smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382526 837651362 /nfs/dbraw/zinc/65/13/62/837651362.db2.gz DOGFRFDPAACNDA-JZXOWHBKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](CCC3CC3)CC2)CC[N@H+]1C ZINC001070964558 837705752 /nfs/dbraw/zinc/70/57/52/837705752.db2.gz PDCOPZPTIYBLIW-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CCC3CC3)CC2)CC[NH+]1C ZINC001070964558 837705754 /nfs/dbraw/zinc/70/57/54/837705754.db2.gz PDCOPZPTIYBLIW-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@H+](CCC3CC3)CC2)CC[NH+]1C ZINC001070964558 837705759 /nfs/dbraw/zinc/70/57/59/837705759.db2.gz PDCOPZPTIYBLIW-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC001070967015 837706095 /nfs/dbraw/zinc/70/60/95/837706095.db2.gz XPJYCBMAMJLIJY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CC3CC3)CC2)CC[NH+]1C ZINC001070967015 837706106 /nfs/dbraw/zinc/70/61/06/837706106.db2.gz XPJYCBMAMJLIJY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)CC[NH+]1C ZINC001070967015 837706111 /nfs/dbraw/zinc/70/61/11/837706111.db2.gz XPJYCBMAMJLIJY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)O)CC1 ZINC001071073343 837725551 /nfs/dbraw/zinc/72/55/51/837725551.db2.gz VMENHFSDSUMBLJ-KYJSFNMBSA-N 2 1 350.463 0.558 20 0 FCADMP CC(C)[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265823 837736354 /nfs/dbraw/zinc/73/63/54/837736354.db2.gz UNEWRSZAQYXDSI-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265823 837736361 /nfs/dbraw/zinc/73/63/61/837736361.db2.gz UNEWRSZAQYXDSI-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265823 837736367 /nfs/dbraw/zinc/73/63/67/837736367.db2.gz UNEWRSZAQYXDSI-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265823 837736375 /nfs/dbraw/zinc/73/63/75/837736375.db2.gz UNEWRSZAQYXDSI-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074711340 837826874 /nfs/dbraw/zinc/82/68/74/837826874.db2.gz XEYGCXFLUCBYBV-BFJAYTPKSA-N 2 1 369.897 0.835 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074711340 837826882 /nfs/dbraw/zinc/82/68/82/837826882.db2.gz XEYGCXFLUCBYBV-BFJAYTPKSA-N 2 1 369.897 0.835 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438183 844053525 /nfs/dbraw/zinc/05/35/25/844053525.db2.gz SXJLIKSZJPQFJC-PRLABOORSA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001100344845 844051526 /nfs/dbraw/zinc/05/15/26/844051526.db2.gz HLXXBXLIFBJBHA-SSHXOBKSSA-N 2 1 359.536 0.636 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438183 844053517 /nfs/dbraw/zinc/05/35/17/844053517.db2.gz SXJLIKSZJPQFJC-PRLABOORSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CCC1 ZINC001101267587 844126140 /nfs/dbraw/zinc/12/61/40/844126140.db2.gz LHSPULRRNHCSIE-WBVHZDCISA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CCC1 ZINC001101267587 844126142 /nfs/dbraw/zinc/12/61/42/844126142.db2.gz LHSPULRRNHCSIE-WBVHZDCISA-N 2 1 371.547 0.686 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267761 844126156 /nfs/dbraw/zinc/12/61/56/844126156.db2.gz RFWRAJPQKMCKDN-SUMDDJOVSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101277347 844130754 /nfs/dbraw/zinc/13/07/54/844130754.db2.gz CZZHXZSRRCYOAX-MDZRGWNJSA-N 2 1 352.523 0.879 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277724 844131180 /nfs/dbraw/zinc/13/11/80/844131180.db2.gz VRLQAMNJPBZKKZ-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313993 844143329 /nfs/dbraw/zinc/14/33/29/844143329.db2.gz RQIHHVNTVPXSEE-RKVPGOIHSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001101348720 844154750 /nfs/dbraw/zinc/15/47/50/844154750.db2.gz FYYAMOJPZVROGP-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001101348720 844154756 /nfs/dbraw/zinc/15/47/56/844154756.db2.gz FYYAMOJPZVROGP-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101350003 844155215 /nfs/dbraw/zinc/15/52/15/844155215.db2.gz PWURRZWVAMEFKO-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101344998 844153354 /nfs/dbraw/zinc/15/33/54/844153354.db2.gz OOCSLYVDCBCSQV-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101344998 844153362 /nfs/dbraw/zinc/15/33/62/844153362.db2.gz OOCSLYVDCBCSQV-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368784 844162828 /nfs/dbraw/zinc/16/28/28/844162828.db2.gz NEHXFHYDRTXDRW-BEFAXECRSA-N 2 1 352.523 0.881 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368784 844162830 /nfs/dbraw/zinc/16/28/30/844162830.db2.gz NEHXFHYDRTXDRW-BEFAXECRSA-N 2 1 352.523 0.881 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368784 844162835 /nfs/dbraw/zinc/16/28/35/844162835.db2.gz NEHXFHYDRTXDRW-BEFAXECRSA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363834 844159732 /nfs/dbraw/zinc/15/97/32/844159732.db2.gz BTLZTVQCTUKYTK-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363834 844159736 /nfs/dbraw/zinc/15/97/36/844159736.db2.gz BTLZTVQCTUKYTK-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363834 844159740 /nfs/dbraw/zinc/15/97/40/844159740.db2.gz BTLZTVQCTUKYTK-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368827 844163708 /nfs/dbraw/zinc/16/37/08/844163708.db2.gz PKLFGGBXLPDFIE-APWZRJJASA-N 2 1 355.523 0.754 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368827 844163709 /nfs/dbraw/zinc/16/37/09/844163709.db2.gz PKLFGGBXLPDFIE-APWZRJJASA-N 2 1 355.523 0.754 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368827 844163712 /nfs/dbraw/zinc/16/37/12/844163712.db2.gz PKLFGGBXLPDFIE-APWZRJJASA-N 2 1 355.523 0.754 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382339 844166841 /nfs/dbraw/zinc/16/68/41/844166841.db2.gz CAZLQJCSTKEUKJ-AOIWGVFYSA-N 2 1 353.507 0.506 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430038 844184161 /nfs/dbraw/zinc/18/41/61/844184161.db2.gz LTCJHULTGSJAJY-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430038 844184166 /nfs/dbraw/zinc/18/41/66/844184166.db2.gz LTCJHULTGSJAJY-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430038 844184171 /nfs/dbraw/zinc/18/41/71/844184171.db2.gz LTCJHULTGSJAJY-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430038 844184173 /nfs/dbraw/zinc/18/41/73/844184173.db2.gz LTCJHULTGSJAJY-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432135 844184183 /nfs/dbraw/zinc/18/41/83/844184183.db2.gz CWVDQVGSVYCUAU-PBHICJAKSA-N 2 1 367.519 0.705 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432135 844184188 /nfs/dbraw/zinc/18/41/88/844184188.db2.gz CWVDQVGSVYCUAU-PBHICJAKSA-N 2 1 367.519 0.705 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101443965 844188588 /nfs/dbraw/zinc/18/85/88/844188588.db2.gz RMWYPNJKAGKLLS-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101443965 844188594 /nfs/dbraw/zinc/18/85/94/844188594.db2.gz RMWYPNJKAGKLLS-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101443965 844188599 /nfs/dbraw/zinc/18/85/99/844188599.db2.gz RMWYPNJKAGKLLS-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001061862228 836719319 /nfs/dbraw/zinc/71/93/19/836719319.db2.gz RCEKXBLLZKEWMC-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474275 844198876 /nfs/dbraw/zinc/19/88/76/844198876.db2.gz QQKCVHZGGKCPTL-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC2)CC[NH+]1C ZINC001064548742 836797916 /nfs/dbraw/zinc/79/79/16/836797916.db2.gz FGMZEDHOZZCGEH-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)O1 ZINC001075940579 837931068 /nfs/dbraw/zinc/93/10/68/837931068.db2.gz WZSYMBPHSBSORU-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)O1 ZINC001075940579 837931075 /nfs/dbraw/zinc/93/10/75/837931075.db2.gz WZSYMBPHSBSORU-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)O1 ZINC001075940579 837931084 /nfs/dbraw/zinc/93/10/84/837931084.db2.gz WZSYMBPHSBSORU-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)O1 ZINC001075940579 837931090 /nfs/dbraw/zinc/93/10/90/837931090.db2.gz WZSYMBPHSBSORU-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001076365563 837990923 /nfs/dbraw/zinc/99/09/23/837990923.db2.gz DIYWHLQVFXNZHI-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001076365563 837990930 /nfs/dbraw/zinc/99/09/30/837990930.db2.gz DIYWHLQVFXNZHI-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467239 838004051 /nfs/dbraw/zinc/00/40/51/838004051.db2.gz FXAOXQSTGQJYDA-HRCADAONSA-N 2 1 367.515 0.050 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467239 838004062 /nfs/dbraw/zinc/00/40/62/838004062.db2.gz FXAOXQSTGQJYDA-HRCADAONSA-N 2 1 367.515 0.050 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076569514 838017423 /nfs/dbraw/zinc/01/74/23/838017423.db2.gz ZGSVBTWFSKCSTF-HRCADAONSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569514 838017436 /nfs/dbraw/zinc/01/74/36/838017436.db2.gz ZGSVBTWFSKCSTF-HRCADAONSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569514 838017447 /nfs/dbraw/zinc/01/74/47/838017447.db2.gz ZGSVBTWFSKCSTF-HRCADAONSA-N 2 1 364.515 0.703 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574464 838018250 /nfs/dbraw/zinc/01/82/50/838018250.db2.gz HPTPZWLBXSLHLQ-OWCLPIDISA-N 2 1 355.504 0.050 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574464 838018260 /nfs/dbraw/zinc/01/82/60/838018260.db2.gz HPTPZWLBXSLHLQ-OWCLPIDISA-N 2 1 355.504 0.050 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001076987137 838195936 /nfs/dbraw/zinc/19/59/36/838195936.db2.gz DJDMUBZFQSMHFV-OWCLPIDISA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001076987137 838195947 /nfs/dbraw/zinc/19/59/47/838195947.db2.gz DJDMUBZFQSMHFV-OWCLPIDISA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001076987137 838195950 /nfs/dbraw/zinc/19/59/50/838195950.db2.gz DJDMUBZFQSMHFV-OWCLPIDISA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001076987137 838195958 /nfs/dbraw/zinc/19/59/58/838195958.db2.gz DJDMUBZFQSMHFV-OWCLPIDISA-N 2 1 352.504 0.720 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007477 838212804 /nfs/dbraw/zinc/21/28/04/838212804.db2.gz OHUZQJODOSFJOF-RRFJBIMHSA-N 2 1 350.488 0.455 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007477 838212818 /nfs/dbraw/zinc/21/28/18/838212818.db2.gz OHUZQJODOSFJOF-RRFJBIMHSA-N 2 1 350.488 0.455 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077148028 838770668 /nfs/dbraw/zinc/77/06/68/838770668.db2.gz UGLVDOSARTZJQZ-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077148028 838770671 /nfs/dbraw/zinc/77/06/71/838770671.db2.gz UGLVDOSARTZJQZ-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001102015320 844373053 /nfs/dbraw/zinc/37/30/53/844373053.db2.gz DHSLFWLUCFSDQN-BZUAXINKSA-N 2 1 358.502 0.875 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001077395178 838947607 /nfs/dbraw/zinc/94/76/07/838947607.db2.gz XOTFSPINSBKILF-BRWVUGGUSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001077395178 838947615 /nfs/dbraw/zinc/94/76/15/838947615.db2.gz XOTFSPINSBKILF-BRWVUGGUSA-N 2 1 350.463 0.558 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554124 839030297 /nfs/dbraw/zinc/03/02/97/839030297.db2.gz ZAXSLCTWIFMGKM-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554124 839030306 /nfs/dbraw/zinc/03/03/06/839030306.db2.gz ZAXSLCTWIFMGKM-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554124 839030313 /nfs/dbraw/zinc/03/03/13/839030313.db2.gz ZAXSLCTWIFMGKM-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102040488 844392094 /nfs/dbraw/zinc/39/20/94/844392094.db2.gz LLQHTYMSJVSURO-FGTMMUONSA-N 2 1 355.523 0.657 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001102040488 844392105 /nfs/dbraw/zinc/39/21/05/844392105.db2.gz LLQHTYMSJVSURO-FGTMMUONSA-N 2 1 355.523 0.657 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001102040488 844392111 /nfs/dbraw/zinc/39/21/11/844392111.db2.gz LLQHTYMSJVSURO-FGTMMUONSA-N 2 1 355.523 0.657 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047390 844393845 /nfs/dbraw/zinc/39/38/45/844393845.db2.gz FRKFHEMDSGGBGJ-KYJSFNMBSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047535 844393971 /nfs/dbraw/zinc/39/39/71/844393971.db2.gz KOEZLLSZXVAAEA-QGPMSJSTSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077582861 839053387 /nfs/dbraw/zinc/05/33/87/839053387.db2.gz WEILAYUAFCMDPF-NUEKZKHPSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077582861 839053395 /nfs/dbraw/zinc/05/33/95/839053395.db2.gz WEILAYUAFCMDPF-NUEKZKHPSA-N 2 1 351.447 0.543 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045945 844394575 /nfs/dbraw/zinc/39/45/75/844394575.db2.gz DHSAQBAFWWCJEC-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102048945 844395616 /nfs/dbraw/zinc/39/56/16/844395616.db2.gz WBXMUAPGYBZSTD-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102048945 844395627 /nfs/dbraw/zinc/39/56/27/844395627.db2.gz WBXMUAPGYBZSTD-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102048945 844395637 /nfs/dbraw/zinc/39/56/37/844395637.db2.gz WBXMUAPGYBZSTD-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048452 844396192 /nfs/dbraw/zinc/39/61/92/844396192.db2.gz CDKJKTHBWKYILK-BMFZPTHFSA-N 2 1 351.495 0.036 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059577 844399801 /nfs/dbraw/zinc/39/98/01/844399801.db2.gz VWUCHVUUMLRHCH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059577 844399808 /nfs/dbraw/zinc/39/98/08/844399808.db2.gz VWUCHVUUMLRHCH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059577 844399813 /nfs/dbraw/zinc/39/98/13/844399813.db2.gz VWUCHVUUMLRHCH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C2)n1C ZINC001102085799 844407724 /nfs/dbraw/zinc/40/77/24/844407724.db2.gz BPJOBTQKOHTKQN-RBSFLKMASA-N 2 1 350.511 0.902 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C2)n1C ZINC001102085799 844407727 /nfs/dbraw/zinc/40/77/27/844407727.db2.gz BPJOBTQKOHTKQN-RBSFLKMASA-N 2 1 350.511 0.902 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001078012245 839291505 /nfs/dbraw/zinc/29/15/05/839291505.db2.gz YPWNVNRMYVPNMI-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190502 844439991 /nfs/dbraw/zinc/43/99/91/844439991.db2.gz ASLJIRWSRFKCPQ-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698067 839576917 /nfs/dbraw/zinc/57/69/17/839576917.db2.gz IPQWGIRJPKOSQF-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698067 839576925 /nfs/dbraw/zinc/57/69/25/839576925.db2.gz IPQWGIRJPKOSQF-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726442 839581627 /nfs/dbraw/zinc/58/16/27/839581627.db2.gz VTUAEQZARVWNTH-MUIFIZLQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726442 839581632 /nfs/dbraw/zinc/58/16/32/839581632.db2.gz VTUAEQZARVWNTH-MUIFIZLQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726442 839581639 /nfs/dbraw/zinc/58/16/39/839581639.db2.gz VTUAEQZARVWNTH-MUIFIZLQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726442 839581642 /nfs/dbraw/zinc/58/16/42/839581642.db2.gz VTUAEQZARVWNTH-MUIFIZLQSA-N 2 1 350.507 0.822 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804919 839596056 /nfs/dbraw/zinc/59/60/56/839596056.db2.gz DXOIBXVLNUSENV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804919 839596063 /nfs/dbraw/zinc/59/60/63/839596063.db2.gz DXOIBXVLNUSENV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804919 839596072 /nfs/dbraw/zinc/59/60/72/839596072.db2.gz DXOIBXVLNUSENV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804919 839596078 /nfs/dbraw/zinc/59/60/78/839596078.db2.gz DXOIBXVLNUSENV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001079859802 839612542 /nfs/dbraw/zinc/61/25/42/839612542.db2.gz KYJPJSVDLCUQTD-GDBMZVCRSA-N 2 1 350.507 0.728 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285510 844458199 /nfs/dbraw/zinc/45/81/99/844458199.db2.gz UHLDAYMOFZAHOI-FVQBIDKESA-N 2 1 353.463 0.646 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287335 844458775 /nfs/dbraw/zinc/45/87/75/844458775.db2.gz ZFYPJUMWJQVCME-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294216 844459972 /nfs/dbraw/zinc/45/99/72/844459972.db2.gz OTLGRXHRVGDTHU-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312536 844464852 /nfs/dbraw/zinc/46/48/52/844464852.db2.gz BPNMOUGMSCKSRY-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080457629 839728689 /nfs/dbraw/zinc/72/86/89/839728689.db2.gz GHCHBPWACWZSQE-IIAWOOMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080457629 839728695 /nfs/dbraw/zinc/72/86/95/839728695.db2.gz GHCHBPWACWZSQE-IIAWOOMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001080457629 839728703 /nfs/dbraw/zinc/72/87/03/839728703.db2.gz GHCHBPWACWZSQE-IIAWOOMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080457629 839728710 /nfs/dbraw/zinc/72/87/10/839728710.db2.gz GHCHBPWACWZSQE-IIAWOOMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102315800 844466495 /nfs/dbraw/zinc/46/64/95/844466495.db2.gz DIGFONVQUBANIA-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554243 839744800 /nfs/dbraw/zinc/74/48/00/839744800.db2.gz HSDKNMVZBOEFSS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554243 839744813 /nfs/dbraw/zinc/74/48/13/839744813.db2.gz HSDKNMVZBOEFSS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001080593071 839755366 /nfs/dbraw/zinc/75/53/66/839755366.db2.gz HRUGAHHIEVREHQ-HYVNUMGLSA-N 2 1 351.495 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783515 839798695 /nfs/dbraw/zinc/79/86/95/839798695.db2.gz UWMKUCRAAGQYNK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783515 839798706 /nfs/dbraw/zinc/79/87/06/839798706.db2.gz UWMKUCRAAGQYNK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783515 839798717 /nfs/dbraw/zinc/79/87/17/839798717.db2.gz UWMKUCRAAGQYNK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C2)n1C ZINC001102376901 844480498 /nfs/dbraw/zinc/48/04/98/844480498.db2.gz BPJOBTQKOHTKQN-KFWWJZLASA-N 2 1 350.511 0.902 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C2)n1C ZINC001102376901 844480501 /nfs/dbraw/zinc/48/05/01/844480501.db2.gz BPJOBTQKOHTKQN-KFWWJZLASA-N 2 1 350.511 0.902 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102377159 844480564 /nfs/dbraw/zinc/48/05/64/844480564.db2.gz RANIBVDDQWBFRX-OAGGEKHMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102377159 844480567 /nfs/dbraw/zinc/48/05/67/844480567.db2.gz RANIBVDDQWBFRX-OAGGEKHMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102377159 844480570 /nfs/dbraw/zinc/48/05/70/844480570.db2.gz RANIBVDDQWBFRX-OAGGEKHMSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894061 840090416 /nfs/dbraw/zinc/09/04/16/840090416.db2.gz JVKBCSOVZFPMNR-BRWVUGGUSA-N 2 1 351.491 0.999 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894970 840091841 /nfs/dbraw/zinc/09/18/41/840091841.db2.gz LSVJOGISZRAING-GVDBMIGSSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468536 844510304 /nfs/dbraw/zinc/51/03/04/844510304.db2.gz NHYSEXBLIGRBAK-HUUCEWRRSA-N 2 1 363.449 0.675 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468536 844510309 /nfs/dbraw/zinc/51/03/09/844510309.db2.gz NHYSEXBLIGRBAK-HUUCEWRRSA-N 2 1 363.449 0.675 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135069 840204266 /nfs/dbraw/zinc/20/42/66/840204266.db2.gz NMXCLKFHMIPMGY-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135069 840204277 /nfs/dbraw/zinc/20/42/77/840204277.db2.gz NMXCLKFHMIPMGY-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135069 840204288 /nfs/dbraw/zinc/20/42/88/840204288.db2.gz NMXCLKFHMIPMGY-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001082347059 840330576 /nfs/dbraw/zinc/33/05/76/840330576.db2.gz OIZWXXXOZVNVBR-LMMKCTJWSA-N 2 1 351.491 0.714 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001082347059 840330584 /nfs/dbraw/zinc/33/05/84/840330584.db2.gz OIZWXXXOZVNVBR-LMMKCTJWSA-N 2 1 351.491 0.714 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001082347059 840330589 /nfs/dbraw/zinc/33/05/89/840330589.db2.gz OIZWXXXOZVNVBR-LMMKCTJWSA-N 2 1 351.491 0.714 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102492808 844528513 /nfs/dbraw/zinc/52/85/13/844528513.db2.gz HNAOYLUIRVMPPR-KBAYOESNSA-N 2 1 355.523 0.798 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368544 840353811 /nfs/dbraw/zinc/35/38/11/840353811.db2.gz GPOLGAMFTSDRND-RRFJBIMHSA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368544 840353820 /nfs/dbraw/zinc/35/38/20/840353820.db2.gz GPOLGAMFTSDRND-RRFJBIMHSA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368544 840353831 /nfs/dbraw/zinc/35/38/31/840353831.db2.gz GPOLGAMFTSDRND-RRFJBIMHSA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368544 840353841 /nfs/dbraw/zinc/35/38/41/840353841.db2.gz GPOLGAMFTSDRND-RRFJBIMHSA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368795 840355471 /nfs/dbraw/zinc/35/54/71/840355471.db2.gz NHGLZHQNUKZQKI-RBSFLKMASA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368795 840355483 /nfs/dbraw/zinc/35/54/83/840355483.db2.gz NHGLZHQNUKZQKI-RBSFLKMASA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368795 840355492 /nfs/dbraw/zinc/35/54/92/840355492.db2.gz NHGLZHQNUKZQKI-RBSFLKMASA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371490 840360389 /nfs/dbraw/zinc/36/03/89/840360389.db2.gz LPZJIMBWOUZVLJ-IAGOWNOFSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371490 840360400 /nfs/dbraw/zinc/36/04/00/840360400.db2.gz LPZJIMBWOUZVLJ-IAGOWNOFSA-N 2 1 350.463 0.824 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102497413 844530905 /nfs/dbraw/zinc/53/09/05/844530905.db2.gz RWFLJFUPRUTNPK-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102497413 844530908 /nfs/dbraw/zinc/53/09/08/844530908.db2.gz RWFLJFUPRUTNPK-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102497413 844530909 /nfs/dbraw/zinc/53/09/09/844530909.db2.gz RWFLJFUPRUTNPK-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082448064 840415438 /nfs/dbraw/zinc/41/54/38/840415438.db2.gz BVNQODSDDHKHKR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082507367 840442145 /nfs/dbraw/zinc/44/21/45/840442145.db2.gz NYRIVQGSDQARPE-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC001082590373 840478976 /nfs/dbraw/zinc/47/89/76/840478976.db2.gz SOCLBUVLBMSOFK-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC001082590373 840478985 /nfs/dbraw/zinc/47/89/85/840478985.db2.gz SOCLBUVLBMSOFK-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082595385 840482121 /nfs/dbraw/zinc/48/21/21/840482121.db2.gz JYWJCIZKFFNUMM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513496 844544490 /nfs/dbraw/zinc/54/44/90/844544490.db2.gz MZHAMIDKJYISBU-MCIONIFRSA-N 2 1 369.428 0.562 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)s1 ZINC001102513585 844544720 /nfs/dbraw/zinc/54/47/20/844544720.db2.gz RRBFWBLTWIWDSL-ZIAGYGMSSA-N 2 1 369.535 0.863 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)s1 ZINC001102513585 844544725 /nfs/dbraw/zinc/54/47/25/844544725.db2.gz RRBFWBLTWIWDSL-ZIAGYGMSSA-N 2 1 369.535 0.863 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513753 844544970 /nfs/dbraw/zinc/54/49/70/844544970.db2.gz ADRRJCLXSLEHRH-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513753 844544971 /nfs/dbraw/zinc/54/49/71/844544971.db2.gz ADRRJCLXSLEHRH-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513753 844544972 /nfs/dbraw/zinc/54/49/72/844544972.db2.gz ADRRJCLXSLEHRH-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514560 844546240 /nfs/dbraw/zinc/54/62/40/844546240.db2.gz BGCPSFDELZHXTC-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514560 844546243 /nfs/dbraw/zinc/54/62/43/844546243.db2.gz BGCPSFDELZHXTC-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514560 844546248 /nfs/dbraw/zinc/54/62/48/844546248.db2.gz BGCPSFDELZHXTC-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514039 844546480 /nfs/dbraw/zinc/54/64/80/844546480.db2.gz KLBNUOWPNRQPMI-HZPDHXFCSA-N 2 1 371.547 0.591 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082743401 840543594 /nfs/dbraw/zinc/54/35/94/840543594.db2.gz YNKHUTVRVSATKP-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082743711 840544878 /nfs/dbraw/zinc/54/48/78/840544878.db2.gz WVUFFQHIQBJCNC-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]21 ZINC001083024703 840661023 /nfs/dbraw/zinc/66/10/23/840661023.db2.gz WWSKRDJJRGMKNW-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083024703 840661027 /nfs/dbraw/zinc/66/10/27/840661027.db2.gz WWSKRDJJRGMKNW-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083024703 840661031 /nfs/dbraw/zinc/66/10/31/840661031.db2.gz WWSKRDJJRGMKNW-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235272 840818713 /nfs/dbraw/zinc/81/87/13/840818713.db2.gz VPSKOEPBTMTBFT-HYVNUMGLSA-N 2 1 357.470 0.757 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600387 844591715 /nfs/dbraw/zinc/59/17/15/844591715.db2.gz CPGFZZGPOGPYSO-NVXWUHKLSA-N 2 1 356.511 0.163 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600387 844591721 /nfs/dbraw/zinc/59/17/21/844591721.db2.gz CPGFZZGPOGPYSO-NVXWUHKLSA-N 2 1 356.511 0.163 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600387 844591725 /nfs/dbraw/zinc/59/17/25/844591725.db2.gz CPGFZZGPOGPYSO-NVXWUHKLSA-N 2 1 356.511 0.163 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385768 840957216 /nfs/dbraw/zinc/95/72/16/840957216.db2.gz YKQBAJWNYXSZTH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385768 840957227 /nfs/dbraw/zinc/95/72/27/840957227.db2.gz YKQBAJWNYXSZTH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385768 840957236 /nfs/dbraw/zinc/95/72/36/840957236.db2.gz YKQBAJWNYXSZTH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385768 840957242 /nfs/dbraw/zinc/95/72/42/840957242.db2.gz YKQBAJWNYXSZTH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)O1 ZINC001083565163 841175269 /nfs/dbraw/zinc/17/52/69/841175269.db2.gz DVZYYCPUTDHSLV-DMRZNYOFSA-N 2 1 353.488 0.171 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)O1 ZINC001083565163 841175277 /nfs/dbraw/zinc/17/52/77/841175277.db2.gz DVZYYCPUTDHSLV-DMRZNYOFSA-N 2 1 353.488 0.171 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)O1 ZINC001083565163 841175288 /nfs/dbraw/zinc/17/52/88/841175288.db2.gz DVZYYCPUTDHSLV-DMRZNYOFSA-N 2 1 353.488 0.171 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)O1 ZINC001083565163 841175298 /nfs/dbraw/zinc/17/52/98/841175298.db2.gz DVZYYCPUTDHSLV-DMRZNYOFSA-N 2 1 353.488 0.171 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083669202 841293079 /nfs/dbraw/zinc/29/30/79/841293079.db2.gz XYHAGHHJVXKEQG-FGTMMUONSA-N 2 1 351.491 0.449 20 0 FCADMP CC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833367 861218499 /nfs/dbraw/zinc/21/84/99/861218499.db2.gz CIULDASTJJPPSJ-HNAYVOBHSA-N 2 1 351.491 0.999 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056865 841671606 /nfs/dbraw/zinc/67/16/06/841671606.db2.gz RCAXVQXKZUWARW-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056865 841671609 /nfs/dbraw/zinc/67/16/09/841671609.db2.gz RCAXVQXKZUWARW-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056865 841671613 /nfs/dbraw/zinc/67/16/13/841671613.db2.gz RCAXVQXKZUWARW-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056865 841671617 /nfs/dbraw/zinc/67/16/17/841671617.db2.gz RCAXVQXKZUWARW-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001084059763 841673857 /nfs/dbraw/zinc/67/38/57/841673857.db2.gz XVWQXSKXLQSQAJ-IKGGRYGDSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001084059763 841673868 /nfs/dbraw/zinc/67/38/68/841673868.db2.gz XVWQXSKXLQSQAJ-IKGGRYGDSA-N 2 1 350.463 0.558 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078859 841689928 /nfs/dbraw/zinc/68/99/28/841689928.db2.gz KXJHEVZPRNYVME-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078859 841689938 /nfs/dbraw/zinc/68/99/38/841689938.db2.gz KXJHEVZPRNYVME-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078859 841689944 /nfs/dbraw/zinc/68/99/44/841689944.db2.gz KXJHEVZPRNYVME-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078859 841689948 /nfs/dbraw/zinc/68/99/48/841689948.db2.gz KXJHEVZPRNYVME-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](CC)CC1 ZINC001275877488 861241031 /nfs/dbraw/zinc/24/10/31/861241031.db2.gz CFNNKGHLLKRJCU-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001275878886 861244518 /nfs/dbraw/zinc/24/45/18/861244518.db2.gz MPWMHDNAYCDSLI-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878886 861244527 /nfs/dbraw/zinc/24/45/27/861244527.db2.gz MPWMHDNAYCDSLI-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878886 861244534 /nfs/dbraw/zinc/24/45/34/861244534.db2.gz MPWMHDNAYCDSLI-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001275878886 861244541 /nfs/dbraw/zinc/24/45/41/861244541.db2.gz MPWMHDNAYCDSLI-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275878886 861244546 /nfs/dbraw/zinc/24/45/46/861244546.db2.gz MPWMHDNAYCDSLI-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1)[NH+](C)C ZINC001084970406 841972590 /nfs/dbraw/zinc/97/25/90/841972590.db2.gz DOOWOUTVQOONFR-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001084971089 841973931 /nfs/dbraw/zinc/97/39/31/841973931.db2.gz MASZHFODGPCKQI-SJORKVTESA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085033092 841994717 /nfs/dbraw/zinc/99/47/17/841994717.db2.gz QBEKAINHEBIFIJ-QWQRMKEZSA-N 2 1 354.470 0.607 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085033092 841994720 /nfs/dbraw/zinc/99/47/20/841994720.db2.gz QBEKAINHEBIFIJ-QWQRMKEZSA-N 2 1 354.470 0.607 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085033092 841994722 /nfs/dbraw/zinc/99/47/22/841994722.db2.gz QBEKAINHEBIFIJ-QWQRMKEZSA-N 2 1 354.470 0.607 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085033092 841994723 /nfs/dbraw/zinc/99/47/23/841994723.db2.gz QBEKAINHEBIFIJ-QWQRMKEZSA-N 2 1 354.470 0.607 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)O1 ZINC001085243052 842054703 /nfs/dbraw/zinc/05/47/03/842054703.db2.gz SIXFCORVSMRJLJ-NMFUWQPSSA-N 2 1 353.492 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)O1 ZINC001085243052 842054711 /nfs/dbraw/zinc/05/47/11/842054711.db2.gz SIXFCORVSMRJLJ-NMFUWQPSSA-N 2 1 353.492 0.774 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085422521 842098736 /nfs/dbraw/zinc/09/87/36/842098736.db2.gz WGUXCTUDKDSXLH-RRFJBIMHSA-N 2 1 352.458 0.716 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085422521 842098749 /nfs/dbraw/zinc/09/87/49/842098749.db2.gz WGUXCTUDKDSXLH-RRFJBIMHSA-N 2 1 352.458 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090053 842119498 /nfs/dbraw/zinc/11/94/98/842119498.db2.gz FBJRHIKECXHBOL-BPKGMFCQSA-N 2 1 371.547 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001086089479 842119739 /nfs/dbraw/zinc/11/97/39/842119739.db2.gz BCUKMQZWOZIZBW-VVLHAWIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086370898 842128624 /nfs/dbraw/zinc/12/86/24/842128624.db2.gz FBJRHIKECXHBOL-WRQOLXDDSA-N 2 1 371.547 0.636 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001086664881 842145723 /nfs/dbraw/zinc/14/57/23/842145723.db2.gz HVQTWQUSWHYOJD-IAOVAPTHSA-N 2 1 350.438 0.926 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001086664881 842145731 /nfs/dbraw/zinc/14/57/31/842145731.db2.gz HVQTWQUSWHYOJD-IAOVAPTHSA-N 2 1 350.438 0.926 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086734167 842161821 /nfs/dbraw/zinc/16/18/21/842161821.db2.gz VYIGUBMYSDRKGL-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086734934 842162338 /nfs/dbraw/zinc/16/23/38/842162338.db2.gz ZHDWXJWZOQTIII-ARFHVFGLSA-N 2 1 351.495 0.370 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086882666 842191307 /nfs/dbraw/zinc/19/13/07/842191307.db2.gz DZPGCKPYNPCECD-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087096387 842287098 /nfs/dbraw/zinc/28/70/98/842287098.db2.gz KPPZDZXNGISGAB-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087101014 842288692 /nfs/dbraw/zinc/28/86/92/842288692.db2.gz PIAKQVPHOSMCOQ-HUUCEWRRSA-N 2 1 351.451 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087100269 842289689 /nfs/dbraw/zinc/28/96/89/842289689.db2.gz MRQWFIDTKVWQNU-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCN1CCNC1=O ZINC001087625781 842381213 /nfs/dbraw/zinc/38/12/13/842381213.db2.gz UXELFTHYGDIUIQ-XHSDSOJGSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCN1CCNC1=O ZINC001087625781 842381221 /nfs/dbraw/zinc/38/12/21/842381221.db2.gz UXELFTHYGDIUIQ-XHSDSOJGSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCN1CCNC1=O ZINC001087625781 842381235 /nfs/dbraw/zinc/38/12/35/842381235.db2.gz UXELFTHYGDIUIQ-XHSDSOJGSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCN1CCNC1=O ZINC001087625781 842381242 /nfs/dbraw/zinc/38/12/42/842381242.db2.gz UXELFTHYGDIUIQ-XHSDSOJGSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087712235 842413057 /nfs/dbraw/zinc/41/30/57/842413057.db2.gz WKZAMZNXCZDTPR-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001088166952 842549672 /nfs/dbraw/zinc/54/96/72/842549672.db2.gz ZSNKJVASPQDXNV-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088166952 842549679 /nfs/dbraw/zinc/54/96/79/842549679.db2.gz ZSNKJVASPQDXNV-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088166952 842549681 /nfs/dbraw/zinc/54/96/81/842549681.db2.gz ZSNKJVASPQDXNV-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170657 842550670 /nfs/dbraw/zinc/55/06/70/842550670.db2.gz ZZAOPPLTBQVJBB-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170657 842550679 /nfs/dbraw/zinc/55/06/79/842550679.db2.gz ZZAOPPLTBQVJBB-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170657 842550684 /nfs/dbraw/zinc/55/06/84/842550684.db2.gz ZZAOPPLTBQVJBB-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170657 842550694 /nfs/dbraw/zinc/55/06/94/842550694.db2.gz ZZAOPPLTBQVJBB-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579277 842616851 /nfs/dbraw/zinc/61/68/51/842616851.db2.gz XXEGYDYOEKQEDV-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579277 842616855 /nfs/dbraw/zinc/61/68/55/842616855.db2.gz XXEGYDYOEKQEDV-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579277 842616861 /nfs/dbraw/zinc/61/68/61/842616861.db2.gz XXEGYDYOEKQEDV-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579277 842616865 /nfs/dbraw/zinc/61/68/65/842616865.db2.gz XXEGYDYOEKQEDV-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810104 842683104 /nfs/dbraw/zinc/68/31/04/842683104.db2.gz GDGNCJBDJDBJOC-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810104 842683110 /nfs/dbraw/zinc/68/31/10/842683110.db2.gz GDGNCJBDJDBJOC-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810104 842683116 /nfs/dbraw/zinc/68/31/16/842683116.db2.gz GDGNCJBDJDBJOC-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810104 842683118 /nfs/dbraw/zinc/68/31/18/842683118.db2.gz GDGNCJBDJDBJOC-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811065 842683816 /nfs/dbraw/zinc/68/38/16/842683816.db2.gz JPRMUQXQINXNIC-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811065 842683822 /nfs/dbraw/zinc/68/38/22/842683822.db2.gz JPRMUQXQINXNIC-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811065 842683832 /nfs/dbraw/zinc/68/38/32/842683832.db2.gz JPRMUQXQINXNIC-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811065 842683838 /nfs/dbraw/zinc/68/38/38/842683838.db2.gz JPRMUQXQINXNIC-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038619 842751268 /nfs/dbraw/zinc/75/12/68/842751268.db2.gz DTGUGVXATNNEBP-KFWWJZLASA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038619 842751270 /nfs/dbraw/zinc/75/12/70/842751270.db2.gz DTGUGVXATNNEBP-KFWWJZLASA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089038619 842751275 /nfs/dbraw/zinc/75/12/75/842751275.db2.gz DTGUGVXATNNEBP-KFWWJZLASA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089038619 842751277 /nfs/dbraw/zinc/75/12/77/842751277.db2.gz DTGUGVXATNNEBP-KFWWJZLASA-N 2 1 352.504 0.749 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942075 842775550 /nfs/dbraw/zinc/77/55/50/842775550.db2.gz POXGTWMEKCGANG-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942075 842775557 /nfs/dbraw/zinc/77/55/57/842775557.db2.gz POXGTWMEKCGANG-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942075 842775564 /nfs/dbraw/zinc/77/55/64/842775564.db2.gz POXGTWMEKCGANG-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721205 843081668 /nfs/dbraw/zinc/08/16/68/843081668.db2.gz WCTRMZKHDYMFNS-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721205 843081683 /nfs/dbraw/zinc/08/16/83/843081683.db2.gz WCTRMZKHDYMFNS-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721205 843081691 /nfs/dbraw/zinc/08/16/91/843081691.db2.gz WCTRMZKHDYMFNS-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012994 843141267 /nfs/dbraw/zinc/14/12/67/843141267.db2.gz FZDAAVBFUJENGM-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012994 843141275 /nfs/dbraw/zinc/14/12/75/843141275.db2.gz FZDAAVBFUJENGM-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012994 843141281 /nfs/dbraw/zinc/14/12/81/843141281.db2.gz FZDAAVBFUJENGM-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012994 843141285 /nfs/dbraw/zinc/14/12/85/843141285.db2.gz FZDAAVBFUJENGM-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015124 843141383 /nfs/dbraw/zinc/14/13/83/843141383.db2.gz JTCBHUFKKVAWOR-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015124 843141386 /nfs/dbraw/zinc/14/13/86/843141386.db2.gz JTCBHUFKKVAWOR-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015124 843141390 /nfs/dbraw/zinc/14/13/90/843141390.db2.gz JTCBHUFKKVAWOR-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071907 843153071 /nfs/dbraw/zinc/15/30/71/843153071.db2.gz JJACOLPCVWALPB-MDZRGWNJSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001092300008 843182646 /nfs/dbraw/zinc/18/26/46/843182646.db2.gz OLDCKTVVUQTPER-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001092300008 843182652 /nfs/dbraw/zinc/18/26/52/843182652.db2.gz OLDCKTVVUQTPER-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721017 843285323 /nfs/dbraw/zinc/28/53/23/843285323.db2.gz DNGGXEWFYZCSAP-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724349 843286576 /nfs/dbraw/zinc/28/65/76/843286576.db2.gz LGTWFZMZXOVWDA-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724349 843286590 /nfs/dbraw/zinc/28/65/90/843286590.db2.gz LGTWFZMZXOVWDA-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724349 843286601 /nfs/dbraw/zinc/28/66/01/843286601.db2.gz LGTWFZMZXOVWDA-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724349 843286614 /nfs/dbraw/zinc/28/66/14/843286614.db2.gz LGTWFZMZXOVWDA-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1C ZINC001092758613 843294294 /nfs/dbraw/zinc/29/42/94/843294294.db2.gz XCRVYDKZIMYZLQ-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001092758613 843294311 /nfs/dbraw/zinc/29/43/11/843294311.db2.gz XCRVYDKZIMYZLQ-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001092758613 843294321 /nfs/dbraw/zinc/29/43/21/843294321.db2.gz XCRVYDKZIMYZLQ-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306874 861403432 /nfs/dbraw/zinc/40/34/32/861403432.db2.gz GGHVYLNKSCTVDK-HKUYNNGSSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092910069 843338899 /nfs/dbraw/zinc/33/88/99/843338899.db2.gz QZHKLFRYIONCDH-FXUDXRNXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001092910069 843338907 /nfs/dbraw/zinc/33/89/07/843338907.db2.gz QZHKLFRYIONCDH-FXUDXRNXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001092910069 843338919 /nfs/dbraw/zinc/33/89/19/843338919.db2.gz QZHKLFRYIONCDH-FXUDXRNXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120107 843393194 /nfs/dbraw/zinc/39/31/94/843393194.db2.gz BNXQPAGFKZEEAH-CKEIUWERSA-N 2 1 350.507 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OC3C[NH+](C[C@H](C)O)C3)CC2)CC[N@@H+]1C ZINC001093537448 843441651 /nfs/dbraw/zinc/44/16/51/843441651.db2.gz UYGMFDXTTVZJRI-JCGIZDLHSA-N 2 1 353.507 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OC3C[NH+](C[C@H](C)O)C3)CC2)CC[N@H+]1C ZINC001093537448 843441661 /nfs/dbraw/zinc/44/16/61/843441661.db2.gz UYGMFDXTTVZJRI-JCGIZDLHSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001093673783 843454410 /nfs/dbraw/zinc/45/44/10/843454410.db2.gz XYAYGLLZCKYDKH-OIISXLGYSA-N 2 1 371.547 0.590 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691272 843457098 /nfs/dbraw/zinc/45/70/98/843457098.db2.gz OOWFHCZWGHNIGV-UMVBOHGHSA-N 2 1 368.503 0.666 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691272 843457105 /nfs/dbraw/zinc/45/71/05/843457105.db2.gz OOWFHCZWGHNIGV-UMVBOHGHSA-N 2 1 368.503 0.666 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001094111017 843516938 /nfs/dbraw/zinc/51/69/38/843516938.db2.gz VEYXRUNSTVTHFN-ZIAGYGMSSA-N 2 1 353.492 0.445 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001094231795 843535516 /nfs/dbraw/zinc/53/55/16/843535516.db2.gz CAPKFMKQAZDUBT-MCIONIFRSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001094231795 843535530 /nfs/dbraw/zinc/53/55/30/843535530.db2.gz CAPKFMKQAZDUBT-MCIONIFRSA-N 2 1 353.492 0.443 20 0 FCADMP COC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293301 843543213 /nfs/dbraw/zinc/54/32/13/843543213.db2.gz JAHMXNJMFYNRNR-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP COC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293301 843543220 /nfs/dbraw/zinc/54/32/20/843543220.db2.gz JAHMXNJMFYNRNR-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096540550 843800083 /nfs/dbraw/zinc/80/00/83/843800083.db2.gz VECKDIYGYUOILI-FZKCQIBNSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096540550 843800099 /nfs/dbraw/zinc/80/00/99/843800099.db2.gz VECKDIYGYUOILI-FZKCQIBNSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096540550 843800117 /nfs/dbraw/zinc/80/01/17/843800117.db2.gz VECKDIYGYUOILI-FZKCQIBNSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096540550 843800134 /nfs/dbraw/zinc/80/01/34/843800134.db2.gz VECKDIYGYUOILI-FZKCQIBNSA-N 2 1 364.515 0.891 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC)C3)C1 ZINC001098991173 843953414 /nfs/dbraw/zinc/95/34/14/843953414.db2.gz QXVJUPHQFQYNMV-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC)C3)C1 ZINC001098991173 843953420 /nfs/dbraw/zinc/95/34/20/843953420.db2.gz QXVJUPHQFQYNMV-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC)C3)C1 ZINC001098991173 843953425 /nfs/dbraw/zinc/95/34/25/843953425.db2.gz QXVJUPHQFQYNMV-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC)C3)C1 ZINC001098991173 843953433 /nfs/dbraw/zinc/95/34/33/843953433.db2.gz QXVJUPHQFQYNMV-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)CC1 ZINC001099010848 843956142 /nfs/dbraw/zinc/95/61/42/843956142.db2.gz PGWHKPAOAZDXAL-RDJZCZTQSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)CC1 ZINC001099010848 843956145 /nfs/dbraw/zinc/95/61/45/843956145.db2.gz PGWHKPAOAZDXAL-RDJZCZTQSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099223184 843978430 /nfs/dbraw/zinc/97/84/30/843978430.db2.gz ICABBQOHLRPZSI-MCIONIFRSA-N 2 1 359.396 0.956 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780753 844646509 /nfs/dbraw/zinc/64/65/09/844646509.db2.gz MSTSPOORXGZLTK-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780753 844646512 /nfs/dbraw/zinc/64/65/12/844646512.db2.gz MSTSPOORXGZLTK-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780753 844646516 /nfs/dbraw/zinc/64/65/16/844646516.db2.gz MSTSPOORXGZLTK-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818846 844653294 /nfs/dbraw/zinc/65/32/94/844653294.db2.gz JXITXTLMOBVJHF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818846 844653297 /nfs/dbraw/zinc/65/32/97/844653297.db2.gz JXITXTLMOBVJHF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818846 844653300 /nfs/dbraw/zinc/65/33/00/844653300.db2.gz JXITXTLMOBVJHF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818846 844653304 /nfs/dbraw/zinc/65/33/04/844653304.db2.gz JXITXTLMOBVJHF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090160 844698500 /nfs/dbraw/zinc/69/85/00/844698500.db2.gz MZFWCSJVZWNYIQ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090160 844698504 /nfs/dbraw/zinc/69/85/04/844698504.db2.gz MZFWCSJVZWNYIQ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090160 844698509 /nfs/dbraw/zinc/69/85/09/844698509.db2.gz MZFWCSJVZWNYIQ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C)[NH+](C)C ZINC001103111559 844702364 /nfs/dbraw/zinc/70/23/64/844702364.db2.gz BDQJVDFCNXPOBH-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+](C)C ZINC001103111974 844702747 /nfs/dbraw/zinc/70/27/47/844702747.db2.gz YFJWPZWFANWKLC-RKVPGOIHSA-N 2 1 352.523 0.925 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268051 844729005 /nfs/dbraw/zinc/72/90/05/844729005.db2.gz OYCMXRUEGLASOU-KYJSFNMBSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374235 844744343 /nfs/dbraw/zinc/74/43/43/844744343.db2.gz ATUKSWLMBNRBSE-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374594 844744913 /nfs/dbraw/zinc/74/49/13/844744913.db2.gz KGIZYUIVLMMMDN-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395988 844751386 /nfs/dbraw/zinc/75/13/86/844751386.db2.gz XHYJIVMHSADHDN-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436382 844757364 /nfs/dbraw/zinc/75/73/64/844757364.db2.gz VWPZVEWTUKWMLK-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436382 844757368 /nfs/dbraw/zinc/75/73/68/844757368.db2.gz VWPZVEWTUKWMLK-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103436382 844757372 /nfs/dbraw/zinc/75/73/72/844757372.db2.gz VWPZVEWTUKWMLK-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436251 844757760 /nfs/dbraw/zinc/75/77/60/844757760.db2.gz QHPFOGVGCUUUKQ-ARFHVFGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436251 844757767 /nfs/dbraw/zinc/75/77/67/844757767.db2.gz QHPFOGVGCUUUKQ-ARFHVFGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436251 844757776 /nfs/dbraw/zinc/75/77/76/844757776.db2.gz QHPFOGVGCUUUKQ-ARFHVFGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC3CCOCC3)C2)C1 ZINC001276608339 861496094 /nfs/dbraw/zinc/49/60/94/861496094.db2.gz CHOSGJMRGJAYBY-IBGZPJMESA-N 2 1 353.507 0.916 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC3CCOCC3)C2)C1 ZINC001276608339 861496101 /nfs/dbraw/zinc/49/61/01/861496101.db2.gz CHOSGJMRGJAYBY-IBGZPJMESA-N 2 1 353.507 0.916 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642201 844793896 /nfs/dbraw/zinc/79/38/96/844793896.db2.gz UKDJLQSCZBKSSB-HZPDHXFCSA-N 2 1 351.495 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646937 844794742 /nfs/dbraw/zinc/79/47/42/844794742.db2.gz MYGIMXHRDURYSE-HUUCEWRRSA-N 2 1 357.520 0.201 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103663778 844797370 /nfs/dbraw/zinc/79/73/70/844797370.db2.gz UFGTYJDJSOSSNN-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103663778 844797377 /nfs/dbraw/zinc/79/73/77/844797377.db2.gz UFGTYJDJSOSSNN-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103663778 844797381 /nfs/dbraw/zinc/79/73/81/844797381.db2.gz UFGTYJDJSOSSNN-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755700 844816679 /nfs/dbraw/zinc/81/66/79/844816679.db2.gz NVOUCELFFWANGM-NUJGCVRESA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001103999787 844852250 /nfs/dbraw/zinc/85/22/50/844852250.db2.gz LDJASSAWNQIAPZ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCOC1CCC1 ZINC001104033774 844856052 /nfs/dbraw/zinc/85/60/52/844856052.db2.gz GXPOPKXSADSGPQ-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCOC1CCC1 ZINC001104033774 844856055 /nfs/dbraw/zinc/85/60/55/844856055.db2.gz GXPOPKXSADSGPQ-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104676644 844932141 /nfs/dbraw/zinc/93/21/41/844932141.db2.gz SHHQUBCQIGWEDE-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679691 844932753 /nfs/dbraw/zinc/93/27/53/844932753.db2.gz MRPWUCIUWULFNT-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104682827 844932790 /nfs/dbraw/zinc/93/27/90/844932790.db2.gz ARXIGUGJTRXGAH-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010279 844968680 /nfs/dbraw/zinc/96/86/80/844968680.db2.gz FWCRRDLUSXVIGC-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001105010302 844968894 /nfs/dbraw/zinc/96/88/94/844968894.db2.gz GPRBNVDGIPSMSB-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001105064242 844977339 /nfs/dbraw/zinc/97/73/39/844977339.db2.gz FOTPGZHJYAJMIL-KFWWJZLASA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001105945114 845065014 /nfs/dbraw/zinc/06/50/14/845065014.db2.gz LGXARUMHQFTZHJ-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106198780 845129714 /nfs/dbraw/zinc/12/97/14/845129714.db2.gz NTXDLTVUVYZGSX-MCIONIFRSA-N 2 1 355.462 0.074 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106663266 845217686 /nfs/dbraw/zinc/21/76/86/845217686.db2.gz YWGWRLLUYCSNEF-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668795 845220542 /nfs/dbraw/zinc/22/05/42/845220542.db2.gz PNVDERYSVDVONM-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106673426 845222036 /nfs/dbraw/zinc/22/20/36/845222036.db2.gz YQHXCZYSHSTUIE-HZPDHXFCSA-N 2 1 350.511 0.940 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106839403 845266033 /nfs/dbraw/zinc/26/60/33/845266033.db2.gz GPJBNOXHOMWMPI-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106874664 845276380 /nfs/dbraw/zinc/27/63/80/845276380.db2.gz ORVNIQKBDMVLRS-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106905324 845283090 /nfs/dbraw/zinc/28/30/90/845283090.db2.gz KFDJNXDMKVIMJI-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106905284 845283233 /nfs/dbraw/zinc/28/32/33/845283233.db2.gz ITOXVMRWBHEBOR-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc(CC)n2C)[C@H](C)C1 ZINC001106905718 845283355 /nfs/dbraw/zinc/28/33/55/845283355.db2.gz FFNFVMWCPOKVGZ-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106906148 845285111 /nfs/dbraw/zinc/28/51/11/845285111.db2.gz ZNHXWAKIWNKKED-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106981494 845299658 /nfs/dbraw/zinc/29/96/58/845299658.db2.gz QNOBTYTVGGDCCZ-OWCLPIDISA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106982991 845299688 /nfs/dbraw/zinc/29/96/88/845299688.db2.gz RGVLTTLLIIYRIC-JHJVBQTASA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106982667 845300010 /nfs/dbraw/zinc/30/00/10/845300010.db2.gz NNTVREJYCWFNKI-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001107042475 845318240 /nfs/dbraw/zinc/31/82/40/845318240.db2.gz NVJKEZJTSDKOKH-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2)[NH+](C)C ZINC001107553359 845398435 /nfs/dbraw/zinc/39/84/35/845398435.db2.gz HNGLSNMOQKZXHG-ZMSDIMECSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2)[NH+](C)C ZINC001107553359 845398443 /nfs/dbraw/zinc/39/84/43/845398443.db2.gz HNGLSNMOQKZXHG-ZMSDIMECSA-N 2 1 359.536 0.732 20 0 FCADMP CNC(=O)C(C)(C)NC(=O)[C@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001276755941 861581041 /nfs/dbraw/zinc/58/10/41/861581041.db2.gz CPKXNRDUOAOUOX-OAHLLOKOSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276759185 861586209 /nfs/dbraw/zinc/58/62/09/861586209.db2.gz ZEUGWNKBRNTCCF-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276759185 861586222 /nfs/dbraw/zinc/58/62/22/861586222.db2.gz ZEUGWNKBRNTCCF-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756951 861586366 /nfs/dbraw/zinc/58/63/66/861586366.db2.gz JXWGVYDGAYWOPC-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756951 861586376 /nfs/dbraw/zinc/58/63/76/861586376.db2.gz JXWGVYDGAYWOPC-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001109447130 845656953 /nfs/dbraw/zinc/65/69/53/845656953.db2.gz BAZVKFKNSIKDAC-TWMKSMIVSA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650986 845703786 /nfs/dbraw/zinc/70/37/86/845703786.db2.gz COCRTJROGADFGQ-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650986 845703795 /nfs/dbraw/zinc/70/37/95/845703795.db2.gz COCRTJROGADFGQ-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCCO1 ZINC001109848125 845747086 /nfs/dbraw/zinc/74/70/86/845747086.db2.gz XTFQPFMSYWQWJI-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCCO1 ZINC001109848125 845747089 /nfs/dbraw/zinc/74/70/89/845747089.db2.gz XTFQPFMSYWQWJI-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109868419 845751209 /nfs/dbraw/zinc/75/12/09/845751209.db2.gz PQMQKTUXEJFBAL-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109868419 845751226 /nfs/dbraw/zinc/75/12/26/845751226.db2.gz PQMQKTUXEJFBAL-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001109932312 845761063 /nfs/dbraw/zinc/76/10/63/845761063.db2.gz FYTLTGRQMUCTHK-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001109932312 845761071 /nfs/dbraw/zinc/76/10/71/845761071.db2.gz FYTLTGRQMUCTHK-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001109932312 845761079 /nfs/dbraw/zinc/76/10/79/845761079.db2.gz FYTLTGRQMUCTHK-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001109932312 845761086 /nfs/dbraw/zinc/76/10/86/845761086.db2.gz FYTLTGRQMUCTHK-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109932387 845761155 /nfs/dbraw/zinc/76/11/55/845761155.db2.gz JDWNTFWVZBITFS-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109932387 845761158 /nfs/dbraw/zinc/76/11/58/845761158.db2.gz JDWNTFWVZBITFS-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109932387 845761165 /nfs/dbraw/zinc/76/11/65/845761165.db2.gz JDWNTFWVZBITFS-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109932387 845761171 /nfs/dbraw/zinc/76/11/71/845761171.db2.gz JDWNTFWVZBITFS-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109928108 845761692 /nfs/dbraw/zinc/76/16/92/845761692.db2.gz HLNVPLQGNOPJFI-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109928108 845761693 /nfs/dbraw/zinc/76/16/93/845761693.db2.gz HLNVPLQGNOPJFI-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109928108 845761695 /nfs/dbraw/zinc/76/16/95/845761695.db2.gz HLNVPLQGNOPJFI-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001109932864 845763060 /nfs/dbraw/zinc/76/30/60/845763060.db2.gz WQQPJKADWCCMBU-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001109932864 845763067 /nfs/dbraw/zinc/76/30/67/845763067.db2.gz WQQPJKADWCCMBU-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001109932864 845763074 /nfs/dbraw/zinc/76/30/74/845763074.db2.gz WQQPJKADWCCMBU-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@H]1CC1(F)F ZINC001109979764 845772319 /nfs/dbraw/zinc/77/23/19/845772319.db2.gz CESBRCYXCODGDX-QPSCCSFWSA-N 2 1 361.433 0.710 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@H]1CC1(F)F ZINC001109979764 845772323 /nfs/dbraw/zinc/77/23/23/845772323.db2.gz CESBRCYXCODGDX-QPSCCSFWSA-N 2 1 361.433 0.710 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110017890 845776768 /nfs/dbraw/zinc/77/67/68/845776768.db2.gz RJEJBICWZZOMQW-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001110017890 845776761 /nfs/dbraw/zinc/77/67/61/845776761.db2.gz RJEJBICWZZOMQW-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110017890 845776764 /nfs/dbraw/zinc/77/67/64/845776764.db2.gz RJEJBICWZZOMQW-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001110126261 845800937 /nfs/dbraw/zinc/80/09/37/845800937.db2.gz NKVMZISQPQWHTQ-LTIDMASMSA-N 2 1 355.479 0.092 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001110126261 845800941 /nfs/dbraw/zinc/80/09/41/845800941.db2.gz NKVMZISQPQWHTQ-LTIDMASMSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)C1 ZINC001110126261 845800945 /nfs/dbraw/zinc/80/09/45/845800945.db2.gz NKVMZISQPQWHTQ-LTIDMASMSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOC)C1 ZINC001110126261 845800952 /nfs/dbraw/zinc/80/09/52/845800952.db2.gz NKVMZISQPQWHTQ-LTIDMASMSA-N 2 1 355.479 0.092 20 0 FCADMP CCOCCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276795278 861611956 /nfs/dbraw/zinc/61/19/56/861611956.db2.gz YFNAGVZDMCAWJZ-HZPDHXFCSA-N 2 1 355.523 0.990 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575365 845921568 /nfs/dbraw/zinc/92/15/68/845921568.db2.gz IULWLPCRJFHVDY-HHARLNAUSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575365 845921574 /nfs/dbraw/zinc/92/15/74/845921574.db2.gz IULWLPCRJFHVDY-HHARLNAUSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575365 845921579 /nfs/dbraw/zinc/92/15/79/845921579.db2.gz IULWLPCRJFHVDY-HHARLNAUSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575365 845921584 /nfs/dbraw/zinc/92/15/84/845921584.db2.gz IULWLPCRJFHVDY-HHARLNAUSA-N 2 1 350.507 0.917 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708127 845954002 /nfs/dbraw/zinc/95/40/02/845954002.db2.gz LWOSFVAYITWEGQ-OVYGPGRDSA-N 2 1 355.479 0.090 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708127 845954008 /nfs/dbraw/zinc/95/40/08/845954008.db2.gz LWOSFVAYITWEGQ-OVYGPGRDSA-N 2 1 355.479 0.090 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001110708127 845954014 /nfs/dbraw/zinc/95/40/14/845954014.db2.gz LWOSFVAYITWEGQ-OVYGPGRDSA-N 2 1 355.479 0.090 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001110708127 845954020 /nfs/dbraw/zinc/95/40/20/845954020.db2.gz LWOSFVAYITWEGQ-OVYGPGRDSA-N 2 1 355.479 0.090 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001110736660 845962698 /nfs/dbraw/zinc/96/26/98/845962698.db2.gz HEMWMVNHDKLRMC-YIYPIFLZSA-N 2 1 350.463 0.243 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001110736660 845962704 /nfs/dbraw/zinc/96/27/04/845962704.db2.gz HEMWMVNHDKLRMC-YIYPIFLZSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110736660 845962710 /nfs/dbraw/zinc/96/27/10/845962710.db2.gz HEMWMVNHDKLRMC-YIYPIFLZSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110736660 845962717 /nfs/dbraw/zinc/96/27/17/845962717.db2.gz HEMWMVNHDKLRMC-YIYPIFLZSA-N 2 1 350.463 0.243 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CC(F)(F)F ZINC001111277565 846075938 /nfs/dbraw/zinc/07/59/38/846075938.db2.gz XVDRPMMEHXIDFG-RQJABVFESA-N 2 1 367.412 0.599 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111281131 846077337 /nfs/dbraw/zinc/07/73/37/846077337.db2.gz HEBWIISNHUOJHR-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111281131 846077340 /nfs/dbraw/zinc/07/73/40/846077340.db2.gz HEBWIISNHUOJHR-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111281131 846077344 /nfs/dbraw/zinc/07/73/44/846077344.db2.gz HEBWIISNHUOJHR-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111281131 846077350 /nfs/dbraw/zinc/07/73/50/846077350.db2.gz HEBWIISNHUOJHR-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753225 846191576 /nfs/dbraw/zinc/19/15/76/846191576.db2.gz KIIGHOOILPSRRU-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753225 846191578 /nfs/dbraw/zinc/19/15/78/846191578.db2.gz KIIGHOOILPSRRU-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753225 846191582 /nfs/dbraw/zinc/19/15/82/846191582.db2.gz KIIGHOOILPSRRU-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782820 846204164 /nfs/dbraw/zinc/20/41/64/846204164.db2.gz ZMQKRAZQFOAUSR-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782820 846204175 /nfs/dbraw/zinc/20/41/75/846204175.db2.gz ZMQKRAZQFOAUSR-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782820 846204188 /nfs/dbraw/zinc/20/41/88/846204188.db2.gz ZMQKRAZQFOAUSR-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855540 846231440 /nfs/dbraw/zinc/23/14/40/846231440.db2.gz ABYINQWOFPULEJ-DOXZYTNZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111910184 846257426 /nfs/dbraw/zinc/25/74/26/846257426.db2.gz RSYONXOZNSPOAL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111910184 846257438 /nfs/dbraw/zinc/25/74/38/846257438.db2.gz RSYONXOZNSPOAL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCN(C)C1=O)C2 ZINC001111927045 846263800 /nfs/dbraw/zinc/26/38/00/846263800.db2.gz WERLPWZVYBDXPF-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111927045 846263815 /nfs/dbraw/zinc/26/38/15/846263815.db2.gz WERLPWZVYBDXPF-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111927045 846263824 /nfs/dbraw/zinc/26/38/24/846263824.db2.gz WERLPWZVYBDXPF-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111927046 846263927 /nfs/dbraw/zinc/26/39/27/846263927.db2.gz WERLPWZVYBDXPF-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111927046 846263935 /nfs/dbraw/zinc/26/39/35/846263935.db2.gz WERLPWZVYBDXPF-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111927046 846263948 /nfs/dbraw/zinc/26/39/48/846263948.db2.gz WERLPWZVYBDXPF-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116177 846393911 /nfs/dbraw/zinc/39/39/11/846393911.db2.gz ORTUBXWEHBXADX-CYZMBNFOSA-N 2 1 364.412 0.584 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116177 846393921 /nfs/dbraw/zinc/39/39/21/846393921.db2.gz ORTUBXWEHBXADX-CYZMBNFOSA-N 2 1 364.412 0.584 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116083 846394938 /nfs/dbraw/zinc/39/49/38/846394938.db2.gz JDGSAJLBHYLCLM-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116083 846394949 /nfs/dbraw/zinc/39/49/49/846394949.db2.gz JDGSAJLBHYLCLM-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112122656 846401062 /nfs/dbraw/zinc/40/10/62/846401062.db2.gz ZKUHEGCIMQWRAS-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112143159 846415053 /nfs/dbraw/zinc/41/50/53/846415053.db2.gz LJBBNLMUJFGNTJ-UMSGYPCISA-N 2 1 353.385 0.067 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001112154463 846422577 /nfs/dbraw/zinc/42/25/77/846422577.db2.gz NGMDEDQEWTXJHT-IJLUTSLNSA-N 2 1 362.396 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112158172 846424416 /nfs/dbraw/zinc/42/44/16/846424416.db2.gz WOBKYVLSQOEDGM-VXGBXAGGSA-N 2 1 350.385 0.053 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166223 846429303 /nfs/dbraw/zinc/42/93/03/846429303.db2.gz KHOMVPLLKCEXDX-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166223 846429306 /nfs/dbraw/zinc/42/93/06/846429306.db2.gz KHOMVPLLKCEXDX-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001112183455 846444044 /nfs/dbraw/zinc/44/40/44/846444044.db2.gz JQCLOCQNUYRROZ-CHWSQXEVSA-N 2 1 364.412 0.443 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112193243 846453087 /nfs/dbraw/zinc/45/30/87/846453087.db2.gz QOMHAVCUZLVVRB-VXGBXAGGSA-N 2 1 362.396 0.149 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001112197342 846455860 /nfs/dbraw/zinc/45/58/60/846455860.db2.gz MENYUBBXMCDSAB-FRRDWIJNSA-N 2 1 366.428 0.961 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112198449 846456337 /nfs/dbraw/zinc/45/63/37/846456337.db2.gz WIKBNTVHEMOPGJ-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112198449 846456348 /nfs/dbraw/zinc/45/63/48/846456348.db2.gz WIKBNTVHEMOPGJ-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206470 846463178 /nfs/dbraw/zinc/46/31/78/846463178.db2.gz QTXGRAHYBHFZKK-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206470 846463181 /nfs/dbraw/zinc/46/31/81/846463181.db2.gz QTXGRAHYBHFZKK-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112284909 846487452 /nfs/dbraw/zinc/48/74/52/846487452.db2.gz DSMMLADPSMXCTI-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001112401804 846502099 /nfs/dbraw/zinc/50/20/99/846502099.db2.gz YVJNGAKOLMRBAU-YJBOKZPZSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2)C(N)=O ZINC001112530048 846516199 /nfs/dbraw/zinc/51/61/99/846516199.db2.gz AJCHIBOQWHEDJM-VCBZYWHSSA-N 2 1 350.507 0.810 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529561 846516470 /nfs/dbraw/zinc/51/64/70/846516470.db2.gz GASGRCIASIEUJP-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546404 846520512 /nfs/dbraw/zinc/52/05/12/846520512.db2.gz JQWPKEHAKHHQFH-HKUYNNGSSA-N 2 1 353.507 0.964 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578859 846529433 /nfs/dbraw/zinc/52/94/33/846529433.db2.gz KEYQAUIGBAAERU-BQFCYCMXSA-N 2 1 350.463 0.417 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001114303674 846549704 /nfs/dbraw/zinc/54/97/04/846549704.db2.gz BZRLNNKFTACTRO-AALSBFMBSA-N 2 1 357.520 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001114303674 846549713 /nfs/dbraw/zinc/54/97/13/846549713.db2.gz BZRLNNKFTACTRO-AALSBFMBSA-N 2 1 357.520 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114303674 846549726 /nfs/dbraw/zinc/54/97/26/846549726.db2.gz BZRLNNKFTACTRO-AALSBFMBSA-N 2 1 357.520 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114303674 846549743 /nfs/dbraw/zinc/54/97/43/846549743.db2.gz BZRLNNKFTACTRO-AALSBFMBSA-N 2 1 357.520 0.198 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304362 846550083 /nfs/dbraw/zinc/55/00/83/846550083.db2.gz PMHJWUPSYQLJKR-PVWIJFIWSA-N 2 1 350.507 0.678 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304362 846550091 /nfs/dbraw/zinc/55/00/91/846550091.db2.gz PMHJWUPSYQLJKR-PVWIJFIWSA-N 2 1 350.507 0.678 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114304362 846550097 /nfs/dbraw/zinc/55/00/97/846550097.db2.gz PMHJWUPSYQLJKR-PVWIJFIWSA-N 2 1 350.507 0.678 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114304362 846550102 /nfs/dbraw/zinc/55/01/02/846550102.db2.gz PMHJWUPSYQLJKR-PVWIJFIWSA-N 2 1 350.507 0.678 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)n1C ZINC001117292091 846942321 /nfs/dbraw/zinc/94/23/21/846942321.db2.gz AFGVGFYDCIFDHK-ZIAGYGMSSA-N 2 1 350.467 0.091 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118025620 847254331 /nfs/dbraw/zinc/25/43/31/847254331.db2.gz RHCYKYKGEUHGQA-UHFFFAOYSA-N 2 1 351.495 0.326 20 0 FCADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](CCN3CC[NH2+]CC3)CC2)n1 ZINC001118289091 847364605 /nfs/dbraw/zinc/36/46/05/847364605.db2.gz SBOMWWWADZNNSV-OAHLLOKOSA-N 2 1 352.483 0.190 20 0 FCADMP CS(=O)(=O)CCN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001118387033 847409141 /nfs/dbraw/zinc/40/91/41/847409141.db2.gz LDMDDAGEAJJBCD-SFHVURJKSA-N 2 1 373.563 0.728 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)N1CC[NH+](C)CC1 ZINC001277248522 861804359 /nfs/dbraw/zinc/80/43/59/861804359.db2.gz VBYJDFHZYFEJLN-SFHVURJKSA-N 2 1 351.495 0.372 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001120602488 848250991 /nfs/dbraw/zinc/25/09/91/848250991.db2.gz HTDZMNFPIZPMBG-DLBZAZTESA-N 2 1 353.438 0.628 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121928365 848419812 /nfs/dbraw/zinc/41/98/12/848419812.db2.gz NVYCOPKOKRUYCS-HNNXBMFYSA-N 2 1 351.495 0.275 20 0 FCADMP Cc1conc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571417 848727055 /nfs/dbraw/zinc/72/70/55/848727055.db2.gz RJMXUPNZGCQIAW-WBVHZDCISA-N 2 1 350.463 0.936 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nnc(C)s2)CC[N@H+]1C ZINC001127695569 848733474 /nfs/dbraw/zinc/73/34/74/848733474.db2.gz QHMMHFRCTKQLCC-NWDGAFQWSA-N 2 1 354.480 0.221 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263064 848823134 /nfs/dbraw/zinc/82/31/34/848823134.db2.gz ZRDMXJRDENAJOD-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263064 848823141 /nfs/dbraw/zinc/82/31/41/848823141.db2.gz ZRDMXJRDENAJOD-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263064 848823144 /nfs/dbraw/zinc/82/31/44/848823144.db2.gz ZRDMXJRDENAJOD-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718135 848886362 /nfs/dbraw/zinc/88/63/62/848886362.db2.gz YDRNHGCZODOBMZ-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718135 848886367 /nfs/dbraw/zinc/88/63/67/848886367.db2.gz YDRNHGCZODOBMZ-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910264 848913499 /nfs/dbraw/zinc/91/34/99/848913499.db2.gz LFHKDQJXAHBQCP-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129986704 848926932 /nfs/dbraw/zinc/92/69/32/848926932.db2.gz JKYHTHJHFPUBLE-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130040696 848935554 /nfs/dbraw/zinc/93/55/54/848935554.db2.gz HOKMNLFMANXHCX-AJNROWNDSA-N 2 1 368.869 0.094 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086287 848942366 /nfs/dbraw/zinc/94/23/66/848942366.db2.gz UGOPKTCZWMMGGS-MDQLWMCGSA-N 2 1 352.870 0.714 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2cccs2)O1 ZINC001130184126 848961754 /nfs/dbraw/zinc/96/17/54/848961754.db2.gz BMRVKEUIDVDCIJ-IJEWVQPXSA-N 2 1 371.503 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2cccs2)O1 ZINC001130184126 848961759 /nfs/dbraw/zinc/96/17/59/848961759.db2.gz BMRVKEUIDVDCIJ-IJEWVQPXSA-N 2 1 371.503 0.051 20 0 FCADMP CC(C)CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184708 848963066 /nfs/dbraw/zinc/96/30/66/848963066.db2.gz XHXPYMYEHDZBON-ARFHVFGLSA-N 2 1 356.511 0.352 20 0 FCADMP CC(C)CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184708 848963074 /nfs/dbraw/zinc/96/30/74/848963074.db2.gz XHXPYMYEHDZBON-ARFHVFGLSA-N 2 1 356.511 0.352 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCCCC2)O1 ZINC001130184371 848963883 /nfs/dbraw/zinc/96/38/83/848963883.db2.gz NJVAVAQHJPNJRN-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCCCC2)O1 ZINC001130184371 848963888 /nfs/dbraw/zinc/96/38/88/848963888.db2.gz NJVAVAQHJPNJRN-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001130251488 848989370 /nfs/dbraw/zinc/98/93/70/848989370.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251488 848989376 /nfs/dbraw/zinc/98/93/76/848989376.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251488 848989381 /nfs/dbraw/zinc/98/93/81/848989381.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cscn2)c1 ZINC001130669833 849025083 /nfs/dbraw/zinc/02/50/83/849025083.db2.gz JWJDFAKOTQRPKF-GOEBONIOSA-N 2 1 362.503 0.913 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001130717822 849029025 /nfs/dbraw/zinc/02/90/25/849029025.db2.gz SSFUNBNJUXXQMH-HLLBOEOZSA-N 2 1 351.495 0.417 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737004 849030734 /nfs/dbraw/zinc/03/07/34/849030734.db2.gz UELMHYSFBNEIJB-YQQAZPJKSA-N 2 1 351.495 0.679 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130804219 849045960 /nfs/dbraw/zinc/04/59/60/849045960.db2.gz ABWLOEXFPRBHAB-QWHCGFSZSA-N 2 1 356.446 0.542 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC)O2)n[nH]1 ZINC001130817579 849048708 /nfs/dbraw/zinc/04/87/08/849048708.db2.gz UHTKDYSLDNCBFQ-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1 ZINC001130817579 849048711 /nfs/dbraw/zinc/04/87/11/849048711.db2.gz UHTKDYSLDNCBFQ-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1 ZINC001130817579 849048712 /nfs/dbraw/zinc/04/87/12/849048712.db2.gz UHTKDYSLDNCBFQ-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001131020083 849071572 /nfs/dbraw/zinc/07/15/72/849071572.db2.gz KLDRECZBZZMWBQ-RRFJBIMHSA-N 2 1 351.495 0.415 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316701 849096479 /nfs/dbraw/zinc/09/64/79/849096479.db2.gz SGOFBYQNFGQBJX-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131562405 849123630 /nfs/dbraw/zinc/12/36/30/849123630.db2.gz RNTUGFWIFVVUMD-SUMDDJOVSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131564955 849124822 /nfs/dbraw/zinc/12/48/22/849124822.db2.gz ZVYJXUUVHIXISJ-WBVHZDCISA-N 2 1 351.451 0.507 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324997 849337153 /nfs/dbraw/zinc/33/71/53/849337153.db2.gz XLYBJPPFNNAFOL-UHFFFAOYSA-N 3 1 354.568 0.820 20 0 FCADMP COC(=O)CCn1nc(C)c(C[NH+]2CCN(CC[NH+](C)C)CC2)c1C ZINC001139783642 849348120 /nfs/dbraw/zinc/34/81/20/849348120.db2.gz XJBVHEDEPHWOLC-UHFFFAOYSA-N 2 1 351.495 0.742 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](CO)CC[C@H]3CO)CC2)CC1 ZINC001143562362 849492665 /nfs/dbraw/zinc/49/26/65/849492665.db2.gz PALDMBYOKUVLCY-ROUUACIJSA-N 2 1 353.507 0.527 20 0 FCADMP CC[N@H+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153491753 849748250 /nfs/dbraw/zinc/74/82/50/849748250.db2.gz QTALHFLNHGJNSY-RBSFLKMASA-N 2 1 362.540 0.093 20 0 FCADMP CC[N@@H+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153491753 849748254 /nfs/dbraw/zinc/74/82/54/849748254.db2.gz QTALHFLNHGJNSY-RBSFLKMASA-N 2 1 362.540 0.093 20 0 FCADMP CC[NH+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153491753 849748259 /nfs/dbraw/zinc/74/82/59/849748259.db2.gz QTALHFLNHGJNSY-RBSFLKMASA-N 2 1 362.540 0.093 20 0 FCADMP CC[NH+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153491753 849748263 /nfs/dbraw/zinc/74/82/63/849748263.db2.gz QTALHFLNHGJNSY-RBSFLKMASA-N 2 1 362.540 0.093 20 0 FCADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C1CCCC1 ZINC001154888758 849818914 /nfs/dbraw/zinc/81/89/14/849818914.db2.gz GMRPOCJXUNAOOO-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001155233026 849840512 /nfs/dbraw/zinc/84/05/12/849840512.db2.gz VWWXSXWZJWYMIZ-CQSZACIVSA-N 2 1 351.451 0.856 20 0 FCADMP COC(=O)CSc1cncc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155381602 849850211 /nfs/dbraw/zinc/85/02/11/849850211.db2.gz HCELCKSSNFUAKU-ZDUSSCGKSA-N 2 1 351.476 0.601 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591051 849916621 /nfs/dbraw/zinc/91/66/21/849916621.db2.gz SAWVTHHCLYIYJC-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2C[N@H+](C)CC2(C)C)CC1=O ZINC001156591051 849916627 /nfs/dbraw/zinc/91/66/27/849916627.db2.gz SAWVTHHCLYIYJC-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)CC1=O ZINC001156591051 849916631 /nfs/dbraw/zinc/91/66/31/849916631.db2.gz SAWVTHHCLYIYJC-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158336944 850037065 /nfs/dbraw/zinc/03/70/65/850037065.db2.gz FKCRFHPPUHMWKP-MELADBBJSA-N 2 1 355.483 0.047 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCNS(=O)(=O)CC)CC[N@H+]1C ZINC001158404090 850048072 /nfs/dbraw/zinc/04/80/72/850048072.db2.gz QIKILEZBIRFBPF-LSDHHAIUSA-N 2 1 362.540 0.142 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428528 850048877 /nfs/dbraw/zinc/04/88/77/850048877.db2.gz HZUUUAIPGWTULA-JHJVBQTASA-N 2 1 353.492 0.906 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cnc(C[NH3+])s1)CC2 ZINC001158890972 850084197 /nfs/dbraw/zinc/08/41/97/850084197.db2.gz RGZQNDRFODWIKK-UHFFFAOYSA-N 2 1 351.476 0.418 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1cnc(C[NH3+])s1)CC2 ZINC001158890972 850084209 /nfs/dbraw/zinc/08/42/09/850084209.db2.gz RGZQNDRFODWIKK-UHFFFAOYSA-N 2 1 351.476 0.418 20 0 FCADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160427676 850172311 /nfs/dbraw/zinc/17/23/11/850172311.db2.gz LVNYFUISTYGOBP-UONOGXRCSA-N 2 1 351.447 0.231 20 0 FCADMP NC(=O)c1ccc(C(F)(F)N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1Cl ZINC001160508433 850178121 /nfs/dbraw/zinc/17/81/21/850178121.db2.gz GOSKDVQWFYLLFJ-AWEZNQCLSA-N 2 1 359.808 0.896 20 0 FCADMP NC(=O)c1ccc(C(F)(F)N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1Cl ZINC001160508434 850178268 /nfs/dbraw/zinc/17/82/68/850178268.db2.gz GOSKDVQWFYLLFJ-CQSZACIVSA-N 2 1 359.808 0.896 20 0 FCADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1C1CC1 ZINC001160862235 850209516 /nfs/dbraw/zinc/20/95/16/850209516.db2.gz ILZCDHBEKUTUFL-IUODEOHRSA-N 2 1 350.467 0.236 20 0 FCADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1C1CC1 ZINC001160862235 850209532 /nfs/dbraw/zinc/20/95/32/850209532.db2.gz ILZCDHBEKUTUFL-IUODEOHRSA-N 2 1 350.467 0.236 20 0 FCADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161174703 850235788 /nfs/dbraw/zinc/23/57/88/850235788.db2.gz CPSCRXCSPMZDSM-AWEZNQCLSA-N 2 1 357.495 0.611 20 0 FCADMP [NH3+][C@@H](CC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)C1CC1 ZINC001161197497 850239213 /nfs/dbraw/zinc/23/92/13/850239213.db2.gz AURDITXNMFTNSV-SFHVURJKSA-N 3 1 352.523 0.664 20 0 FCADMP C[NH+]1CCC(N(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C2CCCC2)CC1 ZINC001161454543 850259623 /nfs/dbraw/zinc/25/96/23/850259623.db2.gz WYXJTOIJUUYJPT-SFHVURJKSA-N 2 1 351.539 0.602 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833410 862121471 /nfs/dbraw/zinc/12/14/71/862121471.db2.gz DRGAXZBUOGGLFK-MJGOQNOKSA-N 3 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833410 862121480 /nfs/dbraw/zinc/12/14/80/862121480.db2.gz DRGAXZBUOGGLFK-MJGOQNOKSA-N 3 1 354.539 0.708 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N1CC[C@H]([NH3+])C1 ZINC001164279620 850401350 /nfs/dbraw/zinc/40/13/50/850401350.db2.gz SEOWJYSFSIZRRF-HIFRSBDPSA-N 2 1 350.463 0.725 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001164582343 850417226 /nfs/dbraw/zinc/41/72/26/850417226.db2.gz IVUVHUKYSOSZDU-OWCLPIDISA-N 2 1 371.547 0.637 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132956 850607871 /nfs/dbraw/zinc/60/78/71/850607871.db2.gz ANQGQABRKOTHKE-ATIFRJIPSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132956 850607877 /nfs/dbraw/zinc/60/78/77/850607877.db2.gz ANQGQABRKOTHKE-ATIFRJIPSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132956 850607887 /nfs/dbraw/zinc/60/78/87/850607887.db2.gz ANQGQABRKOTHKE-ATIFRJIPSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132959 850607953 /nfs/dbraw/zinc/60/79/53/850607953.db2.gz ANQGQABRKOTHKE-WAXPSYRMSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132959 850607959 /nfs/dbraw/zinc/60/79/59/850607959.db2.gz ANQGQABRKOTHKE-WAXPSYRMSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132959 850607965 /nfs/dbraw/zinc/60/79/65/850607965.db2.gz ANQGQABRKOTHKE-WAXPSYRMSA-N 2 1 351.491 0.998 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171486904 850686397 /nfs/dbraw/zinc/68/63/97/850686397.db2.gz PZFDQQJQNVVANT-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171486904 850686405 /nfs/dbraw/zinc/68/64/05/850686405.db2.gz PZFDQQJQNVVANT-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1C ZINC001178522656 850904420 /nfs/dbraw/zinc/90/44/20/850904420.db2.gz NTZSNTSJHRSIIQ-RRFJBIMHSA-N 2 1 351.499 0.878 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cncn2C)O1 ZINC001178811115 850933835 /nfs/dbraw/zinc/93/38/35/850933835.db2.gz REGGQECXRVCXJZ-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cncn2C)O1 ZINC001178811115 850933840 /nfs/dbraw/zinc/93/38/40/850933840.db2.gz REGGQECXRVCXJZ-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[NH+]1CCN(CC(=O)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001178947800 850940431 /nfs/dbraw/zinc/94/04/31/850940431.db2.gz AYHBJAFSLWOWJK-MRXNPFEDSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(CC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)CC1 ZINC001178954132 850941831 /nfs/dbraw/zinc/94/18/31/850941831.db2.gz WWQBPSIEZBTQBE-UHFFFAOYSA-N 2 1 368.503 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001182693582 851193174 /nfs/dbraw/zinc/19/31/74/851193174.db2.gz XQSFOWMGMLOWEL-IXDOHACOSA-N 2 1 354.495 0.060 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001186037173 851406366 /nfs/dbraw/zinc/40/63/66/851406366.db2.gz FUVHADNLCGZQHN-ZIFCJYIRSA-N 2 1 351.491 0.260 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001186037173 851406375 /nfs/dbraw/zinc/40/63/75/851406375.db2.gz FUVHADNLCGZQHN-ZIFCJYIRSA-N 2 1 351.491 0.260 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001186037173 851406384 /nfs/dbraw/zinc/40/63/84/851406384.db2.gz FUVHADNLCGZQHN-ZIFCJYIRSA-N 2 1 351.491 0.260 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945381 851630561 /nfs/dbraw/zinc/63/05/61/851630561.db2.gz WZTDOPDZSDMBLK-GVDBMIGSSA-N 2 1 369.531 0.296 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945381 851630563 /nfs/dbraw/zinc/63/05/63/851630563.db2.gz WZTDOPDZSDMBLK-GVDBMIGSSA-N 2 1 369.531 0.296 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001188205789 851658648 /nfs/dbraw/zinc/65/86/48/851658648.db2.gz XSXBYTNIDVUBKL-OKZBNKHCSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188205789 851658650 /nfs/dbraw/zinc/65/86/50/851658650.db2.gz XSXBYTNIDVUBKL-OKZBNKHCSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188205789 851658651 /nfs/dbraw/zinc/65/86/51/851658651.db2.gz XSXBYTNIDVUBKL-OKZBNKHCSA-N 2 1 353.507 0.791 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219309 851660670 /nfs/dbraw/zinc/66/06/70/851660670.db2.gz LUVZIJHQGMXTRB-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219309 851660675 /nfs/dbraw/zinc/66/06/75/851660675.db2.gz LUVZIJHQGMXTRB-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219309 851660679 /nfs/dbraw/zinc/66/06/79/851660679.db2.gz LUVZIJHQGMXTRB-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219309 851660684 /nfs/dbraw/zinc/66/06/84/851660684.db2.gz LUVZIJHQGMXTRB-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246659 851661501 /nfs/dbraw/zinc/66/15/01/851661501.db2.gz NKJZIWSYCMNOFN-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246659 851661504 /nfs/dbraw/zinc/66/15/04/851661504.db2.gz NKJZIWSYCMNOFN-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246659 851661507 /nfs/dbraw/zinc/66/15/07/851661507.db2.gz NKJZIWSYCMNOFN-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246659 851661510 /nfs/dbraw/zinc/66/15/10/851661510.db2.gz NKJZIWSYCMNOFN-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001188323670 851670245 /nfs/dbraw/zinc/67/02/45/851670245.db2.gz ZNZSTJJQHOPIHS-USXIJHARSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001188323670 851670248 /nfs/dbraw/zinc/67/02/48/851670248.db2.gz ZNZSTJJQHOPIHS-USXIJHARSA-N 2 1 350.507 0.870 20 0 FCADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188644115 851716358 /nfs/dbraw/zinc/71/63/58/851716358.db2.gz YPGPQHCCDLYCGD-KSZLIROESA-N 2 1 351.491 0.402 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673482 851719136 /nfs/dbraw/zinc/71/91/36/851719136.db2.gz OENAJJCGGWQIPQ-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673482 851719142 /nfs/dbraw/zinc/71/91/42/851719142.db2.gz OENAJJCGGWQIPQ-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001188964131 851738308 /nfs/dbraw/zinc/73/83/08/851738308.db2.gz VUIDXXBJXXIQNQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001188964131 851738311 /nfs/dbraw/zinc/73/83/11/851738311.db2.gz VUIDXXBJXXIQNQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001188963763 851738573 /nfs/dbraw/zinc/73/85/73/851738573.db2.gz RAGRXEJQIOIHGJ-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001188963763 851738574 /nfs/dbraw/zinc/73/85/74/851738574.db2.gz RAGRXEJQIOIHGJ-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971660 851738985 /nfs/dbraw/zinc/73/89/85/851738985.db2.gz ZZYMYHIOCOFJIQ-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971660 851738991 /nfs/dbraw/zinc/73/89/91/851738991.db2.gz ZZYMYHIOCOFJIQ-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189478394 851793608 /nfs/dbraw/zinc/79/36/08/851793608.db2.gz SCPHPWBDMQQROC-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1)C1CC1 ZINC001189484143 851795045 /nfs/dbraw/zinc/79/50/45/851795045.db2.gz DXNWRDPKLRKRPN-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1)C1CC1 ZINC001189484143 851795048 /nfs/dbraw/zinc/79/50/48/851795048.db2.gz DXNWRDPKLRKRPN-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189668751 851812501 /nfs/dbraw/zinc/81/25/01/851812501.db2.gz NSMZRPCSRSQUTK-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189668751 851812505 /nfs/dbraw/zinc/81/25/05/851812505.db2.gz NSMZRPCSRSQUTK-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189668751 851812507 /nfs/dbraw/zinc/81/25/07/851812507.db2.gz NSMZRPCSRSQUTK-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659801 851813083 /nfs/dbraw/zinc/81/30/83/851813083.db2.gz HPAQVHJKFCIDAU-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659801 851813093 /nfs/dbraw/zinc/81/30/93/851813093.db2.gz HPAQVHJKFCIDAU-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659801 851813102 /nfs/dbraw/zinc/81/31/02/851813102.db2.gz HPAQVHJKFCIDAU-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659801 851813112 /nfs/dbraw/zinc/81/31/12/851813112.db2.gz HPAQVHJKFCIDAU-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659799 851813323 /nfs/dbraw/zinc/81/33/23/851813323.db2.gz HPAQVHJKFCIDAU-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659799 851813330 /nfs/dbraw/zinc/81/33/30/851813330.db2.gz HPAQVHJKFCIDAU-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659799 851813331 /nfs/dbraw/zinc/81/33/31/851813331.db2.gz HPAQVHJKFCIDAU-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189659799 851813337 /nfs/dbraw/zinc/81/33/37/851813337.db2.gz HPAQVHJKFCIDAU-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788086 851825175 /nfs/dbraw/zinc/82/51/75/851825175.db2.gz SKEXKFSVAIZPLF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788086 851825181 /nfs/dbraw/zinc/82/51/81/851825181.db2.gz SKEXKFSVAIZPLF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788086 851825189 /nfs/dbraw/zinc/82/51/89/851825189.db2.gz SKEXKFSVAIZPLF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788086 851825195 /nfs/dbraw/zinc/82/51/95/851825195.db2.gz SKEXKFSVAIZPLF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801462 851826187 /nfs/dbraw/zinc/82/61/87/851826187.db2.gz HALSGJAUTXNTEB-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801462 851826190 /nfs/dbraw/zinc/82/61/90/851826190.db2.gz HALSGJAUTXNTEB-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001189811361 851827139 /nfs/dbraw/zinc/82/71/39/851827139.db2.gz ZDWQNJOIANBDAG-BFHYXJOUSA-N 2 1 367.412 0.411 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189870653 851833031 /nfs/dbraw/zinc/83/30/31/851833031.db2.gz CQLCGZVYDYYOTA-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189870653 851833039 /nfs/dbraw/zinc/83/30/39/851833039.db2.gz CQLCGZVYDYYOTA-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189871826 851833555 /nfs/dbraw/zinc/83/35/55/851833555.db2.gz RRRXQJUNGHLBGF-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189912689 851840543 /nfs/dbraw/zinc/84/05/43/851840543.db2.gz FNUUUFWEUUTSFH-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189912689 851840552 /nfs/dbraw/zinc/84/05/52/851840552.db2.gz FNUUUFWEUUTSFH-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189912689 851840562 /nfs/dbraw/zinc/84/05/62/851840562.db2.gz FNUUUFWEUUTSFH-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001189922985 851843269 /nfs/dbraw/zinc/84/32/69/851843269.db2.gz IGSJPWUJTJMQHL-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001189922985 851843273 /nfs/dbraw/zinc/84/32/73/851843273.db2.gz IGSJPWUJTJMQHL-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001189922985 851843276 /nfs/dbraw/zinc/84/32/76/851843276.db2.gz IGSJPWUJTJMQHL-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001189922985 851843279 /nfs/dbraw/zinc/84/32/79/851843279.db2.gz IGSJPWUJTJMQHL-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001190246696 851882176 /nfs/dbraw/zinc/88/21/76/851882176.db2.gz GOYXZBCGWCMIQH-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001190246696 851882178 /nfs/dbraw/zinc/88/21/78/851882178.db2.gz GOYXZBCGWCMIQH-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC3CC3)C2)CC[NH+]1C ZINC001190246696 851882180 /nfs/dbraw/zinc/88/21/80/851882180.db2.gz GOYXZBCGWCMIQH-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC3CC3)C2)CC[NH+]1C ZINC001190246696 851882181 /nfs/dbraw/zinc/88/21/81/851882181.db2.gz GOYXZBCGWCMIQH-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278462874 862336991 /nfs/dbraw/zinc/33/69/91/862336991.db2.gz AAWYMFPYIOYCIM-BRWVUGGUSA-N 2 1 350.507 0.097 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193447068 852429134 /nfs/dbraw/zinc/42/91/34/852429134.db2.gz INZLHQZOQTZZTA-BFHYXJOUSA-N 2 1 351.413 0.873 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755533 852482026 /nfs/dbraw/zinc/48/20/26/852482026.db2.gz MROCUGQQDHJBSK-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755533 852482030 /nfs/dbraw/zinc/48/20/30/852482030.db2.gz MROCUGQQDHJBSK-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756842 852483295 /nfs/dbraw/zinc/48/32/95/852483295.db2.gz TZKFESNSIFKNJD-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756842 852483299 /nfs/dbraw/zinc/48/32/99/852483299.db2.gz TZKFESNSIFKNJD-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193756842 852483300 /nfs/dbraw/zinc/48/33/00/852483300.db2.gz TZKFESNSIFKNJD-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193756842 852483302 /nfs/dbraw/zinc/48/33/02/852483302.db2.gz TZKFESNSIFKNJD-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001193892360 852501043 /nfs/dbraw/zinc/50/10/43/852501043.db2.gz LDUNGLDAMYFXKR-NUEKZKHPSA-N 2 1 352.504 0.721 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001193892360 852501051 /nfs/dbraw/zinc/50/10/51/852501051.db2.gz LDUNGLDAMYFXKR-NUEKZKHPSA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001193892360 852501057 /nfs/dbraw/zinc/50/10/57/852501057.db2.gz LDUNGLDAMYFXKR-NUEKZKHPSA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001193892360 852501064 /nfs/dbraw/zinc/50/10/64/852501064.db2.gz LDUNGLDAMYFXKR-NUEKZKHPSA-N 2 1 352.504 0.721 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193961249 852517065 /nfs/dbraw/zinc/51/70/65/852517065.db2.gz PGQIBVYNHGQTDA-ZACQAIPSSA-N 2 1 351.495 0.247 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193961249 852517070 /nfs/dbraw/zinc/51/70/70/852517070.db2.gz PGQIBVYNHGQTDA-ZACQAIPSSA-N 2 1 351.495 0.247 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1O ZINC001194244008 852564606 /nfs/dbraw/zinc/56/46/06/852564606.db2.gz HGDDPVRNLVLLJS-ZIAGYGMSSA-N 2 1 354.520 0.886 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1O ZINC001194244008 852564611 /nfs/dbraw/zinc/56/46/11/852564611.db2.gz HGDDPVRNLVLLJS-ZIAGYGMSSA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O ZINC001194244008 852564614 /nfs/dbraw/zinc/56/46/14/852564614.db2.gz HGDDPVRNLVLLJS-ZIAGYGMSSA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1O ZINC001194244008 852564620 /nfs/dbraw/zinc/56/46/20/852564620.db2.gz HGDDPVRNLVLLJS-ZIAGYGMSSA-N 2 1 354.520 0.886 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264858 852569148 /nfs/dbraw/zinc/56/91/48/852569148.db2.gz IBQUMUMZYXRWQS-MGPQQGTHSA-N 2 1 356.511 0.181 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001194298340 852574366 /nfs/dbraw/zinc/57/43/66/852574366.db2.gz DTNDMEMYHGJSJX-DJIMGWMZSA-N 2 1 353.507 0.837 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982754 852687082 /nfs/dbraw/zinc/68/70/82/852687082.db2.gz SAWOYASZMAMOKN-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CO[C@@H](C)COC)CC2)CC1 ZINC001195258811 852732893 /nfs/dbraw/zinc/73/28/93/852732893.db2.gz RZIRZDHBDNAZOE-HKUYNNGSSA-N 2 1 357.539 0.891 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893275 852843536 /nfs/dbraw/zinc/84/35/36/852843536.db2.gz DBFJROZITZMTLF-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893275 852843540 /nfs/dbraw/zinc/84/35/40/852843540.db2.gz DBFJROZITZMTLF-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893275 852843544 /nfs/dbraw/zinc/84/35/44/852843544.db2.gz DBFJROZITZMTLF-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195981212 852860091 /nfs/dbraw/zinc/86/00/91/852860091.db2.gz PGQIBVYNHGQTDA-BRWVUGGUSA-N 2 1 351.495 0.247 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)[NH+](CC)CC ZINC001196132568 852897057 /nfs/dbraw/zinc/89/70/57/852897057.db2.gz SPJLBYHJEPCLDG-IXDOHACOSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)[NH+](CC)CC ZINC001196132568 852897063 /nfs/dbraw/zinc/89/70/63/852897063.db2.gz SPJLBYHJEPCLDG-IXDOHACOSA-N 2 1 351.495 0.244 20 0 FCADMP CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222026 852919485 /nfs/dbraw/zinc/91/94/85/852919485.db2.gz FYFUHMWUACTMAD-RBSFLKMASA-N 2 1 356.511 0.040 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1)OC ZINC001196667664 852993789 /nfs/dbraw/zinc/99/37/89/852993789.db2.gz QGEZIALPSPJWMW-ARFHVFGLSA-N 2 1 352.479 0.983 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1)OC ZINC001196667664 852993793 /nfs/dbraw/zinc/99/37/93/852993793.db2.gz QGEZIALPSPJWMW-ARFHVFGLSA-N 2 1 352.479 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O ZINC001196920121 853030829 /nfs/dbraw/zinc/03/08/29/853030829.db2.gz RUPQBENOWYZCAY-IAGOWNOFSA-N 2 1 352.479 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O ZINC001196920121 853030836 /nfs/dbraw/zinc/03/08/36/853030836.db2.gz RUPQBENOWYZCAY-IAGOWNOFSA-N 2 1 352.479 0.948 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001197140554 853066112 /nfs/dbraw/zinc/06/61/12/853066112.db2.gz YNUHUYOHXXVITQ-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001197140554 853066116 /nfs/dbraw/zinc/06/61/16/853066116.db2.gz YNUHUYOHXXVITQ-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404928 853110704 /nfs/dbraw/zinc/11/07/04/853110704.db2.gz XACAHJADQINHLW-QZTJIDSGSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404928 853110709 /nfs/dbraw/zinc/11/07/09/853110709.db2.gz XACAHJADQINHLW-QZTJIDSGSA-N 2 1 355.523 0.941 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1O ZINC001198019855 853205327 /nfs/dbraw/zinc/20/53/27/853205327.db2.gz AJFYDCYBLMEOCI-HUUCEWRRSA-N 2 1 363.487 0.694 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001199023104 853356396 /nfs/dbraw/zinc/35/63/96/853356396.db2.gz ANNPTSOTSGPNKM-HZPDHXFCSA-N 2 1 352.504 0.723 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001199023104 853356406 /nfs/dbraw/zinc/35/64/06/853356406.db2.gz ANNPTSOTSGPNKM-HZPDHXFCSA-N 2 1 352.504 0.723 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001199370590 853415030 /nfs/dbraw/zinc/41/50/30/853415030.db2.gz ZPXMHNKZOQYING-KZNAEPCWSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCCC[NH+]1CCOCC1 ZINC001199945754 853466042 /nfs/dbraw/zinc/46/60/42/853466042.db2.gz IYHVDJLIARVOKW-UHFFFAOYSA-N 3 1 373.611 0.789 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205513215 853619273 /nfs/dbraw/zinc/61/92/73/853619273.db2.gz GMEZSCLAJPQKOV-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739935 853717272 /nfs/dbraw/zinc/71/72/72/853717272.db2.gz XBDPLJSAPRYILV-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739935 853717277 /nfs/dbraw/zinc/71/72/77/853717277.db2.gz XBDPLJSAPRYILV-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001206739935 853717281 /nfs/dbraw/zinc/71/72/81/853717281.db2.gz XBDPLJSAPRYILV-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001206739935 853717284 /nfs/dbraw/zinc/71/72/84/853717284.db2.gz XBDPLJSAPRYILV-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(=O)(=O)CC)C[C@H]2C)CC[N@@H+]1C ZINC001207000666 853778122 /nfs/dbraw/zinc/77/81/22/853778122.db2.gz JOLADGDEQGJOSX-QKPAOTATSA-N 2 1 374.551 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(=O)(=O)CC)C[C@H]2C)CC[N@H+]1C ZINC001207000666 853778124 /nfs/dbraw/zinc/77/81/24/853778124.db2.gz JOLADGDEQGJOSX-QKPAOTATSA-N 2 1 374.551 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(=O)(=O)CC)C[C@H]2C)CC[NH+]1C ZINC001207000666 853778129 /nfs/dbraw/zinc/77/81/29/853778129.db2.gz JOLADGDEQGJOSX-QKPAOTATSA-N 2 1 374.551 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(=O)(=O)CC)C[C@H]2C)CC[NH+]1C ZINC001207000666 853778131 /nfs/dbraw/zinc/77/81/31/853778131.db2.gz JOLADGDEQGJOSX-QKPAOTATSA-N 2 1 374.551 0.093 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001207261935 853795717 /nfs/dbraw/zinc/79/57/17/853795717.db2.gz CPSXSQVPWKMDDH-BZUAXINKSA-N 2 1 358.502 0.970 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001207261935 853795720 /nfs/dbraw/zinc/79/57/20/853795720.db2.gz CPSXSQVPWKMDDH-BZUAXINKSA-N 2 1 358.502 0.970 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@H]3CCCOC3)CC2)C1 ZINC001207464257 853817588 /nfs/dbraw/zinc/81/75/88/853817588.db2.gz IMWNSTTUXUJIET-QGZVFWFLSA-N 2 1 353.507 0.916 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](CCC1CC[NH+](C)CC1)C[C@@H]2C(=O)N(C)C ZINC001207488537 853818650 /nfs/dbraw/zinc/81/86/50/853818650.db2.gz MNNKRKKFRDOWEE-QGZVFWFLSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)C1CC1 ZINC001207553867 853825138 /nfs/dbraw/zinc/82/51/38/853825138.db2.gz NCXWPQPUTSGUOX-QBIMZIAESA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)C1CC1 ZINC001207553867 853825141 /nfs/dbraw/zinc/82/51/41/853825141.db2.gz NCXWPQPUTSGUOX-QBIMZIAESA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568118 853827395 /nfs/dbraw/zinc/82/73/95/853827395.db2.gz PLPZTPXBSLHVFK-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568118 853827399 /nfs/dbraw/zinc/82/73/99/853827399.db2.gz PLPZTPXBSLHVFK-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568118 853827403 /nfs/dbraw/zinc/82/74/03/853827403.db2.gz PLPZTPXBSLHVFK-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568118 853827404 /nfs/dbraw/zinc/82/74/04/853827404.db2.gz PLPZTPXBSLHVFK-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207602815 853829440 /nfs/dbraw/zinc/82/94/40/853829440.db2.gz VQECTIJCYRBFJC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207602815 853829444 /nfs/dbraw/zinc/82/94/44/853829444.db2.gz VQECTIJCYRBFJC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207602815 853829446 /nfs/dbraw/zinc/82/94/46/853829446.db2.gz VQECTIJCYRBFJC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036706 853884917 /nfs/dbraw/zinc/88/49/17/853884917.db2.gz WCUMHNNTRPLJDG-LDBBTLTOSA-N 2 1 351.491 0.711 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036706 853884923 /nfs/dbraw/zinc/88/49/23/853884923.db2.gz WCUMHNNTRPLJDG-LDBBTLTOSA-N 2 1 351.491 0.711 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036706 853884928 /nfs/dbraw/zinc/88/49/28/853884928.db2.gz WCUMHNNTRPLJDG-LDBBTLTOSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001208070599 853891498 /nfs/dbraw/zinc/89/14/98/853891498.db2.gz NSGITOMRLHPPTA-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074073 853892597 /nfs/dbraw/zinc/89/25/97/853892597.db2.gz OEFNANBZCPEGFE-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163949 853901898 /nfs/dbraw/zinc/90/18/98/853901898.db2.gz LILWUALHJZHZPX-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001208187199 853903203 /nfs/dbraw/zinc/90/32/03/853903203.db2.gz SBYVEUSDVOSHRS-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001208187199 853903209 /nfs/dbraw/zinc/90/32/09/853903209.db2.gz SBYVEUSDVOSHRS-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438091 853934350 /nfs/dbraw/zinc/93/43/50/853934350.db2.gz CPRYDOSLNPPIEF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438091 853934358 /nfs/dbraw/zinc/93/43/58/853934358.db2.gz CPRYDOSLNPPIEF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485915 853940796 /nfs/dbraw/zinc/94/07/96/853940796.db2.gz WDVVEDFNYWLPIC-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001208530359 853946667 /nfs/dbraw/zinc/94/66/67/853946667.db2.gz RHJXMQQGFMQTLF-KBRIMQKVSA-N 2 1 350.511 0.918 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001208596145 853957108 /nfs/dbraw/zinc/95/71/08/853957108.db2.gz DCWUYBAOULCSJF-MJGOQNOKSA-N 2 1 353.507 0.772 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209149871 854002050 /nfs/dbraw/zinc/00/20/50/854002050.db2.gz IETWNOHLALVXQS-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209505869 854033047 /nfs/dbraw/zinc/03/30/47/854033047.db2.gz AMNAVZBDBFWRHO-HZSPNIEDSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209505869 854033050 /nfs/dbraw/zinc/03/30/50/854033050.db2.gz AMNAVZBDBFWRHO-HZSPNIEDSA-N 2 1 367.412 0.459 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210033716 854073217 /nfs/dbraw/zinc/07/32/17/854073217.db2.gz XFOHXGKWCAJKPT-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210033716 854073224 /nfs/dbraw/zinc/07/32/24/854073224.db2.gz XFOHXGKWCAJKPT-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210033716 854073228 /nfs/dbraw/zinc/07/32/28/854073228.db2.gz XFOHXGKWCAJKPT-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210276517 854095611 /nfs/dbraw/zinc/09/56/11/854095611.db2.gz KINNEXYTQXLIDL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210276517 854095597 /nfs/dbraw/zinc/09/55/97/854095597.db2.gz KINNEXYTQXLIDL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210276517 854095603 /nfs/dbraw/zinc/09/56/03/854095603.db2.gz KINNEXYTQXLIDL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210276517 854095608 /nfs/dbraw/zinc/09/56/08/854095608.db2.gz KINNEXYTQXLIDL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314937 854099566 /nfs/dbraw/zinc/09/95/66/854099566.db2.gz GWRHLNGMMXJPSH-KBAYOESNSA-N 2 1 355.523 0.942 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)ccn1 ZINC001210315873 854099579 /nfs/dbraw/zinc/09/95/79/854099579.db2.gz XRAOFSXZZSPMDZ-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)ccn1 ZINC001210315873 854099582 /nfs/dbraw/zinc/09/95/82/854099582.db2.gz XRAOFSXZZSPMDZ-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192004 854167359 /nfs/dbraw/zinc/16/73/59/854167359.db2.gz ZRPIIYBBPBZMTB-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309330 854175765 /nfs/dbraw/zinc/17/57/65/854175765.db2.gz AJAVEBFTDHFALI-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374136 854184158 /nfs/dbraw/zinc/18/41/58/854184158.db2.gz ANYCEVGDSLATFL-NUJGCVRESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374136 854184165 /nfs/dbraw/zinc/18/41/65/854184165.db2.gz ANYCEVGDSLATFL-NUJGCVRESA-N 2 1 350.507 0.776 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407871 854466163 /nfs/dbraw/zinc/46/61/63/854466163.db2.gz HBGJIRKANHYZLA-HUUCEWRRSA-N 2 1 352.504 0.985 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407871 854466165 /nfs/dbraw/zinc/46/61/65/854466165.db2.gz HBGJIRKANHYZLA-HUUCEWRRSA-N 2 1 352.504 0.985 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418603 854470989 /nfs/dbraw/zinc/47/09/89/854470989.db2.gz KMYHHBPIXNTAAH-BZUAXINKSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418603 854470995 /nfs/dbraw/zinc/47/09/95/854470995.db2.gz KMYHHBPIXNTAAH-BZUAXINKSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418603 854471000 /nfs/dbraw/zinc/47/10/00/854471000.db2.gz KMYHHBPIXNTAAH-BZUAXINKSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418603 854471009 /nfs/dbraw/zinc/47/10/09/854471009.db2.gz KMYHHBPIXNTAAH-BZUAXINKSA-N 2 1 354.495 0.330 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC)[NH+](C)C ZINC001212463215 854490229 /nfs/dbraw/zinc/49/02/29/854490229.db2.gz WQVDAVUZIVZILT-BRWVUGGUSA-N 2 1 351.495 0.656 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC)[NH+](C)C ZINC001212463215 854490231 /nfs/dbraw/zinc/49/02/31/854490231.db2.gz WQVDAVUZIVZILT-BRWVUGGUSA-N 2 1 351.495 0.656 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204577 854531963 /nfs/dbraw/zinc/53/19/63/854531963.db2.gz RYYBKNUVECPUCE-BZUAXINKSA-N 2 1 350.463 0.737 20 0 FCADMP CO[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204577 854531969 /nfs/dbraw/zinc/53/19/69/854531969.db2.gz RYYBKNUVECPUCE-BZUAXINKSA-N 2 1 350.463 0.737 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@H](OC)C1 ZINC001213204608 854532164 /nfs/dbraw/zinc/53/21/64/854532164.db2.gz UWCRXSWKIDXGHU-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP CCCCOCCN1C[C@@H](NC(=O)CCc2nccn2C)[C@H](OC)C1 ZINC001213204608 854532172 /nfs/dbraw/zinc/53/21/72/854532172.db2.gz UWCRXSWKIDXGHU-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252241 854551043 /nfs/dbraw/zinc/55/10/43/854551043.db2.gz FVLMUWYBJQIZHC-HZPDHXFCSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252241 854551046 /nfs/dbraw/zinc/55/10/46/854551046.db2.gz FVLMUWYBJQIZHC-HZPDHXFCSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348616 854584621 /nfs/dbraw/zinc/58/46/21/854584621.db2.gz PRSCDZYWMGTQIU-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348616 854584631 /nfs/dbraw/zinc/58/46/31/854584631.db2.gz PRSCDZYWMGTQIU-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001213439973 854616894 /nfs/dbraw/zinc/61/68/94/854616894.db2.gz CYHSAILIXAYYPS-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001213439973 854616895 /nfs/dbraw/zinc/61/68/95/854616895.db2.gz CYHSAILIXAYYPS-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001213439973 854616896 /nfs/dbraw/zinc/61/68/96/854616896.db2.gz CYHSAILIXAYYPS-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001213439973 854616897 /nfs/dbraw/zinc/61/68/97/854616897.db2.gz CYHSAILIXAYYPS-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440529 854617048 /nfs/dbraw/zinc/61/70/48/854617048.db2.gz SNPFBJWDQGJXMT-USXIJHARSA-N 2 1 350.463 0.606 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440529 854617053 /nfs/dbraw/zinc/61/70/53/854617053.db2.gz SNPFBJWDQGJXMT-USXIJHARSA-N 2 1 350.463 0.606 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC)[NH+](C)C ZINC001213458095 854625247 /nfs/dbraw/zinc/62/52/47/854625247.db2.gz LCRJGCBDLVZLLI-QLFBSQMISA-N 2 1 353.467 0.466 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671298 854708623 /nfs/dbraw/zinc/70/86/23/854708623.db2.gz AIRUKLDXEPCSAV-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671298 854708627 /nfs/dbraw/zinc/70/86/27/854708627.db2.gz AIRUKLDXEPCSAV-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671298 854708635 /nfs/dbraw/zinc/70/86/35/854708635.db2.gz AIRUKLDXEPCSAV-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671298 854708642 /nfs/dbraw/zinc/70/86/42/854708642.db2.gz AIRUKLDXEPCSAV-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730113 854739296 /nfs/dbraw/zinc/73/92/96/854739296.db2.gz FFXVEOVHDFKLRT-IAGOWNOFSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214662233 854988328 /nfs/dbraw/zinc/98/83/28/854988328.db2.gz ZZWJWVXCQAMIQM-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214780034 855012111 /nfs/dbraw/zinc/01/21/11/855012111.db2.gz IMFIFWXXXPVDNU-OAGGEKHMSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214861499 855025666 /nfs/dbraw/zinc/02/56/66/855025666.db2.gz UQLVMNWLZLJLIV-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001214996825 855049670 /nfs/dbraw/zinc/04/96/70/855049670.db2.gz DJEOPOXXDQKBCV-BZUAXINKSA-N 2 1 359.511 0.177 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC001215155819 855074600 /nfs/dbraw/zinc/07/46/00/855074600.db2.gz LOTRSKYFRQVCIU-DJIMGWMZSA-N 2 1 352.479 0.662 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393079 855108925 /nfs/dbraw/zinc/10/89/25/855108925.db2.gz NPCYBVINWNVBDG-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393079 855108932 /nfs/dbraw/zinc/10/89/32/855108932.db2.gz NPCYBVINWNVBDG-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215397056 855110096 /nfs/dbraw/zinc/11/00/96/855110096.db2.gz QPMSSUZVABLKSC-WBTNSWJXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001215540659 855125917 /nfs/dbraw/zinc/12/59/17/855125917.db2.gz PFMDPMHOEORQHZ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536058 855126184 /nfs/dbraw/zinc/12/61/84/855126184.db2.gz GCRRMNGULITNNA-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215540589 855126429 /nfs/dbraw/zinc/12/64/29/855126429.db2.gz MZXWWFUSTPWUBX-YNEHKIRRSA-N 2 1 366.491 0.255 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215536086 855126540 /nfs/dbraw/zinc/12/65/40/855126540.db2.gz HQXVPWCDYQQCDY-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215544264 855127225 /nfs/dbraw/zinc/12/72/25/855127225.db2.gz MRVHWCKYTHNYJU-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)C2 ZINC001215544241 855127388 /nfs/dbraw/zinc/12/73/88/855127388.db2.gz MBMUUWOEIFDTQQ-UKPHBRMFSA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncs2)C1)[NH+]1CCCC1 ZINC001215599017 855131640 /nfs/dbraw/zinc/13/16/40/855131640.db2.gz NKUSLFABGKDSDJ-QLFBSQMISA-N 2 1 367.519 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001215938532 855157972 /nfs/dbraw/zinc/15/79/72/855157972.db2.gz DLPMHAZMPVNRAO-ZIAGYGMSSA-N 2 1 367.412 0.724 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCOCC1CCC1 ZINC001215938788 855158730 /nfs/dbraw/zinc/15/87/30/855158730.db2.gz MZLQKWONVVVKHR-SJLPKXTDSA-N 2 1 353.507 0.962 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001215938686 855158812 /nfs/dbraw/zinc/15/88/12/855158812.db2.gz JQBVFSLONIRNJO-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216226290 855181999 /nfs/dbraw/zinc/18/19/99/855181999.db2.gz RMHUOZYDHDCVOE-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001216382856 855196691 /nfs/dbraw/zinc/19/66/91/855196691.db2.gz DVZVPONMQXCICJ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216511768 855209163 /nfs/dbraw/zinc/20/91/63/855209163.db2.gz ZJAZDEZMAJZMRN-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216511768 855209176 /nfs/dbraw/zinc/20/91/76/855209176.db2.gz ZJAZDEZMAJZMRN-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752153 855232076 /nfs/dbraw/zinc/23/20/76/855232076.db2.gz HPJDUVNHPWWXSV-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216852064 855259300 /nfs/dbraw/zinc/25/93/00/855259300.db2.gz NIHBJGLNTIEDAO-HZPDHXFCSA-N 2 1 361.552 0.976 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216852131 855260530 /nfs/dbraw/zinc/26/05/30/855260530.db2.gz QMVDSDUJTCEABH-UKRRQHHQSA-N 2 1 371.503 0.960 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523097 855434621 /nfs/dbraw/zinc/43/46/21/855434621.db2.gz HKRMWDCNNNBEDG-BBWFWOEESA-N 2 1 355.479 0.044 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523097 855434625 /nfs/dbraw/zinc/43/46/25/855434625.db2.gz HKRMWDCNNNBEDG-BBWFWOEESA-N 2 1 355.479 0.044 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523097 855434629 /nfs/dbraw/zinc/43/46/29/855434629.db2.gz HKRMWDCNNNBEDG-BBWFWOEESA-N 2 1 355.479 0.044 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523097 855434632 /nfs/dbraw/zinc/43/46/32/855434632.db2.gz HKRMWDCNNNBEDG-BBWFWOEESA-N 2 1 355.479 0.044 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@@H]32)CC1 ZINC001218550868 855438732 /nfs/dbraw/zinc/43/87/32/855438732.db2.gz QYBCYGHEEGMYPG-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)CC1 ZINC001218576090 855443870 /nfs/dbraw/zinc/44/38/70/855443870.db2.gz UXRLDCRWVXHTKH-ZWKOTPCHSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)CC1 ZINC001218576090 855443872 /nfs/dbraw/zinc/44/38/72/855443872.db2.gz UXRLDCRWVXHTKH-ZWKOTPCHSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796859 855817652 /nfs/dbraw/zinc/81/76/52/855817652.db2.gz TZKFESNSIFKNJD-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796859 855817653 /nfs/dbraw/zinc/81/76/53/855817653.db2.gz TZKFESNSIFKNJD-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796859 855817655 /nfs/dbraw/zinc/81/76/55/855817655.db2.gz TZKFESNSIFKNJD-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796859 855817657 /nfs/dbraw/zinc/81/76/57/855817657.db2.gz TZKFESNSIFKNJD-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1cc2c(s1)C[NH2+]CC2 ZINC001219809319 855827207 /nfs/dbraw/zinc/82/72/07/855827207.db2.gz IYRROJDHRQXEGT-UHFFFAOYSA-N 2 1 359.455 0.374 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073635 855946667 /nfs/dbraw/zinc/94/66/67/855946667.db2.gz FZWFDEVZDMCZCY-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073635 855946673 /nfs/dbraw/zinc/94/66/73/855946673.db2.gz FZWFDEVZDMCZCY-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073635 855946682 /nfs/dbraw/zinc/94/66/82/855946682.db2.gz FZWFDEVZDMCZCY-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CCCC1 ZINC001220078234 855948645 /nfs/dbraw/zinc/94/86/45/855948645.db2.gz KYZRPZMKVQYKGW-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345259 856077877 /nfs/dbraw/zinc/07/78/77/856077877.db2.gz SPJLBYHJEPCLDG-IKGGRYGDSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345259 856077881 /nfs/dbraw/zinc/07/78/81/856077881.db2.gz SPJLBYHJEPCLDG-IKGGRYGDSA-N 2 1 351.495 0.244 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359098 856082462 /nfs/dbraw/zinc/08/24/62/856082462.db2.gz AHTREFFHHZJBKQ-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359098 856082469 /nfs/dbraw/zinc/08/24/69/856082469.db2.gz AHTREFFHHZJBKQ-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359098 856082483 /nfs/dbraw/zinc/08/24/83/856082483.db2.gz AHTREFFHHZJBKQ-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220380877 856097563 /nfs/dbraw/zinc/09/75/63/856097563.db2.gz FINJDZAUPJMENI-IKGGRYGDSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220380877 856097573 /nfs/dbraw/zinc/09/75/73/856097573.db2.gz FINJDZAUPJMENI-IKGGRYGDSA-N 2 1 353.438 0.706 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535587 856171008 /nfs/dbraw/zinc/17/10/08/856171008.db2.gz GHQUBMVLSMSVLC-ZDUSSCGKSA-N 2 1 371.459 0.222 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220584516 856194670 /nfs/dbraw/zinc/19/46/70/856194670.db2.gz BCUVSSMSDLVTDO-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220584516 856194673 /nfs/dbraw/zinc/19/46/73/856194673.db2.gz BCUVSSMSDLVTDO-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220740655 856273806 /nfs/dbraw/zinc/27/38/06/856273806.db2.gz MWMLIOXIMDHGNA-SJORKVTESA-N 2 1 359.511 0.059 20 0 FCADMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764264 856287936 /nfs/dbraw/zinc/28/79/36/856287936.db2.gz FCUOIDAQEHYSMY-XYPHTWIQSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764264 856287953 /nfs/dbraw/zinc/28/79/53/856287953.db2.gz FCUOIDAQEHYSMY-XYPHTWIQSA-N 2 1 353.438 0.626 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800696 856306891 /nfs/dbraw/zinc/30/68/91/856306891.db2.gz UFCMLDBRRINPRL-JHJVBQTASA-N 3 1 364.412 0.096 20 0 FCADMP CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800696 856306899 /nfs/dbraw/zinc/30/68/99/856306899.db2.gz UFCMLDBRRINPRL-JHJVBQTASA-N 2 1 364.412 0.096 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC001220910950 856370079 /nfs/dbraw/zinc/37/00/79/856370079.db2.gz AHFQFQPFXDLLBR-RHSMWYFYSA-N 2 1 351.422 0.638 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001220985889 856407353 /nfs/dbraw/zinc/40/73/53/856407353.db2.gz IVOUIWCAFANYAK-UAGQMJEPSA-N 2 1 353.507 0.552 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220994082 856411780 /nfs/dbraw/zinc/41/17/80/856411780.db2.gz AHXQQGUIOYLKJD-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221081435 856452242 /nfs/dbraw/zinc/45/22/42/856452242.db2.gz LSZRSPNMRGPKKN-KSZLIROESA-N 2 1 353.507 0.983 20 0 FCADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221244269 856528095 /nfs/dbraw/zinc/52/80/95/856528095.db2.gz UPNSLPKLOGDKHD-MPGHIAIKSA-N 3 1 353.511 0.034 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H](C)C1 ZINC001221407673 856559482 /nfs/dbraw/zinc/55/94/82/856559482.db2.gz DUIPUIPJDIJATA-ILXRZTDVSA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616325 856625204 /nfs/dbraw/zinc/62/52/04/856625204.db2.gz JKZCKIIGZBTHJR-NUJGCVRESA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616325 856625209 /nfs/dbraw/zinc/62/52/09/856625209.db2.gz JKZCKIIGZBTHJR-NUJGCVRESA-N 2 1 350.507 0.726 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654918 856642742 /nfs/dbraw/zinc/64/27/42/856642742.db2.gz YLZUHPMMBUMCPN-IIAWOOMASA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654918 856642745 /nfs/dbraw/zinc/64/27/45/856642745.db2.gz YLZUHPMMBUMCPN-IIAWOOMASA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654918 856642750 /nfs/dbraw/zinc/64/27/50/856642750.db2.gz YLZUHPMMBUMCPN-IIAWOOMASA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654918 856642757 /nfs/dbraw/zinc/64/27/57/856642757.db2.gz YLZUHPMMBUMCPN-IIAWOOMASA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776997 856678871 /nfs/dbraw/zinc/67/88/71/856678871.db2.gz NHXUGDXCVHBYDS-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791557 856685784 /nfs/dbraw/zinc/68/57/84/856685784.db2.gz ROTGSGOZACKTQT-HUUCEWRRSA-N 2 1 352.504 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791557 856685788 /nfs/dbraw/zinc/68/57/88/856685788.db2.gz ROTGSGOZACKTQT-HUUCEWRRSA-N 2 1 352.504 0.703 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221841961 856703921 /nfs/dbraw/zinc/70/39/21/856703921.db2.gz PZZJEBPOYHACLS-HZPDHXFCSA-N 2 1 350.463 0.548 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221841961 856703929 /nfs/dbraw/zinc/70/39/29/856703929.db2.gz PZZJEBPOYHACLS-HZPDHXFCSA-N 2 1 350.463 0.548 20 0 FCADMP Cc1ncc(CO)c(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1O ZINC001279326522 862829997 /nfs/dbraw/zinc/82/99/97/862829997.db2.gz IGLIFYVNWAPINP-IRXDYDNUSA-N 2 1 350.463 0.035 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920673 856734596 /nfs/dbraw/zinc/73/45/96/856734596.db2.gz QHAFHNYLPTZBPC-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920673 856734599 /nfs/dbraw/zinc/73/45/99/856734599.db2.gz QHAFHNYLPTZBPC-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920673 856734604 /nfs/dbraw/zinc/73/46/04/856734604.db2.gz QHAFHNYLPTZBPC-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958635 856748374 /nfs/dbraw/zinc/74/83/74/856748374.db2.gz VVIGZVXXFOJOQV-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958635 856748380 /nfs/dbraw/zinc/74/83/80/856748380.db2.gz VVIGZVXXFOJOQV-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656422 856860784 /nfs/dbraw/zinc/86/07/84/856860784.db2.gz HLIKCFKGMHECIP-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656422 856860794 /nfs/dbraw/zinc/86/07/94/856860794.db2.gz HLIKCFKGMHECIP-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001222656422 856860804 /nfs/dbraw/zinc/86/08/04/856860804.db2.gz HLIKCFKGMHECIP-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001222656422 856860810 /nfs/dbraw/zinc/86/08/10/856860810.db2.gz HLIKCFKGMHECIP-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976497 856886084 /nfs/dbraw/zinc/88/60/84/856886084.db2.gz QZZGUIUSQNJRKR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976497 856886093 /nfs/dbraw/zinc/88/60/93/856886093.db2.gz QZZGUIUSQNJRKR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222976497 856886098 /nfs/dbraw/zinc/88/60/98/856886098.db2.gz QZZGUIUSQNJRKR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222976497 856886105 /nfs/dbraw/zinc/88/61/05/856886105.db2.gz QZZGUIUSQNJRKR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916918 856950836 /nfs/dbraw/zinc/95/08/36/856950836.db2.gz SUYDNWASZMLMRV-CVEARBPZSA-N 2 1 350.463 0.984 20 0 FCADMP Cc1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916918 856950846 /nfs/dbraw/zinc/95/08/46/856950846.db2.gz SUYDNWASZMLMRV-CVEARBPZSA-N 2 1 350.463 0.984 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCS(C)(=O)=O)[C@H]2C1 ZINC001223962441 856954784 /nfs/dbraw/zinc/95/47/84/856954784.db2.gz NZNXHNCEZROTFW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCS(C)(=O)=O)[C@H]2C1 ZINC001223962441 856954790 /nfs/dbraw/zinc/95/47/90/856954790.db2.gz NZNXHNCEZROTFW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001223962441 856954794 /nfs/dbraw/zinc/95/47/94/856954794.db2.gz NZNXHNCEZROTFW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001223962441 856954798 /nfs/dbraw/zinc/95/47/98/856954798.db2.gz NZNXHNCEZROTFW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130553 856962518 /nfs/dbraw/zinc/96/25/18/856962518.db2.gz QARIVAAIIXEVMY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130553 856962524 /nfs/dbraw/zinc/96/25/24/856962524.db2.gz QARIVAAIIXEVMY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130553 856962528 /nfs/dbraw/zinc/96/25/28/856962528.db2.gz QARIVAAIIXEVMY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130553 856962537 /nfs/dbraw/zinc/96/25/37/856962537.db2.gz QARIVAAIIXEVMY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227640 856970683 /nfs/dbraw/zinc/97/06/83/856970683.db2.gz NDGDTGXNUJNJFJ-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226775653 857125991 /nfs/dbraw/zinc/12/59/91/857125991.db2.gz VQDHNYZXRKHEKS-RBSFLKMASA-N 2 1 368.503 0.822 20 0 FCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354328 857155699 /nfs/dbraw/zinc/15/56/99/857155699.db2.gz ARISWFSHGZLJDW-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354328 857155710 /nfs/dbraw/zinc/15/57/10/857155710.db2.gz ARISWFSHGZLJDW-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001227354328 857155717 /nfs/dbraw/zinc/15/57/17/857155717.db2.gz ARISWFSHGZLJDW-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710555 857283376 /nfs/dbraw/zinc/28/33/76/857283376.db2.gz QEDDGZBDGBXRMN-HUUCEWRRSA-N 2 1 352.483 0.393 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229852808 857290324 /nfs/dbraw/zinc/29/03/24/857290324.db2.gz LUDTVHXAWAZQFQ-ZIAGYGMSSA-N 2 1 355.483 0.191 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCOC)C1 ZINC001230215122 857315157 /nfs/dbraw/zinc/31/51/57/857315157.db2.gz GOILYURLQJMWIG-BRWVUGGUSA-N 2 1 357.495 0.387 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCOC)C1 ZINC001230215122 857315159 /nfs/dbraw/zinc/31/51/59/857315159.db2.gz GOILYURLQJMWIG-BRWVUGGUSA-N 2 1 357.495 0.387 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC3(C2)C[NH+](CC2(C)CC[NH+](C)CC2)C3)c1 ZINC001279477271 862905870 /nfs/dbraw/zinc/90/58/70/862905870.db2.gz LATQZVDAFPVRIC-UHFFFAOYSA-N 2 1 367.519 0.458 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234403623 857404208 /nfs/dbraw/zinc/40/42/08/857404208.db2.gz VRIMJOSJICGIJS-HYVNUMGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234403623 857404216 /nfs/dbraw/zinc/40/42/16/857404216.db2.gz VRIMJOSJICGIJS-HYVNUMGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234403623 857404221 /nfs/dbraw/zinc/40/42/21/857404221.db2.gz VRIMJOSJICGIJS-HYVNUMGLSA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]CCCC[N@H+]1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001235455208 857424143 /nfs/dbraw/zinc/42/41/43/857424143.db2.gz QZCMEIVAJICUBQ-UHFFFAOYSA-N 2 1 350.467 0.362 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236310041 857438044 /nfs/dbraw/zinc/43/80/44/857438044.db2.gz RTDNUOTWRLPOLI-WKILWMFISA-N 3 1 356.511 0.472 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H](CN(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236310041 857438051 /nfs/dbraw/zinc/43/80/51/857438051.db2.gz RTDNUOTWRLPOLI-WKILWMFISA-N 2 1 356.511 0.472 20 0 FCADMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC(=S)NCCC[NH+]1CCOCC1 ZINC001239371099 857526683 /nfs/dbraw/zinc/52/66/83/857526683.db2.gz XVYOGDXNBLHEHI-AWEZNQCLSA-N 2 1 374.551 0.622 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@H](C1)N2 ZINC001246244920 857571189 /nfs/dbraw/zinc/57/11/89/857571189.db2.gz DDTHMFZVBSOPRA-GADNRMJZSA-N 2 1 351.491 0.807 20 0 FCADMP CC(=O)N1CCC(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)CC1 ZINC001279508101 862927372 /nfs/dbraw/zinc/92/73/72/862927372.db2.gz GYTLJNAHGZCIBS-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246456160 857580389 /nfs/dbraw/zinc/58/03/89/857580389.db2.gz HVYZVEFYPCJBLP-CQSZACIVSA-N 2 1 351.513 0.051 20 0 FCADMP C1[NH2+]CC12C[C@H](N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CS2 ZINC001246670026 857589702 /nfs/dbraw/zinc/58/97/02/857589702.db2.gz UOUQPLYDRWTTOY-AWEZNQCLSA-N 2 1 351.520 0.308 20 0 FCADMP C[C@@H]1C[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726414 857594206 /nfs/dbraw/zinc/59/42/06/857594206.db2.gz CUXBVYFVMRKFPT-IAGOWNOFSA-N 2 1 351.539 0.297 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737594 857595420 /nfs/dbraw/zinc/59/54/20/857595420.db2.gz DWJKOECDNUMXBH-DZVNLGKHSA-N 2 1 351.491 0.570 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)N2 ZINC001246869648 857604438 /nfs/dbraw/zinc/60/44/38/857604438.db2.gz GRNRAZAWQFPNPZ-ONWVLEABSA-N 3 1 350.507 0.414 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)[NH2+]2 ZINC001246869648 857604442 /nfs/dbraw/zinc/60/44/42/857604442.db2.gz GRNRAZAWQFPNPZ-ONWVLEABSA-N 3 1 350.507 0.414 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)[NH2+]2 ZINC001246869648 857604446 /nfs/dbraw/zinc/60/44/46/857604446.db2.gz GRNRAZAWQFPNPZ-ONWVLEABSA-N 3 1 350.507 0.414 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCN(CC(F)(F)F)CC1 ZINC001246925672 857606460 /nfs/dbraw/zinc/60/64/60/857606460.db2.gz OGFSDEMMSRTFIN-UHFFFAOYSA-N 3 1 353.433 0.129 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C1CCN(CC(F)(F)F)CC1 ZINC001246925672 857606463 /nfs/dbraw/zinc/60/64/63/857606463.db2.gz OGFSDEMMSRTFIN-UHFFFAOYSA-N 3 1 353.433 0.129 20 0 FCADMP CCOC(=O)CC1CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926456 857606655 /nfs/dbraw/zinc/60/66/55/857606655.db2.gz UGFSTSRBEWCTEF-UHFFFAOYSA-N 3 1 356.511 0.614 20 0 FCADMP CCOC(=O)CC1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926456 857606657 /nfs/dbraw/zinc/60/66/57/857606657.db2.gz UGFSTSRBEWCTEF-UHFFFAOYSA-N 2 1 356.511 0.614 20 0 FCADMP COC(=O)[C@]12CC[NH2+][C@H]1CN([C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1)CC2 ZINC001246992783 857609166 /nfs/dbraw/zinc/60/91/66/857609166.db2.gz ZDZGVCJUULDDRO-COJSNBRMSA-N 2 1 353.463 0.286 20 0 FCADMP CC(C)c1ccc(OC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO)cc1 ZINC001250768506 857660139 /nfs/dbraw/zinc/66/01/39/857660139.db2.gz GBXIHBAYYHVFKJ-GOSISDBHSA-N 2 1 354.491 0.816 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(F)cc2F)CC1 ZINC001250881780 857668725 /nfs/dbraw/zinc/66/87/25/857668725.db2.gz SWBKLUHOFNTONK-CQSZACIVSA-N 2 1 357.401 0.458 20 0 FCADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252057972 857780872 /nfs/dbraw/zinc/78/08/72/857780872.db2.gz SOFUUBAKZBRXSG-CABCVRRESA-N 2 1 355.504 0.799 20 0 FCADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252057972 857780876 /nfs/dbraw/zinc/78/08/76/857780876.db2.gz SOFUUBAKZBRXSG-CABCVRRESA-N 2 1 355.504 0.799 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252817870 857842435 /nfs/dbraw/zinc/84/24/35/857842435.db2.gz KSJNIUKTCBMSOH-WJFTUGDTSA-N 2 1 356.507 0.974 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC001253723206 857909508 /nfs/dbraw/zinc/90/95/08/857909508.db2.gz DQPXYDYANZLBAB-MRXNPFEDSA-N 2 1 355.523 0.896 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC001253723206 857909516 /nfs/dbraw/zinc/90/95/16/857909516.db2.gz DQPXYDYANZLBAB-MRXNPFEDSA-N 2 1 355.523 0.896 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(CC[NH3+])CC3)CC2)cc1 ZINC001254168959 857944987 /nfs/dbraw/zinc/94/49/87/857944987.db2.gz YBRVTUUYJOBFFS-UHFFFAOYSA-N 2 1 366.531 0.724 20 0 FCADMP CN(C)S(=O)(=O)N1CCCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1 ZINC001279617137 862982505 /nfs/dbraw/zinc/98/25/05/862982505.db2.gz QOJIGIJIIHUODQ-UHFFFAOYSA-N 2 1 367.519 0.979 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)NCCOCCOCCOCCOCC[NH3+] ZINC001255951280 858042454 /nfs/dbraw/zinc/04/24/54/858042454.db2.gz PJNPCRXIVLHZNO-GOSISDBHSA-N 2 1 363.543 0.722 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CC2CC[NH2+]CC2)c1 ZINC001279614996 862980887 /nfs/dbraw/zinc/98/08/87/862980887.db2.gz JAGLUZMAIZKSPU-GJZGRUSLSA-N 2 1 353.492 0.257 20 0 FCADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCS(=O)(=O)CC1 ZINC001256384444 858075120 /nfs/dbraw/zinc/07/51/20/858075120.db2.gz NQUNEOLQALLMKL-HNNXBMFYSA-N 2 1 368.503 0.715 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)C[NH+]1CCOCC1 ZINC001258363622 858192336 /nfs/dbraw/zinc/19/23/36/858192336.db2.gz GGOPUPTYYFJVFH-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(NS(C)(=O)=O)cc1)C2 ZINC001279728419 863029721 /nfs/dbraw/zinc/02/97/21/863029721.db2.gz PJSDWFDFHLOYNU-UHFFFAOYSA-N 2 1 352.504 0.880 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](S(N)(=O)=O)C3)CC2)CC1 ZINC001261551243 858590150 /nfs/dbraw/zinc/59/01/50/858590150.db2.gz BZMZYJIONJOUNJ-INIZCTEOSA-N 2 1 372.535 0.072 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1=O ZINC001262574516 859004261 /nfs/dbraw/zinc/00/42/61/859004261.db2.gz UNWWVGQLZLCHKI-WMLDXEAASA-N 2 1 353.438 0.628 20 0 FCADMP C[NH+](C)CCOc1cc(CNC(=O)C[NH+]2CCC(CO)CC2)ccn1 ZINC001262616420 859018942 /nfs/dbraw/zinc/01/89/42/859018942.db2.gz OHWKKXYYTJRQST-UHFFFAOYSA-N 2 1 350.463 0.343 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001262614823 859019043 /nfs/dbraw/zinc/01/90/43/859019043.db2.gz RGDOZOWPDQRLEG-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001262614823 859019056 /nfs/dbraw/zinc/01/90/56/859019056.db2.gz RGDOZOWPDQRLEG-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001262614823 859019069 /nfs/dbraw/zinc/01/90/69/859019069.db2.gz RGDOZOWPDQRLEG-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001263749044 859202378 /nfs/dbraw/zinc/20/23/78/859202378.db2.gz OWZHZQPHAVJKPW-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001263749044 859202388 /nfs/dbraw/zinc/20/23/88/859202388.db2.gz OWZHZQPHAVJKPW-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263749044 859202395 /nfs/dbraw/zinc/20/23/95/859202395.db2.gz OWZHZQPHAVJKPW-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263749044 859202402 /nfs/dbraw/zinc/20/24/02/859202402.db2.gz OWZHZQPHAVJKPW-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001269415783 859548655 /nfs/dbraw/zinc/54/86/55/859548655.db2.gz JHZBAJCCKZLPTR-QLFBSQMISA-N 2 1 357.520 0.390 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001269415784 859548960 /nfs/dbraw/zinc/54/89/60/859548960.db2.gz JHZBAJCCKZLPTR-RBSFLKMASA-N 2 1 357.520 0.390 20 0 FCADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]21 ZINC001269992767 859625035 /nfs/dbraw/zinc/62/50/35/859625035.db2.gz YBFCPVUZGMKKHZ-OAGGEKHMSA-N 2 1 353.511 0.940 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001270175436 859677689 /nfs/dbraw/zinc/67/76/89/859677689.db2.gz FHCBTMRSQMMIPJ-IBGZPJMESA-N 2 1 353.507 0.530 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001270175436 859677693 /nfs/dbraw/zinc/67/76/93/859677693.db2.gz FHCBTMRSQMMIPJ-IBGZPJMESA-N 2 1 353.507 0.530 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001272821954 860272603 /nfs/dbraw/zinc/27/26/03/860272603.db2.gz UKKGVNULMRDFNF-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)[C@H]3CCC[N@@H+](C)C3)(C1)CCC2 ZINC001273834146 860613288 /nfs/dbraw/zinc/61/32/88/860613288.db2.gz BOFKAMXMVSGUON-IPELMVKDSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273834101 860613304 /nfs/dbraw/zinc/61/33/04/860613304.db2.gz AMRWHMNMMYWOGD-PKOBYXMFSA-N 2 1 352.523 0.583 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001274202241 860706114 /nfs/dbraw/zinc/70/61/14/860706114.db2.gz BZQUVEBNPWGBDX-LSDHHAIUSA-N 2 1 364.515 0.941 20 0 FCADMP CCC[NH+](CCC)CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001274472438 860759464 /nfs/dbraw/zinc/75/94/64/860759464.db2.gz WJJVANRDOIKXQR-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507465 861115331 /nfs/dbraw/zinc/11/53/31/861115331.db2.gz CFUCKEULUDPUQF-RDTXWAMCSA-N 2 1 354.495 0.141 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507465 861115337 /nfs/dbraw/zinc/11/53/37/861115337.db2.gz CFUCKEULUDPUQF-RDTXWAMCSA-N 2 1 354.495 0.141 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275736839 861180642 /nfs/dbraw/zinc/18/06/42/861180642.db2.gz HSLXOHPOINXDMS-AFAVFJNCSA-N 2 1 359.417 0.512 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275736839 861180650 /nfs/dbraw/zinc/18/06/50/861180650.db2.gz HSLXOHPOINXDMS-AFAVFJNCSA-N 2 1 359.417 0.512 20 0 FCADMP NC(=O)CCCCCN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738283 861181490 /nfs/dbraw/zinc/18/14/90/861181490.db2.gz XTZOIFMRVPTBGA-LJQANCHMSA-N 2 1 350.507 0.956 20 0 FCADMP COC(CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2)OC ZINC001275738291 861182340 /nfs/dbraw/zinc/18/23/40/861182340.db2.gz XVZRDPUHLMWDMD-SFHVURJKSA-N 2 1 355.479 0.156 20 0 FCADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280019887 863190672 /nfs/dbraw/zinc/19/06/72/863190672.db2.gz BBPGZQORLGZSAC-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126665 863277881 /nfs/dbraw/zinc/27/78/81/863277881.db2.gz YFDZJHVBWOPXEZ-SQNIBIBYSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+]1CCC(CC[NH+]2CC3(C[C@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280140916 863290039 /nfs/dbraw/zinc/29/00/39/863290039.db2.gz OGGQMQGHXIKBNS-HNNXBMFYSA-N 2 1 357.520 0.201 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@H]2C1 ZINC001280187701 863315998 /nfs/dbraw/zinc/31/59/98/863315998.db2.gz KUJFFRXPAQMPEV-HOTGVXAUSA-N 2 1 352.523 0.079 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C[C@@H]4CCCO4)C[C@H]23)CC1 ZINC001280191153 863320007 /nfs/dbraw/zinc/32/00/07/863320007.db2.gz FGCZLKYDDLETFL-HRCADAONSA-N 2 1 350.463 0.405 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](C[C@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195814 863324532 /nfs/dbraw/zinc/32/45/32/863324532.db2.gz VSUXXOZOZYSWJX-DDBAPUKQSA-N 2 1 351.491 0.855 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001280237272 863354167 /nfs/dbraw/zinc/35/41/67/863354167.db2.gz PGJDTCPAHMPYMQ-DNVCBOLYSA-N 2 1 350.507 0.635 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCCN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280246426 863358460 /nfs/dbraw/zinc/35/84/60/863358460.db2.gz YJDHGANKSPSDLK-BGYRXZFFSA-N 3 1 351.583 0.829 20 0 FCADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280246426 863358471 /nfs/dbraw/zinc/35/84/71/863358471.db2.gz YJDHGANKSPSDLK-BGYRXZFFSA-N 3 1 351.583 0.829 20 0 FCADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280246426 863358483 /nfs/dbraw/zinc/35/84/83/863358483.db2.gz YJDHGANKSPSDLK-BGYRXZFFSA-N 3 1 351.583 0.829 20 0 FCADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280246426 863358495 /nfs/dbraw/zinc/35/84/95/863358495.db2.gz YJDHGANKSPSDLK-BGYRXZFFSA-N 3 1 351.583 0.829 20 0 FCADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280246426 863358507 /nfs/dbraw/zinc/35/85/07/863358507.db2.gz YJDHGANKSPSDLK-BGYRXZFFSA-N 3 1 351.583 0.829 20 0 FCADMP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259059 863366411 /nfs/dbraw/zinc/36/64/11/863366411.db2.gz VODKAOHTIQIKHI-MHORFTMASA-N 2 1 353.507 0.912 20 0 FCADMP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259059 863366417 /nfs/dbraw/zinc/36/64/17/863366417.db2.gz VODKAOHTIQIKHI-MHORFTMASA-N 2 1 353.507 0.912 20 0 FCADMP COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280259755 863367213 /nfs/dbraw/zinc/36/72/13/863367213.db2.gz ZVUGTIDENBMQGU-SJORKVTESA-N 2 1 353.507 0.772 20 0 FCADMP COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280259755 863367229 /nfs/dbraw/zinc/36/72/29/863367229.db2.gz ZVUGTIDENBMQGU-SJORKVTESA-N 2 1 353.507 0.772 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001281968505 864009673 /nfs/dbraw/zinc/00/96/73/864009673.db2.gz YWUQIQLRWNPPTD-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1)[NH+](C)C ZINC001282307520 864180993 /nfs/dbraw/zinc/18/09/93/864180993.db2.gz YQIXLRXWYGPEIE-IKGGRYGDSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1)[NH+](C)C ZINC001289501052 865102042 /nfs/dbraw/zinc/10/20/42/865102042.db2.gz LTUZDLWUQZAMIR-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001349417662 866336624 /nfs/dbraw/zinc/33/66/24/866336624.db2.gz IFXKIXYXPYUCRB-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001349991418 866486321 /nfs/dbraw/zinc/48/63/21/866486321.db2.gz FTHAQYVSRATEGO-JYJNAYRXSA-N 2 1 354.495 0.093 20 0 FCADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)CN1CC[NH+](C)CC1 ZINC001306858812 866631562 /nfs/dbraw/zinc/63/15/62/866631562.db2.gz YIBBUTCAUFOTBR-UHFFFAOYSA-N 2 1 350.463 0.822 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC001308250191 866711116 /nfs/dbraw/zinc/71/11/16/866711116.db2.gz GZTUNKKTEODRHT-UHFFFAOYSA-N 2 1 353.492 0.233 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351213719 866814580 /nfs/dbraw/zinc/81/45/80/866814580.db2.gz UFWJWNICCRAJCN-XIRDDKMYSA-N 2 1 353.511 0.173 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001311891426 867127835 /nfs/dbraw/zinc/12/78/35/867127835.db2.gz MAUGMLDYGQWOMM-OAHLLOKOSA-N 2 1 360.524 0.231 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC001353150568 867361050 /nfs/dbraw/zinc/36/10/50/867361050.db2.gz UGLVLGFWGANHHF-GJZGRUSLSA-N 2 1 360.449 0.144 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001353591282 867453535 /nfs/dbraw/zinc/45/35/35/867453535.db2.gz JDXUIZJMESJISP-QGZVFWFLSA-N 2 1 365.909 0.482 20 0 FCADMP CCC[C@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1CCOC ZINC001354157351 867555572 /nfs/dbraw/zinc/55/55/72/867555572.db2.gz BNKJQTHMTXXJAZ-HOTGVXAUSA-N 2 1 354.495 0.143 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001354312930 867580616 /nfs/dbraw/zinc/58/06/16/867580616.db2.gz FYHUEHWKTGEZHP-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC001354312930 867580626 /nfs/dbraw/zinc/58/06/26/867580626.db2.gz FYHUEHWKTGEZHP-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC001354312930 867580640 /nfs/dbraw/zinc/58/06/40/867580640.db2.gz FYHUEHWKTGEZHP-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC001319046513 867815273 /nfs/dbraw/zinc/81/52/73/867815273.db2.gz MGSIIPCDVDIHTO-UHFFFAOYSA-N 2 1 355.527 0.160 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCCC2)CC[N@H+]1C ZINC001356937283 868061066 /nfs/dbraw/zinc/06/10/66/868061066.db2.gz DWTAFPYXMUOIPC-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)CC[NH+]1C ZINC001356937283 868061074 /nfs/dbraw/zinc/06/10/74/868061074.db2.gz DWTAFPYXMUOIPC-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)CC[NH+]1C ZINC001356937283 868061082 /nfs/dbraw/zinc/06/10/82/868061082.db2.gz DWTAFPYXMUOIPC-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]CCN3C)CC2)cs1 ZINC001357404936 868110039 /nfs/dbraw/zinc/11/00/39/868110039.db2.gz QEDRBFFOSQZDMF-INIZCTEOSA-N 2 1 365.547 0.937 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001357434954 868114409 /nfs/dbraw/zinc/11/44/09/868114409.db2.gz ODLODDKZTHMOPC-JKSUJKDBSA-N 2 1 352.479 0.119 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001322524014 868843660 /nfs/dbraw/zinc/84/36/60/868843660.db2.gz FCQIZNABRAPEGZ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001322524014 868843671 /nfs/dbraw/zinc/84/36/71/868843671.db2.gz FCQIZNABRAPEGZ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001322524014 868843685 /nfs/dbraw/zinc/84/36/85/868843685.db2.gz FCQIZNABRAPEGZ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1(C)C ZINC001326356914 870272468 /nfs/dbraw/zinc/27/24/68/870272468.db2.gz OVHIBVZAGVVKOJ-KDOFPFPSSA-N 2 1 354.495 0.188 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)NC(=O)N[C@H]1C ZINC001326584293 870396783 /nfs/dbraw/zinc/39/67/83/870396783.db2.gz VFJXUIVLTFLCHZ-ZDUSSCGKSA-N 2 1 350.463 0.971 20 0 FCADMP CC(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001343522967 870468694 /nfs/dbraw/zinc/46/86/94/870468694.db2.gz JBPIHJAPBRELSW-ZDUSSCGKSA-N 2 1 350.467 0.950 20 0 FCADMP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC001326819197 870513759 /nfs/dbraw/zinc/51/37/59/870513759.db2.gz KDAUEODXCLDVEH-WBVHZDCISA-N 2 1 359.536 0.196 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087946 870662246 /nfs/dbraw/zinc/66/22/46/870662246.db2.gz USPPUMVLNYMISI-NVXWUHKLSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087946 870662253 /nfs/dbraw/zinc/66/22/53/870662253.db2.gz USPPUMVLNYMISI-NVXWUHKLSA-N 2 1 350.507 0.907 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457409 871443813 /nfs/dbraw/zinc/44/38/13/871443813.db2.gz RILJTCGVJYFXIE-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001328457409 871443824 /nfs/dbraw/zinc/44/38/24/871443824.db2.gz RILJTCGVJYFXIE-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001328457409 871443835 /nfs/dbraw/zinc/44/38/35/871443835.db2.gz RILJTCGVJYFXIE-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328491018 871458735 /nfs/dbraw/zinc/45/87/35/871458735.db2.gz BCVOMQUIWTUSDV-UHFFFAOYSA-N 2 1 366.487 0.738 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328747118 871606180 /nfs/dbraw/zinc/60/61/80/871606180.db2.gz SMVAYUYYNWGRDU-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP CS(=O)(=O)c1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC001330783246 872813950 /nfs/dbraw/zinc/81/39/50/872813950.db2.gz IISCZZBSJULIDU-UHFFFAOYSA-N 2 1 363.487 0.696 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331906814 873299427 /nfs/dbraw/zinc/29/94/27/873299427.db2.gz XNSPICAMOQUKER-IRXDYDNUSA-N 2 1 353.511 0.163 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963639 873316609 /nfs/dbraw/zinc/31/66/09/873316609.db2.gz IFULMJRULWBULB-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963639 873316623 /nfs/dbraw/zinc/31/66/23/873316623.db2.gz IFULMJRULWBULB-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001332517416 873540797 /nfs/dbraw/zinc/54/07/97/873540797.db2.gz QSTZTVBZZZAXNU-ROUUACIJSA-N 2 1 352.523 0.759 20 0 FCADMP CC1(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001333618204 874011359 /nfs/dbraw/zinc/01/13/59/874011359.db2.gz KYHOZCIKHONOTE-MRXNPFEDSA-N 2 1 353.511 0.224 20 0 FCADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926919 949029639 /nfs/dbraw/zinc/02/96/39/949029639.db2.gz ZTFINHYFRATTTQ-CYBMUJFWSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711886 949558628 /nfs/dbraw/zinc/55/86/28/949558628.db2.gz NLTAJJQQSNZUPG-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711886 949558651 /nfs/dbraw/zinc/55/86/51/949558651.db2.gz NLTAJJQQSNZUPG-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712702 949583323 /nfs/dbraw/zinc/58/33/23/949583323.db2.gz TUDWRLPIGYFRHR-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712702 949583338 /nfs/dbraw/zinc/58/33/38/949583338.db2.gz TUDWRLPIGYFRHR-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575876236 949642755 /nfs/dbraw/zinc/64/27/55/949642755.db2.gz JMYPESADUONNSS-OCCSQVGLSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197176 950387872 /nfs/dbraw/zinc/38/78/72/950387872.db2.gz LGUCMJFFUCTGJZ-KGLIPLIRSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198487 950410759 /nfs/dbraw/zinc/41/07/59/950410759.db2.gz TYJHBGPCESRFAO-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198487 950410770 /nfs/dbraw/zinc/41/07/70/950410770.db2.gz TYJHBGPCESRFAO-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205666 950533642 /nfs/dbraw/zinc/53/36/42/950533642.db2.gz MFLLBBJSOFCTBN-CQSZACIVSA-N 2 1 369.473 0.757 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208950 950621497 /nfs/dbraw/zinc/62/14/97/950621497.db2.gz VRELADLUFGUOGL-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208950 950621512 /nfs/dbraw/zinc/62/15/12/950621512.db2.gz VRELADLUFGUOGL-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208950 950621521 /nfs/dbraw/zinc/62/15/21/950621521.db2.gz VRELADLUFGUOGL-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214571 950674150 /nfs/dbraw/zinc/67/41/50/950674150.db2.gz QBMWWLPXJOYAQE-KBRIMQKVSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576215464 950699619 /nfs/dbraw/zinc/69/96/19/950699619.db2.gz VNCGVTOTMIRNHF-FVQBIDKESA-N 2 1 369.473 0.945 20 0 FCADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC[NH+](C)C ZINC001574771475 950926401 /nfs/dbraw/zinc/92/64/01/950926401.db2.gz FPKPOSIXWOEXBD-GFCCVEGCSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC[NH+](C)C ZINC001574771475 950926417 /nfs/dbraw/zinc/92/64/17/950926417.db2.gz FPKPOSIXWOEXBD-GFCCVEGCSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092029 951788957 /nfs/dbraw/zinc/78/89/57/951788957.db2.gz YGGLJMCHSCJOBA-CZUORRHYSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092029 951788962 /nfs/dbraw/zinc/78/89/62/951788962.db2.gz YGGLJMCHSCJOBA-CZUORRHYSA-N 2 1 373.461 0.039 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063195 951964193 /nfs/dbraw/zinc/96/41/93/951964193.db2.gz JSYOOBJCKFHQQQ-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064640 951977699 /nfs/dbraw/zinc/97/76/99/951977699.db2.gz WASJUTQFTNXTPT-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064640 951977704 /nfs/dbraw/zinc/97/77/04/951977704.db2.gz WASJUTQFTNXTPT-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064640 951977714 /nfs/dbraw/zinc/97/77/14/951977714.db2.gz WASJUTQFTNXTPT-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065050 951983112 /nfs/dbraw/zinc/98/31/12/951983112.db2.gz YYQHUNSAFKIQEK-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065050 951983118 /nfs/dbraw/zinc/98/31/18/951983118.db2.gz YYQHUNSAFKIQEK-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065050 951983122 /nfs/dbraw/zinc/98/31/22/951983122.db2.gz YYQHUNSAFKIQEK-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571075733 952095065 /nfs/dbraw/zinc/09/50/65/952095065.db2.gz BOWMCIMYKRGQEL-WOSRLPQWSA-N 2 1 370.461 0.284 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077445 952119801 /nfs/dbraw/zinc/11/98/01/952119801.db2.gz AREKEDATLAXLBR-ZIAGYGMSSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001571077795 952122233 /nfs/dbraw/zinc/12/22/33/952122233.db2.gz HHPNSEIWHYAWCP-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001571077795 952122236 /nfs/dbraw/zinc/12/22/36/952122236.db2.gz HHPNSEIWHYAWCP-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078913 952135543 /nfs/dbraw/zinc/13/55/43/952135543.db2.gz XRJBJICCRSLFFR-MELADBBJSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078912 952135804 /nfs/dbraw/zinc/13/58/04/952135804.db2.gz XRJBJICCRSLFFR-BFHYXJOUSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105103 952387568 /nfs/dbraw/zinc/38/75/68/952387568.db2.gz HQXREFNTBOOPQQ-ZBFHGGJFSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571105365 952393957 /nfs/dbraw/zinc/39/39/57/952393957.db2.gz OOEYAOOAJANEKJ-LSDHHAIUSA-N 2 1 373.436 0.648 20 0 FCADMP Cn1ncc(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000293491939 214178822 /nfs/dbraw/zinc/17/88/22/214178822.db2.gz GRJAPOFHYPNBGM-AWEZNQCLSA-N 2 1 358.450 0.200 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410785046 529696745 /nfs/dbraw/zinc/69/67/45/529696745.db2.gz SMCZYEKKYQFZRO-ULQDDVLXSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410785046 529696748 /nfs/dbraw/zinc/69/67/48/529696748.db2.gz SMCZYEKKYQFZRO-ULQDDVLXSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000410534802 529696800 /nfs/dbraw/zinc/69/68/00/529696800.db2.gz NOXHHYRCBHXOMD-KRWDZBQOSA-N 2 1 370.538 0.479 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@H]2C1 ZINC000410983662 529796534 /nfs/dbraw/zinc/79/65/34/529796534.db2.gz QBTXLZLHKQSMQG-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)C2)CC1 ZINC000410965300 530050879 /nfs/dbraw/zinc/05/08/79/530050879.db2.gz BLKMKOWWRQSGIG-KURKYZTESA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752924 674055672 /nfs/dbraw/zinc/05/56/72/674055672.db2.gz XPRFHLTWCRMHOG-RBUKOAKNSA-N 2 1 355.523 0.381 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCSC1 ZINC000331540169 215012155 /nfs/dbraw/zinc/01/21/55/215012155.db2.gz PKIXURVDXPGELU-CPUCHLNUSA-N 2 1 354.520 0.093 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[NH+](C)C1 ZINC000331542492 215013247 /nfs/dbraw/zinc/01/32/47/215013247.db2.gz PQMMAIIQEOVVHA-QZWWFDLISA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)[N@H+](C)C1 ZINC000331542492 215013250 /nfs/dbraw/zinc/01/32/50/215013250.db2.gz PQMMAIIQEOVVHA-QZWWFDLISA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)[N@@H+](C)C1 ZINC000331542492 215013253 /nfs/dbraw/zinc/01/32/53/215013253.db2.gz PQMMAIIQEOVVHA-QZWWFDLISA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000331547592 215013585 /nfs/dbraw/zinc/01/35/85/215013585.db2.gz BEQFBDMRXUVYQV-TUVASFSCSA-N 2 1 352.479 0.301 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000331600750 215020843 /nfs/dbraw/zinc/02/08/43/215020843.db2.gz ZRZGRAOLSNWCAG-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000331930338 215068950 /nfs/dbraw/zinc/06/89/50/215068950.db2.gz DTLOQDOANJHDFC-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000332017047 215079812 /nfs/dbraw/zinc/07/98/12/215079812.db2.gz LDEDEFOTWLUJRU-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000332017047 215079814 /nfs/dbraw/zinc/07/98/14/215079814.db2.gz LDEDEFOTWLUJRU-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332017047 215079816 /nfs/dbraw/zinc/07/98/16/215079816.db2.gz LDEDEFOTWLUJRU-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332017047 215079817 /nfs/dbraw/zinc/07/98/17/215079817.db2.gz LDEDEFOTWLUJRU-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332022542 215079938 /nfs/dbraw/zinc/07/99/38/215079938.db2.gz GJSDOBOBTPMTKG-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1CC(C)(C)O ZINC000332022542 215079939 /nfs/dbraw/zinc/07/99/39/215079939.db2.gz GJSDOBOBTPMTKG-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000332022542 215079941 /nfs/dbraw/zinc/07/99/41/215079941.db2.gz GJSDOBOBTPMTKG-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000332022542 215079943 /nfs/dbraw/zinc/07/99/43/215079943.db2.gz GJSDOBOBTPMTKG-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000332061499 215086474 /nfs/dbraw/zinc/08/64/74/215086474.db2.gz YDMHQXLSEDKQRR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000332061499 215086477 /nfs/dbraw/zinc/08/64/77/215086477.db2.gz YDMHQXLSEDKQRR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332061499 215086479 /nfs/dbraw/zinc/08/64/79/215086479.db2.gz YDMHQXLSEDKQRR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000332076279 215087363 /nfs/dbraw/zinc/08/73/63/215087363.db2.gz ZEUDVFAAYIOJFV-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332080135 215088464 /nfs/dbraw/zinc/08/84/64/215088464.db2.gz JFAXTDRJIQVBGE-DLBZAZTESA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332080135 215088467 /nfs/dbraw/zinc/08/84/67/215088467.db2.gz JFAXTDRJIQVBGE-DLBZAZTESA-N 2 1 373.501 0.980 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H]1[NH+](C)C ZINC000332134938 215099796 /nfs/dbraw/zinc/09/97/96/215099796.db2.gz LTFFBBVNVICKRG-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000332417229 215148891 /nfs/dbraw/zinc/14/88/91/215148891.db2.gz VEEQZMRPHSWZLB-KRWDZBQOSA-N 2 1 350.507 0.635 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332462419 215156280 /nfs/dbraw/zinc/15/62/80/215156280.db2.gz JPDGJKKMVWGJBF-BZUAXINKSA-N 2 1 351.495 0.452 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000332513776 215164364 /nfs/dbraw/zinc/16/43/64/215164364.db2.gz LFZABGNTPCIZDF-HZPDHXFCSA-N 2 1 359.474 0.767 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332533492 215171171 /nfs/dbraw/zinc/17/11/71/215171171.db2.gz RTNUGPDRTOPIFG-HLLBOEOZSA-N 2 1 366.506 0.284 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000332532503 215171374 /nfs/dbraw/zinc/17/13/74/215171374.db2.gz HQYPGGHFSNZZEK-JKSUJKDBSA-N 2 1 359.474 0.482 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000332932511 215219277 /nfs/dbraw/zinc/21/92/77/215219277.db2.gz IIXQTDDFXJASCX-LMMKCTJWSA-N 2 1 369.506 0.339 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1(C)C ZINC000333119851 215238034 /nfs/dbraw/zinc/23/80/34/215238034.db2.gz UTKPZXWYTUWLEK-QGZVFWFLSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000333258291 215255829 /nfs/dbraw/zinc/25/58/29/215255829.db2.gz LRQGMGBJSUAKBV-YOEHRIQHSA-N 2 1 358.552 0.910 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CC(C)(C)O ZINC000333282122 215258535 /nfs/dbraw/zinc/25/85/35/215258535.db2.gz PPSNVYZJOQTAFK-YOEHRIQHSA-N 2 1 358.552 0.910 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCN3CCCS3(=O)=O)CC2)C[C@H](C)O1 ZINC000333295066 215260107 /nfs/dbraw/zinc/26/01/07/215260107.db2.gz AYIOLSOLURZYHG-IYBDPMFKSA-N 2 1 359.536 0.843 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333298176 215260324 /nfs/dbraw/zinc/26/03/24/215260324.db2.gz IOIPAQBYRVRFNG-YESZJQIVSA-N 2 1 354.495 0.635 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333484387 215287888 /nfs/dbraw/zinc/28/78/88/215287888.db2.gz CMPOJMHQCOQMMM-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333484387 215287890 /nfs/dbraw/zinc/28/78/90/215287890.db2.gz CMPOJMHQCOQMMM-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333493333 215288134 /nfs/dbraw/zinc/28/81/34/215288134.db2.gz GZEPZMQUQFWRPS-IHXKFAGKSA-N 2 1 350.507 0.848 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000333494941 215290538 /nfs/dbraw/zinc/29/05/38/215290538.db2.gz DSZNXIFLJGYXPW-RDBSUJKOSA-N 2 1 363.428 0.558 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333774618 215317753 /nfs/dbraw/zinc/31/77/53/215317753.db2.gz CPWZSRKPCFGHEO-CALCHBBNSA-N 2 1 367.538 0.422 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333789765 215318399 /nfs/dbraw/zinc/31/83/99/215318399.db2.gz FZNYLTOHWLZRAK-OAHLLOKOSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000333807383 215320797 /nfs/dbraw/zinc/32/07/97/215320797.db2.gz IRPPIWNEHDEURF-YVSFHVDLSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000333807383 215320801 /nfs/dbraw/zinc/32/08/01/215320801.db2.gz IRPPIWNEHDEURF-YVSFHVDLSA-N 2 1 354.495 0.648 20 0 FCADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333810495 215321038 /nfs/dbraw/zinc/32/10/38/215321038.db2.gz POJCMNXKIXWNON-SJORKVTESA-N 2 1 363.506 0.609 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333810495 215321042 /nfs/dbraw/zinc/32/10/42/215321042.db2.gz POJCMNXKIXWNON-SJORKVTESA-N 2 1 363.506 0.609 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000333864658 215326568 /nfs/dbraw/zinc/32/65/68/215326568.db2.gz SSSHUBYTDZEPMO-SJORKVTESA-N 2 1 353.511 0.032 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C(=O)N1CCCCC1 ZINC000333874440 215326858 /nfs/dbraw/zinc/32/68/58/215326858.db2.gz SOICIPSCGWMJKA-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333891378 215328720 /nfs/dbraw/zinc/32/87/20/215328720.db2.gz YUXLCJRGPSNLHK-OKZBNKHCSA-N 2 1 372.517 0.938 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333891378 215328728 /nfs/dbraw/zinc/32/87/28/215328728.db2.gz YUXLCJRGPSNLHK-OKZBNKHCSA-N 2 1 372.517 0.938 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000333913278 215331285 /nfs/dbraw/zinc/33/12/85/215331285.db2.gz FTZCYGKVRJICFI-MRXNPFEDSA-N 2 1 351.495 0.182 20 0 FCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333938480 215332381 /nfs/dbraw/zinc/33/23/81/215332381.db2.gz MLSQJYMNOXMQLJ-INIZCTEOSA-N 2 1 363.531 0.795 20 0 FCADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333938480 215332386 /nfs/dbraw/zinc/33/23/86/215332386.db2.gz MLSQJYMNOXMQLJ-INIZCTEOSA-N 2 1 363.531 0.795 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333941840 215332743 /nfs/dbraw/zinc/33/27/43/215332743.db2.gz PKQUNRFAKDQNLU-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000333941840 215332745 /nfs/dbraw/zinc/33/27/45/215332745.db2.gz PKQUNRFAKDQNLU-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000285773328 213393731 /nfs/dbraw/zinc/39/37/31/213393731.db2.gz FEPACMCIWVTCLH-UHFFFAOYSA-N 2 1 363.487 0.960 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334115997 215345658 /nfs/dbraw/zinc/34/56/58/215345658.db2.gz HEYMQPOTRMFBJG-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013892 215379425 /nfs/dbraw/zinc/37/94/25/215379425.db2.gz WQTVKSRDDBJOIE-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000361013892 215379428 /nfs/dbraw/zinc/37/94/28/215379428.db2.gz WQTVKSRDDBJOIE-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000361013892 215379430 /nfs/dbraw/zinc/37/94/30/215379430.db2.gz WQTVKSRDDBJOIE-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000285327337 213323682 /nfs/dbraw/zinc/32/36/82/213323682.db2.gz FEDRAXBGAPFLFT-INIZCTEOSA-N 2 1 370.457 0.745 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CC1 ZINC000285106840 213283778 /nfs/dbraw/zinc/28/37/78/213283778.db2.gz QKWOYQSDWWUXKA-UHFFFAOYSA-N 2 1 359.405 0.838 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000284727291 213207167 /nfs/dbraw/zinc/20/71/67/213207167.db2.gz GWPXFIIHFCXBSS-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284709660 213201980 /nfs/dbraw/zinc/20/19/80/213201980.db2.gz XHLMKHHUVWDGLE-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284709660 213201981 /nfs/dbraw/zinc/20/19/81/213201981.db2.gz XHLMKHHUVWDGLE-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284651807 213190963 /nfs/dbraw/zinc/19/09/63/213190963.db2.gz ZWMJUVCULCGCPW-CQSZACIVSA-N 2 1 370.519 0.552 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284556581 213168273 /nfs/dbraw/zinc/16/82/73/213168273.db2.gz VKNJGAUMGBPTJI-GJZGRUSLSA-N 2 1 350.463 0.941 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284499587 213155640 /nfs/dbraw/zinc/15/56/40/213155640.db2.gz SDICNEAZNHSBOC-AWEZNQCLSA-N 2 1 354.451 0.083 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284499587 213155645 /nfs/dbraw/zinc/15/56/45/213155645.db2.gz SDICNEAZNHSBOC-AWEZNQCLSA-N 2 1 354.451 0.083 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000284391733 213129002 /nfs/dbraw/zinc/12/90/02/213129002.db2.gz MQTNNZBEAXZGTR-HNNXBMFYSA-N 2 1 366.462 0.226 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000284346535 213116525 /nfs/dbraw/zinc/11/65/25/213116525.db2.gz RNEHLHRDJIPEJV-UHFFFAOYSA-N 2 1 367.494 0.515 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284311411 213108964 /nfs/dbraw/zinc/10/89/64/213108964.db2.gz ZHAHGHTYNMIOJF-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284147118 213083686 /nfs/dbraw/zinc/08/36/86/213083686.db2.gz QKTQQLJLZGNBGK-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000284147118 213083688 /nfs/dbraw/zinc/08/36/88/213083688.db2.gz QKTQQLJLZGNBGK-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284147118 213083691 /nfs/dbraw/zinc/08/36/91/213083691.db2.gz QKTQQLJLZGNBGK-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000283998345 213052176 /nfs/dbraw/zinc/05/21/76/213052176.db2.gz IIKCFIYTNACCIJ-SUMWQHHRSA-N 2 1 368.503 0.552 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000283962724 213044482 /nfs/dbraw/zinc/04/44/82/213044482.db2.gz IAMDOEGCXLIGJZ-OAHLLOKOSA-N 2 1 370.519 0.504 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000283843560 213018514 /nfs/dbraw/zinc/01/85/14/213018514.db2.gz AYXFPQLCNVQSEI-UHFFFAOYSA-N 2 1 373.457 0.565 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000413120957 237281613 /nfs/dbraw/zinc/28/16/13/237281613.db2.gz FAGZBXJMRXMNHH-OAHLLOKOSA-N 2 1 354.495 0.459 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000413120957 237281618 /nfs/dbraw/zinc/28/16/18/237281618.db2.gz FAGZBXJMRXMNHH-OAHLLOKOSA-N 2 1 354.495 0.459 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000413238063 237296225 /nfs/dbraw/zinc/29/62/25/237296225.db2.gz UWGGDLNFECIMPP-UHFFFAOYSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000413377883 237325661 /nfs/dbraw/zinc/32/56/61/237325661.db2.gz PIFLDCYTKGFJAC-QGZVFWFLSA-N 2 1 370.538 0.953 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000413377883 237325665 /nfs/dbraw/zinc/32/56/65/237325665.db2.gz PIFLDCYTKGFJAC-QGZVFWFLSA-N 2 1 370.538 0.953 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367201613 216090323 /nfs/dbraw/zinc/09/03/23/216090323.db2.gz QRMNKHUJSKTZOX-LJQANCHMSA-N 2 1 358.486 0.890 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367201613 216090328 /nfs/dbraw/zinc/09/03/28/216090328.db2.gz QRMNKHUJSKTZOX-LJQANCHMSA-N 2 1 358.486 0.890 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)cc2C1 ZINC000367160971 216084741 /nfs/dbraw/zinc/08/47/41/216084741.db2.gz RNVLKHPIRUQDDQ-UHFFFAOYSA-N 2 1 373.501 0.713 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)cc2C1 ZINC000367160971 216084745 /nfs/dbraw/zinc/08/47/45/216084745.db2.gz RNVLKHPIRUQDDQ-UHFFFAOYSA-N 2 1 373.501 0.713 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2C1 ZINC000367160971 216084749 /nfs/dbraw/zinc/08/47/49/216084749.db2.gz RNVLKHPIRUQDDQ-UHFFFAOYSA-N 2 1 373.501 0.713 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cc2C1 ZINC000367160971 216084752 /nfs/dbraw/zinc/08/47/52/216084752.db2.gz RNVLKHPIRUQDDQ-UHFFFAOYSA-N 2 1 373.501 0.713 20 0 FCADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262026922 209512360 /nfs/dbraw/zinc/51/23/60/209512360.db2.gz ZVCUUXUNLQWRPW-UHFFFAOYSA-N 2 1 354.476 0.594 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000367752101 216157434 /nfs/dbraw/zinc/15/74/34/216157434.db2.gz PLYRUCDCQUHXMF-GDBMZVCRSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000368198135 216214939 /nfs/dbraw/zinc/21/49/39/216214939.db2.gz KQQXJMDKTWUAGP-BBWFWOEESA-N 2 1 353.507 0.933 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000246513580 209391629 /nfs/dbraw/zinc/39/16/29/209391629.db2.gz UGXMUMKMDYIEEP-HUUCEWRRSA-N 2 1 362.478 0.326 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000246178415 209380715 /nfs/dbraw/zinc/38/07/15/209380715.db2.gz BVUGCQXDOWZMKY-HZMVEIRTSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCN2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000194940390 209329842 /nfs/dbraw/zinc/32/98/42/209329842.db2.gz WPCDYZXHEWXIRK-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCN2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000194940390 209329844 /nfs/dbraw/zinc/32/98/44/209329844.db2.gz WPCDYZXHEWXIRK-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368705333 216284954 /nfs/dbraw/zinc/28/49/54/216284954.db2.gz ZRRATLFROAKYNH-OAGGEKHMSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368705333 216284957 /nfs/dbraw/zinc/28/49/57/216284957.db2.gz ZRRATLFROAKYNH-OAGGEKHMSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368705333 216284961 /nfs/dbraw/zinc/28/49/61/216284961.db2.gz ZRRATLFROAKYNH-OAGGEKHMSA-N 2 1 354.495 0.336 20 0 FCADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000368769260 216293635 /nfs/dbraw/zinc/29/36/35/216293635.db2.gz FYNBDYHGMMINLJ-QGZVFWFLSA-N 2 1 352.523 0.808 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035857 216336236 /nfs/dbraw/zinc/33/62/36/216336236.db2.gz JQDBYEDMNXKOTK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035857 216336238 /nfs/dbraw/zinc/33/62/38/216336238.db2.gz JQDBYEDMNXKOTK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000369390642 216394989 /nfs/dbraw/zinc/39/49/89/216394989.db2.gz CIVVOWOEHWXTTD-RCCFBDPRSA-N 2 1 352.523 0.770 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000369390642 216394992 /nfs/dbraw/zinc/39/49/92/216394992.db2.gz CIVVOWOEHWXTTD-RCCFBDPRSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402718 216395810 /nfs/dbraw/zinc/39/58/10/216395810.db2.gz RWEUJUOMCSQJAJ-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000369402718 216395813 /nfs/dbraw/zinc/39/58/13/216395813.db2.gz RWEUJUOMCSQJAJ-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000369402718 216395816 /nfs/dbraw/zinc/39/58/16/216395816.db2.gz RWEUJUOMCSQJAJ-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369400971 216396698 /nfs/dbraw/zinc/39/66/98/216396698.db2.gz KATBMEGQNVWPQQ-KRWDZBQOSA-N 2 1 364.494 0.287 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369400971 216396702 /nfs/dbraw/zinc/39/67/02/216396702.db2.gz KATBMEGQNVWPQQ-KRWDZBQOSA-N 2 1 364.494 0.287 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)C1 ZINC000188757977 209239579 /nfs/dbraw/zinc/23/95/79/209239579.db2.gz XNAVSTCWFOCRQF-IXDOHACOSA-N 2 1 362.449 0.700 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188799197 209238594 /nfs/dbraw/zinc/23/85/94/209238594.db2.gz WNNPCSDURJDDAR-OAHLLOKOSA-N 2 1 368.485 0.996 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000276644155 212271045 /nfs/dbraw/zinc/27/10/45/212271045.db2.gz SVDNQVDHDTUXKF-KBPBESRZSA-N 2 1 360.462 0.901 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000276644166 212270600 /nfs/dbraw/zinc/27/06/00/212270600.db2.gz SVDNQVDHDTUXKF-ZIAGYGMSSA-N 2 1 360.462 0.901 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000187240157 209208801 /nfs/dbraw/zinc/20/88/01/209208801.db2.gz QKZKNJAVFPRQME-UHFFFAOYSA-N 2 1 355.527 0.158 20 0 FCADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186610758 209192658 /nfs/dbraw/zinc/19/26/58/209192658.db2.gz NBAQWMWBTDBFCD-HNNXBMFYSA-N 2 1 356.536 0.484 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(CCO)CC3)c2C1 ZINC000186283599 209189236 /nfs/dbraw/zinc/18/92/36/209189236.db2.gz FESBUMXHOBZUSU-UHFFFAOYSA-N 2 1 360.458 0.487 20 0 FCADMP C[C@H](O)C[NH+](Cc1ccc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)cc1)[C@@H](C)CO ZINC000276222847 212190291 /nfs/dbraw/zinc/19/02/91/212190291.db2.gz QRNDIYLINCRVKJ-XSLAGTTESA-N 2 1 368.518 0.814 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000931441103 674115052 /nfs/dbraw/zinc/11/50/52/674115052.db2.gz NYGKEMNJTSSQHA-KGLIPLIRSA-N 2 1 366.487 0.546 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000931441103 674115056 /nfs/dbraw/zinc/11/50/56/674115056.db2.gz NYGKEMNJTSSQHA-KGLIPLIRSA-N 2 1 366.487 0.546 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000931441103 674115060 /nfs/dbraw/zinc/11/50/60/674115060.db2.gz NYGKEMNJTSSQHA-KGLIPLIRSA-N 2 1 366.487 0.546 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000931486662 674117232 /nfs/dbraw/zinc/11/72/32/674117232.db2.gz VJMNFOXQQLBRRE-UHFFFAOYSA-N 2 1 354.476 0.462 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000414829503 245326398 /nfs/dbraw/zinc/32/63/98/245326398.db2.gz KQUZRYWWHITTOU-UHFFFAOYSA-N 2 1 358.442 0.804 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000415075171 245344552 /nfs/dbraw/zinc/34/45/52/245344552.db2.gz BBECVKCXPWAMAX-KBPBESRZSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000415075171 245344553 /nfs/dbraw/zinc/34/45/53/245344553.db2.gz BBECVKCXPWAMAX-KBPBESRZSA-N 2 1 362.474 0.948 20 0 FCADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000415126237 245349310 /nfs/dbraw/zinc/34/93/10/245349310.db2.gz FYLFQQQFROFIIV-UHFFFAOYSA-N 2 1 365.474 0.974 20 0 FCADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000415126237 245349315 /nfs/dbraw/zinc/34/93/15/245349315.db2.gz FYLFQQQFROFIIV-UHFFFAOYSA-N 2 1 365.474 0.974 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000415260570 245370572 /nfs/dbraw/zinc/37/05/72/245370572.db2.gz XENMILUCXWVQMZ-DZGCQCFKSA-N 2 1 359.474 0.779 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000415256545 245371053 /nfs/dbraw/zinc/37/10/53/245371053.db2.gz ACEZKRNMIOXVNM-QGZVFWFLSA-N 2 1 360.458 0.714 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000415256545 245371057 /nfs/dbraw/zinc/37/10/57/245371057.db2.gz ACEZKRNMIOXVNM-QGZVFWFLSA-N 2 1 360.458 0.714 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000184742782 209167693 /nfs/dbraw/zinc/16/76/93/209167693.db2.gz PPJOKWHZWHCOAX-NYTJIUQPSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000184742782 209167696 /nfs/dbraw/zinc/16/76/96/209167696.db2.gz PPJOKWHZWHCOAX-NYTJIUQPSA-N 2 1 358.486 0.691 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000374074273 217093009 /nfs/dbraw/zinc/09/30/09/217093009.db2.gz JKXUUNXNHBRQNM-UHFFFAOYSA-N 2 1 355.508 0.506 20 0 FCADMP O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374796049 217175228 /nfs/dbraw/zinc/17/52/28/217175228.db2.gz CBOVPIXMLMYWKJ-QGZVFWFLSA-N 2 1 368.449 0.725 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182327759 209129453 /nfs/dbraw/zinc/12/94/53/209129453.db2.gz SEJHQHOFHJVOAB-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182327759 209129455 /nfs/dbraw/zinc/12/94/55/209129455.db2.gz SEJHQHOFHJVOAB-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCCC1=CC[NH2+]CC1 ZINC000416948287 245657103 /nfs/dbraw/zinc/65/71/03/245657103.db2.gz CEHOMPLPJGLLJM-UHFFFAOYSA-N 2 1 373.505 0.598 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417378729 245689413 /nfs/dbraw/zinc/68/94/13/245689413.db2.gz FLONJCJIWGZKDB-MSOLQXFVSA-N 2 1 372.517 0.845 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417542279 245706758 /nfs/dbraw/zinc/70/67/58/245706758.db2.gz DKZDHGWKTOXAFR-YOEHRIQHSA-N 2 1 361.490 0.920 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907346 217332911 /nfs/dbraw/zinc/33/29/11/217332911.db2.gz RQCLQKZCJORTFP-HOTGVXAUSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907346 217332914 /nfs/dbraw/zinc/33/29/14/217332914.db2.gz RQCLQKZCJORTFP-HOTGVXAUSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000376348843 217386762 /nfs/dbraw/zinc/38/67/62/217386762.db2.gz JDUSFUWRSAQCTQ-UHFFFAOYSA-N 2 1 355.479 0.489 20 0 FCADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376613279 217422057 /nfs/dbraw/zinc/42/20/57/217422057.db2.gz ODSANRVISAXYKQ-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418940895 245919464 /nfs/dbraw/zinc/91/94/64/245919464.db2.gz JTCCEWKCOQFZCB-DLBZAZTESA-N 2 1 362.474 0.199 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129259 246004657 /nfs/dbraw/zinc/00/46/57/246004657.db2.gz XXMWIFSUIJDCDG-IAGOWNOFSA-N 2 1 369.554 0.206 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419151142 246019794 /nfs/dbraw/zinc/01/97/94/246019794.db2.gz NDHSEYHILGBUGC-UONOGXRCSA-N 2 1 350.488 0.636 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000419159308 246024643 /nfs/dbraw/zinc/02/46/43/246024643.db2.gz XBIVJSNYWPTZDK-GVDBMIGSSA-N 2 1 352.523 0.914 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)[nH+]1 ZINC000419140764 246012626 /nfs/dbraw/zinc/01/26/26/246012626.db2.gz WAUATTUGWSUFEV-MRXNPFEDSA-N 2 1 359.474 0.815 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419146834 246014851 /nfs/dbraw/zinc/01/48/51/246014851.db2.gz IQWJVHYNMRMQSS-KGLIPLIRSA-N 2 1 350.488 0.554 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419164495 246027658 /nfs/dbraw/zinc/02/76/58/246027658.db2.gz MCGLYMJKPFJINJ-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419168454 246030168 /nfs/dbraw/zinc/03/01/68/246030168.db2.gz SHONQCRICQIKTJ-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168995 246030598 /nfs/dbraw/zinc/03/05/98/246030598.db2.gz TXYUXXUKYUBUKA-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419174863 246035811 /nfs/dbraw/zinc/03/58/11/246035811.db2.gz WVRBBEOVVUACLV-OTWHNJEPSA-N 2 1 372.513 0.937 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419211064 246057900 /nfs/dbraw/zinc/05/79/00/246057900.db2.gz YRPXAGZQMMWDDA-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419213893 246060094 /nfs/dbraw/zinc/06/00/94/246060094.db2.gz WYNFTPISSCGDJT-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212946 246060240 /nfs/dbraw/zinc/06/02/40/246060240.db2.gz VSBFUARATQCZSX-STQMWFEESA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212946 246060244 /nfs/dbraw/zinc/06/02/44/246060244.db2.gz VSBFUARATQCZSX-STQMWFEESA-N 2 1 366.428 0.963 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419226909 246065225 /nfs/dbraw/zinc/06/52/25/246065225.db2.gz FAGJPGAHOIHLFN-KGLIPLIRSA-N 2 1 364.515 0.679 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419226909 246065228 /nfs/dbraw/zinc/06/52/28/246065228.db2.gz FAGJPGAHOIHLFN-KGLIPLIRSA-N 2 1 364.515 0.679 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419228257 246066708 /nfs/dbraw/zinc/06/67/08/246066708.db2.gz GRGFCZHOYVTWJS-RVKKMQEKSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419228257 246066711 /nfs/dbraw/zinc/06/67/11/246066711.db2.gz GRGFCZHOYVTWJS-RVKKMQEKSA-N 2 1 358.486 0.806 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)CCC(F)(F)F ZINC000419198028 246047966 /nfs/dbraw/zinc/04/79/66/246047966.db2.gz CECKBWACJVNRNX-CQSZACIVSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)CCC(F)(F)F ZINC000419198028 246047968 /nfs/dbraw/zinc/04/79/68/246047968.db2.gz CECKBWACJVNRNX-CQSZACIVSA-N 2 1 352.401 0.574 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419198609 246048534 /nfs/dbraw/zinc/04/85/34/246048534.db2.gz CVTUQDYPTBOGSP-AEFFLSMTSA-N 2 1 358.486 0.883 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)CCC(F)(F)F ZINC000419200911 246050942 /nfs/dbraw/zinc/05/09/42/246050942.db2.gz FVGJADOKSMZZAM-RYUDHWBXSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)CCC(F)(F)F ZINC000419200911 246050947 /nfs/dbraw/zinc/05/09/47/246050947.db2.gz FVGJADOKSMZZAM-RYUDHWBXSA-N 2 1 352.401 0.586 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228599 246068549 /nfs/dbraw/zinc/06/85/49/246068549.db2.gz MLVAIFVONPNJSL-JZXOWHBKSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419235356 246069873 /nfs/dbraw/zinc/06/98/73/246069873.db2.gz YVQALCBVNNIEJG-IRXDYDNUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419234397 246069925 /nfs/dbraw/zinc/06/99/25/246069925.db2.gz LXEMODYQDIQPDG-STQMWFEESA-N 2 1 350.488 0.418 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419234397 246069928 /nfs/dbraw/zinc/06/99/28/246069928.db2.gz LXEMODYQDIQPDG-STQMWFEESA-N 2 1 350.488 0.418 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419241614 246073293 /nfs/dbraw/zinc/07/32/93/246073293.db2.gz RXWZPKPPUAWCHR-FZMZJTMJSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419241614 246073298 /nfs/dbraw/zinc/07/32/98/246073298.db2.gz RXWZPKPPUAWCHR-FZMZJTMJSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2sccc2C1 ZINC000419242452 246073408 /nfs/dbraw/zinc/07/34/08/246073408.db2.gz SPSFOOFCEDQEEX-NFAWXSAZSA-N 2 1 362.499 0.431 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2sccc2C1 ZINC000419242452 246073410 /nfs/dbraw/zinc/07/34/10/246073410.db2.gz SPSFOOFCEDQEEX-NFAWXSAZSA-N 2 1 362.499 0.431 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419250024 246077338 /nfs/dbraw/zinc/07/73/38/246077338.db2.gz YUPVPDBLGXGRDC-MGPQQGTHSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419250024 246077344 /nfs/dbraw/zinc/07/73/44/246077344.db2.gz YUPVPDBLGXGRDC-MGPQQGTHSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317835 246098750 /nfs/dbraw/zinc/09/87/50/246098750.db2.gz NESUVVKSLSBHEQ-BGIURUKPSA-N 2 1 374.460 0.820 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000419392456 246130521 /nfs/dbraw/zinc/13/05/21/246130521.db2.gz LAYWADDERHXKLG-HNNXBMFYSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000419392456 246130526 /nfs/dbraw/zinc/13/05/26/246130526.db2.gz LAYWADDERHXKLG-HNNXBMFYSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419385206 246127061 /nfs/dbraw/zinc/12/70/61/246127061.db2.gz ACUOAQUTZXENBU-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000419386559 246127156 /nfs/dbraw/zinc/12/71/56/246127156.db2.gz DSUXAALEOWYNMN-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419389399 246129071 /nfs/dbraw/zinc/12/90/71/246129071.db2.gz HHLNMQOCDXCHLL-WBVHZDCISA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419389399 246129078 /nfs/dbraw/zinc/12/90/78/246129078.db2.gz HHLNMQOCDXCHLL-WBVHZDCISA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419413609 246147439 /nfs/dbraw/zinc/14/74/39/246147439.db2.gz SFXJAEQXVUIZEE-FCEWJHQRSA-N 2 1 350.507 0.683 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419412429 246147882 /nfs/dbraw/zinc/14/78/82/246147882.db2.gz REFFMTONEOAEOV-ROUUACIJSA-N 2 1 358.486 0.793 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412858 246148076 /nfs/dbraw/zinc/14/80/76/246148076.db2.gz DMFGQSBOTAKRBC-ROUUACIJSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412858 246148080 /nfs/dbraw/zinc/14/80/80/246148080.db2.gz DMFGQSBOTAKRBC-ROUUACIJSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412858 246148085 /nfs/dbraw/zinc/14/80/85/246148085.db2.gz DMFGQSBOTAKRBC-ROUUACIJSA-N 2 1 373.501 0.041 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419414191 246148354 /nfs/dbraw/zinc/14/83/54/246148354.db2.gz SZBRCCILANBRRV-XHSDSOJGSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419417032 246149629 /nfs/dbraw/zinc/14/96/29/246149629.db2.gz HQBWCHMPYHEAOY-YYIAUSFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419395375 246131958 /nfs/dbraw/zinc/13/19/58/246131958.db2.gz QOAPYLFLCLWYPT-YJBOKZPZSA-N 2 1 358.486 0.604 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419395375 246131960 /nfs/dbraw/zinc/13/19/60/246131960.db2.gz QOAPYLFLCLWYPT-YJBOKZPZSA-N 2 1 358.486 0.604 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000419403801 246138181 /nfs/dbraw/zinc/13/81/81/246138181.db2.gz FDAXJRIVSMVROG-LJQANCHMSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404537 246139796 /nfs/dbraw/zinc/13/97/96/246139796.db2.gz TXRJKYYWXLIKRN-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406002 246140153 /nfs/dbraw/zinc/14/01/53/246140153.db2.gz VUNQEGMJVDEZKB-UKRRQHHQSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406002 246140156 /nfs/dbraw/zinc/14/01/56/246140156.db2.gz VUNQEGMJVDEZKB-UKRRQHHQSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419407950 246142427 /nfs/dbraw/zinc/14/24/27/246142427.db2.gz LALSANCJYGWWLP-RDJZCZTQSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419410729 246145538 /nfs/dbraw/zinc/14/55/38/246145538.db2.gz OYVPZDPXLKEZRN-GOSISDBHSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419430510 246158512 /nfs/dbraw/zinc/15/85/12/246158512.db2.gz VXPXZAPZYRCJJX-IXDOHACOSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000419418269 246152812 /nfs/dbraw/zinc/15/28/12/246152812.db2.gz YBUSEQLGRBFSTR-GUTXKFCHSA-N 2 1 352.504 0.971 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419418280 246153194 /nfs/dbraw/zinc/15/31/94/246153194.db2.gz YCBFBJNTPXUJIZ-MSOLQXFVSA-N 2 1 374.485 0.044 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419420710 246153741 /nfs/dbraw/zinc/15/37/41/246153741.db2.gz KHYFDDDMOIPWRM-UHFFFAOYSA-N 2 1 356.470 0.587 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505660 246184061 /nfs/dbraw/zinc/18/40/61/246184061.db2.gz MFUVVTPLXNBPSV-QAPCUYQASA-N 2 1 373.501 0.167 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510777 246185532 /nfs/dbraw/zinc/18/55/32/246185532.db2.gz UNUJOIWHNUDIAQ-HZPDHXFCSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510339 246186399 /nfs/dbraw/zinc/18/63/99/246186399.db2.gz UCRMPAIXVGQPDL-IRXDYDNUSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419527792 246191571 /nfs/dbraw/zinc/19/15/71/246191571.db2.gz GMLVDFGQSFXVFX-YFHUEUNASA-N 2 1 358.486 0.832 20 0 FCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470501 246173189 /nfs/dbraw/zinc/17/31/89/246173189.db2.gz FLRXDFROEZVNAS-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419530355 246192970 /nfs/dbraw/zinc/19/29/70/246192970.db2.gz ZCAQLUFECJGZSH-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528319 246193047 /nfs/dbraw/zinc/19/30/47/246193047.db2.gz CAMNZOGAIXQJNE-DLBZAZTESA-N 2 1 362.474 0.290 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@H+]1C ZINC000419560566 246202658 /nfs/dbraw/zinc/20/26/58/246202658.db2.gz RGJDGLYDUZNOIH-DFWHQEHRSA-N 2 1 362.518 0.855 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419564890 246202989 /nfs/dbraw/zinc/20/29/89/246202989.db2.gz YEXJPWXZBZONBR-OIISXLGYSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419564890 246202995 /nfs/dbraw/zinc/20/29/95/246202995.db2.gz YEXJPWXZBZONBR-OIISXLGYSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419534171 246195191 /nfs/dbraw/zinc/19/51/91/246195191.db2.gz PYAQFHZNDYJCCX-BLIXFSHQSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537953 246195395 /nfs/dbraw/zinc/19/53/95/246195395.db2.gz WJCLRLMEVVDSBV-NQYYFHDYSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419536578 246196114 /nfs/dbraw/zinc/19/61/14/246196114.db2.gz USSMLGMSAMIVQZ-DDBAPUKQSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419665142 246236879 /nfs/dbraw/zinc/23/68/79/246236879.db2.gz SVYCWZLLDVUMMC-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419665141 246237098 /nfs/dbraw/zinc/23/70/98/246237098.db2.gz SVYCWZLLDVUMMC-NJAFHUGGSA-N 2 1 374.485 0.342 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)C1CCCC1 ZINC000419689185 246251138 /nfs/dbraw/zinc/25/11/38/246251138.db2.gz ACOSELILJTUPSL-UHFFFAOYSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CNCCN1C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419705742 246260754 /nfs/dbraw/zinc/26/07/54/246260754.db2.gz BEQAKKAKWYJWMP-ZDUSSCGKSA-N 2 1 364.877 0.635 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000419709933 246263692 /nfs/dbraw/zinc/26/36/92/246263692.db2.gz PMMRHOQEJBCWSF-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755981 246286048 /nfs/dbraw/zinc/28/60/48/246286048.db2.gz ADRWVJJFQCIDCD-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000419766911 246290957 /nfs/dbraw/zinc/29/09/57/246290957.db2.gz ZMEVKWAAOBOXNC-GOEBONIOSA-N 2 1 364.465 0.817 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419773591 246293407 /nfs/dbraw/zinc/29/34/07/246293407.db2.gz ZSDNZLLOEBSJGD-ZWKOTPCHSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000419800475 246299618 /nfs/dbraw/zinc/29/96/18/246299618.db2.gz AIJSVPQRROTRCJ-HZPDHXFCSA-N 2 1 362.474 0.991 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419805357 246301237 /nfs/dbraw/zinc/30/12/37/246301237.db2.gz DLFKYVGPLCAQGK-GJZGRUSLSA-N 2 1 364.446 0.027 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419804386 246301637 /nfs/dbraw/zinc/30/16/37/246301637.db2.gz DBUWJRXOWHLORH-PMPSAXMXSA-N 2 1 360.458 0.743 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419810566 246304565 /nfs/dbraw/zinc/30/45/65/246304565.db2.gz XJWSQJVPOBSGLC-CQSZACIVSA-N 2 1 354.495 0.068 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419810566 246304569 /nfs/dbraw/zinc/30/45/69/246304569.db2.gz XJWSQJVPOBSGLC-CQSZACIVSA-N 2 1 354.495 0.068 20 0 FCADMP CCN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419845938 246318970 /nfs/dbraw/zinc/31/89/70/246318970.db2.gz FWYIFABACLHGSM-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419844717 246319130 /nfs/dbraw/zinc/31/91/30/246319130.db2.gz CSHXXSXJVMHADV-UHFFFAOYSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419844717 246319134 /nfs/dbraw/zinc/31/91/34/246319134.db2.gz CSHXXSXJVMHADV-UHFFFAOYSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419855843 246326839 /nfs/dbraw/zinc/32/68/39/246326839.db2.gz XDHNMZJOSXNLBF-CALCHBBNSA-N 2 1 356.470 0.445 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419874060 246342125 /nfs/dbraw/zinc/34/21/25/246342125.db2.gz ZNAYGIPRTAUQKJ-GOSISDBHSA-N 2 1 358.486 0.489 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419910706 246364076 /nfs/dbraw/zinc/36/40/76/246364076.db2.gz QMNYXZHMWCWNMS-UHFFFAOYSA-N 2 1 352.504 0.551 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419912370 246365828 /nfs/dbraw/zinc/36/58/28/246365828.db2.gz LDKKDICOXCRUGF-QRQLOZEOSA-N 2 1 370.497 0.693 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419914950 246366802 /nfs/dbraw/zinc/36/68/02/246366802.db2.gz OOGWSNXYJZVPCQ-KRWDZBQOSA-N 2 1 358.486 0.837 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419924892 246371104 /nfs/dbraw/zinc/37/11/04/246371104.db2.gz NQLFTAKVFBOSCA-OALUTQOASA-N 2 1 370.497 0.835 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000419889294 246351861 /nfs/dbraw/zinc/35/18/61/246351861.db2.gz GWNNCNFTKOHTKQ-QGZVFWFLSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419889182 246353150 /nfs/dbraw/zinc/35/31/50/246353150.db2.gz GSZRCENDAOPTBM-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419974001 246397523 /nfs/dbraw/zinc/39/75/23/246397523.db2.gz IPYIFDFUPQRWLH-BQFCYCMXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423372231 247013594 /nfs/dbraw/zinc/01/35/94/247013594.db2.gz ICMYISNCWFOIHL-SJLPKXTDSA-N 2 1 374.485 0.296 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000423379401 247016759 /nfs/dbraw/zinc/01/67/59/247016759.db2.gz LVIOAMFVYSWQOC-BBWFWOEESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[N@H+]1C ZINC000423379401 247016767 /nfs/dbraw/zinc/01/67/67/247016767.db2.gz LVIOAMFVYSWQOC-BBWFWOEESA-N 2 1 350.507 0.633 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423543000 247047038 /nfs/dbraw/zinc/04/70/38/247047038.db2.gz UMFUVDGQBISNGU-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423543000 247047041 /nfs/dbraw/zinc/04/70/41/247047041.db2.gz UMFUVDGQBISNGU-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558897 247051345 /nfs/dbraw/zinc/05/13/45/247051345.db2.gz LOCFGNXXQKFUND-RBUKOAKNSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423598158 247068459 /nfs/dbraw/zinc/06/84/59/247068459.db2.gz VYZGXXLXSFEPML-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423598158 247068461 /nfs/dbraw/zinc/06/84/61/247068461.db2.gz VYZGXXLXSFEPML-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423440950 247027206 /nfs/dbraw/zinc/02/72/06/247027206.db2.gz IUUWMZOLUPGYRJ-QGZVFWFLSA-N 2 1 373.501 0.572 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423479423 247036069 /nfs/dbraw/zinc/03/60/69/247036069.db2.gz VEDFTMBMLZFRML-GJZGRUSLSA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423479423 247036073 /nfs/dbraw/zinc/03/60/73/247036073.db2.gz VEDFTMBMLZFRML-GJZGRUSLSA-N 2 1 356.511 0.122 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423525818 247040914 /nfs/dbraw/zinc/04/09/14/247040914.db2.gz KTPOTXAYRAOOJJ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423525818 247040921 /nfs/dbraw/zinc/04/09/21/247040921.db2.gz KTPOTXAYRAOOJJ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423688435 247110186 /nfs/dbraw/zinc/11/01/86/247110186.db2.gz WUYUNNVHDONQPN-WBVHZDCISA-N 3 1 367.538 0.199 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423688435 247110189 /nfs/dbraw/zinc/11/01/89/247110189.db2.gz WUYUNNVHDONQPN-WBVHZDCISA-N 3 1 367.538 0.199 20 0 FCADMP C[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423696737 247113560 /nfs/dbraw/zinc/11/35/60/247113560.db2.gz MFADMUCZAUZZNZ-HZPDHXFCSA-N 2 1 354.495 0.333 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423620324 247079743 /nfs/dbraw/zinc/07/97/43/247079743.db2.gz WNJLFGWXNRQRMG-OKZBNKHCSA-N 2 1 356.470 0.527 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649513 247092184 /nfs/dbraw/zinc/09/21/84/247092184.db2.gz PMDIMDUQDYNQGS-XLIONFOSSA-N 2 1 374.485 0.032 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423666500 247100818 /nfs/dbraw/zinc/10/08/18/247100818.db2.gz MHPBCHLJNABTAT-SZMVWBNQSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423666500 247100825 /nfs/dbraw/zinc/10/08/25/247100825.db2.gz MHPBCHLJNABTAT-SZMVWBNQSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423666633 247101383 /nfs/dbraw/zinc/10/13/83/247101383.db2.gz KDZBIGUWNCNBPH-LPHOPBHVSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423666633 247101386 /nfs/dbraw/zinc/10/13/86/247101386.db2.gz KDZBIGUWNCNBPH-LPHOPBHVSA-N 2 1 372.513 0.958 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1C ZINC000423895907 247147968 /nfs/dbraw/zinc/14/79/68/247147968.db2.gz NPTCXWYWYWOQJR-OAHLLOKOSA-N 2 1 363.462 0.058 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1C ZINC000423895907 247147973 /nfs/dbraw/zinc/14/79/73/247147973.db2.gz NPTCXWYWYWOQJR-OAHLLOKOSA-N 2 1 363.462 0.058 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000423930427 247151984 /nfs/dbraw/zinc/15/19/84/247151984.db2.gz WBDDHOLNLGIMQV-IHRRRGAJSA-N 2 1 350.442 0.527 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423702227 247116092 /nfs/dbraw/zinc/11/60/92/247116092.db2.gz XXCHRLUSCODING-JKSUJKDBSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423701165 247116626 /nfs/dbraw/zinc/11/66/26/247116626.db2.gz WBCZNSUEOVEGFL-HZPDHXFCSA-N 2 1 355.527 0.057 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423701165 247116629 /nfs/dbraw/zinc/11/66/29/247116629.db2.gz WBCZNSUEOVEGFL-HZPDHXFCSA-N 2 1 355.527 0.057 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423723295 247125620 /nfs/dbraw/zinc/12/56/20/247125620.db2.gz HCXUDBNAFWPOCR-CVEARBPZSA-N 2 1 362.474 0.628 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423725776 247128470 /nfs/dbraw/zinc/12/84/70/247128470.db2.gz SVKCDDYXORBNJX-NJAFHUGGSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423726464 247128640 /nfs/dbraw/zinc/12/86/40/247128640.db2.gz UGQNANHFXMRNJP-KFWWJZLASA-N 2 1 354.495 0.140 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000423745018 247136407 /nfs/dbraw/zinc/13/64/07/247136407.db2.gz NEYIJVZCJSILHP-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214715 247178827 /nfs/dbraw/zinc/17/88/27/247178827.db2.gz CYPJLAAOPRPZMT-SCTDSRPQSA-N 2 1 358.486 0.819 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492660 247237428 /nfs/dbraw/zinc/23/74/28/247237428.db2.gz IREKGXKHAIUGBU-OKZBNKHCSA-N 2 1 356.470 0.527 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1C ZINC000424490987 247238402 /nfs/dbraw/zinc/23/84/02/247238402.db2.gz BKCNHKHZAVFUAI-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1C ZINC000424490987 247238407 /nfs/dbraw/zinc/23/84/07/247238407.db2.gz BKCNHKHZAVFUAI-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424500725 247243616 /nfs/dbraw/zinc/24/36/16/247243616.db2.gz DDZIGKBCRMWVBJ-CABCVRRESA-N 2 1 361.490 0.934 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540019 247255604 /nfs/dbraw/zinc/25/56/04/247255604.db2.gz FYAQBBLEAVSZFX-DSLXNQLJSA-N 2 1 370.497 0.976 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424539437 247255998 /nfs/dbraw/zinc/25/59/98/247255998.db2.gz FEISCRYXTGEMJZ-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000424543869 247258329 /nfs/dbraw/zinc/25/83/29/247258329.db2.gz KDUDMKSGXLBHAX-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000425382723 247327835 /nfs/dbraw/zinc/32/78/35/247327835.db2.gz HMJYYYGTJOSTTR-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000425382723 247327840 /nfs/dbraw/zinc/32/78/40/247327840.db2.gz HMJYYYGTJOSTTR-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425393652 247332854 /nfs/dbraw/zinc/33/28/54/247332854.db2.gz DMJZJTPFJGGCST-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599849 247712192 /nfs/dbraw/zinc/71/21/92/247712192.db2.gz BKHNLJIWCVWBRA-PBHICJAKSA-N 2 1 362.449 0.932 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599849 247712198 /nfs/dbraw/zinc/71/21/98/247712198.db2.gz BKHNLJIWCVWBRA-PBHICJAKSA-N 2 1 362.449 0.932 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000439202413 248114590 /nfs/dbraw/zinc/11/45/90/248114590.db2.gz FSRKGZRWGNSBTM-HOTGVXAUSA-N 2 1 354.495 0.236 20 0 FCADMP CN(C)c1ncc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1C ZINC000440982611 248230033 /nfs/dbraw/zinc/23/00/33/248230033.db2.gz ISPWZUGPPYONBR-UHFFFAOYSA-N 2 1 351.499 0.311 20 0 FCADMP COc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443512298 248330571 /nfs/dbraw/zinc/33/05/71/248330571.db2.gz SXQUHWSUIYWALA-XGUBFFRZSA-N 2 1 363.510 0.938 20 0 FCADMP COc1nc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443512298 248330573 /nfs/dbraw/zinc/33/05/73/248330573.db2.gz SXQUHWSUIYWALA-XGUBFFRZSA-N 2 1 363.510 0.938 20 0 FCADMP COc1nc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443512298 248330575 /nfs/dbraw/zinc/33/05/75/248330575.db2.gz SXQUHWSUIYWALA-XGUBFFRZSA-N 2 1 363.510 0.938 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)C1 ZINC000444168297 248349736 /nfs/dbraw/zinc/34/97/36/248349736.db2.gz NNBZSYOKNCJHFL-OPYAIIAOSA-N 2 1 370.497 1.000 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000445974818 248381389 /nfs/dbraw/zinc/38/13/89/248381389.db2.gz PIRDUTLRZXNNSL-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP COC(=O)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@H]1C ZINC000469999499 250018993 /nfs/dbraw/zinc/01/89/93/250018993.db2.gz LDBDLYQBUJYXJQ-YHUYYLMFSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@H]1C ZINC000469999499 250018997 /nfs/dbraw/zinc/01/89/97/250018997.db2.gz LDBDLYQBUJYXJQ-YHUYYLMFSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@H]1C ZINC000469999499 250019001 /nfs/dbraw/zinc/01/90/01/250019001.db2.gz LDBDLYQBUJYXJQ-YHUYYLMFSA-N 2 1 368.474 0.770 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470887288 250071128 /nfs/dbraw/zinc/07/11/28/250071128.db2.gz CARDWPCANYSVOG-IRXDYDNUSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)C[C@H](O)c3ccccc3)cn2)CC1 ZINC000269915954 211116891 /nfs/dbraw/zinc/11/68/91/211116891.db2.gz JPVFFWQOANCCPO-MOPGFXCFSA-N 2 1 371.485 0.803 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000473748384 250249405 /nfs/dbraw/zinc/24/94/05/250249405.db2.gz KIGZDSBLUJSCHL-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000473935605 250257554 /nfs/dbraw/zinc/25/75/54/250257554.db2.gz BTUGZDFEQPGSJN-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000473935605 250257555 /nfs/dbraw/zinc/25/75/55/250257555.db2.gz BTUGZDFEQPGSJN-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000473935605 250257558 /nfs/dbraw/zinc/25/75/58/250257558.db2.gz BTUGZDFEQPGSJN-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000480868008 250289310 /nfs/dbraw/zinc/28/93/10/250289310.db2.gz DFKLHYVBVUKPBZ-DZGCQCFKSA-N 2 1 357.524 0.823 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000480868008 250289313 /nfs/dbraw/zinc/28/93/13/250289313.db2.gz DFKLHYVBVUKPBZ-DZGCQCFKSA-N 2 1 357.524 0.823 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111212 250314557 /nfs/dbraw/zinc/31/45/57/250314557.db2.gz XZDXBROUFSXTIJ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111212 250314560 /nfs/dbraw/zinc/31/45/60/250314560.db2.gz XZDXBROUFSXTIJ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000481132413 250318010 /nfs/dbraw/zinc/31/80/10/250318010.db2.gz FBKCUPFKJVQYGW-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000481132413 250318013 /nfs/dbraw/zinc/31/80/13/250318013.db2.gz FBKCUPFKJVQYGW-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000481132413 250318018 /nfs/dbraw/zinc/31/80/18/250318018.db2.gz FBKCUPFKJVQYGW-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000481923306 250371554 /nfs/dbraw/zinc/37/15/54/250371554.db2.gz QVXUGVXSTMJRJC-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000482540815 250393647 /nfs/dbraw/zinc/39/36/47/250393647.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 2 1 367.582 0.400 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589192 211017320 /nfs/dbraw/zinc/01/73/20/211017320.db2.gz BXLUGJPNPIZYJZ-CHWSQXEVSA-N 2 1 358.364 0.599 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589192 211017325 /nfs/dbraw/zinc/01/73/25/211017325.db2.gz BXLUGJPNPIZYJZ-CHWSQXEVSA-N 2 1 358.364 0.599 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC[N@H+]1C ZINC000947072219 674144736 /nfs/dbraw/zinc/14/47/36/674144736.db2.gz BPEIAZZKZBAEPD-XYPHTWIQSA-N 2 1 350.507 0.774 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413075482 532991237 /nfs/dbraw/zinc/99/12/37/532991237.db2.gz PPHRZYFXJMTQGC-BZUAXINKSA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413111560 532995265 /nfs/dbraw/zinc/99/52/65/532995265.db2.gz UGXCRVQSGTTZIY-BZUAXINKSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413111560 532995271 /nfs/dbraw/zinc/99/52/71/532995271.db2.gz UGXCRVQSGTTZIY-BZUAXINKSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413111560 532995277 /nfs/dbraw/zinc/99/52/77/532995277.db2.gz UGXCRVQSGTTZIY-BZUAXINKSA-N 2 1 354.495 0.853 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000069395093 208032651 /nfs/dbraw/zinc/03/26/51/208032651.db2.gz WMHXESXJMLZERG-UHFFFAOYSA-N 2 1 351.495 0.465 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000111863978 208288630 /nfs/dbraw/zinc/28/86/30/208288630.db2.gz JWTRXARVGADYJP-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000111863978 208288636 /nfs/dbraw/zinc/28/86/36/208288636.db2.gz JWTRXARVGADYJP-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000931872086 674149208 /nfs/dbraw/zinc/14/92/08/674149208.db2.gz GHSUNLVUIBPSBA-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000931872086 674149209 /nfs/dbraw/zinc/14/92/09/674149209.db2.gz GHSUNLVUIBPSBA-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000117485401 208345068 /nfs/dbraw/zinc/34/50/68/208345068.db2.gz IRBFSLXGMZFFHO-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000117485401 208345073 /nfs/dbraw/zinc/34/50/73/208345073.db2.gz IRBFSLXGMZFFHO-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000117485401 208345076 /nfs/dbraw/zinc/34/50/76/208345076.db2.gz IRBFSLXGMZFFHO-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655181 208387491 /nfs/dbraw/zinc/38/74/91/208387491.db2.gz JKMLIPWPCQDMGT-INIZCTEOSA-N 2 1 360.506 0.958 20 0 FCADMP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000177497816 209025471 /nfs/dbraw/zinc/02/54/71/209025471.db2.gz IDARPPQYRYXQJZ-HOTGVXAUSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000177890883 209037831 /nfs/dbraw/zinc/03/78/31/209037831.db2.gz GYMLDKHJRBWLPV-QGZVFWFLSA-N 2 1 365.522 0.810 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178693194 209057468 /nfs/dbraw/zinc/05/74/68/209057468.db2.gz SUDIQHQXWRVSGJ-CVEARBPZSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178693194 209057471 /nfs/dbraw/zinc/05/74/71/209057471.db2.gz SUDIQHQXWRVSGJ-CVEARBPZSA-N 2 1 353.511 0.522 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000413069163 533476970 /nfs/dbraw/zinc/47/69/70/533476970.db2.gz YNPWSPFYXFWOHW-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000932209630 674173658 /nfs/dbraw/zinc/17/36/58/674173658.db2.gz WYQUMFLAWPQZSN-MRXNPFEDSA-N 2 1 351.495 0.371 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000932209630 674173660 /nfs/dbraw/zinc/17/36/60/674173660.db2.gz WYQUMFLAWPQZSN-MRXNPFEDSA-N 2 1 351.495 0.371 20 0 FCADMP c1nc(NCC[NH+]2CCCOCC2)cc(NCC[N@H+]2CCCOCC2)n1 ZINC000188499485 229250263 /nfs/dbraw/zinc/25/02/63/229250263.db2.gz PNIGYPQTKFFUBA-UHFFFAOYSA-N 2 1 364.494 0.745 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@@H]1[NH+](C)C ZINC000410529978 230122427 /nfs/dbraw/zinc/12/24/27/230122427.db2.gz VUWCGSKLZKKPKR-HOCLYGCPSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410738487 230227738 /nfs/dbraw/zinc/22/77/38/230227738.db2.gz WNLDWDJDPXSXLU-OAGGEKHMSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410738487 230227742 /nfs/dbraw/zinc/22/77/42/230227742.db2.gz WNLDWDJDPXSXLU-OAGGEKHMSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410738487 230227745 /nfs/dbraw/zinc/22/77/45/230227745.db2.gz WNLDWDJDPXSXLU-OAGGEKHMSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410738487 230227749 /nfs/dbraw/zinc/22/77/49/230227749.db2.gz WNLDWDJDPXSXLU-OAGGEKHMSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1CSCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000410951942 230322151 /nfs/dbraw/zinc/32/21/51/230322151.db2.gz AWOBAOWKDHLAOR-HNNXBMFYSA-N 2 1 370.563 0.682 20 0 FCADMP C[C@@H]1CSCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000410951942 230322155 /nfs/dbraw/zinc/32/21/55/230322155.db2.gz AWOBAOWKDHLAOR-HNNXBMFYSA-N 2 1 370.563 0.682 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949893 674230745 /nfs/dbraw/zinc/23/07/45/674230745.db2.gz QARPYNWXVAQTHX-SJORKVTESA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949893 674230747 /nfs/dbraw/zinc/23/07/47/674230747.db2.gz QARPYNWXVAQTHX-SJORKVTESA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000932949893 674230749 /nfs/dbraw/zinc/23/07/49/674230749.db2.gz QARPYNWXVAQTHX-SJORKVTESA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000932949893 674230751 /nfs/dbraw/zinc/23/07/51/674230751.db2.gz QARPYNWXVAQTHX-SJORKVTESA-N 2 1 353.488 0.234 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000934259885 674289186 /nfs/dbraw/zinc/28/91/86/674289186.db2.gz LCJAFAYKALBWQF-ZWKOTPCHSA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000934259884 674289247 /nfs/dbraw/zinc/28/92/47/674289247.db2.gz LCJAFAYKALBWQF-ROUUACIJSA-N 2 1 352.523 0.506 20 0 FCADMP C[C@@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000363673640 488871592 /nfs/dbraw/zinc/87/15/92/488871592.db2.gz RTSRQTKXMSPBIO-KURKYZTESA-N 2 1 366.550 0.970 20 0 FCADMP Cn1cc(N2CC[C@@H]([NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)C2=O)cn1 ZINC000363795812 488886017 /nfs/dbraw/zinc/88/60/17/488886017.db2.gz NFROHUHAAQURAE-GOSISDBHSA-N 2 1 374.533 0.875 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000287801182 488907724 /nfs/dbraw/zinc/90/77/24/488907724.db2.gz OMVJSQDDTBFXKG-UHFFFAOYSA-N 2 1 364.465 0.974 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1F ZINC000562803745 491190550 /nfs/dbraw/zinc/19/05/50/491190550.db2.gz HLTVCXYWJVSODP-UHFFFAOYSA-N 2 1 374.420 0.551 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000046869082 487995676 /nfs/dbraw/zinc/99/56/76/487995676.db2.gz SBGWOZXHCPEBCH-IAGOWNOFSA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000046869082 487995684 /nfs/dbraw/zinc/99/56/84/487995684.db2.gz SBGWOZXHCPEBCH-IAGOWNOFSA-N 2 1 365.522 0.903 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000051210718 488128151 /nfs/dbraw/zinc/12/81/51/488128151.db2.gz DIDYXGPIGYWPSZ-UHFFFAOYSA-N 2 1 374.529 0.639 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000051210718 488128157 /nfs/dbraw/zinc/12/81/57/488128157.db2.gz DIDYXGPIGYWPSZ-UHFFFAOYSA-N 2 1 374.529 0.639 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569795780 491192920 /nfs/dbraw/zinc/19/29/20/491192920.db2.gz OEGJOBOLIIDSTQ-BFYDXBDKSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569795780 491192921 /nfs/dbraw/zinc/19/29/21/491192921.db2.gz OEGJOBOLIIDSTQ-BFYDXBDKSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000068595375 488368070 /nfs/dbraw/zinc/36/80/70/488368070.db2.gz PVXMWBJFJRZADC-MRXNPFEDSA-N 2 1 363.510 0.628 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069431143 488372537 /nfs/dbraw/zinc/37/25/37/488372537.db2.gz JXNNESKOGGVVJO-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000073619137 488385484 /nfs/dbraw/zinc/38/54/84/488385484.db2.gz IPEQXJWSBPLWHA-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073675856 488385750 /nfs/dbraw/zinc/38/57/50/488385750.db2.gz DUJXYPTWMYFUIN-LJQANCHMSA-N 2 1 370.538 0.881 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000073811555 488386383 /nfs/dbraw/zinc/38/63/83/488386383.db2.gz XHGYVCPKNOTWRN-NEWSRXKRSA-N 2 1 370.538 0.879 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000074164814 488388127 /nfs/dbraw/zinc/38/81/27/488388127.db2.gz SJSGROUUUDTATK-GOSISDBHSA-N 2 1 358.486 0.741 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000074657067 488393266 /nfs/dbraw/zinc/39/32/66/488393266.db2.gz DCSAWJWIMCASFU-ZWKOTPCHSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@](O)(CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863308 488393910 /nfs/dbraw/zinc/39/39/10/488393910.db2.gz ZDUCIUGJMZYUNP-MJGOQNOKSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@](O)(CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863308 488393912 /nfs/dbraw/zinc/39/39/12/488393912.db2.gz ZDUCIUGJMZYUNP-MJGOQNOKSA-N 2 1 368.522 0.633 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864120 488394376 /nfs/dbraw/zinc/39/43/76/488394376.db2.gz WYKVGZZAJFPHHV-OAHLLOKOSA-N 2 1 364.498 0.566 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189442528 488414459 /nfs/dbraw/zinc/41/44/59/488414459.db2.gz IQRATVZADRJUIO-WFASDCNBSA-N 2 1 369.535 0.965 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000189442528 488414462 /nfs/dbraw/zinc/41/44/62/488414462.db2.gz IQRATVZADRJUIO-WFASDCNBSA-N 2 1 369.535 0.965 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000077817452 488418113 /nfs/dbraw/zinc/41/81/13/488418113.db2.gz QSMXGANOVIOHEC-KRWDZBQOSA-N 2 1 373.501 0.440 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000077804565 488418146 /nfs/dbraw/zinc/41/81/46/488418146.db2.gz DEUHIJVMSJFJTE-IYBDPMFKSA-N 2 1 367.538 0.864 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000077804565 488418148 /nfs/dbraw/zinc/41/81/48/488418148.db2.gz DEUHIJVMSJFJTE-IYBDPMFKSA-N 2 1 367.538 0.864 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000192491742 488422194 /nfs/dbraw/zinc/42/21/94/488422194.db2.gz RTWRNIDWSAWLLR-OAHLLOKOSA-N 2 1 369.535 0.824 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000079235033 488428571 /nfs/dbraw/zinc/42/85/71/488428571.db2.gz FJHNNDBHXDWZAS-UHFFFAOYSA-N 2 1 361.490 0.712 20 0 FCADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000079235386 488428808 /nfs/dbraw/zinc/42/88/08/488428808.db2.gz XEFXKIWAWYJYET-IRXDYDNUSA-N 2 1 367.538 0.818 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085391323 488451726 /nfs/dbraw/zinc/45/17/26/488451726.db2.gz WAEASMFXSNQIEZ-DOTOQJQBSA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085391323 488451728 /nfs/dbraw/zinc/45/17/28/488451728.db2.gz WAEASMFXSNQIEZ-DOTOQJQBSA-N 2 1 367.538 0.959 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000268891299 488455539 /nfs/dbraw/zinc/45/55/39/488455539.db2.gz IUJYBGOLLZPBPP-MRXNPFEDSA-N 2 1 362.478 0.530 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000268891299 488455541 /nfs/dbraw/zinc/45/55/41/488455541.db2.gz IUJYBGOLLZPBPP-MRXNPFEDSA-N 2 1 362.478 0.530 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H](C)C1 ZINC000089265301 488457151 /nfs/dbraw/zinc/45/71/51/488457151.db2.gz HYTNREUJOBISPF-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H](C)C1 ZINC000089265301 488457153 /nfs/dbraw/zinc/45/71/53/488457153.db2.gz HYTNREUJOBISPF-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000089265301 488457156 /nfs/dbraw/zinc/45/71/56/488457156.db2.gz HYTNREUJOBISPF-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000089265301 488457157 /nfs/dbraw/zinc/45/71/57/488457157.db2.gz HYTNREUJOBISPF-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044807 488480332 /nfs/dbraw/zinc/48/03/32/488480332.db2.gz OLSGNXIGYHTLFN-DLBZAZTESA-N 2 1 360.506 0.835 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000269240713 488482028 /nfs/dbraw/zinc/48/20/28/488482028.db2.gz BDTHNRFLXVDKAZ-MJGOQNOKSA-N 2 1 371.485 0.638 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288102 488486918 /nfs/dbraw/zinc/48/69/18/488486918.db2.gz JQJRKXHUVLFTQA-MOPGFXCFSA-N 2 1 360.502 0.860 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288102 488486920 /nfs/dbraw/zinc/48/69/20/488486920.db2.gz JQJRKXHUVLFTQA-MOPGFXCFSA-N 2 1 360.502 0.860 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288102 488486922 /nfs/dbraw/zinc/48/69/22/488486922.db2.gz JQJRKXHUVLFTQA-MOPGFXCFSA-N 2 1 360.502 0.860 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269301893 488489355 /nfs/dbraw/zinc/48/93/55/488489355.db2.gz RCQPXJVYISYGCX-GOSISDBHSA-N 2 1 362.474 0.630 20 0 FCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152896 488493658 /nfs/dbraw/zinc/49/36/58/488493658.db2.gz RANXCVXLQCOKET-QZTJIDSGSA-N 2 1 372.517 0.931 20 0 FCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152896 488493660 /nfs/dbraw/zinc/49/36/60/488493660.db2.gz RANXCVXLQCOKET-QZTJIDSGSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152896 488493662 /nfs/dbraw/zinc/49/36/62/488493662.db2.gz RANXCVXLQCOKET-QZTJIDSGSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152896 488493664 /nfs/dbraw/zinc/49/36/64/488493664.db2.gz RANXCVXLQCOKET-QZTJIDSGSA-N 2 1 372.517 0.931 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248392976 488495059 /nfs/dbraw/zinc/49/50/59/488495059.db2.gz LLXNMQWTPVWELL-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248392976 488495063 /nfs/dbraw/zinc/49/50/63/488495063.db2.gz LLXNMQWTPVWELL-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248392976 488495065 /nfs/dbraw/zinc/49/50/65/488495065.db2.gz LLXNMQWTPVWELL-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248392976 488495068 /nfs/dbraw/zinc/49/50/68/488495068.db2.gz LLXNMQWTPVWELL-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000102049782 488497318 /nfs/dbraw/zinc/49/73/18/488497318.db2.gz PIOZWNRWZLCFEX-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000102049782 488497319 /nfs/dbraw/zinc/49/73/19/488497319.db2.gz PIOZWNRWZLCFEX-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000102049782 488497321 /nfs/dbraw/zinc/49/73/21/488497321.db2.gz PIOZWNRWZLCFEX-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCCNc2ccccn2)C1 ZINC000104800425 488505563 /nfs/dbraw/zinc/50/55/63/488505563.db2.gz LDUYNSCLOOKWLW-HNNXBMFYSA-N 2 1 362.478 0.770 20 0 FCADMP CC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104788525 488505913 /nfs/dbraw/zinc/50/59/13/488505913.db2.gz GQQFBGPINRKKLV-MRXNPFEDSA-N 2 1 353.511 0.605 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104786756 488506153 /nfs/dbraw/zinc/50/61/53/488506153.db2.gz BYCRTXFPFRGCIW-MRXNPFEDSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000104949897 488506671 /nfs/dbraw/zinc/50/66/71/488506671.db2.gz STBRJWBKTFFPAD-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000105321647 488508901 /nfs/dbraw/zinc/50/89/01/488508901.db2.gz AFJKDVONPGWBPE-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000554462045 491204315 /nfs/dbraw/zinc/20/43/15/491204315.db2.gz UGMJRGQCSLJDJW-UXLLHSPISA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000554462045 491204317 /nfs/dbraw/zinc/20/43/17/491204317.db2.gz UGMJRGQCSLJDJW-UXLLHSPISA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000554462045 491204320 /nfs/dbraw/zinc/20/43/20/491204320.db2.gz UGMJRGQCSLJDJW-UXLLHSPISA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000108463415 488519655 /nfs/dbraw/zinc/51/96/55/488519655.db2.gz GAEORKMDILNVQT-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000261768792 488535216 /nfs/dbraw/zinc/53/52/16/488535216.db2.gz WRGPAUJRPHHQQV-AWEZNQCLSA-N 2 1 351.447 0.999 20 0 FCADMP O=C(NCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@H]1CCC[NH2+]1 ZINC000261789601 488536063 /nfs/dbraw/zinc/53/60/63/488536063.db2.gz OJBUXFFJNAUQKX-MRXNPFEDSA-N 2 1 371.441 0.937 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000261796551 488536447 /nfs/dbraw/zinc/53/64/47/488536447.db2.gz ZLUCORGPEJFALY-GVDBMIGSSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261799752 488536537 /nfs/dbraw/zinc/53/65/37/488536537.db2.gz IUXHQWXIPRSERD-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843864 488537867 /nfs/dbraw/zinc/53/78/67/488537867.db2.gz PSYLXRPZWHSTMW-GOEBONIOSA-N 2 1 369.307 0.985 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261847330 488538054 /nfs/dbraw/zinc/53/80/54/488538054.db2.gz MARVDZWSBZVUBB-UONOGXRCSA-N 2 1 367.494 0.191 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261847330 488538056 /nfs/dbraw/zinc/53/80/56/488538056.db2.gz MARVDZWSBZVUBB-UONOGXRCSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261906869 488540982 /nfs/dbraw/zinc/54/09/82/488540982.db2.gz XCVRWOCETRODGX-CRAIPNDOSA-N 2 1 361.490 0.462 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261904589 488541077 /nfs/dbraw/zinc/54/10/77/488541077.db2.gz WWTQWFYOZQOPKR-IBGZPJMESA-N 2 1 374.485 0.696 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114587404 488541812 /nfs/dbraw/zinc/54/18/12/488541812.db2.gz OLFPDCGLSSEVSB-GOSISDBHSA-N 2 1 369.554 0.408 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000114587404 488541814 /nfs/dbraw/zinc/54/18/14/488541814.db2.gz OLFPDCGLSSEVSB-GOSISDBHSA-N 2 1 369.554 0.408 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000114587404 488541816 /nfs/dbraw/zinc/54/18/16/488541816.db2.gz OLFPDCGLSSEVSB-GOSISDBHSA-N 2 1 369.554 0.408 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114602666 488541897 /nfs/dbraw/zinc/54/18/97/488541897.db2.gz VWVNHBVABMRXTB-QZTJIDSGSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114602666 488541898 /nfs/dbraw/zinc/54/18/98/488541898.db2.gz VWVNHBVABMRXTB-QZTJIDSGSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114602666 488541899 /nfs/dbraw/zinc/54/18/99/488541899.db2.gz VWVNHBVABMRXTB-QZTJIDSGSA-N 2 1 367.538 0.255 20 0 FCADMP O=C(CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1)N1CC[NH2+]CC1 ZINC000262044086 488547919 /nfs/dbraw/zinc/54/79/19/488547919.db2.gz HUXJDXZQOPTRHA-UHFFFAOYSA-N 2 1 371.485 0.548 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262070229 488549143 /nfs/dbraw/zinc/54/91/43/488549143.db2.gz PBWASFDPBVIOEU-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262070229 488549145 /nfs/dbraw/zinc/54/91/45/488549145.db2.gz PBWASFDPBVIOEU-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000117485404 488551309 /nfs/dbraw/zinc/55/13/09/488551309.db2.gz IRBFSLXGMZFFHO-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000117485404 488551310 /nfs/dbraw/zinc/55/13/10/488551310.db2.gz IRBFSLXGMZFFHO-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000117485404 488551312 /nfs/dbraw/zinc/55/13/12/488551312.db2.gz IRBFSLXGMZFFHO-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000119559465 488557527 /nfs/dbraw/zinc/55/75/27/488557527.db2.gz HELKDKOZLOFVGP-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000119559465 488557529 /nfs/dbraw/zinc/55/75/29/488557529.db2.gz HELKDKOZLOFVGP-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000119559465 488557532 /nfs/dbraw/zinc/55/75/32/488557532.db2.gz HELKDKOZLOFVGP-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262263008 488559998 /nfs/dbraw/zinc/55/99/98/488559998.db2.gz JNKJZUKIBZJFJT-FLOBVVSRSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+]C1(CNC(=O)COC2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000569969990 491207048 /nfs/dbraw/zinc/20/70/48/491207048.db2.gz PLXSQAYQTBRYJZ-UHFFFAOYSA-N 2 1 360.502 0.865 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000262598831 488579905 /nfs/dbraw/zinc/57/99/05/488579905.db2.gz WNYZKFKZTYEFNH-MWDXBVQZSA-N 2 1 350.507 0.905 20 0 FCADMP Cc1cc(C)n2nc(C(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)nc2n1 ZINC000122989670 488582364 /nfs/dbraw/zinc/58/23/64/488582364.db2.gz QMEGMFMRNWSVNA-UHFFFAOYSA-N 2 1 359.478 0.839 20 0 FCADMP Cc1cc(C)n2nc(C(=O)N(C)CCN(C)C3CC[NH+](C)CC3)nc2n1 ZINC000122989670 488582367 /nfs/dbraw/zinc/58/23/67/488582367.db2.gz QMEGMFMRNWSVNA-UHFFFAOYSA-N 2 1 359.478 0.839 20 0 FCADMP CCn1c(N)c(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000123611702 488586975 /nfs/dbraw/zinc/58/69/75/488586975.db2.gz NPUXIWAHHULDHH-UHFFFAOYSA-N 2 1 365.478 0.375 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881849 488597799 /nfs/dbraw/zinc/59/77/99/488597799.db2.gz NOBKOCACKWUCBD-WMLDXEAASA-N 2 1 351.447 0.758 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881849 488597801 /nfs/dbraw/zinc/59/78/01/488597801.db2.gz NOBKOCACKWUCBD-WMLDXEAASA-N 2 1 351.447 0.758 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263257563 488607846 /nfs/dbraw/zinc/60/78/46/488607846.db2.gz RLCSDMSDPLDZGF-ANQUJSFKSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316040 488616297 /nfs/dbraw/zinc/61/62/97/488616297.db2.gz VCQKKAVBDYZQEO-CVEARBPZSA-N 2 1 363.506 0.561 20 0 FCADMP COC[C@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000127364145 488616341 /nfs/dbraw/zinc/61/63/41/488616341.db2.gz RPPGXGYQYOSQMF-LJQANCHMSA-N 2 1 363.502 0.954 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136247229 488676956 /nfs/dbraw/zinc/67/69/56/488676956.db2.gz JQAADNHUXCEMGE-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136413821 488677667 /nfs/dbraw/zinc/67/76/67/488677667.db2.gz QUKNDVOKKUQQHG-UHFFFAOYSA-N 2 1 363.506 0.779 20 0 FCADMP CC1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000136826639 488679037 /nfs/dbraw/zinc/67/90/37/488679037.db2.gz JBYZPTZFIWBXAT-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491012 488679144 /nfs/dbraw/zinc/67/91/44/488679144.db2.gz PNJZCTIYNRGHHI-OALUTQOASA-N 2 1 360.502 0.812 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491012 488679146 /nfs/dbraw/zinc/67/91/46/488679146.db2.gz PNJZCTIYNRGHHI-OALUTQOASA-N 2 1 360.502 0.812 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137021772 488679549 /nfs/dbraw/zinc/67/95/49/488679549.db2.gz PGJWZEXMCWLVRT-UHFFFAOYSA-N 2 1 363.506 0.732 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccn1 ZINC000136962793 488679796 /nfs/dbraw/zinc/67/97/96/488679796.db2.gz FNHAAKNTTRHCFQ-UHFFFAOYSA-N 2 1 350.463 0.551 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137120992 488680086 /nfs/dbraw/zinc/68/00/86/488680086.db2.gz YLZKMLRSSCKIQB-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000139958396 488686190 /nfs/dbraw/zinc/68/61/90/488686190.db2.gz FBLKFSBBCGZASQ-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139958396 488686192 /nfs/dbraw/zinc/68/61/92/488686192.db2.gz FBLKFSBBCGZASQ-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000139958396 488686194 /nfs/dbraw/zinc/68/61/94/488686194.db2.gz FBLKFSBBCGZASQ-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000274542272 488718146 /nfs/dbraw/zinc/71/81/46/488718146.db2.gz CGPDQHJXKJCSAN-QGZVFWFLSA-N 2 1 352.479 0.911 20 0 FCADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000274692243 488727767 /nfs/dbraw/zinc/72/77/67/488727767.db2.gz VJADIYBSVDNFIZ-OAHLLOKOSA-N 2 1 372.469 0.815 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000153326595 488730250 /nfs/dbraw/zinc/73/02/50/488730250.db2.gz JUBXYERLTVATJK-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000153326595 488730252 /nfs/dbraw/zinc/73/02/52/488730252.db2.gz JUBXYERLTVATJK-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000153326595 488730254 /nfs/dbraw/zinc/73/02/54/488730254.db2.gz JUBXYERLTVATJK-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000157268007 488770111 /nfs/dbraw/zinc/77/01/11/488770111.db2.gz XZVVERKAPRNJRN-OAHLLOKOSA-N 2 1 353.511 0.474 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000157268007 488770113 /nfs/dbraw/zinc/77/01/13/488770113.db2.gz XZVVERKAPRNJRN-OAHLLOKOSA-N 2 1 353.511 0.474 20 0 FCADMP CC(=O)N[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710214 488773258 /nfs/dbraw/zinc/77/32/58/488773258.db2.gz XDVAVJAQGVYNFD-HDICACEKSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)N[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710214 488773260 /nfs/dbraw/zinc/77/32/60/488773260.db2.gz XDVAVJAQGVYNFD-HDICACEKSA-N 2 1 366.506 0.204 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000158694263 488780172 /nfs/dbraw/zinc/78/01/72/488780172.db2.gz MHNAMCCGPUFGQO-MRXNPFEDSA-N 2 1 356.511 0.755 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000165806150 488811106 /nfs/dbraw/zinc/81/11/06/488811106.db2.gz XZBUUBOHHIWRKV-KRWDZBQOSA-N 2 1 360.458 0.320 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000167702204 488812181 /nfs/dbraw/zinc/81/21/81/488812181.db2.gz VFMHTPHJZKJZJE-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000167814286 488812518 /nfs/dbraw/zinc/81/25/18/488812518.db2.gz QTNSJIJMLIXJEB-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000171658161 488825529 /nfs/dbraw/zinc/82/55/29/488825529.db2.gz UDIYXCMTFWRLGF-UHFFFAOYSA-N 2 1 364.465 0.832 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000171685560 488825874 /nfs/dbraw/zinc/82/58/74/488825874.db2.gz YCVNMNWHRGWVGF-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000172425470 488834160 /nfs/dbraw/zinc/83/41/60/488834160.db2.gz LNLMCDOFEMAWIJ-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173147811 488841295 /nfs/dbraw/zinc/84/12/95/488841295.db2.gz JYAXXSDHZXLEJU-MRXNPFEDSA-N 2 1 356.511 0.755 20 0 FCADMP Cn1ccc(N2CCC[C@H]([NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)n1 ZINC000173538507 488843575 /nfs/dbraw/zinc/84/35/75/488843575.db2.gz NCGVXSZMBCJUIF-KRWDZBQOSA-N 2 1 361.490 0.960 20 0 FCADMP C[C@](O)(CNC(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+]1CCOCC1 ZINC000174124137 488847637 /nfs/dbraw/zinc/84/76/37/488847637.db2.gz MUVATBKTFCXIML-SFHVURJKSA-N 2 1 354.495 0.243 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000174387404 488848858 /nfs/dbraw/zinc/84/88/58/488848858.db2.gz YETWUSZOEHAPDC-FUHWJXTLSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[NH+](CCCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(C)C ZINC000174354332 488848869 /nfs/dbraw/zinc/84/88/69/488848869.db2.gz NQHRQVMXHYBOMF-SFHVURJKSA-N 2 1 358.527 0.878 20 0 FCADMP CC(C)[NH+](CCCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(C)C ZINC000174354348 488849003 /nfs/dbraw/zinc/84/90/03/488849003.db2.gz NQHRQVMXHYBOMF-GOSISDBHSA-N 2 1 358.527 0.878 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969409 488852448 /nfs/dbraw/zinc/85/24/48/488852448.db2.gz LWWGJCWVLVBJBS-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969409 488852449 /nfs/dbraw/zinc/85/24/49/488852449.db2.gz LWWGJCWVLVBJBS-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969409 488852450 /nfs/dbraw/zinc/85/24/50/488852450.db2.gz LWWGJCWVLVBJBS-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969409 488852451 /nfs/dbraw/zinc/85/24/51/488852451.db2.gz LWWGJCWVLVBJBS-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969409 488852452 /nfs/dbraw/zinc/85/24/52/488852452.db2.gz LWWGJCWVLVBJBS-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000329268464 488987411 /nfs/dbraw/zinc/98/74/11/488987411.db2.gz GPSDBEDJSGTBAN-UHFFFAOYSA-N 2 1 355.508 0.647 20 0 FCADMP C[NH+]1CCCN(C(=O)c2cncc(C(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000329330390 488994436 /nfs/dbraw/zinc/99/44/36/488994436.db2.gz LSKLTIXOKCHYKV-UHFFFAOYSA-N 2 1 359.474 0.637 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288613133 488997427 /nfs/dbraw/zinc/99/74/27/488997427.db2.gz RBFSGSNWYDKGKV-GOSISDBHSA-N 2 1 372.513 0.802 20 0 FCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389221 489000214 /nfs/dbraw/zinc/00/02/14/489000214.db2.gz UJCHWUDEZNBRRY-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389221 489000217 /nfs/dbraw/zinc/00/02/17/489000217.db2.gz UJCHWUDEZNBRRY-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389221 489000220 /nfs/dbraw/zinc/00/02/20/489000220.db2.gz UJCHWUDEZNBRRY-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000364909409 489016650 /nfs/dbraw/zinc/01/66/50/489016650.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364909409 489016652 /nfs/dbraw/zinc/01/66/52/489016652.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364909409 489016654 /nfs/dbraw/zinc/01/66/54/489016654.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364909409 489016657 /nfs/dbraw/zinc/01/66/57/489016657.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364909409 489016658 /nfs/dbraw/zinc/01/66/58/489016658.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000570264657 491228618 /nfs/dbraw/zinc/22/86/18/491228618.db2.gz OSHATAWPIFKIGL-SJORKVTESA-N 2 1 360.506 0.972 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000570268558 491228900 /nfs/dbraw/zinc/22/89/00/491228900.db2.gz JIBBTRHTXPZGAI-IYWMVGAKSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000570268558 491228901 /nfs/dbraw/zinc/22/89/01/491228901.db2.gz JIBBTRHTXPZGAI-IYWMVGAKSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000570268558 491228904 /nfs/dbraw/zinc/22/89/04/491228904.db2.gz JIBBTRHTXPZGAI-IYWMVGAKSA-N 2 1 364.486 0.037 20 0 FCADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000329965264 489055263 /nfs/dbraw/zinc/05/52/63/489055263.db2.gz QZHPLFGIENIPOY-SFHVURJKSA-N 2 1 356.470 0.411 20 0 FCADMP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cn1 ZINC000330115062 489070540 /nfs/dbraw/zinc/07/05/40/489070540.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000330115062 489070542 /nfs/dbraw/zinc/07/05/42/489070542.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 1 359.474 0.634 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000570294894 491231440 /nfs/dbraw/zinc/23/14/40/491231440.db2.gz XHUKAWUNKXHERU-IPYPFGDCSA-N 2 1 350.488 0.725 20 0 FCADMP C[C@H]1C[NH+](CC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000330211535 489080882 /nfs/dbraw/zinc/08/08/82/489080882.db2.gz DCMZHPALBHVQEF-HOTGVXAUSA-N 2 1 374.547 0.747 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC000289662875 489084766 /nfs/dbraw/zinc/08/47/66/489084766.db2.gz FAGCOTQNHMIORR-RDJZCZTQSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC000289662875 489084769 /nfs/dbraw/zinc/08/47/69/489084769.db2.gz FAGCOTQNHMIORR-RDJZCZTQSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cn2cc[nH+]c12 ZINC000563250008 491232237 /nfs/dbraw/zinc/23/22/37/491232237.db2.gz LBAATQVDPMSNIF-UHFFFAOYSA-N 2 1 373.457 0.886 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)cn2cc[nH+]c12 ZINC000563250008 491232239 /nfs/dbraw/zinc/23/22/39/491232239.db2.gz LBAATQVDPMSNIF-UHFFFAOYSA-N 2 1 373.457 0.886 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000365695682 489101561 /nfs/dbraw/zinc/10/15/61/489101561.db2.gz KPPWOXSGYLVEQB-GOSISDBHSA-N 2 1 365.474 0.973 20 0 FCADMP C[C@@](O)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C[NH+]1CCOCC1 ZINC000570343794 491235359 /nfs/dbraw/zinc/23/53/59/491235359.db2.gz RAUSDXFDHFSPJM-SJLPKXTDSA-N 2 1 371.547 0.403 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491146 489188688 /nfs/dbraw/zinc/18/86/88/489188688.db2.gz DOBSQUGECDVMJE-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000295399013 489192614 /nfs/dbraw/zinc/19/26/14/489192614.db2.gz WAGJUZYDWJYRDD-FQEVSTJZSA-N 2 1 365.518 0.760 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297503430 489204708 /nfs/dbraw/zinc/20/47/08/489204708.db2.gz MQPHSFXWQQFZNV-QGZVFWFLSA-N 2 1 370.457 0.782 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000283241073 489232156 /nfs/dbraw/zinc/23/21/56/489232156.db2.gz PUYGHOHXERLVMW-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000283241073 489232161 /nfs/dbraw/zinc/23/21/61/489232161.db2.gz PUYGHOHXERLVMW-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000283241073 489232163 /nfs/dbraw/zinc/23/21/63/489232163.db2.gz PUYGHOHXERLVMW-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332855206 489239357 /nfs/dbraw/zinc/23/93/57/489239357.db2.gz YVYCZJOPXXUUQO-SQNIBIBYSA-N 2 1 367.538 0.299 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000333002333 489255664 /nfs/dbraw/zinc/25/56/64/489255664.db2.gz KZZXPNOGLREMHF-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297897012 489259221 /nfs/dbraw/zinc/25/92/21/489259221.db2.gz VYAPNIXEUZCGRB-IBGZPJMESA-N 2 1 361.490 0.984 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297897012 489259224 /nfs/dbraw/zinc/25/92/24/489259224.db2.gz VYAPNIXEUZCGRB-IBGZPJMESA-N 2 1 361.490 0.984 20 0 FCADMP CC[C@H](C)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)CC1 ZINC000298052001 489282769 /nfs/dbraw/zinc/28/27/69/489282769.db2.gz SRDNFGUGBQYNEN-JJRVBVJISA-N 2 1 362.478 0.866 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000370125695 489317865 /nfs/dbraw/zinc/31/78/65/489317865.db2.gz JTHNIIPMKQXKLT-KZNAEPCWSA-N 2 1 367.538 0.565 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000370468417 489362875 /nfs/dbraw/zinc/36/28/75/489362875.db2.gz ILRDDUPNYBKGCT-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000286231594 489371250 /nfs/dbraw/zinc/37/12/50/489371250.db2.gz UJTNTOSMVCLXCH-INIZCTEOSA-N 2 1 366.893 0.957 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1=O ZINC000370559862 489375256 /nfs/dbraw/zinc/37/52/56/489375256.db2.gz ZPTBJRJSFGCJGH-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[NH+](C)C ZINC000299033544 489398082 /nfs/dbraw/zinc/39/80/82/489398082.db2.gz WFCTXZCKCNPILM-OAHLLOKOSA-N 2 1 361.490 0.833 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCCCC1 ZINC000286930785 489444419 /nfs/dbraw/zinc/44/44/19/489444419.db2.gz MPMVUKVOOHZLFI-AWEZNQCLSA-N 2 1 364.494 0.341 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063926 489447565 /nfs/dbraw/zinc/44/75/65/489447565.db2.gz NDTXIPDVSMSRRJ-SJORKVTESA-N 2 1 352.479 0.356 20 0 FCADMP C[C@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000363388768 489461261 /nfs/dbraw/zinc/46/12/61/489461261.db2.gz AEUHRAOLSYIWER-OAHLLOKOSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000363388768 489461263 /nfs/dbraw/zinc/46/12/63/489461263.db2.gz AEUHRAOLSYIWER-OAHLLOKOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000363517670 489474799 /nfs/dbraw/zinc/47/47/99/489474799.db2.gz MCTWSRMIOVPSHT-UHFFFAOYSA-N 2 1 370.563 0.828 20 0 FCADMP COC(=O)CCNC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371341761 489478712 /nfs/dbraw/zinc/47/87/12/489478712.db2.gz QWVROBFKNGSZGF-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578478 489480770 /nfs/dbraw/zinc/48/07/70/489480770.db2.gz OIJYJHJNEXQORU-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587959 489489418 /nfs/dbraw/zinc/48/94/18/489489418.db2.gz IMHQSNCNSGHBCQ-WMZOPIPTSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@H+](C)CC1 ZINC000371587959 489489419 /nfs/dbraw/zinc/48/94/19/489489419.db2.gz IMHQSNCNSGHBCQ-WMZOPIPTSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371587959 489489420 /nfs/dbraw/zinc/48/94/20/489489420.db2.gz IMHQSNCNSGHBCQ-WMZOPIPTSA-N 2 1 365.522 0.343 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657823 489493351 /nfs/dbraw/zinc/49/33/51/489493351.db2.gz NDLSISJSEUKYEL-IRXDYDNUSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371657823 489493354 /nfs/dbraw/zinc/49/33/54/489493354.db2.gz NDLSISJSEUKYEL-IRXDYDNUSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371657823 489493358 /nfs/dbraw/zinc/49/33/58/489493358.db2.gz NDLSISJSEUKYEL-IRXDYDNUSA-N 2 1 365.522 0.176 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423114689 489494123 /nfs/dbraw/zinc/49/41/23/489494123.db2.gz MAUVTZCSDLTVHI-SFHVURJKSA-N 2 1 364.515 0.632 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423117182 489494826 /nfs/dbraw/zinc/49/48/26/489494826.db2.gz UENFUMHPSMWMGK-HNNXBMFYSA-N 2 1 364.515 0.645 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000423187150 489501011 /nfs/dbraw/zinc/50/10/11/489501011.db2.gz LZLYFQOEPAXFAL-CYJAXWMASA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000423187150 489501014 /nfs/dbraw/zinc/50/10/14/489501014.db2.gz LZLYFQOEPAXFAL-CYJAXWMASA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423193065 489501161 /nfs/dbraw/zinc/50/11/61/489501161.db2.gz WJYPAPBGNCBAJX-WBVHZDCISA-N 2 1 368.522 0.530 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423193351 489501406 /nfs/dbraw/zinc/50/14/06/489501406.db2.gz XFMKDPCQGCBLTM-YVSFHVDLSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423193351 489501409 /nfs/dbraw/zinc/50/14/09/489501409.db2.gz XFMKDPCQGCBLTM-YVSFHVDLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423240086 489506491 /nfs/dbraw/zinc/50/64/91/489506491.db2.gz KFVAVQXVDCZANK-XOKHGSTOSA-N 2 1 362.449 0.631 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000415378307 489516464 /nfs/dbraw/zinc/51/64/64/489516464.db2.gz MYSPIVQVTHIFGS-PBHICJAKSA-N 2 1 360.458 0.887 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000425874549 489537374 /nfs/dbraw/zinc/53/73/74/489537374.db2.gz ROEKVZFFUQYYFK-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000425874549 489537378 /nfs/dbraw/zinc/53/73/78/489537378.db2.gz ROEKVZFFUQYYFK-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425880724 489539256 /nfs/dbraw/zinc/53/92/56/489539256.db2.gz BZBOFURVZNCLMZ-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425880724 489539259 /nfs/dbraw/zinc/53/92/59/489539259.db2.gz BZBOFURVZNCLMZ-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000415833246 489556968 /nfs/dbraw/zinc/55/69/68/489556968.db2.gz SNUQNZSHBBTRBN-RHSMWYFYSA-N 2 1 360.458 0.305 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372234188 489562113 /nfs/dbraw/zinc/56/21/13/489562113.db2.gz SVVTYEDWMVOMAE-DLBZAZTESA-N 2 1 368.522 0.849 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372234188 489562116 /nfs/dbraw/zinc/56/21/16/489562116.db2.gz SVVTYEDWMVOMAE-DLBZAZTESA-N 2 1 368.522 0.849 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000415964458 489566617 /nfs/dbraw/zinc/56/66/17/489566617.db2.gz SQMAUUCJDOAKLG-HIFRSBDPSA-N 2 1 374.489 0.607 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000415964453 489566710 /nfs/dbraw/zinc/56/67/10/489566710.db2.gz SQMAUUCJDOAKLG-DZGCQCFKSA-N 2 1 374.489 0.607 20 0 FCADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427125603 489595726 /nfs/dbraw/zinc/59/57/26/489595726.db2.gz FJGJOWMOELGCCH-UHFFFAOYSA-N 2 1 364.494 0.935 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128033 489595927 /nfs/dbraw/zinc/59/59/27/489595927.db2.gz JFEYXALUJKYFTF-CVEARBPZSA-N 2 1 374.489 0.831 20 0 FCADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427228594 489598748 /nfs/dbraw/zinc/59/87/48/489598748.db2.gz XPGXLJMFFZSPQN-KBPBESRZSA-N 2 1 362.478 0.639 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728674 491266141 /nfs/dbraw/zinc/26/61/41/491266141.db2.gz ADYGYJMUXRAAAJ-SJLPKXTDSA-N 2 1 358.486 0.628 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416831351 489631265 /nfs/dbraw/zinc/63/12/65/489631265.db2.gz BBRGEVSVELNMRQ-QZTJIDSGSA-N 2 1 373.501 0.757 20 0 FCADMP COCC1(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[NH2+]CC1 ZINC000416858464 489631757 /nfs/dbraw/zinc/63/17/57/489631757.db2.gz AHAWQBYIKNMTRU-MRXNPFEDSA-N 2 1 356.511 0.659 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000416857127 489631859 /nfs/dbraw/zinc/63/18/59/489631859.db2.gz XVJCFPIPVYECRB-HOCLYGCPSA-N 2 1 350.463 0.976 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000416865216 489631967 /nfs/dbraw/zinc/63/19/67/489631967.db2.gz JCIBVJSGKJVPOV-KRWDZBQOSA-N 2 1 356.511 0.883 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000416876026 489632699 /nfs/dbraw/zinc/63/26/99/489632699.db2.gz RYUXAKSTFNBSLE-MRXNPFEDSA-N 2 1 351.495 0.468 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428030633 489633774 /nfs/dbraw/zinc/63/37/74/489633774.db2.gz FCMPFTUYTKRWHS-IUODEOHRSA-N 2 1 352.460 0.346 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428030633 489633775 /nfs/dbraw/zinc/63/37/75/489633775.db2.gz FCMPFTUYTKRWHS-IUODEOHRSA-N 2 1 352.460 0.346 20 0 FCADMP COCC1(CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000416933048 489633959 /nfs/dbraw/zinc/63/39/59/489633959.db2.gz ABAUBASEIVBSBV-MRXNPFEDSA-N 2 1 356.511 0.659 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038370 489634330 /nfs/dbraw/zinc/63/43/30/489634330.db2.gz YBPFHQHMYSOYEM-WMLDXEAASA-N 2 1 353.488 1.000 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038370 489634332 /nfs/dbraw/zinc/63/43/32/489634332.db2.gz YBPFHQHMYSOYEM-WMLDXEAASA-N 2 1 353.488 1.000 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCOCC1 ZINC000416941987 489634578 /nfs/dbraw/zinc/63/45/78/489634578.db2.gz REFSQJAIJLZUJT-QGZVFWFLSA-N 2 1 356.511 0.883 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416951658 489635587 /nfs/dbraw/zinc/63/55/87/489635587.db2.gz NPBBKQJWVLXEJG-INIZCTEOSA-N 2 1 363.510 0.661 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@H](C)O1 ZINC000416948866 489635590 /nfs/dbraw/zinc/63/55/90/489635590.db2.gz QEJGFGSGUYEUHR-BBWFWOEESA-N 2 1 368.522 0.883 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416951661 489635636 /nfs/dbraw/zinc/63/56/36/489635636.db2.gz NPBBKQJWVLXEJG-MRXNPFEDSA-N 2 1 363.510 0.661 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C(F)F ZINC000416959029 489636187 /nfs/dbraw/zinc/63/61/87/489636187.db2.gz UUOQNWDWKRNMEK-ZDUSSCGKSA-N 2 1 371.436 0.270 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416960377 489636804 /nfs/dbraw/zinc/63/68/04/489636804.db2.gz WARVNOMIGAVTRA-UHFFFAOYSA-N 2 1 363.510 0.805 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417051673 489639954 /nfs/dbraw/zinc/63/99/54/489639954.db2.gz ONQVVAPPDXQQTR-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417091717 489641146 /nfs/dbraw/zinc/64/11/46/489641146.db2.gz KMENVEJIOLQTIO-SJORKVTESA-N 2 1 356.511 0.883 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417140744 489643332 /nfs/dbraw/zinc/64/33/32/489643332.db2.gz QMKIJEYKWBLZQU-XHSDSOJGSA-N 2 1 351.495 0.642 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417184929 489644585 /nfs/dbraw/zinc/64/45/85/489644585.db2.gz QZIHCMNGMMWWND-UHFFFAOYSA-N 2 1 350.463 0.554 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000555729988 491268540 /nfs/dbraw/zinc/26/85/40/491268540.db2.gz BGBLJAYEWOKOJG-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000555729988 491268541 /nfs/dbraw/zinc/26/85/41/491268541.db2.gz BGBLJAYEWOKOJG-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000555729988 491268542 /nfs/dbraw/zinc/26/85/42/491268542.db2.gz BGBLJAYEWOKOJG-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417323624 489648995 /nfs/dbraw/zinc/64/89/95/489648995.db2.gz HAADHLVSWBRHOX-OWCLPIDISA-N 2 1 353.511 0.603 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417363216 489649563 /nfs/dbraw/zinc/64/95/63/489649563.db2.gz AQOCGIXXVXVNEG-MSOLQXFVSA-N 2 1 372.517 0.845 20 0 FCADMP CN(C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC[NH2+]CC1 ZINC000417364181 489649936 /nfs/dbraw/zinc/64/99/36/489649936.db2.gz HEMBUGDUFNAIIH-UHFFFAOYSA-N 2 1 360.506 0.987 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417377781 489650117 /nfs/dbraw/zinc/65/01/17/489650117.db2.gz DOTRRKBQOWKUCI-LJQANCHMSA-N 2 1 360.506 0.974 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)N1CCOCC1 ZINC000457609522 489651604 /nfs/dbraw/zinc/65/16/04/489651604.db2.gz UEABTILFUMHWIN-IXDOHACOSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)N1CCOCC1 ZINC000457609522 489651605 /nfs/dbraw/zinc/65/16/05/489651605.db2.gz UEABTILFUMHWIN-IXDOHACOSA-N 2 1 356.511 0.440 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417426415 489651949 /nfs/dbraw/zinc/65/19/49/489651949.db2.gz GNXOTXRDSJOKKM-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417431059 489652909 /nfs/dbraw/zinc/65/29/09/489652909.db2.gz QKHCNZLOJLURAO-JKSUJKDBSA-N 2 1 355.527 0.944 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481882 489656478 /nfs/dbraw/zinc/65/64/78/489656478.db2.gz IEAHMXUNRMZTCE-DOTOQJQBSA-N 2 1 365.522 0.761 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511060 489657085 /nfs/dbraw/zinc/65/70/85/489657085.db2.gz YDWWEYHASKFFJY-IBGZPJMESA-N 2 1 359.518 0.755 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000417548590 489658348 /nfs/dbraw/zinc/65/83/48/489658348.db2.gz QZMQPMOUGSOVFT-QZTJIDSGSA-N 2 1 373.501 0.887 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417548606 489658436 /nfs/dbraw/zinc/65/84/36/489658436.db2.gz RCPODZONOXUCDZ-DLBZAZTESA-N 2 1 361.490 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417577501 489659104 /nfs/dbraw/zinc/65/91/04/489659104.db2.gz LTMQLEJYTHULBB-MRXNPFEDSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000417669989 489660935 /nfs/dbraw/zinc/66/09/35/489660935.db2.gz AQCLASQUJZEHNT-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417670001 489660970 /nfs/dbraw/zinc/66/09/70/489660970.db2.gz NIWPEHJPZJRHHF-CYBMUJFWSA-N 2 1 350.463 0.969 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417670001 489660973 /nfs/dbraw/zinc/66/09/73/489660973.db2.gz NIWPEHJPZJRHHF-CYBMUJFWSA-N 2 1 350.463 0.969 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417753359 489664557 /nfs/dbraw/zinc/66/45/57/489664557.db2.gz OLKPJLPTMCDJGY-IAGOWNOFSA-N 2 1 356.511 0.883 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000417855077 489668642 /nfs/dbraw/zinc/66/86/42/489668642.db2.gz KUAVLGMAZNEMNG-GJZGRUSLSA-N 2 1 353.511 0.569 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(F)cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373148503 489673765 /nfs/dbraw/zinc/67/37/65/489673765.db2.gz WUYNTDQWICMTIK-OAHLLOKOSA-N 2 1 363.437 0.786 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000458363259 489679233 /nfs/dbraw/zinc/67/92/33/489679233.db2.gz JMGMJNIWNAJIPN-INIZCTEOSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000458363259 489679235 /nfs/dbraw/zinc/67/92/35/489679235.db2.gz JMGMJNIWNAJIPN-INIZCTEOSA-N 2 1 353.511 0.663 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458407340 489680781 /nfs/dbraw/zinc/68/07/81/489680781.db2.gz CXONAICMKDYUQO-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458435405 489683440 /nfs/dbraw/zinc/68/34/40/489683440.db2.gz JTXHDWOFRNLGJB-UHFFFAOYSA-N 2 1 372.510 0.135 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458435405 489683443 /nfs/dbraw/zinc/68/34/43/489683443.db2.gz JTXHDWOFRNLGJB-UHFFFAOYSA-N 2 1 372.510 0.135 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000563825701 491271905 /nfs/dbraw/zinc/27/19/05/491271905.db2.gz DXJRNDPBULFJMV-MRXNPFEDSA-N 2 1 369.554 0.223 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000458735624 489698987 /nfs/dbraw/zinc/69/89/87/489698987.db2.gz TXZGFBUJFZOHEI-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1(C)C ZINC000458735624 489698992 /nfs/dbraw/zinc/69/89/92/489698992.db2.gz TXZGFBUJFZOHEI-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC000458735624 489698997 /nfs/dbraw/zinc/69/89/97/489698997.db2.gz TXZGFBUJFZOHEI-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000458783108 489701843 /nfs/dbraw/zinc/70/18/43/489701843.db2.gz VFJIADQYCXVQMT-OAHLLOKOSA-N 2 1 365.478 0.230 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000458783108 489701847 /nfs/dbraw/zinc/70/18/47/489701847.db2.gz VFJIADQYCXVQMT-OAHLLOKOSA-N 2 1 365.478 0.230 20 0 FCADMP COC[C@]1(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CCC[NH2+]1 ZINC000418654168 489715482 /nfs/dbraw/zinc/71/54/82/489715482.db2.gz LWQGRPQYAZRWCR-RHSMWYFYSA-N 2 1 356.467 0.034 20 0 FCADMP COC[C@]1(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CCC[NH2+]1 ZINC000418654168 489715486 /nfs/dbraw/zinc/71/54/86/489715486.db2.gz LWQGRPQYAZRWCR-RHSMWYFYSA-N 2 1 356.467 0.034 20 0 FCADMP C[C@](O)(CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000418685973 489718080 /nfs/dbraw/zinc/71/80/80/489718080.db2.gz NOCISNDZNIBDED-SCTDSRPQSA-N 2 1 362.474 0.124 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000430105755 489720483 /nfs/dbraw/zinc/72/04/83/489720483.db2.gz PXQAGSULXJEUHV-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000430105755 489720488 /nfs/dbraw/zinc/72/04/88/489720488.db2.gz PXQAGSULXJEUHV-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000430105755 489720491 /nfs/dbraw/zinc/72/04/91/489720491.db2.gz PXQAGSULXJEUHV-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805747 491273934 /nfs/dbraw/zinc/27/39/34/491273934.db2.gz WWUXSXLFGZSNFI-HRCADAONSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805747 491273935 /nfs/dbraw/zinc/27/39/35/491273935.db2.gz WWUXSXLFGZSNFI-HRCADAONSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805747 491273937 /nfs/dbraw/zinc/27/39/37/491273937.db2.gz WWUXSXLFGZSNFI-HRCADAONSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805747 491273938 /nfs/dbraw/zinc/27/39/38/491273938.db2.gz WWUXSXLFGZSNFI-HRCADAONSA-N 2 1 370.538 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418760967 489723058 /nfs/dbraw/zinc/72/30/58/489723058.db2.gz FPZWVYDVFBRJHI-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459216697 489723269 /nfs/dbraw/zinc/72/32/69/489723269.db2.gz VLACFRJOFDDPOC-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459277767 489724697 /nfs/dbraw/zinc/72/46/97/489724697.db2.gz AYUCNSPURMVFCB-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000459277767 489724703 /nfs/dbraw/zinc/72/47/03/489724703.db2.gz AYUCNSPURMVFCB-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000459277767 489724707 /nfs/dbraw/zinc/72/47/07/489724707.db2.gz AYUCNSPURMVFCB-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459277767 489724710 /nfs/dbraw/zinc/72/47/10/489724710.db2.gz AYUCNSPURMVFCB-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459277767 489724715 /nfs/dbraw/zinc/72/47/15/489724715.db2.gz AYUCNSPURMVFCB-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774521 489725781 /nfs/dbraw/zinc/72/57/81/489725781.db2.gz YWRMCMPOHMNNGB-OALUTQOASA-N 2 1 374.533 0.981 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418786731 489726723 /nfs/dbraw/zinc/72/67/23/489726723.db2.gz JFAHBSKQBLMLRA-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418786731 489726724 /nfs/dbraw/zinc/72/67/24/489726724.db2.gz JFAHBSKQBLMLRA-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000555809373 491274616 /nfs/dbraw/zinc/27/46/16/491274616.db2.gz LBZFRTXBBXFCMS-LVQVYYBASA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000555809373 491274619 /nfs/dbraw/zinc/27/46/19/491274619.db2.gz LBZFRTXBBXFCMS-LVQVYYBASA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000555809373 491274621 /nfs/dbraw/zinc/27/46/21/491274621.db2.gz LBZFRTXBBXFCMS-LVQVYYBASA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000555809373 491274622 /nfs/dbraw/zinc/27/46/22/491274622.db2.gz LBZFRTXBBXFCMS-LVQVYYBASA-N 2 1 368.522 0.589 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829370 489742769 /nfs/dbraw/zinc/74/27/69/489742769.db2.gz IOPSDYBYKKSRNU-UKRRQHHQSA-N 2 1 350.463 0.893 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000418836035 489746662 /nfs/dbraw/zinc/74/66/62/489746662.db2.gz OTOVJRUXADEKDB-CVEARBPZSA-N 2 1 362.474 0.991 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccco1 ZINC000418835467 489747233 /nfs/dbraw/zinc/74/72/33/489747233.db2.gz PPMIEIBWLULKRM-GVDBMIGSSA-N 2 1 370.453 0.952 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000430593798 489749356 /nfs/dbraw/zinc/74/93/56/489749356.db2.gz JGQUTYMXHNORQL-STQMWFEESA-N 2 1 370.519 0.816 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000430593798 489749357 /nfs/dbraw/zinc/74/93/57/489749357.db2.gz JGQUTYMXHNORQL-STQMWFEESA-N 2 1 370.519 0.816 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459713738 489749739 /nfs/dbraw/zinc/74/97/39/489749739.db2.gz UQZFXXKYSXYHRW-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459713738 489749742 /nfs/dbraw/zinc/74/97/42/489749742.db2.gz UQZFXXKYSXYHRW-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459713738 489749746 /nfs/dbraw/zinc/74/97/46/489749746.db2.gz UQZFXXKYSXYHRW-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459713738 489749748 /nfs/dbraw/zinc/74/97/48/489749748.db2.gz UQZFXXKYSXYHRW-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000430602108 489750227 /nfs/dbraw/zinc/75/02/27/489750227.db2.gz GFPLQPTUMQBXLU-QWHCGFSZSA-N 2 1 364.412 0.574 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418839731 489750473 /nfs/dbraw/zinc/75/04/73/489750473.db2.gz DMRJSJNWLZZSJH-RCCFBDPRSA-N 2 1 356.470 0.445 20 0 FCADMP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600974 489750896 /nfs/dbraw/zinc/75/08/96/489750896.db2.gz CCRPOBBPAWPBHS-INIZCTEOSA-N 2 1 364.465 0.961 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cccs1 ZINC000430600129 489750909 /nfs/dbraw/zinc/75/09/09/489750909.db2.gz ADEJQTAYYGIFSK-CQSZACIVSA-N 2 1 350.488 0.508 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cccs1 ZINC000430600129 489750913 /nfs/dbraw/zinc/75/09/13/489750913.db2.gz ADEJQTAYYGIFSK-CQSZACIVSA-N 2 1 350.488 0.508 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430598300 489750957 /nfs/dbraw/zinc/75/09/57/489750957.db2.gz CHJIAMDKZBPAPH-GDBMZVCRSA-N 2 1 360.458 0.413 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474297485 489751652 /nfs/dbraw/zinc/75/16/52/489751652.db2.gz DGGNJHHQGRSGLX-SFHVURJKSA-N 2 1 358.486 0.692 20 0 FCADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430607046 489751768 /nfs/dbraw/zinc/75/17/68/489751768.db2.gz XAWSPLZUHVWDNG-CQSZACIVSA-N 2 1 361.446 0.370 20 0 FCADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430607046 489751771 /nfs/dbraw/zinc/75/17/71/489751771.db2.gz XAWSPLZUHVWDNG-CQSZACIVSA-N 2 1 361.446 0.370 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418842323 489752220 /nfs/dbraw/zinc/75/22/20/489752220.db2.gz ZTSRPLAGMAQBEE-MRXNPFEDSA-N 2 1 368.522 0.627 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418843041 489752613 /nfs/dbraw/zinc/75/26/13/489752613.db2.gz RBMRWEIHIZWOFG-DNVCBOLYSA-N 2 1 360.458 0.745 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000418848594 489754134 /nfs/dbraw/zinc/75/41/34/489754134.db2.gz LUQBLLSYUHZFRX-HIFRSBDPSA-N 2 1 350.463 0.528 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000418848319 489754259 /nfs/dbraw/zinc/75/42/59/489754259.db2.gz LCHRCWIROMRNHS-HOCLYGCPSA-N 2 1 362.474 0.672 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418848590 489754678 /nfs/dbraw/zinc/75/46/78/489754678.db2.gz LTNSHDBENHUYSO-GDBMZVCRSA-N 2 1 362.474 0.482 20 0 FCADMP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430620568 489756346 /nfs/dbraw/zinc/75/63/46/489756346.db2.gz IGMUUYLCUYSCGA-AWEZNQCLSA-N 2 1 369.487 0.256 20 0 FCADMP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430620568 489756349 /nfs/dbraw/zinc/75/63/49/489756349.db2.gz IGMUUYLCUYSCGA-AWEZNQCLSA-N 2 1 369.487 0.256 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc2C1 ZINC000430630273 489757340 /nfs/dbraw/zinc/75/73/40/489757340.db2.gz RWSBMZDWQZBEPX-LJQANCHMSA-N 2 1 370.497 0.715 20 0 FCADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430633894 489758975 /nfs/dbraw/zinc/75/89/75/489758975.db2.gz QRUWBDGATGYQSV-INIZCTEOSA-N 2 1 362.474 0.277 20 0 FCADMP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430640804 489759921 /nfs/dbraw/zinc/75/99/21/489759921.db2.gz HZGYMVFKBGRLPB-CABCVRRESA-N 2 1 362.474 0.659 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637935 489759932 /nfs/dbraw/zinc/75/99/32/489759932.db2.gz DSAQJUUVOFEZFD-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637935 489759936 /nfs/dbraw/zinc/75/99/36/489759936.db2.gz DSAQJUUVOFEZFD-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640870 489760316 /nfs/dbraw/zinc/76/03/16/489760316.db2.gz LEKSPNGQIGSQQF-QZTJIDSGSA-N 2 1 358.486 0.960 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000418856683 489760367 /nfs/dbraw/zinc/76/03/67/489760367.db2.gz XFRHJRLXYUFAON-HNAYVOBHSA-N 2 1 362.474 0.611 20 0 FCADMP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)nc12 ZINC000430637267 489760631 /nfs/dbraw/zinc/76/06/31/489760631.db2.gz CGVGIRUWTSLWEJ-INIZCTEOSA-N 2 1 369.469 0.647 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642597 489760959 /nfs/dbraw/zinc/76/09/59/489760959.db2.gz PDODYLLEFNNRMM-KBPBESRZSA-N 2 1 350.467 0.151 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642597 489760962 /nfs/dbraw/zinc/76/09/62/489760962.db2.gz PDODYLLEFNNRMM-KBPBESRZSA-N 2 1 350.467 0.151 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474416285 489761279 /nfs/dbraw/zinc/76/12/79/489761279.db2.gz WANDZHQRYLKKJH-GPANFISMSA-N 2 1 351.495 0.642 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000418860228 489761301 /nfs/dbraw/zinc/76/13/01/489761301.db2.gz LTILQQZVQOFQGK-KZNAEPCWSA-N 2 1 374.485 0.342 20 0 FCADMP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430648354 489761698 /nfs/dbraw/zinc/76/16/98/489761698.db2.gz QYEBJTWNDDZUAE-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP COc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430648354 489761703 /nfs/dbraw/zinc/76/17/03/489761703.db2.gz QYEBJTWNDDZUAE-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649015 489761757 /nfs/dbraw/zinc/76/17/57/489761757.db2.gz RSFCUIPRRBINHA-IUODEOHRSA-N 2 1 354.476 0.864 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649015 489761763 /nfs/dbraw/zinc/76/17/63/489761763.db2.gz RSFCUIPRRBINHA-IUODEOHRSA-N 2 1 354.476 0.864 20 0 FCADMP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652014 489763137 /nfs/dbraw/zinc/76/31/37/489763137.db2.gz WQIWMAAWPZSEOL-HIFRSBDPSA-N 2 1 350.438 0.617 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccccc1F ZINC000430661543 489763206 /nfs/dbraw/zinc/76/32/06/489763206.db2.gz GAKKYVFUDSKQFT-MRXNPFEDSA-N 2 1 362.449 0.586 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)C[NH2+]1 ZINC000418862561 489763276 /nfs/dbraw/zinc/76/32/76/489763276.db2.gz ANOWVTSRKRVVQW-IIDMSEBBSA-N 2 1 374.485 0.078 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000430654111 489763835 /nfs/dbraw/zinc/76/38/35/489763835.db2.gz PNSZFLQHJOCTNW-INIZCTEOSA-N 2 1 358.486 0.969 20 0 FCADMP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671300 489764826 /nfs/dbraw/zinc/76/48/26/489764826.db2.gz XKMPKCKEEWVABR-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418865893 489765047 /nfs/dbraw/zinc/76/50/47/489765047.db2.gz SHVNISVNDCLXRT-KRWDZBQOSA-N 2 1 358.486 0.883 20 0 FCADMP CCc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000418871337 489767695 /nfs/dbraw/zinc/76/76/95/489767695.db2.gz ZSAADGKVDYOINY-CQSZACIVSA-N 2 1 356.417 0.678 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000459862140 489772878 /nfs/dbraw/zinc/77/28/78/489772878.db2.gz INECSULGPBTBFA-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430874897 489774526 /nfs/dbraw/zinc/77/45/26/489774526.db2.gz JACOWGALOKZFIU-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430894029 489775426 /nfs/dbraw/zinc/77/54/26/489775426.db2.gz JBJDZFLQGGHDQA-OAHLLOKOSA-N 2 1 350.467 0.352 20 0 FCADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000430937664 489779934 /nfs/dbraw/zinc/77/99/34/489779934.db2.gz DJCREJNMYQJUII-INIZCTEOSA-N 2 1 350.507 0.908 20 0 FCADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000430937664 489779937 /nfs/dbraw/zinc/77/99/37/489779937.db2.gz DJCREJNMYQJUII-INIZCTEOSA-N 2 1 350.507 0.908 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000431011970 489785630 /nfs/dbraw/zinc/78/56/30/489785630.db2.gz FPMWCAXPPGDKHI-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431061430 489787325 /nfs/dbraw/zinc/78/73/25/489787325.db2.gz KFDBJGZAUPZKTA-UHFFFAOYSA-N 2 1 363.510 0.206 20 0 FCADMP NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000431092853 489788738 /nfs/dbraw/zinc/78/87/38/489788738.db2.gz FYJGRZISIYDYOV-QGZVFWFLSA-N 2 1 364.465 0.804 20 0 FCADMP CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000459918023 489792072 /nfs/dbraw/zinc/79/20/72/489792072.db2.gz RJEWLYMTZSKUJA-UHFFFAOYSA-N 2 1 366.506 0.254 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919703 489792220 /nfs/dbraw/zinc/79/22/20/489792220.db2.gz KHCBHMVEUZDIDA-JKSUJKDBSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000418928704 489794551 /nfs/dbraw/zinc/79/45/51/489794551.db2.gz VICNXHDWNJFFAA-YVSFHVDLSA-N 2 1 366.506 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000418933351 489795062 /nfs/dbraw/zinc/79/50/62/489795062.db2.gz ZTNRSLHKACNFRX-JKSUJKDBSA-N 2 1 356.511 0.291 20 0 FCADMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563957783 491279607 /nfs/dbraw/zinc/27/96/07/491279607.db2.gz SUYDDKODDMDOML-BZSNNMDCSA-N 2 1 369.531 0.711 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418954172 489803835 /nfs/dbraw/zinc/80/38/35/489803835.db2.gz WCHCMXMXVWZJGG-JXFKEZNVSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459986243 489809220 /nfs/dbraw/zinc/80/92/20/489809220.db2.gz FVQCRNODQOKIAP-SFHVURJKSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459986243 489809223 /nfs/dbraw/zinc/80/92/23/489809223.db2.gz FVQCRNODQOKIAP-SFHVURJKSA-N 2 1 362.518 0.731 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC3CC[NH+](C)CC3)CC2)c1 ZINC000460019945 489820106 /nfs/dbraw/zinc/82/01/06/489820106.db2.gz YOEMJRKBKOEYCR-UHFFFAOYSA-N 2 1 373.501 0.839 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419019389 489820315 /nfs/dbraw/zinc/82/03/15/489820315.db2.gz DIRBYJVLAISCSI-QPSCCSFWSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419023062 489821653 /nfs/dbraw/zinc/82/16/53/489821653.db2.gz IZFHBDGRLQBCBZ-XFIYOXNOSA-N 2 1 368.522 0.698 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419026391 489823311 /nfs/dbraw/zinc/82/33/11/489823311.db2.gz NLXQBKUDZGPJPL-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000419026744 489823604 /nfs/dbraw/zinc/82/36/04/489823604.db2.gz NOYWHWWLSVHJIH-GFCCVEGCSA-N 2 1 361.421 0.908 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1F ZINC000419031862 489825915 /nfs/dbraw/zinc/82/59/15/489825915.db2.gz VWBBCAFCWGAFOZ-UHFFFAOYSA-N 2 1 359.405 0.886 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000419032389 489826116 /nfs/dbraw/zinc/82/61/16/489826116.db2.gz WKJQQAAQSOPMRF-AWEZNQCLSA-N 2 1 359.405 0.756 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419034207 489827492 /nfs/dbraw/zinc/82/74/92/489827492.db2.gz DITGMQYADMTMGP-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nccn2C)[C@H](C)C1 ZINC000563985558 491281671 /nfs/dbraw/zinc/28/16/71/491281671.db2.gz FMYOVJYSROBPKM-HUUCEWRRSA-N 2 1 365.478 0.290 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419044626 489832238 /nfs/dbraw/zinc/83/22/38/489832238.db2.gz UKRFSRHESZZXFS-XHSDSOJGSA-N 2 1 354.495 0.189 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419047053 489834467 /nfs/dbraw/zinc/83/44/67/489834467.db2.gz RGJOVGBORCCDSX-ARFHVFGLSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049114 489835122 /nfs/dbraw/zinc/83/51/22/489835122.db2.gz WWRMSDXQDMUFCZ-OCCSQVGLSA-N 2 1 354.401 0.648 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049114 489835127 /nfs/dbraw/zinc/83/51/27/489835127.db2.gz WWRMSDXQDMUFCZ-OCCSQVGLSA-N 2 1 354.401 0.648 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419051893 489835982 /nfs/dbraw/zinc/83/59/82/489835982.db2.gz CFONKDYAQJKNTO-KZNAEPCWSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419058180 489838366 /nfs/dbraw/zinc/83/83/66/489838366.db2.gz BHYHFGMOXXAGEV-XQLPTFJDSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419058180 489838368 /nfs/dbraw/zinc/83/83/68/489838368.db2.gz BHYHFGMOXXAGEV-XQLPTFJDSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419067800 489843021 /nfs/dbraw/zinc/84/30/21/489843021.db2.gz GNSLDIPSGSJEGQ-HUUCEWRRSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419067800 489843025 /nfs/dbraw/zinc/84/30/25/489843025.db2.gz GNSLDIPSGSJEGQ-HUUCEWRRSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419071469 489845223 /nfs/dbraw/zinc/84/52/23/489845223.db2.gz LIKDFXFQBVTFGJ-HUUCEWRRSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419071469 489845227 /nfs/dbraw/zinc/84/52/27/489845227.db2.gz LIKDFXFQBVTFGJ-HUUCEWRRSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074152 489846164 /nfs/dbraw/zinc/84/61/64/489846164.db2.gz NCZARTDPHZIQAD-KDOFPFPSSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074152 489846168 /nfs/dbraw/zinc/84/61/68/489846168.db2.gz NCZARTDPHZIQAD-KDOFPFPSSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000419090644 489852210 /nfs/dbraw/zinc/85/22/10/489852210.db2.gz VDHMYORGMJUWQM-ZRGWGRIASA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000419090644 489852212 /nfs/dbraw/zinc/85/22/12/489852212.db2.gz VDHMYORGMJUWQM-ZRGWGRIASA-N 2 1 368.522 0.496 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000419094011 489853659 /nfs/dbraw/zinc/85/36/59/489853659.db2.gz ZARPNUWCEZQQRD-JYJNAYRXSA-N 2 1 368.522 0.448 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000460221901 489855627 /nfs/dbraw/zinc/85/56/27/489855627.db2.gz QBZQQDNRSUATOH-UHFFFAOYSA-N 2 1 367.538 0.328 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419110684 489858538 /nfs/dbraw/zinc/85/85/38/489858538.db2.gz CLBSBYMOUBYSNZ-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109934 489859123 /nfs/dbraw/zinc/85/91/23/489859123.db2.gz BJXUQHIHKCSSDK-CVEARBPZSA-N 2 1 354.495 0.189 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)[NH+]1CCOCC1 ZINC000419111977 489859949 /nfs/dbraw/zinc/85/99/49/489859949.db2.gz DVUIJUVRCDWEQY-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067456 491283921 /nfs/dbraw/zinc/28/39/21/491283921.db2.gz UBAJBRALYUBXDA-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571067456 491283924 /nfs/dbraw/zinc/28/39/24/491283924.db2.gz UBAJBRALYUBXDA-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000571067456 491283929 /nfs/dbraw/zinc/28/39/29/491283929.db2.gz UBAJBRALYUBXDA-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000476044888 489865050 /nfs/dbraw/zinc/86/50/50/489865050.db2.gz YCLLFEIETOXZLZ-KRWDZBQOSA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419986995 489874135 /nfs/dbraw/zinc/87/41/35/489874135.db2.gz WXYGTBYMHZDYGT-KSZLIROESA-N 2 1 358.486 0.676 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000419991487 489875055 /nfs/dbraw/zinc/87/50/55/489875055.db2.gz DKLVSQQJELMOBM-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000419991487 489875059 /nfs/dbraw/zinc/87/50/59/489875059.db2.gz DKLVSQQJELMOBM-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000476243773 489876539 /nfs/dbraw/zinc/87/65/39/489876539.db2.gz DQJASUQGNJQIHF-AWEZNQCLSA-N 2 1 364.494 0.762 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420020114 489882086 /nfs/dbraw/zinc/88/20/86/489882086.db2.gz RPNLTZIILOCIAN-WBVHZDCISA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420020114 489882092 /nfs/dbraw/zinc/88/20/92/489882092.db2.gz RPNLTZIILOCIAN-WBVHZDCISA-N 2 1 367.538 0.105 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433470151 489888049 /nfs/dbraw/zinc/88/80/49/489888049.db2.gz YGWVWOTXMGEDSS-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433470151 489888054 /nfs/dbraw/zinc/88/80/54/489888054.db2.gz YGWVWOTXMGEDSS-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433470151 489888059 /nfs/dbraw/zinc/88/80/59/489888059.db2.gz YGWVWOTXMGEDSS-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044156 489891814 /nfs/dbraw/zinc/89/18/14/489891814.db2.gz SOZLKFJDWWGGKJ-IMJJTQAJSA-N 2 1 366.506 0.406 20 0 FCADMP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420060797 489898038 /nfs/dbraw/zinc/89/80/38/489898038.db2.gz KUJYZFSTJCSRKU-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069221 489901992 /nfs/dbraw/zinc/90/19/92/489901992.db2.gz VNMMYJPCABRDPI-ZWKOTPCHSA-N 2 1 373.501 0.748 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420080357 489905498 /nfs/dbraw/zinc/90/54/98/489905498.db2.gz GPOPAYVMDWVBQD-LZWOXQAQSA-N 2 1 354.495 0.236 20 0 FCADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@]1(CO)CCOC1 ZINC000461363041 489905973 /nfs/dbraw/zinc/90/59/73/489905973.db2.gz RVCFQSCOHVRYMU-HXUWFJFHSA-N 2 1 361.486 0.982 20 0 FCADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@]1(CO)CCOC1 ZINC000461363041 489905977 /nfs/dbraw/zinc/90/59/77/489905977.db2.gz RVCFQSCOHVRYMU-HXUWFJFHSA-N 2 1 361.486 0.982 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093704 489909141 /nfs/dbraw/zinc/90/91/41/489909141.db2.gz QBNJLRKOCIOLHO-UHFFFAOYSA-N 2 1 368.522 0.581 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)c1 ZINC000420123087 489919878 /nfs/dbraw/zinc/91/98/78/489919878.db2.gz OIXMEDSBXAXFFZ-UHFFFAOYSA-N 2 1 359.474 0.545 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000495125616 489927110 /nfs/dbraw/zinc/92/71/10/489927110.db2.gz AXOGKRGJOFMYBJ-CVEARBPZSA-N 2 1 370.538 0.972 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377588083 489927097 /nfs/dbraw/zinc/92/70/97/489927097.db2.gz NQJIODXSZUCZDG-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377588083 489927101 /nfs/dbraw/zinc/92/71/01/489927101.db2.gz NQJIODXSZUCZDG-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)n2C ZINC000434417362 489927152 /nfs/dbraw/zinc/92/71/52/489927152.db2.gz TXAMSBFXWSKOBO-CYBMUJFWSA-N 2 1 360.462 0.611 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420139791 489927325 /nfs/dbraw/zinc/92/73/25/489927325.db2.gz OWKUEBRKHKWCGI-UHFFFAOYSA-N 2 1 356.470 0.757 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420140405 489927891 /nfs/dbraw/zinc/92/78/91/489927891.db2.gz PYEGKLMSBRHPAY-UHFFFAOYSA-N 2 1 362.499 0.471 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000477030821 489933420 /nfs/dbraw/zinc/93/34/20/489933420.db2.gz GAFVYBQPUHGGBV-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000477030821 489933424 /nfs/dbraw/zinc/93/34/24/489933424.db2.gz GAFVYBQPUHGGBV-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420166792 489937363 /nfs/dbraw/zinc/93/73/63/489937363.db2.gz OLIQQHISSWALLM-HOTGVXAUSA-N 2 1 366.506 0.062 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000556016812 491289613 /nfs/dbraw/zinc/28/96/13/491289613.db2.gz JMOJOEIMVUZBTL-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000420183577 489944229 /nfs/dbraw/zinc/94/42/29/489944229.db2.gz HNFBENCQIGTRHY-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169704 491290054 /nfs/dbraw/zinc/29/00/54/491290054.db2.gz YAVXQTCOODHJPB-GVDBMIGSSA-N 2 1 363.506 0.608 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420210230 489953692 /nfs/dbraw/zinc/95/36/92/489953692.db2.gz VZMXNDTUADESFZ-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000420302327 489961230 /nfs/dbraw/zinc/96/12/30/489961230.db2.gz FSSMSLRALQMWEG-GOSISDBHSA-N 2 1 351.539 0.299 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000420328111 489963306 /nfs/dbraw/zinc/96/33/06/489963306.db2.gz HMCDIRHUPZHDGQ-QKLQHJQFSA-N 2 1 359.470 0.935 20 0 FCADMP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333726 489963877 /nfs/dbraw/zinc/96/38/77/489963877.db2.gz SVEKELWCHJRXOG-QWHCGFSZSA-N 2 1 363.462 0.445 20 0 FCADMP O=C(C[C@@H]1CSCC[NH2+]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000434880570 489964720 /nfs/dbraw/zinc/96/47/20/489964720.db2.gz PEAITPKWFSRUGY-MRXNPFEDSA-N 2 1 363.531 0.805 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000420348343 489965411 /nfs/dbraw/zinc/96/54/11/489965411.db2.gz KYUIUBBSDXYJBE-GOSISDBHSA-N 2 1 357.502 0.145 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000420348343 489965412 /nfs/dbraw/zinc/96/54/12/489965412.db2.gz KYUIUBBSDXYJBE-GOSISDBHSA-N 2 1 357.502 0.145 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000420351837 489966444 /nfs/dbraw/zinc/96/64/44/489966444.db2.gz XUIGYNACZQNQSG-INIZCTEOSA-N 2 1 350.438 0.300 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000420351837 489966447 /nfs/dbraw/zinc/96/64/47/489966447.db2.gz XUIGYNACZQNQSG-INIZCTEOSA-N 2 1 350.438 0.300 20 0 FCADMP Cn1cc(C[N@H+]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000420359895 489967856 /nfs/dbraw/zinc/96/78/56/489967856.db2.gz LBJJRWNCFGYQGH-PMACEKPBSA-N 2 1 357.502 0.859 20 0 FCADMP Cn1cc(CN2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000420359895 489967859 /nfs/dbraw/zinc/96/78/59/489967859.db2.gz LBJJRWNCFGYQGH-PMACEKPBSA-N 2 1 357.502 0.859 20 0 FCADMP Cn1cc(CN2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000420359895 489967862 /nfs/dbraw/zinc/96/78/62/489967862.db2.gz LBJJRWNCFGYQGH-PMACEKPBSA-N 2 1 357.502 0.859 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000477497771 489969660 /nfs/dbraw/zinc/96/96/60/489969660.db2.gz GTXFCPDUHXURPR-MRXNPFEDSA-N 2 1 368.503 0.366 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000477497771 489969664 /nfs/dbraw/zinc/96/96/64/489969664.db2.gz GTXFCPDUHXURPR-MRXNPFEDSA-N 2 1 368.503 0.366 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000477497770 489969673 /nfs/dbraw/zinc/96/96/73/489969673.db2.gz GTXFCPDUHXURPR-INIZCTEOSA-N 2 1 368.503 0.366 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000477497770 489969676 /nfs/dbraw/zinc/96/96/76/489969676.db2.gz GTXFCPDUHXURPR-INIZCTEOSA-N 2 1 368.503 0.366 20 0 FCADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420406301 489972802 /nfs/dbraw/zinc/97/28/02/489972802.db2.gz NMSUCMFCZCPYFY-CHWSQXEVSA-N 2 1 354.476 0.579 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000477617671 489977457 /nfs/dbraw/zinc/97/74/57/489977457.db2.gz SIUBIUYPONDCAN-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000477617671 489977461 /nfs/dbraw/zinc/97/74/61/489977461.db2.gz SIUBIUYPONDCAN-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000477655399 489982702 /nfs/dbraw/zinc/98/27/02/489982702.db2.gz XIFMLNXZTDMGNY-MRXNPFEDSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000477675409 489984035 /nfs/dbraw/zinc/98/40/35/489984035.db2.gz GNOISISEFVIVHH-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000571149412 491288448 /nfs/dbraw/zinc/28/84/48/491288448.db2.gz DFSZAQOWBBYROY-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571149412 491288450 /nfs/dbraw/zinc/28/84/50/491288450.db2.gz DFSZAQOWBBYROY-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478423414 490018880 /nfs/dbraw/zinc/01/88/80/490018880.db2.gz YFDOPXDIOASPGZ-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378207965 490028526 /nfs/dbraw/zinc/02/85/26/490028526.db2.gz UQFGQMRNDBUYNR-SFHVURJKSA-N 2 1 350.438 0.953 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897322 490029475 /nfs/dbraw/zinc/02/94/75/490029475.db2.gz CJHNNAAAADHIIE-DLBZAZTESA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000420897322 490029480 /nfs/dbraw/zinc/02/94/80/490029480.db2.gz CJHNNAAAADHIIE-DLBZAZTESA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000420897322 490029484 /nfs/dbraw/zinc/02/94/84/490029484.db2.gz CJHNNAAAADHIIE-DLBZAZTESA-N 2 1 368.522 0.401 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000478686390 490031678 /nfs/dbraw/zinc/03/16/78/490031678.db2.gz IUOFJKLJWYJAEB-QGZVFWFLSA-N 2 1 361.490 0.091 20 0 FCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378303092 490044073 /nfs/dbraw/zinc/04/40/73/490044073.db2.gz BTJDSPAJYWHLLA-FQEVSTJZSA-N 2 1 371.529 0.310 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556122774 491296662 /nfs/dbraw/zinc/29/66/62/491296662.db2.gz DTOGHOYWWVFOLW-XHSDSOJGSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556122774 491296664 /nfs/dbraw/zinc/29/66/64/491296664.db2.gz DTOGHOYWWVFOLW-XHSDSOJGSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479201607 490072931 /nfs/dbraw/zinc/07/29/31/490072931.db2.gz ISCWKVCHMTVVPL-SJORKVTESA-N 2 1 364.465 0.927 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000491063812 490075540 /nfs/dbraw/zinc/07/55/40/490075540.db2.gz DQNINHSXYCRMSM-UHFFFAOYSA-N 2 1 371.551 0.231 20 0 FCADMP CC(C)C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000519764954 490079907 /nfs/dbraw/zinc/07/99/07/490079907.db2.gz JAUFVPWNBAUGTG-CVEARBPZSA-N 2 1 354.495 0.108 20 0 FCADMP O[C@@H](COc1ccccc1F)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378545593 490086198 /nfs/dbraw/zinc/08/61/98/490086198.db2.gz UTOVXDXSBWDJRZ-MRXNPFEDSA-N 2 1 368.449 0.725 20 0 FCADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000495669738 490086602 /nfs/dbraw/zinc/08/66/02/490086602.db2.gz PBUGYNOSGFYUAJ-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000519810896 490086668 /nfs/dbraw/zinc/08/66/68/490086668.db2.gz FLEMERRANVIDIZ-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000520216892 490116541 /nfs/dbraw/zinc/11/65/41/490116541.db2.gz TULHLNIUYZLRTA-QZTJIDSGSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000520216892 490116546 /nfs/dbraw/zinc/11/65/46/490116546.db2.gz TULHLNIUYZLRTA-QZTJIDSGSA-N 2 1 358.486 0.569 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496413057 490118336 /nfs/dbraw/zinc/11/83/36/490118336.db2.gz SOSZGJWKMYHHDS-UHFFFAOYSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@H+]1C1CC1 ZINC000571324423 491300732 /nfs/dbraw/zinc/30/07/32/491300732.db2.gz XBIWMWIBGLRNKR-PVAVHDDUSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324423 491300733 /nfs/dbraw/zinc/30/07/33/491300733.db2.gz XBIWMWIBGLRNKR-PVAVHDDUSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324423 491300735 /nfs/dbraw/zinc/30/07/35/491300735.db2.gz XBIWMWIBGLRNKR-PVAVHDDUSA-N 2 1 362.518 0.918 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000465554569 490129935 /nfs/dbraw/zinc/12/99/35/490129935.db2.gz YJCHVAIAFAYANQ-HOCLYGCPSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000465554569 490129943 /nfs/dbraw/zinc/12/99/43/490129943.db2.gz YJCHVAIAFAYANQ-HOCLYGCPSA-N 2 1 353.511 0.759 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569470 490130024 /nfs/dbraw/zinc/13/00/24/490130024.db2.gz NFJKCLJKRBKDDC-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000390953730 490139151 /nfs/dbraw/zinc/13/91/51/490139151.db2.gz TYTLOGGJJKWVRF-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000564343055 491302093 /nfs/dbraw/zinc/30/20/93/491302093.db2.gz OISOUCSHABHOKU-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000564343055 491302094 /nfs/dbraw/zinc/30/20/94/491302094.db2.gz OISOUCSHABHOKU-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000520384989 490141025 /nfs/dbraw/zinc/14/10/25/490141025.db2.gz JBWGBEPXONGNNF-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354153 491302882 /nfs/dbraw/zinc/30/28/82/491302882.db2.gz DPBPJQUZNLPJDH-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000556209286 491303606 /nfs/dbraw/zinc/30/36/06/491303606.db2.gz YXPFCBUFAGYYQN-ZQIUZPCESA-N 2 1 356.536 0.481 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000556209286 491303607 /nfs/dbraw/zinc/30/36/07/491303607.db2.gz YXPFCBUFAGYYQN-ZQIUZPCESA-N 2 1 356.536 0.481 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000422120243 490172531 /nfs/dbraw/zinc/17/25/31/490172531.db2.gz PNQLFWCAAOZRHC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120243 490172538 /nfs/dbraw/zinc/17/25/38/490172538.db2.gz PNQLFWCAAOZRHC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507153978 490183257 /nfs/dbraw/zinc/18/32/57/490183257.db2.gz KZBMPBIWWLPNEQ-ZFWWWQNUSA-N 2 1 354.414 0.949 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000422179163 490197249 /nfs/dbraw/zinc/19/72/49/490197249.db2.gz KFJNQQMQVSTNCG-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000422179163 490197256 /nfs/dbraw/zinc/19/72/56/490197256.db2.gz KFJNQQMQVSTNCG-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000521026827 490215901 /nfs/dbraw/zinc/21/59/01/490215901.db2.gz SJBLMEVMGNSCIA-RDJZCZTQSA-N 2 1 372.469 0.970 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000497790759 490216325 /nfs/dbraw/zinc/21/63/25/490216325.db2.gz HWSKFFGZIMQJNO-MRXNPFEDSA-N 2 1 364.515 0.771 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000521038717 490217389 /nfs/dbraw/zinc/21/73/89/490217389.db2.gz HSGYGOMPHGHVBL-YESZJQIVSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000447421693 490234208 /nfs/dbraw/zinc/23/42/08/490234208.db2.gz HOHUTNGBRXWSJA-UHFFFAOYSA-N 2 1 364.494 0.621 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291855 490235519 /nfs/dbraw/zinc/23/55/19/490235519.db2.gz FMSHYZYQEVOHCW-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000422291855 490235522 /nfs/dbraw/zinc/23/55/22/490235522.db2.gz FMSHYZYQEVOHCW-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000422291855 490235524 /nfs/dbraw/zinc/23/55/24/490235524.db2.gz FMSHYZYQEVOHCW-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291850 490235755 /nfs/dbraw/zinc/23/57/55/490235755.db2.gz FMSHYZYQEVOHCW-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000422291850 490235758 /nfs/dbraw/zinc/23/57/58/490235758.db2.gz FMSHYZYQEVOHCW-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000422291850 490235761 /nfs/dbraw/zinc/23/57/61/490235761.db2.gz FMSHYZYQEVOHCW-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000422330522 490262314 /nfs/dbraw/zinc/26/23/14/490262314.db2.gz BXIIMEMGPXYGRS-INIZCTEOSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000422330522 490262322 /nfs/dbraw/zinc/26/23/22/490262322.db2.gz BXIIMEMGPXYGRS-INIZCTEOSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000422330522 490262330 /nfs/dbraw/zinc/26/23/30/490262330.db2.gz BXIIMEMGPXYGRS-INIZCTEOSA-N 2 1 367.538 0.070 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344036 490269253 /nfs/dbraw/zinc/26/92/53/490269253.db2.gz USASOMCAOFDZBE-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344036 490269262 /nfs/dbraw/zinc/26/92/62/490269262.db2.gz USASOMCAOFDZBE-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344036 490269270 /nfs/dbraw/zinc/26/92/70/490269270.db2.gz USASOMCAOFDZBE-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507836564 490270116 /nfs/dbraw/zinc/27/01/16/490270116.db2.gz GBYUHWBOKSKEPB-IBGZPJMESA-N 2 1 364.534 0.727 20 0 FCADMP CCN(CC[NH+]1CCCCCC1)c1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000571545195 491314658 /nfs/dbraw/zinc/31/46/58/491314658.db2.gz HLRVCNXKFYBICD-UHFFFAOYSA-N 2 1 365.526 0.642 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000422379269 490288941 /nfs/dbraw/zinc/28/89/41/490288941.db2.gz NUCMJYAYDSDULH-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000422379269 490288953 /nfs/dbraw/zinc/28/89/53/490288953.db2.gz NUCMJYAYDSDULH-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000422379269 490288960 /nfs/dbraw/zinc/28/89/60/490288960.db2.gz NUCMJYAYDSDULH-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000447979831 490307278 /nfs/dbraw/zinc/30/72/78/490307278.db2.gz BKSOOORWDCORTP-JKSUJKDBSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979831 490307284 /nfs/dbraw/zinc/30/72/84/490307284.db2.gz BKSOOORWDCORTP-JKSUJKDBSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979831 490307292 /nfs/dbraw/zinc/30/72/92/490307292.db2.gz BKSOOORWDCORTP-JKSUJKDBSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000498590267 490314633 /nfs/dbraw/zinc/31/46/33/490314633.db2.gz UTNKMNRASBOBML-INIZCTEOSA-N 2 1 356.511 0.584 20 0 FCADMP CC(C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498594466 490316195 /nfs/dbraw/zinc/31/61/95/490316195.db2.gz WOOLKOZAYROZDN-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498594466 490316202 /nfs/dbraw/zinc/31/62/02/490316202.db2.gz WOOLKOZAYROZDN-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000448208252 490319861 /nfs/dbraw/zinc/31/98/61/490319861.db2.gz GFHMXHHJESTTPI-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000448208252 490319864 /nfs/dbraw/zinc/31/98/64/490319864.db2.gz GFHMXHHJESTTPI-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000448208252 490319865 /nfs/dbraw/zinc/31/98/65/490319865.db2.gz GFHMXHHJESTTPI-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534272082 490338971 /nfs/dbraw/zinc/33/89/71/490338971.db2.gz QRYOXUGBRZHFTM-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000422487341 490352955 /nfs/dbraw/zinc/35/29/55/490352955.db2.gz HZEVFUZADMMPJZ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000422487341 490352966 /nfs/dbraw/zinc/35/29/66/490352966.db2.gz HZEVFUZADMMPJZ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487341 490352974 /nfs/dbraw/zinc/35/29/74/490352974.db2.gz HZEVFUZADMMPJZ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487341 490352985 /nfs/dbraw/zinc/35/29/85/490352985.db2.gz HZEVFUZADMMPJZ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCCC[C@@H]1C ZINC000448488092 490356131 /nfs/dbraw/zinc/35/61/31/490356131.db2.gz OTQKWBWVVRCSKX-LSDHHAIUSA-N 2 1 364.494 0.762 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000422498176 490361926 /nfs/dbraw/zinc/36/19/26/490361926.db2.gz WXGGUUABEJBJRZ-KRWDZBQOSA-N 2 1 373.501 0.887 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000422498176 490361937 /nfs/dbraw/zinc/36/19/37/490361937.db2.gz WXGGUUABEJBJRZ-KRWDZBQOSA-N 2 1 373.501 0.887 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000498947329 490370004 /nfs/dbraw/zinc/37/00/04/490370004.db2.gz HHDZFQDZVRNZDN-IAGOWNOFSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000498947329 490370008 /nfs/dbraw/zinc/37/00/08/490370008.db2.gz HHDZFQDZVRNZDN-IAGOWNOFSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000498947329 490370012 /nfs/dbraw/zinc/37/00/12/490370012.db2.gz HHDZFQDZVRNZDN-IAGOWNOFSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498945497 490370152 /nfs/dbraw/zinc/37/01/52/490370152.db2.gz YNCIDENSKDOFMR-CALCHBBNSA-N 2 1 366.506 0.370 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498945497 490370155 /nfs/dbraw/zinc/37/01/55/490370155.db2.gz YNCIDENSKDOFMR-CALCHBBNSA-N 2 1 366.506 0.370 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498945497 490370159 /nfs/dbraw/zinc/37/01/59/490370159.db2.gz YNCIDENSKDOFMR-CALCHBBNSA-N 2 1 366.506 0.370 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000422546436 490400917 /nfs/dbraw/zinc/40/09/17/490400917.db2.gz URLKZJVMKDWAMR-QGZVFWFLSA-N 2 1 373.501 0.967 20 0 FCADMP C[C@@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449123917 490402597 /nfs/dbraw/zinc/40/25/97/490402597.db2.gz DTKVUPXXCXLXBF-HNNXBMFYSA-N 2 1 367.515 0.947 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548034687 490410075 /nfs/dbraw/zinc/41/00/75/490410075.db2.gz SPTDXQAYWKJAMA-QGZVFWFLSA-N 2 1 369.554 0.501 20 0 FCADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449398014 490412321 /nfs/dbraw/zinc/41/23/21/490412321.db2.gz SLDDKGHZOOFIMO-YLJYHZDGSA-N 2 1 356.470 0.341 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000556642921 491324787 /nfs/dbraw/zinc/32/47/87/491324787.db2.gz ZAHZVISXZOSDHM-HNNXBMFYSA-N 2 1 354.495 0.202 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411254502 490416083 /nfs/dbraw/zinc/41/60/83/490416083.db2.gz NMVJEFKMERTXTI-QGZVFWFLSA-N 2 1 362.474 0.832 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626072 490433761 /nfs/dbraw/zinc/43/37/61/490433761.db2.gz IRFNPZPIAGYZQR-QQFBHYJXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626072 490433766 /nfs/dbraw/zinc/43/37/66/490433766.db2.gz IRFNPZPIAGYZQR-QQFBHYJXSA-N 2 1 368.522 0.279 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571745542 491326379 /nfs/dbraw/zinc/32/63/79/491326379.db2.gz ZZFJOSNXTQHTLJ-OALUTQOASA-N 2 1 357.502 0.950 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000523209568 490448683 /nfs/dbraw/zinc/44/86/83/490448683.db2.gz PIOZWNRWZLCFEX-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523209568 490448689 /nfs/dbraw/zinc/44/86/89/490448689.db2.gz PIOZWNRWZLCFEX-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000523209568 490448695 /nfs/dbraw/zinc/44/86/95/490448695.db2.gz PIOZWNRWZLCFEX-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000509712031 490453729 /nfs/dbraw/zinc/45/37/29/490453729.db2.gz CLQWJKCDRIEQBI-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681889 491327549 /nfs/dbraw/zinc/32/75/49/491327549.db2.gz AWSMLZBQXHRADG-DLBZAZTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681889 491327551 /nfs/dbraw/zinc/32/75/51/491327551.db2.gz AWSMLZBQXHRADG-DLBZAZTESA-N 2 1 350.507 0.526 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000509724509 490458495 /nfs/dbraw/zinc/45/84/95/490458495.db2.gz NKRZLEDUFYXXNM-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP c1cnc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000484773540 490466597 /nfs/dbraw/zinc/46/65/97/490466597.db2.gz BPEZLFHQMOEKJR-IPMKNSEASA-N 2 1 374.533 0.735 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000571778349 491328788 /nfs/dbraw/zinc/32/87/88/491328788.db2.gz JVFGESOPPMWSKQ-HZPDHXFCSA-N 2 1 363.437 0.211 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422759570 490473317 /nfs/dbraw/zinc/47/33/17/490473317.db2.gz LAIYDXPMHVOERY-GJZGRUSLSA-N 2 1 354.520 0.838 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484908911 490476895 /nfs/dbraw/zinc/47/68/95/490476895.db2.gz RXRWGAPRSBGDKH-CHWSQXEVSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484908911 490476903 /nfs/dbraw/zinc/47/69/03/490476903.db2.gz RXRWGAPRSBGDKH-CHWSQXEVSA-N 2 1 351.447 0.998 20 0 FCADMP CCNc1nc(NC[C@H]2CCC[N@@H+]2CCCO)nc(NC(C)(C)C)[nH+]1 ZINC000450592897 490477744 /nfs/dbraw/zinc/47/77/44/490477744.db2.gz HXAORUKDTFOOLO-CYBMUJFWSA-N 2 1 351.499 0.616 20 0 FCADMP CCNc1nc(NC[C@H]2CCC[N@H+]2CCCO)nc(NC(C)(C)C)[nH+]1 ZINC000450592897 490477750 /nfs/dbraw/zinc/47/77/50/490477750.db2.gz HXAORUKDTFOOLO-CYBMUJFWSA-N 2 1 351.499 0.616 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972726 490484374 /nfs/dbraw/zinc/48/43/74/490484374.db2.gz OQKAGZZPFOFYJW-TZMCWYRMSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972726 490484380 /nfs/dbraw/zinc/48/43/80/490484380.db2.gz OQKAGZZPFOFYJW-TZMCWYRMSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440299 490485926 /nfs/dbraw/zinc/48/59/26/490485926.db2.gz KEYVGTDBZUAWGA-GHTZIAJQSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440299 490485931 /nfs/dbraw/zinc/48/59/31/490485931.db2.gz KEYVGTDBZUAWGA-GHTZIAJQSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440299 490485937 /nfs/dbraw/zinc/48/59/37/490485937.db2.gz KEYVGTDBZUAWGA-GHTZIAJQSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693098 490486860 /nfs/dbraw/zinc/48/68/60/490486860.db2.gz VDDVHAMBFNXAJB-VXGBXAGGSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2csc(NC(=O)[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC000523693098 490486862 /nfs/dbraw/zinc/48/68/62/490486862.db2.gz VDDVHAMBFNXAJB-VXGBXAGGSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2csc(NC(=O)[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC000523693098 490486866 /nfs/dbraw/zinc/48/68/66/490486866.db2.gz VDDVHAMBFNXAJB-VXGBXAGGSA-N 2 1 351.476 0.601 20 0 FCADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000422889530 490491506 /nfs/dbraw/zinc/49/15/06/490491506.db2.gz GKBLNBNDEJPPLK-KDOFPFPSSA-N 2 1 354.454 0.950 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571820906 491331240 /nfs/dbraw/zinc/33/12/40/491331240.db2.gz JZXCRLRLVPFOGX-WBVHZDCISA-N 2 1 355.442 0.743 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571820906 491331242 /nfs/dbraw/zinc/33/12/42/491331242.db2.gz JZXCRLRLVPFOGX-WBVHZDCISA-N 2 1 355.442 0.743 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423032260 490524659 /nfs/dbraw/zinc/52/46/59/490524659.db2.gz FDORSAOXPPPGAW-RTBURBONSA-N 2 1 370.497 0.441 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000485482528 490534172 /nfs/dbraw/zinc/53/41/72/490534172.db2.gz SVAGQBYMDFHTAH-DLBZAZTESA-N 2 1 366.506 0.081 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000510796608 490541497 /nfs/dbraw/zinc/54/14/97/490541497.db2.gz JQABDGXHUSCVKK-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000485562204 490543599 /nfs/dbraw/zinc/54/35/99/490543599.db2.gz OQAQWZHFXZVKED-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000485562204 490543603 /nfs/dbraw/zinc/54/36/03/490543603.db2.gz OQAQWZHFXZVKED-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000485562204 490543607 /nfs/dbraw/zinc/54/36/07/490543607.db2.gz OQAQWZHFXZVKED-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000485562204 490543612 /nfs/dbraw/zinc/54/36/12/490543612.db2.gz OQAQWZHFXZVKED-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904967 491334903 /nfs/dbraw/zinc/33/49/03/491334903.db2.gz IIUSXUAXWCCRHK-MAUKXSAKSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904967 491334906 /nfs/dbraw/zinc/33/49/06/491334906.db2.gz IIUSXUAXWCCRHK-MAUKXSAKSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904972 491334916 /nfs/dbraw/zinc/33/49/16/491334916.db2.gz IIUSXUAXWCCRHK-YJBOKZPZSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904972 491334919 /nfs/dbraw/zinc/33/49/19/491334919.db2.gz IIUSXUAXWCCRHK-YJBOKZPZSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000564914919 491335750 /nfs/dbraw/zinc/33/57/50/491335750.db2.gz ANHXRPHBADSEMJ-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000564914919 491335754 /nfs/dbraw/zinc/33/57/54/491335754.db2.gz ANHXRPHBADSEMJ-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)cc[nH+]1 ZINC000485792984 490559350 /nfs/dbraw/zinc/55/93/50/490559350.db2.gz ZTDHDGGUUDRHHQ-CYBMUJFWSA-N 2 1 370.461 0.305 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000511265649 490575143 /nfs/dbraw/zinc/57/51/43/490575143.db2.gz BIJZCFVCKHGROH-GJZGRUSLSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000511265649 490575147 /nfs/dbraw/zinc/57/51/47/490575147.db2.gz BIJZCFVCKHGROH-GJZGRUSLSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@@H](C)C1 ZINC000511265649 490575150 /nfs/dbraw/zinc/57/51/50/490575150.db2.gz BIJZCFVCKHGROH-GJZGRUSLSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000511265649 490575154 /nfs/dbraw/zinc/57/51/54/490575154.db2.gz BIJZCFVCKHGROH-GJZGRUSLSA-N 2 1 352.479 0.916 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989332 490579073 /nfs/dbraw/zinc/57/90/73/490579073.db2.gz NHFVYFFPVAEJHM-MHORFTMASA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989332 490579077 /nfs/dbraw/zinc/57/90/77/490579077.db2.gz NHFVYFFPVAEJHM-MHORFTMASA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989332 490579083 /nfs/dbraw/zinc/57/90/83/490579083.db2.gz NHFVYFFPVAEJHM-MHORFTMASA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989332 490579086 /nfs/dbraw/zinc/57/90/86/490579086.db2.gz NHFVYFFPVAEJHM-MHORFTMASA-N 2 1 350.507 0.477 20 0 FCADMP Cc1nccn1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000511420130 490593081 /nfs/dbraw/zinc/59/30/81/490593081.db2.gz IGCCDNWIPMLKND-OAHLLOKOSA-N 2 1 350.467 0.468 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000511420130 490593082 /nfs/dbraw/zinc/59/30/82/490593082.db2.gz IGCCDNWIPMLKND-OAHLLOKOSA-N 2 1 350.467 0.468 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000511420130 490593084 /nfs/dbraw/zinc/59/30/84/490593084.db2.gz IGCCDNWIPMLKND-OAHLLOKOSA-N 2 1 350.467 0.468 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000549877533 490613568 /nfs/dbraw/zinc/61/35/68/490613568.db2.gz PSUOEIGGIRXNCN-QGZVFWFLSA-N 2 1 366.506 0.302 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365761 490614517 /nfs/dbraw/zinc/61/45/17/490614517.db2.gz LBMSZGYOFSZGEL-SQNIBIBYSA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000486365761 490614520 /nfs/dbraw/zinc/61/45/20/490614520.db2.gz LBMSZGYOFSZGEL-SQNIBIBYSA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000486365761 490614525 /nfs/dbraw/zinc/61/45/25/490614525.db2.gz LBMSZGYOFSZGEL-SQNIBIBYSA-N 2 1 352.523 0.438 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501594000 490621252 /nfs/dbraw/zinc/62/12/52/490621252.db2.gz CZQIMLIWFMEYRR-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501594000 490621258 /nfs/dbraw/zinc/62/12/58/490621258.db2.gz CZQIMLIWFMEYRR-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501594000 490621264 /nfs/dbraw/zinc/62/12/64/490621264.db2.gz CZQIMLIWFMEYRR-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000501614965 490624154 /nfs/dbraw/zinc/62/41/54/490624154.db2.gz PXFAXMZXHVVSAN-GOSISDBHSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000501614965 490624158 /nfs/dbraw/zinc/62/41/58/490624158.db2.gz PXFAXMZXHVVSAN-GOSISDBHSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501617881 490625012 /nfs/dbraw/zinc/62/50/12/490625012.db2.gz ZIMVVPPZQILSNI-INIZCTEOSA-N 2 1 368.547 0.532 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501617881 490625019 /nfs/dbraw/zinc/62/50/19/490625019.db2.gz ZIMVVPPZQILSNI-INIZCTEOSA-N 2 1 368.547 0.532 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000525815358 490636688 /nfs/dbraw/zinc/63/66/88/490636688.db2.gz NUBPOUCKPXJBRQ-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815068 490637185 /nfs/dbraw/zinc/63/71/85/490637185.db2.gz FOOFZCPSOMHQNA-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815068 490637189 /nfs/dbraw/zinc/63/71/89/490637189.db2.gz FOOFZCPSOMHQNA-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815068 490637197 /nfs/dbraw/zinc/63/71/97/490637197.db2.gz FOOFZCPSOMHQNA-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP COCCO[C@H]1C[C@H](CO)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848916 490647078 /nfs/dbraw/zinc/64/70/78/490647078.db2.gz HQSOZRSZAOARAS-OALUTQOASA-N 2 1 357.539 0.748 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000550264432 490649738 /nfs/dbraw/zinc/64/97/38/490649738.db2.gz BAWFFNRLDUMHPP-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP COC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564985718 491343473 /nfs/dbraw/zinc/34/34/73/491343473.db2.gz KWKAUCWOADIOBZ-CQSZACIVSA-N 2 1 374.441 0.308 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000550416731 490667106 /nfs/dbraw/zinc/66/71/06/490667106.db2.gz OGRDHEPFWWUKOB-UHFFFAOYSA-N 2 1 359.474 0.639 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000564990173 491344211 /nfs/dbraw/zinc/34/42/11/491344211.db2.gz MRGMZYCFGKDALD-SFHVURJKSA-N 3 1 353.555 0.722 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCN1CC[NH+](CC)CC1 ZINC000512363175 490677641 /nfs/dbraw/zinc/67/76/41/490677641.db2.gz PRXSGRUUHFEBSG-LJQANCHMSA-N 3 1 367.582 0.889 20 0 FCADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000512363175 490677645 /nfs/dbraw/zinc/67/76/45/490677645.db2.gz PRXSGRUUHFEBSG-LJQANCHMSA-N 3 1 367.582 0.889 20 0 FCADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000512363175 490677646 /nfs/dbraw/zinc/67/76/46/490677646.db2.gz PRXSGRUUHFEBSG-LJQANCHMSA-N 3 1 367.582 0.889 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000512389128 490678986 /nfs/dbraw/zinc/67/89/86/490678986.db2.gz GGRKSUAZXRYSMG-UXHICEINSA-N 2 1 374.529 0.938 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487012307 490687109 /nfs/dbraw/zinc/68/71/09/490687109.db2.gz AQNFHKSXGFNUNM-KFESYUHLSA-N 2 1 368.522 0.019 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487012307 490687112 /nfs/dbraw/zinc/68/71/12/490687112.db2.gz AQNFHKSXGFNUNM-KFESYUHLSA-N 2 1 368.522 0.019 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487012307 490687117 /nfs/dbraw/zinc/68/71/17/490687117.db2.gz AQNFHKSXGFNUNM-KFESYUHLSA-N 2 1 368.522 0.019 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487073962 490691479 /nfs/dbraw/zinc/69/14/79/490691479.db2.gz QNTBVSCSAWGDIT-BLONOQDTSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487073962 490691483 /nfs/dbraw/zinc/69/14/83/490691483.db2.gz QNTBVSCSAWGDIT-BLONOQDTSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487073962 490691487 /nfs/dbraw/zinc/69/14/87/490691487.db2.gz QNTBVSCSAWGDIT-BLONOQDTSA-N 2 1 364.534 0.830 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000512666941 490692469 /nfs/dbraw/zinc/69/24/69/490692469.db2.gz MYBUTJKDLLPNHE-QZTJIDSGSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512666941 490692473 /nfs/dbraw/zinc/69/24/73/490692473.db2.gz MYBUTJKDLLPNHE-QZTJIDSGSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000512666941 490692477 /nfs/dbraw/zinc/69/24/77/490692477.db2.gz MYBUTJKDLLPNHE-QZTJIDSGSA-N 2 1 367.538 0.303 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000572068459 491346979 /nfs/dbraw/zinc/34/69/79/491346979.db2.gz XYSJYKXXYDKTTD-SOUVJXGZSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000572068459 491346981 /nfs/dbraw/zinc/34/69/81/491346981.db2.gz XYSJYKXXYDKTTD-SOUVJXGZSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000572068459 491346984 /nfs/dbraw/zinc/34/69/84/491346984.db2.gz XYSJYKXXYDKTTD-SOUVJXGZSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168942 490699844 /nfs/dbraw/zinc/69/98/44/490699844.db2.gz WRYFIMVIGIQNJD-BBRMVZONSA-N 2 1 368.503 0.663 20 0 FCADMP CN(C(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000512851478 490701967 /nfs/dbraw/zinc/70/19/67/490701967.db2.gz JPXQRCVYYBRBOR-GOSISDBHSA-N 2 1 367.538 0.255 20 0 FCADMP CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512851478 490701969 /nfs/dbraw/zinc/70/19/69/490701969.db2.gz JPXQRCVYYBRBOR-GOSISDBHSA-N 2 1 367.538 0.255 20 0 FCADMP CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000512851478 490701972 /nfs/dbraw/zinc/70/19/72/490701972.db2.gz JPXQRCVYYBRBOR-GOSISDBHSA-N 2 1 367.538 0.255 20 0 FCADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419537 490704074 /nfs/dbraw/zinc/70/40/74/490704074.db2.gz OMPNFHCUUOJUPV-PJVZLEMVSA-N 2 1 355.523 0.642 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572103562 491348783 /nfs/dbraw/zinc/34/87/83/491348783.db2.gz NUUFEIMKTVUVEC-RDJZCZTQSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572103562 491348785 /nfs/dbraw/zinc/34/87/85/491348785.db2.gz NUUFEIMKTVUVEC-RDJZCZTQSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(CN1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCC1 ZINC000538263096 490722976 /nfs/dbraw/zinc/72/29/76/490722976.db2.gz OFHGPUQSGTUZLZ-HDICACEKSA-N 2 1 350.507 0.480 20 0 FCADMP C[C@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000572121807 491350064 /nfs/dbraw/zinc/35/00/64/491350064.db2.gz FRJIMEXSACPVBR-IBGZPJMESA-N 2 1 366.506 0.063 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)O1 ZINC000527548207 490735427 /nfs/dbraw/zinc/73/54/27/490735427.db2.gz BVOGGKZJRAHCRN-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)O1 ZINC000527548207 490735430 /nfs/dbraw/zinc/73/54/30/490735430.db2.gz BVOGGKZJRAHCRN-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000503262667 490747577 /nfs/dbraw/zinc/74/75/77/490747577.db2.gz SBGWOZXHCPEBCH-SJORKVTESA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000503262667 490747580 /nfs/dbraw/zinc/74/75/80/490747580.db2.gz SBGWOZXHCPEBCH-SJORKVTESA-N 2 1 365.522 0.903 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@]3(CO)COc4ccccc4C3)cn2)CC1 ZINC000527769550 490758751 /nfs/dbraw/zinc/75/87/51/490758751.db2.gz QZXDFPBRJSOKNF-FQEVSTJZSA-N 2 1 369.469 0.684 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000557090453 491352886 /nfs/dbraw/zinc/35/28/86/491352886.db2.gz MLTMSHNICCQFEP-KRWDZBQOSA-N 2 1 352.523 0.929 20 0 FCADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1CCN1CCOCC1 ZINC000539082089 490762844 /nfs/dbraw/zinc/76/28/44/490762844.db2.gz JQHYBUUKTHYCLC-SFHVURJKSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000572068458 491346739 /nfs/dbraw/zinc/34/67/39/491346739.db2.gz XYSJYKXXYDKTTD-RRFJBIMHSA-N 2 1 354.495 0.201 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000514141412 490763791 /nfs/dbraw/zinc/76/37/91/490763791.db2.gz FBQMFJKTCCRKPO-LSDHHAIUSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000514141412 490763793 /nfs/dbraw/zinc/76/37/93/490763793.db2.gz FBQMFJKTCCRKPO-LSDHHAIUSA-N 2 1 353.511 0.616 20 0 FCADMP COC(=O)CCN1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320957 490776735 /nfs/dbraw/zinc/77/67/35/490776735.db2.gz XCMXTTJPYVUTOM-WCXIOVBPSA-N 2 1 357.495 0.026 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731132 490837923 /nfs/dbraw/zinc/83/79/23/490837923.db2.gz HVOYBFGNEFKJBA-OAHLLOKOSA-N 2 1 367.494 0.193 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557241730 491361113 /nfs/dbraw/zinc/36/11/13/491361113.db2.gz CBYMODBNZRMNIX-LJQANCHMSA-N 2 1 374.533 0.354 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224461 491361303 /nfs/dbraw/zinc/36/13/03/491361303.db2.gz JENATBPKJNDRCU-VQIMIIECSA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000565224461 491361305 /nfs/dbraw/zinc/36/13/05/491361305.db2.gz JENATBPKJNDRCU-VQIMIIECSA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000565224461 491361306 /nfs/dbraw/zinc/36/13/06/491361306.db2.gz JENATBPKJNDRCU-VQIMIIECSA-N 2 1 360.458 0.496 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529293092 490847974 /nfs/dbraw/zinc/84/79/74/490847974.db2.gz NFPAQFYVOSKTPV-HNNXBMFYSA-N 2 1 351.495 0.561 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529309048 490849611 /nfs/dbraw/zinc/84/96/11/490849611.db2.gz YHAJKTVUQRHQEV-DLBZAZTESA-N 2 1 353.511 0.032 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000516213365 490857290 /nfs/dbraw/zinc/85/72/90/490857290.db2.gz RLHDPTJTFIVDRN-RDJZCZTQSA-N 2 1 371.485 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000516213365 490857292 /nfs/dbraw/zinc/85/72/92/490857292.db2.gz RLHDPTJTFIVDRN-RDJZCZTQSA-N 2 1 371.485 0.638 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)NCc2ccco2)CC1 ZINC000516207649 490857443 /nfs/dbraw/zinc/85/74/43/490857443.db2.gz MSXVIUYIFCIKLX-UHFFFAOYSA-N 2 1 372.429 0.864 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000529377338 490857887 /nfs/dbraw/zinc/85/78/87/490857887.db2.gz VDYLOJMGHQZWLK-KSZLIROESA-N 2 1 362.474 0.157 20 0 FCADMP COCC(COC)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000516913833 490884457 /nfs/dbraw/zinc/88/44/57/490884457.db2.gz UPHYLAFRWZUGEY-INIZCTEOSA-N 2 1 356.511 0.705 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000516913833 490884458 /nfs/dbraw/zinc/88/44/58/490884458.db2.gz UPHYLAFRWZUGEY-INIZCTEOSA-N 2 1 356.511 0.705 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000516913833 490884460 /nfs/dbraw/zinc/88/44/60/490884460.db2.gz UPHYLAFRWZUGEY-INIZCTEOSA-N 2 1 356.511 0.705 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000530249723 490895277 /nfs/dbraw/zinc/89/52/77/490895277.db2.gz YCHVSMAXJVAGQW-LJQANCHMSA-N 3 1 374.533 0.819 20 0 FCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000517366226 490905632 /nfs/dbraw/zinc/90/56/32/490905632.db2.gz YSUYSIGJDCNKIV-CRAIPNDOSA-N 2 1 374.485 0.962 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000517367419 490905961 /nfs/dbraw/zinc/90/59/61/490905961.db2.gz KUOASYNLKUUJDU-OAHLLOKOSA-N 2 1 351.499 0.020 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000517367411 490906166 /nfs/dbraw/zinc/90/61/66/490906166.db2.gz KUOASYNLKUUJDU-HNNXBMFYSA-N 2 1 351.499 0.020 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000517596299 490914104 /nfs/dbraw/zinc/91/41/04/490914104.db2.gz RPKGLGPDGBJILK-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000517596299 490914107 /nfs/dbraw/zinc/91/41/07/490914107.db2.gz RPKGLGPDGBJILK-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000517821309 490922539 /nfs/dbraw/zinc/92/25/39/490922539.db2.gz RRQUPTKONPAECT-HOTGVXAUSA-N 2 1 353.511 0.761 20 0 FCADMP COCC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530809469 490926249 /nfs/dbraw/zinc/92/62/49/490926249.db2.gz CFYKKUSDBGDPTF-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000530881011 490929848 /nfs/dbraw/zinc/92/98/48/490929848.db2.gz URZQBMUHTAXYSB-UHFFFAOYSA-N 2 1 374.489 0.635 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000518290725 490936211 /nfs/dbraw/zinc/93/62/11/490936211.db2.gz OEQOIJQAWLHAQH-OAHLLOKOSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292214 491365450 /nfs/dbraw/zinc/36/54/50/491365450.db2.gz DTQMGNGYLCEXOO-YJBOKZPZSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292214 491365451 /nfs/dbraw/zinc/36/54/51/491365451.db2.gz DTQMGNGYLCEXOO-YJBOKZPZSA-N 2 1 374.485 0.260 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054880 490938358 /nfs/dbraw/zinc/93/83/58/490938358.db2.gz XFQKTRZHEQWUNN-XLIONFOSSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531054880 490938360 /nfs/dbraw/zinc/93/83/60/490938360.db2.gz XFQKTRZHEQWUNN-XLIONFOSSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531054880 490938361 /nfs/dbraw/zinc/93/83/61/490938361.db2.gz XFQKTRZHEQWUNN-XLIONFOSSA-N 2 1 374.485 0.079 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000518443097 490941828 /nfs/dbraw/zinc/94/18/28/490941828.db2.gz FRNZZYAQVXLOCC-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000518443097 490941831 /nfs/dbraw/zinc/94/18/31/490941831.db2.gz FRNZZYAQVXLOCC-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000518443097 490941834 /nfs/dbraw/zinc/94/18/34/490941834.db2.gz FRNZZYAQVXLOCC-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000565253880 491365754 /nfs/dbraw/zinc/36/57/54/491365754.db2.gz KLTIVABAYLTWBD-RBSFLKMASA-N 2 1 351.495 0.450 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3C[NH2+]CCN3C)CC2)cc1 ZINC000572374663 491365787 /nfs/dbraw/zinc/36/57/87/491365787.db2.gz NDPLXAJEWVJBEO-QGZVFWFLSA-N 2 1 366.531 0.641 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252967 491365876 /nfs/dbraw/zinc/36/58/76/491365876.db2.gz FZXVTQIFIYOGPQ-OIISXLGYSA-N 2 1 359.474 0.460 20 0 FCADMP O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531298768 490950829 /nfs/dbraw/zinc/95/08/29/490950829.db2.gz LICCNVSDTNEZAO-CTNGQTDRSA-N 2 1 373.497 0.804 20 0 FCADMP CNC(=O)CN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000518814435 490952682 /nfs/dbraw/zinc/95/26/82/490952682.db2.gz FHPNPEKPZSWXCI-KRWDZBQOSA-N 2 1 373.501 0.620 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000518814435 490952685 /nfs/dbraw/zinc/95/26/85/490952685.db2.gz FHPNPEKPZSWXCI-KRWDZBQOSA-N 2 1 373.501 0.620 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000565255356 491366684 /nfs/dbraw/zinc/36/66/84/491366684.db2.gz RRZGZGMFZMQXHO-IRXDYDNUSA-N 2 1 359.474 0.592 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000519587355 490977958 /nfs/dbraw/zinc/97/79/58/490977958.db2.gz LONCKANIWOEGNH-KRWDZBQOSA-N 2 1 371.485 0.735 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532027686 490983675 /nfs/dbraw/zinc/98/36/75/490983675.db2.gz GEHUQGLYSZYTOV-QZTJIDSGSA-N 2 1 368.522 0.728 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554042688 491172480 /nfs/dbraw/zinc/17/24/80/491172480.db2.gz BYWRBUIBDSJSTC-CAOSSQGBSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554042688 491172483 /nfs/dbraw/zinc/17/24/83/491172483.db2.gz BYWRBUIBDSJSTC-CAOSSQGBSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554042688 491172486 /nfs/dbraw/zinc/17/24/86/491172486.db2.gz BYWRBUIBDSJSTC-CAOSSQGBSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000569706394 491183798 /nfs/dbraw/zinc/18/37/98/491183798.db2.gz NUWJQJSPIXNZQD-OAGGEKHMSA-N 2 1 352.479 0.038 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000572467622 491372018 /nfs/dbraw/zinc/37/20/18/491372018.db2.gz RPRWHMDLYMAYHI-UHFFFAOYSA-N 2 1 350.507 0.991 20 0 FCADMP C[C@H]1C[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000565432232 491376208 /nfs/dbraw/zinc/37/62/08/491376208.db2.gz QNQUUHDNZAPUAC-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(=O)N(CCOC)C3)CC2)CC1 ZINC000565492430 491380520 /nfs/dbraw/zinc/38/05/20/491380520.db2.gz LCBRIIOLUMFXEX-UHFFFAOYSA-N 2 1 366.506 0.457 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565199 491383736 /nfs/dbraw/zinc/38/37/36/491383736.db2.gz XEOQMTIENWIZDC-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@H+](C)C1CC1 ZINC000557565199 491383737 /nfs/dbraw/zinc/38/37/37/491383737.db2.gz XEOQMTIENWIZDC-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)C1CC1 ZINC000557565199 491383738 /nfs/dbraw/zinc/38/37/38/491383738.db2.gz XEOQMTIENWIZDC-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000660280927 493339179 /nfs/dbraw/zinc/33/91/79/493339179.db2.gz KQONFYXAHWAAIP-JKSUJKDBSA-N 2 1 361.490 0.703 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355903 493339345 /nfs/dbraw/zinc/33/93/45/493339345.db2.gz FCKMZIUESDXLEF-ZIAGYGMSSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355903 493339348 /nfs/dbraw/zinc/33/93/48/493339348.db2.gz FCKMZIUESDXLEF-ZIAGYGMSSA-N 2 1 350.463 0.988 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000557766267 491396869 /nfs/dbraw/zinc/39/68/69/491396869.db2.gz CADNHJDUHJBHGP-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000557766267 491396870 /nfs/dbraw/zinc/39/68/70/491396870.db2.gz CADNHJDUHJBHGP-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000557766267 491396871 /nfs/dbraw/zinc/39/68/71/491396871.db2.gz CADNHJDUHJBHGP-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000565765017 491398250 /nfs/dbraw/zinc/39/82/50/491398250.db2.gz DRUMPDGSFZZIQY-UHFFFAOYSA-N 2 1 368.522 0.642 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000565782470 491399251 /nfs/dbraw/zinc/39/92/51/491399251.db2.gz IEPJMHUWGSOOOG-UHFFFAOYSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904867 491404392 /nfs/dbraw/zinc/40/43/92/491404392.db2.gz JDEKQANPOUMASC-ZBFHGGJFSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557958422 491406616 /nfs/dbraw/zinc/40/66/16/491406616.db2.gz PLHCMKPPNOCYFY-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557958422 491406619 /nfs/dbraw/zinc/40/66/19/491406619.db2.gz PLHCMKPPNOCYFY-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000557958422 491406621 /nfs/dbraw/zinc/40/66/21/491406621.db2.gz PLHCMKPPNOCYFY-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000557958422 491406623 /nfs/dbraw/zinc/40/66/23/491406623.db2.gz PLHCMKPPNOCYFY-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP Cc1nc(COc2ccc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)no1 ZINC000573021553 491407813 /nfs/dbraw/zinc/40/78/13/491407813.db2.gz CVACXWIKMAUHOJ-HOCLYGCPSA-N 2 1 357.414 0.701 20 0 FCADMP Cc1nc(COc2ccc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)no1 ZINC000573021553 491407815 /nfs/dbraw/zinc/40/78/15/491407815.db2.gz CVACXWIKMAUHOJ-HOCLYGCPSA-N 2 1 357.414 0.701 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000558007567 491408498 /nfs/dbraw/zinc/40/84/98/491408498.db2.gz VMNSCNPNWMLDAA-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000558007567 491408499 /nfs/dbraw/zinc/40/84/99/491408499.db2.gz VMNSCNPNWMLDAA-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000558007567 491408501 /nfs/dbraw/zinc/40/85/01/491408501.db2.gz VMNSCNPNWMLDAA-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209460 491419558 /nfs/dbraw/zinc/41/95/58/491419558.db2.gz OHVUBKFLHKFVLH-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209460 491419559 /nfs/dbraw/zinc/41/95/59/491419559.db2.gz OHVUBKFLHKFVLH-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209460 491419560 /nfs/dbraw/zinc/41/95/60/491419560.db2.gz OHVUBKFLHKFVLH-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000566171385 491422333 /nfs/dbraw/zinc/42/23/33/491422333.db2.gz DEZYDEJIZSEQRC-KRWDZBQOSA-N 2 1 362.449 0.728 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000566171385 491422335 /nfs/dbraw/zinc/42/23/35/491422335.db2.gz DEZYDEJIZSEQRC-KRWDZBQOSA-N 2 1 362.449 0.728 20 0 FCADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000566180283 491423400 /nfs/dbraw/zinc/42/34/00/491423400.db2.gz APNZADNHBNSLIO-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000566236657 491428800 /nfs/dbraw/zinc/42/88/00/491428800.db2.gz HXYLNEWKTNVICD-LZWOXQAQSA-N 2 1 356.511 0.482 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373080 493342564 /nfs/dbraw/zinc/34/25/64/493342564.db2.gz YBKLACKYESBEIP-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668373080 493342565 /nfs/dbraw/zinc/34/25/65/493342565.db2.gz YBKLACKYESBEIP-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668373080 493342567 /nfs/dbraw/zinc/34/25/67/493342567.db2.gz YBKLACKYESBEIP-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+]CC1(O)CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000566301341 491434031 /nfs/dbraw/zinc/43/40/31/491434031.db2.gz XAHYJUQBPJQFPD-UHFFFAOYSA-N 2 1 357.458 0.333 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000566304317 491434099 /nfs/dbraw/zinc/43/40/99/491434099.db2.gz XHGKJBRVHRHPED-IXDOHACOSA-N 2 1 358.490 0.575 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000573451396 491434142 /nfs/dbraw/zinc/43/41/42/491434142.db2.gz SPZNZXVKFQDVOR-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CC[C@H]1CN(C)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000573451396 491434144 /nfs/dbraw/zinc/43/41/44/491434144.db2.gz SPZNZXVKFQDVOR-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000566418736 491442119 /nfs/dbraw/zinc/44/21/19/491442119.db2.gz IUJLXYZIYRQONR-HXUWFJFHSA-N 2 1 374.485 0.310 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566432784 491443300 /nfs/dbraw/zinc/44/33/00/491443300.db2.gz IWSKSYXHIIDLCT-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566432784 491443303 /nfs/dbraw/zinc/44/33/03/491443303.db2.gz IWSKSYXHIIDLCT-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nc(N(C)C)no3)CC2)CC1 ZINC000566450957 491444570 /nfs/dbraw/zinc/44/45/70/491444570.db2.gz NAFNVSOYODIJKY-UHFFFAOYSA-N 2 1 364.494 0.948 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508775 491449853 /nfs/dbraw/zinc/44/98/53/491449853.db2.gz ZCXDWKPLRVINEC-BRWVUGGUSA-N 2 1 357.458 0.214 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000559292114 491462341 /nfs/dbraw/zinc/46/23/41/491462341.db2.gz ITYPWQPMRVNEBQ-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000559292114 491462344 /nfs/dbraw/zinc/46/23/44/491462344.db2.gz ITYPWQPMRVNEBQ-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000559292114 491462346 /nfs/dbraw/zinc/46/23/46/491462346.db2.gz ITYPWQPMRVNEBQ-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000559384230 491469627 /nfs/dbraw/zinc/46/96/27/491469627.db2.gz RCOPNYAXMZFPPC-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP COC[C@@]1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000574036603 491470446 /nfs/dbraw/zinc/47/04/46/491470446.db2.gz RWRQHZYBDKOWRI-OAQYLSRUSA-N 2 1 374.529 0.937 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000574107557 491474965 /nfs/dbraw/zinc/47/49/65/491474965.db2.gz IPLROLIJSKMEGC-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000574107557 491474968 /nfs/dbraw/zinc/47/49/68/491474968.db2.gz IPLROLIJSKMEGC-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000574107557 491474969 /nfs/dbraw/zinc/47/49/69/491474969.db2.gz IPLROLIJSKMEGC-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000559563233 491481780 /nfs/dbraw/zinc/48/17/80/491481780.db2.gz HHZHIQGOIUYUGZ-HNNXBMFYSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559589494 491483087 /nfs/dbraw/zinc/48/30/87/491483087.db2.gz WTDYXEHRORADQW-CQSZACIVSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559589494 491483089 /nfs/dbraw/zinc/48/30/89/491483089.db2.gz WTDYXEHRORADQW-CQSZACIVSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390210 493345716 /nfs/dbraw/zinc/34/57/16/493345716.db2.gz NRWPPIXIEHOIDV-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000668390210 493345719 /nfs/dbraw/zinc/34/57/19/493345719.db2.gz NRWPPIXIEHOIDV-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000668390210 493345723 /nfs/dbraw/zinc/34/57/23/493345723.db2.gz NRWPPIXIEHOIDV-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP [NH3+]CCC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000574331623 491489700 /nfs/dbraw/zinc/48/97/00/491489700.db2.gz HLGDBEFYQBLFKT-UHFFFAOYSA-N 2 1 354.495 0.638 20 0 FCADMP O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307481 491498781 /nfs/dbraw/zinc/49/87/81/491498781.db2.gz IIMCFQOFMLHKJM-MOPGFXCFSA-N 2 1 361.486 0.574 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307481 491498782 /nfs/dbraw/zinc/49/87/82/491498782.db2.gz IIMCFQOFMLHKJM-MOPGFXCFSA-N 2 1 361.486 0.574 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000559867250 491506084 /nfs/dbraw/zinc/50/60/84/491506084.db2.gz FVVDNOBOPOOYNH-YJBOKZPZSA-N 2 1 368.547 0.673 20 0 FCADMP C[C@H](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488050 491509376 /nfs/dbraw/zinc/50/93/76/491509376.db2.gz DNCJJRASMHPVFF-BPQIPLTHSA-N 2 1 373.501 0.850 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574666352 491511750 /nfs/dbraw/zinc/51/17/50/491511750.db2.gz CKFMNHRSCHMOBI-HKUYNNGSSA-N 2 1 374.533 0.400 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCC(C)CC1 ZINC000560027504 491516473 /nfs/dbraw/zinc/51/64/73/491516473.db2.gz HLSVQNJPDSFNIF-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000567625588 491518778 /nfs/dbraw/zinc/51/87/78/491518778.db2.gz DKMNYFKXOUKJEX-JKSUJKDBSA-N 2 1 361.490 0.989 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000567625588 491518779 /nfs/dbraw/zinc/51/87/79/491518779.db2.gz DKMNYFKXOUKJEX-JKSUJKDBSA-N 2 1 361.490 0.989 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574808882 491521567 /nfs/dbraw/zinc/52/15/67/491521567.db2.gz ICBIZVMLDKRAHW-RTBURBONSA-N 2 1 357.502 0.800 20 0 FCADMP COCCOC[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000567677513 491522742 /nfs/dbraw/zinc/52/27/42/491522742.db2.gz ZVGTYFNVSVBRDE-SFHVURJKSA-N 2 1 365.474 0.188 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1)N1CC[NH2+]CC1 ZINC000574988509 491532230 /nfs/dbraw/zinc/53/22/30/491532230.db2.gz ASCLVEQWDHDZTH-QGZVFWFLSA-N 2 1 358.490 0.721 20 0 FCADMP COC[C@@]1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCC[NH2+]1 ZINC000567872114 491536446 /nfs/dbraw/zinc/53/64/46/491536446.db2.gz HWQVEDBEARSSNF-QAPCUYQASA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000575108638 491539681 /nfs/dbraw/zinc/53/96/81/491539681.db2.gz WMLMEFVZGAXTGI-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000567928244 491541979 /nfs/dbraw/zinc/54/19/79/491541979.db2.gz JLACXLJWSDZFPR-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884326 491561429 /nfs/dbraw/zinc/56/14/29/491561429.db2.gz MGRUPERXTNRQSJ-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884326 491561431 /nfs/dbraw/zinc/56/14/31/491561431.db2.gz MGRUPERXTNRQSJ-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000575812826 491562806 /nfs/dbraw/zinc/56/28/06/491562806.db2.gz SLLJVTWDXHXFEJ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000561121472 491576287 /nfs/dbraw/zinc/57/62/87/491576287.db2.gz MYDLNUBLDIHZLX-WBVHZDCISA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561121472 491576289 /nfs/dbraw/zinc/57/62/89/491576289.db2.gz MYDLNUBLDIHZLX-WBVHZDCISA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561121472 491576291 /nfs/dbraw/zinc/57/62/91/491576291.db2.gz MYDLNUBLDIHZLX-WBVHZDCISA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@@H+]1CCc2nc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)sc2C1 ZINC000576035159 491577294 /nfs/dbraw/zinc/57/72/94/491577294.db2.gz DUICICCPMGCVHU-LBPRGKRZSA-N 2 1 351.476 0.718 20 0 FCADMP CC[N@H+]1CCc2nc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)sc2C1 ZINC000576035159 491577296 /nfs/dbraw/zinc/57/72/96/491577296.db2.gz DUICICCPMGCVHU-LBPRGKRZSA-N 2 1 351.476 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561148423 491578746 /nfs/dbraw/zinc/57/87/46/491578746.db2.gz YTJBQJJMAKPMPQ-RTBURBONSA-N 2 1 357.502 0.950 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584411772 491588710 /nfs/dbraw/zinc/58/87/10/491588710.db2.gz QLYNFHMCRMQHHO-NOXHYTERSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584411772 491588713 /nfs/dbraw/zinc/58/87/13/491588713.db2.gz QLYNFHMCRMQHHO-NOXHYTERSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584411771 491589008 /nfs/dbraw/zinc/58/90/08/491589008.db2.gz QLYNFHMCRMQHHO-KOZAUXTDSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584411771 491589013 /nfs/dbraw/zinc/58/90/13/491589013.db2.gz QLYNFHMCRMQHHO-KOZAUXTDSA-N 2 1 366.487 0.720 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000577108823 491590941 /nfs/dbraw/zinc/59/09/41/491590941.db2.gz AVJHUNMMZKDQBQ-OAHLLOKOSA-N 2 1 357.458 0.716 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000577108823 491590945 /nfs/dbraw/zinc/59/09/45/491590945.db2.gz AVJHUNMMZKDQBQ-OAHLLOKOSA-N 2 1 357.458 0.716 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000568610191 491591215 /nfs/dbraw/zinc/59/12/15/491591215.db2.gz QEONTCWXEBSTHU-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000584496528 491597816 /nfs/dbraw/zinc/59/78/16/491597816.db2.gz HSNFNYJXSYUNMH-HOTGVXAUSA-N 2 1 350.507 0.943 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000568729022 491604290 /nfs/dbraw/zinc/60/42/90/491604290.db2.gz RRQHCRNWGQAVQL-WBVHZDCISA-N 2 1 374.485 0.721 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000568729022 491604291 /nfs/dbraw/zinc/60/42/91/491604291.db2.gz RRQHCRNWGQAVQL-WBVHZDCISA-N 2 1 374.485 0.721 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000576415687 491613469 /nfs/dbraw/zinc/61/34/69/491613469.db2.gz MWJQLWGXZYLJLT-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000576415687 491613473 /nfs/dbraw/zinc/61/34/73/491613473.db2.gz MWJQLWGXZYLJLT-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577355546 491614772 /nfs/dbraw/zinc/61/47/72/491614772.db2.gz BZFDJUSXNFMKDH-AEFFLSMTSA-N 2 1 371.485 0.479 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCNC(=O)N(C)C)CC2)CC1 ZINC000568999770 491626071 /nfs/dbraw/zinc/62/60/71/491626071.db2.gz FMXIIBIKPQHLJK-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594369 491627985 /nfs/dbraw/zinc/62/79/85/491627985.db2.gz UONFWZCZYGYZAL-LJQANCHMSA-N 2 1 356.555 0.416 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000569049135 491630138 /nfs/dbraw/zinc/63/01/38/491630138.db2.gz YDXYKDCLFMDDNT-IRXDYDNUSA-N 2 1 366.506 0.081 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCCO1 ZINC000577533886 491630249 /nfs/dbraw/zinc/63/02/49/491630249.db2.gz LDBMODIFOSYLSD-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCCO1 ZINC000577533885 491630453 /nfs/dbraw/zinc/63/04/53/491630453.db2.gz LDBMODIFOSYLSD-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)CC1 ZINC000561792263 491630735 /nfs/dbraw/zinc/63/07/35/491630735.db2.gz DMONJDHGMMXFSC-XOYOTBSWSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562969 491632864 /nfs/dbraw/zinc/63/28/64/491632864.db2.gz YPQHYTMRMSVGBP-PBHICJAKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CCO[C@@H]3C)CC2)CC1 ZINC000576715791 491638718 /nfs/dbraw/zinc/63/87/18/491638718.db2.gz OQPKEMURSIVDFM-BEFAXECRSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000577672584 491642109 /nfs/dbraw/zinc/64/21/09/491642109.db2.gz XQKPTHMNPIOANN-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000577672584 491642113 /nfs/dbraw/zinc/64/21/13/491642113.db2.gz XQKPTHMNPIOANN-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000577672584 491642115 /nfs/dbraw/zinc/64/21/15/491642115.db2.gz XQKPTHMNPIOANN-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000569334077 491653268 /nfs/dbraw/zinc/65/32/68/491653268.db2.gz WPSNUBXPBSTVFV-OAHLLOKOSA-N 2 1 351.495 0.324 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411425 491659504 /nfs/dbraw/zinc/65/95/04/491659504.db2.gz IEJLSNPGIROKAE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000569411425 491659507 /nfs/dbraw/zinc/65/95/07/491659507.db2.gz IEJLSNPGIROKAE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000569411425 491659508 /nfs/dbraw/zinc/65/95/08/491659508.db2.gz IEJLSNPGIROKAE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965460 491660850 /nfs/dbraw/zinc/66/08/50/491660850.db2.gz GTTDZWSHOHLOTP-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965460 491660852 /nfs/dbraw/zinc/66/08/52/491660852.db2.gz GTTDZWSHOHLOTP-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP O=C(CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)N1CC[NH2+]CC1 ZINC000576989216 491662758 /nfs/dbraw/zinc/66/27/58/491662758.db2.gz VHKFZSCTAYRKQV-INIZCTEOSA-N 2 1 372.535 0.135 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217242 491672310 /nfs/dbraw/zinc/67/23/10/491672310.db2.gz LFCGQMGOOXVPRZ-HKUYNNGSSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217242 491672311 /nfs/dbraw/zinc/67/23/11/491672311.db2.gz LFCGQMGOOXVPRZ-HKUYNNGSSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CCN(c3cnccn3)CC1)CC[NH2+]CC2 ZINC000578231600 491672783 /nfs/dbraw/zinc/67/27/83/491672783.db2.gz PVULZSOQNMREQL-INIZCTEOSA-N 2 1 358.490 0.589 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000578253681 491673473 /nfs/dbraw/zinc/67/34/73/491673473.db2.gz MJHDOOPCBLZNMX-SJORKVTESA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000578253681 491673474 /nfs/dbraw/zinc/67/34/74/491673474.db2.gz MJHDOOPCBLZNMX-SJORKVTESA-N 2 1 368.522 0.261 20 0 FCADMP COCC1(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000578306541 491674216 /nfs/dbraw/zinc/67/42/16/491674216.db2.gz PXGYJYAHVSJLQA-SJORKVTESA-N 2 1 368.522 0.945 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000578393989 491676313 /nfs/dbraw/zinc/67/63/13/491676313.db2.gz ZMFMDICJSOUROK-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000578393989 491676314 /nfs/dbraw/zinc/67/63/14/491676314.db2.gz ZMFMDICJSOUROK-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)CC2 ZINC000578633362 491681370 /nfs/dbraw/zinc/68/13/70/491681370.db2.gz LMGDRTIDUVDBSR-RDJZCZTQSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000578633362 491681371 /nfs/dbraw/zinc/68/13/71/491681371.db2.gz LMGDRTIDUVDBSR-RDJZCZTQSA-N 2 1 359.474 0.519 20 0 FCADMP COCCCn1nccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000579109652 491691163 /nfs/dbraw/zinc/69/11/63/491691163.db2.gz WIMJLHZBIHWXLK-WMZOPIPTSA-N 2 1 363.506 1.000 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000579267217 491694406 /nfs/dbraw/zinc/69/44/06/491694406.db2.gz BGVLCVDQOQPQQH-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000579267217 491694407 /nfs/dbraw/zinc/69/44/07/491694407.db2.gz BGVLCVDQOQPQQH-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)CC2)cc1 ZINC000579293716 491694866 /nfs/dbraw/zinc/69/48/66/491694866.db2.gz SNMXZVXVAWYALV-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)CC2)cc1 ZINC000579293716 491694867 /nfs/dbraw/zinc/69/48/67/491694867.db2.gz SNMXZVXVAWYALV-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCO)C[C@@H](C)O)CC2)cc1 ZINC000579293716 491694868 /nfs/dbraw/zinc/69/48/68/491694868.db2.gz SNMXZVXVAWYALV-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCO)C[C@@H](C)O)CC2)cc1 ZINC000579293716 491694869 /nfs/dbraw/zinc/69/48/69/491694869.db2.gz SNMXZVXVAWYALV-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@@H+]1CCOC ZINC000579365701 491696531 /nfs/dbraw/zinc/69/65/31/491696531.db2.gz NTBZURQPRAJSPT-QGZVFWFLSA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@H+]1CCOC ZINC000579365701 491696532 /nfs/dbraw/zinc/69/65/32/491696532.db2.gz NTBZURQPRAJSPT-QGZVFWFLSA-N 2 1 368.522 0.533 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000579387001 491697096 /nfs/dbraw/zinc/69/70/96/491697096.db2.gz ZKBYOKYUGXXPOY-UHFFFAOYSA-N 2 1 361.490 0.887 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000579387001 491697097 /nfs/dbraw/zinc/69/70/97/491697097.db2.gz ZKBYOKYUGXXPOY-UHFFFAOYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCCCC1 ZINC000579394441 491697212 /nfs/dbraw/zinc/69/72/12/491697212.db2.gz NJMUZJLEMOAVSE-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000579593614 491701194 /nfs/dbraw/zinc/70/11/94/491701194.db2.gz WTUKKQGCVDTWJM-AWEZNQCLSA-N 2 1 366.487 0.594 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000579684095 491702849 /nfs/dbraw/zinc/70/28/49/491702849.db2.gz PJDVXCJALDTMDO-HRCADAONSA-N 2 1 361.490 0.845 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCSC1 ZINC000580031356 491714191 /nfs/dbraw/zinc/71/41/91/491714191.db2.gz GSYCPYOMEBVMFK-KRWDZBQOSA-N 2 1 357.568 0.749 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000584781366 491714266 /nfs/dbraw/zinc/71/42/66/491714266.db2.gz LYJCTPZDLRFISZ-LZLYRXPVSA-N 2 1 360.502 0.909 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000580062309 491715265 /nfs/dbraw/zinc/71/52/65/491715265.db2.gz DOAWSAKRIVZLTL-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000584829546 491716400 /nfs/dbraw/zinc/71/64/00/491716400.db2.gz YPNHZJSVAXAUSI-MRXNPFEDSA-N 2 1 362.474 0.530 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000580197168 491721314 /nfs/dbraw/zinc/72/13/14/491721314.db2.gz SMIDTVJNUJOATD-INIZCTEOSA-N 2 1 364.494 0.776 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000580197168 491721316 /nfs/dbraw/zinc/72/13/16/491721316.db2.gz SMIDTVJNUJOATD-INIZCTEOSA-N 2 1 364.494 0.776 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000580319922 491726135 /nfs/dbraw/zinc/72/61/35/491726135.db2.gz FFONEBLXMBAPMZ-MRXNPFEDSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580414416 491730257 /nfs/dbraw/zinc/73/02/57/491730257.db2.gz SSQMIMDIULFRAF-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)CCC(F)(F)F ZINC000580441592 491731444 /nfs/dbraw/zinc/73/14/44/491731444.db2.gz BQZDZQKSBWJEMZ-UHFFFAOYSA-N 2 1 366.428 0.964 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)CCC(F)(F)F ZINC000580441592 491731445 /nfs/dbraw/zinc/73/14/45/491731445.db2.gz BQZDZQKSBWJEMZ-UHFFFAOYSA-N 2 1 366.428 0.964 20 0 FCADMP C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000580631975 491739369 /nfs/dbraw/zinc/73/93/69/491739369.db2.gz HSGMDPBVZYBYFS-JSGCOSHPSA-N 2 1 363.428 0.772 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cs1 ZINC000580717737 491742946 /nfs/dbraw/zinc/74/29/46/491742946.db2.gz HYWSCCBLRHEQGM-MRXNPFEDSA-N 2 1 351.520 0.683 20 0 FCADMP O=S(=O)(C[C@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000580824979 491747453 /nfs/dbraw/zinc/74/74/53/491747453.db2.gz HJGNZMLJXAWNEB-INIZCTEOSA-N 2 1 368.503 0.550 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882632 491750025 /nfs/dbraw/zinc/75/00/25/491750025.db2.gz GFAJBRMXPCQVMT-KWCYVHTRSA-N 2 1 363.428 0.604 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC000581122437 491760251 /nfs/dbraw/zinc/76/02/51/491760251.db2.gz NDWFFTSLLSDGQJ-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000581201682 491763919 /nfs/dbraw/zinc/76/39/19/491763919.db2.gz DVQROWRNPAALTQ-XHSDSOJGSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000581201682 491763920 /nfs/dbraw/zinc/76/39/20/491763920.db2.gz DVQROWRNPAALTQ-XHSDSOJGSA-N 2 1 354.495 0.648 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000581245469 491765760 /nfs/dbraw/zinc/76/57/60/491765760.db2.gz ZIUCJJGXIGYKHP-HZPDHXFCSA-N 2 1 372.469 0.828 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000581445863 491773248 /nfs/dbraw/zinc/77/32/48/491773248.db2.gz SKFRLFUVDZPBOW-HUUCEWRRSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CCCO1 ZINC000581450052 491773822 /nfs/dbraw/zinc/77/38/22/491773822.db2.gz QWURERRGDAASAU-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCCO1 ZINC000581450052 491773824 /nfs/dbraw/zinc/77/38/24/491773824.db2.gz QWURERRGDAASAU-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCCO1 ZINC000581450052 491773826 /nfs/dbraw/zinc/77/38/26/491773826.db2.gz QWURERRGDAASAU-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581500303 491775284 /nfs/dbraw/zinc/77/52/84/491775284.db2.gz MXOUUOGRAIWUSN-OALUTQOASA-N 2 1 372.513 0.878 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585260 493363895 /nfs/dbraw/zinc/36/38/95/493363895.db2.gz PHEFXHWJJNDHDP-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000591586852 491809738 /nfs/dbraw/zinc/80/97/38/491809738.db2.gz PFMWSRGGEPBAND-HOCLYGCPSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000591586852 491809739 /nfs/dbraw/zinc/80/97/39/491809739.db2.gz PFMWSRGGEPBAND-HOCLYGCPSA-N 2 1 353.511 0.711 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000582414633 491811344 /nfs/dbraw/zinc/81/13/44/491811344.db2.gz QRRXXLZTFOWGDN-RTBURBONSA-N 2 1 370.497 0.789 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000582434711 491812602 /nfs/dbraw/zinc/81/26/02/491812602.db2.gz HSUXFYHEJKINGR-XNJGSVPQSA-N 2 1 354.520 0.281 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCOC)CC(=O)OC)CC2)CC1 ZINC000582922037 491832757 /nfs/dbraw/zinc/83/27/57/491832757.db2.gz VBFFMZFKCRKEMB-UHFFFAOYSA-N 2 1 369.506 0.831 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582956851 491833761 /nfs/dbraw/zinc/83/37/61/491833761.db2.gz IXFGOYFRRGNQMP-HZPDHXFCSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582956851 491833763 /nfs/dbraw/zinc/83/37/63/491833763.db2.gz IXFGOYFRRGNQMP-HZPDHXFCSA-N 2 1 370.538 0.839 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991073 491835591 /nfs/dbraw/zinc/83/55/91/491835591.db2.gz XLSHOIYZHTZLKI-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000583193735 491839912 /nfs/dbraw/zinc/83/99/12/491839912.db2.gz MBCAMXPKIWYPSV-QAQDUYKDSA-N 2 1 368.522 0.932 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253363 491840842 /nfs/dbraw/zinc/84/08/42/491840842.db2.gz QOZMQHSSSYHGMH-KGLIPLIRSA-N 2 1 354.495 0.548 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434843 491844746 /nfs/dbraw/zinc/84/47/46/491844746.db2.gz GHNRWGJPFWTTNH-XLIONFOSSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C[C@@H]21 ZINC000583559063 491847474 /nfs/dbraw/zinc/84/74/74/491847474.db2.gz UOWZJPPYZCWRRX-XBVQOTNRSA-N 2 1 360.433 0.241 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)n1 ZINC000583595603 491848213 /nfs/dbraw/zinc/84/82/13/491848213.db2.gz YZNCNVDYVNMDTN-UHFFFAOYSA-N 2 1 356.430 0.967 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)n1 ZINC000583595603 491848214 /nfs/dbraw/zinc/84/82/14/491848214.db2.gz YZNCNVDYVNMDTN-UHFFFAOYSA-N 2 1 356.430 0.967 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000583708442 491850537 /nfs/dbraw/zinc/85/05/37/491850537.db2.gz XVKHWLGAVFCALJ-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000583861791 491853417 /nfs/dbraw/zinc/85/34/17/491853417.db2.gz VUWKVJUHGJXXSO-CRCOGDFISA-N 2 1 362.518 0.951 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929741 491854896 /nfs/dbraw/zinc/85/48/96/491854896.db2.gz AVHXONZQQARZJH-PBHICJAKSA-N 2 1 367.515 0.907 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929741 491854897 /nfs/dbraw/zinc/85/48/97/491854897.db2.gz AVHXONZQQARZJH-PBHICJAKSA-N 2 1 367.515 0.907 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000584044736 491857207 /nfs/dbraw/zinc/85/72/07/491857207.db2.gz PJUHVKPPVPZCEA-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000584110099 491858664 /nfs/dbraw/zinc/85/86/64/491858664.db2.gz PLVSNTUPTPHJJQ-LSDHHAIUSA-N 2 1 350.467 0.117 20 0 FCADMP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1Br ZINC000594878025 491870460 /nfs/dbraw/zinc/87/04/60/491870460.db2.gz BENOGKNGKFJPBJ-BIMULSAOSA-N 2 1 367.247 0.219 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611839623 491877349 /nfs/dbraw/zinc/87/73/49/491877349.db2.gz VRKAJZIOFBZYEQ-HNNXBMFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000601000926 491892357 /nfs/dbraw/zinc/89/23/57/491892357.db2.gz PDBXBDWLSMYRFE-UHFFFAOYSA-N 2 1 360.502 0.507 20 0 FCADMP C[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000601006666 491893070 /nfs/dbraw/zinc/89/30/70/491893070.db2.gz PKOPSIURVUPSEF-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000601006666 491893071 /nfs/dbraw/zinc/89/30/71/491893071.db2.gz PKOPSIURVUPSEF-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006666 491893073 /nfs/dbraw/zinc/89/30/73/491893073.db2.gz PKOPSIURVUPSEF-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006666 491893075 /nfs/dbraw/zinc/89/30/75/491893075.db2.gz PKOPSIURVUPSEF-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962937 491959692 /nfs/dbraw/zinc/95/96/92/491959692.db2.gz KGUKOJICQKTDOE-INIZCTEOSA-N 2 1 373.505 0.430 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974020 491960726 /nfs/dbraw/zinc/96/07/26/491960726.db2.gz NNLBASVWTANSOS-GJZGRUSLSA-N 2 1 351.495 0.370 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+](C)C1 ZINC000596963877 492007001 /nfs/dbraw/zinc/00/70/01/492007001.db2.gz ITHPTHHAIQMTNJ-KRWDZBQOSA-N 2 1 366.506 0.855 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000597226094 492023401 /nfs/dbraw/zinc/02/34/01/492023401.db2.gz QZZDPMPIOPIMCD-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000604639972 492065457 /nfs/dbraw/zinc/06/54/57/492065457.db2.gz DBZKWEVYJOQOSE-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604639972 492065460 /nfs/dbraw/zinc/06/54/60/492065460.db2.gz DBZKWEVYJOQOSE-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604639972 492065463 /nfs/dbraw/zinc/06/54/63/492065463.db2.gz DBZKWEVYJOQOSE-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000604641316 492066194 /nfs/dbraw/zinc/06/61/94/492066194.db2.gz OVNAHFYYLXAHCC-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604641316 492066195 /nfs/dbraw/zinc/06/61/95/492066195.db2.gz OVNAHFYYLXAHCC-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604641316 492066196 /nfs/dbraw/zinc/06/61/96/492066196.db2.gz OVNAHFYYLXAHCC-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668605 492067775 /nfs/dbraw/zinc/06/77/75/492067775.db2.gz GTCBHXKEASZKTI-GOSISDBHSA-N 2 1 367.538 0.376 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844183 492104588 /nfs/dbraw/zinc/10/45/88/492104588.db2.gz VAZYEPMUTUSBKE-DLBZAZTESA-N 2 1 356.511 0.753 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844183 492104589 /nfs/dbraw/zinc/10/45/89/492104589.db2.gz VAZYEPMUTUSBKE-DLBZAZTESA-N 2 1 356.511 0.753 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000606531635 492124054 /nfs/dbraw/zinc/12/40/54/492124054.db2.gz LGXAOIFPFCTMSX-ROUUACIJSA-N 2 1 351.539 0.251 20 0 FCADMP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000606716100 492127882 /nfs/dbraw/zinc/12/78/82/492127882.db2.gz MBGMOIFATZLBDS-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000599156446 492138492 /nfs/dbraw/zinc/13/84/92/492138492.db2.gz CXMKGKUJJFEGHN-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000599156446 492138495 /nfs/dbraw/zinc/13/84/95/492138495.db2.gz CXMKGKUJJFEGHN-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000599156446 492138498 /nfs/dbraw/zinc/13/84/98/492138498.db2.gz CXMKGKUJJFEGHN-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000599156446 492138500 /nfs/dbraw/zinc/13/85/00/492138500.db2.gz CXMKGKUJJFEGHN-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000599156446 492138502 /nfs/dbraw/zinc/13/85/02/492138502.db2.gz CXMKGKUJJFEGHN-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CCCC(=O)NC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608017748 492162547 /nfs/dbraw/zinc/16/25/47/492162547.db2.gz SKCHANVBVPEUTI-OAHLLOKOSA-N 2 1 352.479 0.446 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000608691083 492187100 /nfs/dbraw/zinc/18/71/00/492187100.db2.gz SQRTWRIGDVERQX-JKSUJKDBSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000617753035 492189279 /nfs/dbraw/zinc/18/92/79/492189279.db2.gz ZOQLZIQOARGDMA-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(=O)N(C)CC3)CC2)CC1 ZINC000619063753 492249386 /nfs/dbraw/zinc/24/93/86/492249386.db2.gz QOLYCUVQLKJRMG-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000619897826 492282214 /nfs/dbraw/zinc/28/22/14/492282214.db2.gz BBMBUIMUGSRCBG-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000619897826 492282215 /nfs/dbraw/zinc/28/22/15/492282215.db2.gz BBMBUIMUGSRCBG-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627428669 492292202 /nfs/dbraw/zinc/29/22/02/492292202.db2.gz LKFCOTDINPSOGP-AVGNSLFASA-N 2 1 364.412 0.573 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654379028 492296251 /nfs/dbraw/zinc/29/62/51/492296251.db2.gz MJXNGXHFKAEKSC-HOTGVXAUSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654379028 492296255 /nfs/dbraw/zinc/29/62/55/492296255.db2.gz MJXNGXHFKAEKSC-HOTGVXAUSA-N 2 1 351.495 0.513 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654436796 492303267 /nfs/dbraw/zinc/30/32/67/492303267.db2.gz GHTCZAQPLNMOSN-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654436796 492303268 /nfs/dbraw/zinc/30/32/68/492303268.db2.gz GHTCZAQPLNMOSN-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000620325381 492303751 /nfs/dbraw/zinc/30/37/51/492303751.db2.gz QSNHFODBYOKHCF-QGZVFWFLSA-N 2 1 354.495 0.603 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826611 492311386 /nfs/dbraw/zinc/31/13/86/492311386.db2.gz OATZXMPUEFQRHT-ZWKOTPCHSA-N 2 1 369.554 0.811 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825715 492311430 /nfs/dbraw/zinc/31/14/30/492311430.db2.gz WTQBAFAHHQRZMS-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825715 492311433 /nfs/dbraw/zinc/31/14/33/492311433.db2.gz WTQBAFAHHQRZMS-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@@H]1CC[N@@H+](C)C1 ZINC000647568841 492317922 /nfs/dbraw/zinc/31/79/22/492317922.db2.gz UXKDFQJJGZIHPN-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000647568841 492317925 /nfs/dbraw/zinc/31/79/25/492317925.db2.gz UXKDFQJJGZIHPN-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000647568841 492317926 /nfs/dbraw/zinc/31/79/26/492317926.db2.gz UXKDFQJJGZIHPN-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000627507444 492326777 /nfs/dbraw/zinc/32/67/77/492326777.db2.gz SVPCACGSMTURBT-KYHPRHEASA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000627507444 492326785 /nfs/dbraw/zinc/32/67/85/492326785.db2.gz SVPCACGSMTURBT-KYHPRHEASA-N 2 1 358.486 0.974 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000634258390 492331327 /nfs/dbraw/zinc/33/13/27/492331327.db2.gz FQJJDCFOIFMBIN-INIZCTEOSA-N 2 1 359.474 0.334 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000634258390 492331329 /nfs/dbraw/zinc/33/13/29/492331329.db2.gz FQJJDCFOIFMBIN-INIZCTEOSA-N 2 1 359.474 0.334 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334814 /nfs/dbraw/zinc/33/48/14/492334814.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 2 1 354.417 0.830 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H](NC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334817 /nfs/dbraw/zinc/33/48/17/492334817.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 2 1 354.417 0.830 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334820 /nfs/dbraw/zinc/33/48/20/492334820.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 2 1 354.417 0.830 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634296902 492334951 /nfs/dbraw/zinc/33/49/51/492334951.db2.gz COPVDFFPNWVNFP-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634296902 492334955 /nfs/dbraw/zinc/33/49/55/492334955.db2.gz COPVDFFPNWVNFP-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253889 492345319 /nfs/dbraw/zinc/34/53/19/492345319.db2.gz OXIHOEKIGVPHMD-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642302692 492349831 /nfs/dbraw/zinc/34/98/31/492349831.db2.gz VDCNYJPTTJRASR-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000642332351 492351588 /nfs/dbraw/zinc/35/15/88/492351588.db2.gz GGTMVWGBINBUEH-NJAFHUGGSA-N 2 1 373.501 0.039 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642330545 492352096 /nfs/dbraw/zinc/35/20/96/492352096.db2.gz TTXRDWYQEPIQLB-QXSJWSMHSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642495873 492360005 /nfs/dbraw/zinc/36/00/05/492360005.db2.gz ZCHUBKAVBNGFDG-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000642522159 492360748 /nfs/dbraw/zinc/36/07/48/492360748.db2.gz LMZADFOBPYGACZ-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634709270 492361787 /nfs/dbraw/zinc/36/17/87/492361787.db2.gz GUDBDGNHRJXMOQ-ZWKOTPCHSA-N 2 1 367.515 0.495 20 0 FCADMP CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634709270 492361790 /nfs/dbraw/zinc/36/17/90/492361790.db2.gz GUDBDGNHRJXMOQ-ZWKOTPCHSA-N 2 1 367.515 0.495 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642550347 492363732 /nfs/dbraw/zinc/36/37/32/492363732.db2.gz AMASLAZCYGKHFV-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634722932 492363780 /nfs/dbraw/zinc/36/37/80/492363780.db2.gz XLNYTKICXZGVRG-WOJBJXKFSA-N 2 1 358.486 0.798 20 0 FCADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634722932 492363782 /nfs/dbraw/zinc/36/37/82/492363782.db2.gz XLNYTKICXZGVRG-WOJBJXKFSA-N 2 1 358.486 0.798 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640703 492368149 /nfs/dbraw/zinc/36/81/49/492368149.db2.gz KLICKWHVAFIYSK-CEXWTWQISA-N 2 1 370.497 0.739 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642640224 492368200 /nfs/dbraw/zinc/36/82/00/492368200.db2.gz TVVVLIMVHKUVJG-DLBZAZTESA-N 2 1 352.523 0.927 20 0 FCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835275 492369063 /nfs/dbraw/zinc/36/90/63/492369063.db2.gz STIIAGKSWDPDGJ-HNNXBMFYSA-N 2 1 364.490 0.718 20 0 FCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835275 492369067 /nfs/dbraw/zinc/36/90/67/492369067.db2.gz STIIAGKSWDPDGJ-HNNXBMFYSA-N 2 1 364.490 0.718 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640888 492369183 /nfs/dbraw/zinc/36/91/83/492369183.db2.gz ISOVKRBOMSCCRY-ZSYWTGECSA-N 2 1 370.497 0.963 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642645417 492370265 /nfs/dbraw/zinc/37/02/65/492370265.db2.gz KBSYTBWUJUYBEE-ARFHVFGLSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000642693054 492374172 /nfs/dbraw/zinc/37/41/72/492374172.db2.gz MZUZCSCUTKFKFQ-VKJFTORMSA-N 2 1 374.485 0.124 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000642693054 492374178 /nfs/dbraw/zinc/37/41/78/492374178.db2.gz MZUZCSCUTKFKFQ-VKJFTORMSA-N 2 1 374.485 0.124 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729522 492381383 /nfs/dbraw/zinc/38/13/83/492381383.db2.gz TUQGTVZXWRDAHP-BHYGNILZSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729522 492381386 /nfs/dbraw/zinc/38/13/86/492381386.db2.gz TUQGTVZXWRDAHP-BHYGNILZSA-N 2 1 362.474 0.246 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccsc1 ZINC000642731654 492381699 /nfs/dbraw/zinc/38/16/99/492381699.db2.gz AERRKYYVFZNRSW-VHDGCEQUSA-N 2 1 350.488 0.677 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728639 492381761 /nfs/dbraw/zinc/38/17/61/492381761.db2.gz OCFPCACCZTVUQX-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728639 492381763 /nfs/dbraw/zinc/38/17/63/492381763.db2.gz OCFPCACCZTVUQX-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000642731700 492381792 /nfs/dbraw/zinc/38/17/92/492381792.db2.gz MYZYDXYWNFZNPO-FPMFFAJLSA-N 2 1 354.476 0.042 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CCCCC1 ZINC000642732688 492382902 /nfs/dbraw/zinc/38/29/02/492382902.db2.gz QAQNWAGVOLWBRY-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642750889 492384906 /nfs/dbraw/zinc/38/49/06/492384906.db2.gz PDFITYWDOBVPAJ-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000642759503 492386447 /nfs/dbraw/zinc/38/64/47/492386447.db2.gz DGOLYHNYYWYVIO-ONIAQPFYSA-N 2 1 374.485 0.198 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642756695 492386484 /nfs/dbraw/zinc/38/64/84/492386484.db2.gz XFOZTAJAQUUFDE-FHWLQOOXSA-N 2 1 370.497 0.835 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642756696 492386720 /nfs/dbraw/zinc/38/67/20/492386720.db2.gz XFOZTAJAQUUFDE-GBESFXJTSA-N 2 1 370.497 0.835 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778964 492389436 /nfs/dbraw/zinc/38/94/36/492389436.db2.gz TZWBALMDVQUUTI-LSDHHAIUSA-N 2 1 359.474 0.802 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976281 492390826 /nfs/dbraw/zinc/39/08/26/492390826.db2.gz MJKJITQVJHLHTI-YYIAUSFCSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976281 492390830 /nfs/dbraw/zinc/39/08/30/492390830.db2.gz MJKJITQVJHLHTI-YYIAUSFCSA-N 2 1 371.547 0.732 20 0 FCADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000648034368 492394371 /nfs/dbraw/zinc/39/43/71/492394371.db2.gz QRJNTQGKQKEWLM-MRXNPFEDSA-N 2 1 351.495 0.984 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642893340 492397642 /nfs/dbraw/zinc/39/76/42/492397642.db2.gz HUKOEJGCXXRYTM-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096237 492402336 /nfs/dbraw/zinc/40/23/36/492402336.db2.gz PUBIHJQQQADJNV-CMKODMSKSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642918179 492403167 /nfs/dbraw/zinc/40/31/67/492403167.db2.gz PFHXDDAELQMEKC-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918792 492403750 /nfs/dbraw/zinc/40/37/50/492403750.db2.gz CHYRTRZWFKBBEU-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642920121 492405086 /nfs/dbraw/zinc/40/50/86/492405086.db2.gz ZELAJEOGHWBVIE-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000642920121 492405087 /nfs/dbraw/zinc/40/50/87/492405087.db2.gz ZELAJEOGHWBVIE-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@@H](O)[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655148211 492407033 /nfs/dbraw/zinc/40/70/33/492407033.db2.gz ZMQOJCRXOPSWFH-ZWKOTPCHSA-N 2 1 355.523 0.821 20 0 FCADMP [NH3+]C1(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCC1 ZINC000648150628 492409258 /nfs/dbraw/zinc/40/92/58/492409258.db2.gz VUHXUJGZCVOXEN-UHFFFAOYSA-N 2 1 366.506 0.335 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979907 492409340 /nfs/dbraw/zinc/40/93/40/492409340.db2.gz OOQRSAQGYPLXKR-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000642980722 492410617 /nfs/dbraw/zinc/41/06/17/492410617.db2.gz KWYMCSVQWUTXMB-NCOADZHNSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983101 492411375 /nfs/dbraw/zinc/41/13/75/492411375.db2.gz GFVFNOOGVIGECN-WMZOPIPTSA-N 2 1 356.470 0.849 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643007699 492413305 /nfs/dbraw/zinc/41/33/05/492413305.db2.gz XSLLWAZJXNNZGS-OKZBNKHCSA-N 2 1 358.486 0.963 20 0 FCADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072469 492418323 /nfs/dbraw/zinc/41/83/23/492418323.db2.gz KVWRAVKAYLMKLM-KXBFYZLASA-N 2 1 374.485 0.789 20 0 FCADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072469 492418330 /nfs/dbraw/zinc/41/83/30/492418330.db2.gz KVWRAVKAYLMKLM-KXBFYZLASA-N 2 1 374.485 0.789 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)CCC(F)(F)F ZINC000621841305 492423086 /nfs/dbraw/zinc/42/30/86/492423086.db2.gz UAJRZIKOEHFLPL-DOMZBBRYSA-N 2 1 364.412 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)CCC(F)(F)F ZINC000621841305 492423090 /nfs/dbraw/zinc/42/30/90/492423090.db2.gz UAJRZIKOEHFLPL-DOMZBBRYSA-N 2 1 364.412 0.717 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621844080 492424412 /nfs/dbraw/zinc/42/44/12/492424412.db2.gz OVIJUPADANVFBZ-CNTRQJEFSA-N 2 1 370.497 0.963 20 0 FCADMP CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000643250829 492434224 /nfs/dbraw/zinc/43/42/24/492434224.db2.gz LCWDEGBXXFRSTD-GOSISDBHSA-N 2 1 372.469 0.987 20 0 FCADMP CCN1C(=O)[C@H]2CN(Cc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000643250829 492434228 /nfs/dbraw/zinc/43/42/28/492434228.db2.gz LCWDEGBXXFRSTD-GOSISDBHSA-N 2 1 372.469 0.987 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551873 492454903 /nfs/dbraw/zinc/45/49/03/492454903.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551873 492454907 /nfs/dbraw/zinc/45/49/07/492454907.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551873 492454912 /nfs/dbraw/zinc/45/49/12/492454912.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551873 492454916 /nfs/dbraw/zinc/45/49/16/492454916.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551873 492454921 /nfs/dbraw/zinc/45/49/21/492454921.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512572 492462352 /nfs/dbraw/zinc/46/23/52/492462352.db2.gz OAHIQUKEALONEW-QZTJIDSGSA-N 2 1 350.507 0.478 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528230 492464047 /nfs/dbraw/zinc/46/40/47/492464047.db2.gz PMLAGRUEALWXEO-AEFFLSMTSA-N 2 1 369.473 0.968 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)C1 ZINC000635570925 492474875 /nfs/dbraw/zinc/47/48/75/492474875.db2.gz PBCNPQDUOMMGAN-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635573128 492474979 /nfs/dbraw/zinc/47/49/79/492474979.db2.gz RLOIQJCMSNHATL-QGZVFWFLSA-N 2 1 350.507 0.385 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000643480798 492476950 /nfs/dbraw/zinc/47/69/50/492476950.db2.gz JPPJTPOTVORDED-RTBURBONSA-N 2 1 370.497 0.584 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484268 492478230 /nfs/dbraw/zinc/47/82/30/492478230.db2.gz MIIPZNNZSWQJBQ-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000643484737 492478345 /nfs/dbraw/zinc/47/83/45/492478345.db2.gz XQZSKFYYKGAXGX-QGZVFWFLSA-N 2 1 358.486 0.837 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643494170 492481547 /nfs/dbraw/zinc/48/15/47/492481547.db2.gz NHNJDWONXMFXKY-HOCLYGCPSA-N 2 1 354.495 0.140 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643513268 492486269 /nfs/dbraw/zinc/48/62/69/492486269.db2.gz LSTZISRHKXZLMR-XHSDSOJGSA-N 2 1 359.474 0.819 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643513620 492486399 /nfs/dbraw/zinc/48/63/99/492486399.db2.gz QYJMDCQGHGEYGW-SJORKVTESA-N 2 1 367.538 0.057 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000643513328 492486585 /nfs/dbraw/zinc/48/65/85/492486585.db2.gz WDADVJFRQVOJPR-ARFHVFGLSA-N 2 1 359.474 0.677 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000643515661 492487408 /nfs/dbraw/zinc/48/74/08/492487408.db2.gz HZRORAYFJDEDCS-SJORKVTESA-N 2 1 364.490 0.038 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000643531890 492492161 /nfs/dbraw/zinc/49/21/61/492492161.db2.gz SRSJXPYXDWVKOG-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000643549828 492497208 /nfs/dbraw/zinc/49/72/08/492497208.db2.gz TYUXYZCLUDBRLG-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549863 492498076 /nfs/dbraw/zinc/49/80/76/492498076.db2.gz WWCSBHYTVAZUOU-FSDCSDTHSA-N 2 1 364.490 0.036 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643558637 492498506 /nfs/dbraw/zinc/49/85/06/492498506.db2.gz PAJSCFWGFDIPGB-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCO1 ZINC000643577751 492499942 /nfs/dbraw/zinc/49/99/42/492499942.db2.gz SRAYRDRNLRAUFW-ZBFHGGJFSA-N 2 1 366.462 0.135 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643586156 492500855 /nfs/dbraw/zinc/50/08/55/492500855.db2.gz YASHMLAAGAFITC-NXHRZFHOSA-N 2 1 358.486 0.915 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321228 492532507 /nfs/dbraw/zinc/53/25/07/492532507.db2.gz PEZKBWXOJCQEAO-MSOLQXFVSA-N 2 1 374.485 0.236 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCOC3)c2)CC1 ZINC000649346753 492541183 /nfs/dbraw/zinc/54/11/83/492541183.db2.gz HNWCWLUZOOPMEQ-MRXNPFEDSA-N 2 1 360.458 0.178 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649350651 492544073 /nfs/dbraw/zinc/54/40/73/492544073.db2.gz WLCCZRFEJJLUGK-IBGZPJMESA-N 2 1 360.502 0.676 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649352015 492545517 /nfs/dbraw/zinc/54/55/17/492545517.db2.gz HVRGJIVKIPSFQO-INIZCTEOSA-N 2 1 367.444 0.955 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC[C@@H]1[NH3+] ZINC000649358931 492547462 /nfs/dbraw/zinc/54/74/62/492547462.db2.gz JFDQBBCMBRENHW-NCOADZHNSA-N 2 1 350.507 0.905 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000649365654 492548298 /nfs/dbraw/zinc/54/82/98/492548298.db2.gz IIZWZKYILXKMLE-QBPKDAKJSA-N 2 1 350.507 0.953 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410868 492552856 /nfs/dbraw/zinc/55/28/56/492552856.db2.gz ZHRXOXLOWLCQBH-PKOBYXMFSA-N 2 1 360.502 0.687 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc21 ZINC000636124924 492553087 /nfs/dbraw/zinc/55/30/87/492553087.db2.gz GPKRCWYKQKTGOT-OAHLLOKOSA-N 2 1 373.457 0.195 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc21 ZINC000636124924 492553089 /nfs/dbraw/zinc/55/30/89/492553089.db2.gz GPKRCWYKQKTGOT-OAHLLOKOSA-N 2 1 373.457 0.195 20 0 FCADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000649419806 492553338 /nfs/dbraw/zinc/55/33/38/492553338.db2.gz UIBWPBHTKJFHDL-LJQANCHMSA-N 2 1 362.518 0.706 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000649473998 492557045 /nfs/dbraw/zinc/55/70/45/492557045.db2.gz ZUBKQEIXJHFCJQ-YESZJQIVSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000649473998 492557048 /nfs/dbraw/zinc/55/70/48/492557048.db2.gz ZUBKQEIXJHFCJQ-YESZJQIVSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000649473998 492557053 /nfs/dbraw/zinc/55/70/53/492557053.db2.gz ZUBKQEIXJHFCJQ-YESZJQIVSA-N 2 1 368.522 0.329 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623592830 492570888 /nfs/dbraw/zinc/57/08/88/492570888.db2.gz DBYMKVYYZLQZPV-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000636282403 492575409 /nfs/dbraw/zinc/57/54/09/492575409.db2.gz KUDKEAOTRIZODK-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000636282403 492575415 /nfs/dbraw/zinc/57/54/15/492575415.db2.gz KUDKEAOTRIZODK-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000636282403 492575417 /nfs/dbraw/zinc/57/54/17/492575417.db2.gz KUDKEAOTRIZODK-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000656297462 492576326 /nfs/dbraw/zinc/57/63/26/492576326.db2.gz CDDNCQXPFKDTRT-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000656308594 492582289 /nfs/dbraw/zinc/58/22/89/492582289.db2.gz GACQJGJAHLUIGO-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656353973 492609402 /nfs/dbraw/zinc/60/94/02/492609402.db2.gz ADUFPUJHPWUVBU-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP Nc1nc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000623971966 492610558 /nfs/dbraw/zinc/61/05/58/492610558.db2.gz MUDVWALMKJSNSD-NSHDSACASA-N 2 1 353.352 0.824 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359328 492613529 /nfs/dbraw/zinc/61/35/29/492613529.db2.gz OUEBTLFRKWJBCN-MSOLQXFVSA-N 2 1 371.485 0.863 20 0 FCADMP C[C@@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cn2)CCO1 ZINC000636540514 492615033 /nfs/dbraw/zinc/61/50/33/492615033.db2.gz VVJMODZFOVQLOE-ZBFHGGJFSA-N 2 1 363.462 0.173 20 0 FCADMP C[C@@H]1CN(c2ccc(CNC(=O)NCCN3CC[C@H](O)C3)cn2)CCO1 ZINC000636540514 492615034 /nfs/dbraw/zinc/61/50/34/492615034.db2.gz VVJMODZFOVQLOE-ZBFHGGJFSA-N 2 1 363.462 0.173 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCC[C@H](C)C1 ZINC000636553907 492619919 /nfs/dbraw/zinc/61/99/19/492619919.db2.gz JAUNKWXJDODRMB-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCC[C@H](C)C1 ZINC000636553907 492619924 /nfs/dbraw/zinc/61/99/24/492619924.db2.gz JAUNKWXJDODRMB-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCOCC[NH2+]C)ccc1C ZINC000629570155 492648694 /nfs/dbraw/zinc/64/86/94/492648694.db2.gz VAIUPFNMCIVZMN-UHFFFAOYSA-N 2 1 372.491 0.009 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CCOCC[NH2+]C)ccc1C ZINC000629570155 492648696 /nfs/dbraw/zinc/64/86/96/492648696.db2.gz VAIUPFNMCIVZMN-UHFFFAOYSA-N 2 1 372.491 0.009 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000629578664 492655761 /nfs/dbraw/zinc/65/57/61/492655761.db2.gz KZOQOZOOXUTZHU-UHFFFAOYSA-N 2 1 368.522 0.581 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000629578664 492655765 /nfs/dbraw/zinc/65/57/65/492655765.db2.gz KZOQOZOOXUTZHU-UHFFFAOYSA-N 2 1 368.522 0.581 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793255 492674044 /nfs/dbraw/zinc/67/40/44/492674044.db2.gz DNSVMPIBCZCSOD-IAGOWNOFSA-N 2 1 368.522 0.533 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793257 492674511 /nfs/dbraw/zinc/67/45/11/492674511.db2.gz DNSVMPIBCZCSOD-IRXDYDNUSA-N 2 1 368.522 0.533 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000629799071 492677750 /nfs/dbraw/zinc/67/77/50/492677750.db2.gz DVIFWHWYYMTMJW-KRWDZBQOSA-N 2 1 362.474 0.153 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000636761179 492685140 /nfs/dbraw/zinc/68/51/40/492685140.db2.gz GERRVTNDLMXSRX-FGTMMUONSA-N 2 1 368.522 0.726 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636813989 492701657 /nfs/dbraw/zinc/70/16/57/492701657.db2.gz DKSKLFHROIZGAP-CQSZACIVSA-N 2 1 350.467 0.992 20 0 FCADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000629917059 492703917 /nfs/dbraw/zinc/70/39/17/492703917.db2.gz KCMZHNQSHWWYET-SFHVURJKSA-N 2 1 352.523 0.366 20 0 FCADMP C[NH+](CC(=O)N1CC2CN(C(=O)C[N@H+](C)C3CCC3)CC2C1)C1CCC1 ZINC000629995633 492712159 /nfs/dbraw/zinc/71/21/59/492712159.db2.gz DZBODUNLNZFMBA-UHFFFAOYSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NCCN3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000630343578 492740117 /nfs/dbraw/zinc/74/01/17/492740117.db2.gz DENDSDSEALPGAI-UHFFFAOYSA-N 2 1 361.494 0.267 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000637259377 492800945 /nfs/dbraw/zinc/80/09/45/492800945.db2.gz VVVVNIUXYQTCMF-JYJNAYRXSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000637259377 492800950 /nfs/dbraw/zinc/80/09/50/492800950.db2.gz VVVVNIUXYQTCMF-JYJNAYRXSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000637259377 492800953 /nfs/dbraw/zinc/80/09/53/492800953.db2.gz VVVVNIUXYQTCMF-JYJNAYRXSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000637259379 492801388 /nfs/dbraw/zinc/80/13/88/492801388.db2.gz VVVVNIUXYQTCMF-PMPSAXMXSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000637259379 492801392 /nfs/dbraw/zinc/80/13/92/492801392.db2.gz VVVVNIUXYQTCMF-PMPSAXMXSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000637259379 492801395 /nfs/dbraw/zinc/80/13/95/492801395.db2.gz VVVVNIUXYQTCMF-PMPSAXMXSA-N 2 1 351.495 0.642 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631273595 492808468 /nfs/dbraw/zinc/80/84/68/492808468.db2.gz QYQHLPKIFQIFOY-UHFFFAOYSA-N 2 1 350.511 0.592 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375145 492814979 /nfs/dbraw/zinc/81/49/79/492814979.db2.gz FQSFKNMTIPMALX-INIZCTEOSA-N 2 1 365.478 0.693 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377218 492815605 /nfs/dbraw/zinc/81/56/05/492815605.db2.gz XDVKFOBZXKECTQ-HOTGVXAUSA-N 2 1 353.511 0.842 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637377218 492815610 /nfs/dbraw/zinc/81/56/10/492815610.db2.gz XDVKFOBZXKECTQ-HOTGVXAUSA-N 2 1 353.511 0.842 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637377218 492815611 /nfs/dbraw/zinc/81/56/11/492815611.db2.gz XDVKFOBZXKECTQ-HOTGVXAUSA-N 2 1 353.511 0.842 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000637375942 492815938 /nfs/dbraw/zinc/81/59/38/492815938.db2.gz AGOSDPPYQHYENF-HOTGVXAUSA-N 2 1 351.495 0.596 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637376716 492816076 /nfs/dbraw/zinc/81/60/76/492816076.db2.gz LNYNGGNZQUOJDK-PMPSAXMXSA-N 2 1 351.495 0.594 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637376716 492816078 /nfs/dbraw/zinc/81/60/78/492816078.db2.gz LNYNGGNZQUOJDK-PMPSAXMXSA-N 2 1 351.495 0.594 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637376716 492816080 /nfs/dbraw/zinc/81/60/80/492816080.db2.gz LNYNGGNZQUOJDK-PMPSAXMXSA-N 2 1 351.495 0.594 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)COC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000645182818 492876501 /nfs/dbraw/zinc/87/65/01/492876501.db2.gz NGGXTDKYRCQQFJ-MRXNPFEDSA-N 2 1 366.531 0.921 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652144694 492886132 /nfs/dbraw/zinc/88/61/32/492886132.db2.gz OQDRNMAHMRHZDV-MRXNPFEDSA-N 2 1 353.511 0.618 20 0 FCADMP CCCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645276848 492887762 /nfs/dbraw/zinc/88/77/62/492887762.db2.gz IWWQQDAIUOIFLJ-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CCCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645276848 492887767 /nfs/dbraw/zinc/88/77/67/492887767.db2.gz IWWQQDAIUOIFLJ-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652159165 492889257 /nfs/dbraw/zinc/88/92/57/492889257.db2.gz SMZRTKNLDHWXJR-GVDBMIGSSA-N 2 1 356.511 0.883 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)[C@H]1c1nccn1C ZINC000625802627 492889479 /nfs/dbraw/zinc/88/94/79/492889479.db2.gz VUIZBULOJSMSFQ-BPUTZDHNSA-N 2 1 363.462 0.261 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1C ZINC000652165523 492889770 /nfs/dbraw/zinc/88/97/70/492889770.db2.gz SJXZTFBOILEGCD-OFQRWUPVSA-N 2 1 364.494 0.914 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000652171682 492890667 /nfs/dbraw/zinc/89/06/67/492890667.db2.gz SIXWUKAAGYUALD-KSWRQPAISA-N 2 1 354.495 0.633 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000652171682 492890669 /nfs/dbraw/zinc/89/06/69/492890669.db2.gz SIXWUKAAGYUALD-KSWRQPAISA-N 2 1 354.495 0.633 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638091839 492903654 /nfs/dbraw/zinc/90/36/54/492903654.db2.gz CUFCONBPFYJRIR-MRXNPFEDSA-N 2 1 359.474 0.228 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348666 492913823 /nfs/dbraw/zinc/91/38/23/492913823.db2.gz MLLMFUFCMXTQDT-JZXOWHBKSA-N 3 1 352.523 0.805 20 0 FCADMP C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CC[NH3+] ZINC000652355150 492914820 /nfs/dbraw/zinc/91/48/20/492914820.db2.gz QEAGJTZFWFBZAV-IRXDYDNUSA-N 2 1 360.506 0.965 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363176 492916257 /nfs/dbraw/zinc/91/62/57/492916257.db2.gz ZNTFFLUYKXQZDZ-CGTJXYLNSA-N 3 1 352.523 0.948 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363176 492916259 /nfs/dbraw/zinc/91/62/59/492916259.db2.gz ZNTFFLUYKXQZDZ-CGTJXYLNSA-N 2 1 352.523 0.948 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000658529698 492930660 /nfs/dbraw/zinc/93/06/60/492930660.db2.gz JLZXLXBBJQTZGW-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000658529698 492930664 /nfs/dbraw/zinc/93/06/64/492930664.db2.gz JLZXLXBBJQTZGW-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000632122239 492934195 /nfs/dbraw/zinc/93/41/95/492934195.db2.gz PILWGIVSDMVMRW-SJORKVTESA-N 2 1 358.552 0.370 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000632170652 492943464 /nfs/dbraw/zinc/94/34/64/492943464.db2.gz HNSSQMWFFDHGJU-QZTJIDSGSA-N 2 1 369.531 0.741 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255373 492958854 /nfs/dbraw/zinc/95/88/54/492958854.db2.gz QNCUKKQCPASEGS-IAGOWNOFSA-N 2 1 360.568 0.664 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638753286 492976297 /nfs/dbraw/zinc/97/62/97/492976297.db2.gz UKUPBUUNTMFZTR-ZWKOTPCHSA-N 2 1 370.457 0.330 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638753286 492976298 /nfs/dbraw/zinc/97/62/98/492976298.db2.gz UKUPBUUNTMFZTR-ZWKOTPCHSA-N 2 1 370.457 0.330 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000652670133 492984171 /nfs/dbraw/zinc/98/41/71/492984171.db2.gz HVYOERAWWZKPCC-MRXNPFEDSA-N 2 1 354.495 0.047 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652678174 492986676 /nfs/dbraw/zinc/98/66/76/492986676.db2.gz WFOGRGPAQOWAPO-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000632375572 492986637 /nfs/dbraw/zinc/98/66/37/492986637.db2.gz WTNSWKHARXGOHR-IBGZPJMESA-N 2 1 371.485 0.941 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684084 492989606 /nfs/dbraw/zinc/98/96/06/492989606.db2.gz FJJOXYNXPZJXKF-ZMSDIMECSA-N 2 1 366.506 0.332 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652694530 492992762 /nfs/dbraw/zinc/99/27/62/492992762.db2.gz ADPTZIWRYZMKLC-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652694530 492992765 /nfs/dbraw/zinc/99/27/65/492992765.db2.gz ADPTZIWRYZMKLC-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652698052 492993674 /nfs/dbraw/zinc/99/36/74/492993674.db2.gz UIQSLFCOEHIPKS-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652698052 492993675 /nfs/dbraw/zinc/99/36/75/492993675.db2.gz UIQSLFCOEHIPKS-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652698054 492993846 /nfs/dbraw/zinc/99/38/46/492993846.db2.gz UIQSLFCOEHIPKS-ROUUACIJSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652698054 492993848 /nfs/dbraw/zinc/99/38/48/492993848.db2.gz UIQSLFCOEHIPKS-ROUUACIJSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652702331 492994741 /nfs/dbraw/zinc/99/47/41/492994741.db2.gz VEVVTKJVRUBDCM-GHTZIAJQSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652702331 492994745 /nfs/dbraw/zinc/99/47/45/492994745.db2.gz VEVVTKJVRUBDCM-GHTZIAJQSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652701540 492994840 /nfs/dbraw/zinc/99/48/40/492994840.db2.gz DEIAABILJXZAMG-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652701540 492994845 /nfs/dbraw/zinc/99/48/45/492994845.db2.gz DEIAABILJXZAMG-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002958 492998889 /nfs/dbraw/zinc/99/88/89/492998889.db2.gz LIIJMLYXPICOHG-GPMSIDNRSA-N 2 1 352.523 0.757 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)c1 ZINC000652724856 493004208 /nfs/dbraw/zinc/00/42/08/493004208.db2.gz OONGGCDNYUDXFG-UHFFFAOYSA-N 2 1 359.474 0.545 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652733948 493011435 /nfs/dbraw/zinc/01/14/35/493011435.db2.gz VDPAMBOAJIFWIF-QAETUUGQSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H](Cc2ccccc2)C1 ZINC000652736308 493011961 /nfs/dbraw/zinc/01/19/61/493011961.db2.gz CTANOVZBGUTEEH-NQIIRXRSSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H](Cc2ccccc2)C1 ZINC000652736308 493011966 /nfs/dbraw/zinc/01/19/66/493011966.db2.gz CTANOVZBGUTEEH-NQIIRXRSSA-N 2 1 370.497 0.584 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736365 493012376 /nfs/dbraw/zinc/01/23/76/493012376.db2.gz FALKEHKITUNXCK-QRVBRYPASA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736365 493012379 /nfs/dbraw/zinc/01/23/79/493012379.db2.gz FALKEHKITUNXCK-QRVBRYPASA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652736743 493013570 /nfs/dbraw/zinc/01/35/70/493013570.db2.gz OCNMVAWESVFSQO-LJQANCHMSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652736743 493013575 /nfs/dbraw/zinc/01/35/75/493013575.db2.gz OCNMVAWESVFSQO-LJQANCHMSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@@H]2C1 ZINC000626811429 493024903 /nfs/dbraw/zinc/02/49/03/493024903.db2.gz DKYDJRPQVXGXKP-XJKSGUPXSA-N 2 1 358.442 0.660 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC000652883879 493031966 /nfs/dbraw/zinc/03/19/66/493031966.db2.gz XTFNRPQXDUIZNL-RTBURBONSA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC000652883879 493031971 /nfs/dbraw/zinc/03/19/71/493031971.db2.gz XTFNRPQXDUIZNL-RTBURBONSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cc2)C1 ZINC000626880093 493045893 /nfs/dbraw/zinc/04/58/93/493045893.db2.gz ZUMKWKRKKQLXNP-YJBOKZPZSA-N 2 1 374.485 0.962 20 0 FCADMP C[N@@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](CO)C1 ZINC000639872941 493062970 /nfs/dbraw/zinc/06/29/70/493062970.db2.gz YJUXSGKASVSNCZ-LJQANCHMSA-N 2 1 360.502 0.507 20 0 FCADMP C[N@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](CO)C1 ZINC000639872941 493062974 /nfs/dbraw/zinc/06/29/74/493062974.db2.gz YJUXSGKASVSNCZ-LJQANCHMSA-N 2 1 360.502 0.507 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000626923647 493063437 /nfs/dbraw/zinc/06/34/37/493063437.db2.gz YDXVSCZDFIULAD-WMZOPIPTSA-N 2 1 369.473 0.886 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626934812 493067761 /nfs/dbraw/zinc/06/77/61/493067761.db2.gz OBRCASJTZZXGOE-GOSISDBHSA-N 2 1 369.473 0.670 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000627003133 493078388 /nfs/dbraw/zinc/07/83/88/493078388.db2.gz HROTXDOEWVLYGN-ZDEQEGDKSA-N 2 1 352.401 0.874 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003133 493078390 /nfs/dbraw/zinc/07/83/90/493078390.db2.gz HROTXDOEWVLYGN-ZDEQEGDKSA-N 2 1 352.401 0.874 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627099042 493087612 /nfs/dbraw/zinc/08/76/12/493087612.db2.gz DNGKATGJBNCCNG-CGTJXYLNSA-N 2 1 364.465 0.885 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633028393 493106292 /nfs/dbraw/zinc/10/62/92/493106292.db2.gz IUDHLWGTSHSSDL-FSDCSDTHSA-N 2 1 372.469 0.807 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633028393 493106298 /nfs/dbraw/zinc/10/62/98/493106298.db2.gz IUDHLWGTSHSSDL-FSDCSDTHSA-N 2 1 372.469 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000653385780 493112594 /nfs/dbraw/zinc/11/25/94/493112594.db2.gz GPHQDWUOPQDBEA-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000627251319 493117204 /nfs/dbraw/zinc/11/72/04/493117204.db2.gz GFEQADRYCZEVBC-RTBURBONSA-N 2 1 357.502 0.950 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082230 493117188 /nfs/dbraw/zinc/11/71/88/493117188.db2.gz MZDLEALCJLXXKD-BZSNNMDCSA-N 2 1 371.485 0.467 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000633085094 493118251 /nfs/dbraw/zinc/11/82/51/493118251.db2.gz OJPMMQVRHPXPEC-NNXHMXCWSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000633085094 493118257 /nfs/dbraw/zinc/11/82/57/493118257.db2.gz OJPMMQVRHPXPEC-NNXHMXCWSA-N 2 1 364.490 0.049 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1=O ZINC000633106575 493128739 /nfs/dbraw/zinc/12/87/39/493128739.db2.gz VLZPFKRIYFZZPZ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000633115190 493131845 /nfs/dbraw/zinc/13/18/45/493131845.db2.gz HGZABHKKYDPKFY-UONOGXRCSA-N 2 1 350.488 0.383 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000633143420 493135700 /nfs/dbraw/zinc/13/57/00/493135700.db2.gz LYLIZYFUTJQSKG-DLBZAZTESA-N 2 1 373.501 0.215 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627291942 493136689 /nfs/dbraw/zinc/13/66/89/493136689.db2.gz ISFGKGDGSGFBLN-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627296162 493139051 /nfs/dbraw/zinc/13/90/51/493139051.db2.gz YERZJEGQQOLZOI-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@@H]([NH3+])c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640868397 493141185 /nfs/dbraw/zinc/14/11/85/493141185.db2.gz GAPLERPURYZHTM-OAHLLOKOSA-N 2 1 364.494 0.839 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000659096768 493150243 /nfs/dbraw/zinc/15/02/43/493150243.db2.gz ISPXHMIDMFWLLY-UHFFFAOYSA-N 2 1 362.474 0.696 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000627325396 493154803 /nfs/dbraw/zinc/15/48/03/493154803.db2.gz IASSTBORECJVQT-NTZNESFSSA-N 2 1 362.396 0.325 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627336758 493159966 /nfs/dbraw/zinc/15/99/66/493159966.db2.gz JFVOJGAKERDMTJ-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641072463 493165814 /nfs/dbraw/zinc/16/58/14/493165814.db2.gz JRTJIJNIZUNEMG-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641072463 493165817 /nfs/dbraw/zinc/16/58/17/493165817.db2.gz JRTJIJNIZUNEMG-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627358074 493174237 /nfs/dbraw/zinc/17/42/37/493174237.db2.gz ZZGVXHBPDMKIFC-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CN(CCC[NH3+])Cc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641180850 493176836 /nfs/dbraw/zinc/17/68/36/493176836.db2.gz MPRDIHMSIBYXHT-UHFFFAOYSA-N 2 1 358.490 0.939 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641214250 493181568 /nfs/dbraw/zinc/18/15/68/493181568.db2.gz AYXKDEIDZSNVQM-GOSISDBHSA-N 2 1 355.446 0.475 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000627372322 493184396 /nfs/dbraw/zinc/18/43/96/493184396.db2.gz JYVBAYWFKRJVEZ-MDZLAQPJSA-N 2 1 364.412 0.571 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000659501165 493200498 /nfs/dbraw/zinc/20/04/98/493200498.db2.gz XETOYJSDGNKXPB-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000659501165 493200503 /nfs/dbraw/zinc/20/05/03/493200503.db2.gz XETOYJSDGNKXPB-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000659501165 493200508 /nfs/dbraw/zinc/20/05/08/493200508.db2.gz XETOYJSDGNKXPB-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000659501165 493200511 /nfs/dbraw/zinc/20/05/11/493200511.db2.gz XETOYJSDGNKXPB-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000627393690 493200605 /nfs/dbraw/zinc/20/06/05/493200605.db2.gz ICRMCCOEWSNGSF-KRWDZBQOSA-N 2 1 364.465 0.830 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000659548970 493211493 /nfs/dbraw/zinc/21/14/93/493211493.db2.gz JPUHURGGTWNFJT-ZWKOTPCHSA-N 2 1 362.474 0.431 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659621141 493221641 /nfs/dbraw/zinc/22/16/41/493221641.db2.gz WVBUNZOIQFOVHX-UHFFFAOYSA-N 2 1 351.495 0.324 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659621141 493221643 /nfs/dbraw/zinc/22/16/43/493221643.db2.gz WVBUNZOIQFOVHX-UHFFFAOYSA-N 2 1 351.495 0.324 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639957 493223822 /nfs/dbraw/zinc/22/38/22/493223822.db2.gz PTDCSCVQAHWZDM-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639957 493223825 /nfs/dbraw/zinc/22/38/25/493223825.db2.gz PTDCSCVQAHWZDM-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666969830 493243380 /nfs/dbraw/zinc/24/33/80/493243380.db2.gz CKNGGRWFXHPWDI-MSOLQXFVSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978220 493245726 /nfs/dbraw/zinc/24/57/26/493245726.db2.gz UQQLUOHMTDNCPL-SJORKVTESA-N 2 1 354.495 0.386 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659682080 493248701 /nfs/dbraw/zinc/24/87/01/493248701.db2.gz GSEKUBAKDKRORP-CVEARBPZSA-N 2 1 368.522 0.627 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659682262 493248810 /nfs/dbraw/zinc/24/88/10/493248810.db2.gz IHIBTCSRICRLNC-LSDHHAIUSA-N 2 1 356.511 0.435 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000659697284 493258803 /nfs/dbraw/zinc/25/88/03/493258803.db2.gz SIJKVZKRQQRTIP-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000659697284 493258807 /nfs/dbraw/zinc/25/88/07/493258807.db2.gz SIJKVZKRQQRTIP-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672876531 493261204 /nfs/dbraw/zinc/26/12/04/493261204.db2.gz IRIFAPUTJJXPQB-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672876531 493261206 /nfs/dbraw/zinc/26/12/06/493261206.db2.gz IRIFAPUTJJXPQB-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000672876531 493261210 /nfs/dbraw/zinc/26/12/10/493261210.db2.gz IRIFAPUTJJXPQB-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC000667181629 493264814 /nfs/dbraw/zinc/26/48/14/493264814.db2.gz HXPWNKPOOIHNDS-CHWSQXEVSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[nH]n1 ZINC000667181629 493264817 /nfs/dbraw/zinc/26/48/17/493264817.db2.gz HXPWNKPOOIHNDS-CHWSQXEVSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[nH]n1 ZINC000667181629 493264820 /nfs/dbraw/zinc/26/48/20/493264820.db2.gz HXPWNKPOOIHNDS-CHWSQXEVSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc2c[nH+]cn2c1 ZINC000641669916 493275527 /nfs/dbraw/zinc/27/55/27/493275527.db2.gz NVBFMDNZULXSPT-QGZVFWFLSA-N 2 1 357.458 0.861 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc2c[nH+]cn2c1 ZINC000641669915 493275662 /nfs/dbraw/zinc/27/56/62/493275662.db2.gz NVBFMDNZULXSPT-KRWDZBQOSA-N 2 1 357.458 0.861 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670888 493276224 /nfs/dbraw/zinc/27/62/24/493276224.db2.gz RCRXCWVAJUMNQL-IRXDYDNUSA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670888 493276229 /nfs/dbraw/zinc/27/62/29/493276229.db2.gz RCRXCWVAJUMNQL-IRXDYDNUSA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670888 493276234 /nfs/dbraw/zinc/27/62/34/493276234.db2.gz RCRXCWVAJUMNQL-IRXDYDNUSA-N 2 1 370.563 0.337 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000659732254 493277686 /nfs/dbraw/zinc/27/76/86/493277686.db2.gz UMWRDULORCUKPT-QYZOEREBSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000659738029 493279944 /nfs/dbraw/zinc/27/99/44/493279944.db2.gz YARHFAGVVKMMAY-OFQRWUPVSA-N 2 1 352.479 0.084 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000659739081 493280371 /nfs/dbraw/zinc/28/03/71/493280371.db2.gz MXFKCRWVUGNEKR-JLJPHGGASA-N 2 1 362.449 0.679 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739457 493280592 /nfs/dbraw/zinc/28/05/92/493280592.db2.gz USXHPLIXALAZLC-IAGOWNOFSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1cncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000682229124 493280952 /nfs/dbraw/zinc/28/09/52/493280952.db2.gz JTRNWUBCDRPIMH-QGZVFWFLSA-N 2 1 359.474 0.955 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750518 493286036 /nfs/dbraw/zinc/28/60/36/493286036.db2.gz CLUSSCMWCJUTGV-WBVHZDCISA-N 2 1 361.490 0.619 20 0 FCADMP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000682613285 493313805 /nfs/dbraw/zinc/31/38/05/493313805.db2.gz HLHFEOYPRKBWNT-KRWDZBQOSA-N 2 1 355.527 0.375 20 0 FCADMP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682613285 493313807 /nfs/dbraw/zinc/31/38/07/493313807.db2.gz HLHFEOYPRKBWNT-KRWDZBQOSA-N 2 1 355.527 0.375 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337272 493319070 /nfs/dbraw/zinc/31/90/70/493319070.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337272 493319074 /nfs/dbraw/zinc/31/90/74/493319074.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337272 493319078 /nfs/dbraw/zinc/31/90/78/493319078.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673337272 493319080 /nfs/dbraw/zinc/31/90/80/493319080.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673337272 493319083 /nfs/dbraw/zinc/31/90/83/493319083.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000673427652 493327412 /nfs/dbraw/zinc/32/74/12/493327412.db2.gz CCLWRANVXGPKHV-SJORKVTESA-N 2 1 368.522 0.593 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC000660163333 493331340 /nfs/dbraw/zinc/33/13/40/493331340.db2.gz ODNRHSZCLPBNPJ-HOTGVXAUSA-N 2 1 359.474 0.671 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC000660163333 493331343 /nfs/dbraw/zinc/33/13/43/493331343.db2.gz ODNRHSZCLPBNPJ-HOTGVXAUSA-N 2 1 359.474 0.671 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660627462 493368153 /nfs/dbraw/zinc/36/81/53/493368153.db2.gz GTPUCJRHPRIRRI-UHFFFAOYSA-N 2 1 368.522 0.236 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660627462 493368157 /nfs/dbraw/zinc/36/81/57/493368157.db2.gz GTPUCJRHPRIRRI-UHFFFAOYSA-N 2 1 368.522 0.236 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872311 493369891 /nfs/dbraw/zinc/36/98/91/493369891.db2.gz DEUBFOUAKDKRMN-HNNXBMFYSA-N 2 1 362.478 0.214 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979982 493379533 /nfs/dbraw/zinc/37/95/33/493379533.db2.gz KVDSSHBOEUOVEI-YJBOKZPZSA-N 2 1 369.579 0.891 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979982 493379536 /nfs/dbraw/zinc/37/95/36/493379536.db2.gz KVDSSHBOEUOVEI-YJBOKZPZSA-N 2 1 369.579 0.891 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000668584453 493379709 /nfs/dbraw/zinc/37/97/09/493379709.db2.gz CULXDOTYPZZEPT-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585544 493380023 /nfs/dbraw/zinc/38/00/23/493380023.db2.gz PPDZMJIJHARBRY-ZACQAIPSSA-N 2 1 364.490 0.099 20 0 FCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000668657369 493392317 /nfs/dbraw/zinc/39/23/17/493392317.db2.gz ONCKGDWOGUDXJE-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657369 493392320 /nfs/dbraw/zinc/39/23/20/493392320.db2.gz ONCKGDWOGUDXJE-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657369 493392322 /nfs/dbraw/zinc/39/23/22/493392322.db2.gz ONCKGDWOGUDXJE-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000660932433 493393874 /nfs/dbraw/zinc/39/38/74/493393874.db2.gz WXQODCIDQGWORY-MAUKXSAKSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000660932433 493393877 /nfs/dbraw/zinc/39/38/77/493393877.db2.gz WXQODCIDQGWORY-MAUKXSAKSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000668728082 493402434 /nfs/dbraw/zinc/40/24/34/493402434.db2.gz KTDGOFHYQAMPJM-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)cn2)CC1 ZINC000668741377 493404465 /nfs/dbraw/zinc/40/44/65/493404465.db2.gz RHBFHVMMYDRFOE-SFHVURJKSA-N 2 1 360.506 0.259 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC([N@H+]4CC[C@H](O)C4)CC3)cn2)CC1 ZINC000668741377 493404467 /nfs/dbraw/zinc/40/44/67/493404467.db2.gz RHBFHVMMYDRFOE-SFHVURJKSA-N 2 1 360.506 0.259 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180209 493416111 /nfs/dbraw/zinc/41/61/11/493416111.db2.gz NWBQUBFZAYRXET-OKZBNKHCSA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180209 493416114 /nfs/dbraw/zinc/41/61/14/493416114.db2.gz NWBQUBFZAYRXET-OKZBNKHCSA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180209 493416115 /nfs/dbraw/zinc/41/61/15/493416115.db2.gz NWBQUBFZAYRXET-OKZBNKHCSA-N 2 1 359.470 0.805 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827075 493416888 /nfs/dbraw/zinc/41/68/88/493416888.db2.gz PPTQCVCSJGFEAX-RDJZCZTQSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843692 493419880 /nfs/dbraw/zinc/41/98/80/493419880.db2.gz WISDRFUEIIKOTE-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661598072 493449471 /nfs/dbraw/zinc/44/94/71/493449471.db2.gz ODGPNRUCBLKULX-DFBDCSAJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661598072 493449475 /nfs/dbraw/zinc/44/94/75/493449475.db2.gz ODGPNRUCBLKULX-DFBDCSAJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661598072 493449478 /nfs/dbraw/zinc/44/94/78/493449478.db2.gz ODGPNRUCBLKULX-DFBDCSAJSA-N 2 1 362.518 0.966 20 0 FCADMP O=C1CC[C@@H]2C[N@@H+](C/C=C/C[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595785 493449762 /nfs/dbraw/zinc/44/97/62/493449762.db2.gz DYIFSUMIIDYSHG-RNSZLDOFSA-N 2 1 360.502 0.744 20 0 FCADMP O=C1CC[C@@H]2C[NH+](C/C=C/C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595785 493449764 /nfs/dbraw/zinc/44/97/64/493449764.db2.gz DYIFSUMIIDYSHG-RNSZLDOFSA-N 2 1 360.502 0.744 20 0 FCADMP O=C1CC[C@@H]2C[NH+](C/C=C/C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595785 493449766 /nfs/dbraw/zinc/44/97/66/493449766.db2.gz DYIFSUMIIDYSHG-RNSZLDOFSA-N 2 1 360.502 0.744 20 0 FCADMP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000674866615 493452788 /nfs/dbraw/zinc/45/27/88/493452788.db2.gz CQFSIGOQYOVITN-IBGZPJMESA-N 2 1 360.502 0.901 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000661663376 493456343 /nfs/dbraw/zinc/45/63/43/493456343.db2.gz UKZZKMSAHWYIBK-QGZVFWFLSA-N 2 1 369.554 0.317 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000661663376 493456345 /nfs/dbraw/zinc/45/63/45/493456345.db2.gz UKZZKMSAHWYIBK-QGZVFWFLSA-N 2 1 369.554 0.317 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000669147665 493468373 /nfs/dbraw/zinc/46/83/73/493468373.db2.gz BEKHCSFVAVUQTA-UHFFFAOYSA-N 2 1 359.474 0.625 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685304958 493473408 /nfs/dbraw/zinc/47/34/08/493473408.db2.gz RXNNOCHTDFQFKO-UWWQBHOKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685340304 493479788 /nfs/dbraw/zinc/47/97/88/493479788.db2.gz QBKNIDHWPXMDTJ-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685340304 493479790 /nfs/dbraw/zinc/47/97/90/493479790.db2.gz QBKNIDHWPXMDTJ-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685340322 493480378 /nfs/dbraw/zinc/48/03/78/493480378.db2.gz QDKBXRCFHOYGHC-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340322 493480381 /nfs/dbraw/zinc/48/03/81/493480381.db2.gz QDKBXRCFHOYGHC-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343572 493482356 /nfs/dbraw/zinc/48/23/56/493482356.db2.gz MWZVQBXUKLJMGZ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343572 493482360 /nfs/dbraw/zinc/48/23/60/493482360.db2.gz MWZVQBXUKLJMGZ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343615 493482862 /nfs/dbraw/zinc/48/28/62/493482862.db2.gz NLTQRTIVIGXGFX-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343615 493482866 /nfs/dbraw/zinc/48/28/66/493482866.db2.gz NLTQRTIVIGXGFX-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000669273727 493487866 /nfs/dbraw/zinc/48/78/66/493487866.db2.gz GGFBLZWTRBGNCQ-GVDBMIGSSA-N 2 1 366.506 0.081 20 0 FCADMP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260427 493500526 /nfs/dbraw/zinc/50/05/26/493500526.db2.gz LGSYBFGMAVWJFS-DLBZAZTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662261677 493500757 /nfs/dbraw/zinc/50/07/57/493500757.db2.gz MIBNQMGNTAOALG-KURKYZTESA-N 2 1 364.534 0.820 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260430 493500783 /nfs/dbraw/zinc/50/07/83/493500783.db2.gz LGSYBFGMAVWJFS-SJORKVTESA-N 2 1 350.507 0.526 20 0 FCADMP CN(C(=O)CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C1CCCCC1 ZINC000662261034 493500871 /nfs/dbraw/zinc/50/08/71/493500871.db2.gz FLHDWFIRHFFVHX-SFHVURJKSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000669396726 493502309 /nfs/dbraw/zinc/50/23/09/493502309.db2.gz CHLFSPRJGGWURK-YJBOKZPZSA-N 2 1 362.474 0.776 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296817 493504313 /nfs/dbraw/zinc/50/43/13/493504313.db2.gz NMRZZZPUTHEVDG-QZTJIDSGSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486471 493506602 /nfs/dbraw/zinc/50/66/02/493506602.db2.gz NETGBMNTFOXNJM-FUHWJXTLSA-N 2 1 353.511 0.082 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486426 493506616 /nfs/dbraw/zinc/50/66/16/493506616.db2.gz FATWCZZYJAXVGG-BBWFWOEESA-N 2 1 353.511 0.210 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662384711 493511822 /nfs/dbraw/zinc/51/18/22/493511822.db2.gz UMWOJVPZJUWKJM-UHFFFAOYSA-N 2 1 371.489 0.304 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662437932 493515176 /nfs/dbraw/zinc/51/51/76/493515176.db2.gz KEBZUJLNKPXVCB-LBPRGKRZSA-N 2 1 350.488 0.711 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)C1 ZINC000662463147 493517871 /nfs/dbraw/zinc/51/78/71/493517871.db2.gz VFRUBMBLCWLPBU-INIZCTEOSA-N 2 1 361.490 0.994 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662679747 493531369 /nfs/dbraw/zinc/53/13/69/493531369.db2.gz UJUDNQSJZLKSKM-QGZVFWFLSA-N 2 1 358.486 0.959 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662697227 493532400 /nfs/dbraw/zinc/53/24/00/493532400.db2.gz CKJWVPXQVHAZJP-IAGOWNOFSA-N 2 1 360.458 0.767 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662705980 493533159 /nfs/dbraw/zinc/53/31/59/493533159.db2.gz WQTHLIDGWJALOM-USXIJHARSA-N 2 1 374.489 0.576 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709236 493533875 /nfs/dbraw/zinc/53/38/75/493533875.db2.gz XWCJWORWLWCHKI-XIRDDKMYSA-N 2 1 360.458 0.686 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717605 493534142 /nfs/dbraw/zinc/53/41/42/493534142.db2.gz PVSCSVCSUUJTEV-SQNIBIBYSA-N 2 1 374.485 0.364 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC000662721944 493534830 /nfs/dbraw/zinc/53/48/30/493534830.db2.gz FTCMPVVINKXETH-IRXDYDNUSA-N 2 1 366.506 0.143 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662756488 493539644 /nfs/dbraw/zinc/53/96/44/493539644.db2.gz IFACFXTZMVWGHH-IRXDYDNUSA-N 2 1 350.438 0.428 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000662775326 493540971 /nfs/dbraw/zinc/54/09/71/493540971.db2.gz XLRWRPGKQCXONA-NVXWUHKLSA-N 2 1 355.446 0.774 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662819508 493545034 /nfs/dbraw/zinc/54/50/34/493545034.db2.gz LASDUYFFHMBWRH-OAHLLOKOSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCN3CCNC3=O)CC2)C[C@H](C)O1 ZINC000676403971 493549910 /nfs/dbraw/zinc/54/99/10/493549910.db2.gz FLLCCLYICXCYEI-IYBDPMFKSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCN3CCNC3=O)CC2)C[C@H](C)O1 ZINC000676403971 493549912 /nfs/dbraw/zinc/54/99/12/493549912.db2.gz FLLCCLYICXCYEI-IYBDPMFKSA-N 2 1 354.495 0.602 20 0 FCADMP COCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000662901337 493550147 /nfs/dbraw/zinc/55/01/47/493550147.db2.gz VNNRYYXEWLSIBY-KRWDZBQOSA-N 2 1 352.523 0.630 20 0 FCADMP COCC1(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000662901337 493550148 /nfs/dbraw/zinc/55/01/48/493550148.db2.gz VNNRYYXEWLSIBY-KRWDZBQOSA-N 2 1 352.523 0.630 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000662941157 493557847 /nfs/dbraw/zinc/55/78/47/493557847.db2.gz OIKSBKMNCXFGAZ-CALCHBBNSA-N 2 1 358.486 0.773 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085102 493570121 /nfs/dbraw/zinc/57/01/21/493570121.db2.gz MALIYYAVPRHFLR-WMLDXEAASA-N 2 1 362.474 0.830 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085102 493570123 /nfs/dbraw/zinc/57/01/23/493570123.db2.gz MALIYYAVPRHFLR-WMLDXEAASA-N 2 1 362.474 0.830 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000670526186 493577239 /nfs/dbraw/zinc/57/72/39/493577239.db2.gz VOFRJJPZGNPGGK-LSDHHAIUSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607668 493580841 /nfs/dbraw/zinc/58/08/41/493580841.db2.gz BVYZFHSCMATYAZ-RTBURBONSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670663334 493586379 /nfs/dbraw/zinc/58/63/79/493586379.db2.gz RJIQGDRDNDJAMY-CVEARBPZSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670663334 493586381 /nfs/dbraw/zinc/58/63/81/493586381.db2.gz RJIQGDRDNDJAMY-CVEARBPZSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000677794361 493616493 /nfs/dbraw/zinc/61/64/93/493616493.db2.gz NYWKQEKHGAVPBW-RBUKOAKNSA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000677794361 493616495 /nfs/dbraw/zinc/61/64/95/493616495.db2.gz NYWKQEKHGAVPBW-RBUKOAKNSA-N 2 1 360.502 0.233 20 0 FCADMP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000677810918 493617134 /nfs/dbraw/zinc/61/71/34/493617134.db2.gz QKFUSDCTMAPDIZ-HOCLYGCPSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677810918 493617135 /nfs/dbraw/zinc/61/71/35/493617135.db2.gz QKFUSDCTMAPDIZ-HOCLYGCPSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000670984523 493619521 /nfs/dbraw/zinc/61/95/21/493619521.db2.gz ORDHORHHAMFKPL-MRXNPFEDSA-N 2 1 359.474 0.578 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000670997866 493622025 /nfs/dbraw/zinc/62/20/25/493622025.db2.gz IPYHASGYLYHQLB-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671100731 493632920 /nfs/dbraw/zinc/63/29/20/493632920.db2.gz KUBOFIJKXXBYDZ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671100739 493633021 /nfs/dbraw/zinc/63/30/21/493633021.db2.gz KUBOFIJKXXBYDZ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000671106626 493635868 /nfs/dbraw/zinc/63/58/68/493635868.db2.gz HZFCDCDMOPIQND-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000671109294 493636247 /nfs/dbraw/zinc/63/62/47/493636247.db2.gz UEORFYVNRVZRLI-SJORKVTESA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000671109294 493636250 /nfs/dbraw/zinc/63/62/50/493636250.db2.gz UEORFYVNRVZRLI-SJORKVTESA-N 2 1 371.485 0.782 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000671171263 493645119 /nfs/dbraw/zinc/64/51/19/493645119.db2.gz LHUKNTYYCDOSGB-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671365592 493660847 /nfs/dbraw/zinc/66/08/47/493660847.db2.gz AMEFNEKZNSCOLY-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671365592 493660848 /nfs/dbraw/zinc/66/08/48/493660848.db2.gz AMEFNEKZNSCOLY-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404577 493666786 /nfs/dbraw/zinc/66/67/86/493666786.db2.gz NUKXQTMBTYXDRE-IAGOWNOFSA-N 2 1 373.501 0.967 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380483 493677893 /nfs/dbraw/zinc/67/78/93/493677893.db2.gz IPBFHJRMKHRZRW-IXDOHACOSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380483 493677894 /nfs/dbraw/zinc/67/78/94/493677894.db2.gz IPBFHJRMKHRZRW-IXDOHACOSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380483 493677896 /nfs/dbraw/zinc/67/78/96/493677896.db2.gz IPBFHJRMKHRZRW-IXDOHACOSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010236 493723901 /nfs/dbraw/zinc/72/39/01/493723901.db2.gz MPARPUBOLJUKLX-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000672012960 493724683 /nfs/dbraw/zinc/72/46/83/493724683.db2.gz DXLPKMWOQUWYIK-UAGQMJEPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665759162 493733271 /nfs/dbraw/zinc/73/32/71/493733271.db2.gz JFVHGDRIFPXRCM-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000672305815 493752195 /nfs/dbraw/zinc/75/21/95/493752195.db2.gz FCQFXXIHSLVKLC-ROUUACIJSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305726 493752284 /nfs/dbraw/zinc/75/22/84/493752284.db2.gz BEIPGDAEGIJPEU-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724983 527745171 /nfs/dbraw/zinc/74/51/71/527745171.db2.gz MIGRMKHRFJDAFX-MWDXBVQZSA-N 2 1 368.522 0.231 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724983 527745176 /nfs/dbraw/zinc/74/51/76/527745176.db2.gz MIGRMKHRFJDAFX-MWDXBVQZSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724983 527745181 /nfs/dbraw/zinc/74/51/81/527745181.db2.gz MIGRMKHRFJDAFX-MWDXBVQZSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724983 527745184 /nfs/dbraw/zinc/74/51/84/527745184.db2.gz MIGRMKHRFJDAFX-MWDXBVQZSA-N 2 1 368.522 0.231 20 0 FCADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000412651882 527767905 /nfs/dbraw/zinc/76/79/05/527767905.db2.gz DISWHKZCTYTIHA-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000412651882 527767910 /nfs/dbraw/zinc/76/79/10/527767910.db2.gz DISWHKZCTYTIHA-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000412651882 527767915 /nfs/dbraw/zinc/76/79/15/527767915.db2.gz DISWHKZCTYTIHA-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000412651882 527767922 /nfs/dbraw/zinc/76/79/22/527767922.db2.gz DISWHKZCTYTIHA-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C ZINC000410728067 527816163 /nfs/dbraw/zinc/81/61/63/527816163.db2.gz COPFCBHLZIUHKT-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C ZINC000410728067 527816168 /nfs/dbraw/zinc/81/61/68/527816168.db2.gz COPFCBHLZIUHKT-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000410721625 527822848 /nfs/dbraw/zinc/82/28/48/527822848.db2.gz XETLOKUOTPICBQ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000410721625 527822852 /nfs/dbraw/zinc/82/28/52/527822852.db2.gz XETLOKUOTPICBQ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410699787 527844946 /nfs/dbraw/zinc/84/49/46/527844946.db2.gz QWGBEJFIJKMRDT-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410699787 527844959 /nfs/dbraw/zinc/84/49/59/527844959.db2.gz QWGBEJFIJKMRDT-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410699787 527844966 /nfs/dbraw/zinc/84/49/66/527844966.db2.gz QWGBEJFIJKMRDT-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410699787 527844970 /nfs/dbraw/zinc/84/49/70/527844970.db2.gz QWGBEJFIJKMRDT-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410704135 527846479 /nfs/dbraw/zinc/84/64/79/527846479.db2.gz YWEVXIONSGFXCE-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410704135 527846482 /nfs/dbraw/zinc/84/64/82/527846482.db2.gz YWEVXIONSGFXCE-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@@H]1C ZINC000410704748 527964221 /nfs/dbraw/zinc/96/42/21/527964221.db2.gz SVRFIORVDRPKSM-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@@H]1C ZINC000410704748 527964226 /nfs/dbraw/zinc/96/42/26/527964226.db2.gz SVRFIORVDRPKSM-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@@H]1C ZINC000410704748 527964230 /nfs/dbraw/zinc/96/42/30/527964230.db2.gz SVRFIORVDRPKSM-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@@H]1C ZINC000410704748 527964235 /nfs/dbraw/zinc/96/42/35/527964235.db2.gz SVRFIORVDRPKSM-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000410700258 527965090 /nfs/dbraw/zinc/96/50/90/527965090.db2.gz JOFZMVXPLYUHNS-TXPKVOOTSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000410700258 527965093 /nfs/dbraw/zinc/96/50/93/527965093.db2.gz JOFZMVXPLYUHNS-TXPKVOOTSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@@H]1C ZINC000410700258 527965097 /nfs/dbraw/zinc/96/50/97/527965097.db2.gz JOFZMVXPLYUHNS-TXPKVOOTSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000410700258 527965102 /nfs/dbraw/zinc/96/51/02/527965102.db2.gz JOFZMVXPLYUHNS-TXPKVOOTSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410775111 528101549 /nfs/dbraw/zinc/10/15/49/528101549.db2.gz KAKXGYACOAYQRK-CALCHBBNSA-N 2 1 370.538 0.480 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410775111 528101554 /nfs/dbraw/zinc/10/15/54/528101554.db2.gz KAKXGYACOAYQRK-CALCHBBNSA-N 2 1 370.538 0.480 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410776917 528101624 /nfs/dbraw/zinc/10/16/24/528101624.db2.gz SVPPJAGZKTWPTQ-UHFFFAOYSA-N 2 1 370.538 0.482 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410503273 528122427 /nfs/dbraw/zinc/12/24/27/528122427.db2.gz MJLGXVJWWVDIHH-LJQANCHMSA-N 2 1 368.522 0.357 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000410812652 528432766 /nfs/dbraw/zinc/43/27/66/528432766.db2.gz UZZQDSBLICXHQC-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000410727354 528716970 /nfs/dbraw/zinc/71/69/70/528716970.db2.gz ASTNTWPUVSJXNT-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC[N@H+]1C ZINC000410727354 528716972 /nfs/dbraw/zinc/71/69/72/528716972.db2.gz ASTNTWPUVSJXNT-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000410727354 528716976 /nfs/dbraw/zinc/71/69/76/528716976.db2.gz ASTNTWPUVSJXNT-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC[NH+]1C ZINC000410727354 528716980 /nfs/dbraw/zinc/71/69/80/528716980.db2.gz ASTNTWPUVSJXNT-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000410694865 528738870 /nfs/dbraw/zinc/73/88/70/528738870.db2.gz DNWRDHDNIDFEFK-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000410694865 528738873 /nfs/dbraw/zinc/73/88/73/528738873.db2.gz DNWRDHDNIDFEFK-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410694865 528738880 /nfs/dbraw/zinc/73/88/80/528738880.db2.gz DNWRDHDNIDFEFK-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410694865 528738883 /nfs/dbraw/zinc/73/88/83/528738883.db2.gz DNWRDHDNIDFEFK-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410887088 528890869 /nfs/dbraw/zinc/89/08/69/528890869.db2.gz PODVSTRKDQWHDD-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000411030768 529074218 /nfs/dbraw/zinc/07/42/18/529074218.db2.gz RUGXUDYUTJUGOW-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000411030768 529074221 /nfs/dbraw/zinc/07/42/21/529074221.db2.gz RUGXUDYUTJUGOW-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000411030768 529074226 /nfs/dbraw/zinc/07/42/26/529074226.db2.gz RUGXUDYUTJUGOW-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019372 529074532 /nfs/dbraw/zinc/07/45/32/529074532.db2.gz FINBTXVSTMNDCU-HOTGVXAUSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019372 529074533 /nfs/dbraw/zinc/07/45/33/529074533.db2.gz FINBTXVSTMNDCU-HOTGVXAUSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019372 529074538 /nfs/dbraw/zinc/07/45/38/529074538.db2.gz FINBTXVSTMNDCU-HOTGVXAUSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019372 529074539 /nfs/dbraw/zinc/07/45/39/529074539.db2.gz FINBTXVSTMNDCU-HOTGVXAUSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419421082 535043076 /nfs/dbraw/zinc/04/30/76/535043076.db2.gz KVNBEVLDVJPCKD-GOSISDBHSA-N 2 1 372.513 0.911 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419971206 535067359 /nfs/dbraw/zinc/06/73/59/535067359.db2.gz DEUADCLRHDKLIO-XUWVNRHRSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419971206 535067366 /nfs/dbraw/zinc/06/73/66/535067366.db2.gz DEUADCLRHDKLIO-XUWVNRHRSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419697105 535073609 /nfs/dbraw/zinc/07/36/09/535073609.db2.gz NUJZRLJMBYUHFS-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419155870 535081629 /nfs/dbraw/zinc/08/16/29/535081629.db2.gz SENOFENFQKKYNH-XMTFNYHQSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419131302 535200921 /nfs/dbraw/zinc/20/09/21/535200921.db2.gz CJAXXIFFFVWXIU-CYBMUJFWSA-N 2 1 352.504 0.930 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC[N@@H+]1CCOC ZINC000423650003 535426124 /nfs/dbraw/zinc/42/61/24/535426124.db2.gz KFUMAAPKSJPUAA-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC[N@H+]1CCOC ZINC000423650003 535426128 /nfs/dbraw/zinc/42/61/28/535426128.db2.gz KFUMAAPKSJPUAA-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446378913 535695828 /nfs/dbraw/zinc/69/58/28/535695828.db2.gz XQJHNQBSTFCHOK-TXPKVOOTSA-N 2 1 352.523 0.663 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419822491 535710510 /nfs/dbraw/zinc/71/05/10/535710510.db2.gz LOMDWFVHSODTAN-IXDOHACOSA-N 2 1 367.538 0.105 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000423517201 535733395 /nfs/dbraw/zinc/73/33/95/535733395.db2.gz BGOTYZFKMRBXIY-IRXDYDNUSA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000423517201 535733399 /nfs/dbraw/zinc/73/33/99/535733399.db2.gz BGOTYZFKMRBXIY-IRXDYDNUSA-N 2 1 368.522 0.533 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(=O)OC ZINC000420377492 535959554 /nfs/dbraw/zinc/95/95/54/535959554.db2.gz LDBMMGNXUVUIBH-DHXZDTOLSA-N 2 1 369.506 0.909 20 0 FCADMP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423711246 535972365 /nfs/dbraw/zinc/97/23/65/535972365.db2.gz MASKKULQVDXDSA-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423780269 536302155 /nfs/dbraw/zinc/30/21/55/536302155.db2.gz GHXLDYKXZNRUIO-CJNGLKHVSA-N 2 1 351.422 0.964 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415313040 536369229 /nfs/dbraw/zinc/36/92/29/536369229.db2.gz DFKHOUBJSFRFDG-QGZVFWFLSA-N 2 1 360.458 0.320 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000423666506 536376665 /nfs/dbraw/zinc/37/66/65/536376665.db2.gz MJAPGXPHTNAZCB-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890986 536449123 /nfs/dbraw/zinc/44/91/23/536449123.db2.gz JEWLJOXTTGNBQA-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000414798505 536812953 /nfs/dbraw/zinc/81/29/53/536812953.db2.gz JKELVRAOWKQSFP-MRXNPFEDSA-N 2 1 363.458 0.760 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000127986250 546564977 /nfs/dbraw/zinc/56/49/77/546564977.db2.gz DLKFOLFWCBBNKL-HUUCEWRRSA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000127986250 546564980 /nfs/dbraw/zinc/56/49/80/546564980.db2.gz DLKFOLFWCBBNKL-HUUCEWRRSA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000127986250 546564984 /nfs/dbraw/zinc/56/49/84/546564984.db2.gz DLKFOLFWCBBNKL-HUUCEWRRSA-N 2 1 354.520 0.364 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC000948412881 674376992 /nfs/dbraw/zinc/37/69/92/674376992.db2.gz CMZKMRCUTDERLO-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000948412881 674376994 /nfs/dbraw/zinc/37/69/94/674376994.db2.gz CMZKMRCUTDERLO-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC000948412881 674376995 /nfs/dbraw/zinc/37/69/95/674376995.db2.gz CMZKMRCUTDERLO-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015218 546771324 /nfs/dbraw/zinc/77/13/24/546771324.db2.gz XXGZCWPLDKPBGW-KURKYZTESA-N 2 1 350.459 0.814 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015218 546771330 /nfs/dbraw/zinc/77/13/30/546771330.db2.gz XXGZCWPLDKPBGW-KURKYZTESA-N 2 1 350.459 0.814 20 0 FCADMP CCOC(=O)[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000594335944 546784838 /nfs/dbraw/zinc/78/48/38/546784838.db2.gz YXLNKDVDLPJLFQ-INIZCTEOSA-N 2 1 355.479 0.223 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000332705706 546854409 /nfs/dbraw/zinc/85/44/09/546854409.db2.gz WAOOQZRFBUIALD-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574181 547041059 /nfs/dbraw/zinc/04/10/59/547041059.db2.gz LDKBMPWQRSTOEI-KBXCAEBGSA-N 2 1 355.479 0.223 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574181 547041066 /nfs/dbraw/zinc/04/10/66/547041066.db2.gz LDKBMPWQRSTOEI-KBXCAEBGSA-N 2 1 355.479 0.223 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000549877999 547072735 /nfs/dbraw/zinc/07/27/35/547072735.db2.gz QJWIKLZPTSXPCH-CYBMUJFWSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550272895 547081744 /nfs/dbraw/zinc/08/17/44/547081744.db2.gz HMXFDJSEGGMVNQ-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550654457 547093699 /nfs/dbraw/zinc/09/36/99/547093699.db2.gz OTIAERAVOGVLMU-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000550714992 547099659 /nfs/dbraw/zinc/09/96/59/547099659.db2.gz GTNGBUGQEKOKKA-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000550839302 547110826 /nfs/dbraw/zinc/11/08/26/547110826.db2.gz XIRXXGPMEVLXPO-PBHICJAKSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000550839302 547110832 /nfs/dbraw/zinc/11/08/32/547110832.db2.gz XIRXXGPMEVLXPO-PBHICJAKSA-N 2 1 356.536 0.339 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@H]1C ZINC000550952358 547117586 /nfs/dbraw/zinc/11/75/86/547117586.db2.gz SALLWYHROGUBMU-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+](C)CCOC)C[C@H]1C ZINC000550952358 547117589 /nfs/dbraw/zinc/11/75/89/547117589.db2.gz SALLWYHROGUBMU-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+](C)CCOC)C[C@H]1C ZINC000550952358 547117594 /nfs/dbraw/zinc/11/75/94/547117594.db2.gz SALLWYHROGUBMU-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280336 547138910 /nfs/dbraw/zinc/13/89/10/547138910.db2.gz NUVMHUMKSJCSFL-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000552634830 547220884 /nfs/dbraw/zinc/22/08/84/547220884.db2.gz OUILUOGNEXADGE-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000553037941 547248596 /nfs/dbraw/zinc/24/85/96/547248596.db2.gz MLGIRJBDMDFTPW-HOCLYGCPSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000553394428 547275515 /nfs/dbraw/zinc/27/55/15/547275515.db2.gz OVULHAYNLXWCNG-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000553394428 547275518 /nfs/dbraw/zinc/27/55/18/547275518.db2.gz OVULHAYNLXWCNG-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000553394428 547275522 /nfs/dbraw/zinc/27/55/22/547275522.db2.gz OVULHAYNLXWCNG-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000477059289 547364636 /nfs/dbraw/zinc/36/46/36/547364636.db2.gz BMPCRLQEOQDGCQ-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000477059289 547364642 /nfs/dbraw/zinc/36/46/42/547364642.db2.gz BMPCRLQEOQDGCQ-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000477059288 547364804 /nfs/dbraw/zinc/36/48/04/547364804.db2.gz BMPCRLQEOQDGCQ-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000477059288 547364808 /nfs/dbraw/zinc/36/48/08/547364808.db2.gz BMPCRLQEOQDGCQ-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](C[C@@H](C)O)CC3)C2)CC[N@H+]1C ZINC000949098777 674394224 /nfs/dbraw/zinc/39/42/24/674394224.db2.gz DPZVZVITPRYYGD-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000949858311 674414335 /nfs/dbraw/zinc/41/43/35/674414335.db2.gz BEUHUJMFUADFAA-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949887533 674415103 /nfs/dbraw/zinc/41/51/03/674415103.db2.gz YZXIQRHNOPICCF-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC000950243968 674423088 /nfs/dbraw/zinc/42/30/88/674423088.db2.gz QULNDWMYFTWLAJ-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845766 598814563 /nfs/dbraw/zinc/81/45/63/598814563.db2.gz NAIRYVCGMYHSQG-KRWDZBQOSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845766 598814564 /nfs/dbraw/zinc/81/45/64/598814564.db2.gz NAIRYVCGMYHSQG-KRWDZBQOSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845766 598814565 /nfs/dbraw/zinc/81/45/65/598814565.db2.gz NAIRYVCGMYHSQG-KRWDZBQOSA-N 2 1 369.473 0.853 20 0 FCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161269 599644601 /nfs/dbraw/zinc/64/46/01/599644601.db2.gz XZBWODKKLDNQLH-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161269 599644602 /nfs/dbraw/zinc/64/46/02/599644602.db2.gz XZBWODKKLDNQLH-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161269 599644603 /nfs/dbraw/zinc/64/46/03/599644603.db2.gz XZBWODKKLDNQLH-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161269 599644604 /nfs/dbraw/zinc/64/46/04/599644604.db2.gz XZBWODKKLDNQLH-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000953978126 674487411 /nfs/dbraw/zinc/48/74/11/674487411.db2.gz DYVJPARMACMWLA-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000953978126 674487412 /nfs/dbraw/zinc/48/74/12/674487412.db2.gz DYVJPARMACMWLA-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000953978126 674487414 /nfs/dbraw/zinc/48/74/14/674487414.db2.gz DYVJPARMACMWLA-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000957166208 674538898 /nfs/dbraw/zinc/53/88/98/674538898.db2.gz JSAAWTCFPSVOMC-IDHHARJASA-N 2 1 350.507 0.776 20 0 FCADMP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898207255 665806825 /nfs/dbraw/zinc/80/68/25/665806825.db2.gz HCMDQCKTJIHZCW-DLBZAZTESA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000990002499 665836974 /nfs/dbraw/zinc/83/69/74/665836974.db2.gz TYNXYCUTFHUSDG-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000990002499 665836977 /nfs/dbraw/zinc/83/69/77/665836977.db2.gz TYNXYCUTFHUSDG-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000990002499 665836980 /nfs/dbraw/zinc/83/69/80/665836980.db2.gz TYNXYCUTFHUSDG-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000990006383 665838103 /nfs/dbraw/zinc/83/81/03/665838103.db2.gz SMROBVVEGYMUHP-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000990006383 665838106 /nfs/dbraw/zinc/83/81/06/665838106.db2.gz SMROBVVEGYMUHP-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000990006383 665838109 /nfs/dbraw/zinc/83/81/09/665838109.db2.gz SMROBVVEGYMUHP-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000969123548 663139405 /nfs/dbraw/zinc/13/94/05/663139405.db2.gz LPWZASBAUSKRLF-UUAJXVIYSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC000990763645 665930618 /nfs/dbraw/zinc/93/06/18/665930618.db2.gz OPGFUVIWJFDHGN-CYJAXWMASA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763645 665930619 /nfs/dbraw/zinc/93/06/19/665930619.db2.gz OPGFUVIWJFDHGN-CYJAXWMASA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763645 665930621 /nfs/dbraw/zinc/93/06/21/665930621.db2.gz OPGFUVIWJFDHGN-CYJAXWMASA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC000891236735 663335501 /nfs/dbraw/zinc/33/55/01/663335501.db2.gz CDYQSDSPYKKIAJ-JYJNAYRXSA-N 2 1 354.495 0.853 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC001021941733 663381081 /nfs/dbraw/zinc/38/10/81/663381081.db2.gz RUAINRVUTFSFNA-USXIJHARSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022103721 663404726 /nfs/dbraw/zinc/40/47/26/663404726.db2.gz MIGRPHKACDKYEG-DGXTUMSLSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022109408 663406098 /nfs/dbraw/zinc/40/60/98/663406098.db2.gz MKWWFBIWISQGMY-ZOFXXKQRSA-N 2 1 371.547 0.778 20 0 FCADMP C[N@H+](CCO)CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000899736475 665959742 /nfs/dbraw/zinc/95/97/42/665959742.db2.gz GOTKSPJJZKPVAZ-UHFFFAOYSA-N 2 1 358.483 0.016 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000899736475 665959743 /nfs/dbraw/zinc/95/97/43/665959743.db2.gz GOTKSPJJZKPVAZ-UHFFFAOYSA-N 2 1 358.483 0.016 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC000891582870 663416659 /nfs/dbraw/zinc/41/66/59/663416659.db2.gz IJTNXGUEJSEHJD-JHJVBQTASA-N 2 1 352.401 0.733 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC000891600573 663417825 /nfs/dbraw/zinc/41/78/25/663417825.db2.gz CRVIVRPTAZKAGO-RDBSUJKOSA-N 2 1 365.444 0.649 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000891730794 663431598 /nfs/dbraw/zinc/43/15/98/663431598.db2.gz ZMBCODKKTKIJMN-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847654 663444662 /nfs/dbraw/zinc/44/46/62/663444662.db2.gz RVYPCMJEUHHEBI-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847654 663444664 /nfs/dbraw/zinc/44/46/64/663444664.db2.gz RVYPCMJEUHHEBI-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847654 663444666 /nfs/dbraw/zinc/44/46/66/663444666.db2.gz RVYPCMJEUHHEBI-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000891930686 663451360 /nfs/dbraw/zinc/45/13/60/663451360.db2.gz YQXPRWUKHWBPKA-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000891930686 663451362 /nfs/dbraw/zinc/45/13/62/663451362.db2.gz YQXPRWUKHWBPKA-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000891930686 663451364 /nfs/dbraw/zinc/45/13/64/663451364.db2.gz YQXPRWUKHWBPKA-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000891951857 663453898 /nfs/dbraw/zinc/45/38/98/663453898.db2.gz AHOBDUHUYOOXSI-INIZCTEOSA-N 2 1 354.495 0.781 20 0 FCADMP CCC1([NH3+])CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000891952500 663454144 /nfs/dbraw/zinc/45/41/44/663454144.db2.gz IDKGBPDAQXBOTB-UHFFFAOYSA-N 2 1 354.495 0.781 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891980446 663461034 /nfs/dbraw/zinc/46/10/34/663461034.db2.gz VJYIOMGNQMONDI-DLBZAZTESA-N 2 1 353.511 0.082 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@@H]21 ZINC000892107638 663476931 /nfs/dbraw/zinc/47/69/31/663476931.db2.gz LVPVYQIDIBQSBH-HZSPNIEDSA-N 2 1 363.428 0.558 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001023372461 663620058 /nfs/dbraw/zinc/62/00/58/663620058.db2.gz SVJYZJGBDVTDBH-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001023372461 663620060 /nfs/dbraw/zinc/62/00/60/663620060.db2.gz SVJYZJGBDVTDBH-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001023372461 663620062 /nfs/dbraw/zinc/62/00/62/663620062.db2.gz SVJYZJGBDVTDBH-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21)[NH+](C)C ZINC000972861753 663896741 /nfs/dbraw/zinc/89/67/41/663896741.db2.gz UBADXCPGHXYDEX-WCXIOVBPSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1nonc1CNC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024998582 664034091 /nfs/dbraw/zinc/03/40/91/664034091.db2.gz FSLUKAJIYGOZJO-XNRPHZJLSA-N 2 1 351.451 0.568 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000973334341 664100151 /nfs/dbraw/zinc/10/01/51/664100151.db2.gz CVPDFVLJKXADNF-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC000973334341 664100152 /nfs/dbraw/zinc/10/01/52/664100152.db2.gz CVPDFVLJKXADNF-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC000973334341 664100154 /nfs/dbraw/zinc/10/01/54/664100154.db2.gz CVPDFVLJKXADNF-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000892919281 664154721 /nfs/dbraw/zinc/15/47/21/664154721.db2.gz LBXYSPHVGXMYDY-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000892925381 664155037 /nfs/dbraw/zinc/15/50/37/664155037.db2.gz QUKBQSWAUFFGGO-HNNXBMFYSA-N 2 1 351.495 0.548 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000974124725 664224150 /nfs/dbraw/zinc/22/41/50/664224150.db2.gz UWGBZTWOMZIIDV-MXASKKJJSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000974186321 664227101 /nfs/dbraw/zinc/22/71/01/664227101.db2.gz IQFVMDYTRLDWQG-RHJCGQNESA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000974186321 664227102 /nfs/dbraw/zinc/22/71/02/664227102.db2.gz IQFVMDYTRLDWQG-RHJCGQNESA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000974186321 664227104 /nfs/dbraw/zinc/22/71/04/664227104.db2.gz IQFVMDYTRLDWQG-RHJCGQNESA-N 2 1 350.507 0.820 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000974191224 664227503 /nfs/dbraw/zinc/22/75/03/664227503.db2.gz WWTBFERFMUVNKW-ZOFXXKQRSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)CC2(C)C)CC[N@@H+]1C ZINC000974587731 664266100 /nfs/dbraw/zinc/26/61/00/664266100.db2.gz KXWKDDIEOLFIPP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)CC2(C)C)CC[N@H+]1C ZINC000974587731 664266102 /nfs/dbraw/zinc/26/61/02/664266102.db2.gz KXWKDDIEOLFIPP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC2(C)C)CC[NH+]1C ZINC000974587731 664266103 /nfs/dbraw/zinc/26/61/03/664266103.db2.gz KXWKDDIEOLFIPP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC2(C)C)CC[NH+]1C ZINC000974587731 664266106 /nfs/dbraw/zinc/26/61/06/664266106.db2.gz KXWKDDIEOLFIPP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)CC[N@H+]1C ZINC000974589369 664266153 /nfs/dbraw/zinc/26/61/53/664266153.db2.gz UOTLAQGPJOPVHN-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CCN3CCCC3=O)CC2(C)C)CC[NH+]1C ZINC000974589369 664266155 /nfs/dbraw/zinc/26/61/55/664266155.db2.gz UOTLAQGPJOPVHN-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CCN3CCCC3=O)CC2(C)C)CC[NH+]1C ZINC000974589369 664266156 /nfs/dbraw/zinc/26/61/56/664266156.db2.gz UOTLAQGPJOPVHN-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n1C ZINC000893501662 664419996 /nfs/dbraw/zinc/41/99/96/664419996.db2.gz PCAQWJJLTLNQSS-CABCVRRESA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n1C ZINC000893501662 664419999 /nfs/dbraw/zinc/41/99/99/664419999.db2.gz PCAQWJJLTLNQSS-CABCVRRESA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1C ZINC000893501665 664420035 /nfs/dbraw/zinc/42/00/35/664420035.db2.gz PCAQWJJLTLNQSS-HUUCEWRRSA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n1C ZINC000893501665 664420039 /nfs/dbraw/zinc/42/00/39/664420039.db2.gz PCAQWJJLTLNQSS-HUUCEWRRSA-N 2 1 350.467 0.227 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC000978179936 664433011 /nfs/dbraw/zinc/43/30/11/664433011.db2.gz MRXFIARTFFBCLA-RFBLXINOSA-N 2 1 357.520 0.055 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC000978179936 664433013 /nfs/dbraw/zinc/43/30/13/664433013.db2.gz MRXFIARTFFBCLA-RFBLXINOSA-N 2 1 357.520 0.055 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC000978179936 664433015 /nfs/dbraw/zinc/43/30/15/664433015.db2.gz MRXFIARTFFBCLA-RFBLXINOSA-N 2 1 357.520 0.055 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC000978179936 664433016 /nfs/dbraw/zinc/43/30/16/664433016.db2.gz MRXFIARTFFBCLA-RFBLXINOSA-N 2 1 357.520 0.055 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cncs4)C[C@H]32)O1 ZINC000978318939 664434828 /nfs/dbraw/zinc/43/48/28/664434828.db2.gz IILDMOZPBYSHHH-CSOUEMRRSA-N 2 1 350.488 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cncs4)C[C@H]32)O1 ZINC000978318939 664434831 /nfs/dbraw/zinc/43/48/31/664434831.db2.gz IILDMOZPBYSHHH-CSOUEMRRSA-N 2 1 350.488 0.656 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cncs4)C[C@H]32)O1 ZINC000978318939 664434834 /nfs/dbraw/zinc/43/48/34/664434834.db2.gz IILDMOZPBYSHHH-CSOUEMRRSA-N 2 1 350.488 0.656 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cncs4)C[C@H]32)O1 ZINC000978318939 664434837 /nfs/dbraw/zinc/43/48/37/664434837.db2.gz IILDMOZPBYSHHH-CSOUEMRRSA-N 2 1 350.488 0.656 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000979781900 664462904 /nfs/dbraw/zinc/46/29/04/664462904.db2.gz BYOACLHXZMDBOH-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000979781900 664462905 /nfs/dbraw/zinc/46/29/05/664462905.db2.gz BYOACLHXZMDBOH-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000979781900 664462907 /nfs/dbraw/zinc/46/29/07/664462907.db2.gz BYOACLHXZMDBOH-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000979863991 664464434 /nfs/dbraw/zinc/46/44/34/664464434.db2.gz RLCWGSWITWQOEV-HDKMNVHJSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000979863991 664464435 /nfs/dbraw/zinc/46/44/35/664464435.db2.gz RLCWGSWITWQOEV-HDKMNVHJSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000979863991 664464436 /nfs/dbraw/zinc/46/44/36/664464436.db2.gz RLCWGSWITWQOEV-HDKMNVHJSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001027892620 664472372 /nfs/dbraw/zinc/47/23/72/664472372.db2.gz ZTOAFQZBFFWZOT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001027892620 664472375 /nfs/dbraw/zinc/47/23/75/664472375.db2.gz ZTOAFQZBFFWZOT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001027892620 664472376 /nfs/dbraw/zinc/47/23/76/664472376.db2.gz ZTOAFQZBFFWZOT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001027892620 664472377 /nfs/dbraw/zinc/47/23/77/664472377.db2.gz ZTOAFQZBFFWZOT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981194475 664817321 /nfs/dbraw/zinc/81/73/21/664817321.db2.gz ROQBVQFFJMWAKK-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306766 664866889 /nfs/dbraw/zinc/86/68/89/664866889.db2.gz XRURXOWGRQYKPB-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306766 664866890 /nfs/dbraw/zinc/86/68/90/664866890.db2.gz XRURXOWGRQYKPB-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306766 664866891 /nfs/dbraw/zinc/86/68/91/664866891.db2.gz XRURXOWGRQYKPB-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306766 664866892 /nfs/dbraw/zinc/86/68/92/664866892.db2.gz XRURXOWGRQYKPB-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001028551281 664901656 /nfs/dbraw/zinc/90/16/56/664901656.db2.gz MCDRBOIQLHUWLW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001028551281 664901658 /nfs/dbraw/zinc/90/16/58/664901658.db2.gz MCDRBOIQLHUWLW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001028551281 664901659 /nfs/dbraw/zinc/90/16/59/664901659.db2.gz MCDRBOIQLHUWLW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCOCC3)C2)O1 ZINC001028629521 664931068 /nfs/dbraw/zinc/93/10/68/664931068.db2.gz OKNVIVVPYNUBFH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCOCC3)C2)O1 ZINC001028629521 664931069 /nfs/dbraw/zinc/93/10/69/664931069.db2.gz OKNVIVVPYNUBFH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCC3CCOCC3)C2)O1 ZINC001028629521 664931072 /nfs/dbraw/zinc/93/10/72/664931072.db2.gz OKNVIVVPYNUBFH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3CCOCC3)C2)O1 ZINC001028629521 664931073 /nfs/dbraw/zinc/93/10/73/664931073.db2.gz OKNVIVVPYNUBFH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000982875615 664932209 /nfs/dbraw/zinc/93/22/09/664932209.db2.gz VFKRICUFQPNBPI-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001029314260 665013591 /nfs/dbraw/zinc/01/35/91/665013591.db2.gz LKUVDXBNWWSZFC-UHDSXZAQSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001029314260 665013592 /nfs/dbraw/zinc/01/35/92/665013592.db2.gz LKUVDXBNWWSZFC-UHDSXZAQSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)N(C)C)CC[NH+]1C ZINC001029314260 665013595 /nfs/dbraw/zinc/01/35/95/665013595.db2.gz LKUVDXBNWWSZFC-UHDSXZAQSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)N(C)C)CC[NH+]1C ZINC001029314260 665013598 /nfs/dbraw/zinc/01/35/98/665013598.db2.gz LKUVDXBNWWSZFC-UHDSXZAQSA-N 2 1 350.507 0.869 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCC(=O)NC(C)C ZINC000727277297 665030357 /nfs/dbraw/zinc/03/03/57/665030357.db2.gz KSHAGIVWKHKDPG-HNNXBMFYSA-N 2 1 357.568 0.733 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960526559 674677666 /nfs/dbraw/zinc/67/76/66/674677666.db2.gz MKCMERIAVMDMPK-AQFIFQLPSA-N 2 1 364.515 0.760 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960526559 674677668 /nfs/dbraw/zinc/67/76/68/674677668.db2.gz MKCMERIAVMDMPK-AQFIFQLPSA-N 2 1 364.515 0.760 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960526559 674677670 /nfs/dbraw/zinc/67/76/70/674677670.db2.gz MKCMERIAVMDMPK-AQFIFQLPSA-N 2 1 364.515 0.760 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960526559 674677671 /nfs/dbraw/zinc/67/76/71/674677671.db2.gz MKCMERIAVMDMPK-AQFIFQLPSA-N 2 1 364.515 0.760 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300265 665079857 /nfs/dbraw/zinc/07/98/57/665079857.db2.gz FVQRPCXOTQMQGL-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300265 665079861 /nfs/dbraw/zinc/07/98/61/665079861.db2.gz FVQRPCXOTQMQGL-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300265 665079862 /nfs/dbraw/zinc/07/98/62/665079862.db2.gz FVQRPCXOTQMQGL-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)C1 ZINC000896389617 665083116 /nfs/dbraw/zinc/08/31/16/665083116.db2.gz GPDRMYKEKHVFSN-GOSISDBHSA-N 2 1 350.507 0.336 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000984899684 665114471 /nfs/dbraw/zinc/11/44/71/665114471.db2.gz JEHQNTOMPUKDOF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985441499 665167362 /nfs/dbraw/zinc/16/73/62/665167362.db2.gz JSTNJGKDMRGGIT-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441499 665167364 /nfs/dbraw/zinc/16/73/64/665167364.db2.gz JSTNJGKDMRGGIT-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441499 665167365 /nfs/dbraw/zinc/16/73/65/665167365.db2.gz JSTNJGKDMRGGIT-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000987469381 665255697 /nfs/dbraw/zinc/25/56/97/665255697.db2.gz RUGFZAAYIBFABS-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000987469381 665255699 /nfs/dbraw/zinc/25/56/99/665255699.db2.gz RUGFZAAYIBFABS-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000987469381 665255701 /nfs/dbraw/zinc/25/57/01/665255701.db2.gz RUGFZAAYIBFABS-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000897455263 665289074 /nfs/dbraw/zinc/28/90/74/665289074.db2.gz QFGPBEWTLUYQLI-KRWDZBQOSA-N 2 1 351.539 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000938040039 665312842 /nfs/dbraw/zinc/31/28/42/665312842.db2.gz SIHMQUUUJDIPGU-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000989050169 665337700 /nfs/dbraw/zinc/33/77/00/665337700.db2.gz IBTBPMXWFPVEMX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000989050169 665337703 /nfs/dbraw/zinc/33/77/03/665337703.db2.gz IBTBPMXWFPVEMX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000989050169 665337706 /nfs/dbraw/zinc/33/77/06/665337706.db2.gz IBTBPMXWFPVEMX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909317753 666230107 /nfs/dbraw/zinc/23/01/07/666230107.db2.gz JGICHLCPYKDTIV-UHFFFAOYSA-N 2 1 354.495 0.207 20 0 FCADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366283 666243745 /nfs/dbraw/zinc/24/37/45/666243745.db2.gz GYTUPIQUPLYJRC-UHFFFAOYSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000910862322 666285049 /nfs/dbraw/zinc/28/50/49/666285049.db2.gz FJMLLSKQQCYYID-KRWDZBQOSA-N 2 1 354.539 0.564 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000910862322 666285050 /nfs/dbraw/zinc/28/50/50/666285050.db2.gz FJMLLSKQQCYYID-KRWDZBQOSA-N 2 1 354.539 0.564 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000911053167 666305916 /nfs/dbraw/zinc/30/59/16/666305916.db2.gz NDSWTMUNBGAZTD-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H]1c1cccs1 ZINC000911201262 666322818 /nfs/dbraw/zinc/32/28/18/666322818.db2.gz RJSMRVANMHYYQO-GXTWGEPZSA-N 2 1 350.488 0.855 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000921362338 666439797 /nfs/dbraw/zinc/43/97/97/666439797.db2.gz JOEGOWXRSKQXNU-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000938609036 666474579 /nfs/dbraw/zinc/47/45/79/666474579.db2.gz ILDKEGXFVVRWTP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940288695 666544663 /nfs/dbraw/zinc/54/46/63/666544663.db2.gz YCMSZZGYVGMIJK-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000732624437 666891676 /nfs/dbraw/zinc/89/16/76/666891676.db2.gz PXHWXYYDZMAXSH-UHFFFAOYSA-N 2 1 358.552 0.626 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995949158 666896399 /nfs/dbraw/zinc/89/63/99/666896399.db2.gz BRRONLDMIWOUIH-UXIGCNINSA-N 2 1 367.519 0.892 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995949158 666896401 /nfs/dbraw/zinc/89/64/01/666896401.db2.gz BRRONLDMIWOUIH-UXIGCNINSA-N 2 1 367.519 0.892 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000993821412 666940294 /nfs/dbraw/zinc/94/02/94/666940294.db2.gz VXSULMUNVZYODH-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000993821412 666940296 /nfs/dbraw/zinc/94/02/96/666940296.db2.gz VXSULMUNVZYODH-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000993821412 666940298 /nfs/dbraw/zinc/94/02/98/666940298.db2.gz VXSULMUNVZYODH-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC000996604955 666945825 /nfs/dbraw/zinc/94/58/25/666945825.db2.gz ZPUXWGFQJKIUQG-UKRRQHHQSA-N 2 1 350.463 0.056 20 0 FCADMP CCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996711081 666963109 /nfs/dbraw/zinc/96/31/09/666963109.db2.gz JGGMNAHOQDPODK-UKRRQHHQSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996711081 666963111 /nfs/dbraw/zinc/96/31/11/666963111.db2.gz JGGMNAHOQDPODK-UKRRQHHQSA-N 2 1 350.467 0.098 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000734468590 666969210 /nfs/dbraw/zinc/96/92/10/666969210.db2.gz TUSGLLPLALJZEK-SFHVURJKSA-N 2 1 352.523 0.775 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000998793455 667221743 /nfs/dbraw/zinc/22/17/43/667221743.db2.gz INURXDLLVIROSL-SJJHQCBESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000999209225 667231781 /nfs/dbraw/zinc/23/17/81/667231781.db2.gz OXZAEGBTDLFCIY-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681480 667264105 /nfs/dbraw/zinc/26/41/05/667264105.db2.gz UMWXCLVAUWWUGS-UKRRQHHQSA-N 2 1 352.504 0.606 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681480 667264107 /nfs/dbraw/zinc/26/41/07/667264107.db2.gz UMWXCLVAUWWUGS-UKRRQHHQSA-N 2 1 352.504 0.606 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000961849485 674831192 /nfs/dbraw/zinc/83/11/92/674831192.db2.gz MRFWPQRNKLQEOT-XSCHDIRWSA-N 2 1 352.458 0.572 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001033090445 667670178 /nfs/dbraw/zinc/67/01/78/667670178.db2.gz AZEIKKUQFXFHLM-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033090445 667670181 /nfs/dbraw/zinc/67/01/81/667670181.db2.gz AZEIKKUQFXFHLM-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033090445 667670182 /nfs/dbraw/zinc/67/01/82/667670182.db2.gz AZEIKKUQFXFHLM-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001033090448 667670220 /nfs/dbraw/zinc/67/02/20/667670220.db2.gz AZEIKKUQFXFHLM-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033090448 667670222 /nfs/dbraw/zinc/67/02/22/667670222.db2.gz AZEIKKUQFXFHLM-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033090448 667670223 /nfs/dbraw/zinc/67/02/23/667670223.db2.gz AZEIKKUQFXFHLM-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001033094980 667670245 /nfs/dbraw/zinc/67/02/45/667670245.db2.gz MNVXXMBJRQSWOK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001033094980 667670246 /nfs/dbraw/zinc/67/02/46/667670246.db2.gz MNVXXMBJRQSWOK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001033094980 667670248 /nfs/dbraw/zinc/67/02/48/667670248.db2.gz MNVXXMBJRQSWOK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001033094980 667670250 /nfs/dbraw/zinc/67/02/50/667670250.db2.gz MNVXXMBJRQSWOK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000946797080 667727858 /nfs/dbraw/zinc/72/78/58/667727858.db2.gz XNPXKVRXCHAFMG-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000946797080 667727861 /nfs/dbraw/zinc/72/78/61/667727861.db2.gz XNPXKVRXCHAFMG-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000946797080 667727865 /nfs/dbraw/zinc/72/78/65/667727865.db2.gz XNPXKVRXCHAFMG-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001034649570 667762425 /nfs/dbraw/zinc/76/24/25/667762425.db2.gz LDRYONNMYNVILB-SMLCLMEVSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422828 667779521 /nfs/dbraw/zinc/77/95/21/667779521.db2.gz MRYVZTLWDUOSIG-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422828 667779524 /nfs/dbraw/zinc/77/95/24/667779524.db2.gz MRYVZTLWDUOSIG-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422828 667779529 /nfs/dbraw/zinc/77/95/29/667779529.db2.gz MRYVZTLWDUOSIG-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422828 667779532 /nfs/dbraw/zinc/77/95/32/667779532.db2.gz MRYVZTLWDUOSIG-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP CCn1ncc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961988290 674852877 /nfs/dbraw/zinc/85/28/77/674852877.db2.gz FPIJARAGNJYPDH-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1ncc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961988290 674852878 /nfs/dbraw/zinc/85/28/78/674852878.db2.gz FPIJARAGNJYPDH-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000946916372 667848023 /nfs/dbraw/zinc/84/80/23/667848023.db2.gz WMXSERDIYVEDKH-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000946916372 667848026 /nfs/dbraw/zinc/84/80/26/667848026.db2.gz WMXSERDIYVEDKH-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000946916372 667848028 /nfs/dbraw/zinc/84/80/28/667848028.db2.gz WMXSERDIYVEDKH-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000765965185 668018295 /nfs/dbraw/zinc/01/82/95/668018295.db2.gz PXWDUCIZMBTSOK-HNNXBMFYSA-N 2 1 350.463 0.058 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608581 668038603 /nfs/dbraw/zinc/03/86/03/668038603.db2.gz FTQZBEZSWZSHJP-OLZOCXBDSA-N 2 1 355.508 0.417 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743392973 668047465 /nfs/dbraw/zinc/04/74/65/668047465.db2.gz FMTOHYFLWVCZHQ-OAHLLOKOSA-N 2 1 351.495 0.624 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000743596098 668049467 /nfs/dbraw/zinc/04/94/67/668049467.db2.gz ZSVYNWUIJMAZCW-MRXNPFEDSA-N 2 1 369.579 0.735 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000774563302 668159568 /nfs/dbraw/zinc/15/95/68/668159568.db2.gz DREKYMRZOFBAED-CABCVRRESA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000774563302 668159570 /nfs/dbraw/zinc/15/95/70/668159570.db2.gz DREKYMRZOFBAED-CABCVRRESA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000774563302 668159573 /nfs/dbraw/zinc/15/95/73/668159573.db2.gz DREKYMRZOFBAED-CABCVRRESA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000774563302 668159576 /nfs/dbraw/zinc/15/95/76/668159576.db2.gz DREKYMRZOFBAED-CABCVRRESA-N 2 1 356.536 0.914 20 0 FCADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363429 668875287 /nfs/dbraw/zinc/87/52/87/668875287.db2.gz SYQVKHDYLVMMAZ-KBXCAEBGSA-N 2 1 351.447 0.945 20 0 FCADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363429 668875288 /nfs/dbraw/zinc/87/52/88/668875288.db2.gz SYQVKHDYLVMMAZ-KBXCAEBGSA-N 2 1 351.447 0.945 20 0 FCADMP Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000818969319 668966557 /nfs/dbraw/zinc/96/65/57/668966557.db2.gz CSUYLLCANSXOTG-GXTWGEPZSA-N 2 1 350.385 0.605 20 0 FCADMP Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000818969319 668966562 /nfs/dbraw/zinc/96/65/62/668966562.db2.gz CSUYLLCANSXOTG-GXTWGEPZSA-N 2 1 350.385 0.605 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000818975458 668967354 /nfs/dbraw/zinc/96/73/54/668967354.db2.gz QMKWZALOQFJEQA-QGZVFWFLSA-N 2 1 356.488 0.824 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819059561 668975157 /nfs/dbraw/zinc/97/51/57/668975157.db2.gz DDYGOLMFFMAMEC-AWEZNQCLSA-N 2 1 358.483 0.016 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000822610193 669280883 /nfs/dbraw/zinc/28/08/83/669280883.db2.gz HVAIZQOONFHZKU-KRWDZBQOSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055371 669356727 /nfs/dbraw/zinc/35/67/27/669356727.db2.gz MVGUAQWHNDCAQV-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064831 669361151 /nfs/dbraw/zinc/36/11/51/669361151.db2.gz YVCNIWXTPVGSIR-SOUVJXGZSA-N 2 1 354.495 0.058 20 0 FCADMP CO[C@@H]1C[C@@H]([N@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140424 669568973 /nfs/dbraw/zinc/56/89/73/669568973.db2.gz NXPXXYBLVGHLNW-ZIAGYGMSSA-N 2 1 350.463 0.850 20 0 FCADMP CO[C@@H]1C[C@@H]([N@@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140424 669568979 /nfs/dbraw/zinc/56/89/79/669568979.db2.gz NXPXXYBLVGHLNW-ZIAGYGMSSA-N 2 1 350.463 0.850 20 0 FCADMP CO[C@H]1C[C@H]([N@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140415 669569044 /nfs/dbraw/zinc/56/90/44/669569044.db2.gz NXPXXYBLVGHLNW-KBPBESRZSA-N 2 1 350.463 0.850 20 0 FCADMP CO[C@H]1C[C@H]([N@@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140415 669569048 /nfs/dbraw/zinc/56/90/48/669569048.db2.gz NXPXXYBLVGHLNW-KBPBESRZSA-N 2 1 350.463 0.850 20 0 FCADMP COC(=O)CC[C@]1(C)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000811742753 669766220 /nfs/dbraw/zinc/76/62/20/669766220.db2.gz JNKBBCKLXFHIIQ-KRWDZBQOSA-N 2 1 354.451 0.481 20 0 FCADMP COC(=O)CC[C@]1(C)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000811742753 669766225 /nfs/dbraw/zinc/76/62/25/669766225.db2.gz JNKBBCKLXFHIIQ-KRWDZBQOSA-N 2 1 354.451 0.481 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834533001 669962686 /nfs/dbraw/zinc/96/26/86/669962686.db2.gz JTVOSQBNNQALCV-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834533001 669962692 /nfs/dbraw/zinc/96/26/92/669962692.db2.gz JTVOSQBNNQALCV-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834628807 669967454 /nfs/dbraw/zinc/96/74/54/669967454.db2.gz HCBZRVRRCRTVEO-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834628807 669967457 /nfs/dbraw/zinc/96/74/57/669967457.db2.gz HCBZRVRRCRTVEO-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738343 669972579 /nfs/dbraw/zinc/97/25/79/669972579.db2.gz WHMJUZFKUPJAGG-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738343 669972580 /nfs/dbraw/zinc/97/25/80/669972580.db2.gz WHMJUZFKUPJAGG-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738343 669972582 /nfs/dbraw/zinc/97/25/82/669972582.db2.gz WHMJUZFKUPJAGG-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738343 669972585 /nfs/dbraw/zinc/97/25/85/669972585.db2.gz WHMJUZFKUPJAGG-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000840844083 670521678 /nfs/dbraw/zinc/52/16/78/670521678.db2.gz NQEUPSSUUWIQID-MRXNPFEDSA-N 2 1 370.563 0.816 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000840844083 670521681 /nfs/dbraw/zinc/52/16/81/670521681.db2.gz NQEUPSSUUWIQID-MRXNPFEDSA-N 2 1 370.563 0.816 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841196380 670540807 /nfs/dbraw/zinc/54/08/07/670540807.db2.gz IPDUXWXUBSEMPF-LBPRGKRZSA-N 2 1 367.881 0.741 20 0 FCADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000842270878 670662412 /nfs/dbraw/zinc/66/24/12/670662412.db2.gz LQYZTMJBNXXSML-UHFFFAOYSA-N 2 1 356.417 0.330 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000843248149 670783541 /nfs/dbraw/zinc/78/35/41/670783541.db2.gz JODZFGCSGNYKDB-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000843248149 670783547 /nfs/dbraw/zinc/78/35/47/670783547.db2.gz JODZFGCSGNYKDB-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP C[N@H+](CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843355323 670804841 /nfs/dbraw/zinc/80/48/41/670804841.db2.gz RMXJYSLVWGMAHI-UHFFFAOYSA-N 2 1 353.488 0.908 20 0 FCADMP C[N@@H+](CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843355323 670804848 /nfs/dbraw/zinc/80/48/48/670804848.db2.gz RMXJYSLVWGMAHI-UHFFFAOYSA-N 2 1 353.488 0.908 20 0 FCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843355643 670805104 /nfs/dbraw/zinc/80/51/04/670805104.db2.gz HLSNHHJZLMEWPM-MRXNPFEDSA-N 2 1 353.467 0.625 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000846239977 671094182 /nfs/dbraw/zinc/09/41/82/671094182.db2.gz KVFAADYCTLNYDO-SOUVJXGZSA-N 2 1 354.495 0.994 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646259 671134473 /nfs/dbraw/zinc/13/44/73/671134473.db2.gz BFLXJZGQPNJDGP-HUUCEWRRSA-N 2 1 352.479 0.461 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000849052365 671316220 /nfs/dbraw/zinc/31/62/20/671316220.db2.gz UZIVAKQEWKQVIY-KFWWJZLASA-N 2 1 359.540 0.693 20 0 FCADMP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000849111027 671318288 /nfs/dbraw/zinc/31/82/88/671318288.db2.gz FZMAROIQIZSKFF-CQSZACIVSA-N 2 1 356.515 0.509 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891881 675906234 /nfs/dbraw/zinc/90/62/34/675906234.db2.gz UWYFKLJGURLDJH-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891881 675906237 /nfs/dbraw/zinc/90/62/37/675906237.db2.gz UWYFKLJGURLDJH-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891881 675906238 /nfs/dbraw/zinc/90/62/38/675906238.db2.gz UWYFKLJGURLDJH-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891881 675906240 /nfs/dbraw/zinc/90/62/40/675906240.db2.gz UWYFKLJGURLDJH-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP O=C1O[C@@]2(CN1CN1CC[NH+]([C@@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000853554703 671550108 /nfs/dbraw/zinc/55/01/08/671550108.db2.gz ZJYWNSFJLWBBME-SJLPKXTDSA-N 2 1 350.463 0.267 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN(C)C(=O)OC)CC2)CC1 ZINC000855943968 671672063 /nfs/dbraw/zinc/67/20/63/671672063.db2.gz KPMYPOAPBNMLJW-UHFFFAOYSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000857334473 671725148 /nfs/dbraw/zinc/72/51/48/671725148.db2.gz AWKJQDXMNRDRPZ-ZWKOTPCHSA-N 2 1 353.507 0.837 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859215173 671801416 /nfs/dbraw/zinc/80/14/16/671801416.db2.gz WYRVXPPLTQHINI-UHFFFAOYSA-N 2 1 365.503 0.892 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859215173 671801420 /nfs/dbraw/zinc/80/14/20/671801420.db2.gz WYRVXPPLTQHINI-UHFFFAOYSA-N 2 1 365.503 0.892 20 0 FCADMP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000859271896 671806411 /nfs/dbraw/zinc/80/64/11/671806411.db2.gz JFINGEFHZUDJHU-MHORFTMASA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000859271896 671806414 /nfs/dbraw/zinc/80/64/14/671806414.db2.gz JFINGEFHZUDJHU-MHORFTMASA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000859271896 671806418 /nfs/dbraw/zinc/80/64/18/671806418.db2.gz JFINGEFHZUDJHU-MHORFTMASA-N 2 1 374.598 0.858 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000859275345 671807496 /nfs/dbraw/zinc/80/74/96/671807496.db2.gz HWKZUGDSAXZHLR-USTZCAOPSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](CO)[C@@H](O)C1)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275345 671807499 /nfs/dbraw/zinc/80/74/99/671807499.db2.gz HWKZUGDSAXZHLR-USTZCAOPSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](CO)[C@@H](O)C1)CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275345 671807501 /nfs/dbraw/zinc/80/75/01/671807501.db2.gz HWKZUGDSAXZHLR-USTZCAOPSA-N 2 1 374.598 0.045 20 0 FCADMP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733096 675964953 /nfs/dbraw/zinc/96/49/53/675964953.db2.gz JQLIACUGTIALHE-HKUYNNGSSA-N 2 1 352.523 0.631 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903734017 675965325 /nfs/dbraw/zinc/96/53/25/675965325.db2.gz SKIIYAQNMIJEJX-MJGOQNOKSA-N 2 1 350.507 0.385 20 0 FCADMP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753734 675967856 /nfs/dbraw/zinc/96/78/56/675967856.db2.gz XTVXBLHJMPIMLY-DLBZAZTESA-N 2 1 352.523 0.677 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863316438 672113062 /nfs/dbraw/zinc/11/30/62/672113062.db2.gz NORPVMPZMGMWBU-ZIAGYGMSSA-N 2 1 358.483 0.014 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357547 676017554 /nfs/dbraw/zinc/01/75/54/676017554.db2.gz SEPAMOZRHGWFAR-WCXIOVBPSA-N 2 1 350.507 0.584 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357547 676017556 /nfs/dbraw/zinc/01/75/56/676017556.db2.gz SEPAMOZRHGWFAR-WCXIOVBPSA-N 2 1 350.507 0.584 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357547 676017557 /nfs/dbraw/zinc/01/75/57/676017557.db2.gz SEPAMOZRHGWFAR-WCXIOVBPSA-N 2 1 350.507 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CCC3)CC2)CC[N@H+]1C ZINC001055583708 676025419 /nfs/dbraw/zinc/02/54/19/676025419.db2.gz ZJPKUAIAZJZSKU-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056426730 676045712 /nfs/dbraw/zinc/04/57/12/676045712.db2.gz LGVIZALQEWQPKP-VQHPVUNQSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000874448351 672784733 /nfs/dbraw/zinc/78/47/33/672784733.db2.gz RYUYSSCEUCLKJW-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP NS(=O)(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000876577203 672965231 /nfs/dbraw/zinc/96/52/31/672965231.db2.gz XITIVRNCVIJBFL-UHFFFAOYSA-N 2 1 353.488 0.878 20 0 FCADMP [NH3+]C[C@@H]1[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000876781317 672979643 /nfs/dbraw/zinc/97/96/43/672979643.db2.gz FXSLMPWDASAIFK-HUUCEWRRSA-N 2 1 353.417 0.550 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876780662 672979651 /nfs/dbraw/zinc/97/96/51/672979651.db2.gz HXVFLNHBMFRLRX-LSDHHAIUSA-N 2 1 350.442 0.053 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[NH+]2CCC2CCOCC2)CC[N@@H+]1C ZINC001050922421 676094908 /nfs/dbraw/zinc/09/49/08/676094908.db2.gz BUEFVOLHWYVDTQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[NH+]2CCC2CCOCC2)CC[N@H+]1C ZINC001050922421 676094910 /nfs/dbraw/zinc/09/49/10/676094910.db2.gz BUEFVOLHWYVDTQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2CCC2CCOCC2)CC[NH+]1C ZINC001050922421 676094913 /nfs/dbraw/zinc/09/49/13/676094913.db2.gz BUEFVOLHWYVDTQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[N@H+]2CCC2CCOCC2)CC[NH+]1C ZINC001050922421 676094915 /nfs/dbraw/zinc/09/49/15/676094915.db2.gz BUEFVOLHWYVDTQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879449977 673121070 /nfs/dbraw/zinc/12/10/70/673121070.db2.gz WQNHDHXDFRHQOG-SFHVURJKSA-N 2 1 351.491 0.752 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879449977 673121073 /nfs/dbraw/zinc/12/10/73/673121073.db2.gz WQNHDHXDFRHQOG-SFHVURJKSA-N 2 1 351.491 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@@H+]1C ZINC001051623852 676106838 /nfs/dbraw/zinc/10/68/38/676106838.db2.gz JUYHBXCVAZQVMO-QLFBSQMISA-N 2 1 350.467 0.160 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@H+]1C ZINC001051623852 676106841 /nfs/dbraw/zinc/10/68/41/676106841.db2.gz JUYHBXCVAZQVMO-QLFBSQMISA-N 2 1 350.467 0.160 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3snnc3C)C2)CC[N@H+]1C ZINC001051625411 676106974 /nfs/dbraw/zinc/10/69/74/676106974.db2.gz ZWGIGSUJQYPUEY-QLFBSQMISA-N 2 1 367.519 0.894 20 0 FCADMP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680679 676108458 /nfs/dbraw/zinc/10/84/58/676108458.db2.gz PRQFDMMFEQBHLQ-UHOFOFEASA-N 2 1 352.435 0.019 20 0 FCADMP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680679 676108460 /nfs/dbraw/zinc/10/84/60/676108460.db2.gz PRQFDMMFEQBHLQ-UHOFOFEASA-N 2 1 352.435 0.019 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)CC[N@H+]1C ZINC001052031267 676112890 /nfs/dbraw/zinc/11/28/90/676112890.db2.gz IPGWFKKLMZAFFP-OKZBNKHCSA-N 2 1 352.523 0.318 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882489133 673315635 /nfs/dbraw/zinc/31/56/35/673315635.db2.gz MJIGRDNSYOWGGN-QBPKDAKJSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1(C[NH3+])CCCCC1 ZINC000883652983 673389051 /nfs/dbraw/zinc/38/90/51/673389051.db2.gz IMCUMWSQWFMTAE-UHFFFAOYSA-N 2 1 354.495 0.022 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000884522849 673459692 /nfs/dbraw/zinc/45/96/92/673459692.db2.gz JQJIJVCRZUNEHR-OUCADQQQSA-N 2 1 350.488 0.559 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000884522849 673459695 /nfs/dbraw/zinc/45/96/95/673459695.db2.gz JQJIJVCRZUNEHR-OUCADQQQSA-N 2 1 350.488 0.559 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884546178 673460959 /nfs/dbraw/zinc/46/09/59/673460959.db2.gz CHTAKOHGAUBXBP-NWDGAFQWSA-N 2 1 352.401 0.430 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884546734 673460993 /nfs/dbraw/zinc/46/09/93/673460993.db2.gz SHWCARIIWINPGX-OAHLLOKOSA-N 2 1 354.495 0.109 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884546255 673461014 /nfs/dbraw/zinc/46/10/14/673461014.db2.gz FKTQDRQRTYYVHJ-UHFFFAOYSA-N 2 1 353.492 0.335 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884577583 673463548 /nfs/dbraw/zinc/46/35/48/673463548.db2.gz IIBRFQBOVMJBBX-CYJAXWMASA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000884616671 673466184 /nfs/dbraw/zinc/46/61/84/673466184.db2.gz AEWBURPGHDKNTD-FOGDFJRCSA-N 2 1 350.385 0.181 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)[N@@H+](C)C1CC1 ZINC000884617916 673466344 /nfs/dbraw/zinc/46/63/44/673466344.db2.gz URKDKHYVMBNGOO-JTQLQIEISA-N 2 1 351.476 0.085 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000884669667 673471200 /nfs/dbraw/zinc/47/12/00/673471200.db2.gz CJWJDGUGFJSPDJ-DGCLKSJQSA-N 2 1 363.487 0.230 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC[C@@H]21 ZINC000884970069 673494340 /nfs/dbraw/zinc/49/43/40/673494340.db2.gz CUQAOJKQXSTDJZ-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621800 673593534 /nfs/dbraw/zinc/59/35/34/673593534.db2.gz BNLJXBFAYASZQN-ZHALLVOQSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621800 673593537 /nfs/dbraw/zinc/59/35/37/673593537.db2.gz BNLJXBFAYASZQN-ZHALLVOQSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621800 673593538 /nfs/dbraw/zinc/59/35/38/673593538.db2.gz BNLJXBFAYASZQN-ZHALLVOQSA-N 2 1 353.507 0.696 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cn2cc[nH+]c12 ZINC000887034950 673616423 /nfs/dbraw/zinc/61/64/23/673616423.db2.gz CBGCUQMDRQIDFY-LLVKDONJSA-N 2 1 351.357 0.942 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446144 673752748 /nfs/dbraw/zinc/75/27/48/673752748.db2.gz XQCIMWFGQMPMKA-CVEARBPZSA-N 2 1 352.479 0.750 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446144 673752751 /nfs/dbraw/zinc/75/27/51/673752751.db2.gz XQCIMWFGQMPMKA-CVEARBPZSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023665 673774378 /nfs/dbraw/zinc/77/43/78/673774378.db2.gz OKDQBHCNDYVFFF-WBVHZDCISA-N 2 1 361.552 0.873 20 0 FCADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926170130 673814922 /nfs/dbraw/zinc/81/49/22/673814922.db2.gz IGOFEGOLZFEYNL-RWQQGDIJSA-N 2 1 352.523 0.220 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@@H]1CCOC1 ZINC000927520129 673865377 /nfs/dbraw/zinc/86/53/77/673865377.db2.gz WNWXQPFHEDLJFT-DLBZAZTESA-N 2 1 356.511 0.849 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927642370 673874966 /nfs/dbraw/zinc/87/49/66/673874966.db2.gz CEXDLJZQTQHJEE-MRXNPFEDSA-N 2 1 354.495 0.338 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000929537394 673961873 /nfs/dbraw/zinc/96/18/73/673961873.db2.gz XRQWQARMEUNENB-CQSZACIVSA-N 2 1 354.520 0.285 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000968740655 675228372 /nfs/dbraw/zinc/22/83/72/675228372.db2.gz UZFRAGSLNNGAEA-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071739 675268404 /nfs/dbraw/zinc/26/84/04/675268404.db2.gz CPDSTJSRNMYPOE-XNRPHZJLSA-N 2 1 350.467 0.016 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071739 675268405 /nfs/dbraw/zinc/26/84/05/675268405.db2.gz CPDSTJSRNMYPOE-XNRPHZJLSA-N 2 1 350.467 0.016 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC001007982035 675305313 /nfs/dbraw/zinc/30/53/13/675305313.db2.gz AYDCTCCCMIPJEP-GGXPGOJBSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)CC[N@H+]1C ZINC001008206996 675311121 /nfs/dbraw/zinc/31/11/21/675311121.db2.gz GTNJHPNMDLVUIW-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011208933 675377034 /nfs/dbraw/zinc/37/70/34/675377034.db2.gz VNMMXKCTMPPGPV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011208933 675377037 /nfs/dbraw/zinc/37/70/37/675377037.db2.gz VNMMXKCTMPPGPV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011208933 675377039 /nfs/dbraw/zinc/37/70/39/675377039.db2.gz VNMMXKCTMPPGPV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1ncsc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014925799 675393311 /nfs/dbraw/zinc/39/33/11/675393311.db2.gz SAIRASSZGFYSFM-BPLDGKMQSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014925799 675393312 /nfs/dbraw/zinc/39/33/12/675393312.db2.gz SAIRASSZGFYSFM-BPLDGKMQSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925799 675393318 /nfs/dbraw/zinc/39/33/18/675393318.db2.gz SAIRASSZGFYSFM-BPLDGKMQSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925799 675393321 /nfs/dbraw/zinc/39/33/21/675393321.db2.gz SAIRASSZGFYSFM-BPLDGKMQSA-N 2 1 352.504 0.904 20 0 FCADMP CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019070147 675420955 /nfs/dbraw/zinc/42/09/55/675420955.db2.gz ASFBBLIUEBKFIV-OAGGEKHMSA-N 2 1 350.507 0.728 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001020287634 675439794 /nfs/dbraw/zinc/43/97/94/675439794.db2.gz DIMBQEPZOIAGFB-HKUMRIAESA-N 2 1 354.476 0.608 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001020287634 675439795 /nfs/dbraw/zinc/43/97/95/675439795.db2.gz DIMBQEPZOIAGFB-HKUMRIAESA-N 2 1 354.476 0.608 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)CC[N@@H+]1C ZINC001045043845 675649754 /nfs/dbraw/zinc/64/97/54/675649754.db2.gz OXKRTAPTIWBIOT-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)CC[N@H+]1C ZINC001045043845 675649756 /nfs/dbraw/zinc/64/97/56/675649756.db2.gz OXKRTAPTIWBIOT-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP CC(C)[C@@H](CNC(=O)CCN1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000900060723 675661274 /nfs/dbraw/zinc/66/12/74/675661274.db2.gz LEMJVPITWJEADN-GOSISDBHSA-N 2 1 354.539 0.876 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900693930 675708409 /nfs/dbraw/zinc/70/84/09/675708409.db2.gz BPSOWTDUWVPXBG-INIZCTEOSA-N 2 1 350.511 0.448 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000901132918 675762105 /nfs/dbraw/zinc/76/21/05/675762105.db2.gz GDVZTEUROWNJOU-JKSUJKDBSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000901132918 675762109 /nfs/dbraw/zinc/76/21/09/675762109.db2.gz GDVZTEUROWNJOU-JKSUJKDBSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)N1CCC([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801546931 675790980 /nfs/dbraw/zinc/79/09/80/675790980.db2.gz WBBDZPXIAFMHDV-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000969303586 1167862115 /nfs/dbraw/zinc/86/21/15/1167862115.db2.gz OVUIJZPPHGZHCZ-NQNKBUKLSA-N 2 1 366.506 0.248 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000969303586 1167862118 /nfs/dbraw/zinc/86/21/18/1167862118.db2.gz OVUIJZPPHGZHCZ-NQNKBUKLSA-N 2 1 366.506 0.248 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480866313 1167945405 /nfs/dbraw/zinc/94/54/05/1167945405.db2.gz YHASOERCUGOJFZ-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480866313 1167945413 /nfs/dbraw/zinc/94/54/13/1167945413.db2.gz YHASOERCUGOJFZ-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480866313 1167945420 /nfs/dbraw/zinc/94/54/20/1167945420.db2.gz YHASOERCUGOJFZ-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480866313 1167945428 /nfs/dbraw/zinc/94/54/28/1167945428.db2.gz YHASOERCUGOJFZ-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC001020614434 1168161371 /nfs/dbraw/zinc/16/13/71/1168161371.db2.gz ZUTUJCGRIIIJLV-RWQQGDIJSA-N 2 1 368.485 0.897 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001167096045 1168207010 /nfs/dbraw/zinc/20/70/10/1168207010.db2.gz RMBNSVQQNGATFR-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000970042938 1168302746 /nfs/dbraw/zinc/30/27/46/1168302746.db2.gz PVJPAVMHBILMOX-QRVBRYPASA-N 2 1 370.497 0.755 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001691769964 1168339388 /nfs/dbraw/zinc/33/93/88/1168339388.db2.gz CKLLAPQXWLYAHC-BYQDXSGLSA-N 2 1 359.898 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCn2cccn2)O1 ZINC001021297054 1168959930 /nfs/dbraw/zinc/95/99/30/1168959930.db2.gz JTLCHYFRQOVOEY-AJYUKVHDSA-N 2 1 361.490 0.714 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCn2cccn2)O1 ZINC001021297054 1168959950 /nfs/dbraw/zinc/95/99/50/1168959950.db2.gz JTLCHYFRQOVOEY-AJYUKVHDSA-N 2 1 361.490 0.714 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cccn2)O1 ZINC001021297054 1168959970 /nfs/dbraw/zinc/95/99/70/1168959970.db2.gz JTLCHYFRQOVOEY-AJYUKVHDSA-N 2 1 361.490 0.714 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cccn2)O1 ZINC001021297054 1168959996 /nfs/dbraw/zinc/95/99/96/1168959996.db2.gz JTLCHYFRQOVOEY-AJYUKVHDSA-N 2 1 361.490 0.714 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cn(C)nn2)O1 ZINC001021297721 1168962711 /nfs/dbraw/zinc/96/27/11/1168962711.db2.gz UBVZQNRQBXLYJR-IBWRZXHSSA-N 2 1 362.478 0.146 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000891009819 1168993272 /nfs/dbraw/zinc/99/32/72/1168993272.db2.gz UHMBYFHWCWPUOI-UHFFFAOYSA-N 2 1 362.478 0.641 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000891009819 1168993279 /nfs/dbraw/zinc/99/32/79/1168993279.db2.gz UHMBYFHWCWPUOI-UHFFFAOYSA-N 2 1 362.478 0.641 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291755 1169656457 /nfs/dbraw/zinc/65/64/57/1169656457.db2.gz UCTXQSUDPRLVJU-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001021699285 1169894356 /nfs/dbraw/zinc/89/43/56/1169894356.db2.gz NRXQBTWOMSMUGW-HDMKZQKVSA-N 2 1 371.485 0.772 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC001021701622 1169896031 /nfs/dbraw/zinc/89/60/31/1169896031.db2.gz BGDNOYGMMWQXLI-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001021711811 1169914699 /nfs/dbraw/zinc/91/46/99/1169914699.db2.gz CZRKPFMXKJWNPM-JZXOWHBKSA-N 2 1 361.490 0.837 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]32)CC1 ZINC001083213877 1170020005 /nfs/dbraw/zinc/02/00/05/1170020005.db2.gz XGVZWKVZFWDEGQ-ZWKOTPCHSA-N 2 1 361.490 0.527 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]32)CC1 ZINC001083213877 1170020009 /nfs/dbraw/zinc/02/00/09/1170020009.db2.gz XGVZWKVZFWDEGQ-ZWKOTPCHSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@H](CO)[N@H+](Cc1cccc(C[NH+](C[C@H](C)O)[C@@H](C)CO)c1)C[C@H](C)O ZINC000276220762 1170360214 /nfs/dbraw/zinc/36/02/14/1170360214.db2.gz QOBJUSGOLXSYHG-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[NH+](Cc1cccc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1)C[C@H](C)O ZINC000276220762 1170360220 /nfs/dbraw/zinc/36/02/20/1170360220.db2.gz QOBJUSGOLXSYHG-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[NH+](Cc1cccc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1)C[C@H](C)O ZINC000276220762 1170360224 /nfs/dbraw/zinc/36/02/24/1170360224.db2.gz QOBJUSGOLXSYHG-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038356 1170455549 /nfs/dbraw/zinc/45/55/49/1170455549.db2.gz OFNSGHKHOCIIEI-RYQLBKOJSA-N 2 1 362.518 0.872 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221077 1170586015 /nfs/dbraw/zinc/58/60/15/1170586015.db2.gz JMSWEZDMSWGXHR-BHYGNILZSA-N 2 1 365.478 0.005 20 0 FCADMP CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001104375321 1170740798 /nfs/dbraw/zinc/74/07/98/1170740798.db2.gz FYOKHVHAFHLISH-UMVBOHGHSA-N 2 1 365.478 0.688 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022211417 1170753542 /nfs/dbraw/zinc/75/35/42/1170753542.db2.gz QWZCRRIHULKGOO-YESZJQIVSA-N 2 1 360.502 0.483 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001022276312 1170824295 /nfs/dbraw/zinc/82/42/95/1170824295.db2.gz GHEHMGBJCSDAOQ-WCXIOVBPSA-N 2 1 366.506 0.201 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001022276312 1170824296 /nfs/dbraw/zinc/82/42/96/1170824296.db2.gz GHEHMGBJCSDAOQ-WCXIOVBPSA-N 2 1 366.506 0.201 20 0 FCADMP CCn1cc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777451 1170824814 /nfs/dbraw/zinc/82/48/14/1170824814.db2.gz BFFGVRKLHVXJLX-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777451 1170824816 /nfs/dbraw/zinc/82/48/16/1170824816.db2.gz BFFGVRKLHVXJLX-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777451 1170824819 /nfs/dbraw/zinc/82/48/19/1170824819.db2.gz BFFGVRKLHVXJLX-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777451 1170824822 /nfs/dbraw/zinc/82/48/22/1170824822.db2.gz BFFGVRKLHVXJLX-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC001022276977 1170824931 /nfs/dbraw/zinc/82/49/31/1170824931.db2.gz UINRRJYAVYMWGD-WCXIOVBPSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC001022276977 1170824935 /nfs/dbraw/zinc/82/49/35/1170824935.db2.gz UINRRJYAVYMWGD-WCXIOVBPSA-N 2 1 366.506 0.345 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CCC(=O)NC1=O ZINC001691181037 1170851578 /nfs/dbraw/zinc/85/15/78/1170851578.db2.gz OHGKUZSHXSTQQG-RRFJBIMHSA-N 2 1 352.479 0.350 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@@H]1CCC(=O)NC1=O ZINC001691181037 1170851579 /nfs/dbraw/zinc/85/15/79/1170851579.db2.gz OHGKUZSHXSTQQG-RRFJBIMHSA-N 2 1 352.479 0.350 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@@H]1CCC(=O)NC1=O ZINC001691181037 1170851581 /nfs/dbraw/zinc/85/15/81/1170851581.db2.gz OHGKUZSHXSTQQG-RRFJBIMHSA-N 2 1 352.479 0.350 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C[C@]2(C)C1 ZINC000891830105 1170891655 /nfs/dbraw/zinc/89/16/55/1170891655.db2.gz MPARLHOYFCVKBM-XLIONFOSSA-N 2 1 372.517 0.927 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988751218 1192437968 /nfs/dbraw/zinc/43/79/68/1192437968.db2.gz KBRVZZNMMAFLAT-IKGGRYGDSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1nccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001022426723 1171056086 /nfs/dbraw/zinc/05/60/86/1171056086.db2.gz MRKAWWDENBHKKR-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022426723 1171056094 /nfs/dbraw/zinc/05/60/94/1171056094.db2.gz MRKAWWDENBHKKR-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001022426723 1171056103 /nfs/dbraw/zinc/05/61/03/1171056103.db2.gz MRKAWWDENBHKKR-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001691324490 1171097480 /nfs/dbraw/zinc/09/74/80/1171097480.db2.gz IJTOWESNTXKQBD-MGPQQGTHSA-N 2 1 351.451 0.698 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC001022516848 1171353110 /nfs/dbraw/zinc/35/31/10/1171353110.db2.gz ZSYUFQUXWSWCHO-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](O)CN1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)c3)[C@H]2C1 ZINC001083239221 1171634698 /nfs/dbraw/zinc/63/46/98/1171634698.db2.gz ZGFWPPFIWKEPRL-JCGIZDLHSA-N 2 1 356.426 0.778 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972142189 1171795847 /nfs/dbraw/zinc/79/58/47/1171795847.db2.gz JJRBXPXLGOTVFL-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022718202 1171807405 /nfs/dbraw/zinc/80/74/05/1171807405.db2.gz SNZVOERKFUGXBP-RYQLBKOJSA-N 2 1 362.518 0.872 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[N@H+](C)C1 ZINC000329068457 1171871049 /nfs/dbraw/zinc/87/10/49/1171871049.db2.gz XOLPPVUSAXNRHF-BJLQDIEVSA-N 2 1 361.486 0.801 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[N@@H+](C)C1 ZINC000329068457 1171871053 /nfs/dbraw/zinc/87/10/53/1171871053.db2.gz XOLPPVUSAXNRHF-BJLQDIEVSA-N 2 1 361.486 0.801 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[NH+](C)C1 ZINC000329068457 1171871058 /nfs/dbraw/zinc/87/10/58/1171871058.db2.gz XOLPPVUSAXNRHF-BJLQDIEVSA-N 2 1 361.486 0.801 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C1 ZINC000329068457 1171871061 /nfs/dbraw/zinc/87/10/61/1171871061.db2.gz XOLPPVUSAXNRHF-BJLQDIEVSA-N 2 1 361.486 0.801 20 0 FCADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892266562 1171874457 /nfs/dbraw/zinc/87/44/57/1171874457.db2.gz KDTBGGDECDQQAW-IRXDYDNUSA-N 2 1 365.522 0.224 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC000972243221 1171880099 /nfs/dbraw/zinc/88/00/99/1171880099.db2.gz RTIWWZLEQLMINR-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000972252236 1171888260 /nfs/dbraw/zinc/88/82/60/1171888260.db2.gz BHEQSNSZKPPKMF-BRWVUGGUSA-N 2 1 371.485 0.916 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC000972255578 1171889351 /nfs/dbraw/zinc/88/93/51/1171889351.db2.gz WCMFLENEPIDGSD-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC000972255578 1171889352 /nfs/dbraw/zinc/88/93/52/1171889352.db2.gz WCMFLENEPIDGSD-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892275608 1171956611 /nfs/dbraw/zinc/95/66/11/1171956611.db2.gz YYFTVEAYABOEET-DLBZAZTESA-N 2 1 365.522 0.367 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C)C(N)=O ZINC001104424560 1171973051 /nfs/dbraw/zinc/97/30/51/1171973051.db2.gz KSYIUYUWFTVZDZ-QLFBSQMISA-N 2 1 361.490 0.710 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249503 1172020548 /nfs/dbraw/zinc/02/05/48/1172020548.db2.gz ICAJFSTZKXWAAN-ZNMIVQPWSA-N 2 1 371.428 0.418 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249503 1172020558 /nfs/dbraw/zinc/02/05/58/1172020558.db2.gz ICAJFSTZKXWAAN-ZNMIVQPWSA-N 2 1 371.428 0.418 20 0 FCADMP Cc1ccccc1CN1CCO[C@H](CNC(=O)NC[C@@H]2COCCN2)C1 ZINC000892288736 1172020991 /nfs/dbraw/zinc/02/09/91/1172020991.db2.gz GLBMFMOIBUECPH-QZTJIDSGSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCCN1CCCC1=O ZINC001088658664 1192806226 /nfs/dbraw/zinc/80/62/26/1192806226.db2.gz OFSNUKBDHFSKCU-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCCN1CCCC1=O ZINC001088658664 1192806230 /nfs/dbraw/zinc/80/62/30/1192806230.db2.gz OFSNUKBDHFSKCU-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCCN1CCCC1=O ZINC001088658664 1192806231 /nfs/dbraw/zinc/80/62/31/1192806231.db2.gz OFSNUKBDHFSKCU-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCCN1CCCC1=O ZINC001088658664 1192806232 /nfs/dbraw/zinc/80/62/32/1192806232.db2.gz OFSNUKBDHFSKCU-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000897649532 1192840226 /nfs/dbraw/zinc/84/02/26/1192840226.db2.gz TVEQATGXMLQKPS-GJZGRUSLSA-N 2 1 359.474 0.718 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000897669444 1192840527 /nfs/dbraw/zinc/84/05/27/1192840527.db2.gz UQTBWLGQSOYNQG-WBVHZDCISA-N 2 1 371.485 0.719 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@H+]1C ZINC000897717574 1192843998 /nfs/dbraw/zinc/84/39/98/1192843998.db2.gz UFCOFPZSGSYMSV-PMPSAXMXSA-N 2 1 359.474 0.718 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000898129006 1192859126 /nfs/dbraw/zinc/85/91/26/1192859126.db2.gz XLDKRAMZYLXTQH-CVEARBPZSA-N 2 1 359.474 0.719 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547910 1192870185 /nfs/dbraw/zinc/87/01/85/1192870185.db2.gz SCXBQEMUGCPHTB-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001691547910 1192870189 /nfs/dbraw/zinc/87/01/89/1192870189.db2.gz SCXBQEMUGCPHTB-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001691547910 1192870190 /nfs/dbraw/zinc/87/01/90/1192870190.db2.gz SCXBQEMUGCPHTB-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211564847 1178861153 /nfs/dbraw/zinc/86/11/53/1178861153.db2.gz AMIFBNVONXYUJO-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211564847 1178861154 /nfs/dbraw/zinc/86/11/54/1178861154.db2.gz AMIFBNVONXYUJO-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CC[NH+]1CCN(CCCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478526 1179161923 /nfs/dbraw/zinc/16/19/23/1179161923.db2.gz UHQYTFZSPCEHMI-KRWDZBQOSA-N 2 1 365.522 0.810 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001023450094 1179750974 /nfs/dbraw/zinc/75/09/74/1179750974.db2.gz DSDSAEAIKCIZMG-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001023450094 1179750980 /nfs/dbraw/zinc/75/09/80/1179750980.db2.gz DSDSAEAIKCIZMG-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CCc3cnn(C)c3)C2)O1 ZINC001023450094 1179750987 /nfs/dbraw/zinc/75/09/87/1179750987.db2.gz DSDSAEAIKCIZMG-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCc3cnn(C)c3)C2)O1 ZINC001023450094 1179750995 /nfs/dbraw/zinc/75/09/95/1179750995.db2.gz DSDSAEAIKCIZMG-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP CC(C)n1nnnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001087245807 1179956821 /nfs/dbraw/zinc/95/68/21/1179956821.db2.gz LPPDNEVFGGQJGN-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001087245807 1179956834 /nfs/dbraw/zinc/95/68/34/1179956834.db2.gz LPPDNEVFGGQJGN-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001087245807 1179956843 /nfs/dbraw/zinc/95/68/43/1179956843.db2.gz LPPDNEVFGGQJGN-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001087245998 1179958511 /nfs/dbraw/zinc/95/85/11/1179958511.db2.gz USYIPNKEOJKJRS-CVEARBPZSA-N 2 1 363.510 0.896 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC000972607486 1179971121 /nfs/dbraw/zinc/97/11/21/1179971121.db2.gz JNZMRYGAZULRPP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)CC[N@H+]1C ZINC000972637857 1180088568 /nfs/dbraw/zinc/08/85/68/1180088568.db2.gz DAHYXQRGJKVPIX-QBPKDAKJSA-N 2 1 362.518 0.870 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001023843561 1180390181 /nfs/dbraw/zinc/39/01/81/1180390181.db2.gz OSDGNXXAWYNXKH-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024038484 1180805802 /nfs/dbraw/zinc/80/58/02/1180805802.db2.gz HJRGBDDLORFFRB-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024038484 1180805807 /nfs/dbraw/zinc/80/58/07/1180805807.db2.gz HJRGBDDLORFFRB-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024120445 1180853887 /nfs/dbraw/zinc/85/38/87/1180853887.db2.gz CWSRECHDYCOJGU-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001024503519 1181252337 /nfs/dbraw/zinc/25/23/37/1181252337.db2.gz GFQBUEPALULXPZ-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001024503518 1181253138 /nfs/dbraw/zinc/25/31/38/1181253138.db2.gz GFQBUEPALULXPZ-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001691766083 1181485106 /nfs/dbraw/zinc/48/51/06/1181485106.db2.gz LJOVJOZSLKBJPK-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CCn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939867 1181548083 /nfs/dbraw/zinc/54/80/83/1181548083.db2.gz WJUILFJQKDKEPB-LPHOPBHVSA-N 2 1 363.506 0.952 20 0 FCADMP CCn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939867 1181548093 /nfs/dbraw/zinc/54/80/93/1181548093.db2.gz WJUILFJQKDKEPB-LPHOPBHVSA-N 2 1 363.506 0.952 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000892523022 1181728331 /nfs/dbraw/zinc/72/83/31/1181728331.db2.gz ANSOMMWQBAYCTO-UHFFFAOYSA-N 2 1 357.462 0.963 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000892536633 1181782735 /nfs/dbraw/zinc/78/27/35/1181782735.db2.gz RWFYUIANHBNNRG-SFHVURJKSA-N 2 1 364.490 0.813 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000892536633 1181782741 /nfs/dbraw/zinc/78/27/41/1181782741.db2.gz RWFYUIANHBNNRG-SFHVURJKSA-N 2 1 364.490 0.813 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024999474 1181846518 /nfs/dbraw/zinc/84/65/18/1181846518.db2.gz WTBFHERJBRFSLY-ZTFGCOKTSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024999474 1181846519 /nfs/dbraw/zinc/84/65/19/1181846519.db2.gz WTBFHERJBRFSLY-ZTFGCOKTSA-N 2 1 363.506 0.918 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001104582378 1182251197 /nfs/dbraw/zinc/25/11/97/1182251197.db2.gz XRNRRGIQHFBWMM-KURKYZTESA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001104582378 1182251199 /nfs/dbraw/zinc/25/11/99/1182251199.db2.gz XRNRRGIQHFBWMM-KURKYZTESA-N 2 1 371.522 0.179 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000973550418 1182381006 /nfs/dbraw/zinc/38/10/06/1182381006.db2.gz KTFZDYLTEXOUPJ-RFBLXINOSA-N 2 1 359.474 0.629 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758757 1182481841 /nfs/dbraw/zinc/48/18/41/1182481841.db2.gz LLJLPEJBCFKSBZ-QGZVFWFLSA-N 2 1 369.554 0.670 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)CC[NH+](C)C ZINC000892758757 1182481847 /nfs/dbraw/zinc/48/18/47/1182481847.db2.gz LLJLPEJBCFKSBZ-QGZVFWFLSA-N 2 1 369.554 0.670 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000892784577 1182503960 /nfs/dbraw/zinc/50/39/60/1182503960.db2.gz ITYYYQTZJHCPCB-SJORKVTESA-N 2 1 366.506 0.651 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000892784575 1182504157 /nfs/dbraw/zinc/50/41/57/1182504157.db2.gz ITYYYQTZJHCPCB-IAGOWNOFSA-N 2 1 366.506 0.651 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892802444 1182511757 /nfs/dbraw/zinc/51/17/57/1182511757.db2.gz MQKYJXQOFCYWBW-LJQANCHMSA-N 2 1 359.518 0.980 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[N@H+]1C ZINC001025794063 1182845941 /nfs/dbraw/zinc/84/59/41/1182845941.db2.gz RVTYDZPWFXGKLR-FFRIZKCHSA-N 2 1 362.518 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794063 1182845942 /nfs/dbraw/zinc/84/59/42/1182845942.db2.gz RVTYDZPWFXGKLR-FFRIZKCHSA-N 2 1 362.518 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794063 1182845944 /nfs/dbraw/zinc/84/59/44/1182845944.db2.gz RVTYDZPWFXGKLR-FFRIZKCHSA-N 2 1 362.518 0.772 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795357 1182923914 /nfs/dbraw/zinc/92/39/14/1182923914.db2.gz OGHBLTQICOUUAF-QZTJIDSGSA-N 2 1 371.522 0.446 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104795809 1182924154 /nfs/dbraw/zinc/92/41/54/1182924154.db2.gz XBYFJWLTVCFBRF-IAGOWNOFSA-N 2 1 364.494 0.075 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1ccnn1C ZINC001104796204 1182925425 /nfs/dbraw/zinc/92/54/25/1182925425.db2.gz NSMCTFMKTKACDZ-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001481231696 1182926479 /nfs/dbraw/zinc/92/64/79/1182926479.db2.gz LZDYHYFEGIGVSJ-JHJVBQTASA-N 2 1 353.492 0.858 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231964 1182929092 /nfs/dbraw/zinc/92/90/92/1182929092.db2.gz STSCGTKTWNZEJP-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104908805 1182990644 /nfs/dbraw/zinc/99/06/44/1182990644.db2.gz LLOVFDXULPBEFZ-IXDOHACOSA-N 2 1 365.522 0.428 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974130115 1183011715 /nfs/dbraw/zinc/01/17/15/1183011715.db2.gz TWBHWRYWHWEDKU-UHDSXZAQSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974130115 1183011718 /nfs/dbraw/zinc/01/17/18/1183011718.db2.gz TWBHWRYWHWEDKU-UHDSXZAQSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974130115 1183011728 /nfs/dbraw/zinc/01/17/28/1183011728.db2.gz TWBHWRYWHWEDKU-UHDSXZAQSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974130115 1183011734 /nfs/dbraw/zinc/01/17/34/1183011734.db2.gz TWBHWRYWHWEDKU-UHDSXZAQSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001105007666 1183065912 /nfs/dbraw/zinc/06/59/12/1183065912.db2.gz DHIRWRPJQIDMTR-NXHRZFHOSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001105007919 1183066052 /nfs/dbraw/zinc/06/60/52/1183066052.db2.gz IIPARUWUYUCXSA-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000974272204 1183083385 /nfs/dbraw/zinc/08/33/85/1183083385.db2.gz CFRBLDIEFZYDSY-WCXIOVBPSA-N 2 1 366.506 0.201 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000974272204 1183083394 /nfs/dbraw/zinc/08/33/94/1183083394.db2.gz CFRBLDIEFZYDSY-WCXIOVBPSA-N 2 1 366.506 0.201 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)C1 ZINC001105040291 1183088481 /nfs/dbraw/zinc/08/84/81/1183088481.db2.gz GCHHSFMOJDRDDY-OAGGEKHMSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)C1 ZINC001105040291 1183088487 /nfs/dbraw/zinc/08/84/87/1183088487.db2.gz GCHHSFMOJDRDDY-OAGGEKHMSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001105040843 1183089166 /nfs/dbraw/zinc/08/91/66/1183089166.db2.gz RCONECHGCXSGDC-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001105040843 1183089174 /nfs/dbraw/zinc/08/91/74/1183089174.db2.gz RCONECHGCXSGDC-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042069 1183090053 /nfs/dbraw/zinc/09/00/53/1183090053.db2.gz MXVBBKFIAQCMFI-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042069 1183090059 /nfs/dbraw/zinc/09/00/59/1183090059.db2.gz MXVBBKFIAQCMFI-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064399 1183098264 /nfs/dbraw/zinc/09/82/64/1183098264.db2.gz NEDYDEHAFAVZQO-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001105067033 1183101084 /nfs/dbraw/zinc/10/10/84/1183101084.db2.gz KAQVIPKQZJHPMD-KURKYZTESA-N 2 1 365.522 0.658 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105066914 1183101269 /nfs/dbraw/zinc/10/12/69/1183101269.db2.gz GFFZKNMZCSVPPO-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP COc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001026514460 1183145957 /nfs/dbraw/zinc/14/59/57/1183145957.db2.gz DZDFMVPBXMQXEP-UWLZSVRSSA-N 2 1 366.462 0.919 20 0 FCADMP CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243495 1183151686 /nfs/dbraw/zinc/15/16/86/1183151686.db2.gz ALTRUSQKNOOTMB-DLBZAZTESA-N 2 1 364.494 0.518 20 0 FCADMP CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243495 1183151695 /nfs/dbraw/zinc/15/16/95/1183151695.db2.gz ALTRUSQKNOOTMB-DLBZAZTESA-N 2 1 364.494 0.518 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974446819 1183214670 /nfs/dbraw/zinc/21/46/70/1183214670.db2.gz WXFKJVAUBARMQH-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974446819 1183214681 /nfs/dbraw/zinc/21/46/81/1183214681.db2.gz WXFKJVAUBARMQH-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974468941 1183227268 /nfs/dbraw/zinc/22/72/68/1183227268.db2.gz OZQZSTDUJQTJSI-HYVNUMGLSA-N 2 1 359.474 0.804 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C)[C@@H]2C1 ZINC000974468941 1183227273 /nfs/dbraw/zinc/22/72/73/1183227273.db2.gz OZQZSTDUJQTJSI-HYVNUMGLSA-N 2 1 359.474 0.804 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000974545648 1183327903 /nfs/dbraw/zinc/32/79/03/1183327903.db2.gz UYQIKMRGFRCKOR-KZNAEPCWSA-N 2 1 371.485 0.593 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974567017 1183337352 /nfs/dbraw/zinc/33/73/52/1183337352.db2.gz SZJPEINXVQLGJF-BRWVUGGUSA-N 2 1 360.502 0.768 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)n3C)C2)CC[N@H+]1C ZINC001026852907 1183416092 /nfs/dbraw/zinc/41/60/92/1183416092.db2.gz SUJJZRGXEBKBGY-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(C4CC4)nn3C)C2)CC[N@H+]1C ZINC001026853190 1183417159 /nfs/dbraw/zinc/41/71/59/1183417159.db2.gz AEVLOGHATQXYHK-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP COCCc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001026853887 1183424890 /nfs/dbraw/zinc/42/48/90/1183424890.db2.gz VDAZHXZPWQVBCP-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001026853887 1183424897 /nfs/dbraw/zinc/42/48/97/1183424897.db2.gz VDAZHXZPWQVBCP-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916073 1183490186 /nfs/dbraw/zinc/49/01/86/1183490186.db2.gz ZXOMYEQPPHXMSP-IJEWVQPXSA-N 2 1 363.462 0.142 20 0 FCADMP COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916073 1183490191 /nfs/dbraw/zinc/49/01/91/1183490191.db2.gz ZXOMYEQPPHXMSP-IJEWVQPXSA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000978874064 1186016288 /nfs/dbraw/zinc/01/62/88/1186016288.db2.gz JAPYLIKEVFKRGL-AGTSVGGPSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000978979884 1186042160 /nfs/dbraw/zinc/04/21/60/1186042160.db2.gz VNVNHNBFBPEXEH-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000978979884 1186042166 /nfs/dbraw/zinc/04/21/66/1186042166.db2.gz VNVNHNBFBPEXEH-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000978979884 1186042171 /nfs/dbraw/zinc/04/21/71/1186042171.db2.gz VNVNHNBFBPEXEH-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000978979884 1186042176 /nfs/dbraw/zinc/04/21/76/1186042176.db2.gz VNVNHNBFBPEXEH-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112529796 1186093246 /nfs/dbraw/zinc/09/32/46/1186093246.db2.gz PPPAOZBOYHLXCD-LNLFQRSKSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000979871324 1186132923 /nfs/dbraw/zinc/13/29/23/1186132923.db2.gz JAPYLIKEVFKRGL-TWPTVVAISA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000979977093 1186147172 /nfs/dbraw/zinc/14/71/72/1186147172.db2.gz HMJZJUCVHXMLQN-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000979977093 1186147175 /nfs/dbraw/zinc/14/71/75/1186147175.db2.gz HMJZJUCVHXMLQN-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000979977093 1186147181 /nfs/dbraw/zinc/14/71/81/1186147181.db2.gz HMJZJUCVHXMLQN-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000979977093 1186147184 /nfs/dbraw/zinc/14/71/84/1186147184.db2.gz HMJZJUCVHXMLQN-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001481514281 1186214646 /nfs/dbraw/zinc/21/46/46/1186214646.db2.gz VXQPHFHPZKTAEG-VNHYZAJKSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481514281 1186214650 /nfs/dbraw/zinc/21/46/50/1186214650.db2.gz VXQPHFHPZKTAEG-VNHYZAJKSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481514281 1186214660 /nfs/dbraw/zinc/21/46/60/1186214660.db2.gz VXQPHFHPZKTAEG-VNHYZAJKSA-N 2 1 367.494 0.080 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000981092041 1186322338 /nfs/dbraw/zinc/32/23/38/1186322338.db2.gz PYTRXMNFISZFCE-UAGQMJEPSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000981092041 1186322343 /nfs/dbraw/zinc/32/23/43/1186322343.db2.gz PYTRXMNFISZFCE-UAGQMJEPSA-N 2 1 366.506 0.060 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981377073 1186405639 /nfs/dbraw/zinc/40/56/39/1186405639.db2.gz XHNZWPFUYQZKIC-YESZJQIVSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)N(C)C)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282498 1186696963 /nfs/dbraw/zinc/69/69/63/1186696963.db2.gz AUFUSSJYBZBMII-ACZWYYKOSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+](CC(=O)N(C)C)C[C@]3(C)C2)CC[NH+]1C ZINC000982282498 1186696969 /nfs/dbraw/zinc/69/69/69/1186696969.db2.gz AUFUSSJYBZBMII-ACZWYYKOSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)N(C)C)C[C@]3(C)C2)CC[NH+]1C ZINC000982282498 1186696972 /nfs/dbraw/zinc/69/69/72/1186696972.db2.gz AUFUSSJYBZBMII-ACZWYYKOSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927636410 1187543972 /nfs/dbraw/zinc/54/39/72/1187543972.db2.gz FNDJTFLQBZBBRR-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636410 1187543981 /nfs/dbraw/zinc/54/39/81/1187543981.db2.gz FNDJTFLQBZBBRR-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636410 1187543992 /nfs/dbraw/zinc/54/39/92/1187543992.db2.gz FNDJTFLQBZBBRR-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028552268 1187604147 /nfs/dbraw/zinc/60/41/47/1187604147.db2.gz KLZDPHYUGLXSAK-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028552268 1187604149 /nfs/dbraw/zinc/60/41/49/1187604149.db2.gz KLZDPHYUGLXSAK-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCCn1nnnc1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552023 1187604226 /nfs/dbraw/zinc/60/42/26/1187604226.db2.gz DNRXMXHXOBEMMO-HRCADAONSA-N 2 1 363.510 0.752 20 0 FCADMP Cn1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1=O ZINC001028605035 1187747223 /nfs/dbraw/zinc/74/72/23/1187747223.db2.gz JPQOHVUFLRLHJB-ARFHVFGLSA-N 2 1 355.442 0.850 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1=O ZINC001028605035 1187747227 /nfs/dbraw/zinc/74/72/27/1187747227.db2.gz JPQOHVUFLRLHJB-ARFHVFGLSA-N 2 1 355.442 0.850 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982925611 1187793248 /nfs/dbraw/zinc/79/32/48/1187793248.db2.gz LOCXIXVIIHJDQO-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982925611 1187793254 /nfs/dbraw/zinc/79/32/54/1187793254.db2.gz LOCXIXVIIHJDQO-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccc(-n2ccnc2)cc1 ZINC001077465614 1187966876 /nfs/dbraw/zinc/96/68/76/1187966876.db2.gz HMJYBSXMZALENT-BMGDILEWSA-N 2 1 356.426 0.684 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccc(-n2ccnc2)cc1 ZINC001077465615 1187967195 /nfs/dbraw/zinc/96/71/95/1187967195.db2.gz HMJYBSXMZALENT-ZTFGCOKTSA-N 2 1 356.426 0.684 20 0 FCADMP C[NH+](C)CCC(=O)N1CCc2[nH]nc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001270062451 1187984162 /nfs/dbraw/zinc/98/41/62/1187984162.db2.gz YZOCRFDBVQHDDJ-UHFFFAOYSA-N 2 1 362.478 0.070 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001270155128 1188032402 /nfs/dbraw/zinc/03/24/02/1188032402.db2.gz GZZXMLCKEZUERE-INIZCTEOSA-N 2 1 359.474 0.818 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033760 1188212960 /nfs/dbraw/zinc/21/29/60/1188212960.db2.gz HLACFYDTXWFAIX-PKOBYXMFSA-N 2 1 372.513 0.876 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000785400007 1188220771 /nfs/dbraw/zinc/22/07/71/1188220771.db2.gz SNTVPNMBEAORMZ-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000550098976 1188223858 /nfs/dbraw/zinc/22/38/58/1188223858.db2.gz YCAKADGFYWPAQD-KRWDZBQOSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983676809 1188255493 /nfs/dbraw/zinc/25/54/93/1188255493.db2.gz ZBTNQZCAJWUNLE-IKGGRYGDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC000983708715 1188277537 /nfs/dbraw/zinc/27/75/37/1188277537.db2.gz MTDIVOIOUYRXBR-HCZIRCDUSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@H]([NH2+]Cc1nncn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111133 1188291512 /nfs/dbraw/zinc/29/15/12/1188291512.db2.gz BPFXNOWWQUDBHU-IJEWVQPXSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@H]([NH2+]Cc1nncn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111133 1188291519 /nfs/dbraw/zinc/29/15/19/1188291519.db2.gz BPFXNOWWQUDBHU-IJEWVQPXSA-N 2 1 364.494 0.251 20 0 FCADMP CCOc1ccccc1C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262122502 1188414534 /nfs/dbraw/zinc/41/45/34/1188414534.db2.gz NJEDECGDTMWFCP-UHFFFAOYSA-N 2 1 374.485 0.665 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCCc1nc(C)no1 ZINC001087529382 1189383073 /nfs/dbraw/zinc/38/30/73/1189383073.db2.gz DUIWNXYCQAZFPP-ARFHVFGLSA-N 2 1 365.478 0.610 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087528785 1189383983 /nfs/dbraw/zinc/38/39/83/1189383983.db2.gz AHOALIFIPOKADW-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087528785 1189383990 /nfs/dbraw/zinc/38/39/90/1189383990.db2.gz AHOALIFIPOKADW-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1cc(OC)ccn1 ZINC001087529110 1189384124 /nfs/dbraw/zinc/38/41/24/1189384124.db2.gz QGENFKAOWREUJN-KSZLIROESA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1cc(OC)ccn1 ZINC001087529110 1189384127 /nfs/dbraw/zinc/38/41/27/1189384127.db2.gz QGENFKAOWREUJN-KSZLIROESA-N 2 1 362.474 0.890 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550455410 1189489211 /nfs/dbraw/zinc/48/92/11/1189489211.db2.gz KIVRJRYSGSASKH-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550455410 1189489225 /nfs/dbraw/zinc/48/92/25/1189489225.db2.gz KIVRJRYSGSASKH-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550455410 1189489234 /nfs/dbraw/zinc/48/92/34/1189489234.db2.gz KIVRJRYSGSASKH-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCN1CCNC1=O ZINC001087570006 1189605873 /nfs/dbraw/zinc/60/58/73/1189605873.db2.gz WRBFUMJDIPDKNK-GVDBMIGSSA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCN1CCNC1=O ZINC001087570006 1189605892 /nfs/dbraw/zinc/60/58/92/1189605892.db2.gz WRBFUMJDIPDKNK-GVDBMIGSSA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCN1CCNC1=O ZINC001087570006 1189605909 /nfs/dbraw/zinc/60/59/09/1189605909.db2.gz WRBFUMJDIPDKNK-GVDBMIGSSA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087574158 1189607554 /nfs/dbraw/zinc/60/75/54/1189607554.db2.gz VFKBQAPCZIPHMH-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593656 1189639062 /nfs/dbraw/zinc/63/90/62/1189639062.db2.gz PEJSEYKIUWANAV-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593656 1189639075 /nfs/dbraw/zinc/63/90/75/1189639075.db2.gz PEJSEYKIUWANAV-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593656 1189639096 /nfs/dbraw/zinc/63/90/96/1189639096.db2.gz PEJSEYKIUWANAV-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607392 1189867772 /nfs/dbraw/zinc/86/77/72/1189867772.db2.gz YCXNTVPDYLNXSZ-UYTYNIKBSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607392 1189867773 /nfs/dbraw/zinc/86/77/73/1189867773.db2.gz YCXNTVPDYLNXSZ-UYTYNIKBSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607392 1189867774 /nfs/dbraw/zinc/86/77/74/1189867774.db2.gz YCXNTVPDYLNXSZ-UYTYNIKBSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607392 1189867777 /nfs/dbraw/zinc/86/77/77/1189867777.db2.gz YCXNTVPDYLNXSZ-UYTYNIKBSA-N 2 1 368.522 0.725 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908938 1189893969 /nfs/dbraw/zinc/89/39/69/1189893969.db2.gz SWGIQMIFZMTDEK-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908938 1189893971 /nfs/dbraw/zinc/89/39/71/1189893971.db2.gz SWGIQMIFZMTDEK-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908938 1189893977 /nfs/dbraw/zinc/89/39/77/1189893977.db2.gz SWGIQMIFZMTDEK-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908938 1189893979 /nfs/dbraw/zinc/89/39/79/1189893979.db2.gz SWGIQMIFZMTDEK-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920564 1189906987 /nfs/dbraw/zinc/90/69/87/1189906987.db2.gz UCRGDPYFJQHDHT-SQNIBIBYSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920564 1189906999 /nfs/dbraw/zinc/90/69/99/1189906999.db2.gz UCRGDPYFJQHDHT-SQNIBIBYSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920564 1189907008 /nfs/dbraw/zinc/90/70/08/1189907008.db2.gz UCRGDPYFJQHDHT-SQNIBIBYSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920564 1189907017 /nfs/dbraw/zinc/90/70/17/1189907017.db2.gz UCRGDPYFJQHDHT-SQNIBIBYSA-N 2 1 361.490 0.074 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964655 1190012271 /nfs/dbraw/zinc/01/22/71/1190012271.db2.gz VFBZBDNNJALRHH-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964655 1190012275 /nfs/dbraw/zinc/01/22/75/1190012275.db2.gz VFBZBDNNJALRHH-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964655 1190012277 /nfs/dbraw/zinc/01/22/77/1190012277.db2.gz VFBZBDNNJALRHH-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000896228353 1190013629 /nfs/dbraw/zinc/01/36/29/1190013629.db2.gz FUIQZKSYSJCSHJ-KRWDZBQOSA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000896228353 1190013636 /nfs/dbraw/zinc/01/36/36/1190013636.db2.gz FUIQZKSYSJCSHJ-KRWDZBQOSA-N 2 1 363.506 0.515 20 0 FCADMP CCn1ncnc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971796 1190032270 /nfs/dbraw/zinc/03/22/70/1190032270.db2.gz UJWQTKYOHBXHNY-WCXIOVBPSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)Cn1c[nH+]cc1C ZINC000984730000 1190097380 /nfs/dbraw/zinc/09/73/80/1190097380.db2.gz NNRYJPHBHHHQBB-XHSDSOJGSA-N 2 1 363.462 0.018 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992621 1190143653 /nfs/dbraw/zinc/14/36/53/1190143653.db2.gz CNMLXSZPINNELY-IKGGRYGDSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999520 1190168880 /nfs/dbraw/zinc/16/88/80/1190168880.db2.gz PMKRQWUIQPCFDP-IKGGRYGDSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999520 1190168888 /nfs/dbraw/zinc/16/88/88/1190168888.db2.gz PMKRQWUIQPCFDP-IKGGRYGDSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999520 1190168893 /nfs/dbraw/zinc/16/88/93/1190168893.db2.gz PMKRQWUIQPCFDP-IKGGRYGDSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999520 1190168899 /nfs/dbraw/zinc/16/88/99/1190168899.db2.gz PMKRQWUIQPCFDP-IKGGRYGDSA-N 2 1 360.506 0.970 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088002798 1190183962 /nfs/dbraw/zinc/18/39/62/1190183962.db2.gz UKWFRYWYNSDQGD-AOIWGVFYSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011849 1190210394 /nfs/dbraw/zinc/21/03/94/1190210394.db2.gz GWEDJFDPQNLNKK-NRSFXHEJSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011849 1190210400 /nfs/dbraw/zinc/21/04/00/1190210400.db2.gz GWEDJFDPQNLNKK-NRSFXHEJSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011849 1190210405 /nfs/dbraw/zinc/21/04/05/1190210405.db2.gz GWEDJFDPQNLNKK-NRSFXHEJSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011849 1190210413 /nfs/dbraw/zinc/21/04/13/1190210413.db2.gz GWEDJFDPQNLNKK-NRSFXHEJSA-N 2 1 361.490 0.420 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088042163 1190299332 /nfs/dbraw/zinc/29/93/32/1190299332.db2.gz AOUAVAXQTSWUHX-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088042163 1190299337 /nfs/dbraw/zinc/29/93/37/1190299337.db2.gz AOUAVAXQTSWUHX-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106038 1190591839 /nfs/dbraw/zinc/59/18/39/1190591839.db2.gz LFXJCSAQOYPKPD-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106038 1190591842 /nfs/dbraw/zinc/59/18/42/1190591842.db2.gz LFXJCSAQOYPKPD-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106038 1190591846 /nfs/dbraw/zinc/59/18/46/1190591846.db2.gz LFXJCSAQOYPKPD-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106038 1190591848 /nfs/dbraw/zinc/59/18/48/1190591848.db2.gz LFXJCSAQOYPKPD-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105726 1190592649 /nfs/dbraw/zinc/59/26/49/1190592649.db2.gz AFPPGJJLVBANIQ-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105726 1190592659 /nfs/dbraw/zinc/59/26/59/1190592659.db2.gz AFPPGJJLVBANIQ-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105726 1190592667 /nfs/dbraw/zinc/59/26/67/1190592667.db2.gz AFPPGJJLVBANIQ-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088125971 1190619962 /nfs/dbraw/zinc/61/99/62/1190619962.db2.gz ISYZUMUEMWUSKV-PMPSAXMXSA-N 2 1 359.474 0.675 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088125971 1190619968 /nfs/dbraw/zinc/61/99/68/1190619968.db2.gz ISYZUMUEMWUSKV-PMPSAXMXSA-N 2 1 359.474 0.675 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000985164731 1190662080 /nfs/dbraw/zinc/66/20/80/1190662080.db2.gz VZTQQMMNDMNHTB-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnnn3C)C2)O1 ZINC001088335629 1190752493 /nfs/dbraw/zinc/75/24/93/1190752493.db2.gz JDHQIVZHGNSZSG-BFYDXBDKSA-N 2 1 364.494 0.395 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnnn3C)C2)O1 ZINC001088335629 1190752494 /nfs/dbraw/zinc/75/24/94/1190752494.db2.gz JDHQIVZHGNSZSG-BFYDXBDKSA-N 2 1 364.494 0.395 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985831328 1190827809 /nfs/dbraw/zinc/82/78/09/1190827809.db2.gz PYLJAXZVKFGFHO-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985831328 1190827811 /nfs/dbraw/zinc/82/78/11/1190827811.db2.gz PYLJAXZVKFGFHO-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985831326 1190827877 /nfs/dbraw/zinc/82/78/77/1190827877.db2.gz PYLJAXZVKFGFHO-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985831326 1190827878 /nfs/dbraw/zinc/82/78/78/1190827878.db2.gz PYLJAXZVKFGFHO-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986129580 1190900483 /nfs/dbraw/zinc/90/04/83/1190900483.db2.gz BHXCONXUQSACSL-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC000986366329 1190970420 /nfs/dbraw/zinc/97/04/20/1190970420.db2.gz GZSLBXDUIWCCAL-VYDXJSESSA-N 2 1 359.474 0.743 20 0 FCADMP CN1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC000986366329 1190970421 /nfs/dbraw/zinc/97/04/21/1190970421.db2.gz GZSLBXDUIWCCAL-VYDXJSESSA-N 2 1 359.474 0.743 20 0 FCADMP CN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1=O ZINC001029970580 1191050268 /nfs/dbraw/zinc/05/02/68/1191050268.db2.gz HSLXPJZHGSKFMG-BFYDXBDKSA-N 2 1 359.474 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC001029973754 1191057470 /nfs/dbraw/zinc/05/74/70/1191057470.db2.gz MQIKRDPXGQOVOZ-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC001029973754 1191057473 /nfs/dbraw/zinc/05/74/73/1191057473.db2.gz MQIKRDPXGQOVOZ-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC001029973754 1191057476 /nfs/dbraw/zinc/05/74/76/1191057476.db2.gz MQIKRDPXGQOVOZ-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)[C@H]3CCN(C)C3=O)CC2)O1 ZINC001029973754 1191057480 /nfs/dbraw/zinc/05/74/80/1191057480.db2.gz MQIKRDPXGQOVOZ-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988190949 1191157951 /nfs/dbraw/zinc/15/79/51/1191157951.db2.gz RIWCZZSDGCSECX-JLSDUUJJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000897468906 1191202006 /nfs/dbraw/zinc/20/20/06/1191202006.db2.gz BFAVZFCJJLMKQT-MRXNPFEDSA-N 2 1 365.522 0.844 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000897468905 1191202085 /nfs/dbraw/zinc/20/20/85/1191202085.db2.gz BFAVZFCJJLMKQT-INIZCTEOSA-N 2 1 365.522 0.844 20 0 FCADMP COc1nccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571548 1191207087 /nfs/dbraw/zinc/20/70/87/1191207087.db2.gz DZEVQQKPZZRUPK-COXVUDFISA-N 2 1 359.474 0.906 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571548 1191207090 /nfs/dbraw/zinc/20/70/90/1191207090.db2.gz DZEVQQKPZZRUPK-COXVUDFISA-N 2 1 359.474 0.906 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161632 1224143798 /nfs/dbraw/zinc/14/37/98/1224143798.db2.gz HTFYJPVFWNVLPC-XMTFNYHQSA-N 2 1 369.506 0.432 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161632 1224143800 /nfs/dbraw/zinc/14/38/00/1224143800.db2.gz HTFYJPVFWNVLPC-XMTFNYHQSA-N 2 1 369.506 0.432 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161632 1224143802 /nfs/dbraw/zinc/14/38/02/1224143802.db2.gz HTFYJPVFWNVLPC-XMTFNYHQSA-N 2 1 369.506 0.432 20 0 FCADMP CC(C)OCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161632 1224143804 /nfs/dbraw/zinc/14/38/04/1224143804.db2.gz HTFYJPVFWNVLPC-XMTFNYHQSA-N 2 1 369.506 0.432 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276778853 1224150835 /nfs/dbraw/zinc/15/08/35/1224150835.db2.gz MAYBKRJZFBRTDK-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)OCC[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276778853 1224150836 /nfs/dbraw/zinc/15/08/36/1224150836.db2.gz MAYBKRJZFBRTDK-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276778853 1224150838 /nfs/dbraw/zinc/15/08/38/1224150838.db2.gz MAYBKRJZFBRTDK-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989997640 1193776359 /nfs/dbraw/zinc/77/63/59/1193776359.db2.gz QJPZXOHEHJVTRW-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989997640 1193776361 /nfs/dbraw/zinc/77/63/61/1193776361.db2.gz QJPZXOHEHJVTRW-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000551075171 1193831897 /nfs/dbraw/zinc/83/18/97/1193831897.db2.gz SUBSCOMCCXZZKV-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000551160103 1193837795 /nfs/dbraw/zinc/83/77/95/1193837795.db2.gz ZPLFCBVMZVCYPF-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)cn1 ZINC001218550575 1224171557 /nfs/dbraw/zinc/17/15/57/1224171557.db2.gz FNGKGQKLBHRTKZ-DLBZAZTESA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)cn1 ZINC001218550575 1224171560 /nfs/dbraw/zinc/17/15/60/1224171560.db2.gz FNGKGQKLBHRTKZ-DLBZAZTESA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105641467 1193844909 /nfs/dbraw/zinc/84/49/09/1193844909.db2.gz BNWBHNABLJAJDX-GTACMHHNSA-N 2 1 368.522 0.168 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083473942 1193905804 /nfs/dbraw/zinc/90/58/04/1193905804.db2.gz GEWWSHMRQVDSEH-MANSERQUSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473942 1193905808 /nfs/dbraw/zinc/90/58/08/1193905808.db2.gz GEWWSHMRQVDSEH-MANSERQUSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083473942 1193905813 /nfs/dbraw/zinc/90/58/13/1193905813.db2.gz GEWWSHMRQVDSEH-MANSERQUSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083473942 1193905816 /nfs/dbraw/zinc/90/58/16/1193905816.db2.gz GEWWSHMRQVDSEH-MANSERQUSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083473942 1193905822 /nfs/dbraw/zinc/90/58/22/1193905822.db2.gz GEWWSHMRQVDSEH-MANSERQUSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474910 1193907186 /nfs/dbraw/zinc/90/71/86/1193907186.db2.gz HFRVSORLUVEGIY-LIRZEXBASA-N 2 1 373.457 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474910 1193907191 /nfs/dbraw/zinc/90/71/91/1193907191.db2.gz HFRVSORLUVEGIY-LIRZEXBASA-N 2 1 373.457 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[NH+]1C ZINC001083474910 1193907196 /nfs/dbraw/zinc/90/71/96/1193907196.db2.gz HFRVSORLUVEGIY-LIRZEXBASA-N 2 1 373.457 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[NH+]1C ZINC001083474910 1193907199 /nfs/dbraw/zinc/90/71/99/1193907199.db2.gz HFRVSORLUVEGIY-LIRZEXBASA-N 2 1 373.457 0.614 20 0 FCADMP O=C(CN1C[C@@H]2CCN(C(=O)c3ccn4cncc4c3)[C@@H]2C1)NC1CC1 ZINC001075993423 1193929588 /nfs/dbraw/zinc/92/95/88/1193929588.db2.gz USCZAUBWQQMZOD-WMLDXEAASA-N 2 1 353.426 0.759 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000552472752 1193933556 /nfs/dbraw/zinc/93/35/56/1193933556.db2.gz MAYVQYCSWNOBDE-OAHLLOKOSA-N 2 1 362.474 0.831 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000552495817 1193934413 /nfs/dbraw/zinc/93/44/13/1193934413.db2.gz UEJQYMNLHRVUAX-KRWDZBQOSA-N 2 1 358.486 0.760 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000552487030 1193936274 /nfs/dbraw/zinc/93/62/74/1193936274.db2.gz FJSGEHJNDNRKFQ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000552487030 1193936276 /nfs/dbraw/zinc/93/62/76/1193936276.db2.gz FJSGEHJNDNRKFQ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487030 1193936278 /nfs/dbraw/zinc/93/62/78/1193936278.db2.gz FJSGEHJNDNRKFQ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487030 1193936280 /nfs/dbraw/zinc/93/62/80/1193936280.db2.gz FJSGEHJNDNRKFQ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000552539008 1193938300 /nfs/dbraw/zinc/93/83/00/1193938300.db2.gz VBYJTQYOZXMWDR-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000552539008 1193938305 /nfs/dbraw/zinc/93/83/05/1193938305.db2.gz VBYJTQYOZXMWDR-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552748847 1193950029 /nfs/dbraw/zinc/95/00/29/1193950029.db2.gz KPVHLIUVPIOZBT-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105668645 1193953189 /nfs/dbraw/zinc/95/31/89/1193953189.db2.gz XZSMQCHDSNDAIR-OHDICMOHSA-N 2 1 368.522 0.170 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000553096953 1193971231 /nfs/dbraw/zinc/97/12/31/1193971231.db2.gz LVBWJEJHLXRPJZ-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000553396870 1193993565 /nfs/dbraw/zinc/99/35/65/1193993565.db2.gz JQXSWGWDIUVHSI-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553514195 1194003664 /nfs/dbraw/zinc/00/36/64/1194003664.db2.gz KCAQKSYAXCDQCF-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553506916 1194003971 /nfs/dbraw/zinc/00/39/71/1194003971.db2.gz QXZMMZAYISTCAV-OAHLLOKOSA-N 2 1 365.526 0.284 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553506916 1194003975 /nfs/dbraw/zinc/00/39/75/1194003975.db2.gz QXZMMZAYISTCAV-OAHLLOKOSA-N 2 1 365.526 0.284 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC000553850482 1194021653 /nfs/dbraw/zinc/02/16/53/1194021653.db2.gz JEKSVAUKTAOFRU-AJPWXKBRSA-N 2 1 372.469 0.734 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC000553850482 1194021657 /nfs/dbraw/zinc/02/16/57/1194021657.db2.gz JEKSVAUKTAOFRU-AJPWXKBRSA-N 2 1 372.469 0.734 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505569 1194051716 /nfs/dbraw/zinc/05/17/16/1194051716.db2.gz TUTYHHWBTKYGOD-QYZOEREBSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505569 1194051719 /nfs/dbraw/zinc/05/17/19/1194051719.db2.gz TUTYHHWBTKYGOD-QYZOEREBSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505569 1194051724 /nfs/dbraw/zinc/05/17/24/1194051724.db2.gz TUTYHHWBTKYGOD-QYZOEREBSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505569 1194051728 /nfs/dbraw/zinc/05/17/28/1194051728.db2.gz TUTYHHWBTKYGOD-QYZOEREBSA-N 2 1 361.486 0.715 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188615 1194084624 /nfs/dbraw/zinc/08/46/24/1194084624.db2.gz IZPAQJVZCVOPMF-XLIONFOSSA-N 2 1 374.485 0.119 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@@H]21 ZINC000842230188 1194110113 /nfs/dbraw/zinc/11/01/13/1194110113.db2.gz WMCKKQKTEVNMMV-MSOLQXFVSA-N 2 1 358.486 0.747 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518734 1194124684 /nfs/dbraw/zinc/12/46/84/1194124684.db2.gz OCEKKDKUEOCVFM-JQHSSLGASA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518734 1194124687 /nfs/dbraw/zinc/12/46/87/1194124687.db2.gz OCEKKDKUEOCVFM-JQHSSLGASA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518734 1194124690 /nfs/dbraw/zinc/12/46/90/1194124690.db2.gz OCEKKDKUEOCVFM-JQHSSLGASA-N 2 1 363.506 0.102 20 0 FCADMP Nc1cccnc1N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C1CC[NH2+]CC1 ZINC001218695425 1224198062 /nfs/dbraw/zinc/19/80/62/1224198062.db2.gz WIEDHYUJBCKSMM-MRXNPFEDSA-N 2 1 358.490 0.623 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076053200 1194270473 /nfs/dbraw/zinc/27/04/73/1194270473.db2.gz UIGIWOZKRSCTDY-JCGIZDLHSA-N 2 1 371.485 0.573 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076053200 1194270484 /nfs/dbraw/zinc/27/04/84/1194270484.db2.gz UIGIWOZKRSCTDY-JCGIZDLHSA-N 2 1 371.485 0.573 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076049491 1194274220 /nfs/dbraw/zinc/27/42/20/1194274220.db2.gz BPBRUBWVYJKQNA-YESZJQIVSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076049491 1194274227 /nfs/dbraw/zinc/27/42/27/1194274227.db2.gz BPBRUBWVYJKQNA-YESZJQIVSA-N 2 1 359.474 0.734 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001076085963 1194298557 /nfs/dbraw/zinc/29/85/57/1194298557.db2.gz JYVJQQYVRQPVSC-WDYCEAGBSA-N 2 1 360.502 0.672 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001076085963 1194298561 /nfs/dbraw/zinc/29/85/61/1194298561.db2.gz JYVJQQYVRQPVSC-WDYCEAGBSA-N 2 1 360.502 0.672 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107338 1194308803 /nfs/dbraw/zinc/30/88/03/1194308803.db2.gz QSLUVACZLTVUSJ-YESZJQIVSA-N 2 1 359.474 0.722 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076107302 1194309110 /nfs/dbraw/zinc/30/91/10/1194309110.db2.gz PPNVOKAAOWZBCF-RYQLBKOJSA-N 2 1 371.485 0.959 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001691626547 1194322385 /nfs/dbraw/zinc/32/23/85/1194322385.db2.gz JEDHXAYXRXMHJK-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001076177325 1194339436 /nfs/dbraw/zinc/33/94/36/1194339436.db2.gz VVNBNXOTLQNTGV-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001076177325 1194339439 /nfs/dbraw/zinc/33/94/39/1194339439.db2.gz VVNBNXOTLQNTGV-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001076177325 1194339446 /nfs/dbraw/zinc/33/94/46/1194339446.db2.gz VVNBNXOTLQNTGV-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001076177325 1194339451 /nfs/dbraw/zinc/33/94/51/1194339451.db2.gz VVNBNXOTLQNTGV-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001076177325 1194339455 /nfs/dbraw/zinc/33/94/55/1194339455.db2.gz VVNBNXOTLQNTGV-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001076186219 1194344903 /nfs/dbraw/zinc/34/49/03/1194344903.db2.gz ARZQCJCITGNARF-XYJFISCASA-N 2 1 369.473 0.578 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001076186219 1194344906 /nfs/dbraw/zinc/34/49/06/1194344906.db2.gz ARZQCJCITGNARF-XYJFISCASA-N 2 1 369.473 0.578 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC1 ZINC001076397467 1194442637 /nfs/dbraw/zinc/44/26/37/1194442637.db2.gz OOFRFILTNSUXLI-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC1 ZINC001076397467 1194442639 /nfs/dbraw/zinc/44/26/39/1194442639.db2.gz OOFRFILTNSUXLI-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447271 1194501605 /nfs/dbraw/zinc/50/16/05/1194501605.db2.gz ZVAFJUZFNFMCJO-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447271 1194501608 /nfs/dbraw/zinc/50/16/08/1194501608.db2.gz ZVAFJUZFNFMCJO-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795546 1224223682 /nfs/dbraw/zinc/22/36/82/1224223682.db2.gz LYWKMYKXPVNPHY-BEFAXECRSA-N 2 1 368.522 0.138 20 0 FCADMP NC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001076574582 1194571888 /nfs/dbraw/zinc/57/18/88/1194571888.db2.gz KHWBUUNOUALJQQ-ZWKOTPCHSA-N 2 1 356.470 0.914 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)C1 ZINC001076567639 1194572698 /nfs/dbraw/zinc/57/26/98/1194572698.db2.gz CRIUKIGHRBEHAR-SQWLQELKSA-N 2 1 370.457 0.007 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795603 1224226962 /nfs/dbraw/zinc/22/69/62/1224226962.db2.gz MRSPFOWVKXKFOB-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795603 1224226967 /nfs/dbraw/zinc/22/69/67/1224226967.db2.gz MRSPFOWVKXKFOB-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)CC1 ZINC001218880775 1224245834 /nfs/dbraw/zinc/24/58/34/1224245834.db2.gz JZVWBQSIDFLKSY-ZWKOTPCHSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)CC1 ZINC001218880775 1224245841 /nfs/dbraw/zinc/24/58/41/1224245841.db2.gz JZVWBQSIDFLKSY-ZWKOTPCHSA-N 2 1 369.506 0.027 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)COC(C)(C)C)C2 ZINC001276798472 1224251267 /nfs/dbraw/zinc/25/12/67/1224251267.db2.gz DKCHPUHECYLLIL-LPHOPBHVSA-N 2 1 371.522 0.275 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919643 1224259093 /nfs/dbraw/zinc/25/90/93/1224259093.db2.gz WUMFWEGHRRYASW-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919643 1224259099 /nfs/dbraw/zinc/25/90/99/1224259099.db2.gz WUMFWEGHRRYASW-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919643 1224259107 /nfs/dbraw/zinc/25/91/07/1224259107.db2.gz WUMFWEGHRRYASW-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007336 1195141439 /nfs/dbraw/zinc/14/14/39/1195141439.db2.gz JAMAKMWNEXIAPZ-GUDVDZBRSA-N 2 1 359.470 0.698 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007336 1195141442 /nfs/dbraw/zinc/14/14/42/1195141442.db2.gz JAMAKMWNEXIAPZ-GUDVDZBRSA-N 2 1 359.470 0.698 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001077028574 1195158432 /nfs/dbraw/zinc/15/84/32/1195158432.db2.gz GEWWSHMRQVDSEH-WJFTUGDTSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077028574 1195158435 /nfs/dbraw/zinc/15/84/35/1195158435.db2.gz GEWWSHMRQVDSEH-WJFTUGDTSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077028574 1195158439 /nfs/dbraw/zinc/15/84/39/1195158439.db2.gz GEWWSHMRQVDSEH-WJFTUGDTSA-N 2 1 361.486 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077028574 1195158444 /nfs/dbraw/zinc/15/84/44/1195158444.db2.gz GEWWSHMRQVDSEH-WJFTUGDTSA-N 2 1 361.486 0.957 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)cn1 ZINC001083563313 1195220253 /nfs/dbraw/zinc/22/02/53/1195220253.db2.gz JCUOFWDTGSCPHR-XHSDSOJGSA-N 2 1 364.490 0.903 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)cn1 ZINC001083563313 1195220260 /nfs/dbraw/zinc/22/02/60/1195220260.db2.gz JCUOFWDTGSCPHR-XHSDSOJGSA-N 2 1 364.490 0.903 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127893 1195242475 /nfs/dbraw/zinc/24/24/75/1195242475.db2.gz OCEKKDKUEOCVFM-CGTJXYLNSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127893 1195242479 /nfs/dbraw/zinc/24/24/79/1195242479.db2.gz OCEKKDKUEOCVFM-CGTJXYLNSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127893 1195242484 /nfs/dbraw/zinc/24/24/84/1195242484.db2.gz OCEKKDKUEOCVFM-CGTJXYLNSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077131955 1195248121 /nfs/dbraw/zinc/24/81/21/1195248121.db2.gz NHOLQPAVKPQESO-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077131955 1195248124 /nfs/dbraw/zinc/24/81/24/1195248124.db2.gz NHOLQPAVKPQESO-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077131955 1195248130 /nfs/dbraw/zinc/24/81/30/1195248130.db2.gz NHOLQPAVKPQESO-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077131955 1195248136 /nfs/dbraw/zinc/24/81/36/1195248136.db2.gz NHOLQPAVKPQESO-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001077133003 1195248336 /nfs/dbraw/zinc/24/83/36/1195248336.db2.gz FAMNMCIHOOFAJY-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001077133003 1195248340 /nfs/dbraw/zinc/24/83/40/1195248340.db2.gz FAMNMCIHOOFAJY-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001077133003 1195248341 /nfs/dbraw/zinc/24/83/41/1195248341.db2.gz FAMNMCIHOOFAJY-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CC[NH+]1CCCCC1 ZINC001077147726 1195270087 /nfs/dbraw/zinc/27/00/87/1195270087.db2.gz DJOHSWLZGJVQJE-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CC[NH+]1CCCCC1 ZINC001077147726 1195270093 /nfs/dbraw/zinc/27/00/93/1195270093.db2.gz DJOHSWLZGJVQJE-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965234 1224273072 /nfs/dbraw/zinc/27/30/72/1224273072.db2.gz HYRNBSWYJRHCOW-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219783 1195328520 /nfs/dbraw/zinc/32/85/20/1195328520.db2.gz YCDNPEXASWMIMZ-QZTJIDSGSA-N 2 1 365.518 0.840 20 0 FCADMP Cc1cccc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077222262 1195330985 /nfs/dbraw/zinc/33/09/85/1195330985.db2.gz CGHGGHSNQGXDEP-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077222262 1195330989 /nfs/dbraw/zinc/33/09/89/1195330989.db2.gz CGHGGHSNQGXDEP-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077222262 1195330993 /nfs/dbraw/zinc/33/09/93/1195330993.db2.gz CGHGGHSNQGXDEP-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077222262 1195330996 /nfs/dbraw/zinc/33/09/96/1195330996.db2.gz CGHGGHSNQGXDEP-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP CCN(CC)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218964925 1224273563 /nfs/dbraw/zinc/27/35/63/1224273563.db2.gz AGADCLYEEVBWAG-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001077396148 1195495036 /nfs/dbraw/zinc/49/50/36/1195495036.db2.gz QJCAGTVBWIRKQO-GVDBMIGSSA-N 2 1 358.442 0.924 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006221 1224286161 /nfs/dbraw/zinc/28/61/61/1224286161.db2.gz COOZUNSUGDTFKM-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006221 1224286169 /nfs/dbraw/zinc/28/61/69/1224286169.db2.gz COOZUNSUGDTFKM-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006221 1224286178 /nfs/dbraw/zinc/28/61/78/1224286178.db2.gz COOZUNSUGDTFKM-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006221 1224286182 /nfs/dbraw/zinc/28/61/82/1224286182.db2.gz COOZUNSUGDTFKM-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347243 1195581910 /nfs/dbraw/zinc/58/19/10/1195581910.db2.gz XKDTVJMBWKRKTO-IEBWSBKVSA-N 2 1 365.474 0.662 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591174 1195590013 /nfs/dbraw/zinc/59/00/13/1195590013.db2.gz PCDHRUBKSRJJIF-NXHRZFHOSA-N 2 1 358.442 0.987 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906477961 1195633129 /nfs/dbraw/zinc/63/31/29/1195633129.db2.gz GAOCCYIZNPPOBX-QZTJIDSGSA-N 2 1 365.566 0.497 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664559 1195643397 /nfs/dbraw/zinc/64/33/97/1195643397.db2.gz LVVSDTYHYRKXEV-OAHLLOKOSA-N 3 1 359.474 0.369 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664559 1195643403 /nfs/dbraw/zinc/64/34/03/1195643403.db2.gz LVVSDTYHYRKXEV-OAHLLOKOSA-N 3 1 359.474 0.369 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000907005631 1195676386 /nfs/dbraw/zinc/67/63/86/1195676386.db2.gz XEWZMUSEWVPRPA-LJQANCHMSA-N 2 1 360.502 0.015 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)C1 ZINC000907083703 1195679945 /nfs/dbraw/zinc/67/99/45/1195679945.db2.gz ICRKMGHTGIEPOX-KRWDZBQOSA-N 2 1 360.506 0.654 20 0 FCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607449 1195685773 /nfs/dbraw/zinc/68/57/73/1195685773.db2.gz YUYPILWKEOADCP-BBWFWOEESA-N 2 1 358.442 0.924 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909314309 1195792307 /nfs/dbraw/zinc/79/23/07/1195792307.db2.gz ZULGVOIUDVNCJU-UHFFFAOYSA-N 2 1 360.502 0.879 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909314309 1195792312 /nfs/dbraw/zinc/79/23/12/1195792312.db2.gz ZULGVOIUDVNCJU-UHFFFAOYSA-N 2 1 360.502 0.879 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1(C)C ZINC000910563301 1195820678 /nfs/dbraw/zinc/82/06/78/1195820678.db2.gz NJVGWAMUXPAGMF-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@H](C)[N@H+]1C ZINC000910843510 1195849196 /nfs/dbraw/zinc/84/91/96/1195849196.db2.gz MPTBQMBBWXEEST-GASCZTMLSA-N 2 1 359.474 0.718 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@H](C)[N@@H+]1C ZINC000910843510 1195849197 /nfs/dbraw/zinc/84/91/97/1195849197.db2.gz MPTBQMBBWXEEST-GASCZTMLSA-N 2 1 359.474 0.718 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000910876196 1195855357 /nfs/dbraw/zinc/85/53/57/1195855357.db2.gz UTZXOEGHHIKVIP-UHFFFAOYSA-N 2 1 365.522 1.000 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000911111562 1195895449 /nfs/dbraw/zinc/89/54/49/1195895449.db2.gz MBAWUZRLAVYXPL-CVEARBPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000911111562 1195895450 /nfs/dbraw/zinc/89/54/50/1195895450.db2.gz MBAWUZRLAVYXPL-CVEARBPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911175685 1195911727 /nfs/dbraw/zinc/91/17/27/1195911727.db2.gz FVOOVEXDXZJJRO-ATLSCFEFSA-N 2 1 374.485 0.198 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911175685 1195911732 /nfs/dbraw/zinc/91/17/32/1195911732.db2.gz FVOOVEXDXZJJRO-ATLSCFEFSA-N 2 1 374.485 0.198 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042517 1224311131 /nfs/dbraw/zinc/31/11/31/1224311131.db2.gz HZCLMRJXDSHEMY-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042517 1224311138 /nfs/dbraw/zinc/31/11/38/1224311138.db2.gz HZCLMRJXDSHEMY-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000911243349 1195922025 /nfs/dbraw/zinc/92/20/25/1195922025.db2.gz OKSGBNLQEPARBX-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644633 1195933415 /nfs/dbraw/zinc/93/34/15/1195933415.db2.gz OUFXRAHAVBKFFX-OLMNPRSZSA-N 2 1 358.442 0.926 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219054468 1224324245 /nfs/dbraw/zinc/32/42/45/1224324245.db2.gz DBDFXMFFXXAZAX-IPMKNSEASA-N 2 1 361.486 0.972 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219054468 1224324252 /nfs/dbraw/zinc/32/42/52/1224324252.db2.gz DBDFXMFFXXAZAX-IPMKNSEASA-N 2 1 361.486 0.972 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219054468 1224324261 /nfs/dbraw/zinc/32/42/61/1224324261.db2.gz DBDFXMFFXXAZAX-IPMKNSEASA-N 2 1 361.486 0.972 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219054468 1224324272 /nfs/dbraw/zinc/32/42/72/1224324272.db2.gz DBDFXMFFXXAZAX-IPMKNSEASA-N 2 1 361.486 0.972 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360125 1196320774 /nfs/dbraw/zinc/32/07/74/1196320774.db2.gz MCTZSMGUIQKAET-YWTNHNAXSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360125 1196320776 /nfs/dbraw/zinc/32/07/76/1196320776.db2.gz MCTZSMGUIQKAET-YWTNHNAXSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)O1 ZINC000991360125 1196320778 /nfs/dbraw/zinc/32/07/78/1196320778.db2.gz MCTZSMGUIQKAET-YWTNHNAXSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCn2cccn2)CC3)O1 ZINC000991360125 1196320780 /nfs/dbraw/zinc/32/07/80/1196320780.db2.gz MCTZSMGUIQKAET-YWTNHNAXSA-N 2 1 361.490 0.715 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083668981 1196392316 /nfs/dbraw/zinc/39/23/16/1196392316.db2.gz OMNATYOCVYAFOL-QYZOEREBSA-N 2 1 365.518 0.839 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077444110 1196406253 /nfs/dbraw/zinc/40/62/53/1196406253.db2.gz KUQNFDIRYCIXFL-ATZDWAIDSA-N 2 1 361.486 0.602 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCO[C@@H](C)C2)CC1=O ZINC000591644088 1196522706 /nfs/dbraw/zinc/52/27/06/1196522706.db2.gz PRIGNXXPNVZKBR-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000592964533 1196597016 /nfs/dbraw/zinc/59/70/16/1196597016.db2.gz RHFIGBPGPAWEJA-DLBZAZTESA-N 2 1 360.458 0.657 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796616 1196739392 /nfs/dbraw/zinc/73/93/92/1196739392.db2.gz DNJJAUOPXMSDSF-SJORKVTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641796616 1196739399 /nfs/dbraw/zinc/73/93/99/1196739399.db2.gz DNJJAUOPXMSDSF-SJORKVTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641796616 1196739405 /nfs/dbraw/zinc/73/94/05/1196739405.db2.gz DNJJAUOPXMSDSF-SJORKVTESA-N 2 1 365.522 0.319 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088860393 1196805747 /nfs/dbraw/zinc/80/57/47/1196805747.db2.gz JGAOXDGLPMXZCZ-ZACQAIPSSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C[C@@H](O)Cn1cccn1 ZINC001088860393 1196805750 /nfs/dbraw/zinc/80/57/50/1196805750.db2.gz JGAOXDGLPMXZCZ-ZACQAIPSSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C[C@@H](O)Cn1cccn1 ZINC001088860393 1196805752 /nfs/dbraw/zinc/80/57/52/1196805752.db2.gz JGAOXDGLPMXZCZ-ZACQAIPSSA-N 2 1 363.506 0.555 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000172303902 1196842408 /nfs/dbraw/zinc/84/24/08/1196842408.db2.gz PTLSMQGNGOYNBT-UHFFFAOYSA-N 2 1 373.501 0.979 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001088981161 1196856417 /nfs/dbraw/zinc/85/64/17/1196856417.db2.gz FPXAIJLLJYEWPH-WBVHZDCISA-N 2 1 361.490 0.800 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001088981161 1196856419 /nfs/dbraw/zinc/85/64/19/1196856419.db2.gz FPXAIJLLJYEWPH-WBVHZDCISA-N 2 1 361.490 0.800 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038817 1196872765 /nfs/dbraw/zinc/87/27/65/1196872765.db2.gz MEQDPAMURYKDDC-ILXRZTDVSA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038817 1196872766 /nfs/dbraw/zinc/87/27/66/1196872766.db2.gz MEQDPAMURYKDDC-ILXRZTDVSA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038817 1196872767 /nfs/dbraw/zinc/87/27/67/1196872767.db2.gz MEQDPAMURYKDDC-ILXRZTDVSA-N 2 1 363.510 0.501 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053507 1196876550 /nfs/dbraw/zinc/87/65/50/1196876550.db2.gz YXYFYUIBGBRRKL-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053507 1196876552 /nfs/dbraw/zinc/87/65/52/1196876552.db2.gz YXYFYUIBGBRRKL-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053507 1196876554 /nfs/dbraw/zinc/87/65/54/1196876554.db2.gz YXYFYUIBGBRRKL-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053507 1196876556 /nfs/dbraw/zinc/87/65/56/1196876556.db2.gz YXYFYUIBGBRRKL-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC[N@H+]1C ZINC000992091805 1196945701 /nfs/dbraw/zinc/94/57/01/1196945701.db2.gz RWRZPRSPCAOSSJ-RDTXWAMCSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000174712676 1197069898 /nfs/dbraw/zinc/06/98/98/1197069898.db2.gz SNFWHICZUCBULO-UHFFFAOYSA-N 2 1 368.522 0.358 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000174712676 1197069900 /nfs/dbraw/zinc/06/99/00/1197069900.db2.gz SNFWHICZUCBULO-UHFFFAOYSA-N 2 1 368.522 0.358 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)CC[N@H+]1C ZINC000992399329 1197087582 /nfs/dbraw/zinc/08/75/82/1197087582.db2.gz IAEIUAYXHMGMDF-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000992399329 1197087587 /nfs/dbraw/zinc/08/75/87/1197087587.db2.gz IAEIUAYXHMGMDF-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000992399329 1197087592 /nfs/dbraw/zinc/08/75/92/1197087592.db2.gz IAEIUAYXHMGMDF-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148392 1197309402 /nfs/dbraw/zinc/30/94/02/1197309402.db2.gz NAGJOCDQVZGUBL-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1 ZINC000992839238 1197544595 /nfs/dbraw/zinc/54/45/95/1197544595.db2.gz IQWZZNAZBURILH-YZVOILCLSA-N 2 1 359.474 0.743 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)C1 ZINC000992934272 1197613555 /nfs/dbraw/zinc/61/35/55/1197613555.db2.gz FLUSIWOZQANGSE-TXPKVOOTSA-N 2 1 360.502 0.341 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106247825 1197780547 /nfs/dbraw/zinc/78/05/47/1197780547.db2.gz CRFLLFZKEVOGQI-BRWVUGGUSA-N 2 1 364.534 0.927 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667527 1197802310 /nfs/dbraw/zinc/80/23/10/1197802310.db2.gz HGTLRSLTSZGCAU-RCCFBDPRSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667527 1197802312 /nfs/dbraw/zinc/80/23/12/1197802312.db2.gz HGTLRSLTSZGCAU-RCCFBDPRSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667527 1197802318 /nfs/dbraw/zinc/80/23/18/1197802318.db2.gz HGTLRSLTSZGCAU-RCCFBDPRSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)CC1 ZINC001085319776 1197816075 /nfs/dbraw/zinc/81/60/75/1197816075.db2.gz OHVFKNYPZPCHTH-HZPDHXFCSA-N 2 1 361.494 0.867 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085332270 1197825202 /nfs/dbraw/zinc/82/52/02/1197825202.db2.gz QRGQHXWEKSHUFV-RRFJBIMHSA-N 2 1 365.478 0.040 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085332558 1197825979 /nfs/dbraw/zinc/82/59/79/1197825979.db2.gz CNSHQIJSOVMVRD-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310087 1197861427 /nfs/dbraw/zinc/86/14/27/1197861427.db2.gz JYKAWGLGXNJMQT-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310087 1197861430 /nfs/dbraw/zinc/86/14/30/1197861430.db2.gz JYKAWGLGXNJMQT-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001085394133 1197862320 /nfs/dbraw/zinc/86/23/20/1197862320.db2.gz WLDORJYKDPKVGW-RRFJBIMHSA-N 2 1 364.494 0.994 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001085394133 1197862325 /nfs/dbraw/zinc/86/23/25/1197862325.db2.gz WLDORJYKDPKVGW-RRFJBIMHSA-N 2 1 364.494 0.994 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001085395003 1197863272 /nfs/dbraw/zinc/86/32/72/1197863272.db2.gz PEZOHXFPDKHBGW-ZIAGYGMSSA-N 2 1 363.462 0.829 20 0 FCADMP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453833 1197935483 /nfs/dbraw/zinc/93/54/83/1197935483.db2.gz ZSHIGTSZIUPSRO-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001066277282 1197941850 /nfs/dbraw/zinc/94/18/50/1197941850.db2.gz CWXQDXRVCWXSPB-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066277282 1197941857 /nfs/dbraw/zinc/94/18/57/1197941857.db2.gz CWXQDXRVCWXSPB-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066277282 1197941859 /nfs/dbraw/zinc/94/18/59/1197941859.db2.gz CWXQDXRVCWXSPB-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066277282 1197941878 /nfs/dbraw/zinc/94/18/78/1197941878.db2.gz CWXQDXRVCWXSPB-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066277282 1197941887 /nfs/dbraw/zinc/94/18/87/1197941887.db2.gz CWXQDXRVCWXSPB-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001273354247 1197976021 /nfs/dbraw/zinc/97/60/21/1197976021.db2.gz OCDNQBPYRHHABJ-IRXDYDNUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001273354247 1197976024 /nfs/dbraw/zinc/97/60/24/1197976024.db2.gz OCDNQBPYRHHABJ-IRXDYDNUSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120625 1198183253 /nfs/dbraw/zinc/18/32/53/1198183253.db2.gz GVLVKUJMRMLTJJ-JJAZEVLHSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120625 1198183262 /nfs/dbraw/zinc/18/32/62/1198183262.db2.gz GVLVKUJMRMLTJJ-JJAZEVLHSA-N 2 1 364.494 0.310 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129326836 1198209391 /nfs/dbraw/zinc/20/93/91/1198209391.db2.gz MVWZBXXRYXGACZ-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129326836 1198209402 /nfs/dbraw/zinc/20/94/02/1198209402.db2.gz MVWZBXXRYXGACZ-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)CC1 ZINC001273405958 1198231250 /nfs/dbraw/zinc/23/12/50/1198231250.db2.gz XOBDPIKAALLIAE-IRXDYDNUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12)[NH+](C)C ZINC001273408772 1198241309 /nfs/dbraw/zinc/24/13/09/1198241309.db2.gz JXXRFULJCSGQFK-USXIJHARSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001086370021 1198330505 /nfs/dbraw/zinc/33/05/05/1198330505.db2.gz MEYRNKPQFUYSAR-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086370877 1198331711 /nfs/dbraw/zinc/33/17/11/1198331711.db2.gz CXVKWDRHXRFECQ-KBUPBQIOSA-N 2 1 365.478 0.583 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086370877 1198331720 /nfs/dbraw/zinc/33/17/20/1198331720.db2.gz CXVKWDRHXRFECQ-KBUPBQIOSA-N 2 1 365.478 0.583 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538277 1224502692 /nfs/dbraw/zinc/50/26/92/1224502692.db2.gz WXVMQYQWTLSOSX-XOKHGSTOSA-N 3 1 372.469 0.526 20 0 FCADMP CN1C[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538277 1224502697 /nfs/dbraw/zinc/50/26/97/1224502697.db2.gz WXVMQYQWTLSOSX-XOKHGSTOSA-N 2 1 372.469 0.526 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006329180 1198997948 /nfs/dbraw/zinc/99/79/48/1198997948.db2.gz BJVVNWUHVGNBSQ-IJEWVQPXSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c[nH+]cc1CC[NH3+] ZINC001169161834 1199049568 /nfs/dbraw/zinc/04/95/68/1199049568.db2.gz HARYUJJVCRFGLN-CYBMUJFWSA-N 2 1 373.461 0.563 20 0 FCADMP CC[NH+]1CCC(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001169254105 1199058260 /nfs/dbraw/zinc/05/82/60/1199058260.db2.gz QJQVQDASOGSDIS-UHFFFAOYSA-N 2 1 366.550 0.973 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370737 1199132700 /nfs/dbraw/zinc/13/27/00/1199132700.db2.gz ZPJKXVHFAPDCTI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370737 1199132705 /nfs/dbraw/zinc/13/27/05/1199132705.db2.gz ZPJKXVHFAPDCTI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370737 1199132709 /nfs/dbraw/zinc/13/27/09/1199132709.db2.gz ZPJKXVHFAPDCTI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739506 1224585950 /nfs/dbraw/zinc/58/59/50/1224585950.db2.gz QHIVODHBIXWZEF-ZWKOTPCHSA-N 3 1 370.497 0.203 20 0 FCADMP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739506 1224585957 /nfs/dbraw/zinc/58/59/57/1224585957.db2.gz QHIVODHBIXWZEF-ZWKOTPCHSA-N 3 1 370.497 0.203 20 0 FCADMP CC1CC(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129386054 1200109225 /nfs/dbraw/zinc/10/92/25/1200109225.db2.gz WTSMDJXJIOYTQN-BACDZXNISA-N 2 1 364.494 0.244 20 0 FCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768217208 1200125677 /nfs/dbraw/zinc/12/56/77/1200125677.db2.gz LBISWYHFTRUNPA-SZMVWBNQSA-N 2 1 365.474 0.925 20 0 FCADMP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765231 1224600886 /nfs/dbraw/zinc/60/08/86/1224600886.db2.gz XLBGFTSDUWDOOS-AQNXPRMDSA-N 2 1 371.529 0.260 20 0 FCADMP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765231 1224600889 /nfs/dbraw/zinc/60/08/89/1224600889.db2.gz XLBGFTSDUWDOOS-AQNXPRMDSA-N 2 1 371.529 0.260 20 0 FCADMP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772159 1224606232 /nfs/dbraw/zinc/60/62/32/1224606232.db2.gz XPYGDZAHPZHNHU-PXNSSMCTSA-N 3 1 360.477 0.916 20 0 FCADMP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772159 1224606240 /nfs/dbraw/zinc/60/62/40/1224606240.db2.gz XPYGDZAHPZHNHU-PXNSSMCTSA-N 3 1 360.477 0.916 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1=O ZINC001109648869 1200441664 /nfs/dbraw/zinc/44/16/64/1200441664.db2.gz GWIAJOFUMSNQCA-IKGGRYGDSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1=O ZINC001109846517 1200557894 /nfs/dbraw/zinc/55/78/94/1200557894.db2.gz NKGWWFSMEFANPJ-SQNIBIBYSA-N 2 1 374.485 0.329 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1=O ZINC001109846517 1200557903 /nfs/dbraw/zinc/55/79/03/1200557903.db2.gz NKGWWFSMEFANPJ-SQNIBIBYSA-N 2 1 374.485 0.329 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109847704 1200560211 /nfs/dbraw/zinc/56/02/11/1200560211.db2.gz CTNOPZVTVSGBQY-NCOADZHNSA-N 2 1 374.489 0.209 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001109847704 1200560216 /nfs/dbraw/zinc/56/02/16/1200560216.db2.gz CTNOPZVTVSGBQY-NCOADZHNSA-N 2 1 374.489 0.209 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847764 1200560338 /nfs/dbraw/zinc/56/03/38/1200560338.db2.gz GHXZKVRSWWPOJX-LTIDMASMSA-N 2 1 366.506 0.474 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979705 1200663653 /nfs/dbraw/zinc/66/36/53/1200663653.db2.gz AFJJBXGNAQYKHO-YVSFHVDLSA-N 2 1 368.522 0.543 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979705 1200663670 /nfs/dbraw/zinc/66/36/70/1200663670.db2.gz AFJJBXGNAQYKHO-YVSFHVDLSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980764 1200666921 /nfs/dbraw/zinc/66/69/21/1200666921.db2.gz ZJYAXUDDBZPBAZ-NCOADZHNSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980764 1200666932 /nfs/dbraw/zinc/66/69/32/1200666932.db2.gz ZJYAXUDDBZPBAZ-NCOADZHNSA-N 2 1 368.522 0.447 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219805358 1224624924 /nfs/dbraw/zinc/62/49/24/1224624924.db2.gz DOHFMMJYGOJVGI-CEXWTWQISA-N 2 1 361.486 0.957 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219805358 1224624926 /nfs/dbraw/zinc/62/49/26/1224624926.db2.gz DOHFMMJYGOJVGI-CEXWTWQISA-N 2 1 361.486 0.957 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219806166 1224625201 /nfs/dbraw/zinc/62/52/01/1224625201.db2.gz MLOAPRBRCKDRQS-CMPLNLGQSA-N 2 1 373.379 0.283 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001219807534 1224627394 /nfs/dbraw/zinc/62/73/94/1224627394.db2.gz HZAXNRRYCUPZEM-GFCCVEGCSA-N 2 1 374.470 0.548 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219812189 1224630218 /nfs/dbraw/zinc/63/02/18/1224630218.db2.gz QZFUEJWRVFBAJM-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219812189 1224630224 /nfs/dbraw/zinc/63/02/24/1224630224.db2.gz QZFUEJWRVFBAJM-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219812189 1224630229 /nfs/dbraw/zinc/63/02/29/1224630229.db2.gz QZFUEJWRVFBAJM-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219812189 1224630235 /nfs/dbraw/zinc/63/02/35/1224630235.db2.gz QZFUEJWRVFBAJM-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112567704 1200801968 /nfs/dbraw/zinc/80/19/68/1200801968.db2.gz DCXASCXHALLWOE-DEYYWGMASA-N 2 1 367.494 0.130 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112579641 1200819124 /nfs/dbraw/zinc/81/91/24/1200819124.db2.gz ZUMAFTLSHMXOBE-ALKREAHSSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112586269 1200822812 /nfs/dbraw/zinc/82/28/12/1200822812.db2.gz QMRKZMQIFCTJDQ-DEYYWGMASA-N 2 1 367.494 0.128 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787122457 1200864707 /nfs/dbraw/zinc/86/47/07/1200864707.db2.gz IAXPOZOKWGCGGP-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787123097 1200869219 /nfs/dbraw/zinc/86/92/19/1200869219.db2.gz JZUFFDYDUHRIAZ-DOTOQJQBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787510023 1200886973 /nfs/dbraw/zinc/88/69/73/1200886973.db2.gz XFIDICVXJMWCAT-AWEZNQCLSA-N 2 1 362.478 0.689 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000787484552 1200889054 /nfs/dbraw/zinc/88/90/54/1200889054.db2.gz FEDUHALLOOBOTJ-INIZCTEOSA-N 2 1 370.457 0.745 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000788460784 1200962134 /nfs/dbraw/zinc/96/21/34/1200962134.db2.gz PZJJKIHRBQMURI-ZWKOTPCHSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391186 1201073759 /nfs/dbraw/zinc/07/37/59/1201073759.db2.gz ZQKSONCXJIGOJK-DNVCBOLYSA-N 2 1 366.506 0.638 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](O)C1 ZINC001219853151 1224655386 /nfs/dbraw/zinc/65/53/86/1224655386.db2.gz HLLGOMUAYKPBSS-ZACQAIPSSA-N 2 1 368.478 0.295 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001086607392 1201188665 /nfs/dbraw/zinc/18/86/65/1201188665.db2.gz YVSBYNRLXDHFFF-OTWHNJEPSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001086607392 1201188674 /nfs/dbraw/zinc/18/86/74/1201188674.db2.gz YVSBYNRLXDHFFF-OTWHNJEPSA-N 2 1 370.497 0.801 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793715541 1201255257 /nfs/dbraw/zinc/25/52/57/1201255257.db2.gz GQGOVKKJYZKUFD-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793720960 1201256395 /nfs/dbraw/zinc/25/63/95/1201256395.db2.gz RKHJOQSGZCGLKG-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793720960 1201256401 /nfs/dbraw/zinc/25/64/01/1201256401.db2.gz RKHJOQSGZCGLKG-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703315 1201259509 /nfs/dbraw/zinc/25/95/09/1201259509.db2.gz UMTGXFCPONKLFV-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]([NH3+])CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC001219868605 1224661601 /nfs/dbraw/zinc/66/16/01/1224661601.db2.gz HXGDJQGPUGPACO-AWEZNQCLSA-N 2 1 354.410 0.790 20 0 FCADMP CNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086620092 1201282802 /nfs/dbraw/zinc/28/28/02/1201282802.db2.gz YBCPBIUSTREXHE-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086620092 1201282814 /nfs/dbraw/zinc/28/28/14/1201282814.db2.gz YBCPBIUSTREXHE-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086620092 1201282824 /nfs/dbraw/zinc/28/28/24/1201282824.db2.gz YBCPBIUSTREXHE-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086620092 1201282831 /nfs/dbraw/zinc/28/28/31/1201282831.db2.gz YBCPBIUSTREXHE-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086620092 1201282839 /nfs/dbraw/zinc/28/28/39/1201282839.db2.gz YBCPBIUSTREXHE-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1)C12CC[NH+](CC1)C2 ZINC001086620285 1201282857 /nfs/dbraw/zinc/28/28/57/1201282857.db2.gz JHMSRUKMJDNUEL-KSZLIROESA-N 2 1 368.481 0.555 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1)C12CC[NH+](CC1)C2 ZINC001086620285 1201282861 /nfs/dbraw/zinc/28/28/61/1201282861.db2.gz JHMSRUKMJDNUEL-KSZLIROESA-N 2 1 368.481 0.555 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)CC[N@@H+]1C ZINC001114298479 1201292488 /nfs/dbraw/zinc/29/24/88/1201292488.db2.gz LQAHKMPZOGUSSF-YKPDLDGBSA-N 2 1 371.485 0.084 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)CC[N@H+]1C ZINC001114298479 1201292495 /nfs/dbraw/zinc/29/24/95/1201292495.db2.gz LQAHKMPZOGUSSF-YKPDLDGBSA-N 2 1 371.485 0.084 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cccnc4)C[C@H]32)CC[NH+]1C ZINC001114298479 1201292500 /nfs/dbraw/zinc/29/25/00/1201292500.db2.gz LQAHKMPZOGUSSF-YKPDLDGBSA-N 2 1 371.485 0.084 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cccnc4)C[C@H]32)CC[NH+]1C ZINC001114298479 1201292507 /nfs/dbraw/zinc/29/25/07/1201292507.db2.gz LQAHKMPZOGUSSF-YKPDLDGBSA-N 2 1 371.485 0.084 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407921 1201298109 /nfs/dbraw/zinc/29/81/09/1201298109.db2.gz XXBBCAIXWTTXBY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407921 1201298114 /nfs/dbraw/zinc/29/81/14/1201298114.db2.gz XXBBCAIXWTTXBY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407921 1201298120 /nfs/dbraw/zinc/29/81/20/1201298120.db2.gz XXBBCAIXWTTXBY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623659 1201350507 /nfs/dbraw/zinc/35/05/07/1201350507.db2.gz PNLYBWQBOHYQMJ-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623659 1201350510 /nfs/dbraw/zinc/35/05/10/1201350510.db2.gz PNLYBWQBOHYQMJ-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086623659 1201350519 /nfs/dbraw/zinc/35/05/19/1201350519.db2.gz PNLYBWQBOHYQMJ-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086623659 1201350525 /nfs/dbraw/zinc/35/05/25/1201350525.db2.gz PNLYBWQBOHYQMJ-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129684268 1201369958 /nfs/dbraw/zinc/36/99/58/1201369958.db2.gz HBDCWMHNLNALFV-IKGGRYGDSA-N 2 1 362.478 0.283 20 0 FCADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718047 1201376950 /nfs/dbraw/zinc/37/69/50/1201376950.db2.gz VLMFMPOQJZZUJO-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718047 1201376954 /nfs/dbraw/zinc/37/69/54/1201376954.db2.gz VLMFMPOQJZZUJO-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912676 1201424981 /nfs/dbraw/zinc/42/49/81/1201424981.db2.gz VDUDIVCXYSJUGN-WCXIOVBPSA-N 2 1 362.478 0.305 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912676 1201424984 /nfs/dbraw/zinc/42/49/84/1201424984.db2.gz VDUDIVCXYSJUGN-WCXIOVBPSA-N 2 1 362.478 0.305 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129918501 1201439805 /nfs/dbraw/zinc/43/98/05/1201439805.db2.gz ARLKALMZSRWLRQ-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001129918812 1201440668 /nfs/dbraw/zinc/44/06/68/1201440668.db2.gz KAWXMAOIFZIPKF-OAGGEKHMSA-N 2 1 366.510 0.775 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014631 1201471910 /nfs/dbraw/zinc/47/19/10/1201471910.db2.gz WMPAECZUDRYYNJ-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130034098 1201482223 /nfs/dbraw/zinc/48/22/23/1201482223.db2.gz KCMWXFSHWWHQIV-IMJJTQAJSA-N 2 1 361.450 0.258 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122950 1201511493 /nfs/dbraw/zinc/51/14/93/1201511493.db2.gz CXEMWRYCIXVTSV-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123108 1201511538 /nfs/dbraw/zinc/51/15/38/1201511538.db2.gz GRITWADQPHMYGW-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP CCc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130180203 1201525482 /nfs/dbraw/zinc/52/54/82/1201525482.db2.gz HIOCIVCHOFAIBA-RHSMWYFYSA-N 2 1 362.474 0.612 20 0 FCADMP CCc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130180203 1201525486 /nfs/dbraw/zinc/52/54/86/1201525486.db2.gz HIOCIVCHOFAIBA-RHSMWYFYSA-N 2 1 362.474 0.612 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)O1 ZINC001130182605 1201534303 /nfs/dbraw/zinc/53/43/03/1201534303.db2.gz OWEQROMYJGMERQ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)O1 ZINC001130182605 1201534307 /nfs/dbraw/zinc/53/43/07/1201534307.db2.gz OWEQROMYJGMERQ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCC1CCCCC1 ZINC001130184587 1201537668 /nfs/dbraw/zinc/53/76/68/1201537668.db2.gz VRZLTQRLDQCSKF-BFYDXBDKSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCC1CCCCC1 ZINC001130184587 1201537670 /nfs/dbraw/zinc/53/76/70/1201537670.db2.gz VRZLTQRLDQCSKF-BFYDXBDKSA-N 2 1 368.522 0.496 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001130232679 1201557872 /nfs/dbraw/zinc/55/78/72/1201557872.db2.gz NJPIEYUCNWXWSL-KBPBESRZSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001130232679 1201557875 /nfs/dbraw/zinc/55/78/75/1201557875.db2.gz NJPIEYUCNWXWSL-KBPBESRZSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130232740 1201558364 /nfs/dbraw/zinc/55/83/64/1201558364.db2.gz QELZPHJXWDVZQT-OFQRWUPVSA-N 2 1 366.510 0.878 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1 ZINC001220023464 1224730716 /nfs/dbraw/zinc/73/07/16/1224730716.db2.gz ZMTIXGYQFRWMFU-QGZVFWFLSA-N 2 1 360.502 0.815 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130790091 1202798816 /nfs/dbraw/zinc/79/88/16/1202798816.db2.gz HEBOPPNSBVGCHD-QWHCGFSZSA-N 2 1 370.473 0.930 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817360 1202808098 /nfs/dbraw/zinc/80/80/98/1202808098.db2.gz MVQFHYXZOLMOBU-QLFBSQMISA-N 2 1 364.494 0.982 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817360 1202808102 /nfs/dbraw/zinc/80/81/02/1202808102.db2.gz MVQFHYXZOLMOBU-QLFBSQMISA-N 2 1 364.494 0.982 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817360 1202808104 /nfs/dbraw/zinc/80/81/04/1202808104.db2.gz MVQFHYXZOLMOBU-QLFBSQMISA-N 2 1 364.494 0.982 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078049 1224747197 /nfs/dbraw/zinc/74/71/97/1224747197.db2.gz HPRVLNZQDCQVFD-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078049 1224747204 /nfs/dbraw/zinc/74/72/04/1224747204.db2.gz HPRVLNZQDCQVFD-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)no1 ZINC001131061414 1202853856 /nfs/dbraw/zinc/85/38/56/1202853856.db2.gz CEUDALLYFOLSBG-HZPDHXFCSA-N 2 1 360.462 0.752 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131130536 1202868951 /nfs/dbraw/zinc/86/89/51/1202868951.db2.gz RKVTVIFWAYMYTM-BRWVUGGUSA-N 2 1 365.522 0.805 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131132987 1202870029 /nfs/dbraw/zinc/87/00/29/1202870029.db2.gz WKGGLMGCKLFXIN-ZACQAIPSSA-N 2 1 363.506 0.825 20 0 FCADMP CCOC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000808161362 1202875059 /nfs/dbraw/zinc/87/50/59/1202875059.db2.gz WOUWRZQXJXRFCM-SFHVURJKSA-N 2 1 368.478 0.871 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665198 1202886545 /nfs/dbraw/zinc/88/65/45/1202886545.db2.gz WFHRLKKLJJMSJB-UXLLHSPISA-N 2 1 362.474 0.795 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665198 1202886547 /nfs/dbraw/zinc/88/65/47/1202886547.db2.gz WFHRLKKLJJMSJB-UXLLHSPISA-N 2 1 362.474 0.795 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086666051 1202889002 /nfs/dbraw/zinc/88/90/02/1202889002.db2.gz XKRJFCQWJNYEKD-RCCFBDPRSA-N 2 1 363.506 0.705 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086666051 1202889004 /nfs/dbraw/zinc/88/90/04/1202889004.db2.gz XKRJFCQWJNYEKD-RCCFBDPRSA-N 2 1 363.506 0.705 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000808774911 1202898074 /nfs/dbraw/zinc/89/80/74/1202898074.db2.gz FUXVMKUBNZCHFC-MRXNPFEDSA-N 2 1 373.501 0.964 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564338 1202914811 /nfs/dbraw/zinc/91/48/11/1202914811.db2.gz IINFGRCXIBBWFQ-QAPCUYQASA-N 2 1 364.494 0.253 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609047 1202920564 /nfs/dbraw/zinc/92/05/64/1202920564.db2.gz XSHZSECPUGSBGM-LMMKCTJWSA-N 2 1 371.522 0.320 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001086699878 1202974688 /nfs/dbraw/zinc/97/46/88/1202974688.db2.gz KYUHBYYGJKYXAG-QKPAOTATSA-N 2 1 366.485 0.962 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126472 1203015513 /nfs/dbraw/zinc/01/55/13/1203015513.db2.gz SZXHEUMVHXJGAX-MSOLQXFVSA-N 2 1 360.502 0.810 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086731504 1203052524 /nfs/dbraw/zinc/05/25/24/1203052524.db2.gz OAXOPZGSFOFHAO-JYYAWHABSA-N 2 1 364.494 0.392 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086731504 1203052526 /nfs/dbraw/zinc/05/25/26/1203052526.db2.gz OAXOPZGSFOFHAO-JYYAWHABSA-N 2 1 364.494 0.392 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)no1 ZINC001086739287 1203065280 /nfs/dbraw/zinc/06/52/80/1203065280.db2.gz RUZMEQIZFUXDHV-UONOGXRCSA-N 2 1 363.462 0.457 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086761439 1203083288 /nfs/dbraw/zinc/08/32/88/1203083288.db2.gz GNVJAAIUXPNIHA-UAGHIWMGSA-N 2 1 360.458 0.912 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001086784943 1203092475 /nfs/dbraw/zinc/09/24/75/1203092475.db2.gz BWDORZWNBRHFHI-JQHSSLGASA-N 2 1 363.506 0.904 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC001170869542 1203106029 /nfs/dbraw/zinc/10/60/29/1203106029.db2.gz HWKOKZWECIGFGV-HUUCEWRRSA-N 2 1 361.446 0.032 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000825386709 1203314457 /nfs/dbraw/zinc/31/44/57/1203314457.db2.gz IIHJZTFVFUGVLT-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000825386709 1203314460 /nfs/dbraw/zinc/31/44/60/1203314460.db2.gz IIHJZTFVFUGVLT-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000825386709 1203314463 /nfs/dbraw/zinc/31/44/63/1203314463.db2.gz IIHJZTFVFUGVLT-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP O=C([C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001143671073 1203323834 /nfs/dbraw/zinc/32/38/34/1203323834.db2.gz QCSIASKCUHOFOQ-UFYCRDLUSA-N 2 1 373.497 0.945 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090872951 1203326033 /nfs/dbraw/zinc/32/60/33/1203326033.db2.gz WIOVHPJCPUGPSG-NKGKWGDASA-N 2 1 374.485 0.405 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2[NH2+]CCO)cc1 ZINC001090875843 1203327519 /nfs/dbraw/zinc/32/75/19/1203327519.db2.gz JRPHGEFSXSFIIJ-ZWKOTPCHSA-N 2 1 358.442 0.777 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090884268 1203331102 /nfs/dbraw/zinc/33/11/02/1203331102.db2.gz HNDTWEPOARILCW-AYOQOUSVSA-N 2 1 361.486 0.913 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844175717 1203337871 /nfs/dbraw/zinc/33/78/71/1203337871.db2.gz OFSHTGHADRHFKK-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220227032 1224809562 /nfs/dbraw/zinc/80/95/62/1224809562.db2.gz FXMYUAQSFLQCQJ-IKGGRYGDSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220227032 1224809564 /nfs/dbraw/zinc/80/95/64/1224809564.db2.gz FXMYUAQSFLQCQJ-IKGGRYGDSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220275058 1224818504 /nfs/dbraw/zinc/81/85/04/1224818504.db2.gz NMTCUVSVLHAVRL-MSOLQXFVSA-N 2 1 357.458 0.485 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315647 1224827202 /nfs/dbraw/zinc/82/72/02/1224827202.db2.gz GJFNLUCFKHMBEU-SFHLNBCPSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315647 1224827206 /nfs/dbraw/zinc/82/72/06/1224827206.db2.gz GJFNLUCFKHMBEU-SFHLNBCPSA-N 2 1 372.513 0.878 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091097023 1204514526 /nfs/dbraw/zinc/51/45/26/1204514526.db2.gz GVLVKUJMRMLTJJ-IGHZYHEGSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091097023 1204514531 /nfs/dbraw/zinc/51/45/31/1204514531.db2.gz GVLVKUJMRMLTJJ-IGHZYHEGSA-N 2 1 364.494 0.310 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342583 1224834257 /nfs/dbraw/zinc/83/42/57/1224834257.db2.gz HDWXYSZHKCGGPS-IKGGRYGDSA-N 2 1 364.490 0.167 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O)[NH+](CC)CC ZINC001220344752 1224836601 /nfs/dbraw/zinc/83/66/01/1224836601.db2.gz HYSXRAKMLGWFEF-OAGGEKHMSA-N 2 1 367.494 0.592 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@@H]1O)[NH+](CC)CC ZINC001220344752 1224836603 /nfs/dbraw/zinc/83/66/03/1224836603.db2.gz HYSXRAKMLGWFEF-OAGGEKHMSA-N 2 1 367.494 0.592 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357458 1224842203 /nfs/dbraw/zinc/84/22/03/1224842203.db2.gz JWYLUNYRHVYLQQ-MOPGFXCFSA-N 2 1 363.502 0.992 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358663 1224842554 /nfs/dbraw/zinc/84/25/54/1224842554.db2.gz WBRSVJMGMSSQKY-LTIDMASMSA-N 2 1 360.458 0.251 20 0 FCADMP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674117 /nfs/dbraw/zinc/67/41/17/1204674117.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 1 366.458 0.520 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674123 /nfs/dbraw/zinc/67/41/23/1204674123.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 1 366.458 0.520 20 0 FCADMP COC(=O)c1n[nH]cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220373442 1224847657 /nfs/dbraw/zinc/84/76/57/1224847657.db2.gz NOKLEQNUGJWBNB-CQSZACIVSA-N 2 1 369.425 0.856 20 0 FCADMP COC(=O)c1n[nH]cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220373442 1224847662 /nfs/dbraw/zinc/84/76/62/1224847662.db2.gz NOKLEQNUGJWBNB-CQSZACIVSA-N 2 1 369.425 0.856 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC2CC2)C3)CC[N@@H+]1C ZINC001147582854 1204799216 /nfs/dbraw/zinc/79/92/16/1204799216.db2.gz FSDPSGRPYYDHTL-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC2CC2)C3)CC[N@H+]1C ZINC001147582854 1204799226 /nfs/dbraw/zinc/79/92/26/1204799226.db2.gz FSDPSGRPYYDHTL-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC2CC2)C3)CC[NH+]1C ZINC001147582854 1204799232 /nfs/dbraw/zinc/79/92/32/1204799232.db2.gz FSDPSGRPYYDHTL-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC2CC2)C3)CC[NH+]1C ZINC001147582854 1204799240 /nfs/dbraw/zinc/79/92/40/1204799240.db2.gz FSDPSGRPYYDHTL-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582677 1204799294 /nfs/dbraw/zinc/79/92/94/1204799294.db2.gz BSFGVGGNZMHMHF-ZMSDIMECSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582677 1204799303 /nfs/dbraw/zinc/79/93/03/1204799303.db2.gz BSFGVGGNZMHMHF-ZMSDIMECSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582677 1204799311 /nfs/dbraw/zinc/79/93/11/1204799311.db2.gz BSFGVGGNZMHMHF-ZMSDIMECSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582677 1204799320 /nfs/dbraw/zinc/79/93/20/1204799320.db2.gz BSFGVGGNZMHMHF-ZMSDIMECSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091683335 1204821040 /nfs/dbraw/zinc/82/10/40/1204821040.db2.gz LRRDQWJUXUSQHS-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683335 1204821041 /nfs/dbraw/zinc/82/10/41/1204821041.db2.gz LRRDQWJUXUSQHS-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683335 1204821042 /nfs/dbraw/zinc/82/10/42/1204821042.db2.gz LRRDQWJUXUSQHS-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@]3(C)C2)nn1 ZINC001091684742 1204821627 /nfs/dbraw/zinc/82/16/27/1204821627.db2.gz NSCQNLQSGLELMV-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@]3(C)C2)nn1 ZINC001091684742 1204821628 /nfs/dbraw/zinc/82/16/28/1204821628.db2.gz NSCQNLQSGLELMV-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@]3(C)C2)nn1 ZINC001091684742 1204821631 /nfs/dbraw/zinc/82/16/31/1204821631.db2.gz NSCQNLQSGLELMV-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@]3(C)C2)nn1 ZINC001091684742 1204821634 /nfs/dbraw/zinc/82/16/34/1204821634.db2.gz NSCQNLQSGLELMV-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683608 1204821798 /nfs/dbraw/zinc/82/17/98/1204821798.db2.gz ZXVQHOAZGXYXNP-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683608 1204821800 /nfs/dbraw/zinc/82/18/00/1204821800.db2.gz ZXVQHOAZGXYXNP-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683608 1204821802 /nfs/dbraw/zinc/82/18/02/1204821802.db2.gz ZXVQHOAZGXYXNP-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683608 1204821804 /nfs/dbraw/zinc/82/18/04/1204821804.db2.gz ZXVQHOAZGXYXNP-LFEHRJTNSA-N 2 1 360.506 0.919 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091721263 1204832718 /nfs/dbraw/zinc/83/27/18/1204832718.db2.gz YDWGUKIZLYCBLR-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091735526 1204836059 /nfs/dbraw/zinc/83/60/59/1204836059.db2.gz TWMCRSCTIKCLHO-GJYPPUQNSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734915 1204836087 /nfs/dbraw/zinc/83/60/87/1204836087.db2.gz ALAVANGJCKJIGJ-MDZRGWNJSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nncc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754244 1204844144 /nfs/dbraw/zinc/84/41/44/1204844144.db2.gz KUEFFYLALKXWKU-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754244 1204844145 /nfs/dbraw/zinc/84/41/45/1204844145.db2.gz KUEFFYLALKXWKU-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754244 1204844146 /nfs/dbraw/zinc/84/41/46/1204844146.db2.gz KUEFFYLALKXWKU-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754244 1204844149 /nfs/dbraw/zinc/84/41/49/1204844149.db2.gz KUEFFYLALKXWKU-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754244 1204844151 /nfs/dbraw/zinc/84/41/51/1204844151.db2.gz KUEFFYLALKXWKU-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)n1 ZINC001086880790 1204856058 /nfs/dbraw/zinc/85/60/58/1204856058.db2.gz OTSDEUXSUFKKRU-UXLLHSPISA-N 2 1 364.494 0.393 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)n1 ZINC001086880790 1204856059 /nfs/dbraw/zinc/85/60/59/1204856059.db2.gz OTSDEUXSUFKKRU-UXLLHSPISA-N 2 1 364.494 0.393 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)C1 ZINC001086880203 1204856161 /nfs/dbraw/zinc/85/61/61/1204856161.db2.gz NYOBHGUKGOZFHY-LZLYRXPVSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)C1 ZINC001086880203 1204856162 /nfs/dbraw/zinc/85/61/62/1204856162.db2.gz NYOBHGUKGOZFHY-LZLYRXPVSA-N 2 1 361.490 0.880 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001086970992 1204870625 /nfs/dbraw/zinc/87/06/25/1204870625.db2.gz RLROKVZXJFXINX-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001087009442 1204896957 /nfs/dbraw/zinc/89/69/57/1204896957.db2.gz GNOASJVQBJXUJZ-JCGIZDLHSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087009800 1204897415 /nfs/dbraw/zinc/89/74/15/1204897415.db2.gz YXFNWIBMITYJPK-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087035077 1204910686 /nfs/dbraw/zinc/91/06/86/1204910686.db2.gz KQALJFABZNXXSZ-RBSFLKMASA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087035077 1204910687 /nfs/dbraw/zinc/91/06/87/1204910687.db2.gz KQALJFABZNXXSZ-RBSFLKMASA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087035287 1204910930 /nfs/dbraw/zinc/91/09/30/1204910930.db2.gz UPVSTXCYUUVDOU-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087063055 1204949695 /nfs/dbraw/zinc/94/96/95/1204949695.db2.gz HGYXVBDBLWNMFB-BZUAXINKSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087063055 1204949700 /nfs/dbraw/zinc/94/97/00/1204949700.db2.gz HGYXVBDBLWNMFB-BZUAXINKSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087063097 1204950051 /nfs/dbraw/zinc/95/00/51/1204950051.db2.gz IQZHINZNUWJPLQ-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087062438 1204950672 /nfs/dbraw/zinc/95/06/72/1204950672.db2.gz GZHWAAJBMCMTJD-RBSFLKMASA-N 2 1 367.494 0.925 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087062916 1204950837 /nfs/dbraw/zinc/95/08/37/1204950837.db2.gz ASPPBHAKJSCQSX-DJIMGWMZSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083430 1204969975 /nfs/dbraw/zinc/96/99/75/1204969975.db2.gz DZGBCXGUQPAYGE-ZMSDIMECSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083351 1204970481 /nfs/dbraw/zinc/97/04/81/1204970481.db2.gz AOIZNNBOIUDDDD-ZMSDIMECSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083565 1204970499 /nfs/dbraw/zinc/97/04/99/1204970499.db2.gz KVHLMUUWBCNVLF-LZLYRXPVSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087100731 1204998852 /nfs/dbraw/zinc/99/88/52/1204998852.db2.gz BBWBMZBRQLAAMV-JFIYKMOQSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087096304 1205003273 /nfs/dbraw/zinc/00/32/73/1205003273.db2.gz HXUSTHCFQSPUKZ-ZMSDIMECSA-N 2 1 364.494 0.110 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@]3(C)C2)C1=O ZINC001091823430 1205043944 /nfs/dbraw/zinc/04/39/44/1205043944.db2.gz CIHACGUEEOFTDZ-MDYRTPRTSA-N 2 1 367.453 0.959 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@]3(C)C2)C1=O ZINC001091856460 1205051746 /nfs/dbraw/zinc/05/17/46/1205051746.db2.gz ROMLTTSQZYQTTQ-MDYRTPRTSA-N 2 1 367.453 0.959 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879450 1205062473 /nfs/dbraw/zinc/06/24/73/1205062473.db2.gz KXCNJDRFNNBSCH-POAQFYNOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953522 1205090019 /nfs/dbraw/zinc/09/00/19/1205090019.db2.gz MPLHXDWDMWTAJQ-MFCZKXCZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953522 1205090023 /nfs/dbraw/zinc/09/00/23/1205090023.db2.gz MPLHXDWDMWTAJQ-MFCZKXCZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953522 1205090026 /nfs/dbraw/zinc/09/00/26/1205090026.db2.gz MPLHXDWDMWTAJQ-MFCZKXCZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975059 1205105855 /nfs/dbraw/zinc/10/58/55/1205105855.db2.gz FJEIMZOOFABGTA-KKVAFCGZSA-N 2 1 362.518 0.776 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015792 1205114672 /nfs/dbraw/zinc/11/46/72/1205114672.db2.gz WEDGKORQIKXXBA-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015792 1205114676 /nfs/dbraw/zinc/11/46/76/1205114676.db2.gz WEDGKORQIKXXBA-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015792 1205114679 /nfs/dbraw/zinc/11/46/79/1205114679.db2.gz WEDGKORQIKXXBA-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092088320 1205138888 /nfs/dbraw/zinc/13/88/88/1205138888.db2.gz BNQVAXSUMWEFQB-WDYCEAGBSA-N 2 1 363.506 0.874 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204314 1205196967 /nfs/dbraw/zinc/19/69/67/1205196967.db2.gz YKBSOLLQGSJKKA-LPMFXHHGSA-N 2 1 359.474 0.676 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272583 1205219831 /nfs/dbraw/zinc/21/98/31/1205219831.db2.gz GMXUWXPOBOFQNF-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272583 1205219834 /nfs/dbraw/zinc/21/98/34/1205219834.db2.gz GMXUWXPOBOFQNF-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272583 1205219838 /nfs/dbraw/zinc/21/98/38/1205219838.db2.gz GMXUWXPOBOFQNF-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092278818 1205225892 /nfs/dbraw/zinc/22/58/92/1205225892.db2.gz ZKEASQMDKXHCED-OHNRDTAOSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092278818 1205225894 /nfs/dbraw/zinc/22/58/94/1205225894.db2.gz ZKEASQMDKXHCED-OHNRDTAOSA-N 2 1 359.474 0.639 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001092299725 1205233384 /nfs/dbraw/zinc/23/33/84/1205233384.db2.gz FVTYHLXYVKAVDU-HLIPFELVSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286789 1205251814 /nfs/dbraw/zinc/25/18/14/1205251814.db2.gz MEQOWDGNSKOSSD-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286789 1205251819 /nfs/dbraw/zinc/25/18/19/1205251819.db2.gz MEQOWDGNSKOSSD-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286789 1205251824 /nfs/dbraw/zinc/25/18/24/1205251824.db2.gz MEQOWDGNSKOSSD-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286789 1205251830 /nfs/dbraw/zinc/25/18/30/1205251830.db2.gz MEQOWDGNSKOSSD-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092295957 1205258199 /nfs/dbraw/zinc/25/81/99/1205258199.db2.gz DHNOAZAFKQCMEV-XLIONFOSSA-N 2 1 358.486 0.888 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H](C)C2)nn1 ZINC001092611511 1205313371 /nfs/dbraw/zinc/31/33/71/1205313371.db2.gz YWVWXDXHWDCFTH-KYJSFNMBSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H](C)C2)nn1 ZINC001092611511 1205313373 /nfs/dbraw/zinc/31/33/73/1205313373.db2.gz YWVWXDXHWDCFTH-KYJSFNMBSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615803 1205329359 /nfs/dbraw/zinc/32/93/59/1205329359.db2.gz PXUCBWBQOCHQMW-IXDOHACOSA-N 2 1 363.506 0.779 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672042 1205335743 /nfs/dbraw/zinc/33/57/43/1205335743.db2.gz UXHHYCWXLMFELZ-BRWVUGGUSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672042 1205335747 /nfs/dbraw/zinc/33/57/47/1205335747.db2.gz UXHHYCWXLMFELZ-BRWVUGGUSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672042 1205335751 /nfs/dbraw/zinc/33/57/51/1205335751.db2.gz UXHHYCWXLMFELZ-BRWVUGGUSA-N 2 1 364.534 0.927 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092724664 1205347920 /nfs/dbraw/zinc/34/79/20/1205347920.db2.gz RDOZTRNTZMFOOO-IXYNUQLISA-N 2 1 366.462 0.586 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092724664 1205347921 /nfs/dbraw/zinc/34/79/21/1205347921.db2.gz RDOZTRNTZMFOOO-IXYNUQLISA-N 2 1 366.462 0.586 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092724664 1205347922 /nfs/dbraw/zinc/34/79/22/1205347922.db2.gz RDOZTRNTZMFOOO-IXYNUQLISA-N 2 1 366.462 0.586 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092724664 1205347923 /nfs/dbraw/zinc/34/79/23/1205347923.db2.gz RDOZTRNTZMFOOO-IXYNUQLISA-N 2 1 366.462 0.586 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773706 1205354162 /nfs/dbraw/zinc/35/41/62/1205354162.db2.gz QUFGTRBWXTWEAP-OWCLPIDISA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937873 1205963111 /nfs/dbraw/zinc/96/31/11/1205963111.db2.gz YRWJHVABQNCTAL-DJIMGWMZSA-N 2 1 360.506 0.791 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092964942 1205966944 /nfs/dbraw/zinc/96/69/44/1205966944.db2.gz UTJKZZZRWKHGMS-DJIMGWMZSA-N 2 1 371.489 0.730 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092964942 1205966948 /nfs/dbraw/zinc/96/69/48/1205966948.db2.gz UTJKZZZRWKHGMS-DJIMGWMZSA-N 2 1 371.489 0.730 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)cc1 ZINC001220548089 1224921548 /nfs/dbraw/zinc/92/15/48/1224921548.db2.gz WHEGPONNEJACGC-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)cc1 ZINC001220548089 1224921556 /nfs/dbraw/zinc/92/15/56/1224921556.db2.gz WHEGPONNEJACGC-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093132960 1206032416 /nfs/dbraw/zinc/03/24/16/1206032416.db2.gz IJIXFBWJECFMON-ZIAGYGMSSA-N 2 1 363.462 0.496 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093132960 1206032419 /nfs/dbraw/zinc/03/24/19/1206032419.db2.gz IJIXFBWJECFMON-ZIAGYGMSSA-N 2 1 363.462 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133346 1206032518 /nfs/dbraw/zinc/03/25/18/1206032518.db2.gz BZZPPBCSQRXZGD-OAGGEKHMSA-N 2 1 358.490 0.545 20 0 FCADMP C[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194822 1206052170 /nfs/dbraw/zinc/05/21/70/1206052170.db2.gz CFYQLKAGXVLBHM-QLFBSQMISA-N 2 1 362.474 0.883 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194822 1206052173 /nfs/dbraw/zinc/05/21/73/1206052173.db2.gz CFYQLKAGXVLBHM-QLFBSQMISA-N 2 1 362.474 0.883 20 0 FCADMP C[C@@H]1C[NH+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194822 1206052177 /nfs/dbraw/zinc/05/21/77/1206052177.db2.gz CFYQLKAGXVLBHM-QLFBSQMISA-N 2 1 362.474 0.883 20 0 FCADMP C[C@@H]1C[NH+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194822 1206052182 /nfs/dbraw/zinc/05/21/82/1206052182.db2.gz CFYQLKAGXVLBHM-QLFBSQMISA-N 2 1 362.474 0.883 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001220553844 1224926402 /nfs/dbraw/zinc/92/64/02/1224926402.db2.gz SRJIVRNBJMCBSA-QRVBRYPASA-N 2 1 359.470 0.558 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001220553844 1224926409 /nfs/dbraw/zinc/92/64/09/1224926409.db2.gz SRJIVRNBJMCBSA-QRVBRYPASA-N 2 1 359.470 0.558 20 0 FCADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553564 1224926445 /nfs/dbraw/zinc/92/64/45/1224926445.db2.gz LMMNLXVLRWCCCP-QRQLOZEOSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553564 1224926452 /nfs/dbraw/zinc/92/64/52/1224926452.db2.gz LMMNLXVLRWCCCP-QRQLOZEOSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001093281165 1206071510 /nfs/dbraw/zinc/07/15/10/1206071510.db2.gz ONFQQPKEZPVZTN-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093286648 1206072679 /nfs/dbraw/zinc/07/26/79/1206072679.db2.gz CYJBIPXGRHDTAA-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093289487 1206074000 /nfs/dbraw/zinc/07/40/00/1206074000.db2.gz ZVFNYGNUDIHIEK-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)C1=O ZINC001093292526 1206074781 /nfs/dbraw/zinc/07/47/81/1206074781.db2.gz WCCWZZAPFAGCPW-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC001093690412 1206101026 /nfs/dbraw/zinc/10/10/26/1206101026.db2.gz SNQAKSLJHVUNBJ-IIDMSEBBSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC001093690412 1206101029 /nfs/dbraw/zinc/10/10/29/1206101029.db2.gz SNQAKSLJHVUNBJ-IIDMSEBBSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001093690526 1206101350 /nfs/dbraw/zinc/10/13/50/1206101350.db2.gz ZIKKRRUCXOMRGE-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001093690526 1206101353 /nfs/dbraw/zinc/10/13/53/1206101353.db2.gz ZIKKRRUCXOMRGE-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093821340 1206123311 /nfs/dbraw/zinc/12/33/11/1206123311.db2.gz ZYRIGDPEMMFSBD-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)nn1 ZINC001093921189 1206149860 /nfs/dbraw/zinc/14/98/60/1206149860.db2.gz MUGOJKYUTKTIKG-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094041189 1206173967 /nfs/dbraw/zinc/17/39/67/1206173967.db2.gz ZJIRHOJHVYGFSF-OWCLPIDISA-N 2 1 366.485 0.916 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001094088424 1206181806 /nfs/dbraw/zinc/18/18/06/1206181806.db2.gz SOJMUWFPKBNMMW-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094219590 1206203291 /nfs/dbraw/zinc/20/32/91/1206203291.db2.gz NJQAZFWSBOMAOR-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001094219844 1206203478 /nfs/dbraw/zinc/20/34/78/1206203478.db2.gz TZDFMOUJFFWLPA-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001094219844 1206203479 /nfs/dbraw/zinc/20/34/79/1206203479.db2.gz TZDFMOUJFFWLPA-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1 ZINC001094221502 1206203989 /nfs/dbraw/zinc/20/39/89/1206203989.db2.gz NNAAZFYDFBACTD-FVQBIDKESA-N 2 1 357.462 0.655 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001094241666 1206209765 /nfs/dbraw/zinc/20/97/65/1206209765.db2.gz VUYYURWATSXJRX-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001094380872 1206221886 /nfs/dbraw/zinc/22/18/86/1206221886.db2.gz ZGHVWRJBHFQMDJ-GPMSIDNRSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001094380872 1206221889 /nfs/dbraw/zinc/22/18/89/1206221889.db2.gz ZGHVWRJBHFQMDJ-GPMSIDNRSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001094380872 1206221892 /nfs/dbraw/zinc/22/18/92/1206221892.db2.gz ZGHVWRJBHFQMDJ-GPMSIDNRSA-N 2 1 363.506 0.467 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001094474302 1206233420 /nfs/dbraw/zinc/23/34/20/1206233420.db2.gz UFVIBQIUDLEKMY-KCZRXQPDSA-N 2 1 363.502 0.593 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCCO)CC2)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001094474302 1206233423 /nfs/dbraw/zinc/23/34/23/1206233423.db2.gz UFVIBQIUDLEKMY-KCZRXQPDSA-N 2 1 363.502 0.593 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCCO)CC2)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001094474302 1206233426 /nfs/dbraw/zinc/23/34/26/1206233426.db2.gz UFVIBQIUDLEKMY-KCZRXQPDSA-N 2 1 363.502 0.593 20 0 FCADMP C[C@@H](CCCC[NH2+]CCc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171499710 1206249438 /nfs/dbraw/zinc/24/94/38/1206249438.db2.gz FVIBTAACDNMOBJ-LZLYRXPVSA-N 2 1 365.522 0.946 20 0 FCADMP C[C@@H](CCCC[NH2+]CCc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171499710 1206249442 /nfs/dbraw/zinc/24/94/42/1206249442.db2.gz FVIBTAACDNMOBJ-LZLYRXPVSA-N 2 1 365.522 0.946 20 0 FCADMP CCn1ncc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001171500963 1206249467 /nfs/dbraw/zinc/24/94/67/1206249467.db2.gz OHDKLFNYIOGATE-ZMSDIMECSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1ncc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001171500963 1206249468 /nfs/dbraw/zinc/24/94/68/1206249468.db2.gz OHDKLFNYIOGATE-ZMSDIMECSA-N 2 1 366.510 0.782 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487849 1206249555 /nfs/dbraw/zinc/24/95/55/1206249555.db2.gz XIWUBXABPFWTJA-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487849 1206249560 /nfs/dbraw/zinc/24/95/60/1206249560.db2.gz XIWUBXABPFWTJA-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](CCCC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501757 1206250149 /nfs/dbraw/zinc/25/01/49/1206250149.db2.gz WJXOPAILFYBXMO-BFYDXBDKSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H](CCCC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501757 1206250154 /nfs/dbraw/zinc/25/01/54/1206250154.db2.gz WJXOPAILFYBXMO-BFYDXBDKSA-N 2 1 368.522 0.496 20 0 FCADMP c1cc(-c2noc(C3=NO[C@@H]4C[NH2+]C[C@@H]34)n2)ccc1C[NH+]1CCOCC1 ZINC001212628350 1206252140 /nfs/dbraw/zinc/25/21/40/1206252140.db2.gz ANNVXGZURMXQEH-HUUCEWRRSA-N 2 1 355.398 0.891 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001172251781 1206260189 /nfs/dbraw/zinc/26/01/89/1206260189.db2.gz JVAAXHGOTHPXMA-IRXDYDNUSA-N 2 1 366.506 0.251 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001172251781 1206260190 /nfs/dbraw/zinc/26/01/90/1206260190.db2.gz JVAAXHGOTHPXMA-IRXDYDNUSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1nc(Nc2cnn(CC[NH+](C)C)c2)cc(N2CC[NH+](CCO)CC2)n1 ZINC001176445378 1206314448 /nfs/dbraw/zinc/31/44/48/1206314448.db2.gz HXSOLIDRJRFXHS-UHFFFAOYSA-N 2 1 374.493 0.401 20 0 FCADMP C[NH+]1CCN(c2ncc(Nc3cnc(N4CC[NH+](C)CC4)nc3)cn2)CC1 ZINC001176630813 1206316607 /nfs/dbraw/zinc/31/66/07/1206316607.db2.gz QTZKRMDZTRNQTH-UHFFFAOYSA-N 2 1 369.477 0.514 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220582780 1224947292 /nfs/dbraw/zinc/94/72/92/1224947292.db2.gz DGBMTGUQNOZYCB-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220582780 1224947301 /nfs/dbraw/zinc/94/73/01/1224947301.db2.gz DGBMTGUQNOZYCB-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001178522274 1206358836 /nfs/dbraw/zinc/35/88/36/1206358836.db2.gz KHGTYUYDQMZBDO-LSDHHAIUSA-N 2 1 366.510 0.605 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001178528427 1206359468 /nfs/dbraw/zinc/35/94/68/1206359468.db2.gz YTLJIGMWNZSOFQ-LSDHHAIUSA-N 2 1 369.510 0.439 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811713 1206365716 /nfs/dbraw/zinc/36/57/16/1206365716.db2.gz ZRCQHMZYWUJFQM-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811713 1206365720 /nfs/dbraw/zinc/36/57/20/1206365720.db2.gz ZRCQHMZYWUJFQM-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP C[NH+]1CCN(CC(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC1 ZINC001178950610 1206368659 /nfs/dbraw/zinc/36/86/59/1206368659.db2.gz WBNIMBINICWFQL-QKLQHJQFSA-N 2 1 373.501 0.429 20 0 FCADMP COc1cc(N2CCN(C(=O)CN3CCN(C(C)C)CC3)CC2)ccn1 ZINC001180347204 1206392981 /nfs/dbraw/zinc/39/29/81/1206392981.db2.gz VVJDAPFGKUPENC-UHFFFAOYSA-N 2 1 361.490 0.765 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181875295 1206416672 /nfs/dbraw/zinc/41/66/72/1206416672.db2.gz XVUYBEYALWUCRS-YKTARERQSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181875295 1206416673 /nfs/dbraw/zinc/41/66/73/1206416673.db2.gz XVUYBEYALWUCRS-YKTARERQSA-N 2 1 368.522 0.304 20 0 FCADMP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496219 1206438001 /nfs/dbraw/zinc/43/80/01/1206438001.db2.gz ZVLVHDQSYJZCHT-HUUCEWRRSA-N 2 1 366.506 0.391 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001182838153 1206444476 /nfs/dbraw/zinc/44/44/76/1206444476.db2.gz LYPVGLCAHYMGAQ-AWEZNQCLSA-N 2 1 363.462 0.333 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001182838153 1206444477 /nfs/dbraw/zinc/44/44/77/1206444477.db2.gz LYPVGLCAHYMGAQ-AWEZNQCLSA-N 2 1 363.462 0.333 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)C2)O1 ZINC001183577119 1206456786 /nfs/dbraw/zinc/45/67/86/1206456786.db2.gz ZZMXOFQOTCUESQ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)C2)O1 ZINC001183577119 1206456790 /nfs/dbraw/zinc/45/67/90/1206456790.db2.gz ZZMXOFQOTCUESQ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001184058409 1206464153 /nfs/dbraw/zinc/46/41/53/1206464153.db2.gz UJPVPXNWGNUAHJ-LJQANCHMSA-N 2 1 368.522 0.405 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001184058409 1206464154 /nfs/dbraw/zinc/46/41/54/1206464154.db2.gz UJPVPXNWGNUAHJ-LJQANCHMSA-N 2 1 368.522 0.405 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784412 1206485471 /nfs/dbraw/zinc/48/54/71/1206485471.db2.gz VKCPDUXFERAPCW-MKXGPGLRSA-N 2 1 361.486 0.530 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510673 1206487777 /nfs/dbraw/zinc/48/77/77/1206487777.db2.gz HPPUKUKJACWLQB-BSDSXHPESA-N 2 1 360.502 0.482 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273512001 1206488766 /nfs/dbraw/zinc/48/87/66/1206488766.db2.gz OYGHRAMKLGHTDH-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273512001 1206488767 /nfs/dbraw/zinc/48/87/67/1206488767.db2.gz OYGHRAMKLGHTDH-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@]3(C2)C[N@H+](CCn2ccnc2)CCO3)C1 ZINC001273512001 1206488769 /nfs/dbraw/zinc/48/87/69/1206488769.db2.gz OYGHRAMKLGHTDH-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@]3(C2)C[N@@H+](CCn2ccnc2)CCO3)C1 ZINC001273512001 1206488770 /nfs/dbraw/zinc/48/87/70/1206488770.db2.gz OYGHRAMKLGHTDH-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410432 1206496812 /nfs/dbraw/zinc/49/68/12/1206496812.db2.gz VVLSOARDYOFHFA-BRWVUGGUSA-N 2 1 369.506 0.197 20 0 FCADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410432 1206496814 /nfs/dbraw/zinc/49/68/14/1206496814.db2.gz VVLSOARDYOFHFA-BRWVUGGUSA-N 2 1 369.506 0.197 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C ZINC001110385958 1206510766 /nfs/dbraw/zinc/51/07/66/1206510766.db2.gz BYFJLASOUUQRKG-LVQVYYBASA-N 2 1 365.522 0.900 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220599893 1224959134 /nfs/dbraw/zinc/95/91/34/1224959134.db2.gz QWHKOCJBTYCUOT-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220599893 1224959137 /nfs/dbraw/zinc/95/91/37/1224959137.db2.gz QWHKOCJBTYCUOT-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220643213 1224982906 /nfs/dbraw/zinc/98/29/06/1224982906.db2.gz VNXQVYQOBLEVAJ-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958080 1207405044 /nfs/dbraw/zinc/40/50/44/1207405044.db2.gz HWBICDSIUHZIMD-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958080 1207405048 /nfs/dbraw/zinc/40/50/48/1207405048.db2.gz HWBICDSIUHZIMD-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958080 1207405050 /nfs/dbraw/zinc/40/50/50/1207405050.db2.gz HWBICDSIUHZIMD-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958080 1207405054 /nfs/dbraw/zinc/40/50/54/1207405054.db2.gz HWBICDSIUHZIMD-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958080 1207405057 /nfs/dbraw/zinc/40/50/57/1207405057.db2.gz HWBICDSIUHZIMD-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001188107406 1207423186 /nfs/dbraw/zinc/42/31/86/1207423186.db2.gz NTUJFUHWCSHTPV-GVDBMIGSSA-N 2 1 368.497 0.821 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188643328 1207472007 /nfs/dbraw/zinc/47/20/07/1207472007.db2.gz PDEPHYBMMAMYKJ-SCTDSRPQSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188643328 1207472011 /nfs/dbraw/zinc/47/20/11/1207472011.db2.gz PDEPHYBMMAMYKJ-SCTDSRPQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001188970064 1207492616 /nfs/dbraw/zinc/49/26/16/1207492616.db2.gz FQJXECNUBDVBGA-HRCADAONSA-N 2 1 358.490 0.640 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001188970032 1207492694 /nfs/dbraw/zinc/49/26/94/1207492694.db2.gz FBMKCBMSNBDUOR-YESZJQIVSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001189054585 1207498241 /nfs/dbraw/zinc/49/82/41/1207498241.db2.gz HCKJJVJUVJUGGG-HRCADAONSA-N 2 1 362.474 0.941 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001189054585 1207498244 /nfs/dbraw/zinc/49/82/44/1207498244.db2.gz HCKJJVJUVJUGGG-HRCADAONSA-N 2 1 362.474 0.941 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118257 1207503016 /nfs/dbraw/zinc/50/30/16/1207503016.db2.gz TVWLSVUOAWHQKI-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118257 1207503018 /nfs/dbraw/zinc/50/30/18/1207503018.db2.gz TVWLSVUOAWHQKI-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118257 1207503022 /nfs/dbraw/zinc/50/30/22/1207503022.db2.gz TVWLSVUOAWHQKI-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159591 1207514214 /nfs/dbraw/zinc/51/42/14/1207514214.db2.gz AWQOIZDMDBAHHX-SOUVJXGZSA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159591 1207514224 /nfs/dbraw/zinc/51/42/24/1207514224.db2.gz AWQOIZDMDBAHHX-SOUVJXGZSA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159591 1207514228 /nfs/dbraw/zinc/51/42/28/1207514228.db2.gz AWQOIZDMDBAHHX-SOUVJXGZSA-N 2 1 364.490 0.302 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182144 1207515148 /nfs/dbraw/zinc/51/51/48/1207515148.db2.gz QFZFSAOUNHQHST-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182144 1207515149 /nfs/dbraw/zinc/51/51/49/1207515149.db2.gz QFZFSAOUNHQHST-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](COCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001189182457 1207515690 /nfs/dbraw/zinc/51/56/90/1207515690.db2.gz VESLTFPLEFRIKE-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786207 1207600922 /nfs/dbraw/zinc/60/09/22/1207600922.db2.gz APGURXCAHZOLRG-FGTMMUONSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786207 1207600929 /nfs/dbraw/zinc/60/09/29/1207600929.db2.gz APGURXCAHZOLRG-FGTMMUONSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820141 1207606007 /nfs/dbraw/zinc/60/60/07/1207606007.db2.gz RNOSXXPYSDIACK-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802315 1207609718 /nfs/dbraw/zinc/60/97/18/1207609718.db2.gz UBZHEJDWDPVWDQ-IXDOHACOSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802315 1207609730 /nfs/dbraw/zinc/60/97/30/1207609730.db2.gz UBZHEJDWDPVWDQ-IXDOHACOSA-N 2 1 362.518 0.776 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802350 1207609748 /nfs/dbraw/zinc/60/97/48/1207609748.db2.gz WFEAQKQHQPPHDM-DOTOQJQBSA-N 2 1 362.518 0.920 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802350 1207609759 /nfs/dbraw/zinc/60/97/59/1207609759.db2.gz WFEAQKQHQPPHDM-DOTOQJQBSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NCC1CCC1 ZINC001189801815 1207609789 /nfs/dbraw/zinc/60/97/89/1207609789.db2.gz OHGZMVYCOZKGLA-DLBZAZTESA-N 2 1 360.502 0.531 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NCC1CCC1 ZINC001189801815 1207609796 /nfs/dbraw/zinc/60/97/96/1207609796.db2.gz OHGZMVYCOZKGLA-DLBZAZTESA-N 2 1 360.502 0.531 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189802107 1207610776 /nfs/dbraw/zinc/61/07/76/1207610776.db2.gz SNYJQLXADWOJHQ-GOEBONIOSA-N 2 1 363.462 0.096 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189802107 1207610779 /nfs/dbraw/zinc/61/07/79/1207610779.db2.gz SNYJQLXADWOJHQ-GOEBONIOSA-N 2 1 363.462 0.096 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871776 1207614084 /nfs/dbraw/zinc/61/40/84/1207614084.db2.gz QMHVIEUETKVGFX-RCCFBDPRSA-N 2 1 371.522 0.275 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189852119 1207617823 /nfs/dbraw/zinc/61/78/23/1207617823.db2.gz VSXRFXBIYCCUAZ-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)CC4)C[C@H]2CC1 ZINC001273589628 1207623710 /nfs/dbraw/zinc/62/37/10/1207623710.db2.gz NHQXBBZJGVXYES-CALCHBBNSA-N 2 1 362.518 0.731 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001189891583 1207623809 /nfs/dbraw/zinc/62/38/09/1207623809.db2.gz TYELEAPRHGCWDK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189891583 1207623814 /nfs/dbraw/zinc/62/38/14/1207623814.db2.gz TYELEAPRHGCWDK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189891583 1207623821 /nfs/dbraw/zinc/62/38/21/1207623821.db2.gz TYELEAPRHGCWDK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189891583 1207623826 /nfs/dbraw/zinc/62/38/26/1207623826.db2.gz TYELEAPRHGCWDK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189891583 1207623830 /nfs/dbraw/zinc/62/38/30/1207623830.db2.gz TYELEAPRHGCWDK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220680947 1225008883 /nfs/dbraw/zinc/00/88/83/1225008883.db2.gz BRSQZYIIYOMINN-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220680947 1225008891 /nfs/dbraw/zinc/00/88/91/1225008891.db2.gz BRSQZYIIYOMINN-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220680947 1225008901 /nfs/dbraw/zinc/00/89/01/1225008901.db2.gz BRSQZYIIYOMINN-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220680947 1225008909 /nfs/dbraw/zinc/00/89/09/1225008909.db2.gz BRSQZYIIYOMINN-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178011 1207657968 /nfs/dbraw/zinc/65/79/68/1207657968.db2.gz UEMLIMTZTGMHCQ-FGTMMUONSA-N 2 1 369.506 0.150 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178011 1207657974 /nfs/dbraw/zinc/65/79/74/1207657974.db2.gz UEMLIMTZTGMHCQ-FGTMMUONSA-N 2 1 369.506 0.150 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001190178302 1207658363 /nfs/dbraw/zinc/65/83/63/1207658363.db2.gz WNKFVNVJNVPIQI-RCCFBDPRSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001190178302 1207658367 /nfs/dbraw/zinc/65/83/67/1207658367.db2.gz WNKFVNVJNVPIQI-RCCFBDPRSA-N 2 1 364.490 0.758 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)c1 ZINC001190318691 1207675198 /nfs/dbraw/zinc/67/51/98/1207675198.db2.gz SAQAOKQVGOCYGZ-RBUKOAKNSA-N 2 1 361.486 0.903 20 0 FCADMP CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)Cc1ccccc1 ZINC001190467034 1207691265 /nfs/dbraw/zinc/69/12/65/1207691265.db2.gz KGVFNDDEEAQBLA-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467034 1207691271 /nfs/dbraw/zinc/69/12/71/1207691271.db2.gz KGVFNDDEEAQBLA-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467034 1207691275 /nfs/dbraw/zinc/69/12/75/1207691275.db2.gz KGVFNDDEEAQBLA-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467034 1207691277 /nfs/dbraw/zinc/69/12/77/1207691277.db2.gz KGVFNDDEEAQBLA-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467034 1207691281 /nfs/dbraw/zinc/69/12/81/1207691281.db2.gz KGVFNDDEEAQBLA-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001273659778 1207879215 /nfs/dbraw/zinc/87/92/15/1207879215.db2.gz NCUKCXHUFUSQID-HNNXBMFYSA-N 2 1 362.478 0.183 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001273659779 1207879373 /nfs/dbraw/zinc/87/93/73/1207879373.db2.gz NCUKCXHUFUSQID-OAHLLOKOSA-N 2 1 362.478 0.183 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738153 1207886418 /nfs/dbraw/zinc/88/64/18/1207886418.db2.gz OSGBDMCZRLWZSQ-KZNAEPCWSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738153 1207886419 /nfs/dbraw/zinc/88/64/19/1207886419.db2.gz OSGBDMCZRLWZSQ-KZNAEPCWSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738153 1207886423 /nfs/dbraw/zinc/88/64/23/1207886423.db2.gz OSGBDMCZRLWZSQ-KZNAEPCWSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738153 1207886424 /nfs/dbraw/zinc/88/64/24/1207886424.db2.gz OSGBDMCZRLWZSQ-KZNAEPCWSA-N 2 1 369.506 0.216 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193755939 1207890603 /nfs/dbraw/zinc/89/06/03/1207890603.db2.gz NPWDEALLPSEINJ-GUDVDZBRSA-N 2 1 360.502 0.754 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001193902624 1207898075 /nfs/dbraw/zinc/89/80/75/1207898075.db2.gz VGMYTARQNNKBJU-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)n1 ZINC001193902624 1207898076 /nfs/dbraw/zinc/89/80/76/1207898076.db2.gz VGMYTARQNNKBJU-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)n1 ZINC001193902624 1207898079 /nfs/dbraw/zinc/89/80/79/1207898079.db2.gz VGMYTARQNNKBJU-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC001193902815 1207898344 /nfs/dbraw/zinc/89/83/44/1207898344.db2.gz YEWMHADFGAWRKI-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001193902815 1207898347 /nfs/dbraw/zinc/89/83/47/1207898347.db2.gz YEWMHADFGAWRKI-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001193902815 1207898348 /nfs/dbraw/zinc/89/83/48/1207898348.db2.gz YEWMHADFGAWRKI-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)[NH+](C)C ZINC001193953581 1207901236 /nfs/dbraw/zinc/90/12/36/1207901236.db2.gz LBMKGTQYHSMXOM-ZACQAIPSSA-N 2 1 362.474 0.033 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)[NH+](C)C ZINC001193953581 1207901238 /nfs/dbraw/zinc/90/12/38/1207901238.db2.gz LBMKGTQYHSMXOM-ZACQAIPSSA-N 2 1 362.474 0.033 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O)[NH+](C)C ZINC001193960883 1207901995 /nfs/dbraw/zinc/90/19/95/1207901995.db2.gz GWGOIBTTXJOAPT-QRVBRYPASA-N 2 1 363.502 0.951 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@H]1O)[NH+](C)C ZINC001194102294 1207918925 /nfs/dbraw/zinc/91/89/25/1207918925.db2.gz GQFFBLSMFDCPDI-KZNAEPCWSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@H]1O)[NH+](C)C ZINC001194102294 1207918928 /nfs/dbraw/zinc/91/89/28/1207918928.db2.gz GQFFBLSMFDCPDI-KZNAEPCWSA-N 2 1 365.474 0.576 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289826 1207934317 /nfs/dbraw/zinc/93/43/17/1207934317.db2.gz PDMGUNYOCLQQJK-CGTJXYLNSA-N 2 1 362.474 0.496 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001195641094 1208031245 /nfs/dbraw/zinc/03/12/45/1208031245.db2.gz YMRVYSISZRDLPU-KBAYOESNSA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001195641094 1208031250 /nfs/dbraw/zinc/03/12/50/1208031250.db2.gz YMRVYSISZRDLPU-KBAYOESNSA-N 2 1 364.490 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCNC(=O)NC(C)(C)C)CC2)CC[N@@H+]1C ZINC001195894151 1208043788 /nfs/dbraw/zinc/04/37/88/1208043788.db2.gz UGTBXEZOUFOIJW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCNC(=O)NC(C)(C)C)CC2)CC[N@H+]1C ZINC001195894151 1208043789 /nfs/dbraw/zinc/04/37/89/1208043789.db2.gz UGTBXEZOUFOIJW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CCNC(=O)NC(C)(C)C)CC2)CC[NH+]1C ZINC001195894151 1208043791 /nfs/dbraw/zinc/04/37/91/1208043791.db2.gz UGTBXEZOUFOIJW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CCNC(=O)NC(C)(C)C)CC2)CC[NH+]1C ZINC001195894151 1208043792 /nfs/dbraw/zinc/04/37/92/1208043792.db2.gz UGTBXEZOUFOIJW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001220728393 1225038517 /nfs/dbraw/zinc/03/85/17/1225038517.db2.gz JXFWXTNTVRIXDG-MOPGFXCFSA-N 2 1 365.518 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001220728393 1225038528 /nfs/dbraw/zinc/03/85/28/1225038528.db2.gz JXFWXTNTVRIXDG-MOPGFXCFSA-N 2 1 365.518 0.696 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207922 1208066023 /nfs/dbraw/zinc/06/60/23/1208066023.db2.gz WFMIGKHHNSEEAP-ARFHVFGLSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207922 1208066026 /nfs/dbraw/zinc/06/60/26/1208066026.db2.gz WFMIGKHHNSEEAP-ARFHVFGLSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207922 1208066029 /nfs/dbraw/zinc/06/60/29/1208066029.db2.gz WFMIGKHHNSEEAP-ARFHVFGLSA-N 2 1 368.522 0.042 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252307 1208069049 /nfs/dbraw/zinc/06/90/49/1208069049.db2.gz XMWYFEPRBOKFHD-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001196268297 1208069770 /nfs/dbraw/zinc/06/97/70/1208069770.db2.gz FRCQNYPQIOHIMN-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268297 1208069772 /nfs/dbraw/zinc/06/97/72/1208069772.db2.gz FRCQNYPQIOHIMN-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268297 1208069774 /nfs/dbraw/zinc/06/97/74/1208069774.db2.gz FRCQNYPQIOHIMN-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268297 1208069776 /nfs/dbraw/zinc/06/97/76/1208069776.db2.gz FRCQNYPQIOHIMN-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001196954527 1208125305 /nfs/dbraw/zinc/12/53/05/1208125305.db2.gz ZNXKEIKUNRPVPT-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001196954527 1208125307 /nfs/dbraw/zinc/12/53/07/1208125307.db2.gz ZNXKEIKUNRPVPT-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)CC1 ZINC001197320074 1208153349 /nfs/dbraw/zinc/15/33/49/1208153349.db2.gz VARPCVVGXLSUEE-RTBURBONSA-N 2 1 361.486 0.501 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1O ZINC001197782937 1208196109 /nfs/dbraw/zinc/19/61/09/1208196109.db2.gz KZNVRSDPMLBKPX-IAGOWNOFSA-N 2 1 361.442 0.672 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1O ZINC001197782937 1208196112 /nfs/dbraw/zinc/19/61/12/1208196112.db2.gz KZNVRSDPMLBKPX-IAGOWNOFSA-N 2 1 361.442 0.672 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@H]1O ZINC001197826442 1208202028 /nfs/dbraw/zinc/20/20/28/1208202028.db2.gz XGEMIXSGMWVTGO-NFTRUMFPSA-N 2 1 361.486 0.829 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001198046870 1208213426 /nfs/dbraw/zinc/21/34/26/1208213426.db2.gz HMVMVTWBNIAVPE-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001198046870 1208213428 /nfs/dbraw/zinc/21/34/28/1208213428.db2.gz HMVMVTWBNIAVPE-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001198046870 1208213429 /nfs/dbraw/zinc/21/34/29/1208213429.db2.gz HMVMVTWBNIAVPE-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001198046870 1208213431 /nfs/dbraw/zinc/21/34/31/1208213431.db2.gz HMVMVTWBNIAVPE-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198038267 1208216207 /nfs/dbraw/zinc/21/62/07/1208216207.db2.gz NGDDTKVWYSWPBA-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198038267 1208216209 /nfs/dbraw/zinc/21/62/09/1208216209.db2.gz NGDDTKVWYSWPBA-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198038267 1208216212 /nfs/dbraw/zinc/21/62/12/1208216212.db2.gz NGDDTKVWYSWPBA-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198038267 1208216217 /nfs/dbraw/zinc/21/62/17/1208216217.db2.gz NGDDTKVWYSWPBA-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001199023946 1208310328 /nfs/dbraw/zinc/31/03/28/1208310328.db2.gz VPDYWDWHWDUOHZ-IAGOWNOFSA-N 2 1 366.506 0.036 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199057458 1208314496 /nfs/dbraw/zinc/31/44/96/1208314496.db2.gz KBJLHHOMDGETMT-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCC1 ZINC001199127371 1208319823 /nfs/dbraw/zinc/31/98/23/1208319823.db2.gz AHOCWCDWSLWOAX-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCC1 ZINC001199127371 1208319825 /nfs/dbraw/zinc/31/98/25/1208319825.db2.gz AHOCWCDWSLWOAX-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385359 1208345612 /nfs/dbraw/zinc/34/56/12/1208345612.db2.gz SZZABOVUTLTCRB-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385359 1208345614 /nfs/dbraw/zinc/34/56/14/1208345614.db2.gz SZZABOVUTLTCRB-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385359 1208345616 /nfs/dbraw/zinc/34/56/16/1208345616.db2.gz SZZABOVUTLTCRB-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385359 1208345617 /nfs/dbraw/zinc/34/56/17/1208345617.db2.gz SZZABOVUTLTCRB-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)CC3CC3)CC2)O1 ZINC001201230285 1208449315 /nfs/dbraw/zinc/44/93/15/1208449315.db2.gz NQJUTZGBVZLLFZ-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)CC3CC3)CC2)O1 ZINC001201230285 1208449317 /nfs/dbraw/zinc/44/93/17/1208449317.db2.gz NQJUTZGBVZLLFZ-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1noc(CCC[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001201230770 1208449347 /nfs/dbraw/zinc/44/93/47/1208449347.db2.gz VHQNQXLERUHLRK-CZUORRHYSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001201230770 1208449349 /nfs/dbraw/zinc/44/93/49/1208449349.db2.gz VHQNQXLERUHLRK-CZUORRHYSA-N 2 1 365.478 0.610 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)c1nnnn1C ZINC001489056388 1208616526 /nfs/dbraw/zinc/61/65/26/1208616526.db2.gz UYEPIYLWVTUFAZ-KFWWJZLASA-N 2 1 351.499 0.830 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001489056388 1208616529 /nfs/dbraw/zinc/61/65/29/1208616529.db2.gz UYEPIYLWVTUFAZ-KFWWJZLASA-N 2 1 351.499 0.830 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279169 1208756357 /nfs/dbraw/zinc/75/63/57/1208756357.db2.gz JMXKJFLDESHGMC-GVDBMIGSSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279169 1208756361 /nfs/dbraw/zinc/75/63/61/1208756361.db2.gz JMXKJFLDESHGMC-GVDBMIGSSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279169 1208756364 /nfs/dbraw/zinc/75/63/64/1208756364.db2.gz JMXKJFLDESHGMC-GVDBMIGSSA-N 2 1 364.534 0.975 20 0 FCADMP CCOC(=O)C1=C(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCN2)C[NH2+]C1 ZINC001220827635 1225092538 /nfs/dbraw/zinc/09/25/38/1225092538.db2.gz WEKCGRCVPPQTHU-INIZCTEOSA-N 2 1 372.469 0.387 20 0 FCADMP CCOC(=O)C1=C(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCN2)C[NH2+]C1 ZINC001220827635 1225092545 /nfs/dbraw/zinc/09/25/45/1225092545.db2.gz WEKCGRCVPPQTHU-INIZCTEOSA-N 2 1 372.469 0.387 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001489545964 1208908582 /nfs/dbraw/zinc/90/85/82/1208908582.db2.gz LOXYHBQDQBDZPU-BFYDXBDKSA-N 2 1 356.511 0.256 20 0 FCADMP COc1ccccc1C1(CC(=O)NCCN2CC[NH2+]CC2=O)CC[NH2+]CC1 ZINC001220874416 1225118055 /nfs/dbraw/zinc/11/80/55/1225118055.db2.gz IXRVLFREMSVNIN-UHFFFAOYSA-N 2 1 374.485 0.255 20 0 FCADMP [NH3+]Cc1ccccc1-c1ccccc1CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220871900 1225118120 /nfs/dbraw/zinc/11/81/20/1225118120.db2.gz BVFUINSIRGDJFZ-UHFFFAOYSA-N 2 1 366.465 0.903 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220872077 1225118598 /nfs/dbraw/zinc/11/85/98/1225118598.db2.gz JJIFGHBXZMDYTN-INIZCTEOSA-N 2 1 356.470 0.343 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110615296 1209407035 /nfs/dbraw/zinc/40/70/35/1209407035.db2.gz MUYSWDKOYKKTST-FPCVCCKLSA-N 2 1 369.485 0.413 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110615296 1209407037 /nfs/dbraw/zinc/40/70/37/1209407037.db2.gz MUYSWDKOYKKTST-FPCVCCKLSA-N 2 1 369.485 0.413 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851741587 1209518222 /nfs/dbraw/zinc/51/82/22/1209518222.db2.gz LFAOBDQHUPPSQC-LVCYWYKZSA-N 2 1 374.529 0.850 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851741587 1209518224 /nfs/dbraw/zinc/51/82/24/1209518224.db2.gz LFAOBDQHUPPSQC-LVCYWYKZSA-N 2 1 374.529 0.850 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000852921351 1209578448 /nfs/dbraw/zinc/57/84/48/1209578448.db2.gz HURCRMITEROMHQ-OALUTQOASA-N 2 1 372.513 0.959 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCc3ncnn32)CCC1 ZINC001110664934 1209591995 /nfs/dbraw/zinc/59/19/95/1209591995.db2.gz FMHJZFJUKRGJRI-QXSJWSMHSA-N 2 1 358.490 0.971 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665267 1209592780 /nfs/dbraw/zinc/59/27/80/1209592780.db2.gz PREGOTJMVYGCON-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001110671187 1209597851 /nfs/dbraw/zinc/59/78/51/1209597851.db2.gz WXHZNUIPGLABBM-TVFCKZIOSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001110671187 1209597853 /nfs/dbraw/zinc/59/78/53/1209597853.db2.gz WXHZNUIPGLABBM-TVFCKZIOSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001110671187 1209597859 /nfs/dbraw/zinc/59/78/59/1209597859.db2.gz WXHZNUIPGLABBM-TVFCKZIOSA-N 2 1 361.490 0.450 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857100905 1209741536 /nfs/dbraw/zinc/74/15/36/1209741536.db2.gz OQTHUGATLGUSGB-KXBFYZLASA-N 2 1 368.441 0.532 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683829 1209874313 /nfs/dbraw/zinc/87/43/13/1209874313.db2.gz BDKPTBRHEQJOAA-PKOBYXMFSA-N 2 1 362.474 0.253 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975940 1225169102 /nfs/dbraw/zinc/16/91/02/1225169102.db2.gz BRQZGVNVXUZSPC-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975940 1225169106 /nfs/dbraw/zinc/16/91/06/1225169106.db2.gz BRQZGVNVXUZSPC-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975940 1225169110 /nfs/dbraw/zinc/16/91/10/1225169110.db2.gz BRQZGVNVXUZSPC-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864884342 1209967175 /nfs/dbraw/zinc/96/71/75/1209967175.db2.gz JASHNKNZOWUTOB-KLHDSHLOSA-N 2 1 366.481 0.811 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000866193163 1209993846 /nfs/dbraw/zinc/99/38/46/1209993846.db2.gz LDOGCYCLVNLKOZ-FVQHAEBGSA-N 2 1 370.513 0.925 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H](F)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000866193163 1209993847 /nfs/dbraw/zinc/99/38/47/1209993847.db2.gz LDOGCYCLVNLKOZ-FVQHAEBGSA-N 2 1 370.513 0.925 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H](F)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000866193163 1209993848 /nfs/dbraw/zinc/99/38/48/1209993848.db2.gz LDOGCYCLVNLKOZ-FVQHAEBGSA-N 2 1 370.513 0.925 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868228853 1210045276 /nfs/dbraw/zinc/04/52/76/1210045276.db2.gz IJCZFAJRMRKDFR-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000868286519 1210049743 /nfs/dbraw/zinc/04/97/43/1210049743.db2.gz OHTUSDCUKXXWAF-GJZGRUSLSA-N 2 1 359.474 0.715 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000868302802 1210050709 /nfs/dbraw/zinc/05/07/09/1210050709.db2.gz NEGJFGRFIAUIGA-IYBDPMFKSA-N 2 1 360.458 0.353 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994339 1225178615 /nfs/dbraw/zinc/17/86/15/1225178615.db2.gz MSDYFEFKGBSIKJ-MSOLQXFVSA-N 2 1 363.506 0.390 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063047 1225204793 /nfs/dbraw/zinc/20/47/93/1225204793.db2.gz KAFFHOTYTDTMSG-RBUKOAKNSA-N 2 1 359.518 0.518 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063047 1225204797 /nfs/dbraw/zinc/20/47/97/1225204797.db2.gz KAFFHOTYTDTMSG-RBUKOAKNSA-N 3 1 359.518 0.518 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063047 1225204800 /nfs/dbraw/zinc/20/48/00/1225204800.db2.gz KAFFHOTYTDTMSG-RBUKOAKNSA-N 3 1 359.518 0.518 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001221062637 1225205160 /nfs/dbraw/zinc/20/51/60/1225205160.db2.gz VPDYWDWHWDUOHZ-SJORKVTESA-N 2 1 366.506 0.036 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C(F)F)cc21 ZINC000876853197 1210432783 /nfs/dbraw/zinc/43/27/83/1210432783.db2.gz JPKSDQMRKXKTKX-CQSZACIVSA-N 2 1 367.400 0.983 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093860 1225219450 /nfs/dbraw/zinc/21/94/50/1225219450.db2.gz ZZNWGPONNHFYMM-QRVBRYPASA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093860 1225219454 /nfs/dbraw/zinc/21/94/54/1225219454.db2.gz ZZNWGPONNHFYMM-QRVBRYPASA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093860 1225219461 /nfs/dbraw/zinc/21/94/61/1225219461.db2.gz ZZNWGPONNHFYMM-QRVBRYPASA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC)ccn1 ZINC000882487266 1210623390 /nfs/dbraw/zinc/62/33/90/1210623390.db2.gz UFOIIZZFMQCELV-HOTGVXAUSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccnc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882487266 1210623394 /nfs/dbraw/zinc/62/33/94/1210623394.db2.gz UFOIIZZFMQCELV-HOTGVXAUSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccnc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000882487266 1210623397 /nfs/dbraw/zinc/62/33/97/1210623397.db2.gz UFOIIZZFMQCELV-HOTGVXAUSA-N 2 1 359.474 0.730 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882631393 1210629727 /nfs/dbraw/zinc/62/97/27/1210629727.db2.gz JPUSJPXRQHZCFQ-SFHVURJKSA-N 2 1 363.506 0.885 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882631393 1210629729 /nfs/dbraw/zinc/62/97/29/1210629729.db2.gz JPUSJPXRQHZCFQ-SFHVURJKSA-N 2 1 363.506 0.885 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883359341 1210663182 /nfs/dbraw/zinc/66/31/82/1210663182.db2.gz DPGICXGQANPZBN-INIZCTEOSA-N 2 1 365.522 0.844 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000883660033 1210682501 /nfs/dbraw/zinc/68/25/01/1210682501.db2.gz ZZSUJDSEBSQGJE-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884311837 1210728891 /nfs/dbraw/zinc/72/88/91/1210728891.db2.gz NUFUJKFIOXXVGV-UHFFFAOYSA-N 2 1 360.506 0.201 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000884496054 1210739009 /nfs/dbraw/zinc/73/90/09/1210739009.db2.gz LDSVTDWOMBSXIN-BPQIPLTHSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884532731 1210745800 /nfs/dbraw/zinc/74/58/00/1210745800.db2.gz PBVIWWKIPDCNRY-LMSBXDPUSA-N 2 1 358.486 0.961 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884618174 1210763915 /nfs/dbraw/zinc/76/39/15/1210763915.db2.gz YCNUSNRCJJCXPF-KRWDZBQOSA-N 2 1 358.486 0.939 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000884623356 1210764295 /nfs/dbraw/zinc/76/42/95/1210764295.db2.gz ANUUQTSZSOTSDH-KBXCAEBGSA-N 2 1 356.470 0.584 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626709 1210765937 /nfs/dbraw/zinc/76/59/37/1210765937.db2.gz SBVMXLLGKGFPSR-PMPSAXMXSA-N 2 1 364.490 0.004 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000884629845 1210766538 /nfs/dbraw/zinc/76/65/38/1210766538.db2.gz FUPXKYFDCAGKAE-UBDQQSCGSA-N 2 1 356.470 0.728 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000884675480 1210776851 /nfs/dbraw/zinc/77/68/51/1210776851.db2.gz FHWZRRJIKDQCRB-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000884675480 1210776854 /nfs/dbraw/zinc/77/68/54/1210776854.db2.gz FHWZRRJIKDQCRB-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884674169 1210777264 /nfs/dbraw/zinc/77/72/64/1210777264.db2.gz PDQXARBYPLUUIY-WAOWUJCRSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688524 1210781642 /nfs/dbraw/zinc/78/16/42/1210781642.db2.gz GQPXDFLVQAMYIZ-BPQIPLTHSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NCC3C[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884693843 1210782345 /nfs/dbraw/zinc/78/23/45/1210782345.db2.gz QTLLYOBHQXSSSS-FXAWDEMLSA-N 2 1 356.470 0.303 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694348 1210784063 /nfs/dbraw/zinc/78/40/63/1210784063.db2.gz JXPOIRBRXKRTGG-ROUUACIJSA-N 2 1 358.486 0.944 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884708794 1210785397 /nfs/dbraw/zinc/78/53/97/1210785397.db2.gz LGWHQTAZANIUMK-DLBZAZTESA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000884716757 1210787018 /nfs/dbraw/zinc/78/70/18/1210787018.db2.gz ICFRUBFVSPXOEW-ZAWLATJESA-N 2 1 372.513 0.985 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884783044 1210793935 /nfs/dbraw/zinc/79/39/35/1210793935.db2.gz PDXTZALXYLNECA-UONOGXRCSA-N 2 1 372.460 0.871 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000884790009 1210795621 /nfs/dbraw/zinc/79/56/21/1210795621.db2.gz GRUXWHJBKVVURR-OHTSDLOESA-N 2 1 356.470 0.554 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884824274 1210800014 /nfs/dbraw/zinc/80/00/14/1210800014.db2.gz UNUMLYCTJOGNAG-DZKDUJFISA-N 2 1 370.497 0.834 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884881757 1210802611 /nfs/dbraw/zinc/80/26/11/1210802611.db2.gz ILFFOYGGAVGBPB-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884881757 1210802613 /nfs/dbraw/zinc/80/26/13/1210802613.db2.gz ILFFOYGGAVGBPB-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000884982977 1210806473 /nfs/dbraw/zinc/80/64/73/1210806473.db2.gz LVEGQHKMRRZGLM-GNZRSQJKSA-N 2 1 356.470 0.635 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000884982714 1210806544 /nfs/dbraw/zinc/80/65/44/1210806544.db2.gz ITARNGOSUVSPDU-KSZLIROESA-N 2 1 356.470 0.648 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983095 1210807039 /nfs/dbraw/zinc/80/70/39/1210807039.db2.gz NUPBKOLYNRZZAX-NQIIRXRSSA-N 2 1 370.497 0.898 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000884984166 1210807045 /nfs/dbraw/zinc/80/70/45/1210807045.db2.gz RKANYPUETSFPDC-GOSISDBHSA-N 2 1 374.485 0.134 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000884984166 1210807047 /nfs/dbraw/zinc/80/70/47/1210807047.db2.gz RKANYPUETSFPDC-GOSISDBHSA-N 2 1 374.485 0.134 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884984244 1210807106 /nfs/dbraw/zinc/80/71/06/1210807106.db2.gz SXWQVEQSHOQRTF-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884984244 1210807107 /nfs/dbraw/zinc/80/71/07/1210807107.db2.gz SXWQVEQSHOQRTF-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)c1 ZINC000885018250 1210808718 /nfs/dbraw/zinc/80/87/18/1210808718.db2.gz LGUKDKZLIYBRFV-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)c1 ZINC000885018250 1210808719 /nfs/dbraw/zinc/80/87/19/1210808719.db2.gz LGUKDKZLIYBRFV-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000885139756 1210811881 /nfs/dbraw/zinc/81/18/81/1210811881.db2.gz LLKMFDSIUNEHCJ-HRCADAONSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000885139756 1210811883 /nfs/dbraw/zinc/81/18/83/1210811883.db2.gz LLKMFDSIUNEHCJ-HRCADAONSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152563 1210813080 /nfs/dbraw/zinc/81/30/80/1210813080.db2.gz QYIVMXMVWZFSNF-IRXDYDNUSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000885156131 1210813325 /nfs/dbraw/zinc/81/33/25/1210813325.db2.gz MPMCMDPOJZDOIQ-FHLIZLRMSA-N 2 1 358.486 0.758 20 0 FCADMP C[NH+]1CCC(CNC(=O)C(=O)NCCC(C)(C)[NH3+])(N2CCCCC2)CC1 ZINC000885203730 1210815704 /nfs/dbraw/zinc/81/57/04/1210815704.db2.gz YFWITVCAUQUZGU-UHFFFAOYSA-N 2 1 367.538 0.297 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000886872107 1210838333 /nfs/dbraw/zinc/83/83/33/1210838333.db2.gz JHJIJKUGJZKZOS-LJQANCHMSA-N 2 1 374.489 0.289 20 0 FCADMP CCN(C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000886993708 1210841940 /nfs/dbraw/zinc/84/19/40/1210841940.db2.gz JTCDMTSINKIGEX-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC001691720312 1210843810 /nfs/dbraw/zinc/84/38/10/1210843810.db2.gz XBYWBADCYWTXSS-KGLIPLIRSA-N 2 1 367.494 0.238 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)CC[C@@H]21 ZINC000887080731 1210846189 /nfs/dbraw/zinc/84/61/89/1210846189.db2.gz DVACNXDIAUZPKR-FUHIMQAGSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133300 1210849710 /nfs/dbraw/zinc/84/97/10/1210849710.db2.gz YEJKLHNWKUYVEX-OWCLPIDISA-N 2 1 359.474 0.705 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133300 1210849713 /nfs/dbraw/zinc/84/97/13/1210849713.db2.gz YEJKLHNWKUYVEX-OWCLPIDISA-N 2 1 359.474 0.705 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090887 1210878676 /nfs/dbraw/zinc/87/86/76/1210878676.db2.gz LRTDUPUXWQPXTB-OXFYSEKESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[C@H]4CCC[N@@H+](C)C4)(C2)C3)CC1 ZINC001274195406 1210908692 /nfs/dbraw/zinc/90/86/92/1210908692.db2.gz PHRZYYCOYWNOTG-APMMTJHUSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001274202583 1210910472 /nfs/dbraw/zinc/91/04/72/1210910472.db2.gz GOTQIHMLBQMDIP-GOSISDBHSA-N 2 1 361.490 0.681 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001274204353 1210912454 /nfs/dbraw/zinc/91/24/54/1210912454.db2.gz UCHUWJRUHMZDKG-GOEBONIOSA-N 2 1 360.458 0.277 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001274204353 1210912457 /nfs/dbraw/zinc/91/24/57/1210912457.db2.gz UCHUWJRUHMZDKG-GOEBONIOSA-N 2 1 360.458 0.277 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000174716338 1210985208 /nfs/dbraw/zinc/98/52/08/1210985208.db2.gz BIBGQULTZMJQIN-INIZCTEOSA-N 2 1 370.457 0.602 20 0 FCADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719206 1210985230 /nfs/dbraw/zinc/98/52/30/1210985230.db2.gz SUDIZUUHEALMSC-CQSZACIVSA-N 2 1 374.489 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(c4ncccn4)CC3)C2)CC[N@@H+]1C ZINC001066708522 1211003092 /nfs/dbraw/zinc/00/30/92/1211003092.db2.gz KICFMCKXVKGXDL-IXDOHACOSA-N 2 1 358.490 0.540 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(c4ncccn4)CC3)C2)CC[N@H+]1C ZINC001066708522 1211003094 /nfs/dbraw/zinc/00/30/94/1211003094.db2.gz KICFMCKXVKGXDL-IXDOHACOSA-N 2 1 358.490 0.540 20 0 FCADMP CCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275104666 1211175856 /nfs/dbraw/zinc/17/58/56/1211175856.db2.gz XWPMAZJSDCAPBM-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275104666 1211175859 /nfs/dbraw/zinc/17/58/59/1211175859.db2.gz XWPMAZJSDCAPBM-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP CCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275104666 1211175860 /nfs/dbraw/zinc/17/58/60/1211175860.db2.gz XWPMAZJSDCAPBM-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP Cc1nn(C)c(C)c1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275161520 1211185327 /nfs/dbraw/zinc/18/53/27/1211185327.db2.gz FYBURVCVDJUBNX-LJQANCHMSA-N 2 1 363.506 0.649 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275171679 1211188273 /nfs/dbraw/zinc/18/82/73/1211188273.db2.gz MPXZKGBKCZRWAF-KRWDZBQOSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275171679 1211188277 /nfs/dbraw/zinc/18/82/77/1211188277.db2.gz MPXZKGBKCZRWAF-KRWDZBQOSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275171679 1211188278 /nfs/dbraw/zinc/18/82/78/1211188278.db2.gz MPXZKGBKCZRWAF-KRWDZBQOSA-N 2 1 360.506 0.470 20 0 FCADMP COC(CN1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O)OC ZINC001275341665 1211217981 /nfs/dbraw/zinc/21/79/81/1211217981.db2.gz QNSUWGLKGSOZBD-IBGZPJMESA-N 2 1 369.506 0.785 20 0 FCADMP COC(CN1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O)OC ZINC001275341665 1211217985 /nfs/dbraw/zinc/21/79/85/1211217985.db2.gz QNSUWGLKGSOZBD-IBGZPJMESA-N 2 1 369.506 0.785 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449017 1211239864 /nfs/dbraw/zinc/23/98/64/1211239864.db2.gz YYBQFFJFXBBCIF-KBXCAEBGSA-N 2 1 359.430 0.099 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449017 1211239866 /nfs/dbraw/zinc/23/98/66/1211239866.db2.gz YYBQFFJFXBBCIF-KBXCAEBGSA-N 2 1 359.430 0.099 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507970 1211252518 /nfs/dbraw/zinc/25/25/18/1211252518.db2.gz MXIFMTDAOKNFMF-HNAYVOBHSA-N 2 1 369.506 0.687 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507970 1211252519 /nfs/dbraw/zinc/25/25/19/1211252519.db2.gz MXIFMTDAOKNFMF-HNAYVOBHSA-N 2 1 369.506 0.687 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510888 1211252869 /nfs/dbraw/zinc/25/28/69/1211252869.db2.gz AYAYOHFKQRZYSY-BEFAXECRSA-N 2 1 369.506 0.687 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556966 1211256498 /nfs/dbraw/zinc/25/64/98/1211256498.db2.gz RAGAIDAIWVXFEI-LJQANCHMSA-N 2 1 367.490 0.790 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556727 1211256631 /nfs/dbraw/zinc/25/66/31/1211256631.db2.gz OWHNOKWKOCJNDT-LPHOPBHVSA-N 2 1 366.506 0.143 20 0 FCADMP CCN(CC)C(=O)CN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556132 1211256642 /nfs/dbraw/zinc/25/66/42/1211256642.db2.gz GXAOTMQGIWPUHT-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738440 1211279115 /nfs/dbraw/zinc/27/91/15/1211279115.db2.gz ZFWLUKSSLXMLBN-DNVCBOLYSA-N 2 1 367.490 0.489 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742137 1211279734 /nfs/dbraw/zinc/27/97/34/1211279734.db2.gz BBSFHEMVKBZQTQ-QFBILLFUSA-N 2 1 366.506 0.286 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742139 1211279864 /nfs/dbraw/zinc/27/98/64/1211279864.db2.gz BBSFHEMVKBZQTQ-VQIMIIECSA-N 2 1 366.506 0.286 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803947 1211286844 /nfs/dbraw/zinc/28/68/44/1211286844.db2.gz NXCIHFHXURRZBT-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803947 1211286848 /nfs/dbraw/zinc/28/68/48/1211286848.db2.gz NXCIHFHXURRZBT-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803947 1211286850 /nfs/dbraw/zinc/28/68/50/1211286850.db2.gz NXCIHFHXURRZBT-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879879 1211304366 /nfs/dbraw/zinc/30/43/66/1211304366.db2.gz QRZLNSVAYAFWFJ-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879879 1211304370 /nfs/dbraw/zinc/30/43/70/1211304370.db2.gz QRZLNSVAYAFWFJ-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879879 1211304374 /nfs/dbraw/zinc/30/43/74/1211304374.db2.gz QRZLNSVAYAFWFJ-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)NC[C@H]3CCC(=O)N3)CC2)C1 ZINC001275881343 1211305206 /nfs/dbraw/zinc/30/52/06/1211305206.db2.gz ZDEWWEFCKUTTIS-GVDBMIGSSA-N 2 1 362.518 0.825 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881260 1211305295 /nfs/dbraw/zinc/30/52/95/1211305295.db2.gz YLNPIUJRRDDEFS-APWZRJJASA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881260 1211305297 /nfs/dbraw/zinc/30/52/97/1211305297.db2.gz YLNPIUJRRDDEFS-APWZRJJASA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275881260 1211305298 /nfs/dbraw/zinc/30/52/98/1211305298.db2.gz YLNPIUJRRDDEFS-APWZRJJASA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275881260 1211305300 /nfs/dbraw/zinc/30/53/00/1211305300.db2.gz YLNPIUJRRDDEFS-APWZRJJASA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879101 1211306149 /nfs/dbraw/zinc/30/61/49/1211306149.db2.gz NNGPJLLXKDHUAL-AZUAARDMSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879101 1211306151 /nfs/dbraw/zinc/30/61/51/1211306151.db2.gz NNGPJLLXKDHUAL-AZUAARDMSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879101 1211306152 /nfs/dbraw/zinc/30/61/52/1211306152.db2.gz NNGPJLLXKDHUAL-AZUAARDMSA-N 2 1 364.534 0.585 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095431842 1211335215 /nfs/dbraw/zinc/33/52/15/1211335215.db2.gz JVPYOQPWCXDDAI-OEAJRASXSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095431842 1211335216 /nfs/dbraw/zinc/33/52/16/1211335216.db2.gz JVPYOQPWCXDDAI-OEAJRASXSA-N 2 1 362.478 0.044 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4c3OCO4)C2)OCC1=O ZINC001276131007 1211362553 /nfs/dbraw/zinc/36/25/53/1211362553.db2.gz SHYQSBYILLDOJJ-LJQANCHMSA-N 2 1 361.442 0.780 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccn4ccnc34)C2)OCC1=O ZINC001276224278 1211384416 /nfs/dbraw/zinc/38/44/16/1211384416.db2.gz DVYJVSLVFDDMOD-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP CC[C@H](CCC(=O)OC)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269710 1211399949 /nfs/dbraw/zinc/39/99/49/1211399949.db2.gz OFUCCMPXVGDGOL-APWZRJJASA-N 2 1 369.506 0.831 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001095606276 1211423616 /nfs/dbraw/zinc/42/36/16/1211423616.db2.gz ZTURFUFWHGUOJA-LTIDMASMSA-N 2 1 360.502 0.815 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001095606276 1211423618 /nfs/dbraw/zinc/42/36/18/1211423618.db2.gz ZTURFUFWHGUOJA-LTIDMASMSA-N 2 1 360.502 0.815 20 0 FCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545883235 1211425940 /nfs/dbraw/zinc/42/59/40/1211425940.db2.gz DDSVKYJEBKRWND-LJQANCHMSA-N 2 1 361.490 0.174 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545883235 1211425942 /nfs/dbraw/zinc/42/59/42/1211425942.db2.gz DDSVKYJEBKRWND-LJQANCHMSA-N 2 1 361.490 0.174 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924643200 1211475629 /nfs/dbraw/zinc/47/56/29/1211475629.db2.gz LXCJZZATVADRKJ-CABCVRRESA-N 2 1 360.462 0.074 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924946487 1211485957 /nfs/dbraw/zinc/48/59/57/1211485957.db2.gz UELDYNAXUVNYNO-OAHLLOKOSA-N 2 1 370.494 0.376 20 0 FCADMP Cc1cc(N2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)nc(C)[nH+]1 ZINC000925223348 1211493562 /nfs/dbraw/zinc/49/35/62/1211493562.db2.gz GYPIINWZYADXIC-KRWDZBQOSA-N 2 1 359.474 0.947 20 0 FCADMP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000926127128 1211516758 /nfs/dbraw/zinc/51/67/58/1211516758.db2.gz TUNTXPDJVKUFMF-ROUUACIJSA-N 2 1 359.470 0.638 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926299051 1211528113 /nfs/dbraw/zinc/52/81/13/1211528113.db2.gz PAKBTZDMGYINPB-BPQIPLTHSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000926389563 1211543809 /nfs/dbraw/zinc/54/38/09/1211543809.db2.gz RUAJQMVOYHWUQR-OTWHNJEPSA-N 2 1 370.497 0.440 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000926389563 1211543812 /nfs/dbraw/zinc/54/38/12/1211543812.db2.gz RUAJQMVOYHWUQR-OTWHNJEPSA-N 2 1 370.497 0.440 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636417 1211577409 /nfs/dbraw/zinc/57/74/09/1211577409.db2.gz FNDJTFLQBZBBRR-WBVHZDCISA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636417 1211577414 /nfs/dbraw/zinc/57/74/14/1211577414.db2.gz FNDJTFLQBZBBRR-WBVHZDCISA-N 2 1 368.522 0.726 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927641368 1211578194 /nfs/dbraw/zinc/57/81/94/1211578194.db2.gz WWGAHXNWEQGXDT-KRWDZBQOSA-N 2 1 368.522 0.774 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000927644413 1211578371 /nfs/dbraw/zinc/57/83/71/1211578371.db2.gz HJZRYNOLVMHJTR-ROUUACIJSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000927644413 1211578372 /nfs/dbraw/zinc/57/83/72/1211578372.db2.gz HJZRYNOLVMHJTR-ROUUACIJSA-N 2 1 366.506 0.746 20 0 FCADMP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCN2C)N2CCCC2)c1 ZINC000929199642 1211622304 /nfs/dbraw/zinc/62/23/04/1211622304.db2.gz BTQOWACCGYUEFN-FUHWJXTLSA-N 2 1 374.485 0.769 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)Cc1ccccc1 ZINC000929398138 1211635392 /nfs/dbraw/zinc/63/53/92/1211635392.db2.gz IDVRBHNBVAPKLM-QZTJIDSGSA-N 2 1 360.502 0.876 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)Cc1ccccc1 ZINC000929398138 1211635394 /nfs/dbraw/zinc/63/53/94/1211635394.db2.gz IDVRBHNBVAPKLM-QZTJIDSGSA-N 2 1 360.502 0.876 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882691 1211669297 /nfs/dbraw/zinc/66/92/97/1211669297.db2.gz WCBDQTJAFROOHQ-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882691 1211669304 /nfs/dbraw/zinc/66/93/04/1211669304.db2.gz WCBDQTJAFROOHQ-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000929882691 1211669308 /nfs/dbraw/zinc/66/93/08/1211669308.db2.gz WCBDQTJAFROOHQ-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000929882691 1211669310 /nfs/dbraw/zinc/66/93/10/1211669310.db2.gz WCBDQTJAFROOHQ-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000930400997 1211706548 /nfs/dbraw/zinc/70/65/48/1211706548.db2.gz ZKCXDAIWRGHRKA-YOEHRIQHSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000930400997 1211706549 /nfs/dbraw/zinc/70/65/49/1211706549.db2.gz ZKCXDAIWRGHRKA-YOEHRIQHSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000930400995 1211706781 /nfs/dbraw/zinc/70/67/81/1211706781.db2.gz ZKCXDAIWRGHRKA-RHSMWYFYSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000930400995 1211706785 /nfs/dbraw/zinc/70/67/85/1211706785.db2.gz ZKCXDAIWRGHRKA-RHSMWYFYSA-N 2 1 359.474 0.544 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000931610844 1211763836 /nfs/dbraw/zinc/76/38/36/1211763836.db2.gz HYXPJOOASCRFOJ-WMLDXEAASA-N 2 1 359.474 0.707 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000931610840 1211763872 /nfs/dbraw/zinc/76/38/72/1211763872.db2.gz HYXPJOOASCRFOJ-RHSMWYFYSA-N 2 1 359.474 0.707 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878496 1211777141 /nfs/dbraw/zinc/77/71/41/1211777141.db2.gz JDUMLONLFZASDB-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878496 1211777144 /nfs/dbraw/zinc/77/71/44/1211777144.db2.gz JDUMLONLFZASDB-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931878496 1211777146 /nfs/dbraw/zinc/77/71/46/1211777146.db2.gz JDUMLONLFZASDB-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931878496 1211777148 /nfs/dbraw/zinc/77/71/48/1211777148.db2.gz JDUMLONLFZASDB-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889564 1211780482 /nfs/dbraw/zinc/78/04/82/1211780482.db2.gz DZOMZPIGJOLGSH-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889564 1211780488 /nfs/dbraw/zinc/78/04/88/1211780488.db2.gz DZOMZPIGJOLGSH-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889564 1211780490 /nfs/dbraw/zinc/78/04/90/1211780490.db2.gz DZOMZPIGJOLGSH-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889564 1211780495 /nfs/dbraw/zinc/78/04/95/1211780495.db2.gz DZOMZPIGJOLGSH-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933851007 1211848971 /nfs/dbraw/zinc/84/89/71/1211848971.db2.gz NTDKJFWHTWREIX-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099987 1211880398 /nfs/dbraw/zinc/88/03/98/1211880398.db2.gz ZCUIGWMFVZKUIB-MYPMTAMASA-N 2 1 365.478 0.023 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099987 1211880400 /nfs/dbraw/zinc/88/04/00/1211880400.db2.gz ZCUIGWMFVZKUIB-MYPMTAMASA-N 2 1 365.478 0.023 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188705 1211919118 /nfs/dbraw/zinc/91/91/18/1211919118.db2.gz DHUIXPYTIBQBFV-XDNAFOTISA-N 2 1 371.441 0.610 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188705 1211919122 /nfs/dbraw/zinc/91/91/22/1211919122.db2.gz DHUIXPYTIBQBFV-XDNAFOTISA-N 2 1 371.441 0.610 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)CC1 ZINC001111197317 1211923466 /nfs/dbraw/zinc/92/34/66/1211923466.db2.gz SKHFVPXBTHCUPP-NXHRZFHOSA-N 2 1 361.490 0.715 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001095769334 1211983016 /nfs/dbraw/zinc/98/30/16/1211983016.db2.gz IHRXCGUDQJDEOM-QZWWFDLISA-N 2 1 358.446 0.171 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001095769334 1211983023 /nfs/dbraw/zinc/98/30/23/1211983023.db2.gz IHRXCGUDQJDEOM-QZWWFDLISA-N 2 1 358.446 0.171 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC000948542260 1212196683 /nfs/dbraw/zinc/19/66/83/1212196683.db2.gz OWWGYEHJEJDHOI-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC000948542260 1212196690 /nfs/dbraw/zinc/19/66/90/1212196690.db2.gz OWWGYEHJEJDHOI-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCn3cncn3)CC2)O1 ZINC000948542260 1212196694 /nfs/dbraw/zinc/19/66/94/1212196694.db2.gz OWWGYEHJEJDHOI-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)O1 ZINC000948542260 1212196697 /nfs/dbraw/zinc/19/66/97/1212196697.db2.gz OWWGYEHJEJDHOI-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001111277467 1212204384 /nfs/dbraw/zinc/20/43/84/1212204384.db2.gz SXRBFHKGLOHBON-KURKYZTESA-N 2 1 363.506 0.745 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111279692 1212224910 /nfs/dbraw/zinc/22/49/10/1212224910.db2.gz HDRIXHGVTBXPGX-VQHPVUNQSA-N 2 1 366.506 0.202 20 0 FCADMP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111281324 1212233026 /nfs/dbraw/zinc/23/30/26/1212233026.db2.gz MZOMTUGEVAMAMC-VQHPVUNQSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281578 1212233396 /nfs/dbraw/zinc/23/33/96/1212233396.db2.gz YQDWVTHBSOGWMR-FPCVCCKLSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281578 1212233398 /nfs/dbraw/zinc/23/33/98/1212233398.db2.gz YQDWVTHBSOGWMR-FPCVCCKLSA-N 2 1 368.522 0.589 20 0 FCADMP CO[C@H](C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124362 1212300740 /nfs/dbraw/zinc/30/07/40/1212300740.db2.gz WWMWRFJGGNUQEZ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@H](C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124362 1212300748 /nfs/dbraw/zinc/30/07/48/1212300748.db2.gz WWMWRFJGGNUQEZ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000949184655 1212316006 /nfs/dbraw/zinc/31/60/06/1212316006.db2.gz PNBJFAJTNXMDSL-IIAWOOMASA-N 2 1 359.474 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000949197550 1212321277 /nfs/dbraw/zinc/32/12/77/1212321277.db2.gz WOWNBAHLDTVDSQ-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949319357 1212354831 /nfs/dbraw/zinc/35/48/31/1212354831.db2.gz NDIXIWHLPMYNRV-KBRIMQKVSA-N 2 1 359.474 0.496 20 0 FCADMP COC[C@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949395657 1212371309 /nfs/dbraw/zinc/37/13/09/1212371309.db2.gz YDURQWRZOINITJ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395657 1212371315 /nfs/dbraw/zinc/37/13/15/1212371315.db2.gz YDURQWRZOINITJ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395657 1212371321 /nfs/dbraw/zinc/37/13/21/1212371321.db2.gz YDURQWRZOINITJ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395657 1212371331 /nfs/dbraw/zinc/37/13/31/1212371331.db2.gz YDURQWRZOINITJ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001007477069 1212499649 /nfs/dbraw/zinc/49/96/49/1212499649.db2.gz KZZOVGXWHNHNJE-GUXCAODWSA-N 2 1 360.502 0.531 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001007478652 1212501288 /nfs/dbraw/zinc/50/12/88/1212501288.db2.gz AEQDYILYOYHZTN-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001007478652 1212501289 /nfs/dbraw/zinc/50/12/89/1212501289.db2.gz AEQDYILYOYHZTN-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001007479533 1212501552 /nfs/dbraw/zinc/50/15/52/1212501552.db2.gz LKBDOEDDZMSTSW-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001007479533 1212501556 /nfs/dbraw/zinc/50/15/56/1212501556.db2.gz LKBDOEDDZMSTSW-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001007479533 1212501561 /nfs/dbraw/zinc/50/15/61/1212501561.db2.gz LKBDOEDDZMSTSW-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007625198 1212540245 /nfs/dbraw/zinc/54/02/45/1212540245.db2.gz QTUMIWWLIXEWJD-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007625198 1212540250 /nfs/dbraw/zinc/54/02/50/1212540250.db2.gz QTUMIWWLIXEWJD-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007625198 1212540256 /nfs/dbraw/zinc/54/02/56/1212540256.db2.gz QTUMIWWLIXEWJD-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007625198 1212540261 /nfs/dbraw/zinc/54/02/61/1212540261.db2.gz QTUMIWWLIXEWJD-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001007856531 1212592771 /nfs/dbraw/zinc/59/27/71/1212592771.db2.gz JQIJGZPEFGDVSB-FTRWYGJKSA-N 2 1 360.502 0.531 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951236515 1212800476 /nfs/dbraw/zinc/80/04/76/1212800476.db2.gz BHBRCJQVWZUNMO-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951236515 1212800483 /nfs/dbraw/zinc/80/04/83/1212800483.db2.gz BHBRCJQVWZUNMO-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620536 1225401012 /nfs/dbraw/zinc/40/10/12/1225401012.db2.gz JQCOVFLWARZKFA-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620536 1225401013 /nfs/dbraw/zinc/40/10/13/1225401013.db2.gz JQCOVFLWARZKFA-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620536 1225401015 /nfs/dbraw/zinc/40/10/15/1225401015.db2.gz JQCOVFLWARZKFA-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C ZINC001111408412 1212994175 /nfs/dbraw/zinc/99/41/75/1212994175.db2.gz XDEUKDNJUJEJOQ-XDNAFOTISA-N 2 1 364.490 0.947 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(C)C ZINC001111408412 1212994181 /nfs/dbraw/zinc/99/41/81/1212994181.db2.gz XDEUKDNJUJEJOQ-XDNAFOTISA-N 2 1 364.490 0.947 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824107 1225417640 /nfs/dbraw/zinc/41/76/40/1225417640.db2.gz LQRGBHFUVVUJJY-ICSRJNTNSA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824107 1225417644 /nfs/dbraw/zinc/41/76/44/1225417644.db2.gz LQRGBHFUVVUJJY-ICSRJNTNSA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824107 1225417648 /nfs/dbraw/zinc/41/76/48/1225417648.db2.gz LQRGBHFUVVUJJY-ICSRJNTNSA-N 2 1 366.550 0.708 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000954410592 1213070617 /nfs/dbraw/zinc/07/06/17/1213070617.db2.gz JGDFDZDFYLHEFJ-FVQBIDKESA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000954410592 1213070621 /nfs/dbraw/zinc/07/06/21/1213070621.db2.gz JGDFDZDFYLHEFJ-FVQBIDKESA-N 2 1 359.474 0.770 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221657082 1225421188 /nfs/dbraw/zinc/42/11/88/1225421188.db2.gz JCAPNRSFLNUQEN-IXDOHACOSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221657082 1225421191 /nfs/dbraw/zinc/42/11/91/1225421191.db2.gz JCAPNRSFLNUQEN-IXDOHACOSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221657082 1225421193 /nfs/dbraw/zinc/42/11/93/1225421193.db2.gz JCAPNRSFLNUQEN-IXDOHACOSA-N 2 1 371.522 0.273 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21)c1cc[nH+]cc1 ZINC001221659001 1225422190 /nfs/dbraw/zinc/42/21/90/1225422190.db2.gz DMPJQHHJUMFRTI-SJLPKXTDSA-N 2 1 371.485 0.673 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21)c1cc[nH+]cc1 ZINC001221659001 1225422195 /nfs/dbraw/zinc/42/21/95/1225422195.db2.gz DMPJQHHJUMFRTI-SJLPKXTDSA-N 2 1 371.485 0.673 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000954648084 1213097819 /nfs/dbraw/zinc/09/78/19/1213097819.db2.gz ITIYUURAFZFIHR-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000954648084 1213097823 /nfs/dbraw/zinc/09/78/23/1213097823.db2.gz ITIYUURAFZFIHR-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000954648084 1213097828 /nfs/dbraw/zinc/09/78/28/1213097828.db2.gz ITIYUURAFZFIHR-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000954648084 1213097833 /nfs/dbraw/zinc/09/78/33/1213097833.db2.gz ITIYUURAFZFIHR-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000954649397 1213098158 /nfs/dbraw/zinc/09/81/58/1213098158.db2.gz QRXCSYYAOYKQOU-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000954649397 1213098162 /nfs/dbraw/zinc/09/81/62/1213098162.db2.gz QRXCSYYAOYKQOU-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000954649397 1213098165 /nfs/dbraw/zinc/09/81/65/1213098165.db2.gz QRXCSYYAOYKQOU-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000954649397 1213098171 /nfs/dbraw/zinc/09/81/71/1213098171.db2.gz QRXCSYYAOYKQOU-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000954649397 1213098174 /nfs/dbraw/zinc/09/81/74/1213098174.db2.gz QRXCSYYAOYKQOU-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000956414186 1213193894 /nfs/dbraw/zinc/19/38/94/1213193894.db2.gz RRWKBEYSQPCGJW-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000956414186 1213193895 /nfs/dbraw/zinc/19/38/95/1213193895.db2.gz RRWKBEYSQPCGJW-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000956414186 1213193897 /nfs/dbraw/zinc/19/38/97/1213193897.db2.gz RRWKBEYSQPCGJW-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000956414186 1213193898 /nfs/dbraw/zinc/19/38/98/1213193898.db2.gz RRWKBEYSQPCGJW-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000641801214 1213215981 /nfs/dbraw/zinc/21/59/81/1213215981.db2.gz BBVSLJFBJCIXDL-OALUTQOASA-N 2 1 372.513 0.981 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000641801216 1213216253 /nfs/dbraw/zinc/21/62/53/1213216253.db2.gz BBVSLJFBJCIXDL-RTBURBONSA-N 2 1 372.513 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CC[NH+]([C@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC000957552677 1213320903 /nfs/dbraw/zinc/32/09/03/1213320903.db2.gz WIQNQETZDMTRNP-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001221692780 1225444219 /nfs/dbraw/zinc/44/42/19/1225444219.db2.gz LJSJVGSDWSKDCH-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001221692780 1225444224 /nfs/dbraw/zinc/44/42/24/1225444224.db2.gz LJSJVGSDWSKDCH-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000958008301 1213375043 /nfs/dbraw/zinc/37/50/43/1213375043.db2.gz YSXLRQLXOITFFC-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000958008301 1213375046 /nfs/dbraw/zinc/37/50/46/1213375046.db2.gz YSXLRQLXOITFFC-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3COC(C)(C)OC3)C2)C1=O ZINC001276345823 1213425008 /nfs/dbraw/zinc/42/50/08/1213425008.db2.gz ICSGKOBHCHTPSI-LJQANCHMSA-N 2 1 367.490 0.788 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000959659195 1213489788 /nfs/dbraw/zinc/48/97/88/1213489788.db2.gz TVBGQDHCARBKJJ-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000959659195 1213489792 /nfs/dbraw/zinc/48/97/92/1213489792.db2.gz TVBGQDHCARBKJJ-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000959967311 1213565356 /nfs/dbraw/zinc/56/53/56/1213565356.db2.gz OTWJMFIPDGDMMF-DOEOUOAPSA-N 2 1 362.518 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000959967311 1213565360 /nfs/dbraw/zinc/56/53/60/1213565360.db2.gz OTWJMFIPDGDMMF-DOEOUOAPSA-N 2 1 362.518 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC000959967311 1213565363 /nfs/dbraw/zinc/56/53/63/1213565363.db2.gz OTWJMFIPDGDMMF-DOEOUOAPSA-N 2 1 362.518 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC000959967311 1213565367 /nfs/dbraw/zinc/56/53/67/1213565367.db2.gz OTWJMFIPDGDMMF-DOEOUOAPSA-N 2 1 362.518 0.822 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC000960523976 1213802962 /nfs/dbraw/zinc/80/29/62/1213802962.db2.gz HHYMRQKCTSWBAP-LHKMKVQPSA-N 2 1 361.490 0.211 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC000960523976 1213802963 /nfs/dbraw/zinc/80/29/63/1213802963.db2.gz HHYMRQKCTSWBAP-LHKMKVQPSA-N 2 1 361.490 0.211 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC000960523976 1213802965 /nfs/dbraw/zinc/80/29/65/1213802965.db2.gz HHYMRQKCTSWBAP-LHKMKVQPSA-N 2 1 361.490 0.211 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC000960523976 1213802969 /nfs/dbraw/zinc/80/29/69/1213802969.db2.gz HHYMRQKCTSWBAP-LHKMKVQPSA-N 2 1 361.490 0.211 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)O1 ZINC001011321147 1213869602 /nfs/dbraw/zinc/86/96/02/1213869602.db2.gz BKAIWHRXNAPUPN-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)O1 ZINC001011321147 1213869609 /nfs/dbraw/zinc/86/96/09/1213869609.db2.gz BKAIWHRXNAPUPN-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)O1 ZINC001011321147 1213869610 /nfs/dbraw/zinc/86/96/10/1213869610.db2.gz BKAIWHRXNAPUPN-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)O1 ZINC001011321147 1213869617 /nfs/dbraw/zinc/86/96/17/1213869617.db2.gz BKAIWHRXNAPUPN-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960780408 1213934928 /nfs/dbraw/zinc/93/49/28/1213934928.db2.gz FWDUKTJQLSSMIW-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733587 1213994944 /nfs/dbraw/zinc/99/49/44/1213994944.db2.gz UCVIRJUVMWFXSQ-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733587 1213994947 /nfs/dbraw/zinc/99/49/47/1213994947.db2.gz UCVIRJUVMWFXSQ-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733587 1213994952 /nfs/dbraw/zinc/99/49/52/1213994952.db2.gz UCVIRJUVMWFXSQ-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NC2CC2)CC3)CC[N@H+]1C ZINC001016631568 1214024773 /nfs/dbraw/zinc/02/47/73/1214024773.db2.gz VDYVRIGIFANNIB-GVDBMIGSSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N2CCCC2)CC3)CC[N@H+]1C ZINC001016632030 1214025338 /nfs/dbraw/zinc/02/53/38/1214025338.db2.gz KBNOEHLCTGYGHG-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2ccnn2C)CC3)O1 ZINC001016686261 1214034589 /nfs/dbraw/zinc/03/45/89/1214034589.db2.gz WNBWJDYPIPOENV-DJIMGWMZSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2ccnn2C)CC3)O1 ZINC001016686261 1214034595 /nfs/dbraw/zinc/03/45/95/1214034595.db2.gz WNBWJDYPIPOENV-DJIMGWMZSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC001019031517 1214181523 /nfs/dbraw/zinc/18/15/23/1214181523.db2.gz PKTVVDFSWNTQAX-HYVNUMGLSA-N 2 1 361.490 0.557 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC001019031517 1214181528 /nfs/dbraw/zinc/18/15/28/1214181528.db2.gz PKTVVDFSWNTQAX-HYVNUMGLSA-N 2 1 361.490 0.557 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001019043350 1214184290 /nfs/dbraw/zinc/18/42/90/1214184290.db2.gz PFHSWAJWPYLOCS-GDBMZVCRSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001019043350 1214184291 /nfs/dbraw/zinc/18/42/91/1214184291.db2.gz PFHSWAJWPYLOCS-GDBMZVCRSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+](C)C2CCC2)C3)CC[N@H+]1C ZINC001019071466 1214191979 /nfs/dbraw/zinc/19/19/79/1214191979.db2.gz LAGFLAJAYKJFTN-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[N@H+](C)C2CCC2)C3)CC[NH+]1C ZINC001019071466 1214191981 /nfs/dbraw/zinc/19/19/81/1214191981.db2.gz LAGFLAJAYKJFTN-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[N@@H+](C)C2CCC2)C3)CC[NH+]1C ZINC001019071466 1214191986 /nfs/dbraw/zinc/19/19/86/1214191986.db2.gz LAGFLAJAYKJFTN-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001020174887 1214316757 /nfs/dbraw/zinc/31/67/57/1214316757.db2.gz WEMPSVJZKLFMQE-ZQDZILKHSA-N 2 1 363.510 0.895 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001020174887 1214316759 /nfs/dbraw/zinc/31/67/59/1214316759.db2.gz WEMPSVJZKLFMQE-ZQDZILKHSA-N 2 1 363.510 0.895 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC001020286546 1214327260 /nfs/dbraw/zinc/32/72/60/1214327260.db2.gz CIEFOKJPPQOASP-LSCFUAHRSA-N 2 1 359.430 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC001020286546 1214327268 /nfs/dbraw/zinc/32/72/68/1214327268.db2.gz CIEFOKJPPQOASP-LSCFUAHRSA-N 2 1 359.430 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc3c(c2)nnn3C)CC[N@@H+]1C ZINC001038265462 1214349432 /nfs/dbraw/zinc/34/94/32/1214349432.db2.gz JVDSRIDWNPYUEC-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc3c(c2)nnn3C)CC[N@H+]1C ZINC001038265462 1214349437 /nfs/dbraw/zinc/34/94/37/1214349437.db2.gz JVDSRIDWNPYUEC-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc3c(c2)nnn3C)CC[NH+]1C ZINC001038265462 1214349444 /nfs/dbraw/zinc/34/94/44/1214349444.db2.gz JVDSRIDWNPYUEC-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc3c(c2)nnn3C)CC[NH+]1C ZINC001038265462 1214349446 /nfs/dbraw/zinc/34/94/46/1214349446.db2.gz JVDSRIDWNPYUEC-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001039787817 1214433094 /nfs/dbraw/zinc/43/30/94/1214433094.db2.gz QJLJRQSLRYYHMS-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221968959 1225556760 /nfs/dbraw/zinc/55/67/60/1225556760.db2.gz JJZMVNFIUYBYPP-QZTJIDSGSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221968959 1225556765 /nfs/dbraw/zinc/55/67/65/1225556765.db2.gz JJZMVNFIUYBYPP-QZTJIDSGSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221968959 1225556773 /nfs/dbraw/zinc/55/67/73/1225556773.db2.gz JJZMVNFIUYBYPP-QZTJIDSGSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968735 1225556873 /nfs/dbraw/zinc/55/68/73/1225556873.db2.gz XYFPQLNHEUIRGO-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968735 1225556877 /nfs/dbraw/zinc/55/68/77/1225556877.db2.gz XYFPQLNHEUIRGO-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968735 1225556881 /nfs/dbraw/zinc/55/68/81/1225556881.db2.gz XYFPQLNHEUIRGO-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968735 1225556883 /nfs/dbraw/zinc/55/68/83/1225556883.db2.gz XYFPQLNHEUIRGO-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H](C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC000965424931 1215064078 /nfs/dbraw/zinc/06/40/78/1215064078.db2.gz RDSYLPQJAPPVDB-OAGGEKHMSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000965993777 1215157350 /nfs/dbraw/zinc/15/73/50/1215157350.db2.gz BYVZJWJYWATGJH-QBPKDAKJSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000965993777 1215157353 /nfs/dbraw/zinc/15/73/53/1215157353.db2.gz BYVZJWJYWATGJH-QBPKDAKJSA-N 2 1 368.522 0.399 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000967994208 1215269243 /nfs/dbraw/zinc/26/92/43/1215269243.db2.gz UCMCBSPITDDNJZ-OLMNPRSZSA-N 2 1 362.518 0.728 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)c1 ZINC001222042799 1225587840 /nfs/dbraw/zinc/58/78/40/1225587840.db2.gz LVOOZEFIHVIBMA-RTBURBONSA-N 2 1 361.486 0.903 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968096491 1215285567 /nfs/dbraw/zinc/28/55/67/1215285567.db2.gz LQRQNPNYGOOLCN-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968096491 1215285568 /nfs/dbraw/zinc/28/55/68/1215285568.db2.gz LQRQNPNYGOOLCN-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968096491 1215285570 /nfs/dbraw/zinc/28/55/70/1215285570.db2.gz LQRQNPNYGOOLCN-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968096491 1215285571 /nfs/dbraw/zinc/28/55/71/1215285571.db2.gz LQRQNPNYGOOLCN-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP O=C1NCC[C@@]12C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222527659 1225631002 /nfs/dbraw/zinc/63/10/02/1225631002.db2.gz OGPABEDMBIUIDU-OAQYLSRUSA-N 3 1 365.481 0.656 20 0 FCADMP O=C1NCC[C@@]12CN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222527659 1225631012 /nfs/dbraw/zinc/63/10/12/1225631012.db2.gz OGPABEDMBIUIDU-OAQYLSRUSA-N 2 1 365.481 0.656 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055646851 1215897289 /nfs/dbraw/zinc/89/72/89/1215897289.db2.gz HJUAMYCUKNPCFG-QAPCUYQASA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)cn1 ZINC001098013298 1215924480 /nfs/dbraw/zinc/92/44/80/1215924480.db2.gz HHCSCSSTTJKJEZ-NCOADZHNSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)cn1 ZINC001098013298 1215924482 /nfs/dbraw/zinc/92/44/82/1215924482.db2.gz HHCSCSSTTJKJEZ-NCOADZHNSA-N 2 1 374.489 0.058 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056118036 1215950169 /nfs/dbraw/zinc/95/01/69/1215950169.db2.gz UTAJIQRPEQWGRR-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001056118036 1215950172 /nfs/dbraw/zinc/95/01/72/1215950172.db2.gz UTAJIQRPEQWGRR-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001056118036 1215950179 /nfs/dbraw/zinc/95/01/79/1215950179.db2.gz UTAJIQRPEQWGRR-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC001222646447 1225642634 /nfs/dbraw/zinc/64/26/34/1225642634.db2.gz AXIVHWYMQUOJQC-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342867 1216037435 /nfs/dbraw/zinc/03/74/35/1216037435.db2.gz QJKNTELQFIOCMT-QYZOEREBSA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC001000342867 1216037442 /nfs/dbraw/zinc/03/74/42/1216037442.db2.gz QJKNTELQFIOCMT-QYZOEREBSA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC001000342867 1216037445 /nfs/dbraw/zinc/03/74/45/1216037445.db2.gz QJKNTELQFIOCMT-QYZOEREBSA-N 2 1 370.497 0.753 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693896 1225646414 /nfs/dbraw/zinc/64/64/14/1225646414.db2.gz HACNXQGESJZCCV-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001000494517 1216072720 /nfs/dbraw/zinc/07/27/20/1216072720.db2.gz PRKWMFMUJGPAQI-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)C1 ZINC001000494517 1216072724 /nfs/dbraw/zinc/07/27/24/1216072724.db2.gz PRKWMFMUJGPAQI-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)C1 ZINC001000494517 1216072726 /nfs/dbraw/zinc/07/27/26/1216072726.db2.gz PRKWMFMUJGPAQI-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001000693104 1216105971 /nfs/dbraw/zinc/10/59/71/1216105971.db2.gz NHNQEZDIPHWCSW-IPELMVKDSA-N 2 1 365.518 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001000702669 1216108840 /nfs/dbraw/zinc/10/88/40/1216108840.db2.gz WWGWJDYFOWTDIN-GDBMZVCRSA-N 2 1 362.474 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC001000702669 1216108845 /nfs/dbraw/zinc/10/88/45/1216108845.db2.gz WWGWJDYFOWTDIN-GDBMZVCRSA-N 2 1 362.474 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC001000702669 1216108848 /nfs/dbraw/zinc/10/88/48/1216108848.db2.gz WWGWJDYFOWTDIN-GDBMZVCRSA-N 2 1 362.474 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001001419179 1216195005 /nfs/dbraw/zinc/19/50/05/1216195005.db2.gz PQYFVDYXDSLMIE-DJIMGWMZSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001050243689 1216300987 /nfs/dbraw/zinc/30/09/87/1216300987.db2.gz DRCRLMLBARZKTD-OLMNPRSZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001050243689 1216300994 /nfs/dbraw/zinc/30/09/94/1216300994.db2.gz DRCRLMLBARZKTD-OLMNPRSZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001050243689 1216301002 /nfs/dbraw/zinc/30/10/02/1216301002.db2.gz DRCRLMLBARZKTD-OLMNPRSZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001050243689 1216301008 /nfs/dbraw/zinc/30/10/08/1216301008.db2.gz DRCRLMLBARZKTD-OLMNPRSZSA-N 2 1 358.486 0.963 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222892358 1225663450 /nfs/dbraw/zinc/66/34/50/1225663450.db2.gz MQFDQIFQEHTAOI-ZACQAIPSSA-N 2 1 362.474 0.692 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222892358 1225663455 /nfs/dbraw/zinc/66/34/55/1225663455.db2.gz MQFDQIFQEHTAOI-ZACQAIPSSA-N 2 1 362.474 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C2CC2)CC3)CC[N@H+]1C ZINC001050523392 1216329645 /nfs/dbraw/zinc/32/96/45/1216329645.db2.gz BOTGPGRTKURTRD-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001050523686 1216331287 /nfs/dbraw/zinc/33/12/87/1216331287.db2.gz GKTRPYJHRMXADX-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1)C1CCC1 ZINC001222897645 1225664386 /nfs/dbraw/zinc/66/43/86/1225664386.db2.gz HNMOPVMWYDPTGR-QAPCUYQASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1)C1CCC1 ZINC001222897645 1225664389 /nfs/dbraw/zinc/66/43/89/1225664389.db2.gz HNMOPVMWYDPTGR-QAPCUYQASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1)C1CCC1 ZINC001222897645 1225664394 /nfs/dbraw/zinc/66/43/94/1225664394.db2.gz HNMOPVMWYDPTGR-QAPCUYQASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cccc3c2CC[NH+](CCCO)C3)O1 ZINC001051293082 1216427187 /nfs/dbraw/zinc/42/71/87/1216427187.db2.gz OARNKRUBQBRNHG-DNVCBOLYSA-N 2 1 361.486 0.762 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cccc3c2CC[NH+](CCCO)C3)O1 ZINC001051293082 1216427190 /nfs/dbraw/zinc/42/71/90/1216427190.db2.gz OARNKRUBQBRNHG-DNVCBOLYSA-N 2 1 361.486 0.762 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cccc3c2CC[N@H+](CCCO)C3)O1 ZINC001051293082 1216427196 /nfs/dbraw/zinc/42/71/96/1216427196.db2.gz OARNKRUBQBRNHG-DNVCBOLYSA-N 2 1 361.486 0.762 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cccc3c2CC[N@@H+](CCCO)C3)O1 ZINC001051293082 1216427202 /nfs/dbraw/zinc/42/72/02/1216427202.db2.gz OARNKRUBQBRNHG-DNVCBOLYSA-N 2 1 361.486 0.762 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccn3C(F)F)C2)CC[N@@H+]1C ZINC001051622196 1216467633 /nfs/dbraw/zinc/46/76/33/1216467633.db2.gz POSQZEPXHCSMTN-HZSPNIEDSA-N 2 1 371.432 0.935 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccn3C(F)F)C2)CC[N@H+]1C ZINC001051622196 1216467636 /nfs/dbraw/zinc/46/76/36/1216467636.db2.gz POSQZEPXHCSMTN-HZSPNIEDSA-N 2 1 371.432 0.935 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccc(C)n3)C2)CC[N@@H+]1C ZINC001051623840 1216468074 /nfs/dbraw/zinc/46/80/74/1216468074.db2.gz JLYMHNLWXFYCEM-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccc(C)n3)C2)CC[N@H+]1C ZINC001051623840 1216468079 /nfs/dbraw/zinc/46/80/79/1216468079.db2.gz JLYMHNLWXFYCEM-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001057746054 1216536939 /nfs/dbraw/zinc/53/69/39/1216536939.db2.gz LTMGBKVYIIUVCY-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCc3ccnn3C)CC2)O1 ZINC001052489912 1216561733 /nfs/dbraw/zinc/56/17/33/1216561733.db2.gz RDCTWBBRFDHSMM-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCc3ccnn3C)CC2)O1 ZINC001052489912 1216561737 /nfs/dbraw/zinc/56/17/37/1216561737.db2.gz RDCTWBBRFDHSMM-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCc3ccnn3C)CC2)O1 ZINC001052489912 1216561742 /nfs/dbraw/zinc/56/17/42/1216561742.db2.gz RDCTWBBRFDHSMM-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCc3ccnn3C)CC2)O1 ZINC001052489912 1216561746 /nfs/dbraw/zinc/56/17/46/1216561746.db2.gz RDCTWBBRFDHSMM-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487852 1216562362 /nfs/dbraw/zinc/56/23/62/1216562362.db2.gz DOFZHBMZMMLYBK-SOLBZPMBSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487852 1216562365 /nfs/dbraw/zinc/56/23/65/1216562365.db2.gz DOFZHBMZMMLYBK-SOLBZPMBSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487852 1216562369 /nfs/dbraw/zinc/56/23/69/1216562369.db2.gz DOFZHBMZMMLYBK-SOLBZPMBSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487852 1216562373 /nfs/dbraw/zinc/56/23/73/1216562373.db2.gz DOFZHBMZMMLYBK-SOLBZPMBSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000827449968 1216603707 /nfs/dbraw/zinc/60/37/07/1216603707.db2.gz ABTUMKOQBBOZCD-HNNXBMFYSA-N 2 1 356.430 0.450 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)cc1 ZINC001098043573 1216699475 /nfs/dbraw/zinc/69/94/75/1216699475.db2.gz MGJPYTBOOLWJMZ-BDXSIMOUSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)cc1 ZINC001098043573 1216699481 /nfs/dbraw/zinc/69/94/81/1216699481.db2.gz MGJPYTBOOLWJMZ-BDXSIMOUSA-N 2 1 356.470 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC3(CN(C(=O)CC[NH+](C)C)C3)O2)CC[N@H+]1C ZINC001068579448 1216747043 /nfs/dbraw/zinc/74/70/43/1216747043.db2.gz PESTXWAEYOOEDV-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001069845012 1216805706 /nfs/dbraw/zinc/80/57/06/1216805706.db2.gz RVNMUBFPUYGPIG-QLFBSQMISA-N 2 1 364.494 0.316 20 0 FCADMP CC(C)[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001069845012 1216805708 /nfs/dbraw/zinc/80/57/08/1216805708.db2.gz RVNMUBFPUYGPIG-QLFBSQMISA-N 2 1 364.494 0.316 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069956003 1216866240 /nfs/dbraw/zinc/86/62/40/1216866240.db2.gz YCVJKVGCTFSCAH-CVEARBPZSA-N 2 1 362.478 0.142 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069956003 1216866241 /nfs/dbraw/zinc/86/62/41/1216866241.db2.gz YCVJKVGCTFSCAH-CVEARBPZSA-N 2 1 362.478 0.142 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCCOC)[C@H]2C1)[NH+](C)C ZINC001223521984 1225712809 /nfs/dbraw/zinc/71/28/09/1225712809.db2.gz KACRNBCVWGUZQE-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCCCOC)[C@H]2C1)[NH+](C)C ZINC001223521984 1225712814 /nfs/dbraw/zinc/71/28/14/1225712814.db2.gz KACRNBCVWGUZQE-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570461 1225716793 /nfs/dbraw/zinc/71/67/93/1225716793.db2.gz PBSVYVBLHMCQDR-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570461 1225716799 /nfs/dbraw/zinc/71/67/99/1225716799.db2.gz PBSVYVBLHMCQDR-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N(C)C4CC4)C3)C2)CC[N@H+]1C ZINC001041295995 1217270778 /nfs/dbraw/zinc/27/07/78/1217270778.db2.gz BOXAAFFBXRUYLX-WRWLIDTKSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C4CC4)C3)C2)CC[NH+]1C ZINC001041295995 1217270781 /nfs/dbraw/zinc/27/07/81/1217270781.db2.gz BOXAAFFBXRUYLX-WRWLIDTKSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)N(C)C4CC4)C3)C2)CC[NH+]1C ZINC001041295995 1217270784 /nfs/dbraw/zinc/27/07/84/1217270784.db2.gz BOXAAFFBXRUYLX-WRWLIDTKSA-N 2 1 362.518 0.872 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001223763740 1225733928 /nfs/dbraw/zinc/73/39/28/1225733928.db2.gz JNRGROKUKFSWKQ-RYRKJORJSA-N 2 1 369.506 0.027 20 0 FCADMP Cc1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)cn1 ZINC001223916952 1225746122 /nfs/dbraw/zinc/74/61/22/1225746122.db2.gz WEPQMRLYDJTRDL-MSOLQXFVSA-N 2 1 361.490 0.786 20 0 FCADMP Cc1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)cn1 ZINC001223916952 1225746125 /nfs/dbraw/zinc/74/61/25/1225746125.db2.gz WEPQMRLYDJTRDL-MSOLQXFVSA-N 2 1 361.490 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223984773 1225750760 /nfs/dbraw/zinc/75/07/60/1225750760.db2.gz IEXRAESNHHTRKC-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223984773 1225750767 /nfs/dbraw/zinc/75/07/67/1225750767.db2.gz IEXRAESNHHTRKC-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223984773 1225750772 /nfs/dbraw/zinc/75/07/72/1225750772.db2.gz IEXRAESNHHTRKC-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959470 1225769248 /nfs/dbraw/zinc/76/92/48/1225769248.db2.gz RGBWKVDQRHRVIZ-FQEVSTJZSA-N 2 1 366.550 0.709 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959470 1225769255 /nfs/dbraw/zinc/76/92/55/1225769255.db2.gz RGBWKVDQRHRVIZ-FQEVSTJZSA-N 2 1 366.550 0.709 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959470 1225769259 /nfs/dbraw/zinc/76/92/59/1225769259.db2.gz RGBWKVDQRHRVIZ-FQEVSTJZSA-N 2 1 366.550 0.709 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224298001 1225771309 /nfs/dbraw/zinc/77/13/09/1225771309.db2.gz KIPJTKVSFRNKOS-ZACQAIPSSA-N 2 1 361.490 0.967 20 0 FCADMP CC1=C(C)C(=O)N(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000900340516 1217980487 /nfs/dbraw/zinc/98/04/87/1217980487.db2.gz ZKFVUHLFVIZHFI-UHFFFAOYSA-N 2 1 371.441 0.867 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000900645737 1218016467 /nfs/dbraw/zinc/01/64/67/1218016467.db2.gz VOKYRGTUOGIOGQ-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000900672178 1218022345 /nfs/dbraw/zinc/02/23/45/1218022345.db2.gz AISNIWHTRPBPPQ-SFHVURJKSA-N 2 1 365.566 0.687 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417279 1218034485 /nfs/dbraw/zinc/03/44/85/1218034485.db2.gz KDDJPLDQMKUDBF-SUMDDJOVSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417279 1218034488 /nfs/dbraw/zinc/03/44/88/1218034488.db2.gz KDDJPLDQMKUDBF-SUMDDJOVSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417279 1218034493 /nfs/dbraw/zinc/03/44/93/1218034493.db2.gz KDDJPLDQMKUDBF-SUMDDJOVSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417279 1218034498 /nfs/dbraw/zinc/03/44/98/1218034498.db2.gz KDDJPLDQMKUDBF-SUMDDJOVSA-N 2 1 363.506 0.745 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001046414521 1218035442 /nfs/dbraw/zinc/03/54/42/1218035442.db2.gz JACZAMFHKSDIKH-GPMSIDNRSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001046414521 1218035445 /nfs/dbraw/zinc/03/54/45/1218035445.db2.gz JACZAMFHKSDIKH-GPMSIDNRSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001046414521 1218035450 /nfs/dbraw/zinc/03/54/50/1218035450.db2.gz JACZAMFHKSDIKH-GPMSIDNRSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001046414521 1218035454 /nfs/dbraw/zinc/03/54/54/1218035454.db2.gz JACZAMFHKSDIKH-GPMSIDNRSA-N 2 1 366.506 0.299 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900922253 1218054393 /nfs/dbraw/zinc/05/43/93/1218054393.db2.gz OMMIJFBTWMPRJG-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000900954799 1218062885 /nfs/dbraw/zinc/06/28/85/1218062885.db2.gz LYTZFCQIXFCABV-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000900954799 1218062888 /nfs/dbraw/zinc/06/28/88/1218062888.db2.gz LYTZFCQIXFCABV-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@@H+]1C ZINC001096259466 1218198068 /nfs/dbraw/zinc/19/80/68/1218198068.db2.gz XZOBWQYHGWJYQP-HUUCEWRRSA-N 2 1 364.469 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@H+]1C ZINC001096259466 1218198071 /nfs/dbraw/zinc/19/80/71/1218198071.db2.gz XZOBWQYHGWJYQP-HUUCEWRRSA-N 2 1 364.469 0.584 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001225379030 1225809101 /nfs/dbraw/zinc/80/91/01/1225809101.db2.gz WBEXUXWPRMQCOX-BRWVUGGUSA-N 2 1 366.506 0.393 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC001048825270 1218320974 /nfs/dbraw/zinc/32/09/74/1218320974.db2.gz NWHSBLJJDJVWBQ-HCXYKTFWSA-N 2 1 365.518 0.506 20 0 FCADMP CCn1c(C)nnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828703 1218322810 /nfs/dbraw/zinc/32/28/10/1218322810.db2.gz BMRCLGCXMCSQTC-MXASKKJJSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1c(C)nnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828703 1218322814 /nfs/dbraw/zinc/32/28/14/1218322814.db2.gz BMRCLGCXMCSQTC-MXASKKJJSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1c(C)nnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828703 1218322820 /nfs/dbraw/zinc/32/28/20/1218322820.db2.gz BMRCLGCXMCSQTC-MXASKKJJSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1c(C)nnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828703 1218322823 /nfs/dbraw/zinc/32/28/23/1218322823.db2.gz BMRCLGCXMCSQTC-MXASKKJJSA-N 2 1 360.506 0.837 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829037 1218323078 /nfs/dbraw/zinc/32/30/78/1218323078.db2.gz GCCLYFKPJBQJSW-HSFUPAIVSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829037 1218323084 /nfs/dbraw/zinc/32/30/84/1218323084.db2.gz GCCLYFKPJBQJSW-HSFUPAIVSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829037 1218323089 /nfs/dbraw/zinc/32/30/89/1218323089.db2.gz GCCLYFKPJBQJSW-HSFUPAIVSA-N 2 1 362.518 0.633 20 0 FCADMP CCc1nocc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890171 1218335414 /nfs/dbraw/zinc/33/54/14/1218335414.db2.gz FLXQUELCSOLZOW-ZXFNITATSA-N 2 1 362.474 0.846 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890171 1218335418 /nfs/dbraw/zinc/33/54/18/1218335418.db2.gz FLXQUELCSOLZOW-ZXFNITATSA-N 2 1 362.474 0.846 20 0 FCADMP CCc1nocc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890171 1218335424 /nfs/dbraw/zinc/33/54/24/1218335424.db2.gz FLXQUELCSOLZOW-ZXFNITATSA-N 2 1 362.474 0.846 20 0 FCADMP CCc1nocc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890171 1218335429 /nfs/dbraw/zinc/33/54/29/1218335429.db2.gz FLXQUELCSOLZOW-ZXFNITATSA-N 2 1 362.474 0.846 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048923489 1218341751 /nfs/dbraw/zinc/34/17/51/1218341751.db2.gz RYGYMBOPNYEALP-YVSFHVDLSA-N 2 1 368.522 0.087 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001277071275 1225822349 /nfs/dbraw/zinc/82/23/49/1225822349.db2.gz TUSKNFPWCQMVSV-LJQANCHMSA-N 2 1 354.458 0.867 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@@]2(CCCN(Cc3cnnn3C)C2)C1=O ZINC001277072118 1225823531 /nfs/dbraw/zinc/82/35/31/1225823531.db2.gz LGAFZTOKHXNPJJ-QGZVFWFLSA-N 2 1 357.418 0.090 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000903731953 1218509733 /nfs/dbraw/zinc/50/97/33/1218509733.db2.gz BIJDGRSOUQLBPJ-SFHVURJKSA-N 2 1 364.534 0.775 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001097086300 1218685259 /nfs/dbraw/zinc/68/52/59/1218685259.db2.gz WHSIWRYDFOTKBE-MKXGPGLRSA-N 2 1 370.497 0.949 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001097095207 1218688144 /nfs/dbraw/zinc/68/81/44/1218688144.db2.gz FETXDKGUWNGSOU-SIXLDLHFSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001097095207 1218688153 /nfs/dbraw/zinc/68/81/53/1218688153.db2.gz FETXDKGUWNGSOU-SIXLDLHFSA-N 2 1 374.489 0.058 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001097551262 1218817438 /nfs/dbraw/zinc/81/74/38/1218817438.db2.gz CLVOUMFAORWKCQ-QXSJWSMHSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001097551262 1218817440 /nfs/dbraw/zinc/81/74/40/1218817440.db2.gz CLVOUMFAORWKCQ-QXSJWSMHSA-N 2 1 355.446 0.692 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001097581045 1218824036 /nfs/dbraw/zinc/82/40/36/1218824036.db2.gz NDYPXTJGEOFUPN-BDXSIMOUSA-N 2 1 358.490 0.874 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001097581045 1218824039 /nfs/dbraw/zinc/82/40/39/1218824039.db2.gz NDYPXTJGEOFUPN-BDXSIMOUSA-N 2 1 358.490 0.874 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001097779148 1218845356 /nfs/dbraw/zinc/84/53/56/1218845356.db2.gz IDBNRZYGOCRXBR-HPBDAGMYSA-N 2 1 362.518 0.966 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001227150156 1225864852 /nfs/dbraw/zinc/86/48/52/1225864852.db2.gz KYCQWODKOWYFAJ-BRWVUGGUSA-N 2 1 365.522 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001055357327 1219033165 /nfs/dbraw/zinc/03/31/65/1219033165.db2.gz CSQDVHNXRCIPMU-WCXIOVBPSA-N 2 1 362.518 0.585 20 0 FCADMP C/C=C(\C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055556222 1219077929 /nfs/dbraw/zinc/07/79/29/1219077929.db2.gz KBYHJVCBMYEZJF-MMNVJINWSA-N 2 1 366.506 0.369 20 0 FCADMP C/C=C(\C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055556222 1219077932 /nfs/dbraw/zinc/07/79/32/1219077932.db2.gz KBYHJVCBMYEZJF-MMNVJINWSA-N 2 1 366.506 0.369 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804051825 1219104192 /nfs/dbraw/zinc/10/41/92/1219104192.db2.gz VUVNAEAGPCRINK-BRWVUGGUSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804051825 1219104196 /nfs/dbraw/zinc/10/41/96/1219104196.db2.gz VUVNAEAGPCRINK-BRWVUGGUSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804051825 1219104203 /nfs/dbraw/zinc/10/42/03/1219104203.db2.gz VUVNAEAGPCRINK-BRWVUGGUSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057448 1219111147 /nfs/dbraw/zinc/11/11/47/1219111147.db2.gz PQRRJDAGEDFUHW-HOTGVXAUSA-N 2 1 363.462 0.067 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057448 1219111151 /nfs/dbraw/zinc/11/11/51/1219111151.db2.gz PQRRJDAGEDFUHW-HOTGVXAUSA-N 2 1 363.462 0.067 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804058335 1219113974 /nfs/dbraw/zinc/11/39/74/1219113974.db2.gz ZVLLLJZMCCYPEQ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804058335 1219113978 /nfs/dbraw/zinc/11/39/78/1219113978.db2.gz ZVLLLJZMCCYPEQ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804058335 1219113983 /nfs/dbraw/zinc/11/39/83/1219113983.db2.gz ZVLLLJZMCCYPEQ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059497 1219114567 /nfs/dbraw/zinc/11/45/67/1219114567.db2.gz IUNNTWTYGONNEJ-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059497 1219114573 /nfs/dbraw/zinc/11/45/73/1219114573.db2.gz IUNNTWTYGONNEJ-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059497 1219114579 /nfs/dbraw/zinc/11/45/79/1219114579.db2.gz IUNNTWTYGONNEJ-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804059711 1219115546 /nfs/dbraw/zinc/11/55/46/1219115546.db2.gz JYZBCFNQMOUFFB-BRWVUGGUSA-N 2 1 364.490 0.053 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000804062743 1219117793 /nfs/dbraw/zinc/11/77/93/1219117793.db2.gz KNKZNQQQCNCRAN-XHSDSOJGSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070068047 1219132095 /nfs/dbraw/zinc/13/20/95/1219132095.db2.gz CPPBIUFDNGAECR-SJORKVTESA-N 2 1 364.494 0.122 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077603 1219145117 /nfs/dbraw/zinc/14/51/17/1219145117.db2.gz KMMNNJSBQBZSPH-SJORKVTESA-N 2 1 358.490 0.906 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001227443430 1225874769 /nfs/dbraw/zinc/87/47/69/1225874769.db2.gz KCLSMIGKWLRVGR-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001227443430 1225874770 /nfs/dbraw/zinc/87/47/70/1225874770.db2.gz KCLSMIGKWLRVGR-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070132558 1219207055 /nfs/dbraw/zinc/20/70/55/1219207055.db2.gz IRJOKYKYWUQFDS-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070132558 1219207062 /nfs/dbraw/zinc/20/70/62/1219207062.db2.gz IRJOKYKYWUQFDS-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132558 1219207070 /nfs/dbraw/zinc/20/70/70/1219207070.db2.gz IRJOKYKYWUQFDS-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158389 1219244922 /nfs/dbraw/zinc/24/49/22/1219244922.db2.gz IMCYFDSRHYLRQX-OAGGEKHMSA-N 2 1 359.434 0.210 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158389 1219244925 /nfs/dbraw/zinc/24/49/25/1219244925.db2.gz IMCYFDSRHYLRQX-OAGGEKHMSA-N 2 1 359.434 0.210 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070158638 1219245926 /nfs/dbraw/zinc/24/59/26/1219245926.db2.gz TWOHHHWERVDQLE-ILXRZTDVSA-N 2 1 368.432 0.759 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001227543357 1225878243 /nfs/dbraw/zinc/87/82/43/1225878243.db2.gz HWQPWHKLSMAEAD-HZPDHXFCSA-N 2 1 364.490 0.788 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234770 1219310417 /nfs/dbraw/zinc/31/04/17/1219310417.db2.gz GYGCRPNNDLQOBA-WBVHZDCISA-N 2 1 357.462 0.805 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260419 1219330573 /nfs/dbraw/zinc/33/05/73/1219330573.db2.gz IGOYSNOXVIYUFL-OIISXLGYSA-N 2 1 357.462 0.797 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070309214 1219366670 /nfs/dbraw/zinc/36/66/70/1219366670.db2.gz WKRMOBQYJCOCQM-IKGGRYGDSA-N 2 1 364.494 0.267 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326966 1219377582 /nfs/dbraw/zinc/37/75/82/1219377582.db2.gz LVBCZDWWBAHKFQ-KURKYZTESA-N 2 1 354.458 0.772 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001070367515 1219399458 /nfs/dbraw/zinc/39/94/58/1219399458.db2.gz YXZNSJMNDBAZCM-NUJGCVRESA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001070367515 1219399461 /nfs/dbraw/zinc/39/94/61/1219399461.db2.gz YXZNSJMNDBAZCM-NUJGCVRESA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCCF)C2)O1 ZINC001070412504 1219409874 /nfs/dbraw/zinc/40/98/74/1219409874.db2.gz BLZQWSUTUMAMSM-IJEWVQPXSA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCCF)C2)O1 ZINC001070412504 1219409877 /nfs/dbraw/zinc/40/98/77/1219409877.db2.gz BLZQWSUTUMAMSM-IJEWVQPXSA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCCF)C2)O1 ZINC001070412504 1219409879 /nfs/dbraw/zinc/40/98/79/1219409879.db2.gz BLZQWSUTUMAMSM-IJEWVQPXSA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CCCF)C2)O1 ZINC001070412504 1219409881 /nfs/dbraw/zinc/40/98/81/1219409881.db2.gz BLZQWSUTUMAMSM-IJEWVQPXSA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)O1 ZINC001070505837 1219443558 /nfs/dbraw/zinc/44/35/58/1219443558.db2.gz LEWPSTVNFARJOA-AETAKHFUSA-N 2 1 361.490 0.433 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)O1 ZINC001070505837 1219443562 /nfs/dbraw/zinc/44/35/62/1219443562.db2.gz LEWPSTVNFARJOA-AETAKHFUSA-N 2 1 361.490 0.433 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070525001 1219452863 /nfs/dbraw/zinc/45/28/63/1219452863.db2.gz OADRZOZXVYPYFG-XYJFISCASA-N 2 1 363.506 0.418 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525972 1219453582 /nfs/dbraw/zinc/45/35/82/1219453582.db2.gz KEEYWROEHSTYEX-CGTJXYLNSA-N 2 1 363.506 0.823 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525972 1219453585 /nfs/dbraw/zinc/45/35/85/1219453585.db2.gz KEEYWROEHSTYEX-CGTJXYLNSA-N 2 1 363.506 0.823 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC1CCC1 ZINC001070632058 1219496351 /nfs/dbraw/zinc/49/63/51/1219496351.db2.gz DFEGBXHIBDBRIH-JFIYKMOQSA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC1CCC1 ZINC001070632058 1219496352 /nfs/dbraw/zinc/49/63/52/1219496352.db2.gz DFEGBXHIBDBRIH-JFIYKMOQSA-N 2 1 361.490 0.435 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913342 1219566558 /nfs/dbraw/zinc/56/65/58/1219566558.db2.gz IXYDLVCQUFSIET-ZACQAIPSSA-N 2 1 364.490 0.987 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913342 1219566561 /nfs/dbraw/zinc/56/65/61/1219566561.db2.gz IXYDLVCQUFSIET-ZACQAIPSSA-N 2 1 364.490 0.987 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913342 1219566565 /nfs/dbraw/zinc/56/65/65/1219566565.db2.gz IXYDLVCQUFSIET-ZACQAIPSSA-N 2 1 364.490 0.987 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001070926322 1219583414 /nfs/dbraw/zinc/58/34/14/1219583414.db2.gz DKJCQXULCGJYKT-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001070926322 1219583418 /nfs/dbraw/zinc/58/34/18/1219583418.db2.gz DKJCQXULCGJYKT-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972681 1219586151 /nfs/dbraw/zinc/58/61/51/1219586151.db2.gz GGHHBNYKTZIKRS-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972681 1219586153 /nfs/dbraw/zinc/58/61/53/1219586153.db2.gz GGHHBNYKTZIKRS-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972681 1219586156 /nfs/dbraw/zinc/58/61/56/1219586156.db2.gz GGHHBNYKTZIKRS-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972681 1219586159 /nfs/dbraw/zinc/58/61/59/1219586159.db2.gz GGHHBNYKTZIKRS-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001071057698 1219596801 /nfs/dbraw/zinc/59/68/01/1219596801.db2.gz ANSDMCSXUFWAFS-LHHMISFZSA-N 2 1 366.506 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCNC(=O)CC2)C3)CC[N@H+]1C ZINC001072752364 1219622250 /nfs/dbraw/zinc/62/22/50/1219622250.db2.gz HHVNJPDWGULSLR-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCNC(=O)CC2)C3)CC[NH+]1C ZINC001072752364 1219622252 /nfs/dbraw/zinc/62/22/52/1219622252.db2.gz HHVNJPDWGULSLR-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C3)CC[NH+]1C ZINC001072752364 1219622261 /nfs/dbraw/zinc/62/22/61/1219622261.db2.gz HHVNJPDWGULSLR-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccnn3C)CCCO2)CC[N@@H+]1C ZINC001073605071 1219671399 /nfs/dbraw/zinc/67/13/99/1219671399.db2.gz ACINTAAPSHZXNS-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccnn3C)CCCO2)CC[N@H+]1C ZINC001073605071 1219671403 /nfs/dbraw/zinc/67/14/03/1219671403.db2.gz ACINTAAPSHZXNS-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073605071 1219671406 /nfs/dbraw/zinc/67/14/06/1219671406.db2.gz ACINTAAPSHZXNS-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073605071 1219671408 /nfs/dbraw/zinc/67/14/08/1219671408.db2.gz ACINTAAPSHZXNS-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)CCCO2)CC[N@H+]1C ZINC001073610909 1219673009 /nfs/dbraw/zinc/67/30/09/1219673009.db2.gz HTSJPLVZSCNYIW-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073610909 1219673011 /nfs/dbraw/zinc/67/30/11/1219673011.db2.gz HTSJPLVZSCNYIW-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073610909 1219673013 /nfs/dbraw/zinc/67/30/13/1219673013.db2.gz HTSJPLVZSCNYIW-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CCCO2)CC[N@@H+]1C ZINC001073611406 1219673632 /nfs/dbraw/zinc/67/36/32/1219673632.db2.gz WHCCRKZZDTZMGL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CCCO2)CC[N@H+]1C ZINC001073611406 1219673635 /nfs/dbraw/zinc/67/36/35/1219673635.db2.gz WHCCRKZZDTZMGL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CCCO2)CC[NH+]1C ZINC001073611406 1219673637 /nfs/dbraw/zinc/67/36/37/1219673637.db2.gz WHCCRKZZDTZMGL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CCCO2)CC[NH+]1C ZINC001073611406 1219673639 /nfs/dbraw/zinc/67/36/39/1219673639.db2.gz WHCCRKZZDTZMGL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)CCCO2)CC[N@@H+]1C ZINC001073611538 1219673961 /nfs/dbraw/zinc/67/39/61/1219673961.db2.gz ZSDODCWNOOUQHS-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)CCCO2)CC[N@H+]1C ZINC001073611538 1219673965 /nfs/dbraw/zinc/67/39/65/1219673965.db2.gz ZSDODCWNOOUQHS-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCCC3)CCCO2)CC[NH+]1C ZINC001073611538 1219673969 /nfs/dbraw/zinc/67/39/69/1219673969.db2.gz ZSDODCWNOOUQHS-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CCCO2)CC[NH+]1C ZINC001073611538 1219673971 /nfs/dbraw/zinc/67/39/71/1219673971.db2.gz ZSDODCWNOOUQHS-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+](C)C)CC[C@@H]3C2)CC[N@H+]1C ZINC001074363671 1219686822 /nfs/dbraw/zinc/68/68/22/1219686822.db2.gz PYOXSIRSSGNYJI-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074630163 1219708231 /nfs/dbraw/zinc/70/82/31/1219708231.db2.gz CWDZMVYTROEWNR-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)[C@@H]2C)CC[N@@H+]1C ZINC001074661945 1219712007 /nfs/dbraw/zinc/71/20/07/1219712007.db2.gz UEYWIHUVNYWUJT-RQJABVFESA-N 2 1 370.448 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)[C@@H]2C)CC[N@H+]1C ZINC001074661945 1219712010 /nfs/dbraw/zinc/71/20/10/1219712010.db2.gz UEYWIHUVNYWUJT-RQJABVFESA-N 2 1 370.448 0.962 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001074710011 1219717470 /nfs/dbraw/zinc/71/74/70/1219717470.db2.gz ZVHKWYGPXZABFM-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001074710011 1219717475 /nfs/dbraw/zinc/71/74/75/1219717475.db2.gz ZVHKWYGPXZABFM-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098187661 1219734610 /nfs/dbraw/zinc/73/46/10/1219734610.db2.gz BNXQCMBTTRDTEG-KURKYZTESA-N 2 1 362.518 0.918 20 0 FCADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098187661 1219734613 /nfs/dbraw/zinc/73/46/13/1219734613.db2.gz BNXQCMBTTRDTEG-KURKYZTESA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)CC1 ZINC001098398837 1219773513 /nfs/dbraw/zinc/77/35/13/1219773513.db2.gz NHRMLGMVUOHDTA-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)CC1 ZINC001098398837 1219773517 /nfs/dbraw/zinc/77/35/17/1219773517.db2.gz NHRMLGMVUOHDTA-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC001098398837 1219773521 /nfs/dbraw/zinc/77/35/21/1219773521.db2.gz NHRMLGMVUOHDTA-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001098398837 1219773523 /nfs/dbraw/zinc/77/35/23/1219773523.db2.gz NHRMLGMVUOHDTA-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCF)nn3)C2)O1 ZINC001098685961 1219810616 /nfs/dbraw/zinc/81/06/16/1219810616.db2.gz VVRDMJVMOOPHTQ-VNQPRFMTSA-N 2 1 368.457 0.220 20 0 FCADMP CC(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685969 1219810797 /nfs/dbraw/zinc/81/07/97/1219810797.db2.gz WAVMAZVMIOIKQL-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001098946708 1219871707 /nfs/dbraw/zinc/87/17/07/1219871707.db2.gz VDGIYLKICORDHV-YJBOKZPZSA-N 2 1 360.462 0.187 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001098946708 1219871710 /nfs/dbraw/zinc/87/17/10/1219871710.db2.gz VDGIYLKICORDHV-YJBOKZPZSA-N 2 1 360.462 0.187 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCC(=O)NC2=O)C3)CC1 ZINC001099010544 1219888816 /nfs/dbraw/zinc/88/88/16/1219888816.db2.gz HYLYNUPWYXQEMX-DOXZYTNZSA-N 2 1 362.474 0.104 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099011103 1219888878 /nfs/dbraw/zinc/88/88/78/1219888878.db2.gz URBLWLAEGDDVIJ-ZWOKBUDYSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159892 1219935341 /nfs/dbraw/zinc/93/53/41/1219935341.db2.gz LMIAALZMSBYIGX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159892 1219935345 /nfs/dbraw/zinc/93/53/45/1219935345.db2.gz LMIAALZMSBYIGX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159892 1219935348 /nfs/dbraw/zinc/93/53/48/1219935348.db2.gz LMIAALZMSBYIGX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099163349 1219937089 /nfs/dbraw/zinc/93/70/89/1219937089.db2.gz SLYGUBAJWHCSCS-BXWFABGCSA-N 2 1 369.473 0.941 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099163349 1219937092 /nfs/dbraw/zinc/93/70/92/1219937092.db2.gz SLYGUBAJWHCSCS-BXWFABGCSA-N 2 1 369.473 0.941 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cncn3)C2)CC[N@H+]1C ZINC001099254853 1219957835 /nfs/dbraw/zinc/95/78/35/1219957835.db2.gz XWYDBCKDGWBEJT-AAVRWANBSA-N 2 1 374.411 0.597 20 0 FCADMP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001099446002 1219999273 /nfs/dbraw/zinc/99/92/73/1219999273.db2.gz GJSRGVKDKWPABV-KSSFIOAISA-N 2 1 361.494 0.413 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228603970 1225935155 /nfs/dbraw/zinc/93/51/55/1225935155.db2.gz VPAXKONKTYKNDL-BRWVUGGUSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1 ZINC001099464547 1220005976 /nfs/dbraw/zinc/00/59/76/1220005976.db2.gz KWJKANXJNDZTSD-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)C1 ZINC001099496089 1220014804 /nfs/dbraw/zinc/01/48/04/1220014804.db2.gz ADSDOBLKQUEPMO-VKJFTORMSA-N 2 1 361.494 0.270 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171488 1220208931 /nfs/dbraw/zinc/20/89/31/1220208931.db2.gz CFQLBONHXVMSLY-GJYPPUQNSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@@]2(C)C1 ZINC001101171729 1220209276 /nfs/dbraw/zinc/20/92/76/1220209276.db2.gz JLQYPYSVIJRLSJ-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101172097 1220209297 /nfs/dbraw/zinc/20/92/97/1220209297.db2.gz WOLXCDMSMJBYGO-MDZRGWNJSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101172097 1220209301 /nfs/dbraw/zinc/20/93/01/1220209301.db2.gz WOLXCDMSMJBYGO-MDZRGWNJSA-N 2 1 365.522 0.569 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101285932 1220267741 /nfs/dbraw/zinc/26/77/41/1220267741.db2.gz BIWNGOZBSCIPAI-LBTNJELSSA-N 2 1 366.462 0.137 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101285932 1220267744 /nfs/dbraw/zinc/26/77/44/1220267744.db2.gz BIWNGOZBSCIPAI-LBTNJELSSA-N 2 1 366.462 0.137 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342756 1220295600 /nfs/dbraw/zinc/29/56/00/1220295600.db2.gz MANTWSYDKYYODT-APWZRJJASA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@]2(C)C1 ZINC001101351291 1220298505 /nfs/dbraw/zinc/29/85/05/1220298505.db2.gz BLOPRAFYOLDMAK-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431210 1220339525 /nfs/dbraw/zinc/33/95/25/1220339525.db2.gz DQPIZUWJAVZAHM-FCEWJHQRSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429847 1220339583 /nfs/dbraw/zinc/33/95/83/1220339583.db2.gz CBSVMPAXRNWYCK-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429847 1220339589 /nfs/dbraw/zinc/33/95/89/1220339589.db2.gz CBSVMPAXRNWYCK-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429847 1220339594 /nfs/dbraw/zinc/33/95/94/1220339594.db2.gz CBSVMPAXRNWYCK-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432166 1220340825 /nfs/dbraw/zinc/34/08/25/1220340825.db2.gz FFBWUABCNSORRE-SIIHOXLZSA-N 2 1 365.478 0.798 20 0 FCADMP Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432166 1220340831 /nfs/dbraw/zinc/34/08/31/1220340831.db2.gz FFBWUABCNSORRE-SIIHOXLZSA-N 2 1 365.478 0.798 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431411 1220341893 /nfs/dbraw/zinc/34/18/93/1220341893.db2.gz NFJJODDLFJYKEN-APWZRJJASA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459682 1220357878 /nfs/dbraw/zinc/35/78/78/1220357878.db2.gz OXXQLOLNMRSPFE-QKLQHJQFSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459682 1220357883 /nfs/dbraw/zinc/35/78/83/1220357883.db2.gz OXXQLOLNMRSPFE-QKLQHJQFSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459682 1220357886 /nfs/dbraw/zinc/35/78/86/1220357886.db2.gz OXXQLOLNMRSPFE-QKLQHJQFSA-N 2 1 362.518 0.635 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460432 1220359503 /nfs/dbraw/zinc/35/95/03/1220359503.db2.gz FGVXMMANGNVIRS-YRNRMSPPSA-N 2 1 364.534 0.881 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460432 1220359506 /nfs/dbraw/zinc/35/95/06/1220359506.db2.gz FGVXMMANGNVIRS-YRNRMSPPSA-N 2 1 364.534 0.881 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460432 1220359508 /nfs/dbraw/zinc/35/95/08/1220359508.db2.gz FGVXMMANGNVIRS-YRNRMSPPSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461871 1220360121 /nfs/dbraw/zinc/36/01/21/1220360121.db2.gz XCPLAQWBZPLPMP-HBFSDRIKSA-N 2 1 367.534 0.896 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976346 1220449599 /nfs/dbraw/zinc/44/95/99/1220449599.db2.gz YNUFNHUPJMKHPY-NXHRZFHOSA-N 2 1 364.534 0.929 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086067 1220491021 /nfs/dbraw/zinc/49/10/21/1220491021.db2.gz OMUWOGRTOYYXEL-BRWVUGGUSA-N 2 1 371.522 0.036 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)nn1 ZINC001102156518 1220528051 /nfs/dbraw/zinc/52/80/51/1220528051.db2.gz XMKMWZLRMYYZCH-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)nn1 ZINC001102156518 1220528054 /nfs/dbraw/zinc/52/80/54/1220528054.db2.gz XMKMWZLRMYYZCH-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157734 1220528556 /nfs/dbraw/zinc/52/85/56/1220528556.db2.gz OEOCKEXCLOEBFE-BZUAXINKSA-N 2 1 364.490 0.453 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157734 1220528562 /nfs/dbraw/zinc/52/85/62/1220528562.db2.gz OEOCKEXCLOEBFE-BZUAXINKSA-N 2 1 364.490 0.453 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1)C1CC1 ZINC001102290652 1220575983 /nfs/dbraw/zinc/57/59/83/1220575983.db2.gz ORQZELHSVNETGA-HLLBOEOZSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290921 1220576378 /nfs/dbraw/zinc/57/63/78/1220576378.db2.gz YYMZBOXQXMROGY-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n(C)n1 ZINC001102320820 1220583568 /nfs/dbraw/zinc/58/35/68/1220583568.db2.gz UWUIFYIHNXGFIC-UKRRQHHQSA-N 2 1 364.494 0.303 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n(C)n1 ZINC001102320820 1220583573 /nfs/dbraw/zinc/58/35/73/1220583573.db2.gz UWUIFYIHNXGFIC-UKRRQHHQSA-N 2 1 364.494 0.303 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366452 1220594226 /nfs/dbraw/zinc/59/42/26/1220594226.db2.gz FWGDFJSUYYBGFW-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366452 1220594233 /nfs/dbraw/zinc/59/42/33/1220594233.db2.gz FWGDFJSUYYBGFW-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366452 1220594238 /nfs/dbraw/zinc/59/42/38/1220594238.db2.gz FWGDFJSUYYBGFW-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370345 1220597347 /nfs/dbraw/zinc/59/73/47/1220597347.db2.gz XQBXSPUHXYFBIY-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370345 1220597352 /nfs/dbraw/zinc/59/73/52/1220597352.db2.gz XQBXSPUHXYFBIY-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370345 1220597356 /nfs/dbraw/zinc/59/73/56/1220597356.db2.gz XQBXSPUHXYFBIY-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H](COCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102384956 1220603743 /nfs/dbraw/zinc/60/37/43/1220603743.db2.gz KWGKDENTSLRPAV-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384971 1220604206 /nfs/dbraw/zinc/60/42/06/1220604206.db2.gz LOABKZDLTACMJU-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488607 1220652298 /nfs/dbraw/zinc/65/22/98/1220652298.db2.gz AUPRSZCBISOYEK-HZPDHXFCSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488708 1220652367 /nfs/dbraw/zinc/65/23/67/1220652367.db2.gz FWZLEZHHIBTFJM-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489113 1220652621 /nfs/dbraw/zinc/65/26/21/1220652621.db2.gz TWZFVOBZVIVIRB-HZPDHXFCSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102496312 1220657246 /nfs/dbraw/zinc/65/72/46/1220657246.db2.gz PUUFRRMBYXLCFY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102496312 1220657248 /nfs/dbraw/zinc/65/72/48/1220657248.db2.gz PUUFRRMBYXLCFY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102496312 1220657252 /nfs/dbraw/zinc/65/72/52/1220657252.db2.gz PUUFRRMBYXLCFY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001102504371 1220663686 /nfs/dbraw/zinc/66/36/86/1220663686.db2.gz MSTAXVVMXNRWOD-VQIMIIECSA-N 2 1 367.534 0.801 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102506777 1220667387 /nfs/dbraw/zinc/66/73/87/1220667387.db2.gz CAHKGAYATPCTMI-JXXFODFXSA-N 2 1 360.502 0.894 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513322 1220672220 /nfs/dbraw/zinc/67/22/20/1220672220.db2.gz FUMLSYUJSCGNEO-RHSMWYFYSA-N 2 1 366.510 0.157 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102514378 1220674017 /nfs/dbraw/zinc/67/40/17/1220674017.db2.gz VIRXGFWFBKKSSA-HLLBOEOZSA-N 2 1 368.522 0.163 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524537 1220680418 /nfs/dbraw/zinc/68/04/18/1220680418.db2.gz KORPGCWTWLMMHD-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524537 1220680420 /nfs/dbraw/zinc/68/04/20/1220680420.db2.gz KORPGCWTWLMMHD-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524537 1220680424 /nfs/dbraw/zinc/68/04/24/1220680424.db2.gz KORPGCWTWLMMHD-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C ZINC001102580981 1220702295 /nfs/dbraw/zinc/70/22/95/1220702295.db2.gz TZRQMWGZGRGZOU-BRWVUGGUSA-N 2 1 363.506 0.573 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598976 1220721859 /nfs/dbraw/zinc/72/18/59/1220721859.db2.gz ISGKNRNTZORFNA-QLFBSQMISA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001102600284 1220723595 /nfs/dbraw/zinc/72/35/95/1220723595.db2.gz XMCUNJXLUZYLHP-BHIYHBOVSA-N 2 1 363.502 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001102600284 1220723598 /nfs/dbraw/zinc/72/35/98/1220723598.db2.gz XMCUNJXLUZYLHP-BHIYHBOVSA-N 2 1 363.502 0.982 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102613353 1220730944 /nfs/dbraw/zinc/73/09/44/1220730944.db2.gz WVXVCDMLJWNYQE-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102613353 1220730949 /nfs/dbraw/zinc/73/09/49/1220730949.db2.gz WVXVCDMLJWNYQE-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001102613353 1220730954 /nfs/dbraw/zinc/73/09/54/1220730954.db2.gz WVXVCDMLJWNYQE-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001102613353 1220730957 /nfs/dbraw/zinc/73/09/57/1220730957.db2.gz WVXVCDMLJWNYQE-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783075 1220781344 /nfs/dbraw/zinc/78/13/44/1220781344.db2.gz UUEMGVJTBXHORF-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102783075 1220781345 /nfs/dbraw/zinc/78/13/45/1220781345.db2.gz UUEMGVJTBXHORF-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102783075 1220781346 /nfs/dbraw/zinc/78/13/46/1220781346.db2.gz UUEMGVJTBXHORF-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001102783131 1220782059 /nfs/dbraw/zinc/78/20/59/1220782059.db2.gz WJWYGCNBXIVMRN-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001102783131 1220782068 /nfs/dbraw/zinc/78/20/68/1220782068.db2.gz WJWYGCNBXIVMRN-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001102783131 1220782072 /nfs/dbraw/zinc/78/20/72/1220782072.db2.gz WJWYGCNBXIVMRN-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001102783131 1220782076 /nfs/dbraw/zinc/78/20/76/1220782076.db2.gz WJWYGCNBXIVMRN-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780516 1220782639 /nfs/dbraw/zinc/78/26/39/1220782639.db2.gz DJUYIOQRZWEZBY-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780516 1220782641 /nfs/dbraw/zinc/78/26/41/1220782641.db2.gz DJUYIOQRZWEZBY-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780516 1220782643 /nfs/dbraw/zinc/78/26/43/1220782643.db2.gz DJUYIOQRZWEZBY-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780516 1220782647 /nfs/dbraw/zinc/78/26/47/1220782647.db2.gz DJUYIOQRZWEZBY-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818677 1220791229 /nfs/dbraw/zinc/79/12/29/1220791229.db2.gz BPGBTGNBKVCECV-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818677 1220791233 /nfs/dbraw/zinc/79/12/33/1220791233.db2.gz BPGBTGNBKVCECV-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818677 1220791236 /nfs/dbraw/zinc/79/12/36/1220791236.db2.gz BPGBTGNBKVCECV-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818677 1220791240 /nfs/dbraw/zinc/79/12/40/1220791240.db2.gz BPGBTGNBKVCECV-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819223 1220791361 /nfs/dbraw/zinc/79/13/61/1220791361.db2.gz QEPROOWAXJYMQN-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819223 1220791374 /nfs/dbraw/zinc/79/13/74/1220791374.db2.gz QEPROOWAXJYMQN-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819223 1220791382 /nfs/dbraw/zinc/79/13/82/1220791382.db2.gz QEPROOWAXJYMQN-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819223 1220791390 /nfs/dbraw/zinc/79/13/90/1220791390.db2.gz QEPROOWAXJYMQN-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818716 1220792406 /nfs/dbraw/zinc/79/24/06/1220792406.db2.gz DEQUGTSELHLDPE-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818716 1220792411 /nfs/dbraw/zinc/79/24/11/1220792411.db2.gz DEQUGTSELHLDPE-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102818716 1220792415 /nfs/dbraw/zinc/79/24/15/1220792415.db2.gz DEQUGTSELHLDPE-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102818716 1220792419 /nfs/dbraw/zinc/79/24/19/1220792419.db2.gz DEQUGTSELHLDPE-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102819346 1220792498 /nfs/dbraw/zinc/79/24/98/1220792498.db2.gz RBSKEDABRXRBRD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102819346 1220792500 /nfs/dbraw/zinc/79/25/00/1220792500.db2.gz RBSKEDABRXRBRD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001102819346 1220792503 /nfs/dbraw/zinc/79/25/03/1220792503.db2.gz RBSKEDABRXRBRD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001102819346 1220792506 /nfs/dbraw/zinc/79/25/06/1220792506.db2.gz RBSKEDABRXRBRD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818762 1220792916 /nfs/dbraw/zinc/79/29/16/1220792916.db2.gz GKVZWVIYNCUKFJ-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818762 1220792923 /nfs/dbraw/zinc/79/29/23/1220792923.db2.gz GKVZWVIYNCUKFJ-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818762 1220792929 /nfs/dbraw/zinc/79/29/29/1220792929.db2.gz GKVZWVIYNCUKFJ-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818762 1220792934 /nfs/dbraw/zinc/79/29/34/1220792934.db2.gz GKVZWVIYNCUKFJ-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994138 1220817648 /nfs/dbraw/zinc/81/76/48/1220817648.db2.gz SHBOUABIUGTUNB-QGPMSJSTSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994138 1220817650 /nfs/dbraw/zinc/81/76/50/1220817650.db2.gz SHBOUABIUGTUNB-QGPMSJSTSA-N 2 1 360.506 0.731 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060594 1220826329 /nfs/dbraw/zinc/82/63/29/1220826329.db2.gz UUGDYHTUDTVHHU-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060594 1220826330 /nfs/dbraw/zinc/82/63/30/1220826330.db2.gz UUGDYHTUDTVHHU-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060594 1220826333 /nfs/dbraw/zinc/82/63/33/1220826333.db2.gz UUGDYHTUDTVHHU-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136564 1220839343 /nfs/dbraw/zinc/83/93/43/1220839343.db2.gz JIANRSVBXXDHOT-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136564 1220839344 /nfs/dbraw/zinc/83/93/44/1220839344.db2.gz JIANRSVBXXDHOT-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136564 1220839347 /nfs/dbraw/zinc/83/93/47/1220839347.db2.gz JIANRSVBXXDHOT-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136564 1220839349 /nfs/dbraw/zinc/83/93/49/1220839349.db2.gz JIANRSVBXXDHOT-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001103140003 1220839736 /nfs/dbraw/zinc/83/97/36/1220839736.db2.gz IMKWBKWOJGWNHZ-KBAYOESNSA-N 2 1 370.538 0.554 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147991 1220840790 /nfs/dbraw/zinc/84/07/90/1220840790.db2.gz JIZVRJDJYBQYJA-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103147991 1220840794 /nfs/dbraw/zinc/84/07/94/1220840794.db2.gz JIZVRJDJYBQYJA-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103147991 1220840796 /nfs/dbraw/zinc/84/07/96/1220840796.db2.gz JIZVRJDJYBQYJA-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156406 1220841730 /nfs/dbraw/zinc/84/17/30/1220841730.db2.gz BFVCPEBARSSOMU-RBSFLKMASA-N 2 1 366.506 0.596 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156406 1220841733 /nfs/dbraw/zinc/84/17/33/1220841733.db2.gz BFVCPEBARSSOMU-RBSFLKMASA-N 2 1 366.506 0.596 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156406 1220841734 /nfs/dbraw/zinc/84/17/34/1220841734.db2.gz BFVCPEBARSSOMU-RBSFLKMASA-N 2 1 366.506 0.596 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185772 1220847435 /nfs/dbraw/zinc/84/74/35/1220847435.db2.gz PMPPDFYUSPSMKI-IAGOWNOFSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185828 1220847603 /nfs/dbraw/zinc/84/76/03/1220847603.db2.gz SKLWJVXNFXOCNK-BRWVUGGUSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001103267988 1220858938 /nfs/dbraw/zinc/85/89/38/1220858938.db2.gz MPKJFWORGNTAAL-BHIYHBOVSA-N 2 1 367.534 0.944 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374224 1220872761 /nfs/dbraw/zinc/87/27/61/1220872761.db2.gz AKMMZYVQIUVXLM-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374224 1220872765 /nfs/dbraw/zinc/87/27/65/1220872765.db2.gz AKMMZYVQIUVXLM-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378811 1220873808 /nfs/dbraw/zinc/87/38/08/1220873808.db2.gz LMZXPOXYMKJFKU-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380160 1220873985 /nfs/dbraw/zinc/87/39/85/1220873985.db2.gz HIHZVBQFKIVWPO-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398515 1220877339 /nfs/dbraw/zinc/87/73/39/1220877339.db2.gz WHDRIGBYDKJETK-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)on1 ZINC001103396988 1220877465 /nfs/dbraw/zinc/87/74/65/1220877465.db2.gz SIDBFTCNIWDWGQ-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)on1 ZINC001103396988 1220877468 /nfs/dbraw/zinc/87/74/68/1220877468.db2.gz SIDBFTCNIWDWGQ-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103434149 1220882700 /nfs/dbraw/zinc/88/27/00/1220882700.db2.gz ROMFDQRJMROLCW-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103434149 1220882702 /nfs/dbraw/zinc/88/27/02/1220882702.db2.gz ROMFDQRJMROLCW-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103434149 1220882705 /nfs/dbraw/zinc/88/27/05/1220882705.db2.gz ROMFDQRJMROLCW-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550190 1220899410 /nfs/dbraw/zinc/89/94/10/1220899410.db2.gz DDWOAURHEFMIAB-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662816 1220932072 /nfs/dbraw/zinc/93/20/72/1220932072.db2.gz SUNAYRGDFLVICN-OAGGEKHMSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662816 1220932078 /nfs/dbraw/zinc/93/20/78/1220932078.db2.gz SUNAYRGDFLVICN-OAGGEKHMSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662816 1220932083 /nfs/dbraw/zinc/93/20/83/1220932083.db2.gz SUNAYRGDFLVICN-OAGGEKHMSA-N 2 1 366.506 0.598 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103724910 1220953650 /nfs/dbraw/zinc/95/36/50/1220953650.db2.gz ZFHSBNUXSYLDPD-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103724910 1220953653 /nfs/dbraw/zinc/95/36/53/1220953653.db2.gz ZFHSBNUXSYLDPD-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103724652 1220955045 /nfs/dbraw/zinc/95/50/45/1220955045.db2.gz NPBQXRLTOFAXEM-IIAWOOMASA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103724652 1220955050 /nfs/dbraw/zinc/95/50/50/1220955050.db2.gz NPBQXRLTOFAXEM-IIAWOOMASA-N 2 1 361.490 0.933 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742445 1220958407 /nfs/dbraw/zinc/95/84/07/1220958407.db2.gz HKYXZABULKJMAO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742445 1220958411 /nfs/dbraw/zinc/95/84/11/1220958411.db2.gz HKYXZABULKJMAO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103742445 1220958416 /nfs/dbraw/zinc/95/84/16/1220958416.db2.gz HKYXZABULKJMAO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742445 1220958419 /nfs/dbraw/zinc/95/84/19/1220958419.db2.gz HKYXZABULKJMAO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740534 1220959187 /nfs/dbraw/zinc/95/91/87/1220959187.db2.gz LKKALSXEZPUKQE-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740534 1220959191 /nfs/dbraw/zinc/95/91/91/1220959191.db2.gz LKKALSXEZPUKQE-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740534 1220959195 /nfs/dbraw/zinc/95/91/95/1220959195.db2.gz LKKALSXEZPUKQE-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740534 1220959199 /nfs/dbraw/zinc/95/91/99/1220959199.db2.gz LKKALSXEZPUKQE-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742370 1220959264 /nfs/dbraw/zinc/95/92/64/1220959264.db2.gz DGGMGTZBFQLFHB-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742370 1220959267 /nfs/dbraw/zinc/95/92/67/1220959267.db2.gz DGGMGTZBFQLFHB-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742370 1220959272 /nfs/dbraw/zinc/95/92/72/1220959272.db2.gz DGGMGTZBFQLFHB-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742370 1220959274 /nfs/dbraw/zinc/95/92/74/1220959274.db2.gz DGGMGTZBFQLFHB-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742723 1220960182 /nfs/dbraw/zinc/96/01/82/1220960182.db2.gz SYMAWHJYITYOFK-ZACQAIPSSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742723 1220960184 /nfs/dbraw/zinc/96/01/84/1220960184.db2.gz SYMAWHJYITYOFK-ZACQAIPSSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742723 1220960188 /nfs/dbraw/zinc/96/01/88/1220960188.db2.gz SYMAWHJYITYOFK-ZACQAIPSSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742723 1220960192 /nfs/dbraw/zinc/96/01/92/1220960192.db2.gz SYMAWHJYITYOFK-ZACQAIPSSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742738 1220960298 /nfs/dbraw/zinc/96/02/98/1220960298.db2.gz UFFFQABPEKXEFP-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742738 1220960300 /nfs/dbraw/zinc/96/03/00/1220960300.db2.gz UFFFQABPEKXEFP-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742738 1220960304 /nfs/dbraw/zinc/96/03/04/1220960304.db2.gz UFFFQABPEKXEFP-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742738 1220960307 /nfs/dbraw/zinc/96/03/07/1220960307.db2.gz UFFFQABPEKXEFP-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999700 1220996856 /nfs/dbraw/zinc/99/68/56/1220996856.db2.gz HXUVMECTHDCQGL-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000018 1220997184 /nfs/dbraw/zinc/99/71/84/1220997184.db2.gz SISHHLGWJUFSRX-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)Cc1ccccc1)C2 ZINC001111499511 1221023917 /nfs/dbraw/zinc/02/39/17/1221023917.db2.gz KLINERNLBKBZSN-MKXGPGLRSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499511 1221023921 /nfs/dbraw/zinc/02/39/21/1221023921.db2.gz KLINERNLBKBZSN-MKXGPGLRSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499511 1221023923 /nfs/dbraw/zinc/02/39/23/1221023923.db2.gz KLINERNLBKBZSN-MKXGPGLRSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111499511 1221023934 /nfs/dbraw/zinc/02/39/34/1221023934.db2.gz KLINERNLBKBZSN-MKXGPGLRSA-N 2 1 361.486 0.847 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229389252 1226008310 /nfs/dbraw/zinc/00/83/10/1226008310.db2.gz NCRNRKJRQCTHDH-HZPDHXFCSA-N 2 1 364.494 0.443 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503119 1226014788 /nfs/dbraw/zinc/01/47/88/1226014788.db2.gz FLKGYNWPXPSQQG-RRFJBIMHSA-N 2 1 369.510 0.579 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789361 1221111031 /nfs/dbraw/zinc/11/10/31/1221111031.db2.gz PQPGFKLLUNETMI-FCEWJHQRSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789361 1221111035 /nfs/dbraw/zinc/11/10/35/1221111035.db2.gz PQPGFKLLUNETMI-FCEWJHQRSA-N 2 1 368.522 0.450 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811686 1221123665 /nfs/dbraw/zinc/12/36/65/1221123665.db2.gz KZDULUBZFDFAHA-UDHYTOICSA-N 2 1 363.502 0.857 20 0 FCADMP COCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001111811686 1221123668 /nfs/dbraw/zinc/12/36/68/1221123668.db2.gz KZDULUBZFDFAHA-UDHYTOICSA-N 2 1 363.502 0.857 20 0 FCADMP COCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001111811686 1221123671 /nfs/dbraw/zinc/12/36/71/1221123671.db2.gz KZDULUBZFDFAHA-UDHYTOICSA-N 2 1 363.502 0.857 20 0 FCADMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2)CC(C)(C)C ZINC001111873137 1221145489 /nfs/dbraw/zinc/14/54/89/1221145489.db2.gz LPISCYMLAJJPNM-UGSOOPFHSA-N 2 1 367.494 0.130 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2)CC(C)(C)C ZINC001111873137 1221145493 /nfs/dbraw/zinc/14/54/93/1221145493.db2.gz LPISCYMLAJJPNM-UGSOOPFHSA-N 2 1 367.494 0.130 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2)CC(C)(C)C ZINC001111873137 1221145495 /nfs/dbraw/zinc/14/54/95/1221145495.db2.gz LPISCYMLAJJPNM-UGSOOPFHSA-N 2 1 367.494 0.130 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2)CC(C)(C)C ZINC001111873137 1221145499 /nfs/dbraw/zinc/14/54/99/1221145499.db2.gz LPISCYMLAJJPNM-UGSOOPFHSA-N 2 1 367.494 0.130 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905455 1221160222 /nfs/dbraw/zinc/16/02/22/1221160222.db2.gz CFNUBXYXJCRBFG-HKUYNNGSSA-N 2 1 369.506 0.342 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905455 1221160226 /nfs/dbraw/zinc/16/02/26/1221160226.db2.gz CFNUBXYXJCRBFG-HKUYNNGSSA-N 2 1 369.506 0.342 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917190 1221166404 /nfs/dbraw/zinc/16/64/04/1221166404.db2.gz PWANHWSKDKYUFM-GMBSWORKSA-N 2 1 366.506 0.332 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916572 1221166762 /nfs/dbraw/zinc/16/67/62/1221166762.db2.gz AXBORISANDMHOT-BXWFABGCSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C2 ZINC001111925608 1221171319 /nfs/dbraw/zinc/17/13/19/1221171319.db2.gz BAHMGSHQLKTYJI-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C2 ZINC001111925608 1221171324 /nfs/dbraw/zinc/17/13/24/1221171324.db2.gz BAHMGSHQLKTYJI-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C2 ZINC001111925608 1221171325 /nfs/dbraw/zinc/17/13/25/1221171325.db2.gz BAHMGSHQLKTYJI-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)COCCOC)C2 ZINC001111927711 1221174147 /nfs/dbraw/zinc/17/41/47/1221174147.db2.gz KNPOJHVCHMCTEY-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)COCCOC)C2 ZINC001111927711 1221174149 /nfs/dbraw/zinc/17/41/49/1221174149.db2.gz KNPOJHVCHMCTEY-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)COCCOC)C2 ZINC001111927711 1221174156 /nfs/dbraw/zinc/17/41/56/1221174156.db2.gz KNPOJHVCHMCTEY-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)NCC1CC1 ZINC001111938142 1221178884 /nfs/dbraw/zinc/17/88/84/1221178884.db2.gz MXBMUBHGQQFJJF-JXFKEZNVSA-N 2 1 360.502 0.579 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)NCC1CC1 ZINC001111938142 1221178887 /nfs/dbraw/zinc/17/88/87/1221178887.db2.gz MXBMUBHGQQFJJF-JXFKEZNVSA-N 2 1 360.502 0.579 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)ncn1 ZINC001111939918 1221179468 /nfs/dbraw/zinc/17/94/68/1221179468.db2.gz ZXGYBPYAIMYWRB-LPHOPBHVSA-N 2 1 361.490 0.834 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939594 1221179519 /nfs/dbraw/zinc/17/95/19/1221179519.db2.gz IRJKTLAOIZZGEZ-BXWFABGCSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)nn1C ZINC001111938387 1221179870 /nfs/dbraw/zinc/17/98/70/1221179870.db2.gz YUYHRVVHDSEKSK-LPHOPBHVSA-N 2 1 363.506 0.777 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)nn1C ZINC001111938387 1221179872 /nfs/dbraw/zinc/17/98/72/1221179872.db2.gz YUYHRVVHDSEKSK-LPHOPBHVSA-N 2 1 363.506 0.777 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111939605 1221179941 /nfs/dbraw/zinc/17/99/41/1221179941.db2.gz IZDXSYKBSNZRLM-LPHOPBHVSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947426 1221181616 /nfs/dbraw/zinc/18/16/16/1221181616.db2.gz IPWGBCTXDKPOBH-DEYYWGMASA-N 2 1 367.494 0.272 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983537 1221193678 /nfs/dbraw/zinc/19/36/78/1221193678.db2.gz MTDVHHDATFVSLP-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983537 1221193680 /nfs/dbraw/zinc/19/36/80/1221193680.db2.gz MTDVHHDATFVSLP-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983537 1221193685 /nfs/dbraw/zinc/19/36/85/1221193685.db2.gz MTDVHHDATFVSLP-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001112004836 1221198674 /nfs/dbraw/zinc/19/86/74/1221198674.db2.gz NBMGBKMIVLCCCD-SCTDSRPQSA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001112004835 1221198831 /nfs/dbraw/zinc/19/88/31/1221198831.db2.gz NBMGBKMIVLCCCD-LNLFQRSKSA-N 2 1 363.506 0.555 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112285156 1221230344 /nfs/dbraw/zinc/23/03/44/1221230344.db2.gz OAUIQNUDZUZKDP-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291829 1221232814 /nfs/dbraw/zinc/23/28/14/1221232814.db2.gz ZYQQKLUSIROOGR-BXWFABGCSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291829 1221232816 /nfs/dbraw/zinc/23/28/16/1221232816.db2.gz ZYQQKLUSIROOGR-BXWFABGCSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001112401654 1221252487 /nfs/dbraw/zinc/25/24/87/1221252487.db2.gz QPJINPVBSUDKSF-JXFKEZNVSA-N 2 1 362.518 0.921 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229710534 1226029975 /nfs/dbraw/zinc/02/99/75/1226029975.db2.gz QAGGDECGSSARGH-ZIAGYGMSSA-N 2 1 368.482 0.231 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229853803 1226037412 /nfs/dbraw/zinc/03/74/12/1226037412.db2.gz VOIKSRTXTVWRNT-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001229868466 1226037444 /nfs/dbraw/zinc/03/74/44/1226037444.db2.gz IFLSLVWLHLHLJH-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138937 1226057228 /nfs/dbraw/zinc/05/72/28/1226057228.db2.gz WEJPHGPSXAEDEX-RRFJBIMHSA-N 2 1 367.494 0.191 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC001118185086 1221728773 /nfs/dbraw/zinc/72/87/73/1221728773.db2.gz SOXHVFQJXRLIBK-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC001118185086 1221728775 /nfs/dbraw/zinc/72/87/75/1221728775.db2.gz SOXHVFQJXRLIBK-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC001118185086 1221728779 /nfs/dbraw/zinc/72/87/79/1221728779.db2.gz SOXHVFQJXRLIBK-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC001118185086 1221728781 /nfs/dbraw/zinc/72/87/81/1221728781.db2.gz SOXHVFQJXRLIBK-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nn(C)cc3C(N)=O)CC2)CC1 ZINC001118377957 1221770271 /nfs/dbraw/zinc/77/02/71/1221770271.db2.gz BMJMRPGHWZVDRZ-UHFFFAOYSA-N 2 1 362.478 0.654 20 0 FCADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC(N)=O ZINC001118424195 1221776976 /nfs/dbraw/zinc/77/69/76/1221776976.db2.gz TWXGYFCIUGYVBG-MRXNPFEDSA-N 2 1 363.458 0.902 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119423647 1221915651 /nfs/dbraw/zinc/91/56/51/1221915651.db2.gz BBTOILXRIYWXLV-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001120595453 1222107399 /nfs/dbraw/zinc/10/73/99/1222107399.db2.gz FGYJPCCJDZVRBQ-LJQANCHMSA-N 2 1 374.533 0.137 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001120643232 1222110726 /nfs/dbraw/zinc/11/07/26/1222110726.db2.gz YRUYGQPDGAGGGY-YESZJQIVSA-N 2 1 366.506 0.386 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001123759864 1222355801 /nfs/dbraw/zinc/35/58/01/1222355801.db2.gz HKWHWTCMMDXRCA-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001123759864 1222355806 /nfs/dbraw/zinc/35/58/06/1222355806.db2.gz HKWHWTCMMDXRCA-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP O=C1N[C@H]2C[NH+](C/C=C\C[N@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915173 1222485978 /nfs/dbraw/zinc/48/59/78/1222485978.db2.gz BEMFOJUURMBYDZ-PEPYXVNMSA-N 2 1 364.446 0.403 20 0 FCADMP O=C1N[C@H]2C[N@H+](C/C=C\C[NH+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915173 1222485980 /nfs/dbraw/zinc/48/59/80/1222485980.db2.gz BEMFOJUURMBYDZ-PEPYXVNMSA-N 2 1 364.446 0.403 20 0 FCADMP O=C1N[C@H]2C[N@@H+](C/C=C\C[NH+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915173 1222485982 /nfs/dbraw/zinc/48/59/82/1222485982.db2.gz BEMFOJUURMBYDZ-PEPYXVNMSA-N 2 1 364.446 0.403 20 0 FCADMP CNc1ncccc1C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001138690938 1222521134 /nfs/dbraw/zinc/52/11/34/1222521134.db2.gz ZZWHVYWIOULYRP-UHFFFAOYSA-N 2 1 358.446 0.961 20 0 FCADMP CNc1ncccc1C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001138690938 1222521138 /nfs/dbraw/zinc/52/11/38/1222521138.db2.gz ZZWHVYWIOULYRP-UHFFFAOYSA-N 2 1 358.446 0.961 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@@H]1C ZINC000834536701 1222578303 /nfs/dbraw/zinc/57/83/03/1222578303.db2.gz OJJYJIKDLDNEBQ-CALCHBBNSA-N 2 1 368.522 0.546 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@@H]1C ZINC000834536701 1222578308 /nfs/dbraw/zinc/57/83/08/1222578308.db2.gz OJJYJIKDLDNEBQ-CALCHBBNSA-N 2 1 368.522 0.546 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000834782916 1222589505 /nfs/dbraw/zinc/58/95/05/1222589505.db2.gz WTLZIOAJWPAXCU-OWCLPIDISA-N 2 1 370.538 0.647 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000834782916 1222589508 /nfs/dbraw/zinc/58/95/08/1222589508.db2.gz WTLZIOAJWPAXCU-OWCLPIDISA-N 2 1 370.538 0.647 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000842195193 1222840063 /nfs/dbraw/zinc/84/00/63/1222840063.db2.gz IRONFKKUWJIIBC-HNNXBMFYSA-N 2 1 359.474 0.804 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1)N1CC[NH2+]CC1 ZINC000843047314 1222857465 /nfs/dbraw/zinc/85/74/65/1222857465.db2.gz QNQCZXTUCDYJMU-QGZVFWFLSA-N 2 1 354.458 0.911 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@@H]1C ZINC000843256168 1222865740 /nfs/dbraw/zinc/86/57/40/1222865740.db2.gz YETPVPAJUBIVHO-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@@H]1C ZINC000843256168 1222865745 /nfs/dbraw/zinc/86/57/45/1222865745.db2.gz YETPVPAJUBIVHO-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H]1C ZINC000843256168 1222865746 /nfs/dbraw/zinc/86/57/46/1222865746.db2.gz YETPVPAJUBIVHO-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H]1C ZINC000843256168 1222865748 /nfs/dbraw/zinc/86/57/48/1222865748.db2.gz YETPVPAJUBIVHO-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+](C)C[C@@]2(O)CCc3ccccc32)C1=O ZINC000843270677 1222868714 /nfs/dbraw/zinc/86/87/14/1222868714.db2.gz XRFTUHUYDNCKSJ-XLIONFOSSA-N 2 1 359.470 0.831 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+](C)C[C@@]2(O)CCc3ccccc32)C1=O ZINC000843270677 1222868715 /nfs/dbraw/zinc/86/87/15/1222868715.db2.gz XRFTUHUYDNCKSJ-XLIONFOSSA-N 2 1 359.470 0.831 20 0 FCADMP CN1CC[NH+](CCC(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)CC1 ZINC001143237332 1222872689 /nfs/dbraw/zinc/87/26/89/1222872689.db2.gz KGTUTRKDDSDVFF-UHFFFAOYSA-N 2 1 374.489 0.387 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733563 1222888794 /nfs/dbraw/zinc/88/87/94/1222888794.db2.gz ISESUFKFOMHCGR-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733563 1222888795 /nfs/dbraw/zinc/88/87/95/1222888795.db2.gz ISESUFKFOMHCGR-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733563 1222888796 /nfs/dbraw/zinc/88/87/96/1222888796.db2.gz ISESUFKFOMHCGR-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733563 1222888799 /nfs/dbraw/zinc/88/87/99/1222888799.db2.gz ISESUFKFOMHCGR-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881064 1222890859 /nfs/dbraw/zinc/89/08/59/1222890859.db2.gz CMTZFZIYPNBRQQ-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881064 1222890861 /nfs/dbraw/zinc/89/08/61/1222890861.db2.gz CMTZFZIYPNBRQQ-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881064 1222890864 /nfs/dbraw/zinc/89/08/64/1222890864.db2.gz CMTZFZIYPNBRQQ-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881064 1222890865 /nfs/dbraw/zinc/89/08/65/1222890865.db2.gz CMTZFZIYPNBRQQ-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOCC3CC3)CCCO2)O1 ZINC001149881261 1222891143 /nfs/dbraw/zinc/89/11/43/1222891143.db2.gz JNCLMTWWEAGCSK-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOCC3CC3)CCCO2)O1 ZINC001149881261 1222891147 /nfs/dbraw/zinc/89/11/47/1222891147.db2.gz JNCLMTWWEAGCSK-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCOCC3CC3)CCCO2)O1 ZINC001149881261 1222891149 /nfs/dbraw/zinc/89/11/49/1222891149.db2.gz JNCLMTWWEAGCSK-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCOCC3CC3)CCCO2)O1 ZINC001149881261 1222891150 /nfs/dbraw/zinc/89/11/50/1222891150.db2.gz JNCLMTWWEAGCSK-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153780176 1222986117 /nfs/dbraw/zinc/98/61/17/1222986117.db2.gz DLKCCNXKPXBRRG-ZWKOTPCHSA-N 2 1 373.501 0.261 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001155165676 1223027866 /nfs/dbraw/zinc/02/78/66/1223027866.db2.gz PXGUZLBYMPFSLP-UHFFFAOYSA-N 2 1 372.510 0.406 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001155165676 1223027869 /nfs/dbraw/zinc/02/78/69/1223027869.db2.gz PXGUZLBYMPFSLP-UHFFFAOYSA-N 2 1 372.510 0.406 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001155384876 1223034355 /nfs/dbraw/zinc/03/43/55/1223034355.db2.gz XIQKOAINRSDRQE-KRWDZBQOSA-N 3 1 360.506 0.714 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001155384878 1223034424 /nfs/dbraw/zinc/03/44/24/1223034424.db2.gz XIQKOAINRSDRQE-QGZVFWFLSA-N 3 1 360.506 0.714 20 0 FCADMP C(Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001155515289 1223037644 /nfs/dbraw/zinc/03/76/44/1223037644.db2.gz BQYUUNMMPCCYMO-KSSFIOAISA-N 2 1 359.478 0.142 20 0 FCADMP C1C[C@]2(C[NH2+]1)C[C@H](Nc1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCO2 ZINC001155625721 1223040306 /nfs/dbraw/zinc/04/03/06/1223040306.db2.gz NASOMWWBYCTAMP-FZKQIMNGSA-N 2 1 360.462 0.239 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C ZINC001157083903 1223067135 /nfs/dbraw/zinc/06/71/35/1223067135.db2.gz WQPCCBFPKRCLAT-STQMWFEESA-N 2 1 368.434 0.320 20 0 FCADMP C[C@@H]1CCN(C(=O)c2ccc3nnc([C@H]4C[N@H+](C)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001157829044 1223082777 /nfs/dbraw/zinc/08/27/77/1223082777.db2.gz PJCSYRBEIZRGGQ-VNQPRFMTSA-N 2 1 371.489 0.457 20 0 FCADMP C[C@@H]1CCN(C(=O)c2ccc3nnc([C@H]4C[N@@H+](C)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001157829044 1223082781 /nfs/dbraw/zinc/08/27/81/1223082781.db2.gz PJCSYRBEIZRGGQ-VNQPRFMTSA-N 2 1 371.489 0.457 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959426 1223085306 /nfs/dbraw/zinc/08/53/06/1223085306.db2.gz BHVUKXXRLGKXDV-ROUUACIJSA-N 3 1 358.486 0.612 20 0 FCADMP C[N@@H+]1C[C@@H](C(=O)N2CCNC[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959426 1223085307 /nfs/dbraw/zinc/08/53/07/1223085307.db2.gz BHVUKXXRLGKXDV-ROUUACIJSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N2CCNC[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959426 1223085309 /nfs/dbraw/zinc/08/53/09/1223085309.db2.gz BHVUKXXRLGKXDV-ROUUACIJSA-N 2 1 358.486 0.612 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001157973476 1223085740 /nfs/dbraw/zinc/08/57/40/1223085740.db2.gz FHFNKADEKYBZNL-QLFBSQMISA-N 2 1 367.494 0.225 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001157973476 1223085744 /nfs/dbraw/zinc/08/57/44/1223085744.db2.gz FHFNKADEKYBZNL-QLFBSQMISA-N 2 1 367.494 0.225 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001157973476 1223085747 /nfs/dbraw/zinc/08/57/47/1223085747.db2.gz FHFNKADEKYBZNL-QLFBSQMISA-N 2 1 367.494 0.225 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001157973476 1223085750 /nfs/dbraw/zinc/08/57/50/1223085750.db2.gz FHFNKADEKYBZNL-QLFBSQMISA-N 2 1 367.494 0.225 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001158428497 1223097281 /nfs/dbraw/zinc/09/72/81/1223097281.db2.gz GPPFYXVPMYESTM-MGPQQGTHSA-N 2 1 369.510 0.435 20 0 FCADMP COCCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001158604928 1223102794 /nfs/dbraw/zinc/10/27/94/1223102794.db2.gz TYGRAJYJNISTSX-LJQANCHMSA-N 2 1 372.513 0.499 20 0 FCADMP COCCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001158604928 1223102797 /nfs/dbraw/zinc/10/27/97/1223102797.db2.gz TYGRAJYJNISTSX-LJQANCHMSA-N 2 1 372.513 0.499 20 0 FCADMP CN1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]21 ZINC001158804076 1223109965 /nfs/dbraw/zinc/10/99/65/1223109965.db2.gz KIWGRFUQHYJZDZ-OTWHNJEPSA-N 2 1 370.497 0.249 20 0 FCADMP CN1CCO[C@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]21 ZINC001158804076 1223109969 /nfs/dbraw/zinc/10/99/69/1223109969.db2.gz KIWGRFUQHYJZDZ-OTWHNJEPSA-N 2 1 370.497 0.249 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C ZINC000977810361 1248656188 /nfs/dbraw/zinc/65/61/88/1248656188.db2.gz QCIVKZJRXFSYQD-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2c[nH+]cc2C)CC[N@H+]1C ZINC000977810361 1248656201 /nfs/dbraw/zinc/65/62/01/1248656201.db2.gz QCIVKZJRXFSYQD-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159161359 1223119853 /nfs/dbraw/zinc/11/98/53/1223119853.db2.gz XVPLBTNYAUPILD-KRWDZBQOSA-N 2 1 362.522 0.581 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316760 1223124328 /nfs/dbraw/zinc/12/43/28/1223124328.db2.gz LZLSCHPOXNJMNF-PKRLLGJHSA-N 2 1 356.470 0.595 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC[C@@H]21 ZINC001159533410 1223129203 /nfs/dbraw/zinc/12/92/03/1223129203.db2.gz FTNRVCPMXHBCGB-ILOCAZANSA-N 2 1 361.490 0.306 20 0 FCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC001159535167 1223129485 /nfs/dbraw/zinc/12/94/85/1223129485.db2.gz SWMYGQGPKWFOLK-OWSLCNJRSA-N 2 1 361.490 0.571 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)CC[C@@H]21 ZINC001159535167 1223129487 /nfs/dbraw/zinc/12/94/87/1223129487.db2.gz SWMYGQGPKWFOLK-OWSLCNJRSA-N 2 1 361.490 0.571 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]2C ZINC001159633136 1223132021 /nfs/dbraw/zinc/13/20/21/1223132021.db2.gz GMRVPYHXTUKAPT-PBHICJAKSA-N 3 1 362.522 0.953 20 0 FCADMP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664492 1223133119 /nfs/dbraw/zinc/13/31/19/1223133119.db2.gz FJXVZWWBNJXECF-FJIDUMEYSA-N 2 1 362.449 0.973 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855038 1223138046 /nfs/dbraw/zinc/13/80/46/1223138046.db2.gz GZGMGNWVXZJYQX-FUHWJXTLSA-N 2 1 362.449 0.395 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001159966610 1223141520 /nfs/dbraw/zinc/14/15/20/1223141520.db2.gz HYQGWDKWTXWFEW-YQVWRLOYSA-N 2 1 362.474 0.672 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001160157412 1223147068 /nfs/dbraw/zinc/14/70/68/1223147068.db2.gz VKRMFWOEFOSSQG-UHFFFAOYSA-N 2 1 370.497 0.809 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001160424385 1223159000 /nfs/dbraw/zinc/15/90/00/1223159000.db2.gz SKVVLPSXUDZSMX-XFUTXVRSSA-N 2 1 357.502 0.687 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CCO1 ZINC001160644109 1223167569 /nfs/dbraw/zinc/16/75/69/1223167569.db2.gz SKVGXTCXHHXDTC-SVFBPWRDSA-N 3 1 372.513 0.674 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704529 1223169139 /nfs/dbraw/zinc/16/91/39/1223169139.db2.gz LLIYCSDZIBZLST-OTWHNJEPSA-N 2 1 354.498 0.728 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704529 1223169142 /nfs/dbraw/zinc/16/91/42/1223169142.db2.gz LLIYCSDZIBZLST-OTWHNJEPSA-N 3 1 354.498 0.728 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704529 1223169144 /nfs/dbraw/zinc/16/91/44/1223169144.db2.gz LLIYCSDZIBZLST-OTWHNJEPSA-N 3 1 354.498 0.728 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704529 1223169146 /nfs/dbraw/zinc/16/91/46/1223169146.db2.gz LLIYCSDZIBZLST-OTWHNJEPSA-N 3 1 354.498 0.728 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704529 1223169149 /nfs/dbraw/zinc/16/91/49/1223169149.db2.gz LLIYCSDZIBZLST-OTWHNJEPSA-N 3 1 354.498 0.728 20 0 FCADMP O=C(c1cccnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC001160726127 1223170323 /nfs/dbraw/zinc/17/03/23/1223170323.db2.gz RXJKKKOGCFYYPA-DLBZAZTESA-N 2 1 359.474 0.792 20 0 FCADMP CCCCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857104 1223177904 /nfs/dbraw/zinc/17/79/04/1223177904.db2.gz DRYDLTPVHIGWCX-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857104 1223177906 /nfs/dbraw/zinc/17/79/06/1223177906.db2.gz DRYDLTPVHIGWCX-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001160857962 1223178305 /nfs/dbraw/zinc/17/83/05/1223178305.db2.gz UMDPEQLIDQPVIX-IIAWOOMASA-N 2 1 366.462 0.099 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001160857962 1223178307 /nfs/dbraw/zinc/17/83/07/1223178307.db2.gz UMDPEQLIDQPVIX-IIAWOOMASA-N 2 1 366.462 0.099 20 0 FCADMP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160940815 1223181239 /nfs/dbraw/zinc/18/12/39/1223181239.db2.gz GXEGAGSPSHAZRA-DOTOQJQBSA-N 2 1 356.470 0.397 20 0 FCADMP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160940815 1223181241 /nfs/dbraw/zinc/18/12/41/1223181241.db2.gz GXEGAGSPSHAZRA-DOTOQJQBSA-N 2 1 356.470 0.397 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999784 1223182469 /nfs/dbraw/zinc/18/24/69/1223182469.db2.gz KPXDOBMCKVQQQU-MOPGFXCFSA-N 2 1 372.513 0.566 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999784 1223182471 /nfs/dbraw/zinc/18/24/71/1223182471.db2.gz KPXDOBMCKVQQQU-MOPGFXCFSA-N 2 1 372.513 0.566 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4C[N@H+](C)CCN4C)n3c2)CC[NH2+]1 ZINC001161023269 1223183531 /nfs/dbraw/zinc/18/35/31/1223183531.db2.gz GMPPSDUTPJQWBU-UKRRQHHQSA-N 2 1 357.462 0.082 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4C[N@@H+](C)CCN4C)n3c2)CC[NH2+]1 ZINC001161023269 1223183535 /nfs/dbraw/zinc/18/35/35/1223183535.db2.gz GMPPSDUTPJQWBU-UKRRQHHQSA-N 2 1 357.462 0.082 20 0 FCADMP Nc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)nc1 ZINC001161201059 1223190012 /nfs/dbraw/zinc/19/00/12/1223190012.db2.gz JJHNSSMZWXWLLF-UHFFFAOYSA-N 2 1 361.490 0.828 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001161253639 1223192982 /nfs/dbraw/zinc/19/29/82/1223192982.db2.gz WEPLIOWXIVUZAK-HZPDHXFCSA-N 2 1 359.474 0.750 20 0 FCADMP [NH3+][C@H]1CC[C@H](N(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C2COC2)CC1 ZINC001161281527 1223193928 /nfs/dbraw/zinc/19/39/28/1223193928.db2.gz RMWNCHPTRPEJOM-HDJSIYSDSA-N 2 1 374.489 0.392 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001161445047 1223199564 /nfs/dbraw/zinc/19/95/64/1223199564.db2.gz MOGBBDTWSSFZJA-HKUYNNGSSA-N 4 1 365.566 0.593 20 0 FCADMP C1C[C@H](N2CCC(Nc3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C[NH2+]1 ZINC001161470982 1223200263 /nfs/dbraw/zinc/20/02/63/1223200263.db2.gz WXAUODUSPKRVOU-HNNXBMFYSA-N 2 1 373.505 0.155 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001161809880 1223208364 /nfs/dbraw/zinc/20/83/64/1223208364.db2.gz GUKHYRDEBCJMCK-UHFFFAOYSA-N 2 1 363.506 0.885 20 0 FCADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCC(=O)N1CCOCC1 ZINC001161974652 1223209535 /nfs/dbraw/zinc/20/95/35/1223209535.db2.gz YZPXSTHQPWUWRZ-UHFFFAOYSA-N 2 1 362.478 0.621 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+]([C@@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001162275600 1223212770 /nfs/dbraw/zinc/21/27/70/1223212770.db2.gz ZMUGRQULHJRCNV-HRCADAONSA-N 2 1 368.522 0.435 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1nccc1C[NH3+] ZINC001162590871 1223217974 /nfs/dbraw/zinc/21/79/74/1223217974.db2.gz GNPXGKIIDWYXGF-ZDUSSCGKSA-N 2 1 361.446 0.832 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001162730578 1223219164 /nfs/dbraw/zinc/21/91/64/1223219164.db2.gz OPOILWNFNDRDBY-HNNXBMFYSA-N 3 1 364.494 0.947 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(NCC[C@H]3CCOC34C[NH2+]C4)c2)CC1 ZINC001163081682 1223225456 /nfs/dbraw/zinc/22/54/56/1223225456.db2.gz NFRNTVUKCKDEGP-INIZCTEOSA-N 2 1 359.474 0.650 20 0 FCADMP O=c1cc(CNc2cc(N3CCOCC3)cc[nH+]2)nc2n1CCC[NH2+]C2 ZINC001163111293 1223226139 /nfs/dbraw/zinc/22/61/39/1223226139.db2.gz AJIFIBIGAODNRI-UHFFFAOYSA-N 2 1 356.430 0.580 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582014 1223240092 /nfs/dbraw/zinc/24/00/92/1223240092.db2.gz BYMQEXIMWXNKKS-ZIAGYGMSSA-N 2 1 367.494 0.048 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCCN(c4ncccn4)CC3)n2)CC1 ZINC001166819127 1223287816 /nfs/dbraw/zinc/28/78/16/1223287816.db2.gz RAZIJSWMKFJVAP-UHFFFAOYSA-N 2 1 354.462 0.911 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205448976 1223324009 /nfs/dbraw/zinc/32/40/09/1223324009.db2.gz NTBXMXFWUXUZKH-DLBZAZTESA-N 2 1 364.465 0.798 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N(C)C3CC3)CC2)O1 ZINC001205516160 1223329657 /nfs/dbraw/zinc/32/96/57/1223329657.db2.gz RBJMKCNSPREEAU-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N(C)C3CC3)CC2)O1 ZINC001205516160 1223329660 /nfs/dbraw/zinc/32/96/60/1223329660.db2.gz RBJMKCNSPREEAU-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518551 1223330330 /nfs/dbraw/zinc/33/03/30/1223330330.db2.gz CDJDBUBTMLUXPA-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518551 1223330332 /nfs/dbraw/zinc/33/03/32/1223330332.db2.gz CDJDBUBTMLUXPA-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519653 1223330712 /nfs/dbraw/zinc/33/07/12/1223330712.db2.gz YREYAVNCLPMZKK-FGTMMUONSA-N 2 1 365.518 0.914 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955145 1223394405 /nfs/dbraw/zinc/39/44/05/1223394405.db2.gz LTBFXJKWCSKWSF-KBAYOESNSA-N 2 1 368.522 0.448 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955145 1223394406 /nfs/dbraw/zinc/39/44/06/1223394406.db2.gz LTBFXJKWCSKWSF-KBAYOESNSA-N 2 1 368.522 0.448 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955145 1223394407 /nfs/dbraw/zinc/39/44/07/1223394407.db2.gz LTBFXJKWCSKWSF-KBAYOESNSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC1 ZINC001207398171 1223443122 /nfs/dbraw/zinc/44/31/22/1223443122.db2.gz YVHMOWLYVFHXLZ-QUCCMNQESA-N 2 1 365.518 0.916 20 0 FCADMP O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436394 1223446791 /nfs/dbraw/zinc/44/67/91/1223446791.db2.gz BBTWJTJRFPYQRU-JQHSSLGASA-N 2 1 359.474 0.685 20 0 FCADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435004 1223446859 /nfs/dbraw/zinc/44/68/59/1223446859.db2.gz CSCRHDIKIDUNFA-UHFFFAOYSA-N 2 1 360.506 0.165 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21)c1cnccn1 ZINC001207437795 1223446898 /nfs/dbraw/zinc/44/68/98/1223446898.db2.gz ZXXTXSNLKWGYON-XYJFISCASA-N 2 1 359.474 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001208070069 1223513035 /nfs/dbraw/zinc/51/30/35/1223513035.db2.gz CHLJTENEHWUACK-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001208074330 1223513908 /nfs/dbraw/zinc/51/39/08/1223513908.db2.gz WCMNPWKFGQJYKA-OKZBNKHCSA-N 2 1 368.522 0.450 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001208411185 1223542175 /nfs/dbraw/zinc/54/21/75/1223542175.db2.gz ONBUCTLIPSJLFK-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001208411185 1223542181 /nfs/dbraw/zinc/54/21/81/1223542181.db2.gz ONBUCTLIPSJLFK-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001208411184 1223542502 /nfs/dbraw/zinc/54/25/02/1223542502.db2.gz ONBUCTLIPSJLFK-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001208411184 1223542505 /nfs/dbraw/zinc/54/25/05/1223542505.db2.gz ONBUCTLIPSJLFK-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425716 1223544610 /nfs/dbraw/zinc/54/46/10/1223544610.db2.gz UQXQVRRUJIJDBY-GDBMZVCRSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425716 1223544613 /nfs/dbraw/zinc/54/46/13/1223544613.db2.gz UQXQVRRUJIJDBY-GDBMZVCRSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001208495852 1223550991 /nfs/dbraw/zinc/55/09/91/1223550991.db2.gz ACKSLDQBZWXOMI-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001208495852 1223550994 /nfs/dbraw/zinc/55/09/94/1223550994.db2.gz ACKSLDQBZWXOMI-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208496349 1223551148 /nfs/dbraw/zinc/55/11/48/1223551148.db2.gz QFIICAJOJLGHFT-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208496349 1223551152 /nfs/dbraw/zinc/55/11/52/1223551152.db2.gz QFIICAJOJLGHFT-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604149 1223561786 /nfs/dbraw/zinc/56/17/86/1223561786.db2.gz BYJRGDSDXYFEAV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604149 1223561791 /nfs/dbraw/zinc/56/17/91/1223561791.db2.gz BYJRGDSDXYFEAV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604149 1223561796 /nfs/dbraw/zinc/56/17/96/1223561796.db2.gz BYJRGDSDXYFEAV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604149 1223561798 /nfs/dbraw/zinc/56/17/98/1223561798.db2.gz BYJRGDSDXYFEAV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613802 1223563190 /nfs/dbraw/zinc/56/31/90/1223563190.db2.gz QHXDQCIJPIBCLV-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613802 1223563192 /nfs/dbraw/zinc/56/31/92/1223563192.db2.gz QHXDQCIJPIBCLV-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613802 1223563195 /nfs/dbraw/zinc/56/31/95/1223563195.db2.gz QHXDQCIJPIBCLV-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613802 1223563197 /nfs/dbraw/zinc/56/31/97/1223563197.db2.gz QHXDQCIJPIBCLV-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611464 1223563446 /nfs/dbraw/zinc/56/34/46/1223563446.db2.gz DJMFLYQLQOLYLQ-GOSISDBHSA-N 3 1 365.566 0.498 20 0 FCADMP CN1CCC[C@@H](C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001208611464 1223563452 /nfs/dbraw/zinc/56/34/52/1223563452.db2.gz DJMFLYQLQOLYLQ-GOSISDBHSA-N 2 1 365.566 0.498 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611963 1223564099 /nfs/dbraw/zinc/56/40/99/1223564099.db2.gz YVVHSLNAPFUSEV-ROUUACIJSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611963 1223564106 /nfs/dbraw/zinc/56/41/06/1223564106.db2.gz YVVHSLNAPFUSEV-ROUUACIJSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611963 1223564114 /nfs/dbraw/zinc/56/41/14/1223564114.db2.gz YVVHSLNAPFUSEV-ROUUACIJSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208675804 1223569576 /nfs/dbraw/zinc/56/95/76/1223569576.db2.gz HDGWBBWBFRYJGQ-IEBWSBKVSA-N 2 1 363.502 0.606 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208675804 1223569582 /nfs/dbraw/zinc/56/95/82/1223569582.db2.gz HDGWBBWBFRYJGQ-IEBWSBKVSA-N 2 1 363.502 0.606 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001208675804 1223569590 /nfs/dbraw/zinc/56/95/90/1223569590.db2.gz HDGWBBWBFRYJGQ-IEBWSBKVSA-N 2 1 363.502 0.606 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001208675804 1223569593 /nfs/dbraw/zinc/56/95/93/1223569593.db2.gz HDGWBBWBFRYJGQ-IEBWSBKVSA-N 2 1 363.502 0.606 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739457 1223574951 /nfs/dbraw/zinc/57/49/51/1223574951.db2.gz UWQDQQBNNHNRIQ-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739457 1223574954 /nfs/dbraw/zinc/57/49/54/1223574954.db2.gz UWQDQQBNNHNRIQ-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCCCC(N)=O)C2)C1 ZINC001276608347 1223592165 /nfs/dbraw/zinc/59/21/65/1223592165.db2.gz CMCVVDLXLVMLCY-IBGZPJMESA-N 2 1 368.522 0.535 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCCCCC(N)=O)C2)C1 ZINC001276608347 1223592167 /nfs/dbraw/zinc/59/21/67/1223592167.db2.gz CMCVVDLXLVMLCY-IBGZPJMESA-N 2 1 368.522 0.535 20 0 FCADMP CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630205 1223608521 /nfs/dbraw/zinc/60/85/21/1223608521.db2.gz MGLRCGRLTSTMKL-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001209506117 1223625501 /nfs/dbraw/zinc/62/55/01/1223625501.db2.gz FJAOTAZWUYBTCD-SJLPKXTDSA-N 2 1 363.506 0.604 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001209506117 1223625502 /nfs/dbraw/zinc/62/55/02/1223625502.db2.gz FJAOTAZWUYBTCD-SJLPKXTDSA-N 2 1 363.506 0.604 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515308 1223627032 /nfs/dbraw/zinc/62/70/32/1223627032.db2.gz UXWCIIMTVSZOHZ-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515308 1223627033 /nfs/dbraw/zinc/62/70/33/1223627033.db2.gz UXWCIIMTVSZOHZ-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576327 1223631981 /nfs/dbraw/zinc/63/19/81/1223631981.db2.gz DPTBUDOAZYOQPT-RBSFLKMASA-N 2 1 369.510 0.518 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576327 1223631987 /nfs/dbraw/zinc/63/19/87/1223631987.db2.gz DPTBUDOAZYOQPT-RBSFLKMASA-N 2 1 369.510 0.518 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576327 1223631989 /nfs/dbraw/zinc/63/19/89/1223631989.db2.gz DPTBUDOAZYOQPT-RBSFLKMASA-N 2 1 369.510 0.518 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576327 1223631992 /nfs/dbraw/zinc/63/19/92/1223631992.db2.gz DPTBUDOAZYOQPT-RBSFLKMASA-N 2 1 369.510 0.518 20 0 FCADMP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001209730714 1223644491 /nfs/dbraw/zinc/64/44/91/1223644491.db2.gz NVMXXMFDMUSCFT-OAHLLOKOSA-N 2 1 360.458 0.724 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+](Cc4c[nH+]ccc4N)CC[C@@H]32)cn1 ZINC001209731107 1223644937 /nfs/dbraw/zinc/64/49/37/1223644937.db2.gz VEJCJIOKGBZNAM-XYJFISCASA-N 2 1 370.457 0.495 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@@H+](Cc4c[nH+]ccc4N)CC[C@@H]32)cn1 ZINC001209731107 1223644941 /nfs/dbraw/zinc/64/49/41/1223644941.db2.gz VEJCJIOKGBZNAM-XYJFISCASA-N 2 1 370.457 0.495 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209770144 1223648992 /nfs/dbraw/zinc/64/89/92/1223648992.db2.gz ZAVBEDMGOXUGAQ-KBRIMQKVSA-N 2 1 359.430 0.325 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209770144 1223648998 /nfs/dbraw/zinc/64/89/98/1223648998.db2.gz ZAVBEDMGOXUGAQ-KBRIMQKVSA-N 2 1 359.430 0.325 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031317 1223719840 /nfs/dbraw/zinc/71/98/40/1223719840.db2.gz BPWWFJZACZZXTL-ZHALLVOQSA-N 2 1 361.486 0.959 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211032311 1223720085 /nfs/dbraw/zinc/72/00/85/1223720085.db2.gz YUTDBKXOSDYUJV-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211032311 1223720086 /nfs/dbraw/zinc/72/00/86/1223720086.db2.gz YUTDBKXOSDYUJV-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211032311 1223720089 /nfs/dbraw/zinc/72/00/89/1223720089.db2.gz YUTDBKXOSDYUJV-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211032311 1223720091 /nfs/dbraw/zinc/72/00/91/1223720091.db2.gz YUTDBKXOSDYUJV-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211038044 1223721018 /nfs/dbraw/zinc/72/10/18/1223721018.db2.gz BMJCDAKODCUEKH-SOLBZPMBSA-N 2 1 365.474 0.689 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211038044 1223721021 /nfs/dbraw/zinc/72/10/21/1223721021.db2.gz BMJCDAKODCUEKH-SOLBZPMBSA-N 2 1 365.474 0.689 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276693905 1223723313 /nfs/dbraw/zinc/72/33/13/1223723313.db2.gz OUMQNBBOJVPQKE-CRAIPNDOSA-N 2 1 362.430 0.177 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094527 1223725801 /nfs/dbraw/zinc/72/58/01/1223725801.db2.gz DNCWOFJVCQGCQL-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094527 1223725802 /nfs/dbraw/zinc/72/58/02/1223725802.db2.gz DNCWOFJVCQGCQL-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299905 1223733130 /nfs/dbraw/zinc/73/31/30/1223733130.db2.gz BHOGXRQWSVPIPE-HZPDHXFCSA-N 2 1 364.490 0.448 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309333 1223734654 /nfs/dbraw/zinc/73/46/54/1223734654.db2.gz AJUMWMYPRWGBCU-FGTMMUONSA-N 2 1 371.522 0.323 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349943 1223736571 /nfs/dbraw/zinc/73/65/71/1223736571.db2.gz KYUNRXVWMNYLSD-FGTMMUONSA-N 2 1 371.522 0.323 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366821 1223737698 /nfs/dbraw/zinc/73/76/98/1223737698.db2.gz KNOBTYOAHPFZIG-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366821 1223737700 /nfs/dbraw/zinc/73/77/00/1223737700.db2.gz KNOBTYOAHPFZIG-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366821 1223737702 /nfs/dbraw/zinc/73/77/02/1223737702.db2.gz KNOBTYOAHPFZIG-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221534 1223770985 /nfs/dbraw/zinc/77/09/85/1223770985.db2.gz HGOPJFNVYFXAQG-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221534 1223770986 /nfs/dbraw/zinc/77/09/86/1223770986.db2.gz HGOPJFNVYFXAQG-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336298 1223786946 /nfs/dbraw/zinc/78/69/46/1223786946.db2.gz VTSVPCXOZCXABY-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336298 1223786947 /nfs/dbraw/zinc/78/69/47/1223786947.db2.gz VTSVPCXOZCXABY-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342271 1223788033 /nfs/dbraw/zinc/78/80/33/1223788033.db2.gz PHCXKDXQGMPPFM-ARFHVFGLSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342271 1223788035 /nfs/dbraw/zinc/78/80/35/1223788035.db2.gz PHCXKDXQGMPPFM-ARFHVFGLSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342375 1223788666 /nfs/dbraw/zinc/78/86/66/1223788666.db2.gz UJUFPJBQDHRIFO-GVDBMIGSSA-N 2 1 371.522 0.177 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342485 1223788923 /nfs/dbraw/zinc/78/89/23/1223788923.db2.gz ZZXBUZAUSPMLTF-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440503 1223798594 /nfs/dbraw/zinc/79/85/94/1223798594.db2.gz RMTWUOSZNJPDQP-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440503 1223798597 /nfs/dbraw/zinc/79/85/97/1223798597.db2.gz RMTWUOSZNJPDQP-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC)[NH+](C)C ZINC001213455964 1223801303 /nfs/dbraw/zinc/80/13/03/1223801303.db2.gz WOWOIUCMYJEPIU-IXDOHACOSA-N 2 1 363.506 0.803 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC)[NH+](C)C ZINC001213455964 1223801306 /nfs/dbraw/zinc/80/13/06/1223801306.db2.gz WOWOIUCMYJEPIU-IXDOHACOSA-N 2 1 363.506 0.803 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555457 1223813171 /nfs/dbraw/zinc/81/31/71/1223813171.db2.gz NCCJISORSGEZPJ-IAGOWNOFSA-N 2 1 367.494 0.300 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576551 1223816131 /nfs/dbraw/zinc/81/61/31/1223816131.db2.gz QDXXQCKMVRTAHM-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576551 1223816133 /nfs/dbraw/zinc/81/61/33/1223816133.db2.gz QDXXQCKMVRTAHM-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576551 1223816134 /nfs/dbraw/zinc/81/61/34/1223816134.db2.gz QDXXQCKMVRTAHM-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213676252 1223831320 /nfs/dbraw/zinc/83/13/20/1223831320.db2.gz XOGWOFKQNTXVBH-HUUCEWRRSA-N 2 1 371.526 0.241 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213676252 1223831322 /nfs/dbraw/zinc/83/13/22/1223831322.db2.gz XOGWOFKQNTXVBH-HUUCEWRRSA-N 2 1 371.526 0.241 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213676252 1223831323 /nfs/dbraw/zinc/83/13/23/1223831323.db2.gz XOGWOFKQNTXVBH-HUUCEWRRSA-N 2 1 371.526 0.241 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213676252 1223831326 /nfs/dbraw/zinc/83/13/26/1223831326.db2.gz XOGWOFKQNTXVBH-HUUCEWRRSA-N 2 1 371.526 0.241 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747695 1223843138 /nfs/dbraw/zinc/84/31/38/1223843138.db2.gz OLXOOHGBLHXLNE-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974265 1223880048 /nfs/dbraw/zinc/88/00/48/1223880048.db2.gz PQGLRKWJGPQUEU-QZTJIDSGSA-N 2 1 363.506 0.965 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214338381 1223902003 /nfs/dbraw/zinc/90/20/03/1223902003.db2.gz PPELEIFXAFPWJE-KFWWJZLASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001214343689 1223902642 /nfs/dbraw/zinc/90/26/42/1223902642.db2.gz CKXPMWDCVWURTL-XYPHTWIQSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001214344282 1223902680 /nfs/dbraw/zinc/90/26/80/1223902680.db2.gz QVSAZZULOMYIMU-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001214344283 1223902878 /nfs/dbraw/zinc/90/28/78/1223902878.db2.gz QVSAZZULOMYIMU-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214598697 1223925050 /nfs/dbraw/zinc/92/50/50/1223925050.db2.gz ZQQNMTWZNUISPT-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214779902 1223941760 /nfs/dbraw/zinc/94/17/60/1223941760.db2.gz CQTVMUUXZRYDIL-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855796 1223948438 /nfs/dbraw/zinc/94/84/38/1223948438.db2.gz OBWBZCQPVAPWET-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214856014 1223948475 /nfs/dbraw/zinc/94/84/75/1223948475.db2.gz URANZOMAEQVUKD-FVQBIDKESA-N 2 1 359.474 0.818 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392968 1223995842 /nfs/dbraw/zinc/99/58/42/1223995842.db2.gz IQFAOHFESHPQQX-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392968 1223995845 /nfs/dbraw/zinc/99/58/45/1223995845.db2.gz IQFAOHFESHPQQX-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncn2C)C1)[NH+]1CCCC1 ZINC001215598663 1224008696 /nfs/dbraw/zinc/00/86/96/1224008696.db2.gz GBUWQWBMAJWYIU-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774402 1224017504 /nfs/dbraw/zinc/01/75/04/1224017504.db2.gz OCTWNYIULRKECO-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001215929299 1224025008 /nfs/dbraw/zinc/02/50/08/1224025008.db2.gz DTFBNQSRECCTPV-GDBMZVCRSA-N 2 1 365.478 0.469 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930363 1224025324 /nfs/dbraw/zinc/02/53/24/1224025324.db2.gz ZYUZKAZJEYVUMU-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938501 1224025621 /nfs/dbraw/zinc/02/56/21/1224025621.db2.gz CCTQCSXPKMAEQM-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384111 1224047836 /nfs/dbraw/zinc/04/78/36/1224047836.db2.gz YGBPRRGGDXVEHG-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001216402004 1224048611 /nfs/dbraw/zinc/04/86/11/1224048611.db2.gz RQTNKPPQODRXPQ-RHSMWYFYSA-N 2 1 364.494 0.203 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001216801296 1224073701 /nfs/dbraw/zinc/07/37/01/1224073701.db2.gz LAQGTQHDEDIYPA-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001216801296 1224073704 /nfs/dbraw/zinc/07/37/04/1224073704.db2.gz LAQGTQHDEDIYPA-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001216845134 1224078402 /nfs/dbraw/zinc/07/84/02/1224078402.db2.gz YTAQOODYPNBCPV-RBSFLKMASA-N 2 1 363.462 0.924 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978356888 1248732092 /nfs/dbraw/zinc/73/20/92/1248732092.db2.gz PPSVXWXSTWIWCP-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978356888 1248732103 /nfs/dbraw/zinc/73/21/03/1248732103.db2.gz PPSVXWXSTWIWCP-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978356888 1248732108 /nfs/dbraw/zinc/73/21/08/1248732108.db2.gz PPSVXWXSTWIWCP-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978356888 1248732119 /nfs/dbraw/zinc/73/21/19/1248732119.db2.gz PPSVXWXSTWIWCP-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993436188 1249535315 /nfs/dbraw/zinc/53/53/15/1249535315.db2.gz GLFIATVKIAOHCQ-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCN1C ZINC000823783888 1245321012 /nfs/dbraw/zinc/32/10/12/1245321012.db2.gz DBAGCVWDTGBOGG-XKGZKEIXSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000823783888 1245321014 /nfs/dbraw/zinc/32/10/14/1245321014.db2.gz DBAGCVWDTGBOGG-XKGZKEIXSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000823783888 1245321017 /nfs/dbraw/zinc/32/10/17/1245321017.db2.gz DBAGCVWDTGBOGG-XKGZKEIXSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)CC[N@H+]1C ZINC000994083881 1250183655 /nfs/dbraw/zinc/18/36/55/1250183655.db2.gz ISMNSJZNCMHLEH-JOCBIADPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)CC[N@H+]1C ZINC000994092325 1250187453 /nfs/dbraw/zinc/18/74/53/1250187453.db2.gz OJRGMIORJRILKU-QBPKDAKJSA-N 2 1 362.518 0.633 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891464463 1245450952 /nfs/dbraw/zinc/45/09/52/1245450952.db2.gz MBGRTGFPEPGWJC-CALCHBBNSA-N 2 1 358.490 0.740 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505201 1245501839 /nfs/dbraw/zinc/50/18/39/1245501839.db2.gz RBSPPEFXFDDPOU-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C[C@H](C)O1 ZINC000911518011 1245504350 /nfs/dbraw/zinc/50/43/50/1245504350.db2.gz ZYBLVZXHGKJTRX-LTCOOKNTSA-N 2 1 374.485 0.343 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000922342412 1245668931 /nfs/dbraw/zinc/66/89/31/1245668931.db2.gz ZVWBJIVFSVOFRF-GUDVDZBRSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000922342412 1245668938 /nfs/dbraw/zinc/66/89/38/1245668938.db2.gz ZVWBJIVFSVOFRF-GUDVDZBRSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000922342412 1245668944 /nfs/dbraw/zinc/66/89/44/1245668944.db2.gz ZVWBJIVFSVOFRF-GUDVDZBRSA-N 2 1 364.534 0.916 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282341 1245705912 /nfs/dbraw/zinc/70/59/12/1245705912.db2.gz NQLQMURXGHSPFN-CVEARBPZSA-N 2 1 365.449 0.709 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923379114 1245712346 /nfs/dbraw/zinc/71/23/46/1245712346.db2.gz XTEMDINHGKHLNC-QRQLOZEOSA-N 2 1 374.485 0.646 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000938870100 1245942834 /nfs/dbraw/zinc/94/28/34/1245942834.db2.gz VBPLLHRPWWYUBO-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000938870100 1245942838 /nfs/dbraw/zinc/94/28/38/1245942838.db2.gz VBPLLHRPWWYUBO-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000941272374 1246536290 /nfs/dbraw/zinc/53/62/90/1246536290.db2.gz VDFMZHUORVFFFM-BZUAXINKSA-N 2 1 361.490 0.984 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943058995 1247251181 /nfs/dbraw/zinc/25/11/81/1247251181.db2.gz RZBPJOVLIJJMQG-IXDOHACOSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943592039 1247363951 /nfs/dbraw/zinc/36/39/51/1247363951.db2.gz ULVGBOIYPBOANC-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1)NC1CC1 ZINC000946631329 1247926842 /nfs/dbraw/zinc/92/68/42/1247926842.db2.gz BMXOMEZUDKNVCS-YALNPMBYSA-N 2 1 371.485 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1C ZINC000976832850 1248421499 /nfs/dbraw/zinc/42/14/99/1248421499.db2.gz QOAUQBKCIYATOU-FUEZWAHWSA-N 2 1 367.453 0.861 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000996540510 1251374888 /nfs/dbraw/zinc/37/48/88/1251374888.db2.gz ZDVJWVCYBFDRRZ-DEICHXMPSA-N 2 1 371.485 0.961 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnn(C(C)(C)C)n3)CC2)CC[N@@H+]1C ZINC000996607352 1251403297 /nfs/dbraw/zinc/40/32/97/1251403297.db2.gz NCQZRGHLMFCBSA-UKRRQHHQSA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnn(C(C)(C)C)n3)CC2)CC[N@H+]1C ZINC000996607352 1251403300 /nfs/dbraw/zinc/40/33/00/1251403300.db2.gz NCQZRGHLMFCBSA-UKRRQHHQSA-N 2 1 363.510 0.849 20 0 FCADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)c1 ZINC000996710946 1251419847 /nfs/dbraw/zinc/41/98/47/1251419847.db2.gz HSJQGQUREBFZBP-RDTXWAMCSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)c1 ZINC000996710946 1251419853 /nfs/dbraw/zinc/41/98/53/1251419853.db2.gz HSJQGQUREBFZBP-RDTXWAMCSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH+]3CCN(CCCO)CC3)CC2)CC[N@H+]1C ZINC000996774916 1251428548 /nfs/dbraw/zinc/42/85/48/1251428548.db2.gz BPGVLVCQJZDQHY-LWSMDNFKSA-N 2 1 366.550 0.754 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000997082084 1251491172 /nfs/dbraw/zinc/49/11/72/1251491172.db2.gz HIYBNSIQIAOXCJ-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000997082084 1251491177 /nfs/dbraw/zinc/49/11/77/1251491177.db2.gz HIYBNSIQIAOXCJ-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997170562 1251502389 /nfs/dbraw/zinc/50/23/89/1251502389.db2.gz MCKKZRIXTCOQNK-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997170562 1251502395 /nfs/dbraw/zinc/50/23/95/1251502395.db2.gz MCKKZRIXTCOQNK-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000997859762 1251726926 /nfs/dbraw/zinc/72/69/26/1251726926.db2.gz MCKJFSBNYXKAMS-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000997859762 1251726934 /nfs/dbraw/zinc/72/69/34/1251726934.db2.gz MCKJFSBNYXKAMS-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998649339 1251941212 /nfs/dbraw/zinc/94/12/12/1251941212.db2.gz KXAPDRLEXXKGEV-LTIDMASMSA-N 2 1 360.502 0.815 20 0 FCADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998988624 1252017104 /nfs/dbraw/zinc/01/71/04/1252017104.db2.gz WZMIHORNPCPQEI-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998988624 1252017113 /nfs/dbraw/zinc/01/71/13/1252017113.db2.gz WZMIHORNPCPQEI-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC001002247402 1252489464 /nfs/dbraw/zinc/48/94/64/1252489464.db2.gz KHFJCJMRZHAGQJ-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001002832940 1252695658 /nfs/dbraw/zinc/69/56/58/1252695658.db2.gz BATALAKECHSAQR-CBZIJGRNSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003140542 1252790352 /nfs/dbraw/zinc/79/03/52/1252790352.db2.gz RZJJSWQRRQQOHK-CZUORRHYSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003140542 1252790356 /nfs/dbraw/zinc/79/03/56/1252790356.db2.gz RZJJSWQRRQQOHK-CZUORRHYSA-N 2 1 365.478 0.610 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001003793354 1253110120 /nfs/dbraw/zinc/11/01/20/1253110120.db2.gz NBOVWLGTSKVMQQ-DJIMGWMZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001003793354 1253110133 /nfs/dbraw/zinc/11/01/33/1253110133.db2.gz NBOVWLGTSKVMQQ-DJIMGWMZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001003793354 1253110140 /nfs/dbraw/zinc/11/01/40/1253110140.db2.gz NBOVWLGTSKVMQQ-DJIMGWMZSA-N 2 1 366.506 0.010 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004400234 1253313778 /nfs/dbraw/zinc/31/37/78/1253313778.db2.gz QYBQNFRNURYFSD-OAGGEKHMSA-N 2 1 357.458 0.535 20 0 FCADMP Cc1[nH+]ccn1CCc1nnc(N2CCC([NH+]3CCN(C)CC3)CC2)n1C ZINC001519466343 1265722526 /nfs/dbraw/zinc/72/25/26/1265722526.db2.gz TZWFWRVKHQAPHT-UHFFFAOYSA-N 2 1 372.521 0.779 20 0 FCADMP Cc1ccccc1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329296402 1265728095 /nfs/dbraw/zinc/72/80/95/1265728095.db2.gz CLZUFWSEHMCGBF-SFHVURJKSA-N 2 1 372.513 0.938 20 0 FCADMP Cc1ccccc1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001329296402 1265728104 /nfs/dbraw/zinc/72/81/04/1265728104.db2.gz CLZUFWSEHMCGBF-SFHVURJKSA-N 2 1 372.513 0.938 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001006178407 1253719569 /nfs/dbraw/zinc/71/95/69/1253719569.db2.gz BGAIDLKINNMBCB-ZMSDIMECSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001022174547 1253801528 /nfs/dbraw/zinc/80/15/28/1253801528.db2.gz FPPGHBBYCGSHHZ-JZXOWHBKSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022174586 1253803121 /nfs/dbraw/zinc/80/31/21/1253803121.db2.gz HFGJCERPFCPHMY-JKSUJKDBSA-N 2 1 357.458 0.347 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001026916579 1253848109 /nfs/dbraw/zinc/84/81/09/1253848109.db2.gz KTWPQZCJPNSDGB-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001026916579 1253848116 /nfs/dbraw/zinc/84/81/16/1253848116.db2.gz KTWPQZCJPNSDGB-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001026916732 1253848196 /nfs/dbraw/zinc/84/81/96/1253848196.db2.gz NELRNEYOASAOIZ-QLFBSQMISA-N 2 1 364.494 0.035 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001026916732 1253848199 /nfs/dbraw/zinc/84/81/99/1253848199.db2.gz NELRNEYOASAOIZ-QLFBSQMISA-N 2 1 364.494 0.035 20 0 FCADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415402 1253852660 /nfs/dbraw/zinc/85/26/60/1253852660.db2.gz KUOHGUBMSCSGGL-NUJGCVRESA-N 2 1 366.506 0.141 20 0 FCADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415402 1253852683 /nfs/dbraw/zinc/85/26/83/1253852683.db2.gz KUOHGUBMSCSGGL-NUJGCVRESA-N 2 1 366.506 0.141 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679537 1253886247 /nfs/dbraw/zinc/88/62/47/1253886247.db2.gz WIPADCAIJFJVPC-ZACQAIPSSA-N 2 1 366.506 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001033100241 1253944601 /nfs/dbraw/zinc/94/46/01/1253944601.db2.gz WILMYWYXOMOVEF-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033100241 1253944618 /nfs/dbraw/zinc/94/46/18/1253944618.db2.gz WILMYWYXOMOVEF-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033100241 1253944626 /nfs/dbraw/zinc/94/46/26/1253944626.db2.gz WILMYWYXOMOVEF-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001033100240 1253944911 /nfs/dbraw/zinc/94/49/11/1253944911.db2.gz WILMYWYXOMOVEF-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033100240 1253944917 /nfs/dbraw/zinc/94/49/17/1253944917.db2.gz WILMYWYXOMOVEF-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001033100240 1253944932 /nfs/dbraw/zinc/94/49/32/1253944932.db2.gz WILMYWYXOMOVEF-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccnn3C)C2)O1 ZINC001034273344 1253984072 /nfs/dbraw/zinc/98/40/72/1253984072.db2.gz PVALDIDTTLWHIC-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccnn3C)C2)O1 ZINC001034273344 1253984080 /nfs/dbraw/zinc/98/40/80/1253984080.db2.gz PVALDIDTTLWHIC-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCc3ccnn3C)C2)O1 ZINC001034273344 1253984090 /nfs/dbraw/zinc/98/40/90/1253984090.db2.gz PVALDIDTTLWHIC-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCc3ccnn3C)C2)O1 ZINC001034273344 1253984099 /nfs/dbraw/zinc/98/40/99/1253984099.db2.gz PVALDIDTTLWHIC-JFIYKMOQSA-N 2 1 363.506 0.652 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001034971570 1254013228 /nfs/dbraw/zinc/01/32/28/1254013228.db2.gz QDYMVWIUJGSVKD-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001034971570 1254013243 /nfs/dbraw/zinc/01/32/43/1254013243.db2.gz QDYMVWIUJGSVKD-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035201405 1254020977 /nfs/dbraw/zinc/02/09/77/1254020977.db2.gz VYJUFIOMYVQOLY-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035201405 1254020983 /nfs/dbraw/zinc/02/09/83/1254020983.db2.gz VYJUFIOMYVQOLY-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035201405 1254020992 /nfs/dbraw/zinc/02/09/92/1254020992.db2.gz VYJUFIOMYVQOLY-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035201405 1254020998 /nfs/dbraw/zinc/02/09/98/1254020998.db2.gz VYJUFIOMYVQOLY-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CC[NH+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001036603821 1254066917 /nfs/dbraw/zinc/06/69/17/1254066917.db2.gz SDFJATABOMSKFL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CC[NH+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001036603821 1254066923 /nfs/dbraw/zinc/06/69/23/1254066923.db2.gz SDFJATABOMSKFL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CC[N@H+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001036603821 1254066928 /nfs/dbraw/zinc/06/69/28/1254066928.db2.gz SDFJATABOMSKFL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CC[N@@H+](C)[C@@H]3CCNC3=O)CC2)O1 ZINC001036603821 1254066935 /nfs/dbraw/zinc/06/69/35/1254066935.db2.gz SDFJATABOMSKFL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055980747 1254091510 /nfs/dbraw/zinc/09/15/10/1254091510.db2.gz QFGXDHFWSQVRKE-MDZRGWNJSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055980747 1254091515 /nfs/dbraw/zinc/09/15/15/1254091515.db2.gz QFGXDHFWSQVRKE-MDZRGWNJSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055980747 1254091519 /nfs/dbraw/zinc/09/15/19/1254091519.db2.gz QFGXDHFWSQVRKE-MDZRGWNJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001058788021 1254103630 /nfs/dbraw/zinc/10/36/30/1254103630.db2.gz ZRVKQNCKNZPRGN-BRWVUGGUSA-N 2 1 370.538 0.384 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)COCC[NH+](C)C)CCC2)CC[N@H+]1C ZINC001063227216 1254318350 /nfs/dbraw/zinc/31/83/50/1254318350.db2.gz IMZFRMWIFRYFDJ-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063494541 1254349829 /nfs/dbraw/zinc/34/98/29/1254349829.db2.gz UXJXNBKEVXLUQZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063494541 1254349845 /nfs/dbraw/zinc/34/98/45/1254349845.db2.gz UXJXNBKEVXLUQZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063494541 1254349859 /nfs/dbraw/zinc/34/98/59/1254349859.db2.gz UXJXNBKEVXLUQZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063494541 1254349864 /nfs/dbraw/zinc/34/98/64/1254349864.db2.gz UXJXNBKEVXLUQZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)COCC[NH+](C)C)CCC2)CC[N@H+]1C ZINC001063719150 1254382763 /nfs/dbraw/zinc/38/27/63/1254382763.db2.gz ZJXBLRCUWRPJOL-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065402625 1254529071 /nfs/dbraw/zinc/52/90/71/1254529071.db2.gz XMSLEGHBOCHIQG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553932 1254679505 /nfs/dbraw/zinc/67/95/05/1254679505.db2.gz UXGDKIWNCNYLBK-CGTJXYLNSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553932 1254679519 /nfs/dbraw/zinc/67/95/19/1254679519.db2.gz UXGDKIWNCNYLBK-CGTJXYLNSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553932 1254679530 /nfs/dbraw/zinc/67/95/30/1254679530.db2.gz UXGDKIWNCNYLBK-CGTJXYLNSA-N 2 1 363.506 0.246 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001077612783 1254775995 /nfs/dbraw/zinc/77/59/95/1254775995.db2.gz PARPOMZEIPMJHQ-RTBURBONSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679288 1254863274 /nfs/dbraw/zinc/86/32/74/1254863274.db2.gz MWCGFZAUGKRICS-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679288 1254863289 /nfs/dbraw/zinc/86/32/89/1254863289.db2.gz MWCGFZAUGKRICS-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679288 1254863297 /nfs/dbraw/zinc/86/32/97/1254863297.db2.gz MWCGFZAUGKRICS-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679288 1254863309 /nfs/dbraw/zinc/86/33/09/1254863309.db2.gz MWCGFZAUGKRICS-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680439 1254867309 /nfs/dbraw/zinc/86/73/09/1254867309.db2.gz GQIARBGMGANNLZ-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680439 1254867315 /nfs/dbraw/zinc/86/73/15/1254867315.db2.gz GQIARBGMGANNLZ-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680439 1254867320 /nfs/dbraw/zinc/86/73/20/1254867320.db2.gz GQIARBGMGANNLZ-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680439 1254867325 /nfs/dbraw/zinc/86/73/25/1254867325.db2.gz GQIARBGMGANNLZ-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC1 ZINC001077778541 1254981013 /nfs/dbraw/zinc/98/10/13/1254981013.db2.gz PEKHLNRYGLDJHV-RTBURBONSA-N 2 1 361.486 0.572 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978812 1255141688 /nfs/dbraw/zinc/14/16/88/1255141688.db2.gz PAKTWRPURSTDAL-QZTJIDSGSA-N 2 1 361.490 0.166 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978812 1255141692 /nfs/dbraw/zinc/14/16/92/1255141692.db2.gz PAKTWRPURSTDAL-QZTJIDSGSA-N 2 1 361.490 0.166 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011909 1255167343 /nfs/dbraw/zinc/16/73/43/1255167343.db2.gz NHLLFRDIDHPVCU-QZTJIDSGSA-N 2 1 365.518 0.983 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1 ZINC001078011048 1255167747 /nfs/dbraw/zinc/16/77/47/1255167747.db2.gz ZFLXNFYPQPDWSK-KURKYZTESA-N 2 1 359.470 0.631 20 0 FCADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012181 1255168925 /nfs/dbraw/zinc/16/89/25/1255168925.db2.gz XMNXRFGKCSYWAB-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012181 1255168929 /nfs/dbraw/zinc/16/89/29/1255168929.db2.gz XMNXRFGKCSYWAB-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175668 1255287327 /nfs/dbraw/zinc/28/73/27/1255287327.db2.gz GWABKMUCYLTXBJ-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175668 1255287334 /nfs/dbraw/zinc/28/73/34/1255287334.db2.gz GWABKMUCYLTXBJ-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175668 1255287345 /nfs/dbraw/zinc/28/73/45/1255287345.db2.gz GWABKMUCYLTXBJ-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175668 1255287351 /nfs/dbraw/zinc/28/73/51/1255287351.db2.gz GWABKMUCYLTXBJ-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cncn3C)C2)CC[N@H+]1C ZINC001078403599 1255407829 /nfs/dbraw/zinc/40/78/29/1255407829.db2.gz CTOZHYXLFYDFLX-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)on1 ZINC001078404996 1255409293 /nfs/dbraw/zinc/40/92/93/1255409293.db2.gz AZDQBJHOWYDQQO-VNQPRFMTSA-N 2 1 366.462 0.731 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)on1 ZINC001078404996 1255409296 /nfs/dbraw/zinc/40/92/96/1255409296.db2.gz AZDQBJHOWYDQQO-VNQPRFMTSA-N 2 1 366.462 0.731 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710358 1255581882 /nfs/dbraw/zinc/58/18/82/1255581882.db2.gz FFGWVCKHCNFZCS-KBRIMQKVSA-N 2 1 359.474 0.764 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710358 1255581887 /nfs/dbraw/zinc/58/18/87/1255581887.db2.gz FFGWVCKHCNFZCS-KBRIMQKVSA-N 2 1 359.474 0.764 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001079710316 1255582729 /nfs/dbraw/zinc/58/27/29/1255582729.db2.gz CUOUWROKLXBCHR-XOKHGSTOSA-N 2 1 359.474 0.764 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001079710316 1255582734 /nfs/dbraw/zinc/58/27/34/1255582734.db2.gz CUOUWROKLXBCHR-XOKHGSTOSA-N 2 1 359.474 0.764 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080012330 1255706045 /nfs/dbraw/zinc/70/60/45/1255706045.db2.gz YJWPQMSJQXOWEE-JLZZUVOBSA-N 2 1 355.442 0.971 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080012330 1255706050 /nfs/dbraw/zinc/70/60/50/1255706050.db2.gz YJWPQMSJQXOWEE-JLZZUVOBSA-N 2 1 355.442 0.971 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013671 1255706141 /nfs/dbraw/zinc/70/61/41/1255706141.db2.gz VBGCOZDIVZLXDO-CXAGYDPISA-N 2 1 353.430 0.985 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080021606 1255711612 /nfs/dbraw/zinc/71/16/12/1255711612.db2.gz IKWICFFWTMKHOQ-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080021606 1255711616 /nfs/dbraw/zinc/71/16/16/1255711616.db2.gz IKWICFFWTMKHOQ-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080021606 1255711620 /nfs/dbraw/zinc/71/16/20/1255711620.db2.gz IKWICFFWTMKHOQ-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135002 1255755917 /nfs/dbraw/zinc/75/59/17/1255755917.db2.gz LCVSHQRJZPNEEG-KCPJHIHWSA-N 2 1 355.398 0.190 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135002 1255755927 /nfs/dbraw/zinc/75/59/27/1255755927.db2.gz LCVSHQRJZPNEEG-KCPJHIHWSA-N 2 1 355.398 0.190 20 0 FCADMP CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080190572 1255778524 /nfs/dbraw/zinc/77/85/24/1255778524.db2.gz WZMPCECPWNHYGD-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080190572 1255778528 /nfs/dbraw/zinc/77/85/28/1255778528.db2.gz WZMPCECPWNHYGD-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[NH+](C)CCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080190572 1255778532 /nfs/dbraw/zinc/77/85/32/1255778532.db2.gz WZMPCECPWNHYGD-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[NH+](C)CCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080190572 1255778540 /nfs/dbraw/zinc/77/85/40/1255778540.db2.gz WZMPCECPWNHYGD-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311215 1255834570 /nfs/dbraw/zinc/83/45/70/1255834570.db2.gz VZNWBAAGKRVAEN-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311215 1255834582 /nfs/dbraw/zinc/83/45/82/1255834582.db2.gz VZNWBAAGKRVAEN-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311215 1255834596 /nfs/dbraw/zinc/83/45/96/1255834596.db2.gz VZNWBAAGKRVAEN-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001080451047 1255893086 /nfs/dbraw/zinc/89/30/86/1255893086.db2.gz YEDFXWNBSQXXPZ-UKPHBRMFSA-N 2 1 357.462 0.482 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001080451047 1255893091 /nfs/dbraw/zinc/89/30/91/1255893091.db2.gz YEDFXWNBSQXXPZ-UKPHBRMFSA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080557187 1255929148 /nfs/dbraw/zinc/92/91/48/1255929148.db2.gz JRMVHSDFUHXPMO-HYVNUMGLSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593286 1255946992 /nfs/dbraw/zinc/94/69/92/1255946992.db2.gz SOHMODBJIWIZFV-JFIYKMOQSA-N 2 1 363.506 0.921 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080890091 1256075321 /nfs/dbraw/zinc/07/53/21/1256075321.db2.gz QGTSAXGJUOCSSM-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080890091 1256075327 /nfs/dbraw/zinc/07/53/27/1256075327.db2.gz QGTSAXGJUOCSSM-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080890091 1256075340 /nfs/dbraw/zinc/07/53/40/1256075340.db2.gz QGTSAXGJUOCSSM-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)cn1 ZINC001080976897 1256120458 /nfs/dbraw/zinc/12/04/58/1256120458.db2.gz NSYXMWKBBOTBCQ-NXHRZFHOSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)cn1 ZINC001080976897 1256120464 /nfs/dbraw/zinc/12/04/64/1256120464.db2.gz NSYXMWKBBOTBCQ-NXHRZFHOSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)cn1 ZINC001080976897 1256120471 /nfs/dbraw/zinc/12/04/71/1256120471.db2.gz NSYXMWKBBOTBCQ-NXHRZFHOSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)cn1 ZINC001080976897 1256120482 /nfs/dbraw/zinc/12/04/82/1256120482.db2.gz NSYXMWKBBOTBCQ-NXHRZFHOSA-N 2 1 363.506 0.603 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979499 1256123652 /nfs/dbraw/zinc/12/36/52/1256123652.db2.gz ROBYTSJWTWHUCG-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979499 1256123661 /nfs/dbraw/zinc/12/36/61/1256123661.db2.gz ROBYTSJWTWHUCG-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979499 1256123671 /nfs/dbraw/zinc/12/36/71/1256123671.db2.gz ROBYTSJWTWHUCG-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979499 1256123678 /nfs/dbraw/zinc/12/36/78/1256123678.db2.gz ROBYTSJWTWHUCG-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2ccccc2)nn1 ZINC001081226722 1256211188 /nfs/dbraw/zinc/21/11/88/1256211188.db2.gz HEZVOMTYOLSDOO-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2ccccc2)nn1 ZINC001081226722 1256211197 /nfs/dbraw/zinc/21/11/97/1256211197.db2.gz HEZVOMTYOLSDOO-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767222 1256359935 /nfs/dbraw/zinc/35/99/35/1256359935.db2.gz XRWYKHDNFCZAAA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767222 1256359944 /nfs/dbraw/zinc/35/99/44/1256359944.db2.gz XRWYKHDNFCZAAA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767222 1256359949 /nfs/dbraw/zinc/35/99/49/1256359949.db2.gz XRWYKHDNFCZAAA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767222 1256359956 /nfs/dbraw/zinc/35/99/56/1256359956.db2.gz XRWYKHDNFCZAAA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066325 1256518982 /nfs/dbraw/zinc/51/89/82/1256518982.db2.gz LZCHLZPAOPOBFS-DZJNRPSUSA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066325 1256518984 /nfs/dbraw/zinc/51/89/84/1256518984.db2.gz LZCHLZPAOPOBFS-DZJNRPSUSA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066325 1256518986 /nfs/dbraw/zinc/51/89/86/1256518986.db2.gz LZCHLZPAOPOBFS-DZJNRPSUSA-N 2 1 363.506 0.508 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328647 1256671652 /nfs/dbraw/zinc/67/16/52/1256671652.db2.gz DJUALZFAPAUONX-NVXWUHKLSA-N 2 1 362.474 0.957 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328647 1256671655 /nfs/dbraw/zinc/67/16/55/1256671655.db2.gz DJUALZFAPAUONX-NVXWUHKLSA-N 2 1 362.474 0.957 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368658 1256716906 /nfs/dbraw/zinc/71/69/06/1256716906.db2.gz JTSKYJUDFRTBHE-GVDBMIGSSA-N 2 1 361.490 0.415 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368658 1256716914 /nfs/dbraw/zinc/71/69/14/1256716914.db2.gz JTSKYJUDFRTBHE-GVDBMIGSSA-N 2 1 361.490 0.415 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368658 1256716918 /nfs/dbraw/zinc/71/69/18/1256716918.db2.gz JTSKYJUDFRTBHE-GVDBMIGSSA-N 2 1 361.490 0.415 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368658 1256716925 /nfs/dbraw/zinc/71/69/25/1256716925.db2.gz JTSKYJUDFRTBHE-GVDBMIGSSA-N 2 1 361.490 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082449902 1256766746 /nfs/dbraw/zinc/76/67/46/1256766746.db2.gz OIXQHMQLXSVCQX-DJIMGWMZSA-N 2 1 369.473 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082449902 1256766749 /nfs/dbraw/zinc/76/67/49/1256766749.db2.gz OIXQHMQLXSVCQX-DJIMGWMZSA-N 2 1 369.473 0.693 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082507587 1256793256 /nfs/dbraw/zinc/79/32/56/1256793256.db2.gz WZEOPLYSALGBJE-BZUAXINKSA-N 2 1 364.490 0.445 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)o1 ZINC001082517975 1256800752 /nfs/dbraw/zinc/80/07/52/1256800752.db2.gz SAYSCNSAWLSCEZ-CZUORRHYSA-N 2 1 360.462 0.991 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592462 1266066309 /nfs/dbraw/zinc/06/63/09/1266066309.db2.gz QFCYSTMBSHPJAS-CQSZACIVSA-N 2 1 361.494 0.101 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592462 1266066315 /nfs/dbraw/zinc/06/63/15/1266066315.db2.gz QFCYSTMBSHPJAS-CQSZACIVSA-N 2 1 361.494 0.101 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001082544508 1256835650 /nfs/dbraw/zinc/83/56/50/1256835650.db2.gz GIDPBHNLEGINFT-OAGGEKHMSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544508 1256835662 /nfs/dbraw/zinc/83/56/62/1256835662.db2.gz GIDPBHNLEGINFT-OAGGEKHMSA-N 2 1 363.510 0.894 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)cn1 ZINC001082557814 1256854021 /nfs/dbraw/zinc/85/40/21/1256854021.db2.gz HYYOBXYTAIIWBN-OLMNPRSZSA-N 2 1 371.489 0.548 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082557951 1256855172 /nfs/dbraw/zinc/85/51/72/1256855172.db2.gz QMIIHWHTGAXMHV-KBAYOESNSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082595753 1256908386 /nfs/dbraw/zinc/90/83/86/1256908386.db2.gz BRCLKKPELLOBQS-RBSFLKMASA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082595753 1256908390 /nfs/dbraw/zinc/90/83/90/1256908390.db2.gz BRCLKKPELLOBQS-RBSFLKMASA-N 2 1 362.478 0.229 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653510 1256956864 /nfs/dbraw/zinc/95/68/64/1256956864.db2.gz ONZHDHRDHSOOMU-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)no1 ZINC001082653435 1256957498 /nfs/dbraw/zinc/95/74/98/1256957498.db2.gz KMZUJUHBDNOYEJ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)no1 ZINC001082653435 1256957505 /nfs/dbraw/zinc/95/75/05/1256957505.db2.gz KMZUJUHBDNOYEJ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082653271 1256957793 /nfs/dbraw/zinc/95/77/93/1256957793.db2.gz CRXSQTSECUSAEW-YUKWLFIZSA-N 2 1 359.474 0.220 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703073 1256994010 /nfs/dbraw/zinc/99/40/10/1256994010.db2.gz WMPAHOTUIOVWAQ-ZTFGCOKTSA-N 2 1 363.506 0.774 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703073 1256994014 /nfs/dbraw/zinc/99/40/14/1256994014.db2.gz WMPAHOTUIOVWAQ-ZTFGCOKTSA-N 2 1 363.506 0.774 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703072 1256995041 /nfs/dbraw/zinc/99/50/41/1256995041.db2.gz WMPAHOTUIOVWAQ-OLMNPRSZSA-N 2 1 363.506 0.774 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703072 1256995044 /nfs/dbraw/zinc/99/50/44/1256995044.db2.gz WMPAHOTUIOVWAQ-OLMNPRSZSA-N 2 1 363.506 0.774 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703450 1256995455 /nfs/dbraw/zinc/99/54/55/1256995455.db2.gz UVEWZZOMIJZZJY-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703450 1256995462 /nfs/dbraw/zinc/99/54/62/1256995462.db2.gz UVEWZZOMIJZZJY-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705524 1256996026 /nfs/dbraw/zinc/99/60/26/1256996026.db2.gz IXDSWXVFRDHQEE-FXUDXRNXSA-N 2 1 363.510 0.750 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705524 1256996033 /nfs/dbraw/zinc/99/60/33/1256996033.db2.gz IXDSWXVFRDHQEE-FXUDXRNXSA-N 2 1 363.510 0.750 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082724740 1257012472 /nfs/dbraw/zinc/01/24/72/1257012472.db2.gz FZNVQDIDLOXLJG-BFYDXBDKSA-N 2 1 365.526 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082740693 1257021866 /nfs/dbraw/zinc/02/18/66/1257021866.db2.gz CPMOFQAHAUCIKQ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082740693 1257021875 /nfs/dbraw/zinc/02/18/75/1257021875.db2.gz CPMOFQAHAUCIKQ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001082922374 1257146658 /nfs/dbraw/zinc/14/66/58/1257146658.db2.gz ZTWVXQFAHIXVAJ-XOKHGSTOSA-N 2 1 359.474 0.781 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]32)n1 ZINC001083084857 1257286876 /nfs/dbraw/zinc/28/68/76/1257286876.db2.gz JZRLXRSLCQMYSB-ZWKOTPCHSA-N 2 1 361.490 0.770 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001521266392 1266107125 /nfs/dbraw/zinc/10/71/25/1266107125.db2.gz NGHCLFHTDBFUNT-DJIMGWMZSA-N 2 1 358.490 0.549 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)Cn4c[nH+]cc4C)[C@H]3C2)C1 ZINC001083143800 1257397990 /nfs/dbraw/zinc/39/79/90/1257397990.db2.gz BLMKLCDEGOGKQT-ZGUYJTEBSA-N 2 1 362.474 0.918 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)Cn4c[nH+]cc4C)[C@H]3C2)C1 ZINC001083143800 1257397997 /nfs/dbraw/zinc/39/79/97/1257397997.db2.gz BLMKLCDEGOGKQT-ZGUYJTEBSA-N 2 1 362.474 0.918 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001521343016 1266115053 /nfs/dbraw/zinc/11/50/53/1266115053.db2.gz UXHLWVYOCNVZMR-WMZOPIPTSA-N 2 1 366.554 0.042 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H](O)C2)c1 ZINC001083469293 1257461229 /nfs/dbraw/zinc/46/12/29/1257461229.db2.gz NHJYNCJUEAONEB-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@@H]1O)C2 ZINC001083780621 1257524163 /nfs/dbraw/zinc/52/41/63/1257524163.db2.gz DYDRFDCQGZTAQU-IMJJTQAJSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@@H]1O)C2 ZINC001083780621 1257524166 /nfs/dbraw/zinc/52/41/66/1257524166.db2.gz DYDRFDCQGZTAQU-IMJJTQAJSA-N 2 1 368.428 0.961 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1)OC ZINC001083783400 1257530374 /nfs/dbraw/zinc/53/03/74/1257530374.db2.gz PYIBAKCKMIHYQJ-QRVBRYPASA-N 2 1 363.502 0.991 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001521424930 1266120577 /nfs/dbraw/zinc/12/05/77/1266120577.db2.gz MVZURKQNTMLJBJ-KBPBESRZSA-N 2 1 352.479 0.889 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)CC1 ZINC001083832950 1257586456 /nfs/dbraw/zinc/58/64/56/1257586456.db2.gz BNNNQYURONNNIC-MOPGFXCFSA-N 2 1 361.486 0.959 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896113 1257670669 /nfs/dbraw/zinc/67/06/69/1257670669.db2.gz VTRYOFLULCWAPT-KURKYZTESA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896113 1257670675 /nfs/dbraw/zinc/67/06/75/1257670675.db2.gz VTRYOFLULCWAPT-KURKYZTESA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937159 1257722834 /nfs/dbraw/zinc/72/28/34/1257722834.db2.gz PAKTWRPURSTDAL-MSOLQXFVSA-N 2 1 361.490 0.166 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937159 1257722840 /nfs/dbraw/zinc/72/28/40/1257722840.db2.gz PAKTWRPURSTDAL-MSOLQXFVSA-N 2 1 361.490 0.166 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937370 1257723012 /nfs/dbraw/zinc/72/30/12/1257723012.db2.gz ZUCQXUMHVHNQFX-UHOSZYNNSA-N 2 1 365.518 0.696 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958322 1257747885 /nfs/dbraw/zinc/74/78/85/1257747885.db2.gz AGJXGWWKILWKEC-AEFFLSMTSA-N 2 1 358.486 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC001331098116 1266146026 /nfs/dbraw/zinc/14/60/26/1266146026.db2.gz PFRMKTPVFJYVLS-WCXIOVBPSA-N 2 1 366.506 0.250 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001084090830 1257915007 /nfs/dbraw/zinc/91/50/07/1257915007.db2.gz KRZCWSJNLANLFL-IPELMVKDSA-N 2 1 361.486 0.950 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001084347626 1258041384 /nfs/dbraw/zinc/04/13/84/1258041384.db2.gz YLSUOFTWSOENLQ-KZNAEPCWSA-N 2 1 360.502 0.483 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001084347626 1258041392 /nfs/dbraw/zinc/04/13/92/1258041392.db2.gz YLSUOFTWSOENLQ-KZNAEPCWSA-N 2 1 360.502 0.483 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)cn1 ZINC001084351948 1258043942 /nfs/dbraw/zinc/04/39/42/1258043942.db2.gz HTBZDERXHBYVMC-SJLPKXTDSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)cn1 ZINC001084351948 1258043950 /nfs/dbraw/zinc/04/39/50/1258043950.db2.gz HTBZDERXHBYVMC-SJLPKXTDSA-N 2 1 371.489 0.525 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084442913 1258115442 /nfs/dbraw/zinc/11/54/42/1258115442.db2.gz VSCWUPDIMSLWAN-IAGOWNOFSA-N 2 1 358.490 0.687 20 0 FCADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084545562 1258164305 /nfs/dbraw/zinc/16/43/05/1258164305.db2.gz OMIYOOZQAUKJOZ-KZNAEPCWSA-N 2 1 358.490 0.685 20 0 FCADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084545562 1258164311 /nfs/dbraw/zinc/16/43/11/1258164311.db2.gz OMIYOOZQAUKJOZ-KZNAEPCWSA-N 2 1 358.490 0.685 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630550 1258210776 /nfs/dbraw/zinc/21/07/76/1258210776.db2.gz KSSNAWHPICGGBY-KZNAEPCWSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630550 1258210784 /nfs/dbraw/zinc/21/07/84/1258210784.db2.gz KSSNAWHPICGGBY-KZNAEPCWSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001084702047 1258250388 /nfs/dbraw/zinc/25/03/88/1258250388.db2.gz DUMVSWHIWAONTK-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001084702047 1258250390 /nfs/dbraw/zinc/25/03/90/1258250390.db2.gz DUMVSWHIWAONTK-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001084702109 1258250536 /nfs/dbraw/zinc/25/05/36/1258250536.db2.gz HGYYLEXXLQPSBP-SJLPKXTDSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001084702109 1258250539 /nfs/dbraw/zinc/25/05/39/1258250539.db2.gz HGYYLEXXLQPSBP-SJLPKXTDSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCOC4)C[C@H]32)cn1 ZINC001084714377 1258260108 /nfs/dbraw/zinc/26/01/08/1258260108.db2.gz DMZXUVYXMPPAHM-LZLYRXPVSA-N 2 1 361.490 0.628 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084833208 1258379446 /nfs/dbraw/zinc/37/94/46/1258379446.db2.gz SZLZWKFOBPEHPS-GVDBMIGSSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084833208 1258379453 /nfs/dbraw/zinc/37/94/53/1258379453.db2.gz SZLZWKFOBPEHPS-GVDBMIGSSA-N 2 1 359.474 0.641 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032398 1258533933 /nfs/dbraw/zinc/53/39/33/1258533933.db2.gz FBHNAIICVFPQCE-ZACQAIPSSA-N 2 1 363.506 0.419 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032398 1258533936 /nfs/dbraw/zinc/53/39/36/1258533936.db2.gz FBHNAIICVFPQCE-ZACQAIPSSA-N 2 1 363.506 0.419 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032398 1258533940 /nfs/dbraw/zinc/53/39/40/1258533940.db2.gz FBHNAIICVFPQCE-ZACQAIPSSA-N 2 1 363.506 0.419 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033294 1258537046 /nfs/dbraw/zinc/53/70/46/1258537046.db2.gz ZFAIDZOFXWQUFM-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033294 1258537047 /nfs/dbraw/zinc/53/70/47/1258537047.db2.gz ZFAIDZOFXWQUFM-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033294 1258537051 /nfs/dbraw/zinc/53/70/51/1258537051.db2.gz ZFAIDZOFXWQUFM-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)CC1 ZINC001085049952 1258545606 /nfs/dbraw/zinc/54/56/06/1258545606.db2.gz LDCHQKDLQXZFHL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001085093876 1258588813 /nfs/dbraw/zinc/58/88/13/1258588813.db2.gz IMAPIPIDDUNHBW-SJORKVTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001085093876 1258588820 /nfs/dbraw/zinc/58/88/20/1258588820.db2.gz IMAPIPIDDUNHBW-SJORKVTESA-N 2 1 359.474 0.737 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001085197688 1258627032 /nfs/dbraw/zinc/62/70/32/1258627032.db2.gz GSPIXQQOSXNGAW-HUUCEWRRSA-N 2 1 363.510 0.992 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)C1CC1 ZINC001088171736 1258689401 /nfs/dbraw/zinc/68/94/01/1258689401.db2.gz DVONMUZGGDBAET-CVEARBPZSA-N 2 1 360.502 0.483 20 0 FCADMP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088170190 1258689483 /nfs/dbraw/zinc/68/94/83/1258689483.db2.gz HZXQIKQIBQUITJ-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088170190 1258689492 /nfs/dbraw/zinc/68/94/92/1258689492.db2.gz HZXQIKQIBQUITJ-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088170190 1258689503 /nfs/dbraw/zinc/68/95/03/1258689503.db2.gz HZXQIKQIBQUITJ-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088170190 1258689511 /nfs/dbraw/zinc/68/95/11/1258689511.db2.gz HZXQIKQIBQUITJ-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP O=C(N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172233 1258692233 /nfs/dbraw/zinc/69/22/33/1258692233.db2.gz AWVAILZCQLOGGN-SJORKVTESA-N 2 1 360.502 0.485 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202185 1258724941 /nfs/dbraw/zinc/72/49/41/1258724941.db2.gz OHDLYCPAHZLIBC-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202185 1258724945 /nfs/dbraw/zinc/72/49/45/1258724945.db2.gz OHDLYCPAHZLIBC-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208122 1258730541 /nfs/dbraw/zinc/73/05/41/1258730541.db2.gz MOOJSRYWTQWOIR-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208122 1258730545 /nfs/dbraw/zinc/73/05/45/1258730545.db2.gz MOOJSRYWTQWOIR-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208122 1258730552 /nfs/dbraw/zinc/73/05/52/1258730552.db2.gz MOOJSRYWTQWOIR-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208122 1258730557 /nfs/dbraw/zinc/73/05/57/1258730557.db2.gz MOOJSRYWTQWOIR-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416397 1258759113 /nfs/dbraw/zinc/75/91/13/1258759113.db2.gz LPBHLMQVNLPIFO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416397 1258759120 /nfs/dbraw/zinc/75/91/20/1258759120.db2.gz LPBHLMQVNLPIFO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416397 1258759123 /nfs/dbraw/zinc/75/91/23/1258759123.db2.gz LPBHLMQVNLPIFO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416397 1258759127 /nfs/dbraw/zinc/75/91/27/1258759127.db2.gz LPBHLMQVNLPIFO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671553 1258811750 /nfs/dbraw/zinc/81/17/50/1258811750.db2.gz LLKZNUDFWMIYLE-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671553 1258811754 /nfs/dbraw/zinc/81/17/54/1258811754.db2.gz LLKZNUDFWMIYLE-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671553 1258811760 /nfs/dbraw/zinc/81/17/60/1258811760.db2.gz LLKZNUDFWMIYLE-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671553 1258811764 /nfs/dbraw/zinc/81/17/64/1258811764.db2.gz LLKZNUDFWMIYLE-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724270 1258818735 /nfs/dbraw/zinc/81/87/35/1258818735.db2.gz JCLIBSGYPIMRJK-DTTOXWODSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724270 1258818741 /nfs/dbraw/zinc/81/87/41/1258818741.db2.gz JCLIBSGYPIMRJK-DTTOXWODSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724270 1258818749 /nfs/dbraw/zinc/81/87/49/1258818749.db2.gz JCLIBSGYPIMRJK-DTTOXWODSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724270 1258818756 /nfs/dbraw/zinc/81/87/56/1258818756.db2.gz JCLIBSGYPIMRJK-DTTOXWODSA-N 2 1 361.490 0.688 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001331416955 1266213805 /nfs/dbraw/zinc/21/38/05/1266213805.db2.gz XUNCPXCZSMDNQS-HNNXBMFYSA-N 2 1 362.474 0.614 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782702 1258843744 /nfs/dbraw/zinc/84/37/44/1258843744.db2.gz WKLPIQUWMUBHBE-XPKDYRNWSA-N 2 1 369.425 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782036 1258843863 /nfs/dbraw/zinc/84/38/63/1258843863.db2.gz CAGDLPOSKGLLCU-UKRRQHHQSA-N 2 1 353.430 0.961 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)C2 ZINC001106667238 1258936964 /nfs/dbraw/zinc/93/69/64/1258936964.db2.gz PFCHZPNMYVMJIO-VNQPRFMTSA-N 2 1 361.490 0.526 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)C1 ZINC001106666340 1258936988 /nfs/dbraw/zinc/93/69/88/1258936988.db2.gz KZHJBTPWEZHKMZ-JFIYKMOQSA-N 2 1 364.534 0.881 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666692 1258937073 /nfs/dbraw/zinc/93/70/73/1258937073.db2.gz QURXOIHULGNEBQ-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001106666467 1258937423 /nfs/dbraw/zinc/93/74/23/1258937423.db2.gz LTAOKGQMFWNVQV-IIDMSEBBSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC001106765545 1258957254 /nfs/dbraw/zinc/95/72/54/1258957254.db2.gz HUQVXDKLDDQVNO-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP CCCC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106767845 1258958142 /nfs/dbraw/zinc/95/81/42/1258958142.db2.gz WHEHMBCXIJVTGJ-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106765672 1258958616 /nfs/dbraw/zinc/95/86/16/1258958616.db2.gz OHYUKBWLCBRCCJ-QZTJIDSGSA-N 2 1 371.522 0.182 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106765659 1258958917 /nfs/dbraw/zinc/95/89/17/1258958917.db2.gz NYKNWGRXJMQWCU-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001106810926 1258967418 /nfs/dbraw/zinc/96/74/18/1258967418.db2.gz JNIMASBQZDMUTB-CPUCHLNUSA-N 2 1 370.457 0.829 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106840346 1258973749 /nfs/dbraw/zinc/97/37/49/1258973749.db2.gz JIGCPWRHUZQHPZ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840419 1258973931 /nfs/dbraw/zinc/97/39/31/1258973931.db2.gz LWJPFGYHHVZLDU-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840192 1258973987 /nfs/dbraw/zinc/97/39/87/1258973987.db2.gz CNQXYUROYCPDNT-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840420 1258974077 /nfs/dbraw/zinc/97/40/77/1258974077.db2.gz LWJPFGYHHVZLDU-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001106874284 1258985686 /nfs/dbraw/zinc/98/56/86/1258985686.db2.gz AYWITTXUALALBG-ZTFGCOKTSA-N 2 1 362.522 0.921 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106907894 1258994959 /nfs/dbraw/zinc/99/49/59/1258994959.db2.gz HUBKVFSTYBJDMI-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106980894 1259010296 /nfs/dbraw/zinc/01/02/96/1259010296.db2.gz DCLQULWMOMIGAG-BZUAXINKSA-N 2 1 362.474 0.532 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106983121 1259011060 /nfs/dbraw/zinc/01/10/60/1259011060.db2.gz URAIEESTEMAZLZ-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106987028 1259012105 /nfs/dbraw/zinc/01/21/05/1259012105.db2.gz OGENHDHBQZCHQB-OIISXLGYSA-N 2 1 360.462 0.133 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)C1 ZINC001107008981 1259017244 /nfs/dbraw/zinc/01/72/44/1259017244.db2.gz GCPCWNWOGQWNFI-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)C1 ZINC001107008981 1259017248 /nfs/dbraw/zinc/01/72/48/1259017248.db2.gz GCPCWNWOGQWNFI-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042267 1259024080 /nfs/dbraw/zinc/02/40/80/1259024080.db2.gz DJYCSUMDKYFLAG-HZPDHXFCSA-N 2 1 365.526 0.998 20 0 FCADMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC(N)=O)CC3)CCC1 ZINC001107436507 1259087398 /nfs/dbraw/zinc/08/73/98/1259087398.db2.gz AOVBETWTHQTRKP-CXAGYDPISA-N 2 1 365.478 0.026 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107547001 1259112266 /nfs/dbraw/zinc/11/22/66/1259112266.db2.gz XIZZIVLEHXGTFH-PMUMKWKESA-N 2 1 365.478 0.026 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107547001 1259112270 /nfs/dbraw/zinc/11/22/70/1259112270.db2.gz XIZZIVLEHXGTFH-PMUMKWKESA-N 2 1 365.478 0.026 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107547001 1259112271 /nfs/dbraw/zinc/11/22/71/1259112271.db2.gz XIZZIVLEHXGTFH-PMUMKWKESA-N 2 1 365.478 0.026 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107546852 1259113124 /nfs/dbraw/zinc/11/31/24/1259113124.db2.gz RHGMCIZKHUNXND-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107546852 1259113126 /nfs/dbraw/zinc/11/31/26/1259113126.db2.gz RHGMCIZKHUNXND-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107546852 1259113128 /nfs/dbraw/zinc/11/31/28/1259113128.db2.gz RHGMCIZKHUNXND-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2 ZINC001107582868 1259124929 /nfs/dbraw/zinc/12/49/29/1259124929.db2.gz ARTOWOJQPASDJY-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107638794 1259140377 /nfs/dbraw/zinc/14/03/77/1259140377.db2.gz MPYWNRMFNQHEMU-YQVWRLOYSA-N 2 1 369.506 0.077 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107638794 1259140381 /nfs/dbraw/zinc/14/03/81/1259140381.db2.gz MPYWNRMFNQHEMU-YQVWRLOYSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107638794 1259140385 /nfs/dbraw/zinc/14/03/85/1259140385.db2.gz MPYWNRMFNQHEMU-YQVWRLOYSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107638794 1259140387 /nfs/dbraw/zinc/14/03/87/1259140387.db2.gz MPYWNRMFNQHEMU-YQVWRLOYSA-N 2 1 369.506 0.077 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCc3ncnn32)CCC1 ZINC001109403411 1259158074 /nfs/dbraw/zinc/15/80/74/1259158074.db2.gz FMHJZFJUKRGJRI-WCVJEAGWSA-N 2 1 358.490 0.971 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1ncccn1 ZINC001127570643 1259180445 /nfs/dbraw/zinc/18/04/45/1259180445.db2.gz AADMILQUHDBLQU-UAGQMJEPSA-N 2 1 361.490 0.990 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001331576419 1266240059 /nfs/dbraw/zinc/24/00/59/1266240059.db2.gz ZSGSKFMYLRVJEO-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127695423 1259184687 /nfs/dbraw/zinc/18/46/87/1259184687.db2.gz KLPYNRZXRYHESZ-HZSPNIEDSA-N 2 1 369.510 0.435 20 0 FCADMP COc1ccc(C)cc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660205 1259185102 /nfs/dbraw/zinc/18/51/02/1259185102.db2.gz RHGOKHOFCQISJR-HUUCEWRRSA-N 2 1 362.474 0.988 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603608 1266247275 /nfs/dbraw/zinc/24/72/75/1266247275.db2.gz HBCZECOCUNXMNE-VDHUWJSZSA-N 2 1 358.486 0.867 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199033 1259342827 /nfs/dbraw/zinc/34/28/27/1259342827.db2.gz BOVMAFOUVDRFAJ-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199033 1259342831 /nfs/dbraw/zinc/34/28/31/1259342831.db2.gz BOVMAFOUVDRFAJ-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199033 1259342837 /nfs/dbraw/zinc/34/28/37/1259342837.db2.gz BOVMAFOUVDRFAJ-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129205294 1259344223 /nfs/dbraw/zinc/34/42/23/1259344223.db2.gz SEKQJDLMUQUTHT-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205218 1259344511 /nfs/dbraw/zinc/34/45/11/1259344511.db2.gz QXSODNCGZUYBSG-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129228185 1259348760 /nfs/dbraw/zinc/34/87/60/1259348760.db2.gz HPOBZWYRPKPABO-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233211 1259350620 /nfs/dbraw/zinc/35/06/20/1259350620.db2.gz IOERRMDGVBLLAQ-IXDOHACOSA-N 2 1 366.510 0.632 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267235 1259362416 /nfs/dbraw/zinc/36/24/16/1259362416.db2.gz ZVVMDUPGTVMYDL-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267235 1259362420 /nfs/dbraw/zinc/36/24/20/1259362420.db2.gz ZVVMDUPGTVMYDL-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267235 1259362426 /nfs/dbraw/zinc/36/24/26/1259362426.db2.gz ZVVMDUPGTVMYDL-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300691 1259368118 /nfs/dbraw/zinc/36/81/18/1259368118.db2.gz DSRMXMDLPCQNRZ-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP [NH3+]C1CCN(CCNc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC001161871421 1259387531 /nfs/dbraw/zinc/38/75/31/1259387531.db2.gz ZQKJEXHCCLTGDI-UHFFFAOYSA-N 2 1 360.510 0.329 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023372 1259412973 /nfs/dbraw/zinc/41/29/73/1259412973.db2.gz GIVXYUBZADWQGW-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023372 1259412977 /nfs/dbraw/zinc/41/29/77/1259412977.db2.gz GIVXYUBZADWQGW-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546227 1259416867 /nfs/dbraw/zinc/41/68/67/1259416867.db2.gz AHUXGUPLROTMCE-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001200651690 1259418730 /nfs/dbraw/zinc/41/87/30/1259418730.db2.gz HUNWPECLSQHCGM-LSDHHAIUSA-N 2 1 363.462 0.924 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401789 1259489976 /nfs/dbraw/zinc/48/99/76/1259489976.db2.gz YZBHECHCHKAJLE-RCCFBDPRSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401789 1259489980 /nfs/dbraw/zinc/48/99/80/1259489980.db2.gz YZBHECHCHKAJLE-RCCFBDPRSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401789 1259489984 /nfs/dbraw/zinc/48/99/84/1259489984.db2.gz YZBHECHCHKAJLE-RCCFBDPRSA-N 2 1 371.522 0.443 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406485 1259492366 /nfs/dbraw/zinc/49/23/66/1259492366.db2.gz UYNQBCAWJAAPFY-FGTMMUONSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406485 1259492371 /nfs/dbraw/zinc/49/23/71/1259492371.db2.gz UYNQBCAWJAAPFY-FGTMMUONSA-N 2 1 363.506 0.819 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)cn1 ZINC001212408432 1259493534 /nfs/dbraw/zinc/49/35/34/1259493534.db2.gz QEEZHZHJULDPNR-IAGOWNOFSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)cn1 ZINC001212408432 1259493542 /nfs/dbraw/zinc/49/35/42/1259493542.db2.gz QEEZHZHJULDPNR-IAGOWNOFSA-N 2 1 363.506 0.745 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519888 /nfs/dbraw/zinc/51/98/88/1259519888.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519892 /nfs/dbraw/zinc/51/98/92/1259519892.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519898 /nfs/dbraw/zinc/51/98/98/1259519898.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496073 1259525661 /nfs/dbraw/zinc/52/56/61/1259525661.db2.gz XUSCHPVISNIIOW-BRWVUGGUSA-N 2 1 371.522 0.462 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496073 1259525667 /nfs/dbraw/zinc/52/56/67/1259525667.db2.gz XUSCHPVISNIIOW-BRWVUGGUSA-N 2 1 371.522 0.462 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496073 1259525670 /nfs/dbraw/zinc/52/56/70/1259525670.db2.gz XUSCHPVISNIIOW-BRWVUGGUSA-N 2 1 371.522 0.462 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)no1 ZINC001215536157 1259534957 /nfs/dbraw/zinc/53/49/57/1259534957.db2.gz KGQLFIUZQCSYQH-UMVBOHGHSA-N 2 1 363.462 0.842 20 0 FCADMP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cn3c(n2)C[NH2+]CC3)c1 ZINC001237443653 1259597157 /nfs/dbraw/zinc/59/71/57/1259597157.db2.gz MDNUYNQGMBCMQZ-KRWDZBQOSA-N 2 1 355.442 0.919 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238103859 1259613485 /nfs/dbraw/zinc/61/34/85/1259613485.db2.gz HJPMMHCRWMJQMY-BEFAXECRSA-N 2 1 358.442 0.888 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238103859 1259613494 /nfs/dbraw/zinc/61/34/94/1259613494.db2.gz HJPMMHCRWMJQMY-BEFAXECRSA-N 2 1 358.442 0.888 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001335385195 1259637093 /nfs/dbraw/zinc/63/70/93/1259637093.db2.gz XQBIKJKNIPOGLQ-IBGZPJMESA-N 2 1 365.522 0.905 20 0 FCADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(NC[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001245966116 1259642276 /nfs/dbraw/zinc/64/22/76/1259642276.db2.gz QSKAINFEEBMQRJ-IRXDYDNUSA-N 2 1 365.474 0.397 20 0 FCADMP [NH3+]CCC[NH2+]CCC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011255 1259643779 /nfs/dbraw/zinc/64/37/79/1259643779.db2.gz UEULPRNQBYLMEZ-IRXDYDNUSA-N 3 1 368.432 0.425 20 0 FCADMP O[C@H](CNC1(Cc2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008379 1259643986 /nfs/dbraw/zinc/64/39/86/1259643986.db2.gz OZCLQMOGZDWXOI-SFHVURJKSA-N 2 1 365.493 0.946 20 0 FCADMP CCOC(=O)C1([NH3+])CCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246049026 1259645362 /nfs/dbraw/zinc/64/53/62/1259645362.db2.gz PWCGSPJMJZQJGM-JKSUJKDBSA-N 2 1 371.428 0.552 20 0 FCADMP O=c1ccc2c(n1CCN1CCOCC1)CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246157483 1259649416 /nfs/dbraw/zinc/64/94/16/1259649416.db2.gz OUTPXLPTWCTOAS-QZTJIDSGSA-N 2 1 360.502 0.379 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603286 1259656786 /nfs/dbraw/zinc/65/67/86/1259656786.db2.gz NPLRXEMMOCYBRZ-JYJNAYRXSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603286 1259656796 /nfs/dbraw/zinc/65/67/96/1259656796.db2.gz NPLRXEMMOCYBRZ-JYJNAYRXSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605580 1259657347 /nfs/dbraw/zinc/65/73/47/1259657347.db2.gz VGBGVZWWVKNHLU-PMPSAXMXSA-N 2 1 367.490 0.677 20 0 FCADMP COc1ccc(CN2CC[C@@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)CC2=O)cc1 ZINC001246624980 1259657831 /nfs/dbraw/zinc/65/78/31/1259657831.db2.gz DUQNNUOGXJPDCD-YLJYHZDGSA-N 2 1 358.486 0.824 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597371 1259658218 /nfs/dbraw/zinc/65/82/18/1259658218.db2.gz UNBGNXCRXDDVDH-FPXQBCRKSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CN[C@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682890 1259659331 /nfs/dbraw/zinc/65/93/31/1259659331.db2.gz OMXKWMKCGSYKDT-QXGSTGNESA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@]12CN([C@H]3C[NH2+][C@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682890 1259659349 /nfs/dbraw/zinc/65/93/49/1259659349.db2.gz OMXKWMKCGSYKDT-QXGSTGNESA-N 2 1 367.490 0.535 20 0 FCADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705048 1259663490 /nfs/dbraw/zinc/66/34/90/1259663490.db2.gz VRMXGKXZOBJAQX-HZPDHXFCSA-N 3 1 360.506 0.232 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246718238 1259668602 /nfs/dbraw/zinc/66/86/02/1259668602.db2.gz HELSZAKQCCNQKM-BDXSIMOUSA-N 2 1 371.485 0.137 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721559 1259668717 /nfs/dbraw/zinc/66/87/17/1259668717.db2.gz OHIBIZNOAYVSJQ-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721559 1259668726 /nfs/dbraw/zinc/66/87/26/1259668726.db2.gz OHIBIZNOAYVSJQ-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721559 1259668733 /nfs/dbraw/zinc/66/87/33/1259668733.db2.gz OHIBIZNOAYVSJQ-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721559 1259668740 /nfs/dbraw/zinc/66/87/40/1259668740.db2.gz OHIBIZNOAYVSJQ-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246728967 1259670389 /nfs/dbraw/zinc/67/03/89/1259670389.db2.gz VNQZYOAWKBFUDC-BRSBDYLESA-N 2 1 362.518 0.476 20 0 FCADMP O=C([C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745360 1259677568 /nfs/dbraw/zinc/67/75/68/1259677568.db2.gz HBXCHCPYGRGWIS-IAGOWNOFSA-N 2 1 362.518 0.431 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246751158 1259679174 /nfs/dbraw/zinc/67/91/74/1259679174.db2.gz HQTZSWNWMXAUSV-YDZRNGNQSA-N 2 1 374.485 0.508 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246751158 1259679178 /nfs/dbraw/zinc/67/91/78/1259679178.db2.gz HQTZSWNWMXAUSV-YDZRNGNQSA-N 2 1 374.485 0.508 20 0 FCADMP Cc1noc(C)c1CN1CCO[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246748441 1259680717 /nfs/dbraw/zinc/68/07/17/1259680717.db2.gz UDFBNHMAHIEUBI-NXHRZFHOSA-N 2 1 361.490 0.270 20 0 FCADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756789 1259681924 /nfs/dbraw/zinc/68/19/24/1259681924.db2.gz XSPMYXCQRKEAGR-XEIOYGOASA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756789 1259681935 /nfs/dbraw/zinc/68/19/35/1259681935.db2.gz XSPMYXCQRKEAGR-XEIOYGOASA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762721 1259683969 /nfs/dbraw/zinc/68/39/69/1259683969.db2.gz XVSSSFOPIHDRIE-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762721 1259683980 /nfs/dbraw/zinc/68/39/80/1259683980.db2.gz XVSSSFOPIHDRIE-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762563 1259684097 /nfs/dbraw/zinc/68/40/97/1259684097.db2.gz CRKOVUBSJOZCQY-YECZKDOJSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762723 1259684842 /nfs/dbraw/zinc/68/48/42/1259684842.db2.gz XVSSSFOPIHDRIE-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762723 1259684851 /nfs/dbraw/zinc/68/48/51/1259684851.db2.gz XVSSSFOPIHDRIE-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762620 1259685003 /nfs/dbraw/zinc/68/50/03/1259685003.db2.gz WQEMRSRBNAESPC-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762620 1259685019 /nfs/dbraw/zinc/68/50/19/1259685019.db2.gz WQEMRSRBNAESPC-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP c1ncn2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1ccccn1)C2 ZINC001246763386 1259685409 /nfs/dbraw/zinc/68/54/09/1259685409.db2.gz BWEGRHNYBQFKIJ-IAGOWNOFSA-N 2 1 368.485 0.883 20 0 FCADMP c1cnc(N2CCOC[C@@]3(CCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769755 1259685952 /nfs/dbraw/zinc/68/59/52/1259685952.db2.gz XZDLKLOCNPYQAD-PKOBYXMFSA-N 2 1 372.517 0.489 20 0 FCADMP Cn1cc(N2CC[C@]3(CCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768954 1259686136 /nfs/dbraw/zinc/68/61/36/1259686136.db2.gz CZPHAYVDRMAGDZ-YJBOKZPZSA-N 2 1 358.490 0.333 20 0 FCADMP O=C([C@@H]1C[C@@]2(CO1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774334 1259689054 /nfs/dbraw/zinc/68/90/54/1259689054.db2.gz MLFYWZIFRMMWKH-ZYGVUQDESA-N 2 1 363.502 0.999 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](n2cc(C(=O)N3CC[NH2+]CC3)c3ccccc32)C[NH2+]1 ZINC001246800568 1259691399 /nfs/dbraw/zinc/69/13/99/1259691399.db2.gz FJFNLKQYUGMSFV-CJNGLKHVSA-N 2 1 356.426 0.763 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@H]1C2 ZINC001246868808 1259692392 /nfs/dbraw/zinc/69/23/92/1259692392.db2.gz LUGCLJYRGYCMRH-NHJAOSELSA-N 3 1 363.502 0.618 20 0 FCADMP O=C1[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246856114 1259693732 /nfs/dbraw/zinc/69/37/32/1259693732.db2.gz YBJOCYVYIQZPER-ZACQAIPSSA-N 2 1 354.454 0.197 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4C[NH2+]CC[C@@H]4O)n3)c2)CC1 ZINC001247754555 1259704139 /nfs/dbraw/zinc/70/41/39/1259704139.db2.gz ANMUKWYDIVCWQQ-SJORKVTESA-N 2 1 357.458 0.922 20 0 FCADMP C[NH+]1CCN(c2cccc(-c3noc(CN4CC[NH2+]CC4=O)n3)c2)CC1 ZINC001247710193 1259705173 /nfs/dbraw/zinc/70/51/73/1259705173.db2.gz UUQBWOOIFAHTNV-UHFFFAOYSA-N 2 1 356.430 0.420 20 0 FCADMP c1cc(-c2noc([C@@]34C[NH2+]C[C@H]3CCN4)n2)ccc1C[NH+]1CCOCC1 ZINC001247838124 1259707725 /nfs/dbraw/zinc/70/77/25/1259707725.db2.gz SEOKFRIZCXITRV-VQIMIIECSA-N 2 1 355.442 0.977 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(CC[C@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001249287126 1259721730 /nfs/dbraw/zinc/72/17/30/1259721730.db2.gz DVAOUJBXTQUNRM-HNNXBMFYSA-N 2 1 358.446 0.229 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016578 1259730149 /nfs/dbraw/zinc/73/01/49/1259730149.db2.gz XVLQBACUJVUOFT-AQNXPRMDSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016578 1259730156 /nfs/dbraw/zinc/73/01/56/1259730156.db2.gz XVLQBACUJVUOFT-AQNXPRMDSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016578 1259730162 /nfs/dbraw/zinc/73/01/62/1259730162.db2.gz XVLQBACUJVUOFT-AQNXPRMDSA-N 2 1 367.534 0.360 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC001251048010 1259735601 /nfs/dbraw/zinc/73/56/01/1259735601.db2.gz AFBXRTDXVBJQSL-VAMGGRTRSA-N 2 1 363.502 0.559 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC001251048010 1259735607 /nfs/dbraw/zinc/73/56/07/1259735607.db2.gz AFBXRTDXVBJQSL-VAMGGRTRSA-N 2 1 363.502 0.559 20 0 FCADMP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001251058318 1259735646 /nfs/dbraw/zinc/73/56/46/1259735646.db2.gz UJDWFCCORSWEJC-UHFFFAOYSA-N 2 1 369.506 0.567 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252925425 1259814092 /nfs/dbraw/zinc/81/40/92/1259814092.db2.gz KEHHAUYNIBRWDB-HMXCVIKNSA-N 2 1 373.497 0.850 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252925425 1259814100 /nfs/dbraw/zinc/81/41/00/1259814100.db2.gz KEHHAUYNIBRWDB-HMXCVIKNSA-N 2 1 373.497 0.850 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252925425 1259814106 /nfs/dbraw/zinc/81/41/06/1259814106.db2.gz KEHHAUYNIBRWDB-HMXCVIKNSA-N 2 1 373.497 0.850 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252925425 1259814112 /nfs/dbraw/zinc/81/41/12/1259814112.db2.gz KEHHAUYNIBRWDB-HMXCVIKNSA-N 2 1 373.497 0.850 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001253037930 1259819017 /nfs/dbraw/zinc/81/90/17/1259819017.db2.gz HRTAIUXIFIHOPK-IBGZPJMESA-N 2 1 365.518 0.794 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001253185400 1259826640 /nfs/dbraw/zinc/82/66/40/1259826640.db2.gz QNQZHUPJBRWVTE-ZIFCJYIRSA-N 2 1 371.522 0.417 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001253185398 1259827649 /nfs/dbraw/zinc/82/76/49/1259827649.db2.gz QNQZHUPJBRWVTE-JENIJYKNSA-N 2 1 371.522 0.417 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253182956 1259828035 /nfs/dbraw/zinc/82/80/35/1259828035.db2.gz WDUSKIFITCIXJY-TVFCKZIOSA-N 2 1 369.506 0.438 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186207 1259829237 /nfs/dbraw/zinc/82/92/37/1259829237.db2.gz MGKZTDGTFIXELX-PKOBYXMFSA-N 2 1 361.490 0.998 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186207 1259829243 /nfs/dbraw/zinc/82/92/43/1259829243.db2.gz MGKZTDGTFIXELX-PKOBYXMFSA-N 2 1 361.490 0.998 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185884 1259829425 /nfs/dbraw/zinc/82/94/25/1259829425.db2.gz JOKHSZRZNKALRT-IEBWSBKVSA-N 2 1 363.506 0.942 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185884 1259829426 /nfs/dbraw/zinc/82/94/26/1259829426.db2.gz JOKHSZRZNKALRT-IEBWSBKVSA-N 2 1 363.506 0.942 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001253864355 1259859632 /nfs/dbraw/zinc/85/96/32/1259859632.db2.gz TWWJLYHVKXURGE-RTBURBONSA-N 2 1 365.566 0.498 20 0 FCADMP CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001254012828 1259868573 /nfs/dbraw/zinc/86/85/73/1259868573.db2.gz LFECUUWRUIAHCO-QGZVFWFLSA-N 2 1 370.490 0.480 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC001254040166 1259869021 /nfs/dbraw/zinc/86/90/21/1259869021.db2.gz QQGAHLGBKWLNLG-SFHVURJKSA-N 2 1 361.486 0.803 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[N@H+]([C@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523858 1259890138 /nfs/dbraw/zinc/89/01/38/1259890138.db2.gz SBRWPDMUQWIVBQ-WNRNVDISSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[NH+]([C@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523858 1259890148 /nfs/dbraw/zinc/89/01/48/1259890148.db2.gz SBRWPDMUQWIVBQ-WNRNVDISSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[NH+]([C@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523858 1259890155 /nfs/dbraw/zinc/89/01/55/1259890155.db2.gz SBRWPDMUQWIVBQ-WNRNVDISSA-N 2 1 361.490 0.866 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[NH+](C)CC1)CC2 ZINC001254523655 1259890432 /nfs/dbraw/zinc/89/04/32/1259890432.db2.gz UYDQUFOILBQYJA-KRWDZBQOSA-N 2 1 360.502 0.821 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254523655 1259890438 /nfs/dbraw/zinc/89/04/38/1259890438.db2.gz UYDQUFOILBQYJA-KRWDZBQOSA-N 2 1 360.502 0.821 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254523655 1259890443 /nfs/dbraw/zinc/89/04/43/1259890443.db2.gz UYDQUFOILBQYJA-KRWDZBQOSA-N 2 1 360.502 0.821 20 0 FCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)[C@H]2CC[N@@H+](C)C2)C1 ZINC001255424653 1259911230 /nfs/dbraw/zinc/91/12/30/1259911230.db2.gz ZKRVZRFIJXOUTL-UXJCHEOYSA-N 3 1 372.554 0.460 20 0 FCADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001255951771 1259928920 /nfs/dbraw/zinc/92/89/20/1259928920.db2.gz ATPOJUNFYBATAH-CAOSSQGBSA-N 2 1 368.478 0.616 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CC[NH+](CC(C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001258020442 1260033202 /nfs/dbraw/zinc/03/32/02/1260033202.db2.gz TXPLTJORSQOHGH-GOSISDBHSA-N 2 1 364.534 0.975 20 0 FCADMP COC(=O)CC[C@H](C)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001258373215 1260046629 /nfs/dbraw/zinc/04/66/29/1260046629.db2.gz VIRZPWRKFPRXNC-INIZCTEOSA-N 2 1 369.506 0.831 20 0 FCADMP COC(=O)CC[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001258373215 1260046638 /nfs/dbraw/zinc/04/66/38/1260046638.db2.gz VIRZPWRKFPRXNC-INIZCTEOSA-N 2 1 369.506 0.831 20 0 FCADMP O=C(N1CCOCC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001336277971 1260065154 /nfs/dbraw/zinc/06/51/54/1260065154.db2.gz UQRCTYJBBXGJLQ-MRXNPFEDSA-N 2 1 352.479 0.215 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001261381018 1260129365 /nfs/dbraw/zinc/12/93/65/1260129365.db2.gz WNWPAJFISVZWOE-JXFKEZNVSA-N 2 1 360.502 0.987 20 0 FCADMP O=C(NCc1nnc2n1CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336740261 1260211187 /nfs/dbraw/zinc/21/11/87/1260211187.db2.gz UNRBHTVBCYYPKY-IYBDPMFKSA-N 2 1 373.505 0.725 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825777 1260231280 /nfs/dbraw/zinc/23/12/80/1260231280.db2.gz HYFWOAZNEIBEKU-YOEHRIQHSA-N 2 1 371.428 0.767 20 0 FCADMP COCc1ncc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827015 1260231676 /nfs/dbraw/zinc/23/16/76/1260231676.db2.gz PIWYNGVWPPEALF-LJQANCHMSA-N 2 1 357.458 0.932 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001262033850 1260249097 /nfs/dbraw/zinc/24/90/97/1260249097.db2.gz KWHRQXKCJUPWTO-ZMSDIMECSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001262033850 1260249101 /nfs/dbraw/zinc/24/91/01/1260249101.db2.gz KWHRQXKCJUPWTO-ZMSDIMECSA-N 2 1 362.474 0.246 20 0 FCADMP [NH3+]C1CCN(CCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001336905694 1260249503 /nfs/dbraw/zinc/24/95/03/1260249503.db2.gz CGKDDUAVGONXTH-IAGOWNOFSA-N 2 1 365.522 0.352 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001336907236 1260250963 /nfs/dbraw/zinc/25/09/63/1260250963.db2.gz HIVFBKGREUOKQC-UHFFFAOYSA-N 2 1 352.479 0.437 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC001336943571 1260262962 /nfs/dbraw/zinc/26/29/62/1260262962.db2.gz YCYKIWVTFXPBML-IAGOWNOFSA-N 2 1 355.527 0.158 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(CO)CC1 ZINC001337103860 1260309370 /nfs/dbraw/zinc/30/93/70/1260309370.db2.gz CYOGXXZZIQXPMM-SFHVURJKSA-N 2 1 354.539 0.565 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001337103860 1260309377 /nfs/dbraw/zinc/30/93/77/1260309377.db2.gz CYOGXXZZIQXPMM-SFHVURJKSA-N 3 1 354.539 0.565 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001337103860 1260309385 /nfs/dbraw/zinc/30/93/85/1260309385.db2.gz CYOGXXZZIQXPMM-SFHVURJKSA-N 3 1 354.539 0.565 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001337158629 1260325046 /nfs/dbraw/zinc/32/50/46/1260325046.db2.gz OVTUGDPAWPAGKQ-KRWDZBQOSA-N 2 1 353.507 0.793 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001262568038 1260327464 /nfs/dbraw/zinc/32/74/64/1260327464.db2.gz KFMXNAGWASJMJD-KRWDZBQOSA-N 2 1 360.506 0.974 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC001337387444 1260386983 /nfs/dbraw/zinc/38/69/83/1260386983.db2.gz NJWMSJOLPTYSFX-JONQDZQNSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001337440557 1260402113 /nfs/dbraw/zinc/40/21/13/1260402113.db2.gz IBMSKOUUBZWAPB-DDBAPUKQSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001337440557 1260402117 /nfs/dbraw/zinc/40/21/17/1260402117.db2.gz IBMSKOUUBZWAPB-DDBAPUKQSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001337440560 1260402404 /nfs/dbraw/zinc/40/24/04/1260402404.db2.gz IBMSKOUUBZWAPB-VDHUWJSZSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001337440560 1260402406 /nfs/dbraw/zinc/40/24/06/1260402406.db2.gz IBMSKOUUBZWAPB-VDHUWJSZSA-N 2 1 374.485 0.246 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001272623447 1260464693 /nfs/dbraw/zinc/46/46/93/1260464693.db2.gz HETPHZGNVDXKGM-AUUYWEPGSA-N 2 1 359.474 0.504 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001272744462 1260496061 /nfs/dbraw/zinc/49/60/61/1260496061.db2.gz GHNHYWSHXOWPFD-IAGOWNOFSA-N 2 1 360.502 0.626 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001272825144 1260512592 /nfs/dbraw/zinc/51/25/92/1260512592.db2.gz OBKUEUURTQHIIJ-XSLAGTTESA-N 2 1 360.502 0.767 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@H]2CCCC[N@H+]2C)C3)CC1 ZINC001273136541 1260600192 /nfs/dbraw/zinc/60/01/92/1260600192.db2.gz DJPQXRXLENYTOB-IAGOWNOFSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCCC3)C[C@H]21 ZINC001273141771 1260606102 /nfs/dbraw/zinc/60/61/02/1260606102.db2.gz SWVKENURBNLUGQ-OTWHNJEPSA-N 2 1 364.534 0.867 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001273140512 1260607096 /nfs/dbraw/zinc/60/70/96/1260607096.db2.gz IWVYOMBHUDIKGY-OTWHNJEPSA-N 2 1 364.534 0.867 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249679 1260634704 /nfs/dbraw/zinc/63/47/04/1260634704.db2.gz YVUMYGVVVBIGBD-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183991 1260686673 /nfs/dbraw/zinc/68/66/73/1260686673.db2.gz UWGHWHNNKNLLBI-WOJBJXKFSA-N 2 1 366.550 0.973 20 0 FCADMP O=C1CC[C@H](C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472464 1260695683 /nfs/dbraw/zinc/69/56/83/1260695683.db2.gz NMLVXHUGTDMRJB-DJIMGWMZSA-N 2 1 360.502 0.720 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@@H]2C1 ZINC001278508684 1260702687 /nfs/dbraw/zinc/70/26/87/1260702687.db2.gz YVEVMIMREHDKGS-HZPDHXFCSA-N 2 1 360.458 0.380 20 0 FCADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccn(C)c(=O)c1 ZINC001279045149 1260782332 /nfs/dbraw/zinc/78/23/32/1260782332.db2.gz QISXUGQTJNROCF-NVXWUHKLSA-N 2 1 364.490 0.290 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccn(C)c(=O)c1 ZINC001279045149 1260782336 /nfs/dbraw/zinc/78/23/36/1260782336.db2.gz QISXUGQTJNROCF-NVXWUHKLSA-N 2 1 364.490 0.290 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccn(C)c(=O)c1 ZINC001279045149 1260782338 /nfs/dbraw/zinc/78/23/38/1260782338.db2.gz QISXUGQTJNROCF-NVXWUHKLSA-N 2 1 364.490 0.290 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279256809 1260813791 /nfs/dbraw/zinc/81/37/91/1260813791.db2.gz JPBPGRGLNUWIHD-JVPBZIDWSA-N 2 1 360.502 0.816 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@@H]2C1 ZINC001279309949 1260834695 /nfs/dbraw/zinc/83/46/95/1260834695.db2.gz QCMMBDWFJCCUTK-IAGOWNOFSA-N 2 1 362.474 0.648 20 0 FCADMP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)c[nH]1 ZINC001279320972 1260837141 /nfs/dbraw/zinc/83/71/41/1260837141.db2.gz CRGCSCHYKGDBNP-GJZGRUSLSA-N 2 1 360.458 0.834 20 0 FCADMP O=C1NC2(CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279468602 1260874886 /nfs/dbraw/zinc/87/48/86/1260874886.db2.gz WTTCYPNBUKWHAC-GVDBMIGSSA-N 2 1 359.474 0.601 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CN(C(=O)c4ncnn4C)C[C@@H](C2)O3)CC1 ZINC001279499158 1260879969 /nfs/dbraw/zinc/87/99/69/1260879969.db2.gz VSUYEWNFLHRRQP-IYBDPMFKSA-N 2 1 362.478 0.072 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1CCC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279500953 1260880946 /nfs/dbraw/zinc/88/09/46/1260880946.db2.gz AARDFKGCMYDVTR-INIZCTEOSA-N 2 1 358.486 0.875 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279500953 1260880952 /nfs/dbraw/zinc/88/09/52/1260880952.db2.gz AARDFKGCMYDVTR-INIZCTEOSA-N 2 1 358.486 0.875 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279500953 1260880958 /nfs/dbraw/zinc/88/09/58/1260880958.db2.gz AARDFKGCMYDVTR-INIZCTEOSA-N 2 1 358.486 0.875 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CC[NH2+]CC4)CC3)[C@H]2C1 ZINC001279614831 1260899289 /nfs/dbraw/zinc/89/92/89/1260899289.db2.gz FYRKCAUMKQYBDU-ROUUACIJSA-N 3 1 363.550 0.060 20 0 FCADMP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@@H]21 ZINC001279619396 1260901977 /nfs/dbraw/zinc/90/19/77/1260901977.db2.gz AJPJJCYCMYHGHH-HOTGVXAUSA-N 2 1 362.478 0.072 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cnccn4)CC3)[C@H]2C1 ZINC001279623937 1260903973 /nfs/dbraw/zinc/90/39/73/1260903973.db2.gz GLYSPBHDUZOZQR-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cnccn4)CC3)[C@H]2C1 ZINC001279623937 1260903977 /nfs/dbraw/zinc/90/39/77/1260903977.db2.gz GLYSPBHDUZOZQR-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001279842754 1260941404 /nfs/dbraw/zinc/94/14/04/1260941404.db2.gz DHAGMTYLVLDZJN-MUJYYYPQSA-N 2 1 361.494 0.983 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2ccnnc2)C3)cn1 ZINC001279858780 1260944736 /nfs/dbraw/zinc/94/47/36/1260944736.db2.gz ACOHTKNPSVNGLD-CRAIPNDOSA-N 2 1 355.446 0.695 20 0 FCADMP CCOC(=O)CC[N@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280091035 1260998383 /nfs/dbraw/zinc/99/83/83/1260998383.db2.gz DCPQREXQYYJKDF-UHFFFAOYSA-N 2 1 364.446 0.810 20 0 FCADMP Cn1c[nH+]cc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280121212 1261009485 /nfs/dbraw/zinc/00/94/85/1261009485.db2.gz XCUOOFKWVQNWOU-HZPDHXFCSA-N 2 1 354.458 0.965 20 0 FCADMP O=C(C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12)N1Cc2cncnc2C1 ZINC001280134919 1261013145 /nfs/dbraw/zinc/01/31/45/1261013145.db2.gz HAEGUGMPHZGHFJ-GOEBONIOSA-N 2 1 356.430 0.005 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC2(C[NH+](CCC3CC[NH+](C)CC3)C2)O1 ZINC001280139986 1261014024 /nfs/dbraw/zinc/01/40/24/1261014024.db2.gz GZTROMQDKLNUAP-AWEZNQCLSA-N 2 1 363.466 0.114 20 0 FCADMP CC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280160435 1261017257 /nfs/dbraw/zinc/01/72/57/1261017257.db2.gz LJDRMOFZLMEOLZ-XIRDDKMYSA-N 2 1 359.474 0.373 20 0 FCADMP CC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001280160435 1261017264 /nfs/dbraw/zinc/01/72/64/1261017264.db2.gz LJDRMOFZLMEOLZ-XIRDDKMYSA-N 2 1 359.474 0.373 20 0 FCADMP CC(=O)NCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169968 1261020115 /nfs/dbraw/zinc/02/01/15/1261020115.db2.gz OALUYELIYHMUBI-QUCCMNQESA-N 2 1 362.518 0.921 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280212361 1261034506 /nfs/dbraw/zinc/03/45/06/1261034506.db2.gz AXOBVXINQQUEKT-HRCADAONSA-N 2 1 359.474 0.291 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280212361 1261034511 /nfs/dbraw/zinc/03/45/11/1261034511.db2.gz AXOBVXINQQUEKT-HRCADAONSA-N 2 1 359.474 0.291 20 0 FCADMP CCNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215142 1261036371 /nfs/dbraw/zinc/03/63/71/1261036371.db2.gz KWGSYAIFJJETJD-XLIONFOSSA-N 2 1 362.518 0.921 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280221688 1261038718 /nfs/dbraw/zinc/03/87/18/1261038718.db2.gz ZWLIZJOMJGZUCD-IAGOWNOFSA-N 2 1 368.522 0.071 20 0 FCADMP CNc1nccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CCC([NH+](C)C)CC3)C2)n1 ZINC001280291211 1261049661 /nfs/dbraw/zinc/04/96/61/1261049661.db2.gz WGTRYGJNWOWDRH-AUUYWEPGSA-N 2 1 358.490 0.893 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001281848953 1261232164 /nfs/dbraw/zinc/23/21/64/1261232164.db2.gz YRELWMFZVVAWNC-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1OC ZINC001281848953 1261232169 /nfs/dbraw/zinc/23/21/69/1261232169.db2.gz YRELWMFZVVAWNC-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC001281848953 1261232176 /nfs/dbraw/zinc/23/21/76/1261232176.db2.gz YRELWMFZVVAWNC-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1OC ZINC001281857999 1261238577 /nfs/dbraw/zinc/23/85/77/1261238577.db2.gz XSTBQMFHXDSITA-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1OC ZINC001281857999 1261238580 /nfs/dbraw/zinc/23/85/80/1261238580.db2.gz XSTBQMFHXDSITA-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533797 1261473010 /nfs/dbraw/zinc/47/30/10/1261473010.db2.gz BKYGIDMPBVNDBL-WMZOPIPTSA-N 2 1 371.485 0.673 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533792 1261473135 /nfs/dbraw/zinc/47/31/35/1261473135.db2.gz BKYGIDMPBVNDBL-AEFFLSMTSA-N 2 1 371.485 0.673 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001332510953 1266419597 /nfs/dbraw/zinc/41/95/97/1266419597.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 2 1 364.542 0.620 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001332510953 1266419598 /nfs/dbraw/zinc/41/95/98/1266419598.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 2 1 364.542 0.620 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001332510953 1266419600 /nfs/dbraw/zinc/41/96/00/1266419600.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 2 1 364.542 0.620 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001332510953 1266419602 /nfs/dbraw/zinc/41/96/02/1266419602.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 2 1 364.542 0.620 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001332510953 1266419603 /nfs/dbraw/zinc/41/96/03/1266419603.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 2 1 364.542 0.620 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001345133701 1261640129 /nfs/dbraw/zinc/64/01/29/1261640129.db2.gz RHERXLMUZVDCGY-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CCN(C)C[C@H]3C[NH3+])c2)CC1 ZINC001345140869 1261640569 /nfs/dbraw/zinc/64/05/69/1261640569.db2.gz ILYKUHOMMMTWSV-LJQANCHMSA-N 2 1 374.533 0.218 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321093 1278122260 /nfs/dbraw/zinc/12/22/60/1278122260.db2.gz UFXUWDKPPWOCJW-XJKCOSOUSA-N 2 1 370.461 0.284 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859046 1262359334 /nfs/dbraw/zinc/35/93/34/1262359334.db2.gz KMXJEEVMBQSBDL-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859046 1262359337 /nfs/dbraw/zinc/35/93/37/1262359337.db2.gz KMXJEEVMBQSBDL-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859046 1262359342 /nfs/dbraw/zinc/35/93/42/1262359342.db2.gz KMXJEEVMBQSBDL-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001290533691 1262465706 /nfs/dbraw/zinc/46/57/06/1262465706.db2.gz GJSBAXHLCJRBTH-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304849592 1263151880 /nfs/dbraw/zinc/15/18/80/1263151880.db2.gz DSRNCRMCTGGAPP-GDBMZVCRSA-N 2 1 363.510 0.279 20 0 FCADMP CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001313400606 1263315187 /nfs/dbraw/zinc/31/51/87/1263315187.db2.gz FDJFBEBEOUSDSG-LJQANCHMSA-N 2 1 368.522 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001316614487 1263385755 /nfs/dbraw/zinc/38/57/55/1263385755.db2.gz GPODCCOWTFOYBR-VVLHAWIVSA-N 2 1 367.538 0.909 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385673 1278207356 /nfs/dbraw/zinc/20/73/56/1278207356.db2.gz BFFBUJBFAWULEC-MGPQQGTHSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385673 1278207361 /nfs/dbraw/zinc/20/73/61/1278207361.db2.gz BFFBUJBFAWULEC-MGPQQGTHSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001496707322 1263888589 /nfs/dbraw/zinc/88/85/89/1263888589.db2.gz PLLOFLJJFNBZNT-NVXWUHKLSA-N 2 1 364.490 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001496707322 1263888603 /nfs/dbraw/zinc/88/86/03/1263888603.db2.gz PLLOFLJJFNBZNT-NVXWUHKLSA-N 2 1 364.490 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N(C)Cc2ccco2)CC[NH+]1C ZINC001496707322 1263888612 /nfs/dbraw/zinc/88/86/12/1263888612.db2.gz PLLOFLJJFNBZNT-NVXWUHKLSA-N 2 1 364.490 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N(C)Cc2ccco2)CC[NH+]1C ZINC001496707322 1263888619 /nfs/dbraw/zinc/88/86/19/1263888619.db2.gz PLLOFLJJFNBZNT-NVXWUHKLSA-N 2 1 364.490 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)CC[N@H+]1C ZINC001496978513 1263906180 /nfs/dbraw/zinc/90/61/80/1263906180.db2.gz FGDUXVNYEGGSGA-ZTFGCOKTSA-N 2 1 363.506 0.905 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)[C@@H](c2ccccc2)C1 ZINC001497058368 1263914605 /nfs/dbraw/zinc/91/46/05/1263914605.db2.gz UYTSWNMJGIHHLF-KSZLIROESA-N 2 1 369.469 0.389 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)[C@@H](c2ccccc2)C1 ZINC001497058368 1263914610 /nfs/dbraw/zinc/91/46/10/1263914610.db2.gz UYTSWNMJGIHHLF-KSZLIROESA-N 2 1 369.469 0.389 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001321316382 1263935229 /nfs/dbraw/zinc/93/52/29/1263935229.db2.gz FURNWSYVENRSHJ-MRXNPFEDSA-N 2 1 364.465 0.784 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC001321507228 1263978698 /nfs/dbraw/zinc/97/86/98/1263978698.db2.gz CILCYOAZDNYJHS-XHSDSOJGSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC001321507228 1263978704 /nfs/dbraw/zinc/97/87/04/1263978704.db2.gz CILCYOAZDNYJHS-XHSDSOJGSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC001321507224 1263978809 /nfs/dbraw/zinc/97/88/09/1263978809.db2.gz CILCYOAZDNYJHS-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001322598950 1264227244 /nfs/dbraw/zinc/22/72/44/1264227244.db2.gz WGDLITDUYNYUEI-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001322688905 1264242757 /nfs/dbraw/zinc/24/27/57/1264242757.db2.gz RGASESAVHXDASR-IRXDYDNUSA-N 2 1 366.506 0.299 20 0 FCADMP COCC1=CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001322993745 1264310559 /nfs/dbraw/zinc/31/05/59/1264310559.db2.gz OGUQFVARHLAJAT-INIZCTEOSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC[NH+]1CCOCC1 ZINC001580402066 1278228448 /nfs/dbraw/zinc/22/84/48/1278228448.db2.gz FEDLVXBEWJNZEN-CQSZACIVSA-N 2 1 373.461 0.183 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C2 ZINC001323890749 1264535005 /nfs/dbraw/zinc/53/50/05/1264535005.db2.gz CSELMUIFBKRNFE-OAHLLOKOSA-N 2 1 361.490 0.813 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001324269367 1264607457 /nfs/dbraw/zinc/60/74/57/1264607457.db2.gz ZRJHGXGKFVWBLF-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC001326115546 1265060324 /nfs/dbraw/zinc/06/03/24/1265060324.db2.gz HSFADRWXEVWULA-SFHVURJKSA-N 2 1 361.490 0.222 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](O)c3cnn(C)c3)CC2)CC1 ZINC001326353383 1265097554 /nfs/dbraw/zinc/09/75/54/1265097554.db2.gz JDENFQVDZZGZBB-GOSISDBHSA-N 2 1 363.506 0.766 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326421803 1265111968 /nfs/dbraw/zinc/11/19/68/1265111968.db2.gz WUVBHQZKPFWQOH-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326421803 1265111974 /nfs/dbraw/zinc/11/19/74/1265111974.db2.gz WUVBHQZKPFWQOH-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001513581792 1265230994 /nfs/dbraw/zinc/23/09/94/1265230994.db2.gz AAUVWMAELBCZDO-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001513581792 1265231006 /nfs/dbraw/zinc/23/10/06/1265231006.db2.gz AAUVWMAELBCZDO-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1O ZINC001513581792 1265231017 /nfs/dbraw/zinc/23/10/17/1265231017.db2.gz AAUVWMAELBCZDO-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001514020297 1265315885 /nfs/dbraw/zinc/31/58/85/1265315885.db2.gz KYUSRFDXIRTVSD-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001514020297 1265315896 /nfs/dbraw/zinc/31/58/96/1265315896.db2.gz KYUSRFDXIRTVSD-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@H]21 ZINC001514019731 1265316251 /nfs/dbraw/zinc/31/62/51/1265316251.db2.gz IIRXJSUVLWTOKV-ZMSDIMECSA-N 2 1 361.490 0.989 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574108 1266432508 /nfs/dbraw/zinc/43/25/08/1266432508.db2.gz SIEFMBYCGFRACT-BZSNNMDCSA-N 2 1 367.538 0.694 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001528216804 1266955761 /nfs/dbraw/zinc/95/57/61/1266955761.db2.gz RSIIDENKHYPMNN-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001528216804 1266955770 /nfs/dbraw/zinc/95/57/70/1266955770.db2.gz RSIIDENKHYPMNN-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001531983863 1267156616 /nfs/dbraw/zinc/15/66/16/1267156616.db2.gz UTHVEYZWPUYCNZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001531983863 1267156622 /nfs/dbraw/zinc/15/66/22/1267156622.db2.gz UTHVEYZWPUYCNZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580448396 1278314608 /nfs/dbraw/zinc/31/46/08/1278314608.db2.gz SJPTVSTVQJCQQD-IHRRRGAJSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580448396 1278314620 /nfs/dbraw/zinc/31/46/20/1278314620.db2.gz SJPTVSTVQJCQQD-IHRRRGAJSA-N 2 1 370.461 0.687 20 0 FCADMP Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001543292979 1267539670 /nfs/dbraw/zinc/53/96/70/1267539670.db2.gz INUIWETZVJJESH-OAHLLOKOSA-N 2 1 360.510 0.982 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3[N@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC001548998237 1267785206 /nfs/dbraw/zinc/78/52/06/1267785206.db2.gz UJPVBCHESYDOQR-RCCFBDPRSA-N 2 1 373.501 0.551 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])cn1 ZINC001549033509 1267793215 /nfs/dbraw/zinc/79/32/15/1267793215.db2.gz OVDNCJRALOEKRJ-FHWLQOOXSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])cn1 ZINC001549033509 1267793221 /nfs/dbraw/zinc/79/32/21/1267793221.db2.gz OVDNCJRALOEKRJ-FHWLQOOXSA-N 2 1 369.469 0.574 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC001549140505 1267821681 /nfs/dbraw/zinc/82/16/81/1267821681.db2.gz ZXGCILHBXLVKIT-DOTOQJQBSA-N 2 1 366.506 0.014 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC001549762224 1267992974 /nfs/dbraw/zinc/99/29/74/1267992974.db2.gz KXVGCDHKOKFNBN-APWZRJJASA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC001549762224 1267992981 /nfs/dbraw/zinc/99/29/81/1267992981.db2.gz KXVGCDHKOKFNBN-APWZRJJASA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC001549762224 1267992989 /nfs/dbraw/zinc/99/29/89/1267992989.db2.gz KXVGCDHKOKFNBN-APWZRJJASA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC001549762224 1267992993 /nfs/dbraw/zinc/99/29/93/1267992993.db2.gz KXVGCDHKOKFNBN-APWZRJJASA-N 2 1 361.490 0.545 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704218 1268052788 /nfs/dbraw/zinc/05/27/88/1268052788.db2.gz MTHXPGADVIOLEP-RHSMWYFYSA-N 2 1 350.463 0.409 20 0 FCADMP CC(C)n1cc([C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001550133181 1268080565 /nfs/dbraw/zinc/08/05/65/1268080565.db2.gz NWODSOIFAYIEGN-AEFFLSMTSA-N 2 1 363.506 0.682 20 0 FCADMP CC(C)n1cc([C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001550133181 1268080575 /nfs/dbraw/zinc/08/05/75/1268080575.db2.gz NWODSOIFAYIEGN-AEFFLSMTSA-N 2 1 363.506 0.682 20 0 FCADMP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001550266124 1268100326 /nfs/dbraw/zinc/10/03/26/1268100326.db2.gz SJQNKLZNZIHTFW-WBVHZDCISA-N 2 1 352.479 0.119 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[N@@H+](C)C1 ZINC001550284096 1268103942 /nfs/dbraw/zinc/10/39/42/1268103942.db2.gz WPTIBACBVAXERB-BZUAXINKSA-N 2 1 354.495 0.506 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485831 1268127635 /nfs/dbraw/zinc/12/76/35/1268127635.db2.gz DQEPRAWNCFOCFU-MCIQLKMHSA-N 2 1 353.507 0.428 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485831 1268127637 /nfs/dbraw/zinc/12/76/37/1268127637.db2.gz DQEPRAWNCFOCFU-MCIQLKMHSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485831 1268127641 /nfs/dbraw/zinc/12/76/41/1268127641.db2.gz DQEPRAWNCFOCFU-MCIQLKMHSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485831 1268127643 /nfs/dbraw/zinc/12/76/43/1268127643.db2.gz DQEPRAWNCFOCFU-MCIQLKMHSA-N 2 1 353.507 0.428 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC001550730757 1268157999 /nfs/dbraw/zinc/15/79/99/1268157999.db2.gz IKECPOVXCVZMOT-HOTGVXAUSA-N 2 1 352.479 0.261 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC(=O)N[C@@H]2C1 ZINC001550744310 1268160313 /nfs/dbraw/zinc/16/03/13/1268160313.db2.gz XAZDQBOFQYAJPT-QBPKDAKJSA-N 2 1 357.458 0.004 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2F)C1 ZINC001550752718 1268162030 /nfs/dbraw/zinc/16/20/30/1268162030.db2.gz VRBABNAVJMSNEF-BRWVUGGUSA-N 2 1 350.438 0.805 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2F)C1 ZINC001550752718 1268162034 /nfs/dbraw/zinc/16/20/34/1268162034.db2.gz VRBABNAVJMSNEF-BRWVUGGUSA-N 2 1 350.438 0.805 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001550755343 1268163124 /nfs/dbraw/zinc/16/31/24/1268163124.db2.gz HKXBSISZLABTFU-QBPKDAKJSA-N 2 1 368.522 0.942 20 0 FCADMP C[NH+]1CCCC[C@H]1CNC(=O)CSCC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339153245 1268177095 /nfs/dbraw/zinc/17/70/95/1268177095.db2.gz PDCCVSRQSADDHS-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP C[NH+]1CCCC[C@@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339153245 1268177101 /nfs/dbraw/zinc/17/71/01/1268177101.db2.gz PDCCVSRQSADDHS-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP C[NH+]1CCCC[C@@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339153245 1268177103 /nfs/dbraw/zinc/17/71/03/1268177103.db2.gz PDCCVSRQSADDHS-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980911 1268189713 /nfs/dbraw/zinc/18/97/13/1268189713.db2.gz SKYUHVKHZZRSFE-BRWVUGGUSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[N@H+](C)C1 ZINC001550980911 1268189718 /nfs/dbraw/zinc/18/97/18/1268189718.db2.gz SKYUHVKHZZRSFE-BRWVUGGUSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[N@@H+](C)C1 ZINC001550980911 1268189720 /nfs/dbraw/zinc/18/97/20/1268189720.db2.gz SKYUHVKHZZRSFE-BRWVUGGUSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980913 1268189932 /nfs/dbraw/zinc/18/99/32/1268189932.db2.gz SKYUHVKHZZRSFE-IXDOHACOSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[N@H+](C)C1 ZINC001550980913 1268189936 /nfs/dbraw/zinc/18/99/36/1268189936.db2.gz SKYUHVKHZZRSFE-IXDOHACOSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[N@@H+](C)C1 ZINC001550980913 1268189939 /nfs/dbraw/zinc/18/99/39/1268189939.db2.gz SKYUHVKHZZRSFE-IXDOHACOSA-N 2 1 354.495 0.600 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001551099960 1268205316 /nfs/dbraw/zinc/20/53/16/1268205316.db2.gz KLTNRBPSSPTJSJ-OKYOBFRVSA-N 2 1 365.518 0.791 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551542341 1268264876 /nfs/dbraw/zinc/26/48/76/1268264876.db2.gz BQRHJOYQKMLPJI-QHSBEEBCSA-N 2 1 362.396 0.691 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558801 1268269638 /nfs/dbraw/zinc/26/96/38/1268269638.db2.gz ZZGHDCKRVWYHKF-WBVHZDCISA-N 2 1 365.522 0.759 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558794 1268270254 /nfs/dbraw/zinc/27/02/54/1268270254.db2.gz ZZGHDCKRVWYHKF-DOTOQJQBSA-N 2 1 365.522 0.759 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551573479 1268274319 /nfs/dbraw/zinc/27/43/19/1268274319.db2.gz WPEXEXJTEZOHMR-ZOBUZTSGSA-N 2 1 351.495 0.417 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551578215 1268276374 /nfs/dbraw/zinc/27/63/74/1268276374.db2.gz MKYMQPZVTMQOMD-UWWQBHOKSA-N 2 1 365.522 0.664 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551589980 1268280909 /nfs/dbraw/zinc/28/09/09/1268280909.db2.gz JFAZLCHBAXBQQS-QILLFSRXSA-N 2 1 365.522 0.616 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551938597 1268315662 /nfs/dbraw/zinc/31/56/62/1268315662.db2.gz KKZDBEZJMZZXJU-KLHDSHLOSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551938597 1268315670 /nfs/dbraw/zinc/31/56/70/1268315670.db2.gz KKZDBEZJMZZXJU-KLHDSHLOSA-N 2 1 374.489 0.786 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C ZINC001552166978 1268397769 /nfs/dbraw/zinc/39/77/69/1268397769.db2.gz QBDCIPYYTIKXMC-SZMVWBNQSA-N 2 1 361.490 0.355 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)nn1 ZINC001552167761 1268399575 /nfs/dbraw/zinc/39/95/75/1268399575.db2.gz IKGOPAWRIOVQFB-ZMSDIMECSA-N 2 1 373.461 0.176 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)C[C@H]1C ZINC001552168324 1268400608 /nfs/dbraw/zinc/40/06/08/1268400608.db2.gz UEDYAMQKRZKOFJ-AESZEHBQSA-N 2 1 364.494 0.311 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552202167 1268408089 /nfs/dbraw/zinc/40/80/89/1268408089.db2.gz BUAIZRWHICNVGJ-PZJWPPBQSA-N 2 1 372.513 0.676 20 0 FCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001340234393 1268480389 /nfs/dbraw/zinc/48/03/89/1268480389.db2.gz QXODUIOLTJCGFX-KRWDZBQOSA-N 2 1 363.510 0.564 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001340234393 1268480394 /nfs/dbraw/zinc/48/03/94/1268480394.db2.gz QXODUIOLTJCGFX-KRWDZBQOSA-N 2 1 363.510 0.564 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001552682735 1268519995 /nfs/dbraw/zinc/51/99/95/1268519995.db2.gz ABERUTBZVDSMGR-KRWDZBQOSA-N 2 1 370.457 0.344 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001552682735 1268520005 /nfs/dbraw/zinc/52/00/05/1268520005.db2.gz ABERUTBZVDSMGR-KRWDZBQOSA-N 2 1 370.457 0.344 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC001552682126 1268520446 /nfs/dbraw/zinc/52/04/46/1268520446.db2.gz DYMIVMRGPHLHTG-MRXNPFEDSA-N 2 1 363.506 0.981 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC001552682126 1268520451 /nfs/dbraw/zinc/52/04/51/1268520451.db2.gz DYMIVMRGPHLHTG-MRXNPFEDSA-N 2 1 363.506 0.981 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552711935 1268529784 /nfs/dbraw/zinc/52/97/84/1268529784.db2.gz LPUPTJVHBUFMGD-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552711935 1268529790 /nfs/dbraw/zinc/52/97/90/1268529790.db2.gz LPUPTJVHBUFMGD-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)C2 ZINC001552996893 1268574574 /nfs/dbraw/zinc/57/45/74/1268574574.db2.gz WSWJLJFYGNFOKL-DWRORGKVSA-N 2 1 368.522 0.222 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553374532 1268638464 /nfs/dbraw/zinc/63/84/64/1268638464.db2.gz HEUNCOGGWIFONH-UWJYYQICSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553374532 1268638471 /nfs/dbraw/zinc/63/84/71/1268638471.db2.gz HEUNCOGGWIFONH-UWJYYQICSA-N 2 1 370.497 0.949 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553369179 1268638526 /nfs/dbraw/zinc/63/85/26/1268638526.db2.gz LLLAJDUUJTWELI-VQIMIIECSA-N 2 1 351.491 0.764 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384760 1268639988 /nfs/dbraw/zinc/63/99/88/1268639988.db2.gz CINPSWLOMHPGGL-OXQOHEQNSA-N 2 1 374.460 0.651 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384760 1268639997 /nfs/dbraw/zinc/63/99/97/1268639997.db2.gz CINPSWLOMHPGGL-OXQOHEQNSA-N 2 1 374.460 0.651 20 0 FCADMP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376641 1268640799 /nfs/dbraw/zinc/64/07/99/1268640799.db2.gz XELFAZCZVBFEHX-YEWWUXTCSA-N 2 1 365.499 0.809 20 0 FCADMP CN(C)C(=O)COc1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553389572 1268643350 /nfs/dbraw/zinc/64/33/50/1268643350.db2.gz MYFSQNRHPARKHK-OXQOHEQNSA-N 2 1 374.485 0.311 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405442 1268645706 /nfs/dbraw/zinc/64/57/06/1268645706.db2.gz CKBSUTZCSKLQCQ-YESZJQIVSA-N 2 1 358.442 0.532 20 0 FCADMP [NH3+]C[C@@H]1[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)C[C@H]21 ZINC001553437142 1268649977 /nfs/dbraw/zinc/64/99/77/1268649977.db2.gz RHQQQUIFTUGXJT-NNZMDNLPSA-N 2 1 361.465 0.794 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553453357 1268653230 /nfs/dbraw/zinc/65/32/30/1268653230.db2.gz PNTDFWQZIMAUCD-GJYPPUQNSA-N 2 1 358.490 0.725 20 0 FCADMP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553503105 1268659725 /nfs/dbraw/zinc/65/97/25/1268659725.db2.gz MRIGJKGSAVAEJJ-VSZNYVQBSA-N 2 1 366.506 0.384 20 0 FCADMP CCCN1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1=O ZINC001553503006 1268659739 /nfs/dbraw/zinc/65/97/39/1268659739.db2.gz IXBWYIIISKZUKC-BHYGNILZSA-N 2 1 363.506 0.608 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@H]21 ZINC001553531938 1268665018 /nfs/dbraw/zinc/66/50/18/1268665018.db2.gz VGBCWUBACIYAAK-RTBURBONSA-N 2 1 357.502 0.937 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)cc2)n[nH]1 ZINC001554035216 1268744970 /nfs/dbraw/zinc/74/49/70/1268744970.db2.gz GAGKKMCBTUULOS-GFCCVEGCSA-N 2 1 353.390 0.309 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)c3ccnc4c3nnn4C)CC2)CC1 ZINC001557073313 1268924817 /nfs/dbraw/zinc/92/48/17/1268924817.db2.gz KKUGYHQVQZQTNF-UHFFFAOYSA-N 2 1 371.489 0.996 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)c3ccnc4c3nnn4C)CC2)CC1 ZINC001557073313 1268924826 /nfs/dbraw/zinc/92/48/26/1268924826.db2.gz KKUGYHQVQZQTNF-UHFFFAOYSA-N 2 1 371.489 0.996 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCCC[NH2+]2)CC1=O ZINC001341549497 1269074226 /nfs/dbraw/zinc/07/42/26/1269074226.db2.gz JTYAJKNGQJYIDU-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001342091608 1269342112 /nfs/dbraw/zinc/34/21/12/1269342112.db2.gz YUTGYPRQJIFLTK-IRXDYDNUSA-N 2 1 368.522 0.281 20 0 FCADMP COCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001565885279 1269503836 /nfs/dbraw/zinc/50/38/36/1269503836.db2.gz UWHSCSYWEOZFEF-RBUKOAKNSA-N 2 1 361.486 0.939 20 0 FCADMP COCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001565885279 1269503841 /nfs/dbraw/zinc/50/38/41/1269503841.db2.gz UWHSCSYWEOZFEF-RBUKOAKNSA-N 2 1 361.486 0.939 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001566049509 1269581207 /nfs/dbraw/zinc/58/12/07/1269581207.db2.gz GWTZHTRJCZUKJJ-SOLBZPMBSA-N 2 1 352.523 0.878 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001566052945 1269586217 /nfs/dbraw/zinc/58/62/17/1269586217.db2.gz PCPDZIWPECTLHH-IKGGRYGDSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001566054184 1269588096 /nfs/dbraw/zinc/58/80/96/1269588096.db2.gz PVPRJSBDHWYUCI-ZACQAIPSSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3CCCC3=O)CCCC2)CC[N@H+]1C ZINC001568236067 1269722972 /nfs/dbraw/zinc/72/29/72/1269722972.db2.gz ZVXFNOUBDNPNOB-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001570480013 1269891104 /nfs/dbraw/zinc/89/11/04/1269891104.db2.gz UEOASAUEHFXDFY-IXDOHACOSA-N 2 1 369.506 0.027 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001343438383 1269909568 /nfs/dbraw/zinc/90/95/68/1269909568.db2.gz DSBGELOLVRTSKS-HZPDHXFCSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001343443663 1269910850 /nfs/dbraw/zinc/91/08/50/1269910850.db2.gz CISMTWAAZCGMAA-GBESFXJTSA-N 2 1 360.502 0.686 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001343443663 1269910853 /nfs/dbraw/zinc/91/08/53/1269910853.db2.gz CISMTWAAZCGMAA-GBESFXJTSA-N 2 1 360.502 0.686 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O)C1CCC1 ZINC001343477902 1269921559 /nfs/dbraw/zinc/92/15/59/1269921559.db2.gz YRYSPAMWCOUODI-SJORKVTESA-N 2 1 371.441 0.120 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001572998809 1270477861 /nfs/dbraw/zinc/47/78/61/1270477861.db2.gz SSTSFDGGKJWMES-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001572998809 1270477865 /nfs/dbraw/zinc/47/78/65/1270477865.db2.gz SSTSFDGGKJWMES-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001572998809 1270477869 /nfs/dbraw/zinc/47/78/69/1270477869.db2.gz SSTSFDGGKJWMES-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001573062268 1270583228 /nfs/dbraw/zinc/58/32/28/1270583228.db2.gz DFXBZFRTADBGCY-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028273 1271009743 /nfs/dbraw/zinc/00/97/43/1271009743.db2.gz PMFAAWLNKWZCGR-WFASDCNBSA-N 2 1 358.450 0.188 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209261 1271094873 /nfs/dbraw/zinc/09/48/73/1271094873.db2.gz DGAPWVXPOQEHOM-CJNGLKHVSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574259807 1271129305 /nfs/dbraw/zinc/12/93/05/1271129305.db2.gz AKAXQDUIOOBEIZ-UHFFFAOYSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574260842 1271134764 /nfs/dbraw/zinc/13/47/64/1271134764.db2.gz ZBKIZELYSKYXKB-UHFFFAOYSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574265024 1271141477 /nfs/dbraw/zinc/14/14/77/1271141477.db2.gz WHHSKDBVPIZHKC-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596085 1271397645 /nfs/dbraw/zinc/39/76/45/1271397645.db2.gz HVTDGTFZHVVAGB-XJKSGUPXSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598412 1271402062 /nfs/dbraw/zinc/40/20/62/1271402062.db2.gz QJKMWLZKIZYRDW-BBRMVZONSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877493 1271639884 /nfs/dbraw/zinc/63/98/84/1271639884.db2.gz SGLICDYCEWUKKV-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877493 1271639890 /nfs/dbraw/zinc/63/98/90/1271639890.db2.gz SGLICDYCEWUKKV-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877493 1271639900 /nfs/dbraw/zinc/63/99/00/1271639900.db2.gz SGLICDYCEWUKKV-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC001575062167 1271703703 /nfs/dbraw/zinc/70/37/03/1271703703.db2.gz INIBDTNQPFUHAD-YJBOKZPZSA-N 2 1 358.486 0.343 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575115036 1271728213 /nfs/dbraw/zinc/72/82/13/1271728213.db2.gz MENNBXOTJJKSCN-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[C@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575458010 1272127805 /nfs/dbraw/zinc/12/78/05/1272127805.db2.gz AMHBQIVEAYPFFX-HUUCEWRRSA-N 2 1 372.477 0.239 20 0 FCADMP CC(C)[C@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575458010 1272127815 /nfs/dbraw/zinc/12/78/15/1272127815.db2.gz AMHBQIVEAYPFFX-HUUCEWRRSA-N 2 1 372.477 0.239 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567128 1272203065 /nfs/dbraw/zinc/20/30/65/1272203065.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 2 1 364.494 0.238 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567128 1272203076 /nfs/dbraw/zinc/20/30/76/1272203076.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 2 1 364.494 0.238 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567128 1272203080 /nfs/dbraw/zinc/20/30/80/1272203080.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 2 1 364.494 0.238 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(C3(O)CC[NH2+]CC3)CCC2)C1 ZINC001575600763 1272225915 /nfs/dbraw/zinc/22/59/15/1272225915.db2.gz JUNYHOIBRMIWHK-INIZCTEOSA-N 2 1 353.507 0.744 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC001575698004 1272316862 /nfs/dbraw/zinc/31/68/62/1272316862.db2.gz KIRGKBPZRHKKRJ-UHFFFAOYSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@H](C[NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001575995854 1272666885 /nfs/dbraw/zinc/66/68/85/1272666885.db2.gz GARNEADLQVGZFI-KFWWJZLASA-N 2 1 361.494 0.499 20 0 FCADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576104620 1272887624 /nfs/dbraw/zinc/88/76/24/1272887624.db2.gz HGCNECOYVZVCAU-KBPBESRZSA-N 2 1 357.499 0.964 20 0 FCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576104621 1272887829 /nfs/dbraw/zinc/88/78/29/1272887829.db2.gz HGCNECOYVZVCAU-KGLIPLIRSA-N 2 1 357.499 0.964 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[N@@H+](C)CCN1C ZINC001576207662 1272990177 /nfs/dbraw/zinc/99/01/77/1272990177.db2.gz QBVDLHLNULUBQQ-HRCADAONSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CN(C)CC[N@@H+]1C ZINC001576207662 1272990180 /nfs/dbraw/zinc/99/01/80/1272990180.db2.gz QBVDLHLNULUBQQ-HRCADAONSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CN(C)CC[N@H+]1C ZINC001576207662 1272990184 /nfs/dbraw/zinc/99/01/84/1272990184.db2.gz QBVDLHLNULUBQQ-HRCADAONSA-N 2 1 353.511 0.079 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001576254784 1273037425 /nfs/dbraw/zinc/03/74/25/1273037425.db2.gz FTIOUOCLDWLPGF-DZGCQCFKSA-N 2 1 372.477 0.673 20 0 FCADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]CC(=O)N1CCN(c2cnccn2)CC1 ZINC001576382825 1273214683 /nfs/dbraw/zinc/21/46/83/1273214683.db2.gz DZIHGPZHFWXHDS-OLMNPRSZSA-N 2 1 358.490 0.491 20 0 FCADMP CC1(C)C[N@H+](CCn2c(-c3cccnc3)nnc2N2CC[NH2+]CC2)CCO1 ZINC001576457467 1273288324 /nfs/dbraw/zinc/28/83/24/1273288324.db2.gz FSHMCPXOHGUIAG-UHFFFAOYSA-N 2 1 371.489 0.861 20 0 FCADMP CC1(C)C[N@@H+](CCn2c(-c3cccnc3)nnc2N2CC[NH2+]CC2)CCO1 ZINC001576457467 1273288330 /nfs/dbraw/zinc/28/83/30/1273288330.db2.gz FSHMCPXOHGUIAG-UHFFFAOYSA-N 2 1 371.489 0.861 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCc2cn[nH]n2)C1 ZINC001576479191 1273318540 /nfs/dbraw/zinc/31/85/40/1273318540.db2.gz FKFGGGHZRBZLBW-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCc2c[nH]nn2)C1 ZINC001576479191 1273318545 /nfs/dbraw/zinc/31/85/45/1273318545.db2.gz FKFGGGHZRBZLBW-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCc2c[nH]nn2)C1 ZINC001576479191 1273318551 /nfs/dbraw/zinc/31/85/51/1273318551.db2.gz FKFGGGHZRBZLBW-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497085 1273353275 /nfs/dbraw/zinc/35/32/75/1273353275.db2.gz BSCYYSOXCZPUAQ-HZPDHXFCSA-N 2 1 357.462 0.897 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCCO)CC1 ZINC001576517814 1273403025 /nfs/dbraw/zinc/40/30/25/1273403025.db2.gz URINKKPGCXTLAF-UHFFFAOYSA-N 2 1 352.483 0.322 20 0 FCADMP CC[N@H+](C)CCC(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCCO)CC1 ZINC001576517814 1273403029 /nfs/dbraw/zinc/40/30/29/1273403029.db2.gz URINKKPGCXTLAF-UHFFFAOYSA-N 2 1 352.483 0.322 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCCO)CC1 ZINC001576517814 1273403033 /nfs/dbraw/zinc/40/30/33/1273403033.db2.gz URINKKPGCXTLAF-UHFFFAOYSA-N 2 1 352.483 0.322 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557684 1273437817 /nfs/dbraw/zinc/43/78/17/1273437817.db2.gz SRTJVGMIJOTPLW-HZPDHXFCSA-N 2 1 362.478 0.181 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001576605955 1273475589 /nfs/dbraw/zinc/47/55/89/1273475589.db2.gz NUWLSWJKRRRHMX-FVPDABNVSA-N 2 1 351.495 0.591 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795224 1273697567 /nfs/dbraw/zinc/69/75/67/1273697567.db2.gz HQZJZOSSZYENJY-NEPJUHHUSA-N 2 1 363.491 0.864 20 0 FCADMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805584 1273713639 /nfs/dbraw/zinc/71/36/39/1273713639.db2.gz IQSFXAQSDZWPFH-KGLIPLIRSA-N 2 1 372.477 0.641 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1[NH3+] ZINC001576822861 1273743993 /nfs/dbraw/zinc/74/39/93/1273743993.db2.gz AZWPWJPTELPOAY-BZUAXINKSA-N 2 1 371.489 0.844 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1[NH3+] ZINC001576822861 1273743999 /nfs/dbraw/zinc/74/39/99/1273743999.db2.gz AZWPWJPTELPOAY-BZUAXINKSA-N 2 1 371.489 0.844 20 0 FCADMP C[C@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[NH+]2CCSCC2)CCO1 ZINC001576846839 1273789522 /nfs/dbraw/zinc/78/95/22/1273789522.db2.gz XUGFPULAKWSBGJ-GJZGRUSLSA-N 2 1 366.535 0.977 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CC[C@@H](CC[NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001576884547 1273872511 /nfs/dbraw/zinc/87/25/11/1273872511.db2.gz WWTCKFAPNWGRPA-OAHLLOKOSA-N 2 1 364.494 0.286 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902198 1273906695 /nfs/dbraw/zinc/90/66/95/1273906695.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001576902198 1273906698 /nfs/dbraw/zinc/90/66/98/1273906698.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576902198 1273906702 /nfs/dbraw/zinc/90/67/02/1273906702.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902198 1273906709 /nfs/dbraw/zinc/90/67/09/1273906709.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902198 1273906718 /nfs/dbraw/zinc/90/67/18/1273906718.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001576902198 1273906723 /nfs/dbraw/zinc/90/67/23/1273906723.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576902198 1273906730 /nfs/dbraw/zinc/90/67/30/1273906730.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 2 1 364.494 0.165 20 0 FCADMP COCCC1(NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+](CCc2cn[nH]n2)CC1 ZINC001576988757 1274017775 /nfs/dbraw/zinc/01/77/75/1274017775.db2.gz SMFNHGARCYQFGV-MRXNPFEDSA-N 2 1 364.494 0.429 20 0 FCADMP COCCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+](CCc2c[nH]nn2)CC1 ZINC001576988757 1274017779 /nfs/dbraw/zinc/01/77/79/1274017779.db2.gz SMFNHGARCYQFGV-MRXNPFEDSA-N 2 1 364.494 0.429 20 0 FCADMP COCCC1(NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+](CCc2c[nH]nn2)CC1 ZINC001576988757 1274017785 /nfs/dbraw/zinc/01/77/85/1274017785.db2.gz SMFNHGARCYQFGV-MRXNPFEDSA-N 2 1 364.494 0.429 20 0 FCADMP CC[C@H](CO)[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001577090562 1274149268 /nfs/dbraw/zinc/14/92/68/1274149268.db2.gz STEQRZUPZWITBC-HUUCEWRRSA-N 2 1 350.467 0.121 20 0 FCADMP CC[C@H]1CN(c2nnc(CC3CC3)n2CC[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC001577294735 1274310424 /nfs/dbraw/zinc/31/04/24/1274310424.db2.gz FGKLHWHVVZMXPP-DLBZAZTESA-N 2 1 362.522 0.997 20 0 FCADMP CC[C@@H]1CN(c2nnc(CC3CC3)n2CC[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC001577294736 1274311701 /nfs/dbraw/zinc/31/17/01/1274311701.db2.gz FGKLHWHVVZMXPP-IAGOWNOFSA-N 2 1 362.522 0.997 20 0 FCADMP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001577476663 1274432711 /nfs/dbraw/zinc/43/27/11/1274432711.db2.gz AKURROYGMXHVDZ-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577547827 1274487354 /nfs/dbraw/zinc/48/73/54/1274487354.db2.gz UXMODEBLEMBKTR-ZDUSSCGKSA-N 2 1 360.466 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554419 1274496624 /nfs/dbraw/zinc/49/66/24/1274496624.db2.gz RTWHVIPJCCAPFD-AWEZNQCLSA-N 2 1 372.477 0.594 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562636 1274513532 /nfs/dbraw/zinc/51/35/32/1274513532.db2.gz CZQXTMXTAWAYND-CQSZACIVSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577564824 1274520377 /nfs/dbraw/zinc/52/03/77/1274520377.db2.gz AJCBXRAKVQNRGC-HZPDHXFCSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577565117 1274520845 /nfs/dbraw/zinc/52/08/45/1274520845.db2.gz IWQXWMDLAFNEID-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664771 1274677710 /nfs/dbraw/zinc/67/77/10/1274677710.db2.gz IGAKHMFOEJMUFV-CQSZACIVSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665203 1274682586 /nfs/dbraw/zinc/68/25/86/1274682586.db2.gz NHPJXTFTBBYFDZ-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667154 1274686131 /nfs/dbraw/zinc/68/61/31/1274686131.db2.gz BGAKDSLUPGZGDD-CZUORRHYSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670616 1274700977 /nfs/dbraw/zinc/70/09/77/1274700977.db2.gz XIHHNKCLJGQFQP-CZUORRHYSA-N 2 1 370.461 0.571 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672742 1274705506 /nfs/dbraw/zinc/70/55/06/1274705506.db2.gz ADXXCLPKKCDAHU-CZUORRHYSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1)C1CC1 ZINC001577730957 1274807007 /nfs/dbraw/zinc/80/70/07/1274807007.db2.gz BBIHHTOUJFHWOJ-HIFRSBDPSA-N 2 1 361.494 0.512 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC2(C[NH+](CCc3cn[nH]n3)C2)CC1 ZINC001577758388 1274841359 /nfs/dbraw/zinc/84/13/59/1274841359.db2.gz LSVZNGOZIMXKMV-QGZVFWFLSA-N 2 1 358.490 0.613 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC001577763613 1274848028 /nfs/dbraw/zinc/84/80/28/1274848028.db2.gz FYRBXLKTNNLPMI-YCPHGPKFSA-N 2 1 358.494 0.804 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC/C=C/C[NH3+])CC2)CC1 ZINC001577775575 1274866040 /nfs/dbraw/zinc/86/60/40/1274866040.db2.gz LTNROBKEQURSIQ-ONEGZZNKSA-N 2 1 351.495 0.477 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577851849 1274991533 /nfs/dbraw/zinc/99/15/33/1274991533.db2.gz DBZAFIFEOARHMD-OLZOCXBDSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577859527 1275017607 /nfs/dbraw/zinc/01/76/07/1275017607.db2.gz KJMFAHMDSXAPKS-QGZVFWFLSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577859527 1275017612 /nfs/dbraw/zinc/01/76/12/1275017612.db2.gz KJMFAHMDSXAPKS-QGZVFWFLSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859960 1275022029 /nfs/dbraw/zinc/02/20/29/1275022029.db2.gz QGVACRVBEPMKTI-OLZOCXBDSA-N 2 1 360.466 0.639 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577863470 1275038127 /nfs/dbraw/zinc/03/81/27/1275038127.db2.gz WJCLPIZGMOWLHA-UHFFFAOYSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577863704 1275038804 /nfs/dbraw/zinc/03/88/04/1275038804.db2.gz YVKUVYAKVLJYCN-UHFFFAOYSA-N 2 1 358.450 0.689 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001577865326 1275040285 /nfs/dbraw/zinc/04/02/85/1275040285.db2.gz JWXKHTNBBMMGGT-KKUMJFAQSA-N 2 1 363.510 0.758 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867112 1275049163 /nfs/dbraw/zinc/04/91/63/1275049163.db2.gz VDJMXUJZXMTLRT-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867112 1275049174 /nfs/dbraw/zinc/04/91/74/1275049174.db2.gz VDJMXUJZXMTLRT-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867112 1275049186 /nfs/dbraw/zinc/04/91/86/1275049186.db2.gz VDJMXUJZXMTLRT-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867112 1275049194 /nfs/dbraw/zinc/04/91/94/1275049194.db2.gz VDJMXUJZXMTLRT-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577867258 1275051079 /nfs/dbraw/zinc/05/10/79/1275051079.db2.gz YTYOCXPCTIVRFO-HNNXBMFYSA-N 2 1 360.466 0.578 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578129656 1275428382 /nfs/dbraw/zinc/42/83/82/1275428382.db2.gz KSQNWQGMVUGQJT-GRDNDAEWSA-N 2 1 352.483 0.055 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001578136175 1275435058 /nfs/dbraw/zinc/43/50/58/1275435058.db2.gz NQLUUVQRVJFBCW-CYBMUJFWSA-N 2 1 358.450 0.286 20 0 FCADMP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001578139318 1275438049 /nfs/dbraw/zinc/43/80/49/1275438049.db2.gz UPBVYTWNZSNNMW-CVEARBPZSA-N 2 1 366.510 0.589 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578142111 1275441524 /nfs/dbraw/zinc/44/15/24/1275441524.db2.gz LHEGPLNGYWSFRT-HNNXBMFYSA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578142111 1275441525 /nfs/dbraw/zinc/44/15/25/1275441525.db2.gz LHEGPLNGYWSFRT-HNNXBMFYSA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001578144729 1275444728 /nfs/dbraw/zinc/44/47/28/1275444728.db2.gz NZGLRCHEYSWWBH-HOTGVXAUSA-N 2 1 366.510 0.709 20 0 FCADMP CC[S@@](=O)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001578215778 1275509831 /nfs/dbraw/zinc/50/98/31/1275509831.db2.gz ZEJMBDJAMSQYMY-OKXMYEFYSA-N 2 1 368.551 0.782 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578220991 1275518584 /nfs/dbraw/zinc/51/85/84/1275518584.db2.gz GZQJMBYODJXWSQ-BBRMVZONSA-N 2 1 372.477 0.783 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001578324781 1275669956 /nfs/dbraw/zinc/66/99/56/1275669956.db2.gz YZPLQNRPNBISMR-CVEARBPZSA-N 2 1 350.511 0.995 20 0 FCADMP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578336060 1275689264 /nfs/dbraw/zinc/68/92/64/1275689264.db2.gz CXMGFPJOKNGMNY-IOASZLSFSA-N 2 1 363.414 0.996 20 0 FCADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578336060 1275689272 /nfs/dbraw/zinc/68/92/72/1275689272.db2.gz CXMGFPJOKNGMNY-IOASZLSFSA-N 2 1 363.414 0.996 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578443955 1275829528 /nfs/dbraw/zinc/82/95/28/1275829528.db2.gz GLQKLIVHZVJHPF-HEHGZKQESA-N 2 1 372.477 0.673 20 0 FCADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452117 1275850000 /nfs/dbraw/zinc/85/00/00/1275850000.db2.gz OUDAHGBKJHPKFY-VXGBXAGGSA-N 2 1 350.385 0.279 20 0 FCADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578468424 1275880198 /nfs/dbraw/zinc/88/01/98/1275880198.db2.gz YDGLEDCEYXKMPE-CYBMUJFWSA-N 2 1 357.410 0.510 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH2+]CC2)C1 ZINC001578525554 1275957912 /nfs/dbraw/zinc/95/79/12/1275957912.db2.gz HFNILXPBDRKWTH-LJQANCHMSA-N 2 1 374.464 0.484 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001578525566 1275958378 /nfs/dbraw/zinc/95/83/78/1275958378.db2.gz HTJIUFNJUNNUEY-VQIMIIECSA-N 2 1 372.473 0.176 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCCO3)nnc2N2CCC([NH3+])CC2)C1 ZINC001578526018 1275960226 /nfs/dbraw/zinc/96/02/26/1275960226.db2.gz XDVSFDDCKOJBLS-PBHICJAKSA-N 2 1 350.467 0.124 20 0 FCADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529746 1275960744 /nfs/dbraw/zinc/96/07/44/1275960744.db2.gz ZHRPTHUTVZXIML-SJORKVTESA-N 2 1 356.470 0.798 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001578532397 1275963408 /nfs/dbraw/zinc/96/34/08/1275963408.db2.gz CSYWXMGRZQUJHM-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)CC1 ZINC001578532596 1275963931 /nfs/dbraw/zinc/96/39/31/1275963931.db2.gz NIHRWOKTLIEJHI-UHFFFAOYSA-N 2 1 359.474 0.313 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001578567805 1275999203 /nfs/dbraw/zinc/99/92/03/1275999203.db2.gz CNYASDQCMLDFJL-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001578578153 1276011352 /nfs/dbraw/zinc/01/13/52/1276011352.db2.gz DGXJJFBRTUKICC-TUVASFSCSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578611649 1276046990 /nfs/dbraw/zinc/04/69/90/1276046990.db2.gz SREBDIJNZNCAEP-IFXJQAMLSA-N 2 1 374.464 0.949 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578613400 1276050187 /nfs/dbraw/zinc/05/01/87/1276050187.db2.gz YKNXBEYRXOYNIM-ZIAGYGMSSA-N 2 1 358.450 0.232 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578660833 1276110145 /nfs/dbraw/zinc/11/01/45/1276110145.db2.gz SGLVJNSPKCGKDZ-MAUKXSAKSA-N 2 1 350.511 0.904 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578671317 1276123767 /nfs/dbraw/zinc/12/37/67/1276123767.db2.gz INTDTZDCLGZLSU-QAPCUYQASA-N 2 1 350.511 0.589 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578970412 1276513051 /nfs/dbraw/zinc/51/30/51/1276513051.db2.gz ALOLXIWEDOESKB-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578971096 1276515955 /nfs/dbraw/zinc/51/59/55/1276515955.db2.gz TYOABKXHHZEVDB-GFCCVEGCSA-N 2 1 356.434 0.298 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001578973651 1276520883 /nfs/dbraw/zinc/52/08/83/1276520883.db2.gz WQZPVAFBPHUBDK-UHFFFAOYSA-N 2 1 363.441 0.848 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578978636 1276535971 /nfs/dbraw/zinc/53/59/71/1276535971.db2.gz KVGQGKRXHTWHSI-ZDUSSCGKSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578978636 1276535975 /nfs/dbraw/zinc/53/59/75/1276535975.db2.gz KVGQGKRXHTWHSI-ZDUSSCGKSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578979282 1276539490 /nfs/dbraw/zinc/53/94/90/1276539490.db2.gz YTSSPYZFAACTHL-CQSZACIVSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578979282 1276539491 /nfs/dbraw/zinc/53/94/91/1276539491.db2.gz YTSSPYZFAACTHL-CQSZACIVSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)NCC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001578980749 1276541670 /nfs/dbraw/zinc/54/16/70/1276541670.db2.gz OIKYNLDFANREOU-UHFFFAOYSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578985472 1276551917 /nfs/dbraw/zinc/55/19/17/1276551917.db2.gz IIMDEKFMFMNSEN-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578987450 1276557323 /nfs/dbraw/zinc/55/73/23/1276557323.db2.gz DOJZLIPQRACHQD-QLPKVWCKSA-N 2 1 355.446 0.365 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578990713 1276564042 /nfs/dbraw/zinc/56/40/42/1276564042.db2.gz GSXAODWAJNLEHN-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578991666 1276565991 /nfs/dbraw/zinc/56/59/91/1276565991.db2.gz XXMVVCIUFGCRNU-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP C[N@@H+](CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579005757 1276574486 /nfs/dbraw/zinc/57/44/86/1276574486.db2.gz CGMDUJNUUNDPAA-MRXNPFEDSA-N 2 1 370.461 0.475 20 0 FCADMP COCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579013759 1276587757 /nfs/dbraw/zinc/58/77/57/1276587757.db2.gz GCTAHPHXGFDVAA-OAHLLOKOSA-N 2 1 374.493 0.502 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579020447 1276599653 /nfs/dbraw/zinc/59/96/53/1276599653.db2.gz CFNIYMHJRAJAOI-HNNXBMFYSA-N 2 1 361.494 0.660 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2[NH2+]CC[C@@H]2C)CC1 ZINC001579038046 1276623144 /nfs/dbraw/zinc/62/31/44/1276623144.db2.gz AKKXHINJGALJIV-RDJZCZTQSA-N 2 1 362.522 0.997 20 0 FCADMP COCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001579074396 1276686403 /nfs/dbraw/zinc/68/64/03/1276686403.db2.gz JAEIJZQVYZNHAV-GEEKYZPCSA-N 2 1 366.510 0.675 20 0 FCADMP COCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001579074396 1276686413 /nfs/dbraw/zinc/68/64/13/1276686413.db2.gz JAEIJZQVYZNHAV-GEEKYZPCSA-N 2 1 366.510 0.675 20 0 FCADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172309 1276927055 /nfs/dbraw/zinc/92/70/55/1276927055.db2.gz PJDPWSUXORSJRN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172309 1276927067 /nfs/dbraw/zinc/92/70/67/1276927067.db2.gz PJDPWSUXORSJRN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172309 1276927072 /nfs/dbraw/zinc/92/70/72/1276927072.db2.gz PJDPWSUXORSJRN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172309 1276927085 /nfs/dbraw/zinc/92/70/85/1276927085.db2.gz PJDPWSUXORSJRN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176242 1276935162 /nfs/dbraw/zinc/93/51/62/1276935162.db2.gz JDVKIBHADYGQBU-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176242 1276935172 /nfs/dbraw/zinc/93/51/72/1276935172.db2.gz JDVKIBHADYGQBU-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176242 1276935178 /nfs/dbraw/zinc/93/51/78/1276935178.db2.gz JDVKIBHADYGQBU-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579179613 1276942499 /nfs/dbraw/zinc/94/24/99/1276942499.db2.gz DTPGDAWVFVWJBG-UHFFFAOYSA-N 2 1 361.425 0.650 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C ZINC001579246885 1277046090 /nfs/dbraw/zinc/04/60/90/1277046090.db2.gz NUJPTYJZGKTWJK-JLOCXQCDSA-N 2 1 364.534 0.878 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001579246885 1277046097 /nfs/dbraw/zinc/04/60/97/1277046097.db2.gz NUJPTYJZGKTWJK-JLOCXQCDSA-N 2 1 364.534 0.878 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001579246885 1277046101 /nfs/dbraw/zinc/04/61/01/1277046101.db2.gz NUJPTYJZGKTWJK-JLOCXQCDSA-N 2 1 364.534 0.878 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325689 1277145549 /nfs/dbraw/zinc/14/55/49/1277145549.db2.gz FGWOPKCOLTVPIQ-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579327040 1277152384 /nfs/dbraw/zinc/15/23/84/1277152384.db2.gz OOEYAOOAJANEKJ-GJZGRUSLSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329088 1277156368 /nfs/dbraw/zinc/15/63/68/1277156368.db2.gz LXLWOPKQZPPJDN-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329088 1277156370 /nfs/dbraw/zinc/15/63/70/1277156370.db2.gz LXLWOPKQZPPJDN-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329088 1277156372 /nfs/dbraw/zinc/15/63/72/1277156372.db2.gz LXLWOPKQZPPJDN-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329088 1277156375 /nfs/dbraw/zinc/15/63/75/1277156375.db2.gz LXLWOPKQZPPJDN-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327922 1277157517 /nfs/dbraw/zinc/15/75/17/1277157517.db2.gz ZHAXXRRGPHBTDX-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330161 1277160745 /nfs/dbraw/zinc/16/07/45/1277160745.db2.gz YNHNLNNLOKGQEB-JYJNAYRXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330161 1277160746 /nfs/dbraw/zinc/16/07/46/1277160746.db2.gz YNHNLNNLOKGQEB-JYJNAYRXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330161 1277160748 /nfs/dbraw/zinc/16/07/48/1277160748.db2.gz YNHNLNNLOKGQEB-JYJNAYRXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330161 1277160749 /nfs/dbraw/zinc/16/07/49/1277160749.db2.gz YNHNLNNLOKGQEB-JYJNAYRXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333694 1277168889 /nfs/dbraw/zinc/16/88/89/1277168889.db2.gz RYVMWRUVPXWDLS-GJZGRUSLSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333694 1277168890 /nfs/dbraw/zinc/16/88/90/1277168890.db2.gz RYVMWRUVPXWDLS-GJZGRUSLSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333694 1277168893 /nfs/dbraw/zinc/16/88/93/1277168893.db2.gz RYVMWRUVPXWDLS-GJZGRUSLSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333694 1277168894 /nfs/dbraw/zinc/16/88/94/1277168894.db2.gz RYVMWRUVPXWDLS-GJZGRUSLSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334288 1277170903 /nfs/dbraw/zinc/17/09/03/1277170903.db2.gz WLRRVBDSHDOJIG-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334288 1277170904 /nfs/dbraw/zinc/17/09/04/1277170904.db2.gz WLRRVBDSHDOJIG-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334288 1277170905 /nfs/dbraw/zinc/17/09/05/1277170905.db2.gz WLRRVBDSHDOJIG-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334003 1277170929 /nfs/dbraw/zinc/17/09/29/1277170929.db2.gz BBLTYVVJPANWBM-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334003 1277170931 /nfs/dbraw/zinc/17/09/31/1277170931.db2.gz BBLTYVVJPANWBM-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334003 1277170932 /nfs/dbraw/zinc/17/09/32/1277170932.db2.gz BBLTYVVJPANWBM-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335800 1277177100 /nfs/dbraw/zinc/17/71/00/1277177100.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335800 1277177101 /nfs/dbraw/zinc/17/71/01/1277177101.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335800 1277177103 /nfs/dbraw/zinc/17/71/03/1277177103.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579337960 1277180738 /nfs/dbraw/zinc/18/07/38/1277180738.db2.gz BOXFBAHNTATRMC-CYBMUJFWSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341877 1277190704 /nfs/dbraw/zinc/19/07/04/1277190704.db2.gz XJMKGMGENBDKJG-ZIAGYGMSSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343655 1277193114 /nfs/dbraw/zinc/19/31/14/1277193114.db2.gz AXLMUKBESBEMHM-IYXRBSQSSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345468 1277196724 /nfs/dbraw/zinc/19/67/24/1277196724.db2.gz WCLZZTXHORYVEF-UGSOOPFHSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345468 1277196725 /nfs/dbraw/zinc/19/67/25/1277196725.db2.gz WCLZZTXHORYVEF-UGSOOPFHSA-N 2 1 370.461 0.689 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001579348783 1277203211 /nfs/dbraw/zinc/20/32/11/1277203211.db2.gz HYLAWDNGPQMCTH-UHFFFAOYSA-N 2 1 360.466 0.303 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001579348783 1277203213 /nfs/dbraw/zinc/20/32/13/1277203213.db2.gz HYLAWDNGPQMCTH-UHFFFAOYSA-N 2 1 360.466 0.303 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353637 1277214421 /nfs/dbraw/zinc/21/44/21/1277214421.db2.gz QOFMJNZFHVQMPA-ZBFHGGJFSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356745 1277222793 /nfs/dbraw/zinc/22/27/93/1277222793.db2.gz MKLNFLGBDYPDBV-DLBZAZTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001579358951 1277229279 /nfs/dbraw/zinc/22/92/79/1277229279.db2.gz MHQSNHJBGTUPJM-LBPRGKRZSA-N 2 1 361.475 0.761 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359921 1277233592 /nfs/dbraw/zinc/23/35/92/1277233592.db2.gz FPCAXHAGICCLJV-DJIMGWMZSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366260 1277247404 /nfs/dbraw/zinc/24/74/04/1277247404.db2.gz QKDJGDIQTBQBPQ-XJKSGUPXSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579368546 1277249475 /nfs/dbraw/zinc/24/94/75/1277249475.db2.gz AEHJQFIJKIUCDH-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)CC[NH2+]1 ZINC001579489635 1277402751 /nfs/dbraw/zinc/40/27/51/1277402751.db2.gz PDKDKXDKRZWGFG-HOTGVXAUSA-N 2 1 373.505 0.918 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001579493237 1277406598 /nfs/dbraw/zinc/40/65/98/1277406598.db2.gz HZEOIZVVXZZBPB-JTOWHCCKSA-N 2 1 364.494 0.383 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001579700323 1277793869 /nfs/dbraw/zinc/79/38/69/1277793869.db2.gz MMEGDIFCXVHDHH-YRGRVCCFSA-N 2 1 351.451 0.311 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001579700323 1277793874 /nfs/dbraw/zinc/79/38/74/1277793874.db2.gz MMEGDIFCXVHDHH-YRGRVCCFSA-N 2 1 351.451 0.311 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001579950004 1277976008 /nfs/dbraw/zinc/97/60/08/1277976008.db2.gz YIJMJVVMVZBXAM-HNNXBMFYSA-N 2 1 373.461 0.518 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580277269 1278071822 /nfs/dbraw/zinc/07/18/22/1278071822.db2.gz KFZAJAVPJRHYSJ-NWDGAFQWSA-N 2 1 363.491 0.864 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940523 1279148933 /nfs/dbraw/zinc/14/89/33/1279148933.db2.gz AUCRYAZNRIGGPF-BFHYXJOUSA-N 2 1 372.477 0.851 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962488 1279166355 /nfs/dbraw/zinc/16/63/55/1279166355.db2.gz WBWODQBODMSVGE-OLZOCXBDSA-N 2 1 356.434 0.217 20 0 FCADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967486 1279168371 /nfs/dbraw/zinc/16/83/71/1279168371.db2.gz SZZIFWHEWCUANQ-HIFRSBDPSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991415 1279194621 /nfs/dbraw/zinc/19/46/21/1279194621.db2.gz OQFWJEJYACMHCU-OLZOCXBDSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991794 1279196288 /nfs/dbraw/zinc/19/62/88/1279196288.db2.gz WGVGVFAFQOFMOF-QWHCGFSZSA-N 2 1 358.450 0.203 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991792 1279196857 /nfs/dbraw/zinc/19/68/57/1279196857.db2.gz WGVGVFAFQOFMOF-CHWSQXEVSA-N 2 1 358.450 0.203 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994878 1279203589 /nfs/dbraw/zinc/20/35/89/1279203589.db2.gz RZFYOMLDQKUZLI-TZMCWYRMSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996047 1279207955 /nfs/dbraw/zinc/20/79/55/1279207955.db2.gz UTWISCJJGUMQPQ-QWHCGFSZSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024767 1279256572 /nfs/dbraw/zinc/25/65/72/1279256572.db2.gz GXCCDJYCLWYYLC-MRVWCRGKSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(NC[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031740 1279269718 /nfs/dbraw/zinc/26/97/18/1279269718.db2.gz DKTPFSUHMTWBEI-KBPBESRZSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036240 1279273515 /nfs/dbraw/zinc/27/35/15/1279273515.db2.gz HHFDHXWRXNUZKJ-PVXIVEMSSA-N 2 1 370.461 0.203 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039348 1279277598 /nfs/dbraw/zinc/27/75/98/1279277598.db2.gz VBRAOHNUANJUMO-AAVRWANBSA-N 2 1 370.461 0.391 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001715201106 1287346249 /nfs/dbraw/zinc/34/62/49/1287346249.db2.gz CASUNFFPFADKAV-VNHYZAJKSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C2CCCCC2)CC[N@H+]1C ZINC001715587261 1287356527 /nfs/dbraw/zinc/35/65/27/1287356527.db2.gz SYFOAOHLDBDOQN-DJIMGWMZSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581340135 1279721116 /nfs/dbraw/zinc/72/11/16/1279721116.db2.gz OKXUZQOKBVGHEB-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001603459668 1287378735 /nfs/dbraw/zinc/37/87/35/1287378735.db2.gz XJLAVDUJCNFQEZ-STQMWFEESA-N 2 1 372.477 0.863 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001603477138 1287384577 /nfs/dbraw/zinc/38/45/77/1287384577.db2.gz ZBPHMFLUIZZLLC-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581565467 1280144905 /nfs/dbraw/zinc/14/49/05/1280144905.db2.gz SNALLTKHKNVSHN-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C[NH+]1CCCC1 ZINC001603528908 1287405781 /nfs/dbraw/zinc/40/57/81/1287405781.db2.gz UJOHAPFJWJEVRQ-CXAGYDPISA-N 2 1 369.473 0.902 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3ccco3)CCC2)CC[N@H+]1C ZINC001717151355 1287408729 /nfs/dbraw/zinc/40/87/29/1287408729.db2.gz KVAIWZKMDVZBSG-GDBMZVCRSA-N 2 1 362.474 0.865 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717701176 1287431981 /nfs/dbraw/zinc/43/19/81/1287431981.db2.gz UWUKZINDRRGHOW-VNHYZAJKSA-N 2 1 367.494 0.094 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717701176 1287431986 /nfs/dbraw/zinc/43/19/86/1287431986.db2.gz UWUKZINDRRGHOW-VNHYZAJKSA-N 2 1 367.494 0.094 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717701176 1287431992 /nfs/dbraw/zinc/43/19/92/1287431992.db2.gz UWUKZINDRRGHOW-VNHYZAJKSA-N 2 1 367.494 0.094 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603598554 1287432080 /nfs/dbraw/zinc/43/20/80/1287432080.db2.gz IUUGQQGEDLOVDO-KNXALSJPSA-N 2 1 355.446 0.782 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001603855007 1287522768 /nfs/dbraw/zinc/52/27/68/1287522768.db2.gz MDMWIDJOOBSUSG-ISTRZQFTSA-N 2 1 369.473 0.995 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001603855007 1287522771 /nfs/dbraw/zinc/52/27/71/1287522771.db2.gz MDMWIDJOOBSUSG-ISTRZQFTSA-N 2 1 369.473 0.995 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC001718764192 1287562085 /nfs/dbraw/zinc/56/20/85/1287562085.db2.gz FYONQMCSNKVDGP-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001604198685 1287587790 /nfs/dbraw/zinc/58/77/90/1287587790.db2.gz RJUANCHLSNFYLJ-INIZCTEOSA-N 2 1 374.493 0.887 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001589674134 1282936763 /nfs/dbraw/zinc/93/67/63/1282936763.db2.gz UQESFJMZIFPLQZ-UHFFFAOYSA-N 2 1 351.480 0.816 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708583 1282951107 /nfs/dbraw/zinc/95/11/07/1282951107.db2.gz POOUJZJDFIMEQD-CXAGYDPISA-N 2 1 369.473 0.900 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708583 1282951118 /nfs/dbraw/zinc/95/11/18/1282951118.db2.gz POOUJZJDFIMEQD-CXAGYDPISA-N 2 1 369.473 0.900 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716275 1282959681 /nfs/dbraw/zinc/95/96/81/1282959681.db2.gz GACKIRYTDXIHAY-MJSXRHKHSA-N 2 1 370.461 0.641 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001604357373 1287612818 /nfs/dbraw/zinc/61/28/18/1287612818.db2.gz ZZOQVPBGFWWAPI-KRWDZBQOSA-N 2 1 369.473 0.902 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001590196168 1283305106 /nfs/dbraw/zinc/30/51/06/1283305106.db2.gz DGFZCHFUXMVDAD-XFJVYGCCSA-N 2 1 355.446 0.652 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001590196168 1283305117 /nfs/dbraw/zinc/30/51/17/1283305117.db2.gz DGFZCHFUXMVDAD-XFJVYGCCSA-N 2 1 355.446 0.652 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590732919 1283767218 /nfs/dbraw/zinc/76/72/18/1283767218.db2.gz IVOMLDQDPVWSEP-HNNXBMFYSA-N 2 1 358.450 0.476 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC001683948419 1284133429 /nfs/dbraw/zinc/13/34/29/1284133429.db2.gz SXWLXKLWIHSVDB-ZBFHGGJFSA-N 2 1 351.495 0.275 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001591174603 1284263971 /nfs/dbraw/zinc/26/39/71/1284263971.db2.gz YNWUTCFLXVOGJW-SFHVURJKSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175136 1284264354 /nfs/dbraw/zinc/26/43/54/1284264354.db2.gz HXLYYEVLXCNGKO-CQSZACIVSA-N 2 1 361.425 0.553 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591176332 1284270584 /nfs/dbraw/zinc/27/05/84/1284270584.db2.gz NTMFOIHODGOJKA-UPJWGTAASA-N 2 1 356.434 0.085 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001591189686 1284306319 /nfs/dbraw/zinc/30/63/19/1284306319.db2.gz VSQGYCKYHNDVOD-OAHLLOKOSA-N 2 1 361.425 0.696 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001591215442 1284349277 /nfs/dbraw/zinc/34/92/77/1284349277.db2.gz JSTZQFMBMPECIL-LRDDRELGSA-N 2 1 355.446 0.512 20 0 FCADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684182 1287731239 /nfs/dbraw/zinc/73/12/39/1287731239.db2.gz XEWNARHBCMNZJH-IRXDYDNUSA-N 2 1 360.462 0.943 20 0 FCADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684182 1287731244 /nfs/dbraw/zinc/73/12/44/1287731244.db2.gz XEWNARHBCMNZJH-IRXDYDNUSA-N 2 1 360.462 0.943 20 0 FCADMP COc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1-c1nn[nH]n1 ZINC001591525352 1284711937 /nfs/dbraw/zinc/71/19/37/1284711937.db2.gz HQAJPCSGPUJTDG-UHFFFAOYSA-N 2 1 359.478 0.945 20 0 FCADMP Cc1cc(NC[C@H]2CC[N@@H+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[NH+]2C)[nH+]1 ZINC001592044816 1285085113 /nfs/dbraw/zinc/08/51/13/1285085113.db2.gz JQMADCOBVZYEPG-OLZOCXBDSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@@H+]2C)[nH+]1 ZINC001592044816 1285085120 /nfs/dbraw/zinc/08/51/20/1285085120.db2.gz JQMADCOBVZYEPG-OLZOCXBDSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@H+]2C)[nH+]1 ZINC001592044816 1285085126 /nfs/dbraw/zinc/08/51/26/1285085126.db2.gz JQMADCOBVZYEPG-OLZOCXBDSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592045420 1285085881 /nfs/dbraw/zinc/08/58/81/1285085881.db2.gz DFLBZIYUCWYENC-BLLLJJGKSA-N 2 1 372.477 0.783 20 0 FCADMP CN(CCC[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)CC[NH+](C)C ZINC001609267800 1289032459 /nfs/dbraw/zinc/03/24/59/1289032459.db2.gz NNMIOLZLEQFZIW-KRWDZBQOSA-N 2 1 361.494 0.715 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3ccc(-c4nn[nH]n4)cc32)CC1 ZINC001609285499 1289050709 /nfs/dbraw/zinc/05/07/09/1289050709.db2.gz ZYHYVTMHZXBUNU-MRXNPFEDSA-N 2 1 355.446 0.608 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001707221104 1287062955 /nfs/dbraw/zinc/06/29/55/1287062955.db2.gz DRHVCEBQCXSKCS-KURKYZTESA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001707221104 1287062963 /nfs/dbraw/zinc/06/29/63/1287062963.db2.gz DRHVCEBQCXSKCS-KURKYZTESA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC2(CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001604855320 1287799089 /nfs/dbraw/zinc/79/90/89/1287799089.db2.gz DBUXUFOEMBCNMH-HNNXBMFYSA-N 2 1 355.446 0.811 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001604854677 1287799669 /nfs/dbraw/zinc/79/96/69/1287799669.db2.gz RCJVGKKFXXKBMD-BHYGNILZSA-N 2 1 369.473 0.945 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001724786370 1288450120 /nfs/dbraw/zinc/45/01/20/1288450120.db2.gz PMWQHYPAPDSBBM-MGPQQGTHSA-N 2 1 367.494 0.189 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001727551504 1288517031 /nfs/dbraw/zinc/51/70/31/1288517031.db2.gz ISCHKCFJJYTWMH-JKSUJKDBSA-N 2 1 350.511 0.949 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731771340 1288563209 /nfs/dbraw/zinc/56/32/09/1288563209.db2.gz QOTHWEMSLLJHKH-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731771340 1288563212 /nfs/dbraw/zinc/56/32/12/1288563212.db2.gz QOTHWEMSLLJHKH-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731771340 1288563214 /nfs/dbraw/zinc/56/32/14/1288563214.db2.gz QOTHWEMSLLJHKH-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731771340 1288563216 /nfs/dbraw/zinc/56/32/16/1288563216.db2.gz QOTHWEMSLLJHKH-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H](F)CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691907113 1289339553 /nfs/dbraw/zinc/33/95/53/1289339553.db2.gz GMTWXDQJIIDMTD-YRGRVCCFSA-N 2 1 353.442 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CCO ZINC001692031505 1289371688 /nfs/dbraw/zinc/37/16/88/1289371688.db2.gz FZWBTVZMMPFEEJ-BPQIPLTHSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H](F)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001692130739 1289402418 /nfs/dbraw/zinc/40/24/18/1289402418.db2.gz QVRJOERJEITJOK-YRGRVCCFSA-N 2 1 353.442 0.976 20 0 FCADMP CC[C@@H](F)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001692130739 1289402421 /nfs/dbraw/zinc/40/24/21/1289402421.db2.gz QVRJOERJEITJOK-YRGRVCCFSA-N 2 1 353.442 0.976 20 0 FCADMP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001692284615 1289442724 /nfs/dbraw/zinc/44/27/24/1289442724.db2.gz ZVMLDQOGOKXWKI-KSZLIROESA-N 2 1 353.507 0.650 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001692284615 1289442730 /nfs/dbraw/zinc/44/27/30/1289442730.db2.gz ZVMLDQOGOKXWKI-KSZLIROESA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001692289729 1289444600 /nfs/dbraw/zinc/44/46/00/1289444600.db2.gz YUHKPDKQBKNLOZ-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001698747730 1289534720 /nfs/dbraw/zinc/53/47/20/1289534720.db2.gz HISOFHLHFOCRQO-BFYDXBDKSA-N 2 1 364.490 0.920 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001698747463 1289535011 /nfs/dbraw/zinc/53/50/11/1289535011.db2.gz DKWLKIAEGRGRAK-MGPQQGTHSA-N 2 1 369.510 0.293 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001698988141 1289540803 /nfs/dbraw/zinc/54/08/03/1289540803.db2.gz RAVLBWVLOYWPJZ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001698988141 1289540808 /nfs/dbraw/zinc/54/08/08/1289540808.db2.gz RAVLBWVLOYWPJZ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001698988141 1289540815 /nfs/dbraw/zinc/54/08/15/1289540815.db2.gz RAVLBWVLOYWPJZ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001698988141 1289540819 /nfs/dbraw/zinc/54/08/19/1289540819.db2.gz RAVLBWVLOYWPJZ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H](CC[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699101033 1289545563 /nfs/dbraw/zinc/54/55/63/1289545563.db2.gz AQNPMRHBMJERIP-BFHYXJOUSA-N 2 1 351.499 0.753 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001699258381 1289548460 /nfs/dbraw/zinc/54/84/60/1289548460.db2.gz CKSLOQIHWRYJCB-SSBHQGKESA-N 2 1 350.463 0.128 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC001616264918 1289773303 /nfs/dbraw/zinc/77/33/03/1289773303.db2.gz AWIHTDXJZIOSEF-UHFFFAOYSA-N 2 1 365.522 0.763 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001739384750 1289892668 /nfs/dbraw/zinc/89/26/68/1289892668.db2.gz IZBZLZPOBCRUDX-DLBZAZTESA-N 2 1 361.490 0.983 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001739384750 1289892677 /nfs/dbraw/zinc/89/26/77/1289892677.db2.gz IZBZLZPOBCRUDX-DLBZAZTESA-N 2 1 361.490 0.983 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CCC)C[C@H]1O ZINC001739447529 1290010379 /nfs/dbraw/zinc/01/03/79/1290010379.db2.gz BIVRROLGOJLNCP-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1O ZINC001739447529 1290010389 /nfs/dbraw/zinc/01/03/89/1290010389.db2.gz BIVRROLGOJLNCP-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1O ZINC001739447529 1290010401 /nfs/dbraw/zinc/01/04/01/1290010401.db2.gz BIVRROLGOJLNCP-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001628009688 1290501147 /nfs/dbraw/zinc/50/11/47/1290501147.db2.gz PNFRRLADQXCNCK-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001752941209 1290616404 /nfs/dbraw/zinc/61/64/04/1290616404.db2.gz FSTQDHKCBGJAHX-HRCADAONSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001754242263 1290626378 /nfs/dbraw/zinc/62/63/78/1290626378.db2.gz LRZMCGKFZPJHFR-OLMNPRSZSA-N 2 1 356.474 0.755 20 0 FCADMP C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001754242263 1290626379 /nfs/dbraw/zinc/62/63/79/1290626379.db2.gz LRZMCGKFZPJHFR-OLMNPRSZSA-N 2 1 356.474 0.755 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001754441861 1290627972 /nfs/dbraw/zinc/62/79/72/1290627972.db2.gz SASVVMUDYXOQKI-GVDBMIGSSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001755154518 1290640279 /nfs/dbraw/zinc/64/02/79/1290640279.db2.gz ROOUGZPZJMVRPR-NVXWUHKLSA-N 2 1 361.490 0.568 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CC(=O)NC(C)C)CC2)CC[N@@H+]1C ZINC001755177830 1290640326 /nfs/dbraw/zinc/64/03/26/1290640326.db2.gz DMAJTPLPUFXEIT-JKSUJKDBSA-N 2 1 368.522 0.184 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CC(=O)NC(C)C)CC2)CC[N@H+]1C ZINC001755177830 1290640331 /nfs/dbraw/zinc/64/03/31/1290640331.db2.gz DMAJTPLPUFXEIT-JKSUJKDBSA-N 2 1 368.522 0.184 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001757229779 1290747235 /nfs/dbraw/zinc/74/72/35/1290747235.db2.gz TVEGGRRJKKKATC-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+](CC)C1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001764970524 1290886731 /nfs/dbraw/zinc/88/67/31/1290886731.db2.gz MUFXIEFCLKQOSS-GOSISDBHSA-N 2 1 350.511 0.964 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)CC1 ZINC001653142203 1291325357 /nfs/dbraw/zinc/32/53/57/1291325357.db2.gz IMAQYVDHBZFSFD-UHFFFAOYSA-N 2 1 373.563 0.417 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311853 1291406110 /nfs/dbraw/zinc/40/61/10/1291406110.db2.gz BFFKDRIUUKOIST-ROUUACIJSA-N 2 1 373.501 0.431 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cn2)CC1 ZINC001655666190 1291480186 /nfs/dbraw/zinc/48/01/86/1291480186.db2.gz MBRWLMUKQIYMPO-HZPDHXFCSA-N 2 1 367.519 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001663723342 1291763861 /nfs/dbraw/zinc/76/38/61/1291763861.db2.gz VZRFPASFJIHQGT-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NCc2ccco2)C2CC2)CC[N@@H+]1C ZINC001663723342 1291763863 /nfs/dbraw/zinc/76/38/63/1291763863.db2.gz VZRFPASFJIHQGT-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001663723342 1291763865 /nfs/dbraw/zinc/76/38/65/1291763865.db2.gz VZRFPASFJIHQGT-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NCc2ccco2)C2CC2)CC[NH+]1C ZINC001663723342 1291763869 /nfs/dbraw/zinc/76/38/69/1291763869.db2.gz VZRFPASFJIHQGT-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NCc2ccco2)C2CC2)CC[NH+]1C ZINC001663723342 1291763870 /nfs/dbraw/zinc/76/38/70/1291763870.db2.gz VZRFPASFJIHQGT-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP COC[C@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001664876406 1291821060 /nfs/dbraw/zinc/82/10/60/1291821060.db2.gz VFYIJIZEXQLEDY-BZUAXINKSA-N 2 1 350.463 0.691 20 0 FCADMP COC[C@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001664876406 1291821071 /nfs/dbraw/zinc/82/10/71/1291821071.db2.gz VFYIJIZEXQLEDY-BZUAXINKSA-N 2 1 350.463 0.691 20 0 FCADMP CCN(CC[NH2+][C@H](C)C(=O)Nc1ncccn1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435615 1291964727 /nfs/dbraw/zinc/96/47/27/1291964727.db2.gz MFTKZFWHPZBWDY-RBSFLKMASA-N 2 1 362.478 0.582 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001689075793 1294595766 /nfs/dbraw/zinc/59/57/66/1294595766.db2.gz ALQOKKZVTSZPFR-HZPDHXFCSA-N 2 1 365.478 0.123 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001689177072 1294643344 /nfs/dbraw/zinc/64/33/44/1294643344.db2.gz WGSDXLIXLMZLSC-JKSUJKDBSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001689177072 1294643356 /nfs/dbraw/zinc/64/33/56/1294643356.db2.gz WGSDXLIXLMZLSC-JKSUJKDBSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001689177072 1294643368 /nfs/dbraw/zinc/64/33/68/1294643368.db2.gz WGSDXLIXLMZLSC-JKSUJKDBSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001689186593 1294656562 /nfs/dbraw/zinc/65/65/62/1294656562.db2.gz RDPWOJGYYFYBHZ-JKSUJKDBSA-N 2 1 350.463 0.817 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001689186593 1294656566 /nfs/dbraw/zinc/65/65/66/1294656566.db2.gz RDPWOJGYYFYBHZ-JKSUJKDBSA-N 2 1 350.463 0.817 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231414 1294687381 /nfs/dbraw/zinc/68/73/81/1294687381.db2.gz DZXWVPKKUWDUDS-NXHRZFHOSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231414 1294687392 /nfs/dbraw/zinc/68/73/92/1294687392.db2.gz DZXWVPKKUWDUDS-NXHRZFHOSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231414 1294687406 /nfs/dbraw/zinc/68/74/06/1294687406.db2.gz DZXWVPKKUWDUDS-NXHRZFHOSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001689291810 1294715456 /nfs/dbraw/zinc/71/54/56/1294715456.db2.gz IDUZWRKYPRLRPL-KBMXLJTQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001689291810 1294715465 /nfs/dbraw/zinc/71/54/65/1294715465.db2.gz IDUZWRKYPRLRPL-KBMXLJTQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001689721276 1294831966 /nfs/dbraw/zinc/83/19/66/1294831966.db2.gz VJMRQVDXRMJNGX-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001689721276 1294831976 /nfs/dbraw/zinc/83/19/76/1294831976.db2.gz VJMRQVDXRMJNGX-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP COCCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690656970 1294878651 /nfs/dbraw/zinc/87/86/51/1294878651.db2.gz DBMNQVDDDOAJCM-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2CC[NH2+]CC3)c2c1CC[NH2+]C2 ZINC001164685119 719602755 /nfs/dbraw/zinc/60/27/55/719602755.db2.gz REZBIKWEPWBYQT-UHFFFAOYSA-N 3 1 355.490 0.836 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2CC[NH2+]CC3)c2c1CC[NH2+]C2 ZINC001164685119 719602759 /nfs/dbraw/zinc/60/27/59/719602759.db2.gz REZBIKWEPWBYQT-UHFFFAOYSA-N 3 1 355.490 0.836 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(Cl)nc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164683023 719627096 /nfs/dbraw/zinc/62/70/96/719627096.db2.gz QISYQXFAQQNPOX-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(Cl)nc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164683023 719627099 /nfs/dbraw/zinc/62/70/99/719627099.db2.gz QISYQXFAQQNPOX-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(C(=O)N(C)C)n2)c2c1CC[NH2+]C2 ZINC001164679783 719643344 /nfs/dbraw/zinc/64/33/44/719643344.db2.gz MXSBCKNHJSUAJM-UHFFFAOYSA-N 2 1 357.462 0.850 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(C(=O)N(C)C)n2)c2c1CC[NH2+]C2 ZINC001164679783 719643349 /nfs/dbraw/zinc/64/33/49/719643349.db2.gz MXSBCKNHJSUAJM-UHFFFAOYSA-N 2 1 357.462 0.850 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164718510 720218839 /nfs/dbraw/zinc/21/88/39/720218839.db2.gz MPLNJBUPCNDWCK-IBGZPJMESA-N 2 1 361.490 0.812 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164718510 720218848 /nfs/dbraw/zinc/21/88/48/720218848.db2.gz MPLNJBUPCNDWCK-IBGZPJMESA-N 2 1 361.490 0.812 20 0 FCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@@H+]3C2)cn1 ZINC001164741509 720610281 /nfs/dbraw/zinc/61/02/81/720610281.db2.gz LIMZNRLFWRFZFL-CABCVRRESA-N 2 1 367.457 0.297 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164865666 721085588 /nfs/dbraw/zinc/08/55/88/721085588.db2.gz OEXURPXZQDQZQV-DLBZAZTESA-N 2 1 352.442 0.955 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164771677 721090414 /nfs/dbraw/zinc/09/04/14/721090414.db2.gz STZVEZRWLSHRNI-WBVHZDCISA-N 2 1 353.474 0.814 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926027 721871851 /nfs/dbraw/zinc/87/18/51/721871851.db2.gz PYTANNMYYFEKRS-DLBZAZTESA-N 2 1 359.522 0.619 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926027 721871852 /nfs/dbraw/zinc/87/18/52/721871852.db2.gz PYTANNMYYFEKRS-DLBZAZTESA-N 2 1 359.522 0.619 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[NH+]2CCCC2)O1 ZINC001067466945 837460073 /nfs/dbraw/zinc/46/00/73/837460073.db2.gz NCKIJTGJLFHJSC-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[NH+]2CCCC2)O1 ZINC001067466945 837460082 /nfs/dbraw/zinc/46/00/82/837460082.db2.gz NCKIJTGJLFHJSC-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712831 837475187 /nfs/dbraw/zinc/47/51/87/837475187.db2.gz TYDLBPYJIVCMQS-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712831 837475192 /nfs/dbraw/zinc/47/51/92/837475192.db2.gz TYDLBPYJIVCMQS-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CC[NH+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712831 837475195 /nfs/dbraw/zinc/47/51/95/837475195.db2.gz TYDLBPYJIVCMQS-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CC[NH+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712831 837475198 /nfs/dbraw/zinc/47/51/98/837475198.db2.gz TYDLBPYJIVCMQS-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925121 837565302 /nfs/dbraw/zinc/56/53/02/837565302.db2.gz WOCWXXSPUFDCRI-OAGGEKHMSA-N 2 1 350.467 0.139 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925121 837565305 /nfs/dbraw/zinc/56/53/05/837565305.db2.gz WOCWXXSPUFDCRI-OAGGEKHMSA-N 2 1 350.467 0.139 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925121 837565309 /nfs/dbraw/zinc/56/53/09/837565309.db2.gz WOCWXXSPUFDCRI-OAGGEKHMSA-N 2 1 350.467 0.139 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925121 837565313 /nfs/dbraw/zinc/56/53/13/837565313.db2.gz WOCWXXSPUFDCRI-OAGGEKHMSA-N 2 1 350.467 0.139 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069929099 837565377 /nfs/dbraw/zinc/56/53/77/837565377.db2.gz VAVJXQILRCVJCD-XHSDSOJGSA-N 2 1 350.442 0.321 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070158855 837628328 /nfs/dbraw/zinc/62/83/28/837628328.db2.gz WAHUDWLQHNMKLV-KFWWJZLASA-N 2 1 361.475 0.371 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070158855 837628330 /nfs/dbraw/zinc/62/83/30/837628330.db2.gz WAHUDWLQHNMKLV-KFWWJZLASA-N 2 1 361.475 0.371 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+](C)C)CCOCC2)CC[N@H+]1C ZINC001070238926 837637300 /nfs/dbraw/zinc/63/73/00/837637300.db2.gz LWXUQNDAXBFPAA-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001070576939 837660350 /nfs/dbraw/zinc/66/03/50/837660350.db2.gz JBFDGURJIPYOFT-HZSPNIEDSA-N 2 1 350.467 0.591 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001070576939 837660352 /nfs/dbraw/zinc/66/03/52/837660352.db2.gz JBFDGURJIPYOFT-HZSPNIEDSA-N 2 1 350.467 0.591 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001070576939 837660354 /nfs/dbraw/zinc/66/03/54/837660354.db2.gz JBFDGURJIPYOFT-HZSPNIEDSA-N 2 1 350.467 0.591 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913524 837693797 /nfs/dbraw/zinc/69/37/97/837693797.db2.gz ONZIKKWAYLCGTJ-XHSDSOJGSA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913524 837693807 /nfs/dbraw/zinc/69/38/07/837693807.db2.gz ONZIKKWAYLCGTJ-XHSDSOJGSA-N 2 1 350.463 0.597 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913524 837693812 /nfs/dbraw/zinc/69/38/12/837693812.db2.gz ONZIKKWAYLCGTJ-XHSDSOJGSA-N 2 1 350.463 0.597 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913524 837693825 /nfs/dbraw/zinc/69/38/25/837693825.db2.gz ONZIKKWAYLCGTJ-XHSDSOJGSA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)C1 ZINC001071105237 837735186 /nfs/dbraw/zinc/73/51/86/837735186.db2.gz LBMBBMPUTFJYCQ-ZACQAIPSSA-N 2 1 357.470 0.662 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)C1 ZINC001071105237 837735193 /nfs/dbraw/zinc/73/51/93/837735193.db2.gz LBMBBMPUTFJYCQ-ZACQAIPSSA-N 2 1 357.470 0.662 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106711 837735388 /nfs/dbraw/zinc/73/53/88/837735388.db2.gz QODZLWSYEZGBAZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)[C@@H]2C)CC[N@@H+]1C ZINC001074661879 837821749 /nfs/dbraw/zinc/82/17/49/837821749.db2.gz POZXPMOECNHEMW-BARDWOONSA-N 2 1 352.458 0.667 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)[C@@H]2C)CC[N@H+]1C ZINC001074661879 837821765 /nfs/dbraw/zinc/82/17/65/837821765.db2.gz POZXPMOECNHEMW-BARDWOONSA-N 2 1 352.458 0.667 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074710994 837826939 /nfs/dbraw/zinc/82/69/39/837826939.db2.gz MJBWJSQSBZOULB-VZZFWQQMSA-N 2 1 353.492 0.645 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074710994 837826945 /nfs/dbraw/zinc/82/69/45/837826945.db2.gz MJBWJSQSBZOULB-VZZFWQQMSA-N 2 1 353.492 0.645 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001099307046 844015623 /nfs/dbraw/zinc/01/56/23/844015623.db2.gz ACXUQRYSWLLHLN-UPJWGTAASA-N 2 1 362.400 0.634 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001099308317 844016857 /nfs/dbraw/zinc/01/68/57/844016857.db2.gz YELPYBIRHQLUMT-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341611 844034377 /nfs/dbraw/zinc/03/43/77/844034377.db2.gz KTNSIMQNSWPVBT-CYZMBNFOSA-N 2 1 360.384 0.246 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341611 844034383 /nfs/dbraw/zinc/03/43/83/844034383.db2.gz KTNSIMQNSWPVBT-CYZMBNFOSA-N 2 1 360.384 0.246 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268524 844126380 /nfs/dbraw/zinc/12/63/80/844126380.db2.gz FQTMEMLDMORXGV-QAPCUYQASA-N 2 1 371.547 0.686 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268524 844126383 /nfs/dbraw/zinc/12/63/83/844126383.db2.gz FQTMEMLDMORXGV-QAPCUYQASA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268524 844126389 /nfs/dbraw/zinc/12/63/89/844126389.db2.gz FQTMEMLDMORXGV-QAPCUYQASA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268524 844126394 /nfs/dbraw/zinc/12/63/94/844126394.db2.gz FQTMEMLDMORXGV-QAPCUYQASA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=S)NCCC[NH+]1CCOCC1 ZINC000746553178 836189680 /nfs/dbraw/zinc/18/96/80/836189680.db2.gz YDXYOJAXLLFZQU-BRWVUGGUSA-N 2 1 370.563 0.767 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300249 844139039 /nfs/dbraw/zinc/13/90/39/844139039.db2.gz PGAIMIKHSPOPNS-AEFFLSMTSA-N 2 1 350.463 0.635 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300249 844139044 /nfs/dbraw/zinc/13/90/44/844139044.db2.gz PGAIMIKHSPOPNS-AEFFLSMTSA-N 2 1 350.463 0.635 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000747652273 836254437 /nfs/dbraw/zinc/25/44/37/836254437.db2.gz JCNHWPDWGCOLJT-GJZGRUSLSA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000747652273 836254452 /nfs/dbraw/zinc/25/44/52/836254452.db2.gz JCNHWPDWGCOLJT-GJZGRUSLSA-N 2 1 356.536 0.914 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339784 844151307 /nfs/dbraw/zinc/15/13/07/844151307.db2.gz GJEHFCHNGMAUMA-LVEJAMMSSA-N 2 1 353.507 0.504 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339784 844151313 /nfs/dbraw/zinc/15/13/13/844151313.db2.gz GJEHFCHNGMAUMA-LVEJAMMSSA-N 2 1 353.507 0.504 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339784 844151316 /nfs/dbraw/zinc/15/13/16/844151316.db2.gz GJEHFCHNGMAUMA-LVEJAMMSSA-N 2 1 353.507 0.504 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345185 844153748 /nfs/dbraw/zinc/15/37/48/844153748.db2.gz XHSJJSSOLFPKGU-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC001101352353 844156353 /nfs/dbraw/zinc/15/63/53/844156353.db2.gz BXCYYHZYWMHBLY-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101353073 844156552 /nfs/dbraw/zinc/15/65/52/844156552.db2.gz SAUQPEVKWPTFFI-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393815 844172216 /nfs/dbraw/zinc/17/22/16/844172216.db2.gz HEWQCVPYRDMURD-MJGOQNOKSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393815 844172221 /nfs/dbraw/zinc/17/22/21/844172221.db2.gz HEWQCVPYRDMURD-MJGOQNOKSA-N 2 1 353.507 0.914 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101439846 844186708 /nfs/dbraw/zinc/18/67/08/844186708.db2.gz BUNXNNUUFWOEHO-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101439846 844186712 /nfs/dbraw/zinc/18/67/12/844186712.db2.gz BUNXNNUUFWOEHO-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101439846 844186715 /nfs/dbraw/zinc/18/67/15/844186715.db2.gz BUNXNNUUFWOEHO-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101443296 844186763 /nfs/dbraw/zinc/18/67/63/844186763.db2.gz DOISKYGHSQBTIM-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101443296 844186769 /nfs/dbraw/zinc/18/67/69/844186769.db2.gz DOISKYGHSQBTIM-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101443296 844186772 /nfs/dbraw/zinc/18/67/72/844186772.db2.gz DOISKYGHSQBTIM-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460361 844192877 /nfs/dbraw/zinc/19/28/77/844192877.db2.gz BGFNPIDINMCTRE-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460361 844192886 /nfs/dbraw/zinc/19/28/86/844192886.db2.gz BGFNPIDINMCTRE-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460361 844192896 /nfs/dbraw/zinc/19/28/96/844192896.db2.gz BGFNPIDINMCTRE-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474036 844198713 /nfs/dbraw/zinc/19/87/13/844198713.db2.gz CITMVBLAWJFZIQ-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474174 844199315 /nfs/dbraw/zinc/19/93/15/844199315.db2.gz KQZGCUIYYAUATI-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101476123 844200087 /nfs/dbraw/zinc/20/00/87/844200087.db2.gz CXBYDLOYBRPBIR-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476123 844200098 /nfs/dbraw/zinc/20/00/98/844200098.db2.gz CXBYDLOYBRPBIR-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476123 844200105 /nfs/dbraw/zinc/20/01/05/844200105.db2.gz CXBYDLOYBRPBIR-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101476461 844201557 /nfs/dbraw/zinc/20/15/57/844201557.db2.gz TYNNAVQTXQTVIV-WBVHZDCISA-N 2 1 359.536 0.542 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101476461 844201570 /nfs/dbraw/zinc/20/15/70/844201570.db2.gz TYNNAVQTXQTVIV-WBVHZDCISA-N 2 1 359.536 0.542 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101476461 844201578 /nfs/dbraw/zinc/20/15/78/844201578.db2.gz TYNNAVQTXQTVIV-WBVHZDCISA-N 2 1 359.536 0.542 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101476461 844201588 /nfs/dbraw/zinc/20/15/88/844201588.db2.gz TYNNAVQTXQTVIV-WBVHZDCISA-N 2 1 359.536 0.542 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478593 844204246 /nfs/dbraw/zinc/20/42/46/844204246.db2.gz WACFVHOZCAOYAP-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478593 844204253 /nfs/dbraw/zinc/20/42/53/844204253.db2.gz WACFVHOZCAOYAP-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478593 844204259 /nfs/dbraw/zinc/20/42/59/844204259.db2.gz WACFVHOZCAOYAP-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001075940200 837931147 /nfs/dbraw/zinc/93/11/47/837931147.db2.gz COXJBPLMBGAYQV-USXIJHARSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001075940200 837931154 /nfs/dbraw/zinc/93/11/54/837931154.db2.gz COXJBPLMBGAYQV-USXIJHARSA-N 2 1 350.507 0.918 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815739 844280239 /nfs/dbraw/zinc/28/02/39/844280239.db2.gz QPKGCYXRRXUDLQ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815739 844280242 /nfs/dbraw/zinc/28/02/42/844280242.db2.gz QPKGCYXRRXUDLQ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815739 844280247 /nfs/dbraw/zinc/28/02/47/844280247.db2.gz QPKGCYXRRXUDLQ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588738 838023231 /nfs/dbraw/zinc/02/32/31/838023231.db2.gz DEOIBKBTRCYEJQ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588738 838023242 /nfs/dbraw/zinc/02/32/42/838023242.db2.gz DEOIBKBTRCYEJQ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588738 838023254 /nfs/dbraw/zinc/02/32/54/838023254.db2.gz DEOIBKBTRCYEJQ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588738 838023265 /nfs/dbraw/zinc/02/32/65/838023265.db2.gz DEOIBKBTRCYEJQ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002934 838207342 /nfs/dbraw/zinc/20/73/42/838207342.db2.gz MJIJLVDXABOGHK-ARFHVFGLSA-N 2 1 350.488 0.189 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002934 838207351 /nfs/dbraw/zinc/20/73/51/838207351.db2.gz MJIJLVDXABOGHK-ARFHVFGLSA-N 2 1 350.488 0.189 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077023528 838222377 /nfs/dbraw/zinc/22/23/77/838222377.db2.gz FEFJNRWZJBDALK-VDHUWJSZSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077023528 838222387 /nfs/dbraw/zinc/22/23/87/838222387.db2.gz FEFJNRWZJBDALK-VDHUWJSZSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077023528 838222399 /nfs/dbraw/zinc/22/23/99/838222399.db2.gz FEFJNRWZJBDALK-VDHUWJSZSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975825 844356962 /nfs/dbraw/zinc/35/69/62/844356962.db2.gz CPLRRBYTBXDAOI-OIISXLGYSA-N 2 1 350.507 0.537 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299417 838887661 /nfs/dbraw/zinc/88/76/61/838887661.db2.gz AHXTUYIMQWBERU-BRWVUGGUSA-N 2 1 351.491 0.593 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001077395179 838946832 /nfs/dbraw/zinc/94/68/32/838946832.db2.gz XOTFSPINSBKILF-ZACQAIPSSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001077395179 838946835 /nfs/dbraw/zinc/94/68/35/838946835.db2.gz XOTFSPINSBKILF-ZACQAIPSSA-N 2 1 350.463 0.558 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001077394896 838947874 /nfs/dbraw/zinc/94/78/74/838947874.db2.gz JFSHXACHULOWIC-IXDOHACOSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001077394896 838947887 /nfs/dbraw/zinc/94/78/87/838947887.db2.gz JFSHXACHULOWIC-IXDOHACOSA-N 2 1 350.463 0.294 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566854 839040585 /nfs/dbraw/zinc/04/05/85/839040585.db2.gz QNNINYMOVQHTQU-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566854 839040597 /nfs/dbraw/zinc/04/05/97/839040597.db2.gz QNNINYMOVQHTQU-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566854 839040607 /nfs/dbraw/zinc/04/06/07/839040607.db2.gz QNNINYMOVQHTQU-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566854 839040621 /nfs/dbraw/zinc/04/06/21/839040621.db2.gz QNNINYMOVQHTQU-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046077 844393897 /nfs/dbraw/zinc/39/38/97/844393897.db2.gz LKIAZTMRIGDOIQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047896 844395716 /nfs/dbraw/zinc/39/57/16/844395716.db2.gz XDKQGBSGZPGOFK-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059578 844399657 /nfs/dbraw/zinc/39/96/57/844399657.db2.gz VWUCHVUUMLRHCH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059578 844399662 /nfs/dbraw/zinc/39/96/62/844399662.db2.gz VWUCHVUUMLRHCH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059578 844399669 /nfs/dbraw/zinc/39/96/69/844399669.db2.gz VWUCHVUUMLRHCH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC[C@@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685348 839111954 /nfs/dbraw/zinc/11/19/54/839111954.db2.gz LVTHHCDBTGIVNO-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685348 839111959 /nfs/dbraw/zinc/11/19/59/839111959.db2.gz LVTHHCDBTGIVNO-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685348 839111967 /nfs/dbraw/zinc/11/19/67/839111967.db2.gz LVTHHCDBTGIVNO-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077685700 839114767 /nfs/dbraw/zinc/11/47/67/839114767.db2.gz ZFIDXZBHTQSKQZ-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077685700 839114776 /nfs/dbraw/zinc/11/47/76/839114776.db2.gz ZFIDXZBHTQSKQZ-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077685700 839114782 /nfs/dbraw/zinc/11/47/82/839114782.db2.gz ZFIDXZBHTQSKQZ-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077765400 839143578 /nfs/dbraw/zinc/14/35/78/839143578.db2.gz MARNVUXFCJIIMC-ARFHVFGLSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077765400 839143586 /nfs/dbraw/zinc/14/35/86/839143586.db2.gz MARNVUXFCJIIMC-ARFHVFGLSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001102071122 844404516 /nfs/dbraw/zinc/40/45/16/844404516.db2.gz FIQHKGNYTQBIJQ-OAGGEKHMSA-N 2 1 353.511 0.282 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001077779464 839153686 /nfs/dbraw/zinc/15/36/86/839153686.db2.gz OVXZLPGUFYDEKQ-QZTJIDSGSA-N 2 1 353.507 0.696 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114735 844421001 /nfs/dbraw/zinc/42/10/01/844421001.db2.gz ALCWFVRHVZJTNU-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102114735 844421005 /nfs/dbraw/zinc/42/10/05/844421005.db2.gz ALCWFVRHVZJTNU-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102114735 844421011 /nfs/dbraw/zinc/42/10/11/844421011.db2.gz ALCWFVRHVZJTNU-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109722 844418476 /nfs/dbraw/zinc/41/84/76/844418476.db2.gz ZIAFFAZWFGIDKY-MGPQQGTHSA-N 2 1 354.451 0.041 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109722 844418477 /nfs/dbraw/zinc/41/84/77/844418477.db2.gz ZIAFFAZWFGIDKY-MGPQQGTHSA-N 2 1 354.451 0.041 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001078183529 839385750 /nfs/dbraw/zinc/38/57/50/839385750.db2.gz VXWNDNLGOGWRQT-IXDOHACOSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001078183529 839385765 /nfs/dbraw/zinc/38/57/65/839385765.db2.gz VXWNDNLGOGWRQT-IXDOHACOSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)[nH]1 ZINC001078404980 839458544 /nfs/dbraw/zinc/45/85/44/839458544.db2.gz AQENATXDODWBJF-VHDGCEQUSA-N 2 1 350.467 0.160 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)[nH]1 ZINC001078404980 839458548 /nfs/dbraw/zinc/45/85/48/839458548.db2.gz AQENATXDODWBJF-VHDGCEQUSA-N 2 1 350.467 0.160 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264766 844454250 /nfs/dbraw/zinc/45/42/50/844454250.db2.gz YNNSOZWRNNBPJQ-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264766 844454256 /nfs/dbraw/zinc/45/42/56/844454256.db2.gz YNNSOZWRNNBPJQ-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264766 844454258 /nfs/dbraw/zinc/45/42/58/844454258.db2.gz YNNSOZWRNNBPJQ-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCN(C(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079966936 839634174 /nfs/dbraw/zinc/63/41/74/839634174.db2.gz PAZCWJXUQBXANH-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079966936 839634178 /nfs/dbraw/zinc/63/41/78/839634178.db2.gz PAZCWJXUQBXANH-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079966936 839634182 /nfs/dbraw/zinc/63/41/82/839634182.db2.gz PAZCWJXUQBXANH-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080383715 839714034 /nfs/dbraw/zinc/71/40/34/839714034.db2.gz SBNYKSJHUDRUQM-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080444689 839727397 /nfs/dbraw/zinc/72/73/97/839727397.db2.gz ZXBVIMSMCMCOSV-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080444689 839727404 /nfs/dbraw/zinc/72/74/04/839727404.db2.gz ZXBVIMSMCMCOSV-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080444689 839727409 /nfs/dbraw/zinc/72/74/09/839727409.db2.gz ZXBVIMSMCMCOSV-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319061 844465728 /nfs/dbraw/zinc/46/57/28/844465728.db2.gz XCWPWTUUBMUOJI-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)no1 ZINC001102318965 844465909 /nfs/dbraw/zinc/46/59/09/844465909.db2.gz SGQQJRBJMXNUAK-TZMCWYRMSA-N 2 1 351.451 0.557 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)no1 ZINC001102318965 844465915 /nfs/dbraw/zinc/46/59/15/844465915.db2.gz SGQQJRBJMXNUAK-TZMCWYRMSA-N 2 1 351.451 0.557 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787747 839798510 /nfs/dbraw/zinc/79/85/10/839798510.db2.gz PWEGTAVDJAEPDC-GDBMZVCRSA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787747 839798519 /nfs/dbraw/zinc/79/85/19/839798519.db2.gz PWEGTAVDJAEPDC-GDBMZVCRSA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102366397 844476015 /nfs/dbraw/zinc/47/60/15/844476015.db2.gz CZQLOGKRLCNRLB-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102366397 844476019 /nfs/dbraw/zinc/47/60/19/844476019.db2.gz CZQLOGKRLCNRLB-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102366397 844476022 /nfs/dbraw/zinc/47/60/22/844476022.db2.gz CZQLOGKRLCNRLB-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375539 844480696 /nfs/dbraw/zinc/48/06/96/844480696.db2.gz OZFBULUNHROLFF-HUUCEWRRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375539 844480699 /nfs/dbraw/zinc/48/06/99/844480699.db2.gz OZFBULUNHROLFF-HUUCEWRRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375539 844480703 /nfs/dbraw/zinc/48/07/03/844480703.db2.gz OZFBULUNHROLFF-HUUCEWRRSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102419683 844491033 /nfs/dbraw/zinc/49/10/33/844491033.db2.gz QCIPCOYWZKFXPO-HZPDHXFCSA-N 2 1 352.479 0.700 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102419683 844491039 /nfs/dbraw/zinc/49/10/39/844491039.db2.gz QCIPCOYWZKFXPO-HZPDHXFCSA-N 2 1 352.479 0.700 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102427082 844496258 /nfs/dbraw/zinc/49/62/58/844496258.db2.gz AMAZFLNJDOPXFP-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102427082 844496264 /nfs/dbraw/zinc/49/62/64/844496264.db2.gz AMAZFLNJDOPXFP-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102427082 844496270 /nfs/dbraw/zinc/49/62/70/844496270.db2.gz AMAZFLNJDOPXFP-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796511 840034521 /nfs/dbraw/zinc/03/45/21/840034521.db2.gz YUISBDUTEWAMAN-BRWVUGGUSA-N 2 1 355.479 0.092 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796511 840034526 /nfs/dbraw/zinc/03/45/26/840034526.db2.gz YUISBDUTEWAMAN-BRWVUGGUSA-N 2 1 355.479 0.092 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796511 840034534 /nfs/dbraw/zinc/03/45/34/840034534.db2.gz YUISBDUTEWAMAN-BRWVUGGUSA-N 2 1 355.479 0.092 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796511 840034535 /nfs/dbraw/zinc/03/45/35/840034535.db2.gz YUISBDUTEWAMAN-BRWVUGGUSA-N 2 1 355.479 0.092 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894934 840091463 /nfs/dbraw/zinc/09/14/63/840091463.db2.gz KDBFGOXRYOMZFO-GVDBMIGSSA-N 2 1 351.491 0.999 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102475243 844515617 /nfs/dbraw/zinc/51/56/17/844515617.db2.gz FVYHWPZDPUYWGB-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326499 840308790 /nfs/dbraw/zinc/30/87/90/840308790.db2.gz GOROPPAANJFVID-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326499 840308802 /nfs/dbraw/zinc/30/88/02/840308802.db2.gz GOROPPAANJFVID-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326499 840308814 /nfs/dbraw/zinc/30/88/14/840308814.db2.gz GOROPPAANJFVID-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369589 840358027 /nfs/dbraw/zinc/35/80/27/840358027.db2.gz SQNMZBGYOBNXQV-YSVLISHTSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369589 840358035 /nfs/dbraw/zinc/35/80/35/840358035.db2.gz SQNMZBGYOBNXQV-YSVLISHTSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369589 840358041 /nfs/dbraw/zinc/35/80/41/840358041.db2.gz SQNMZBGYOBNXQV-YSVLISHTSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369589 840358047 /nfs/dbraw/zinc/35/80/47/840358047.db2.gz SQNMZBGYOBNXQV-YSVLISHTSA-N 2 1 350.463 0.813 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082560025 840464617 /nfs/dbraw/zinc/46/46/17/840464617.db2.gz XLWJFQBACYOOCD-XPKDYRNWSA-N 2 1 352.458 0.524 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)sn1 ZINC001102510918 844541815 /nfs/dbraw/zinc/54/18/15/844541815.db2.gz BKSZEIUDODFLPG-ZIAGYGMSSA-N 2 1 370.519 0.914 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001082590303 840479458 /nfs/dbraw/zinc/47/94/58/840479458.db2.gz OFURJEWWEMIUSU-BQGCOEIASA-N 2 1 350.438 0.876 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001082590303 840479463 /nfs/dbraw/zinc/47/94/63/840479463.db2.gz OFURJEWWEMIUSU-BQGCOEIASA-N 2 1 350.438 0.876 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082699511 840529070 /nfs/dbraw/zinc/52/90/70/840529070.db2.gz BOWQGJMUFJZHGQ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525240 844553868 /nfs/dbraw/zinc/55/38/68/844553868.db2.gz SAWPLCDYIGRAND-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525240 844553870 /nfs/dbraw/zinc/55/38/70/844553870.db2.gz SAWPLCDYIGRAND-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525240 844553874 /nfs/dbraw/zinc/55/38/74/844553874.db2.gz SAWPLCDYIGRAND-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102580668 844574066 /nfs/dbraw/zinc/57/40/66/844574066.db2.gz GUEBTRBVIFGIBP-FVQBIDKESA-N 2 1 368.503 0.310 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102580668 844574076 /nfs/dbraw/zinc/57/40/76/844574076.db2.gz GUEBTRBVIFGIBP-FVQBIDKESA-N 2 1 368.503 0.310 20 0 FCADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193918 840788488 /nfs/dbraw/zinc/78/84/88/840788488.db2.gz NFVZRRHEXRGVNQ-DAYGRLMNSA-N 2 1 357.470 0.757 20 0 FCADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193918 840788491 /nfs/dbraw/zinc/78/84/91/840788491.db2.gz NFVZRRHEXRGVNQ-DAYGRLMNSA-N 2 1 357.470 0.757 20 0 FCADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193918 840788500 /nfs/dbraw/zinc/78/85/00/840788500.db2.gz NFVZRRHEXRGVNQ-DAYGRLMNSA-N 2 1 357.470 0.757 20 0 FCADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193918 840788510 /nfs/dbraw/zinc/78/85/10/840788510.db2.gz NFVZRRHEXRGVNQ-DAYGRLMNSA-N 2 1 357.470 0.757 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579964 844574569 /nfs/dbraw/zinc/57/45/69/844574569.db2.gz ZIBIEWCVOJETJB-CHWSQXEVSA-N 2 1 364.412 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579964 844574573 /nfs/dbraw/zinc/57/45/73/844574573.db2.gz ZIBIEWCVOJETJB-CHWSQXEVSA-N 2 1 364.412 0.445 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083214201 840802774 /nfs/dbraw/zinc/80/27/74/840802774.db2.gz OLSWEFDSDKUQFA-JKSUJKDBSA-N 2 1 350.463 0.691 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083214201 840802782 /nfs/dbraw/zinc/80/27/82/840802782.db2.gz OLSWEFDSDKUQFA-JKSUJKDBSA-N 2 1 350.463 0.691 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]21 ZINC001083224466 840812415 /nfs/dbraw/zinc/81/24/15/840812415.db2.gz AAPVTSJPWKUVHZ-ZWKOTPCHSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001083224466 840812426 /nfs/dbraw/zinc/81/24/26/840812426.db2.gz AAPVTSJPWKUVHZ-ZWKOTPCHSA-N 2 1 351.491 0.811 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083236330 840820469 /nfs/dbraw/zinc/82/04/69/840820469.db2.gz WNNKQVFDYQBVMX-HYVNUMGLSA-N 2 1 355.479 0.044 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599189 844589212 /nfs/dbraw/zinc/58/92/12/844589212.db2.gz SQHRPEXTBUWDMQ-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596618 844587007 /nfs/dbraw/zinc/58/70/07/844587007.db2.gz POQXOPAYYRCGEJ-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460581 841029004 /nfs/dbraw/zinc/02/90/04/841029004.db2.gz NNASSQDASJTWRK-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474990 841050668 /nfs/dbraw/zinc/05/06/68/841050668.db2.gz LDJFLFHGWOECSH-JJXSEGSLSA-N 2 1 352.504 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@H+]1C ZINC001083474990 841050681 /nfs/dbraw/zinc/05/06/81/841050681.db2.gz LDJFLFHGWOECSH-JJXSEGSLSA-N 2 1 352.504 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001083474990 841050694 /nfs/dbraw/zinc/05/06/94/841050694.db2.gz LDJFLFHGWOECSH-JJXSEGSLSA-N 2 1 352.504 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001083474990 841050711 /nfs/dbraw/zinc/05/07/11/841050711.db2.gz LDJFLFHGWOECSH-JJXSEGSLSA-N 2 1 352.504 0.577 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083594171 841213154 /nfs/dbraw/zinc/21/31/54/841213154.db2.gz PHCHTEPWDKYVSL-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594171 841213161 /nfs/dbraw/zinc/21/31/61/841213161.db2.gz PHCHTEPWDKYVSL-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594171 841213176 /nfs/dbraw/zinc/21/31/76/841213176.db2.gz PHCHTEPWDKYVSL-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644452 841272443 /nfs/dbraw/zinc/27/24/43/841272443.db2.gz HONCHCYBBLYRIN-CVEARBPZSA-N 2 1 357.439 0.808 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644452 841272459 /nfs/dbraw/zinc/27/24/59/841272459.db2.gz HONCHCYBBLYRIN-CVEARBPZSA-N 2 1 357.439 0.808 20 0 FCADMP CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654974 841281632 /nfs/dbraw/zinc/28/16/32/841281632.db2.gz OXUPGZGWHMSIKX-UGLNBPRTSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654974 841281642 /nfs/dbraw/zinc/28/16/42/841281642.db2.gz OXUPGZGWHMSIKX-UGLNBPRTSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654974 841281650 /nfs/dbraw/zinc/28/16/50/841281650.db2.gz OXUPGZGWHMSIKX-UGLNBPRTSA-N 2 1 351.491 0.447 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719849 841354413 /nfs/dbraw/zinc/35/44/13/841354413.db2.gz ZAXSLCTWIFMGKM-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719849 841354418 /nfs/dbraw/zinc/35/44/18/841354418.db2.gz ZAXSLCTWIFMGKM-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719849 841354430 /nfs/dbraw/zinc/35/44/30/841354430.db2.gz ZAXSLCTWIFMGKM-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)C1 ZINC001275801918 861197888 /nfs/dbraw/zinc/19/78/88/861197888.db2.gz YAWUTTAPULLYTG-KRWDZBQOSA-N 2 1 352.523 0.319 20 0 FCADMP CN(C)CC[NH+]1CCCC2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC001275801918 861197896 /nfs/dbraw/zinc/19/78/96/861197896.db2.gz YAWUTTAPULLYTG-KRWDZBQOSA-N 2 1 352.523 0.319 20 0 FCADMP CN(C)CC[NH+]1CCCC2(CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)C1 ZINC001275801918 861197904 /nfs/dbraw/zinc/19/79/04/861197904.db2.gz YAWUTTAPULLYTG-KRWDZBQOSA-N 2 1 352.523 0.319 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC[C@@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781551 841428721 /nfs/dbraw/zinc/42/87/21/841428721.db2.gz LVTHHCDBTGIVNO-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781551 841428725 /nfs/dbraw/zinc/42/87/25/841428725.db2.gz LVTHHCDBTGIVNO-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781551 841428728 /nfs/dbraw/zinc/42/87/28/841428728.db2.gz LVTHHCDBTGIVNO-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851327 841500381 /nfs/dbraw/zinc/50/03/81/841500381.db2.gz ZNYRHGQDBSDUNY-SJORKVTESA-N 2 1 351.495 0.656 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083888001 841536240 /nfs/dbraw/zinc/53/62/40/841536240.db2.gz VVLMMUDJHNPULT-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083888001 841536249 /nfs/dbraw/zinc/53/62/49/841536249.db2.gz VVLMMUDJHNPULT-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959151 841603819 /nfs/dbraw/zinc/60/38/19/841603819.db2.gz IYENYNUJRBPQRR-UPJWGTAASA-N 2 1 362.301 0.827 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959151 841603823 /nfs/dbraw/zinc/60/38/23/841603823.db2.gz IYENYNUJRBPQRR-UPJWGTAASA-N 2 1 362.301 0.827 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078651 841689465 /nfs/dbraw/zinc/68/94/65/841689465.db2.gz BWSGFWRRQJLZQN-SQNIBIBYSA-N 2 1 351.491 0.759 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078651 841689474 /nfs/dbraw/zinc/68/94/74/841689474.db2.gz BWSGFWRRQJLZQN-SQNIBIBYSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078651 841689481 /nfs/dbraw/zinc/68/94/81/841689481.db2.gz BWSGFWRRQJLZQN-SQNIBIBYSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078651 841689494 /nfs/dbraw/zinc/68/94/94/841689494.db2.gz BWSGFWRRQJLZQN-SQNIBIBYSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2O)o1 ZINC001084110120 841712272 /nfs/dbraw/zinc/71/22/72/841712272.db2.gz HVVVNXOZUXLOEG-BMFZPTHFSA-N 2 1 353.463 0.931 20 0 FCADMP C[NH+](C)CC1(C[N@@H+]2CC[C@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862472 861230996 /nfs/dbraw/zinc/23/09/96/861230996.db2.gz HZFVVXVDLCMLQU-IBGZPJMESA-N 2 1 351.491 0.811 20 0 FCADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862472 861231019 /nfs/dbraw/zinc/23/10/19/861231019.db2.gz HZFVVXVDLCMLQU-IBGZPJMESA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403569 841788106 /nfs/dbraw/zinc/78/81/06/841788106.db2.gz ZOGWKFXJORMRBI-BRWVUGGUSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403569 841788111 /nfs/dbraw/zinc/78/81/11/841788111.db2.gz ZOGWKFXJORMRBI-BRWVUGGUSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403569 841788117 /nfs/dbraw/zinc/78/81/17/841788117.db2.gz ZOGWKFXJORMRBI-BRWVUGGUSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403569 841788121 /nfs/dbraw/zinc/78/81/21/841788121.db2.gz ZOGWKFXJORMRBI-BRWVUGGUSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001084429267 841793740 /nfs/dbraw/zinc/79/37/40/841793740.db2.gz WEOPQZBIUHUSLL-OAGGEKHMSA-N 2 1 351.495 0.131 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001084429267 841793742 /nfs/dbraw/zinc/79/37/42/841793742.db2.gz WEOPQZBIUHUSLL-OAGGEKHMSA-N 2 1 351.495 0.131 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084638661 841871284 /nfs/dbraw/zinc/87/12/84/841871284.db2.gz MFTLGLGUJCBBGV-JFIYKMOQSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084638661 841871295 /nfs/dbraw/zinc/87/12/95/841871295.db2.gz MFTLGLGUJCBBGV-JFIYKMOQSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@H](NC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2)C(N)=O ZINC001275881277 861246854 /nfs/dbraw/zinc/24/68/54/861246854.db2.gz YRBTUSCSYVIOBR-XHSDSOJGSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CCc3ccns3)C[C@H]21 ZINC001084722571 841899774 /nfs/dbraw/zinc/89/97/74/841899774.db2.gz VHBLNMZKQQNPTE-NVXWUHKLSA-N 2 1 364.515 0.941 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CCc3ccns3)C[C@H]21 ZINC001084722571 841899788 /nfs/dbraw/zinc/89/97/88/841899788.db2.gz VHBLNMZKQQNPTE-NVXWUHKLSA-N 2 1 364.515 0.941 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085033091 841994585 /nfs/dbraw/zinc/99/45/85/841994585.db2.gz QBEKAINHEBIFIJ-GLJUWKHASA-N 2 1 354.470 0.607 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)C1 ZINC001085033091 841994592 /nfs/dbraw/zinc/99/45/92/841994592.db2.gz QBEKAINHEBIFIJ-GLJUWKHASA-N 2 1 354.470 0.607 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085033091 841994598 /nfs/dbraw/zinc/99/45/98/841994598.db2.gz QBEKAINHEBIFIJ-GLJUWKHASA-N 2 1 354.470 0.607 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001085033091 841994605 /nfs/dbraw/zinc/99/46/05/841994605.db2.gz QBEKAINHEBIFIJ-GLJUWKHASA-N 2 1 354.470 0.607 20 0 FCADMP COCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086090744 842119572 /nfs/dbraw/zinc/11/95/72/842119572.db2.gz OWUOQXPNIRETQQ-YIYPIFLZSA-N 2 1 351.451 0.541 20 0 FCADMP COCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086090744 842119576 /nfs/dbraw/zinc/11/95/76/842119576.db2.gz OWUOQXPNIRETQQ-YIYPIFLZSA-N 2 1 351.451 0.541 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC001086665626 842147291 /nfs/dbraw/zinc/14/72/91/842147291.db2.gz JSLYIGNYNYNAST-GUTXKFCHSA-N 2 1 352.435 0.388 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001086665626 842147294 /nfs/dbraw/zinc/14/72/94/842147294.db2.gz JSLYIGNYNYNAST-GUTXKFCHSA-N 2 1 352.435 0.388 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1)C(N)=O ZINC001086739661 842163236 /nfs/dbraw/zinc/16/32/36/842163236.db2.gz LLKKQWNNOWHPGH-SCRDCRAPSA-N 2 1 351.451 0.488 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086882665 842191136 /nfs/dbraw/zinc/19/11/36/842191136.db2.gz DZPGCKPYNPCECD-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924512 842192845 /nfs/dbraw/zinc/19/28/45/842192845.db2.gz URHIWMUHBGWKCD-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087034589 842230619 /nfs/dbraw/zinc/23/06/19/842230619.db2.gz MRABHRHGJZXMKO-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087055617 842251736 /nfs/dbraw/zinc/25/17/36/842251736.db2.gz XHXYMQAAVLOROQ-RRCSTGOVSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087055617 842251749 /nfs/dbraw/zinc/25/17/49/842251749.db2.gz XHXYMQAAVLOROQ-RRCSTGOVSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087084653 842277961 /nfs/dbraw/zinc/27/79/61/842277961.db2.gz MRXLIYYXAWEYRJ-VHDGCEQUSA-N 2 1 355.508 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087096193 842285656 /nfs/dbraw/zinc/28/56/56/842285656.db2.gz BPLFCZFWOCRSFR-SQWLQELKSA-N 2 1 351.451 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087101121 842288654 /nfs/dbraw/zinc/28/86/54/842288654.db2.gz USQHBRCSVGSRPJ-DJIMGWMZSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087100945 842289749 /nfs/dbraw/zinc/28/97/49/842289749.db2.gz MDYWBTDUMVHAGT-RBSFLKMASA-N 2 1 350.467 0.018 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087101009 842289990 /nfs/dbraw/zinc/28/99/90/842289990.db2.gz PBCADUSCCIAOLF-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCN1CCNC1=O ZINC001087578477 842362307 /nfs/dbraw/zinc/36/23/07/842362307.db2.gz XVOHFFOUKWYMKH-LVQVYYBASA-N 2 1 351.495 0.321 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCN1CCNC1=O ZINC001087578477 842362317 /nfs/dbraw/zinc/36/23/17/842362317.db2.gz XVOHFFOUKWYMKH-LVQVYYBASA-N 2 1 351.495 0.321 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCN1CCNC1=O ZINC001087578477 842362331 /nfs/dbraw/zinc/36/23/31/842362331.db2.gz XVOHFFOUKWYMKH-LVQVYYBASA-N 2 1 351.495 0.321 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087726884 842416160 /nfs/dbraw/zinc/41/61/60/842416160.db2.gz WAIKSIFUEILBMV-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087726884 842416167 /nfs/dbraw/zinc/41/61/67/842416167.db2.gz WAIKSIFUEILBMV-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087726884 842416174 /nfs/dbraw/zinc/41/61/74/842416174.db2.gz WAIKSIFUEILBMV-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087726884 842416178 /nfs/dbraw/zinc/41/61/78/842416178.db2.gz WAIKSIFUEILBMV-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087796817 842434034 /nfs/dbraw/zinc/43/40/34/842434034.db2.gz NRRRBJFFMOCWDK-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087796817 842434040 /nfs/dbraw/zinc/43/40/40/842434040.db2.gz NRRRBJFFMOCWDK-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087796817 842434043 /nfs/dbraw/zinc/43/40/43/842434043.db2.gz NRRRBJFFMOCWDK-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920651 842471993 /nfs/dbraw/zinc/47/19/93/842471993.db2.gz WTQNWSUYBYFCFQ-VYDXJSESSA-N 2 1 364.515 0.797 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920651 842471995 /nfs/dbraw/zinc/47/19/95/842471995.db2.gz WTQNWSUYBYFCFQ-VYDXJSESSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920651 842471998 /nfs/dbraw/zinc/47/19/98/842471998.db2.gz WTQNWSUYBYFCFQ-VYDXJSESSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920651 842471999 /nfs/dbraw/zinc/47/19/99/842471999.db2.gz WTQNWSUYBYFCFQ-VYDXJSESSA-N 2 1 364.515 0.797 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095349 842529215 /nfs/dbraw/zinc/52/92/15/842529215.db2.gz JDYBQUWGJFAPSG-SOLBZPMBSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105966 842532628 /nfs/dbraw/zinc/53/26/28/842532628.db2.gz JOJHWVVBHZSDJZ-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105966 842532639 /nfs/dbraw/zinc/53/26/39/842532639.db2.gz JOJHWVVBHZSDJZ-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105966 842532647 /nfs/dbraw/zinc/53/26/47/842532647.db2.gz JOJHWVVBHZSDJZ-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105966 842532651 /nfs/dbraw/zinc/53/26/51/842532651.db2.gz JOJHWVVBHZSDJZ-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150762 842544977 /nfs/dbraw/zinc/54/49/77/842544977.db2.gz UNAYFMXAPNKLHR-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088201284 842557852 /nfs/dbraw/zinc/55/78/52/842557852.db2.gz UQHBOMVGHQYHAH-ZACQAIPSSA-N 2 1 369.531 0.297 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211728 842562594 /nfs/dbraw/zinc/56/25/94/842562594.db2.gz WUGGQDGETZUZNW-SJORKVTESA-N 2 1 371.547 0.687 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211728 842562599 /nfs/dbraw/zinc/56/25/99/842562599.db2.gz WUGGQDGETZUZNW-SJORKVTESA-N 2 1 371.547 0.687 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088579342 842617433 /nfs/dbraw/zinc/61/74/33/842617433.db2.gz BJIPSWGXETUSBA-FXUDXRNXSA-N 2 1 351.495 0.321 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579342 842617438 /nfs/dbraw/zinc/61/74/38/842617438.db2.gz BJIPSWGXETUSBA-FXUDXRNXSA-N 2 1 351.495 0.321 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579342 842617443 /nfs/dbraw/zinc/61/74/43/842617443.db2.gz BJIPSWGXETUSBA-FXUDXRNXSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCN1CCNC1=O ZINC001088899330 842709364 /nfs/dbraw/zinc/70/93/64/842709364.db2.gz YSYFYUYTRRRAHE-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088983652 842735837 /nfs/dbraw/zinc/73/58/37/842735837.db2.gz IDJMCLNJQXHLEF-ILXRZTDVSA-N 2 1 355.504 0.096 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088983652 842735848 /nfs/dbraw/zinc/73/58/48/842735848.db2.gz IDJMCLNJQXHLEF-ILXRZTDVSA-N 2 1 355.504 0.096 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCCCC1 ZINC001089037344 842750270 /nfs/dbraw/zinc/75/02/70/842750270.db2.gz AZSMVSQVEUGHMD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCCCC1 ZINC001089037344 842750274 /nfs/dbraw/zinc/75/02/74/842750274.db2.gz AZSMVSQVEUGHMD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCCCC1 ZINC001089037344 842750281 /nfs/dbraw/zinc/75/02/81/842750281.db2.gz AZSMVSQVEUGHMD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCCCC1 ZINC001089037344 842750287 /nfs/dbraw/zinc/75/02/87/842750287.db2.gz AZSMVSQVEUGHMD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCCCC1 ZINC001089037343 842750447 /nfs/dbraw/zinc/75/04/47/842750447.db2.gz AZSMVSQVEUGHMD-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCCCC1 ZINC001089037343 842750450 /nfs/dbraw/zinc/75/04/50/842750450.db2.gz AZSMVSQVEUGHMD-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCCCC1 ZINC001089037343 842750455 /nfs/dbraw/zinc/75/04/55/842750455.db2.gz AZSMVSQVEUGHMD-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCCCC1 ZINC001089037343 842750458 /nfs/dbraw/zinc/75/04/58/842750458.db2.gz AZSMVSQVEUGHMD-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CCO)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941351 842776179 /nfs/dbraw/zinc/77/61/79/842776179.db2.gz HEIDYHCTCGQIOY-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941351 842776184 /nfs/dbraw/zinc/77/61/84/842776184.db2.gz HEIDYHCTCGQIOY-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941351 842776189 /nfs/dbraw/zinc/77/61/89/842776189.db2.gz HEIDYHCTCGQIOY-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213941 861356998 /nfs/dbraw/zinc/35/69/98/861356998.db2.gz CLPAQMAQTKMFOM-AWEZNQCLSA-N 2 1 352.479 0.702 20 0 FCADMP C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213941 861357018 /nfs/dbraw/zinc/35/70/18/861357018.db2.gz CLPAQMAQTKMFOM-AWEZNQCLSA-N 2 1 352.479 0.702 20 0 FCADMP C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213941 861357037 /nfs/dbraw/zinc/35/70/37/861357037.db2.gz CLPAQMAQTKMFOM-AWEZNQCLSA-N 2 1 352.479 0.702 20 0 FCADMP C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213941 861357056 /nfs/dbraw/zinc/35/70/56/861357056.db2.gz CLPAQMAQTKMFOM-AWEZNQCLSA-N 2 1 352.479 0.702 20 0 FCADMP Cc1nnsc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091097305 842960242 /nfs/dbraw/zinc/96/02/42/842960242.db2.gz OICZIWKBEIGKMM-WKIYYKSKSA-N 2 1 353.492 0.550 20 0 FCADMP Cc1nnsc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091097305 842960248 /nfs/dbraw/zinc/96/02/48/842960248.db2.gz OICZIWKBEIGKMM-WKIYYKSKSA-N 2 1 353.492 0.550 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910170 843122776 /nfs/dbraw/zinc/12/27/76/843122776.db2.gz KPXRIJZLAUYFLG-VCBZYWHSSA-N 2 1 350.507 0.905 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944279 843127080 /nfs/dbraw/zinc/12/70/80/843127080.db2.gz YCOHKFZLXBHWOS-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944279 843127085 /nfs/dbraw/zinc/12/70/85/843127085.db2.gz YCOHKFZLXBHWOS-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944279 843127089 /nfs/dbraw/zinc/12/70/89/843127089.db2.gz YCOHKFZLXBHWOS-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015125 843141420 /nfs/dbraw/zinc/14/14/20/843141420.db2.gz JTCBHUFKKVAWOR-KHYOSLBOSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015125 843141424 /nfs/dbraw/zinc/14/14/24/843141424.db2.gz JTCBHUFKKVAWOR-KHYOSLBOSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015125 843141429 /nfs/dbraw/zinc/14/14/29/843141429.db2.gz JTCBHUFKKVAWOR-KHYOSLBOSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001092071290 843153664 /nfs/dbraw/zinc/15/36/64/843153664.db2.gz PGPDGFVELTXSDV-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001092071290 843153669 /nfs/dbraw/zinc/15/36/69/843153669.db2.gz PGPDGFVELTXSDV-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190077 843169393 /nfs/dbraw/zinc/16/93/93/843169393.db2.gz MPSKHWRMQMLEAF-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190077 843169396 /nfs/dbraw/zinc/16/93/96/843169396.db2.gz MPSKHWRMQMLEAF-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190077 843169400 /nfs/dbraw/zinc/16/94/00/843169400.db2.gz MPSKHWRMQMLEAF-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092508055 843224266 /nfs/dbraw/zinc/22/42/66/843224266.db2.gz RNOYIFZAICWWSK-BMFZPTHFSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092508055 843224273 /nfs/dbraw/zinc/22/42/73/843224273.db2.gz RNOYIFZAICWWSK-BMFZPTHFSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092508055 843224279 /nfs/dbraw/zinc/22/42/79/843224279.db2.gz RNOYIFZAICWWSK-BMFZPTHFSA-N 2 1 366.531 0.997 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040777 843370642 /nfs/dbraw/zinc/37/06/42/843370642.db2.gz UIYUDUXGLKUSBJ-OWCLPIDISA-N 2 1 351.495 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133474 843398036 /nfs/dbraw/zinc/39/80/36/843398036.db2.gz HGWWKNXNSNNCCF-BZUAXINKSA-N 2 1 369.531 0.201 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209232 843408093 /nfs/dbraw/zinc/40/80/93/843408093.db2.gz YVORPWZGTHNPFY-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209232 843408100 /nfs/dbraw/zinc/40/81/00/843408100.db2.gz YVORPWZGTHNPFY-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209232 843408108 /nfs/dbraw/zinc/40/81/08/843408108.db2.gz YVORPWZGTHNPFY-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209232 843408116 /nfs/dbraw/zinc/40/81/16/843408116.db2.gz YVORPWZGTHNPFY-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225545 843412923 /nfs/dbraw/zinc/41/29/23/843412923.db2.gz MYLAVEJPNNUDFY-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225545 843412929 /nfs/dbraw/zinc/41/29/29/843412929.db2.gz MYLAVEJPNNUDFY-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225545 843412936 /nfs/dbraw/zinc/41/29/36/843412936.db2.gz MYLAVEJPNNUDFY-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451298 843435314 /nfs/dbraw/zinc/43/53/14/843435314.db2.gz SNJDBZAYLIXDJI-ZAWLATJESA-N 2 1 353.507 0.429 20 0 FCADMP CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093470605 843440267 /nfs/dbraw/zinc/44/02/67/843440267.db2.gz XHLGTCXQCFCWCB-ZAWLATJESA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093672788 843453809 /nfs/dbraw/zinc/45/38/09/843453809.db2.gz DHOZATZNTZHVNV-RBSFLKMASA-N 2 1 352.458 0.526 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC3COC(C)(C)OC3)C2)OCC1=O ZINC001276345444 861420251 /nfs/dbraw/zinc/42/02/51/861420251.db2.gz BNTRMXHRXQWZKS-GOSISDBHSA-N 2 1 355.479 0.250 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093825627 843475673 /nfs/dbraw/zinc/47/56/73/843475673.db2.gz MXNVLPOSBYQWEO-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001093992279 843501703 /nfs/dbraw/zinc/50/17/03/843501703.db2.gz MYJCHLSPNYFQRJ-FMKPAKJESA-N 2 1 367.519 0.831 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001093992279 843501712 /nfs/dbraw/zinc/50/17/12/843501712.db2.gz MYJCHLSPNYFQRJ-FMKPAKJESA-N 2 1 367.519 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094219870 843532087 /nfs/dbraw/zinc/53/20/87/843532087.db2.gz VAUXAQYYCJGKNC-MGPQQGTHSA-N 2 1 350.467 0.271 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)C1 ZINC001094232369 843537886 /nfs/dbraw/zinc/53/78/86/843537886.db2.gz UOEXZRNBLGFAOS-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)C1 ZINC001094232369 843537895 /nfs/dbraw/zinc/53/78/95/843537895.db2.gz UOEXZRNBLGFAOS-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531429 843736221 /nfs/dbraw/zinc/73/62/21/843736221.db2.gz DTCMBLISESLOCF-OWSLCNJRSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001095531429 843736232 /nfs/dbraw/zinc/73/62/32/843736232.db2.gz DTCMBLISESLOCF-OWSLCNJRSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001095531429 843736242 /nfs/dbraw/zinc/73/62/42/843736242.db2.gz DTCMBLISESLOCF-OWSLCNJRSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269339 843788068 /nfs/dbraw/zinc/78/80/68/843788068.db2.gz PVSPCHXZZJIXOA-SIXLDLHFSA-N 2 1 350.507 0.963 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269339 843788076 /nfs/dbraw/zinc/78/80/76/843788076.db2.gz PVSPCHXZZJIXOA-SIXLDLHFSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001098996589 843954151 /nfs/dbraw/zinc/95/41/51/843954151.db2.gz SICRJZGAZLKVPO-OVWQWFNUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001098996589 843954156 /nfs/dbraw/zinc/95/41/56/843954156.db2.gz SICRJZGAZLKVPO-OVWQWFNUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001098996589 843954162 /nfs/dbraw/zinc/95/41/62/843954162.db2.gz SICRJZGAZLKVPO-OVWQWFNUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001098996589 843954167 /nfs/dbraw/zinc/95/41/67/843954167.db2.gz SICRJZGAZLKVPO-OVWQWFNUSA-N 2 1 371.547 0.732 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030868 843957373 /nfs/dbraw/zinc/95/73/73/843957373.db2.gz HDGYPJMJOHBCLW-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030868 843957378 /nfs/dbraw/zinc/95/73/78/843957378.db2.gz HDGYPJMJOHBCLW-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099030868 843957382 /nfs/dbraw/zinc/95/73/82/843957382.db2.gz HDGYPJMJOHBCLW-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063380 843959214 /nfs/dbraw/zinc/95/92/14/843959214.db2.gz ZHLMHFCCITXUSM-LPHOPBHVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062891 843959378 /nfs/dbraw/zinc/95/93/78/843959378.db2.gz LHRRHAFMJBKLMA-BXWFABGCSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262755 843996092 /nfs/dbraw/zinc/99/60/92/843996092.db2.gz JZENTZJWFUAVPX-YUSALJHKSA-N 2 1 350.385 0.323 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262755 843996095 /nfs/dbraw/zinc/99/60/95/843996095.db2.gz JZENTZJWFUAVPX-YUSALJHKSA-N 2 1 350.385 0.323 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780959 844646376 /nfs/dbraw/zinc/64/63/76/844646376.db2.gz WPSQKLJZCUXMPR-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780959 844646381 /nfs/dbraw/zinc/64/63/81/844646381.db2.gz WPSQKLJZCUXMPR-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780959 844646385 /nfs/dbraw/zinc/64/63/85/844646385.db2.gz WPSQKLJZCUXMPR-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782816 844647888 /nfs/dbraw/zinc/64/78/88/844647888.db2.gz QJTYDRDTMHNQGP-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102782816 844647895 /nfs/dbraw/zinc/64/78/95/844647895.db2.gz QJTYDRDTMHNQGP-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102782816 844647898 /nfs/dbraw/zinc/64/78/98/844647898.db2.gz QJTYDRDTMHNQGP-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001102999840 844681959 /nfs/dbraw/zinc/68/19/59/844681959.db2.gz GDVRXSOVZZRMIK-BZUAXINKSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001103435957 844757311 /nfs/dbraw/zinc/75/73/11/844757311.db2.gz FUGAAEQIAQCEOC-LBTNJELSSA-N 2 1 356.486 0.758 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001103435957 844757315 /nfs/dbraw/zinc/75/73/15/844757315.db2.gz FUGAAEQIAQCEOC-LBTNJELSSA-N 2 1 356.486 0.758 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001103435957 844757319 /nfs/dbraw/zinc/75/73/19/844757319.db2.gz FUGAAEQIAQCEOC-LBTNJELSSA-N 2 1 356.486 0.758 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571031 844782995 /nfs/dbraw/zinc/78/29/95/844782995.db2.gz RZKMFUULBXSYHQ-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570909 844783185 /nfs/dbraw/zinc/78/31/85/844783185.db2.gz LHXCLXQTPPSNKT-BRWVUGGUSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584253 844785135 /nfs/dbraw/zinc/78/51/35/844785135.db2.gz JNPOWHQPAIIYRU-QLFBSQMISA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001103999786 844851723 /nfs/dbraw/zinc/85/17/23/844851723.db2.gz LDJASSAWNQIAPZ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001103999823 844852273 /nfs/dbraw/zinc/85/22/73/844852273.db2.gz LVZGRKYEVALCRD-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP Cc1nocc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033922 844856667 /nfs/dbraw/zinc/85/66/67/844856667.db2.gz LQAOYCYFDRNXTP-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033922 844856674 /nfs/dbraw/zinc/85/66/74/844856674.db2.gz LQAOYCYFDRNXTP-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104186331 844872545 /nfs/dbraw/zinc/87/25/45/844872545.db2.gz ZBZGUMOXVUAXJZ-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCCO ZINC001104433507 844910807 /nfs/dbraw/zinc/91/08/07/844910807.db2.gz HMLAHILRAKOMQZ-LDBBTLTOSA-N 2 1 351.491 0.306 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105066679 844977279 /nfs/dbraw/zinc/97/72/79/844977279.db2.gz BHLKGYAKLKNAIH-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105242981 844984003 /nfs/dbraw/zinc/98/40/03/844984003.db2.gz PMOPGSTULQKYNP-CZUORRHYSA-N 2 1 350.467 0.128 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105941565 845062848 /nfs/dbraw/zinc/06/28/48/845062848.db2.gz BWRSNAPGJAZPQK-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941675 845063376 /nfs/dbraw/zinc/06/33/76/845063376.db2.gz HLUDNAFQBPISAL-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105945878 845064690 /nfs/dbraw/zinc/06/46/90/845064690.db2.gz HEGSQYZWSLIWFA-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106211020 845135358 /nfs/dbraw/zinc/13/53/58/845135358.db2.gz NHSAXGDIOIPJSC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106323052 845154063 /nfs/dbraw/zinc/15/40/63/845154063.db2.gz WLYNGRAHRNDCTL-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001106354131 845161204 /nfs/dbraw/zinc/16/12/04/845161204.db2.gz NEZDBNWGAUDVPV-YRGRVCCFSA-N 2 1 351.451 0.298 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)[NH+](CC)CC ZINC001106660110 845216635 /nfs/dbraw/zinc/21/66/35/845216635.db2.gz AXUYRIZEGHAALU-RBSFLKMASA-N 2 1 351.499 0.515 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001106666323 845218303 /nfs/dbraw/zinc/21/83/03/845218303.db2.gz KPCXJBWSCDQRPW-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666253 845219242 /nfs/dbraw/zinc/21/92/42/845219242.db2.gz IBYUPSFNLOPKSH-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666922 845220439 /nfs/dbraw/zinc/22/04/39/845220439.db2.gz ZZUCJEQASJFOOG-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106729450 845235656 /nfs/dbraw/zinc/23/56/56/845235656.db2.gz RDHXJVSFMQTBPC-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106839988 845265636 /nfs/dbraw/zinc/26/56/36/845265636.db2.gz SXWOWOKKQPVDFR-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106840194 845265722 /nfs/dbraw/zinc/26/57/22/845265722.db2.gz CPVNWBAHZXHMPT-CHWSQXEVSA-N 2 1 368.507 0.503 20 0 FCADMP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)no1 ZINC001106878660 845277333 /nfs/dbraw/zinc/27/73/33/845277333.db2.gz VVTOYOJACCHWBA-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1 ZINC001106909768 845284658 /nfs/dbraw/zinc/28/46/58/845284658.db2.gz MAVSPPRMKMERSF-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981155 845298613 /nfs/dbraw/zinc/29/86/13/845298613.db2.gz HJOPBKFPRSVZCE-OWCLPIDISA-N 2 1 353.511 0.330 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042454 845317327 /nfs/dbraw/zinc/31/73/27/845317327.db2.gz NDOAAQOEMZFYSH-HZPDHXFCSA-N 2 1 355.527 0.718 20 0 FCADMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)CCC1 ZINC001107436827 845373033 /nfs/dbraw/zinc/37/30/33/845373033.db2.gz SENWWCFPVTZPEG-SJLPKXTDSA-N 2 1 353.507 0.840 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436575 845373173 /nfs/dbraw/zinc/37/31/73/845373173.db2.gz FBQUDPORTRKOJP-CRAIPNDOSA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444729 845374462 /nfs/dbraw/zinc/37/44/62/845374462.db2.gz YKXCXSZFINIYRC-MJQMVNBJSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC001107530830 845391105 /nfs/dbraw/zinc/39/11/05/845391105.db2.gz OGPBCUAPWBXLRA-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530152 845392491 /nfs/dbraw/zinc/39/24/91/845392491.db2.gz JCTIILISRMYFPO-ZHALLVOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNC(=O)C1CC1)CC2 ZINC001107534008 845392879 /nfs/dbraw/zinc/39/28/79/845392879.db2.gz RXHHARNHEYNEAK-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632084 845411582 /nfs/dbraw/zinc/41/15/82/845411582.db2.gz PTGKJUNRPYZAIX-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632084 845411587 /nfs/dbraw/zinc/41/15/87/845411587.db2.gz PTGKJUNRPYZAIX-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632084 845411594 /nfs/dbraw/zinc/41/15/94/845411594.db2.gz PTGKJUNRPYZAIX-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107646118 845415373 /nfs/dbraw/zinc/41/53/73/845415373.db2.gz CUDLMLNQLNHYPO-SZVBFZGTSA-N 2 1 350.507 0.953 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402073 845645897 /nfs/dbraw/zinc/64/58/97/845645897.db2.gz HJINWWBETARJDN-MUQADHOPSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402073 845645899 /nfs/dbraw/zinc/64/58/99/845645899.db2.gz HJINWWBETARJDN-MUQADHOPSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643379 845704394 /nfs/dbraw/zinc/70/43/94/845704394.db2.gz DGFUKICPAFYYFL-KSWRQPAISA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643379 845704402 /nfs/dbraw/zinc/70/44/02/845704402.db2.gz DGFUKICPAFYYFL-KSWRQPAISA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643379 845704408 /nfs/dbraw/zinc/70/44/08/845704408.db2.gz DGFUKICPAFYYFL-KSWRQPAISA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643379 845704411 /nfs/dbraw/zinc/70/44/11/845704411.db2.gz DGFUKICPAFYYFL-KSWRQPAISA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671328 845711209 /nfs/dbraw/zinc/71/12/09/845711209.db2.gz CIEGYTVBWHRJKB-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671328 845711213 /nfs/dbraw/zinc/71/12/13/845711213.db2.gz CIEGYTVBWHRJKB-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001109866924 845751259 /nfs/dbraw/zinc/75/12/59/845751259.db2.gz PBJXNOCWISNGII-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001109866924 845751262 /nfs/dbraw/zinc/75/12/62/845751262.db2.gz PBJXNOCWISNGII-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001109928330 845761596 /nfs/dbraw/zinc/76/15/96/845761596.db2.gz QUTGCIZWDQCMIA-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001109928330 845761601 /nfs/dbraw/zinc/76/16/01/845761601.db2.gz QUTGCIZWDQCMIA-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001109928330 845761606 /nfs/dbraw/zinc/76/16/06/845761606.db2.gz QUTGCIZWDQCMIA-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001109928330 845761611 /nfs/dbraw/zinc/76/16/11/845761611.db2.gz QUTGCIZWDQCMIA-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110007394 845774434 /nfs/dbraw/zinc/77/44/34/845774434.db2.gz UNOAMGVKUOMWQQ-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110007394 845774436 /nfs/dbraw/zinc/77/44/36/845774436.db2.gz UNOAMGVKUOMWQQ-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115161 845798416 /nfs/dbraw/zinc/79/84/16/845798416.db2.gz QFNMEZBJFCMGQL-BDXSIMOUSA-N 2 1 353.507 0.981 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188658 845817351 /nfs/dbraw/zinc/81/73/51/845817351.db2.gz KXUQBJKOZRLHNN-OWSLCNJRSA-N 2 1 353.507 0.981 20 0 FCADMP COCCCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276795976 861613218 /nfs/dbraw/zinc/61/32/18/861613218.db2.gz SVHJRGOLWBKQQZ-CVEARBPZSA-N 2 1 355.523 0.990 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565784 845920151 /nfs/dbraw/zinc/92/01/51/845920151.db2.gz NHDWUHXTNDHIBR-VQHPVUNQSA-N 2 1 353.507 0.980 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001110616809 845929980 /nfs/dbraw/zinc/92/99/80/845929980.db2.gz RSFBXBFILIMCKG-QXSJWSMHSA-N 2 1 352.458 0.680 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001110847587 845980917 /nfs/dbraw/zinc/98/09/17/845980917.db2.gz XTIKHNQQNQNDCT-BDXSIMOUSA-N 2 1 351.491 0.591 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948735 846001098 /nfs/dbraw/zinc/00/10/98/846001098.db2.gz KKUIVQMCANJAPQ-FPCVCCKLSA-N 2 1 351.447 0.684 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948735 846001103 /nfs/dbraw/zinc/00/11/03/846001103.db2.gz KKUIVQMCANJAPQ-FPCVCCKLSA-N 2 1 351.447 0.684 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110960312 846002481 /nfs/dbraw/zinc/00/24/81/846002481.db2.gz BYUOTJIPSHAGNP-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110960312 846002485 /nfs/dbraw/zinc/00/24/85/846002485.db2.gz BYUOTJIPSHAGNP-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152573 846048999 /nfs/dbraw/zinc/04/89/99/846048999.db2.gz ZKJMMWQECRDOKW-ZACQAIPSSA-N 2 1 355.479 0.093 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152573 846049008 /nfs/dbraw/zinc/04/90/08/846049008.db2.gz ZKJMMWQECRDOKW-ZACQAIPSSA-N 2 1 355.479 0.093 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466067 846117656 /nfs/dbraw/zinc/11/76/56/846117656.db2.gz FRGKNGNTVJPYGC-ZACQAIPSSA-N 2 1 354.495 0.201 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466067 846117664 /nfs/dbraw/zinc/11/76/64/846117664.db2.gz FRGKNGNTVJPYGC-ZACQAIPSSA-N 2 1 354.495 0.201 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466067 846117669 /nfs/dbraw/zinc/11/76/69/846117669.db2.gz FRGKNGNTVJPYGC-ZACQAIPSSA-N 2 1 354.495 0.201 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753253 846191484 /nfs/dbraw/zinc/19/14/84/846191484.db2.gz MSMKMLWMWOZBQH-OLMMMNRUSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753253 846191491 /nfs/dbraw/zinc/19/14/91/846191491.db2.gz MSMKMLWMWOZBQH-OLMMMNRUSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753253 846191494 /nfs/dbraw/zinc/19/14/94/846191494.db2.gz MSMKMLWMWOZBQH-OLMMMNRUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2)[NH+](C)C ZINC001111788887 846206035 /nfs/dbraw/zinc/20/60/35/846206035.db2.gz NQLVSXCXMYLWDY-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001111854352 846231213 /nfs/dbraw/zinc/23/12/13/846231213.db2.gz OQEXFKOAEGVDMB-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111871010 846239895 /nfs/dbraw/zinc/23/98/95/846239895.db2.gz WLJYKZXUDNNTCN-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111871010 846239898 /nfs/dbraw/zinc/23/98/98/846239898.db2.gz WLJYKZXUDNNTCN-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111871010 846239908 /nfs/dbraw/zinc/23/99/08/846239908.db2.gz WLJYKZXUDNNTCN-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111937929 846268694 /nfs/dbraw/zinc/26/86/94/846268694.db2.gz CIHDFCMBTSJYSQ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111937929 846268704 /nfs/dbraw/zinc/26/87/04/846268704.db2.gz CIHDFCMBTSJYSQ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111937929 846268716 /nfs/dbraw/zinc/26/87/16/846268716.db2.gz CIHDFCMBTSJYSQ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939532 846270339 /nfs/dbraw/zinc/27/03/39/846270339.db2.gz FROPNHNDGHEWTR-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111939532 846270346 /nfs/dbraw/zinc/27/03/46/846270346.db2.gz FROPNHNDGHEWTR-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111939532 846270357 /nfs/dbraw/zinc/27/03/57/846270357.db2.gz FROPNHNDGHEWTR-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCCC1)C2 ZINC001111949507 846271409 /nfs/dbraw/zinc/27/14/09/846271409.db2.gz INGFKPBCDKMQHZ-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001111949507 846271420 /nfs/dbraw/zinc/27/14/20/846271420.db2.gz INGFKPBCDKMQHZ-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111949507 846271434 /nfs/dbraw/zinc/27/14/34/846271434.db2.gz INGFKPBCDKMQHZ-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111949823 846271540 /nfs/dbraw/zinc/27/15/40/846271540.db2.gz VNNYSUQEKJPZTR-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111949823 846271557 /nfs/dbraw/zinc/27/15/57/846271557.db2.gz VNNYSUQEKJPZTR-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111949823 846271562 /nfs/dbraw/zinc/27/15/62/846271562.db2.gz VNNYSUQEKJPZTR-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983339 846279298 /nfs/dbraw/zinc/27/92/98/846279298.db2.gz IQAKLSUPGDXATQ-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983339 846279313 /nfs/dbraw/zinc/27/93/13/846279313.db2.gz IQAKLSUPGDXATQ-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983339 846279323 /nfs/dbraw/zinc/27/93/23/846279323.db2.gz IQAKLSUPGDXATQ-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983339 846279336 /nfs/dbraw/zinc/27/93/36/846279336.db2.gz IQAKLSUPGDXATQ-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983338 846279371 /nfs/dbraw/zinc/27/93/71/846279371.db2.gz IQAKLSUPGDXATQ-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983338 846279375 /nfs/dbraw/zinc/27/93/75/846279375.db2.gz IQAKLSUPGDXATQ-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983338 846279389 /nfs/dbraw/zinc/27/93/89/846279389.db2.gz IQAKLSUPGDXATQ-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983338 846279400 /nfs/dbraw/zinc/27/94/00/846279400.db2.gz IQAKLSUPGDXATQ-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070998 846348130 /nfs/dbraw/zinc/34/81/30/846348130.db2.gz NJDPFGQQGMJBDZ-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070998 846348138 /nfs/dbraw/zinc/34/81/38/846348138.db2.gz NJDPFGQQGMJBDZ-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP CCOC(=O)CCC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276887878 861670239 /nfs/dbraw/zinc/67/02/39/861670239.db2.gz IOYVSTSBOACWGM-SFHVURJKSA-N 2 1 353.463 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001112103420 846383315 /nfs/dbraw/zinc/38/33/15/846383315.db2.gz FKFDMQSOPCPYNY-AAVRWANBSA-N 2 1 367.412 0.314 20 0 FCADMP CCOC(=O)CCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276888350 861672193 /nfs/dbraw/zinc/67/21/93/861672193.db2.gz ABPJQMRJCAAQAU-SFHVURJKSA-N 2 1 355.479 0.585 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112181990 846442063 /nfs/dbraw/zinc/44/20/63/846442063.db2.gz HZHSCANJEHGFPT-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189957 846449496 /nfs/dbraw/zinc/44/94/96/846449496.db2.gz FLBYVBLYKKVBJP-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189957 846449502 /nfs/dbraw/zinc/44/95/02/846449502.db2.gz FLBYVBLYKKVBJP-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112190403 846450296 /nfs/dbraw/zinc/45/02/96/846450296.db2.gz ZLMZGMMFBQWWQA-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112190403 846450301 /nfs/dbraw/zinc/45/03/01/846450301.db2.gz ZLMZGMMFBQWWQA-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112190342 846450461 /nfs/dbraw/zinc/45/04/61/846450461.db2.gz WYPDDXHIXHGTDX-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001112198132 846456788 /nfs/dbraw/zinc/45/67/88/846456788.db2.gz CJASVIBUDSYTNC-GRYCIOLGSA-N 2 1 352.401 0.571 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001112198347 846457052 /nfs/dbraw/zinc/45/70/52/846457052.db2.gz PKXAIVGZZJZGGH-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001112198347 846457054 /nfs/dbraw/zinc/45/70/54/846457054.db2.gz PKXAIVGZZJZGGH-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112205794 846461332 /nfs/dbraw/zinc/46/13/32/846461332.db2.gz AWDXCLQITPUVFG-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206576 846462904 /nfs/dbraw/zinc/46/29/04/846462904.db2.gz VFMRHJOKSVVKKE-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112438894 846504713 /nfs/dbraw/zinc/50/47/13/846504713.db2.gz JWZYCVSVXXEAGP-KHYOSLBOSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112529612 846515892 /nfs/dbraw/zinc/51/58/92/846515892.db2.gz HUWMLFAKIBJIIX-LNLFQRSKSA-N 2 1 353.507 0.698 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112563709 846525243 /nfs/dbraw/zinc/52/52/43/846525243.db2.gz JZSQMSLUQQLGEO-RYRKJORJSA-N 2 1 371.547 0.591 20 0 FCADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCCCNC1=O)[C@H]1CCCCNC1=O ZINC001116414608 846676585 /nfs/dbraw/zinc/67/65/85/846676585.db2.gz QMHDQBNNLDUKDA-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCCCNC1=O)[C@@H]1CCCCNC1=O ZINC001116414608 846676588 /nfs/dbraw/zinc/67/65/88/846676588.db2.gz QMHDQBNNLDUKDA-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+](CCOCC[N@@H+](C)[C@H]1CCCCNC1=O)[C@@H]1CCCCNC1=O ZINC001116414608 846676591 /nfs/dbraw/zinc/67/65/91/846676591.db2.gz QMHDQBNNLDUKDA-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276960008 861707146 /nfs/dbraw/zinc/70/71/46/861707146.db2.gz NDHJBCLKEQFJAR-IRXDYDNUSA-N 2 1 352.523 0.223 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116952411 846817577 /nfs/dbraw/zinc/81/75/77/846817577.db2.gz GQPQVHLDOLONJN-YVSFHVDLSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001117122033 846898882 /nfs/dbraw/zinc/89/88/82/846898882.db2.gz FNRADXBEGDAOKX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117122033 846898889 /nfs/dbraw/zinc/89/88/89/846898889.db2.gz FNRADXBEGDAOKX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001117122033 846898895 /nfs/dbraw/zinc/89/88/95/846898895.db2.gz FNRADXBEGDAOKX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001117356477 846977906 /nfs/dbraw/zinc/97/79/06/846977906.db2.gz LUNJJIXDXJXDCB-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CN(C)C(=O)O3)CC2)CC1 ZINC001117704973 847150561 /nfs/dbraw/zinc/15/05/61/847150561.db2.gz MDVYBHHTJBITJO-INIZCTEOSA-N 2 1 352.479 0.703 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001119467801 847853037 /nfs/dbraw/zinc/85/30/37/847853037.db2.gz CRIJBHMRXOROTF-CRAIPNDOSA-N 2 1 351.495 0.561 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119481895 847857936 /nfs/dbraw/zinc/85/79/36/847857936.db2.gz ANTHDSHZLSPMFR-BBWFWOEESA-N 2 1 353.511 0.162 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cn1 ZINC001119764980 847968320 /nfs/dbraw/zinc/96/83/20/847968320.db2.gz DJKSHHAGNAALOO-HZPDHXFCSA-N 2 1 350.467 0.508 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC001120474879 848214643 /nfs/dbraw/zinc/21/46/43/848214643.db2.gz NINFMTXOGCNVLO-JHJVBQTASA-N 2 1 352.401 0.874 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@H](C)C1 ZINC001120604767 848252017 /nfs/dbraw/zinc/25/20/17/848252017.db2.gz PMFLBYAIMYTTSH-AEFFLSMTSA-N 2 1 355.523 0.944 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@H](C)C1 ZINC001120604767 848252024 /nfs/dbraw/zinc/25/20/24/848252024.db2.gz PMFLBYAIMYTTSH-AEFFLSMTSA-N 2 1 355.523 0.944 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2C)CC1=O ZINC001120810735 848287485 /nfs/dbraw/zinc/28/74/85/848287485.db2.gz VHTZKZCQISNBDR-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC001120810735 848287493 /nfs/dbraw/zinc/28/74/93/848287493.db2.gz VHTZKZCQISNBDR-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC001120810735 848287509 /nfs/dbraw/zinc/28/75/09/848287509.db2.gz VHTZKZCQISNBDR-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001121133787 848321961 /nfs/dbraw/zinc/32/19/61/848321961.db2.gz HJNKRBBXIGETRE-ZHIXCNEBSA-N 2 1 371.547 0.778 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001122005365 848432668 /nfs/dbraw/zinc/43/26/68/848432668.db2.gz YVORVUCZAIEXHR-ZIFCJYIRSA-N 2 1 350.507 0.431 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564652 848606629 /nfs/dbraw/zinc/60/66/29/848606629.db2.gz ORQVESCJPNOKBL-SJORKVTESA-N 2 1 350.507 0.526 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)CC[N@H+]1C ZINC001127695480 848732775 /nfs/dbraw/zinc/73/27/75/848732775.db2.gz NPAAZXXOTZCROP-UONOGXRCSA-N 2 1 363.487 0.692 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049213 848799624 /nfs/dbraw/zinc/79/96/24/848799624.db2.gz RVJRVEFVLIKJBF-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263062 848823573 /nfs/dbraw/zinc/82/35/73/848823573.db2.gz ZRDMXJRDENAJOD-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263062 848823584 /nfs/dbraw/zinc/82/35/84/848823584.db2.gz ZRDMXJRDENAJOD-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263062 848823588 /nfs/dbraw/zinc/82/35/88/848823588.db2.gz ZRDMXJRDENAJOD-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129337842 848832285 /nfs/dbraw/zinc/83/22/85/848832285.db2.gz ZSPMTOAZBGFAEQ-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686106 848881317 /nfs/dbraw/zinc/88/13/17/848881317.db2.gz XEIKIOMHFNFECB-OAGGEKHMSA-N 2 1 350.467 0.139 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910263 848913348 /nfs/dbraw/zinc/91/33/48/848913348.db2.gz LFHKDQJXAHBQCP-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129919214 848916039 /nfs/dbraw/zinc/91/60/39/848916039.db2.gz QLNNGDCTAQYYBW-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C/C(Cl)=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129991867 848926695 /nfs/dbraw/zinc/92/66/95/848926695.db2.gz ABZRTRPABVTIJP-MENMGGHXSA-N 2 1 361.277 0.890 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136943 848950224 /nfs/dbraw/zinc/95/02/24/848950224.db2.gz AGTCNLODNKQMQC-OAGGEKHMSA-N 2 1 352.483 0.121 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137430 848951483 /nfs/dbraw/zinc/95/14/83/848951483.db2.gz YZUXIXMLDRMYQK-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)cc2)O1 ZINC001130180341 848959214 /nfs/dbraw/zinc/95/92/14/848959214.db2.gz NNJZDUZIXHGVNU-IUODEOHRSA-N 2 1 352.410 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)cc2)O1 ZINC001130180341 848959223 /nfs/dbraw/zinc/95/92/23/848959223.db2.gz NNJZDUZIXHGVNU-IUODEOHRSA-N 2 1 352.410 0.189 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)O1 ZINC001130182662 848961460 /nfs/dbraw/zinc/96/14/60/848961460.db2.gz RPZDGHSKXLLAEG-XOKHGSTOSA-N 2 1 353.438 0.154 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)O1 ZINC001130182662 848961464 /nfs/dbraw/zinc/96/14/64/848961464.db2.gz RPZDGHSKXLLAEG-XOKHGSTOSA-N 2 1 353.438 0.154 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(C(F)(F)F)nn2C)O1 ZINC001130182636 848961952 /nfs/dbraw/zinc/96/19/52/848961952.db2.gz QJAQJMFLAXIMTA-ZYHUDNBSSA-N 2 1 363.384 0.364 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(C(F)(F)F)nn2C)O1 ZINC001130182636 848961958 /nfs/dbraw/zinc/96/19/58/848961958.db2.gz QJAQJMFLAXIMTA-ZYHUDNBSSA-N 2 1 363.384 0.364 20 0 FCADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130235191 848983269 /nfs/dbraw/zinc/98/32/69/848983269.db2.gz XLGSMAYBQDPTAI-MEJFOKSDSA-N 2 1 370.885 0.587 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130235191 848983272 /nfs/dbraw/zinc/98/32/72/848983272.db2.gz XLGSMAYBQDPTAI-MEJFOKSDSA-N 2 1 370.885 0.587 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC[NH+](C)C)n1 ZINC001130246056 848985922 /nfs/dbraw/zinc/98/59/22/848985922.db2.gz CEJNIJGFEOIDFW-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC[NH+](C)C)n[nH]1 ZINC001130246056 848985932 /nfs/dbraw/zinc/98/59/32/848985932.db2.gz CEJNIJGFEOIDFW-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817196 849047904 /nfs/dbraw/zinc/04/79/04/849047904.db2.gz FHVCUQBJHVOXHJ-HZSPNIEDSA-N 2 1 350.467 0.592 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817196 849047910 /nfs/dbraw/zinc/04/79/10/849047910.db2.gz FHVCUQBJHVOXHJ-HZSPNIEDSA-N 2 1 350.467 0.592 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817196 849047919 /nfs/dbraw/zinc/04/79/19/849047919.db2.gz FHVCUQBJHVOXHJ-HZSPNIEDSA-N 2 1 350.467 0.592 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131101352 849079903 /nfs/dbraw/zinc/07/99/03/849079903.db2.gz XBHDHBQLPFTOGO-HZPDHXFCSA-N 2 1 351.495 0.682 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131316103 849094921 /nfs/dbraw/zinc/09/49/21/849094921.db2.gz BKTCOQUYQBBIHD-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316351 849095664 /nfs/dbraw/zinc/09/56/64/849095664.db2.gz FZGXHTXBZCQIBJ-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131316351 849095671 /nfs/dbraw/zinc/09/56/71/849095671.db2.gz FZGXHTXBZCQIBJ-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131316351 849095677 /nfs/dbraw/zinc/09/56/77/849095677.db2.gz FZGXHTXBZCQIBJ-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCC)C[C@H]32)C1 ZINC001131316738 849096752 /nfs/dbraw/zinc/09/67/52/849096752.db2.gz UDLNGVSSPUEACM-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCC)C[C@H]32)C1 ZINC001131316738 849096757 /nfs/dbraw/zinc/09/67/57/849096757.db2.gz UDLNGVSSPUEACM-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCC)C[C@H]32)C1 ZINC001131316738 849096759 /nfs/dbraw/zinc/09/67/59/849096759.db2.gz UDLNGVSSPUEACM-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP Cc1nnc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)s1 ZINC001277657607 861982863 /nfs/dbraw/zinc/98/28/63/861982863.db2.gz LVOPYFUJXJSYGR-INIZCTEOSA-N 2 1 351.476 0.749 20 0 FCADMP Cc1nnc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)s1 ZINC001277657607 861982872 /nfs/dbraw/zinc/98/28/72/861982872.db2.gz LVOPYFUJXJSYGR-INIZCTEOSA-N 2 1 351.476 0.749 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001142590481 849453713 /nfs/dbraw/zinc/45/37/13/849453713.db2.gz AVELTESFQPWMQO-UHFFFAOYSA-N 2 1 354.476 0.273 20 0 FCADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C1CCCC1 ZINC001154888756 849818878 /nfs/dbraw/zinc/81/88/78/849818878.db2.gz GMRPOCJXUNAOOO-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001155233025 849840608 /nfs/dbraw/zinc/84/06/08/849840608.db2.gz VWWXSXWZJWYMIZ-AWEZNQCLSA-N 2 1 351.451 0.856 20 0 FCADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158339239 850038291 /nfs/dbraw/zinc/03/82/91/850038291.db2.gz MJRKSNJRWLCGSK-CYBMUJFWSA-N 2 1 366.487 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@H+]1C ZINC001158380040 850041464 /nfs/dbraw/zinc/04/14/64/850041464.db2.gz KQUBPXPTYJAANO-JHJVBQTASA-N 2 1 355.401 0.362 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001158403546 850047387 /nfs/dbraw/zinc/04/73/87/850047387.db2.gz JNHKMKSOOQMOSA-OWCLPIDISA-N 2 1 359.536 0.637 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159339451 850109621 /nfs/dbraw/zinc/10/96/21/850109621.db2.gz NXVCKBCXYDTESK-OCCSQVGLSA-N 2 1 352.410 0.426 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnc(C[NH3+])s3)CC[C@@H]2C1 ZINC001159636128 850126028 /nfs/dbraw/zinc/12/60/28/850126028.db2.gz SMIDSGSCKANRGK-CHWSQXEVSA-N 2 1 354.476 0.411 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3cnc(C[NH3+])s3)CC[C@@H]2C1 ZINC001159636128 850126032 /nfs/dbraw/zinc/12/60/32/850126032.db2.gz SMIDSGSCKANRGK-CHWSQXEVSA-N 2 1 354.476 0.411 20 0 FCADMP O=C(N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159832068 850139635 /nfs/dbraw/zinc/13/96/35/850139635.db2.gz AZXTVSANBQYEAU-ATNYBXOESA-N 2 1 361.515 0.517 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834933 850139656 /nfs/dbraw/zinc/13/96/56/850139656.db2.gz WUHBQMZEWMRRGS-IHRRRGAJSA-N 3 1 369.560 0.585 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834933 850139661 /nfs/dbraw/zinc/13/96/61/850139661.db2.gz WUHBQMZEWMRRGS-IHRRRGAJSA-N 2 1 369.560 0.585 20 0 FCADMP CC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160669420 850191397 /nfs/dbraw/zinc/19/13/97/850191397.db2.gz DJTJDSBZHKLENG-INIZCTEOSA-N 2 1 350.507 0.574 20 0 FCADMP CC(C)CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857742 850207817 /nfs/dbraw/zinc/20/78/17/850207817.db2.gz OEHPDDGRVWPXAR-BZUAXINKSA-N 2 1 356.511 0.352 20 0 FCADMP CC(C)CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857742 850207826 /nfs/dbraw/zinc/20/78/26/850207826.db2.gz OEHPDDGRVWPXAR-BZUAXINKSA-N 2 1 356.511 0.352 20 0 FCADMP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001453 850220124 /nfs/dbraw/zinc/22/01/24/850220124.db2.gz YOJASVMUNHRIJH-RDJZCZTQSA-N 3 1 350.507 0.166 20 0 FCADMP C[C@@]1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001161196638 850239193 /nfs/dbraw/zinc/23/91/93/850239193.db2.gz PPLRRZBGRDGIOC-IBGZPJMESA-N 3 1 352.523 0.679 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001162125337 850298692 /nfs/dbraw/zinc/29/86/92/850298692.db2.gz YRQGDGAXRHQFET-UHFFFAOYSA-N 2 1 364.475 0.106 20 0 FCADMP Nc1[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1I ZINC001163100998 850354577 /nfs/dbraw/zinc/35/45/77/850354577.db2.gz DASFNAONIQXZIE-NQMVMOMDSA-N 2 1 360.199 0.915 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2nc(Cl)nc3c2C[NH2+]CC3)C1 ZINC001163115777 850355376 /nfs/dbraw/zinc/35/53/76/850355376.db2.gz IFOFILUXJGTPKE-GFCCVEGCSA-N 2 1 353.854 0.881 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277833322 862121074 /nfs/dbraw/zinc/12/10/74/862121074.db2.gz BYGYJMABICZPKL-QGZVFWFLSA-N 3 1 354.539 0.565 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCOC[C@@](O)(C(F)(F)F)C3)n2)CC1 ZINC001164296519 850404343 /nfs/dbraw/zinc/40/43/43/850404343.db2.gz ZGAVGRYQIJJYPC-CQSZACIVSA-N 2 1 361.368 0.534 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001164582024 850417285 /nfs/dbraw/zinc/41/72/85/850417285.db2.gz CNSYBYVOGVGDNL-HUUCEWRRSA-N 2 1 351.495 0.228 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169133189 850608345 /nfs/dbraw/zinc/60/83/45/850608345.db2.gz CPZFORLUCRIWMB-QDMKHBRRSA-N 2 1 367.519 0.416 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2nnn(C)n2)CC[N@@H+]1C ZINC001170878856 850670115 /nfs/dbraw/zinc/67/01/15/850670115.db2.gz RYKVGXSJFDPUSJ-QLFBSQMISA-N 2 1 351.499 0.705 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2nnn(C)n2)CC[N@H+]1C ZINC001170878856 850670119 /nfs/dbraw/zinc/67/01/19/850670119.db2.gz RYKVGXSJFDPUSJ-QLFBSQMISA-N 2 1 351.499 0.705 20 0 FCADMP CCOC(=O)CN(CC[NH3+])c1cc(/C=C/[NH+](C)C)c(OCOC)cn1 ZINC001170993942 850673164 /nfs/dbraw/zinc/67/31/64/850673164.db2.gz FGXHYRIRHNXPSV-SOFGYWHQSA-N 2 1 352.435 0.925 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485709 850685668 /nfs/dbraw/zinc/68/56/68/850685668.db2.gz CIVUFFFHOLULEK-RBSFLKMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485709 850685671 /nfs/dbraw/zinc/68/56/71/850685671.db2.gz CIVUFFFHOLULEK-RBSFLKMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487895 850686313 /nfs/dbraw/zinc/68/63/13/850686313.db2.gz YKSJGYOVSPVGLF-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487895 850686322 /nfs/dbraw/zinc/68/63/22/850686322.db2.gz YKSJGYOVSPVGLF-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487255 850686500 /nfs/dbraw/zinc/68/65/00/850686500.db2.gz RWCYDKSAGUAIIC-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487255 850686510 /nfs/dbraw/zinc/68/65/10/850686510.db2.gz RWCYDKSAGUAIIC-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501013 850686735 /nfs/dbraw/zinc/68/67/35/850686735.db2.gz PJYKIJCHRAMQED-SQWLQELKSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501013 850686738 /nfs/dbraw/zinc/68/67/38/850686738.db2.gz PJYKIJCHRAMQED-SQWLQELKSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500283 850687118 /nfs/dbraw/zinc/68/71/18/850687118.db2.gz KDBINMDTOHPMKR-IIAWOOMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500283 850687123 /nfs/dbraw/zinc/68/71/23/850687123.db2.gz KDBINMDTOHPMKR-IIAWOOMASA-N 2 1 352.483 0.299 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172531 850707664 /nfs/dbraw/zinc/70/76/64/850707664.db2.gz FKJDOCVBJNZBAW-XMTFNYHQSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172531 850707669 /nfs/dbraw/zinc/70/76/69/850707669.db2.gz FKJDOCVBJNZBAW-XMTFNYHQSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172531 850707673 /nfs/dbraw/zinc/70/76/73/850707673.db2.gz FKJDOCVBJNZBAW-XMTFNYHQSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C3CCN(C(=O)OC)CC3)CC[C@@H]2C1 ZINC001172737008 850714092 /nfs/dbraw/zinc/71/40/92/850714092.db2.gz GURFNOCCHNUOKD-NVXWUHKLSA-N 2 1 355.479 0.886 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C3CCN(C(=O)OC)CC3)CC[C@@H]2C1 ZINC001172737008 850714095 /nfs/dbraw/zinc/71/40/95/850714095.db2.gz GURFNOCCHNUOKD-NVXWUHKLSA-N 2 1 355.479 0.886 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C3CCN(C(=O)OC)CC3)CC[C@@H]2C1 ZINC001172737008 850714100 /nfs/dbraw/zinc/71/41/00/850714100.db2.gz GURFNOCCHNUOKD-NVXWUHKLSA-N 2 1 355.479 0.886 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001178701484 850918500 /nfs/dbraw/zinc/91/85/00/850918500.db2.gz KSUNGGFEHOBFFL-MRXNPFEDSA-N 2 1 366.487 0.417 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731194 850921829 /nfs/dbraw/zinc/92/18/29/850921829.db2.gz ORUPLFCQCPXEMA-QXSJWSMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2ncnn2C)O1 ZINC001178810611 850932212 /nfs/dbraw/zinc/93/22/12/850932212.db2.gz ISDWUJOWSJOUHP-HUUCEWRRSA-N 2 1 352.483 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2ncnn2C)O1 ZINC001178810611 850932218 /nfs/dbraw/zinc/93/22/18/850932218.db2.gz ISDWUJOWSJOUHP-HUUCEWRRSA-N 2 1 352.483 0.300 20 0 FCADMP C[NH+]1CCN(CC(=O)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001178947799 850941038 /nfs/dbraw/zinc/94/10/38/850941038.db2.gz AYHBJAFSLWOWJK-INIZCTEOSA-N 2 1 352.523 0.772 20 0 FCADMP CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982711 850943225 /nfs/dbraw/zinc/94/32/25/850943225.db2.gz RAPOHXLOYKALFC-FXUDXRNXSA-N 2 1 354.495 0.201 20 0 FCADMP CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982711 850943231 /nfs/dbraw/zinc/94/32/31/850943231.db2.gz RAPOHXLOYKALFC-FXUDXRNXSA-N 2 1 354.495 0.201 20 0 FCADMP C[N@@H+](CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)C1CCCC1 ZINC001180626205 851055275 /nfs/dbraw/zinc/05/52/75/851055275.db2.gz IFNQADIOHLWENP-UHFFFAOYSA-N 2 1 370.475 0.483 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001180760719 851064742 /nfs/dbraw/zinc/06/47/42/851064742.db2.gz UGZHJNZBULPLCE-ZIFCJYIRSA-N 2 1 351.491 0.524 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001180760719 851064753 /nfs/dbraw/zinc/06/47/53/851064753.db2.gz UGZHJNZBULPLCE-ZIFCJYIRSA-N 2 1 351.491 0.524 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180760719 851064767 /nfs/dbraw/zinc/06/47/67/851064767.db2.gz UGZHJNZBULPLCE-ZIFCJYIRSA-N 2 1 351.491 0.524 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180760719 851064781 /nfs/dbraw/zinc/06/47/81/851064781.db2.gz UGZHJNZBULPLCE-ZIFCJYIRSA-N 2 1 351.491 0.524 20 0 FCADMP Cc1csc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001182676348 851190440 /nfs/dbraw/zinc/19/04/40/851190440.db2.gz IXJRABRHXGGDHX-MGPQQGTHSA-N 2 1 365.503 0.921 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944916 851630387 /nfs/dbraw/zinc/63/03/87/851630387.db2.gz OXAMIKUIVNJSQH-OKZBNKHCSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001188219716 851659901 /nfs/dbraw/zinc/65/99/01/851659901.db2.gz YCRMNYGMKRIMST-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001188219716 851659909 /nfs/dbraw/zinc/65/99/09/851659909.db2.gz YCRMNYGMKRIMST-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001188219716 851659918 /nfs/dbraw/zinc/65/99/18/851659918.db2.gz YCRMNYGMKRIMST-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001188219716 851659923 /nfs/dbraw/zinc/65/99/23/851659923.db2.gz YCRMNYGMKRIMST-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246621 851661019 /nfs/dbraw/zinc/66/10/19/851661019.db2.gz LPKFLAZOMBVCFL-YESZJQIVSA-N 2 1 371.547 0.828 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246621 851661025 /nfs/dbraw/zinc/66/10/25/851661025.db2.gz LPKFLAZOMBVCFL-YESZJQIVSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246621 851661032 /nfs/dbraw/zinc/66/10/32/851661032.db2.gz LPKFLAZOMBVCFL-YESZJQIVSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246621 851661036 /nfs/dbraw/zinc/66/10/36/851661036.db2.gz LPKFLAZOMBVCFL-YESZJQIVSA-N 2 1 371.547 0.828 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246372 851661528 /nfs/dbraw/zinc/66/15/28/851661528.db2.gz JUCPUTGWGPJQOC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246372 851661530 /nfs/dbraw/zinc/66/15/30/851661530.db2.gz JUCPUTGWGPJQOC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246372 851661533 /nfs/dbraw/zinc/66/15/33/851661533.db2.gz JUCPUTGWGPJQOC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246372 851661538 /nfs/dbraw/zinc/66/15/38/851661538.db2.gz JUCPUTGWGPJQOC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001188313792 851669159 /nfs/dbraw/zinc/66/91/59/851669159.db2.gz DEMSSKVKDAUHDA-ARFHVFGLSA-N 2 1 353.511 0.567 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001188313792 851669161 /nfs/dbraw/zinc/66/91/61/851669161.db2.gz DEMSSKVKDAUHDA-ARFHVFGLSA-N 2 1 353.511 0.567 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001188964103 851738256 /nfs/dbraw/zinc/73/82/56/851738256.db2.gz UXURLWOVLJQXOG-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971659 851739460 /nfs/dbraw/zinc/73/94/60/851739460.db2.gz ZZYMYHIOCOFJIQ-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971659 851739462 /nfs/dbraw/zinc/73/94/62/851739462.db2.gz ZZYMYHIOCOFJIQ-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127311 851755129 /nfs/dbraw/zinc/75/51/29/851755129.db2.gz STRSOTIDNLGOEV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127311 851755136 /nfs/dbraw/zinc/75/51/36/851755136.db2.gz STRSOTIDNLGOEV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127311 851755142 /nfs/dbraw/zinc/75/51/42/851755142.db2.gz STRSOTIDNLGOEV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127311 851755148 /nfs/dbraw/zinc/75/51/48/851755148.db2.gz STRSOTIDNLGOEV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189478379 851793563 /nfs/dbraw/zinc/79/35/63/851793563.db2.gz RAATZNSOICETAF-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189478379 851793571 /nfs/dbraw/zinc/79/35/71/851793571.db2.gz RAATZNSOICETAF-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189479058 851793704 /nfs/dbraw/zinc/79/37/04/851793704.db2.gz XCILDTIIKXEUSS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189652713 851811516 /nfs/dbraw/zinc/81/15/16/851811516.db2.gz KYDSHCCURCBHTN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189652713 851811520 /nfs/dbraw/zinc/81/15/20/851811520.db2.gz KYDSHCCURCBHTN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189652713 851811526 /nfs/dbraw/zinc/81/15/26/851811526.db2.gz KYDSHCCURCBHTN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189652713 851811530 /nfs/dbraw/zinc/81/15/30/851811530.db2.gz KYDSHCCURCBHTN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189652713 851811534 /nfs/dbraw/zinc/81/15/34/851811534.db2.gz KYDSHCCURCBHTN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)N3CCCCC3)C[C@H]21 ZINC001189652936 851811702 /nfs/dbraw/zinc/81/17/02/851811702.db2.gz OCRIHYDQHZBFAL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189652936 851811704 /nfs/dbraw/zinc/81/17/04/851811704.db2.gz OCRIHYDQHZBFAL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189652936 851811707 /nfs/dbraw/zinc/81/17/07/851811707.db2.gz OCRIHYDQHZBFAL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189652936 851811711 /nfs/dbraw/zinc/81/17/11/851811711.db2.gz OCRIHYDQHZBFAL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189652936 851811715 /nfs/dbraw/zinc/81/17/15/851811715.db2.gz OCRIHYDQHZBFAL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786644 851823649 /nfs/dbraw/zinc/82/36/49/851823649.db2.gz GZTYKFZAJRSDJB-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786644 851823652 /nfs/dbraw/zinc/82/36/52/851823652.db2.gz GZTYKFZAJRSDJB-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786644 851823655 /nfs/dbraw/zinc/82/36/55/851823655.db2.gz GZTYKFZAJRSDJB-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786644 851823659 /nfs/dbraw/zinc/82/36/59/851823659.db2.gz GZTYKFZAJRSDJB-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801432 851826044 /nfs/dbraw/zinc/82/60/44/851826044.db2.gz GEEYRIZGCIWGRU-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801432 851826050 /nfs/dbraw/zinc/82/60/50/851826050.db2.gz GEEYRIZGCIWGRU-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189810613 851826891 /nfs/dbraw/zinc/82/68/91/851826891.db2.gz COICDRNVRZVTKW-JKSUJKDBSA-N 2 1 350.463 0.902 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189810948 851826936 /nfs/dbraw/zinc/82/69/36/851826936.db2.gz OPDRTBUXADLOFO-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912667 851840217 /nfs/dbraw/zinc/84/02/17/851840217.db2.gz DMKYAESYEYMZEA-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912667 851840230 /nfs/dbraw/zinc/84/02/30/851840230.db2.gz DMKYAESYEYMZEA-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912667 851840242 /nfs/dbraw/zinc/84/02/42/851840242.db2.gz DMKYAESYEYMZEA-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912667 851840254 /nfs/dbraw/zinc/84/02/54/851840254.db2.gz DMKYAESYEYMZEA-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178390 851870559 /nfs/dbraw/zinc/87/05/59/851870559.db2.gz YKFXYGBZHGEGMA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481317 851912073 /nfs/dbraw/zinc/91/20/73/851912073.db2.gz TWSSLMYLAVKEHJ-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481317 851912076 /nfs/dbraw/zinc/91/20/76/851912076.db2.gz TWSSLMYLAVKEHJ-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)C)CC3)[C@@H]2C1 ZINC001278385410 862309946 /nfs/dbraw/zinc/30/99/46/862309946.db2.gz LYJAMXSYOHSPBC-HUUCEWRRSA-N 2 1 350.507 0.633 20 0 FCADMP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278426144 862322331 /nfs/dbraw/zinc/32/23/31/862322331.db2.gz KIBULSPYEHGYGQ-GJZGRUSLSA-N 2 1 368.547 0.340 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784910 852137552 /nfs/dbraw/zinc/13/75/52/852137552.db2.gz KRTBJNQYJOYVDZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784910 852137555 /nfs/dbraw/zinc/13/75/55/852137555.db2.gz KRTBJNQYJOYVDZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784910 852137559 /nfs/dbraw/zinc/13/75/59/852137559.db2.gz KRTBJNQYJOYVDZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784910 852137562 /nfs/dbraw/zinc/13/75/62/852137562.db2.gz KRTBJNQYJOYVDZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001193086081 852352196 /nfs/dbraw/zinc/35/21/96/852352196.db2.gz RBYOQRCUUNLQEW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)CC[N@H+]1C ZINC001193086081 852352198 /nfs/dbraw/zinc/35/21/98/852352198.db2.gz RBYOQRCUUNLQEW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)CC[NH+]1C ZINC001193086081 852352205 /nfs/dbraw/zinc/35/22/05/852352205.db2.gz RBYOQRCUUNLQEW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)CC[NH+]1C ZINC001193086081 852352208 /nfs/dbraw/zinc/35/22/08/852352208.db2.gz RBYOQRCUUNLQEW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728812 852478102 /nfs/dbraw/zinc/47/81/02/852478102.db2.gz TXABHUNFLHSWEG-RCCFBDPRSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728812 852478111 /nfs/dbraw/zinc/47/81/11/852478111.db2.gz TXABHUNFLHSWEG-RCCFBDPRSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728812 852478119 /nfs/dbraw/zinc/47/81/19/852478119.db2.gz TXABHUNFLHSWEG-RCCFBDPRSA-N 2 1 355.523 0.941 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001193738087 852479807 /nfs/dbraw/zinc/47/98/07/852479807.db2.gz MSWMEEHZXMLHCS-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193738087 852479797 /nfs/dbraw/zinc/47/97/97/852479797.db2.gz MSWMEEHZXMLHCS-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193738087 852479802 /nfs/dbraw/zinc/47/98/02/852479802.db2.gz MSWMEEHZXMLHCS-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001193766268 852485456 /nfs/dbraw/zinc/48/54/56/852485456.db2.gz QXFICGRXOOBYAF-ZACQAIPSSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001194038605 852529078 /nfs/dbraw/zinc/52/90/78/852529078.db2.gz GJZPXBDUNDIPEO-IAGOWNOFSA-N 2 1 351.491 0.450 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001194038605 852529085 /nfs/dbraw/zinc/52/90/85/852529085.db2.gz GJZPXBDUNDIPEO-IAGOWNOFSA-N 2 1 351.491 0.450 20 0 FCADMP CC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102437 852537123 /nfs/dbraw/zinc/53/71/23/852537123.db2.gz KYBNYAOXQUKZTN-SDKBWNRFSA-N 2 1 353.507 0.862 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194244697 852564425 /nfs/dbraw/zinc/56/44/25/852564425.db2.gz WNAIPDXGMIJNRN-BRWVUGGUSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194244697 852564432 /nfs/dbraw/zinc/56/44/32/852564432.db2.gz WNAIPDXGMIJNRN-BRWVUGGUSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194244697 852564438 /nfs/dbraw/zinc/56/44/38/852564438.db2.gz WNAIPDXGMIJNRN-BRWVUGGUSA-N 2 1 355.523 0.819 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)CCCCC1 ZINC001194960664 852680169 /nfs/dbraw/zinc/68/01/69/852680169.db2.gz BVICPYYEORPQJU-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982467 852685486 /nfs/dbraw/zinc/68/54/86/852685486.db2.gz LBECAGRRXPJAFE-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982467 852685490 /nfs/dbraw/zinc/68/54/90/852685490.db2.gz LBECAGRRXPJAFE-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001195676768 852810646 /nfs/dbraw/zinc/81/06/46/852810646.db2.gz KEIGBFPBBBTSEL-IXDOHACOSA-N 2 1 353.507 0.431 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001195702092 852814293 /nfs/dbraw/zinc/81/42/93/852814293.db2.gz XHODLYZABHCBNW-HUUCEWRRSA-N 2 1 363.487 0.694 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001195702092 852814300 /nfs/dbraw/zinc/81/43/00/852814300.db2.gz XHODLYZABHCBNW-HUUCEWRRSA-N 2 1 363.487 0.694 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001196090077 852888614 /nfs/dbraw/zinc/88/86/14/852888614.db2.gz GFLPDKMVIMPYAW-FVQBIDKESA-N 2 1 350.463 0.808 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O)C2 ZINC001196167222 852902961 /nfs/dbraw/zinc/90/29/61/852902961.db2.gz CITLLLNCGVAUMM-USXIJHARSA-N 2 1 350.463 0.340 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1O)C2 ZINC001196167222 852902970 /nfs/dbraw/zinc/90/29/70/852902970.db2.gz CITLLLNCGVAUMM-USXIJHARSA-N 2 1 350.463 0.340 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519831 852971345 /nfs/dbraw/zinc/97/13/45/852971345.db2.gz UQRLQIHTXFWYOF-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519831 852971347 /nfs/dbraw/zinc/97/13/47/852971347.db2.gz UQRLQIHTXFWYOF-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001196630788 852989045 /nfs/dbraw/zinc/98/90/45/852989045.db2.gz DGUHRQGXOQZHDR-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001196630788 852989047 /nfs/dbraw/zinc/98/90/47/852989047.db2.gz DGUHRQGXOQZHDR-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001196630788 852989051 /nfs/dbraw/zinc/98/90/51/852989051.db2.gz DGUHRQGXOQZHDR-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001196630788 852989054 /nfs/dbraw/zinc/98/90/54/852989054.db2.gz DGUHRQGXOQZHDR-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001196919424 853030548 /nfs/dbraw/zinc/03/05/48/853030548.db2.gz LQKDCFMBUMUMGF-GVDBMIGSSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001196919424 853030556 /nfs/dbraw/zinc/03/05/56/853030556.db2.gz LQKDCFMBUMUMGF-GVDBMIGSSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001196926532 853032302 /nfs/dbraw/zinc/03/23/02/853032302.db2.gz YQDNSEOGMBWPKU-GVDBMIGSSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001196926532 853032314 /nfs/dbraw/zinc/03/23/14/853032314.db2.gz YQDNSEOGMBWPKU-GVDBMIGSSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001196926265 853032625 /nfs/dbraw/zinc/03/26/25/853032625.db2.gz UPMPTRWAWFJEAL-GVDBMIGSSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001196926265 853032630 /nfs/dbraw/zinc/03/26/30/853032630.db2.gz UPMPTRWAWFJEAL-GVDBMIGSSA-N 2 1 350.463 0.702 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197050108 853052678 /nfs/dbraw/zinc/05/26/78/853052678.db2.gz WUGKSZATPVFXOS-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197050108 853052679 /nfs/dbraw/zinc/05/26/79/853052679.db2.gz WUGKSZATPVFXOS-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001197826412 853169060 /nfs/dbraw/zinc/16/90/60/853169060.db2.gz WFPDWQDHAKWESR-RBSFLKMASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038279 853208752 /nfs/dbraw/zinc/20/87/52/853208752.db2.gz NVLNAEJZUXWBEB-BZUAXINKSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038279 853208759 /nfs/dbraw/zinc/20/87/59/853208759.db2.gz NVLNAEJZUXWBEB-BZUAXINKSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038279 853208770 /nfs/dbraw/zinc/20/87/70/853208770.db2.gz NVLNAEJZUXWBEB-BZUAXINKSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038279 853208776 /nfs/dbraw/zinc/20/87/76/853208776.db2.gz NVLNAEJZUXWBEB-BZUAXINKSA-N 2 1 356.511 0.135 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001198699685 853304919 /nfs/dbraw/zinc/30/49/19/853304919.db2.gz WSZVZIVJURNOHF-CGTJXYLNSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001199071022 853363301 /nfs/dbraw/zinc/36/33/01/853363301.db2.gz DBNYDJKGRDUQNO-MGPQQGTHSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001199071022 853363307 /nfs/dbraw/zinc/36/33/07/853363307.db2.gz DBNYDJKGRDUQNO-MGPQQGTHSA-N 2 1 367.412 0.337 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001199095735 853369693 /nfs/dbraw/zinc/36/96/93/853369693.db2.gz KAHGKIVHDMBXSR-CHWSQXEVSA-N 2 1 355.401 0.457 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001199095735 853369699 /nfs/dbraw/zinc/36/96/99/853369699.db2.gz KAHGKIVHDMBXSR-CHWSQXEVSA-N 2 1 355.401 0.457 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001199095735 853369704 /nfs/dbraw/zinc/36/97/04/853369704.db2.gz KAHGKIVHDMBXSR-CHWSQXEVSA-N 2 1 355.401 0.457 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001199370171 853413619 /nfs/dbraw/zinc/41/36/19/853413619.db2.gz NUTTVBYMQTWULQ-KZNAEPCWSA-N 2 1 353.507 0.983 20 0 FCADMP CCO[C@@H]1C[C@H]2CN(C(=S)NCCCN3CCOCC3)CC[N@H+]2C1 ZINC001199943050 853464830 /nfs/dbraw/zinc/46/48/30/853464830.db2.gz VZTOGJSWJDGUJT-JKSUJKDBSA-N 2 1 356.536 0.378 20 0 FCADMP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556485 853502434 /nfs/dbraw/zinc/50/24/34/853502434.db2.gz ZZJMQUVAJKTIEZ-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)CC[N@H+]1C ZINC001200637076 853506093 /nfs/dbraw/zinc/50/60/93/853506093.db2.gz QGFIWOPRRSYILM-DGCLKSJQSA-N 2 1 364.412 0.586 20 0 FCADMP CCCC[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001201238942 853521433 /nfs/dbraw/zinc/52/14/33/853521433.db2.gz FJPGJERKWJPEQQ-VNQPRFMTSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001201238942 853521441 /nfs/dbraw/zinc/52/14/41/853521441.db2.gz FJPGJERKWJPEQQ-VNQPRFMTSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001201230346 853521476 /nfs/dbraw/zinc/52/14/76/853521476.db2.gz NUCDFICLRVQODX-MRVWCRGKSA-N 2 1 367.412 0.599 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001201230346 853521480 /nfs/dbraw/zinc/52/14/80/853521480.db2.gz NUCDFICLRVQODX-MRVWCRGKSA-N 2 1 367.412 0.599 20 0 FCADMP CCC1(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)COC1 ZINC001202948470 853575817 /nfs/dbraw/zinc/57/58/17/853575817.db2.gz FKSXABOXEQDCMI-UHFFFAOYSA-N 2 1 353.507 0.916 20 0 FCADMP CCC1(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)COC1 ZINC001202948470 853575823 /nfs/dbraw/zinc/57/58/23/853575823.db2.gz FKSXABOXEQDCMI-UHFFFAOYSA-N 2 1 353.507 0.916 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001205339877 853604987 /nfs/dbraw/zinc/60/49/87/853604987.db2.gz OCDICVZFXZVZFF-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)OC(C)(C)O1 ZINC001206506638 853695158 /nfs/dbraw/zinc/69/51/58/853695158.db2.gz IYJHUHGKMYDYFE-XGUBFFRZSA-N 2 1 358.479 0.880 20 0 FCADMP COCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OCCOC ZINC001206530358 853696632 /nfs/dbraw/zinc/69/66/32/853696632.db2.gz GPAVPLWBEYZJCR-HOTGVXAUSA-N 2 1 354.447 0.488 20 0 FCADMP COCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OCCOC ZINC001206530358 853696638 /nfs/dbraw/zinc/69/66/38/853696638.db2.gz GPAVPLWBEYZJCR-HOTGVXAUSA-N 2 1 354.447 0.488 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207396624 853808758 /nfs/dbraw/zinc/80/87/58/853808758.db2.gz OESPUGFRJXADOH-QZTJIDSGSA-N 3 1 352.523 0.439 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207396624 853808762 /nfs/dbraw/zinc/80/87/62/853808762.db2.gz OESPUGFRJXADOH-QZTJIDSGSA-N 3 1 352.523 0.439 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207396624 853808766 /nfs/dbraw/zinc/80/87/66/853808766.db2.gz OESPUGFRJXADOH-QZTJIDSGSA-N 3 1 352.523 0.439 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207396624 853808772 /nfs/dbraw/zinc/80/87/72/853808772.db2.gz OESPUGFRJXADOH-QZTJIDSGSA-N 2 1 352.523 0.439 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207396624 853808776 /nfs/dbraw/zinc/80/87/76/853808776.db2.gz OESPUGFRJXADOH-QZTJIDSGSA-N 2 1 352.523 0.439 20 0 FCADMP O=C(C[C@@H]1OC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]21)N1CCOCC1 ZINC001207437730 853813599 /nfs/dbraw/zinc/81/35/99/853813599.db2.gz XWNBZPXCSMDOSZ-KURKYZTESA-N 2 1 351.491 0.572 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@@H]3CCCOC3)CC2)C1 ZINC001207464256 853817452 /nfs/dbraw/zinc/81/74/52/853817452.db2.gz IMWNSTTUXUJIET-KRWDZBQOSA-N 2 1 353.507 0.916 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001207541166 853822056 /nfs/dbraw/zinc/82/20/56/853822056.db2.gz XATZYJPTZHNUDP-BZUAXINKSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001207541166 853822061 /nfs/dbraw/zinc/82/20/61/853822061.db2.gz XATZYJPTZHNUDP-BZUAXINKSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001207541005 853822619 /nfs/dbraw/zinc/82/26/19/853822619.db2.gz PFEMBHHVLLUGDK-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001207541005 853822620 /nfs/dbraw/zinc/82/26/20/853822620.db2.gz PFEMBHHVLLUGDK-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001207541005 853822624 /nfs/dbraw/zinc/82/26/24/853822624.db2.gz PFEMBHHVLLUGDK-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001207757823 853855308 /nfs/dbraw/zinc/85/53/08/853855308.db2.gz NQXLTYZSQZGVKN-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001207757823 853855315 /nfs/dbraw/zinc/85/53/15/853855315.db2.gz NQXLTYZSQZGVKN-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001207757823 853855322 /nfs/dbraw/zinc/85/53/22/853855322.db2.gz NQXLTYZSQZGVKN-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001207757823 853855330 /nfs/dbraw/zinc/85/53/30/853855330.db2.gz NQXLTYZSQZGVKN-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036471 853884708 /nfs/dbraw/zinc/88/47/08/853884708.db2.gz MCNWQJCBUPMJRT-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP COCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036471 853884712 /nfs/dbraw/zinc/88/47/12/853884712.db2.gz MCNWQJCBUPMJRT-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP COCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036471 853884718 /nfs/dbraw/zinc/88/47/18/853884718.db2.gz MCNWQJCBUPMJRT-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001208073255 853891311 /nfs/dbraw/zinc/89/13/11/853891311.db2.gz GIIPEBFNPVOIBW-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073508 853891383 /nfs/dbraw/zinc/89/13/83/853891383.db2.gz CXEOUDNZPQTHCD-QGPMSJSTSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073508 853891391 /nfs/dbraw/zinc/89/13/91/853891391.db2.gz CXEOUDNZPQTHCD-QGPMSJSTSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001208428022 853932126 /nfs/dbraw/zinc/93/21/26/853932126.db2.gz KNDVDKMEFRNFKI-UKPHBRMFSA-N 2 1 350.463 0.199 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001208428022 853932130 /nfs/dbraw/zinc/93/21/30/853932130.db2.gz KNDVDKMEFRNFKI-UKPHBRMFSA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444480 853934148 /nfs/dbraw/zinc/93/41/48/853934148.db2.gz CROGETOEEISCDP-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435088 853934274 /nfs/dbraw/zinc/93/42/74/853934274.db2.gz RLMKWYXQGZTANU-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435088 853934281 /nfs/dbraw/zinc/93/42/81/853934281.db2.gz RLMKWYXQGZTANU-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485914 853940845 /nfs/dbraw/zinc/94/08/45/853940845.db2.gz WDVVEDFNYWLPIC-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496101 853942853 /nfs/dbraw/zinc/94/28/53/853942853.db2.gz JQTXDGNMGKGXBM-BFYDXBDKSA-N 2 1 353.463 0.545 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495862 853942980 /nfs/dbraw/zinc/94/29/80/853942980.db2.gz APHZHXVVDXMHRD-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495862 853942981 /nfs/dbraw/zinc/94/29/81/853942981.db2.gz APHZHXVVDXMHRD-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496462 853943500 /nfs/dbraw/zinc/94/35/00/853943500.db2.gz UCXGEZPGBIEGBV-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496462 853943502 /nfs/dbraw/zinc/94/35/02/853943502.db2.gz UCXGEZPGBIEGBV-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530458 853946645 /nfs/dbraw/zinc/94/66/45/853946645.db2.gz WIIZFSSBRPYHIS-DJIMGWMZSA-N 2 1 356.511 0.162 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613585 853960134 /nfs/dbraw/zinc/96/01/34/853960134.db2.gz OLMHSDMBYCLXGE-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613585 853960138 /nfs/dbraw/zinc/96/01/38/853960138.db2.gz OLMHSDMBYCLXGE-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208613585 853960140 /nfs/dbraw/zinc/96/01/40/853960140.db2.gz OLMHSDMBYCLXGE-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208613585 853960142 /nfs/dbraw/zinc/96/01/42/853960142.db2.gz OLMHSDMBYCLXGE-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327856 854020109 /nfs/dbraw/zinc/02/01/09/854020109.db2.gz RQHGPAGQAATWSK-BFYDXBDKSA-N 2 1 351.495 0.656 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298656 854097391 /nfs/dbraw/zinc/09/73/91/854097391.db2.gz QOPMKDMQQDLUPG-BZUAXINKSA-N 2 1 356.511 0.256 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298937 854098924 /nfs/dbraw/zinc/09/89/24/854098924.db2.gz VIGXSJOMYKZXPP-CHWSQXEVSA-N 2 1 355.401 0.580 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298937 854098931 /nfs/dbraw/zinc/09/89/31/854098931.db2.gz VIGXSJOMYKZXPP-CHWSQXEVSA-N 2 1 355.401 0.580 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426516 854108268 /nfs/dbraw/zinc/10/82/68/854108268.db2.gz HDTHTHGHFURVHB-BRWVUGGUSA-N 2 1 359.511 0.179 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001211046207 854150652 /nfs/dbraw/zinc/15/06/52/854150652.db2.gz JWPQUPAGWHPICH-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416294 854470487 /nfs/dbraw/zinc/47/04/87/854470487.db2.gz HTEFDSLRWDAXDQ-BFHYXJOUSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416294 854470492 /nfs/dbraw/zinc/47/04/92/854470492.db2.gz HTEFDSLRWDAXDQ-BFHYXJOUSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416294 854470497 /nfs/dbraw/zinc/47/04/97/854470497.db2.gz HTEFDSLRWDAXDQ-BFHYXJOUSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416294 854470503 /nfs/dbraw/zinc/47/05/03/854470503.db2.gz HTEFDSLRWDAXDQ-BFHYXJOUSA-N 2 1 367.412 0.599 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430560 854475234 /nfs/dbraw/zinc/47/52/34/854475234.db2.gz RLIWUEMWNKINDT-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430560 854475236 /nfs/dbraw/zinc/47/52/36/854475236.db2.gz RLIWUEMWNKINDT-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430560 854475238 /nfs/dbraw/zinc/47/52/38/854475238.db2.gz RLIWUEMWNKINDT-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342050 854581343 /nfs/dbraw/zinc/58/13/43/854581343.db2.gz DQCVXNFXLNTRHX-JHJVBQTASA-N 2 1 367.412 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342050 854581353 /nfs/dbraw/zinc/58/13/53/854581353.db2.gz DQCVXNFXLNTRHX-JHJVBQTASA-N 2 1 367.412 0.457 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342221 854582445 /nfs/dbraw/zinc/58/24/45/854582445.db2.gz MMCKWKKZSSMYSS-HUUCEWRRSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342221 854582455 /nfs/dbraw/zinc/58/24/55/854582455.db2.gz MMCKWKKZSSMYSS-HUUCEWRRSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374333 854592394 /nfs/dbraw/zinc/59/23/94/854592394.db2.gz BEEFOSOMNGBHLB-IAGOWNOFSA-N 2 1 353.438 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374333 854592403 /nfs/dbraw/zinc/59/24/03/854592403.db2.gz BEEFOSOMNGBHLB-IAGOWNOFSA-N 2 1 353.438 0.972 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213678184 854712409 /nfs/dbraw/zinc/71/24/09/854712409.db2.gz IMHHKZBFEMDAKI-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213678184 854712412 /nfs/dbraw/zinc/71/24/12/854712412.db2.gz IMHHKZBFEMDAKI-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213678184 854712414 /nfs/dbraw/zinc/71/24/14/854712414.db2.gz IMHHKZBFEMDAKI-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728882 854739187 /nfs/dbraw/zinc/73/91/87/854739187.db2.gz XSSKCENELRWREE-YNEHKIRRSA-N 2 1 365.396 0.211 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728882 854739193 /nfs/dbraw/zinc/73/91/93/854739193.db2.gz XSSKCENELRWREE-YNEHKIRRSA-N 2 1 365.396 0.211 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730108 854739713 /nfs/dbraw/zinc/73/97/13/854739713.db2.gz FADPZVRFOOYAOG-HZPDHXFCSA-N 2 1 355.504 0.684 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728916 854739735 /nfs/dbraw/zinc/73/97/35/854739735.db2.gz ZTHOUVHJBRPNGA-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728916 854739739 /nfs/dbraw/zinc/73/97/39/854739739.db2.gz ZTHOUVHJBRPNGA-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754170 854751894 /nfs/dbraw/zinc/75/18/94/854751894.db2.gz VHSCOKLQTVPZHP-BFHYXJOUSA-N 2 1 369.428 0.847 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754170 854751897 /nfs/dbraw/zinc/75/18/97/854751897.db2.gz VHSCOKLQTVPZHP-BFHYXJOUSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001213764807 854757521 /nfs/dbraw/zinc/75/75/21/854757521.db2.gz DSYOREOFLOTDTO-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001213764807 854757524 /nfs/dbraw/zinc/75/75/24/854757524.db2.gz DSYOREOFLOTDTO-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001213764807 854757528 /nfs/dbraw/zinc/75/75/28/854757528.db2.gz DSYOREOFLOTDTO-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664349 854989048 /nfs/dbraw/zinc/98/90/48/854989048.db2.gz XTJOOKAUSDTCHS-KLHDSHLOSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001214845548 855021759 /nfs/dbraw/zinc/02/17/59/855021759.db2.gz YRRYGIVIIZJGKP-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214863853 855025704 /nfs/dbraw/zinc/02/57/04/855025704.db2.gz ZEXDRKNKWUJELX-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001215156038 855074628 /nfs/dbraw/zinc/07/46/28/855074628.db2.gz VLLXANHJCXHOHE-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215536116 855126239 /nfs/dbraw/zinc/12/62/39/855126239.db2.gz JAPVEDTXZZPANY-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C)C1CC1 ZINC001215540322 855126699 /nfs/dbraw/zinc/12/66/99/855126699.db2.gz LUQBSVVVZNQWNP-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC001215938449 855158013 /nfs/dbraw/zinc/15/80/13/855158013.db2.gz ALALLIXPDRCRRP-RBSFLKMASA-N 2 1 361.433 0.569 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216002598 855164215 /nfs/dbraw/zinc/16/42/15/855164215.db2.gz WYBMECZSLSGZBX-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383513 855196398 /nfs/dbraw/zinc/19/63/98/855196398.db2.gz NHLZTHYKIVEHMZ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001216506302 855209705 /nfs/dbraw/zinc/20/97/05/855209705.db2.gz GAPVVJNNWMEICP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001216511338 855209870 /nfs/dbraw/zinc/20/98/70/855209870.db2.gz OAQZDLFCCJLPNA-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217932836 855383938 /nfs/dbraw/zinc/38/39/38/855383938.db2.gz NRRWJAOFDGIYQS-ZJPYXAASSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217932836 855383945 /nfs/dbraw/zinc/38/39/45/855383945.db2.gz NRRWJAOFDGIYQS-ZJPYXAASSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217932836 855383949 /nfs/dbraw/zinc/38/39/49/855383949.db2.gz NRRWJAOFDGIYQS-ZJPYXAASSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217932836 855383950 /nfs/dbraw/zinc/38/39/50/855383950.db2.gz NRRWJAOFDGIYQS-ZJPYXAASSA-N 2 1 353.507 0.911 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523099 855434202 /nfs/dbraw/zinc/43/42/02/855434202.db2.gz HKRMWDCNNNBEDG-GVDBMIGSSA-N 2 1 355.479 0.044 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523099 855434207 /nfs/dbraw/zinc/43/42/07/855434207.db2.gz HKRMWDCNNNBEDG-GVDBMIGSSA-N 2 1 355.479 0.044 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523099 855434216 /nfs/dbraw/zinc/43/42/16/855434216.db2.gz HKRMWDCNNNBEDG-GVDBMIGSSA-N 2 1 355.479 0.044 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523099 855434222 /nfs/dbraw/zinc/43/42/22/855434222.db2.gz HKRMWDCNNNBEDG-GVDBMIGSSA-N 2 1 355.479 0.044 20 0 FCADMP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+]CCC[NH3+] ZINC001218549586 855437505 /nfs/dbraw/zinc/43/75/05/855437505.db2.gz UCBOQHXXVLTHMS-UHFFFAOYSA-N 2 1 370.475 0.812 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001218550884 855438311 /nfs/dbraw/zinc/43/83/11/855438311.db2.gz RUWYTIAXPKIXIW-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218600450 855446512 /nfs/dbraw/zinc/44/65/12/855446512.db2.gz JCNPNFWSZNTREN-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218600450 855446516 /nfs/dbraw/zinc/44/65/16/855446516.db2.gz JCNPNFWSZNTREN-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])c2C1 ZINC001218754116 855474922 /nfs/dbraw/zinc/47/49/22/855474922.db2.gz MNPDBZXARCQKCZ-ZDUSSCGKSA-N 2 1 365.503 0.987 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001218971297 855505409 /nfs/dbraw/zinc/50/54/09/855505409.db2.gz XDODNJRNRMVQDZ-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]21 ZINC001219033447 855518946 /nfs/dbraw/zinc/51/89/46/855518946.db2.gz LUPVZJSJTSZLST-DLBZAZTESA-N 2 1 350.463 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCCOC(C)C)C[C@@H]21 ZINC001219033447 855518955 /nfs/dbraw/zinc/51/89/55/855518955.db2.gz LUPVZJSJTSZLST-DLBZAZTESA-N 2 1 350.463 0.918 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357667 855644474 /nfs/dbraw/zinc/64/44/74/855644474.db2.gz GKWPXAWMJNWOKP-UPJWGTAASA-N 2 1 353.385 0.211 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357667 855644478 /nfs/dbraw/zinc/64/44/78/855644478.db2.gz GKWPXAWMJNWOKP-UPJWGTAASA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357667 855644482 /nfs/dbraw/zinc/64/44/82/855644482.db2.gz GKWPXAWMJNWOKP-UPJWGTAASA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357667 855644487 /nfs/dbraw/zinc/64/44/87/855644487.db2.gz GKWPXAWMJNWOKP-UPJWGTAASA-N 2 1 353.385 0.211 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219724401 855785877 /nfs/dbraw/zinc/78/58/77/855785877.db2.gz JVAYBMSKXHRVQK-BBWFWOEESA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219724401 855785881 /nfs/dbraw/zinc/78/58/81/855785881.db2.gz JVAYBMSKXHRVQK-BBWFWOEESA-N 2 1 359.486 0.644 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792682 855814895 /nfs/dbraw/zinc/81/48/95/855814895.db2.gz ULTZNYKGRHAPGX-KSZLIROESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792682 855814900 /nfs/dbraw/zinc/81/49/00/855814900.db2.gz ULTZNYKGRHAPGX-KSZLIROESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792682 855814909 /nfs/dbraw/zinc/81/49/09/855814909.db2.gz ULTZNYKGRHAPGX-KSZLIROESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792682 855814916 /nfs/dbraw/zinc/81/49/16/855814916.db2.gz ULTZNYKGRHAPGX-KSZLIROESA-N 2 1 355.523 0.798 20 0 FCADMP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219800812 855819615 /nfs/dbraw/zinc/81/96/15/855819615.db2.gz NTDKTWQTWRCWDV-CVEARBPZSA-N 3 1 350.507 0.335 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219813757 855827900 /nfs/dbraw/zinc/82/79/00/855827900.db2.gz CIXMLOJLYYHCFY-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219813757 855827911 /nfs/dbraw/zinc/82/79/11/855827911.db2.gz CIXMLOJLYYHCFY-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219813757 855827923 /nfs/dbraw/zinc/82/79/23/855827923.db2.gz CIXMLOJLYYHCFY-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219850672 855845507 /nfs/dbraw/zinc/84/55/07/855845507.db2.gz ZLPODQNWWSINBX-MXSMSXNCSA-N 3 1 350.507 0.191 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219922741 855879544 /nfs/dbraw/zinc/87/95/44/855879544.db2.gz DTNDMEMYHGJSJX-OIISXLGYSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219922741 855879551 /nfs/dbraw/zinc/87/95/51/855879551.db2.gz DTNDMEMYHGJSJX-OIISXLGYSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219922741 855879558 /nfs/dbraw/zinc/87/95/58/855879558.db2.gz DTNDMEMYHGJSJX-OIISXLGYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034355 855928686 /nfs/dbraw/zinc/92/86/86/855928686.db2.gz RXTMNLACVNMOGS-ASLPWWTFSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034355 855928690 /nfs/dbraw/zinc/92/86/90/855928690.db2.gz RXTMNLACVNMOGS-ASLPWWTFSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034355 855928696 /nfs/dbraw/zinc/92/86/96/855928696.db2.gz RXTMNLACVNMOGS-ASLPWWTFSA-N 2 1 351.491 0.447 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161969 855988083 /nfs/dbraw/zinc/98/80/83/855988083.db2.gz HBLPXKHUJRIUOF-JZXOWHBKSA-N 3 1 350.507 0.478 20 0 FCADMP CN1C[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161969 855988092 /nfs/dbraw/zinc/98/80/92/855988092.db2.gz HBLPXKHUJRIUOF-JZXOWHBKSA-N 2 1 350.507 0.478 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001220158834 855988593 /nfs/dbraw/zinc/98/85/93/855988593.db2.gz IPWZRNXWEZDLQA-JKSUJKDBSA-N 2 1 364.515 0.574 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203462 856007145 /nfs/dbraw/zinc/00/71/45/856007145.db2.gz HCTHBHIHMFRKMU-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203462 856007148 /nfs/dbraw/zinc/00/71/48/856007148.db2.gz HCTHBHIHMFRKMU-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203462 856007152 /nfs/dbraw/zinc/00/71/52/856007152.db2.gz HCTHBHIHMFRKMU-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203462 856007156 /nfs/dbraw/zinc/00/71/56/856007156.db2.gz HCTHBHIHMFRKMU-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216812 856016741 /nfs/dbraw/zinc/01/67/41/856016741.db2.gz ZGYYNNTWFTUOOU-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216812 856016743 /nfs/dbraw/zinc/01/67/43/856016743.db2.gz ZGYYNNTWFTUOOU-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216812 856016749 /nfs/dbraw/zinc/01/67/49/856016749.db2.gz ZGYYNNTWFTUOOU-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216812 856016753 /nfs/dbraw/zinc/01/67/53/856016753.db2.gz ZGYYNNTWFTUOOU-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220251953 856029810 /nfs/dbraw/zinc/02/98/10/856029810.db2.gz KLNCSIYXMVUZQY-JYJNAYRXSA-N 3 1 353.511 0.034 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359274 856081615 /nfs/dbraw/zinc/08/16/15/856081615.db2.gz HLUAKCBPDDQPDU-VKJFTORMSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359274 856081626 /nfs/dbraw/zinc/08/16/26/856081626.db2.gz HLUAKCBPDDQPDU-VKJFTORMSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359274 856081630 /nfs/dbraw/zinc/08/16/30/856081630.db2.gz HLUAKCBPDDQPDU-VKJFTORMSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359274 856081640 /nfs/dbraw/zinc/08/16/40/856081640.db2.gz HLUAKCBPDDQPDU-VKJFTORMSA-N 2 1 359.486 0.785 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369894 856089511 /nfs/dbraw/zinc/08/95/11/856089511.db2.gz WSBQBFDWGZWNFC-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369894 856089517 /nfs/dbraw/zinc/08/95/17/856089517.db2.gz WSBQBFDWGZWNFC-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369894 856089523 /nfs/dbraw/zinc/08/95/23/856089523.db2.gz WSBQBFDWGZWNFC-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387775 856100851 /nfs/dbraw/zinc/10/08/51/856100851.db2.gz QFRUTFNJUWACBE-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1O ZINC001220768293 856289644 /nfs/dbraw/zinc/28/96/44/856289644.db2.gz FIOTXZCMPTZLHP-SJORKVTESA-N 2 1 353.438 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1O ZINC001220768293 856289647 /nfs/dbraw/zinc/28/96/47/856289647.db2.gz FIOTXZCMPTZLHP-SJORKVTESA-N 2 1 353.438 0.108 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825662 856325496 /nfs/dbraw/zinc/32/54/96/856325496.db2.gz ABSKJIWOYDXLFP-KURKYZTESA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825662 856325504 /nfs/dbraw/zinc/32/55/04/856325504.db2.gz ABSKJIWOYDXLFP-KURKYZTESA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825662 856325511 /nfs/dbraw/zinc/32/55/11/856325511.db2.gz ABSKJIWOYDXLFP-KURKYZTESA-N 2 1 355.523 0.821 20 0 FCADMP [NH3+][C@@H](CC(=O)NCCN1CC[NH2+]CC1=O)c1cccc(C(F)(F)F)c1 ZINC001220875119 856351836 /nfs/dbraw/zinc/35/18/36/856351836.db2.gz TZWUVEOIUNPPTR-ZDUSSCGKSA-N 2 1 358.364 0.643 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917072 856372880 /nfs/dbraw/zinc/37/28/80/856372880.db2.gz LUIPYZQANWSWSC-ZWKOTPCHSA-N 2 1 351.539 0.508 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917072 856372892 /nfs/dbraw/zinc/37/28/92/856372892.db2.gz LUIPYZQANWSWSC-ZWKOTPCHSA-N 3 1 351.539 0.508 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917072 856372905 /nfs/dbraw/zinc/37/29/05/856372905.db2.gz LUIPYZQANWSWSC-ZWKOTPCHSA-N 3 1 351.539 0.508 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220994081 856411833 /nfs/dbraw/zinc/41/18/33/856411833.db2.gz AHXQQGUIOYLKJD-KSZLIROESA-N 2 1 353.507 0.983 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001221083402 856453911 /nfs/dbraw/zinc/45/39/11/856453911.db2.gz KAHGKIVHDMBXSR-OLZOCXBDSA-N 2 1 355.401 0.457 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001221083402 856453919 /nfs/dbraw/zinc/45/39/19/856453919.db2.gz KAHGKIVHDMBXSR-OLZOCXBDSA-N 2 1 355.401 0.457 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001221083402 856453923 /nfs/dbraw/zinc/45/39/23/856453923.db2.gz KAHGKIVHDMBXSR-OLZOCXBDSA-N 2 1 355.401 0.457 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001221091276 856457640 /nfs/dbraw/zinc/45/76/40/856457640.db2.gz IXMXVHOSNPHBCP-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001221091276 856457648 /nfs/dbraw/zinc/45/76/48/856457648.db2.gz IXMXVHOSNPHBCP-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001221091276 856457654 /nfs/dbraw/zinc/45/76/54/856457654.db2.gz IXMXVHOSNPHBCP-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001221091276 856457660 /nfs/dbraw/zinc/45/76/60/856457660.db2.gz IXMXVHOSNPHBCP-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001221154818 856488224 /nfs/dbraw/zinc/48/82/24/856488224.db2.gz WIDLZIPCCABXBO-CABCVRRESA-N 2 1 363.449 0.696 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001221154818 856488227 /nfs/dbraw/zinc/48/82/27/856488227.db2.gz WIDLZIPCCABXBO-CABCVRRESA-N 2 1 363.449 0.696 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406587 856558972 /nfs/dbraw/zinc/55/89/72/856558972.db2.gz HDFNBNVUVDQVMH-OAGGEKHMSA-N 2 1 371.547 0.636 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cncs4)CC3)[C@H]2C1 ZINC001279287064 862812821 /nfs/dbraw/zinc/81/28/21/862812821.db2.gz QGWZORZLKJSMLI-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cncs4)CC3)[C@H]2C1 ZINC001279287064 862812832 /nfs/dbraw/zinc/81/28/32/862812832.db2.gz QGWZORZLKJSMLI-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cncs4)CC3)[C@H]2C1 ZINC001279287064 862812842 /nfs/dbraw/zinc/81/28/42/862812842.db2.gz QGWZORZLKJSMLI-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627697 856628223 /nfs/dbraw/zinc/62/82/23/856628223.db2.gz SAYUYYARRWZXRP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627697 856628229 /nfs/dbraw/zinc/62/82/29/856628229.db2.gz SAYUYYARRWZXRP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627697 856628237 /nfs/dbraw/zinc/62/82/37/856628237.db2.gz SAYUYYARRWZXRP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627697 856628240 /nfs/dbraw/zinc/62/82/40/856628240.db2.gz SAYUYYARRWZXRP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279307606 862821593 /nfs/dbraw/zinc/82/15/93/862821593.db2.gz BJYGGOYNFUEQHG-KRWDZBQOSA-N 2 1 351.451 0.116 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765875 856676586 /nfs/dbraw/zinc/67/65/86/856676586.db2.gz YHHXVAVCOPKKJF-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765875 856676596 /nfs/dbraw/zinc/67/65/96/856676596.db2.gz YHHXVAVCOPKKJF-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765875 856676601 /nfs/dbraw/zinc/67/66/01/856676601.db2.gz YHHXVAVCOPKKJF-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765875 856676605 /nfs/dbraw/zinc/67/66/05/856676605.db2.gz YHHXVAVCOPKKJF-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768592 856676718 /nfs/dbraw/zinc/67/67/18/856676718.db2.gz WPADOJOXMMZKKF-FVQBIDKESA-N 2 1 351.447 0.495 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768592 856676720 /nfs/dbraw/zinc/67/67/20/856676720.db2.gz WPADOJOXMMZKKF-FVQBIDKESA-N 2 1 351.447 0.495 20 0 FCADMP CCOC(=O)c1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c[nH]1 ZINC001279322371 862826035 /nfs/dbraw/zinc/82/60/35/862826035.db2.gz XIPXKTZXIPWBEY-SJORKVTESA-N 2 1 350.463 0.638 20 0 FCADMP CCOC(=O)c1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c[nH]1 ZINC001279322371 862826040 /nfs/dbraw/zinc/82/60/40/862826040.db2.gz XIPXKTZXIPWBEY-SJORKVTESA-N 2 1 350.463 0.638 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221879361 856721690 /nfs/dbraw/zinc/72/16/90/856721690.db2.gz AQGZPPSCQWCIRB-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221879361 856721695 /nfs/dbraw/zinc/72/16/95/856721695.db2.gz AQGZPPSCQWCIRB-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221883775 856722877 /nfs/dbraw/zinc/72/28/77/856722877.db2.gz UDBGXZAUOAWIKB-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221883775 856722883 /nfs/dbraw/zinc/72/28/83/856722883.db2.gz UDBGXZAUOAWIKB-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921784 856733613 /nfs/dbraw/zinc/73/36/13/856733613.db2.gz JDZXIXIKGVXISJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921784 856733619 /nfs/dbraw/zinc/73/36/19/856733619.db2.gz JDZXIXIKGVXISJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921784 856733621 /nfs/dbraw/zinc/73/36/21/856733621.db2.gz JDZXIXIKGVXISJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921784 856733626 /nfs/dbraw/zinc/73/36/26/856733626.db2.gz JDZXIXIKGVXISJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1)C1CC1 ZINC001221921693 856734467 /nfs/dbraw/zinc/73/44/67/856734467.db2.gz FMQRIZDEMYYSBP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1)C1CC1 ZINC001221921693 856734474 /nfs/dbraw/zinc/73/44/74/856734474.db2.gz FMQRIZDEMYYSBP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1)C1CC1 ZINC001221921693 856734481 /nfs/dbraw/zinc/73/44/81/856734481.db2.gz FMQRIZDEMYYSBP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1)C1CC1 ZINC001221921693 856734487 /nfs/dbraw/zinc/73/44/87/856734487.db2.gz FMQRIZDEMYYSBP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921715 856734626 /nfs/dbraw/zinc/73/46/26/856734626.db2.gz GFXQRZKTISOCCL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921715 856734630 /nfs/dbraw/zinc/73/46/30/856734630.db2.gz GFXQRZKTISOCCL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921715 856734634 /nfs/dbraw/zinc/73/46/34/856734634.db2.gz GFXQRZKTISOCCL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921715 856734638 /nfs/dbraw/zinc/73/46/38/856734638.db2.gz GFXQRZKTISOCCL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950454 856745945 /nfs/dbraw/zinc/74/59/45/856745945.db2.gz ISKSVFWGAROBNO-OWCLPIDISA-N 2 1 354.495 0.141 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950454 856745956 /nfs/dbraw/zinc/74/59/56/856745956.db2.gz ISKSVFWGAROBNO-OWCLPIDISA-N 2 1 354.495 0.141 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221962470 856750938 /nfs/dbraw/zinc/75/09/38/856750938.db2.gz FPZCLWYTUYPSSB-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221962470 856750945 /nfs/dbraw/zinc/75/09/45/856750945.db2.gz FPZCLWYTUYPSSB-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221972988 856754475 /nfs/dbraw/zinc/75/44/75/856754475.db2.gz STIMOIARPNRZAN-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221972988 856754477 /nfs/dbraw/zinc/75/44/77/856754477.db2.gz STIMOIARPNRZAN-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221972988 856754480 /nfs/dbraw/zinc/75/44/80/856754480.db2.gz STIMOIARPNRZAN-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221972988 856754484 /nfs/dbraw/zinc/75/44/84/856754484.db2.gz STIMOIARPNRZAN-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972698 856755182 /nfs/dbraw/zinc/75/51/82/856755182.db2.gz FPVDUICMFWQWRG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972698 856755193 /nfs/dbraw/zinc/75/51/93/856755193.db2.gz FPVDUICMFWQWRG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972698 856755198 /nfs/dbraw/zinc/75/51/98/856755198.db2.gz FPVDUICMFWQWRG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222046645 856783711 /nfs/dbraw/zinc/78/37/11/856783711.db2.gz OAGIORPZJJVTQZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222046645 856783713 /nfs/dbraw/zinc/78/37/13/856783713.db2.gz OAGIORPZJJVTQZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001222051447 856785269 /nfs/dbraw/zinc/78/52/69/856785269.db2.gz XKSOAAATEUUJIN-HUUCEWRRSA-N 2 1 350.463 0.008 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001222051447 856785282 /nfs/dbraw/zinc/78/52/82/856785282.db2.gz XKSOAAATEUUJIN-HUUCEWRRSA-N 2 1 350.463 0.008 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001222051447 856785295 /nfs/dbraw/zinc/78/52/95/856785295.db2.gz XKSOAAATEUUJIN-HUUCEWRRSA-N 2 1 350.463 0.008 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001222051447 856785304 /nfs/dbraw/zinc/78/53/04/856785304.db2.gz XKSOAAATEUUJIN-HUUCEWRRSA-N 2 1 350.463 0.008 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222708291 856867315 /nfs/dbraw/zinc/86/73/15/856867315.db2.gz SUTZJFYNMUBMRW-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222708291 856867317 /nfs/dbraw/zinc/86/73/17/856867317.db2.gz SUTZJFYNMUBMRW-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222708291 856867328 /nfs/dbraw/zinc/86/73/28/856867328.db2.gz SUTZJFYNMUBMRW-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222788782 856873252 /nfs/dbraw/zinc/87/32/52/856873252.db2.gz ARSUGEGIMZHCDP-ZACQAIPSSA-N 2 1 359.486 0.598 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001223429887 856914941 /nfs/dbraw/zinc/91/49/41/856914941.db2.gz DAMWSAOSGADQBI-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223425501 856915393 /nfs/dbraw/zinc/91/53/93/856915393.db2.gz VPJYXHMEYKKQGA-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223425501 856915399 /nfs/dbraw/zinc/91/53/99/856915399.db2.gz VPJYXHMEYKKQGA-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1)CC(C)(C)C ZINC001223521546 856922979 /nfs/dbraw/zinc/92/29/79/856922979.db2.gz BHCDKTVEQKNQOW-SJORKVTESA-N 2 1 355.523 0.896 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)CC(C)(C)C ZINC001223521546 856922990 /nfs/dbraw/zinc/92/29/90/856922990.db2.gz BHCDKTVEQKNQOW-SJORKVTESA-N 2 1 355.523 0.896 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)CC(C)(C)C ZINC001223521546 856923003 /nfs/dbraw/zinc/92/30/03/856923003.db2.gz BHCDKTVEQKNQOW-SJORKVTESA-N 2 1 355.523 0.896 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522622 856923580 /nfs/dbraw/zinc/92/35/80/856923580.db2.gz VFFXATCXMIFUDU-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522622 856923587 /nfs/dbraw/zinc/92/35/87/856923587.db2.gz VFFXATCXMIFUDU-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522622 856923596 /nfs/dbraw/zinc/92/35/96/856923596.db2.gz VFFXATCXMIFUDU-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H](COCC(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223534238 856924251 /nfs/dbraw/zinc/92/42/51/856924251.db2.gz IMDPWUCYCZMUGZ-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223721123 856940121 /nfs/dbraw/zinc/94/01/21/856940121.db2.gz FZXGTIYKOABCQN-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223721123 856940126 /nfs/dbraw/zinc/94/01/26/856940126.db2.gz FZXGTIYKOABCQN-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912252 856950792 /nfs/dbraw/zinc/95/07/92/856950792.db2.gz PRDRHBIUOSGXEP-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912252 856950797 /nfs/dbraw/zinc/95/07/97/856950797.db2.gz PRDRHBIUOSGXEP-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912252 856950802 /nfs/dbraw/zinc/95/08/02/856950802.db2.gz PRDRHBIUOSGXEP-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CCOCC(F)F)[C@H]2C1 ZINC001223916261 856950994 /nfs/dbraw/zinc/95/09/94/856950994.db2.gz DKCKZBORWAQSRR-CABCVRRESA-N 2 1 363.449 0.769 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912238 856951269 /nfs/dbraw/zinc/95/12/69/856951269.db2.gz PLHCBXPHGXEJTG-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912238 856951272 /nfs/dbraw/zinc/95/12/72/856951272.db2.gz PLHCBXPHGXEJTG-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912238 856951276 /nfs/dbraw/zinc/95/12/76/856951276.db2.gz PLHCBXPHGXEJTG-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129033 856962103 /nfs/dbraw/zinc/96/21/03/856962103.db2.gz CUUWFFSIYUDBBH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129033 856962106 /nfs/dbraw/zinc/96/21/06/856962106.db2.gz CUUWFFSIYUDBBH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140986 856962491 /nfs/dbraw/zinc/96/24/91/856962491.db2.gz TXARISOAMBYTHV-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233058 856970120 /nfs/dbraw/zinc/97/01/20/856970120.db2.gz HOURWSYERPXGPW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233058 856970124 /nfs/dbraw/zinc/97/01/24/856970124.db2.gz HOURWSYERPXGPW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001224233058 856970130 /nfs/dbraw/zinc/97/01/30/856970130.db2.gz HOURWSYERPXGPW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001224233058 856970135 /nfs/dbraw/zinc/97/01/35/856970135.db2.gz HOURWSYERPXGPW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001226773145 857124709 /nfs/dbraw/zinc/12/47/09/857124709.db2.gz DDIGSOBJSBGEOL-OAGGEKHMSA-N 2 1 350.463 0.786 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001226819144 857127794 /nfs/dbraw/zinc/12/77/94/857127794.db2.gz VOLQRNXIKWSFLQ-MRVWCRGKSA-N 2 1 353.467 0.071 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227149886 857145605 /nfs/dbraw/zinc/14/56/05/857145605.db2.gz GZQAVFDOIOEZSK-ZIAGYGMSSA-N 2 1 362.540 0.283 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001228168040 857194674 /nfs/dbraw/zinc/19/46/74/857194674.db2.gz ULMMEWULFDQVSX-ZACQAIPSSA-N 2 1 357.495 0.122 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001228168040 857194681 /nfs/dbraw/zinc/19/46/81/857194681.db2.gz ULMMEWULFDQVSX-ZACQAIPSSA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228603199 857218725 /nfs/dbraw/zinc/21/87/25/857218725.db2.gz OWGBYQMTSIYDHK-LBTNJELSSA-N 2 1 356.486 0.962 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C(=O)N(C)C ZINC001229141368 857252494 /nfs/dbraw/zinc/25/24/94/857252494.db2.gz DOIDEKLTNTWFDN-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229524713 857273269 /nfs/dbraw/zinc/27/32/69/857273269.db2.gz REVWJWOLFLKFPK-BFHYXJOUSA-N 2 1 355.483 0.189 20 0 FCADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001229682364 857281793 /nfs/dbraw/zinc/28/17/93/857281793.db2.gz ADFPFJSZRHRBNO-USXIJHARSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229868255 857290235 /nfs/dbraw/zinc/29/02/35/857290235.db2.gz FNUJHWIRYXWOEU-ARFHVFGLSA-N 2 1 359.536 0.780 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001230137981 857305633 /nfs/dbraw/zinc/30/56/33/857305633.db2.gz AIBWYSZYEFIPKK-GVDBMIGSSA-N 2 1 350.507 0.871 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138273 857306700 /nfs/dbraw/zinc/30/67/00/857306700.db2.gz MIYHQDLXKKMSSL-ARFHVFGLSA-N 2 1 354.495 0.108 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138893 857306972 /nfs/dbraw/zinc/30/69/72/857306972.db2.gz VMRJLPJQDHCXKT-BRWVUGGUSA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001230215687 857315135 /nfs/dbraw/zinc/31/51/35/857315135.db2.gz WMNUYAHZMBKWKM-OAGGEKHMSA-N 2 1 352.479 0.003 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001230215687 857315137 /nfs/dbraw/zinc/31/51/37/857315137.db2.gz WMNUYAHZMBKWKM-OAGGEKHMSA-N 2 1 352.479 0.003 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001230274832 857322844 /nfs/dbraw/zinc/32/28/44/857322844.db2.gz NXYYTVDLFMJYFL-GVDBMIGSSA-N 2 1 351.495 0.601 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001279474376 862903259 /nfs/dbraw/zinc/90/32/59/862903259.db2.gz NCIPTWVWSBYYJI-HKUYNNGSSA-N 2 1 352.523 0.774 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279474380 862904177 /nfs/dbraw/zinc/90/41/77/862904177.db2.gz NCIPTWVWSBYYJI-PKOBYXMFSA-N 2 1 352.523 0.774 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235549871 857427347 /nfs/dbraw/zinc/42/73/47/857427347.db2.gz MBMVQPQVUUHGCN-KBXCAEBGSA-N 2 1 352.479 0.114 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235549871 857427352 /nfs/dbraw/zinc/42/73/52/857427352.db2.gz MBMVQPQVUUHGCN-KBXCAEBGSA-N 2 1 352.479 0.114 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC[C@H]1C[NH2+]CCO1)CC1CC[NH2+]CC1 ZINC001236387086 857441041 /nfs/dbraw/zinc/44/10/41/857441041.db2.gz UJBLSPNCSFODSG-IBGZPJMESA-N 3 1 354.539 0.389 20 0 FCADMP [NH3+]CCNC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239360195 857526943 /nfs/dbraw/zinc/52/69/43/857526943.db2.gz DRGVSJATPXJXGH-KRWDZBQOSA-N 3 1 361.559 0.911 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001246019053 857564958 /nfs/dbraw/zinc/56/49/58/857564958.db2.gz HGONNGNCXJEDFD-HKUYNNGSSA-N 2 1 352.475 0.791 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]CC3(C(=O)OC)CC[NH2+]CC3)C[C@H](C1)N2 ZINC001246097074 857569120 /nfs/dbraw/zinc/56/91/20/857569120.db2.gz NLNMOKMFOUQUOA-ZMYVRHLSSA-N 2 1 353.463 0.191 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246254578 857571265 /nfs/dbraw/zinc/57/12/65/857571265.db2.gz HOZPYRCZKDZMDA-WOSRLPQWSA-N 2 1 351.447 0.584 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC001246301973 857572421 /nfs/dbraw/zinc/57/24/21/857572421.db2.gz ZFNRHZYDTLRUIR-WMLDXEAASA-N 2 1 353.488 0.318 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001246280876 857573104 /nfs/dbraw/zinc/57/31/04/857573104.db2.gz SITZWMFIXUPYEV-ZBFHGGJFSA-N 2 1 353.488 0.938 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677419 857589496 /nfs/dbraw/zinc/58/94/96/857589496.db2.gz DNMUVJREVXZBKO-XSWJXKHESA-N 2 1 353.463 0.145 20 0 FCADMP O=C([C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677656 857589521 /nfs/dbraw/zinc/58/95/21/857589521.db2.gz KTYQMESBNWROBN-QAETUUGQSA-N 2 1 352.548 0.961 20 0 FCADMP O=C([C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677656 857589524 /nfs/dbraw/zinc/58/95/24/857589524.db2.gz KTYQMESBNWROBN-QAETUUGQSA-N 2 1 352.548 0.961 20 0 FCADMP O=C([C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677662 857589629 /nfs/dbraw/zinc/58/96/29/857589629.db2.gz KTYQMESBNWROBN-YVSFHVDLSA-N 2 1 352.548 0.961 20 0 FCADMP O=C([C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677662 857589635 /nfs/dbraw/zinc/58/96/35/857589635.db2.gz KTYQMESBNWROBN-YVSFHVDLSA-N 2 1 352.548 0.961 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCN[C@H](C(F)(F)F)C1)C2 ZINC001246674362 857589786 /nfs/dbraw/zinc/58/97/86/857589786.db2.gz RXNGWBOCGRUEIC-RHICEVKNSA-N 2 1 361.408 1.000 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737601 857595621 /nfs/dbraw/zinc/59/56/21/857595621.db2.gz DWJKOECDNUMXBH-PNKHAZJDSA-N 2 1 351.491 0.570 20 0 FCADMP CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750340 857596855 /nfs/dbraw/zinc/59/68/55/857596855.db2.gz ULVOKBKNYGEWQD-APWZRJJASA-N 2 1 350.507 0.430 20 0 FCADMP O=C(c1cscn1)N1C[C@H]2C[C@@H](C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765330 857599835 /nfs/dbraw/zinc/59/98/35/857599835.db2.gz JDKKVDULINIPKV-QLFBSQMISA-N 2 1 361.515 0.631 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936503 857606569 /nfs/dbraw/zinc/60/65/69/857606569.db2.gz LEUSFZANRJRBDL-BPUTZDHNSA-N 2 1 353.463 0.239 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936503 857606571 /nfs/dbraw/zinc/60/65/71/857606571.db2.gz LEUSFZANRJRBDL-BPUTZDHNSA-N 2 1 353.463 0.239 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(F)cc2F)CC1 ZINC001250881777 857668489 /nfs/dbraw/zinc/66/84/89/857668489.db2.gz SWBKLUHOFNTONK-AWEZNQCLSA-N 2 1 357.401 0.458 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252675874 857831242 /nfs/dbraw/zinc/83/12/42/857831242.db2.gz JMJHXDCCWFSOLU-QGZVFWFLSA-N 2 1 351.491 0.596 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]12 ZINC001253201907 857871854 /nfs/dbraw/zinc/87/18/54/857871854.db2.gz BCLCZVCDCVYGTO-ZJIFWQFVSA-N 2 1 357.495 0.913 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001253797106 857915378 /nfs/dbraw/zinc/91/53/78/857915378.db2.gz VRQVWIRCQDFHFK-AOIWGVFYSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001253797106 857915383 /nfs/dbraw/zinc/91/53/83/857915383.db2.gz VRQVWIRCQDFHFK-AOIWGVFYSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001253797106 857915387 /nfs/dbraw/zinc/91/53/87/857915387.db2.gz VRQVWIRCQDFHFK-AOIWGVFYSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001253797106 857915394 /nfs/dbraw/zinc/91/53/94/857915394.db2.gz VRQVWIRCQDFHFK-AOIWGVFYSA-N 2 1 354.491 0.981 20 0 FCADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001279573382 862964514 /nfs/dbraw/zinc/96/45/14/862964514.db2.gz BSYNLMUBYSCIEY-AGUYFDCRSA-N 2 1 352.435 0.902 20 0 FCADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001279573382 862964525 /nfs/dbraw/zinc/96/45/25/862964525.db2.gz BSYNLMUBYSCIEY-AGUYFDCRSA-N 2 1 352.435 0.902 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC001255801604 858033641 /nfs/dbraw/zinc/03/36/41/858033641.db2.gz PKQIIXPJGCETRH-OCCSQVGLSA-N 2 1 370.475 0.243 20 0 FCADMP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279625640 862984925 /nfs/dbraw/zinc/98/49/25/862984925.db2.gz GUWSSDYFARYJRQ-KRWDZBQOSA-N 2 1 374.551 0.301 20 0 FCADMP Cn1cnc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC2CC[NH+](C)CC2)C3)c1 ZINC001279629573 862986761 /nfs/dbraw/zinc/98/67/61/862986761.db2.gz XGKXRCWHARXALA-IYBDPMFKSA-N 2 1 367.519 0.599 20 0 FCADMP Cn1cnc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC2CC[NH+](C)CC2)C3)c1 ZINC001279629573 862986770 /nfs/dbraw/zinc/98/67/70/862986770.db2.gz XGKXRCWHARXALA-IYBDPMFKSA-N 2 1 367.519 0.599 20 0 FCADMP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046562 858765841 /nfs/dbraw/zinc/76/58/41/858765841.db2.gz SSSVERNJICTCAE-MSOLQXFVSA-N 2 1 352.523 0.679 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591076 859013046 /nfs/dbraw/zinc/01/30/46/859013046.db2.gz FJDSPJJKMYEPTK-HOTGVXAUSA-N 2 1 354.495 0.291 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001263762567 859206392 /nfs/dbraw/zinc/20/63/92/859206392.db2.gz HSZKLUHLURZHHH-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP CSC1(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764505 859207030 /nfs/dbraw/zinc/20/70/30/859207030.db2.gz LFVNSJYQBUFIGB-CABCVRRESA-N 2 1 357.568 0.747 20 0 FCADMP CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001263896245 859229069 /nfs/dbraw/zinc/22/90/69/859229069.db2.gz SVGVSWYLOQEJNA-GJZGRUSLSA-N 2 1 365.503 0.401 20 0 FCADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001271138748 859903555 /nfs/dbraw/zinc/90/35/55/859903555.db2.gz HBOPHHMNIFMGCB-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652521 859985618 /nfs/dbraw/zinc/98/56/18/859985618.db2.gz NLGFXOIYCZSHKH-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCCC1OCCO1)C2 ZINC001275292666 861017751 /nfs/dbraw/zinc/01/77/51/861017751.db2.gz FBLYTXFERYXYFE-GOSISDBHSA-N 2 1 355.479 0.252 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(CC2CCOCC2)C(=O)CO3)CC1 ZINC001275555089 861126599 /nfs/dbraw/zinc/12/65/99/861126599.db2.gz KRSDCFWCQLJOIC-UHFFFAOYSA-N 2 1 351.491 0.668 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556414 861127659 /nfs/dbraw/zinc/12/76/59/861127659.db2.gz KJFUVMMWQOUENH-IBGZPJMESA-N 2 1 353.507 0.916 20 0 FCADMP O=C1N(Cc2ncccn2)C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275736105 861179037 /nfs/dbraw/zinc/17/90/37/861179037.db2.gz AVLKBEGBVPVTDI-DLBZAZTESA-N 2 1 351.401 0.551 20 0 FCADMP O=C1N(Cc2ncccn2)C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275736105 861179040 /nfs/dbraw/zinc/17/90/40/861179040.db2.gz AVLKBEGBVPVTDI-DLBZAZTESA-N 2 1 351.401 0.551 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736709 861180550 /nfs/dbraw/zinc/18/05/50/861180550.db2.gz GKRFASQQIRJBMU-MAUKXSAKSA-N 2 1 353.463 0.241 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275742989 861186310 /nfs/dbraw/zinc/18/63/10/861186310.db2.gz KCWWBLHXLOPJET-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001280125926 863276665 /nfs/dbraw/zinc/27/66/65/863276665.db2.gz PPTSPWHHKNANAV-ALXJQNPVSA-N 2 1 350.507 0.491 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280137570 863288185 /nfs/dbraw/zinc/28/81/85/863288185.db2.gz KVUKBTGBFINDHL-QFBILLFUSA-N 2 1 350.507 0.683 20 0 FCADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C(C(=O)N4CCCCO4)=NO[C@@H]3C2)CC1 ZINC001280143379 863292891 /nfs/dbraw/zinc/29/28/91/863292891.db2.gz MKXKQHWRTOZCDL-JKSUJKDBSA-N 2 1 350.463 0.959 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCS(C)(=O)=O)C1 ZINC001280257197 863364183 /nfs/dbraw/zinc/36/41/83/863364183.db2.gz HLJMUMMWPNRSBN-BQJWPVKWSA-N 2 1 371.547 0.493 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001280258246 863365446 /nfs/dbraw/zinc/36/54/46/863365446.db2.gz LKJPLMACDTXXCW-JKSUJKDBSA-N 2 1 350.507 0.635 20 0 FCADMP C[N@H+]1CCC[C@@H](CN2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)C1 ZINC001280262038 863368855 /nfs/dbraw/zinc/36/88/55/863368855.db2.gz WQNQMHNVINSELD-ZBFHGGJFSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)C1 ZINC001280262038 863368865 /nfs/dbraw/zinc/36/88/65/863368865.db2.gz WQNQMHNVINSELD-ZBFHGGJFSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)C1 ZINC001280262038 863368868 /nfs/dbraw/zinc/36/88/68/863368868.db2.gz WQNQMHNVINSELD-ZBFHGGJFSA-N 2 1 353.532 0.898 20 0 FCADMP C[C@@H](O)CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001281577974 863527783 /nfs/dbraw/zinc/52/77/83/863527783.db2.gz QAIZEUTVGQMWKA-JFIYKMOQSA-N 2 1 352.523 0.316 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001281977777 864016540 /nfs/dbraw/zinc/01/65/40/864016540.db2.gz OWDCBLXHJBSTPT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001281977777 864016551 /nfs/dbraw/zinc/01/65/51/864016551.db2.gz OWDCBLXHJBSTPT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001281977777 864016566 /nfs/dbraw/zinc/01/65/66/864016566.db2.gz OWDCBLXHJBSTPT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001296435885 865968387 /nfs/dbraw/zinc/96/83/87/865968387.db2.gz NLKJZEYMZNXAHC-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001349991411 866486449 /nfs/dbraw/zinc/48/64/49/866486449.db2.gz FTHAQYVSRATEGO-BZUAXINKSA-N 2 1 354.495 0.093 20 0 FCADMP COC(=O)[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1 ZINC001307847831 866679007 /nfs/dbraw/zinc/67/90/07/866679007.db2.gz NJNCLNLTSQWEIV-HNNXBMFYSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001316614961 867365718 /nfs/dbraw/zinc/36/57/18/867365718.db2.gz KHVULRHUQXQIOT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP [NH3+]CC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001353508305 867438839 /nfs/dbraw/zinc/43/88/39/867438839.db2.gz ZFRVUSBFOWNZOY-QGZVFWFLSA-N 2 1 353.511 0.163 20 0 FCADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001319627991 867966821 /nfs/dbraw/zinc/96/68/21/867966821.db2.gz YIAMHXLEYAYTAP-KZNAEPCWSA-N 2 1 351.539 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473332 868009162 /nfs/dbraw/zinc/00/91/62/868009162.db2.gz RCOIDSDKSVPLSR-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608432 868031516 /nfs/dbraw/zinc/03/15/16/868031516.db2.gz NZOQZKQGEQYAEI-DLBZAZTESA-N 2 1 350.507 0.779 20 0 FCADMP CN1CC[NH+](CC2(C)CCN(C(=O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001320143178 868092263 /nfs/dbraw/zinc/09/22/63/868092263.db2.gz UFPGPJDCDFEZIF-UHFFFAOYSA-N 2 1 351.539 0.110 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001357403442 868109530 /nfs/dbraw/zinc/10/95/30/868109530.db2.gz CGWWKSUSCQZTEV-INIZCTEOSA-N 2 1 352.523 0.820 20 0 FCADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558892 868131968 /nfs/dbraw/zinc/13/19/68/868131968.db2.gz ARXHNPWIPVBEIK-HOTGVXAUSA-N 2 1 354.495 0.291 20 0 FCADMP CCOC(=O)C[C@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001320445933 868170640 /nfs/dbraw/zinc/17/06/40/868170640.db2.gz PAAXQQXKDVIOAB-CYBMUJFWSA-N 2 1 352.435 0.378 20 0 FCADMP CCOC(=O)C[C@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001320445933 868170651 /nfs/dbraw/zinc/17/06/51/868170651.db2.gz PAAXQQXKDVIOAB-CYBMUJFWSA-N 2 1 352.435 0.378 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001325617572 869958048 /nfs/dbraw/zinc/95/80/48/869958048.db2.gz IXLUZRFRKIXNFJ-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001325655630 869974406 /nfs/dbraw/zinc/97/44/06/869974406.db2.gz HJHLXKACQGPZBL-HSFUPAIVSA-N 2 1 355.523 0.846 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001327521017 870920673 /nfs/dbraw/zinc/92/06/73/870920673.db2.gz QYNKRZCSYSIFEP-CHWSQXEVSA-N 2 1 352.504 0.725 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001327521017 870920678 /nfs/dbraw/zinc/92/06/78/870920678.db2.gz QYNKRZCSYSIFEP-CHWSQXEVSA-N 2 1 352.504 0.725 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001344727524 870997360 /nfs/dbraw/zinc/99/73/60/870997360.db2.gz HOUPEMMUXXZCGA-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001344727524 870997370 /nfs/dbraw/zinc/99/73/70/870997370.db2.gz HOUPEMMUXXZCGA-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001344727524 870997372 /nfs/dbraw/zinc/99/73/72/870997372.db2.gz HOUPEMMUXXZCGA-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001345096099 871188168 /nfs/dbraw/zinc/18/81/68/871188168.db2.gz VRQZPDXPEJQQNP-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001345096099 871188174 /nfs/dbraw/zinc/18/81/74/871188174.db2.gz VRQZPDXPEJQQNP-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001345096099 871188177 /nfs/dbraw/zinc/18/81/77/871188177.db2.gz VRQZPDXPEJQQNP-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP Cc1nocc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001328167266 871260800 /nfs/dbraw/zinc/26/08/00/871260800.db2.gz QJEQOARPYZIPCN-GDBMZVCRSA-N 2 1 350.463 0.766 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001328750590 871606765 /nfs/dbraw/zinc/60/67/65/871606765.db2.gz VNHMAMHLVJGJDI-HIFRSBDPSA-N 2 1 350.463 0.955 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329252044 871911887 /nfs/dbraw/zinc/91/18/87/871911887.db2.gz DOTHKWRXFNPURI-XSLAGTTESA-N 2 1 374.598 0.045 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC001329491939 872066303 /nfs/dbraw/zinc/06/63/03/872066303.db2.gz YPKBTKKLVAKAMN-CVEARBPZSA-N 2 1 357.520 0.391 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)CC[C@@H]21 ZINC001330619681 872736977 /nfs/dbraw/zinc/73/69/77/872736977.db2.gz RWNNINSFGPWVTA-WOPDTQHZSA-N 2 1 354.405 0.916 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453748 873110839 /nfs/dbraw/zinc/11/08/39/873110839.db2.gz PLPPGTQPIFSWMQ-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331906812 873298917 /nfs/dbraw/zinc/29/89/17/873298917.db2.gz XNSPICAMOQUKER-IAGOWNOFSA-N 2 1 353.511 0.163 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331906300 873299191 /nfs/dbraw/zinc/29/91/91/873299191.db2.gz SUEWPGLPUYAALS-BRWVUGGUSA-N 2 1 353.511 0.352 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001331916907 873304010 /nfs/dbraw/zinc/30/40/10/873304010.db2.gz SDGCCRPBZGZTOH-CQSZACIVSA-N 2 1 355.508 0.603 20 0 FCADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333256956 873878808 /nfs/dbraw/zinc/87/88/08/873878808.db2.gz BUVVPUNTNMEFCF-LMMKCTJWSA-N 2 1 352.523 0.807 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001333360622 873922735 /nfs/dbraw/zinc/92/27/35/873922735.db2.gz LJUAPVKGTHRMMS-HUUCEWRRSA-N 2 1 352.479 0.086 20 0 FCADMP COC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826151773 947479307 /nfs/dbraw/zinc/47/93/07/947479307.db2.gz JGLONBAUZXLJBX-QGZVFWFLSA-N 2 1 360.462 0.818 20 0 FCADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926921 949030039 /nfs/dbraw/zinc/03/00/39/949030039.db2.gz ZTFINHYFRATTTQ-ZDUSSCGKSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707655 949469784 /nfs/dbraw/zinc/46/97/84/949469784.db2.gz PRLZGVPRNIBQAA-DGCLKSJQSA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707654 949471292 /nfs/dbraw/zinc/47/12/92/949471292.db2.gz PRLZGVPRNIBQAA-AAEUAGOBSA-N 2 1 363.491 0.959 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709213 949500683 /nfs/dbraw/zinc/50/06/83/949500683.db2.gz YNDDEZGKWPKJQF-CZUORRHYSA-N 2 1 372.477 0.815 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708886 949503720 /nfs/dbraw/zinc/50/37/20/949503720.db2.gz XZGDTQORXZLCSS-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964069 949767157 /nfs/dbraw/zinc/76/71/57/949767157.db2.gz PINXMJQXXUFUBF-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574158028 950268831 /nfs/dbraw/zinc/26/88/31/950268831.db2.gz NBZDSFXAUWZJRG-KGLIPLIRSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576193610 950306231 /nfs/dbraw/zinc/30/62/31/950306231.db2.gz UTZZBORUVXXCGS-CHWSQXEVSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197180 950384129 /nfs/dbraw/zinc/38/41/29/950384129.db2.gz LGUCMJFFUCTGJZ-ZIAGYGMSSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570973976 950401728 /nfs/dbraw/zinc/40/17/28/950401728.db2.gz IVHMFOKLPKMTAM-JKSUJKDBSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974255 950404261 /nfs/dbraw/zinc/40/42/61/950404261.db2.gz LOOPZZOJRRXYOO-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974255 950404274 /nfs/dbraw/zinc/40/42/74/950404274.db2.gz LOOPZZOJRRXYOO-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974255 950404295 /nfs/dbraw/zinc/40/42/95/950404295.db2.gz LOOPZZOJRRXYOO-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576202531 950429796 /nfs/dbraw/zinc/42/97/96/950429796.db2.gz ANAIIUXOPHLTIG-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206222 950565599 /nfs/dbraw/zinc/56/55/99/950565599.db2.gz VQFPBAMGYNIMTL-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208673 950613371 /nfs/dbraw/zinc/61/33/71/950613371.db2.gz RZBMWIZJKIRRSS-NWDGAFQWSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208996 950620942 /nfs/dbraw/zinc/62/09/42/950620942.db2.gz XZCPWPLIVOZSLU-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004644 951150997 /nfs/dbraw/zinc/15/09/97/951150997.db2.gz OXRDIZYOSYRSMV-YPMHNXCESA-N 2 1 361.475 0.713 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092027 951789508 /nfs/dbraw/zinc/78/95/08/951789508.db2.gz YGGLJMCHSCJOBA-BBRMVZONSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092027 951789513 /nfs/dbraw/zinc/78/95/13/951789513.db2.gz YGGLJMCHSCJOBA-BBRMVZONSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575092552 951794358 /nfs/dbraw/zinc/79/43/58/951794358.db2.gz DUGXEDJVSSTCST-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575092553 951794430 /nfs/dbraw/zinc/79/44/30/951794430.db2.gz DUGXEDJVSSTCST-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571064633 951976956 /nfs/dbraw/zinc/97/69/56/951976956.db2.gz VXJOGPVLDHMWSS-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077550 952121458 /nfs/dbraw/zinc/12/14/58/952121458.db2.gz CVVDMAJAKMIJKA-XJKSGUPXSA-N 2 1 370.461 0.347 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571110493 952434243 /nfs/dbraw/zinc/43/42/43/952434243.db2.gz RQXARSCPYZKWDQ-GFCCVEGCSA-N 2 1 373.486 0.715 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000410614944 529408057 /nfs/dbraw/zinc/40/80/57/529408057.db2.gz MYYNPHCGTVQTFU-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000410614944 529408059 /nfs/dbraw/zinc/40/80/59/529408059.db2.gz MYYNPHCGTVQTFU-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000410614944 529408060 /nfs/dbraw/zinc/40/80/60/529408060.db2.gz MYYNPHCGTVQTFU-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000410614944 529408062 /nfs/dbraw/zinc/40/80/62/529408062.db2.gz MYYNPHCGTVQTFU-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCC(O)CC1 ZINC000297014043 214374689 /nfs/dbraw/zinc/37/46/89/214374689.db2.gz REHFQLQJKOXAND-LJQANCHMSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCC(O)CC1 ZINC000297014043 214374693 /nfs/dbraw/zinc/37/46/93/214374693.db2.gz REHFQLQJKOXAND-LJQANCHMSA-N 2 1 361.486 0.850 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961733 529797474 /nfs/dbraw/zinc/79/74/74/529797474.db2.gz IUSAIBMWFLCGDA-LMSBXDPUSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961733 529797475 /nfs/dbraw/zinc/79/74/75/529797475.db2.gz IUSAIBMWFLCGDA-LMSBXDPUSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961733 529797476 /nfs/dbraw/zinc/79/74/76/529797476.db2.gz IUSAIBMWFLCGDA-LMSBXDPUSA-N 2 1 360.502 0.624 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000410779295 529799634 /nfs/dbraw/zinc/79/96/34/529799634.db2.gz IQKHBVASEDLQJO-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410557887 529886228 /nfs/dbraw/zinc/88/62/28/529886228.db2.gz OZVHWURLDQMRPL-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000410781701 529965116 /nfs/dbraw/zinc/96/51/16/529965116.db2.gz CLAJEKWBESJTMT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410781701 529965117 /nfs/dbraw/zinc/96/51/17/529965117.db2.gz CLAJEKWBESJTMT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410781701 529965118 /nfs/dbraw/zinc/96/51/18/529965118.db2.gz CLAJEKWBESJTMT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331502406 215005940 /nfs/dbraw/zinc/00/59/40/215005940.db2.gz QZZVBPDJKZDSDB-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540138 215011223 /nfs/dbraw/zinc/01/12/23/215011223.db2.gz IBQJKLLABZWRNF-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540138 215011225 /nfs/dbraw/zinc/01/12/25/215011225.db2.gz IBQJKLLABZWRNF-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331648851 215029098 /nfs/dbraw/zinc/02/90/98/215029098.db2.gz JZEHARSJHGGBPK-VKJFTORMSA-N 2 1 368.547 0.625 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331648851 215029100 /nfs/dbraw/zinc/02/91/00/215029100.db2.gz JZEHARSJHGGBPK-VKJFTORMSA-N 2 1 368.547 0.625 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCCC1 ZINC000331692030 215034914 /nfs/dbraw/zinc/03/49/14/215034914.db2.gz VFHSQYPCGOKYPF-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691994 215035622 /nfs/dbraw/zinc/03/56/22/215035622.db2.gz VDWBQRSAUHCODY-IIDMSEBBSA-N 2 1 368.547 0.483 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000331728349 215040134 /nfs/dbraw/zinc/04/01/34/215040134.db2.gz ZHRPEBCTMJGRCO-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000331728349 215040138 /nfs/dbraw/zinc/04/01/38/215040138.db2.gz ZHRPEBCTMJGRCO-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000331728349 215040141 /nfs/dbraw/zinc/04/01/41/215040141.db2.gz ZHRPEBCTMJGRCO-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331860150 215058132 /nfs/dbraw/zinc/05/81/32/215058132.db2.gz BFQOXSXYKXLTLX-VGWMRTNUSA-N 2 1 350.507 0.809 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000331999917 215076874 /nfs/dbraw/zinc/07/68/74/215076874.db2.gz BOJKFZRQICKRHR-SOUVJXGZSA-N 2 1 352.479 0.084 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000332062109 215086663 /nfs/dbraw/zinc/08/66/63/215086663.db2.gz PYVPATCDDMJPQV-IRXDYDNUSA-N 2 1 373.501 0.837 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000332062109 215086666 /nfs/dbraw/zinc/08/66/66/215086666.db2.gz PYVPATCDDMJPQV-IRXDYDNUSA-N 2 1 373.501 0.837 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000332098477 215093208 /nfs/dbraw/zinc/09/32/08/215093208.db2.gz XYEMBVVXKDKGQE-ZMSDIMECSA-N 2 1 366.506 0.332 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332260030 215118161 /nfs/dbraw/zinc/11/81/61/215118161.db2.gz DULYOUICSWUVHS-INIZCTEOSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332260030 215118163 /nfs/dbraw/zinc/11/81/63/215118163.db2.gz DULYOUICSWUVHS-INIZCTEOSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332260030 215118166 /nfs/dbraw/zinc/11/81/66/215118166.db2.gz DULYOUICSWUVHS-INIZCTEOSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332260030 215118167 /nfs/dbraw/zinc/11/81/67/215118167.db2.gz DULYOUICSWUVHS-INIZCTEOSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332353236 215135444 /nfs/dbraw/zinc/13/54/44/215135444.db2.gz BLPYLPVOIJEXPY-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332353236 215135447 /nfs/dbraw/zinc/13/54/47/215135447.db2.gz BLPYLPVOIJEXPY-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000332419361 215149770 /nfs/dbraw/zinc/14/97/70/215149770.db2.gz NIOYVVXPSCZEMY-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000332513709 215164455 /nfs/dbraw/zinc/16/44/55/215164455.db2.gz LFMUFCCAUZKCOF-DLBZAZTESA-N 2 1 366.506 0.284 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000333061489 215230194 /nfs/dbraw/zinc/23/01/94/215230194.db2.gz IRWLXRCPMBGMIF-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000333061489 215230196 /nfs/dbraw/zinc/23/01/96/215230196.db2.gz IRWLXRCPMBGMIF-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333061489 215230199 /nfs/dbraw/zinc/23/01/99/215230199.db2.gz IRWLXRCPMBGMIF-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333061489 215230202 /nfs/dbraw/zinc/23/02/02/215230202.db2.gz IRWLXRCPMBGMIF-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000333108968 215236756 /nfs/dbraw/zinc/23/67/56/215236756.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 1 362.478 0.723 20 0 FCADMP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NC(=O)NC3CC3)CCCN2C)cn1 ZINC000333108968 215236760 /nfs/dbraw/zinc/23/67/60/215236760.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 1 362.478 0.723 20 0 FCADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NC(=O)NC3CC3)CCCN2C)cn1 ZINC000333108968 215236761 /nfs/dbraw/zinc/23/67/61/215236761.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 1 362.478 0.723 20 0 FCADMP Cn1ccnc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1C ZINC000333204018 215250231 /nfs/dbraw/zinc/25/02/31/215250231.db2.gz BKVMIIYMEBZZAO-SJORKVTESA-N 2 1 361.490 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000333258289 215255666 /nfs/dbraw/zinc/25/56/66/215255666.db2.gz LRQGMGBJSUAKBV-RHSMWYFYSA-N 2 1 358.552 0.910 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333291367 215259426 /nfs/dbraw/zinc/25/94/26/215259426.db2.gz OSUPNTVAPDLTSC-VQIMIIECSA-N 2 1 364.490 0.054 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333455154 215284864 /nfs/dbraw/zinc/28/48/64/215284864.db2.gz YDPQPBIQFLSWKY-KZNAEPCWSA-N 2 1 372.517 0.843 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555839 215296417 /nfs/dbraw/zinc/29/64/17/215296417.db2.gz KTZRJANWOZLJRA-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555839 215296419 /nfs/dbraw/zinc/29/64/19/215296419.db2.gz KTZRJANWOZLJRA-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333573393 215298686 /nfs/dbraw/zinc/29/86/86/215298686.db2.gz MSWVOUIFSMLHKR-HOTGVXAUSA-N 2 1 354.495 0.779 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333593372 215299605 /nfs/dbraw/zinc/29/96/05/215299605.db2.gz BFUNBFTXOQTUNG-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333593372 215299609 /nfs/dbraw/zinc/29/96/09/215299609.db2.gz BFUNBFTXOQTUNG-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333595683 215299837 /nfs/dbraw/zinc/29/98/37/215299837.db2.gz OXZBJPGXQPYNDQ-HOTGVXAUSA-N 2 1 354.495 0.685 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644880 215305038 /nfs/dbraw/zinc/30/50/38/215305038.db2.gz XXOVHPKISNXSOQ-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643547 215305426 /nfs/dbraw/zinc/30/54/26/215305426.db2.gz IRFZFDATXSGJMT-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP C[C@]1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[NH2+]C1 ZINC000333676324 215307591 /nfs/dbraw/zinc/30/75/91/215307591.db2.gz ZABMHLMWERRSQJ-KRWDZBQOSA-N 2 1 354.495 0.557 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000333728591 215313372 /nfs/dbraw/zinc/31/33/72/215313372.db2.gz HMCHRNUYTMMRPV-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333766061 215317856 /nfs/dbraw/zinc/31/78/56/215317856.db2.gz QIUSTKSQZSRXNL-MRXNPFEDSA-N 2 1 354.495 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333766061 215317859 /nfs/dbraw/zinc/31/78/59/215317859.db2.gz QIUSTKSQZSRXNL-MRXNPFEDSA-N 2 1 354.495 0.339 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333810492 215320739 /nfs/dbraw/zinc/32/07/39/215320739.db2.gz POJCMNXKIXWNON-DLBZAZTESA-N 2 1 363.506 0.609 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333810492 215320744 /nfs/dbraw/zinc/32/07/44/215320744.db2.gz POJCMNXKIXWNON-DLBZAZTESA-N 2 1 363.506 0.609 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H]1C ZINC000333860555 215326073 /nfs/dbraw/zinc/32/60/73/215326073.db2.gz RZEOFCVSEPVVEP-KKBFJZEXSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333894697 215328759 /nfs/dbraw/zinc/32/87/59/215328759.db2.gz HQMOHJGSHHKCCK-SJORKVTESA-N 2 1 353.511 0.032 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333891220 215328824 /nfs/dbraw/zinc/32/88/24/215328824.db2.gz GYPSVWQWIMIKJC-YLFCFFPRSA-N 2 1 363.506 0.323 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000333937041 215332004 /nfs/dbraw/zinc/33/20/04/215332004.db2.gz LCTFOHNNZWXCKN-QGZVFWFLSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333938622 215332796 /nfs/dbraw/zinc/33/27/96/215332796.db2.gz MPOYLFOAERPGGD-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285773212 213394068 /nfs/dbraw/zinc/39/40/68/213394068.db2.gz FDLBMYYIZQEUJL-NVXWUHKLSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773212 213394069 /nfs/dbraw/zinc/39/40/69/213394069.db2.gz FDLBMYYIZQEUJL-NVXWUHKLSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285773212 213394072 /nfs/dbraw/zinc/39/40/72/213394072.db2.gz FDLBMYYIZQEUJL-NVXWUHKLSA-N 2 1 359.474 0.783 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000360572504 215365683 /nfs/dbraw/zinc/36/56/83/215365683.db2.gz LWXHLKGFXNYGIH-CABCVRRESA-N 2 1 367.494 0.927 20 0 FCADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000360915866 215375857 /nfs/dbraw/zinc/37/58/57/215375857.db2.gz ZOYDZMQLTTVYDX-OWCLPIDISA-N 2 1 369.506 0.875 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213964 213303294 /nfs/dbraw/zinc/30/32/94/213303294.db2.gz WGJAPURSPFRMQQ-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213964 213303297 /nfs/dbraw/zinc/30/32/97/213303297.db2.gz WGJAPURSPFRMQQ-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213964 213303299 /nfs/dbraw/zinc/30/32/99/213303299.db2.gz WGJAPURSPFRMQQ-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000285016200 213267334 /nfs/dbraw/zinc/26/73/34/213267334.db2.gz UHRWMPOHIIZHBY-CABCVRRESA-N 2 1 350.463 0.989 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000284963165 213257090 /nfs/dbraw/zinc/25/70/90/213257090.db2.gz JOJUGXJJRAVVGL-SFHVURJKSA-N 2 1 374.485 0.080 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000284963165 213257095 /nfs/dbraw/zinc/25/70/95/213257095.db2.gz JOJUGXJJRAVVGL-SFHVURJKSA-N 2 1 374.485 0.080 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000284963165 213257097 /nfs/dbraw/zinc/25/70/97/213257097.db2.gz JOJUGXJJRAVVGL-SFHVURJKSA-N 2 1 374.485 0.080 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000284650298 213188366 /nfs/dbraw/zinc/18/83/66/213188366.db2.gz SQAJONVPSLBZGV-INIZCTEOSA-N 2 1 350.438 0.755 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284595782 213177325 /nfs/dbraw/zinc/17/73/25/213177325.db2.gz OVIRNWBKBZIGNH-UHFFFAOYSA-N 2 1 360.502 0.960 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284595782 213177328 /nfs/dbraw/zinc/17/73/28/213177328.db2.gz OVIRNWBKBZIGNH-UHFFFAOYSA-N 2 1 360.502 0.960 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)c1ccco1 ZINC000284573323 213170657 /nfs/dbraw/zinc/17/06/57/213170657.db2.gz WCHHHOFBEKYPDL-AWEZNQCLSA-N 2 1 366.462 0.226 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284563854 213169367 /nfs/dbraw/zinc/16/93/67/213169367.db2.gz VSSRJIUJNAGDNV-LSDHHAIUSA-N 2 1 350.463 0.799 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284563854 213169370 /nfs/dbraw/zinc/16/93/70/213169370.db2.gz VSSRJIUJNAGDNV-LSDHHAIUSA-N 2 1 350.463 0.799 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000284554041 213166968 /nfs/dbraw/zinc/16/69/68/213166968.db2.gz VHQPTFXHYLQQTF-OAHLLOKOSA-N 2 1 350.463 0.988 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000284430176 213136765 /nfs/dbraw/zinc/13/67/65/213136765.db2.gz YLQAEZNARQHXRJ-HNNXBMFYSA-N 2 1 365.478 0.315 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000284430176 213136769 /nfs/dbraw/zinc/13/67/69/213136769.db2.gz YLQAEZNARQHXRJ-HNNXBMFYSA-N 2 1 365.478 0.315 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356334 213119624 /nfs/dbraw/zinc/11/96/24/213119624.db2.gz AYAWPXQNGZFPAG-KGLIPLIRSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356334 213119627 /nfs/dbraw/zinc/11/96/27/213119627.db2.gz AYAWPXQNGZFPAG-KGLIPLIRSA-N 2 1 364.494 0.339 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000364670982 215706472 /nfs/dbraw/zinc/70/64/72/215706472.db2.gz GNVBOWJEOIFGND-VQTJNVASSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000364670982 215706474 /nfs/dbraw/zinc/70/64/74/215706474.db2.gz GNVBOWJEOIFGND-VQTJNVASSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000364670982 215706476 /nfs/dbraw/zinc/70/64/76/215706476.db2.gz GNVBOWJEOIFGND-VQTJNVASSA-N 2 1 372.513 0.649 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849016 213020219 /nfs/dbraw/zinc/02/02/19/213020219.db2.gz FRSFOCJAAOSIRM-IAGOWNOFSA-N 2 1 362.474 0.242 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000413038384 237262646 /nfs/dbraw/zinc/26/26/46/237262646.db2.gz DHMYCKDOUWLTOR-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000366729573 216023675 /nfs/dbraw/zinc/02/36/75/216023675.db2.gz WVHUKPJMGDQKAC-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000366729573 216023679 /nfs/dbraw/zinc/02/36/79/216023679.db2.gz WVHUKPJMGDQKAC-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732975 216024043 /nfs/dbraw/zinc/02/40/43/216024043.db2.gz YOVALNXZQMTAAB-MRXNPFEDSA-N 2 1 361.490 0.998 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000413112028 237281474 /nfs/dbraw/zinc/28/14/74/237281474.db2.gz ULBKEJMGTMQPEC-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000413112028 237281483 /nfs/dbraw/zinc/28/14/83/237281483.db2.gz ULBKEJMGTMQPEC-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP C[C@H]1[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000413443870 237334314 /nfs/dbraw/zinc/33/43/14/237334314.db2.gz RNPBCZFYSZVBJU-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[N@@H+](CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000367655585 216147453 /nfs/dbraw/zinc/14/74/53/216147453.db2.gz ZXIXEZVJOYOHEJ-UHFFFAOYSA-N 2 1 359.536 0.924 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000246375931 209384361 /nfs/dbraw/zinc/38/43/61/209384361.db2.gz MZBOZJJFUKYMKA-ROUUACIJSA-N 2 1 358.486 0.912 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000246375931 209384365 /nfs/dbraw/zinc/38/43/65/209384365.db2.gz MZBOZJJFUKYMKA-ROUUACIJSA-N 2 1 358.486 0.912 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000246616394 209394158 /nfs/dbraw/zinc/39/41/58/209394158.db2.gz LPBKXBMDIPOOKI-WSTZPKSXSA-N 2 1 369.550 0.891 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000246535163 209390123 /nfs/dbraw/zinc/39/01/23/209390123.db2.gz AMLCNHZNBVJYNY-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)CN1CC[NH+](C)CC1 ZINC000246535163 209390129 /nfs/dbraw/zinc/39/01/29/209390129.db2.gz AMLCNHZNBVJYNY-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)CN1CC[NH+](C)CC1 ZINC000246535163 209390133 /nfs/dbraw/zinc/39/01/33/209390133.db2.gz AMLCNHZNBVJYNY-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000246450172 209387208 /nfs/dbraw/zinc/38/72/08/209387208.db2.gz OQMHGXROJLBBME-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000246450172 209387213 /nfs/dbraw/zinc/38/72/13/209387213.db2.gz OQMHGXROJLBBME-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000246450172 209387205 /nfs/dbraw/zinc/38/72/05/209387205.db2.gz OQMHGXROJLBBME-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000246178421 209380966 /nfs/dbraw/zinc/38/09/66/209380966.db2.gz BVUGCQXDOWZMKY-YLFCFFPRSA-N 2 1 350.507 0.953 20 0 FCADMP [NH3+]Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000237966146 209362603 /nfs/dbraw/zinc/36/26/03/209362603.db2.gz DCSXBTOGOZNVLG-UHFFFAOYSA-N 2 1 354.458 0.877 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237596239 209355903 /nfs/dbraw/zinc/35/59/03/209355903.db2.gz MCFRCHYIXVJESB-KBPBESRZSA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237596205 209354938 /nfs/dbraw/zinc/35/49/38/209354938.db2.gz MCFRCHYIXVJESB-OKILXGFUSA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237596205 209354941 /nfs/dbraw/zinc/35/49/41/209354941.db2.gz MCFRCHYIXVJESB-OKILXGFUSA-N 2 1 364.494 0.820 20 0 FCADMP CS(=O)(=O)CC[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237332365 209350408 /nfs/dbraw/zinc/35/04/08/209350408.db2.gz YPAQVKJJNCGUKX-INIZCTEOSA-N 2 1 359.536 0.863 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C3([NH3+])CC3)c2)CC1 ZINC000237173609 209349415 /nfs/dbraw/zinc/34/94/15/209349415.db2.gz JIQZZHXHYVKLRX-UHFFFAOYSA-N 2 1 352.460 0.443 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C3([NH3+])CC3)c2)CC1 ZINC000237173609 209349420 /nfs/dbraw/zinc/34/94/20/209349420.db2.gz JIQZZHXHYVKLRX-UHFFFAOYSA-N 2 1 352.460 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCN2CCOCC2(C)C)C[C@H](C)O1 ZINC000194949578 209330610 /nfs/dbraw/zinc/33/06/10/209330610.db2.gz PJCKAHRJJOWTNX-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCN2CCOCC2(C)C)C[C@H](C)O1 ZINC000194949578 209330612 /nfs/dbraw/zinc/33/06/12/209330612.db2.gz PJCKAHRJJOWTNX-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368575581 216266716 /nfs/dbraw/zinc/26/67/16/216266716.db2.gz IWUYONXUNBYQQN-KZNAEPCWSA-N 2 1 350.507 0.260 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000192141644 209295847 /nfs/dbraw/zinc/29/58/47/209295847.db2.gz UCDZYBMGTFTSFZ-UHFFFAOYSA-N 2 1 367.538 0.378 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000368794077 216296178 /nfs/dbraw/zinc/29/61/78/216296178.db2.gz FGMYQPXAJULWPW-HNNXBMFYSA-N 2 1 353.511 0.522 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1CCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326626 /nfs/dbraw/zinc/32/66/26/216326626.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCC[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326630 /nfs/dbraw/zinc/32/66/30/216326630.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCC[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326634 /nfs/dbraw/zinc/32/66/34/216326634.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 2 1 362.518 0.938 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035858 216336012 /nfs/dbraw/zinc/33/60/12/216336012.db2.gz JQDBYEDMNXKOTK-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035858 216336013 /nfs/dbraw/zinc/33/60/13/216336013.db2.gz JQDBYEDMNXKOTK-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038728 216337886 /nfs/dbraw/zinc/33/78/86/216337886.db2.gz OMFSYZRCXHLMSK-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@H+](C)CCOC)CC1=O ZINC000369038728 216337889 /nfs/dbraw/zinc/33/78/89/216337889.db2.gz OMFSYZRCXHLMSK-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@@H+](C)CCOC)CC1=O ZINC000369038728 216337890 /nfs/dbraw/zinc/33/78/90/216337890.db2.gz OMFSYZRCXHLMSK-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369050422 216339830 /nfs/dbraw/zinc/33/98/30/216339830.db2.gz GZXBNKGZYAPORT-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369050422 216339833 /nfs/dbraw/zinc/33/98/33/216339833.db2.gz GZXBNKGZYAPORT-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369050422 216339835 /nfs/dbraw/zinc/33/98/35/216339835.db2.gz GZXBNKGZYAPORT-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395168 216394182 /nfs/dbraw/zinc/39/41/82/216394182.db2.gz LDASNEOEOPXSOX-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369395168 216394184 /nfs/dbraw/zinc/39/41/84/216394184.db2.gz LDASNEOEOPXSOX-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369395168 216394186 /nfs/dbraw/zinc/39/41/86/216394186.db2.gz LDASNEOEOPXSOX-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000189936795 209262776 /nfs/dbraw/zinc/26/27/76/209262776.db2.gz UUNAGDBHWVXOQZ-MRXNPFEDSA-N 2 1 354.539 0.752 20 0 FCADMP CCS(=O)(=O)NCCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188286612 209227532 /nfs/dbraw/zinc/22/75/32/209227532.db2.gz FWSGSJPPSHPNPU-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286612 209227536 /nfs/dbraw/zinc/22/75/36/209227536.db2.gz FWSGSJPPSHPNPU-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP CCS(=O)(=O)NCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286612 209227545 /nfs/dbraw/zinc/22/75/45/209227545.db2.gz FWSGSJPPSHPNPU-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707896 212077004 /nfs/dbraw/zinc/07/70/04/212077004.db2.gz NYOATOBVQAUOAV-KBPBESRZSA-N 2 1 364.519 0.529 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414743887 245318739 /nfs/dbraw/zinc/31/87/39/245318739.db2.gz VKSQYOJGYFBXIQ-WFASDCNBSA-N 2 1 356.492 0.986 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000415075175 245345657 /nfs/dbraw/zinc/34/56/57/245345657.db2.gz BBECVKCXPWAMAX-UONOGXRCSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000415075175 245345661 /nfs/dbraw/zinc/34/56/61/245345661.db2.gz BBECVKCXPWAMAX-UONOGXRCSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[NH2+]1 ZINC000415116042 245349729 /nfs/dbraw/zinc/34/97/29/245349729.db2.gz HJMPFBYHUFAXGH-QWHCGFSZSA-N 2 1 370.475 0.073 20 0 FCADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000415183831 245356777 /nfs/dbraw/zinc/35/67/77/245356777.db2.gz JJWWQOHTTRXRIU-OAHLLOKOSA-N 2 1 362.474 0.650 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414971154 245338237 /nfs/dbraw/zinc/33/82/37/245338237.db2.gz HOXHHFLHDVVYPT-KGLIPLIRSA-N 2 1 350.463 0.914 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000374251892 217114249 /nfs/dbraw/zinc/11/42/49/217114249.db2.gz ZZCXGMAXZIQMKR-DLBZAZTESA-N 2 1 367.538 0.253 20 0 FCADMP COC(=O)c1cn([C@@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000374299320 217116183 /nfs/dbraw/zinc/11/61/83/217116183.db2.gz AKMUTPOEDFSJGV-MRXNPFEDSA-N 2 1 364.494 0.728 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783217 217171835 /nfs/dbraw/zinc/17/18/35/217171835.db2.gz WGTHVKYRGKENEY-SFHVURJKSA-N 2 1 351.539 0.251 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000374783217 217171839 /nfs/dbraw/zinc/17/18/39/217171839.db2.gz WGTHVKYRGKENEY-SFHVURJKSA-N 3 1 351.539 0.251 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000374783217 217171842 /nfs/dbraw/zinc/17/18/42/217171842.db2.gz WGTHVKYRGKENEY-SFHVURJKSA-N 3 1 351.539 0.251 20 0 FCADMP O[C@H](COc1ccccc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374994920 217202234 /nfs/dbraw/zinc/20/22/34/217202234.db2.gz BNFYALRCFYLSFS-KRWDZBQOSA-N 2 1 350.459 0.585 20 0 FCADMP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000183249070 209144286 /nfs/dbraw/zinc/14/42/86/209144286.db2.gz IOSIFODBXQYIQJ-MRXNPFEDSA-N 2 1 350.463 0.551 20 0 FCADMP C[C@@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330154 209144310 /nfs/dbraw/zinc/14/43/10/209144310.db2.gz CUIQGDJMXHUMGG-SXLOBPIMSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330154 209144314 /nfs/dbraw/zinc/14/43/14/209144314.db2.gz CUIQGDJMXHUMGG-SXLOBPIMSA-N 2 1 374.529 0.622 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000375217451 217233992 /nfs/dbraw/zinc/23/39/92/217233992.db2.gz GIBYJBNAVPPNAK-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000375217451 217233995 /nfs/dbraw/zinc/23/39/95/217233995.db2.gz GIBYJBNAVPPNAK-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000375217451 217234000 /nfs/dbraw/zinc/23/40/00/217234000.db2.gz GIBYJBNAVPPNAK-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182327801 209129752 /nfs/dbraw/zinc/12/97/52/209129752.db2.gz SEJHQHOFHJVOAB-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182327801 209129754 /nfs/dbraw/zinc/12/97/54/209129754.db2.gz SEJHQHOFHJVOAB-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375805738 217319818 /nfs/dbraw/zinc/31/98/18/217319818.db2.gz NIRWQMSAPSYCKW-CVEARBPZSA-N 2 1 368.478 0.130 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375805738 217319820 /nfs/dbraw/zinc/31/98/20/217319820.db2.gz NIRWQMSAPSYCKW-CVEARBPZSA-N 2 1 368.478 0.130 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887039 217330089 /nfs/dbraw/zinc/33/00/89/217330089.db2.gz BMPZXKGKTVDDHX-DLBZAZTESA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887039 217330090 /nfs/dbraw/zinc/33/00/90/217330090.db2.gz BMPZXKGKTVDDHX-DLBZAZTESA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887049 217330278 /nfs/dbraw/zinc/33/02/78/217330278.db2.gz BMPZXKGKTVDDHX-SJORKVTESA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887049 217330281 /nfs/dbraw/zinc/33/02/81/217330281.db2.gz BMPZXKGKTVDDHX-SJORKVTESA-N 2 1 367.538 0.957 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273683 245771236 /nfs/dbraw/zinc/77/12/36/245771236.db2.gz BXBJVVVYXKUZSS-KGLIPLIRSA-N 2 1 365.444 0.854 20 0 FCADMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000376231702 217372970 /nfs/dbraw/zinc/37/29/70/217372970.db2.gz JKFGBLNYSBXQPC-KSZLIROESA-N 2 1 352.523 0.724 20 0 FCADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000376231702 217372973 /nfs/dbraw/zinc/37/29/73/217372973.db2.gz JKFGBLNYSBXQPC-KSZLIROESA-N 2 1 352.523 0.724 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376323537 217385156 /nfs/dbraw/zinc/38/51/56/217385156.db2.gz QLPMVHNOININRC-NVXWUHKLSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+](C)C1CC1 ZINC000376331795 217386048 /nfs/dbraw/zinc/38/60/48/217386048.db2.gz CENBBPHICZDXGK-YTTRVJOFSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[N@H+](C)C1CC1 ZINC000376331795 217386052 /nfs/dbraw/zinc/38/60/52/217386052.db2.gz CENBBPHICZDXGK-YTTRVJOFSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000376331795 217386054 /nfs/dbraw/zinc/38/60/54/217386054.db2.gz CENBBPHICZDXGK-YTTRVJOFSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434747 217399348 /nfs/dbraw/zinc/39/93/48/217399348.db2.gz JGUCBDZDYNCVLJ-IAGOWNOFSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000419146242 246014444 /nfs/dbraw/zinc/01/44/44/246014444.db2.gz ICIVWGVXWPOFHZ-IIAWOOMASA-N 2 1 364.515 0.882 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419164494 246027581 /nfs/dbraw/zinc/02/75/81/246027581.db2.gz MCGLYMJKPFJINJ-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419163859 246028860 /nfs/dbraw/zinc/02/88/60/246028860.db2.gz KWJRZIOVKJCPBD-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171374 246033795 /nfs/dbraw/zinc/03/37/95/246033795.db2.gz XNYPSIVZNBFEDF-ROUUACIJSA-N 2 1 374.485 0.247 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000419209742 246056424 /nfs/dbraw/zinc/05/64/24/246056424.db2.gz PVZDWBQPJWNYTP-QWHCGFSZSA-N 2 1 364.412 0.445 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000419209742 246056430 /nfs/dbraw/zinc/05/64/30/246056430.db2.gz PVZDWBQPJWNYTP-QWHCGFSZSA-N 2 1 364.412 0.445 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419211517 246057678 /nfs/dbraw/zinc/05/76/78/246057678.db2.gz SMYBXPWJKJHOLL-KURKYZTESA-N 2 1 356.470 0.588 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419230476 246067261 /nfs/dbraw/zinc/06/72/61/246067261.db2.gz IROGDRFNKIBPGA-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419230476 246067267 /nfs/dbraw/zinc/06/72/67/246067267.db2.gz IROGDRFNKIBPGA-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419220115 246063007 /nfs/dbraw/zinc/06/30/07/246063007.db2.gz UNKWCCYGLJVYAO-INIZCTEOSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224209 246064397 /nfs/dbraw/zinc/06/43/97/246064397.db2.gz FKEBZOAVZHZOIB-UKRRQHHQSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224209 246064401 /nfs/dbraw/zinc/06/44/01/246064401.db2.gz FKEBZOAVZHZOIB-UKRRQHHQSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224544 246065184 /nfs/dbraw/zinc/06/51/84/246065184.db2.gz FUUCNQFCYOZXJY-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1C[NH3+] ZINC000419224074 246065375 /nfs/dbraw/zinc/06/53/75/246065375.db2.gz FCMSWKJFXIIDPA-PVAVHDDUSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419230421 246066700 /nfs/dbraw/zinc/06/67/00/246066700.db2.gz PWMVUUBGOGHFEN-JLSDUUJJSA-N 2 1 358.486 0.867 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)CCC(F)(F)F ZINC000419198027 246048198 /nfs/dbraw/zinc/04/81/98/246048198.db2.gz CECKBWACJVNRNX-AWEZNQCLSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)CCC(F)(F)F ZINC000419198027 246048205 /nfs/dbraw/zinc/04/82/05/246048205.db2.gz CECKBWACJVNRNX-AWEZNQCLSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)CCC(F)(F)F ZINC000419204388 246051397 /nfs/dbraw/zinc/05/13/97/246051397.db2.gz HWMBQEAEFGDMBB-GFCCVEGCSA-N 2 1 352.401 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)CCC(F)(F)F ZINC000419204388 246051402 /nfs/dbraw/zinc/05/14/02/246051402.db2.gz HWMBQEAEFGDMBB-GFCCVEGCSA-N 2 1 352.401 0.587 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)CCC(F)(F)F ZINC000419204389 246051489 /nfs/dbraw/zinc/05/14/89/246051489.db2.gz HWMBQEAEFGDMBB-LBPRGKRZSA-N 2 1 352.401 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)CCC(F)(F)F ZINC000419204389 246051497 /nfs/dbraw/zinc/05/14/97/246051497.db2.gz HWMBQEAEFGDMBB-LBPRGKRZSA-N 2 1 352.401 0.587 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)CCC(F)(F)F ZINC000419206687 246052299 /nfs/dbraw/zinc/05/22/99/246052299.db2.gz LCXLWFZUGNQQKT-GFCCVEGCSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)CCC(F)(F)F ZINC000419206687 246052305 /nfs/dbraw/zinc/05/23/05/246052305.db2.gz LCXLWFZUGNQQKT-GFCCVEGCSA-N 2 1 366.428 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230873 246067945 /nfs/dbraw/zinc/06/79/45/246067945.db2.gz JCHMVQMRFICFNV-XHSDSOJGSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230873 246067950 /nfs/dbraw/zinc/06/79/50/246067950.db2.gz JCHMVQMRFICFNV-XHSDSOJGSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231192 246068095 /nfs/dbraw/zinc/06/80/95/246068095.db2.gz RKBBFDHGVRXPQX-CWRNSKLLSA-N 2 1 366.506 0.596 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419233994 246071154 /nfs/dbraw/zinc/07/11/54/246071154.db2.gz XCUPAUJDQRHRNF-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419243496 246073766 /nfs/dbraw/zinc/07/37/66/246073766.db2.gz UHXFLGFCGTVQBT-HOTGVXAUSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419243496 246073771 /nfs/dbraw/zinc/07/37/71/246073771.db2.gz UHXFLGFCGTVQBT-HOTGVXAUSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419241668 246075433 /nfs/dbraw/zinc/07/54/33/246075433.db2.gz RYJFIDOVWYOYQY-HIFRSBDPSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419241668 246075436 /nfs/dbraw/zinc/07/54/36/246075436.db2.gz RYJFIDOVWYOYQY-HIFRSBDPSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419251167 246076681 /nfs/dbraw/zinc/07/66/81/246076681.db2.gz ZVEVWTDSLFKHAR-OCCSQVGLSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419251167 246076687 /nfs/dbraw/zinc/07/66/87/246076687.db2.gz ZVEVWTDSLFKHAR-OCCSQVGLSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419250616 246076696 /nfs/dbraw/zinc/07/66/96/246076696.db2.gz ZICCQEITVZBKIS-QRWLVFNGSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419250616 246076699 /nfs/dbraw/zinc/07/66/99/246076699.db2.gz ZICCQEITVZBKIS-QRWLVFNGSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419250617 246076843 /nfs/dbraw/zinc/07/68/43/246076843.db2.gz ZICCQEITVZBKIS-YWZLYKJASA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419250617 246076848 /nfs/dbraw/zinc/07/68/48/246076848.db2.gz ZICCQEITVZBKIS-YWZLYKJASA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419253394 246076888 /nfs/dbraw/zinc/07/68/88/246076888.db2.gz UHBXSOMYGFTLMS-ATLSCFEFSA-N 2 1 358.486 0.819 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)[nH+]c1 ZINC000419304630 246093339 /nfs/dbraw/zinc/09/33/39/246093339.db2.gz UXQGATLMKFXMEV-HOCLYGCPSA-N 2 1 359.474 0.719 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)[nH+]c1 ZINC000419304623 246094046 /nfs/dbraw/zinc/09/40/46/246094046.db2.gz UXFRHIMXKDFKOA-GOEBONIOSA-N 2 1 359.474 0.589 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317687 246097285 /nfs/dbraw/zinc/09/72/85/246097285.db2.gz MZYNYDQBUPMOAC-QXRTWZOPSA-N 2 1 356.470 0.681 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317690 246097494 /nfs/dbraw/zinc/09/74/94/246097494.db2.gz MZYNYDQBUPMOAC-UNQWWWNPSA-N 2 1 356.470 0.681 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340329 246103605 /nfs/dbraw/zinc/10/36/05/246103605.db2.gz WMIZQHQLWDZTDH-BIMQEMHKSA-N 2 1 374.460 0.678 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000419294366 246089421 /nfs/dbraw/zinc/08/94/21/246089421.db2.gz BPYADGYIXFJTGE-NVXWUHKLSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000419379878 246124760 /nfs/dbraw/zinc/12/47/60/246124760.db2.gz XGSLKFXGODZWPF-HNNXBMFYSA-N 2 1 352.866 0.929 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000419392158 246128858 /nfs/dbraw/zinc/12/88/58/246128858.db2.gz KOZPEGHQGDECBZ-FQEVSTJZSA-N 2 1 358.486 0.667 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000419392158 246128863 /nfs/dbraw/zinc/12/88/63/246128863.db2.gz KOZPEGHQGDECBZ-FQEVSTJZSA-N 2 1 358.486 0.667 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419388630 246129874 /nfs/dbraw/zinc/12/98/74/246129874.db2.gz SHANMUDPBWGJGX-JSGCOSHPSA-N 2 1 351.451 0.317 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H]1C[NH3+] ZINC000419391738 246129931 /nfs/dbraw/zinc/12/99/31/246129931.db2.gz KFYLSPNXNMYRBB-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419351583 246114699 /nfs/dbraw/zinc/11/46/99/246114699.db2.gz HQPHBZWNMUOGPO-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000419416041 246149563 /nfs/dbraw/zinc/14/95/63/246149563.db2.gz VRUNYJLFWLNGDE-RRFJBIMHSA-N 2 1 368.503 0.432 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419397083 246132693 /nfs/dbraw/zinc/13/26/93/246132693.db2.gz UEXAZBRKHCFUEF-NVXWUHKLSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419397083 246132698 /nfs/dbraw/zinc/13/26/98/246132698.db2.gz UEXAZBRKHCFUEF-NVXWUHKLSA-N 2 1 358.486 0.665 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419399043 246133906 /nfs/dbraw/zinc/13/39/06/246133906.db2.gz YIBXDHFCEFLWKO-MSOLQXFVSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419399043 246133911 /nfs/dbraw/zinc/13/39/11/246133911.db2.gz YIBXDHFCEFLWKO-MSOLQXFVSA-N 2 1 356.470 0.514 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399684 246135728 /nfs/dbraw/zinc/13/57/28/246135728.db2.gz KDJJWDOCCJWQFG-CGTJXYLNSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419407951 246140592 /nfs/dbraw/zinc/14/05/92/246140592.db2.gz LALSANCJYGWWLP-WBVHZDCISA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407732 246142251 /nfs/dbraw/zinc/14/22/51/246142251.db2.gz YUUGYHZXZCLJQE-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409505 246142403 /nfs/dbraw/zinc/14/24/03/246142403.db2.gz FDAUSJPMFZWNLA-OKZBNKHCSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409505 246142409 /nfs/dbraw/zinc/14/24/09/246142409.db2.gz FDAUSJPMFZWNLA-OKZBNKHCSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+]1CCc2ccccc2C1 ZINC000419407563 246142716 /nfs/dbraw/zinc/14/27/16/246142716.db2.gz KRODYVLNKFOAQS-KRWDZBQOSA-N 2 1 358.486 0.937 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419420693 246155171 /nfs/dbraw/zinc/15/51/71/246155171.db2.gz KFUOQYQVRUDNFK-CRAIPNDOSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419421534 246155302 /nfs/dbraw/zinc/15/53/02/246155302.db2.gz LMJWVCVGUHLFSY-HZPDHXFCSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419450101 246168964 /nfs/dbraw/zinc/16/89/64/246168964.db2.gz LCFMYGIYGPOUEU-IAGOWNOFSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000419450664 246169615 /nfs/dbraw/zinc/16/96/15/246169615.db2.gz LXWXLWSGFZNVCS-AWEZNQCLSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000419450664 246169620 /nfs/dbraw/zinc/16/96/20/246169620.db2.gz LXWXLWSGFZNVCS-AWEZNQCLSA-N 2 1 358.442 0.991 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419418952 246151237 /nfs/dbraw/zinc/15/12/37/246151237.db2.gz YUQRPVLIPHVPPM-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000419418275 246152340 /nfs/dbraw/zinc/15/23/40/246152340.db2.gz YBUSEQLGRBFSTR-GZBFAFLISA-N 2 1 352.504 0.971 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505630 246182751 /nfs/dbraw/zinc/18/27/51/246182751.db2.gz LZPBGUMJQVGLOU-IRXDYDNUSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419503403 246183481 /nfs/dbraw/zinc/18/34/81/246183481.db2.gz HJHMOAUQLAVPON-MRXNPFEDSA-N 2 1 361.490 0.168 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501885 246184366 /nfs/dbraw/zinc/18/43/66/246184366.db2.gz FKEXCYIMKWFCRZ-IAGOWNOFSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419527789 246193382 /nfs/dbraw/zinc/19/33/82/246193382.db2.gz GMLVDFGQSFXVFX-BVIKNXMNSA-N 2 1 358.486 0.832 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000419517519 246187967 /nfs/dbraw/zinc/18/79/67/246187967.db2.gz XBYSFIILNVDPDO-BBWFWOEESA-N 2 1 374.485 0.909 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419475487 246176637 /nfs/dbraw/zinc/17/66/37/246176637.db2.gz DVFJTKCHJRRSRK-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419475544 246176908 /nfs/dbraw/zinc/17/69/08/246176908.db2.gz FAPAYYIOSXCPCD-IKGGRYGDSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419481871 246179362 /nfs/dbraw/zinc/17/93/62/246179362.db2.gz PVLJIEBFGXJGKN-XDNAFOTISA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419565291 246203949 /nfs/dbraw/zinc/20/39/49/246203949.db2.gz YQEZWIORJUQHLD-UOJCXKCYSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419565287 246204111 /nfs/dbraw/zinc/20/41/11/246204111.db2.gz YQEZWIORJUQHLD-JWZBEHFJSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419565284 246204409 /nfs/dbraw/zinc/20/44/09/246204409.db2.gz YQEZWIORJUQHLD-GUDXXQAFSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419586455 246211464 /nfs/dbraw/zinc/21/14/64/246211464.db2.gz MYRIHQMYWUNWEO-YLQAJVPDSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419587084 246211529 /nfs/dbraw/zinc/21/15/29/246211529.db2.gz NFGBTWIKXKAEIS-AFAVFJNCSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419537714 246195254 /nfs/dbraw/zinc/19/52/54/246195254.db2.gz WECGFHCJWXNHDA-BPQIPLTHSA-N 2 1 374.485 0.199 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419543585 246196536 /nfs/dbraw/zinc/19/65/36/246196536.db2.gz FWBFUNXZHXIBIE-ZFWWWQNUSA-N 2 1 352.504 0.925 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419539906 246198464 /nfs/dbraw/zinc/19/84/64/246198464.db2.gz QCDDRKPIPLMFFK-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665151 246236565 /nfs/dbraw/zinc/23/65/65/246236565.db2.gz SXPWAVCIYHKDOC-BQFCYCMXSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665158 246238065 /nfs/dbraw/zinc/23/80/65/246238065.db2.gz SXPWAVCIYHKDOC-XYJFISCASA-N 2 1 358.486 0.976 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419668622 246238782 /nfs/dbraw/zinc/23/87/82/246238782.db2.gz DGTDBIGAZCYIRN-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP CN(CCC[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O)CC[NH+](C)C ZINC000377505635 217553945 /nfs/dbraw/zinc/55/39/45/217553945.db2.gz CPPQRKNVQMPUSR-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419695281 246253995 /nfs/dbraw/zinc/25/39/95/246253995.db2.gz KSWZHHWWEIMNET-GVDBMIGSSA-N 2 1 368.522 0.578 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419754077 246284444 /nfs/dbraw/zinc/28/44/44/246284444.db2.gz AWLWBHSCWLEFHN-INIZCTEOSA-N 2 1 350.438 0.584 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C1CC1 ZINC000419763970 246288657 /nfs/dbraw/zinc/28/86/57/246288657.db2.gz OUHJDZPUTUFDIY-SJLPKXTDSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762349 246289797 /nfs/dbraw/zinc/28/97/97/246289797.db2.gz RSVSWPQGUHKYID-GOEBONIOSA-N 2 1 364.465 0.960 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419786859 246297830 /nfs/dbraw/zinc/29/78/30/246297830.db2.gz ZJDDBOYCOHPHIU-ZWKOTPCHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419804718 246301575 /nfs/dbraw/zinc/30/15/75/246301575.db2.gz OSUIFDBUOHKHSE-GASCZTMLSA-N 2 1 354.495 0.380 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419819678 246305399 /nfs/dbraw/zinc/30/53/99/246305399.db2.gz NHSBUUAPSPZSHK-INIZCTEOSA-N 2 1 360.458 0.959 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419833956 246313056 /nfs/dbraw/zinc/31/30/56/246313056.db2.gz ZTQNCNBQRBNVFW-XHSDSOJGSA-N 2 1 360.458 0.601 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419850373 246320403 /nfs/dbraw/zinc/32/04/03/246320403.db2.gz FZFQNXHNDBGXRY-HLLBOEOZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419850373 246320407 /nfs/dbraw/zinc/32/04/07/246320407.db2.gz FZFQNXHNDBGXRY-HLLBOEOZSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000419854212 246324816 /nfs/dbraw/zinc/32/48/16/246324816.db2.gz URSSJQGLYYILQU-UHFFFAOYSA-N 2 1 362.474 0.455 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000419854212 246324820 /nfs/dbraw/zinc/32/48/20/246324820.db2.gz URSSJQGLYYILQU-UHFFFAOYSA-N 2 1 362.474 0.455 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419859213 246327810 /nfs/dbraw/zinc/32/78/10/246327810.db2.gz JHDTYPSEHHBQNM-VBQJREDUSA-N 2 1 366.506 0.188 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000419873103 246341859 /nfs/dbraw/zinc/34/18/59/246341859.db2.gz UTZBABIRYYMDNO-KSZLIROESA-N 2 1 356.470 0.430 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419869055 246337421 /nfs/dbraw/zinc/33/74/21/246337421.db2.gz RGOUTPURVKCCHQ-RVKKMQEKSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419869055 246337426 /nfs/dbraw/zinc/33/74/26/246337426.db2.gz RGOUTPURVKCCHQ-RVKKMQEKSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419869051 246338119 /nfs/dbraw/zinc/33/81/19/246338119.db2.gz RGOUTPURVKCCHQ-RKVPGOIHSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419869051 246338124 /nfs/dbraw/zinc/33/81/24/246338124.db2.gz RGOUTPURVKCCHQ-RKVPGOIHSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419912372 246366094 /nfs/dbraw/zinc/36/60/94/246366094.db2.gz LDKKDICOXCRUGF-YTQUADARSA-N 2 1 370.497 0.693 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419876406 246344765 /nfs/dbraw/zinc/34/47/65/246344765.db2.gz PPSDZGFLDNSAKN-DLBZAZTESA-N 2 1 367.538 0.118 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896928 246358715 /nfs/dbraw/zinc/35/87/15/246358715.db2.gz YIBDJOGMGYHAOW-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419905904 246361121 /nfs/dbraw/zinc/36/11/21/246361121.db2.gz XDPBAOASIJIKKY-XYJFISCASA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419905904 246361126 /nfs/dbraw/zinc/36/11/26/246361126.db2.gz XDPBAOASIJIKKY-XYJFISCASA-N 2 1 358.486 0.976 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419906887 246362158 /nfs/dbraw/zinc/36/21/58/246362158.db2.gz DJJHZQNQPTYWGJ-HDICACEKSA-N 2 1 358.486 0.693 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419971200 246395273 /nfs/dbraw/zinc/39/52/73/246395273.db2.gz DEUADCLRHDKLIO-FZKCQIBNSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419971200 246395280 /nfs/dbraw/zinc/39/52/80/246395280.db2.gz DEUADCLRHDKLIO-FZKCQIBNSA-N 2 1 354.495 0.186 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419973748 246395934 /nfs/dbraw/zinc/39/59/34/246395934.db2.gz IGLDPSWUQBAGMN-MRXNPFEDSA-N 2 1 368.522 0.309 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420010632 246414231 /nfs/dbraw/zinc/41/42/31/246414231.db2.gz FRHSUKJVHPNTFW-GVDBMIGSSA-N 2 1 350.507 0.810 20 0 FCADMP Cc1ccc(NC(=O)CN(C)CCCn2ccnc2)cc1S(N)(=O)=O ZINC000181091313 209107182 /nfs/dbraw/zinc/10/71/82/209107182.db2.gz SVQGEEMEZPEXJJ-UHFFFAOYSA-N 2 1 365.459 0.800 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423366568 247014023 /nfs/dbraw/zinc/01/40/23/247014023.db2.gz XXECZSJUNXUVHD-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423366568 247014028 /nfs/dbraw/zinc/01/40/28/247014028.db2.gz XXECZSJUNXUVHD-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423364149 247014197 /nfs/dbraw/zinc/01/41/97/247014197.db2.gz ATYVIUTYZOTETJ-FUHWJXTLSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423376617 247015939 /nfs/dbraw/zinc/01/59/39/247015939.db2.gz YGXYKWIUKOLBMT-GOSISDBHSA-N 2 1 362.522 0.811 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000423392364 247017977 /nfs/dbraw/zinc/01/79/77/247017977.db2.gz QGIUFXSWQIFFHQ-JYJNAYRXSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423385064 247018914 /nfs/dbraw/zinc/01/89/14/247018914.db2.gz LLFUCVLRVHNOKY-NUJGCVRESA-N 2 1 374.485 0.294 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423385064 247018919 /nfs/dbraw/zinc/01/89/19/247018919.db2.gz LLFUCVLRVHNOKY-NUJGCVRESA-N 2 1 374.485 0.294 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423424435 247023638 /nfs/dbraw/zinc/02/36/38/247023638.db2.gz FPGDLJZFXUDPBA-LUKYLMHMSA-N 2 1 350.507 0.763 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423514175 247039115 /nfs/dbraw/zinc/03/91/15/247039115.db2.gz SJDPUSKWXMHTPY-MRXNPFEDSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000423505153 247040498 /nfs/dbraw/zinc/04/04/98/247040498.db2.gz NWWRHIRSPBOJLN-UHFFFAOYSA-N 2 1 370.497 0.933 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423610860 247074916 /nfs/dbraw/zinc/07/49/16/247074916.db2.gz NDUVOOWOCKDAAU-QGZVFWFLSA-N 2 1 360.502 0.815 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423610860 247074923 /nfs/dbraw/zinc/07/49/23/247074923.db2.gz NDUVOOWOCKDAAU-QGZVFWFLSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423626935 247084483 /nfs/dbraw/zinc/08/44/83/247084483.db2.gz GPWLEERIRHMBDA-GJZGRUSLSA-N 2 1 364.515 0.631 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423656450 247097759 /nfs/dbraw/zinc/09/77/59/247097759.db2.gz UHGLZOUDZBKFRU-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423656450 247097764 /nfs/dbraw/zinc/09/77/64/247097764.db2.gz UHGLZOUDZBKFRU-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423666631 247100408 /nfs/dbraw/zinc/10/04/08/247100408.db2.gz KDZBIGUWNCNBPH-APWZRJJASA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423666631 247100414 /nfs/dbraw/zinc/10/04/14/247100414.db2.gz KDZBIGUWNCNBPH-APWZRJJASA-N 2 1 372.513 0.958 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423663081 247101203 /nfs/dbraw/zinc/10/12/03/247101203.db2.gz NSVRUQLJKPDPFH-RTBURBONSA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423663081 247101207 /nfs/dbraw/zinc/10/12/07/247101207.db2.gz NSVRUQLJKPDPFH-RTBURBONSA-N 2 1 372.513 0.972 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423810734 247144237 /nfs/dbraw/zinc/14/42/37/247144237.db2.gz BEMBSDMUNLLXAQ-YOEHRIQHSA-N 2 1 354.401 0.680 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423810734 247144242 /nfs/dbraw/zinc/14/42/42/247144242.db2.gz BEMBSDMUNLLXAQ-YOEHRIQHSA-N 2 1 354.401 0.680 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@@H]1C ZINC000423901629 247147778 /nfs/dbraw/zinc/14/77/78/247147778.db2.gz UAQNBYVOVQRGLE-HNNXBMFYSA-N 3 1 354.495 0.286 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@@H]1C ZINC000423901629 247147783 /nfs/dbraw/zinc/14/77/83/247147783.db2.gz UAQNBYVOVQRGLE-HNNXBMFYSA-N 3 1 354.495 0.286 20 0 FCADMP [NH3+]C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000423972386 247155363 /nfs/dbraw/zinc/15/53/63/247155363.db2.gz ZNHBNQGWPQLBSY-DLBZAZTESA-N 2 1 366.506 0.333 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423703191 247115799 /nfs/dbraw/zinc/11/57/99/247115799.db2.gz ZROCMZUJBGUMLI-KKUMJFAQSA-N 2 1 354.495 0.018 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423703191 247115804 /nfs/dbraw/zinc/11/58/04/247115804.db2.gz ZROCMZUJBGUMLI-KKUMJFAQSA-N 2 1 354.495 0.018 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423723298 247126856 /nfs/dbraw/zinc/12/68/56/247126856.db2.gz HCXUDBNAFWPOCR-HOTGVXAUSA-N 2 1 362.474 0.628 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423730390 247131336 /nfs/dbraw/zinc/13/13/36/247131336.db2.gz XWNPCGKWKPQHRQ-OAGGEKHMSA-N 2 1 368.522 0.530 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[NH2+]C1 ZINC000424497058 247240620 /nfs/dbraw/zinc/24/06/20/247240620.db2.gz VTTWDDDITNLIFJ-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000424498546 247240842 /nfs/dbraw/zinc/24/08/42/247240842.db2.gz ZXQAFDSXUCTIFP-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000424497451 247240969 /nfs/dbraw/zinc/24/09/69/247240969.db2.gz XDNUHCDEERRAFE-HUUCEWRRSA-N 2 1 354.495 0.141 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424540080 247254365 /nfs/dbraw/zinc/25/43/65/247254365.db2.gz GDVQDNWXJKSWML-YTQUADARSA-N 2 1 370.497 0.835 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000424539523 247255391 /nfs/dbraw/zinc/25/53/91/247255391.db2.gz FRBJJMNJIAZTQF-GOSISDBHSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424540079 247255811 /nfs/dbraw/zinc/25/58/11/247255811.db2.gz GDVQDNWXJKSWML-NZSAHSFTSA-N 2 1 370.497 0.835 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000424548496 247259711 /nfs/dbraw/zinc/25/97/11/247259711.db2.gz PWSVXEKKUYENPL-HNNXBMFYSA-N 2 1 354.495 0.189 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000424548913 247260476 /nfs/dbraw/zinc/26/04/76/247260476.db2.gz QMKIAMXDWLAHTG-HRCADAONSA-N 2 1 366.506 0.060 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000424552298 247262634 /nfs/dbraw/zinc/26/26/34/247262634.db2.gz XKZSWSZYDSTKTC-CABCVRRESA-N 2 1 354.495 0.189 20 0 FCADMP COCC(C)(C)[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000425348443 247326610 /nfs/dbraw/zinc/32/66/10/247326610.db2.gz JMXDRZKZPJBSTI-UHFFFAOYSA-N 2 1 362.522 0.771 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1=O ZINC000425310493 247320724 /nfs/dbraw/zinc/32/07/24/247320724.db2.gz FEKZRQRSOMTKIT-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436350611 248038881 /nfs/dbraw/zinc/03/88/81/248038881.db2.gz WICJNEOREMJYNY-INIZCTEOSA-N 2 1 358.527 0.831 20 0 FCADMP CCn1ccnc1C[N@H+](CCC(=O)NC(=O)NC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693137 248009724 /nfs/dbraw/zinc/00/97/24/248009724.db2.gz SPRNZFJSBCEYMQ-CQSZACIVSA-N 2 1 362.478 0.693 20 0 FCADMP CCn1ccnc1C[N@@H+](CCC(=O)NC(=O)NC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693137 248009726 /nfs/dbraw/zinc/00/97/26/248009726.db2.gz SPRNZFJSBCEYMQ-CQSZACIVSA-N 2 1 362.478 0.693 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000439164490 248113051 /nfs/dbraw/zinc/11/30/51/248113051.db2.gz BTHAORWYFBNLIN-DOTOQJQBSA-N 2 1 368.522 0.483 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OC ZINC000442758040 248295888 /nfs/dbraw/zinc/29/58/88/248295888.db2.gz IFIAKYKAFUOXSJ-OCCSQVGLSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OC ZINC000442758040 248295890 /nfs/dbraw/zinc/29/58/90/248295890.db2.gz IFIAKYKAFUOXSJ-OCCSQVGLSA-N 2 1 351.447 0.998 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039830 248347281 /nfs/dbraw/zinc/34/72/81/248347281.db2.gz YYEUQDKDNINUGF-HUUCEWRRSA-N 2 1 351.499 0.934 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446362999 248387911 /nfs/dbraw/zinc/38/79/11/248387911.db2.gz JZLSTWDQYPXUAG-FCEWJHQRSA-N 2 1 351.491 0.842 20 0 FCADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCn2ccnc2)cc1S(N)(=O)=O ZINC000181091313 209107176 /nfs/dbraw/zinc/10/71/76/209107176.db2.gz SVQGEEMEZPEXJJ-UHFFFAOYSA-N 2 1 365.459 0.800 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271013236 211317817 /nfs/dbraw/zinc/31/78/17/211317817.db2.gz MYVWHBSAYVEIRH-HXUWFJFHSA-N 2 1 374.529 0.867 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000460024220 249826223 /nfs/dbraw/zinc/82/62/23/249826223.db2.gz HMGILGYLHIQQHN-IYBDPMFKSA-N 2 1 368.522 0.233 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000460024220 249826227 /nfs/dbraw/zinc/82/62/27/249826227.db2.gz HMGILGYLHIQQHN-IYBDPMFKSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000460067518 249848541 /nfs/dbraw/zinc/84/85/41/249848541.db2.gz STSUBTBUOJSLMF-INIZCTEOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H](CO)[N@@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000469840886 250008447 /nfs/dbraw/zinc/00/84/47/250008447.db2.gz HFMFLVZJYNBZQT-LJQANCHMSA-N 2 1 374.529 0.719 20 0 FCADMP C[C@H](CO)[N@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000469840886 250008450 /nfs/dbraw/zinc/00/84/50/250008450.db2.gz HFMFLVZJYNBZQT-LJQANCHMSA-N 2 1 374.529 0.719 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000470002302 250019426 /nfs/dbraw/zinc/01/94/26/250019426.db2.gz HULUPPAYXDFWCQ-UHFFFAOYSA-N 2 1 357.458 0.863 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000470002302 250019430 /nfs/dbraw/zinc/01/94/30/250019430.db2.gz HULUPPAYXDFWCQ-UHFFFAOYSA-N 2 1 357.458 0.863 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000471470804 250103679 /nfs/dbraw/zinc/10/36/79/250103679.db2.gz JYJZLWSSUSWUES-PMPSAXMXSA-N 2 1 369.510 0.077 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000471470798 250104308 /nfs/dbraw/zinc/10/43/08/250104308.db2.gz JYJZLWSSUSWUES-BZUAXINKSA-N 2 1 369.510 0.077 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472276028 250143019 /nfs/dbraw/zinc/14/30/19/250143019.db2.gz LYZOQRLSOWBGFY-JKSUJKDBSA-N 2 1 354.495 0.143 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278680 250143529 /nfs/dbraw/zinc/14/35/29/250143529.db2.gz OEFIPUOMKQLQFP-SJLPKXTDSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000474026795 250265117 /nfs/dbraw/zinc/26/51/17/250265117.db2.gz ANOISOGURGKOEJ-KRWDZBQOSA-N 2 1 369.554 0.404 20 0 FCADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1S(N)(=O)=O ZINC000480967763 250302101 /nfs/dbraw/zinc/30/21/01/250302101.db2.gz RWHBWJRPTZCFNU-UHFFFAOYSA-N 2 1 368.503 0.855 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@@H](C)C1 ZINC000480818947 250285910 /nfs/dbraw/zinc/28/59/10/250285910.db2.gz GZRNLPCHLZCZLG-WMZOPIPTSA-N 2 1 354.539 0.923 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCSC1 ZINC000481653291 250347637 /nfs/dbraw/zinc/34/76/37/250347637.db2.gz AQJKFQUKHPRMLH-YOEHRIQHSA-N 2 1 371.551 0.310 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481858554 250368897 /nfs/dbraw/zinc/36/88/97/250368897.db2.gz VQWDNIDUNQYJMX-JKSUJKDBSA-N 2 1 356.511 0.260 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000269702146 211050267 /nfs/dbraw/zinc/05/02/67/211050267.db2.gz MEUWJUWQKKGQJW-OAHLLOKOSA-N 2 1 361.446 0.642 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CC[N@@H+](C)C1 ZINC000413098738 532995321 /nfs/dbraw/zinc/99/53/21/532995321.db2.gz COWYQIAYEZXJJX-OWCLPIDISA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC[NH+](C)C1 ZINC000413098738 532995326 /nfs/dbraw/zinc/99/53/26/532995326.db2.gz COWYQIAYEZXJJX-OWCLPIDISA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC[NH+](C)C1 ZINC000413098738 532995332 /nfs/dbraw/zinc/99/53/32/532995332.db2.gz COWYQIAYEZXJJX-OWCLPIDISA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000413116853 532996113 /nfs/dbraw/zinc/99/61/13/532996113.db2.gz HZJDOAWDCPSYFO-QGZVFWFLSA-N 2 1 362.474 0.994 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1=O ZINC000074198964 208053335 /nfs/dbraw/zinc/05/33/35/208053335.db2.gz VCHYEAQSAXFYKC-LJQANCHMSA-N 2 1 372.513 0.961 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961228 208125748 /nfs/dbraw/zinc/12/57/48/208125748.db2.gz PPRBVPQNXJZBCI-WOJBJXKFSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961228 208125753 /nfs/dbraw/zinc/12/57/53/208125753.db2.gz PPRBVPQNXJZBCI-WOJBJXKFSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961228 208125759 /nfs/dbraw/zinc/12/57/59/208125759.db2.gz PPRBVPQNXJZBCI-WOJBJXKFSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000085406552 208109836 /nfs/dbraw/zinc/10/98/36/208109836.db2.gz TUGMEMIPUSQAOK-PMPSAXMXSA-N 2 1 353.511 0.555 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000085406552 208109841 /nfs/dbraw/zinc/10/98/41/208109841.db2.gz TUGMEMIPUSQAOK-PMPSAXMXSA-N 2 1 353.511 0.555 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000085406552 208109846 /nfs/dbraw/zinc/10/98/46/208109846.db2.gz TUGMEMIPUSQAOK-PMPSAXMXSA-N 2 1 353.511 0.555 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1)C1CC1 ZINC000105322916 208195792 /nfs/dbraw/zinc/19/57/92/208195792.db2.gz MUYDZHVZYSKZOX-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000105322916 208195803 /nfs/dbraw/zinc/19/58/03/208195803.db2.gz MUYDZHVZYSKZOX-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000105322916 208195806 /nfs/dbraw/zinc/19/58/06/208195806.db2.gz MUYDZHVZYSKZOX-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000107369383 208244219 /nfs/dbraw/zinc/24/42/19/208244219.db2.gz XTKYLQASNSXHSL-MRXNPFEDSA-N 2 1 356.470 0.994 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115825849 208327964 /nfs/dbraw/zinc/32/79/64/208327964.db2.gz COFUTGSMGYFPFV-HNNXBMFYSA-N 2 1 353.511 0.522 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115825849 208327966 /nfs/dbraw/zinc/32/79/66/208327966.db2.gz COFUTGSMGYFPFV-HNNXBMFYSA-N 2 1 353.511 0.522 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000267137729 210487138 /nfs/dbraw/zinc/48/71/38/210487138.db2.gz GPEUVEMXUUORQJ-SFHVURJKSA-N 2 1 361.486 0.757 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[N@H+]1C1CC1 ZINC000120595443 208385844 /nfs/dbraw/zinc/38/58/44/208385844.db2.gz UZWIKQNTDGLANQ-VYDXJSESSA-N 2 1 363.506 0.560 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[NH+]1C1CC1 ZINC000120595443 208385851 /nfs/dbraw/zinc/38/58/51/208385851.db2.gz UZWIKQNTDGLANQ-VYDXJSESSA-N 2 1 363.506 0.560 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[NH+]1C1CC1 ZINC000120595443 208385856 /nfs/dbraw/zinc/38/58/56/208385856.db2.gz UZWIKQNTDGLANQ-VYDXJSESSA-N 2 1 363.506 0.560 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120617034 208386589 /nfs/dbraw/zinc/38/65/89/208386589.db2.gz FPYYVABKNWDODX-HZPDHXFCSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000120923901 208395346 /nfs/dbraw/zinc/39/53/46/208395346.db2.gz GKHLDTLWWCBECZ-OAHLLOKOSA-N 2 1 362.474 0.771 20 0 FCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C2)CC1 ZINC000931878215 674149993 /nfs/dbraw/zinc/14/99/93/674149993.db2.gz BVHYBPAVSIWQRG-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)C2)CC1 ZINC000931878215 674149996 /nfs/dbraw/zinc/14/99/96/674149996.db2.gz BVHYBPAVSIWQRG-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266712977 210387427 /nfs/dbraw/zinc/38/74/27/210387427.db2.gz IMDHZVVEHLLOEN-SFHVURJKSA-N 2 1 359.518 0.631 20 0 FCADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2c(=O)n(C)c1=O ZINC000266712087 210387474 /nfs/dbraw/zinc/38/74/74/210387474.db2.gz DVZVMPGDZXXRPQ-HNNXBMFYSA-N 2 1 374.489 0.242 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2c(=O)n(C)c1=O ZINC000266712087 210387478 /nfs/dbraw/zinc/38/74/78/210387478.db2.gz DVZVMPGDZXXRPQ-HNNXBMFYSA-N 2 1 374.489 0.242 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000266743765 210394221 /nfs/dbraw/zinc/39/42/21/210394221.db2.gz LIEMHEHVIJGXBH-ZDUSSCGKSA-N 2 1 363.462 0.582 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000266627635 210371583 /nfs/dbraw/zinc/37/15/83/210371583.db2.gz JLZMMGLKGLCBDR-QGZVFWFLSA-N 2 1 362.474 0.566 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176641118 209008768 /nfs/dbraw/zinc/00/87/68/209008768.db2.gz TXPFWFIELIUENH-CQSZACIVSA-N 2 1 365.478 0.936 20 0 FCADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@@H](C)O1 ZINC000177497829 209025755 /nfs/dbraw/zinc/02/57/55/209025755.db2.gz IDARPPQYRYXQJZ-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320900 209047829 /nfs/dbraw/zinc/04/78/29/209047829.db2.gz XRZLEOJFRNMVDO-LPHOPBHVSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320900 209047831 /nfs/dbraw/zinc/04/78/31/209047831.db2.gz XRZLEOJFRNMVDO-LPHOPBHVSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320900 209047833 /nfs/dbraw/zinc/04/78/33/209047833.db2.gz XRZLEOJFRNMVDO-LPHOPBHVSA-N 2 1 353.507 0.840 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178693207 209057854 /nfs/dbraw/zinc/05/78/54/209057854.db2.gz SUDIQHQXWRVSGJ-HZPDHXFCSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178693207 209057856 /nfs/dbraw/zinc/05/78/56/209057856.db2.gz SUDIQHQXWRVSGJ-HZPDHXFCSA-N 2 1 353.511 0.522 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+](C)C1 ZINC000413141851 533477346 /nfs/dbraw/zinc/47/73/46/533477346.db2.gz QBJMWKSKLFTEIP-HNNXBMFYSA-N 2 1 352.479 0.607 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+](C)C1 ZINC000413503983 533477804 /nfs/dbraw/zinc/47/78/04/533477804.db2.gz SWMMLGICRMCGIG-HNNXBMFYSA-N 2 1 352.479 0.607 20 0 FCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410474980 230092988 /nfs/dbraw/zinc/09/29/88/230092988.db2.gz LZXMEWPLIOUXSV-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410474980 230092992 /nfs/dbraw/zinc/09/29/92/230092992.db2.gz LZXMEWPLIOUXSV-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410730459 230220827 /nfs/dbraw/zinc/22/08/27/230220827.db2.gz BTNJRHWALGRQBN-RDJZCZTQSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410732513 230223544 /nfs/dbraw/zinc/22/35/44/230223544.db2.gz LKOGJQSXEGPQFP-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410732265 230225502 /nfs/dbraw/zinc/22/55/02/230225502.db2.gz KERJKIJCKDNWPN-OAHLLOKOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410732265 230225508 /nfs/dbraw/zinc/22/55/08/230225508.db2.gz KERJKIJCKDNWPN-OAHLLOKOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000410732265 230225511 /nfs/dbraw/zinc/22/55/11/230225511.db2.gz KERJKIJCKDNWPN-OAHLLOKOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410738298 230228787 /nfs/dbraw/zinc/22/87/87/230228787.db2.gz WEVNAXFWOGJQKK-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410996749 230342033 /nfs/dbraw/zinc/34/20/33/230342033.db2.gz MEYYBGFBSRLEGO-SFHVURJKSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000933475573 674258775 /nfs/dbraw/zinc/25/87/75/674258775.db2.gz INNZNZOJAXBDMB-HNNXBMFYSA-N 2 1 350.467 0.372 20 0 FCADMP C[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000363673638 488871830 /nfs/dbraw/zinc/87/18/30/488871830.db2.gz RTSRQTKXMSPBIO-KSZLIROESA-N 2 1 366.550 0.970 20 0 FCADMP C[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000363673638 488871831 /nfs/dbraw/zinc/87/18/31/488871831.db2.gz RTSRQTKXMSPBIO-KSZLIROESA-N 2 1 366.550 0.970 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000627827059 484099623 /nfs/dbraw/zinc/09/96/23/484099623.db2.gz PIJXQMSPWSJLRU-AWEZNQCLSA-N 2 1 350.467 0.231 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000562793810 491189419 /nfs/dbraw/zinc/18/94/19/491189419.db2.gz FARPGXRZWKUMJV-PKOBYXMFSA-N 2 1 374.533 0.400 20 0 FCADMP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363833068 488890664 /nfs/dbraw/zinc/89/06/64/488890664.db2.gz WXGUEOMVACJCDB-BPQIPLTHSA-N 2 1 368.522 0.990 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000287756894 488902603 /nfs/dbraw/zinc/90/26/03/488902603.db2.gz LWDIGDNDWXUALC-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324842579 488907746 /nfs/dbraw/zinc/90/77/46/488907746.db2.gz CMPAORRIPLLCKI-ZFWWWQNUSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324842579 488907749 /nfs/dbraw/zinc/90/77/49/488907749.db2.gz CMPAORRIPLLCKI-ZFWWWQNUSA-N 2 1 353.488 0.938 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000364215133 488936936 /nfs/dbraw/zinc/93/69/36/488936936.db2.gz NKMJRAZMKFIWKJ-PXNSSMCTSA-N 2 1 356.470 0.941 20 0 FCADMP CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)OC ZINC000051957272 488152604 /nfs/dbraw/zinc/15/26/04/488152604.db2.gz NSHYITYLZZPCPE-CRAIPNDOSA-N 2 1 369.506 0.735 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609290 488353159 /nfs/dbraw/zinc/35/31/59/488353159.db2.gz JJGRFPCVLZJVNK-ROUUACIJSA-N 2 1 370.538 0.735 20 0 FCADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NC1C[NH2+]C1 ZINC000562828929 491194186 /nfs/dbraw/zinc/19/41/86/491194186.db2.gz TYBRWENUYUBUPI-HNNXBMFYSA-N 2 1 350.850 0.681 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073564261 488385003 /nfs/dbraw/zinc/38/50/03/488385003.db2.gz XLYZOHVSHZQDGO-LJQANCHMSA-N 2 1 359.518 0.561 20 0 FCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182952418 488390536 /nfs/dbraw/zinc/39/05/36/488390536.db2.gz IVHDZFWVKDKHNJ-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000074850438 488393848 /nfs/dbraw/zinc/39/38/48/488393848.db2.gz FATFHGOCVXRVBY-KRWDZBQOSA-N 2 1 365.522 0.524 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000074850438 488393850 /nfs/dbraw/zinc/39/38/50/488393850.db2.gz FATFHGOCVXRVBY-KRWDZBQOSA-N 2 1 365.522 0.524 20 0 FCADMP C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682528 488402228 /nfs/dbraw/zinc/40/22/28/488402228.db2.gz VBSIAQJDIYCZME-CABCVRRESA-N 2 1 369.535 0.941 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185735839 488402513 /nfs/dbraw/zinc/40/25/13/488402513.db2.gz WCWNXMMXVRCNQD-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000554336683 491195851 /nfs/dbraw/zinc/19/58/51/491195851.db2.gz IJWPVQUBDCQYTB-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186498651 488406771 /nfs/dbraw/zinc/40/67/71/488406771.db2.gz KPOPLYLNAKAPBU-OALUTQOASA-N 2 1 361.486 0.503 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000186777898 488407652 /nfs/dbraw/zinc/40/76/52/488407652.db2.gz HPYYWJRTATUWAQ-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[N@H+](C)C2CC2)CC1=O ZINC000186777898 488407654 /nfs/dbraw/zinc/40/76/54/488407654.db2.gz HPYYWJRTATUWAQ-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CC2)CC1=O ZINC000186777898 488407655 /nfs/dbraw/zinc/40/76/55/488407655.db2.gz HPYYWJRTATUWAQ-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000554342752 491196923 /nfs/dbraw/zinc/19/69/23/491196923.db2.gz DHRXFXLXBOXPDW-DOTOQJQBSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000191548118 488420164 /nfs/dbraw/zinc/42/01/64/488420164.db2.gz HOSCQHUVMDRYQQ-UHFFFAOYSA-N 2 1 360.568 0.758 20 0 FCADMP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192779583 488423744 /nfs/dbraw/zinc/42/37/44/488423744.db2.gz HIJUQYOTNUNRMU-QGZVFWFLSA-N 2 1 361.552 0.538 20 0 FCADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192779583 488423745 /nfs/dbraw/zinc/42/37/45/488423745.db2.gz HIJUQYOTNUNRMU-QGZVFWFLSA-N 2 1 361.552 0.538 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@@H](C)C1 ZINC000192814349 488424881 /nfs/dbraw/zinc/42/48/81/488424881.db2.gz AYMOGGHGGZDHCB-DLBZAZTESA-N 2 1 364.490 0.311 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000193329594 488426813 /nfs/dbraw/zinc/42/68/13/488426813.db2.gz XILCRHNGCASVCD-UHFFFAOYSA-N 2 1 361.490 0.712 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000079168066 488428553 /nfs/dbraw/zinc/42/85/53/488428553.db2.gz DTNHXXMAELIJBA-UHFFFAOYSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000194476529 488432715 /nfs/dbraw/zinc/43/27/15/488432715.db2.gz VRUOBOWCEIDJBO-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000268697747 488443091 /nfs/dbraw/zinc/44/30/91/488443091.db2.gz UIVUYCIIYJWZQY-UHFFFAOYSA-N 2 1 374.485 0.922 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000268697747 488443093 /nfs/dbraw/zinc/44/30/93/488443093.db2.gz UIVUYCIIYJWZQY-UHFFFAOYSA-N 2 1 374.485 0.922 20 0 FCADMP CNC(=O)N1CC[NH+](CCCCC[NH+]2CCN(C(=O)NC)CC2)CC1 ZINC000084711772 488450416 /nfs/dbraw/zinc/45/04/16/488450416.db2.gz GNIWXGJJBUWLTE-UHFFFAOYSA-N 2 1 354.499 0.071 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085391326 488451357 /nfs/dbraw/zinc/45/13/57/488451357.db2.gz WAEASMFXSNQIEZ-RDJZCZTQSA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085391326 488451359 /nfs/dbraw/zinc/45/13/59/488451359.db2.gz WAEASMFXSNQIEZ-RDJZCZTQSA-N 2 1 367.538 0.959 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237018493 488454334 /nfs/dbraw/zinc/45/43/34/488454334.db2.gz JACOWGALOKZFIU-QAETUUGQSA-N 2 1 350.507 0.966 20 0 FCADMP NC(=O)CC[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245890105 488466358 /nfs/dbraw/zinc/46/63/58/488466358.db2.gz CDJFMNFSEVNUHL-HOTGVXAUSA-N 2 1 368.522 0.302 20 0 FCADMP NC(=O)CC[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245890105 488466361 /nfs/dbraw/zinc/46/63/61/488466361.db2.gz CDJFMNFSEVNUHL-HOTGVXAUSA-N 2 1 368.522 0.302 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000246262192 488471119 /nfs/dbraw/zinc/47/11/19/488471119.db2.gz LCJUVKZBWAGKFH-WOJBJXKFSA-N 2 1 374.529 0.982 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092924216 488477530 /nfs/dbraw/zinc/47/75/30/488477530.db2.gz YEWDALCPPKESDN-ZDUSSCGKSA-N 2 1 356.434 0.163 20 0 FCADMP C[N@H+](CCCO)C1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000093412876 488479177 /nfs/dbraw/zinc/47/91/77/488479177.db2.gz QQTMLKUCHAVJOR-UHFFFAOYSA-N 2 1 362.522 0.507 20 0 FCADMP C[N@@H+](CCCO)C1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000093412876 488479180 /nfs/dbraw/zinc/47/91/80/488479180.db2.gz QQTMLKUCHAVJOR-UHFFFAOYSA-N 2 1 362.522 0.507 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000269263482 488484026 /nfs/dbraw/zinc/48/40/26/488484026.db2.gz XKSZORJSNXESFA-IAGOWNOFSA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000269263482 488484029 /nfs/dbraw/zinc/48/40/29/488484029.db2.gz XKSZORJSNXESFA-IAGOWNOFSA-N 2 1 360.458 0.843 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272744 488484921 /nfs/dbraw/zinc/48/49/21/488484921.db2.gz UFMWRIKTTNZNAE-MAUKXSAKSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272744 488484924 /nfs/dbraw/zinc/48/49/24/488484924.db2.gz UFMWRIKTTNZNAE-MAUKXSAKSA-N 2 1 363.458 0.773 20 0 FCADMP Cc1cc(N2CC[C@@H]([N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)n(C)n1 ZINC000247498892 488486234 /nfs/dbraw/zinc/48/62/34/488486234.db2.gz LNGVENHOMPSEAW-DOTOQJQBSA-N 2 1 363.506 0.858 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000247598286 488488212 /nfs/dbraw/zinc/48/82/12/488488212.db2.gz KPBZGWXXHCLBOX-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000247570860 488488512 /nfs/dbraw/zinc/48/85/12/488488512.db2.gz WPEZTCKPBYJUKC-RRFJBIMHSA-N 2 1 361.552 0.976 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000098034432 488494019 /nfs/dbraw/zinc/49/40/19/488494019.db2.gz KXNSFQFLRBPLHD-OWCLPIDISA-N 2 1 367.538 0.862 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000098034432 488494020 /nfs/dbraw/zinc/49/40/20/488494020.db2.gz KXNSFQFLRBPLHD-OWCLPIDISA-N 2 1 367.538 0.862 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000248564033 488498331 /nfs/dbraw/zinc/49/83/31/488498331.db2.gz HPYYWJRTATUWAQ-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC2)CC1=O ZINC000248564033 488498333 /nfs/dbraw/zinc/49/83/33/488498333.db2.gz HPYYWJRTATUWAQ-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC2)CC1=O ZINC000248564033 488498335 /nfs/dbraw/zinc/49/83/35/488498335.db2.gz HPYYWJRTATUWAQ-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000248657433 488500436 /nfs/dbraw/zinc/50/04/36/488500436.db2.gz ALEUNSAFMJFGGH-JKSUJKDBSA-N 2 1 369.535 0.776 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103313476 488500716 /nfs/dbraw/zinc/50/07/16/488500716.db2.gz SZFPVCJWCZZURX-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249010293 488505083 /nfs/dbraw/zinc/50/50/83/488505083.db2.gz OMUDJVHOPSQGQH-DLBZAZTESA-N 2 1 356.511 0.368 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779732 488505808 /nfs/dbraw/zinc/50/58/08/488505808.db2.gz XCWHCLDLCPMMAP-CQSZACIVSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000249132370 488506913 /nfs/dbraw/zinc/50/69/13/488506913.db2.gz SWFBVBRQHULRBM-PMPSAXMXSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000249132370 488506915 /nfs/dbraw/zinc/50/69/15/488506915.db2.gz SWFBVBRQHULRBM-PMPSAXMXSA-N 2 1 356.511 0.582 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249770306 488514563 /nfs/dbraw/zinc/51/45/63/488514563.db2.gz KXNSFQFLRBPLHD-XHSDSOJGSA-N 2 1 367.538 0.862 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249770306 488514567 /nfs/dbraw/zinc/51/45/67/488514567.db2.gz KXNSFQFLRBPLHD-XHSDSOJGSA-N 2 1 367.538 0.862 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108555002 488519446 /nfs/dbraw/zinc/51/94/46/488519446.db2.gz LLJFMEYQWLERMP-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108555002 488519447 /nfs/dbraw/zinc/51/94/47/488519447.db2.gz LLJFMEYQWLERMP-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000261699934 488531689 /nfs/dbraw/zinc/53/16/89/488531689.db2.gz OOYHFJIADFQBBJ-GFCCVEGCSA-N 2 1 363.849 0.635 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112747710 488536120 /nfs/dbraw/zinc/53/61/20/488536120.db2.gz YQVXXNOAJQDXMC-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261819590 488537044 /nfs/dbraw/zinc/53/70/44/488537044.db2.gz XUGPUQDJMDIJHI-OGHNNQOOSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261819590 488537047 /nfs/dbraw/zinc/53/70/47/488537047.db2.gz XUGPUQDJMDIJHI-OGHNNQOOSA-N 2 1 368.503 0.570 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261847324 488537965 /nfs/dbraw/zinc/53/79/65/488537965.db2.gz MARVDZWSBZVUBB-KBPBESRZSA-N 2 1 367.494 0.191 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261847324 488537968 /nfs/dbraw/zinc/53/79/68/488537968.db2.gz MARVDZWSBZVUBB-KBPBESRZSA-N 2 1 367.494 0.191 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843860 488538203 /nfs/dbraw/zinc/53/82/03/488538203.db2.gz PSYLXRPZWHSTMW-GDBMZVCRSA-N 2 1 369.307 0.985 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261899234 488540527 /nfs/dbraw/zinc/54/05/27/488540527.db2.gz WIQPGOMXEZEAGN-IRXDYDNUSA-N 2 1 360.458 0.829 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261899234 488540529 /nfs/dbraw/zinc/54/05/29/488540529.db2.gz WIQPGOMXEZEAGN-IRXDYDNUSA-N 2 1 360.458 0.829 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916528 488541430 /nfs/dbraw/zinc/54/14/30/488541430.db2.gz UNOBSQHLCLXBCP-DLBZAZTESA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916528 488541433 /nfs/dbraw/zinc/54/14/33/488541433.db2.gz UNOBSQHLCLXBCP-DLBZAZTESA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916529 488541760 /nfs/dbraw/zinc/54/17/60/488541760.db2.gz UNOBSQHLCLXBCP-IAGOWNOFSA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916529 488541763 /nfs/dbraw/zinc/54/17/63/488541763.db2.gz UNOBSQHLCLXBCP-IAGOWNOFSA-N 2 1 359.474 0.278 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000261921381 488541942 /nfs/dbraw/zinc/54/19/42/488541942.db2.gz XPHVTHLGGTUICJ-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)NC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000261961821 488543613 /nfs/dbraw/zinc/54/36/13/488543613.db2.gz ARAJVLZKGJLZQG-UHFFFAOYSA-N 2 1 351.495 0.468 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003320 488545599 /nfs/dbraw/zinc/54/55/99/488545599.db2.gz DSAMZIKSTCULCX-HDICACEKSA-N 3 1 351.539 0.299 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003320 488545601 /nfs/dbraw/zinc/54/56/01/488545601.db2.gz DSAMZIKSTCULCX-HDICACEKSA-N 2 1 351.539 0.299 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003320 488545603 /nfs/dbraw/zinc/54/56/03/488545603.db2.gz DSAMZIKSTCULCX-HDICACEKSA-N 2 1 351.539 0.299 20 0 FCADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000116397242 488547573 /nfs/dbraw/zinc/54/75/73/488547573.db2.gz WPEZTCKPBYJUKC-KKUMJFAQSA-N 2 1 361.552 0.976 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114164 488551373 /nfs/dbraw/zinc/55/13/73/488551373.db2.gz BFFIGBQUXZBWBV-GDBMZVCRSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114164 488551375 /nfs/dbraw/zinc/55/13/75/488551375.db2.gz BFFIGBQUXZBWBV-GDBMZVCRSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114174 488551554 /nfs/dbraw/zinc/55/15/54/488551554.db2.gz BFFIGBQUXZBWBV-ZBFHGGJFSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114174 488551556 /nfs/dbraw/zinc/55/15/56/488551556.db2.gz BFFIGBQUXZBWBV-ZBFHGGJFSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1)N1CC[NH2+]CC1 ZINC000262233792 488558782 /nfs/dbraw/zinc/55/87/82/488558782.db2.gz VREGIKXIZACXIW-UHFFFAOYSA-N 2 1 362.449 0.334 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000262283574 488561426 /nfs/dbraw/zinc/56/14/26/488561426.db2.gz UYOIGSBUWVQLJC-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP COC[C@H](N)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000262330082 488564220 /nfs/dbraw/zinc/56/42/20/488564220.db2.gz RMVBASUXAUBOKD-AWEZNQCLSA-N 2 1 367.446 0.330 20 0 FCADMP C[NH2+][C@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000262350397 488565437 /nfs/dbraw/zinc/56/54/37/488565437.db2.gz IYEXKAYYBNSANM-KRWDZBQOSA-N 2 1 372.473 0.288 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000121277723 488565453 /nfs/dbraw/zinc/56/54/53/488565453.db2.gz YRYNPOJVYWITGI-INIZCTEOSA-N 2 1 367.538 0.816 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000121277723 488565455 /nfs/dbraw/zinc/56/54/55/488565455.db2.gz YRYNPOJVYWITGI-INIZCTEOSA-N 2 1 367.538 0.816 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262453071 488570778 /nfs/dbraw/zinc/57/07/78/488570778.db2.gz WFCRQYZAFPLTFH-HZPDHXFCSA-N 2 1 360.458 0.701 20 0 FCADMP C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000122053609 488574467 /nfs/dbraw/zinc/57/44/67/488574467.db2.gz ILKQEOSCERURCD-MAUKXSAKSA-N 2 1 357.458 0.990 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCC(=O)N1CCOCC1 ZINC000122985627 488582291 /nfs/dbraw/zinc/58/22/91/488582291.db2.gz HNOLNUWOPBXFJS-UHFFFAOYSA-N 2 1 354.495 0.110 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOCC1 ZINC000122985627 488582292 /nfs/dbraw/zinc/58/22/92/488582292.db2.gz HNOLNUWOPBXFJS-UHFFFAOYSA-N 2 1 354.495 0.110 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C[C@@H](C[NH3+])OC ZINC000262848666 488596585 /nfs/dbraw/zinc/59/65/85/488596585.db2.gz JTKMCEIVCRQGGC-AWEZNQCLSA-N 2 1 364.446 0.385 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272726672 488601143 /nfs/dbraw/zinc/60/11/43/488601143.db2.gz YVQVCCQDHSABEK-UHFFFAOYSA-N 2 1 350.463 0.816 20 0 FCADMP C[C@H](C[S@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126339919 488608467 /nfs/dbraw/zinc/60/84/67/488608467.db2.gz BRVWVXNRJJEHAY-OYLFLEFRSA-N 2 1 352.504 0.819 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000563064942 491212187 /nfs/dbraw/zinc/21/21/87/491212187.db2.gz QRNURMWHRVYRRP-SFHVURJKSA-N 2 1 374.485 0.393 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000273048793 488628148 /nfs/dbraw/zinc/62/81/48/488628148.db2.gz FCACQOZZPCGJPR-HXUWFJFHSA-N 2 1 374.529 0.897 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000273048793 488628150 /nfs/dbraw/zinc/62/81/50/488628150.db2.gz FCACQOZZPCGJPR-HXUWFJFHSA-N 2 1 374.529 0.897 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000273048793 488628151 /nfs/dbraw/zinc/62/81/51/488628151.db2.gz FCACQOZZPCGJPR-HXUWFJFHSA-N 2 1 374.529 0.897 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563077658 491213292 /nfs/dbraw/zinc/21/32/92/491213292.db2.gz NFCPHUOPTBOSJA-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+](C)CCCn2ccnc2)c(=O)[nH]c1=O ZINC000130398120 488637263 /nfs/dbraw/zinc/63/72/63/488637263.db2.gz MPTLKAKLXATBKF-UHFFFAOYSA-N 2 1 362.434 0.176 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)CCCn2ccnc2)c(=O)[nH]c1=O ZINC000130398120 488637264 /nfs/dbraw/zinc/63/72/64/488637264.db2.gz MPTLKAKLXATBKF-UHFFFAOYSA-N 2 1 362.434 0.176 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000130644013 488639204 /nfs/dbraw/zinc/63/92/04/488639204.db2.gz UNRFBIXZPLPRIP-UHFFFAOYSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000570093164 491215905 /nfs/dbraw/zinc/21/59/05/491215905.db2.gz JZBRQJLHFSLMDF-DZGCQCFKSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000570093164 491215909 /nfs/dbraw/zinc/21/59/09/491215909.db2.gz JZBRQJLHFSLMDF-DZGCQCFKSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000134163186 488664900 /nfs/dbraw/zinc/66/49/00/488664900.db2.gz UNDSLSAZJQZSNY-CQSZACIVSA-N 2 1 350.467 0.231 20 0 FCADMP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000137063249 488679833 /nfs/dbraw/zinc/67/98/33/488679833.db2.gz XCWFICMWSQODGK-INIZCTEOSA-N 2 1 363.506 0.635 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccsc1 ZINC000264538429 488683154 /nfs/dbraw/zinc/68/31/54/488683154.db2.gz AHDPHQKKNSAYRW-GJZGRUSLSA-N 2 1 367.519 0.990 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000140193289 488686039 /nfs/dbraw/zinc/68/60/39/488686039.db2.gz CSTHVIDHBCCLCX-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000140193289 488686043 /nfs/dbraw/zinc/68/60/43/488686043.db2.gz CSTHVIDHBCCLCX-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000140193289 488686045 /nfs/dbraw/zinc/68/60/45/488686045.db2.gz CSTHVIDHBCCLCX-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000152622953 488720472 /nfs/dbraw/zinc/72/04/72/488720472.db2.gz HUXQJMKMPUJHKB-AWEZNQCLSA-N 2 1 362.478 0.516 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000153248536 488729177 /nfs/dbraw/zinc/72/91/77/488729177.db2.gz JWYRWGIOPSLEGU-HNNXBMFYSA-N 2 1 364.494 0.620 20 0 FCADMP COc1cc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000266816964 488733415 /nfs/dbraw/zinc/73/34/15/488733415.db2.gz IWWUJYQRFOSJPN-KRWDZBQOSA-N 2 1 351.447 0.582 20 0 FCADMP COc1cc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000266816964 488733417 /nfs/dbraw/zinc/73/34/17/488733417.db2.gz IWWUJYQRFOSJPN-KRWDZBQOSA-N 2 1 351.447 0.582 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000153929467 488736512 /nfs/dbraw/zinc/73/65/12/488736512.db2.gz GXFQQMNZLGGZMV-HDICACEKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137105 488762628 /nfs/dbraw/zinc/76/26/28/488762628.db2.gz WKYHCTRHVDKVPZ-BRWVUGGUSA-N 2 1 360.506 0.834 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000267319877 488777539 /nfs/dbraw/zinc/77/75/39/488777539.db2.gz NAUFUWBATFJDSZ-INIZCTEOSA-N 2 1 361.490 0.357 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC1 ZINC000563152074 491222154 /nfs/dbraw/zinc/22/21/54/491222154.db2.gz GYTROXHHFZVNKX-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000563152074 491222157 /nfs/dbraw/zinc/22/21/57/491222157.db2.gz GYTROXHHFZVNKX-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000563152074 491222159 /nfs/dbraw/zinc/22/21/59/491222159.db2.gz GYTROXHHFZVNKX-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC([NH+](C)CCO)CC2)C[C@H](C)O1 ZINC000161581723 488797760 /nfs/dbraw/zinc/79/77/60/488797760.db2.gz XFPSAEBOZUCPCZ-IYBDPMFKSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC([NH+](C)CCO)CC2)C[C@H](C)O1 ZINC000161581723 488797761 /nfs/dbraw/zinc/79/77/61/488797761.db2.gz XFPSAEBOZUCPCZ-IYBDPMFKSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC([N@H+](C)CCO)CC2)C[C@H](C)O1 ZINC000161581723 488797763 /nfs/dbraw/zinc/79/77/63/488797763.db2.gz XFPSAEBOZUCPCZ-IYBDPMFKSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC([N@@H+](C)CCO)CC2)C[C@H](C)O1 ZINC000161581723 488797765 /nfs/dbraw/zinc/79/77/65/488797765.db2.gz XFPSAEBOZUCPCZ-IYBDPMFKSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000563132086 491218909 /nfs/dbraw/zinc/21/89/09/491218909.db2.gz PTGBIEPLTKZLLK-GJZGRUSLSA-N 2 1 362.474 0.742 20 0 FCADMP COC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000166982675 488812085 /nfs/dbraw/zinc/81/20/85/488812085.db2.gz PHJVCMLLCAMFDU-UHFFFAOYSA-N 2 1 374.485 0.216 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000167819022 488812536 /nfs/dbraw/zinc/81/25/36/488812536.db2.gz JOJRGOADINJHSJ-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000168401542 488812813 /nfs/dbraw/zinc/81/28/13/488812813.db2.gz ZNIXXTFAWMRRAQ-INIZCTEOSA-N 2 1 362.499 0.791 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570189004 491223142 /nfs/dbraw/zinc/22/31/42/491223142.db2.gz VZWCQQOZUXRUSJ-ZBFHGGJFSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570189004 491223146 /nfs/dbraw/zinc/22/31/46/491223146.db2.gz VZWCQQOZUXRUSJ-ZBFHGGJFSA-N 2 1 362.474 0.246 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000173398845 488842588 /nfs/dbraw/zinc/84/25/88/488842588.db2.gz QICMSEXQQDUFNG-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000173818225 488845694 /nfs/dbraw/zinc/84/56/94/488845694.db2.gz SMPHHKZKKDJRTO-MRXNPFEDSA-N 2 1 353.511 0.524 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000173818225 488845695 /nfs/dbraw/zinc/84/56/95/488845695.db2.gz SMPHHKZKKDJRTO-MRXNPFEDSA-N 2 1 353.511 0.524 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174156744 488847650 /nfs/dbraw/zinc/84/76/50/488847650.db2.gz MTRCHRHXJWDNLW-INIZCTEOSA-N 2 1 351.495 0.278 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174156730 488847664 /nfs/dbraw/zinc/84/76/64/488847664.db2.gz MTRCHRHXJWDNLW-MRXNPFEDSA-N 2 1 351.495 0.278 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000174292361 488848525 /nfs/dbraw/zinc/84/85/25/488848525.db2.gz NUABXLTUTJFOMJ-MSOLQXFVSA-N 2 1 351.539 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000182104170 488864027 /nfs/dbraw/zinc/86/40/27/488864027.db2.gz NFYPFBYUQYPCGO-INIZCTEOSA-N 2 1 368.522 0.545 20 0 FCADMP COC(=O)CC[N@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000182104170 488864028 /nfs/dbraw/zinc/86/40/28/488864028.db2.gz NFYPFBYUQYPCGO-INIZCTEOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)CN1C ZINC000329202005 488980296 /nfs/dbraw/zinc/98/02/96/488980296.db2.gz WUTRQFPJQCHZDL-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809466 491226854 /nfs/dbraw/zinc/22/68/54/491226854.db2.gz RJNPZWWIKFRIJC-WMLDXEAASA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000280369941 489001999 /nfs/dbraw/zinc/00/19/99/489001999.db2.gz GWIORCISUMTTLI-UHFFFAOYSA-N 2 1 374.489 0.857 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000280369941 489002002 /nfs/dbraw/zinc/00/20/02/489002002.db2.gz GWIORCISUMTTLI-UHFFFAOYSA-N 2 1 374.489 0.857 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3COc4ccccc4[C@H]3O)cn2)CC1 ZINC000288666805 489002943 /nfs/dbraw/zinc/00/29/43/489002943.db2.gz WDHHQMNNDUHPPY-SJLPKXTDSA-N 2 1 355.442 0.813 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509100 489011107 /nfs/dbraw/zinc/01/11/07/489011107.db2.gz JONJWUMCOHVJPL-IRXDYDNUSA-N 2 1 360.506 0.930 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280828701 489033983 /nfs/dbraw/zinc/03/39/83/489033983.db2.gz VSUJYWCIOKEBOC-SYNHAJSKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000280828701 489033985 /nfs/dbraw/zinc/03/39/85/489033985.db2.gz VSUJYWCIOKEBOC-SYNHAJSKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000280828701 489033986 /nfs/dbraw/zinc/03/39/86/489033986.db2.gz VSUJYWCIOKEBOC-SYNHAJSKSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329771196 489034357 /nfs/dbraw/zinc/03/43/57/489034357.db2.gz JPHACQIQNBEXFF-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H](C)N1CCOCC1 ZINC000365327475 489064475 /nfs/dbraw/zinc/06/44/75/489064475.db2.gz OUEAZKVJEKXLGQ-BZSNNMDCSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570308800 491232678 /nfs/dbraw/zinc/23/26/78/491232678.db2.gz DFFHKUPSISHTOD-UONOGXRCSA-N 2 1 363.437 0.842 20 0 FCADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000290021034 489109067 /nfs/dbraw/zinc/10/90/67/489109067.db2.gz CIHVCFPXZZQVTF-SJORKVTESA-N 2 1 360.506 0.739 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000290033474 489109765 /nfs/dbraw/zinc/10/97/65/489109765.db2.gz UGCRQTIEWPRFMO-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000290033474 489109767 /nfs/dbraw/zinc/10/97/67/489109767.db2.gz UGCRQTIEWPRFMO-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000290092697 489113327 /nfs/dbraw/zinc/11/33/27/489113327.db2.gz JQHCDIIIQWWXEF-UHFFFAOYSA-N 2 1 362.478 0.198 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290415905 489138145 /nfs/dbraw/zinc/13/81/45/489138145.db2.gz JJSADDJFZSOVGC-HOTGVXAUSA-N 2 1 359.474 0.625 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000563303948 491235927 /nfs/dbraw/zinc/23/59/27/491235927.db2.gz YTGFFVIOFQWJDM-UHFFFAOYSA-N 2 1 354.495 0.143 20 0 FCADMP C[N@@H+](C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778486 489164920 /nfs/dbraw/zinc/16/49/20/489164920.db2.gz MOPBBKYUYLAGPN-XLIONFOSSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778486 489164922 /nfs/dbraw/zinc/16/49/22/489164922.db2.gz MOPBBKYUYLAGPN-XLIONFOSSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778486 489164924 /nfs/dbraw/zinc/16/49/24/489164924.db2.gz MOPBBKYUYLAGPN-XLIONFOSSA-N 2 1 372.469 0.638 20 0 FCADMP COc1ccc(C[N@H+](CCO)CCC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000283069037 489212664 /nfs/dbraw/zinc/21/26/64/489212664.db2.gz JZOXCXDBGWMHIR-UHFFFAOYSA-N 2 1 365.474 0.662 20 0 FCADMP COc1ccc(C[N@@H+](CCO)CCC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000283069037 489212667 /nfs/dbraw/zinc/21/26/67/489212667.db2.gz JZOXCXDBGWMHIR-UHFFFAOYSA-N 2 1 365.474 0.662 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000332782724 489229797 /nfs/dbraw/zinc/22/97/97/489229797.db2.gz ZJUMZUKYPNCOID-NJAFHUGGSA-N 2 1 352.523 0.506 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000332899656 489244330 /nfs/dbraw/zinc/24/43/30/489244330.db2.gz UCZUWHGWAJCVIJ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000332899656 489244336 /nfs/dbraw/zinc/24/43/36/489244336.db2.gz UCZUWHGWAJCVIJ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333639480 489262903 /nfs/dbraw/zinc/26/29/03/489262903.db2.gz HWKVOZRLXSMPOJ-ARFHVFGLSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988891 489264826 /nfs/dbraw/zinc/26/48/26/489264826.db2.gz INFPUQZZYLZDJM-WBVHZDCISA-N 2 1 366.506 0.650 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988891 489264828 /nfs/dbraw/zinc/26/48/28/489264828.db2.gz INFPUQZZYLZDJM-WBVHZDCISA-N 2 1 366.506 0.650 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CCC(=O)N3)CC2)CC1 ZINC000563407919 491242700 /nfs/dbraw/zinc/24/27/00/491242700.db2.gz PXJKTVFNBHDUBG-IBGZPJMESA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738430 489269266 /nfs/dbraw/zinc/26/92/66/489269266.db2.gz XVWYCBDPMJJMLO-SZMVWBNQSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738430 489269270 /nfs/dbraw/zinc/26/92/70/489269270.db2.gz XVWYCBDPMJJMLO-SZMVWBNQSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738430 489269272 /nfs/dbraw/zinc/26/92/72/489269272.db2.gz XVWYCBDPMJJMLO-SZMVWBNQSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532031 489271413 /nfs/dbraw/zinc/27/14/13/489271413.db2.gz RGGBWKKGWGXVGG-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818966 489279327 /nfs/dbraw/zinc/27/93/27/489279327.db2.gz KNAZXOZNRXVOPL-XWTMOSNGSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818966 489279329 /nfs/dbraw/zinc/27/93/29/489279329.db2.gz KNAZXOZNRXVOPL-XWTMOSNGSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818966 489279330 /nfs/dbraw/zinc/27/93/30/489279330.db2.gz KNAZXOZNRXVOPL-XWTMOSNGSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818966 489279332 /nfs/dbraw/zinc/27/93/32/489279332.db2.gz KNAZXOZNRXVOPL-XWTMOSNGSA-N 2 1 368.522 0.990 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370128118 489318407 /nfs/dbraw/zinc/31/84/07/489318407.db2.gz DINANQPESAKQIV-YESZJQIVSA-N 2 1 352.479 0.213 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000286000960 489344423 /nfs/dbraw/zinc/34/44/23/489344423.db2.gz UEDJMOVLDNCJPJ-YJBOKZPZSA-N 2 1 369.469 0.944 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000286000960 489344426 /nfs/dbraw/zinc/34/44/26/489344426.db2.gz UEDJMOVLDNCJPJ-YJBOKZPZSA-N 2 1 369.469 0.944 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000570500886 491244713 /nfs/dbraw/zinc/24/47/13/491244713.db2.gz WGMRRDJLOJECDC-UHFFFAOYSA-N 2 1 359.474 0.254 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000370468564 489363785 /nfs/dbraw/zinc/36/37/85/489363785.db2.gz JKVCGOUDNSCULL-YKTARERQSA-N 2 1 353.507 0.992 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000361729721 489363822 /nfs/dbraw/zinc/36/38/22/489363822.db2.gz UIYZXEUBMUHCCU-RDJZCZTQSA-N 2 1 359.474 0.360 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000361729721 489363824 /nfs/dbraw/zinc/36/38/24/489363824.db2.gz UIYZXEUBMUHCCU-RDJZCZTQSA-N 2 1 359.474 0.360 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000361984355 489370622 /nfs/dbraw/zinc/37/06/22/489370622.db2.gz BHFGSTCFJUPBPF-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000361984355 489370624 /nfs/dbraw/zinc/37/06/24/489370624.db2.gz BHFGSTCFJUPBPF-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1=O ZINC000370559864 489374907 /nfs/dbraw/zinc/37/49/07/489374907.db2.gz ZPTBJRJSFGCJGH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000362822986 489400009 /nfs/dbraw/zinc/40/00/09/489400009.db2.gz NBVAQNPFAMGGLB-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000362930410 489405725 /nfs/dbraw/zinc/40/57/25/489405725.db2.gz DOUYMYMMSJAJTJ-IAGOWNOFSA-N 2 1 360.458 0.666 20 0 FCADMP C[N@@H+](C[C@@H](O)CNCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254081 /nfs/dbraw/zinc/25/40/81/491254081.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254082 /nfs/dbraw/zinc/25/40/82/491254082.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254084 /nfs/dbraw/zinc/25/40/84/491254084.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 2 1 374.529 0.929 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000363108562 489424978 /nfs/dbraw/zinc/42/49/78/489424978.db2.gz TYOBNRINLZYQDT-UHFFFAOYSA-N 2 1 365.522 0.809 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000371019694 489438083 /nfs/dbraw/zinc/43/80/83/489438083.db2.gz QHSSOFYUMZPBNE-QGZVFWFLSA-N 2 1 354.495 0.461 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)N3CCOCC3)CC2)CC1 ZINC000371158667 489458141 /nfs/dbraw/zinc/45/81/41/489458141.db2.gz VSDFWXSDIFYJOX-UHFFFAOYSA-N 2 1 366.550 0.973 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394467 489462228 /nfs/dbraw/zinc/46/22/28/489462228.db2.gz AQJOZIUNCKAYNK-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1=O ZINC000363394467 489462229 /nfs/dbraw/zinc/46/22/29/489462229.db2.gz AQJOZIUNCKAYNK-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1=O ZINC000363394467 489462231 /nfs/dbraw/zinc/46/22/31/489462231.db2.gz AQJOZIUNCKAYNK-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000287150731 489465383 /nfs/dbraw/zinc/46/53/83/489465383.db2.gz YLMHPUCAYVPZQJ-HIFRSBDPSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1C ZINC000287150731 489465386 /nfs/dbraw/zinc/46/53/86/489465386.db2.gz YLMHPUCAYVPZQJ-HIFRSBDPSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000287150731 489465388 /nfs/dbraw/zinc/46/53/88/489465388.db2.gz YLMHPUCAYVPZQJ-HIFRSBDPSA-N 2 1 362.478 0.045 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216264 489470323 /nfs/dbraw/zinc/47/03/23/489470323.db2.gz INXGQADERZJLOQ-UXHICEINSA-N 2 1 372.513 0.736 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216264 489470327 /nfs/dbraw/zinc/47/03/27/489470327.db2.gz INXGQADERZJLOQ-UXHICEINSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216264 489470330 /nfs/dbraw/zinc/47/03/30/489470330.db2.gz INXGQADERZJLOQ-UXHICEINSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216264 489470331 /nfs/dbraw/zinc/47/03/31/489470331.db2.gz INXGQADERZJLOQ-UXHICEINSA-N 2 1 372.513 0.736 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000423111269 489494247 /nfs/dbraw/zinc/49/42/47/489494247.db2.gz IONHIOXXBUOEKX-UHFFFAOYSA-N 2 1 364.515 0.632 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423160773 489498231 /nfs/dbraw/zinc/49/82/31/489498231.db2.gz HVGQMIDMYBMYST-QZTJIDSGSA-N 2 1 373.501 0.702 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000423158619 489498395 /nfs/dbraw/zinc/49/83/95/489498395.db2.gz OJBWODQKTCGOEQ-UHFFFAOYSA-N 2 1 373.501 0.887 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423171163 489499861 /nfs/dbraw/zinc/49/98/61/489499861.db2.gz ZNVIWNFFYCIDDJ-WMZOPIPTSA-N 2 1 373.501 0.715 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000423236173 489506557 /nfs/dbraw/zinc/50/65/57/489506557.db2.gz RRCWZXOCLZSEAF-IBGZPJMESA-N 2 1 372.513 0.961 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000555616239 491259792 /nfs/dbraw/zinc/25/97/92/491259792.db2.gz POVCVPYIENMCRZ-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000555616239 491259793 /nfs/dbraw/zinc/25/97/93/491259793.db2.gz POVCVPYIENMCRZ-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@H]1C[NH3+] ZINC000423289547 489512181 /nfs/dbraw/zinc/51/21/81/489512181.db2.gz XNFHOJDATHEYCT-GDBMZVCRSA-N 2 1 361.490 0.645 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000415413626 489518084 /nfs/dbraw/zinc/51/80/84/489518084.db2.gz IUUCRYZHIGUYFX-GJZGRUSLSA-N 2 1 362.474 0.990 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371911509 489525240 /nfs/dbraw/zinc/52/52/40/489525240.db2.gz MTTKHYJMGZNPPL-KURKYZTESA-N 2 1 367.538 0.375 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000415571793 489532010 /nfs/dbraw/zinc/53/20/10/489532010.db2.gz UHNARBFOAXLHLY-QWHCGFSZSA-N 2 1 361.446 0.334 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425878032 489538172 /nfs/dbraw/zinc/53/81/72/489538172.db2.gz XYOCWUMMGYRNFN-OAHLLOKOSA-N 2 1 356.511 0.402 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000425879182 489538759 /nfs/dbraw/zinc/53/87/59/489538759.db2.gz DWEHZVIGOUMIIT-HNNXBMFYSA-N 2 1 370.538 0.648 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000425891791 489542772 /nfs/dbraw/zinc/54/27/72/489542772.db2.gz UNXRFCMQLMHNRU-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005280 489567424 /nfs/dbraw/zinc/56/74/24/489567424.db2.gz JMHZBSYIXHFZHN-QWHCGFSZSA-N 2 1 353.433 0.839 20 0 FCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000372399406 489581198 /nfs/dbraw/zinc/58/11/98/489581198.db2.gz JROVQLXQORRPPN-SFHVURJKSA-N 2 1 358.486 0.005 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000372458767 489586181 /nfs/dbraw/zinc/58/61/81/489586181.db2.gz UOLZATXLJFOASV-LJQANCHMSA-N 2 1 366.550 0.973 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000372458767 489586184 /nfs/dbraw/zinc/58/61/84/489586184.db2.gz UOLZATXLJFOASV-LJQANCHMSA-N 2 1 366.550 0.973 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372458767 489586189 /nfs/dbraw/zinc/58/61/89/489586189.db2.gz UOLZATXLJFOASV-LJQANCHMSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000427298217 489601568 /nfs/dbraw/zinc/60/15/68/489601568.db2.gz AJHZICJXQCPMAK-UKRRQHHQSA-N 2 1 362.478 0.687 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000427487724 489611142 /nfs/dbraw/zinc/61/11/42/489611142.db2.gz NGTWWGQYQSAJAY-SJORKVTESA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000427487724 489611143 /nfs/dbraw/zinc/61/11/43/489611143.db2.gz NGTWWGQYQSAJAY-SJORKVTESA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691959 489622602 /nfs/dbraw/zinc/62/26/02/489622602.db2.gz DQQCINIHYRHVFG-AJNQNCSDSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691959 489622605 /nfs/dbraw/zinc/62/26/05/489622605.db2.gz DQQCINIHYRHVFG-AJNQNCSDSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691959 489622607 /nfs/dbraw/zinc/62/26/07/489622607.db2.gz DQQCINIHYRHVFG-AJNQNCSDSA-N 2 1 364.534 0.689 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000416824296 489630631 /nfs/dbraw/zinc/63/06/31/489630631.db2.gz ZNDIWZNATNEIIF-CABCVRRESA-N 2 1 365.478 0.911 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000416824541 489630748 /nfs/dbraw/zinc/63/07/48/489630748.db2.gz ZNDIWZNATNEIIF-GJZGRUSLSA-N 2 1 365.478 0.911 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416925781 489633929 /nfs/dbraw/zinc/63/39/29/489633929.db2.gz SXZAJRZVCZMVIG-IYBDPMFKSA-N 2 1 355.527 0.469 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416925781 489633932 /nfs/dbraw/zinc/63/39/32/489633932.db2.gz SXZAJRZVCZMVIG-IYBDPMFKSA-N 2 1 355.527 0.469 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000416941736 489634991 /nfs/dbraw/zinc/63/49/91/489634991.db2.gz CHZUYBMZTJRVLZ-HOTGVXAUSA-N 2 1 361.494 0.428 20 0 FCADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000416999229 489638183 /nfs/dbraw/zinc/63/81/83/489638183.db2.gz QMFZLLFHXIHZGH-KRWDZBQOSA-N 2 1 361.490 0.712 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045230 489639704 /nfs/dbraw/zinc/63/97/04/489639704.db2.gz QROQJFFVLQCXPZ-SFHVURJKSA-N 2 1 374.533 0.402 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417051137 489639817 /nfs/dbraw/zinc/63/98/17/489639817.db2.gz MTKQGCRQYSJVTH-DLBZAZTESA-N 2 1 365.522 0.664 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417051675 489639881 /nfs/dbraw/zinc/63/98/81/489639881.db2.gz ONQVVAPPDXQQTR-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417054317 489640002 /nfs/dbraw/zinc/64/00/02/489640002.db2.gz UNEKHEMZCBJDSY-SFHVURJKSA-N 2 1 353.511 0.666 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372853412 489644205 /nfs/dbraw/zinc/64/42/05/489644205.db2.gz CGRFAKPBDAEWBP-HXUWFJFHSA-N 2 1 372.513 0.649 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236365 489645399 /nfs/dbraw/zinc/64/53/99/489645399.db2.gz FIJQYPATORBJPZ-ZIAGYGMSSA-N 2 1 365.444 0.854 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730872 491268363 /nfs/dbraw/zinc/26/83/63/491268363.db2.gz MDXDYWKBBTUFPX-DOTOQJQBSA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000555730872 491268365 /nfs/dbraw/zinc/26/83/65/491268365.db2.gz MDXDYWKBBTUFPX-DOTOQJQBSA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000555730872 491268367 /nfs/dbraw/zinc/26/83/67/491268367.db2.gz MDXDYWKBBTUFPX-DOTOQJQBSA-N 2 1 366.506 0.226 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242116 489645667 /nfs/dbraw/zinc/64/56/67/489645667.db2.gz SYCXIXJSOMIJHP-HOTGVXAUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417360756 489649345 /nfs/dbraw/zinc/64/93/45/489649345.db2.gz BJODAFCNMFCROT-IAGOWNOFSA-N 2 1 360.506 0.972 20 0 FCADMP [NH3+]CC1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000417366758 489649514 /nfs/dbraw/zinc/64/95/14/489649514.db2.gz KZNBRUNMSIXNLS-UHFFFAOYSA-N 2 1 360.506 0.974 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417419659 489652067 /nfs/dbraw/zinc/65/20/67/489652067.db2.gz DGKXPMWGAYTAPA-HZPDHXFCSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000417429827 489652865 /nfs/dbraw/zinc/65/28/65/489652865.db2.gz NXPJUURGAXYHJL-HRCADAONSA-N 2 1 353.511 0.616 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417428140 489652940 /nfs/dbraw/zinc/65/29/40/489652940.db2.gz KFBUEXNQMOXLCF-CVEARBPZSA-N 2 1 353.511 0.761 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417434205 489653637 /nfs/dbraw/zinc/65/36/37/489653637.db2.gz WUUXBAXYLXUTNN-ULQDDVLXSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000555731196 491269112 /nfs/dbraw/zinc/26/91/12/491269112.db2.gz PWFNHYCUNNAPRV-IAGOWNOFSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000555731196 491269113 /nfs/dbraw/zinc/26/91/13/491269113.db2.gz PWFNHYCUNNAPRV-IAGOWNOFSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000555731196 491269115 /nfs/dbraw/zinc/26/91/15/491269115.db2.gz PWFNHYCUNNAPRV-IAGOWNOFSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000555731196 491269118 /nfs/dbraw/zinc/26/91/18/491269118.db2.gz PWFNHYCUNNAPRV-IAGOWNOFSA-N 2 1 368.522 0.258 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000417497469 489656130 /nfs/dbraw/zinc/65/61/30/489656130.db2.gz BBTGARGSKRGLBL-ROUUACIJSA-N 2 1 364.490 0.984 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428613198 489656861 /nfs/dbraw/zinc/65/68/61/489656861.db2.gz TXLCKLZPVROAAB-RHSMWYFYSA-N 2 1 360.458 0.365 20 0 FCADMP C[NH2+]CCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417534632 489657442 /nfs/dbraw/zinc/65/74/42/489657442.db2.gz AGUZZWQUUBVFCB-KRWDZBQOSA-N 2 1 361.490 0.793 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3CCC[NH2+]3)c2)C1 ZINC000417544384 489657842 /nfs/dbraw/zinc/65/78/42/489657842.db2.gz HMINVMVVRBUTGK-QZTJIDSGSA-N 2 1 373.501 0.935 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)c2)C1 ZINC000417550568 489658094 /nfs/dbraw/zinc/65/80/94/489658094.db2.gz VSRBCOGUMCFPLP-MSOLQXFVSA-N 2 1 373.501 0.920 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000417548592 489658253 /nfs/dbraw/zinc/65/82/53/489658253.db2.gz QZMQPMOUGSOVFT-ZWKOTPCHSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417550129 489658372 /nfs/dbraw/zinc/65/83/72/489658372.db2.gz UNPLRQUQRXMRHF-WMLDXEAASA-N 2 1 361.490 0.778 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000417550105 489658408 /nfs/dbraw/zinc/65/84/08/489658408.db2.gz UMBJUYFTRJICJT-IRXDYDNUSA-N 2 1 359.474 0.545 20 0 FCADMP CC(C)([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417549564 489658441 /nfs/dbraw/zinc/65/84/41/489658441.db2.gz TYKZFUDCDSTPEL-MRXNPFEDSA-N 2 1 361.490 0.920 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417551432 489658518 /nfs/dbraw/zinc/65/85/18/489658518.db2.gz ZQMUOHUWQOGILL-WMLDXEAASA-N 2 1 361.490 0.920 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417616766 489659458 /nfs/dbraw/zinc/65/94/58/489659458.db2.gz ZGXPLVULOILRLN-LBPRGKRZSA-N 2 1 369.457 0.171 20 0 FCADMP COc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1OCC[NH+](C)C ZINC000417681356 489660744 /nfs/dbraw/zinc/66/07/44/489660744.db2.gz JQJPDQXONWWZIY-SFHVURJKSA-N 2 1 366.462 0.824 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000417669986 489661258 /nfs/dbraw/zinc/66/12/58/489661258.db2.gz AQCLASQUJZEHNT-CVEARBPZSA-N 2 1 367.538 0.959 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762682 489663749 /nfs/dbraw/zinc/66/37/49/489663749.db2.gz XVLUFGQCJYFKMY-INIZCTEOSA-N 2 1 351.495 0.500 20 0 FCADMP Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000373148813 489673976 /nfs/dbraw/zinc/67/39/76/489673976.db2.gz ZVKXFAKKKUBXBK-INIZCTEOSA-N 2 1 359.474 0.955 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418080743 489678109 /nfs/dbraw/zinc/67/81/09/489678109.db2.gz STKXJWGFIKLZMK-MRXNPFEDSA-N 2 1 352.504 0.567 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418080743 489678111 /nfs/dbraw/zinc/67/81/11/489678111.db2.gz STKXJWGFIKLZMK-MRXNPFEDSA-N 2 1 352.504 0.567 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408409 489681022 /nfs/dbraw/zinc/68/10/22/489681022.db2.gz DKCOGEXCZKMPMX-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408409 489681026 /nfs/dbraw/zinc/68/10/26/489681026.db2.gz DKCOGEXCZKMPMX-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408409 489681028 /nfs/dbraw/zinc/68/10/28/489681028.db2.gz DKCOGEXCZKMPMX-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418183432 489683807 /nfs/dbraw/zinc/68/38/07/489683807.db2.gz PGVIJSWDHUDGJB-VIYLOZMYSA-N 2 1 353.511 0.743 20 0 FCADMP O=C(NCCCCC[NH+]1CCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418209908 489684784 /nfs/dbraw/zinc/68/47/84/489684784.db2.gz CELJQPJSJHQNIB-QGZVFWFLSA-N 2 1 365.522 0.858 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418301614 489689824 /nfs/dbraw/zinc/68/98/24/489689824.db2.gz RWNJZXUFXRVBQV-UHFFFAOYSA-N 2 1 369.554 0.672 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709378 489696974 /nfs/dbraw/zinc/69/69/74/489696974.db2.gz CSLVSFRGSVGOHX-SJORKVTESA-N 2 1 356.511 0.633 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418483392 489702098 /nfs/dbraw/zinc/70/20/98/489702098.db2.gz CDDCJSZXIWYGKP-ZWKOTPCHSA-N 2 1 364.490 0.405 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391893 489705374 /nfs/dbraw/zinc/70/53/74/489705374.db2.gz WTRNFGAFSLGLRX-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391893 489705378 /nfs/dbraw/zinc/70/53/78/489705378.db2.gz WTRNFGAFSLGLRX-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469391893 489705385 /nfs/dbraw/zinc/70/53/85/489705385.db2.gz WTRNFGAFSLGLRX-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469391893 489705387 /nfs/dbraw/zinc/70/53/87/489705387.db2.gz WTRNFGAFSLGLRX-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418543864 489706228 /nfs/dbraw/zinc/70/62/28/489706228.db2.gz TXLYWZJMZYMQAT-GJZGRUSLSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418543864 489706231 /nfs/dbraw/zinc/70/62/31/489706231.db2.gz TXLYWZJMZYMQAT-GJZGRUSLSA-N 2 1 356.417 0.763 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418562245 489707083 /nfs/dbraw/zinc/70/70/83/489707083.db2.gz QTISSHVYWRPKOO-MSOLQXFVSA-N 2 1 364.490 0.754 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000418565586 489708166 /nfs/dbraw/zinc/70/81/66/489708166.db2.gz VNTIAMPXUWEETF-LNLFQRSKSA-N 2 1 362.474 0.507 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418590021 489709035 /nfs/dbraw/zinc/70/90/35/489709035.db2.gz BCZYCDYGUCEQRQ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418590021 489709039 /nfs/dbraw/zinc/70/90/39/489709039.db2.gz BCZYCDYGUCEQRQ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609332 489709502 /nfs/dbraw/zinc/70/95/02/489709502.db2.gz FHGSIMYPZJSFKB-HZSPNIEDSA-N 2 1 365.444 0.804 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611503 489710460 /nfs/dbraw/zinc/71/04/60/489710460.db2.gz HQJCIHWLNMBQKE-ZIAGYGMSSA-N 2 1 365.444 0.948 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418756089 489723109 /nfs/dbraw/zinc/72/31/09/489723109.db2.gz COFVMWJAOWZSLN-SQNIBIBYSA-N 2 1 362.474 0.157 20 0 FCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000471056160 489729255 /nfs/dbraw/zinc/72/92/55/489729255.db2.gz IZNJBLNHPGASQT-IBGZPJMESA-N 2 1 362.474 0.650 20 0 FCADMP COC[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000489841387 489730734 /nfs/dbraw/zinc/73/07/34/489730734.db2.gz RPPGXGYQYOSQMF-IBGZPJMESA-N 2 1 363.502 0.954 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418816058 489735121 /nfs/dbraw/zinc/73/51/21/489735121.db2.gz LLGVQQXUEXJLGV-HNNXBMFYSA-N 2 1 357.458 0.931 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418816468 489736604 /nfs/dbraw/zinc/73/66/04/489736604.db2.gz LTDDTBSFOIAIFM-OAHLLOKOSA-N 2 1 361.490 0.936 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418819180 489737465 /nfs/dbraw/zinc/73/74/65/489737465.db2.gz ODIZFWDGWPEVMS-OXQOHEQNSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822087 489739141 /nfs/dbraw/zinc/73/91/41/489739141.db2.gz ABDAFFPNWSXRFW-INIZCTEOSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822204 489739526 /nfs/dbraw/zinc/73/95/26/489739526.db2.gz ARYJBFUCGYRLBN-HOTGVXAUSA-N 2 1 366.506 0.333 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000418826269 489741099 /nfs/dbraw/zinc/74/10/99/489741099.db2.gz BCIOXFISLZPOPZ-ZFWWWQNUSA-N 2 1 350.463 0.386 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000418828203 489742442 /nfs/dbraw/zinc/74/24/42/489742442.db2.gz CTWWMODIYDTXLY-MRXNPFEDSA-N 2 1 362.474 0.611 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418834414 489745354 /nfs/dbraw/zinc/74/53/54/489745354.db2.gz OJJOLRFHYTXRBV-INIZCTEOSA-N 2 1 366.506 0.254 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570371 489747227 /nfs/dbraw/zinc/74/72/27/489747227.db2.gz GKSXBAVEAGEVNX-HUUCEWRRSA-N 2 1 362.540 0.222 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570371 489747232 /nfs/dbraw/zinc/74/72/32/489747232.db2.gz GKSXBAVEAGEVNX-HUUCEWRRSA-N 2 1 362.540 0.222 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000418837293 489747921 /nfs/dbraw/zinc/74/79/21/489747921.db2.gz AHZKMYLQQOFTOI-BPQIPLTHSA-N 2 1 358.486 0.820 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418838136 489748786 /nfs/dbraw/zinc/74/87/86/489748786.db2.gz BQRVPRFTFWTJLS-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000430593796 489749548 /nfs/dbraw/zinc/74/95/48/489749548.db2.gz JGQUTYMXHNORQL-OLZOCXBDSA-N 2 1 370.519 0.816 20 0 FCADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000430593796 489749552 /nfs/dbraw/zinc/74/95/52/489749552.db2.gz JGQUTYMXHNORQL-OLZOCXBDSA-N 2 1 370.519 0.816 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459713737 489749680 /nfs/dbraw/zinc/74/96/80/489749680.db2.gz UQZFXXKYSXYHRW-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459713737 489749686 /nfs/dbraw/zinc/74/96/86/489749686.db2.gz UQZFXXKYSXYHRW-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459713737 489749689 /nfs/dbraw/zinc/74/96/89/489749689.db2.gz UQZFXXKYSXYHRW-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459713737 489749692 /nfs/dbraw/zinc/74/96/92/489749692.db2.gz UQZFXXKYSXYHRW-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459713740 489750130 /nfs/dbraw/zinc/75/01/30/489750130.db2.gz UQZFXXKYSXYHRW-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459713740 489750136 /nfs/dbraw/zinc/75/01/36/489750136.db2.gz UQZFXXKYSXYHRW-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459713740 489750139 /nfs/dbraw/zinc/75/01/39/489750139.db2.gz UQZFXXKYSXYHRW-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459713740 489750143 /nfs/dbraw/zinc/75/01/43/489750143.db2.gz UQZFXXKYSXYHRW-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430605937 489751553 /nfs/dbraw/zinc/75/15/53/489751553.db2.gz TWYSFAQDISJFMR-MELADBBJSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430605937 489751557 /nfs/dbraw/zinc/75/15/57/489751557.db2.gz TWYSFAQDISJFMR-MELADBBJSA-N 2 1 368.503 0.570 20 0 FCADMP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608520 489752385 /nfs/dbraw/zinc/75/23/85/489752385.db2.gz FSKFMFRFNSVPIR-WMZOPIPTSA-N 2 1 360.502 0.829 20 0 FCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613390 489753284 /nfs/dbraw/zinc/75/32/84/489753284.db2.gz WGPHWRHEXHPBHC-ZACQAIPSSA-N 2 1 368.522 0.485 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613242 489753599 /nfs/dbraw/zinc/75/35/99/489753599.db2.gz UUJGIILNMIMCFB-HLLBOEOZSA-N 2 1 374.485 0.802 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000418846968 489754122 /nfs/dbraw/zinc/75/41/22/489754122.db2.gz ZLCGORARMUHWKS-INIZCTEOSA-N 2 1 360.458 0.959 20 0 FCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430617103 489755074 /nfs/dbraw/zinc/75/50/74/489755074.db2.gz KADRPVNBVQGMJL-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430617103 489755077 /nfs/dbraw/zinc/75/50/77/489755077.db2.gz KADRPVNBVQGMJL-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618210 489755284 /nfs/dbraw/zinc/75/52/84/489755284.db2.gz RWDRFAAHMNHXAD-DOTOQJQBSA-N 2 1 362.518 0.920 20 0 FCADMP O=C([C@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621363 489755901 /nfs/dbraw/zinc/75/59/01/489755901.db2.gz JCWKZNLQVUDMAU-INIZCTEOSA-N 2 1 369.473 0.349 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000418850797 489756666 /nfs/dbraw/zinc/75/66/66/489756666.db2.gz OOIKWKHZIIVJJW-KBMXLJTQSA-N 2 1 362.474 0.658 20 0 FCADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631180 489758628 /nfs/dbraw/zinc/75/86/28/489758628.db2.gz UFRAWGKODSBVLF-GOSISDBHSA-N 2 1 358.486 0.755 20 0 FCADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635458 489758712 /nfs/dbraw/zinc/75/87/12/489758712.db2.gz HANDCIVYHYSPLE-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633296 489759085 /nfs/dbraw/zinc/75/90/85/489759085.db2.gz ZQSWMUYSYFWUPH-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637934 489760415 /nfs/dbraw/zinc/76/04/15/489760415.db2.gz DSAQJUUVOFEZFD-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637934 489760418 /nfs/dbraw/zinc/76/04/18/489760418.db2.gz DSAQJUUVOFEZFD-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418863226 489763978 /nfs/dbraw/zinc/76/39/78/489763978.db2.gz PCJMFUXRKIFFFR-NCXUSEDFSA-N 2 1 370.497 0.881 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000555859981 491277406 /nfs/dbraw/zinc/27/74/06/491277406.db2.gz WZKNBCGVWVDWPN-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000563917494 491277541 /nfs/dbraw/zinc/27/75/41/491277541.db2.gz XRQDYKUFUXTHCU-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000563917494 491277542 /nfs/dbraw/zinc/27/75/42/491277542.db2.gz XRQDYKUFUXTHCU-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000418874528 489769851 /nfs/dbraw/zinc/76/98/51/489769851.db2.gz ZYVWTTYIAWOXNA-HZPDHXFCSA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000376661891 489771706 /nfs/dbraw/zinc/77/17/06/489771706.db2.gz YGVGSBHYTFTAFY-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376661891 489771708 /nfs/dbraw/zinc/77/17/08/489771708.db2.gz YGVGSBHYTFTAFY-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376661891 489771712 /nfs/dbraw/zinc/77/17/12/489771712.db2.gz YGVGSBHYTFTAFY-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000459862996 489772850 /nfs/dbraw/zinc/77/28/50/489772850.db2.gz IVZVFKGXSPGXAJ-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418883351 489774032 /nfs/dbraw/zinc/77/40/32/489774032.db2.gz UZSHUKHEUVYPOY-ROUUACIJSA-N 2 1 374.485 0.080 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430877348 489774446 /nfs/dbraw/zinc/77/44/46/489774446.db2.gz XADZRICQWUIWBU-RDJZCZTQSA-N 2 1 362.474 0.754 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430877348 489774450 /nfs/dbraw/zinc/77/44/50/489774450.db2.gz XADZRICQWUIWBU-RDJZCZTQSA-N 2 1 362.474 0.754 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C[NH3+] ZINC000418885240 489774567 /nfs/dbraw/zinc/77/45/67/489774567.db2.gz YGJMYFGWTVGNRG-XHSDSOJGSA-N 2 1 354.495 0.189 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cn2)CC1 ZINC000430861101 489774845 /nfs/dbraw/zinc/77/48/45/489774845.db2.gz AIRHZLLVFAXHLR-XIRDDKMYSA-N 2 1 374.489 0.516 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000430916772 489777376 /nfs/dbraw/zinc/77/73/76/489777376.db2.gz BHIOPNUUAAFBTO-UHFFFAOYSA-N 2 1 362.474 0.990 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000490640958 489777829 /nfs/dbraw/zinc/77/78/29/489777829.db2.gz OBMPFDKYWTUUSW-JKSUJKDBSA-N 2 1 356.511 0.584 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000430956670 489781676 /nfs/dbraw/zinc/78/16/76/489781676.db2.gz LUPYKGRQNUWIBS-UHFFFAOYSA-N 2 1 368.503 0.821 20 0 FCADMP CCCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083323 489787683 /nfs/dbraw/zinc/78/76/83/489787683.db2.gz LMKIQPGESRORFX-SFHVURJKSA-N 2 1 354.539 0.923 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000418911850 489788175 /nfs/dbraw/zinc/78/81/75/489788175.db2.gz CBDWGSFZKSFYQB-ARFHVFGLSA-N 2 1 354.495 0.045 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000418916032 489789535 /nfs/dbraw/zinc/78/95/35/489789535.db2.gz RAKKGTHFWYNIGR-QGZVFWFLSA-N 2 1 360.458 0.085 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000459916762 489790756 /nfs/dbraw/zinc/79/07/56/489790756.db2.gz INMCPATVOBNOMV-LJQANCHMSA-N 2 1 366.506 0.111 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000459916979 489790925 /nfs/dbraw/zinc/79/09/25/489790925.db2.gz GBIBKHTWIDFFCP-UHFFFAOYSA-N 2 1 361.490 0.755 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000459916979 489790933 /nfs/dbraw/zinc/79/09/33/489790933.db2.gz GBIBKHTWIDFFCP-UHFFFAOYSA-N 2 1 361.490 0.755 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000418922828 489792390 /nfs/dbraw/zinc/79/23/90/489792390.db2.gz NCYZXLJHKVSBJR-XHSDSOJGSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418924831 489793520 /nfs/dbraw/zinc/79/35/20/489793520.db2.gz PNTCEYAOSYSXQK-HOTGVXAUSA-N 2 1 354.495 0.093 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000418936040 489795883 /nfs/dbraw/zinc/79/58/83/489795883.db2.gz BECSEQNJZOJAOM-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000555888467 491279342 /nfs/dbraw/zinc/27/93/42/491279342.db2.gz SFNSRDJWIPPIBX-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431279404 489798772 /nfs/dbraw/zinc/79/87/72/489798772.db2.gz FNPYQKAQNDKZTH-UHFFFAOYSA-N 2 1 350.467 0.483 20 0 FCADMP O=C(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431298674 489800244 /nfs/dbraw/zinc/80/02/44/489800244.db2.gz VAOOLPHEISDUFL-INIZCTEOSA-N 2 1 365.522 0.762 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459994352 489812285 /nfs/dbraw/zinc/81/22/85/489812285.db2.gz UWBQLBOIHNJNJK-UHFFFAOYSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459994352 489812291 /nfs/dbraw/zinc/81/22/91/489812291.db2.gz UWBQLBOIHNJNJK-UHFFFAOYSA-N 2 1 367.538 0.025 20 0 FCADMP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000419001966 489814194 /nfs/dbraw/zinc/81/41/94/489814194.db2.gz BMLUZNIFHDWSMF-UHFFFAOYSA-N 2 1 356.417 0.855 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000419004305 489815284 /nfs/dbraw/zinc/81/52/84/489815284.db2.gz QYCDZCMSDOXJFA-FQEVSTJZSA-N 2 1 358.486 0.837 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023857 489821393 /nfs/dbraw/zinc/82/13/93/489821393.db2.gz KASPDQOFQNPGTE-HOTGVXAUSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419027720 489823287 /nfs/dbraw/zinc/82/32/87/489823287.db2.gz PGKBZZAVOKJRFH-FZKCQIBNSA-N 2 1 352.523 0.973 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419026392 489823661 /nfs/dbraw/zinc/82/36/61/489823661.db2.gz NLXQBKUDZGPJPL-XHSDSOJGSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000419035719 489828652 /nfs/dbraw/zinc/82/86/52/489828652.db2.gz ZLKHFBBYHKDNON-HXUWFJFHSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419057960 489838086 /nfs/dbraw/zinc/83/80/86/489838086.db2.gz AZJDNLRFPPEPMJ-LJISPDSOSA-N 2 1 354.495 0.234 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419057960 489838092 /nfs/dbraw/zinc/83/80/92/489838092.db2.gz AZJDNLRFPPEPMJ-LJISPDSOSA-N 2 1 354.495 0.234 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419057927 489838484 /nfs/dbraw/zinc/83/84/84/489838484.db2.gz ASEKFUIUYRCKNC-LVQVYYBASA-N 2 1 368.522 0.719 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000419060176 489839285 /nfs/dbraw/zinc/83/92/85/489839285.db2.gz DUXOHKFNFJKDMS-HESLUPGFSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C[C@H]1[NH+](C)C ZINC000460064969 489839660 /nfs/dbraw/zinc/83/96/60/489839660.db2.gz XLKCQZRYIZSZLA-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000460065946 489839923 /nfs/dbraw/zinc/83/99/23/489839923.db2.gz RPQMNUDFAWQMSL-XHSDSOJGSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000460065946 489839928 /nfs/dbraw/zinc/83/99/28/489839928.db2.gz RPQMNUDFAWQMSL-XHSDSOJGSA-N 2 1 368.522 0.089 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000460072825 489842384 /nfs/dbraw/zinc/84/23/84/489842384.db2.gz ZXAVWHPQWGEWOH-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@H+]1C ZINC000460072825 489842386 /nfs/dbraw/zinc/84/23/86/489842386.db2.gz ZXAVWHPQWGEWOH-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000460081674 489847706 /nfs/dbraw/zinc/84/77/06/489847706.db2.gz MHYMAJASNBCGLZ-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000460081674 489847711 /nfs/dbraw/zinc/84/77/11/489847711.db2.gz MHYMAJASNBCGLZ-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000460081674 489847715 /nfs/dbraw/zinc/84/77/15/489847715.db2.gz MHYMAJASNBCGLZ-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000460084553 489848577 /nfs/dbraw/zinc/84/85/77/489848577.db2.gz VETTTXNSPXFJJF-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419087294 489851410 /nfs/dbraw/zinc/85/14/10/489851410.db2.gz PFAHMJPKGFGZCL-KFWWJZLASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419086958 489851596 /nfs/dbraw/zinc/85/15/96/489851596.db2.gz OUXQPCLNIFCNKV-FZKCQIBNSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419086958 489851601 /nfs/dbraw/zinc/85/16/01/489851601.db2.gz OUXQPCLNIFCNKV-FZKCQIBNSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000419091215 489852341 /nfs/dbraw/zinc/85/23/41/489852341.db2.gz VYIZWPUEYFQORM-FMKPAKJESA-N 2 1 368.522 0.624 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419092439 489853244 /nfs/dbraw/zinc/85/32/44/489853244.db2.gz XJHWUBNUALHIOT-OKILXGFUSA-N 2 1 356.511 0.624 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419092439 489853248 /nfs/dbraw/zinc/85/32/48/489853248.db2.gz XJHWUBNUALHIOT-OKILXGFUSA-N 2 1 356.511 0.624 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419099489 489855310 /nfs/dbraw/zinc/85/53/10/489855310.db2.gz DUXCCGXVTRWJJC-DLBZAZTESA-N 2 1 358.486 0.881 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000555923141 491283605 /nfs/dbraw/zinc/28/36/05/491283605.db2.gz ZCEOUNZTUXEFHJ-SJORKVTESA-N 2 1 369.554 0.221 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419112499 489859701 /nfs/dbraw/zinc/85/97/01/489859701.db2.gz FYIJIVMIBPRSLW-LPHOPBHVSA-N 2 1 368.522 0.437 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419115427 489861599 /nfs/dbraw/zinc/86/15/99/489861599.db2.gz JNSQGIYGSUMOCQ-JKSUJKDBSA-N 2 1 354.495 0.093 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419120589 489865066 /nfs/dbraw/zinc/86/50/66/489865066.db2.gz QTOTUOWBOXGUCL-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CN3CCCCC3=O)CC2)CC1 ZINC000377201059 489867184 /nfs/dbraw/zinc/86/71/84/489867184.db2.gz FDJLNTBLCDIATO-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000377219551 489869380 /nfs/dbraw/zinc/86/93/80/489869380.db2.gz CZORYRJVZHSXMX-MQVJKMGUSA-N 2 1 351.495 0.417 20 0 FCADMP CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000377219551 489869382 /nfs/dbraw/zinc/86/93/82/489869382.db2.gz CZORYRJVZHSXMX-MQVJKMGUSA-N 2 1 351.495 0.417 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166969 489869952 /nfs/dbraw/zinc/86/99/52/489869952.db2.gz YYMBTXXRYDSTGT-KRWDZBQOSA-N 3 1 353.555 0.580 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000433333331 489876812 /nfs/dbraw/zinc/87/68/12/489876812.db2.gz GFPBCKCRVYCUHB-INIZCTEOSA-N 2 1 356.511 0.491 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000420003603 489878418 /nfs/dbraw/zinc/87/84/18/489878418.db2.gz TVFFUURMZFUZRK-MRXNPFEDSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000420012507 489880274 /nfs/dbraw/zinc/88/02/74/489880274.db2.gz JLPKREKUANNHOC-OAHLLOKOSA-N 2 1 354.454 0.947 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420013191 489880969 /nfs/dbraw/zinc/88/09/69/489880969.db2.gz IYMOQFVNPROSAE-HZPDHXFCSA-N 2 1 361.490 0.835 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1COCCN1CC1CCC1 ZINC000377313879 489883568 /nfs/dbraw/zinc/88/35/68/489883568.db2.gz AATXGABELNXJKD-FUHWJXTLSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433451477 489885463 /nfs/dbraw/zinc/88/54/63/489885463.db2.gz CAQLYIFDMBDPRY-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433451477 489885468 /nfs/dbraw/zinc/88/54/68/489885468.db2.gz CAQLYIFDMBDPRY-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433451477 489885471 /nfs/dbraw/zinc/88/54/71/489885471.db2.gz CAQLYIFDMBDPRY-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433516125 489889873 /nfs/dbraw/zinc/88/98/73/489889873.db2.gz NEPVIWXUNRNIFO-HNNXBMFYSA-N 2 1 352.483 1.067 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C[C@H]1C ZINC000420047033 489892844 /nfs/dbraw/zinc/89/28/44/489892844.db2.gz VWHQYEQZHBQIIZ-KBXIAJHMSA-N 2 1 354.495 0.547 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420053094 489895029 /nfs/dbraw/zinc/89/50/29/489895029.db2.gz GDYPRPVQKYDBDG-TZMCWYRMSA-N 2 1 351.451 0.269 20 0 FCADMP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420060791 489897925 /nfs/dbraw/zinc/89/79/25/489897925.db2.gz KUJYZFSTJCSRKU-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420064469 489900499 /nfs/dbraw/zinc/90/04/99/489900499.db2.gz OWMLFCIZTYAYNP-RKVPGOIHSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420064469 489900501 /nfs/dbraw/zinc/90/05/01/489900501.db2.gz OWMLFCIZTYAYNP-RKVPGOIHSA-N 2 1 358.486 0.961 20 0 FCADMP CCC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000433853831 489902892 /nfs/dbraw/zinc/90/28/92/489902892.db2.gz MEGFNTFPPQJBJY-UHFFFAOYSA-N 2 1 360.506 0.979 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000420124955 489920856 /nfs/dbraw/zinc/92/08/56/489920856.db2.gz PIBALSNRUVFNAI-MWDXBVQZSA-N 2 1 368.522 0.720 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420128861 489922474 /nfs/dbraw/zinc/92/24/74/489922474.db2.gz UHOOZGDJWDAJEV-OAHLLOKOSA-N 2 1 355.527 0.105 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420128861 489922477 /nfs/dbraw/zinc/92/24/77/489922477.db2.gz UHOOZGDJWDAJEV-OAHLLOKOSA-N 2 1 355.527 0.105 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576192 489924547 /nfs/dbraw/zinc/92/45/47/489924547.db2.gz AIMIIUIIRBVILA-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000420133963 489924556 /nfs/dbraw/zinc/92/45/56/489924556.db2.gz UCCZYDDNBGRXJV-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000420133963 489924563 /nfs/dbraw/zinc/92/45/63/489924563.db2.gz UCCZYDDNBGRXJV-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000420133007 489924970 /nfs/dbraw/zinc/92/49/70/489924970.db2.gz SXCFBORLKKWULB-SJLPKXTDSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556013101 491288969 /nfs/dbraw/zinc/28/89/69/491288969.db2.gz TWMDLMZPMWGNPE-QGZVFWFLSA-N 2 1 367.453 0.901 20 0 FCADMP O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000556013101 491288971 /nfs/dbraw/zinc/28/89/71/491288971.db2.gz TWMDLMZPMWGNPE-QGZVFWFLSA-N 2 1 367.453 0.901 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000477029244 489933395 /nfs/dbraw/zinc/93/33/95/489933395.db2.gz QYYLITJHDUJRRM-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC000495314773 489935166 /nfs/dbraw/zinc/93/51/66/489935166.db2.gz NZZVMGNTSUDNAW-AWEZNQCLSA-N 2 1 360.449 0.667 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172896 489940032 /nfs/dbraw/zinc/94/00/32/489940032.db2.gz WHNMRMBGGNTYQH-HOTGVXAUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000420201474 489950045 /nfs/dbraw/zinc/95/00/45/489950045.db2.gz FIDLIYWSKBXEGA-BPKGMFCQSA-N 2 1 366.506 0.106 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377734740 489950347 /nfs/dbraw/zinc/95/03/47/489950347.db2.gz OQTUPUZOSLQPCD-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000420203487 489950976 /nfs/dbraw/zinc/95/09/76/489950976.db2.gz OJIHJCUERBSNBS-CABCVRRESA-N 2 1 364.515 0.678 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000462032661 489951826 /nfs/dbraw/zinc/95/18/26/489951826.db2.gz RMMSCOMKZZWYTD-CQSZACIVSA-N 2 1 363.462 0.588 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000462032661 489951827 /nfs/dbraw/zinc/95/18/27/489951827.db2.gz RMMSCOMKZZWYTD-CQSZACIVSA-N 2 1 363.462 0.588 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420206596 489952254 /nfs/dbraw/zinc/95/22/54/489952254.db2.gz WGVVLUIYARNOKE-QGZVFWFLSA-N 2 1 366.506 0.206 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000377802005 489959976 /nfs/dbraw/zinc/95/99/76/489959976.db2.gz DQRYYJFYSFOJKU-XWTMOSNGSA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(=O)OC ZINC000420340115 489964638 /nfs/dbraw/zinc/96/46/38/489964638.db2.gz SPBUPCUPZALICC-YVVXQTMVSA-N 2 1 355.479 0.519 20 0 FCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420365810 489968258 /nfs/dbraw/zinc/96/82/58/489968258.db2.gz LQUYRVVRVIEAPK-WQGACYEGSA-N 2 1 354.476 0.639 20 0 FCADMP COc1ccc(S(=O)(=O)N2CCC[N@H+](CCOCC[NH3+])CC2)cc1 ZINC000420366587 489968896 /nfs/dbraw/zinc/96/88/96/489968896.db2.gz GFMYIZQNIKNEDX-UHFFFAOYSA-N 2 1 357.476 0.367 20 0 FCADMP COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCOCC[NH3+])CC2)cc1 ZINC000420366587 489968897 /nfs/dbraw/zinc/96/88/97/489968897.db2.gz GFMYIZQNIKNEDX-UHFFFAOYSA-N 2 1 357.476 0.367 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCCO[C@H](C[NH3+])C3)CC2)c1 ZINC000420391119 489970712 /nfs/dbraw/zinc/97/07/12/489970712.db2.gz OCBINSWURAORFW-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000420409002 489972664 /nfs/dbraw/zinc/97/26/64/489972664.db2.gz VCPULKJJDTXMCB-ZWKOTPCHSA-N 2 1 360.502 0.849 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000477594064 489975444 /nfs/dbraw/zinc/97/54/44/489975444.db2.gz WIJPBXNARAZTCY-CYBMUJFWSA-N 2 1 357.524 0.776 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000420435593 489975495 /nfs/dbraw/zinc/97/54/95/489975495.db2.gz MTCGMHTXJSNCEL-OAHLLOKOSA-N 2 1 357.524 0.824 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000477594064 489975448 /nfs/dbraw/zinc/97/54/48/489975448.db2.gz WIJPBXNARAZTCY-CYBMUJFWSA-N 2 1 357.524 0.776 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000420435592 489975705 /nfs/dbraw/zinc/97/57/05/489975705.db2.gz MTCGMHTXJSNCEL-HNNXBMFYSA-N 2 1 357.524 0.824 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000477615577 489977298 /nfs/dbraw/zinc/97/72/98/489977298.db2.gz LZSCLTOHWGVAPF-KRWDZBQOSA-N 2 1 366.506 0.347 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477639160 489980145 /nfs/dbraw/zinc/98/01/45/489980145.db2.gz DVWDIJHYJAIKGX-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)C1(C(=O)NCC[N@@H+]2CC=CCC2)CCC1 ZINC000477629473 489980227 /nfs/dbraw/zinc/98/02/27/489980227.db2.gz TWPQQJSNRMHGHF-UHFFFAOYSA-N 2 1 360.502 0.913 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000477726541 489988003 /nfs/dbraw/zinc/98/80/03/489988003.db2.gz YBXOODNLCGVHNC-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003120 489994189 /nfs/dbraw/zinc/99/41/89/489994189.db2.gz LYUKMSMEEGQRPL-CQSZACIVSA-N 3 1 353.511 0.698 20 0 FCADMP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824127 490024602 /nfs/dbraw/zinc/02/46/02/490024602.db2.gz WSTGNLGJJTZVHV-ZBFHGGJFSA-N 2 1 362.474 0.625 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824127 490024606 /nfs/dbraw/zinc/02/46/06/490024606.db2.gz WSTGNLGJJTZVHV-ZBFHGGJFSA-N 2 1 362.474 0.625 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443057333 490065572 /nfs/dbraw/zinc/06/55/72/490065572.db2.gz GHYSOZDHKZKMFV-HNNXBMFYSA-N 2 1 362.540 0.224 20 0 FCADMP COC(=O)C1=C(C)O[C@@H](CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482454 490071320 /nfs/dbraw/zinc/07/13/20/490071320.db2.gz MENMHALUHPJRLV-GDBMZVCRSA-N 2 1 351.447 0.636 20 0 FCADMP COCC1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000479201456 490073309 /nfs/dbraw/zinc/07/33/09/490073309.db2.gz GMMLWYCORWZSIT-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953602 490073759 /nfs/dbraw/zinc/07/37/59/490073759.db2.gz PFGXETMDNCNXFM-IAGOWNOFSA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953602 490073762 /nfs/dbraw/zinc/07/37/62/490073762.db2.gz PFGXETMDNCNXFM-IAGOWNOFSA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953602 490073766 /nfs/dbraw/zinc/07/37/66/490073766.db2.gz PFGXETMDNCNXFM-IAGOWNOFSA-N 2 1 367.538 0.851 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000491059743 490075368 /nfs/dbraw/zinc/07/53/68/490075368.db2.gz LJNWTSUKMUNRGC-UHFFFAOYSA-N 2 1 356.536 0.789 20 0 FCADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000495659977 490086984 /nfs/dbraw/zinc/08/69/84/490086984.db2.gz ZEQUVPFQUNCPIS-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000519814300 490089257 /nfs/dbraw/zinc/08/92/57/490089257.db2.gz PIGPPOJKTFIMCP-MRXNPFEDSA-N 2 1 366.506 0.335 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000571310022 491299411 /nfs/dbraw/zinc/29/94/11/491299411.db2.gz POJLGHJIWVMGDU-HUUCEWRRSA-N 2 1 362.526 0.396 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000545300043 490114478 /nfs/dbraw/zinc/11/44/78/490114478.db2.gz XGJWZSSCOKJNQW-UHFFFAOYSA-N 2 1 363.506 0.422 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000545300043 490114481 /nfs/dbraw/zinc/11/44/81/490114481.db2.gz XGJWZSSCOKJNQW-UHFFFAOYSA-N 2 1 363.506 0.422 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000520216891 490116981 /nfs/dbraw/zinc/11/69/81/490116981.db2.gz TULHLNIUYZLRTA-MSOLQXFVSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000520216891 490116984 /nfs/dbraw/zinc/11/69/84/490116984.db2.gz TULHLNIUYZLRTA-MSOLQXFVSA-N 2 1 358.486 0.569 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000390953733 490139020 /nfs/dbraw/zinc/13/90/20/490139020.db2.gz TYTLOGGJJKWVRF-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556201249 491302569 /nfs/dbraw/zinc/30/25/69/491302569.db2.gz DCWVACVNGUMQJS-PBHICJAKSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556201249 491302571 /nfs/dbraw/zinc/30/25/71/491302571.db2.gz DCWVACVNGUMQJS-PBHICJAKSA-N 2 1 356.536 0.339 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000446023784 490149160 /nfs/dbraw/zinc/14/91/60/490149160.db2.gz JDSACMABOYQNMD-QFBILLFUSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](CO)C1 ZINC000446023784 490149166 /nfs/dbraw/zinc/14/91/66/490149166.db2.gz JDSACMABOYQNMD-QFBILLFUSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000465951606 490156369 /nfs/dbraw/zinc/15/63/69/490156369.db2.gz NUGNOUBKNDEWBF-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548748 490160411 /nfs/dbraw/zinc/16/04/11/490160411.db2.gz OQBMPWGFOFTFRY-OLZOCXBDSA-N 2 1 351.417 0.558 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000422131637 490180929 /nfs/dbraw/zinc/18/09/29/490180929.db2.gz HHCHQSXQHMRLJW-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@H](C)C1 ZINC000497610602 490183273 /nfs/dbraw/zinc/18/32/73/490183273.db2.gz NKBKFNRKNVLKDM-KSZLIROESA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@H](C)C1 ZINC000497610602 490183279 /nfs/dbraw/zinc/18/32/79/490183279.db2.gz NKBKFNRKNVLKDM-KSZLIROESA-N 2 1 370.538 0.831 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000480462848 490194326 /nfs/dbraw/zinc/19/43/26/490194326.db2.gz AREGAAGXVKGSHT-AWEZNQCLSA-N 2 1 355.508 0.577 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000480462848 490194333 /nfs/dbraw/zinc/19/43/33/490194333.db2.gz AREGAAGXVKGSHT-AWEZNQCLSA-N 2 1 355.508 0.577 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603725 490216191 /nfs/dbraw/zinc/21/61/91/490216191.db2.gz APVUMJYAYKPYEQ-HKUYNNGSSA-N 2 1 354.539 0.877 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000571446386 491309015 /nfs/dbraw/zinc/30/90/15/491309015.db2.gz SZDZNLKZZKLTCE-MAZHCROVSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000571446386 491309017 /nfs/dbraw/zinc/30/90/17/491309017.db2.gz SZDZNLKZZKLTCE-MAZHCROVSA-N 2 1 363.458 0.998 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000521263608 490242731 /nfs/dbraw/zinc/24/27/31/490242731.db2.gz JYHGRLXERDMOSE-UHFFFAOYSA-N 2 1 360.458 0.798 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000521263608 490242733 /nfs/dbraw/zinc/24/27/33/490242733.db2.gz JYHGRLXERDMOSE-UHFFFAOYSA-N 2 1 360.458 0.798 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517037 491312540 /nfs/dbraw/zinc/31/25/40/491312540.db2.gz ZQHYGRRHTCXUFV-GDBMZVCRSA-N 2 1 359.478 0.385 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517037 491312542 /nfs/dbraw/zinc/31/25/42/491312542.db2.gz ZQHYGRRHTCXUFV-GDBMZVCRSA-N 2 1 359.478 0.385 20 0 FCADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507836565 490269232 /nfs/dbraw/zinc/26/92/32/490269232.db2.gz GBYUHWBOKSKEPB-LJQANCHMSA-N 2 1 364.534 0.727 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000521515895 490271560 /nfs/dbraw/zinc/27/15/60/490271560.db2.gz KPCKGZSUEPHWHS-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000521515895 490271565 /nfs/dbraw/zinc/27/15/65/490271565.db2.gz KPCKGZSUEPHWHS-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093982 490298176 /nfs/dbraw/zinc/29/81/76/490298176.db2.gz FKDQDUVSDFDLAS-OAHLLOKOSA-N 2 1 350.463 0.884 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000483333301 490308603 /nfs/dbraw/zinc/30/86/03/490308603.db2.gz LLCRLLIFHUMBJI-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)CCSCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000498633372 490320064 /nfs/dbraw/zinc/32/00/64/490320064.db2.gz DFHQSFRFRKLMHJ-HZPDHXFCSA-N 2 1 370.563 0.921 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000522014197 490327302 /nfs/dbraw/zinc/32/73/02/490327302.db2.gz LHYYPXNVKBGSRX-INIZCTEOSA-N 2 1 364.515 0.527 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000522014197 490327306 /nfs/dbraw/zinc/32/73/06/490327306.db2.gz LHYYPXNVKBGSRX-INIZCTEOSA-N 2 1 364.515 0.527 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000483634274 490334567 /nfs/dbraw/zinc/33/45/67/490334567.db2.gz PXQUVSCRRQIUOU-GOSISDBHSA-N 2 1 374.485 0.411 20 0 FCADMP C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000408435781 490336150 /nfs/dbraw/zinc/33/61/50/490336150.db2.gz PNEYMONJPQOCOV-LSDHHAIUSA-N 2 1 367.519 0.547 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@H]1C ZINC000483684734 490337865 /nfs/dbraw/zinc/33/78/65/490337865.db2.gz SUJLIRLOHPHJGP-GDBMZVCRSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@H]1C ZINC000483684734 490337875 /nfs/dbraw/zinc/33/78/75/490337875.db2.gz SUJLIRLOHPHJGP-GDBMZVCRSA-N 2 1 353.511 0.711 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534268572 490339049 /nfs/dbraw/zinc/33/90/49/490339049.db2.gz BWDLIBYBGMWAOO-LJQANCHMSA-N 2 1 357.502 0.315 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534268572 490339058 /nfs/dbraw/zinc/33/90/58/490339058.db2.gz BWDLIBYBGMWAOO-LJQANCHMSA-N 2 1 357.502 0.315 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000483819345 490347275 /nfs/dbraw/zinc/34/72/75/490347275.db2.gz MWSKIMKIQJVDHI-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000522186840 490351646 /nfs/dbraw/zinc/35/16/46/490351646.db2.gz AQDRGXAIDXIQIU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000498857594 490354632 /nfs/dbraw/zinc/35/46/32/490354632.db2.gz RFGSGMUVEFBLRB-SFHVURJKSA-N 2 1 362.518 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000422488599 490355136 /nfs/dbraw/zinc/35/51/36/490355136.db2.gz KLJPAZMQVBZIRT-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000498870129 490359367 /nfs/dbraw/zinc/35/93/67/490359367.db2.gz AXEISHOLQQGTHO-UHFFFAOYSA-N 2 1 366.506 0.060 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC1 ZINC000498870129 490359371 /nfs/dbraw/zinc/35/93/71/490359371.db2.gz AXEISHOLQQGTHO-UHFFFAOYSA-N 2 1 366.506 0.060 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC1 ZINC000498870129 490359376 /nfs/dbraw/zinc/35/93/76/490359376.db2.gz AXEISHOLQQGTHO-UHFFFAOYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422494008 490359626 /nfs/dbraw/zinc/35/96/26/490359626.db2.gz ZINUSWMMFXYSAH-BBWFWOEESA-N 2 1 368.522 0.450 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000498935394 490365782 /nfs/dbraw/zinc/36/57/82/490365782.db2.gz FENYWHBNNXMSBU-QGZVFWFLSA-N 2 1 366.506 0.372 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000498935394 490365787 /nfs/dbraw/zinc/36/57/87/490365787.db2.gz FENYWHBNNXMSBU-QGZVFWFLSA-N 2 1 366.506 0.372 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000498935394 490365791 /nfs/dbraw/zinc/36/57/91/490365791.db2.gz FENYWHBNNXMSBU-QGZVFWFLSA-N 2 1 366.506 0.372 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000522309424 490369968 /nfs/dbraw/zinc/36/99/68/490369968.db2.gz NCUGTBZCLNSMNQ-GOEBONIOSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522309424 490369973 /nfs/dbraw/zinc/36/99/73/490369973.db2.gz NCUGTBZCLNSMNQ-GOEBONIOSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522309424 490369976 /nfs/dbraw/zinc/36/99/76/490369976.db2.gz NCUGTBZCLNSMNQ-GOEBONIOSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410881396 490374261 /nfs/dbraw/zinc/37/42/61/490374261.db2.gz BVAHJMAQKUGSNW-UHFFFAOYSA-N 2 1 363.506 1.000 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000484161863 490391035 /nfs/dbraw/zinc/39/10/35/490391035.db2.gz MWEILJZGJMMXMV-WBVHZDCISA-N 2 1 368.522 0.281 20 0 FCADMP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000571693731 491323768 /nfs/dbraw/zinc/32/37/68/491323768.db2.gz KERLDMSQOJENNW-UHFFFAOYSA-N 2 1 372.513 0.961 20 0 FCADMP C[C@H]1[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000449827026 490430278 /nfs/dbraw/zinc/43/02/78/490430278.db2.gz GXIBRWVQAMIRKY-CWQOZTLDSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@H]1[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000449827026 490430285 /nfs/dbraw/zinc/43/02/85/490430285.db2.gz GXIBRWVQAMIRKY-CWQOZTLDSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@H]1[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000449827026 490430290 /nfs/dbraw/zinc/43/02/90/490430290.db2.gz GXIBRWVQAMIRKY-CWQOZTLDSA-N 2 1 360.502 0.482 20 0 FCADMP CC1[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449820093 490430897 /nfs/dbraw/zinc/43/08/97/490430897.db2.gz UAZDKINKLGCIFI-DTTOXWODSA-N 2 1 360.502 0.574 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)CC1=O ZINC000509636964 490445612 /nfs/dbraw/zinc/44/56/12/490445612.db2.gz VALJLQDTSQNJBB-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1=O ZINC000509636964 490445621 /nfs/dbraw/zinc/44/56/21/490445621.db2.gz VALJLQDTSQNJBB-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1=O ZINC000509636964 490445625 /nfs/dbraw/zinc/44/56/25/490445625.db2.gz VALJLQDTSQNJBB-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523207879 490448591 /nfs/dbraw/zinc/44/85/91/490448591.db2.gz BWJGWVRPRHELEC-QGZVFWFLSA-N 2 1 367.538 0.912 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000564796503 491327053 /nfs/dbraw/zinc/32/70/53/491327053.db2.gz MLPOPRZIRLGVAL-KRWDZBQOSA-N 2 1 356.474 0.921 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210431 490449905 /nfs/dbraw/zinc/44/99/05/490449905.db2.gz ZEQABIPVQIVJFW-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210431 490449910 /nfs/dbraw/zinc/44/99/10/490449910.db2.gz ZEQABIPVQIVJFW-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210431 490449916 /nfs/dbraw/zinc/44/99/16/490449916.db2.gz ZEQABIPVQIVJFW-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000509739907 490459360 /nfs/dbraw/zinc/45/93/60/490459360.db2.gz WTBNCDZUMCDHCY-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000509739907 490459369 /nfs/dbraw/zinc/45/93/69/490459369.db2.gz WTBNCDZUMCDHCY-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000509739907 490459371 /nfs/dbraw/zinc/45/93/71/490459371.db2.gz WTBNCDZUMCDHCY-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428882 490463122 /nfs/dbraw/zinc/46/31/22/490463122.db2.gz ADGXFWYAXHBDPW-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000422720868 490465195 /nfs/dbraw/zinc/46/51/95/490465195.db2.gz UASMZFGFZXANGP-OAHLLOKOSA-N 3 1 354.495 0.062 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746096 490468833 /nfs/dbraw/zinc/46/88/33/490468833.db2.gz VYWIRRLMIOYOSS-CVEARBPZSA-N 3 1 368.522 0.485 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746096 490468841 /nfs/dbraw/zinc/46/88/41/490468841.db2.gz VYWIRRLMIOYOSS-CVEARBPZSA-N 2 1 368.522 0.485 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440303 490485397 /nfs/dbraw/zinc/48/53/97/490485397.db2.gz KEYVGTDBZUAWGA-NQIIRXRSSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440303 490485403 /nfs/dbraw/zinc/48/54/03/490485403.db2.gz KEYVGTDBZUAWGA-NQIIRXRSSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440303 490485408 /nfs/dbraw/zinc/48/54/08/490485408.db2.gz KEYVGTDBZUAWGA-NQIIRXRSSA-N 2 1 374.529 0.766 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000564842441 491330418 /nfs/dbraw/zinc/33/04/18/491330418.db2.gz HIIJGEJXDPBHQM-YESZJQIVSA-N 2 1 364.494 0.213 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000523750868 490492702 /nfs/dbraw/zinc/49/27/02/490492702.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC000523750868 490492705 /nfs/dbraw/zinc/49/27/05/490492705.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC000523750868 490492710 /nfs/dbraw/zinc/49/27/10/490492710.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 1 369.554 0.668 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000571828264 491331709 /nfs/dbraw/zinc/33/17/09/491331709.db2.gz MXGNHKCHIZURGO-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473655 490520437 /nfs/dbraw/zinc/52/04/37/490520437.db2.gz RCQYMZXRMWIKFL-IEBWSBKVSA-N 2 1 352.523 0.772 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C[C@@H]21 ZINC000571873089 491334555 /nfs/dbraw/zinc/33/45/55/491334555.db2.gz CQHVFZUNWQJEDU-BDXSIMOUSA-N 2 1 356.470 0.350 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000564914920 491335983 /nfs/dbraw/zinc/33/59/83/491335983.db2.gz ANHXRPHBADSEMJ-RBSFLKMASA-N 2 1 354.495 0.249 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511151168 490566916 /nfs/dbraw/zinc/56/69/16/490566916.db2.gz MQIUKAOBQHILNX-UONOGXRCSA-N 2 1 360.380 0.647 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000501030175 490570202 /nfs/dbraw/zinc/57/02/02/490570202.db2.gz AVEHNWDIRKXVFL-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214938 490571635 /nfs/dbraw/zinc/57/16/35/490571635.db2.gz GLRNUUWVVNMQBV-NVXWUHKLSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214938 490571639 /nfs/dbraw/zinc/57/16/39/490571639.db2.gz GLRNUUWVVNMQBV-NVXWUHKLSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214938 490571644 /nfs/dbraw/zinc/57/16/44/490571644.db2.gz GLRNUUWVVNMQBV-NVXWUHKLSA-N 2 1 365.522 0.879 20 0 FCADMP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538262 490589283 /nfs/dbraw/zinc/58/92/83/490589283.db2.gz BSGVIAFYRLQGQO-WOJBJXKFSA-N 2 1 371.529 0.481 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000564929591 491338021 /nfs/dbraw/zinc/33/80/21/491338021.db2.gz NTFJNLZNAYVCIV-INIZCTEOSA-N 2 1 371.489 0.567 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)CC2(C)C)CC1=O ZINC000501341239 490597703 /nfs/dbraw/zinc/59/77/03/490597703.db2.gz OSGZQTUBEWMONP-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)CC2(C)C)CC1=O ZINC000501341237 490597744 /nfs/dbraw/zinc/59/77/44/490597744.db2.gz OSGZQTUBEWMONP-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000536751364 490612868 /nfs/dbraw/zinc/61/28/68/490612868.db2.gz BCTDFOOSRUBWKF-UHFFFAOYSA-N 2 1 351.539 0.251 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000550004879 490618472 /nfs/dbraw/zinc/61/84/72/490618472.db2.gz YXZQVINAGJOJBC-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1CC(C)(C)O ZINC000550004879 490618477 /nfs/dbraw/zinc/61/84/77/490618477.db2.gz YXZQVINAGJOJBC-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688398 490620159 /nfs/dbraw/zinc/62/01/59/490620159.db2.gz BZLAYWPLYQOGNW-JKSUJKDBSA-N 2 1 364.490 0.304 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000501664950 490632540 /nfs/dbraw/zinc/63/25/40/490632540.db2.gz POOMDHDWVKOFMC-GOSISDBHSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000501664950 490632546 /nfs/dbraw/zinc/63/25/46/490632546.db2.gz POOMDHDWVKOFMC-GOSISDBHSA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815066 490636901 /nfs/dbraw/zinc/63/69/01/490636901.db2.gz FOOFZCPSOMHQNA-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815066 490636906 /nfs/dbraw/zinc/63/69/06/490636906.db2.gz FOOFZCPSOMHQNA-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815066 490636909 /nfs/dbraw/zinc/63/69/09/490636909.db2.gz FOOFZCPSOMHQNA-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000572037386 491344616 /nfs/dbraw/zinc/34/46/16/491344616.db2.gz GKGWKVMRQGGEIQ-XOKHGSTOSA-N 2 1 366.506 0.079 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000572050891 491345459 /nfs/dbraw/zinc/34/54/59/491345459.db2.gz VJSSOBHXDQKWQB-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000572050891 491345460 /nfs/dbraw/zinc/34/54/60/491345460.db2.gz VJSSOBHXDQKWQB-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCN(C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486989801 490685221 /nfs/dbraw/zinc/68/52/21/490685221.db2.gz NLTWVNNVWFHGSY-WCXIOVBPSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486989801 490685224 /nfs/dbraw/zinc/68/52/24/490685224.db2.gz NLTWVNNVWFHGSY-WCXIOVBPSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCCCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486989801 490685227 /nfs/dbraw/zinc/68/52/27/490685227.db2.gz NLTWVNNVWFHGSY-WCXIOVBPSA-N 2 1 352.523 0.737 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+](CC(C)(C)O)C3CCOCC3)cn2)CC1 ZINC000537635534 490686533 /nfs/dbraw/zinc/68/65/33/490686533.db2.gz ZQZFLUSYQARFRJ-UHFFFAOYSA-N 2 1 363.506 0.980 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+](CC(C)(C)O)C3CCOCC3)cn2)CC1 ZINC000537635534 490686536 /nfs/dbraw/zinc/68/65/36/490686536.db2.gz ZQZFLUSYQARFRJ-UHFFFAOYSA-N 2 1 363.506 0.980 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168943 490699535 /nfs/dbraw/zinc/69/95/35/490699535.db2.gz WRYFIMVIGIQNJD-CJNGLKHVSA-N 2 1 368.503 0.663 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(S(C)(=O)=O)CCCC3)cn2)CC1 ZINC000513021699 490707411 /nfs/dbraw/zinc/70/74/11/490707411.db2.gz IJWZZZJTAHUPGN-UHFFFAOYSA-N 2 1 367.519 0.675 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572103563 491348618 /nfs/dbraw/zinc/34/86/18/491348618.db2.gz NUUFEIMKTVUVEC-WBVHZDCISA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572103563 491348620 /nfs/dbraw/zinc/34/86/20/491348620.db2.gz NUUFEIMKTVUVEC-WBVHZDCISA-N 2 1 363.506 0.609 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000502795964 490721955 /nfs/dbraw/zinc/72/19/55/490721955.db2.gz NAOMEEQSVVCDQL-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000502795964 490721958 /nfs/dbraw/zinc/72/19/58/490721958.db2.gz NAOMEEQSVVCDQL-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000488073955 490744601 /nfs/dbraw/zinc/74/46/01/490744601.db2.gz MMAWZBDMDNTBMP-ROUUACIJSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000488073955 490744606 /nfs/dbraw/zinc/74/46/06/490744606.db2.gz MMAWZBDMDNTBMP-ROUUACIJSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000488073955 490744611 /nfs/dbraw/zinc/74/46/11/490744611.db2.gz MMAWZBDMDNTBMP-ROUUACIJSA-N 2 1 354.539 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527770579 490758358 /nfs/dbraw/zinc/75/83/58/490758358.db2.gz FXTWSWNHIQDNDQ-QGZVFWFLSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527770579 490758362 /nfs/dbraw/zinc/75/83/62/490758362.db2.gz FXTWSWNHIQDNDQ-QGZVFWFLSA-N 2 1 365.522 0.855 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527767712 490758661 /nfs/dbraw/zinc/75/86/61/490758661.db2.gz WMABZAYNHSGQLO-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP COc1cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1OCCO ZINC000514150129 490764035 /nfs/dbraw/zinc/76/40/35/490764035.db2.gz XOVICJFLXSKWGG-HNNXBMFYSA-N 2 1 365.474 0.881 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000557116717 491354085 /nfs/dbraw/zinc/35/40/85/491354085.db2.gz BLSFBCVWQZUBMX-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000514585840 490771774 /nfs/dbraw/zinc/77/17/74/490771774.db2.gz KVMKLQBRFNOBEU-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000514585840 490771776 /nfs/dbraw/zinc/77/17/76/490771776.db2.gz KVMKLQBRFNOBEU-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)CCC(F)(F)F ZINC000514793460 490788436 /nfs/dbraw/zinc/78/84/36/490788436.db2.gz LXGBWBHMESQRTE-UHFFFAOYSA-N 2 1 352.401 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)CCC(F)(F)F ZINC000514793460 490788438 /nfs/dbraw/zinc/78/84/38/490788438.db2.gz LXGBWBHMESQRTE-UHFFFAOYSA-N 2 1 352.401 0.587 20 0 FCADMP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850470 490793098 /nfs/dbraw/zinc/79/30/98/490793098.db2.gz NESFJKPPUPVIQO-NVXWUHKLSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572226824 491356636 /nfs/dbraw/zinc/35/66/36/491356636.db2.gz DAUDXMFTZLVGJB-PKOBYXMFSA-N 2 1 374.533 0.481 20 0 FCADMP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000514977689 490801320 /nfs/dbraw/zinc/80/13/20/490801320.db2.gz ZNIDKNRMRGCDHX-INIZCTEOSA-N 2 1 365.478 0.322 20 0 FCADMP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCN1CCCOCC1 ZINC000514977689 490801321 /nfs/dbraw/zinc/80/13/21/490801321.db2.gz ZNIDKNRMRGCDHX-INIZCTEOSA-N 2 1 365.478 0.322 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000515528193 490831025 /nfs/dbraw/zinc/83/10/25/490831025.db2.gz PLAUSKYJPUKKOL-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301387 490849044 /nfs/dbraw/zinc/84/90/44/490849044.db2.gz YBMZSIOHQIVHTB-CRAIPNDOSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301387 490849048 /nfs/dbraw/zinc/84/90/48/490849048.db2.gz YBMZSIOHQIVHTB-CRAIPNDOSA-N 2 1 362.474 0.695 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccnn3CCO)CC2)CC1 ZINC000506085496 490850137 /nfs/dbraw/zinc/85/01/37/490850137.db2.gz KRKGZYWKVMAYTK-UHFFFAOYSA-N 2 1 363.506 0.655 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC3)c2)C1 ZINC000506114748 490851085 /nfs/dbraw/zinc/85/10/85/490851085.db2.gz UVLXSDALLIJTJW-GOSISDBHSA-N 2 1 373.501 0.889 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000516253982 490858742 /nfs/dbraw/zinc/85/87/42/490858742.db2.gz ICPLEHDACQONRW-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)CC2)c1 ZINC000516297765 490860032 /nfs/dbraw/zinc/86/00/32/490860032.db2.gz MSZTYZRXCAZRGK-HXUWFJFHSA-N 2 1 371.529 0.623 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000557251848 491362140 /nfs/dbraw/zinc/36/21/40/491362140.db2.gz ZZQUFATZBXYAAC-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000557251848 491362141 /nfs/dbraw/zinc/36/21/41/491362141.db2.gz ZZQUFATZBXYAAC-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000516856188 490880665 /nfs/dbraw/zinc/88/06/65/490880665.db2.gz FZUIGXSSPNVOIC-GJZGRUSLSA-N 2 1 367.519 0.406 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000516864451 490881463 /nfs/dbraw/zinc/88/14/63/490881463.db2.gz CEWWPFYSMDWPNT-QGZVFWFLSA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000516864451 490881464 /nfs/dbraw/zinc/88/14/64/490881464.db2.gz CEWWPFYSMDWPNT-QGZVFWFLSA-N 2 1 360.458 0.843 20 0 FCADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]CCC(N)=O)cc2)CC1 ZINC000516921673 490884997 /nfs/dbraw/zinc/88/49/97/490884997.db2.gz DWGAHOGMIUBQAF-UHFFFAOYSA-N 2 1 362.474 0.237 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC000572274721 491359921 /nfs/dbraw/zinc/35/99/21/491359921.db2.gz LMNCHZOZNRMDDN-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000530421822 490905082 /nfs/dbraw/zinc/90/50/82/490905082.db2.gz AUHATHWASILDGR-INIZCTEOSA-N 2 1 354.495 0.193 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000530421822 490905085 /nfs/dbraw/zinc/90/50/85/490905085.db2.gz AUHATHWASILDGR-INIZCTEOSA-N 2 1 354.495 0.193 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000517375700 490906464 /nfs/dbraw/zinc/90/64/64/490906464.db2.gz UEXULBFMQPHJMN-INIZCTEOSA-N 2 1 354.495 0.047 20 0 FCADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966303 490926501 /nfs/dbraw/zinc/92/65/01/490926501.db2.gz VXZGMGHKEJAHLC-MSOLQXFVSA-N 2 1 371.485 0.388 20 0 FCADMP C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062787 490938800 /nfs/dbraw/zinc/93/88/00/490938800.db2.gz GTKTXEGBFROQIG-NQIIRXRSSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062787 490938801 /nfs/dbraw/zinc/93/88/01/490938801.db2.gz GTKTXEGBFROQIG-NQIIRXRSSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062787 490938803 /nfs/dbraw/zinc/93/88/03/490938803.db2.gz GTKTXEGBFROQIG-NQIIRXRSSA-N 2 1 374.529 0.623 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@H]12 ZINC000518514678 490943762 /nfs/dbraw/zinc/94/37/62/490943762.db2.gz IMSPEHRJCDAOGC-FZMABENVSA-N 2 1 360.502 0.657 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000565255358 491366515 /nfs/dbraw/zinc/36/65/15/491366515.db2.gz RRZGZGMFZMQXHO-SJORKVTESA-N 2 1 359.474 0.592 20 0 FCADMP O=C(C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000572392539 491367089 /nfs/dbraw/zinc/36/70/89/491367089.db2.gz ZXDJKNOXMKKJLT-MSOLQXFVSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000519360707 490969578 /nfs/dbraw/zinc/96/95/78/490969578.db2.gz RPTZGHODAWRUOG-KSZLIROESA-N 2 1 365.522 0.319 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000519370815 490969914 /nfs/dbraw/zinc/96/99/14/490969914.db2.gz WTACMFDMOBQBAY-QGZVFWFLSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(=O)n(C)c1=O ZINC000519401699 490970972 /nfs/dbraw/zinc/97/09/72/490970972.db2.gz AFXIPIRITFOZDA-LBPRGKRZSA-N 2 1 365.478 0.027 20 0 FCADMP CSC1(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000569518931 491165848 /nfs/dbraw/zinc/16/58/48/491165848.db2.gz YEYRTICSDFUGGY-MRXNPFEDSA-N 2 1 371.595 0.997 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000562526658 491171663 /nfs/dbraw/zinc/17/16/63/491171663.db2.gz NSBXPFGTINEYTN-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526658 491171666 /nfs/dbraw/zinc/17/16/66/491171666.db2.gz NSBXPFGTINEYTN-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526658 491171670 /nfs/dbraw/zinc/17/16/70/491171670.db2.gz NSBXPFGTINEYTN-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000569652317 491178390 /nfs/dbraw/zinc/17/83/90/491178390.db2.gz YLBSAFBLPZKTEU-OAHLLOKOSA-N 2 1 362.540 0.190 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000569652317 491178392 /nfs/dbraw/zinc/17/83/92/491178392.db2.gz YLBSAFBLPZKTEU-OAHLLOKOSA-N 2 1 362.540 0.190 20 0 FCADMP CC(C)[NH2+]CCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000572406450 491368411 /nfs/dbraw/zinc/36/84/11/491368411.db2.gz SVXPCSPOJAFZBN-UHFFFAOYSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000565358118 491371632 /nfs/dbraw/zinc/37/16/32/491371632.db2.gz ICNWNVZLLHPENW-LMMKCTJWSA-N 2 1 357.539 0.936 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000572509523 491375614 /nfs/dbraw/zinc/37/56/14/491375614.db2.gz NUDCGWQSQCBYRP-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355900 493338241 /nfs/dbraw/zinc/33/82/41/493338241.db2.gz FCKMZIUESDXLEF-KBPBESRZSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355900 493338243 /nfs/dbraw/zinc/33/82/43/493338243.db2.gz FCKMZIUESDXLEF-KBPBESRZSA-N 2 1 350.463 0.988 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565547934 491383887 /nfs/dbraw/zinc/38/38/87/491383887.db2.gz DZPPNWSKTXSOBA-UHFFFAOYSA-N 2 1 351.495 0.875 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565548326 491383979 /nfs/dbraw/zinc/38/39/79/491383979.db2.gz GRALEAJMIXNFCM-QWHCGFSZSA-N 2 1 366.849 0.921 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565548326 491383982 /nfs/dbraw/zinc/38/39/82/491383982.db2.gz GRALEAJMIXNFCM-QWHCGFSZSA-N 2 1 366.849 0.921 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000572747763 491391323 /nfs/dbraw/zinc/39/13/23/491391323.db2.gz FLJCCMRUYBXVHL-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742098 491395534 /nfs/dbraw/zinc/39/55/34/491395534.db2.gz JPFZZJRJDMYFAE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000557742098 491395536 /nfs/dbraw/zinc/39/55/36/491395536.db2.gz JPFZZJRJDMYFAE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000557742098 491395538 /nfs/dbraw/zinc/39/55/38/491395538.db2.gz JPFZZJRJDMYFAE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1CC[NH2+]CC1 ZINC000565941170 491408041 /nfs/dbraw/zinc/40/80/41/491408041.db2.gz QEHMYVMQVHGXNU-INIZCTEOSA-N 2 1 360.506 0.891 20 0 FCADMP CC[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000565968199 491409719 /nfs/dbraw/zinc/40/97/19/491409719.db2.gz CLOPFPOOHFJFQI-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CCN(C(=O)C[C@@H](O)CC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000565968196 491409826 /nfs/dbraw/zinc/40/98/26/491409826.db2.gz CLOPFPOOHFJFQI-BJWYYQGGSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CCN(C(=O)C[C@H](O)CC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000565968196 491409829 /nfs/dbraw/zinc/40/98/29/491409829.db2.gz CLOPFPOOHFJFQI-BJWYYQGGSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CCN(C(=O)C[C@H](O)CC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000565968196 491409831 /nfs/dbraw/zinc/40/98/31/491409831.db2.gz CLOPFPOOHFJFQI-BJWYYQGGSA-N 2 1 368.522 0.233 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573132130 491414959 /nfs/dbraw/zinc/41/49/59/491414959.db2.gz JHCKLDIBWYBRIU-SJORKVTESA-N 2 1 366.506 0.033 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573202220 491418905 /nfs/dbraw/zinc/41/89/05/491418905.db2.gz QPDPZIXNKQRXOB-ZWKOTPCHSA-N 2 1 358.486 0.932 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000566166858 491421791 /nfs/dbraw/zinc/42/17/91/491421791.db2.gz GILVAUNUXMSJTL-KRWDZBQOSA-N 2 1 359.474 0.241 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566199449 491424825 /nfs/dbraw/zinc/42/48/25/491424825.db2.gz WYRPVFZFJUZIGB-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000566197815 491424914 /nfs/dbraw/zinc/42/49/14/491424914.db2.gz QOWUUZHDOYMKSI-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412997 491429408 /nfs/dbraw/zinc/42/94/08/491429408.db2.gz XCVPNTFKUGYEHE-HOTGVXAUSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000558412997 491429409 /nfs/dbraw/zinc/42/94/09/491429409.db2.gz XCVPNTFKUGYEHE-HOTGVXAUSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000558412997 491429411 /nfs/dbraw/zinc/42/94/11/491429411.db2.gz XCVPNTFKUGYEHE-HOTGVXAUSA-N 2 1 350.507 0.847 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000566304315 491434062 /nfs/dbraw/zinc/43/40/62/491434062.db2.gz XHGKJBRVHRHPED-GVDBMIGSSA-N 2 1 358.490 0.575 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000573451397 491434177 /nfs/dbraw/zinc/43/41/77/491434177.db2.gz SPZNZXVKFQDVOR-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP CC[C@@H]1CN(C)CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000573451397 491434179 /nfs/dbraw/zinc/43/41/79/491434179.db2.gz SPZNZXVKFQDVOR-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348242 491438405 /nfs/dbraw/zinc/43/84/05/491438405.db2.gz QZPBJIYWTLKQFN-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000573526545 491438678 /nfs/dbraw/zinc/43/86/78/491438678.db2.gz AYYBFUVCUISVAM-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000573526545 491438679 /nfs/dbraw/zinc/43/86/79/491438679.db2.gz AYYBFUVCUISVAM-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000566396676 491441004 /nfs/dbraw/zinc/44/10/04/491441004.db2.gz FDYSPMWLZIVLNH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000566396676 491441005 /nfs/dbraw/zinc/44/10/05/491441005.db2.gz FDYSPMWLZIVLNH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000566396676 491441007 /nfs/dbraw/zinc/44/10/07/491441007.db2.gz FDYSPMWLZIVLNH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](COC)C(=O)OC)CC2)CC1 ZINC000566449021 491444713 /nfs/dbraw/zinc/44/47/13/491444713.db2.gz OTQYILHGRAFVOM-MRXNPFEDSA-N 2 1 355.479 0.487 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000573674891 491447672 /nfs/dbraw/zinc/44/76/72/491447672.db2.gz GUQBWNXKUJQCOI-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000573704836 491449717 /nfs/dbraw/zinc/44/97/17/491449717.db2.gz WGNUMYNAVOXROC-QGZVFWFLSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000566551411 491452743 /nfs/dbraw/zinc/45/27/43/491452743.db2.gz ZMWANUJHQJRIDD-IAGOWNOFSA-N 2 1 360.506 0.891 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000559292113 491462213 /nfs/dbraw/zinc/46/22/13/491462213.db2.gz ITYPWQPMRVNEBQ-IKGGRYGDSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000559292113 491462214 /nfs/dbraw/zinc/46/22/14/491462214.db2.gz ITYPWQPMRVNEBQ-IKGGRYGDSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000559292113 491462215 /nfs/dbraw/zinc/46/22/15/491462215.db2.gz ITYPWQPMRVNEBQ-IKGGRYGDSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cn3ccccc3n2)C1 ZINC000573929537 491463537 /nfs/dbraw/zinc/46/35/37/491463537.db2.gz FCIWDZLOOATGQG-MRXNPFEDSA-N 2 1 373.457 0.424 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCc2cn3ccccc3n2)C1 ZINC000573929537 491463538 /nfs/dbraw/zinc/46/35/38/491463538.db2.gz FCIWDZLOOATGQG-MRXNPFEDSA-N 2 1 373.457 0.424 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]CC3([NH+]4CCCC4)CCOCC3)CC2)N1 ZINC000574084937 491473603 /nfs/dbraw/zinc/47/36/03/491473603.db2.gz RGQDSUWBIYUKPI-UHFFFAOYSA-N 2 1 350.463 0.742 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559443996 491473933 /nfs/dbraw/zinc/47/39/33/491473933.db2.gz DIOKDJPVXJPWFC-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000559445303 491474106 /nfs/dbraw/zinc/47/41/06/491474106.db2.gz DCZSVFRWSAQIDC-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000566963178 491477302 /nfs/dbraw/zinc/47/73/02/491477302.db2.gz FSXNJPAAZDWQDM-ZDUSSCGKSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000566963178 491477305 /nfs/dbraw/zinc/47/73/05/491477305.db2.gz FSXNJPAAZDWQDM-ZDUSSCGKSA-N 2 1 364.515 0.727 20 0 FCADMP CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484715 /nfs/dbraw/zinc/48/47/15/491484715.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 2 1 361.490 0.038 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398049 491493593 /nfs/dbraw/zinc/49/35/93/491493593.db2.gz ZJHXEBRFBQGVCR-HZPDHXFCSA-N 2 1 363.510 0.034 20 0 FCADMP COC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000567349421 491500540 /nfs/dbraw/zinc/50/05/40/491500540.db2.gz NDCXVNPQMIAARW-LJQANCHMSA-N 2 1 364.465 0.690 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567387042 491503402 /nfs/dbraw/zinc/50/34/02/491503402.db2.gz ZBVBQPYFKZUDEK-CABCVRRESA-N 2 1 353.488 0.857 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567387042 491503404 /nfs/dbraw/zinc/50/34/04/491503404.db2.gz ZBVBQPYFKZUDEK-CABCVRRESA-N 2 1 353.488 0.857 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCSC1 ZINC000559866445 491506163 /nfs/dbraw/zinc/50/61/63/491506163.db2.gz ZHBDUZCQRILEDT-KRWDZBQOSA-N 2 1 354.520 0.237 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868017 491507010 /nfs/dbraw/zinc/50/70/10/491507010.db2.gz WZKJZBFNHIEXDI-SUYBPPKGSA-N 2 1 354.520 0.139 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000567575016 491514650 /nfs/dbraw/zinc/51/46/50/491514650.db2.gz ULLIMCLYJQPIPG-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560027863 491516441 /nfs/dbraw/zinc/51/64/41/491516441.db2.gz MOJZQRSGUUKVGD-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741440 491516941 /nfs/dbraw/zinc/51/69/41/491516941.db2.gz HBWJVTXNALWGAI-SJORKVTESA-N 2 1 353.511 0.032 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000567625586 491518574 /nfs/dbraw/zinc/51/85/74/491518574.db2.gz DKMNYFKXOUKJEX-HOTGVXAUSA-N 2 1 361.490 0.989 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000567625586 491518577 /nfs/dbraw/zinc/51/85/77/491518577.db2.gz DKMNYFKXOUKJEX-HOTGVXAUSA-N 2 1 361.490 0.989 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000574802236 491521029 /nfs/dbraw/zinc/52/10/29/491521029.db2.gz GSWWMGRSAHALHR-GBESFXJTSA-N 2 1 370.497 0.440 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000574802236 491521030 /nfs/dbraw/zinc/52/10/30/491521030.db2.gz GSWWMGRSAHALHR-GBESFXJTSA-N 2 1 370.497 0.440 20 0 FCADMP O=C(COC1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567777140 491528928 /nfs/dbraw/zinc/52/89/28/491528928.db2.gz XEIODWMJNZVQOF-UHFFFAOYSA-N 2 1 364.465 0.833 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981663 491531120 /nfs/dbraw/zinc/53/11/20/491531120.db2.gz YSUAGEOGXLKQGO-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000567826283 491532412 /nfs/dbraw/zinc/53/24/12/491532412.db2.gz YHHDWAPHSXVYGZ-OAHLLOKOSA-N 2 1 364.494 0.780 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CCCO1 ZINC000575476916 491555262 /nfs/dbraw/zinc/55/52/62/491555262.db2.gz MJLUMXHSYBDLLK-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199844 491558950 /nfs/dbraw/zinc/55/89/50/491558950.db2.gz JUWYQTBSCMJCBC-AZUAARDMSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199844 491558952 /nfs/dbraw/zinc/55/89/52/491558952.db2.gz JUWYQTBSCMJCBC-AZUAARDMSA-N 2 1 361.486 0.708 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000560882497 491561602 /nfs/dbraw/zinc/56/16/02/491561602.db2.gz IXLOJODGXRYEIQ-GOSISDBHSA-N 2 1 369.469 0.946 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560882497 491561604 /nfs/dbraw/zinc/56/16/04/491561604.db2.gz IXLOJODGXRYEIQ-GOSISDBHSA-N 2 1 369.469 0.946 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000560887723 491562585 /nfs/dbraw/zinc/56/25/85/491562585.db2.gz VZKUTNRAHBNLNN-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000568372875 491571991 /nfs/dbraw/zinc/57/19/91/491571991.db2.gz BISNLFGODYMZHD-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000584396556 491586506 /nfs/dbraw/zinc/58/65/06/491586506.db2.gz RIJFJTWHEGADIX-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000561234392 491586701 /nfs/dbraw/zinc/58/67/01/491586701.db2.gz QTALDCHJIFBQCI-KRWDZBQOSA-N 2 1 368.522 0.355 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000576233925 491595569 /nfs/dbraw/zinc/59/55/69/491595569.db2.gz OBVVVKIIPYKGFA-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635268 491595918 /nfs/dbraw/zinc/59/59/18/491595918.db2.gz XAMGTQYKADOESZ-FRQCXROJSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577163163 491597374 /nfs/dbraw/zinc/59/73/74/491597374.db2.gz YMWOCGHAKYLBEP-MRXNPFEDSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000577171770 491597813 /nfs/dbraw/zinc/59/78/13/491597813.db2.gz GJRYXCHQNMXIDS-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188285 491599931 /nfs/dbraw/zinc/59/99/31/491599931.db2.gz CCACHORQUXTTGZ-LSDHHAIUSA-N 2 1 363.462 0.722 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000561438050 491608427 /nfs/dbraw/zinc/60/84/27/491608427.db2.gz NSSOKIQLWZWMBQ-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000561438045 491608673 /nfs/dbraw/zinc/60/86/73/491608673.db2.gz NSSOKIQLWZWMBQ-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000561450456 491609207 /nfs/dbraw/zinc/60/92/07/491609207.db2.gz LOXUGEYVRUIMNM-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000576399309 491611411 /nfs/dbraw/zinc/61/14/11/491611411.db2.gz BCTDSSUWQHQOEN-OAHLLOKOSA-N 2 1 353.488 0.652 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000576399309 491611413 /nfs/dbraw/zinc/61/14/13/491611413.db2.gz BCTDSSUWQHQOEN-OAHLLOKOSA-N 2 1 353.488 0.652 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000561487847 491612293 /nfs/dbraw/zinc/61/22/93/491612293.db2.gz BEYSSDABRXTASR-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745875 491628675 /nfs/dbraw/zinc/62/86/75/491628675.db2.gz CEECOHCXTXZGHS-MWDXBVQZSA-N 2 1 350.507 0.585 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)CC1 ZINC000561792261 491630807 /nfs/dbraw/zinc/63/08/07/491630807.db2.gz DMONJDHGMMXFSC-DZOHQFGASA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554955 491632147 /nfs/dbraw/zinc/63/21/47/491632147.db2.gz NSMQUCCHWVKXKV-CVEARBPZSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000577554955 491632149 /nfs/dbraw/zinc/63/21/49/491632149.db2.gz NSMQUCCHWVKXKV-CVEARBPZSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000577554955 491632151 /nfs/dbraw/zinc/63/21/51/491632151.db2.gz NSMQUCCHWVKXKV-CVEARBPZSA-N 2 1 366.506 0.370 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000569087092 491632255 /nfs/dbraw/zinc/63/22/55/491632255.db2.gz JVYRQAMJOOBNQO-ZDUSSCGKSA-N 2 1 352.504 0.727 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000569087092 491632257 /nfs/dbraw/zinc/63/22/57/491632257.db2.gz JVYRQAMJOOBNQO-ZDUSSCGKSA-N 2 1 352.504 0.727 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000576663926 491634112 /nfs/dbraw/zinc/63/41/12/491634112.db2.gz NYJJQICALXPLQD-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000576663926 491634114 /nfs/dbraw/zinc/63/41/14/491634114.db2.gz NYJJQICALXPLQD-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000576663926 491634115 /nfs/dbraw/zinc/63/41/15/491634115.db2.gz NYJJQICALXPLQD-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687308 491636092 /nfs/dbraw/zinc/63/60/92/491636092.db2.gz NPHFXSAZPSYAQL-SJORKVTESA-N 2 1 365.522 0.714 20 0 FCADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703532 491637513 /nfs/dbraw/zinc/63/75/13/491637513.db2.gz JYZQOCDISXXDKP-CVEARBPZSA-N 2 1 366.458 0.837 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000576754412 491641935 /nfs/dbraw/zinc/64/19/35/491641935.db2.gz PELMSINCBCTUJF-SJLPKXTDSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NC1C[NH2+]C1 ZINC000569336405 491652895 /nfs/dbraw/zinc/65/28/95/491652895.db2.gz IHWGELHTJVJFFZ-OAHLLOKOSA-N 2 1 350.850 0.681 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798400 491652973 /nfs/dbraw/zinc/65/29/73/491652973.db2.gz PCGHDFSDBOKENK-PBHICJAKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000576900451 491654954 /nfs/dbraw/zinc/65/49/54/491654954.db2.gz CXGVOWSDCZRWCO-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900451 491654957 /nfs/dbraw/zinc/65/49/57/491654957.db2.gz CXGVOWSDCZRWCO-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900451 491654960 /nfs/dbraw/zinc/65/49/60/491654960.db2.gz CXGVOWSDCZRWCO-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000578209049 491672199 /nfs/dbraw/zinc/67/21/99/491672199.db2.gz JXZZHUJFDRWCMJ-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578324701 491674690 /nfs/dbraw/zinc/67/46/90/491674690.db2.gz SMOVPBOCFCQJRC-ZVZYQTTQSA-N 2 1 374.485 0.802 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578607497 491680556 /nfs/dbraw/zinc/68/05/56/491680556.db2.gz XNURXFCDSXMEDX-MRXNPFEDSA-N 2 1 354.495 0.206 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578607497 491680557 /nfs/dbraw/zinc/68/05/57/491680557.db2.gz XNURXFCDSXMEDX-MRXNPFEDSA-N 2 1 354.495 0.206 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000578985428 491688340 /nfs/dbraw/zinc/68/83/40/491688340.db2.gz SQGPRLOUOPZGTO-ZNMIVQPWSA-N 2 1 350.467 0.259 20 0 FCADMP [NH3+][C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000579109124 491691188 /nfs/dbraw/zinc/69/11/88/491691188.db2.gz ODFVGQZCXMROLP-MSOLQXFVSA-N 2 1 374.485 0.516 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000579225615 491693461 /nfs/dbraw/zinc/69/34/61/491693461.db2.gz WAGOAGZPMVTNHC-OALUTQOASA-N 2 1 370.497 0.931 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000579225614 491693478 /nfs/dbraw/zinc/69/34/78/491693478.db2.gz WAGOAGZPMVTNHC-MOPGFXCFSA-N 2 1 370.497 0.931 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254196 491694055 /nfs/dbraw/zinc/69/40/55/491694055.db2.gz AKLAGMKDFIASLN-LSDHHAIUSA-N 2 1 355.483 0.597 20 0 FCADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359990 491696381 /nfs/dbraw/zinc/69/63/81/491696381.db2.gz YYNQVNMJMIPGBH-ZWKOTPCHSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000579453787 491698154 /nfs/dbraw/zinc/69/81/54/491698154.db2.gz UBLKHKSOLIQDST-LMSBXDPUSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000579453789 491698221 /nfs/dbraw/zinc/69/82/21/491698221.db2.gz UBLKHKSOLIQDST-XYVMCAHJSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579693070 491702967 /nfs/dbraw/zinc/70/29/67/491702967.db2.gz XEYVVOCSXGIOSF-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579693070 491702968 /nfs/dbraw/zinc/70/29/68/491702968.db2.gz XEYVVOCSXGIOSF-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000579715224 491703704 /nfs/dbraw/zinc/70/37/04/491703704.db2.gz UIDDBJDJFPIRFA-XHSDSOJGSA-N 2 1 354.495 0.250 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)CC2 ZINC000579720628 491703850 /nfs/dbraw/zinc/70/38/50/491703850.db2.gz TYJBPWYIDJBFTQ-INIZCTEOSA-N 2 1 361.490 0.670 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](OC)C(=O)OC)CC2)CC1 ZINC000579731688 491704089 /nfs/dbraw/zinc/70/40/89/491704089.db2.gz UXLLCOXGDWENHV-MRXNPFEDSA-N 2 1 355.479 0.487 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000584769912 491713399 /nfs/dbraw/zinc/71/33/99/491713399.db2.gz DXCLESRJDIORFF-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000584769912 491713400 /nfs/dbraw/zinc/71/34/00/491713400.db2.gz DXCLESRJDIORFF-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000584769915 491713475 /nfs/dbraw/zinc/71/34/75/491713475.db2.gz DXCLESRJDIORFF-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000584769915 491713477 /nfs/dbraw/zinc/71/34/77/491713477.db2.gz DXCLESRJDIORFF-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000584781367 491714165 /nfs/dbraw/zinc/71/41/65/491714165.db2.gz LYJCTPZDLRFISZ-XYJFISCASA-N 2 1 360.502 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584793679 491714717 /nfs/dbraw/zinc/71/47/17/491714717.db2.gz RLQLKXCOAZFZOH-SPUZQDLCSA-N 2 1 371.485 0.460 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580294071 491724676 /nfs/dbraw/zinc/72/46/76/491724676.db2.gz QXNLZKFAVCAKRH-QAETUUGQSA-N 2 1 362.518 0.824 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000580493560 491733526 /nfs/dbraw/zinc/73/35/26/491733526.db2.gz JXTIKPNXOZGGBN-OAHLLOKOSA-N 2 1 355.527 0.957 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580824232 491747242 /nfs/dbraw/zinc/74/72/42/491747242.db2.gz ZKODBXWRBKYNMR-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580824232 491747243 /nfs/dbraw/zinc/74/72/43/491747243.db2.gz ZKODBXWRBKYNMR-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580903265 491751243 /nfs/dbraw/zinc/75/12/43/491751243.db2.gz RVAHJHXXHZIGIH-SFHVURJKSA-N 2 1 358.446 0.409 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000581005889 491755185 /nfs/dbraw/zinc/75/51/85/491755185.db2.gz ZIPTYHDCNYJXME-IBGZPJMESA-N 2 1 357.458 0.251 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135335 491760770 /nfs/dbraw/zinc/76/07/70/491760770.db2.gz FBVJNVLYGAOXPZ-HOTGVXAUSA-N 2 1 363.510 0.500 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135336 491760956 /nfs/dbraw/zinc/76/09/56/491760956.db2.gz FBVJNVLYGAOXPZ-HZPDHXFCSA-N 2 1 363.510 0.500 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581500305 491775451 /nfs/dbraw/zinc/77/54/51/491775451.db2.gz MXOUUOGRAIWUSN-RTBURBONSA-N 2 1 372.513 0.878 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000581538819 491776849 /nfs/dbraw/zinc/77/68/49/491776849.db2.gz SPXZCZIOKZUFHL-UHFFFAOYSA-N 2 1 356.511 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000581538711 491776966 /nfs/dbraw/zinc/77/69/66/491776966.db2.gz RMXUWNWQSJSQPE-OAHLLOKOSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000581538711 491776967 /nfs/dbraw/zinc/77/69/67/491776967.db2.gz RMXUWNWQSJSQPE-OAHLLOKOSA-N 2 1 358.486 0.665 20 0 FCADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581597037 491779217 /nfs/dbraw/zinc/77/92/17/491779217.db2.gz XXJOBFVKMYIYMY-QGZVFWFLSA-N 2 1 359.474 0.382 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000581717134 491783947 /nfs/dbraw/zinc/78/39/47/491783947.db2.gz YNWZDUKQKBPKKF-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581717134 491783948 /nfs/dbraw/zinc/78/39/48/491783948.db2.gz YNWZDUKQKBPKKF-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000581717134 491783949 /nfs/dbraw/zinc/78/39/49/491783949.db2.gz YNWZDUKQKBPKKF-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835863 491787073 /nfs/dbraw/zinc/78/70/73/491787073.db2.gz MJGHEJRAGQJEOT-FGTMMUONSA-N 2 1 372.469 0.048 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835863 491787074 /nfs/dbraw/zinc/78/70/74/491787074.db2.gz MJGHEJRAGQJEOT-FGTMMUONSA-N 2 1 372.469 0.048 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000582230923 491803106 /nfs/dbraw/zinc/80/31/06/491803106.db2.gz PJCHPXNEVWJDQZ-FUHWJXTLSA-N 2 1 361.490 0.485 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000582545801 491817166 /nfs/dbraw/zinc/81/71/66/491817166.db2.gz IJDXTLXLAZQYLS-SQNIBIBYSA-N 2 1 351.491 0.985 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668815 491821885 /nfs/dbraw/zinc/82/18/85/491821885.db2.gz MFMRLMFENJMCCJ-YALNPMBYSA-N 2 1 363.506 0.606 20 0 FCADMP CS(=O)(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000591718873 491822070 /nfs/dbraw/zinc/82/20/70/491822070.db2.gz KJJHFNXWAFLLIX-OAHLLOKOSA-N 2 1 368.503 0.735 20 0 FCADMP CS(=O)(=O)Nc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000591718873 491822072 /nfs/dbraw/zinc/82/20/72/491822072.db2.gz KJJHFNXWAFLLIX-OAHLLOKOSA-N 2 1 368.503 0.735 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000582726991 491824305 /nfs/dbraw/zinc/82/43/05/491824305.db2.gz ZSNLFHMPZSEHDE-ZNMIVQPWSA-N 2 1 350.463 0.598 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000582898151 491831339 /nfs/dbraw/zinc/83/13/39/491831339.db2.gz JIXVKSGNBAURFV-FQEVSTJZSA-N 2 1 362.518 0.623 20 0 FCADMP CN(C)CC[NH+](C)CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000582898151 491831341 /nfs/dbraw/zinc/83/13/41/491831341.db2.gz JIXVKSGNBAURFV-FQEVSTJZSA-N 2 1 362.518 0.623 20 0 FCADMP CN(C)CC[NH+](C)CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000582898151 491831343 /nfs/dbraw/zinc/83/13/43/491831343.db2.gz JIXVKSGNBAURFV-FQEVSTJZSA-N 2 1 362.518 0.623 20 0 FCADMP CN(CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC[NH+](C)C ZINC000582898151 491831345 /nfs/dbraw/zinc/83/13/45/491831345.db2.gz JIXVKSGNBAURFV-FQEVSTJZSA-N 2 1 362.518 0.623 20 0 FCADMP CN(CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC[NH+](C)C ZINC000582898151 491831347 /nfs/dbraw/zinc/83/13/47/491831347.db2.gz JIXVKSGNBAURFV-FQEVSTJZSA-N 2 1 362.518 0.623 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582954442 491833740 /nfs/dbraw/zinc/83/37/40/491833740.db2.gz YSGQDTPYEJQWIB-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583012425 491836083 /nfs/dbraw/zinc/83/60/83/491836083.db2.gz VJTGATKQMKKNSK-UHFFFAOYSA-N 2 1 361.490 0.271 20 0 FCADMP CN(CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)CC[NH+](C)C ZINC000583012425 491836084 /nfs/dbraw/zinc/83/60/84/491836084.db2.gz VJTGATKQMKKNSK-UHFFFAOYSA-N 2 1 361.490 0.271 20 0 FCADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+](CC)CCO)CC2)CC1 ZINC000583272485 491841488 /nfs/dbraw/zinc/84/14/88/491841488.db2.gz MEUOCJBSAUGXDY-UHFFFAOYSA-N 2 1 354.539 0.613 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583272485 491841489 /nfs/dbraw/zinc/84/14/89/491841489.db2.gz MEUOCJBSAUGXDY-UHFFFAOYSA-N 3 1 354.539 0.613 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583272485 491841490 /nfs/dbraw/zinc/84/14/90/491841490.db2.gz MEUOCJBSAUGXDY-UHFFFAOYSA-N 3 1 354.539 0.613 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000583379071 491843639 /nfs/dbraw/zinc/84/36/39/491843639.db2.gz DGSOSPGMPJRNOZ-MRXNPFEDSA-N 2 1 362.478 0.090 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583379827 491843685 /nfs/dbraw/zinc/84/36/85/491843685.db2.gz RXCVTJISWQAPCB-LSDHHAIUSA-N 2 1 353.511 0.698 20 0 FCADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000583761006 491851486 /nfs/dbraw/zinc/85/14/86/491851486.db2.gz CMJGBQWTVGEPQI-HOTGVXAUSA-N 2 1 353.507 0.887 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CCOCC3)CC2)CC1 ZINC000584010892 491856690 /nfs/dbraw/zinc/85/66/90/491856690.db2.gz PUVZNVKKUAKFTE-UHFFFAOYSA-N 2 1 352.523 0.631 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000584110096 491858722 /nfs/dbraw/zinc/85/87/22/491858722.db2.gz PLVSNTUPTPHJJQ-CABCVRRESA-N 2 1 350.467 0.117 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584163065 491859679 /nfs/dbraw/zinc/85/96/79/491859679.db2.gz UIVDEICZJWBRQM-HLLBOEOZSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584163065 491859680 /nfs/dbraw/zinc/85/96/80/491859680.db2.gz UIVDEICZJWBRQM-HLLBOEOZSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000611642294 491864257 /nfs/dbraw/zinc/86/42/57/491864257.db2.gz WQKJRAIHPMAPOJ-XHSDSOJGSA-N 2 1 350.507 0.964 20 0 FCADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337836 491921705 /nfs/dbraw/zinc/92/17/05/491921705.db2.gz LRIKQQNHIHKNFT-IAGOWNOFSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000612484155 491924380 /nfs/dbraw/zinc/92/43/80/491924380.db2.gz DUTKUBHNYLKWEV-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612541032 491931011 /nfs/dbraw/zinc/93/10/11/491931011.db2.gz BLXURBFBLDAMOV-QGZVFWFLSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546006 491931870 /nfs/dbraw/zinc/93/18/70/491931870.db2.gz OFHGNGSZQMRSIP-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000612594493 491936899 /nfs/dbraw/zinc/93/68/99/491936899.db2.gz NBBNUWVDOBKJGG-SJORKVTESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000612594493 491936900 /nfs/dbraw/zinc/93/69/00/491936900.db2.gz NBBNUWVDOBKJGG-SJORKVTESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612600798 491938087 /nfs/dbraw/zinc/93/80/87/491938087.db2.gz KQUFHSJJEYIVRD-KRWDZBQOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000602125564 491961690 /nfs/dbraw/zinc/96/16/90/491961690.db2.gz ZCBZHQIWXITCGS-KZNAEPCWSA-N 2 1 350.507 0.477 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957833 491965392 /nfs/dbraw/zinc/96/53/92/491965392.db2.gz XXUHHSRMEKUYMH-BXUZGUMPSA-N 2 1 351.369 0.624 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604173555 492052637 /nfs/dbraw/zinc/05/26/37/492052637.db2.gz OXIWSEOVOGZDIA-OAHLLOKOSA-N 2 1 351.495 0.513 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604173555 492052640 /nfs/dbraw/zinc/05/26/40/492052640.db2.gz OXIWSEOVOGZDIA-OAHLLOKOSA-N 2 1 351.495 0.513 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652235 492066903 /nfs/dbraw/zinc/06/69/03/492066903.db2.gz VAHDUIHZVASFSD-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604652235 492066904 /nfs/dbraw/zinc/06/69/04/492066904.db2.gz VAHDUIHZVASFSD-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604652235 492066906 /nfs/dbraw/zinc/06/69/06/492066906.db2.gz VAHDUIHZVASFSD-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000598241131 492090118 /nfs/dbraw/zinc/09/01/18/492090118.db2.gz CLYGUNOUVTWMKD-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)CCSCCC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000609521502 492211350 /nfs/dbraw/zinc/21/13/50/492211350.db2.gz KZLJAQMPTDEMDD-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCSCCC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000609521502 492211353 /nfs/dbraw/zinc/21/13/53/492211353.db2.gz KZLJAQMPTDEMDD-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCSCCC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000609521502 492211355 /nfs/dbraw/zinc/21/13/55/492211355.db2.gz KZLJAQMPTDEMDD-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000627427501 492292411 /nfs/dbraw/zinc/29/24/11/492292411.db2.gz GYMXOLUDGAEUQZ-RDJZCZTQSA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552653 492303456 /nfs/dbraw/zinc/30/34/56/492303456.db2.gz OPORLZAZMMLITI-ZWKOTPCHSA-N 2 1 358.486 0.822 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641778747 492303733 /nfs/dbraw/zinc/30/37/33/492303733.db2.gz XZVBQBYIURPZHU-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641784444 492305640 /nfs/dbraw/zinc/30/56/40/492305640.db2.gz SMQUUVWELRHNRS-KRWDZBQOSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641784444 492305645 /nfs/dbraw/zinc/30/56/45/492305645.db2.gz SMQUUVWELRHNRS-KRWDZBQOSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641784444 492305646 /nfs/dbraw/zinc/30/56/46/492305646.db2.gz SMQUUVWELRHNRS-KRWDZBQOSA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000620478558 492313229 /nfs/dbraw/zinc/31/32/29/492313229.db2.gz XYKDXCBFUBSAIT-KURKYZTESA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000620478558 492313230 /nfs/dbraw/zinc/31/32/30/492313230.db2.gz XYKDXCBFUBSAIT-KURKYZTESA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478558 492313231 /nfs/dbraw/zinc/31/32/31/492313231.db2.gz XYKDXCBFUBSAIT-KURKYZTESA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478558 492313232 /nfs/dbraw/zinc/31/32/32/492313232.db2.gz XYKDXCBFUBSAIT-KURKYZTESA-N 2 1 353.507 0.933 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568458 492316128 /nfs/dbraw/zinc/31/61/28/492316128.db2.gz MRQROOCLYSNVFH-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840654 492316457 /nfs/dbraw/zinc/31/64/57/492316457.db2.gz ASBSKHWDSMHZTP-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641840654 492316460 /nfs/dbraw/zinc/31/64/60/492316460.db2.gz ASBSKHWDSMHZTP-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641840654 492316464 /nfs/dbraw/zinc/31/64/64/492316464.db2.gz ASBSKHWDSMHZTP-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@@H+](C)C1 ZINC000647568839 492317726 /nfs/dbraw/zinc/31/77/26/492317726.db2.gz UXKDFQJJGZIHPN-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000647568839 492317728 /nfs/dbraw/zinc/31/77/28/492317728.db2.gz UXKDFQJJGZIHPN-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000647568839 492317732 /nfs/dbraw/zinc/31/77/32/492317732.db2.gz UXKDFQJJGZIHPN-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202083 492326225 /nfs/dbraw/zinc/32/62/25/492326225.db2.gz DOVHDKVSJHXZJK-DLBZAZTESA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202083 492326228 /nfs/dbraw/zinc/32/62/28/492326228.db2.gz DOVHDKVSJHXZJK-DLBZAZTESA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202083 492326231 /nfs/dbraw/zinc/32/62/31/492326231.db2.gz DOVHDKVSJHXZJK-DLBZAZTESA-N 2 1 355.527 0.421 20 0 FCADMP CN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000634226736 492327374 /nfs/dbraw/zinc/32/73/74/492327374.db2.gz CZYWDJVDABILSP-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC000627511499 492327655 /nfs/dbraw/zinc/32/76/55/492327655.db2.gz DDAPSMGCZPFEPL-CYBMUJFWSA-N 2 1 366.466 0.231 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000647593230 492329928 /nfs/dbraw/zinc/32/99/28/492329928.db2.gz FWADMQPJFWPWMX-LSDHHAIUSA-N 2 1 354.495 0.380 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000647597330 492332199 /nfs/dbraw/zinc/33/21/99/492332199.db2.gz DPNPAANIDGELII-HOTGVXAUSA-N 2 1 367.538 0.245 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000620772968 492334670 /nfs/dbraw/zinc/33/46/70/492334670.db2.gz PZTUVIJFPBZTKH-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642119460 492336753 /nfs/dbraw/zinc/33/67/53/492336753.db2.gz RPCWAYJGDJTONB-BZUAXINKSA-N 2 1 368.522 0.578 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@@H]1c1ccccc1 ZINC000642195274 492339892 /nfs/dbraw/zinc/33/98/92/492339892.db2.gz YAWVUXMUXHJJJG-OWLYRPNTSA-N 2 1 356.470 0.758 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642254037 492345269 /nfs/dbraw/zinc/34/52/69/492345269.db2.gz ZYOBDBGWUPOXPN-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253973 492346062 /nfs/dbraw/zinc/34/60/62/492346062.db2.gz USLSQYKDGBZBTN-FUHWJXTLSA-N 2 1 358.486 0.868 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCNC3=O)CC2)CC1 ZINC000654759129 492346978 /nfs/dbraw/zinc/34/69/78/492346978.db2.gz HOHKETQDZPJZSB-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000642262562 492347119 /nfs/dbraw/zinc/34/71/19/492347119.db2.gz BFWHTVFCBXIRDX-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330479 492352311 /nfs/dbraw/zinc/35/23/11/492352311.db2.gz MBHYTLPLMJKQHB-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000642394762 492356829 /nfs/dbraw/zinc/35/68/29/492356829.db2.gz TVGRYQYHXXNSOB-OKILXGFUSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000642394762 492356831 /nfs/dbraw/zinc/35/68/31/492356831.db2.gz TVGRYQYHXXNSOB-OKILXGFUSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642394720 492357298 /nfs/dbraw/zinc/35/72/98/492357298.db2.gz GDPCRAXODYHYKB-ZNMIVQPWSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642394720 492357301 /nfs/dbraw/zinc/35/73/01/492357301.db2.gz GDPCRAXODYHYKB-ZNMIVQPWSA-N 2 1 354.495 0.249 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000642522225 492361993 /nfs/dbraw/zinc/36/19/93/492361993.db2.gz UGIBCBXDCXPYCA-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000634709341 492362228 /nfs/dbraw/zinc/36/22/28/492362228.db2.gz HUAOTWDGMMDGFS-BJLQDIEVSA-N 2 1 361.486 0.849 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000634709341 492362231 /nfs/dbraw/zinc/36/22/31/492362231.db2.gz HUAOTWDGMMDGFS-BJLQDIEVSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640653 492368355 /nfs/dbraw/zinc/36/83/55/492368355.db2.gz FFKRFDSRNZYNEO-DZJNRPSUSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000647835297 492368377 /nfs/dbraw/zinc/36/83/77/492368377.db2.gz TXCRGBDZJGLVTK-UHFFFAOYSA-N 2 1 356.417 0.741 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000647835297 492368381 /nfs/dbraw/zinc/36/83/81/492368381.db2.gz TXCRGBDZJGLVTK-UHFFFAOYSA-N 2 1 356.417 0.741 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640690 492368449 /nfs/dbraw/zinc/36/84/49/492368449.db2.gz ISOVKRBOMSCCRY-YDZRNGNQSA-N 2 1 370.497 0.963 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640873 492369353 /nfs/dbraw/zinc/36/93/53/492369353.db2.gz HWZPKZGUVXSUTP-CEXWTWQISA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835821 492369778 /nfs/dbraw/zinc/36/97/78/492369778.db2.gz QDVSYOZSMZFKGR-AWEZNQCLSA-N 2 1 354.445 0.849 20 0 FCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835821 492369783 /nfs/dbraw/zinc/36/97/83/492369783.db2.gz QDVSYOZSMZFKGR-AWEZNQCLSA-N 2 1 354.445 0.849 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642680241 492372549 /nfs/dbraw/zinc/37/25/49/492372549.db2.gz KXPGDRSFAINFAE-RYQLBKOJSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000642685013 492372950 /nfs/dbraw/zinc/37/29/50/492372950.db2.gz HFNIHGVUMBMLPL-SOUVJXGZSA-N 2 1 362.474 0.375 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642693146 492374486 /nfs/dbraw/zinc/37/44/86/492374486.db2.gz XUKXCKPNMNJBTN-HNNXBMFYSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000642693146 492374490 /nfs/dbraw/zinc/37/44/90/492374490.db2.gz XUKXCKPNMNJBTN-HNNXBMFYSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000642693358 492374676 /nfs/dbraw/zinc/37/46/76/492374676.db2.gz RXKXOQKMLJCMHF-HIFRSBDPSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000642693358 492374677 /nfs/dbraw/zinc/37/46/77/492374677.db2.gz RXKXOQKMLJCMHF-HIFRSBDPSA-N 2 1 364.515 0.869 20 0 FCADMP c1nc(NCC[N@H+]2CCCOCC2)cnc1NCC[NH+]1CCCOCC1 ZINC000647879030 492376601 /nfs/dbraw/zinc/37/66/01/492376601.db2.gz LMMIJTGWWCTOHC-UHFFFAOYSA-N 2 1 364.494 0.745 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905664 492380434 /nfs/dbraw/zinc/38/04/34/492380434.db2.gz LLPAOFIXBGDPKV-BDXSIMOUSA-N 2 1 350.507 0.430 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000642732176 492383236 /nfs/dbraw/zinc/38/32/36/492383236.db2.gz RWDFJJRKVLNFLG-HOCLYGCPSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642750507 492385114 /nfs/dbraw/zinc/38/51/14/492385114.db2.gz NNQXRPSBVKZUIX-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642759506 492386340 /nfs/dbraw/zinc/38/63/40/492386340.db2.gz FVLRZRLXIMNJEP-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756643 492386676 /nfs/dbraw/zinc/38/66/76/492386676.db2.gz CXBSUFKPSIPVBX-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+]1CCCN(C(=O)c2cc[nH]c2CC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000635077870 492387762 /nfs/dbraw/zinc/38/77/62/492387762.db2.gz LUAJYYRWQLCSOY-UHFFFAOYSA-N 2 1 361.490 0.499 20 0 FCADMP C[NH+]1CCCN(C(=O)Cc2[nH]ccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000635077870 492387764 /nfs/dbraw/zinc/38/77/64/492387764.db2.gz LUAJYYRWQLCSOY-UHFFFAOYSA-N 2 1 361.490 0.499 20 0 FCADMP C[NH+]1CCCN(C(=O)Cc2[nH]ccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000635077870 492387765 /nfs/dbraw/zinc/38/77/65/492387765.db2.gz LUAJYYRWQLCSOY-UHFFFAOYSA-N 2 1 361.490 0.499 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975580 492389584 /nfs/dbraw/zinc/38/95/84/492389584.db2.gz CEBPFFZVDNMOCR-QZWWFDLISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975581 492389602 /nfs/dbraw/zinc/38/96/02/492389602.db2.gz CEBPFFZVDNMOCR-TWMKSMIVSA-N 2 1 350.507 0.810 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000642808947 492396828 /nfs/dbraw/zinc/39/68/28/492396828.db2.gz LSAQJKHXACRDEA-RDJZCZTQSA-N 2 1 362.449 0.584 20 0 FCADMP CN(C(=O)CCC(C)(C)[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152431 492409202 /nfs/dbraw/zinc/40/92/02/492409202.db2.gz DPAUBUYULSBUFX-UHFFFAOYSA-N 2 1 367.538 0.201 20 0 FCADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072468 492418296 /nfs/dbraw/zinc/41/82/96/492418296.db2.gz KVWRAVKAYLMKLM-HNAYVOBHSA-N 2 1 374.485 0.789 20 0 FCADMP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072468 492418298 /nfs/dbraw/zinc/41/82/98/492418298.db2.gz KVWRAVKAYLMKLM-HNAYVOBHSA-N 2 1 374.485 0.789 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)CCC(F)(F)F ZINC000621841306 492423331 /nfs/dbraw/zinc/42/33/31/492423331.db2.gz UAJRZIKOEHFLPL-IUODEOHRSA-N 2 1 364.412 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)CCC(F)(F)F ZINC000621841306 492423332 /nfs/dbraw/zinc/42/33/32/492423332.db2.gz UAJRZIKOEHFLPL-IUODEOHRSA-N 2 1 364.412 0.717 20 0 FCADMP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(C)n1 ZINC000643233446 492433138 /nfs/dbraw/zinc/43/31/38/492433138.db2.gz ARCDTFSKWLDDPV-SFHVURJKSA-N 2 1 361.490 0.904 20 0 FCADMP Cc1cc(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc(C)n1 ZINC000643233446 492433140 /nfs/dbraw/zinc/43/31/40/492433140.db2.gz ARCDTFSKWLDDPV-SFHVURJKSA-N 2 1 361.490 0.904 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000621992152 492438503 /nfs/dbraw/zinc/43/85/03/492438503.db2.gz OAHHWEFAJLLYRS-QGZVFWFLSA-N 2 1 374.485 0.886 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026537 492442832 /nfs/dbraw/zinc/44/28/32/492442832.db2.gz MDKQKNLZXNNEKI-VQIMIIECSA-N 2 1 350.507 0.905 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)CC2)c1 ZINC000622026047 492442864 /nfs/dbraw/zinc/44/28/64/492442864.db2.gz CFJQRGVWSJSUGY-KXBFYZLASA-N 2 1 357.458 0.378 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[N@@H+]1CCOC ZINC000622029515 492444078 /nfs/dbraw/zinc/44/40/78/492444078.db2.gz HMBDXIUGWMFIHY-FCEWJHQRSA-N 2 1 366.506 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[N@H+]1CCOC ZINC000622029515 492444081 /nfs/dbraw/zinc/44/40/81/492444081.db2.gz HMBDXIUGWMFIHY-FCEWJHQRSA-N 2 1 366.506 0.286 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622031799 492445657 /nfs/dbraw/zinc/44/56/57/492445657.db2.gz UGVFZJBQSXEAAV-HNAYVOBHSA-N 2 1 362.474 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000648758373 492451736 /nfs/dbraw/zinc/45/17/36/492451736.db2.gz QMMMBXDGRXIMMO-SJLPKXTDSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000648758373 492451740 /nfs/dbraw/zinc/45/17/40/492451740.db2.gz QMMMBXDGRXIMMO-SJLPKXTDSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](O)C3)ccc21 ZINC000628106124 492468348 /nfs/dbraw/zinc/46/83/48/492468348.db2.gz XULKCJAGJLMQRN-DOTOQJQBSA-N 2 1 360.458 0.357 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635571791 492475121 /nfs/dbraw/zinc/47/51/21/492475121.db2.gz CRBGQWZPSMLOEX-FUHWJXTLSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635571791 492475123 /nfs/dbraw/zinc/47/51/23/492475123.db2.gz CRBGQWZPSMLOEX-FUHWJXTLSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635571791 492475126 /nfs/dbraw/zinc/47/51/26/492475126.db2.gz CRBGQWZPSMLOEX-FUHWJXTLSA-N 2 1 350.507 0.526 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCO)CCOCCO)CC2)CC1 ZINC000628174983 492477154 /nfs/dbraw/zinc/47/71/54/492477154.db2.gz FTAIQVMZSLAKOJ-UHFFFAOYSA-N 2 1 371.522 0.013 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000643484611 492477811 /nfs/dbraw/zinc/47/78/11/492477811.db2.gz HSVQKVRXXSQMBN-GOSISDBHSA-N 2 1 358.486 0.850 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484270 492478318 /nfs/dbraw/zinc/47/83/18/492478318.db2.gz MIIPZNNZSWQJBQ-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733892 492478605 /nfs/dbraw/zinc/47/86/05/492478605.db2.gz UTEXEQPYFLQWAO-HYVNUMGLSA-N 2 1 359.536 0.937 20 0 FCADMP CCS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655753914 492479337 /nfs/dbraw/zinc/47/93/37/492479337.db2.gz CKGMBBVFKNHKDP-QGZVFWFLSA-N 2 1 359.536 0.891 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000643492469 492480516 /nfs/dbraw/zinc/48/05/16/492480516.db2.gz ZRVSQHBFZRCSOG-JYJNAYRXSA-N 2 1 357.458 0.234 20 0 FCADMP O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000643490699 492480606 /nfs/dbraw/zinc/48/06/06/492480606.db2.gz IXGYRQXDFOALMB-ZWKOTPCHSA-N 2 1 362.518 0.779 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643494169 492481837 /nfs/dbraw/zinc/48/18/37/492481837.db2.gz NHNJDWONXMFXKY-GOEBONIOSA-N 2 1 354.495 0.140 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000643500442 492483110 /nfs/dbraw/zinc/48/31/10/492483110.db2.gz WGDXMEJPKKFXCR-ZWKOTPCHSA-N 2 1 358.486 0.882 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643513590 492486742 /nfs/dbraw/zinc/48/67/42/492486742.db2.gz QYJMDCQGHGEYGW-IRXDYDNUSA-N 2 1 367.538 0.057 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643530753 492491292 /nfs/dbraw/zinc/49/12/92/492491292.db2.gz OIERQEORPOYMDF-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643531924 492492050 /nfs/dbraw/zinc/49/20/50/492492050.db2.gz WYUWGYRYSXGOBH-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643540881 492494802 /nfs/dbraw/zinc/49/48/02/492494802.db2.gz DLAFQIXSERNFFU-QRQLOZEOSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)[C@@H]2C1 ZINC000643549991 492497813 /nfs/dbraw/zinc/49/78/13/492497813.db2.gz OAHYACVRLAZESH-OIISXLGYSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643549935 492498003 /nfs/dbraw/zinc/49/80/03/492498003.db2.gz BVIUXGKLUJQYKL-AETAKHFUSA-N 2 1 374.460 0.631 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655976133 492499585 /nfs/dbraw/zinc/49/95/85/492499585.db2.gz ZMKRDQKESGFKAH-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970268 492499850 /nfs/dbraw/zinc/49/98/50/492499850.db2.gz GTTQZQPHAKHNSP-NXOAAHMSSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970268 492499854 /nfs/dbraw/zinc/49/98/54/492499854.db2.gz GTTQZQPHAKHNSP-NXOAAHMSSA-N 2 1 353.511 0.173 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643590212 492501789 /nfs/dbraw/zinc/50/17/89/492501789.db2.gz FOHDVAJEHXTZRL-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643590212 492501792 /nfs/dbraw/zinc/50/17/92/492501792.db2.gz FOHDVAJEHXTZRL-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000643591522 492501913 /nfs/dbraw/zinc/50/19/13/492501913.db2.gz DECXCMNJOCEEPS-CVEARBPZSA-N 2 1 357.458 0.392 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000649291847 492523847 /nfs/dbraw/zinc/52/38/47/492523847.db2.gz VYVGNNLOLXYMEO-DZFIZOCASA-N 2 1 372.469 0.429 20 0 FCADMP CCC(C)(C)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000656069761 492531570 /nfs/dbraw/zinc/53/15/70/492531570.db2.gz OMWXMGOLLBIDBZ-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)CC1 ZINC000649324135 492533623 /nfs/dbraw/zinc/53/36/23/492533623.db2.gz YQOMBNVBANRULB-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000656084134 492545696 /nfs/dbraw/zinc/54/56/96/492545696.db2.gz VGNPEGIUUFOLBK-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000656084136 492546014 /nfs/dbraw/zinc/54/60/14/492546014.db2.gz VGNPEGIUUFOLBK-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354744 492546754 /nfs/dbraw/zinc/54/67/54/492546754.db2.gz IOUZZWZIPNHPFN-WBVHZDCISA-N 2 1 371.485 0.999 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC[C@@H]1[NH3+] ZINC000649358933 492547244 /nfs/dbraw/zinc/54/72/44/492547244.db2.gz JFDQBBCMBRENHW-VQHPVUNQSA-N 2 1 350.507 0.905 20 0 FCADMP Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000649411124 492552303 /nfs/dbraw/zinc/55/23/03/492552303.db2.gz UIYPWKXIHBBPBU-UHFFFAOYSA-N 2 1 359.518 0.765 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656261187 492567479 /nfs/dbraw/zinc/56/74/79/492567479.db2.gz DZQGQTGRVPGBJM-BHYGNILZSA-N 2 1 359.536 0.937 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656261188 492567731 /nfs/dbraw/zinc/56/77/31/492567731.db2.gz DZQGQTGRVPGBJM-DJIMGWMZSA-N 2 1 359.536 0.937 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000636282402 492575016 /nfs/dbraw/zinc/57/50/16/492575016.db2.gz KUDKEAOTRIZODK-SFFUCWETSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000636282402 492575020 /nfs/dbraw/zinc/57/50/20/492575020.db2.gz KUDKEAOTRIZODK-SFFUCWETSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000636282402 492575024 /nfs/dbraw/zinc/57/50/24/492575024.db2.gz KUDKEAOTRIZODK-SFFUCWETSA-N 2 1 351.491 0.950 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289635 492576337 /nfs/dbraw/zinc/57/63/37/492576337.db2.gz XQRBOJOROJLBPW-IAGOWNOFSA-N 2 1 351.491 0.953 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656301136 492578624 /nfs/dbraw/zinc/57/86/24/492578624.db2.gz HVDMFLSMHMDBOW-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357578 492612086 /nfs/dbraw/zinc/61/20/86/492612086.db2.gz ZMLLTTGCJXWWCG-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656357578 492612088 /nfs/dbraw/zinc/61/20/88/492612088.db2.gz ZMLLTTGCJXWWCG-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656357578 492612092 /nfs/dbraw/zinc/61/20/92/492612092.db2.gz ZMLLTTGCJXWWCG-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000629419657 492624623 /nfs/dbraw/zinc/62/46/23/492624623.db2.gz QUMBSVARSXPFCJ-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP O=C(C1CCCCC1)N1CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629569140 492647868 /nfs/dbraw/zinc/64/78/68/492647868.db2.gz WGHRBJRJOFFGDW-IBGZPJMESA-N 2 1 366.550 0.757 20 0 FCADMP CN(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000629578545 492655889 /nfs/dbraw/zinc/65/58/89/492655889.db2.gz QOZHOJRXZDMQSG-OAHLLOKOSA-N 2 1 359.467 0.493 20 0 FCADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629578818 492655970 /nfs/dbraw/zinc/65/59/70/492655970.db2.gz HEADNZZHMVIWMF-KGLIPLIRSA-N 2 1 351.447 0.931 20 0 FCADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707093 492663543 /nfs/dbraw/zinc/66/35/43/492663543.db2.gz YICJULYDGDLHNG-OTWHNJEPSA-N 2 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707093 492663546 /nfs/dbraw/zinc/66/35/46/492663546.db2.gz YICJULYDGDLHNG-OTWHNJEPSA-N 3 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707093 492663549 /nfs/dbraw/zinc/66/35/49/492663549.db2.gz YICJULYDGDLHNG-OTWHNJEPSA-N 3 1 374.533 0.947 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)cc1 ZINC000650705430 492664071 /nfs/dbraw/zinc/66/40/71/492664071.db2.gz GQBMTDQNXFHLCK-IAGOWNOFSA-N 2 1 350.438 0.889 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(F)cc1 ZINC000650705430 492664074 /nfs/dbraw/zinc/66/40/74/492664074.db2.gz GQBMTDQNXFHLCK-IAGOWNOFSA-N 2 1 350.438 0.889 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226422 492672686 /nfs/dbraw/zinc/67/26/86/492672686.db2.gz ITSTYYXLLZUWPJ-CEXWTWQISA-N 2 1 370.497 0.917 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226427 492672726 /nfs/dbraw/zinc/67/27/26/492672726.db2.gz ITSTYYXLLZUWPJ-GBESFXJTSA-N 2 1 370.497 0.917 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629799430 492677770 /nfs/dbraw/zinc/67/77/70/492677770.db2.gz PYCPNJUTVGHFPU-UHFFFAOYSA-N 2 1 364.446 0.194 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000629799072 492677797 /nfs/dbraw/zinc/67/77/97/492677797.db2.gz DVIFWHWYYMTMJW-QGZVFWFLSA-N 2 1 362.474 0.153 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000629801144 492679161 /nfs/dbraw/zinc/67/91/61/492679161.db2.gz HQSLNKXQGNSUBD-HDICACEKSA-N 2 1 374.485 0.011 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000629810992 492683851 /nfs/dbraw/zinc/68/38/51/492683851.db2.gz AHXRFPBACKCHDA-FQEVSTJZSA-N 2 1 358.486 0.918 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC000629813264 492684657 /nfs/dbraw/zinc/68/46/57/492684657.db2.gz IRMZRWMTYQSZNS-VOAKCMCISA-N 2 1 362.396 0.135 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](O)C2)C1 ZINC000644276164 492688404 /nfs/dbraw/zinc/68/84/04/492688404.db2.gz XGCZJLYZQQTERS-TVFCKZIOSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)C1 ZINC000644276164 492688406 /nfs/dbraw/zinc/68/84/06/492688406.db2.gz XGCZJLYZQQTERS-TVFCKZIOSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)C1 ZINC000644276164 492688409 /nfs/dbraw/zinc/68/84/09/492688409.db2.gz XGCZJLYZQQTERS-TVFCKZIOSA-N 2 1 368.522 0.630 20 0 FCADMP CN(C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793821 492695081 /nfs/dbraw/zinc/69/50/81/492695081.db2.gz GZKWEINQQKVCJG-WFASDCNBSA-N 2 1 356.417 0.933 20 0 FCADMP CN(C)[C@@H](CNC(=O)NCCN1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793821 492695082 /nfs/dbraw/zinc/69/50/82/492695082.db2.gz GZKWEINQQKVCJG-WFASDCNBSA-N 2 1 356.417 0.933 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000636939825 492733133 /nfs/dbraw/zinc/73/31/33/492733133.db2.gz GRYRZYGFQCFATK-YESZJQIVSA-N 2 1 354.495 0.120 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000637036505 492755626 /nfs/dbraw/zinc/75/56/26/492755626.db2.gz LCHQRXWFYMUMLG-QZTJIDSGSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000637036505 492755627 /nfs/dbraw/zinc/75/56/27/492755627.db2.gz LCHQRXWFYMUMLG-QZTJIDSGSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000637036505 492755629 /nfs/dbraw/zinc/75/56/29/492755629.db2.gz LCHQRXWFYMUMLG-QZTJIDSGSA-N 2 1 362.474 0.119 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439645 492757435 /nfs/dbraw/zinc/75/74/35/492757435.db2.gz RXYPCLOBHOYUCN-IEBWSBKVSA-N 2 1 370.538 0.976 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000644589274 492789249 /nfs/dbraw/zinc/78/92/49/492789249.db2.gz MGJDLVFQYWFLJX-IRXDYDNUSA-N 2 1 359.474 0.822 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000644589274 492789252 /nfs/dbraw/zinc/78/92/52/492789252.db2.gz MGJDLVFQYWFLJX-IRXDYDNUSA-N 2 1 359.474 0.822 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CC(=O)N(C(C)(C)C)C3)cn2)CC1 ZINC000657754791 492790793 /nfs/dbraw/zinc/79/07/93/492790793.db2.gz XXALHGGACBCMHZ-HNNXBMFYSA-N 2 1 360.506 0.965 20 0 FCADMP CCn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000657833543 492800135 /nfs/dbraw/zinc/80/01/35/492800135.db2.gz GXOKGXLBLNDSTA-OAHLLOKOSA-N 2 1 364.494 0.716 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625516613 492806505 /nfs/dbraw/zinc/80/65/05/492806505.db2.gz CZVZMAARWHGVOW-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625516613 492806508 /nfs/dbraw/zinc/80/65/08/492806508.db2.gz CZVZMAARWHGVOW-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625516613 492806513 /nfs/dbraw/zinc/80/65/13/492806513.db2.gz CZVZMAARWHGVOW-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625516613 492806515 /nfs/dbraw/zinc/80/65/15/492806515.db2.gz CZVZMAARWHGVOW-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+](C2CC2)C1 ZINC000637373152 492813363 /nfs/dbraw/zinc/81/33/63/492813363.db2.gz NDZIKCCUWHZAMP-HOCLYGCPSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+](C2CC2)C1 ZINC000637373152 492813367 /nfs/dbraw/zinc/81/33/67/492813367.db2.gz NDZIKCCUWHZAMP-HOCLYGCPSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+](C2CC2)C1 ZINC000637373152 492813370 /nfs/dbraw/zinc/81/33/70/492813370.db2.gz NDZIKCCUWHZAMP-HOCLYGCPSA-N 2 1 351.495 0.452 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000637392473 492818371 /nfs/dbraw/zinc/81/83/71/492818371.db2.gz XVYMJXRGHLRVLD-FGTMMUONSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000637392473 492818374 /nfs/dbraw/zinc/81/83/74/492818374.db2.gz XVYMJXRGHLRVLD-FGTMMUONSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000637392473 492818378 /nfs/dbraw/zinc/81/83/78/492818378.db2.gz XVYMJXRGHLRVLD-FGTMMUONSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000637392473 492818382 /nfs/dbraw/zinc/81/83/82/492818382.db2.gz XVYMJXRGHLRVLD-FGTMMUONSA-N 2 1 374.485 0.730 20 0 FCADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000645031993 492841163 /nfs/dbraw/zinc/84/11/63/492841163.db2.gz JWXCFWMWRBOGCB-DZGCQCFKSA-N 2 1 354.414 0.758 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000645031993 492841168 /nfs/dbraw/zinc/84/11/68/492841168.db2.gz JWXCFWMWRBOGCB-DZGCQCFKSA-N 2 1 354.414 0.758 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637664542 492856939 /nfs/dbraw/zinc/85/69/39/492856939.db2.gz RHMFSJGKWNBNAJ-AWEZNQCLSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849583 492863075 /nfs/dbraw/zinc/86/30/75/492863075.db2.gz NRXJPIJJMPIWTO-MNEFBYGVSA-N 2 1 358.486 0.570 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631858045 492864394 /nfs/dbraw/zinc/86/43/94/492864394.db2.gz QYUZXRPHYBFPHB-IAGOWNOFSA-N 2 1 372.579 0.901 20 0 FCADMP C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631926852 492887750 /nfs/dbraw/zinc/88/77/50/492887750.db2.gz KBHDNKQQOMNZDL-GASCZTMLSA-N 2 1 362.540 0.394 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631926852 492887753 /nfs/dbraw/zinc/88/77/53/492887753.db2.gz KBHDNKQQOMNZDL-GASCZTMLSA-N 2 1 362.540 0.394 20 0 FCADMP CCCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645276849 492888219 /nfs/dbraw/zinc/88/82/19/492888219.db2.gz IWWQQDAIUOIFLJ-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CCCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645276849 492888221 /nfs/dbraw/zinc/88/82/21/492888221.db2.gz IWWQQDAIUOIFLJ-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652154392 492888542 /nfs/dbraw/zinc/88/85/42/492888542.db2.gz DKKREGWUHDECPI-YVSFHVDLSA-N 2 1 354.495 0.635 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000631928156 492889350 /nfs/dbraw/zinc/88/93/50/492889350.db2.gz ROIUNSKSPGSYOH-WMLDXEAASA-N 2 1 356.536 0.864 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652200603 492894602 /nfs/dbraw/zinc/89/46/02/492894602.db2.gz CMHOMLHJFIVMMN-LJQANCHMSA-N 2 1 359.518 0.850 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652200603 492894604 /nfs/dbraw/zinc/89/46/04/492894604.db2.gz CMHOMLHJFIVMMN-LJQANCHMSA-N 2 1 359.518 0.850 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000652199507 492894741 /nfs/dbraw/zinc/89/47/41/492894741.db2.gz UGOYVJVKYBECJV-UHFFFAOYSA-N 2 1 354.495 0.557 20 0 FCADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348598 492913016 /nfs/dbraw/zinc/91/30/16/492913016.db2.gz JUXLDSGVPCFAOW-HRCADAONSA-N 2 1 363.524 0.161 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348166 492913320 /nfs/dbraw/zinc/91/33/20/492913320.db2.gz WGJJZDMOODWHLC-JSRQGNBESA-N 2 1 366.506 0.317 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCOc1ccc3c(c1)OCO3)C2 ZINC000652351944 492914779 /nfs/dbraw/zinc/91/47/79/492914779.db2.gz KYUWFBCXXMOMDW-LIRRHRJNSA-N 2 1 361.442 0.971 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCOc1ccc3c(c1)OCO3)C2 ZINC000652351944 492914783 /nfs/dbraw/zinc/91/47/83/492914783.db2.gz KYUWFBCXXMOMDW-LIRRHRJNSA-N 2 1 361.442 0.971 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)CN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000638137356 492915774 /nfs/dbraw/zinc/91/57/74/492915774.db2.gz JAHNKJRIEBJQIT-LJQANCHMSA-N 2 1 359.518 0.387 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)CN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000638137356 492915776 /nfs/dbraw/zinc/91/57/76/492915776.db2.gz JAHNKJRIEBJQIT-LJQANCHMSA-N 2 1 359.518 0.387 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)CN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000638137356 492915778 /nfs/dbraw/zinc/91/57/78/492915778.db2.gz JAHNKJRIEBJQIT-LJQANCHMSA-N 2 1 359.518 0.387 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000638137085 492915812 /nfs/dbraw/zinc/91/58/12/492915812.db2.gz RDXRGXVUJHHVKI-ICSRJNTNSA-N 2 1 360.502 0.817 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)CN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000638137355 492915841 /nfs/dbraw/zinc/91/58/41/492915841.db2.gz JAHNKJRIEBJQIT-IBGZPJMESA-N 2 1 359.518 0.387 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)CN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000638137355 492915844 /nfs/dbraw/zinc/91/58/44/492915844.db2.gz JAHNKJRIEBJQIT-IBGZPJMESA-N 2 1 359.518 0.387 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)CN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000638137355 492915846 /nfs/dbraw/zinc/91/58/46/492915846.db2.gz JAHNKJRIEBJQIT-IBGZPJMESA-N 2 1 359.518 0.387 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000652447846 492934643 /nfs/dbraw/zinc/93/46/43/492934643.db2.gz GKNDYDLACOXGCP-UHFFFAOYSA-N 2 1 368.522 0.236 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000638346517 492938374 /nfs/dbraw/zinc/93/83/74/492938374.db2.gz XXAJBIOZGXWFLD-SFHVURJKSA-N 3 1 360.502 0.946 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000632149449 492939911 /nfs/dbraw/zinc/93/99/11/492939911.db2.gz WALTWGZIKJEYJD-QZTJIDSGSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000632149449 492939913 /nfs/dbraw/zinc/93/99/13/492939913.db2.gz WALTWGZIKJEYJD-QZTJIDSGSA-N 2 1 369.531 0.741 20 0 FCADMP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447615 492948115 /nfs/dbraw/zinc/94/81/15/492948115.db2.gz HMCPYFCPZMRTQM-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447615 492948121 /nfs/dbraw/zinc/94/81/21/492948121.db2.gz HMCPYFCPZMRTQM-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447617 492948361 /nfs/dbraw/zinc/94/83/61/492948361.db2.gz HMCPYFCPZMRTQM-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447617 492948367 /nfs/dbraw/zinc/94/83/67/492948367.db2.gz HMCPYFCPZMRTQM-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638837087 492981477 /nfs/dbraw/zinc/98/14/77/492981477.db2.gz XVCMZHSBKAHPPQ-NXHRZFHOSA-N 2 1 358.486 0.739 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645869688 492985827 /nfs/dbraw/zinc/98/58/27/492985827.db2.gz OUTRXUANFBSXKB-HNNXBMFYSA-N 2 1 361.490 0.730 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949243 492988844 /nfs/dbraw/zinc/98/88/44/492988844.db2.gz ZJUZUDVAKHYKFZ-VQHPVUNQSA-N 2 1 350.507 0.953 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652702332 492994709 /nfs/dbraw/zinc/99/47/09/492994709.db2.gz VEVVTKJVRUBDCM-NQIIRXRSSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652702332 492994712 /nfs/dbraw/zinc/99/47/12/492994712.db2.gz VEVVTKJVRUBDCM-NQIIRXRSSA-N 2 1 372.513 0.878 20 0 FCADMP CO[C@@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000639169543 493000682 /nfs/dbraw/zinc/00/06/82/493000682.db2.gz LGVVWXGUTDQDNO-SFHVURJKSA-N 2 1 353.507 0.914 20 0 FCADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009584 493001465 /nfs/dbraw/zinc/00/14/65/493001465.db2.gz VOFCQQQCXGEVNE-FBVQUNGASA-N 2 1 350.507 0.430 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000646057443 493008598 /nfs/dbraw/zinc/00/85/98/493008598.db2.gz AWMBAQPXOQFPJM-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000646057443 493008601 /nfs/dbraw/zinc/00/86/01/493008601.db2.gz AWMBAQPXOQFPJM-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736363 493011911 /nfs/dbraw/zinc/01/19/11/493011911.db2.gz FALKEHKITUNXCK-CEXWTWQISA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736363 493011916 /nfs/dbraw/zinc/01/19/16/493011916.db2.gz FALKEHKITUNXCK-CEXWTWQISA-N 2 1 372.513 0.958 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737091 493013061 /nfs/dbraw/zinc/01/30/61/493013061.db2.gz ZAGKTDUTECUUIZ-QZTJIDSGSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737091 493013069 /nfs/dbraw/zinc/01/30/69/493013069.db2.gz ZAGKTDUTECUUIZ-QZTJIDSGSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652736835 493013486 /nfs/dbraw/zinc/01/34/86/493013486.db2.gz QNXPVUUAMDOJMS-IBGZPJMESA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652736835 493013488 /nfs/dbraw/zinc/01/34/88/493013488.db2.gz QNXPVUUAMDOJMS-IBGZPJMESA-N 2 1 372.513 0.830 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000632533684 493022561 /nfs/dbraw/zinc/02/25/61/493022561.db2.gz BGUVLSNUBZHRFK-UHFFFAOYSA-N 2 1 372.579 0.904 20 0 FCADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CCO1 ZINC000658712394 493023212 /nfs/dbraw/zinc/02/32/12/493023212.db2.gz VHPFEHZGEAWSQG-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[N@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616673 493023568 /nfs/dbraw/zinc/02/35/68/493023568.db2.gz CJOAXUZSQKHQJM-RTBURBONSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616673 493023572 /nfs/dbraw/zinc/02/35/72/493023572.db2.gz CJOAXUZSQKHQJM-RTBURBONSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616673 493023573 /nfs/dbraw/zinc/02/35/73/493023573.db2.gz CJOAXUZSQKHQJM-RTBURBONSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616673 493023576 /nfs/dbraw/zinc/02/35/76/493023576.db2.gz CJOAXUZSQKHQJM-RTBURBONSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616673 493023579 /nfs/dbraw/zinc/02/35/79/493023579.db2.gz CJOAXUZSQKHQJM-RTBURBONSA-N 2 1 358.442 0.297 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000658778979 493052485 /nfs/dbraw/zinc/05/24/85/493052485.db2.gz QONPMYUGKPDRFL-CQSZACIVSA-N 2 1 362.478 0.689 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124981 493075999 /nfs/dbraw/zinc/07/59/99/493075999.db2.gz ONNCQOARSGBCSM-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000653124858 493076062 /nfs/dbraw/zinc/07/60/62/493076062.db2.gz JHFZNYTYBRUBPD-OALUTQOASA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000653124858 493076066 /nfs/dbraw/zinc/07/60/66/493076066.db2.gz JHFZNYTYBRUBPD-OALUTQOASA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000653124858 493076069 /nfs/dbraw/zinc/07/60/69/493076069.db2.gz JHFZNYTYBRUBPD-OALUTQOASA-N 2 1 361.534 0.760 20 0 FCADMP C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)[C@@H](Cc2ccccc2)C1 ZINC000653254561 493086747 /nfs/dbraw/zinc/08/67/47/493086747.db2.gz UYQHVCILTSAOSO-SJORKVTESA-N 2 1 354.458 0.811 20 0 FCADMP C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)[C@@H](Cc2ccccc2)C1 ZINC000653254561 493086752 /nfs/dbraw/zinc/08/67/52/493086752.db2.gz UYQHVCILTSAOSO-SJORKVTESA-N 2 1 354.458 0.811 20 0 FCADMP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000646765474 493092053 /nfs/dbraw/zinc/09/20/53/493092053.db2.gz BZHQSOZBIAMJKN-HNNXBMFYSA-N 2 1 350.467 0.326 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000632879615 493094120 /nfs/dbraw/zinc/09/41/20/493094120.db2.gz SVMWGVAWUQZNRY-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000646802120 493098816 /nfs/dbraw/zinc/09/88/16/493098816.db2.gz ICVHQDMVCJQQTL-OAHLLOKOSA-N 2 1 370.461 0.460 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000633037237 493107469 /nfs/dbraw/zinc/10/74/69/493107469.db2.gz LOHIAVZIRDXFGI-FMKPAKJESA-N 2 1 360.458 0.966 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640533833 493113347 /nfs/dbraw/zinc/11/33/47/493113347.db2.gz WXKVDPVIAUMFMU-UHFFFAOYSA-N 2 1 357.524 0.896 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633079354 493116989 /nfs/dbraw/zinc/11/69/89/493116989.db2.gz WJXPHTLJACUPIG-ROUUACIJSA-N 2 1 356.470 0.602 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000633080205 493117805 /nfs/dbraw/zinc/11/78/05/493117805.db2.gz BBOYEEPLUKIRRT-KSZLIROESA-N 2 1 356.470 0.682 20 0 FCADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627258117 493120252 /nfs/dbraw/zinc/12/02/52/493120252.db2.gz UVAIWANJZRLXJE-QRVBRYPASA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258117 493120256 /nfs/dbraw/zinc/12/02/56/493120256.db2.gz UVAIWANJZRLXJE-QRVBRYPASA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258117 493120260 /nfs/dbraw/zinc/12/02/60/493120260.db2.gz UVAIWANJZRLXJE-QRVBRYPASA-N 2 1 358.486 0.961 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633099927 493125219 /nfs/dbraw/zinc/12/52/19/493125219.db2.gz SNAAXJQNTQFJQV-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)N3CCc4ccccc43)nn2)CC1 ZINC000640761705 493128639 /nfs/dbraw/zinc/12/86/39/493128639.db2.gz XOCGMIKZPNVDSX-UHFFFAOYSA-N 2 1 354.458 0.833 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312501 493146320 /nfs/dbraw/zinc/14/63/20/493146320.db2.gz ZXJLPHVXCKVTOD-DJIMGWMZSA-N 2 1 360.458 0.043 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312475 493146375 /nfs/dbraw/zinc/14/63/75/493146375.db2.gz ZKLBQGNKPBUMDL-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000627325394 493153940 /nfs/dbraw/zinc/15/39/40/493153940.db2.gz IASSTBORECJVQT-MDZLAQPJSA-N 2 1 362.396 0.325 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000627325678 493154681 /nfs/dbraw/zinc/15/46/81/493154681.db2.gz QWTWBTGLEJYTDU-CQSZACIVSA-N 2 1 352.504 0.884 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627329359 493156479 /nfs/dbraw/zinc/15/64/79/493156479.db2.gz IFTIABBQTICHRY-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627356345 493172998 /nfs/dbraw/zinc/17/29/98/493172998.db2.gz FDAUSJPMFZWNLA-KURKYZTESA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627356345 493173002 /nfs/dbraw/zinc/17/30/02/493173002.db2.gz FDAUSJPMFZWNLA-KURKYZTESA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccccc1OC[C@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641192472 493178365 /nfs/dbraw/zinc/17/83/65/493178365.db2.gz AAZOOBDEDDGJQJ-GOSISDBHSA-N 2 1 359.474 0.992 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220166 493184247 /nfs/dbraw/zinc/18/42/47/493184247.db2.gz ABQCPZQZWRZJLV-GDBMZVCRSA-N 2 1 353.854 0.919 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659490627 493195005 /nfs/dbraw/zinc/19/50/05/493195005.db2.gz ZIQIHUPKEFACHZ-OAHLLOKOSA-N 2 1 370.457 0.962 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638248 493221620 /nfs/dbraw/zinc/22/16/20/493221620.db2.gz RJBJQUOHWNAVEV-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638248 493221624 /nfs/dbraw/zinc/22/16/24/493221624.db2.gz RJBJQUOHWNAVEV-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659630226 493223540 /nfs/dbraw/zinc/22/35/40/493223540.db2.gz HHKZROAIGSPUTO-UHFFFAOYSA-N 2 1 357.418 0.376 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000659629678 493223976 /nfs/dbraw/zinc/22/39/76/493223976.db2.gz ZBTKGUNCOFYOIA-UHFFFAOYSA-N 2 1 356.430 0.668 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630220 493224056 /nfs/dbraw/zinc/22/40/56/493224056.db2.gz GXOQQHRKBNGBQD-WFASDCNBSA-N 2 1 360.462 0.799 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659633085 493226056 /nfs/dbraw/zinc/22/60/56/493226056.db2.gz PIBWDBCPKBWCOK-UHFFFAOYSA-N 2 1 370.457 0.977 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000672699820 493236159 /nfs/dbraw/zinc/23/61/59/493236159.db2.gz JRJMJNWLBIDDAZ-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000672699820 493236163 /nfs/dbraw/zinc/23/61/63/493236163.db2.gz JRJMJNWLBIDDAZ-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000666976180 493244164 /nfs/dbraw/zinc/24/41/64/493244164.db2.gz DBASDCOEOXZKAB-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)CCC(F)(F)F ZINC000659689464 493254461 /nfs/dbraw/zinc/25/44/61/493254461.db2.gz DPJXYPLDRDOBSN-UHFFFAOYSA-N 2 1 352.401 0.765 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)CCC(F)(F)F ZINC000659689464 493254463 /nfs/dbraw/zinc/25/44/63/493254463.db2.gz DPJXYPLDRDOBSN-UHFFFAOYSA-N 2 1 352.401 0.765 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[N@H+]1C1CC1 ZINC000659694534 493257655 /nfs/dbraw/zinc/25/76/55/493257655.db2.gz VJDKZRHVEVDHFD-PVAVHDDUSA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854796 493258843 /nfs/dbraw/zinc/25/88/43/493258843.db2.gz KWXQBURMNOILTM-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000659700914 493261602 /nfs/dbraw/zinc/26/16/02/493261602.db2.gz ASKKLNDZJVNRRB-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000682092919 493268838 /nfs/dbraw/zinc/26/88/38/493268838.db2.gz DMHTZBKUSUXGKZ-RHSMWYFYSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000682092919 493268841 /nfs/dbraw/zinc/26/88/41/493268841.db2.gz DMHTZBKUSUXGKZ-RHSMWYFYSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719539 493270846 /nfs/dbraw/zinc/27/08/46/493270846.db2.gz YSVHTLXLYQMFGP-SQWLQELKSA-N 2 1 366.506 0.739 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000659732251 493277274 /nfs/dbraw/zinc/27/72/74/493277274.db2.gz UMWRDULORCUKPT-CEXWTWQISA-N 2 1 370.497 0.978 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CCO1 ZINC000667397754 493281641 /nfs/dbraw/zinc/28/16/41/493281641.db2.gz GZGCQZGFMRCUAD-XHDPSFHLSA-N 2 1 368.865 0.915 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812649 493303256 /nfs/dbraw/zinc/30/32/56/493303256.db2.gz SIYYEHATPXBHSD-LSDHHAIUSA-N 2 1 362.540 0.189 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673381434 493324045 /nfs/dbraw/zinc/32/40/45/493324045.db2.gz HRCZIIIHVNQBMG-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673381434 493324048 /nfs/dbraw/zinc/32/40/48/493324048.db2.gz HRCZIIIHVNQBMG-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668511533 493368220 /nfs/dbraw/zinc/36/82/20/493368220.db2.gz JCRGDTDSMLXQAM-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668511533 493368223 /nfs/dbraw/zinc/36/82/23/493368223.db2.gz JCRGDTDSMLXQAM-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668511533 493368226 /nfs/dbraw/zinc/36/82/26/493368226.db2.gz JCRGDTDSMLXQAM-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)(CO)N1CC[NH+](CCCCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896262 493372679 /nfs/dbraw/zinc/37/26/79/493372679.db2.gz SEHOICNSTPIVTQ-UHFFFAOYSA-N 2 1 370.582 0.544 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000668547672 493374200 /nfs/dbraw/zinc/37/42/00/493374200.db2.gz AHQXNTUXFNFLID-MJGOQNOKSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000668547672 493374202 /nfs/dbraw/zinc/37/42/02/493374202.db2.gz AHQXNTUXFNFLID-MJGOQNOKSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668547672 493374204 /nfs/dbraw/zinc/37/42/04/493374204.db2.gz AHQXNTUXFNFLID-MJGOQNOKSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668547672 493374205 /nfs/dbraw/zinc/37/42/05/493374205.db2.gz AHQXNTUXFNFLID-MJGOQNOKSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)n2)CC1 ZINC000683867672 493375360 /nfs/dbraw/zinc/37/53/60/493375360.db2.gz NZMNAQGCJANEHI-OAHLLOKOSA-N 2 1 374.489 0.689 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000668584449 493379527 /nfs/dbraw/zinc/37/95/27/493379527.db2.gz CULXDOTYPZZEPT-BBWFWOEESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000668602768 493382537 /nfs/dbraw/zinc/38/25/37/493382537.db2.gz KGABESYITOLYRV-HOTGVXAUSA-N 2 1 354.495 0.779 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000660850841 493385797 /nfs/dbraw/zinc/38/57/97/493385797.db2.gz YYJVWFQVMFVBRA-NVXWUHKLSA-N 2 1 354.495 0.507 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)c1cc(C(=O)NCC[N@H+](C)C(C)C)[nH]n1 ZINC000668701195 493399688 /nfs/dbraw/zinc/39/96/88/493399688.db2.gz QAMHTBGGIQCDAM-UHFFFAOYSA-N 2 1 352.483 0.550 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)c1cc(C(=O)NCC[N@H+](C)C(C)C)n[nH]1 ZINC000668701195 493399690 /nfs/dbraw/zinc/39/96/90/493399690.db2.gz QAMHTBGGIQCDAM-UHFFFAOYSA-N 2 1 352.483 0.550 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)c1cc(C(=O)NCC[N@@H+](C)C(C)C)n[nH]1 ZINC000668701195 493399693 /nfs/dbraw/zinc/39/96/93/493399693.db2.gz QAMHTBGGIQCDAM-UHFFFAOYSA-N 2 1 352.483 0.550 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668731351 493402650 /nfs/dbraw/zinc/40/26/50/493402650.db2.gz AJTHJESRNUCLMG-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000674329171 493409049 /nfs/dbraw/zinc/40/90/49/493409049.db2.gz RCPMNJDUSJSALZ-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000661131431 493409496 /nfs/dbraw/zinc/40/94/96/493409496.db2.gz UJURINIXYGAZCW-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795805 493412661 /nfs/dbraw/zinc/41/26/61/493412661.db2.gz HKHYOUDNJXNNHT-QAPCUYQASA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795805 493412664 /nfs/dbraw/zinc/41/26/64/493412664.db2.gz HKHYOUDNJXNNHT-QAPCUYQASA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000668795805 493412666 /nfs/dbraw/zinc/41/26/66/493412666.db2.gz HKHYOUDNJXNNHT-QAPCUYQASA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000668795805 493412670 /nfs/dbraw/zinc/41/26/70/493412670.db2.gz HKHYOUDNJXNNHT-QAPCUYQASA-N 2 1 358.486 0.976 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841168 493419437 /nfs/dbraw/zinc/41/94/37/493419437.db2.gz HGBKWEVYOBYBDC-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000668841168 493419438 /nfs/dbraw/zinc/41/94/38/493419438.db2.gz HGBKWEVYOBYBDC-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000668841168 493419440 /nfs/dbraw/zinc/41/94/40/493419440.db2.gz HGBKWEVYOBYBDC-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661511510 493443129 /nfs/dbraw/zinc/44/31/29/493443129.db2.gz HGHVONMPCLOIFL-OAHLLOKOSA-N 2 1 356.511 0.848 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661511510 493443132 /nfs/dbraw/zinc/44/31/32/493443132.db2.gz HGHVONMPCLOIFL-OAHLLOKOSA-N 2 1 356.511 0.848 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000669035289 493455582 /nfs/dbraw/zinc/45/55/82/493455582.db2.gz BYFRHXLSPGFRPK-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000661948148 493478181 /nfs/dbraw/zinc/47/81/81/493478181.db2.gz UCPDIHHGFRJDKC-MGNMYUMUSA-N 2 1 365.522 0.854 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000661948148 493478183 /nfs/dbraw/zinc/47/81/83/493478183.db2.gz UCPDIHHGFRJDKC-MGNMYUMUSA-N 2 1 365.522 0.854 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000661948148 493478185 /nfs/dbraw/zinc/47/81/85/493478185.db2.gz UCPDIHHGFRJDKC-MGNMYUMUSA-N 2 1 365.522 0.854 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685337176 493478435 /nfs/dbraw/zinc/47/84/35/493478435.db2.gz DQFAEFTXTCODRO-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337176 493478439 /nfs/dbraw/zinc/47/84/39/493478439.db2.gz DQFAEFTXTCODRO-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685340299 493479666 /nfs/dbraw/zinc/47/96/66/493479666.db2.gz QBKNIDHWPXMDTJ-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340299 493479669 /nfs/dbraw/zinc/47/96/69/493479669.db2.gz QBKNIDHWPXMDTJ-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340837 493480395 /nfs/dbraw/zinc/48/03/95/493480395.db2.gz GXWXXWYZOOWXGO-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340837 493480398 /nfs/dbraw/zinc/48/03/98/493480398.db2.gz GXWXXWYZOOWXGO-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342714 493481591 /nfs/dbraw/zinc/48/15/91/493481591.db2.gz LFCLQNBASUXYJA-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342714 493481592 /nfs/dbraw/zinc/48/15/92/493481592.db2.gz LFCLQNBASUXYJA-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342714 493481593 /nfs/dbraw/zinc/48/15/93/493481593.db2.gz LFCLQNBASUXYJA-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342714 493481595 /nfs/dbraw/zinc/48/15/95/493481595.db2.gz LFCLQNBASUXYJA-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342984 493481744 /nfs/dbraw/zinc/48/17/44/493481744.db2.gz RHRVDXLDOPXDAL-OFQRWUPVSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342984 493481746 /nfs/dbraw/zinc/48/17/46/493481746.db2.gz RHRVDXLDOPXDAL-OFQRWUPVSA-N 2 1 354.495 0.010 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000669273726 493487627 /nfs/dbraw/zinc/48/76/27/493487627.db2.gz GGFBLZWTRBGNCQ-BBWFWOEESA-N 2 1 366.506 0.081 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000685519470 493500999 /nfs/dbraw/zinc/50/09/99/493500999.db2.gz SUWKHVXZWIRVSK-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000662271805 493501299 /nfs/dbraw/zinc/50/12/99/493501299.db2.gz JIYRBRCLGLUCGN-HNNXBMFYSA-N 2 1 368.503 0.414 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000662271805 493501301 /nfs/dbraw/zinc/50/13/01/493501301.db2.gz JIYRBRCLGLUCGN-HNNXBMFYSA-N 2 1 368.503 0.414 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262514 493501650 /nfs/dbraw/zinc/50/16/50/493501650.db2.gz VWHBHAZZALTTST-NVXWUHKLSA-N 2 1 350.507 0.572 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299001 493504629 /nfs/dbraw/zinc/50/46/29/493504629.db2.gz ZDKNVTWVZUVYDO-WMLDXEAASA-N 2 1 350.507 0.810 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295935 493504990 /nfs/dbraw/zinc/50/49/90/493504990.db2.gz JDTWGECYOIRWKI-MAUKXSAKSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486530 493506702 /nfs/dbraw/zinc/50/67/02/493506702.db2.gz UPPGBQXJAQURET-GVDBMIGSSA-N 2 1 353.511 0.304 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000669529761 493508720 /nfs/dbraw/zinc/50/87/20/493508720.db2.gz BISXQBQDKXPTLX-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000669529764 493509089 /nfs/dbraw/zinc/50/90/89/493509089.db2.gz BISXQBQDKXPTLX-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)nn1 ZINC000662380053 493510891 /nfs/dbraw/zinc/51/08/91/493510891.db2.gz IVRJLKAVTNUFPS-UHFFFAOYSA-N 2 1 371.489 0.175 20 0 FCADMP Cc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662377655 493511302 /nfs/dbraw/zinc/51/13/02/493511302.db2.gz LXXQKRMOILJFAL-QGZVFWFLSA-N 2 1 354.458 0.909 20 0 FCADMP Cc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662377655 493511303 /nfs/dbraw/zinc/51/13/03/493511303.db2.gz LXXQKRMOILJFAL-QGZVFWFLSA-N 2 1 354.458 0.909 20 0 FCADMP CC[C@H]([NH2+]C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662396425 493512295 /nfs/dbraw/zinc/51/22/95/493512295.db2.gz AMKXJXQUMUGDBW-KRWDZBQOSA-N 2 1 362.474 0.962 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662437930 493515416 /nfs/dbraw/zinc/51/54/16/493515416.db2.gz KEBZUJLNKPXVCB-GFCCVEGCSA-N 2 1 350.488 0.711 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000662457759 493517857 /nfs/dbraw/zinc/51/78/57/493517857.db2.gz MUROSBFFFITUTQ-ZYSHUDEJSA-N 2 1 374.533 0.316 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cnn1C ZINC000662457759 493517859 /nfs/dbraw/zinc/51/78/59/493517859.db2.gz MUROSBFFFITUTQ-ZYSHUDEJSA-N 2 1 374.533 0.316 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@H+]1C[C@@H](C)O ZINC000662529340 493524175 /nfs/dbraw/zinc/52/41/75/493524175.db2.gz VVXIAWPXLBQQAJ-LFVTVUPYSA-N 2 1 363.506 0.335 20 0 FCADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC000662560576 493526320 /nfs/dbraw/zinc/52/63/20/493526320.db2.gz JQEPYZLSTYWMNX-GDBMZVCRSA-N 2 1 370.457 0.916 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676246723 493534350 /nfs/dbraw/zinc/53/43/50/493534350.db2.gz WHQYREBHNXOTDJ-HOCLYGCPSA-N 2 1 356.511 0.894 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246723 493534351 /nfs/dbraw/zinc/53/43/51/493534351.db2.gz WHQYREBHNXOTDJ-HOCLYGCPSA-N 2 1 356.511 0.894 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662722704 493534767 /nfs/dbraw/zinc/53/47/67/493534767.db2.gz HYGDOVPVXQOKTB-GJZGRUSLSA-N 2 1 350.467 0.385 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662722704 493534769 /nfs/dbraw/zinc/53/47/69/493534769.db2.gz HYGDOVPVXQOKTB-GJZGRUSLSA-N 2 1 350.467 0.385 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676250212 493535290 /nfs/dbraw/zinc/53/52/90/493535290.db2.gz FLJRQNIUUZQIEC-RKTXRCNFSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250212 493535292 /nfs/dbraw/zinc/53/52/92/493535292.db2.gz FLJRQNIUUZQIEC-RKTXRCNFSA-N 2 1 354.495 0.383 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000676287983 493541906 /nfs/dbraw/zinc/54/19/06/493541906.db2.gz YTKHTUMUIXNCHA-VQHPVUNQSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000676287983 493541908 /nfs/dbraw/zinc/54/19/08/493541908.db2.gz YTKHTUMUIXNCHA-VQHPVUNQSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000676287983 493541909 /nfs/dbraw/zinc/54/19/09/493541909.db2.gz YTKHTUMUIXNCHA-VQHPVUNQSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000676287983 493541910 /nfs/dbraw/zinc/54/19/10/493541910.db2.gz YTKHTUMUIXNCHA-VQHPVUNQSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662857371 493547361 /nfs/dbraw/zinc/54/73/61/493547361.db2.gz AMNHZTOBGLQKMG-SJORKVTESA-N 2 1 369.469 0.983 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394354 493548845 /nfs/dbraw/zinc/54/88/45/493548845.db2.gz ZTBZDBPUOZPBSJ-TZIWHRDSSA-N 2 1 373.497 0.993 20 0 FCADMP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901110 493549972 /nfs/dbraw/zinc/54/99/72/493549972.db2.gz SPYADMCEWNCIRB-ZBFHGGJFSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901110 493549974 /nfs/dbraw/zinc/54/99/74/493549974.db2.gz SPYADMCEWNCIRB-ZBFHGGJFSA-N 2 1 360.506 0.727 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)[C@@H]2C1 ZINC000662944038 493558420 /nfs/dbraw/zinc/55/84/20/493558420.db2.gz HSOWQYLLYJUAOY-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662957199 493560295 /nfs/dbraw/zinc/56/02/95/493560295.db2.gz UTAYGGGRKWRIDC-WMZOPIPTSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662972185 493562570 /nfs/dbraw/zinc/56/25/70/493562570.db2.gz ANUSNDSQVUHSFY-RBUKOAKNSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432435 493566314 /nfs/dbraw/zinc/56/63/14/493566314.db2.gz NQKGTJLNFWHLOA-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670432435 493566315 /nfs/dbraw/zinc/56/63/15/493566315.db2.gz NQKGTJLNFWHLOA-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670432435 493566316 /nfs/dbraw/zinc/56/63/16/493566316.db2.gz NQKGTJLNFWHLOA-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)CC2 ZINC000670444834 493568795 /nfs/dbraw/zinc/56/87/95/493568795.db2.gz RXGVVNACVABUQY-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)CC2 ZINC000670444834 493568798 /nfs/dbraw/zinc/56/87/98/493568798.db2.gz RXGVVNACVABUQY-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC000670444834 493568801 /nfs/dbraw/zinc/56/88/01/493568801.db2.gz RXGVVNACVABUQY-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP Cc1nnc2n1C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC2 ZINC000676804442 493571956 /nfs/dbraw/zinc/57/19/56/493571956.db2.gz WJIOGTCVFWBMGP-CQSZACIVSA-N 2 1 355.446 0.934 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546695 493579279 /nfs/dbraw/zinc/57/92/79/493579279.db2.gz BFNZTEGVQLBJEW-LSDHHAIUSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546695 493579281 /nfs/dbraw/zinc/57/92/81/493579281.db2.gz BFNZTEGVQLBJEW-LSDHHAIUSA-N 2 1 359.474 0.544 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607665 493580562 /nfs/dbraw/zinc/58/05/62/493580562.db2.gz BVYZFHSCMATYAZ-MOPGFXCFSA-N 2 1 372.513 0.876 20 0 FCADMP CN(C(=O)C(=O)NCCc1ccco1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670640920 493584480 /nfs/dbraw/zinc/58/44/80/493584480.db2.gz PYBCDGZMTNSIRX-INIZCTEOSA-N 2 1 362.474 0.565 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000670670591 493586433 /nfs/dbraw/zinc/58/64/33/493586433.db2.gz HCDRBCNJCICJIN-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000677153487 493586999 /nfs/dbraw/zinc/58/69/99/493586999.db2.gz RJSSGPSHIKQJOT-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000677153487 493587001 /nfs/dbraw/zinc/58/70/01/493587001.db2.gz RJSSGPSHIKQJOT-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCOCC1 ZINC000663555488 493597584 /nfs/dbraw/zinc/59/75/84/493597584.db2.gz WXFHIEZVAZQOME-INIZCTEOSA-N 2 1 371.526 0.005 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981211 493628633 /nfs/dbraw/zinc/62/86/33/493628633.db2.gz ZLJJLYCSBWHWPB-QYZOEREBSA-N 2 1 360.502 0.867 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000671102511 493633396 /nfs/dbraw/zinc/63/33/96/493633396.db2.gz PRLOYABOMDTCMA-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000671102515 493633411 /nfs/dbraw/zinc/63/34/11/493633411.db2.gz PRLOYABOMDTCMA-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671102513 493633431 /nfs/dbraw/zinc/63/34/31/493633431.db2.gz PRLOYABOMDTCMA-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671103232 493633978 /nfs/dbraw/zinc/63/39/78/493633978.db2.gz ZWCIVXWHOIAZDQ-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671105110 493634667 /nfs/dbraw/zinc/63/46/67/493634667.db2.gz HVGXZIQBWCDPPK-JYJNAYRXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105110 493634669 /nfs/dbraw/zinc/63/46/69/493634669.db2.gz HVGXZIQBWCDPPK-JYJNAYRXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105110 493634672 /nfs/dbraw/zinc/63/46/72/493634672.db2.gz HVGXZIQBWCDPPK-JYJNAYRXSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671105914 493634879 /nfs/dbraw/zinc/63/48/79/493634879.db2.gz OTNVBNDSQCECTF-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671105914 493634881 /nfs/dbraw/zinc/63/48/81/493634881.db2.gz OTNVBNDSQCECTF-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671105914 493634883 /nfs/dbraw/zinc/63/48/83/493634883.db2.gz OTNVBNDSQCECTF-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000678199398 493637711 /nfs/dbraw/zinc/63/77/11/493637711.db2.gz OKQAIGXEKPMQPC-MRXNPFEDSA-N 2 1 365.522 0.844 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671404507 493666633 /nfs/dbraw/zinc/66/66/33/493666633.db2.gz BLXBBQVBUKJXIC-FXUDXRNXSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671404507 493666637 /nfs/dbraw/zinc/66/66/37/493666637.db2.gz BLXBBQVBUKJXIC-FXUDXRNXSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671404507 493666639 /nfs/dbraw/zinc/66/66/39/493666639.db2.gz BLXBBQVBUKJXIC-FXUDXRNXSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671404507 493666642 /nfs/dbraw/zinc/66/66/42/493666642.db2.gz BLXBBQVBUKJXIC-FXUDXRNXSA-N 2 1 354.495 0.058 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000679507969 493684304 /nfs/dbraw/zinc/68/43/04/493684304.db2.gz LJMHEXVMRHBMOK-AWEZNQCLSA-N 2 1 354.414 0.806 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000679507969 493684305 /nfs/dbraw/zinc/68/43/05/493684305.db2.gz LJMHEXVMRHBMOK-AWEZNQCLSA-N 2 1 354.414 0.806 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880933 493710714 /nfs/dbraw/zinc/71/07/14/493710714.db2.gz YFPKZIKIWZLHMX-IAGOWNOFSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000671880933 493710716 /nfs/dbraw/zinc/71/07/16/493710716.db2.gz YFPKZIKIWZLHMX-IAGOWNOFSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000671880933 493710719 /nfs/dbraw/zinc/71/07/19/493710719.db2.gz YFPKZIKIWZLHMX-IAGOWNOFSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671881814 493711160 /nfs/dbraw/zinc/71/11/60/493711160.db2.gz UCNJHJGCVYXZQK-QGZVFWFLSA-N 2 1 373.501 0.967 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010235 493724160 /nfs/dbraw/zinc/72/41/60/493724160.db2.gz MPARPUBOLJUKLX-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014547 493725081 /nfs/dbraw/zinc/72/50/81/493725081.db2.gz NRWVYLWNBHIEJA-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014547 493725083 /nfs/dbraw/zinc/72/50/83/493725083.db2.gz NRWVYLWNBHIEJA-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672099032 493735268 /nfs/dbraw/zinc/73/52/68/493735268.db2.gz PEXRMCDOLSFUJH-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672099032 493735270 /nfs/dbraw/zinc/73/52/70/493735270.db2.gz PEXRMCDOLSFUJH-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672099032 493735272 /nfs/dbraw/zinc/73/52/72/493735272.db2.gz PEXRMCDOLSFUJH-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672204275 493742442 /nfs/dbraw/zinc/74/24/42/493742442.db2.gz SBOFJEQMTBSHNP-QGZVFWFLSA-N 2 1 359.474 0.721 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305727 493751843 /nfs/dbraw/zinc/75/18/43/493751843.db2.gz BEIPGDAEGIJPEU-RDJZCZTQSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310253 493754384 /nfs/dbraw/zinc/75/43/84/493754384.db2.gz LTKOOWFGVOWBKI-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886441 534226016 /nfs/dbraw/zinc/22/60/16/534226016.db2.gz URTDQBWMQUCKHJ-CALCHBBNSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000410844852 534283491 /nfs/dbraw/zinc/28/34/91/534283491.db2.gz CWGFZHGZRUUOQC-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000410844852 534283492 /nfs/dbraw/zinc/28/34/92/534283492.db2.gz CWGFZHGZRUUOQC-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724995 527745301 /nfs/dbraw/zinc/74/53/01/527745301.db2.gz MIGRMKHRFJDAFX-WCXIOVBPSA-N 2 1 368.522 0.231 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724995 527745307 /nfs/dbraw/zinc/74/53/07/527745307.db2.gz MIGRMKHRFJDAFX-WCXIOVBPSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724995 527745323 /nfs/dbraw/zinc/74/53/23/527745323.db2.gz MIGRMKHRFJDAFX-WCXIOVBPSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724995 527745328 /nfs/dbraw/zinc/74/53/28/527745328.db2.gz MIGRMKHRFJDAFX-WCXIOVBPSA-N 2 1 368.522 0.231 20 0 FCADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000412651883 527767483 /nfs/dbraw/zinc/76/74/83/527767483.db2.gz DISWHKZCTYTIHA-QRVBRYPASA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000412651883 527767485 /nfs/dbraw/zinc/76/74/85/527767485.db2.gz DISWHKZCTYTIHA-QRVBRYPASA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000412651883 527767494 /nfs/dbraw/zinc/76/74/94/527767494.db2.gz DISWHKZCTYTIHA-QRVBRYPASA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000412651883 527767497 /nfs/dbraw/zinc/76/74/97/527767497.db2.gz DISWHKZCTYTIHA-QRVBRYPASA-N 2 1 361.486 0.970 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000410474829 527770456 /nfs/dbraw/zinc/77/04/56/527770456.db2.gz YHIKYCRCHUVCLK-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1CCOC ZINC000410474829 527770460 /nfs/dbraw/zinc/77/04/60/527770460.db2.gz YHIKYCRCHUVCLK-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937385 527804894 /nfs/dbraw/zinc/80/48/94/527804894.db2.gz KLYYFMAWMWEHIJ-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937385 527804898 /nfs/dbraw/zinc/80/48/98/527804898.db2.gz KLYYFMAWMWEHIJ-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937385 527804905 /nfs/dbraw/zinc/80/49/05/527804905.db2.gz KLYYFMAWMWEHIJ-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937385 527804911 /nfs/dbraw/zinc/80/49/11/527804911.db2.gz KLYYFMAWMWEHIJ-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410697658 527844676 /nfs/dbraw/zinc/84/46/76/527844676.db2.gz LPEQBXLXVNFOMJ-QGZVFWFLSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410697658 527844683 /nfs/dbraw/zinc/84/46/83/527844683.db2.gz LPEQBXLXVNFOMJ-QGZVFWFLSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@@H]1C ZINC000410700045 527962059 /nfs/dbraw/zinc/96/20/59/527962059.db2.gz IVYNAQTVVVZQFK-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@@H]1C ZINC000410700045 527962064 /nfs/dbraw/zinc/96/20/64/527962064.db2.gz IVYNAQTVVVZQFK-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@@H]1C ZINC000410700045 527962069 /nfs/dbraw/zinc/96/20/69/527962069.db2.gz IVYNAQTVVVZQFK-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@@H]1C ZINC000410700045 527962076 /nfs/dbraw/zinc/96/20/76/527962076.db2.gz IVYNAQTVVVZQFK-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@@H+](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(C)C ZINC000413244363 528491778 /nfs/dbraw/zinc/49/17/78/528491778.db2.gz WQDGPQQBNASPGX-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000410697664 528738031 /nfs/dbraw/zinc/73/80/31/528738031.db2.gz LQSOYSHPPVZULF-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000410697664 528738038 /nfs/dbraw/zinc/73/80/38/528738038.db2.gz LQSOYSHPPVZULF-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410697664 528738046 /nfs/dbraw/zinc/73/80/46/528738046.db2.gz LQSOYSHPPVZULF-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410697664 528738049 /nfs/dbraw/zinc/73/80/49/528738049.db2.gz LQSOYSHPPVZULF-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410704134 528738107 /nfs/dbraw/zinc/73/81/07/528738107.db2.gz YWEVXIONSGFXCE-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410704134 528738111 /nfs/dbraw/zinc/73/81/11/528738111.db2.gz YWEVXIONSGFXCE-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1)C(C)C ZINC000410522992 528886969 /nfs/dbraw/zinc/88/69/69/528886969.db2.gz BJOFPKNPJFDCPB-UHFFFAOYSA-N 2 1 370.538 0.479 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031263 529060045 /nfs/dbraw/zinc/06/00/45/529060045.db2.gz SLFXIRNNIXEDIX-VQIMIIECSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031263 529060053 /nfs/dbraw/zinc/06/00/53/529060053.db2.gz SLFXIRNNIXEDIX-VQIMIIECSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031263 529060057 /nfs/dbraw/zinc/06/00/57/529060057.db2.gz SLFXIRNNIXEDIX-VQIMIIECSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc2)CC1 ZINC000186811435 529152833 /nfs/dbraw/zinc/15/28/33/529152833.db2.gz DHZKOVPKLBZTRV-QGZVFWFLSA-N 2 1 360.502 0.967 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446363003 535042875 /nfs/dbraw/zinc/04/28/75/535042875.db2.gz JZLSTWDQYPXUAG-FRQCXROJSA-N 2 1 351.491 0.842 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000419705453 535071698 /nfs/dbraw/zinc/07/16/98/535071698.db2.gz ZPLCBLCKADAGOE-VVLHAWIVSA-N 2 1 350.507 0.809 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419698215 535073832 /nfs/dbraw/zinc/07/38/32/535073832.db2.gz PFDUKKFCVNXJBV-QFBILLFUSA-N 2 1 350.507 0.825 20 0 FCADMP CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000423665342 535186428 /nfs/dbraw/zinc/18/64/28/535186428.db2.gz QOPCMCIKAUZGAD-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000423665342 535186432 /nfs/dbraw/zinc/18/64/32/535186432.db2.gz QOPCMCIKAUZGAD-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660092 535186680 /nfs/dbraw/zinc/18/66/80/535186680.db2.gz JNJQXJGOXWMJPT-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419761129 535297670 /nfs/dbraw/zinc/29/76/70/535297670.db2.gz JTOBNLWTSNVMMH-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@@H+]1CCOC ZINC000423650496 535425473 /nfs/dbraw/zinc/42/54/73/535425473.db2.gz KXFYLQOUZGJZJQ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@H+]1CCOC ZINC000423650496 535425476 /nfs/dbraw/zinc/42/54/76/535425476.db2.gz KXFYLQOUZGJZJQ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423515998 535425509 /nfs/dbraw/zinc/42/55/09/535425509.db2.gz AJPCXJPPPDPRED-OWCLPIDISA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423515998 535425511 /nfs/dbraw/zinc/42/55/11/535425511.db2.gz AJPCXJPPPDPRED-OWCLPIDISA-N 2 1 354.495 0.141 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419591563 535477496 /nfs/dbraw/zinc/47/74/96/535477496.db2.gz RILYHERJUGVPTR-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@@](C)=O)CC1 ZINC000442714269 535594501 /nfs/dbraw/zinc/59/45/01/535594501.db2.gz JOGZYJDIBUAZLT-IZHWHUGBSA-N 2 1 358.552 0.955 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccnn1COC ZINC000440046302 535595056 /nfs/dbraw/zinc/59/50/56/535595056.db2.gz YAKPEJZIXMAQII-HNNXBMFYSA-N 2 1 373.523 0.524 20 0 FCADMP CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630083 535703043 /nfs/dbraw/zinc/70/30/43/535703043.db2.gz ZHTLNJGKTFLORD-KRWDZBQOSA-N 2 1 360.506 0.979 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000423517202 535732820 /nfs/dbraw/zinc/73/28/20/535732820.db2.gz BGOTYZFKMRBXIY-SJORKVTESA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000423517202 535732827 /nfs/dbraw/zinc/73/28/27/535732827.db2.gz BGOTYZFKMRBXIY-SJORKVTESA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423534287 535732895 /nfs/dbraw/zinc/73/28/95/535732895.db2.gz ZWVXTDVOPGBLPE-INIZCTEOSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@H+]1CCOC ZINC000423534287 535732902 /nfs/dbraw/zinc/73/29/02/535732902.db2.gz ZWVXTDVOPGBLPE-INIZCTEOSA-N 2 1 354.495 0.143 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419410212 536099852 /nfs/dbraw/zinc/09/98/52/536099852.db2.gz OHCPIKIVOBZKSL-ZWKOTPCHSA-N 2 1 358.486 0.889 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423794004 536302486 /nfs/dbraw/zinc/30/24/86/536302486.db2.gz XIZAXTFJQKLQLE-GDBMZVCRSA-N 2 1 363.462 0.517 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419905579 536372751 /nfs/dbraw/zinc/37/27/51/536372751.db2.gz ZFJVNKOBXCJEBH-KRWDZBQOSA-N 2 1 373.501 0.135 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419445178 536417128 /nfs/dbraw/zinc/41/71/28/536417128.db2.gz DNMXGNRMHRXNBJ-IRXDYDNUSA-N 2 1 373.501 0.134 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423307356 536449413 /nfs/dbraw/zinc/44/94/13/536449413.db2.gz MZQIXRCMWMHJPP-QZTJIDSGSA-N 2 1 374.485 0.153 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@@H](C)C1 ZINC000423862131 536453860 /nfs/dbraw/zinc/45/38/60/536453860.db2.gz RQFZBMRIGBSZBZ-GOEBONIOSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@@H](C)C1 ZINC000423862131 536453862 /nfs/dbraw/zinc/45/38/62/536453862.db2.gz RQFZBMRIGBSZBZ-GOEBONIOSA-N 2 1 363.462 0.517 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419841992 536775263 /nfs/dbraw/zinc/77/52/63/536775263.db2.gz KYCIIKVGYWVYPA-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000948412880 674377181 /nfs/dbraw/zinc/37/71/81/674377181.db2.gz CMZKMRCUTDERLO-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000948412880 674377185 /nfs/dbraw/zinc/37/71/85/674377185.db2.gz CMZKMRCUTDERLO-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000948412880 674377188 /nfs/dbraw/zinc/37/71/88/674377188.db2.gz CMZKMRCUTDERLO-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000592472290 546650387 /nfs/dbraw/zinc/65/03/87/546650387.db2.gz TYXCBHHZECBXQR-CQSZACIVSA-N 2 1 366.487 0.477 20 0 FCADMP COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000592472290 546650390 /nfs/dbraw/zinc/65/03/90/546650390.db2.gz TYXCBHHZECBXQR-CQSZACIVSA-N 2 1 366.487 0.477 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593731324 546746455 /nfs/dbraw/zinc/74/64/55/546746455.db2.gz WIDJUSAIFRJKFS-YJNKXOJESA-N 2 1 356.467 0.208 20 0 FCADMP CC1(C)CC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC(C)(C)[NH2+]1 ZINC000594084542 546773723 /nfs/dbraw/zinc/77/37/23/546773723.db2.gz YBUZNURRAIVJOC-AWEZNQCLSA-N 2 1 353.511 0.935 20 0 FCADMP COCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000594318014 546781778 /nfs/dbraw/zinc/78/17/78/546781778.db2.gz NYSDJUCOHWUNNE-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC)CC1)CCC(F)(F)F ZINC000550034425 547077374 /nfs/dbraw/zinc/07/73/74/547077374.db2.gz LTYPTWGBNFBAEZ-UHFFFAOYSA-N 2 1 366.428 0.977 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC)CC1)CCC(F)(F)F ZINC000550034425 547077381 /nfs/dbraw/zinc/07/73/81/547077381.db2.gz LTYPTWGBNFBAEZ-UHFFFAOYSA-N 2 1 366.428 0.977 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000550094192 547077937 /nfs/dbraw/zinc/07/79/37/547077937.db2.gz DUKUQFNCFSPZQF-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550094192 547077939 /nfs/dbraw/zinc/07/79/39/547077939.db2.gz DUKUQFNCFSPZQF-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550094192 547077941 /nfs/dbraw/zinc/07/79/41/547077941.db2.gz DUKUQFNCFSPZQF-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000550714790 547098433 /nfs/dbraw/zinc/09/84/33/547098433.db2.gz GTNGBUGQEKOKKA-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000550714791 547098888 /nfs/dbraw/zinc/09/88/88/547098888.db2.gz GTNGBUGQEKOKKA-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550946724 547116991 /nfs/dbraw/zinc/11/69/91/547116991.db2.gz XSYZIKOSAVZGQG-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000551020896 547119965 /nfs/dbraw/zinc/11/99/65/547119965.db2.gz UDZNMGKARWCKJY-UHFFFAOYSA-N 2 1 368.547 0.675 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000551048680 547122504 /nfs/dbraw/zinc/12/25/04/547122504.db2.gz LKDBGJXWAOGZLC-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000551217972 547135852 /nfs/dbraw/zinc/13/58/52/547135852.db2.gz ZSNXHMGDHVUYPJ-RVKKMQEKSA-N 2 1 370.563 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000551499700 547149246 /nfs/dbraw/zinc/14/92/46/547149246.db2.gz VWUIBRUBJBCXFA-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551499700 547149252 /nfs/dbraw/zinc/14/92/52/547149252.db2.gz VWUIBRUBJBCXFA-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551499700 547149256 /nfs/dbraw/zinc/14/92/56/547149256.db2.gz VWUIBRUBJBCXFA-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000551848754 547168029 /nfs/dbraw/zinc/16/80/29/547168029.db2.gz LHZUDKSTCKWSBB-UHFFFAOYSA-N 2 1 356.536 0.531 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552747630 547229235 /nfs/dbraw/zinc/22/92/35/547229235.db2.gz QZOBCYVGRDOJRP-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552747630 547229240 /nfs/dbraw/zinc/22/92/40/547229240.db2.gz QZOBCYVGRDOJRP-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654372471 547322108 /nfs/dbraw/zinc/32/21/08/547322108.db2.gz KWMOMKAGGHDACK-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654372471 547322113 /nfs/dbraw/zinc/32/21/13/547322113.db2.gz KWMOMKAGGHDACK-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356759 547337604 /nfs/dbraw/zinc/33/76/04/547337604.db2.gz WFSRYXHSJOVMKG-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356759 547337609 /nfs/dbraw/zinc/33/76/09/547337609.db2.gz WFSRYXHSJOVMKG-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356759 547337612 /nfs/dbraw/zinc/33/76/12/547337612.db2.gz WFSRYXHSJOVMKG-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000488713909 547386168 /nfs/dbraw/zinc/38/61/68/547386168.db2.gz MEZHTJAPJQNWTR-YWTNHNAXSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000488713909 547386172 /nfs/dbraw/zinc/38/61/72/547386172.db2.gz MEZHTJAPJQNWTR-YWTNHNAXSA-N 2 1 355.523 0.642 20 0 FCADMP COCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123687 674395293 /nfs/dbraw/zinc/39/52/93/674395293.db2.gz ICCBTCJCLVPJCY-HZPDHXFCSA-N 2 1 355.479 0.045 20 0 FCADMP COCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123687 674395294 /nfs/dbraw/zinc/39/52/94/674395294.db2.gz ICCBTCJCLVPJCY-HZPDHXFCSA-N 2 1 355.479 0.045 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736854164 599080662 /nfs/dbraw/zinc/08/06/62/599080662.db2.gz AKRJZVFDCIYEBF-QGZVFWFLSA-N 2 1 371.489 0.957 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736854164 599080666 /nfs/dbraw/zinc/08/06/66/599080666.db2.gz AKRJZVFDCIYEBF-QGZVFWFLSA-N 2 1 371.489 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000950255679 674423461 /nfs/dbraw/zinc/42/34/61/674423461.db2.gz OXXDDRDWYQGRIC-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000950386325 674426676 /nfs/dbraw/zinc/42/66/76/674426676.db2.gz OKHVGUUDXHQPLU-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000950386325 674426678 /nfs/dbraw/zinc/42/66/78/674426678.db2.gz OKHVGUUDXHQPLU-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000950386325 674426679 /nfs/dbraw/zinc/42/66/79/674426679.db2.gz OKHVGUUDXHQPLU-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950674008 674433510 /nfs/dbraw/zinc/43/35/10/674433510.db2.gz QJFRJWLJGXXQNQ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000821810249 599428773 /nfs/dbraw/zinc/42/87/73/599428773.db2.gz XPIYEKPTTPRWTD-UHFFFAOYSA-N 2 1 359.434 0.129 20 0 FCADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)[C@H]1CCNC1=O ZINC000957716095 674551191 /nfs/dbraw/zinc/55/11/91/674551191.db2.gz TXGXCXKVGOYRJL-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[C@H]1CCNC1=O ZINC000957716095 674551192 /nfs/dbraw/zinc/55/11/92/674551192.db2.gz TXGXCXKVGOYRJL-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[C@H]1CCNC1=O ZINC000957716095 674551195 /nfs/dbraw/zinc/55/11/95/674551195.db2.gz TXGXCXKVGOYRJL-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989231253 665721116 /nfs/dbraw/zinc/72/11/16/665721116.db2.gz UPQUGONQZWNYFP-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897650268 665759757 /nfs/dbraw/zinc/75/97/57/665759757.db2.gz HLOQRGIDWWNCHH-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000989995873 665836082 /nfs/dbraw/zinc/83/60/82/665836082.db2.gz AUOONYHRIDSDET-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969701252 663189849 /nfs/dbraw/zinc/18/98/49/663189849.db2.gz ULEMFLQNOWQRBT-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CCNC3=O)CC2)CC1 ZINC000899470676 665940187 /nfs/dbraw/zinc/94/01/87/665940187.db2.gz IBJWKIROSRASDB-UHFFFAOYSA-N 2 1 351.495 0.324 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC001021941731 663381009 /nfs/dbraw/zinc/38/10/09/663381009.db2.gz RUAINRVUTFSFNA-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891484328 663409191 /nfs/dbraw/zinc/40/91/91/663409191.db2.gz UPXBQRWFUSNTRC-CVEARBPZSA-N 2 1 353.511 0.842 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000891514156 663410875 /nfs/dbraw/zinc/41/08/75/663410875.db2.gz MQYPKTALYJZRIR-NWDGAFQWSA-N 2 1 351.476 0.533 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891564445 663415604 /nfs/dbraw/zinc/41/56/04/663415604.db2.gz NHCQFJKASLZYJX-IAGOWNOFSA-N 2 1 353.511 0.306 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891953073 663454555 /nfs/dbraw/zinc/45/45/55/663454555.db2.gz MUTHECHGHLMWNM-CRAIPNDOSA-N 2 1 352.479 0.452 20 0 FCADMP [NH3+]CC[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)F ZINC000892153352 663482216 /nfs/dbraw/zinc/48/22/16/663482216.db2.gz YKKWFVIUERXTCS-KBPBESRZSA-N 2 1 363.453 0.065 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892174543 663485243 /nfs/dbraw/zinc/48/52/43/663485243.db2.gz FGIHXFUTROWWBK-ZACQAIPSSA-N 2 1 353.511 0.210 20 0 FCADMP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295733 663523798 /nfs/dbraw/zinc/52/37/98/663523798.db2.gz SEVODTOZUPMFJM-ZACQAIPSSA-N 2 1 353.511 0.223 20 0 FCADMP CC(C)[C@@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCOCC1 ZINC000924457932 663555513 /nfs/dbraw/zinc/55/55/13/663555513.db2.gz UUBGLSFQMNMNEJ-HZPDHXFCSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001024039001 663868303 /nfs/dbraw/zinc/86/83/03/663868303.db2.gz MFQUTAZESSPRIT-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001024039001 663868308 /nfs/dbraw/zinc/86/83/08/663868308.db2.gz MFQUTAZESSPRIT-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001024446883 663943690 /nfs/dbraw/zinc/94/36/90/663943690.db2.gz KDFJUJFVTKNOSX-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024446883 663943692 /nfs/dbraw/zinc/94/36/92/663943692.db2.gz KDFJUJFVTKNOSX-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024446883 663943694 /nfs/dbraw/zinc/94/36/94/663943694.db2.gz KDFJUJFVTKNOSX-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCOC3=O)CC2)CC1 ZINC000066568069 664033048 /nfs/dbraw/zinc/03/30/48/664033048.db2.gz RIAFZZCDROTGBC-UHFFFAOYSA-N 2 1 352.479 0.705 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCCC[N@@H+]1CCO ZINC000892761392 664137884 /nfs/dbraw/zinc/13/78/84/664137884.db2.gz ZWDVSLBUQOQPBP-HZPDHXFCSA-N 2 1 354.495 0.291 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000892917837 664154387 /nfs/dbraw/zinc/15/43/87/664154387.db2.gz ANJFHPCENWHIFS-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000893238703 664218523 /nfs/dbraw/zinc/21/85/23/664218523.db2.gz OZYQMCBBABELMU-INIZCTEOSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnn(C)n3)CC2)O1 ZINC001026514344 664239580 /nfs/dbraw/zinc/23/95/80/664239580.db2.gz AUZXDXJDRFASJY-UWLZSVRSSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001026852339 664271036 /nfs/dbraw/zinc/27/10/36/664271036.db2.gz MGKMCKHVMUWAPB-QLFBSQMISA-N 2 1 352.458 0.526 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000975305671 664312168 /nfs/dbraw/zinc/31/21/68/664312168.db2.gz CIYZFQNYLNQNMF-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCSC1 ZINC000893418510 664356783 /nfs/dbraw/zinc/35/67/83/664356783.db2.gz YHVYPXXVJRLNMH-ZOBUZTSGSA-N 2 1 356.536 0.664 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001027416342 664396734 /nfs/dbraw/zinc/39/67/34/664396734.db2.gz FLDCSNGGBQOTCP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC001027416342 664396737 /nfs/dbraw/zinc/39/67/37/664396737.db2.gz FLDCSNGGBQOTCP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC001027416342 664396738 /nfs/dbraw/zinc/39/67/38/664396738.db2.gz FLDCSNGGBQOTCP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001027418780 664398480 /nfs/dbraw/zinc/39/84/80/664398480.db2.gz JGBOPAIEESXKCP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001027418780 664398482 /nfs/dbraw/zinc/39/84/82/664398482.db2.gz JGBOPAIEESXKCP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001027418780 664398484 /nfs/dbraw/zinc/39/84/84/664398484.db2.gz JGBOPAIEESXKCP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001027418780 664398487 /nfs/dbraw/zinc/39/84/87/664398487.db2.gz JGBOPAIEESXKCP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000978892375 664449431 /nfs/dbraw/zinc/44/94/31/664449431.db2.gz YGQWZFDPCHTJPC-UUAJXVIYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000979871040 664464947 /nfs/dbraw/zinc/46/49/47/664464947.db2.gz FUNOBQATRRXVDC-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000979871040 664464949 /nfs/dbraw/zinc/46/49/49/664464949.db2.gz FUNOBQATRRXVDC-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000979857630 664465000 /nfs/dbraw/zinc/46/50/00/664465000.db2.gz CYQOBILPLJICCU-VIQHNZTISA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000979857630 664465001 /nfs/dbraw/zinc/46/50/01/664465001.db2.gz CYQOBILPLJICCU-VIQHNZTISA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000979857630 664465004 /nfs/dbraw/zinc/46/50/04/664465004.db2.gz CYQOBILPLJICCU-VIQHNZTISA-N 2 1 350.507 0.822 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981686518 664835894 /nfs/dbraw/zinc/83/58/94/664835894.db2.gz NGCQEUSZVFNKOL-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282625 664864158 /nfs/dbraw/zinc/86/41/58/664864158.db2.gz DANOPPMFZWENDN-TZNWLIJBSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282625 664864160 /nfs/dbraw/zinc/86/41/60/664864160.db2.gz DANOPPMFZWENDN-TZNWLIJBSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282625 664864163 /nfs/dbraw/zinc/86/41/63/664864163.db2.gz DANOPPMFZWENDN-TZNWLIJBSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(CC)C3=O)C2)CC[N@H+]1C ZINC000983713171 664985452 /nfs/dbraw/zinc/98/54/52/664985452.db2.gz GWIPFGVSICTLEA-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H]([NH2+]Cc1cnon1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112113 664986415 /nfs/dbraw/zinc/98/64/15/664986415.db2.gz VRUSIGJJHUNSJE-DVOMOZLQSA-N 2 1 351.451 0.505 20 0 FCADMP C[C@H]([NH2+]Cc1cnon1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112113 664986417 /nfs/dbraw/zinc/98/64/17/664986417.db2.gz VRUSIGJJHUNSJE-DVOMOZLQSA-N 2 1 351.451 0.505 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984017307 665013990 /nfs/dbraw/zinc/01/39/90/665013990.db2.gz ZENZDJRURDUHIT-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984017307 665013995 /nfs/dbraw/zinc/01/39/95/665013995.db2.gz ZENZDJRURDUHIT-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984016224 665014123 /nfs/dbraw/zinc/01/41/23/665014123.db2.gz TVHYPHKACPDLMM-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984016224 665014125 /nfs/dbraw/zinc/01/41/25/665014125.db2.gz TVHYPHKACPDLMM-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000895205346 665029376 /nfs/dbraw/zinc/02/93/76/665029376.db2.gz AAEJEECMFDRMIK-HNNXBMFYSA-N 2 1 355.479 0.811 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986483101 665215465 /nfs/dbraw/zinc/21/54/65/665215465.db2.gz QMHBGTUWCQDUKP-LTIDMASMSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)C[C@H]3CCOC3)CC2)O1 ZINC001029973434 665221878 /nfs/dbraw/zinc/22/18/78/665221878.db2.gz BJPUJUZDCFZALH-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)C[C@H]3CCOC3)CC2)O1 ZINC001029973434 665221880 /nfs/dbraw/zinc/22/18/80/665221880.db2.gz BJPUJUZDCFZALH-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)C[C@H]3CCOC3)CC2)O1 ZINC001029973434 665221883 /nfs/dbraw/zinc/22/18/83/665221883.db2.gz BJPUJUZDCFZALH-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)C[C@H]3CCOC3)CC2)O1 ZINC001029973434 665221886 /nfs/dbraw/zinc/22/18/86/665221886.db2.gz BJPUJUZDCFZALH-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897433240 665258672 /nfs/dbraw/zinc/25/86/72/665258672.db2.gz SPCFFPCJIRZPOU-MRXNPFEDSA-N 2 1 353.511 0.524 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000988099848 665275526 /nfs/dbraw/zinc/27/55/26/665275526.db2.gz XQLALKRUDPKLGX-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CC[N@H+](C)CC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000905185568 666009766 /nfs/dbraw/zinc/00/97/66/666009766.db2.gz WSABARPIIIZIJE-UHFFFAOYSA-N 2 1 352.523 0.631 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000905185568 666009768 /nfs/dbraw/zinc/00/97/68/666009768.db2.gz WSABARPIIIZIJE-UHFFFAOYSA-N 2 1 352.523 0.631 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000906358356 666052314 /nfs/dbraw/zinc/05/23/14/666052314.db2.gz HMIQVQXONDDSAQ-MWDXBVQZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000906813480 666069134 /nfs/dbraw/zinc/06/91/34/666069134.db2.gz DGYBUTHPPAATKE-INIZCTEOSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000907515697 666140664 /nfs/dbraw/zinc/14/06/64/666140664.db2.gz CLYOGPYLQXLHAR-QZTJIDSGSA-N 2 1 354.539 0.706 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000910985403 666302063 /nfs/dbraw/zinc/30/20/63/666302063.db2.gz XNRQVURGOQXGLC-HRCADAONSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000938609037 666474715 /nfs/dbraw/zinc/47/47/15/666474715.db2.gz ILDKEGXFVVRWTP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992696 666490534 /nfs/dbraw/zinc/49/05/34/666490534.db2.gz KTXWWHULORPCFQ-LPHOPBHVSA-N 2 1 353.507 0.840 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992698 666490540 /nfs/dbraw/zinc/49/05/40/666490540.db2.gz KTXWWHULORPCFQ-VQIMIIECSA-N 2 1 353.507 0.840 20 0 FCADMP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765925 666495990 /nfs/dbraw/zinc/49/59/90/666495990.db2.gz VEWOAKXYLUALOG-IUODEOHRSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765925 666495993 /nfs/dbraw/zinc/49/59/93/666495993.db2.gz VEWOAKXYLUALOG-IUODEOHRSA-N 2 1 352.504 0.761 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886784 666531038 /nfs/dbraw/zinc/53/10/38/666531038.db2.gz ACCGDVDFKZMTPC-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000941220038 666594081 /nfs/dbraw/zinc/59/40/81/666594081.db2.gz KYAJMXSTFUXCGM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000941220038 666594085 /nfs/dbraw/zinc/59/40/85/666594085.db2.gz KYAJMXSTFUXCGM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000941220038 666594089 /nfs/dbraw/zinc/59/40/89/666594089.db2.gz KYAJMXSTFUXCGM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942816199 666751221 /nfs/dbraw/zinc/75/12/21/666751221.db2.gz PWKRGJROMBSCAN-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000943268408 666767870 /nfs/dbraw/zinc/76/78/70/666767870.db2.gz BEBLDZASBVLBIR-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000996602482 666943316 /nfs/dbraw/zinc/94/33/16/666943316.db2.gz JBADVMOUWGBHOK-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996602884 666943335 /nfs/dbraw/zinc/94/33/35/666943335.db2.gz IERQELMQLTXLFY-BHYGNILZSA-N 2 1 371.547 0.732 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734242770 666958321 /nfs/dbraw/zinc/95/83/21/666958321.db2.gz LKAFTWMUJAOXLB-GOSISDBHSA-N 2 1 352.523 0.774 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276471 666959049 /nfs/dbraw/zinc/95/90/49/666959049.db2.gz CYENDMCNCZNBEW-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994033601 666964641 /nfs/dbraw/zinc/96/46/41/666964641.db2.gz RYNLATOGVGPPRN-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001032473346 667150655 /nfs/dbraw/zinc/15/06/55/667150655.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 1 364.515 0.998 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001032473346 667150656 /nfs/dbraw/zinc/15/06/56/667150656.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 1 364.515 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000997787403 667176090 /nfs/dbraw/zinc/17/60/90/667176090.db2.gz ZQQFUDSFYMAWPK-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000186397478 667205808 /nfs/dbraw/zinc/20/58/08/667205808.db2.gz WEPPYGYRIYKVKZ-GJZGRUSLSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccns3)C2)O1 ZINC000999497947 667240867 /nfs/dbraw/zinc/24/08/67/667240867.db2.gz TUVFIURRLZTEIL-IIAWOOMASA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccns3)C2)O1 ZINC000999497947 667240872 /nfs/dbraw/zinc/24/08/72/667240872.db2.gz TUVFIURRLZTEIL-IIAWOOMASA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001002246388 667526771 /nfs/dbraw/zinc/52/67/71/667526771.db2.gz OQVYKNFZFCECBU-RHSMWYFYSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922348675 667642472 /nfs/dbraw/zinc/64/24/72/667642472.db2.gz ZFMLZMBWILCZLU-SFHVURJKSA-N 2 1 352.523 0.631 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001033100217 667673519 /nfs/dbraw/zinc/67/35/19/667673519.db2.gz VONQCRHCHXVCLJ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001005407257 667740373 /nfs/dbraw/zinc/74/03/73/667740373.db2.gz OJAPSZRHPKEVRX-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001005414328 667740536 /nfs/dbraw/zinc/74/05/36/667740536.db2.gz FMPFNFLYRIDQPO-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)O1 ZINC001034675591 667763850 /nfs/dbraw/zinc/76/38/50/667763850.db2.gz QOKBIOPJRKZHCR-IXYNUQLISA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)O1 ZINC001034675591 667763852 /nfs/dbraw/zinc/76/38/52/667763852.db2.gz QOKBIOPJRKZHCR-IXYNUQLISA-N 2 1 350.467 0.051 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186466 667775469 /nfs/dbraw/zinc/77/54/69/667775469.db2.gz CYUCGXZHYGFTCQ-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186466 667775472 /nfs/dbraw/zinc/77/54/72/667775472.db2.gz CYUCGXZHYGFTCQ-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186466 667775476 /nfs/dbraw/zinc/77/54/76/667775476.db2.gz CYUCGXZHYGFTCQ-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923283065 667821712 /nfs/dbraw/zinc/82/17/12/667821712.db2.gz ZNFBIRXTTXHRIP-KBPBESRZSA-N 2 1 355.866 0.867 20 0 FCADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1 ZINC000923312236 667823931 /nfs/dbraw/zinc/82/39/31/667823931.db2.gz IWTBKYSWVUDJET-FZCLSBEQSA-N 2 1 367.515 0.836 20 0 FCADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1 ZINC000923312236 667823934 /nfs/dbraw/zinc/82/39/34/667823934.db2.gz IWTBKYSWVUDJET-FZCLSBEQSA-N 2 1 367.515 0.836 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380564 667829408 /nfs/dbraw/zinc/82/94/08/667829408.db2.gz OXMHDHFMLIEOAJ-IXDOHACOSA-N 2 1 354.495 0.240 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000923403533 667831850 /nfs/dbraw/zinc/83/18/50/667831850.db2.gz DIRFGJHNLPTKLD-HOTGVXAUSA-N 2 1 353.511 0.698 20 0 FCADMP COc1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000961988270 674852885 /nfs/dbraw/zinc/85/28/85/674852885.db2.gz FEWPAGKWKYGPAQ-XZNOPERXSA-N 2 1 352.435 0.387 20 0 FCADMP COc1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000961988270 674852887 /nfs/dbraw/zinc/85/28/87/674852887.db2.gz FEWPAGKWKYGPAQ-XZNOPERXSA-N 2 1 352.435 0.387 20 0 FCADMP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961991971 674853356 /nfs/dbraw/zinc/85/33/56/674853356.db2.gz VPOVWAVVZUPILZ-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961991971 674853357 /nfs/dbraw/zinc/85/33/57/674853357.db2.gz VPOVWAVVZUPILZ-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000946916373 667847952 /nfs/dbraw/zinc/84/79/52/667847952.db2.gz WMXSERDIYVEDKH-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000946916373 667847955 /nfs/dbraw/zinc/84/79/55/667847955.db2.gz WMXSERDIYVEDKH-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000946916373 667847958 /nfs/dbraw/zinc/84/79/58/667847958.db2.gz WMXSERDIYVEDKH-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000739020058 667935381 /nfs/dbraw/zinc/93/53/81/667935381.db2.gz CFADZUQVDTXQIJ-SJORKVTESA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000774839934 668177124 /nfs/dbraw/zinc/17/71/24/668177124.db2.gz CHAJZFQPPDYRMH-HUUCEWRRSA-N 2 1 350.463 0.989 20 0 FCADMP CC(=O)N1CC[C@@H](C[N@@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376018 668875832 /nfs/dbraw/zinc/87/58/32/668875832.db2.gz UMPDNGZRESSADW-YJBOKZPZSA-N 2 1 350.463 0.661 20 0 FCADMP CC(=O)N1CC[C@@H](C[N@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376018 668875833 /nfs/dbraw/zinc/87/58/33/668875833.db2.gz UMPDNGZRESSADW-YJBOKZPZSA-N 2 1 350.463 0.661 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000793694842 668941358 /nfs/dbraw/zinc/94/13/58/668941358.db2.gz BUHWFWAUYLEEML-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000818969321 668966542 /nfs/dbraw/zinc/96/65/42/668966542.db2.gz CSUYLLCANSXOTG-OCCSQVGLSA-N 2 1 350.385 0.605 20 0 FCADMP Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000818969321 668966544 /nfs/dbraw/zinc/96/65/44/668966544.db2.gz CSUYLLCANSXOTG-OCCSQVGLSA-N 2 1 350.385 0.605 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819059582 668975923 /nfs/dbraw/zinc/97/59/23/668975923.db2.gz DDYGOLMFFMAMEC-CQSZACIVSA-N 2 1 358.483 0.016 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN(C)C(=O)OC ZINC000822789393 669294507 /nfs/dbraw/zinc/29/45/07/669294507.db2.gz GLLUSZFERSXUKP-OAHLLOKOSA-N 2 1 357.499 0.742 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000822962050 669309641 /nfs/dbraw/zinc/30/96/41/669309641.db2.gz PULYRBZCVKDZIE-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP CC[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1)C(N)=O ZINC000963823287 675008456 /nfs/dbraw/zinc/00/84/56/675008456.db2.gz BIMHKFWRGFHFQI-CUKQXQEQSA-N 2 1 350.507 0.998 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000825298147 669446988 /nfs/dbraw/zinc/44/69/88/669446988.db2.gz LKCIBPOIYMINQL-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825298147 669446993 /nfs/dbraw/zinc/44/69/93/669446993.db2.gz LKCIBPOIYMINQL-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H]2CCOC2)C3)O1 ZINC000964032618 675036523 /nfs/dbraw/zinc/03/65/23/675036523.db2.gz XUEIMJJPAAERDR-XUGZGYCZSA-N 2 1 351.491 0.759 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H]2CCOC2)C3)O1 ZINC000964032618 675036527 /nfs/dbraw/zinc/03/65/27/675036527.db2.gz XUEIMJJPAAERDR-XUGZGYCZSA-N 2 1 351.491 0.759 20 0 FCADMP CSC1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+](C)CC1 ZINC000811876806 669776854 /nfs/dbraw/zinc/77/68/54/669776854.db2.gz ZZVZHYXGRGVGRM-HUUCEWRRSA-N 2 1 356.536 0.976 20 0 FCADMP CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000965950299 675113794 /nfs/dbraw/zinc/11/37/94/675113794.db2.gz FWDWNUBTJVRBFR-KLHDSHLOSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000841006678 670531359 /nfs/dbraw/zinc/53/13/59/670531359.db2.gz HKELSDIEKHDMSO-MRXNPFEDSA-N 2 1 354.495 0.984 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2Cl)CC1 ZINC000841175086 670538878 /nfs/dbraw/zinc/53/88/78/670538878.db2.gz OHJXMEJDMNJQOJ-UHFFFAOYSA-N 2 1 351.838 0.118 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841202320 670540738 /nfs/dbraw/zinc/54/07/38/670540738.db2.gz AYPUZNCXLHPKEF-LBPRGKRZSA-N 2 1 367.881 0.884 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841213706 670541097 /nfs/dbraw/zinc/54/10/97/670541097.db2.gz QDNBYNRUMJFGBK-LLVKDONJSA-N 2 1 353.854 0.494 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000843248146 670783754 /nfs/dbraw/zinc/78/37/54/670783754.db2.gz JODZFGCSGNYKDB-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000843248146 670783761 /nfs/dbraw/zinc/78/37/61/670783761.db2.gz JODZFGCSGNYKDB-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843346424 670802809 /nfs/dbraw/zinc/80/28/09/670802809.db2.gz GULDFBQOQWALKW-ZDUSSCGKSA-N 2 1 351.451 0.333 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355054 670805003 /nfs/dbraw/zinc/80/50/03/670805003.db2.gz KVAPMFYUQATZJW-UHFFFAOYSA-N 2 1 354.476 0.783 20 0 FCADMP [NH3+]CCCCCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000843511530 670835364 /nfs/dbraw/zinc/83/53/64/670835364.db2.gz NQSQAPGQDLOAAD-MRXNPFEDSA-N 2 1 354.495 0.335 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000967850306 675164212 /nfs/dbraw/zinc/16/42/12/675164212.db2.gz SKQPAPLUGHJVHX-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000967850306 675164213 /nfs/dbraw/zinc/16/42/13/675164213.db2.gz SKQPAPLUGHJVHX-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000967850306 675164215 /nfs/dbraw/zinc/16/42/15/675164215.db2.gz SKQPAPLUGHJVHX-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646258 671134594 /nfs/dbraw/zinc/13/45/94/671134594.db2.gz BFLXJZGQPNJDGP-GJZGRUSLSA-N 2 1 352.479 0.461 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968009725 675177571 /nfs/dbraw/zinc/17/75/71/675177571.db2.gz AFCSZRSWCXJTAI-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000968009725 675177573 /nfs/dbraw/zinc/17/75/73/675177573.db2.gz AFCSZRSWCXJTAI-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000968009725 675177576 /nfs/dbraw/zinc/17/75/76/675177576.db2.gz AFCSZRSWCXJTAI-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000848992613 671315742 /nfs/dbraw/zinc/31/57/42/671315742.db2.gz NCBQSMVATZBSOY-CVEARBPZSA-N 2 1 354.495 0.390 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051623 671316346 /nfs/dbraw/zinc/31/63/46/671316346.db2.gz RGNHFDLYNHFVSX-ZDUSSCGKSA-N 2 1 367.416 0.086 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048827661 675899399 /nfs/dbraw/zinc/89/93/99/675899399.db2.gz AHGRCEVUXDLXBY-XUWVNRHRSA-N 2 1 357.520 0.152 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048827661 675899402 /nfs/dbraw/zinc/89/94/02/675899402.db2.gz AHGRCEVUXDLXBY-XUWVNRHRSA-N 2 1 357.520 0.152 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)CC[NH+]1C ZINC001048827661 675899404 /nfs/dbraw/zinc/89/94/04/675899404.db2.gz AHGRCEVUXDLXBY-XUWVNRHRSA-N 2 1 357.520 0.152 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)CC[NH+]1C ZINC001048827661 675899406 /nfs/dbraw/zinc/89/94/06/675899406.db2.gz AHGRCEVUXDLXBY-XUWVNRHRSA-N 2 1 357.520 0.152 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851667069 671455793 /nfs/dbraw/zinc/45/57/93/671455793.db2.gz KRBZABMVRASDQE-MGPQQGTHSA-N 2 1 358.433 0.926 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000853347848 671546666 /nfs/dbraw/zinc/54/66/66/671546666.db2.gz RSUVFKQMRQTFDK-HZPDHXFCSA-N 2 1 355.527 0.768 20 0 FCADMP COCCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903719237 675963501 /nfs/dbraw/zinc/96/35/01/675963501.db2.gz WYQCAQXQBMUTAO-JKSUJKDBSA-N 2 1 360.520 0.671 20 0 FCADMP COCCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903719237 675963503 /nfs/dbraw/zinc/96/35/03/675963503.db2.gz WYQCAQXQBMUTAO-JKSUJKDBSA-N 2 1 360.520 0.671 20 0 FCADMP COCc1noc(CN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903755717 675968245 /nfs/dbraw/zinc/96/82/45/675968245.db2.gz KTAYDIGOAARIHK-PBHICJAKSA-N 2 1 351.451 0.102 20 0 FCADMP COCc1noc(CN2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903755718 675968288 /nfs/dbraw/zinc/96/82/88/675968288.db2.gz KTAYDIGOAARIHK-RHSMWYFYSA-N 2 1 351.451 0.102 20 0 FCADMP CSCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055510803 676021883 /nfs/dbraw/zinc/02/18/83/676021883.db2.gz PUVOCTUXSQRKDI-UKRRQHHQSA-N 2 1 356.536 0.386 20 0 FCADMP COC(=O)[C@@]1(C)C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@@H]1C ZINC000872634970 672649906 /nfs/dbraw/zinc/64/99/06/672649906.db2.gz GFFOMXRKUZQTMP-KKXDTOCCSA-N 2 1 351.447 0.992 20 0 FCADMP COC(=O)[C@@]1(C)C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@@H]1C ZINC000872634970 672649912 /nfs/dbraw/zinc/64/99/12/672649912.db2.gz GFFOMXRKUZQTMP-KKXDTOCCSA-N 2 1 351.447 0.992 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001001419380 676071535 /nfs/dbraw/zinc/07/15/35/676071535.db2.gz UGZUUCOGQXDRSO-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CON(C)C(=O)[C@H](C)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875896730 672925861 /nfs/dbraw/zinc/92/58/61/672925861.db2.gz QLMIERKDHOQYAR-ZFWWWQNUSA-N 2 1 355.483 0.205 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC[C@H]3CCOC3)CC2)O1 ZINC001001531697 676075553 /nfs/dbraw/zinc/07/55/53/676075553.db2.gz GVAKJNZYIFKRCA-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC[C@H]3CCOC3)CC2)O1 ZINC001001531697 676075555 /nfs/dbraw/zinc/07/55/55/676075555.db2.gz GVAKJNZYIFKRCA-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876928611 672988334 /nfs/dbraw/zinc/98/83/34/672988334.db2.gz KUIKLMFPQUQHNM-UHFFFAOYSA-N 2 1 354.520 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@@H+]1C ZINC001051623853 676106619 /nfs/dbraw/zinc/10/66/19/676106619.db2.gz JUYHBXCVAZQVMO-SOUVJXGZSA-N 2 1 350.467 0.160 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@H+]1C ZINC001051623853 676106620 /nfs/dbraw/zinc/10/66/20/676106620.db2.gz JUYHBXCVAZQVMO-SOUVJXGZSA-N 2 1 350.467 0.160 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC001051624242 676107140 /nfs/dbraw/zinc/10/71/40/676107140.db2.gz OCPMVRUSTPGAPT-VHDGCEQUSA-N 2 1 353.492 0.585 20 0 FCADMP Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680766 676108356 /nfs/dbraw/zinc/10/83/56/676108356.db2.gz RIWSGUHQFDLEOH-UHOFOFEASA-N 2 1 352.435 0.019 20 0 FCADMP Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680766 676108357 /nfs/dbraw/zinc/10/83/57/676108357.db2.gz RIWSGUHQFDLEOH-UHOFOFEASA-N 2 1 352.435 0.019 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680765 676108423 /nfs/dbraw/zinc/10/84/23/676108423.db2.gz RIWSGUHQFDLEOH-DAXOMENPSA-N 2 1 352.435 0.019 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680765 676108425 /nfs/dbraw/zinc/10/84/25/676108425.db2.gz RIWSGUHQFDLEOH-DAXOMENPSA-N 2 1 352.435 0.019 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051680493 676108445 /nfs/dbraw/zinc/10/84/45/676108445.db2.gz NPUWRSJHHMTASZ-XNRPHZJLSA-N 2 1 368.503 0.488 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051680493 676108450 /nfs/dbraw/zinc/10/84/50/676108450.db2.gz NPUWRSJHHMTASZ-XNRPHZJLSA-N 2 1 368.503 0.488 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)CC[N@H+]1C ZINC001052031266 676113075 /nfs/dbraw/zinc/11/30/75/676113075.db2.gz IPGWFKKLMZAFFP-FGTMMUONSA-N 2 1 352.523 0.318 20 0 FCADMP Cn1nc2c(c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CSCC2 ZINC000882985284 673362508 /nfs/dbraw/zinc/36/25/08/673362508.db2.gz QJJOHOXMVBDPKX-ZDUSSCGKSA-N 2 1 351.520 0.886 20 0 FCADMP Cn1nc2c(c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CSCC2 ZINC000882985284 673362511 /nfs/dbraw/zinc/36/25/11/673362511.db2.gz QJJOHOXMVBDPKX-ZDUSSCGKSA-N 2 1 351.520 0.886 20 0 FCADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883178339 673368460 /nfs/dbraw/zinc/36/84/60/673368460.db2.gz URCTXTXMSBNEBL-OAHLLOKOSA-N 2 1 351.495 0.596 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883178338 673368624 /nfs/dbraw/zinc/36/86/24/673368624.db2.gz URCTXTXMSBNEBL-HNNXBMFYSA-N 2 1 351.495 0.596 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416441 673374387 /nfs/dbraw/zinc/37/43/87/673374387.db2.gz VBIRJHVYRCIUIH-IRXDYDNUSA-N 2 1 351.491 0.858 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416439 673374468 /nfs/dbraw/zinc/37/44/68/673374468.db2.gz VBIRJHVYRCIUIH-DLBZAZTESA-N 2 1 351.491 0.858 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883458352 673376890 /nfs/dbraw/zinc/37/68/90/673376890.db2.gz GIMYVVKQMNDCMT-QGZVFWFLSA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883458351 673376955 /nfs/dbraw/zinc/37/69/55/673376955.db2.gz GIMYVVKQMNDCMT-KRWDZBQOSA-N 2 1 356.511 0.897 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884502367 673457607 /nfs/dbraw/zinc/45/76/07/673457607.db2.gz INNPVEWGGJILBY-NXOAAHMSSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000884522532 673459434 /nfs/dbraw/zinc/45/94/34/673459434.db2.gz AOQUUDBQEFXHBE-YUELXQCFSA-N 2 1 362.499 0.574 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000884522532 673459436 /nfs/dbraw/zinc/45/94/36/673459436.db2.gz AOQUUDBQEFXHBE-YUELXQCFSA-N 2 1 362.499 0.574 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884555657 673461905 /nfs/dbraw/zinc/46/19/05/673461905.db2.gz WXGPGCPFPJMENM-MUKKUYKPSA-N 2 1 350.507 0.809 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884631805 673467985 /nfs/dbraw/zinc/46/79/85/673467985.db2.gz YKZCFQTUKYHQTR-BEFAXECRSA-N 2 1 350.507 0.810 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884658843 673470438 /nfs/dbraw/zinc/47/04/38/673470438.db2.gz AGXJBLYIGZLTNQ-NEPJUHHUSA-N 2 1 352.401 0.430 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000884775877 673481272 /nfs/dbraw/zinc/48/12/72/673481272.db2.gz KUXJDGUDVYRSEV-MELADBBJSA-N 2 1 358.433 0.481 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884876933 673487942 /nfs/dbraw/zinc/48/79/42/673487942.db2.gz PYUBWXRDGASOLJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885009844 673497569 /nfs/dbraw/zinc/49/75/69/673497569.db2.gz DVYPPLBNGPPRAS-WCXIOVBPSA-N 2 1 350.507 0.727 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066596 673618189 /nfs/dbraw/zinc/61/81/89/673618189.db2.gz PILCPZNVCMVBBJ-OAHLLOKOSA-N 2 1 364.515 0.645 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000887079635 673620507 /nfs/dbraw/zinc/62/05/07/673620507.db2.gz WGIRHVVLJONVFY-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000887607191 673635240 /nfs/dbraw/zinc/63/52/40/673635240.db2.gz YJLBNOGETRGJGO-UONOGXRCSA-N 2 1 351.451 0.644 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889749504 673685039 /nfs/dbraw/zinc/68/50/39/673685039.db2.gz IGPXJNRRCNHWLW-ZWKOTPCHSA-N 2 1 352.523 0.460 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890143667 673708084 /nfs/dbraw/zinc/70/80/84/673708084.db2.gz XCVAJWQTWLHVET-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890143667 673708086 /nfs/dbraw/zinc/70/80/86/673708086.db2.gz XCVAJWQTWLHVET-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000925444019 673792416 /nfs/dbraw/zinc/79/24/16/673792416.db2.gz AYMFCLGLOLATQL-CVEARBPZSA-N 2 1 350.463 0.646 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000925555995 673793838 /nfs/dbraw/zinc/79/38/38/673793838.db2.gz JGWIDXMDJKVVBX-BRWVUGGUSA-N 2 1 351.491 0.639 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000927633757 673871851 /nfs/dbraw/zinc/87/18/51/673871851.db2.gz CLAMSNCWWRHSQK-UXLLHSPISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@H](C)[NH+]1CCO ZINC000927633757 673871853 /nfs/dbraw/zinc/87/18/53/673871853.db2.gz CLAMSNCWWRHSQK-UXLLHSPISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@H](C)[NH+]1CCO ZINC000927633757 673871855 /nfs/dbraw/zinc/87/18/55/673871855.db2.gz CLAMSNCWWRHSQK-UXLLHSPISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929429118 673956017 /nfs/dbraw/zinc/95/60/17/673956017.db2.gz XEVQNZVUPAZECE-ZSYWTGECSA-N 2 1 355.523 0.379 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929429118 673956018 /nfs/dbraw/zinc/95/60/18/673956018.db2.gz XEVQNZVUPAZECE-ZSYWTGECSA-N 2 1 355.523 0.379 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000930178794 674004229 /nfs/dbraw/zinc/00/42/29/674004229.db2.gz BCGZFFFOBNJNIS-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000930178794 674004232 /nfs/dbraw/zinc/00/42/32/674004232.db2.gz BCGZFFFOBNJNIS-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000930178794 674004235 /nfs/dbraw/zinc/00/42/35/674004235.db2.gz BCGZFFFOBNJNIS-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000930178794 674004238 /nfs/dbraw/zinc/00/42/38/674004238.db2.gz BCGZFFFOBNJNIS-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001007370172 675288116 /nfs/dbraw/zinc/28/81/16/675288116.db2.gz WQOAUJMLGGKLIB-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1)[NH+](C)C ZINC001007982037 675305151 /nfs/dbraw/zinc/30/51/51/675305151.db2.gz AYDCTCCCMIPJEP-MKSNKDDYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC001011211123 675377479 /nfs/dbraw/zinc/37/74/79/675377479.db2.gz YNTAYKNRTMGSOB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC001011211123 675377482 /nfs/dbraw/zinc/37/74/82/675377482.db2.gz YNTAYKNRTMGSOB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC001011211123 675377484 /nfs/dbraw/zinc/37/74/84/675377484.db2.gz YNTAYKNRTMGSOB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1nc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001020286578 675439343 /nfs/dbraw/zinc/43/93/43/675439343.db2.gz DUDNQHHIMWEWBY-RAEVTNRLSA-N 2 1 352.504 0.950 20 0 FCADMP Cc1nc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001020286578 675439346 /nfs/dbraw/zinc/43/93/46/675439346.db2.gz DUDNQHHIMWEWBY-RAEVTNRLSA-N 2 1 352.504 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001042750449 675543419 /nfs/dbraw/zinc/54/34/19/675543419.db2.gz ZKLFEVZWDQTJGJ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001045443360 675653679 /nfs/dbraw/zinc/65/36/79/675653679.db2.gz MIXMKLJZPHZFII-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001045443329 675653794 /nfs/dbraw/zinc/65/37/94/675653794.db2.gz LBHDOOUTAXVTAH-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC4CC4)C3)CC2)O1 ZINC001046039497 675682322 /nfs/dbraw/zinc/68/23/22/675682322.db2.gz ZOOHURQBFSSYIV-BPQIPLTHSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC4CC4)C3)CC2)O1 ZINC001046039497 675682324 /nfs/dbraw/zinc/68/23/24/675682324.db2.gz ZOOHURQBFSSYIV-BPQIPLTHSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CC4CC4)C3)CC2)O1 ZINC001046039497 675682326 /nfs/dbraw/zinc/68/23/26/675682326.db2.gz ZOOHURQBFSSYIV-BPQIPLTHSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC4CC4)C3)CC2)O1 ZINC001046039497 675682330 /nfs/dbraw/zinc/68/23/30/675682330.db2.gz ZOOHURQBFSSYIV-BPQIPLTHSA-N 2 1 350.507 0.334 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612572 675699692 /nfs/dbraw/zinc/69/96/92/675699692.db2.gz KGFBQYJLRYXEDL-MRXNPFEDSA-N 2 1 351.495 0.372 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612572 675699693 /nfs/dbraw/zinc/69/96/93/675699693.db2.gz KGFBQYJLRYXEDL-MRXNPFEDSA-N 2 1 351.495 0.372 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCCC3CCC3)C[C@@H]2O)O1 ZINC001047428223 675799247 /nfs/dbraw/zinc/79/92/47/675799247.db2.gz FLPXDJSNGKSFAL-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCCC3CCC3)C[C@@H]2O)O1 ZINC001047428223 675799251 /nfs/dbraw/zinc/79/92/51/675799251.db2.gz FLPXDJSNGKSFAL-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCCC3CCC3)C[C@@H]2O)O1 ZINC001047428223 675799255 /nfs/dbraw/zinc/79/92/55/675799255.db2.gz FLPXDJSNGKSFAL-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2O)O1 ZINC001047428223 675799258 /nfs/dbraw/zinc/79/92/58/675799258.db2.gz FLPXDJSNGKSFAL-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075906767 1192182175 /nfs/dbraw/zinc/18/21/75/1192182175.db2.gz YTVXUMMCQQDNAQ-YESZJQIVSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075906767 1192182184 /nfs/dbraw/zinc/18/21/84/1192182184.db2.gz YTVXUMMCQQDNAQ-YESZJQIVSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075906767 1192182189 /nfs/dbraw/zinc/18/21/89/1192182189.db2.gz YTVXUMMCQQDNAQ-YESZJQIVSA-N 2 1 363.506 0.419 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000897484449 1192184427 /nfs/dbraw/zinc/18/44/27/1192184427.db2.gz PLSIWTOKVFKJKV-HZPDHXFCSA-N 2 1 371.485 0.719 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000969126002 1167737132 /nfs/dbraw/zinc/73/71/32/1167737132.db2.gz IGURABMFZKYDLB-WCXIOVBPSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000969126002 1167737143 /nfs/dbraw/zinc/73/71/43/1167737143.db2.gz IGURABMFZKYDLB-WCXIOVBPSA-N 2 1 359.474 0.734 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000969705707 1168068131 /nfs/dbraw/zinc/06/81/31/1168068131.db2.gz ATYFMPKARCKDED-CWRNSKLLSA-N 2 1 364.490 0.302 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3CN(CCn4cccn4)C[C@@H]32)C1 ZINC001083192728 1168164596 /nfs/dbraw/zinc/16/45/96/1168164596.db2.gz MPXYQSXGNGLZPE-DLBZAZTESA-N 2 1 361.490 0.527 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCn4cccn4)C[C@@H]32)C1 ZINC001083192728 1168164603 /nfs/dbraw/zinc/16/46/03/1168164603.db2.gz MPXYQSXGNGLZPE-DLBZAZTESA-N 2 1 361.490 0.527 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCn4cccn4)C[C@@H]32)C1 ZINC001083192728 1168164614 /nfs/dbraw/zinc/16/46/14/1168164614.db2.gz MPXYQSXGNGLZPE-DLBZAZTESA-N 2 1 361.490 0.527 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]32)C1 ZINC001083192728 1168164632 /nfs/dbraw/zinc/16/46/32/1168164632.db2.gz MPXYQSXGNGLZPE-DLBZAZTESA-N 2 1 361.490 0.527 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001167096207 1168207644 /nfs/dbraw/zinc/20/76/44/1168207644.db2.gz WMNPPVBISSUGOC-UAGQMJEPSA-N 2 1 371.489 0.712 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001719580924 1168436277 /nfs/dbraw/zinc/43/62/77/1168436277.db2.gz NLKIDGOWPBHBHA-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001719580924 1168436279 /nfs/dbraw/zinc/43/62/79/1168436279.db2.gz NLKIDGOWPBHBHA-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001719580924 1168436281 /nfs/dbraw/zinc/43/62/81/1168436281.db2.gz NLKIDGOWPBHBHA-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083198462 1168467593 /nfs/dbraw/zinc/46/75/93/1168467593.db2.gz WJRXQCYNDBUIFY-ZAWLATJESA-N 2 1 374.485 0.862 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112481472 1168510233 /nfs/dbraw/zinc/51/02/33/1168510233.db2.gz NMRWKPVECNNHIH-OOOMTDJDSA-N 2 1 363.502 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCCC2)CC[N@@H+]1C ZINC001746233213 1192355960 /nfs/dbraw/zinc/35/59/60/1192355960.db2.gz QYKBGMYLBORRPI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCCC2)CC[N@H+]1C ZINC001746233213 1192355969 /nfs/dbraw/zinc/35/59/69/1192355969.db2.gz QYKBGMYLBORRPI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001746233213 1192355975 /nfs/dbraw/zinc/35/59/75/1192355975.db2.gz QYKBGMYLBORRPI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001746233213 1192355982 /nfs/dbraw/zinc/35/59/82/1192355982.db2.gz QYKBGMYLBORRPI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC001670516543 1169520401 /nfs/dbraw/zinc/52/04/01/1169520401.db2.gz BYBAMGDBLRDCLY-UHFFFAOYSA-N 2 1 365.526 0.982 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291756 1169656035 /nfs/dbraw/zinc/65/60/35/1169656035.db2.gz UCTXQSUDPRLVJU-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP CC(C)N(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482731224 1192374927 /nfs/dbraw/zinc/37/49/27/1192374927.db2.gz QBQYJBPSUIGRTC-BZUAXINKSA-N 2 1 356.511 0.039 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H](C)C(=O)NC ZINC001691042325 1169861312 /nfs/dbraw/zinc/86/13/12/1169861312.db2.gz IPJJNPYFONLCEK-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H](C)C(=O)NC ZINC001691042325 1169861316 /nfs/dbraw/zinc/86/13/16/1169861316.db2.gz IPJJNPYFONLCEK-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H](C)C(=O)NC ZINC001691042325 1169861320 /nfs/dbraw/zinc/86/13/20/1169861320.db2.gz IPJJNPYFONLCEK-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H](C)C(=O)NC ZINC001691042325 1169861327 /nfs/dbraw/zinc/86/13/27/1169861327.db2.gz IPJJNPYFONLCEK-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC001021703000 1169897567 /nfs/dbraw/zinc/89/75/67/1169897567.db2.gz VMLPHADRWJHSGL-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356187 1170005376 /nfs/dbraw/zinc/00/53/76/1170005376.db2.gz RLYKNFWJUDRQFA-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104347236 1170137536 /nfs/dbraw/zinc/13/75/36/1170137536.db2.gz TXILZRFIBYFFDV-KCYZZUKISA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104347236 1170137539 /nfs/dbraw/zinc/13/75/39/1170137539.db2.gz TXILZRFIBYFFDV-KCYZZUKISA-N 2 1 366.506 0.058 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CCC1 ZINC001021941090 1170328877 /nfs/dbraw/zinc/32/88/77/1170328877.db2.gz FLPBAYRODCQKDH-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038355 1170455854 /nfs/dbraw/zinc/45/58/54/1170455854.db2.gz OFNSGHKHOCIIEI-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104363735 1170490107 /nfs/dbraw/zinc/49/01/07/1170490107.db2.gz FDWZMWURUWVHAA-MGPQQGTHSA-N 2 1 369.510 0.374 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC000971569803 1170547172 /nfs/dbraw/zinc/54/71/72/1170547172.db2.gz XVMSTWNYMMDZKK-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022217308 1170765673 /nfs/dbraw/zinc/76/56/73/1170765673.db2.gz JYQIKBAHPLFSAX-YESZJQIVSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000124289030 1170783511 /nfs/dbraw/zinc/78/35/11/1170783511.db2.gz GVFWRWFSIQMCLR-RHSMWYFYSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000124289030 1170783519 /nfs/dbraw/zinc/78/35/19/1170783519.db2.gz GVFWRWFSIQMCLR-RHSMWYFYSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC001022276335 1170824023 /nfs/dbraw/zinc/82/40/23/1170824023.db2.gz HHQHGXZLYXGUPA-MXASKKJJSA-N 2 1 361.490 0.604 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC001022276335 1170824024 /nfs/dbraw/zinc/82/40/24/1170824024.db2.gz HHQHGXZLYXGUPA-MXASKKJJSA-N 2 1 361.490 0.604 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001022277284 1170824698 /nfs/dbraw/zinc/82/46/98/1170824698.db2.gz ZIFXYPKXYFFOHP-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001022277284 1170824699 /nfs/dbraw/zinc/82/46/99/1170824699.db2.gz ZIFXYPKXYFFOHP-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000891714379 1170833337 /nfs/dbraw/zinc/83/33/37/1170833337.db2.gz OSMNUQNOQCTSDL-INIZCTEOSA-N 2 1 360.506 0.974 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266868511 1170840490 /nfs/dbraw/zinc/84/04/90/1170840490.db2.gz WYFPUEJVNSDTHF-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083224967 1170841487 /nfs/dbraw/zinc/84/14/87/1170841487.db2.gz ZCMDYRZAYMDAJB-FGTMMUONSA-N 2 1 367.490 0.047 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083224967 1170841488 /nfs/dbraw/zinc/84/14/88/1170841488.db2.gz ZCMDYRZAYMDAJB-FGTMMUONSA-N 2 1 367.490 0.047 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891749820 1170843815 /nfs/dbraw/zinc/84/38/15/1170843815.db2.gz YNILULIPQBMXQI-IRXDYDNUSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891749820 1170843816 /nfs/dbraw/zinc/84/38/16/1170843816.db2.gz YNILULIPQBMXQI-IRXDYDNUSA-N 2 1 367.538 0.253 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)on1 ZINC001691256863 1170894850 /nfs/dbraw/zinc/89/48/50/1170894850.db2.gz KYTSLKCIKXLTSN-LSDHHAIUSA-N 2 1 366.462 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C1 ZINC001022391570 1170992034 /nfs/dbraw/zinc/99/20/34/1170992034.db2.gz ZNSDHCLJACYBTJ-DOTOQJQBSA-N 2 1 370.457 0.617 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001691268501 1171002727 /nfs/dbraw/zinc/00/27/27/1171002727.db2.gz RFADSNLNKXUSJD-HRCADAONSA-N 2 1 371.547 0.637 20 0 FCADMP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000933846882 1171019580 /nfs/dbraw/zinc/01/95/80/1171019580.db2.gz KSXYOLSZQAYVTK-MRXNPFEDSA-N 2 1 366.506 0.015 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000933846882 1171019589 /nfs/dbraw/zinc/01/95/89/1171019589.db2.gz KSXYOLSZQAYVTK-MRXNPFEDSA-N 2 1 366.506 0.015 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001691283811 1171032386 /nfs/dbraw/zinc/03/23/86/1171032386.db2.gz PKJZIEGKFOENNP-GOEBONIOSA-N 2 1 361.450 0.147 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000891880685 1171039645 /nfs/dbraw/zinc/03/96/45/1171039645.db2.gz MCQSIYVSESADFR-MRXNPFEDSA-N 2 1 367.538 0.470 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000891930011 1171090363 /nfs/dbraw/zinc/09/03/63/1171090363.db2.gz UKSBSGUVMIJERU-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000891930011 1171090375 /nfs/dbraw/zinc/09/03/75/1171090375.db2.gz UKSBSGUVMIJERU-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001691324813 1171098766 /nfs/dbraw/zinc/09/87/66/1171098766.db2.gz WJPARDIRSIHIDH-ZYHUDNBSSA-N 2 1 354.480 0.173 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001691374471 1171224067 /nfs/dbraw/zinc/22/40/67/1171224067.db2.gz ALBMHWDQYUHNMM-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001087190618 1171338178 /nfs/dbraw/zinc/33/81/78/1171338178.db2.gz VWFWBNJLNGNLNO-SNPRPXQTSA-N 2 1 361.446 0.213 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000988772887 1192460496 /nfs/dbraw/zinc/46/04/96/1192460496.db2.gz TZPDFICAODXBDK-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022720014 1171812311 /nfs/dbraw/zinc/81/23/11/1171812311.db2.gz DXDFGQSCAAIENZ-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022746225 1171852411 /nfs/dbraw/zinc/85/24/11/1171852411.db2.gz JFRPJUADWIKARP-LFDJNIOPSA-N 2 1 370.497 0.847 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000972242562 1171880588 /nfs/dbraw/zinc/88/05/88/1171880588.db2.gz KQICGQLYJUQNEL-RVKKMQEKSA-N 2 1 371.485 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@H+]1C ZINC000972246221 1171882235 /nfs/dbraw/zinc/88/22/35/1171882235.db2.gz MJXACGMAADRISA-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC000972243821 1171883250 /nfs/dbraw/zinc/88/32/50/1171883250.db2.gz YTVMCJQASADYMH-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000972252237 1171888511 /nfs/dbraw/zinc/88/85/11/1171888511.db2.gz BHEQSNSZKPPKMF-IXDOHACOSA-N 2 1 371.485 0.916 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246027 1171892750 /nfs/dbraw/zinc/89/27/50/1171892750.db2.gz VRRJWXMGNUDUGU-FHLIZLRMSA-N 2 1 371.441 0.827 20 0 FCADMP CO[C@H](C)CN1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246027 1171892751 /nfs/dbraw/zinc/89/27/51/1171892751.db2.gz VRRJWXMGNUDUGU-FHLIZLRMSA-N 2 1 371.441 0.827 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249664 1172027154 /nfs/dbraw/zinc/02/71/54/1172027154.db2.gz QSAGHOSSWMTJTM-IXDOHACOSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CCn2cccn2)CCO3)CC[N@@H+]1C ZINC000972389690 1172072878 /nfs/dbraw/zinc/07/28/78/1172072878.db2.gz UMSZMEXALYGHDE-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CCn2cccn2)CCO3)CC[N@H+]1C ZINC000972389690 1172072895 /nfs/dbraw/zinc/07/28/95/1172072895.db2.gz UMSZMEXALYGHDE-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCn2cccn2)CCO3)CC[NH+]1C ZINC000972389690 1172072906 /nfs/dbraw/zinc/07/29/06/1172072906.db2.gz UMSZMEXALYGHDE-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCn2cccn2)CCO3)CC[NH+]1C ZINC000972389690 1172072917 /nfs/dbraw/zinc/07/29/17/1172072917.db2.gz UMSZMEXALYGHDE-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087226317 1172077955 /nfs/dbraw/zinc/07/79/55/1172077955.db2.gz OJVZTBPGIZXVDO-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842035247 1192860998 /nfs/dbraw/zinc/86/09/98/1192860998.db2.gz JJBJIKCCVZDSCA-BBRMVZONSA-N 2 1 370.457 0.635 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001272198809 1192868634 /nfs/dbraw/zinc/86/86/34/1192868634.db2.gz MXASMWCZIIMXDO-UHFFFAOYSA-N 2 1 361.490 0.848 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001272198809 1192868636 /nfs/dbraw/zinc/86/86/36/1192868636.db2.gz MXASMWCZIIMXDO-UHFFFAOYSA-N 2 1 361.490 0.848 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691547739 1192869923 /nfs/dbraw/zinc/86/99/23/1192869923.db2.gz MWMUMTOMDFMPEX-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001691547739 1192869925 /nfs/dbraw/zinc/86/99/25/1192869925.db2.gz MWMUMTOMDFMPEX-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001691570547 1192887464 /nfs/dbraw/zinc/88/74/64/1192887464.db2.gz JEKIKKCLFLJXOG-FGTMMUONSA-N 2 1 355.523 0.752 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691441104 1179077771 /nfs/dbraw/zinc/07/77/71/1179077771.db2.gz YPTWIDTXKWJVLF-XPABHHOTSA-N 2 1 367.494 0.045 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318486 1179090447 /nfs/dbraw/zinc/09/04/47/1179090447.db2.gz DUXWOSVBDGWXQL-HZPDHXFCSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318486 1179090455 /nfs/dbraw/zinc/09/04/55/1179090455.db2.gz DUXWOSVBDGWXQL-HZPDHXFCSA-N 2 1 363.458 0.773 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000892369728 1179871782 /nfs/dbraw/zinc/87/17/82/1179871782.db2.gz JHJKEYXDPHMAHU-IAGOWNOFSA-N 2 1 358.490 0.679 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001023600455 1179907097 /nfs/dbraw/zinc/90/70/97/1179907097.db2.gz GGEMIZVBRKKAOV-BZUAXINKSA-N 2 1 359.474 0.584 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001023600455 1179907107 /nfs/dbraw/zinc/90/71/07/1179907107.db2.gz GGEMIZVBRKKAOV-BZUAXINKSA-N 2 1 359.474 0.584 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087245628 1179952898 /nfs/dbraw/zinc/95/28/98/1179952898.db2.gz BZHFYSFBYYQSSX-ZBFHGGJFSA-N 2 1 361.494 0.821 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001087246377 1179977974 /nfs/dbraw/zinc/97/79/74/1179977974.db2.gz MBZGEKRDPUCKQB-SNPRPXQTSA-N 2 1 361.446 0.213 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)O1 ZINC001211623583 1180213199 /nfs/dbraw/zinc/21/31/99/1180213199.db2.gz MJWYOYYAVMDNEQ-QXCFHYIPSA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)O1 ZINC001211623583 1180213205 /nfs/dbraw/zinc/21/32/05/1180213205.db2.gz MJWYOYYAVMDNEQ-QXCFHYIPSA-N 2 1 361.486 0.672 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC001023746154 1180214678 /nfs/dbraw/zinc/21/46/78/1180214678.db2.gz BEWVPMWFHTXKOR-QLFBSQMISA-N 2 1 365.478 0.035 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623707 1180217065 /nfs/dbraw/zinc/21/70/65/1180217065.db2.gz PELNSHFITJKFSX-QXCFHYIPSA-N 2 1 361.486 0.936 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623707 1180217069 /nfs/dbraw/zinc/21/70/69/1180217069.db2.gz PELNSHFITJKFSX-QXCFHYIPSA-N 2 1 361.486 0.936 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC000972738710 1180683885 /nfs/dbraw/zinc/68/38/85/1180683885.db2.gz FMBNQJLPDYFQNM-SZVBFZGTSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC000972739692 1180692924 /nfs/dbraw/zinc/69/29/24/1180692924.db2.gz WCECPEOTXMFYLX-RHSMWYFYSA-N 2 1 359.474 0.804 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000081396006 1180748993 /nfs/dbraw/zinc/74/89/93/1180748993.db2.gz RTYNVZZAXPLBQC-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000081396006 1180749005 /nfs/dbraw/zinc/74/90/05/1180749005.db2.gz RTYNVZZAXPLBQC-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024038483 1180805905 /nfs/dbraw/zinc/80/59/05/1180805905.db2.gz HJRGBDDLORFFRB-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024038483 1180805906 /nfs/dbraw/zinc/80/59/06/1180805906.db2.gz HJRGBDDLORFFRB-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)CC1 ZINC000892451100 1181034991 /nfs/dbraw/zinc/03/49/91/1181034991.db2.gz RAZSAHVYBMEHDW-JCNLHEQBSA-N 2 1 365.522 0.700 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001024503379 1181253589 /nfs/dbraw/zinc/25/35/89/1181253589.db2.gz BWURIXKLQSRHPG-BRWVUGGUSA-N 2 1 371.441 0.120 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000892536629 1181782399 /nfs/dbraw/zinc/78/23/99/1181782399.db2.gz RVIWIJZKQBOKOR-QZTJIDSGSA-N 2 1 362.474 0.565 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000892536629 1181782405 /nfs/dbraw/zinc/78/24/05/1181782405.db2.gz RVIWIJZKQBOKOR-QZTJIDSGSA-N 2 1 362.474 0.565 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973362639 1182255875 /nfs/dbraw/zinc/25/58/75/1182255875.db2.gz GUVRTBOOEUTQBB-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973362639 1182255882 /nfs/dbraw/zinc/25/58/82/1182255882.db2.gz GUVRTBOOEUTQBB-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973362639 1182255890 /nfs/dbraw/zinc/25/58/90/1182255890.db2.gz GUVRTBOOEUTQBB-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973362639 1182255894 /nfs/dbraw/zinc/25/58/94/1182255894.db2.gz GUVRTBOOEUTQBB-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354696 /nfs/dbraw/zinc/35/46/96/1182354696.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 1 359.470 0.819 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354698 /nfs/dbraw/zinc/35/46/98/1182354698.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 1 359.470 0.819 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765095 1182485144 /nfs/dbraw/zinc/48/51/44/1182485144.db2.gz AGEBLXXFBVJTDT-HOTGVXAUSA-N 2 1 368.522 0.632 20 0 FCADMP CNc1nc(N2CC[C@H](C[NH+](C)C)C2)nc(N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000549176459 1182526934 /nfs/dbraw/zinc/52/69/34/1182526934.db2.gz NNCBLVZACTWCBY-HUUCEWRRSA-N 3 1 362.526 0.111 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104794949 1182924020 /nfs/dbraw/zinc/92/40/20/1182924020.db2.gz JQHCBEVJFGDXRX-HZPDHXFCSA-N 2 1 364.494 0.112 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001104793630 1182924034 /nfs/dbraw/zinc/92/40/34/1182924034.db2.gz COGCMOFSIPFEKW-DJIMGWMZSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1nccn1C ZINC001104795943 1182924992 /nfs/dbraw/zinc/92/49/92/1182924992.db2.gz AUDSPXRJVAIUDF-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104874046 1182969244 /nfs/dbraw/zinc/96/92/44/1182969244.db2.gz MGVWQZOTMHLDFD-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974185836 1183039103 /nfs/dbraw/zinc/03/91/03/1183039103.db2.gz BUDJABWOLIZCTC-NQNKBUKLSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974185836 1183039115 /nfs/dbraw/zinc/03/91/15/1183039115.db2.gz BUDJABWOLIZCTC-NQNKBUKLSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000974185836 1183039123 /nfs/dbraw/zinc/03/91/23/1183039123.db2.gz BUDJABWOLIZCTC-NQNKBUKLSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000974185836 1183039131 /nfs/dbraw/zinc/03/91/31/1183039131.db2.gz BUDJABWOLIZCTC-NQNKBUKLSA-N 2 1 366.506 0.199 20 0 FCADMP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1C ZINC001105008022 1183065408 /nfs/dbraw/zinc/06/54/08/1183065408.db2.gz MHOBSIZXDHYMQF-OAGGEKHMSA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000974271535 1183081340 /nfs/dbraw/zinc/08/13/40/1183081340.db2.gz BYPDODHGICITPH-RHJCGQNESA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000974271535 1183081346 /nfs/dbraw/zinc/08/13/46/1183081346.db2.gz BYPDODHGICITPH-RHJCGQNESA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000974271535 1183081353 /nfs/dbraw/zinc/08/13/53/1183081353.db2.gz BYPDODHGICITPH-RHJCGQNESA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000974271535 1183081358 /nfs/dbraw/zinc/08/13/58/1183081358.db2.gz BYPDODHGICITPH-RHJCGQNESA-N 2 1 366.506 0.199 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)C1 ZINC001105042267 1183090098 /nfs/dbraw/zinc/09/00/98/1183090098.db2.gz UKZMINLUYGWLOA-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)C1 ZINC001105042267 1183090101 /nfs/dbraw/zinc/09/01/01/1183090101.db2.gz UKZMINLUYGWLOA-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)C1 ZINC001105042170 1183090199 /nfs/dbraw/zinc/09/01/99/1183090199.db2.gz QSNIGRCBSKHVPU-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)C1 ZINC001105042170 1183090204 /nfs/dbraw/zinc/09/02/04/1183090204.db2.gz QSNIGRCBSKHVPU-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105067119 1183099457 /nfs/dbraw/zinc/09/94/57/1183099457.db2.gz NLXZGXPKIZGWFB-SJLPKXTDSA-N 2 1 370.538 0.554 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001267837912 1183100676 /nfs/dbraw/zinc/10/06/76/1183100676.db2.gz XXLDOEZSVQBIEG-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP CC[C@@H](C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1)OC ZINC001105244415 1183153966 /nfs/dbraw/zinc/15/39/66/1183153966.db2.gz WBFWYKIDHYNFLE-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974547013 1183322076 /nfs/dbraw/zinc/32/20/76/1183322076.db2.gz AORSGNACAGHKSX-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974547013 1183322085 /nfs/dbraw/zinc/32/20/85/1183322085.db2.gz AORSGNACAGHKSX-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587421 1183354890 /nfs/dbraw/zinc/35/48/90/1183354890.db2.gz ZNKUNOJEXAYBDU-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974582765 1183362581 /nfs/dbraw/zinc/36/25/81/1183362581.db2.gz DRNNROIXFMIWQU-GVDBMIGSSA-N 2 1 360.502 0.483 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974595541 1183373111 /nfs/dbraw/zinc/37/31/11/1183373111.db2.gz WSJDJJCHOGMLNC-HZPDHXFCSA-N 2 1 357.458 0.347 20 0 FCADMP COCCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026852166 1183413207 /nfs/dbraw/zinc/41/32/07/1183413207.db2.gz LPBWXSYVLXNPKU-QLFBSQMISA-N 2 1 365.478 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001026852170 1183413381 /nfs/dbraw/zinc/41/33/81/1183413381.db2.gz LRHADRDPHNXBPZ-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC1 ZINC000978982092 1186042967 /nfs/dbraw/zinc/04/29/67/1186042967.db2.gz QFJKVCGXHNARAU-SLBVQIDZSA-N 2 1 359.474 0.866 20 0 FCADMP COc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242382 /nfs/dbraw/zinc/24/23/82/1186242382.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242384 /nfs/dbraw/zinc/24/23/84/1186242384.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC000981199867 1186348747 /nfs/dbraw/zinc/34/87/47/1186348747.db2.gz DUFXYNPCRBKEEM-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC000981199867 1186348752 /nfs/dbraw/zinc/34/87/52/1186348752.db2.gz DUFXYNPCRBKEEM-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](C[C@@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC000981199867 1186348757 /nfs/dbraw/zinc/34/87/57/1186348757.db2.gz DUFXYNPCRBKEEM-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3ccn(C)c(=O)c3)CC2)O1 ZINC000981436043 1186418796 /nfs/dbraw/zinc/41/87/96/1186418796.db2.gz YNAYVDQIKIOSIW-NVXWUHKLSA-N 2 1 362.474 0.139 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3ccn(C)c(=O)c3)CC2)O1 ZINC000981436043 1186418798 /nfs/dbraw/zinc/41/87/98/1186418798.db2.gz YNAYVDQIKIOSIW-NVXWUHKLSA-N 2 1 362.474 0.139 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](Cc3ccn(C)c(=O)c3)CC2)O1 ZINC000981436043 1186418803 /nfs/dbraw/zinc/41/88/03/1186418803.db2.gz YNAYVDQIKIOSIW-NVXWUHKLSA-N 2 1 362.474 0.139 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](Cc3ccn(C)c(=O)c3)CC2)O1 ZINC000981436043 1186418805 /nfs/dbraw/zinc/41/88/05/1186418805.db2.gz YNAYVDQIKIOSIW-NVXWUHKLSA-N 2 1 362.474 0.139 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001211720783 1187466250 /nfs/dbraw/zinc/46/62/50/1187466250.db2.gz OYJAIDUGWOVVNO-YTQUADARSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893867860 1187519165 /nfs/dbraw/zinc/51/91/65/1187519165.db2.gz RWAGCPBORUPAMN-MSOLQXFVSA-N 2 1 367.538 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001028552135 1187605011 /nfs/dbraw/zinc/60/50/11/1187605011.db2.gz HPTKKSBQKDKYPM-OWCLPIDISA-N 2 1 366.485 0.916 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482101999 1187616834 /nfs/dbraw/zinc/61/68/34/1187616834.db2.gz IDKYMYIMIGVMSM-RBSFLKMASA-N 2 1 369.510 0.150 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1noc2c1COCC2 ZINC001482101841 1187616944 /nfs/dbraw/zinc/61/69/44/1187616944.db2.gz HJVRAARNGVZLIM-BFHYXJOUSA-N 2 1 350.463 0.929 20 0 FCADMP COc1ncccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629219 1187758877 /nfs/dbraw/zinc/75/88/77/1187758877.db2.gz HODNHKMIDKREKY-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629219 1187758880 /nfs/dbraw/zinc/75/88/80/1187758880.db2.gz HODNHKMIDKREKY-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629219 1187758885 /nfs/dbraw/zinc/75/88/85/1187758885.db2.gz HODNHKMIDKREKY-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629219 1187758889 /nfs/dbraw/zinc/75/88/89/1187758889.db2.gz HODNHKMIDKREKY-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000983004543 1187812816 /nfs/dbraw/zinc/81/28/16/1187812816.db2.gz HZOMHSPMYPHURU-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc1 ZINC001279118968 1187817391 /nfs/dbraw/zinc/81/73/91/1187817391.db2.gz ZTLVDFKDHRZXRD-KDURUIRLSA-N 2 1 361.486 0.849 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)C ZINC000549965262 1187855323 /nfs/dbraw/zinc/85/53/23/1187855323.db2.gz FXDMZERHKSZYCD-MRXNPFEDSA-N 2 1 370.538 0.525 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)C ZINC000549965262 1187855326 /nfs/dbraw/zinc/85/53/26/1187855326.db2.gz FXDMZERHKSZYCD-MRXNPFEDSA-N 2 1 370.538 0.525 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCCn2ccnc2)CC1 ZINC001270155612 1188033525 /nfs/dbraw/zinc/03/35/25/1188033525.db2.gz PSJJVQHRPRQTSC-HOTGVXAUSA-N 2 1 359.474 0.722 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)C[NH+](CCO)CCO)Cc1ccccc12 ZINC001270176275 1188041867 /nfs/dbraw/zinc/04/18/67/1188041867.db2.gz WZOZKACIUPUCPA-UHFFFAOYSA-N 2 1 361.486 0.279 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000261977031 1188154832 /nfs/dbraw/zinc/15/48/32/1188154832.db2.gz BSYXOPBNNHOJNV-UHFFFAOYSA-N 2 1 360.458 0.275 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000785400004 1188220361 /nfs/dbraw/zinc/22/03/61/1188220361.db2.gz SNTVPNMBEAORMZ-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000550096971 1188224187 /nfs/dbraw/zinc/22/41/87/1188224187.db2.gz RDCHUAUHXDUEIO-MRXNPFEDSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000894788464 1188250716 /nfs/dbraw/zinc/25/07/16/1188250716.db2.gz QDYOIXUEXQGLRF-MGNMYUMUSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000894788464 1188250718 /nfs/dbraw/zinc/25/07/18/1188250718.db2.gz QDYOIXUEXQGLRF-MGNMYUMUSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000894788464 1188250721 /nfs/dbraw/zinc/25/07/21/1188250721.db2.gz QDYOIXUEXQGLRF-MGNMYUMUSA-N 2 1 365.522 0.854 20 0 FCADMP Cc1nonc1C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111158 1188290905 /nfs/dbraw/zinc/29/09/05/1188290905.db2.gz BZQKZDZEWORYHR-IIYDPXPESA-N 2 1 365.478 0.814 20 0 FCADMP Cc1nonc1C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111158 1188290911 /nfs/dbraw/zinc/29/09/11/1188290911.db2.gz BZQKZDZEWORYHR-IIYDPXPESA-N 2 1 365.478 0.814 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075798748 1188423035 /nfs/dbraw/zinc/42/30/35/1188423035.db2.gz MUVVNLFUOOKOLL-RCCFBDPRSA-N 2 1 360.502 0.483 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000984014570 1189371865 /nfs/dbraw/zinc/37/18/65/1189371865.db2.gz MXUOYFUFVGROHR-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000984014570 1189371869 /nfs/dbraw/zinc/37/18/69/1189371869.db2.gz MXUOYFUFVGROHR-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984012385 1189372561 /nfs/dbraw/zinc/37/25/61/1189372561.db2.gz FRXOQUOZWFRAMV-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984012385 1189372568 /nfs/dbraw/zinc/37/25/68/1189372568.db2.gz FRXOQUOZWFRAMV-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087727262 1189804181 /nfs/dbraw/zinc/80/41/81/1189804181.db2.gz NRNXVSVJEHNRCC-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087727262 1189804186 /nfs/dbraw/zinc/80/41/86/1189804186.db2.gz NRNXVSVJEHNRCC-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087727262 1189804187 /nfs/dbraw/zinc/80/41/87/1189804187.db2.gz NRNXVSVJEHNRCC-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984407283 1189837385 /nfs/dbraw/zinc/83/73/85/1189837385.db2.gz YIIKCMATRXNMBN-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984407283 1189837386 /nfs/dbraw/zinc/83/73/86/1189837386.db2.gz YIIKCMATRXNMBN-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920357 1189905515 /nfs/dbraw/zinc/90/55/15/1189905515.db2.gz MEHOYYYNFMBKSF-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920357 1189905523 /nfs/dbraw/zinc/90/55/23/1189905523.db2.gz MEHOYYYNFMBKSF-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920357 1189905530 /nfs/dbraw/zinc/90/55/30/1189905530.db2.gz MEHOYYYNFMBKSF-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920357 1189905536 /nfs/dbraw/zinc/90/55/36/1189905536.db2.gz MEHOYYYNFMBKSF-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993391 1190143423 /nfs/dbraw/zinc/14/34/23/1190143423.db2.gz MTLPGMBXSRRLFK-IKGGRYGDSA-N 2 1 363.506 0.132 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993218 1190143814 /nfs/dbraw/zinc/14/38/14/1190143814.db2.gz FODUDJIBCDXJNQ-AOIWGVFYSA-N 2 1 362.518 0.729 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995007 1190148347 /nfs/dbraw/zinc/14/83/47/1190148347.db2.gz NUBWFLLYBHMHDG-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995007 1190148350 /nfs/dbraw/zinc/14/83/50/1190148350.db2.gz NUBWFLLYBHMHDG-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995007 1190148355 /nfs/dbraw/zinc/14/83/55/1190148355.db2.gz NUBWFLLYBHMHDG-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)nn1 ZINC001088063941 1190339768 /nfs/dbraw/zinc/33/97/68/1190339768.db2.gz DAKQGGGJIRXAGC-CVEARBPZSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)nn1 ZINC001088063941 1190339774 /nfs/dbraw/zinc/33/97/74/1190339774.db2.gz DAKQGGGJIRXAGC-CVEARBPZSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4ncnn4C)C[C@H]3C2)CC[N@H+]1C ZINC001088081787 1190467446 /nfs/dbraw/zinc/46/74/46/1190467446.db2.gz FGCOJRUJUSLLDA-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088083860 1190478373 /nfs/dbraw/zinc/47/83/73/1190478373.db2.gz MUCKZRMGKBKGHQ-KBMXLJTQSA-N 2 1 360.458 0.624 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083902 1190478802 /nfs/dbraw/zinc/47/88/02/1190478802.db2.gz OGCRPTHBVNVSGP-FMKPAKJESA-N 2 1 362.474 0.870 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105759 1190591399 /nfs/dbraw/zinc/59/13/99/1190591399.db2.gz BJFXIDSNOBIDKG-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105759 1190591410 /nfs/dbraw/zinc/59/14/10/1190591410.db2.gz BJFXIDSNOBIDKG-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105759 1190591417 /nfs/dbraw/zinc/59/14/17/1190591417.db2.gz BJFXIDSNOBIDKG-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106598 1190593213 /nfs/dbraw/zinc/59/32/13/1190593213.db2.gz IYTKYUZAZSJVCQ-BBWFWOEESA-N 2 1 363.506 0.134 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106598 1190593225 /nfs/dbraw/zinc/59/32/25/1190593225.db2.gz IYTKYUZAZSJVCQ-BBWFWOEESA-N 2 1 363.506 0.134 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106598 1190593234 /nfs/dbraw/zinc/59/32/34/1190593234.db2.gz IYTKYUZAZSJVCQ-BBWFWOEESA-N 2 1 363.506 0.134 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985165467 1190663320 /nfs/dbraw/zinc/66/33/20/1190663320.db2.gz CPIXBAUPYFIWIM-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1=O ZINC001276755906 1224107126 /nfs/dbraw/zinc/10/71/26/1224107126.db2.gz BSUTWBZVKMEXEV-HXUWFJFHSA-N 2 1 356.470 0.817 20 0 FCADMP O=C1C=CC(=O)N1CCCCCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168097933 1190784243 /nfs/dbraw/zinc/78/42/43/1190784243.db2.gz DXFFKSSZVBJZLG-UHFFFAOYSA-N 2 1 358.446 0.784 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986125514 1190898598 /nfs/dbraw/zinc/89/85/98/1190898598.db2.gz BGECWOCAKJHJEH-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986125514 1190898600 /nfs/dbraw/zinc/89/86/00/1190898600.db2.gz BGECWOCAKJHJEH-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1)[NH+](C)C ZINC000986404109 1190974521 /nfs/dbraw/zinc/97/45/21/1190974521.db2.gz UNRRJQDNXJHIFK-IKGGRYGDSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986403327 1190974554 /nfs/dbraw/zinc/97/45/54/1190974554.db2.gz NFNKUQGIQFNFEG-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986403327 1190974557 /nfs/dbraw/zinc/97/45/57/1190974557.db2.gz NFNKUQGIQFNFEG-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC001029973753 1191057396 /nfs/dbraw/zinc/05/73/96/1191057396.db2.gz MQIKRDPXGQOVOZ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC001029973753 1191057399 /nfs/dbraw/zinc/05/73/99/1191057399.db2.gz MQIKRDPXGQOVOZ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC001029973753 1191057402 /nfs/dbraw/zinc/05/74/02/1191057402.db2.gz MQIKRDPXGQOVOZ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)[C@@H]3CCN(C)C3=O)CC2)O1 ZINC001029973753 1191057405 /nfs/dbraw/zinc/05/74/05/1191057405.db2.gz MQIKRDPXGQOVOZ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCN(C)CC1 ZINC001276762428 1224128355 /nfs/dbraw/zinc/12/83/55/1224128355.db2.gz KZXZECXQERTGRL-HZPDHXFCSA-N 2 1 366.506 0.251 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059857652 1191151810 /nfs/dbraw/zinc/15/18/10/1191151810.db2.gz FTJQZWCKXZKHHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059857652 1191151812 /nfs/dbraw/zinc/15/18/12/1191151812.db2.gz FTJQZWCKXZKHHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059857652 1191151814 /nfs/dbraw/zinc/15/18/14/1191151814.db2.gz FTJQZWCKXZKHHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059857652 1191151816 /nfs/dbraw/zinc/15/18/16/1191151816.db2.gz FTJQZWCKXZKHHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144269 /nfs/dbraw/zinc/14/42/69/1224144269.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 1 367.490 0.044 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144271 /nfs/dbraw/zinc/14/42/71/1224144271.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 1 367.490 0.044 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000990001436 1193778100 /nfs/dbraw/zinc/77/81/00/1193778100.db2.gz KKWXBLIGNYLJRF-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000990001436 1193778104 /nfs/dbraw/zinc/77/81/04/1193778104.db2.gz KKWXBLIGNYLJRF-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557723 1224172511 /nfs/dbraw/zinc/17/25/11/1224172511.db2.gz IFNXIKCFFPRSRP-OKZBNKHCSA-N 2 1 371.522 0.273 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550899670 1193819129 /nfs/dbraw/zinc/81/91/29/1193819129.db2.gz XOYQRVLJFVHTNA-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000551075170 1193831606 /nfs/dbraw/zinc/83/16/06/1193831606.db2.gz SUBSCOMCCXZZKV-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000551151916 1193835714 /nfs/dbraw/zinc/83/57/14/1193835714.db2.gz LDXHGLMECWJUGL-CVEARBPZSA-N 2 1 369.554 0.079 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC1CCOCC1 ZINC001088757072 1193891212 /nfs/dbraw/zinc/89/12/12/1193891212.db2.gz HKLKWJZTFQEIQW-AJYGOWOKSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CC1CCOCC1 ZINC001088757072 1193891214 /nfs/dbraw/zinc/89/12/14/1193891214.db2.gz HKLKWJZTFQEIQW-AJYGOWOKSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC1CCOCC1 ZINC001088757072 1193891218 /nfs/dbraw/zinc/89/12/18/1193891218.db2.gz HKLKWJZTFQEIQW-AJYGOWOKSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472305 1193902028 /nfs/dbraw/zinc/90/20/28/1193902028.db2.gz QGEYYPCXPROSKO-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472305 1193902031 /nfs/dbraw/zinc/90/20/31/1193902031.db2.gz QGEYYPCXPROSKO-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472305 1193902035 /nfs/dbraw/zinc/90/20/35/1193902035.db2.gz QGEYYPCXPROSKO-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472305 1193902041 /nfs/dbraw/zinc/90/20/41/1193902041.db2.gz QGEYYPCXPROSKO-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001083472868 1193904559 /nfs/dbraw/zinc/90/45/59/1193904559.db2.gz USFPEIKNYBIZPP-MYZZLAAOSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001083472868 1193904562 /nfs/dbraw/zinc/90/45/62/1193904562.db2.gz USFPEIKNYBIZPP-MYZZLAAOSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001083472868 1193904566 /nfs/dbraw/zinc/90/45/66/1193904566.db2.gz USFPEIKNYBIZPP-MYZZLAAOSA-N 2 1 360.502 0.754 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472691 1193905200 /nfs/dbraw/zinc/90/52/00/1193905200.db2.gz LQYNYDWPAQIBIH-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472691 1193905206 /nfs/dbraw/zinc/90/52/06/1193905206.db2.gz LQYNYDWPAQIBIH-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472691 1193905210 /nfs/dbraw/zinc/90/52/10/1193905210.db2.gz LQYNYDWPAQIBIH-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218572939 1224176089 /nfs/dbraw/zinc/17/60/89/1224176089.db2.gz OZOLMKZTZKHXDR-HNNXBMFYSA-N 3 1 363.510 0.663 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)ccn1 ZINC001218582849 1224177965 /nfs/dbraw/zinc/17/79/65/1224177965.db2.gz VKUZXJCCKJFWRI-DLBZAZTESA-N 2 1 361.490 0.511 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)ccn1 ZINC001218582849 1224177967 /nfs/dbraw/zinc/17/79/67/1224177967.db2.gz VKUZXJCCKJFWRI-DLBZAZTESA-N 2 1 361.490 0.511 20 0 FCADMP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668139 1193947059 /nfs/dbraw/zinc/94/70/59/1193947059.db2.gz HYGGNOVSSGVWOQ-ZAWLATJESA-N 2 1 364.490 0.804 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000552690343 1193947980 /nfs/dbraw/zinc/94/79/80/1193947980.db2.gz OWTGMJUXRGUDIF-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105668646 1193953308 /nfs/dbraw/zinc/95/33/08/1193953308.db2.gz XZSMQCHDSNDAIR-RGCFKVTRSA-N 2 1 368.522 0.170 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000552884491 1193958025 /nfs/dbraw/zinc/95/80/25/1193958025.db2.gz ANKKGCFMZXDSKL-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553263080 1193986372 /nfs/dbraw/zinc/98/63/72/1193986372.db2.gz CQLIOQDJRFMYRV-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP CC(C)(C)OC[C@H]([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218619244 1224183716 /nfs/dbraw/zinc/18/37/16/1224183716.db2.gz CNJPEDOXAUOGFD-HNNXBMFYSA-N 2 1 365.478 0.086 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C2C[NH+](C)C2)cc1 ZINC001142598799 1194082242 /nfs/dbraw/zinc/08/22/42/1194082242.db2.gz FZCGQBPRFVDMPR-UHFFFAOYSA-N 2 1 359.474 0.397 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675813 1194104923 /nfs/dbraw/zinc/10/49/23/1194104923.db2.gz RSQSPPLZNZGAJU-VVWQDTPRSA-N 2 1 368.522 0.039 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815427 1194110923 /nfs/dbraw/zinc/11/09/23/1194110923.db2.gz PFUNPHWMONTLOQ-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815427 1194110927 /nfs/dbraw/zinc/11/09/27/1194110927.db2.gz PFUNPHWMONTLOQ-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815427 1194110930 /nfs/dbraw/zinc/11/09/30/1194110930.db2.gz PFUNPHWMONTLOQ-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815427 1194110934 /nfs/dbraw/zinc/11/09/34/1194110934.db2.gz PFUNPHWMONTLOQ-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083518552 1194122898 /nfs/dbraw/zinc/12/28/98/1194122898.db2.gz DUKOTVTWUUCHKB-KURKYZTESA-N 2 1 363.506 0.102 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076049490 1194274553 /nfs/dbraw/zinc/27/45/53/1194274553.db2.gz BPBRUBWVYJKQNA-GVDBMIGSSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076049490 1194274565 /nfs/dbraw/zinc/27/45/65/1194274565.db2.gz BPBRUBWVYJKQNA-GVDBMIGSSA-N 2 1 359.474 0.734 20 0 FCADMP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)cn2)CC1 ZINC001218723992 1224205424 /nfs/dbraw/zinc/20/54/24/1224205424.db2.gz BVUSNWLANAJYFZ-MRXNPFEDSA-N 2 1 358.490 0.822 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001076070487 1194292110 /nfs/dbraw/zinc/29/21/10/1194292110.db2.gz LUCMDBUXJVEKNW-LDEZJPALSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC001076070487 1194292115 /nfs/dbraw/zinc/29/21/15/1194292115.db2.gz LUCMDBUXJVEKNW-LDEZJPALSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001076070487 1194292123 /nfs/dbraw/zinc/29/21/23/1194292123.db2.gz LUCMDBUXJVEKNW-LDEZJPALSA-N 2 1 368.481 0.978 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239955 1194362553 /nfs/dbraw/zinc/36/25/53/1194362553.db2.gz DWLXBPVGVPIXSL-BPQIPLTHSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239955 1194362555 /nfs/dbraw/zinc/36/25/55/1194362555.db2.gz DWLXBPVGVPIXSL-BPQIPLTHSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239955 1194362557 /nfs/dbraw/zinc/36/25/57/1194362557.db2.gz DWLXBPVGVPIXSL-BPQIPLTHSA-N 2 1 358.486 0.902 20 0 FCADMP CCOC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794924 1224214633 /nfs/dbraw/zinc/21/46/33/1224214633.db2.gz UWNFYTYHGIHHCZ-CLCXKQKWSA-N 2 1 369.506 0.611 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001076457714 1194498160 /nfs/dbraw/zinc/49/81/60/1194498160.db2.gz OLFVQZCUMWSWLQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001076457714 1194498169 /nfs/dbraw/zinc/49/81/69/1194498169.db2.gz OLFVQZCUMWSWLQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)nn1 ZINC001076457714 1194498175 /nfs/dbraw/zinc/49/81/75/1194498175.db2.gz OLFVQZCUMWSWLQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)nn1 ZINC001076457714 1194498180 /nfs/dbraw/zinc/49/81/80/1194498180.db2.gz OLFVQZCUMWSWLQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461989 1194505768 /nfs/dbraw/zinc/50/57/68/1194505768.db2.gz DRBKNTLIHWCELF-SOLBZPMBSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461989 1194505770 /nfs/dbraw/zinc/50/57/70/1194505770.db2.gz DRBKNTLIHWCELF-SOLBZPMBSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076461989 1194505775 /nfs/dbraw/zinc/50/57/75/1194505775.db2.gz DRBKNTLIHWCELF-SOLBZPMBSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076461989 1194505779 /nfs/dbraw/zinc/50/57/79/1194505779.db2.gz DRBKNTLIHWCELF-SOLBZPMBSA-N 2 1 360.506 0.981 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789102 1224221857 /nfs/dbraw/zinc/22/18/57/1224221857.db2.gz ACRCTHBDKOJOJM-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789102 1224221868 /nfs/dbraw/zinc/22/18/68/1224221868.db2.gz ACRCTHBDKOJOJM-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]21 ZINC001218820107 1224231453 /nfs/dbraw/zinc/23/14/53/1224231453.db2.gz YCEZNRGUYVHSOP-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]21 ZINC001218820107 1224231467 /nfs/dbraw/zinc/23/14/67/1224231467.db2.gz YCEZNRGUYVHSOP-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218918130 1224257155 /nfs/dbraw/zinc/25/71/55/1224257155.db2.gz BWQNCWUYHLZLQZ-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218918130 1224257162 /nfs/dbraw/zinc/25/71/62/1224257162.db2.gz BWQNCWUYHLZLQZ-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218918130 1224257170 /nfs/dbraw/zinc/25/71/70/1224257170.db2.gz BWQNCWUYHLZLQZ-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218918130 1224257181 /nfs/dbraw/zinc/25/71/81/1224257181.db2.gz BWQNCWUYHLZLQZ-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979315 1195099606 /nfs/dbraw/zinc/09/96/06/1195099606.db2.gz BTDZERKIHQKSJE-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979315 1195099612 /nfs/dbraw/zinc/09/96/12/1195099612.db2.gz BTDZERKIHQKSJE-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979315 1195099616 /nfs/dbraw/zinc/09/96/16/1195099616.db2.gz BTDZERKIHQKSJE-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979315 1195099621 /nfs/dbraw/zinc/09/96/21/1195099621.db2.gz BTDZERKIHQKSJE-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919604 1224259967 /nfs/dbraw/zinc/25/99/67/1224259967.db2.gz VFZSAGJHUJWDPI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919604 1224259977 /nfs/dbraw/zinc/25/99/77/1224259977.db2.gz VFZSAGJHUJWDPI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919604 1224259985 /nfs/dbraw/zinc/25/99/85/1224259985.db2.gz VFZSAGJHUJWDPI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001077023614 1195159429 /nfs/dbraw/zinc/15/94/29/1195159429.db2.gz KJYDMWVPGYOTMP-BYNBJNPRSA-N 2 1 374.485 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001077023614 1195159435 /nfs/dbraw/zinc/15/94/35/1195159435.db2.gz KJYDMWVPGYOTMP-BYNBJNPRSA-N 2 1 374.485 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077023614 1195159441 /nfs/dbraw/zinc/15/94/41/1195159441.db2.gz KJYDMWVPGYOTMP-BYNBJNPRSA-N 2 1 374.485 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077023614 1195159448 /nfs/dbraw/zinc/15/94/48/1195159448.db2.gz KJYDMWVPGYOTMP-BYNBJNPRSA-N 2 1 374.485 0.647 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077023671 1195160257 /nfs/dbraw/zinc/16/02/57/1195160257.db2.gz MSADYNKHBIMVLZ-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077023671 1195160262 /nfs/dbraw/zinc/16/02/62/1195160262.db2.gz MSADYNKHBIMVLZ-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001077023671 1195160269 /nfs/dbraw/zinc/16/02/69/1195160269.db2.gz MSADYNKHBIMVLZ-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001077023671 1195160276 /nfs/dbraw/zinc/16/02/76/1195160276.db2.gz MSADYNKHBIMVLZ-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2O)O1 ZINC001083565115 1195257903 /nfs/dbraw/zinc/25/79/03/1195257903.db2.gz BUOVNWDISNIBOX-NRSFXHEJSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2O)O1 ZINC001083565115 1195257907 /nfs/dbraw/zinc/25/79/07/1195257907.db2.gz BUOVNWDISNIBOX-NRSFXHEJSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)O1 ZINC001083565115 1195257913 /nfs/dbraw/zinc/25/79/13/1195257913.db2.gz BUOVNWDISNIBOX-NRSFXHEJSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)O1 ZINC001083565115 1195257921 /nfs/dbraw/zinc/25/79/21/1195257921.db2.gz BUOVNWDISNIBOX-NRSFXHEJSA-N 2 1 365.518 0.837 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)c1 ZINC001077220436 1195329927 /nfs/dbraw/zinc/32/99/27/1195329927.db2.gz LTXRKPIQRXVOQY-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)c1 ZINC001077220436 1195329929 /nfs/dbraw/zinc/32/99/29/1195329929.db2.gz LTXRKPIQRXVOQY-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)c1 ZINC001077220436 1195329931 /nfs/dbraw/zinc/32/99/31/1195329931.db2.gz LTXRKPIQRXVOQY-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)c1 ZINC001077220436 1195329934 /nfs/dbraw/zinc/32/99/34/1195329934.db2.gz LTXRKPIQRXVOQY-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275886 1195376307 /nfs/dbraw/zinc/37/63/07/1195376307.db2.gz ATWZFZXXPMWELI-ZTFGCOKTSA-N 2 1 358.442 0.844 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077311928 1195413697 /nfs/dbraw/zinc/41/36/97/1195413697.db2.gz FRXCLTIKHCQIQB-IAOVAPTHSA-N 2 1 371.441 0.026 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077399410 1195499443 /nfs/dbraw/zinc/49/94/43/1195499443.db2.gz IMOBLZCFYBEYOS-YXJHDRRASA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077399410 1195499454 /nfs/dbraw/zinc/49/94/54/1195499454.db2.gz IMOBLZCFYBEYOS-YXJHDRRASA-N 2 1 362.474 0.350 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002968 1224285054 /nfs/dbraw/zinc/28/50/54/1224285054.db2.gz MCGDZZNNJXXPAR-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002968 1224285060 /nfs/dbraw/zinc/28/50/60/1224285060.db2.gz MCGDZZNNJXXPAR-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCCNC(=O)[C@H](C)N1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004288 1224285098 /nfs/dbraw/zinc/28/50/98/1224285098.db2.gz FEYSCTBEVXJFOF-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580021 1195528056 /nfs/dbraw/zinc/52/80/56/1195528056.db2.gz MRNFZWICXJMNRS-UHOSZYNNSA-N 2 1 370.453 0.299 20 0 FCADMP O=C(N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580021 1195528060 /nfs/dbraw/zinc/52/80/60/1195528060.db2.gz MRNFZWICXJMNRS-UHOSZYNNSA-N 2 1 370.453 0.299 20 0 FCADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000906785108 1195664551 /nfs/dbraw/zinc/66/45/51/1195664551.db2.gz DVBSIIVRXWGARN-YLJYHZDGSA-N 2 1 374.529 0.886 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155831 1195681868 /nfs/dbraw/zinc/68/18/68/1195681868.db2.gz LTNQNSZZSVMSAQ-WOJBJXKFSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155831 1195681871 /nfs/dbraw/zinc/68/18/71/1195681871.db2.gz LTNQNSZZSVMSAQ-WOJBJXKFSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155831 1195681873 /nfs/dbraw/zinc/68/18/73/1195681873.db2.gz LTNQNSZZSVMSAQ-WOJBJXKFSA-N 2 1 374.529 0.479 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607168 1195683440 /nfs/dbraw/zinc/68/34/40/1195683440.db2.gz JOICOPUFZYXKSI-OLMNPRSZSA-N 2 1 358.442 0.926 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607169 1195684125 /nfs/dbraw/zinc/68/41/25/1195684125.db2.gz JOICOPUFZYXKSI-QGTPRVQTSA-N 2 1 358.442 0.926 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000907290149 1195688184 /nfs/dbraw/zinc/68/81/84/1195688184.db2.gz AWTIRYPZICMDQK-GOSISDBHSA-N 2 1 371.485 0.941 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000910827273 1195847036 /nfs/dbraw/zinc/84/70/36/1195847036.db2.gz BDGVCQANNUJMDC-HNNXBMFYSA-N 2 1 359.474 0.671 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000910831222 1195850857 /nfs/dbraw/zinc/85/08/57/1195850857.db2.gz WUYAUBOXDKZXRE-UZLBHIALSA-N 2 1 371.485 0.673 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000910874973 1195855259 /nfs/dbraw/zinc/85/52/59/1195855259.db2.gz FVMDLSLODFQKQU-UHFFFAOYSA-N 2 1 365.522 1.000 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)CNC(=O)N3CCCC3)CC2)CC1 ZINC000911190839 1195906779 /nfs/dbraw/zinc/90/67/79/1195906779.db2.gz RIWPRFPXFWONSB-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)CNC(=O)N3CCCC3)CC2)CC1 ZINC000911190839 1195906782 /nfs/dbraw/zinc/90/67/82/1195906782.db2.gz RIWPRFPXFWONSB-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052109 1224320973 /nfs/dbraw/zinc/32/09/73/1224320973.db2.gz FZXTXIUAWYXTRA-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052109 1224320982 /nfs/dbraw/zinc/32/09/82/1224320982.db2.gz FZXTXIUAWYXTRA-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083647608 1196316739 /nfs/dbraw/zinc/31/67/39/1196316739.db2.gz KDGBKSJYSYUJOB-KYJSFNMBSA-N 2 1 362.474 0.492 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083647608 1196316743 /nfs/dbraw/zinc/31/67/43/1196316743.db2.gz KDGBKSJYSYUJOB-KYJSFNMBSA-N 2 1 362.474 0.492 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360978 1196321904 /nfs/dbraw/zinc/32/19/04/1196321904.db2.gz OLTLRJXSVGSKGW-YFHUEUNASA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360978 1196321907 /nfs/dbraw/zinc/32/19/07/1196321907.db2.gz OLTLRJXSVGSKGW-YFHUEUNASA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)O1 ZINC000991360978 1196321909 /nfs/dbraw/zinc/32/19/09/1196321909.db2.gz OLTLRJXSVGSKGW-YFHUEUNASA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)O1 ZINC000991360978 1196321910 /nfs/dbraw/zinc/32/19/10/1196321910.db2.gz OLTLRJXSVGSKGW-YFHUEUNASA-N 2 1 362.478 0.110 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000991426410 1196394082 /nfs/dbraw/zinc/39/40/82/1196394082.db2.gz ASVZWAVMWBNRAQ-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000991426410 1196394087 /nfs/dbraw/zinc/39/40/87/1196394087.db2.gz ASVZWAVMWBNRAQ-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000991426410 1196394096 /nfs/dbraw/zinc/39/40/96/1196394096.db2.gz ASVZWAVMWBNRAQ-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000991426410 1196394100 /nfs/dbraw/zinc/39/41/00/1196394100.db2.gz ASVZWAVMWBNRAQ-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000913182513 1196401987 /nfs/dbraw/zinc/40/19/87/1196401987.db2.gz IUNCJGHVNCOGHP-HXUWFJFHSA-N 2 1 361.486 0.756 20 0 FCADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000913365312 1196425882 /nfs/dbraw/zinc/42/58/82/1196425882.db2.gz XFNVKYPWVTYLKK-UHFFFAOYSA-N 2 1 358.486 0.879 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001060256585 1196468153 /nfs/dbraw/zinc/46/81/53/1196468153.db2.gz JWMQCDCRMQFIBH-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001060256585 1196468161 /nfs/dbraw/zinc/46/81/61/1196468161.db2.gz JWMQCDCRMQFIBH-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000592984601 1196602514 /nfs/dbraw/zinc/60/25/14/1196602514.db2.gz QZWISJCYTZTUHW-SFHVURJKSA-N 2 1 374.485 0.168 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)O1 ZINC000991854503 1196811850 /nfs/dbraw/zinc/81/18/50/1196811850.db2.gz WEQSKWTZCXZYSO-GDBMZVCRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)O1 ZINC000991854503 1196811853 /nfs/dbraw/zinc/81/18/53/1196811853.db2.gz WEQSKWTZCXZYSO-GDBMZVCRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1cncn1C ZINC001088912585 1196834225 /nfs/dbraw/zinc/83/42/25/1196834225.db2.gz GNTMOCHFGVQKHY-PBHICJAKSA-N 2 1 359.478 0.571 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1cncn1C ZINC001088912585 1196834227 /nfs/dbraw/zinc/83/42/27/1196834227.db2.gz GNTMOCHFGVQKHY-PBHICJAKSA-N 2 1 359.478 0.571 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C)ncn1 ZINC001088912844 1196834307 /nfs/dbraw/zinc/83/43/07/1196834307.db2.gz UROYFWPMUQYQNF-QAPCUYQASA-N 2 1 371.489 0.936 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C)ncn1 ZINC001088912844 1196834310 /nfs/dbraw/zinc/83/43/10/1196834310.db2.gz UROYFWPMUQYQNF-QAPCUYQASA-N 2 1 371.489 0.936 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052927 1196876031 /nfs/dbraw/zinc/87/60/31/1196876031.db2.gz DRUSWQHWYLFQEN-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052927 1196876035 /nfs/dbraw/zinc/87/60/35/1196876035.db2.gz DRUSWQHWYLFQEN-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052927 1196876036 /nfs/dbraw/zinc/87/60/36/1196876036.db2.gz DRUSWQHWYLFQEN-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052927 1196876038 /nfs/dbraw/zinc/87/60/38/1196876038.db2.gz DRUSWQHWYLFQEN-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+]1CCCC1 ZINC001077503849 1197014764 /nfs/dbraw/zinc/01/47/64/1197014764.db2.gz ICIATXRBIYTZDE-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+]1CCCC1 ZINC001077503849 1197014770 /nfs/dbraw/zinc/01/47/70/1197014770.db2.gz ICIATXRBIYTZDE-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001083695997 1197101556 /nfs/dbraw/zinc/10/15/56/1197101556.db2.gz DPWVUCLWVMNZNI-SJORKVTESA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001083695997 1197101562 /nfs/dbraw/zinc/10/15/62/1197101562.db2.gz DPWVUCLWVMNZNI-SJORKVTESA-N 2 1 363.506 0.481 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925399361 1197131169 /nfs/dbraw/zinc/13/11/69/1197131169.db2.gz KXDBFDYYMDBGAI-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000992687361 1197302714 /nfs/dbraw/zinc/30/27/14/1197302714.db2.gz JNVYJBJMLHVIMJ-TXPKVOOTSA-N 2 1 360.502 0.483 20 0 FCADMP [NH3+]C1CCN(c2cccc(F)c2NC(=O)c2nnn3c2C[NH2+]CC3)CC1 ZINC001219296012 1224417479 /nfs/dbraw/zinc/41/74/79/1224417479.db2.gz KTDAVMQBQCKZPO-UHFFFAOYSA-N 2 1 359.409 0.700 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000992934837 1197613627 /nfs/dbraw/zinc/61/36/27/1197613627.db2.gz OJIGVEWVJLZKMR-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000992935836 1197614840 /nfs/dbraw/zinc/61/48/40/1197614840.db2.gz SOQRGNYZSNFKMR-TXPKVOOTSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000992935836 1197614848 /nfs/dbraw/zinc/61/48/48/1197614848.db2.gz SOQRGNYZSNFKMR-TXPKVOOTSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992948768 1197627251 /nfs/dbraw/zinc/62/72/51/1197627251.db2.gz PUYZTIVUZLQCOA-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992991810 1197651413 /nfs/dbraw/zinc/65/14/13/1197651413.db2.gz XYXOOSLYCUKWDP-AXVVYFOYSA-N 2 1 374.529 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106211157 1197702205 /nfs/dbraw/zinc/70/22/05/1197702205.db2.gz SOUAXHPDWZDGSY-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085245658 1197736738 /nfs/dbraw/zinc/73/67/38/1197736738.db2.gz GXHNXAWEDDAZMB-OAGGEKHMSA-N 2 1 364.490 0.637 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274354 1197743517 /nfs/dbraw/zinc/74/35/17/1197743517.db2.gz HITDELSPWBGJTD-KZNAEPCWSA-N 2 1 366.506 0.792 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106245050 1197775848 /nfs/dbraw/zinc/77/58/48/1197775848.db2.gz YZZRQOCZQWTLGF-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106250223 1197784113 /nfs/dbraw/zinc/78/41/13/1197784113.db2.gz YIEJHIPFOWOYNM-FMKPAKJESA-N 2 1 359.474 0.723 20 0 FCADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255664 1197791768 /nfs/dbraw/zinc/79/17/68/1197791768.db2.gz DKCHCSLHUVQIEJ-JFIYKMOQSA-N 2 1 371.522 0.179 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085331828 1197824572 /nfs/dbraw/zinc/82/45/72/1197824572.db2.gz BAPWUBMKLKEDCF-ARFHVFGLSA-N 2 1 364.490 0.637 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083726933 1197829196 /nfs/dbraw/zinc/82/91/96/1197829196.db2.gz BPRXPUFWGGPFFD-FZDIXFNVSA-N 2 1 361.486 0.571 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083726933 1197829197 /nfs/dbraw/zinc/82/91/97/1197829197.db2.gz BPRXPUFWGGPFFD-FZDIXFNVSA-N 2 1 361.486 0.571 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083726933 1197829198 /nfs/dbraw/zinc/82/91/98/1197829198.db2.gz BPRXPUFWGGPFFD-FZDIXFNVSA-N 2 1 361.486 0.571 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000735587085 1197864306 /nfs/dbraw/zinc/86/43/06/1197864306.db2.gz GTZVPKPKNXKZLE-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000735887217 1197895100 /nfs/dbraw/zinc/89/51/00/1197895100.db2.gz PQGVBWXCMYMARC-AWEZNQCLSA-N 2 1 356.430 0.972 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000735887217 1197895107 /nfs/dbraw/zinc/89/51/07/1197895107.db2.gz PQGVBWXCMYMARC-AWEZNQCLSA-N 2 1 356.430 0.972 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106590829 1198025522 /nfs/dbraw/zinc/02/55/22/1198025522.db2.gz APVGPGSQWHKJLU-VNQPRFMTSA-N 2 1 361.490 0.526 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001006278770 1198104099 /nfs/dbraw/zinc/10/40/99/1198104099.db2.gz DOARFIYZNIWALP-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001006278770 1198104103 /nfs/dbraw/zinc/10/41/03/1198104103.db2.gz DOARFIYZNIWALP-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001086090755 1198158904 /nfs/dbraw/zinc/15/89/04/1198158904.db2.gz PNLYCLVLOMDPFD-APIJFGDWSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001086090755 1198158913 /nfs/dbraw/zinc/15/89/13/1198158913.db2.gz PNLYCLVLOMDPFD-APIJFGDWSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001086090755 1198158924 /nfs/dbraw/zinc/15/89/24/1198158924.db2.gz PNLYCLVLOMDPFD-APIJFGDWSA-N 2 1 363.510 0.753 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001006295567 1198308813 /nfs/dbraw/zinc/30/88/13/1198308813.db2.gz SYMSKHQXIACLMG-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001006295567 1198308823 /nfs/dbraw/zinc/30/88/23/1198308823.db2.gz SYMSKHQXIACLMG-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400426 1198355016 /nfs/dbraw/zinc/35/50/16/1198355016.db2.gz GVLVKUJMRMLTJJ-DNNBLBMLSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400426 1198355024 /nfs/dbraw/zinc/35/50/24/1198355024.db2.gz GVLVKUJMRMLTJJ-DNNBLBMLSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086484155 1198958847 /nfs/dbraw/zinc/95/88/47/1198958847.db2.gz KVDIKPOZEWXKCF-XWJBARJFSA-N 2 1 358.486 0.690 20 0 FCADMP CC[NH+]1CCC([N@@H+]2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)CC1 ZINC001169255576 1199059746 /nfs/dbraw/zinc/05/97/46/1199059746.db2.gz SKRIAIZLABIBIS-UHFFFAOYSA-N 2 1 360.502 0.821 20 0 FCADMP CC[NH+]1CCC([N@H+]2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)CC1 ZINC001169255576 1199059752 /nfs/dbraw/zinc/05/97/52/1199059752.db2.gz SKRIAIZLABIBIS-UHFFFAOYSA-N 2 1 360.502 0.821 20 0 FCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC001169402222 1199062141 /nfs/dbraw/zinc/06/21/41/1199062141.db2.gz BBPQZFANKIAAJM-IAGOWNOFSA-N 2 1 367.490 0.583 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129337648 1199079349 /nfs/dbraw/zinc/07/93/49/1199079349.db2.gz RPYYFHPWRCXNCK-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609005 1199080457 /nfs/dbraw/zinc/08/04/57/1199080457.db2.gz GTJKGMUBKJAGSY-FGTMMUONSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)N1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609005 1199080462 /nfs/dbraw/zinc/08/04/62/1199080462.db2.gz GTJKGMUBKJAGSY-FGTMMUONSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)N1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609005 1199080467 /nfs/dbraw/zinc/08/04/67/1199080467.db2.gz GTJKGMUBKJAGSY-FGTMMUONSA-N 2 1 366.506 0.108 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370160 1199128093 /nfs/dbraw/zinc/12/80/93/1199128093.db2.gz QMPJWBLPKDPVPN-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370160 1199128100 /nfs/dbraw/zinc/12/81/00/1199128100.db2.gz QMPJWBLPKDPVPN-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370160 1199128104 /nfs/dbraw/zinc/12/81/04/1199128104.db2.gz QMPJWBLPKDPVPN-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370168 1199128580 /nfs/dbraw/zinc/12/85/80/1199128580.db2.gz QVENWPJJWWKSTG-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370168 1199128583 /nfs/dbraw/zinc/12/85/83/1199128583.db2.gz QVENWPJJWWKSTG-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370168 1199128586 /nfs/dbraw/zinc/12/85/86/1199128586.db2.gz QVENWPJJWWKSTG-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726410 1224579605 /nfs/dbraw/zinc/57/96/05/1224579605.db2.gz IRLSFHLKZQTZAT-MSOLQXFVSA-N 3 1 360.502 0.578 20 0 FCADMP COC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726410 1224579609 /nfs/dbraw/zinc/57/96/09/1224579609.db2.gz IRLSFHLKZQTZAT-MSOLQXFVSA-N 2 1 360.502 0.578 20 0 FCADMP COC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726410 1224579612 /nfs/dbraw/zinc/57/96/12/1224579612.db2.gz IRLSFHLKZQTZAT-MSOLQXFVSA-N 2 1 360.502 0.578 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219726755 1224580175 /nfs/dbraw/zinc/58/01/75/1224580175.db2.gz OICGDUXGHNFIJM-FHWLQOOXSA-N 3 1 372.513 0.327 20 0 FCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768217205 1200125478 /nfs/dbraw/zinc/12/54/78/1200125478.db2.gz LBISWYHFTRUNPA-RYQLBKOJSA-N 2 1 365.474 0.925 20 0 FCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768217204 1200126072 /nfs/dbraw/zinc/12/60/72/1200126072.db2.gz LBISWYHFTRUNPA-JQHSSLGASA-N 2 1 365.474 0.925 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219764924 1224601240 /nfs/dbraw/zinc/60/12/40/1224601240.db2.gz PIYDQDXXFUYCQI-AEFFLSMTSA-N 2 1 357.502 0.404 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001219764924 1224601248 /nfs/dbraw/zinc/60/12/48/1224601248.db2.gz PIYDQDXXFUYCQI-AEFFLSMTSA-N 2 1 357.502 0.404 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cc[nH+]cc1 ZINC001109470288 1200313768 /nfs/dbraw/zinc/31/37/68/1200313768.db2.gz VKAMLZPWQMKTNI-SQNIBIBYSA-N 2 1 362.474 0.638 20 0 FCADMP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538724 1200370293 /nfs/dbraw/zinc/37/02/93/1200370293.db2.gz PLFYVNFEMCOTLB-OWEAFNKSSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538724 1200370304 /nfs/dbraw/zinc/37/03/04/1200370304.db2.gz PLFYVNFEMCOTLB-OWEAFNKSSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538724 1200370318 /nfs/dbraw/zinc/37/03/18/1200370318.db2.gz PLFYVNFEMCOTLB-OWEAFNKSSA-N 2 1 363.502 0.998 20 0 FCADMP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538503 1200371624 /nfs/dbraw/zinc/37/16/24/1200371624.db2.gz FQWFPFKVQAYHIQ-IBTBTWTJSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538503 1200371632 /nfs/dbraw/zinc/37/16/32/1200371632.db2.gz FQWFPFKVQAYHIQ-IBTBTWTJSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538503 1200371644 /nfs/dbraw/zinc/37/16/44/1200371644.db2.gz FQWFPFKVQAYHIQ-IBTBTWTJSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649794 1200442439 /nfs/dbraw/zinc/44/24/39/1200442439.db2.gz DXWYMYAVJURRQH-PMPSAXMXSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649794 1200442442 /nfs/dbraw/zinc/44/24/42/1200442442.db2.gz DXWYMYAVJURRQH-PMPSAXMXSA-N 2 1 365.522 0.757 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001109654070 1200445906 /nfs/dbraw/zinc/44/59/06/1200445906.db2.gz UOTSOLVRLUSSFD-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001109654070 1200445909 /nfs/dbraw/zinc/44/59/09/1200445909.db2.gz UOTSOLVRLUSSFD-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792499 1224614758 /nfs/dbraw/zinc/61/47/58/1224614758.db2.gz NJXLSMWRKLOVAW-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792499 1224614761 /nfs/dbraw/zinc/61/47/61/1224614761.db2.gz NJXLSMWRKLOVAW-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792499 1224614765 /nfs/dbraw/zinc/61/47/65/1224614765.db2.gz NJXLSMWRKLOVAW-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792499 1224614769 /nfs/dbraw/zinc/61/47/69/1224614769.db2.gz NJXLSMWRKLOVAW-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001109865616 1200576926 /nfs/dbraw/zinc/57/69/26/1200576926.db2.gz VXPWSEWXSKQBQZ-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800184 1224619721 /nfs/dbraw/zinc/61/97/21/1224619721.db2.gz HMXNWFBYUOCRGF-RBUKOAKNSA-N 2 1 372.513 0.735 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800184 1224619724 /nfs/dbraw/zinc/61/97/24/1224619724.db2.gz HMXNWFBYUOCRGF-RBUKOAKNSA-N 2 1 372.513 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001109932773 1200617787 /nfs/dbraw/zinc/61/77/87/1200617787.db2.gz SGPPQZKZWKWIJH-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001109932773 1200617790 /nfs/dbraw/zinc/61/77/90/1200617790.db2.gz SGPPQZKZWKWIJH-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001109932773 1200617795 /nfs/dbraw/zinc/61/77/95/1200617795.db2.gz SGPPQZKZWKWIJH-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980646 1200663416 /nfs/dbraw/zinc/66/34/16/1200663416.db2.gz UVLDGFFLIRSKIL-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980646 1200663420 /nfs/dbraw/zinc/66/34/20/1200663420.db2.gz UVLDGFFLIRSKIL-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982508 1200674899 /nfs/dbraw/zinc/67/48/99/1200674899.db2.gz GIMIVFLJHQNABI-PMPSAXMXSA-N 2 1 363.506 0.511 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982508 1200674902 /nfs/dbraw/zinc/67/49/02/1200674902.db2.gz GIMIVFLJHQNABI-PMPSAXMXSA-N 2 1 363.506 0.511 20 0 FCADMP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805815 1224625178 /nfs/dbraw/zinc/62/51/78/1224625178.db2.gz DSHHIOWGSYUUOG-IBGZPJMESA-N 2 1 373.432 0.452 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001110017822 1200708738 /nfs/dbraw/zinc/70/87/38/1200708738.db2.gz OCLYFJNUBGGBNL-BDXSIMOUSA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001110017822 1200708751 /nfs/dbraw/zinc/70/87/51/1200708751.db2.gz OCLYFJNUBGGBNL-BDXSIMOUSA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001110017822 1200708756 /nfs/dbraw/zinc/70/87/56/1200708756.db2.gz OCLYFJNUBGGBNL-BDXSIMOUSA-N 2 1 371.522 0.464 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219813886 1224629461 /nfs/dbraw/zinc/62/94/61/1224629461.db2.gz JIKKISXCFWTLNK-MOPGFXCFSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219813886 1224629470 /nfs/dbraw/zinc/62/94/70/1224629470.db2.gz JIKKISXCFWTLNK-MOPGFXCFSA-N 2 1 361.486 0.849 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650796 1200778518 /nfs/dbraw/zinc/77/85/18/1200778518.db2.gz RTXDUXHFSGZLEW-SJORKVTESA-N 2 1 367.490 0.585 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650796 1200778523 /nfs/dbraw/zinc/77/85/23/1200778523.db2.gz RTXDUXHFSGZLEW-SJORKVTESA-N 2 1 367.490 0.585 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001112578375 1200816565 /nfs/dbraw/zinc/81/65/65/1200816565.db2.gz LUDSFEVCZXYEDC-ZWOKBUDYSA-N 2 1 362.518 0.779 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112586368 1200822474 /nfs/dbraw/zinc/82/24/74/1200822474.db2.gz WCUPNAOVTFOMJJ-KHYOSLBOSA-N 2 1 364.490 0.350 20 0 FCADMP C[C@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1CC(C)(C)O ZINC000790385947 1201072250 /nfs/dbraw/zinc/07/22/50/1201072250.db2.gz OMOIXEBICZAUDV-KXBFYZLASA-N 2 1 366.506 0.638 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391176 1201072347 /nfs/dbraw/zinc/07/23/47/1201072347.db2.gz ZQKSONCXJIGOJK-BEFAXECRSA-N 2 1 366.506 0.638 20 0 FCADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368825 1201075008 /nfs/dbraw/zinc/07/50/08/1201075008.db2.gz KDJGKEJAQWVVCC-QAPCUYQASA-N 2 1 360.462 0.864 20 0 FCADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368825 1201075014 /nfs/dbraw/zinc/07/50/14/1201075014.db2.gz KDJGKEJAQWVVCC-QAPCUYQASA-N 2 1 360.462 0.864 20 0 FCADMP Cn1cncc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392984 1201208417 /nfs/dbraw/zinc/20/84/17/1201208417.db2.gz JAULBTBDFSTCDI-JBJRXJHCSA-N 2 1 369.510 0.694 20 0 FCADMP Cn1cncc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392988 1201208856 /nfs/dbraw/zinc/20/88/56/1201208856.db2.gz JAULBTBDFSTCDI-WLRQEKSISA-N 2 1 369.510 0.694 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793715020 1201254298 /nfs/dbraw/zinc/25/42/98/1201254298.db2.gz VGBVSZDKWIZEHH-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793715020 1201254300 /nfs/dbraw/zinc/25/43/00/1201254300.db2.gz VGBVSZDKWIZEHH-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793902491 1201274574 /nfs/dbraw/zinc/27/45/74/1201274574.db2.gz RFWGNZVEEVEKQN-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793902491 1201274578 /nfs/dbraw/zinc/27/45/78/1201274578.db2.gz RFWGNZVEEVEKQN-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793902491 1201274581 /nfs/dbraw/zinc/27/45/81/1201274581.db2.gz RFWGNZVEEVEKQN-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086623650 1201350921 /nfs/dbraw/zinc/35/09/21/1201350921.db2.gz OXZZKWRWEDGPQM-RBUKOAKNSA-N 2 1 368.485 0.958 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877514 1224668775 /nfs/dbraw/zinc/66/87/75/1224668775.db2.gz JNQFFYDMFXJJQI-SJORKVTESA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877514 1224668781 /nfs/dbraw/zinc/66/87/81/1224668781.db2.gz JNQFFYDMFXJJQI-SJORKVTESA-N 2 1 371.522 0.179 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686059 1201371051 /nfs/dbraw/zinc/37/10/51/1201371051.db2.gz VYBLUYLMIHOXMJ-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129884019 1201412913 /nfs/dbraw/zinc/41/29/13/1201412913.db2.gz GSMMNLJVDHUCLQ-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919496 1201441527 /nfs/dbraw/zinc/44/15/27/1201441527.db2.gz YEIDDICHLFFUSH-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011970 1201471267 /nfs/dbraw/zinc/47/12/67/1201471267.db2.gz HEDSOAUEMLDENI-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130040870 1201478360 /nfs/dbraw/zinc/47/83/60/1201478360.db2.gz PVUNHXCJDVWPDX-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026288 1201479746 /nfs/dbraw/zinc/47/97/46/1201479746.db2.gz KCUDWJFGKYKAGP-CABCVRRESA-N 2 1 361.450 0.286 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086362 1201494792 /nfs/dbraw/zinc/49/47/92/1201494792.db2.gz XQJJCCNFOFTEEU-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130096499 1201499185 /nfs/dbraw/zinc/49/91/85/1201499185.db2.gz ITLMFRCDNZYUBQ-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910704 1224677990 /nfs/dbraw/zinc/67/79/90/1224677990.db2.gz PDMGUNYOCLQQJK-NXHRZFHOSA-N 2 1 362.474 0.496 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCc2ccc3c(c2)OCCO3)O1 ZINC001130182323 1201522568 /nfs/dbraw/zinc/52/25/68/1201522568.db2.gz CGJAAMIJIPEAMO-RDTXWAMCSA-N 2 1 363.458 0.425 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCc2ccc3c(c2)OCCO3)O1 ZINC001130182323 1201522573 /nfs/dbraw/zinc/52/25/73/1201522573.db2.gz CGJAAMIJIPEAMO-RDTXWAMCSA-N 2 1 363.458 0.425 20 0 FCADMP CCCCN(CCCC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184224 1201535750 /nfs/dbraw/zinc/53/57/50/1201535750.db2.gz GZKXQJICGAQGIY-IAGOWNOFSA-N 2 1 370.538 0.840 20 0 FCADMP CCCCN(CCCC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184224 1201535753 /nfs/dbraw/zinc/53/57/53/1201535753.db2.gz GZKXQJICGAQGIY-IAGOWNOFSA-N 2 1 370.538 0.840 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919536 1224680661 /nfs/dbraw/zinc/68/06/61/1224680661.db2.gz BRINJNGCZUEZAB-MSOLQXFVSA-N 2 1 364.490 0.886 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919905 1224681247 /nfs/dbraw/zinc/68/12/47/1224681247.db2.gz SNHJWMZHNQSSRS-MSOLQXFVSA-N 2 1 362.474 0.496 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919970 1224681804 /nfs/dbraw/zinc/68/18/04/1224681804.db2.gz VMROYGOKCGOQJB-MSOLQXFVSA-N 2 1 362.474 0.496 20 0 FCADMP C[C@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234630 1201558561 /nfs/dbraw/zinc/55/85/61/1201558561.db2.gz FIKAXRNFUKDSPU-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP C[C@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234630 1201558566 /nfs/dbraw/zinc/55/85/66/1201558566.db2.gz FIKAXRNFUKDSPU-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130232958 1201558587 /nfs/dbraw/zinc/55/85/87/1201558587.db2.gz WARXCCBKXVKXJB-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130232958 1201558590 /nfs/dbraw/zinc/55/85/90/1201558590.db2.gz WARXCCBKXVKXJB-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001130234871 1201559274 /nfs/dbraw/zinc/55/92/74/1201559274.db2.gz MZAWQULIEBSJJX-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001130234871 1201559277 /nfs/dbraw/zinc/55/92/77/1201559277.db2.gz MZAWQULIEBSJJX-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP C[NH+]1CCC(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC1 ZINC001130235020 1201559463 /nfs/dbraw/zinc/55/94/63/1201559463.db2.gz RIWZTXLYNYQFFI-KBPBESRZSA-N 2 1 368.457 0.194 20 0 FCADMP C[NH+]1CCC(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC1 ZINC001130235020 1201559465 /nfs/dbraw/zinc/55/94/65/1201559465.db2.gz RIWZTXLYNYQFFI-KBPBESRZSA-N 2 1 368.457 0.194 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001130237968 1201560439 /nfs/dbraw/zinc/56/04/39/1201560439.db2.gz MVCJNWRNBDOPOV-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130237968 1201560440 /nfs/dbraw/zinc/56/04/40/1201560440.db2.gz MVCJNWRNBDOPOV-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130237968 1201560443 /nfs/dbraw/zinc/56/04/43/1201560443.db2.gz MVCJNWRNBDOPOV-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130246689 1201565870 /nfs/dbraw/zinc/56/58/70/1201565870.db2.gz MVHKBNHUAVTEQP-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130246689 1201565872 /nfs/dbraw/zinc/56/58/72/1201565872.db2.gz MVHKBNHUAVTEQP-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130246689 1201565875 /nfs/dbraw/zinc/56/58/75/1201565875.db2.gz MVHKBNHUAVTEQP-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130246689 1201565876 /nfs/dbraw/zinc/56/58/76/1201565876.db2.gz MVHKBNHUAVTEQP-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130246689 1201565878 /nfs/dbraw/zinc/56/58/78/1201565878.db2.gz MVHKBNHUAVTEQP-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219941331 1224692198 /nfs/dbraw/zinc/69/21/98/1224692198.db2.gz VKBMXJSRJFGJAL-ZWKOTPCHSA-N 2 1 358.486 0.345 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987348 1224716676 /nfs/dbraw/zinc/71/66/76/1224716676.db2.gz PCGUYRYBJMXJRZ-XYPHTWIQSA-N 2 1 359.430 0.203 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987296 1224717010 /nfs/dbraw/zinc/71/70/10/1224717010.db2.gz MXNXXKRTMDTCPK-SJORKVTESA-N 2 1 359.430 0.469 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001220020844 1224730033 /nfs/dbraw/zinc/73/00/33/1224730033.db2.gz XYRAQFJGWMITFP-HNNXBMFYSA-N 2 1 371.441 0.721 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614653 1202731289 /nfs/dbraw/zinc/73/12/89/1202731289.db2.gz ADFXPGDQFSGPPT-CYGHRXIMSA-N 2 1 363.506 0.823 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614653 1202731291 /nfs/dbraw/zinc/73/12/91/1202731291.db2.gz ADFXPGDQFSGPPT-CYGHRXIMSA-N 2 1 363.506 0.823 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652213 1202743068 /nfs/dbraw/zinc/74/30/68/1202743068.db2.gz JTRCUBHXLOVYGI-NBOOPKSLSA-N 2 1 363.506 0.681 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712794 1202759441 /nfs/dbraw/zinc/75/94/41/1202759441.db2.gz MDQCVUYSTCPSJB-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130725706 1202767290 /nfs/dbraw/zinc/76/72/90/1202767290.db2.gz ALYBPEFQDXHKHY-DOTOQJQBSA-N 2 1 360.462 0.546 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220071833 1224745457 /nfs/dbraw/zinc/74/54/57/1224745457.db2.gz UGEKBYGXUDGWPR-GJZGRUSLSA-N 3 1 362.478 0.036 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC[N@H+]1C ZINC001130782974 1202793948 /nfs/dbraw/zinc/79/39/48/1202793948.db2.gz HXVFKMCFGOQHCS-XJFOESAGSA-N 2 1 368.457 0.540 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CC[N@@H+]1C ZINC001130782974 1202793950 /nfs/dbraw/zinc/79/39/50/1202793950.db2.gz HXVFKMCFGOQHCS-XJFOESAGSA-N 2 1 368.457 0.540 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CC[N@H+]1C ZINC001130782974 1202793952 /nfs/dbraw/zinc/79/39/52/1202793952.db2.gz HXVFKMCFGOQHCS-XJFOESAGSA-N 2 1 368.457 0.540 20 0 FCADMP COC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130804348 1202800602 /nfs/dbraw/zinc/80/06/02/1202800602.db2.gz DXXVXHNLRFMACR-HZSPNIEDSA-N 2 1 368.482 0.217 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130813444 1202806173 /nfs/dbraw/zinc/80/61/73/1202806173.db2.gz PPDTUTNZGXABEH-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130813444 1202806174 /nfs/dbraw/zinc/80/61/74/1202806174.db2.gz PPDTUTNZGXABEH-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130813444 1202806175 /nfs/dbraw/zinc/80/61/75/1202806175.db2.gz PPDTUTNZGXABEH-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130815915 1202806660 /nfs/dbraw/zinc/80/66/60/1202806660.db2.gz GWGMNOYLSPIMCF-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)C1 ZINC001130817253 1202807818 /nfs/dbraw/zinc/80/78/18/1202807818.db2.gz IMHAWMRLFSRXMJ-HZSPNIEDSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)C1 ZINC001130817253 1202807820 /nfs/dbraw/zinc/80/78/20/1202807820.db2.gz IMHAWMRLFSRXMJ-HZSPNIEDSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)C1 ZINC001130817253 1202807822 /nfs/dbraw/zinc/80/78/22/1202807822.db2.gz IMHAWMRLFSRXMJ-HZSPNIEDSA-N 2 1 368.457 0.542 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943952 1202827311 /nfs/dbraw/zinc/82/73/11/1202827311.db2.gz PXDKQOZMXNNSHP-ZACQAIPSSA-N 2 1 363.506 0.825 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988876 1202837563 /nfs/dbraw/zinc/83/75/63/1202837563.db2.gz OCFNKJHVFUMQOF-ZACQAIPSSA-N 2 1 363.506 0.823 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001086665067 1202887233 /nfs/dbraw/zinc/88/72/33/1202887233.db2.gz OZUVESJIVPKEDI-DAYGRLMNSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001086665067 1202887235 /nfs/dbraw/zinc/88/72/35/1202887235.db2.gz OZUVESJIVPKEDI-DAYGRLMNSA-N 2 1 362.474 0.795 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001131522616 1202911233 /nfs/dbraw/zinc/91/12/33/1202911233.db2.gz PWNLRALUWXIRLZ-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555739 1202913335 /nfs/dbraw/zinc/91/33/35/1202913335.db2.gz UROWQXAZQUBDTR-QAPCUYQASA-N 2 1 365.478 0.815 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131588201 1202916675 /nfs/dbraw/zinc/91/66/75/1202916675.db2.gz WQEISYDNGBJUQN-APWZRJJASA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131595357 1202919158 /nfs/dbraw/zinc/91/91/58/1202919158.db2.gz VHHMADUWJYLPQP-APWZRJJASA-N 2 1 368.522 0.450 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609048 1202920806 /nfs/dbraw/zinc/92/08/06/1202920806.db2.gz XSHZSECPUGSBGM-SCTDSRPQSA-N 2 1 371.522 0.320 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)[C@@H](c2ccccc2)C1 ZINC001134126438 1203015700 /nfs/dbraw/zinc/01/57/00/1203015700.db2.gz QMGUKPHPTBVLMD-MSOLQXFVSA-N 2 1 358.486 0.564 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126551 1203015738 /nfs/dbraw/zinc/01/57/38/1203015738.db2.gz XHMADUBCOIZNQY-JQHSSLGASA-N 2 1 360.502 0.952 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn2cc[nH+]c12 ZINC000815506609 1203040096 /nfs/dbraw/zinc/04/00/96/1203040096.db2.gz DPVNKTAPAILOLW-CABCVRRESA-N 2 1 357.414 0.561 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn2cc[nH+]c12 ZINC000815506609 1203040099 /nfs/dbraw/zinc/04/00/99/1203040099.db2.gz DPVNKTAPAILOLW-CABCVRRESA-N 2 1 357.414 0.561 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086732072 1203056755 /nfs/dbraw/zinc/05/67/55/1203056755.db2.gz TUHHAXWRIKXLGK-JYYAWHABSA-N 2 1 364.494 0.392 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086732072 1203056760 /nfs/dbraw/zinc/05/67/60/1203056760.db2.gz TUHHAXWRIKXLGK-JYYAWHABSA-N 2 1 364.494 0.392 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC001086784912 1203092587 /nfs/dbraw/zinc/09/25/87/1203092587.db2.gz APSAGHDWKHAOFO-GVDBMIGSSA-N 2 1 361.490 0.960 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001086785205 1203092650 /nfs/dbraw/zinc/09/26/50/1203092650.db2.gz ODYXYKGEQJPCDX-JZXOWHBKSA-N 2 1 363.506 0.904 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnn(C)n3)C1)CC2 ZINC001086787076 1203093767 /nfs/dbraw/zinc/09/37/67/1203093767.db2.gz CKGLWNWJXPVGER-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnn(C)n3)C1)C2 ZINC001086802841 1203101336 /nfs/dbraw/zinc/10/13/36/1203101336.db2.gz CTRHLJSTSIWVEL-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000817975273 1203129634 /nfs/dbraw/zinc/12/96/34/1203129634.db2.gz SMWRUVNWHPYPQA-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817971324 1203129775 /nfs/dbraw/zinc/12/97/75/1203129775.db2.gz CITROGKJHBIACP-BEFAXECRSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986727 1203130012 /nfs/dbraw/zinc/13/00/12/1203130012.db2.gz NPVLTCVRWFWPHR-RIFZZMRRSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(CO[C@H]1CCC[NH2+]C1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000844191258 1203338510 /nfs/dbraw/zinc/33/85/10/1203338510.db2.gz VKJSATVGFGIDAY-SFHVURJKSA-N 2 1 361.490 0.479 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001220224699 1224808842 /nfs/dbraw/zinc/80/88/42/1224808842.db2.gz YMRVYSISZRDLPU-NXHRZFHOSA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001220224699 1224808843 /nfs/dbraw/zinc/80/88/43/1224808843.db2.gz YMRVYSISZRDLPU-NXHRZFHOSA-N 2 1 364.490 0.730 20 0 FCADMP COC(=O)[C@@]1(NC(=O)CNC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228340 1224809661 /nfs/dbraw/zinc/80/96/61/1224809661.db2.gz JLTIQKOVGJHUCK-HXUWFJFHSA-N 2 1 374.485 0.262 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220227387 1224809767 /nfs/dbraw/zinc/80/97/67/1224809767.db2.gz QVGMEPWVUKEPFV-SJORKVTESA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220227387 1224809768 /nfs/dbraw/zinc/80/97/68/1224809768.db2.gz QVGMEPWVUKEPFV-SJORKVTESA-N 2 1 365.449 0.708 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228343 1224810139 /nfs/dbraw/zinc/81/01/39/1224810139.db2.gz JLZFECOOBCPJIV-XLIONFOSSA-N 3 1 374.485 0.247 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC001220228343 1224810140 /nfs/dbraw/zinc/81/01/40/1224810140.db2.gz JLZFECOOBCPJIV-XLIONFOSSA-N 2 1 374.485 0.247 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001220228795 1224810554 /nfs/dbraw/zinc/81/05/54/1224810554.db2.gz YDPORHSTZVCXIA-QFBILLFUSA-N 3 1 362.474 0.377 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC001220228795 1224810559 /nfs/dbraw/zinc/81/05/59/1224810559.db2.gz YDPORHSTZVCXIA-QFBILLFUSA-N 2 1 362.474 0.377 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220236989 1224812372 /nfs/dbraw/zinc/81/23/72/1224812372.db2.gz MOFARFKFNUWMLL-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220236989 1224812374 /nfs/dbraw/zinc/81/23/74/1224812374.db2.gz MOFARFKFNUWMLL-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP CN(CC(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)C(N)=[NH2+] ZINC001144132656 1204423034 /nfs/dbraw/zinc/42/30/34/1204423034.db2.gz ZQJQZFRZAPSBPH-USXIJHARSA-N 2 1 358.490 0.966 20 0 FCADMP CN(CC(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)C(N)=[NH2+] ZINC001144132654 1204423454 /nfs/dbraw/zinc/42/34/54/1204423454.db2.gz ZQJQZFRZAPSBPH-BHYGNILZSA-N 2 1 358.490 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001091035847 1204448837 /nfs/dbraw/zinc/44/88/37/1204448837.db2.gz LKJXSTCXMFQLHE-XSCHDIRWSA-N 2 1 362.478 0.133 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001091036133 1204448868 /nfs/dbraw/zinc/44/88/68/1204448868.db2.gz VJEVPHCRNOCGBX-BLYZHGLHSA-N 2 1 370.448 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001091035974 1204449211 /nfs/dbraw/zinc/44/92/11/1204449211.db2.gz PNLYCLVLOMDPFD-XSCHDIRWSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001091035974 1204449216 /nfs/dbraw/zinc/44/92/16/1204449216.db2.gz PNLYCLVLOMDPFD-XSCHDIRWSA-N 2 1 363.510 0.753 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nc(COC)no3)C2)CC[N@H+]1C ZINC001091039308 1204453919 /nfs/dbraw/zinc/45/39/19/1204453919.db2.gz YNHLBTYCMARUDU-PFSRBDOWSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001091039308 1204453922 /nfs/dbraw/zinc/45/39/22/1204453922.db2.gz YNHLBTYCMARUDU-PFSRBDOWSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001091039308 1204453925 /nfs/dbraw/zinc/45/39/25/1204453925.db2.gz YNHLBTYCMARUDU-PFSRBDOWSA-N 2 1 365.478 0.931 20 0 FCADMP COc1nccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097217 1204514254 /nfs/dbraw/zinc/51/42/54/1204514254.db2.gz KYJSFNWKTXBMRJ-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP COc1nccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097217 1204514259 /nfs/dbraw/zinc/51/42/59/1204514259.db2.gz KYJSFNWKTXBMRJ-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097888 1204514628 /nfs/dbraw/zinc/51/46/28/1204514628.db2.gz YMRMXNIRCVBJGD-BOSFTKNMSA-N 2 1 364.494 0.098 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097888 1204514632 /nfs/dbraw/zinc/51/46/32/1204514632.db2.gz YMRMXNIRCVBJGD-BOSFTKNMSA-N 2 1 364.494 0.098 20 0 FCADMP COCC[NH+]1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845504777 1204522788 /nfs/dbraw/zinc/52/27/88/1204522788.db2.gz DPTVEVPMUHIFPI-OAHLLOKOSA-N 2 1 372.510 0.622 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352054 1224840327 /nfs/dbraw/zinc/84/03/27/1224840327.db2.gz RMARTXFLHHSHRF-UHOSZYNNSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352054 1224840330 /nfs/dbraw/zinc/84/03/30/1224840330.db2.gz RMARTXFLHHSHRF-UHOSZYNNSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352054 1224840332 /nfs/dbraw/zinc/84/03/32/1224840332.db2.gz RMARTXFLHHSHRF-UHOSZYNNSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352054 1224840337 /nfs/dbraw/zinc/84/03/37/1224840337.db2.gz RMARTXFLHHSHRF-UHOSZYNNSA-N 2 1 361.486 0.849 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@@H](Cc2ccccc2)C1 ZINC000846356823 1204619880 /nfs/dbraw/zinc/61/98/80/1204619880.db2.gz LJJAYAWMHZLTRC-RXVVDRJESA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@@H](Cc2ccccc2)C1 ZINC000846356823 1204619884 /nfs/dbraw/zinc/61/98/84/1204619884.db2.gz LJJAYAWMHZLTRC-RXVVDRJESA-N 2 1 370.497 0.726 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369666 1224846558 /nfs/dbraw/zinc/84/65/58/1224846558.db2.gz MPEMRTZBFBJYPM-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369666 1224846563 /nfs/dbraw/zinc/84/65/63/1224846563.db2.gz MPEMRTZBFBJYPM-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369666 1224846568 /nfs/dbraw/zinc/84/65/68/1224846568.db2.gz MPEMRTZBFBJYPM-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373030 1224847567 /nfs/dbraw/zinc/84/75/67/1224847567.db2.gz WVNRITABWLMXOH-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373030 1224847574 /nfs/dbraw/zinc/84/75/74/1224847574.db2.gz WVNRITABWLMXOH-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373030 1224847579 /nfs/dbraw/zinc/84/75/79/1224847579.db2.gz WVNRITABWLMXOH-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373030 1224847580 /nfs/dbraw/zinc/84/75/80/1224847580.db2.gz WVNRITABWLMXOH-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@@H]1O)[NH+](C)C ZINC001220377662 1224848955 /nfs/dbraw/zinc/84/89/55/1224848955.db2.gz JAJOXZPOMQYNSO-SQNIBIBYSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@@H]1O)[NH+](C)C ZINC001220377662 1224848962 /nfs/dbraw/zinc/84/89/62/1224848962.db2.gz JAJOXZPOMQYNSO-SQNIBIBYSA-N 2 1 365.474 0.576 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582884 1204798522 /nfs/dbraw/zinc/79/85/22/1204798522.db2.gz HNMPGWUHTDEZFU-HZPDHXFCSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582884 1204798527 /nfs/dbraw/zinc/79/85/27/1204798527.db2.gz HNMPGWUHTDEZFU-HZPDHXFCSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582884 1204798538 /nfs/dbraw/zinc/79/85/38/1204798538.db2.gz HNMPGWUHTDEZFU-HZPDHXFCSA-N 2 1 365.522 0.569 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147583428 1204799340 /nfs/dbraw/zinc/79/93/40/1204799340.db2.gz PVZOOBLEAPFFJS-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147583428 1204799349 /nfs/dbraw/zinc/79/93/49/1204799349.db2.gz PVZOOBLEAPFFJS-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147583428 1204799360 /nfs/dbraw/zinc/79/93/60/1204799360.db2.gz PVZOOBLEAPFFJS-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664537 1204811502 /nfs/dbraw/zinc/81/15/02/1204811502.db2.gz RMBCJNLBWQEJFK-HLIPFELVSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664537 1204811504 /nfs/dbraw/zinc/81/15/04/1204811504.db2.gz RMBCJNLBWQEJFK-HLIPFELVSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664537 1204811505 /nfs/dbraw/zinc/81/15/05/1204811505.db2.gz RMBCJNLBWQEJFK-HLIPFELVSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091677230 1204817894 /nfs/dbraw/zinc/81/78/94/1204817894.db2.gz NDAGYFYUDSIFKH-LMMKCTJWSA-N 2 1 358.490 0.400 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678142 1204818098 /nfs/dbraw/zinc/81/80/98/1204818098.db2.gz YKAQJTIBAOLSEO-AYBZRNKSSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678142 1204818099 /nfs/dbraw/zinc/81/80/99/1204818099.db2.gz YKAQJTIBAOLSEO-AYBZRNKSSA-N 2 1 358.490 0.437 20 0 FCADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3C[NH+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689992 1204824704 /nfs/dbraw/zinc/82/47/04/1204824704.db2.gz FSQVNAKLBYZSIW-LJHODMEESA-N 2 1 361.490 0.953 20 0 FCADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3C[NH+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689992 1204824705 /nfs/dbraw/zinc/82/47/05/1204824705.db2.gz FSQVNAKLBYZSIW-LJHODMEESA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689992 1204824706 /nfs/dbraw/zinc/82/47/06/1204824706.db2.gz FSQVNAKLBYZSIW-LJHODMEESA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689992 1204824708 /nfs/dbraw/zinc/82/47/08/1204824708.db2.gz FSQVNAKLBYZSIW-LJHODMEESA-N 2 1 361.490 0.953 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716841 1204831882 /nfs/dbraw/zinc/83/18/82/1204831882.db2.gz WSMLRTCSIAQZSC-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716841 1204831886 /nfs/dbraw/zinc/83/18/86/1204831886.db2.gz WSMLRTCSIAQZSC-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716841 1204831887 /nfs/dbraw/zinc/83/18/87/1204831887.db2.gz WSMLRTCSIAQZSC-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720915 1204832174 /nfs/dbraw/zinc/83/21/74/1204832174.db2.gz GVBIQNSAALPJNN-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740807 1204838274 /nfs/dbraw/zinc/83/82/74/1204838274.db2.gz JRXWBWBTBMOGHB-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740807 1204838275 /nfs/dbraw/zinc/83/82/75/1204838275.db2.gz JRXWBWBTBMOGHB-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740807 1204838276 /nfs/dbraw/zinc/83/82/76/1204838276.db2.gz JRXWBWBTBMOGHB-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CCn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086880594 1204856050 /nfs/dbraw/zinc/85/60/50/1204856050.db2.gz GWAXGNOQSYIUBW-BBWFWOEESA-N 2 1 363.506 0.998 20 0 FCADMP CCn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880594 1204856051 /nfs/dbraw/zinc/85/60/51/1204856051.db2.gz GWAXGNOQSYIUBW-BBWFWOEESA-N 2 1 363.506 0.998 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)C1 ZINC001086875355 1204858719 /nfs/dbraw/zinc/85/87/19/1204858719.db2.gz PJSLIZKEVRHUBI-BFHYXJOUSA-N 2 1 370.448 0.869 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2[NH2+]CCO)cn1 ZINC001086982294 1204878224 /nfs/dbraw/zinc/87/82/24/1204878224.db2.gz CRURXDBYLUVNDD-XHSDSOJGSA-N 2 1 358.446 0.071 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087034984 1204910817 /nfs/dbraw/zinc/91/08/17/1204910817.db2.gz GNFZHWYSULZNIR-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087035076 1204911376 /nfs/dbraw/zinc/91/13/76/1204911376.db2.gz KQALJFABZNXXSZ-QLFBSQMISA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087035076 1204911379 /nfs/dbraw/zinc/91/13/79/1204911379.db2.gz KQALJFABZNXXSZ-QLFBSQMISA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087055388 1204935465 /nfs/dbraw/zinc/93/54/65/1204935465.db2.gz KDIZBIBSVUISRE-DTZQCDIJSA-N 2 1 364.494 0.406 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087055369 1204935719 /nfs/dbraw/zinc/93/57/19/1204935719.db2.gz JCNDXDPQRXSWMV-KLHDSHLOSA-N 2 1 364.494 0.108 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087061017 1204948172 /nfs/dbraw/zinc/94/81/72/1204948172.db2.gz JUBDFLLJOWEUBU-INMHGKMJSA-N 2 1 367.494 0.917 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083733 1204969934 /nfs/dbraw/zinc/96/99/34/1204969934.db2.gz QLYODIXLMGADRJ-GVDBMIGSSA-N 2 1 361.490 0.914 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083727 1204970143 /nfs/dbraw/zinc/97/01/43/1204970143.db2.gz QIQWDKDRYDWDQI-FVQBIDKESA-N 2 1 364.494 0.408 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083932 1204972544 /nfs/dbraw/zinc/97/25/44/1204972544.db2.gz YLNPCANBRKIOFT-BRWVUGGUSA-N 2 1 361.490 0.772 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087101128 1204997608 /nfs/dbraw/zinc/99/76/08/1204997608.db2.gz UXXOKVCBQNZXIA-RRFJBIMHSA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087101128 1204997626 /nfs/dbraw/zinc/99/76/26/1204997626.db2.gz UXXOKVCBQNZXIA-RRFJBIMHSA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087096536 1205004866 /nfs/dbraw/zinc/00/48/66/1205004866.db2.gz QVDIMXVYTZBJJO-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087096514 1205005065 /nfs/dbraw/zinc/00/50/65/1205005065.db2.gz QFJKTLWFLHYQSH-ARFHVFGLSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087096514 1205005068 /nfs/dbraw/zinc/00/50/68/1205005068.db2.gz QFJKTLWFLHYQSH-ARFHVFGLSA-N 2 1 365.478 0.673 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776970 1205024642 /nfs/dbraw/zinc/02/46/42/1205024642.db2.gz PUTMHZGHCPSDOV-APWZRJJASA-N 2 1 362.518 0.731 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001091857392 1205052910 /nfs/dbraw/zinc/05/29/10/1205052910.db2.gz GANSLHIVNHJACD-XLIONFOSSA-N 2 1 369.469 0.871 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001091857392 1205052913 /nfs/dbraw/zinc/05/29/13/1205052913.db2.gz GANSLHIVNHJACD-XLIONFOSSA-N 2 1 369.469 0.871 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959609 1205093486 /nfs/dbraw/zinc/09/34/86/1205093486.db2.gz CBPCZESCKZCSLK-OHNRDTAOSA-N 2 1 362.474 0.870 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092071359 1205134490 /nfs/dbraw/zinc/13/44/90/1205134490.db2.gz SMIUBINTKJTKDU-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CCn1cccn1)C2 ZINC001092099506 1205154947 /nfs/dbraw/zinc/15/49/47/1205154947.db2.gz VQUUDIGFKORALT-MJGOQNOKSA-N 2 1 361.490 0.386 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC001092099506 1205154948 /nfs/dbraw/zinc/15/49/48/1205154948.db2.gz VQUUDIGFKORALT-MJGOQNOKSA-N 2 1 361.490 0.386 20 0 FCADMP C[NH+](C)[C@@](C)(C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001092190911 1205188209 /nfs/dbraw/zinc/18/82/09/1205188209.db2.gz ZSUHARXCHIRQME-LSTHTHJFSA-N 2 1 358.486 0.729 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092204299 1205197047 /nfs/dbraw/zinc/19/70/47/1205197047.db2.gz XSHOPSFZTUXHEG-QRWLVFNGSA-N 2 1 371.485 0.774 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203640 1205197561 /nfs/dbraw/zinc/19/75/61/1205197561.db2.gz FNZBBYXERUVNTB-WTANOLMUSA-N 2 1 359.474 0.805 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273770 1205220968 /nfs/dbraw/zinc/22/09/68/1205220968.db2.gz RDIHZDPWCBBNIM-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273770 1205220969 /nfs/dbraw/zinc/22/09/69/1205220969.db2.gz RDIHZDPWCBBNIM-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273770 1205220974 /nfs/dbraw/zinc/22/09/74/1205220974.db2.gz RDIHZDPWCBBNIM-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP CC(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375331 1205276894 /nfs/dbraw/zinc/27/68/94/1205276894.db2.gz KJYQIVQYQFAUJF-BZUAXINKSA-N 2 1 361.490 0.830 20 0 FCADMP CC(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375331 1205276901 /nfs/dbraw/zinc/27/69/01/1205276901.db2.gz KJYQIVQYQFAUJF-BZUAXINKSA-N 2 1 361.490 0.830 20 0 FCADMP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611289 1205319976 /nfs/dbraw/zinc/31/99/76/1205319976.db2.gz PTEHCJVMVDUSKP-OIISXLGYSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611289 1205319978 /nfs/dbraw/zinc/31/99/78/1205319978.db2.gz PTEHCJVMVDUSKP-OIISXLGYSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611310 1205320051 /nfs/dbraw/zinc/32/00/51/1205320051.db2.gz RAPISNJKRGNKDR-KBAYOESNSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611480 1205324107 /nfs/dbraw/zinc/32/41/07/1205324107.db2.gz XTGVPZWUQYAEJL-QGPMSJSTSA-N 2 1 362.518 0.633 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516758 1224900065 /nfs/dbraw/zinc/90/00/65/1224900065.db2.gz BLTVLZHXXIZJCY-SJORKVTESA-N 2 1 367.494 0.036 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516758 1224900074 /nfs/dbraw/zinc/90/00/74/1224900074.db2.gz BLTVLZHXXIZJCY-SJORKVTESA-N 2 1 367.494 0.036 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220547736 1224921773 /nfs/dbraw/zinc/92/17/73/1224921773.db2.gz FAKSEVQHFIRMBN-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220547736 1224921787 /nfs/dbraw/zinc/92/17/87/1224921787.db2.gz FAKSEVQHFIRMBN-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133009 1206032313 /nfs/dbraw/zinc/03/23/13/1206032313.db2.gz KPJJETZBDDNCKQ-NVXWUHKLSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137210 1206033603 /nfs/dbraw/zinc/03/36/03/1206033603.db2.gz SRRRKCIFSWCZLF-HUUCEWRRSA-N 2 1 359.474 0.678 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137001 1206034292 /nfs/dbraw/zinc/03/42/92/1206034292.db2.gz IECHHPSYZAKMPY-QLFBSQMISA-N 2 1 361.490 0.922 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137390 1206034840 /nfs/dbraw/zinc/03/48/40/1206034840.db2.gz ZLNTVLJHFVNRLR-HUUCEWRRSA-N 2 1 357.462 0.737 20 0 FCADMP C[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194823 1206053171 /nfs/dbraw/zinc/05/31/71/1206053171.db2.gz CFYQLKAGXVLBHM-RBSFLKMASA-N 2 1 362.474 0.883 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194823 1206053176 /nfs/dbraw/zinc/05/31/76/1206053176.db2.gz CFYQLKAGXVLBHM-RBSFLKMASA-N 2 1 362.474 0.883 20 0 FCADMP C[C@@H]1C[NH+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194823 1206053183 /nfs/dbraw/zinc/05/31/83/1206053183.db2.gz CFYQLKAGXVLBHM-RBSFLKMASA-N 2 1 362.474 0.883 20 0 FCADMP C[C@@H]1C[NH+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194823 1206053187 /nfs/dbraw/zinc/05/31/87/1206053187.db2.gz CFYQLKAGXVLBHM-RBSFLKMASA-N 2 1 362.474 0.883 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1C ZINC001220553935 1224926060 /nfs/dbraw/zinc/92/60/60/1224926060.db2.gz ZBRKTJROABZJDL-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1C ZINC001220553935 1224926065 /nfs/dbraw/zinc/92/60/65/1224926065.db2.gz ZBRKTJROABZJDL-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093281836 1206072085 /nfs/dbraw/zinc/07/20/85/1206072085.db2.gz VAGKXZJNBYRHHO-NFAWXSAZSA-N 2 1 363.462 0.313 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001093291623 1206074110 /nfs/dbraw/zinc/07/41/10/1206074110.db2.gz LPKQAUMQOSLDQO-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)C1=O ZINC001093292527 1206074540 /nfs/dbraw/zinc/07/45/40/1206074540.db2.gz WCCWZZAPFAGCPW-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H](C)CN1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545591 1206091747 /nfs/dbraw/zinc/09/17/47/1206091747.db2.gz MADBUVRDVZPSDC-HDMKZQKVSA-N 2 1 369.506 0.432 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093821910 1206124154 /nfs/dbraw/zinc/12/41/54/1206124154.db2.gz IDMWOGFUKYAOKC-INMHGKMJSA-N 2 1 360.462 0.686 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857679 1206135835 /nfs/dbraw/zinc/13/58/35/1206135835.db2.gz RLIVIBRCPADRMI-MWQQHZPXSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857679 1206135838 /nfs/dbraw/zinc/13/58/38/1206135838.db2.gz RLIVIBRCPADRMI-MWQQHZPXSA-N 2 1 361.490 0.688 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)C1 ZINC001094041909 1206174216 /nfs/dbraw/zinc/17/42/16/1206174216.db2.gz IBVXOKYVRMKHTE-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001094080427 1206181043 /nfs/dbraw/zinc/18/10/43/1206181043.db2.gz FCVCQQCYKFIPLI-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094111124 1206185754 /nfs/dbraw/zinc/18/57/54/1206185754.db2.gz YFHFBVSXPLPOFG-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094166265 1206197744 /nfs/dbraw/zinc/19/77/44/1206197744.db2.gz STRUSEGRYUBUAN-QLFBSQMISA-N 2 1 361.494 0.534 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)C1 ZINC001094232098 1206208411 /nfs/dbraw/zinc/20/84/11/1206208411.db2.gz MKNMJKIXOHKEFT-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)C1 ZINC001094232098 1206208414 /nfs/dbraw/zinc/20/84/14/1206208414.db2.gz MKNMJKIXOHKEFT-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@]13CCC[C@H]1[N@H+](CC(N)=O)CC3)C2 ZINC001094509303 1206234771 /nfs/dbraw/zinc/23/47/71/1206234771.db2.gz FVQWHKHRBGKCBV-IDHHARJASA-N 2 1 359.474 0.600 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@]13CCC[C@H]1[N@@H+](CC(N)=O)CC3)C2 ZINC001094509303 1206234775 /nfs/dbraw/zinc/23/47/75/1206234775.db2.gz FVQWHKHRBGKCBV-IDHHARJASA-N 2 1 359.474 0.600 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117673 1206257753 /nfs/dbraw/zinc/25/77/53/1206257753.db2.gz RDGOYSSTLDCUKT-ZNNZTCFKSA-N 2 1 371.485 0.921 20 0 FCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117673 1206257754 /nfs/dbraw/zinc/25/77/54/1206257754.db2.gz RDGOYSSTLDCUKT-ZNNZTCFKSA-N 2 1 371.485 0.921 20 0 FCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117673 1206257756 /nfs/dbraw/zinc/25/77/56/1206257756.db2.gz RDGOYSSTLDCUKT-ZNNZTCFKSA-N 2 1 371.485 0.921 20 0 FCADMP CC[N@H+]1CC[C@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1 ZINC001173362352 1206269752 /nfs/dbraw/zinc/26/97/52/1206269752.db2.gz DZHXLMHLRPWBIX-FUHWJXTLSA-N 2 1 362.522 0.921 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220574629 1224940915 /nfs/dbraw/zinc/94/09/15/1224940915.db2.gz GUJYBEUPHKRPJO-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220574629 1224940920 /nfs/dbraw/zinc/94/09/20/1224940920.db2.gz GUJYBEUPHKRPJO-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP COC(=O)c1ccc(C[C@@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)cc1 ZINC001173713923 1206286945 /nfs/dbraw/zinc/28/69/45/1206286945.db2.gz HZRXYXRUPLRXKP-DOMZBBRYSA-N 2 1 364.446 0.799 20 0 FCADMP C[C@H](C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)[NH+]1CCCC1 ZINC001180576741 1206395751 /nfs/dbraw/zinc/39/57/51/1206395751.db2.gz ACJLKYOKNAPSRM-LTIDMASMSA-N 2 1 359.474 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220584850 1224950002 /nfs/dbraw/zinc/95/00/02/1224950002.db2.gz MHPBAENNBWKTQU-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220584850 1224950014 /nfs/dbraw/zinc/95/00/14/1224950014.db2.gz MHPBAENNBWKTQU-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496220 1206438128 /nfs/dbraw/zinc/43/81/28/1206438128.db2.gz ZVLVHDQSYJZCHT-LSDHHAIUSA-N 2 1 366.506 0.391 20 0 FCADMP C[NH+](C)C1(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CC1 ZINC001182597374 1206439340 /nfs/dbraw/zinc/43/93/40/1206439340.db2.gz PYHDDCDITVRJPB-UHFFFAOYSA-N 2 1 355.446 0.794 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001182692071 1206442400 /nfs/dbraw/zinc/44/24/00/1206442400.db2.gz AYWZIYDRNRQNRR-QLFBSQMISA-N 2 1 360.462 0.336 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)C1 ZINC001186370607 1206495852 /nfs/dbraw/zinc/49/58/52/1206495852.db2.gz YNVZQBSQPBWLNZ-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCCF)C3(C2)CCOCC3)O1 ZINC001186409759 1206496747 /nfs/dbraw/zinc/49/67/47/1206496747.db2.gz DAOHBUXDJUZXPX-IXDOHACOSA-N 2 1 371.497 0.910 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCCF)C3(C2)CCOCC3)O1 ZINC001186409759 1206496749 /nfs/dbraw/zinc/49/67/49/1206496749.db2.gz DAOHBUXDJUZXPX-IXDOHACOSA-N 2 1 371.497 0.910 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001220637502 1224978553 /nfs/dbraw/zinc/97/85/53/1224978553.db2.gz FTHBVGKEMOOPIU-MOPGFXCFSA-N 2 1 361.486 0.767 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001187945247 1207403588 /nfs/dbraw/zinc/40/35/88/1207403588.db2.gz UKMVBYQYRNUPNM-RCCFBDPRSA-N 2 1 360.502 0.387 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001187945247 1207403593 /nfs/dbraw/zinc/40/35/93/1207403593.db2.gz UKMVBYQYRNUPNM-RCCFBDPRSA-N 2 1 360.502 0.387 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944629 1207404192 /nfs/dbraw/zinc/40/41/92/1207404192.db2.gz LGMPFTSWKKQCOQ-OKZBNKHCSA-N 2 1 362.518 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944629 1207404198 /nfs/dbraw/zinc/40/41/98/1207404198.db2.gz LGMPFTSWKKQCOQ-OKZBNKHCSA-N 2 1 362.518 0.633 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001188561488 1207463256 /nfs/dbraw/zinc/46/32/56/1207463256.db2.gz IFTKWVKZRJKZDT-RCCFBDPRSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001188561488 1207463257 /nfs/dbraw/zinc/46/32/57/1207463257.db2.gz IFTKWVKZRJKZDT-RCCFBDPRSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001188562035 1207463271 /nfs/dbraw/zinc/46/32/71/1207463271.db2.gz MJBHPCDXUKUXRD-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001188562035 1207463273 /nfs/dbraw/zinc/46/32/73/1207463273.db2.gz MJBHPCDXUKUXRD-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035284 1207498022 /nfs/dbraw/zinc/49/80/22/1207498022.db2.gz ULJSIVJEZOUSRZ-GBESFXJTSA-N 2 1 367.534 0.894 20 0 FCADMP CN(Cc1ccco1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189061233 1207498522 /nfs/dbraw/zinc/49/85/22/1207498522.db2.gz BXUJJLKIMCBPLV-DOTOQJQBSA-N 2 1 362.474 0.722 20 0 FCADMP CN(Cc1ccco1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189061233 1207498525 /nfs/dbraw/zinc/49/85/25/1207498525.db2.gz BXUJJLKIMCBPLV-DOTOQJQBSA-N 2 1 362.474 0.722 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001189054340 1207498736 /nfs/dbraw/zinc/49/87/36/1207498736.db2.gz DOVRLOUMQPGKNZ-LSDHHAIUSA-N 2 1 363.510 0.455 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189811179 1207604057 /nfs/dbraw/zinc/60/40/57/1207604057.db2.gz VKEANMISRBUTMG-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820063 1207604553 /nfs/dbraw/zinc/60/45/53/1207604553.db2.gz MSFQRPOSWDCEMY-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820009 1207605087 /nfs/dbraw/zinc/60/50/87/1207605087.db2.gz KDKXTBGKGGNKHE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820009 1207605097 /nfs/dbraw/zinc/60/50/97/1207605097.db2.gz KDKXTBGKGGNKHE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871064 1207613960 /nfs/dbraw/zinc/61/39/60/1207613960.db2.gz KCZLSSAXOKODPI-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871064 1207613967 /nfs/dbraw/zinc/61/39/67/1207613967.db2.gz KCZLSSAXOKODPI-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148952 1207647643 /nfs/dbraw/zinc/64/76/43/1207647643.db2.gz NBXIZDMEJHTKJD-OKZBNKHCSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148952 1207647652 /nfs/dbraw/zinc/64/76/52/1207647652.db2.gz NBXIZDMEJHTKJD-OKZBNKHCSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148952 1207647664 /nfs/dbraw/zinc/64/76/64/1207647664.db2.gz NBXIZDMEJHTKJD-OKZBNKHCSA-N 2 1 360.506 0.933 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157219 1207654502 /nfs/dbraw/zinc/65/45/02/1207654502.db2.gz BUIDPVJCLBPSLH-OKZBNKHCSA-N 2 1 371.485 0.182 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157219 1207654509 /nfs/dbraw/zinc/65/45/09/1207654509.db2.gz BUIDPVJCLBPSLH-OKZBNKHCSA-N 2 1 371.485 0.182 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157219 1207654518 /nfs/dbraw/zinc/65/45/18/1207654518.db2.gz BUIDPVJCLBPSLH-OKZBNKHCSA-N 2 1 371.485 0.182 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157219 1207654526 /nfs/dbraw/zinc/65/45/26/1207654526.db2.gz BUIDPVJCLBPSLH-OKZBNKHCSA-N 2 1 371.485 0.182 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157219 1207654537 /nfs/dbraw/zinc/65/45/37/1207654537.db2.gz BUIDPVJCLBPSLH-OKZBNKHCSA-N 2 1 371.485 0.182 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001190238039 1207667016 /nfs/dbraw/zinc/66/70/16/1207667016.db2.gz IELXTUJULJKLBZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001190238039 1207667020 /nfs/dbraw/zinc/66/70/20/1207667020.db2.gz IELXTUJULJKLBZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001190238039 1207667025 /nfs/dbraw/zinc/66/70/25/1207667025.db2.gz IELXTUJULJKLBZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001190238039 1207667030 /nfs/dbraw/zinc/66/70/30/1207667030.db2.gz IELXTUJULJKLBZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901621 1207731591 /nfs/dbraw/zinc/73/15/91/1207731591.db2.gz ZNCWYSKUUUOODR-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901621 1207731599 /nfs/dbraw/zinc/73/15/99/1207731599.db2.gz ZNCWYSKUUUOODR-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901621 1207731604 /nfs/dbraw/zinc/73/16/04/1207731604.db2.gz ZNCWYSKUUUOODR-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901621 1207731614 /nfs/dbraw/zinc/73/16/14/1207731614.db2.gz ZNCWYSKUUUOODR-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688241 1225016327 /nfs/dbraw/zinc/01/63/27/1225016327.db2.gz BBFJGUPEUDDTDL-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688241 1225016328 /nfs/dbraw/zinc/01/63/28/1225016328.db2.gz BBFJGUPEUDDTDL-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688241 1225016331 /nfs/dbraw/zinc/01/63/31/1225016331.db2.gz BBFJGUPEUDDTDL-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014971 1207816139 /nfs/dbraw/zinc/81/61/39/1207816139.db2.gz ZIYMOOUVWNBMIR-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O ZINC001193755358 1207890275 /nfs/dbraw/zinc/89/02/75/1207890275.db2.gz JKSMDUBZZCIUSJ-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O ZINC001193755358 1207890276 /nfs/dbraw/zinc/89/02/76/1207890276.db2.gz JKSMDUBZZCIUSJ-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805013 1207891616 /nfs/dbraw/zinc/89/16/16/1207891616.db2.gz IBQDLOTXAFDJRB-KZNAEPCWSA-N 2 1 365.449 0.505 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805013 1207891619 /nfs/dbraw/zinc/89/16/19/1207891619.db2.gz IBQDLOTXAFDJRB-KZNAEPCWSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805013 1207891621 /nfs/dbraw/zinc/89/16/21/1207891621.db2.gz IBQDLOTXAFDJRB-KZNAEPCWSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805013 1207891622 /nfs/dbraw/zinc/89/16/22/1207891622.db2.gz IBQDLOTXAFDJRB-KZNAEPCWSA-N 2 1 365.449 0.505 20 0 FCADMP CC[N@@H+](C)CC(=O)N1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001273665656 1207893243 /nfs/dbraw/zinc/89/32/43/1207893243.db2.gz ARHSTUKVLISHDO-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666112 1207894046 /nfs/dbraw/zinc/89/40/46/1207894046.db2.gz GSDJNCJGDCEPJN-MRXNPFEDSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001194102974 1207918645 /nfs/dbraw/zinc/91/86/45/1207918645.db2.gz QZYWCEGVWXSNEX-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195676532 1208032368 /nfs/dbraw/zinc/03/23/68/1208032368.db2.gz FXMYUAQSFLQCQJ-IXDOHACOSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195676532 1208032369 /nfs/dbraw/zinc/03/23/69/1208032369.db2.gz FXMYUAQSFLQCQJ-IXDOHACOSA-N 2 1 365.449 0.362 20 0 FCADMP CCOc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871647 1208044874 /nfs/dbraw/zinc/04/48/74/1208044874.db2.gz RGYIJNVSLWAUFY-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CCOc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871647 1208044876 /nfs/dbraw/zinc/04/48/76/1208044876.db2.gz RGYIJNVSLWAUFY-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196132430 1208057157 /nfs/dbraw/zinc/05/71/57/1208057157.db2.gz RNCBUBBBHHANHV-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196132430 1208057159 /nfs/dbraw/zinc/05/71/59/1208057159.db2.gz RNCBUBBBHHANHV-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O)[NH+](C)C ZINC001196208009 1208065937 /nfs/dbraw/zinc/06/59/37/1208065937.db2.gz XBOARFHXAMHRQB-IXDOHACOSA-N 2 1 362.474 0.048 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O)[NH+](C)C ZINC001196208009 1208065940 /nfs/dbraw/zinc/06/59/40/1208065940.db2.gz XBOARFHXAMHRQB-IXDOHACOSA-N 2 1 362.474 0.048 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196222386 1208067361 /nfs/dbraw/zinc/06/73/61/1208067361.db2.gz MPEMRTZBFBJYPM-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196222386 1208067363 /nfs/dbraw/zinc/06/73/63/1208067363.db2.gz MPEMRTZBFBJYPM-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001196939513 1208123849 /nfs/dbraw/zinc/12/38/49/1208123849.db2.gz KILCCUNNHSIYPI-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001196939513 1208123853 /nfs/dbraw/zinc/12/38/53/1208123853.db2.gz KILCCUNNHSIYPI-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001197058696 1208132178 /nfs/dbraw/zinc/13/21/78/1208132178.db2.gz XBLVBQNKCRPLPV-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001197058696 1208132182 /nfs/dbraw/zinc/13/21/82/1208132182.db2.gz XBLVBQNKCRPLPV-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)C(C)C ZINC001197018468 1208132727 /nfs/dbraw/zinc/13/27/27/1208132727.db2.gz ULUKZPPKNKSATL-NUJGCVRESA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)C(C)C ZINC001197018468 1208132730 /nfs/dbraw/zinc/13/27/30/1208132730.db2.gz ULUKZPPKNKSATL-NUJGCVRESA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197528097 1208170328 /nfs/dbraw/zinc/17/03/28/1208170328.db2.gz HUBNGPKWSMIKTB-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197528097 1208170333 /nfs/dbraw/zinc/17/03/33/1208170333.db2.gz HUBNGPKWSMIKTB-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197528097 1208170336 /nfs/dbraw/zinc/17/03/36/1208170336.db2.gz HUBNGPKWSMIKTB-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197528097 1208170343 /nfs/dbraw/zinc/17/03/43/1208170343.db2.gz HUBNGPKWSMIKTB-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197528097 1208170346 /nfs/dbraw/zinc/17/03/46/1208170346.db2.gz HUBNGPKWSMIKTB-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493470 1208172038 /nfs/dbraw/zinc/17/20/38/1208172038.db2.gz OTZVLDLIAXLWCC-BRWVUGGUSA-N 2 1 370.538 0.523 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493470 1208172040 /nfs/dbraw/zinc/17/20/40/1208172040.db2.gz OTZVLDLIAXLWCC-BRWVUGGUSA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493470 1208172044 /nfs/dbraw/zinc/17/20/44/1208172044.db2.gz OTZVLDLIAXLWCC-BRWVUGGUSA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493470 1208172047 /nfs/dbraw/zinc/17/20/47/1208172047.db2.gz OTZVLDLIAXLWCC-BRWVUGGUSA-N 2 1 370.538 0.523 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001197949384 1208208403 /nfs/dbraw/zinc/20/84/03/1208208403.db2.gz RAMJDVMARNFYQZ-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001198150977 1208224357 /nfs/dbraw/zinc/22/43/57/1208224357.db2.gz LDHACTIIJHBAGK-QGZVFWFLSA-N 2 1 373.501 0.770 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663136 1208280817 /nfs/dbraw/zinc/28/08/17/1208280817.db2.gz XYNMFDVCJPKBIE-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663136 1208280818 /nfs/dbraw/zinc/28/08/18/1208280818.db2.gz XYNMFDVCJPKBIE-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663136 1208280821 /nfs/dbraw/zinc/28/08/21/1208280821.db2.gz XYNMFDVCJPKBIE-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023951 1208310459 /nfs/dbraw/zinc/31/04/59/1208310459.db2.gz VVLJOBWGTLJPDL-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023951 1208310460 /nfs/dbraw/zinc/31/04/60/1208310460.db2.gz VVLJOBWGTLJPDL-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095037 1208317236 /nfs/dbraw/zinc/31/72/36/1208317236.db2.gz CUMNMDHXUKLAGE-GVDBMIGSSA-N 2 1 368.522 0.135 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCC1 ZINC001199127372 1208319926 /nfs/dbraw/zinc/31/99/26/1208319926.db2.gz AHOCWCDWSLWOAX-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCC1 ZINC001199127372 1208319927 /nfs/dbraw/zinc/31/99/27/1208319927.db2.gz AHOCWCDWSLWOAX-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199111971 1208322218 /nfs/dbraw/zinc/32/22/18/1208322218.db2.gz UVEWXKHYXNLXRS-CEXWTWQISA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199111971 1208322219 /nfs/dbraw/zinc/32/22/19/1208322219.db2.gz UVEWXKHYXNLXRS-CEXWTWQISA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001199111971 1208322221 /nfs/dbraw/zinc/32/22/21/1208322221.db2.gz UVEWXKHYXNLXRS-CEXWTWQISA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001199111971 1208322222 /nfs/dbraw/zinc/32/22/22/1208322222.db2.gz UVEWXKHYXNLXRS-CEXWTWQISA-N 2 1 363.502 0.784 20 0 FCADMP C[C@@H](NC(=O)C(F)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000867306500 1208329107 /nfs/dbraw/zinc/32/91/07/1208329107.db2.gz MPIAKMFRCYPBBT-ZIAGYGMSSA-N 2 1 366.481 0.858 20 0 FCADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199369975 1208343455 /nfs/dbraw/zinc/34/34/55/1208343455.db2.gz FWVRMJMOVQTOJG-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199369975 1208343457 /nfs/dbraw/zinc/34/34/57/1208343457.db2.gz FWVRMJMOVQTOJG-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369976 1208343586 /nfs/dbraw/zinc/34/35/86/1208343586.db2.gz FYLXILGZEZEELV-QZTJIDSGSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369976 1208343591 /nfs/dbraw/zinc/34/35/91/1208343591.db2.gz FYLXILGZEZEELV-QZTJIDSGSA-N 2 1 363.506 0.656 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199398933 1208348929 /nfs/dbraw/zinc/34/89/29/1208348929.db2.gz ZPZGUXPHCPMUAC-BRWVUGGUSA-N 2 1 366.462 0.020 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1O ZINC001220764131 1225060440 /nfs/dbraw/zinc/06/04/40/1225060440.db2.gz AHHDMSIBQBSEDD-QRVBRYPASA-N 2 1 361.486 0.804 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768206 1225062351 /nfs/dbraw/zinc/06/23/51/1225062351.db2.gz AEOYAPZVNQFHFY-MSOLQXFVSA-N 2 1 365.474 0.073 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768206 1225062361 /nfs/dbraw/zinc/06/23/61/1225062361.db2.gz AEOYAPZVNQFHFY-MSOLQXFVSA-N 2 1 365.474 0.073 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273834291 1208409306 /nfs/dbraw/zinc/40/93/06/1208409306.db2.gz CMYWYXXZDOVPCX-IRXDYDNUSA-N 2 1 360.502 0.483 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCOC)C1 ZINC001691701247 1208417784 /nfs/dbraw/zinc/41/77/84/1208417784.db2.gz NLKZBAKDNGLCJC-KSZLIROESA-N 2 1 363.506 0.825 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cn[nH]c4)C[C@H]32)CC1 ZINC001273849316 1208432800 /nfs/dbraw/zinc/43/28/00/1208432800.db2.gz ZMHDHOBBCLSQOR-ZWKOTPCHSA-N 2 1 360.506 0.468 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CCC3)CC2)O1 ZINC001201230420 1208449289 /nfs/dbraw/zinc/44/92/89/1208449289.db2.gz PXEQAAMVXMHSQS-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CCC3)CC2)O1 ZINC001201230420 1208449292 /nfs/dbraw/zinc/44/92/92/1208449292.db2.gz PXEQAAMVXMHSQS-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201239328 1208450048 /nfs/dbraw/zinc/45/00/48/1208450048.db2.gz JEUUCGXUQNMSNU-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201239328 1208450050 /nfs/dbraw/zinc/45/00/50/1208450050.db2.gz JEUUCGXUQNMSNU-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576443 1208481762 /nfs/dbraw/zinc/48/17/62/1208481762.db2.gz IUOMVXCXYMIDHR-HHARLNAUSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576443 1208481765 /nfs/dbraw/zinc/48/17/65/1208481765.db2.gz IUOMVXCXYMIDHR-HHARLNAUSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576443 1208481770 /nfs/dbraw/zinc/48/17/70/1208481770.db2.gz IUOMVXCXYMIDHR-HHARLNAUSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576443 1208481776 /nfs/dbraw/zinc/48/17/76/1208481776.db2.gz IUOMVXCXYMIDHR-HHARLNAUSA-N 2 1 365.522 0.756 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001488982347 1208599049 /nfs/dbraw/zinc/59/90/49/1208599049.db2.gz RRNLAUOPJAWYFS-DLBZAZTESA-N 2 1 360.462 0.282 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817089 1225086993 /nfs/dbraw/zinc/08/69/93/1225086993.db2.gz NGDDTKVWYSWPBA-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817089 1225087002 /nfs/dbraw/zinc/08/70/02/1225087002.db2.gz NGDDTKVWYSWPBA-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817089 1225087013 /nfs/dbraw/zinc/08/70/13/1225087013.db2.gz NGDDTKVWYSWPBA-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817089 1225087022 /nfs/dbraw/zinc/08/70/22/1225087022.db2.gz NGDDTKVWYSWPBA-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489399596 1208832054 /nfs/dbraw/zinc/83/20/54/1208832054.db2.gz VNJWLGUXPRVLPU-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1O ZINC001489399596 1208832055 /nfs/dbraw/zinc/83/20/55/1208832055.db2.gz VNJWLGUXPRVLPU-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1O ZINC001489399596 1208832057 /nfs/dbraw/zinc/83/20/57/1208832057.db2.gz VNJWLGUXPRVLPU-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829144 1225094052 /nfs/dbraw/zinc/09/40/52/1225094052.db2.gz KRTZUZJXDCYPIF-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829144 1225094057 /nfs/dbraw/zinc/09/40/57/1225094057.db2.gz KRTZUZJXDCYPIF-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829144 1225094067 /nfs/dbraw/zinc/09/40/67/1225094067.db2.gz KRTZUZJXDCYPIF-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829144 1225094076 /nfs/dbraw/zinc/09/40/76/1225094076.db2.gz KRTZUZJXDCYPIF-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP O=C(CC1(c2ccccc2F)CC[NH2+]CC1)NCCN1CC[NH2+]CC1=O ZINC001220874368 1225119018 /nfs/dbraw/zinc/11/90/18/1225119018.db2.gz HCRAEZSVZJTAAM-UHFFFAOYSA-N 2 1 362.449 0.385 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC001490044921 1209225418 /nfs/dbraw/zinc/22/54/18/1209225418.db2.gz YAYFKHZHLQPVBF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001490044921 1209225419 /nfs/dbraw/zinc/22/54/19/1209225419.db2.gz YAYFKHZHLQPVBF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC001490044921 1209225421 /nfs/dbraw/zinc/22/54/21/1209225421.db2.gz YAYFKHZHLQPVBF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110616943 1209418710 /nfs/dbraw/zinc/41/87/10/1209418710.db2.gz WPEUYKIOAIMEAB-VQHPVUNQSA-N 2 1 368.497 0.914 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110616943 1209418712 /nfs/dbraw/zinc/41/87/12/1209418712.db2.gz WPEUYKIOAIMEAB-VQHPVUNQSA-N 2 1 368.497 0.914 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001110671130 1209598086 /nfs/dbraw/zinc/59/80/86/1209598086.db2.gz UIRCETNDALVWRY-OAGGEKHMSA-N 2 1 362.474 0.341 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001110671130 1209598091 /nfs/dbraw/zinc/59/80/91/1209598091.db2.gz UIRCETNDALVWRY-OAGGEKHMSA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001110671130 1209598097 /nfs/dbraw/zinc/59/80/97/1209598097.db2.gz UIRCETNDALVWRY-OAGGEKHMSA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001110671130 1209598103 /nfs/dbraw/zinc/59/81/03/1209598103.db2.gz UIRCETNDALVWRY-OAGGEKHMSA-N 2 1 362.474 0.341 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853683406 1209603230 /nfs/dbraw/zinc/60/32/30/1209603230.db2.gz SDJBXRGUMMPMMU-OKZBNKHCSA-N 2 1 366.506 0.746 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857100901 1209741410 /nfs/dbraw/zinc/74/14/10/1209741410.db2.gz OQTHUGATLGUSGB-BEFAXECRSA-N 2 1 368.441 0.532 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718060 1209742425 /nfs/dbraw/zinc/74/24/25/1209742425.db2.gz WVYDZBQGXPYNAO-TWMKSMIVSA-N 2 1 369.506 0.074 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)c1cc[nH+]cc1 ZINC001110740794 1209777866 /nfs/dbraw/zinc/77/78/66/1209777866.db2.gz DVFWBBWCSYLBBF-KURKYZTESA-N 2 1 371.485 0.862 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)c1cc[nH+]cc1 ZINC001110740794 1209777873 /nfs/dbraw/zinc/77/78/73/1209777873.db2.gz DVFWBBWCSYLBBF-KURKYZTESA-N 2 1 371.485 0.862 20 0 FCADMP COc1ccnc(C2(CNC(=O)C[NH2+]C3CC[NH2+]CC3)CCOCC2)c1 ZINC001220990185 1225176490 /nfs/dbraw/zinc/17/64/90/1225176490.db2.gz BSXINZMWCBLOAF-UHFFFAOYSA-N 2 1 362.474 0.596 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(F)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864962364 1209968736 /nfs/dbraw/zinc/96/87/36/1209968736.db2.gz LDNHIDPRDWZKOG-KBPBESRZSA-N 2 1 366.481 0.526 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(F)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000866044240 1209989972 /nfs/dbraw/zinc/98/99/72/1209989972.db2.gz PCXOQWGFQWGGNC-WCVJEAGWSA-N 2 1 370.513 0.922 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(F)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000866193165 1209993577 /nfs/dbraw/zinc/99/35/77/1209993577.db2.gz LDOGCYCLVNLKOZ-HOTGVXAUSA-N 2 1 370.513 0.925 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868228849 1210045468 /nfs/dbraw/zinc/04/54/68/1210045468.db2.gz IJCZFAJRMRKDFR-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868304312 1210050783 /nfs/dbraw/zinc/05/07/83/1210050783.db2.gz GRKVSIIPMYYYGV-DZKIICNBSA-N 2 1 360.458 0.872 20 0 FCADMP C[N@@H+]1CC[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@@H]21 ZINC000868695441 1210071912 /nfs/dbraw/zinc/07/19/12/1210071912.db2.gz QHLGXSLEDHGCHX-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@@H]21 ZINC000868695441 1210071916 /nfs/dbraw/zinc/07/19/16/1210071916.db2.gz QHLGXSLEDHGCHX-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP CC[NH+](CC(=O)N1CCO[C@@H](CNC(=O)C[N@H+](CC)C2CC2)C1)C1CC1 ZINC000871460751 1210156581 /nfs/dbraw/zinc/15/65/81/1210156581.db2.gz CQIDVCITLYJLEP-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC(=O)NC[C@H]1CN(C(=O)C[N@H+](CC)C2CC2)CCO1)C1CC1 ZINC000871460751 1210156584 /nfs/dbraw/zinc/15/65/84/1210156584.db2.gz CQIDVCITLYJLEP-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CCO1)C1CC1 ZINC000871460751 1210156591 /nfs/dbraw/zinc/15/65/91/1210156591.db2.gz CQIDVCITLYJLEP-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872306075 1210189485 /nfs/dbraw/zinc/18/94/85/1210189485.db2.gz WBHIIIBKRFGAKM-BARDWOONSA-N 2 1 361.446 0.790 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872306078 1210189592 /nfs/dbraw/zinc/18/95/92/1210189592.db2.gz WBHIIIBKRFGAKM-YJNKXOJESA-N 2 1 361.446 0.790 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872306077 1210189806 /nfs/dbraw/zinc/18/98/06/1210189806.db2.gz WBHIIIBKRFGAKM-XQLPTFJDSA-N 2 1 361.446 0.790 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000875182595 1210348310 /nfs/dbraw/zinc/34/83/10/1210348310.db2.gz SOWFLMUZZMONIF-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221081638 1225213880 /nfs/dbraw/zinc/21/38/80/1225213880.db2.gz QZFZFXWPFBYRSX-QRVBRYPASA-N 2 1 367.534 0.965 20 0 FCADMP C[NH+]1CCN(C2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)CC1 ZINC000879592718 1210491115 /nfs/dbraw/zinc/49/11/15/1210491115.db2.gz OETMSQSHTCKPKY-UHFFFAOYSA-N 2 1 363.506 0.563 20 0 FCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880297354 1210525147 /nfs/dbraw/zinc/52/51/47/1210525147.db2.gz MCJOCCLKJINUKY-CYBMUJFWSA-N 2 1 361.425 0.303 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](C/C=C/C[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311984 1210527721 /nfs/dbraw/zinc/52/77/21/1210527721.db2.gz QTUAFAPQPBNLLD-VBPDQNBMSA-N 2 1 360.502 0.363 20 0 FCADMP CC[NH+]1CCC(NC(=O)Cn2cc(CCC[NH+]3CCOCC3)nn2)CC1 ZINC000881090127 1210569219 /nfs/dbraw/zinc/56/92/19/1210569219.db2.gz BWPTWBSTESBMHS-UHFFFAOYSA-N 2 1 364.494 0.143 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)C1 ZINC001221115860 1225228100 /nfs/dbraw/zinc/22/81/00/1225228100.db2.gz ARCCQLCNDUANMF-MRXNPFEDSA-N 2 1 359.518 0.891 20 0 FCADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC000883112886 1210653931 /nfs/dbraw/zinc/65/39/31/1210653931.db2.gz BONCSJAQEYLGTC-INIZCTEOSA-N 2 1 374.489 0.466 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000883441659 1210667335 /nfs/dbraw/zinc/66/73/35/1210667335.db2.gz UXWZSCJRBWEUGL-FUHWJXTLSA-N 2 1 368.522 0.897 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604240 1210673752 /nfs/dbraw/zinc/67/37/52/1210673752.db2.gz QWKLBDYPFSEUEU-CRAIPNDOSA-N 2 1 371.485 0.859 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883604098 1210673773 /nfs/dbraw/zinc/67/37/73/1210673773.db2.gz MMLIZZRQDWCGQZ-QGZVFWFLSA-N 2 1 359.474 0.635 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883607428 1210674255 /nfs/dbraw/zinc/67/42/55/1210674255.db2.gz UWYMFYQYTZXOHX-ZWKOTPCHSA-N 2 1 371.485 0.763 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000883646436 1210678905 /nfs/dbraw/zinc/67/89/05/1210678905.db2.gz RFPMOPSMNOKGFZ-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC[N@@H+]1CC(C)(C)O ZINC000883659773 1210682574 /nfs/dbraw/zinc/68/25/74/1210682574.db2.gz SKYSLSNIHKDIJM-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC[N@H+]1CC(C)(C)O ZINC000883659773 1210682577 /nfs/dbraw/zinc/68/25/77/1210682577.db2.gz SKYSLSNIHKDIJM-HNNXBMFYSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000884186034 1210721299 /nfs/dbraw/zinc/72/12/99/1210721299.db2.gz OKFVMXUJECZTLA-KRWDZBQOSA-N 2 1 358.486 0.936 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000884207818 1210723616 /nfs/dbraw/zinc/72/36/16/1210723616.db2.gz HCADIEKORZEZEY-MRXNPFEDSA-N 2 1 362.474 0.602 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CCOC)cc2)CC1 ZINC000884230823 1210724817 /nfs/dbraw/zinc/72/48/17/1210724817.db2.gz AVWINZNHRRZLOL-KRWDZBQOSA-N 2 1 362.474 0.696 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000884227437 1210725255 /nfs/dbraw/zinc/72/52/55/1210725255.db2.gz PTJXEOOGIDMUCZ-MRXNPFEDSA-N 2 1 359.474 0.286 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000884486386 1210737506 /nfs/dbraw/zinc/73/75/06/1210737506.db2.gz VSOWPFGBVXSAEW-RHSMWYFYSA-N 2 1 362.474 0.625 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000884486565 1210737884 /nfs/dbraw/zinc/73/78/84/1210737884.db2.gz ZUPKCMGPERHGAK-WMLDXEAASA-N 2 1 362.474 0.625 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884516538 1210742905 /nfs/dbraw/zinc/74/29/05/1210742905.db2.gz MYBXBXDJCJZSQR-INIZCTEOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572792 1210754051 /nfs/dbraw/zinc/75/40/51/1210754051.db2.gz VYTDUXCDFWPSBV-CYGHRXIMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572794 1210754511 /nfs/dbraw/zinc/75/45/11/1210754511.db2.gz VYTDUXCDFWPSBV-UOVPBQLFSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884577325 1210755173 /nfs/dbraw/zinc/75/51/73/1210755173.db2.gz CJFNPLLLAOCSJD-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577151 1210755295 /nfs/dbraw/zinc/75/52/95/1210755295.db2.gz YPFZELMUCIIFAZ-HOTGVXAUSA-N 2 1 366.506 0.109 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884603116 1210759590 /nfs/dbraw/zinc/75/95/90/1210759590.db2.gz BYOSYGBJNJGIHX-DNVCBOLYSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884604951 1210760942 /nfs/dbraw/zinc/76/09/42/1210760942.db2.gz RXVFIAXLAZBIFM-XGXHKWSGSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608927 1210762078 /nfs/dbraw/zinc/76/20/78/1210762078.db2.gz ZMEQKLPYBSZKTP-WRWLIDTKSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616984 1210763400 /nfs/dbraw/zinc/76/34/00/1210763400.db2.gz FULRSSNUCJSOGK-HZPDHXFCSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000884623357 1210764937 /nfs/dbraw/zinc/76/49/37/1210764937.db2.gz ANUUQTSZSOTSDH-KDOFPFPSSA-N 2 1 356.470 0.584 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884646285 1210771974 /nfs/dbraw/zinc/77/19/74/1210771974.db2.gz NXNHRXUJJOFZNN-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884674168 1210776547 /nfs/dbraw/zinc/77/65/47/1210776547.db2.gz PDQXARBYPLUUIY-BBTUJRGHSA-N 2 1 370.497 0.835 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000884675770 1210776744 /nfs/dbraw/zinc/77/67/44/1210776744.db2.gz PJQOJTKRUXLPGF-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000884675770 1210776747 /nfs/dbraw/zinc/77/67/47/1210776747.db2.gz PJQOJTKRUXLPGF-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000884675771 1210777098 /nfs/dbraw/zinc/77/70/98/1210777098.db2.gz PJQOJTKRUXLPGF-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000884675771 1210777104 /nfs/dbraw/zinc/77/71/04/1210777104.db2.gz PJQOJTKRUXLPGF-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884674864 1210777464 /nfs/dbraw/zinc/77/74/64/1210777464.db2.gz KETXAVLWMYPQID-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681418 1210779556 /nfs/dbraw/zinc/77/95/56/1210779556.db2.gz VEARINICASBDEZ-NEWSRXKRSA-N 2 1 372.513 0.987 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000884716756 1210786567 /nfs/dbraw/zinc/78/65/67/1210786567.db2.gz ICFRUBFVSPXOEW-OGWHTMIXSA-N 2 1 372.513 0.985 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000884720723 1210788732 /nfs/dbraw/zinc/78/87/32/1210788732.db2.gz TUWBYYADBAYKCJ-NJAFHUGGSA-N 2 1 358.486 0.800 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221151191 1225241119 /nfs/dbraw/zinc/24/11/19/1225241119.db2.gz DBXJYYWSQQUFBS-UHFFFAOYSA-N 2 1 359.474 0.946 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789849 1210795612 /nfs/dbraw/zinc/79/56/12/1210795612.db2.gz DOSPPGFLKFMTRE-BQSYYEAHSA-N 2 1 370.497 0.739 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000884819637 1210798606 /nfs/dbraw/zinc/79/86/06/1210798606.db2.gz HULVSQOGDWDURR-SZMVWBNQSA-N 2 1 358.486 0.942 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832837 1210799544 /nfs/dbraw/zinc/79/95/44/1210799544.db2.gz AWKYQRYPKNKFKL-RYRKJORJSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834296 1210800248 /nfs/dbraw/zinc/80/02/48/1210800248.db2.gz UYVWNNSPMWMYNR-LULLPPNCSA-N 2 1 370.497 0.549 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000884834953 1210800309 /nfs/dbraw/zinc/80/03/09/1210800309.db2.gz HSPQRUADRXYANO-NJAFHUGGSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833224 1210800328 /nfs/dbraw/zinc/80/03/28/1210800328.db2.gz IOARDAXRRKRMJV-UBDQQSCGSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834480 1210800368 /nfs/dbraw/zinc/80/03/68/1210800368.db2.gz XCKUJOULTQMWAL-OWYHZJEWSA-N 2 1 370.497 0.834 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884834970 1210800518 /nfs/dbraw/zinc/80/05/18/1210800518.db2.gz ICDQRBVZHFFLKF-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)c1 ZINC000884970001 1210805822 /nfs/dbraw/zinc/80/58/22/1210805822.db2.gz BSYNZSJFYOGEFR-INIZCTEOSA-N 2 1 373.501 0.933 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983552 1210806981 /nfs/dbraw/zinc/80/69/81/1210806981.db2.gz LRGSHBWWWJYYFR-ZWKOTPCHSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983552 1210806983 /nfs/dbraw/zinc/80/69/83/1210806983.db2.gz LRGSHBWWWJYYFR-ZWKOTPCHSA-N 2 1 374.485 0.132 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000884984366 1210807407 /nfs/dbraw/zinc/80/74/07/1210807407.db2.gz XLRNBCGDNSAAJJ-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000884984366 1210807408 /nfs/dbraw/zinc/80/74/08/1210807408.db2.gz XLRNBCGDNSAAJJ-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)c1 ZINC000885018772 1210808892 /nfs/dbraw/zinc/80/88/92/1210808892.db2.gz SJZGOEOYPFPEAJ-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)c1 ZINC000885018772 1210808896 /nfs/dbraw/zinc/80/88/96/1210808896.db2.gz SJZGOEOYPFPEAJ-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000885152724 1210812881 /nfs/dbraw/zinc/81/28/81/1210812881.db2.gz VJVGMFOFSZHODT-KRWDZBQOSA-N 2 1 358.486 0.760 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885152757 1210813018 /nfs/dbraw/zinc/81/30/18/1210813018.db2.gz VXVZXUNGSYAGCH-SQNIBIBYSA-N 2 1 356.470 0.370 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156599 1210813645 /nfs/dbraw/zinc/81/36/45/1210813645.db2.gz YQMALQWDMZCQNN-MAUKXSAKSA-N 2 1 358.486 0.617 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000885162290 1210814042 /nfs/dbraw/zinc/81/40/42/1210814042.db2.gz KGPKPMJYEBYFAH-WMZOPIPTSA-N 2 1 356.470 0.512 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000885869173 1210821132 /nfs/dbraw/zinc/82/11/32/1210821132.db2.gz PRDAWRYODXMRBG-TZIWHRDSSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869173 1210821133 /nfs/dbraw/zinc/82/11/33/1210821133.db2.gz PRDAWRYODXMRBG-TZIWHRDSSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869173 1210821134 /nfs/dbraw/zinc/82/11/34/1210821134.db2.gz PRDAWRYODXMRBG-TZIWHRDSSA-N 2 1 373.497 0.993 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872187 1210838842 /nfs/dbraw/zinc/83/88/42/1210838842.db2.gz LSBIXSYDYHNXMM-UYAOXDASSA-N 2 1 366.550 0.925 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066275 1210844843 /nfs/dbraw/zinc/84/48/43/1210844843.db2.gz IHJNXUHUOVFSBY-GOSISDBHSA-N 2 1 358.486 0.584 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887068526 1210845564 /nfs/dbraw/zinc/84/55/64/1210845564.db2.gz NNNLEGLYCRRJDM-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887068526 1210845565 /nfs/dbraw/zinc/84/55/65/1210845565.db2.gz NNNLEGLYCRRJDM-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887070909 1210846092 /nfs/dbraw/zinc/84/60/92/1210846092.db2.gz VYZDENCUPCMHKI-MOPGFXCFSA-N 2 1 372.513 0.972 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887074351 1210846097 /nfs/dbraw/zinc/84/60/97/1210846097.db2.gz UUBSXOKZDAGXPJ-ZWKOTPCHSA-N 2 1 358.486 0.774 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887448899 1210858347 /nfs/dbraw/zinc/85/83/47/1210858347.db2.gz JEBLXPLAZYVJLE-PKOBYXMFSA-N 2 1 358.490 0.694 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083337 1210875697 /nfs/dbraw/zinc/87/56/97/1210875697.db2.gz DPWGNKBZAPTKTR-DOTOQJQBSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001274400439 1211044976 /nfs/dbraw/zinc/04/49/76/1211044976.db2.gz IDWBCYMOUTUMQR-DLBZAZTESA-N 2 1 360.502 0.767 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)C[C@]3(CCC[N@@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123895 1211176673 /nfs/dbraw/zinc/17/66/73/1211176673.db2.gz STKCCQXGMUFOPD-FQEVSTJZSA-N 2 1 362.518 0.875 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)C[C@]3(CCC[N@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123895 1211176676 /nfs/dbraw/zinc/17/66/76/1211176676.db2.gz STKCCQXGMUFOPD-FQEVSTJZSA-N 2 1 362.518 0.875 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)C[C@]3(CCC[N@@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123895 1211176679 /nfs/dbraw/zinc/17/66/79/1211176679.db2.gz STKCCQXGMUFOPD-FQEVSTJZSA-N 2 1 362.518 0.875 20 0 FCADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1)C2 ZINC001275154764 1211183171 /nfs/dbraw/zinc/18/31/71/1211183171.db2.gz LJHRKXMUQHNRKC-SFHVURJKSA-N 2 1 360.502 0.328 20 0 FCADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1)C2 ZINC001275154764 1211183175 /nfs/dbraw/zinc/18/31/75/1211183175.db2.gz LJHRKXMUQHNRKC-SFHVURJKSA-N 2 1 360.502 0.328 20 0 FCADMP Cc1nn(C)c(C)c1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275161507 1211185056 /nfs/dbraw/zinc/18/50/56/1211185056.db2.gz FYBURVCVDJUBNX-IBGZPJMESA-N 2 1 363.506 0.649 20 0 FCADMP COc1nccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275261977 1211205204 /nfs/dbraw/zinc/20/52/04/1211205204.db2.gz USPLLXUJCCXDQW-SFHVURJKSA-N 2 1 363.462 0.098 20 0 FCADMP COc1nccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275261977 1211205205 /nfs/dbraw/zinc/20/52/05/1211205205.db2.gz USPLLXUJCCXDQW-SFHVURJKSA-N 2 1 363.462 0.098 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372417 1211225563 /nfs/dbraw/zinc/22/55/63/1211225563.db2.gz CFTKPCBUNLRGGB-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372417 1211225567 /nfs/dbraw/zinc/22/55/67/1211225567.db2.gz CFTKPCBUNLRGGB-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372417 1211225570 /nfs/dbraw/zinc/22/55/70/1211225570.db2.gz CFTKPCBUNLRGGB-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CN1C[C@]2(CC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)OCC1=O ZINC001275401809 1211231435 /nfs/dbraw/zinc/23/14/35/1211231435.db2.gz PLGBBSGHGWKOER-FQEVSTJZSA-N 2 1 358.486 0.872 20 0 FCADMP CCc1nccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275453093 1211240576 /nfs/dbraw/zinc/24/05/76/1211240576.db2.gz AIKXJVSQZWFNFO-IBGZPJMESA-N 2 1 359.474 0.942 20 0 FCADMP COC(C)(C)CN1C[C@@]2(CC1=O)COCCN(Cc1cnccc1N)C2 ZINC001275454893 1211240865 /nfs/dbraw/zinc/24/08/65/1211240865.db2.gz BRGSHFWCVYCEIC-IBGZPJMESA-N 2 1 362.474 0.970 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507567 1211252103 /nfs/dbraw/zinc/25/21/03/1211252103.db2.gz FKPMHMHSMMGYCI-LJQANCHMSA-N 2 1 366.506 0.551 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555227 1211255805 /nfs/dbraw/zinc/25/58/05/1211255805.db2.gz PFMHLVXLBYMWME-LJQANCHMSA-N 2 1 361.490 0.565 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556947 1211256467 /nfs/dbraw/zinc/25/64/67/1211256467.db2.gz QWGNNNCRWBJPCQ-DNVCBOLYSA-N 2 1 367.490 0.583 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556516 1211256601 /nfs/dbraw/zinc/25/66/01/1211256601.db2.gz MPVHCVMVYLWPIX-IBGZPJMESA-N 2 1 366.506 0.015 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C3)CC1 ZINC001275576340 1211258706 /nfs/dbraw/zinc/25/87/06/1211258706.db2.gz HMWVDMMKQGVJAT-AKCHCHLHSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)OCC1=O ZINC001275619998 1211263649 /nfs/dbraw/zinc/26/36/49/1211263649.db2.gz NTXKYHRQCDXXJZ-IBGZPJMESA-N 2 1 361.442 0.780 20 0 FCADMP CC1(C)OC[C@H](CN2C[C@@]3(F)C[N@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)O1 ZINC001275738054 1211279389 /nfs/dbraw/zinc/27/93/89/1211279389.db2.gz SNDAEWKVNASDCW-JCGIZDLHSA-N 2 1 373.444 0.712 20 0 FCADMP CC1(C)OC[C@H](CN2C[C@@]3(F)C[N@@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)O1 ZINC001275738054 1211279391 /nfs/dbraw/zinc/27/93/91/1211279391.db2.gz SNDAEWKVNASDCW-JCGIZDLHSA-N 2 1 373.444 0.712 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789656 1211283510 /nfs/dbraw/zinc/28/35/10/1211283510.db2.gz JAQMXZFMBQKAKH-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789656 1211283512 /nfs/dbraw/zinc/28/35/12/1211283512.db2.gz JAQMXZFMBQKAKH-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789656 1211283516 /nfs/dbraw/zinc/28/35/16/1211283516.db2.gz JAQMXZFMBQKAKH-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC2(CCC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275800621 1211286131 /nfs/dbraw/zinc/28/61/31/1211286131.db2.gz UOVAKABMLUVAQU-QGZVFWFLSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275800621 1211286134 /nfs/dbraw/zinc/28/61/34/1211286134.db2.gz UOVAKABMLUVAQU-QGZVFWFLSA-N 2 1 361.490 0.681 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833320 1211293637 /nfs/dbraw/zinc/29/36/37/1211293637.db2.gz BAAQBKKAIBTLTM-BEFAXECRSA-N 2 1 366.506 0.286 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001275877952 1211303646 /nfs/dbraw/zinc/30/36/46/1211303646.db2.gz IKCHZMOVZPIKTH-HZMVEIRTSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275877952 1211303647 /nfs/dbraw/zinc/30/36/47/1211303647.db2.gz IKCHZMOVZPIKTH-HZMVEIRTSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001275877952 1211303651 /nfs/dbraw/zinc/30/36/51/1211303651.db2.gz IKCHZMOVZPIKTH-HZMVEIRTSA-N 2 1 367.490 0.582 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2)OC ZINC001275878155 1211303740 /nfs/dbraw/zinc/30/37/40/1211303740.db2.gz ICFZQHRYRCWMHI-QFBILLFUSA-N 2 1 369.506 0.498 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2)OC ZINC001275878155 1211303741 /nfs/dbraw/zinc/30/37/41/1211303741.db2.gz ICFZQHRYRCWMHI-QFBILLFUSA-N 2 1 369.506 0.498 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2)OC ZINC001275878155 1211303750 /nfs/dbraw/zinc/30/37/50/1211303750.db2.gz ICFZQHRYRCWMHI-QFBILLFUSA-N 2 1 369.506 0.498 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879274 1211305775 /nfs/dbraw/zinc/30/57/75/1211305775.db2.gz PIIOHGGFMGXPRM-QFBILLFUSA-N 2 1 359.474 0.622 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879274 1211305776 /nfs/dbraw/zinc/30/57/76/1211305776.db2.gz PIIOHGGFMGXPRM-QFBILLFUSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879274 1211305777 /nfs/dbraw/zinc/30/57/77/1211305777.db2.gz PIIOHGGFMGXPRM-QFBILLFUSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879274 1211305780 /nfs/dbraw/zinc/30/57/80/1211305780.db2.gz PIIOHGGFMGXPRM-QFBILLFUSA-N 2 1 359.474 0.622 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878823 1211306095 /nfs/dbraw/zinc/30/60/95/1211306095.db2.gz LYGKWEMZNWUHJF-MJGOQNOKSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275878823 1211306100 /nfs/dbraw/zinc/30/61/00/1211306100.db2.gz LYGKWEMZNWUHJF-MJGOQNOKSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878823 1211306101 /nfs/dbraw/zinc/30/61/01/1211306101.db2.gz LYGKWEMZNWUHJF-MJGOQNOKSA-N 2 1 369.506 0.500 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3[nH]nc4ccccc43)C2)OCC1=O ZINC001275926979 1211310953 /nfs/dbraw/zinc/31/09/53/1211310953.db2.gz ONZHOIMVKCZEQD-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3[nH]nc4ccccc43)C2)OCC1=O ZINC001275926979 1211310956 /nfs/dbraw/zinc/31/09/56/1211310956.db2.gz ONZHOIMVKCZEQD-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001095419055 1211331615 /nfs/dbraw/zinc/33/16/15/1211331615.db2.gz MOCPZYKGGJKALS-OWSLCNJRSA-N 2 1 360.502 0.672 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3)C2)OCC1=O ZINC001276214237 1211382833 /nfs/dbraw/zinc/38/28/33/1211382833.db2.gz LIWZHOQCCJFSIG-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc4cccnc4[nH]3)C2)OCC1=O ZINC001276258377 1211395624 /nfs/dbraw/zinc/39/56/24/1211395624.db2.gz AAOFDUMDGYOTPH-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)O1 ZINC001095611651 1211426558 /nfs/dbraw/zinc/42/65/58/1211426558.db2.gz VNVZABUIURQTEV-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)O1 ZINC001095611651 1211426561 /nfs/dbraw/zinc/42/65/61/1211426561.db2.gz VNVZABUIURQTEV-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)O1 ZINC001095611651 1211426564 /nfs/dbraw/zinc/42/65/64/1211426564.db2.gz VNVZABUIURQTEV-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2cnn(C)c2)O1 ZINC001095611651 1211426568 /nfs/dbraw/zinc/42/65/68/1211426568.db2.gz VNVZABUIURQTEV-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547277400 1211452089 /nfs/dbraw/zinc/45/20/89/1211452089.db2.gz HUVDHEGLMHZCQN-IBGZPJMESA-N 2 1 361.490 0.935 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@H](C)C1 ZINC000924662741 1211476933 /nfs/dbraw/zinc/47/69/33/1211476933.db2.gz HQTBVJAOZZTYRX-CQSZACIVSA-N 2 1 363.462 0.926 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@H](C)C1 ZINC000924662741 1211476936 /nfs/dbraw/zinc/47/69/36/1211476936.db2.gz HQTBVJAOZZTYRX-CQSZACIVSA-N 2 1 363.462 0.926 20 0 FCADMP O=C(CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)N1CCN(c2ccccn2)CC1 ZINC000925545578 1211502077 /nfs/dbraw/zinc/50/20/77/1211502077.db2.gz YZALTVBZNQVWRD-WKKSIBQESA-N 2 1 355.486 0.706 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926299054 1211528289 /nfs/dbraw/zinc/52/82/89/1211528289.db2.gz PAKBTZDMGYINPB-KBAYOESNSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926349327 1211537584 /nfs/dbraw/zinc/53/75/84/1211537584.db2.gz VSHHDDHHAICEAR-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635931 1211577899 /nfs/dbraw/zinc/57/78/99/1211577899.db2.gz BWQZGUJZXZSJOZ-RDJZCZTQSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635931 1211577903 /nfs/dbraw/zinc/57/79/03/1211577903.db2.gz BWQZGUJZXZSJOZ-RDJZCZTQSA-N 2 1 368.522 0.726 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000927644411 1211578989 /nfs/dbraw/zinc/57/89/89/1211578989.db2.gz HJZRYNOLVMHJTR-MSOLQXFVSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000927644411 1211578996 /nfs/dbraw/zinc/57/89/96/1211578996.db2.gz HJZRYNOLVMHJTR-MSOLQXFVSA-N 2 1 366.506 0.746 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941250 1211598451 /nfs/dbraw/zinc/59/84/51/1211598451.db2.gz VNSOOWYTKBOTRG-ZJPYXAASSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941250 1211598455 /nfs/dbraw/zinc/59/84/55/1211598455.db2.gz VNSOOWYTKBOTRG-ZJPYXAASSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941250 1211598461 /nfs/dbraw/zinc/59/84/61/1211598461.db2.gz VNSOOWYTKBOTRG-ZJPYXAASSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941250 1211598465 /nfs/dbraw/zinc/59/84/65/1211598465.db2.gz VNSOOWYTKBOTRG-ZJPYXAASSA-N 2 1 369.506 0.480 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110978851 1211672784 /nfs/dbraw/zinc/67/27/84/1211672784.db2.gz DDWLCPHIVLSFEI-KURKYZTESA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110978851 1211672785 /nfs/dbraw/zinc/67/27/85/1211672785.db2.gz DDWLCPHIVLSFEI-KURKYZTESA-N 2 1 362.518 0.918 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980116 1211683693 /nfs/dbraw/zinc/68/36/93/1211683693.db2.gz QKDDEIHIGASZBE-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980116 1211683696 /nfs/dbraw/zinc/68/36/96/1211683696.db2.gz QKDDEIHIGASZBE-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931486283 1211757759 /nfs/dbraw/zinc/75/77/59/1211757759.db2.gz BDKTVLPIOSLRKC-UHFFFAOYSA-N 2 1 370.494 0.112 20 0 FCADMP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487070 1211757783 /nfs/dbraw/zinc/75/77/83/1211757783.db2.gz PZXWGYHUIGSXAQ-UHFFFAOYSA-N 2 1 363.458 0.825 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931613073 1211764432 /nfs/dbraw/zinc/76/44/32/1211764432.db2.gz UDZBPFDPFNLLID-UHFFFAOYSA-N 2 1 358.446 0.817 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000931876724 1211777621 /nfs/dbraw/zinc/77/76/21/1211777621.db2.gz AMBIPZMOWDTEHR-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000931876724 1211777624 /nfs/dbraw/zinc/77/76/24/1211777624.db2.gz AMBIPZMOWDTEHR-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000931876724 1211777627 /nfs/dbraw/zinc/77/76/27/1211777627.db2.gz AMBIPZMOWDTEHR-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000931876724 1211777629 /nfs/dbraw/zinc/77/76/29/1211777629.db2.gz AMBIPZMOWDTEHR-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021412 1211789345 /nfs/dbraw/zinc/78/93/45/1211789345.db2.gz SRIQXQKQIMMCSE-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021412 1211789347 /nfs/dbraw/zinc/78/93/47/1211789347.db2.gz SRIQXQKQIMMCSE-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021412 1211789351 /nfs/dbraw/zinc/78/93/51/1211789351.db2.gz SRIQXQKQIMMCSE-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021412 1211789355 /nfs/dbraw/zinc/78/93/55/1211789355.db2.gz SRIQXQKQIMMCSE-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446858 1225315496 /nfs/dbraw/zinc/31/54/96/1225315496.db2.gz XIGAJQQNRFPRRO-BZUAXINKSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446858 1225315500 /nfs/dbraw/zinc/31/55/00/1225315500.db2.gz XIGAJQQNRFPRRO-BZUAXINKSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446858 1225315504 /nfs/dbraw/zinc/31/55/04/1225315504.db2.gz XIGAJQQNRFPRRO-BZUAXINKSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446858 1225315509 /nfs/dbraw/zinc/31/55/09/1225315509.db2.gz XIGAJQQNRFPRRO-BZUAXINKSA-N 2 1 365.522 0.711 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000933843790 1211848627 /nfs/dbraw/zinc/84/86/27/1211848627.db2.gz DAAVLJLFOHWQED-UHFFFAOYSA-N 2 1 359.474 0.578 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)CC1 ZINC000934058898 1211855658 /nfs/dbraw/zinc/85/56/58/1211855658.db2.gz OWYQJUAOLGNBKS-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146880 1211899865 /nfs/dbraw/zinc/89/98/65/1211899865.db2.gz DBKKFORNJHNRHE-XDNAFOTISA-N 2 1 369.506 0.218 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146880 1211899867 /nfs/dbraw/zinc/89/98/67/1211899867.db2.gz DBKKFORNJHNRHE-XDNAFOTISA-N 2 1 369.506 0.218 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001111169484 1211909638 /nfs/dbraw/zinc/90/96/38/1211909638.db2.gz VXPWSEWXSKQBQZ-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000968629208 1212053297 /nfs/dbraw/zinc/05/32/97/1212053297.db2.gz BWURIXKLQSRHPG-IKGGRYGDSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000947968823 1212105754 /nfs/dbraw/zinc/10/57/54/1212105754.db2.gz PHOSOEYJWRCBJJ-FRFSOERESA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000948116003 1212134299 /nfs/dbraw/zinc/13/42/99/1212134299.db2.gz AVPVNKYPRVDSGQ-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000948116003 1212134303 /nfs/dbraw/zinc/13/43/03/1212134303.db2.gz AVPVNKYPRVDSGQ-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948409851 1212169808 /nfs/dbraw/zinc/16/98/08/1212169808.db2.gz IVVUFSXQOWXMKL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948409851 1212169812 /nfs/dbraw/zinc/16/98/12/1212169812.db2.gz IVVUFSXQOWXMKL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948409851 1212169815 /nfs/dbraw/zinc/16/98/15/1212169815.db2.gz IVVUFSXQOWXMKL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948409851 1212169820 /nfs/dbraw/zinc/16/98/20/1212169820.db2.gz IVVUFSXQOWXMKL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274374 1212193150 /nfs/dbraw/zinc/19/31/50/1212193150.db2.gz AFILXXHDFQEHEG-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274374 1212193154 /nfs/dbraw/zinc/19/31/54/1212193154.db2.gz AFILXXHDFQEHEG-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274374 1212193159 /nfs/dbraw/zinc/19/31/59/1212193159.db2.gz AFILXXHDFQEHEG-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274374 1212193162 /nfs/dbraw/zinc/19/31/62/1212193162.db2.gz AFILXXHDFQEHEG-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111279690 1212225017 /nfs/dbraw/zinc/22/50/17/1212225017.db2.gz HDRIXHGVTBXPGX-HZMVEIRTSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000948961871 1212268955 /nfs/dbraw/zinc/26/89/55/1212268955.db2.gz OBQZEQNBKOIWBF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000948961871 1212268961 /nfs/dbraw/zinc/26/89/61/1212268961.db2.gz OBQZEQNBKOIWBF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000948961871 1212268963 /nfs/dbraw/zinc/26/89/63/1212268963.db2.gz OBQZEQNBKOIWBF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000948961871 1212268968 /nfs/dbraw/zinc/26/89/68/1212268968.db2.gz OBQZEQNBKOIWBF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000948966290 1212269757 /nfs/dbraw/zinc/26/97/57/1212269757.db2.gz XBIDQLYVGKUFTK-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000948966290 1212269759 /nfs/dbraw/zinc/26/97/59/1212269759.db2.gz XBIDQLYVGKUFTK-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000949113630 1212297438 /nfs/dbraw/zinc/29/74/38/1212297438.db2.gz SKUXTVQBOVDNSJ-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000949113630 1212297442 /nfs/dbraw/zinc/29/74/42/1212297442.db2.gz SKUXTVQBOVDNSJ-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000949113630 1212297450 /nfs/dbraw/zinc/29/74/50/1212297450.db2.gz SKUXTVQBOVDNSJ-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000949113630 1212297454 /nfs/dbraw/zinc/29/74/54/1212297454.db2.gz SKUXTVQBOVDNSJ-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949319698 1212354619 /nfs/dbraw/zinc/35/46/19/1212354619.db2.gz SYQCYIFQBOJXCG-KBRIMQKVSA-N 2 1 359.474 0.496 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950241349 1212538343 /nfs/dbraw/zinc/53/83/43/1212538343.db2.gz CYLISZVGZFBMQU-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1C ZINC000950241371 1212538364 /nfs/dbraw/zinc/53/83/64/1212538364.db2.gz DSKJYCQCVWSMPQ-RBSFLKMASA-N 2 1 359.474 0.819 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007851843 1212592288 /nfs/dbraw/zinc/59/22/88/1212592288.db2.gz LLJQHDRVVQJXJB-FTRWYGJKSA-N 2 1 360.502 0.674 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001691737333 1212862187 /nfs/dbraw/zinc/86/21/87/1212862187.db2.gz GGXBGYDXMLQQQZ-WBVHZDCISA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001691737333 1212862188 /nfs/dbraw/zinc/86/21/88/1212862188.db2.gz GGXBGYDXMLQQQZ-WBVHZDCISA-N 2 1 368.522 0.543 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000952410109 1212948610 /nfs/dbraw/zinc/94/86/10/1212948610.db2.gz ONCPTMQMALPDDK-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307796 1212956412 /nfs/dbraw/zinc/95/64/12/1212956412.db2.gz LXAAXDXQCDMDEN-MJGOQNOKSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001111409399 1212994197 /nfs/dbraw/zinc/99/41/97/1212994197.db2.gz TWBZUYLSFRFNHZ-TVFCKZIOSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000953834702 1213019414 /nfs/dbraw/zinc/01/94/14/1213019414.db2.gz NAAMLYLIMNEUNA-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000953834702 1213019417 /nfs/dbraw/zinc/01/94/17/1213019417.db2.gz NAAMLYLIMNEUNA-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953834702 1213019420 /nfs/dbraw/zinc/01/94/20/1213019420.db2.gz NAAMLYLIMNEUNA-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953834702 1213019423 /nfs/dbraw/zinc/01/94/23/1213019423.db2.gz NAAMLYLIMNEUNA-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000953978355 1213029836 /nfs/dbraw/zinc/02/98/36/1213029836.db2.gz OWOFCMYELFDMDU-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000953978355 1213029840 /nfs/dbraw/zinc/02/98/40/1213029840.db2.gz OWOFCMYELFDMDU-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953978355 1213029843 /nfs/dbraw/zinc/02/98/43/1213029843.db2.gz OWOFCMYELFDMDU-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953978355 1213029846 /nfs/dbraw/zinc/02/98/46/1213029846.db2.gz OWOFCMYELFDMDU-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954508895 1213080826 /nfs/dbraw/zinc/08/08/26/1213080826.db2.gz DISSDWAMLWLYRL-SOLBZPMBSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954508895 1213080831 /nfs/dbraw/zinc/08/08/31/1213080831.db2.gz DISSDWAMLWLYRL-SOLBZPMBSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954508895 1213080836 /nfs/dbraw/zinc/08/08/36/1213080836.db2.gz DISSDWAMLWLYRL-SOLBZPMBSA-N 2 1 364.534 0.974 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221658922 1225422887 /nfs/dbraw/zinc/42/28/87/1225422887.db2.gz AXXWBBZUPUPOFO-NVXWUHKLSA-N 2 1 359.474 0.529 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221658922 1225422889 /nfs/dbraw/zinc/42/28/89/1225422889.db2.gz AXXWBBZUPUPOFO-NVXWUHKLSA-N 2 1 359.474 0.529 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641792631 1213216041 /nfs/dbraw/zinc/21/60/41/1213216041.db2.gz VTAWMPBJYBUHOP-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641792631 1213216043 /nfs/dbraw/zinc/21/60/43/1213216043.db2.gz VTAWMPBJYBUHOP-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641792631 1213216045 /nfs/dbraw/zinc/21/60/45/1213216045.db2.gz VTAWMPBJYBUHOP-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000957162497 1213271759 /nfs/dbraw/zinc/27/17/59/1213271759.db2.gz CVXAOCDHCGRWKQ-RKVPGOIHSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000957162497 1213271763 /nfs/dbraw/zinc/27/17/63/1213271763.db2.gz CVXAOCDHCGRWKQ-RKVPGOIHSA-N 2 1 366.506 0.297 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957565855 1213323424 /nfs/dbraw/zinc/32/34/24/1213323424.db2.gz BPILUPZCDZJQSA-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957565855 1213323426 /nfs/dbraw/zinc/32/34/26/1213323426.db2.gz BPILUPZCDZJQSA-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001221771788 1225475798 /nfs/dbraw/zinc/47/57/98/1225475798.db2.gz HBUILHYCCLYTJG-BRWVUGGUSA-N 2 1 361.490 0.119 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418833169 1213850362 /nfs/dbraw/zinc/85/03/62/1213850362.db2.gz KUXRGWNRRLAQFI-DNVCBOLYSA-N 2 1 360.458 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CCc3nccn3C)CC2)CC[N@H+]1C ZINC001011210873 1213850885 /nfs/dbraw/zinc/85/08/85/1213850885.db2.gz ZFIWZRNCHHZBJY-JKSUJKDBSA-N 2 1 361.490 0.754 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001011322081 1213870771 /nfs/dbraw/zinc/87/07/71/1213870771.db2.gz JJARXJXRAXLKSY-IAGOWNOFSA-N 2 1 366.506 0.108 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001011322081 1213870775 /nfs/dbraw/zinc/87/07/75/1213870775.db2.gz JJARXJXRAXLKSY-IAGOWNOFSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418936007 1213927090 /nfs/dbraw/zinc/92/70/90/1213927090.db2.gz BCYPJUGHVODLGB-OXJNMPFZSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001221823071 1225494490 /nfs/dbraw/zinc/49/44/90/1225494490.db2.gz DRZNSKCYPYHNTI-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001221823071 1225494495 /nfs/dbraw/zinc/49/44/95/1225494495.db2.gz DRZNSKCYPYHNTI-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N2CCC2)CC3)CC[N@H+]1C ZINC001016630449 1214024723 /nfs/dbraw/zinc/02/47/23/1214024723.db2.gz FVCBMPYCXQMZGN-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC001017544581 1214113710 /nfs/dbraw/zinc/11/37/10/1214113710.db2.gz RRAGVLBCFIKAOJ-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC001017544581 1214113718 /nfs/dbraw/zinc/11/37/18/1214113718.db2.gz RRAGVLBCFIKAOJ-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001017544581 1214113720 /nfs/dbraw/zinc/11/37/20/1214113720.db2.gz RRAGVLBCFIKAOJ-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001017544581 1214113727 /nfs/dbraw/zinc/11/37/27/1214113727.db2.gz RRAGVLBCFIKAOJ-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CCCC2)C3)CC[N@H+]1C ZINC001019072451 1214191576 /nfs/dbraw/zinc/19/15/76/1214191576.db2.gz JJELIALZAXLDQE-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001039865037 1214450361 /nfs/dbraw/zinc/45/03/61/1214450361.db2.gz KIDZPRKAWIVLLD-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001039865037 1214450367 /nfs/dbraw/zinc/45/03/67/1214450367.db2.gz KIDZPRKAWIVLLD-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001039865037 1214450369 /nfs/dbraw/zinc/45/03/69/1214450369.db2.gz KIDZPRKAWIVLLD-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001040103668 1214467943 /nfs/dbraw/zinc/46/79/43/1214467943.db2.gz BYFICUGKAJGQEA-FRQCXROJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001040103668 1214467947 /nfs/dbraw/zinc/46/79/47/1214467947.db2.gz BYFICUGKAJGQEA-FRQCXROJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001040103668 1214467951 /nfs/dbraw/zinc/46/79/51/1214467951.db2.gz BYFICUGKAJGQEA-FRQCXROJSA-N 2 1 368.522 0.137 20 0 FCADMP CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001276366268 1214477889 /nfs/dbraw/zinc/47/78/89/1214477889.db2.gz NIUSLGOBIFMYIS-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001276366268 1214477892 /nfs/dbraw/zinc/47/78/92/1214477892.db2.gz NIUSLGOBIFMYIS-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001276366268 1214477896 /nfs/dbraw/zinc/47/78/96/1214477896.db2.gz NIUSLGOBIFMYIS-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001276366268 1214477899 /nfs/dbraw/zinc/47/78/99/1214477899.db2.gz NIUSLGOBIFMYIS-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001040720026 1214573331 /nfs/dbraw/zinc/57/33/31/1214573331.db2.gz ZWGXHPROZMSCIV-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001221950294 1225549015 /nfs/dbraw/zinc/54/90/15/1225549015.db2.gz AGKILXPOVKZUFL-KZNAEPCWSA-N 2 1 369.506 0.293 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCCN(C)C2=O)C3)CC[N@H+]1C ZINC000963829622 1214859893 /nfs/dbraw/zinc/85/98/93/1214859893.db2.gz AXPDISDPCWIQGS-SNCNAIARSA-N 2 1 362.518 0.964 20 0 FCADMP CCN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000963829712 1214859957 /nfs/dbraw/zinc/85/99/57/1214859957.db2.gz CYHIICGKXZTFER-SNCNAIARSA-N 2 1 362.518 0.964 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC000965211971 1215034561 /nfs/dbraw/zinc/03/45/61/1215034561.db2.gz QPGNJARTSUWIJQ-LOQRQRIXSA-N 2 1 370.497 0.834 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014213 1225575519 /nfs/dbraw/zinc/57/55/19/1225575519.db2.gz WWHYCTDTILIXTO-OWCLPIDISA-N 2 1 365.522 0.569 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014213 1225575523 /nfs/dbraw/zinc/57/55/23/1225575523.db2.gz WWHYCTDTILIXTO-OWCLPIDISA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014213 1225575527 /nfs/dbraw/zinc/57/55/27/1225575527.db2.gz WWHYCTDTILIXTO-OWCLPIDISA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014213 1225575528 /nfs/dbraw/zinc/57/55/28/1225575528.db2.gz WWHYCTDTILIXTO-OWCLPIDISA-N 2 1 365.522 0.569 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001222017892 1225577400 /nfs/dbraw/zinc/57/74/00/1225577400.db2.gz AXTJTSYNUZULCR-FGTMMUONSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001222017892 1225577405 /nfs/dbraw/zinc/57/74/05/1225577405.db2.gz AXTJTSYNUZULCR-FGTMMUONSA-N 2 1 364.490 0.758 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045942 1225588291 /nfs/dbraw/zinc/58/82/91/1225588291.db2.gz YDYDHWBGZVHLPT-ZHALLVOQSA-N 2 1 361.486 0.902 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222046831 1225589585 /nfs/dbraw/zinc/58/95/85/1225589585.db2.gz YJUKWNVGMXEIFI-QZTJIDSGSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222046831 1225589587 /nfs/dbraw/zinc/58/95/87/1225589587.db2.gz YJUKWNVGMXEIFI-QZTJIDSGSA-N 2 1 362.518 0.921 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049728 1225590236 /nfs/dbraw/zinc/59/02/36/1225590236.db2.gz JESOSILFMYLBDG-RBSFLKMASA-N 2 1 367.494 0.094 20 0 FCADMP COCCCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222051421 1225591004 /nfs/dbraw/zinc/59/10/04/1225591004.db2.gz WXPQDIRNYBSPCY-GVDBMIGSSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222051421 1225591010 /nfs/dbraw/zinc/59/10/10/1225591010.db2.gz WXPQDIRNYBSPCY-GVDBMIGSSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222051421 1225591012 /nfs/dbraw/zinc/59/10/12/1225591012.db2.gz WXPQDIRNYBSPCY-GVDBMIGSSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222051421 1225591016 /nfs/dbraw/zinc/59/10/16/1225591016.db2.gz WXPQDIRNYBSPCY-GVDBMIGSSA-N 2 1 368.522 0.401 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)cn1 ZINC001098013469 1215924348 /nfs/dbraw/zinc/92/43/48/1215924348.db2.gz ONVXBMUOQDWQNW-KURKYZTESA-N 2 1 371.489 0.677 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055966867 1215929446 /nfs/dbraw/zinc/92/94/46/1215929446.db2.gz LBZJRFQKWTVMMC-GPMSIDNRSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055966867 1215929448 /nfs/dbraw/zinc/92/94/48/1215929448.db2.gz LBZJRFQKWTVMMC-GPMSIDNRSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966867 1215929452 /nfs/dbraw/zinc/92/94/52/1215929452.db2.gz LBZJRFQKWTVMMC-GPMSIDNRSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001055968185 1215930050 /nfs/dbraw/zinc/93/00/50/1215930050.db2.gz VLFZMXLXKXOCLN-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694293 1225645808 /nfs/dbraw/zinc/64/58/08/1225645808.db2.gz SBHAXCIOBHJNKS-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694293 1225645810 /nfs/dbraw/zinc/64/58/10/1225645810.db2.gz SBHAXCIOBHJNKS-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC001000351048 1216041008 /nfs/dbraw/zinc/04/10/08/1216041008.db2.gz BXSVUYXKSXVSST-UHOSZYNNSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001000351048 1216041013 /nfs/dbraw/zinc/04/10/13/1216041013.db2.gz BXSVUYXKSXVSST-UHOSZYNNSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001000351048 1216041019 /nfs/dbraw/zinc/04/10/19/1216041019.db2.gz BXSVUYXKSXVSST-UHOSZYNNSA-N 2 1 370.497 0.611 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841924 1225656537 /nfs/dbraw/zinc/65/65/37/1225656537.db2.gz GLUXUSYRGNHLQO-KSSFIOAISA-N 2 1 361.446 0.632 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)CC1 ZINC001050922733 1216374576 /nfs/dbraw/zinc/37/45/76/1216374576.db2.gz XTQZNRCHOLOXJV-OTWHNJEPSA-N 2 1 365.518 0.960 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)CC1 ZINC001050922733 1216374584 /nfs/dbraw/zinc/37/45/84/1216374584.db2.gz XTQZNRCHOLOXJV-OTWHNJEPSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[NH+]([C@H]2CCNC2=O)C3)CC[N@@H+]1C ZINC001051289058 1216425670 /nfs/dbraw/zinc/42/56/70/1216425670.db2.gz CKNBQEZKHMVGKS-BJZITVGISA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[NH+]([C@H]2CCNC2=O)C3)CC[N@H+]1C ZINC001051289058 1216425680 /nfs/dbraw/zinc/42/56/80/1216425680.db2.gz CKNBQEZKHMVGKS-BJZITVGISA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[N@@H+]([C@H]2CCNC2=O)C3)CC[NH+]1C ZINC001051289058 1216425693 /nfs/dbraw/zinc/42/56/93/1216425693.db2.gz CKNBQEZKHMVGKS-BJZITVGISA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[N@H+]([C@H]2CCNC2=O)C3)CC[NH+]1C ZINC001051289058 1216425700 /nfs/dbraw/zinc/42/57/00/1216425700.db2.gz CKNBQEZKHMVGKS-BJZITVGISA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291548 1216427416 /nfs/dbraw/zinc/42/74/16/1216427416.db2.gz SJIGKKMAPDIDPN-JKIFEVAISA-N 2 1 358.486 0.875 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291548 1216427426 /nfs/dbraw/zinc/42/74/26/1216427426.db2.gz SJIGKKMAPDIDPN-JKIFEVAISA-N 2 1 358.486 0.875 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291548 1216427433 /nfs/dbraw/zinc/42/74/33/1216427433.db2.gz SJIGKKMAPDIDPN-JKIFEVAISA-N 2 1 358.486 0.875 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291548 1216427440 /nfs/dbraw/zinc/42/74/40/1216427440.db2.gz SJIGKKMAPDIDPN-JKIFEVAISA-N 2 1 358.486 0.875 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623664 1216467730 /nfs/dbraw/zinc/46/77/30/1216467730.db2.gz JDGOUMDMVYTJDS-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623664 1216467734 /nfs/dbraw/zinc/46/77/34/1216467734.db2.gz JDGOUMDMVYTJDS-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3F)C2)O1 ZINC001051678493 1216473558 /nfs/dbraw/zinc/47/35/58/1216473558.db2.gz CIVXRMOSZDTCCL-UWWQBHOKSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3F)C2)O1 ZINC001051678493 1216473566 /nfs/dbraw/zinc/47/35/66/1216473566.db2.gz CIVXRMOSZDTCCL-UWWQBHOKSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001052490110 1216562232 /nfs/dbraw/zinc/56/22/32/1216562232.db2.gz SWSIJRVOLLHLGZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001052490110 1216562237 /nfs/dbraw/zinc/56/22/37/1216562237.db2.gz SWSIJRVOLLHLGZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCCC3=O)CC2)O1 ZINC001052490110 1216562241 /nfs/dbraw/zinc/56/22/41/1216562241.db2.gz SWSIJRVOLLHLGZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)CC2)O1 ZINC001052490110 1216562245 /nfs/dbraw/zinc/56/22/45/1216562245.db2.gz SWSIJRVOLLHLGZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490899 1216562263 /nfs/dbraw/zinc/56/22/63/1216562263.db2.gz WHTAAPANPJCQQE-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490899 1216562269 /nfs/dbraw/zinc/56/22/69/1216562269.db2.gz WHTAAPANPJCQQE-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490899 1216562272 /nfs/dbraw/zinc/56/22/72/1216562272.db2.gz WHTAAPANPJCQQE-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490899 1216562277 /nfs/dbraw/zinc/56/22/77/1216562277.db2.gz WHTAAPANPJCQQE-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C2CC2)[NH+](C)C)O1 ZINC001067637283 1216691274 /nfs/dbraw/zinc/69/12/74/1216691274.db2.gz HVSDVJYFEHKEKJ-DJIMGWMZSA-N 2 1 368.522 0.353 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C2CC2)[NH+](C)C)O1 ZINC001067637283 1216691278 /nfs/dbraw/zinc/69/12/78/1216691278.db2.gz HVSDVJYFEHKEKJ-DJIMGWMZSA-N 2 1 368.522 0.353 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223221941 1225690985 /nfs/dbraw/zinc/69/09/85/1225690985.db2.gz KSXLUGQCELKFLQ-WBVHZDCISA-N 2 1 359.474 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068420226 1216735870 /nfs/dbraw/zinc/73/58/70/1216735870.db2.gz IUWCUHAZOCIWKC-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068420226 1216735875 /nfs/dbraw/zinc/73/58/75/1216735875.db2.gz IUWCUHAZOCIWKC-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068420226 1216735876 /nfs/dbraw/zinc/73/58/76/1216735876.db2.gz IUWCUHAZOCIWKC-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068884222 1216764514 /nfs/dbraw/zinc/76/45/14/1216764514.db2.gz BRAOEFGBUFTWPD-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885197 1216765378 /nfs/dbraw/zinc/76/53/78/1216765378.db2.gz PRROJAIDMKYFTG-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885197 1216765386 /nfs/dbraw/zinc/76/53/86/1216765386.db2.gz PRROJAIDMKYFTG-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885197 1216765390 /nfs/dbraw/zinc/76/53/90/1216765390.db2.gz PRROJAIDMKYFTG-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001223248323 1225694318 /nfs/dbraw/zinc/69/43/18/1225694318.db2.gz IRYOHEVJWPRYJN-VHDGCEQUSA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944967 1216857981 /nfs/dbraw/zinc/85/79/81/1216857981.db2.gz BVUKBPPPOWTTPF-BBWFWOEESA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944967 1216857984 /nfs/dbraw/zinc/85/79/84/1216857984.db2.gz BVUKBPPPOWTTPF-BBWFWOEESA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944967 1216857985 /nfs/dbraw/zinc/85/79/85/1216857985.db2.gz BVUKBPPPOWTTPF-BBWFWOEESA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966025 1216872780 /nfs/dbraw/zinc/87/27/80/1216872780.db2.gz SAFUCJKICDJXLO-ZACQAIPSSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966025 1216872782 /nfs/dbraw/zinc/87/27/82/1216872782.db2.gz SAFUCJKICDJXLO-ZACQAIPSSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966025 1216872783 /nfs/dbraw/zinc/87/27/83/1216872783.db2.gz SAFUCJKICDJXLO-ZACQAIPSSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966025 1216872784 /nfs/dbraw/zinc/87/27/84/1216872784.db2.gz SAFUCJKICDJXLO-ZACQAIPSSA-N 2 1 364.494 0.122 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001070009407 1216896108 /nfs/dbraw/zinc/89/61/08/1216896108.db2.gz YQYUXWMVUYKEBA-OIISXLGYSA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001070009407 1216896110 /nfs/dbraw/zinc/89/61/10/1216896110.db2.gz YQYUXWMVUYKEBA-OIISXLGYSA-N 2 1 357.462 0.796 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCc3ccco3)[C@H]2C1 ZINC001223429764 1225706466 /nfs/dbraw/zinc/70/64/66/1225706466.db2.gz AJXBZCCAZBLPTD-WBVHZDCISA-N 2 1 362.474 0.770 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCc3ccco3)[C@H]2C1 ZINC001223429764 1225706471 /nfs/dbraw/zinc/70/64/71/1225706471.db2.gz AJXBZCCAZBLPTD-WBVHZDCISA-N 2 1 362.474 0.770 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)[C@H]2C1)[NH+](C)C ZINC001223512424 1225712090 /nfs/dbraw/zinc/71/20/90/1225712090.db2.gz HTCDIBKZBUAJCG-IKGGRYGDSA-N 2 1 367.538 0.957 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223569933 1225716612 /nfs/dbraw/zinc/71/66/12/1225716612.db2.gz GNGSPKVTMJZQQJ-DJIMGWMZSA-N 2 1 368.522 0.578 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223569933 1225716618 /nfs/dbraw/zinc/71/66/18/1225716618.db2.gz GNGSPKVTMJZQQJ-DJIMGWMZSA-N 2 1 368.522 0.578 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223726509 1225730246 /nfs/dbraw/zinc/73/02/46/1225730246.db2.gz HSDBWWVJEBVZEL-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223722756 1225730502 /nfs/dbraw/zinc/73/05/02/1225730502.db2.gz VEKUULIRPGYIHK-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)CC1 ZINC001223763627 1225734029 /nfs/dbraw/zinc/73/40/29/1225734029.db2.gz DUFFQOILGDHWII-AEFFLSMTSA-N 2 1 369.506 0.029 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223846760 1225739920 /nfs/dbraw/zinc/73/99/20/1225739920.db2.gz SECGCPYJYULMSW-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223846760 1225739924 /nfs/dbraw/zinc/73/99/24/1225739924.db2.gz SECGCPYJYULMSW-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223846760 1225739930 /nfs/dbraw/zinc/73/99/30/1225739930.db2.gz SECGCPYJYULMSW-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nc(C)[nH+]1 ZINC001042680788 1217444021 /nfs/dbraw/zinc/44/40/21/1217444021.db2.gz OUWCLPVHUVYXKS-YZUGCONDSA-N 2 1 371.485 0.898 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)nc(C)[nH+]1 ZINC001042680788 1217444026 /nfs/dbraw/zinc/44/40/26/1217444026.db2.gz OUWCLPVHUVYXKS-YZUGCONDSA-N 2 1 371.485 0.898 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)C1CC1 ZINC001223911936 1225744789 /nfs/dbraw/zinc/74/47/89/1225744789.db2.gz KQELLHBTEKMWCR-WBVHZDCISA-N 2 1 360.502 0.531 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)cn1 ZINC001223916738 1225746728 /nfs/dbraw/zinc/74/67/28/1225746728.db2.gz NXPRPWIUCCPTPD-MSOLQXFVSA-N 2 1 363.506 0.464 20 0 FCADMP C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961148 1225771043 /nfs/dbraw/zinc/77/10/43/1225771043.db2.gz ZJZFRSLROQJCEQ-UYAOXDASSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961148 1225771048 /nfs/dbraw/zinc/77/10/48/1225771048.db2.gz ZJZFRSLROQJCEQ-UYAOXDASSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961148 1225771052 /nfs/dbraw/zinc/77/10/52/1225771052.db2.gz ZJZFRSLROQJCEQ-UYAOXDASSA-N 2 1 366.550 0.709 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001044251611 1217825813 /nfs/dbraw/zinc/82/58/13/1217825813.db2.gz NVYKOTRPTHRIML-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001045044225 1217895824 /nfs/dbraw/zinc/89/58/24/1217895824.db2.gz XBOKKFFYQYCIHJ-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001045044225 1217895825 /nfs/dbraw/zinc/89/58/25/1217895825.db2.gz XBOKKFFYQYCIHJ-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001045089905 1217898904 /nfs/dbraw/zinc/89/89/04/1217898904.db2.gz PQIBBOKHYLWGER-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001045089905 1217898907 /nfs/dbraw/zinc/89/89/07/1217898907.db2.gz PQIBBOKHYLWGER-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020701 1217922768 /nfs/dbraw/zinc/92/27/68/1217922768.db2.gz PWCQUIMUPBQVFE-ZSGPHXLJSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020701 1217922770 /nfs/dbraw/zinc/92/27/70/1217922770.db2.gz PWCQUIMUPBQVFE-ZSGPHXLJSA-N 2 1 358.486 1.000 20 0 FCADMP COCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673044 1217946976 /nfs/dbraw/zinc/94/69/76/1217946976.db2.gz NHODQHFVWQBFIP-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673044 1217946979 /nfs/dbraw/zinc/94/69/79/1217946979.db2.gz NHODQHFVWQBFIP-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900157243 1217965011 /nfs/dbraw/zinc/96/50/11/1217965011.db2.gz KDZKOPHMPQIFNG-UHFFFAOYSA-N 2 1 370.501 0.997 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000900512996 1218000636 /nfs/dbraw/zinc/00/06/36/1218000636.db2.gz QXLZMMGIUAVIBT-KRWDZBQOSA-N 2 1 367.538 0.106 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000900512996 1218000639 /nfs/dbraw/zinc/00/06/39/1218000639.db2.gz QXLZMMGIUAVIBT-KRWDZBQOSA-N 2 1 367.538 0.106 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000900512996 1218000642 /nfs/dbraw/zinc/00/06/42/1218000642.db2.gz QXLZMMGIUAVIBT-KRWDZBQOSA-N 2 1 367.538 0.106 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000900516469 1218001301 /nfs/dbraw/zinc/00/13/01/1218001301.db2.gz DEBZEIHDRVDQCR-MRXNPFEDSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000900516469 1218001305 /nfs/dbraw/zinc/00/13/05/1218001305.db2.gz DEBZEIHDRVDQCR-MRXNPFEDSA-N 2 1 369.506 0.879 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900804847 1218038631 /nfs/dbraw/zinc/03/86/31/1218038631.db2.gz NRFRMPXJXLYPJJ-ICSRJNTNSA-N 2 1 373.545 0.949 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001096106217 1218047187 /nfs/dbraw/zinc/04/71/87/1218047187.db2.gz OLZQOJSTPFZZSQ-FXUDXRNXSA-N 2 1 362.474 0.245 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001096106217 1218047191 /nfs/dbraw/zinc/04/71/91/1218047191.db2.gz OLZQOJSTPFZZSQ-FXUDXRNXSA-N 2 1 362.474 0.245 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000900867281 1218047367 /nfs/dbraw/zinc/04/73/67/1218047367.db2.gz SCYZOJALQZOIKB-DLBZAZTESA-N 2 1 367.490 0.585 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000900964973 1218063852 /nfs/dbraw/zinc/06/38/52/1218063852.db2.gz JHPBLDUOHADQIK-SJORKVTESA-N 2 1 367.490 0.442 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000900964973 1218063857 /nfs/dbraw/zinc/06/38/57/1218063857.db2.gz JHPBLDUOHADQIK-SJORKVTESA-N 2 1 367.490 0.442 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000801549606 1218128878 /nfs/dbraw/zinc/12/88/78/1218128878.db2.gz SOIYYRMEBWXGLQ-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000801549606 1218128883 /nfs/dbraw/zinc/12/88/83/1218128883.db2.gz SOIYYRMEBWXGLQ-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384869 1218137139 /nfs/dbraw/zinc/13/71/39/1218137139.db2.gz KOCRIKOEJPLYEN-JHNDHUHGSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384869 1218137143 /nfs/dbraw/zinc/13/71/43/1218137143.db2.gz KOCRIKOEJPLYEN-JHNDHUHGSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384869 1218137147 /nfs/dbraw/zinc/13/71/47/1218137147.db2.gz KOCRIKOEJPLYEN-JHNDHUHGSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384869 1218137150 /nfs/dbraw/zinc/13/71/50/1218137150.db2.gz KOCRIKOEJPLYEN-JHNDHUHGSA-N 2 1 364.490 0.889 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccccc3)C[C@@H]2O)O1 ZINC001047428819 1218143223 /nfs/dbraw/zinc/14/32/23/1218143223.db2.gz QMXCKFVDTXFJLD-XGXHKWSGSA-N 2 1 361.486 0.452 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccccc3)C[C@@H]2O)O1 ZINC001047428819 1218143227 /nfs/dbraw/zinc/14/32/27/1218143227.db2.gz QMXCKFVDTXFJLD-XGXHKWSGSA-N 2 1 361.486 0.452 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)O1 ZINC001047428819 1218143230 /nfs/dbraw/zinc/14/32/30/1218143230.db2.gz QMXCKFVDTXFJLD-XGXHKWSGSA-N 2 1 361.486 0.452 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)O1 ZINC001047428819 1218143236 /nfs/dbraw/zinc/14/32/36/1218143236.db2.gz QMXCKFVDTXFJLD-XGXHKWSGSA-N 2 1 361.486 0.452 20 0 FCADMP Cc1cc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC001096259285 1218198526 /nfs/dbraw/zinc/19/85/26/1218198526.db2.gz VUWNDCGXNDLQCQ-IAGOWNOFSA-N 2 1 360.506 0.754 20 0 FCADMP Cc1cc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)ncn1 ZINC001096259285 1218198530 /nfs/dbraw/zinc/19/85/30/1218198530.db2.gz VUWNDCGXNDLQCQ-IAGOWNOFSA-N 2 1 360.506 0.754 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cnn4ccccc34)C2)OCC1=O ZINC001277028268 1225805633 /nfs/dbraw/zinc/80/56/33/1225805633.db2.gz JXACILCINHRMBP-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001096355747 1218262431 /nfs/dbraw/zinc/26/24/31/1218262431.db2.gz BWRNZYANKVGHBR-YVSFHVDLSA-N 2 1 360.502 0.720 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]3C2)O1 ZINC001048889920 1218334708 /nfs/dbraw/zinc/33/47/08/1218334708.db2.gz BPXUDMOTPKVEPG-NRSFXHEJSA-N 2 1 361.490 0.072 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]3C2)O1 ZINC001048889920 1218334713 /nfs/dbraw/zinc/33/47/13/1218334713.db2.gz BPXUDMOTPKVEPG-NRSFXHEJSA-N 2 1 361.490 0.072 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]3C2)O1 ZINC001048889920 1218334716 /nfs/dbraw/zinc/33/47/16/1218334716.db2.gz BPXUDMOTPKVEPG-NRSFXHEJSA-N 2 1 361.490 0.072 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]3C2)O1 ZINC001048889920 1218334721 /nfs/dbraw/zinc/33/47/21/1218334721.db2.gz BPXUDMOTPKVEPG-NRSFXHEJSA-N 2 1 361.490 0.072 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891042 1218336361 /nfs/dbraw/zinc/33/63/61/1218336361.db2.gz KFPAMHVERAYKHX-DQEVTTJGSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891042 1218336366 /nfs/dbraw/zinc/33/63/66/1218336366.db2.gz KFPAMHVERAYKHX-DQEVTTJGSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891042 1218336369 /nfs/dbraw/zinc/33/63/69/1218336369.db2.gz KFPAMHVERAYKHX-DQEVTTJGSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891042 1218336373 /nfs/dbraw/zinc/33/63/73/1218336373.db2.gz KFPAMHVERAYKHX-DQEVTTJGSA-N 2 1 358.486 0.999 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4c3CCO4)C2)OCC1=O ZINC001277050855 1225814273 /nfs/dbraw/zinc/81/42/73/1225814273.db2.gz ZTWFYBVLQMZLKH-FQEVSTJZSA-N 2 1 359.470 0.986 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509174 1218430973 /nfs/dbraw/zinc/43/09/73/1218430973.db2.gz CTWQJZWZTAONET-OIISXLGYSA-N 2 1 365.522 0.757 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001096549257 1218476611 /nfs/dbraw/zinc/47/66/11/1218476611.db2.gz XCZZWOUXGPQLSM-WCVJEAGWSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001096549257 1218476615 /nfs/dbraw/zinc/47/66/15/1218476615.db2.gz XCZZWOUXGPQLSM-WCVJEAGWSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1ncncc1C[N@H+]1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001277073011 1225824491 /nfs/dbraw/zinc/82/44/91/1225824491.db2.gz XLTBFKXLYCSYTH-GOSISDBHSA-N 2 1 356.430 0.485 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741167 1218512670 /nfs/dbraw/zinc/51/26/70/1218512670.db2.gz NSAWJWYYRBOGPA-MSOLQXFVSA-N 2 1 364.534 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757139 1218516994 /nfs/dbraw/zinc/51/69/94/1218516994.db2.gz YIZCXVRKFSQMJG-RVKKMQEKSA-N 2 1 357.462 0.403 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769868 1218521181 /nfs/dbraw/zinc/52/11/81/1218521181.db2.gz QJNKAXXCCFGWFD-HLIPFELVSA-N 3 1 374.533 0.767 20 0 FCADMP Nc1cccc(C[N@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)n1 ZINC001277122912 1225841328 /nfs/dbraw/zinc/84/13/28/1225841328.db2.gz JTZDEUDCSLFVSK-SFHVURJKSA-N 2 1 356.430 0.364 20 0 FCADMP Nc1cccc(CN2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)n1 ZINC001277122912 1225841330 /nfs/dbraw/zinc/84/13/30/1225841330.db2.gz JTZDEUDCSLFVSK-SFHVURJKSA-N 2 1 356.430 0.364 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001097430367 1218808324 /nfs/dbraw/zinc/80/83/24/1218808324.db2.gz KTABDWUEEXUSMD-TVFCKZIOSA-N 2 1 373.501 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001097551261 1218817560 /nfs/dbraw/zinc/81/75/60/1218817560.db2.gz CLVOUMFAORWKCQ-FPCVCCKLSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001097551261 1218817563 /nfs/dbraw/zinc/81/75/63/1218817563.db2.gz CLVOUMFAORWKCQ-FPCVCCKLSA-N 2 1 355.446 0.692 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001097859876 1218854074 /nfs/dbraw/zinc/85/40/74/1218854074.db2.gz AZSDPWMUTNKONN-OAGGEKHMSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001097859876 1218854076 /nfs/dbraw/zinc/85/40/76/1218854076.db2.gz AZSDPWMUTNKONN-OAGGEKHMSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)C1 ZINC001097859876 1218854078 /nfs/dbraw/zinc/85/40/78/1218854078.db2.gz AZSDPWMUTNKONN-OAGGEKHMSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)C1 ZINC001097859876 1218854079 /nfs/dbraw/zinc/85/40/79/1218854079.db2.gz AZSDPWMUTNKONN-OAGGEKHMSA-N 2 1 363.506 0.465 20 0 FCADMP NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCF)CC1 ZINC001052992531 1218870460 /nfs/dbraw/zinc/87/04/60/1218870460.db2.gz MNLLWTMFPMWVNN-TWMKSMIVSA-N 2 1 366.481 0.607 20 0 FCADMP NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCF)CC1 ZINC001052992531 1218870464 /nfs/dbraw/zinc/87/04/64/1218870464.db2.gz MNLLWTMFPMWVNN-TWMKSMIVSA-N 2 1 366.481 0.607 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)/C=C/C3CC3)CC2)CC[N@H+]1C ZINC001055551416 1219077102 /nfs/dbraw/zinc/07/71/02/1219077102.db2.gz RYTUPSCCFSJYTB-CDZANEANSA-N 2 1 362.518 0.990 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227083270 1225863171 /nfs/dbraw/zinc/86/31/71/1225863171.db2.gz QQBLGJQHEJMZHB-KZNAEPCWSA-N 2 1 368.522 0.640 20 0 FCADMP CC(C)[C@@H](O)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055570727 1219082713 /nfs/dbraw/zinc/08/27/13/1219082713.db2.gz OIDDVGXQNAGGFY-DJIMGWMZSA-N 2 1 368.522 0.040 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055577848 1219085178 /nfs/dbraw/zinc/08/51/78/1219085178.db2.gz CPBYBKPVGCYDDV-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001055578215 1219085194 /nfs/dbraw/zinc/08/51/94/1219085194.db2.gz IGLJOOBAGRDZKM-NVXWUHKLSA-N 2 1 361.490 0.934 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804059677 1219112969 /nfs/dbraw/zinc/11/29/69/1219112969.db2.gz JRSASMHRRDQKBL-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804058338 1219113894 /nfs/dbraw/zinc/11/38/94/1219113894.db2.gz ZVLLLJZMCCYPEQ-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804058338 1219113897 /nfs/dbraw/zinc/11/38/97/1219113897.db2.gz ZVLLLJZMCCYPEQ-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804058338 1219113901 /nfs/dbraw/zinc/11/39/01/1219113901.db2.gz ZVLLLJZMCCYPEQ-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061174 1219117908 /nfs/dbraw/zinc/11/79/08/1219117908.db2.gz RURNQRWAGRSWHE-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070094815 1219165369 /nfs/dbraw/zinc/16/53/69/1219165369.db2.gz FFWSYFMREXVBBP-MOPGFXCFSA-N 2 1 368.485 0.958 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070094815 1219165377 /nfs/dbraw/zinc/16/53/77/1219165377.db2.gz FFWSYFMREXVBBP-MOPGFXCFSA-N 2 1 368.485 0.958 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444390 1225874905 /nfs/dbraw/zinc/87/49/05/1225874905.db2.gz QMVSXLLWHYBJSQ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444390 1225874906 /nfs/dbraw/zinc/87/49/06/1225874906.db2.gz QMVSXLLWHYBJSQ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227524913 1225878446 /nfs/dbraw/zinc/87/84/46/1225878446.db2.gz IWMDXBOZCMFODF-HZPDHXFCSA-N 2 1 365.478 0.361 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070165430 1219256749 /nfs/dbraw/zinc/25/67/49/1219256749.db2.gz OXEYHHAMXKRWDY-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070165430 1219256756 /nfs/dbraw/zinc/25/67/56/1219256756.db2.gz OXEYHHAMXKRWDY-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)on1 ZINC001070197220 1219287872 /nfs/dbraw/zinc/28/78/72/1219287872.db2.gz UIOQLTURNKSKLD-DZUCGIPZSA-N 2 1 373.461 0.456 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)on1 ZINC001070197220 1219287874 /nfs/dbraw/zinc/28/78/74/1219287874.db2.gz UIOQLTURNKSKLD-DZUCGIPZSA-N 2 1 373.461 0.456 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001070367066 1219399045 /nfs/dbraw/zinc/39/90/45/1219399045.db2.gz CAQVEJQURUMHEA-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001070367066 1219399048 /nfs/dbraw/zinc/39/90/48/1219399048.db2.gz CAQVEJQURUMHEA-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001070383809 1219407644 /nfs/dbraw/zinc/40/76/44/1219407644.db2.gz NLFLPOUBENTVIQ-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001070383809 1219407647 /nfs/dbraw/zinc/40/76/47/1219407647.db2.gz NLFLPOUBENTVIQ-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC3CC3)CC2)C1 ZINC001070382929 1219407852 /nfs/dbraw/zinc/40/78/52/1219407852.db2.gz ZPDSOORISBJRIZ-SCTDSRPQSA-N 2 1 362.518 0.824 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070475525 1219426195 /nfs/dbraw/zinc/42/61/95/1219426195.db2.gz SITRSOSJUBQJQK-QXAKKESOSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070563988 1219471681 /nfs/dbraw/zinc/47/16/81/1219471681.db2.gz OZIGPJWHIGYZJN-QILLFSRXSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070629225 1219494714 /nfs/dbraw/zinc/49/47/14/1219494714.db2.gz FQVXRFFVZWSVEK-ZACQAIPSSA-N 2 1 371.489 0.332 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277276522 1225898542 /nfs/dbraw/zinc/89/85/42/1225898542.db2.gz CNTDZQPBSYJHIV-LJQANCHMSA-N 2 1 360.458 0.854 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001277277537 1225898980 /nfs/dbraw/zinc/89/89/80/1225898980.db2.gz YMYCXNDKKSYKKZ-IBGZPJMESA-N 2 1 360.458 0.997 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001277277537 1225898981 /nfs/dbraw/zinc/89/89/81/1225898981.db2.gz YMYCXNDKKSYKKZ-IBGZPJMESA-N 2 1 360.458 0.997 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070719762 1219541630 /nfs/dbraw/zinc/54/16/30/1219541630.db2.gz BYARXBVGHCNEPD-JFIYKMOQSA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070719762 1219541631 /nfs/dbraw/zinc/54/16/31/1219541631.db2.gz BYARXBVGHCNEPD-JFIYKMOQSA-N 2 1 361.490 0.435 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071043046 1219593344 /nfs/dbraw/zinc/59/33/44/1219593344.db2.gz UBRRHRMDIIJUTD-ZACQAIPSSA-N 2 1 363.462 0.650 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071043046 1219593347 /nfs/dbraw/zinc/59/33/47/1219593347.db2.gz UBRRHRMDIIJUTD-ZACQAIPSSA-N 2 1 363.462 0.650 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC001071062373 1219598133 /nfs/dbraw/zinc/59/81/33/1219598133.db2.gz ZGZNXAXXVQQEMT-XCRHUMRWSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1)[NH+](C)C ZINC001071065003 1219598732 /nfs/dbraw/zinc/59/87/32/1219598732.db2.gz FZDPDKQWBUBECL-ZACQAIPSSA-N 2 1 365.478 0.896 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCCC2=O)C3)CC[N@H+]1C ZINC001072755001 1219621525 /nfs/dbraw/zinc/62/15/25/1219621525.db2.gz ONYPFHHDXMBJFX-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCN2CCCC2=O)C3)CC[NH+]1C ZINC001072755001 1219621527 /nfs/dbraw/zinc/62/15/27/1219621527.db2.gz ONYPFHHDXMBJFX-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCN2CCCC2=O)C3)CC[NH+]1C ZINC001072755001 1219621528 /nfs/dbraw/zinc/62/15/28/1219621528.db2.gz ONYPFHHDXMBJFX-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP COc1nccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072751900 1219622141 /nfs/dbraw/zinc/62/21/41/1219622141.db2.gz KAVHDVAWDGZKRC-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072751900 1219622145 /nfs/dbraw/zinc/62/21/45/1219622145.db2.gz KAVHDVAWDGZKRC-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072751900 1219622147 /nfs/dbraw/zinc/62/21/47/1219622147.db2.gz KAVHDVAWDGZKRC-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072751900 1219622150 /nfs/dbraw/zinc/62/21/50/1219622150.db2.gz KAVHDVAWDGZKRC-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCCCC2)C3)CC[N@H+]1C ZINC001072751737 1219622232 /nfs/dbraw/zinc/62/22/32/1219622232.db2.gz BDZUPCYDENDHHR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCCCC2)C3)CC[NH+]1C ZINC001072751737 1219622234 /nfs/dbraw/zinc/62/22/34/1219622234.db2.gz BDZUPCYDENDHHR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N2CCCCC2)C3)CC[NH+]1C ZINC001072751737 1219622237 /nfs/dbraw/zinc/62/22/37/1219622237.db2.gz BDZUPCYDENDHHR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C[N@H+]1CCO ZINC001228265826 1225905716 /nfs/dbraw/zinc/90/57/16/1225905716.db2.gz ZKEKCBODABZJMB-IXDOHACOSA-N 2 1 368.522 0.584 20 0 FCADMP Cc1ncc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001073611354 1219673787 /nfs/dbraw/zinc/67/37/87/1219673787.db2.gz UYVAPCDQAQRLKO-FHLIZLRMSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001073611354 1219673789 /nfs/dbraw/zinc/67/37/89/1219673789.db2.gz UYVAPCDQAQRLKO-FHLIZLRMSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073611354 1219673791 /nfs/dbraw/zinc/67/37/91/1219673791.db2.gz UYVAPCDQAQRLKO-FHLIZLRMSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073611354 1219673792 /nfs/dbraw/zinc/67/37/92/1219673792.db2.gz UYVAPCDQAQRLKO-FHLIZLRMSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@H+]1C ZINC001073613773 1219674039 /nfs/dbraw/zinc/67/40/39/1219674039.db2.gz MIKPGIDQEJOINU-IXDOHACOSA-N 2 1 364.494 0.216 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073613773 1219674044 /nfs/dbraw/zinc/67/40/44/1219674044.db2.gz MIKPGIDQEJOINU-IXDOHACOSA-N 2 1 364.494 0.216 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073613773 1219674047 /nfs/dbraw/zinc/67/40/47/1219674047.db2.gz MIKPGIDQEJOINU-IXDOHACOSA-N 2 1 364.494 0.216 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)ccn1 ZINC001074709524 1219717724 /nfs/dbraw/zinc/71/77/24/1219717724.db2.gz GDBUNFVYJVEERU-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)ccn1 ZINC001074709524 1219717726 /nfs/dbraw/zinc/71/77/26/1219717726.db2.gz GDBUNFVYJVEERU-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098214656 1219742159 /nfs/dbraw/zinc/74/21/59/1219742159.db2.gz RINAOYZOCLXLRJ-DDBAPUKQSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001098214656 1219742162 /nfs/dbraw/zinc/74/21/62/1219742162.db2.gz RINAOYZOCLXLRJ-DDBAPUKQSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001098214656 1219742166 /nfs/dbraw/zinc/74/21/66/1219742166.db2.gz RINAOYZOCLXLRJ-DDBAPUKQSA-N 2 1 358.486 0.949 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001098224778 1219744125 /nfs/dbraw/zinc/74/41/25/1219744125.db2.gz FHOSZNZVXPRACX-FPCVCCKLSA-N 2 1 356.474 0.583 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001098410865 1219775769 /nfs/dbraw/zinc/77/57/69/1219775769.db2.gz MSDMMLPQYLWYLT-ZACQAIPSSA-N 2 1 359.474 0.926 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001098410865 1219775773 /nfs/dbraw/zinc/77/57/73/1219775773.db2.gz MSDMMLPQYLWYLT-ZACQAIPSSA-N 2 1 359.474 0.926 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001098446973 1219784319 /nfs/dbraw/zinc/78/43/19/1219784319.db2.gz UJMPZOKNDRUKGJ-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001098446973 1219784324 /nfs/dbraw/zinc/78/43/24/1219784324.db2.gz UJMPZOKNDRUKGJ-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)C1 ZINC001098446973 1219784331 /nfs/dbraw/zinc/78/43/31/1219784331.db2.gz UJMPZOKNDRUKGJ-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2cnn(C)c2)C1 ZINC001098446973 1219784334 /nfs/dbraw/zinc/78/43/34/1219784334.db2.gz UJMPZOKNDRUKGJ-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001098602664 1219805533 /nfs/dbraw/zinc/80/55/33/1219805533.db2.gz CSRNYIMQQOADQI-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001098602664 1219805534 /nfs/dbraw/zinc/80/55/34/1219805534.db2.gz CSRNYIMQQOADQI-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+]([C@@H]2CCCNC2=O)C3)C1 ZINC001099031527 1219893155 /nfs/dbraw/zinc/89/31/55/1219893155.db2.gz XQLADQPNIVTNMF-YRNRMSPPSA-N 2 1 362.518 0.968 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCCNC2=O)C3)C1 ZINC001099031527 1219893157 /nfs/dbraw/zinc/89/31/57/1219893157.db2.gz XQLADQPNIVTNMF-YRNRMSPPSA-N 2 1 362.518 0.968 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCCNC2=O)C3)C1 ZINC001099031527 1219893159 /nfs/dbraw/zinc/89/31/59/1219893159.db2.gz XQLADQPNIVTNMF-YRNRMSPPSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCCNC2=O)C3)CC1 ZINC001099062755 1219898628 /nfs/dbraw/zinc/89/86/28/1219898628.db2.gz DFSWXBXDGULQDX-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CC2)C3)CC1 ZINC001099062801 1219898700 /nfs/dbraw/zinc/89/87/00/1219898700.db2.gz GOPWWGVQXIDBJK-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001099119169 1219919668 /nfs/dbraw/zinc/91/96/68/1219919668.db2.gz JGEOSPFIVGFDOT-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001099119169 1219919677 /nfs/dbraw/zinc/91/96/77/1219919677.db2.gz JGEOSPFIVGFDOT-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001099119169 1219919685 /nfs/dbraw/zinc/91/96/85/1219919685.db2.gz JGEOSPFIVGFDOT-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCOCCO)O1 ZINC001099121032 1219919822 /nfs/dbraw/zinc/91/98/22/1219919822.db2.gz IBKWXLTVCAZQEZ-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCOCCO)O1 ZINC001099121032 1219919826 /nfs/dbraw/zinc/91/98/26/1219919826.db2.gz IBKWXLTVCAZQEZ-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCOCCO)O1 ZINC001099121032 1219919829 /nfs/dbraw/zinc/91/98/29/1219919829.db2.gz IBKWXLTVCAZQEZ-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCOCCO)O1 ZINC001099121032 1219919833 /nfs/dbraw/zinc/91/98/33/1219919833.db2.gz IBKWXLTVCAZQEZ-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)N1CCCC1 ZINC001099122984 1219921472 /nfs/dbraw/zinc/92/14/72/1219921472.db2.gz NWEALKUKAPRUHP-JXFKEZNVSA-N 2 1 360.502 0.675 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122910 1219921495 /nfs/dbraw/zinc/92/14/95/1219921495.db2.gz KQSQOABGQCGIDX-AVYPCKFXSA-N 2 1 360.502 0.720 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099160268 1219936102 /nfs/dbraw/zinc/93/61/02/1219936102.db2.gz NXNBRZSQKXZRJO-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099160268 1219936108 /nfs/dbraw/zinc/93/61/08/1219936108.db2.gz NXNBRZSQKXZRJO-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160268 1219936112 /nfs/dbraw/zinc/93/61/12/1219936112.db2.gz NXNBRZSQKXZRJO-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160268 1219936116 /nfs/dbraw/zinc/93/61/16/1219936116.db2.gz NXNBRZSQKXZRJO-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099279813 1219960959 /nfs/dbraw/zinc/96/09/59/1219960959.db2.gz XRNHXOKYOUFYJZ-ZWKOPEQDSA-N 2 1 369.347 0.801 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099324890 1219967499 /nfs/dbraw/zinc/96/74/99/1219967499.db2.gz FIHUOYZZCOVZOG-ZIAGYGMSSA-N 2 1 369.347 0.852 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228595383 1225935827 /nfs/dbraw/zinc/93/58/27/1225935827.db2.gz WBXLRDPQYOUZRN-RRFJBIMHSA-N 2 1 367.494 0.333 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)C2 ZINC001228604243 1225936124 /nfs/dbraw/zinc/93/61/24/1225936124.db2.gz ZHCGOJYBWMJULS-USXIJHARSA-N 2 1 361.490 0.859 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099496086 1220014137 /nfs/dbraw/zinc/01/41/37/1220014137.db2.gz ADDHHBJJYGQJED-MPGHIAIKSA-N 2 1 361.494 0.413 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268836 1220257902 /nfs/dbraw/zinc/25/79/02/1220257902.db2.gz ZAGJXSNSUPNDNQ-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268836 1220257905 /nfs/dbraw/zinc/25/79/05/1220257905.db2.gz ZAGJXSNSUPNDNQ-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268836 1220257908 /nfs/dbraw/zinc/25/79/08/1220257908.db2.gz ZAGJXSNSUPNDNQ-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394111 1220320837 /nfs/dbraw/zinc/32/08/37/1220320837.db2.gz VPCPLWQPRGBDKE-APWZRJJASA-N 2 1 361.490 0.888 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394111 1220320844 /nfs/dbraw/zinc/32/08/44/1220320844.db2.gz VPCPLWQPRGBDKE-APWZRJJASA-N 2 1 361.490 0.888 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101443511 1220347384 /nfs/dbraw/zinc/34/73/84/1220347384.db2.gz INMHZHPRSONIPM-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101443511 1220347388 /nfs/dbraw/zinc/34/73/88/1220347388.db2.gz INMHZHPRSONIPM-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101443511 1220347394 /nfs/dbraw/zinc/34/73/94/1220347394.db2.gz INMHZHPRSONIPM-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047757 1220476804 /nfs/dbraw/zinc/47/68/04/1220476804.db2.gz RXRBJOUGIDWCBT-BJZITVGISA-N 2 1 364.534 0.927 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047521 1220477490 /nfs/dbraw/zinc/47/74/90/1220477490.db2.gz KBZSPYOEXSNLAU-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047521 1220477491 /nfs/dbraw/zinc/47/74/91/1220477491.db2.gz KBZSPYOEXSNLAU-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085783 1220491402 /nfs/dbraw/zinc/49/14/02/1220491402.db2.gz AUUCXHAKJVQRQT-OAGGEKHMSA-N 2 1 368.522 0.293 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102101297 1220496567 /nfs/dbraw/zinc/49/65/67/1220496567.db2.gz WSQZJKKELYBSCD-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102101297 1220496570 /nfs/dbraw/zinc/49/65/70/1220496570.db2.gz WSQZJKKELYBSCD-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102101297 1220496579 /nfs/dbraw/zinc/49/65/79/1220496579.db2.gz WSQZJKKELYBSCD-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108325 1220499499 /nfs/dbraw/zinc/49/94/99/1220499499.db2.gz HGQNFXKPMMNRGU-IAGOWNOFSA-N 2 1 371.489 0.884 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102156141 1220527920 /nfs/dbraw/zinc/52/79/20/1220527920.db2.gz KMIMSPPYXUWUMD-DJIMGWMZSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102156141 1220527928 /nfs/dbraw/zinc/52/79/28/1220527928.db2.gz KMIMSPPYXUWUMD-DJIMGWMZSA-N 2 1 361.490 0.792 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171334 1220533096 /nfs/dbraw/zinc/53/30/96/1220533096.db2.gz RXZOPPUYYTZQSN-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171334 1220533103 /nfs/dbraw/zinc/53/31/03/1220533103.db2.gz RXZOPPUYYTZQSN-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171334 1220533111 /nfs/dbraw/zinc/53/31/11/1220533111.db2.gz RXZOPPUYYTZQSN-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001102276803 1220568727 /nfs/dbraw/zinc/56/87/27/1220568727.db2.gz WSJIWBJYGAQVCH-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001102276803 1220568732 /nfs/dbraw/zinc/56/87/32/1220568732.db2.gz WSJIWBJYGAQVCH-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001102276803 1220568736 /nfs/dbraw/zinc/56/87/36/1220568736.db2.gz WSJIWBJYGAQVCH-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287320 1220576013 /nfs/dbraw/zinc/57/60/13/1220576013.db2.gz YSVIVXXMFURIAR-HZPDHXFCSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320613 1220583134 /nfs/dbraw/zinc/58/31/34/1220583134.db2.gz LMGWLIDFFGIXBC-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102330122 1220585281 /nfs/dbraw/zinc/58/52/81/1220585281.db2.gz CTQOTDCQEMPIAI-IIDMSEBBSA-N 2 1 366.506 0.406 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001102357612 1220591233 /nfs/dbraw/zinc/59/12/33/1220591233.db2.gz CACXOCROAAWKRI-BRWVUGGUSA-N 2 1 367.538 0.816 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102419632 1220616954 /nfs/dbraw/zinc/61/69/54/1220616954.db2.gz NXKDWPFZAGJUPJ-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102419632 1220616960 /nfs/dbraw/zinc/61/69/60/1220616960.db2.gz NXKDWPFZAGJUPJ-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467091 1220636861 /nfs/dbraw/zinc/63/68/61/1220636861.db2.gz HKMTYLMJYLNEQB-HZPDHXFCSA-N 2 1 364.494 0.204 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467091 1220636864 /nfs/dbraw/zinc/63/68/64/1220636864.db2.gz HKMTYLMJYLNEQB-HZPDHXFCSA-N 2 1 364.494 0.204 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001102472013 1220642005 /nfs/dbraw/zinc/64/20/05/1220642005.db2.gz CSYSNZQSMXBTAZ-IIAWOOMASA-N 2 1 369.510 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102473645 1220643688 /nfs/dbraw/zinc/64/36/88/1220643688.db2.gz JPCSYOIXBRZXNS-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102475296 1220645015 /nfs/dbraw/zinc/64/50/15/1220645015.db2.gz HTNSEFHOKVPAKW-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513424 1220672169 /nfs/dbraw/zinc/67/21/69/1220672169.db2.gz KFBJLILOMOBBPA-BHIYHBOVSA-N 2 1 363.502 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514776 1220673535 /nfs/dbraw/zinc/67/35/35/1220673535.db2.gz NBDUCIGJWUORNG-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514776 1220673538 /nfs/dbraw/zinc/67/35/38/1220673538.db2.gz NBDUCIGJWUORNG-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514776 1220673541 /nfs/dbraw/zinc/67/35/41/1220673541.db2.gz NBDUCIGJWUORNG-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515453 1220675151 /nfs/dbraw/zinc/67/51/51/1220675151.db2.gz UQMQXQKZNULSOE-IXDOHACOSA-N 2 1 364.534 0.927 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521172 1220678305 /nfs/dbraw/zinc/67/83/05/1220678305.db2.gz VFNGHXYXMXVNFS-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102525373 1220681606 /nfs/dbraw/zinc/68/16/06/1220681606.db2.gz ZBUMGLHCZNXGTN-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102525373 1220681609 /nfs/dbraw/zinc/68/16/09/1220681609.db2.gz ZBUMGLHCZNXGTN-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102525373 1220681615 /nfs/dbraw/zinc/68/16/15/1220681615.db2.gz ZBUMGLHCZNXGTN-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525825 1220681819 /nfs/dbraw/zinc/68/18/19/1220681819.db2.gz WZGSOHMBIUBBLS-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525825 1220681822 /nfs/dbraw/zinc/68/18/22/1220681822.db2.gz WZGSOHMBIUBBLS-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525825 1220681823 /nfs/dbraw/zinc/68/18/23/1220681823.db2.gz WZGSOHMBIUBBLS-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229180886 1225986416 /nfs/dbraw/zinc/98/64/16/1225986416.db2.gz NFWRLHFLCROSMF-HUUCEWRRSA-N 2 1 369.510 0.710 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599021 1220720900 /nfs/dbraw/zinc/72/09/00/1220720900.db2.gz LIDODMSGRNEMPO-BZUAXINKSA-N 2 1 364.490 0.352 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102601837 1220722459 /nfs/dbraw/zinc/72/24/59/1220722459.db2.gz RTOWFFJZTINHGY-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102601837 1220722463 /nfs/dbraw/zinc/72/24/63/1220722463.db2.gz RTOWFFJZTINHGY-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102601837 1220722469 /nfs/dbraw/zinc/72/24/69/1220722469.db2.gz RTOWFFJZTINHGY-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782289 1220782664 /nfs/dbraw/zinc/78/26/64/1220782664.db2.gz KHJDFQZWSASICH-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102782289 1220782668 /nfs/dbraw/zinc/78/26/68/1220782668.db2.gz KHJDFQZWSASICH-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102782289 1220782670 /nfs/dbraw/zinc/78/26/70/1220782670.db2.gz KHJDFQZWSASICH-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819175 1220790577 /nfs/dbraw/zinc/79/05/77/1220790577.db2.gz OXLPCFCTLBWONJ-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819175 1220790581 /nfs/dbraw/zinc/79/05/81/1220790581.db2.gz OXLPCFCTLBWONJ-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819175 1220790585 /nfs/dbraw/zinc/79/05/85/1220790585.db2.gz OXLPCFCTLBWONJ-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819175 1220790588 /nfs/dbraw/zinc/79/05/88/1220790588.db2.gz OXLPCFCTLBWONJ-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818811 1220791312 /nfs/dbraw/zinc/79/13/12/1220791312.db2.gz IEZACTKWKKILTB-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102818811 1220791320 /nfs/dbraw/zinc/79/13/20/1220791320.db2.gz IEZACTKWKKILTB-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102818811 1220791332 /nfs/dbraw/zinc/79/13/32/1220791332.db2.gz IEZACTKWKKILTB-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102818811 1220791337 /nfs/dbraw/zinc/79/13/37/1220791337.db2.gz IEZACTKWKKILTB-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103060230 1220826349 /nfs/dbraw/zinc/82/63/49/1220826349.db2.gz BLGKJOIIGIZJSU-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103060230 1220826350 /nfs/dbraw/zinc/82/63/50/1220826350.db2.gz BLGKJOIIGIZJSU-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103060230 1220826351 /nfs/dbraw/zinc/82/63/51/1220826351.db2.gz BLGKJOIIGIZJSU-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103060230 1220826354 /nfs/dbraw/zinc/82/63/54/1220826354.db2.gz BLGKJOIIGIZJSU-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103368 1220834437 /nfs/dbraw/zinc/83/44/37/1220834437.db2.gz FXZRJLNPIOTGNM-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103368 1220834438 /nfs/dbraw/zinc/83/44/38/1220834438.db2.gz FXZRJLNPIOTGNM-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103368 1220834439 /nfs/dbraw/zinc/83/44/39/1220834439.db2.gz FXZRJLNPIOTGNM-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103368 1220834443 /nfs/dbraw/zinc/83/44/43/1220834443.db2.gz FXZRJLNPIOTGNM-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103138439 1220839175 /nfs/dbraw/zinc/83/91/75/1220839175.db2.gz LGAZUYICFOVOBY-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001103140343 1220840108 /nfs/dbraw/zinc/84/01/08/1220840108.db2.gz ZOXBXHXFWPZUDJ-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138606 1220840206 /nfs/dbraw/zinc/84/02/06/1220840206.db2.gz UHBGQZGGLSDIGV-BRSBDYLESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138606 1220840208 /nfs/dbraw/zinc/84/02/08/1220840208.db2.gz UHBGQZGGLSDIGV-BRSBDYLESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1C[NH+](CCn2cccn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103138606 1220840210 /nfs/dbraw/zinc/84/02/10/1220840210.db2.gz UHBGQZGGLSDIGV-BRSBDYLESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1C[NH+](CCn2cccn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103138606 1220840211 /nfs/dbraw/zinc/84/02/11/1220840211.db2.gz UHBGQZGGLSDIGV-BRSBDYLESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396640 1220876914 /nfs/dbraw/zinc/87/69/14/1220876914.db2.gz BSKVURHXYJRMJH-IIAWOOMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396640 1220876919 /nfs/dbraw/zinc/87/69/19/1220876919.db2.gz BSKVURHXYJRMJH-IIAWOOMASA-N 2 1 363.510 0.687 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396654 1220876980 /nfs/dbraw/zinc/87/69/80/1220876980.db2.gz CFXBLEJKYBDKPE-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396874 1220877102 /nfs/dbraw/zinc/87/71/02/1220877102.db2.gz NNMUXNYOJYWPPS-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103434009 1220882267 /nfs/dbraw/zinc/88/22/67/1220882267.db2.gz QWPXLIMMYCHSES-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103434009 1220882270 /nfs/dbraw/zinc/88/22/70/1220882270.db2.gz QWPXLIMMYCHSES-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103434009 1220882271 /nfs/dbraw/zinc/88/22/71/1220882271.db2.gz QWPXLIMMYCHSES-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001103444761 1220884910 /nfs/dbraw/zinc/88/49/10/1220884910.db2.gz IMKWBKWOJGWNHZ-NXHRZFHOSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535124 1220897588 /nfs/dbraw/zinc/89/75/88/1220897588.db2.gz CRSGVKXMZAQYKS-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535124 1220897590 /nfs/dbraw/zinc/89/75/90/1220897590.db2.gz CRSGVKXMZAQYKS-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550323 1220899966 /nfs/dbraw/zinc/89/99/66/1220899966.db2.gz KIYJZRTUGHHNRE-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550323 1220899969 /nfs/dbraw/zinc/89/99/69/1220899969.db2.gz KIYJZRTUGHHNRE-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643930 1220926298 /nfs/dbraw/zinc/92/62/98/1220926298.db2.gz XKZPHKSZOUMTIK-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647104 1220927804 /nfs/dbraw/zinc/92/78/04/1220927804.db2.gz URJHVMPZRCKECS-NVXWUHKLSA-N 2 1 362.518 0.683 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001103663450 1220933016 /nfs/dbraw/zinc/93/30/16/1220933016.db2.gz BWCXXHMIDUYLMJ-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001103663450 1220933020 /nfs/dbraw/zinc/93/30/20/1220933020.db2.gz BWCXXHMIDUYLMJ-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001103663450 1220933022 /nfs/dbraw/zinc/93/30/22/1220933022.db2.gz BWCXXHMIDUYLMJ-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001229340151 1226004795 /nfs/dbraw/zinc/00/47/95/1226004795.db2.gz IFXKRRFONSWHHI-IAGOWNOFSA-N 2 1 370.457 0.986 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723278 1220952025 /nfs/dbraw/zinc/95/20/25/1220952025.db2.gz BPWVOQJUAYGYNQ-KZNAEPCWSA-N 2 1 363.506 0.414 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103724921 1220954008 /nfs/dbraw/zinc/95/40/08/1220954008.db2.gz ZMMRHIRFGDAEJQ-GDBMZVCRSA-N 2 1 362.478 0.291 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103724921 1220954011 /nfs/dbraw/zinc/95/40/11/1220954011.db2.gz ZMMRHIRFGDAEJQ-GDBMZVCRSA-N 2 1 362.478 0.291 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742624 1220960137 /nfs/dbraw/zinc/96/01/37/1220960137.db2.gz OOTYUSKACMGFAO-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742624 1220960141 /nfs/dbraw/zinc/96/01/41/1220960141.db2.gz OOTYUSKACMGFAO-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742624 1220960145 /nfs/dbraw/zinc/96/01/45/1220960145.db2.gz OOTYUSKACMGFAO-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742624 1220960149 /nfs/dbraw/zinc/96/01/49/1220960149.db2.gz OOTYUSKACMGFAO-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033730 1221001451 /nfs/dbraw/zinc/00/14/51/1221001451.db2.gz FSTLGCGZAKCERQ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033730 1221001456 /nfs/dbraw/zinc/00/14/56/1221001456.db2.gz FSTLGCGZAKCERQ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111767271 1221097892 /nfs/dbraw/zinc/09/78/92/1221097892.db2.gz WRHBKIIVQMBHFK-BXWFABGCSA-N 2 1 368.497 0.869 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111767271 1221097898 /nfs/dbraw/zinc/09/78/98/1221097898.db2.gz WRHBKIIVQMBHFK-BXWFABGCSA-N 2 1 368.497 0.869 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C2 ZINC001111925609 1221171790 /nfs/dbraw/zinc/17/17/90/1221171790.db2.gz BAHMGSHQLKTYJI-GLJUWKHASA-N 2 1 367.494 0.143 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C2 ZINC001111925609 1221171793 /nfs/dbraw/zinc/17/17/93/1221171793.db2.gz BAHMGSHQLKTYJI-GLJUWKHASA-N 2 1 367.494 0.143 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C2 ZINC001111925609 1221171795 /nfs/dbraw/zinc/17/17/95/1221171795.db2.gz BAHMGSHQLKTYJI-GLJUWKHASA-N 2 1 367.494 0.143 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000782588196 1221173094 /nfs/dbraw/zinc/17/30/94/1221173094.db2.gz VVZJSSRNCCPBFW-IAGOWNOFSA-N 2 1 374.485 0.709 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111951139 1221182117 /nfs/dbraw/zinc/18/21/17/1221182117.db2.gz UXPIEPVKPBAZEK-DOXZYTNZSA-N 2 1 364.490 0.494 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111951139 1221182120 /nfs/dbraw/zinc/18/21/20/1221182120.db2.gz UXPIEPVKPBAZEK-DOXZYTNZSA-N 2 1 364.490 0.494 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111951139 1221182123 /nfs/dbraw/zinc/18/21/23/1221182123.db2.gz UXPIEPVKPBAZEK-DOXZYTNZSA-N 2 1 364.490 0.494 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001112359911 1221245580 /nfs/dbraw/zinc/24/55/80/1221245580.db2.gz SDABWVOVIWAJEV-YZLZLFLDSA-N 2 1 362.518 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229837838 1226037061 /nfs/dbraw/zinc/03/70/61/1226037061.db2.gz XCEVRGSJZMKZSQ-KZNAEPCWSA-N 2 1 365.522 0.993 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1F ZINC001118057119 1221701799 /nfs/dbraw/zinc/70/17/99/1221701799.db2.gz AKBQCIZCYOCLEW-UWWQBHOKSA-N 2 1 374.460 0.776 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)CC[NH2+]CC2 ZINC001118086388 1221707259 /nfs/dbraw/zinc/70/72/59/1221707259.db2.gz SJWBXJUGJKLKGQ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230279868 1226071040 /nfs/dbraw/zinc/07/10/40/1226071040.db2.gz ISXBLAHURGOWPI-RBSFLKMASA-N 2 1 369.510 0.578 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC001119035429 1221859117 /nfs/dbraw/zinc/85/91/17/1221859117.db2.gz PYOSPZLSWNSLKH-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119348365 1221902543 /nfs/dbraw/zinc/90/25/43/1221902543.db2.gz UYMNCEXSYLXYQE-BZSNNMDCSA-N 2 1 356.470 0.588 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119348366 1221902806 /nfs/dbraw/zinc/90/28/06/1221902806.db2.gz UYMNCEXSYLXYQE-SQNIBIBYSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356450 1221905102 /nfs/dbraw/zinc/90/51/02/1221905102.db2.gz HBCZECOCUNXMNE-DZJNRPSUSA-N 2 1 358.486 0.867 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)c2)CC1 ZINC001120967572 1222134871 /nfs/dbraw/zinc/13/48/71/1222134871.db2.gz NIQRVUMVYFYYCG-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)c2)CC1 ZINC001120967572 1222134872 /nfs/dbraw/zinc/13/48/72/1222134872.db2.gz NIQRVUMVYFYYCG-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC001121025082 1222140299 /nfs/dbraw/zinc/14/02/99/1222140299.db2.gz RNJDGFMPLHAPFX-MRXNPFEDSA-N 2 1 359.474 0.587 20 0 FCADMP COCCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288988 1222160020 /nfs/dbraw/zinc/16/00/20/1222160020.db2.gz NSAQSNHTDAFTOV-NYXDSXFPSA-N 2 1 369.506 0.386 20 0 FCADMP COCCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288988 1222160022 /nfs/dbraw/zinc/16/00/22/1222160022.db2.gz NSAQSNHTDAFTOV-NYXDSXFPSA-N 2 1 369.506 0.386 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122521717 1222279912 /nfs/dbraw/zinc/27/99/12/1222279912.db2.gz QLCRYRDLGRRASR-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001122586685 1222283541 /nfs/dbraw/zinc/28/35/41/1222283541.db2.gz CUGRERXIKINVQD-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP O=C1N[C@H]2C[NH+](CCCC[N@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830917430 1222486082 /nfs/dbraw/zinc/48/60/82/1222486082.db2.gz YOFDPJHUQBOSRA-SYMSYNOKSA-N 2 1 366.462 0.627 20 0 FCADMP O=C1N[C@H]2C[N@H+](CCCC[NH+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830917430 1222486093 /nfs/dbraw/zinc/48/60/93/1222486093.db2.gz YOFDPJHUQBOSRA-SYMSYNOKSA-N 2 1 366.462 0.627 20 0 FCADMP O=C1N[C@H]2C[N@@H+](CCCC[NH+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830917430 1222486096 /nfs/dbraw/zinc/48/60/96/1222486096.db2.gz YOFDPJHUQBOSRA-SYMSYNOKSA-N 2 1 366.462 0.627 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585595 1222580493 /nfs/dbraw/zinc/58/04/93/1222580493.db2.gz ICPXQZJIKBZARI-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585595 1222580497 /nfs/dbraw/zinc/58/04/97/1222580497.db2.gz ICPXQZJIKBZARI-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585595 1222580500 /nfs/dbraw/zinc/58/05/00/1222580500.db2.gz ICPXQZJIKBZARI-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585595 1222580506 /nfs/dbraw/zinc/58/05/06/1222580506.db2.gz ICPXQZJIKBZARI-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585595 1222580511 /nfs/dbraw/zinc/58/05/11/1222580511.db2.gz ICPXQZJIKBZARI-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccc(CO)o2)CC3)CC1 ZINC001140682163 1222605737 /nfs/dbraw/zinc/60/57/37/1222605737.db2.gz WWVWPLDGJFFIPH-UHFFFAOYSA-N 2 1 357.458 0.915 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(CO)o2)CC3)CC1 ZINC001140682163 1222605741 /nfs/dbraw/zinc/60/57/41/1222605741.db2.gz WWVWPLDGJFFIPH-UHFFFAOYSA-N 2 1 357.458 0.915 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974528 1222626138 /nfs/dbraw/zinc/62/61/38/1222626138.db2.gz BVZILNIDHGBIKU-SFHVURJKSA-N 2 1 374.485 0.692 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974528 1222626142 /nfs/dbraw/zinc/62/61/42/1222626142.db2.gz BVZILNIDHGBIKU-SFHVURJKSA-N 2 1 374.485 0.692 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475736 1222681509 /nfs/dbraw/zinc/68/15/09/1222681509.db2.gz JPSASEIZWPMOIE-QZTJIDSGSA-N 2 1 368.522 0.776 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@H]21 ZINC000841071561 1222806724 /nfs/dbraw/zinc/80/67/24/1222806724.db2.gz PMGSGLWTPOWRCU-RHSMWYFYSA-N 2 1 360.458 0.905 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841159440 1222810930 /nfs/dbraw/zinc/81/09/30/1222810930.db2.gz FSMFOYFZLJBGHN-MRXNPFEDSA-N 2 1 373.501 0.964 20 0 FCADMP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000841214841 1222814221 /nfs/dbraw/zinc/81/42/21/1222814221.db2.gz CYBVHWCLGIKNAG-UHFFFAOYSA-N 2 1 369.416 0.477 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000841214841 1222814222 /nfs/dbraw/zinc/81/42/22/1222814222.db2.gz CYBVHWCLGIKNAG-UHFFFAOYSA-N 2 1 369.416 0.477 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000841275809 1222817432 /nfs/dbraw/zinc/81/74/32/1222817432.db2.gz JODVCUHAECOLNN-OCCSQVGLSA-N 2 1 356.430 0.958 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000841275910 1222817484 /nfs/dbraw/zinc/81/74/84/1222817484.db2.gz JODVCUHAECOLNN-TZMCWYRMSA-N 2 1 356.430 0.958 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000841275807 1222817540 /nfs/dbraw/zinc/81/75/40/1222817540.db2.gz JODVCUHAECOLNN-GXTWGEPZSA-N 2 1 356.430 0.958 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)N1CCN(C[C@@H]3CCOC3)CC1)n2C ZINC001142251014 1222818789 /nfs/dbraw/zinc/81/87/89/1222818789.db2.gz TYACWKMNDRTBHR-AWEZNQCLSA-N 2 1 372.473 0.829 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000841931068 1222832138 /nfs/dbraw/zinc/83/21/38/1222832138.db2.gz PFZSSIDZUGBWLA-QGZVFWFLSA-N 2 1 359.474 0.294 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cn1 ZINC000842161496 1222837782 /nfs/dbraw/zinc/83/77/82/1222837782.db2.gz DRJAJTXKBNQKAC-XJKSGUPXSA-N 2 1 370.457 0.778 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164669 1222838310 /nfs/dbraw/zinc/83/83/10/1222838310.db2.gz MGYRKXULOWAKRO-ROUUACIJSA-N 2 1 374.485 0.343 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000842201034 1222840697 /nfs/dbraw/zinc/84/06/97/1222840697.db2.gz GOWQZSLUFIOYQO-FGTMMUONSA-N 2 1 356.470 0.540 20 0 FCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843354764 1222872824 /nfs/dbraw/zinc/87/28/24/1222872824.db2.gz MRMGHCKPONYITA-AWEZNQCLSA-N 2 1 367.494 0.968 20 0 FCADMP CN(C(=O)CCCCC[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000843489396 1222878858 /nfs/dbraw/zinc/87/88/58/1222878858.db2.gz MJWSGFBHBSDFFX-UHFFFAOYSA-N 2 1 367.538 0.202 20 0 FCADMP [NH3+]C1(CNC(=O)CO[C@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000843501806 1222879059 /nfs/dbraw/zinc/87/90/59/1222879059.db2.gz QUFPMWJYRLXASW-SFHVURJKSA-N 2 1 360.502 0.865 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](CCOCCO)CC1 ZINC001151137854 1222917273 /nfs/dbraw/zinc/91/72/73/1222917273.db2.gz LVSBCVLVPSKSME-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP CC[N@H+](CC(=O)NC1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446401 1222975009 /nfs/dbraw/zinc/97/50/09/1222975009.db2.gz RKQKOKYIFCNUQO-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](CC(=O)NC1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446401 1222975020 /nfs/dbraw/zinc/97/50/20/1222975020.db2.gz RKQKOKYIFCNUQO-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](CC(=O)NC1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153446401 1222975027 /nfs/dbraw/zinc/97/50/27/1222975027.db2.gz RKQKOKYIFCNUQO-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](CC(=O)NC1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153446401 1222975034 /nfs/dbraw/zinc/97/50/34/1222975034.db2.gz RKQKOKYIFCNUQO-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](CCCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001154020776 1222999101 /nfs/dbraw/zinc/99/91/01/1222999101.db2.gz OWIQRHGUDRGXAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+](CCCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020776 1222999108 /nfs/dbraw/zinc/99/91/08/1222999108.db2.gz OWIQRHGUDRGXAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](CCCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020776 1222999112 /nfs/dbraw/zinc/99/91/12/1222999112.db2.gz OWIQRHGUDRGXAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CCCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154020776 1222999115 /nfs/dbraw/zinc/99/91/15/1222999115.db2.gz OWIQRHGUDRGXAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CCCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154020776 1222999120 /nfs/dbraw/zinc/99/91/20/1222999120.db2.gz OWIQRHGUDRGXAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP COC(=O)c1nc2cnccc2c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155376786 1223033725 /nfs/dbraw/zinc/03/37/25/1223033725.db2.gz PDTAIZNBSGDUCE-CYBMUJFWSA-N 2 1 356.430 0.671 20 0 FCADMP CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155372906 1223034002 /nfs/dbraw/zinc/03/40/02/1223034002.db2.gz KXIJPVAWFCUDCA-CYBMUJFWSA-N 2 1 358.446 0.994 20 0 FCADMP COC(=O)c1ccc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc1C(=O)OC ZINC001155374118 1223034037 /nfs/dbraw/zinc/03/40/37/1223034037.db2.gz WUJOGRHZJKYEFL-CYBMUJFWSA-N 2 1 362.430 0.514 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001155381335 1223034712 /nfs/dbraw/zinc/03/47/12/1223034712.db2.gz FLFYBWQOJBJIEH-MRXNPFEDSA-N 2 1 374.489 0.245 20 0 FCADMP C(Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155596464 1223038922 /nfs/dbraw/zinc/03/89/22/1223038922.db2.gz HUZRIECSJAUWES-IFXJQAMLSA-N 2 1 374.489 0.487 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157380086 1223075300 /nfs/dbraw/zinc/07/53/00/1223075300.db2.gz UUEWUJMAPSRCGI-JKSUJKDBSA-N 2 1 367.538 0.295 20 0 FCADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)n[nH]1 ZINC001157440394 1223076498 /nfs/dbraw/zinc/07/64/98/1223076498.db2.gz VIFMMAYPEXCIGR-FZKQIMNGSA-N 2 1 353.430 0.671 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)COC1(C)C ZINC001157507972 1223077987 /nfs/dbraw/zinc/07/79/87/1223077987.db2.gz NAPYSCBYVDUSNW-XIRDDKMYSA-N 2 1 374.485 0.812 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000246564030 1223080609 /nfs/dbraw/zinc/08/06/09/1223080609.db2.gz LXYZQKKZSWPHDM-OKZBNKHCSA-N 2 1 369.554 0.621 20 0 FCADMP C([C@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CCO1)[NH+]1CCCC1 ZINC001158305265 1223094457 /nfs/dbraw/zinc/09/44/57/1223094457.db2.gz GQHRZWICMYJESU-HNNXBMFYSA-N 2 1 374.489 0.217 20 0 FCADMP COc1ccnc(O[C@H]2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)n1 ZINC001158438117 1223098012 /nfs/dbraw/zinc/09/80/12/1223098012.db2.gz CBBZXMCXCDWPLZ-AWEZNQCLSA-N 2 1 371.445 0.860 20 0 FCADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158564314 1223102413 /nfs/dbraw/zinc/10/24/13/1223102413.db2.gz FKTGJWIXBCLJJS-BEFAXECRSA-N 2 1 352.442 0.601 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210731 1223120534 /nfs/dbraw/zinc/12/05/34/1223120534.db2.gz UOPPIHSXMKEBHA-RCCFBDPRSA-N 2 1 360.458 0.166 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001159411430 1223126500 /nfs/dbraw/zinc/12/65/00/1223126500.db2.gz CACYAAHOZYYTOE-FQEVSTJZSA-N 2 1 357.502 0.975 20 0 FCADMP O=C([C@@H]1COC[NH2+]1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159565971 1223129818 /nfs/dbraw/zinc/12/98/18/1223129818.db2.gz LHLQJUZQINKEKA-HNNXBMFYSA-N 2 1 368.441 0.312 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]2C ZINC001159633137 1223131746 /nfs/dbraw/zinc/13/17/46/1223131746.db2.gz GMRVPYHXTUKAPT-RHSMWYFYSA-N 3 1 362.522 0.953 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667532 1223132730 /nfs/dbraw/zinc/13/27/30/1223132730.db2.gz UXMGBROWSYVKOL-MSOLQXFVSA-N 2 1 356.470 0.883 20 0 FCADMP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664494 1223132836 /nfs/dbraw/zinc/13/28/36/1223132836.db2.gz FJXVZWWBNJXECF-MLHJIOFPSA-N 2 1 362.449 0.973 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663979 1223133050 /nfs/dbraw/zinc/13/30/50/1223133050.db2.gz BQIZCFDLZZSMRT-FGTMMUONSA-N 2 1 360.458 0.262 20 0 FCADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834568 1223137776 /nfs/dbraw/zinc/13/77/76/1223137776.db2.gz VONHCVVHGVBYTQ-CWRNSKLLSA-N 2 1 374.514 0.869 20 0 FCADMP CC(=O)OC[C@H](N)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855228 1223137901 /nfs/dbraw/zinc/13/79/01/1223137901.db2.gz JDWYXVVJQVPQEP-XIRDDKMYSA-N 2 1 365.405 0.380 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855228 1223137905 /nfs/dbraw/zinc/13/79/05/1223137905.db2.gz JDWYXVVJQVPQEP-XIRDDKMYSA-N 2 1 365.405 0.380 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159872804 1223138836 /nfs/dbraw/zinc/13/88/36/1223138836.db2.gz FONXJLQDCBICQE-IBGZPJMESA-N 2 1 374.489 0.016 20 0 FCADMP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155131 1223147156 /nfs/dbraw/zinc/14/71/56/1223147156.db2.gz DSFDJBVYARXUTF-CADBVGFASA-N 2 1 362.518 0.382 20 0 FCADMP CN(C)C(=O)CN1CCC2(CCCN2C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160391773 1223157477 /nfs/dbraw/zinc/15/74/77/1223157477.db2.gz PJHUOJRXBPBQOQ-INIZCTEOSA-N 2 1 367.538 0.378 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001160478972 1223161506 /nfs/dbraw/zinc/16/15/06/1223161506.db2.gz HBZBRSMEKWPCOX-DJIMGWMZSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001160478972 1223161507 /nfs/dbraw/zinc/16/15/07/1223161507.db2.gz HBZBRSMEKWPCOX-DJIMGWMZSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001160478972 1223161508 /nfs/dbraw/zinc/16/15/08/1223161508.db2.gz HBZBRSMEKWPCOX-DJIMGWMZSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)O1 ZINC001160478972 1223161509 /nfs/dbraw/zinc/16/15/09/1223161509.db2.gz HBZBRSMEKWPCOX-DJIMGWMZSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001160478973 1223162008 /nfs/dbraw/zinc/16/20/08/1223162008.db2.gz HBZBRSMEKWPCOX-HYVNUMGLSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCCNC3=O)CC2)O1 ZINC001160478973 1223162013 /nfs/dbraw/zinc/16/20/13/1223162013.db2.gz HBZBRSMEKWPCOX-HYVNUMGLSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+]([C@H]3CCCNC3=O)CC2)O1 ZINC001160478973 1223162019 /nfs/dbraw/zinc/16/20/19/1223162019.db2.gz HBZBRSMEKWPCOX-HYVNUMGLSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)O1 ZINC001160478973 1223162023 /nfs/dbraw/zinc/16/20/23/1223162023.db2.gz HBZBRSMEKWPCOX-HYVNUMGLSA-N 2 1 364.490 0.123 20 0 FCADMP C[NH+](C)CCCC[C@H](N)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160586104 1223165451 /nfs/dbraw/zinc/16/54/51/1223165451.db2.gz WMPCGSUBDKIOHB-INIZCTEOSA-N 2 1 373.501 0.902 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC001160603562 1223166029 /nfs/dbraw/zinc/16/60/29/1223166029.db2.gz XDHSIWCCYIIPNK-HOTGVXAUSA-N 2 1 361.490 0.917 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641051 1223167402 /nfs/dbraw/zinc/16/74/02/1223167402.db2.gz VLQCHGNWHSURST-IAGOWNOFSA-N 2 1 370.453 0.371 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641051 1223167405 /nfs/dbraw/zinc/16/74/05/1223167405.db2.gz VLQCHGNWHSURST-IAGOWNOFSA-N 2 1 370.453 0.371 20 0 FCADMP Cc1ccccc1NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862634 1223179221 /nfs/dbraw/zinc/17/92/21/1223179221.db2.gz SMPFLJAAPMKSRJ-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP Cc1ccccc1NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862634 1223179224 /nfs/dbraw/zinc/17/92/24/1223179224.db2.gz SMPFLJAAPMKSRJ-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc3ccccc3n2C)O1 ZINC001160862384 1223179264 /nfs/dbraw/zinc/17/92/64/1223179264.db2.gz OXDTWELXGZEETP-RHSMWYFYSA-N 2 1 359.474 0.888 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc3ccccc3n2C)O1 ZINC001160862384 1223179266 /nfs/dbraw/zinc/17/92/66/1223179266.db2.gz OXDTWELXGZEETP-RHSMWYFYSA-N 2 1 359.474 0.888 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958613 1223181633 /nfs/dbraw/zinc/18/16/33/1223181633.db2.gz BJNPBNXIXXPTBO-UNQGMJICSA-N 2 1 358.446 0.211 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958926 1223181970 /nfs/dbraw/zinc/18/19/70/1223181970.db2.gz JQTBALZWBOFLMO-BEAPCOKYSA-N 2 1 358.446 0.354 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)C[C@@H]1C ZINC001161459918 1223200254 /nfs/dbraw/zinc/20/02/54/1223200254.db2.gz ZQHIQDYEOSGWSN-RYQLBKOJSA-N 2 1 371.481 0.976 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)C[C@@H]1C ZINC001161459918 1223200256 /nfs/dbraw/zinc/20/02/56/1223200256.db2.gz ZQHIQDYEOSGWSN-RYQLBKOJSA-N 2 1 371.481 0.976 20 0 FCADMP CO[C@@H]1CN(C(=O)c2ccc(C[C@@H]([NH3+])C(=O)OC(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC001161493170 1223202983 /nfs/dbraw/zinc/20/29/83/1223202983.db2.gz FEVHNXVPONDUOC-OWCLPIDISA-N 2 1 363.458 0.696 20 0 FCADMP COCCOC1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001161572244 1223204572 /nfs/dbraw/zinc/20/45/72/1223204572.db2.gz HAIOYBRUMDBBBL-SFHVURJKSA-N 2 1 359.470 0.582 20 0 FCADMP COCCOC1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001161572244 1223204574 /nfs/dbraw/zinc/20/45/74/1223204574.db2.gz HAIOYBRUMDBBBL-SFHVURJKSA-N 2 1 359.470 0.582 20 0 FCADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162321170 1223213913 /nfs/dbraw/zinc/21/39/13/1223213913.db2.gz VDKURSBSCIXUEQ-GVDBMIGSSA-N 2 1 371.522 0.585 20 0 FCADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162321170 1223213916 /nfs/dbraw/zinc/21/39/16/1223213916.db2.gz VDKURSBSCIXUEQ-GVDBMIGSSA-N 2 1 371.522 0.585 20 0 FCADMP O=c1cc(CNc2ccc(CN3CC[NH2+]CC3)cc2)nc2n1CCC[NH2+]C2 ZINC001163117894 1223226797 /nfs/dbraw/zinc/22/67/97/1223226797.db2.gz GJXKOGUIFKVHGM-UHFFFAOYSA-N 2 1 368.485 0.754 20 0 FCADMP NC1=CC=C(C2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)[NH2+]C1 ZINC001163133172 1223227207 /nfs/dbraw/zinc/22/72/07/1223227207.db2.gz CKKKCVGLAGECPU-UHFFFAOYSA-N 3 1 355.490 0.950 20 0 FCADMP O=C(c1ccco1)N1C[C@@H]2C[C@]2(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001163629094 1223232968 /nfs/dbraw/zinc/23/29/68/1223232968.db2.gz UZEDLNHKZYYFCM-UGSOOPFHSA-N 2 1 354.414 0.806 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728756 1223255189 /nfs/dbraw/zinc/25/51/89/1223255189.db2.gz SXTUTJVIUQFLMJ-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728756 1223255192 /nfs/dbraw/zinc/25/51/92/1223255192.db2.gz SXTUTJVIUQFLMJ-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC001165727721 1223255370 /nfs/dbraw/zinc/25/53/70/1223255370.db2.gz HISIZBUEKSOCIP-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC001165727721 1223255376 /nfs/dbraw/zinc/25/53/76/1223255376.db2.gz HISIZBUEKSOCIP-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001205339134 1223320481 /nfs/dbraw/zinc/32/04/81/1223320481.db2.gz ASYKVLNHOALCKZ-GDBMZVCRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000977922661 1248675656 /nfs/dbraw/zinc/67/56/56/1248675656.db2.gz GWKQVHPHZIRSSG-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000977922661 1248675666 /nfs/dbraw/zinc/67/56/66/1248675666.db2.gz GWKQVHPHZIRSSG-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cncc(F)c1)CC2 ZINC001207020670 1223406193 /nfs/dbraw/zinc/40/61/93/1223406193.db2.gz KFVMGZFYYUVYFW-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cccc(=O)[nH]2)CC3)CC1 ZINC001207069772 1223411443 /nfs/dbraw/zinc/41/14/43/1223411443.db2.gz TZKRSHMOCNCUHK-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cccc(=O)[nH]2)CC3)CC1 ZINC001207069772 1223411444 /nfs/dbraw/zinc/41/14/44/1223411444.db2.gz TZKRSHMOCNCUHK-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCCn3c(=O)cc(CNC(=O)C4CC4)nc3C2)CC1 ZINC001207397212 1223443746 /nfs/dbraw/zinc/44/37/46/1223443746.db2.gz GFQDWPQQBDIUCT-UHFFFAOYSA-N 2 1 373.501 0.817 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435680 1223446481 /nfs/dbraw/zinc/44/64/81/1223446481.db2.gz SSSFGVGIXKRKLE-LJQANCHMSA-N 2 1 374.489 0.059 20 0 FCADMP Cn1cc(C(=O)NCc2cnc3n2CC[N@H+](CC2CC[NH2+]CC2)CC3)cn1 ZINC001207436670 1223446509 /nfs/dbraw/zinc/44/65/09/1223446509.db2.gz HHWDZDMQTVKISJ-UHFFFAOYSA-N 2 1 371.489 0.404 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001208071302 1223513386 /nfs/dbraw/zinc/51/33/86/1223513386.db2.gz ZNOGAXAXLSSHPM-BFYDXBDKSA-N 2 1 362.474 0.817 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001208071233 1223513533 /nfs/dbraw/zinc/51/35/33/1223513533.db2.gz YDWMQKVXICPTGY-QLFBSQMISA-N 2 1 363.462 0.842 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448188 1223546059 /nfs/dbraw/zinc/54/60/59/1223546059.db2.gz WXZKMKRUIXGCGI-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448188 1223546063 /nfs/dbraw/zinc/54/60/63/1223546063.db2.gz WXZKMKRUIXGCGI-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491953 1223551030 /nfs/dbraw/zinc/55/10/30/1223551030.db2.gz BCTVZHGFQXPEBK-CXAGYDPISA-N 2 1 360.462 0.963 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)CC1 ZINC001208596747 1223561032 /nfs/dbraw/zinc/56/10/32/1223561032.db2.gz XSZYCRTURZNTCQ-KRWDZBQOSA-N 2 1 363.506 0.809 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)CC1 ZINC001208596747 1223561035 /nfs/dbraw/zinc/56/10/35/1223561035.db2.gz XSZYCRTURZNTCQ-KRWDZBQOSA-N 2 1 363.506 0.809 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610629 1223562837 /nfs/dbraw/zinc/56/28/37/1223562837.db2.gz RIXDDPQJGOUTNA-VQHPVUNQSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610629 1223562838 /nfs/dbraw/zinc/56/28/38/1223562838.db2.gz RIXDDPQJGOUTNA-VQHPVUNQSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610629 1223562842 /nfs/dbraw/zinc/56/28/42/1223562842.db2.gz RIXDDPQJGOUTNA-VQHPVUNQSA-N 2 1 359.474 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208675577 1223569798 /nfs/dbraw/zinc/56/97/98/1223569798.db2.gz FAVJYKANZMGMIC-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208675577 1223569799 /nfs/dbraw/zinc/56/97/99/1223569799.db2.gz FAVJYKANZMGMIC-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208675577 1223569800 /nfs/dbraw/zinc/56/98/00/1223569800.db2.gz FAVJYKANZMGMIC-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP COC(=O)c1cccc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276589499 1223580467 /nfs/dbraw/zinc/58/04/67/1223580467.db2.gz UTJHAHZTPQWNLV-LJQANCHMSA-N 2 1 360.458 0.854 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)O1 ZINC000977953574 1248690994 /nfs/dbraw/zinc/69/09/94/1248690994.db2.gz YTIOIPDFNKGQKF-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)O1 ZINC000977953574 1248691002 /nfs/dbraw/zinc/69/10/02/1248691002.db2.gz YTIOIPDFNKGQKF-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630202 1223608668 /nfs/dbraw/zinc/60/86/68/1223608668.db2.gz MGLRCGRLTSTMKL-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209341339 1223612577 /nfs/dbraw/zinc/61/25/77/1223612577.db2.gz MIVINRKLGSGKOP-CQSZACIVSA-N 2 1 362.474 0.201 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209351329 1223612742 /nfs/dbraw/zinc/61/27/42/1223612742.db2.gz QIRVTCKHQAHXGJ-CKEIUWERSA-N 2 1 365.478 0.178 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506464 1223626703 /nfs/dbraw/zinc/62/67/03/1223626703.db2.gz LJHJQBIJPUTOSD-BHIYHBOVSA-N 2 1 361.486 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506464 1223626705 /nfs/dbraw/zinc/62/67/05/1223626705.db2.gz LJHJQBIJPUTOSD-BHIYHBOVSA-N 2 1 361.486 0.879 20 0 FCADMP Nc1ccncc1C[N@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209724476 1223643907 /nfs/dbraw/zinc/64/39/07/1223643907.db2.gz AZTMGKQPABLPQG-KFWWJZLASA-N 2 1 354.414 0.617 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209724476 1223643909 /nfs/dbraw/zinc/64/39/09/1223643909.db2.gz AZTMGKQPABLPQG-KFWWJZLASA-N 2 1 354.414 0.617 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209724476 1223643911 /nfs/dbraw/zinc/64/39/11/1223643911.db2.gz AZTMGKQPABLPQG-KFWWJZLASA-N 2 1 354.414 0.617 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321543 1223683218 /nfs/dbraw/zinc/68/32/18/1223683218.db2.gz FYZBJILSXYSUCM-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321543 1223683221 /nfs/dbraw/zinc/68/32/21/1223683221.db2.gz FYZBJILSXYSUCM-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1)C1CC1 ZINC001211191892 1223729294 /nfs/dbraw/zinc/72/92/94/1223729294.db2.gz VHZUAMGSLBORLS-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367613 1223738024 /nfs/dbraw/zinc/73/80/24/1223738024.db2.gz XNWLSAMFWIOOHG-RBSFLKMASA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367613 1223738025 /nfs/dbraw/zinc/73/80/25/1223738025.db2.gz XNWLSAMFWIOOHG-RBSFLKMASA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367613 1223738026 /nfs/dbraw/zinc/73/80/26/1223738026.db2.gz XNWLSAMFWIOOHG-RBSFLKMASA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367613 1223738027 /nfs/dbraw/zinc/73/80/27/1223738027.db2.gz XNWLSAMFWIOOHG-RBSFLKMASA-N 2 1 369.510 0.386 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444361 1223742801 /nfs/dbraw/zinc/74/28/01/1223742801.db2.gz XBDNXSULZLKOBG-BZUAXINKSA-N 2 1 364.490 0.494 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342301 1223788045 /nfs/dbraw/zinc/78/80/45/1223788045.db2.gz QFGSUNXOEITQGH-ARFHVFGLSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342301 1223788049 /nfs/dbraw/zinc/78/80/49/1223788049.db2.gz QFGSUNXOEITQGH-ARFHVFGLSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638211 1223825798 /nfs/dbraw/zinc/82/57/98/1223825798.db2.gz DANWSMRXVXOKDA-CGTJXYLNSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638545 1223826059 /nfs/dbraw/zinc/82/60/59/1223826059.db2.gz SXXSKZJHHUOTMD-CGTJXYLNSA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678247 1223831433 /nfs/dbraw/zinc/83/14/33/1223831433.db2.gz LPYUFBRGKDDKEN-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678247 1223831435 /nfs/dbraw/zinc/83/14/35/1223831435.db2.gz LPYUFBRGKDDKEN-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678247 1223831439 /nfs/dbraw/zinc/83/14/39/1223831439.db2.gz LPYUFBRGKDDKEN-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678247 1223831440 /nfs/dbraw/zinc/83/14/40/1223831440.db2.gz LPYUFBRGKDDKEN-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213676178 1223831543 /nfs/dbraw/zinc/83/15/43/1223831543.db2.gz UJAXDCLVOQCVLP-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213676178 1223831544 /nfs/dbraw/zinc/83/15/44/1223831544.db2.gz UJAXDCLVOQCVLP-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213676178 1223831546 /nfs/dbraw/zinc/83/15/46/1223831546.db2.gz UJAXDCLVOQCVLP-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213676178 1223831548 /nfs/dbraw/zinc/83/15/48/1223831548.db2.gz UJAXDCLVOQCVLP-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213857603 1223862512 /nfs/dbraw/zinc/86/25/12/1223862512.db2.gz QJQXVRMJCCABPM-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213857603 1223862514 /nfs/dbraw/zinc/86/25/14/1223862514.db2.gz QJQXVRMJCCABPM-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213857603 1223862516 /nfs/dbraw/zinc/86/25/16/1223862516.db2.gz QJQXVRMJCCABPM-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868346 1223865133 /nfs/dbraw/zinc/86/51/33/1223865133.db2.gz RTYZTNLUPMWGHK-QZTJIDSGSA-N 2 1 363.506 0.965 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916994 1223871970 /nfs/dbraw/zinc/87/19/70/1223871970.db2.gz VWQIKYQGRJIMQB-QZTJIDSGSA-N 2 1 363.506 0.920 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916994 1223871972 /nfs/dbraw/zinc/87/19/72/1223871972.db2.gz VWQIKYQGRJIMQB-QZTJIDSGSA-N 2 1 363.506 0.920 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916754 1223872008 /nfs/dbraw/zinc/87/20/08/1223872008.db2.gz IDQSGTDDWYNVLT-IAGOWNOFSA-N 2 1 366.506 0.204 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916754 1223872009 /nfs/dbraw/zinc/87/20/09/1223872009.db2.gz IDQSGTDDWYNVLT-IAGOWNOFSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001214336124 1223902415 /nfs/dbraw/zinc/90/24/15/1223902415.db2.gz UWHKXIGNFIDJCW-MGPQQGTHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001214389398 1223906987 /nfs/dbraw/zinc/90/69/87/1223906987.db2.gz XHYPNSGTIZDILZ-OLMNPRSZSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001214389398 1223906988 /nfs/dbraw/zinc/90/69/88/1223906988.db2.gz XHYPNSGTIZDILZ-OLMNPRSZSA-N 2 1 365.449 0.972 20 0 FCADMP CCCn1nnnc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164888 1248712714 /nfs/dbraw/zinc/71/27/14/1248712714.db2.gz GZZCSZGCHPQFMU-QCODTGAPSA-N 2 1 361.494 0.217 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214674408 1223931523 /nfs/dbraw/zinc/93/15/23/1223931523.db2.gz QWJWZNCOEPKHCZ-DAXOMENPSA-N 2 1 362.478 0.363 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214674408 1223931526 /nfs/dbraw/zinc/93/15/26/1223931526.db2.gz QWJWZNCOEPKHCZ-DAXOMENPSA-N 2 1 362.478 0.363 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889549 1223952341 /nfs/dbraw/zinc/95/23/41/1223952341.db2.gz MJMVPRAXCCDLMQ-BPQIPLTHSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001214996911 1223962429 /nfs/dbraw/zinc/96/24/29/1223962429.db2.gz FGZZVKLWZXZTCI-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215001338 1223962762 /nfs/dbraw/zinc/96/27/62/1223962762.db2.gz DUKMLGSEKXLANX-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001215003457 1223962824 /nfs/dbraw/zinc/96/28/24/1223962824.db2.gz DWPOWWSBHDADHV-TZMCWYRMSA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001215003445 1223963047 /nfs/dbraw/zinc/96/30/47/1223963047.db2.gz DGWJTAXSTDUOJT-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413334 1223997824 /nfs/dbraw/zinc/99/78/24/1223997824.db2.gz BYYQBHAYGCBSTJ-HUUCEWRRSA-N 2 1 363.510 0.752 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540790 1224005342 /nfs/dbraw/zinc/00/53/42/1224005342.db2.gz QCPVGTLAGSZOPY-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544301 1224005603 /nfs/dbraw/zinc/00/56/03/1224005603.db2.gz OJORXSNDOCSPQS-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215767842 1224016853 /nfs/dbraw/zinc/01/68/53/1224016853.db2.gz XZDPIERZHNOORH-CHWSQXEVSA-N 2 1 364.450 0.028 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929901 1224025258 /nfs/dbraw/zinc/02/52/58/1224025258.db2.gz KUIFWHJJBSMZMC-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934235 1224025468 /nfs/dbraw/zinc/02/54/68/1224025468.db2.gz JVPBYIGNIVLIEM-QZTJIDSGSA-N 2 1 371.522 0.588 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215939013 1224025826 /nfs/dbraw/zinc/02/58/26/1224025826.db2.gz SJVUPICRAHGPKB-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384110 1224048201 /nfs/dbraw/zinc/04/82/01/1224048201.db2.gz YGBPRRGGDXVEHG-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001216402168 1224049259 /nfs/dbraw/zinc/04/92/59/1224049259.db2.gz WFXHBXJCKFKMCW-ZIAGYGMSSA-N 2 1 366.510 0.617 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752250 1224068268 /nfs/dbraw/zinc/06/82/68/1224068268.db2.gz JBHHRVWLWSMPMB-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216853932 1224078948 /nfs/dbraw/zinc/07/89/48/1224078948.db2.gz OUXCNXARPOGFDC-SOLBZPMBSA-N 2 1 367.490 0.934 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978353232 1248731333 /nfs/dbraw/zinc/73/13/33/1248731333.db2.gz LAPQCHIILDZRDM-IDXRPEPOSA-N 2 1 361.490 0.242 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978353232 1248731342 /nfs/dbraw/zinc/73/13/42/1248731342.db2.gz LAPQCHIILDZRDM-IDXRPEPOSA-N 2 1 361.490 0.242 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978353232 1248731350 /nfs/dbraw/zinc/73/13/50/1248731350.db2.gz LAPQCHIILDZRDM-IDXRPEPOSA-N 2 1 361.490 0.242 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978353232 1248731361 /nfs/dbraw/zinc/73/13/61/1248731361.db2.gz LAPQCHIILDZRDM-IDXRPEPOSA-N 2 1 361.490 0.242 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC000985440894 1248922273 /nfs/dbraw/zinc/92/22/73/1248922273.db2.gz RVVIPHCJRAHYJY-CWRNSKLLSA-N 2 1 363.510 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC000985440894 1248922280 /nfs/dbraw/zinc/92/22/80/1248922280.db2.gz RVVIPHCJRAHYJY-CWRNSKLLSA-N 2 1 363.510 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@@H](C)c3nnnn3C)CC2)CC[NH+]1C ZINC000985440894 1248922291 /nfs/dbraw/zinc/92/22/91/1248922291.db2.gz RVVIPHCJRAHYJY-CWRNSKLLSA-N 2 1 363.510 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@@H](C)c3nnnn3C)CC2)CC[NH+]1C ZINC000985440894 1248922301 /nfs/dbraw/zinc/92/23/01/1248922301.db2.gz RVVIPHCJRAHYJY-CWRNSKLLSA-N 2 1 363.510 0.924 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986137 1245316510 /nfs/dbraw/zinc/31/65/10/1245316510.db2.gz GVDXXXVCHDHWEX-RRFJBIMHSA-N 2 1 359.426 0.096 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986137 1245316512 /nfs/dbraw/zinc/31/65/12/1245316512.db2.gz GVDXXXVCHDHWEX-RRFJBIMHSA-N 2 1 359.426 0.096 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000849056612 1245391196 /nfs/dbraw/zinc/39/11/96/1245391196.db2.gz ZRSBUUNEBXQGEX-CQSZACIVSA-N 2 1 364.494 0.839 20 0 FCADMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849111505 1245392728 /nfs/dbraw/zinc/39/27/28/1245392728.db2.gz QOJPNRUSBBVHTB-CYBMUJFWSA-N 2 1 370.498 0.212 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000891537627 1245453093 /nfs/dbraw/zinc/45/30/93/1245453093.db2.gz MABOLPGEMZIRLY-LJQANCHMSA-N 2 1 365.522 0.714 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567025 1245455772 /nfs/dbraw/zinc/45/57/72/1245455772.db2.gz UTIYBZIVACTNGE-XMTFNYHQSA-N 2 1 365.522 0.223 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000911481116 1245498586 /nfs/dbraw/zinc/49/85/86/1245498586.db2.gz SQHIYTFEVDZJEX-MRXNPFEDSA-N 2 1 359.474 0.909 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911517347 1245505051 /nfs/dbraw/zinc/50/50/51/1245505051.db2.gz SOBUPZJVCBFDGT-QZTJIDSGSA-N 2 1 372.469 0.051 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000994104449 1250194674 /nfs/dbraw/zinc/19/46/74/1250194674.db2.gz RFCGEMMCJYSTOT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000994104449 1250194679 /nfs/dbraw/zinc/19/46/79/1250194679.db2.gz RFCGEMMCJYSTOT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000922345331 1245670552 /nfs/dbraw/zinc/67/05/52/1245670552.db2.gz CXJLZPIOQDFUNA-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000922345331 1245670560 /nfs/dbraw/zinc/67/05/60/1245670560.db2.gz CXJLZPIOQDFUNA-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1(C)C ZINC000922345331 1245670570 /nfs/dbraw/zinc/67/05/70/1245670570.db2.gz CXJLZPIOQDFUNA-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518328 1245724956 /nfs/dbraw/zinc/72/49/56/1245724956.db2.gz KUVALVMBLQWZSR-YESZJQIVSA-N 2 1 358.486 0.971 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518328 1245724963 /nfs/dbraw/zinc/72/49/63/1245724963.db2.gz KUVALVMBLQWZSR-YESZJQIVSA-N 2 1 358.486 0.971 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000938038601 1245811531 /nfs/dbraw/zinc/81/15/31/1245811531.db2.gz DVQFDTLKCGOYNY-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000938038601 1245811537 /nfs/dbraw/zinc/81/15/37/1245811537.db2.gz DVQFDTLKCGOYNY-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000938870101 1245943265 /nfs/dbraw/zinc/94/32/65/1245943265.db2.gz VBPLLHRPWWYUBO-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000938870101 1245943273 /nfs/dbraw/zinc/94/32/73/1245943273.db2.gz VBPLLHRPWWYUBO-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939881009 1246183428 /nfs/dbraw/zinc/18/34/28/1246183428.db2.gz XEUUSSUWBUEEKC-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000940295446 1246266946 /nfs/dbraw/zinc/26/69/46/1246266946.db2.gz MFWKRPZJUXHZEY-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940295446 1246266952 /nfs/dbraw/zinc/26/69/52/1246266952.db2.gz MFWKRPZJUXHZEY-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)CC[N@H+]1C ZINC000941217481 1246503241 /nfs/dbraw/zinc/50/32/41/1246503241.db2.gz BWMOWXJCFUHIGZ-QBPKDAKJSA-N 2 1 373.501 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@@H]4CCOC4)C3)CC2)CC[N@H+]1C ZINC000941412481 1246607867 /nfs/dbraw/zinc/60/78/67/1246607867.db2.gz HDFUQHGUAWLECR-ZHALLVOQSA-N 2 1 364.534 0.582 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941785316 1246826496 /nfs/dbraw/zinc/82/64/96/1246826496.db2.gz DJNPRKDQSWIUGA-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942595691 1247151755 /nfs/dbraw/zinc/15/17/55/1247151755.db2.gz FKAYRPMCKCWXRT-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000942595691 1247151759 /nfs/dbraw/zinc/15/17/59/1247151759.db2.gz FKAYRPMCKCWXRT-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000942595691 1247151767 /nfs/dbraw/zinc/15/17/67/1247151767.db2.gz FKAYRPMCKCWXRT-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943592396 1247364504 /nfs/dbraw/zinc/36/45/04/1247364504.db2.gz ZWWDEGFZHNWRMH-NUEKZKHPSA-N 2 1 363.462 0.026 20 0 FCADMP CO[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943592396 1247364514 /nfs/dbraw/zinc/36/45/14/1247364514.db2.gz ZWWDEGFZHNWRMH-NUEKZKHPSA-N 2 1 363.462 0.026 20 0 FCADMP CO[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943592396 1247364527 /nfs/dbraw/zinc/36/45/27/1247364527.db2.gz ZWWDEGFZHNWRMH-NUEKZKHPSA-N 2 1 363.462 0.026 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943602338 1247366476 /nfs/dbraw/zinc/36/64/76/1247366476.db2.gz ZJIDXVPKJMRCLQ-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000943662472 1247378281 /nfs/dbraw/zinc/37/82/81/1247378281.db2.gz KZMMNZIWMDGFBU-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000943662472 1247378293 /nfs/dbraw/zinc/37/82/93/1247378293.db2.gz KZMMNZIWMDGFBU-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000943662472 1247378305 /nfs/dbraw/zinc/37/83/05/1247378305.db2.gz KZMMNZIWMDGFBU-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000943662472 1247378316 /nfs/dbraw/zinc/37/83/16/1247378316.db2.gz KZMMNZIWMDGFBU-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP CO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000945963521 1247769938 /nfs/dbraw/zinc/76/99/38/1247769938.db2.gz AZOQHOUUTVOZDG-BYNSBNAKSA-N 2 1 363.462 0.025 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnn(C)n4)C[C@H]3CC2)CC[N@H+]1C ZINC000946595132 1247907750 /nfs/dbraw/zinc/90/77/50/1247907750.db2.gz JZOAFZPKXNFDDA-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@H]3CC2)CC[NH+]1C ZINC000946595132 1247907762 /nfs/dbraw/zinc/90/77/62/1247907762.db2.gz JZOAFZPKXNFDDA-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@H]3CC2)CC[NH+]1C ZINC000946595132 1247907774 /nfs/dbraw/zinc/90/77/74/1247907774.db2.gz JZOAFZPKXNFDDA-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)CC[C@@H]3C2)C1=O ZINC000946631658 1247925890 /nfs/dbraw/zinc/92/58/90/1247925890.db2.gz SERKJIPKEDOIOB-ORDFZIBCSA-N 2 1 371.485 0.914 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631464 1247927091 /nfs/dbraw/zinc/92/70/91/1247927091.db2.gz JMWQWXNRJRBNEX-QKPAOTATSA-N 2 1 359.474 0.772 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946769554 1248000021 /nfs/dbraw/zinc/00/00/21/1248000021.db2.gz AQOIRFXHFCHHAC-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@H+]1C ZINC000946841891 1248040482 /nfs/dbraw/zinc/04/04/82/1248040482.db2.gz FJVYAKZBXFXUOM-OLMNPRSZSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000946914689 1248075060 /nfs/dbraw/zinc/07/50/60/1248075060.db2.gz YIKSGYPMPYBUKP-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000946914689 1248075068 /nfs/dbraw/zinc/07/50/68/1248075068.db2.gz YIKSGYPMPYBUKP-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946914689 1248075084 /nfs/dbraw/zinc/07/50/84/1248075084.db2.gz YIKSGYPMPYBUKP-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946914689 1248075099 /nfs/dbraw/zinc/07/50/99/1248075099.db2.gz YIKSGYPMPYBUKP-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CCC1 ZINC000972739067 1248128260 /nfs/dbraw/zinc/12/82/60/1248128260.db2.gz MTKSNNPGDKWMAO-NVXWUHKLSA-N 2 1 360.502 0.626 20 0 FCADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327929845 1265455705 /nfs/dbraw/zinc/45/57/05/1265455705.db2.gz VZDZLRJFRBSHHN-HIFRSBDPSA-N 2 1 358.450 0.113 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001327932069 1265457415 /nfs/dbraw/zinc/45/74/15/1265457415.db2.gz GFIBMMIXADQIMT-ZWKOTPCHSA-N 2 1 362.518 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC000976608403 1248289950 /nfs/dbraw/zinc/28/99/50/1248289950.db2.gz JMPFCDUSMKWHRU-FIDHJVLJSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976607647 1248290497 /nfs/dbraw/zinc/29/04/97/1248290497.db2.gz IEEDGWXDJSBXIJ-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@H]32)CC[NH+]1C ZINC000976607647 1248290507 /nfs/dbraw/zinc/29/05/07/1248290507.db2.gz IEEDGWXDJSBXIJ-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CC[NH+]1C ZINC000976607647 1248290521 /nfs/dbraw/zinc/29/05/21/1248290521.db2.gz IEEDGWXDJSBXIJ-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC000976610131 1248292221 /nfs/dbraw/zinc/29/22/21/1248292221.db2.gz PMUCLLRJSMLTMP-MNWMBMHPSA-N 2 1 362.518 0.630 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976661254 1248329433 /nfs/dbraw/zinc/32/94/33/1248329433.db2.gz VKWBRXVVHIJHKK-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976661254 1248329438 /nfs/dbraw/zinc/32/94/38/1248329438.db2.gz VKWBRXVVHIJHKK-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976661254 1248329444 /nfs/dbraw/zinc/32/94/44/1248329444.db2.gz VKWBRXVVHIJHKK-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000994334467 1250383600 /nfs/dbraw/zinc/38/36/00/1250383600.db2.gz DJMJDPIUXIHLQT-GDBMZVCRSA-N 2 1 359.474 0.498 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846672 1250707126 /nfs/dbraw/zinc/70/71/26/1250707126.db2.gz FDUZZKUNZXNOFS-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846672 1250707134 /nfs/dbraw/zinc/70/71/34/1250707134.db2.gz FDUZZKUNZXNOFS-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994846672 1250707141 /nfs/dbraw/zinc/70/71/41/1250707141.db2.gz FDUZZKUNZXNOFS-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994846672 1250707143 /nfs/dbraw/zinc/70/71/43/1250707143.db2.gz FDUZZKUNZXNOFS-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994853348 1250712670 /nfs/dbraw/zinc/71/26/70/1250712670.db2.gz YSGSPZSNLOOEBN-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994853348 1250712672 /nfs/dbraw/zinc/71/26/72/1250712672.db2.gz YSGSPZSNLOOEBN-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994853348 1250712679 /nfs/dbraw/zinc/71/26/79/1250712679.db2.gz YSGSPZSNLOOEBN-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994853348 1250712683 /nfs/dbraw/zinc/71/26/83/1250712683.db2.gz YSGSPZSNLOOEBN-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCOCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995825469 1250994970 /nfs/dbraw/zinc/99/49/70/1250994970.db2.gz NELBEZZFRDOITB-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC000995908233 1251048097 /nfs/dbraw/zinc/04/80/97/1251048097.db2.gz JUOPBVLLESJJMF-QZWWFDLISA-N 2 1 360.502 0.957 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995955109 1251090072 /nfs/dbraw/zinc/09/00/72/1251090072.db2.gz CSEKBEOGFOUJPZ-KBRIMQKVSA-N 2 1 363.506 0.774 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995955109 1251090080 /nfs/dbraw/zinc/09/00/80/1251090080.db2.gz CSEKBEOGFOUJPZ-KBRIMQKVSA-N 2 1 363.506 0.774 20 0 FCADMP CCCCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000996328092 1251317173 /nfs/dbraw/zinc/31/71/73/1251317173.db2.gz CHNRZCDKHAGJOI-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000996712403 1251420168 /nfs/dbraw/zinc/42/01/68/1251420168.db2.gz NWIRGPRIWQFVAX-RHSMWYFYSA-N 2 1 364.494 0.659 20 0 FCADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000996712403 1251420173 /nfs/dbraw/zinc/42/01/73/1251420173.db2.gz NWIRGPRIWQFVAX-RHSMWYFYSA-N 2 1 364.494 0.659 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000997096946 1251494742 /nfs/dbraw/zinc/49/47/42/1251494742.db2.gz FXXTYMDNKXJJQF-BFYDXBDKSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000997595617 1251634665 /nfs/dbraw/zinc/63/46/65/1251634665.db2.gz FXXTYMDNKXJJQF-ZMSDIMECSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)O1 ZINC000997831632 1251721803 /nfs/dbraw/zinc/72/18/03/1251721803.db2.gz MMACVFMPYURGJN-UHDSXZAQSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)O1 ZINC000997831632 1251721810 /nfs/dbraw/zinc/72/18/10/1251721810.db2.gz MMACVFMPYURGJN-UHDSXZAQSA-N 2 1 364.490 0.049 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000998792926 1251969134 /nfs/dbraw/zinc/96/91/34/1251969134.db2.gz GIZPBJFKXHEGDI-SJJHQCBESA-N 2 1 366.506 0.155 20 0 FCADMP COc1nccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984216 1252015288 /nfs/dbraw/zinc/01/52/88/1252015288.db2.gz QTPPMUNGVZDEDW-TWRYWWQQSA-N 2 1 363.462 0.283 20 0 FCADMP COc1nccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984216 1252015300 /nfs/dbraw/zinc/01/53/00/1252015300.db2.gz QTPPMUNGVZDEDW-TWRYWWQQSA-N 2 1 363.462 0.283 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000999202820 1252068893 /nfs/dbraw/zinc/06/88/93/1252068893.db2.gz YFTJDTFMNJPXRB-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@H+]1C ZINC001002237078 1252483088 /nfs/dbraw/zinc/48/30/88/1252483088.db2.gz VIVPAOGCHMOHNQ-CXAGYDPISA-N 2 1 355.442 0.863 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002241673 1252486087 /nfs/dbraw/zinc/48/60/87/1252486087.db2.gz AAZQBWGOKNSMPC-BPQIPLTHSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002241673 1252486090 /nfs/dbraw/zinc/48/60/90/1252486090.db2.gz AAZQBWGOKNSMPC-BPQIPLTHSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002241673 1252486097 /nfs/dbraw/zinc/48/60/97/1252486097.db2.gz AAZQBWGOKNSMPC-BPQIPLTHSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002248777 1252489286 /nfs/dbraw/zinc/48/92/86/1252489286.db2.gz RNJVCVJGPIWBBP-DJIMGWMZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002248777 1252489296 /nfs/dbraw/zinc/48/92/96/1252489296.db2.gz RNJVCVJGPIWBBP-DJIMGWMZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002248777 1252489302 /nfs/dbraw/zinc/48/93/02/1252489302.db2.gz RNJVCVJGPIWBBP-DJIMGWMZSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC001002258758 1252493269 /nfs/dbraw/zinc/49/32/69/1252493269.db2.gz REIHCGWHLUMMME-RCCFBDPRSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC001002529618 1252591349 /nfs/dbraw/zinc/59/13/49/1252591349.db2.gz RXXQVPKCCJSUGM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC001002529618 1252591358 /nfs/dbraw/zinc/59/13/58/1252591358.db2.gz RXXQVPKCCJSUGM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC001003137571 1252789465 /nfs/dbraw/zinc/78/94/65/1252789465.db2.gz KBPWHTLBKOKTCI-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC001003137571 1252789470 /nfs/dbraw/zinc/78/94/70/1252789470.db2.gz KBPWHTLBKOKTCI-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760442 1265677795 /nfs/dbraw/zinc/67/77/95/1265677795.db2.gz INEGNRJKBUGBJF-DLBZAZTESA-N 2 1 355.527 0.278 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001003862191 1253127726 /nfs/dbraw/zinc/12/77/26/1253127726.db2.gz HRTLOZUTHBKLSJ-WCXIOVBPSA-N 2 1 360.502 0.815 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001004360981 1253297372 /nfs/dbraw/zinc/29/73/72/1253297372.db2.gz OWNCXCBQOQWGBH-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001004360981 1253297379 /nfs/dbraw/zinc/29/73/79/1253297379.db2.gz OWNCXCBQOQWGBH-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001005414963 1253550547 /nfs/dbraw/zinc/55/05/47/1253550547.db2.gz JCBRJXOYMIEEPB-DLBZAZTESA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001005581306 1253583956 /nfs/dbraw/zinc/58/39/56/1253583956.db2.gz LXOIPUWCQZIIBY-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001005581306 1253583965 /nfs/dbraw/zinc/58/39/65/1253583965.db2.gz LXOIPUWCQZIIBY-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1)[NH+](C)C ZINC001022160592 1253792378 /nfs/dbraw/zinc/79/23/78/1253792378.db2.gz ZMHHKGUUCXSZBM-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001022174836 1253803638 /nfs/dbraw/zinc/80/36/38/1253803638.db2.gz MUOVYOKGKNLUJX-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001022174836 1253803659 /nfs/dbraw/zinc/80/36/59/1253803659.db2.gz MUOVYOKGKNLUJX-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001026917087 1253848972 /nfs/dbraw/zinc/84/89/72/1253848972.db2.gz VMJGZIUQLCQVSB-IIDMSEBBSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001026917087 1253848980 /nfs/dbraw/zinc/84/89/80/1253848980.db2.gz VMJGZIUQLCQVSB-IIDMSEBBSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC001027465191 1253855103 /nfs/dbraw/zinc/85/51/03/1253855103.db2.gz SUSSXAPQNMNRRM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC001027465191 1253855113 /nfs/dbraw/zinc/85/51/13/1253855113.db2.gz SUSSXAPQNMNRRM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCN3CCCC3=O)C2)O1 ZINC001027465191 1253855116 /nfs/dbraw/zinc/85/51/16/1253855116.db2.gz SUSSXAPQNMNRRM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)O1 ZINC001027465191 1253855122 /nfs/dbraw/zinc/85/51/22/1253855122.db2.gz SUSSXAPQNMNRRM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767316 1253870726 /nfs/dbraw/zinc/87/07/26/1253870726.db2.gz OAUQINIIWWWASW-UWWQBHOKSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767316 1253870736 /nfs/dbraw/zinc/87/07/36/1253870736.db2.gz OAUQINIIWWWASW-UWWQBHOKSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767316 1253870740 /nfs/dbraw/zinc/87/07/40/1253870740.db2.gz OAUQINIIWWWASW-UWWQBHOKSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767316 1253870748 /nfs/dbraw/zinc/87/07/48/1253870748.db2.gz OAUQINIIWWWASW-UWWQBHOKSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1cnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766822 1253872215 /nfs/dbraw/zinc/87/22/15/1253872215.db2.gz HEWRMGJHKGONCM-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766822 1253872221 /nfs/dbraw/zinc/87/22/21/1253872221.db2.gz HEWRMGJHKGONCM-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766822 1253872227 /nfs/dbraw/zinc/87/22/27/1253872227.db2.gz HEWRMGJHKGONCM-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766822 1253872233 /nfs/dbraw/zinc/87/22/33/1253872233.db2.gz HEWRMGJHKGONCM-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766823 1253872256 /nfs/dbraw/zinc/87/22/56/1253872256.db2.gz HEWRMGJHKGONCM-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766823 1253872263 /nfs/dbraw/zinc/87/22/63/1253872263.db2.gz HEWRMGJHKGONCM-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766823 1253872269 /nfs/dbraw/zinc/87/22/69/1253872269.db2.gz HEWRMGJHKGONCM-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029766823 1253872275 /nfs/dbraw/zinc/87/22/75/1253872275.db2.gz HEWRMGJHKGONCM-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001034221053 1253982481 /nfs/dbraw/zinc/98/24/81/1253982481.db2.gz YNNPNRJHISTUGP-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001034221053 1253982485 /nfs/dbraw/zinc/98/24/85/1253982485.db2.gz YNNPNRJHISTUGP-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001034221053 1253982489 /nfs/dbraw/zinc/98/24/89/1253982489.db2.gz YNNPNRJHISTUGP-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001061621413 1254194509 /nfs/dbraw/zinc/19/45/09/1254194509.db2.gz VJFFWVHEIICRRO-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001061663012 1254200154 /nfs/dbraw/zinc/20/01/54/1254200154.db2.gz FNYJJIAOCFJDCZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001061663012 1254200164 /nfs/dbraw/zinc/20/01/64/1254200164.db2.gz FNYJJIAOCFJDCZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001061663012 1254200176 /nfs/dbraw/zinc/20/01/76/1254200176.db2.gz FNYJJIAOCFJDCZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)CC)CC[N@H+]1C ZINC001061898594 1254230229 /nfs/dbraw/zinc/23/02/29/1254230229.db2.gz LCUMSNQBEPVJON-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[N@H+](C)CC)CC[NH+]1C ZINC001061898594 1254230238 /nfs/dbraw/zinc/23/02/38/1254230238.db2.gz LCUMSNQBEPVJON-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[N@@H+](C)CC)CC[NH+]1C ZINC001061898594 1254230254 /nfs/dbraw/zinc/23/02/54/1254230254.db2.gz LCUMSNQBEPVJON-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C34CC[NH+](CC3)C4)CCC2)CC[N@H+]1C ZINC001063227349 1254317942 /nfs/dbraw/zinc/31/79/42/1254317942.db2.gz NQSVURLGEFOOMR-JKSUJKDBSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001065207654 1254490159 /nfs/dbraw/zinc/49/01/59/1254490159.db2.gz UMFULHCFQDXQCE-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001065212625 1254493510 /nfs/dbraw/zinc/49/35/10/1254493510.db2.gz RCQBBMPOMXSIOJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001065212625 1254493513 /nfs/dbraw/zinc/49/35/13/1254493513.db2.gz RCQBBMPOMXSIOJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001065212625 1254493515 /nfs/dbraw/zinc/49/35/15/1254493515.db2.gz RCQBBMPOMXSIOJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001065411655 1254528479 /nfs/dbraw/zinc/52/84/79/1254528479.db2.gz YZSBZIVRAVQWPE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001065411655 1254528494 /nfs/dbraw/zinc/52/84/94/1254528494.db2.gz YZSBZIVRAVQWPE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001065411655 1254528508 /nfs/dbraw/zinc/52/85/08/1254528508.db2.gz YZSBZIVRAVQWPE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553775 1254678905 /nfs/dbraw/zinc/67/89/05/1254678905.db2.gz RXISNQHHUJUFTQ-RCCFBDPRSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553775 1254678924 /nfs/dbraw/zinc/67/89/24/1254678924.db2.gz RXISNQHHUJUFTQ-RCCFBDPRSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553775 1254678941 /nfs/dbraw/zinc/67/89/41/1254678941.db2.gz RXISNQHHUJUFTQ-RCCFBDPRSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553774 1254680184 /nfs/dbraw/zinc/68/01/84/1254680184.db2.gz RXISNQHHUJUFTQ-KZNAEPCWSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553774 1254680198 /nfs/dbraw/zinc/68/01/98/1254680198.db2.gz RXISNQHHUJUFTQ-KZNAEPCWSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077553774 1254680209 /nfs/dbraw/zinc/68/02/09/1254680209.db2.gz RXISNQHHUJUFTQ-KZNAEPCWSA-N 2 1 363.506 0.246 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC1 ZINC001077619082 1254786091 /nfs/dbraw/zinc/78/60/91/1254786091.db2.gz ZPSWORZJFNXEIF-IAGOWNOFSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC1 ZINC001077619082 1254786100 /nfs/dbraw/zinc/78/61/00/1254786100.db2.gz ZPSWORZJFNXEIF-IAGOWNOFSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001077618400 1254786983 /nfs/dbraw/zinc/78/69/83/1254786983.db2.gz HKYFUQNMLLXFRQ-FGTMMUONSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001077618400 1254787000 /nfs/dbraw/zinc/78/70/00/1254787000.db2.gz HKYFUQNMLLXFRQ-FGTMMUONSA-N 2 1 365.449 0.362 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001077685417 1254877588 /nfs/dbraw/zinc/87/75/88/1254877588.db2.gz PYIBAKCKMIHYQJ-GUDVDZBRSA-N 2 1 363.502 0.991 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777754 1254978071 /nfs/dbraw/zinc/97/80/71/1254978071.db2.gz ZJGZKQYREJUMQL-KBAYOESNSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777754 1254978075 /nfs/dbraw/zinc/97/80/75/1254978075.db2.gz ZJGZKQYREJUMQL-KBAYOESNSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818483 1255019198 /nfs/dbraw/zinc/01/91/98/1255019198.db2.gz YEFOGRULBATIMV-KFKAGJAMSA-N 2 1 371.485 0.981 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180189 1255295645 /nfs/dbraw/zinc/29/56/45/1255295645.db2.gz QKWYSKQJUSGZEL-RTBURBONSA-N 2 1 361.486 0.885 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180189 1255295646 /nfs/dbraw/zinc/29/56/46/1255295646.db2.gz QKWYSKQJUSGZEL-RTBURBONSA-N 2 1 361.486 0.885 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209987 1255326112 /nfs/dbraw/zinc/32/61/12/1255326112.db2.gz QCJFXOOGNKEAOM-QRVBRYPASA-N 2 1 361.486 0.420 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209987 1255326117 /nfs/dbraw/zinc/32/61/17/1255326117.db2.gz QCJFXOOGNKEAOM-QRVBRYPASA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209987 1255326122 /nfs/dbraw/zinc/32/61/22/1255326122.db2.gz QCJFXOOGNKEAOM-QRVBRYPASA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209987 1255326129 /nfs/dbraw/zinc/32/61/29/1255326129.db2.gz QCJFXOOGNKEAOM-QRVBRYPASA-N 2 1 361.486 0.420 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccnn3C)C2)CC[N@H+]1C ZINC001078404234 1255408419 /nfs/dbraw/zinc/40/84/19/1255408419.db2.gz WCMUBDZWYGXYGH-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccccn3)C2)O1 ZINC001078418560 1255410513 /nfs/dbraw/zinc/41/05/13/1255410513.db2.gz QUMLYNMQXPNPPL-KBAYOESNSA-N 2 1 362.474 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccccn3)C2)O1 ZINC001078418560 1255410515 /nfs/dbraw/zinc/41/05/15/1255410515.db2.gz QUMLYNMQXPNPPL-KBAYOESNSA-N 2 1 362.474 0.508 20 0 FCADMP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146775 1255459206 /nfs/dbraw/zinc/45/92/06/1255459206.db2.gz GQRADTUWTPWHBX-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146775 1255459214 /nfs/dbraw/zinc/45/92/14/1255459214.db2.gz GQRADTUWTPWHBX-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079146775 1255459217 /nfs/dbraw/zinc/45/92/17/1255459217.db2.gz GQRADTUWTPWHBX-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079211050 1255473128 /nfs/dbraw/zinc/47/31/28/1255473128.db2.gz ONAOVGXGFPQPLS-RCCFBDPRSA-N 2 1 365.449 0.423 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079211050 1255473131 /nfs/dbraw/zinc/47/31/31/1255473131.db2.gz ONAOVGXGFPQPLS-RCCFBDPRSA-N 2 1 365.449 0.423 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726389 1255586349 /nfs/dbraw/zinc/58/63/49/1255586349.db2.gz SDWHOTDPAQLJSE-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726389 1255586354 /nfs/dbraw/zinc/58/63/54/1255586354.db2.gz SDWHOTDPAQLJSE-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726389 1255586358 /nfs/dbraw/zinc/58/63/58/1255586358.db2.gz SDWHOTDPAQLJSE-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726389 1255586361 /nfs/dbraw/zinc/58/63/61/1255586361.db2.gz SDWHOTDPAQLJSE-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949097 1255677284 /nfs/dbraw/zinc/67/72/84/1255677284.db2.gz OXPPVNHLZFJSFZ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039163 1255721407 /nfs/dbraw/zinc/72/14/07/1255721407.db2.gz ZZFHKFQLUNLXAL-BRWVUGGUSA-N 2 1 361.490 0.309 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161043 1255766384 /nfs/dbraw/zinc/76/63/84/1255766384.db2.gz KFKLQXJIWXGSSH-CQNSDRIQSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161043 1255766387 /nfs/dbraw/zinc/76/63/87/1255766387.db2.gz KFKLQXJIWXGSSH-CQNSDRIQSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161043 1255766392 /nfs/dbraw/zinc/76/63/92/1255766392.db2.gz KFKLQXJIWXGSSH-CQNSDRIQSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188661 1255778880 /nfs/dbraw/zinc/77/88/80/1255778880.db2.gz OVDPVAMNWPSFHG-SUMDDJOVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779128 1256033999 /nfs/dbraw/zinc/03/39/99/1256033999.db2.gz GCHVQTKUTIFERQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779128 1256034003 /nfs/dbraw/zinc/03/40/03/1256034003.db2.gz GCHVQTKUTIFERQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779128 1256034008 /nfs/dbraw/zinc/03/40/08/1256034008.db2.gz GCHVQTKUTIFERQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779128 1256034017 /nfs/dbraw/zinc/03/40/17/1256034017.db2.gz GCHVQTKUTIFERQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080876885 1256069807 /nfs/dbraw/zinc/06/98/07/1256069807.db2.gz USHCYVNTBYCBOT-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080877629 1256070998 /nfs/dbraw/zinc/07/09/98/1256070998.db2.gz GCPAPNANWIBXQJ-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080877629 1256071005 /nfs/dbraw/zinc/07/10/05/1256071005.db2.gz GCPAPNANWIBXQJ-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080877629 1256071010 /nfs/dbraw/zinc/07/10/10/1256071010.db2.gz GCPAPNANWIBXQJ-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081125668 1256187575 /nfs/dbraw/zinc/18/75/75/1256187575.db2.gz LUHBDXHZEVATTL-FHLIZLRMSA-N 2 1 358.486 0.929 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001081125675 1256187875 /nfs/dbraw/zinc/18/78/75/1256187875.db2.gz MGIQJCAOOIBAIZ-IPMKNSEASA-N 2 1 370.497 0.943 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226710 1256211761 /nfs/dbraw/zinc/21/17/61/1256211761.db2.gz GQJIJLODYTWWAC-IXDOHACOSA-N 2 1 369.473 0.246 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226710 1256211764 /nfs/dbraw/zinc/21/17/64/1256211764.db2.gz GQJIJLODYTWWAC-IXDOHACOSA-N 2 1 369.473 0.246 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052688 1256511143 /nfs/dbraw/zinc/51/11/43/1256511143.db2.gz JFXSNAVVCDCTIT-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052688 1256511148 /nfs/dbraw/zinc/51/11/48/1256511148.db2.gz JFXSNAVVCDCTIT-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052688 1256511152 /nfs/dbraw/zinc/51/11/52/1256511152.db2.gz JFXSNAVVCDCTIT-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052688 1256511157 /nfs/dbraw/zinc/51/11/57/1256511157.db2.gz JFXSNAVVCDCTIT-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057828 1256513701 /nfs/dbraw/zinc/51/37/01/1256513701.db2.gz FRYGKKBWOSDUEQ-KZNAEPCWSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057828 1256513709 /nfs/dbraw/zinc/51/37/09/1256513709.db2.gz FRYGKKBWOSDUEQ-KZNAEPCWSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057828 1256513717 /nfs/dbraw/zinc/51/37/17/1256513717.db2.gz FRYGKKBWOSDUEQ-KZNAEPCWSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082057828 1256513720 /nfs/dbraw/zinc/51/37/20/1256513720.db2.gz FRYGKKBWOSDUEQ-KZNAEPCWSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001082199060 1256586219 /nfs/dbraw/zinc/58/62/19/1256586219.db2.gz YTPMLPBUMHFBTQ-RCCFBDPRSA-N 2 1 363.506 0.963 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001082199060 1256586222 /nfs/dbraw/zinc/58/62/22/1256586222.db2.gz YTPMLPBUMHFBTQ-RCCFBDPRSA-N 2 1 363.506 0.963 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001082200097 1256586342 /nfs/dbraw/zinc/58/63/42/1256586342.db2.gz QDXKAPUUBTZSMW-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001082200097 1256586345 /nfs/dbraw/zinc/58/63/45/1256586345.db2.gz QDXKAPUUBTZSMW-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202347 1256588143 /nfs/dbraw/zinc/58/81/43/1256588143.db2.gz UDZQUIGWTMFNCK-QZTJIDSGSA-N 2 1 363.506 0.776 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202347 1256588149 /nfs/dbraw/zinc/58/81/49/1256588149.db2.gz UDZQUIGWTMFNCK-QZTJIDSGSA-N 2 1 363.506 0.776 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370146 1256719826 /nfs/dbraw/zinc/71/98/26/1256719826.db2.gz UNIWKYKPMIKOSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370146 1256719829 /nfs/dbraw/zinc/71/98/29/1256719829.db2.gz UNIWKYKPMIKOSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082370146 1256719833 /nfs/dbraw/zinc/71/98/33/1256719833.db2.gz UNIWKYKPMIKOSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082370146 1256719838 /nfs/dbraw/zinc/71/98/38/1256719838.db2.gz UNIWKYKPMIKOSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377396 1256728475 /nfs/dbraw/zinc/72/84/75/1256728475.db2.gz ODOCJTDFHJLKSJ-GUDVDZBRSA-N 2 1 361.486 0.765 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377396 1256728479 /nfs/dbraw/zinc/72/84/79/1256728479.db2.gz ODOCJTDFHJLKSJ-GUDVDZBRSA-N 2 1 361.486 0.765 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377396 1256728486 /nfs/dbraw/zinc/72/84/86/1256728486.db2.gz ODOCJTDFHJLKSJ-GUDVDZBRSA-N 2 1 361.486 0.765 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377396 1256728491 /nfs/dbraw/zinc/72/84/91/1256728491.db2.gz ODOCJTDFHJLKSJ-GUDVDZBRSA-N 2 1 361.486 0.765 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C)c1nnnn1C ZINC001082511985 1256796937 /nfs/dbraw/zinc/79/69/37/1256796937.db2.gz CRZQBPDSYNAELR-QLFBSQMISA-N 2 1 363.510 0.972 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082544865 1256834622 /nfs/dbraw/zinc/83/46/22/1256834622.db2.gz VWSGGRBUEZDGLL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082560092 1256857005 /nfs/dbraw/zinc/85/70/05/1256857005.db2.gz ZJHQPJKIAQKFOR-MRRJBJDNSA-N 2 1 362.478 0.085 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570711 1256876993 /nfs/dbraw/zinc/87/69/93/1256876993.db2.gz WBLCIGMHGGDIRY-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570711 1256877006 /nfs/dbraw/zinc/87/70/06/1256877006.db2.gz WBLCIGMHGGDIRY-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)c1 ZINC001082590443 1256904175 /nfs/dbraw/zinc/90/41/75/1256904175.db2.gz WMQNJDSBYATEIW-DTTOXWODSA-N 2 1 362.474 0.746 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)c1 ZINC001082590443 1256904181 /nfs/dbraw/zinc/90/41/81/1256904181.db2.gz WMQNJDSBYATEIW-DTTOXWODSA-N 2 1 362.474 0.746 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1 ZINC001082646421 1256952410 /nfs/dbraw/zinc/95/24/10/1256952410.db2.gz VFLJSQXZXFCKBE-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082647353 1256952782 /nfs/dbraw/zinc/95/27/82/1256952782.db2.gz GMYJGNGAALBKRK-GDBMZVCRSA-N 2 1 359.474 0.431 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001082646696 1256952850 /nfs/dbraw/zinc/95/28/50/1256952850.db2.gz MTCDZLCYSNXBDO-KBRIMQKVSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703427 1256993862 /nfs/dbraw/zinc/99/38/62/1256993862.db2.gz TUGGGVZMAUBGJO-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703427 1256993866 /nfs/dbraw/zinc/99/38/66/1256993866.db2.gz TUGGGVZMAUBGJO-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001082719740 1257009094 /nfs/dbraw/zinc/00/90/94/1257009094.db2.gz IHWGPLMABMEYOB-GDBMZVCRSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082742073 1257020448 /nfs/dbraw/zinc/02/04/48/1257020448.db2.gz PZPZILQBUXXLHS-BFHYXJOUSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082742073 1257020455 /nfs/dbraw/zinc/02/04/55/1257020455.db2.gz PZPZILQBUXXLHS-BFHYXJOUSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082743459 1257022474 /nfs/dbraw/zinc/02/24/74/1257022474.db2.gz BYAHPMOZMINXMI-HUUCEWRRSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082743459 1257022480 /nfs/dbraw/zinc/02/24/80/1257022480.db2.gz BYAHPMOZMINXMI-HUUCEWRRSA-N 2 1 366.485 0.916 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001082797895 1257056940 /nfs/dbraw/zinc/05/69/40/1257056940.db2.gz WQTZGMWGAZITPF-MLGOLLRUSA-N 2 1 361.450 0.386 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082807490 1257065114 /nfs/dbraw/zinc/06/51/14/1257065114.db2.gz LHHMPCZYDVRUST-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082822102 1257081076 /nfs/dbraw/zinc/08/10/76/1257081076.db2.gz JZHSFLDUJAFSCS-GDBMZVCRSA-N 2 1 361.494 0.676 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933932 1257154889 /nfs/dbraw/zinc/15/48/89/1257154889.db2.gz PESVXBBETIHZOM-UNEWFSDZSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933932 1257154896 /nfs/dbraw/zinc/15/48/96/1257154896.db2.gz PESVXBBETIHZOM-UNEWFSDZSA-N 2 1 364.494 0.264 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)C1 ZINC001082934702 1257155941 /nfs/dbraw/zinc/15/59/41/1257155941.db2.gz VUBTTXXMAQLPSK-OLMNPRSZSA-N 2 1 363.506 0.657 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)C1 ZINC001082934702 1257155945 /nfs/dbraw/zinc/15/59/45/1257155945.db2.gz VUBTTXXMAQLPSK-OLMNPRSZSA-N 2 1 363.506 0.657 20 0 FCADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083082434 1257281883 /nfs/dbraw/zinc/28/18/83/1257281883.db2.gz XPYHQVZLXCNIPL-NZSAHSFTSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083082434 1257281887 /nfs/dbraw/zinc/28/18/87/1257281887.db2.gz XPYHQVZLXCNIPL-NZSAHSFTSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083082434 1257281893 /nfs/dbraw/zinc/28/18/93/1257281893.db2.gz XPYHQVZLXCNIPL-NZSAHSFTSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083083914 1257284397 /nfs/dbraw/zinc/28/43/97/1257284397.db2.gz REXYOJARLMJIEX-CEXWTWQISA-N 2 1 363.502 0.666 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083143869 1257397190 /nfs/dbraw/zinc/39/71/90/1257397190.db2.gz FHEUWOCMQGGETQ-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083143869 1257397200 /nfs/dbraw/zinc/39/72/00/1257397200.db2.gz FHEUWOCMQGGETQ-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@@H+](C)CCN1C ZINC001521342333 1266113917 /nfs/dbraw/zinc/11/39/17/1266113917.db2.gz FYYPASUKPTWLAJ-WBVHZDCISA-N 2 1 351.495 0.987 20 0 FCADMP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470235 1257461555 /nfs/dbraw/zinc/46/15/55/1257461555.db2.gz GRWPOYNTESEWPI-LZQZEXGQSA-N 2 1 371.485 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001083783215 1257530147 /nfs/dbraw/zinc/53/01/47/1257530147.db2.gz GDOXYBAKOWOOHW-XKQJLSEDSA-N 2 1 364.446 0.082 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001083783215 1257530152 /nfs/dbraw/zinc/53/01/52/1257530152.db2.gz GDOXYBAKOWOOHW-XKQJLSEDSA-N 2 1 364.446 0.082 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001521424932 1266121060 /nfs/dbraw/zinc/12/10/60/1266121060.db2.gz MVZURKQNTMLJBJ-OKILXGFUSA-N 2 1 352.479 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001521424932 1266121064 /nfs/dbraw/zinc/12/10/64/1266121064.db2.gz MVZURKQNTMLJBJ-OKILXGFUSA-N 2 1 352.479 0.889 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC1 ZINC001083833678 1257587302 /nfs/dbraw/zinc/58/73/02/1257587302.db2.gz PEKHLNRYGLDJHV-MOPGFXCFSA-N 2 1 361.486 0.572 20 0 FCADMP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851302 1257607883 /nfs/dbraw/zinc/60/78/83/1257607883.db2.gz YEFOGRULBATIMV-LZQZEXGQSA-N 2 1 371.485 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895914 1257671010 /nfs/dbraw/zinc/67/10/10/1257671010.db2.gz MCASBWQDLLMDHQ-QGTPRVQTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895914 1257671015 /nfs/dbraw/zinc/67/10/15/1257671015.db2.gz MCASBWQDLLMDHQ-QGTPRVQTSA-N 2 1 371.441 0.469 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083953584 1257743111 /nfs/dbraw/zinc/74/31/11/1257743111.db2.gz XXGZVZBIRLPUOE-OTWHNJEPSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083953584 1257743116 /nfs/dbraw/zinc/74/31/16/1257743116.db2.gz XXGZVZBIRLPUOE-OTWHNJEPSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083953584 1257743121 /nfs/dbraw/zinc/74/31/21/1257743121.db2.gz XXGZVZBIRLPUOE-OTWHNJEPSA-N 2 1 361.486 0.836 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083961969 1257753125 /nfs/dbraw/zinc/75/31/25/1257753125.db2.gz QHYFIGNUPSGLJN-AEFFLSMTSA-N 2 1 362.474 0.739 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083961969 1257753131 /nfs/dbraw/zinc/75/31/31/1257753131.db2.gz QHYFIGNUPSGLJN-AEFFLSMTSA-N 2 1 362.474 0.739 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052876 1257863265 /nfs/dbraw/zinc/86/32/65/1257863265.db2.gz KRGXWDDXCKVOCU-QRQLOZEOSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052876 1257863280 /nfs/dbraw/zinc/86/32/80/1257863280.db2.gz KRGXWDDXCKVOCU-QRQLOZEOSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052876 1257863292 /nfs/dbraw/zinc/86/32/92/1257863292.db2.gz KRGXWDDXCKVOCU-QRQLOZEOSA-N 2 1 354.454 0.848 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052948 1257865610 /nfs/dbraw/zinc/86/56/10/1257865610.db2.gz NKCKZCVZDVRNMO-KURKYZTESA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052948 1257865619 /nfs/dbraw/zinc/86/56/19/1257865619.db2.gz NKCKZCVZDVRNMO-KURKYZTESA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052948 1257865626 /nfs/dbraw/zinc/86/56/26/1257865626.db2.gz NKCKZCVZDVRNMO-KURKYZTESA-N 2 1 354.454 0.848 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056614 1257869760 /nfs/dbraw/zinc/86/97/60/1257869760.db2.gz GWABKMUCYLTXBJ-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056614 1257869765 /nfs/dbraw/zinc/86/97/65/1257869765.db2.gz GWABKMUCYLTXBJ-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056614 1257869774 /nfs/dbraw/zinc/86/97/74/1257869774.db2.gz GWABKMUCYLTXBJ-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056614 1257869781 /nfs/dbraw/zinc/86/97/81/1257869781.db2.gz GWABKMUCYLTXBJ-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058236 1257871077 /nfs/dbraw/zinc/87/10/77/1257871077.db2.gz QKWYSKQJUSGZEL-MOPGFXCFSA-N 2 1 361.486 0.885 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058236 1257871089 /nfs/dbraw/zinc/87/10/89/1257871089.db2.gz QKWYSKQJUSGZEL-MOPGFXCFSA-N 2 1 361.486 0.885 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077393 1257902669 /nfs/dbraw/zinc/90/26/69/1257902669.db2.gz SSWCNMYHLNZQCF-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077393 1257902675 /nfs/dbraw/zinc/90/26/75/1257902675.db2.gz SSWCNMYHLNZQCF-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077393 1257902686 /nfs/dbraw/zinc/90/26/86/1257902686.db2.gz SSWCNMYHLNZQCF-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077393 1257902691 /nfs/dbraw/zinc/90/26/91/1257902691.db2.gz SSWCNMYHLNZQCF-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088063 1257911867 /nfs/dbraw/zinc/91/18/67/1257911867.db2.gz OHOWREUGESYNEL-LZQZEXGQSA-N 2 1 361.486 0.950 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331135190 1266154325 /nfs/dbraw/zinc/15/43/25/1266154325.db2.gz WJALEVAWQKGVEE-OKZBNKHCSA-N 2 1 370.497 0.976 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001084349602 1258042503 /nfs/dbraw/zinc/04/25/03/1258042503.db2.gz SMEBWBMQYUYJDG-GUDVDZBRSA-N 2 1 370.497 0.760 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084389250 1258068372 /nfs/dbraw/zinc/06/83/72/1258068372.db2.gz ZBILYCAJXMDKPI-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084389250 1258068378 /nfs/dbraw/zinc/06/83/78/1258068378.db2.gz ZBILYCAJXMDKPI-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084389250 1258068386 /nfs/dbraw/zinc/06/83/86/1258068386.db2.gz ZBILYCAJXMDKPI-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084389250 1258068392 /nfs/dbraw/zinc/06/83/92/1258068392.db2.gz ZBILYCAJXMDKPI-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)n1 ZINC001084404168 1258084586 /nfs/dbraw/zinc/08/45/86/1258084586.db2.gz WGCXSAJHNOLHNE-IAGOWNOFSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)n1 ZINC001084404168 1258084593 /nfs/dbraw/zinc/08/45/93/1258084593.db2.gz WGCXSAJHNOLHNE-IAGOWNOFSA-N 2 1 360.506 0.912 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001521663519 1266160560 /nfs/dbraw/zinc/16/05/60/1266160560.db2.gz IEXRSHWBHVDFFM-ZVZYQTTQSA-N 2 1 350.507 0.951 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001084447614 1258117581 /nfs/dbraw/zinc/11/75/81/1258117581.db2.gz WJZUFENYVGHIBY-HUYLIWGRSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001084447614 1258117582 /nfs/dbraw/zinc/11/75/82/1258117582.db2.gz WJZUFENYVGHIBY-HUYLIWGRSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001084447614 1258117584 /nfs/dbraw/zinc/11/75/84/1258117584.db2.gz WJZUFENYVGHIBY-HUYLIWGRSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001084447614 1258117585 /nfs/dbraw/zinc/11/75/85/1258117585.db2.gz WJZUFENYVGHIBY-HUYLIWGRSA-N 2 1 373.497 0.931 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001331164745 1266161654 /nfs/dbraw/zinc/16/16/54/1266161654.db2.gz KBCMOOJRVLGGIK-JZXOWHBKSA-N 2 1 360.502 0.842 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001331166811 1266161665 /nfs/dbraw/zinc/16/16/65/1266161665.db2.gz MKSCYNGYYDQSTL-FGTMMUONSA-N 2 1 374.485 0.247 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484253 1258128738 /nfs/dbraw/zinc/12/87/38/1258128738.db2.gz LNRNRLDSSHZDHX-IXDOHACOSA-N 2 1 370.501 0.927 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598665 1258191147 /nfs/dbraw/zinc/19/11/47/1258191147.db2.gz ADJUYRLQIWPIEP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598665 1258191152 /nfs/dbraw/zinc/19/11/52/1258191152.db2.gz ADJUYRLQIWPIEP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598665 1258191155 /nfs/dbraw/zinc/19/11/55/1258191155.db2.gz ADJUYRLQIWPIEP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598665 1258191159 /nfs/dbraw/zinc/19/11/59/1258191159.db2.gz ADJUYRLQIWPIEP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001084607253 1258195316 /nfs/dbraw/zinc/19/53/16/1258195316.db2.gz PSAIPWGGTAPMTI-KZNAEPCWSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001084607253 1258195321 /nfs/dbraw/zinc/19/53/21/1258195321.db2.gz PSAIPWGGTAPMTI-KZNAEPCWSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC001084607253 1258195324 /nfs/dbraw/zinc/19/53/24/1258195324.db2.gz PSAIPWGGTAPMTI-KZNAEPCWSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC001084607253 1258195329 /nfs/dbraw/zinc/19/53/29/1258195329.db2.gz PSAIPWGGTAPMTI-KZNAEPCWSA-N 2 1 361.490 0.525 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001084630684 1258210231 /nfs/dbraw/zinc/21/02/31/1258210231.db2.gz QFPVDEGTDAAQOC-BRWVUGGUSA-N 2 1 358.490 0.640 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001084661026 1258224132 /nfs/dbraw/zinc/22/41/32/1258224132.db2.gz CPWMLQUYBBOYLM-ZTFGCOKTSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001084661026 1258224138 /nfs/dbraw/zinc/22/41/38/1258224138.db2.gz CPWMLQUYBBOYLM-ZTFGCOKTSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001084661026 1258224142 /nfs/dbraw/zinc/22/41/42/1258224142.db2.gz CPWMLQUYBBOYLM-ZTFGCOKTSA-N 2 1 360.506 0.912 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084663579 1258226459 /nfs/dbraw/zinc/22/64/59/1258226459.db2.gz JNKGJILPVBBAMD-CEXWTWQISA-N 2 1 370.497 0.826 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084663579 1258226462 /nfs/dbraw/zinc/22/64/62/1258226462.db2.gz JNKGJILPVBBAMD-CEXWTWQISA-N 2 1 370.497 0.826 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745179 1258284249 /nfs/dbraw/zinc/28/42/49/1258284249.db2.gz MNSAIHXHAWRJIT-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745179 1258284253 /nfs/dbraw/zinc/28/42/53/1258284253.db2.gz MNSAIHXHAWRJIT-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084766699 1258302170 /nfs/dbraw/zinc/30/21/70/1258302170.db2.gz KIYKZHMMVVPLQC-FGTMMUONSA-N 2 1 360.502 0.530 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084766699 1258302176 /nfs/dbraw/zinc/30/21/76/1258302176.db2.gz KIYKZHMMVVPLQC-FGTMMUONSA-N 2 1 360.502 0.530 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084767050 1258302726 /nfs/dbraw/zinc/30/27/26/1258302726.db2.gz DDGXWXHLNCHGKB-KZNAEPCWSA-N 2 1 362.518 0.905 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084767050 1258302737 /nfs/dbraw/zinc/30/27/37/1258302737.db2.gz DDGXWXHLNCHGKB-KZNAEPCWSA-N 2 1 362.518 0.905 20 0 FCADMP NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084777875 1258320435 /nfs/dbraw/zinc/32/04/35/1258320435.db2.gz UIDPILKGEFMLCB-QZTJIDSGSA-N 2 1 368.481 0.914 20 0 FCADMP NC(=O)c1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084777875 1258320442 /nfs/dbraw/zinc/32/04/42/1258320442.db2.gz UIDPILKGEFMLCB-QZTJIDSGSA-N 2 1 368.481 0.914 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084778233 1258320458 /nfs/dbraw/zinc/32/04/58/1258320458.db2.gz MOLSIJAPUGIIPN-HZPDHXFCSA-N 2 1 359.474 0.939 20 0 FCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084910776 1258434150 /nfs/dbraw/zinc/43/41/50/1258434150.db2.gz BMEHAKCYEPJLJY-FGTMMUONSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084910776 1258434155 /nfs/dbraw/zinc/43/41/55/1258434155.db2.gz BMEHAKCYEPJLJY-FGTMMUONSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084910776 1258434158 /nfs/dbraw/zinc/43/41/58/1258434158.db2.gz BMEHAKCYEPJLJY-FGTMMUONSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084910776 1258434166 /nfs/dbraw/zinc/43/41/66/1258434166.db2.gz BMEHAKCYEPJLJY-FGTMMUONSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033099 1258534539 /nfs/dbraw/zinc/53/45/39/1258534539.db2.gz QJBJCBALPZWXKI-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033099 1258534545 /nfs/dbraw/zinc/53/45/45/1258534545.db2.gz QJBJCBALPZWXKI-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033099 1258534550 /nfs/dbraw/zinc/53/45/50/1258534550.db2.gz QJBJCBALPZWXKI-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098284 1258591550 /nfs/dbraw/zinc/59/15/50/1258591550.db2.gz JXWDOWAPRJTMQJ-FGTMMUONSA-N 2 1 361.490 0.564 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098284 1258591557 /nfs/dbraw/zinc/59/15/57/1258591557.db2.gz JXWDOWAPRJTMQJ-FGTMMUONSA-N 2 1 361.490 0.564 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098284 1258591560 /nfs/dbraw/zinc/59/15/60/1258591560.db2.gz JXWDOWAPRJTMQJ-FGTMMUONSA-N 2 1 361.490 0.564 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098284 1258591565 /nfs/dbraw/zinc/59/15/65/1258591565.db2.gz JXWDOWAPRJTMQJ-FGTMMUONSA-N 2 1 361.490 0.564 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnnn1C ZINC001087166114 1258635379 /nfs/dbraw/zinc/63/53/79/1258635379.db2.gz ZPFHLMAQWFWLDQ-OWCLPIDISA-N 2 1 363.510 0.800 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087166114 1258635390 /nfs/dbraw/zinc/63/53/90/1258635390.db2.gz ZPFHLMAQWFWLDQ-OWCLPIDISA-N 2 1 363.510 0.800 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087166114 1258635398 /nfs/dbraw/zinc/63/53/98/1258635398.db2.gz ZPFHLMAQWFWLDQ-OWCLPIDISA-N 2 1 363.510 0.800 20 0 FCADMP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)o1 ZINC001088140448 1258652917 /nfs/dbraw/zinc/65/29/17/1258652917.db2.gz MJGCJAUMDCKULV-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)o1 ZINC001088140448 1258652920 /nfs/dbraw/zinc/65/29/20/1258652920.db2.gz MJGCJAUMDCKULV-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088164180 1258678851 /nfs/dbraw/zinc/67/88/51/1258678851.db2.gz YYCPRFGENLYUJT-MSOLQXFVSA-N 2 1 362.518 0.635 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170361 1258691106 /nfs/dbraw/zinc/69/11/06/1258691106.db2.gz OURVPTBRUFRHDR-ZACQAIPSSA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170361 1258691111 /nfs/dbraw/zinc/69/11/11/1258691111.db2.gz OURVPTBRUFRHDR-ZACQAIPSSA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170361 1258691120 /nfs/dbraw/zinc/69/11/20/1258691120.db2.gz OURVPTBRUFRHDR-ZACQAIPSSA-N 2 1 363.506 0.134 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088201620 1258724560 /nfs/dbraw/zinc/72/45/60/1258724560.db2.gz LBNNJIMJAHBKIK-MSOLQXFVSA-N 2 1 369.469 0.871 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088201620 1258724567 /nfs/dbraw/zinc/72/45/67/1258724567.db2.gz LBNNJIMJAHBKIK-MSOLQXFVSA-N 2 1 369.469 0.871 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088201139 1258724625 /nfs/dbraw/zinc/72/46/25/1258724625.db2.gz MWHWVZYNQIHJHI-KURKYZTESA-N 2 1 362.518 0.779 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208362 1258731865 /nfs/dbraw/zinc/73/18/65/1258731865.db2.gz WKNZCGWJMHPZBD-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208362 1258731870 /nfs/dbraw/zinc/73/18/70/1258731870.db2.gz WKNZCGWJMHPZBD-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208362 1258731873 /nfs/dbraw/zinc/73/18/73/1258731873.db2.gz WKNZCGWJMHPZBD-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208362 1258731876 /nfs/dbraw/zinc/73/18/76/1258731876.db2.gz WKNZCGWJMHPZBD-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208178 1258733373 /nfs/dbraw/zinc/73/33/73/1258733373.db2.gz OYBCPWXPVKNWKR-FGTMMUONSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208178 1258733377 /nfs/dbraw/zinc/73/33/77/1258733377.db2.gz OYBCPWXPVKNWKR-FGTMMUONSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208178 1258733379 /nfs/dbraw/zinc/73/33/79/1258733379.db2.gz OYBCPWXPVKNWKR-FGTMMUONSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208178 1258733382 /nfs/dbraw/zinc/73/33/82/1258733382.db2.gz OYBCPWXPVKNWKR-FGTMMUONSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211712 1258735287 /nfs/dbraw/zinc/73/52/87/1258735287.db2.gz WDEQOUVNEBOCFM-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211712 1258735291 /nfs/dbraw/zinc/73/52/91/1258735291.db2.gz WDEQOUVNEBOCFM-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211712 1258735298 /nfs/dbraw/zinc/73/52/98/1258735298.db2.gz WDEQOUVNEBOCFM-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CO[C@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001088235422 1258749177 /nfs/dbraw/zinc/74/91/77/1258749177.db2.gz RDBWYCUWZWCWLD-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CO[C@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001088235422 1258749189 /nfs/dbraw/zinc/74/91/89/1258749189.db2.gz RDBWYCUWZWCWLD-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CO[C@H]3CC[N@H+](CCO)C3)CC2)O1 ZINC001088235422 1258749195 /nfs/dbraw/zinc/74/91/95/1258749195.db2.gz RDBWYCUWZWCWLD-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CO[C@H]3CC[N@@H+](CCO)C3)CC2)O1 ZINC001088235422 1258749208 /nfs/dbraw/zinc/74/92/08/1258749208.db2.gz RDBWYCUWZWCWLD-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734656 1258822125 /nfs/dbraw/zinc/82/21/25/1258822125.db2.gz DIBVBNDGTUQJFS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734656 1258822134 /nfs/dbraw/zinc/82/21/34/1258822134.db2.gz DIBVBNDGTUQJFS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734656 1258822144 /nfs/dbraw/zinc/82/21/44/1258822144.db2.gz DIBVBNDGTUQJFS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001092757403 1258829189 /nfs/dbraw/zinc/82/91/89/1258829189.db2.gz ZNZWJEDIFDSDHS-SUYBPPKGSA-N 2 1 355.442 0.829 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331432603 1266215512 /nfs/dbraw/zinc/21/55/12/1266215512.db2.gz SCQFLIXMNQCMLJ-ZWKOTPCHSA-N 2 1 367.538 0.553 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001331454121 1266218390 /nfs/dbraw/zinc/21/83/90/1266218390.db2.gz RVYJJSFQSQEOBW-PKOBYXMFSA-N 2 1 365.522 0.178 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343367 1258908209 /nfs/dbraw/zinc/90/82/09/1258908209.db2.gz CJHCDZHTHMCIBH-XSCHDIRWSA-N 2 1 367.494 0.047 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637440 1258920417 /nfs/dbraw/zinc/92/04/17/1258920417.db2.gz PQQIUYAQJZKLTD-JYBIWHBTSA-N 2 1 367.534 0.819 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578064 1258925831 /nfs/dbraw/zinc/92/58/31/1258925831.db2.gz YPRYSFQAEGLONA-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578064 1258925836 /nfs/dbraw/zinc/92/58/36/1258925836.db2.gz YPRYSFQAEGLONA-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106715199 1258946083 /nfs/dbraw/zinc/94/60/83/1258946083.db2.gz BFGBSYITXQKZDK-HZPDHXFCSA-N 2 1 359.478 0.982 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766402 1258958865 /nfs/dbraw/zinc/95/88/65/1258958865.db2.gz IDFXPRFPSOSDOZ-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)C(C)C ZINC001106779073 1258961868 /nfs/dbraw/zinc/96/18/68/1258961868.db2.gz WFNAXNUANXHIQW-BFYDXBDKSA-N 2 1 365.526 0.761 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106906101 1258993541 /nfs/dbraw/zinc/99/35/41/1258993541.db2.gz XDBQHYNITDNIND-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001106909367 1258994300 /nfs/dbraw/zinc/99/43/00/1258994300.db2.gz GWXSPAJACIYJRL-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106910400 1258994382 /nfs/dbraw/zinc/99/43/82/1258994382.db2.gz WIUKEZDAQIGGMF-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106983123 1259010381 /nfs/dbraw/zinc/01/03/81/1259010381.db2.gz URAIEESTEMAZLZ-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106980895 1259010922 /nfs/dbraw/zinc/01/09/22/1259010922.db2.gz DCLQULWMOMIGAG-OWCLPIDISA-N 2 1 362.474 0.532 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001107039216 1259022240 /nfs/dbraw/zinc/02/22/40/1259022240.db2.gz NCTKNMHCFXUJKL-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](COCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107552060 1259114718 /nfs/dbraw/zinc/11/47/18/1259114718.db2.gz BYNURCQVWGQKDQ-FRQCXROJSA-N 2 1 366.506 0.333 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578922 1259122686 /nfs/dbraw/zinc/12/26/86/1259122686.db2.gz JKMMQMIYEGZUFL-VQIMIIECSA-N 2 1 366.506 0.206 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578922 1259122693 /nfs/dbraw/zinc/12/26/93/1259122693.db2.gz JKMMQMIYEGZUFL-VQIMIIECSA-N 2 1 366.506 0.206 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107609104 1259131749 /nfs/dbraw/zinc/13/17/49/1259131749.db2.gz CSXZKMXZVFVMJL-IEBWSBKVSA-N 2 1 363.506 0.859 20 0 FCADMP CCOCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546331 1259158218 /nfs/dbraw/zinc/15/82/18/1259158218.db2.gz UQVLTYJYRZQNLB-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCOCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546331 1259158222 /nfs/dbraw/zinc/15/82/22/1259158222.db2.gz UQVLTYJYRZQNLB-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001331603706 1266246950 /nfs/dbraw/zinc/24/69/50/1266246950.db2.gz IICHCLYYXOADIW-QAPCUYQASA-N 2 1 372.469 0.521 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001331603706 1266246955 /nfs/dbraw/zinc/24/69/55/1266246955.db2.gz IICHCLYYXOADIW-QAPCUYQASA-N 2 1 372.469 0.521 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049026 1259298670 /nfs/dbraw/zinc/29/86/70/1259298670.db2.gz OTXGZWUKWCTJDZ-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129088745 1259308541 /nfs/dbraw/zinc/30/85/41/1259308541.db2.gz BDBCTLBZEMKNNH-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129088745 1259308545 /nfs/dbraw/zinc/30/85/45/1259308545.db2.gz BDBCTLBZEMKNNH-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129088745 1259308554 /nfs/dbraw/zinc/30/85/54/1259308554.db2.gz BDBCTLBZEMKNNH-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129128606 1259322118 /nfs/dbraw/zinc/32/21/18/1259322118.db2.gz ZVFIOIMKEIGOKK-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129128606 1259322123 /nfs/dbraw/zinc/32/21/23/1259322123.db2.gz ZVFIOIMKEIGOKK-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204259 1259344476 /nfs/dbraw/zinc/34/44/76/1259344476.db2.gz BRPULPNFBGGJOP-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210314 1259345563 /nfs/dbraw/zinc/34/55/63/1259345563.db2.gz QNBQDNJJFQXMLP-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)c(C)n1 ZINC001129228369 1259349226 /nfs/dbraw/zinc/34/92/26/1259349226.db2.gz PQKKNHPRBNHQLC-MSOLQXFVSA-N 2 1 371.489 0.783 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)c(C)n1 ZINC001129228369 1259349228 /nfs/dbraw/zinc/34/92/28/1259349228.db2.gz PQKKNHPRBNHQLC-MSOLQXFVSA-N 2 1 371.489 0.783 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249370 1259375040 /nfs/dbraw/zinc/37/50/40/1259375040.db2.gz ZWSCCNNQVNUYDY-ILXRZTDVSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001130249370 1259375050 /nfs/dbraw/zinc/37/50/50/1259375050.db2.gz ZWSCCNNQVNUYDY-ILXRZTDVSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130249370 1259375062 /nfs/dbraw/zinc/37/50/62/1259375062.db2.gz ZWSCCNNQVNUYDY-ILXRZTDVSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249370 1259375072 /nfs/dbraw/zinc/37/50/72/1259375072.db2.gz ZWSCCNNQVNUYDY-ILXRZTDVSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249370 1259375075 /nfs/dbraw/zinc/37/50/75/1259375075.db2.gz ZWSCCNNQVNUYDY-ILXRZTDVSA-N 2 1 364.494 0.491 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130251124 1259375709 /nfs/dbraw/zinc/37/57/09/1259375709.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130251124 1259375715 /nfs/dbraw/zinc/37/57/15/1259375715.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130251124 1259375720 /nfs/dbraw/zinc/37/57/20/1259375720.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136664298 1259377501 /nfs/dbraw/zinc/37/75/01/1259377501.db2.gz WSMSLRBNAZFYTD-KRWDZBQOSA-N 2 1 365.522 0.618 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136664298 1259377507 /nfs/dbraw/zinc/37/75/07/1259377507.db2.gz WSMSLRBNAZFYTD-KRWDZBQOSA-N 2 1 365.522 0.618 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+](C)C[C@H](O)CO)c1C ZINC001141568093 1259379709 /nfs/dbraw/zinc/37/97/09/1259379709.db2.gz OANUDBIPOUJNKE-HNNXBMFYSA-N 2 1 354.495 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)C[C@H](O)CO)c1C ZINC001141568093 1259379712 /nfs/dbraw/zinc/37/97/12/1259379712.db2.gz OANUDBIPOUJNKE-HNNXBMFYSA-N 2 1 354.495 0.488 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCOCC3)CC2)CC[N@H+]1C ZINC001200637480 1259418780 /nfs/dbraw/zinc/41/87/80/1259418780.db2.gz UVKVOGZGWCENHM-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001200652060 1259419364 /nfs/dbraw/zinc/41/93/64/1259419364.db2.gz YHKAFQBOSZKOQZ-AEGPPILISA-N 2 1 367.494 0.141 20 0 FCADMP CC(C)OCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786979 1259419652 /nfs/dbraw/zinc/41/96/52/1259419652.db2.gz LFZPJVYVRLXXAP-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786979 1259419655 /nfs/dbraw/zinc/41/96/55/1259419655.db2.gz LFZPJVYVRLXXAP-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOC3CCC3)C2)O1 ZINC001200786269 1259419887 /nfs/dbraw/zinc/41/98/87/1259419887.db2.gz FDYOWPMPNVCKOI-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOC3CCC3)C2)O1 ZINC001200786269 1259419893 /nfs/dbraw/zinc/41/98/93/1259419893.db2.gz FDYOWPMPNVCKOI-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001200729493 1259420383 /nfs/dbraw/zinc/42/03/83/1259420383.db2.gz OCKPYRQCDRIMAK-BZUAXINKSA-N 2 1 358.446 0.617 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001212295221 1259454817 /nfs/dbraw/zinc/45/48/17/1259454817.db2.gz BRRUFKRKXURQCX-USXIJHARSA-N 2 1 367.494 0.035 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403237 1259489947 /nfs/dbraw/zinc/48/99/47/1259489947.db2.gz GKASRLIDFZXFLK-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403237 1259489953 /nfs/dbraw/zinc/48/99/53/1259489953.db2.gz GKASRLIDFZXFLK-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403237 1259489960 /nfs/dbraw/zinc/48/99/60/1259489960.db2.gz GKASRLIDFZXFLK-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410003 1259493515 /nfs/dbraw/zinc/49/35/15/1259493515.db2.gz LUYZYAUXIOXAER-KZNAEPCWSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410003 1259493519 /nfs/dbraw/zinc/49/35/19/1259493519.db2.gz LUYZYAUXIOXAER-KZNAEPCWSA-N 2 1 363.506 0.601 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409391 1259493579 /nfs/dbraw/zinc/49/35/79/1259493579.db2.gz FIKSKQNOTGIRRF-KURKYZTESA-N 2 1 363.506 0.656 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409391 1259493583 /nfs/dbraw/zinc/49/35/83/1259493583.db2.gz FIKSKQNOTGIRRF-KURKYZTESA-N 2 1 363.506 0.656 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407754 1259493985 /nfs/dbraw/zinc/49/39/85/1259493985.db2.gz DYLCTROAHCOHDN-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483122 1259520308 /nfs/dbraw/zinc/52/03/08/1259520308.db2.gz CAIFJHNWPQHXTC-RRFJBIMHSA-N 2 1 364.494 0.311 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483122 1259520311 /nfs/dbraw/zinc/52/03/11/1259520311.db2.gz CAIFJHNWPQHXTC-RRFJBIMHSA-N 2 1 364.494 0.311 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483122 1259520313 /nfs/dbraw/zinc/52/03/13/1259520313.db2.gz CAIFJHNWPQHXTC-RRFJBIMHSA-N 2 1 364.494 0.311 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483122 1259520318 /nfs/dbraw/zinc/52/03/18/1259520318.db2.gz CAIFJHNWPQHXTC-RRFJBIMHSA-N 2 1 364.494 0.311 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495626 1259525864 /nfs/dbraw/zinc/52/58/64/1259525864.db2.gz LBTMREKFOIHZII-CGTJXYLNSA-N 2 1 362.474 0.760 20 0 FCADMP c1cc(C[N@@H+]2CCCO[C@]3(CNCCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199941 1259569185 /nfs/dbraw/zinc/56/91/85/1259569185.db2.gz JWJPOHMXTHGAKA-HXUWFJFHSA-N 2 1 360.502 0.677 20 0 FCADMP c1cc(C[N@H+]2CCCO[C@]3(CNCCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199941 1259569190 /nfs/dbraw/zinc/56/91/90/1259569190.db2.gz JWJPOHMXTHGAKA-HXUWFJFHSA-N 2 1 360.502 0.677 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3cncc(N4CCC([NH3+])CC4)n3)cn2)CC1 ZINC001235915504 1259585520 /nfs/dbraw/zinc/58/55/20/1259585520.db2.gz WNQYJFNHONZZTQ-UHFFFAOYSA-N 2 1 354.462 0.613 20 0 FCADMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]1C[NH2+]CC2 ZINC001236039534 1259587938 /nfs/dbraw/zinc/58/79/38/1259587938.db2.gz XSPPHFGZTCHSBX-CRAIPNDOSA-N 2 1 356.430 0.841 20 0 FCADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1nnnn1CCC[NH+]1CCOCC1 ZINC001335344300 1259616668 /nfs/dbraw/zinc/61/66/68/1259616668.db2.gz WPNBRBCXPDZWNG-MRXNPFEDSA-N 2 1 351.499 0.706 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)c1nnnn1CCC[NH+]1CCOCC1 ZINC001335344300 1259616676 /nfs/dbraw/zinc/61/66/76/1259616676.db2.gz WPNBRBCXPDZWNG-MRXNPFEDSA-N 2 1 351.499 0.706 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245979574 1259641802 /nfs/dbraw/zinc/64/18/02/1259641802.db2.gz VUWOEIRAUURMPF-ZWQIFLOQSA-N 2 1 369.456 0.944 20 0 FCADMP OCCc1ccc(OC[C@H](O)CNC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001245986707 1259643024 /nfs/dbraw/zinc/64/30/24/1259643024.db2.gz PYHFQHSXJBIDPK-ZWKOTPCHSA-N 2 1 363.502 0.425 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001246005835 1259643533 /nfs/dbraw/zinc/64/35/33/1259643533.db2.gz POGQXHBJSWYPDG-CEXWTWQISA-N 2 1 368.472 0.611 20 0 FCADMP COC(=O)[C@@H](N)[C@@H]1CCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052920 1259646892 /nfs/dbraw/zinc/64/68/92/1259646892.db2.gz MKMSRHNVUWFSBC-ZFVVBOAOSA-N 2 1 371.428 0.408 20 0 FCADMP COC(=O)[C@@H](N)[C@@H]1CCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052920 1259646899 /nfs/dbraw/zinc/64/68/99/1259646899.db2.gz MKMSRHNVUWFSBC-ZFVVBOAOSA-N 2 1 371.428 0.408 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C3CCN(C4CC[NH2+]CC4)CC3)C[C@H](C1)N2 ZINC001246142522 1259647830 /nfs/dbraw/zinc/64/78/30/1259647830.db2.gz SCJQDMXQXTYYMU-JGAFYBCUSA-N 2 1 364.534 0.865 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CN1 ZINC001246348080 1259653275 /nfs/dbraw/zinc/65/32/75/1259653275.db2.gz ICRGCXMCMUTPDI-XWSJACJDSA-N 2 1 361.486 0.753 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CN1 ZINC001246348080 1259653281 /nfs/dbraw/zinc/65/32/81/1259653281.db2.gz ICRGCXMCMUTPDI-XWSJACJDSA-N 2 1 361.486 0.753 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246581796 1259656656 /nfs/dbraw/zinc/65/66/56/1259656656.db2.gz VFNDEXJQHZVZLZ-LUKYLMHMSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246581796 1259656664 /nfs/dbraw/zinc/65/66/64/1259656664.db2.gz VFNDEXJQHZVZLZ-LUKYLMHMSA-N 2 1 361.442 0.084 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566129 1259656987 /nfs/dbraw/zinc/65/69/87/1259656987.db2.gz FWFGBAMBHOJNDG-HZSPNIEDSA-N 2 1 362.478 0.272 20 0 FCADMP CCOC(=O)[C@@H]1CC2(CN1[C@H]1C[NH2+][C@@](CC)(C(=O)OC)C1)CC[NH2+]CC2 ZINC001246610591 1259657042 /nfs/dbraw/zinc/65/70/42/1259657042.db2.gz PSNZRKINHWHHMM-ZRGWGRIASA-N 2 1 367.490 0.677 20 0 FCADMP O=C(CN1CCC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1)OCc1ccccc1 ZINC001246635268 1259658336 /nfs/dbraw/zinc/65/83/36/1259658336.db2.gz JVSHIFZBKYVYER-NRFANRHFSA-N 2 1 372.513 0.832 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246680942 1259658602 /nfs/dbraw/zinc/65/86/02/1259658602.db2.gz XRGMLQJYUCOHHW-SFHVURJKSA-N 3 1 364.534 0.820 20 0 FCADMP O=C(Nc1cnccn1)[C@@H]1COC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246691442 1259661516 /nfs/dbraw/zinc/66/15/16/1259661516.db2.gz XHWSWRZOFHKREN-MZJLOALESA-N 2 1 357.458 0.893 20 0 FCADMP c1cncc(OCc2nnn3c2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246696472 1259662601 /nfs/dbraw/zinc/66/26/01/1259662601.db2.gz RNPAWSOECJYHHI-OAHLLOKOSA-N 2 1 369.473 0.552 20 0 FCADMP c1cncc(OCc2nnn3c2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246696472 1259662611 /nfs/dbraw/zinc/66/26/11/1259662611.db2.gz RNPAWSOECJYHHI-OAHLLOKOSA-N 2 1 369.473 0.552 20 0 FCADMP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C1CC[NH2+]CC1)CCC2 ZINC001246703165 1259664128 /nfs/dbraw/zinc/66/41/28/1259664128.db2.gz QTOAREVNXRYRSO-JXFKEZNVSA-N 2 1 372.517 0.835 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCC1 ZINC001246710680 1259665262 /nfs/dbraw/zinc/66/52/62/1259665262.db2.gz PJDCJBVIHFTJOO-BDXSIMOUSA-N 2 1 362.518 0.287 20 0 FCADMP Cc1cccc(CO[C@@H]2C[C@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)n1 ZINC001246709223 1259665310 /nfs/dbraw/zinc/66/53/10/1259665310.db2.gz QWQWXXLMCJTQPG-HSALFYBXSA-N 2 1 371.529 0.759 20 0 FCADMP Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719433 1259668058 /nfs/dbraw/zinc/66/80/58/1259668058.db2.gz GCZDXTIXXPCPSR-DNVCBOLYSA-N 2 1 372.517 0.419 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)C[NH2+]1 ZINC001246731915 1259673354 /nfs/dbraw/zinc/67/33/54/1259673354.db2.gz DWIJHXLTSAHRMX-IRXDYDNUSA-N 2 1 361.490 0.754 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C[NH2+]1 ZINC001246731915 1259673362 /nfs/dbraw/zinc/67/33/62/1259673362.db2.gz DWIJHXLTSAHRMX-IRXDYDNUSA-N 2 1 361.490 0.754 20 0 FCADMP O=C(C[C@H]1OC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NCC1CC1 ZINC001246738533 1259674410 /nfs/dbraw/zinc/67/44/10/1259674410.db2.gz MOFLDYLDGVOKNI-XMTFNYHQSA-N 2 1 362.518 0.334 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NCC1CC1 ZINC001246738788 1259674550 /nfs/dbraw/zinc/67/45/50/1259674550.db2.gz GNAOHJLPYBTWQJ-BDXSIMOUSA-N 2 1 362.518 0.191 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740574 1259674598 /nfs/dbraw/zinc/67/45/98/1259674598.db2.gz MTPOFOZSARAIMT-XEIOYGOASA-N 2 1 359.474 0.684 20 0 FCADMP CN(C)C(=O)C1CCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246746592 1259677867 /nfs/dbraw/zinc/67/78/67/1259677867.db2.gz KWTIKCCEDOHEDU-SFHVURJKSA-N 2 1 363.550 0.345 20 0 FCADMP Cc1cccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@@H]3C2=O)c1 ZINC001246750575 1259679268 /nfs/dbraw/zinc/67/92/68/1259679268.db2.gz ZCYAZHHRDAKLNO-OTWHNJEPSA-N 2 1 354.498 0.979 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748137 1259680675 /nfs/dbraw/zinc/68/06/75/1259680675.db2.gz AOXJSTJGMUTZCG-PEJOBZMASA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748137 1259680683 /nfs/dbraw/zinc/68/06/83/1259680683.db2.gz AOXJSTJGMUTZCG-PEJOBZMASA-N 2 1 361.490 0.627 20 0 FCADMP Cn1cc(N2CC[C@]3(CCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768949 1259685738 /nfs/dbraw/zinc/68/57/38/1259685738.db2.gz CZPHAYVDRMAGDZ-QAPCUYQASA-N 2 1 358.490 0.333 20 0 FCADMP O=C(C[C@@H]1OC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]21)N1CCCC1 ZINC001246785890 1259688927 /nfs/dbraw/zinc/68/89/27/1259688927.db2.gz AYAOKEFOGBIJRG-XDNAFOTISA-N 2 1 362.518 0.430 20 0 FCADMP Cn1cc(C(=O)NCc2cnc3n2CC[N@H+](C2CC[NH2+]CC2)CC3)cn1 ZINC001246777815 1259688947 /nfs/dbraw/zinc/68/89/47/1259688947.db2.gz LNGNNHLPRBCMHQ-UHFFFAOYSA-N 2 1 357.462 0.157 20 0 FCADMP Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](C2CC[NH2+]CC2)CC3)cn1 ZINC001246777815 1259688957 /nfs/dbraw/zinc/68/89/57/1259688957.db2.gz LNGNNHLPRBCMHQ-UHFFFAOYSA-N 2 1 357.462 0.157 20 0 FCADMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815474 1259690997 /nfs/dbraw/zinc/69/09/97/1259690997.db2.gz ZDCGQFVFNSUQLJ-HSALFYBXSA-N 3 1 371.529 0.698 20 0 FCADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815474 1259691005 /nfs/dbraw/zinc/69/10/05/1259691005.db2.gz ZDCGQFVFNSUQLJ-HSALFYBXSA-N 3 1 371.529 0.698 20 0 FCADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815474 1259691011 /nfs/dbraw/zinc/69/10/11/1259691011.db2.gz ZDCGQFVFNSUQLJ-HSALFYBXSA-N 3 1 371.529 0.698 20 0 FCADMP c1cncc(CN2CCO[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815474 1259691019 /nfs/dbraw/zinc/69/10/19/1259691019.db2.gz ZDCGQFVFNSUQLJ-HSALFYBXSA-N 2 1 371.529 0.698 20 0 FCADMP c1cncc(CN2CCO[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815474 1259691028 /nfs/dbraw/zinc/69/10/28/1259691028.db2.gz ZDCGQFVFNSUQLJ-HSALFYBXSA-N 2 1 371.529 0.698 20 0 FCADMP O=C1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246819712 1259691416 /nfs/dbraw/zinc/69/14/16/1259691416.db2.gz HZJRIDIWROBIDI-IBGZPJMESA-N 2 1 359.518 0.262 20 0 FCADMP COc1ccc([C@H]2C[C@@H]([NH+]3CCNCC[NH2+]CCNCC3)CCO2)cc1 ZINC001246819540 1259691671 /nfs/dbraw/zinc/69/16/71/1259691671.db2.gz GUCFTJGCYBDZPJ-AZUAARDMSA-N 2 1 362.518 1.000 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246857981 1259692812 /nfs/dbraw/zinc/69/28/12/1259692812.db2.gz KDRFXIAMHYUFCC-TVRAHDOYSA-N 2 1 365.474 0.001 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4CC[NH2+]C[C@H]4O)n3)c2)CC1 ZINC001247760967 1259705479 /nfs/dbraw/zinc/70/54/79/1259705479.db2.gz YGCIFFUBORYPCT-IAGOWNOFSA-N 2 1 357.458 0.922 20 0 FCADMP C[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001249070168 1259720680 /nfs/dbraw/zinc/72/06/80/1259720680.db2.gz IPTDYNYDKCPQRC-ZDUSSCGKSA-N 2 1 358.446 0.447 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251302939 1259743210 /nfs/dbraw/zinc/74/32/10/1259743210.db2.gz GKJZMBNYTBKNBB-IBGZPJMESA-N 2 1 370.538 0.928 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC001335646165 1259762624 /nfs/dbraw/zinc/76/26/24/1259762624.db2.gz MNOXTOCTFBWYKD-IBGZPJMESA-N 2 1 359.518 0.978 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC001335646165 1259762633 /nfs/dbraw/zinc/76/26/33/1259762633.db2.gz MNOXTOCTFBWYKD-IBGZPJMESA-N 2 1 359.518 0.978 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252507760 1259793892 /nfs/dbraw/zinc/79/38/92/1259793892.db2.gz QTWILPZISOTKFU-GOSISDBHSA-N 2 1 365.518 0.988 20 0 FCADMP COCC(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252949360 1259814431 /nfs/dbraw/zinc/81/44/31/1259814431.db2.gz KSLJANSPUZOOOV-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252949360 1259814436 /nfs/dbraw/zinc/81/44/36/1259814436.db2.gz KSLJANSPUZOOOV-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CC3(O)CCOCC3)CC2)C1 ZINC001252961294 1259816443 /nfs/dbraw/zinc/81/64/43/1259816443.db2.gz KIZAMDZZEKDUHP-UHFFFAOYSA-N 2 1 369.506 0.031 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CC3(O)CCOCC3)CC2)C1 ZINC001252961294 1259816450 /nfs/dbraw/zinc/81/64/50/1259816450.db2.gz KIZAMDZZEKDUHP-UHFFFAOYSA-N 2 1 369.506 0.031 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253185984 1259828428 /nfs/dbraw/zinc/82/84/28/1259828428.db2.gz WDUSKIFITCIXJY-XMTFNYHQSA-N 2 1 369.506 0.438 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)CN1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001253394967 1259837699 /nfs/dbraw/zinc/83/76/99/1259837699.db2.gz WMRDKBNFTSRDPT-MRXNPFEDSA-N 2 1 362.522 0.948 20 0 FCADMP CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389995 1259837784 /nfs/dbraw/zinc/83/77/84/1259837784.db2.gz HRLYZXASXNRUHP-GPMSIDNRSA-N 2 1 371.522 0.464 20 0 FCADMP CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389995 1259837790 /nfs/dbraw/zinc/83/77/90/1259837790.db2.gz HRLYZXASXNRUHP-GPMSIDNRSA-N 2 1 371.522 0.464 20 0 FCADMP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253389110 1259838235 /nfs/dbraw/zinc/83/82/35/1259838235.db2.gz UPHWBLUSRXBPOO-FCEWJHQRSA-N 2 1 371.522 0.464 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676147 1259849172 /nfs/dbraw/zinc/84/91/72/1259849172.db2.gz FSNWUMUHZSUJGQ-IXDOHACOSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676147 1259849180 /nfs/dbraw/zinc/84/91/80/1259849180.db2.gz FSNWUMUHZSUJGQ-IXDOHACOSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676147 1259849188 /nfs/dbraw/zinc/84/91/88/1259849188.db2.gz FSNWUMUHZSUJGQ-IXDOHACOSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676147 1259849196 /nfs/dbraw/zinc/84/91/96/1259849196.db2.gz FSNWUMUHZSUJGQ-IXDOHACOSA-N 2 1 364.490 0.876 20 0 FCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874980 1259861027 /nfs/dbraw/zinc/86/10/27/1259861027.db2.gz QRVPERIGMVOYJJ-GGNLRSJOSA-N 2 1 363.412 1.000 20 0 FCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874980 1259861033 /nfs/dbraw/zinc/86/10/33/1259861033.db2.gz QRVPERIGMVOYJJ-GGNLRSJOSA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874980 1259861043 /nfs/dbraw/zinc/86/10/43/1259861043.db2.gz QRVPERIGMVOYJJ-GGNLRSJOSA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874980 1259861049 /nfs/dbraw/zinc/86/10/49/1259861049.db2.gz QRVPERIGMVOYJJ-GGNLRSJOSA-N 2 1 363.412 1.000 20 0 FCADMP COc1cccc(OC[C@@H](O)C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001253958063 1259867095 /nfs/dbraw/zinc/86/70/95/1259867095.db2.gz KUJHRYXQIYMDTL-INIZCTEOSA-N 2 1 365.474 0.531 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335987023 1259932060 /nfs/dbraw/zinc/93/20/60/1259932060.db2.gz RKNLYVIZDWRZCZ-CRIYYSNOSA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001256343808 1259949027 /nfs/dbraw/zinc/94/90/27/1259949027.db2.gz CTFCEHVUZOZHIT-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256693876 1259957010 /nfs/dbraw/zinc/95/70/10/1259957010.db2.gz RDDPOTGDSHSASH-FAFZWHIHSA-N 2 1 364.490 0.053 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001257150190 1259999265 /nfs/dbraw/zinc/99/92/65/1259999265.db2.gz JQBSKWNLGDTLSO-WBVHZDCISA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001257150190 1259999267 /nfs/dbraw/zinc/99/92/67/1259999267.db2.gz JQBSKWNLGDTLSO-WBVHZDCISA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001257150190 1259999272 /nfs/dbraw/zinc/99/92/72/1259999272.db2.gz JQBSKWNLGDTLSO-WBVHZDCISA-N 2 1 366.506 0.035 20 0 FCADMP CCN1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738629 1260027803 /nfs/dbraw/zinc/02/78/03/1260027803.db2.gz BGYIWZQHWPQAHG-MZBWOGCUSA-N 2 1 368.474 0.770 20 0 FCADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738629 1260027811 /nfs/dbraw/zinc/02/78/11/1260027811.db2.gz BGYIWZQHWPQAHG-MZBWOGCUSA-N 2 1 368.474 0.770 20 0 FCADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738629 1260027820 /nfs/dbraw/zinc/02/78/20/1260027820.db2.gz BGYIWZQHWPQAHG-MZBWOGCUSA-N 2 1 368.474 0.770 20 0 FCADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738629 1260027829 /nfs/dbraw/zinc/02/78/29/1260027829.db2.gz BGYIWZQHWPQAHG-MZBWOGCUSA-N 2 1 368.474 0.770 20 0 FCADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738629 1260027837 /nfs/dbraw/zinc/02/78/37/1260027837.db2.gz BGYIWZQHWPQAHG-MZBWOGCUSA-N 2 1 368.474 0.770 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192810 1260034396 /nfs/dbraw/zinc/03/43/96/1260034396.db2.gz IVZQCYVPEPFXSM-ILXRZTDVSA-N 2 1 352.479 0.653 20 0 FCADMP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001336241107 1260055144 /nfs/dbraw/zinc/05/51/44/1260055144.db2.gz QBMNPGLWITWHOV-ZWKOTPCHSA-N 2 1 367.538 0.614 20 0 FCADMP Nc1nc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cs1 ZINC001336271603 1260063560 /nfs/dbraw/zinc/06/35/60/1260063560.db2.gz KNRAPTORSXKLOV-OKILXGFUSA-N 2 1 350.492 0.836 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273841 1260063813 /nfs/dbraw/zinc/06/38/13/1260063813.db2.gz VFPKWXWNOBKXEE-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC001261384473 1260130502 /nfs/dbraw/zinc/13/05/02/1260130502.db2.gz QGCUQATUUSKJOR-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC001331973666 1266311146 /nfs/dbraw/zinc/31/11/46/1266311146.db2.gz QQWHSJOQMVVDMR-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001331973666 1266311155 /nfs/dbraw/zinc/31/11/55/1266311155.db2.gz QQWHSJOQMVVDMR-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001331973666 1266311168 /nfs/dbraw/zinc/31/11/68/1266311168.db2.gz QQWHSJOQMVVDMR-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001261503117 1260151569 /nfs/dbraw/zinc/15/15/69/1260151569.db2.gz MJVABPKNRPRJOC-UHFFFAOYSA-N 3 1 365.566 0.546 20 0 FCADMP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336857380 1260239014 /nfs/dbraw/zinc/23/90/14/1260239014.db2.gz CVAVIBAGOAGJSO-TWMKSMIVSA-N 2 1 363.506 0.511 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001336989606 1260277742 /nfs/dbraw/zinc/27/77/42/1260277742.db2.gz HPDOQJHWOXLERM-MRXNPFEDSA-N 2 1 365.522 0.572 20 0 FCADMP Cn1cc(C2=NO[C@H](C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)C2)cn1 ZINC001337088086 1260306631 /nfs/dbraw/zinc/30/66/31/1260306631.db2.gz QWMINVHHHMEEOZ-KRWDZBQOSA-N 2 1 369.429 0.699 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756093 1260355342 /nfs/dbraw/zinc/35/53/42/1260355342.db2.gz FDFRRJNQXBCTKO-UZLBHIALSA-N 2 1 372.513 0.648 20 0 FCADMP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332076155 1266331105 /nfs/dbraw/zinc/33/11/05/1266331105.db2.gz BQBVBFCSODXJJF-RTBURBONSA-N 2 1 360.502 0.469 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001337532505 1260424134 /nfs/dbraw/zinc/42/41/34/1260424134.db2.gz SLAXOWCWYAMZSR-CALCHBBNSA-N 2 1 373.501 0.121 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001272825143 1260512072 /nfs/dbraw/zinc/51/20/72/1260512072.db2.gz OBKUEUURTQHIIJ-XLAORIBOSA-N 2 1 360.502 0.767 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C2)C1=O ZINC001273055736 1260581970 /nfs/dbraw/zinc/58/19/70/1260581970.db2.gz LETDZQSWPLLALE-PXNSSMCTSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CCC[NH+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209842 1260623063 /nfs/dbraw/zinc/62/30/63/1260623063.db2.gz HXWOUYVWIKPOGB-QGZVFWFLSA-N 2 1 361.490 0.945 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CCC[NH+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209842 1260623070 /nfs/dbraw/zinc/62/30/70/1260623070.db2.gz HXWOUYVWIKPOGB-QGZVFWFLSA-N 2 1 361.490 0.945 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209842 1260623076 /nfs/dbraw/zinc/62/30/76/1260623076.db2.gz HXWOUYVWIKPOGB-QGZVFWFLSA-N 2 1 361.490 0.945 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209842 1260623086 /nfs/dbraw/zinc/62/30/86/1260623086.db2.gz HXWOUYVWIKPOGB-QGZVFWFLSA-N 2 1 361.490 0.945 20 0 FCADMP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001278488887 1260700227 /nfs/dbraw/zinc/70/02/27/1260700227.db2.gz XGPMTQAVMFGYTI-IAGOWNOFSA-N 2 1 354.458 0.950 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@H]2C1 ZINC001278508683 1260702748 /nfs/dbraw/zinc/70/27/48/1260702748.db2.gz YVEVMIMREHDKGS-HOTGVXAUSA-N 2 1 360.458 0.380 20 0 FCADMP CCc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)on1 ZINC001278504084 1260702778 /nfs/dbraw/zinc/70/27/78/1260702778.db2.gz IXUMKYYBLIIOMG-IBGZPJMESA-N 2 1 363.506 0.955 20 0 FCADMP CCc1cc(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)on1 ZINC001278504084 1260702782 /nfs/dbraw/zinc/70/27/82/1260702782.db2.gz IXUMKYYBLIIOMG-IBGZPJMESA-N 2 1 363.506 0.955 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@@H]2C1 ZINC001279177318 1260798743 /nfs/dbraw/zinc/79/87/43/1260798743.db2.gz PHWZDEDUCVMHBE-HZPDHXFCSA-N 2 1 359.474 0.115 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C23CC(NC(=O)C[NH+]4CCC4)(C2)C3)cn1 ZINC001279240089 1260804241 /nfs/dbraw/zinc/80/42/41/1260804241.db2.gz UBZQCWOSGAOSOR-UHFFFAOYSA-N 2 1 360.462 0.128 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC001279462787 1260873713 /nfs/dbraw/zinc/87/37/13/1260873713.db2.gz QXDLMPPGLPXREN-IYBDPMFKSA-N 2 1 356.470 0.993 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC001279462787 1260873716 /nfs/dbraw/zinc/87/37/16/1260873716.db2.gz QXDLMPPGLPXREN-IYBDPMFKSA-N 2 1 356.470 0.993 20 0 FCADMP O=C1NC2(CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279468601 1260874602 /nfs/dbraw/zinc/87/46/02/1260874602.db2.gz WTTCYPNBUKWHAC-BRWVUGGUSA-N 2 1 359.474 0.601 20 0 FCADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825941 1260938799 /nfs/dbraw/zinc/93/87/99/1260938799.db2.gz IBRDXCNQKVEZOI-LQKXBSAESA-N 2 1 360.462 0.726 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](Cc2cncnc2)C3)CC1 ZINC001279972645 1260977636 /nfs/dbraw/zinc/97/76/36/1260977636.db2.gz SEMGFBAUHDTHEH-KRWDZBQOSA-N 2 1 359.474 0.526 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280081402 1260994148 /nfs/dbraw/zinc/99/41/48/1260994148.db2.gz RCAWOKOVFISVPU-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc[nH+]c(N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCN(C)C)C[C@H]23)c1 ZINC001280090732 1260998413 /nfs/dbraw/zinc/99/84/13/1260998413.db2.gz YRDPNCBIENFBBL-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1cc[nH+]c(N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCN(C)C)C[C@H]23)c1 ZINC001280090732 1260998417 /nfs/dbraw/zinc/99/84/17/1260998417.db2.gz YRDPNCBIENFBBL-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP CCOC(=O)CC[N@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280095463 1260999675 /nfs/dbraw/zinc/99/96/75/1260999675.db2.gz MTXIIWODRWBWSG-LSDHHAIUSA-N 2 1 366.462 0.179 20 0 FCADMP CCOC(=O)CC[N@@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280095463 1260999679 /nfs/dbraw/zinc/99/96/79/1260999679.db2.gz MTXIIWODRWBWSG-LSDHHAIUSA-N 2 1 366.462 0.179 20 0 FCADMP Cn1nccc1CNC(=O)[C@H]1CCC2(C[NH+](CC3CC[NH+](C)CC3)C2)O1 ZINC001280125908 1261011133 /nfs/dbraw/zinc/01/11/33/1261011133.db2.gz OTGJWGAKUSMJIV-QGZVFWFLSA-N 2 1 361.490 0.612 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)O3)CC1 ZINC001280126759 1261011877 /nfs/dbraw/zinc/01/18/77/1261011877.db2.gz ZLEZGRXEUIBSMK-SFHVURJKSA-N 3 1 364.534 0.772 20 0 FCADMP CC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280160431 1261016980 /nfs/dbraw/zinc/01/69/80/1261016980.db2.gz LJDRMOFZLMEOLZ-PVAVHDDUSA-N 2 1 359.474 0.373 20 0 FCADMP CC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001280160431 1261016983 /nfs/dbraw/zinc/01/69/83/1261016983.db2.gz LJDRMOFZLMEOLZ-PVAVHDDUSA-N 2 1 359.474 0.373 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280218385 1261038157 /nfs/dbraw/zinc/03/81/57/1261038157.db2.gz HZAOSROAMMHBEW-NZSAHSFTSA-N 2 1 366.550 0.828 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280218385 1261038162 /nfs/dbraw/zinc/03/81/62/1261038162.db2.gz HZAOSROAMMHBEW-NZSAHSFTSA-N 2 1 366.550 0.828 20 0 FCADMP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280221226 1261038555 /nfs/dbraw/zinc/03/85/55/1261038555.db2.gz POXKXSMIKCGTRE-IAGOWNOFSA-N 2 1 360.506 0.374 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280221226 1261038561 /nfs/dbraw/zinc/03/85/61/1261038561.db2.gz POXKXSMIKCGTRE-IAGOWNOFSA-N 3 1 360.506 0.374 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280221226 1261038567 /nfs/dbraw/zinc/03/85/67/1261038567.db2.gz POXKXSMIKCGTRE-IAGOWNOFSA-N 3 1 360.506 0.374 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCCC2(CN(C(=O)C3=CNN4C=CNC=C34)C2)C1 ZINC001280221295 1261038610 /nfs/dbraw/zinc/03/86/10/1261038610.db2.gz SEJQWUSTPZPFBD-UHFFFAOYSA-N 2 1 358.490 0.482 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCCC2(CN(C(=O)C3=CNN4C=CNC=C34)C2)C1 ZINC001280221295 1261038614 /nfs/dbraw/zinc/03/86/14/1261038614.db2.gz SEJQWUSTPZPFBD-UHFFFAOYSA-N 2 1 358.490 0.482 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)NCc4c[nH]cn4)=NO[C@@H]3C2)CC1 ZINC001280250849 1261042073 /nfs/dbraw/zinc/04/20/73/1261042073.db2.gz RUZLWMYHCPEWDI-JKSUJKDBSA-N 2 1 360.462 0.444 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)NCc4cnc[nH]4)=NO[C@@H]3C2)CC1 ZINC001280250849 1261042077 /nfs/dbraw/zinc/04/20/77/1261042077.db2.gz RUZLWMYHCPEWDI-JKSUJKDBSA-N 2 1 360.462 0.444 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)NCc4cnc[nH]4)=NO[C@@H]3C2)CC1 ZINC001280250849 1261042082 /nfs/dbraw/zinc/04/20/82/1261042082.db2.gz RUZLWMYHCPEWDI-JKSUJKDBSA-N 2 1 360.462 0.444 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H]3C[N@@H+](CCC4CC4)C[C@H]23)cn1 ZINC001280274694 1261045168 /nfs/dbraw/zinc/04/51/68/1261045168.db2.gz VWKZTANBXATDGL-JKSUJKDBSA-N 2 1 360.462 0.870 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001281684447 1261148473 /nfs/dbraw/zinc/14/84/73/1261148473.db2.gz PBOMWJNSOHEJEJ-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001281684447 1261148481 /nfs/dbraw/zinc/14/84/81/1261148481.db2.gz PBOMWJNSOHEJEJ-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001281684447 1261148489 /nfs/dbraw/zinc/14/84/89/1261148489.db2.gz PBOMWJNSOHEJEJ-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852370 1261234787 /nfs/dbraw/zinc/23/47/87/1261234787.db2.gz YAQIMDJIKWZLKP-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001332519674 1266422196 /nfs/dbraw/zinc/42/21/96/1266422196.db2.gz HRNPWUFUFTZBQQ-IAGOWNOFSA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001332519674 1266422199 /nfs/dbraw/zinc/42/21/99/1266422199.db2.gz HRNPWUFUFTZBQQ-IAGOWNOFSA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001332519674 1266422204 /nfs/dbraw/zinc/42/22/04/1266422204.db2.gz HRNPWUFUFTZBQQ-IAGOWNOFSA-N 2 1 362.526 0.374 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001580290313 1278096141 /nfs/dbraw/zinc/09/61/41/1278096141.db2.gz FUXALLYCTMDKJH-STQMWFEESA-N 2 1 358.450 0.475 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321092 1278122382 /nfs/dbraw/zinc/12/23/82/1278122382.db2.gz UFXUWDKPPWOCJW-IOASZLSFSA-N 2 1 370.461 0.284 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001288970876 1262054692 /nfs/dbraw/zinc/05/46/92/1262054692.db2.gz BJHGQFNKQSCDCM-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001289699338 1262314349 /nfs/dbraw/zinc/31/43/49/1262314349.db2.gz MGHRJTHXBRMLIC-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001289699338 1262314359 /nfs/dbraw/zinc/31/43/59/1262314359.db2.gz MGHRJTHXBRMLIC-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001289699338 1262314364 /nfs/dbraw/zinc/31/43/64/1262314364.db2.gz MGHRJTHXBRMLIC-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(N1CC([NH2+]C2CCOCC2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001303646502 1263110904 /nfs/dbraw/zinc/11/09/04/1263110904.db2.gz OPGDJZPTYKIYEP-NRFANRHFSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001312013342 1263270912 /nfs/dbraw/zinc/27/09/12/1263270912.db2.gz RCVRURQXNJWFBA-QZTJIDSGSA-N 2 1 368.522 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001479672597 1263336082 /nfs/dbraw/zinc/33/60/82/1263336082.db2.gz MALAIAUUYPQOLN-SJORKVTESA-N 2 1 365.522 0.524 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001479672597 1263336093 /nfs/dbraw/zinc/33/60/93/1263336093.db2.gz MALAIAUUYPQOLN-SJORKVTESA-N 2 1 365.522 0.524 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001479672597 1263336101 /nfs/dbraw/zinc/33/61/01/1263336101.db2.gz MALAIAUUYPQOLN-SJORKVTESA-N 2 1 365.522 0.524 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)CCC1 ZINC001316753887 1263457907 /nfs/dbraw/zinc/45/79/07/1263457907.db2.gz GELPFXHUUMDSPQ-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001317552610 1263516948 /nfs/dbraw/zinc/51/69/48/1263516948.db2.gz LKBHOVPDOWWKHQ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001317552610 1263516954 /nfs/dbraw/zinc/51/69/54/1263516954.db2.gz LKBHOVPDOWWKHQ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001317552610 1263516960 /nfs/dbraw/zinc/51/69/60/1263516960.db2.gz LKBHOVPDOWWKHQ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001317552610 1263516962 /nfs/dbraw/zinc/51/69/62/1263516962.db2.gz LKBHOVPDOWWKHQ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385672 1278206125 /nfs/dbraw/zinc/20/61/25/1278206125.db2.gz BFFBUJBFAWULEC-HZSPNIEDSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385672 1278206128 /nfs/dbraw/zinc/20/61/28/1278206128.db2.gz BFFBUJBFAWULEC-HZSPNIEDSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC001580387877 1278208195 /nfs/dbraw/zinc/20/81/95/1278208195.db2.gz GMKOFSXEGKEZTE-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC001580387877 1278208203 /nfs/dbraw/zinc/20/82/03/1278208203.db2.gz GMKOFSXEGKEZTE-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC001580387877 1278208209 /nfs/dbraw/zinc/20/82/09/1278208209.db2.gz GMKOFSXEGKEZTE-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)n2)CC1 ZINC001321082128 1263904221 /nfs/dbraw/zinc/90/42/21/1263904221.db2.gz YAXSXHFBLLMWCZ-ZBFHGGJFSA-N 2 1 374.489 0.831 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(O)ccc2Cl)CC[N@H+]1C ZINC001496980019 1263907646 /nfs/dbraw/zinc/90/76/46/1263907646.db2.gz YSWBXDNNEZIPJX-KCPJHIHWSA-N 2 1 355.866 0.953 20 0 FCADMP CCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001499099581 1264003671 /nfs/dbraw/zinc/00/36/71/1264003671.db2.gz FFORTOYATTYTRK-GOSISDBHSA-N 2 1 350.511 0.828 20 0 FCADMP CCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001499099581 1264003684 /nfs/dbraw/zinc/00/36/84/1264003684.db2.gz FFORTOYATTYTRK-GOSISDBHSA-N 2 1 350.511 0.828 20 0 FCADMP CCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001499099581 1264003693 /nfs/dbraw/zinc/00/36/93/1264003693.db2.gz FFORTOYATTYTRK-GOSISDBHSA-N 2 1 350.511 0.828 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499230594 1264016046 /nfs/dbraw/zinc/01/60/46/1264016046.db2.gz ADIXZNJXCOHUMH-ZIAGYGMSSA-N 2 1 352.504 0.797 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001321772614 1264057543 /nfs/dbraw/zinc/05/75/43/1264057543.db2.gz PNKQLATUFADVEW-WBVHZDCISA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC001322960219 1264301303 /nfs/dbraw/zinc/30/13/03/1264301303.db2.gz ZBFGZUSHWWHVPF-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC001322960219 1264301317 /nfs/dbraw/zinc/30/13/17/1264301317.db2.gz ZBFGZUSHWWHVPF-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994829 1264311228 /nfs/dbraw/zinc/31/12/28/1264311228.db2.gz VVEQKPSXTKKLKP-AWEZNQCLSA-N 2 1 363.437 0.122 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001580407226 1278244688 /nfs/dbraw/zinc/24/46/88/1278244688.db2.gz IUGVCSKNOKOJNA-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326421804 1265111427 /nfs/dbraw/zinc/11/14/27/1265111427.db2.gz WUVBHQZKPFWQOH-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326421804 1265111428 /nfs/dbraw/zinc/11/14/28/1265111428.db2.gz WUVBHQZKPFWQOH-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC001326968119 1265209239 /nfs/dbraw/zinc/20/92/39/1265209239.db2.gz JUFBPFMVJSCKEJ-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001514093408 1265323763 /nfs/dbraw/zinc/32/37/63/1265323763.db2.gz KGTSLKJAFNVDQW-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC001333422277 1266598174 /nfs/dbraw/zinc/59/81/74/1266598174.db2.gz IGZPWWUBJCNYSJ-MRXNPFEDSA-N 2 1 363.510 0.688 20 0 FCADMP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC2(CCC2)C1 ZINC001333732346 1266694516 /nfs/dbraw/zinc/69/45/16/1266694516.db2.gz MLLMFAGWXGABSM-INIZCTEOSA-N 2 1 350.507 0.561 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC001333732552 1266695589 /nfs/dbraw/zinc/69/55/89/1266695589.db2.gz NUZIADULJJTOLQ-SFHVURJKSA-N 2 1 372.513 0.859 20 0 FCADMP C[NH2+][C@H](C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC001524369790 1266702882 /nfs/dbraw/zinc/70/28/82/1266702882.db2.gz ZIJUBDZIDFLOFL-IBGZPJMESA-N 2 1 370.501 0.791 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001526631197 1266823316 /nfs/dbraw/zinc/82/33/16/1266823316.db2.gz IGSAKFHELHOROZ-SQWLQELKSA-N 2 1 364.494 0.019 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001334178241 1266869295 /nfs/dbraw/zinc/86/92/95/1266869295.db2.gz ANLHLDZVPXSHFF-KRWDZBQOSA-N 2 1 359.474 0.164 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001334241554 1266906180 /nfs/dbraw/zinc/90/61/80/1266906180.db2.gz OEYLPLDTQJFDCQ-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001334460442 1267013958 /nfs/dbraw/zinc/01/39/58/1267013958.db2.gz AKRBGGMAVQYNHC-INIZCTEOSA-N 2 1 351.499 0.564 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001334460442 1267013969 /nfs/dbraw/zinc/01/39/69/1267013969.db2.gz AKRBGGMAVQYNHC-INIZCTEOSA-N 2 1 351.499 0.564 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580448245 1278308692 /nfs/dbraw/zinc/30/86/92/1278308692.db2.gz LQEBHGOPMDQGIM-XDQVBPFNSA-N 2 1 370.461 0.473 20 0 FCADMP COCC[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001547268817 1267668467 /nfs/dbraw/zinc/66/84/67/1267668467.db2.gz GFHZWLKMXGRAHX-UHFFFAOYSA-N 2 1 372.510 0.624 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001547268817 1267668473 /nfs/dbraw/zinc/66/84/73/1267668473.db2.gz GFHZWLKMXGRAHX-UHFFFAOYSA-N 2 1 372.510 0.624 20 0 FCADMP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998537 1268039575 /nfs/dbraw/zinc/03/95/75/1268039575.db2.gz AASJISQJNHIOHJ-CTNGQTDRSA-N 2 1 372.513 0.472 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704214 1268052598 /nfs/dbraw/zinc/05/25/98/1268052598.db2.gz MTHXPGADVIOLEP-PBHICJAKSA-N 2 1 350.463 0.409 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476622 1268125088 /nfs/dbraw/zinc/12/50/88/1268125088.db2.gz ALGLFBORZGCHRT-KYJUOOMLSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476622 1268125091 /nfs/dbraw/zinc/12/50/91/1268125091.db2.gz ALGLFBORZGCHRT-KYJUOOMLSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476622 1268125098 /nfs/dbraw/zinc/12/50/98/1268125098.db2.gz ALGLFBORZGCHRT-KYJUOOMLSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001550484894 1268126979 /nfs/dbraw/zinc/12/69/79/1268126979.db2.gz MFHGDEAXETVDQY-CLWJZODNSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001338997082 1268142966 /nfs/dbraw/zinc/14/29/66/1268142966.db2.gz BQIVBCFBUMNYBE-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550731424 1268158194 /nfs/dbraw/zinc/15/81/94/1268158194.db2.gz ODLODDKZTHMOPC-CVEARBPZSA-N 2 1 352.479 0.119 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC001550759427 1268164010 /nfs/dbraw/zinc/16/40/10/1268164010.db2.gz BYVIDFCSKUIMHM-IXDOHACOSA-N 2 1 366.506 0.507 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001550759424 1268164189 /nfs/dbraw/zinc/16/41/89/1268164189.db2.gz BYVIDFCSKUIMHM-IKGGRYGDSA-N 2 1 366.506 0.507 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980912 1268189885 /nfs/dbraw/zinc/18/98/85/1268189885.db2.gz SKYUHVKHZZRSFE-GVDBMIGSSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[N@H+](C)C1 ZINC001550980912 1268189889 /nfs/dbraw/zinc/18/98/89/1268189889.db2.gz SKYUHVKHZZRSFE-GVDBMIGSSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[N@@H+](C)C1 ZINC001550980912 1268189893 /nfs/dbraw/zinc/18/98/93/1268189893.db2.gz SKYUHVKHZZRSFE-GVDBMIGSSA-N 2 1 354.495 0.600 20 0 FCADMP Cc1[nH+]cc2n1CCN(C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C2 ZINC001551554898 1268266275 /nfs/dbraw/zinc/26/62/75/1268266275.db2.gz KXYCZEUPRAOQOK-RDJZCZTQSA-N 2 1 360.462 0.364 20 0 FCADMP Cc1[nH+]cc2n1CCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C2 ZINC001551554893 1268266336 /nfs/dbraw/zinc/26/63/36/1268266336.db2.gz KXYCZEUPRAOQOK-NVXWUHKLSA-N 2 1 360.462 0.364 20 0 FCADMP CC1(C)CN(C(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CC[N@H+]1CCO ZINC001551555417 1268267298 /nfs/dbraw/zinc/26/72/98/1268267298.db2.gz XOGZDNLFSSOPAV-HUUCEWRRSA-N 2 1 364.412 0.627 20 0 FCADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597792 1268282730 /nfs/dbraw/zinc/28/27/30/1268282730.db2.gz XBWNETZNUAFWBW-DOTOQJQBSA-N 2 1 351.495 0.370 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@@H+]1C ZINC001551937978 1268316198 /nfs/dbraw/zinc/31/61/98/1268316198.db2.gz IYHFECHBMQHDHH-GBJTYRQASA-N 2 1 362.478 0.499 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@H+]1C ZINC001551937978 1268316209 /nfs/dbraw/zinc/31/62/09/1268316209.db2.gz IYHFECHBMQHDHH-GBJTYRQASA-N 2 1 362.478 0.499 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@H]2C[NH2+]C[C@@H]2OC)nn1 ZINC001552088639 1268367615 /nfs/dbraw/zinc/36/76/15/1268367615.db2.gz FJSWABXZUZOPJQ-ANQUJSFKSA-N 2 1 362.478 0.065 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC001552089485 1268369200 /nfs/dbraw/zinc/36/92/00/1268369200.db2.gz QBVNKBIGSYPDRH-KNCCTNLNSA-N 2 1 363.506 0.599 20 0 FCADMP Cn1cc([C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC001552098313 1268372138 /nfs/dbraw/zinc/37/21/38/1268372138.db2.gz UCERAXHMTSKUIU-RTBURBONSA-N 2 1 368.485 0.915 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552123288 1268384046 /nfs/dbraw/zinc/38/40/46/1268384046.db2.gz COUZMJAZEIGEAT-RCCFBDPRSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001552127633 1268386503 /nfs/dbraw/zinc/38/65/03/1268386503.db2.gz VZMQCVXVYBXWFR-RRFJBIMHSA-N 2 1 350.467 0.554 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC001552135075 1268390284 /nfs/dbraw/zinc/39/02/84/1268390284.db2.gz DMAFSKNANRULLF-BRWVUGGUSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1(C)C ZINC001552135075 1268390289 /nfs/dbraw/zinc/39/02/89/1268390289.db2.gz DMAFSKNANRULLF-BRWVUGGUSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1(C)C ZINC001552135075 1268390301 /nfs/dbraw/zinc/39/03/01/1268390301.db2.gz DMAFSKNANRULLF-BRWVUGGUSA-N 2 1 367.538 0.299 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552154523 1268395639 /nfs/dbraw/zinc/39/56/39/1268395639.db2.gz JCBUXMYUJHSKOM-SQNIBIBYSA-N 2 1 350.507 0.145 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC001552166669 1268398318 /nfs/dbraw/zinc/39/83/18/1268398318.db2.gz JIWKXWVTPJABOB-BZSNNMDCSA-N 2 1 363.506 0.505 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202140 1268408405 /nfs/dbraw/zinc/40/84/05/1268408405.db2.gz AXPHBGPZOLLMDQ-TZIWHRDSSA-N 2 1 372.513 0.676 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201495 1268408564 /nfs/dbraw/zinc/40/85/64/1268408564.db2.gz POKSWLXWKNBKMV-SFNKJDCFSA-N 2 1 350.507 0.239 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202897 1268409504 /nfs/dbraw/zinc/40/95/04/1268409504.db2.gz SKVBZHKWFLWQAL-YLJYHZDGSA-N 2 1 358.486 0.999 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001552237542 1268419153 /nfs/dbraw/zinc/41/91/53/1268419153.db2.gz AYVYRKUABQBMOE-ROUUACIJSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001552237542 1268419158 /nfs/dbraw/zinc/41/91/58/1268419158.db2.gz AYVYRKUABQBMOE-ROUUACIJSA-N 2 1 358.486 0.658 20 0 FCADMP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC001340128026 1268444882 /nfs/dbraw/zinc/44/48/82/1268444882.db2.gz JHTDBOAZEHTXGF-ZDUSSCGKSA-N 2 1 360.252 0.810 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552476463 1268471294 /nfs/dbraw/zinc/47/12/94/1268471294.db2.gz KMLUSJIWZXPNGG-YFHUEUNASA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552476463 1268471298 /nfs/dbraw/zinc/47/12/98/1268471298.db2.gz KMLUSJIWZXPNGG-YFHUEUNASA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001552601419 1268485441 /nfs/dbraw/zinc/48/54/41/1268485441.db2.gz CFXPOGOGRUJLLP-QBPKDAKJSA-N 2 1 363.510 0.895 20 0 FCADMP CC(C)[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552685715 1268522374 /nfs/dbraw/zinc/52/23/74/1268522374.db2.gz OXSRITOMPLEGBW-KRWDZBQOSA-N 2 1 363.506 0.932 20 0 FCADMP CC(C)[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001552685715 1268522384 /nfs/dbraw/zinc/52/23/84/1268522384.db2.gz OXSRITOMPLEGBW-KRWDZBQOSA-N 2 1 363.506 0.932 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC[N@@H+]1CCOC ZINC001552696903 1268524192 /nfs/dbraw/zinc/52/41/92/1268524192.db2.gz KUNHMNQHUFEYFF-VYDXJSESSA-N 2 1 364.494 0.903 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC[N@H+]1CCOC ZINC001552696903 1268524198 /nfs/dbraw/zinc/52/41/98/1268524198.db2.gz KUNHMNQHUFEYFF-VYDXJSESSA-N 2 1 364.494 0.903 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC001552706325 1268525830 /nfs/dbraw/zinc/52/58/30/1268525830.db2.gz KEAGMECKJNEQLB-IRXDYDNUSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC001552706325 1268525842 /nfs/dbraw/zinc/52/58/42/1268525842.db2.gz KEAGMECKJNEQLB-IRXDYDNUSA-N 2 1 361.490 0.687 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552706434 1268526213 /nfs/dbraw/zinc/52/62/13/1268526213.db2.gz UNGJDNHYMKPMRR-VYDXJSESSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552706434 1268526217 /nfs/dbraw/zinc/52/62/17/1268526217.db2.gz UNGJDNHYMKPMRR-VYDXJSESSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552706434 1268526223 /nfs/dbraw/zinc/52/62/23/1268526223.db2.gz UNGJDNHYMKPMRR-VYDXJSESSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552706434 1268526227 /nfs/dbraw/zinc/52/62/27/1268526227.db2.gz UNGJDNHYMKPMRR-VYDXJSESSA-N 2 1 363.506 0.837 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552711338 1268530693 /nfs/dbraw/zinc/53/06/93/1268530693.db2.gz YBFQGOZIIPMOKQ-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552711338 1268530698 /nfs/dbraw/zinc/53/06/98/1268530698.db2.gz YBFQGOZIIPMOKQ-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552711338 1268530702 /nfs/dbraw/zinc/53/07/02/1268530702.db2.gz YBFQGOZIIPMOKQ-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552711338 1268530705 /nfs/dbraw/zinc/53/07/05/1268530705.db2.gz YBFQGOZIIPMOKQ-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC001552712905 1268532941 /nfs/dbraw/zinc/53/29/41/1268532941.db2.gz XZKATGIOSSGUTB-KOHRHEQBSA-N 2 1 363.506 0.979 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC001552712905 1268532943 /nfs/dbraw/zinc/53/29/43/1268532943.db2.gz XZKATGIOSSGUTB-KOHRHEQBSA-N 2 1 363.506 0.979 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)CC1 ZINC001552976691 1268572143 /nfs/dbraw/zinc/57/21/43/1268572143.db2.gz ORTHRLIPPIREDG-SFHVURJKSA-N 2 1 351.539 0.107 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](CN4CCOCC4)O3)C2)C1 ZINC001553143511 1268597600 /nfs/dbraw/zinc/59/76/00/1268597600.db2.gz DAHDKKVJTVATRX-SCTDSRPQSA-N 2 1 351.491 0.811 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553374528 1268638789 /nfs/dbraw/zinc/63/87/89/1268638789.db2.gz HEUNCOGGWIFONH-LAUBAEHRSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553374528 1268638793 /nfs/dbraw/zinc/63/87/93/1268638793.db2.gz HEUNCOGGWIFONH-LAUBAEHRSA-N 2 1 370.497 0.949 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553369176 1268639620 /nfs/dbraw/zinc/63/96/20/1268639620.db2.gz LLLAJDUUJTWELI-LPHOPBHVSA-N 2 1 351.491 0.764 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378083 1268640074 /nfs/dbraw/zinc/64/00/74/1268640074.db2.gz JKEYYMGUVVOLDB-QFBILLFUSA-N 2 1 363.506 0.278 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378083 1268640082 /nfs/dbraw/zinc/64/00/82/1268640082.db2.gz JKEYYMGUVVOLDB-QFBILLFUSA-N 2 1 363.506 0.278 20 0 FCADMP COCC(=O)Nc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553397046 1268642219 /nfs/dbraw/zinc/64/22/19/1268642219.db2.gz YQBSYAXXBWPLRS-BEFAXECRSA-N 2 1 360.458 0.429 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@@H]2C1 ZINC001553389256 1268642954 /nfs/dbraw/zinc/64/29/54/1268642954.db2.gz KXMPABRIJGBKTR-OXQOHEQNSA-N 2 1 372.469 0.639 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@@H]2C1 ZINC001553385265 1268643242 /nfs/dbraw/zinc/64/32/42/1268643242.db2.gz ZVOZHTYZWGXVFJ-ACJLOTCBSA-N 2 1 364.877 0.727 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553413809 1268646906 /nfs/dbraw/zinc/64/69/06/1268646906.db2.gz YLOADXSCTZFJKQ-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553413812 1268647304 /nfs/dbraw/zinc/64/73/04/1268647304.db2.gz YLOADXSCTZFJKQ-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001553425616 1268648720 /nfs/dbraw/zinc/64/87/20/1268648720.db2.gz FPRWMALCPQSHSP-NXHRZFHOSA-N 2 1 365.522 0.317 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553455500 1268654642 /nfs/dbraw/zinc/65/46/42/1268654642.db2.gz YLSKMSZJFMTXDO-KURKYZTESA-N 2 1 365.522 0.176 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CC1(C)C ZINC001553482677 1268658122 /nfs/dbraw/zinc/65/81/22/1268658122.db2.gz VKCBXNPCIBXWIX-HNNXBMFYSA-N 2 1 353.511 0.162 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001553510317 1268661387 /nfs/dbraw/zinc/66/13/87/1268661387.db2.gz ZKFLBRMGSWOZJW-SUJAAXHWSA-N 2 1 364.494 0.354 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001341065696 1268768364 /nfs/dbraw/zinc/76/83/64/1268768364.db2.gz RYMOQFQUAVLZEJ-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP COCC[N@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001555523236 1268785862 /nfs/dbraw/zinc/78/58/62/1268785862.db2.gz AQUUKYFONDWFKQ-QGZVFWFLSA-N 2 1 366.510 0.466 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001555523236 1268785868 /nfs/dbraw/zinc/78/58/68/1268785868.db2.gz AQUUKYFONDWFKQ-QGZVFWFLSA-N 2 1 366.510 0.466 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001341625880 1269116761 /nfs/dbraw/zinc/11/67/61/1269116761.db2.gz CLZUNGFHIVMFLP-HXUWFJFHSA-N 2 1 360.502 0.555 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001566048331 1269580683 /nfs/dbraw/zinc/58/06/83/1269580683.db2.gz JUWZTVBTDTUKHV-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001573006261 1270489798 /nfs/dbraw/zinc/48/97/98/1270489798.db2.gz XAAJHWVHPUCTCD-IKGGRYGDSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001573006261 1270489801 /nfs/dbraw/zinc/48/98/01/1270489801.db2.gz XAAJHWVHPUCTCD-IKGGRYGDSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001573006261 1270489806 /nfs/dbraw/zinc/48/98/06/1270489806.db2.gz XAAJHWVHPUCTCD-IKGGRYGDSA-N 2 1 366.506 0.031 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001573069229 1270590659 /nfs/dbraw/zinc/59/06/59/1270590659.db2.gz ITPHWEAWAYJPGR-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001573069229 1270590668 /nfs/dbraw/zinc/59/06/68/1270590668.db2.gz ITPHWEAWAYJPGR-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001573069229 1270590671 /nfs/dbraw/zinc/59/06/71/1270590671.db2.gz ITPHWEAWAYJPGR-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001573069229 1270590674 /nfs/dbraw/zinc/59/06/74/1270590674.db2.gz ITPHWEAWAYJPGR-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574252493 1271121988 /nfs/dbraw/zinc/12/19/88/1271121988.db2.gz JFWWPKFQFGNVIL-CYBMUJFWSA-N 2 1 358.450 0.284 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574253892 1271123199 /nfs/dbraw/zinc/12/31/99/1271123199.db2.gz ZZBBJTNQRGIDIK-UHFFFAOYSA-N 2 1 372.477 0.674 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255964 1271127821 /nfs/dbraw/zinc/12/78/21/1271127821.db2.gz VZZDOYFMZFKITF-ZIAGYGMSSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260792 1271135503 /nfs/dbraw/zinc/13/55/03/1271135503.db2.gz XKEQBAPTUDOUNZ-UHFFFAOYSA-N 2 1 363.441 0.894 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260792 1271135510 /nfs/dbraw/zinc/13/55/10/1271135510.db2.gz XKEQBAPTUDOUNZ-UHFFFAOYSA-N 2 1 363.441 0.894 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260792 1271135514 /nfs/dbraw/zinc/13/55/14/1271135514.db2.gz XKEQBAPTUDOUNZ-UHFFFAOYSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597794 1271402164 /nfs/dbraw/zinc/40/21/64/1271402164.db2.gz QHVSTOPSVSAGNB-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603274 1271407368 /nfs/dbraw/zinc/40/73/68/1271407368.db2.gz BLQLWIAWAJOQAY-CHWSQXEVSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574854363 1271606349 /nfs/dbraw/zinc/60/63/49/1271606349.db2.gz LQSYFRFWVIBFFL-AWEZNQCLSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909579 1271672517 /nfs/dbraw/zinc/67/25/17/1271672517.db2.gz PRQQUDZXXUPJSO-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP CC(C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001575682467 1272294983 /nfs/dbraw/zinc/29/49/83/1272294983.db2.gz PUPBPRLJSHKUCH-KFWWJZLASA-N 2 1 363.510 0.490 20 0 FCADMP C[C@@H]([NH2+]CCc1c[nH]nn1)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688685 1272300457 /nfs/dbraw/zinc/30/04/57/1272300457.db2.gz BSPZSOVJZUWFDI-CABCVRRESA-N 2 1 374.493 0.246 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2nncn2C)CC1 ZINC001575700362 1272320906 /nfs/dbraw/zinc/32/09/06/1272320906.db2.gz QHEUMCKZFPKRKH-GASCZTMLSA-N 2 1 373.509 0.580 20 0 FCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001580680188 1278703464 /nfs/dbraw/zinc/70/34/64/1278703464.db2.gz HXMYQCQLGVXEQK-INIZCTEOSA-N 2 1 354.495 0.699 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989787 1272650666 /nfs/dbraw/zinc/65/06/66/1272650666.db2.gz CJGWVDUHHYYXJX-QLFBSQMISA-N 2 1 363.510 0.684 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC2(C1)CC[NH2+]C2 ZINC001576007940 1272698490 /nfs/dbraw/zinc/69/84/90/1272698490.db2.gz JZFWTLQLNYTODP-MRXNPFEDSA-N 2 1 358.490 0.597 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576112480 1272903318 /nfs/dbraw/zinc/90/33/18/1272903318.db2.gz WFLYKFLHOZYUOH-CVEARBPZSA-N 2 1 360.506 0.907 20 0 FCADMP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001576201820 1272987496 /nfs/dbraw/zinc/98/74/96/1272987496.db2.gz YZLISXKYDYKUTE-HRCADAONSA-N 2 1 353.511 0.160 20 0 FCADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001576257478 1273043066 /nfs/dbraw/zinc/04/30/66/1273043066.db2.gz AYPFJCXCMAKVAI-SUMWQHHRSA-N 2 1 358.483 0.049 20 0 FCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497087 1273354307 /nfs/dbraw/zinc/35/43/07/1273354307.db2.gz BSCYYSOXCZPUAQ-JKSUJKDBSA-N 2 1 357.462 0.897 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500286 1273364368 /nfs/dbraw/zinc/36/43/68/1273364368.db2.gz XMJRRMIHDZXGRD-HZPDHXFCSA-N 2 1 357.462 0.897 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500285 1273364549 /nfs/dbraw/zinc/36/45/49/1273364549.db2.gz XMJRRMIHDZXGRD-HOTGVXAUSA-N 2 1 357.462 0.897 20 0 FCADMP CCOCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001576583111 1273463008 /nfs/dbraw/zinc/46/30/08/1273463008.db2.gz OCFZQYDOJROFAY-KRWDZBQOSA-N 2 1 366.510 0.974 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795227 1273695739 /nfs/dbraw/zinc/69/57/39/1273695739.db2.gz HQZJZOSSZYENJY-RYUDHWBXSA-N 2 1 363.491 0.864 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796302 1273701168 /nfs/dbraw/zinc/70/11/68/1273701168.db2.gz OEGGUSZIVZCQJX-HOTGVXAUSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796302 1273701174 /nfs/dbraw/zinc/70/11/74/1273701174.db2.gz OEGGUSZIVZCQJX-HOTGVXAUSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1C[NH3+] ZINC001576801689 1273707334 /nfs/dbraw/zinc/70/73/34/1273707334.db2.gz SXCCCCVSWBCGOT-OLZOCXBDSA-N 2 1 354.476 0.579 20 0 FCADMP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001576822741 1273744018 /nfs/dbraw/zinc/74/40/18/1273744018.db2.gz AIOLGBHJRNMMBC-FMKPAKJESA-N 2 1 374.493 0.183 20 0 FCADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825839 1273750565 /nfs/dbraw/zinc/75/05/65/1273750565.db2.gz XAKRCGIDENJAJT-CYBMUJFWSA-N 2 1 372.477 0.783 20 0 FCADMP C[C@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828552 1273755446 /nfs/dbraw/zinc/75/54/46/1273755446.db2.gz IHNKCSFPNPHLDR-GOEBONIOSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@H]1CN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828552 1273755454 /nfs/dbraw/zinc/75/54/54/1273755454.db2.gz IHNKCSFPNPHLDR-GOEBONIOSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@H]1CN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828552 1273755456 /nfs/dbraw/zinc/75/54/56/1273755456.db2.gz IHNKCSFPNPHLDR-GOEBONIOSA-N 2 1 361.538 0.965 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576843166 1273781976 /nfs/dbraw/zinc/78/19/76/1273781976.db2.gz WHINLPDDMVPFDY-MGPQQGTHSA-N 2 1 372.477 0.639 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001576995064 1274028228 /nfs/dbraw/zinc/02/82/28/1274028228.db2.gz IKKHWPJQGMCRLH-GJZGRUSLSA-N 2 1 365.526 0.932 20 0 FCADMP CC[C@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577137627 1274188956 /nfs/dbraw/zinc/18/89/56/1274188956.db2.gz GNJNOWPAINMRPN-GJZGRUSLSA-N 2 1 352.483 0.288 20 0 FCADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001577530640 1274473781 /nfs/dbraw/zinc/47/37/81/1274473781.db2.gz MJMSYCVQWWDWOJ-ZBFHGGJFSA-N 2 1 358.494 0.948 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577553799 1274495801 /nfs/dbraw/zinc/49/58/01/1274495801.db2.gz JBDFXOOZCDCTAT-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555439 1274496545 /nfs/dbraw/zinc/49/65/45/1274496545.db2.gz ZMFKQQLVQXINEX-CQSZACIVSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554412 1274497617 /nfs/dbraw/zinc/49/76/17/1274497617.db2.gz RNRWIVPEDNTNGJ-CQSZACIVSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577560428 1274507691 /nfs/dbraw/zinc/50/76/91/1274507691.db2.gz DXLLYTNJADVKAC-HNNXBMFYSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561356 1274511548 /nfs/dbraw/zinc/51/15/48/1274511548.db2.gz XPCFXWXPZCTDHF-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561356 1274511555 /nfs/dbraw/zinc/51/15/55/1274511555.db2.gz XPCFXWXPZCTDHF-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561356 1274511561 /nfs/dbraw/zinc/51/15/61/1274511561.db2.gz XPCFXWXPZCTDHF-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577567863 1274523711 /nfs/dbraw/zinc/52/37/11/1274523711.db2.gz JMTPSYLCIDVKLY-HIFRSBDPSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570649 1274531625 /nfs/dbraw/zinc/53/16/25/1274531625.db2.gz BXBALXKOMTZDJD-STQMWFEESA-N 2 1 360.466 0.721 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573870 1274538045 /nfs/dbraw/zinc/53/80/45/1274538045.db2.gz FSZMWERKMTUUBL-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573870 1274538050 /nfs/dbraw/zinc/53/80/50/1274538050.db2.gz FSZMWERKMTUUBL-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668159 1274688955 /nfs/dbraw/zinc/68/89/55/1274688955.db2.gz IWRRZBURPUELII-IUODEOHRSA-N 2 1 358.450 0.475 20 0 FCADMP CC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704256 1274766267 /nfs/dbraw/zinc/76/62/67/1274766267.db2.gz ILNKZPUGPLGUBJ-ZFWWWQNUSA-N 2 1 353.463 0.755 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([NH2+]C)C1)C(C)C ZINC001577731435 1274807773 /nfs/dbraw/zinc/80/77/73/1274807773.db2.gz QECZXCUFISHGPH-HNNXBMFYSA-N 2 1 365.526 0.945 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@H]1C ZINC001577760599 1274843087 /nfs/dbraw/zinc/84/30/87/1274843087.db2.gz YRHUUTWIPICRNE-QLFBSQMISA-N 2 1 363.510 0.887 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC001577763610 1274848656 /nfs/dbraw/zinc/84/86/56/1274848656.db2.gz FYRBXLKTNNLPMI-DZKIICNBSA-N 2 1 358.494 0.804 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849792 1274987482 /nfs/dbraw/zinc/98/74/82/1274987482.db2.gz ZCABLIXBKZWBRI-CYBMUJFWSA-N 2 1 360.466 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577851851 1274990875 /nfs/dbraw/zinc/99/08/75/1274990875.db2.gz DBZAFIFEOARHMD-STQMWFEESA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852070 1274994184 /nfs/dbraw/zinc/99/41/84/1274994184.db2.gz JGELOBCLPKMSGP-KGLIPLIRSA-N 2 1 372.477 0.532 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577851850 1274994590 /nfs/dbraw/zinc/99/45/90/1274994590.db2.gz DBZAFIFEOARHMD-QWHCGFSZSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577859684 1275017099 /nfs/dbraw/zinc/01/70/99/1275017099.db2.gz LZXJIEBVYJUBTL-XJKSGUPXSA-N 2 1 370.461 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577859684 1275017103 /nfs/dbraw/zinc/01/71/03/1275017103.db2.gz LZXJIEBVYJUBTL-XJKSGUPXSA-N 2 1 370.461 0.641 20 0 FCADMP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001577861658 1275027890 /nfs/dbraw/zinc/02/78/90/1275027890.db2.gz YYPWZXFBCUSJMI-HOCLYGCPSA-N 2 1 358.494 0.961 20 0 FCADMP CC[NH2+]CCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577868720 1275052236 /nfs/dbraw/zinc/05/22/36/1275052236.db2.gz FWQSAKXIBACXEE-HOTGVXAUSA-N 2 1 364.494 0.302 20 0 FCADMP CC[NH2+]CCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577868720 1275052245 /nfs/dbraw/zinc/05/22/45/1275052245.db2.gz FWQSAKXIBACXEE-HOTGVXAUSA-N 2 1 364.494 0.302 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577869638 1275054931 /nfs/dbraw/zinc/05/49/31/1275054931.db2.gz LKHCNSORTAYOKU-HZPDHXFCSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577869826 1275055856 /nfs/dbraw/zinc/05/58/56/1275055856.db2.gz YMGJTSOGNGNOKB-TZMCWYRMSA-N 2 1 358.450 0.544 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577869826 1275055858 /nfs/dbraw/zinc/05/58/58/1275055858.db2.gz YMGJTSOGNGNOKB-TZMCWYRMSA-N 2 1 358.450 0.544 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577869630 1275057349 /nfs/dbraw/zinc/05/73/49/1275057349.db2.gz KVURRFGYTQJPPG-LLVKDONJSA-N 2 1 351.480 0.864 20 0 FCADMP CC[NH2+]CCn1c(COCC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001577871837 1275060791 /nfs/dbraw/zinc/06/07/91/1275060791.db2.gz MGYOPVCTKSBFAL-GOSISDBHSA-N 2 1 366.510 0.725 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)C[NH3+])CC1 ZINC001578115179 1275416201 /nfs/dbraw/zinc/41/62/01/1275416201.db2.gz ASINTBAJGYKURB-HZPDHXFCSA-N 2 1 366.510 0.535 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[NH2+]C)CC1 ZINC001578115385 1275417388 /nfs/dbraw/zinc/41/73/88/1275417388.db2.gz IPMRSLHDHVQQGP-UHFFFAOYSA-N 2 1 373.505 0.642 20 0 FCADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH2+]C ZINC001578128945 1275427478 /nfs/dbraw/zinc/42/74/78/1275427478.db2.gz FDPVMJIMFJGFRI-HZPDHXFCSA-N 2 1 366.510 0.581 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC001578157417 1275457185 /nfs/dbraw/zinc/45/71/85/1275457185.db2.gz DHAHKGIPEKMCKJ-NVXWUHKLSA-N 2 1 353.488 0.415 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219911 1275517302 /nfs/dbraw/zinc/51/73/02/1275517302.db2.gz SMJNNFXZTAOFBU-XJKSGUPXSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219761 1275517467 /nfs/dbraw/zinc/51/74/67/1275517467.db2.gz QCMHMJVILZFFIH-CJNGLKHVSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220872 1275518740 /nfs/dbraw/zinc/51/87/40/1275518740.db2.gz BHOBMWRHENMQOZ-WFASDCNBSA-N 2 1 358.450 0.475 20 0 FCADMP CCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001578331292 1275676799 /nfs/dbraw/zinc/67/67/99/1275676799.db2.gz RKTQEYKJKBYPGJ-GJYPPUQNSA-N 2 1 361.538 0.652 20 0 FCADMP CN(C)C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412498 1275783405 /nfs/dbraw/zinc/78/34/05/1275783405.db2.gz OBQOKZYGEZVDEZ-SJORKVTESA-N 2 1 352.523 0.759 20 0 FCADMP CN(C)C[C@H]1COC2(CCCC2)C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412498 1275783412 /nfs/dbraw/zinc/78/34/12/1275783412.db2.gz OBQOKZYGEZVDEZ-SJORKVTESA-N 2 1 352.523 0.759 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[NH+](C)C ZINC001578421930 1275789987 /nfs/dbraw/zinc/78/99/87/1275789987.db2.gz MABGCSBDJCJNOI-VVLHAWIVSA-N 2 1 369.473 0.753 20 0 FCADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452114 1275849171 /nfs/dbraw/zinc/84/91/71/1275849171.db2.gz OUDAHGBKJHPKFY-NEPJUHHUSA-N 2 1 350.385 0.279 20 0 FCADMP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578524252 1275957717 /nfs/dbraw/zinc/95/77/17/1275957717.db2.gz CANAKPXTURPFKE-OKZBNKHCSA-N 2 1 352.523 0.770 20 0 FCADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@@]4(C[NH3+])CO)cc3c2C1 ZINC001578540894 1275968827 /nfs/dbraw/zinc/96/88/27/1275968827.db2.gz GCVGMJYCSFMRCS-LJQANCHMSA-N 2 1 358.442 0.318 20 0 FCADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@@]4(C[NH3+])CO)cc3c2C1 ZINC001578540894 1275968833 /nfs/dbraw/zinc/96/88/33/1275968833.db2.gz GCVGMJYCSFMRCS-LJQANCHMSA-N 2 1 358.442 0.318 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001578609480 1276045181 /nfs/dbraw/zinc/04/51/81/1276045181.db2.gz UIQJUUZFHSMNIY-CVEARBPZSA-N 2 1 373.505 0.918 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001578841295 1276360042 /nfs/dbraw/zinc/36/00/42/1276360042.db2.gz BLQULEPWJAILAH-FQRJBHLQSA-N 2 1 350.463 0.535 20 0 FCADMP COC(=O)c1cnc([C@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)s1 ZINC001578883198 1276414604 /nfs/dbraw/zinc/41/46/04/1276414604.db2.gz QHDGGKPVVAVPHO-LBPRGKRZSA-N 2 1 352.460 0.541 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578974723 1276522424 /nfs/dbraw/zinc/52/24/24/1276522424.db2.gz RMPFVMKDHLFFTB-OKILXGFUSA-N 2 1 370.461 0.783 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578976804 1276530414 /nfs/dbraw/zinc/53/04/14/1276530414.db2.gz FXOXOOGIXQWTNF-DZGCQCFKSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001578977425 1276531560 /nfs/dbraw/zinc/53/15/60/1276531560.db2.gz ORMIYKVKRPWFSZ-XJKSGUPXSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578977664 1276534270 /nfs/dbraw/zinc/53/42/70/1276534270.db2.gz UMAFPZOMDIUQKX-UHFFFAOYSA-N 2 1 357.462 0.853 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578980138 1276540691 /nfs/dbraw/zinc/54/06/91/1276540691.db2.gz BHFVWRBQNFJCHN-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578981197 1276542561 /nfs/dbraw/zinc/54/25/61/1276542561.db2.gz SXYWJFSPBFNCLU-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001578987461 1276557663 /nfs/dbraw/zinc/55/76/63/1276557663.db2.gz DUJHVKSEBNVXAG-HALDLXJZSA-N 2 1 373.436 0.504 20 0 FCADMP CN(CCC[N@@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1)CC[NH+](C)C ZINC001578991284 1276565537 /nfs/dbraw/zinc/56/55/37/1276565537.db2.gz VEDBGLYQCSBTTK-KRWDZBQOSA-N 2 1 361.494 0.715 20 0 FCADMP CN(CCC[N@@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)CC[NH+](C)C ZINC001578991285 1276565997 /nfs/dbraw/zinc/56/59/97/1276565997.db2.gz VEDBGLYQCSBTTK-QGZVFWFLSA-N 2 1 361.494 0.715 20 0 FCADMP C[N@@H+](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001579007230 1276581587 /nfs/dbraw/zinc/58/15/87/1276581587.db2.gz QCONNPFDVUWDKD-AWEZNQCLSA-N 2 1 370.461 0.571 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCCOCC1 ZINC001579014427 1276587020 /nfs/dbraw/zinc/58/70/20/1276587020.db2.gz NVNOLJKAGPPKBY-IYBDPMFKSA-N 2 1 366.510 0.678 20 0 FCADMP COCC[N@@H+](C)CCCn1c(CC2CC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021012 1276599134 /nfs/dbraw/zinc/59/91/34/1276599134.db2.gz JFZUWOFQAQMNNI-OAHLLOKOSA-N 2 1 350.511 0.997 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001579021266 1276599602 /nfs/dbraw/zinc/59/96/02/1276599602.db2.gz LJDQCBXQSLYUOC-HUUCEWRRSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579025888 1276609039 /nfs/dbraw/zinc/60/90/39/1276609039.db2.gz HKORCMBJSMXBFO-HNNXBMFYSA-N 2 1 362.482 0.184 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037168 1276621177 /nfs/dbraw/zinc/62/11/77/1276621177.db2.gz IRELVHVIISYJGC-ARFHVFGLSA-N 2 1 354.495 0.047 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323924 1277143887 /nfs/dbraw/zinc/14/38/87/1277143887.db2.gz ZFNXDABZIJFIGY-OLZOCXBDSA-N 2 1 356.434 0.251 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323924 1277143916 /nfs/dbraw/zinc/14/39/16/1277143916.db2.gz ZFNXDABZIJFIGY-OLZOCXBDSA-N 2 1 356.434 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326307 1277149940 /nfs/dbraw/zinc/14/99/40/1277149940.db2.gz JJNHDTSKYOEIHN-STQMWFEESA-N 2 1 356.434 0.038 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327196 1277152286 /nfs/dbraw/zinc/15/22/86/1277152286.db2.gz QCQPCXKFFXEJNZ-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327196 1277152291 /nfs/dbraw/zinc/15/22/91/1277152291.db2.gz QCQPCXKFFXEJNZ-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327196 1277152293 /nfs/dbraw/zinc/15/22/93/1277152293.db2.gz QCQPCXKFFXEJNZ-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327425 1277154025 /nfs/dbraw/zinc/15/40/25/1277154025.db2.gz SLJMWVGWLLWYJG-CHWSQXEVSA-N 2 1 356.434 0.251 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327425 1277154029 /nfs/dbraw/zinc/15/40/29/1277154029.db2.gz SLJMWVGWLLWYJG-CHWSQXEVSA-N 2 1 356.434 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331357 1277160052 /nfs/dbraw/zinc/16/00/52/1277160052.db2.gz AUXZVINJRJZYOI-IRXDYDNUSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331602 1277161411 /nfs/dbraw/zinc/16/14/11/1277161411.db2.gz CWTCIBFJKJBCMU-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331602 1277161412 /nfs/dbraw/zinc/16/14/12/1277161412.db2.gz CWTCIBFJKJBCMU-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331602 1277161413 /nfs/dbraw/zinc/16/14/13/1277161413.db2.gz CWTCIBFJKJBCMU-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001579331726 1277162683 /nfs/dbraw/zinc/16/26/83/1277162683.db2.gz HDZSPBLPWMSMKT-LLVKDONJSA-N 2 1 361.475 0.618 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579332535 1277165778 /nfs/dbraw/zinc/16/57/78/1277165778.db2.gz LEUSXEJROZNMDY-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579332303 1277165963 /nfs/dbraw/zinc/16/59/63/1277165963.db2.gz JLNGUORAAYUXPX-WIHSUSGWSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333021 1277166409 /nfs/dbraw/zinc/16/64/09/1277166409.db2.gz NRQHUTFTTXFHPT-XIKOKIGWSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333854 1277169103 /nfs/dbraw/zinc/16/91/03/1277169103.db2.gz SNAVQMYJUXHRFK-LPHOPBHVSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333854 1277169106 /nfs/dbraw/zinc/16/91/06/1277169106.db2.gz SNAVQMYJUXHRFK-LPHOPBHVSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333854 1277169108 /nfs/dbraw/zinc/16/91/08/1277169108.db2.gz SNAVQMYJUXHRFK-LPHOPBHVSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333985 1277171113 /nfs/dbraw/zinc/17/11/13/1277171113.db2.gz UEPARXJQWBPQHS-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333985 1277171114 /nfs/dbraw/zinc/17/11/14/1277171114.db2.gz UEPARXJQWBPQHS-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333985 1277171115 /nfs/dbraw/zinc/17/11/15/1277171115.db2.gz UEPARXJQWBPQHS-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333985 1277171116 /nfs/dbraw/zinc/17/11/16/1277171116.db2.gz UEPARXJQWBPQHS-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334795 1277173580 /nfs/dbraw/zinc/17/35/80/1277173580.db2.gz HBFSQZNWCUMTHA-INIZCTEOSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341563 1277188242 /nfs/dbraw/zinc/18/82/42/1277188242.db2.gz OXZAZMBWWHXAQL-CYBMUJFWSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344928 1277196572 /nfs/dbraw/zinc/19/65/72/1277196572.db2.gz IMUVCEKQZKKKFI-UONOGXRCSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358156 1277224145 /nfs/dbraw/zinc/22/41/45/1277224145.db2.gz AIPBTERHHSREHM-IAGOWNOFSA-N 2 1 369.473 0.945 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358588 1277226668 /nfs/dbraw/zinc/22/66/68/1277226668.db2.gz GNPABRGBHCBSPS-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358588 1277226673 /nfs/dbraw/zinc/22/66/73/1277226673.db2.gz GNPABRGBHCBSPS-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359143 1277231227 /nfs/dbraw/zinc/23/12/27/1277231227.db2.gz OWOZQQBMZFBPIL-YPQKKHBXSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361246 1277234797 /nfs/dbraw/zinc/23/47/97/1277234797.db2.gz KRBDCPZMEVEZOK-ZDUSSCGKSA-N 2 1 370.461 0.619 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366258 1277247222 /nfs/dbraw/zinc/24/72/22/1277247222.db2.gz QKDJGDIQTBQBPQ-CJNGLKHVSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579369230 1277251801 /nfs/dbraw/zinc/25/18/01/1277251801.db2.gz VSGJXDBOOBXXEX-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001579397424 1277279273 /nfs/dbraw/zinc/27/92/73/1277279273.db2.gz XCISEMNBXHBAPI-INIZCTEOSA-N 3 1 350.511 0.350 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001579397424 1277279278 /nfs/dbraw/zinc/27/92/78/1277279278.db2.gz XCISEMNBXHBAPI-INIZCTEOSA-N 3 1 350.511 0.350 20 0 FCADMP Cc1nc2n(n1)CCN(c1nnc(C3CC3)n1CCC[N@@H+](C)CCC[NH3+])C2 ZINC001579873248 1277945719 /nfs/dbraw/zinc/94/57/19/1277945719.db2.gz HLOLWOBJVKIDLH-UHFFFAOYSA-N 2 1 373.509 0.746 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@H](C(=O)N3CC[NH2+]CC3)C1)C2 ZINC001579877380 1277948123 /nfs/dbraw/zinc/94/81/23/1277948123.db2.gz LLQJBXYJTJHGEL-CVEARBPZSA-N 2 1 359.474 0.424 20 0 FCADMP Cc1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910859 1277958849 /nfs/dbraw/zinc/95/88/49/1277958849.db2.gz BZOCYUQJWCLJNF-KRWDZBQOSA-N 2 1 352.483 0.253 20 0 FCADMP Cc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910283 1277959103 /nfs/dbraw/zinc/95/91/03/1277959103.db2.gz HLEIMMJQNRJTPU-KRWDZBQOSA-N 2 1 365.482 0.288 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580277025 1278071502 /nfs/dbraw/zinc/07/15/02/1278071502.db2.gz QVBBAVPGSHKHOV-WCQYABFASA-N 2 1 361.425 0.552 20 0 FCADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC001580857874 1279052958 /nfs/dbraw/zinc/05/29/58/1279052958.db2.gz ADONYCHRAWAMCS-QXSJWSMHSA-N 2 1 353.463 0.300 20 0 FCADMP O=C1[C@H]2C[N@H+](C[C@]3(O)CCC[NH2+]CC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001580858184 1279053730 /nfs/dbraw/zinc/05/37/30/1279053730.db2.gz DOYBNIBOZVTMNP-QKLQHJQFSA-N 2 1 357.454 0.608 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001714493455 1287323230 /nfs/dbraw/zinc/32/32/30/1287323230.db2.gz UAVNOIHFZPJNKX-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714541919 1287325057 /nfs/dbraw/zinc/32/50/57/1287325057.db2.gz CTPSENZJKNIAMM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714541919 1287325060 /nfs/dbraw/zinc/32/50/60/1287325060.db2.gz CTPSENZJKNIAMM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714541919 1287325065 /nfs/dbraw/zinc/32/50/65/1287325065.db2.gz CTPSENZJKNIAMM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714541919 1287325071 /nfs/dbraw/zinc/32/50/71/1287325071.db2.gz CTPSENZJKNIAMM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940524 1279148526 /nfs/dbraw/zinc/14/85/26/1279148526.db2.gz AUCRYAZNRIGGPF-MGPQQGTHSA-N 2 1 372.477 0.851 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974073 1279174952 /nfs/dbraw/zinc/17/49/52/1279174952.db2.gz KUVNONBYOPITEL-KCPJHIHWSA-N 2 1 370.461 0.605 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994990 1279203929 /nfs/dbraw/zinc/20/39/29/1279203929.db2.gz VEXYASVSBXWYPE-ZIAGYGMSSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996045 1279207129 /nfs/dbraw/zinc/20/71/29/1279207129.db2.gz UTWISCJJGUMQPQ-CHWSQXEVSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005708 1279222159 /nfs/dbraw/zinc/22/21/59/1279222159.db2.gz BEIKNKVQUODTNX-CYBMUJFWSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006134 1279224533 /nfs/dbraw/zinc/22/45/33/1279224533.db2.gz LKQYBNZJGGIQAF-UONOGXRCSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010180 1279236708 /nfs/dbraw/zinc/23/67/08/1279236708.db2.gz GPTVLGCDGNMQEW-JSGCOSHPSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024405 1279254897 /nfs/dbraw/zinc/25/48/97/1279254897.db2.gz HQWRCHPPMRDVKF-AAEUAGOBSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028390 1279265116 /nfs/dbraw/zinc/26/51/16/1279265116.db2.gz UINDWDXWHSFNEW-LBPRGKRZSA-N 2 1 358.450 0.204 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038627 1279274689 /nfs/dbraw/zinc/27/46/89/1279274689.db2.gz SGOKKQZKWRFCJO-IHRRRGAJSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038628 1279274919 /nfs/dbraw/zinc/27/49/19/1279274919.db2.gz SGOKKQZKWRFCJO-MGPQQGTHSA-N 2 1 370.461 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)CCCC2)CC[N@H+]1C ZINC001715095089 1287344538 /nfs/dbraw/zinc/34/45/38/1287344538.db2.gz OLLDWWAVQJNDRX-OWCLPIDISA-N 2 1 371.547 0.780 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581340426 1279722014 /nfs/dbraw/zinc/72/20/14/1279722014.db2.gz QYWLQAAVVBMRPI-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581340821 1279724664 /nfs/dbraw/zinc/72/46/64/1279724664.db2.gz VFTIKZWNHBLCSI-CYBMUJFWSA-N 2 1 368.445 0.914 20 0 FCADMP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001603459663 1287377539 /nfs/dbraw/zinc/37/75/39/1287377539.db2.gz XJLAVDUJCNFQEZ-CHWSQXEVSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001603477139 1287385023 /nfs/dbraw/zinc/38/50/23/1287385023.db2.gz ZBPHMFLUIZZLLC-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581565299 1280144396 /nfs/dbraw/zinc/14/43/96/1280144396.db2.gz IOYLBFCDLGSIED-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1nnsc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717318927 1287418263 /nfs/dbraw/zinc/41/82/63/1287418263.db2.gz OSIFVIZRKHWCFP-ZIAGYGMSSA-N 2 1 367.519 0.630 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603598556 1287432812 /nfs/dbraw/zinc/43/28/12/1287432812.db2.gz IUUGQQGEDLOVDO-XZJROXQQSA-N 2 1 355.446 0.782 20 0 FCADMP O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001582319606 1281336032 /nfs/dbraw/zinc/33/60/32/1281336032.db2.gz FZYODFPREUELIQ-HIFRSBDPSA-N 2 1 368.445 0.298 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198606 1287586657 /nfs/dbraw/zinc/58/66/57/1287586657.db2.gz OOSQNLPPEIXMOS-OLZOCXBDSA-N 2 1 360.466 0.721 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716276 1282957929 /nfs/dbraw/zinc/95/79/29/1282957929.db2.gz GACKIRYTDXIHAY-QDLOVBKTSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956968 1283146581 /nfs/dbraw/zinc/14/65/81/1283146581.db2.gz FBVSJYWQMSTBKJ-CZUORRHYSA-N 2 1 358.446 0.846 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590624094 1283663223 /nfs/dbraw/zinc/66/32/23/1283663223.db2.gz CQADZHXGNSFMEJ-INIZCTEOSA-N 2 1 357.462 0.902 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590624094 1283663239 /nfs/dbraw/zinc/66/32/39/1283663239.db2.gz CQADZHXGNSFMEJ-INIZCTEOSA-N 2 1 357.462 0.902 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590733552 1283766374 /nfs/dbraw/zinc/76/63/74/1283766374.db2.gz UAEMMWVEKDGQBP-HNNXBMFYSA-N 2 1 358.450 0.395 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(-c2nn[nH]n2)c1 ZINC001590732953 1283767460 /nfs/dbraw/zinc/76/74/60/1283767460.db2.gz LLLYZZTXSAUYEN-CQSZACIVSA-N 2 1 361.450 0.948 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(-c2nn[nH]n2)c1 ZINC001590732953 1283767470 /nfs/dbraw/zinc/76/74/70/1283767470.db2.gz LLLYZZTXSAUYEN-CQSZACIVSA-N 2 1 361.450 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001590737436 1283779749 /nfs/dbraw/zinc/77/97/49/1283779749.db2.gz WWLMWUHQLALDHZ-INIZCTEOSA-N 2 1 373.461 0.183 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001590737436 1283779755 /nfs/dbraw/zinc/77/97/55/1283779755.db2.gz WWLMWUHQLALDHZ-INIZCTEOSA-N 2 1 373.461 0.183 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001683325877 1283943193 /nfs/dbraw/zinc/94/31/93/1283943193.db2.gz YSBYPAPNNRUVKY-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590981744 1284038774 /nfs/dbraw/zinc/03/87/74/1284038774.db2.gz NSVBGURTARJZAM-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172508 1284254103 /nfs/dbraw/zinc/25/41/03/1284254103.db2.gz VSKGQOSECJRCIV-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172508 1284254114 /nfs/dbraw/zinc/25/41/14/1284254114.db2.gz VSKGQOSECJRCIV-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172508 1284254123 /nfs/dbraw/zinc/25/41/23/1284254123.db2.gz VSKGQOSECJRCIV-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175329 1284262482 /nfs/dbraw/zinc/26/24/82/1284262482.db2.gz LOOKPUWGVVKOMV-FOSCPCJNSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591176865 1284268560 /nfs/dbraw/zinc/26/85/60/1284268560.db2.gz WHZZSFWMKFEUJB-XIRDDKMYSA-N 2 1 369.473 0.945 20 0 FCADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591181868 1284285383 /nfs/dbraw/zinc/28/53/83/1284285383.db2.gz MDLYCGAIDGQRBX-AWEZNQCLSA-N 2 1 358.446 0.777 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186577 1284294209 /nfs/dbraw/zinc/29/42/09/1284294209.db2.gz UGXGRTTYYGDDNT-SFAKSCPVSA-N 2 1 370.461 0.642 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001591774339 1284896439 /nfs/dbraw/zinc/89/64/39/1284896439.db2.gz AICHRIJEZVSXHZ-NMEQGOOXSA-N 2 1 370.461 0.498 20 0 FCADMP Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592036319 1285080247 /nfs/dbraw/zinc/08/02/47/1285080247.db2.gz JQUZMCHKEABLJT-IYXRBSQSSA-N 2 1 370.461 0.345 20 0 FCADMP Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C2 ZINC001592039997 1285081574 /nfs/dbraw/zinc/08/15/74/1285081574.db2.gz PFFJNKAQTFGBHC-GFCCVEGCSA-N 2 1 354.418 0.459 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995398 1285878721 /nfs/dbraw/zinc/87/87/21/1285878721.db2.gz SRWVEJCQCNABBJ-ZACQAIPSSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995398 1285878729 /nfs/dbraw/zinc/87/87/29/1285878729.db2.gz SRWVEJCQCNABBJ-ZACQAIPSSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037390 1285923141 /nfs/dbraw/zinc/92/31/41/1285923141.db2.gz DIQCOOXLQZKURD-RHSMWYFYSA-N 2 1 369.473 0.947 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228508 1287076748 /nfs/dbraw/zinc/07/67/48/1287076748.db2.gz QLXGJASRMCFTIQ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228508 1287076763 /nfs/dbraw/zinc/07/67/63/1287076763.db2.gz QLXGJASRMCFTIQ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228508 1287076774 /nfs/dbraw/zinc/07/67/74/1287076774.db2.gz QLXGJASRMCFTIQ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1cc(N(C)C[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687706 1288052137 /nfs/dbraw/zinc/05/21/37/1288052137.db2.gz XCRZFXANSRZLGS-DZGCQCFKSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(NCCCN(C)C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605734162 1288066733 /nfs/dbraw/zinc/06/67/33/1288066733.db2.gz YJWPCGCERUEKDE-UHFFFAOYSA-N 2 1 360.466 0.593 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CC[NH+]1CCOCC1 ZINC001721210431 1288311392 /nfs/dbraw/zinc/31/13/92/1288311392.db2.gz FZZBQOMTHGGXAN-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CC[NH+]1CCOCC1 ZINC001721210431 1288311396 /nfs/dbraw/zinc/31/13/96/1288311396.db2.gz FZZBQOMTHGGXAN-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP [NH3+][C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001606436335 1288316510 /nfs/dbraw/zinc/31/65/10/1288316510.db2.gz YFEPCGQCGJUZAZ-IRXDYDNUSA-N 2 1 363.425 0.870 20 0 FCADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721595981 1288354160 /nfs/dbraw/zinc/35/41/60/1288354160.db2.gz HTKILHAQDRPRJX-ZMSDIMECSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCCCC3)CC2)CC[N@H+]1C ZINC001723516812 1288424910 /nfs/dbraw/zinc/42/49/10/1288424910.db2.gz DLAGAXVZGJCWFU-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606777592 1288508091 /nfs/dbraw/zinc/50/80/91/1288508091.db2.gz KGBMVIBVDZYRGR-INIZCTEOSA-N 2 1 355.446 0.656 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CCc2c[nH+]cn2C1)COc1ccccc1-c1nn[nH]n1 ZINC001607093973 1288658274 /nfs/dbraw/zinc/65/82/74/1288658274.db2.gz HKUGJMJQPOTXDS-TZMCWYRMSA-N 2 1 355.402 0.408 20 0 FCADMP OC[C@@H]1CC[N@@H+](Cc2cc(C[NH+]3CC[C@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105219 1288663734 /nfs/dbraw/zinc/66/37/34/1288663734.db2.gz BOBPAFRKDQZVFE-GASCZTMLSA-N 2 1 372.473 0.495 20 0 FCADMP OC[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105219 1288663736 /nfs/dbraw/zinc/66/37/36/1288663736.db2.gz BOBPAFRKDQZVFE-GASCZTMLSA-N 2 1 372.473 0.495 20 0 FCADMP OC[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105219 1288663740 /nfs/dbraw/zinc/66/37/40/1288663740.db2.gz BOBPAFRKDQZVFE-GASCZTMLSA-N 2 1 372.473 0.495 20 0 FCADMP O=C(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NCC[NH+]1CCCCCC1 ZINC001609527667 1289197659 /nfs/dbraw/zinc/19/76/59/1289197659.db2.gz OSFFABQBOPFJRY-UHFFFAOYSA-N 2 1 357.462 0.949 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](CCC[C@@H](C)O)CC2)CC[N@H+]1C ZINC001691933777 1289344313 /nfs/dbraw/zinc/34/43/13/1289344313.db2.gz QZOUAXOIQILFDW-CEXWTWQISA-N 2 1 368.566 0.954 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052781 1289376514 /nfs/dbraw/zinc/37/65/14/1289376514.db2.gz JQRLLHXHIOFYCU-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052782 1289376876 /nfs/dbraw/zinc/37/68/76/1289376876.db2.gz JQRLLHXHIOFYCU-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)CC)CC[C@@H]3C2)CC[N@H+]1C ZINC001692061703 1289380501 /nfs/dbraw/zinc/38/05/01/1289380501.db2.gz GWWNHGDXSAPSED-VSZNYVQBSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)CC)CC[C@@H]3C2)CC[NH+]1C ZINC001692061703 1289380511 /nfs/dbraw/zinc/38/05/11/1289380511.db2.gz GWWNHGDXSAPSED-VSZNYVQBSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)CC)CC[C@@H]3C2)CC[NH+]1C ZINC001692061703 1289380519 /nfs/dbraw/zinc/38/05/19/1289380519.db2.gz GWWNHGDXSAPSED-VSZNYVQBSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001692097356 1289399036 /nfs/dbraw/zinc/39/90/36/1289399036.db2.gz JIXUUPOHNBTKTD-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001698026993 1289521568 /nfs/dbraw/zinc/52/15/68/1289521568.db2.gz JRYAUJOXKKNTIF-QGZVFWFLSA-N 2 1 366.510 0.323 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001699101371 1289546481 /nfs/dbraw/zinc/54/64/81/1289546481.db2.gz CGCSQUNMFORIPD-NQBHXWOUSA-N 2 1 368.507 0.610 20 0 FCADMP C[C@H](CC[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699101046 1289546549 /nfs/dbraw/zinc/54/65/49/1289546549.db2.gz AQNPMRHBMJERIP-MGPQQGTHSA-N 2 1 351.499 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC[C@H](C)C2)CC[N@H+]1C ZINC001699261859 1289547504 /nfs/dbraw/zinc/54/75/04/1289547504.db2.gz SLKZYZZYKPURKS-DZEIUGAOSA-N 2 1 350.507 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1C ZINC001699261856 1289548029 /nfs/dbraw/zinc/54/80/29/1289548029.db2.gz SLKZYZZYKPURKS-ANWGSAMYSA-N 2 1 350.507 0.847 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309250 1289549632 /nfs/dbraw/zinc/54/96/32/1289549632.db2.gz XJOQUNAVFOCFAS-ITVKQWQRSA-N 2 1 370.497 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001699363373 1289550531 /nfs/dbraw/zinc/55/05/31/1289550531.db2.gz QEKNHFUORLDNGK-HZSPNIEDSA-N 2 1 367.519 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001699403877 1289552177 /nfs/dbraw/zinc/55/21/77/1289552177.db2.gz QPAYGCKZINGKFS-CWRNSKLLSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCCN2CCCC2=O)C2CC2)CC[N@H+]1C ZINC001699576350 1289558848 /nfs/dbraw/zinc/55/88/48/1289558848.db2.gz NEBFFKMZSWLAHU-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1nonc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001699880069 1289570097 /nfs/dbraw/zinc/57/00/97/1289570097.db2.gz BYNMQBBXMXWLHU-ZIAGYGMSSA-N 2 1 351.451 0.473 20 0 FCADMP Cc1nonc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001699880069 1289570105 /nfs/dbraw/zinc/57/01/05/1289570105.db2.gz BYNMQBBXMXWLHU-ZIAGYGMSSA-N 2 1 351.451 0.473 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001699897892 1289574264 /nfs/dbraw/zinc/57/42/64/1289574264.db2.gz KTMJPJYGGOVETD-YQVWRLOYSA-N 2 1 363.506 0.512 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3cn(C)nc3C)C2)CC[NH+]1C ZINC001699897892 1289574268 /nfs/dbraw/zinc/57/42/68/1289574268.db2.gz KTMJPJYGGOVETD-YQVWRLOYSA-N 2 1 363.506 0.512 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3cn(C)nc3C)C2)CC[NH+]1C ZINC001699897892 1289574277 /nfs/dbraw/zinc/57/42/77/1289574277.db2.gz KTMJPJYGGOVETD-YQVWRLOYSA-N 2 1 363.506 0.512 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Cn1cc[nH+]c1C ZINC001739118565 1289810526 /nfs/dbraw/zinc/81/05/26/1289810526.db2.gz WAGRDSHSZUMSRY-GDBMZVCRSA-N 2 1 365.478 0.123 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Cn1cc[nH+]c1C ZINC001739118565 1289810538 /nfs/dbraw/zinc/81/05/38/1289810538.db2.gz WAGRDSHSZUMSRY-GDBMZVCRSA-N 2 1 365.478 0.123 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCO[C@H](C)C2)C2CC2)CC[N@@H+]1C ZINC001753154801 1290622150 /nfs/dbraw/zinc/62/21/50/1290622150.db2.gz QPXVZLVYNWWTHY-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCO[C@H](C)C2)C2CC2)CC[N@H+]1C ZINC001753154801 1290622158 /nfs/dbraw/zinc/62/21/58/1290622158.db2.gz QPXVZLVYNWWTHY-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C2CC2)CC[NH+]1C ZINC001753154801 1290622166 /nfs/dbraw/zinc/62/21/66/1290622166.db2.gz QPXVZLVYNWWTHY-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C2CC2)CC[NH+]1C ZINC001753154801 1290622173 /nfs/dbraw/zinc/62/21/73/1290622173.db2.gz QPXVZLVYNWWTHY-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC1=O ZINC001648051561 1291098802 /nfs/dbraw/zinc/09/88/02/1291098802.db2.gz ZQKJOCBBOPGMEE-QYZOEREBSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3CCS(=O)(=O)CC3)cn2)CC1 ZINC001650905963 1291184131 /nfs/dbraw/zinc/18/41/31/1291184131.db2.gz XJRFHFSVNFVSAM-UHFFFAOYSA-N 2 1 353.492 0.143 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843484 1291568089 /nfs/dbraw/zinc/56/80/89/1291568089.db2.gz UBAUBDBCQZXSMJ-BBWFWOEESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843484 1291568091 /nfs/dbraw/zinc/56/80/91/1291568091.db2.gz UBAUBDBCQZXSMJ-BBWFWOEESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843484 1291568094 /nfs/dbraw/zinc/56/80/94/1291568094.db2.gz UBAUBDBCQZXSMJ-BBWFWOEESA-N 2 1 352.523 0.975 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001657265327 1291604554 /nfs/dbraw/zinc/60/45/54/1291604554.db2.gz DLXSNTPRYUZRBX-HNNXBMFYSA-N 2 1 357.524 0.824 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001657265327 1291604562 /nfs/dbraw/zinc/60/45/62/1291604562.db2.gz DLXSNTPRYUZRBX-HNNXBMFYSA-N 2 1 357.524 0.824 20 0 FCADMP C[NH+]1CCC(CNC(=O)N2CCC[N@@H+](C)CC2)(N2CCOCC2)CC1 ZINC001686784171 1292957184 /nfs/dbraw/zinc/95/71/84/1292957184.db2.gz IFXWQBGLOUGAIE-UHFFFAOYSA-N 2 1 353.511 0.130 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001689033865 1294578598 /nfs/dbraw/zinc/57/85/98/1294578598.db2.gz BFAJQGRSWKCKRL-JKSUJKDBSA-N 2 1 351.495 0.274 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689074598 1294595649 /nfs/dbraw/zinc/59/56/49/1294595649.db2.gz JOZYVKQZTYASNB-GVDBMIGSSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001689083857 1294601612 /nfs/dbraw/zinc/60/16/12/1294601612.db2.gz QODSWSLEDQDDCV-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001689425234 1294781469 /nfs/dbraw/zinc/78/14/69/1294781469.db2.gz VKBMLLBJEKDQDY-IIAWOOMASA-N 2 1 370.457 0.842 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](CC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001690060447 1294853252 /nfs/dbraw/zinc/85/32/52/1294853252.db2.gz WRWHUPQHDSOAKX-GUDVDZBRSA-N 2 1 366.550 0.877 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001690276932 1294862235 /nfs/dbraw/zinc/86/22/35/1294862235.db2.gz VGLLKINCOKFXIL-DDHJBXDOSA-N 2 1 352.464 0.054 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001690405725 1294868052 /nfs/dbraw/zinc/86/80/52/1294868052.db2.gz OLXHYCRNLKWPRM-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N[C@@H](C)C(C)C)C[C@H]32)CC[N@@H+]1C ZINC001690514898 1294869930 /nfs/dbraw/zinc/86/99/30/1294869930.db2.gz XYNUJYIDXCOFNX-SQZHQNNWSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N[C@@H](C)C(C)C)C[C@H]32)CC[N@H+]1C ZINC001690514898 1294869942 /nfs/dbraw/zinc/86/99/42/1294869942.db2.gz XYNUJYIDXCOFNX-SQZHQNNWSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]32)CC[NH+]1C ZINC001690514898 1294869957 /nfs/dbraw/zinc/86/99/57/1294869957.db2.gz XYNUJYIDXCOFNX-SQZHQNNWSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]32)CC[NH+]1C ZINC001690514898 1294869968 /nfs/dbraw/zinc/86/99/68/1294869968.db2.gz XYNUJYIDXCOFNX-SQZHQNNWSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N[C@H](C)C(C)C)C[C@H]32)CC[N@@H+]1C ZINC001690514899 1294870317 /nfs/dbraw/zinc/87/03/17/1294870317.db2.gz XYNUJYIDXCOFNX-WMOPWKTHSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N[C@H](C)C(C)C)C[C@H]32)CC[N@H+]1C ZINC001690514899 1294870327 /nfs/dbraw/zinc/87/03/27/1294870327.db2.gz XYNUJYIDXCOFNX-WMOPWKTHSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]32)CC[NH+]1C ZINC001690514899 1294870341 /nfs/dbraw/zinc/87/03/41/1294870341.db2.gz XYNUJYIDXCOFNX-WMOPWKTHSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]32)CC[NH+]1C ZINC001690514899 1294870351 /nfs/dbraw/zinc/87/03/51/1294870351.db2.gz XYNUJYIDXCOFNX-WMOPWKTHSA-N 2 1 364.534 0.924 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCCc1ccsc1 ZINC001690576592 1294872570 /nfs/dbraw/zinc/87/25/70/1294872570.db2.gz DSWHSJJECDMTIM-SQWLQELKSA-N 2 1 366.531 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCS(C)(=O)=O)c2ccccc2)CC[N@@H+]1C ZINC001691783228 1294922307 /nfs/dbraw/zinc/92/23/07/1294922307.db2.gz VDUGJYVEJSJFKY-DJIMGWMZSA-N 2 1 367.515 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCS(C)(=O)=O)c2ccccc2)CC[N@H+]1C ZINC001691783228 1294922316 /nfs/dbraw/zinc/92/23/16/1294922316.db2.gz VDUGJYVEJSJFKY-DJIMGWMZSA-N 2 1 367.515 0.818 20 0 FCADMP O=C1NCCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C12C[NH2+]C2 ZINC001164410336 718878429 /nfs/dbraw/zinc/87/84/29/718878429.db2.gz ALVNYZBKXUFDRU-UHFFFAOYSA-N 2 1 364.453 0.313 20 0 FCADMP O=C1NCCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C12C[NH2+]C2 ZINC001164410336 718878433 /nfs/dbraw/zinc/87/84/33/718878433.db2.gz ALVNYZBKXUFDRU-UHFFFAOYSA-N 2 1 364.453 0.313 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164847050 720832691 /nfs/dbraw/zinc/83/26/91/720832691.db2.gz HVXJAKHUYZJNGU-CRAIPNDOSA-N 2 1 361.490 0.338 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924372 721870701 /nfs/dbraw/zinc/87/07/01/721870701.db2.gz LEBYKYVEHOBFBZ-QZTJIDSGSA-N 2 1 372.517 0.342 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924372 721870702 /nfs/dbraw/zinc/87/07/02/721870702.db2.gz LEBYKYVEHOBFBZ-QZTJIDSGSA-N 2 1 372.517 0.342 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996051 837590918 /nfs/dbraw/zinc/59/09/18/837590918.db2.gz NHCZDKOGCSSUHQ-CABCVRRESA-N 2 1 350.467 0.140 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996051 837590923 /nfs/dbraw/zinc/59/09/23/837590923.db2.gz NHCZDKOGCSSUHQ-CABCVRRESA-N 2 1 350.467 0.140 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077827 837614471 /nfs/dbraw/zinc/61/44/71/837614471.db2.gz MRXAJZOHADQLOJ-KFWWJZLASA-N 2 1 350.442 0.464 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070158407 837628254 /nfs/dbraw/zinc/62/82/54/837628254.db2.gz JHVJSFSAMVBSKK-ILXRZTDVSA-N 2 1 361.475 0.371 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070158407 837628258 /nfs/dbraw/zinc/62/82/58/837628258.db2.gz JHVJSFSAMVBSKK-ILXRZTDVSA-N 2 1 361.475 0.371 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070158647 837628378 /nfs/dbraw/zinc/62/83/78/837628378.db2.gz UHLADFNBQMHOQL-OAGGEKHMSA-N 2 1 360.487 0.976 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326881 837646500 /nfs/dbraw/zinc/64/65/00/837646500.db2.gz HFRSPHYOEMJNTG-XHSDSOJGSA-N 2 1 360.487 0.833 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070328330 837647115 /nfs/dbraw/zinc/64/71/15/837647115.db2.gz XHUHEPJRAKKUQB-CABCVRRESA-N 2 1 361.475 0.372 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913655 837694800 /nfs/dbraw/zinc/69/48/00/837694800.db2.gz SIISYMNHJVCUFG-KFWWJZLASA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913655 837694807 /nfs/dbraw/zinc/69/48/07/837694807.db2.gz SIISYMNHJVCUFG-KFWWJZLASA-N 2 1 350.463 0.597 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071059937 837721207 /nfs/dbraw/zinc/72/12/07/837721207.db2.gz KOTHSEHHNDOYDZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)O)CC1 ZINC001071104481 837733809 /nfs/dbraw/zinc/73/38/09/837733809.db2.gz ZGGJORDNOCFZAR-XCRHUMRWSA-N 2 1 350.463 0.558 20 0 FCADMP CC(C)[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265824 837737194 /nfs/dbraw/zinc/73/71/94/837737194.db2.gz UNEWRSZAQYXDSI-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265824 837737198 /nfs/dbraw/zinc/73/71/98/837737198.db2.gz UNEWRSZAQYXDSI-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265824 837737202 /nfs/dbraw/zinc/73/72/02/837737202.db2.gz UNEWRSZAQYXDSI-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265824 837737203 /nfs/dbraw/zinc/73/72/03/837737203.db2.gz UNEWRSZAQYXDSI-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCCO2)CC[N@H+]1C ZINC001073611373 837779370 /nfs/dbraw/zinc/77/93/70/837779370.db2.gz VJYGCHGLFFAEFD-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)CCCO2)CC[NH+]1C ZINC001073611373 837779381 /nfs/dbraw/zinc/77/93/81/837779381.db2.gz VJYGCHGLFFAEFD-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)CCCO2)CC[NH+]1C ZINC001073611373 837779389 /nfs/dbraw/zinc/77/93/89/837779389.db2.gz VJYGCHGLFFAEFD-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171873 844089530 /nfs/dbraw/zinc/08/95/30/844089530.db2.gz OOIQWZVIMIMWOW-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171873 844089542 /nfs/dbraw/zinc/08/95/42/844089542.db2.gz OOIQWZVIMIMWOW-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171873 844089554 /nfs/dbraw/zinc/08/95/54/844089554.db2.gz OOIQWZVIMIMWOW-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186857 844098131 /nfs/dbraw/zinc/09/81/31/844098131.db2.gz HZAPXLZUWMIYAC-AOIWGVFYSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186857 844098143 /nfs/dbraw/zinc/09/81/43/844098143.db2.gz HZAPXLZUWMIYAC-AOIWGVFYSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186857 844098157 /nfs/dbraw/zinc/09/81/57/844098157.db2.gz HZAPXLZUWMIYAC-AOIWGVFYSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186857 844098161 /nfs/dbraw/zinc/09/81/61/844098161.db2.gz HZAPXLZUWMIYAC-AOIWGVFYSA-N 2 1 353.507 0.770 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187772 836066606 /nfs/dbraw/zinc/06/66/06/836066606.db2.gz YPPKBXRXFMZENY-WBVHZDCISA-N 2 1 352.504 0.637 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279624 844130027 /nfs/dbraw/zinc/13/00/27/844130027.db2.gz SCSYDOLDZKYVKL-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101279624 844130030 /nfs/dbraw/zinc/13/00/30/844130030.db2.gz SCSYDOLDZKYVKL-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101279624 844130034 /nfs/dbraw/zinc/13/00/34/844130034.db2.gz SCSYDOLDZKYVKL-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284873 844134832 /nfs/dbraw/zinc/13/48/32/844134832.db2.gz CUPMMMWSOYCTKK-VCBZYWHSSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284873 844134838 /nfs/dbraw/zinc/13/48/38/844134838.db2.gz CUPMMMWSOYCTKK-VCBZYWHSSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284873 844134843 /nfs/dbraw/zinc/13/48/43/844134843.db2.gz CUPMMMWSOYCTKK-VCBZYWHSSA-N 2 1 350.507 0.728 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339785 844152248 /nfs/dbraw/zinc/15/22/48/844152248.db2.gz GJEHFCHNGMAUMA-NRUGXNMXSA-N 2 1 353.507 0.504 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339785 844152253 /nfs/dbraw/zinc/15/22/53/844152253.db2.gz GJEHFCHNGMAUMA-NRUGXNMXSA-N 2 1 353.507 0.504 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339785 844152259 /nfs/dbraw/zinc/15/22/59/844152259.db2.gz GJEHFCHNGMAUMA-NRUGXNMXSA-N 2 1 353.507 0.504 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101344843 844153463 /nfs/dbraw/zinc/15/34/63/844153463.db2.gz HDPFAJUYULPMFS-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368660 844162874 /nfs/dbraw/zinc/16/28/74/844162874.db2.gz GNCBNSJXOCBQSF-MDZRGWNJSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368660 844162879 /nfs/dbraw/zinc/16/28/79/844162879.db2.gz GNCBNSJXOCBQSF-MDZRGWNJSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368660 844162882 /nfs/dbraw/zinc/16/28/82/844162882.db2.gz GNCBNSJXOCBQSF-MDZRGWNJSA-N 2 1 355.523 0.752 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363948 844160357 /nfs/dbraw/zinc/16/03/57/844160357.db2.gz HSNAVYPMKFRBJH-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363948 844160362 /nfs/dbraw/zinc/16/03/62/844160362.db2.gz HSNAVYPMKFRBJH-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363948 844160369 /nfs/dbraw/zinc/16/03/69/844160369.db2.gz HSNAVYPMKFRBJH-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363187 844160398 /nfs/dbraw/zinc/16/03/98/844160398.db2.gz QCTMOYAPILJUCU-GJYPPUQNSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101400373 844174589 /nfs/dbraw/zinc/17/45/89/844174589.db2.gz TWYUXVQWXMYSEY-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101400066 844174720 /nfs/dbraw/zinc/17/47/20/844174720.db2.gz FGNDSECJDNHVPH-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405607 844176697 /nfs/dbraw/zinc/17/66/97/844176697.db2.gz GIVOINOYHLLQSL-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101417616 844179167 /nfs/dbraw/zinc/17/91/67/844179167.db2.gz XYQCJRVRQAUJIW-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101417616 844179175 /nfs/dbraw/zinc/17/91/75/844179175.db2.gz XYQCJRVRQAUJIW-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101417616 844179178 /nfs/dbraw/zinc/17/91/78/844179178.db2.gz XYQCJRVRQAUJIW-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@]2(C)C1 ZINC001101432234 844184296 /nfs/dbraw/zinc/18/42/96/844184296.db2.gz IIBMARKUNUQELW-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441038 844186500 /nfs/dbraw/zinc/18/65/00/844186500.db2.gz IZMNVLAEPPUEBU-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441038 844186505 /nfs/dbraw/zinc/18/65/05/844186505.db2.gz IZMNVLAEPPUEBU-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441038 844186511 /nfs/dbraw/zinc/18/65/11/844186511.db2.gz IZMNVLAEPPUEBU-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461864 844193362 /nfs/dbraw/zinc/19/33/62/844193362.db2.gz WXLJAQQWYUHSER-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101444070 844188460 /nfs/dbraw/zinc/18/84/60/844188460.db2.gz XHAIGKKPGCFKHW-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101444070 844188463 /nfs/dbraw/zinc/18/84/63/844188463.db2.gz XHAIGKKPGCFKHW-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101444070 844188466 /nfs/dbraw/zinc/18/84/66/844188466.db2.gz XHAIGKKPGCFKHW-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)COCC[NH+](C)C)CCC2)CC[N@H+]1C ZINC001063221472 836757242 /nfs/dbraw/zinc/75/72/42/836757242.db2.gz DNPZSNJEMJVBDY-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101474143 844198923 /nfs/dbraw/zinc/19/89/23/844198923.db2.gz JQUITQMXJWITHZ-MJGOQNOKSA-N 2 1 353.507 0.652 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477269 844202738 /nfs/dbraw/zinc/20/27/38/844202738.db2.gz LRNAXEIVCWOKDO-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477269 844202741 /nfs/dbraw/zinc/20/27/41/844202741.db2.gz LRNAXEIVCWOKDO-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477269 844202748 /nfs/dbraw/zinc/20/27/48/844202748.db2.gz LRNAXEIVCWOKDO-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815389 844277980 /nfs/dbraw/zinc/27/79/80/844277980.db2.gz DNNGOIRLCDGVEE-OAGGEKHMSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101815389 844277991 /nfs/dbraw/zinc/27/79/91/844277991.db2.gz DNNGOIRLCDGVEE-OAGGEKHMSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101815389 844278001 /nfs/dbraw/zinc/27/80/01/844278001.db2.gz DNNGOIRLCDGVEE-OAGGEKHMSA-N 2 1 371.547 0.590 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002935 838207992 /nfs/dbraw/zinc/20/79/92/838207992.db2.gz MJIJLVDXABOGHK-BZUAXINKSA-N 2 1 350.488 0.189 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002935 838208003 /nfs/dbraw/zinc/20/80/03/838208003.db2.gz MJIJLVDXABOGHK-BZUAXINKSA-N 2 1 350.488 0.189 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002938 838208318 /nfs/dbraw/zinc/20/83/18/838208318.db2.gz MNLVBHSEVHOXCS-RCCFBDPRSA-N 2 1 351.491 0.306 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975861 844356868 /nfs/dbraw/zinc/35/68/68/844356868.db2.gz DEPWMUJVWYCGOK-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127796 838751263 /nfs/dbraw/zinc/75/12/63/838751263.db2.gz IZEJBCOLMGAXEC-USXIJHARSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127796 838751267 /nfs/dbraw/zinc/75/12/67/838751267.db2.gz IZEJBCOLMGAXEC-USXIJHARSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127796 838751273 /nfs/dbraw/zinc/75/12/73/838751273.db2.gz IZEJBCOLMGAXEC-USXIJHARSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127796 838751281 /nfs/dbraw/zinc/75/12/81/838751281.db2.gz IZEJBCOLMGAXEC-USXIJHARSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128155 838751938 /nfs/dbraw/zinc/75/19/38/838751938.db2.gz ZJHFAXCRTNATAM-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128155 838751945 /nfs/dbraw/zinc/75/19/45/838751945.db2.gz ZJHFAXCRTNATAM-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128155 838751949 /nfs/dbraw/zinc/75/19/49/838751949.db2.gz ZJHFAXCRTNATAM-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128943 838753890 /nfs/dbraw/zinc/75/38/90/838753890.db2.gz LPRSHUCSGDEEBE-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128943 838753898 /nfs/dbraw/zinc/75/38/98/838753898.db2.gz LPRSHUCSGDEEBE-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128943 838753909 /nfs/dbraw/zinc/75/39/09/838753909.db2.gz LPRSHUCSGDEEBE-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077129209 838755078 /nfs/dbraw/zinc/75/50/78/838755078.db2.gz ZBQOSRZVMZDCHR-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077129209 838755085 /nfs/dbraw/zinc/75/50/85/838755085.db2.gz ZBQOSRZVMZDCHR-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077129209 838755089 /nfs/dbraw/zinc/75/50/89/838755089.db2.gz ZBQOSRZVMZDCHR-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077129209 838755096 /nfs/dbraw/zinc/75/50/96/838755096.db2.gz ZBQOSRZVMZDCHR-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001077299456 838887144 /nfs/dbraw/zinc/88/71/44/838887144.db2.gz CKYGDVVUXKYOBO-BRWVUGGUSA-N 2 1 351.491 0.591 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001077505216 839003986 /nfs/dbraw/zinc/00/39/86/839003986.db2.gz UULMXWDUGJFWPA-ZACQAIPSSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566921 839042188 /nfs/dbraw/zinc/04/21/88/839042188.db2.gz SXKFQILJXIDHTJ-BRWVUGGUSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566921 839042198 /nfs/dbraw/zinc/04/21/98/839042198.db2.gz SXKFQILJXIDHTJ-BRWVUGGUSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566921 839042208 /nfs/dbraw/zinc/04/22/08/839042208.db2.gz SXKFQILJXIDHTJ-BRWVUGGUSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566921 839042222 /nfs/dbraw/zinc/04/22/22/839042222.db2.gz SXKFQILJXIDHTJ-BRWVUGGUSA-N 2 1 353.507 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047647 844394386 /nfs/dbraw/zinc/39/43/86/844394386.db2.gz OHETWIONLVMSMZ-UNEWFSDZSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077777646 839152527 /nfs/dbraw/zinc/15/25/27/839152527.db2.gz UVDRMRFIUGIOHG-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077777646 839152534 /nfs/dbraw/zinc/15/25/34/839152534.db2.gz UVDRMRFIUGIOHG-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077777646 839152542 /nfs/dbraw/zinc/15/25/42/839152542.db2.gz UVDRMRFIUGIOHG-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001077892604 839210392 /nfs/dbraw/zinc/21/03/92/839210392.db2.gz AGIUSNYOSWNHQN-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001077892604 839210405 /nfs/dbraw/zinc/21/04/05/839210405.db2.gz AGIUSNYOSWNHQN-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007724 839289494 /nfs/dbraw/zinc/28/94/94/839289494.db2.gz YDVOIKUIPLAFLA-NUEKZKHPSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007724 839289509 /nfs/dbraw/zinc/28/95/09/839289509.db2.gz YDVOIKUIPLAFLA-NUEKZKHPSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078007724 839289519 /nfs/dbraw/zinc/28/95/19/839289519.db2.gz YDVOIKUIPLAFLA-NUEKZKHPSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078007724 839289533 /nfs/dbraw/zinc/28/95/33/839289533.db2.gz YDVOIKUIPLAFLA-NUEKZKHPSA-N 2 1 350.463 0.549 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205981 839401707 /nfs/dbraw/zinc/40/17/07/839401707.db2.gz KXJHEVZPRNYVME-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205981 839401717 /nfs/dbraw/zinc/40/17/17/839401717.db2.gz KXJHEVZPRNYVME-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205981 839401722 /nfs/dbraw/zinc/40/17/22/839401722.db2.gz KXJHEVZPRNYVME-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205981 839401730 /nfs/dbraw/zinc/40/17/30/839401730.db2.gz KXJHEVZPRNYVME-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209172 839405150 /nfs/dbraw/zinc/40/51/50/839405150.db2.gz BWSGFWRRQJLZQN-KURKYZTESA-N 2 1 351.491 0.759 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209172 839405159 /nfs/dbraw/zinc/40/51/59/839405159.db2.gz BWSGFWRRQJLZQN-KURKYZTESA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209172 839405166 /nfs/dbraw/zinc/40/51/66/839405166.db2.gz BWSGFWRRQJLZQN-KURKYZTESA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209172 839405171 /nfs/dbraw/zinc/40/51/71/839405171.db2.gz BWSGFWRRQJLZQN-KURKYZTESA-N 2 1 351.491 0.759 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)s1 ZINC001078403980 839456242 /nfs/dbraw/zinc/45/62/42/839456242.db2.gz OJOYEVZOKQGTOZ-BPLDGKMQSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)s1 ZINC001078403980 839456262 /nfs/dbraw/zinc/45/62/62/839456262.db2.gz OJOYEVZOKQGTOZ-BPLDGKMQSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405118 839457478 /nfs/dbraw/zinc/45/74/78/839457478.db2.gz FILPKCNXEQKMRK-RBSFLKMASA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405117 839457741 /nfs/dbraw/zinc/45/77/41/839457741.db2.gz FILPKCNXEQKMRK-QLFBSQMISA-N 2 1 367.519 0.894 20 0 FCADMP C[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526931 839543824 /nfs/dbraw/zinc/54/38/24/839543824.db2.gz XGDPBQFQQCLWER-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526931 839543831 /nfs/dbraw/zinc/54/38/31/839543831.db2.gz XGDPBQFQQCLWER-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526931 839543840 /nfs/dbraw/zinc/54/38/40/839543840.db2.gz XGDPBQFQQCLWER-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526931 839543852 /nfs/dbraw/zinc/54/38/52/839543852.db2.gz XGDPBQFQQCLWER-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681640 839572979 /nfs/dbraw/zinc/57/29/79/839572979.db2.gz UVQJSWITCKVXHR-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681640 839572988 /nfs/dbraw/zinc/57/29/88/839572988.db2.gz UVQJSWITCKVXHR-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681640 839572998 /nfs/dbraw/zinc/57/29/98/839572998.db2.gz UVQJSWITCKVXHR-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681640 839573008 /nfs/dbraw/zinc/57/30/08/839573008.db2.gz UVQJSWITCKVXHR-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681484 839573428 /nfs/dbraw/zinc/57/34/28/839573428.db2.gz OMCCNQAWZWICJP-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681484 839573434 /nfs/dbraw/zinc/57/34/34/839573434.db2.gz OMCCNQAWZWICJP-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681484 839573437 /nfs/dbraw/zinc/57/34/37/839573437.db2.gz OMCCNQAWZWICJP-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681484 839573444 /nfs/dbraw/zinc/57/34/44/839573444.db2.gz OMCCNQAWZWICJP-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CO[C@@H](C)c1noc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102314606 844464466 /nfs/dbraw/zinc/46/44/66/844464466.db2.gz ROHKHGGPAACRID-HZSPNIEDSA-N 2 1 353.467 0.913 20 0 FCADMP CO[C@@H](C)c1noc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102314606 844464469 /nfs/dbraw/zinc/46/44/69/844464469.db2.gz ROHKHGGPAACRID-HZSPNIEDSA-N 2 1 353.467 0.913 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456302 839729459 /nfs/dbraw/zinc/72/94/59/839729459.db2.gz XWINPGBXXIKQPJ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456302 839729471 /nfs/dbraw/zinc/72/94/71/839729471.db2.gz XWINPGBXXIKQPJ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456302 839729484 /nfs/dbraw/zinc/72/94/84/839729484.db2.gz XWINPGBXXIKQPJ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320634 844465931 /nfs/dbraw/zinc/46/59/31/844465931.db2.gz MLZHNGOZKODNQQ-JHJVBQTASA-N 2 1 366.428 0.689 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320634 844465936 /nfs/dbraw/zinc/46/59/36/844465936.db2.gz MLZHNGOZKODNQQ-JHJVBQTASA-N 2 1 366.428 0.689 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102330296 844467245 /nfs/dbraw/zinc/46/72/45/844467245.db2.gz NOYNJQWXGXPPCX-IIDMSEBBSA-N 2 1 352.523 0.878 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787862 839799139 /nfs/dbraw/zinc/79/91/39/839799139.db2.gz VVQQGTIDPRXKJA-OWCLPIDISA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787862 839799148 /nfs/dbraw/zinc/79/91/48/839799148.db2.gz VVQQGTIDPRXKJA-OWCLPIDISA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787495 839799686 /nfs/dbraw/zinc/79/96/86/839799686.db2.gz CHAMZIOFVIPSMZ-BZUAXINKSA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787495 839799689 /nfs/dbraw/zinc/79/96/89/839799689.db2.gz CHAMZIOFVIPSMZ-BZUAXINKSA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102366656 844476496 /nfs/dbraw/zinc/47/64/96/844476496.db2.gz MRMVQAWUFLZWCP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102366656 844476504 /nfs/dbraw/zinc/47/65/04/844476504.db2.gz MRMVQAWUFLZWCP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102366656 844476510 /nfs/dbraw/zinc/47/65/10/844476510.db2.gz MRMVQAWUFLZWCP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369825 844477685 /nfs/dbraw/zinc/47/76/85/844477685.db2.gz IARQTRRAZCYLGM-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369825 844477688 /nfs/dbraw/zinc/47/76/88/844477688.db2.gz IARQTRRAZCYLGM-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369825 844477694 /nfs/dbraw/zinc/47/76/94/844477694.db2.gz IARQTRRAZCYLGM-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976994 839853689 /nfs/dbraw/zinc/85/36/89/839853689.db2.gz RLESURFELZTPKR-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976994 839853698 /nfs/dbraw/zinc/85/36/98/839853698.db2.gz RLESURFELZTPKR-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976994 839853706 /nfs/dbraw/zinc/85/37/06/839853706.db2.gz RLESURFELZTPKR-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976994 839853714 /nfs/dbraw/zinc/85/37/14/839853714.db2.gz RLESURFELZTPKR-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080998650 839858216 /nfs/dbraw/zinc/85/82/16/839858216.db2.gz HTLKPMCEDKDFRU-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080998650 839858220 /nfs/dbraw/zinc/85/82/20/839858220.db2.gz HTLKPMCEDKDFRU-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080998650 839858228 /nfs/dbraw/zinc/85/82/28/839858228.db2.gz HTLKPMCEDKDFRU-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375749 844480433 /nfs/dbraw/zinc/48/04/33/844480433.db2.gz ZRJVDLZXSPLQCW-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375749 844480441 /nfs/dbraw/zinc/48/04/41/844480441.db2.gz ZRJVDLZXSPLQCW-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375749 844480447 /nfs/dbraw/zinc/48/04/47/844480447.db2.gz ZRJVDLZXSPLQCW-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375521 844480527 /nfs/dbraw/zinc/48/05/27/844480527.db2.gz OBHXZFIXQSZYRG-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375521 844480530 /nfs/dbraw/zinc/48/05/30/844480530.db2.gz OBHXZFIXQSZYRG-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375521 844480533 /nfs/dbraw/zinc/48/05/33/844480533.db2.gz OBHXZFIXQSZYRG-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001081796245 840034638 /nfs/dbraw/zinc/03/46/38/840034638.db2.gz LMGBCPVREHGCHM-BRWVUGGUSA-N 2 1 357.470 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796245 840034645 /nfs/dbraw/zinc/03/46/45/840034645.db2.gz LMGBCPVREHGCHM-BRWVUGGUSA-N 2 1 357.470 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796245 840034652 /nfs/dbraw/zinc/03/46/52/840034652.db2.gz LMGBCPVREHGCHM-BRWVUGGUSA-N 2 1 357.470 0.805 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430532 844497284 /nfs/dbraw/zinc/49/72/84/844497284.db2.gz VMWYBTVOFKSYNH-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433732 844497643 /nfs/dbraw/zinc/49/76/43/844497643.db2.gz DMHWUKXAYSVSIT-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)on1 ZINC001102465881 844508548 /nfs/dbraw/zinc/50/85/48/844508548.db2.gz AAEZHQQZTVYZMQ-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)on1 ZINC001102465881 844508555 /nfs/dbraw/zinc/50/85/55/844508555.db2.gz AAEZHQQZTVYZMQ-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202063 840235660 /nfs/dbraw/zinc/23/56/60/840235660.db2.gz CUXKYNHJXAUHNA-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480138 844520044 /nfs/dbraw/zinc/52/00/44/844520044.db2.gz YPJCUWGLDLFMBE-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290056 840280022 /nfs/dbraw/zinc/28/00/22/840280022.db2.gz HARGRIUKRMKWHH-CGTJXYLNSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486744 844523030 /nfs/dbraw/zinc/52/30/30/844523030.db2.gz SWSRTAXMBAGEMU-ZIAGYGMSSA-N 2 1 351.451 0.365 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486744 844523034 /nfs/dbraw/zinc/52/30/34/844523034.db2.gz SWSRTAXMBAGEMU-ZIAGYGMSSA-N 2 1 351.451 0.365 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)C1 ZINC001082328798 840313998 /nfs/dbraw/zinc/31/39/98/840313998.db2.gz LZQDEEOEHYKCMJ-BHUNQDJPSA-N 2 1 351.491 0.713 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)CC1 ZINC001102492807 844528144 /nfs/dbraw/zinc/52/81/44/844528144.db2.gz HMNNZWAZEXTYSK-SJLPKXTDSA-N 2 1 355.523 0.800 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368863 840356218 /nfs/dbraw/zinc/35/62/18/840356218.db2.gz PKAKDTREGQZJBP-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368863 840356226 /nfs/dbraw/zinc/35/62/26/840356226.db2.gz PKAKDTREGQZJBP-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368863 840356234 /nfs/dbraw/zinc/35/62/34/840356234.db2.gz PKAKDTREGQZJBP-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102497156 844530548 /nfs/dbraw/zinc/53/05/48/844530548.db2.gz DEYMGBKRNLMQTM-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102497156 844530555 /nfs/dbraw/zinc/53/05/55/844530555.db2.gz DEYMGBKRNLMQTM-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102497156 844530559 /nfs/dbraw/zinc/53/05/59/844530559.db2.gz DEYMGBKRNLMQTM-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082450060 840416365 /nfs/dbraw/zinc/41/63/65/840416365.db2.gz UPGGKDPLVMMOFK-BMFZPTHFSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082450128 840416529 /nfs/dbraw/zinc/41/65/29/840416529.db2.gz YNLNLGHYJFTLMK-BPLDGKMQSA-N 2 1 369.487 0.714 20 0 FCADMP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082458223 840420736 /nfs/dbraw/zinc/42/07/36/840420736.db2.gz CNZRBWIGXFEDMN-WQVCFCJDSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082458223 840420739 /nfs/dbraw/zinc/42/07/39/840420739.db2.gz CNZRBWIGXFEDMN-WQVCFCJDSA-N 2 1 352.504 0.761 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082507381 840441426 /nfs/dbraw/zinc/44/14/26/840441426.db2.gz OKKPCULUMACZND-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082507382 840441547 /nfs/dbraw/zinc/44/15/47/840441547.db2.gz OKKPCULUMACZND-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082558371 840464895 /nfs/dbraw/zinc/46/48/95/840464895.db2.gz MXHIZNXUQWROET-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513869 844544556 /nfs/dbraw/zinc/54/45/56/844544556.db2.gz DSYRIHMWUJYRHL-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513869 844544562 /nfs/dbraw/zinc/54/45/62/844544562.db2.gz DSYRIHMWUJYRHL-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513869 844544570 /nfs/dbraw/zinc/54/45/70/844544570.db2.gz DSYRIHMWUJYRHL-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102513814 844545199 /nfs/dbraw/zinc/54/51/99/844545199.db2.gz BZVKMSUENLXECP-HUUCEWRRSA-N 2 1 357.520 0.201 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082705580 840532270 /nfs/dbraw/zinc/53/22/70/840532270.db2.gz NILSUZNTCQBKRK-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082743991 840544565 /nfs/dbraw/zinc/54/45/65/840544565.db2.gz MUQCPNPAKDKLEZ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001102524778 844553493 /nfs/dbraw/zinc/55/34/93/844553493.db2.gz VWXVAHWGXMNNCR-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102524778 844553498 /nfs/dbraw/zinc/55/34/98/844553498.db2.gz VWXVAHWGXMNNCR-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102524778 844553502 /nfs/dbraw/zinc/55/35/02/844553502.db2.gz VWXVAHWGXMNNCR-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)sn1 ZINC001082807781 840569421 /nfs/dbraw/zinc/56/94/21/840569421.db2.gz CTZCUCLRGSYLOW-UKRRQHHQSA-N 2 1 368.503 0.811 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102525742 844553665 /nfs/dbraw/zinc/55/36/65/844553665.db2.gz SNRGWDBQRPYUBZ-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102525742 844553671 /nfs/dbraw/zinc/55/36/71/844553671.db2.gz SNRGWDBQRPYUBZ-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102525742 844553677 /nfs/dbraw/zinc/55/36/77/844553677.db2.gz SNRGWDBQRPYUBZ-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001082922095 840603554 /nfs/dbraw/zinc/60/35/54/840603554.db2.gz ITGGECLZDRLZEO-FVQBIDKESA-N 2 1 368.503 0.453 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)noc3C)C2)C1 ZINC001082933756 840613373 /nfs/dbraw/zinc/61/33/73/840613373.db2.gz IQSAAQBQIVOCHS-CSMYWGQOSA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)noc3C)C2)C1 ZINC001082933756 840613379 /nfs/dbraw/zinc/61/33/79/840613379.db2.gz IQSAAQBQIVOCHS-CSMYWGQOSA-N 2 1 350.463 0.949 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579169 844572602 /nfs/dbraw/zinc/57/26/02/844572602.db2.gz LHBZYOWCKGKOSD-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579169 844572605 /nfs/dbraw/zinc/57/26/05/844572605.db2.gz LHBZYOWCKGKOSD-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083230451 840816299 /nfs/dbraw/zinc/81/62/99/840816299.db2.gz AGKNBRQIHHRJEF-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083455414 841021417 /nfs/dbraw/zinc/02/14/17/841021417.db2.gz BXWSHCBMRCHNML-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083455414 841021419 /nfs/dbraw/zinc/02/14/19/841021419.db2.gz BXWSHCBMRCHNML-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083455414 841021423 /nfs/dbraw/zinc/02/14/23/841021423.db2.gz BXWSHCBMRCHNML-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465704 841036453 /nfs/dbraw/zinc/03/64/53/841036453.db2.gz OHUZQJODOSFJOF-ZNMIVQPWSA-N 2 1 350.488 0.455 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465704 841036462 /nfs/dbraw/zinc/03/64/62/841036462.db2.gz OHUZQJODOSFJOF-ZNMIVQPWSA-N 2 1 350.488 0.455 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3scnc3C)C[C@@H]2O)CC[N@H+]1C ZINC001083474984 841050214 /nfs/dbraw/zinc/05/02/14/841050214.db2.gz KXMKYBHLZYCOQM-JJXSEGSLSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3scnc3C)C[C@@H]2O)CC[NH+]1C ZINC001083474984 841050230 /nfs/dbraw/zinc/05/02/30/841050230.db2.gz KXMKYBHLZYCOQM-JJXSEGSLSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3scnc3C)C[C@@H]2O)CC[NH+]1C ZINC001083474984 841050238 /nfs/dbraw/zinc/05/02/38/841050238.db2.gz KXMKYBHLZYCOQM-JJXSEGSLSA-N 2 1 366.531 0.886 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612939 844601484 /nfs/dbraw/zinc/60/14/84/844601484.db2.gz DUTGHUHTZDZQEY-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719848 841353629 /nfs/dbraw/zinc/35/36/29/841353629.db2.gz ZAXSLCTWIFMGKM-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719848 841353641 /nfs/dbraw/zinc/35/36/41/841353641.db2.gz ZAXSLCTWIFMGKM-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083719848 841353651 /nfs/dbraw/zinc/35/36/51/841353651.db2.gz ZAXSLCTWIFMGKM-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083733219 841376361 /nfs/dbraw/zinc/37/63/61/841376361.db2.gz FEGYRVANFUQNNV-CVEARBPZSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083733219 841376372 /nfs/dbraw/zinc/37/63/72/841376372.db2.gz FEGYRVANFUQNNV-CVEARBPZSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083749590 841391705 /nfs/dbraw/zinc/39/17/05/841391705.db2.gz HPMHYTUBHQFIBV-KURKYZTESA-N 2 1 353.507 0.431 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)s1 ZINC001083749086 841392247 /nfs/dbraw/zinc/39/22/47/841392247.db2.gz GIWLJXMXDMRZIH-CABCVRRESA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)s1 ZINC001083749086 841392258 /nfs/dbraw/zinc/39/22/58/841392258.db2.gz GIWLJXMXDMRZIH-CABCVRRESA-N 2 1 352.504 0.763 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781323 841428326 /nfs/dbraw/zinc/42/83/26/841428326.db2.gz BYJBTGJGBVRUKH-NXHRZFHOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781323 841428335 /nfs/dbraw/zinc/42/83/35/841428335.db2.gz BYJBTGJGBVRUKH-NXHRZFHOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781323 841428344 /nfs/dbraw/zinc/42/83/44/841428344.db2.gz BYJBTGJGBVRUKH-NXHRZFHOSA-N 2 1 353.507 0.696 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001083833480 841478298 /nfs/dbraw/zinc/47/82/98/841478298.db2.gz DILXFIFGBPIOLU-HIEASXQVSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3COC(C)(C)O3)C2)C1=O ZINC001275813109 861207547 /nfs/dbraw/zinc/20/75/47/861207547.db2.gz NXRUBHWDKNOQIB-KSSFIOAISA-N 2 1 353.463 0.541 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)s1 ZINC001083958516 841603710 /nfs/dbraw/zinc/60/37/10/841603710.db2.gz KASOLQWRKPGBDY-KGLIPLIRSA-N 2 1 350.488 0.517 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)s1 ZINC001083958516 841603716 /nfs/dbraw/zinc/60/37/16/841603716.db2.gz KASOLQWRKPGBDY-KGLIPLIRSA-N 2 1 350.488 0.517 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275833628 861219609 /nfs/dbraw/zinc/21/96/09/861219609.db2.gz LSDVXAZCZHHCFG-LJQANCHMSA-N 2 1 351.491 0.668 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078900 841689975 /nfs/dbraw/zinc/68/99/75/841689975.db2.gz MIWLKGMNSJBHDR-OWCLPIDISA-N 2 1 353.488 0.173 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078900 841689982 /nfs/dbraw/zinc/68/99/82/841689982.db2.gz MIWLKGMNSJBHDR-OWCLPIDISA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078900 841689988 /nfs/dbraw/zinc/68/99/88/841689988.db2.gz MIWLKGMNSJBHDR-OWCLPIDISA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078900 841689995 /nfs/dbraw/zinc/68/99/95/841689995.db2.gz MIWLKGMNSJBHDR-OWCLPIDISA-N 2 1 353.488 0.173 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001084091981 841700456 /nfs/dbraw/zinc/70/04/56/841700456.db2.gz ZSKQBPDFVUBFCQ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001084091981 841700466 /nfs/dbraw/zinc/70/04/66/841700466.db2.gz ZSKQBPDFVUBFCQ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001084091981 841700473 /nfs/dbraw/zinc/70/04/73/841700473.db2.gz ZSKQBPDFVUBFCQ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2O)o1 ZINC001084109104 841711161 /nfs/dbraw/zinc/71/11/61/841711161.db2.gz VWUPHEMYCWMSPT-IMJJTQAJSA-N 2 1 353.463 0.931 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)COC)C[C@@H]2O)o1 ZINC001084109104 841711171 /nfs/dbraw/zinc/71/11/71/841711171.db2.gz VWUPHEMYCWMSPT-IMJJTQAJSA-N 2 1 353.463 0.931 20 0 FCADMP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878897 861243134 /nfs/dbraw/zinc/24/31/34/861243134.db2.gz MQFANLMTCKRCPG-WDYCEAGBSA-N 2 1 351.491 0.857 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21)[NH+](C)C ZINC001084638681 841872392 /nfs/dbraw/zinc/87/23/92/841872392.db2.gz NGOVLFMRQKBQLX-JFIYKMOQSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21)[NH+](C)C ZINC001084638681 841872403 /nfs/dbraw/zinc/87/24/03/841872403.db2.gz NGOVLFMRQKBQLX-JFIYKMOQSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275880151 861246928 /nfs/dbraw/zinc/24/69/28/861246928.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 2 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275880151 861246939 /nfs/dbraw/zinc/24/69/39/861246939.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275880151 861246954 /nfs/dbraw/zinc/24/69/54/861246954.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275880151 861246967 /nfs/dbraw/zinc/24/69/67/861246967.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275880151 861246982 /nfs/dbraw/zinc/24/69/82/861246982.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 3 1 352.523 0.441 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962409 841970747 /nfs/dbraw/zinc/97/07/47/841970747.db2.gz NGUAWOKZEQKIOK-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962409 841970749 /nfs/dbraw/zinc/97/07/49/841970749.db2.gz NGUAWOKZEQKIOK-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962409 841970757 /nfs/dbraw/zinc/97/07/57/841970757.db2.gz NGUAWOKZEQKIOK-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962409 841970764 /nfs/dbraw/zinc/97/07/64/841970764.db2.gz NGUAWOKZEQKIOK-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971326 841973773 /nfs/dbraw/zinc/97/37/73/841973773.db2.gz YUDVWGNUDPZXHE-ZACQAIPSSA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090994 842119122 /nfs/dbraw/zinc/11/91/22/842119122.db2.gz CBQDLOPGCKXGPF-UHDSXZAQSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001086090880 842119608 /nfs/dbraw/zinc/11/96/08/842119608.db2.gz VXCPZICLUMGJNM-BPKGMFCQSA-N 2 1 350.507 0.727 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400593 842131009 /nfs/dbraw/zinc/13/10/09/842131009.db2.gz OICZIWKBEIGKMM-FMKGYKFTSA-N 2 1 353.492 0.550 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400593 842131013 /nfs/dbraw/zinc/13/10/13/842131013.db2.gz OICZIWKBEIGKMM-FMKGYKFTSA-N 2 1 353.492 0.550 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664754 842146034 /nfs/dbraw/zinc/14/60/34/842146034.db2.gz CKFJYDPMOCHGOE-LZWOXQAQSA-N 2 1 350.467 0.003 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664754 842146040 /nfs/dbraw/zinc/14/60/40/842146040.db2.gz CKFJYDPMOCHGOE-LZWOXQAQSA-N 2 1 350.467 0.003 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001086665492 842147239 /nfs/dbraw/zinc/14/72/39/842147239.db2.gz GJYBMKWTBOXVJO-SQWLQELKSA-N 2 1 350.467 0.003 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001086665492 842147243 /nfs/dbraw/zinc/14/72/43/842147243.db2.gz GJYBMKWTBOXVJO-SQWLQELKSA-N 2 1 350.467 0.003 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087079407 842273303 /nfs/dbraw/zinc/27/33/03/842273303.db2.gz NYWOACIRQUNGFL-GDBMZVCRSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083478 842276341 /nfs/dbraw/zinc/27/63/41/842276341.db2.gz HGJVITYJKDOKSZ-RRFJBIMHSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087084791 842277610 /nfs/dbraw/zinc/27/76/10/842277610.db2.gz SYOLLPDYGLHVAW-QLFBSQMISA-N 2 1 353.467 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087100353 842289643 /nfs/dbraw/zinc/28/96/43/842289643.db2.gz PSVFCOLHXHAEHY-RRFJBIMHSA-N 2 1 367.519 0.751 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087100312 842290227 /nfs/dbraw/zinc/29/02/27/842290227.db2.gz PGKLFORGKBRUNI-RRFJBIMHSA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087100312 842290232 /nfs/dbraw/zinc/29/02/32/842290232.db2.gz PGKLFORGKBRUNI-RRFJBIMHSA-N 2 1 351.451 0.283 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087712234 842411810 /nfs/dbraw/zinc/41/18/10/842411810.db2.gz WKZAMZNXCZDTPR-BHYGNILZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCN1CCCC1=O ZINC001087712386 842412980 /nfs/dbraw/zinc/41/29/80/842412980.db2.gz GIYLGNYOEGCHCJ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087799214 842433741 /nfs/dbraw/zinc/43/37/41/842433741.db2.gz IRNQYJXCPQYEAK-HRCADAONSA-N 2 1 369.531 0.486 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087799214 842433746 /nfs/dbraw/zinc/43/37/46/842433746.db2.gz IRNQYJXCPQYEAK-HRCADAONSA-N 2 1 369.531 0.486 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001087829861 842442653 /nfs/dbraw/zinc/44/26/53/842442653.db2.gz ZYAJDRCCDMJVBW-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001087829861 842442657 /nfs/dbraw/zinc/44/26/57/842442657.db2.gz ZYAJDRCCDMJVBW-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994966 842494110 /nfs/dbraw/zinc/49/41/10/842494110.db2.gz MAMXVTWOYNBBPK-XHSDSOJGSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994966 842494116 /nfs/dbraw/zinc/49/41/16/842494116.db2.gz MAMXVTWOYNBBPK-XHSDSOJGSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994966 842494127 /nfs/dbraw/zinc/49/41/27/842494127.db2.gz MAMXVTWOYNBBPK-XHSDSOJGSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992726 842494803 /nfs/dbraw/zinc/49/48/03/842494803.db2.gz IOXYWROFPDMVFU-OAGGEKHMSA-N 2 1 350.507 0.728 20 0 FCADMP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001087995139 842494920 /nfs/dbraw/zinc/49/49/20/842494920.db2.gz UZOWQZMFWQQFHI-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001087995139 842494927 /nfs/dbraw/zinc/49/49/27/842494927.db2.gz UZOWQZMFWQQFHI-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001087995139 842494931 /nfs/dbraw/zinc/49/49/31/842494931.db2.gz UZOWQZMFWQQFHI-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001087995139 842494938 /nfs/dbraw/zinc/49/49/38/842494938.db2.gz UZOWQZMFWQQFHI-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992319 842494979 /nfs/dbraw/zinc/49/49/79/842494979.db2.gz PBUGKBAPCURBNC-ZACQAIPSSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992319 842494985 /nfs/dbraw/zinc/49/49/85/842494985.db2.gz PBUGKBAPCURBNC-ZACQAIPSSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992319 842494990 /nfs/dbraw/zinc/49/49/90/842494990.db2.gz PBUGKBAPCURBNC-ZACQAIPSSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023011 842507330 /nfs/dbraw/zinc/50/73/30/842507330.db2.gz KBWQSIXUBNONDC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023011 842507333 /nfs/dbraw/zinc/50/73/33/842507333.db2.gz KBWQSIXUBNONDC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023011 842507339 /nfs/dbraw/zinc/50/73/39/842507339.db2.gz KBWQSIXUBNONDC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106182 842533335 /nfs/dbraw/zinc/53/33/35/842533335.db2.gz PFOQMLFWYSLJAU-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106182 842533342 /nfs/dbraw/zinc/53/33/42/842533342.db2.gz PFOQMLFWYSLJAU-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106182 842533346 /nfs/dbraw/zinc/53/33/46/842533346.db2.gz PFOQMLFWYSLJAU-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106182 842533349 /nfs/dbraw/zinc/53/33/49/842533349.db2.gz PFOQMLFWYSLJAU-XHSDSOJGSA-N 2 1 357.520 0.153 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109434 842534424 /nfs/dbraw/zinc/53/44/24/842534424.db2.gz FLGITADSEYFIIB-VYDXJSESSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCN1CCNC1=O ZINC001088939362 842723128 /nfs/dbraw/zinc/72/31/28/842723128.db2.gz LRPHSPZDSCOUKS-CVEARBPZSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001089038886 842751364 /nfs/dbraw/zinc/75/13/64/842751364.db2.gz OUFVTKUCESNPOL-BMFZPTHFSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001089038886 842751369 /nfs/dbraw/zinc/75/13/69/842751369.db2.gz OUFVTKUCESNPOL-BMFZPTHFSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001089038886 842751373 /nfs/dbraw/zinc/75/13/73/842751373.db2.gz OUFVTKUCESNPOL-BMFZPTHFSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001089038886 842751375 /nfs/dbraw/zinc/75/13/75/842751375.db2.gz OUFVTKUCESNPOL-BMFZPTHFSA-N 2 1 357.520 0.342 20 0 FCADMP COCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942074 842776445 /nfs/dbraw/zinc/77/64/45/842776445.db2.gz POXGTWMEKCGANG-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942074 842776455 /nfs/dbraw/zinc/77/64/55/842776455.db2.gz POXGTWMEKCGANG-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942074 842776464 /nfs/dbraw/zinc/77/64/64/842776464.db2.gz POXGTWMEKCGANG-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCc3ccns3)C2)O1 ZINC001091096889 842960745 /nfs/dbraw/zinc/96/07/45/842960745.db2.gz DRSBIYFRDKUOLZ-UWLZSVRSSA-N 2 1 352.504 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCc3ccns3)C2)O1 ZINC001091096889 842960751 /nfs/dbraw/zinc/96/07/51/842960751.db2.gz DRSBIYFRDKUOLZ-UWLZSVRSSA-N 2 1 352.504 0.889 20 0 FCADMP Cc1nc(C)c(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091097339 842961994 /nfs/dbraw/zinc/96/19/94/842961994.db2.gz PDKVZDKIYVILPX-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C)c(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091097339 842962000 /nfs/dbraw/zinc/96/20/00/842962000.db2.gz PDKVZDKIYVILPX-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667572 843066386 /nfs/dbraw/zinc/06/63/86/843066386.db2.gz VLJUYUSFGYRWGU-NUJGCVRESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667572 843066395 /nfs/dbraw/zinc/06/63/95/843066395.db2.gz VLJUYUSFGYRWGU-NUJGCVRESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667572 843066402 /nfs/dbraw/zinc/06/64/02/843066402.db2.gz VLJUYUSFGYRWGU-NUJGCVRESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667572 843066410 /nfs/dbraw/zinc/06/64/10/843066410.db2.gz VLJUYUSFGYRWGU-NUJGCVRESA-N 2 1 371.547 0.684 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754516 843088522 /nfs/dbraw/zinc/08/85/22/843088522.db2.gz SJXLNUSXDNIFOH-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754516 843088533 /nfs/dbraw/zinc/08/85/33/843088533.db2.gz SJXLNUSXDNIFOH-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754516 843088546 /nfs/dbraw/zinc/08/85/46/843088546.db2.gz SJXLNUSXDNIFOH-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788418 843096953 /nfs/dbraw/zinc/09/69/53/843096953.db2.gz ZBNBCHUZBWVBCG-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788418 843096963 /nfs/dbraw/zinc/09/69/63/843096963.db2.gz ZBNBCHUZBWVBCG-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788418 843096966 /nfs/dbraw/zinc/09/69/66/843096966.db2.gz ZBNBCHUZBWVBCG-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788418 843096970 /nfs/dbraw/zinc/09/69/70/843096970.db2.gz ZBNBCHUZBWVBCG-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022279 843143183 /nfs/dbraw/zinc/14/31/83/843143183.db2.gz RBSAKLXGSMRUKB-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC001092099165 843160849 /nfs/dbraw/zinc/16/08/49/843160849.db2.gz IGXGPVNYYOLLMU-LMMKCTJWSA-N 2 1 351.491 0.526 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC001092099165 843160857 /nfs/dbraw/zinc/16/08/57/843160857.db2.gz IGXGPVNYYOLLMU-LMMKCTJWSA-N 2 1 351.491 0.526 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145598 843164361 /nfs/dbraw/zinc/16/43/61/843164361.db2.gz PCCYHXVRCVBQIQ-MDZRGWNJSA-N 2 1 353.507 0.912 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303212 843183450 /nfs/dbraw/zinc/18/34/50/843183450.db2.gz ZJQTYMYVAQEKRL-AYBZRNKSSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523142 843227362 /nfs/dbraw/zinc/22/73/62/843227362.db2.gz CHQPXXUZPPKWTN-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523142 843227376 /nfs/dbraw/zinc/22/73/76/843227376.db2.gz CHQPXXUZPPKWTN-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523142 843227388 /nfs/dbraw/zinc/22/73/88/843227388.db2.gz CHQPXXUZPPKWTN-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523142 843227401 /nfs/dbraw/zinc/22/74/01/843227401.db2.gz CHQPXXUZPPKWTN-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605264 843249415 /nfs/dbraw/zinc/24/94/15/843249415.db2.gz YOVCPUUCYWFMOL-OAGGEKHMSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605264 843249421 /nfs/dbraw/zinc/24/94/21/843249421.db2.gz YOVCPUUCYWFMOL-OAGGEKHMSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605264 843249429 /nfs/dbraw/zinc/24/94/29/843249429.db2.gz YOVCPUUCYWFMOL-OAGGEKHMSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605264 843249439 /nfs/dbraw/zinc/24/94/39/843249439.db2.gz YOVCPUUCYWFMOL-OAGGEKHMSA-N 2 1 359.536 0.588 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724711 843285449 /nfs/dbraw/zinc/28/54/49/843285449.db2.gz TVMHUPPUNPCWHH-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724711 843285455 /nfs/dbraw/zinc/28/54/55/843285455.db2.gz TVMHUPPUNPCWHH-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP Cc1nnsc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724711 843285464 /nfs/dbraw/zinc/28/54/64/843285464.db2.gz TVMHUPPUNPCWHH-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP Cc1nnsc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724711 843285469 /nfs/dbraw/zinc/28/54/69/843285469.db2.gz TVMHUPPUNPCWHH-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691271 843457178 /nfs/dbraw/zinc/45/71/78/843457178.db2.gz OOWFHCZWGHNIGV-NFAWXSAZSA-N 2 1 368.503 0.666 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691271 843457184 /nfs/dbraw/zinc/45/71/84/843457184.db2.gz OOWFHCZWGHNIGV-NFAWXSAZSA-N 2 1 368.503 0.666 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857523 843479935 /nfs/dbraw/zinc/47/99/35/843479935.db2.gz JOJMVQSNHFIIDH-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857523 843479938 /nfs/dbraw/zinc/47/99/38/843479938.db2.gz JOJMVQSNHFIIDH-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094043988 843507575 /nfs/dbraw/zinc/50/75/75/843507575.db2.gz HCTXTHXCYKVTGK-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)C1 ZINC001094232357 843537432 /nfs/dbraw/zinc/53/74/32/843537432.db2.gz TXZHTFZQQPMQTP-XNRPHZJLSA-N 2 1 351.451 0.283 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)C1 ZINC001094232357 843537436 /nfs/dbraw/zinc/53/74/36/843537436.db2.gz TXZHTFZQQPMQTP-XNRPHZJLSA-N 2 1 351.451 0.283 20 0 FCADMP COCC[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276357702 861429444 /nfs/dbraw/zinc/42/94/44/861429444.db2.gz PRHLWRCGOYVFRB-QGZVFWFLSA-N 2 1 352.523 0.489 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC1 ZINC001094503669 843558833 /nfs/dbraw/zinc/55/88/33/843558833.db2.gz NEIUWSUJITXUED-SJLPKXTDSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC1 ZINC001094503669 843558839 /nfs/dbraw/zinc/55/88/39/843558839.db2.gz NEIUWSUJITXUED-SJLPKXTDSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001095962926 843768832 /nfs/dbraw/zinc/76/88/32/843768832.db2.gz MLZQZHPCKYGOHH-SIXLDLHFSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001095962926 843768840 /nfs/dbraw/zinc/76/88/40/843768840.db2.gz MLZQZHPCKYGOHH-SIXLDLHFSA-N 2 1 369.531 0.484 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001098447087 843920000 /nfs/dbraw/zinc/92/00/00/843920000.db2.gz YKXNOOIBADEQQG-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001098447087 843920007 /nfs/dbraw/zinc/92/00/07/843920007.db2.gz YKXNOOIBADEQQG-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)C1 ZINC001098447087 843920012 /nfs/dbraw/zinc/92/00/12/843920012.db2.gz YKXNOOIBADEQQG-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)C1 ZINC001098447087 843920018 /nfs/dbraw/zinc/92/00/18/843920018.db2.gz YKXNOOIBADEQQG-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262745 843995482 /nfs/dbraw/zinc/99/54/82/843995482.db2.gz JZENTZJWFUAVPX-MVWJERBFSA-N 2 1 350.385 0.323 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262745 843995485 /nfs/dbraw/zinc/99/54/85/843995485.db2.gz JZENTZJWFUAVPX-MVWJERBFSA-N 2 1 350.385 0.323 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262785 843995738 /nfs/dbraw/zinc/99/57/38/843995738.db2.gz JZYVIBGEQTWQPS-HBNTYKKESA-N 2 1 350.385 0.323 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780862 844646270 /nfs/dbraw/zinc/64/62/70/844646270.db2.gz RQMRQEHPROMGIY-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780862 844646274 /nfs/dbraw/zinc/64/62/74/844646274.db2.gz RQMRQEHPROMGIY-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780862 844646276 /nfs/dbraw/zinc/64/62/76/844646276.db2.gz RQMRQEHPROMGIY-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)CC[NH+]1C ZINC001103003375 844682746 /nfs/dbraw/zinc/68/27/46/844682746.db2.gz NQZCEKAKBKWCDF-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)CC[N@@H+]1C ZINC001103003375 844682752 /nfs/dbraw/zinc/68/27/52/844682752.db2.gz NQZCEKAKBKWCDF-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)CC[N@H+]1C ZINC001103003375 844682758 /nfs/dbraw/zinc/68/27/58/844682758.db2.gz NQZCEKAKBKWCDF-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C)[NH+](C)C ZINC001103111557 844703470 /nfs/dbraw/zinc/70/34/70/844703470.db2.gz AZOGCSPNDLFTKB-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C)[NH+](C)C ZINC001103111557 844703475 /nfs/dbraw/zinc/70/34/75/844703475.db2.gz AZOGCSPNDLFTKB-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378678 844745857 /nfs/dbraw/zinc/74/58/57/844745857.db2.gz DZLHLXPMOSRVPN-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378678 844745860 /nfs/dbraw/zinc/74/58/60/844745860.db2.gz DZLHLXPMOSRVPN-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398397 844751007 /nfs/dbraw/zinc/75/10/07/844751007.db2.gz QULIHJSIJPXXIO-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1C ZINC001103396863 844751061 /nfs/dbraw/zinc/75/10/61/844751061.db2.gz NCPCPFBBFZOJTQ-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1C ZINC001103396863 844751064 /nfs/dbraw/zinc/75/10/64/844751064.db2.gz NCPCPFBBFZOJTQ-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497505 844768349 /nfs/dbraw/zinc/76/83/49/844768349.db2.gz JOFCYYWZYVEBTG-NXHRZFHOSA-N 2 1 355.523 0.800 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598537 844785985 /nfs/dbraw/zinc/78/59/85/844785985.db2.gz QODOGRFRTQAXBT-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(C[C@H]2C(=O)NCCN2CCOCC2)CC1 ZINC001276611499 861498594 /nfs/dbraw/zinc/49/85/94/861498594.db2.gz VQEDUVSYNKYODY-KRWDZBQOSA-N 2 1 352.523 0.489 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718928 844806697 /nfs/dbraw/zinc/80/66/97/844806697.db2.gz KQCGLKGOBTYTAI-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718928 844806704 /nfs/dbraw/zinc/80/67/04/844806704.db2.gz KQCGLKGOBTYTAI-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718928 844806712 /nfs/dbraw/zinc/80/67/12/844806712.db2.gz KQCGLKGOBTYTAI-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718753 844807768 /nfs/dbraw/zinc/80/77/68/844807768.db2.gz DDTBEBMOMXTMBF-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718753 844807775 /nfs/dbraw/zinc/80/77/75/844807775.db2.gz DDTBEBMOMXTMBF-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718753 844807778 /nfs/dbraw/zinc/80/77/78/844807778.db2.gz DDTBEBMOMXTMBF-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751752 844814747 /nfs/dbraw/zinc/81/47/47/844814747.db2.gz OXPUKYKXKVUPGZ-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001103999506 844851288 /nfs/dbraw/zinc/85/12/88/844851288.db2.gz ASTIXOICGXRLAI-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210826 844877484 /nfs/dbraw/zinc/87/74/84/844877484.db2.gz CUYFQNFWJXNYEA-QBPKDAKJSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001104210917 844877597 /nfs/dbraw/zinc/87/75/97/844877597.db2.gz ISOSXGVKYWFDGR-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)CC1 ZINC001276636136 861508458 /nfs/dbraw/zinc/50/84/58/861508458.db2.gz JQGRSXOIKNRBBU-LJQANCHMSA-N 2 1 350.507 0.480 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001104958366 844962845 /nfs/dbraw/zinc/96/28/45/844962845.db2.gz RXQLVHOWJJUPCX-MDZRGWNJSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC(N)=O)CCC2)CC[N@H+]1C ZINC001105539719 844987141 /nfs/dbraw/zinc/98/71/41/844987141.db2.gz OCBLGGVALWCEPQ-BZUAXINKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001105945846 845065460 /nfs/dbraw/zinc/06/54/60/845065460.db2.gz GMQOOASUIFBJNU-OAGGEKHMSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148232 845114961 /nfs/dbraw/zinc/11/49/61/845114961.db2.gz JSVSIMHDZMUCAC-QBPKDAKJSA-N 2 1 352.523 0.878 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106150914 845115709 /nfs/dbraw/zinc/11/57/09/845115709.db2.gz HFLUHJFJROHMOU-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)no1 ZINC001106627146 845208523 /nfs/dbraw/zinc/20/85/23/845208523.db2.gz VCLIOKAYRXZXGH-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001106673369 845221445 /nfs/dbraw/zinc/22/14/45/845221445.db2.gz WRPFBPFGDKKSGD-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106672308 845221809 /nfs/dbraw/zinc/22/18/09/845221809.db2.gz PPBDBNMRSVFASC-ZIAGYGMSSA-N 2 1 351.499 0.372 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106672308 845221817 /nfs/dbraw/zinc/22/18/17/845221817.db2.gz PPBDBNMRSVFASC-ZIAGYGMSSA-N 2 1 351.499 0.372 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCOCC(F)F ZINC001106767498 845247729 /nfs/dbraw/zinc/24/77/29/845247729.db2.gz FBTKYKSNNZWXTI-HUUCEWRRSA-N 2 1 363.449 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001106767839 845248403 /nfs/dbraw/zinc/24/84/03/845248403.db2.gz VXNJFXCLWXMLRU-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCC(=O)OC(C)(C)C)C2)OCC1=O ZINC001276708260 861549431 /nfs/dbraw/zinc/54/94/31/861549431.db2.gz JJXULPXDZMFKLN-GOSISDBHSA-N 2 1 355.479 0.583 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910611 845283946 /nfs/dbraw/zinc/28/39/46/845283946.db2.gz GKHRAZYADHCGHN-HUUCEWRRSA-N 2 1 351.499 0.609 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106906042 845285061 /nfs/dbraw/zinc/28/50/61/845285061.db2.gz SXMYOCAOMKBDDA-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106982404 845299828 /nfs/dbraw/zinc/29/98/28/845299828.db2.gz JFKMVJMDOGKNDP-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107036651 845316041 /nfs/dbraw/zinc/31/60/41/845316041.db2.gz OLAOMHWUGRQJQM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039421 845316939 /nfs/dbraw/zinc/31/69/39/845316939.db2.gz RCRCZGNHLZWBDG-HUUCEWRRSA-N 2 1 351.499 0.778 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449647 845374539 /nfs/dbraw/zinc/37/45/39/845374539.db2.gz RFHDCEUBVSXXOB-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107449647 845374541 /nfs/dbraw/zinc/37/45/41/845374541.db2.gz RFHDCEUBVSXXOB-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107449647 845374547 /nfs/dbraw/zinc/37/45/47/845374547.db2.gz RFHDCEUBVSXXOB-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001107546449 845396192 /nfs/dbraw/zinc/39/61/92/845396192.db2.gz CREIIFUBHXUFFC-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)C1 ZINC001107546449 845396197 /nfs/dbraw/zinc/39/61/97/845396197.db2.gz CREIIFUBHXUFFC-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)C1 ZINC001107546449 845396203 /nfs/dbraw/zinc/39/62/03/845396203.db2.gz CREIIFUBHXUFFC-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107582550 845403394 /nfs/dbraw/zinc/40/33/94/845403394.db2.gz KEZXIUPAELLGJT-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107609388 845407073 /nfs/dbraw/zinc/40/70/73/845407073.db2.gz PYVCFRBBPOYUKR-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107609388 845407065 /nfs/dbraw/zinc/40/70/65/845407065.db2.gz PYVCFRBBPOYUKR-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107609388 845407070 /nfs/dbraw/zinc/40/70/70/845407070.db2.gz PYVCFRBBPOYUKR-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107609388 845407076 /nfs/dbraw/zinc/40/70/76/845407076.db2.gz PYVCFRBBPOYUKR-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633904 845412149 /nfs/dbraw/zinc/41/21/49/845412149.db2.gz GCWQBGPCACJDSY-LZLYRXPVSA-N 2 1 350.463 0.560 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633904 845412153 /nfs/dbraw/zinc/41/21/53/845412153.db2.gz GCWQBGPCACJDSY-LZLYRXPVSA-N 2 1 350.463 0.560 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109396811 845643982 /nfs/dbraw/zinc/64/39/82/845643982.db2.gz KBMNZXHGIWOBOO-BDXSIMOUSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109396811 845643988 /nfs/dbraw/zinc/64/39/88/845643988.db2.gz KBMNZXHGIWOBOO-BDXSIMOUSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109396811 845643995 /nfs/dbraw/zinc/64/39/95/845643995.db2.gz KBMNZXHGIWOBOO-BDXSIMOUSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001109426939 845650575 /nfs/dbraw/zinc/65/05/75/845650575.db2.gz GKWKKHMMJPJRON-CVYDXHPNSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001109426939 845650579 /nfs/dbraw/zinc/65/05/79/845650579.db2.gz GKWKKHMMJPJRON-CVYDXHPNSA-N 2 1 350.507 0.915 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109653950 845705149 /nfs/dbraw/zinc/70/51/49/845705149.db2.gz OQEDQWGDBFZMFT-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109655122 845705236 /nfs/dbraw/zinc/70/52/36/845705236.db2.gz HSYOFNNXSPSMHO-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109673306 845711670 /nfs/dbraw/zinc/71/16/70/845711670.db2.gz HTZMNXOZXIPVKK-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109673306 845711674 /nfs/dbraw/zinc/71/16/74/845711674.db2.gz HTZMNXOZXIPVKK-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109798234 845737484 /nfs/dbraw/zinc/73/74/84/845737484.db2.gz AVZRMDJYRYKGFH-VSZNYVQBSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109798234 845737488 /nfs/dbraw/zinc/73/74/88/845737488.db2.gz AVZRMDJYRYKGFH-VSZNYVQBSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109798234 845737491 /nfs/dbraw/zinc/73/74/91/845737491.db2.gz AVZRMDJYRYKGFH-VSZNYVQBSA-N 2 1 353.507 0.980 20 0 FCADMP CCS(=O)(=O)CC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276772693 861600214 /nfs/dbraw/zinc/60/02/14/861600214.db2.gz RISBLTXGZDOSRU-KRWDZBQOSA-N 2 1 359.536 0.687 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001109932929 845762556 /nfs/dbraw/zinc/76/25/56/845762556.db2.gz ZJZRJLSGHGEBTP-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109932929 845762564 /nfs/dbraw/zinc/76/25/64/845762564.db2.gz ZJZRJLSGHGEBTP-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109932929 845762568 /nfs/dbraw/zinc/76/25/68/845762568.db2.gz ZJZRJLSGHGEBTP-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109932763 845763231 /nfs/dbraw/zinc/76/32/31/845763231.db2.gz RWRLZUIRMLXOOJ-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109932763 845763235 /nfs/dbraw/zinc/76/32/35/845763235.db2.gz RWRLZUIRMLXOOJ-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109932763 845763236 /nfs/dbraw/zinc/76/32/36/845763236.db2.gz RWRLZUIRMLXOOJ-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109932763 845763240 /nfs/dbraw/zinc/76/32/40/845763240.db2.gz RWRLZUIRMLXOOJ-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CC(F)(F)F ZINC001109979239 845771178 /nfs/dbraw/zinc/77/11/78/845771178.db2.gz XVDRPMMEHXIDFG-RFGFWPKPSA-N 2 1 367.412 0.599 20 0 FCADMP COCCOCN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794385 861610438 /nfs/dbraw/zinc/61/04/38/861610438.db2.gz IQEPZFQEGLWVAR-QAPCUYQASA-N 2 1 357.495 0.280 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC)CC[N@@H+]1C ZINC001110576439 845921923 /nfs/dbraw/zinc/92/19/23/845921923.db2.gz IPNLAHDGLZSMPH-JJTUDDRGSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC)CC[N@H+]1C ZINC001110576439 845921929 /nfs/dbraw/zinc/92/19/29/845921929.db2.gz IPNLAHDGLZSMPH-JJTUDDRGSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC)CC[NH+]1C ZINC001110576439 845921937 /nfs/dbraw/zinc/92/19/37/845921937.db2.gz IPNLAHDGLZSMPH-JJTUDDRGSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC)CC[NH+]1C ZINC001110576439 845921946 /nfs/dbraw/zinc/92/19/46/845921946.db2.gz IPNLAHDGLZSMPH-JJTUDDRGSA-N 2 1 350.507 0.917 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862195 845985817 /nfs/dbraw/zinc/98/58/17/845985817.db2.gz BUABRVIPABASQL-VQHPVUNQSA-N 2 1 353.507 0.980 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956322 845999920 /nfs/dbraw/zinc/99/99/20/845999920.db2.gz COCRTJROGADFGQ-JJXSEGSLSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956322 845999925 /nfs/dbraw/zinc/99/99/25/845999925.db2.gz COCRTJROGADFGQ-JJXSEGSLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2C[C@@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820131 861631434 /nfs/dbraw/zinc/63/14/34/861631434.db2.gz YRWWFJDUFPTQFO-KDOFPFPSSA-N 2 1 355.479 0.318 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979043 846006921 /nfs/dbraw/zinc/00/69/21/846006921.db2.gz OOUXLDGQBDTKBZ-ZACQAIPSSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979043 846006934 /nfs/dbraw/zinc/00/69/34/846006934.db2.gz OOUXLDGQBDTKBZ-ZACQAIPSSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C(=O)OC(C)(C)C ZINC001276819086 861629878 /nfs/dbraw/zinc/62/98/78/861629878.db2.gz SXMGSLOWHCYXHA-KFWWJZLASA-N 2 1 355.479 0.316 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001111037147 846020628 /nfs/dbraw/zinc/02/06/28/846020628.db2.gz MOMJTOMCRCDSOZ-KBXIAJHMSA-N 2 1 350.463 0.197 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001111037147 846020637 /nfs/dbraw/zinc/02/06/37/846020637.db2.gz MOMJTOMCRCDSOZ-KBXIAJHMSA-N 2 1 350.463 0.197 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCCO1 ZINC001111152484 846049606 /nfs/dbraw/zinc/04/96/06/846049606.db2.gz XTFQPFMSYWQWJI-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCCO1 ZINC001111152484 846049612 /nfs/dbraw/zinc/04/96/12/846049612.db2.gz XTFQPFMSYWQWJI-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111172757 846053344 /nfs/dbraw/zinc/05/33/44/846053344.db2.gz PQMQKTUXEJFBAL-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111172757 846053353 /nfs/dbraw/zinc/05/33/53/846053353.db2.gz PQMQKTUXEJFBAL-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001111171876 846053674 /nfs/dbraw/zinc/05/36/74/846053674.db2.gz YDKYOHUTBYPURJ-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001111171876 846053679 /nfs/dbraw/zinc/05/36/79/846053679.db2.gz YDKYOHUTBYPURJ-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001111233284 846065686 /nfs/dbraw/zinc/06/56/86/846065686.db2.gz LDGNCQYMBKUVAA-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC ZINC001111233284 846065693 /nfs/dbraw/zinc/06/56/93/846065693.db2.gz LDGNCQYMBKUVAA-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001111233284 846065701 /nfs/dbraw/zinc/06/57/01/846065701.db2.gz LDGNCQYMBKUVAA-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111233612 846066200 /nfs/dbraw/zinc/06/62/00/846066200.db2.gz RWRLZUIRMLXOOJ-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111233612 846066208 /nfs/dbraw/zinc/06/62/08/846066208.db2.gz RWRLZUIRMLXOOJ-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111233612 846066214 /nfs/dbraw/zinc/06/62/14/846066214.db2.gz RWRLZUIRMLXOOJ-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111233612 846066222 /nfs/dbraw/zinc/06/62/22/846066222.db2.gz RWRLZUIRMLXOOJ-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281465 846077981 /nfs/dbraw/zinc/07/79/81/846077981.db2.gz SOQONVGQNGECJH-JJXSEGSLSA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281465 846077987 /nfs/dbraw/zinc/07/79/87/846077987.db2.gz SOQONVGQNGECJH-JJXSEGSLSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854558 846232239 /nfs/dbraw/zinc/23/22/39/846232239.db2.gz RPZORERMHVIMPN-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111857874 846233093 /nfs/dbraw/zinc/23/30/93/846233093.db2.gz CRAWUFBVGLSECN-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001111864279 846234829 /nfs/dbraw/zinc/23/48/29/846234829.db2.gz IOEQXERVEQEJEN-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111870619 846238582 /nfs/dbraw/zinc/23/85/82/846238582.db2.gz GXWJKEQVARKLQN-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111870619 846238588 /nfs/dbraw/zinc/23/85/88/846238588.db2.gz GXWJKEQVARKLQN-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111870619 846238597 /nfs/dbraw/zinc/23/85/97/846238597.db2.gz GXWJKEQVARKLQN-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111870619 846238605 /nfs/dbraw/zinc/23/86/05/846238605.db2.gz GXWJKEQVARKLQN-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870570 846238862 /nfs/dbraw/zinc/23/88/62/846238862.db2.gz DGQNWGKESYJKMJ-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870570 846238868 /nfs/dbraw/zinc/23/88/68/846238868.db2.gz DGQNWGKESYJKMJ-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870570 846238877 /nfs/dbraw/zinc/23/88/77/846238877.db2.gz DGQNWGKESYJKMJ-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870570 846238884 /nfs/dbraw/zinc/23/88/84/846238884.db2.gz DGQNWGKESYJKMJ-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111952553 846273823 /nfs/dbraw/zinc/27/38/23/846273823.db2.gz NQVZKMBRVOEXON-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111952553 846273828 /nfs/dbraw/zinc/27/38/28/846273828.db2.gz NQVZKMBRVOEXON-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111952553 846273836 /nfs/dbraw/zinc/27/38/36/846273836.db2.gz NQVZKMBRVOEXON-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111952553 846273845 /nfs/dbraw/zinc/27/38/45/846273845.db2.gz NQVZKMBRVOEXON-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001111952619 846274035 /nfs/dbraw/zinc/27/40/35/846274035.db2.gz RFHGPBZYBZZDQV-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111952619 846274043 /nfs/dbraw/zinc/27/40/43/846274043.db2.gz RFHGPBZYBZZDQV-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111952619 846274052 /nfs/dbraw/zinc/27/40/52/846274052.db2.gz RFHGPBZYBZZDQV-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111984777 846283082 /nfs/dbraw/zinc/28/30/82/846283082.db2.gz OFXRMPGXYQKSMN-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111984777 846283087 /nfs/dbraw/zinc/28/30/87/846283087.db2.gz OFXRMPGXYQKSMN-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001112009691 846294951 /nfs/dbraw/zinc/29/49/51/846294951.db2.gz PFIXEAYWPDCZEA-DEYYWGMASA-N 2 1 350.463 0.103 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001112009691 846294958 /nfs/dbraw/zinc/29/49/58/846294958.db2.gz PFIXEAYWPDCZEA-DEYYWGMASA-N 2 1 350.463 0.103 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001112009691 846294959 /nfs/dbraw/zinc/29/49/59/846294959.db2.gz PFIXEAYWPDCZEA-DEYYWGMASA-N 2 1 350.463 0.103 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070695 846348199 /nfs/dbraw/zinc/34/81/99/846348199.db2.gz BCDVWIJWCSYODX-UTUOFQBUSA-N 2 1 350.385 0.196 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070695 846348208 /nfs/dbraw/zinc/34/82/08/846348208.db2.gz BCDVWIJWCSYODX-UTUOFQBUSA-N 2 1 350.385 0.196 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112071250 846350036 /nfs/dbraw/zinc/35/00/36/846350036.db2.gz WZIKRUGKOARSDS-JHJVBQTASA-N 2 1 362.396 0.338 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112071250 846350048 /nfs/dbraw/zinc/35/00/48/846350048.db2.gz WZIKRUGKOARSDS-JHJVBQTASA-N 2 1 362.396 0.338 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C(F)(F)F ZINC001112102429 846382579 /nfs/dbraw/zinc/38/25/79/846382579.db2.gz INNYYCLUGIQXQN-JHJVBQTASA-N 2 1 362.396 0.053 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112110270 846389131 /nfs/dbraw/zinc/38/91/31/846389131.db2.gz GOXUYOSVPKHADZ-GMTAPVOTSA-N 2 1 356.364 0.131 20 0 FCADMP CC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276898796 861676521 /nfs/dbraw/zinc/67/65/21/861676521.db2.gz CZBDREBLAWXNKF-CGTJXYLNSA-N 2 1 350.507 0.667 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112182035 846442186 /nfs/dbraw/zinc/44/21/86/846442186.db2.gz KXKCQRLUCRRNNY-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001112182210 846443387 /nfs/dbraw/zinc/44/33/87/846443387.db2.gz UVHNSNXBNMYWEH-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112189166 846449128 /nfs/dbraw/zinc/44/91/28/846449128.db2.gz SVZGHJCUVPQVPE-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112189166 846449134 /nfs/dbraw/zinc/44/91/34/846449134.db2.gz SVZGHJCUVPQVPE-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001112196498 846454795 /nfs/dbraw/zinc/45/47/95/846454795.db2.gz NWDLJRMCMICJJD-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001112196498 846454801 /nfs/dbraw/zinc/45/48/01/846454801.db2.gz NWDLJRMCMICJJD-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112197490 846455487 /nfs/dbraw/zinc/45/54/87/846455487.db2.gz URVBCPVOYBMHGT-YNEHKIRRSA-N 2 1 366.428 0.832 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112197490 846455491 /nfs/dbraw/zinc/45/54/91/846455491.db2.gz URVBCPVOYBMHGT-YNEHKIRRSA-N 2 1 366.428 0.832 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112198234 846456405 /nfs/dbraw/zinc/45/64/05/846456405.db2.gz JMVBULKYCZYPRQ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112198234 846456419 /nfs/dbraw/zinc/45/64/19/846456419.db2.gz JMVBULKYCZYPRQ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112198216 846456894 /nfs/dbraw/zinc/45/68/94/846456894.db2.gz HZNGPXNVWLWIIN-CHWSQXEVSA-N 2 1 355.401 0.316 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112198532 846456969 /nfs/dbraw/zinc/45/69/69/846456969.db2.gz ZWWQLJOWECPUPX-CHWSQXEVSA-N 2 1 362.400 0.599 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112198107 846457085 /nfs/dbraw/zinc/45/70/85/846457085.db2.gz AWDNJRCIEAEBAW-YNEHKIRRSA-N 2 1 366.428 0.784 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C2)C1 ZINC001112208160 846465043 /nfs/dbraw/zinc/46/50/43/846465043.db2.gz OZFPTDWVFKUXDI-JHJVBQTASA-N 2 1 353.385 0.332 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C2)C1 ZINC001112208160 846465048 /nfs/dbraw/zinc/46/50/48/846465048.db2.gz OZFPTDWVFKUXDI-JHJVBQTASA-N 2 1 353.385 0.332 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112209001 846466041 /nfs/dbraw/zinc/46/60/41/846466041.db2.gz UHTFOWIGJCXAAW-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112209001 846466048 /nfs/dbraw/zinc/46/60/48/846466048.db2.gz UHTFOWIGJCXAAW-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112284908 846488064 /nfs/dbraw/zinc/48/80/64/846488064.db2.gz DSMMLADPSMXCTI-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112380779 846499051 /nfs/dbraw/zinc/49/90/51/846499051.db2.gz YUNDLUDNRGIEHN-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112436829 846503905 /nfs/dbraw/zinc/50/39/05/846503905.db2.gz IQJLXJFEIDYTQU-LPHOPBHVSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112529611 846516523 /nfs/dbraw/zinc/51/65/23/846516523.db2.gz HUWMLFAKIBJIIX-AOIWGVFYSA-N 2 1 353.507 0.698 20 0 FCADMP COC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546673 846520396 /nfs/dbraw/zinc/52/03/96/846520396.db2.gz YJCXWEMXSKXJQZ-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112578648 846529075 /nfs/dbraw/zinc/52/90/75/846529075.db2.gz YQNMJAGVEFMTDR-VYDXJSESSA-N 2 1 357.520 0.201 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001112583474 846531325 /nfs/dbraw/zinc/53/13/25/846531325.db2.gz UHEFVYZCSGPMIG-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583474 846531327 /nfs/dbraw/zinc/53/13/27/846531327.db2.gz UHEFVYZCSGPMIG-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276960009 861707376 /nfs/dbraw/zinc/70/73/76/861707376.db2.gz NDHJBCLKEQFJAR-SJORKVTESA-N 2 1 352.523 0.223 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714334 846744687 /nfs/dbraw/zinc/74/46/87/846744687.db2.gz DFQVOZWNOAMQIV-KBPBESRZSA-N 2 1 350.467 0.182 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001116977907 846826416 /nfs/dbraw/zinc/82/64/16/846826416.db2.gz XSQWYHNFXDGIDL-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001117091179 846884123 /nfs/dbraw/zinc/88/41/23/846884123.db2.gz AJVVTWHMDUYJRK-GOEBONIOSA-N 2 1 354.495 0.012 20 0 FCADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC001119374650 847826661 /nfs/dbraw/zinc/82/66/61/847826661.db2.gz BTVJGZGTIAIRLY-QZTJIDSGSA-N 2 1 353.507 0.711 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119481898 847858130 /nfs/dbraw/zinc/85/81/30/847858130.db2.gz ANTHDSHZLSPMFR-ULQDDVLXSA-N 2 1 353.511 0.162 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556239 848241128 /nfs/dbraw/zinc/24/11/28/848241128.db2.gz RWYZUNZGEDLKSB-HOTGVXAUSA-N 2 1 352.479 0.404 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001120627076 848257104 /nfs/dbraw/zinc/25/71/04/848257104.db2.gz WKVWHXBPFYVUKM-XHSDSOJGSA-N 2 1 352.479 0.389 20 0 FCADMP CCCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133870 848321351 /nfs/dbraw/zinc/32/13/51/848321351.db2.gz JHMOAFFRPCMTPK-ITFIPKOWSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)C(=O)N(C)C ZINC001121133609 848321542 /nfs/dbraw/zinc/32/15/42/848321542.db2.gz DZSKJBVOOHBSRA-VBEFQAESSA-N 2 1 350.507 0.820 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001121939308 848422082 /nfs/dbraw/zinc/42/20/82/848422082.db2.gz UZPVOPUIAKFXFJ-CYBMUJFWSA-N 2 1 352.401 0.003 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001123614690 848613529 /nfs/dbraw/zinc/61/35/29/848613529.db2.gz OUTDRXITMIURHG-HOTGVXAUSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001123614690 848613538 /nfs/dbraw/zinc/61/35/38/848613538.db2.gz OUTDRXITMIURHG-HOTGVXAUSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001123614690 848613542 /nfs/dbraw/zinc/61/35/42/848613542.db2.gz OUTDRXITMIURHG-HOTGVXAUSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001123614690 848613547 /nfs/dbraw/zinc/61/35/47/848613547.db2.gz OUTDRXITMIURHG-HOTGVXAUSA-N 2 1 352.479 0.751 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659805 848731501 /nfs/dbraw/zinc/73/15/01/848731501.db2.gz LUPIRAAZQSZMMI-GZBFAFLISA-N 2 1 352.504 0.799 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)c2ccco2)CC[N@H+]1C ZINC001127701050 848732719 /nfs/dbraw/zinc/73/27/19/848732719.db2.gz GDMUGKGPLYZJPD-SOUVJXGZSA-N 2 1 350.463 0.893 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049519 848799237 /nfs/dbraw/zinc/79/92/37/848799237.db2.gz ZPMCQTBRXOHTLD-CABCVRRESA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064981 848802264 /nfs/dbraw/zinc/80/22/64/848802264.db2.gz PGEQDPKIEBVJTQ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064981 848802271 /nfs/dbraw/zinc/80/22/71/848802271.db2.gz PGEQDPKIEBVJTQ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064981 848802282 /nfs/dbraw/zinc/80/22/82/848802282.db2.gz PGEQDPKIEBVJTQ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064981 848802288 /nfs/dbraw/zinc/80/22/88/848802288.db2.gz PGEQDPKIEBVJTQ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204777 848818040 /nfs/dbraw/zinc/81/80/40/848818040.db2.gz JOCDRJNCDOGHGC-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129204768 848818539 /nfs/dbraw/zinc/81/85/39/848818539.db2.gz JGLLKXWJRKFPAE-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011978 848930693 /nfs/dbraw/zinc/93/06/93/848930693.db2.gz HKRUPNFJLYQYTP-CABCVRRESA-N 2 1 352.483 0.244 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075583 848939870 /nfs/dbraw/zinc/93/98/70/848939870.db2.gz VOLSTGMJABEYLI-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123369 848947471 /nfs/dbraw/zinc/94/74/71/848947471.db2.gz OVYVSAMBVMIRSX-UPJWGTAASA-N 2 1 360.384 0.524 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1cccs1 ZINC001130184139 848961673 /nfs/dbraw/zinc/96/16/73/848961673.db2.gz BZFRNRKQUCAEGL-UMVBOHGHSA-N 2 1 368.503 0.178 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1cccs1 ZINC001130184139 848961677 /nfs/dbraw/zinc/96/16/77/848961677.db2.gz BZFRNRKQUCAEGL-UMVBOHGHSA-N 2 1 368.503 0.178 20 0 FCADMP CCCCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184131 848962381 /nfs/dbraw/zinc/96/23/81/848962381.db2.gz BPQPAINMHZPIJK-BZUAXINKSA-N 2 1 356.511 0.496 20 0 FCADMP CCCCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184131 848962386 /nfs/dbraw/zinc/96/23/86/848962386.db2.gz BPQPAINMHZPIJK-BZUAXINKSA-N 2 1 356.511 0.496 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001130184325 848963638 /nfs/dbraw/zinc/96/36/38/848963638.db2.gz LVMBTOKHSKAFQK-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001130184325 848963641 /nfs/dbraw/zinc/96/36/41/848963641.db2.gz LVMBTOKHSKAFQK-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130232460 848981763 /nfs/dbraw/zinc/98/17/63/848981763.db2.gz IFGFNHMURNSMGB-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130232460 848981767 /nfs/dbraw/zinc/98/17/67/848981767.db2.gz IFGFNHMURNSMGB-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234575 848981995 /nfs/dbraw/zinc/98/19/95/848981995.db2.gz BAZHGAMZKBGAPH-KBPBESRZSA-N 2 1 352.483 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234575 848981999 /nfs/dbraw/zinc/98/19/99/848981999.db2.gz BAZHGAMZKBGAPH-KBPBESRZSA-N 2 1 352.483 0.491 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130237994 848983120 /nfs/dbraw/zinc/98/31/20/848983120.db2.gz NOZZUCVOUJJJIF-IHRRRGAJSA-N 2 1 352.483 0.633 20 0 FCADMP CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130242122 848984416 /nfs/dbraw/zinc/98/44/16/848984416.db2.gz HBEDSGJLVQIZJT-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001130291169 848996881 /nfs/dbraw/zinc/99/68/81/848996881.db2.gz ZURFZQFFMZLJTB-APWZRJJASA-N 2 1 350.507 0.966 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737154 849030887 /nfs/dbraw/zinc/03/08/87/849030887.db2.gz VEHSNNNMPXYJHV-HLLBOEOZSA-N 2 1 351.495 0.679 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n2)O1 ZINC001130820360 849049407 /nfs/dbraw/zinc/04/94/07/849049407.db2.gz UZUUNFFFKBEFIM-UONOGXRCSA-N 2 1 352.483 0.981 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131101370 849079559 /nfs/dbraw/zinc/07/95/59/849079559.db2.gz XVZIHWMPPWZFIS-BZUAXINKSA-N 2 1 351.495 0.681 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313686 849094874 /nfs/dbraw/zinc/09/48/74/849094874.db2.gz ZWVQAEOTXLMSRH-KFWWJZLASA-N 2 1 350.463 0.454 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313686 849094881 /nfs/dbraw/zinc/09/48/81/849094881.db2.gz ZWVQAEOTXLMSRH-KFWWJZLASA-N 2 1 350.463 0.454 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131313389 849095313 /nfs/dbraw/zinc/09/53/13/849095313.db2.gz QEKOYVLKRMBYPT-ZNMIVQPWSA-N 2 1 356.442 0.404 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131313389 849095323 /nfs/dbraw/zinc/09/53/23/849095323.db2.gz QEKOYVLKRMBYPT-ZNMIVQPWSA-N 2 1 356.442 0.404 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)CC(C)(C)C ZINC001131564709 849123715 /nfs/dbraw/zinc/12/37/15/849123715.db2.gz RJFUGTMEPSFNBB-AEFFLSMTSA-N 2 1 355.523 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131588166 849127829 /nfs/dbraw/zinc/12/78/29/849127829.db2.gz VBGLNLHLPKCKTK-UNEWFSDZSA-N 2 1 354.495 0.188 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131606843 849129386 /nfs/dbraw/zinc/12/93/86/849129386.db2.gz INPIICFEUMQTFY-AEFFLSMTSA-N 2 1 350.463 0.560 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001142629638 849456697 /nfs/dbraw/zinc/45/66/97/849456697.db2.gz UGCWHYQOWORSMW-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001277713428 862026228 /nfs/dbraw/zinc/02/62/28/862026228.db2.gz SBXRPIMSBCKVEW-KZNAEPCWSA-N 2 1 352.523 0.460 20 0 FCADMP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001277713428 862026247 /nfs/dbraw/zinc/02/62/47/862026247.db2.gz SBXRPIMSBCKVEW-KZNAEPCWSA-N 2 1 352.523 0.460 20 0 FCADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001277713428 862026264 /nfs/dbraw/zinc/02/62/64/862026264.db2.gz SBXRPIMSBCKVEW-KZNAEPCWSA-N 2 1 352.523 0.460 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582651 849584907 /nfs/dbraw/zinc/58/49/07/849584907.db2.gz AFSCPSGXRAPZIC-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582651 849584913 /nfs/dbraw/zinc/58/49/13/849584913.db2.gz AFSCPSGXRAPZIC-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582651 849584917 /nfs/dbraw/zinc/58/49/17/849584917.db2.gz AFSCPSGXRAPZIC-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582651 849584921 /nfs/dbraw/zinc/58/49/21/849584921.db2.gz AFSCPSGXRAPZIC-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(C)C)C3)CC[N@@H+]1C ZINC001147583983 849586854 /nfs/dbraw/zinc/58/68/54/849586854.db2.gz ZZKHGNMBNNLPHU-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(C)C)C3)CC[N@H+]1C ZINC001147583983 849586862 /nfs/dbraw/zinc/58/68/62/849586862.db2.gz ZZKHGNMBNNLPHU-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(C)C)C3)CC[NH+]1C ZINC001147583983 849586869 /nfs/dbraw/zinc/58/68/69/849586869.db2.gz ZZKHGNMBNNLPHU-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(C)C)C3)CC[NH+]1C ZINC001147583983 849586877 /nfs/dbraw/zinc/58/68/77/849586877.db2.gz ZZKHGNMBNNLPHU-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734455 849646384 /nfs/dbraw/zinc/64/63/84/849646384.db2.gz XVFGDAVZPPDLMW-IXDOHACOSA-N 2 1 357.495 0.197 20 0 FCADMP COCCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734455 849646394 /nfs/dbraw/zinc/64/63/94/849646394.db2.gz XVFGDAVZPPDLMW-IXDOHACOSA-N 2 1 357.495 0.197 20 0 FCADMP COCCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734455 849646401 /nfs/dbraw/zinc/64/64/01/849646401.db2.gz XVFGDAVZPPDLMW-IXDOHACOSA-N 2 1 357.495 0.197 20 0 FCADMP CCOCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881388 849649836 /nfs/dbraw/zinc/64/98/36/849649836.db2.gz MKYFICJEBGDEJH-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881388 849649838 /nfs/dbraw/zinc/64/98/38/849649838.db2.gz MKYFICJEBGDEJH-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881388 849649842 /nfs/dbraw/zinc/64/98/42/849649842.db2.gz MKYFICJEBGDEJH-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881388 849649847 /nfs/dbraw/zinc/64/98/47/849649847.db2.gz MKYFICJEBGDEJH-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCN2CCNC2=O)CC[N@H+]1C ZINC001153501121 849749555 /nfs/dbraw/zinc/74/95/55/849749555.db2.gz FPCKZNSLOKKBAE-OWCLPIDISA-N 2 1 353.511 0.569 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN2CCNC2=O)CC[NH+]1C ZINC001153501121 849749562 /nfs/dbraw/zinc/74/95/62/849749562.db2.gz FPCKZNSLOKKBAE-OWCLPIDISA-N 2 1 353.511 0.569 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCN2CCNC2=O)CC[NH+]1C ZINC001153501121 849749567 /nfs/dbraw/zinc/74/95/67/849749567.db2.gz FPCKZNSLOKKBAE-OWCLPIDISA-N 2 1 353.511 0.569 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc(CF)n3)C2)OCC1=O ZINC001277768283 862059493 /nfs/dbraw/zinc/05/94/93/862059493.db2.gz JJLJOADJSRFGSU-GOSISDBHSA-N 2 1 350.438 0.916 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc(CF)n3)C2)OCC1=O ZINC001277768283 862059505 /nfs/dbraw/zinc/05/95/05/862059505.db2.gz JJLJOADJSRFGSU-GOSISDBHSA-N 2 1 350.438 0.916 20 0 FCADMP CCOC(=O)c1c(C[NH3+])ncn1-c1nc(Cl)nc2c1C[N@@H+](C)CC2 ZINC001155083556 849829122 /nfs/dbraw/zinc/82/91/22/849829122.db2.gz KVIMLSPPPWFWLB-UHFFFAOYSA-N 2 1 350.810 0.939 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc1 ZINC001155381952 849849967 /nfs/dbraw/zinc/84/99/67/849849967.db2.gz IZJDNSQDIMBDKF-AWEZNQCLSA-N 2 1 353.492 0.191 20 0 FCADMP Cc1[nH+]c(N)ccc1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001156974346 849935470 /nfs/dbraw/zinc/93/54/70/849935470.db2.gz JAPLWEXGNSLULX-UHFFFAOYSA-N 2 1 362.459 0.466 20 0 FCADMP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071315 850015778 /nfs/dbraw/zinc/01/57/78/850015778.db2.gz ZWWFCPSQCAAHBE-INIZCTEOSA-N 3 1 350.507 0.431 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCCc2cccs2)CC[N@H+]1C ZINC001158379603 850041180 /nfs/dbraw/zinc/04/11/80/850041180.db2.gz DNZQDGDKYDCAAT-GDBMZVCRSA-N 2 1 366.531 0.843 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC001158380723 850042211 /nfs/dbraw/zinc/04/22/11/850042211.db2.gz VMEJFBXILDCKTN-RBSFLKMASA-N 2 1 350.463 0.893 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380288 850042252 /nfs/dbraw/zinc/04/22/52/850042252.db2.gz OWPLJWBMBRZDAU-BFHYXJOUSA-N 2 1 355.483 0.045 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]CCS1)C2 ZINC001158382114 850042406 /nfs/dbraw/zinc/04/24/06/850042406.db2.gz IFORWVCPHAJDMV-WQAKAFBOSA-N 2 1 367.393 0.193 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]CCS1)C2 ZINC001158382110 850042750 /nfs/dbraw/zinc/04/27/50/850042750.db2.gz IFORWVCPHAJDMV-OASPWFOLSA-N 2 1 367.393 0.193 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001158384911 850044374 /nfs/dbraw/zinc/04/43/74/850044374.db2.gz TYJDCHVJKVSJCC-CABCVRRESA-N 2 1 365.396 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001158403385 850047205 /nfs/dbraw/zinc/04/72/05/850047205.db2.gz HTVVVBOGJDTRGQ-QWHCGFSZSA-N 2 1 366.428 0.881 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001158404074 850048106 /nfs/dbraw/zinc/04/81/06/850048106.db2.gz PKTFUAMIAHTNCC-OWCLPIDISA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(C)N(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159161109 850098411 /nfs/dbraw/zinc/09/84/11/850098411.db2.gz XMNLWGMZXQWVTH-MRXNPFEDSA-N 3 1 352.523 0.866 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159159607 850098516 /nfs/dbraw/zinc/09/85/16/850098516.db2.gz CBZQMQLODANMNP-KBPBESRZSA-N 2 1 355.479 0.805 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834267 850139017 /nfs/dbraw/zinc/13/90/17/850139017.db2.gz UNSPJDAMNIGGQN-RRFJBIMHSA-N 2 1 350.488 0.944 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834256 850139265 /nfs/dbraw/zinc/13/92/65/850139265.db2.gz UGXHLAUSYMSFNX-QLFBSQMISA-N 3 1 361.515 0.375 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834256 850139270 /nfs/dbraw/zinc/13/92/70/850139270.db2.gz UGXHLAUSYMSFNX-QLFBSQMISA-N 2 1 361.515 0.375 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+]([C@@H](C)C(=O)NC)CC2)CC[N@H+]1C ZINC001160168847 850155924 /nfs/dbraw/zinc/15/59/24/850155924.db2.gz AYXJESNWJFXINA-BHYGNILZSA-N 2 1 350.507 0.990 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+]([C@@H](C)C(=O)NC)CC2)CC[NH+]1C ZINC001160168847 850155929 /nfs/dbraw/zinc/15/59/29/850155929.db2.gz AYXJESNWJFXINA-BHYGNILZSA-N 2 1 350.507 0.990 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+]([C@@H](C)C(=O)NC)CC2)CC[NH+]1C ZINC001160168847 850155931 /nfs/dbraw/zinc/15/59/31/850155931.db2.gz AYXJESNWJFXINA-BHYGNILZSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175357 850157736 /nfs/dbraw/zinc/15/77/36/850157736.db2.gz NNUMXJDLKPFXOU-HLLBOEOZSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175357 850157744 /nfs/dbraw/zinc/15/77/44/850157744.db2.gz NNUMXJDLKPFXOU-HLLBOEOZSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175357 850157752 /nfs/dbraw/zinc/15/77/52/850157752.db2.gz NNUMXJDLKPFXOU-HLLBOEOZSA-N 2 1 350.507 0.942 20 0 FCADMP CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCC1=O ZINC001160426536 850172249 /nfs/dbraw/zinc/17/22/49/850172249.db2.gz FLHWWNZXDCQCFT-CABCVRRESA-N 2 1 355.479 0.853 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCOC[C@H]2CCCCO2)O1 ZINC001160857587 850207909 /nfs/dbraw/zinc/20/79/09/850207909.db2.gz LYEOYUVNPURWAB-BRWVUGGUSA-N 2 1 357.495 0.387 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCOC[C@H]2CCCCO2)O1 ZINC001160857587 850207922 /nfs/dbraw/zinc/20/79/22/850207922.db2.gz LYEOYUVNPURWAB-BRWVUGGUSA-N 2 1 357.495 0.387 20 0 FCADMP CCOc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160862891 850209257 /nfs/dbraw/zinc/20/92/57/850209257.db2.gz ZZXRMYRCJXJBHG-GDBMZVCRSA-N 2 1 350.463 0.795 20 0 FCADMP CCOc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160862891 850209261 /nfs/dbraw/zinc/20/92/61/850209261.db2.gz ZZXRMYRCJXJBHG-GDBMZVCRSA-N 2 1 350.463 0.795 20 0 FCADMP CC1CCN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160862253 850210168 /nfs/dbraw/zinc/21/01/68/850210168.db2.gz JOJHYGVUJYLGEP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC1CCN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160862253 850210179 /nfs/dbraw/zinc/21/01/79/850210179.db2.gz JOJHYGVUJYLGEP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001161884263 850288652 /nfs/dbraw/zinc/28/86/52/850288652.db2.gz MTYOFIVSGDHUJI-BZSNNMDCSA-N 2 1 353.507 0.837 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001164582311 850417527 /nfs/dbraw/zinc/41/75/27/850417527.db2.gz HGRYJRNKOZSIMW-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCC(N(C)c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001165069214 850422676 /nfs/dbraw/zinc/42/26/76/850422676.db2.gz YQNFLTICDFVIBB-UHFFFAOYSA-N 2 1 367.519 0.489 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N([C@@H]1C[NH2+]C[C@@H]3CCCO[C@H]13)S(C)(=O)=O)C2 ZINC001169129616 850606751 /nfs/dbraw/zinc/60/67/51/850606751.db2.gz KFQPOKUYKFLIJW-NYXISSTPSA-N 2 1 357.520 0.640 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)COCCN(S(C)(=O)=O)C3)C2 ZINC001169133968 850608029 /nfs/dbraw/zinc/60/80/29/850608029.db2.gz ORSXEALJYBSQSO-BJWYYQGGSA-N 2 1 371.547 0.986 20 0 FCADMP CCOC(=O)C1(C)CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001171939076 850700394 /nfs/dbraw/zinc/70/03/94/850700394.db2.gz JSQQCFFAUMIGDU-JZLYGMAVSA-N 2 1 356.467 0.893 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]2C)CC[N@H+]1C ZINC001178731002 850921315 /nfs/dbraw/zinc/92/13/15/850921315.db2.gz JULOTJJPPNZWQT-XQHKEYJVSA-N 2 1 364.412 0.584 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2ccn(C)n2)O1 ZINC001178811415 850933914 /nfs/dbraw/zinc/93/39/14/850933914.db2.gz VAQZWCQDTIBURC-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2ccn(C)n2)O1 ZINC001178811415 850933920 /nfs/dbraw/zinc/93/39/20/850933920.db2.gz VAQZWCQDTIBURC-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001178946457 850940936 /nfs/dbraw/zinc/94/09/36/850940936.db2.gz HSBQMNNMSMXFMC-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001181525898 851117653 /nfs/dbraw/zinc/11/76/53/851117653.db2.gz WFYOFAHFVGXXRN-NPNMTCQASA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001182676506 851190484 /nfs/dbraw/zinc/19/04/84/851190484.db2.gz LWBDPEJLKBPJEC-RBSFLKMASA-N 2 1 357.520 0.342 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857914 851616305 /nfs/dbraw/zinc/61/63/05/851616305.db2.gz UVHACGYZXDXLNM-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857914 851616309 /nfs/dbraw/zinc/61/63/09/851616309.db2.gz UVHACGYZXDXLNM-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857914 851616313 /nfs/dbraw/zinc/61/63/13/851616313.db2.gz UVHACGYZXDXLNM-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857914 851616316 /nfs/dbraw/zinc/61/63/16/851616316.db2.gz UVHACGYZXDXLNM-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134656 851757105 /nfs/dbraw/zinc/75/71/05/851757105.db2.gz BWCCJGIGPGFTTJ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134656 851757113 /nfs/dbraw/zinc/75/71/13/851757113.db2.gz BWCCJGIGPGFTTJ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134656 851757120 /nfs/dbraw/zinc/75/71/20/851757120.db2.gz BWCCJGIGPGFTTJ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134656 851757127 /nfs/dbraw/zinc/75/71/27/851757127.db2.gz BWCCJGIGPGFTTJ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189478380 851793726 /nfs/dbraw/zinc/79/37/26/851793726.db2.gz RAATZNSOICETAF-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189478380 851793733 /nfs/dbraw/zinc/79/37/33/851793733.db2.gz RAATZNSOICETAF-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001189669613 851814361 /nfs/dbraw/zinc/81/43/61/851814361.db2.gz XVFCJRZIKDQAGA-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189669613 851814366 /nfs/dbraw/zinc/81/43/66/851814366.db2.gz XVFCJRZIKDQAGA-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189669613 851814368 /nfs/dbraw/zinc/81/43/68/851814368.db2.gz XVFCJRZIKDQAGA-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001189851715 851830972 /nfs/dbraw/zinc/83/09/72/851830972.db2.gz NZWUOBRDXQLOFZ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189898495 851838931 /nfs/dbraw/zinc/83/89/31/851838931.db2.gz KJRNWENABYILEJ-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189898495 851838937 /nfs/dbraw/zinc/83/89/37/851838937.db2.gz KJRNWENABYILEJ-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189898495 851838940 /nfs/dbraw/zinc/83/89/40/851838940.db2.gz KJRNWENABYILEJ-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189898495 851838943 /nfs/dbraw/zinc/83/89/43/851838943.db2.gz KJRNWENABYILEJ-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906151 851839864 /nfs/dbraw/zinc/83/98/64/851839864.db2.gz CHSDIEWDIFYLNB-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906151 851839871 /nfs/dbraw/zinc/83/98/71/851839871.db2.gz CHSDIEWDIFYLNB-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906151 851839876 /nfs/dbraw/zinc/83/98/76/851839876.db2.gz CHSDIEWDIFYLNB-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176134 851870831 /nfs/dbraw/zinc/87/08/31/851870831.db2.gz CDKWEKWPYPFDTK-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176134 851870835 /nfs/dbraw/zinc/87/08/35/851870835.db2.gz CDKWEKWPYPFDTK-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178007 851871000 /nfs/dbraw/zinc/87/10/00/851871000.db2.gz UCWCVGWLMRKQGA-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325582 851892035 /nfs/dbraw/zinc/89/20/35/851892035.db2.gz ZUJDNKWGLTZITJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC1(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)COC1 ZINC001278473759 862343977 /nfs/dbraw/zinc/34/39/77/862343977.db2.gz AUEVHQPPUQMGOI-LJQANCHMSA-N 2 1 352.523 0.631 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726448 852477027 /nfs/dbraw/zinc/47/70/27/852477027.db2.gz CKNOYGKVYWKABM-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193726448 852477032 /nfs/dbraw/zinc/47/70/32/852477032.db2.gz CKNOYGKVYWKABM-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193726448 852477037 /nfs/dbraw/zinc/47/70/37/852477037.db2.gz CKNOYGKVYWKABM-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193728688 852478053 /nfs/dbraw/zinc/47/80/53/852478053.db2.gz RBRSMRULEDBOJV-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193728688 852478060 /nfs/dbraw/zinc/47/80/60/852478060.db2.gz RBRSMRULEDBOJV-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193728688 852478066 /nfs/dbraw/zinc/47/80/66/852478066.db2.gz RBRSMRULEDBOJV-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001193738107 852479740 /nfs/dbraw/zinc/47/97/40/852479740.db2.gz NFSSSCJYIXXBGL-RRFJBIMHSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001193738107 852479745 /nfs/dbraw/zinc/47/97/45/852479745.db2.gz NFSSSCJYIXXBGL-RRFJBIMHSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193738107 852479748 /nfs/dbraw/zinc/47/97/48/852479748.db2.gz NFSSSCJYIXXBGL-RRFJBIMHSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193738107 852479751 /nfs/dbraw/zinc/47/97/51/852479751.db2.gz NFSSSCJYIXXBGL-RRFJBIMHSA-N 2 1 363.449 0.692 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 ZINC001193755237 852481759 /nfs/dbraw/zinc/48/17/59/852481759.db2.gz JHTFVHHFRQCQCT-BRWVUGGUSA-N 2 1 351.495 0.411 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755237 852481765 /nfs/dbraw/zinc/48/17/65/852481765.db2.gz JHTFVHHFRQCQCT-BRWVUGGUSA-N 2 1 351.495 0.411 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755237 852481769 /nfs/dbraw/zinc/48/17/69/852481769.db2.gz JHTFVHHFRQCQCT-BRWVUGGUSA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)CCC1 ZINC001193765969 852485662 /nfs/dbraw/zinc/48/56/62/852485662.db2.gz LVOMTVMYQXDVFS-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961468 852516816 /nfs/dbraw/zinc/51/68/16/852516816.db2.gz QIDNSJUXORKFOG-FMKPAKJESA-N 2 1 354.520 0.742 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961468 852516822 /nfs/dbraw/zinc/51/68/22/852516822.db2.gz QIDNSJUXORKFOG-FMKPAKJESA-N 2 1 354.520 0.742 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265079 852569534 /nfs/dbraw/zinc/56/95/34/852569534.db2.gz MMWSDDQNHZDPRM-RRFJBIMHSA-N 2 1 356.511 0.133 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001194320956 852578691 /nfs/dbraw/zinc/57/86/91/852578691.db2.gz AWSDLOVUNHGVJT-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001194320956 852578697 /nfs/dbraw/zinc/57/86/97/852578697.db2.gz AWSDLOVUNHGVJT-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001194320956 852578700 /nfs/dbraw/zinc/57/87/00/852578700.db2.gz AWSDLOVUNHGVJT-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001194320956 852578707 /nfs/dbraw/zinc/57/87/07/852578707.db2.gz AWSDLOVUNHGVJT-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320998 852578867 /nfs/dbraw/zinc/57/88/67/852578867.db2.gz CHNJQEZHOZVOAF-DJIMGWMZSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194320998 852578874 /nfs/dbraw/zinc/57/88/74/852578874.db2.gz CHNJQEZHOZVOAF-DJIMGWMZSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194320998 852578880 /nfs/dbraw/zinc/57/88/80/852578880.db2.gz CHNJQEZHOZVOAF-DJIMGWMZSA-N 2 1 355.523 0.962 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982468 852686128 /nfs/dbraw/zinc/68/61/28/852686128.db2.gz LBECAGRRXPJAFE-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982468 852686130 /nfs/dbraw/zinc/68/61/30/852686130.db2.gz LBECAGRRXPJAFE-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)CO[C@H](C)COC)CC2)CC1 ZINC001195258812 852732921 /nfs/dbraw/zinc/73/29/21/852732921.db2.gz RZIRZDHBDNAZOE-IEBWSBKVSA-N 2 1 357.539 0.891 20 0 FCADMP CC(C)(C)OC(=O)Nc1cnc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn1 ZINC001195636265 852802736 /nfs/dbraw/zinc/80/27/36/852802736.db2.gz AUVPQIQSPGFHEF-UHFFFAOYSA-N 2 1 351.411 0.898 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001196168383 852903531 /nfs/dbraw/zinc/90/35/31/852903531.db2.gz JHAAIUBGZJOXQM-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168383 852903538 /nfs/dbraw/zinc/90/35/38/852903538.db2.gz JHAAIUBGZJOXQM-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176331 852905682 /nfs/dbraw/zinc/90/56/82/852905682.db2.gz LOVUTDNIAOSSTB-IIDMSEBBSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196176331 852905688 /nfs/dbraw/zinc/90/56/88/852905688.db2.gz LOVUTDNIAOSSTB-IIDMSEBBSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196176331 852905693 /nfs/dbraw/zinc/90/56/93/852905693.db2.gz LOVUTDNIAOSSTB-IIDMSEBBSA-N 2 1 359.486 0.787 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206798 852913704 /nfs/dbraw/zinc/91/37/04/852913704.db2.gz HJCYAEMPEUUOBM-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206798 852913708 /nfs/dbraw/zinc/91/37/08/852913708.db2.gz HJCYAEMPEUUOBM-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206798 852913724 /nfs/dbraw/zinc/91/37/24/852913724.db2.gz HJCYAEMPEUUOBM-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O)CC(C)(C)C ZINC001196222738 852920394 /nfs/dbraw/zinc/92/03/94/852920394.db2.gz YWIQBJLDVKYNOF-HUUCEWRRSA-N 2 1 354.520 0.825 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O)CC(C)(C)C ZINC001196222738 852920400 /nfs/dbraw/zinc/92/04/00/852920400.db2.gz YWIQBJLDVKYNOF-HUUCEWRRSA-N 2 1 354.520 0.825 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)CC(C)(C)C ZINC001196222738 852920407 /nfs/dbraw/zinc/92/04/07/852920407.db2.gz YWIQBJLDVKYNOF-HUUCEWRRSA-N 2 1 354.520 0.825 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)CC(C)(C)C ZINC001196222738 852920412 /nfs/dbraw/zinc/92/04/12/852920412.db2.gz YWIQBJLDVKYNOF-HUUCEWRRSA-N 2 1 354.520 0.825 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001196308063 852934560 /nfs/dbraw/zinc/93/45/60/852934560.db2.gz VUPRVGFWTXMQBF-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001196308063 852934564 /nfs/dbraw/zinc/93/45/64/852934564.db2.gz VUPRVGFWTXMQBF-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001196953739 853039127 /nfs/dbraw/zinc/03/91/27/853039127.db2.gz IRRYLXPBBZSZEK-IAGOWNOFSA-N 2 1 351.491 0.450 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001196953739 853039137 /nfs/dbraw/zinc/03/91/37/853039137.db2.gz IRRYLXPBBZSZEK-IAGOWNOFSA-N 2 1 351.491 0.450 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197493519 853122837 /nfs/dbraw/zinc/12/28/37/853122837.db2.gz QOLJKTAZQVEVKE-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197493519 853122844 /nfs/dbraw/zinc/12/28/44/853122844.db2.gz QOLJKTAZQVEVKE-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197493519 853122851 /nfs/dbraw/zinc/12/28/51/853122851.db2.gz QOLJKTAZQVEVKE-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197493519 853122857 /nfs/dbraw/zinc/12/28/57/853122857.db2.gz QOLJKTAZQVEVKE-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197781940 853161029 /nfs/dbraw/zinc/16/10/29/853161029.db2.gz BMDAMEHOZBKAEW-IAGOWNOFSA-N 2 1 369.893 0.888 20 0 FCADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197781940 853161032 /nfs/dbraw/zinc/16/10/32/853161032.db2.gz BMDAMEHOZBKAEW-IAGOWNOFSA-N 2 1 369.893 0.888 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197819706 853166666 /nfs/dbraw/zinc/16/66/66/853166666.db2.gz KPKSWFYHHPDIMM-CHWSQXEVSA-N 2 1 365.396 0.213 20 0 FCADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826484 853169263 /nfs/dbraw/zinc/16/92/63/853169263.db2.gz ZBWRRXBAKFOVJU-IAGOWNOFSA-N 2 1 353.438 0.374 20 0 FCADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826484 853169269 /nfs/dbraw/zinc/16/92/69/853169269.db2.gz ZBWRRXBAKFOVJU-IAGOWNOFSA-N 2 1 353.438 0.374 20 0 FCADMP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636241 853505889 /nfs/dbraw/zinc/50/58/89/853505889.db2.gz HRSJXEFCRMUHBO-RHSMWYFYSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001201230287 853521709 /nfs/dbraw/zinc/52/17/09/853521709.db2.gz NUCDFICLRVQODX-KWCYVHTRSA-N 2 1 367.412 0.599 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001201230287 853521715 /nfs/dbraw/zinc/52/17/15/853521715.db2.gz NUCDFICLRVQODX-KWCYVHTRSA-N 2 1 367.412 0.599 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230490 853521723 /nfs/dbraw/zinc/52/17/23/853521723.db2.gz SNGGCBHZRNEGSR-GDBMZVCRSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230490 853521727 /nfs/dbraw/zinc/52/17/27/853521727.db2.gz SNGGCBHZRNEGSR-GDBMZVCRSA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001205518980 853620023 /nfs/dbraw/zinc/62/00/23/853620023.db2.gz QWMCCVPIBBVEFY-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001205518980 853620029 /nfs/dbraw/zinc/62/00/29/853620029.db2.gz QWMCCVPIBBVEFY-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)(C)OC(=O)C[C@H]1C[C@@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)OC(C)(C)O1 ZINC001206455045 853690135 /nfs/dbraw/zinc/69/01/35/853690135.db2.gz IYJHUHGKMYDYFE-LJISPDSOSA-N 2 1 358.479 0.880 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001207007754 853779555 /nfs/dbraw/zinc/77/95/55/853779555.db2.gz QAUOLSWCAFWJRX-OWCLPIDISA-N 2 1 352.479 0.842 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001207007754 853779556 /nfs/dbraw/zinc/77/95/56/853779556.db2.gz QAUOLSWCAFWJRX-OWCLPIDISA-N 2 1 352.479 0.842 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001207263613 853794909 /nfs/dbraw/zinc/79/49/09/853794909.db2.gz XNSNLUOGWFOWMW-RBSFLKMASA-N 2 1 357.474 0.128 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CNC(=O)C[N@@H+]2CC1CC[NH2+]CC1 ZINC001207436268 853813594 /nfs/dbraw/zinc/81/35/94/853813594.db2.gz ZKRQLZKGAZMTBK-SFHVURJKSA-N 2 1 352.479 0.797 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CNC(=O)C[N@H+]2CC1CC[NH2+]CC1 ZINC001207436268 853813596 /nfs/dbraw/zinc/81/35/96/853813596.db2.gz ZKRQLZKGAZMTBK-SFHVURJKSA-N 2 1 352.479 0.797 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](CCC1CC[NH+](C)CC1)C[C@H]2C(=O)N(C)C ZINC001207488536 853818675 /nfs/dbraw/zinc/81/86/75/853818675.db2.gz MNNKRKKFRDOWEE-KRWDZBQOSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207543575 853821869 /nfs/dbraw/zinc/82/18/69/853821869.db2.gz UFFGIMJMIKUBKY-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550977 853823131 /nfs/dbraw/zinc/82/31/31/853823131.db2.gz PTBXMZNXCLLXOK-QBIMZIAESA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550977 853823139 /nfs/dbraw/zinc/82/31/39/853823139.db2.gz PTBXMZNXCLLXOK-QBIMZIAESA-N 2 1 350.507 0.822 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547092 853823785 /nfs/dbraw/zinc/82/37/85/853823785.db2.gz KUQSNTFDPRDNOD-BZUAXINKSA-N 2 1 350.463 0.860 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547092 853823793 /nfs/dbraw/zinc/82/37/93/853823793.db2.gz KUQSNTFDPRDNOD-BZUAXINKSA-N 2 1 350.463 0.860 20 0 FCADMP CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)o1 ZINC001278830472 862507041 /nfs/dbraw/zinc/50/70/41/862507041.db2.gz YICGJFRDVDIWSN-IYBDPMFKSA-N 2 1 351.447 0.789 20 0 FCADMP CC(=O)OCc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)o1 ZINC001278830472 862507053 /nfs/dbraw/zinc/50/70/53/862507053.db2.gz YICGJFRDVDIWSN-IYBDPMFKSA-N 2 1 351.447 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001208070243 853890432 /nfs/dbraw/zinc/89/04/32/853890432.db2.gz HFHRPWDBOVTCOL-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092699 853894259 /nfs/dbraw/zinc/89/42/59/853894259.db2.gz VNLMPDKGQCHSOA-IAGOWNOFSA-N 2 1 355.523 0.944 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114322 853897553 /nfs/dbraw/zinc/89/75/53/853897553.db2.gz OADMOGBBGPOUNA-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208113896 853897653 /nfs/dbraw/zinc/89/76/53/853897653.db2.gz KPAGYNIBOAAVRP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208113896 853897657 /nfs/dbraw/zinc/89/76/57/853897657.db2.gz KPAGYNIBOAAVRP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208409608 853930172 /nfs/dbraw/zinc/93/01/72/853930172.db2.gz JVKDCOKOUQGUAI-FXUDXRNXSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208409608 853930177 /nfs/dbraw/zinc/93/01/77/853930177.db2.gz JVKDCOKOUQGUAI-FXUDXRNXSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001208409608 853930178 /nfs/dbraw/zinc/93/01/78/853930178.db2.gz JVKDCOKOUQGUAI-FXUDXRNXSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001208409608 853930183 /nfs/dbraw/zinc/93/01/83/853930183.db2.gz JVKDCOKOUQGUAI-FXUDXRNXSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415727 853931428 /nfs/dbraw/zinc/93/14/28/853931428.db2.gz RNNIIBXSLZBKMF-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415727 853931429 /nfs/dbraw/zinc/93/14/29/853931429.db2.gz RNNIIBXSLZBKMF-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415727 853931430 /nfs/dbraw/zinc/93/14/30/853931430.db2.gz RNNIIBXSLZBKMF-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415727 853931431 /nfs/dbraw/zinc/93/14/31/853931431.db2.gz RNNIIBXSLZBKMF-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001208601352 853958683 /nfs/dbraw/zinc/95/86/83/853958683.db2.gz YHVGXYSSMHGIOL-SJORKVTESA-N 2 1 358.552 0.778 20 0 FCADMP COC(=O)[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001208714609 853968869 /nfs/dbraw/zinc/96/88/69/853968869.db2.gz LAXGZGCRXFHJPZ-HNNXBMFYSA-N 2 1 355.479 0.298 20 0 FCADMP COC(=O)[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001208714609 853968873 /nfs/dbraw/zinc/96/88/73/853968873.db2.gz LAXGZGCRXFHJPZ-HNNXBMFYSA-N 2 1 355.479 0.298 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCCC3OCCO3)CC[C@@H]2C1 ZINC001209302111 854017507 /nfs/dbraw/zinc/01/75/07/854017507.db2.gz COFHIUMPFYZZDC-HZPDHXFCSA-N 2 1 355.479 0.250 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCCC3OCCO3)CC[C@@H]2C1 ZINC001209302111 854017513 /nfs/dbraw/zinc/01/75/13/854017513.db2.gz COFHIUMPFYZZDC-HZPDHXFCSA-N 2 1 355.479 0.250 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCCC3OCCO3)CC[C@@H]2C1 ZINC001209302111 854017519 /nfs/dbraw/zinc/01/75/19/854017519.db2.gz COFHIUMPFYZZDC-HZPDHXFCSA-N 2 1 355.479 0.250 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209515525 854033884 /nfs/dbraw/zinc/03/38/84/854033884.db2.gz YPHGIKCQGZUXII-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209515525 854033888 /nfs/dbraw/zinc/03/38/88/854033888.db2.gz YPHGIKCQGZUXII-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514787 854034321 /nfs/dbraw/zinc/03/43/21/854034321.db2.gz OSOTYXNZMQSHMQ-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514787 854034326 /nfs/dbraw/zinc/03/43/26/854034326.db2.gz OSOTYXNZMQSHMQ-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001209635699 854042324 /nfs/dbraw/zinc/04/23/24/854042324.db2.gz UYNLJYKTSJZFKC-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001209635699 854042329 /nfs/dbraw/zinc/04/23/29/854042329.db2.gz UYNLJYKTSJZFKC-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001209635750 854042390 /nfs/dbraw/zinc/04/23/90/854042390.db2.gz WVEBSZAUMBJURA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001209635750 854042397 /nfs/dbraw/zinc/04/23/97/854042397.db2.gz WVEBSZAUMBJURA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298267 854097744 /nfs/dbraw/zinc/09/77/44/854097744.db2.gz NGDLMTLFQUHOJJ-OWCLPIDISA-N 2 1 356.511 0.162 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298267 854097751 /nfs/dbraw/zinc/09/77/51/854097751.db2.gz NGDLMTLFQUHOJJ-OWCLPIDISA-N 2 1 356.511 0.162 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314639 854098327 /nfs/dbraw/zinc/09/83/27/854098327.db2.gz BWWQJKFKDZWJDK-OWCLPIDISA-N 2 1 356.511 0.162 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314639 854098335 /nfs/dbraw/zinc/09/83/35/854098335.db2.gz BWWQJKFKDZWJDK-OWCLPIDISA-N 2 1 356.511 0.162 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315238 854099652 /nfs/dbraw/zinc/09/96/52/854099652.db2.gz NEVJWTIXGLQVQF-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315238 854099655 /nfs/dbraw/zinc/09/96/55/854099655.db2.gz NEVJWTIXGLQVQF-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211300340 854175074 /nfs/dbraw/zinc/17/50/74/854175074.db2.gz KGTWOIGTRGLMRQ-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001211370961 854182952 /nfs/dbraw/zinc/18/29/52/854182952.db2.gz FSAZGOCFEYENMQ-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001211370961 854182955 /nfs/dbraw/zinc/18/29/55/854182955.db2.gz FSAZGOCFEYENMQ-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001211370961 854182956 /nfs/dbraw/zinc/18/29/56/854182956.db2.gz FSAZGOCFEYENMQ-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001211370961 854182959 /nfs/dbraw/zinc/18/29/59/854182959.db2.gz FSAZGOCFEYENMQ-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461018 854488535 /nfs/dbraw/zinc/48/85/35/854488535.db2.gz OLNKNLQMHLGAAW-BZUAXINKSA-N 2 1 357.495 0.195 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487357 854499712 /nfs/dbraw/zinc/49/97/12/854499712.db2.gz ZWXUEMFLPHWPRP-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487357 854499715 /nfs/dbraw/zinc/49/97/15/854499715.db2.gz ZWXUEMFLPHWPRP-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487357 854499717 /nfs/dbraw/zinc/49/97/17/854499717.db2.gz ZWXUEMFLPHWPRP-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487357 854499719 /nfs/dbraw/zinc/49/97/19/854499719.db2.gz ZWXUEMFLPHWPRP-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348841 854584869 /nfs/dbraw/zinc/58/48/69/854584869.db2.gz WWUMBXCDJXMSLU-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455432 854624441 /nfs/dbraw/zinc/62/44/41/854624441.db2.gz ASMOYPUVEONOFP-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455433 854624515 /nfs/dbraw/zinc/62/45/15/854624515.db2.gz ASMOYPUVEONOFP-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001213502352 854642096 /nfs/dbraw/zinc/64/20/96/854642096.db2.gz CUVJVUXMCUDGIT-BZUAXINKSA-N 2 1 352.479 0.983 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001213502352 854642097 /nfs/dbraw/zinc/64/20/97/854642097.db2.gz CUVJVUXMCUDGIT-BZUAXINKSA-N 2 1 352.479 0.983 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001213523782 854652073 /nfs/dbraw/zinc/65/20/73/854652073.db2.gz XQINIMNZVPMIMT-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001213523782 854652079 /nfs/dbraw/zinc/65/20/79/854652079.db2.gz XQINIMNZVPMIMT-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213599206 854680709 /nfs/dbraw/zinc/68/07/09/854680709.db2.gz WPNPKZJVFOWVNW-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213769392 854759981 /nfs/dbraw/zinc/75/99/81/854759981.db2.gz SULLRWZGUUYUMQ-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213769392 854759985 /nfs/dbraw/zinc/75/99/85/854759985.db2.gz SULLRWZGUUYUMQ-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213769392 854759990 /nfs/dbraw/zinc/75/99/90/854759990.db2.gz SULLRWZGUUYUMQ-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868496 854799609 /nfs/dbraw/zinc/79/96/09/854799609.db2.gz XWTWWARRNMHGCK-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001214335714 854927172 /nfs/dbraw/zinc/92/71/72/854927172.db2.gz GTHFFBYCSJRPKS-BMFZPTHFSA-N 2 1 364.515 0.895 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388634 854938135 /nfs/dbraw/zinc/93/81/35/854938135.db2.gz FJNGJGNECKCWEE-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388634 854938136 /nfs/dbraw/zinc/93/81/36/854938136.db2.gz FJNGJGNECKCWEE-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214597435 854975861 /nfs/dbraw/zinc/97/58/61/854975861.db2.gz JLOAOLYSXGIYGT-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214664183 854989310 /nfs/dbraw/zinc/98/93/10/854989310.db2.gz PAOVXIGENFSLCV-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214850043 855023066 /nfs/dbraw/zinc/02/30/66/855023066.db2.gz OKKRRKGQJPOSNJ-ZACQAIPSSA-N 2 1 351.495 0.675 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214850042 855023277 /nfs/dbraw/zinc/02/32/77/855023277.db2.gz OKKRRKGQJPOSNJ-BRWVUGGUSA-N 2 1 351.495 0.675 20 0 FCADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214863904 855025817 /nfs/dbraw/zinc/02/58/17/855025817.db2.gz ZVAFQWQEYAVLRN-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214968750 855041942 /nfs/dbraw/zinc/04/19/42/855041942.db2.gz ALUIRDSAZPPJMC-JHJVBQTASA-N 2 1 366.491 0.397 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969407 855042310 /nfs/dbraw/zinc/04/23/10/855042310.db2.gz QINARDJHQCEGPP-OAGGEKHMSA-N 2 1 353.511 0.615 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001214997400 855049717 /nfs/dbraw/zinc/04/97/17/855049717.db2.gz IBNJTRIWNFQHNM-ZIAGYGMSSA-N 2 1 351.499 0.750 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214997400 855049724 /nfs/dbraw/zinc/04/97/24/855049724.db2.gz IBNJTRIWNFQHNM-ZIAGYGMSSA-N 2 1 351.499 0.750 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]CCOCCO ZINC001215162496 855075494 /nfs/dbraw/zinc/07/54/94/855075494.db2.gz SGPVYACABPLOCT-GDBMZVCRSA-N 2 1 350.463 0.207 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392874 855108417 /nfs/dbraw/zinc/10/84/17/855108417.db2.gz FWOTVXYGWIIXQA-OAGGEKHMSA-N 2 1 354.495 0.057 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392874 855108420 /nfs/dbraw/zinc/10/84/20/855108420.db2.gz FWOTVXYGWIIXQA-OAGGEKHMSA-N 2 1 354.495 0.057 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215397096 855110034 /nfs/dbraw/zinc/11/00/34/855110034.db2.gz SRPMRQZEQMIOGV-FXUDXRNXSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215544296 855127027 /nfs/dbraw/zinc/12/70/27/855127027.db2.gz OAWJISNBAJVSKG-ZMSDIMECSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215933995 855157665 /nfs/dbraw/zinc/15/76/65/855157665.db2.gz AUFNIUVBCTWRJS-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216225517 855180369 /nfs/dbraw/zinc/18/03/69/855180369.db2.gz FTNRZADZSPKJRD-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216503900 855208510 /nfs/dbraw/zinc/20/85/10/855208510.db2.gz YZTDTJVUPKXIRP-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752154 855231349 /nfs/dbraw/zinc/23/13/49/855231349.db2.gz HPJDUVNHPWWXSV-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216851557 855259126 /nfs/dbraw/zinc/25/91/26/855259126.db2.gz AAZYBJDZYUMTNC-VXGBXAGGSA-N 2 1 354.480 0.253 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216852378 855260271 /nfs/dbraw/zinc/26/02/71/855260271.db2.gz XBISDGZVRCPZDY-CHWSQXEVSA-N 2 1 366.428 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnc([C@@H](N)CN3CCC([NH3+])CC3)o2)C[C@H](C)O1 ZINC001217757389 855373141 /nfs/dbraw/zinc/37/31/41/855373141.db2.gz LHEZJASPSVGFHF-GUTXKFCHSA-N 2 1 352.483 0.144 20 0 FCADMP C[C@@H]1C[N@H+](CCc2nnc([C@@H](N)CN3CCC([NH3+])CC3)o2)C[C@H](C)O1 ZINC001217757389 855373144 /nfs/dbraw/zinc/37/31/44/855373144.db2.gz LHEZJASPSVGFHF-GUTXKFCHSA-N 2 1 352.483 0.144 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]21 ZINC001218116787 855399466 /nfs/dbraw/zinc/39/94/66/855399466.db2.gz RSLPTTRSDBMCFS-QXEWZRGKSA-N 2 1 352.391 0.061 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CCO[C@@]12CC[NH2+]C2 ZINC001218135127 855399940 /nfs/dbraw/zinc/39/99/40/855399940.db2.gz KOXQYIVLYYJTAS-XXFAHNHDSA-N 2 1 352.391 0.062 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218163227 855403705 /nfs/dbraw/zinc/40/37/05/855403705.db2.gz ZJXWRWGBDZGDFB-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218163227 855403708 /nfs/dbraw/zinc/40/37/08/855403708.db2.gz ZJXWRWGBDZGDFB-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218163227 855403711 /nfs/dbraw/zinc/40/37/11/855403711.db2.gz ZJXWRWGBDZGDFB-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218163227 855403713 /nfs/dbraw/zinc/40/37/13/855403713.db2.gz ZJXWRWGBDZGDFB-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@@H]32)CC1 ZINC001218550548 855437521 /nfs/dbraw/zinc/43/75/21/855437521.db2.gz DTCFOHOKAKTFPI-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@@H]32)CC1 ZINC001218550618 855437791 /nfs/dbraw/zinc/43/77/91/855437791.db2.gz GZUBWQNBIOJCON-YESZJQIVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H](COCC(=O)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21)[NH+]1CCCC1 ZINC001218651108 855458300 /nfs/dbraw/zinc/45/83/00/855458300.db2.gz UJEJATFCYOQWRE-IXDOHACOSA-N 2 1 357.470 0.759 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845189 855485631 /nfs/dbraw/zinc/48/56/31/855485631.db2.gz YXUHJPGGAPWKKV-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845189 855485634 /nfs/dbraw/zinc/48/56/34/855485634.db2.gz YXUHJPGGAPWKKV-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043492 855524357 /nfs/dbraw/zinc/52/43/57/855524357.db2.gz AFZGGWGUGWJDKN-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043492 855524359 /nfs/dbraw/zinc/52/43/59/855524359.db2.gz AFZGGWGUGWJDKN-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219043492 855524364 /nfs/dbraw/zinc/52/43/64/855524364.db2.gz AFZGGWGUGWJDKN-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219043492 855524369 /nfs/dbraw/zinc/52/43/69/855524369.db2.gz AFZGGWGUGWJDKN-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CCc1cc(S(C)(=O)=O)ccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219174315 855573255 /nfs/dbraw/zinc/57/32/55/855573255.db2.gz FXKZHDYHESTYCM-OAHLLOKOSA-N 2 1 368.503 0.341 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802034 855820298 /nfs/dbraw/zinc/82/02/98/855820298.db2.gz DXOKPRVOKLJGQS-KGLIPLIRSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802034 855820302 /nfs/dbraw/zinc/82/03/02/855820302.db2.gz DXOKPRVOKLJGQS-KGLIPLIRSA-N 2 1 352.504 0.640 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001219846993 855843119 /nfs/dbraw/zinc/84/31/19/855843119.db2.gz NUJQVKYMWXWQNB-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877553 855857879 /nfs/dbraw/zinc/85/78/79/855857879.db2.gz KYBNYAOXQUKZTN-DJAVDHGHSA-N 2 1 353.507 0.862 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903361 855872561 /nfs/dbraw/zinc/87/25/61/855872561.db2.gz YXKNOQWJLPKDJA-UTUOFQBUSA-N 2 1 355.401 0.191 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903361 855872566 /nfs/dbraw/zinc/87/25/66/855872566.db2.gz YXKNOQWJLPKDJA-UTUOFQBUSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903361 855872570 /nfs/dbraw/zinc/87/25/70/855872570.db2.gz YXKNOQWJLPKDJA-UTUOFQBUSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903361 855872573 /nfs/dbraw/zinc/87/25/73/855872573.db2.gz YXKNOQWJLPKDJA-UTUOFQBUSA-N 2 1 355.401 0.191 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219938764 855888798 /nfs/dbraw/zinc/88/87/98/855888798.db2.gz CWKLOTWUBYVFKC-VQIMIIECSA-N 3 1 350.507 0.337 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062274 855940920 /nfs/dbraw/zinc/94/09/20/855940920.db2.gz SOWMCYMOWJIRPY-JKSUJKDBSA-N 2 1 371.547 0.782 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)COC1(C)C ZINC001220064031 855941535 /nfs/dbraw/zinc/94/15/35/855941535.db2.gz NTZIOSKSEYCCDU-ILXRZTDVSA-N 2 1 354.495 0.678 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)CCCC1 ZINC001220077963 855948937 /nfs/dbraw/zinc/94/89/37/855948937.db2.gz CRWDXLVYDINURT-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209617 856009115 /nfs/dbraw/zinc/00/91/15/856009115.db2.gz XUKIDDCGTPNQFR-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209617 856009124 /nfs/dbraw/zinc/00/91/24/856009124.db2.gz XUKIDDCGTPNQFR-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209617 856009130 /nfs/dbraw/zinc/00/91/30/856009130.db2.gz XUKIDDCGTPNQFR-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216469 856014762 /nfs/dbraw/zinc/01/47/62/856014762.db2.gz LESNPAQDVQNRQK-IXDOHACOSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216469 856014769 /nfs/dbraw/zinc/01/47/69/856014769.db2.gz LESNPAQDVQNRQK-IXDOHACOSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216469 856014779 /nfs/dbraw/zinc/01/47/79/856014779.db2.gz LESNPAQDVQNRQK-IXDOHACOSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216469 856014790 /nfs/dbraw/zinc/01/47/90/856014790.db2.gz LESNPAQDVQNRQK-IXDOHACOSA-N 2 1 357.495 0.072 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220234187 856025033 /nfs/dbraw/zinc/02/50/33/856025033.db2.gz XZYWBQVTNRWCPT-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220306243 856055034 /nfs/dbraw/zinc/05/50/34/856055034.db2.gz GDUPKWPTFASRBB-HNNXBMFYSA-N 2 1 356.511 0.579 20 0 FCADMP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220315702 856061657 /nfs/dbraw/zinc/06/16/57/856061657.db2.gz HFKNJKZMRPNDBW-TXPKVOOTSA-N 3 1 350.507 0.478 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355242 856080479 /nfs/dbraw/zinc/08/04/79/856080479.db2.gz JHAAIUBGZJOXQM-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355242 856080482 /nfs/dbraw/zinc/08/04/82/856080482.db2.gz JHAAIUBGZJOXQM-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369918 856089738 /nfs/dbraw/zinc/08/97/38/856089738.db2.gz XUWFAELLRPCBEP-IKGGRYGDSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369918 856089745 /nfs/dbraw/zinc/08/97/45/856089745.db2.gz XUWFAELLRPCBEP-IKGGRYGDSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369918 856089751 /nfs/dbraw/zinc/08/97/51/856089751.db2.gz XUWFAELLRPCBEP-IKGGRYGDSA-N 2 1 355.523 0.941 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444393 856128602 /nfs/dbraw/zinc/12/86/02/856128602.db2.gz UQRLQIHTXFWYOF-CVEARBPZSA-N 2 1 352.479 0.985 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444393 856128607 /nfs/dbraw/zinc/12/86/07/856128607.db2.gz UQRLQIHTXFWYOF-CVEARBPZSA-N 2 1 352.479 0.985 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476534 856145180 /nfs/dbraw/zinc/14/51/80/856145180.db2.gz LOEUVKJAKDVRSH-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476534 856145186 /nfs/dbraw/zinc/14/51/86/856145186.db2.gz LOEUVKJAKDVRSH-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CC1CC(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220547918 856178270 /nfs/dbraw/zinc/17/82/70/856178270.db2.gz NHNDWUCYGBWIRS-HIEASXQVSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001220547918 856178277 /nfs/dbraw/zinc/17/82/77/856178277.db2.gz NHNDWUCYGBWIRS-HIEASXQVSA-N 2 1 353.507 0.696 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O)C(C)C ZINC001220572697 856189818 /nfs/dbraw/zinc/18/98/18/856189818.db2.gz GULRWFMXFCIVJD-IKGGRYGDSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O)C(C)C ZINC001220572697 856189826 /nfs/dbraw/zinc/18/98/26/856189826.db2.gz GULRWFMXFCIVJD-IKGGRYGDSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)C(C)C ZINC001220572703 856190000 /nfs/dbraw/zinc/19/00/00/856190000.db2.gz GXYCLPHCANMQHA-YCPHGPKFSA-N 2 1 365.465 0.796 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)C(C)C ZINC001220572703 856190009 /nfs/dbraw/zinc/19/00/09/856190009.db2.gz GXYCLPHCANMQHA-YCPHGPKFSA-N 2 1 365.465 0.796 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220574469 856190867 /nfs/dbraw/zinc/19/08/67/856190867.db2.gz CDPOAEYNGMZZJY-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220574469 856190870 /nfs/dbraw/zinc/19/08/70/856190870.db2.gz CDPOAEYNGMZZJY-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH]cn1)c1ccc(Br)cc1 ZINC001220605717 856203645 /nfs/dbraw/zinc/20/36/45/856203645.db2.gz WLXGYSPTUZOLOF-OLZOCXBDSA-N 2 1 352.236 0.858 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771748 856290420 /nfs/dbraw/zinc/29/04/20/856290420.db2.gz DNMOJYYFEZUKQU-WBVHZDCISA-N 2 1 350.463 0.739 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771748 856290429 /nfs/dbraw/zinc/29/04/29/856290429.db2.gz DNMOJYYFEZUKQU-WBVHZDCISA-N 2 1 350.463 0.739 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1O ZINC001220768659 856290699 /nfs/dbraw/zinc/29/06/99/856290699.db2.gz XEHQITDOJBQNNE-CVEARBPZSA-N 2 1 355.504 0.420 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220806923 856310734 /nfs/dbraw/zinc/31/07/34/856310734.db2.gz MKPIOGUZIKTTFK-SQNIBIBYSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@@H]1O ZINC001220826171 856326542 /nfs/dbraw/zinc/32/65/42/856326542.db2.gz QLGPUSXLQJJCIQ-CABCVRRESA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O ZINC001220826171 856326551 /nfs/dbraw/zinc/32/65/51/856326551.db2.gz QLGPUSXLQJJCIQ-CABCVRRESA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@@H]1O ZINC001220826171 856326564 /nfs/dbraw/zinc/32/65/64/856326564.db2.gz QLGPUSXLQJJCIQ-CABCVRRESA-N 2 1 354.520 0.887 20 0 FCADMP CN(C)C(=O)CN1CCC[C@]2(CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001279247114 862788940 /nfs/dbraw/zinc/78/89/40/862788940.db2.gz QVDVALNSOSVLLQ-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001221049791 856435896 /nfs/dbraw/zinc/43/58/96/856435896.db2.gz FIALOFTWQOPOKE-OAHLLOKOSA-N 2 1 358.483 0.234 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001221049791 856435903 /nfs/dbraw/zinc/43/59/03/856435903.db2.gz FIALOFTWQOPOKE-OAHLLOKOSA-N 2 1 358.483 0.234 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC001221049791 856435908 /nfs/dbraw/zinc/43/59/08/856435908.db2.gz FIALOFTWQOPOKE-OAHLLOKOSA-N 2 1 358.483 0.234 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC001221049791 856435912 /nfs/dbraw/zinc/43/59/12/856435912.db2.gz FIALOFTWQOPOKE-OAHLLOKOSA-N 2 1 358.483 0.234 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221073535 856449702 /nfs/dbraw/zinc/44/97/02/856449702.db2.gz ZTDTZSGXTYCXOY-KSZLIROESA-N 2 1 353.507 0.983 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2O)o1 ZINC001221150432 856485853 /nfs/dbraw/zinc/48/58/53/856485853.db2.gz YXTYJKISQBOUIJ-CVEARBPZSA-N 2 1 353.463 0.933 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001221158433 856490155 /nfs/dbraw/zinc/49/01/55/856490155.db2.gz FMGPHZDWFFVBLQ-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406586 856559454 /nfs/dbraw/zinc/55/94/54/856559454.db2.gz HDFNBNVUVDQVMH-BZUAXINKSA-N 2 1 371.547 0.636 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccc(Cl)cc1 ZINC001221414999 856560003 /nfs/dbraw/zinc/56/00/03/856560003.db2.gz ZXGXYZSEZHBENU-JYJNAYRXSA-N 2 1 354.882 0.622 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@@H]([NH3+])COC(C)=O)c1ccc(Cl)cc1 ZINC001221413152 856560402 /nfs/dbraw/zinc/56/04/02/856560402.db2.gz OIBFNEFZSWATQO-JKSUJKDBSA-N 2 1 371.865 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221776906 856678372 /nfs/dbraw/zinc/67/83/72/856678372.db2.gz JSPPEMKLDOMPHZ-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221776906 856678377 /nfs/dbraw/zinc/67/83/77/856678377.db2.gz JSPPEMKLDOMPHZ-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221777222 856678823 /nfs/dbraw/zinc/67/88/23/856678823.db2.gz YPYIXONWISYTEP-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221777222 856678830 /nfs/dbraw/zinc/67/88/30/856678830.db2.gz YPYIXONWISYTEP-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221876596 856720085 /nfs/dbraw/zinc/72/00/85/856720085.db2.gz KJDMZEMWNWUICN-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221876596 856720094 /nfs/dbraw/zinc/72/00/94/856720094.db2.gz KJDMZEMWNWUICN-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221876596 856720104 /nfs/dbraw/zinc/72/01/04/856720104.db2.gz KJDMZEMWNWUICN-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221876596 856720109 /nfs/dbraw/zinc/72/01/09/856720109.db2.gz KJDMZEMWNWUICN-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920672 856734669 /nfs/dbraw/zinc/73/46/69/856734669.db2.gz QHAFHNYLPTZBPC-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920672 856734671 /nfs/dbraw/zinc/73/46/71/856734671.db2.gz QHAFHNYLPTZBPC-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221920672 856734674 /nfs/dbraw/zinc/73/46/74/856734674.db2.gz QHAFHNYLPTZBPC-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CO[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001221950779 856746002 /nfs/dbraw/zinc/74/60/02/856746002.db2.gz XVOZTEBXCXPKCN-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221968484 856751820 /nfs/dbraw/zinc/75/18/20/856751820.db2.gz PYBUJYWMPRCODD-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221968484 856751828 /nfs/dbraw/zinc/75/18/28/856751828.db2.gz PYBUJYWMPRCODD-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221968484 856751835 /nfs/dbraw/zinc/75/18/35/856751835.db2.gz PYBUJYWMPRCODD-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221968484 856751841 /nfs/dbraw/zinc/75/18/41/856751841.db2.gz PYBUJYWMPRCODD-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968933 856752459 /nfs/dbraw/zinc/75/24/59/856752459.db2.gz HXJKDFATCVUAMC-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968933 856752468 /nfs/dbraw/zinc/75/24/68/856752468.db2.gz HXJKDFATCVUAMC-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968933 856752474 /nfs/dbraw/zinc/75/24/74/856752474.db2.gz HXJKDFATCVUAMC-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968933 856752479 /nfs/dbraw/zinc/75/24/79/856752479.db2.gz HXJKDFATCVUAMC-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222716343 856867132 /nfs/dbraw/zinc/86/71/32/856867132.db2.gz XNGBUHAWQHBBCM-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222716343 856867134 /nfs/dbraw/zinc/86/71/34/856867134.db2.gz XNGBUHAWQHBBCM-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222716343 856867137 /nfs/dbraw/zinc/86/71/37/856867137.db2.gz XNGBUHAWQHBBCM-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222897320 856881469 /nfs/dbraw/zinc/88/14/69/856881469.db2.gz AAWNKMNHTRVKKF-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001222897320 856881470 /nfs/dbraw/zinc/88/14/70/856881470.db2.gz AAWNKMNHTRVKKF-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001222897320 856881471 /nfs/dbraw/zinc/88/14/71/856881471.db2.gz AAWNKMNHTRVKKF-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430565 856915046 /nfs/dbraw/zinc/91/50/46/856915046.db2.gz MVPNKTUFNZZPMF-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001223431397 856917389 /nfs/dbraw/zinc/91/73/89/856917389.db2.gz ZEPBEVDONOMDHO-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001223431397 856917393 /nfs/dbraw/zinc/91/73/93/856917393.db2.gz ZEPBEVDONOMDHO-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430871 856917461 /nfs/dbraw/zinc/91/74/61/856917461.db2.gz QVNNKKZOLUXVNG-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223721376 856939259 /nfs/dbraw/zinc/93/92/59/856939259.db2.gz IIUNMYLYRVCDKC-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223721376 856939263 /nfs/dbraw/zinc/93/92/63/856939263.db2.gz IIUNMYLYRVCDKC-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP Cc1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916414 856950341 /nfs/dbraw/zinc/95/03/41/856950341.db2.gz HDFODUNJGQQTDS-WBVHZDCISA-N 2 1 350.463 0.984 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CCOCC3CC3)[C@H]2C1 ZINC001223916913 856950446 /nfs/dbraw/zinc/95/04/46/856950446.db2.gz SONPYCIHMLWQFN-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129597 856962411 /nfs/dbraw/zinc/96/24/11/856962411.db2.gz IPOCDIGHANKBHI-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001224227347 856970152 /nfs/dbraw/zinc/97/01/52/856970152.db2.gz IHJDEZXRWBTHRM-MSOLQXFVSA-N 2 1 353.507 0.794 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001224222604 856970791 /nfs/dbraw/zinc/97/07/91/856970791.db2.gz QHRKUSBTHHDAGH-MSOLQXFVSA-N 2 1 353.507 0.794 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001225525497 857047401 /nfs/dbraw/zinc/04/74/01/857047401.db2.gz RFNGGELYBZMRIP-RBSFLKMASA-N 2 1 354.495 0.249 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001225525497 857047413 /nfs/dbraw/zinc/04/74/13/857047413.db2.gz RFNGGELYBZMRIP-RBSFLKMASA-N 2 1 354.495 0.249 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215452 857315067 /nfs/dbraw/zinc/31/50/67/857315067.db2.gz OJHIEMVSXFLBBN-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215452 857315071 /nfs/dbraw/zinc/31/50/71/857315071.db2.gz OJHIEMVSXFLBBN-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH+](CCO)Cc2cccnc2)O1 ZINC001230783418 857347951 /nfs/dbraw/zinc/34/79/51/857347951.db2.gz IJFHCTZSNQJTRK-NVXWUHKLSA-N 2 1 350.463 0.101 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH+](CCO)Cc2cccnc2)O1 ZINC001230783418 857347957 /nfs/dbraw/zinc/34/79/57/857347957.db2.gz IJFHCTZSNQJTRK-NVXWUHKLSA-N 2 1 350.463 0.101 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC[N@H+](CCO)Cc2cccnc2)O1 ZINC001230783418 857347969 /nfs/dbraw/zinc/34/79/69/857347969.db2.gz IJFHCTZSNQJTRK-NVXWUHKLSA-N 2 1 350.463 0.101 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC[N@@H+](CCO)Cc2cccnc2)O1 ZINC001230783418 857347979 /nfs/dbraw/zinc/34/79/79/857347979.db2.gz IJFHCTZSNQJTRK-NVXWUHKLSA-N 2 1 350.463 0.101 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236201540 857436889 /nfs/dbraw/zinc/43/68/89/857436889.db2.gz MGXABDDCEVWFPP-YOEHRIQHSA-N 2 1 350.438 0.652 20 0 FCADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055940 857566928 /nfs/dbraw/zinc/56/69/28/857566928.db2.gz MYFQAELZRANBNU-MOPGFXCFSA-N 2 1 358.571 0.665 20 0 FCADMP O=C([C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246133628 857568931 /nfs/dbraw/zinc/56/89/31/857568931.db2.gz KUNYZOWSJSHLRW-KFWWJZLASA-N 2 1 354.520 0.141 20 0 FCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246523811 857583606 /nfs/dbraw/zinc/58/36/06/857583606.db2.gz MLSSNSCXIFVNML-XGUBFFRZSA-N 2 1 358.552 0.854 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606388 857585851 /nfs/dbraw/zinc/58/58/51/857585851.db2.gz FGFQNROINHWLMI-KKUMJFAQSA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606388 857585857 /nfs/dbraw/zinc/58/58/57/857585857.db2.gz FGFQNROINHWLMI-KKUMJFAQSA-N 2 1 353.463 0.287 20 0 FCADMP COC(=O)C1C[C@@H]2CC(N3CCNC[C@]4(CCCC[NH2+]4)C3)C[C@H](C1)[NH2+]2 ZINC001246636408 857587534 /nfs/dbraw/zinc/58/75/34/857587534.db2.gz VOCKSRCVANMTBL-NEJPUZRRSA-N 2 1 350.507 0.476 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246652389 857588210 /nfs/dbraw/zinc/58/82/10/857588210.db2.gz OMSVITTUWXQTKY-SUNYJGFJSA-N 2 1 352.479 0.003 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697122 857590941 /nfs/dbraw/zinc/59/09/41/857590941.db2.gz UBZKASKKBIFBKO-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709499 857591707 /nfs/dbraw/zinc/59/17/07/857591707.db2.gz OTROUFKSZUSRJV-XBKGKQEASA-N 2 1 351.491 0.902 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246721433 857593187 /nfs/dbraw/zinc/59/31/87/857593187.db2.gz NGJKNGBDAMXXJA-VUHPKUFZSA-N 2 1 351.491 0.570 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246721433 857593196 /nfs/dbraw/zinc/59/31/96/857593196.db2.gz NGJKNGBDAMXXJA-VUHPKUFZSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772655 857599921 /nfs/dbraw/zinc/59/99/21/857599921.db2.gz FCPUWODDALMWDC-VXNCWWDNSA-N 2 1 351.491 0.857 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3CCC(S(C)(=O)=O)CC3)C[C@H]1C2 ZINC001246859058 857603300 /nfs/dbraw/zinc/60/33/00/857603300.db2.gz NORKVMDQTCBECD-BYKDUITMSA-N 2 1 370.515 0.673 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCN[C@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859605 857603329 /nfs/dbraw/zinc/60/33/29/857603329.db2.gz PVGVHULFGOCEGZ-RHICEVKNSA-N 2 1 361.408 1.000 20 0 FCADMP CCOC(=O)[C@]12C[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@H]1C[NH2+]CC2 ZINC001246855742 857603471 /nfs/dbraw/zinc/60/34/71/857603471.db2.gz BMSKHTLQNNXNHF-JVGQSUMCSA-N 3 1 351.491 0.762 20 0 FCADMP CCOC(=O)[C@]12C[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@H]1CNCC2 ZINC001246855742 857603475 /nfs/dbraw/zinc/60/34/75/857603475.db2.gz BMSKHTLQNNXNHF-JVGQSUMCSA-N 2 1 351.491 0.762 20 0 FCADMP CCOC(=O)[C@]12C[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@H]1CNCC2 ZINC001246855742 857603480 /nfs/dbraw/zinc/60/34/80/857603480.db2.gz BMSKHTLQNNXNHF-JVGQSUMCSA-N 2 1 351.491 0.762 20 0 FCADMP COC(=O)N1CCC([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246855881 857603525 /nfs/dbraw/zinc/60/35/25/857603525.db2.gz CEQITTQXPUBBHO-PXMRGAAZSA-N 2 1 351.447 0.548 20 0 FCADMP CS(=O)(=O)c1cccc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246970509 857607623 /nfs/dbraw/zinc/60/76/23/857607623.db2.gz ZYUZHXILJSDFNI-MRXNPFEDSA-N 2 1 364.515 0.306 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CC[C@@H]([NH3+])C4)CC3)C[C@H](C1)N2 ZINC001246968527 857607828 /nfs/dbraw/zinc/60/78/28/857607828.db2.gz QNDFHJXJCZIBCX-YLADIXGZSA-N 2 1 350.507 0.556 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C(=O)OCC)C2)CCC12C[NH2+]C2 ZINC001247004951 857608545 /nfs/dbraw/zinc/60/85/45/857608545.db2.gz DWAQCMXNBRETQN-KFWWJZLASA-N 2 1 353.463 0.145 20 0 FCADMP CC(C)c1ccc(OC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO)cc1 ZINC001250768508 857660488 /nfs/dbraw/zinc/66/04/88/857660488.db2.gz GBXIHBAYYHVFKJ-SFHVURJKSA-N 2 1 354.491 0.816 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251405838 857722254 /nfs/dbraw/zinc/72/22/54/857722254.db2.gz PXMZNBLSWOKUAY-SFHVURJKSA-N 2 1 356.511 0.538 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001253181166 857869381 /nfs/dbraw/zinc/86/93/81/857869381.db2.gz BCLWKAHXVGSJPY-BRSBDYLESA-N 2 1 353.507 0.695 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001253181166 857869389 /nfs/dbraw/zinc/86/93/89/857869389.db2.gz BCLWKAHXVGSJPY-BRSBDYLESA-N 2 1 353.507 0.695 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253202486 857871476 /nfs/dbraw/zinc/87/14/76/857871476.db2.gz IWWJYXJPSDETNR-LVQVYYBASA-N 2 1 357.495 0.913 20 0 FCADMP CCN1CC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)[C@H](COC)C1=O ZINC001253389914 857885144 /nfs/dbraw/zinc/88/51/44/857885144.db2.gz FJNWMJMLEVABDP-HZPDHXFCSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001253390109 857885258 /nfs/dbraw/zinc/88/52/58/857885258.db2.gz ITRSZFDHTGBUDT-GPMSIDNRSA-N 2 1 353.507 0.743 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451270 857888668 /nfs/dbraw/zinc/88/86/68/857888668.db2.gz BDAKHIXXBIYUSB-QZWWFDLISA-N 2 1 351.495 0.849 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451270 857888670 /nfs/dbraw/zinc/88/86/70/857888670.db2.gz BDAKHIXXBIYUSB-QZWWFDLISA-N 2 1 351.495 0.849 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451270 857888675 /nfs/dbraw/zinc/88/86/75/857888675.db2.gz BDAKHIXXBIYUSB-QZWWFDLISA-N 2 1 351.495 0.849 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451270 857888679 /nfs/dbraw/zinc/88/86/79/857888679.db2.gz BDAKHIXXBIYUSB-QZWWFDLISA-N 2 1 351.495 0.849 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001253795797 857912606 /nfs/dbraw/zinc/91/26/06/857912606.db2.gz VRQVWIRCQDFHFK-LNLFQRSKSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001253795797 857912618 /nfs/dbraw/zinc/91/26/18/857912618.db2.gz VRQVWIRCQDFHFK-LNLFQRSKSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001253795797 857912621 /nfs/dbraw/zinc/91/26/21/857912621.db2.gz VRQVWIRCQDFHFK-LNLFQRSKSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001253795797 857912633 /nfs/dbraw/zinc/91/26/33/857912633.db2.gz VRQVWIRCQDFHFK-LNLFQRSKSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001253795593 857913297 /nfs/dbraw/zinc/91/32/97/857913297.db2.gz RCMBIMCYWFKVDH-ZIFCJYIRSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001253795593 857913302 /nfs/dbraw/zinc/91/33/02/857913302.db2.gz RCMBIMCYWFKVDH-ZIFCJYIRSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253795593 857913307 /nfs/dbraw/zinc/91/33/07/857913307.db2.gz RCMBIMCYWFKVDH-ZIFCJYIRSA-N 2 1 354.491 0.981 20 0 FCADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253795593 857913312 /nfs/dbraw/zinc/91/33/12/857913312.db2.gz RCMBIMCYWFKVDH-ZIFCJYIRSA-N 2 1 354.491 0.981 20 0 FCADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1 ZINC001254519907 857977348 /nfs/dbraw/zinc/97/73/48/857977348.db2.gz BILLJKBJZGJHAV-MRXNPFEDSA-N 2 1 359.536 0.845 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](CC(C)(C)N1CCOCC1)CC2 ZINC001279593832 862972053 /nfs/dbraw/zinc/97/20/53/862972053.db2.gz JYUAUNLYPCYJAF-UHFFFAOYSA-N 2 1 352.523 0.583 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255589122 858023020 /nfs/dbraw/zinc/02/30/20/858023020.db2.gz URSNDUWOPWOLFM-RYUDHWBXSA-N 2 1 357.455 0.390 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)CC1 ZINC001279609762 862977717 /nfs/dbraw/zinc/97/77/17/862977717.db2.gz WDIIAGXKCVLKSV-KBPBESRZSA-N 2 1 364.412 0.985 20 0 FCADMP CC[NH+](CC)CC[C@H](C)NCCOCCOCCOCCOCC[NH3+] ZINC001255951281 858042840 /nfs/dbraw/zinc/04/28/40/858042840.db2.gz PJNPCRXIVLHZNO-SFHVURJKSA-N 2 1 363.543 0.722 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255975369 858043590 /nfs/dbraw/zinc/04/35/90/858043590.db2.gz OUEVSGNYDMDRAV-UHFFFAOYSA-N 2 1 350.385 0.293 20 0 FCADMP O=C(Cn1cc(Cl)cn1)N1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001279614608 862979354 /nfs/dbraw/zinc/97/93/54/862979354.db2.gz ALWJZCVCZMMLGP-CVEARBPZSA-N 2 1 367.881 0.448 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279614738 862979425 /nfs/dbraw/zinc/97/94/25/862979425.db2.gz BKEHQMPIPDAUGA-LJQANCHMSA-N 3 1 351.539 0.204 20 0 FCADMP COCCN1C[C@@H]2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]2C1=O ZINC001256693801 858095727 /nfs/dbraw/zinc/09/57/27/858095727.db2.gz OLQHAAUJDWMJQV-CPFNUKBASA-N 2 1 351.491 0.666 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C(=O)OC ZINC001257731241 858158363 /nfs/dbraw/zinc/15/83/63/858158363.db2.gz VYLPOISFLWQJDI-ATNYBXOESA-N 2 1 353.463 0.130 20 0 FCADMP COC(=O)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370969 858194248 /nfs/dbraw/zinc/19/42/48/858194248.db2.gz LIBQGVKBINKPLK-ARFHVFGLSA-N 2 1 355.479 0.439 20 0 FCADMP COC(=O)CC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370969 858194254 /nfs/dbraw/zinc/19/42/54/858194254.db2.gz LIBQGVKBINKPLK-ARFHVFGLSA-N 2 1 355.479 0.439 20 0 FCADMP COC(=O)CC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370969 858194257 /nfs/dbraw/zinc/19/42/57/858194257.db2.gz LIBQGVKBINKPLK-ARFHVFGLSA-N 2 1 355.479 0.439 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2cnc(N)s2)C[C@]2(CCCC(=O)N2)C1 ZINC001279693087 863012843 /nfs/dbraw/zinc/01/28/43/863012843.db2.gz BLDIEPLIDZLQCO-KRWDZBQOSA-N 2 1 366.535 0.443 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cnc(N)s2)C[C@]2(CCCC(=O)N2)C1 ZINC001279693087 863012853 /nfs/dbraw/zinc/01/28/53/863012853.db2.gz BLDIEPLIDZLQCO-KRWDZBQOSA-N 2 1 366.535 0.443 20 0 FCADMP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046811 858765623 /nfs/dbraw/zinc/76/56/23/858765623.db2.gz ZEZZYAQWMYRVHC-QZTJIDSGSA-N 2 1 352.523 0.807 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001264392084 859353075 /nfs/dbraw/zinc/35/30/75/859353075.db2.gz CFEULODTGWRKTP-FVCCEPFGSA-N 2 1 366.491 0.301 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)CC[N@@H+]1C ZINC001266591908 859485041 /nfs/dbraw/zinc/48/50/41/859485041.db2.gz BIYUQKADOCDLNX-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001266591908 859485045 /nfs/dbraw/zinc/48/50/45/859485045.db2.gz BIYUQKADOCDLNX-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001266591908 859485052 /nfs/dbraw/zinc/48/50/52/859485052.db2.gz BIYUQKADOCDLNX-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001266591908 859485062 /nfs/dbraw/zinc/48/50/62/859485062.db2.gz BIYUQKADOCDLNX-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001270332584 859719343 /nfs/dbraw/zinc/71/93/43/859719343.db2.gz KKMXNBDHCAGWEJ-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652523 859985689 /nfs/dbraw/zinc/98/56/89/859985689.db2.gz NLGFXOIYCZSHKH-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001272744423 860244435 /nfs/dbraw/zinc/24/44/35/860244435.db2.gz FEJJYQBMYOIGSR-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001272744859 860244466 /nfs/dbraw/zinc/24/44/66/860244466.db2.gz LNOQLBSMBLCSSI-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822605 860272362 /nfs/dbraw/zinc/27/23/62/860272362.db2.gz ZXPZISCNDAXOGL-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822542 860272901 /nfs/dbraw/zinc/27/29/01/860272901.db2.gz YPJKKEYUKMJHSV-VQIMIIECSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273310384 860446164 /nfs/dbraw/zinc/44/61/64/860446164.db2.gz IGIZVECHQVGWCT-IBGZPJMESA-N 2 1 350.507 0.908 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001273312053 860447535 /nfs/dbraw/zinc/44/75/35/860447535.db2.gz BMZWWHWMIMQPMN-JTDSTZFVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)C1=O ZINC001273404088 860479202 /nfs/dbraw/zinc/47/92/02/860479202.db2.gz TXQQYINVERXCQC-BEFAXECRSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273834100 860613515 /nfs/dbraw/zinc/61/35/15/860613515.db2.gz AMRWHMNMMYWOGD-MJGOQNOKSA-N 2 1 352.523 0.583 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122853 860936356 /nfs/dbraw/zinc/93/63/56/860936356.db2.gz KHKKYWHIWJEVAX-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122853 860936367 /nfs/dbraw/zinc/93/63/67/860936367.db2.gz KHKKYWHIWJEVAX-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122853 860936373 /nfs/dbraw/zinc/93/63/73/860936373.db2.gz KHKKYWHIWJEVAX-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001275225631 860993477 /nfs/dbraw/zinc/99/34/77/860993477.db2.gz DGBPXFRDGCYMER-IYBDPMFKSA-N 2 1 350.507 0.729 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737671 861180723 /nfs/dbraw/zinc/18/07/23/861180723.db2.gz NEQZCYFRBWYFBY-QGZVFWFLSA-N 2 1 357.520 0.488 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736801 861180842 /nfs/dbraw/zinc/18/08/42/861180842.db2.gz HIFIZCXALWLKHF-VQIMIIECSA-N 2 1 350.507 0.955 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736707 861180876 /nfs/dbraw/zinc/18/08/76/861180876.db2.gz GKRFASQQIRJBMU-CRAIPNDOSA-N 2 1 353.463 0.241 20 0 FCADMP Cn1cncc1CN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737884 861181808 /nfs/dbraw/zinc/18/18/08/861181808.db2.gz QLFPCLMSYMOINQ-DLBZAZTESA-N 2 1 353.417 0.494 20 0 FCADMP Cn1cncc1CN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737884 861181817 /nfs/dbraw/zinc/18/18/17/861181817.db2.gz QLFPCLMSYMOINQ-DLBZAZTESA-N 2 1 353.417 0.494 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001275743824 861188030 /nfs/dbraw/zinc/18/80/30/861188030.db2.gz YNPXOXFGHRVXMD-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP Cc1cc(C[N@@H+]2CCC3(CN(C(=S)NCC[NH+](C)C)C3)C2)n(C)n1 ZINC001279976176 863163221 /nfs/dbraw/zinc/16/32/21/863163221.db2.gz YYCXGNPBWUAJCO-UHFFFAOYSA-N 2 1 350.536 0.672 20 0 FCADMP Cc1cc(C[N@H+]2CCC3(CN(C(=S)NCC[NH+](C)C)C3)C2)n(C)n1 ZINC001279976176 863163230 /nfs/dbraw/zinc/16/32/30/863163230.db2.gz YYCXGNPBWUAJCO-UHFFFAOYSA-N 2 1 350.536 0.672 20 0 FCADMP CS(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001280057225 863229382 /nfs/dbraw/zinc/22/93/82/863229382.db2.gz DNTBVQOKBKBOFD-GASCZTMLSA-N 2 1 353.488 0.976 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001280057225 863229392 /nfs/dbraw/zinc/22/93/92/863229392.db2.gz DNTBVQOKBKBOFD-GASCZTMLSA-N 2 1 353.488 0.976 20 0 FCADMP CS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001280057225 863229405 /nfs/dbraw/zinc/22/94/05/863229405.db2.gz DNTBVQOKBKBOFD-GASCZTMLSA-N 2 1 353.488 0.976 20 0 FCADMP CS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001280057225 863229413 /nfs/dbraw/zinc/22/94/13/863229413.db2.gz DNTBVQOKBKBOFD-GASCZTMLSA-N 2 1 353.488 0.976 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1n[nH]c2c1CN(CC[NH+](C)C)CC2 ZINC001280221412 863345060 /nfs/dbraw/zinc/34/50/60/863345060.db2.gz OWNUUZSMUKPFJW-UHFFFAOYSA-N 2 1 350.511 0.743 20 0 FCADMP CC(C)NC(=O)N1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280245247 863356692 /nfs/dbraw/zinc/35/66/92/863356692.db2.gz AYWYEIGNIYZYEI-SJORKVTESA-N 2 1 353.511 0.127 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C[C@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280258181 863365268 /nfs/dbraw/zinc/36/52/68/863365268.db2.gz ZZUDOPNFDDZGQY-HNNXBMFYSA-N 2 1 357.520 0.201 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001280259532 863366118 /nfs/dbraw/zinc/36/61/18/863366118.db2.gz PYDWJMFOCQCJAC-XLMAVXFVSA-N 2 1 350.507 0.491 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280259532 863366126 /nfs/dbraw/zinc/36/61/26/863366126.db2.gz PYDWJMFOCQCJAC-XLMAVXFVSA-N 2 1 350.507 0.491 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001282300948 864178251 /nfs/dbraw/zinc/17/82/51/864178251.db2.gz KTCVBOKPAMZDLC-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001282300948 864178257 /nfs/dbraw/zinc/17/82/57/864178257.db2.gz KTCVBOKPAMZDLC-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001282300948 864178264 /nfs/dbraw/zinc/17/82/64/864178264.db2.gz KTCVBOKPAMZDLC-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)CC[NH+]1C ZINC001284736417 864593918 /nfs/dbraw/zinc/59/39/18/864593918.db2.gz KEQCJACYIGSZTJ-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[NH+]2CC[C@H](C)C2)C2CC2)CC[N@@H+]1C ZINC001284736417 864593933 /nfs/dbraw/zinc/59/39/33/864593933.db2.gz KEQCJACYIGSZTJ-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[NH+]2CC[C@H](C)C2)C2CC2)CC[N@H+]1C ZINC001284736417 864593943 /nfs/dbraw/zinc/59/39/43/864593943.db2.gz KEQCJACYIGSZTJ-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC001288979939 864836372 /nfs/dbraw/zinc/83/63/72/864836372.db2.gz MCANCFQIDFQKTQ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001288979939 864836394 /nfs/dbraw/zinc/83/63/94/864836394.db2.gz MCANCFQIDFQKTQ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001288979939 864836419 /nfs/dbraw/zinc/83/64/19/864836419.db2.gz MCANCFQIDFQKTQ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001290042267 865320006 /nfs/dbraw/zinc/32/00/06/865320006.db2.gz FUFIIADTRCMXGP-UUAJXVIYSA-N 2 1 352.523 0.924 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001351798602 866971439 /nfs/dbraw/zinc/97/14/39/866971439.db2.gz ADGSKCQKUBSFQY-UHFFFAOYSA-N 2 1 367.519 0.564 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759780 867460141 /nfs/dbraw/zinc/46/01/41/867460141.db2.gz JKUGWDVUFUXGAF-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC[C@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001317552173 867539682 /nfs/dbraw/zinc/53/96/82/867539682.db2.gz FAXSASNCIWNSNW-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001317552173 867539688 /nfs/dbraw/zinc/53/96/88/867539688.db2.gz FAXSASNCIWNSNW-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001317552173 867539699 /nfs/dbraw/zinc/53/96/99/867539699.db2.gz FAXSASNCIWNSNW-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)CSCC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC001319234476 867864067 /nfs/dbraw/zinc/86/40/67/867864067.db2.gz LGPXDSIAIIHYHR-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CSCC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001319234476 867864075 /nfs/dbraw/zinc/86/40/75/867864075.db2.gz LGPXDSIAIIHYHR-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)CSCC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001319234476 867864090 /nfs/dbraw/zinc/86/40/90/867864090.db2.gz LGPXDSIAIIHYHR-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC001357943665 868165370 /nfs/dbraw/zinc/16/53/70/868165370.db2.gz BTKIUCYJAQTTDP-CYBMUJFWSA-N 2 1 360.252 0.891 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001321612429 868539103 /nfs/dbraw/zinc/53/91/03/868539103.db2.gz QOORCTXOAOHUJP-DYVFJYSZSA-N 2 1 367.519 0.497 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001322860332 868972713 /nfs/dbraw/zinc/97/27/13/868972713.db2.gz CMGYDEDUOLNTSK-GOSISDBHSA-N 2 1 351.539 0.299 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001325617569 869957927 /nfs/dbraw/zinc/95/79/27/869957927.db2.gz IXLUZRFRKIXNFJ-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CN(C(=O)NCCCCS(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001325948160 870108469 /nfs/dbraw/zinc/10/84/69/870108469.db2.gz LNEXSWYLJRZIRF-INIZCTEOSA-N 2 1 374.551 0.621 20 0 FCADMP CN(C(=O)NCCCCS(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001325948160 870108476 /nfs/dbraw/zinc/10/84/76/870108476.db2.gz LNEXSWYLJRZIRF-INIZCTEOSA-N 2 1 374.551 0.621 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](NC(N)=O)C3)CC2)CC1 ZINC001326756075 870484921 /nfs/dbraw/zinc/48/49/21/870484921.db2.gz IXYRLYAOAPRPBW-HNNXBMFYSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001327521020 870921549 /nfs/dbraw/zinc/92/15/49/870921549.db2.gz QYNKRZCSYSIFEP-STQMWFEESA-N 2 1 352.504 0.725 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001327521020 870921557 /nfs/dbraw/zinc/92/15/57/870921557.db2.gz QYNKRZCSYSIFEP-STQMWFEESA-N 2 1 352.504 0.725 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592360 871530904 /nfs/dbraw/zinc/53/09/04/871530904.db2.gz SCPPQRLOTPKTFX-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)n1C ZINC001346378257 871804433 /nfs/dbraw/zinc/80/44/33/871804433.db2.gz PBXIBUDJJQMTRE-CYBMUJFWSA-N 2 1 350.467 0.444 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](CO)[C@H](O)C3)CC2)CC1 ZINC001329065600 871805855 /nfs/dbraw/zinc/80/58/55/871805855.db2.gz FKGRIHMIRYEKMK-SJLPKXTDSA-N 2 1 353.507 0.384 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C[NH+]1CCCCC1 ZINC001346775455 871996053 /nfs/dbraw/zinc/99/60/53/871996053.db2.gz RDRWYNRQWFHEBS-INIZCTEOSA-N 2 1 354.495 0.856 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)C[NH+]1CCCCC1 ZINC001346775455 871996063 /nfs/dbraw/zinc/99/60/63/871996063.db2.gz RDRWYNRQWFHEBS-INIZCTEOSA-N 2 1 354.495 0.856 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nnnn1C ZINC001346916393 872062003 /nfs/dbraw/zinc/06/20/03/872062003.db2.gz FALUVNYZHWDXEU-KGLIPLIRSA-N 2 1 352.487 0.329 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nnnn1C ZINC001346916394 872062316 /nfs/dbraw/zinc/06/23/16/872062316.db2.gz FALUVNYZHWDXEU-UONOGXRCSA-N 2 1 352.487 0.329 20 0 FCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001329520464 872088602 /nfs/dbraw/zinc/08/86/02/872088602.db2.gz IKSIZFUBJJAAAN-GJZGRUSLSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1C[N@@H+](C)CCN1C ZINC001347186436 872209083 /nfs/dbraw/zinc/20/90/83/872209083.db2.gz NEAKXFPMBNEYFG-BBWFWOEESA-N 2 1 355.527 0.373 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347335759 872281598 /nfs/dbraw/zinc/28/15/98/872281598.db2.gz NEYDPTNFQAKZGD-NVXWUHKLSA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001347335759 872281639 /nfs/dbraw/zinc/28/16/39/872281639.db2.gz NEYDPTNFQAKZGD-NVXWUHKLSA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001347335759 872281656 /nfs/dbraw/zinc/28/16/56/872281656.db2.gz NEYDPTNFQAKZGD-NVXWUHKLSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663072 872756435 /nfs/dbraw/zinc/75/64/35/872756435.db2.gz GPEJFTFCBJFQIF-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[NH+]1CCN(C2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC001348700893 872770437 /nfs/dbraw/zinc/77/04/37/872770437.db2.gz JRXYBGGNKBEXFJ-CYBMUJFWSA-N 2 1 351.417 0.688 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453703 873111761 /nfs/dbraw/zinc/11/17/61/873111761.db2.gz OBNMCHKVDZESDL-AEFFLSMTSA-N 2 1 353.511 0.163 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453745 873111814 /nfs/dbraw/zinc/11/18/14/873111814.db2.gz PLPPGTQPIFSWMQ-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)[C@H]1CCC[NH2+]1 ZINC001332414888 873498191 /nfs/dbraw/zinc/49/81/91/873498191.db2.gz FATLDNHUHILKIK-HRCADAONSA-N 2 1 357.520 0.391 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001332689879 873618268 /nfs/dbraw/zinc/61/82/68/873618268.db2.gz BSJSEVBKFBLWFG-FCEWJHQRSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704251 949373556 /nfs/dbraw/zinc/37/35/56/949373556.db2.gz BMKOKPBAGWYGNO-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263583 949401455 /nfs/dbraw/zinc/40/14/55/949401455.db2.gz IEZSVGHHRLOWNO-GUYCJALGSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263584 949402041 /nfs/dbraw/zinc/40/20/41/949402041.db2.gz IEZSVGHHRLOWNO-SUMWQHHRSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576204999 950486335 /nfs/dbraw/zinc/48/63/35/950486335.db2.gz FNHQLHORXIEXEQ-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576205881 950544348 /nfs/dbraw/zinc/54/43/48/950544348.db2.gz QWHYOSMQVHEAJR-AWEZNQCLSA-N 2 1 369.473 0.947 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206218 950566131 /nfs/dbraw/zinc/56/61/31/950566131.db2.gz VQFPBAMGYNIMTL-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001570981183 950578640 /nfs/dbraw/zinc/57/86/40/950578640.db2.gz FUYIFCABFFCAGE-CYBMUJFWSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001570981183 950578654 /nfs/dbraw/zinc/57/86/54/950578654.db2.gz FUYIFCABFFCAGE-CYBMUJFWSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004773 951157339 /nfs/dbraw/zinc/15/73/39/951157339.db2.gz QBJVVSAZAUSQGU-NQBHXWOUSA-N 2 1 361.475 0.759 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575093015 951796290 /nfs/dbraw/zinc/79/62/90/951796290.db2.gz GURZKTMQIZMBTR-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062694 951957703 /nfs/dbraw/zinc/95/77/03/951957703.db2.gz AADPTJWBEUMQSD-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571063164 951962564 /nfs/dbraw/zinc/96/25/64/951962564.db2.gz JLMIZGDOSYSERQ-PGEKIEPBSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575147779 952201016 /nfs/dbraw/zinc/20/10/16/952201016.db2.gz WAFLJENLOXSBIX-KGLIPLIRSA-N 2 1 372.477 0.817 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105213 952390432 /nfs/dbraw/zinc/39/04/32/952390432.db2.gz KBUMCJQGMCVAOI-UKRRQHHQSA-N 2 1 373.436 0.648 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)cn2ccnc12 ZINC000293124073 214147870 /nfs/dbraw/zinc/14/78/70/214147870.db2.gz UHNIHQGWVFCINE-UHFFFAOYSA-N 2 1 372.473 0.723 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cn2ccnc12 ZINC000294397849 214242669 /nfs/dbraw/zinc/24/26/69/214242669.db2.gz SHLKCSHMMOIQCU-AWEZNQCLSA-N 2 1 373.457 0.885 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cn2ccnc12 ZINC000294397849 214242672 /nfs/dbraw/zinc/24/26/72/214242672.db2.gz SHLKCSHMMOIQCU-AWEZNQCLSA-N 2 1 373.457 0.885 20 0 FCADMP CC1[C@@H](C(=O)NCC2=CC[NH+](C)CC2)[C@@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000295095141 214277081 /nfs/dbraw/zinc/27/70/81/214277081.db2.gz SQPANOLKGPEMEW-QZTJIDSGSA-N 2 1 360.502 0.625 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000410614945 529404400 /nfs/dbraw/zinc/40/44/00/529404400.db2.gz MYYNPHCGTVQTFU-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000410614945 529404401 /nfs/dbraw/zinc/40/44/01/529404401.db2.gz MYYNPHCGTVQTFU-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000410614945 529404402 /nfs/dbraw/zinc/40/44/02/529404402.db2.gz MYYNPHCGTVQTFU-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000410614945 529404403 /nfs/dbraw/zinc/40/44/03/529404403.db2.gz MYYNPHCGTVQTFU-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](CCNC(=O)c1ccnc(C(=O)NCC[N@H+](C)C2CC2)c1)C1CC1 ZINC000265885288 210242440 /nfs/dbraw/zinc/24/24/40/210242440.db2.gz DCHXDQZBDBESBT-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+](CCNC(=O)c1ccnc(C(=O)NCC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000265885288 210242444 /nfs/dbraw/zinc/24/24/44/210242444.db2.gz DCHXDQZBDBESBT-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+](CCNC(=O)c1cc(C(=O)NCC[N@H+](C)C2CC2)ccn1)C1CC1 ZINC000265885288 210242433 /nfs/dbraw/zinc/24/24/33/210242433.db2.gz DCHXDQZBDBESBT-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc[nH+]1 ZINC000169232084 529812948 /nfs/dbraw/zinc/81/29/48/529812948.db2.gz OUDSYTXZTJPFDX-INIZCTEOSA-N 2 1 354.458 0.761 20 0 FCADMP C[N@@H+](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000412469535 529833351 /nfs/dbraw/zinc/83/33/51/529833351.db2.gz XHXHQZXHOXYGBI-INIZCTEOSA-N 2 1 370.563 0.337 20 0 FCADMP CN(CC[N@@H+](C)CCCN1C(=O)NC(C)(C)C1=O)C1CC[NH+](C)CC1 ZINC000177381290 529885974 /nfs/dbraw/zinc/88/59/74/529885974.db2.gz WHTKSNRMMZVWNN-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410831647 529900898 /nfs/dbraw/zinc/90/08/98/529900898.db2.gz AFJCEMNHERDPMH-UHFFFAOYSA-N 2 1 368.522 0.356 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410831647 529900900 /nfs/dbraw/zinc/90/09/00/529900900.db2.gz AFJCEMNHERDPMH-UHFFFAOYSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000410781702 529965171 /nfs/dbraw/zinc/96/51/71/529965171.db2.gz CLAJEKWBESJTMT-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000410781702 529965172 /nfs/dbraw/zinc/96/51/72/529965172.db2.gz CLAJEKWBESJTMT-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410781702 529965173 /nfs/dbraw/zinc/96/51/73/529965173.db2.gz CLAJEKWBESJTMT-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000331486059 215003838 /nfs/dbraw/zinc/00/38/38/215003838.db2.gz QVDYEAIKIWYWBC-WBVHZDCISA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000331486059 215003840 /nfs/dbraw/zinc/00/38/40/215003840.db2.gz QVDYEAIKIWYWBC-WBVHZDCISA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000331486059 215003843 /nfs/dbraw/zinc/00/38/43/215003843.db2.gz QVDYEAIKIWYWBC-WBVHZDCISA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331460424 215000376 /nfs/dbraw/zinc/00/03/76/215000376.db2.gz YWTWRAIHPVUPTQ-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000331526713 215009951 /nfs/dbraw/zinc/00/99/51/215009951.db2.gz GPMQCVCWNYLNDC-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)CC1 ZINC000331526713 215009955 /nfs/dbraw/zinc/00/99/55/215009955.db2.gz GPMQCVCWNYLNDC-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000331547589 215013790 /nfs/dbraw/zinc/01/37/90/215013790.db2.gz BEQFBDMRXUVYQV-KBUPBQIOSA-N 2 1 352.479 0.301 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000331570981 215016589 /nfs/dbraw/zinc/01/65/89/215016589.db2.gz VLIMJDPUXYKLDY-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000331570981 215016592 /nfs/dbraw/zinc/01/65/92/215016592.db2.gz VLIMJDPUXYKLDY-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000331570981 215016595 /nfs/dbraw/zinc/01/65/95/215016595.db2.gz VLIMJDPUXYKLDY-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000331570987 215016800 /nfs/dbraw/zinc/01/68/00/215016800.db2.gz VLIMJDPUXYKLDY-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000331570987 215016803 /nfs/dbraw/zinc/01/68/03/215016803.db2.gz VLIMJDPUXYKLDY-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000331570987 215016806 /nfs/dbraw/zinc/01/68/06/215016806.db2.gz VLIMJDPUXYKLDY-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCCCC1 ZINC000331711146 215037655 /nfs/dbraw/zinc/03/76/55/215037655.db2.gz KUYXLYZIBAOEPO-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000331791945 215046789 /nfs/dbraw/zinc/04/67/89/215046789.db2.gz KLRHLUULHLLAIZ-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000331791945 215046790 /nfs/dbraw/zinc/04/67/90/215046790.db2.gz KLRHLUULHLLAIZ-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC[C@@H]21 ZINC000332059765 215084707 /nfs/dbraw/zinc/08/47/07/215084707.db2.gz XGBSKAMWKMQWRX-ZACQAIPSSA-N 2 1 350.507 0.953 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332063304 215086279 /nfs/dbraw/zinc/08/62/79/215086279.db2.gz QMDJBWMXLZKKBA-HOTGVXAUSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332063304 215086281 /nfs/dbraw/zinc/08/62/81/215086281.db2.gz QMDJBWMXLZKKBA-HOTGVXAUSA-N 2 1 359.474 0.638 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)C1 ZINC000332343395 215133735 /nfs/dbraw/zinc/13/37/35/215133735.db2.gz SOIJRXKNFTURDZ-KSWRQPAISA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000332386486 215142745 /nfs/dbraw/zinc/14/27/45/215142745.db2.gz YCRMOUDDSDTLFF-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332375784 215139989 /nfs/dbraw/zinc/13/99/89/215139989.db2.gz RMGZSXNDGWMQJZ-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000332417230 215148608 /nfs/dbraw/zinc/14/86/08/215148608.db2.gz VEEQZMRPHSWZLB-QGZVFWFLSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)c1 ZINC000332513774 215165224 /nfs/dbraw/zinc/16/52/24/215165224.db2.gz LFZABGNTPCIZDF-HOTGVXAUSA-N 2 1 359.474 0.767 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332528634 215169825 /nfs/dbraw/zinc/16/98/25/215169825.db2.gz GERIDTXIRSKTKA-GOEBONIOSA-N 2 1 352.479 0.038 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000332525819 215168983 /nfs/dbraw/zinc/16/89/83/215168983.db2.gz NAYSCTRFTRHYNW-SJORKVTESA-N 2 1 365.522 0.700 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)CC2)c1 ZINC000332540287 215173946 /nfs/dbraw/zinc/17/39/46/215173946.db2.gz KOGUFNYZTOYDMQ-OAHLLOKOSA-N 2 1 359.474 0.624 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS[C@H]3COCC[C@@H]32)C1 ZINC000332978924 215220769 /nfs/dbraw/zinc/22/07/69/215220769.db2.gz KBMSALYEGBDZKS-IKGGRYGDSA-N 2 1 371.547 0.666 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCS[C@H]3COCC[C@@H]32)C1 ZINC000332978924 215220771 /nfs/dbraw/zinc/22/07/71/215220771.db2.gz KBMSALYEGBDZKS-IKGGRYGDSA-N 2 1 371.547 0.666 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333131716 215239908 /nfs/dbraw/zinc/23/99/08/215239908.db2.gz BUJCQJDALDBQBB-KURKYZTESA-N 2 1 372.517 0.843 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)C1 ZINC000333333173 215265583 /nfs/dbraw/zinc/26/55/83/215265583.db2.gz WORULDCBFAZEJX-SJORKVTESA-N 2 1 350.507 0.955 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000333361692 215270094 /nfs/dbraw/zinc/27/00/94/215270094.db2.gz CZKXLJBJAIHDOL-BZUAXINKSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333396921 215274613 /nfs/dbraw/zinc/27/46/13/215274613.db2.gz PLWDAGBZBLLURK-SQNIBIBYSA-N 2 1 372.517 0.986 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490587 215288758 /nfs/dbraw/zinc/28/87/58/215288758.db2.gz DGDIVXZQLQROBN-UKRRQHHQSA-N 2 1 363.428 0.560 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501142 215290054 /nfs/dbraw/zinc/29/00/54/215290054.db2.gz FLFOUBPFLITMLL-MGPQQGTHSA-N 2 1 363.428 0.701 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333639487 215303542 /nfs/dbraw/zinc/30/35/42/215303542.db2.gz HWKVOZRLXSMPOJ-XHSDSOJGSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)[N@@H+]1CCO ZINC000333616537 215302204 /nfs/dbraw/zinc/30/22/04/215302204.db2.gz OYJWRQRVQWOBJQ-IYBDPMFKSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)[NH+]1CCO ZINC000333616537 215302207 /nfs/dbraw/zinc/30/22/07/215302207.db2.gz OYJWRQRVQWOBJQ-IYBDPMFKSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)[NH+]1CCO ZINC000333616537 215302209 /nfs/dbraw/zinc/30/22/09/215302209.db2.gz OYJWRQRVQWOBJQ-IYBDPMFKSA-N 2 1 355.527 0.109 20 0 FCADMP [NH3+]C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCC1 ZINC000333653805 215304852 /nfs/dbraw/zinc/30/48/52/215304852.db2.gz WGQAHIZNYYLRCO-UHFFFAOYSA-N 2 1 354.495 0.829 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@@H+]1C1CC1 ZINC000333653429 215305228 /nfs/dbraw/zinc/30/52/28/215305228.db2.gz VGEIEDAOYVWMRV-CVEARBPZSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@H+]1C1CC1 ZINC000333653429 215305231 /nfs/dbraw/zinc/30/52/31/215305231.db2.gz VGEIEDAOYVWMRV-CVEARBPZSA-N 2 1 366.506 0.792 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000333676010 215307865 /nfs/dbraw/zinc/30/78/65/215307865.db2.gz NYEPDMCTIVRBEK-RDBSUJKOSA-N 2 1 365.444 0.947 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333715966 215311773 /nfs/dbraw/zinc/31/17/73/215311773.db2.gz NBWIZGZKZXKOLG-QZTJIDSGSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333765823 215318099 /nfs/dbraw/zinc/31/80/99/215318099.db2.gz QGDGIMGLEDRJOF-IRXDYDNUSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333765823 215318100 /nfs/dbraw/zinc/31/81/00/215318100.db2.gz QGDGIMGLEDRJOF-IRXDYDNUSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333879251 215327332 /nfs/dbraw/zinc/32/73/32/215327332.db2.gz DDHDPFCJVBEFRF-UHFFFAOYSA-N 2 1 352.479 0.405 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333864547 215325494 /nfs/dbraw/zinc/32/54/94/215325494.db2.gz SRRUOYHFUWRWLP-CRAIPNDOSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)[C@H]2C1 ZINC000333908302 215329726 /nfs/dbraw/zinc/32/97/26/215329726.db2.gz WACBKMQLBCOJSY-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@H]2C1 ZINC000333908302 215329729 /nfs/dbraw/zinc/32/97/29/215329729.db2.gz WACBKMQLBCOJSY-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP Cc1nccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285773206 213392927 /nfs/dbraw/zinc/39/29/27/213392927.db2.gz FDLBMYYIZQEUJL-DOTOQJQBSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773206 213392929 /nfs/dbraw/zinc/39/29/29/213392929.db2.gz FDLBMYYIZQEUJL-DOTOQJQBSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285773206 213392932 /nfs/dbraw/zinc/39/29/32/213392932.db2.gz FDLBMYYIZQEUJL-DOTOQJQBSA-N 2 1 359.474 0.783 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334069552 215340836 /nfs/dbraw/zinc/34/08/36/215340836.db2.gz GFHGXZIQUDGLKC-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000334069552 215340841 /nfs/dbraw/zinc/34/08/41/215340841.db2.gz GFHGXZIQUDGLKC-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000334115998 215346292 /nfs/dbraw/zinc/34/62/92/215346292.db2.gz HEYMQPOTRMFBJG-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000360915867 215375557 /nfs/dbraw/zinc/37/55/57/215375557.db2.gz ZOYDZMQLTTVYDX-XHSDSOJGSA-N 2 1 369.506 0.875 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013893 215379615 /nfs/dbraw/zinc/37/96/15/215379615.db2.gz WQTVKSRDDBJOIE-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000361013893 215379618 /nfs/dbraw/zinc/37/96/18/215379618.db2.gz WQTVKSRDDBJOIE-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000361013893 215379620 /nfs/dbraw/zinc/37/96/20/215379620.db2.gz WQTVKSRDDBJOIE-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000361369221 215392389 /nfs/dbraw/zinc/39/23/89/215392389.db2.gz ZCGVOSQFFHLXTR-KURKYZTESA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000361369221 215392392 /nfs/dbraw/zinc/39/23/92/215392392.db2.gz ZCGVOSQFFHLXTR-KURKYZTESA-N 2 1 352.523 0.724 20 0 FCADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)Cn1cccn1 ZINC000285407067 213337474 /nfs/dbraw/zinc/33/74/74/213337474.db2.gz ISDILZKSCBFOAA-FQEVSTJZSA-N 2 1 357.502 0.994 20 0 FCADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)Cn1cccn1 ZINC000285407072 213336900 /nfs/dbraw/zinc/33/69/00/213336900.db2.gz ISDILZKSCBFOAA-HXUWFJFHSA-N 2 1 357.502 0.994 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000284944268 213254770 /nfs/dbraw/zinc/25/47/70/213254770.db2.gz RDRSFSXIQRWUCA-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000284702794 213201558 /nfs/dbraw/zinc/20/15/58/213201558.db2.gz WUPQPVFWOHKRBB-GOSISDBHSA-N 2 1 358.486 0.714 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000284702794 213201560 /nfs/dbraw/zinc/20/15/60/213201560.db2.gz WUPQPVFWOHKRBB-GOSISDBHSA-N 2 1 358.486 0.714 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284328428 213111908 /nfs/dbraw/zinc/11/19/08/213111908.db2.gz JRYWNDJCRYBPES-GJZGRUSLSA-N 2 1 350.463 0.989 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284280062 213103815 /nfs/dbraw/zinc/10/38/15/213103815.db2.gz HMBQKJBSLSNBNB-CQSZACIVSA-N 2 1 354.451 0.035 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284137824 213082888 /nfs/dbraw/zinc/08/28/88/213082888.db2.gz DMLDUAGETINGGO-DLBZAZTESA-N 2 1 362.474 0.913 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284123762 213079433 /nfs/dbraw/zinc/07/94/33/213079433.db2.gz PWQQYVIYWRWPEH-QGZVFWFLSA-N 2 1 367.519 0.641 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000283998342 213052105 /nfs/dbraw/zinc/05/21/05/213052105.db2.gz IIKCFIYTNACCIJ-GUYCJALGSA-N 2 1 368.503 0.552 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000283882910 213026788 /nfs/dbraw/zinc/02/67/88/213026788.db2.gz CKOQBQJRJZBPQY-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000283882910 213026790 /nfs/dbraw/zinc/02/67/90/213026790.db2.gz CKOQBQJRJZBPQY-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000283882910 213026792 /nfs/dbraw/zinc/02/67/92/213026792.db2.gz CKOQBQJRJZBPQY-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000283882910 213026794 /nfs/dbraw/zinc/02/67/94/213026794.db2.gz CKOQBQJRJZBPQY-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849029 213019933 /nfs/dbraw/zinc/01/99/33/213019933.db2.gz FRSFOCJAAOSIRM-SJORKVTESA-N 2 1 362.474 0.242 20 0 FCADMP C[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000262481847 209594828 /nfs/dbraw/zinc/59/48/28/209594828.db2.gz ZPLMAHJGXHCKHB-HNNXBMFYSA-N 2 1 374.485 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366595517 216001679 /nfs/dbraw/zinc/00/16/79/216001679.db2.gz GUDILJHSFNLXSD-KFWWJZLASA-N 2 1 353.429 0.884 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000413305099 237311208 /nfs/dbraw/zinc/31/12/08/237311208.db2.gz UCYGQMPQDSFPJD-MRXNPFEDSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000413305099 237311215 /nfs/dbraw/zinc/31/12/15/237311215.db2.gz UCYGQMPQDSFPJD-MRXNPFEDSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000366915309 216048753 /nfs/dbraw/zinc/04/87/53/216048753.db2.gz SPTUAIUNMNXICQ-UHFFFAOYSA-N 2 1 362.518 0.875 20 0 FCADMP COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000367601203 216140897 /nfs/dbraw/zinc/14/08/97/216140897.db2.gz FIFRVOSNJUCLDE-CQSZACIVSA-N 2 1 351.369 0.578 20 0 FCADMP COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000367601203 216140901 /nfs/dbraw/zinc/14/09/01/216140901.db2.gz FIFRVOSNJUCLDE-CQSZACIVSA-N 2 1 351.369 0.578 20 0 FCADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)NCC(C)(C)N1CCOCC1 ZINC000367598910 216140974 /nfs/dbraw/zinc/14/09/74/216140974.db2.gz AQUTYDVZWAPCDG-OLEVXBPZSA-N 2 1 351.491 0.569 20 0 FCADMP CC[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)C1CC1 ZINC000367777280 216160947 /nfs/dbraw/zinc/16/09/47/216160947.db2.gz RIHMFBMFMQUGCF-ZXFUBFMLSA-N 2 1 365.522 0.854 20 0 FCADMP CC[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CC1 ZINC000367777280 216160952 /nfs/dbraw/zinc/16/09/52/216160952.db2.gz RIHMFBMFMQUGCF-ZXFUBFMLSA-N 2 1 365.522 0.854 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000246665720 209394834 /nfs/dbraw/zinc/39/48/34/209394834.db2.gz DVENYMKJUNRUNC-WBVHZDCISA-N 2 1 361.490 0.754 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000246665720 209394836 /nfs/dbraw/zinc/39/48/36/209394836.db2.gz DVENYMKJUNRUNC-WBVHZDCISA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)CN1CC[NH+](C)CC1 ZINC000245883983 209375726 /nfs/dbraw/zinc/37/57/26/209375726.db2.gz BLJBTMDFMAQAFD-KZNAEPCWSA-N 2 1 351.539 0.996 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NCCCN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000237229149 209348615 /nfs/dbraw/zinc/34/86/15/209348615.db2.gz PDARRWZEGWBQBX-LJQANCHMSA-N 2 1 359.518 0.387 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237517439 209354456 /nfs/dbraw/zinc/35/44/56/209354456.db2.gz FCYBLALWXRIAFL-CQSZACIVSA-N 2 1 352.508 0.185 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237026736 209345347 /nfs/dbraw/zinc/34/53/47/209345347.db2.gz JMRYKPAYIDGZSI-OAHLLOKOSA-N 2 1 356.536 0.484 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237026736 209345352 /nfs/dbraw/zinc/34/53/52/209345352.db2.gz JMRYKPAYIDGZSI-OAHLLOKOSA-N 2 1 356.536 0.484 20 0 FCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193917660 209320802 /nfs/dbraw/zinc/32/08/02/209320802.db2.gz MFUREPQJUGPWFJ-HNNXBMFYSA-N 2 1 373.501 0.713 20 0 FCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193917660 209320803 /nfs/dbraw/zinc/32/08/03/209320803.db2.gz MFUREPQJUGPWFJ-HNNXBMFYSA-N 2 1 373.501 0.713 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369395059 216393545 /nfs/dbraw/zinc/39/35/45/216393545.db2.gz YFJXZCGLFYUOCW-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369395059 216393548 /nfs/dbraw/zinc/39/35/48/216393548.db2.gz YFJXZCGLFYUOCW-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369401757 216396169 /nfs/dbraw/zinc/39/61/69/216396169.db2.gz NSCXIXVRIPQLCS-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000189563589 209256280 /nfs/dbraw/zinc/25/62/80/209256280.db2.gz VCOYPTCJWAAUNM-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000189341899 209249391 /nfs/dbraw/zinc/24/93/91/209249391.db2.gz DORBMUDFMSFTJO-GOSISDBHSA-N 2 1 374.529 0.897 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000188945775 209241981 /nfs/dbraw/zinc/24/19/81/209241981.db2.gz MMCFDDPBRRJGLV-SJORKVTESA-N 2 1 369.554 0.357 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000188159552 209224775 /nfs/dbraw/zinc/22/47/75/209224775.db2.gz LEQQCARFWIXGKN-GHTZIAJQSA-N 2 1 374.529 0.718 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000188159552 209224778 /nfs/dbraw/zinc/22/47/78/209224778.db2.gz LEQQCARFWIXGKN-GHTZIAJQSA-N 2 1 374.529 0.718 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000187140390 209205294 /nfs/dbraw/zinc/20/52/94/209205294.db2.gz YFKLVSUEKSJVOF-UHFFFAOYSA-N 2 1 358.552 0.961 20 0 FCADMP COc1ccc(C[N@@H+](CCO)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c(OC)c1 ZINC000414701239 245313820 /nfs/dbraw/zinc/31/38/20/245313820.db2.gz UMAWODSEAHEQFS-HNNXBMFYSA-N 2 1 365.474 0.695 20 0 FCADMP C[C@H](C[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000415144980 245351159 /nfs/dbraw/zinc/35/11/59/245351159.db2.gz WFVIRYRUQQTMON-CYBMUJFWSA-N 2 1 369.491 0.482 20 0 FCADMP C[C@H](C[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000415144980 245351167 /nfs/dbraw/zinc/35/11/67/245351167.db2.gz WFVIRYRUQQTMON-CYBMUJFWSA-N 2 1 369.491 0.482 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@@H+]1C ZINC000415180247 245355862 /nfs/dbraw/zinc/35/58/62/245355862.db2.gz WNRAQIZDUOJDEC-WMLDXEAASA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@H+]1C ZINC000415180247 245355868 /nfs/dbraw/zinc/35/58/68/245355868.db2.gz WNRAQIZDUOJDEC-WMLDXEAASA-N 2 1 359.474 0.635 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374171846 217105008 /nfs/dbraw/zinc/10/50/08/217105008.db2.gz KHGRMCVCAFOQRF-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891211 209154371 /nfs/dbraw/zinc/15/43/71/209154371.db2.gz KPAZKKJJVWYXDS-CQSZACIVSA-N 2 1 350.467 0.660 20 0 FCADMP C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330174 209145251 /nfs/dbraw/zinc/14/52/51/209145251.db2.gz CUIQGDJMXHUMGG-RLLQIKCJSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330174 209145255 /nfs/dbraw/zinc/14/52/55/209145255.db2.gz CUIQGDJMXHUMGG-RLLQIKCJSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542248 245705816 /nfs/dbraw/zinc/70/58/16/245705816.db2.gz DHAVVUVENRVNHS-CRAIPNDOSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000419156215 246021830 /nfs/dbraw/zinc/02/18/30/246021830.db2.gz SNRAEESHHKJCMC-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)[nH+]1 ZINC000419131239 246006856 /nfs/dbraw/zinc/00/68/56/246006856.db2.gz GLYAFQNCAZJISW-UHFFFAOYSA-N 2 1 359.474 0.685 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419135037 246008585 /nfs/dbraw/zinc/00/85/85/246008585.db2.gz LPOKAKSKVOGYRV-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419140338 246012053 /nfs/dbraw/zinc/01/20/53/246012053.db2.gz VRJAKILRQHCHAY-SFHVURJKSA-N 2 1 356.470 0.803 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419140784 246013648 /nfs/dbraw/zinc/01/36/48/246013648.db2.gz WCRYCHNVBNUPRX-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419162677 246026731 /nfs/dbraw/zinc/02/67/31/246026731.db2.gz HRXUFQVIFBUYAL-RDJZCZTQSA-N 2 1 362.474 0.105 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419165406 246028391 /nfs/dbraw/zinc/02/83/91/246028391.db2.gz GIMRWVKKOBFTTQ-GBESFXJTSA-N 2 1 370.497 0.345 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419168068 246030036 /nfs/dbraw/zinc/03/00/36/246030036.db2.gz JYNQCAPYGONCDA-ZNMIVQPWSA-N 2 1 354.495 0.452 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000419175747 246034978 /nfs/dbraw/zinc/03/49/78/246034978.db2.gz XZYHDHUPKYRIML-IBGZPJMESA-N 2 1 372.513 0.865 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)CCC(F)(F)F ZINC000419207055 246055371 /nfs/dbraw/zinc/05/53/71/246055371.db2.gz LWPBAJVOJOBNLB-NWDGAFQWSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)CCC(F)(F)F ZINC000419207055 246055374 /nfs/dbraw/zinc/05/53/74/246055374.db2.gz LWPBAJVOJOBNLB-NWDGAFQWSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208007 246055718 /nfs/dbraw/zinc/05/57/18/246055718.db2.gz NPKVFRXOEYJCSH-OLZOCXBDSA-N 2 1 366.428 0.881 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208007 246055725 /nfs/dbraw/zinc/05/57/25/246055725.db2.gz NPKVFRXOEYJCSH-OLZOCXBDSA-N 2 1 366.428 0.881 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212944 246057234 /nfs/dbraw/zinc/05/72/34/246057234.db2.gz VSBFUARATQCZSX-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212944 246057236 /nfs/dbraw/zinc/05/72/36/246057236.db2.gz VSBFUARATQCZSX-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419217337 246061394 /nfs/dbraw/zinc/06/13/94/246061394.db2.gz QOJFMKUYOOKDFG-GASCZTMLSA-N 2 1 362.474 0.248 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC3C[NH2+]C3)cc2)C1 ZINC000419204834 246053163 /nfs/dbraw/zinc/05/31/63/246053163.db2.gz JHSAGODMEKWWMV-OAHLLOKOSA-N 2 1 358.486 0.870 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)CCC(F)(F)F ZINC000419206688 246053534 /nfs/dbraw/zinc/05/35/34/246053534.db2.gz LCXLWFZUGNQQKT-LBPRGKRZSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)CCC(F)(F)F ZINC000419206688 246053538 /nfs/dbraw/zinc/05/35/38/246053538.db2.gz LCXLWFZUGNQQKT-LBPRGKRZSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)CCC(F)(F)F ZINC000419208042 246053985 /nfs/dbraw/zinc/05/39/85/246053985.db2.gz NSXFTBZRGSVDSY-NEPJUHHUSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)CCC(F)(F)F ZINC000419208042 246053991 /nfs/dbraw/zinc/05/39/91/246053991.db2.gz NSXFTBZRGSVDSY-NEPJUHHUSA-N 2 1 352.401 0.586 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419270235 246083556 /nfs/dbraw/zinc/08/35/56/246083556.db2.gz QKLYHDKALVIHRX-QGZVFWFLSA-N 2 1 360.458 0.003 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230871 246067738 /nfs/dbraw/zinc/06/77/38/246067738.db2.gz JCHMVQMRFICFNV-BZUAXINKSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230871 246067742 /nfs/dbraw/zinc/06/77/42/246067742.db2.gz JCHMVQMRFICFNV-BZUAXINKSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419230475 246067871 /nfs/dbraw/zinc/06/78/71/246067871.db2.gz IROGDRFNKIBPGA-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419230475 246067876 /nfs/dbraw/zinc/06/78/76/246067876.db2.gz IROGDRFNKIBPGA-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)C[C@@H]21 ZINC000419228626 246067964 /nfs/dbraw/zinc/06/79/64/246067964.db2.gz MOHKARMAIDUCAQ-ZJPYXAASSA-N 2 1 362.518 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419228603 246068005 /nfs/dbraw/zinc/06/80/05/246068005.db2.gz MLVAIFVONPNJSL-NUJGCVRESA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419231243 246068322 /nfs/dbraw/zinc/06/83/22/246068322.db2.gz JMHJCGOGPDBUTN-CYBMUJFWSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419231243 246068326 /nfs/dbraw/zinc/06/83/26/246068326.db2.gz JMHJCGOGPDBUTN-CYBMUJFWSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419228517 246068524 /nfs/dbraw/zinc/06/85/24/246068524.db2.gz GUTMCSCUIUQJHX-HLLBOEOZSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419228517 246068528 /nfs/dbraw/zinc/06/85/28/246068528.db2.gz GUTMCSCUIUQJHX-HLLBOEOZSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231194 246069205 /nfs/dbraw/zinc/06/92/05/246069205.db2.gz RKBBFDHGVRXPQX-NUEKZKHPSA-N 2 1 366.506 0.596 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419234955 246071560 /nfs/dbraw/zinc/07/15/60/246071560.db2.gz YEXFZEFTHKXXMI-RYRKJORJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419233887 246072042 /nfs/dbraw/zinc/07/20/42/246072042.db2.gz WVPZNORLGKCKKC-XIRDDKMYSA-N 2 1 350.507 0.871 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000419234056 246072180 /nfs/dbraw/zinc/07/21/80/246072180.db2.gz LSDOEGFHIFDDKA-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000419234056 246072183 /nfs/dbraw/zinc/07/21/83/246072183.db2.gz LSDOEGFHIFDDKA-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419233939 246072550 /nfs/dbraw/zinc/07/25/50/246072550.db2.gz LMJOAZQHZKOLPI-LZQZEXGQSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419233939 246072556 /nfs/dbraw/zinc/07/25/56/246072556.db2.gz LMJOAZQHZKOLPI-LZQZEXGQSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419236788 246074831 /nfs/dbraw/zinc/07/48/31/246074831.db2.gz OCWWWGSZORGHQX-MDZRGWNJSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419236788 246074834 /nfs/dbraw/zinc/07/48/34/246074834.db2.gz OCWWWGSZORGHQX-MDZRGWNJSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000419236781 246074972 /nfs/dbraw/zinc/07/49/72/246074972.db2.gz OCADIUBCDIZZFD-ZDUSSCGKSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000419236781 246074977 /nfs/dbraw/zinc/07/49/77/246074977.db2.gz OCADIUBCDIZZFD-ZDUSSCGKSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419250022 246075936 /nfs/dbraw/zinc/07/59/36/246075936.db2.gz YUPVPDBLGXGRDC-MCIONIFRSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419250022 246075939 /nfs/dbraw/zinc/07/59/39/246075939.db2.gz YUPVPDBLGXGRDC-MCIONIFRSA-N 2 1 364.515 0.807 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)[nH+]c1 ZINC000419304622 246093548 /nfs/dbraw/zinc/09/35/48/246093548.db2.gz UXFRHIMXKDFKOA-GDBMZVCRSA-N 2 1 359.474 0.589 20 0 FCADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NCC1C[NH2+]C1 ZINC000419339039 246102935 /nfs/dbraw/zinc/10/29/35/246102935.db2.gz CSBYELGJKITZML-MRXNPFEDSA-N 2 1 364.877 0.929 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419412427 246146176 /nfs/dbraw/zinc/14/61/76/246146176.db2.gz REFFMTONEOAEOV-MSOLQXFVSA-N 2 1 358.486 0.793 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000419395338 246132033 /nfs/dbraw/zinc/13/20/33/246132033.db2.gz QIBPHRTYWSRUQP-SFHVURJKSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000419395338 246132039 /nfs/dbraw/zinc/13/20/39/246132039.db2.gz QIBPHRTYWSRUQP-SFHVURJKSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399831 246134550 /nfs/dbraw/zinc/13/45/50/246134550.db2.gz ZTLWERMWBNWVBI-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399831 246134554 /nfs/dbraw/zinc/13/45/54/246134554.db2.gz ZTLWERMWBNWVBI-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419402146 246136642 /nfs/dbraw/zinc/13/66/42/246136642.db2.gz BHOIEANEHWFMJN-QZTJIDSGSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000419408026 246140843 /nfs/dbraw/zinc/14/08/43/246140843.db2.gz LFMXBSLAXHLGHV-YYIAUSFCSA-N 2 1 352.523 0.914 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000419409262 246141273 /nfs/dbraw/zinc/14/12/73/246141273.db2.gz MVHUJFXSFNJCRQ-INIZCTEOSA-N 2 1 354.495 0.252 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000419407897 246141470 /nfs/dbraw/zinc/14/14/70/246141470.db2.gz KXVZQAIYOIBZFS-PBHICJAKSA-N 2 1 350.488 0.679 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419407298 246141728 /nfs/dbraw/zinc/14/17/28/246141728.db2.gz YBDRLQQSTAVFFT-MRXNPFEDSA-N 2 1 364.515 0.398 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419407298 246141731 /nfs/dbraw/zinc/14/17/31/246141731.db2.gz YBDRLQQSTAVFFT-MRXNPFEDSA-N 2 1 364.515 0.398 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419408199 246142023 /nfs/dbraw/zinc/14/20/23/246142023.db2.gz ZZCKQEMKINNVDX-GDBMZVCRSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419408199 246142028 /nfs/dbraw/zinc/14/20/28/246142028.db2.gz ZZCKQEMKINNVDX-GDBMZVCRSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419408024 246142545 /nfs/dbraw/zinc/14/25/45/246142545.db2.gz LFMXBSLAXHLGHV-YVSFHVDLSA-N 2 1 352.523 0.914 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419410730 246144175 /nfs/dbraw/zinc/14/41/75/246144175.db2.gz OYVPZDPXLKEZRN-SFHVURJKSA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419411892 246145839 /nfs/dbraw/zinc/14/58/39/246145839.db2.gz CBHNFDYBBZIIRI-GOSISDBHSA-N 2 1 358.486 0.809 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419450103 246168657 /nfs/dbraw/zinc/16/86/57/246168657.db2.gz LCFMYGIYGPOUEU-SJORKVTESA-N 2 1 373.501 0.182 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419451331 246169225 /nfs/dbraw/zinc/16/92/25/246169225.db2.gz NERKEGHKZYYVHA-IAGOWNOFSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419452088 246171645 /nfs/dbraw/zinc/17/16/45/246171645.db2.gz OMQRTGFJFKOSNO-DLBZAZTESA-N 2 1 373.501 0.263 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419417699 246152014 /nfs/dbraw/zinc/15/20/14/246152014.db2.gz XNTKPJBKPKDKKA-ZTFGCOKTSA-N 2 1 358.486 0.745 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419418770 246152426 /nfs/dbraw/zinc/15/24/26/246152426.db2.gz YLCMCOQTYYZSMY-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487364 246181690 /nfs/dbraw/zinc/18/16/90/246181690.db2.gz BCDAOXTWWCSUJU-MRXNPFEDSA-N 2 1 373.501 0.311 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)o1 ZINC000419499502 246182881 /nfs/dbraw/zinc/18/28/81/246182881.db2.gz BTSXXTWHWAKFHI-PMPSAXMXSA-N 2 1 360.458 0.661 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419502559 246182950 /nfs/dbraw/zinc/18/29/50/246182950.db2.gz GCPPLLNBYQOHEI-JFIYKMOQSA-N 2 1 373.501 0.119 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419504356 246184192 /nfs/dbraw/zinc/18/41/92/246184192.db2.gz GOUJCESMACYHKQ-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419510895 246186495 /nfs/dbraw/zinc/18/64/95/246186495.db2.gz WSFJVXWNTYLZNI-JZXOWHBKSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419525585 246191389 /nfs/dbraw/zinc/19/13/89/246191389.db2.gz ROJPYLWKDXMBQL-JLJPHGGASA-N 2 1 364.465 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419530602 246191522 /nfs/dbraw/zinc/19/15/22/246191522.db2.gz JLEKPCSVOZQABT-NRSFXHEJSA-N 2 1 356.470 0.301 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525134 246191860 /nfs/dbraw/zinc/19/18/60/246191860.db2.gz CXAWWCJVXFHVJJ-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528323 246191931 /nfs/dbraw/zinc/19/19/31/246191931.db2.gz CAMNZOGAIXQJNE-SJORKVTESA-N 2 1 362.474 0.290 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419525117 246192174 /nfs/dbraw/zinc/19/21/74/246192174.db2.gz CVTDEAFUZJUXAK-ONIAQPFYSA-N 2 1 358.486 0.819 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419525838 246192328 /nfs/dbraw/zinc/19/23/28/246192328.db2.gz DPCYWXISFBMLPW-SZMVWBNQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419474088 246176399 /nfs/dbraw/zinc/17/63/99/246176399.db2.gz BMJHUEIPBZFDDT-APWZRJJASA-N 2 1 350.507 0.827 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419474090 246177180 /nfs/dbraw/zinc/17/71/80/246177180.db2.gz BMJHUEIPBZFDDT-QFBILLFUSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419586245 246212298 /nfs/dbraw/zinc/21/22/98/246212298.db2.gz MPJWNYFFBADYCL-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533368 246194570 /nfs/dbraw/zinc/19/45/70/246194570.db2.gz OUDJNMKKGPDAPY-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534579 246194913 /nfs/dbraw/zinc/19/49/13/246194913.db2.gz QMRWYJUTMFIDJZ-QAPCUYQASA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419536467 246196044 /nfs/dbraw/zinc/19/60/44/246196044.db2.gz ULDPUTCXNXXOMY-YSHGAJCASA-N 2 1 370.497 0.691 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000419635244 246224181 /nfs/dbraw/zinc/22/41/81/246224181.db2.gz CRRGHEUTXCSWTA-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000419650364 246231576 /nfs/dbraw/zinc/23/15/76/246231576.db2.gz CVDMDZNQPPPXCI-OWYHZJEWSA-N 2 1 370.497 0.976 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419720053 246269603 /nfs/dbraw/zinc/26/96/03/246269603.db2.gz DIHOLKTUAFKENU-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419701913 246258749 /nfs/dbraw/zinc/25/87/49/246258749.db2.gz BLDPJDWPTXOPBM-CYGHRXIMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000419704423 246259114 /nfs/dbraw/zinc/25/91/14/246259114.db2.gz GMKHFPLHEUVVAG-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419722780 246270380 /nfs/dbraw/zinc/27/03/80/246270380.db2.gz MYEBNOKRZZCDAU-GFCCVEGCSA-N 2 1 368.428 0.899 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000419707854 246261514 /nfs/dbraw/zinc/26/15/14/246261514.db2.gz MJHWRTUDNPEHHJ-BLIXFSHQSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419712836 246265638 /nfs/dbraw/zinc/26/56/38/246265638.db2.gz UMOOEPGUMSFAHM-MAUKXSAKSA-N 2 1 356.470 0.802 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000419714390 246266195 /nfs/dbraw/zinc/26/61/95/246266195.db2.gz XUQAXFWAERWFCZ-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754157 246284225 /nfs/dbraw/zinc/28/42/25/246284225.db2.gz BQGOPUPJBBOBMK-CZUORRHYSA-N 2 1 350.438 0.630 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419755539 246286933 /nfs/dbraw/zinc/28/69/33/246286933.db2.gz DJQSWCZHNHHEAQ-CVEARBPZSA-N 2 1 362.449 0.442 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419762373 246289870 /nfs/dbraw/zinc/28/98/70/246289870.db2.gz RVJWDLVZIUAQLI-LJQANCHMSA-N 2 1 364.465 0.880 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419769095 246290539 /nfs/dbraw/zinc/29/05/39/246290539.db2.gz DACMQGRNUVCVIX-IHRRRGAJSA-N 2 1 354.495 0.452 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419805692 246301647 /nfs/dbraw/zinc/30/16/47/246301647.db2.gz QLGZBJPWTVJLEG-UHFFFAOYSA-N 2 1 368.522 0.581 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419728218 246274602 /nfs/dbraw/zinc/27/46/02/246274602.db2.gz XWXZKJGWNPESJT-UHFFFAOYSA-N 2 1 354.401 0.381 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419840593 246315084 /nfs/dbraw/zinc/31/50/84/246315084.db2.gz DJQVAXWLBGSVOU-GASCZTMLSA-N 2 1 354.495 0.060 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000419843763 246316535 /nfs/dbraw/zinc/31/65/35/246316535.db2.gz BGCXWGUEILDNRM-DLBZAZTESA-N 2 1 359.474 0.230 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419841688 246317210 /nfs/dbraw/zinc/31/72/10/246317210.db2.gz KOLPHGASOIAYRE-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419854435 246324168 /nfs/dbraw/zinc/32/41/68/246324168.db2.gz GNFRTOKXVWTXQH-QRVBRYPASA-N 2 1 370.497 0.693 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419857961 246328217 /nfs/dbraw/zinc/32/82/17/246328217.db2.gz KRQCERRFUDDPNG-HNNXBMFYSA-N 2 1 364.515 0.551 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419876821 246343218 /nfs/dbraw/zinc/34/32/18/246343218.db2.gz IHCLZYQLPDNQHG-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419886706 246351641 /nfs/dbraw/zinc/35/16/41/246351641.db2.gz CKCYCXKFZCNNAU-KRWDZBQOSA-N 2 1 374.485 0.598 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419886706 246351645 /nfs/dbraw/zinc/35/16/45/246351645.db2.gz CKCYCXKFZCNNAU-KRWDZBQOSA-N 2 1 374.485 0.598 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419892760 246354451 /nfs/dbraw/zinc/35/44/51/246354451.db2.gz JTLASVMTWRGEQO-QZTJIDSGSA-N 2 1 358.486 0.759 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419892758 246354489 /nfs/dbraw/zinc/35/44/89/246354489.db2.gz JTLASVMTWRGEQO-MSOLQXFVSA-N 2 1 358.486 0.759 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419903463 246359558 /nfs/dbraw/zinc/35/95/58/246359558.db2.gz WTHJFLJEUDBGSN-UHFFFAOYSA-N 2 1 358.486 0.837 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H]1CC ZINC000419942057 246380454 /nfs/dbraw/zinc/38/04/54/246380454.db2.gz YUZNCFCDECFWRD-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H]1CC ZINC000419942057 246380463 /nfs/dbraw/zinc/38/04/63/246380463.db2.gz YUZNCFCDECFWRD-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419971895 246396043 /nfs/dbraw/zinc/39/60/43/246396043.db2.gz FPPHEQKIUQCIDP-HNNXBMFYSA-N 2 1 352.504 0.534 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000419979795 246399780 /nfs/dbraw/zinc/39/97/80/246399780.db2.gz QKFVAOYWUJNSPF-GOEBONIOSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000419979795 246399788 /nfs/dbraw/zinc/39/97/88/246399788.db2.gz QKFVAOYWUJNSPF-GOEBONIOSA-N 2 1 368.522 0.314 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000423137885 246968407 /nfs/dbraw/zinc/96/84/07/246968407.db2.gz XDXRMZOAZLXMIP-ZWKOTPCHSA-N 2 1 356.470 0.494 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423372233 247014456 /nfs/dbraw/zinc/01/44/56/247014456.db2.gz ICMYISNCWFOIHL-WMZOPIPTSA-N 2 1 374.485 0.296 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423375042 247014889 /nfs/dbraw/zinc/01/48/89/247014889.db2.gz IPUXSKPQRVHTBD-CALCHBBNSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423380236 247015115 /nfs/dbraw/zinc/01/51/15/247015115.db2.gz NKVGCPWIQGYXLU-IAGOWNOFSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@@H]1C ZINC000423391137 247018018 /nfs/dbraw/zinc/01/80/18/247018018.db2.gz PJJNBZYYTQYLHX-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@@H]1C ZINC000423391137 247018023 /nfs/dbraw/zinc/01/80/23/247018023.db2.gz PJJNBZYYTQYLHX-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423557778 247051550 /nfs/dbraw/zinc/05/15/50/247051550.db2.gz COIJRHCSGZXWRJ-PXNSSMCTSA-N 2 1 374.485 0.032 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558895 247051746 /nfs/dbraw/zinc/05/17/46/247051746.db2.gz LOCFGNXXQKFUND-OALUTQOASA-N 2 1 370.497 0.931 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423438659 247028097 /nfs/dbraw/zinc/02/80/97/247028097.db2.gz HCWNMWUWLHZBSZ-WNRNVDISSA-N 2 1 362.518 0.763 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423445574 247028463 /nfs/dbraw/zinc/02/84/63/247028463.db2.gz MUCIHXIISQDSOE-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423489485 247035035 /nfs/dbraw/zinc/03/50/35/247035035.db2.gz XEYCZJSSVOSTLZ-OKZBNKHCSA-N 2 1 356.470 0.384 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423497224 247038301 /nfs/dbraw/zinc/03/83/01/247038301.db2.gz YMBKVVUXSIDMOI-ZWKOTPCHSA-N 2 1 369.469 0.993 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423496431 247038457 /nfs/dbraw/zinc/03/84/57/247038457.db2.gz DUBSGUIWWPHXOV-IYBDPMFKSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000423533989 247043044 /nfs/dbraw/zinc/04/30/44/247043044.db2.gz ZCIGBTDEENNMME-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000423533989 247043053 /nfs/dbraw/zinc/04/30/53/247043053.db2.gz ZCIGBTDEENNMME-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423534059 247043394 /nfs/dbraw/zinc/04/33/94/247043394.db2.gz ZIJBVIXJRSAMHN-BRWVUGGUSA-N 2 1 368.522 0.389 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423534059 247043398 /nfs/dbraw/zinc/04/33/98/247043398.db2.gz ZIJBVIXJRSAMHN-BRWVUGGUSA-N 2 1 368.522 0.389 20 0 FCADMP CN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423673877 247105491 /nfs/dbraw/zinc/10/54/91/247105491.db2.gz CDXBFSSGUXNNKC-SFHVURJKSA-N 2 1 358.486 0.582 20 0 FCADMP CN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423673877 247105494 /nfs/dbraw/zinc/10/54/94/247105494.db2.gz CDXBFSSGUXNNKC-SFHVURJKSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423680512 247106201 /nfs/dbraw/zinc/10/62/01/247106201.db2.gz MPAWFGCBILEVFA-INMHGKMJSA-N 2 1 366.506 0.426 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423680511 247106490 /nfs/dbraw/zinc/10/64/90/247106490.db2.gz MPAWFGCBILEVFA-HLLBOEOZSA-N 2 1 366.506 0.426 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000423681451 247107214 /nfs/dbraw/zinc/10/72/14/247107214.db2.gz NHRNUQFBURAMQU-GDBMZVCRSA-N 2 1 361.490 0.930 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[C@@H](C)C[NH2+]1 ZINC000423659551 247100045 /nfs/dbraw/zinc/10/00/45/247100045.db2.gz ZNNCPQHROLFSLW-GJZGRUSLSA-N 2 1 350.463 0.769 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)C2)C1 ZINC000423664869 247100898 /nfs/dbraw/zinc/10/08/98/247100898.db2.gz GYMPPRBGEHRGDI-FQEVSTJZSA-N 2 1 358.486 0.918 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000423666508 247101065 /nfs/dbraw/zinc/10/10/65/247101065.db2.gz MJAPGXPHTNAZCB-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000423666635 247101332 /nfs/dbraw/zinc/10/13/32/247101332.db2.gz KDZBIGUWNCNBPH-QFBILLFUSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000423666635 247101336 /nfs/dbraw/zinc/10/13/36/247101336.db2.gz KDZBIGUWNCNBPH-QFBILLFUSA-N 2 1 372.513 0.958 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423745019 247137860 /nfs/dbraw/zinc/13/78/60/247137860.db2.gz NEYIJVZCJSILHP-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000423702002 247115332 /nfs/dbraw/zinc/11/53/32/247115332.db2.gz XOIACJOMQDUCEQ-GVDBMIGSSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000423702002 247115338 /nfs/dbraw/zinc/11/53/38/247115338.db2.gz XOIACJOMQDUCEQ-GVDBMIGSSA-N 2 1 368.522 0.674 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423703186 247115482 /nfs/dbraw/zinc/11/54/82/247115482.db2.gz ZROCMZUJBGUMLI-ILXRZTDVSA-N 2 1 354.495 0.018 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423703186 247115485 /nfs/dbraw/zinc/11/54/85/247115485.db2.gz ZROCMZUJBGUMLI-ILXRZTDVSA-N 2 1 354.495 0.018 20 0 FCADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH2+]CC2 ZINC000424291363 247196108 /nfs/dbraw/zinc/19/61/08/247196108.db2.gz NQZLBJTVFHKINC-HNNXBMFYSA-N 2 1 374.485 0.631 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000424491767 247238546 /nfs/dbraw/zinc/23/85/46/247238546.db2.gz FQLRJPBJFGLTCT-OAHLLOKOSA-N 2 1 354.495 0.143 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424495178 247240183 /nfs/dbraw/zinc/24/01/83/247240183.db2.gz PPSUFHUMFGELAB-RYQLBKOJSA-N 2 1 356.470 0.540 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000424496653 247241838 /nfs/dbraw/zinc/24/18/38/247241838.db2.gz UVUHIEVTIXFWCI-AWEZNQCLSA-N 2 1 354.495 0.141 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424522066 247250151 /nfs/dbraw/zinc/25/01/51/247250151.db2.gz MMWAZTHZVUYVNU-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000424526198 247253335 /nfs/dbraw/zinc/25/33/35/247253335.db2.gz RMUIQHZCOLIVCE-UHFFFAOYSA-N 2 1 354.495 0.333 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000424552301 247261443 /nfs/dbraw/zinc/26/14/43/247261443.db2.gz XKZSWSZYDSTKTC-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425386228 247330404 /nfs/dbraw/zinc/33/04/04/247330404.db2.gz LSRYCUUWCTYVQU-ZWKOTPCHSA-N 2 1 358.486 0.739 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430538639 247706633 /nfs/dbraw/zinc/70/66/33/247706633.db2.gz CHRUUTZHBGHWOK-UHFFFAOYSA-N 2 1 370.475 0.102 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000436045443 248029691 /nfs/dbraw/zinc/02/96/91/248029691.db2.gz APUPVQRHNHOQKW-CQSZACIVSA-N 2 1 365.478 0.171 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000440091664 248155753 /nfs/dbraw/zinc/15/57/53/248155753.db2.gz YIVDHWDMODZPOQ-INIZCTEOSA-N 2 1 355.527 0.911 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000440794934 248215537 /nfs/dbraw/zinc/21/55/37/248215537.db2.gz HMEYDUFEVOCOLT-GPANFISMSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N1CCSCC1 ZINC000442656223 248294202 /nfs/dbraw/zinc/29/42/02/248294202.db2.gz WAXKIRNNCWAXCC-CABCVRRESA-N 2 1 356.536 0.483 20 0 FCADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCSCC1 ZINC000442656223 248294205 /nfs/dbraw/zinc/29/42/05/248294205.db2.gz WAXKIRNNCWAXCC-CABCVRRESA-N 2 1 356.536 0.483 20 0 FCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000445150061 248374309 /nfs/dbraw/zinc/37/43/09/248374309.db2.gz HHIVWUJJCOXSCT-INIZCTEOSA-N 2 1 367.538 0.995 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000445150061 248374310 /nfs/dbraw/zinc/37/43/10/248374310.db2.gz HHIVWUJJCOXSCT-INIZCTEOSA-N 2 1 367.538 0.995 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000445150061 248374311 /nfs/dbraw/zinc/37/43/11/248374311.db2.gz HHIVWUJJCOXSCT-INIZCTEOSA-N 2 1 367.538 0.995 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c2ccccc2)CC1 ZINC000452345736 249307372 /nfs/dbraw/zinc/30/73/72/249307372.db2.gz FNJVKMJIIVXNJC-WOJBJXKFSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)c2ccccc2)CC1 ZINC000452345736 249307375 /nfs/dbraw/zinc/30/73/75/249307375.db2.gz FNJVKMJIIVXNJC-WOJBJXKFSA-N 2 1 374.529 0.938 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000452566569 249322433 /nfs/dbraw/zinc/32/24/33/249322433.db2.gz XWFUVODJJRCBTI-UGUYLWEFSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000452566569 249322437 /nfs/dbraw/zinc/32/24/37/249322437.db2.gz XWFUVODJJRCBTI-UGUYLWEFSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000452566569 249322440 /nfs/dbraw/zinc/32/24/40/249322440.db2.gz XWFUVODJJRCBTI-UGUYLWEFSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000452982239 249339744 /nfs/dbraw/zinc/33/97/44/249339744.db2.gz XYMBDXBFXUBGED-YPLQCARHSA-N 2 1 362.518 0.584 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452982239 249339746 /nfs/dbraw/zinc/33/97/46/249339746.db2.gz XYMBDXBFXUBGED-YPLQCARHSA-N 2 1 362.518 0.584 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452982239 249339750 /nfs/dbraw/zinc/33/97/50/249339750.db2.gz XYMBDXBFXUBGED-YPLQCARHSA-N 2 1 362.518 0.584 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270664001 211242656 /nfs/dbraw/zinc/24/26/56/211242656.db2.gz KPIVVPCVPHKHSN-GOSISDBHSA-N 2 1 373.501 0.772 20 0 FCADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000470009096 250021831 /nfs/dbraw/zinc/02/18/31/250021831.db2.gz PBSKHHXHGDFKQV-HNNXBMFYSA-N 2 1 365.478 0.350 20 0 FCADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007386 250021028 /nfs/dbraw/zinc/02/10/28/250021028.db2.gz BJGPXUFQWVZRQI-ZBFHGGJFSA-N 2 1 363.458 0.914 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cn2)CC1 ZINC000470372209 250038597 /nfs/dbraw/zinc/03/85/97/250038597.db2.gz IBKRCGXIMSNAKQ-UHFFFAOYSA-N 2 1 368.441 0.513 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470887286 250069553 /nfs/dbraw/zinc/06/95/53/250069553.db2.gz CARDWPCANYSVOG-DLBZAZTESA-N 2 1 365.522 0.701 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964909 250082301 /nfs/dbraw/zinc/08/23/01/250082301.db2.gz BVBNHXQLIGHFOB-QGZVFWFLSA-N 2 1 362.518 0.731 20 0 FCADMP Cn1c2ncn(CC[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976937 250082894 /nfs/dbraw/zinc/08/28/94/250082894.db2.gz MEKTZVRBZIRNJV-OAHLLOKOSA-N 2 1 374.489 0.097 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976937 250082898 /nfs/dbraw/zinc/08/28/98/250082898.db2.gz MEKTZVRBZIRNJV-OAHLLOKOSA-N 2 1 374.489 0.097 20 0 FCADMP Cn1c2ncn(CC[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976937 250082902 /nfs/dbraw/zinc/08/29/02/250082902.db2.gz MEKTZVRBZIRNJV-OAHLLOKOSA-N 2 1 374.489 0.097 20 0 FCADMP Cn1c2ncn(CC[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976937 250082906 /nfs/dbraw/zinc/08/29/06/250082906.db2.gz MEKTZVRBZIRNJV-OAHLLOKOSA-N 2 1 374.489 0.097 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000471644240 250112208 /nfs/dbraw/zinc/11/22/08/250112208.db2.gz UMXBSDIFOWSVMY-IXDOHACOSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000471644240 250112212 /nfs/dbraw/zinc/11/22/12/250112212.db2.gz UMXBSDIFOWSVMY-IXDOHACOSA-N 2 1 356.511 0.848 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000472110642 250130874 /nfs/dbraw/zinc/13/08/74/250130874.db2.gz NVFUYGXPCUGQAQ-UHFFFAOYSA-N 2 1 355.527 0.914 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CO)C[C@H](O)c3ccccc3)cn2)CC1 ZINC000269915956 211116821 /nfs/dbraw/zinc/11/68/21/211116821.db2.gz JPVFFWQOANCCPO-OALUTQOASA-N 2 1 371.485 0.803 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000472918062 250188750 /nfs/dbraw/zinc/18/87/50/250188750.db2.gz LROOEJILCJVOQF-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP CC(C)N(CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000473021331 250195388 /nfs/dbraw/zinc/19/53/88/250195388.db2.gz IWSMJLYTINTNPX-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)N(CCOCCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000473021331 250195391 /nfs/dbraw/zinc/19/53/91/250195391.db2.gz IWSMJLYTINTNPX-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)N(CCOCCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000473021331 250195394 /nfs/dbraw/zinc/19/53/94/250195394.db2.gz IWSMJLYTINTNPX-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084907 250270359 /nfs/dbraw/zinc/27/03/59/250270359.db2.gz ZWVUTQUVYYWQGN-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)N1CC[NH+](C)CC1 ZINC000481018338 250309473 /nfs/dbraw/zinc/30/94/73/250309473.db2.gz DPZINDSRKNULCE-SJLPKXTDSA-N 2 1 371.595 0.995 20 0 FCADMP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)CN1CC[NH+](C)CC1 ZINC000481697200 250349832 /nfs/dbraw/zinc/34/98/32/250349832.db2.gz PHWOLYJXRARBCK-DOTOQJQBSA-N 2 1 357.568 0.606 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000481769106 250357456 /nfs/dbraw/zinc/35/74/56/250357456.db2.gz JMOCNYNFEQQRFT-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000481769106 250357461 /nfs/dbraw/zinc/35/74/61/250357461.db2.gz JMOCNYNFEQQRFT-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000481769106 250357463 /nfs/dbraw/zinc/35/74/63/250357463.db2.gz JMOCNYNFEQQRFT-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1OC ZINC000269678606 211042336 /nfs/dbraw/zinc/04/23/36/211042336.db2.gz HTHOPESWGWFZAH-AWEZNQCLSA-N 2 1 366.462 0.235 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413049652 532992467 /nfs/dbraw/zinc/99/24/67/532992467.db2.gz UTFUHMVFAFXLEK-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+](C)C1 ZINC000413253050 532993766 /nfs/dbraw/zinc/99/37/66/532993766.db2.gz TZHMVQBRSGEYOG-JKSUJKDBSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253050 532993770 /nfs/dbraw/zinc/99/37/70/532993770.db2.gz TZHMVQBRSGEYOG-JKSUJKDBSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253050 532993774 /nfs/dbraw/zinc/99/37/74/532993774.db2.gz TZHMVQBRSGEYOG-JKSUJKDBSA-N 2 1 354.495 0.853 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216235 208293657 /nfs/dbraw/zinc/29/36/57/208293657.db2.gz MFFODABXOFVUIK-MSOLQXFVSA-N 2 1 368.522 0.851 20 0 FCADMP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000118971194 208353877 /nfs/dbraw/zinc/35/38/77/208353877.db2.gz BYCZTXLRTRZZOO-HNNXBMFYSA-N 2 1 362.474 0.942 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000177049008 209014671 /nfs/dbraw/zinc/01/46/71/209014671.db2.gz CZISCTBVTNDPQT-INIZCTEOSA-N 2 1 364.465 0.784 20 0 FCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000178675974 209058747 /nfs/dbraw/zinc/05/87/47/209058747.db2.gz XFJRNJGZPLAONG-AWEZNQCLSA-N 2 1 353.488 0.905 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173952914 229213356 /nfs/dbraw/zinc/21/33/56/229213356.db2.gz ZMTGQYAZONHREL-UHFFFAOYSA-N 2 1 365.526 0.934 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173952914 229213358 /nfs/dbraw/zinc/21/33/58/229213358.db2.gz ZMTGQYAZONHREL-UHFFFAOYSA-N 2 1 365.526 0.934 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188442875 229247594 /nfs/dbraw/zinc/24/75/94/229247594.db2.gz DAKIKFZCYVTHAO-MRXNPFEDSA-N 2 1 370.538 0.974 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000410954964 230323563 /nfs/dbraw/zinc/32/35/63/230323563.db2.gz QHNWFZFLOFLBTI-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CCOC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000932623545 674204516 /nfs/dbraw/zinc/20/45/16/674204516.db2.gz ZYRKFYXXZKEXLT-ZFWWWQNUSA-N 2 1 370.519 0.803 20 0 FCADMP CCOC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932623545 674204524 /nfs/dbraw/zinc/20/45/24/674204524.db2.gz ZYRKFYXXZKEXLT-ZFWWWQNUSA-N 2 1 370.519 0.803 20 0 FCADMP CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000932623543 674204602 /nfs/dbraw/zinc/20/46/02/674204602.db2.gz ZYRKFYXXZKEXLT-HIFRSBDPSA-N 2 1 370.519 0.803 20 0 FCADMP CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932623543 674204608 /nfs/dbraw/zinc/20/46/08/674204608.db2.gz ZYRKFYXXZKEXLT-HIFRSBDPSA-N 2 1 370.519 0.803 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949888 674230910 /nfs/dbraw/zinc/23/09/10/674230910.db2.gz QARPYNWXVAQTHX-IAGOWNOFSA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949888 674230912 /nfs/dbraw/zinc/23/09/12/674230912.db2.gz QARPYNWXVAQTHX-IAGOWNOFSA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000932949888 674230914 /nfs/dbraw/zinc/23/09/14/674230914.db2.gz QARPYNWXVAQTHX-IAGOWNOFSA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000932949888 674230917 /nfs/dbraw/zinc/23/09/17/674230917.db2.gz QARPYNWXVAQTHX-IAGOWNOFSA-N 2 1 353.488 0.234 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000933849256 674276643 /nfs/dbraw/zinc/27/66/43/674276643.db2.gz GPCLXWJXSJEUNV-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000525882862 484089259 /nfs/dbraw/zinc/08/92/59/484089259.db2.gz HHOABQBWPTXIOS-UHFFFAOYSA-N 2 1 373.461 0.158 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000533321748 484202338 /nfs/dbraw/zinc/20/23/38/484202338.db2.gz QLFKFWWSBRZDCX-CQSZACIVSA-N 2 1 350.467 0.230 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794822 491189366 /nfs/dbraw/zinc/18/93/66/491189366.db2.gz ROFRKPBQTBQOEL-HIFRSBDPSA-N 2 1 351.520 0.779 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794822 491189368 /nfs/dbraw/zinc/18/93/68/491189368.db2.gz ROFRKPBQTBQOEL-HIFRSBDPSA-N 2 1 351.520 0.779 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312940339 488896000 /nfs/dbraw/zinc/89/60/00/488896000.db2.gz PNNORQYBMFQVTG-MOPGFXCFSA-N 2 1 370.497 0.789 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000364281681 488943282 /nfs/dbraw/zinc/94/32/82/488943282.db2.gz VWUYBTXANMCEAY-OALUTQOASA-N 2 1 360.502 0.812 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000052133780 488158870 /nfs/dbraw/zinc/15/88/70/488158870.db2.gz MHWCUSNXKMZZMP-MRXNPFEDSA-N 2 1 374.551 0.381 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000052133780 488158873 /nfs/dbraw/zinc/15/88/73/488158873.db2.gz MHWCUSNXKMZZMP-MRXNPFEDSA-N 2 1 374.551 0.381 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000072802482 488382715 /nfs/dbraw/zinc/38/27/15/488382715.db2.gz NOUXDFQBDYKYGK-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000073594088 488384929 /nfs/dbraw/zinc/38/49/29/488384929.db2.gz JWSSWRHHJHEBAC-QGZVFWFLSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586396 488384982 /nfs/dbraw/zinc/38/49/82/488384982.db2.gz QQDBCEDPBHRCCC-KURKYZTESA-N 2 1 369.554 0.668 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000183218135 488391624 /nfs/dbraw/zinc/39/16/24/488391624.db2.gz HUVAVFHXYWOWGV-HUUCEWRRSA-N 2 1 350.463 0.549 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000183218135 488391626 /nfs/dbraw/zinc/39/16/26/488391626.db2.gz HUVAVFHXYWOWGV-HUUCEWRRSA-N 2 1 350.463 0.549 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185606735 488401506 /nfs/dbraw/zinc/40/15/06/488401506.db2.gz YQXDTKUQWCUCIJ-QGZVFWFLSA-N 2 1 368.570 0.338 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000189998251 488416500 /nfs/dbraw/zinc/41/65/00/488416500.db2.gz QJSPJHXWGNIWKB-ZBFHGGJFSA-N 2 1 352.479 0.311 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000189998251 488416502 /nfs/dbraw/zinc/41/65/02/488416502.db2.gz QJSPJHXWGNIWKB-ZBFHGGJFSA-N 2 1 352.479 0.311 20 0 FCADMP CC[N@@H+](CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C1CC1 ZINC000192585870 488422922 /nfs/dbraw/zinc/42/29/22/488422922.db2.gz NEGRHHODMSLEQA-UHFFFAOYSA-N 2 1 357.524 0.824 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000192802701 488424723 /nfs/dbraw/zinc/42/47/23/488424723.db2.gz NHDZZQCMEKLBOA-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000569843003 491197512 /nfs/dbraw/zinc/19/75/12/491197512.db2.gz RRCHTMOOOYLMLD-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000569843003 491197515 /nfs/dbraw/zinc/19/75/15/491197515.db2.gz RRCHTMOOOYLMLD-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000569843003 491197519 /nfs/dbraw/zinc/19/75/19/491197519.db2.gz RRCHTMOOOYLMLD-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079432827 488429593 /nfs/dbraw/zinc/42/95/93/488429593.db2.gz HZMPSPNPXCLIOM-OAHLLOKOSA-N 2 1 365.522 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079432827 488429594 /nfs/dbraw/zinc/42/95/94/488429594.db2.gz HZMPSPNPXCLIOM-OAHLLOKOSA-N 2 1 365.522 0.761 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000195140790 488435666 /nfs/dbraw/zinc/43/56/66/488435666.db2.gz HWRYQAGGDCEWKL-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961962 488459485 /nfs/dbraw/zinc/45/94/85/488459485.db2.gz JTFIICOJERMFCJ-MOPGFXCFSA-N 2 1 360.502 0.376 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000091598508 488465566 /nfs/dbraw/zinc/46/55/66/488465566.db2.gz MNORVUMYNDXVFI-CQSZACIVSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000091598508 488465568 /nfs/dbraw/zinc/46/55/68/488465568.db2.gz MNORVUMYNDXVFI-CQSZACIVSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000246141030 488470115 /nfs/dbraw/zinc/47/01/15/488470115.db2.gz SBNVPGNDIZMODJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000246141030 488470117 /nfs/dbraw/zinc/47/01/17/488470117.db2.gz SBNVPGNDIZMODJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000246141030 488470119 /nfs/dbraw/zinc/47/01/19/488470119.db2.gz SBNVPGNDIZMODJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000246141030 488470120 /nfs/dbraw/zinc/47/01/20/488470120.db2.gz SBNVPGNDIZMODJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246773269 488475720 /nfs/dbraw/zinc/47/57/20/488475720.db2.gz OHAMIXMWNOTAQZ-WOJBJXKFSA-N 2 1 366.550 0.295 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000269242804 488481758 /nfs/dbraw/zinc/48/17/58/488481758.db2.gz RXDPQTISNSXWJT-GOSISDBHSA-N 2 1 362.474 0.947 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000269288952 488487318 /nfs/dbraw/zinc/48/73/18/488487318.db2.gz JUTQDOVWOXXJOF-INIZCTEOSA-N 2 1 362.474 0.264 20 0 FCADMP [NH3+]C[C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000269293921 488487959 /nfs/dbraw/zinc/48/79/59/488487959.db2.gz MSNZIKBNJFRHAZ-GOSISDBHSA-N 2 1 368.485 0.847 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000269309462 488489988 /nfs/dbraw/zinc/48/99/88/488489988.db2.gz VYWNZRGKJDLYJS-IBGZPJMESA-N 2 1 360.502 0.819 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248542524 488498219 /nfs/dbraw/zinc/49/82/19/488498219.db2.gz BYTZKGRFDWDVAH-UGUYLWEFSA-N 2 1 371.547 0.921 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248542524 488498221 /nfs/dbraw/zinc/49/82/21/488498221.db2.gz BYTZKGRFDWDVAH-UGUYLWEFSA-N 2 1 371.547 0.921 20 0 FCADMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649508 488500232 /nfs/dbraw/zinc/50/02/32/488500232.db2.gz LFJONWBYHWREFG-ZWKOTPCHSA-N 2 1 373.501 0.559 20 0 FCADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649508 488500235 /nfs/dbraw/zinc/50/02/35/488500235.db2.gz LFJONWBYHWREFG-ZWKOTPCHSA-N 2 1 373.501 0.559 20 0 FCADMP CC(C)[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000104801050 488506047 /nfs/dbraw/zinc/50/60/47/488506047.db2.gz ILQNTUYBVLVRBD-MRXNPFEDSA-N 2 1 355.527 0.992 20 0 FCADMP C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000249420248 488509953 /nfs/dbraw/zinc/50/99/53/488509953.db2.gz HHWXAJVABOWNLQ-JCECYMMASA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000249420248 488509955 /nfs/dbraw/zinc/50/99/55/488509955.db2.gz HHWXAJVABOWNLQ-JCECYMMASA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000249420248 488509956 /nfs/dbraw/zinc/50/99/56/488509956.db2.gz HHWXAJVABOWNLQ-JCECYMMASA-N 2 1 364.534 0.785 20 0 FCADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)COC1CCOCC1 ZINC000563011644 491207818 /nfs/dbraw/zinc/20/78/18/491207818.db2.gz NFINADRONMZJMY-RBUKOAKNSA-N 2 1 364.486 0.899 20 0 FCADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000261636765 488528570 /nfs/dbraw/zinc/52/85/70/488528570.db2.gz BRSVAGYAQXGBDZ-MRXNPFEDSA-N 2 1 361.490 0.928 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261646732 488528839 /nfs/dbraw/zinc/52/88/39/488528839.db2.gz ADDCTYMPVRBUTI-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000111493347 488529414 /nfs/dbraw/zinc/52/94/14/488529414.db2.gz FRNZZYAQVXLOCC-IKGGRYGDSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000111493347 488529417 /nfs/dbraw/zinc/52/94/17/488529417.db2.gz FRNZZYAQVXLOCC-IKGGRYGDSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000111493347 488529418 /nfs/dbraw/zinc/52/94/18/488529418.db2.gz FRNZZYAQVXLOCC-IKGGRYGDSA-N 2 1 367.538 0.993 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261682712 488530329 /nfs/dbraw/zinc/53/03/29/488530329.db2.gz HAPLJEINEIZACU-UAGQMJEPSA-N 2 1 360.458 0.829 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261703230 488531948 /nfs/dbraw/zinc/53/19/48/488531948.db2.gz IHIDZGNMOCDPQH-SJORKVTESA-N 2 1 360.458 0.197 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000111865035 488532328 /nfs/dbraw/zinc/53/23/28/488532328.db2.gz GWXHNUBPDYCQRA-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747564 488534034 /nfs/dbraw/zinc/53/40/34/488534034.db2.gz KZWYSSGNSZGLEK-QGZVFWFLSA-N 2 1 368.503 0.054 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881475 488539983 /nfs/dbraw/zinc/53/99/83/488539983.db2.gz PFFQCBZGWPIHTG-YOEHRIQHSA-N 2 1 362.518 0.871 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881475 488539988 /nfs/dbraw/zinc/53/99/88/488539988.db2.gz PFFQCBZGWPIHTG-YOEHRIQHSA-N 2 1 362.518 0.871 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881474 488540093 /nfs/dbraw/zinc/54/00/93/488540093.db2.gz PFFQCBZGWPIHTG-WMLDXEAASA-N 2 1 362.518 0.871 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881474 488540094 /nfs/dbraw/zinc/54/00/94/488540094.db2.gz PFFQCBZGWPIHTG-WMLDXEAASA-N 2 1 362.518 0.871 20 0 FCADMP O=C(CNC(=O)[C@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261882207 488540229 /nfs/dbraw/zinc/54/02/29/488540229.db2.gz AKDJCSVVIMHANP-GOSISDBHSA-N 2 1 370.497 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892228 488540648 /nfs/dbraw/zinc/54/06/48/488540648.db2.gz CGPIAXZPKWDKGB-ZWKOTPCHSA-N 2 1 364.534 0.630 20 0 FCADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261919750 488542197 /nfs/dbraw/zinc/54/21/97/488542197.db2.gz KFIYJYXMANCNGE-IPMKNSEASA-N 2 1 364.534 0.677 20 0 FCADMP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)nc1 ZINC000261948955 488543181 /nfs/dbraw/zinc/54/31/81/488543181.db2.gz NZYQLXHYXPJEPP-KSZLIROESA-N 2 1 360.506 0.345 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2)CC1 ZINC000261982636 488544629 /nfs/dbraw/zinc/54/46/29/488544629.db2.gz CUULABJUSMRKPO-UXHICEINSA-N 2 1 371.529 0.481 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCN(CC[NH+]4CCCC4)CC3)cn2)CC1 ZINC000119529492 488557682 /nfs/dbraw/zinc/55/76/82/488557682.db2.gz PIAHXKKLLGEEPD-UHFFFAOYSA-N 2 1 373.549 0.442 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000119700231 488558538 /nfs/dbraw/zinc/55/85/38/488558538.db2.gz KEZYQKSYIPRRGR-GDBMZVCRSA-N 2 1 365.522 0.901 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000119700231 488558541 /nfs/dbraw/zinc/55/85/41/488558541.db2.gz KEZYQKSYIPRRGR-GDBMZVCRSA-N 2 1 365.522 0.901 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790742 488558644 /nfs/dbraw/zinc/55/86/44/488558644.db2.gz PFGXETMDNCNXFM-SJORKVTESA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790742 488558645 /nfs/dbraw/zinc/55/86/45/488558645.db2.gz PFGXETMDNCNXFM-SJORKVTESA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790742 488558646 /nfs/dbraw/zinc/55/86/46/488558646.db2.gz PFGXETMDNCNXFM-SJORKVTESA-N 2 1 367.538 0.851 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262235428 488558959 /nfs/dbraw/zinc/55/89/59/488558959.db2.gz KMYRHVFIRYNZLB-MNEFBYGVSA-N 2 1 361.486 0.925 20 0 FCADMP Cc1cccc(C(=O)N2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262249394 488559768 /nfs/dbraw/zinc/55/97/68/488559768.db2.gz WSUSYBGYRARPRJ-UHFFFAOYSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000120519496 488561833 /nfs/dbraw/zinc/56/18/33/488561833.db2.gz ZAYITMOPVYLZNO-IEBWSBKVSA-N 2 1 352.523 0.630 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308185 488563109 /nfs/dbraw/zinc/56/31/09/488563109.db2.gz YMXHBDJTUREVLT-IAGOWNOFSA-N 2 1 350.507 0.969 20 0 FCADMP CCOC(=O)C1CCC(O)(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000562988261 491206174 /nfs/dbraw/zinc/20/61/74/491206174.db2.gz VCXNHZGPAAXGFS-WUJZJPHMSA-N 2 1 369.506 0.648 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262419009 488569176 /nfs/dbraw/zinc/56/91/76/488569176.db2.gz QHYWKJYTVYGABJ-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262477298 488572363 /nfs/dbraw/zinc/57/23/63/488572363.db2.gz HKRJNIYTHWBUOS-RTBURBONSA-N 2 1 360.502 0.423 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1=O ZINC000262508929 488574075 /nfs/dbraw/zinc/57/40/75/488574075.db2.gz MIHMTKQMTQCBLF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000122062172 488574874 /nfs/dbraw/zinc/57/48/74/488574874.db2.gz FGTXGLRAQXSGJF-CABCVRRESA-N 2 1 362.478 0.326 20 0 FCADMP C[C@H](NC(=O)c1ccco1)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000122981779 488582139 /nfs/dbraw/zinc/58/21/39/488582139.db2.gz IBIHXPNHACVFJQ-AWEZNQCLSA-N 2 1 350.463 0.882 20 0 FCADMP C[C@H](NC(=O)c1ccco1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000122981779 488582141 /nfs/dbraw/zinc/58/21/41/488582141.db2.gz IBIHXPNHACVFJQ-AWEZNQCLSA-N 2 1 350.463 0.882 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000262637596 488583692 /nfs/dbraw/zinc/58/36/92/488583692.db2.gz QFZUWASOWOVTJW-GVDBMIGSSA-N 2 1 350.507 0.825 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[NH2+]CC3CC3)c2)C1 ZINC000262662537 488584983 /nfs/dbraw/zinc/58/49/83/488584983.db2.gz YYRUQXJKDJRGJN-SFHVURJKSA-N 2 1 358.486 1.000 20 0 FCADMP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262782155 488592893 /nfs/dbraw/zinc/59/28/93/488592893.db2.gz LKZZNLAJQNACMK-MRXNPFEDSA-N 2 1 354.882 0.942 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)CC1 ZINC000262791276 488593505 /nfs/dbraw/zinc/59/35/05/488593505.db2.gz ODKKTMPJFFIFMG-MRXNPFEDSA-N 2 1 354.495 0.143 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nocc1C ZINC000124623398 488594579 /nfs/dbraw/zinc/59/45/79/488594579.db2.gz OFFCWTSUKGQAMP-CQSZACIVSA-N 2 1 351.451 0.796 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000273048789 488628189 /nfs/dbraw/zinc/62/81/89/488628189.db2.gz FCACQOZZPCGJPR-FQEVSTJZSA-N 2 1 374.529 0.897 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000273048789 488628190 /nfs/dbraw/zinc/62/81/90/488628190.db2.gz FCACQOZZPCGJPR-FQEVSTJZSA-N 2 1 374.529 0.897 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000273048789 488628191 /nfs/dbraw/zinc/62/81/91/488628191.db2.gz FCACQOZZPCGJPR-FQEVSTJZSA-N 2 1 374.529 0.897 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079664 488629014 /nfs/dbraw/zinc/62/90/14/488629014.db2.gz SZEFVBBCHUDLOY-DLBZAZTESA-N 2 1 367.538 0.301 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435521 488673523 /nfs/dbraw/zinc/67/35/23/488673523.db2.gz CNRSFIJKFXUNOL-MSOLQXFVSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264435521 488673524 /nfs/dbraw/zinc/67/35/24/488673524.db2.gz CNRSFIJKFXUNOL-MSOLQXFVSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000264435521 488673527 /nfs/dbraw/zinc/67/35/27/488673527.db2.gz CNRSFIJKFXUNOL-MSOLQXFVSA-N 2 1 373.501 0.900 20 0 FCADMP Cc1ccc(NCCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)[nH+]c1 ZINC000264489389 488678858 /nfs/dbraw/zinc/67/88/58/488678858.db2.gz PFWWZJAWAYQDNC-OAHLLOKOSA-N 2 1 362.478 0.831 20 0 FCADMP Cc1ccc(NCCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)[nH+]c1 ZINC000264489389 488678860 /nfs/dbraw/zinc/67/88/60/488678860.db2.gz PFWWZJAWAYQDNC-OAHLLOKOSA-N 2 1 362.478 0.831 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(CN2C[C@H](CO)OC[C@@H]2C)c1 ZINC000138737026 488682959 /nfs/dbraw/zinc/68/29/59/488682959.db2.gz MQTJMFUKSVOMIA-OBMJPTGESA-N 2 1 364.486 0.850 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccsc1 ZINC000264538424 488683212 /nfs/dbraw/zinc/68/32/12/488683212.db2.gz AHDPHQKKNSAYRW-CABCVRRESA-N 2 1 367.519 0.990 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000274625660 488723932 /nfs/dbraw/zinc/72/39/32/488723932.db2.gz GSIDPDGDBWKJHT-UHFFFAOYSA-N 2 1 352.479 0.740 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000154030469 488737293 /nfs/dbraw/zinc/73/72/93/488737293.db2.gz KXCBSIXXZUYFEI-GOSISDBHSA-N 2 1 369.554 0.406 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155614959 488757512 /nfs/dbraw/zinc/75/75/12/488757512.db2.gz OCOSNZYGVHHJTH-WMZOPIPTSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155614959 488757513 /nfs/dbraw/zinc/75/75/13/488757513.db2.gz OCOSNZYGVHHJTH-WMZOPIPTSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155614959 488757515 /nfs/dbraw/zinc/75/75/15/488757515.db2.gz OCOSNZYGVHHJTH-WMZOPIPTSA-N 2 1 352.523 0.630 20 0 FCADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125502 488762565 /nfs/dbraw/zinc/76/25/65/488762565.db2.gz OLSGNXIGYHTLFN-IAGOWNOFSA-N 2 1 360.506 0.835 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000156352407 488764305 /nfs/dbraw/zinc/76/43/05/488764305.db2.gz ZGPSMWMWLBLGFP-ZWKOTPCHSA-N 2 1 368.522 0.728 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000156352162 488764462 /nfs/dbraw/zinc/76/44/62/488764462.db2.gz ZGPSMWMWLBLGFP-ROUUACIJSA-N 2 1 368.522 0.728 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154154 491222816 /nfs/dbraw/zinc/22/28/16/491222816.db2.gz PGGQQQYLWJZSFB-LLVKDONJSA-N 2 1 366.384 0.452 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)c1ccco1 ZINC000171607318 488824342 /nfs/dbraw/zinc/82/43/42/488824342.db2.gz NMJKWWVXVWTXLJ-UHFFFAOYSA-N 2 1 365.478 0.677 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000171658964 488825583 /nfs/dbraw/zinc/82/55/83/488825583.db2.gz OFUOXKHMOHKXEF-UHFFFAOYSA-N 2 1 352.504 0.754 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000171880353 488827914 /nfs/dbraw/zinc/82/79/14/488827914.db2.gz FQBLXSBPVUCJAB-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000171880353 488827915 /nfs/dbraw/zinc/82/79/15/488827915.db2.gz FQBLXSBPVUCJAB-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000172324057 488833050 /nfs/dbraw/zinc/83/30/50/488833050.db2.gz MJYUAUXQKNFKSH-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000172324057 488833051 /nfs/dbraw/zinc/83/30/51/488833051.db2.gz MJYUAUXQKNFKSH-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000172324057 488833052 /nfs/dbraw/zinc/83/30/52/488833052.db2.gz MJYUAUXQKNFKSH-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173219986 488841679 /nfs/dbraw/zinc/84/16/79/488841679.db2.gz XRPMXEOFQRGVOY-OAHLLOKOSA-N 2 1 352.398 0.679 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000173533146 488843259 /nfs/dbraw/zinc/84/32/59/488843259.db2.gz OGFQQSSMUSBETL-GOSISDBHSA-N 2 1 356.511 0.491 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000173818205 488845619 /nfs/dbraw/zinc/84/56/19/488845619.db2.gz SMPHHKZKKDJRTO-INIZCTEOSA-N 2 1 353.511 0.524 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000173818205 488845620 /nfs/dbraw/zinc/84/56/20/488845620.db2.gz SMPHHKZKKDJRTO-INIZCTEOSA-N 2 1 353.511 0.524 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)ccn2)C1 ZINC000174179343 488847963 /nfs/dbraw/zinc/84/79/63/488847963.db2.gz KWFOFRICCSYSPQ-CABCVRRESA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccnc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000174179343 488847964 /nfs/dbraw/zinc/84/79/64/488847964.db2.gz KWFOFRICCSYSPQ-CABCVRRESA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccnc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000174179343 488847965 /nfs/dbraw/zinc/84/79/65/488847965.db2.gz KWFOFRICCSYSPQ-CABCVRRESA-N 2 1 359.474 0.445 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175616853 488854594 /nfs/dbraw/zinc/85/45/94/488854594.db2.gz ARZWXBYKVAWLLS-UHFFFAOYSA-N 2 1 365.522 0.903 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000176131453 488857447 /nfs/dbraw/zinc/85/74/47/488857447.db2.gz NBMHSFJQNPNMSF-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178885585 488860598 /nfs/dbraw/zinc/86/05/98/488860598.db2.gz XUOKANIXMBWKKI-JKSUJKDBSA-N 2 1 358.552 0.320 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000179676863 488861596 /nfs/dbraw/zinc/86/15/96/488861596.db2.gz FDNZXMLDOFWZOX-UHFFFAOYSA-N 2 1 366.506 0.654 20 0 FCADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329334820 488994399 /nfs/dbraw/zinc/99/43/99/488994399.db2.gz KXMWMNUGYAGWSO-CRAIPNDOSA-N 2 1 353.507 0.933 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3COc4ccccc4[C@@H]3O)cn2)CC1 ZINC000288666809 489003460 /nfs/dbraw/zinc/00/34/60/489003460.db2.gz WDHHQMNNDUHPPY-WMZOPIPTSA-N 2 1 355.442 0.813 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211191 491227646 /nfs/dbraw/zinc/22/76/46/491227646.db2.gz OLKMZUVRMBBSGI-MDZRGWNJSA-N 2 1 350.507 0.825 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000364909408 489016536 /nfs/dbraw/zinc/01/65/36/489016536.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364909408 489016540 /nfs/dbraw/zinc/01/65/40/489016540.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364909408 489016543 /nfs/dbraw/zinc/01/65/43/489016543.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364909408 489016545 /nfs/dbraw/zinc/01/65/45/489016545.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364909408 489016546 /nfs/dbraw/zinc/01/65/46/489016546.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000289586946 489079298 /nfs/dbraw/zinc/07/92/98/489079298.db2.gz VMGINRHWZMIUEX-MOPGFXCFSA-N 2 1 372.513 0.960 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000289586952 489079584 /nfs/dbraw/zinc/07/95/84/489079584.db2.gz VMGINRHWZMIUEX-RBUKOAKNSA-N 2 1 372.513 0.960 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc2)CC1 ZINC000289763971 489091698 /nfs/dbraw/zinc/09/16/98/489091698.db2.gz ICTRDXJMRITOIT-WOJBJXKFSA-N 2 1 371.529 0.481 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000365661136 489097550 /nfs/dbraw/zinc/09/75/50/489097550.db2.gz IZQFSAHNRHOAIN-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000365661136 489097553 /nfs/dbraw/zinc/09/75/53/489097553.db2.gz IZQFSAHNRHOAIN-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000365661136 489097555 /nfs/dbraw/zinc/09/75/55/489097555.db2.gz IZQFSAHNRHOAIN-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CC[NH+](C)C ZINC000365661136 489097557 /nfs/dbraw/zinc/09/75/57/489097557.db2.gz IZQFSAHNRHOAIN-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CC[NH+](C)C ZINC000365661136 489097559 /nfs/dbraw/zinc/09/75/59/489097559.db2.gz IZQFSAHNRHOAIN-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365690107 489100874 /nfs/dbraw/zinc/10/08/74/489100874.db2.gz DBUICCSMHQIPCC-AHIWAGSCSA-N 2 1 350.467 0.305 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290033468 489109597 /nfs/dbraw/zinc/10/95/97/489109597.db2.gz UGCRQTIEWPRFMO-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290033468 489109598 /nfs/dbraw/zinc/10/95/98/489109598.db2.gz UGCRQTIEWPRFMO-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000290326502 489131407 /nfs/dbraw/zinc/13/14/07/489131407.db2.gz AFWUKTXWOQSRRS-MRXNPFEDSA-N 2 1 363.506 0.664 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000366012645 489134239 /nfs/dbraw/zinc/13/42/39/489134239.db2.gz FPANHOSNCNOALY-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000366166923 489153350 /nfs/dbraw/zinc/15/33/50/489153350.db2.gz CZJALXSTGHNITA-IEBWSBKVSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166923 489153353 /nfs/dbraw/zinc/15/33/53/489153353.db2.gz CZJALXSTGHNITA-IEBWSBKVSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166923 489153357 /nfs/dbraw/zinc/15/33/57/489153357.db2.gz CZJALXSTGHNITA-IEBWSBKVSA-N 2 1 351.539 0.996 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000297567800 489209375 /nfs/dbraw/zinc/20/93/75/489209375.db2.gz AVQJNBDCPUDYKL-UHFFFAOYSA-N 2 1 362.474 0.724 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000369479639 489243501 /nfs/dbraw/zinc/24/35/01/489243501.db2.gz BGHXRJILGQFEEW-NVXWUHKLSA-N 2 1 354.495 0.507 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000283515689 489269145 /nfs/dbraw/zinc/26/91/45/489269145.db2.gz IMFIMRMQQYEUST-QGZVFWFLSA-N 2 1 362.474 0.244 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820629 489279161 /nfs/dbraw/zinc/27/91/61/489279161.db2.gz CHSLUMQYJBPXJB-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000283613781 489281179 /nfs/dbraw/zinc/28/11/79/489281179.db2.gz QKRVVQJFNGHZHX-UHFFFAOYSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)n1C ZINC000284254504 489307017 /nfs/dbraw/zinc/30/70/17/489307017.db2.gz VVTLOEJGQLCILX-UHFFFAOYSA-N 2 1 372.473 0.480 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075992 489314135 /nfs/dbraw/zinc/31/41/35/489314135.db2.gz CWOKLWAJEMOTLA-SJLPKXTDSA-N 2 1 368.522 0.992 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370128116 489318468 /nfs/dbraw/zinc/31/84/68/489318468.db2.gz DINANQPESAKQIV-GVDBMIGSSA-N 2 1 352.479 0.213 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCn2cc[nH+]c2C)o1 ZINC000285969546 489339973 /nfs/dbraw/zinc/33/99/73/489339973.db2.gz RJOGOLVVETZMEH-UHFFFAOYSA-N 2 1 361.446 0.800 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000370569540 489376397 /nfs/dbraw/zinc/37/63/97/489376397.db2.gz OPBANOYMYJBPEP-ULQDDVLXSA-N 2 1 354.495 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000370569540 489376399 /nfs/dbraw/zinc/37/63/99/489376399.db2.gz OPBANOYMYJBPEP-ULQDDVLXSA-N 2 1 354.495 0.650 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000570583405 491251837 /nfs/dbraw/zinc/25/18/37/491251837.db2.gz GSSDUOIKYYNIPC-AEFFLSMTSA-N 2 1 360.502 0.876 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[NH+](C)C ZINC000299033542 489397778 /nfs/dbraw/zinc/39/77/78/489397778.db2.gz WFCTXZCKCNPILM-HNNXBMFYSA-N 2 1 361.490 0.833 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000563536470 491253553 /nfs/dbraw/zinc/25/35/53/491253553.db2.gz LRONTLKBFXZXFF-NWDGAFQWSA-N 2 1 362.478 0.420 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000363180392 489434240 /nfs/dbraw/zinc/43/42/40/489434240.db2.gz CPMKHRVEPKVRGI-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000363180392 489434243 /nfs/dbraw/zinc/43/42/43/489434243.db2.gz CPMKHRVEPKVRGI-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000363180392 489434245 /nfs/dbraw/zinc/43/42/45/489434245.db2.gz CPMKHRVEPKVRGI-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371027048 489440386 /nfs/dbraw/zinc/44/03/86/489440386.db2.gz FPIQXPKBWNKBJN-KRWDZBQOSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371027658 489440764 /nfs/dbraw/zinc/44/07/64/489440764.db2.gz JRALXNSLZCGDEU-GOSISDBHSA-N 2 1 367.538 0.376 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312868 489451168 /nfs/dbraw/zinc/45/11/68/489451168.db2.gz CBAIATIVQDZJKZ-KGLIPLIRSA-N 2 1 360.462 0.047 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312868 489451172 /nfs/dbraw/zinc/45/11/72/489451172.db2.gz CBAIATIVQDZJKZ-KGLIPLIRSA-N 2 1 360.462 0.047 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000287002992 489451364 /nfs/dbraw/zinc/45/13/64/489451364.db2.gz QGNUZFANMZFZIQ-UHFFFAOYSA-N 2 1 350.467 0.091 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000299538352 489453178 /nfs/dbraw/zinc/45/31/78/489453178.db2.gz ILRMUPQDVCRGJD-UHFFFAOYSA-N 2 1 367.519 0.914 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000563554193 491254879 /nfs/dbraw/zinc/25/48/79/491254879.db2.gz UQUXCZQUJPJYSK-HNNXBMFYSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000371195047 489465195 /nfs/dbraw/zinc/46/51/95/489465195.db2.gz HZFSWVMHAXSHSU-PMPSAXMXSA-N 2 1 361.490 0.787 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000371195047 489465196 /nfs/dbraw/zinc/46/51/96/489465196.db2.gz HZFSWVMHAXSHSU-PMPSAXMXSA-N 2 1 361.490 0.787 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371225175 489469032 /nfs/dbraw/zinc/46/90/32/489469032.db2.gz GVOTXSZTIRRPPK-ZWKOTPCHSA-N 2 1 369.554 0.622 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271461 489472379 /nfs/dbraw/zinc/47/23/79/489472379.db2.gz RATUODGLXANQPZ-APWZRJJASA-N 2 1 362.449 0.702 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000371527940 489486955 /nfs/dbraw/zinc/48/69/55/489486955.db2.gz YQENHUCITYOZGQ-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000371527944 489486967 /nfs/dbraw/zinc/48/69/67/489486967.db2.gz YQENHUCITYOZGQ-SQNIBIBYSA-N 2 1 358.486 0.611 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000570675338 491256934 /nfs/dbraw/zinc/25/69/34/491256934.db2.gz GTCRQWIWOUDMQX-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000423115962 489494157 /nfs/dbraw/zinc/49/41/57/489494157.db2.gz ZFVCXIZHDWBKEP-KBXIAJHMSA-N 2 1 351.413 0.996 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423110442 489494433 /nfs/dbraw/zinc/49/44/33/489494433.db2.gz IBVIMFGZCWSBQN-CABCVRRESA-N 2 1 364.515 0.631 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414336156 489496508 /nfs/dbraw/zinc/49/65/08/489496508.db2.gz VWZYKZALTMBXBT-UHFFFAOYSA-N 2 1 374.894 0.241 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)CC2)c1 ZINC000423152473 489497578 /nfs/dbraw/zinc/49/75/78/489497578.db2.gz FFPHOLJAZBNQSH-UHFFFAOYSA-N 2 1 371.485 0.641 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000423187152 489500999 /nfs/dbraw/zinc/50/09/99/489500999.db2.gz LZLYFQOEPAXFAL-OAFZBRQQSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000555616568 491260233 /nfs/dbraw/zinc/26/02/33/491260233.db2.gz ZIQYJACJOOVPPB-INIZCTEOSA-N 2 1 354.495 0.063 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](O)[C@H](OC)C2)cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1 ZINC000451753635 489522494 /nfs/dbraw/zinc/52/24/94/489522494.db2.gz ARMBCTJWCJMODV-NCXUSEDFSA-N 2 1 366.458 0.078 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](O)[C@H](OC)C2)cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1 ZINC000451753635 489522496 /nfs/dbraw/zinc/52/24/96/489522496.db2.gz ARMBCTJWCJMODV-NCXUSEDFSA-N 2 1 366.458 0.078 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@H](C)C[NH2+]1 ZINC000415551160 489529275 /nfs/dbraw/zinc/52/92/75/489529275.db2.gz DBENREKXOBFQEK-HZPDHXFCSA-N 2 1 374.485 0.709 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000415571791 489532001 /nfs/dbraw/zinc/53/20/01/489532001.db2.gz UHNARBFOAXLHLY-OLZOCXBDSA-N 2 1 361.446 0.334 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC(F)(F)C[NH3+])ccc1OCC[NH+](C)C ZINC000415603909 489535437 /nfs/dbraw/zinc/53/54/37/489535437.db2.gz DOTNBLQJYUBBIB-UHFFFAOYSA-N 2 1 358.389 0.584 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1F ZINC000415614595 489537646 /nfs/dbraw/zinc/53/76/46/489537646.db2.gz PJSRSUKPTAJNSN-UHFFFAOYSA-N 2 1 362.352 0.415 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004572 489567411 /nfs/dbraw/zinc/56/74/11/489567411.db2.gz IQPCKTFNZYZUPG-NEPJUHHUSA-N 2 1 367.416 0.508 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005746 489567467 /nfs/dbraw/zinc/56/74/67/489567467.db2.gz KDVDBUWGUQIRRH-GHMZBOCLSA-N 2 1 354.373 0.545 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000416054955 489568305 /nfs/dbraw/zinc/56/83/05/489568305.db2.gz XERPFGIUBGYSPU-HUUCEWRRSA-N 2 1 374.407 0.985 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C(C)C ZINC000555661923 491263400 /nfs/dbraw/zinc/26/34/00/491263400.db2.gz XEYFNPYKTKTTPY-MRXNPFEDSA-N 2 1 370.538 0.525 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C(C)C ZINC000555661923 491263403 /nfs/dbraw/zinc/26/34/03/491263403.db2.gz XEYFNPYKTKTTPY-MRXNPFEDSA-N 2 1 370.538 0.525 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426551286 489574322 /nfs/dbraw/zinc/57/43/22/489574322.db2.gz YWRTURINGRRMBF-IRXDYDNUSA-N 2 1 354.495 0.386 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702733 491264453 /nfs/dbraw/zinc/26/44/53/491264453.db2.gz LMJMYCGTFDLKGA-JKSUJKDBSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000563702733 491264457 /nfs/dbraw/zinc/26/44/57/491264457.db2.gz LMJMYCGTFDLKGA-JKSUJKDBSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000563702733 491264459 /nfs/dbraw/zinc/26/44/59/491264459.db2.gz LMJMYCGTFDLKGA-JKSUJKDBSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000426885590 489585193 /nfs/dbraw/zinc/58/51/93/489585193.db2.gz CWYGUTLPJFGJDD-DOTOQJQBSA-N 2 1 364.490 0.562 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427261955 489599757 /nfs/dbraw/zinc/59/97/57/489599757.db2.gz CIDJWFWTIXEZPY-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)C1 ZINC000427291648 489601520 /nfs/dbraw/zinc/60/15/20/489601520.db2.gz IIRIAIZJNCEXNH-WMZOPIPTSA-N 2 1 358.486 1.000 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000416817090 489630500 /nfs/dbraw/zinc/63/05/00/489630500.db2.gz PTYPMCYEZCALLL-UONOGXRCSA-N 2 1 351.451 0.379 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000416817089 489630826 /nfs/dbraw/zinc/63/08/26/489630826.db2.gz PTYPMCYEZCALLL-KGLIPLIRSA-N 2 1 351.451 0.379 20 0 FCADMP COC[C@@]1(CNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910435 489633659 /nfs/dbraw/zinc/63/36/59/489633659.db2.gz AWSVOVSVDCYCMC-DAYGRLMNSA-N 2 1 356.511 0.942 20 0 FCADMP COC[C@@]1(CNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910435 489633661 /nfs/dbraw/zinc/63/36/61/489633661.db2.gz AWSVOVSVDCYCMC-DAYGRLMNSA-N 2 1 356.511 0.942 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963609 489636859 /nfs/dbraw/zinc/63/68/59/489636859.db2.gz ZPMMLTZSOFBKOQ-INIZCTEOSA-N 2 1 363.510 0.805 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417051672 489639723 /nfs/dbraw/zinc/63/97/23/489639723.db2.gz ONQVVAPPDXQQTR-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236363 489645765 /nfs/dbraw/zinc/64/57/65/489645765.db2.gz FIJQYPATORBJPZ-KGLIPLIRSA-N 2 1 365.444 0.854 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515861 489648509 /nfs/dbraw/zinc/64/85/09/489648509.db2.gz NLLUCSDJRJNJFI-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000457515861 489648511 /nfs/dbraw/zinc/64/85/11/489648511.db2.gz NLLUCSDJRJNJFI-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000457515861 489648513 /nfs/dbraw/zinc/64/85/13/489648513.db2.gz NLLUCSDJRJNJFI-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000417361658 489649754 /nfs/dbraw/zinc/64/97/54/489649754.db2.gz CXKSQUTXTRCEAV-QGZVFWFLSA-N 2 1 360.506 0.893 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417376504 489650289 /nfs/dbraw/zinc/65/02/89/489650289.db2.gz CDHDLZRVCWJERX-CALCHBBNSA-N 2 1 358.490 0.455 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000417391311 489651094 /nfs/dbraw/zinc/65/10/94/489651094.db2.gz RKOXEJZSBIUWMY-OAHLLOKOSA-N 2 1 370.448 0.875 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418874 489651721 /nfs/dbraw/zinc/65/17/21/489651721.db2.gz BZVVFVIMKPMCAR-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417430648 489652557 /nfs/dbraw/zinc/65/25/57/489652557.db2.gz PVWJQFDIGCZKGY-ARFHVFGLSA-N 2 1 353.511 0.840 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417428355 489652837 /nfs/dbraw/zinc/65/28/37/489652837.db2.gz KUTIEIUCGZWVLI-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000417435422 489653365 /nfs/dbraw/zinc/65/33/65/489653365.db2.gz YODFDOJKDHMHHU-OAGGEKHMSA-N 2 1 353.511 0.555 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000417434026 489653396 /nfs/dbraw/zinc/65/33/96/489653396.db2.gz WJUSOGDLCWSICC-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417461136 489655733 /nfs/dbraw/zinc/65/57/33/489655733.db2.gz KXWLTWPVGNWFQU-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481885 489656308 /nfs/dbraw/zinc/65/63/08/489656308.db2.gz IEAHMXUNRMZTCE-WBVHZDCISA-N 2 1 365.522 0.761 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511055 489656770 /nfs/dbraw/zinc/65/67/70/489656770.db2.gz YCZSIBRFKWKZQV-MOPGFXCFSA-N 2 1 359.518 0.754 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000417550839 489658261 /nfs/dbraw/zinc/65/82/61/489658261.db2.gz MMTMRQTVZVDOJJ-DGCLKSJQSA-N 2 1 351.417 0.604 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417557384 489658413 /nfs/dbraw/zinc/65/84/13/489658413.db2.gz BLAQJRZACGUPEQ-ZBFHGGJFSA-N 2 1 364.494 0.857 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)[N@@H+](C)C1CC1 ZINC000417550474 489658423 /nfs/dbraw/zinc/65/84/23/489658423.db2.gz LKJKGYHBTQTEFO-VYDXJSESSA-N 2 1 365.522 0.759 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417617110 489659614 /nfs/dbraw/zinc/65/96/14/489659614.db2.gz ZQVBUDUGWBEEHL-CYBMUJFWSA-N 2 1 353.433 0.854 20 0 FCADMP [NH3+]C1(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CCCCCC1 ZINC000417647894 489660314 /nfs/dbraw/zinc/66/03/14/489660314.db2.gz MMRVOHPPOUYTAL-UHFFFAOYSA-N 2 1 369.554 0.727 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417729191 489662950 /nfs/dbraw/zinc/66/29/50/489662950.db2.gz LBHWQKAKMGHAAY-SFHVURJKSA-N 2 1 374.533 0.402 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1=O ZINC000428956947 489668548 /nfs/dbraw/zinc/66/85/48/489668548.db2.gz ZICALADQDJVLME-MWDXBVQZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000373120906 489670621 /nfs/dbraw/zinc/67/06/21/489670621.db2.gz HYPLRQFDMBSERY-FGTMMUONSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000373120906 489670623 /nfs/dbraw/zinc/67/06/23/489670623.db2.gz HYPLRQFDMBSERY-FGTMMUONSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000373120906 489670625 /nfs/dbraw/zinc/67/06/25/489670625.db2.gz HYPLRQFDMBSERY-FGTMMUONSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910192 489670865 /nfs/dbraw/zinc/67/08/65/489670865.db2.gz JKIKQHZIOIQPKV-SJORKVTESA-N 2 1 367.538 0.851 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000373127878 489671041 /nfs/dbraw/zinc/67/10/41/489671041.db2.gz XUJNNNAIAWWKJY-HOCLYGCPSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000373127878 489671043 /nfs/dbraw/zinc/67/10/43/489671043.db2.gz XUJNNNAIAWWKJY-HOCLYGCPSA-N 2 1 351.495 0.275 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373128095 489671051 /nfs/dbraw/zinc/67/10/51/489671051.db2.gz YIHDHQAEJMPLNA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373128095 489671053 /nfs/dbraw/zinc/67/10/53/489671053.db2.gz YIHDHQAEJMPLNA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373128095 489671056 /nfs/dbraw/zinc/67/10/56/489671056.db2.gz YIHDHQAEJMPLNA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000373127876 489671278 /nfs/dbraw/zinc/67/12/78/489671278.db2.gz XUJNNNAIAWWKJY-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000373127876 489671280 /nfs/dbraw/zinc/67/12/80/489671280.db2.gz XUJNNNAIAWWKJY-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000373129203 489671799 /nfs/dbraw/zinc/67/17/99/489671799.db2.gz YCRKIVLWOQMMPA-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000373129203 489671800 /nfs/dbraw/zinc/67/18/00/489671800.db2.gz YCRKIVLWOQMMPA-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000417993666 489674812 /nfs/dbraw/zinc/67/48/12/489674812.db2.gz AUGGKTLCNGUJIM-JHJVBQTASA-N 2 1 351.417 0.604 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@H]21 ZINC000555756387 491270893 /nfs/dbraw/zinc/27/08/93/491270893.db2.gz FUTBXOIIYWJWLH-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426985 489682905 /nfs/dbraw/zinc/68/29/05/489682905.db2.gz NQXHOUWODYWLCF-CVEARBPZSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426985 489682906 /nfs/dbraw/zinc/68/29/06/489682906.db2.gz NQXHOUWODYWLCF-CVEARBPZSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426985 489682909 /nfs/dbraw/zinc/68/29/09/489682909.db2.gz NQXHOUWODYWLCF-CVEARBPZSA-N 2 1 353.511 0.698 20 0 FCADMP C[NH+]1CCC(n2ccc(NCc3cnc(N4CC[NH+](C)CC4)nc3)n2)CC1 ZINC000373266533 489683152 /nfs/dbraw/zinc/68/31/52/489683152.db2.gz YHMTTXXHBWIGBI-UHFFFAOYSA-N 2 1 370.505 1.304 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212069 489684976 /nfs/dbraw/zinc/68/49/76/489684976.db2.gz ZJRLCNDDAVFJMR-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCNC(N)=O ZINC000374206625 489694677 /nfs/dbraw/zinc/69/46/77/489694677.db2.gz FCNFBYXGNUHFIH-UHFFFAOYSA-N 2 1 353.511 0.700 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418482708 489700950 /nfs/dbraw/zinc/70/09/50/489700950.db2.gz BISVCOXPKBTFNJ-ROUUACIJSA-N 2 1 364.490 0.405 20 0 FCADMP COCC[NH2+]CCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418510786 489703077 /nfs/dbraw/zinc/70/30/77/489703077.db2.gz QCELFCQFAWFPIC-LJQANCHMSA-N 2 1 364.490 0.501 20 0 FCADMP COCC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418510785 489703255 /nfs/dbraw/zinc/70/32/55/489703255.db2.gz QCELFCQFAWFPIC-IBGZPJMESA-N 2 1 364.490 0.501 20 0 FCADMP C[C@](O)(CNC(=O)NCCCCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000458839523 489704931 /nfs/dbraw/zinc/70/49/31/489704931.db2.gz DLSDYVTZCPIQIC-SFHVURJKSA-N 2 1 356.511 0.635 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCCOCC1 ZINC000458840025 489705198 /nfs/dbraw/zinc/70/51/98/489705198.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 3 1 369.554 0.766 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458840025 489705202 /nfs/dbraw/zinc/70/52/02/489705202.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 3 1 369.554 0.766 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458840025 489705208 /nfs/dbraw/zinc/70/52/08/489705208.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 3 1 369.554 0.766 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCOCC1 ZINC000458840025 489705214 /nfs/dbraw/zinc/70/52/14/489705214.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCOCC1 ZINC000458840025 489705217 /nfs/dbraw/zinc/70/52/17/489705217.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418570861 489707972 /nfs/dbraw/zinc/70/79/72/489707972.db2.gz RBOPWSXULUOPAN-QBIMZIAESA-N 2 1 368.428 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609333 489709585 /nfs/dbraw/zinc/70/95/85/489709585.db2.gz FHGSIMYPZJSFKB-MCIONIFRSA-N 2 1 365.444 0.804 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627341 489712536 /nfs/dbraw/zinc/71/25/36/489712536.db2.gz AVZIZKZUFHASBD-MJGOQNOKSA-N 3 1 369.554 0.813 20 0 FCADMP COCC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH2+]CC1 ZINC000418641270 489714810 /nfs/dbraw/zinc/71/48/10/489714810.db2.gz QBSZNSUSMDZWRU-HNNXBMFYSA-N 2 1 356.511 0.489 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875257 491274197 /nfs/dbraw/zinc/27/41/97/491274197.db2.gz DWZOAWTWKKEHBD-KBPBESRZSA-N 2 1 365.444 0.806 20 0 FCADMP [NH3+]CCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)CC1CCCC1 ZINC000489771358 489727208 /nfs/dbraw/zinc/72/72/08/489727208.db2.gz RGUHISSWALUUJY-UHFFFAOYSA-N 2 1 350.507 0.908 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])S(C)(=O)=O ZINC000489803286 489728675 /nfs/dbraw/zinc/72/86/75/489728675.db2.gz UKCZKSICIPIPBN-HNNXBMFYSA-N 2 1 362.540 0.366 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])S(C)(=O)=O ZINC000489803286 489728678 /nfs/dbraw/zinc/72/86/78/489728678.db2.gz UKCZKSICIPIPBN-HNNXBMFYSA-N 2 1 362.540 0.366 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000563882155 491274451 /nfs/dbraw/zinc/27/44/51/491274451.db2.gz YHJCTECGHJCOBP-OAHLLOKOSA-N 2 1 355.866 0.833 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC000563888363 491274976 /nfs/dbraw/zinc/27/49/76/491274976.db2.gz JJYLDELVVBZJKP-INIZCTEOSA-N 2 1 367.515 0.442 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822515 489739079 /nfs/dbraw/zinc/73/90/79/489739079.db2.gz ARYJBFUCGYRLBN-HZPDHXFCSA-N 2 1 366.506 0.333 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418832221 489744867 /nfs/dbraw/zinc/74/48/67/489744867.db2.gz LZBSTVRIJJOWOJ-HOTGVXAUSA-N 2 1 366.506 0.381 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418833020 489745404 /nfs/dbraw/zinc/74/54/04/489745404.db2.gz MUGDRIQRCBXUOW-HZPDHXFCSA-N 2 1 366.506 0.394 20 0 FCADMP [NH3+]CCCOC1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000430561785 489746360 /nfs/dbraw/zinc/74/63/60/489746360.db2.gz OHOOTNPNHNOMEI-UHFFFAOYSA-N 2 1 354.476 0.904 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430573091 489747514 /nfs/dbraw/zinc/74/75/14/489747514.db2.gz PTTFQTKZAOKVNZ-AWEZNQCLSA-N 2 1 350.463 0.869 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430573091 489747516 /nfs/dbraw/zinc/74/75/16/489747516.db2.gz PTTFQTKZAOKVNZ-AWEZNQCLSA-N 2 1 350.463 0.869 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430573092 489747569 /nfs/dbraw/zinc/74/75/69/489747569.db2.gz PTTFQTKZAOKVNZ-CQSZACIVSA-N 2 1 350.463 0.869 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430573092 489747572 /nfs/dbraw/zinc/74/75/72/489747572.db2.gz PTTFQTKZAOKVNZ-CQSZACIVSA-N 2 1 350.463 0.869 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430594739 489749270 /nfs/dbraw/zinc/74/92/70/489749270.db2.gz SGALDAUXWXCOOP-CYBMUJFWSA-N 2 1 370.519 0.298 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430594739 489749272 /nfs/dbraw/zinc/74/92/72/489749272.db2.gz SGALDAUXWXCOOP-CYBMUJFWSA-N 2 1 370.519 0.298 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418839730 489749577 /nfs/dbraw/zinc/74/95/77/489749577.db2.gz DMRJSJNWLZZSJH-OKZBNKHCSA-N 2 1 356.470 0.445 20 0 FCADMP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430602210 489750326 /nfs/dbraw/zinc/75/03/26/489750326.db2.gz GMQRCSFHVQMNRB-ZIAGYGMSSA-N 2 1 352.504 0.582 20 0 FCADMP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC(=O)N1CC[NH2+]CC1 ZINC000430606431 489751824 /nfs/dbraw/zinc/75/18/24/489751824.db2.gz VPEGBUPOQBCOFX-SFHVURJKSA-N 2 1 358.486 0.934 20 0 FCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430609121 489752790 /nfs/dbraw/zinc/75/27/90/489752790.db2.gz GQSGPQZGHQOJMX-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430609121 489752793 /nfs/dbraw/zinc/75/27/93/489752793.db2.gz GQSGPQZGHQOJMX-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430614734 489753932 /nfs/dbraw/zinc/75/39/32/489753932.db2.gz AGFIDCJMLJJMRC-CQSZACIVSA-N 2 1 361.446 0.512 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620184 489755986 /nfs/dbraw/zinc/75/59/86/489755986.db2.gz BVUUFCXCJVXFRV-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624449 489756639 /nfs/dbraw/zinc/75/66/39/489756639.db2.gz IGFDENHEMNDRAB-HIFRSBDPSA-N 2 1 350.438 0.617 20 0 FCADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630324 489757248 /nfs/dbraw/zinc/75/72/48/489757248.db2.gz YELZYRHRUKNMJN-QGZVFWFLSA-N 2 1 374.485 0.455 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418854945 489758311 /nfs/dbraw/zinc/75/83/11/489758311.db2.gz CJWGTVVGHIWCFU-INIZCTEOSA-N 2 1 367.538 0.025 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000418856274 489759187 /nfs/dbraw/zinc/75/91/87/489759187.db2.gz WNHFVTNKTOZHCY-XUJLQICISA-N 2 1 362.474 0.800 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000418856552 489759468 /nfs/dbraw/zinc/75/94/68/489759468.db2.gz XCXGWLZSKRQIMD-HNNXBMFYSA-N 2 1 364.490 0.857 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418856721 489760323 /nfs/dbraw/zinc/76/03/23/489760323.db2.gz XKDFKPMVBHVNNP-FMKPAKJESA-N 2 1 362.474 0.658 20 0 FCADMP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)nc12 ZINC000430637268 489760478 /nfs/dbraw/zinc/76/04/78/489760478.db2.gz CGVGIRUWTSLWEJ-MRXNPFEDSA-N 2 1 369.469 0.647 20 0 FCADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430640806 489761010 /nfs/dbraw/zinc/76/10/10/489761010.db2.gz HZGYMVFKBGRLPB-GJZGRUSLSA-N 2 1 362.474 0.659 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645614 489762284 /nfs/dbraw/zinc/76/22/84/489762284.db2.gz VDZPYCDLHMDHBY-NWDGAFQWSA-N 2 1 353.854 0.849 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645614 489762286 /nfs/dbraw/zinc/76/22/86/489762286.db2.gz VDZPYCDLHMDHBY-NWDGAFQWSA-N 2 1 353.854 0.849 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000418861108 489762382 /nfs/dbraw/zinc/76/23/82/489762382.db2.gz MNKLSOSDFJFIPL-AWEZNQCLSA-N 2 1 354.401 0.650 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663463 489763058 /nfs/dbraw/zinc/76/30/58/489763058.db2.gz JRPXROVLBJGORW-UONOGXRCSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863668 489763172 /nfs/dbraw/zinc/76/31/72/489763172.db2.gz BSKTVWOOLJJVFL-HOTGVXAUSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671297 489765000 /nfs/dbraw/zinc/76/50/00/489765000.db2.gz XKMPKCKEEWVABR-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000459858664 489771846 /nfs/dbraw/zinc/77/18/46/489771846.db2.gz DURVUBKBJAFWEZ-LJQANCHMSA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000459858664 489771848 /nfs/dbraw/zinc/77/18/48/489771848.db2.gz DURVUBKBJAFWEZ-LJQANCHMSA-N 2 1 350.507 0.731 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418879241 489772310 /nfs/dbraw/zinc/77/23/10/489772310.db2.gz NBPPYUVYEWNUJN-MSOLQXFVSA-N 2 1 374.485 0.209 20 0 FCADMP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000430892366 489775774 /nfs/dbraw/zinc/77/57/74/489775774.db2.gz DKPPUAOFXVIVDC-QGZVFWFLSA-N 2 1 351.447 0.248 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000430892366 489775779 /nfs/dbraw/zinc/77/57/79/489775779.db2.gz DKPPUAOFXVIVDC-QGZVFWFLSA-N 2 1 351.447 0.248 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[NH2+]CC1 ZINC000430941384 489779660 /nfs/dbraw/zinc/77/96/60/489779660.db2.gz WIHAIYYVQKHOQW-QGZVFWFLSA-N 2 1 360.502 0.819 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000418911855 489787600 /nfs/dbraw/zinc/78/76/00/489787600.db2.gz CBDWGSFZKSFYQB-HRCADAONSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418913390 489788714 /nfs/dbraw/zinc/78/87/14/489788714.db2.gz DRLPPILUZLNWDH-XHSDSOJGSA-N 2 1 354.495 0.093 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418913389 489789129 /nfs/dbraw/zinc/78/91/29/489789129.db2.gz DRLPPILUZLNWDH-OAGGEKHMSA-N 2 1 354.495 0.093 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418916587 489790151 /nfs/dbraw/zinc/79/01/51/489790151.db2.gz HFMMOPVFSQGJOE-IAGOWNOFSA-N 2 1 368.522 0.483 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C1 ZINC000418922825 489792582 /nfs/dbraw/zinc/79/25/82/489792582.db2.gz NCYZXLJHKVSBJR-ARFHVFGLSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000418927422 489792896 /nfs/dbraw/zinc/79/28/96/489792896.db2.gz SVPDNTAHTBBFTH-GDBMZVCRSA-N 2 1 354.495 0.045 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491091236 489795284 /nfs/dbraw/zinc/79/52/84/489795284.db2.gz OFKQYBBDVKKMKF-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000418936044 489796081 /nfs/dbraw/zinc/79/60/81/489796081.db2.gz BECSEQNJZOJAOM-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000418939151 489796911 /nfs/dbraw/zinc/79/69/11/489796911.db2.gz HDTZNSMAUFTFRT-UHFFFAOYSA-N 2 1 358.486 0.837 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431324974 489801551 /nfs/dbraw/zinc/80/15/51/489801551.db2.gz YYUVTLJRIURULZ-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431324974 489801556 /nfs/dbraw/zinc/80/15/56/489801556.db2.gz YYUVTLJRIURULZ-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418954180 489803625 /nfs/dbraw/zinc/80/36/25/489803625.db2.gz WCHCMXMXVWZJGG-UZLBHIALSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067459 491283675 /nfs/dbraw/zinc/28/36/75/491283675.db2.gz UBAJBRALYUBXDA-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571067459 491283676 /nfs/dbraw/zinc/28/36/76/491283676.db2.gz UBAJBRALYUBXDA-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000571067459 491283677 /nfs/dbraw/zinc/28/36/77/491283677.db2.gz UBAJBRALYUBXDA-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC1 ZINC000418986971 489811673 /nfs/dbraw/zinc/81/16/73/489811673.db2.gz GUEQDWDUQVTKKF-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459994354 489812312 /nfs/dbraw/zinc/81/23/12/489812312.db2.gz UWLSSNVMZGIJFD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459994354 489812315 /nfs/dbraw/zinc/81/23/15/489812315.db2.gz UWLSSNVMZGIJFD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000460008857 489817330 /nfs/dbraw/zinc/81/73/30/489817330.db2.gz FPRXVYITGAPVJF-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419015875 489819052 /nfs/dbraw/zinc/81/90/52/489819052.db2.gz FJJIJAMQNXWAPM-QZTJIDSGSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017985 489819738 /nfs/dbraw/zinc/81/97/38/489819738.db2.gz BHSZMFPBYBNCPS-OWCLPIDISA-N 2 1 350.507 0.895 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000460031010 489824730 /nfs/dbraw/zinc/82/47/30/489824730.db2.gz BCJRBDGMPFQYJN-IBGZPJMESA-N 2 1 350.507 0.731 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1F ZINC000419029791 489824788 /nfs/dbraw/zinc/82/47/88/489824788.db2.gz SCWSHCHAFMZPJH-OAHLLOKOSA-N 2 1 359.405 0.790 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419029836 489825193 /nfs/dbraw/zinc/82/51/93/489825193.db2.gz SKYJCDKWFGRKCD-OWCLPIDISA-N 2 1 368.522 0.435 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000419034208 489826987 /nfs/dbraw/zinc/82/69/87/489826987.db2.gz DITGMQYADMTMGP-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000419036368 489828368 /nfs/dbraw/zinc/82/83/68/489828368.db2.gz GJINSWXKEKBSTA-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419057922 489838166 /nfs/dbraw/zinc/83/81/66/489838166.db2.gz ASBYBOASMQOAKO-QKPAOTATSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419057922 489838170 /nfs/dbraw/zinc/83/81/70/489838170.db2.gz ASBYBOASMQOAKO-QKPAOTATSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419058748 489838372 /nfs/dbraw/zinc/83/83/72/489838372.db2.gz CEMXDUASGXGEOO-OKILXGFUSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419058748 489838373 /nfs/dbraw/zinc/83/83/73/489838373.db2.gz CEMXDUASGXGEOO-OKILXGFUSA-N 2 1 354.495 0.249 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000460061068 489838706 /nfs/dbraw/zinc/83/87/06/489838706.db2.gz LZYUYROCBJFVNF-NVXWUHKLSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000460061068 489838710 /nfs/dbraw/zinc/83/87/10/489838710.db2.gz LZYUYROCBJFVNF-NVXWUHKLSA-N 2 1 352.523 0.974 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419073856 489846472 /nfs/dbraw/zinc/84/64/72/489846472.db2.gz CXUKXUBKWHPTPE-OWCLPIDISA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551377 489846942 /nfs/dbraw/zinc/84/69/42/489846942.db2.gz DVFYTWLHHGYPQK-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCOC1CC(CNC(=O)N2CCN(C(C)C)CC2)(N2CCOCC2)C1 ZINC000377077560 489848664 /nfs/dbraw/zinc/84/86/64/489848664.db2.gz LLNLKILJYVEPCE-UHFFFAOYSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419078991 489848775 /nfs/dbraw/zinc/84/87/75/489848775.db2.gz TYJHDDNQFNDEPH-MAUKXSAKSA-N 2 1 374.485 0.344 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419078991 489848778 /nfs/dbraw/zinc/84/87/78/489848778.db2.gz TYJHDDNQFNDEPH-MAUKXSAKSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419081642 489849674 /nfs/dbraw/zinc/84/96/74/489849674.db2.gz IISCLRGUIMDINH-KBXIAJHMSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419086659 489851194 /nfs/dbraw/zinc/85/11/94/489851194.db2.gz OIVBVBIDJZKUHF-GJZGRUSLSA-N 2 1 368.522 0.768 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000419091217 489852471 /nfs/dbraw/zinc/85/24/71/489852471.db2.gz VYIZWPUEYFQORM-IJEWVQPXSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419091136 489852829 /nfs/dbraw/zinc/85/28/29/489852829.db2.gz VTGNLARYPPSEEV-XHSDSOJGSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419091136 489852834 /nfs/dbraw/zinc/85/28/34/489852834.db2.gz VTGNLARYPPSEEV-XHSDSOJGSA-N 2 1 368.522 0.496 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[nH+]c1 ZINC000419106357 489856772 /nfs/dbraw/zinc/85/67/72/489856772.db2.gz WBNAMZGZBUAHBF-OAHLLOKOSA-N 2 1 361.490 1.203 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067457 491283769 /nfs/dbraw/zinc/28/37/69/491283769.db2.gz UBAJBRALYUBXDA-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571067457 491283772 /nfs/dbraw/zinc/28/37/72/491283772.db2.gz UBAJBRALYUBXDA-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000571067457 491283775 /nfs/dbraw/zinc/28/37/75/491283775.db2.gz UBAJBRALYUBXDA-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000419117355 489862660 /nfs/dbraw/zinc/86/26/60/489862660.db2.gz MGAUNECBTAXMJX-QGZVFWFLSA-N 2 1 368.522 0.437 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000433064203 489865366 /nfs/dbraw/zinc/86/53/66/489865366.db2.gz WOPBIYLBPMGPGQ-UHFFFAOYSA-N 2 1 352.483 1.019 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000433064203 489865375 /nfs/dbraw/zinc/86/53/75/489865375.db2.gz WOPBIYLBPMGPGQ-UHFFFAOYSA-N 2 1 352.483 1.019 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000494127614 489870548 /nfs/dbraw/zinc/87/05/48/489870548.db2.gz MVFGGHJBJIWZLS-CALCHBBNSA-N 2 1 363.506 0.967 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000419979794 489872117 /nfs/dbraw/zinc/87/21/17/489872117.db2.gz QKFVAOYWUJNSPF-GDBMZVCRSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000419979794 489872123 /nfs/dbraw/zinc/87/21/23/489872123.db2.gz QKFVAOYWUJNSPF-GDBMZVCRSA-N 2 1 368.522 0.314 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433336341 489876396 /nfs/dbraw/zinc/87/63/96/489876396.db2.gz PEUONBILSQUFFT-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000433333332 489876844 /nfs/dbraw/zinc/87/68/44/489876844.db2.gz GFPBCKCRVYCUHB-MRXNPFEDSA-N 2 1 356.511 0.491 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000420003600 489878496 /nfs/dbraw/zinc/87/84/96/489878496.db2.gz TVFFUURMZFUZRK-INIZCTEOSA-N 2 1 350.507 0.969 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420013186 489880874 /nfs/dbraw/zinc/88/08/74/489880874.db2.gz IYMOQFVNPROSAE-CVEARBPZSA-N 2 1 361.490 0.835 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000420015456 489881736 /nfs/dbraw/zinc/88/17/36/489881736.db2.gz QJDCRBCZRJNIBT-MRXNPFEDSA-N 2 1 358.486 0.965 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000476361279 489882761 /nfs/dbraw/zinc/88/27/61/489882761.db2.gz GRZBSWFLLMBQLW-OAHLLOKOSA-N 2 1 360.462 0.799 20 0 FCADMP CCOCCN1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000476460639 489890894 /nfs/dbraw/zinc/89/08/94/489890894.db2.gz PRFBDSPZQMFEBV-CALCHBBNSA-N 2 1 356.511 0.849 20 0 FCADMP CCOCCN1CCN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000476460639 489890896 /nfs/dbraw/zinc/89/08/96/489890896.db2.gz PRFBDSPZQMFEBV-CALCHBBNSA-N 2 1 356.511 0.849 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420050586 489893643 /nfs/dbraw/zinc/89/36/43/489893643.db2.gz ZEJJDIAAOQADSN-ILXRZTDVSA-N 2 1 354.495 0.406 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420053093 489895201 /nfs/dbraw/zinc/89/52/01/489895201.db2.gz GDYPRPVQKYDBDG-OCCSQVGLSA-N 2 1 351.451 0.269 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000420074028 489903058 /nfs/dbraw/zinc/90/30/58/489903058.db2.gz PYVIZVFGEMCXQU-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000420074028 489903063 /nfs/dbraw/zinc/90/30/63/489903063.db2.gz PYVIZVFGEMCXQU-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070578 489903652 /nfs/dbraw/zinc/90/36/52/489903652.db2.gz JUFHETCAOFFAFG-KRWDZBQOSA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070578 489903656 /nfs/dbraw/zinc/90/36/56/489903656.db2.gz JUFHETCAOFFAFG-KRWDZBQOSA-N 2 1 367.538 0.105 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420080027 489905287 /nfs/dbraw/zinc/90/52/87/489905287.db2.gz JRWRAFAZSSJULH-UHFFFAOYSA-N 2 1 356.511 0.437 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420080859 489905692 /nfs/dbraw/zinc/90/56/92/489905692.db2.gz HFSMIERICLNAEY-GASCZTMLSA-N 2 1 354.495 0.108 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC[N@@H+]1CCOC ZINC000420083108 489906179 /nfs/dbraw/zinc/90/61/79/489906179.db2.gz SIRYVELJYXZOHK-HNNXBMFYSA-N 2 1 356.511 0.579 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC[N@H+]1CCOC ZINC000420083108 489906182 /nfs/dbraw/zinc/90/61/82/489906182.db2.gz SIRYVELJYXZOHK-HNNXBMFYSA-N 2 1 356.511 0.579 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000377535178 489916248 /nfs/dbraw/zinc/91/62/48/489916248.db2.gz CMRYNMBMLFAZPI-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420118465 489918096 /nfs/dbraw/zinc/91/80/96/489918096.db2.gz MQIFBKJZMABKBG-FUHWJXTLSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420118464 489918258 /nfs/dbraw/zinc/91/82/58/489918258.db2.gz MQIFBKJZMABKBG-AEFFLSMTSA-N 2 1 358.486 0.488 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477036558 489934405 /nfs/dbraw/zinc/93/44/05/489934405.db2.gz UMYLOMRMVIHCOQ-OAGGEKHMSA-N 2 1 370.538 0.837 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477036558 489934408 /nfs/dbraw/zinc/93/44/08/489934408.db2.gz UMYLOMRMVIHCOQ-OAGGEKHMSA-N 2 1 370.538 0.837 20 0 FCADMP O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000556013100 491289134 /nfs/dbraw/zinc/28/91/34/491289134.db2.gz TWMDLMZPMWGNPE-KRWDZBQOSA-N 2 1 367.453 0.901 20 0 FCADMP O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000556013100 491289136 /nfs/dbraw/zinc/28/91/36/491289136.db2.gz TWMDLMZPMWGNPE-KRWDZBQOSA-N 2 1 367.453 0.901 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420167686 489938082 /nfs/dbraw/zinc/93/80/82/489938082.db2.gz PPQYOFVMZMYKOP-MRXNPFEDSA-N 2 1 368.522 0.186 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169564 489938903 /nfs/dbraw/zinc/93/89/03/489938903.db2.gz RKLGXCDXKQHEIY-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171089 489939052 /nfs/dbraw/zinc/93/90/52/489939052.db2.gz SRQNCPXIIJNIPU-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000477087314 489940802 /nfs/dbraw/zinc/94/08/02/489940802.db2.gz WJHGUKDQGZFHAE-DLBZAZTESA-N 2 1 369.554 0.221 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420187135 489945311 /nfs/dbraw/zinc/94/53/11/489945311.db2.gz LUTQRTBYLMNLLM-GOSISDBHSA-N 2 1 374.485 0.216 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000462003297 489949619 /nfs/dbraw/zinc/94/96/19/489949619.db2.gz OHVRGOGGLBKJEV-INIZCTEOSA-N 2 1 355.527 0.911 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377734742 489950531 /nfs/dbraw/zinc/95/05/31/489950531.db2.gz OQTUPUZOSLQPCD-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420312227 489962663 /nfs/dbraw/zinc/96/26/63/489962663.db2.gz RYOLWNUAYRNSBC-UHFFFAOYSA-N 2 1 351.451 0.857 20 0 FCADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420329683 489963674 /nfs/dbraw/zinc/96/36/74/489963674.db2.gz HCRJKFGCYMWDFK-BETUJISGSA-N 2 1 360.414 0.995 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH2+][C@H](C)C1 ZINC000420336628 489964560 /nfs/dbraw/zinc/96/45/60/489964560.db2.gz MMLXQPOGFCFHSY-IAGOWNOFSA-N 2 1 360.502 0.817 20 0 FCADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351034 489966574 /nfs/dbraw/zinc/96/65/74/489966574.db2.gz VQFFKPPOSPLDBY-SFHVURJKSA-N 2 1 360.502 0.893 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420365813 489968394 /nfs/dbraw/zinc/96/83/94/489968394.db2.gz LQUYRVVRVIEAPK-XHBSWPGZSA-N 2 1 354.476 0.639 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C(=O)OC ZINC000420377496 489969835 /nfs/dbraw/zinc/96/98/35/489969835.db2.gz LDBMMGNXUVUIBH-QXRTWZOPSA-N 2 1 369.506 0.909 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374767 489970025 /nfs/dbraw/zinc/97/00/25/489970025.db2.gz SJLIKEXXHAEMSI-ROUUACIJSA-N 2 1 354.539 0.957 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477615632 489977419 /nfs/dbraw/zinc/97/74/19/489977419.db2.gz MGSYMNGTUXZSSM-RDJZCZTQSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462749935 489990859 /nfs/dbraw/zinc/99/08/59/489990859.db2.gz WDFAHWSHEBWWMD-UHFFFAOYSA-N 2 1 356.492 0.807 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377986325 489991898 /nfs/dbraw/zinc/99/18/98/489991898.db2.gz ADFITPJOLWSISK-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377986325 489991903 /nfs/dbraw/zinc/99/19/03/489991903.db2.gz ADFITPJOLWSISK-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000571149414 491288418 /nfs/dbraw/zinc/28/84/18/491288418.db2.gz DFSZAQOWBBYROY-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571149414 491288423 /nfs/dbraw/zinc/28/84/23/491288423.db2.gz DFSZAQOWBBYROY-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000478067478 490003547 /nfs/dbraw/zinc/00/35/47/490003547.db2.gz ZIZPWHZGXPCQBA-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP CN(CC(=O)OC(C)(C)C)C[C@H]1CN(CC[N@H+]2CCCOCC2)CCO1 ZINC000463196871 490003797 /nfs/dbraw/zinc/00/37/97/490003797.db2.gz GLOQCCGANWMGQA-KRWDZBQOSA-N 2 1 371.522 0.683 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)n1C ZINC000435540086 490005517 /nfs/dbraw/zinc/00/55/17/490005517.db2.gz OVLNKCMWDHLMFI-UHFFFAOYSA-N 2 1 352.483 0.474 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)n1C ZINC000435540086 490005521 /nfs/dbraw/zinc/00/55/21/490005521.db2.gz OVLNKCMWDHLMFI-UHFFFAOYSA-N 2 1 352.483 0.474 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420900056 490029220 /nfs/dbraw/zinc/02/92/20/490029220.db2.gz IBRJVRVTOOUVRP-JCYILVPMSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973308 490034536 /nfs/dbraw/zinc/03/45/36/490034536.db2.gz YUWQNSPDXAHITC-LSDHHAIUSA-N 2 1 351.499 0.934 20 0 FCADMP C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000378284457 490039638 /nfs/dbraw/zinc/03/96/38/490039638.db2.gz CDRFCDFPVJMINR-AWEZNQCLSA-N 2 1 360.458 0.750 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000442341744 490059393 /nfs/dbraw/zinc/05/93/93/490059393.db2.gz QKSXFWDKPVHATI-ZDUSSCGKSA-N 2 1 354.414 0.972 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057609 490066002 /nfs/dbraw/zinc/06/60/02/490066002.db2.gz HIQHQQSFBJZWJR-HNNXBMFYSA-N 2 1 362.474 0.964 20 0 FCADMP CCOC(=O)[C@](C)(O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000519782631 490082641 /nfs/dbraw/zinc/08/26/41/490082641.db2.gz UWRMJBXQLQLNKN-LJQANCHMSA-N 2 1 369.506 0.613 20 0 FCADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000545164717 490088949 /nfs/dbraw/zinc/08/89/49/490088949.db2.gz DCXFPCBYXHVZFT-MRXNPFEDSA-N 2 1 357.838 0.369 20 0 FCADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000545164717 490088953 /nfs/dbraw/zinc/08/89/53/490088953.db2.gz DCXFPCBYXHVZFT-MRXNPFEDSA-N 2 1 357.838 0.369 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000545171077 490090435 /nfs/dbraw/zinc/09/04/35/490090435.db2.gz GRWWPKIHEPFEEK-HXUWFJFHSA-N 2 1 374.485 0.446 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000465175556 490091158 /nfs/dbraw/zinc/09/11/58/490091158.db2.gz BJAPDTFLRUMRKV-QZTJIDSGSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000465175556 490091162 /nfs/dbraw/zinc/09/11/62/490091162.db2.gz BJAPDTFLRUMRKV-QZTJIDSGSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000465175556 490091166 /nfs/dbraw/zinc/09/11/66/490091166.db2.gz BJAPDTFLRUMRKV-QZTJIDSGSA-N 2 1 369.554 0.404 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000532672972 490094227 /nfs/dbraw/zinc/09/42/27/490094227.db2.gz BMEMFSPZFHJIBP-OALUTQOASA-N 2 1 366.550 0.898 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000465265616 490098097 /nfs/dbraw/zinc/09/80/97/490098097.db2.gz LNQXHTWZAAGHRH-KRWDZBQOSA-N 2 1 354.539 0.972 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704358 490099823 /nfs/dbraw/zinc/09/98/23/490099823.db2.gz ONVJOJNPFVUNIT-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000564309289 491299358 /nfs/dbraw/zinc/29/93/58/491299358.db2.gz AFRDSBZCYHFUCV-IRXDYDNUSA-N 2 1 364.515 0.973 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000564309289 491299359 /nfs/dbraw/zinc/29/93/59/491299359.db2.gz AFRDSBZCYHFUCV-IRXDYDNUSA-N 2 1 364.515 0.973 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280755 490110745 /nfs/dbraw/zinc/11/07/45/490110745.db2.gz DCTDXDDBKYPMPF-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280755 490110747 /nfs/dbraw/zinc/11/07/47/490110747.db2.gz DCTDXDDBKYPMPF-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280755 490110750 /nfs/dbraw/zinc/11/07/50/490110750.db2.gz DCTDXDDBKYPMPF-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280755 490110753 /nfs/dbraw/zinc/11/07/53/490110753.db2.gz DCTDXDDBKYPMPF-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000496280746 490111152 /nfs/dbraw/zinc/11/11/52/490111152.db2.gz DCTDXDDBKYPMPF-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000496280746 490111153 /nfs/dbraw/zinc/11/11/53/490111153.db2.gz DCTDXDDBKYPMPF-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC000496280746 490111156 /nfs/dbraw/zinc/11/11/56/490111156.db2.gz DCTDXDDBKYPMPF-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000496280746 490111157 /nfs/dbraw/zinc/11/11/57/490111157.db2.gz DCTDXDDBKYPMPF-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000465358306 490111436 /nfs/dbraw/zinc/11/14/36/490111436.db2.gz MFIGWIFPXABZKM-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000496365781 490116331 /nfs/dbraw/zinc/11/63/31/490116331.db2.gz UWHFMZVYEMRNJV-OAHLLOKOSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000520228386 490119105 /nfs/dbraw/zinc/11/91/05/490119105.db2.gz JEZUWDFEOUGDBB-JTDSTZFVSA-N 2 1 360.502 0.929 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000520228386 490119109 /nfs/dbraw/zinc/11/91/09/490119109.db2.gz JEZUWDFEOUGDBB-JTDSTZFVSA-N 2 1 360.502 0.929 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[N@@H+](C)C1CC1 ZINC000520236977 490120738 /nfs/dbraw/zinc/12/07/38/490120738.db2.gz LAHAGKHQOUOKHE-CQSZACIVSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379677478 490125308 /nfs/dbraw/zinc/12/53/08/490125308.db2.gz CPIQACGNTQKIFU-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000422023512 490127494 /nfs/dbraw/zinc/12/74/94/490127494.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 2 1 363.550 0.395 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000465554564 490129892 /nfs/dbraw/zinc/12/98/92/490129892.db2.gz YJCHVAIAFAYANQ-GOEBONIOSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000465554564 490129894 /nfs/dbraw/zinc/12/98/94/490129894.db2.gz YJCHVAIAFAYANQ-GOEBONIOSA-N 2 1 353.511 0.759 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000388418554 490133637 /nfs/dbraw/zinc/13/36/37/490133637.db2.gz PNLAMYCECOIYHD-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341683 491301956 /nfs/dbraw/zinc/30/19/56/491301956.db2.gz PSEWXEQTZZDNKE-HKUYNNGSSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341683 491301957 /nfs/dbraw/zinc/30/19/57/491301957.db2.gz PSEWXEQTZZDNKE-HKUYNNGSSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341683 491301959 /nfs/dbraw/zinc/30/19/59/491301959.db2.gz PSEWXEQTZZDNKE-HKUYNNGSSA-N 2 1 350.459 0.742 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000564343065 491302239 /nfs/dbraw/zinc/30/22/39/491302239.db2.gz OISOUCSHABHOKU-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000564343065 491302240 /nfs/dbraw/zinc/30/22/40/491302240.db2.gz OISOUCSHABHOKU-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480030205 490152337 /nfs/dbraw/zinc/15/23/37/490152337.db2.gz IFSMYNWZHXWBTH-HZPDHXFCSA-N 2 1 364.494 0.728 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272729 490156080 /nfs/dbraw/zinc/15/60/80/490156080.db2.gz UKNIZEZYJWMKSY-NXEZDXNNSA-N 2 1 366.506 0.223 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000465960112 490157598 /nfs/dbraw/zinc/15/75/98/490157598.db2.gz VGBLAMSQXZDBNL-SJORKVTESA-N 2 1 365.522 0.844 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962471 490158858 /nfs/dbraw/zinc/15/88/58/490158858.db2.gz YTBNPLBNDVUFOW-IAGOWNOFSA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962471 490158863 /nfs/dbraw/zinc/15/88/63/490158863.db2.gz YTBNPLBNDVUFOW-IAGOWNOFSA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962471 490158868 /nfs/dbraw/zinc/15/88/68/490158868.db2.gz YTBNPLBNDVUFOW-IAGOWNOFSA-N 2 1 367.538 0.947 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548749 490160315 /nfs/dbraw/zinc/16/03/15/490160315.db2.gz OQBMPWGFOFTFRY-QWHCGFSZSA-N 2 1 351.417 0.558 20 0 FCADMP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)CN1CC[NH+](C)CC1 ZINC000466150860 490168092 /nfs/dbraw/zinc/16/80/92/490168092.db2.gz VTVPNENVIHECQU-QGZVFWFLSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCN(C)CC1 ZINC000466133538 490168194 /nfs/dbraw/zinc/16/81/94/490168194.db2.gz FJOSIPNAJHNOHG-KRWDZBQOSA-N 2 1 369.554 0.358 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)CN1CC[NH+](C)CC1 ZINC000466133538 490168198 /nfs/dbraw/zinc/16/81/98/490168198.db2.gz FJOSIPNAJHNOHG-KRWDZBQOSA-N 2 1 369.554 0.358 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)CN1CC[NH+](C)CC1 ZINC000466133538 490168203 /nfs/dbraw/zinc/16/82/03/490168203.db2.gz FJOSIPNAJHNOHG-KRWDZBQOSA-N 2 1 369.554 0.358 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000422117745 490168679 /nfs/dbraw/zinc/16/86/79/490168679.db2.gz MGOZPKOSFBBJGT-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCSCC1 ZINC000533089126 490173647 /nfs/dbraw/zinc/17/36/47/490173647.db2.gz FSQGHHMOJJOIEJ-AWEZNQCLSA-N 2 1 356.536 0.483 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401116 491305232 /nfs/dbraw/zinc/30/52/32/491305232.db2.gz PYNVTMUBRWYQIF-AEFFLSMTSA-N 2 1 362.522 0.811 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000466502802 490192193 /nfs/dbraw/zinc/19/21/93/490192193.db2.gz ITYJZFQYAVVRTE-YCPHGPKFSA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502802 490192200 /nfs/dbraw/zinc/19/22/00/490192200.db2.gz ITYJZFQYAVVRTE-YCPHGPKFSA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502802 490192211 /nfs/dbraw/zinc/19/22/11/490192211.db2.gz ITYJZFQYAVVRTE-YCPHGPKFSA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577742 490196556 /nfs/dbraw/zinc/19/65/56/490196556.db2.gz YXKQFOULKVCNRR-AEFFLSMTSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577742 490196565 /nfs/dbraw/zinc/19/65/65/490196565.db2.gz YXKQFOULKVCNRR-AEFFLSMTSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577742 490196573 /nfs/dbraw/zinc/19/65/73/490196573.db2.gz YXKQFOULKVCNRR-AEFFLSMTSA-N 2 1 367.538 0.158 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000520852550 490199695 /nfs/dbraw/zinc/19/96/95/490199695.db2.gz TUJWHAOBUIMUIG-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000571428367 491307372 /nfs/dbraw/zinc/30/73/72/491307372.db2.gz IBRKCMHRNWRQCF-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000571428367 491307374 /nfs/dbraw/zinc/30/73/74/491307374.db2.gz IBRKCMHRNWRQCF-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000571428367 491307376 /nfs/dbraw/zinc/30/73/76/491307376.db2.gz IBRKCMHRNWRQCF-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000447347394 490222691 /nfs/dbraw/zinc/22/26/91/490222691.db2.gz CWBFEMPHNCRDQN-AKHDSKFASA-N 2 1 357.539 0.889 20 0 FCADMP CC[C@H]1CN(CC)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521201654 490236406 /nfs/dbraw/zinc/23/64/06/490236406.db2.gz NQGCWUWDMRCZMF-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363875 491312299 /nfs/dbraw/zinc/31/22/99/491312299.db2.gz PFEXHRSEBZDBNB-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000556363875 491312300 /nfs/dbraw/zinc/31/23/00/491312300.db2.gz PFEXHRSEBZDBNB-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000556363875 491312301 /nfs/dbraw/zinc/31/23/01/491312301.db2.gz PFEXHRSEBZDBNB-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+][C@H](CC(F)F)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000498217266 490274877 /nfs/dbraw/zinc/27/48/77/490274877.db2.gz RESAZEKVSRIXCL-CQSZACIVSA-N 2 1 354.401 0.430 20 0 FCADMP C[C@@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H]1C ZINC000521591432 490278215 /nfs/dbraw/zinc/27/82/15/490278215.db2.gz WMCFDJGNHLLYBW-MGLUKCQKSA-N 2 1 351.495 0.462 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000521648660 490286738 /nfs/dbraw/zinc/28/67/38/490286738.db2.gz KEYYTPUQCSCXIJ-INIZCTEOSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000467488167 490299285 /nfs/dbraw/zinc/29/92/85/490299285.db2.gz OXEJFNXNNIXRKO-LJQANCHMSA-N 2 1 365.474 0.440 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000422399755 490299279 /nfs/dbraw/zinc/29/92/79/490299279.db2.gz AKZIHHRIVDONHK-HNNXBMFYSA-N 2 1 350.438 0.714 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000483423209 490317416 /nfs/dbraw/zinc/31/74/16/490317416.db2.gz XXXAAOWJVMESBP-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000498643042 490320087 /nfs/dbraw/zinc/32/00/87/490320087.db2.gz AZWVVNAIEHDSTQ-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000467669304 490328084 /nfs/dbraw/zinc/32/80/84/490328084.db2.gz NYDJJGLONULBBB-UHFFFAOYSA-N 2 1 363.462 0.582 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000467669304 490328087 /nfs/dbraw/zinc/32/80/87/490328087.db2.gz NYDJJGLONULBBB-UHFFFAOYSA-N 2 1 363.462 0.582 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000522035616 490331752 /nfs/dbraw/zinc/33/17/52/490331752.db2.gz BJOBYHCFQMRCIX-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000522035616 490331780 /nfs/dbraw/zinc/33/17/80/490331780.db2.gz BJOBYHCFQMRCIX-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000522035616 490331786 /nfs/dbraw/zinc/33/17/86/490331786.db2.gz BJOBYHCFQMRCIX-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)CC[C@@H]2C)CC1=O ZINC000498725949 490332526 /nfs/dbraw/zinc/33/25/26/490332526.db2.gz KTZRZPPJPYXVJH-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1=O ZINC000498725949 490332532 /nfs/dbraw/zinc/33/25/32/490332532.db2.gz KTZRZPPJPYXVJH-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1=O ZINC000498725949 490332537 /nfs/dbraw/zinc/33/25/37/490332537.db2.gz KTZRZPPJPYXVJH-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422458158 490333441 /nfs/dbraw/zinc/33/34/41/490333441.db2.gz VIKSDTGIPUZHOF-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422458158 490333447 /nfs/dbraw/zinc/33/34/47/490333447.db2.gz VIKSDTGIPUZHOF-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422458158 490333454 /nfs/dbraw/zinc/33/34/54/490333454.db2.gz VIKSDTGIPUZHOF-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422458158 490333462 /nfs/dbraw/zinc/33/34/62/490333462.db2.gz VIKSDTGIPUZHOF-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138263 490345505 /nfs/dbraw/zinc/34/55/05/490345505.db2.gz VRDWFWQBUWXCKP-QZTJIDSGSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138263 490345510 /nfs/dbraw/zinc/34/55/10/490345510.db2.gz VRDWFWQBUWXCKP-QZTJIDSGSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138263 490345514 /nfs/dbraw/zinc/34/55/14/490345514.db2.gz VRDWFWQBUWXCKP-QZTJIDSGSA-N 2 1 358.486 0.952 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483800707 490346316 /nfs/dbraw/zinc/34/63/16/490346316.db2.gz PRCPTVGSFRCAAY-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436508 490349751 /nfs/dbraw/zinc/34/97/51/490349751.db2.gz NLNNTGNYNIKZIR-DLBZAZTESA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436509 490351367 /nfs/dbraw/zinc/35/13/67/490351367.db2.gz NLNNTGNYNIKZIR-IAGOWNOFSA-N 2 1 352.523 0.881 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000422488600 490355398 /nfs/dbraw/zinc/35/53/98/490355398.db2.gz KLJPAZMQVBZIRT-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000498855770 490355655 /nfs/dbraw/zinc/35/56/55/490355655.db2.gz MXIXJUZXMFXNQD-UHFFFAOYSA-N 2 1 350.507 0.945 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000522248441 490358101 /nfs/dbraw/zinc/35/81/01/490358101.db2.gz OJGCQLDDMGGQHG-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000522248441 490358108 /nfs/dbraw/zinc/35/81/08/490358108.db2.gz OJGCQLDDMGGQHG-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000522267921 490364420 /nfs/dbraw/zinc/36/44/20/490364420.db2.gz YCAMANUAMNZPHW-GOSISDBHSA-N 2 1 369.554 0.406 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000522267921 490364423 /nfs/dbraw/zinc/36/44/23/490364423.db2.gz YCAMANUAMNZPHW-GOSISDBHSA-N 2 1 369.554 0.406 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000522267921 490364426 /nfs/dbraw/zinc/36/44/26/490364426.db2.gz YCAMANUAMNZPHW-GOSISDBHSA-N 2 1 369.554 0.406 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410992245 490376597 /nfs/dbraw/zinc/37/65/97/490376597.db2.gz WOUDNOUPRGZVCE-IAGOWNOFSA-N 2 1 373.501 0.754 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410992245 490376602 /nfs/dbraw/zinc/37/66/02/490376602.db2.gz WOUDNOUPRGZVCE-IAGOWNOFSA-N 2 1 373.501 0.754 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000534590361 490387121 /nfs/dbraw/zinc/38/71/21/490387121.db2.gz DYFBIGAOKJXBHS-LSDHHAIUSA-N 2 1 356.536 0.483 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000534590361 490387126 /nfs/dbraw/zinc/38/71/26/490387126.db2.gz DYFBIGAOKJXBHS-LSDHHAIUSA-N 2 1 356.536 0.483 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000534590361 490387133 /nfs/dbraw/zinc/38/71/33/490387133.db2.gz DYFBIGAOKJXBHS-LSDHHAIUSA-N 2 1 356.536 0.483 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000422548552 490401877 /nfs/dbraw/zinc/40/18/77/490401877.db2.gz ZGMCNZPFDPADIN-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739113 491324064 /nfs/dbraw/zinc/32/40/64/491324064.db2.gz BHGVUVJPFWASBD-KZNAEPCWSA-N 2 1 371.485 0.462 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723286 491325190 /nfs/dbraw/zinc/32/51/90/491325190.db2.gz FJYCDODNBZZQOC-INIZCTEOSA-N 2 1 355.504 0.835 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)CC[C@H]2C)[C@@H]1C(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000449856341 490432473 /nfs/dbraw/zinc/43/24/73/490432473.db2.gz MWYKHQLWGGBHBY-CWQOZTLDSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000449856341 490432475 /nfs/dbraw/zinc/43/24/75/490432475.db2.gz MWYKHQLWGGBHBY-CWQOZTLDSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000449856341 490432482 /nfs/dbraw/zinc/43/24/82/490432482.db2.gz MWYKHQLWGGBHBY-CWQOZTLDSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422625605 490433798 /nfs/dbraw/zinc/43/37/98/490433798.db2.gz BXFIQYAPNBTENS-HZSPNIEDSA-N 2 1 368.503 0.968 20 0 FCADMP C[C@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000449944333 490437860 /nfs/dbraw/zinc/43/78/60/490437860.db2.gz HLQMMFMOQKKZRX-CWQOZTLDSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000449944333 490437865 /nfs/dbraw/zinc/43/78/65/490437865.db2.gz HLQMMFMOQKKZRX-CWQOZTLDSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000449944333 490437873 /nfs/dbraw/zinc/43/78/73/490437873.db2.gz HLQMMFMOQKKZRX-CWQOZTLDSA-N 2 1 364.534 0.974 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)CC1=O ZINC000509636962 490446039 /nfs/dbraw/zinc/44/60/39/490446039.db2.gz VALJLQDTSQNJBB-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1=O ZINC000509636962 490446043 /nfs/dbraw/zinc/44/60/43/490446043.db2.gz VALJLQDTSQNJBB-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1=O ZINC000509636962 490446050 /nfs/dbraw/zinc/44/60/50/490446050.db2.gz VALJLQDTSQNJBB-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000523209567 490448890 /nfs/dbraw/zinc/44/88/90/490448890.db2.gz PIOZWNRWZLCFEX-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523209567 490448902 /nfs/dbraw/zinc/44/89/02/490448902.db2.gz PIOZWNRWZLCFEX-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000523209567 490448912 /nfs/dbraw/zinc/44/89/12/490448912.db2.gz PIOZWNRWZLCFEX-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210428 490449422 /nfs/dbraw/zinc/44/94/22/490449422.db2.gz ZEQABIPVQIVJFW-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210428 490449427 /nfs/dbraw/zinc/44/94/27/490449427.db2.gz ZEQABIPVQIVJFW-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210428 490449440 /nfs/dbraw/zinc/44/94/40/490449440.db2.gz ZEQABIPVQIVJFW-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000509721001 490456016 /nfs/dbraw/zinc/45/60/16/490456016.db2.gz LWWNFBGBFMEOIY-OAHLLOKOSA-N 2 1 356.511 0.260 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000422720867 490465879 /nfs/dbraw/zinc/46/58/79/490465879.db2.gz UASMZFGFZXANGP-HNNXBMFYSA-N 3 1 354.495 0.062 20 0 FCADMP c1cnc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)nc1 ZINC000484773541 490467031 /nfs/dbraw/zinc/46/70/31/490467031.db2.gz BPEZLFHQMOEKJR-OTWHNJEPSA-N 2 1 374.533 0.735 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746100 490469047 /nfs/dbraw/zinc/46/90/47/490469047.db2.gz VYWIRRLMIOYOSS-HZPDHXFCSA-N 3 1 368.522 0.485 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746100 490469054 /nfs/dbraw/zinc/46/90/54/490469054.db2.gz VYWIRRLMIOYOSS-HZPDHXFCSA-N 2 1 368.522 0.485 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422883853 490490883 /nfs/dbraw/zinc/49/08/83/490490883.db2.gz VSQXFDYFFZLIDW-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422893583 490492873 /nfs/dbraw/zinc/49/28/73/490492873.db2.gz AHYSBTJDPBQDTD-HNNXBMFYSA-N 2 1 354.495 0.143 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571820902 491331104 /nfs/dbraw/zinc/33/11/04/491331104.db2.gz JZXCRLRLVPFOGX-NVXWUHKLSA-N 2 1 355.442 0.743 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571820902 491331106 /nfs/dbraw/zinc/33/11/06/491331106.db2.gz JZXCRLRLVPFOGX-NVXWUHKLSA-N 2 1 355.442 0.743 20 0 FCADMP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000556741321 491332168 /nfs/dbraw/zinc/33/21/68/491332168.db2.gz YISWVMQJRKIGHQ-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000556741321 491332169 /nfs/dbraw/zinc/33/21/69/491332169.db2.gz YISWVMQJRKIGHQ-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP CN(C)c1noc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000548661841 490523625 /nfs/dbraw/zinc/52/36/25/490523625.db2.gz UWJWIQNMDDGHTD-UHFFFAOYSA-N 2 1 359.434 0.854 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423037946 490527341 /nfs/dbraw/zinc/52/73/41/490527341.db2.gz NSVGKJWXVXHIET-SFHVURJKSA-N 2 1 358.486 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423040770 490528967 /nfs/dbraw/zinc/52/89/67/490528967.db2.gz VEFMNEDRBNCQCK-SJLPKXTDSA-N 2 1 358.486 0.569 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423058242 490531773 /nfs/dbraw/zinc/53/17/73/490531773.db2.gz JAKLCZGLEUBHDS-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485619879 490549634 /nfs/dbraw/zinc/54/96/34/490549634.db2.gz MAQYSLWGWMANBP-SJORKVTESA-N 2 1 369.579 0.703 20 0 FCADMP C[C@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485619876 490549983 /nfs/dbraw/zinc/54/99/83/490549983.db2.gz MAQYSLWGWMANBP-DLBZAZTESA-N 2 1 369.579 0.703 20 0 FCADMP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000485689532 490553398 /nfs/dbraw/zinc/55/33/98/490553398.db2.gz TUCHKZROWGAHIQ-DLBZAZTESA-N 2 1 365.478 0.139 20 0 FCADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063747 490557984 /nfs/dbraw/zinc/55/79/84/490557984.db2.gz IKUZTUJXWMKCTE-CVEARBPZSA-N 2 1 374.551 0.142 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000500848353 490558731 /nfs/dbraw/zinc/55/87/31/490558731.db2.gz VDADCLOGPMWCNP-HZPDHXFCSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000500848353 490558732 /nfs/dbraw/zinc/55/87/32/490558732.db2.gz VDADCLOGPMWCNP-HZPDHXFCSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000500848353 490558735 /nfs/dbraw/zinc/55/87/35/490558735.db2.gz VDADCLOGPMWCNP-HZPDHXFCSA-N 2 1 353.511 0.890 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)CC1=O ZINC000524775069 490559343 /nfs/dbraw/zinc/55/93/43/490559343.db2.gz OPVKVPMXPHTFRL-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1=O ZINC000524775069 490559347 /nfs/dbraw/zinc/55/93/47/490559347.db2.gz OPVKVPMXPHTFRL-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1=O ZINC000524775069 490559348 /nfs/dbraw/zinc/55/93/48/490559348.db2.gz OPVKVPMXPHTFRL-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000524858401 490565463 /nfs/dbraw/zinc/56/54/63/490565463.db2.gz GETGWUIGXZPVPO-CVEARBPZSA-N 2 1 351.495 0.454 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000571908235 491336770 /nfs/dbraw/zinc/33/67/70/491336770.db2.gz XEPJPRCCMHLLRK-INIZCTEOSA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCn3nc4ccccn4c3=O)C2)CC1 ZINC000525171016 490580169 /nfs/dbraw/zinc/58/01/69/490580169.db2.gz LBRXNHKZBPFCTK-KRWDZBQOSA-N 2 1 358.490 0.596 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410161 490592175 /nfs/dbraw/zinc/59/21/75/490592175.db2.gz MYOZHKNERLXMCI-ZBFHGGJFSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000511410161 490592176 /nfs/dbraw/zinc/59/21/76/490592176.db2.gz MYOZHKNERLXMCI-ZBFHGGJFSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000511410161 490592181 /nfs/dbraw/zinc/59/21/81/490592181.db2.gz MYOZHKNERLXMCI-ZBFHGGJFSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958135 491339921 /nfs/dbraw/zinc/33/99/21/491339921.db2.gz JARNTSJVCMFVDJ-WMLDXEAASA-N 2 1 362.474 0.769 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525686431 490618235 /nfs/dbraw/zinc/61/82/35/490618235.db2.gz SZRHUYZBNLEVKQ-IBGZPJMESA-N 3 1 365.566 0.687 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525686431 490618239 /nfs/dbraw/zinc/61/82/39/490618239.db2.gz SZRHUYZBNLEVKQ-IBGZPJMESA-N 3 1 365.566 0.687 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000536860445 490619289 /nfs/dbraw/zinc/61/92/89/490619289.db2.gz ZRVKAHCYBKTALI-HOCLYGCPSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000536860445 490619294 /nfs/dbraw/zinc/61/92/94/490619294.db2.gz ZRVKAHCYBKTALI-HOCLYGCPSA-N 2 1 360.524 0.100 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589252 490619383 /nfs/dbraw/zinc/61/93/83/490619383.db2.gz ODWZRGRNOLICRE-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615179 490624615 /nfs/dbraw/zinc/62/46/15/490624615.db2.gz VDHOLJCSYXRVCC-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501615179 490624618 /nfs/dbraw/zinc/62/46/18/490624618.db2.gz VDHOLJCSYXRVCC-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501615179 490624623 /nfs/dbraw/zinc/62/46/23/490624623.db2.gz VDHOLJCSYXRVCC-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000486659260 490656992 /nfs/dbraw/zinc/65/69/92/490656992.db2.gz RZGAYTOLETZYRY-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000486659260 490656996 /nfs/dbraw/zinc/65/69/96/490656996.db2.gz RZGAYTOLETZYRY-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000486659260 490657002 /nfs/dbraw/zinc/65/70/02/490657002.db2.gz RZGAYTOLETZYRY-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000572015197 491343233 /nfs/dbraw/zinc/34/32/33/491343233.db2.gz FCZDCDMXEHVLJL-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000564985746 491343550 /nfs/dbraw/zinc/34/35/50/491343550.db2.gz MKSVHGYNWOGJJF-CFVMTHIKSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000564985746 491343552 /nfs/dbraw/zinc/34/35/52/491343552.db2.gz MKSVHGYNWOGJJF-CFVMTHIKSA-N 2 1 363.458 0.998 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000572028836 491343629 /nfs/dbraw/zinc/34/36/29/491343629.db2.gz HMTRIOQEIWQUHF-CABCVRRESA-N 2 1 353.438 0.742 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486721761 490664552 /nfs/dbraw/zinc/66/45/52/490664552.db2.gz ICGGEKWPRKBDBI-YVSFHVDLSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486721761 490664557 /nfs/dbraw/zinc/66/45/57/490664557.db2.gz ICGGEKWPRKBDBI-YVSFHVDLSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486721761 490664563 /nfs/dbraw/zinc/66/45/63/490664563.db2.gz ICGGEKWPRKBDBI-YVSFHVDLSA-N 2 1 352.523 0.689 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000572027073 491343799 /nfs/dbraw/zinc/34/37/99/491343799.db2.gz XCEHQFYMKZAOAF-WAOWUJCRSA-N 2 1 370.497 0.884 20 0 FCADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)N1CCC(C)CC1 ZINC000512243114 490666452 /nfs/dbraw/zinc/66/64/52/490666452.db2.gz OIMGMMIDDHCYBB-GOSISDBHSA-N 2 1 354.539 0.613 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564988327 491344042 /nfs/dbraw/zinc/34/40/42/491344042.db2.gz AZIZMYOLBDSVGC-VUCTXSBTSA-N 2 1 360.458 0.941 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486807608 490672796 /nfs/dbraw/zinc/67/27/96/490672796.db2.gz ICOADIYTCKXIEZ-WJQMWINMSA-N 2 1 364.534 0.925 20 0 FCADMP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043797 491347492 /nfs/dbraw/zinc/34/74/92/491347492.db2.gz IPKBIEKMSWWSQH-GJZGRUSLSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043797 491347494 /nfs/dbraw/zinc/34/74/94/491347494.db2.gz IPKBIEKMSWWSQH-GJZGRUSLSA-N 2 1 358.450 0.303 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512806733 490699848 /nfs/dbraw/zinc/69/98/48/490699848.db2.gz AVXBKCGWPWZIBG-QGZVFWFLSA-N 2 1 355.527 0.112 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512806733 490699850 /nfs/dbraw/zinc/69/98/50/490699850.db2.gz AVXBKCGWPWZIBG-QGZVFWFLSA-N 2 1 355.527 0.112 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512806733 490699852 /nfs/dbraw/zinc/69/98/52/490699852.db2.gz AVXBKCGWPWZIBG-QGZVFWFLSA-N 2 1 355.527 0.112 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043861 491347628 /nfs/dbraw/zinc/34/76/28/491347628.db2.gz IPKBIEKMSWWSQH-HUUCEWRRSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043861 491347630 /nfs/dbraw/zinc/34/76/30/491347630.db2.gz IPKBIEKMSWWSQH-HUUCEWRRSA-N 2 1 358.450 0.303 20 0 FCADMP CN(C(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000512851479 490702125 /nfs/dbraw/zinc/70/21/25/490702125.db2.gz JPXQRCVYYBRBOR-SFHVURJKSA-N 2 1 367.538 0.255 20 0 FCADMP CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512851479 490702127 /nfs/dbraw/zinc/70/21/27/490702127.db2.gz JPXQRCVYYBRBOR-SFHVURJKSA-N 2 1 367.538 0.255 20 0 FCADMP CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000512851479 490702129 /nfs/dbraw/zinc/70/21/29/490702129.db2.gz JPXQRCVYYBRBOR-SFHVURJKSA-N 2 1 367.538 0.255 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557001009 491348076 /nfs/dbraw/zinc/34/80/76/491348076.db2.gz LUYQKQCGNXHFHK-GOEBONIOSA-N 2 1 359.474 0.789 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557001009 491348079 /nfs/dbraw/zinc/34/80/79/491348079.db2.gz LUYQKQCGNXHFHK-GOEBONIOSA-N 2 1 359.474 0.789 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044919 490706780 /nfs/dbraw/zinc/70/67/80/490706780.db2.gz LNSDWSYXWUTVCA-MCIONIFRSA-N 2 1 356.467 0.160 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557001611 491348716 /nfs/dbraw/zinc/34/87/16/491348716.db2.gz UPIHXHPWQYSVJI-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572103558 491348744 /nfs/dbraw/zinc/34/87/44/491348744.db2.gz NUUFEIMKTVUVEC-DOTOQJQBSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572103558 491348746 /nfs/dbraw/zinc/34/87/46/491348746.db2.gz NUUFEIMKTVUVEC-DOTOQJQBSA-N 2 1 363.506 0.609 20 0 FCADMP CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000513179431 490713223 /nfs/dbraw/zinc/71/32/23/490713223.db2.gz XYFLWSYTHHIGFO-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000513208556 490714352 /nfs/dbraw/zinc/71/43/52/490714352.db2.gz WMQMPMCTOAPFBX-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011952 491349153 /nfs/dbraw/zinc/34/91/53/491349153.db2.gz QFXWCBVFSQVGBI-WBVHZDCISA-N 2 1 362.449 0.898 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000487553958 490718044 /nfs/dbraw/zinc/71/80/44/490718044.db2.gz QLSZNTGPTJKRMR-XJNFMUPTSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000487553958 490718047 /nfs/dbraw/zinc/71/80/47/490718047.db2.gz QLSZNTGPTJKRMR-XJNFMUPTSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000487553958 490718049 /nfs/dbraw/zinc/71/80/49/490718049.db2.gz QLSZNTGPTJKRMR-XJNFMUPTSA-N 2 1 350.507 0.441 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747368 490728472 /nfs/dbraw/zinc/72/84/72/490728472.db2.gz GETUXCZSQYADEX-HNNXBMFYSA-N 2 1 362.540 0.142 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000502915761 490730095 /nfs/dbraw/zinc/73/00/95/490730095.db2.gz BNKAKGVSTSDSAX-IXDOHACOSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000502915761 490730097 /nfs/dbraw/zinc/73/00/97/490730097.db2.gz BNKAKGVSTSDSAX-IXDOHACOSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000502915761 490730099 /nfs/dbraw/zinc/73/00/99/490730099.db2.gz BNKAKGVSTSDSAX-IXDOHACOSA-N 2 1 356.511 0.584 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527662374 490752878 /nfs/dbraw/zinc/75/28/78/490752878.db2.gz XVBPRNKLSKEJSW-MRXNPFEDSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527662374 490752880 /nfs/dbraw/zinc/75/28/80/490752880.db2.gz XVBPRNKLSKEJSW-MRXNPFEDSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000557090760 491352860 /nfs/dbraw/zinc/35/28/60/491352860.db2.gz OKJKCRNBFILQEK-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000557090760 491352861 /nfs/dbraw/zinc/35/28/61/491352861.db2.gz OKJKCRNBFILQEK-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121545 491354516 /nfs/dbraw/zinc/35/45/16/491354516.db2.gz VPMNGNBRZQYZHV-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851631 490778914 /nfs/dbraw/zinc/77/89/14/490778914.db2.gz JIZKLBNKFNMNQP-MLHJIOFPSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000540051789 490806638 /nfs/dbraw/zinc/80/66/38/490806638.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 2 1 358.552 0.727 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@H+](C)C(C)C ZINC000540051789 490806640 /nfs/dbraw/zinc/80/66/40/490806640.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 2 1 358.552 0.727 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@@H+](C)C(C)C ZINC000540051789 490806641 /nfs/dbraw/zinc/80/66/41/490806641.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 2 1 358.552 0.727 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000540245189 490810862 /nfs/dbraw/zinc/81/08/62/490810862.db2.gz NHGLMLYDJVFRMT-GASCZTMLSA-N 2 1 370.494 0.552 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000540245189 490810864 /nfs/dbraw/zinc/81/08/64/490810864.db2.gz NHGLMLYDJVFRMT-GASCZTMLSA-N 2 1 370.494 0.552 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000540245190 490811070 /nfs/dbraw/zinc/81/10/70/490811070.db2.gz NHGLMLYDJVFRMT-GJZGRUSLSA-N 2 1 370.494 0.552 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000540328107 490817536 /nfs/dbraw/zinc/81/75/36/490817536.db2.gz IXAAKLBXHDVCBO-HOTGVXAUSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000540328107 490817540 /nfs/dbraw/zinc/81/75/40/490817540.db2.gz IXAAKLBXHDVCBO-HOTGVXAUSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000540328107 490817543 /nfs/dbraw/zinc/81/75/43/490817543.db2.gz IXAAKLBXHDVCBO-HOTGVXAUSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000540328107 490817547 /nfs/dbraw/zinc/81/75/47/490817547.db2.gz IXAAKLBXHDVCBO-HOTGVXAUSA-N 2 1 354.495 0.996 20 0 FCADMP CCN1C[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000565213965 491360736 /nfs/dbraw/zinc/36/07/36/491360736.db2.gz OSZTUEJWTYLNTI-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000515919441 490843670 /nfs/dbraw/zinc/84/36/70/490843670.db2.gz KRVTYOTUHJKOBC-KRWDZBQOSA-N 3 1 367.538 0.071 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000529322095 490851603 /nfs/dbraw/zinc/85/16/03/490851603.db2.gz KMALYOKIZNIDPC-MSOLQXFVSA-N 2 1 362.474 0.565 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000529322099 490851645 /nfs/dbraw/zinc/85/16/45/490851645.db2.gz KMALYOKIZNIDPC-ROUUACIJSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207286 490856912 /nfs/dbraw/zinc/85/69/12/490856912.db2.gz MSHUZCGXGSYJKD-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000572310923 491362545 /nfs/dbraw/zinc/36/25/45/491362545.db2.gz ZOWNFBLVOAGYPV-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000572310923 491362548 /nfs/dbraw/zinc/36/25/48/491362548.db2.gz ZOWNFBLVOAGYPV-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COCCN1C(=O)C[C@H]([NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000541760273 490871322 /nfs/dbraw/zinc/87/13/22/490871322.db2.gz FCFIZSONVHFCKV-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000541809489 490872789 /nfs/dbraw/zinc/87/27/89/490872789.db2.gz IUTCDJAVNCAWGY-SFHVURJKSA-N 2 1 363.550 0.252 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000516797556 490878578 /nfs/dbraw/zinc/87/85/78/490878578.db2.gz FVEAWTCZPHHQRX-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000516797556 490878579 /nfs/dbraw/zinc/87/85/79/490878579.db2.gz FVEAWTCZPHHQRX-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000516797556 490878580 /nfs/dbraw/zinc/87/85/80/490878580.db2.gz FVEAWTCZPHHQRX-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572285926 491360537 /nfs/dbraw/zinc/36/05/37/491360537.db2.gz LEEJZQSIEABIFW-RFBLXINOSA-N 2 1 354.495 0.329 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572285926 491360540 /nfs/dbraw/zinc/36/05/40/491360540.db2.gz LEEJZQSIEABIFW-RFBLXINOSA-N 2 1 354.495 0.329 20 0 FCADMP C[C@@H]1CN(C)CCN1C(=O)CCSCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000517555843 490911315 /nfs/dbraw/zinc/91/13/15/490911315.db2.gz DXGISVWPZQHOFO-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H]1CN(C)CCN1C(=O)CCSCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000517555843 490911317 /nfs/dbraw/zinc/91/13/17/490911317.db2.gz DXGISVWPZQHOFO-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H]1C[NH+](C)CCN1C(=O)CCSCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000517555843 490911318 /nfs/dbraw/zinc/91/13/18/490911318.db2.gz DXGISVWPZQHOFO-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H]1C[NH+](C)CCN1C(=O)CCSCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000517555843 490911321 /nfs/dbraw/zinc/91/13/21/490911321.db2.gz DXGISVWPZQHOFO-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP C[NH2+]CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518535749 490944587 /nfs/dbraw/zinc/94/45/87/490944587.db2.gz HQXRAVZILFHHFK-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543750915 490944797 /nfs/dbraw/zinc/94/47/97/490944797.db2.gz ILAZHLACKKYJGD-INIZCTEOSA-N 2 1 365.522 0.832 20 0 FCADMP Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189491 490945233 /nfs/dbraw/zinc/94/52/33/490945233.db2.gz GELNSVSYPGLTFI-INIZCTEOSA-N 2 1 363.510 0.826 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000519226583 490965695 /nfs/dbraw/zinc/96/56/95/490965695.db2.gz PGDRDLIGXNKFQI-GJZGRUSLSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000519226583 490965697 /nfs/dbraw/zinc/96/56/97/490965697.db2.gz PGDRDLIGXNKFQI-GJZGRUSLSA-N 2 1 364.490 0.051 20 0 FCADMP O=C(C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000572392541 491367167 /nfs/dbraw/zinc/36/71/67/491367167.db2.gz ZXDJKNOXMKKJLT-ROUUACIJSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000519369880 490970078 /nfs/dbraw/zinc/97/00/78/490970078.db2.gz GFEFYDHPNGYFIW-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCC[NH+]1CCSCC1)C[NH+]1CCCC1 ZINC000519457093 490972666 /nfs/dbraw/zinc/97/26/66/490972666.db2.gz HBQJVDZHFUYCDT-UHFFFAOYSA-N 2 1 356.536 0.390 20 0 FCADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000519536965 490974969 /nfs/dbraw/zinc/97/49/69/490974969.db2.gz LRXDMDREMBFWQH-KRWDZBQOSA-N 2 1 363.458 0.383 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000544668635 490975282 /nfs/dbraw/zinc/97/52/82/490975282.db2.gz WTRJLVFQMOTVDW-NVXWUHKLSA-N 2 1 367.538 0.946 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000531880185 490979228 /nfs/dbraw/zinc/97/92/28/490979228.db2.gz CUEXTYAEUYHTJS-INIZCTEOSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000531880185 490979230 /nfs/dbraw/zinc/97/92/30/490979230.db2.gz CUEXTYAEUYHTJS-INIZCTEOSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569560107 491168280 /nfs/dbraw/zinc/16/82/80/491168280.db2.gz FVOOVEXDXZJJRO-JOCBIADPSA-N 2 1 374.485 0.198 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569560107 491168283 /nfs/dbraw/zinc/16/82/83/491168283.db2.gz FVOOVEXDXZJJRO-JOCBIADPSA-N 2 1 374.485 0.198 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000554042691 491172913 /nfs/dbraw/zinc/17/29/13/491172913.db2.gz BYWRBUIBDSJSTC-ZJIFWQFVSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+](C)C ZINC000569756023 491189037 /nfs/dbraw/zinc/18/90/37/491189037.db2.gz UTGNOHDUFWGBCD-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000673512511 493338072 /nfs/dbraw/zinc/33/80/72/493338072.db2.gz CVCOYKQPZCGXEB-SFFUCWETSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000673512511 493338075 /nfs/dbraw/zinc/33/80/75/493338075.db2.gz CVCOYKQPZCGXEB-SFFUCWETSA-N 2 1 353.507 0.788 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561013 491383317 /nfs/dbraw/zinc/38/33/17/491383317.db2.gz DNQPPJJBSLNGMW-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CC[N@@H+]1C ZINC000660281353 493339045 /nfs/dbraw/zinc/33/90/45/493339045.db2.gz XRIOPDTZOSFLPQ-HUUCEWRRSA-N 2 1 362.478 0.023 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000572785925 491393568 /nfs/dbraw/zinc/39/35/68/491393568.db2.gz FBNGNZPKRZOILJ-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000572785925 491393569 /nfs/dbraw/zinc/39/35/69/491393569.db2.gz FBNGNZPKRZOILJ-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP O=C1CCc2cc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCC3)ccc2N1 ZINC000572841739 491396617 /nfs/dbraw/zinc/39/66/17/491396617.db2.gz ARUBYBQPTVZTJJ-HZPDHXFCSA-N 2 1 363.458 0.357 20 0 FCADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885613 491399930 /nfs/dbraw/zinc/39/99/30/491399930.db2.gz HNXCETJMXGZLKP-MSOLQXFVSA-N 2 1 372.517 0.837 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516473 493340381 /nfs/dbraw/zinc/34/03/81/493340381.db2.gz HVDWPVJMSMSHOH-VAMGGRTRSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673516473 493340383 /nfs/dbraw/zinc/34/03/83/493340383.db2.gz HVDWPVJMSMSHOH-VAMGGRTRSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673516473 493340388 /nfs/dbraw/zinc/34/03/88/493340388.db2.gz HVDWPVJMSMSHOH-VAMGGRTRSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673516473 493340392 /nfs/dbraw/zinc/34/03/92/493340392.db2.gz HVDWPVJMSMSHOH-VAMGGRTRSA-N 2 1 373.497 0.945 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000565811829 491400672 /nfs/dbraw/zinc/40/06/72/491400672.db2.gz AGIHAIPHHKPRBN-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000565811829 491400675 /nfs/dbraw/zinc/40/06/75/491400675.db2.gz AGIHAIPHHKPRBN-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966848 491404384 /nfs/dbraw/zinc/40/43/84/491404384.db2.gz KBGSZDJCQJKCMG-AEFFLSMTSA-N 2 1 369.531 0.956 20 0 FCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966848 491404386 /nfs/dbraw/zinc/40/43/86/491404386.db2.gz KBGSZDJCQJKCMG-AEFFLSMTSA-N 2 1 369.531 0.956 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCC1CC[NH2+]CC1 ZINC000565941578 491408079 /nfs/dbraw/zinc/40/80/79/491408079.db2.gz UIOFYCFKXTVQRP-UHFFFAOYSA-N 2 1 358.486 0.667 20 0 FCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660299175 493340830 /nfs/dbraw/zinc/34/08/30/493340830.db2.gz YVPQWIBTMLWSKP-ROUUACIJSA-N 2 1 368.522 0.896 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573132129 491414992 /nfs/dbraw/zinc/41/49/92/491414992.db2.gz JHCKLDIBWYBRIU-IRXDYDNUSA-N 2 1 366.506 0.033 20 0 FCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc2cnc[nH]2)c1 ZINC000573387771 491430526 /nfs/dbraw/zinc/43/05/26/491430526.db2.gz ZMNJAEBYJZSOFO-UHFFFAOYSA-N 2 1 373.457 0.967 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000573441285 491433237 /nfs/dbraw/zinc/43/32/37/491433237.db2.gz BQLWQVINKLZMAP-GOSISDBHSA-N 2 1 374.485 0.598 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496569 491448848 /nfs/dbraw/zinc/44/88/48/491448848.db2.gz SAUHAULPYJQSRS-OKZBNKHCSA-N 2 1 356.470 0.669 20 0 FCADMP COc1cnc(NCC[N@@H+]2CC=CCC2)nc1NCC[NH+]1CC=CCC1 ZINC000558945612 491449473 /nfs/dbraw/zinc/44/94/73/491449473.db2.gz FVLUDEAPQJWKPK-UHFFFAOYSA-N 2 1 358.490 0.677 20 0 FCADMP COc1cnc(NCC[NH+]2CC=CCC2)nc1NCC[N@H+]1CC=CCC1 ZINC000558945612 491449475 /nfs/dbraw/zinc/44/94/75/491449475.db2.gz FVLUDEAPQJWKPK-UHFFFAOYSA-N 2 1 358.490 0.677 20 0 FCADMP COc1cnc(NCC[NH+]2CC=CCC2)nc1NCC[N@@H+]1CC=CCC1 ZINC000558945612 491449477 /nfs/dbraw/zinc/44/94/77/491449477.db2.gz FVLUDEAPQJWKPK-UHFFFAOYSA-N 2 1 358.490 0.677 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573932095 491463981 /nfs/dbraw/zinc/46/39/81/491463981.db2.gz BWTSMMYWRJLQEQ-HOTGVXAUSA-N 2 1 368.547 0.660 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000566751480 491464656 /nfs/dbraw/zinc/46/46/56/491464656.db2.gz UBOMBHLHWLOLEN-BFYDXBDKSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000566751480 491464659 /nfs/dbraw/zinc/46/46/59/491464659.db2.gz UBOMBHLHWLOLEN-BFYDXBDKSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000566751480 491464661 /nfs/dbraw/zinc/46/46/61/491464661.db2.gz UBOMBHLHWLOLEN-BFYDXBDKSA-N 2 1 366.506 0.201 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752079 491465318 /nfs/dbraw/zinc/46/53/18/491465318.db2.gz ADCOYRQBDKHHDI-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752079 491465321 /nfs/dbraw/zinc/46/53/21/491465321.db2.gz ADCOYRQBDKHHDI-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752079 491465323 /nfs/dbraw/zinc/46/53/23/491465323.db2.gz ADCOYRQBDKHHDI-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559331085 491465362 /nfs/dbraw/zinc/46/53/62/491465362.db2.gz GFQZFIQQUXIFGQ-UHFFFAOYSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCO1 ZINC000573994736 491468109 /nfs/dbraw/zinc/46/81/09/491468109.db2.gz YZTGSAFNPDRJLN-QGZVFWFLSA-N 3 1 357.543 0.622 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000559415452 491471177 /nfs/dbraw/zinc/47/11/77/491471177.db2.gz VXKRNHVSCSCWFH-CEXWTWQISA-N 2 1 372.513 0.828 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000559417983 491471693 /nfs/dbraw/zinc/47/16/93/491471693.db2.gz FWXRKWYRLSUZGK-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911778 491474470 /nfs/dbraw/zinc/47/44/70/491474470.db2.gz MXOOUNIQEKIFPA-GHTZIAJQSA-N 2 1 372.513 0.977 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000559464566 491475324 /nfs/dbraw/zinc/47/53/24/491475324.db2.gz FIJBPDDEWVXCHG-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000559464566 491475326 /nfs/dbraw/zinc/47/53/26/491475326.db2.gz FIJBPDDEWVXCHG-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000559464566 491475327 /nfs/dbraw/zinc/47/53/27/491475327.db2.gz FIJBPDDEWVXCHG-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574141725 491476868 /nfs/dbraw/zinc/47/68/68/491476868.db2.gz LKXGSPARNOZWKT-DOTOQJQBSA-N 2 1 350.463 0.239 20 0 FCADMP C[C@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574141725 491476871 /nfs/dbraw/zinc/47/68/71/491476871.db2.gz LKXGSPARNOZWKT-DOTOQJQBSA-N 2 1 350.463 0.239 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574179958 491479484 /nfs/dbraw/zinc/47/94/84/491479484.db2.gz AIDAUNHAHAPEOM-CYJAXWMASA-N 2 1 350.507 0.681 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000574386427 491492454 /nfs/dbraw/zinc/49/24/54/491492454.db2.gz WEDYJXFZGXGEEN-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@@H+]1CCc2sccc2C1 ZINC000574383926 491492461 /nfs/dbraw/zinc/49/24/61/491492461.db2.gz VEQUFTQQWNUHPU-HIFRSBDPSA-N 2 1 351.520 0.698 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@H+]1CCc2sccc2C1 ZINC000574383926 491492463 /nfs/dbraw/zinc/49/24/63/491492463.db2.gz VEQUFTQQWNUHPU-HIFRSBDPSA-N 2 1 351.520 0.698 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000559761267 491497041 /nfs/dbraw/zinc/49/70/41/491497041.db2.gz AFGBVJYNQXHDQD-DLBZAZTESA-N 2 1 366.506 0.015 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000559761267 491497042 /nfs/dbraw/zinc/49/70/42/491497042.db2.gz AFGBVJYNQXHDQD-DLBZAZTESA-N 2 1 366.506 0.015 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000559792601 491499829 /nfs/dbraw/zinc/49/98/29/491499829.db2.gz MGHZACFVKHCFMG-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000559792601 491499832 /nfs/dbraw/zinc/49/98/32/491499832.db2.gz MGHZACFVKHCFMG-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000559792601 491499834 /nfs/dbraw/zinc/49/98/34/491499834.db2.gz MGHZACFVKHCFMG-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000559905506 491509343 /nfs/dbraw/zinc/50/93/43/491509343.db2.gz VUEBJROTBZXYPL-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559905506 491509344 /nfs/dbraw/zinc/50/93/44/491509344.db2.gz VUEBJROTBZXYPL-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559905506 491509345 /nfs/dbraw/zinc/50/93/45/491509345.db2.gz VUEBJROTBZXYPL-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559906967 491509486 /nfs/dbraw/zinc/50/94/86/491509486.db2.gz KAZMPBGAPSOXRL-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000574674696 491512971 /nfs/dbraw/zinc/51/29/71/491512971.db2.gz RZAYLTOSXBYGIX-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000574674696 491512974 /nfs/dbraw/zinc/51/29/74/491512974.db2.gz RZAYLTOSXBYGIX-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674696 491512976 /nfs/dbraw/zinc/51/29/76/491512976.db2.gz RZAYLTOSXBYGIX-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674696 491512979 /nfs/dbraw/zinc/51/29/79/491512979.db2.gz RZAYLTOSXBYGIX-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560022233 491515448 /nfs/dbraw/zinc/51/54/48/491515448.db2.gz VEZXLHYFNYDNMV-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000567589092 491515848 /nfs/dbraw/zinc/51/58/48/491515848.db2.gz WMUJNALNWJVWIW-MSOLQXFVSA-N 2 1 365.474 0.821 20 0 FCADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000567654859 491520724 /nfs/dbraw/zinc/52/07/24/491520724.db2.gz ZOSWEYDYZSWVRD-VZEFYGNVSA-N 2 1 351.472 0.576 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000574806684 491521071 /nfs/dbraw/zinc/52/10/71/491521071.db2.gz KZZYOSKDNYBXPE-GOSISDBHSA-N 2 1 373.501 0.631 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000683378253 493348385 /nfs/dbraw/zinc/34/83/85/493348385.db2.gz JXOIURGPULZEND-ROUUACIJSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000683378253 493348389 /nfs/dbraw/zinc/34/83/89/493348389.db2.gz JXOIURGPULZEND-ROUUACIJSA-N 2 1 368.522 0.994 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000574880389 491525453 /nfs/dbraw/zinc/52/54/53/491525453.db2.gz FYDSOFHNDFGLSY-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000567763491 491527778 /nfs/dbraw/zinc/52/77/78/491527778.db2.gz BOXAXRXIXULQFT-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583033 493348610 /nfs/dbraw/zinc/34/86/10/493348610.db2.gz KMOIVCGKNIUJDM-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000574939198 491529007 /nfs/dbraw/zinc/52/90/07/491529007.db2.gz GGWLXINZXMTPFR-DUVNUKRYSA-N 2 1 359.474 0.784 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981665 491531229 /nfs/dbraw/zinc/53/12/29/491531229.db2.gz YSUAGEOGXLKQGO-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575056104 491536578 /nfs/dbraw/zinc/53/65/78/491536578.db2.gz TUKUNTONOHOVIO-SJLPKXTDSA-N 2 1 373.501 0.182 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567982566 491544724 /nfs/dbraw/zinc/54/47/24/491544724.db2.gz BGUBVDHICUXVLA-MJGOQNOKSA-N 2 1 352.523 0.759 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000560664164 491551010 /nfs/dbraw/zinc/55/10/10/491551010.db2.gz YNRZQYUROHESOG-HHXXYDBFSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560664164 491551011 /nfs/dbraw/zinc/55/10/11/491551011.db2.gz YNRZQYUROHESOG-HHXXYDBFSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000560664164 491551012 /nfs/dbraw/zinc/55/10/12/491551012.db2.gz YNRZQYUROHESOG-HHXXYDBFSA-N 2 1 370.497 0.976 20 0 FCADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000575401080 491552261 /nfs/dbraw/zinc/55/22/61/491552261.db2.gz GMZDCDPVMFDNPA-SFHVURJKSA-N 2 1 356.470 0.625 20 0 FCADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000568205394 491559423 /nfs/dbraw/zinc/55/94/23/491559423.db2.gz MIRCWRMJFBGEFU-CQSZACIVSA-N 2 1 362.478 0.529 20 0 FCADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000568205394 491559427 /nfs/dbraw/zinc/55/94/27/491559427.db2.gz MIRCWRMJFBGEFU-CQSZACIVSA-N 2 1 362.478 0.529 20 0 FCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000568205394 491559429 /nfs/dbraw/zinc/55/94/29/491559429.db2.gz MIRCWRMJFBGEFU-CQSZACIVSA-N 2 1 362.478 0.529 20 0 FCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000568205394 491559433 /nfs/dbraw/zinc/55/94/33/491559433.db2.gz MIRCWRMJFBGEFU-CQSZACIVSA-N 2 1 362.478 0.529 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000560892671 491562643 /nfs/dbraw/zinc/56/26/43/491562643.db2.gz XMKJGZAXGQXJCK-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000575820484 491563350 /nfs/dbraw/zinc/56/33/50/491563350.db2.gz BVGVZORJGOYAEZ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000575820484 491563351 /nfs/dbraw/zinc/56/33/51/491563351.db2.gz BVGVZORJGOYAEZ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000575820484 491563352 /nfs/dbraw/zinc/56/33/52/491563352.db2.gz BVGVZORJGOYAEZ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000560899519 491563726 /nfs/dbraw/zinc/56/37/26/491563726.db2.gz NLKYTNIMXOEHLU-KRWDZBQOSA-N 2 1 368.522 0.405 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000561013803 491570281 /nfs/dbraw/zinc/57/02/81/491570281.db2.gz BGNDOKAKAOLATO-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000575938806 491571980 /nfs/dbraw/zinc/57/19/80/491571980.db2.gz BTFBXRQYNWQBEC-UHFFFAOYSA-N 2 1 356.511 0.452 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000568373626 491572221 /nfs/dbraw/zinc/57/22/21/491572221.db2.gz PTEYFIGJBJIKJW-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000576003959 491575380 /nfs/dbraw/zinc/57/53/80/491575380.db2.gz JESYUGXZQQHIKT-IBGZPJMESA-N 2 1 372.513 0.878 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000561121470 491576598 /nfs/dbraw/zinc/57/65/98/491576598.db2.gz MYDLNUBLDIHZLX-NVXWUHKLSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561121470 491576600 /nfs/dbraw/zinc/57/66/00/491576600.db2.gz MYDLNUBLDIHZLX-NVXWUHKLSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561121470 491576602 /nfs/dbraw/zinc/57/66/02/491576602.db2.gz MYDLNUBLDIHZLX-NVXWUHKLSA-N 2 1 366.506 0.347 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000568501510 491580691 /nfs/dbraw/zinc/58/06/91/491580691.db2.gz PBNBKMJSSDLTEI-WMLDXEAASA-N 2 1 358.442 0.938 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000584524513 491600023 /nfs/dbraw/zinc/60/00/23/491600023.db2.gz JFWGSMXFLJKPBG-OGWHTMIXSA-N 2 1 370.497 0.928 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673662170 493354389 /nfs/dbraw/zinc/35/43/89/493354389.db2.gz MMMGKPLOLDQRQT-SVFBPWRDSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673662170 493354391 /nfs/dbraw/zinc/35/43/91/493354391.db2.gz MMMGKPLOLDQRQT-SVFBPWRDSA-N 2 1 373.497 0.681 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000577218835 491603783 /nfs/dbraw/zinc/60/37/83/491603783.db2.gz LAIOKZGSKAJVJF-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000568745670 491605480 /nfs/dbraw/zinc/60/54/80/491605480.db2.gz YUUNXOXHHRHSOZ-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238523 491605866 /nfs/dbraw/zinc/60/58/66/491605866.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000577238523 491605868 /nfs/dbraw/zinc/60/58/68/491605868.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000577238523 491605870 /nfs/dbraw/zinc/60/58/70/491605870.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238523 491605872 /nfs/dbraw/zinc/60/58/72/491605872.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238523 491605874 /nfs/dbraw/zinc/60/58/74/491605874.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 2 1 367.538 0.070 20 0 FCADMP Cn1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(=O)n(C)c1=O ZINC000577244452 491606292 /nfs/dbraw/zinc/60/62/92/491606292.db2.gz VGBWJHPGSYTHBF-UHFFFAOYSA-N 2 1 361.446 0.099 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000561425492 491607061 /nfs/dbraw/zinc/60/70/61/491607061.db2.gz NFKIZFPSYQRKFZ-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1CCCC1 ZINC000561425492 491607065 /nfs/dbraw/zinc/60/70/65/491607065.db2.gz NFKIZFPSYQRKFZ-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CCCC1 ZINC000561425492 491607067 /nfs/dbraw/zinc/60/70/67/491607067.db2.gz NFKIZFPSYQRKFZ-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000568802304 491610931 /nfs/dbraw/zinc/61/09/31/491610931.db2.gz LODBNMMAIKMHIM-GJZGRUSLSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)C1 ZINC000568841794 491612937 /nfs/dbraw/zinc/61/29/37/491612937.db2.gz SGDRWUZIDRMAQD-XWTMOSNGSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)C1 ZINC000568841794 491612940 /nfs/dbraw/zinc/61/29/40/491612940.db2.gz SGDRWUZIDRMAQD-XWTMOSNGSA-N 2 1 353.507 0.552 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000577421710 491621239 /nfs/dbraw/zinc/62/12/39/491621239.db2.gz JEVWRVUOWZEBKQ-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCCN(CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356004 /nfs/dbraw/zinc/35/60/04/493356004.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCCN(CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356005 /nfs/dbraw/zinc/35/60/05/493356005.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCCN(CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356006 /nfs/dbraw/zinc/35/60/06/493356006.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[N@H+](CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356007 /nfs/dbraw/zinc/35/60/07/493356007.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[N@@H+](CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356009 /nfs/dbraw/zinc/35/60/09/493356009.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[NH+](CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356010 /nfs/dbraw/zinc/35/60/10/493356010.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[NH+](CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000673671271 493356011 /nfs/dbraw/zinc/35/60/11/493356011.db2.gz WNYSXNAMVWXRMG-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562972 491632498 /nfs/dbraw/zinc/63/24/98/491632498.db2.gz YPQHYTMRMSVGBP-YOEHRIQHSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562970 491632846 /nfs/dbraw/zinc/63/28/46/491632846.db2.gz YPQHYTMRMSVGBP-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000576654471 491633597 /nfs/dbraw/zinc/63/35/97/491633597.db2.gz NPWXRPJRDBTDON-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000561897245 491638463 /nfs/dbraw/zinc/63/84/63/491638463.db2.gz TVUNDNGAXNPYRN-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000561897246 491638942 /nfs/dbraw/zinc/63/89/42/491638942.db2.gz TVUNDNGAXNPYRN-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569216069 491642421 /nfs/dbraw/zinc/64/24/21/491642421.db2.gz PHVACGQNKAFUCX-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000577725342 491645594 /nfs/dbraw/zinc/64/55/94/491645594.db2.gz NDOXYQXJMDIWLR-VVLHAWIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000562001785 491646854 /nfs/dbraw/zinc/64/68/54/491646854.db2.gz PVBBCHSPRSCECH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CN1C[C@H]([NH+](C)CCOCC[N@H+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886627 491654523 /nfs/dbraw/zinc/65/45/23/491654523.db2.gz ZLSHKHGDALONDQ-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CN1C[C@H]([N@@H+](C)CCOCC[NH+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886627 491654525 /nfs/dbraw/zinc/65/45/25/491654525.db2.gz ZLSHKHGDALONDQ-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CN1C[C@H]([N@H+](C)CCOCC[NH+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886627 491654528 /nfs/dbraw/zinc/65/45/28/491654528.db2.gz ZLSHKHGDALONDQ-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000577851219 491656698 /nfs/dbraw/zinc/65/66/98/491656698.db2.gz GGRNPOTXJCHTDF-LUKYLMHMSA-N 2 1 371.547 0.732 20 0 FCADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000577851219 491656700 /nfs/dbraw/zinc/65/67/00/491656700.db2.gz GGRNPOTXJCHTDF-LUKYLMHMSA-N 2 1 371.547 0.732 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C2)C1 ZINC000569427282 491660797 /nfs/dbraw/zinc/66/07/97/491660797.db2.gz YRJVHJGWHDZGEY-LJQANCHMSA-N 2 1 365.522 0.716 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576987029 491662601 /nfs/dbraw/zinc/66/26/01/491662601.db2.gz STJLCKNYAKUFIJ-RBUKOAKNSA-N 2 1 357.502 0.800 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569472144 491664837 /nfs/dbraw/zinc/66/48/37/491664837.db2.gz GNSUTALWUFPLPN-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000578169384 491671413 /nfs/dbraw/zinc/67/14/13/491671413.db2.gz CGJRRCWVRGBWGO-HUUCEWRRSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000578213963 491672419 /nfs/dbraw/zinc/67/24/19/491672419.db2.gz GGFLGNURWDXSEB-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000578213963 491672418 /nfs/dbraw/zinc/67/24/18/491672418.db2.gz GGFLGNURWDXSEB-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000578384856 491676029 /nfs/dbraw/zinc/67/60/29/491676029.db2.gz OIWNJKKNVONNEC-UHFFFAOYSA-N 2 1 370.457 0.484 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000578445855 491677450 /nfs/dbraw/zinc/67/74/50/491677450.db2.gz WMKKBPJWWCEAFW-QZTJIDSGSA-N 2 1 351.539 0.014 20 0 FCADMP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000578445856 491677497 /nfs/dbraw/zinc/67/74/97/491677497.db2.gz WMKKBPJWWCEAFW-ROUUACIJSA-N 2 1 351.539 0.014 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000578551893 491679825 /nfs/dbraw/zinc/67/98/25/491679825.db2.gz MGZRRVZSKYZAHE-INIZCTEOSA-N 2 1 361.490 0.121 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000578572436 491680082 /nfs/dbraw/zinc/68/00/82/491680082.db2.gz LIYWLAQMLURIAT-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000578572436 491680083 /nfs/dbraw/zinc/68/00/83/491680083.db2.gz LIYWLAQMLURIAT-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000578572436 491680084 /nfs/dbraw/zinc/68/00/84/491680084.db2.gz LIYWLAQMLURIAT-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CNC(=O)C[NH3+] ZINC000578624740 491681020 /nfs/dbraw/zinc/68/10/20/491681020.db2.gz QLVWMWBSRXDVCQ-MRXNPFEDSA-N 2 1 370.457 0.652 20 0 FCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000578748744 491683524 /nfs/dbraw/zinc/68/35/24/491683524.db2.gz AOBGEEJVWLNDFR-VXGBXAGGSA-N 2 1 351.216 0.498 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000579092124 491690706 /nfs/dbraw/zinc/69/07/06/491690706.db2.gz SIZDAXBDPGISQY-OAHLLOKOSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000579231515 491693548 /nfs/dbraw/zinc/69/35/48/491693548.db2.gz JAUFKRYRHHSMSI-LJQANCHMSA-N 3 1 365.566 0.546 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231515 491693549 /nfs/dbraw/zinc/69/35/49/491693549.db2.gz JAUFKRYRHHSMSI-LJQANCHMSA-N 2 1 365.566 0.546 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231515 491693550 /nfs/dbraw/zinc/69/35/50/491693550.db2.gz JAUFKRYRHHSMSI-LJQANCHMSA-N 2 1 365.566 0.546 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254191 491694094 /nfs/dbraw/zinc/69/40/94/491694094.db2.gz AKLAGMKDFIASLN-CABCVRRESA-N 2 1 355.483 0.597 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000579265572 491694377 /nfs/dbraw/zinc/69/43/77/491694377.db2.gz DIYBJCRJCASCFH-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000579265572 491694378 /nfs/dbraw/zinc/69/43/78/491694378.db2.gz DIYBJCRJCASCFH-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000579265572 491694379 /nfs/dbraw/zinc/69/43/79/491694379.db2.gz DIYBJCRJCASCFH-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579700055 491703154 /nfs/dbraw/zinc/70/31/54/491703154.db2.gz LOPWFJALXSTXKN-UIBIWLFHSA-N 2 1 360.502 0.530 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](OC)C(=O)OC)CC2)CC1 ZINC000579731686 491704044 /nfs/dbraw/zinc/70/40/44/491704044.db2.gz UXLLCOXGDWENHV-INIZCTEOSA-N 2 1 355.479 0.487 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000579847317 491706716 /nfs/dbraw/zinc/70/67/16/491706716.db2.gz IYULQJNDCHMCOQ-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000579847317 491706717 /nfs/dbraw/zinc/70/67/17/491706717.db2.gz IYULQJNDCHMCOQ-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930079 491709347 /nfs/dbraw/zinc/70/93/47/491709347.db2.gz QESNOVPJNGBRCZ-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579930079 491709348 /nfs/dbraw/zinc/70/93/48/491709348.db2.gz QESNOVPJNGBRCZ-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579930079 491709349 /nfs/dbraw/zinc/70/93/49/491709349.db2.gz QESNOVPJNGBRCZ-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936350 491710218 /nfs/dbraw/zinc/71/02/18/491710218.db2.gz FSWIWODCIMRCOP-NVXWUHKLSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936350 491710220 /nfs/dbraw/zinc/71/02/20/491710220.db2.gz FSWIWODCIMRCOP-NVXWUHKLSA-N 2 1 362.474 0.247 20 0 FCADMP O=C(CN1CC[NH+](CCN2CC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000579964615 491711443 /nfs/dbraw/zinc/71/14/43/491711443.db2.gz MSHLWODVDBOWNR-UHFFFAOYSA-N 2 1 357.502 0.099 20 0 FCADMP CCC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000584723478 491711617 /nfs/dbraw/zinc/71/16/17/491711617.db2.gz XFHMRYSTLWPLKH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000584781364 491714216 /nfs/dbraw/zinc/71/42/16/491714216.db2.gz LYJCTPZDLRFISZ-BQFCYCMXSA-N 2 1 360.502 0.909 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000580062312 491715364 /nfs/dbraw/zinc/71/53/64/491715364.db2.gz DOAWSAKRIVZLTL-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000580104503 491717644 /nfs/dbraw/zinc/71/76/44/491717644.db2.gz USXCLTNNWLLXSC-UHFFFAOYSA-N 2 1 356.511 0.450 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1=O ZINC000580316064 491725699 /nfs/dbraw/zinc/72/56/99/491725699.db2.gz ULTBTIJVGAOUCR-VQHPVUNQSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580414413 491730217 /nfs/dbraw/zinc/73/02/17/491730217.db2.gz SSQMIMDIULFRAF-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580484585 491733270 /nfs/dbraw/zinc/73/32/70/491733270.db2.gz SYQDUYLIHUNFKQ-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000580538437 491734918 /nfs/dbraw/zinc/73/49/18/491734918.db2.gz HFYRFJSLTAIHAC-OCCSQVGLSA-N 2 1 350.488 0.820 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000580729231 491743529 /nfs/dbraw/zinc/74/35/29/491743529.db2.gz LLGLUNJJANRLNK-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580764489 491744608 /nfs/dbraw/zinc/74/46/08/491744608.db2.gz HCTPNIWXLWQXGX-YJBOKZPZSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580764489 491744609 /nfs/dbraw/zinc/74/46/09/491744609.db2.gz HCTPNIWXLWQXGX-YJBOKZPZSA-N 2 1 374.485 0.342 20 0 FCADMP C[N@@H+](C[C@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889305 491750302 /nfs/dbraw/zinc/75/03/02/491750302.db2.gz WNSSGHWRAONNKN-HXUWFJFHSA-N 2 1 374.529 0.929 20 0 FCADMP CN(C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889305 491750303 /nfs/dbraw/zinc/75/03/03/491750303.db2.gz WNSSGHWRAONNKN-HXUWFJFHSA-N 2 1 374.529 0.929 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580903263 491751331 /nfs/dbraw/zinc/75/13/31/491751331.db2.gz RVAHJHXXHZIGIH-GOSISDBHSA-N 2 1 358.446 0.409 20 0 FCADMP COCC[N@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000588971406 491752915 /nfs/dbraw/zinc/75/29/15/491752915.db2.gz MFEORALAKDETSQ-UHFFFAOYSA-N 2 1 363.506 0.686 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000588971406 491752916 /nfs/dbraw/zinc/75/29/16/491752916.db2.gz MFEORALAKDETSQ-UHFFFAOYSA-N 2 1 363.506 0.686 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000581179202 491762576 /nfs/dbraw/zinc/76/25/76/491762576.db2.gz SOVRFSAWRAJVFT-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000581179202 491762577 /nfs/dbraw/zinc/76/25/77/491762577.db2.gz SOVRFSAWRAJVFT-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581424159 491772520 /nfs/dbraw/zinc/77/25/20/491772520.db2.gz BQAKDMSQQLTWOT-YDZRNGNQSA-N 2 1 368.481 0.540 20 0 FCADMP CN(c1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618670 491780210 /nfs/dbraw/zinc/78/02/10/491780210.db2.gz KOYKTDHBHZBAMD-RTBURBONSA-N 3 1 371.529 0.961 20 0 FCADMP CN(c1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618670 491780211 /nfs/dbraw/zinc/78/02/11/491780211.db2.gz KOYKTDHBHZBAMD-RTBURBONSA-N 3 1 371.529 0.961 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000581717135 491783744 /nfs/dbraw/zinc/78/37/44/491783744.db2.gz YNWZDUKQKBPKKF-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581717135 491783745 /nfs/dbraw/zinc/78/37/45/491783745.db2.gz YNWZDUKQKBPKKF-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581717135 491783747 /nfs/dbraw/zinc/78/37/47/491783747.db2.gz YNWZDUKQKBPKKF-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582122840 491798764 /nfs/dbraw/zinc/79/87/64/491798764.db2.gz GOBRPKBXEBUKSA-IRXDYDNUSA-N 2 1 374.485 0.488 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000591337991 491803305 /nfs/dbraw/zinc/80/33/05/491803305.db2.gz BXOSCCVGXCVAMB-CYBMUJFWSA-N 2 1 352.439 0.013 20 0 FCADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1S(N)(=O)=O ZINC000582302010 491806720 /nfs/dbraw/zinc/80/67/20/491806720.db2.gz RFPZNCCFERHXIO-LBPRGKRZSA-N 2 1 354.476 0.640 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@@H](C)O1 ZINC000582354428 491808763 /nfs/dbraw/zinc/80/87/63/491808763.db2.gz KCRUKRDMUOGQGR-BFYDXBDKSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000591586853 491809769 /nfs/dbraw/zinc/80/97/69/491809769.db2.gz PFMWSRGGEPBAND-ZBFHGGJFSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000591586853 491809770 /nfs/dbraw/zinc/80/97/70/491809770.db2.gz PFMWSRGGEPBAND-ZBFHGGJFSA-N 2 1 353.511 0.711 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000582545800 491817106 /nfs/dbraw/zinc/81/71/06/491817106.db2.gz IJDXTLXLAZQYLS-KURKYZTESA-N 2 1 351.491 0.985 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCSC1 ZINC000582560887 491818117 /nfs/dbraw/zinc/81/81/17/491818117.db2.gz RXAPFJOJAXSCGT-QGZVFWFLSA-N 2 1 356.536 0.531 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)Cc2ccccc2)C1 ZINC000582681550 491822485 /nfs/dbraw/zinc/82/24/85/491822485.db2.gz AYCDAYGQZAASJW-OTWHNJEPSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000582681550 491822486 /nfs/dbraw/zinc/82/24/86/491822486.db2.gz AYCDAYGQZAASJW-OTWHNJEPSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000582681550 491822487 /nfs/dbraw/zinc/82/24/87/491822487.db2.gz AYCDAYGQZAASJW-OTWHNJEPSA-N 2 1 372.513 0.734 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000582779605 491826271 /nfs/dbraw/zinc/82/62/71/491826271.db2.gz DNJRJBAWFXYZSY-WNRNVDISSA-N 2 1 356.470 0.492 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000582834528 491828509 /nfs/dbraw/zinc/82/85/09/491828509.db2.gz MIMRFLYKQOCGKX-CABCVRRESA-N 2 1 367.519 0.324 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N(C)CCC[NH3+])CC2)oc1C ZINC000582916206 491832329 /nfs/dbraw/zinc/83/23/29/491832329.db2.gz SZWCCOZBNGYXQS-UHFFFAOYSA-N 2 1 365.478 0.427 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582954445 491833806 /nfs/dbraw/zinc/83/38/06/491833806.db2.gz YSGQDTPYEJQWIB-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000582978894 491835028 /nfs/dbraw/zinc/83/50/28/491835028.db2.gz YBLYMKWPHYGJNC-KRWDZBQOSA-N 2 1 370.538 0.839 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991075 491835555 /nfs/dbraw/zinc/83/55/55/491835555.db2.gz XLSHOIYZHTZLKI-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(Cc1ccccc1Cl)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000583381855 491843804 /nfs/dbraw/zinc/84/38/04/491843804.db2.gz NLQSBIRGFGZPPN-UHFFFAOYSA-N 2 1 350.894 0.932 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434841 491844825 /nfs/dbraw/zinc/84/48/25/491844825.db2.gz GHNRWGJPFWTTNH-FXAWDEMLSA-N 2 1 362.518 0.921 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000583812951 491852563 /nfs/dbraw/zinc/85/25/63/491852563.db2.gz ARLGTWPFBOJPCP-UAGQMJEPSA-N 2 1 360.458 0.226 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000583812951 491852564 /nfs/dbraw/zinc/85/25/64/491852564.db2.gz ARLGTWPFBOJPCP-UAGQMJEPSA-N 2 1 360.458 0.226 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850460 491853259 /nfs/dbraw/zinc/85/32/59/491853259.db2.gz MWTXLVWGYVKXFR-HIFRSBDPSA-N 2 1 359.492 0.266 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000583897950 491854418 /nfs/dbraw/zinc/85/44/18/491854418.db2.gz TUOPTAJAVCRRRS-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC000584226071 491861094 /nfs/dbraw/zinc/86/10/94/491861094.db2.gz HMMAHTCVSHWYOO-CEXWTWQISA-N 2 1 370.497 0.917 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257564 491861834 /nfs/dbraw/zinc/86/18/34/491861834.db2.gz YMUREDJEWZQARK-KLHDSHLOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257564 491861835 /nfs/dbraw/zinc/86/18/35/491861835.db2.gz YMUREDJEWZQARK-KLHDSHLOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257564 491861836 /nfs/dbraw/zinc/86/18/36/491861836.db2.gz YMUREDJEWZQARK-KLHDSHLOSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000584355983 491863803 /nfs/dbraw/zinc/86/38/03/491863803.db2.gz UEGVAJNOWGKCTA-VQTJNVASSA-N 2 1 372.513 0.702 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000611651035 491865711 /nfs/dbraw/zinc/86/57/11/491865711.db2.gz UASRGAVNSSLQAY-YQQAZPJKSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000611757684 491872512 /nfs/dbraw/zinc/87/25/12/491872512.db2.gz HBYLEHBBGAFOCW-OAHLLOKOSA-N 2 1 362.518 0.991 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000612544624 491931424 /nfs/dbraw/zinc/93/14/24/491931424.db2.gz FQQWWGGQNHARPP-HNNXBMFYSA-N 2 1 350.463 0.770 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000612545353 491931533 /nfs/dbraw/zinc/93/15/33/491931533.db2.gz KDHUZKWCZCZVLO-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000612545353 491931536 /nfs/dbraw/zinc/93/15/36/491931536.db2.gz KDHUZKWCZCZVLO-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000612597675 491937441 /nfs/dbraw/zinc/93/74/41/491937441.db2.gz JZNPUAMRYAJCLP-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000612597675 491937443 /nfs/dbraw/zinc/93/74/43/491937443.db2.gz JZNPUAMRYAJCLP-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612599188 491938000 /nfs/dbraw/zinc/93/80/00/491938000.db2.gz QRGZDZDRQIPJOE-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612603753 491938333 /nfs/dbraw/zinc/93/83/33/491938333.db2.gz LLGLKADVQMRTQU-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000612962387 491959696 /nfs/dbraw/zinc/95/96/96/491959696.db2.gz HBPLZRWHEKGCHS-MRXNPFEDSA-N 2 1 363.506 0.324 20 0 FCADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896745 491960035 /nfs/dbraw/zinc/96/00/35/491960035.db2.gz WYCIKPJPXWRKRS-YHUYYLMFSA-N 2 1 353.463 0.369 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCN3C(=O)CCC3=O)C2)CC1 ZINC000602194323 491966843 /nfs/dbraw/zinc/96/68/43/491966843.db2.gz GTSXNQJMEBLXCH-CQSZACIVSA-N 2 1 350.463 0.200 20 0 FCADMP COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000603844286 492043220 /nfs/dbraw/zinc/04/32/20/492043220.db2.gz JZCCMMDTNBTGQZ-SOUVJXGZSA-N 2 1 350.415 0.373 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668227 492067691 /nfs/dbraw/zinc/06/76/91/492067691.db2.gz VQSKZSQOGRXPLZ-ZWKOTPCHSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668227 492067693 /nfs/dbraw/zinc/06/76/93/492067693.db2.gz VQSKZSQOGRXPLZ-ZWKOTPCHSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668227 492067694 /nfs/dbraw/zinc/06/76/94/492067694.db2.gz VQSKZSQOGRXPLZ-ZWKOTPCHSA-N 2 1 365.522 0.176 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604668150 492067993 /nfs/dbraw/zinc/06/79/93/492067993.db2.gz SWUUBRYRNZOAPT-MSOLQXFVSA-N 2 1 367.538 0.565 20 0 FCADMP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274046 492083699 /nfs/dbraw/zinc/08/36/99/492083699.db2.gz KHDNRVGSQRVJEZ-HXUWFJFHSA-N 2 1 371.529 0.999 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274046 492083701 /nfs/dbraw/zinc/08/37/01/492083701.db2.gz KHDNRVGSQRVJEZ-HXUWFJFHSA-N 2 1 371.529 0.999 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274046 492083703 /nfs/dbraw/zinc/08/37/03/492083703.db2.gz KHDNRVGSQRVJEZ-HXUWFJFHSA-N 2 1 371.529 0.999 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000605884704 492104945 /nfs/dbraw/zinc/10/49/45/492104945.db2.gz UAYCHWUWODHFIN-ZBFHGGJFSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000605884704 492104948 /nfs/dbraw/zinc/10/49/48/492104948.db2.gz UAYCHWUWODHFIN-ZBFHGGJFSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000605884704 492104949 /nfs/dbraw/zinc/10/49/49/492104949.db2.gz UAYCHWUWODHFIN-ZBFHGGJFSA-N 2 1 351.495 0.642 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633827 492125304 /nfs/dbraw/zinc/12/53/04/492125304.db2.gz WMWLPQNTXPGUQO-IRXDYDNUSA-N 2 1 355.527 0.278 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000606653366 492125427 /nfs/dbraw/zinc/12/54/27/492125427.db2.gz RBBXZGUPIXBGFQ-YYIAUSFCSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000606653366 492125428 /nfs/dbraw/zinc/12/54/28/492125428.db2.gz RBBXZGUPIXBGFQ-YYIAUSFCSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000606653366 492125430 /nfs/dbraw/zinc/12/54/30/492125430.db2.gz RBBXZGUPIXBGFQ-YYIAUSFCSA-N 2 1 367.538 0.992 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000606684776 492126295 /nfs/dbraw/zinc/12/62/95/492126295.db2.gz MZWJEPJJEYAICL-KRWDZBQOSA-N 2 1 367.538 0.911 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000606663301 492126358 /nfs/dbraw/zinc/12/63/58/492126358.db2.gz MRGBCYHEZBYDSK-MRXNPFEDSA-N 2 1 353.511 0.747 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000607689505 492149114 /nfs/dbraw/zinc/14/91/14/492149114.db2.gz ATTGOOUIYYTXON-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000607689505 492149116 /nfs/dbraw/zinc/14/91/16/492149116.db2.gz ATTGOOUIYYTXON-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000607689505 492149118 /nfs/dbraw/zinc/14/91/18/492149118.db2.gz ATTGOOUIYYTXON-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000607689507 492149175 /nfs/dbraw/zinc/14/91/75/492149175.db2.gz ATTGOOUIYYTXON-YLFCFFPRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000607689507 492149176 /nfs/dbraw/zinc/14/91/76/492149176.db2.gz ATTGOOUIYYTXON-YLFCFFPRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000607689507 492149177 /nfs/dbraw/zinc/14/91/77/492149177.db2.gz ATTGOOUIYYTXON-YLFCFFPRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479309 492177606 /nfs/dbraw/zinc/17/76/06/492177606.db2.gz PQRHMTUHTZVREY-PXNSSMCTSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479309 492177607 /nfs/dbraw/zinc/17/76/07/492177607.db2.gz PQRHMTUHTZVREY-PXNSSMCTSA-N 2 1 360.502 0.376 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000608690671 492187369 /nfs/dbraw/zinc/18/73/69/492187369.db2.gz DQYIQAXKTJEUCK-IAGOWNOFSA-N 2 1 365.522 0.844 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000610250147 492239048 /nfs/dbraw/zinc/23/90/48/492239048.db2.gz BKFYHWFHIMRKPQ-ZGXWSNOMSA-N 2 1 368.566 0.557 20 0 FCADMP CN(CCOCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000619324317 492260706 /nfs/dbraw/zinc/26/07/06/492260706.db2.gz JUOVPGYNIQVTNK-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000619324317 492260709 /nfs/dbraw/zinc/26/07/09/492260709.db2.gz JUOVPGYNIQVTNK-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000619324317 492260712 /nfs/dbraw/zinc/26/07/12/492260712.db2.gz JUOVPGYNIQVTNK-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654379027 492296155 /nfs/dbraw/zinc/29/61/55/492296155.db2.gz MJXNGXHFKAEKSC-CVEARBPZSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654379027 492296161 /nfs/dbraw/zinc/29/61/61/492296161.db2.gz MJXNGXHFKAEKSC-CVEARBPZSA-N 2 1 351.495 0.513 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000654450174 492305696 /nfs/dbraw/zinc/30/56/96/492305696.db2.gz DCRJCZKXNPRSLO-ZACQAIPSSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654450174 492305698 /nfs/dbraw/zinc/30/56/98/492305698.db2.gz DCRJCZKXNPRSLO-ZACQAIPSSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000654450174 492305703 /nfs/dbraw/zinc/30/57/03/492305703.db2.gz DCRJCZKXNPRSLO-ZACQAIPSSA-N 2 1 365.522 0.890 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469229 492308068 /nfs/dbraw/zinc/30/80/68/492308068.db2.gz OLZBWZXGHJEQBA-ROUUACIJSA-N 2 1 374.485 0.072 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469230 492308098 /nfs/dbraw/zinc/30/80/98/492308098.db2.gz OLZBWZXGHJEQBA-ZWKOTPCHSA-N 2 1 374.485 0.072 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000641820363 492309409 /nfs/dbraw/zinc/30/94/09/492309409.db2.gz AOXAKYAGBYKGEQ-UHFFFAOYSA-N 2 1 362.474 0.743 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000641824975 492310454 /nfs/dbraw/zinc/31/04/54/492310454.db2.gz OYVLXERVQCKSQZ-RYUDHWBXSA-N 2 1 364.412 0.525 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000641824975 492310455 /nfs/dbraw/zinc/31/04/55/492310455.db2.gz OYVLXERVQCKSQZ-RYUDHWBXSA-N 2 1 364.412 0.525 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000641825877 492311407 /nfs/dbraw/zinc/31/14/07/492311407.db2.gz YGSXIXWASVPGNB-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000641825877 492311409 /nfs/dbraw/zinc/31/14/09/492311409.db2.gz YGSXIXWASVPGNB-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485723 492314218 /nfs/dbraw/zinc/31/42/18/492314218.db2.gz WSKHXFMSLKWQME-PZJWPPBQSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000620485723 492314222 /nfs/dbraw/zinc/31/42/22/492314222.db2.gz WSKHXFMSLKWQME-PZJWPPBQSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000620485723 492314225 /nfs/dbraw/zinc/31/42/25/492314225.db2.gz WSKHXFMSLKWQME-PZJWPPBQSA-N 2 1 373.497 0.681 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202088 492326167 /nfs/dbraw/zinc/32/61/67/492326167.db2.gz DOVHDKVSJHXZJK-IAGOWNOFSA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202088 492326170 /nfs/dbraw/zinc/32/61/70/492326170.db2.gz DOVHDKVSJHXZJK-IAGOWNOFSA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202088 492326174 /nfs/dbraw/zinc/32/61/74/492326174.db2.gz DOVHDKVSJHXZJK-IAGOWNOFSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000642083305 492331628 /nfs/dbraw/zinc/33/16/28/492331628.db2.gz UYTAOZAZHBQATB-LZWOXQAQSA-N 2 1 364.446 0.107 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596995 492332381 /nfs/dbraw/zinc/33/23/81/492332381.db2.gz CINCZCYTBVBALW-UOVPBQLFSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655015 492332910 /nfs/dbraw/zinc/33/29/10/492332910.db2.gz BEHKZJQPKLLYIW-LMMHAMTPSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655015 492332914 /nfs/dbraw/zinc/33/29/14/492332914.db2.gz BEHKZJQPKLLYIW-LMMHAMTPSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655015 492332917 /nfs/dbraw/zinc/33/29/17/492332917.db2.gz BEHKZJQPKLLYIW-LMMHAMTPSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655015 492332920 /nfs/dbraw/zinc/33/29/20/492332920.db2.gz BEHKZJQPKLLYIW-LMMHAMTPSA-N 2 1 368.522 0.771 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642101819 492335255 /nfs/dbraw/zinc/33/52/55/492335255.db2.gz SXIQJDRIOVCLHB-RCCFBDPRSA-N 2 1 356.470 0.588 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642119462 492336716 /nfs/dbraw/zinc/33/67/16/492336716.db2.gz RPCWAYJGDJTONB-XHSDSOJGSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195157 492340276 /nfs/dbraw/zinc/34/02/76/492340276.db2.gz ABKGYEUHCLSXGB-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642253934 492345857 /nfs/dbraw/zinc/34/58/57/492345857.db2.gz RGYFVILNFDCELN-ZWKOTPCHSA-N 2 1 374.485 0.119 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654758043 492347063 /nfs/dbraw/zinc/34/70/63/492347063.db2.gz OILNFJGSYGRQAV-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654758043 492347065 /nfs/dbraw/zinc/34/70/65/492347065.db2.gz OILNFJGSYGRQAV-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654758043 492347070 /nfs/dbraw/zinc/34/70/70/492347070.db2.gz OILNFJGSYGRQAV-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654773603 492349647 /nfs/dbraw/zinc/34/96/47/492349647.db2.gz DZQKPBQGUDJCFW-KRWDZBQOSA-N 2 1 362.522 0.685 20 0 FCADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000654773603 492349652 /nfs/dbraw/zinc/34/96/52/492349652.db2.gz DZQKPBQGUDJCFW-KRWDZBQOSA-N 2 1 362.522 0.685 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642394718 492356965 /nfs/dbraw/zinc/35/69/65/492356965.db2.gz GDPCRAXODYHYKB-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642394718 492356967 /nfs/dbraw/zinc/35/69/67/492356967.db2.gz GDPCRAXODYHYKB-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000642394717 492357023 /nfs/dbraw/zinc/35/70/23/492357023.db2.gz GDPCRAXODYHYKB-KFWWJZLASA-N 2 1 354.495 0.249 20 0 FCADMP CCN(CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000634642640 492357672 /nfs/dbraw/zinc/35/76/72/492357672.db2.gz NRYDWGNELMOWEY-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP CCN(CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000634642640 492357674 /nfs/dbraw/zinc/35/76/74/492357674.db2.gz NRYDWGNELMOWEY-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000634709343 492361935 /nfs/dbraw/zinc/36/19/35/492361935.db2.gz HUAOTWDGMMDGFS-HBFSDRIKSA-N 2 1 361.486 0.849 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000634709343 492361940 /nfs/dbraw/zinc/36/19/40/492361940.db2.gz HUAOTWDGMMDGFS-HBFSDRIKSA-N 2 1 361.486 0.849 20 0 FCADMP CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634709267 492362287 /nfs/dbraw/zinc/36/22/87/492362287.db2.gz GUDBDGNHRJXMOQ-MSOLQXFVSA-N 2 1 367.515 0.495 20 0 FCADMP CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634709267 492362293 /nfs/dbraw/zinc/36/22/93/492362293.db2.gz GUDBDGNHRJXMOQ-MSOLQXFVSA-N 2 1 367.515 0.495 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000642540795 492362833 /nfs/dbraw/zinc/36/28/33/492362833.db2.gz OBMNMBSEDYNBIP-CQSZACIVSA-N 2 1 364.515 0.945 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642640152 492367992 /nfs/dbraw/zinc/36/79/92/492367992.db2.gz AULBWZQXZQWDIO-BRWVUGGUSA-N 2 1 350.507 0.681 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000647835670 492368514 /nfs/dbraw/zinc/36/85/14/492368514.db2.gz HRWHWBMOTOYIFU-SFHVURJKSA-N 2 1 364.465 0.563 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000647835670 492368516 /nfs/dbraw/zinc/36/85/16/492368516.db2.gz HRWHWBMOTOYIFU-SFHVURJKSA-N 2 1 364.465 0.563 20 0 FCADMP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(OC)c1 ZINC000647835054 492368955 /nfs/dbraw/zinc/36/89/55/492368955.db2.gz KLWHSCHAMXWPDO-CQSZACIVSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(OC)c1 ZINC000647835054 492368958 /nfs/dbraw/zinc/36/89/58/492368958.db2.gz KLWHSCHAMXWPDO-CQSZACIVSA-N 2 1 350.463 0.868 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640963 492369041 /nfs/dbraw/zinc/36/90/41/492369041.db2.gz SGZCAMBSGSIKRG-RCCFBDPRSA-N 2 1 358.486 0.739 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640735 492369264 /nfs/dbraw/zinc/36/92/64/492369264.db2.gz PTFSXPVUZWAJAL-KZNAEPCWSA-N 2 1 358.486 0.820 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640961 492369302 /nfs/dbraw/zinc/36/93/02/492369302.db2.gz SGZCAMBSGSIKRG-KZNAEPCWSA-N 2 1 358.486 0.739 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000642723184 492379493 /nfs/dbraw/zinc/37/94/93/492379493.db2.gz VZGURVAIHSXSSH-GOSISDBHSA-N 2 1 358.486 0.617 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000642723184 492379498 /nfs/dbraw/zinc/37/94/98/492379498.db2.gz VZGURVAIHSXSSH-GOSISDBHSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729087 492381569 /nfs/dbraw/zinc/38/15/69/492381569.db2.gz DIUOYKZOJSIMRW-WBVHZDCISA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728638 492381647 /nfs/dbraw/zinc/38/16/47/492381647.db2.gz OCFPCACCZTVUQX-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728638 492381649 /nfs/dbraw/zinc/38/16/49/492381649.db2.gz OCFPCACCZTVUQX-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000642732686 492382453 /nfs/dbraw/zinc/38/24/53/492382453.db2.gz QAQNWAGVOLWBRY-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCCCC1 ZINC000642732687 492382545 /nfs/dbraw/zinc/38/25/45/492382545.db2.gz QAQNWAGVOLWBRY-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642733045 492382912 /nfs/dbraw/zinc/38/29/12/492382912.db2.gz TTYPVGDNZMHVOT-MAUKXSAKSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642733044 492383081 /nfs/dbraw/zinc/38/30/81/492383081.db2.gz TTYPVGDNZMHVOT-CRAIPNDOSA-N 2 1 374.485 0.126 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000654947960 492384121 /nfs/dbraw/zinc/38/41/21/492384121.db2.gz XDHIXLRJUIBUCS-CABCVRRESA-N 2 1 362.478 0.516 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000642750489 492384293 /nfs/dbraw/zinc/38/42/93/492384293.db2.gz FODMATWKRAWVJN-OWCLPIDISA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744945 492385220 /nfs/dbraw/zinc/38/52/20/492385220.db2.gz RIZNKTLTXLPIMN-CGTJXYLNSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744945 492385222 /nfs/dbraw/zinc/38/52/22/492385222.db2.gz RIZNKTLTXLPIMN-CGTJXYLNSA-N 2 1 374.485 0.199 20 0 FCADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937831 492386088 /nfs/dbraw/zinc/38/60/88/492386088.db2.gz CSUOZRICIRSFHW-IUODEOHRSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642759550 492386708 /nfs/dbraw/zinc/38/67/08/492386708.db2.gz OLTITRPAYABPDB-BVBHFADKSA-N 2 1 370.497 0.834 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778961 492388801 /nfs/dbraw/zinc/38/88/01/492388801.db2.gz TZWBALMDVQUUTI-CABCVRRESA-N 2 1 359.474 0.802 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cn2)CC1 ZINC000635099834 492392742 /nfs/dbraw/zinc/39/27/42/492392742.db2.gz OKYYSIVRJGXJTB-RHSMWYFYSA-N 2 1 374.489 0.641 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000642894160 492398288 /nfs/dbraw/zinc/39/82/88/492398288.db2.gz YKMVWBUMOIWVRO-UHFFFAOYSA-N 2 1 358.486 0.898 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642908240 492401698 /nfs/dbraw/zinc/40/16/98/492401698.db2.gz MEIHWTYYWFOAPL-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP CC1([NH3+])CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000648121331 492402615 /nfs/dbraw/zinc/40/26/15/492402615.db2.gz DHOMOWWFRXNCOH-OAHLLOKOSA-N 2 1 352.479 0.040 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000642914702 492403195 /nfs/dbraw/zinc/40/31/95/492403195.db2.gz HZJBUGSYLIOLTM-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@H]1[NH3+] ZINC000648126520 492403560 /nfs/dbraw/zinc/40/35/60/492403560.db2.gz LQUPAOLVSRIJRM-BRWVUGGUSA-N 2 1 366.506 0.286 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918791 492404196 /nfs/dbraw/zinc/40/41/96/492404196.db2.gz CHYRTRZWFKBBEU-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642940941 492405762 /nfs/dbraw/zinc/40/57/62/492405762.db2.gz NBAVKLZZMUAVIG-DOTOQJQBSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642940941 492405764 /nfs/dbraw/zinc/40/57/64/492405764.db2.gz NBAVKLZZMUAVIG-DOTOQJQBSA-N 2 1 367.538 0.103 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973553 492409425 /nfs/dbraw/zinc/40/94/25/492409425.db2.gz DNJOFGKGVIVGPT-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973554 492409591 /nfs/dbraw/zinc/40/95/91/492409591.db2.gz DNJOFGKGVIVGPT-MDYRTPRTSA-N 2 1 362.518 0.968 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000642980616 492410536 /nfs/dbraw/zinc/41/05/36/492410536.db2.gz IMWRGIDTFDICDN-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000642980616 492410539 /nfs/dbraw/zinc/41/05/39/492410539.db2.gz IMWRGIDTFDICDN-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984286 492410897 /nfs/dbraw/zinc/41/08/97/492410897.db2.gz BXICLCQMLURPPB-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643003996 492412449 /nfs/dbraw/zinc/41/24/49/492412449.db2.gz HPPFISJVHZLRBJ-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642991945 492412955 /nfs/dbraw/zinc/41/29/55/492412955.db2.gz CFSCTDQCTCWOAB-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621837878 492421278 /nfs/dbraw/zinc/42/12/78/492421278.db2.gz SLMVUBPBQXLZRN-ZWOKBUDYSA-N 2 1 356.470 0.717 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635279987 492427350 /nfs/dbraw/zinc/42/73/50/492427350.db2.gz QHTWTAVHEYOYLX-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000627981570 492432746 /nfs/dbraw/zinc/43/27/46/492432746.db2.gz BLDMRVXTDLDMIF-GOSISDBHSA-N 2 1 374.485 0.446 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449721 492444133 /nfs/dbraw/zinc/44/41/33/492444133.db2.gz MWNVMFPWZWQQSV-APWZRJJASA-N 2 1 358.490 0.495 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000622029443 492444318 /nfs/dbraw/zinc/44/43/18/492444318.db2.gz GRGWHKAZJOEGAS-MQJTVSLUSA-N 2 1 360.502 0.802 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622029307 492444568 /nfs/dbraw/zinc/44/45/68/492444568.db2.gz DMNUTDWQQJIIPR-HNAYVOBHSA-N 2 1 366.506 0.143 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000643416855 492453046 /nfs/dbraw/zinc/45/30/46/492453046.db2.gz OYJUOFVXMUGTSN-UHFFFAOYSA-N 2 1 359.474 0.721 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556306 492455704 /nfs/dbraw/zinc/45/57/04/492455704.db2.gz HLOYDYJRSHFXAX-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655556306 492455709 /nfs/dbraw/zinc/45/57/09/492455709.db2.gz HLOYDYJRSHFXAX-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655556306 492455712 /nfs/dbraw/zinc/45/57/12/492455712.db2.gz HLOYDYJRSHFXAX-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556359 492455740 /nfs/dbraw/zinc/45/57/40/492455740.db2.gz MADAKBSDRYUGQM-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556359 492455745 /nfs/dbraw/zinc/45/57/45/492455745.db2.gz MADAKBSDRYUGQM-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556359 492455748 /nfs/dbraw/zinc/45/57/48/492455748.db2.gz MADAKBSDRYUGQM-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528233 492463695 /nfs/dbraw/zinc/46/36/95/492463695.db2.gz PMLAGRUEALWXEO-SJLPKXTDSA-N 2 1 369.473 0.968 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000643480795 492476806 /nfs/dbraw/zinc/47/68/06/492476806.db2.gz JPPJTPOTVORDED-MOPGFXCFSA-N 2 1 370.497 0.584 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000643481001 492476976 /nfs/dbraw/zinc/47/69/76/492476976.db2.gz WTBIGZFBWQSHCS-GOSISDBHSA-N 2 1 358.486 0.918 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000643480840 492477144 /nfs/dbraw/zinc/47/71/44/492477144.db2.gz ZMGLBVAWDAQQKS-MOPGFXCFSA-N 2 1 372.513 0.959 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000655744665 492479819 /nfs/dbraw/zinc/47/98/19/492479819.db2.gz RZTKFZMHOHAYEJ-GMBSWORKSA-N 2 1 364.490 0.940 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000643492339 492480477 /nfs/dbraw/zinc/48/04/77/492480477.db2.gz AHIJYNROFCODCK-HZPDHXFCSA-N 2 1 357.458 0.249 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)CC2)c1 ZINC000643492402 492481070 /nfs/dbraw/zinc/48/10/70/492481070.db2.gz MBLRCUGYYLTYAB-MRXNPFEDSA-N 2 1 359.474 0.495 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643494155 492481291 /nfs/dbraw/zinc/48/12/91/492481291.db2.gz MDPXARJHTATZNP-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000643494214 492481798 /nfs/dbraw/zinc/48/17/98/492481798.db2.gz QTMRXSDRKJVNJC-KRWDZBQOSA-N 2 1 350.507 0.908 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000643503502 492483578 /nfs/dbraw/zinc/48/35/78/492483578.db2.gz JJKPHVAJJIJLAJ-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000643503628 492483768 /nfs/dbraw/zinc/48/37/68/492483768.db2.gz OLBMYNUTZXXUNJ-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643513585 492486594 /nfs/dbraw/zinc/48/65/94/492486594.db2.gz QYJMDCQGHGEYGW-DLBZAZTESA-N 2 1 367.538 0.057 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531826 492491464 /nfs/dbraw/zinc/49/14/64/492491464.db2.gz OQYXWPCJNYVKRG-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000643531857 492492327 /nfs/dbraw/zinc/49/23/27/492492327.db2.gz QOGBIBJHEZVKRJ-JFIYKMOQSA-N 2 1 358.486 0.928 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531828 492492352 /nfs/dbraw/zinc/49/23/52/492492352.db2.gz OXFUIBRWLBMHFA-JQHSSLGASA-N 2 1 358.486 0.915 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643532532 492492678 /nfs/dbraw/zinc/49/26/78/492492678.db2.gz SCTCENOPJSIGHG-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643532530 492493098 /nfs/dbraw/zinc/49/30/98/492493098.db2.gz SCTCENOPJSIGHG-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000643549827 492496852 /nfs/dbraw/zinc/49/68/52/492496852.db2.gz TYUXYZCLUDBRLG-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000655973385 492500135 /nfs/dbraw/zinc/50/01/35/492500135.db2.gz FQZALKKMVMRDGA-ZACQAIPSSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000655973385 492500139 /nfs/dbraw/zinc/50/01/39/492500139.db2.gz FQZALKKMVMRDGA-ZACQAIPSSA-N 2 1 363.506 0.609 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1Cc1ccccc1 ZINC000643593951 492503508 /nfs/dbraw/zinc/50/35/08/492503508.db2.gz MMHLSGMSOWJBME-SQNIBIBYSA-N 2 1 356.470 0.192 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1Cc1ccccc1 ZINC000643593951 492503512 /nfs/dbraw/zinc/50/35/12/492503512.db2.gz MMHLSGMSOWJBME-SQNIBIBYSA-N 2 1 356.470 0.192 20 0 FCADMP Cc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nnn1C1CC[NH2+]CC1 ZINC000649320934 492532012 /nfs/dbraw/zinc/53/20/12/492532012.db2.gz GGNLKEPNPUAOJV-CVEARBPZSA-N 2 1 362.478 0.182 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077855 492539175 /nfs/dbraw/zinc/53/91/75/492539175.db2.gz XRMGFYVKMNAEEW-UUAJXVIYSA-N 2 1 368.522 0.541 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)C12CCC[NH+](CCC1)C2 ZINC000636016197 492540106 /nfs/dbraw/zinc/54/01/06/492540106.db2.gz NOKXJQNKWCLTFK-UHFFFAOYSA-N 2 1 351.491 0.860 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649346579 492541791 /nfs/dbraw/zinc/54/17/91/492541791.db2.gz SZQZYDXDFJYDOY-DZFIZOCASA-N 2 1 356.470 0.797 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649351707 492543989 /nfs/dbraw/zinc/54/39/89/492543989.db2.gz LDJLARWASIFPAA-CYBMUJFWSA-N 3 1 356.434 0.212 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC000649352919 492546570 /nfs/dbraw/zinc/54/65/70/492546570.db2.gz UIWWDNBEVKEDOH-QGZVFWFLSA-N 2 1 360.506 0.200 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C[C@H]2[NH3+])cn1 ZINC000649369639 492548397 /nfs/dbraw/zinc/54/83/97/492548397.db2.gz IPDNGOYWRWYZMO-RCCFBDPRSA-N 2 1 354.458 0.733 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C[C@H]2[NH3+])cn1 ZINC000649369639 492548400 /nfs/dbraw/zinc/54/84/00/492548400.db2.gz IPDNGOYWRWYZMO-RCCFBDPRSA-N 2 1 354.458 0.733 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656300836 492577547 /nfs/dbraw/zinc/57/75/47/492577547.db2.gz DLUIRNBYJKAETE-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656301133 492578574 /nfs/dbraw/zinc/57/85/74/492578574.db2.gz HVDMFLSMHMDBOW-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000636317819 492581906 /nfs/dbraw/zinc/58/19/06/492581906.db2.gz MDGJTMBZZRSOGM-GOSISDBHSA-N 2 1 373.501 0.526 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000636317819 492581911 /nfs/dbraw/zinc/58/19/11/492581911.db2.gz MDGJTMBZZRSOGM-GOSISDBHSA-N 2 1 373.501 0.526 20 0 FCADMP COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)[NH+](C)C)c1 ZINC000636473402 492595037 /nfs/dbraw/zinc/59/50/37/492595037.db2.gz ZOSBGQBVUWYXFZ-DOTOQJQBSA-N 2 1 350.463 0.664 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656336895 492600770 /nfs/dbraw/zinc/60/07/70/492600770.db2.gz DLHMDGCBHUHFGU-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656336895 492600774 /nfs/dbraw/zinc/60/07/74/492600774.db2.gz DLHMDGCBHUHFGU-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656336895 492600777 /nfs/dbraw/zinc/60/07/77/492600777.db2.gz DLHMDGCBHUHFGU-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656360636 492613452 /nfs/dbraw/zinc/61/34/52/492613452.db2.gz UTTUSZMXQYQZIY-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636567654 492623748 /nfs/dbraw/zinc/62/37/48/492623748.db2.gz KSDJJBTVMLBCGC-SFHVURJKSA-N 2 1 361.490 0.174 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636567654 492623751 /nfs/dbraw/zinc/62/37/51/492623751.db2.gz KSDJJBTVMLBCGC-SFHVURJKSA-N 2 1 361.490 0.174 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000629418123 492624416 /nfs/dbraw/zinc/62/44/16/492624416.db2.gz MVAQWKBBDXEFHL-KRWDZBQOSA-N 2 1 350.507 0.480 20 0 FCADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000629558691 492644750 /nfs/dbraw/zinc/64/47/50/492644750.db2.gz LVGLJRZRPCVITA-QGZVFWFLSA-N 2 1 361.490 0.167 20 0 FCADMP COc1cccc([C@@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[NH+](C)C)c1 ZINC000650566126 492651150 /nfs/dbraw/zinc/65/11/50/492651150.db2.gz ROGQPLLKIKIKBE-SJLPKXTDSA-N 2 1 362.474 0.758 20 0 FCADMP COc1cccc([C@@H](CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[NH+](C)C)c1 ZINC000650566126 492651155 /nfs/dbraw/zinc/65/11/55/492651155.db2.gz ROGQPLLKIKIKBE-SJLPKXTDSA-N 2 1 362.474 0.758 20 0 FCADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629578820 492655930 /nfs/dbraw/zinc/65/59/30/492655930.db2.gz HEADNZZHMVIWMF-ZIAGYGMSSA-N 2 1 351.447 0.931 20 0 FCADMP C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000624615017 492666582 /nfs/dbraw/zinc/66/65/82/492666582.db2.gz JJRSNJXEKCPCJB-KRWDZBQOSA-N 2 1 365.522 0.668 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624787027 492683715 /nfs/dbraw/zinc/68/37/15/492683715.db2.gz OLALZXBITBMCMD-ZBFHGGJFSA-N 2 1 351.495 0.765 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(C)n1C ZINC000624943739 492700497 /nfs/dbraw/zinc/70/04/97/492700497.db2.gz QRAVLQZWZPJUBP-HNNXBMFYSA-N 2 1 357.524 0.765 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000651228949 492724048 /nfs/dbraw/zinc/72/40/48/492724048.db2.gz BJXUNLVKJBPEOS-WBVHZDCISA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000651228949 492724053 /nfs/dbraw/zinc/72/40/53/492724053.db2.gz BJXUNLVKJBPEOS-WBVHZDCISA-N 2 1 361.490 0.813 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1nccn1CCc1ccccc1 ZINC000636902019 492724596 /nfs/dbraw/zinc/72/45/96/492724596.db2.gz HDYARNXYLOHLJL-QGZVFWFLSA-N 2 1 357.458 0.992 20 0 FCADMP O=C(NCCN1CC[C@@H](O)C1)NCc1nccn1CCc1ccccc1 ZINC000636902019 492724602 /nfs/dbraw/zinc/72/46/02/492724602.db2.gz HDYARNXYLOHLJL-QGZVFWFLSA-N 2 1 357.458 0.992 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000636939823 492733087 /nfs/dbraw/zinc/73/30/87/492733087.db2.gz GRYRZYGFQCFATK-IXDOHACOSA-N 2 1 354.495 0.120 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)CC1 ZINC000625390298 492772475 /nfs/dbraw/zinc/77/24/75/492772475.db2.gz QBELLDUQVVAXGP-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)CC1 ZINC000625390298 492772479 /nfs/dbraw/zinc/77/24/79/492772479.db2.gz QBELLDUQVVAXGP-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000644517044 492780779 /nfs/dbraw/zinc/78/07/79/492780779.db2.gz YZKGDOMITYOKKG-KRWDZBQOSA-N 2 1 355.504 0.493 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000644517044 492780782 /nfs/dbraw/zinc/78/07/82/492780782.db2.gz YZKGDOMITYOKKG-KRWDZBQOSA-N 2 1 355.504 0.493 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000644589275 492788916 /nfs/dbraw/zinc/78/89/16/492788916.db2.gz MGJDLVFQYWFLJX-SJORKVTESA-N 2 1 359.474 0.822 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000644589275 492788917 /nfs/dbraw/zinc/78/89/17/492788917.db2.gz MGJDLVFQYWFLJX-SJORKVTESA-N 2 1 359.474 0.822 20 0 FCADMP CCn1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000657823195 492799548 /nfs/dbraw/zinc/79/95/48/492799548.db2.gz AWQGWVNWOOYDBL-UHFFFAOYSA-N 2 1 350.467 0.326 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000631163206 492802393 /nfs/dbraw/zinc/80/23/93/492802393.db2.gz LTOLLPGXYPYZEX-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000631163206 492802396 /nfs/dbraw/zinc/80/23/96/492802396.db2.gz LTOLLPGXYPYZEX-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000631163206 492802402 /nfs/dbraw/zinc/80/24/02/492802402.db2.gz LTOLLPGXYPYZEX-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873185 492807897 /nfs/dbraw/zinc/80/78/97/492807897.db2.gz GZSBQCXDHUHRHU-INIZCTEOSA-N 2 1 359.474 0.530 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637664663 492856229 /nfs/dbraw/zinc/85/62/29/492856229.db2.gz SLBSJAVQRTXKHR-AWEZNQCLSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637664663 492856235 /nfs/dbraw/zinc/85/62/35/492856235.db2.gz SLBSJAVQRTXKHR-AWEZNQCLSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844996 492861009 /nfs/dbraw/zinc/86/10/09/492861009.db2.gz RDGWWXGPLOARGU-KSSFIOAISA-N 2 1 354.458 0.957 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638078154 492901073 /nfs/dbraw/zinc/90/10/73/492901073.db2.gz DTQFILXCSWQEHH-QFBILLFUSA-N 2 1 360.458 0.780 20 0 FCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652347737 492913298 /nfs/dbraw/zinc/91/32/98/492913298.db2.gz KKCWOXHPBRVJJH-ZNMIVQPWSA-N 2 1 352.479 0.925 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000638135134 492913352 /nfs/dbraw/zinc/91/33/52/492913352.db2.gz QHYMZALXVONOAW-RLFYNMQTSA-N 2 1 366.531 0.920 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348463 492913558 /nfs/dbraw/zinc/91/35/58/492913558.db2.gz FGWABOUVCDHGQU-XLAORIBOSA-N 2 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348463 492913562 /nfs/dbraw/zinc/91/35/62/492913562.db2.gz FGWABOUVCDHGQU-XLAORIBOSA-N 3 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348463 492913565 /nfs/dbraw/zinc/91/35/65/492913565.db2.gz FGWABOUVCDHGQU-XLAORIBOSA-N 3 1 352.523 0.757 20 0 FCADMP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354822 492914409 /nfs/dbraw/zinc/91/44/09/492914409.db2.gz JINQJHVYYGWUSA-RHSMWYFYSA-N 2 1 362.474 0.616 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354822 492914412 /nfs/dbraw/zinc/91/44/12/492914412.db2.gz JINQJHVYYGWUSA-RHSMWYFYSA-N 2 1 362.474 0.616 20 0 FCADMP [NH3+]C1(CC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000638226412 492923701 /nfs/dbraw/zinc/92/37/01/492923701.db2.gz ILFVTSKRWLYGSL-RTBURBONSA-N 3 1 372.513 0.959 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000632112072 492932339 /nfs/dbraw/zinc/93/23/39/492932339.db2.gz MJUNZWANPNSURS-SJORKVTESA-N 2 1 358.552 0.370 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638348398 492937954 /nfs/dbraw/zinc/93/79/54/492937954.db2.gz JRPIVOMNCPBUIQ-HOTGVXAUSA-N 2 1 374.489 0.753 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349559 492939464 /nfs/dbraw/zinc/93/94/64/492939464.db2.gz QCSMXDMBRSLNPR-HOTGVXAUSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439456 492947739 /nfs/dbraw/zinc/94/77/39/492947739.db2.gz IDUAOJHSWQMBPF-CVEARBPZSA-N 2 1 360.506 0.867 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000632289790 492966736 /nfs/dbraw/zinc/96/67/36/492966736.db2.gz YDZYAEOPUALFDH-INIZCTEOSA-N 2 1 360.568 0.664 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638902165 492985857 /nfs/dbraw/zinc/98/58/57/492985857.db2.gz BVBJXRJTXLVVNW-WTTBNOFXSA-N 2 1 364.494 0.644 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638902165 492985860 /nfs/dbraw/zinc/98/58/60/492985860.db2.gz BVBJXRJTXLVVNW-WTTBNOFXSA-N 2 1 364.494 0.644 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000645925568 492987284 /nfs/dbraw/zinc/98/72/84/492987284.db2.gz ARBXBQYYLOEFRX-FQEVSTJZSA-N 2 1 373.501 0.835 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000645925926 492988228 /nfs/dbraw/zinc/98/82/28/492988228.db2.gz ZSIQKQRMRFZIRD-IBGZPJMESA-N 2 1 373.501 0.963 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646009440 492999769 /nfs/dbraw/zinc/99/97/69/492999769.db2.gz KBNMUTVHXFPYRH-PKOBYXMFSA-N 2 1 358.486 0.396 20 0 FCADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009499 492999821 /nfs/dbraw/zinc/99/98/21/492999821.db2.gz NOAQXBIUCOLYGA-ZWKOTPCHSA-N 2 1 352.523 0.807 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646009437 493000140 /nfs/dbraw/zinc/00/01/40/493000140.db2.gz KBNMUTVHXFPYRH-HKUYNNGSSA-N 2 1 358.486 0.396 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009474 493000671 /nfs/dbraw/zinc/00/06/71/493000671.db2.gz MDSDRMPXTDVPRX-FPOVZHCZSA-N 2 1 372.513 0.440 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639449787 493011279 /nfs/dbraw/zinc/01/12/79/493011279.db2.gz BVKUSPCRHUKLQJ-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736283 493012412 /nfs/dbraw/zinc/01/24/12/493012412.db2.gz CCRYQACBHARVFT-QYZOEREBSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736283 493012413 /nfs/dbraw/zinc/01/24/13/493012413.db2.gz CCRYQACBHARVFT-QYZOEREBSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652736307 493012563 /nfs/dbraw/zinc/01/25/63/493012563.db2.gz CTANOVZBGUTEEH-GHTZIAJQSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652736307 493012566 /nfs/dbraw/zinc/01/25/66/493012566.db2.gz CTANOVZBGUTEEH-GHTZIAJQSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105720 493012835 /nfs/dbraw/zinc/01/28/35/493012835.db2.gz FCSSWIXLYXLXBM-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737090 493013189 /nfs/dbraw/zinc/01/31/89/493013189.db2.gz ZAGKTDUTECUUIZ-MSOLQXFVSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737090 493013193 /nfs/dbraw/zinc/01/31/93/493013193.db2.gz ZAGKTDUTECUUIZ-MSOLQXFVSA-N 2 1 358.486 0.440 20 0 FCADMP O[C@]1(C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633912 493025665 /nfs/dbraw/zinc/02/56/65/493025665.db2.gz AYHXGWPHXVKWKY-VQTJNVASSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@]1(C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633912 493025668 /nfs/dbraw/zinc/02/56/68/493025668.db2.gz AYHXGWPHXVKWKY-VQTJNVASSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@]1(C[NH+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639633912 493025672 /nfs/dbraw/zinc/02/56/72/493025672.db2.gz AYHXGWPHXVKWKY-VQTJNVASSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@]1(C[NH+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639633912 493025675 /nfs/dbraw/zinc/02/56/75/493025675.db2.gz AYHXGWPHXVKWKY-VQTJNVASSA-N 2 1 371.485 0.742 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1=O ZINC000652883876 493032823 /nfs/dbraw/zinc/03/28/23/493032823.db2.gz XTFNRPQXDUIZNL-MOPGFXCFSA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1=O ZINC000652883876 493032827 /nfs/dbraw/zinc/03/28/27/493032827.db2.gz XTFNRPQXDUIZNL-MOPGFXCFSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850573 493055746 /nfs/dbraw/zinc/05/57/46/493055746.db2.gz VZOBPCIXJODNAY-IYWMVGAKSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850573 493055748 /nfs/dbraw/zinc/05/57/48/493055748.db2.gz VZOBPCIXJODNAY-IYWMVGAKSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850573 493055751 /nfs/dbraw/zinc/05/57/51/493055751.db2.gz VZOBPCIXJODNAY-IYWMVGAKSA-N 2 1 364.486 0.322 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000639872063 493062676 /nfs/dbraw/zinc/06/26/76/493062676.db2.gz NOOHULLMRSIANB-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000639872063 493062681 /nfs/dbraw/zinc/06/26/81/493062681.db2.gz NOOHULLMRSIANB-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C)C[C@@H]3CO)CC2)cc1 ZINC000639872063 493062686 /nfs/dbraw/zinc/06/26/86/493062686.db2.gz NOOHULLMRSIANB-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C)C[C@@H]3CO)CC2)cc1 ZINC000639872063 493062691 /nfs/dbraw/zinc/06/26/91/493062691.db2.gz NOOHULLMRSIANB-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626947981 493069216 /nfs/dbraw/zinc/06/92/16/493069216.db2.gz LKPXBSKBHSEPAA-IVSAIRAKSA-N 2 1 363.510 0.978 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653108243 493071703 /nfs/dbraw/zinc/07/17/03/493071703.db2.gz OVAZRZOXYLVCSW-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653108243 493071707 /nfs/dbraw/zinc/07/17/07/493071707.db2.gz OVAZRZOXYLVCSW-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)CCOCC[NH3+] ZINC000626980432 493073596 /nfs/dbraw/zinc/07/35/96/493073596.db2.gz FAEGYNAVLCJUMI-INIZCTEOSA-N 2 1 364.494 0.209 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000626982237 493074751 /nfs/dbraw/zinc/07/47/51/493074751.db2.gz DDVMICLYPLJNPW-FRRDWIJNSA-N 2 1 352.401 0.876 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123298 493075261 /nfs/dbraw/zinc/07/52/61/493075261.db2.gz UMJJMBMCVLDEBB-QAPCUYQASA-N 2 1 364.490 0.673 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123298 493075264 /nfs/dbraw/zinc/07/52/64/493075264.db2.gz UMJJMBMCVLDEBB-QAPCUYQASA-N 2 1 364.490 0.673 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653121764 493075395 /nfs/dbraw/zinc/07/53/95/493075395.db2.gz BFNBSRIVEAWIDC-BOLBYERCSA-N 2 1 359.470 0.628 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653121764 493075398 /nfs/dbraw/zinc/07/53/98/493075398.db2.gz BFNBSRIVEAWIDC-BOLBYERCSA-N 2 1 359.470 0.628 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000646666681 493081909 /nfs/dbraw/zinc/08/19/09/493081909.db2.gz WZJCPFDQTSSPIF-QZTJIDSGSA-N 2 1 373.501 0.607 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272004 493087913 /nfs/dbraw/zinc/08/79/13/493087913.db2.gz UXRTYPGZTNIKGU-IRXDYDNUSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259005 493120206 /nfs/dbraw/zinc/12/02/06/493120206.db2.gz KOARIVQYBNKJFM-ROUUACIJSA-N 2 1 373.501 0.261 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627263816 493124349 /nfs/dbraw/zinc/12/43/49/493124349.db2.gz JJMCLKKDFUKLCZ-CABCVRRESA-N 2 1 358.446 0.504 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627263816 493124354 /nfs/dbraw/zinc/12/43/54/493124354.db2.gz JJMCLKKDFUKLCZ-CABCVRRESA-N 2 1 358.446 0.504 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104666 493128053 /nfs/dbraw/zinc/12/80/53/493128053.db2.gz HCSJRYLXBFIQBB-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000633104666 493128057 /nfs/dbraw/zinc/12/80/57/493128057.db2.gz HCSJRYLXBFIQBB-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000633104666 493128061 /nfs/dbraw/zinc/12/80/61/493128061.db2.gz HCSJRYLXBFIQBB-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000653416659 493128239 /nfs/dbraw/zinc/12/82/39/493128239.db2.gz WANNGDSBXUCNGI-OAHLLOKOSA-N 2 1 350.467 0.773 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)N3CCc4ccccc4C3)nn2)CC1 ZINC000640762431 493128528 /nfs/dbraw/zinc/12/85/28/493128528.db2.gz VOWBXUWIQVFUOM-UHFFFAOYSA-N 2 1 368.485 0.829 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000633143472 493135921 /nfs/dbraw/zinc/13/59/21/493135921.db2.gz LYLIZYFUTJQSKG-IRXDYDNUSA-N 2 1 373.501 0.215 20 0 FCADMP C[NH2+][C@@H](C)c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640868827 493140991 /nfs/dbraw/zinc/14/09/91/493140991.db2.gz JBDAWAHWFGRDOS-HNNXBMFYSA-N 2 1 364.494 0.710 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000640955520 493153425 /nfs/dbraw/zinc/15/34/25/493153425.db2.gz JIJIHMYECDKFKJ-QZTJIDSGSA-N 2 1 367.538 0.565 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149360 493172895 /nfs/dbraw/zinc/17/28/95/493172895.db2.gz FPPBQQRRUCGSCY-SFHVURJKSA-N 2 1 371.485 0.738 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659432698 493176348 /nfs/dbraw/zinc/17/63/48/493176348.db2.gz KDIYRRYYXBSTEX-UHFFFAOYSA-N 2 1 361.490 0.953 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)COc3ccccc3F)nn2)CC1 ZINC000641193657 493178190 /nfs/dbraw/zinc/17/81/90/493178190.db2.gz RILASAOVUAPQPG-INIZCTEOSA-N 2 1 363.437 0.823 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659451499 493182367 /nfs/dbraw/zinc/18/23/67/493182367.db2.gz FMJKIKPXFDTUTD-WMLDXEAASA-N 2 1 361.490 0.791 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000659286452 493183781 /nfs/dbraw/zinc/18/37/81/493183781.db2.gz HFROHIFTDGLQKG-UHFFFAOYSA-N 2 1 371.445 0.267 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641221771 493184022 /nfs/dbraw/zinc/18/40/22/493184022.db2.gz HZWKXLPVUPVUIO-MJGOQNOKSA-N 2 1 359.474 0.994 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641221771 493184029 /nfs/dbraw/zinc/18/40/29/493184029.db2.gz HZWKXLPVUPVUIO-MJGOQNOKSA-N 2 1 359.474 0.994 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N(C)CCOCC[NH3+])c(N2CCCC2)[nH+]1 ZINC000627375635 493187183 /nfs/dbraw/zinc/18/71/83/493187183.db2.gz AYVWZLBNWQHJED-UHFFFAOYSA-N 2 1 363.462 0.040 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000672525150 493191050 /nfs/dbraw/zinc/19/10/50/493191050.db2.gz FITNYXYHVDKZAA-ZDUSSCGKSA-N 2 1 350.467 0.091 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481067 493191324 /nfs/dbraw/zinc/19/13/24/493191324.db2.gz FEAPJBMMLWSTJX-CJNGLKHVSA-N 2 1 370.457 0.961 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[C@H]1F ZINC000659481306 493191486 /nfs/dbraw/zinc/19/14/86/493191486.db2.gz XSPZZSUKWSYRBO-BRWVUGGUSA-N 2 1 350.438 0.834 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000627388254 493196052 /nfs/dbraw/zinc/19/60/52/493196052.db2.gz PKBGUROBWDSCCZ-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659583735 493216941 /nfs/dbraw/zinc/21/69/41/493216941.db2.gz QRMHORQRJLGEKB-NUJGCVRESA-N 2 1 350.438 0.637 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627001 493222870 /nfs/dbraw/zinc/22/28/70/493222870.db2.gz PLALEYDERONBPC-FDYSRKEFSA-N 2 1 357.502 0.935 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627001 493222872 /nfs/dbraw/zinc/22/28/72/493222872.db2.gz PLALEYDERONBPC-FDYSRKEFSA-N 2 1 357.502 0.935 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000672655508 493229275 /nfs/dbraw/zinc/22/92/75/493229275.db2.gz YPPZWWQEJFNWJZ-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000672655508 493229277 /nfs/dbraw/zinc/22/92/77/493229277.db2.gz YPPZWWQEJFNWJZ-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672655508 493229279 /nfs/dbraw/zinc/22/92/79/493229279.db2.gz YPPZWWQEJFNWJZ-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672655508 493229283 /nfs/dbraw/zinc/22/92/83/493229283.db2.gz YPPZWWQEJFNWJZ-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672696429 493234727 /nfs/dbraw/zinc/23/47/27/493234727.db2.gz XJRBKTALTKXCMQ-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666969832 493243323 /nfs/dbraw/zinc/24/33/23/493243323.db2.gz CKNGGRWFXHPWDI-ROUUACIJSA-N 2 1 366.506 0.746 20 0 FCADMP C[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000666976977 493244460 /nfs/dbraw/zinc/24/44/60/493244460.db2.gz UBQHXFDOJUJHAV-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977965 493244997 /nfs/dbraw/zinc/24/49/97/493244997.db2.gz NBNSMJXCOAIUDV-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CCCN(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)CC[NH+](C)C ZINC000666977965 493244998 /nfs/dbraw/zinc/24/49/98/493244998.db2.gz NBNSMJXCOAIUDV-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977964 493245357 /nfs/dbraw/zinc/24/53/57/493245357.db2.gz NBNSMJXCOAIUDV-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)CC[NH+](C)C ZINC000666977964 493245360 /nfs/dbraw/zinc/24/53/60/493245360.db2.gz NBNSMJXCOAIUDV-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCc1cn2cccc(C)c2n1)C1CC1 ZINC000672764019 493246407 /nfs/dbraw/zinc/24/64/07/493246407.db2.gz YDWIIOKVNLCTEV-UHFFFAOYSA-N 2 1 357.458 0.902 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659689126 493254360 /nfs/dbraw/zinc/25/43/60/493254360.db2.gz TVDZPONLHPVJLT-KRWDZBQOSA-N 2 1 360.502 0.863 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000659690711 493255429 /nfs/dbraw/zinc/25/54/29/493255429.db2.gz ANSNBHKRZBUZAQ-UHFFFAOYSA-N 2 1 374.485 0.523 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659695574 493257872 /nfs/dbraw/zinc/25/78/72/493257872.db2.gz AXHYNTBDSXHYHV-HOCLYGCPSA-N 2 1 364.515 0.444 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659695574 493257874 /nfs/dbraw/zinc/25/78/74/493257874.db2.gz AXHYNTBDSXHYHV-HOCLYGCPSA-N 2 1 364.515 0.444 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659699897 493260084 /nfs/dbraw/zinc/26/00/84/493260084.db2.gz XETPPUZUWXWVRQ-JKSUJKDBSA-N 2 1 361.490 0.037 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000659700174 493260892 /nfs/dbraw/zinc/26/08/92/493260892.db2.gz CRLIZGDJOILEDY-KCQAQPDRSA-N 2 1 352.504 0.971 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000659701279 493260916 /nfs/dbraw/zinc/26/09/16/493260916.db2.gz CVXWMBRVAPCTJK-HOCLYGCPSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000659701277 493261219 /nfs/dbraw/zinc/26/12/19/493261219.db2.gz CVXWMBRVAPCTJK-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704192 493263352 /nfs/dbraw/zinc/26/33/52/493263352.db2.gz HUTHKBDBLNXWNV-ROUUACIJSA-N 2 1 362.518 0.825 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@H+]1CCO ZINC000672957658 493269896 /nfs/dbraw/zinc/26/98/96/493269896.db2.gz UTIDFMUHXJDFRD-DLBZAZTESA-N 2 1 368.522 0.462 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670686 493275811 /nfs/dbraw/zinc/27/58/11/493275811.db2.gz RCRXCWVAJUMNQL-DLBZAZTESA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670686 493275812 /nfs/dbraw/zinc/27/58/12/493275812.db2.gz RCRXCWVAJUMNQL-DLBZAZTESA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670686 493275815 /nfs/dbraw/zinc/27/58/15/493275815.db2.gz RCRXCWVAJUMNQL-DLBZAZTESA-N 2 1 370.563 0.337 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659738448 493279901 /nfs/dbraw/zinc/27/99/01/493279901.db2.gz DUMYRVYEOXLAGP-VVLHAWIVSA-N 2 1 366.506 0.332 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000659750982 493286120 /nfs/dbraw/zinc/28/61/20/493286120.db2.gz DZXSLLOCFOXENM-HNNXBMFYSA-N 2 1 362.474 0.454 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000659750982 493286121 /nfs/dbraw/zinc/28/61/21/493286121.db2.gz DZXSLLOCFOXENM-HNNXBMFYSA-N 2 1 362.474 0.454 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000659943078 493305706 /nfs/dbraw/zinc/30/57/06/493305706.db2.gz QOSRTQAGYATAGG-QGZVFWFLSA-N 2 1 351.495 0.563 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000659943078 493305709 /nfs/dbraw/zinc/30/57/09/493305709.db2.gz QOSRTQAGYATAGG-QGZVFWFLSA-N 2 1 351.495 0.563 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000673275289 493309834 /nfs/dbraw/zinc/30/98/34/493309834.db2.gz DIYNOVVOFXMAJV-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673275289 493309838 /nfs/dbraw/zinc/30/98/38/493309838.db2.gz DIYNOVVOFXMAJV-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000673275233 493310006 /nfs/dbraw/zinc/31/00/06/493310006.db2.gz OAPXMWFJPZFCPF-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000668584768 493379820 /nfs/dbraw/zinc/37/98/20/493379820.db2.gz FIZHEVKULWRJSI-MSOLQXFVSA-N 2 1 362.518 0.968 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585543 493380449 /nfs/dbraw/zinc/38/04/49/493380449.db2.gz PPDZMJIJHARBRY-IXDOHACOSA-N 2 1 364.490 0.099 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000668656828 493392394 /nfs/dbraw/zinc/39/23/94/493392394.db2.gz DMWOGTAEPHALTF-UHFFFAOYSA-N 2 1 373.501 0.620 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000674321006 493408031 /nfs/dbraw/zinc/40/80/31/493408031.db2.gz OGDFXVSPFXZUML-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668777299 493409045 /nfs/dbraw/zinc/40/90/45/493409045.db2.gz USJRVBBIALVYSU-GOEBONIOSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668796006 493412632 /nfs/dbraw/zinc/41/26/32/493412632.db2.gz IWBFQPJVBVVVIU-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000668827116 493417051 /nfs/dbraw/zinc/41/70/51/493417051.db2.gz QJTLZMWKIKRVBX-RTBURBONSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000668827116 493417053 /nfs/dbraw/zinc/41/70/53/493417053.db2.gz QJTLZMWKIKRVBX-RTBURBONSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668827116 493417056 /nfs/dbraw/zinc/41/70/56/493417056.db2.gz QJTLZMWKIKRVBX-RTBURBONSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827116 493417059 /nfs/dbraw/zinc/41/70/59/493417059.db2.gz QJTLZMWKIKRVBX-RTBURBONSA-N 2 1 370.497 0.978 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000668830401 493417428 /nfs/dbraw/zinc/41/74/28/493417428.db2.gz BESXJVWCJCORHV-QGZVFWFLSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000661333526 493428607 /nfs/dbraw/zinc/42/86/07/493428607.db2.gz NGQPLEAHZRSZTP-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000668894053 493430055 /nfs/dbraw/zinc/43/00/55/493430055.db2.gz UMPWLAIDRQLVNX-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000668894053 493430056 /nfs/dbraw/zinc/43/00/56/493430056.db2.gz UMPWLAIDRQLVNX-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894053 493430058 /nfs/dbraw/zinc/43/00/58/493430058.db2.gz UMPWLAIDRQLVNX-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894053 493430059 /nfs/dbraw/zinc/43/00/59/493430059.db2.gz UMPWLAIDRQLVNX-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)CC2)c1 ZINC000661408723 493435033 /nfs/dbraw/zinc/43/50/33/493435033.db2.gz BCBLYTQDUQASND-IAGOWNOFSA-N 2 1 371.485 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)CC2)c1 ZINC000661408723 493435037 /nfs/dbraw/zinc/43/50/37/493435037.db2.gz BCBLYTQDUQASND-IAGOWNOFSA-N 2 1 371.485 0.591 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669063163 493459757 /nfs/dbraw/zinc/45/97/57/493459757.db2.gz ULQIUWJSYWRLOP-IAGOWNOFSA-N 2 1 373.505 0.382 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000669104549 493463576 /nfs/dbraw/zinc/46/35/76/493463576.db2.gz KMXANDISUXATBQ-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000669104549 493463578 /nfs/dbraw/zinc/46/35/78/493463578.db2.gz KMXANDISUXATBQ-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806861 493466549 /nfs/dbraw/zinc/46/65/49/493466549.db2.gz IGFNXIWUAXRBIO-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806861 493466553 /nfs/dbraw/zinc/46/65/53/493466553.db2.gz IGFNXIWUAXRBIO-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806861 493466556 /nfs/dbraw/zinc/46/65/56/493466556.db2.gz IGFNXIWUAXRBIO-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806861 493466558 /nfs/dbraw/zinc/46/65/58/493466558.db2.gz IGFNXIWUAXRBIO-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000685305272 493473867 /nfs/dbraw/zinc/47/38/67/493473867.db2.gz SWZBRNLYSLEHDJ-WMLDXEAASA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685337834 493478852 /nfs/dbraw/zinc/47/88/52/493478852.db2.gz JGUSIGLFMBXNSB-PMPSAXMXSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685337834 493478853 /nfs/dbraw/zinc/47/88/53/493478853.db2.gz JGUSIGLFMBXNSB-PMPSAXMXSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685337834 493478854 /nfs/dbraw/zinc/47/88/54/493478854.db2.gz JGUSIGLFMBXNSB-PMPSAXMXSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685337834 493478855 /nfs/dbraw/zinc/47/88/55/493478855.db2.gz JGUSIGLFMBXNSB-PMPSAXMXSA-N 2 1 354.495 0.012 20 0 FCADMP O=C(C[NH+]1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978655 493480067 /nfs/dbraw/zinc/48/00/67/493480067.db2.gz QCXPWNDZBWUGTK-BRSBDYLESA-N 2 1 360.502 0.341 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340467 493480749 /nfs/dbraw/zinc/48/07/49/493480749.db2.gz QRHLUVOTWBSHQU-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340467 493480752 /nfs/dbraw/zinc/48/07/52/493480752.db2.gz QRHLUVOTWBSHQU-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342982 493481123 /nfs/dbraw/zinc/48/11/23/493481123.db2.gz RHRVDXLDOPXDAL-DZKIICNBSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342982 493481126 /nfs/dbraw/zinc/48/11/26/493481126.db2.gz RHRVDXLDOPXDAL-DZKIICNBSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000685444534 493492795 /nfs/dbraw/zinc/49/27/95/493492795.db2.gz FKVFXYAFKRDLAA-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000685444534 493492797 /nfs/dbraw/zinc/49/27/97/493492797.db2.gz FKVFXYAFKRDLAA-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000685444534 493492799 /nfs/dbraw/zinc/49/27/99/493492799.db2.gz FKVFXYAFKRDLAA-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000685444534 493492802 /nfs/dbraw/zinc/49/28/02/493492802.db2.gz FKVFXYAFKRDLAA-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000669396724 493502147 /nfs/dbraw/zinc/50/21/47/493502147.db2.gz CHLFSPRJGGWURK-MAUKXSAKSA-N 2 1 362.474 0.776 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298024 493504982 /nfs/dbraw/zinc/50/49/82/493504982.db2.gz TVUFDKPNVMTXTQ-PVAVHDDUSA-N 2 1 350.507 0.810 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486421 493506383 /nfs/dbraw/zinc/50/63/83/493506383.db2.gz DPJUTPIWCJLJTO-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337672 493507489 /nfs/dbraw/zinc/50/74/89/493507489.db2.gz NAGVYSYNJRMFQK-HOTGVXAUSA-N 3 1 360.506 0.520 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337873 493508075 /nfs/dbraw/zinc/50/80/75/493508075.db2.gz NAGVYSYNJRMFQK-HZPDHXFCSA-N 3 1 360.506 0.520 20 0 FCADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462858 493517770 /nfs/dbraw/zinc/51/77/70/493517770.db2.gz OYERRJTVSVBEBT-PKOBYXMFSA-N 2 1 358.486 0.744 20 0 FCADMP Cc1c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662507405 493522069 /nfs/dbraw/zinc/52/20/69/493522069.db2.gz MQHNZPSJPMMLLC-HNNXBMFYSA-N 2 1 364.494 0.551 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000662519118 493522810 /nfs/dbraw/zinc/52/28/10/493522810.db2.gz YAOODWMKGMTDKP-SWLSCSKDSA-N 2 1 367.291 0.955 20 0 FCADMP [NH3+][C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000662519119 493522953 /nfs/dbraw/zinc/52/29/53/493522953.db2.gz YAOODWMKGMTDKP-WFASDCNBSA-N 2 1 367.291 0.955 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC1 ZINC000662521944 493523727 /nfs/dbraw/zinc/52/37/27/493523727.db2.gz ORQCPVIIBVMYBP-AWEZNQCLSA-N 2 1 350.467 0.304 20 0 FCADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000676221995 493531291 /nfs/dbraw/zinc/53/12/91/493531291.db2.gz LCLWGSCLDGGEBJ-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662695306 493532671 /nfs/dbraw/zinc/53/26/71/493532671.db2.gz ZBGIBMKAQLREAF-HNNXBMFYSA-N 2 1 350.429 0.918 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709234 493533731 /nfs/dbraw/zinc/53/37/31/493533731.db2.gz XWCJWORWLWCHKI-UAGQMJEPSA-N 2 1 360.458 0.686 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676246722 493534770 /nfs/dbraw/zinc/53/47/70/493534770.db2.gz WHQYREBHNXOTDJ-GOEBONIOSA-N 2 1 356.511 0.894 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246722 493534772 /nfs/dbraw/zinc/53/47/72/493534772.db2.gz WHQYREBHNXOTDJ-GOEBONIOSA-N 2 1 356.511 0.894 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c2cccs2)CC1 ZINC000662754713 493538412 /nfs/dbraw/zinc/53/84/12/493538412.db2.gz UNCADELPOGFBLT-ZNMIVQPWSA-N 2 1 352.504 0.517 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000662754711 493538457 /nfs/dbraw/zinc/53/84/57/493538457.db2.gz UNCADELPOGFBLT-RRFJBIMHSA-N 2 1 352.504 0.517 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758774 493539764 /nfs/dbraw/zinc/53/97/64/493539764.db2.gz STNOOUOERUUURG-ZFWWWQNUSA-N 2 1 350.429 0.918 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000662775325 493541162 /nfs/dbraw/zinc/54/11/62/493541162.db2.gz XLRWRPGKQCXONA-DOTOQJQBSA-N 2 1 355.446 0.774 20 0 FCADMP CC[C@H]([NH2+]C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000662787455 493541959 /nfs/dbraw/zinc/54/19/59/493541959.db2.gz AEGYWQWDXLJKNN-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676308443 493544826 /nfs/dbraw/zinc/54/48/26/493544826.db2.gz WWZLRDWGVCXNQX-GVDBMIGSSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676308443 493544827 /nfs/dbraw/zinc/54/48/27/493544827.db2.gz WWZLRDWGVCXNQX-GVDBMIGSSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676308443 493544829 /nfs/dbraw/zinc/54/48/29/493544829.db2.gz WWZLRDWGVCXNQX-GVDBMIGSSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308443 493544830 /nfs/dbraw/zinc/54/48/30/493544830.db2.gz WWZLRDWGVCXNQX-GVDBMIGSSA-N 2 1 353.511 0.127 20 0 FCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662817259 493544933 /nfs/dbraw/zinc/54/49/33/493544933.db2.gz UFTLFIDNWQMGDH-CRAIPNDOSA-N 2 1 361.490 0.947 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394352 493549136 /nfs/dbraw/zinc/54/91/36/493549136.db2.gz ZTBZDBPUOZPBSJ-PZJWPPBQSA-N 2 1 373.497 0.993 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000662895547 493550172 /nfs/dbraw/zinc/55/01/72/493550172.db2.gz FREMEJILNQCLEC-IXDOHACOSA-N 2 1 366.506 0.286 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662913836 493552824 /nfs/dbraw/zinc/55/28/24/493552824.db2.gz SPOCUBYMLDEKDD-FVQBIDKESA-N 2 1 360.462 0.186 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000662947996 493559382 /nfs/dbraw/zinc/55/93/82/493559382.db2.gz DVPZSCFAKXZUNA-ROUUACIJSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662954627 493560329 /nfs/dbraw/zinc/56/03/29/493560329.db2.gz XOCMORIGBBVTOU-CEXWTWQISA-N 2 1 370.497 0.440 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662954225 493560609 /nfs/dbraw/zinc/56/06/09/493560609.db2.gz SXMVTPAQIGVTBY-YTQUADARSA-N 2 1 372.513 0.958 20 0 FCADMP CS(=O)(=O)C1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH2+]CC1 ZINC000663004825 493565827 /nfs/dbraw/zinc/56/58/27/493565827.db2.gz RXNFIOSOKPXJRW-HNNXBMFYSA-N 2 1 357.520 0.391 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671178 493587203 /nfs/dbraw/zinc/58/72/03/493587203.db2.gz OUMCBFCIFNFUFJ-DLBZAZTESA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670671178 493587209 /nfs/dbraw/zinc/58/72/09/493587209.db2.gz OUMCBFCIFNFUFJ-DLBZAZTESA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670671178 493587213 /nfs/dbraw/zinc/58/72/13/493587213.db2.gz OUMCBFCIFNFUFJ-DLBZAZTESA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671907 493587609 /nfs/dbraw/zinc/58/76/09/493587609.db2.gz CLUQUCBQOJHAFB-DOTOQJQBSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670895278 493609679 /nfs/dbraw/zinc/60/96/79/493609679.db2.gz YLISWCBWWJSHMA-YOEHRIQHSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670895278 493609681 /nfs/dbraw/zinc/60/96/81/493609681.db2.gz YLISWCBWWJSHMA-YOEHRIQHSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000677794362 493616361 /nfs/dbraw/zinc/61/63/61/493616361.db2.gz NYWKQEKHGAVPBW-RTBURBONSA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000677794362 493616363 /nfs/dbraw/zinc/61/63/63/493616363.db2.gz NYWKQEKHGAVPBW-RTBURBONSA-N 2 1 360.502 0.233 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000670984989 493620404 /nfs/dbraw/zinc/62/04/04/493620404.db2.gz KPUBEXGMXPDMAT-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670990279 493621135 /nfs/dbraw/zinc/62/11/35/493621135.db2.gz PJQUUWFNIPIGKJ-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670990279 493621139 /nfs/dbraw/zinc/62/11/39/493621139.db2.gz PJQUUWFNIPIGKJ-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670990279 493621141 /nfs/dbraw/zinc/62/11/41/493621141.db2.gz PJQUUWFNIPIGKJ-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670990279 493621144 /nfs/dbraw/zinc/62/11/44/493621144.db2.gz PJQUUWFNIPIGKJ-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677912634 493623537 /nfs/dbraw/zinc/62/35/37/493623537.db2.gz UHOAQYNFUINNGT-AWEZNQCLSA-N 2 1 370.475 0.168 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033114 493624993 /nfs/dbraw/zinc/62/49/93/493624993.db2.gz FXIBHZARIAZZSF-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671033967 493625193 /nfs/dbraw/zinc/62/51/93/493625193.db2.gz ARHUQLQGZIAOMM-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671033967 493625195 /nfs/dbraw/zinc/62/51/95/493625195.db2.gz ARHUQLQGZIAOMM-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671033967 493625197 /nfs/dbraw/zinc/62/51/97/493625197.db2.gz ARHUQLQGZIAOMM-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671033967 493625199 /nfs/dbraw/zinc/62/51/99/493625199.db2.gz ARHUQLQGZIAOMM-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671033969 493625316 /nfs/dbraw/zinc/62/53/16/493625316.db2.gz ARHUQLQGZIAOMM-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671033969 493625319 /nfs/dbraw/zinc/62/53/19/493625319.db2.gz ARHUQLQGZIAOMM-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671033969 493625321 /nfs/dbraw/zinc/62/53/21/493625321.db2.gz ARHUQLQGZIAOMM-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671033969 493625324 /nfs/dbraw/zinc/62/53/24/493625324.db2.gz ARHUQLQGZIAOMM-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677941435 493625913 /nfs/dbraw/zinc/62/59/13/493625913.db2.gz FWHPNWIIMYNAIO-GBESFXJTSA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677941435 493625915 /nfs/dbraw/zinc/62/59/15/493625915.db2.gz FWHPNWIIMYNAIO-GBESFXJTSA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677941435 493625916 /nfs/dbraw/zinc/62/59/16/493625916.db2.gz FWHPNWIIMYNAIO-GBESFXJTSA-N 2 1 358.486 0.128 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000671090773 493631624 /nfs/dbraw/zinc/63/16/24/493631624.db2.gz MKJXEMXOYLLEKH-SFHVURJKSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)NC1CC[NH+](CCO)CC1 ZINC000664066724 493634069 /nfs/dbraw/zinc/63/40/69/493634069.db2.gz PTPAFJSIWXLRQI-IAGOWNOFSA-N 2 1 366.506 0.386 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000671103347 493634078 /nfs/dbraw/zinc/63/40/78/493634078.db2.gz FUNXSLFYZZBUFD-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104280 493635032 /nfs/dbraw/zinc/63/50/32/493635032.db2.gz NABNNMGGTYPSLD-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000671181822 493647644 /nfs/dbraw/zinc/64/76/44/493647644.db2.gz QPUPVFFVJLQMBU-IRXDYDNUSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000671181822 493647645 /nfs/dbraw/zinc/64/76/45/493647645.db2.gz QPUPVFFVJLQMBU-IRXDYDNUSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000671181821 493647672 /nfs/dbraw/zinc/64/76/72/493647672.db2.gz QPUPVFFVJLQMBU-IAGOWNOFSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000671181821 493647673 /nfs/dbraw/zinc/64/76/73/493647673.db2.gz QPUPVFFVJLQMBU-IAGOWNOFSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000671181823 493647851 /nfs/dbraw/zinc/64/78/51/493647851.db2.gz QPUPVFFVJLQMBU-SJORKVTESA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000671181823 493647854 /nfs/dbraw/zinc/64/78/54/493647854.db2.gz QPUPVFFVJLQMBU-SJORKVTESA-N 2 1 371.485 0.782 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671365612 493660903 /nfs/dbraw/zinc/66/09/03/493660903.db2.gz IVUDAKMYWYURDF-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509249 493685339 /nfs/dbraw/zinc/68/53/39/493685339.db2.gz BHOKZCVPBCQBLT-SWLSCSKDSA-N 2 1 354.414 0.805 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509249 493685341 /nfs/dbraw/zinc/68/53/41/493685341.db2.gz BHOKZCVPBCQBLT-SWLSCSKDSA-N 2 1 354.414 0.805 20 0 FCADMP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679635957 493689838 /nfs/dbraw/zinc/68/98/38/493689838.db2.gz JGAYRYPIRNAZGH-CQSZACIVSA-N 2 1 358.446 0.675 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000665460168 493716093 /nfs/dbraw/zinc/71/60/93/493716093.db2.gz BFEAHSJILRTJOF-INIZCTEOSA-N 2 1 368.522 0.585 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000671960858 493718313 /nfs/dbraw/zinc/71/83/13/493718313.db2.gz IVFUYBSSYCRYRJ-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000671960857 493718608 /nfs/dbraw/zinc/71/86/08/493718608.db2.gz IVFUYBSSYCRYRJ-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680518467 493721574 /nfs/dbraw/zinc/72/15/74/493721574.db2.gz KWKJMUWSUNQNSL-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000672008444 493723511 /nfs/dbraw/zinc/72/35/11/493723511.db2.gz SCPLMYJPHSUDAJ-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672012937 493724703 /nfs/dbraw/zinc/72/47/03/493724703.db2.gz DRXHXGXXXWBVBC-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672012937 493724705 /nfs/dbraw/zinc/72/47/05/493724705.db2.gz DRXHXGXXXWBVBC-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000672012962 493724837 /nfs/dbraw/zinc/72/48/37/493724837.db2.gz DXLPKMWOQUWYIK-XIRDDKMYSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310091 493754325 /nfs/dbraw/zinc/75/43/25/493754325.db2.gz GKBJMKITNJELDD-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310091 493754326 /nfs/dbraw/zinc/75/43/26/493754326.db2.gz GKBJMKITNJELDD-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310091 493754327 /nfs/dbraw/zinc/75/43/27/493754327.db2.gz GKBJMKITNJELDD-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672312173 493755067 /nfs/dbraw/zinc/75/50/67/493755067.db2.gz XUOIBUZXBGAHGG-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672312173 493755070 /nfs/dbraw/zinc/75/50/70/493755070.db2.gz XUOIBUZXBGAHGG-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672312173 493755073 /nfs/dbraw/zinc/75/50/73/493755073.db2.gz XUOIBUZXBGAHGG-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125463 493759201 /nfs/dbraw/zinc/75/92/01/493759201.db2.gz GWAFBUYONGVNJY-UZLBHIALSA-N 2 1 372.469 0.195 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188742422 533920424 /nfs/dbraw/zinc/92/04/24/533920424.db2.gz SUVQSDFLOPTYSV-INIZCTEOSA-N 2 1 362.522 0.505 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188742422 533920436 /nfs/dbraw/zinc/92/04/36/533920436.db2.gz SUVQSDFLOPTYSV-INIZCTEOSA-N 2 1 362.522 0.505 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000410494960 527804665 /nfs/dbraw/zinc/80/46/65/527804665.db2.gz UBDDVXZZYHRWTJ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845230 527805079 /nfs/dbraw/zinc/80/50/79/527805079.db2.gz QMQVWNMIESDFTK-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410845230 527805086 /nfs/dbraw/zinc/80/50/86/527805086.db2.gz QMQVWNMIESDFTK-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410845230 527805092 /nfs/dbraw/zinc/80/50/92/527805092.db2.gz QMQVWNMIESDFTK-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937388 527823767 /nfs/dbraw/zinc/82/37/67/527823767.db2.gz KLYYFMAWMWEHIJ-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937388 527823772 /nfs/dbraw/zinc/82/37/72/527823772.db2.gz KLYYFMAWMWEHIJ-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937388 527823778 /nfs/dbraw/zinc/82/37/78/527823778.db2.gz KLYYFMAWMWEHIJ-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937388 527823783 /nfs/dbraw/zinc/82/37/83/527823783.db2.gz KLYYFMAWMWEHIJ-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410978443 527827985 /nfs/dbraw/zinc/82/79/85/527827985.db2.gz LFUPSXPSZZXJEL-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410978443 527827990 /nfs/dbraw/zinc/82/79/90/527827990.db2.gz LFUPSXPSZZXJEL-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410978443 527827994 /nfs/dbraw/zinc/82/79/94/527827994.db2.gz LFUPSXPSZZXJEL-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410978446 527828666 /nfs/dbraw/zinc/82/86/66/527828666.db2.gz LFUPSXPSZZXJEL-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410978446 527828673 /nfs/dbraw/zinc/82/86/73/527828673.db2.gz LFUPSXPSZZXJEL-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410978446 527828679 /nfs/dbraw/zinc/82/86/79/527828679.db2.gz LFUPSXPSZZXJEL-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000410700617 527965222 /nfs/dbraw/zinc/96/52/22/527965222.db2.gz KMBKOQGHKKCMHD-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000410700617 527965229 /nfs/dbraw/zinc/96/52/29/527965229.db2.gz KMBKOQGHKKCMHD-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000178693283 527983857 /nfs/dbraw/zinc/98/38/57/527983857.db2.gz FCOGVNHAZQTFQR-QGZVFWFLSA-N 2 1 367.538 0.818 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000178693283 527983863 /nfs/dbraw/zinc/98/38/63/527983863.db2.gz FCOGVNHAZQTFQR-QGZVFWFLSA-N 2 1 367.538 0.818 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000410845491 528147510 /nfs/dbraw/zinc/14/75/10/528147510.db2.gz QYLAUWVXYBDVGP-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000410839569 528147777 /nfs/dbraw/zinc/14/77/77/528147777.db2.gz CNMNRQFSZHYXKR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410940127 528282359 /nfs/dbraw/zinc/28/23/59/528282359.db2.gz ZFZZPQMIBZBFRO-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410940127 528282363 /nfs/dbraw/zinc/28/23/63/528282363.db2.gz ZFZZPQMIBZBFRO-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967827 528978385 /nfs/dbraw/zinc/97/83/85/528978385.db2.gz IQOMTQPMVQTWGG-FQEVSTJZSA-N 2 1 358.486 0.716 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019376 529057808 /nfs/dbraw/zinc/05/78/08/529057808.db2.gz FINBTXVSTMNDCU-JKSUJKDBSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019376 529057811 /nfs/dbraw/zinc/05/78/11/529057811.db2.gz FINBTXVSTMNDCU-JKSUJKDBSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019376 529057816 /nfs/dbraw/zinc/05/78/16/529057816.db2.gz FINBTXVSTMNDCU-JKSUJKDBSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000411019376 529057817 /nfs/dbraw/zinc/05/78/17/529057817.db2.gz FINBTXVSTMNDCU-JKSUJKDBSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419393696 535083614 /nfs/dbraw/zinc/08/36/14/535083614.db2.gz NQIAZRYZULGKLN-UHFFFAOYSA-N 2 1 358.486 0.808 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000414711304 535089523 /nfs/dbraw/zinc/08/95/23/535089523.db2.gz HNRCJNGJCOFMHJ-OAHLLOKOSA-N 2 1 359.474 0.636 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419906431 535159052 /nfs/dbraw/zinc/15/90/52/535159052.db2.gz CCNFWIYTLVWAQW-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000419762057 535189692 /nfs/dbraw/zinc/18/96/92/535189692.db2.gz REOSSSQRLKAONV-KRWDZBQOSA-N 2 1 364.465 0.974 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419282717 535219105 /nfs/dbraw/zinc/21/91/05/535219105.db2.gz IOSHZBXLEJKFIM-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000423527646 535425423 /nfs/dbraw/zinc/42/54/23/535425423.db2.gz MZLIDTKLHOEAEC-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000423527646 535425431 /nfs/dbraw/zinc/42/54/31/535425431.db2.gz MZLIDTKLHOEAEC-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532825 535425664 /nfs/dbraw/zinc/42/56/64/535425664.db2.gz VYCVXVRVXLYQHV-CRAIPNDOSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@H+]1CCOC ZINC000423532825 535425666 /nfs/dbraw/zinc/42/56/66/535425666.db2.gz VYCVXVRVXLYQHV-CRAIPNDOSA-N 2 1 354.495 0.143 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419591561 535502334 /nfs/dbraw/zinc/50/23/34/535502334.db2.gz RILYHERJUGVPTR-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419837647 535709619 /nfs/dbraw/zinc/70/96/19/535709619.db2.gz WXBLKEPRVUNTOM-IAGOWNOFSA-N 2 1 369.554 0.208 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000453942231 535906664 /nfs/dbraw/zinc/90/66/64/535906664.db2.gz VWSNBCXTJDOPGT-WMLDXEAASA-N 2 1 360.458 0.728 20 0 FCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000419227985 535944098 /nfs/dbraw/zinc/94/40/98/535944098.db2.gz LOBWMLKTTAMUEI-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419407879 536100711 /nfs/dbraw/zinc/10/07/11/536100711.db2.gz LKNDJJHKDVEVJU-GOSISDBHSA-N 2 1 358.486 0.889 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000419409263 536349488 /nfs/dbraw/zinc/34/94/88/536349488.db2.gz MVHUJFXSFNJCRQ-MRXNPFEDSA-N 2 1 354.495 0.252 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419400136 536369252 /nfs/dbraw/zinc/36/92/52/536369252.db2.gz LHVHMLIVEZLFAI-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000415305820 536417558 /nfs/dbraw/zinc/41/75/58/536417558.db2.gz VODYENKYMPDBFX-YOEHRIQHSA-N 2 1 360.458 0.839 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419769852 536481627 /nfs/dbraw/zinc/48/16/27/536481627.db2.gz WGOPUQOLCBRWGH-ROUUACIJSA-N 2 1 374.485 0.199 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419894814 536776305 /nfs/dbraw/zinc/77/63/05/536776305.db2.gz RIKYGUZMAWIIRA-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000593729666 546746670 /nfs/dbraw/zinc/74/66/70/546746670.db2.gz HWDWPCUISVZQCN-WOPDTQHZSA-N 2 1 366.384 0.735 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152398339 546917092 /nfs/dbraw/zinc/91/70/92/546917092.db2.gz FACIFANYASOTCA-RDJZCZTQSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152398339 546917096 /nfs/dbraw/zinc/91/70/96/546917096.db2.gz FACIFANYASOTCA-RDJZCZTQSA-N 2 1 356.511 0.848 20 0 FCADMP CC[C@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@@H+]1CCOC ZINC000433405212 546921922 /nfs/dbraw/zinc/92/19/22/546921922.db2.gz DFWFLSFVTJBBJL-LSDHHAIUSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@H+]1CCOC ZINC000433405212 546921927 /nfs/dbraw/zinc/92/19/27/546921927.db2.gz DFWFLSFVTJBBJL-LSDHHAIUSA-N 2 1 350.467 0.385 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549940993 547075396 /nfs/dbraw/zinc/07/53/96/547075396.db2.gz RFRLFXVNHYAUCX-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000549966118 547075895 /nfs/dbraw/zinc/07/58/95/547075895.db2.gz YJFAZQUYSAIYOB-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330383 547082460 /nfs/dbraw/zinc/08/24/60/547082460.db2.gz AXOMSMAAIQAZCT-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000550375126 547084115 /nfs/dbraw/zinc/08/41/15/547084115.db2.gz CCRIVIBKWHYCFO-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550902974 547113674 /nfs/dbraw/zinc/11/36/74/547113674.db2.gz XDJUWZOAJPBUQV-CABCVRRESA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000550958351 547117648 /nfs/dbraw/zinc/11/76/48/547117648.db2.gz SKBWJTACQNQJLH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000550958351 547117655 /nfs/dbraw/zinc/11/76/55/547117655.db2.gz SKBWJTACQNQJLH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000550958351 547117658 /nfs/dbraw/zinc/11/76/58/547117658.db2.gz SKBWJTACQNQJLH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551213177 547134112 /nfs/dbraw/zinc/13/41/12/547134112.db2.gz IYERLSGOPCJCOM-VKJFTORMSA-N 2 1 370.563 0.777 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000552506870 547214119 /nfs/dbraw/zinc/21/41/19/547214119.db2.gz PYWMAWIQWPLKQP-UHFFFAOYSA-N 2 1 356.536 0.532 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000654378583 547322899 /nfs/dbraw/zinc/32/28/99/547322899.db2.gz BSJCZKCDAHEPQY-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP Cc1onc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1C ZINC000550684331 547379409 /nfs/dbraw/zinc/37/94/09/547379409.db2.gz SLWUSSORRFLNJE-UHFFFAOYSA-N 2 1 351.451 0.714 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000488704248 547386123 /nfs/dbraw/zinc/38/61/23/547386123.db2.gz MEZHTJAPJQNWTR-DODZYUBVSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000488704248 547386126 /nfs/dbraw/zinc/38/61/26/547386126.db2.gz MEZHTJAPJQNWTR-DODZYUBVSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000488704249 547386186 /nfs/dbraw/zinc/38/61/86/547386186.db2.gz MEZHTJAPJQNWTR-FAJBIJEISA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000488704249 547386190 /nfs/dbraw/zinc/38/61/90/547386190.db2.gz MEZHTJAPJQNWTR-FAJBIJEISA-N 2 1 355.523 0.642 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882872 598530060 /nfs/dbraw/zinc/53/00/60/598530060.db2.gz USAOZUIWUSNSAN-UONOGXRCSA-N 2 1 359.482 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000951095797 674448961 /nfs/dbraw/zinc/44/89/61/674448961.db2.gz UWVUZYXJLNOOGB-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000954413270 674497118 /nfs/dbraw/zinc/49/71/18/674497118.db2.gz XDHCPGNKCAUHOI-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC000954413270 674497119 /nfs/dbraw/zinc/49/71/19/674497119.db2.gz XDHCPGNKCAUHOI-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC000954413270 674497121 /nfs/dbraw/zinc/49/71/21/674497121.db2.gz XDHCPGNKCAUHOI-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000955342542 674511179 /nfs/dbraw/zinc/51/11/79/674511179.db2.gz YUIQVCBTKLAYJY-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000955342542 674511183 /nfs/dbraw/zinc/51/11/83/674511183.db2.gz YUIQVCBTKLAYJY-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000955342542 674511188 /nfs/dbraw/zinc/51/11/88/674511188.db2.gz YUIQVCBTKLAYJY-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000956386705 674522516 /nfs/dbraw/zinc/52/25/16/674522516.db2.gz QYMBFRKMAWRVCV-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000956386705 674522519 /nfs/dbraw/zinc/52/25/19/674522519.db2.gz QYMBFRKMAWRVCV-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821267768 606266066 /nfs/dbraw/zinc/26/60/66/606266066.db2.gz QSZRNSACVWHSRI-AWEZNQCLSA-N 2 1 360.466 0.683 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000957591630 674546596 /nfs/dbraw/zinc/54/65/96/674546596.db2.gz LZXWDOFYEHCUKN-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000958166635 674560116 /nfs/dbraw/zinc/56/01/16/674560116.db2.gz VTPILQJCDPBAGO-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990760836 665930097 /nfs/dbraw/zinc/93/00/97/665930097.db2.gz HJCSLMPUZWKXLA-PNBKFKSVSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990760836 665930100 /nfs/dbraw/zinc/93/01/00/665930100.db2.gz HJCSLMPUZWKXLA-PNBKFKSVSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760836 665930102 /nfs/dbraw/zinc/93/01/02/665930102.db2.gz HJCSLMPUZWKXLA-PNBKFKSVSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760836 665930103 /nfs/dbraw/zinc/93/01/03/665930103.db2.gz HJCSLMPUZWKXLA-PNBKFKSVSA-N 2 1 357.520 0.484 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000969705700 663190108 /nfs/dbraw/zinc/19/01/08/663190108.db2.gz ARECVYLGYMRNQL-VNQPRFMTSA-N 2 1 351.495 0.178 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725715752 663351654 /nfs/dbraw/zinc/35/16/54/663351654.db2.gz YRXMWOIXDYJFSA-ROUUACIJSA-N 2 1 352.523 0.726 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891479829 663408745 /nfs/dbraw/zinc/40/87/45/663408745.db2.gz BHFWPWFPNBMPOY-KFWWJZLASA-N 2 1 351.451 0.047 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000891582119 663416682 /nfs/dbraw/zinc/41/66/82/663416682.db2.gz CNTJDEGSLJOVLO-HZPDHXFCSA-N 2 1 354.495 0.413 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000891930687 663451414 /nfs/dbraw/zinc/45/14/14/663451414.db2.gz YQXPRWUKHWBPKA-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000891930687 663451416 /nfs/dbraw/zinc/45/14/16/663451416.db2.gz YQXPRWUKHWBPKA-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000891930687 663451418 /nfs/dbraw/zinc/45/14/18/663451418.db2.gz YQXPRWUKHWBPKA-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891953075 663454503 /nfs/dbraw/zinc/45/45/03/663454503.db2.gz MUTHECHGHLMWNM-QAPCUYQASA-N 2 1 352.479 0.452 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891977219 663460511 /nfs/dbraw/zinc/46/05/11/663460511.db2.gz ZFGXZDOLRUQBGQ-QGZVFWFLSA-N 2 1 353.511 0.082 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000947507571 663519286 /nfs/dbraw/zinc/51/92/86/663519286.db2.gz PXMMFXCAZDYSNP-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000947507571 663519287 /nfs/dbraw/zinc/51/92/87/663519287.db2.gz PXMMFXCAZDYSNP-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000947507571 663519291 /nfs/dbraw/zinc/51/92/91/663519291.db2.gz PXMMFXCAZDYSNP-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295729 663523680 /nfs/dbraw/zinc/52/36/80/663523680.db2.gz SEVODTOZUPMFJM-IKGGRYGDSA-N 2 1 353.511 0.223 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001023372530 663620043 /nfs/dbraw/zinc/62/00/43/663620043.db2.gz UFISJTCJQTYQIV-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001023372530 663620044 /nfs/dbraw/zinc/62/00/44/663620044.db2.gz UFISJTCJQTYQIV-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001023372530 663620045 /nfs/dbraw/zinc/62/00/45/663620045.db2.gz UFISJTCJQTYQIV-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442058 663902698 /nfs/dbraw/zinc/90/26/98/663902698.db2.gz QUKJUHOCHDXRCB-BZUAXINKSA-N 2 1 351.495 0.452 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000892481646 663961376 /nfs/dbraw/zinc/96/13/76/663961376.db2.gz RATAVSOBWQEEFR-LSDHHAIUSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649377 664058801 /nfs/dbraw/zinc/05/88/01/664058801.db2.gz LDAMPWZVZLYQNL-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649377 664058804 /nfs/dbraw/zinc/05/88/04/664058804.db2.gz LDAMPWZVZLYQNL-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649377 664058807 /nfs/dbraw/zinc/05/88/07/664058807.db2.gz LDAMPWZVZLYQNL-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000892651517 664059080 /nfs/dbraw/zinc/05/90/80/664059080.db2.gz ZJJYHDAZCMNMEK-ARFHVFGLSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892651517 664059083 /nfs/dbraw/zinc/05/90/83/664059083.db2.gz ZJJYHDAZCMNMEK-ARFHVFGLSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892651517 664059085 /nfs/dbraw/zinc/05/90/85/664059085.db2.gz ZJJYHDAZCMNMEK-ARFHVFGLSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000973331350 664098387 /nfs/dbraw/zinc/09/83/87/664098387.db2.gz RFYCTIRNYYSHNN-KLHDSHLOSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000973331350 664098391 /nfs/dbraw/zinc/09/83/91/664098391.db2.gz RFYCTIRNYYSHNN-KLHDSHLOSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000973331350 664098393 /nfs/dbraw/zinc/09/83/93/664098393.db2.gz RFYCTIRNYYSHNN-KLHDSHLOSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)[N@@H+]1CCO ZINC000892758515 664137537 /nfs/dbraw/zinc/13/75/37/664137537.db2.gz JWYHVJPVMFMNRY-XHSDSOJGSA-N 2 1 354.495 0.242 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025793925 664191966 /nfs/dbraw/zinc/19/19/66/664191966.db2.gz BKCNXKIGMISCBD-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025793925 664191970 /nfs/dbraw/zinc/19/19/70/664191970.db2.gz BKCNXKIGMISCBD-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025793925 664191972 /nfs/dbraw/zinc/19/19/72/664191972.db2.gz BKCNXKIGMISCBD-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCCCO4)C[C@H]32)O1 ZINC001025818491 664195519 /nfs/dbraw/zinc/19/55/19/664195519.db2.gz XMTWWYWSUUTZDJ-HTPGKPQGSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@H]32)O1 ZINC001025818491 664195520 /nfs/dbraw/zinc/19/55/20/664195520.db2.gz XMTWWYWSUUTZDJ-HTPGKPQGSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@H]32)O1 ZINC001025818491 664195523 /nfs/dbraw/zinc/19/55/23/664195523.db2.gz XMTWWYWSUUTZDJ-HTPGKPQGSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@H]32)O1 ZINC001025818491 664195525 /nfs/dbraw/zinc/19/55/25/664195525.db2.gz XMTWWYWSUUTZDJ-HTPGKPQGSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCCCO4)C[C@H]32)O1 ZINC001025818491 664195528 /nfs/dbraw/zinc/19/55/28/664195528.db2.gz XMTWWYWSUUTZDJ-HTPGKPQGSA-N 2 1 351.491 0.711 20 0 FCADMP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893054025 664202007 /nfs/dbraw/zinc/20/20/07/664202007.db2.gz UDINOCFLGIBANA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000893054025 664202009 /nfs/dbraw/zinc/20/20/09/664202009.db2.gz UDINOCFLGIBANA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000893054025 664202012 /nfs/dbraw/zinc/20/20/12/664202012.db2.gz UDINOCFLGIBANA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000893237178 664218172 /nfs/dbraw/zinc/21/81/72/664218172.db2.gz FORCHFFBSGGWRW-JENIJYKNSA-N 2 1 351.539 0.853 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000893237178 664218173 /nfs/dbraw/zinc/21/81/73/664218173.db2.gz FORCHFFBSGGWRW-JENIJYKNSA-N 2 1 351.539 0.853 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000893237178 664218176 /nfs/dbraw/zinc/21/81/76/664218176.db2.gz FORCHFFBSGGWRW-JENIJYKNSA-N 2 1 351.539 0.853 20 0 FCADMP CC(C)N(C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299592641 664264697 /nfs/dbraw/zinc/26/46/97/664264697.db2.gz TYUQDIYHXOOEJA-UHFFFAOYSA-N 2 1 355.508 0.768 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001026916192 664276980 /nfs/dbraw/zinc/27/69/80/664276980.db2.gz CWBCJZKUEVYSKG-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001026916192 664276983 /nfs/dbraw/zinc/27/69/83/664276983.db2.gz CWBCJZKUEVYSKG-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000978892372 664449372 /nfs/dbraw/zinc/44/93/72/664449372.db2.gz YGQWZFDPCHTJPC-NQNKBUKLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001027893034 664472497 /nfs/dbraw/zinc/47/24/97/664472497.db2.gz KRYYACZRSNQSBS-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001027893034 664472499 /nfs/dbraw/zinc/47/24/99/664472499.db2.gz KRYYACZRSNQSBS-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001027893034 664472501 /nfs/dbraw/zinc/47/25/01/664472501.db2.gz KRYYACZRSNQSBS-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001027893034 664472503 /nfs/dbraw/zinc/47/25/03/664472503.db2.gz KRYYACZRSNQSBS-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981379230 664824532 /nfs/dbraw/zinc/82/45/32/664824532.db2.gz LMKMGHQVDNRVJT-BHYGNILZSA-N 2 1 350.507 0.681 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981649686 664834457 /nfs/dbraw/zinc/83/44/57/664834457.db2.gz LGIYICOYBRNGGS-USXIJHARSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205252 664837680 /nfs/dbraw/zinc/83/76/80/664837680.db2.gz CRBJCXVNLLRYMB-WBVHZDCISA-N 2 1 352.504 0.637 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001028551389 664901897 /nfs/dbraw/zinc/90/18/97/664901897.db2.gz OAAOBJJGEDFZCQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001028551389 664901898 /nfs/dbraw/zinc/90/18/98/664901898.db2.gz OAAOBJJGEDFZCQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001028551389 664901900 /nfs/dbraw/zinc/90/19/00/664901900.db2.gz OAAOBJJGEDFZCQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001028629644 664931184 /nfs/dbraw/zinc/93/11/84/664931184.db2.gz PQHDUPVOTDGLSS-IIAWOOMASA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001028629644 664931186 /nfs/dbraw/zinc/93/11/86/664931186.db2.gz PQHDUPVOTDGLSS-IIAWOOMASA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccns3)C2)O1 ZINC001028629644 664931188 /nfs/dbraw/zinc/93/11/88/664931188.db2.gz PQHDUPVOTDGLSS-IIAWOOMASA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccns3)C2)O1 ZINC001028629644 664931190 /nfs/dbraw/zinc/93/11/90/664931190.db2.gz PQHDUPVOTDGLSS-IIAWOOMASA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000982943500 664936119 /nfs/dbraw/zinc/93/61/19/664936119.db2.gz WGIMHCIWTKSDKS-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP Cn1nc(Br)nc1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894255226 664938133 /nfs/dbraw/zinc/93/81/33/664938133.db2.gz VPKBZMQKGSSQIY-NSHDSACASA-N 2 1 357.300 0.836 20 0 FCADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924964802 664947213 /nfs/dbraw/zinc/94/72/13/664947213.db2.gz DWWANFROYSYUKJ-MRXNPFEDSA-N 2 1 360.568 0.664 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@H]2CCCO2)O1 ZINC001029357889 665019094 /nfs/dbraw/zinc/01/90/94/665019094.db2.gz ZUBDKEXKILXQFD-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@H]2CCCO2)O1 ZINC001029357889 665019097 /nfs/dbraw/zinc/01/90/97/665019097.db2.gz ZUBDKEXKILXQFD-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H]2CCCO2)O1 ZINC001029357889 665019098 /nfs/dbraw/zinc/01/90/98/665019098.db2.gz ZUBDKEXKILXQFD-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CCCO2)O1 ZINC001029357889 665019101 /nfs/dbraw/zinc/01/91/01/665019101.db2.gz ZUBDKEXKILXQFD-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP Cc1oncc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767690 665171792 /nfs/dbraw/zinc/17/17/92/665171792.db2.gz XXHUOWBXECXVNS-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1oncc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767690 665171793 /nfs/dbraw/zinc/17/17/93/665171793.db2.gz XXHUOWBXECXVNS-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1oncc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767690 665171794 /nfs/dbraw/zinc/17/17/94/665171794.db2.gz XXHUOWBXECXVNS-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1oncc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767690 665171795 /nfs/dbraw/zinc/17/17/95/665171795.db2.gz XXHUOWBXECXVNS-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988084561 665274482 /nfs/dbraw/zinc/27/44/82/665274482.db2.gz FEFWJZWGCQZQOV-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000988783689 665314651 /nfs/dbraw/zinc/31/46/51/665314651.db2.gz WTNZMDYNNXXAII-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905090371 666003998 /nfs/dbraw/zinc/00/39/98/666003998.db2.gz SGFSOQZXAMCULN-DLBZAZTESA-N 2 1 355.523 0.965 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905090371 666003999 /nfs/dbraw/zinc/00/39/99/666003999.db2.gz SGFSOQZXAMCULN-DLBZAZTESA-N 2 1 355.523 0.965 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000906917609 666081132 /nfs/dbraw/zinc/08/11/32/666081132.db2.gz JCPKGWGCFHCJGQ-HZPDHXFCSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000906917609 666081136 /nfs/dbraw/zinc/08/11/36/666081136.db2.gz JCPKGWGCFHCJGQ-HZPDHXFCSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000907041432 666088593 /nfs/dbraw/zinc/08/85/93/666088593.db2.gz AALROIVZTPKBGO-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000907041432 666088594 /nfs/dbraw/zinc/08/85/94/666088594.db2.gz AALROIVZTPKBGO-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000907041432 666088595 /nfs/dbraw/zinc/08/85/95/666088595.db2.gz AALROIVZTPKBGO-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000907046408 666092413 /nfs/dbraw/zinc/09/24/13/666092413.db2.gz DWDQUGAJUGCTMN-MSOLQXFVSA-N 2 1 352.523 0.364 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000907046411 666092431 /nfs/dbraw/zinc/09/24/31/666092431.db2.gz DWDQUGAJUGCTMN-ZWKOTPCHSA-N 2 1 352.523 0.364 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000907202861 666106460 /nfs/dbraw/zinc/10/64/60/666106460.db2.gz KZTYIFLKBJXXNR-KRWDZBQOSA-N 2 1 353.507 0.794 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CC(C)C)C1 ZINC000910893840 666289436 /nfs/dbraw/zinc/28/94/36/666289436.db2.gz SMEIXIIYRMDBLV-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000910893840 666289438 /nfs/dbraw/zinc/28/94/38/666289438.db2.gz SMEIXIIYRMDBLV-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000910893840 666289441 /nfs/dbraw/zinc/28/94/41/666289441.db2.gz SMEIXIIYRMDBLV-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000910893840 666289442 /nfs/dbraw/zinc/28/94/42/666289442.db2.gz SMEIXIIYRMDBLV-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000910893840 666289445 /nfs/dbraw/zinc/28/94/45/666289445.db2.gz SMEIXIIYRMDBLV-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000910993631 666302993 /nfs/dbraw/zinc/30/29/93/666302993.db2.gz SZFWZCXLABIVSL-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000911317497 666337713 /nfs/dbraw/zinc/33/77/13/666337713.db2.gz WCPXBYKUNGZFGO-QBPKDAKJSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000911317497 666337716 /nfs/dbraw/zinc/33/77/16/666337716.db2.gz WCPXBYKUNGZFGO-QBPKDAKJSA-N 2 1 350.507 0.679 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000911533172 666363135 /nfs/dbraw/zinc/36/31/35/666363135.db2.gz IYNGPMIYUYRQRG-HDICACEKSA-N 2 1 354.539 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938782213 666484532 /nfs/dbraw/zinc/48/45/32/666484532.db2.gz ROLIULOEUXNULJ-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000991429502 666504493 /nfs/dbraw/zinc/50/44/93/666504493.db2.gz NXIZKWQZGNMCSN-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000991429502 666504496 /nfs/dbraw/zinc/50/44/96/666504496.db2.gz NXIZKWQZGNMCSN-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000991429502 666504499 /nfs/dbraw/zinc/50/44/99/666504499.db2.gz NXIZKWQZGNMCSN-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)CC[N@H+]1C ZINC000991492678 666539606 /nfs/dbraw/zinc/53/96/06/666539606.db2.gz OKPTUEBRXOFDSU-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC[NH+]1C ZINC000991492678 666539607 /nfs/dbraw/zinc/53/96/07/666539607.db2.gz OKPTUEBRXOFDSU-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000171938624 666598149 /nfs/dbraw/zinc/59/81/49/666598149.db2.gz VITOACRGAMUVHT-QGZVFWFLSA-N 2 1 367.515 0.915 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063149039 666604077 /nfs/dbraw/zinc/60/40/77/666604077.db2.gz IXQUMRJAWINHOB-UHFFFAOYSA-N 2 1 369.579 0.831 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063149039 666604082 /nfs/dbraw/zinc/60/40/82/666604082.db2.gz IXQUMRJAWINHOB-UHFFFAOYSA-N 2 1 369.579 0.831 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC[NH+]1C ZINC000992404967 666636607 /nfs/dbraw/zinc/63/66/07/666636607.db2.gz FICSTCSFEFVNFL-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC[NH+]1C ZINC000992404967 666636609 /nfs/dbraw/zinc/63/66/09/666636609.db2.gz FICSTCSFEFVNFL-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC[NH+]1C ZINC000992404967 666636612 /nfs/dbraw/zinc/63/66/12/666636612.db2.gz FICSTCSFEFVNFL-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993444434 666905562 /nfs/dbraw/zinc/90/55/62/666905562.db2.gz HAOROMGEFCCVTO-YIOZNXECSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000996602489 666943198 /nfs/dbraw/zinc/94/31/98/666943198.db2.gz JBADVMOUWGBHOK-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000734666584 666978174 /nfs/dbraw/zinc/97/81/74/666978174.db2.gz DYZLPFAYODHPGF-KRWDZBQOSA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000734666584 666978175 /nfs/dbraw/zinc/97/81/75/666978175.db2.gz DYZLPFAYODHPGF-KRWDZBQOSA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000734666584 666978179 /nfs/dbraw/zinc/97/81/79/666978179.db2.gz DYZLPFAYODHPGF-KRWDZBQOSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994218690 666979371 /nfs/dbraw/zinc/97/93/71/666979371.db2.gz MGZZZDDTHWNVOK-HYVNUMGLSA-N 2 1 350.507 0.491 20 0 FCADMP COC(=O)CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000918734139 667134043 /nfs/dbraw/zinc/13/40/43/667134043.db2.gz VTEQHLQKZXXZAK-UHFFFAOYSA-N 2 1 352.435 0.235 20 0 FCADMP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998985103 667225098 /nfs/dbraw/zinc/22/50/98/667225098.db2.gz VZCYPUBOBLYTAE-GALLPEHLSA-N 2 1 368.503 0.950 20 0 FCADMP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998985103 667225104 /nfs/dbraw/zinc/22/51/04/667225104.db2.gz VZCYPUBOBLYTAE-GALLPEHLSA-N 2 1 368.503 0.950 20 0 FCADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2)[NH+](C)C ZINC000999150259 667228878 /nfs/dbraw/zinc/22/88/78/667228878.db2.gz LZTMZPKDBLIVEZ-DRRXZNNHSA-N 2 1 350.507 0.915 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC[C@@H]3CCOC3)CC2)O1 ZINC001000837016 667487195 /nfs/dbraw/zinc/48/71/95/667487195.db2.gz KHOHYJWSVJRNQT-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC[C@@H]3CCOC3)CC2)O1 ZINC001000837016 667487200 /nfs/dbraw/zinc/48/72/00/667487200.db2.gz KHOHYJWSVJRNQT-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CC[C@@H]3CCOC3)CC2)O1 ZINC001000837016 667487203 /nfs/dbraw/zinc/48/72/03/667487203.db2.gz KHOHYJWSVJRNQT-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CC[C@@H]3CCOC3)CC2)O1 ZINC001000837016 667487206 /nfs/dbraw/zinc/48/72/06/667487206.db2.gz KHOHYJWSVJRNQT-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](C3CCOCC3)C1)C2=O ZINC000754781420 667610313 /nfs/dbraw/zinc/61/03/13/667610313.db2.gz DFCMSMHSUYLKKA-HNNXBMFYSA-N 2 1 350.463 0.709 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001033100216 667673464 /nfs/dbraw/zinc/67/34/64/667673464.db2.gz VONQCRHCHXVCLJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001033100272 667673933 /nfs/dbraw/zinc/67/39/33/667673933.db2.gz XIBJHKPSXAECGI-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033100272 667673934 /nfs/dbraw/zinc/67/39/34/667673934.db2.gz XIBJHKPSXAECGI-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033100272 667673936 /nfs/dbraw/zinc/67/39/36/667673936.db2.gz XIBJHKPSXAECGI-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001033839527 667739526 /nfs/dbraw/zinc/73/95/26/667739526.db2.gz TWGLTOHWRZUDHQ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001033839527 667739530 /nfs/dbraw/zinc/73/95/30/667739530.db2.gz TWGLTOHWRZUDHQ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001033839527 667739531 /nfs/dbraw/zinc/73/95/31/667739531.db2.gz TWGLTOHWRZUDHQ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001033839527 667739536 /nfs/dbraw/zinc/73/95/36/667739536.db2.gz TWGLTOHWRZUDHQ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000758270662 667750463 /nfs/dbraw/zinc/75/04/63/667750463.db2.gz LRENRVMBTIXCNS-MRXNPFEDSA-N 2 1 359.536 0.830 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923322606 667825180 /nfs/dbraw/zinc/82/51/80/667825180.db2.gz YBTCAXQTWVKVIO-SJORKVTESA-N 2 1 350.507 0.384 20 0 FCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)C1 ZINC000923322911 667825413 /nfs/dbraw/zinc/82/54/13/667825413.db2.gz BZIYXJZOFDAQFR-JQFCIGGWSA-N 2 1 350.438 0.024 20 0 FCADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000923493827 667841168 /nfs/dbraw/zinc/84/11/68/667841168.db2.gz WDNNCQWQNYEKHZ-AWEZNQCLSA-N 2 1 368.503 0.855 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923535197 667846397 /nfs/dbraw/zinc/84/63/97/667846397.db2.gz ZJJANZDRPQUKAK-MJGOQNOKSA-N 2 1 352.523 0.677 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)C3C[NH2+]C3)CC2)c1 ZINC000923588827 667852965 /nfs/dbraw/zinc/85/29/65/667852965.db2.gz LKUMDUIXZRJSLF-UHFFFAOYSA-N 2 1 352.504 0.398 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCCC3(CCOCC3)C1)C2=O ZINC000742158752 668027164 /nfs/dbraw/zinc/02/71/64/668027164.db2.gz IEPFQRSJKARKEZ-UHFFFAOYSA-N 2 1 350.463 0.853 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCCC3(CCOCC3)C1)C2=O ZINC000742158752 668027166 /nfs/dbraw/zinc/02/71/66/668027166.db2.gz IEPFQRSJKARKEZ-UHFFFAOYSA-N 2 1 350.463 0.853 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@@H]3CCOC3)CC1)C2=O ZINC000784009723 668639750 /nfs/dbraw/zinc/63/97/50/668639750.db2.gz WSYLQBSIXHSHSU-OAHLLOKOSA-N 2 1 350.463 0.709 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793694845 668941335 /nfs/dbraw/zinc/94/13/35/668941335.db2.gz BUHWFWAUYLEEML-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000819214686 668988257 /nfs/dbraw/zinc/98/82/57/668988257.db2.gz FFHGLYGZHRTPDR-MSOLQXFVSA-N 2 1 350.459 0.991 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000819214686 668988260 /nfs/dbraw/zinc/98/82/60/668988260.db2.gz FFHGLYGZHRTPDR-MSOLQXFVSA-N 2 1 350.459 0.991 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000825647252 669463892 /nfs/dbraw/zinc/46/38/92/669463892.db2.gz IRMYGKBXMAKGKU-IAGOWNOFSA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+](C)Cc1cnc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000809591048 669633480 /nfs/dbraw/zinc/63/34/80/669633480.db2.gz UZDWFYJXFWMQDD-HNNXBMFYSA-N 2 1 351.520 0.943 20 0 FCADMP C[NH+](C)Cc1cnc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000809591048 669633482 /nfs/dbraw/zinc/63/34/82/669633482.db2.gz UZDWFYJXFWMQDD-HNNXBMFYSA-N 2 1 351.520 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000965937326 675112197 /nfs/dbraw/zinc/11/21/97/675112197.db2.gz CXQJJHHZWNLXTQ-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000965937326 675112199 /nfs/dbraw/zinc/11/21/99/675112199.db2.gz CXQJJHHZWNLXTQ-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000965937326 675112202 /nfs/dbraw/zinc/11/22/02/675112202.db2.gz CXQJJHHZWNLXTQ-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842050205 670630293 /nfs/dbraw/zinc/63/02/93/670630293.db2.gz PZRLSIYRVVUSRY-RCJHGTSTSA-N 2 1 350.507 0.824 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)NC(=O)N[C@H]1C ZINC000842472390 670692453 /nfs/dbraw/zinc/69/24/53/670692453.db2.gz GGQVKPGSRZVCQS-GXTWGEPZSA-N 2 1 350.463 0.969 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)C2=O ZINC000842619128 670702955 /nfs/dbraw/zinc/70/29/55/670702955.db2.gz UHMGARYZSMYIOT-LSDHHAIUSA-N 2 1 350.463 0.851 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C[C@@H]1C ZINC000843251553 670785764 /nfs/dbraw/zinc/78/57/64/670785764.db2.gz SMMCUBZTWKJXBQ-IYBDPMFKSA-N 2 1 356.511 0.353 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C[C@@H]1C ZINC000843251553 670785771 /nfs/dbraw/zinc/78/57/71/670785771.db2.gz SMMCUBZTWKJXBQ-IYBDPMFKSA-N 2 1 356.511 0.353 20 0 FCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)CC(C)(C)C[NH3+] ZINC000843355275 670804742 /nfs/dbraw/zinc/80/47/42/670804742.db2.gz PFQPETROVWNYRY-UHFFFAOYSA-N 2 1 353.467 0.579 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)S(C)(=O)=O ZINC000843363618 670807341 /nfs/dbraw/zinc/80/73/41/670807341.db2.gz CTRRWKHGOQQNHL-UHFFFAOYSA-N 2 1 374.551 0.238 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364945 670807923 /nfs/dbraw/zinc/80/79/23/670807923.db2.gz WZKPHDGTSUUJIV-CHWSQXEVSA-N 2 1 351.451 0.332 20 0 FCADMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)CNC(=O)OC(C)(C)C ZINC000849107590 671318116 /nfs/dbraw/zinc/31/81/16/671318116.db2.gz BZHRAAYUUDBEAC-AWEZNQCLSA-N 2 1 357.499 0.983 20 0 FCADMP O=C1O[C@@]2(CN1CN1CC[NH+]([C@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000853554702 671550026 /nfs/dbraw/zinc/55/00/26/671550026.db2.gz ZJYWNSFJLWBBME-FUHWJXTLSA-N 2 1 350.463 0.267 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510267 675935761 /nfs/dbraw/zinc/93/57/61/675935761.db2.gz FRKJLCFFCNCBDE-GASCZTMLSA-N 2 1 351.495 0.511 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)CC[N@@H+]1C ZINC001053265726 675993279 /nfs/dbraw/zinc/99/32/79/675993279.db2.gz DVGFCDRHACLCJA-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)CC[N@H+]1C ZINC001053265726 675993281 /nfs/dbraw/zinc/99/32/81/675993281.db2.gz DVGFCDRHACLCJA-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCn1cccn1 ZINC000866688029 672288156 /nfs/dbraw/zinc/28/81/56/672288156.db2.gz LWEHSPAWASZOKM-INIZCTEOSA-N 2 1 357.524 0.561 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCn1cccn1 ZINC000866688029 672288157 /nfs/dbraw/zinc/28/81/57/672288157.db2.gz LWEHSPAWASZOKM-INIZCTEOSA-N 2 1 357.524 0.561 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055347835 676017077 /nfs/dbraw/zinc/01/70/77/676017077.db2.gz FQRWANZWNGTLDN-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]3C2)CC[N@H+]1C ZINC001055357440 676017562 /nfs/dbraw/zinc/01/75/62/676017562.db2.gz JPEXOOAASXRPGJ-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(F)F)CC2)CC[N@H+]1C ZINC001055583495 676025386 /nfs/dbraw/zinc/02/53/86/676025386.db2.gz QAPSDFYUMABGNM-UONOGXRCSA-N 2 1 360.449 0.679 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297742 672611204 /nfs/dbraw/zinc/61/12/04/672611204.db2.gz UXCYCESWJGWCCL-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420538 676071379 /nfs/dbraw/zinc/07/13/79/676071379.db2.gz KSDOQOLXVSYQME-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001421440 676071620 /nfs/dbraw/zinc/07/16/20/676071620.db2.gz YARQBSPAWKHXGU-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001050328186 676081735 /nfs/dbraw/zinc/08/17/35/676081735.db2.gz IANSWYIRXLGASI-SMLCLMEVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001050328185 676081792 /nfs/dbraw/zinc/08/17/92/676081792.db2.gz IANSWYIRXLGASI-QUSNUVHPSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624411 676107039 /nfs/dbraw/zinc/10/70/39/676107039.db2.gz PKRXHNGFKDPIDT-MGPQQGTHSA-N 2 1 353.492 0.504 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880210913 673181462 /nfs/dbraw/zinc/18/14/62/673181462.db2.gz XLRXTDBUSBDVLI-FUHWJXTLSA-N 2 1 352.523 0.772 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883439367 673375569 /nfs/dbraw/zinc/37/55/69/673375569.db2.gz PTZDIZUQNXLVOL-YHUYYLMFSA-N 2 1 351.447 0.582 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900750 673402219 /nfs/dbraw/zinc/40/22/19/673402219.db2.gz QBCCCZZTRXNYKY-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883900750 673402221 /nfs/dbraw/zinc/40/22/21/673402221.db2.gz QBCCCZZTRXNYKY-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883900750 673402222 /nfs/dbraw/zinc/40/22/22/673402222.db2.gz QBCCCZZTRXNYKY-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560394 673462288 /nfs/dbraw/zinc/46/22/88/673462288.db2.gz WULPOIOTZSLCFG-HUUCEWRRSA-N 2 1 352.479 0.086 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884617170 673466208 /nfs/dbraw/zinc/46/62/08/673466208.db2.gz IYIVTHNCNALDPK-XQQFMLRXSA-N 2 1 364.412 0.573 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)[N@@H+](C)C1CC1 ZINC000884617917 673466221 /nfs/dbraw/zinc/46/62/21/673466221.db2.gz URKDKHYVMBNGOO-SNVBAGLBSA-N 2 1 351.476 0.085 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CC[N@@H+](C)CC1 ZINC000884623513 673466962 /nfs/dbraw/zinc/46/69/62/673466962.db2.gz FWMPUSVELCETGH-WCFLWFBJSA-N 2 1 362.396 0.349 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000884623799 673466978 /nfs/dbraw/zinc/46/69/78/673466978.db2.gz OWVSJAUHLUHSBV-LIRRHRJNSA-N 2 1 350.507 0.977 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000884631691 673468181 /nfs/dbraw/zinc/46/81/81/673468181.db2.gz SHOLXHCVPSPBCL-LBPRGKRZSA-N 2 1 363.487 0.087 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884649753 673469808 /nfs/dbraw/zinc/46/98/08/673469808.db2.gz NSRLVYJXFCVSDE-TZMCWYRMSA-N 2 1 358.433 0.481 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664740 673470737 /nfs/dbraw/zinc/47/07/37/673470737.db2.gz TZQJUCIRXDMLRK-FZKCQIBNSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884838 673488689 /nfs/dbraw/zinc/48/86/89/673488689.db2.gz MCQDQENPABYLDY-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974127 673494987 /nfs/dbraw/zinc/49/49/87/673494987.db2.gz NDQKCNKHESQPJT-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000885195755 673507715 /nfs/dbraw/zinc/50/77/15/673507715.db2.gz OQVWZDVNGCYZOB-RBSFLKMASA-N 2 1 354.495 0.330 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885291527 673513050 /nfs/dbraw/zinc/51/30/50/673513050.db2.gz OVDSATPWGKQNOE-ZIAGYGMSSA-N 2 1 360.449 0.680 20 0 FCADMP CN1CC[NH+](C(C)(C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925279209 673785751 /nfs/dbraw/zinc/78/57/51/673785751.db2.gz LZVQDSDEIDATSS-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927638471 673873319 /nfs/dbraw/zinc/87/33/19/673873319.db2.gz BLMFSEFAHSDWLD-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC000927638471 673873323 /nfs/dbraw/zinc/87/33/23/673873323.db2.gz BLMFSEFAHSDWLD-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@H]1C ZINC000927638471 673873326 /nfs/dbraw/zinc/87/33/26/673873326.db2.gz BLMFSEFAHSDWLD-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccco1 ZINC000929158875 673941284 /nfs/dbraw/zinc/94/12/84/673941284.db2.gz ZHSOPOLJQLEXQU-CQSZACIVSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)c1ccco1 ZINC000929158875 673941288 /nfs/dbraw/zinc/94/12/88/673941288.db2.gz ZHSOPOLJQLEXQU-CQSZACIVSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001007375581 675288656 /nfs/dbraw/zinc/28/86/56/675288656.db2.gz FDCCPIDLZIFVDG-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001011209296 675376960 /nfs/dbraw/zinc/37/69/60/675376960.db2.gz TYAGQPOFHLGKQE-VVLHAWIVSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC001011209296 675376962 /nfs/dbraw/zinc/37/69/62/675376962.db2.gz TYAGQPOFHLGKQE-VVLHAWIVSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC001011209296 675376964 /nfs/dbraw/zinc/37/69/64/675376964.db2.gz TYAGQPOFHLGKQE-VVLHAWIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC[N@H+]1C ZINC001011211782 675377325 /nfs/dbraw/zinc/37/73/25/675377325.db2.gz MEBPTLBALJEBTM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC[NH+]1C ZINC001011211782 675377330 /nfs/dbraw/zinc/37/73/30/675377330.db2.gz MEBPTLBALJEBTM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC[NH+]1C ZINC001011211782 675377334 /nfs/dbraw/zinc/37/73/34/675377334.db2.gz MEBPTLBALJEBTM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC[N@H+]1C ZINC001011211584 675377380 /nfs/dbraw/zinc/37/73/80/675377380.db2.gz BFYFMULXVYTWPX-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001014475030 675390694 /nfs/dbraw/zinc/39/06/94/675390694.db2.gz KHPJLJAUMLJJKM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001014475030 675390698 /nfs/dbraw/zinc/39/06/98/675390698.db2.gz KHPJLJAUMLJJKM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)CC[NH+]1C ZINC001014475030 675390703 /nfs/dbraw/zinc/39/07/03/675390703.db2.gz KHPJLJAUMLJJKM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)CC[NH+]1C ZINC001014475030 675390707 /nfs/dbraw/zinc/39/07/07/675390707.db2.gz KHPJLJAUMLJJKM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001018866073 675418062 /nfs/dbraw/zinc/41/80/62/675418062.db2.gz QKSNIIDNLRDLDR-FRRDWIJNSA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001018866073 675418064 /nfs/dbraw/zinc/41/80/64/675418064.db2.gz QKSNIIDNLRDLDR-FRRDWIJNSA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)CC[N@H+]1C ZINC001020170929 675436000 /nfs/dbraw/zinc/43/60/00/675436000.db2.gz DNGCYYFNCLPTNN-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001020173970 675436420 /nfs/dbraw/zinc/43/64/20/675436420.db2.gz NOSIZKUPDPZPBL-LUKYLMHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@H+]1C ZINC001020171874 675436438 /nfs/dbraw/zinc/43/64/38/675436438.db2.gz AOQNOPXZYGSMFN-OXGONZEZSA-N 2 1 350.507 0.963 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172168 675436624 /nfs/dbraw/zinc/43/66/24/675436624.db2.gz OYVIVJCMUDQTNN-KBUPBQIOSA-N 2 1 352.504 0.795 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020286545 675439420 /nfs/dbraw/zinc/43/94/20/675439420.db2.gz CFWULBITMBBFRS-FMKGYKFTSA-N 2 1 354.476 0.608 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020286545 675439424 /nfs/dbraw/zinc/43/94/24/675439424.db2.gz CFWULBITMBBFRS-FMKGYKFTSA-N 2 1 354.476 0.608 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001041297101 675511896 /nfs/dbraw/zinc/51/18/96/675511896.db2.gz MHOJNXBRMLBSCL-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001041297101 675511898 /nfs/dbraw/zinc/51/18/98/675511898.db2.gz MHOJNXBRMLBSCL-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041297101 675511900 /nfs/dbraw/zinc/51/19/00/675511900.db2.gz MHOJNXBRMLBSCL-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041297101 675511902 /nfs/dbraw/zinc/51/19/02/675511902.db2.gz MHOJNXBRMLBSCL-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001041300259 675512454 /nfs/dbraw/zinc/51/24/54/675512454.db2.gz GKZHARDTOIJEQR-LZLYRXPVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001041300259 675512456 /nfs/dbraw/zinc/51/24/56/675512456.db2.gz GKZHARDTOIJEQR-LZLYRXPVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041300259 675512458 /nfs/dbraw/zinc/51/24/58/675512458.db2.gz GKZHARDTOIJEQR-LZLYRXPVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041300259 675512460 /nfs/dbraw/zinc/51/24/60/675512460.db2.gz GKZHARDTOIJEQR-LZLYRXPVSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001045445136 675654074 /nfs/dbraw/zinc/65/40/74/675654074.db2.gz UTBLNNCMUBJFOQ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001045445209 675654154 /nfs/dbraw/zinc/65/41/54/675654154.db2.gz ZHYFPGKHCYZELF-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)CC[N@H+]1C ZINC001045671801 675656743 /nfs/dbraw/zinc/65/67/43/675656743.db2.gz IZUNVJOOMVZRPS-YESZJQIVSA-N 2 1 353.507 0.696 20 0 FCADMP COCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672007 675656813 /nfs/dbraw/zinc/65/68/13/675656813.db2.gz KPUVMXAEXQZYBR-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001045781252 675657916 /nfs/dbraw/zinc/65/79/16/675657916.db2.gz BRWCEAICXDNOIS-LTIDMASMSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001045781252 675657917 /nfs/dbraw/zinc/65/79/17/675657917.db2.gz BRWCEAICXDNOIS-LTIDMASMSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001045781252 675657919 /nfs/dbraw/zinc/65/79/19/675657919.db2.gz BRWCEAICXDNOIS-LTIDMASMSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001045781252 675657920 /nfs/dbraw/zinc/65/79/20/675657920.db2.gz BRWCEAICXDNOIS-LTIDMASMSA-N 2 1 371.547 0.827 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000900585542 675697026 /nfs/dbraw/zinc/69/70/26/675697026.db2.gz SVTGBXVOIZASLC-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900693493 675708096 /nfs/dbraw/zinc/70/80/96/675708096.db2.gz UNERQIBZWHCWTI-UHFFFAOYSA-N 2 1 350.511 0.543 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900693493 675708099 /nfs/dbraw/zinc/70/80/99/675708099.db2.gz UNERQIBZWHCWTI-UHFFFAOYSA-N 2 1 350.511 0.543 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000900713269 675709928 /nfs/dbraw/zinc/70/99/28/675709928.db2.gz DQWUWUAUWXSFHR-HNNXBMFYSA-N 2 1 355.479 0.489 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000900713269 675709930 /nfs/dbraw/zinc/70/99/30/675709930.db2.gz DQWUWUAUWXSFHR-HNNXBMFYSA-N 2 1 355.479 0.489 20 0 FCADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299410 675780476 /nfs/dbraw/zinc/78/04/76/675780476.db2.gz PYQFTQYFQSRBAF-IAGOWNOFSA-N 2 1 351.491 0.689 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(CO)[nH]cc(OC)c2=O)C1 ZINC000902170155 675837423 /nfs/dbraw/zinc/83/74/23/675837423.db2.gz GQZQGKCEVQWCLW-AWEZNQCLSA-N 2 1 353.463 0.809 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897484890 1192186066 /nfs/dbraw/zinc/18/60/66/1192186066.db2.gz YAIRXIFHFJAAIO-JFIYKMOQSA-N 2 1 371.485 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000969691280 1168058562 /nfs/dbraw/zinc/05/85/62/1168058562.db2.gz SYHSSDUTWRRANE-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000969691280 1168058567 /nfs/dbraw/zinc/05/85/67/1168058567.db2.gz SYHSSDUTWRRANE-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092527 1168161508 /nfs/dbraw/zinc/16/15/08/1168161508.db2.gz HCRYFTKSNMQRKY-MSOLQXFVSA-N 2 1 356.474 0.756 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192811 1168169374 /nfs/dbraw/zinc/16/93/74/1168169374.db2.gz PSKHDTCDXAADQJ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192811 1168169384 /nfs/dbraw/zinc/16/93/84/1168169384.db2.gz PSKHDTCDXAADQJ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192811 1168169389 /nfs/dbraw/zinc/16/93/89/1168169389.db2.gz PSKHDTCDXAADQJ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192811 1168169393 /nfs/dbraw/zinc/16/93/93/1168169393.db2.gz PSKHDTCDXAADQJ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cc1noc(CCC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969957842 1168235317 /nfs/dbraw/zinc/23/53/17/1168235317.db2.gz GCEMHJDVOVZBTE-DVOMOZLQSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1noc(CCC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969957842 1168235326 /nfs/dbraw/zinc/23/53/26/1168235326.db2.gz GCEMHJDVOVZBTE-DVOMOZLQSA-N 2 1 365.478 0.466 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000969956879 1168236173 /nfs/dbraw/zinc/23/61/73/1168236173.db2.gz AOAMANFOJZDPQX-ZRGWGRIASA-N 2 1 361.486 0.835 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000969956879 1168236178 /nfs/dbraw/zinc/23/61/78/1168236178.db2.gz AOAMANFOJZDPQX-ZRGWGRIASA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1CC[NH2+]CCOCCO ZINC001104291914 1169659028 /nfs/dbraw/zinc/65/90/28/1169659028.db2.gz ZQMSBAKLHSAXHE-BRWVUGGUSA-N 2 1 364.490 0.844 20 0 FCADMP CC(C)c1nccn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083210660 1169881131 /nfs/dbraw/zinc/88/11/31/1169881131.db2.gz MUVYWOJRQPKSFO-IXDOHACOSA-N 2 1 362.474 0.955 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083210660 1169881133 /nfs/dbraw/zinc/88/11/33/1169881133.db2.gz MUVYWOJRQPKSFO-IXDOHACOSA-N 2 1 362.474 0.955 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104310922 1169884024 /nfs/dbraw/zinc/88/40/24/1169884024.db2.gz KFHIRSHEFSRNPM-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021803766 1170079731 /nfs/dbraw/zinc/07/97/31/1170079731.db2.gz GKXKMTQAUJBDHY-XLNGHYISSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021803766 1170079738 /nfs/dbraw/zinc/07/97/38/1170079738.db2.gz GKXKMTQAUJBDHY-XLNGHYISSA-N 2 1 359.474 0.591 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375084 1170158763 /nfs/dbraw/zinc/15/87/63/1170158763.db2.gz NBCKSQCANRCDNC-QCODTGAPSA-N 2 1 363.462 0.190 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104355298 1170369717 /nfs/dbraw/zinc/36/97/17/1170369717.db2.gz WAHCYTUKQJZEKA-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CC(=O)NCCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691079233 1170730975 /nfs/dbraw/zinc/73/09/75/1170730975.db2.gz JOGMONGVOVGCRB-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691079233 1170730984 /nfs/dbraw/zinc/73/09/84/1170730984.db2.gz JOGMONGVOVGCRB-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691079233 1170730988 /nfs/dbraw/zinc/73/09/88/1170730988.db2.gz JOGMONGVOVGCRB-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001691095796 1170801223 /nfs/dbraw/zinc/80/12/23/1170801223.db2.gz KYCNLSXKYCIYOI-MXASKKJJSA-N 2 1 350.507 0.727 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001691095513 1170801409 /nfs/dbraw/zinc/80/14/09/1170801409.db2.gz APACQESRSAVOKU-HDEZJCGLSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1cc(C)n(CC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781950 1170823657 /nfs/dbraw/zinc/82/36/57/1170823657.db2.gz PCIWGBNDMUHFIR-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781950 1170823660 /nfs/dbraw/zinc/82/36/60/1170823660.db2.gz PCIWGBNDMUHFIR-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781950 1170823662 /nfs/dbraw/zinc/82/36/62/1170823662.db2.gz PCIWGBNDMUHFIR-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781950 1170823667 /nfs/dbraw/zinc/82/36/67/1170823667.db2.gz PCIWGBNDMUHFIR-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)c3ccccc3F)C2)O1 ZINC001022275894 1170824036 /nfs/dbraw/zinc/82/40/36/1170824036.db2.gz UTARKSPBZCUMLX-WTEFKJMHSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)c3ccccc3F)C2)O1 ZINC001022275894 1170824037 /nfs/dbraw/zinc/82/40/37/1170824037.db2.gz UTARKSPBZCUMLX-WTEFKJMHSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001691143708 1170840288 /nfs/dbraw/zinc/84/02/88/1170840288.db2.gz WOGPBUNXOLJMKC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001691143708 1170840289 /nfs/dbraw/zinc/84/02/89/1170840289.db2.gz WOGPBUNXOLJMKC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001691143708 1170840291 /nfs/dbraw/zinc/84/02/91/1170840291.db2.gz WOGPBUNXOLJMKC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1)C(=O)N(C)C ZINC001691235569 1170876291 /nfs/dbraw/zinc/87/62/91/1170876291.db2.gz CTJVMDHJBDSPGQ-MELADBBJSA-N 2 1 365.478 0.701 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001087181467 1171037107 /nfs/dbraw/zinc/03/71/07/1171037107.db2.gz TYFFRBDBSVZUGR-XLMAVXFVSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001087181467 1171037115 /nfs/dbraw/zinc/03/71/15/1171037115.db2.gz TYFFRBDBSVZUGR-XLMAVXFVSA-N 2 1 363.506 0.856 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001691318780 1171087162 /nfs/dbraw/zinc/08/71/62/1171087162.db2.gz OFRUNYKCJFIYTR-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001691324784 1171099533 /nfs/dbraw/zinc/09/95/33/1171099533.db2.gz VDRWPOKIERNPPC-UONOGXRCSA-N 2 1 351.499 0.706 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001691324784 1171099547 /nfs/dbraw/zinc/09/95/47/1171099547.db2.gz VDRWPOKIERNPPC-UONOGXRCSA-N 2 1 351.499 0.706 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691333455 1171125878 /nfs/dbraw/zinc/12/58/78/1171125878.db2.gz DRMFIVUXJMMPJM-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001087190619 1171337504 /nfs/dbraw/zinc/33/75/04/1171337504.db2.gz VWFWBNJLNGNLNO-VHDGCEQUSA-N 2 1 361.446 0.213 20 0 FCADMP NC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999351 1171456957 /nfs/dbraw/zinc/45/69/57/1171456957.db2.gz BLPOZFDEZBFHBM-CHWSQXEVSA-N 2 1 371.489 0.873 20 0 FCADMP NC(=O)c1cc(N[C@@H]2CC[NH+](C3CC3)C2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000891999351 1171456964 /nfs/dbraw/zinc/45/69/64/1171456964.db2.gz BLPOZFDEZBFHBM-CHWSQXEVSA-N 2 1 371.489 0.873 20 0 FCADMP CC1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000892058345 1171539795 /nfs/dbraw/zinc/53/97/95/1171539795.db2.gz XOEVKNCCWQLSKO-KRWDZBQOSA-N 2 1 367.538 0.472 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1 ZINC000988783198 1192479280 /nfs/dbraw/zinc/47/92/80/1192479280.db2.gz QGBUPEHHPUWSHM-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1 ZINC000988783198 1192479285 /nfs/dbraw/zinc/47/92/85/1192479285.db2.gz QGBUPEHHPUWSHM-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233266 1171785032 /nfs/dbraw/zinc/78/50/32/1171785032.db2.gz VVWIFRBYGSXOSB-WCXIOVBPSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233266 1171785043 /nfs/dbraw/zinc/78/50/43/1171785043.db2.gz VVWIFRBYGSXOSB-WCXIOVBPSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233260 1171785514 /nfs/dbraw/zinc/78/55/14/1171785514.db2.gz VVWIFRBYGSXOSB-NCOADZHNSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233260 1171785530 /nfs/dbraw/zinc/78/55/30/1171785530.db2.gz VVWIFRBYGSXOSB-NCOADZHNSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC001022723648 1171817603 /nfs/dbraw/zinc/81/76/03/1171817603.db2.gz BIHXBEUYQWLCEH-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)C1 ZINC001022723648 1171817604 /nfs/dbraw/zinc/81/76/04/1171817604.db2.gz BIHXBEUYQWLCEH-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)C[C@H]32)C1 ZINC000972239087 1171878276 /nfs/dbraw/zinc/87/82/76/1171878276.db2.gz YSISKFZNLJHSKN-QGPMSJSTSA-N 2 1 367.453 0.959 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC000972253525 1171887631 /nfs/dbraw/zinc/88/76/31/1171887631.db2.gz PGWPQGVYGHRRHK-JFIYKMOQSA-N 2 1 361.490 0.837 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001088619164 1192488552 /nfs/dbraw/zinc/48/85/52/1192488552.db2.gz AIMYDEMWZUYFBR-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(=O)N(C)C ZINC001088619164 1192488555 /nfs/dbraw/zinc/48/85/55/1192488555.db2.gz AIMYDEMWZUYFBR-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(=O)N(C)C ZINC001088619164 1192488559 /nfs/dbraw/zinc/48/85/59/1192488559.db2.gz AIMYDEMWZUYFBR-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(=O)N(C)C ZINC001088619164 1192488562 /nfs/dbraw/zinc/48/85/62/1192488562.db2.gz AIMYDEMWZUYFBR-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000972255709 1171891499 /nfs/dbraw/zinc/89/14/99/1171891499.db2.gz ZKLFQZOASVWUDV-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000972255709 1171891504 /nfs/dbraw/zinc/89/15/04/1171891504.db2.gz ZKLFQZOASVWUDV-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001087226131 1172076596 /nfs/dbraw/zinc/07/65/96/1172076596.db2.gz DOKUHEZMJMLGOH-AEFFLSMTSA-N 2 1 363.506 0.859 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4ccnc4C)C[C@H]32)CC[N@H+]1C ZINC000972433368 1172132435 /nfs/dbraw/zinc/13/24/35/1172132435.db2.gz CXMLQSKXWUHQEB-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)CC[N@@H+]1C ZINC000972433368 1172132451 /nfs/dbraw/zinc/13/24/51/1172132451.db2.gz CXMLQSKXWUHQEB-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)CC[N@H+]1C ZINC000972433368 1172132458 /nfs/dbraw/zinc/13/24/58/1172132458.db2.gz CXMLQSKXWUHQEB-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433772 1172143024 /nfs/dbraw/zinc/14/30/24/1172143024.db2.gz WXTGCOSWTSAZGC-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP CNC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001105471155 1192581150 /nfs/dbraw/zinc/58/11/50/1192581150.db2.gz WAFVVADECRGUHV-XZZQLLPFSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCN1CCCC1=O ZINC001088621153 1192682354 /nfs/dbraw/zinc/68/23/54/1192682354.db2.gz SHUZOWFIDOTVME-PMPSAXMXSA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCN1CCCC1=O ZINC001088621153 1192682358 /nfs/dbraw/zinc/68/23/58/1192682358.db2.gz SHUZOWFIDOTVME-PMPSAXMXSA-N 2 1 359.474 0.962 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088621771 1192695758 /nfs/dbraw/zinc/69/57/58/1192695758.db2.gz SQBUIYCMPAYJHR-IKGGRYGDSA-N 2 1 365.522 0.854 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088621771 1192695760 /nfs/dbraw/zinc/69/57/60/1192695760.db2.gz SQBUIYCMPAYJHR-IKGGRYGDSA-N 2 1 365.522 0.854 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088621771 1192695764 /nfs/dbraw/zinc/69/57/64/1192695764.db2.gz SQBUIYCMPAYJHR-IKGGRYGDSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088635704 1192741992 /nfs/dbraw/zinc/74/19/92/1192741992.db2.gz KRPFEMGRKMECQY-MIGQKNRLSA-N 2 1 355.442 0.991 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897544513 1192747275 /nfs/dbraw/zinc/74/72/75/1192747275.db2.gz ABONYHURTABFHV-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000989390981 1192827187 /nfs/dbraw/zinc/82/71/87/1192827187.db2.gz PJZVMGLPVWYLML-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000897716644 1192843551 /nfs/dbraw/zinc/84/35/51/1192843551.db2.gz HVSOETKOLNTFCG-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000898030004 1192855231 /nfs/dbraw/zinc/85/52/31/1192855231.db2.gz KRONQKPVCOIMEQ-JKSUJKDBSA-N 2 1 371.485 0.885 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000842035245 1192860937 /nfs/dbraw/zinc/86/09/37/1192860937.db2.gz JHQFNQWFLPTHJH-XJKSGUPXSA-N 2 1 370.457 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000898165350 1192861839 /nfs/dbraw/zinc/86/18/39/1192861839.db2.gz GOISQTDTKVWHOS-WNRNVDISSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1=O ZINC000898165350 1192861841 /nfs/dbraw/zinc/86/18/41/1192861841.db2.gz GOISQTDTKVWHOS-WNRNVDISSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1=O ZINC000898165350 1192861844 /nfs/dbraw/zinc/86/18/44/1192861844.db2.gz GOISQTDTKVWHOS-WNRNVDISSA-N 2 1 362.518 0.729 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554756 1192874767 /nfs/dbraw/zinc/87/47/67/1192874767.db2.gz TVERWDBQQYWOBZ-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554756 1192874771 /nfs/dbraw/zinc/87/47/71/1192874771.db2.gz TVERWDBQQYWOBZ-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554756 1192874773 /nfs/dbraw/zinc/87/47/73/1192874773.db2.gz TVERWDBQQYWOBZ-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001023375067 1179499559 /nfs/dbraw/zinc/49/95/59/1179499559.db2.gz HCZATKVHTNHGNR-QRQLOZEOSA-N 2 1 367.534 0.944 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023451583 1179759145 /nfs/dbraw/zinc/75/91/45/1179759145.db2.gz QVLQSZFAVVDYBR-UWWQBHOKSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451583 1179759162 /nfs/dbraw/zinc/75/91/62/1179759162.db2.gz QVLQSZFAVVDYBR-UWWQBHOKSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451583 1179759172 /nfs/dbraw/zinc/75/91/72/1179759172.db2.gz QVLQSZFAVVDYBR-UWWQBHOKSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451583 1179759192 /nfs/dbraw/zinc/75/91/92/1179759192.db2.gz QVLQSZFAVVDYBR-UWWQBHOKSA-N 2 1 363.506 0.776 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccnn2C)C1 ZINC001087247910 1180002612 /nfs/dbraw/zinc/00/26/12/1180002612.db2.gz GSNCQVZBHNOWER-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccnn2C)C1 ZINC001087247910 1180002624 /nfs/dbraw/zinc/00/26/24/1180002624.db2.gz GSNCQVZBHNOWER-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796326 1180327083 /nfs/dbraw/zinc/32/70/83/1180327083.db2.gz AXJCOSCSWRZSGP-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP [NH3+][C@H](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000892409749 1180577231 /nfs/dbraw/zinc/57/72/31/1180577231.db2.gz BHCIEQOPNZYYJE-QZTJIDSGSA-N 2 1 373.501 0.552 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001691483430 1180714315 /nfs/dbraw/zinc/71/43/15/1180714315.db2.gz HBWAMGUUUPDZAP-UAGQMJEPSA-N 2 1 371.489 0.665 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001691483430 1180714330 /nfs/dbraw/zinc/71/43/30/1180714330.db2.gz HBWAMGUUUPDZAP-UAGQMJEPSA-N 2 1 371.489 0.665 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037735 1180805275 /nfs/dbraw/zinc/80/52/75/1180805275.db2.gz AOCAPUREMINIGV-HLLBOEOZSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037735 1180805276 /nfs/dbraw/zinc/80/52/76/1180805276.db2.gz AOCAPUREMINIGV-HLLBOEOZSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001024039137 1180806925 /nfs/dbraw/zinc/80/69/25/1180806925.db2.gz PSQGVUHDTGXYFG-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001024039137 1180806928 /nfs/dbraw/zinc/80/69/28/1180806928.db2.gz PSQGVUHDTGXYFG-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024122200 1180851978 /nfs/dbraw/zinc/85/19/78/1180851978.db2.gz QNUWJBOJIFQSES-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001024122200 1180851980 /nfs/dbraw/zinc/85/19/80/1180851980.db2.gz QNUWJBOJIFQSES-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001024122200 1180851986 /nfs/dbraw/zinc/85/19/86/1180851986.db2.gz QNUWJBOJIFQSES-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024137277 1180865857 /nfs/dbraw/zinc/86/58/57/1180865857.db2.gz JWMVOAZCUYMKGM-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495541 1181345747 /nfs/dbraw/zinc/34/57/47/1181345747.db2.gz QVZIWPCVKBBMNR-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CCn1cc(CCN2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083275165 1181779458 /nfs/dbraw/zinc/77/94/58/1181779458.db2.gz REUDCBFOVKETQR-OKZBNKHCSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083275165 1181779463 /nfs/dbraw/zinc/77/94/63/1181779463.db2.gz REUDCBFOVKETQR-OKZBNKHCSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083275165 1181779467 /nfs/dbraw/zinc/77/94/67/1181779467.db2.gz REUDCBFOVKETQR-OKZBNKHCSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083275165 1181779470 /nfs/dbraw/zinc/77/94/70/1181779470.db2.gz REUDCBFOVKETQR-OKZBNKHCSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083275165 1181779473 /nfs/dbraw/zinc/77/94/73/1181779473.db2.gz REUDCBFOVKETQR-OKZBNKHCSA-N 2 1 361.490 0.309 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000892536630 1181782458 /nfs/dbraw/zinc/78/24/58/1181782458.db2.gz RVIWIJZKQBOKOR-ROUUACIJSA-N 2 1 362.474 0.565 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000892536630 1181782463 /nfs/dbraw/zinc/78/24/63/1181782463.db2.gz RVIWIJZKQBOKOR-ROUUACIJSA-N 2 1 362.474 0.565 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001025001302 1181845877 /nfs/dbraw/zinc/84/58/77/1181845877.db2.gz OFQXAGCNOMRBEC-HZPDHXFCSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083275485 1181850191 /nfs/dbraw/zinc/85/01/91/1181850191.db2.gz GVRNVOMDHPJOCL-ZWKOTPCHSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083275485 1181850196 /nfs/dbraw/zinc/85/01/96/1181850196.db2.gz GVRNVOMDHPJOCL-ZWKOTPCHSA-N 2 1 362.474 0.920 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CCS(=O)(=O)CC1 ZINC001480976117 1181860174 /nfs/dbraw/zinc/86/01/74/1181860174.db2.gz URJLTMKMAIXLRO-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC1CCS(=O)(=O)CC1 ZINC001480976117 1181860178 /nfs/dbraw/zinc/86/01/78/1181860178.db2.gz URJLTMKMAIXLRO-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC1CCS(=O)(=O)CC1 ZINC001480976117 1181860182 /nfs/dbraw/zinc/86/01/82/1181860182.db2.gz URJLTMKMAIXLRO-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000973271353 1182178358 /nfs/dbraw/zinc/17/83/58/1182178358.db2.gz WPVCLFSLSOLLEN-MWQQHZPXSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000973271353 1182178365 /nfs/dbraw/zinc/17/83/65/1182178365.db2.gz WPVCLFSLSOLLEN-MWQQHZPXSA-N 2 1 366.506 0.201 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000973413274 1182290490 /nfs/dbraw/zinc/29/04/90/1182290490.db2.gz CFRBLDIEFZYDSY-QBPKDAKJSA-N 2 1 366.506 0.201 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000973413274 1182290496 /nfs/dbraw/zinc/29/04/96/1182290496.db2.gz CFRBLDIEFZYDSY-QBPKDAKJSA-N 2 1 366.506 0.201 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676251 1182358702 /nfs/dbraw/zinc/35/87/02/1182358702.db2.gz BMORPZNLKHQAED-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765097 1182485421 /nfs/dbraw/zinc/48/54/21/1182485421.db2.gz AGEBLXXFBVJTDT-JKSUJKDBSA-N 2 1 368.522 0.632 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892802443 1182511646 /nfs/dbraw/zinc/51/16/46/1182511646.db2.gz MQKYJXQOFCYWBW-IBGZPJMESA-N 2 1 359.518 0.980 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)C1=O ZINC001083284061 1182516615 /nfs/dbraw/zinc/51/66/15/1182516615.db2.gz MAWCWMZQWOGJQT-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000892920153 1182579647 /nfs/dbraw/zinc/57/96/47/1182579647.db2.gz UBRSXLADIADAAU-DLBZAZTESA-N 2 1 365.522 0.807 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052492 1182869528 /nfs/dbraw/zinc/86/95/28/1182869528.db2.gz FOOXRUPGSWUHQI-RCCFBDPRSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052492 1182869529 /nfs/dbraw/zinc/86/95/29/1182869529.db2.gz FOOXRUPGSWUHQI-RCCFBDPRSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052492 1182869531 /nfs/dbraw/zinc/86/95/31/1182869531.db2.gz FOOXRUPGSWUHQI-RCCFBDPRSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000893052166 1182869835 /nfs/dbraw/zinc/86/98/35/1182869835.db2.gz CLDAVCFPZGKEIS-QGZVFWFLSA-N 2 1 365.522 0.273 20 0 FCADMP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893053050 1182870060 /nfs/dbraw/zinc/87/00/60/1182870060.db2.gz KHCIWSPSDMWWHL-KRWDZBQOSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cncn1C ZINC001104796032 1182925486 /nfs/dbraw/zinc/92/54/86/1182925486.db2.gz FNKSSHYGWNUTKU-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104909045 1182992639 /nfs/dbraw/zinc/99/26/39/1182992639.db2.gz UUQJHBRQOGEQNM-SOLBZPMBSA-N 2 1 364.534 0.929 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001104938636 1183012783 /nfs/dbraw/zinc/01/27/83/1183012783.db2.gz YYTABWVPHFSEDG-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104938664 1183013151 /nfs/dbraw/zinc/01/31/51/1183013151.db2.gz AIVDRJPHFBWVOB-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000974186348 1183039564 /nfs/dbraw/zinc/03/95/64/1183039564.db2.gz KPRSFXHDYFQBNT-LHKMKVQPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001105010742 1183068391 /nfs/dbraw/zinc/06/83/91/1183068391.db2.gz XODGWMGRLPJXQC-OAGGEKHMSA-N 2 1 364.490 0.161 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)C1 ZINC001105040864 1183089939 /nfs/dbraw/zinc/08/99/39/1183089939.db2.gz RRXISTUMVPLQCR-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)C1 ZINC001105040864 1183089944 /nfs/dbraw/zinc/08/99/44/1183089944.db2.gz RRXISTUMVPLQCR-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CCn1ncnc1C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001026514574 1183145796 /nfs/dbraw/zinc/14/57/96/1183145796.db2.gz JIXJYCXIZIENFM-PRLABOORSA-N 2 1 364.494 0.534 20 0 FCADMP CCOCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244233 1183153215 /nfs/dbraw/zinc/15/32/15/1183153215.db2.gz RLPQPCIYXDZYIQ-RHSMWYFYSA-N 2 1 364.494 0.518 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974468381 1183226101 /nfs/dbraw/zinc/22/61/01/1183226101.db2.gz MQOADZWLZAMARE-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NCCCC[NH3+])cc[nH+]1 ZINC000418506255 1183231656 /nfs/dbraw/zinc/23/16/56/1183231656.db2.gz GHTDFNYKKXVZNM-KBPBESRZSA-N 2 1 367.473 0.840 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001691766611 1183243746 /nfs/dbraw/zinc/24/37/46/1183243746.db2.gz XVPWIQHIQQKXHS-RBSFLKMASA-N 2 1 356.511 0.291 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC000974546750 1183321954 /nfs/dbraw/zinc/32/19/54/1183321954.db2.gz YNDNQSULPIITRY-JFIYKMOQSA-N 2 1 361.490 0.837 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC[N@H+]1C ZINC000974732301 1183510578 /nfs/dbraw/zinc/51/05/78/1183510578.db2.gz SHAVPBWVTXRPIT-QXDIGNSFSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC[NH+]1C ZINC000974732301 1183510579 /nfs/dbraw/zinc/51/05/79/1183510579.db2.gz SHAVPBWVTXRPIT-QXDIGNSFSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC[NH+]1C ZINC000974732301 1183510581 /nfs/dbraw/zinc/51/05/81/1183510581.db2.gz SHAVPBWVTXRPIT-QXDIGNSFSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975716510 1185630927 /nfs/dbraw/zinc/63/09/27/1185630927.db2.gz DFNSSXFCJAMNAX-IRXDYDNUSA-N 2 1 371.485 0.737 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC000975784563 1185780415 /nfs/dbraw/zinc/78/04/15/1185780415.db2.gz DMRSYEFAANROLH-SZMVWBNQSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975821909 1185819159 /nfs/dbraw/zinc/81/91/59/1185819159.db2.gz NIYYYOKVHKYMHE-BBWFWOEESA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000978867307 1186018888 /nfs/dbraw/zinc/01/88/88/1186018888.db2.gz CVFBBVTUTLBKMX-WCXIOVBPSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001481469561 1186092799 /nfs/dbraw/zinc/09/27/99/1186092799.db2.gz UQLDGZBYIVGPDP-CEXWTWQISA-N 2 1 366.550 0.829 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979609545 1186102018 /nfs/dbraw/zinc/10/20/18/1186102018.db2.gz YUQXZDYGOBMNPM-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979609545 1186102022 /nfs/dbraw/zinc/10/20/22/1186102022.db2.gz YUQXZDYGOBMNPM-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979609545 1186102024 /nfs/dbraw/zinc/10/20/24/1186102024.db2.gz YUQXZDYGOBMNPM-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979609545 1186102030 /nfs/dbraw/zinc/10/20/30/1186102030.db2.gz YUQXZDYGOBMNPM-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C ZINC001058850531 1186253559 /nfs/dbraw/zinc/25/35/59/1186253559.db2.gz UPPSMBHIMBCQSL-HZPDHXFCSA-N 2 1 370.538 0.242 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001058850531 1186253565 /nfs/dbraw/zinc/25/35/65/1186253565.db2.gz UPPSMBHIMBCQSL-HZPDHXFCSA-N 2 1 370.538 0.242 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000981379702 1186406245 /nfs/dbraw/zinc/40/62/45/1186406245.db2.gz UDXBZLWATVYLJH-ARFHVFGLSA-N 2 1 359.474 0.964 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)[C@@H]1CC)[NH+](C)C ZINC001691498800 1186635592 /nfs/dbraw/zinc/63/55/92/1186635592.db2.gz BABNIJIKSHMJTQ-ZNMIVQPWSA-N 2 1 367.494 0.238 20 0 FCADMP C[C@H](C(N)=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@]2(C)C1 ZINC000982571199 1187584186 /nfs/dbraw/zinc/58/41/86/1187584186.db2.gz ISIROSZBKHBKFX-RVJFBUOYSA-N 2 1 359.474 0.568 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629424 1187758582 /nfs/dbraw/zinc/75/85/82/1187758582.db2.gz LUWRIBJZWRUUSD-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629424 1187758585 /nfs/dbraw/zinc/75/85/85/1187758585.db2.gz LUWRIBJZWRUUSD-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629424 1187758588 /nfs/dbraw/zinc/75/85/88/1187758588.db2.gz LUWRIBJZWRUUSD-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629424 1187758590 /nfs/dbraw/zinc/75/85/90/1187758590.db2.gz LUWRIBJZWRUUSD-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000983324924 1187920533 /nfs/dbraw/zinc/92/05/33/1187920533.db2.gz HPQBNVNFAYAUQC-YYIAUSFCSA-N 2 1 368.522 0.401 20 0 FCADMP CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269991827 1187960555 /nfs/dbraw/zinc/96/05/55/1187960555.db2.gz AILCKHYGDHYBQP-GOSISDBHSA-N 2 1 361.494 0.543 20 0 FCADMP CCn1ccnc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269991827 1187960558 /nfs/dbraw/zinc/96/05/58/1187960558.db2.gz AILCKHYGDHYBQP-GOSISDBHSA-N 2 1 361.494 0.543 20 0 FCADMP CCn1ccnc1C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001269992318 1187961504 /nfs/dbraw/zinc/96/15/04/1187961504.db2.gz GTCFWQWJZIYYHO-GASCZTMLSA-N 2 1 361.494 0.399 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)[C@H]2CCCc3c[nH+]cn32)C1=O ZINC001270286180 1188080120 /nfs/dbraw/zinc/08/01/20/1188080120.db2.gz GSGJMNXCCKXPBX-APWZRJJASA-N 2 1 359.474 0.916 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550270933 1188251770 /nfs/dbraw/zinc/25/17/70/1188251770.db2.gz GBNZMECCNUNUQZ-QGZVFWFLSA-N 2 1 368.522 0.596 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550270933 1188251771 /nfs/dbraw/zinc/25/17/71/1188251771.db2.gz GBNZMECCNUNUQZ-QGZVFWFLSA-N 2 1 368.522 0.596 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC000983707259 1188277191 /nfs/dbraw/zinc/27/71/91/1188277191.db2.gz BPFQCYYKATUVNN-PGZVSCLCSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCOCCNC(C)=O ZINC001691516182 1188400781 /nfs/dbraw/zinc/40/07/81/1188400781.db2.gz XNANIMOZNLMRFK-YESZJQIVSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCOCCNC(C)=O ZINC001691516182 1188400783 /nfs/dbraw/zinc/40/07/83/1188400783.db2.gz XNANIMOZNLMRFK-YESZJQIVSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCOCCNC(C)=O ZINC001691516182 1188400789 /nfs/dbraw/zinc/40/07/89/1188400789.db2.gz XNANIMOZNLMRFK-YESZJQIVSA-N 2 1 354.495 0.060 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793563 1188403119 /nfs/dbraw/zinc/40/31/19/1188403119.db2.gz JLJCOLMGUXZVEP-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793563 1188403121 /nfs/dbraw/zinc/40/31/21/1188403121.db2.gz JLJCOLMGUXZVEP-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793563 1188403123 /nfs/dbraw/zinc/40/31/23/1188403123.db2.gz JLJCOLMGUXZVEP-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793563 1188403125 /nfs/dbraw/zinc/40/31/25/1188403125.db2.gz JLJCOLMGUXZVEP-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCn1nc(C)nc1C ZINC001087529638 1189383174 /nfs/dbraw/zinc/38/31/74/1189383174.db2.gz OCAGEGAETNKVCI-GVDBMIGSSA-N 2 1 364.494 0.195 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000550455599 1189492285 /nfs/dbraw/zinc/49/22/85/1189492285.db2.gz ARCUCOPEBGOWKT-UAGQMJEPSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000550455599 1189492290 /nfs/dbraw/zinc/49/22/90/1189492290.db2.gz ARCUCOPEBGOWKT-UAGQMJEPSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000550455599 1189492306 /nfs/dbraw/zinc/49/23/06/1189492306.db2.gz ARCUCOPEBGOWKT-UAGQMJEPSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@H+]1C ZINC001075810470 1189521704 /nfs/dbraw/zinc/52/17/04/1189521704.db2.gz GKVYBMPJPSHSNT-BZZMCLGOSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC001075810470 1189521715 /nfs/dbraw/zinc/52/17/15/1189521715.db2.gz GKVYBMPJPSHSNT-BZZMCLGOSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC001075810470 1189521733 /nfs/dbraw/zinc/52/17/33/1189521733.db2.gz GKVYBMPJPSHSNT-BZZMCLGOSA-N 2 1 358.486 0.758 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CCn1cccn1 ZINC001087700242 1189775402 /nfs/dbraw/zinc/77/54/02/1189775402.db2.gz GFJRGHWYOJVZSD-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CCn1cccn1 ZINC001087700242 1189775414 /nfs/dbraw/zinc/77/54/14/1189775414.db2.gz GFJRGHWYOJVZSD-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CCn1cccn1 ZINC001087700242 1189775423 /nfs/dbraw/zinc/77/54/23/1189775423.db2.gz GFJRGHWYOJVZSD-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CCn1cccn1 ZINC001087700242 1189775434 /nfs/dbraw/zinc/77/54/34/1189775434.db2.gz GFJRGHWYOJVZSD-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CCn1cncn1 ZINC001087700546 1189776736 /nfs/dbraw/zinc/77/67/36/1189776736.db2.gz PPGIHJPOGVBIRI-BBWFWOEESA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CCn1cncn1 ZINC001087700546 1189776754 /nfs/dbraw/zinc/77/67/54/1189776754.db2.gz PPGIHJPOGVBIRI-BBWFWOEESA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CCn1cncn1 ZINC001087700546 1189776766 /nfs/dbraw/zinc/77/67/66/1189776766.db2.gz PPGIHJPOGVBIRI-BBWFWOEESA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CCn1cncn1 ZINC001087700546 1189776777 /nfs/dbraw/zinc/77/67/77/1189776777.db2.gz PPGIHJPOGVBIRI-BBWFWOEESA-N 2 1 364.494 0.356 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001271138881 1189807423 /nfs/dbraw/zinc/80/74/23/1189807423.db2.gz HVUPIMWJZLMYNS-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984344677 1189819957 /nfs/dbraw/zinc/81/99/57/1189819957.db2.gz JVKAUTAYFKOTMU-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984344677 1189819958 /nfs/dbraw/zinc/81/99/58/1189819958.db2.gz JVKAUTAYFKOTMU-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC1(C)CC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895299611 1189827988 /nfs/dbraw/zinc/82/79/88/1189827988.db2.gz SYKWGYDVQXADIL-UHFFFAOYSA-N 2 1 368.522 0.899 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895299611 1189827989 /nfs/dbraw/zinc/82/79/89/1189827989.db2.gz SYKWGYDVQXADIL-UHFFFAOYSA-N 2 1 368.522 0.899 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000895608026 1189867908 /nfs/dbraw/zinc/86/79/08/1189867908.db2.gz WFYFOLIUWNSLHC-INIZCTEOSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000895608026 1189867910 /nfs/dbraw/zinc/86/79/10/1189867910.db2.gz WFYFOLIUWNSLHC-INIZCTEOSA-N 2 1 360.506 0.978 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908793 1189894136 /nfs/dbraw/zinc/89/41/36/1189894136.db2.gz NLFYLHMFBIOJSA-SQNIBIBYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908793 1189894138 /nfs/dbraw/zinc/89/41/38/1189894138.db2.gz NLFYLHMFBIOJSA-SQNIBIBYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908793 1189894142 /nfs/dbraw/zinc/89/41/42/1189894142.db2.gz NLFYLHMFBIOJSA-SQNIBIBYSA-N 2 1 360.506 0.769 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908573 1189894153 /nfs/dbraw/zinc/89/41/53/1189894153.db2.gz GNRBDHKNWBHWSV-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908573 1189894157 /nfs/dbraw/zinc/89/41/57/1189894157.db2.gz GNRBDHKNWBHWSV-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908573 1189894159 /nfs/dbraw/zinc/89/41/59/1189894159.db2.gz GNRBDHKNWBHWSV-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908865 1189894941 /nfs/dbraw/zinc/89/49/41/1189894941.db2.gz PQJYLMMUUWNTSP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908865 1189894946 /nfs/dbraw/zinc/89/49/46/1189894946.db2.gz PQJYLMMUUWNTSP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908865 1189894950 /nfs/dbraw/zinc/89/49/50/1189894950.db2.gz PQJYLMMUUWNTSP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908955 1189895450 /nfs/dbraw/zinc/89/54/50/1189895450.db2.gz UEHBWNPHHVMVEY-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908955 1189895451 /nfs/dbraw/zinc/89/54/51/1189895451.db2.gz UEHBWNPHHVMVEY-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908955 1189895454 /nfs/dbraw/zinc/89/54/54/1189895454.db2.gz UEHBWNPHHVMVEY-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992622 1190143842 /nfs/dbraw/zinc/14/38/42/1190143842.db2.gz CNMLXSZPINNELY-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995060 1190147788 /nfs/dbraw/zinc/14/77/88/1190147788.db2.gz QEIQVCUDYBUVMV-YCPHGPKFSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995060 1190147793 /nfs/dbraw/zinc/14/77/93/1190147793.db2.gz QEIQVCUDYBUVMV-YCPHGPKFSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995060 1190147800 /nfs/dbraw/zinc/14/78/00/1190147800.db2.gz QEIQVCUDYBUVMV-YCPHGPKFSA-N 2 1 362.474 0.056 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013943 1190215877 /nfs/dbraw/zinc/21/58/77/1190215877.db2.gz AKNGOTHRHSXDMT-IKGGRYGDSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013943 1190215884 /nfs/dbraw/zinc/21/58/84/1190215884.db2.gz AKNGOTHRHSXDMT-IKGGRYGDSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013943 1190215885 /nfs/dbraw/zinc/21/58/85/1190215885.db2.gz AKNGOTHRHSXDMT-IKGGRYGDSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)Cc1cncn1C ZINC000984945442 1190312539 /nfs/dbraw/zinc/31/25/39/1190312539.db2.gz BKBSJDHLKSOUHS-MXASKKJJSA-N 2 1 361.490 0.799 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCN1C(=O)C[NH+]1CCCC1 ZINC000984952746 1190325035 /nfs/dbraw/zinc/32/50/35/1190325035.db2.gz CUSYUWVVBUQZFJ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCN1C(=O)C[NH+]1CCCC1 ZINC000984952746 1190325041 /nfs/dbraw/zinc/32/50/41/1190325041.db2.gz CUSYUWVVBUQZFJ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001271211630 1190359688 /nfs/dbraw/zinc/35/96/88/1190359688.db2.gz OTQGJJCVCNGXFS-OAHLLOKOSA-N 2 1 361.490 0.752 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107127 1190596289 /nfs/dbraw/zinc/59/62/89/1190596289.db2.gz IIKPHLFIAGSWFJ-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107127 1190596304 /nfs/dbraw/zinc/59/63/04/1190596304.db2.gz IIKPHLFIAGSWFJ-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107127 1190596318 /nfs/dbraw/zinc/59/63/18/1190596318.db2.gz IIKPHLFIAGSWFJ-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088135991 1190642310 /nfs/dbraw/zinc/64/23/10/1190642310.db2.gz PIZNIPASLKVGEI-JZXOWHBKSA-N 2 1 363.506 0.874 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)CC[C@@H]3C2)CC1 ZINC001088150557 1190674285 /nfs/dbraw/zinc/67/42/85/1190674285.db2.gz KFLVNVTZSODSAG-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1=O ZINC001075866813 1190719152 /nfs/dbraw/zinc/71/91/52/1190719152.db2.gz TWUDFXAWGDJDMO-BHYGNILZSA-N 2 1 359.474 0.884 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1=O ZINC001075866813 1190719158 /nfs/dbraw/zinc/71/91/58/1190719158.db2.gz TWUDFXAWGDJDMO-BHYGNILZSA-N 2 1 359.474 0.884 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001088318099 1190728578 /nfs/dbraw/zinc/72/85/78/1190728578.db2.gz XNBSNYUMTDWSHX-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986140554 1190904865 /nfs/dbraw/zinc/90/48/65/1190904865.db2.gz LDDYGZBZWNOXQO-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000986140554 1190904867 /nfs/dbraw/zinc/90/48/67/1190904867.db2.gz LDDYGZBZWNOXQO-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986140554 1190904870 /nfs/dbraw/zinc/90/48/70/1190904870.db2.gz LDDYGZBZWNOXQO-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282528 1190944638 /nfs/dbraw/zinc/94/46/38/1190944638.db2.gz ICKQAWPZSDGIEA-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282528 1190944640 /nfs/dbraw/zinc/94/46/40/1190944640.db2.gz ICKQAWPZSDGIEA-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282528 1190944641 /nfs/dbraw/zinc/94/46/41/1190944641.db2.gz ICKQAWPZSDGIEA-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001029965827 1191039490 /nfs/dbraw/zinc/03/94/90/1191039490.db2.gz BPFRUVQOGXUYSN-BMFZPTHFSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001029965827 1191039494 /nfs/dbraw/zinc/03/94/94/1191039494.db2.gz BPFRUVQOGXUYSN-BMFZPTHFSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001029965827 1191039498 /nfs/dbraw/zinc/03/94/98/1191039498.db2.gz BPFRUVQOGXUYSN-BMFZPTHFSA-N 2 1 364.490 0.302 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886197 1191117238 /nfs/dbraw/zinc/11/72/38/1191117238.db2.gz HLVNTJVOQHYRRW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886197 1191117239 /nfs/dbraw/zinc/11/72/39/1191117239.db2.gz HLVNTJVOQHYRRW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886197 1191117240 /nfs/dbraw/zinc/11/72/40/1191117240.db2.gz HLVNTJVOQHYRRW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000988102196 1191149014 /nfs/dbraw/zinc/14/90/14/1191149014.db2.gz MLFLAODJQXXURT-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3cncn3C)C2)CC[N@H+]1C ZINC000988143266 1191153200 /nfs/dbraw/zinc/15/32/00/1191153200.db2.gz VTKALIZOPDJXKZ-HLLBOEOZSA-N 2 1 361.490 0.610 20 0 FCADMP COc1nccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571549 1191206942 /nfs/dbraw/zinc/20/69/42/1191206942.db2.gz DZEVQQKPZZRUPK-XYPHTWIQSA-N 2 1 359.474 0.906 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571549 1191206946 /nfs/dbraw/zinc/20/69/46/1191206946.db2.gz DZEVQQKPZZRUPK-XYPHTWIQSA-N 2 1 359.474 0.906 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000550682346 1193733105 /nfs/dbraw/zinc/73/31/05/1193733105.db2.gz YSKMPBJJWYYQIV-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465516 1193765140 /nfs/dbraw/zinc/76/51/40/1193765140.db2.gz HUYKZMIBXJERQW-OTWHNJEPSA-N 2 1 359.470 0.698 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465516 1193765142 /nfs/dbraw/zinc/76/51/42/1193765142.db2.gz HUYKZMIBXJERQW-OTWHNJEPSA-N 2 1 359.470 0.698 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)Cc2cnn(C)c2)CC[N@H+]1C ZINC001691594981 1193766134 /nfs/dbraw/zinc/76/61/34/1193766134.db2.gz BLWBEKMJMWYJGY-NVXWUHKLSA-N 2 1 351.495 0.667 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)Cc2cnn(C)c2)CC[NH+]1C ZINC001691594981 1193766135 /nfs/dbraw/zinc/76/61/35/1193766135.db2.gz BLWBEKMJMWYJGY-NVXWUHKLSA-N 2 1 351.495 0.667 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)Cc2cnn(C)c2)CC[NH+]1C ZINC001691594981 1193766138 /nfs/dbraw/zinc/76/61/38/1193766138.db2.gz BLWBEKMJMWYJGY-NVXWUHKLSA-N 2 1 351.495 0.667 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465565 1193772714 /nfs/dbraw/zinc/77/27/14/1193772714.db2.gz JAMAKMWNEXIAPZ-OTWHNJEPSA-N 2 1 359.470 0.698 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465565 1193772717 /nfs/dbraw/zinc/77/27/17/1193772717.db2.gz JAMAKMWNEXIAPZ-OTWHNJEPSA-N 2 1 359.470 0.698 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001088703036 1193803269 /nfs/dbraw/zinc/80/32/69/1193803269.db2.gz YCDDIZXQNFHZRL-OAGGEKHMSA-N 2 1 358.490 0.973 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083466159 1193818178 /nfs/dbraw/zinc/81/81/78/1193818178.db2.gz IQMSXJFZBBHOTQ-KURKYZTESA-N 2 1 361.490 0.003 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083466159 1193818179 /nfs/dbraw/zinc/81/81/79/1193818179.db2.gz IQMSXJFZBBHOTQ-KURKYZTESA-N 2 1 361.490 0.003 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105643498 1193848859 /nfs/dbraw/zinc/84/88/59/1193848859.db2.gz ZHQYLGYMVJJNBU-ZAWLATJESA-N 2 1 364.490 0.540 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218558369 1224172961 /nfs/dbraw/zinc/17/29/61/1224172961.db2.gz ZDJOXUNMGCWUCK-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469907 1193864711 /nfs/dbraw/zinc/86/47/11/1193864711.db2.gz PPBHZSMWVOSHRM-YRXWBPOGSA-N 2 1 367.534 0.941 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972920 1193889446 /nfs/dbraw/zinc/88/94/46/1193889446.db2.gz PDRRZORIUDWLAA-JKIFEVAISA-N 2 1 355.442 0.924 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972920 1193889448 /nfs/dbraw/zinc/88/94/48/1193889448.db2.gz PDRRZORIUDWLAA-JKIFEVAISA-N 2 1 355.442 0.924 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)ncn2)CC1 ZINC001218573341 1224175298 /nfs/dbraw/zinc/17/52/98/1224175298.db2.gz VMOXHXKHMDSHDY-JKSUJKDBSA-N 2 1 373.505 0.241 20 0 FCADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757201 1193891625 /nfs/dbraw/zinc/89/16/25/1193891625.db2.gz NHSQEDVIDGXSEB-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757201 1193891626 /nfs/dbraw/zinc/89/16/26/1193891626.db2.gz NHSQEDVIDGXSEB-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757201 1193891627 /nfs/dbraw/zinc/89/16/27/1193891627.db2.gz NHSQEDVIDGXSEB-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757201 1193891629 /nfs/dbraw/zinc/89/16/29/1193891629.db2.gz NHSQEDVIDGXSEB-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)ncn2)CC1 ZINC001218573337 1224175605 /nfs/dbraw/zinc/17/56/05/1224175605.db2.gz VMOXHXKHMDSHDY-CVEARBPZSA-N 2 1 373.505 0.241 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[C@@H](OC(C)(C)C)C[NH2+]3)ncn2)CC1 ZINC001218573259 1224175721 /nfs/dbraw/zinc/17/57/21/1224175721.db2.gz STCGGSIPQCKEOE-KGLIPLIRSA-N 2 1 362.478 0.713 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)ncn2)CC1 ZINC001218573339 1224176049 /nfs/dbraw/zinc/17/60/49/1224176049.db2.gz VMOXHXKHMDSHDY-HOTGVXAUSA-N 2 1 373.505 0.241 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000552472751 1193933343 /nfs/dbraw/zinc/93/33/43/1193933343.db2.gz MAYVQYCSWNOBDE-HNNXBMFYSA-N 2 1 362.474 0.831 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000552539769 1193938176 /nfs/dbraw/zinc/93/81/76/1193938176.db2.gz AMOPRLYCUFUDDO-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000552539769 1193938180 /nfs/dbraw/zinc/93/81/80/1193938180.db2.gz AMOPRLYCUFUDDO-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000552539846 1193938436 /nfs/dbraw/zinc/93/84/36/1193938436.db2.gz DAKKYOSLMXIKKN-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000552539846 1193938439 /nfs/dbraw/zinc/93/84/39/1193938439.db2.gz DAKKYOSLMXIKKN-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000552747267 1193949513 /nfs/dbraw/zinc/94/95/13/1193949513.db2.gz ALHNFELYUAHZDW-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000552747267 1193949514 /nfs/dbraw/zinc/94/95/14/1193949514.db2.gz ALHNFELYUAHZDW-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000552882074 1193957788 /nfs/dbraw/zinc/95/77/88/1193957788.db2.gz CJDZZFYUULRDBV-UHFFFAOYSA-N 2 1 365.478 0.313 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnn(CC(N)=O)c3)CC2)CC1 ZINC000552998862 1193964230 /nfs/dbraw/zinc/96/42/30/1193964230.db2.gz OXENXDOKLFZWHC-UHFFFAOYSA-N 2 1 362.478 0.503 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735638 1194017408 /nfs/dbraw/zinc/01/74/08/1194017408.db2.gz WPIJLSGHECXZTF-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218639768 1224187186 /nfs/dbraw/zinc/18/71/86/1224187186.db2.gz BOYMHXQREYTXCN-GOSISDBHSA-N 3 1 366.469 0.688 20 0 FCADMP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218639768 1224187188 /nfs/dbraw/zinc/18/71/88/1224187188.db2.gz BOYMHXQREYTXCN-GOSISDBHSA-N 3 1 366.469 0.688 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645002 1224188138 /nfs/dbraw/zinc/18/81/38/1224188138.db2.gz BAMBEYCMZMJEMO-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645002 1224188144 /nfs/dbraw/zinc/18/81/44/1224188144.db2.gz BAMBEYCMZMJEMO-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645002 1224188147 /nfs/dbraw/zinc/18/81/47/1224188147.db2.gz BAMBEYCMZMJEMO-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP [NH3+]C1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CCN(Cc2ccccc2)CC1 ZINC001218640836 1224188577 /nfs/dbraw/zinc/18/85/77/1224188577.db2.gz LWDMSFVHUCLLOR-UHFFFAOYSA-N 2 1 354.458 0.959 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842187763 1194085996 /nfs/dbraw/zinc/08/59/96/1194085996.db2.gz ADGVSRCQXZJALO-XLIONFOSSA-N 2 1 374.485 0.201 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001076047000 1194272428 /nfs/dbraw/zinc/27/24/28/1194272428.db2.gz XCDAXDJGACSSSP-IAOVAPTHSA-N 2 1 353.426 0.711 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001076047001 1194273490 /nfs/dbraw/zinc/27/34/90/1194273490.db2.gz XCDAXDJGACSSSP-RRQGHBQHSA-N 2 1 353.426 0.711 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001076086115 1194299315 /nfs/dbraw/zinc/29/93/15/1194299315.db2.gz PYYQAMLOZXLBPS-YQVWRLOYSA-N 2 1 360.502 0.626 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001076086115 1194299317 /nfs/dbraw/zinc/29/93/17/1194299317.db2.gz PYYQAMLOZXLBPS-YQVWRLOYSA-N 2 1 360.502 0.626 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001076161631 1194336628 /nfs/dbraw/zinc/33/66/28/1194336628.db2.gz RFHATMQXCKLXAO-RCCFBDPRSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001076161631 1194336631 /nfs/dbraw/zinc/33/66/31/1194336631.db2.gz RFHATMQXCKLXAO-RCCFBDPRSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001076161631 1194336633 /nfs/dbraw/zinc/33/66/33/1194336633.db2.gz RFHATMQXCKLXAO-RCCFBDPRSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241226 1194363231 /nfs/dbraw/zinc/36/32/31/1194363231.db2.gz HNLQWJAHCGADEV-HRCADAONSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241226 1194363235 /nfs/dbraw/zinc/36/32/35/1194363235.db2.gz HNLQWJAHCGADEV-HRCADAONSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241226 1194363238 /nfs/dbraw/zinc/36/32/38/1194363238.db2.gz HNLQWJAHCGADEV-HRCADAONSA-N 2 1 362.474 0.152 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242576 1194370375 /nfs/dbraw/zinc/37/03/75/1194370375.db2.gz KEGLRFIQJRKUJE-QILLFSRXSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242576 1194370380 /nfs/dbraw/zinc/37/03/80/1194370380.db2.gz KEGLRFIQJRKUJE-QILLFSRXSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242576 1194370385 /nfs/dbraw/zinc/37/03/85/1194370385.db2.gz KEGLRFIQJRKUJE-QILLFSRXSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242576 1194370389 /nfs/dbraw/zinc/37/03/89/1194370389.db2.gz KEGLRFIQJRKUJE-QILLFSRXSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001076324608 1194396945 /nfs/dbraw/zinc/39/69/45/1194396945.db2.gz VXSKVFBAUMYOSG-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)OC(=O)CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794860 1224214139 /nfs/dbraw/zinc/21/41/39/1224214139.db2.gz SVLCSRVYLAMIHE-DNVCBOLYSA-N 2 1 369.506 0.611 20 0 FCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076344822 1194407007 /nfs/dbraw/zinc/40/70/07/1194407007.db2.gz AJZJJGBJJWGEDQ-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076344822 1194407014 /nfs/dbraw/zinc/40/70/14/1194407014.db2.gz AJZJJGBJJWGEDQ-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076399049 1194456785 /nfs/dbraw/zinc/45/67/85/1194456785.db2.gz UCWQFZSOINVMSU-SOLBZPMBSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076399049 1194456792 /nfs/dbraw/zinc/45/67/92/1194456792.db2.gz UCWQFZSOINVMSU-SOLBZPMBSA-N 2 1 362.518 0.918 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462240 1194506675 /nfs/dbraw/zinc/50/66/75/1194506675.db2.gz NHABAKCMADSDCP-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462240 1194506688 /nfs/dbraw/zinc/50/66/88/1194506688.db2.gz NHABAKCMADSDCP-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462240 1194506697 /nfs/dbraw/zinc/50/66/97/1194506697.db2.gz NHABAKCMADSDCP-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462240 1194506707 /nfs/dbraw/zinc/50/67/07/1194506707.db2.gz NHABAKCMADSDCP-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076573716 1194569766 /nfs/dbraw/zinc/56/97/66/1194569766.db2.gz WYBJSARXMMJNFG-YESZJQIVSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076573716 1194569772 /nfs/dbraw/zinc/56/97/72/1194569772.db2.gz WYBJSARXMMJNFG-YESZJQIVSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076573217 1194570137 /nfs/dbraw/zinc/57/01/37/1194570137.db2.gz OPQLYYGSCCBNGT-CGTJXYLNSA-N 2 1 371.485 0.878 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076573217 1194570142 /nfs/dbraw/zinc/57/01/42/1194570142.db2.gz OPQLYYGSCCBNGT-CGTJXYLNSA-N 2 1 371.485 0.878 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076573220 1194570410 /nfs/dbraw/zinc/57/04/10/1194570410.db2.gz OPQLYYGSCCBNGT-RYQLBKOJSA-N 2 1 371.485 0.878 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076573220 1194570416 /nfs/dbraw/zinc/57/04/16/1194570416.db2.gz OPQLYYGSCCBNGT-RYQLBKOJSA-N 2 1 371.485 0.878 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076571444 1194577008 /nfs/dbraw/zinc/57/70/08/1194577008.db2.gz KBKZCAVRMQFIFN-CGTJXYLNSA-N 2 1 360.502 0.768 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001276796118 1224228947 /nfs/dbraw/zinc/22/89/47/1224228947.db2.gz WTVRALCMDWJFRO-KLHDSHLOSA-N 2 1 366.506 0.079 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001276796118 1224228956 /nfs/dbraw/zinc/22/89/56/1224228956.db2.gz WTVRALCMDWJFRO-KLHDSHLOSA-N 2 1 366.506 0.079 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845017 1224238746 /nfs/dbraw/zinc/23/87/46/1224238746.db2.gz RXVFPHSEVMSITH-ZWKOTPCHSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)n1 ZINC001077014296 1195148481 /nfs/dbraw/zinc/14/84/81/1195148481.db2.gz OFCHRENLJDHENB-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)n1 ZINC001077014296 1195148493 /nfs/dbraw/zinc/14/84/93/1195148493.db2.gz OFCHRENLJDHENB-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP O=C(N[C@@H]1CN(CCn2cccn2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001077131136 1195246960 /nfs/dbraw/zinc/24/69/60/1195246960.db2.gz NZTDQGQLFSNDRP-KZNAEPCWSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001077131136 1195246965 /nfs/dbraw/zinc/24/69/65/1195246965.db2.gz NZTDQGQLFSNDRP-KZNAEPCWSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001077131136 1195246970 /nfs/dbraw/zinc/24/69/70/1195246970.db2.gz NZTDQGQLFSNDRP-KZNAEPCWSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001077131136 1195246976 /nfs/dbraw/zinc/24/69/76/1195246976.db2.gz NZTDQGQLFSNDRP-KZNAEPCWSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001077131136 1195246979 /nfs/dbraw/zinc/24/69/79/1195246979.db2.gz NZTDQGQLFSNDRP-KZNAEPCWSA-N 2 1 361.490 0.451 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131518 1195248301 /nfs/dbraw/zinc/24/83/01/1195248301.db2.gz DVNLJRUDUFKLHR-RCCFBDPRSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131518 1195248304 /nfs/dbraw/zinc/24/83/04/1195248304.db2.gz DVNLJRUDUFKLHR-RCCFBDPRSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131518 1195248307 /nfs/dbraw/zinc/24/83/07/1195248307.db2.gz DVNLJRUDUFKLHR-RCCFBDPRSA-N 2 1 363.506 0.387 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001077148093 1195270445 /nfs/dbraw/zinc/27/04/45/1195270445.db2.gz WOTZJUWZPVPDPD-GVDBMIGSSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001077148093 1195270451 /nfs/dbraw/zinc/27/04/51/1195270451.db2.gz WOTZJUWZPVPDPD-GVDBMIGSSA-N 2 1 368.522 0.448 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219420 1195328153 /nfs/dbraw/zinc/32/81/53/1195328153.db2.gz QDDAQLXBMWSHJI-RCCFBDPRSA-N 2 1 365.518 0.983 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)cn1 ZINC001077233177 1195342304 /nfs/dbraw/zinc/34/23/04/1195342304.db2.gz MZDQSYIAFOZSEM-IAGOWNOFSA-N 2 1 354.414 0.314 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)cn1 ZINC001077233177 1195342310 /nfs/dbraw/zinc/34/23/10/1195342310.db2.gz MZDQSYIAFOZSEM-IAGOWNOFSA-N 2 1 354.414 0.314 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077280867 1195382032 /nfs/dbraw/zinc/38/20/32/1195382032.db2.gz OJQBXRSINXJVQG-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077280867 1195382039 /nfs/dbraw/zinc/38/20/39/1195382039.db2.gz OJQBXRSINXJVQG-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077280867 1195382042 /nfs/dbraw/zinc/38/20/42/1195382042.db2.gz OJQBXRSINXJVQG-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077280867 1195382048 /nfs/dbraw/zinc/38/20/48/1195382048.db2.gz OJQBXRSINXJVQG-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCCC1 ZINC001077300174 1195400186 /nfs/dbraw/zinc/40/01/86/1195400186.db2.gz ZQLYISAQRLEBLW-KZNAEPCWSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366542 1195466282 /nfs/dbraw/zinc/46/62/82/1195466282.db2.gz NNWSDEUZAOURJR-IAOVAPTHSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580090 1195528349 /nfs/dbraw/zinc/52/83/49/1195528349.db2.gz PNWYIROTRXIPDO-UHOSZYNNSA-N 2 1 354.454 0.850 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CC[NH2+]CC1 ZINC000904300166 1195530152 /nfs/dbraw/zinc/53/01/52/1195530152.db2.gz XPZRXRUJAFVSOJ-INIZCTEOSA-N 2 1 361.490 0.333 20 0 FCADMP O=C([C@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CCNCC1 ZINC000904300166 1195530156 /nfs/dbraw/zinc/53/01/56/1195530156.db2.gz XPZRXRUJAFVSOJ-INIZCTEOSA-N 2 1 361.490 0.333 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CCNCC1 ZINC000904300166 1195530162 /nfs/dbraw/zinc/53/01/62/1195530162.db2.gz XPZRXRUJAFVSOJ-INIZCTEOSA-N 2 1 361.490 0.333 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591118 1195586166 /nfs/dbraw/zinc/58/61/66/1195586166.db2.gz LVPKBACDJRSDKE-QGTPRVQTSA-N 2 1 358.442 0.844 20 0 FCADMP CN(Cc1cn(CC(=O)NCC(C)(C)N2CCOCC2)nn1)C(C)(C)C ZINC000905789604 1195601722 /nfs/dbraw/zinc/60/17/22/1195601722.db2.gz VXYOMCLOLSYMTI-UHFFFAOYSA-N 2 1 366.510 0.735 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccn1CCN1CCOCC1 ZINC000906459104 1195631723 /nfs/dbraw/zinc/63/17/23/1195631723.db2.gz JNPIPIRVQSEDCT-IRXDYDNUSA-N 2 1 362.474 0.413 20 0 FCADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000906785106 1195664138 /nfs/dbraw/zinc/66/41/38/1195664138.db2.gz DVBSIIVRXWGARN-PXNSSMCTSA-N 2 1 374.529 0.886 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCCC1 ZINC001083602520 1195667446 /nfs/dbraw/zinc/66/74/46/1195667446.db2.gz ZQLYISAQRLEBLW-SQNIBIBYSA-N 2 1 365.518 0.981 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000907083705 1195680191 /nfs/dbraw/zinc/68/01/91/1195680191.db2.gz ICRKMGHTGIEPOX-QGZVFWFLSA-N 2 1 360.506 0.654 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907555875 1195700462 /nfs/dbraw/zinc/70/04/62/1195700462.db2.gz ZEUMTJWDYJGXQT-DFQSSKMNSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907555875 1195700467 /nfs/dbraw/zinc/70/04/67/1195700467.db2.gz ZEUMTJWDYJGXQT-DFQSSKMNSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907555875 1195700470 /nfs/dbraw/zinc/70/04/70/1195700470.db2.gz ZEUMTJWDYJGXQT-DFQSSKMNSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000910828344 1195847604 /nfs/dbraw/zinc/84/76/04/1195847604.db2.gz IIBOMBXZGINOBR-XYJFISCASA-N 2 1 371.485 0.671 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000911010301 1195877940 /nfs/dbraw/zinc/87/79/40/1195877940.db2.gz XZJMDZNRMSLZHW-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911097637 1195888793 /nfs/dbraw/zinc/88/87/93/1195888793.db2.gz SUDNXAPAMMZIMF-LZLYRXPVSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000911127823 1195893709 /nfs/dbraw/zinc/89/37/09/1195893709.db2.gz ZPSYRZDDMUCYCI-ATLSCFEFSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000911111564 1195895643 /nfs/dbraw/zinc/89/56/43/1195895643.db2.gz MBAWUZRLAVYXPL-HZPDHXFCSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000911111564 1195895644 /nfs/dbraw/zinc/89/56/44/1195895644.db2.gz MBAWUZRLAVYXPL-HZPDHXFCSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000911111528 1195895722 /nfs/dbraw/zinc/89/57/22/1195895722.db2.gz LMJOAZQHZKOLPI-ZYSHUDEJSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000911111528 1195895724 /nfs/dbraw/zinc/89/57/24/1195895724.db2.gz LMJOAZQHZKOLPI-ZYSHUDEJSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911177149 1195911270 /nfs/dbraw/zinc/91/12/70/1195911270.db2.gz NGIXQMDAILKGTJ-BPQIPLTHSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911177149 1195911276 /nfs/dbraw/zinc/91/12/76/1195911276.db2.gz NGIXQMDAILKGTJ-BPQIPLTHSA-N 2 1 374.485 0.342 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000911213147 1195915558 /nfs/dbraw/zinc/91/55/58/1195915558.db2.gz USQOOEJCJOWEFP-OAHLLOKOSA-N 2 1 359.474 0.804 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CCC1 ZINC001083644464 1195931991 /nfs/dbraw/zinc/93/19/91/1195931991.db2.gz ICIFDBTYKYHTKP-SQNIBIBYSA-N 2 1 358.442 0.924 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1 ZINC001083644724 1195934541 /nfs/dbraw/zinc/93/45/41/1195934541.db2.gz SOZWPISEVOCLJN-VFBMKALASA-N 2 1 358.442 0.924 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083647774 1196317097 /nfs/dbraw/zinc/31/70/97/1196317097.db2.gz SCKGZSDVMPCLOR-LESCRADOSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083647774 1196317101 /nfs/dbraw/zinc/31/71/01/1196317101.db2.gz SCKGZSDVMPCLOR-LESCRADOSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083647773 1196317137 /nfs/dbraw/zinc/31/71/37/1196317137.db2.gz SCKGZSDVMPCLOR-KYJSFNMBSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083647773 1196317142 /nfs/dbraw/zinc/31/71/42/1196317142.db2.gz SCKGZSDVMPCLOR-KYJSFNMBSA-N 2 1 362.474 0.350 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912989975 1196387180 /nfs/dbraw/zinc/38/71/80/1196387180.db2.gz BKJVPJOWWHGBES-JCYILVPMSA-N 2 1 366.506 0.333 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@@H]1C ZINC000592565965 1196569153 /nfs/dbraw/zinc/56/91/53/1196569153.db2.gz FYSKMPOQRJLQQR-UONOGXRCSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@@H]1C ZINC000592565965 1196569155 /nfs/dbraw/zinc/56/91/55/1196569155.db2.gz FYSKMPOQRJLQQR-UONOGXRCSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592563071 1196569309 /nfs/dbraw/zinc/56/93/09/1196569309.db2.gz UWOJGFXGDZNCCS-KGLIPLIRSA-N 2 1 363.462 0.429 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)C1 ZINC000592964455 1196597404 /nfs/dbraw/zinc/59/74/04/1196597404.db2.gz GVJVUWXNYSTBBA-HOTGVXAUSA-N 2 1 360.506 0.571 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592959826 1196601826 /nfs/dbraw/zinc/60/18/26/1196601826.db2.gz WSIIURMQLWGWCU-KBPBESRZSA-N 2 1 362.478 0.036 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(=O)OC ZINC000593736952 1196651572 /nfs/dbraw/zinc/65/15/72/1196651572.db2.gz ONWJGZIGKVFRHU-RPUYLAQPSA-N 2 1 369.506 0.909 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000594102373 1196691853 /nfs/dbraw/zinc/69/18/53/1196691853.db2.gz MYGMTYPCAWWQPP-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000594102373 1196691857 /nfs/dbraw/zinc/69/18/57/1196691857.db2.gz MYGMTYPCAWWQPP-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000594102373 1196691869 /nfs/dbraw/zinc/69/18/69/1196691869.db2.gz MYGMTYPCAWWQPP-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001105946126 1196749750 /nfs/dbraw/zinc/74/97/50/1196749750.db2.gz LOADXWMAXNBWBL-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088860605 1196805763 /nfs/dbraw/zinc/80/57/63/1196805763.db2.gz SZVNZOHTVPQNAM-CABCVRRESA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088860605 1196805764 /nfs/dbraw/zinc/80/57/64/1196805764.db2.gz SZVNZOHTVPQNAM-CABCVRRESA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088899276 1196830881 /nfs/dbraw/zinc/83/08/81/1196830881.db2.gz VUOOZYSNQQNBTP-ZBFHGGJFSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001088983594 1196856952 /nfs/dbraw/zinc/85/69/52/1196856952.db2.gz FKJDXVFDDDJDHD-PBHICJAKSA-N 2 1 356.470 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)CC[N@@H+]1C ZINC000992089683 1196948445 /nfs/dbraw/zinc/94/84/45/1196948445.db2.gz LXKITKRXVSGGJF-CXAGYDPISA-N 2 1 368.441 0.548 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)CC[N@H+]1C ZINC000992089683 1196948454 /nfs/dbraw/zinc/94/84/54/1196948454.db2.gz LXKITKRXVSGGJF-CXAGYDPISA-N 2 1 368.441 0.548 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504961 1197018688 /nfs/dbraw/zinc/01/86/88/1197018688.db2.gz HDCLSGKWFFQEKJ-KZNAEPCWSA-N 2 1 367.534 0.963 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505276 1197020173 /nfs/dbraw/zinc/02/01/73/1197020173.db2.gz XWDRTNDWUMUYHH-QZTJIDSGSA-N 2 1 361.486 0.715 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505276 1197020180 /nfs/dbraw/zinc/02/01/80/1197020180.db2.gz XWDRTNDWUMUYHH-QZTJIDSGSA-N 2 1 361.486 0.715 20 0 FCADMP Cc1c(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC000992319648 1197066824 /nfs/dbraw/zinc/06/68/24/1197066824.db2.gz QIFBRZDBPJKKKB-MLGOLLRUSA-N 2 1 355.442 0.924 20 0 FCADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc2ccccc12 ZINC001272413397 1197067330 /nfs/dbraw/zinc/06/73/30/1197067330.db2.gz CIJZFIDLETZDSO-HLLBOEOZSA-N 2 1 371.485 0.845 20 0 FCADMP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc2ccccc12 ZINC001272413397 1197067335 /nfs/dbraw/zinc/06/73/35/1197067335.db2.gz CIJZFIDLETZDSO-HLLBOEOZSA-N 2 1 371.485 0.845 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106249240 1197782607 /nfs/dbraw/zinc/78/26/07/1197782607.db2.gz DIXOLQOMWNLZIA-OAGGEKHMSA-N 2 1 359.474 0.677 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255214 1197793182 /nfs/dbraw/zinc/79/31/82/1197793182.db2.gz JVFKGOCAXYFVAG-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000993077100 1197801929 /nfs/dbraw/zinc/80/19/29/1197801929.db2.gz KFZGJFKWMGRYPK-SQGPQFPESA-N 2 1 362.518 0.729 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001085394132 1197862086 /nfs/dbraw/zinc/86/20/86/1197862086.db2.gz WLDORJYKDPKVGW-RBSFLKMASA-N 2 1 364.494 0.994 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001085394132 1197862088 /nfs/dbraw/zinc/86/20/88/1197862088.db2.gz WLDORJYKDPKVGW-RBSFLKMASA-N 2 1 364.494 0.994 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC000735588459 1197864113 /nfs/dbraw/zinc/86/41/13/1197864113.db2.gz IKHYESGINAQXIQ-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735585107 1197864430 /nfs/dbraw/zinc/86/44/30/1197864430.db2.gz DTGNBUOQUKEYCR-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC000735586540 1197864599 /nfs/dbraw/zinc/86/45/99/1197864599.db2.gz CZJLELKHKZNXQQ-UHFFFAOYSA-N 2 1 359.474 0.587 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321752 1197864903 /nfs/dbraw/zinc/86/49/03/1197864903.db2.gz DOENDXIAUXFXEC-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106340381 1197870193 /nfs/dbraw/zinc/87/01/93/1197870193.db2.gz VEGSUULTLNWMKR-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352644 1197874708 /nfs/dbraw/zinc/87/47/08/1197874708.db2.gz ZDINMWBWCZEQDQ-HUUCEWRRSA-N 2 1 368.478 0.697 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCNC(=O)c3ccc(F)cc3)cn2)CC1 ZINC000761957363 1197875341 /nfs/dbraw/zinc/87/53/41/1197875341.db2.gz ADEIMQVUCYCXDO-UHFFFAOYSA-N 2 1 372.448 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)C1 ZINC001085429292 1197895872 /nfs/dbraw/zinc/89/58/72/1197895872.db2.gz MZPQGAIUFMXAJZ-KURKYZTESA-N 2 1 363.506 0.700 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)C1 ZINC001085429292 1197895875 /nfs/dbraw/zinc/89/58/75/1197895875.db2.gz MZPQGAIUFMXAJZ-KURKYZTESA-N 2 1 363.506 0.700 20 0 FCADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322142 1198001265 /nfs/dbraw/zinc/00/12/65/1198001265.db2.gz RAQQOZFRILXMNN-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322142 1198001277 /nfs/dbraw/zinc/00/12/77/1198001277.db2.gz RAQQOZFRILXMNN-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086090530 1198155654 /nfs/dbraw/zinc/15/56/54/1198155654.db2.gz CXVKWDRHXRFECQ-APIJFGDWSA-N 2 1 365.478 0.583 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086090530 1198155656 /nfs/dbraw/zinc/15/56/56/1198155656.db2.gz CXVKWDRHXRFECQ-APIJFGDWSA-N 2 1 365.478 0.583 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001086120069 1198177815 /nfs/dbraw/zinc/17/78/15/1198177815.db2.gz KPRGTYQLDFSRTM-DQEVTTJGSA-N 2 1 361.486 0.882 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001086120069 1198177829 /nfs/dbraw/zinc/17/78/29/1198177829.db2.gz KPRGTYQLDFSRTM-DQEVTTJGSA-N 2 1 361.486 0.882 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086120096 1198179452 /nfs/dbraw/zinc/17/94/52/1198179452.db2.gz LWKNJWHOSVVAGN-NQNKBUKLSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086120096 1198179469 /nfs/dbraw/zinc/17/94/69/1198179469.db2.gz LWKNJWHOSVVAGN-NQNKBUKLSA-N 2 1 366.506 0.199 20 0 FCADMP NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCc4c[nH+]cn43)CC2)CC1 ZINC001273403074 1198201627 /nfs/dbraw/zinc/20/16/27/1198201627.db2.gz WJYFNNRYAARLOQ-KRWDZBQOSA-N 2 1 359.474 0.949 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086205312 1198254606 /nfs/dbraw/zinc/25/46/06/1198254606.db2.gz KVDIKPOZEWXKCF-YGTYDBBMSA-N 2 1 358.486 0.690 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001006295568 1198308534 /nfs/dbraw/zinc/30/85/34/1198308534.db2.gz SYMSKHQXIACLMG-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001006295568 1198308545 /nfs/dbraw/zinc/30/85/45/1198308545.db2.gz SYMSKHQXIACLMG-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@H]([NH3+])c1cccnc1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219497903 1224488259 /nfs/dbraw/zinc/48/82/59/1224488259.db2.gz JSEMXQGSQCIZEY-APWZRJJASA-N 2 1 367.409 0.912 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000746046369 1198961418 /nfs/dbraw/zinc/96/14/18/1198961418.db2.gz YEFJXFZJGHCITM-MRXNPFEDSA-N 2 1 373.501 0.835 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168813425 1199036014 /nfs/dbraw/zinc/03/60/14/1199036014.db2.gz UQTXTPGMXLSHQQ-XQQFMLRXSA-N 2 1 371.482 0.779 20 0 FCADMP CC(=O)N1CC[C@@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169545444 1199075479 /nfs/dbraw/zinc/07/54/79/1199075479.db2.gz LRNGAYJFLFDFOB-MRXNPFEDSA-N 2 1 358.490 0.250 20 0 FCADMP CC(=O)N1CC[C@@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169545444 1199075485 /nfs/dbraw/zinc/07/54/85/1199075485.db2.gz LRNGAYJFLFDFOB-MRXNPFEDSA-N 2 1 358.490 0.250 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369681 1199131429 /nfs/dbraw/zinc/13/14/29/1199131429.db2.gz CWSQRYXYRZFYJG-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369681 1199131435 /nfs/dbraw/zinc/13/14/35/1199131435.db2.gz CWSQRYXYRZFYJG-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369681 1199131439 /nfs/dbraw/zinc/13/14/39/1199131439.db2.gz CWSQRYXYRZFYJG-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP C[NH2+][C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725201 1224578124 /nfs/dbraw/zinc/57/81/24/1224578124.db2.gz BMQNSRHBOBXSCV-QRQLOZEOSA-N 3 1 374.529 0.573 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001219725753 1224578711 /nfs/dbraw/zinc/57/87/11/1224578711.db2.gz GIUXGBCNEBKSBT-RBUKOAKNSA-N 3 1 371.529 0.166 20 0 FCADMP C[NH2+][C@@H](CO)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727232 1224579323 /nfs/dbraw/zinc/57/93/23/1224579323.db2.gz ZMQHDFRNCHZOTP-ROUUACIJSA-N 3 1 360.502 0.185 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCCN1 ZINC001219727139 1224579704 /nfs/dbraw/zinc/57/97/04/1224579704.db2.gz XSRRVHOMDQYOGT-MOPGFXCFSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001219727139 1224579709 /nfs/dbraw/zinc/57/97/09/1224579709.db2.gz XSRRVHOMDQYOGT-MOPGFXCFSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001219727139 1224579719 /nfs/dbraw/zinc/57/97/19/1224579719.db2.gz XSRRVHOMDQYOGT-MOPGFXCFSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219729402 1224580648 /nfs/dbraw/zinc/58/06/48/1224580648.db2.gz VNPUUIVUNYYIEH-QYZOEREBSA-N 3 1 372.513 0.327 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219731631 1224582539 /nfs/dbraw/zinc/58/25/39/1224582539.db2.gz FEHJGDWAXZSRGY-KFWWJZLASA-N 2 1 371.457 0.152 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219731631 1224582547 /nfs/dbraw/zinc/58/25/47/1224582547.db2.gz FEHJGDWAXZSRGY-KFWWJZLASA-N 2 1 371.457 0.152 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737182 1224585637 /nfs/dbraw/zinc/58/56/37/1224585637.db2.gz QFGUMKGKCZZQNY-ZWKOTPCHSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737182 1224585647 /nfs/dbraw/zinc/58/56/47/1224585647.db2.gz QFGUMKGKCZZQNY-ZWKOTPCHSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219741277 1224587806 /nfs/dbraw/zinc/58/78/06/1224587806.db2.gz FZDKRJUTZANBKK-SJLPKXTDSA-N 2 1 364.534 0.868 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384901 1200088438 /nfs/dbraw/zinc/08/84/38/1200088438.db2.gz BLWBLPKRCZLCCH-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384901 1200088450 /nfs/dbraw/zinc/08/84/50/1200088450.db2.gz BLWBLPKRCZLCCH-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384901 1200088456 /nfs/dbraw/zinc/08/84/56/1200088456.db2.gz BLWBLPKRCZLCCH-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001109406227 1200252410 /nfs/dbraw/zinc/25/24/10/1200252410.db2.gz SGEUPWWOVYMUDC-LLDVTBCESA-N 2 1 362.474 0.197 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001109406227 1200252414 /nfs/dbraw/zinc/25/24/14/1200252414.db2.gz SGEUPWWOVYMUDC-LLDVTBCESA-N 2 1 362.474 0.197 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109473127 1200316515 /nfs/dbraw/zinc/31/65/15/1200316515.db2.gz WZKNEBRAQJPIFT-KCMWZYNZSA-N 2 1 358.442 0.985 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001109651009 1200443448 /nfs/dbraw/zinc/44/34/48/1200443448.db2.gz FAHDFLFMIHNXDK-WCVJEAGWSA-N 2 1 358.490 0.829 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669052 1200458397 /nfs/dbraw/zinc/45/83/97/1200458397.db2.gz LSLIXQWUQUAGEA-SQNIBIBYSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC001109672333 1200460081 /nfs/dbraw/zinc/46/00/81/1200460081.db2.gz BZRUKBMZNCSAJF-LMSBXDPUSA-N 2 1 369.506 0.216 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCc1ccco1 ZINC001109672613 1200460472 /nfs/dbraw/zinc/46/04/72/1200460472.db2.gz MXBMSCGQJYJSAE-FZCLSBEQSA-N 2 1 365.474 0.830 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O)CC(C)(C)C ZINC001109724178 1200482780 /nfs/dbraw/zinc/48/27/80/1200482780.db2.gz FYDKKKMBWAEXML-PMPSAXMXSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O)CC(C)(C)C ZINC001109724178 1200482783 /nfs/dbraw/zinc/48/27/83/1200482783.db2.gz FYDKKKMBWAEXML-PMPSAXMXSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)CC(C)(C)C ZINC001109724178 1200482786 /nfs/dbraw/zinc/48/27/86/1200482786.db2.gz FYDKKKMBWAEXML-PMPSAXMXSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)CC(C)(C)C ZINC001109724178 1200482789 /nfs/dbraw/zinc/48/27/89/1200482789.db2.gz FYDKKKMBWAEXML-PMPSAXMXSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794792 1224615330 /nfs/dbraw/zinc/61/53/30/1224615330.db2.gz OSGBDMCZRLWZSQ-SQNIBIBYSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794792 1224615333 /nfs/dbraw/zinc/61/53/33/1224615333.db2.gz OSGBDMCZRLWZSQ-SQNIBIBYSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794792 1224615338 /nfs/dbraw/zinc/61/53/38/1224615338.db2.gz OSGBDMCZRLWZSQ-SQNIBIBYSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794792 1224615344 /nfs/dbraw/zinc/61/53/44/1224615344.db2.gz OSGBDMCZRLWZSQ-SQNIBIBYSA-N 2 1 369.506 0.216 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219796172 1224617660 /nfs/dbraw/zinc/61/76/60/1224617660.db2.gz OYMJTYXZDQREIH-VQIMIIECSA-N 2 1 363.550 0.393 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cc1 ZINC001219798914 1224618528 /nfs/dbraw/zinc/61/85/28/1224618528.db2.gz XYZQGQACKUKHPR-MSOLQXFVSA-N 2 1 361.486 0.883 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960987 1200638924 /nfs/dbraw/zinc/63/89/24/1200638924.db2.gz IKAYHCQLYQUFNB-XWSJACJDSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982704 1200675811 /nfs/dbraw/zinc/67/58/11/1200675811.db2.gz OPAHWOXVKUCNBT-OWSLCNJRSA-N 2 1 365.518 0.837 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110002556 1200694539 /nfs/dbraw/zinc/69/45/39/1200694539.db2.gz LOJYNOBZQJMLLL-BDXSIMOUSA-N 2 1 363.506 0.697 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000785521359 1200766316 /nfs/dbraw/zinc/76/63/16/1200766316.db2.gz VILPRKGWVLTOOE-DLBZAZTESA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112557663 1200784534 /nfs/dbraw/zinc/78/45/34/1200784534.db2.gz RIELQDOEMYSBHZ-GLJUWKHASA-N 2 1 367.494 0.130 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112563673 1200793848 /nfs/dbraw/zinc/79/38/48/1200793848.db2.gz HOUYWKCASLGHPD-ZWOKBUDYSA-N 2 1 362.518 0.779 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C3)n1 ZINC001112565968 1200799799 /nfs/dbraw/zinc/79/97/99/1200799799.db2.gz CHCKQKLIWIFSTL-YJBOKZPZSA-N 2 1 363.510 0.660 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1ccccc1 ZINC001112585933 1200821699 /nfs/dbraw/zinc/82/16/99/1200821699.db2.gz AAEVFLINTZNDRX-HQRMLTQVSA-N 2 1 358.486 0.993 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586143 1200822385 /nfs/dbraw/zinc/82/23/85/1200822385.db2.gz JLJXZUINPMLTRS-KSSFIOAISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000787123501 1200869187 /nfs/dbraw/zinc/86/91/87/1200869187.db2.gz LJPKQGZJJPXWOH-WMLDXEAASA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000788460777 1200961642 /nfs/dbraw/zinc/96/16/42/1200961642.db2.gz PZJJKIHRBQMURI-QZTJIDSGSA-N 2 1 374.485 0.344 20 0 FCADMP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000790273090 1201065132 /nfs/dbraw/zinc/06/51/32/1201065132.db2.gz CRKGYZBQSSBUTR-BZUAXINKSA-N 2 1 359.474 0.869 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400742 1201306742 /nfs/dbraw/zinc/30/67/42/1201306742.db2.gz ZFKITVLSCQQJTH-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400742 1201306747 /nfs/dbraw/zinc/30/67/47/1201306747.db2.gz ZFKITVLSCQQJTH-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400742 1201306752 /nfs/dbraw/zinc/30/67/52/1201306752.db2.gz ZFKITVLSCQQJTH-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453511 1201310441 /nfs/dbraw/zinc/31/04/41/1201310441.db2.gz AVJGMNIIRBMKSG-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129433629 1201313463 /nfs/dbraw/zinc/31/34/63/1201313463.db2.gz JJUVZUREWJPSAC-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129433629 1201313466 /nfs/dbraw/zinc/31/34/66/1201313466.db2.gz JJUVZUREWJPSAC-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433538 1201313857 /nfs/dbraw/zinc/31/38/57/1201313857.db2.gz FVMOZQQDDGNRQS-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623407 1201348393 /nfs/dbraw/zinc/34/83/93/1201348393.db2.gz CKHDXHKIIXMTII-OKZBNKHCSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623407 1201348401 /nfs/dbraw/zinc/34/84/01/1201348401.db2.gz CKHDXHKIIXMTII-OKZBNKHCSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086623407 1201348408 /nfs/dbraw/zinc/34/84/08/1201348408.db2.gz CKHDXHKIIXMTII-OKZBNKHCSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086623407 1201348412 /nfs/dbraw/zinc/34/84/12/1201348412.db2.gz CKHDXHKIIXMTII-OKZBNKHCSA-N 2 1 358.486 0.611 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@@H]1O)[NH+](C)C ZINC001219874935 1224667284 /nfs/dbraw/zinc/66/72/84/1224667284.db2.gz JAJOXZPOMQYNSO-KURKYZTESA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@@H]1O)[NH+](C)C ZINC001219874935 1224667289 /nfs/dbraw/zinc/66/72/89/1224667289.db2.gz JAJOXZPOMQYNSO-KURKYZTESA-N 2 1 365.474 0.576 20 0 FCADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716855 1201376338 /nfs/dbraw/zinc/37/63/38/1201376338.db2.gz DFZYMAROIBIQGD-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716855 1201376340 /nfs/dbraw/zinc/37/63/40/1201376340.db2.gz DFZYMAROIBIQGD-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838125 1201410473 /nfs/dbraw/zinc/41/04/73/1201410473.db2.gz ROEDZBIAVFUFHR-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012016 1201471083 /nfs/dbraw/zinc/47/10/83/1201471083.db2.gz JKTNDPGIJVMGHL-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011967 1201471408 /nfs/dbraw/zinc/47/14/08/1201471408.db2.gz HCKPFGAXVKKAQU-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130047832 1201486397 /nfs/dbraw/zinc/48/63/97/1201486397.db2.gz VVJZKRTVAKKAEO-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001130079388 1201495943 /nfs/dbraw/zinc/49/59/43/1201495943.db2.gz IERQUFFTJFNXBV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130079279 1201496143 /nfs/dbraw/zinc/49/61/43/1201496143.db2.gz BKDAQHPAFVLTSY-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130079279 1201496145 /nfs/dbraw/zinc/49/61/45/1201496145.db2.gz BKDAQHPAFVLTSY-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)cc2F)O1 ZINC001130180690 1201524482 /nfs/dbraw/zinc/52/44/82/1201524482.db2.gz ULQZJTUVJKAXOI-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)cc2F)O1 ZINC001130180690 1201524487 /nfs/dbraw/zinc/52/44/87/1201524487.db2.gz ULQZJTUVJKAXOI-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)c(F)c2)O1 ZINC001130180766 1201525153 /nfs/dbraw/zinc/52/51/53/1201525153.db2.gz YAJWNMOOLPKYPF-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)c(F)c2)O1 ZINC001130180766 1201525156 /nfs/dbraw/zinc/52/51/56/1201525156.db2.gz YAJWNMOOLPKYPF-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)cc(F)c2)O1 ZINC001130184205 1201535655 /nfs/dbraw/zinc/53/56/55/1201535655.db2.gz GBOVAKULFSDKGH-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)cc(F)c2)O1 ZINC001130184205 1201535659 /nfs/dbraw/zinc/53/56/59/1201535659.db2.gz GBOVAKULFSDKGH-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n[nH]1 ZINC001130235070 1201559041 /nfs/dbraw/zinc/55/90/41/1201559041.db2.gz SVKGFDIZBYKCGL-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n1 ZINC001130235070 1201559044 /nfs/dbraw/zinc/55/90/44/1201559044.db2.gz SVKGFDIZBYKCGL-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001130237776 1201560230 /nfs/dbraw/zinc/56/02/30/1201560230.db2.gz DMBSCUDHZNDMSX-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130237776 1201560233 /nfs/dbraw/zinc/56/02/33/1201560233.db2.gz DMBSCUDHZNDMSX-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130237776 1201560234 /nfs/dbraw/zinc/56/02/34/1201560234.db2.gz DMBSCUDHZNDMSX-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219922670 1224682759 /nfs/dbraw/zinc/68/27/59/1224682759.db2.gz AOIKSTUVKSETPB-SJORKVTESA-N 2 1 362.430 0.081 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219922670 1224682761 /nfs/dbraw/zinc/68/27/61/1224682761.db2.gz AOIKSTUVKSETPB-SJORKVTESA-N 2 1 362.430 0.081 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130251521 1201570515 /nfs/dbraw/zinc/57/05/15/1201570515.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130251521 1201570517 /nfs/dbraw/zinc/57/05/17/1201570517.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130251521 1201570518 /nfs/dbraw/zinc/57/05/18/1201570518.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 2 1 364.494 0.633 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130734431 1202768573 /nfs/dbraw/zinc/76/85/73/1202768573.db2.gz PGHDXEGGGHIEEP-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130820559 1202809812 /nfs/dbraw/zinc/80/98/12/1202809812.db2.gz YCNMVMCEYJWRLZ-UONOGXRCSA-N 2 1 370.473 0.930 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001086659140 1202871950 /nfs/dbraw/zinc/87/19/50/1202871950.db2.gz LODHQIABIOXGEB-ZNMIVQPWSA-N 2 1 363.510 0.897 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316827 1202886053 /nfs/dbraw/zinc/88/60/53/1202886053.db2.gz XQYYEEHNEHANAJ-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316827 1202886056 /nfs/dbraw/zinc/88/60/56/1202886056.db2.gz XQYYEEHNEHANAJ-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131316827 1202886059 /nfs/dbraw/zinc/88/60/59/1202886059.db2.gz XQYYEEHNEHANAJ-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131316827 1202886061 /nfs/dbraw/zinc/88/60/61/1202886061.db2.gz XQYYEEHNEHANAJ-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665036 1202887150 /nfs/dbraw/zinc/88/71/50/1202887150.db2.gz NZNFHSLAGKNZHJ-USXIJHARSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665036 1202887151 /nfs/dbraw/zinc/88/71/51/1202887151.db2.gz NZNFHSLAGKNZHJ-USXIJHARSA-N 2 1 362.474 0.795 20 0 FCADMP CC(C)OCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361761 1202890746 /nfs/dbraw/zinc/89/07/46/1202890746.db2.gz CHORDEQTJQMPEC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)OCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361761 1202890749 /nfs/dbraw/zinc/89/07/49/1202890749.db2.gz CHORDEQTJQMPEC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)OCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361761 1202890753 /nfs/dbraw/zinc/89/07/53/1202890753.db2.gz CHORDEQTJQMPEC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)OCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361761 1202890754 /nfs/dbraw/zinc/89/07/54/1202890754.db2.gz CHORDEQTJQMPEC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131522292 1202910426 /nfs/dbraw/zinc/91/04/26/1202910426.db2.gz AHWUTLFIFYUHEK-IMJJTQAJSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131609006 1202920602 /nfs/dbraw/zinc/92/06/02/1202920602.db2.gz UKGMVMFKAGMZHS-RYRKJORJSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001086700450 1202974643 /nfs/dbraw/zinc/97/46/43/1202974643.db2.gz ROXPEKBFMCZKRZ-QKPAOTATSA-N 2 1 364.490 0.350 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086716805 1203012183 /nfs/dbraw/zinc/01/21/83/1203012183.db2.gz SABNVRGCFJHLHI-RRFJBIMHSA-N 2 1 357.462 0.964 20 0 FCADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1C ZINC001134121173 1203015110 /nfs/dbraw/zinc/01/51/10/1203015110.db2.gz QPLZJJPCLWYFQT-SJORKVTESA-N 2 1 370.501 0.929 20 0 FCADMP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1C ZINC001134121173 1203015112 /nfs/dbraw/zinc/01/51/12/1203015112.db2.gz QPLZJJPCLWYFQT-SJORKVTESA-N 2 1 370.501 0.929 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)[C@@H](c2ccccc2)C1 ZINC001134126148 1203015693 /nfs/dbraw/zinc/01/56/93/1203015693.db2.gz BAOVYDBMAIGVQB-KSZLIROESA-N 2 1 368.485 0.817 20 0 FCADMP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126613 1203015940 /nfs/dbraw/zinc/01/59/40/1203015940.db2.gz ZXUPQUCIBUDOSF-SJORKVTESA-N 2 1 371.489 0.634 20 0 FCADMP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126613 1203015943 /nfs/dbraw/zinc/01/59/43/1203015943.db2.gz ZXUPQUCIBUDOSF-SJORKVTESA-N 2 1 371.489 0.634 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001086731577 1203052360 /nfs/dbraw/zinc/05/23/60/1203052360.db2.gz RKXNRRZVPCQJJM-HLPPOEQASA-N 2 1 366.462 0.777 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001086731577 1203052363 /nfs/dbraw/zinc/05/23/63/1203052363.db2.gz RKXNRRZVPCQJJM-HLPPOEQASA-N 2 1 366.462 0.777 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086784983 1203092222 /nfs/dbraw/zinc/09/22/22/1203092222.db2.gz DRPXVKWMWSVMHZ-XHSDSOJGSA-N 2 1 364.494 0.299 20 0 FCADMP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1)C(N)=O ZINC001086803660 1203103223 /nfs/dbraw/zinc/10/32/23/1203103223.db2.gz SKUXRMJNOLRJJY-MELADBBJSA-N 2 1 363.462 0.632 20 0 FCADMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817785199 1203117196 /nfs/dbraw/zinc/11/71/96/1203117196.db2.gz IITQXYTVBBRJOV-INIZCTEOSA-N 2 1 370.457 0.745 20 0 FCADMP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819004968 1203147717 /nfs/dbraw/zinc/14/77/17/1203147717.db2.gz VXRLEEVVCCFWJW-PBHICJAKSA-N 2 1 365.474 0.914 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119128 1224777022 /nfs/dbraw/zinc/77/70/22/1224777022.db2.gz AYJYTWBASVMLSO-ZACQAIPSSA-N 2 1 371.522 0.056 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119128 1224777027 /nfs/dbraw/zinc/77/70/27/1224777027.db2.gz AYJYTWBASVMLSO-ZACQAIPSSA-N 2 1 371.522 0.056 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844171686 1203337969 /nfs/dbraw/zinc/33/79/69/1203337969.db2.gz QHQMSRAICVSOSF-GOSISDBHSA-N 2 1 374.485 0.459 20 0 FCADMP O=C(NC1(CCO)COC1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220173320 1224793771 /nfs/dbraw/zinc/79/37/71/1224793771.db2.gz MUWYRKCMIGKEBW-WIYYLYMNSA-N 2 1 373.497 0.756 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001220224698 1224808550 /nfs/dbraw/zinc/80/85/50/1224808550.db2.gz YMRVYSISZRDLPU-JQHSSLGASA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001220224698 1224808553 /nfs/dbraw/zinc/80/85/53/1224808553.db2.gz YMRVYSISZRDLPU-JQHSSLGASA-N 2 1 364.490 0.730 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228253 1224809596 /nfs/dbraw/zinc/80/95/96/1224809596.db2.gz GFEAMKDWLIHPAL-YAJHFMINSA-N 2 1 372.469 0.142 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001220228794 1224810324 /nfs/dbraw/zinc/81/03/24/1224810324.db2.gz YDPORHSTZVCXIA-LPHOPBHVSA-N 3 1 362.474 0.377 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC001220228794 1224810326 /nfs/dbraw/zinc/81/03/26/1224810326.db2.gz YDPORHSTZVCXIA-LPHOPBHVSA-N 2 1 362.474 0.377 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220233822 1224811560 /nfs/dbraw/zinc/81/15/60/1224811560.db2.gz IKOZYFNUEXWUEW-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237931 1224812941 /nfs/dbraw/zinc/81/29/41/1224812941.db2.gz IINOFQGGLZPERQ-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@@H]1O ZINC001220275411 1224819248 /nfs/dbraw/zinc/81/92/48/1224819248.db2.gz XOYPIKOGUHCSGF-MOPGFXCFSA-N 2 1 371.485 0.663 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001220290207 1224821716 /nfs/dbraw/zinc/82/17/16/1224821716.db2.gz RGYLEDSARBMKNH-FGTMMUONSA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001220290207 1224821718 /nfs/dbraw/zinc/82/17/18/1224821718.db2.gz RGYLEDSARBMKNH-FGTMMUONSA-N 2 1 367.465 0.952 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000846143278 1204596246 /nfs/dbraw/zinc/59/62/46/1204596246.db2.gz DDDAPIPZGSNEAQ-ZKXLYKBJSA-N 2 1 366.506 0.778 20 0 FCADMP O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001220357271 1224841418 /nfs/dbraw/zinc/84/14/18/1224841418.db2.gz JISXUBHDDOQQPJ-ULQDDVLXSA-N 2 1 361.442 0.550 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357829 1224842035 /nfs/dbraw/zinc/84/20/35/1224842035.db2.gz RZPIVJIIQITYRW-SJORKVTESA-N 2 1 366.462 0.472 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357829 1224842037 /nfs/dbraw/zinc/84/20/37/1224842037.db2.gz RZPIVJIIQITYRW-SJORKVTESA-N 2 1 366.462 0.472 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CC[NH+](CCO)C3)ccn2)CC[N@H+]1C ZINC001091401442 1204668721 /nfs/dbraw/zinc/66/87/21/1204668721.db2.gz YZSDFGKVUNVUMT-FHLIZLRMSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CC[N@H+](CCO)C3)ccn2)CC[NH+]1C ZINC001091401442 1204668724 /nfs/dbraw/zinc/66/87/24/1204668724.db2.gz YZSDFGKVUNVUMT-FHLIZLRMSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CC[N@@H+](CCO)C3)ccn2)CC[NH+]1C ZINC001091401442 1204668727 /nfs/dbraw/zinc/66/87/27/1204668727.db2.gz YZSDFGKVUNVUMT-FHLIZLRMSA-N 2 1 362.474 0.483 20 0 FCADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673484 /nfs/dbraw/zinc/67/34/84/1204673484.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 1 366.458 0.520 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673486 /nfs/dbraw/zinc/67/34/86/1204673486.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 1 366.458 0.520 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673577 /nfs/dbraw/zinc/67/35/77/1204673577.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 1 370.538 0.926 20 0 FCADMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673581 /nfs/dbraw/zinc/67/35/81/1204673581.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 1 370.538 0.926 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666834 1204812636 /nfs/dbraw/zinc/81/26/36/1204812636.db2.gz HTCWOIZXQFDFEG-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666834 1204812637 /nfs/dbraw/zinc/81/26/37/1204812637.db2.gz HTCWOIZXQFDFEG-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666834 1204812639 /nfs/dbraw/zinc/81/26/39/1204812639.db2.gz HTCWOIZXQFDFEG-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666834 1204812642 /nfs/dbraw/zinc/81/26/42/1204812642.db2.gz HTCWOIZXQFDFEG-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)c3ccc(NC(N)=[NH2+])cc3)cn2)CC1 ZINC001148640741 1204837278 /nfs/dbraw/zinc/83/72/78/1204837278.db2.gz BTUMPUYXOUOZSV-UHFFFAOYSA-N 2 1 354.418 0.786 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091740687 1204837711 /nfs/dbraw/zinc/83/77/11/1204837711.db2.gz CKRJRJWAAXWJRP-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091740687 1204837713 /nfs/dbraw/zinc/83/77/13/1204837713.db2.gz CKRJRJWAAXWJRP-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091740687 1204837715 /nfs/dbraw/zinc/83/77/15/1204837715.db2.gz CKRJRJWAAXWJRP-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001086880171 1204855863 /nfs/dbraw/zinc/85/58/63/1204855863.db2.gz MXTUADIBOUVNEF-LZWOXQAQSA-N 2 1 366.462 0.778 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001086880171 1204855865 /nfs/dbraw/zinc/85/58/65/1204855865.db2.gz MXTUADIBOUVNEF-LZWOXQAQSA-N 2 1 366.462 0.778 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)C1 ZINC001086880202 1204855988 /nfs/dbraw/zinc/85/59/88/1204855988.db2.gz NYOBHGUKGOZFHY-JZXOWHBKSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)C1 ZINC001086880202 1204855991 /nfs/dbraw/zinc/85/59/91/1204855991.db2.gz NYOBHGUKGOZFHY-JZXOWHBKSA-N 2 1 361.490 0.880 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001086874860 1204858734 /nfs/dbraw/zinc/85/87/34/1204858734.db2.gz WCQCYBRJFYKSQG-SOUVJXGZSA-N 2 1 365.478 0.585 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086874860 1204858735 /nfs/dbraw/zinc/85/87/35/1204858735.db2.gz WCQCYBRJFYKSQG-SOUVJXGZSA-N 2 1 365.478 0.585 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001086970975 1204870720 /nfs/dbraw/zinc/87/07/20/1204870720.db2.gz QLQATNOBGLSVCB-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)cn1 ZINC001086972913 1204872391 /nfs/dbraw/zinc/87/23/91/1204872391.db2.gz HCYJUYMQBHZLOP-KSZLIROESA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)cn1 ZINC001086972913 1204872392 /nfs/dbraw/zinc/87/23/92/1204872392.db2.gz HCYJUYMQBHZLOP-KSZLIROESA-N 2 1 361.490 0.435 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cnn(C)c1 ZINC001086984240 1204878984 /nfs/dbraw/zinc/87/89/84/1204878984.db2.gz FYTJKTMOKNEZMU-BZZMCLGOSA-N 2 1 363.506 0.679 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cnn(C)c1 ZINC001086984240 1204878986 /nfs/dbraw/zinc/87/89/86/1204878986.db2.gz FYTJKTMOKNEZMU-BZZMCLGOSA-N 2 1 363.506 0.679 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)O1 ZINC001086984379 1204879174 /nfs/dbraw/zinc/87/91/74/1204879174.db2.gz MQFNHTQASPBGHN-BVPBIZIASA-N 2 1 361.490 0.433 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)O1 ZINC001086984379 1204879176 /nfs/dbraw/zinc/87/91/76/1204879176.db2.gz MQFNHTQASPBGHN-BVPBIZIASA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087000702 1204889509 /nfs/dbraw/zinc/88/95/09/1204889509.db2.gz KZLWUANLZOPKCK-KSZLIROESA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001087009463 1204896968 /nfs/dbraw/zinc/89/69/68/1204896968.db2.gz HNGBQPFXXCYNJY-XOKHGSTOSA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001087009463 1204896969 /nfs/dbraw/zinc/89/69/69/1204896969.db2.gz HNGBQPFXXCYNJY-XOKHGSTOSA-N 2 1 358.446 0.444 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087055534 1204935599 /nfs/dbraw/zinc/93/55/99/1204935599.db2.gz RSVACABKVYLQSD-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087059735 1204944095 /nfs/dbraw/zinc/94/40/95/1204944095.db2.gz SJCWJVLGRDYUSU-NVXWUHKLSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087059788 1204944348 /nfs/dbraw/zinc/94/43/48/1204944348.db2.gz VMDZAUAJIHRZTQ-RHSMWYFYSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087059620 1204944824 /nfs/dbraw/zinc/94/48/24/1204944824.db2.gz MWFUSWGTDWPLME-GDBMZVCRSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087059887 1204945859 /nfs/dbraw/zinc/94/58/59/1204945859.db2.gz ZHGVFGQTHHSUAS-GDBMZVCRSA-N 2 1 364.494 0.551 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087063090 1204949666 /nfs/dbraw/zinc/94/96/66/1204949666.db2.gz IGTCRJLDYHOMKB-BZUAXINKSA-N 2 1 364.494 0.551 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087063397 1204950449 /nfs/dbraw/zinc/95/04/49/1204950449.db2.gz WSUKLNCVTXSLAE-IXDOHACOSA-N 2 1 361.490 0.914 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087063091 1204950771 /nfs/dbraw/zinc/95/07/71/1204950771.db2.gz IGTCRJLDYHOMKB-OWCLPIDISA-N 2 1 364.494 0.551 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087062972 1204950814 /nfs/dbraw/zinc/95/08/14/1204950814.db2.gz CXTCYBFBOWIYIH-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087063068 1204950817 /nfs/dbraw/zinc/95/08/17/1204950817.db2.gz HMHUMCJRAJTGND-HYVNUMGLSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083907 1204972379 /nfs/dbraw/zinc/97/23/79/1204972379.db2.gz XJYLGVGNPYVGET-LZLYRXPVSA-N 2 1 363.506 0.858 20 0 FCADMP Cc1c(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807473 1205020563 /nfs/dbraw/zinc/02/05/63/1205020563.db2.gz FWZLYJOBFPHLAR-KSMMKXTCSA-N 2 1 355.442 0.910 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809659 1205021252 /nfs/dbraw/zinc/02/12/52/1205021252.db2.gz ORKKSNPSSKTMSF-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809659 1205021256 /nfs/dbraw/zinc/02/12/56/1205021256.db2.gz ORKKSNPSSKTMSF-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809659 1205021261 /nfs/dbraw/zinc/02/12/61/1205021261.db2.gz ORKKSNPSSKTMSF-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776757 1205024606 /nfs/dbraw/zinc/02/46/06/1205024606.db2.gz ONQZALYVEXPZHF-GJYPPUQNSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001091819026 1205041383 /nfs/dbraw/zinc/04/13/83/1205041383.db2.gz NHJQMPCSNYCPJX-GJYPPUQNSA-N 2 1 360.502 0.674 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)C1 ZINC001092015429 1205114577 /nfs/dbraw/zinc/11/45/77/1205114577.db2.gz QGKXWOBIPHLJJG-UZLBHIALSA-N 2 1 362.518 0.731 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)C1 ZINC001092015429 1205114581 /nfs/dbraw/zinc/11/45/81/1205114581.db2.gz QGKXWOBIPHLJJG-UZLBHIALSA-N 2 1 362.518 0.731 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)C1 ZINC001092015429 1205114585 /nfs/dbraw/zinc/11/45/85/1205114585.db2.gz QGKXWOBIPHLJJG-UZLBHIALSA-N 2 1 362.518 0.731 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087682 1205138773 /nfs/dbraw/zinc/13/87/73/1205138773.db2.gz KCFHGIWPWFJGIY-SUMDDJOVSA-N 2 1 363.506 0.874 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099285 1205154709 /nfs/dbraw/zinc/15/47/09/1205154709.db2.gz OKBREDJDYCFWPN-MJGOQNOKSA-N 2 1 362.474 0.986 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099285 1205154712 /nfs/dbraw/zinc/15/47/12/1205154712.db2.gz OKBREDJDYCFWPN-MJGOQNOKSA-N 2 1 362.474 0.986 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)o1 ZINC001092099173 1205154939 /nfs/dbraw/zinc/15/49/39/1205154939.db2.gz IOSCLSPNFBHDPG-APWZRJJASA-N 2 1 362.474 0.986 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)o1 ZINC001092099173 1205154940 /nfs/dbraw/zinc/15/49/40/1205154940.db2.gz IOSCLSPNFBHDPG-APWZRJJASA-N 2 1 362.474 0.986 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145230 1205170559 /nfs/dbraw/zinc/17/05/59/1205170559.db2.gz ISMHCAXRDLRUKK-OGWOLHLISA-N 2 1 366.506 0.141 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)nn1 ZINC001092203422 1205197818 /nfs/dbraw/zinc/19/78/18/1205197818.db2.gz PDUOJUSWXHGGHR-QAPCUYQASA-N 2 1 358.490 0.674 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)nn1 ZINC001092203422 1205197824 /nfs/dbraw/zinc/19/78/24/1205197824.db2.gz PDUOJUSWXHGGHR-QAPCUYQASA-N 2 1 358.490 0.674 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092203934 1205198212 /nfs/dbraw/zinc/19/82/12/1205198212.db2.gz OIRVYJHVTOZYFG-NRXGSXMXSA-N 2 1 357.458 0.430 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CC1 ZINC001220444015 1224874567 /nfs/dbraw/zinc/87/45/67/1224874567.db2.gz DXKBYRVSSDDELG-IKGGRYGDSA-N 2 1 364.490 0.983 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CC1 ZINC001220444015 1224874572 /nfs/dbraw/zinc/87/45/72/1224874572.db2.gz DXKBYRVSSDDELG-IKGGRYGDSA-N 2 1 364.490 0.983 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092275164 1205222699 /nfs/dbraw/zinc/22/26/99/1205222699.db2.gz ROIRGCKISYJIQO-MDZRGWNJSA-N 2 1 358.490 0.642 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286790 1205252022 /nfs/dbraw/zinc/25/20/22/1205252022.db2.gz MEQOWDGNSKOSSD-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286790 1205252028 /nfs/dbraw/zinc/25/20/28/1205252028.db2.gz MEQOWDGNSKOSSD-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286790 1205252037 /nfs/dbraw/zinc/25/20/37/1205252037.db2.gz MEQOWDGNSKOSSD-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)C1 ZINC001092286790 1205252042 /nfs/dbraw/zinc/25/20/42/1205252042.db2.gz MEQOWDGNSKOSSD-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092376145 1205276915 /nfs/dbraw/zinc/27/69/15/1205276915.db2.gz RATBUTBJXPVDCC-BZUAXINKSA-N 2 1 361.490 0.974 20 0 FCADMP CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092376145 1205276921 /nfs/dbraw/zinc/27/69/21/1205276921.db2.gz RATBUTBJXPVDCC-BZUAXINKSA-N 2 1 361.490 0.974 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615577 1205329291 /nfs/dbraw/zinc/32/92/91/1205329291.db2.gz IIILPNXNZNJPTH-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615577 1205329294 /nfs/dbraw/zinc/32/92/94/1205329294.db2.gz IIILPNXNZNJPTH-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615900 1205329675 /nfs/dbraw/zinc/32/96/75/1205329675.db2.gz ROBIYXGFUJTHQE-HZPDHXFCSA-N 2 1 371.489 0.733 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615900 1205329677 /nfs/dbraw/zinc/32/96/77/1205329677.db2.gz ROBIYXGFUJTHQE-HZPDHXFCSA-N 2 1 371.489 0.733 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675589 1205336880 /nfs/dbraw/zinc/33/68/80/1205336880.db2.gz JUCRNJWFXHYEMK-FMKPAKJESA-N 2 1 359.474 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675589 1205336883 /nfs/dbraw/zinc/33/68/83/1205336883.db2.gz JUCRNJWFXHYEMK-FMKPAKJESA-N 2 1 359.474 0.723 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774013 1205353878 /nfs/dbraw/zinc/35/38/78/1205353878.db2.gz FLNLJBCAOICLNV-QLFBSQMISA-N 2 1 361.494 0.584 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774013 1205353881 /nfs/dbraw/zinc/35/38/81/1205353881.db2.gz FLNLJBCAOICLNV-QLFBSQMISA-N 2 1 361.494 0.584 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911456 1205940719 /nfs/dbraw/zinc/94/07/19/1205940719.db2.gz RUBCURJWNAJLGM-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911456 1205940724 /nfs/dbraw/zinc/94/07/24/1205940724.db2.gz RUBCURJWNAJLGM-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911456 1205940730 /nfs/dbraw/zinc/94/07/30/1205940730.db2.gz RUBCURJWNAJLGM-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911537 1205941177 /nfs/dbraw/zinc/94/11/77/1205941177.db2.gz SUOXYSNLFXLJAR-NXHRZFHOSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911537 1205941180 /nfs/dbraw/zinc/94/11/80/1205941180.db2.gz SUOXYSNLFXLJAR-NXHRZFHOSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911537 1205941183 /nfs/dbraw/zinc/94/11/83/1205941183.db2.gz SUOXYSNLFXLJAR-NXHRZFHOSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935439 1205962260 /nfs/dbraw/zinc/96/22/60/1205962260.db2.gz YFSCQWJBZOQILC-NXHRZFHOSA-N 2 1 363.506 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134038 1206032325 /nfs/dbraw/zinc/03/23/25/1206032325.db2.gz UHUYFBWQCDVMPM-IXDOHACOSA-N 2 1 362.518 0.683 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209010 1206056570 /nfs/dbraw/zinc/05/65/70/1206056570.db2.gz OCRQPGKTQADRLR-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209010 1206056574 /nfs/dbraw/zinc/05/65/74/1206056574.db2.gz OCRQPGKTQADRLR-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209010 1206056579 /nfs/dbraw/zinc/05/65/79/1206056579.db2.gz OCRQPGKTQADRLR-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209010 1206056582 /nfs/dbraw/zinc/05/65/82/1206056582.db2.gz OCRQPGKTQADRLR-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208798 1206056839 /nfs/dbraw/zinc/05/68/39/1206056839.db2.gz GVAWNZRCNGSWCD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208798 1206056841 /nfs/dbraw/zinc/05/68/41/1206056841.db2.gz GVAWNZRCNGSWCD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208798 1206056845 /nfs/dbraw/zinc/05/68/45/1206056845.db2.gz GVAWNZRCNGSWCD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208798 1206056850 /nfs/dbraw/zinc/05/68/50/1206056850.db2.gz GVAWNZRCNGSWCD-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3[NH+](CCO)CC34CCC4)CC2)O1 ZINC001093373515 1206076936 /nfs/dbraw/zinc/07/69/36/1206076936.db2.gz OAEMLQQEMKFDRY-KBAYOESNSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3[NH+](CCO)CC34CCC4)CC2)O1 ZINC001093373515 1206076941 /nfs/dbraw/zinc/07/69/41/1206076941.db2.gz OAEMLQQEMKFDRY-KBAYOESNSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3[N@H+](CCO)CC34CCC4)CC2)O1 ZINC001093373515 1206076944 /nfs/dbraw/zinc/07/69/44/1206076944.db2.gz OAEMLQQEMKFDRY-KBAYOESNSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3[N@@H+](CCO)CC34CCC4)CC2)O1 ZINC001093373515 1206076947 /nfs/dbraw/zinc/07/69/47/1206076947.db2.gz OAEMLQQEMKFDRY-KBAYOESNSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093822145 1206124237 /nfs/dbraw/zinc/12/42/37/1206124237.db2.gz LNDVULSCPANRNT-RBSFLKMASA-N 2 1 357.462 0.773 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001093857639 1206135297 /nfs/dbraw/zinc/13/52/97/1206135297.db2.gz PKVZFNUMAZXELE-IXYNUQLISA-N 2 1 366.462 0.586 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001093857639 1206135302 /nfs/dbraw/zinc/13/53/02/1206135302.db2.gz PKVZFNUMAZXELE-IXYNUQLISA-N 2 1 366.462 0.586 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857616 1206135360 /nfs/dbraw/zinc/13/53/60/1206135360.db2.gz OBSBHRUULTXKKV-KLHDSHLOSA-N 2 1 364.494 0.201 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857616 1206135361 /nfs/dbraw/zinc/13/53/61/1206135361.db2.gz OBSBHRUULTXKKV-KLHDSHLOSA-N 2 1 364.494 0.201 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1C ZINC001093857486 1206135374 /nfs/dbraw/zinc/13/53/74/1206135374.db2.gz HQOMOGHXTHEXME-GFOCRRMGSA-N 2 1 363.506 0.632 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1C ZINC001093857486 1206135375 /nfs/dbraw/zinc/13/53/75/1206135375.db2.gz HQOMOGHXTHEXME-GFOCRRMGSA-N 2 1 363.506 0.632 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093992351 1206165565 /nfs/dbraw/zinc/16/55/65/1206165565.db2.gz PGRURBUCEIFGJF-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093992351 1206165566 /nfs/dbraw/zinc/16/55/66/1206165566.db2.gz PGRURBUCEIFGJF-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)CC2 ZINC001093996618 1206166671 /nfs/dbraw/zinc/16/66/71/1206166671.db2.gz LVEPEVQEKJUCAG-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001094080587 1206181348 /nfs/dbraw/zinc/18/13/48/1206181348.db2.gz IVOLVLRYTICJHZ-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)ncn1 ZINC001094110604 1206185762 /nfs/dbraw/zinc/18/57/62/1206185762.db2.gz IFLGISHSUQITJA-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094219873 1206203010 /nfs/dbraw/zinc/20/30/10/1206203010.db2.gz VDSSPTCCPHKIGP-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)no1 ZINC001094219483 1206203342 /nfs/dbraw/zinc/20/33/42/1206203342.db2.gz MIKICGSKHORRMB-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)no1 ZINC001094219483 1206203345 /nfs/dbraw/zinc/20/33/45/1206203345.db2.gz MIKICGSKHORRMB-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)C1 ZINC001094234069 1206209078 /nfs/dbraw/zinc/20/90/78/1206209078.db2.gz IWJUTIJJALOTGQ-ZACQAIPSSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)C1 ZINC001094234069 1206209080 /nfs/dbraw/zinc/20/90/80/1206209080.db2.gz IWJUTIJJALOTGQ-ZACQAIPSSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094237932 1206209350 /nfs/dbraw/zinc/20/93/50/1206209350.db2.gz RLQILQBDKMYDDJ-RHSMWYFYSA-N 2 1 371.489 0.770 20 0 FCADMP CC[C@@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1)OC ZINC001094293513 1206215425 /nfs/dbraw/zinc/21/54/25/1206215425.db2.gz QSODJDKAYLETTL-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1)OC ZINC001094293513 1206215428 /nfs/dbraw/zinc/21/54/28/1206215428.db2.gz QSODJDKAYLETTL-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157718 1206225265 /nfs/dbraw/zinc/22/52/65/1206225265.db2.gz XRXDUKKCGIWLLO-NCOADZHNSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157718 1206225268 /nfs/dbraw/zinc/22/52/68/1206225268.db2.gz XRXDUKKCGIWLLO-NCOADZHNSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110157718 1206225273 /nfs/dbraw/zinc/22/52/73/1206225273.db2.gz XRXDUKKCGIWLLO-NCOADZHNSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110157718 1206225277 /nfs/dbraw/zinc/22/52/77/1206225277.db2.gz XRXDUKKCGIWLLO-NCOADZHNSA-N 2 1 368.522 0.589 20 0 FCADMP Cn1cnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560017 1206238388 /nfs/dbraw/zinc/23/83/88/1206238388.db2.gz KHCQIEXFWLQGEY-CRAIPNDOSA-N 2 1 358.490 0.772 20 0 FCADMP Cn1cnnc1C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560017 1206238390 /nfs/dbraw/zinc/23/83/90/1206238390.db2.gz KHCQIEXFWLQGEY-CRAIPNDOSA-N 2 1 358.490 0.772 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1=O ZINC001172040221 1206256381 /nfs/dbraw/zinc/25/63/81/1206256381.db2.gz NRTVEWQDLOGZDZ-ZDUSSCGKSA-N 2 1 363.462 0.335 20 0 FCADMP CCN1CC[C@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1=O ZINC001172040221 1206256387 /nfs/dbraw/zinc/25/63/87/1206256387.db2.gz NRTVEWQDLOGZDZ-ZDUSSCGKSA-N 2 1 363.462 0.335 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132732 1206256777 /nfs/dbraw/zinc/25/67/77/1206256777.db2.gz NOHNROJBUAOISN-VSZNYVQBSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132732 1206256781 /nfs/dbraw/zinc/25/67/81/1206256781.db2.gz NOHNROJBUAOISN-VSZNYVQBSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132732 1206256785 /nfs/dbraw/zinc/25/67/85/1206256785.db2.gz NOHNROJBUAOISN-VSZNYVQBSA-N 2 1 362.518 0.870 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001172111145 1206257877 /nfs/dbraw/zinc/25/78/77/1206257877.db2.gz SMOSTLWAQUGXJW-DFGXFYAUSA-N 2 1 374.485 0.510 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001172111145 1206257880 /nfs/dbraw/zinc/25/78/80/1206257880.db2.gz SMOSTLWAQUGXJW-DFGXFYAUSA-N 2 1 374.485 0.510 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001172118865 1206258162 /nfs/dbraw/zinc/25/81/62/1206258162.db2.gz TYIKTYMCUWQQSR-REPLKXPHSA-N 3 1 373.538 0.616 20 0 FCADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001172118865 1206258163 /nfs/dbraw/zinc/25/81/63/1206258163.db2.gz TYIKTYMCUWQQSR-REPLKXPHSA-N 2 1 373.538 0.616 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169138 1206258469 /nfs/dbraw/zinc/25/84/69/1206258469.db2.gz DLSTWLXFEKGDEO-ZWKOTPCHSA-N 2 1 372.513 0.964 20 0 FCADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760856 1206288698 /nfs/dbraw/zinc/28/86/98/1206288698.db2.gz KJDYDIUISCUSGU-FPSMNIFISA-N 2 1 371.493 0.843 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760856 1206288702 /nfs/dbraw/zinc/28/87/02/1206288702.db2.gz KJDYDIUISCUSGU-FPSMNIFISA-N 2 1 371.493 0.843 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760856 1206288706 /nfs/dbraw/zinc/28/87/06/1206288706.db2.gz KJDYDIUISCUSGU-FPSMNIFISA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760856 1206288708 /nfs/dbraw/zinc/28/87/08/1206288708.db2.gz KJDYDIUISCUSGU-FPSMNIFISA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760856 1206288711 /nfs/dbraw/zinc/28/87/11/1206288711.db2.gz KJDYDIUISCUSGU-FPSMNIFISA-N 2 1 371.493 0.843 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175211233 1206301574 /nfs/dbraw/zinc/30/15/74/1206301574.db2.gz LHQOSZLEYZJSGF-BBWFWOEESA-N 2 1 358.490 0.397 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001175211233 1206301577 /nfs/dbraw/zinc/30/15/77/1206301577.db2.gz LHQOSZLEYZJSGF-BBWFWOEESA-N 2 1 358.490 0.397 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001175211233 1206301580 /nfs/dbraw/zinc/30/15/80/1206301580.db2.gz LHQOSZLEYZJSGF-BBWFWOEESA-N 2 1 358.490 0.397 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3ccon3)[C@@H]2C)CC[N@H+]1C ZINC001178736298 1206363896 /nfs/dbraw/zinc/36/38/96/1206363896.db2.gz TZQRDKUFQDKSLW-ZQDZILKHSA-N 2 1 363.462 0.922 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CCC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178981716 1206368290 /nfs/dbraw/zinc/36/82/90/1206368290.db2.gz CNAPVFIJOWPWDK-YQFWSFKMSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CCC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178981716 1206368293 /nfs/dbraw/zinc/36/82/93/1206368293.db2.gz CNAPVFIJOWPWDK-YQFWSFKMSA-N 2 1 366.506 0.201 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)cc1 ZINC001220583556 1224950374 /nfs/dbraw/zinc/95/03/74/1224950374.db2.gz ZTBFMUNCESZOSQ-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)cc1 ZINC001220583556 1224950383 /nfs/dbraw/zinc/95/03/83/1224950383.db2.gz ZTBFMUNCESZOSQ-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnn(C)c1 ZINC001181874784 1206416721 /nfs/dbraw/zinc/41/67/21/1206416721.db2.gz QUHUEOKTAQYFCV-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnn(C)c1 ZINC001181874784 1206416728 /nfs/dbraw/zinc/41/67/28/1206416728.db2.gz QUHUEOKTAQYFCV-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1([NH+](C)C)CC1)CCC2 ZINC001182596983 1206439342 /nfs/dbraw/zinc/43/93/42/1206439342.db2.gz MSJDAHPEFGXMLP-UHFFFAOYSA-N 2 1 361.490 0.910 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693001 1206442421 /nfs/dbraw/zinc/44/24/21/1206442421.db2.gz QOXDSULJDRVWQF-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183669460 1206458050 /nfs/dbraw/zinc/45/80/50/1206458050.db2.gz HYHWMINNCJOQEX-QGZVFWFLSA-N 2 1 374.485 0.906 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000774886841 1206481453 /nfs/dbraw/zinc/48/14/53/1206481453.db2.gz BEKDRLNEHGRTNV-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273510400 1206487426 /nfs/dbraw/zinc/48/74/26/1206487426.db2.gz GCXHQAHMHQLOMR-OWSLCNJRSA-N 2 1 360.502 0.624 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)C1 ZINC001186107444 1206493381 /nfs/dbraw/zinc/49/33/81/1206493381.db2.gz SVWJUBNHAGQWTN-OKZBNKHCSA-N 2 1 372.469 0.752 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C ZINC001110385959 1206510594 /nfs/dbraw/zinc/51/05/94/1206510594.db2.gz BYFJLASOUUQRKG-WCVJEAGWSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856881 1207395651 /nfs/dbraw/zinc/39/56/51/1207395651.db2.gz DYYLBTUAHNRPJU-OKZBNKHCSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856881 1207395655 /nfs/dbraw/zinc/39/56/55/1207395655.db2.gz DYYLBTUAHNRPJU-OKZBNKHCSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856881 1207395657 /nfs/dbraw/zinc/39/56/57/1207395657.db2.gz DYYLBTUAHNRPJU-OKZBNKHCSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856881 1207395660 /nfs/dbraw/zinc/39/56/60/1207395660.db2.gz DYYLBTUAHNRPJU-OKZBNKHCSA-N 2 1 362.518 0.918 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405127 1207454163 /nfs/dbraw/zinc/45/41/63/1207454163.db2.gz AAZIUMYBLOUGAI-CGTJXYLNSA-N 2 1 362.474 0.448 20 0 FCADMP Cc1c(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)ccc2c[nH+]cn21 ZINC001188405659 1207454888 /nfs/dbraw/zinc/45/48/88/1207454888.db2.gz MJFUYNMKFUWBKG-MAUKXSAKSA-N 2 1 358.442 0.798 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970832 1207493018 /nfs/dbraw/zinc/49/30/18/1207493018.db2.gz MYOIASSDWQCGBG-JKSUJKDBSA-N 2 1 365.522 0.569 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018644 1207496079 /nfs/dbraw/zinc/49/60/79/1207496079.db2.gz SXMFCOUXCXKKIN-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018644 1207496091 /nfs/dbraw/zinc/49/60/91/1207496091.db2.gz SXMFCOUXCXKKIN-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126643 1207509467 /nfs/dbraw/zinc/50/94/67/1207509467.db2.gz JCGDWNWVBBWVJV-BPQIPLTHSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126643 1207509468 /nfs/dbraw/zinc/50/94/68/1207509468.db2.gz JCGDWNWVBBWVJV-BPQIPLTHSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126643 1207509469 /nfs/dbraw/zinc/50/94/69/1207509469.db2.gz JCGDWNWVBBWVJV-BPQIPLTHSA-N 2 1 366.506 0.014 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCN3CCOCC3)[C@@H]2C1 ZINC001189426550 1207547927 /nfs/dbraw/zinc/54/79/27/1207547927.db2.gz YVBRUAWNWWGCRC-RCCFBDPRSA-N 2 1 369.506 0.029 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426550 1207547931 /nfs/dbraw/zinc/54/79/31/1207547931.db2.gz YVBRUAWNWWGCRC-RCCFBDPRSA-N 2 1 369.506 0.029 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426550 1207547939 /nfs/dbraw/zinc/54/79/39/1207547939.db2.gz YVBRUAWNWWGCRC-RCCFBDPRSA-N 2 1 369.506 0.029 20 0 FCADMP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810773 1207603671 /nfs/dbraw/zinc/60/36/71/1207603671.db2.gz GRUQABRJGHWWNM-SOLBZPMBSA-N 2 1 361.490 0.957 20 0 FCADMP Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810773 1207603674 /nfs/dbraw/zinc/60/36/74/1207603674.db2.gz GRUQABRJGHWWNM-SOLBZPMBSA-N 2 1 361.490 0.957 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820142 1207606314 /nfs/dbraw/zinc/60/63/14/1207606314.db2.gz RNOSXXPYSDIACK-YESZJQIVSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801967 1207610899 /nfs/dbraw/zinc/61/08/99/1207610899.db2.gz PBAXGDZOIKRLJH-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801967 1207610901 /nfs/dbraw/zinc/61/09/01/1207610901.db2.gz PBAXGDZOIKRLJH-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001189913440 1207620117 /nfs/dbraw/zinc/62/01/17/1207620117.db2.gz QXERJLHLHJOWDF-ZWKOTPCHSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189913440 1207620120 /nfs/dbraw/zinc/62/01/20/1207620120.db2.gz QXERJLHLHJOWDF-ZWKOTPCHSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001189891112 1207623770 /nfs/dbraw/zinc/62/37/70/1207623770.db2.gz OSKLVKHGHVERRZ-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001189891112 1207623775 /nfs/dbraw/zinc/62/37/75/1207623775.db2.gz OSKLVKHGHVERRZ-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189891112 1207623780 /nfs/dbraw/zinc/62/37/80/1207623780.db2.gz OSKLVKHGHVERRZ-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189891112 1207623784 /nfs/dbraw/zinc/62/37/84/1207623784.db2.gz OSKLVKHGHVERRZ-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899132 1207624082 /nfs/dbraw/zinc/62/40/82/1207624082.db2.gz YZSCPYADCCVZOM-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899132 1207624089 /nfs/dbraw/zinc/62/40/89/1207624089.db2.gz YZSCPYADCCVZOM-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899132 1207624094 /nfs/dbraw/zinc/62/40/94/1207624094.db2.gz YZSCPYADCCVZOM-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899132 1207624098 /nfs/dbraw/zinc/62/40/98/1207624098.db2.gz YZSCPYADCCVZOM-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001190177859 1207657651 /nfs/dbraw/zinc/65/76/51/1207657651.db2.gz PDRVPNLSKNVREK-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001190177859 1207657657 /nfs/dbraw/zinc/65/76/57/1207657657.db2.gz PDRVPNLSKNVREK-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351417 1207679093 /nfs/dbraw/zinc/67/90/93/1207679093.db2.gz YRFPREUQLIWYTK-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351417 1207679095 /nfs/dbraw/zinc/67/90/95/1207679095.db2.gz YRFPREUQLIWYTK-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351417 1207679097 /nfs/dbraw/zinc/67/90/97/1207679097.db2.gz YRFPREUQLIWYTK-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351417 1207679100 /nfs/dbraw/zinc/67/91/00/1207679100.db2.gz YRFPREUQLIWYTK-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688829 1225014945 /nfs/dbraw/zinc/01/49/45/1225014945.db2.gz RBKWLGFUUJOVCH-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688829 1225014953 /nfs/dbraw/zinc/01/49/53/1225014953.db2.gz RBKWLGFUUJOVCH-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688829 1225014962 /nfs/dbraw/zinc/01/49/62/1225014962.db2.gz RBKWLGFUUJOVCH-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737649 1207886562 /nfs/dbraw/zinc/88/65/62/1207886562.db2.gz DNBZFSUGCMJPBV-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193737649 1207886565 /nfs/dbraw/zinc/88/65/65/1207886565.db2.gz DNBZFSUGCMJPBV-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193737649 1207886567 /nfs/dbraw/zinc/88/65/67/1207886567.db2.gz DNBZFSUGCMJPBV-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)CCC1 ZINC001193774875 1207888507 /nfs/dbraw/zinc/88/85/07/1207888507.db2.gz WVAUIIMYBLLHHO-IAGOWNOFSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)CCC1 ZINC001193774875 1207888508 /nfs/dbraw/zinc/88/85/08/1207888508.db2.gz WVAUIIMYBLLHHO-IAGOWNOFSA-N 2 1 365.449 0.850 20 0 FCADMP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1F ZINC001193791600 1207889372 /nfs/dbraw/zinc/88/93/72/1207889372.db2.gz MKQZMVXUKPROJB-IAGOWNOFSA-N 2 1 365.449 0.980 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001193756522 1207890530 /nfs/dbraw/zinc/89/05/30/1207890530.db2.gz SNJIIDCVCPEFTK-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001193756522 1207890531 /nfs/dbraw/zinc/89/05/31/1207890531.db2.gz SNJIIDCVCPEFTK-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001193756522 1207890532 /nfs/dbraw/zinc/89/05/32/1207890532.db2.gz SNJIIDCVCPEFTK-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001193756522 1207890535 /nfs/dbraw/zinc/89/05/35/1207890535.db2.gz SNJIIDCVCPEFTK-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1n[nH]c2c1CN(C(=O)C[N@H+](C)CC)C2 ZINC001273667039 1207897103 /nfs/dbraw/zinc/89/71/03/1207897103.db2.gz ZZFUIIYSJJYUJW-UHFFFAOYSA-N 2 1 364.494 0.617 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1CN(C(=O)C[N@@H+](C)CC)C2 ZINC001273667039 1207897108 /nfs/dbraw/zinc/89/71/08/1207897108.db2.gz ZZFUIIYSJJYUJW-UHFFFAOYSA-N 2 1 364.494 0.617 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1CN(C(=O)C[N@H+](C)CC)C2 ZINC001273667039 1207897109 /nfs/dbraw/zinc/89/71/09/1207897109.db2.gz ZZFUIIYSJJYUJW-UHFFFAOYSA-N 2 1 364.494 0.617 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[NH+](C)C ZINC001193953152 1207900464 /nfs/dbraw/zinc/90/04/64/1207900464.db2.gz GLNCOLRTAOBGOE-QRVBRYPASA-N 2 1 361.486 0.964 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[NH+](C)C ZINC001193953152 1207900470 /nfs/dbraw/zinc/90/04/70/1207900470.db2.gz GLNCOLRTAOBGOE-QRVBRYPASA-N 2 1 361.486 0.964 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724975 1225035961 /nfs/dbraw/zinc/03/59/61/1225035961.db2.gz KJEKUBMGDIHJOR-HKUYNNGSSA-N 2 1 372.513 0.545 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724975 1225035968 /nfs/dbraw/zinc/03/59/68/1225035968.db2.gz KJEKUBMGDIHJOR-HKUYNNGSSA-N 2 1 372.513 0.545 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001195708701 1208036569 /nfs/dbraw/zinc/03/65/69/1208036569.db2.gz RZWVVHAQOAQFIZ-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001195708701 1208036570 /nfs/dbraw/zinc/03/65/70/1208036570.db2.gz RZWVVHAQOAQFIZ-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001195869998 1208044946 /nfs/dbraw/zinc/04/49/46/1208044946.db2.gz GTSYHVCKEUURFW-QZTJIDSGSA-N 2 1 357.458 0.485 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220726442 1225038659 /nfs/dbraw/zinc/03/86/59/1225038659.db2.gz XRYZUYBUIJREDY-SQNIBIBYSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220726442 1225038666 /nfs/dbraw/zinc/03/86/66/1225038666.db2.gz XRYZUYBUIJREDY-SQNIBIBYSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001220726442 1225038671 /nfs/dbraw/zinc/03/86/71/1225038671.db2.gz XRYZUYBUIJREDY-SQNIBIBYSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001220726442 1225038672 /nfs/dbraw/zinc/03/86/72/1225038672.db2.gz XRYZUYBUIJREDY-SQNIBIBYSA-N 2 1 371.522 0.465 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184893 1208064741 /nfs/dbraw/zinc/06/47/41/1208064741.db2.gz JWYLUNYRHVYLQQ-RTBURBONSA-N 2 1 363.502 0.992 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196207160 1208066275 /nfs/dbraw/zinc/06/62/75/1208066275.db2.gz LGZVULHKUYDDAN-KZNAEPCWSA-N 2 1 363.502 0.859 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196207160 1208066279 /nfs/dbraw/zinc/06/62/79/1208066279.db2.gz LGZVULHKUYDDAN-KZNAEPCWSA-N 2 1 363.502 0.859 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)CC(C)(C)C ZINC001196207160 1208066283 /nfs/dbraw/zinc/06/62/83/1208066283.db2.gz LGZVULHKUYDDAN-KZNAEPCWSA-N 2 1 363.502 0.859 20 0 FCADMP CN(CCc1ccccc1)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O ZINC001196222373 1208067693 /nfs/dbraw/zinc/06/76/93/1208067693.db2.gz MDJSDRANPZZGCY-RTBURBONSA-N 2 1 371.485 0.256 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@H]1O)[NH+](C)C ZINC001196251250 1208069191 /nfs/dbraw/zinc/06/91/91/1208069191.db2.gz GQFFBLSMFDCPDI-FGTMMUONSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@H]1O)[NH+](C)C ZINC001196251250 1208069195 /nfs/dbraw/zinc/06/91/95/1208069195.db2.gz GQFFBLSMFDCPDI-FGTMMUONSA-N 2 1 365.474 0.576 20 0 FCADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196298897 1208073140 /nfs/dbraw/zinc/07/31/40/1208073140.db2.gz FDYJVSYNXFBDGB-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196298897 1208073143 /nfs/dbraw/zinc/07/31/43/1208073143.db2.gz FDYJVSYNXFBDGB-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196298897 1208073144 /nfs/dbraw/zinc/07/31/44/1208073144.db2.gz FDYJVSYNXFBDGB-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)C(C)C ZINC001197018154 1208132293 /nfs/dbraw/zinc/13/22/93/1208132293.db2.gz NTZSDUFBXMCOLC-KZNAEPCWSA-N 2 1 365.522 0.490 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CC1 ZINC001197320360 1208153427 /nfs/dbraw/zinc/15/34/27/1208153427.db2.gz YDQLIGCLHCOSJP-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1O ZINC001197825800 1208201753 /nfs/dbraw/zinc/20/17/53/1208201753.db2.gz ILBIOVDSUQNZAI-QZTJIDSGSA-N 2 1 367.465 0.498 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)c1ccccc1 ZINC001197826214 1208201800 /nfs/dbraw/zinc/20/18/00/1208201800.db2.gz QZKDDIVIMGHWSG-KURKYZTESA-N 2 1 365.474 0.114 20 0 FCADMP Cc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826061 1208202066 /nfs/dbraw/zinc/20/20/66/1208202066.db2.gz OOLISNKVIAFLPF-RTBURBONSA-N 2 1 363.502 0.667 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197954968 1208209316 /nfs/dbraw/zinc/20/93/16/1208209316.db2.gz ITCVKVVCWYVCSR-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197954968 1208209317 /nfs/dbraw/zinc/20/93/17/1208209317.db2.gz ITCVKVVCWYVCSR-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001198150972 1208224710 /nfs/dbraw/zinc/22/47/10/1208224710.db2.gz LDHACTIIJHBAGK-KRWDZBQOSA-N 2 1 373.501 0.770 20 0 FCADMP CN1CCN(c2cnccc2C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001198158787 1208225095 /nfs/dbraw/zinc/22/50/95/1208225095.db2.gz KLENLMPBTMLKPV-UHFFFAOYSA-N 2 1 360.506 0.201 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001198158787 1208225099 /nfs/dbraw/zinc/22/50/99/1208225099.db2.gz KLENLMPBTMLKPV-UHFFFAOYSA-N 2 1 360.506 0.201 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001198158787 1208225102 /nfs/dbraw/zinc/22/51/02/1208225102.db2.gz KLENLMPBTMLKPV-UHFFFAOYSA-N 2 1 360.506 0.201 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699353 1208279364 /nfs/dbraw/zinc/27/93/64/1208279364.db2.gz OFTOYBQRMIWKKK-QXAKKESOSA-N 2 1 361.486 0.625 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001199003846 1208311584 /nfs/dbraw/zinc/31/15/84/1208311584.db2.gz CZEMKPSNSJFVBB-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001199003846 1208311587 /nfs/dbraw/zinc/31/15/87/1208311587.db2.gz CZEMKPSNSJFVBB-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095027 1208317141 /nfs/dbraw/zinc/31/71/41/1208317141.db2.gz CUMNMDHXUKLAGE-BRWVUGGUSA-N 2 1 368.522 0.135 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111895 1208321661 /nfs/dbraw/zinc/32/16/61/1208321661.db2.gz RCHHXZVZSYOVOB-GUDVDZBRSA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@H](Cc1ccccc1)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111895 1208321664 /nfs/dbraw/zinc/32/16/64/1208321664.db2.gz RCHHXZVZSYOVOB-GUDVDZBRSA-N 2 1 363.502 0.746 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199369974 1208343892 /nfs/dbraw/zinc/34/38/92/1208343892.db2.gz FWVRMJMOVQTOJG-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199369974 1208343895 /nfs/dbraw/zinc/34/38/95/1208343895.db2.gz FWVRMJMOVQTOJG-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385355 1208345190 /nfs/dbraw/zinc/34/51/90/1208345190.db2.gz SWRSOSQAKGQMPK-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385355 1208345194 /nfs/dbraw/zinc/34/51/94/1208345194.db2.gz SWRSOSQAKGQMPK-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385355 1208345198 /nfs/dbraw/zinc/34/51/98/1208345198.db2.gz SWRSOSQAKGQMPK-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385355 1208345202 /nfs/dbraw/zinc/34/52/02/1208345202.db2.gz SWRSOSQAKGQMPK-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384830 1208345674 /nfs/dbraw/zinc/34/56/74/1208345674.db2.gz OXMDLGUHZMAVAF-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384830 1208345677 /nfs/dbraw/zinc/34/56/77/1208345677.db2.gz OXMDLGUHZMAVAF-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384830 1208345679 /nfs/dbraw/zinc/34/56/79/1208345679.db2.gz OXMDLGUHZMAVAF-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384830 1208345682 /nfs/dbraw/zinc/34/56/82/1208345682.db2.gz OXMDLGUHZMAVAF-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP CCn1cc(CCN2C[C@@H](O)[C@H](NC(=O)CCCn3ccnc3)C2)cn1 ZINC001199398512 1208349203 /nfs/dbraw/zinc/34/92/03/1208349203.db2.gz SXXVIUGQZOTVBS-IAGOWNOFSA-N 2 1 360.462 0.284 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)c1ccccc1 ZINC001220768555 1225062524 /nfs/dbraw/zinc/06/25/24/1225062524.db2.gz QZKDDIVIMGHWSG-FGTMMUONSA-N 2 1 365.474 0.114 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)CC1 ZINC001273848636 1208431457 /nfs/dbraw/zinc/43/14/57/1208431457.db2.gz RVHFAJJXDMZTHP-MOPGFXCFSA-N 2 1 364.534 0.867 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)CC1 ZINC001273848636 1208431459 /nfs/dbraw/zinc/43/14/59/1208431459.db2.gz RVHFAJJXDMZTHP-MOPGFXCFSA-N 2 1 364.534 0.867 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001273848638 1208431480 /nfs/dbraw/zinc/43/14/80/1208431480.db2.gz RVHFAJJXDMZTHP-OALUTQOASA-N 2 1 364.534 0.867 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001273848638 1208431484 /nfs/dbraw/zinc/43/14/84/1208431484.db2.gz RVHFAJJXDMZTHP-OALUTQOASA-N 2 1 364.534 0.867 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCCC3)CC2)O1 ZINC001201229380 1208449412 /nfs/dbraw/zinc/44/94/12/1208449412.db2.gz BHRHLUBSQXFNFJ-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCCC3)CC2)O1 ZINC001201229380 1208449414 /nfs/dbraw/zinc/44/94/14/1208449414.db2.gz BHRHLUBSQXFNFJ-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574428 1208479281 /nfs/dbraw/zinc/47/92/81/1208479281.db2.gz MZGZUURWSDSGOF-AHCXZYCDSA-N 2 1 363.506 0.941 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)C1=O ZINC001489202619 1208664304 /nfs/dbraw/zinc/66/43/04/1208664304.db2.gz LTTMRVBBEABSGI-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001489206130 1208670051 /nfs/dbraw/zinc/67/00/51/1208670051.db2.gz OWJFTIKIJKVQSI-CEXWTWQISA-N 2 1 367.534 0.894 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001490046582 1209226352 /nfs/dbraw/zinc/22/63/52/1209226352.db2.gz KAKGFTCRVMUTJW-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CN(C)c1cccc(CN2C[C@@H](NC(=O)CCc3cncn3C)[C@@H](O)C2)c1 ZINC001220882117 1225121075 /nfs/dbraw/zinc/12/10/75/1225121075.db2.gz MZBGLBYQYPFYPO-MOPGFXCFSA-N 2 1 371.485 0.780 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000852921350 1209577279 /nfs/dbraw/zinc/57/72/79/1209577279.db2.gz HURCRMITEROMHQ-MOPGFXCFSA-N 2 1 372.513 0.959 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001110662320 1209587505 /nfs/dbraw/zinc/58/75/05/1209587505.db2.gz LHNHCODTVOAJAB-VXIBKDFQSA-N 2 1 358.486 0.947 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673625 1209607623 /nfs/dbraw/zinc/60/76/23/1209607623.db2.gz KAYYTQHYVMHGGX-XDNAFOTISA-N 2 1 369.506 0.216 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673823 1209607778 /nfs/dbraw/zinc/60/77/78/1209607778.db2.gz UAUFORJAWYOKIT-KURKYZTESA-N 2 1 366.506 0.345 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000857102359 1209741629 /nfs/dbraw/zinc/74/16/29/1209741629.db2.gz NXSFHOWUIQZUHO-DNVCBOLYSA-N 2 1 368.441 0.532 20 0 FCADMP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000858192583 1209779759 /nfs/dbraw/zinc/77/97/59/1209779759.db2.gz NLDUPHWKYYQKCU-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746952 1209792120 /nfs/dbraw/zinc/79/21/20/1209792120.db2.gz HWUYMQHRZUMYMQ-VQHPVUNQSA-N 2 1 359.474 0.893 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746952 1209792121 /nfs/dbraw/zinc/79/21/21/1209792121.db2.gz HWUYMQHRZUMYMQ-VQHPVUNQSA-N 2 1 359.474 0.893 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1cc[nH+]cc1 ZINC001110747594 1209792825 /nfs/dbraw/zinc/79/28/25/1209792825.db2.gz VAOFYTYRZCQADS-KURKYZTESA-N 2 1 369.473 0.921 20 0 FCADMP COc1ccccc1Cn1cncc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220969245 1225165052 /nfs/dbraw/zinc/16/50/52/1225165052.db2.gz ULIAMCGPUVVBMW-UHFFFAOYSA-N 2 1 357.458 0.898 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000861745480 1209879182 /nfs/dbraw/zinc/87/91/82/1209879182.db2.gz MKDOGDDMYTXPSG-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821675 1209914000 /nfs/dbraw/zinc/91/40/00/1209914000.db2.gz FUIXZEADGHEGCA-SZXPJGKVSA-N 2 1 362.474 0.491 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821675 1209914002 /nfs/dbraw/zinc/91/40/02/1209914002.db2.gz FUIXZEADGHEGCA-SZXPJGKVSA-N 2 1 362.474 0.491 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC001220981123 1225171967 /nfs/dbraw/zinc/17/19/67/1225171967.db2.gz LOELIFLSKDVSLY-QRQLOZEOSA-N 2 1 361.486 0.359 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(F)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000865894328 1209987377 /nfs/dbraw/zinc/98/73/77/1209987377.db2.gz KORUWSRYZSFXGN-HZPDHXFCSA-N 2 1 370.513 0.925 20 0 FCADMP COc1cccc(NC(=O)CC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714730 1210004395 /nfs/dbraw/zinc/00/43/95/1210004395.db2.gz WCZKROCBYAGUTR-OIISXLGYSA-N 2 1 374.441 0.891 20 0 FCADMP C[C@H](CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C[NH+]1CCOCC1 ZINC000868369499 1210055525 /nfs/dbraw/zinc/05/55/25/1210055525.db2.gz UWPUUKVVKOFAKE-QGZVFWFLSA-N 2 1 367.538 0.376 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994327 1225178777 /nfs/dbraw/zinc/17/87/77/1225178777.db2.gz LZURZWVIIOYNBD-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994327 1225178781 /nfs/dbraw/zinc/17/87/81/1225178781.db2.gz LZURZWVIIOYNBD-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(F)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000868967991 1210078632 /nfs/dbraw/zinc/07/86/32/1210078632.db2.gz UHDXQKVTYWIMDQ-CAOSSQGBSA-N 2 1 366.481 0.430 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221010181 1225185430 /nfs/dbraw/zinc/18/54/30/1225185430.db2.gz AXTRPZMCCCCBCQ-MSOLQXFVSA-N 2 1 372.513 0.734 20 0 FCADMP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786038 1210206233 /nfs/dbraw/zinc/20/62/33/1210206233.db2.gz OZOAIZDTVBNKJQ-USTZCAOPSA-N 2 1 355.438 0.639 20 0 FCADMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786038 1210206241 /nfs/dbraw/zinc/20/62/41/1210206241.db2.gz OZOAIZDTVBNKJQ-USTZCAOPSA-N 2 1 355.438 0.639 20 0 FCADMP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786038 1210206254 /nfs/dbraw/zinc/20/62/54/1210206254.db2.gz OZOAIZDTVBNKJQ-USTZCAOPSA-N 2 1 355.438 0.639 20 0 FCADMP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786038 1210206267 /nfs/dbraw/zinc/20/62/67/1210206267.db2.gz OZOAIZDTVBNKJQ-USTZCAOPSA-N 2 1 355.438 0.639 20 0 FCADMP O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1nnn2c1C[NH2+]CC2 ZINC001221045832 1225196267 /nfs/dbraw/zinc/19/62/67/1225196267.db2.gz QZRAGEUMJZQRNC-MRXNPFEDSA-N 2 1 358.421 0.991 20 0 FCADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875235954 1210355438 /nfs/dbraw/zinc/35/54/38/1210355438.db2.gz AFJUWSWBLICHLH-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000875334009 1210366041 /nfs/dbraw/zinc/36/60/41/1210366041.db2.gz JFGNOEQQZSSJJQ-DOTOQJQBSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000875334009 1210366046 /nfs/dbraw/zinc/36/60/46/1210366046.db2.gz JFGNOEQQZSSJJQ-DOTOQJQBSA-N 2 1 368.522 0.448 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000875800812 1210392754 /nfs/dbraw/zinc/39/27/54/1210392754.db2.gz QOJSTCLLDOGAPA-XHSDSOJGSA-N 2 1 369.510 0.077 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000875800812 1210392756 /nfs/dbraw/zinc/39/27/56/1210392756.db2.gz QOJSTCLLDOGAPA-XHSDSOJGSA-N 2 1 369.510 0.077 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000875800812 1210392758 /nfs/dbraw/zinc/39/27/58/1210392758.db2.gz QOJSTCLLDOGAPA-XHSDSOJGSA-N 2 1 369.510 0.077 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221081639 1225213513 /nfs/dbraw/zinc/21/35/13/1225213513.db2.gz QZFZFXWPFBYRSX-QYZOEREBSA-N 2 1 367.534 0.965 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696408 1210495203 /nfs/dbraw/zinc/49/52/03/1210495203.db2.gz PGQZTFDVLXBULT-KANFNMMFSA-N 2 1 361.486 0.298 20 0 FCADMP COc1cccc(C2(NC(=O)c3nnn4c3C[NH2+]CC4)CC[NH2+]CC2)c1 ZINC001221101067 1225223161 /nfs/dbraw/zinc/22/31/61/1225223161.db2.gz UVMIUHHQRWUHOT-UHFFFAOYSA-N 2 1 356.430 0.399 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000883288681 1210661523 /nfs/dbraw/zinc/66/15/23/1210661523.db2.gz NYNSCZCTSJERMC-SFHVURJKSA-N 2 1 369.554 0.813 20 0 FCADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000883288681 1210661526 /nfs/dbraw/zinc/66/15/26/1210661526.db2.gz NYNSCZCTSJERMC-SFHVURJKSA-N 2 1 369.554 0.813 20 0 FCADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000883288681 1210661528 /nfs/dbraw/zinc/66/15/28/1210661528.db2.gz NYNSCZCTSJERMC-SFHVURJKSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332197 1210662439 /nfs/dbraw/zinc/66/24/39/1210662439.db2.gz PPPXUNYPICOUKK-QZTJIDSGSA-N 2 1 366.506 0.792 20 0 FCADMP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426500 1210665352 /nfs/dbraw/zinc/66/53/52/1210665352.db2.gz SBDKWDKPZPVHMF-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426500 1210665355 /nfs/dbraw/zinc/66/53/55/1210665355.db2.gz SBDKWDKPZPVHMF-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883605317 1210673445 /nfs/dbraw/zinc/67/34/45/1210673445.db2.gz RYEHKWLTJRRGNZ-FUHWJXTLSA-N 2 1 371.485 0.778 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000883647851 1210679850 /nfs/dbraw/zinc/67/98/50/1210679850.db2.gz GOOCACHJFRLAQF-SFHVURJKSA-N 2 1 374.485 0.722 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883727928 1210685820 /nfs/dbraw/zinc/68/58/20/1210685820.db2.gz FWCIFCQQTBHROI-MRXNPFEDSA-N 2 1 365.522 0.986 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006345153 1210695510 /nfs/dbraw/zinc/69/55/10/1210695510.db2.gz VKTJSBHRELXNGC-JKIFEVAISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006345153 1210695514 /nfs/dbraw/zinc/69/55/14/1210695514.db2.gz VKTJSBHRELXNGC-JKIFEVAISA-N 2 1 366.506 0.010 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234283 1210725126 /nfs/dbraw/zinc/72/51/26/1210725126.db2.gz OJKPPBXFVGFOQQ-UHFFFAOYSA-N 2 1 360.506 0.249 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000884326920 1210730214 /nfs/dbraw/zinc/73/02/14/1210730214.db2.gz DVFZEGNTYMHLOJ-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000884326920 1210730218 /nfs/dbraw/zinc/73/02/18/1210730218.db2.gz DVFZEGNTYMHLOJ-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000884488826 1210738409 /nfs/dbraw/zinc/73/84/09/1210738409.db2.gz HVHJBXZHYHYWQE-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884513414 1210742213 /nfs/dbraw/zinc/74/22/13/1210742213.db2.gz IEUBZKDGLUMUHV-BBTUJRGHSA-N 2 1 370.497 0.835 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884522833 1210744580 /nfs/dbraw/zinc/74/45/80/1210744580.db2.gz JDENHKUWPPEZSF-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884522833 1210744585 /nfs/dbraw/zinc/74/45/85/1210744585.db2.gz JDENHKUWPPEZSF-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884560200 1210752000 /nfs/dbraw/zinc/75/20/00/1210752000.db2.gz QIUGELYEVPYTLE-MSOLQXFVSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884560200 1210752004 /nfs/dbraw/zinc/75/20/04/1210752004.db2.gz QIUGELYEVPYTLE-MSOLQXFVSA-N 2 1 356.470 0.514 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604593 1210760682 /nfs/dbraw/zinc/76/06/82/1210760682.db2.gz LOSQIVIINBXSEC-DZKDUJFISA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884604253 1210760845 /nfs/dbraw/zinc/76/08/45/1210760845.db2.gz CMRBBONOZXHEAR-JOCBIADPSA-N 2 1 358.486 0.676 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000884623939 1210764920 /nfs/dbraw/zinc/76/49/20/1210764920.db2.gz SLRGSOHNYDVEFL-CRAIPNDOSA-N 2 1 358.486 0.829 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000884623359 1210765002 /nfs/dbraw/zinc/76/50/02/1210765002.db2.gz ANUUQTSZSOTSDH-RDTXWAMCSA-N 2 1 356.470 0.584 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)c1 ZINC000884673866 1210776983 /nfs/dbraw/zinc/77/69/83/1210776983.db2.gz HUQCXQYZQOGPLA-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)c1 ZINC000884673866 1210776992 /nfs/dbraw/zinc/77/69/92/1210776992.db2.gz HUQCXQYZQOGPLA-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000884673643 1210777647 /nfs/dbraw/zinc/77/76/47/1210777647.db2.gz BZMQOBPIWKYZSS-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000884673643 1210777648 /nfs/dbraw/zinc/77/76/48/1210777648.db2.gz BZMQOBPIWKYZSS-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000884676352 1210778039 /nfs/dbraw/zinc/77/80/39/1210778039.db2.gz KOIPCPVEVGLNJZ-SFHVURJKSA-N 2 1 358.486 0.944 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884676762 1210778055 /nfs/dbraw/zinc/77/80/55/1210778055.db2.gz XGVJFOTWJVIDHW-AEFFLSMTSA-N 2 1 360.502 0.987 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000884703475 1210783717 /nfs/dbraw/zinc/78/37/17/1210783717.db2.gz AUKZBBOSOFOQLO-DOTOQJQBSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000884703475 1210783721 /nfs/dbraw/zinc/78/37/21/1210783721.db2.gz AUKZBBOSOFOQLO-DOTOQJQBSA-N 2 1 362.474 0.166 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715612 1210785780 /nfs/dbraw/zinc/78/57/80/1210785780.db2.gz YUBDAQVFMSEUCE-DOTOQJQBSA-N 2 1 358.486 0.868 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000884716611 1210787042 /nfs/dbraw/zinc/78/70/42/1210787042.db2.gz CWUXWPSBQNTYNR-SZMVWBNQSA-N 2 1 358.486 0.800 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884783042 1210794301 /nfs/dbraw/zinc/79/43/01/1210794301.db2.gz PDXTZALXYLNECA-KGLIPLIRSA-N 2 1 372.460 0.871 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884797297 1210797260 /nfs/dbraw/zinc/79/72/60/1210797260.db2.gz RPDKASXNKUTCCH-RDJZCZTQSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884797297 1210797267 /nfs/dbraw/zinc/79/72/67/1210797267.db2.gz RPDKASXNKUTCCH-RDJZCZTQSA-N 2 1 362.474 0.036 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834569 1210800371 /nfs/dbraw/zinc/80/03/71/1210800371.db2.gz YPLQBVHLXLMAPH-RYQLBKOJSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835245 1210800523 /nfs/dbraw/zinc/80/05/23/1210800523.db2.gz NMLKMHKNAXDGND-SOLBZPMBSA-N 2 1 358.486 0.691 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884890122 1210803229 /nfs/dbraw/zinc/80/32/29/1210803229.db2.gz PZNMSZCNNRXFIK-ROUUACIJSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000884972480 1210806201 /nfs/dbraw/zinc/80/62/01/1210806201.db2.gz PWJSKDWTKIJKMZ-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000884972480 1210806203 /nfs/dbraw/zinc/80/62/03/1210806203.db2.gz PWJSKDWTKIJKMZ-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)cc1 ZINC000884982437 1210806328 /nfs/dbraw/zinc/80/63/28/1210806328.db2.gz BQBYURBZPXPOSP-WAOWUJCRSA-N 2 1 370.497 0.753 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000884983113 1210806760 /nfs/dbraw/zinc/80/67/60/1210806760.db2.gz FINYORCQRVGKHU-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000884983113 1210806761 /nfs/dbraw/zinc/80/67/61/1210806761.db2.gz FINYORCQRVGKHU-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884983276 1210807178 /nfs/dbraw/zinc/80/71/78/1210807178.db2.gz QAKJYPQIWKPKRQ-QZTJIDSGSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000885019041 1210808922 /nfs/dbraw/zinc/80/89/22/1210808922.db2.gz YBANMQLDUKTLJU-MSOLQXFVSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000885019041 1210808925 /nfs/dbraw/zinc/80/89/25/1210808925.db2.gz YBANMQLDUKTLJU-MSOLQXFVSA-N 2 1 374.485 0.119 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000885136149 1210811470 /nfs/dbraw/zinc/81/14/70/1210811470.db2.gz MWPWYZROOLLBBY-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C ZINC000885139759 1210811827 /nfs/dbraw/zinc/81/18/27/1210811827.db2.gz LLKMFDSIUNEHCJ-PMPSAXMXSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C ZINC000885139759 1210811829 /nfs/dbraw/zinc/81/18/29/1210811829.db2.gz LLKMFDSIUNEHCJ-PMPSAXMXSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885154427 1210813392 /nfs/dbraw/zinc/81/33/92/1210813392.db2.gz WLMUQMCAPPJEQR-JLSDUUJJSA-N 2 1 358.486 0.616 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156601 1210813480 /nfs/dbraw/zinc/81/34/80/1210813480.db2.gz YQMALQWDMZCQNN-YJBOKZPZSA-N 2 1 358.486 0.617 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885155818 1210813600 /nfs/dbraw/zinc/81/36/00/1210813600.db2.gz CCUHQKTZDDEZQN-GOSISDBHSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872184 1210838913 /nfs/dbraw/zinc/83/89/13/1210838913.db2.gz LSBIXSYDYHNXMM-AZUAARDMSA-N 2 1 366.550 0.925 20 0 FCADMP CCN(C(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[C@H]1CC[NH2+]C1 ZINC000887067938 1210845296 /nfs/dbraw/zinc/84/52/96/1210845296.db2.gz CEPMTAKDYDLTQN-HNNXBMFYSA-N 2 1 360.458 0.970 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887070348 1210845589 /nfs/dbraw/zinc/84/55/89/1210845589.db2.gz KPMWSSBDSTZERO-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001274195850 1210909011 /nfs/dbraw/zinc/90/90/11/1210909011.db2.gz VZFNKUOCOJWLDJ-WBVHZDCISA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933350 1210921020 /nfs/dbraw/zinc/92/10/20/1210921020.db2.gz NHTDFPXQCRWVHH-OGNFBWPZSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933350 1210921031 /nfs/dbraw/zinc/92/10/31/1210921031.db2.gz NHTDFPXQCRWVHH-OGNFBWPZSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933350 1210921036 /nfs/dbraw/zinc/92/10/36/1210921036.db2.gz NHTDFPXQCRWVHH-OGNFBWPZSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756682 1210947836 /nfs/dbraw/zinc/94/78/36/1210947836.db2.gz OEODFXFNVRAUBO-HZPDHXFCSA-N 2 1 372.473 0.894 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)n2)CC1 ZINC000889764798 1210949193 /nfs/dbraw/zinc/94/91/93/1210949193.db2.gz YKEJTLCODGQOEL-MSOLQXFVSA-N 2 1 373.501 0.505 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134547 1210967386 /nfs/dbraw/zinc/96/73/86/1210967386.db2.gz ZVHATPZGCRWEIH-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890134547 1210967388 /nfs/dbraw/zinc/96/73/88/1210967388.db2.gz ZVHATPZGCRWEIH-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134547 1210967391 /nfs/dbraw/zinc/96/73/91/1210967391.db2.gz ZVHATPZGCRWEIH-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890141678 1210969429 /nfs/dbraw/zinc/96/94/29/1210969429.db2.gz ODCPTRHFRZQPAE-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1ccccc1 ZINC000174711093 1210985205 /nfs/dbraw/zinc/98/52/05/1210985205.db2.gz CWZQNWKEUYORDQ-UHFFFAOYSA-N 2 1 361.490 0.582 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(c4ncccn4)CC3)C2)CC[N@@H+]1C ZINC001066708521 1211002958 /nfs/dbraw/zinc/00/29/58/1211002958.db2.gz KICFMCKXVKGXDL-BRWVUGGUSA-N 2 1 358.490 0.540 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(c4ncccn4)CC3)C2)CC[N@H+]1C ZINC001066708521 1211002960 /nfs/dbraw/zinc/00/29/60/1211002960.db2.gz KICFMCKXVKGXDL-BRWVUGGUSA-N 2 1 358.490 0.540 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2ccnc2)C3)n1 ZINC001110876381 1211007846 /nfs/dbraw/zinc/00/78/46/1211007846.db2.gz KNPUQDOITZLYNB-ZACQAIPSSA-N 2 1 357.462 0.903 20 0 FCADMP Cc1nc(C)n(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2ccnc2)C3)n1 ZINC001110876381 1211007848 /nfs/dbraw/zinc/00/78/48/1211007848.db2.gz KNPUQDOITZLYNB-ZACQAIPSSA-N 2 1 357.462 0.903 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CCC[NH+]4CCCCC4)CC3)[C@H]2C1 ZINC001274404701 1211046080 /nfs/dbraw/zinc/04/60/80/1211046080.db2.gz GPUGGHUUBDSMPQ-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001274419403 1211050121 /nfs/dbraw/zinc/05/01/21/1211050121.db2.gz SHVWUQTWFJKIAT-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP CCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275104668 1211175839 /nfs/dbraw/zinc/17/58/39/1211175839.db2.gz XWPMAZJSDCAPBM-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275104668 1211175840 /nfs/dbraw/zinc/17/58/40/1211175840.db2.gz XWPMAZJSDCAPBM-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP CCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275104668 1211175843 /nfs/dbraw/zinc/17/58/43/1211175843.db2.gz XWPMAZJSDCAPBM-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143367 1211179065 /nfs/dbraw/zinc/17/90/65/1211179065.db2.gz UGTVJWMYPGBHHC-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143367 1211179070 /nfs/dbraw/zinc/17/90/70/1211179070.db2.gz UGTVJWMYPGBHHC-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143367 1211179075 /nfs/dbraw/zinc/17/90/75/1211179075.db2.gz UGTVJWMYPGBHHC-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001275309253 1211213526 /nfs/dbraw/zinc/21/35/26/1211213526.db2.gz UXODKKJQKAUSBC-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)OCC1=O ZINC001275309253 1211213529 /nfs/dbraw/zinc/21/35/29/1211213529.db2.gz UXODKKJQKAUSBC-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cnc4cc[nH]cc3-4)C2)OCC1=O ZINC001275309253 1211213532 /nfs/dbraw/zinc/21/35/32/1211213532.db2.gz UXODKKJQKAUSBC-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001275309253 1211213534 /nfs/dbraw/zinc/21/35/34/1211213534.db2.gz UXODKKJQKAUSBC-IBGZPJMESA-N 3 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001275309253 1211213537 /nfs/dbraw/zinc/21/35/37/1211213537.db2.gz UXODKKJQKAUSBC-IBGZPJMESA-N 3 1 357.458 0.928 20 0 FCADMP Cc1ncc(CO)c(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001275335536 1211216495 /nfs/dbraw/zinc/21/64/95/1211216495.db2.gz NEEJBXOPQSBPJC-LJQANCHMSA-N 2 1 362.474 0.716 20 0 FCADMP Cc1ncc(CO)c(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1O ZINC001275335864 1211217238 /nfs/dbraw/zinc/21/72/38/1211217238.db2.gz XBHFCAHUXMBWEE-LJQANCHMSA-N 2 1 362.474 0.574 20 0 FCADMP CN1C[C@]2(CC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)OCC1=O ZINC001275389259 1211228848 /nfs/dbraw/zinc/22/88/48/1211228848.db2.gz ALGQAABNRJPYDH-FQEVSTJZSA-N 2 1 359.470 0.952 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(CCN(Cc3cnccc3N)C2)OCC1=O ZINC001275446779 1211238938 /nfs/dbraw/zinc/23/89/38/1211238938.db2.gz BVQQYCIQXURXGD-SFHVURJKSA-N 2 1 362.430 0.249 20 0 FCADMP NC(=O)CCCCCN1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447855 1211239405 /nfs/dbraw/zinc/23/94/05/1211239405.db2.gz PNZJPYBBPJZVOB-LJQANCHMSA-N 2 1 359.474 0.964 20 0 FCADMP NC(=O)CCCCCN1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447855 1211239409 /nfs/dbraw/zinc/23/94/09/1211239409.db2.gz PNZJPYBBPJZVOB-LJQANCHMSA-N 2 1 359.474 0.964 20 0 FCADMP Nc1ccncc1C[N@H+]1CCCC[C@@]12CC(=O)N(C[C@H]1CCC(=O)N1)C2 ZINC001275456235 1211242409 /nfs/dbraw/zinc/24/24/09/1211242409.db2.gz XGVIMTXXFJZOOW-BEFAXECRSA-N 2 1 357.458 0.730 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@@]12CC(=O)N(C[C@H]1CCC(=O)N1)C2 ZINC001275456235 1211242415 /nfs/dbraw/zinc/24/24/15/1211242415.db2.gz XGVIMTXXFJZOOW-BEFAXECRSA-N 2 1 357.458 0.730 20 0 FCADMP COC(C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1)OC ZINC001275493380 1211250606 /nfs/dbraw/zinc/25/06/06/1211250606.db2.gz JVORWTLEZBPPOB-IBGZPJMESA-N 2 1 368.522 0.167 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275512143 1211252414 /nfs/dbraw/zinc/25/24/14/1211252414.db2.gz PYEKMJOBRSEPRT-IBGZPJMESA-N 2 1 368.522 0.356 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275512143 1211252418 /nfs/dbraw/zinc/25/24/18/1211252418.db2.gz PYEKMJOBRSEPRT-IBGZPJMESA-N 2 1 368.522 0.356 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001275556657 1211256636 /nfs/dbraw/zinc/25/66/36/1211256636.db2.gz NMUZHBROUDIJHZ-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP CC1(C)OC[C@H](CN2C[C@@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736071 1211278311 /nfs/dbraw/zinc/27/83/11/1211278311.db2.gz AAHLPYBZJUGDIQ-LPHOPBHVSA-N 2 1 367.490 0.441 20 0 FCADMP CC(C)(C)OC(=O)CCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736090 1211278388 /nfs/dbraw/zinc/27/83/88/1211278388.db2.gz AKEUBWKFHQOQTM-UHFFFAOYSA-N 2 1 367.490 0.631 20 0 FCADMP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737827 1211279249 /nfs/dbraw/zinc/27/92/49/1211279249.db2.gz OWKJWSSEVPKDNR-IBGZPJMESA-N 2 1 364.490 0.305 20 0 FCADMP Cc1noc(CN2C[C@]3(CC2=O)COCC[N@@H+](CC2CC[NH2+]CC2)C3)n1 ZINC001275738044 1211279264 /nfs/dbraw/zinc/27/92/64/1211279264.db2.gz SGHBXDBZRTYLPL-GOSISDBHSA-N 2 1 363.462 0.429 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738441 1211279334 /nfs/dbraw/zinc/27/93/34/1211279334.db2.gz ZFWLUKSSLXMLBN-HNAYVOBHSA-N 2 1 367.490 0.489 20 0 FCADMP Cn1cnnc1CN1CC[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275749998 1211280686 /nfs/dbraw/zinc/28/06/86/1211280686.db2.gz CJLLUNXPCLMPJU-IBGZPJMESA-N 2 1 360.506 0.971 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862118 1211299079 /nfs/dbraw/zinc/29/90/79/1211299079.db2.gz BHBTZHQAVVKCAZ-FQEVSTJZSA-N 3 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CCN(CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862118 1211299081 /nfs/dbraw/zinc/29/90/81/1211299081.db2.gz BHBTZHQAVVKCAZ-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877547 1211302744 /nfs/dbraw/zinc/30/27/44/1211302744.db2.gz DAJKVWFRDKKVFA-APWZRJJASA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877547 1211302747 /nfs/dbraw/zinc/30/27/47/1211302747.db2.gz DAJKVWFRDKKVFA-APWZRJJASA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877547 1211302749 /nfs/dbraw/zinc/30/27/49/1211302749.db2.gz DAJKVWFRDKKVFA-APWZRJJASA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877547 1211302752 /nfs/dbraw/zinc/30/27/52/1211302752.db2.gz DAJKVWFRDKKVFA-APWZRJJASA-N 2 1 367.490 0.790 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878593 1211302929 /nfs/dbraw/zinc/30/29/29/1211302929.db2.gz LTHTVXUSLCHNDC-FRQCXROJSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275878593 1211302934 /nfs/dbraw/zinc/30/29/34/1211302934.db2.gz LTHTVXUSLCHNDC-FRQCXROJSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275878593 1211302937 /nfs/dbraw/zinc/30/29/37/1211302937.db2.gz LTHTVXUSLCHNDC-FRQCXROJSA-N 2 1 367.490 0.441 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881224 1211304993 /nfs/dbraw/zinc/30/49/93/1211304993.db2.gz XZUDRQXUFSCSLZ-KXBFYZLASA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881224 1211304994 /nfs/dbraw/zinc/30/49/94/1211304994.db2.gz XZUDRQXUFSCSLZ-KXBFYZLASA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O)OC ZINC001275881224 1211304995 /nfs/dbraw/zinc/30/49/95/1211304995.db2.gz XZUDRQXUFSCSLZ-KXBFYZLASA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O)OC ZINC001275881224 1211304997 /nfs/dbraw/zinc/30/49/97/1211304997.db2.gz XZUDRQXUFSCSLZ-KXBFYZLASA-N 2 1 367.490 0.788 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881252 1211305279 /nfs/dbraw/zinc/30/52/79/1211305279.db2.gz YKVXRCDGTUPYCQ-QFBILLFUSA-N 2 1 366.506 0.286 20 0 FCADMP CN1CCC[C@@H](C[N@H+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878653 1211305907 /nfs/dbraw/zinc/30/59/07/1211305907.db2.gz MJHFBSGXJHMTOH-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878653 1211305911 /nfs/dbraw/zinc/30/59/11/1211305911.db2.gz MJHFBSGXJHMTOH-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878653 1211305915 /nfs/dbraw/zinc/30/59/15/1211305915.db2.gz MJHFBSGXJHMTOH-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878653 1211305920 /nfs/dbraw/zinc/30/59/20/1211305920.db2.gz MJHFBSGXJHMTOH-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4[nH]cnc43)C2)OCC1=O ZINC001276201323 1211380246 /nfs/dbraw/zinc/38/02/46/1211380246.db2.gz HMNWPCHOGIKELP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4nc[nH]c43)C2)OCC1=O ZINC001276201323 1211380250 /nfs/dbraw/zinc/38/02/50/1211380250.db2.gz HMNWPCHOGIKELP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4nc[nH]c43)C2)OCC1=O ZINC001276201323 1211380252 /nfs/dbraw/zinc/38/02/52/1211380252.db2.gz HMNWPCHOGIKELP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc2c(cn1)OCCO2 ZINC001276233899 1211385747 /nfs/dbraw/zinc/38/57/47/1211385747.db2.gz OSYDUACRNPGOLP-HZPDHXFCSA-N 2 1 360.458 0.980 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2c(cn1)OCCO2 ZINC001276233899 1211385749 /nfs/dbraw/zinc/38/57/49/1211385749.db2.gz OSYDUACRNPGOLP-HZPDHXFCSA-N 2 1 360.458 0.980 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247536 1211391701 /nfs/dbraw/zinc/39/17/01/1211391701.db2.gz PQTSMAPXHBBIGI-SCLBCKFNSA-N 2 1 362.430 0.570 20 0 FCADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269711 1211400226 /nfs/dbraw/zinc/40/02/26/1211400226.db2.gz OFUCCMPXVGDGOL-LPHOPBHVSA-N 2 1 369.506 0.831 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000545884760 1211425497 /nfs/dbraw/zinc/42/54/97/1211425497.db2.gz DWFVJBWSAGCDQX-GOSISDBHSA-N 2 1 362.478 0.428 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000545884760 1211425501 /nfs/dbraw/zinc/42/55/01/1211425501.db2.gz DWFVJBWSAGCDQX-GOSISDBHSA-N 2 1 362.478 0.428 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523920 1211473075 /nfs/dbraw/zinc/47/30/75/1211473075.db2.gz CWSNBMSTULCNBT-PBHICJAKSA-N 2 1 360.458 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523920 1211473078 /nfs/dbraw/zinc/47/30/78/1211473078.db2.gz CWSNBMSTULCNBT-PBHICJAKSA-N 2 1 360.458 0.889 20 0 FCADMP CN1CCn2nc(NC(=O)N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)cc2C1 ZINC000926186801 1211520673 /nfs/dbraw/zinc/52/06/73/1211520673.db2.gz ABUJBCCISNXULT-IYBDPMFKSA-N 2 1 373.505 0.761 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000926292283 1211527195 /nfs/dbraw/zinc/52/71/95/1211527195.db2.gz YKOKDJDWUBBOHA-SFHVURJKSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000926322473 1211530712 /nfs/dbraw/zinc/53/07/12/1211530712.db2.gz WJQDLCUSQAJIPA-TWMKSMIVSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000926322473 1211530716 /nfs/dbraw/zinc/53/07/16/1211530716.db2.gz WJQDLCUSQAJIPA-TWMKSMIVSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927632162 1211576285 /nfs/dbraw/zinc/57/62/85/1211576285.db2.gz XEBJXVKKBZJCSU-ZBFHGGJFSA-N 2 1 367.494 0.001 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927641370 1211579054 /nfs/dbraw/zinc/57/90/54/1211579054.db2.gz WWGAHXNWEQGXDT-QGZVFWFLSA-N 2 1 368.522 0.774 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000927644412 1211579219 /nfs/dbraw/zinc/57/92/19/1211579219.db2.gz HJZRYNOLVMHJTR-QZTJIDSGSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000927644412 1211579223 /nfs/dbraw/zinc/57/92/23/1211579223.db2.gz HJZRYNOLVMHJTR-QZTJIDSGSA-N 2 1 366.506 0.746 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941249 1211598380 /nfs/dbraw/zinc/59/83/80/1211598380.db2.gz VNSOOWYTKBOTRG-BDXSIMOUSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941249 1211598385 /nfs/dbraw/zinc/59/83/85/1211598385.db2.gz VNSOOWYTKBOTRG-BDXSIMOUSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941249 1211598388 /nfs/dbraw/zinc/59/83/88/1211598388.db2.gz VNSOOWYTKBOTRG-BDXSIMOUSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941249 1211598392 /nfs/dbraw/zinc/59/83/92/1211598392.db2.gz VNSOOWYTKBOTRG-BDXSIMOUSA-N 2 1 369.506 0.480 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001110948589 1211609524 /nfs/dbraw/zinc/60/95/24/1211609524.db2.gz BYLQJUQVSHLVPN-AHCXZYCDSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001110948589 1211609527 /nfs/dbraw/zinc/60/95/27/1211609527.db2.gz BYLQJUQVSHLVPN-AHCXZYCDSA-N 2 1 362.474 0.484 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000929963877 1211676446 /nfs/dbraw/zinc/67/64/46/1211676446.db2.gz IRPSTAHAXLRZQN-QGZVFWFLSA-N 2 1 374.485 0.080 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000929963877 1211676449 /nfs/dbraw/zinc/67/64/49/1211676449.db2.gz IRPSTAHAXLRZQN-QGZVFWFLSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000929978978 1211678002 /nfs/dbraw/zinc/67/80/02/1211678002.db2.gz VDVOKWJLKGQWGF-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000929978978 1211678008 /nfs/dbraw/zinc/67/80/08/1211678008.db2.gz VDVOKWJLKGQWGF-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978978 1211678010 /nfs/dbraw/zinc/67/80/10/1211678010.db2.gz VDVOKWJLKGQWGF-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978978 1211678012 /nfs/dbraw/zinc/67/80/12/1211678012.db2.gz VDVOKWJLKGQWGF-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994259 1211715897 /nfs/dbraw/zinc/71/58/97/1211715897.db2.gz VHZNGDWYOQFHJK-ZJPYXAASSA-N 2 1 368.522 0.447 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439575 1211756581 /nfs/dbraw/zinc/75/65/81/1211756581.db2.gz OZZIHEWIEIHBHD-IKGGRYGDSA-N 2 1 358.442 0.748 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439575 1211756584 /nfs/dbraw/zinc/75/65/84/1211756584.db2.gz OZZIHEWIEIHBHD-IKGGRYGDSA-N 2 1 358.442 0.748 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439575 1211756593 /nfs/dbraw/zinc/75/65/93/1211756593.db2.gz OZZIHEWIEIHBHD-IKGGRYGDSA-N 2 1 358.442 0.748 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H]3C(=O)NCC3(C)C)cc2)CC1 ZINC000931651130 1211768256 /nfs/dbraw/zinc/76/82/56/1211768256.db2.gz GJHMFKWHTKDROU-SFHVURJKSA-N 2 1 373.501 0.881 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931872636 1211776704 /nfs/dbraw/zinc/77/67/04/1211776704.db2.gz BVQYSXJFFKHPJC-HNNXBMFYSA-N 2 1 368.428 0.675 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931872636 1211776707 /nfs/dbraw/zinc/77/67/07/1211776707.db2.gz BVQYSXJFFKHPJC-HNNXBMFYSA-N 2 1 368.428 0.675 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878503 1211777414 /nfs/dbraw/zinc/77/74/14/1211777414.db2.gz JDUMLONLFZASDB-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931878503 1211777416 /nfs/dbraw/zinc/77/74/16/1211777416.db2.gz JDUMLONLFZASDB-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931878503 1211777419 /nfs/dbraw/zinc/77/74/19/1211777419.db2.gz JDUMLONLFZASDB-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931878503 1211777424 /nfs/dbraw/zinc/77/74/24/1211777424.db2.gz JDUMLONLFZASDB-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP O=C(CC[N@H+]1CC[C@@H](C2OCCO2)C1)N1CCN(c2ccccn2)CC1 ZINC000932007049 1211792881 /nfs/dbraw/zinc/79/28/81/1211792881.db2.gz CCFXBCUUSVYPAZ-MRXNPFEDSA-N 2 1 360.458 0.815 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000932812892 1211823194 /nfs/dbraw/zinc/82/31/94/1211823194.db2.gz SNOVZRWHAAVJLO-MRXNPFEDSA-N 2 1 359.474 0.862 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000932814818 1211823451 /nfs/dbraw/zinc/82/34/51/1211823451.db2.gz COZDKTRVDMVTHZ-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000932814818 1211823452 /nfs/dbraw/zinc/82/34/52/1211823452.db2.gz COZDKTRVDMVTHZ-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933848833 1211849110 /nfs/dbraw/zinc/84/91/10/1211849110.db2.gz RJANUONEEIEYHM-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CC[NH+](C)CC2)C3)cn1 ZINC001111198376 1211923835 /nfs/dbraw/zinc/92/38/35/1211923835.db2.gz WNWRMCFQPLVDND-NXHRZFHOSA-N 2 1 361.490 0.752 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CC[NH+](C)CC2)C3)cn1 ZINC001111198376 1211923837 /nfs/dbraw/zinc/92/38/37/1211923837.db2.gz WNWRMCFQPLVDND-NXHRZFHOSA-N 2 1 361.490 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000947513092 1212038579 /nfs/dbraw/zinc/03/85/79/1212038579.db2.gz GHUMYDKQUOEDPB-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000947964375 1212105281 /nfs/dbraw/zinc/10/52/81/1212105281.db2.gz DPICHKSEZIDAKS-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC000968867893 1212159715 /nfs/dbraw/zinc/15/97/15/1212159715.db2.gz JJFDYIWHCYDJDO-ZACQAIPSSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948409855 1212170142 /nfs/dbraw/zinc/17/01/42/1212170142.db2.gz IVVUFSXQOWXMKL-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948409855 1212170147 /nfs/dbraw/zinc/17/01/47/1212170147.db2.gz IVVUFSXQOWXMKL-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948409855 1212170153 /nfs/dbraw/zinc/17/01/53/1212170153.db2.gz IVVUFSXQOWXMKL-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948409855 1212170159 /nfs/dbraw/zinc/17/01/59/1212170159.db2.gz IVVUFSXQOWXMKL-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001111276461 1212192236 /nfs/dbraw/zinc/19/22/36/1212192236.db2.gz WQEWRHRCYOEMGC-SPUZQDLCSA-N 2 1 362.474 0.880 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC[C@@H]1CCCO1 ZINC001111276461 1212192239 /nfs/dbraw/zinc/19/22/39/1212192239.db2.gz WQEWRHRCYOEMGC-SPUZQDLCSA-N 2 1 362.474 0.880 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000948994501 1212271936 /nfs/dbraw/zinc/27/19/36/1212271936.db2.gz FTPHOWFHKVPJEF-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000949007940 1212274381 /nfs/dbraw/zinc/27/43/81/1212274381.db2.gz HEAJHAAPKCSIKB-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000949117209 1212298130 /nfs/dbraw/zinc/29/81/30/1212298130.db2.gz MNNSYYGXLQNCDS-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000949117209 1212298138 /nfs/dbraw/zinc/29/81/38/1212298138.db2.gz MNNSYYGXLQNCDS-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000949117210 1212298233 /nfs/dbraw/zinc/29/82/33/1212298233.db2.gz MNNSYYGXLQNCDS-OWCLPIDISA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000949117210 1212298238 /nfs/dbraw/zinc/29/82/38/1212298238.db2.gz MNNSYYGXLQNCDS-OWCLPIDISA-N 2 1 361.490 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000949183541 1212314947 /nfs/dbraw/zinc/31/49/47/1212314947.db2.gz CQMOCXLHXYSIPD-XJKCOSOUSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000949183541 1212314953 /nfs/dbraw/zinc/31/49/53/1212314953.db2.gz CQMOCXLHXYSIPD-XJKCOSOUSA-N 2 1 363.462 0.265 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000949216067 1212328541 /nfs/dbraw/zinc/32/85/41/1212328541.db2.gz KSUBFHFHRSCPOO-KBRIMQKVSA-N 2 1 359.474 0.496 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555805 1225365058 /nfs/dbraw/zinc/36/50/58/1225365058.db2.gz ZLMSCUHWBMBLNB-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555805 1225365064 /nfs/dbraw/zinc/36/50/64/1225365064.db2.gz ZLMSCUHWBMBLNB-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561127 1225369145 /nfs/dbraw/zinc/36/91/45/1225369145.db2.gz ZUWHZCUZJZCQQG-VDHUWJSZSA-N 2 1 366.506 0.012 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561127 1225369147 /nfs/dbraw/zinc/36/91/47/1225369147.db2.gz ZUWHZCUZJZCQQG-VDHUWJSZSA-N 2 1 366.506 0.012 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561127 1225369149 /nfs/dbraw/zinc/36/91/49/1225369149.db2.gz ZUWHZCUZJZCQQG-VDHUWJSZSA-N 2 1 366.506 0.012 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001111307629 1212530225 /nfs/dbraw/zinc/53/02/25/1212530225.db2.gz OCLYFJNUBGGBNL-XDNAFOTISA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001111307629 1212530228 /nfs/dbraw/zinc/53/02/28/1212530228.db2.gz OCLYFJNUBGGBNL-XDNAFOTISA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001111307629 1212530232 /nfs/dbraw/zinc/53/02/32/1212530232.db2.gz OCLYFJNUBGGBNL-XDNAFOTISA-N 2 1 371.522 0.464 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001006458056 1212585110 /nfs/dbraw/zinc/58/51/10/1212585110.db2.gz RDDBXZFNQLUTDA-BHYGNILZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000950701039 1212633999 /nfs/dbraw/zinc/63/39/99/1212633999.db2.gz OHNISCFFGRDVDR-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813302 1212663510 /nfs/dbraw/zinc/66/35/10/1212663510.db2.gz MMNFJUYQTOHASP-DHXZDTOLSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813302 1212663515 /nfs/dbraw/zinc/66/35/15/1212663515.db2.gz MMNFJUYQTOHASP-DHXZDTOLSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)O1 ZINC001008287370 1212674254 /nfs/dbraw/zinc/67/42/54/1212674254.db2.gz NPGYLFDRKRWICS-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)O1 ZINC001008287370 1212674259 /nfs/dbraw/zinc/67/42/59/1212674259.db2.gz NPGYLFDRKRWICS-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)O1 ZINC001008287377 1212674394 /nfs/dbraw/zinc/67/43/94/1212674394.db2.gz NPGYLFDRKRWICS-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)O1 ZINC001008287377 1212674399 /nfs/dbraw/zinc/67/43/99/1212674399.db2.gz NPGYLFDRKRWICS-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616722 1225399935 /nfs/dbraw/zinc/39/99/35/1225399935.db2.gz RUVQLBFEIYLUCM-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620535 1225400748 /nfs/dbraw/zinc/40/07/48/1225400748.db2.gz JQCOVFLWARZKFA-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620535 1225400751 /nfs/dbraw/zinc/40/07/51/1225400751.db2.gz JQCOVFLWARZKFA-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620535 1225400753 /nfs/dbraw/zinc/40/07/53/1225400753.db2.gz JQCOVFLWARZKFA-BPQIPLTHSA-N 2 1 369.506 0.027 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307797 1212956547 /nfs/dbraw/zinc/95/65/47/1212956547.db2.gz LXAAXDXQCDMDEN-PKOBYXMFSA-N 2 1 366.506 0.110 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307795 1212958767 /nfs/dbraw/zinc/95/87/67/1212958767.db2.gz LXAAXDXQCDMDEN-IEBWSBKVSA-N 2 1 366.506 0.110 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647296 1225417417 /nfs/dbraw/zinc/41/74/17/1225417417.db2.gz WSEUVCRBYSMZCN-KZNAEPCWSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647296 1225417418 /nfs/dbraw/zinc/41/74/18/1225417418.db2.gz WSEUVCRBYSMZCN-KZNAEPCWSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647296 1225417419 /nfs/dbraw/zinc/41/74/19/1225417419.db2.gz WSEUVCRBYSMZCN-KZNAEPCWSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000953947567 1213026036 /nfs/dbraw/zinc/02/60/36/1213026036.db2.gz CNJKFCKROYMQRH-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000953947567 1213026039 /nfs/dbraw/zinc/02/60/39/1213026039.db2.gz CNJKFCKROYMQRH-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000953947567 1213026042 /nfs/dbraw/zinc/02/60/42/1213026042.db2.gz CNJKFCKROYMQRH-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000953947567 1213026045 /nfs/dbraw/zinc/02/60/45/1213026045.db2.gz CNJKFCKROYMQRH-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120890 1213042502 /nfs/dbraw/zinc/04/25/02/1213042502.db2.gz YXGALNXUCBBXIA-HUUCEWRRSA-N 2 1 366.510 0.113 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000956038804 1213165776 /nfs/dbraw/zinc/16/57/76/1213165776.db2.gz XEASUADIKCJNHI-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000956386362 1213189589 /nfs/dbraw/zinc/18/95/89/1213189589.db2.gz DDFWJNMTOVKCOK-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000956386362 1213189591 /nfs/dbraw/zinc/18/95/91/1213189591.db2.gz DDFWJNMTOVKCOK-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000956386362 1213189593 /nfs/dbraw/zinc/18/95/93/1213189593.db2.gz DDFWJNMTOVKCOK-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000956386362 1213189595 /nfs/dbraw/zinc/18/95/95/1213189595.db2.gz DDFWJNMTOVKCOK-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000641802077 1213215862 /nfs/dbraw/zinc/21/58/62/1213215862.db2.gz HSFJXYSRAIGCRM-MSOLQXFVSA-N 2 1 360.502 0.850 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788127 1213216194 /nfs/dbraw/zinc/21/61/94/1213216194.db2.gz ROALVTWNYXLWCP-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000641788127 1213216196 /nfs/dbraw/zinc/21/61/96/1213216196.db2.gz ROALVTWNYXLWCP-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641788127 1213216199 /nfs/dbraw/zinc/21/61/99/1213216199.db2.gz ROALVTWNYXLWCP-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000956989845 1213227156 /nfs/dbraw/zinc/22/71/56/1213227156.db2.gz OEXIXGRBHYCBDZ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000957083164 1213247589 /nfs/dbraw/zinc/24/75/89/1213247589.db2.gz KOSNAUOLRHXONZ-BZUAXINKSA-N 2 1 371.485 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000957083165 1213247880 /nfs/dbraw/zinc/24/78/80/1213247880.db2.gz KOSNAUOLRHXONZ-OAGGEKHMSA-N 2 1 371.485 0.819 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957088278 1213248888 /nfs/dbraw/zinc/24/88/88/1213248888.db2.gz YXETYNFEJBFHOL-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(Cc2cnc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000093479085 1213261925 /nfs/dbraw/zinc/26/19/25/1213261925.db2.gz HQHFIYGWBYQYLY-CALCHBBNSA-N 2 1 362.522 0.769 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000093479085 1213261927 /nfs/dbraw/zinc/26/19/27/1213261927.db2.gz HQHFIYGWBYQYLY-CALCHBBNSA-N 2 1 362.522 0.769 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC000959963241 1213563829 /nfs/dbraw/zinc/56/38/29/1213563829.db2.gz CCKLRHQSHYRSRF-DOEOUOAPSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC000959963241 1213563831 /nfs/dbraw/zinc/56/38/31/1213563831.db2.gz CCKLRHQSHYRSRF-DOEOUOAPSA-N 2 1 362.518 0.776 20 0 FCADMP COc1coc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1=O ZINC000959968991 1213565872 /nfs/dbraw/zinc/56/58/72/1213565872.db2.gz URHQMMOSMSWLJG-QQQXPLKNSA-N 2 1 361.442 0.535 20 0 FCADMP COc1coc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1=O ZINC000959968991 1213565876 /nfs/dbraw/zinc/56/58/76/1213565876.db2.gz URHQMMOSMSWLJG-QQQXPLKNSA-N 2 1 361.442 0.535 20 0 FCADMP COc1coc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1=O ZINC000959968991 1213565878 /nfs/dbraw/zinc/56/58/78/1213565878.db2.gz URHQMMOSMSWLJG-QQQXPLKNSA-N 2 1 361.442 0.535 20 0 FCADMP COc1coc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC000959968991 1213565884 /nfs/dbraw/zinc/56/58/84/1213565884.db2.gz URHQMMOSMSWLJG-QQQXPLKNSA-N 2 1 361.442 0.535 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960008332 1213578446 /nfs/dbraw/zinc/57/84/46/1213578446.db2.gz LVBCSEXSPWQEEG-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960008332 1213578450 /nfs/dbraw/zinc/57/84/50/1213578450.db2.gz LVBCSEXSPWQEEG-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001221770176 1225474909 /nfs/dbraw/zinc/47/49/09/1225474909.db2.gz BLNPYWNTTIRJNJ-JFIYKMOQSA-N 2 1 362.474 0.296 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001221770176 1225474911 /nfs/dbraw/zinc/47/49/11/1225474911.db2.gz BLNPYWNTTIRJNJ-JFIYKMOQSA-N 2 1 362.474 0.296 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000960527039 1213803453 /nfs/dbraw/zinc/80/34/53/1213803453.db2.gz NBUKDBHGXSFLDK-AQFIFQLPSA-N 2 1 363.462 0.076 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000960527039 1213803455 /nfs/dbraw/zinc/80/34/55/1213803455.db2.gz NBUKDBHGXSFLDK-AQFIFQLPSA-N 2 1 363.462 0.076 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC000960527039 1213803460 /nfs/dbraw/zinc/80/34/60/1213803460.db2.gz NBUKDBHGXSFLDK-AQFIFQLPSA-N 2 1 363.462 0.076 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC000960527039 1213803461 /nfs/dbraw/zinc/80/34/61/1213803461.db2.gz NBUKDBHGXSFLDK-AQFIFQLPSA-N 2 1 363.462 0.076 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001011208275 1213848101 /nfs/dbraw/zinc/84/81/01/1213848101.db2.gz QOGSTBMHZHQZEU-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)O1 ZINC001011322208 1213870883 /nfs/dbraw/zinc/87/08/83/1213870883.db2.gz LYKDEHKSCSVPHX-RHSMWYFYSA-N 2 1 371.441 0.338 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)O1 ZINC001011322208 1213870886 /nfs/dbraw/zinc/87/08/86/1213870886.db2.gz LYKDEHKSCSVPHX-RHSMWYFYSA-N 2 1 371.441 0.338 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418936013 1213927174 /nfs/dbraw/zinc/92/71/74/1213927174.db2.gz BCYPJUGHVODLGB-UZLBHIALSA-N 2 1 358.486 0.978 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813464 1225489340 /nfs/dbraw/zinc/48/93/40/1225489340.db2.gz KFUXJJZDGJLLIH-KBAYOESNSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813464 1225489343 /nfs/dbraw/zinc/48/93/43/1225489343.db2.gz KFUXJJZDGJLLIH-KBAYOESNSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813464 1225489344 /nfs/dbraw/zinc/48/93/44/1225489344.db2.gz KFUXJJZDGJLLIH-KBAYOESNSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817581 1225490511 /nfs/dbraw/zinc/49/05/11/1225490511.db2.gz YXVPZWKFCDZRFC-QLFBSQMISA-N 2 1 364.490 0.302 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817581 1225490516 /nfs/dbraw/zinc/49/05/16/1225490516.db2.gz YXVPZWKFCDZRFC-QLFBSQMISA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817581 1225490518 /nfs/dbraw/zinc/49/05/18/1225490518.db2.gz YXVPZWKFCDZRFC-QLFBSQMISA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817581 1225490521 /nfs/dbraw/zinc/49/05/21/1225490521.db2.gz YXVPZWKFCDZRFC-QLFBSQMISA-N 2 1 364.490 0.302 20 0 FCADMP C[C@H](COCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001221823070 1225495089 /nfs/dbraw/zinc/49/50/89/1225495089.db2.gz DRZNSKCYPYHNTI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H](COCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001221823070 1225495094 /nfs/dbraw/zinc/49/50/94/1225495094.db2.gz DRZNSKCYPYHNTI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC001017489071 1214103274 /nfs/dbraw/zinc/10/32/74/1214103274.db2.gz ORSRYWBTTJMEBK-LZLYRXPVSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001017489071 1214103276 /nfs/dbraw/zinc/10/32/76/1214103276.db2.gz ORSRYWBTTJMEBK-LZLYRXPVSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001017489071 1214103280 /nfs/dbraw/zinc/10/32/80/1214103280.db2.gz ORSRYWBTTJMEBK-LZLYRXPVSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001019031654 1214182327 /nfs/dbraw/zinc/18/23/27/1214182327.db2.gz RVEONQJILGROSF-XOKHGSTOSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001019031654 1214182330 /nfs/dbraw/zinc/18/23/30/1214182330.db2.gz RVEONQJILGROSF-XOKHGSTOSA-N 2 1 360.458 0.195 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001019070589 1214190896 /nfs/dbraw/zinc/19/08/96/1214190896.db2.gz VACJICHNODKZCV-GDBMZVCRSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001019070589 1214190902 /nfs/dbraw/zinc/19/09/02/1214190902.db2.gz VACJICHNODKZCV-GDBMZVCRSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862642 1225510895 /nfs/dbraw/zinc/51/08/95/1225510895.db2.gz HULDDWKJIWVVFA-JFIYKMOQSA-N 2 1 363.506 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@H+]1C ZINC000961598299 1214238679 /nfs/dbraw/zinc/23/86/79/1214238679.db2.gz FZXYLUUEOUISJE-IECFSIQFSA-N 2 1 362.518 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961598299 1214238683 /nfs/dbraw/zinc/23/86/83/1214238683.db2.gz FZXYLUUEOUISJE-IECFSIQFSA-N 2 1 362.518 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961598299 1214238685 /nfs/dbraw/zinc/23/86/85/1214238685.db2.gz FZXYLUUEOUISJE-IECFSIQFSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@H+]1C ZINC000961666009 1214261298 /nfs/dbraw/zinc/26/12/98/1214261298.db2.gz BKFAFULPDYEVGR-MDMSPXHWSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961666009 1214261305 /nfs/dbraw/zinc/26/13/05/1214261305.db2.gz BKFAFULPDYEVGR-MDMSPXHWSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961666009 1214261307 /nfs/dbraw/zinc/26/13/07/1214261307.db2.gz BKFAFULPDYEVGR-MDMSPXHWSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1 ZINC000961665526 1214261674 /nfs/dbraw/zinc/26/16/74/1214261674.db2.gz WRTQGSWHMSUMQD-HSFUPAIVSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)C1 ZINC000961665526 1214261678 /nfs/dbraw/zinc/26/16/78/1214261678.db2.gz WRTQGSWHMSUMQD-HSFUPAIVSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)C1 ZINC000961665526 1214261680 /nfs/dbraw/zinc/26/16/80/1214261680.db2.gz WRTQGSWHMSUMQD-HSFUPAIVSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CC[NH+](CC(=O)N(C)C)C3)CC2)CC[N@H+]1C ZINC001039134203 1214372756 /nfs/dbraw/zinc/37/27/56/1214372756.db2.gz XZBOCIIOMRRQKL-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CC[N@H+](CC(=O)N(C)C)C3)CC2)CC[NH+]1C ZINC001039134203 1214372761 /nfs/dbraw/zinc/37/27/61/1214372761.db2.gz XZBOCIIOMRRQKL-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CC[N@@H+](CC(=O)N(C)C)C3)CC2)CC[NH+]1C ZINC001039134203 1214372765 /nfs/dbraw/zinc/37/27/65/1214372765.db2.gz XZBOCIIOMRRQKL-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001039865042 1214449746 /nfs/dbraw/zinc/44/97/46/1214449746.db2.gz KJRTUHWPEQGHSI-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221921666 1225535821 /nfs/dbraw/zinc/53/58/21/1225535821.db2.gz DQZLRFITPZRUGZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221921666 1225535824 /nfs/dbraw/zinc/53/58/24/1225535824.db2.gz DQZLRFITPZRUGZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221921666 1225535827 /nfs/dbraw/zinc/53/58/27/1225535827.db2.gz DQZLRFITPZRUGZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221921666 1225535828 /nfs/dbraw/zinc/53/58/28/1225535828.db2.gz DQZLRFITPZRUGZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)N2CCC2)CC3)CC[N@H+]1C ZINC001040706675 1214569409 /nfs/dbraw/zinc/56/94/09/1214569409.db2.gz YWVGTZGDXSQPCW-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944981 1225545973 /nfs/dbraw/zinc/54/59/73/1225545973.db2.gz DDBWXSIHLOGGSC-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944981 1225545975 /nfs/dbraw/zinc/54/59/75/1225545975.db2.gz DDBWXSIHLOGGSC-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221944981 1225545977 /nfs/dbraw/zinc/54/59/77/1225545977.db2.gz DDBWXSIHLOGGSC-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221944981 1225545984 /nfs/dbraw/zinc/54/59/84/1225545984.db2.gz DDBWXSIHLOGGSC-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221950675 1225550377 /nfs/dbraw/zinc/55/03/77/1225550377.db2.gz SKOGOWCILYZPGQ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945140 1225547011 /nfs/dbraw/zinc/54/70/11/1225547011.db2.gz GMBQVZXLJCKELL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945140 1225547016 /nfs/dbraw/zinc/54/70/16/1225547016.db2.gz GMBQVZXLJCKELL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945140 1225547021 /nfs/dbraw/zinc/54/70/21/1225547021.db2.gz GMBQVZXLJCKELL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945140 1225547024 /nfs/dbraw/zinc/54/70/24/1225547024.db2.gz GMBQVZXLJCKELL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221968525 1225556576 /nfs/dbraw/zinc/55/65/76/1225556576.db2.gz RAMQADYHRQTHCQ-KZNAEPCWSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221968525 1225556581 /nfs/dbraw/zinc/55/65/81/1225556581.db2.gz RAMQADYHRQTHCQ-KZNAEPCWSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221968525 1225556588 /nfs/dbraw/zinc/55/65/88/1225556588.db2.gz RAMQADYHRQTHCQ-KZNAEPCWSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nnnn2C)C3)CC[N@H+]1C ZINC000963823369 1214859030 /nfs/dbraw/zinc/85/90/30/1214859030.db2.gz HHAYTROOGKSOJP-YPFGQOJWSA-N 2 1 361.494 0.457 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000964214109 1214916139 /nfs/dbraw/zinc/91/61/39/1214916139.db2.gz SVTCGHGPQPPMKP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000964214109 1214916140 /nfs/dbraw/zinc/91/61/40/1214916140.db2.gz SVTCGHGPQPPMKP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000964214109 1214916142 /nfs/dbraw/zinc/91/61/42/1214916142.db2.gz SVTCGHGPQPPMKP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000964214688 1214917208 /nfs/dbraw/zinc/91/72/08/1214917208.db2.gz XMHRMTUFFGSLKN-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964925227 1215005630 /nfs/dbraw/zinc/00/56/30/1215005630.db2.gz MGVLYGYGLWZTDL-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(CC(=O)NC3CCOCC3)C[C@H]21 ZINC001222050127 1225591228 /nfs/dbraw/zinc/59/12/28/1225591228.db2.gz TXGALSOOBRTKHR-NVXWUHKLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001056106015 1215948519 /nfs/dbraw/zinc/94/85/19/1215948519.db2.gz RKYWTMGCUBIOOT-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455686 1215972791 /nfs/dbraw/zinc/97/27/91/1215972791.db2.gz GWZVHVNBOYKCPP-QBPKDAKJSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455686 1215972795 /nfs/dbraw/zinc/97/27/95/1215972795.db2.gz GWZVHVNBOYKCPP-QBPKDAKJSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+]([C@H]4CCCNC4=O)CC3)CC2)CC[N@H+]1C ZINC001000162105 1216013901 /nfs/dbraw/zinc/01/39/01/1216013901.db2.gz UHQPMDJQWMEKBS-OIISXLGYSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)CC[N@@H+]1C ZINC001222708218 1225647030 /nfs/dbraw/zinc/64/70/30/1225647030.db2.gz RNRNBJIZISODSZ-DDBAPUKQSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)CC[N@H+]1C ZINC001222708218 1225647032 /nfs/dbraw/zinc/64/70/32/1225647032.db2.gz RNRNBJIZISODSZ-DDBAPUKQSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)CC[NH+]1C ZINC001222708218 1225647036 /nfs/dbraw/zinc/64/70/36/1225647036.db2.gz RNRNBJIZISODSZ-DDBAPUKQSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)CC[NH+]1C ZINC001222708218 1225647041 /nfs/dbraw/zinc/64/70/41/1225647041.db2.gz RNRNBJIZISODSZ-DDBAPUKQSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841922 1225656194 /nfs/dbraw/zinc/65/61/94/1225656194.db2.gz GLUXUSYRGNHLQO-KBXCAEBGSA-N 2 1 361.446 0.632 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnn(C)c3)CC2)O1 ZINC001050336217 1216308675 /nfs/dbraw/zinc/30/86/75/1216308675.db2.gz JKGLZSQTGSCIQZ-JOCBIADPSA-N 2 1 363.506 0.904 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnn(C)c3)CC2)O1 ZINC001050336217 1216308680 /nfs/dbraw/zinc/30/86/80/1216308680.db2.gz JKGLZSQTGSCIQZ-JOCBIADPSA-N 2 1 363.506 0.904 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1)C1CC1 ZINC001222892926 1225663133 /nfs/dbraw/zinc/66/31/33/1225663133.db2.gz UREACRWFFOOBCL-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050562604 1216336286 /nfs/dbraw/zinc/33/62/86/1216336286.db2.gz CNAVIKDSHRJDCQ-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050562604 1216336291 /nfs/dbraw/zinc/33/62/91/1216336291.db2.gz CNAVIKDSHRJDCQ-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057587203 1216362546 /nfs/dbraw/zinc/36/25/46/1216362546.db2.gz AEAHUNSEBIJPQU-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057587203 1216362551 /nfs/dbraw/zinc/36/25/51/1216362551.db2.gz AEAHUNSEBIJPQU-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057587203 1216362557 /nfs/dbraw/zinc/36/25/57/1216362557.db2.gz AEAHUNSEBIJPQU-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976977 1225670927 /nfs/dbraw/zinc/67/09/27/1225670927.db2.gz ZYGRMUBCSQKWCK-NJAFHUGGSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976977 1225670929 /nfs/dbraw/zinc/67/09/29/1225670929.db2.gz ZYGRMUBCSQKWCK-NJAFHUGGSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976977 1225670932 /nfs/dbraw/zinc/67/09/32/1225670932.db2.gz ZYGRMUBCSQKWCK-NJAFHUGGSA-N 2 1 362.518 0.920 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051625251 1216469294 /nfs/dbraw/zinc/46/92/94/1216469294.db2.gz XLFMZDPNCFCIGY-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1ccncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681277 1216473776 /nfs/dbraw/zinc/47/37/76/1216473776.db2.gz VRNWTSXWUWEJLA-BPQIPLTHSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1ccncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681277 1216473779 /nfs/dbraw/zinc/47/37/79/1216473779.db2.gz VRNWTSXWUWEJLA-BPQIPLTHSA-N 2 1 362.474 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001051678909 1216474906 /nfs/dbraw/zinc/47/49/06/1216474906.db2.gz FOLPQKJGIVXENX-KBRIMQKVSA-N 2 1 366.437 0.257 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001051678909 1216474909 /nfs/dbraw/zinc/47/49/09/1216474909.db2.gz FOLPQKJGIVXENX-KBRIMQKVSA-N 2 1 366.437 0.257 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cccc(F)c3)C2)O1 ZINC001051680012 1216474990 /nfs/dbraw/zinc/47/49/90/1216474990.db2.gz JRNKSSNMUDDPRS-ZTFGCOKTSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cccc(F)c3)C2)O1 ZINC001051680012 1216474999 /nfs/dbraw/zinc/47/49/99/1216474999.db2.gz JRNKSSNMUDDPRS-ZTFGCOKTSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC001057739122 1216528931 /nfs/dbraw/zinc/52/89/31/1216528931.db2.gz MTYRRVAJTLRYLG-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1C ZINC001057745793 1216536202 /nfs/dbraw/zinc/53/62/02/1216536202.db2.gz AUKNFHLWNNCZAP-YESZJQIVSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001057745793 1216536207 /nfs/dbraw/zinc/53/62/07/1216536207.db2.gz AUKNFHLWNNCZAP-YESZJQIVSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001057745793 1216536209 /nfs/dbraw/zinc/53/62/09/1216536209.db2.gz AUKNFHLWNNCZAP-YESZJQIVSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001057746307 1216537359 /nfs/dbraw/zinc/53/73/59/1216537359.db2.gz RKTUWRJYNNEUTB-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489215 1216561789 /nfs/dbraw/zinc/56/17/89/1216561789.db2.gz MYBBXMGXHRNGLX-FHLIZLRMSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489215 1216561792 /nfs/dbraw/zinc/56/17/92/1216561792.db2.gz MYBBXMGXHRNGLX-FHLIZLRMSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489215 1216561797 /nfs/dbraw/zinc/56/17/97/1216561797.db2.gz MYBBXMGXHRNGLX-FHLIZLRMSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489215 1216561803 /nfs/dbraw/zinc/56/18/03/1216561803.db2.gz MYBBXMGXHRNGLX-FHLIZLRMSA-N 2 1 363.506 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1=O ZINC000827320073 1216586403 /nfs/dbraw/zinc/58/64/03/1216586403.db2.gz QQSSZOKDTIMXLN-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1=O ZINC000827320073 1216586409 /nfs/dbraw/zinc/58/64/09/1216586409.db2.gz QQSSZOKDTIMXLN-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC000827320073 1216586414 /nfs/dbraw/zinc/58/64/14/1216586414.db2.gz QQSSZOKDTIMXLN-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057942574 1216606245 /nfs/dbraw/zinc/60/62/45/1216606245.db2.gz MANDMEYGIKKDJP-ZIAGYGMSSA-N 2 1 365.478 0.181 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000827539819 1216628305 /nfs/dbraw/zinc/62/83/05/1216628305.db2.gz NFSUMWCXTSGGHB-OAHLLOKOSA-N 2 1 366.429 0.849 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827706339 1216643098 /nfs/dbraw/zinc/64/30/98/1216643098.db2.gz LMIUJXFLOJLZKT-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001058252282 1216657782 /nfs/dbraw/zinc/65/77/82/1216657782.db2.gz CPOCZTMERYDRSI-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001058252282 1216657786 /nfs/dbraw/zinc/65/77/86/1216657786.db2.gz CPOCZTMERYDRSI-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001058252282 1216657790 /nfs/dbraw/zinc/65/77/90/1216657790.db2.gz CPOCZTMERYDRSI-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223174709 1225688215 /nfs/dbraw/zinc/68/82/15/1225688215.db2.gz PSILCIGMHHKXEG-HHXXYDBFSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223174709 1225688218 /nfs/dbraw/zinc/68/82/18/1225688218.db2.gz PSILCIGMHHKXEG-HHXXYDBFSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067712521 1216695388 /nfs/dbraw/zinc/69/53/88/1216695388.db2.gz VUEHQOIAGPXTBX-BRWVUGGUSA-N 2 1 370.538 0.599 20 0 FCADMP CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067712521 1216695389 /nfs/dbraw/zinc/69/53/89/1216695389.db2.gz VUEHQOIAGPXTBX-BRWVUGGUSA-N 2 1 370.538 0.599 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21)NCC1CC1 ZINC001223221860 1225690878 /nfs/dbraw/zinc/69/08/78/1225690878.db2.gz IAVCKYDJYVKNLF-SJORKVTESA-N 2 1 359.474 0.722 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCO2 ZINC001068401810 1216731303 /nfs/dbraw/zinc/73/13/03/1216731303.db2.gz SRJINIISNAITLD-HZPDHXFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401810 1216731306 /nfs/dbraw/zinc/73/13/06/1216731306.db2.gz SRJINIISNAITLD-HZPDHXFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401810 1216731309 /nfs/dbraw/zinc/73/13/09/1216731309.db2.gz SRJINIISNAITLD-HZPDHXFCSA-N 2 1 366.506 0.107 20 0 FCADMP CCOCC[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276873973 1225691395 /nfs/dbraw/zinc/69/13/95/1225691395.db2.gz AGCOGUXVJFSKPY-GOSISDBHSA-N 2 1 366.550 0.879 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905517 1216832005 /nfs/dbraw/zinc/83/20/05/1216832005.db2.gz BGMAYNGFMPEVQT-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905517 1216832007 /nfs/dbraw/zinc/83/20/07/1216832007.db2.gz BGMAYNGFMPEVQT-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905517 1216832008 /nfs/dbraw/zinc/83/20/08/1216832008.db2.gz BGMAYNGFMPEVQT-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905517 1216832010 /nfs/dbraw/zinc/83/20/10/1216832010.db2.gz BGMAYNGFMPEVQT-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927073 1216847703 /nfs/dbraw/zinc/84/77/03/1216847703.db2.gz HXTBPWRAEDDZQE-OAGGEKHMSA-N 2 1 364.494 0.265 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927073 1216847705 /nfs/dbraw/zinc/84/77/05/1216847705.db2.gz HXTBPWRAEDDZQE-OAGGEKHMSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945060 1216857739 /nfs/dbraw/zinc/85/77/39/1216857739.db2.gz DDIOYXXDFRTFNT-ZACQAIPSSA-N 2 1 366.485 0.957 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945060 1216857742 /nfs/dbraw/zinc/85/77/42/1216857742.db2.gz DDIOYXXDFRTFNT-ZACQAIPSSA-N 2 1 366.485 0.957 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945060 1216857744 /nfs/dbraw/zinc/85/77/44/1216857744.db2.gz DDIOYXXDFRTFNT-ZACQAIPSSA-N 2 1 366.485 0.957 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945205 1216858966 /nfs/dbraw/zinc/85/89/66/1216858966.db2.gz INKZOBQPMLFUTR-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945205 1216858967 /nfs/dbraw/zinc/85/89/67/1216858967.db2.gz INKZOBQPMLFUTR-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945205 1216858970 /nfs/dbraw/zinc/85/89/70/1216858970.db2.gz INKZOBQPMLFUTR-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945205 1216858972 /nfs/dbraw/zinc/85/89/72/1216858972.db2.gz INKZOBQPMLFUTR-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968126 1216874423 /nfs/dbraw/zinc/87/44/23/1216874423.db2.gz IDVVRSSYCDCJOY-OAGGEKHMSA-N 2 1 362.478 0.283 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968126 1216874424 /nfs/dbraw/zinc/87/44/24/1216874424.db2.gz IDVVRSSYCDCJOY-OAGGEKHMSA-N 2 1 362.478 0.283 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1)OC ZINC001069980260 1216882085 /nfs/dbraw/zinc/88/20/85/1216882085.db2.gz KZEXGYXRYBFUSI-XHSDSOJGSA-N 2 1 361.450 0.250 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1)OC ZINC001069980260 1216882086 /nfs/dbraw/zinc/88/20/86/1216882086.db2.gz KZEXGYXRYBFUSI-XHSDSOJGSA-N 2 1 361.450 0.250 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987994 1216885326 /nfs/dbraw/zinc/88/53/26/1216885326.db2.gz DHRGHFQRATYNPT-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987994 1216885328 /nfs/dbraw/zinc/88/53/28/1216885328.db2.gz DHRGHFQRATYNPT-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387548 1225702490 /nfs/dbraw/zinc/70/24/90/1225702490.db2.gz GUSSAUNLOKCCKE-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387548 1225702493 /nfs/dbraw/zinc/70/24/93/1225702493.db2.gz GUSSAUNLOKCCKE-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223378478 1225702532 /nfs/dbraw/zinc/70/25/32/1225702532.db2.gz KPRQOWYJIMRNRW-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)[C@H]2C1 ZINC001223431016 1225705596 /nfs/dbraw/zinc/70/55/96/1225705596.db2.gz UCKAAZQCTMMLRI-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H](C)C(C)=O)CC2 ZINC001276899434 1225715427 /nfs/dbraw/zinc/71/54/27/1225715427.db2.gz HRBWBYDIIWIXDH-GOEBONIOSA-N 2 1 367.490 0.629 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912706 1225744697 /nfs/dbraw/zinc/74/46/97/1225744697.db2.gz YJYNQLARYUEZRE-KSZLIROESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912706 1225744698 /nfs/dbraw/zinc/74/46/98/1225744698.db2.gz YJYNQLARYUEZRE-KSZLIROESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912706 1225744699 /nfs/dbraw/zinc/74/46/99/1225744699.db2.gz YJYNQLARYUEZRE-KSZLIROESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912706 1225744703 /nfs/dbraw/zinc/74/47/03/1225744703.db2.gz YJYNQLARYUEZRE-KSZLIROESA-N 2 1 362.518 0.777 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043790103 1217743767 /nfs/dbraw/zinc/74/37/67/1217743767.db2.gz AEINAMUTZSCDRB-RRQGHBQHSA-N 2 1 359.474 0.851 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043790103 1217743769 /nfs/dbraw/zinc/74/37/69/1217743769.db2.gz AEINAMUTZSCDRB-RRQGHBQHSA-N 2 1 359.474 0.851 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246092 1225767612 /nfs/dbraw/zinc/76/76/12/1225767612.db2.gz UUHAYIGMFVALAA-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246092 1225767615 /nfs/dbraw/zinc/76/76/15/1225767615.db2.gz UUHAYIGMFVALAA-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246092 1225767620 /nfs/dbraw/zinc/76/76/20/1225767620.db2.gz UUHAYIGMFVALAA-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246092 1225767626 /nfs/dbraw/zinc/76/76/26/1225767626.db2.gz UUHAYIGMFVALAA-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245998 1225767721 /nfs/dbraw/zinc/76/77/21/1225767721.db2.gz PNPZQVYBAQHHQF-SJORKVTESA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245998 1225767725 /nfs/dbraw/zinc/76/77/25/1225767725.db2.gz PNPZQVYBAQHHQF-SJORKVTESA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245998 1225767727 /nfs/dbraw/zinc/76/77/27/1225767727.db2.gz PNPZQVYBAQHHQF-SJORKVTESA-N 2 1 367.538 0.957 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21)NCC1CCC1 ZINC001224297762 1225771259 /nfs/dbraw/zinc/77/12/59/1225771259.db2.gz DJTXBPDSDQZSCW-SJORKVTESA-N 2 1 359.474 0.722 20 0 FCADMP C[C@H](CO)C[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276973547 1225780841 /nfs/dbraw/zinc/78/08/41/1225780841.db2.gz DVYGFXQDIVIBLY-AZUAARDMSA-N 2 1 366.550 0.709 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1cnc(C(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000900695921 1218025841 /nfs/dbraw/zinc/02/58/41/1218025841.db2.gz SXWNVUQBZAOTIA-ZIAGYGMSSA-N 2 1 360.462 0.125 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001046414522 1218035171 /nfs/dbraw/zinc/03/51/71/1218035171.db2.gz JACZAMFHKSDIKH-MDZRGWNJSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001046414522 1218035177 /nfs/dbraw/zinc/03/51/77/1218035177.db2.gz JACZAMFHKSDIKH-MDZRGWNJSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001046414522 1218035182 /nfs/dbraw/zinc/03/51/82/1218035182.db2.gz JACZAMFHKSDIKH-MDZRGWNJSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001046414522 1218035186 /nfs/dbraw/zinc/03/51/86/1218035186.db2.gz JACZAMFHKSDIKH-MDZRGWNJSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1cccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001047426901 1218141868 /nfs/dbraw/zinc/14/18/68/1218141868.db2.gz MAJKJIXEZMAJJC-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1cccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001047426901 1218141870 /nfs/dbraw/zinc/14/18/70/1218141870.db2.gz MAJKJIXEZMAJJC-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001047426901 1218141875 /nfs/dbraw/zinc/14/18/75/1218141875.db2.gz MAJKJIXEZMAJJC-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001047426901 1218141878 /nfs/dbraw/zinc/14/18/78/1218141878.db2.gz MAJKJIXEZMAJJC-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277012343 1225799466 /nfs/dbraw/zinc/79/94/66/1225799466.db2.gz UYMDUPPPYUCPJE-IBGZPJMESA-N 2 1 360.458 0.998 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001048529888 1218281882 /nfs/dbraw/zinc/28/18/82/1218281882.db2.gz WHCYJRWKASTXLK-YPLQCARHSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)CC[NH+]1C ZINC001048529888 1218281890 /nfs/dbraw/zinc/28/18/90/1218281890.db2.gz WHCYJRWKASTXLK-YPLQCARHSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)CC[NH+]1C ZINC001048529888 1218281896 /nfs/dbraw/zinc/28/18/96/1218281896.db2.gz WHCYJRWKASTXLK-YPLQCARHSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048824912 1218321653 /nfs/dbraw/zinc/32/16/53/1218321653.db2.gz JUVRSDVJIZLFNK-FTWQHDNSSA-N 2 1 365.518 0.504 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827708 1218322917 /nfs/dbraw/zinc/32/29/17/1218322917.db2.gz CKAYTUNRMLFFRY-UYTYNIKBSA-N 2 1 362.518 0.726 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827708 1218322921 /nfs/dbraw/zinc/32/29/21/1218322921.db2.gz CKAYTUNRMLFFRY-UYTYNIKBSA-N 2 1 362.518 0.726 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827708 1218322925 /nfs/dbraw/zinc/32/29/25/1218322925.db2.gz CKAYTUNRMLFFRY-UYTYNIKBSA-N 2 1 362.518 0.726 20 0 FCADMP O=C1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1CCN1CCOCC1 ZINC000903122549 1218365958 /nfs/dbraw/zinc/36/59/58/1218365958.db2.gz ZVESHSNIPULISC-PUERQQPESA-N 2 1 362.518 0.667 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225526123 1225815099 /nfs/dbraw/zinc/81/50/99/1225815099.db2.gz XXCSMCUEPZHCNH-BRWVUGGUSA-N 2 1 368.522 0.639 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225526123 1225815100 /nfs/dbraw/zinc/81/51/00/1225815100.db2.gz XXCSMCUEPZHCNH-BRWVUGGUSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075264 1218378880 /nfs/dbraw/zinc/37/88/80/1218378880.db2.gz NGSDFXCRISMZJR-NLNMYJFZSA-N 2 1 370.497 0.596 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075264 1218378885 /nfs/dbraw/zinc/37/88/85/1218378885.db2.gz NGSDFXCRISMZJR-NLNMYJFZSA-N 2 1 370.497 0.596 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075264 1218378892 /nfs/dbraw/zinc/37/88/92/1218378892.db2.gz NGSDFXCRISMZJR-NLNMYJFZSA-N 2 1 370.497 0.596 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001096548693 1218476218 /nfs/dbraw/zinc/47/62/18/1218476218.db2.gz MSDMMLPQYLWYLT-IKGGRYGDSA-N 2 1 359.474 0.926 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001096548693 1218476227 /nfs/dbraw/zinc/47/62/27/1218476227.db2.gz MSDMMLPQYLWYLT-IKGGRYGDSA-N 2 1 359.474 0.926 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001096548430 1218476846 /nfs/dbraw/zinc/47/68/46/1218476846.db2.gz CJWASKKURWQAFJ-NCOADZHNSA-N 2 1 358.446 0.171 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001096548430 1218476858 /nfs/dbraw/zinc/47/68/58/1218476858.db2.gz CJWASKKURWQAFJ-NCOADZHNSA-N 2 1 358.446 0.171 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000903741742 1218511759 /nfs/dbraw/zinc/51/17/59/1218511759.db2.gz SIAIXYATZJTMGY-KSZLIROESA-N 3 1 364.534 0.725 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739988 1218512600 /nfs/dbraw/zinc/51/26/00/1218512600.db2.gz RCCJKFWFOKMCQX-UYAOXDASSA-N 3 1 364.534 0.631 20 0 FCADMP C[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756285 1218517040 /nfs/dbraw/zinc/51/70/40/1218517040.db2.gz PTIZHXSUVUHZRW-JKSUJKDBSA-N 2 1 371.489 0.794 20 0 FCADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cnn1C ZINC000903935089 1218567790 /nfs/dbraw/zinc/56/77/90/1218567790.db2.gz MKKKGDFHKJZKCV-OAHLLOKOSA-N 2 1 355.486 0.932 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001097319031 1218772852 /nfs/dbraw/zinc/77/28/52/1218772852.db2.gz ZTURFUFWHGUOJA-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001097319031 1218772863 /nfs/dbraw/zinc/77/28/63/1218772863.db2.gz ZTURFUFWHGUOJA-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550666 1218820371 /nfs/dbraw/zinc/82/03/71/1218820371.db2.gz BEUQNGWMBGKQKW-SIXLDLHFSA-N 2 1 353.426 0.948 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550666 1218820372 /nfs/dbraw/zinc/82/03/72/1218820372.db2.gz BEUQNGWMBGKQKW-SIXLDLHFSA-N 2 1 353.426 0.948 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550665 1218820494 /nfs/dbraw/zinc/82/04/94/1218820494.db2.gz BEUQNGWMBGKQKW-MXASKKJJSA-N 2 1 353.426 0.948 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550665 1218820495 /nfs/dbraw/zinc/82/04/95/1218820495.db2.gz BEUQNGWMBGKQKW-MXASKKJJSA-N 2 1 353.426 0.948 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581026 1218824091 /nfs/dbraw/zinc/82/40/91/1218824091.db2.gz MMNFJUYQTOHASP-NZPGVSJUSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581026 1218824093 /nfs/dbraw/zinc/82/40/93/1218824093.db2.gz MMNFJUYQTOHASP-NZPGVSJUSA-N 2 1 358.486 1.000 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111453937 1218837564 /nfs/dbraw/zinc/83/75/64/1218837564.db2.gz CPJVNFYOXWGLOT-WCVJEAGWSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111453937 1218837567 /nfs/dbraw/zinc/83/75/67/1218837567.db2.gz CPJVNFYOXWGLOT-WCVJEAGWSA-N 2 1 362.474 0.389 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C3)n1 ZINC001097854065 1218852773 /nfs/dbraw/zinc/85/27/73/1218852773.db2.gz UHEKSGYBHXFJLL-PILAGYSTSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C3)n1 ZINC001097854065 1218852774 /nfs/dbraw/zinc/85/27/74/1218852774.db2.gz UHEKSGYBHXFJLL-PILAGYSTSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C3)n1 ZINC001097854065 1218852775 /nfs/dbraw/zinc/85/27/75/1218852775.db2.gz UHEKSGYBHXFJLL-PILAGYSTSA-N 2 1 360.506 0.958 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854688 1218853400 /nfs/dbraw/zinc/85/34/00/1218853400.db2.gz PWCQUIMUPBQVFE-PILAGYSTSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854688 1218853403 /nfs/dbraw/zinc/85/34/03/1218853403.db2.gz PWCQUIMUPBQVFE-PILAGYSTSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154939 1218899467 /nfs/dbraw/zinc/89/94/67/1218899467.db2.gz YVAVWUYWFFPSJC-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154939 1218899469 /nfs/dbraw/zinc/89/94/69/1218899469.db2.gz YVAVWUYWFFPSJC-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154939 1218899470 /nfs/dbraw/zinc/89/94/70/1218899470.db2.gz YVAVWUYWFFPSJC-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154939 1218899471 /nfs/dbraw/zinc/89/94/71/1218899471.db2.gz YVAVWUYWFFPSJC-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)C1CCC1 ZINC001226830551 1225855204 /nfs/dbraw/zinc/85/52/04/1225855204.db2.gz IVXPEIAYWOJSDX-HUUCEWRRSA-N 2 1 365.478 0.040 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357551 1219033127 /nfs/dbraw/zinc/03/31/27/1219033127.db2.gz SJBYBVLHFODDHE-WCXIOVBPSA-N 2 1 364.534 0.974 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357551 1219033130 /nfs/dbraw/zinc/03/31/30/1219033130.db2.gz SJBYBVLHFODDHE-WCXIOVBPSA-N 2 1 364.534 0.974 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357551 1219033133 /nfs/dbraw/zinc/03/31/33/1219033133.db2.gz SJBYBVLHFODDHE-WCXIOVBPSA-N 2 1 364.534 0.974 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001227165326 1225865343 /nfs/dbraw/zinc/86/53/43/1225865343.db2.gz LUSPLTXIJBJIIW-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227091090 1225863337 /nfs/dbraw/zinc/86/33/37/1225863337.db2.gz KXHJMPOCPDNGIC-KFWWJZLASA-N 2 1 367.494 0.333 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055577818 1219085570 /nfs/dbraw/zinc/08/55/70/1219085570.db2.gz BNJIQTDTCBYYNX-RYQLBKOJSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ncc[nH]3)CC2)CC[N@H+]1C ZINC001055583452 1219087600 /nfs/dbraw/zinc/08/76/00/1219087600.db2.gz OHVGUNFGVGJEJY-UKRRQHHQSA-N 2 1 362.478 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cc[nH]c3)CC2)CC[N@H+]1C ZINC001055589972 1219091133 /nfs/dbraw/zinc/09/11/33/1219091133.db2.gz WXWCNERNSNLNQO-RHSMWYFYSA-N 2 1 361.490 0.665 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000804060025 1219114086 /nfs/dbraw/zinc/11/40/86/1219114086.db2.gz OWPRIEYPKVTPKS-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061667 1219116017 /nfs/dbraw/zinc/11/60/17/1219116017.db2.gz WBENAPOVEMYVES-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061667 1219116023 /nfs/dbraw/zinc/11/60/23/1219116023.db2.gz WBENAPOVEMYVES-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000804063081 1219118282 /nfs/dbraw/zinc/11/82/82/1219118282.db2.gz PBMAENNTNJHEJX-YESZJQIVSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000804063081 1219118283 /nfs/dbraw/zinc/11/82/83/1219118283.db2.gz PBMAENNTNJHEJX-YESZJQIVSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000804063081 1219118289 /nfs/dbraw/zinc/11/82/89/1219118289.db2.gz PBMAENNTNJHEJX-YESZJQIVSA-N 2 1 364.490 0.099 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070067995 1219131560 /nfs/dbraw/zinc/13/15/60/1219131560.db2.gz AOZBYXHXBPMTBD-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070067995 1219131569 /nfs/dbraw/zinc/13/15/69/1219131569.db2.gz AOZBYXHXBPMTBD-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070158639 1219246463 /nfs/dbraw/zinc/24/64/63/1219246463.db2.gz TWOHHHWERVDQLE-KFWWJZLASA-N 2 1 368.432 0.759 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158659 1219246584 /nfs/dbraw/zinc/24/65/84/1219246584.db2.gz UMKKCKWIUMXWHW-KURKYZTESA-N 2 1 354.458 0.914 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070197194 1219287713 /nfs/dbraw/zinc/28/77/13/1219287713.db2.gz RYBJGGYDYOLVQB-FPCVCCKLSA-N 2 1 373.461 0.456 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070197194 1219287715 /nfs/dbraw/zinc/28/77/15/1219287715.db2.gz RYBJGGYDYOLVQB-FPCVCCKLSA-N 2 1 373.461 0.456 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)CC1 ZINC001070267416 1219335335 /nfs/dbraw/zinc/33/53/35/1219335335.db2.gz CAPSXTYJOVAODG-MSOLQXFVSA-N 2 1 369.473 0.557 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001070354772 1219392429 /nfs/dbraw/zinc/39/24/29/1219392429.db2.gz VAVDXPRUCIAMHH-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001070354772 1219392434 /nfs/dbraw/zinc/39/24/34/1219392434.db2.gz VAVDXPRUCIAMHH-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001070354772 1219392436 /nfs/dbraw/zinc/39/24/36/1219392436.db2.gz VAVDXPRUCIAMHH-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382548 1219407310 /nfs/dbraw/zinc/40/73/10/1219407310.db2.gz FJSPABDYHDDXIC-JZXOWHBKSA-N 2 1 366.506 0.060 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070475279 1219426319 /nfs/dbraw/zinc/42/63/19/1219426319.db2.gz LQLZPWNNJGCJKB-UHOSZYNNSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2c2cncn2C)cn1 ZINC001070629156 1219493490 /nfs/dbraw/zinc/49/34/90/1219493490.db2.gz BKVALLQWXMTTRS-ZACQAIPSSA-N 2 1 371.489 0.332 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655382 1219510483 /nfs/dbraw/zinc/51/04/83/1219510483.db2.gz JPHINJGMGRGDSF-INMHGKMJSA-N 2 1 359.478 0.151 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688678 1219526443 /nfs/dbraw/zinc/52/64/43/1219526443.db2.gz RRSFFXVHBHYNMS-BZUAXINKSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070718176 1219540927 /nfs/dbraw/zinc/54/09/27/1219540927.db2.gz QQOIYLLCABLYNT-GVDBMIGSSA-N 2 1 371.489 0.153 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)CC2 ZINC001228215150 1225900909 /nfs/dbraw/zinc/90/09/09/1225900909.db2.gz AOOVBMZRIQZUDQ-KBAYOESNSA-N 2 1 364.490 0.780 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001228265828 1225906080 /nfs/dbraw/zinc/90/60/80/1225906080.db2.gz ZKEKCBODABZJMB-ZACQAIPSSA-N 2 1 368.522 0.584 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001071103912 1219607727 /nfs/dbraw/zinc/60/77/27/1219607727.db2.gz FVBJETWNDPQOBZ-VMGRFDJRSA-N 2 1 363.462 0.051 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCN(C)C2=O)C3)CC[N@H+]1C ZINC001072755153 1219621386 /nfs/dbraw/zinc/62/13/86/1219621386.db2.gz WMQOQDKHYUMRSR-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC001072755153 1219621388 /nfs/dbraw/zinc/62/13/88/1219621388.db2.gz WMQOQDKHYUMRSR-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC001072755153 1219621389 /nfs/dbraw/zinc/62/13/89/1219621389.db2.gz WMQOQDKHYUMRSR-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001098225193 1219744297 /nfs/dbraw/zinc/74/42/97/1219744297.db2.gz YLDVZQNYMISGNT-TWMKSMIVSA-N 2 1 359.474 0.061 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001098446715 1219783544 /nfs/dbraw/zinc/78/35/44/1219783544.db2.gz KDRIMCMMUHUZAE-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001098446715 1219783550 /nfs/dbraw/zinc/78/35/50/1219783550.db2.gz KDRIMCMMUHUZAE-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)C1 ZINC001098446715 1219783554 /nfs/dbraw/zinc/78/35/54/1219783554.db2.gz KDRIMCMMUHUZAE-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)C1 ZINC001098446715 1219783557 /nfs/dbraw/zinc/78/35/57/1219783557.db2.gz KDRIMCMMUHUZAE-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[NH+]3C)C2)cc1=O ZINC001098759734 1219821006 /nfs/dbraw/zinc/82/10/06/1219821006.db2.gz LBMGQJOLRTVBTF-ZWOKBUDYSA-N 2 1 358.486 0.950 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[NH+]3C)C2)cc1=O ZINC001098759734 1219821009 /nfs/dbraw/zinc/82/10/09/1219821009.db2.gz LBMGQJOLRTVBTF-ZWOKBUDYSA-N 2 1 358.486 0.950 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001098759734 1219821012 /nfs/dbraw/zinc/82/10/12/1219821012.db2.gz LBMGQJOLRTVBTF-ZWOKBUDYSA-N 2 1 358.486 0.950 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1=O ZINC001098759734 1219821013 /nfs/dbraw/zinc/82/10/13/1219821013.db2.gz LBMGQJOLRTVBTF-ZWOKBUDYSA-N 2 1 358.486 0.950 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)CC[N@H+]1C ZINC001098845198 1219839659 /nfs/dbraw/zinc/83/96/59/1219839659.db2.gz RCGVAXHUNOPFOH-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)CC[NH+]1C ZINC001098845198 1219839661 /nfs/dbraw/zinc/83/96/61/1219839661.db2.gz RCGVAXHUNOPFOH-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)CC[NH+]1C ZINC001098845198 1219839662 /nfs/dbraw/zinc/83/96/62/1219839662.db2.gz RCGVAXHUNOPFOH-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)c1ccc2c[nH+]cn2c1 ZINC001098944148 1219870856 /nfs/dbraw/zinc/87/08/56/1219870856.db2.gz BLSSEOMMBSKHRP-QOKNQOGYSA-N 2 1 353.426 0.807 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)c1ccc2c[nH+]cn2c1 ZINC001098944147 1219870986 /nfs/dbraw/zinc/87/09/86/1219870986.db2.gz BLSSEOMMBSKHRP-GMBSWORKSA-N 2 1 353.426 0.807 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001098945631 1219871476 /nfs/dbraw/zinc/87/14/76/1219871476.db2.gz CZMNBSWVXHKYDG-VHFSOBRXSA-N 2 1 371.485 0.621 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001098945631 1219871478 /nfs/dbraw/zinc/87/14/78/1219871478.db2.gz CZMNBSWVXHKYDG-VHFSOBRXSA-N 2 1 371.485 0.621 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098945809 1219871958 /nfs/dbraw/zinc/87/19/58/1219871958.db2.gz KWGKQGXUZFUSDI-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098945809 1219871959 /nfs/dbraw/zinc/87/19/59/1219871959.db2.gz KWGKQGXUZFUSDI-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)CC1 ZINC001099009507 1219887419 /nfs/dbraw/zinc/88/74/19/1219887419.db2.gz BPXXNPAMXPZCJF-LPHOPBHVSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)CC1 ZINC001099009100 1219887854 /nfs/dbraw/zinc/88/78/54/1219887854.db2.gz RDZWBHAQIGHPMK-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099029663 1219892213 /nfs/dbraw/zinc/89/22/13/1219892213.db2.gz HYOPRXIQNQWREX-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099029663 1219892215 /nfs/dbraw/zinc/89/22/15/1219892215.db2.gz HYOPRXIQNQWREX-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099029663 1219892217 /nfs/dbraw/zinc/89/22/17/1219892217.db2.gz HYOPRXIQNQWREX-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001099101192 1219912989 /nfs/dbraw/zinc/91/29/89/1219912989.db2.gz MTLIBYXARIRKFS-QKLQHJQFSA-N 2 1 362.518 0.966 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159531 1219934952 /nfs/dbraw/zinc/93/49/52/1219934952.db2.gz HNLYCMUUFSNOPT-DOXZYTNZSA-N 2 1 362.474 0.058 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159531 1219934956 /nfs/dbraw/zinc/93/49/56/1219934956.db2.gz HNLYCMUUFSNOPT-DOXZYTNZSA-N 2 1 362.474 0.058 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159531 1219934960 /nfs/dbraw/zinc/93/49/60/1219934960.db2.gz HNLYCMUUFSNOPT-DOXZYTNZSA-N 2 1 362.474 0.058 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001099162651 1219936160 /nfs/dbraw/zinc/93/61/60/1219936160.db2.gz OKKRRQNOFIDKBO-ZWOKBUDYSA-N 2 1 362.518 0.969 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001099162651 1219936164 /nfs/dbraw/zinc/93/61/64/1219936164.db2.gz OKKRRQNOFIDKBO-ZWOKBUDYSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001099436377 1219995550 /nfs/dbraw/zinc/99/55/50/1219995550.db2.gz OBUIHMDHAUZXCI-FSZRXZPDSA-N 2 1 361.494 0.269 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1)[NH+](C)C ZINC001099449392 1220001639 /nfs/dbraw/zinc/00/16/39/1220001639.db2.gz IPGPMKFGVFSYOV-ZVZYQTTQSA-N 2 1 363.510 0.515 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001099496154 1220014317 /nfs/dbraw/zinc/01/43/17/1220014317.db2.gz DFCRIIRQIFQOHA-YRNRMSPPSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncnn3C)C2)C1 ZINC001099500557 1220017086 /nfs/dbraw/zinc/01/70/86/1220017086.db2.gz VVCGTGILSXFHSG-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1 ZINC001099536024 1220026994 /nfs/dbraw/zinc/02/69/94/1220026994.db2.gz ZLPSTCOLIVIQTB-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278421 1220264508 /nfs/dbraw/zinc/26/45/08/1220264508.db2.gz IKYWKAFPNUNMRR-AOIWGVFYSA-N 2 1 365.518 0.650 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291602 1220272349 /nfs/dbraw/zinc/27/23/49/1220272349.db2.gz TYVZAFXOUQHKPR-AYBZRNKSSA-N 2 1 358.442 0.736 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299287 1220275636 /nfs/dbraw/zinc/27/56/36/1220275636.db2.gz QFXHFGKTJWGXAA-SUMDDJOVSA-N 2 1 358.442 0.736 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CCCC1 ZINC001101314224 1220283096 /nfs/dbraw/zinc/28/30/96/1220283096.db2.gz WLXXBJILSBAYCI-GJYPPUQNSA-N 2 1 362.518 0.920 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342706 1220295243 /nfs/dbraw/zinc/29/52/43/1220295243.db2.gz JDUAKQPGJOUVOZ-GJYPPUQNSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101350010 1220297092 /nfs/dbraw/zinc/29/70/92/1220297092.db2.gz QLPGNKOWHLSGNZ-XLIONFOSSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101362735 1220301675 /nfs/dbraw/zinc/30/16/75/1220301675.db2.gz BIBYDSYXQHNNDI-LBTNJELSSA-N 2 1 367.494 0.082 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418338 1220332554 /nfs/dbraw/zinc/33/25/54/1220332554.db2.gz MPDILFZEJHPQMC-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418338 1220332556 /nfs/dbraw/zinc/33/25/56/1220332556.db2.gz MPDILFZEJHPQMC-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418338 1220332559 /nfs/dbraw/zinc/33/25/59/1220332559.db2.gz MPDILFZEJHPQMC-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431460 1220341298 /nfs/dbraw/zinc/34/12/98/1220341298.db2.gz OWIITUWFVNDAAM-QAPCUYQASA-N 2 1 364.494 0.157 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431460 1220341301 /nfs/dbraw/zinc/34/13/01/1220341301.db2.gz OWIITUWFVNDAAM-QAPCUYQASA-N 2 1 364.494 0.157 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432401 1220341348 /nfs/dbraw/zinc/34/13/48/1220341348.db2.gz QDHVTYJRSRVMCI-APWZRJJASA-N 2 1 368.522 0.213 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432290 1220341903 /nfs/dbraw/zinc/34/19/03/1220341903.db2.gz KQDJTNNJBAZYCE-MDZRGWNJSA-N 2 1 368.522 0.389 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436669 1220344315 /nfs/dbraw/zinc/34/43/15/1220344315.db2.gz CFYPRLCXMHYCRU-IYOUNJFTSA-N 2 1 367.494 0.082 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001101474424 1220366772 /nfs/dbraw/zinc/36/67/72/1220366772.db2.gz YLWPUKXKVVIEEE-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478653 1220368475 /nfs/dbraw/zinc/36/84/75/1220368475.db2.gz YTGIDVMLRYKUKI-LMMKCTJWSA-N 2 1 371.522 0.131 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478653 1220368479 /nfs/dbraw/zinc/36/84/79/1220368479.db2.gz YTGIDVMLRYKUKI-LMMKCTJWSA-N 2 1 371.522 0.131 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478653 1220368482 /nfs/dbraw/zinc/36/84/82/1220368482.db2.gz YTGIDVMLRYKUKI-LMMKCTJWSA-N 2 1 371.522 0.131 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047529 1220476795 /nfs/dbraw/zinc/47/67/95/1220476795.db2.gz KJYFSHPPEBTBSL-LSBZLQRGSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051804 1220479508 /nfs/dbraw/zinc/47/95/08/1220479508.db2.gz NTGCQXFBOYZFFI-JFIYKMOQSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051804 1220479511 /nfs/dbraw/zinc/47/95/11/1220479511.db2.gz NTGCQXFBOYZFFI-JFIYKMOQSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051804 1220479514 /nfs/dbraw/zinc/47/95/14/1220479514.db2.gz NTGCQXFBOYZFFI-JFIYKMOQSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108662 1220499423 /nfs/dbraw/zinc/49/94/23/1220499423.db2.gz WQPINNXFWPELEK-BFYDXBDKSA-N 2 1 359.474 0.481 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108623 1220499730 /nfs/dbraw/zinc/49/97/30/1220499730.db2.gz VBTXTPBMSKUHJA-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108623 1220499734 /nfs/dbraw/zinc/49/97/34/1220499734.db2.gz VBTXTPBMSKUHJA-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157983 1220529823 /nfs/dbraw/zinc/52/98/23/1220529823.db2.gz XVVRTZSTPZLWRJ-CKEIUWERSA-N 2 1 359.474 0.335 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157983 1220529831 /nfs/dbraw/zinc/52/98/31/1220529831.db2.gz XVVRTZSTPZLWRJ-CKEIUWERSA-N 2 1 359.474 0.335 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185600 1220540566 /nfs/dbraw/zinc/54/05/66/1220540566.db2.gz KOGPGTXVIOMRGU-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185600 1220540572 /nfs/dbraw/zinc/54/05/72/1220540572.db2.gz KOGPGTXVIOMRGU-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290723 1220576417 /nfs/dbraw/zinc/57/64/17/1220576417.db2.gz SJHWTOSDRLYMSG-HUUCEWRRSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320812 1220583607 /nfs/dbraw/zinc/58/36/07/1220583607.db2.gz UPQNJTIHWWUHMV-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370112 1220595500 /nfs/dbraw/zinc/59/55/00/1220595500.db2.gz RHHZKBWXRGEESF-LZLYRXPVSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370112 1220595506 /nfs/dbraw/zinc/59/55/06/1220595506.db2.gz RHHZKBWXRGEESF-LZLYRXPVSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370112 1220595513 /nfs/dbraw/zinc/59/55/13/1220595513.db2.gz RHHZKBWXRGEESF-LZLYRXPVSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102368525 1220596786 /nfs/dbraw/zinc/59/67/86/1220596786.db2.gz YCQIFWMEXKQHJG-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102368525 1220596792 /nfs/dbraw/zinc/59/67/92/1220596792.db2.gz YCQIFWMEXKQHJG-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102368525 1220596799 /nfs/dbraw/zinc/59/67/99/1220596799.db2.gz YCQIFWMEXKQHJG-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369704 1220597034 /nfs/dbraw/zinc/59/70/34/1220597034.db2.gz DGONYDJIXWVDQB-GVDBMIGSSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369704 1220597043 /nfs/dbraw/zinc/59/70/43/1220597043.db2.gz DGONYDJIXWVDQB-GVDBMIGSSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369704 1220597050 /nfs/dbraw/zinc/59/70/50/1220597050.db2.gz DGONYDJIXWVDQB-GVDBMIGSSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H](COCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102385037 1220604232 /nfs/dbraw/zinc/60/42/32/1220604232.db2.gz OXARIKRMDPRGSK-FGTMMUONSA-N 2 1 371.522 0.180 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102419839 1220617224 /nfs/dbraw/zinc/61/72/24/1220617224.db2.gz WZHLUPXQFDYUAG-OAGGEKHMSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102419839 1220617232 /nfs/dbraw/zinc/61/72/32/1220617232.db2.gz WZHLUPXQFDYUAG-OAGGEKHMSA-N 2 1 361.490 0.921 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102466192 1220636727 /nfs/dbraw/zinc/63/67/27/1220636727.db2.gz IRMOIZWMSHOITE-DJIMGWMZSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102466192 1220636731 /nfs/dbraw/zinc/63/67/31/1220636731.db2.gz IRMOIZWMSHOITE-DJIMGWMZSA-N 2 1 361.490 0.934 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466454 1220637277 /nfs/dbraw/zinc/63/72/77/1220637277.db2.gz NZRDCWCAWZXRHN-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466454 1220637282 /nfs/dbraw/zinc/63/72/82/1220637282.db2.gz NZRDCWCAWZXRHN-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468727 1220638117 /nfs/dbraw/zinc/63/81/17/1220638117.db2.gz XFOOBPHKVAGZEP-SJLPKXTDSA-N 2 1 363.506 0.369 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468727 1220638122 /nfs/dbraw/zinc/63/81/22/1220638122.db2.gz XFOOBPHKVAGZEP-SJLPKXTDSA-N 2 1 363.506 0.369 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473577 1220643492 /nfs/dbraw/zinc/64/34/92/1220643492.db2.gz GTHNNVOUEQZNLH-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102495692 1220656702 /nfs/dbraw/zinc/65/67/02/1220656702.db2.gz HYILYXXGUNTLGG-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102495692 1220656706 /nfs/dbraw/zinc/65/67/06/1220656706.db2.gz HYILYXXGUNTLGG-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102495692 1220656709 /nfs/dbraw/zinc/65/67/09/1220656709.db2.gz HYILYXXGUNTLGG-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102495692 1220656713 /nfs/dbraw/zinc/65/67/13/1220656713.db2.gz HYILYXXGUNTLGG-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001229141375 1225982929 /nfs/dbraw/zinc/98/29/29/1225982929.db2.gz DWQPIHAPNNMSQM-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001229142673 1225983217 /nfs/dbraw/zinc/98/32/17/1225983217.db2.gz XZJLYPOLTDMGMI-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001229142692 1225983504 /nfs/dbraw/zinc/98/35/04/1225983504.db2.gz ZBCZGLJGXSXPNB-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142307 1225983737 /nfs/dbraw/zinc/98/37/37/1225983737.db2.gz QKSDKLJQSDIELM-IAGOWNOFSA-N 2 1 364.494 0.537 20 0 FCADMP CCn1c(C)nnc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511012 1220669979 /nfs/dbraw/zinc/66/99/79/1220669979.db2.gz FYBAYYJGEZTEFB-GDBMZVCRSA-N 2 1 366.510 0.369 20 0 FCADMP CCn1c(C)nnc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511012 1220669981 /nfs/dbraw/zinc/66/99/81/1220669981.db2.gz FYBAYYJGEZTEFB-GDBMZVCRSA-N 2 1 366.510 0.369 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511481 1220670437 /nfs/dbraw/zinc/67/04/37/1220670437.db2.gz YTAYJWQRZWCKSK-UKRRQHHQSA-N 2 1 365.478 0.709 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511481 1220670443 /nfs/dbraw/zinc/67/04/43/1220670443.db2.gz YTAYJWQRZWCKSK-UKRRQHHQSA-N 2 1 365.478 0.709 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514398 1220673652 /nfs/dbraw/zinc/67/36/52/1220673652.db2.gz WCPIHGIKIZPSEU-KURKYZTESA-N 2 1 367.534 0.800 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514101 1220674005 /nfs/dbraw/zinc/67/40/05/1220674005.db2.gz MTYHTMXUFYHEOH-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521116 1220678410 /nfs/dbraw/zinc/67/84/10/1220678410.db2.gz QVASRHTYSKLOEF-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580065 1220702677 /nfs/dbraw/zinc/70/26/77/1220702677.db2.gz DICZQMZJADRCMR-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580065 1220702679 /nfs/dbraw/zinc/70/26/79/1220702679.db2.gz DICZQMZJADRCMR-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580536 1220702856 /nfs/dbraw/zinc/70/28/56/1220702856.db2.gz BGHQHFPDARRFSM-CXAGYDPISA-N 2 1 359.478 0.784 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580536 1220702863 /nfs/dbraw/zinc/70/28/63/1220702863.db2.gz BGHQHFPDARRFSM-CXAGYDPISA-N 2 1 359.478 0.784 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C ZINC001102580547 1220703949 /nfs/dbraw/zinc/70/39/49/1220703949.db2.gz BQPQWQPJDZVINE-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589364 1220711142 /nfs/dbraw/zinc/71/11/42/1220711142.db2.gz KLZHDCQZJHNBMU-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589364 1220711145 /nfs/dbraw/zinc/71/11/45/1220711145.db2.gz KLZHDCQZJHNBMU-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589364 1220711151 /nfs/dbraw/zinc/71/11/51/1220711151.db2.gz KLZHDCQZJHNBMU-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589364 1220711154 /nfs/dbraw/zinc/71/11/54/1220711154.db2.gz KLZHDCQZJHNBMU-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102600994 1220723805 /nfs/dbraw/zinc/72/38/05/1220723805.db2.gz GHDGUPLFWGDXFV-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102600994 1220723807 /nfs/dbraw/zinc/72/38/07/1220723807.db2.gz GHDGUPLFWGDXFV-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102600994 1220723810 /nfs/dbraw/zinc/72/38/10/1220723810.db2.gz GHDGUPLFWGDXFV-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102818703 1220790770 /nfs/dbraw/zinc/79/07/70/1220790770.db2.gz CVHNPXYGEYJTNX-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102818703 1220790777 /nfs/dbraw/zinc/79/07/77/1220790777.db2.gz CVHNPXYGEYJTNX-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001102818703 1220790782 /nfs/dbraw/zinc/79/07/82/1220790782.db2.gz CVHNPXYGEYJTNX-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001102818703 1220790789 /nfs/dbraw/zinc/79/07/89/1220790789.db2.gz CVHNPXYGEYJTNX-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001102819640 1220791916 /nfs/dbraw/zinc/79/19/16/1220791916.db2.gz YDZHHKOBFJYENS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001102819640 1220791920 /nfs/dbraw/zinc/79/19/20/1220791920.db2.gz YDZHHKOBFJYENS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ncn1 ZINC001102819640 1220791924 /nfs/dbraw/zinc/79/19/24/1220791924.db2.gz YDZHHKOBFJYENS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ncn1 ZINC001102819640 1220791928 /nfs/dbraw/zinc/79/19/28/1220791928.db2.gz YDZHHKOBFJYENS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994376 1220817488 /nfs/dbraw/zinc/81/74/88/1220817488.db2.gz ZJPHRIYRPXYKEZ-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994103 1220817752 /nfs/dbraw/zinc/81/77/52/1220817752.db2.gz PZEXIAFXCFMGKU-OIISXLGYSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994103 1220817754 /nfs/dbraw/zinc/81/77/54/1220817754.db2.gz PZEXIAFXCFMGKU-OIISXLGYSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083625 1220830109 /nfs/dbraw/zinc/83/01/09/1220830109.db2.gz AMGHISKBXQKJNN-ZIAGYGMSSA-N 2 1 364.494 0.167 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085467 1220830707 /nfs/dbraw/zinc/83/07/07/1220830707.db2.gz WSZNHRKMJOYFHP-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085467 1220830710 /nfs/dbraw/zinc/83/07/10/1220830710.db2.gz WSZNHRKMJOYFHP-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086829 1220830731 /nfs/dbraw/zinc/83/07/31/1220830731.db2.gz SHYWNJIEZWTGPD-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086829 1220830734 /nfs/dbraw/zinc/83/07/34/1220830734.db2.gz SHYWNJIEZWTGPD-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001103085352 1220831019 /nfs/dbraw/zinc/83/10/19/1220831019.db2.gz RILNDQBUVFUYKC-INMHGKMJSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001103085352 1220831020 /nfs/dbraw/zinc/83/10/20/1220831020.db2.gz RILNDQBUVFUYKC-INMHGKMJSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001103085352 1220831021 /nfs/dbraw/zinc/83/10/21/1220831021.db2.gz RILNDQBUVFUYKC-INMHGKMJSA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C)[NH+](C)C ZINC001103140022 1220839662 /nfs/dbraw/zinc/83/96/62/1220839662.db2.gz JHFDAEORNVRKOK-IIAWOOMASA-N 2 1 363.510 0.922 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C)[NH+](C)C ZINC001103140022 1220839664 /nfs/dbraw/zinc/83/96/64/1220839664.db2.gz JHFDAEORNVRKOK-IIAWOOMASA-N 2 1 363.510 0.922 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374225 1220873106 /nfs/dbraw/zinc/87/31/06/1220873106.db2.gz AKMMZYVQIUVXLM-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374225 1220873109 /nfs/dbraw/zinc/87/31/09/1220873109.db2.gz AKMMZYVQIUVXLM-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001103426899 1220880560 /nfs/dbraw/zinc/88/05/60/1220880560.db2.gz SDCPTLGPFJYLCX-RBSFLKMASA-N 2 1 369.510 0.376 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436130 1220882546 /nfs/dbraw/zinc/88/25/46/1220882546.db2.gz LMBNLYLZYYBRMQ-RRFJBIMHSA-N 2 1 364.494 0.024 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436130 1220882548 /nfs/dbraw/zinc/88/25/48/1220882548.db2.gz LMBNLYLZYYBRMQ-RRFJBIMHSA-N 2 1 364.494 0.024 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436130 1220882550 /nfs/dbraw/zinc/88/25/50/1220882550.db2.gz LMBNLYLZYYBRMQ-RRFJBIMHSA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537030 1220897504 /nfs/dbraw/zinc/89/75/04/1220897504.db2.gz OPLYZTLPGDETAB-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537030 1220897505 /nfs/dbraw/zinc/89/75/05/1220897505.db2.gz OPLYZTLPGDETAB-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103571097 1220904783 /nfs/dbraw/zinc/90/47/83/1220904783.db2.gz WIKHHVPCLMKUAR-HZPDHXFCSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103571097 1220904786 /nfs/dbraw/zinc/90/47/86/1220904786.db2.gz WIKHHVPCLMKUAR-HZPDHXFCSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103643852 1220925699 /nfs/dbraw/zinc/92/56/99/1220925699.db2.gz SXRDRBCYFQDONP-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103643852 1220925707 /nfs/dbraw/zinc/92/57/07/1220925707.db2.gz SXRDRBCYFQDONP-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103643852 1220925714 /nfs/dbraw/zinc/92/57/14/1220925714.db2.gz SXRDRBCYFQDONP-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642161 1220926440 /nfs/dbraw/zinc/92/64/40/1220926440.db2.gz SLKDNSYJFGPWMK-NVXWUHKLSA-N 2 1 368.522 0.165 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642129 1220926703 /nfs/dbraw/zinc/92/67/03/1220926703.db2.gz RLQIXJLWNQTQKM-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103648141 1220926908 /nfs/dbraw/zinc/92/69/08/1220926908.db2.gz WEAUINQYVWQXLK-HUUCEWRRSA-N 2 1 361.490 0.924 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718909 1220950816 /nfs/dbraw/zinc/95/08/16/1220950816.db2.gz JYPULDKEBSFYMR-KFWWJZLASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718909 1220950823 /nfs/dbraw/zinc/95/08/23/1220950823.db2.gz JYPULDKEBSFYMR-KFWWJZLASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718909 1220950827 /nfs/dbraw/zinc/95/08/27/1220950827.db2.gz JYPULDKEBSFYMR-KFWWJZLASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718909 1220950832 /nfs/dbraw/zinc/95/08/32/1220950832.db2.gz JYPULDKEBSFYMR-KFWWJZLASA-N 2 1 361.494 0.534 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724633 1220953775 /nfs/dbraw/zinc/95/37/75/1220953775.db2.gz MZXGEBREFIGPRX-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103724920 1220954857 /nfs/dbraw/zinc/95/48/57/1220954857.db2.gz ZJPUNQWGBCBWLS-IXDOHACOSA-N 2 1 368.522 0.117 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752659 1220964528 /nfs/dbraw/zinc/96/45/28/1220964528.db2.gz SDHYQZPKGWKENF-HZPDHXFCSA-N 2 1 363.510 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752659 1220964532 /nfs/dbraw/zinc/96/45/32/1220964532.db2.gz SDHYQZPKGWKENF-HZPDHXFCSA-N 2 1 363.510 0.660 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104185977 1221018214 /nfs/dbraw/zinc/01/82/14/1221018214.db2.gz SCOPUJHOMCMJSX-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)Cc1ccccc1)C2 ZINC001111499510 1221024471 /nfs/dbraw/zinc/02/44/71/1221024471.db2.gz KLINERNLBKBZSN-HCXYKTFWSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499510 1221024477 /nfs/dbraw/zinc/02/44/77/1221024477.db2.gz KLINERNLBKBZSN-HCXYKTFWSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499510 1221024482 /nfs/dbraw/zinc/02/44/82/1221024482.db2.gz KLINERNLBKBZSN-HCXYKTFWSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111499510 1221024490 /nfs/dbraw/zinc/02/44/90/1221024490.db2.gz KLINERNLBKBZSN-HCXYKTFWSA-N 2 1 361.486 0.847 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)CC1 ZINC001111853041 1221137088 /nfs/dbraw/zinc/13/70/88/1221137088.db2.gz DSZUBFRSPJPYRZ-JXFKEZNVSA-N 2 1 362.518 0.921 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857937 1221138644 /nfs/dbraw/zinc/13/86/44/1221138644.db2.gz GGYFPJDULWWNFE-GLJUWKHASA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2)[NH+](C)C ZINC001111874975 1221146452 /nfs/dbraw/zinc/14/64/52/1221146452.db2.gz KFLPYQDBUSHPEF-BXWFABGCSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983628 1221193916 /nfs/dbraw/zinc/19/39/16/1221193916.db2.gz NNNYHGBNOOSOPQ-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983628 1221193919 /nfs/dbraw/zinc/19/39/19/1221193919.db2.gz NNNYHGBNOOSOPQ-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983628 1221193921 /nfs/dbraw/zinc/19/39/21/1221193921.db2.gz NNNYHGBNOOSOPQ-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983628 1221193924 /nfs/dbraw/zinc/19/39/24/1221193924.db2.gz NNNYHGBNOOSOPQ-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCOC)C3)C1 ZINC001111996307 1221196372 /nfs/dbraw/zinc/19/63/72/1221196372.db2.gz UMFUDMWQCWTJLX-SCTDSRPQSA-N 2 1 369.506 0.341 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCOC)C3)C1 ZINC001111996307 1221196375 /nfs/dbraw/zinc/19/63/75/1221196375.db2.gz UMFUDMWQCWTJLX-SCTDSRPQSA-N 2 1 369.506 0.341 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCOC)C3)C1 ZINC001111996307 1221196377 /nfs/dbraw/zinc/19/63/77/1221196377.db2.gz UMFUDMWQCWTJLX-SCTDSRPQSA-N 2 1 369.506 0.341 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCOC)C3)C1 ZINC001111996307 1221196380 /nfs/dbraw/zinc/19/63/80/1221196380.db2.gz UMFUDMWQCWTJLX-SCTDSRPQSA-N 2 1 369.506 0.341 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001112021270 1221203211 /nfs/dbraw/zinc/20/32/11/1221203211.db2.gz DGVKHINQBXYNPD-KXBFYZLASA-N 2 1 359.474 0.913 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1CN(CC(=O)NC1CC1)C2 ZINC001112021270 1221203216 /nfs/dbraw/zinc/20/32/16/1221203216.db2.gz DGVKHINQBXYNPD-KXBFYZLASA-N 2 1 359.474 0.913 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001112285085 1221230638 /nfs/dbraw/zinc/23/06/38/1221230638.db2.gz LJHDQKYARNXKLB-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229710676 1226029910 /nfs/dbraw/zinc/02/99/10/1226029910.db2.gz RYVREFIGPQNNDV-ZIAGYGMSSA-N 2 1 369.466 0.311 20 0 FCADMP O=C1N[C@H]2CC[NH+](CCCC[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799180877 1221304992 /nfs/dbraw/zinc/30/49/92/1221304992.db2.gz KCDNHDWVFFDPRD-WCVJEAGWSA-N 2 1 366.462 0.627 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC001116488363 1221366467 /nfs/dbraw/zinc/36/64/67/1221366467.db2.gz QKWVPEDPSUCXBN-UHFFFAOYSA-N 2 1 374.489 0.857 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001229860692 1226036597 /nfs/dbraw/zinc/03/65/97/1226036597.db2.gz ZMDONUVKRXBMPM-HUUCEWRRSA-N 2 1 367.494 0.333 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001229860444 1226036729 /nfs/dbraw/zinc/03/67/29/1226036729.db2.gz SRHIRBXIHBELMF-GVDBMIGSSA-N 2 1 368.522 0.640 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001230138849 1226057298 /nfs/dbraw/zinc/05/72/98/1226057298.db2.gz TXUIVUCKVZIKKD-RBSFLKMASA-N 2 1 360.462 0.384 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001230147836 1226058003 /nfs/dbraw/zinc/05/80/03/1226058003.db2.gz SEHHKKXNHCUZGS-ZIAGYGMSSA-N 2 1 360.418 0.835 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001230147771 1226058072 /nfs/dbraw/zinc/05/80/72/1226058072.db2.gz PKOYFOAMMMHXOZ-BRWVUGGUSA-N 2 1 360.462 0.466 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001118571542 1221802082 /nfs/dbraw/zinc/80/20/82/1221802082.db2.gz DTPJMYNWMDPBMC-HZPDHXFCSA-N 2 1 362.478 0.387 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC001119355161 1221904401 /nfs/dbraw/zinc/90/44/01/1221904401.db2.gz QIZFWZJFXNUFLC-QGZVFWFLSA-N 2 1 360.458 0.379 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC001119355161 1221904406 /nfs/dbraw/zinc/90/44/06/1221904406.db2.gz QIZFWZJFXNUFLC-QGZVFWFLSA-N 2 1 360.458 0.379 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC001119353907 1221904615 /nfs/dbraw/zinc/90/46/15/1221904615.db2.gz UWMACYXFCLCNKU-ULQDDVLXSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119424866 1221916052 /nfs/dbraw/zinc/91/60/52/1221916052.db2.gz LHAUXQYGUDJFNP-ROUUACIJSA-N 2 1 369.554 0.798 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001119651616 1221944789 /nfs/dbraw/zinc/94/47/89/1221944789.db2.gz GEPOQMUGDMIQNN-GOSISDBHSA-N 2 1 370.505 0.917 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001119651616 1221944794 /nfs/dbraw/zinc/94/47/94/1221944794.db2.gz GEPOQMUGDMIQNN-GOSISDBHSA-N 2 1 370.505 0.917 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC001119724959 1221957170 /nfs/dbraw/zinc/95/71/70/1221957170.db2.gz DNEHFADIPMFBEZ-WBVHZDCISA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC001119724959 1221957174 /nfs/dbraw/zinc/95/71/74/1221957174.db2.gz DNEHFADIPMFBEZ-WBVHZDCISA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC001119724959 1221957177 /nfs/dbraw/zinc/95/71/77/1221957177.db2.gz DNEHFADIPMFBEZ-WBVHZDCISA-N 2 1 363.510 0.847 20 0 FCADMP CC(=O)N1CCN(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001120481473 1222092798 /nfs/dbraw/zinc/09/27/98/1222092798.db2.gz OYIAUKHXIUEVKT-FQEVSTJZSA-N 2 1 360.502 0.377 20 0 FCADMP CC(=O)N1CCN(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001120481473 1222092803 /nfs/dbraw/zinc/09/28/03/1222092803.db2.gz OYIAUKHXIUEVKT-FQEVSTJZSA-N 2 1 360.502 0.377 20 0 FCADMP COc1cc(NC(=O)CC[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(OC)c1OC ZINC001120503641 1222096255 /nfs/dbraw/zinc/09/62/55/1222096255.db2.gz VRWINWZSVAZRBR-GOSISDBHSA-N 2 1 367.446 0.697 20 0 FCADMP COc1cc(NC(=O)CC[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1OC ZINC001120503641 1222096261 /nfs/dbraw/zinc/09/62/61/1222096261.db2.gz VRWINWZSVAZRBR-GOSISDBHSA-N 2 1 367.446 0.697 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001120548902 1222103099 /nfs/dbraw/zinc/10/30/99/1222103099.db2.gz HKXBSISZLABTFU-NCOADZHNSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001120548902 1222103103 /nfs/dbraw/zinc/10/31/03/1222103103.db2.gz HKXBSISZLABTFU-NCOADZHNSA-N 2 1 368.522 0.942 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@@H](C)C1 ZINC001120579103 1222105532 /nfs/dbraw/zinc/10/55/32/1222105532.db2.gz MSKOSFFZXSBCDU-FDQGKXFDSA-N 2 1 360.458 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@@H](C)C1 ZINC001120579103 1222105540 /nfs/dbraw/zinc/10/55/40/1222105540.db2.gz MSKOSFFZXSBCDU-FDQGKXFDSA-N 2 1 360.458 0.890 20 0 FCADMP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120584902 1222106663 /nfs/dbraw/zinc/10/66/63/1222106663.db2.gz BWQZYLLAZSXYMR-VZHLBOQGSA-N 2 1 372.469 0.703 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC001120970256 1222135183 /nfs/dbraw/zinc/13/51/83/1222135183.db2.gz OGMBRNXWLMCGMM-OAHLLOKOSA-N 2 1 361.446 0.336 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC001120970256 1222135186 /nfs/dbraw/zinc/13/51/86/1222135186.db2.gz OGMBRNXWLMCGMM-OAHLLOKOSA-N 2 1 361.446 0.336 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1)C1CC[NH+](C)CC1 ZINC001121059051 1222144053 /nfs/dbraw/zinc/14/40/53/1222144053.db2.gz XSUMMMPRRWRYIZ-GOSISDBHSA-N 2 1 373.501 0.976 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1)C1CC[NH+](C)CC1 ZINC001121059051 1222144059 /nfs/dbraw/zinc/14/40/59/1222144059.db2.gz XSUMMMPRRWRYIZ-GOSISDBHSA-N 2 1 373.501 0.976 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N(C)C2CC2)C3)CC[N@H+]1C ZINC001121133544 1222150543 /nfs/dbraw/zinc/15/05/43/1222150543.db2.gz BYGOWPPDILREFL-VUFFAHCWSA-N 2 1 362.518 0.964 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC001121181218 1222152704 /nfs/dbraw/zinc/15/27/04/1222152704.db2.gz IFVIJVCZSGXHKI-INIZCTEOSA-N 2 1 359.474 0.587 20 0 FCADMP C[NH+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC001121181218 1222152708 /nfs/dbraw/zinc/15/27/08/1222152708.db2.gz IFVIJVCZSGXHKI-INIZCTEOSA-N 2 1 359.474 0.587 20 0 FCADMP C[NH+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC001121181218 1222152710 /nfs/dbraw/zinc/15/27/10/1222152710.db2.gz IFVIJVCZSGXHKI-INIZCTEOSA-N 2 1 359.474 0.587 20 0 FCADMP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC001121729456 1222205442 /nfs/dbraw/zinc/20/54/42/1222205442.db2.gz JGTZDRCZWYQLOY-ZDUSSCGKSA-N 2 1 366.466 0.330 20 0 FCADMP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001121928405 1222225259 /nfs/dbraw/zinc/22/52/59/1222225259.db2.gz OICNXIOLFGXAAW-LJQANCHMSA-N 2 1 364.465 0.569 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069793 1222238789 /nfs/dbraw/zinc/23/87/89/1222238789.db2.gz GALDXTLWWGNOPR-IXDOHACOSA-N 2 1 363.506 0.606 20 0 FCADMP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C(C)C)n1 ZINC001122834495 1222299806 /nfs/dbraw/zinc/29/98/06/1222299806.db2.gz AOKDWWJINYVZPS-QLFBSQMISA-N 2 1 365.478 0.517 20 0 FCADMP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C(C)C)n1 ZINC001122834495 1222299808 /nfs/dbraw/zinc/29/98/08/1222299808.db2.gz AOKDWWJINYVZPS-QLFBSQMISA-N 2 1 365.478 0.517 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123506143 1222336315 /nfs/dbraw/zinc/33/63/15/1222336315.db2.gz VPEMAXGVQVMBHA-SZMVWBNQSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123506142 1222336659 /nfs/dbraw/zinc/33/66/59/1222336659.db2.gz VPEMAXGVQVMBHA-RYQLBKOJSA-N 2 1 367.538 0.563 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cn(C)c(=O)n(C)c4=O)C[C@H]3C2)cc1 ZINC001231767498 1226124014 /nfs/dbraw/zinc/12/40/14/1226124014.db2.gz IQRSVLDFWNCYDW-QZTJIDSGSA-N 2 1 368.481 0.956 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cnc(OC)nc3OC)CC[C@@H]2C1 ZINC001139234232 1222545662 /nfs/dbraw/zinc/54/56/62/1222545662.db2.gz JUULJQAUPSQFST-GDBMZVCRSA-N 2 1 366.462 0.663 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cnc(OC)nc3OC)CC[C@@H]2C1 ZINC001139234232 1222545665 /nfs/dbraw/zinc/54/56/65/1222545665.db2.gz JUULJQAUPSQFST-GDBMZVCRSA-N 2 1 366.462 0.663 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cnc(OC)nc3OC)CC[C@@H]2C1 ZINC001139234232 1222545668 /nfs/dbraw/zinc/54/56/68/1222545668.db2.gz JUULJQAUPSQFST-GDBMZVCRSA-N 2 1 366.462 0.663 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cnc(OC)nc3OC)CC[C@@H]2C1 ZINC001139234232 1222545671 /nfs/dbraw/zinc/54/56/71/1222545671.db2.gz JUULJQAUPSQFST-GDBMZVCRSA-N 2 1 366.462 0.663 20 0 FCADMP COC(=O)COc1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001139777633 1222558259 /nfs/dbraw/zinc/55/82/59/1222558259.db2.gz SXSCXNMJPMDLSS-UHFFFAOYSA-N 2 1 363.458 0.834 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001139853978 1222560384 /nfs/dbraw/zinc/56/03/84/1222560384.db2.gz QPTMKCRTTFHDOY-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000834575546 1222580105 /nfs/dbraw/zinc/58/01/05/1222580105.db2.gz GMBWDDMBVLRIPX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000834575546 1222580110 /nfs/dbraw/zinc/58/01/10/1222580110.db2.gz GMBWDDMBVLRIPX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000834575546 1222580114 /nfs/dbraw/zinc/58/01/14/1222580114.db2.gz GMBWDDMBVLRIPX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000834575546 1222580120 /nfs/dbraw/zinc/58/01/20/1222580120.db2.gz GMBWDDMBVLRIPX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@]1(C(N)=O)CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062301 1222768822 /nfs/dbraw/zinc/76/88/22/1222768822.db2.gz UZVPIFASLKMOPC-GQIGUUNPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@@]1(C(N)=O)CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062301 1222768824 /nfs/dbraw/zinc/76/88/24/1222768824.db2.gz UZVPIFASLKMOPC-GQIGUUNPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@@]1(C(N)=O)CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062301 1222768827 /nfs/dbraw/zinc/76/88/27/1222768827.db2.gz UZVPIFASLKMOPC-GQIGUUNPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@@]1(C(N)=O)CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062301 1222768831 /nfs/dbraw/zinc/76/88/31/1222768831.db2.gz UZVPIFASLKMOPC-GQIGUUNPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+](C2CC2)C1 ZINC000841136753 1222809085 /nfs/dbraw/zinc/80/90/85/1222809085.db2.gz ZULVZUJREGSZLU-CQSZACIVSA-N 2 1 360.458 0.905 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000841264059 1222816694 /nfs/dbraw/zinc/81/66/94/1222816694.db2.gz BFJWQWIYNWTEID-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841897319 1222830866 /nfs/dbraw/zinc/83/08/66/1222830866.db2.gz XAXGHXWRJLOIOB-HXUWFJFHSA-N 2 1 373.501 0.630 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C[C@@H]1C ZINC000843243591 1222861992 /nfs/dbraw/zinc/86/19/92/1222861992.db2.gz FWUSTDOVGMATHR-CALCHBBNSA-N 2 1 370.538 0.600 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000843247772 1222863329 /nfs/dbraw/zinc/86/33/29/1222863329.db2.gz JLEDIORPIXCSMB-TWMKSMIVSA-N 2 1 366.506 0.249 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000843247772 1222863331 /nfs/dbraw/zinc/86/33/31/1222863331.db2.gz JLEDIORPIXCSMB-TWMKSMIVSA-N 2 1 366.506 0.249 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000843247772 1222863335 /nfs/dbraw/zinc/86/33/35/1222863335.db2.gz JLEDIORPIXCSMB-TWMKSMIVSA-N 2 1 366.506 0.249 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000843247772 1222863337 /nfs/dbraw/zinc/86/33/37/1222863337.db2.gz JLEDIORPIXCSMB-TWMKSMIVSA-N 2 1 366.506 0.249 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C[C@@H]1C ZINC000843254610 1222865929 /nfs/dbraw/zinc/86/59/29/1222865929.db2.gz VHVRQGVVHZZZAE-BBWFWOEESA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C[C@@H]1C ZINC000843254610 1222865932 /nfs/dbraw/zinc/86/59/32/1222865932.db2.gz VHVRQGVVHZZZAE-BBWFWOEESA-N 2 1 368.522 0.543 20 0 FCADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001277697489 1226161077 /nfs/dbraw/zinc/16/10/77/1226161077.db2.gz CMGIGQGUVDGEHV-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150389652 1222899395 /nfs/dbraw/zinc/89/93/95/1222899395.db2.gz MTHMJLSVLNSQDY-MRXNPFEDSA-N 2 1 373.505 0.719 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150389652 1222899397 /nfs/dbraw/zinc/89/93/97/1222899397.db2.gz MTHMJLSVLNSQDY-MRXNPFEDSA-N 2 1 373.505 0.719 20 0 FCADMP CCNC(=O)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151138226 1222917077 /nfs/dbraw/zinc/91/70/77/1222917077.db2.gz VOJGHXPKSKJBAS-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCNC(=O)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138226 1222917082 /nfs/dbraw/zinc/91/70/82/1222917082.db2.gz VOJGHXPKSKJBAS-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001152645926 1222954059 /nfs/dbraw/zinc/95/40/59/1222954059.db2.gz SYACAGCVSSVKQK-UXHICEINSA-N 2 1 361.486 0.539 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452565 1222974948 /nfs/dbraw/zinc/97/49/48/1222974948.db2.gz RDUFWABZKJYXTN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452565 1222974955 /nfs/dbraw/zinc/97/49/55/1222974955.db2.gz RDUFWABZKJYXTN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452565 1222974966 /nfs/dbraw/zinc/97/49/66/1222974966.db2.gz RDUFWABZKJYXTN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452565 1222974971 /nfs/dbraw/zinc/97/49/71/1222974971.db2.gz RDUFWABZKJYXTN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000977802338 1248650205 /nfs/dbraw/zinc/65/02/05/1248650205.db2.gz XGCCQBZWPHRXLG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000977802338 1248650218 /nfs/dbraw/zinc/65/02/18/1248650218.db2.gz XGCCQBZWPHRXLG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP COC(=O)c1cn2c(n1)CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001155659844 1223040723 /nfs/dbraw/zinc/04/07/23/1223040723.db2.gz LGVCMZFHNGQLSV-UHFFFAOYSA-N 2 1 357.418 0.407 20 0 FCADMP [NH3+]CCCC[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)N1CCCC1 ZINC001157371232 1223075597 /nfs/dbraw/zinc/07/55/97/1223075597.db2.gz QGMIIYWIDGTBGY-CVEARBPZSA-N 2 1 365.522 0.097 20 0 FCADMP C[C@@H]1CCN(C(=O)c2ccc3nnc([C@@H]4C[N@H+](C)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001157829043 1223082894 /nfs/dbraw/zinc/08/28/94/1223082894.db2.gz PJCSYRBEIZRGGQ-KBMXLJTQSA-N 2 1 371.489 0.457 20 0 FCADMP C[C@@H]1CCN(C(=O)c2ccc3nnc([C@@H]4C[N@@H+](C)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001157829043 1223082897 /nfs/dbraw/zinc/08/28/97/1223082897.db2.gz PJCSYRBEIZRGGQ-KBMXLJTQSA-N 2 1 371.489 0.457 20 0 FCADMP CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978357 1223085572 /nfs/dbraw/zinc/08/55/72/1223085572.db2.gz SHTVBJSUDPDXMX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978357 1223085576 /nfs/dbraw/zinc/08/55/76/1223085576.db2.gz SHTVBJSUDPDXMX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978357 1223085581 /nfs/dbraw/zinc/08/55/81/1223085581.db2.gz SHTVBJSUDPDXMX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978357 1223085585 /nfs/dbraw/zinc/08/55/85/1223085585.db2.gz SHTVBJSUDPDXMX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCn2cccn2)O1 ZINC001158123856 1223089847 /nfs/dbraw/zinc/08/98/47/1223089847.db2.gz GHFXFQNUHMCXBT-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCn2cccn2)O1 ZINC001158123856 1223089850 /nfs/dbraw/zinc/08/98/50/1223089850.db2.gz GHFXFQNUHMCXBT-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCn2cccn2)O1 ZINC001158123856 1223089854 /nfs/dbraw/zinc/08/98/54/1223089854.db2.gz GHFXFQNUHMCXBT-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCn2cccn2)O1 ZINC001158123856 1223089856 /nfs/dbraw/zinc/08/98/56/1223089856.db2.gz GHFXFQNUHMCXBT-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167872 1223090038 /nfs/dbraw/zinc/09/00/38/1223090038.db2.gz MQQKDWLQCOFEAZ-CEXWTWQISA-N 2 1 358.486 0.297 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167872 1223090041 /nfs/dbraw/zinc/09/00/41/1223090041.db2.gz MQQKDWLQCOFEAZ-CEXWTWQISA-N 2 1 358.486 0.297 20 0 FCADMP C[C@H]([NH3+])c1ccn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)n1 ZINC001158350255 1223095478 /nfs/dbraw/zinc/09/54/78/1223095478.db2.gz ZHLHPHHUEPQPKK-ZDUSSCGKSA-N 2 1 359.434 0.355 20 0 FCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001158630101 1223102842 /nfs/dbraw/zinc/10/28/42/1223102842.db2.gz LVBRXRYQVBKVGG-IYOUNJFTSA-N 2 1 371.485 0.705 20 0 FCADMP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001159246866 1223121647 /nfs/dbraw/zinc/12/16/47/1223121647.db2.gz KHRQAOGBCHIYPC-ZWKOTPCHSA-N 2 1 371.485 0.433 20 0 FCADMP CO[C@@H]1CCN(C(=O)CNCCC[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317170 1223124032 /nfs/dbraw/zinc/12/40/32/1223124032.db2.gz RNGRVJJXZNOCED-RCCFBDPRSA-N 2 1 361.490 0.068 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317170 1223124036 /nfs/dbraw/zinc/12/40/36/1223124036.db2.gz RNGRVJJXZNOCED-RCCFBDPRSA-N 3 1 361.490 0.068 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317170 1223124039 /nfs/dbraw/zinc/12/40/39/1223124039.db2.gz RNGRVJJXZNOCED-RCCFBDPRSA-N 3 1 361.490 0.068 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N(c1cccc(C)c1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001159339725 1223125234 /nfs/dbraw/zinc/12/52/34/1223125234.db2.gz QQQUOGHJWASMHI-ZIFCJYIRSA-N 2 1 361.442 0.739 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2CCCO[C@H]12 ZINC001159424517 1223126940 /nfs/dbraw/zinc/12/69/40/1223126940.db2.gz JJCIFQIZNOKDHL-KURKYZTESA-N 2 1 373.501 0.353 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2CCCO[C@H]12 ZINC001159424517 1223126941 /nfs/dbraw/zinc/12/69/41/1223126941.db2.gz JJCIFQIZNOKDHL-KURKYZTESA-N 2 1 373.501 0.353 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2CCCO[C@H]12 ZINC001159425441 1223126960 /nfs/dbraw/zinc/12/69/60/1223126960.db2.gz SHGXPRRQIPFQAT-XSYGEPLQSA-N 2 1 373.501 0.353 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2CCCO[C@H]12 ZINC001159425441 1223126961 /nfs/dbraw/zinc/12/69/61/1223126961.db2.gz SHGXPRRQIPFQAT-XSYGEPLQSA-N 2 1 373.501 0.353 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)C2 ZINC001159471612 1223127766 /nfs/dbraw/zinc/12/77/66/1223127766.db2.gz ITSPYPJFCXZIIM-NMDDUFOESA-N 2 1 362.518 0.143 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)CC[C@@H]21 ZINC001159532645 1223129274 /nfs/dbraw/zinc/12/92/74/1223129274.db2.gz AAVZXUKQFMOJAC-XDNAFOTISA-N 2 1 360.506 0.144 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665243 1223132724 /nfs/dbraw/zinc/13/27/24/1223132724.db2.gz IGWYPTFIZJUDFS-BZSNNMDCSA-N 3 1 361.490 0.340 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159697103 1223134104 /nfs/dbraw/zinc/13/41/04/1223134104.db2.gz MDKQEVPEGPAGPC-RYQLBKOJSA-N 2 1 374.485 0.808 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159797941 1223136657 /nfs/dbraw/zinc/13/66/57/1223136657.db2.gz LJVJUZKJQADOJU-OAHLLOKOSA-N 2 1 357.462 0.080 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001159898649 1223139430 /nfs/dbraw/zinc/13/94/30/1223139430.db2.gz RRMYFDYMKBFJTH-RTBURBONSA-N 2 1 370.453 0.772 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001159898649 1223139432 /nfs/dbraw/zinc/13/94/32/1223139432.db2.gz RRMYFDYMKBFJTH-RTBURBONSA-N 2 1 370.453 0.772 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001159946988 1223140893 /nfs/dbraw/zinc/14/08/93/1223140893.db2.gz ADPOSVVOPQJVAP-OXJNMPFZSA-N 2 1 367.453 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001160175147 1223148378 /nfs/dbraw/zinc/14/83/78/1223148378.db2.gz BXAJETSJZJJRQE-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001160175147 1223148380 /nfs/dbraw/zinc/14/83/80/1223148380.db2.gz BXAJETSJZJJRQE-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001160175147 1223148382 /nfs/dbraw/zinc/14/83/82/1223148382.db2.gz BXAJETSJZJJRQE-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001160175147 1223148385 /nfs/dbraw/zinc/14/83/85/1223148385.db2.gz BXAJETSJZJJRQE-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001160388650 1223157373 /nfs/dbraw/zinc/15/73/73/1223157373.db2.gz OESDHJSRPYFVPP-INIZCTEOSA-N 2 1 367.538 0.249 20 0 FCADMP CCOC(=O)[C@H]1CCc2nnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)cc2C1 ZINC001160517961 1223163108 /nfs/dbraw/zinc/16/31/08/1223163108.db2.gz RYETUCHJNYDGQK-DJJJIMSYSA-N 2 1 359.474 0.980 20 0 FCADMP [NH3+]C[C@]1(Nc2nc(N3CCOCC3)nc3c2CCN3)C[NH+]2CCC1CC2 ZINC001160511964 1223163334 /nfs/dbraw/zinc/16/33/34/1223163334.db2.gz QKWZFYKJAKLMMP-SFHVURJKSA-N 2 1 359.478 0.116 20 0 FCADMP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[N@H+](C(C)(C)C)CCN3)C[C@H]1C[NH2+]CC2 ZINC001160811957 1223174767 /nfs/dbraw/zinc/17/47/67/1223174767.db2.gz BJKMBSDSUSMLSB-SPYBWZPUSA-N 2 1 366.506 0.060 20 0 FCADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001160826053 1223176918 /nfs/dbraw/zinc/17/69/18/1223176918.db2.gz QPJBMJDRBYOKSX-BEFAXECRSA-N 2 1 359.474 0.861 20 0 FCADMP COc1cccc([C@H](O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001160856947 1223177295 /nfs/dbraw/zinc/17/72/95/1223177295.db2.gz AOJKTTZVNRWELK-ZTFGCOKTSA-N 2 1 365.474 0.544 20 0 FCADMP COc1cccc([C@H](O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001160856947 1223177300 /nfs/dbraw/zinc/17/73/00/1223177300.db2.gz AOJKTTZVNRWELK-ZTFGCOKTSA-N 2 1 365.474 0.544 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC1 ZINC001160857716 1223178008 /nfs/dbraw/zinc/17/80/08/1223178008.db2.gz NDHIANQOGWRKGG-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC1 ZINC001160857716 1223178011 /nfs/dbraw/zinc/17/80/11/1223178011.db2.gz NDHIANQOGWRKGG-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CCCCC2)O1 ZINC001160858162 1223178034 /nfs/dbraw/zinc/17/80/34/1223178034.db2.gz YPLWDWPGSXHRRC-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CCCCC2)O1 ZINC001160858162 1223178039 /nfs/dbraw/zinc/17/80/39/1223178039.db2.gz YPLWDWPGSXHRRC-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccc3c(c2)nnn3C)O1 ZINC001160861907 1223178326 /nfs/dbraw/zinc/17/83/26/1223178326.db2.gz ADRKFCBTSASPBK-CXAGYDPISA-N 2 1 360.462 0.283 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccc3c(c2)nnn3C)O1 ZINC001160861907 1223178328 /nfs/dbraw/zinc/17/83/28/1223178328.db2.gz ADRKFCBTSASPBK-CXAGYDPISA-N 2 1 360.462 0.283 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001160857965 1223178364 /nfs/dbraw/zinc/17/83/64/1223178364.db2.gz UNVWRMMOYBETKX-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001160857965 1223178366 /nfs/dbraw/zinc/17/83/66/1223178366.db2.gz UNVWRMMOYBETKX-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CCCCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857105 1223178371 /nfs/dbraw/zinc/17/83/71/1223178371.db2.gz DRYDLTPVHIGWCX-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857105 1223178372 /nfs/dbraw/zinc/17/83/72/1223178372.db2.gz DRYDLTPVHIGWCX-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP Cc1cccc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001160862441 1223178974 /nfs/dbraw/zinc/17/89/74/1223178974.db2.gz PSIRCTRRNPWKBS-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP Cc1cccc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001160862441 1223178977 /nfs/dbraw/zinc/17/89/77/1223178977.db2.gz PSIRCTRRNPWKBS-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP CO[C@H](C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1)c1ccccc1 ZINC001160905617 1223180674 /nfs/dbraw/zinc/18/06/74/1223180674.db2.gz RRYGDNWFJRCSBD-NSHGMRRFSA-N 2 1 359.470 0.754 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160941474 1223181178 /nfs/dbraw/zinc/18/11/78/1223181178.db2.gz SQKPZDVQTLQZQY-UHFFFAOYSA-N 2 1 358.486 0.632 20 0 FCADMP O=C([C@H]1C[C@]12CC[NH2+]C2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196412 1223188461 /nfs/dbraw/zinc/18/84/61/1223188461.db2.gz GONVTONSEJKIMV-QUCCMNQESA-N 3 1 364.534 0.537 20 0 FCADMP CC1(C)C[NH2+]C[C@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198250 1223189111 /nfs/dbraw/zinc/18/91/11/1223189111.db2.gz OMSVDQPBPLMFTB-SFHVURJKSA-N 3 1 366.550 0.783 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001161196813 1223189187 /nfs/dbraw/zinc/18/91/87/1223189187.db2.gz SGBIXSOLKXGZLL-ICSRJNTNSA-N 3 1 364.534 0.537 20 0 FCADMP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378300 1223197031 /nfs/dbraw/zinc/19/70/31/1223197031.db2.gz LUCIQPVBGVOBKT-RBUKOAKNSA-N 3 1 373.545 0.906 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)CC1 ZINC001161379741 1223197241 /nfs/dbraw/zinc/19/72/41/1223197241.db2.gz HNVNAKYPQLTCSO-MRXNPFEDSA-N 3 1 358.490 0.129 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386933 1223197616 /nfs/dbraw/zinc/19/76/16/1223197616.db2.gz NPMFZVWDVIADOA-INIZCTEOSA-N 2 1 364.469 0.056 20 0 FCADMP C[N@@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161500998 1223202569 /nfs/dbraw/zinc/20/25/69/1223202569.db2.gz WNIWHNRDGHMKOH-DJPFJPOOSA-N 2 1 370.497 0.644 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001161601944 1223205679 /nfs/dbraw/zinc/20/56/79/1223205679.db2.gz YSGQQPPUKIGMQR-HKUYNNGSSA-N 2 1 358.486 0.912 20 0 FCADMP O=S1(=O)CCN(c2cc[nH+]c(CNc3ccc4c(n3)CC[NH2+]C4)c2)CC1 ZINC001162065243 1223209940 /nfs/dbraw/zinc/20/99/40/1223209940.db2.gz HPTKCMYWUFLQKW-UHFFFAOYSA-N 2 1 373.482 0.969 20 0 FCADMP COC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162282927 1223212606 /nfs/dbraw/zinc/21/26/06/1223212606.db2.gz AIONWJINDRMYHU-IXDOHACOSA-N 2 1 371.522 0.179 20 0 FCADMP N[C@@H]1NCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2NCN[C@@H]21 ZINC001162437280 1223215903 /nfs/dbraw/zinc/21/59/03/1223215903.db2.gz BENUJVVYYDKBKW-VAMGGRTRSA-N 2 1 365.485 0.137 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001162734142 1223219253 /nfs/dbraw/zinc/21/92/53/1223219253.db2.gz YPIYZIPOVVSWHM-INIZCTEOSA-N 2 1 364.494 0.772 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917435 1223221854 /nfs/dbraw/zinc/22/18/54/1223221854.db2.gz OUWYUGFISGDUBA-VHDGCEQUSA-N 2 1 366.462 0.325 20 0 FCADMP COCCOC[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164583137 1223240364 /nfs/dbraw/zinc/24/03/64/1223240364.db2.gz UTDKOEQMFOUOTK-IXDOHACOSA-N 2 1 371.522 0.227 20 0 FCADMP NC(=O)[C@H]1CN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070891 1223241240 /nfs/dbraw/zinc/24/12/40/1223241240.db2.gz CBVRJYXLFALSCE-QGZVFWFLSA-N 2 1 352.442 0.298 20 0 FCADMP NC(=O)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CCN1 ZINC001165070857 1223241316 /nfs/dbraw/zinc/24/13/16/1223241316.db2.gz BIHPRAUNVVZSFL-SFHVURJKSA-N 2 1 351.454 0.903 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165371115 1223245417 /nfs/dbraw/zinc/24/54/17/1223245417.db2.gz CTXZBATUJCMRRR-HUUCEWRRSA-N 2 1 371.363 0.601 20 0 FCADMP CCCC[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001165728830 1223255064 /nfs/dbraw/zinc/25/50/64/1223255064.db2.gz VOCBWROWGPILLI-OWCLPIDISA-N 2 1 368.522 0.626 20 0 FCADMP CCCC[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001165728830 1223255066 /nfs/dbraw/zinc/25/50/66/1223255066.db2.gz VOCBWROWGPILLI-OWCLPIDISA-N 2 1 368.522 0.626 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCN(C4CCOCC4)C(=O)C3)n2)CC1 ZINC001166913987 1223288984 /nfs/dbraw/zinc/28/89/84/1223288984.db2.gz AXSLRPQASZACRH-UHFFFAOYSA-N 2 1 360.462 0.232 20 0 FCADMP COC(=O)C1(Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC001166966276 1223290655 /nfs/dbraw/zinc/29/06/55/1223290655.db2.gz BVXLANNELCBIBG-UHFFFAOYSA-N 2 1 360.458 0.781 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCCO)C2)C1 ZINC001205393525 1223321654 /nfs/dbraw/zinc/32/16/54/1223321654.db2.gz MGEIIIVTPCLHJP-RCCFBDPRSA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCCO)C2)C1 ZINC001205393525 1223321658 /nfs/dbraw/zinc/32/16/58/1223321658.db2.gz MGEIIIVTPCLHJP-RCCFBDPRSA-N 2 1 365.449 0.423 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCc3ccnn3C)CC2)O1 ZINC001205518553 1223330037 /nfs/dbraw/zinc/33/00/37/1223330037.db2.gz CGDWLCZHORBYPY-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCc3ccnn3C)CC2)O1 ZINC001205518553 1223330040 /nfs/dbraw/zinc/33/00/40/1223330040.db2.gz CGDWLCZHORBYPY-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205519199 1223330110 /nfs/dbraw/zinc/33/01/10/1223330110.db2.gz ZFPBXQJDDHCMTL-NVXWUHKLSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205519199 1223330112 /nfs/dbraw/zinc/33/01/12/1223330112.db2.gz ZFPBXQJDDHCMTL-NVXWUHKLSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205519181 1223330218 /nfs/dbraw/zinc/33/02/18/1223330218.db2.gz YQCWKPYNFUABLD-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205519181 1223330219 /nfs/dbraw/zinc/33/02/19/1223330219.db2.gz YQCWKPYNFUABLD-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc[nH]c3=O)CC2)C1 ZINC001207004001 1223404508 /nfs/dbraw/zinc/40/45/08/1223404508.db2.gz TXEQMKRDILTSLJ-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc[nH]c3=O)CC2)C1 ZINC001207004001 1223404511 /nfs/dbraw/zinc/40/45/11/1223404511.db2.gz TXEQMKRDILTSLJ-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[N@H+](CC1CC[NH2+]CC1)CCC2)C1CCC1 ZINC001207437227 1223446335 /nfs/dbraw/zinc/44/63/35/1223446335.db2.gz QXOUFEKQFXUNMM-UHFFFAOYSA-N 2 1 373.501 0.865 20 0 FCADMP CN(C)C(=O)[C@]12C[N@@H+](CC3CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001207436632 1223446635 /nfs/dbraw/zinc/44/66/35/1223446635.db2.gz GBDQCCRMKRWBDQ-YLJYHZDGSA-N 2 1 372.517 0.835 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617684 1223462229 /nfs/dbraw/zinc/46/22/29/1223462229.db2.gz WENOLUVNWGTUHA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617684 1223462232 /nfs/dbraw/zinc/46/22/32/1223462232.db2.gz WENOLUVNWGTUHA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617684 1223462235 /nfs/dbraw/zinc/46/22/35/1223462235.db2.gz WENOLUVNWGTUHA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617684 1223462238 /nfs/dbraw/zinc/46/22/38/1223462238.db2.gz WENOLUVNWGTUHA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705862 1223472649 /nfs/dbraw/zinc/47/26/49/1223472649.db2.gz KQRCGAYDUULUDJ-HZPDHXFCSA-N 2 1 364.494 0.073 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001208596648 1223560944 /nfs/dbraw/zinc/56/09/44/1223560944.db2.gz WJHQRSNAFJGYPV-FQEVSTJZSA-N 2 1 366.550 0.879 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604198 1223561673 /nfs/dbraw/zinc/56/16/73/1223561673.db2.gz DKWRIYFAZIQANN-AYOQOUSVSA-N 2 1 363.502 0.848 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001208604878 1223561874 /nfs/dbraw/zinc/56/18/74/1223561874.db2.gz LSYIKFZAEJGHED-VQIMIIECSA-N 2 1 363.502 0.850 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952870 1223587719 /nfs/dbraw/zinc/58/77/19/1223587719.db2.gz WCCWCVAAZUNYKJ-CTNGQTDRSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952870 1223587721 /nfs/dbraw/zinc/58/77/21/1223587721.db2.gz WCCWCVAAZUNYKJ-CTNGQTDRSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208952870 1223587725 /nfs/dbraw/zinc/58/77/25/1223587725.db2.gz WCCWCVAAZUNYKJ-CTNGQTDRSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208952870 1223587728 /nfs/dbraw/zinc/58/77/28/1223587728.db2.gz WCCWCVAAZUNYKJ-CTNGQTDRSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CCC[C@@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)C1 ZINC001208957077 1223588234 /nfs/dbraw/zinc/58/82/34/1223588234.db2.gz JTWZBCRXIGNPIC-RDGPPVDQSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001208957077 1223588237 /nfs/dbraw/zinc/58/82/37/1223588237.db2.gz JTWZBCRXIGNPIC-RDGPPVDQSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001208957077 1223588240 /nfs/dbraw/zinc/58/82/40/1223588240.db2.gz JTWZBCRXIGNPIC-RDGPPVDQSA-N 2 1 360.506 0.931 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCOC[C@@]3(CC(=O)N(CC(F)F)C3)C2)CC1 ZINC001276637172 1223614698 /nfs/dbraw/zinc/61/46/98/1223614698.db2.gz XCDVKLXFXPGYDD-SFHVURJKSA-N 2 1 374.476 0.440 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667834 1223647940 /nfs/dbraw/zinc/64/79/40/1223647940.db2.gz LOSIKYICZKLUAD-IBGZPJMESA-N 2 1 370.513 0.677 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667834 1223647941 /nfs/dbraw/zinc/64/79/41/1223647941.db2.gz LOSIKYICZKLUAD-IBGZPJMESA-N 2 1 370.513 0.677 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667834 1223647942 /nfs/dbraw/zinc/64/79/42/1223647942.db2.gz LOSIKYICZKLUAD-IBGZPJMESA-N 2 1 370.513 0.677 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041905 1223663443 /nfs/dbraw/zinc/66/34/43/1223663443.db2.gz XOBOYPYSSMKBEX-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041905 1223663448 /nfs/dbraw/zinc/66/34/48/1223663448.db2.gz XOBOYPYSSMKBEX-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210041898 1223663612 /nfs/dbraw/zinc/66/36/12/1223663612.db2.gz XNOQFMFKSASWCE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210041898 1223663613 /nfs/dbraw/zinc/66/36/13/1223663613.db2.gz XNOQFMFKSASWCE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210041898 1223663614 /nfs/dbraw/zinc/66/36/14/1223663614.db2.gz XNOQFMFKSASWCE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210041898 1223663615 /nfs/dbraw/zinc/66/36/15/1223663615.db2.gz XNOQFMFKSASWCE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210041898 1223663617 /nfs/dbraw/zinc/66/36/17/1223663617.db2.gz XNOQFMFKSASWCE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298224 1223681183 /nfs/dbraw/zinc/68/11/83/1223681183.db2.gz MMWFXQYPSYPFDD-BRWVUGGUSA-N 2 1 370.538 0.552 20 0 FCADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298224 1223681186 /nfs/dbraw/zinc/68/11/86/1223681186.db2.gz MMWFXQYPSYPFDD-BRWVUGGUSA-N 2 1 370.538 0.552 20 0 FCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299229 1223681276 /nfs/dbraw/zinc/68/12/76/1223681276.db2.gz ZWKGIVGDITVWME-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299229 1223681280 /nfs/dbraw/zinc/68/12/80/1223681280.db2.gz ZWKGIVGDITVWME-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298351 1223681789 /nfs/dbraw/zinc/68/17/89/1223681789.db2.gz ORUGTISIGBNXSH-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314996 1223682300 /nfs/dbraw/zinc/68/23/00/1223682300.db2.gz HUINAMYUFPTYOX-CXAGYDPISA-N 2 1 361.446 0.738 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)n1 ZINC001210314742 1223682361 /nfs/dbraw/zinc/68/23/61/1223682361.db2.gz DTABEQFLKWWWIS-CZUORRHYSA-N 2 1 365.478 0.308 20 0 FCADMP COc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)n1 ZINC001210314742 1223682364 /nfs/dbraw/zinc/68/23/64/1223682364.db2.gz DTABEQFLKWWWIS-CZUORRHYSA-N 2 1 365.478 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1cncn1C ZINC001210723477 1223704406 /nfs/dbraw/zinc/70/44/06/1223704406.db2.gz LYTTXTPEYNMCKN-FVQBIDKESA-N 2 1 357.462 0.568 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cncn2C)C1 ZINC001210723079 1223704813 /nfs/dbraw/zinc/70/48/13/1223704813.db2.gz CQEDUBDWQRTNCP-GDBMZVCRSA-N 2 1 364.494 0.497 20 0 FCADMP CC(C)NC(=O)NCCN1C[C@@H](C)[C@H](NC(=O)CCc2cncn2C)C1 ZINC001210723079 1223704815 /nfs/dbraw/zinc/70/48/15/1223704815.db2.gz CQEDUBDWQRTNCP-GDBMZVCRSA-N 2 1 364.494 0.497 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026154 1223719908 /nfs/dbraw/zinc/71/99/08/1223719908.db2.gz UFBRCPNCLSMDTQ-KBRIMQKVSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026154 1223719910 /nfs/dbraw/zinc/71/99/10/1223719910.db2.gz UFBRCPNCLSMDTQ-KBRIMQKVSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211026154 1223719913 /nfs/dbraw/zinc/71/99/13/1223719913.db2.gz UFBRCPNCLSMDTQ-KBRIMQKVSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211026154 1223719916 /nfs/dbraw/zinc/71/99/16/1223719916.db2.gz UFBRCPNCLSMDTQ-KBRIMQKVSA-N 2 1 362.518 0.679 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350778 1223736563 /nfs/dbraw/zinc/73/65/63/1223736563.db2.gz YALSNQKQBCUCPS-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350778 1223736564 /nfs/dbraw/zinc/73/65/64/1223736564.db2.gz YALSNQKQBCUCPS-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001211367402 1223737641 /nfs/dbraw/zinc/73/76/41/1223737641.db2.gz SLPRYFPJTCKGJF-JFIYKMOQSA-N 2 1 367.490 0.934 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001211367402 1223737642 /nfs/dbraw/zinc/73/76/42/1223737642.db2.gz SLPRYFPJTCKGJF-JFIYKMOQSA-N 2 1 367.490 0.934 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001211367402 1223737644 /nfs/dbraw/zinc/73/76/44/1223737644.db2.gz SLPRYFPJTCKGJF-JFIYKMOQSA-N 2 1 367.490 0.934 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447690 1223742659 /nfs/dbraw/zinc/74/26/59/1223742659.db2.gz BQMVKUKTIHSTJN-KBAYOESNSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447690 1223742661 /nfs/dbraw/zinc/74/26/61/1223742661.db2.gz BQMVKUKTIHSTJN-KBAYOESNSA-N 2 1 358.486 0.786 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342126 1223788288 /nfs/dbraw/zinc/78/82/88/1223788288.db2.gz IAPGLJMKXCQHFD-ARFHVFGLSA-N 2 1 366.506 0.060 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399700 1223793939 /nfs/dbraw/zinc/79/39/39/1223793939.db2.gz HGNCDQNGJXPLFU-BRWVUGGUSA-N 2 1 366.510 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399700 1223793941 /nfs/dbraw/zinc/79/39/41/1223793941.db2.gz HGNCDQNGJXPLFU-BRWVUGGUSA-N 2 1 366.510 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576350 1223816166 /nfs/dbraw/zinc/81/61/66/1223816166.db2.gz KRESBHXHZXYNLY-RCCFBDPRSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576350 1223816169 /nfs/dbraw/zinc/81/61/69/1223816169.db2.gz KRESBHXHZXYNLY-RCCFBDPRSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576350 1223816170 /nfs/dbraw/zinc/81/61/70/1223816170.db2.gz KRESBHXHZXYNLY-RCCFBDPRSA-N 2 1 369.506 0.341 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1)OC ZINC001213576043 1223816301 /nfs/dbraw/zinc/81/63/01/1223816301.db2.gz FPUWMUYZZYXTLD-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1)OC ZINC001213576043 1223816305 /nfs/dbraw/zinc/81/63/05/1223816305.db2.gz FPUWMUYZZYXTLD-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638309 1223826160 /nfs/dbraw/zinc/82/61/60/1223826160.db2.gz IFGYHULLZHEYNA-QZTJIDSGSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728837 1223839976 /nfs/dbraw/zinc/83/99/76/1223839976.db2.gz VJYLFSZTIORURH-GVDBMIGSSA-N 2 1 367.490 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728837 1223839977 /nfs/dbraw/zinc/83/99/77/1223839977.db2.gz VJYLFSZTIORURH-GVDBMIGSSA-N 2 1 367.490 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728743 1223840143 /nfs/dbraw/zinc/84/01/43/1223840143.db2.gz RDJIIFZNYXUUFA-BRWVUGGUSA-N 2 1 367.490 0.093 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213757340 1223844838 /nfs/dbraw/zinc/84/48/38/1223844838.db2.gz DRWHTALLCMFOIF-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213765021 1223845838 /nfs/dbraw/zinc/84/58/38/1223845838.db2.gz QCHUBDFNNHGAEZ-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213765021 1223845839 /nfs/dbraw/zinc/84/58/39/1223845839.db2.gz QCHUBDFNNHGAEZ-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213765021 1223845842 /nfs/dbraw/zinc/84/58/42/1223845842.db2.gz QCHUBDFNNHGAEZ-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765005 1223846285 /nfs/dbraw/zinc/84/62/85/1223846285.db2.gz OTDNHGYWSOWELO-BZUAXINKSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765005 1223846287 /nfs/dbraw/zinc/84/62/87/1223846287.db2.gz OTDNHGYWSOWELO-BZUAXINKSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765005 1223846289 /nfs/dbraw/zinc/84/62/89/1223846289.db2.gz OTDNHGYWSOWELO-BZUAXINKSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213765201 1223846867 /nfs/dbraw/zinc/84/68/67/1223846867.db2.gz YSABTHFRACRKPL-HZPDHXFCSA-N 2 1 371.526 0.241 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213765201 1223846869 /nfs/dbraw/zinc/84/68/69/1223846869.db2.gz YSABTHFRACRKPL-HZPDHXFCSA-N 2 1 371.526 0.241 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213765201 1223846870 /nfs/dbraw/zinc/84/68/70/1223846870.db2.gz YSABTHFRACRKPL-HZPDHXFCSA-N 2 1 371.526 0.241 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213765201 1223846871 /nfs/dbraw/zinc/84/68/71/1223846871.db2.gz YSABTHFRACRKPL-HZPDHXFCSA-N 2 1 371.526 0.241 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921700 1223873266 /nfs/dbraw/zinc/87/32/66/1223873266.db2.gz HTMDDXAIFRWOMY-QZTJIDSGSA-N 2 1 363.506 0.920 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921700 1223873268 /nfs/dbraw/zinc/87/32/68/1223873268.db2.gz HTMDDXAIFRWOMY-QZTJIDSGSA-N 2 1 363.506 0.920 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213933635 1223875777 /nfs/dbraw/zinc/87/57/77/1223875777.db2.gz BTFWUQKHQDMWHP-BRWVUGGUSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213933635 1223875778 /nfs/dbraw/zinc/87/57/78/1223875778.db2.gz BTFWUQKHQDMWHP-BRWVUGGUSA-N 2 1 364.494 0.214 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccccc1F ZINC001214388730 1223906608 /nfs/dbraw/zinc/90/66/08/1223906608.db2.gz ITKOERCLRWLIDW-QGPMSJSTSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccccc1F ZINC001214388730 1223906611 /nfs/dbraw/zinc/90/66/11/1223906611.db2.gz ITKOERCLRWLIDW-QGPMSJSTSA-N 2 1 365.449 0.972 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214853356 1223948537 /nfs/dbraw/zinc/94/85/37/1223948537.db2.gz YWXYIQZNKXKKIM-KURKYZTESA-N 2 1 365.522 0.922 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)on1 ZINC001214973293 1223960494 /nfs/dbraw/zinc/96/04/94/1223960494.db2.gz QKLMPSSGIDVFFV-YUELXQCFSA-N 2 1 363.462 0.842 20 0 FCADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001215015627 1223964493 /nfs/dbraw/zinc/96/44/93/1223964493.db2.gz XQLHNLUITUYCBR-GDBMZVCRSA-N 2 1 357.462 0.673 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155806 1223978814 /nfs/dbraw/zinc/97/88/14/1223978814.db2.gz KXOMQFUSQWLAJR-VNQPRFMTSA-N 2 1 365.478 0.169 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215184394 1223980581 /nfs/dbraw/zinc/98/05/81/1223980581.db2.gz BRUKSHXXCPOLPE-CQNSDRIQSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001215414310 1223998552 /nfs/dbraw/zinc/99/85/52/1223998552.db2.gz SPMGJTDTKWPOIN-ZIAGYGMSSA-N 2 1 363.510 0.706 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@H]2C)[nH]1 ZINC001215599121 1224009001 /nfs/dbraw/zinc/00/90/01/1224009001.db2.gz RTIZSEMLZPUZQU-IIAWOOMASA-N 2 1 364.494 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216383815 1224048029 /nfs/dbraw/zinc/04/80/29/1224048029.db2.gz QGARHMYUOQZQMP-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216502450 1224053456 /nfs/dbraw/zinc/05/34/56/1224053456.db2.gz BJWBNDOOBJNKJF-RBSFLKMASA-N 2 1 362.478 0.582 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216510867 1224053487 /nfs/dbraw/zinc/05/34/87/1224053487.db2.gz BNKPQYSXWOIERE-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216845031 1224078774 /nfs/dbraw/zinc/07/87/74/1224078774.db2.gz URKOJPHXZORWHO-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)c1nnnn1C ZINC001216979802 1224082819 /nfs/dbraw/zinc/08/28/19/1224082819.db2.gz AMAWGCOVGGYBRH-BZUAXINKSA-N 2 1 363.510 0.974 20 0 FCADMP COc1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)on1 ZINC000985494826 1248943007 /nfs/dbraw/zinc/94/30/07/1248943007.db2.gz HPWBJIONDXXICN-CZUORRHYSA-N 2 1 366.462 0.825 20 0 FCADMP COc1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)on1 ZINC000985494826 1248943016 /nfs/dbraw/zinc/94/30/16/1248943016.db2.gz HPWBJIONDXXICN-CZUORRHYSA-N 2 1 366.462 0.825 20 0 FCADMP COc1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC000985494826 1248943025 /nfs/dbraw/zinc/94/30/25/1248943025.db2.gz HPWBJIONDXXICN-CZUORRHYSA-N 2 1 366.462 0.825 20 0 FCADMP COc1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC000985494826 1248943042 /nfs/dbraw/zinc/94/30/42/1248943042.db2.gz HPWBJIONDXXICN-CZUORRHYSA-N 2 1 366.462 0.825 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987463442 1249029467 /nfs/dbraw/zinc/02/94/67/1249029467.db2.gz HNCUQCPZIDFESG-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000988094748 1249339631 /nfs/dbraw/zinc/33/96/31/1249339631.db2.gz MEPYUNNIJWAJQC-JFIYKMOQSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993435143 1249533743 /nfs/dbraw/zinc/53/37/43/1249533743.db2.gz HRPXXVMEFULIGR-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000993876374 1250038364 /nfs/dbraw/zinc/03/83/64/1250038364.db2.gz WQYREAHPDFQGAC-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000993876374 1250038372 /nfs/dbraw/zinc/03/83/72/1250038372.db2.gz WQYREAHPDFQGAC-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000993876374 1250038385 /nfs/dbraw/zinc/03/83/85/1250038385.db2.gz WQYREAHPDFQGAC-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000993876374 1250038406 /nfs/dbraw/zinc/03/84/06/1250038406.db2.gz WQYREAHPDFQGAC-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986064 1245316308 /nfs/dbraw/zinc/31/63/08/1245316308.db2.gz FCWNYXAIPXNXPK-GVDBMIGSSA-N 2 1 374.441 0.317 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986064 1245316312 /nfs/dbraw/zinc/31/63/12/1245316312.db2.gz FCWNYXAIPXNXPK-GVDBMIGSSA-N 2 1 374.441 0.317 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891538400 1245453420 /nfs/dbraw/zinc/45/34/20/1245453420.db2.gz XQXXMPQRIRADPN-SFHVURJKSA-N 2 1 373.501 0.553 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891569637 1245455784 /nfs/dbraw/zinc/45/57/84/1245455784.db2.gz RWXYFSMMKAVPQB-ZACQAIPSSA-N 2 1 358.490 0.738 20 0 FCADMP CN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1(C[NH3+])CCCCC1 ZINC000891563291 1245455827 /nfs/dbraw/zinc/45/58/27/1245455827.db2.gz CMKIDXQCBPCIBU-QGZVFWFLSA-N 2 1 367.538 0.696 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923318389 1245707212 /nfs/dbraw/zinc/70/72/12/1245707212.db2.gz IVJSNRUZGYCYEY-KSZLIROESA-N 2 1 364.534 0.487 20 0 FCADMP COC(=O)c1cncc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329363 1245709710 /nfs/dbraw/zinc/70/97/10/1245709710.db2.gz SSRZCEDJUQSHPF-YOEHRIQHSA-N 2 1 360.458 0.948 20 0 FCADMP COC(=O)c1cncc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329363 1245709715 /nfs/dbraw/zinc/70/97/15/1245709715.db2.gz SSRZCEDJUQSHPF-YOEHRIQHSA-N 2 1 360.458 0.948 20 0 FCADMP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000925003437 1245737573 /nfs/dbraw/zinc/73/75/73/1245737573.db2.gz UXXXPYZOAJSJOQ-SJORKVTESA-N 2 1 358.486 0.998 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000938184079 1245835421 /nfs/dbraw/zinc/83/54/21/1245835421.db2.gz UQSFFUJZUQKJOG-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000938184079 1245835427 /nfs/dbraw/zinc/83/54/27/1245835427.db2.gz UQSFFUJZUQKJOG-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000938717854 1245902075 /nfs/dbraw/zinc/90/20/75/1245902075.db2.gz XHMLZBGCLBPQLB-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000938717854 1245902080 /nfs/dbraw/zinc/90/20/80/1245902080.db2.gz XHMLZBGCLBPQLB-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000938717854 1245902086 /nfs/dbraw/zinc/90/20/86/1245902086.db2.gz XHMLZBGCLBPQLB-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000938717854 1245902093 /nfs/dbraw/zinc/90/20/93/1245902093.db2.gz XHMLZBGCLBPQLB-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938766713 1245913303 /nfs/dbraw/zinc/91/33/03/1245913303.db2.gz FLKWTQNEDQRFEW-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938766713 1245913321 /nfs/dbraw/zinc/91/33/21/1245913321.db2.gz FLKWTQNEDQRFEW-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000939491214 1246077185 /nfs/dbraw/zinc/07/71/85/1246077185.db2.gz TZTXZJBUKBSDJZ-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548486 1247122172 /nfs/dbraw/zinc/12/21/72/1247122172.db2.gz XERBAJRQYUOWNX-IAGOWNOFSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000942816886 1247193290 /nfs/dbraw/zinc/19/32/90/1247193290.db2.gz ZSSDNHFTZCVWRL-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000942816886 1247193296 /nfs/dbraw/zinc/19/32/96/1247193296.db2.gz ZSSDNHFTZCVWRL-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000942876548 1247208806 /nfs/dbraw/zinc/20/88/06/1247208806.db2.gz KBEHYUAXDGJTEY-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000943284214 1247286214 /nfs/dbraw/zinc/28/62/14/1247286214.db2.gz AYELUJZWNUODLW-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CCO2)CC[N@H+]1C ZINC000944619559 1247585668 /nfs/dbraw/zinc/58/56/68/1247585668.db2.gz ZCHRDNRTYKIYFB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CCO2)CC[NH+]1C ZINC000944619559 1247585677 /nfs/dbraw/zinc/58/56/77/1247585677.db2.gz ZCHRDNRTYKIYFB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CCO2)CC[NH+]1C ZINC000944619559 1247585686 /nfs/dbraw/zinc/58/56/86/1247585686.db2.gz ZCHRDNRTYKIYFB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]3CC2)CC[N@H+]1C ZINC000946594954 1247908817 /nfs/dbraw/zinc/90/88/17/1247908817.db2.gz BIGUYXCVCMXAJO-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]3CC2)CC[NH+]1C ZINC000946594954 1247908827 /nfs/dbraw/zinc/90/88/27/1247908827.db2.gz BIGUYXCVCMXAJO-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]3CC2)CC[NH+]1C ZINC000946594954 1247908837 /nfs/dbraw/zinc/90/88/37/1247908837.db2.gz BIGUYXCVCMXAJO-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946597674 1247909572 /nfs/dbraw/zinc/90/95/72/1247909572.db2.gz FROMJGCSEVCTCJ-IGKNDFSCSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597674 1247909578 /nfs/dbraw/zinc/90/95/78/1247909578.db2.gz FROMJGCSEVCTCJ-IGKNDFSCSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597674 1247909582 /nfs/dbraw/zinc/90/95/82/1247909582.db2.gz FROMJGCSEVCTCJ-IGKNDFSCSA-N 2 1 362.518 0.776 20 0 FCADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327929844 1265455610 /nfs/dbraw/zinc/45/56/10/1265455610.db2.gz VZDZLRJFRBSHHN-DZGCQCFKSA-N 2 1 358.450 0.113 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976595504 1248268951 /nfs/dbraw/zinc/26/89/51/1248268951.db2.gz LXMZUOYOGDWGOZ-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976595504 1248268964 /nfs/dbraw/zinc/26/89/64/1248268964.db2.gz LXMZUOYOGDWGOZ-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976595504 1248268975 /nfs/dbraw/zinc/26/89/75/1248268975.db2.gz LXMZUOYOGDWGOZ-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]32)CC[N@H+]1C ZINC000976600983 1248280152 /nfs/dbraw/zinc/28/01/52/1248280152.db2.gz HVSCUMBAZUQXIW-YGTFVGLLSA-N 2 1 360.502 0.241 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000976750234 1248380031 /nfs/dbraw/zinc/38/00/31/1248380031.db2.gz VZXHCUADJSHNMU-LSPIHWNJSA-N 2 1 371.485 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000976768102 1248393508 /nfs/dbraw/zinc/39/35/08/1248393508.db2.gz WTVSEFFGPJXBRL-QBPKDAKJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994333036 1250381228 /nfs/dbraw/zinc/38/12/28/1250381228.db2.gz RMYOVOYYYGHDJI-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498353 1265519208 /nfs/dbraw/zinc/51/92/08/1265519208.db2.gz YSEDNCXRHRTLHH-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000996710304 1251421191 /nfs/dbraw/zinc/42/11/91/1251421191.db2.gz BXDKNOKVTCDTKT-CZUORRHYSA-N 2 1 363.462 0.285 20 0 FCADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000996710304 1251421199 /nfs/dbraw/zinc/42/11/99/1251421199.db2.gz BXDKNOKVTCDTKT-CZUORRHYSA-N 2 1 363.462 0.285 20 0 FCADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996713486 1251422811 /nfs/dbraw/zinc/42/28/11/1251422811.db2.gz VLHRBOPMATXTTG-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996713486 1251422814 /nfs/dbraw/zinc/42/28/14/1251422814.db2.gz VLHRBOPMATXTTG-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000998062485 1251769679 /nfs/dbraw/zinc/76/96/79/1251769679.db2.gz HRTLOZUTHBKLSJ-QZWWFDLISA-N 2 1 360.502 0.815 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC000998467526 1251890051 /nfs/dbraw/zinc/89/00/51/1251890051.db2.gz XCBGDCGVZABLQQ-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC000998467526 1251890063 /nfs/dbraw/zinc/89/00/63/1251890063.db2.gz XCBGDCGVZABLQQ-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP CCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000998794237 1251968833 /nfs/dbraw/zinc/96/88/33/1251968833.db2.gz OLKRPFPROSIJIU-SSHXOBKSSA-N 2 1 363.510 0.892 20 0 FCADMP CCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000998794237 1251968839 /nfs/dbraw/zinc/96/88/39/1251968839.db2.gz OLKRPFPROSIJIU-SSHXOBKSSA-N 2 1 363.510 0.892 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999209214 1252070419 /nfs/dbraw/zinc/07/04/19/1252070419.db2.gz OXJLSZXUXCTRFT-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999498615 1252128014 /nfs/dbraw/zinc/12/80/14/1252128014.db2.gz XADBPMKNWAGPON-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999498615 1252128029 /nfs/dbraw/zinc/12/80/29/1252128029.db2.gz XADBPMKNWAGPON-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCF)C3)nn2)O1 ZINC000999994382 1252264795 /nfs/dbraw/zinc/26/47/95/1252264795.db2.gz XFUVPVTVOLFHGL-VNQPRFMTSA-N 2 1 368.457 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCF)C3)nn2)O1 ZINC000999994382 1252264803 /nfs/dbraw/zinc/26/48/03/1252264803.db2.gz XFUVPVTVOLFHGL-VNQPRFMTSA-N 2 1 368.457 0.220 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCCF)C3)nn2)O1 ZINC000999994382 1252264812 /nfs/dbraw/zinc/26/48/12/1252264812.db2.gz XFUVPVTVOLFHGL-VNQPRFMTSA-N 2 1 368.457 0.220 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCCF)C3)nn2)O1 ZINC000999994382 1252264819 /nfs/dbraw/zinc/26/48/19/1252264819.db2.gz XFUVPVTVOLFHGL-VNQPRFMTSA-N 2 1 368.457 0.220 20 0 FCADMP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001534217 1252282583 /nfs/dbraw/zinc/28/25/83/1252282583.db2.gz VHLXAGIMACLEEB-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001534217 1252282594 /nfs/dbraw/zinc/28/25/94/1252282594.db2.gz VHLXAGIMACLEEB-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002241674 1252485617 /nfs/dbraw/zinc/48/56/17/1252485617.db2.gz AAZQBWGOKNSMPC-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002241674 1252485623 /nfs/dbraw/zinc/48/56/23/1252485623.db2.gz AAZQBWGOKNSMPC-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002241674 1252485628 /nfs/dbraw/zinc/48/56/28/1252485628.db2.gz AAZQBWGOKNSMPC-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC001002882380 1252727973 /nfs/dbraw/zinc/72/79/73/1252727973.db2.gz CFKPJCJAHPKYQW-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC001002882380 1252727981 /nfs/dbraw/zinc/72/79/81/1252727981.db2.gz CFKPJCJAHPKYQW-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002882380 1252727987 /nfs/dbraw/zinc/72/79/87/1252727987.db2.gz CFKPJCJAHPKYQW-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002882380 1252727994 /nfs/dbraw/zinc/72/79/94/1252727994.db2.gz CFKPJCJAHPKYQW-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002886098 1252731050 /nfs/dbraw/zinc/73/10/50/1252731050.db2.gz YGACAZYMXMXVCE-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002886098 1252731052 /nfs/dbraw/zinc/73/10/52/1252731052.db2.gz YGACAZYMXMXVCE-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002886098 1252731058 /nfs/dbraw/zinc/73/10/58/1252731058.db2.gz YGACAZYMXMXVCE-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002886098 1252731062 /nfs/dbraw/zinc/73/10/62/1252731062.db2.gz YGACAZYMXMXVCE-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)O1 ZINC001003137066 1252789831 /nfs/dbraw/zinc/78/98/31/1252789831.db2.gz HQDQUHMOTHKPSS-FVQBIDKESA-N 2 1 362.478 0.065 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)O1 ZINC001003137066 1252789840 /nfs/dbraw/zinc/78/98/40/1252789840.db2.gz HQDQUHMOTHKPSS-FVQBIDKESA-N 2 1 362.478 0.065 20 0 FCADMP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001004211810 1253247983 /nfs/dbraw/zinc/24/79/83/1253247983.db2.gz SJSWIAIAXCDGGE-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001004211810 1253247994 /nfs/dbraw/zinc/24/79/94/1253247994.db2.gz SJSWIAIAXCDGGE-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001004211810 1253248006 /nfs/dbraw/zinc/24/80/06/1253248006.db2.gz SJSWIAIAXCDGGE-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917252 1253849407 /nfs/dbraw/zinc/84/94/07/1253849407.db2.gz YKARFXVXCWFZPX-FVQBIDKESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917252 1253849423 /nfs/dbraw/zinc/84/94/23/1253849423.db2.gz YKARFXVXCWFZPX-FVQBIDKESA-N 2 1 364.494 0.264 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465891 1253855602 /nfs/dbraw/zinc/85/56/02/1253855602.db2.gz YSEVOAGTJIXRSY-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465891 1253855613 /nfs/dbraw/zinc/85/56/13/1253855613.db2.gz YSEVOAGTJIXRSY-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465891 1253855625 /nfs/dbraw/zinc/85/56/25/1253855625.db2.gz YSEVOAGTJIXRSY-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465891 1253855640 /nfs/dbraw/zinc/85/56/40/1253855640.db2.gz YSEVOAGTJIXRSY-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767136 1253871487 /nfs/dbraw/zinc/87/14/87/1253871487.db2.gz LFGQIOCMEWMCAP-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767136 1253871496 /nfs/dbraw/zinc/87/14/96/1253871496.db2.gz LFGQIOCMEWMCAP-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767136 1253871507 /nfs/dbraw/zinc/87/15/07/1253871507.db2.gz LFGQIOCMEWMCAP-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767136 1253871515 /nfs/dbraw/zinc/87/15/15/1253871515.db2.gz LFGQIOCMEWMCAP-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994211 1253912642 /nfs/dbraw/zinc/91/26/42/1253912642.db2.gz QRDRVCULJOMACI-OLMNPRSZSA-N 2 1 358.486 0.514 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994211 1253912665 /nfs/dbraw/zinc/91/26/65/1253912665.db2.gz QRDRVCULJOMACI-OLMNPRSZSA-N 2 1 358.486 0.514 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001033838259 1253968945 /nfs/dbraw/zinc/96/89/45/1253968945.db2.gz MOXIKFRFDNALMZ-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033838259 1253968953 /nfs/dbraw/zinc/96/89/53/1253968953.db2.gz MOXIKFRFDNALMZ-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033838259 1253968962 /nfs/dbraw/zinc/96/89/62/1253968962.db2.gz MOXIKFRFDNALMZ-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001034741768 1254005367 /nfs/dbraw/zinc/00/53/67/1254005367.db2.gz KLKPXGGKOTWRJI-TVFCKZIOSA-N 2 1 358.486 0.834 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939461 1254010570 /nfs/dbraw/zinc/01/05/70/1254010570.db2.gz BDEDLUMQVJHVFZ-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939461 1254010584 /nfs/dbraw/zinc/01/05/84/1254010584.db2.gz BDEDLUMQVJHVFZ-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)CC1 ZINC001035370431 1254025458 /nfs/dbraw/zinc/02/54/58/1254025458.db2.gz LRRMBTOAHOHBGX-OTWHNJEPSA-N 2 1 365.518 0.960 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001061622238 1254194449 /nfs/dbraw/zinc/19/44/49/1254194449.db2.gz NYOALDRLEVXLKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001061622238 1254194452 /nfs/dbraw/zinc/19/44/52/1254194452.db2.gz NYOALDRLEVXLKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001061622238 1254194457 /nfs/dbraw/zinc/19/44/57/1254194457.db2.gz NYOALDRLEVXLKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001061663013 1254201273 /nfs/dbraw/zinc/20/12/73/1254201273.db2.gz FNYJJIAOCFJDCZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001061663013 1254201286 /nfs/dbraw/zinc/20/12/86/1254201286.db2.gz FNYJJIAOCFJDCZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001061663013 1254201305 /nfs/dbraw/zinc/20/13/05/1254201305.db2.gz FNYJJIAOCFJDCZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001061826562 1254228336 /nfs/dbraw/zinc/22/83/36/1254228336.db2.gz CNJPDRDRXZPENX-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062250629 1254252728 /nfs/dbraw/zinc/25/27/28/1254252728.db2.gz VMMZOCHHJKZQMO-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062250629 1254252734 /nfs/dbraw/zinc/25/27/34/1254252734.db2.gz VMMZOCHHJKZQMO-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062250629 1254252740 /nfs/dbraw/zinc/25/27/40/1254252740.db2.gz VMMZOCHHJKZQMO-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062250629 1254252747 /nfs/dbraw/zinc/25/27/47/1254252747.db2.gz VMMZOCHHJKZQMO-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001062263316 1254255637 /nfs/dbraw/zinc/25/56/37/1254255637.db2.gz FFGZPLDWPJTKKQ-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001062263316 1254255652 /nfs/dbraw/zinc/25/56/52/1254255652.db2.gz FFGZPLDWPJTKKQ-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C3CC[NH+](C)CC3)CCC2)O1 ZINC001063496773 1254353046 /nfs/dbraw/zinc/35/30/46/1254353046.db2.gz GQGIZPKHJSGHLV-GDBMZVCRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C3CC[NH+](C)CC3)CCC2)O1 ZINC001063496773 1254353057 /nfs/dbraw/zinc/35/30/57/1254353057.db2.gz GQGIZPKHJSGHLV-GDBMZVCRSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001077765640 1254960872 /nfs/dbraw/zinc/96/08/72/1254960872.db2.gz WXLPXGYNWYUYJF-BRWVUGGUSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001077765640 1254960880 /nfs/dbraw/zinc/96/08/80/1254960880.db2.gz WXLPXGYNWYUYJF-BRWVUGGUSA-N 2 1 364.490 0.985 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001077765595 1254960918 /nfs/dbraw/zinc/96/09/18/1254960918.db2.gz VEXOBIRUNLKVSK-BHUNQDJPSA-N 2 1 364.490 0.983 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001077765595 1254960924 /nfs/dbraw/zinc/96/09/24/1254960924.db2.gz VEXOBIRUNLKVSK-BHUNQDJPSA-N 2 1 364.490 0.983 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2O)cn1 ZINC001077817957 1255018738 /nfs/dbraw/zinc/01/87/38/1255018738.db2.gz BSRWPVUHGOMZSJ-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)cc1 ZINC001077844192 1255041422 /nfs/dbraw/zinc/04/14/22/1255041422.db2.gz ZVXFNRROEHHIHR-BHIYHBOVSA-N 2 1 361.486 0.950 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978579 1255142660 /nfs/dbraw/zinc/14/26/60/1255142660.db2.gz KFRMIEVHOGTMLU-BHIYHBOVSA-N 2 1 365.518 0.696 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078007584 1255164544 /nfs/dbraw/zinc/16/45/44/1255164544.db2.gz USPLPPQASFMVMJ-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078007584 1255164547 /nfs/dbraw/zinc/16/45/47/1255164547.db2.gz USPLPPQASFMVMJ-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007584 1255164550 /nfs/dbraw/zinc/16/45/50/1255164550.db2.gz USPLPPQASFMVMJ-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007584 1255164554 /nfs/dbraw/zinc/16/45/54/1255164554.db2.gz USPLPPQASFMVMJ-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210043 1255326165 /nfs/dbraw/zinc/32/61/65/1255326165.db2.gz SSWCNMYHLNZQCF-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210043 1255326172 /nfs/dbraw/zinc/32/61/72/1255326172.db2.gz SSWCNMYHLNZQCF-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210043 1255326179 /nfs/dbraw/zinc/32/61/79/1255326179.db2.gz SSWCNMYHLNZQCF-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210043 1255326190 /nfs/dbraw/zinc/32/61/90/1255326190.db2.gz SSWCNMYHLNZQCF-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259651 1255491911 /nfs/dbraw/zinc/49/19/11/1255491911.db2.gz MHEXAXMIVYBQOZ-FGTMMUONSA-N 2 1 365.518 0.650 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270333 1255496647 /nfs/dbraw/zinc/49/66/47/1255496647.db2.gz NAKVAUHZOWJJPS-FGTMMUONSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698075 1255577661 /nfs/dbraw/zinc/57/76/61/1255577661.db2.gz IVLHEFLOHCTRHL-KFWWJZLASA-N 2 1 364.490 0.493 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698075 1255577668 /nfs/dbraw/zinc/57/76/68/1255577668.db2.gz IVLHEFLOHCTRHL-KFWWJZLASA-N 2 1 364.490 0.493 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710359 1255582539 /nfs/dbraw/zinc/58/25/39/1255582539.db2.gz FFGWVCKHCNFZCS-XOKHGSTOSA-N 2 1 359.474 0.764 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710359 1255582547 /nfs/dbraw/zinc/58/25/47/1255582547.db2.gz FFGWVCKHCNFZCS-XOKHGSTOSA-N 2 1 359.474 0.764 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)ncn1 ZINC001079717736 1255585605 /nfs/dbraw/zinc/58/56/05/1255585605.db2.gz ZDEVRYOYUZGTPM-RDTXWAMCSA-N 2 1 371.489 0.793 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)ncn1 ZINC001079717736 1255585612 /nfs/dbraw/zinc/58/56/12/1255585612.db2.gz ZDEVRYOYUZGTPM-RDTXWAMCSA-N 2 1 371.489 0.793 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844827 1255630843 /nfs/dbraw/zinc/63/08/43/1255630843.db2.gz DAETXSKEDMHGEM-IXDOHACOSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844827 1255630849 /nfs/dbraw/zinc/63/08/49/1255630849.db2.gz DAETXSKEDMHGEM-IXDOHACOSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844827 1255630856 /nfs/dbraw/zinc/63/08/56/1255630856.db2.gz DAETXSKEDMHGEM-IXDOHACOSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001079847553 1255631537 /nfs/dbraw/zinc/63/15/37/1255631537.db2.gz LKJPPDJBZYFKHB-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001079847553 1255631546 /nfs/dbraw/zinc/63/15/46/1255631546.db2.gz LKJPPDJBZYFKHB-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001079847553 1255631555 /nfs/dbraw/zinc/63/15/55/1255631555.db2.gz LKJPPDJBZYFKHB-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001079847553 1255631559 /nfs/dbraw/zinc/63/15/59/1255631559.db2.gz LKJPPDJBZYFKHB-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079948849 1255676859 /nfs/dbraw/zinc/67/68/59/1255676859.db2.gz CDGKWNQONTVHJC-RBSFLKMASA-N 2 1 362.474 0.104 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079948849 1255676870 /nfs/dbraw/zinc/67/68/70/1255676870.db2.gz CDGKWNQONTVHJC-RBSFLKMASA-N 2 1 362.474 0.104 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949225 1255677215 /nfs/dbraw/zinc/67/72/15/1255677215.db2.gz UEQYKXWBMCLSIA-BFYDXBDKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949225 1255677222 /nfs/dbraw/zinc/67/72/22/1255677222.db2.gz UEQYKXWBMCLSIA-BFYDXBDKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037706 1255719887 /nfs/dbraw/zinc/71/98/87/1255719887.db2.gz RMTTZVYSIRTLMW-NVXWUHKLSA-N 2 1 358.486 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001080138283 1255755770 /nfs/dbraw/zinc/75/57/70/1255755770.db2.gz FKRHKMYGQAUEAF-DLBZAZTESA-N 2 1 368.522 0.354 20 0 FCADMP CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080189559 1255778934 /nfs/dbraw/zinc/77/89/34/1255778934.db2.gz ZHEZQLJNLFZDKQ-DJIMGWMZSA-N 2 1 368.522 0.351 20 0 FCADMP CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080189559 1255778940 /nfs/dbraw/zinc/77/89/40/1255778940.db2.gz ZHEZQLJNLFZDKQ-DJIMGWMZSA-N 2 1 368.522 0.351 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080190863 1255779782 /nfs/dbraw/zinc/77/97/82/1255779782.db2.gz KVACWPDKLFUKNW-CRAIPNDOSA-N 2 1 360.502 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080190863 1255779788 /nfs/dbraw/zinc/77/97/88/1255779788.db2.gz KVACWPDKLFUKNW-CRAIPNDOSA-N 2 1 360.502 0.929 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001080342532 1255855388 /nfs/dbraw/zinc/85/53/88/1255855388.db2.gz ZMJMXBSCDWMPMV-FRFSOERESA-N 2 1 357.462 0.482 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001080342532 1255855394 /nfs/dbraw/zinc/85/53/94/1255855394.db2.gz ZMJMXBSCDWMPMV-FRFSOERESA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080449766 1255895044 /nfs/dbraw/zinc/89/50/44/1255895044.db2.gz YLFFEKQTFCAATM-BRWVUGGUSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080449766 1255895050 /nfs/dbraw/zinc/89/50/50/1255895050.db2.gz YLFFEKQTFCAATM-BRWVUGGUSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080449766 1255895056 /nfs/dbraw/zinc/89/50/56/1255895056.db2.gz YLFFEKQTFCAATM-BRWVUGGUSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787601 1256038929 /nfs/dbraw/zinc/03/89/29/1256038929.db2.gz JHICOICSPBVFCZ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787601 1256038937 /nfs/dbraw/zinc/03/89/37/1256038937.db2.gz JHICOICSPBVFCZ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976716 1256121527 /nfs/dbraw/zinc/12/15/27/1256121527.db2.gz GZUBTLNTKBJVEO-OLMNPRSZSA-N 2 1 363.506 0.657 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976716 1256121529 /nfs/dbraw/zinc/12/15/29/1256121529.db2.gz GZUBTLNTKBJVEO-OLMNPRSZSA-N 2 1 363.506 0.657 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976716 1256121537 /nfs/dbraw/zinc/12/15/37/1256121537.db2.gz GZUBTLNTKBJVEO-OLMNPRSZSA-N 2 1 363.506 0.657 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976716 1256121545 /nfs/dbraw/zinc/12/15/45/1256121545.db2.gz GZUBTLNTKBJVEO-OLMNPRSZSA-N 2 1 363.506 0.657 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081124392 1256188169 /nfs/dbraw/zinc/18/81/69/1256188169.db2.gz DEWAPOGBGABUGQ-KSZLIROESA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081127140 1256188949 /nfs/dbraw/zinc/18/89/49/1256188949.db2.gz YEBJWUWKXIRDPS-OKZBNKHCSA-N 2 1 358.486 0.930 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081150870 1256193005 /nfs/dbraw/zinc/19/30/05/1256193005.db2.gz IBYLGTACTSOUAU-AWUNBKGKSA-N 2 1 371.481 0.426 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081788521 1256370198 /nfs/dbraw/zinc/37/01/98/1256370198.db2.gz SHMWMMWUZLNIDU-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081788521 1256370205 /nfs/dbraw/zinc/37/02/05/1256370205.db2.gz SHMWMMWUZLNIDU-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081788521 1256370211 /nfs/dbraw/zinc/37/02/11/1256370211.db2.gz SHMWMMWUZLNIDU-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081788521 1256370219 /nfs/dbraw/zinc/37/02/19/1256370219.db2.gz SHMWMMWUZLNIDU-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799294 1256378063 /nfs/dbraw/zinc/37/80/63/1256378063.db2.gz KXEQJPQGMFCIPA-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799294 1256378069 /nfs/dbraw/zinc/37/80/69/1256378069.db2.gz KXEQJPQGMFCIPA-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799294 1256378073 /nfs/dbraw/zinc/37/80/73/1256378073.db2.gz KXEQJPQGMFCIPA-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932375 1256458370 /nfs/dbraw/zinc/45/83/70/1256458370.db2.gz BOTVFEYRXHLBJJ-KBRIMQKVSA-N 2 1 359.430 0.731 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947189 1256467751 /nfs/dbraw/zinc/46/77/51/1256467751.db2.gz PLQOFDOSELZQOL-IAGOWNOFSA-N 2 1 354.414 0.660 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947189 1256467755 /nfs/dbraw/zinc/46/77/55/1256467755.db2.gz PLQOFDOSELZQOL-IAGOWNOFSA-N 2 1 354.414 0.660 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133784 1256550563 /nfs/dbraw/zinc/55/05/63/1256550563.db2.gz PXDGJTFQSNKXKH-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133784 1256550567 /nfs/dbraw/zinc/55/05/67/1256550567.db2.gz PXDGJTFQSNKXKH-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133784 1256550574 /nfs/dbraw/zinc/55/05/74/1256550574.db2.gz PXDGJTFQSNKXKH-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133784 1256550583 /nfs/dbraw/zinc/55/05/83/1256550583.db2.gz PXDGJTFQSNKXKH-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135020 1256552077 /nfs/dbraw/zinc/55/20/77/1256552077.db2.gz LXEJUVHZFKHJBP-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135020 1256552080 /nfs/dbraw/zinc/55/20/80/1256552080.db2.gz LXEJUVHZFKHJBP-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135020 1256552086 /nfs/dbraw/zinc/55/20/86/1256552086.db2.gz LXEJUVHZFKHJBP-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135020 1256552088 /nfs/dbraw/zinc/55/20/88/1256552088.db2.gz LXEJUVHZFKHJBP-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082458098 1256770507 /nfs/dbraw/zinc/77/05/07/1256770507.db2.gz XVZHYZYCWYYTRR-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082458098 1256770509 /nfs/dbraw/zinc/77/05/09/1256770509.db2.gz XVZHYZYCWYYTRR-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082561921 1256859240 /nfs/dbraw/zinc/85/92/40/1256859240.db2.gz ZPYZEODROOZBQE-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[NH+](C)C ZINC001082574977 1256884704 /nfs/dbraw/zinc/88/47/04/1256884704.db2.gz DAZQQKPIDXGMLH-CPUCHLNUSA-N 2 1 364.494 0.331 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001082590087 1256904020 /nfs/dbraw/zinc/90/40/20/1256904020.db2.gz BNJFSWJOHLBHQS-JOCBIADPSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001082590087 1256904022 /nfs/dbraw/zinc/90/40/22/1256904022.db2.gz BNJFSWJOHLBHQS-JOCBIADPSA-N 2 1 363.506 0.601 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1 ZINC001082646214 1256950687 /nfs/dbraw/zinc/95/06/87/1256950687.db2.gz DQSONHDYASPFNG-BFYDXBDKSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)co1 ZINC001082653333 1256957724 /nfs/dbraw/zinc/95/77/24/1256957724.db2.gz GCRKDPSWHDVZSP-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)co1 ZINC001082653333 1256957726 /nfs/dbraw/zinc/95/77/26/1256957726.db2.gz GCRKDPSWHDVZSP-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)on1 ZINC001082653542 1256958299 /nfs/dbraw/zinc/95/82/99/1256958299.db2.gz PXHAIYDCPHBTLL-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082653663 1256960007 /nfs/dbraw/zinc/96/00/07/1256960007.db2.gz XBZLOLUYODYURJ-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082719346 1257008549 /nfs/dbraw/zinc/00/85/49/1257008549.db2.gz AXWAZUGHDRUHNY-GDBMZVCRSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082743542 1257023631 /nfs/dbraw/zinc/02/36/31/1257023631.db2.gz KAOZFFAAQZGCNJ-UKRRQHHQSA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082743542 1257023641 /nfs/dbraw/zinc/02/36/41/1257023641.db2.gz KAOZFFAAQZGCNJ-UKRRQHHQSA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082784312 1257047867 /nfs/dbraw/zinc/04/78/67/1257047867.db2.gz OAFFNGFQIUVVOH-GDBMZVCRSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082822035 1257080991 /nfs/dbraw/zinc/08/09/91/1257080991.db2.gz FJQBMLTTZXTBLZ-HZPDHXFCSA-N 2 1 366.485 0.916 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001082828811 1257086534 /nfs/dbraw/zinc/08/65/34/1257086534.db2.gz JYEYIZIYZILYOF-XJKCOSOUSA-N 2 1 364.494 0.721 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082851818 1257104705 /nfs/dbraw/zinc/10/47/05/1257104705.db2.gz DZFQGCROZCKIKI-RDTXWAMCSA-N 2 1 360.506 0.874 20 0 FCADMP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863125 1257113794 /nfs/dbraw/zinc/11/37/94/1257113794.db2.gz MMKZNOPNWMHLPP-HZPDHXFCSA-N 2 1 360.506 0.966 20 0 FCADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001082920793 1257145001 /nfs/dbraw/zinc/14/50/01/1257145001.db2.gz FBOUYIFUZBSJSJ-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001082922470 1257146375 /nfs/dbraw/zinc/14/63/75/1257146375.db2.gz GIYPQIIFUVPJGF-IUODEOHRSA-N 2 1 369.429 0.164 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106580 1257320542 /nfs/dbraw/zinc/32/05/42/1257320542.db2.gz KWSIVCJPOKUOHS-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106580 1257320550 /nfs/dbraw/zinc/32/05/50/1257320550.db2.gz KWSIVCJPOKUOHS-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106580 1257320558 /nfs/dbraw/zinc/32/05/58/1257320558.db2.gz KWSIVCJPOKUOHS-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083110847 1257334418 /nfs/dbraw/zinc/33/44/18/1257334418.db2.gz XMKIIIAGQYSJHO-IXDOHACOSA-N 2 1 362.478 0.064 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083110847 1257334426 /nfs/dbraw/zinc/33/44/26/1257334426.db2.gz XMKIIIAGQYSJHO-IXDOHACOSA-N 2 1 362.478 0.064 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083110847 1257334434 /nfs/dbraw/zinc/33/44/34/1257334434.db2.gz XMKIIIAGQYSJHO-IXDOHACOSA-N 2 1 362.478 0.064 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083110847 1257334443 /nfs/dbraw/zinc/33/44/43/1257334443.db2.gz XMKIIIAGQYSJHO-IXDOHACOSA-N 2 1 362.478 0.064 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@@H]21)[NH+](C)C ZINC001083119893 1257351677 /nfs/dbraw/zinc/35/16/77/1257351677.db2.gz PCNNJMSWUCMSFC-OWCLPIDISA-N 2 1 365.478 0.562 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]21)[NH+](C)C ZINC001083119893 1257351686 /nfs/dbraw/zinc/35/16/86/1257351686.db2.gz PCNNJMSWUCMSFC-OWCLPIDISA-N 2 1 365.478 0.562 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001521342603 1266113930 /nfs/dbraw/zinc/11/39/30/1266113930.db2.gz LZIQEQRDFLEKEV-KZNAEPCWSA-N 2 1 369.554 0.763 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001083733426 1257470788 /nfs/dbraw/zinc/47/07/88/1257470788.db2.gz NNNXXQBOXVJSNM-IKGGRYGDSA-N 2 1 365.474 0.931 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083779689 1257521727 /nfs/dbraw/zinc/52/17/27/1257521727.db2.gz OQUCYGOHDCXINW-LZQZEXGQSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083779689 1257521729 /nfs/dbraw/zinc/52/17/29/1257521729.db2.gz OQUCYGOHDCXINW-LZQZEXGQSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083779689 1257521733 /nfs/dbraw/zinc/52/17/33/1257521733.db2.gz OQUCYGOHDCXINW-LZQZEXGQSA-N 2 1 361.486 0.883 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CCC1 ZINC001083826388 1257576660 /nfs/dbraw/zinc/57/66/60/1257576660.db2.gz PWFFGTBGKDESBL-IXDOHACOSA-N 2 1 364.490 0.983 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CCC1 ZINC001083826388 1257576664 /nfs/dbraw/zinc/57/66/64/1257576664.db2.gz PWFFGTBGKDESBL-IXDOHACOSA-N 2 1 364.490 0.983 20 0 FCADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482813 1266126099 /nfs/dbraw/zinc/12/60/99/1266126099.db2.gz VPLYDWCTLJCFLX-GOEBONIOSA-N 2 1 350.463 0.645 20 0 FCADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482814 1266126184 /nfs/dbraw/zinc/12/61/84/1266126184.db2.gz VPLYDWCTLJCFLX-HOCLYGCPSA-N 2 1 350.463 0.645 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001083939141 1257723827 /nfs/dbraw/zinc/72/38/27/1257723827.db2.gz YLQVBLRRAFVHTA-SQNIBIBYSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001083939141 1257723831 /nfs/dbraw/zinc/72/38/31/1257723831.db2.gz YLQVBLRRAFVHTA-SQNIBIBYSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083939141 1257723834 /nfs/dbraw/zinc/72/38/34/1257723834.db2.gz YLQVBLRRAFVHTA-SQNIBIBYSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083939141 1257723838 /nfs/dbraw/zinc/72/38/38/1257723838.db2.gz YLQVBLRRAFVHTA-SQNIBIBYSA-N 2 1 363.506 0.699 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953143 1257741452 /nfs/dbraw/zinc/74/14/52/1257741452.db2.gz INULSOUOJGFJMB-IPELMVKDSA-N 2 1 359.470 0.720 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953143 1257741457 /nfs/dbraw/zinc/74/14/57/1257741457.db2.gz INULSOUOJGFJMB-IPELMVKDSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953143 1257741464 /nfs/dbraw/zinc/74/14/64/1257741464.db2.gz INULSOUOJGFJMB-IPELMVKDSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953143 1257741470 /nfs/dbraw/zinc/74/14/70/1257741470.db2.gz INULSOUOJGFJMB-IPELMVKDSA-N 2 1 359.470 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957700 1257747591 /nfs/dbraw/zinc/74/75/91/1257747591.db2.gz LIZHJEIEXACNAD-CVEARBPZSA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957700 1257747601 /nfs/dbraw/zinc/74/76/01/1257747601.db2.gz LIZHJEIEXACNAD-CVEARBPZSA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959036 1257749098 /nfs/dbraw/zinc/74/90/98/1257749098.db2.gz CADXNMVNPSHKKK-MSOLQXFVSA-N 2 1 354.454 0.925 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)ccc1C ZINC001083959514 1257749530 /nfs/dbraw/zinc/74/95/30/1257749530.db2.gz XHTTZPVSZNZUNJ-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)ccc1C ZINC001083959514 1257749535 /nfs/dbraw/zinc/74/95/35/1257749535.db2.gz XHTTZPVSZNZUNJ-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056615 1257868655 /nfs/dbraw/zinc/86/86/55/1257868655.db2.gz GWABKMUCYLTXBJ-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056615 1257868668 /nfs/dbraw/zinc/86/86/68/1257868668.db2.gz GWABKMUCYLTXBJ-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056615 1257868674 /nfs/dbraw/zinc/86/86/74/1257868674.db2.gz GWABKMUCYLTXBJ-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056615 1257868686 /nfs/dbraw/zinc/86/86/86/1257868686.db2.gz GWABKMUCYLTXBJ-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056787 1257868720 /nfs/dbraw/zinc/86/87/20/1257868720.db2.gz NRKLPDHDUMFTMG-QRQLOZEOSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056787 1257868729 /nfs/dbraw/zinc/86/87/29/1257868729.db2.gz NRKLPDHDUMFTMG-QRQLOZEOSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056787 1257868740 /nfs/dbraw/zinc/86/87/40/1257868740.db2.gz NRKLPDHDUMFTMG-QRQLOZEOSA-N 2 1 361.486 0.795 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409889 1258089140 /nfs/dbraw/zinc/08/91/40/1258089140.db2.gz NRBNUNRIIZEMMK-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409889 1258089146 /nfs/dbraw/zinc/08/91/46/1258089146.db2.gz NRBNUNRIIZEMMK-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409889 1258089150 /nfs/dbraw/zinc/08/91/50/1258089150.db2.gz NRBNUNRIIZEMMK-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630549 1258210448 /nfs/dbraw/zinc/21/04/48/1258210448.db2.gz KSSNAWHPICGGBY-FGTMMUONSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630549 1258210455 /nfs/dbraw/zinc/21/04/55/1258210455.db2.gz KSSNAWHPICGGBY-FGTMMUONSA-N 2 1 362.518 0.870 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001084739145 1258280250 /nfs/dbraw/zinc/28/02/50/1258280250.db2.gz VGVKPDLCDNOUPI-IAGOWNOFSA-N 2 1 363.506 0.276 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001084739145 1258280252 /nfs/dbraw/zinc/28/02/52/1258280252.db2.gz VGVKPDLCDNOUPI-IAGOWNOFSA-N 2 1 363.506 0.276 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778239 1258319614 /nfs/dbraw/zinc/31/96/14/1258319614.db2.gz MVQLCFPSDWRWBF-BRWVUGGUSA-N 2 1 360.502 0.531 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)CC1 ZINC001084942434 1258456192 /nfs/dbraw/zinc/45/61/92/1258456192.db2.gz VVPUTCMZQYLBLY-YSHGAJCASA-N 2 1 365.518 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnnn4C)[C@H]3C2)CC[N@@H+]1C ZINC001084944754 1258457068 /nfs/dbraw/zinc/45/70/68/1258457068.db2.gz LICGUJITDOJPCC-SPUZQDLCSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnnn4C)[C@H]3C2)CC[N@H+]1C ZINC001084944754 1258457071 /nfs/dbraw/zinc/45/70/71/1258457071.db2.gz LICGUJITDOJPCC-SPUZQDLCSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cnnn4C)[C@H]3C2)CC[NH+]1C ZINC001084944754 1258457079 /nfs/dbraw/zinc/45/70/79/1258457079.db2.gz LICGUJITDOJPCC-SPUZQDLCSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnnn4C)[C@H]3C2)CC[NH+]1C ZINC001084944754 1258457082 /nfs/dbraw/zinc/45/70/82/1258457082.db2.gz LICGUJITDOJPCC-SPUZQDLCSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957608 1258469513 /nfs/dbraw/zinc/46/95/13/1258469513.db2.gz KEUHLDHIHUPROF-SQNIBIBYSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957608 1258469515 /nfs/dbraw/zinc/46/95/15/1258469515.db2.gz KEUHLDHIHUPROF-SQNIBIBYSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957608 1258469519 /nfs/dbraw/zinc/46/95/19/1258469519.db2.gz KEUHLDHIHUPROF-SQNIBIBYSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1)[NH+](C)C ZINC001084970478 1258483401 /nfs/dbraw/zinc/48/34/01/1258483401.db2.gz HMSSZKBURUFOSB-OAGGEKHMSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCC4)[C@H]3C2)CC[N@H+]1C ZINC001085017544 1258522246 /nfs/dbraw/zinc/52/22/46/1258522246.db2.gz LAOOBSQTRQAPMT-MHORFTMASA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)CC[NH+]1C ZINC001085017544 1258522248 /nfs/dbraw/zinc/52/22/48/1258522248.db2.gz LAOOBSQTRQAPMT-MHORFTMASA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)CC[NH+]1C ZINC001085017544 1258522251 /nfs/dbraw/zinc/52/22/51/1258522251.db2.gz LAOOBSQTRQAPMT-MHORFTMASA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093861 1258587585 /nfs/dbraw/zinc/58/75/85/1258587585.db2.gz HVTOFOLHDLJSEZ-ZACQAIPSSA-N 2 1 369.473 0.893 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093861 1258587593 /nfs/dbraw/zinc/58/75/93/1258587593.db2.gz HVTOFOLHDLJSEZ-ZACQAIPSSA-N 2 1 369.473 0.893 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092927 1258588395 /nfs/dbraw/zinc/58/83/95/1258588395.db2.gz WEQHNQBQCVQNAB-SQNIBIBYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092927 1258588401 /nfs/dbraw/zinc/58/84/01/1258588401.db2.gz WEQHNQBQCVQNAB-SQNIBIBYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092927 1258588408 /nfs/dbraw/zinc/58/84/08/1258588408.db2.gz WEQHNQBQCVQNAB-SQNIBIBYSA-N 2 1 360.506 0.769 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001086734517 1258632187 /nfs/dbraw/zinc/63/21/87/1258632187.db2.gz KBOHJAXSPKLDRZ-ZNMIVQPWSA-N 2 1 364.494 0.994 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001086734517 1258632197 /nfs/dbraw/zinc/63/21/97/1258632197.db2.gz KBOHJAXSPKLDRZ-ZNMIVQPWSA-N 2 1 364.494 0.994 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170040 1258689995 /nfs/dbraw/zinc/68/99/95/1258689995.db2.gz BUDIEEBNAKCSRC-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170040 1258690002 /nfs/dbraw/zinc/69/00/02/1258690002.db2.gz BUDIEEBNAKCSRC-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170040 1258690015 /nfs/dbraw/zinc/69/00/15/1258690015.db2.gz BUDIEEBNAKCSRC-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170040 1258690022 /nfs/dbraw/zinc/69/00/22/1258690022.db2.gz BUDIEEBNAKCSRC-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cn1 ZINC001088172146 1258694154 /nfs/dbraw/zinc/69/41/54/1258694154.db2.gz YDTJUICBDQAQQB-MSOLQXFVSA-N 2 1 357.502 0.839 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088201692 1258723446 /nfs/dbraw/zinc/72/34/46/1258723446.db2.gz PPPIZQGREAAHAP-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207918 1258730204 /nfs/dbraw/zinc/73/02/04/1258730204.db2.gz CFHIWBJXXOELNQ-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207918 1258730208 /nfs/dbraw/zinc/73/02/08/1258730208.db2.gz CFHIWBJXXOELNQ-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207918 1258730213 /nfs/dbraw/zinc/73/02/13/1258730213.db2.gz CFHIWBJXXOELNQ-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207918 1258730215 /nfs/dbraw/zinc/73/02/15/1258730215.db2.gz CFHIWBJXXOELNQ-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941767 1258765389 /nfs/dbraw/zinc/76/53/89/1258765389.db2.gz LFQPONXYRDYTRE-OWCLPIDISA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941767 1258765396 /nfs/dbraw/zinc/76/53/96/1258765396.db2.gz LFQPONXYRDYTRE-OWCLPIDISA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941767 1258765401 /nfs/dbraw/zinc/76/54/01/1258765401.db2.gz LFQPONXYRDYTRE-OWCLPIDISA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941767 1258765407 /nfs/dbraw/zinc/76/54/07/1258765407.db2.gz LFQPONXYRDYTRE-OWCLPIDISA-N 2 1 366.506 0.189 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658514 1258810430 /nfs/dbraw/zinc/81/04/30/1258810430.db2.gz XYVCWSIYKLOSGU-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658514 1258810438 /nfs/dbraw/zinc/81/04/38/1258810438.db2.gz XYVCWSIYKLOSGU-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658514 1258810443 /nfs/dbraw/zinc/81/04/43/1258810443.db2.gz XYVCWSIYKLOSGU-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828234 1258858708 /nfs/dbraw/zinc/85/87/08/1258858708.db2.gz KHPCPKDLZJPEPN-UKRRQHHQSA-N 2 1 353.430 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092830003 1258860004 /nfs/dbraw/zinc/86/00/04/1258860004.db2.gz RBFNSVLQYUNNBH-GDBMZVCRSA-N 2 1 353.430 0.924 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100442628 1258910987 /nfs/dbraw/zinc/91/09/87/1258910987.db2.gz OWCPJCJGFOPFHA-RKHAHWSXSA-N 2 1 368.522 0.495 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100442628 1258910994 /nfs/dbraw/zinc/91/09/94/1258910994.db2.gz OWCPJCJGFOPFHA-RKHAHWSXSA-N 2 1 368.522 0.495 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)CC2 ZINC001106590933 1258926517 /nfs/dbraw/zinc/92/65/17/1258926517.db2.gz FSURDZVWTKEJJC-HYVNUMGLSA-N 2 1 364.490 0.447 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106662991 1258936355 /nfs/dbraw/zinc/93/63/55/1258936355.db2.gz MHOXXMTUVDZOAD-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106668984 1258938486 /nfs/dbraw/zinc/93/84/86/1258938486.db2.gz SMUFCIDRVWTRNT-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106839459 1258974005 /nfs/dbraw/zinc/97/40/05/1258974005.db2.gz JGVOQZZRQJKHTR-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106840501 1258974707 /nfs/dbraw/zinc/97/47/07/1258974707.db2.gz QDPUYXCNXOKUOQ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874565 1258984771 /nfs/dbraw/zinc/98/47/71/1258984771.db2.gz LAINUAFIENQEDQ-IXDOHACOSA-N 2 1 367.538 0.720 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106905949 1258993322 /nfs/dbraw/zinc/99/33/22/1258993322.db2.gz PCUVKWZSBMQLHJ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910488 1258994022 /nfs/dbraw/zinc/99/40/22/1258994022.db2.gz ACOSRIDBCOJXPO-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106910926 1258994193 /nfs/dbraw/zinc/99/41/93/1258994193.db2.gz VTVNHRUPRYZSFZ-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106910934 1258994283 /nfs/dbraw/zinc/99/42/83/1258994283.db2.gz WERSCTRGNKNXKI-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107449458 1259092987 /nfs/dbraw/zinc/09/29/87/1259092987.db2.gz JWYFQUMEHYCOKK-HBUWYVDXSA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107449458 1259092994 /nfs/dbraw/zinc/09/29/94/1259092994.db2.gz JWYFQUMEHYCOKK-HBUWYVDXSA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107449458 1259092998 /nfs/dbraw/zinc/09/29/98/1259092998.db2.gz JWYFQUMEHYCOKK-HBUWYVDXSA-N 2 1 365.478 0.026 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485218 1259102582 /nfs/dbraw/zinc/10/25/82/1259102582.db2.gz PJGIFPSQXPDQGV-IMFGXOCKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107546981 1259112339 /nfs/dbraw/zinc/11/23/39/1259112339.db2.gz WACRMKSQTFSJEV-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107546981 1259112342 /nfs/dbraw/zinc/11/23/42/1259112342.db2.gz WACRMKSQTFSJEV-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107546981 1259112343 /nfs/dbraw/zinc/11/23/43/1259112343.db2.gz WACRMKSQTFSJEV-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660330 1259184653 /nfs/dbraw/zinc/18/46/53/1259184653.db2.gz VXYOZSBNTKWVLU-UMVBOHGHSA-N 2 1 364.494 0.410 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccnn2C(C)C)CC[N@H+]1C ZINC001127706152 1259184743 /nfs/dbraw/zinc/18/47/43/1259184743.db2.gz IWFSPIHCERMARJ-LSDHHAIUSA-N 2 1 364.494 0.839 20 0 FCADMP COCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127991628 1259189114 /nfs/dbraw/zinc/18/91/14/1259189114.db2.gz ZHBSTJSISGUZNT-RBSFLKMASA-N 2 1 364.494 0.175 20 0 FCADMP COCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127991628 1259189118 /nfs/dbraw/zinc/18/91/18/1259189118.db2.gz ZHBSTJSISGUZNT-RBSFLKMASA-N 2 1 364.494 0.175 20 0 FCADMP C[C@@H](O)CCCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC001128350867 1259195832 /nfs/dbraw/zinc/19/58/32/1259195832.db2.gz KTGDLSNUSYKGGQ-BFYDXBDKSA-N 2 1 363.506 0.816 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989206 1259283229 /nfs/dbraw/zinc/28/32/29/1259283229.db2.gz MOJLNQMPJLRYGA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989206 1259283234 /nfs/dbraw/zinc/28/32/34/1259283234.db2.gz MOJLNQMPJLRYGA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989206 1259283240 /nfs/dbraw/zinc/28/32/40/1259283240.db2.gz MOJLNQMPJLRYGA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989206 1259283246 /nfs/dbraw/zinc/28/32/46/1259283246.db2.gz MOJLNQMPJLRYGA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129144162 1259326802 /nfs/dbraw/zinc/32/68/02/1259326802.db2.gz JDEREABWWWHRKH-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129144162 1259326808 /nfs/dbraw/zinc/32/68/08/1259326808.db2.gz JDEREABWWWHRKH-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257340 1259356024 /nfs/dbraw/zinc/35/60/24/1259356024.db2.gz CZTZXRYHWQRVGC-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257340 1259356029 /nfs/dbraw/zinc/35/60/29/1259356029.db2.gz CZTZXRYHWQRVGC-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263041 1259359300 /nfs/dbraw/zinc/35/93/00/1259359300.db2.gz ZCSYCAHRSQAQMW-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263041 1259359305 /nfs/dbraw/zinc/35/93/05/1259359305.db2.gz ZCSYCAHRSQAQMW-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263041 1259359308 /nfs/dbraw/zinc/35/93/08/1259359308.db2.gz ZCSYCAHRSQAQMW-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263041 1259359313 /nfs/dbraw/zinc/35/93/13/1259359313.db2.gz ZCSYCAHRSQAQMW-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276190 1259360997 /nfs/dbraw/zinc/36/09/97/1259360997.db2.gz AGZYXVBXPXVAFP-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276190 1259361003 /nfs/dbraw/zinc/36/10/03/1259361003.db2.gz AGZYXVBXPXVAFP-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276190 1259361012 /nfs/dbraw/zinc/36/10/12/1259361012.db2.gz AGZYXVBXPXVAFP-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267085 1259361908 /nfs/dbraw/zinc/36/19/08/1259361908.db2.gz WSCYYNZWRCFWDC-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCO1 ZINC001200729413 1259419837 /nfs/dbraw/zinc/41/98/37/1259419837.db2.gz NNQTZMGLCDHGAD-RRFJBIMHSA-N 2 1 363.462 0.247 20 0 FCADMP COCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787669 1259420953 /nfs/dbraw/zinc/42/09/53/1259420953.db2.gz VXZPZBQSZAOMDJ-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787669 1259420957 /nfs/dbraw/zinc/42/09/57/1259420957.db2.gz VXZPZBQSZAOMDJ-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)c1nnnn1C ZINC001211669055 1259426605 /nfs/dbraw/zinc/42/66/05/1259426605.db2.gz GXEZLBIIWLQWME-BHYGNILZSA-N 2 1 371.489 0.807 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401787 1259490680 /nfs/dbraw/zinc/49/06/80/1259490680.db2.gz YZBHECHCHKAJLE-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401787 1259490685 /nfs/dbraw/zinc/49/06/85/1259490685.db2.gz YZBHECHCHKAJLE-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401787 1259490696 /nfs/dbraw/zinc/49/06/96/1259490696.db2.gz YZBHECHCHKAJLE-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212406227 1259492591 /nfs/dbraw/zinc/49/25/91/1259492591.db2.gz LXJWOHIPFOHOMO-NUJGCVRESA-N 2 1 366.506 0.155 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410001 1259493169 /nfs/dbraw/zinc/49/31/69/1259493169.db2.gz LUYZYAUXIOXAER-KURKYZTESA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410001 1259493176 /nfs/dbraw/zinc/49/31/76/1259493176.db2.gz LUYZYAUXIOXAER-KURKYZTESA-N 2 1 363.506 0.601 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430861 1259502333 /nfs/dbraw/zinc/50/23/33/1259502333.db2.gz ZKPZOUCKKAXZCA-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430861 1259502338 /nfs/dbraw/zinc/50/23/38/1259502338.db2.gz ZKPZOUCKKAXZCA-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430861 1259502343 /nfs/dbraw/zinc/50/23/43/1259502343.db2.gz ZKPZOUCKKAXZCA-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430861 1259502352 /nfs/dbraw/zinc/50/23/52/1259502352.db2.gz ZKPZOUCKKAXZCA-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430357 1259503135 /nfs/dbraw/zinc/50/31/35/1259503135.db2.gz KOZLKILRZLFOFL-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430357 1259503139 /nfs/dbraw/zinc/50/31/39/1259503139.db2.gz KOZLKILRZLFOFL-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430357 1259503143 /nfs/dbraw/zinc/50/31/43/1259503143.db2.gz KOZLKILRZLFOFL-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497669 1259527718 /nfs/dbraw/zinc/52/77/18/1259527718.db2.gz RZTKEWAMRVNWMU-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497669 1259527725 /nfs/dbraw/zinc/52/77/25/1259527725.db2.gz RZTKEWAMRVNWMU-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497669 1259527731 /nfs/dbraw/zinc/52/77/31/1259527731.db2.gz RZTKEWAMRVNWMU-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497669 1259527736 /nfs/dbraw/zinc/52/77/36/1259527736.db2.gz RZTKEWAMRVNWMU-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cnc4n3CC[NH2+]CC4)C[C@@H]1CC[NH2+]CC2 ZINC001235350772 1259570399 /nfs/dbraw/zinc/57/03/99/1259570399.db2.gz YSQMTTLJURBMIP-KXBFYZLASA-N 3 1 361.490 0.394 20 0 FCADMP O=C1NCC[C@@]12C[N@H+](Cc1cccnc1)CC21CC[NH+](CCCO)CC1 ZINC001235488269 1259573537 /nfs/dbraw/zinc/57/35/37/1259573537.db2.gz BEXOCZLMSJCSQH-HXUWFJFHSA-N 2 1 358.486 0.868 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3c(OC)ncnc3OC)C[C@H]1C2 ZINC001236026121 1259586597 /nfs/dbraw/zinc/58/65/97/1259586597.db2.gz BFSUOMFIEFRJGR-YVVSIOMPSA-N 2 1 362.430 0.324 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccccc3OCCO)C[C@H]1C2 ZINC001236035195 1259587801 /nfs/dbraw/zinc/58/78/01/1259587801.db2.gz ADMJINCMFNRJMJ-YZLZLFLDSA-N 2 1 360.454 0.888 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236894691 1259593892 /nfs/dbraw/zinc/59/38/92/1259593892.db2.gz SQLDDORSOFJHSZ-SFHVURJKSA-N 2 1 374.485 0.692 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238103782 1259614941 /nfs/dbraw/zinc/61/49/41/1259614941.db2.gz GXGHTJBTABJBOE-FQEVSTJZSA-N 2 1 371.485 0.995 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238103782 1259614952 /nfs/dbraw/zinc/61/49/52/1259614952.db2.gz GXGHTJBTABJBOE-FQEVSTJZSA-N 2 1 371.485 0.995 20 0 FCADMP OCCc1ccc(OC[C@@H](O)CNC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001245986705 1259643970 /nfs/dbraw/zinc/64/39/70/1259643970.db2.gz PYHFQHSXJBIDPK-ROUUACIJSA-N 2 1 363.502 0.425 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997791 1259644616 /nfs/dbraw/zinc/64/46/16/1259644616.db2.gz VVAQVCBSAZVJMG-OKZBNKHCSA-N 2 1 369.456 0.944 20 0 FCADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)C[NH2+]1 ZINC001246156087 1259649279 /nfs/dbraw/zinc/64/92/79/1259649279.db2.gz HISHTCSXIGWNEY-NZSAHSFTSA-N 2 1 374.529 0.768 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587085 1259656293 /nfs/dbraw/zinc/65/62/93/1259656293.db2.gz VFNDEXJQHZVZLZ-QAETUUGQSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587085 1259656303 /nfs/dbraw/zinc/65/63/03/1259656303.db2.gz VFNDEXJQHZVZLZ-QAETUUGQSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587070 1259656492 /nfs/dbraw/zinc/65/64/92/1259656492.db2.gz VFNDEXJQHZVZLZ-HZMVEIRTSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587070 1259656503 /nfs/dbraw/zinc/65/65/03/1259656503.db2.gz VFNDEXJQHZVZLZ-HZMVEIRTSA-N 2 1 361.442 0.084 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246643435 1259657199 /nfs/dbraw/zinc/65/71/99/1259657199.db2.gz GYVXRWAMVHCNGZ-KGLIPLIRSA-N 2 1 362.478 0.245 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246665083 1259658804 /nfs/dbraw/zinc/65/88/04/1259658804.db2.gz AOGDVXPKGNGAQY-MSWPAXRKSA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680345 1259659071 /nfs/dbraw/zinc/65/90/71/1259659071.db2.gz VVDCILSAQCHQHO-POVLGGSNSA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)C[NH2+]1 ZINC001246680345 1259659087 /nfs/dbraw/zinc/65/90/87/1259659087.db2.gz VVDCILSAQCHQHO-POVLGGSNSA-N 2 1 365.474 0.001 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N(c2[nH+]ccn2C)[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246697509 1259661727 /nfs/dbraw/zinc/66/17/27/1259661727.db2.gz IBFALCNZCWYINW-KKUMJFAQSA-N 2 1 363.462 0.041 20 0 FCADMP O=C([C@@H]1CO[C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1)N1CCCC1 ZINC001246694224 1259661812 /nfs/dbraw/zinc/66/18/12/1259661812.db2.gz MUNAWEPGWYJIRC-WNRNVDISSA-N 2 1 362.518 0.430 20 0 FCADMP Cn1ncc2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2COc1cccnc1 ZINC001246696265 1259662322 /nfs/dbraw/zinc/66/23/22/1259662322.db2.gz QYKFFRFVHZHURK-HZPDHXFCSA-N 2 1 368.485 0.887 20 0 FCADMP O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711068 1259665200 /nfs/dbraw/zinc/66/52/00/1259665200.db2.gz YZCCVLXFNAJOIW-XAUMDUMWSA-N 2 1 374.485 0.471 20 0 FCADMP O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246718759 1259669178 /nfs/dbraw/zinc/66/91/78/1259669178.db2.gz ZLWAQPLKZHDANE-ATLSCFEFSA-N 2 1 374.485 0.184 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)CN1 ZINC001246723053 1259669541 /nfs/dbraw/zinc/66/95/41/1259669541.db2.gz QDBFFYHRQNXXFI-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)CN1 ZINC001246723053 1259669551 /nfs/dbraw/zinc/66/95/51/1259669551.db2.gz QDBFFYHRQNXXFI-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)CN1 ZINC001246723053 1259669560 /nfs/dbraw/zinc/66/95/60/1259669560.db2.gz QDBFFYHRQNXXFI-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)CN1 ZINC001246723053 1259669571 /nfs/dbraw/zinc/66/95/71/1259669571.db2.gz QDBFFYHRQNXXFI-DOADOZAASA-N 2 1 365.518 0.960 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724023 1259670673 /nfs/dbraw/zinc/67/06/73/1259670673.db2.gz WIZISKPXLUYQJX-KRWDZBQOSA-N 3 1 374.533 0.383 20 0 FCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724023 1259670675 /nfs/dbraw/zinc/67/06/75/1259670675.db2.gz WIZISKPXLUYQJX-KRWDZBQOSA-N 3 1 374.533 0.383 20 0 FCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724023 1259670683 /nfs/dbraw/zinc/67/06/83/1259670683.db2.gz WIZISKPXLUYQJX-KRWDZBQOSA-N 3 1 374.533 0.383 20 0 FCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724023 1259670688 /nfs/dbraw/zinc/67/06/88/1259670688.db2.gz WIZISKPXLUYQJX-KRWDZBQOSA-N 2 1 374.533 0.383 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724023 1259670697 /nfs/dbraw/zinc/67/06/97/1259670697.db2.gz WIZISKPXLUYQJX-KRWDZBQOSA-N 2 1 374.533 0.383 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)c1 ZINC001246735561 1259672145 /nfs/dbraw/zinc/67/21/45/1259672145.db2.gz UPIMBCFDTJZWJY-GBESFXJTSA-N 2 1 357.502 0.451 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21)N1CCOCC1 ZINC001246738940 1259675182 /nfs/dbraw/zinc/67/51/82/1259675182.db2.gz HURLNVIMHAXAOE-AQTIYHOBSA-N 2 1 363.502 0.713 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743853 1259676602 /nfs/dbraw/zinc/67/66/02/1259676602.db2.gz BNGWSUQNVHYMKM-HKUYNNGSSA-N 2 1 355.486 0.600 20 0 FCADMP c1ccc(COC[C@]23COC[C@H]2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246757793 1259681274 /nfs/dbraw/zinc/68/12/74/1259681274.db2.gz RTASKKHNPCXJDK-NEWSRXKRSA-N 2 1 358.486 0.641 20 0 FCADMP O=C(N[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246754958 1259682428 /nfs/dbraw/zinc/68/24/28/1259682428.db2.gz HELSZAKQCCNQKM-XSLAGTTESA-N 2 1 371.485 0.137 20 0 FCADMP O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756622 1259682741 /nfs/dbraw/zinc/68/27/41/1259682741.db2.gz VUQAABTVRSXUED-JENIJYKNSA-N 2 1 355.486 0.504 20 0 FCADMP O=C1[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246755200 1259682929 /nfs/dbraw/zinc/68/29/29/1259682929.db2.gz HMXHVMGDMDEYNC-JQHSSLGASA-N 2 1 358.461 0.810 20 0 FCADMP c1ncn2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1ccccn1)C2 ZINC001246763388 1259683312 /nfs/dbraw/zinc/68/33/12/1259683312.db2.gz BWEGRHNYBQFKIJ-IRXDYDNUSA-N 2 1 368.485 0.883 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765220 1259683773 /nfs/dbraw/zinc/68/37/73/1259683773.db2.gz INISOKNCESDHCA-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762622 1259684294 /nfs/dbraw/zinc/68/42/94/1259684294.db2.gz WQEMRSRBNAESPC-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762622 1259684307 /nfs/dbraw/zinc/68/43/07/1259684307.db2.gz WQEMRSRBNAESPC-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001246768605 1259686714 /nfs/dbraw/zinc/68/67/14/1259686714.db2.gz GVTGUUOVEVFYRT-DXMBWKHVSA-N 2 1 359.474 0.665 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771679 1259687001 /nfs/dbraw/zinc/68/70/01/1259687001.db2.gz YHYBSERNBFERER-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771679 1259687010 /nfs/dbraw/zinc/68/70/10/1259687010.db2.gz YHYBSERNBFERER-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856590 1259692108 /nfs/dbraw/zinc/69/21/08/1259692108.db2.gz FGAGNSZCPLKIJY-ODWBRZHOSA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856593 1259692555 /nfs/dbraw/zinc/69/25/55/1259692555.db2.gz FGAGNSZCPLKIJY-POVLGGSNSA-N 2 1 365.474 0.001 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859488 1259693055 /nfs/dbraw/zinc/69/30/55/1259693055.db2.gz PEAZRFJVZDIBPP-TVRAHDOYSA-N 2 1 366.458 0.428 20 0 FCADMP COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920237 1259694427 /nfs/dbraw/zinc/69/44/27/1259694427.db2.gz DHOPMUSNGHSISE-RTBURBONSA-N 2 1 372.513 0.830 20 0 FCADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246924340 1259694581 /nfs/dbraw/zinc/69/45/81/1259694581.db2.gz IAWGCWZBMLOJFU-MRXNPFEDSA-N 3 1 364.490 0.852 20 0 FCADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246924340 1259694592 /nfs/dbraw/zinc/69/45/92/1259694592.db2.gz IAWGCWZBMLOJFU-MRXNPFEDSA-N 3 1 364.490 0.852 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCN(c2ccc(F)cc2)CC1 ZINC001246918890 1259695286 /nfs/dbraw/zinc/69/52/86/1259695286.db2.gz HBWAMPJUWITIAT-UHFFFAOYSA-N 3 1 365.497 0.910 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C1CCN(c2ccc(F)cc2)CC1 ZINC001246918890 1259695297 /nfs/dbraw/zinc/69/52/97/1259695297.db2.gz HBWAMPJUWITIAT-UHFFFAOYSA-N 3 1 365.497 0.910 20 0 FCADMP C[NH+]1CCN(c2cccc(-c3noc([C@@H]4C[NH2+]CC45CNC5)n3)c2)CC1 ZINC001247832147 1259705449 /nfs/dbraw/zinc/70/54/49/1259705449.db2.gz VYTJFBMZGHGOCC-INIZCTEOSA-N 2 1 354.458 0.765 20 0 FCADMP Cc1ccc(NCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c1 ZINC001335554094 1259713300 /nfs/dbraw/zinc/71/33/00/1259713300.db2.gz LXUDOANJNAWACM-CYBMUJFWSA-N 2 1 374.411 0.937 20 0 FCADMP Cc1nnc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC001335554822 1259713445 /nfs/dbraw/zinc/71/34/45/1259713445.db2.gz AFCNNBXWKXTQFS-OKILXGFUSA-N 2 1 350.492 0.957 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335566839 1259720564 /nfs/dbraw/zinc/72/05/64/1259720564.db2.gz ARWBMXPLAGIVCO-RTYCURFASA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001335566839 1259720569 /nfs/dbraw/zinc/72/05/69/1259720569.db2.gz ARWBMXPLAGIVCO-RTYCURFASA-N 2 1 361.534 0.985 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(C[C@@H]([NH3+])CC(N)=O)n3)c2)CC1 ZINC001249345002 1259722207 /nfs/dbraw/zinc/72/22/07/1259722207.db2.gz DDQGKXXIGPZRFQ-HNNXBMFYSA-N 2 1 358.446 0.229 20 0 FCADMP COCC1(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC[NH2+]CC1 ZINC001335594957 1259733319 /nfs/dbraw/zinc/73/33/19/1259733319.db2.gz DCZKALBGESXEGH-LSDHHAIUSA-N 2 1 356.536 0.882 20 0 FCADMP CCOC[C@@H](O)C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001252025617 1259773933 /nfs/dbraw/zinc/77/39/33/1259773933.db2.gz VYZGIOIYBYXWRC-INIZCTEOSA-N 2 1 367.494 0.494 20 0 FCADMP CCOC[C@@H](O)C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001252025617 1259773938 /nfs/dbraw/zinc/77/39/38/1259773938.db2.gz VYZGIOIYBYXWRC-INIZCTEOSA-N 2 1 367.494 0.494 20 0 FCADMP COC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001252817202 1259807028 /nfs/dbraw/zinc/80/70/28/1259807028.db2.gz CBSKUNZABDYJKX-SFHVURJKSA-N 2 1 369.506 0.029 20 0 FCADMP O=C1NC(=O)C2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931856 1259813228 /nfs/dbraw/zinc/81/32/28/1259813228.db2.gz OEKIYSUXHNSOAC-SFHVURJKSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)C2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931856 1259813234 /nfs/dbraw/zinc/81/32/34/1259813234.db2.gz OEKIYSUXHNSOAC-SFHVURJKSA-N 2 1 358.442 0.297 20 0 FCADMP C[NH+](C)CCCN1CC[NH+](C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253146156 1259821701 /nfs/dbraw/zinc/82/17/01/1259821701.db2.gz VASWACXHYMVLNW-LJQANCHMSA-N 2 1 365.518 0.530 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001253195514 1259829499 /nfs/dbraw/zinc/82/94/99/1259829499.db2.gz PVKOIDSDMLABNW-KRWDZBQOSA-N 2 1 362.522 0.902 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC(=O)C[C@@H]4C3)CC[C@@H]2C1 ZINC001254948112 1259901459 /nfs/dbraw/zinc/90/14/59/1259901459.db2.gz JTMSCFFFTQNLIC-PASDCYSWSA-N 2 1 363.502 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3C[C@H]4CC(=O)C[C@@H]4C3)CC[C@@H]2C1 ZINC001254948112 1259901465 /nfs/dbraw/zinc/90/14/65/1259901465.db2.gz JTMSCFFFTQNLIC-PASDCYSWSA-N 2 1 363.502 0.855 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999314 1259937529 /nfs/dbraw/zinc/93/75/29/1259937529.db2.gz DSDZZGWEGDTRAE-MSOLQXFVSA-N 2 1 357.495 0.795 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999314 1259937533 /nfs/dbraw/zinc/93/75/33/1259937533.db2.gz DSDZZGWEGDTRAE-MSOLQXFVSA-N 2 1 357.495 0.795 20 0 FCADMP C[NH+]1CCC([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC1 ZINC001256208089 1259938193 /nfs/dbraw/zinc/93/81/93/1259938193.db2.gz WJCAQWXQOCBORC-QILLFSRXSA-N 2 1 359.474 0.638 20 0 FCADMP COC(=O)[C@H]1C[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CN1C(=O)OC(C)(C)C ZINC001256256026 1259940387 /nfs/dbraw/zinc/94/03/87/1259940387.db2.gz HGUZNIWNBLSTJD-MRVWCRGKSA-N 2 1 368.434 0.469 20 0 FCADMP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001256342618 1259948394 /nfs/dbraw/zinc/94/83/94/1259948394.db2.gz IAMLVYUAKCEXJB-HNNXBMFYSA-N 2 1 366.506 0.286 20 0 FCADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256494751 1259953646 /nfs/dbraw/zinc/95/36/46/1259953646.db2.gz PGZWQSLRKNYQMY-AVGNSLFASA-N 2 1 373.450 0.265 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862312 1259976020 /nfs/dbraw/zinc/97/60/20/1259976020.db2.gz CDKBGQGIZLRELZ-MOPGFXCFSA-N 2 1 372.513 0.972 20 0 FCADMP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001336241105 1260055704 /nfs/dbraw/zinc/05/57/04/1260055704.db2.gz QBMNPGLWITWHOV-QZTJIDSGSA-N 2 1 367.538 0.614 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccco1 ZINC001261378308 1260128705 /nfs/dbraw/zinc/12/87/05/1260128705.db2.gz VLGIDOSJAWEUAL-HNNXBMFYSA-N 2 1 362.474 0.991 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)[nH+]1 ZINC001336671026 1260197570 /nfs/dbraw/zinc/19/75/70/1260197570.db2.gz JBFFDSNIZQXNDF-UHFFFAOYSA-N 2 1 359.474 0.910 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)c1nccnc1C[NH3+] ZINC001336680733 1260201580 /nfs/dbraw/zinc/20/15/80/1260201580.db2.gz AYYYJXSSBIHDIK-UHFFFAOYSA-N 2 1 368.441 0.600 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001261960575 1260231539 /nfs/dbraw/zinc/23/15/39/1260231539.db2.gz AQSPRQPYARPABE-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP COC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC001336869134 1260240821 /nfs/dbraw/zinc/24/08/21/1260240821.db2.gz XRLDQJXRVNVRSB-XMTFNYHQSA-N 2 1 366.506 0.791 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978860 1260273972 /nfs/dbraw/zinc/27/39/72/1260273972.db2.gz XKYAQZKRSBLUPQ-OAGGEKHMSA-N 2 1 359.536 0.861 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051387 1260295596 /nfs/dbraw/zinc/29/55/96/1260295596.db2.gz CANZZVHYNXUMAJ-WRWLIDTKSA-N 2 1 374.485 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051387 1260295602 /nfs/dbraw/zinc/29/56/02/1260295602.db2.gz CANZZVHYNXUMAJ-WRWLIDTKSA-N 2 1 374.485 0.950 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001337953714 1260524442 /nfs/dbraw/zinc/52/44/42/1260524442.db2.gz OQNAGFNVBKQPDS-IBGZPJMESA-N 2 1 361.490 0.304 20 0 FCADMP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3OCCN(CCn4ccnc4)[C@H]3C2)C1 ZINC001273254811 1260637467 /nfs/dbraw/zinc/63/74/67/1260637467.db2.gz MEQILOLHAAQCPB-BZSNNMDCSA-N 2 1 361.490 0.527 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183988 1260686901 /nfs/dbraw/zinc/68/69/01/1260686901.db2.gz UWGHWHNNKNLLBI-VQTJNVASSA-N 2 1 366.550 0.973 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001278472011 1260696045 /nfs/dbraw/zinc/69/60/45/1260696045.db2.gz ZGEKWHWBOOZBMR-DLBZAZTESA-N 2 1 360.502 0.674 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001278768778 1260728870 /nfs/dbraw/zinc/72/88/70/1260728870.db2.gz GMVWOZJSQYPRDC-UHFFFAOYSA-N 2 1 358.486 0.984 20 0 FCADMP COC(=O)c1cnc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)cn1 ZINC001278827702 1260739520 /nfs/dbraw/zinc/73/95/20/1260739520.db2.gz NYXQLLOKSJHSLN-IYBDPMFKSA-N 2 1 361.490 0.969 20 0 FCADMP COC(=O)c1cnc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)cn1 ZINC001278827702 1260739524 /nfs/dbraw/zinc/73/95/24/1260739524.db2.gz NYXQLLOKSJHSLN-IYBDPMFKSA-N 2 1 361.490 0.969 20 0 FCADMP COC(=O)c1cnc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)cn1 ZINC001278827702 1260739526 /nfs/dbraw/zinc/73/95/26/1260739526.db2.gz NYXQLLOKSJHSLN-IYBDPMFKSA-N 2 1 361.490 0.969 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cn1 ZINC001278827702 1260739532 /nfs/dbraw/zinc/73/95/32/1260739532.db2.gz NYXQLLOKSJHSLN-IYBDPMFKSA-N 2 1 361.490 0.969 20 0 FCADMP COC(=O)c1cnc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cn1 ZINC001278827702 1260739536 /nfs/dbraw/zinc/73/95/36/1260739536.db2.gz NYXQLLOKSJHSLN-IYBDPMFKSA-N 2 1 361.490 0.969 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccn4)CC3)[C@@H]2C1 ZINC001279172343 1260796898 /nfs/dbraw/zinc/79/68/98/1260796898.db2.gz ATOPGVDHQVDJFC-QZTJIDSGSA-N 2 1 357.502 0.656 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1C[C@H]2C[C@@H](C1)N2CC[NH+](C)C ZINC001279483362 1260877765 /nfs/dbraw/zinc/87/77/65/1260877765.db2.gz CKQHBAJVFHQVTN-CALCHBBNSA-N 2 1 355.486 0.866 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502264 1260881164 /nfs/dbraw/zinc/88/11/64/1260881164.db2.gz PFWNQRJDIGARLK-ULQDDVLXSA-N 2 1 359.474 0.260 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502264 1260881172 /nfs/dbraw/zinc/88/11/72/1260881172.db2.gz PFWNQRJDIGARLK-ULQDDVLXSA-N 2 1 359.474 0.260 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502264 1260881177 /nfs/dbraw/zinc/88/11/77/1260881177.db2.gz PFWNQRJDIGARLK-ULQDDVLXSA-N 2 1 359.474 0.260 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502264 1260881180 /nfs/dbraw/zinc/88/11/80/1260881180.db2.gz PFWNQRJDIGARLK-ULQDDVLXSA-N 2 1 359.474 0.260 20 0 FCADMP CC/C=C\CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001279520975 1260882918 /nfs/dbraw/zinc/88/29/18/1260882918.db2.gz JLKIDIIKDZFRDN-MBZYTVFJSA-N 2 1 362.518 0.943 20 0 FCADMP Cc1nccc(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)n1 ZINC001279572417 1260895447 /nfs/dbraw/zinc/89/54/47/1260895447.db2.gz CNXHCLGBWCJPCI-IBGZPJMESA-N 2 1 360.506 0.503 20 0 FCADMP Cc1nccc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)n1 ZINC001279572417 1260895456 /nfs/dbraw/zinc/89/54/56/1260895456.db2.gz CNXHCLGBWCJPCI-IBGZPJMESA-N 2 1 360.506 0.503 20 0 FCADMP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H]21 ZINC001279619395 1260902191 /nfs/dbraw/zinc/90/21/91/1260902191.db2.gz AJPJJCYCMYHGHH-CVEARBPZSA-N 2 1 362.478 0.072 20 0 FCADMP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1N ZINC001279699697 1260917206 /nfs/dbraw/zinc/91/72/06/1260917206.db2.gz ZMEIVFBHCFBIFF-GASCZTMLSA-N 2 1 364.490 0.733 20 0 FCADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1N ZINC001279699697 1260917213 /nfs/dbraw/zinc/91/72/13/1260917213.db2.gz ZMEIVFBHCFBIFF-GASCZTMLSA-N 2 1 364.490 0.733 20 0 FCADMP Cc1cccc(N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCN(C)C)C[C@H]23)[nH+]1 ZINC001279752880 1260928764 /nfs/dbraw/zinc/92/87/64/1260928764.db2.gz TTXRKMVLQVERNQ-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1cccc(N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCN(C)C)C[C@H]23)[nH+]1 ZINC001279752880 1260928766 /nfs/dbraw/zinc/92/87/66/1260928766.db2.gz TTXRKMVLQVERNQ-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@@H+](C[C@H]2CCC(=O)N2)C3)CC1 ZINC001279900673 1260956573 /nfs/dbraw/zinc/95/65/73/1260956573.db2.gz UWALNMRIASGWAF-FUHIMQAGSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4cn[nH]c4)C[C@@H]3O2)CC1 ZINC001279919283 1260962731 /nfs/dbraw/zinc/96/27/31/1260962731.db2.gz PQOFXLXAKLXBCO-NJAFHUGGSA-N 2 1 361.490 0.942 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279930684 1260969447 /nfs/dbraw/zinc/96/94/47/1260969447.db2.gz ZAULELGTNYPPNQ-KZULUSFZSA-N 2 1 361.446 0.229 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cncnc2)C3)cn1 ZINC001279972080 1260976252 /nfs/dbraw/zinc/97/62/52/1260976252.db2.gz MCZRXLFVFWVZTR-CRAIPNDOSA-N 2 1 355.446 0.695 20 0 FCADMP COCOCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280088773 1260995333 /nfs/dbraw/zinc/99/53/33/1260995333.db2.gz IVQQUFVHBWNPOB-MAUKXSAKSA-N 2 1 365.478 0.858 20 0 FCADMP COCOCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280088773 1260995339 /nfs/dbraw/zinc/99/53/39/1260995339.db2.gz IVQQUFVHBWNPOB-MAUKXSAKSA-N 2 1 365.478 0.858 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CCCOCOC)C[C@H]12 ZINC001280090404 1260997286 /nfs/dbraw/zinc/99/72/86/1260997286.db2.gz SAQFPDJCJSJTKE-JKSUJKDBSA-N 2 1 370.494 0.484 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CC[C@H](C(=O)N2CC4(CC(O)C4)C2)O3)CC1 ZINC001280126263 1261011531 /nfs/dbraw/zinc/01/15/31/1261011531.db2.gz UZOKWGFDEKHKQE-QGZVFWFLSA-N 2 1 363.502 0.545 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3C[C@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280140499 1261014050 /nfs/dbraw/zinc/01/40/50/1261014050.db2.gz KSWAFDPWZDWHAK-QFBILLFUSA-N 2 1 358.490 0.817 20 0 FCADMP Cc1nc(CNC(=O)c2cc3c([nH]2)C[N@@H+](CC2CC[NH2+]CC2)CC3)no1 ZINC001280138488 1261014700 /nfs/dbraw/zinc/01/47/00/1261014700.db2.gz ZHINVKYIMNZSSM-UHFFFAOYSA-N 2 1 358.446 0.994 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@H]3C(=O)NC4(CC[NH+](C[C@@H](C)O)CC4)[C@@H]3C2)n(C)n1 ZINC001280188738 1261026470 /nfs/dbraw/zinc/02/64/70/1261026470.db2.gz JODHDCRLHCSQLS-DJIMGWMZSA-N 2 1 361.490 0.122 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201384 1261030493 /nfs/dbraw/zinc/03/04/93/1261030493.db2.gz PTFSCXONTHIBQC-XKGZKEIXSA-N 2 1 365.518 0.793 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001280211606 1261034316 /nfs/dbraw/zinc/03/43/16/1261034316.db2.gz YGJNPNRSLPCBSI-QDMKHBRRSA-N 2 1 361.494 0.839 20 0 FCADMP C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001280259528 1261043146 /nfs/dbraw/zinc/04/31/46/1261043146.db2.gz PYAQGOISUWMNNS-AWEZNQCLSA-N 2 1 360.506 0.891 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001280303561 1261053314 /nfs/dbraw/zinc/05/33/14/1261053314.db2.gz XLYBVDJDTZQLCX-UHFFFAOYSA-N 2 1 365.522 0.620 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001280303561 1261053316 /nfs/dbraw/zinc/05/33/16/1261053316.db2.gz XLYBVDJDTZQLCX-UHFFFAOYSA-N 2 1 365.522 0.620 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3c[nH]cn3)C[C@H]3CCCO[C@H]32)CC1 ZINC001280341863 1261059141 /nfs/dbraw/zinc/05/91/41/1261059141.db2.gz QFCKSPMVZMJYMT-FHLIZLRMSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3cnc[nH]3)C[C@H]3CCCO[C@H]32)CC1 ZINC001280341863 1261059149 /nfs/dbraw/zinc/05/91/49/1261059149.db2.gz QFCKSPMVZMJYMT-FHLIZLRMSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3cnc[nH]3)C[C@H]3CCCO[C@H]32)CC1 ZINC001280341863 1261059152 /nfs/dbraw/zinc/05/91/52/1261059152.db2.gz QFCKSPMVZMJYMT-FHLIZLRMSA-N 2 1 361.490 0.847 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001332339380 1266381907 /nfs/dbraw/zinc/38/19/07/1266381907.db2.gz ISZRTKDJQBDITR-QAQDUYKDSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001332339380 1266381918 /nfs/dbraw/zinc/38/19/18/1266381918.db2.gz ISZRTKDJQBDITR-QAQDUYKDSA-N 2 1 358.486 0.963 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001332519492 1266421693 /nfs/dbraw/zinc/42/16/93/1266421693.db2.gz HTRZBXBEUJIELV-SFHVURJKSA-N 2 1 374.485 0.168 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001345200757 1261649848 /nfs/dbraw/zinc/64/98/48/1261649848.db2.gz WLTJQEZFHSKAIW-UHFFFAOYSA-N 2 1 363.462 0.523 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001580345162 1278142771 /nfs/dbraw/zinc/14/27/71/1278142771.db2.gz GBTFZINLUGHOES-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP [NH3+]Cc1cn(-c2cccc(CNC(=O)NCC[N@@H+]3CC=CCC3)c2)nn1 ZINC001580348958 1278147723 /nfs/dbraw/zinc/14/77/23/1278147723.db2.gz BZODERAETIKFMV-UHFFFAOYSA-N 2 1 355.446 0.787 20 0 FCADMP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001295547264 1262769641 /nfs/dbraw/zinc/76/96/41/1262769641.db2.gz DESBVMPJWYCDLJ-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001479669757 1263328240 /nfs/dbraw/zinc/32/82/40/1263328240.db2.gz KWMHYVUKIQWYCM-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001483965998 1263450059 /nfs/dbraw/zinc/45/00/59/1263450059.db2.gz BOODNISQUSGGDU-HUUCEWRRSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001483965998 1263450063 /nfs/dbraw/zinc/45/00/63/1263450063.db2.gz BOODNISQUSGGDU-HUUCEWRRSA-N 2 1 359.536 0.732 20 0 FCADMP Cc1nnc([C@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001484955162 1263493816 /nfs/dbraw/zinc/49/38/16/1263493816.db2.gz SPLUKLUYKZGYAP-GZBFAFLISA-N 2 1 365.478 0.722 20 0 FCADMP Cc1nnc([C@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001484955162 1263493820 /nfs/dbraw/zinc/49/38/20/1263493820.db2.gz SPLUKLUYKZGYAP-GZBFAFLISA-N 2 1 365.478 0.722 20 0 FCADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCN(C(C)C)C1=O ZINC001486428581 1263539117 /nfs/dbraw/zinc/53/91/17/1263539117.db2.gz LTYJZXOETJCDCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCN(C(C)C)C1=O ZINC001486428581 1263539123 /nfs/dbraw/zinc/53/91/23/1263539123.db2.gz LTYJZXOETJCDCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(C)C)C1=O ZINC001486428581 1263539125 /nfs/dbraw/zinc/53/91/25/1263539125.db2.gz LTYJZXOETJCDCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(C(C)C)C1=O ZINC001486428581 1263539132 /nfs/dbraw/zinc/53/91/32/1263539132.db2.gz LTYJZXOETJCDCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)(C)[NH2+]CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001319117031 1263654663 /nfs/dbraw/zinc/65/46/63/1263654663.db2.gz MJZKEBZRUNDIRJ-UHFFFAOYSA-N 2 1 368.522 0.452 20 0 FCADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc2c[nH+]cn21 ZINC001319989435 1263751414 /nfs/dbraw/zinc/75/14/14/1263751414.db2.gz FCRTUTZWTFCBEK-INIZCTEOSA-N 2 1 357.458 0.779 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320934397 1263884498 /nfs/dbraw/zinc/88/44/98/1263884498.db2.gz CDRBYUNSJHFECJ-QGZVFWFLSA-N 2 1 368.441 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001497148136 1263918380 /nfs/dbraw/zinc/91/83/80/1263918380.db2.gz ATEDIPCQWXBNJT-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC001580387681 1278211893 /nfs/dbraw/zinc/21/18/93/1278211893.db2.gz BWLNRDHGWJMYMY-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC001580387681 1278211897 /nfs/dbraw/zinc/21/18/97/1278211897.db2.gz BWLNRDHGWJMYMY-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC001580387681 1278211901 /nfs/dbraw/zinc/21/19/01/1278211901.db2.gz BWLNRDHGWJMYMY-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC001580387681 1278211906 /nfs/dbraw/zinc/21/19/06/1278211906.db2.gz BWLNRDHGWJMYMY-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CC)[C@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503112644 1264194472 /nfs/dbraw/zinc/19/44/72/1264194472.db2.gz IXLJJEKCBFBZPQ-CRAIPNDOSA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001503112644 1264194478 /nfs/dbraw/zinc/19/44/78/1264194478.db2.gz IXLJJEKCBFBZPQ-CRAIPNDOSA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001503112644 1264194483 /nfs/dbraw/zinc/19/44/83/1264194483.db2.gz IXLJJEKCBFBZPQ-CRAIPNDOSA-N 2 1 366.510 0.412 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001506958653 1264347659 /nfs/dbraw/zinc/34/76/59/1264347659.db2.gz WPICZWTVQWSHJD-BPQIPLTHSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)C[C@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001506958653 1264347666 /nfs/dbraw/zinc/34/76/66/1264347666.db2.gz WPICZWTVQWSHJD-BPQIPLTHSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)C[C@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001506958653 1264347671 /nfs/dbraw/zinc/34/76/71/1264347671.db2.gz WPICZWTVQWSHJD-BPQIPLTHSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506957906 1264348636 /nfs/dbraw/zinc/34/86/36/1264348636.db2.gz FKUBURXHIRZLCL-CKEIUWERSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506957906 1264348648 /nfs/dbraw/zinc/34/86/48/1264348648.db2.gz FKUBURXHIRZLCL-CKEIUWERSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506957906 1264348660 /nfs/dbraw/zinc/34/86/60/1264348660.db2.gz FKUBURXHIRZLCL-CKEIUWERSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3ccccc3)CC2)CC[N@H+]1C ZINC001323445018 1264430599 /nfs/dbraw/zinc/43/05/99/1264430599.db2.gz VUSXTZGXYRNCQF-NVXWUHKLSA-N 2 1 358.486 0.881 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001324269369 1264608084 /nfs/dbraw/zinc/60/80/84/1264608084.db2.gz ZRJHGXGKFVWBLF-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001324268098 1264608164 /nfs/dbraw/zinc/60/81/64/1264608164.db2.gz NAQBAXNZDYHLHO-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001512351022 1264619865 /nfs/dbraw/zinc/61/98/65/1264619865.db2.gz BMPYWTDDKGPOMV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001512351022 1264619870 /nfs/dbraw/zinc/61/98/70/1264619870.db2.gz BMPYWTDDKGPOMV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001512351022 1264619874 /nfs/dbraw/zinc/61/98/74/1264619874.db2.gz BMPYWTDDKGPOMV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001512846126 1264690439 /nfs/dbraw/zinc/69/04/39/1264690439.db2.gz JGTVFZKLZSXZGI-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070283 1264912302 /nfs/dbraw/zinc/91/23/02/1264912302.db2.gz SMIFHAQYSASICZ-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070283 1264912310 /nfs/dbraw/zinc/91/23/10/1264912310.db2.gz SMIFHAQYSASICZ-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070283 1264912316 /nfs/dbraw/zinc/91/23/16/1264912316.db2.gz SMIFHAQYSASICZ-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001325829781 1265005466 /nfs/dbraw/zinc/00/54/66/1265005466.db2.gz GEGDPUWZFWFNAF-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC001325882785 1265013853 /nfs/dbraw/zinc/01/38/53/1265013853.db2.gz VYSQVVKWMWMUDW-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@H+]1CCOC ZINC001325882785 1265013855 /nfs/dbraw/zinc/01/38/55/1265013855.db2.gz VYSQVVKWMWMUDW-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP Cc1c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)nnn1C1CC[NH2+]CC1 ZINC001326052043 1265053254 /nfs/dbraw/zinc/05/32/54/1265053254.db2.gz JVWZPBWBOUJAEY-HNNXBMFYSA-N 2 1 362.478 0.305 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001513386774 1265082975 /nfs/dbraw/zinc/08/29/75/1265082975.db2.gz UPFCBRWFDUQBEH-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580406624 1278244746 /nfs/dbraw/zinc/24/47/46/1278244746.db2.gz QVBBAVPGSHKHOV-YPMHNXCESA-N 2 1 361.425 0.552 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)c3cnn(C)c3)CC2)CC1 ZINC001326353384 1265098524 /nfs/dbraw/zinc/09/85/24/1265098524.db2.gz JDENFQVDZZGZBB-SFHVURJKSA-N 2 1 363.506 0.766 20 0 FCADMP CNC(=O)NC1CCN([C@@H](C)CC[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC001327739935 1265409768 /nfs/dbraw/zinc/40/97/68/1265409768.db2.gz IRPNVZUWYMVAIN-AWEZNQCLSA-N 2 1 368.526 0.552 20 0 FCADMP CNC(=O)NC1CC[NH+](CC[C@H](C)[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC001327739935 1265409773 /nfs/dbraw/zinc/40/97/73/1265409773.db2.gz IRPNVZUWYMVAIN-AWEZNQCLSA-N 2 1 368.526 0.552 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC001333263858 1266566629 /nfs/dbraw/zinc/56/66/29/1266566629.db2.gz ZXEBCADPKZNPNG-ICSRJNTNSA-N 2 1 372.513 0.786 20 0 FCADMP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575028 1266636160 /nfs/dbraw/zinc/63/61/60/1266636160.db2.gz RBDDXEWBODYEDN-BZUAXINKSA-N 2 1 350.463 0.597 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001333958583 1266757072 /nfs/dbraw/zinc/75/70/72/1266757072.db2.gz CGFNPEXWBGSYKF-ZWOKBUDYSA-N 2 1 358.486 0.868 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001334241264 1266905549 /nfs/dbraw/zinc/90/55/49/1266905549.db2.gz MCIDJMGBIIQRDU-KZNAEPCWSA-N 2 1 367.538 0.552 20 0 FCADMP CCCN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001529516955 1267063675 /nfs/dbraw/zinc/06/36/75/1267063675.db2.gz FPAJSJSBKNZPRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001529516955 1267063690 /nfs/dbraw/zinc/06/36/90/1267063690.db2.gz FPAJSJSBKNZPRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001529516955 1267063699 /nfs/dbraw/zinc/06/36/99/1267063699.db2.gz FPAJSJSBKNZPRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001529516955 1267063714 /nfs/dbraw/zinc/06/37/14/1267063714.db2.gz FPAJSJSBKNZPRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001529516955 1267063719 /nfs/dbraw/zinc/06/37/19/1267063719.db2.gz FPAJSJSBKNZPRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001548479471 1267723172 /nfs/dbraw/zinc/72/31/72/1267723172.db2.gz RDSIEJZLHQDUBQ-MOPGFXCFSA-N 2 1 374.533 0.914 20 0 FCADMP [NH3+]CC1CCC(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001548923594 1267772219 /nfs/dbraw/zinc/77/22/19/1267772219.db2.gz MBCAMXPKIWYPSV-UHFFFAOYSA-N 2 1 368.522 0.932 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])cn1 ZINC001549033510 1267792928 /nfs/dbraw/zinc/79/29/28/1267792928.db2.gz OVDNCJRALOEKRJ-GBESFXJTSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])cn1 ZINC001549033510 1267792932 /nfs/dbraw/zinc/79/29/32/1267792932.db2.gz OVDNCJRALOEKRJ-GBESFXJTSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C[C@@H]2[NH3+])cn1 ZINC001549075889 1267799716 /nfs/dbraw/zinc/79/97/16/1267799716.db2.gz IPDNGOYWRWYZMO-OKZBNKHCSA-N 2 1 354.458 0.733 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C[C@@H]2[NH3+])cn1 ZINC001549075889 1267799724 /nfs/dbraw/zinc/79/97/24/1267799724.db2.gz IPDNGOYWRWYZMO-OKZBNKHCSA-N 2 1 354.458 0.733 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001549496458 1267927524 /nfs/dbraw/zinc/92/75/24/1267927524.db2.gz PYSYFOQMCQRBMC-FHWLQOOXSA-N 2 1 365.518 0.791 20 0 FCADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464268 1267948804 /nfs/dbraw/zinc/94/88/04/1267948804.db2.gz CBWZVLLUTJYJRX-GBESFXJTSA-N 2 1 350.459 0.115 20 0 FCADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464268 1267948808 /nfs/dbraw/zinc/94/88/08/1267948808.db2.gz CBWZVLLUTJYJRX-GBESFXJTSA-N 2 1 350.459 0.115 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001549762372 1267993848 /nfs/dbraw/zinc/99/38/48/1267993848.db2.gz OIODWPZBDQAWJV-HYVNUMGLSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001549762372 1267993851 /nfs/dbraw/zinc/99/38/51/1267993851.db2.gz OIODWPZBDQAWJV-HYVNUMGLSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC001550005401 1268043736 /nfs/dbraw/zinc/04/37/36/1268043736.db2.gz SGTSRMUYVASCDD-FGTMMUONSA-N 2 1 374.533 0.865 20 0 FCADMP C[C@H](CCC(=O)NC[C@@H]1CC[N@@H+](C)C1)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC001338824621 1268101812 /nfs/dbraw/zinc/10/18/12/1268101812.db2.gz NPZIPIRLXHSUPZ-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@@H]1CC[NH+](C)C1)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001338824621 1268101817 /nfs/dbraw/zinc/10/18/17/1268101817.db2.gz NPZIPIRLXHSUPZ-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@@H]1CC[NH+](C)C1)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001338824621 1268101822 /nfs/dbraw/zinc/10/18/22/1268101822.db2.gz NPZIPIRLXHSUPZ-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC001550283962 1268103884 /nfs/dbraw/zinc/10/38/84/1268103884.db2.gz NJQUHMCEPGCUAH-ZACQAIPSSA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001550387375 1268109152 /nfs/dbraw/zinc/10/91/52/1268109152.db2.gz DGFBKMOGWHNQFV-KZNAEPCWSA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001550387375 1268109156 /nfs/dbraw/zinc/10/91/56/1268109156.db2.gz DGFBKMOGWHNQFV-KZNAEPCWSA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001550387375 1268109158 /nfs/dbraw/zinc/10/91/58/1268109158.db2.gz DGFBKMOGWHNQFV-KZNAEPCWSA-N 2 1 352.523 0.506 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410407 1268112408 /nfs/dbraw/zinc/11/24/08/1268112408.db2.gz ZMZNJADGOHYWTR-ATZDWAIDSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410407 1268112412 /nfs/dbraw/zinc/11/24/12/1268112412.db2.gz ZMZNJADGOHYWTR-ATZDWAIDSA-N 2 1 361.490 0.401 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487326 1268127097 /nfs/dbraw/zinc/12/70/97/1268127097.db2.gz BJZILUITPGRVIK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487326 1268127102 /nfs/dbraw/zinc/12/71/02/1268127102.db2.gz BJZILUITPGRVIK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[N@@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487326 1268127106 /nfs/dbraw/zinc/12/71/06/1268127106.db2.gz BJZILUITPGRVIK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[N@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487326 1268127108 /nfs/dbraw/zinc/12/71/08/1268127108.db2.gz BJZILUITPGRVIK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485833 1268127382 /nfs/dbraw/zinc/12/73/82/1268127382.db2.gz DQEPRAWNCFOCFU-WDDLDYLJSA-N 2 1 353.507 0.428 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485833 1268127385 /nfs/dbraw/zinc/12/73/85/1268127385.db2.gz DQEPRAWNCFOCFU-WDDLDYLJSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485833 1268127393 /nfs/dbraw/zinc/12/73/93/1268127393.db2.gz DQEPRAWNCFOCFU-WDDLDYLJSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550485833 1268127397 /nfs/dbraw/zinc/12/73/97/1268127397.db2.gz DQEPRAWNCFOCFU-WDDLDYLJSA-N 2 1 353.507 0.428 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)C2 ZINC001550485109 1268127858 /nfs/dbraw/zinc/12/78/58/1268127858.db2.gz QWOWSWKRHSYGBU-DWRORGKVSA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C2 ZINC001550485109 1268127862 /nfs/dbraw/zinc/12/78/62/1268127862.db2.gz QWOWSWKRHSYGBU-DWRORGKVSA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C2 ZINC001550485109 1268127864 /nfs/dbraw/zinc/12/78/64/1268127864.db2.gz QWOWSWKRHSYGBU-DWRORGKVSA-N 2 1 352.523 0.076 20 0 FCADMP CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)CN3CC[NH+](C)CC3)C2)[C@H]1C(C)C ZINC001550697332 1268153320 /nfs/dbraw/zinc/15/33/20/1268153320.db2.gz LXRYMMNZEZXWHQ-DKKFBQAASA-N 2 1 352.523 0.220 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)CN3CC[NH+](C)CC3)C2)[C@H]1C(C)C ZINC001550697332 1268153323 /nfs/dbraw/zinc/15/33/23/1268153323.db2.gz LXRYMMNZEZXWHQ-DKKFBQAASA-N 2 1 352.523 0.220 20 0 FCADMP C[N@H+]1C[C@@]23CN(C(=O)NCc4cn([C@@H]5CC[NH2+]C5)nn4)C[C@]2(C1)CCCC3 ZINC001550743927 1268160216 /nfs/dbraw/zinc/16/02/16/1268160216.db2.gz BRRIUCCVCRJLAJ-QRQLOZEOSA-N 2 1 373.505 0.830 20 0 FCADMP C[N@H+]1C[C@@]23CN(C(=O)NCc4cn([C@H]5CC[NH2+]C5)nn4)C[C@]2(C1)CCCC3 ZINC001550743933 1268160239 /nfs/dbraw/zinc/16/02/39/1268160239.db2.gz BRRIUCCVCRJLAJ-YTQUADARSA-N 2 1 373.505 0.830 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@@H](O)C2)C1 ZINC001550749304 1268161670 /nfs/dbraw/zinc/16/16/70/1268161670.db2.gz BUKGEGQUUMJGCQ-QZTJIDSGSA-N 2 1 362.474 0.172 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@@H](O)C2)C1 ZINC001550749304 1268161672 /nfs/dbraw/zinc/16/16/72/1268161672.db2.gz BUKGEGQUUMJGCQ-QZTJIDSGSA-N 2 1 362.474 0.172 20 0 FCADMP O=C(NCc1cnn2c1C[NH2+]CC2)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001550754338 1268163196 /nfs/dbraw/zinc/16/31/96/1268163196.db2.gz JGTHDPNBLWCUDF-ZIAGYGMSSA-N 2 1 358.368 0.328 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C2 ZINC001550903155 1268181939 /nfs/dbraw/zinc/18/19/39/1268181939.db2.gz ITYLUDISYZKRNM-FPAYPSAMSA-N 2 1 353.507 0.287 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C2 ZINC001550903155 1268181942 /nfs/dbraw/zinc/18/19/42/1268181942.db2.gz ITYLUDISYZKRNM-FPAYPSAMSA-N 2 1 353.507 0.287 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC001550911787 1268184111 /nfs/dbraw/zinc/18/41/11/1268184111.db2.gz DMVRODNURSINLL-ZFWWWQNUSA-N 2 1 351.476 0.838 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001550980904 1268187899 /nfs/dbraw/zinc/18/78/99/1268187899.db2.gz SDHQEFZAPHMYSC-GVDBMIGSSA-N 2 1 354.495 0.600 20 0 FCADMP Cn1nc([C@@H]2C[C@H](O)[C@H](C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223536 1268215865 /nfs/dbraw/zinc/21/58/65/1268215865.db2.gz NHKMDLOMWMNIRD-AJNGGQMLSA-N 2 1 351.495 0.436 20 0 FCADMP Cn1nc([C@H]2C[C@H](O)[C@H](C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223538 1268216069 /nfs/dbraw/zinc/21/60/69/1268216069.db2.gz NHKMDLOMWMNIRD-QPSCCSFWSA-N 2 1 351.495 0.436 20 0 FCADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001551229802 1268216184 /nfs/dbraw/zinc/21/61/84/1268216184.db2.gz RUTBSVIRKXDVAA-MANSERQUSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001551229802 1268216188 /nfs/dbraw/zinc/21/61/88/1268216188.db2.gz RUTBSVIRKXDVAA-MANSERQUSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001551229802 1268216192 /nfs/dbraw/zinc/21/61/92/1268216192.db2.gz RUTBSVIRKXDVAA-MANSERQUSA-N 2 1 358.486 0.792 20 0 FCADMP Cn1cc([C@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@@H]2CO)cn1 ZINC001551236463 1268217479 /nfs/dbraw/zinc/21/74/79/1268217479.db2.gz SOLRNFJCUAIPSL-QZTJIDSGSA-N 2 1 371.489 0.170 20 0 FCADMP Cn1cc([C@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@@H]2CO)cn1 ZINC001551236463 1268217485 /nfs/dbraw/zinc/21/74/85/1268217485.db2.gz SOLRNFJCUAIPSL-QZTJIDSGSA-N 2 1 371.489 0.170 20 0 FCADMP C[N@H+]1[C@H](CO)C[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]21 ZINC001551477843 1268258777 /nfs/dbraw/zinc/25/87/77/1268258777.db2.gz HZVCDPGCXJXPPA-JURFCUMRSA-N 2 1 358.486 0.752 20 0 FCADMP COCCOCC[NH+]1CCN(c2nnc(C3CC[NH+](C)CC3)n2C)CC1 ZINC001339531198 1268262089 /nfs/dbraw/zinc/26/20/89/1268262089.db2.gz STDTUKZPNNHBQW-UHFFFAOYSA-N 2 1 366.510 0.409 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576793 1268275743 /nfs/dbraw/zinc/27/57/43/1268275743.db2.gz RAUNJMAHTKFGQG-NRGCRIOASA-N 2 1 357.502 0.982 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576793 1268275749 /nfs/dbraw/zinc/27/57/49/1268275749.db2.gz RAUNJMAHTKFGQG-NRGCRIOASA-N 2 1 357.502 0.982 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551576853 1268275858 /nfs/dbraw/zinc/27/58/58/1268275858.db2.gz KCWDHMUHJBPMFR-RYRKJORJSA-N 2 1 365.522 0.759 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)CC1 ZINC001551588421 1268279512 /nfs/dbraw/zinc/27/95/12/1268279512.db2.gz LJODUWIDJXJOTO-WUJZJPHMSA-N 2 1 363.506 0.452 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551589979 1268280465 /nfs/dbraw/zinc/28/04/65/1268280465.db2.gz JFAZLCHBAXBQQS-LESCRADOSA-N 2 1 365.522 0.616 20 0 FCADMP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001551592994 1268280676 /nfs/dbraw/zinc/28/06/76/1268280676.db2.gz NUFCXDDIXDMMBH-BQFCYCMXSA-N 2 1 363.506 0.513 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551592791 1268281288 /nfs/dbraw/zinc/28/12/88/1268281288.db2.gz NAVGZTLXIWXONO-JLJPHGGASA-N 2 1 351.495 0.226 20 0 FCADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597798 1268283650 /nfs/dbraw/zinc/28/36/50/1268283650.db2.gz XBWNETZNUAFWBW-WBVHZDCISA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC001339854656 1268349063 /nfs/dbraw/zinc/34/90/63/1268349063.db2.gz IPFGLNATURTLKA-RKVPGOIHSA-N 2 1 372.469 0.922 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC001552089758 1268368960 /nfs/dbraw/zinc/36/89/60/1268368960.db2.gz CFGASGQZFYPGNY-IAGOWNOFSA-N 2 1 363.506 0.601 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552100170 1268373461 /nfs/dbraw/zinc/37/34/61/1268373461.db2.gz UXIMSOMOHXXKSQ-BRWVUGGUSA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552100170 1268373471 /nfs/dbraw/zinc/37/34/71/1268373471.db2.gz UXIMSOMOHXXKSQ-BRWVUGGUSA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552100170 1268373480 /nfs/dbraw/zinc/37/34/80/1268373480.db2.gz UXIMSOMOHXXKSQ-BRWVUGGUSA-N 2 1 367.538 0.299 20 0 FCADMP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001552168004 1268400995 /nfs/dbraw/zinc/40/09/95/1268400995.db2.gz VTLXMZJSEBCJHP-KRWDZBQOSA-N 2 1 366.469 0.738 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)oc1C ZINC001552201848 1268408036 /nfs/dbraw/zinc/40/80/36/1268408036.db2.gz ZRANRIJOKDUWIL-APWZRJJASA-N 2 1 362.474 0.856 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201400 1268408126 /nfs/dbraw/zinc/40/81/26/1268408126.db2.gz MUBDEOQTHJKITO-UZLBHIALSA-N 2 1 372.469 0.639 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)CC2)oc1C ZINC001552201850 1268408331 /nfs/dbraw/zinc/40/83/31/1268408331.db2.gz ZRANRIJOKDUWIL-QFBILLFUSA-N 2 1 362.474 0.856 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CCO1 ZINC001552201315 1268408459 /nfs/dbraw/zinc/40/84/59/1268408459.db2.gz LGVIHNKADOBUSZ-MOXGXCLJSA-N 2 1 359.470 0.760 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CCO1 ZINC001552201315 1268408462 /nfs/dbraw/zinc/40/84/62/1268408462.db2.gz LGVIHNKADOBUSZ-MOXGXCLJSA-N 2 1 359.470 0.760 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552201493 1268408514 /nfs/dbraw/zinc/40/85/14/1268408514.db2.gz POKSWLXWKNBKMV-NTDBWNAOSA-N 2 1 350.507 0.239 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001340121170 1268442704 /nfs/dbraw/zinc/44/27/04/1268442704.db2.gz MRFITICXNSCSPY-UKRRQHHQSA-N 2 1 352.504 0.877 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001340146807 1268449731 /nfs/dbraw/zinc/44/97/31/1268449731.db2.gz CLXFKPSRPDHZOD-JSGCOSHPSA-N 2 1 359.396 0.706 20 0 FCADMP Cc1c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552441827 1268465721 /nfs/dbraw/zinc/46/57/21/1268465721.db2.gz MFNFWGHWUQQQJA-CQSZACIVSA-N 2 1 358.450 0.253 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CC1 ZINC001340198523 1268468544 /nfs/dbraw/zinc/46/85/44/1268468544.db2.gz FZOXBKRJBNOXOA-CYBMUJFWSA-N 2 1 363.462 0.380 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552690559 1268522424 /nfs/dbraw/zinc/52/24/24/1268522424.db2.gz GVIRGWSISLLHAJ-BFYDXBDKSA-N 2 1 364.494 0.807 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552708418 1268526870 /nfs/dbraw/zinc/52/68/70/1268526870.db2.gz SQKLYMWSXHLUQD-KRWDZBQOSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001552708418 1268526879 /nfs/dbraw/zinc/52/68/79/1268526879.db2.gz SQKLYMWSXHLUQD-KRWDZBQOSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708857 1268528882 /nfs/dbraw/zinc/52/88/82/1268528882.db2.gz KRWJOEVMTRPYKH-OIISXLGYSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708857 1268528886 /nfs/dbraw/zinc/52/88/86/1268528886.db2.gz KRWJOEVMTRPYKH-OIISXLGYSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC001552708857 1268528893 /nfs/dbraw/zinc/52/88/93/1268528893.db2.gz KRWJOEVMTRPYKH-OIISXLGYSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC001552708857 1268528897 /nfs/dbraw/zinc/52/88/97/1268528897.db2.gz KRWJOEVMTRPYKH-OIISXLGYSA-N 2 1 361.490 0.543 20 0 FCADMP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001340397060 1268534219 /nfs/dbraw/zinc/53/42/19/1268534219.db2.gz DCYIEVIERSFQNL-UYAOXDASSA-N 2 1 361.486 0.898 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC001552808669 1268552628 /nfs/dbraw/zinc/55/26/28/1268552628.db2.gz YZLRVOJLCJMSOV-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@H]2CCC[C@H]2N(C)C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001552808669 1268552634 /nfs/dbraw/zinc/55/26/34/1268552634.db2.gz YZLRVOJLCJMSOV-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@H]2CCC[C@H]2N(C)C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001552808669 1268552638 /nfs/dbraw/zinc/55/26/38/1268552638.db2.gz YZLRVOJLCJMSOV-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCN1C)C2 ZINC001552996211 1268574157 /nfs/dbraw/zinc/57/41/57/1268574157.db2.gz GGPCYSCWHFRSKU-WSRJKRBPSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)C2 ZINC001552996211 1268574162 /nfs/dbraw/zinc/57/41/62/1268574162.db2.gz GGPCYSCWHFRSKU-WSRJKRBPSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001552996211 1268574167 /nfs/dbraw/zinc/57/41/67/1268574167.db2.gz GGPCYSCWHFRSKU-WSRJKRBPSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000766 1268576895 /nfs/dbraw/zinc/57/68/95/1268576895.db2.gz FGGFFNVSPBKSGQ-KYJUOOMLSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000766 1268576900 /nfs/dbraw/zinc/57/69/00/1268576900.db2.gz FGGFFNVSPBKSGQ-KYJUOOMLSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@@H](O)C2 ZINC001553000766 1268576904 /nfs/dbraw/zinc/57/69/04/1268576904.db2.gz FGGFFNVSPBKSGQ-KYJUOOMLSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@@H](O)C2 ZINC001553000766 1268576909 /nfs/dbraw/zinc/57/69/09/1268576909.db2.gz FGGFFNVSPBKSGQ-KYJUOOMLSA-N 2 1 368.522 0.484 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384765 1268640315 /nfs/dbraw/zinc/64/03/15/1268640315.db2.gz CINPSWLOMHPGGL-UZLBHIALSA-N 2 1 374.460 0.651 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384765 1268640323 /nfs/dbraw/zinc/64/03/23/1268640323.db2.gz CINPSWLOMHPGGL-UZLBHIALSA-N 2 1 374.460 0.651 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384751 1268640526 /nfs/dbraw/zinc/64/05/26/1268640526.db2.gz CINPSWLOMHPGGL-JXFKEZNVSA-N 2 1 374.460 0.651 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384751 1268640531 /nfs/dbraw/zinc/64/05/31/1268640531.db2.gz CINPSWLOMHPGGL-JXFKEZNVSA-N 2 1 374.460 0.651 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378085 1268641219 /nfs/dbraw/zinc/64/12/19/1268641219.db2.gz JKEYYMGUVVOLDB-VQIMIIECSA-N 2 1 363.506 0.278 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378085 1268641226 /nfs/dbraw/zinc/64/12/26/1268641226.db2.gz JKEYYMGUVVOLDB-VQIMIIECSA-N 2 1 363.506 0.278 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553389037 1268641727 /nfs/dbraw/zinc/64/17/27/1268641727.db2.gz ICMGRXKNPSDPQB-YWZLYKJASA-N 2 1 370.453 0.815 20 0 FCADMP COCC(=O)Nc1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553397050 1268642937 /nfs/dbraw/zinc/64/29/37/1268642937.db2.gz YQBSYAXXBWPLRS-DNVCBOLYSA-N 2 1 360.458 0.429 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)c1 ZINC001553403753 1268645223 /nfs/dbraw/zinc/64/52/23/1268645223.db2.gz AZGAOZTXRVRQPZ-QZWWFDLISA-N 2 1 358.442 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)c1 ZINC001553403753 1268645229 /nfs/dbraw/zinc/64/52/29/1268645229.db2.gz AZGAOZTXRVRQPZ-QZWWFDLISA-N 2 1 358.442 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)c1 ZINC001553403750 1268645838 /nfs/dbraw/zinc/64/58/38/1268645838.db2.gz AZGAOZTXRVRQPZ-QAETUUGQSA-N 2 1 358.442 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)c1 ZINC001553403750 1268645842 /nfs/dbraw/zinc/64/58/42/1268645842.db2.gz AZGAOZTXRVRQPZ-QAETUUGQSA-N 2 1 358.442 0.594 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415280 1268646659 /nfs/dbraw/zinc/64/66/59/1268646659.db2.gz SOGFPNUMMNAEHP-WKULXVSPSA-N 2 1 350.507 0.523 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553415572 1268647115 /nfs/dbraw/zinc/64/71/15/1268647115.db2.gz YXJGZQXVMLUFJU-FHWLQOOXSA-N 2 1 358.486 0.786 20 0 FCADMP Cn1cnc([C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])c1 ZINC001553426756 1268649244 /nfs/dbraw/zinc/64/92/44/1268649244.db2.gz MODWYFRFPDLLSS-ZWKOTPCHSA-N 2 1 368.485 0.915 20 0 FCADMP Cn1cnc([C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])c1 ZINC001553426753 1268649277 /nfs/dbraw/zinc/64/92/77/1268649277.db2.gz MODWYFRFPDLLSS-ROUUACIJSA-N 2 1 368.485 0.915 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CC1(C)C ZINC001553482655 1268658344 /nfs/dbraw/zinc/65/83/44/1268658344.db2.gz VBLQBZSAFJLHTB-OAHLLOKOSA-N 2 1 353.511 0.080 20 0 FCADMP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001553503109 1268659542 /nfs/dbraw/zinc/65/95/42/1268659542.db2.gz MRIGJKGSAVAEJJ-ZJPYXAASSA-N 2 1 366.506 0.384 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001553825780 1268719752 /nfs/dbraw/zinc/71/97/52/1268719752.db2.gz AKUWCGFMYINRJH-HOTGVXAUSA-N 2 1 352.402 0.486 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001341335114 1268941803 /nfs/dbraw/zinc/94/18/03/1268941803.db2.gz SQFGUTWHVDOEHI-BRWVUGGUSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001341335114 1268941807 /nfs/dbraw/zinc/94/18/07/1268941807.db2.gz SQFGUTWHVDOEHI-BRWVUGGUSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001341335114 1268941812 /nfs/dbraw/zinc/94/18/12/1268941812.db2.gz SQFGUTWHVDOEHI-BRWVUGGUSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001341335116 1268941905 /nfs/dbraw/zinc/94/19/05/1268941905.db2.gz SQFGUTWHVDOEHI-GVDBMIGSSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001341335116 1268941907 /nfs/dbraw/zinc/94/19/07/1268941907.db2.gz SQFGUTWHVDOEHI-GVDBMIGSSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001341335116 1268941913 /nfs/dbraw/zinc/94/19/13/1268941913.db2.gz SQFGUTWHVDOEHI-GVDBMIGSSA-N 3 1 367.538 0.292 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C1)CC2 ZINC001341731696 1269175078 /nfs/dbraw/zinc/17/50/78/1269175078.db2.gz BINIEHAYAYYBCV-LZLYRXPVSA-N 2 1 373.501 0.861 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)o1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001341750019 1269184618 /nfs/dbraw/zinc/18/46/18/1269184618.db2.gz DKRIOCVDQVGKTG-AWEZNQCLSA-N 2 1 361.446 0.178 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CCOC)CC1 ZINC001342854962 1269645906 /nfs/dbraw/zinc/64/59/06/1269645906.db2.gz OTCXTCZISXYAOK-KGLIPLIRSA-N 2 1 366.466 0.330 20 0 FCADMP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001566698002 1269657916 /nfs/dbraw/zinc/65/79/16/1269657916.db2.gz WCYSPTKLTXJUMJ-UKRRQHHQSA-N 2 1 367.494 0.225 20 0 FCADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001566698002 1269657923 /nfs/dbraw/zinc/65/79/23/1269657923.db2.gz WCYSPTKLTXJUMJ-UKRRQHHQSA-N 2 1 367.494 0.225 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001567035921 1269675487 /nfs/dbraw/zinc/67/54/87/1269675487.db2.gz LARIHNYVAUCBGV-FUHWJXTLSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342935841 1269687670 /nfs/dbraw/zinc/68/76/70/1269687670.db2.gz GGCIFKPMAQFQOR-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001342940380 1269691140 /nfs/dbraw/zinc/69/11/40/1269691140.db2.gz UGEGTYBTIOLCTC-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001342940380 1269691151 /nfs/dbraw/zinc/69/11/51/1269691151.db2.gz UGEGTYBTIOLCTC-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001342940380 1269691162 /nfs/dbraw/zinc/69/11/62/1269691162.db2.gz UGEGTYBTIOLCTC-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001569470580 1269786728 /nfs/dbraw/zinc/78/67/28/1269786728.db2.gz ZXZUESAWTGUUIB-HNNXBMFYSA-N 2 1 360.462 0.799 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001569470580 1269786739 /nfs/dbraw/zinc/78/67/39/1269786739.db2.gz ZXZUESAWTGUUIB-HNNXBMFYSA-N 2 1 360.462 0.799 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O)C1CCC1 ZINC001343477737 1269920983 /nfs/dbraw/zinc/92/09/83/1269920983.db2.gz XCKPXJXBGQKZCE-CVEARBPZSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)CC(C)(C)C ZINC001343477737 1269920990 /nfs/dbraw/zinc/92/09/90/1269920990.db2.gz XCKPXJXBGQKZCE-CVEARBPZSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)CC(C)(C)C ZINC001343477737 1269920992 /nfs/dbraw/zinc/92/09/92/1269920992.db2.gz XCKPXJXBGQKZCE-CVEARBPZSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)(C[NH3+])CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001343525508 1269936398 /nfs/dbraw/zinc/93/63/98/1269936398.db2.gz LYLCQAXKMKAHBS-UHFFFAOYSA-N 2 1 368.522 0.439 20 0 FCADMP O=C(N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580581630 1278521210 /nfs/dbraw/zinc/52/12/10/1278521210.db2.gz NRMDBWGXJUECFZ-MRXNPFEDSA-N 2 1 351.491 0.329 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001343673386 1269979801 /nfs/dbraw/zinc/97/98/01/1269979801.db2.gz DODPGQJKYNHYQM-CVEARBPZSA-N 2 1 365.478 0.001 20 0 FCADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001571959526 1269984973 /nfs/dbraw/zinc/98/49/73/1269984973.db2.gz JQYNYSICIOUNGZ-IIAWOOMASA-N 2 1 350.507 0.632 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001344292133 1270134932 /nfs/dbraw/zinc/13/49/32/1270134932.db2.gz XVBBPSWOEKJTEA-BBWFWOEESA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001572828454 1270207589 /nfs/dbraw/zinc/20/75/89/1270207589.db2.gz GIFZFVBNPTWAHV-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001572828454 1270207597 /nfs/dbraw/zinc/20/75/97/1270207597.db2.gz GIFZFVBNPTWAHV-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001572828454 1270207603 /nfs/dbraw/zinc/20/76/03/1270207603.db2.gz GIFZFVBNPTWAHV-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001572960770 1270413905 /nfs/dbraw/zinc/41/39/05/1270413905.db2.gz WYBVMYXFQYFLNQ-OWCLPIDISA-N 2 1 370.538 0.647 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001580607559 1278567059 /nfs/dbraw/zinc/56/70/59/1278567059.db2.gz QWNZCOVWTZNKJE-JENIJYKNSA-N 2 1 350.507 0.431 20 0 FCADMP CCc1nnc(N2CC[NH2+]CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001573839985 1270901407 /nfs/dbraw/zinc/90/14/07/1270901407.db2.gz IVUCGQWYTFJLHD-OAHLLOKOSA-N 2 1 363.510 0.193 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028272 1271009590 /nfs/dbraw/zinc/00/95/90/1271009590.db2.gz PMFAAWLNKWZCGR-SWLSCSKDSA-N 2 1 358.450 0.188 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251496 1271119396 /nfs/dbraw/zinc/11/93/96/1271119396.db2.gz GETLNHWJVHEFCP-SFHVURJKSA-N 2 1 372.477 0.674 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574251524 1271119882 /nfs/dbraw/zinc/11/98/82/1271119882.db2.gz GVKFEVGLFCDHSX-OLZOCXBDSA-N 2 1 358.450 0.425 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595134 1271393595 /nfs/dbraw/zinc/39/35/95/1271393595.db2.gz DRMBOBVBMHQBMG-HIFRSBDPSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870886 1271621320 /nfs/dbraw/zinc/62/13/20/1271621320.db2.gz DYDRXZPWFUYXAM-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876313 1271634753 /nfs/dbraw/zinc/63/47/53/1271634753.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876313 1271634763 /nfs/dbraw/zinc/63/47/63/1271634763.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876313 1271634774 /nfs/dbraw/zinc/63/47/74/1271634774.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877496 1271639651 /nfs/dbraw/zinc/63/96/51/1271639651.db2.gz SGLICDYCEWUKKV-XJKSGUPXSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877496 1271639659 /nfs/dbraw/zinc/63/96/59/1271639659.db2.gz SGLICDYCEWUKKV-XJKSGUPXSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877496 1271639666 /nfs/dbraw/zinc/63/96/66/1271639666.db2.gz SGLICDYCEWUKKV-XJKSGUPXSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195718 1271780463 /nfs/dbraw/zinc/78/04/63/1271780463.db2.gz MMNWTLIHFUOLLO-QAPCUYQASA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](O)C2CC[NH2+]CC2)C1 ZINC001575214484 1271795187 /nfs/dbraw/zinc/79/51/87/1271795187.db2.gz UXFBJZFKJUCKMM-CRAIPNDOSA-N 2 1 357.495 0.699 20 0 FCADMP CC(C)Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH3+] ZINC001575655072 1272266938 /nfs/dbraw/zinc/26/69/38/1272266938.db2.gz TWCRASZPRJIZEZ-JKSUJKDBSA-N 2 1 350.511 0.982 20 0 FCADMP CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C[NH3+])C1 ZINC001575682701 1272294814 /nfs/dbraw/zinc/29/48/14/1272294814.db2.gz ULECIBPQAOTBRS-HNNXBMFYSA-N 2 1 362.482 0.183 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2([NH3+])COC2)CC1 ZINC001575698952 1272321615 /nfs/dbraw/zinc/32/16/15/1272321615.db2.gz AGDCTJIBZICBMV-OAHLLOKOSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[NH2+]C1 ZINC001575915539 1272559399 /nfs/dbraw/zinc/55/93/99/1272559399.db2.gz SAEGTZQLHYZMEK-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989786 1272651821 /nfs/dbraw/zinc/65/18/21/1272651821.db2.gz CJGWVDUHHYYXJX-KFWWJZLASA-N 2 1 363.510 0.684 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007169 1272691918 /nfs/dbraw/zinc/69/19/18/1272691918.db2.gz ZRDQWBFXZQRMNA-KGLIPLIRSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007169 1272691920 /nfs/dbraw/zinc/69/19/20/1272691920.db2.gz ZRDQWBFXZQRMNA-KGLIPLIRSA-N 2 1 355.508 0.432 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001576254734 1273036598 /nfs/dbraw/zinc/03/65/98/1273036598.db2.gz FAYGTZQGAPOZGW-ZIAGYGMSSA-N 2 1 372.477 0.530 20 0 FCADMP CC1(C)COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576484284 1273329492 /nfs/dbraw/zinc/32/94/92/1273329492.db2.gz QXVZCGILRPOMET-OAHLLOKOSA-N 2 1 371.489 0.988 20 0 FCADMP CC1(C)COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576484284 1273329497 /nfs/dbraw/zinc/32/94/97/1273329497.db2.gz QXVZCGILRPOMET-OAHLLOKOSA-N 2 1 371.489 0.988 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576586493 1273466248 /nfs/dbraw/zinc/46/62/48/1273466248.db2.gz QSEMCCYJYPMCET-BFYDXBDKSA-N 2 1 364.494 0.142 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576586493 1273466254 /nfs/dbraw/zinc/46/62/54/1273466254.db2.gz QSEMCCYJYPMCET-BFYDXBDKSA-N 2 1 364.494 0.142 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576586493 1273466256 /nfs/dbraw/zinc/46/62/56/1273466256.db2.gz QSEMCCYJYPMCET-BFYDXBDKSA-N 2 1 364.494 0.142 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576587157 1273467612 /nfs/dbraw/zinc/46/76/12/1273467612.db2.gz WJUAOQGVNUPCPB-DJIMGWMZSA-N 2 1 366.510 0.387 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]CCc2c[nH]nn2)cn1 ZINC001576750198 1273619486 /nfs/dbraw/zinc/61/94/86/1273619486.db2.gz OCHGAXYBMIDDMZ-QGZVFWFLSA-N 2 1 374.493 0.390 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748491 1273620302 /nfs/dbraw/zinc/62/03/02/1273620302.db2.gz XUBFTSPRQHBVFC-XLMAVXFVSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748491 1273620307 /nfs/dbraw/zinc/62/03/07/1273620307.db2.gz XUBFTSPRQHBVFC-XLMAVXFVSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748491 1273620318 /nfs/dbraw/zinc/62/03/18/1273620318.db2.gz XUBFTSPRQHBVFC-XLMAVXFVSA-N 2 1 360.506 0.858 20 0 FCADMP C[C@H]1CN(C(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC[N@H+]1CC(C)(C)O ZINC001576760017 1273634010 /nfs/dbraw/zinc/63/40/10/1273634010.db2.gz IBXNVUGNWKOXRR-HNAYVOBHSA-N 2 1 353.507 0.575 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789381 1273683387 /nfs/dbraw/zinc/68/33/87/1273683387.db2.gz GENLPVQZHQIVER-HOTGVXAUSA-N 2 1 357.462 0.945 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796661 1273699231 /nfs/dbraw/zinc/69/92/31/1273699231.db2.gz QKESXUUJVSGEIE-CHWSQXEVSA-N 2 1 358.450 0.250 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796304 1273699563 /nfs/dbraw/zinc/69/95/63/1273699563.db2.gz OEGGUSZIVZCQJX-HZPDHXFCSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796304 1273699572 /nfs/dbraw/zinc/69/95/72/1273699572.db2.gz OEGGUSZIVZCQJX-HZPDHXFCSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576827607 1273753265 /nfs/dbraw/zinc/75/32/65/1273753265.db2.gz SCJWGBALEVOSKG-INMHGKMJSA-N 2 1 371.489 0.844 20 0 FCADMP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001577090563 1274148989 /nfs/dbraw/zinc/14/89/89/1274148989.db2.gz STEQRZUPZWITBC-LSDHHAIUSA-N 2 1 350.467 0.121 20 0 FCADMP CC[C@@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577131923 1274182400 /nfs/dbraw/zinc/18/24/00/1274182400.db2.gz SNRAYSXTNJBFEP-HZPDHXFCSA-N 2 1 357.462 0.598 20 0 FCADMP CC[C@@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577131923 1274182405 /nfs/dbraw/zinc/18/24/05/1274182405.db2.gz SNRAYSXTNJBFEP-HZPDHXFCSA-N 2 1 357.462 0.598 20 0 FCADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001577445467 1274410811 /nfs/dbraw/zinc/41/08/11/1274410811.db2.gz UTEVADRWUXPEAT-CABCVRRESA-N 2 1 363.510 0.746 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C[C@H]([NH3+])C[C@@]2(C(=O)OC)C1 ZINC001577536381 1274478703 /nfs/dbraw/zinc/47/87/03/1274478703.db2.gz VNHGTAMAVJGUBZ-LDDOYCOJSA-N 2 1 352.479 0.783 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CC[C@@H]2COC(C)(C)[NH2+]2)CC1 ZINC001577542164 1274482035 /nfs/dbraw/zinc/48/20/35/1274482035.db2.gz OGIZPOURFQSSFO-OAHLLOKOSA-N 2 1 354.495 0.598 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550368 1274489405 /nfs/dbraw/zinc/48/94/05/1274489405.db2.gz DVHUHJSXCVADMY-STQMWFEESA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558556 1274504443 /nfs/dbraw/zinc/50/44/43/1274504443.db2.gz KVBFTKXXRVATKW-SFHVURJKSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577560878 1274510123 /nfs/dbraw/zinc/51/01/23/1274510123.db2.gz KEJPSAIIPUYVSQ-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562867 1274513794 /nfs/dbraw/zinc/51/37/94/1274513794.db2.gz HUXLCCPXUOTUJG-CQSZACIVSA-N 2 1 372.477 0.854 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568156 1274526944 /nfs/dbraw/zinc/52/69/44/1274526944.db2.gz MILBSXFWVFQTHN-ZDUSSCGKSA-N 2 1 360.466 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573984 1274538283 /nfs/dbraw/zinc/53/82/83/1274538283.db2.gz JKODRGMXAFNGOU-UHFFFAOYSA-N 2 1 372.477 0.722 20 0 FCADMP CCN(C)C(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001577654339 1274657580 /nfs/dbraw/zinc/65/75/80/1274657580.db2.gz ANCBFRXARIEUGV-CABCVRRESA-N 2 1 363.510 0.711 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667532 1274689158 /nfs/dbraw/zinc/68/91/58/1274689158.db2.gz DWJDUSWDHZKDSX-BBRMVZONSA-N 2 1 372.477 0.817 20 0 FCADMP CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH2+]C)C[C@@H]1C ZINC001577782084 1274877074 /nfs/dbraw/zinc/87/70/74/1274877074.db2.gz UNQLWOBATJBAOX-HNNXBMFYSA-N 2 1 363.510 0.540 20 0 FCADMP CC[NH2+]C1CCN(c2nnc(COCC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001577827370 1274938917 /nfs/dbraw/zinc/93/89/17/1274938917.db2.gz HQYHYMZYAIOSLU-GOSISDBHSA-N 2 1 366.510 0.460 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859283 1275020229 /nfs/dbraw/zinc/02/02/29/1275020229.db2.gz APUQXPUBJUKKFG-GFCCVEGCSA-N 2 1 360.466 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859908 1275022231 /nfs/dbraw/zinc/02/22/31/1275022231.db2.gz PRNFILGGGLTARU-CYBMUJFWSA-N 2 1 360.466 0.853 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860703 1275025799 /nfs/dbraw/zinc/02/57/99/1275025799.db2.gz ZLPFEMFHYYXSOR-MRXNPFEDSA-N 2 1 372.477 0.641 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862411 1275027443 /nfs/dbraw/zinc/02/74/43/1275027443.db2.gz BCLFAKFSJLCHNL-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862411 1275027445 /nfs/dbraw/zinc/02/74/45/1275027445.db2.gz BCLFAKFSJLCHNL-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577862648 1275030095 /nfs/dbraw/zinc/03/00/95/1275030095.db2.gz HOHBLJNHXBSEIK-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577862919 1275033470 /nfs/dbraw/zinc/03/34/70/1275033470.db2.gz NEGMGXCGAMQTRL-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863504 1275037205 /nfs/dbraw/zinc/03/72/05/1275037205.db2.gz WWJXSQWPWVFAKP-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863504 1275037211 /nfs/dbraw/zinc/03/72/11/1275037211.db2.gz WWJXSQWPWVFAKP-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863504 1275037216 /nfs/dbraw/zinc/03/72/16/1275037216.db2.gz WWJXSQWPWVFAKP-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577869493 1275056814 /nfs/dbraw/zinc/05/68/14/1275056814.db2.gz FJDXEJVFXZBOEV-IUODEOHRSA-N 2 1 372.477 0.853 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577871184 1275061546 /nfs/dbraw/zinc/06/15/46/1275061546.db2.gz BAYZYMXGSBHPFT-INWMFGNUSA-N 2 1 370.461 0.829 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577871184 1275061552 /nfs/dbraw/zinc/06/15/52/1275061552.db2.gz BAYZYMXGSBHPFT-INWMFGNUSA-N 2 1 370.461 0.829 20 0 FCADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577976375 1275202637 /nfs/dbraw/zinc/20/26/37/1275202637.db2.gz SKDOCOXVIDAQSN-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577976375 1275202643 /nfs/dbraw/zinc/20/26/43/1275202643.db2.gz SKDOCOXVIDAQSN-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001578109931 1275412239 /nfs/dbraw/zinc/41/22/39/1275412239.db2.gz NHWUNDFAVVLHSH-OAHLLOKOSA-N 2 1 358.450 0.347 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)C[NH3+])CC1 ZINC001578115178 1275416365 /nfs/dbraw/zinc/41/63/65/1275416365.db2.gz ASINTBAJGYKURB-HOTGVXAUSA-N 2 1 366.510 0.535 20 0 FCADMP CCOCc1nnc(N2CC[C@@H](C[NH3+])C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578132778 1275431089 /nfs/dbraw/zinc/43/10/89/1275431089.db2.gz VKUOWJSEWLTIKZ-HNNXBMFYSA-N 2 1 366.510 0.710 20 0 FCADMP CCOCc1nnc(N2CC[C@@H](C[NH3+])C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578132778 1275431090 /nfs/dbraw/zinc/43/10/90/1275431090.db2.gz VKUOWJSEWLTIKZ-HNNXBMFYSA-N 2 1 366.510 0.710 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001578141939 1275439958 /nfs/dbraw/zinc/43/99/58/1275439958.db2.gz GTBXFUYMACCKNJ-JKSUJKDBSA-N 2 1 366.510 0.581 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001578141938 1275440418 /nfs/dbraw/zinc/44/04/18/1275440418.db2.gz GTBXFUYMACCKNJ-HZPDHXFCSA-N 2 1 366.510 0.581 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223886 1275523357 /nfs/dbraw/zinc/52/33/57/1275523357.db2.gz GNQBMPHVCZCYAW-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223886 1275523360 /nfs/dbraw/zinc/52/33/60/1275523360.db2.gz GNQBMPHVCZCYAW-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[N@@H+](C)CCC[NH3+] ZINC001578304926 1275639372 /nfs/dbraw/zinc/63/93/72/1275639372.db2.gz FRSXOUXEHYTSJL-CQSZACIVSA-N 2 1 351.499 0.178 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001578324783 1275670785 /nfs/dbraw/zinc/67/07/85/1275670785.db2.gz YZPLQNRPNBISMR-HZPDHXFCSA-N 2 1 350.511 0.995 20 0 FCADMP CN(Cc1ccoc1)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578526047 1275960276 /nfs/dbraw/zinc/96/02/76/1275960276.db2.gz YDACHNSUHDUVLG-YJBOKZPZSA-N 2 1 360.462 0.999 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529660 1275961017 /nfs/dbraw/zinc/96/10/17/1275961017.db2.gz WXJRTFUKHRZWRR-LSDHHAIUSA-N 2 1 351.495 0.323 20 0 FCADMP C[N@H+]1C[C@@H](CNC(=O)N[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578543500 1275970190 /nfs/dbraw/zinc/97/01/90/1275970190.db2.gz XDFAAVYRUHNIBY-NUJGCVRESA-N 2 1 371.485 0.204 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc(C)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001578668928 1276122643 /nfs/dbraw/zinc/12/26/43/1276122643.db2.gz GHNNHGWQVQLPQE-SFHVURJKSA-N 2 1 363.554 0.906 20 0 FCADMP C[NH2+]CCn1c(C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001578721831 1276195008 /nfs/dbraw/zinc/19/50/08/1276195008.db2.gz UKBJVCXUFZIIRB-QGZVFWFLSA-N 2 1 365.526 0.037 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC001578843439 1276364101 /nfs/dbraw/zinc/36/41/01/1276364101.db2.gz UBVVEYUYSJRILH-LAIHZFQQSA-N 2 1 364.490 0.925 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC001578855157 1276377731 /nfs/dbraw/zinc/37/77/31/1276377731.db2.gz BIEFCMDCMQFPAT-GXTWGEPZSA-N 2 1 350.419 0.541 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC001578855157 1276377736 /nfs/dbraw/zinc/37/77/36/1276377736.db2.gz BIEFCMDCMQFPAT-GXTWGEPZSA-N 2 1 350.419 0.541 20 0 FCADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578877886 1276407174 /nfs/dbraw/zinc/40/71/74/1276407174.db2.gz CKEGKYSOXXAEQU-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001578970847 1276514701 /nfs/dbraw/zinc/51/47/01/1276514701.db2.gz LLPAEQPZARGDQL-CYBMUJFWSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578974941 1276524826 /nfs/dbraw/zinc/52/48/26/1276524826.db2.gz XZPJZFZZFLXANH-LBPRGKRZSA-N 2 1 363.491 0.913 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578975742 1276525929 /nfs/dbraw/zinc/52/59/29/1276525929.db2.gz GIBAUZDAVABEDE-GOSISDBHSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578977799 1276534313 /nfs/dbraw/zinc/53/43/13/1276534313.db2.gz ABKNULDPWHQPSO-CYBMUJFWSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578977799 1276534319 /nfs/dbraw/zinc/53/43/19/1276534319.db2.gz ABKNULDPWHQPSO-CYBMUJFWSA-N 2 1 361.425 0.648 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001578977672 1276534701 /nfs/dbraw/zinc/53/47/01/1276534701.db2.gz URTCRAITBAVZAD-CYBMUJFWSA-N 2 1 358.450 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578978461 1276536214 /nfs/dbraw/zinc/53/62/14/1276536214.db2.gz JCYHHPSXGWKGCR-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578981198 1276542141 /nfs/dbraw/zinc/54/21/41/1276542141.db2.gz SXYWJFSPBFNCLU-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578983678 1276549680 /nfs/dbraw/zinc/54/96/80/1276549680.db2.gz NOHODMRBHCHHAF-STQMWFEESA-N 2 1 356.434 0.393 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578984217 1276550164 /nfs/dbraw/zinc/55/01/64/1276550164.db2.gz WYOHUSQEPAWDKJ-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578984217 1276550165 /nfs/dbraw/zinc/55/01/65/1276550165.db2.gz WYOHUSQEPAWDKJ-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578987378 1276557199 /nfs/dbraw/zinc/55/71/99/1276557199.db2.gz BIQZHFHEYJEWAI-KYOSRNDESA-N 2 1 356.434 0.439 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH2+]CC1 ZINC001579014125 1276588571 /nfs/dbraw/zinc/58/85/71/1276588571.db2.gz JHGXFQSJSPIYSN-INIZCTEOSA-N 2 1 366.510 0.898 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001579014924 1276589621 /nfs/dbraw/zinc/58/96/21/1276589621.db2.gz ULBIZNRIUYOKDQ-XHSDSOJGSA-N 2 1 366.510 0.534 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579022073 1276598971 /nfs/dbraw/zinc/59/89/71/1276598971.db2.gz RMFZUADFVOZHSZ-CQSZACIVSA-N 2 1 362.482 0.055 20 0 FCADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001579164786 1276915957 /nfs/dbraw/zinc/91/59/57/1276915957.db2.gz LWCQAAGIIWSWBJ-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168720 1276921540 /nfs/dbraw/zinc/92/15/40/1276921540.db2.gz IVJQJPZLXPKQPY-BBRMVZONSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579261406 1277058596 /nfs/dbraw/zinc/05/85/96/1277058596.db2.gz PZVXVWHRDDVGSZ-NVXWUHKLSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579261406 1277058597 /nfs/dbraw/zinc/05/85/97/1277058597.db2.gz PZVXVWHRDDVGSZ-NVXWUHKLSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579261406 1277058601 /nfs/dbraw/zinc/05/86/01/1277058601.db2.gz PZVXVWHRDDVGSZ-NVXWUHKLSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325157 1277142662 /nfs/dbraw/zinc/14/26/62/1277142662.db2.gz AZPFCQAVPGZKEK-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326261 1277148569 /nfs/dbraw/zinc/14/85/69/1277148569.db2.gz NTFSLPQSDNEQDN-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326261 1277148571 /nfs/dbraw/zinc/14/85/71/1277148571.db2.gz NTFSLPQSDNEQDN-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326261 1277148572 /nfs/dbraw/zinc/14/85/72/1277148572.db2.gz NTFSLPQSDNEQDN-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326481 1277148818 /nfs/dbraw/zinc/14/88/18/1277148818.db2.gz JYFQMSSUVNBOSH-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326578 1277149543 /nfs/dbraw/zinc/14/95/43/1277149543.db2.gz PQIAQFMQWUTYBD-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326578 1277149547 /nfs/dbraw/zinc/14/95/47/1277149547.db2.gz PQIAQFMQWUTYBD-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326578 1277149549 /nfs/dbraw/zinc/14/95/49/1277149549.db2.gz PQIAQFMQWUTYBD-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325962 1277150216 /nfs/dbraw/zinc/15/02/16/1277150216.db2.gz LTLLEUWMUUMSQI-UONOGXRCSA-N 2 1 370.461 0.286 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327426 1277154450 /nfs/dbraw/zinc/15/44/50/1277154450.db2.gz SLJMWVGWLLWYJG-OLZOCXBDSA-N 2 1 356.434 0.251 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327426 1277154452 /nfs/dbraw/zinc/15/44/52/1277154452.db2.gz SLJMWVGWLLWYJG-OLZOCXBDSA-N 2 1 356.434 0.251 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001579327555 1277154763 /nfs/dbraw/zinc/15/47/63/1277154763.db2.gz VEKOFQREBHLNGO-CQSZACIVSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327519 1277155456 /nfs/dbraw/zinc/15/54/56/1277155456.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327519 1277155458 /nfs/dbraw/zinc/15/54/58/1277155458.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327519 1277155460 /nfs/dbraw/zinc/15/54/60/1277155460.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327336 1277155819 /nfs/dbraw/zinc/15/58/19/1277155819.db2.gz QWXOBELQOJGMQR-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331252 1277160074 /nfs/dbraw/zinc/16/00/74/1277160074.db2.gz AADPTJWBEUMQSD-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331252 1277160076 /nfs/dbraw/zinc/16/00/76/1277160076.db2.gz AADPTJWBEUMQSD-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331252 1277160078 /nfs/dbraw/zinc/16/00/78/1277160078.db2.gz AADPTJWBEUMQSD-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331792 1277162089 /nfs/dbraw/zinc/16/20/89/1277162089.db2.gz FQWMVIYYTTVQIC-DLBZAZTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579335003 1277172869 /nfs/dbraw/zinc/17/28/69/1277172869.db2.gz LPCUBVPXNLNMMM-OAHLLOKOSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579335003 1277172872 /nfs/dbraw/zinc/17/28/72/1277172872.db2.gz LPCUBVPXNLNMMM-OAHLLOKOSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334943 1277172967 /nfs/dbraw/zinc/17/29/67/1277172967.db2.gz KEDNLBUHBGOXPG-ARWYELJZSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335166 1277173345 /nfs/dbraw/zinc/17/33/45/1277173345.db2.gz NLSOJRMLHURQSF-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335166 1277173347 /nfs/dbraw/zinc/17/33/47/1277173347.db2.gz NLSOJRMLHURQSF-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335166 1277173348 /nfs/dbraw/zinc/17/33/48/1277173348.db2.gz NLSOJRMLHURQSF-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335186 1277173396 /nfs/dbraw/zinc/17/33/96/1277173396.db2.gz NUKVMBHVJDDCTP-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335186 1277173398 /nfs/dbraw/zinc/17/33/98/1277173398.db2.gz NUKVMBHVJDDCTP-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335186 1277173400 /nfs/dbraw/zinc/17/34/00/1277173400.db2.gz NUKVMBHVJDDCTP-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335713 1277175642 /nfs/dbraw/zinc/17/56/42/1277175642.db2.gz UFHMQHVBGUIEFN-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335713 1277175643 /nfs/dbraw/zinc/17/56/43/1277175643.db2.gz UFHMQHVBGUIEFN-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335713 1277175646 /nfs/dbraw/zinc/17/56/46/1277175646.db2.gz UFHMQHVBGUIEFN-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339329 1277183369 /nfs/dbraw/zinc/18/33/69/1277183369.db2.gz FNKRZRBUMNBCFV-CYBMUJFWSA-N 2 1 358.450 0.498 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340047 1277185967 /nfs/dbraw/zinc/18/59/67/1277185967.db2.gz PMJKZSAUKJHMEO-SOUVJXGZSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344732 1277194652 /nfs/dbraw/zinc/19/46/52/1277194652.db2.gz RFNQRFIXWWPWGJ-CHWSQXEVSA-N 2 1 356.434 0.038 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579344755 1277196441 /nfs/dbraw/zinc/19/64/41/1277196441.db2.gz RMDZNGPSANQACK-AWEZNQCLSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579345238 1277196928 /nfs/dbraw/zinc/19/69/28/1277196928.db2.gz KFPSWJKUYRMSGW-HNNXBMFYSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579346906 1277199901 /nfs/dbraw/zinc/19/99/01/1277199901.db2.gz UIIMJWXHAKMLPP-CQSZACIVSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353886 1277216913 /nfs/dbraw/zinc/21/69/13/1277216913.db2.gz WBDYKPALEGOKDD-CJNGLKHVSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355049 1277217137 /nfs/dbraw/zinc/21/71/37/1277217137.db2.gz CHJFPPHTLDTMLQ-IRXDYDNUSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357009 1277225394 /nfs/dbraw/zinc/22/53/94/1277225394.db2.gz SJIOUQYVKAFXOS-GOEBONIOSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358910 1277229262 /nfs/dbraw/zinc/22/92/62/1277229262.db2.gz LOFPRACHNKMFRS-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358910 1277229263 /nfs/dbraw/zinc/22/92/63/1277229263.db2.gz LOFPRACHNKMFRS-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358910 1277229265 /nfs/dbraw/zinc/22/92/65/1277229265.db2.gz LOFPRACHNKMFRS-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579359092 1277231598 /nfs/dbraw/zinc/23/15/98/1277231598.db2.gz OGJSJRACOCEVHI-HNNXBMFYSA-N 2 1 355.446 0.699 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001579360451 1277236116 /nfs/dbraw/zinc/23/61/16/1277236116.db2.gz IXHMWPHOVOYQJN-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001579360451 1277236127 /nfs/dbraw/zinc/23/61/27/1277236127.db2.gz IXHMWPHOVOYQJN-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001579360451 1277236131 /nfs/dbraw/zinc/23/61/31/1277236131.db2.gz IXHMWPHOVOYQJN-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579369229 1277251941 /nfs/dbraw/zinc/25/19/41/1277251941.db2.gz VSGJXDBOOBXXEX-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001713557854 1287284373 /nfs/dbraw/zinc/28/43/73/1287284373.db2.gz YMXCKMMEWOFOPR-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCCCC2)C2CC2)CC[N@H+]1C ZINC001713557854 1287284375 /nfs/dbraw/zinc/28/43/75/1287284375.db2.gz YMXCKMMEWOFOPR-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)N2CCCCC2)C2CC2)CC[NH+]1C ZINC001713557854 1287284378 /nfs/dbraw/zinc/28/43/78/1287284378.db2.gz YMXCKMMEWOFOPR-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)N2CCCCC2)C2CC2)CC[NH+]1C ZINC001713557854 1287284380 /nfs/dbraw/zinc/28/43/80/1287284380.db2.gz YMXCKMMEWOFOPR-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@H](C)C[NH3+])o1 ZINC001579652902 1277720303 /nfs/dbraw/zinc/72/03/03/1277720303.db2.gz ITOKELGDFYPCSG-HIFRSBDPSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@H](C)C[NH3+])o1 ZINC001579652902 1277720305 /nfs/dbraw/zinc/72/03/05/1277720305.db2.gz ITOKELGDFYPCSG-HIFRSBDPSA-N 2 1 360.462 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3ccccc3)C2)CC[N@H+]1C ZINC001713949392 1287307445 /nfs/dbraw/zinc/30/74/45/1287307445.db2.gz OTNWVJHTADCCNJ-VDHUWJSZSA-N 2 1 358.486 0.880 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH3+])C1 ZINC001579883493 1277949446 /nfs/dbraw/zinc/94/94/46/1277949446.db2.gz VDYASDWRXNDRMD-CABCVRRESA-N 2 1 372.477 0.609 20 0 FCADMP Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910284 1277958567 /nfs/dbraw/zinc/95/85/67/1277958567.db2.gz HLEIMMJQNRJTPU-QGZVFWFLSA-N 2 1 365.482 0.288 20 0 FCADMP Cc1nnc(N2CC[C@H]([NH3+])C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001579911042 1277958935 /nfs/dbraw/zinc/95/89/35/1277958935.db2.gz DLKPRCVGXDGZOB-HOCLYGCPSA-N 2 1 352.508 0.332 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001579941229 1277972609 /nfs/dbraw/zinc/97/26/09/1277972609.db2.gz UXERFKBGZGQHMR-UHFFFAOYSA-N 2 1 373.461 0.375 20 0 FCADMP O=S(=O)(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001580869787 1279073324 /nfs/dbraw/zinc/07/33/24/1279073324.db2.gz IGKGWFXPSSFGNB-IAGOWNOFSA-N 2 1 353.488 0.425 20 0 FCADMP CC(C)[C@H](C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001603200470 1287328056 /nfs/dbraw/zinc/32/80/56/1287328056.db2.gz BOCVRGPGGAOAEM-MRXNPFEDSA-N 2 1 372.477 0.887 20 0 FCADMP Cc1cc(N(C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948930 1279155294 /nfs/dbraw/zinc/15/52/94/1279155294.db2.gz HBJMMMHCJKCEQM-KBPBESRZSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975866 1279176550 /nfs/dbraw/zinc/17/65/50/1279176550.db2.gz NLILCISQWHZKJW-OSAQELSMSA-N 2 1 370.461 0.463 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCC(F)(F)F ZINC001714654710 1287330008 /nfs/dbraw/zinc/33/00/08/1287330008.db2.gz WCDVJDLBCZFAML-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCC(F)(F)F ZINC001714654710 1287330010 /nfs/dbraw/zinc/33/00/10/1287330010.db2.gz WCDVJDLBCZFAML-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NCC(F)(F)F ZINC001714654710 1287330015 /nfs/dbraw/zinc/33/00/15/1287330015.db2.gz WCDVJDLBCZFAML-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NCC(F)(F)F ZINC001714654710 1287330018 /nfs/dbraw/zinc/33/00/18/1287330018.db2.gz WCDVJDLBCZFAML-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988987 1279188105 /nfs/dbraw/zinc/18/81/05/1279188105.db2.gz VBMJWNNGVIWKRU-YPMHNXCESA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996048 1279208035 /nfs/dbraw/zinc/20/80/35/1279208035.db2.gz UTWISCJJGUMQPQ-STQMWFEESA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013269 1279239497 /nfs/dbraw/zinc/23/94/97/1279239497.db2.gz LXIXQWUMGXFYQM-ZDUSSCGKSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013175 1279239848 /nfs/dbraw/zinc/23/98/48/1279239848.db2.gz JZUQEYZTUJLJFU-WFASDCNBSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023963 1279255181 /nfs/dbraw/zinc/25/51/81/1279255181.db2.gz XUDKDOTWSNDUEP-ZIAGYGMSSA-N 2 1 370.461 0.204 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026504 1279259481 /nfs/dbraw/zinc/25/94/81/1279259481.db2.gz LVXHFGYIMBDLNL-OLZOCXBDSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581035645 1279271569 /nfs/dbraw/zinc/27/15/69/1279271569.db2.gz PJRHEOZBCJGZBL-DOMZBBRYSA-N 2 1 356.434 0.099 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038925 1279276669 /nfs/dbraw/zinc/27/66/69/1279276669.db2.gz FTJHFZKVLAEBNJ-UBHSHLNASA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038924 1279276707 /nfs/dbraw/zinc/27/67/07/1279276707.db2.gz FTJHFZKVLAEBNJ-MRVWCRGKSA-N 2 1 370.461 0.393 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CCn3cccn3)CC2)CC[N@H+]1C ZINC001714887538 1287336996 /nfs/dbraw/zinc/33/69/96/1287336996.db2.gz UCOWUUZABWTJSJ-QZTJIDSGSA-N 2 1 362.522 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC3)CCCC2)CC[N@H+]1C ZINC001715300171 1287349170 /nfs/dbraw/zinc/34/91/70/1287349170.db2.gz UIHKZGWWLPHEQO-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)N(CCCNC(=O)CC[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603320524 1287354948 /nfs/dbraw/zinc/35/49/48/1287354948.db2.gz OBPPFGIGMXVHQE-UHFFFAOYSA-N 2 1 360.466 0.935 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581339555 1279722553 /nfs/dbraw/zinc/72/25/53/1279722553.db2.gz HEZLIWLJTVPIQB-UHFFFAOYSA-N 2 1 366.429 0.810 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581340861 1279724406 /nfs/dbraw/zinc/72/44/06/1279724406.db2.gz VXUPBZJPNPAOKM-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001603475186 1287383513 /nfs/dbraw/zinc/38/35/13/1287383513.db2.gz KWQHGPUGNKCWOA-MGPQQGTHSA-N 2 1 372.477 0.721 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582471870 1281595258 /nfs/dbraw/zinc/59/52/58/1281595258.db2.gz DXNJKHSUWYJPHY-OAHLLOKOSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582471870 1281595266 /nfs/dbraw/zinc/59/52/66/1281595266.db2.gz DXNJKHSUWYJPHY-OAHLLOKOSA-N 2 1 367.457 0.653 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001603905104 1287528317 /nfs/dbraw/zinc/52/83/17/1287528317.db2.gz FXNOAAJPGOXJNF-IHRRRGAJSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC001585013585 1282193388 /nfs/dbraw/zinc/19/33/88/1282193388.db2.gz XPDFQFYHIUFKBU-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198605 1287587370 /nfs/dbraw/zinc/58/73/70/1287587370.db2.gz OOSQNLPPEIXMOS-CHWSQXEVSA-N 2 1 360.466 0.721 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708858 1282952186 /nfs/dbraw/zinc/95/21/86/1282952186.db2.gz POOUJZJDFIMEQD-SUMWQHHRSA-N 2 1 369.473 0.900 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708858 1282952201 /nfs/dbraw/zinc/95/22/01/1282952201.db2.gz POOUJZJDFIMEQD-SUMWQHHRSA-N 2 1 369.473 0.900 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000739 1282988040 /nfs/dbraw/zinc/98/80/40/1282988040.db2.gz RBGVQOQHPDRXPC-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001642000739 1282988044 /nfs/dbraw/zinc/98/80/44/1282988044.db2.gz RBGVQOQHPDRXPC-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001642000739 1282988049 /nfs/dbraw/zinc/98/80/49/1282988049.db2.gz RBGVQOQHPDRXPC-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590113339 1283224905 /nfs/dbraw/zinc/22/49/05/1283224905.db2.gz QZKFMGKZPYIQRP-GJZGRUSLSA-N 2 1 355.446 0.558 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C[NH3+] ZINC001590192629 1283297361 /nfs/dbraw/zinc/29/73/61/1283297361.db2.gz VITMZUYAFKHUMV-VRKREXBASA-N 2 1 360.462 0.912 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590227094 1283358928 /nfs/dbraw/zinc/35/89/28/1283358928.db2.gz KKTIZFAOBBLQKR-OKILXGFUSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001590270639 1283395762 /nfs/dbraw/zinc/39/57/62/1283395762.db2.gz GFNRLVNEGWFRPV-GFCCVEGCSA-N 2 1 361.425 0.553 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590456668 1283549867 /nfs/dbraw/zinc/54/98/67/1283549867.db2.gz NTBJWLFZLNKCRC-MRXNPFEDSA-N 2 1 372.477 0.821 20 0 FCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678731 1283728545 /nfs/dbraw/zinc/72/85/45/1283728545.db2.gz ZPDCHQXICPWZTE-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678731 1283728552 /nfs/dbraw/zinc/72/85/52/1283728552.db2.gz ZPDCHQXICPWZTE-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678731 1283728565 /nfs/dbraw/zinc/72/85/65/1283728565.db2.gz ZPDCHQXICPWZTE-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678731 1283728575 /nfs/dbraw/zinc/72/85/75/1283728575.db2.gz ZPDCHQXICPWZTE-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001591084705 1284155983 /nfs/dbraw/zinc/15/59/83/1284155983.db2.gz ZMRTXKVRXLUCBN-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC001591116185 1284192046 /nfs/dbraw/zinc/19/20/46/1284192046.db2.gz OPHLKKJEERCMGI-KRWDZBQOSA-N 2 1 360.462 0.770 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001591174602 1284261196 /nfs/dbraw/zinc/26/11/96/1284261196.db2.gz YNWUTCFLXVOGJW-GOSISDBHSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175956 1284265567 /nfs/dbraw/zinc/26/55/67/1284265567.db2.gz ANOAGADLFRFCSH-GFCCVEGCSA-N 2 1 363.491 0.866 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591176535 1284272258 /nfs/dbraw/zinc/27/22/58/1284272258.db2.gz QMTAGNBTQACVSO-CYBMUJFWSA-N 2 1 361.425 0.553 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187366 1284298936 /nfs/dbraw/zinc/29/89/36/1284298936.db2.gz RJIFBSIHVQMAKY-APHBUQMISA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187315 1284299798 /nfs/dbraw/zinc/29/97/98/1284299798.db2.gz NCQSRDGGNGRSGY-KZSQQDEKSA-N 2 1 355.446 0.723 20 0 FCADMP C[NH2+]CC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591218609 1284355356 /nfs/dbraw/zinc/35/53/56/1284355356.db2.gz VWHFAMMAIVAFOO-MRXNPFEDSA-N 2 1 355.446 0.512 20 0 FCADMP COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1-c1nn[nH]n1 ZINC001591526476 1284712261 /nfs/dbraw/zinc/71/22/61/1284712261.db2.gz RWLWNQIDOWKDEV-CQSZACIVSA-N 2 1 373.461 0.695 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001591562262 1284735994 /nfs/dbraw/zinc/73/59/94/1284735994.db2.gz WTCVRTRNXSEGIK-CYBMUJFWSA-N 2 1 373.461 0.423 20 0 FCADMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC001591599543 1284761968 /nfs/dbraw/zinc/76/19/68/1284761968.db2.gz LVUXPTHRUIVGOI-OAHLLOKOSA-N 2 1 373.461 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C ZINC001591757574 1284884553 /nfs/dbraw/zinc/88/45/53/1284884553.db2.gz TYJVVZMLNUQYMM-DGCLKSJQSA-N 2 1 363.491 0.816 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996459 1285050749 /nfs/dbraw/zinc/05/07/49/1285050749.db2.gz NVFORVPREGUZQO-AWEZNQCLSA-N 2 1 358.450 0.607 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592054709 1285097083 /nfs/dbraw/zinc/09/70/83/1285097083.db2.gz FDVJTKQWGSFBCU-LYRGGWFBSA-N 2 1 370.461 0.345 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604849588 1287796892 /nfs/dbraw/zinc/79/68/92/1287796892.db2.gz MTBATWGYIOCXNL-HLSYRSCKSA-N 2 1 368.445 0.439 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604849588 1287796897 /nfs/dbraw/zinc/79/68/97/1287796897.db2.gz MTBATWGYIOCXNL-HLSYRSCKSA-N 2 1 368.445 0.439 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001702414919 1285657425 /nfs/dbraw/zinc/65/74/25/1285657425.db2.gz BUNWGSFYGXYFLD-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@@H]21 ZINC001592740924 1285659234 /nfs/dbraw/zinc/65/92/34/1285659234.db2.gz JPSLOCRUTXBMFW-XLNGHYISSA-N 2 1 367.457 0.639 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001592785892 1285711014 /nfs/dbraw/zinc/71/10/14/1285711014.db2.gz BAMKMJIEIQSCLL-QAPCUYQASA-N 2 1 353.430 0.266 20 0 FCADMP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511761 1286188575 /nfs/dbraw/zinc/18/85/75/1286188575.db2.gz KTHNXBDSWGMJGS-CQSZACIVSA-N 2 1 358.446 0.682 20 0 FCADMP CC[C@H](C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1)OC ZINC001707178203 1286492066 /nfs/dbraw/zinc/49/20/66/1286492066.db2.gz IISCOMBKECACFG-BPLDGKMQSA-N 2 1 365.478 0.653 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001710273143 1287169950 /nfs/dbraw/zinc/16/99/50/1287169950.db2.gz VELSYUVOEQPPKZ-GJZGRUSLSA-N 2 1 365.526 0.897 20 0 FCADMP Cc1cc(NC2(CNC(=O)C[N@H+](C)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721295 1288061394 /nfs/dbraw/zinc/06/13/94/1288061394.db2.gz UDVYLPITMNKLRE-UHFFFAOYSA-N 2 1 358.450 0.393 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC001606728742 1288471644 /nfs/dbraw/zinc/47/16/44/1288471644.db2.gz FYKVVCHCKFDZTI-JSGCOSHPSA-N 2 1 359.434 0.540 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC001606728742 1288471647 /nfs/dbraw/zinc/47/16/47/1288471647.db2.gz FYKVVCHCKFDZTI-JSGCOSHPSA-N 2 1 359.434 0.540 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@H]1CCS(=O)(=O)C1 ZINC001731802794 1288566587 /nfs/dbraw/zinc/56/65/87/1288566587.db2.gz BRUNGMPTZPCZTP-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC[C@H]1CCS(=O)(=O)C1 ZINC001731802794 1288566590 /nfs/dbraw/zinc/56/65/90/1288566590.db2.gz BRUNGMPTZPCZTP-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC[C@H]1CCS(=O)(=O)C1 ZINC001731802794 1288566593 /nfs/dbraw/zinc/56/65/93/1288566593.db2.gz BRUNGMPTZPCZTP-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC[C@H]3C)CC2)CC[N@H+]1C ZINC001733245902 1288604624 /nfs/dbraw/zinc/60/46/24/1288604624.db2.gz WBICKEPNZUXFFS-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001734268191 1288647220 /nfs/dbraw/zinc/64/72/20/1288647220.db2.gz HFXTWEWBVTVDFP-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCNC(=O)C3CC3)CC2)CC[NH+]1C ZINC001734268191 1288647223 /nfs/dbraw/zinc/64/72/23/1288647223.db2.gz HFXTWEWBVTVDFP-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCNC(=O)C3CC3)CC2)CC[NH+]1C ZINC001734268191 1288647227 /nfs/dbraw/zinc/64/72/27/1288647227.db2.gz HFXTWEWBVTVDFP-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104868 1288663544 /nfs/dbraw/zinc/66/35/44/1288663544.db2.gz RYGANCDULCIZQH-IRXDYDNUSA-N 2 1 360.462 0.727 20 0 FCADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609221051 1288994038 /nfs/dbraw/zinc/99/40/38/1288994038.db2.gz CYMZQCZALFWRIX-KRWDZBQOSA-N 2 1 359.478 0.297 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609221051 1288994039 /nfs/dbraw/zinc/99/40/39/1288994039.db2.gz CYMZQCZALFWRIX-KRWDZBQOSA-N 2 1 359.478 0.297 20 0 FCADMP C[C@H]([NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001691899318 1289336010 /nfs/dbraw/zinc/33/60/10/1289336010.db2.gz STUJDZHFJUJCFZ-IXDOHACOSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001691917384 1289341862 /nfs/dbraw/zinc/34/18/62/1289341862.db2.gz GTQHMDICAZEJKM-YESZJQIVSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC001691933897 1289344815 /nfs/dbraw/zinc/34/48/15/1289344815.db2.gz WFWIBKOQGGKKIK-IEBWSBKVSA-N 2 1 366.550 0.829 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691981596 1289358092 /nfs/dbraw/zinc/35/80/92/1289358092.db2.gz DFIHWDNQEHKGDS-HYVNUMGLSA-N 2 1 351.495 0.679 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001692267559 1289438992 /nfs/dbraw/zinc/43/89/92/1289438992.db2.gz OGQDQCZRLMVYFB-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001692267559 1289438997 /nfs/dbraw/zinc/43/89/97/1289438997.db2.gz OGQDQCZRLMVYFB-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001692267559 1289439001 /nfs/dbraw/zinc/43/90/01/1289439001.db2.gz OGQDQCZRLMVYFB-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)CC[N@H+]1C ZINC001737390583 1289540253 /nfs/dbraw/zinc/54/02/53/1289540253.db2.gz BECAOCHSQKPDGS-BMFZPTHFSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001699000359 1289543128 /nfs/dbraw/zinc/54/31/28/1289543128.db2.gz CQPYHWQBEWXSIL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001699000359 1289543133 /nfs/dbraw/zinc/54/31/33/1289543133.db2.gz CQPYHWQBEWXSIL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001699000359 1289543139 /nfs/dbraw/zinc/54/31/39/1289543139.db2.gz CQPYHWQBEWXSIL-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001699441427 1289555476 /nfs/dbraw/zinc/55/54/76/1289555476.db2.gz KYUHZMQDTBBHNT-BHYGNILZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001699441427 1289555479 /nfs/dbraw/zinc/55/54/79/1289555479.db2.gz KYUHZMQDTBBHNT-BHYGNILZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001699441427 1289555488 /nfs/dbraw/zinc/55/54/88/1289555488.db2.gz KYUHZMQDTBBHNT-BHYGNILZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001699441427 1289555495 /nfs/dbraw/zinc/55/54/95/1289555495.db2.gz KYUHZMQDTBBHNT-BHYGNILZSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001699876526 1289569040 /nfs/dbraw/zinc/56/90/40/1289569040.db2.gz ZSVNUJPHZIMRIR-BFYDXBDKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001699876526 1289569045 /nfs/dbraw/zinc/56/90/45/1289569045.db2.gz ZSVNUJPHZIMRIR-BFYDXBDKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001699876526 1289569054 /nfs/dbraw/zinc/56/90/54/1289569054.db2.gz ZSVNUJPHZIMRIR-BFYDXBDKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001699876526 1289569060 /nfs/dbraw/zinc/56/90/60/1289569060.db2.gz ZSVNUJPHZIMRIR-BFYDXBDKSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1nc(CC[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001699896640 1289570578 /nfs/dbraw/zinc/57/05/78/1289570578.db2.gz BMWWRSKDAIGMFN-MZMPZRCHSA-N 2 1 366.531 0.887 20 0 FCADMP Cc1nc(CC[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001699896640 1289570586 /nfs/dbraw/zinc/57/05/86/1289570586.db2.gz BMWWRSKDAIGMFN-MZMPZRCHSA-N 2 1 366.531 0.887 20 0 FCADMP Cc1nc(CC[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001699896640 1289570590 /nfs/dbraw/zinc/57/05/90/1289570590.db2.gz BMWWRSKDAIGMFN-MZMPZRCHSA-N 2 1 366.531 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001699897891 1289574513 /nfs/dbraw/zinc/57/45/13/1289574513.db2.gz KTMJPJYGGOVETD-SCTDSRPQSA-N 2 1 363.506 0.512 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cn(C)nc3C)C2)CC[NH+]1C ZINC001699897891 1289574516 /nfs/dbraw/zinc/57/45/16/1289574516.db2.gz KTMJPJYGGOVETD-SCTDSRPQSA-N 2 1 363.506 0.512 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cn(C)nc3C)C2)CC[NH+]1C ZINC001699897891 1289574521 /nfs/dbraw/zinc/57/45/21/1289574521.db2.gz KTMJPJYGGOVETD-SCTDSRPQSA-N 2 1 363.506 0.512 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]CC(=O)N(C)C)cc2F)CC[N@H+]1C ZINC001701066083 1289627005 /nfs/dbraw/zinc/62/70/05/1289627005.db2.gz RDSDIGMTABEQHN-CZUORRHYSA-N 2 1 364.465 0.960 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741840059 1290561991 /nfs/dbraw/zinc/56/19/91/1290561991.db2.gz FWPWZCSHNGRCKD-NVXWUHKLSA-N 2 1 371.489 0.811 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741840059 1290561998 /nfs/dbraw/zinc/56/19/98/1290561998.db2.gz FWPWZCSHNGRCKD-NVXWUHKLSA-N 2 1 371.489 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@H]3CCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001754980824 1290639154 /nfs/dbraw/zinc/63/91/54/1290639154.db2.gz SPRLJOFQPLSVKO-OWCLPIDISA-N 2 1 371.547 0.780 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC1=O ZINC001648051560 1291098613 /nfs/dbraw/zinc/09/86/13/1291098613.db2.gz ZQKJOCBBOPGMEE-FHWLQOOXSA-N 2 1 370.497 0.882 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434870 1291150676 /nfs/dbraw/zinc/15/06/76/1291150676.db2.gz ZAMLZKPDNCWTNP-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434870 1291150684 /nfs/dbraw/zinc/15/06/84/1291150684.db2.gz ZAMLZKPDNCWTNP-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434870 1291150688 /nfs/dbraw/zinc/15/06/88/1291150688.db2.gz ZAMLZKPDNCWTNP-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP CC[N@H+](Cc1cn(CC(N)=O)nn1)CC1CCN(c2ccccn2)CC1 ZINC001658445824 1291624370 /nfs/dbraw/zinc/62/43/70/1291624370.db2.gz YHIPSHXINUFWSE-UHFFFAOYSA-N 2 1 357.462 0.897 20 0 FCADMP CCN(Cc1cn(CC(N)=O)nn1)CC1CCN(c2ccccn2)CC1 ZINC001658445824 1291624377 /nfs/dbraw/zinc/62/43/77/1291624377.db2.gz YHIPSHXINUFWSE-UHFFFAOYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)Nc1nncs1 ZINC001666553023 1291914010 /nfs/dbraw/zinc/91/40/10/1291914010.db2.gz NDTLOYUTXLZTKA-QJPTWQEYSA-N 2 1 354.480 0.159 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956303 1292286150 /nfs/dbraw/zinc/28/61/50/1292286150.db2.gz AWPCDSVVEPITOK-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956303 1292286155 /nfs/dbraw/zinc/28/61/55/1292286155.db2.gz AWPCDSVVEPITOK-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956303 1292286160 /nfs/dbraw/zinc/28/61/60/1292286160.db2.gz AWPCDSVVEPITOK-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001688333363 1294480456 /nfs/dbraw/zinc/48/04/56/1294480456.db2.gz GGYALLIJPKIOLU-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001688333363 1294480458 /nfs/dbraw/zinc/48/04/58/1294480458.db2.gz GGYALLIJPKIOLU-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001688333363 1294480460 /nfs/dbraw/zinc/48/04/60/1294480460.db2.gz GGYALLIJPKIOLU-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001689031754 1294577013 /nfs/dbraw/zinc/57/70/13/1294577013.db2.gz CRDQJQFATBCIGA-NRSFXHEJSA-N 2 1 363.506 0.681 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001689034026 1294579362 /nfs/dbraw/zinc/57/93/62/1294579362.db2.gz IEMYIRQGKGLNIU-BPQIPLTHSA-N 2 1 363.506 0.682 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001689066861 1294589983 /nfs/dbraw/zinc/58/99/83/1294589983.db2.gz FYABQRDAWLRJIU-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001689184816 1294652780 /nfs/dbraw/zinc/65/27/80/1294652780.db2.gz TZMMKRDYENYSOP-UONOGXRCSA-N 2 1 355.483 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001689184816 1294652785 /nfs/dbraw/zinc/65/27/85/1294652785.db2.gz TZMMKRDYENYSOP-UONOGXRCSA-N 2 1 355.483 0.143 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001689453397 1294786853 /nfs/dbraw/zinc/78/68/53/1294786853.db2.gz YLYPZVHEIPQNLR-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC001689598477 1294806758 /nfs/dbraw/zinc/80/67/58/1294806758.db2.gz PNEITSRGXUPERF-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC001689598477 1294806773 /nfs/dbraw/zinc/80/67/73/1294806773.db2.gz PNEITSRGXUPERF-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001690337884 1294865549 /nfs/dbraw/zinc/86/55/49/1294865549.db2.gz CUMNJDYFSOMFEQ-APIJFGDWSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001690514841 1294870800 /nfs/dbraw/zinc/87/08/00/1294870800.db2.gz LUBSDCHNWQXTFG-HTPGKPQGSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]32)CC[N@H+]1C ZINC001690514841 1294870806 /nfs/dbraw/zinc/87/08/06/1294870806.db2.gz LUBSDCHNWQXTFG-HTPGKPQGSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]32)CC[NH+]1C ZINC001690514841 1294870816 /nfs/dbraw/zinc/87/08/16/1294870816.db2.gz LUBSDCHNWQXTFG-HTPGKPQGSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]32)CC[NH+]1C ZINC001690514841 1294870828 /nfs/dbraw/zinc/87/08/28/1294870828.db2.gz LUBSDCHNWQXTFG-HTPGKPQGSA-N 2 1 364.534 0.924 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001690576741 1294871967 /nfs/dbraw/zinc/87/19/67/1294871967.db2.gz IEJXYQBLZXDSHW-CKYFFXLPSA-N 2 1 354.480 0.220 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001690576616 1294872253 /nfs/dbraw/zinc/87/22/53/1294872253.db2.gz FGQJFIXXPBIOAK-MELADBBJSA-N 2 1 351.451 0.746 20 0 FCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164746241 720652114 /nfs/dbraw/zinc/65/21/14/720652114.db2.gz WJQHGRDUMBRSQH-ZIAGYGMSSA-N 2 1 353.430 0.254 20 0 FCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164744158 720729378 /nfs/dbraw/zinc/72/93/78/720729378.db2.gz RIGJFWRLKIUBIS-CABCVRRESA-N 2 1 353.430 0.254 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)O1 ZINC001066498462 837426473 /nfs/dbraw/zinc/42/64/73/837426473.db2.gz AXCLYZAWIIWKBT-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)O1 ZINC001066498462 837426479 /nfs/dbraw/zinc/42/64/79/837426479.db2.gz AXCLYZAWIIWKBT-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069931951 837566792 /nfs/dbraw/zinc/56/67/92/837566792.db2.gz RCPOLBMJYFAYMV-JJXSEGSLSA-N 2 1 352.458 0.710 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069931951 837566796 /nfs/dbraw/zinc/56/67/96/837566796.db2.gz RCPOLBMJYFAYMV-JJXSEGSLSA-N 2 1 352.458 0.710 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069931951 837566805 /nfs/dbraw/zinc/56/68/05/837566805.db2.gz RCPOLBMJYFAYMV-JJXSEGSLSA-N 2 1 352.458 0.710 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)C12CCC[NH+]1CCC2 ZINC001069968451 837581115 /nfs/dbraw/zinc/58/11/15/837581115.db2.gz ZYLVFVCPJURGGS-CABCVRRESA-N 2 1 350.442 0.608 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)C12CCC[NH+]1CCC2 ZINC001069968451 837581120 /nfs/dbraw/zinc/58/11/20/837581120.db2.gz ZYLVFVCPJURGGS-CABCVRRESA-N 2 1 350.442 0.608 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015200 837598498 /nfs/dbraw/zinc/59/84/98/837598498.db2.gz KJAGEMVIEVNPBK-BMFZPTHFSA-N 2 1 352.458 0.710 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1)OC ZINC001070098802 837617105 /nfs/dbraw/zinc/61/71/05/837617105.db2.gz UADHJZGHFLGXBY-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1)OC ZINC001070098802 837617108 /nfs/dbraw/zinc/61/71/08/837617108.db2.gz UADHJZGHFLGXBY-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276744 837642521 /nfs/dbraw/zinc/64/25/21/837642521.db2.gz YFXGCZUUSCRBIW-ILXRZTDVSA-N 2 1 363.491 0.617 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001070355910 837648589 /nfs/dbraw/zinc/64/85/89/837648589.db2.gz PEARVHFPYSNISM-KBPBESRZSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001070355910 837648594 /nfs/dbraw/zinc/64/85/94/837648594.db2.gz PEARVHFPYSNISM-KBPBESRZSA-N 2 1 350.467 0.245 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927054 837703567 /nfs/dbraw/zinc/70/35/67/837703567.db2.gz UMRVKMDUZOYTRJ-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927054 837703576 /nfs/dbraw/zinc/70/35/76/837703576.db2.gz UMRVKMDUZOYTRJ-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070927054 837703584 /nfs/dbraw/zinc/70/35/84/837703584.db2.gz UMRVKMDUZOYTRJ-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070927054 837703591 /nfs/dbraw/zinc/70/35/91/837703591.db2.gz UMRVKMDUZOYTRJ-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001099341695 844034510 /nfs/dbraw/zinc/03/45/10/844034510.db2.gz PPMQHGLLDFSYSV-YNEHKIRRSA-N 2 1 362.396 0.149 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001099341695 844034516 /nfs/dbraw/zinc/03/45/16/844034516.db2.gz PPMQHGLLDFSYSV-YNEHKIRRSA-N 2 1 362.396 0.149 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025794 /nfs/dbraw/zinc/02/57/94/836025794.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 1 356.555 0.150 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(CCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025805 /nfs/dbraw/zinc/02/58/05/836025805.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 1 356.555 0.150 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(CCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025821 /nfs/dbraw/zinc/02/58/21/836025821.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 1 356.555 0.150 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828925 836154204 /nfs/dbraw/zinc/15/42/04/836154204.db2.gz BESOHWMLTAYMPO-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284855 844134101 /nfs/dbraw/zinc/13/41/01/844134101.db2.gz CGDONXQFDVGTCO-KHYOSLBOSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284855 844134109 /nfs/dbraw/zinc/13/41/09/844134109.db2.gz CGDONXQFDVGTCO-KHYOSLBOSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284855 844134114 /nfs/dbraw/zinc/13/41/14/844134114.db2.gz CGDONXQFDVGTCO-KHYOSLBOSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313992 844143209 /nfs/dbraw/zinc/14/32/09/844143209.db2.gz RQIHHVNTVPXSEE-DAYGRLMNSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351804 844154799 /nfs/dbraw/zinc/15/47/99/844154799.db2.gz NCEXEJCWNKUCGT-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001101341222 844151893 /nfs/dbraw/zinc/15/18/93/844151893.db2.gz BPRQISFDIORKDI-WBVHZDCISA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001101341222 844151899 /nfs/dbraw/zinc/15/18/99/844151899.db2.gz BPRQISFDIORKDI-WBVHZDCISA-N 2 1 371.547 0.543 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339880 844152466 /nfs/dbraw/zinc/15/24/66/844152466.db2.gz KKIUUIIFWPTGLZ-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339880 844152472 /nfs/dbraw/zinc/15/24/72/844152472.db2.gz KKIUUIIFWPTGLZ-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339880 844152476 /nfs/dbraw/zinc/15/24/76/844152476.db2.gz KKIUUIIFWPTGLZ-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339880 844152480 /nfs/dbraw/zinc/15/24/80/844152480.db2.gz KKIUUIIFWPTGLZ-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345186 844153425 /nfs/dbraw/zinc/15/34/25/844153425.db2.gz XHSJJSSOLFPKGU-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363835 844160226 /nfs/dbraw/zinc/16/02/26/844160226.db2.gz BTLZTVQCTUKYTK-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363835 844160232 /nfs/dbraw/zinc/16/02/32/844160232.db2.gz BTLZTVQCTUKYTK-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363835 844160236 /nfs/dbraw/zinc/16/02/36/844160236.db2.gz BTLZTVQCTUKYTK-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363498 844160880 /nfs/dbraw/zinc/16/08/80/844160880.db2.gz WLLNDZLJYCIMAS-AOIWGVFYSA-N 2 1 355.523 0.896 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101365974 844161448 /nfs/dbraw/zinc/16/14/48/844161448.db2.gz UONQGERMFWZWNG-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429990 844184367 /nfs/dbraw/zinc/18/43/67/844184367.db2.gz JPLLESBDDCXRML-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429990 844184370 /nfs/dbraw/zinc/18/43/70/844184370.db2.gz JPLLESBDDCXRML-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429990 844184374 /nfs/dbraw/zinc/18/43/74/844184374.db2.gz JPLLESBDDCXRML-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)O1 ZINC001059857607 836649215 /nfs/dbraw/zinc/64/92/15/836649215.db2.gz FBLHHRVCHSZUQD-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)O1 ZINC001059857607 836649220 /nfs/dbraw/zinc/64/92/20/836649220.db2.gz FBLHHRVCHSZUQD-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621582 836701457 /nfs/dbraw/zinc/70/14/57/836701457.db2.gz ZEYHRJNALVSMNF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621582 836701462 /nfs/dbraw/zinc/70/14/62/836701462.db2.gz ZEYHRJNALVSMNF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621582 836701468 /nfs/dbraw/zinc/70/14/68/836701468.db2.gz ZEYHRJNALVSMNF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621409 836701635 /nfs/dbraw/zinc/70/16/35/836701635.db2.gz VINBGUZDPZADDF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061651189 836703441 /nfs/dbraw/zinc/70/34/41/836703441.db2.gz LFDGTXLHBZBPTR-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061651189 836703447 /nfs/dbraw/zinc/70/34/47/836703447.db2.gz LFDGTXLHBZBPTR-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061651189 836703452 /nfs/dbraw/zinc/70/34/52/836703452.db2.gz LFDGTXLHBZBPTR-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469458 844197716 /nfs/dbraw/zinc/19/77/16/844197716.db2.gz RRZKYPKADUUEMT-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469458 844197746 /nfs/dbraw/zinc/19/77/46/844197746.db2.gz RRZKYPKADUUEMT-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469458 844197747 /nfs/dbraw/zinc/19/77/47/844197747.db2.gz RRZKYPKADUUEMT-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469458 844197749 /nfs/dbraw/zinc/19/77/49/844197749.db2.gz RRZKYPKADUUEMT-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001063224755 836758424 /nfs/dbraw/zinc/75/84/24/836758424.db2.gz UJRJLPLGCVVEGF-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001063224755 836758429 /nfs/dbraw/zinc/75/84/29/836758429.db2.gz UJRJLPLGCVVEGF-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001063224755 836758435 /nfs/dbraw/zinc/75/84/35/836758435.db2.gz UJRJLPLGCVVEGF-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001063558929 836775314 /nfs/dbraw/zinc/77/53/14/836775314.db2.gz WTGUPEAFSIDRHR-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001063558929 836775329 /nfs/dbraw/zinc/77/53/29/836775329.db2.gz WTGUPEAFSIDRHR-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001063558929 836775339 /nfs/dbraw/zinc/77/53/39/836775339.db2.gz WTGUPEAFSIDRHR-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101476122 844200436 /nfs/dbraw/zinc/20/04/36/844200436.db2.gz CXBYDLOYBRPBIR-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476122 844200445 /nfs/dbraw/zinc/20/04/45/844200445.db2.gz CXBYDLOYBRPBIR-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476122 844200452 /nfs/dbraw/zinc/20/04/52/844200452.db2.gz CXBYDLOYBRPBIR-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619987 837870573 /nfs/dbraw/zinc/87/05/73/837870573.db2.gz VSNBRFWVIKQLPU-GVDBMIGSSA-N 2 1 369.531 0.438 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619987 837870579 /nfs/dbraw/zinc/87/05/79/837870579.db2.gz VSNBRFWVIKQLPU-GVDBMIGSSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619987 837870589 /nfs/dbraw/zinc/87/05/89/837870589.db2.gz VSNBRFWVIKQLPU-GVDBMIGSSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619987 837870601 /nfs/dbraw/zinc/87/06/01/837870601.db2.gz VSNBRFWVIKQLPU-GVDBMIGSSA-N 2 1 369.531 0.438 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815814 844280275 /nfs/dbraw/zinc/28/02/75/844280275.db2.gz UPBCBDGYYZNKHT-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101815814 844280283 /nfs/dbraw/zinc/28/02/83/844280283.db2.gz UPBCBDGYYZNKHT-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101815814 844280292 /nfs/dbraw/zinc/28/02/92/844280292.db2.gz UPBCBDGYYZNKHT-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC001076366033 837991644 /nfs/dbraw/zinc/99/16/44/837991644.db2.gz ZPKAFMBHSGCLPA-FUHWJXTLSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21 ZINC001076366033 837991654 /nfs/dbraw/zinc/99/16/54/837991654.db2.gz ZPKAFMBHSGCLPA-FUHWJXTLSA-N 2 1 351.491 0.811 20 0 FCADMP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015160 838216062 /nfs/dbraw/zinc/21/60/62/838216062.db2.gz DREOHEDROGSSNA-TVFCKZIOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015477 838216267 /nfs/dbraw/zinc/21/62/67/838216267.db2.gz YTFNBBPPFHGVFX-TVFCKZIOSA-N 2 1 353.507 0.551 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3scnc3C)C[C@H]2O)CC[N@@H+]1C ZINC001077026780 838224296 /nfs/dbraw/zinc/22/42/96/838224296.db2.gz JRZJVOQWUOUAQM-GBJTYRQASA-N 2 1 352.504 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3scnc3C)C[C@H]2O)CC[N@H+]1C ZINC001077026780 838224309 /nfs/dbraw/zinc/22/43/09/838224309.db2.gz JRZJVOQWUOUAQM-GBJTYRQASA-N 2 1 352.504 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@H]2O)CC[NH+]1C ZINC001077026780 838224324 /nfs/dbraw/zinc/22/43/24/838224324.db2.gz JRZJVOQWUOUAQM-GBJTYRQASA-N 2 1 352.504 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2O)CC[NH+]1C ZINC001077026780 838224338 /nfs/dbraw/zinc/22/43/38/838224338.db2.gz JRZJVOQWUOUAQM-GBJTYRQASA-N 2 1 352.504 0.843 20 0 FCADMP COCCC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981755 844360116 /nfs/dbraw/zinc/36/01/16/844360116.db2.gz QPKQDIXLYPNTSX-HZPDHXFCSA-N 2 1 351.495 0.779 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974889 844356494 /nfs/dbraw/zinc/35/64/94/844356494.db2.gz VKSLHSLRDLMROC-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077130510 838755653 /nfs/dbraw/zinc/75/56/53/838755653.db2.gz BKNLPAPKTQIXMJ-HZSPNIEDSA-N 2 1 354.401 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077130510 838755663 /nfs/dbraw/zinc/75/56/63/838755663.db2.gz BKNLPAPKTQIXMJ-HZSPNIEDSA-N 2 1 354.401 0.967 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2O)O1 ZINC001077220799 838824489 /nfs/dbraw/zinc/82/44/89/838824489.db2.gz VHQWQSNVMLFZDL-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2O)O1 ZINC001077220799 838824497 /nfs/dbraw/zinc/82/44/97/838824497.db2.gz VHQWQSNVMLFZDL-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2O)O1 ZINC001077220799 838824504 /nfs/dbraw/zinc/82/45/04/838824504.db2.gz VHQWQSNVMLFZDL-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2O)O1 ZINC001077220799 838824515 /nfs/dbraw/zinc/82/45/15/838824515.db2.gz VHQWQSNVMLFZDL-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102015639 844375823 /nfs/dbraw/zinc/37/58/23/844375823.db2.gz MYKFAAUPGFAAAJ-FMKPAKJESA-N 2 1 354.474 0.679 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102015639 844375830 /nfs/dbraw/zinc/37/58/30/844375830.db2.gz MYKFAAUPGFAAAJ-FMKPAKJESA-N 2 1 354.474 0.679 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299593 838886923 /nfs/dbraw/zinc/88/69/23/838886923.db2.gz IYCMNQDIWXUVIV-HUUCEWRRSA-N 2 1 364.515 0.784 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299593 838886934 /nfs/dbraw/zinc/88/69/34/838886934.db2.gz IYCMNQDIWXUVIV-HUUCEWRRSA-N 2 1 364.515 0.784 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566627 839041096 /nfs/dbraw/zinc/04/10/96/839041096.db2.gz IFJHOZSEPXADLX-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566627 839041108 /nfs/dbraw/zinc/04/11/08/839041108.db2.gz IFJHOZSEPXADLX-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566627 839041117 /nfs/dbraw/zinc/04/11/17/839041117.db2.gz IFJHOZSEPXADLX-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566627 839041131 /nfs/dbraw/zinc/04/11/31/839041131.db2.gz IFJHOZSEPXADLX-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H](CCNC(=O)CCCC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077630555 839079755 /nfs/dbraw/zinc/07/97/55/839079755.db2.gz QXOSPVICDQDKTH-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@@H](CCNC(=O)CCCC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077630555 839079764 /nfs/dbraw/zinc/07/97/64/839079764.db2.gz QXOSPVICDQDKTH-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679631 839107209 /nfs/dbraw/zinc/10/72/09/839107209.db2.gz XMWYDVVLIKJWQC-NWANDNLSSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679631 839107216 /nfs/dbraw/zinc/10/72/16/839107216.db2.gz XMWYDVVLIKJWQC-NWANDNLSSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679631 839107225 /nfs/dbraw/zinc/10/72/25/839107225.db2.gz XMWYDVVLIKJWQC-NWANDNLSSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679631 839107232 /nfs/dbraw/zinc/10/72/32/839107232.db2.gz XMWYDVVLIKJWQC-NWANDNLSSA-N 2 1 352.504 0.497 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685352 839113172 /nfs/dbraw/zinc/11/31/72/839113172.db2.gz LZILYPAUQDNKRZ-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685352 839113180 /nfs/dbraw/zinc/11/31/80/839113180.db2.gz LZILYPAUQDNKRZ-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685352 839113184 /nfs/dbraw/zinc/11/31/84/839113184.db2.gz LZILYPAUQDNKRZ-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001102070408 844403150 /nfs/dbraw/zinc/40/31/50/844403150.db2.gz JIWFQPHOQDUKNW-KYJSFNMBSA-N 2 1 352.523 0.783 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090902 844409621 /nfs/dbraw/zinc/40/96/21/844409621.db2.gz JCTOAAJQKLLPCY-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090902 844409629 /nfs/dbraw/zinc/40/96/29/844409629.db2.gz JCTOAAJQKLLPCY-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090902 844409634 /nfs/dbraw/zinc/40/96/34/844409634.db2.gz JCTOAAJQKLLPCY-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102091010 844410275 /nfs/dbraw/zinc/41/02/75/844410275.db2.gz NLQJTXKYSCIJJR-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001102091010 844410280 /nfs/dbraw/zinc/41/02/80/844410280.db2.gz NLQJTXKYSCIJJR-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001102091010 844410282 /nfs/dbraw/zinc/41/02/82/844410282.db2.gz NLQJTXKYSCIJJR-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006322 839289650 /nfs/dbraw/zinc/28/96/50/839289650.db2.gz ZMEHNDNPHRMDJP-RRFJBIMHSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006322 839289664 /nfs/dbraw/zinc/28/96/64/839289664.db2.gz ZMEHNDNPHRMDJP-RRFJBIMHSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006322 839289677 /nfs/dbraw/zinc/28/96/77/839289677.db2.gz ZMEHNDNPHRMDJP-RRFJBIMHSA-N 2 1 352.504 0.497 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175893 839381653 /nfs/dbraw/zinc/38/16/53/839381653.db2.gz RCAXVQXKZUWARW-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175893 839381663 /nfs/dbraw/zinc/38/16/63/839381663.db2.gz RCAXVQXKZUWARW-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175893 839381676 /nfs/dbraw/zinc/38/16/76/839381676.db2.gz RCAXVQXKZUWARW-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175893 839381689 /nfs/dbraw/zinc/38/16/89/839381689.db2.gz RCAXVQXKZUWARW-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001078418192 839460932 /nfs/dbraw/zinc/46/09/32/839460932.db2.gz JRIKRLXSVDZTCV-IJEWVQPXSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001078418192 839460936 /nfs/dbraw/zinc/46/09/36/839460936.db2.gz JRIKRLXSVDZTCV-IJEWVQPXSA-N 2 1 368.503 0.569 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274049 839504151 /nfs/dbraw/zinc/50/41/51/839504151.db2.gz DQQADDRBMQUYGF-GVDBMIGSSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274049 839504153 /nfs/dbraw/zinc/50/41/53/839504153.db2.gz DQQADDRBMQUYGF-GVDBMIGSSA-N 2 1 351.491 0.666 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285509 844458802 /nfs/dbraw/zinc/45/88/02/844458802.db2.gz UHLDAYMOFZAHOI-BMFZPTHFSA-N 2 1 353.463 0.646 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294409 844459500 /nfs/dbraw/zinc/45/95/00/844459500.db2.gz XDSHFZJLZJQUOA-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290676 844459624 /nfs/dbraw/zinc/45/96/24/844459624.db2.gz PXWYIQWTXGABKO-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290930 844460023 /nfs/dbraw/zinc/46/00/23/844460023.db2.gz ZKTBBJUBRYKJBG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1C ZINC001102290739 844460254 /nfs/dbraw/zinc/46/02/54/844460254.db2.gz TYIFUDKSVXDAIW-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1C ZINC001102290739 844460262 /nfs/dbraw/zinc/46/02/62/844460262.db2.gz TYIFUDKSVXDAIW-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311205 839699295 /nfs/dbraw/zinc/69/92/95/839699295.db2.gz VTPVMMLNBILJNM-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311205 839699303 /nfs/dbraw/zinc/69/93/03/839699303.db2.gz VTPVMMLNBILJNM-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311205 839699307 /nfs/dbraw/zinc/69/93/07/839699307.db2.gz VTPVMMLNBILJNM-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311205 839699320 /nfs/dbraw/zinc/69/93/20/839699320.db2.gz VTPVMMLNBILJNM-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080332042 839704260 /nfs/dbraw/zinc/70/42/60/839704260.db2.gz FPZLAQLNCWHEJT-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080332042 839704269 /nfs/dbraw/zinc/70/42/69/839704269.db2.gz FPZLAQLNCWHEJT-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080332042 839704281 /nfs/dbraw/zinc/70/42/81/839704281.db2.gz FPZLAQLNCWHEJT-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312892 844464874 /nfs/dbraw/zinc/46/48/74/844464874.db2.gz SVSUBSNSSPXRLK-GDBMZVCRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318589 844466357 /nfs/dbraw/zinc/46/63/57/844466357.db2.gz ACVGYXZPYGGYSN-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320766 844466581 /nfs/dbraw/zinc/46/65/81/844466581.db2.gz RZNFWHGPYDJOCS-UKRRQHHQSA-N 2 1 354.520 0.854 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558955 839746543 /nfs/dbraw/zinc/74/65/43/839746543.db2.gz MGTDPWDNXWLKQS-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754809 839791336 /nfs/dbraw/zinc/79/13/36/839791336.db2.gz ZGZIBNAYFDCRBD-KBRIMQKVSA-N 2 1 350.507 0.809 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935091 839836807 /nfs/dbraw/zinc/83/68/07/839836807.db2.gz KGYVOGUSHKQJON-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935091 839836810 /nfs/dbraw/zinc/83/68/10/839836810.db2.gz KGYVOGUSHKQJON-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935091 839836814 /nfs/dbraw/zinc/83/68/14/839836814.db2.gz KGYVOGUSHKQJON-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935091 839836816 /nfs/dbraw/zinc/83/68/16/839836816.db2.gz KGYVOGUSHKQJON-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375261 844479234 /nfs/dbraw/zinc/47/92/34/844479234.db2.gz ADDDSDBXJVIWOK-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375261 844479238 /nfs/dbraw/zinc/47/92/38/844479238.db2.gz ADDDSDBXJVIWOK-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375261 844479241 /nfs/dbraw/zinc/47/92/41/844479241.db2.gz ADDDSDBXJVIWOK-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102366364 844476811 /nfs/dbraw/zinc/47/68/11/844476811.db2.gz CALPSDVZLMJACR-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102366364 844476816 /nfs/dbraw/zinc/47/68/16/844476816.db2.gz CALPSDVZLMJACR-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102366364 844476820 /nfs/dbraw/zinc/47/68/20/844476820.db2.gz CALPSDVZLMJACR-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369920 844478187 /nfs/dbraw/zinc/47/81/87/844478187.db2.gz KRAUGXFRTGAMCT-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369920 844478190 /nfs/dbraw/zinc/47/81/90/844478190.db2.gz KRAUGXFRTGAMCT-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369920 844478196 /nfs/dbraw/zinc/47/81/96/844478196.db2.gz KRAUGXFRTGAMCT-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686527 839999406 /nfs/dbraw/zinc/99/94/06/839999406.db2.gz YQCIKKGATCWSNO-NUEKZKHPSA-N 2 1 355.458 0.622 20 0 FCADMP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686543 839999690 /nfs/dbraw/zinc/99/96/90/839999690.db2.gz ZFLCHVGJDCOELT-DJIMGWMZSA-N 2 1 351.495 0.920 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102427083 844495617 /nfs/dbraw/zinc/49/56/17/844495617.db2.gz AMAZFLNJDOPXFP-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102427083 844495623 /nfs/dbraw/zinc/49/56/23/844495623.db2.gz AMAZFLNJDOPXFP-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102427083 844495628 /nfs/dbraw/zinc/49/56/28/844495628.db2.gz AMAZFLNJDOPXFP-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001081796530 840034809 /nfs/dbraw/zinc/03/48/09/840034809.db2.gz ZMCZZMNZNIUXLP-KZNAEPCWSA-N 2 1 351.491 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796530 840034818 /nfs/dbraw/zinc/03/48/18/840034818.db2.gz ZMCZZMNZNIUXLP-KZNAEPCWSA-N 2 1 351.491 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796530 840034827 /nfs/dbraw/zinc/03/48/27/840034827.db2.gz ZMCZZMNZNIUXLP-KZNAEPCWSA-N 2 1 351.491 0.855 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434278 844497630 /nfs/dbraw/zinc/49/76/30/844497630.db2.gz XSYRTPBIISBDKT-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467137 844509366 /nfs/dbraw/zinc/50/93/66/844509366.db2.gz IWFJJVHRDRCJRD-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467137 844509376 /nfs/dbraw/zinc/50/93/76/844509376.db2.gz IWFJJVHRDRCJRD-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CCC1 ZINC001082096057 840183099 /nfs/dbraw/zinc/18/30/99/840183099.db2.gz WRNIIQSOUXPJRA-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001082145152 840213113 /nfs/dbraw/zinc/21/31/13/840213113.db2.gz QTJGGUYVBJMGJI-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001082145152 840213127 /nfs/dbraw/zinc/21/31/27/840213127.db2.gz QTJGGUYVBJMGJI-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222126 840246883 /nfs/dbraw/zinc/24/68/83/840246883.db2.gz HKHYPOIBJHEGGI-USXIJHARSA-N 2 1 351.495 0.920 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479773 844518616 /nfs/dbraw/zinc/51/86/16/844518616.db2.gz HLOJWIXHPAANOS-BRWVUGGUSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271455 840268955 /nfs/dbraw/zinc/26/89/55/840268955.db2.gz BBFOGFWIDZWGKR-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271455 840268968 /nfs/dbraw/zinc/26/89/68/840268968.db2.gz BBFOGFWIDZWGKR-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102487007 844524027 /nfs/dbraw/zinc/52/40/27/844524027.db2.gz GNZWZPQJDVUCJQ-BRWVUGGUSA-N 2 1 353.507 0.818 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317879 840296944 /nfs/dbraw/zinc/29/69/44/840296944.db2.gz MIFUKNDZBQSUIE-BMGDILEWSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318053 840297057 /nfs/dbraw/zinc/29/70/57/840297057.db2.gz VKVGAEGJSZVLKD-ZTFGCOKTSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326737 840308918 /nfs/dbraw/zinc/30/89/18/840308918.db2.gz PCWVKIUXDORHOA-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326737 840308930 /nfs/dbraw/zinc/30/89/30/840308930.db2.gz PCWVKIUXDORHOA-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326737 840308943 /nfs/dbraw/zinc/30/89/43/840308943.db2.gz PCWVKIUXDORHOA-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326737 840308957 /nfs/dbraw/zinc/30/89/57/840308957.db2.gz PCWVKIUXDORHOA-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368943 840355383 /nfs/dbraw/zinc/35/53/83/840355383.db2.gz SCWHEEDXIDOMPA-IAOVAPTHSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368943 840355392 /nfs/dbraw/zinc/35/53/92/840355392.db2.gz SCWHEEDXIDOMPA-IAOVAPTHSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368943 840355402 /nfs/dbraw/zinc/35/54/02/840355402.db2.gz SCWHEEDXIDOMPA-IAOVAPTHSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368943 840355411 /nfs/dbraw/zinc/35/54/11/840355411.db2.gz SCWHEEDXIDOMPA-IAOVAPTHSA-N 2 1 350.463 0.813 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082447678 840414959 /nfs/dbraw/zinc/41/49/59/840414959.db2.gz JRMIUPSSEMKSLL-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082520476 840446552 /nfs/dbraw/zinc/44/65/52/840446552.db2.gz ZFYXCWNGBPLPCP-MUIFIZLQSA-N 2 1 371.547 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001082522115 840447785 /nfs/dbraw/zinc/44/77/85/840447785.db2.gz STMJOYUADPFTEV-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082570424 840470460 /nfs/dbraw/zinc/47/04/60/840470460.db2.gz LGBARWQHZFMQMP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513649 844544529 /nfs/dbraw/zinc/54/45/29/844544529.db2.gz VQSXBMFAPBCGSW-QLFBSQMISA-N 2 1 352.483 0.138 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513649 844544535 /nfs/dbraw/zinc/54/45/35/844544535.db2.gz VQSXBMFAPBCGSW-QLFBSQMISA-N 2 1 352.483 0.138 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)on1 ZINC001102513297 844545004 /nfs/dbraw/zinc/54/50/04/844545004.db2.gz DQBCRKQJPPZRBF-ZIAGYGMSSA-N 2 1 354.451 0.446 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001082703215 840529673 /nfs/dbraw/zinc/52/96/73/840529673.db2.gz DGKWVBFMGQZUHN-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001082703215 840529678 /nfs/dbraw/zinc/52/96/78/840529678.db2.gz DGKWVBFMGQZUHN-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102524643 844551826 /nfs/dbraw/zinc/55/18/26/844551826.db2.gz PEIZIVGPMBEDNO-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102524643 844551833 /nfs/dbraw/zinc/55/18/33/844551833.db2.gz PEIZIVGPMBEDNO-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102524643 844551840 /nfs/dbraw/zinc/55/18/40/844551840.db2.gz PEIZIVGPMBEDNO-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082861975 840588062 /nfs/dbraw/zinc/58/80/62/840588062.db2.gz UQTISRBRBYROLX-VNQPRFMTSA-N 2 1 366.531 0.997 20 0 FCADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083082294 840696091 /nfs/dbraw/zinc/69/60/91/840696091.db2.gz RIOMLUZISBYJKE-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083082294 840696092 /nfs/dbraw/zinc/69/60/92/840696092.db2.gz RIOMLUZISBYJKE-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083082294 840696096 /nfs/dbraw/zinc/69/60/96/840696096.db2.gz RIOMLUZISBYJKE-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083082294 840696101 /nfs/dbraw/zinc/69/61/01/840696101.db2.gz RIOMLUZISBYJKE-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106344 840715657 /nfs/dbraw/zinc/71/56/57/840715657.db2.gz WXMYKNBTVQKFNH-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106344 840715661 /nfs/dbraw/zinc/71/56/61/840715661.db2.gz WXMYKNBTVQKFNH-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106344 840715667 /nfs/dbraw/zinc/71/56/67/840715667.db2.gz WXMYKNBTVQKFNH-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCF)C[C@@H]32)cn1 ZINC001083220748 840808429 /nfs/dbraw/zinc/80/84/29/840808429.db2.gz PYOVALPKWQMCPJ-JKSUJKDBSA-N 2 1 353.442 0.330 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274859 840856427 /nfs/dbraw/zinc/85/64/27/840856427.db2.gz CVTUSUPFFXNRFQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274859 840856439 /nfs/dbraw/zinc/85/64/39/840856439.db2.gz CVTUSUPFFXNRFQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274859 840856458 /nfs/dbraw/zinc/85/64/58/840856458.db2.gz CVTUSUPFFXNRFQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083276109 840858111 /nfs/dbraw/zinc/85/81/11/840858111.db2.gz MTIMVRJUUCXDAV-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083276109 840858117 /nfs/dbraw/zinc/85/81/17/840858117.db2.gz MTIMVRJUUCXDAV-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596176 844587384 /nfs/dbraw/zinc/58/73/84/844587384.db2.gz RIRFDEHFGOAJCO-HZPDHXFCSA-N 2 1 359.536 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596176 844587393 /nfs/dbraw/zinc/58/73/93/844587393.db2.gz RIRFDEHFGOAJCO-HZPDHXFCSA-N 2 1 359.536 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466249 841037334 /nfs/dbraw/zinc/03/73/34/841037334.db2.gz MNLVBHSEVHOXCS-KSZLIROESA-N 2 1 351.491 0.306 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001083469948 841042700 /nfs/dbraw/zinc/04/27/00/841042700.db2.gz RUKKDACANIOJNE-BDXSIMOUSA-N 2 1 351.491 0.305 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560164 841170311 /nfs/dbraw/zinc/17/03/11/841170311.db2.gz UDVCIDQVXAXCPI-BBWFWOEESA-N 2 1 351.491 0.450 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602270 841222334 /nfs/dbraw/zinc/22/23/34/841222334.db2.gz MEYDPACCOJSOKF-BACDZXNISA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654767 841282007 /nfs/dbraw/zinc/28/20/07/841282007.db2.gz FRRZIYCDFKVLOJ-OWQJAQGESA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654767 841282014 /nfs/dbraw/zinc/28/20/14/841282014.db2.gz FRRZIYCDFKVLOJ-OWQJAQGESA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654767 841282023 /nfs/dbraw/zinc/28/20/23/841282023.db2.gz FRRZIYCDFKVLOJ-OWQJAQGESA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654767 841282033 /nfs/dbraw/zinc/28/20/33/841282033.db2.gz FRRZIYCDFKVLOJ-OWQJAQGESA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083669203 841293409 /nfs/dbraw/zinc/29/34/09/841293409.db2.gz XYHAGHHJVXKEQG-SQNIBIBYSA-N 2 1 351.491 0.449 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719445 841352513 /nfs/dbraw/zinc/35/25/13/841352513.db2.gz DKVRTOZFGOVNHT-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719445 841352524 /nfs/dbraw/zinc/35/25/24/841352524.db2.gz DKVRTOZFGOVNHT-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719445 841352535 /nfs/dbraw/zinc/35/25/35/841352535.db2.gz DKVRTOZFGOVNHT-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cs1 ZINC001083749891 841393052 /nfs/dbraw/zinc/39/30/52/841393052.db2.gz VPHSGAKYNPJLPJ-CVEARBPZSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cs1 ZINC001083749891 841393064 /nfs/dbraw/zinc/39/30/64/841393064.db2.gz VPHSGAKYNPJLPJ-CVEARBPZSA-N 2 1 352.504 0.497 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831192 841474345 /nfs/dbraw/zinc/47/43/45/841474345.db2.gz BDFOHVWXLNWZEC-JQHSSLGASA-N 2 1 353.507 0.981 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831192 841474349 /nfs/dbraw/zinc/47/43/49/841474349.db2.gz BDFOHVWXLNWZEC-JQHSSLGASA-N 2 1 353.507 0.981 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831323 841474978 /nfs/dbraw/zinc/47/49/78/841474978.db2.gz GXRABASQGGPDIR-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083833044 841477248 /nfs/dbraw/zinc/47/72/48/841477248.db2.gz GTGWGEZTTRVDQC-BBWFWOEESA-N 2 1 353.507 0.695 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083887932 841536282 /nfs/dbraw/zinc/53/62/82/841536282.db2.gz RZERTKAVGCAZLK-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083887932 841536287 /nfs/dbraw/zinc/53/62/87/841536287.db2.gz RZERTKAVGCAZLK-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001083908387 841555778 /nfs/dbraw/zinc/55/57/78/841555778.db2.gz AFLWIZWJSDJLBT-MSOLQXFVSA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959152 841604171 /nfs/dbraw/zinc/60/41/71/841604171.db2.gz IYENYNUJRBPQRR-XQQFMLRXSA-N 2 1 362.301 0.827 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959152 841604176 /nfs/dbraw/zinc/60/41/76/841604176.db2.gz IYENYNUJRBPQRR-XQQFMLRXSA-N 2 1 362.301 0.827 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCCC1 ZINC001083959557 841604705 /nfs/dbraw/zinc/60/47/05/841604705.db2.gz YPWNVNRMYVPNMI-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP CC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833369 861219226 /nfs/dbraw/zinc/21/92/26/861219226.db2.gz CIULDASTJJPPSJ-KXBFYZLASA-N 2 1 351.491 0.999 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054180 841668321 /nfs/dbraw/zinc/66/83/21/841668321.db2.gz ZNUHAMAKRLWKSK-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054180 841668331 /nfs/dbraw/zinc/66/83/31/841668331.db2.gz ZNUHAMAKRLWKSK-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054180 841668339 /nfs/dbraw/zinc/66/83/39/841668339.db2.gz ZNUHAMAKRLWKSK-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078162 841688214 /nfs/dbraw/zinc/68/82/14/841688214.db2.gz OSNAENSSWRFLEF-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078162 841688221 /nfs/dbraw/zinc/68/82/21/841688221.db2.gz OSNAENSSWRFLEF-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078162 841688226 /nfs/dbraw/zinc/68/82/26/841688226.db2.gz OSNAENSSWRFLEF-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078162 841688231 /nfs/dbraw/zinc/68/82/31/841688231.db2.gz OSNAENSSWRFLEF-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877363 861241250 /nfs/dbraw/zinc/24/12/50/861241250.db2.gz AZSLYKDCILGPKX-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878083 861241747 /nfs/dbraw/zinc/24/17/47/861241747.db2.gz GYTNUUJTSCEQSU-APWZRJJASA-N 2 1 350.507 0.907 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878394 861241809 /nfs/dbraw/zinc/24/18/09/861241809.db2.gz KNANGPMDTJIJDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878394 861241824 /nfs/dbraw/zinc/24/18/24/861241824.db2.gz KNANGPMDTJIJDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001275878394 861241836 /nfs/dbraw/zinc/24/18/36/861241836.db2.gz KNANGPMDTJIJDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275878394 861241851 /nfs/dbraw/zinc/24/18/51/861241851.db2.gz KNANGPMDTJIJDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001084722219 841900677 /nfs/dbraw/zinc/90/06/77/841900677.db2.gz DZNZXCCWFFVDHZ-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001084722219 841900681 /nfs/dbraw/zinc/90/06/81/841900681.db2.gz DZNZXCCWFFVDHZ-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910986 841952244 /nfs/dbraw/zinc/95/22/44/841952244.db2.gz KUDMZDSNSQTZDY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910986 841952253 /nfs/dbraw/zinc/95/22/53/841952253.db2.gz KUDMZDSNSQTZDY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910986 841952261 /nfs/dbraw/zinc/95/22/61/841952261.db2.gz KUDMZDSNSQTZDY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910986 841952269 /nfs/dbraw/zinc/95/22/69/841952269.db2.gz KUDMZDSNSQTZDY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085152462 842028693 /nfs/dbraw/zinc/02/86/93/842028693.db2.gz FWQIJVYPUNRLBY-ZACQAIPSSA-N 2 1 371.547 0.922 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001086090835 842119617 /nfs/dbraw/zinc/11/96/17/842119617.db2.gz TWFCFYIHJFVNDK-UUAJXVIYSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001086120304 842122015 /nfs/dbraw/zinc/12/20/15/842122015.db2.gz UHKCWCSZTRDGGP-LUYZLQTOSA-N 2 1 369.897 0.740 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001086120304 842122023 /nfs/dbraw/zinc/12/20/23/842122023.db2.gz UHKCWCSZTRDGGP-LUYZLQTOSA-N 2 1 369.897 0.740 20 0 FCADMP COc1nscc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665542 842147319 /nfs/dbraw/zinc/14/73/19/842147319.db2.gz HOGICYZFJKUYJW-NWANDNLSSA-N 2 1 368.503 0.857 20 0 FCADMP COc1nscc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665542 842147327 /nfs/dbraw/zinc/14/73/27/842147327.db2.gz HOGICYZFJKUYJW-NWANDNLSSA-N 2 1 368.503 0.857 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)C1 ZINC001086880033 842189993 /nfs/dbraw/zinc/18/99/93/842189993.db2.gz IWXZYRNMKQURHM-GUTXKFCHSA-N 2 1 353.492 0.633 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)C1 ZINC001086880033 842189994 /nfs/dbraw/zinc/18/99/94/842189994.db2.gz IWXZYRNMKQURHM-GUTXKFCHSA-N 2 1 353.492 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087059786 842254992 /nfs/dbraw/zinc/25/49/92/842254992.db2.gz VLHBLJAOQBQKPP-UKRRQHHQSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083434 842275712 /nfs/dbraw/zinc/27/57/12/842275712.db2.gz FDCYUYRZERVMIY-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083434 842275740 /nfs/dbraw/zinc/27/57/40/842275740.db2.gz FDCYUYRZERVMIY-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087100217 842289269 /nfs/dbraw/zinc/28/92/69/842289269.db2.gz KEPKFKJMMNTQRM-SQWLQELKSA-N 2 1 351.451 0.283 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001088047301 842516888 /nfs/dbraw/zinc/51/68/88/842516888.db2.gz QUIUZPPHARUFGB-ASLPWWTFSA-N 2 1 351.466 0.990 20 0 FCADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001088047301 842516892 /nfs/dbraw/zinc/51/68/92/842516892.db2.gz QUIUZPPHARUFGB-ASLPWWTFSA-N 2 1 351.466 0.990 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001088047301 842516896 /nfs/dbraw/zinc/51/68/96/842516896.db2.gz QUIUZPPHARUFGB-ASLPWWTFSA-N 2 1 351.466 0.990 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064569 842521680 /nfs/dbraw/zinc/52/16/80/842521680.db2.gz KXHOIQRWQBOWCV-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129604 842537762 /nfs/dbraw/zinc/53/77/62/842537762.db2.gz WMWHQUCGXZCALO-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001088212676 842562904 /nfs/dbraw/zinc/56/29/04/842562904.db2.gz HVJPLIWEOGOCQB-RYRKJORJSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001088835962 842690092 /nfs/dbraw/zinc/69/00/92/842690092.db2.gz XPFDSZILASSPOJ-VYDXJSESSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001088835962 842690101 /nfs/dbraw/zinc/69/01/01/842690101.db2.gz XPFDSZILASSPOJ-VYDXJSESSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667439 843066296 /nfs/dbraw/zinc/06/62/96/843066296.db2.gz UAWXJIIQUPICKZ-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667439 843066306 /nfs/dbraw/zinc/06/63/06/843066306.db2.gz UAWXJIIQUPICKZ-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667439 843066316 /nfs/dbraw/zinc/06/63/16/843066316.db2.gz UAWXJIIQUPICKZ-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091671978 843067328 /nfs/dbraw/zinc/06/73/28/843067328.db2.gz ATCOZMOLVWDZDU-KHYOSLBOSA-N 2 1 350.507 0.905 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731755 843083342 /nfs/dbraw/zinc/08/33/42/843083342.db2.gz VKZZNMSKUIKVBU-MDZRGWNJSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731755 843083356 /nfs/dbraw/zinc/08/33/56/843083356.db2.gz VKZZNMSKUIKVBU-MDZRGWNJSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731755 843083364 /nfs/dbraw/zinc/08/33/64/843083364.db2.gz VKZZNMSKUIKVBU-MDZRGWNJSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736856 843085777 /nfs/dbraw/zinc/08/57/77/843085777.db2.gz GFCQOMMOUGAGQG-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736856 843085791 /nfs/dbraw/zinc/08/57/91/843085791.db2.gz GFCQOMMOUGAGQG-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736856 843085804 /nfs/dbraw/zinc/08/58/04/843085804.db2.gz GFCQOMMOUGAGQG-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013326 843141218 /nfs/dbraw/zinc/14/12/18/843141218.db2.gz NRLOXFCTEGEQGH-JEBQAFNWSA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013326 843141225 /nfs/dbraw/zinc/14/12/25/843141225.db2.gz NRLOXFCTEGEQGH-JEBQAFNWSA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013326 843141230 /nfs/dbraw/zinc/14/12/30/843141230.db2.gz NRLOXFCTEGEQGH-JEBQAFNWSA-N 2 1 354.470 0.465 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092015383 843141467 /nfs/dbraw/zinc/14/14/67/843141467.db2.gz OZPMAYZJBOAUJH-QAPCUYQASA-N 2 1 371.547 0.543 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092015383 843141470 /nfs/dbraw/zinc/14/14/70/843141470.db2.gz OZPMAYZJBOAUJH-QAPCUYQASA-N 2 1 371.547 0.543 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092015383 843141473 /nfs/dbraw/zinc/14/14/73/843141473.db2.gz OZPMAYZJBOAUJH-QAPCUYQASA-N 2 1 371.547 0.543 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092015383 843141477 /nfs/dbraw/zinc/14/14/77/843141477.db2.gz OZPMAYZJBOAUJH-QAPCUYQASA-N 2 1 371.547 0.543 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145597 843164352 /nfs/dbraw/zinc/16/43/52/843164352.db2.gz PCCYHXVRCVBQIQ-FCEWJHQRSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604663 843248662 /nfs/dbraw/zinc/24/86/62/843248662.db2.gz OJYQQWDEWAADRB-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604663 843248675 /nfs/dbraw/zinc/24/86/75/843248675.db2.gz OJYQQWDEWAADRB-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604663 843248686 /nfs/dbraw/zinc/24/86/86/843248686.db2.gz OJYQQWDEWAADRB-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605263 843249277 /nfs/dbraw/zinc/24/92/77/843249277.db2.gz YOVCPUUCYWFMOL-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605263 843249288 /nfs/dbraw/zinc/24/92/88/843249288.db2.gz YOVCPUUCYWFMOL-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605263 843249297 /nfs/dbraw/zinc/24/92/97/843249297.db2.gz YOVCPUUCYWFMOL-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092605263 843249307 /nfs/dbraw/zinc/24/93/07/843249307.db2.gz YOVCPUUCYWFMOL-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658266 843269170 /nfs/dbraw/zinc/26/91/70/843269170.db2.gz NPFQVXJRRRAOJF-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658266 843269173 /nfs/dbraw/zinc/26/91/73/843269173.db2.gz NPFQVXJRRRAOJF-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658266 843269182 /nfs/dbraw/zinc/26/91/82/843269182.db2.gz NPFQVXJRRRAOJF-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677125 843275696 /nfs/dbraw/zinc/27/56/96/843275696.db2.gz YZKVIEQYZGSKSZ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677125 843275702 /nfs/dbraw/zinc/27/57/02/843275702.db2.gz YZKVIEQYZGSKSZ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677125 843275710 /nfs/dbraw/zinc/27/57/10/843275710.db2.gz YZKVIEQYZGSKSZ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907221 843336827 /nfs/dbraw/zinc/33/68/27/843336827.db2.gz YSGRDOLUUVQFGJ-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907221 843336838 /nfs/dbraw/zinc/33/68/38/843336838.db2.gz YSGRDOLUUVQFGJ-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907221 843336848 /nfs/dbraw/zinc/33/68/48/843336848.db2.gz YSGRDOLUUVQFGJ-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919305 843340897 /nfs/dbraw/zinc/34/08/97/843340897.db2.gz JNDOCOIKCGDWGJ-BPLDGKMQSA-N 2 1 350.463 0.903 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919306 843341910 /nfs/dbraw/zinc/34/19/10/843341910.db2.gz JNDOCOIKCGDWGJ-YUELXQCFSA-N 2 1 350.463 0.903 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093044330 843370749 /nfs/dbraw/zinc/37/07/49/843370749.db2.gz HBBSQOOMCZCLGE-BZUAXINKSA-N 2 1 351.495 0.777 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690216 843455413 /nfs/dbraw/zinc/45/54/13/843455413.db2.gz NFCYABDETGGICV-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690216 843455418 /nfs/dbraw/zinc/45/54/18/843455418.db2.gz NFCYABDETGGICV-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857490 843479980 /nfs/dbraw/zinc/47/99/80/843479980.db2.gz HSLGXSCUMZAPHR-ZNEHSRBWSA-N 2 1 351.451 0.281 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857490 843479986 /nfs/dbraw/zinc/47/99/86/843479986.db2.gz HSLGXSCUMZAPHR-ZNEHSRBWSA-N 2 1 351.451 0.281 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001093992280 843501116 /nfs/dbraw/zinc/50/11/16/843501116.db2.gz MYJCHLSPNYFQRJ-IIAWOOMASA-N 2 1 367.519 0.831 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001093992280 843501123 /nfs/dbraw/zinc/50/11/23/843501123.db2.gz MYJCHLSPNYFQRJ-IIAWOOMASA-N 2 1 367.519 0.831 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094433230 843552072 /nfs/dbraw/zinc/55/20/72/843552072.db2.gz YHEMVJXKVWFEDF-GPMSIDNRSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC001094433230 843552081 /nfs/dbraw/zinc/55/20/81/843552081.db2.gz YHEMVJXKVWFEDF-GPMSIDNRSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC001094433230 843552092 /nfs/dbraw/zinc/55/20/92/843552092.db2.gz YHEMVJXKVWFEDF-GPMSIDNRSA-N 2 1 350.507 0.810 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095903665 843764208 /nfs/dbraw/zinc/76/42/08/843764208.db2.gz GIRAKKBIESNGSN-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095903665 843764215 /nfs/dbraw/zinc/76/42/15/843764215.db2.gz GIRAKKBIESNGSN-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001095903665 843764223 /nfs/dbraw/zinc/76/42/23/843764223.db2.gz GIRAKKBIESNGSN-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001095903665 843764228 /nfs/dbraw/zinc/76/42/28/843764228.db2.gz GIRAKKBIESNGSN-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001095962925 843769323 /nfs/dbraw/zinc/76/93/23/843769323.db2.gz MLZQZHPCKYGOHH-ORQFMDKSSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001095962925 843769332 /nfs/dbraw/zinc/76/93/32/843769332.db2.gz MLZQZHPCKYGOHH-ORQFMDKSSA-N 2 1 369.531 0.484 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975868 843893368 /nfs/dbraw/zinc/89/33/68/843893368.db2.gz HRIWTPFZJCKVNK-DZUCGIPZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975868 843893371 /nfs/dbraw/zinc/89/33/71/843893371.db2.gz HRIWTPFZJCKVNK-DZUCGIPZSA-N 2 1 350.507 0.917 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394890 843913099 /nfs/dbraw/zinc/91/30/99/843913099.db2.gz ULZRIGZMHVIPES-HZMVEIRTSA-N 2 1 369.531 0.484 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394890 843913101 /nfs/dbraw/zinc/91/31/01/843913101.db2.gz ULZRIGZMHVIPES-HZMVEIRTSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394890 843913103 /nfs/dbraw/zinc/91/31/03/843913103.db2.gz ULZRIGZMHVIPES-HZMVEIRTSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394890 843913106 /nfs/dbraw/zinc/91/31/06/843913106.db2.gz ULZRIGZMHVIPES-HZMVEIRTSA-N 2 1 369.531 0.484 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098394963 843913370 /nfs/dbraw/zinc/91/33/70/843913370.db2.gz VECKDIYGYUOILI-FPCVCCKLSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098394963 843913373 /nfs/dbraw/zinc/91/33/73/843913373.db2.gz VECKDIYGYUOILI-FPCVCCKLSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098394963 843913375 /nfs/dbraw/zinc/91/33/75/843913375.db2.gz VECKDIYGYUOILI-FPCVCCKLSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098394963 843913377 /nfs/dbraw/zinc/91/33/77/843913377.db2.gz VECKDIYGYUOILI-FPCVCCKLSA-N 2 1 364.515 0.891 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001098844466 843939702 /nfs/dbraw/zinc/93/97/02/843939702.db2.gz COKWJUGPZFIXQJ-DLTWYDFYSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001098844466 843939705 /nfs/dbraw/zinc/93/97/05/843939705.db2.gz COKWJUGPZFIXQJ-DLTWYDFYSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001098844466 843939708 /nfs/dbraw/zinc/93/97/08/843939708.db2.gz COKWJUGPZFIXQJ-DLTWYDFYSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001098844466 843939712 /nfs/dbraw/zinc/93/97/12/843939712.db2.gz COKWJUGPZFIXQJ-DLTWYDFYSA-N 2 1 357.520 0.342 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875992 843943035 /nfs/dbraw/zinc/94/30/35/843943035.db2.gz YWTBRCUOWNNQEW-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875992 843943039 /nfs/dbraw/zinc/94/30/39/843943039.db2.gz YWTBRCUOWNNQEW-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875992 843943044 /nfs/dbraw/zinc/94/30/44/843943044.db2.gz YWTBRCUOWNNQEW-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC)C3)C1 ZINC001098991174 843954014 /nfs/dbraw/zinc/95/40/14/843954014.db2.gz QXVJUPHQFQYNMV-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC)C3)C1 ZINC001098991174 843954018 /nfs/dbraw/zinc/95/40/18/843954018.db2.gz QXVJUPHQFQYNMV-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC)C3)C1 ZINC001098991174 843954023 /nfs/dbraw/zinc/95/40/23/843954023.db2.gz QXVJUPHQFQYNMV-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC)C3)C1 ZINC001098991174 843954024 /nfs/dbraw/zinc/95/40/24/843954024.db2.gz QXVJUPHQFQYNMV-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059281 843957678 /nfs/dbraw/zinc/95/76/78/843957678.db2.gz CRVXQKGPIIYTTM-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059281 843957682 /nfs/dbraw/zinc/95/76/82/843957682.db2.gz CRVXQKGPIIYTTM-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122969 843963844 /nfs/dbraw/zinc/96/38/44/843963844.db2.gz MXOUJBCJXDTRSZ-YOEHRIQHSA-N 2 1 355.504 0.098 20 0 FCADMP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122969 843963848 /nfs/dbraw/zinc/96/38/48/843963848.db2.gz MXOUJBCJXDTRSZ-YOEHRIQHSA-N 2 1 355.504 0.098 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099260384 843994838 /nfs/dbraw/zinc/99/48/38/843994838.db2.gz HACXTWGJNTYWCZ-IJLUTSLNSA-N 2 1 350.385 0.325 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099260384 843994843 /nfs/dbraw/zinc/99/48/43/843994843.db2.gz HACXTWGJNTYWCZ-IJLUTSLNSA-N 2 1 350.385 0.325 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099262005 843995705 /nfs/dbraw/zinc/99/57/05/843995705.db2.gz BHRBXGSJSSXKKL-JHJVBQTASA-N 2 1 364.412 0.429 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099262005 843995710 /nfs/dbraw/zinc/99/57/10/843995710.db2.gz BHRBXGSJSSXKKL-JHJVBQTASA-N 2 1 364.412 0.429 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103005134 844682594 /nfs/dbraw/zinc/68/25/94/844682594.db2.gz RUGTWTMIGMFRMD-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103005134 844682598 /nfs/dbraw/zinc/68/25/98/844682598.db2.gz RUGTWTMIGMFRMD-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001103005134 844682602 /nfs/dbraw/zinc/68/26/02/844682602.db2.gz RUGTWTMIGMFRMD-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090038 844698621 /nfs/dbraw/zinc/69/86/21/844698621.db2.gz JUMHMTXUDQQINC-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090038 844698625 /nfs/dbraw/zinc/69/86/25/844698625.db2.gz JUMHMTXUDQQINC-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090038 844698629 /nfs/dbraw/zinc/69/86/29/844698629.db2.gz JUMHMTXUDQQINC-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087935 844699135 /nfs/dbraw/zinc/69/91/35/844699135.db2.gz QDIGDUZVCZMUGN-KYJSFNMBSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+](C)C ZINC001103111978 844702955 /nfs/dbraw/zinc/70/29/55/844702955.db2.gz YMCBEZUGQWEXSG-NUJGCVRESA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148150 844706369 /nfs/dbraw/zinc/70/63/69/844706369.db2.gz PWSRRVUQNGOOCW-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148150 844706372 /nfs/dbraw/zinc/70/63/72/844706372.db2.gz PWSRRVUQNGOOCW-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148150 844706379 /nfs/dbraw/zinc/70/63/79/844706379.db2.gz PWSRRVUQNGOOCW-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359278 844743207 /nfs/dbraw/zinc/74/32/07/844743207.db2.gz SBUJMYXVBJABDU-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359278 844743210 /nfs/dbraw/zinc/74/32/10/844743210.db2.gz SBUJMYXVBJABDU-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359278 844743218 /nfs/dbraw/zinc/74/32/18/844743218.db2.gz SBUJMYXVBJABDU-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103612387 844787559 /nfs/dbraw/zinc/78/75/59/844787559.db2.gz AXSWCQKNCYNMLY-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103612387 844787562 /nfs/dbraw/zinc/78/75/62/844787562.db2.gz AXSWCQKNCYNMLY-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103612387 844787565 /nfs/dbraw/zinc/78/75/65/844787565.db2.gz AXSWCQKNCYNMLY-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642001 844794295 /nfs/dbraw/zinc/79/42/95/844794295.db2.gz MDJKNVRLAFLAPA-UKRRQHHQSA-N 2 1 353.467 0.530 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647089 844794639 /nfs/dbraw/zinc/79/46/39/844794639.db2.gz UJFMXJPPTFCUBM-IAGOWNOFSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001103999606 844850886 /nfs/dbraw/zinc/85/08/86/844850886.db2.gz FDMKDRHHQUGEIU-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104000103 844852344 /nfs/dbraw/zinc/85/23/44/844852344.db2.gz VRPGMEHMWPOHEH-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629944 861505651 /nfs/dbraw/zinc/50/56/51/861505651.db2.gz GSJCAEDGFWJISD-LJQANCHMSA-N 3 1 351.539 0.252 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001276629944 861505652 /nfs/dbraw/zinc/50/56/52/861505652.db2.gz GSJCAEDGFWJISD-LJQANCHMSA-N 2 1 351.539 0.252 20 0 FCADMP CN1CCN(CCC[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001276629944 861505654 /nfs/dbraw/zinc/50/56/54/861505654.db2.gz GSJCAEDGFWJISD-LJQANCHMSA-N 2 1 351.539 0.252 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1CC[NH2+]CCCO ZINC001104289038 844890176 /nfs/dbraw/zinc/89/01/76/844890176.db2.gz DBZGWYKTFUOSDW-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289698 844891317 /nfs/dbraw/zinc/89/13/17/844891317.db2.gz PHYCILCXUJOSSS-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001104375478 844903263 /nfs/dbraw/zinc/90/32/63/844903263.db2.gz OPIWBFBENBYWKO-JHJVBQTASA-N 2 1 351.451 0.298 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682998 844932172 /nfs/dbraw/zinc/93/21/72/844932172.db2.gz FLAIJTNSITYUIK-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683910 844932334 /nfs/dbraw/zinc/93/23/34/844932334.db2.gz TZFQYIAVNGHFBZ-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244213 844984973 /nfs/dbraw/zinc/98/49/73/844984973.db2.gz QOKDMSVFKAWAQH-CZUORRHYSA-N 2 1 350.467 0.128 20 0 FCADMP CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244213 844984981 /nfs/dbraw/zinc/98/49/81/844984981.db2.gz QOKDMSVFKAWAQH-CZUORRHYSA-N 2 1 350.467 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC(N)=O)CCC2)CC[N@H+]1C ZINC001105539720 844987263 /nfs/dbraw/zinc/98/72/63/844987263.db2.gz OCBLGGVALWCEPQ-OAGGEKHMSA-N 2 1 350.507 0.953 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105666914 845013489 /nfs/dbraw/zinc/01/34/89/845013489.db2.gz LBGFUPWASQLBBA-RWQQGDIJSA-N 2 1 355.523 0.677 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105668059 845014687 /nfs/dbraw/zinc/01/46/87/845014687.db2.gz WATKUGZHYUQQTB-ZAWLATJESA-N 2 1 355.523 0.941 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105669052 845015982 /nfs/dbraw/zinc/01/59/82/845015982.db2.gz PBTJNKCYGGAGRU-FPAYPSAMSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941676 845063320 /nfs/dbraw/zinc/06/33/20/845063320.db2.gz HLUDNAFQBPISAL-OAGGEKHMSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106112277 845102484 /nfs/dbraw/zinc/10/24/84/845102484.db2.gz IPNZHKVOVOSIAD-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106112226 845102584 /nfs/dbraw/zinc/10/25/84/845102584.db2.gz YVPBACWQTKIFBE-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CCCC3)C2)C1=O ZINC001276678393 861531343 /nfs/dbraw/zinc/53/13/43/861531343.db2.gz MFAVBCYQMKZNDH-GOSISDBHSA-N 2 1 350.463 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106134541 845110715 /nfs/dbraw/zinc/11/07/15/845110715.db2.gz ZGDPPUHCMLPOOK-OWCLPIDISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106148788 845114987 /nfs/dbraw/zinc/11/49/87/845114987.db2.gz YVBTYKOZODTPLS-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106249419 845143342 /nfs/dbraw/zinc/14/33/42/845143342.db2.gz GVBBDWNWVRBOME-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106256077 845144379 /nfs/dbraw/zinc/14/43/79/845144379.db2.gz WTSNDCGRCOWHDP-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321545 845153617 /nfs/dbraw/zinc/15/36/17/845153617.db2.gz APDGYCGRJQQKDS-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453754 845177197 /nfs/dbraw/zinc/17/71/97/845177197.db2.gz VKHAPTPERYRIQF-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666677 845219888 /nfs/dbraw/zinc/21/98/88/845219888.db2.gz QDFUOBRZJDXROX-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106667904 845220785 /nfs/dbraw/zinc/22/07/85/845220785.db2.gz BOMWJIDWUUEBAB-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106765158 845247800 /nfs/dbraw/zinc/24/78/00/845247800.db2.gz QFFOMBYCCMJEMU-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106840071 845265801 /nfs/dbraw/zinc/26/58/01/845265801.db2.gz WMSGOQPMRUIQQR-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839572 845265902 /nfs/dbraw/zinc/26/59/02/845265902.db2.gz KBWNMNILBGDCOF-HUUCEWRRSA-N 2 1 351.499 0.609 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874573 845274994 /nfs/dbraw/zinc/27/49/94/845274994.db2.gz LIWBMQODUDPQQZ-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106910692 845285147 /nfs/dbraw/zinc/28/51/47/845285147.db2.gz KCTGIWXTUMYNEO-CHWSQXEVSA-N 2 1 368.507 0.503 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001107040481 845316848 /nfs/dbraw/zinc/31/68/48/845316848.db2.gz GCOJCEVSQUWRMA-BZUAXINKSA-N 2 1 359.536 0.445 20 0 FCADMP COC[C@H](C(=O)OC)[N@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727742 861557480 /nfs/dbraw/zinc/55/74/80/861557480.db2.gz SJUJMTOTSHOZAK-PBHICJAKSA-N 2 1 350.419 0.033 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C1CC1 ZINC001107438793 845372576 /nfs/dbraw/zinc/37/25/76/845372576.db2.gz JAILNLHMYNIMPM-ZIFCJYIRSA-N 2 1 353.507 0.696 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436825 845372939 /nfs/dbraw/zinc/37/29/39/845372939.db2.gz SEJNIGAAZMXWLM-JFIYKMOQSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107522435 845389233 /nfs/dbraw/zinc/38/92/33/845389233.db2.gz AYEYVBMVPQWVAY-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107522435 845389244 /nfs/dbraw/zinc/38/92/44/845389244.db2.gz AYEYVBMVPQWVAY-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521020 845389928 /nfs/dbraw/zinc/38/99/28/845389928.db2.gz HNIOFACNGOBBEA-LZLYRXPVSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107546892 845395730 /nfs/dbraw/zinc/39/57/30/845395730.db2.gz SJESWBOWEBVMNJ-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107546892 845395741 /nfs/dbraw/zinc/39/57/41/845395741.db2.gz SJESWBOWEBVMNJ-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107546892 845395750 /nfs/dbraw/zinc/39/57/50/845395750.db2.gz SJESWBOWEBVMNJ-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107546892 845395761 /nfs/dbraw/zinc/39/57/61/845395761.db2.gz SJESWBOWEBVMNJ-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001107578814 845402564 /nfs/dbraw/zinc/40/25/64/845402564.db2.gz BGPHURBRNLVRGC-IEBWSBKVSA-N 2 1 353.507 0.842 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107578814 845402571 /nfs/dbraw/zinc/40/25/71/845402571.db2.gz BGPHURBRNLVRGC-IEBWSBKVSA-N 2 1 353.507 0.842 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CCOC1)CC2 ZINC001107609485 845407684 /nfs/dbraw/zinc/40/76/84/845407684.db2.gz URWFKKFCQNCKRY-YQVWRLOYSA-N 2 1 353.507 0.962 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632083 845412183 /nfs/dbraw/zinc/41/21/83/845412183.db2.gz PTGKJUNRPYZAIX-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632083 845412188 /nfs/dbraw/zinc/41/21/88/845412188.db2.gz PTGKJUNRPYZAIX-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632083 845412190 /nfs/dbraw/zinc/41/21/90/845412190.db2.gz PTGKJUNRPYZAIX-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442872 845654360 /nfs/dbraw/zinc/65/43/60/845654360.db2.gz KKTMXAYODPXONG-QZWWFDLISA-N 2 1 351.491 0.591 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669108 845709310 /nfs/dbraw/zinc/70/93/10/845709310.db2.gz OJZLZPWFJNQYKY-ORQFMDKSSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669108 845709318 /nfs/dbraw/zinc/70/93/18/845709318.db2.gz OJZLZPWFJNQYKY-ORQFMDKSSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001109724499 845722980 /nfs/dbraw/zinc/72/29/80/845722980.db2.gz VZQURNSLXIFPNJ-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001109724499 845722988 /nfs/dbraw/zinc/72/29/88/845722988.db2.gz VZQURNSLXIFPNJ-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001109724499 845722994 /nfs/dbraw/zinc/72/29/94/845722994.db2.gz VZQURNSLXIFPNJ-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001109724499 845723000 /nfs/dbraw/zinc/72/30/00/845723000.db2.gz VZQURNSLXIFPNJ-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001109797040 845735880 /nfs/dbraw/zinc/73/58/80/845735880.db2.gz QMVUFDOVQHDFAI-MHORFTMASA-N 2 1 353.507 0.981 20 0 FCADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902550 845757173 /nfs/dbraw/zinc/75/71/73/845757173.db2.gz PMGKXXFVNMUJAR-MVJTYMMSSA-N 2 1 353.507 0.980 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001110126402 845801335 /nfs/dbraw/zinc/80/13/35/845801335.db2.gz SUEABPQTRFNQPM-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001110126402 845801341 /nfs/dbraw/zinc/80/13/41/845801341.db2.gz SUEABPQTRFNQPM-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)C1 ZINC001110126402 845801346 /nfs/dbraw/zinc/80/13/46/845801346.db2.gz SUEABPQTRFNQPM-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)C1 ZINC001110126402 845801351 /nfs/dbraw/zinc/80/13/51/845801351.db2.gz SUEABPQTRFNQPM-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110754643 845967650 /nfs/dbraw/zinc/96/76/50/845967650.db2.gz VPWZAWPTKUIXDL-BDXSIMOUSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110754643 845967657 /nfs/dbraw/zinc/96/76/57/845967657.db2.gz VPWZAWPTKUIXDL-BDXSIMOUSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110754643 845967662 /nfs/dbraw/zinc/96/76/62/845967662.db2.gz VPWZAWPTKUIXDL-BDXSIMOUSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953685 846001248 /nfs/dbraw/zinc/00/12/48/846001248.db2.gz DCKQJYTUHCZEKC-OAGGEKHMSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953685 846001252 /nfs/dbraw/zinc/00/12/52/846001252.db2.gz DCKQJYTUHCZEKC-OAGGEKHMSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001111097269 846033532 /nfs/dbraw/zinc/03/35/32/846033532.db2.gz QMVUFDOVQHDFAI-TVFCKZIOSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001111217082 846065022 /nfs/dbraw/zinc/06/50/22/846065022.db2.gz FNNJZKLMGNJASO-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001111233802 846065929 /nfs/dbraw/zinc/06/59/29/846065929.db2.gz WQQPJKADWCCMBU-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001111233802 846065934 /nfs/dbraw/zinc/06/59/34/846065934.db2.gz WQQPJKADWCCMBU-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001111233802 846065942 /nfs/dbraw/zinc/06/59/42/846065942.db2.gz WQQPJKADWCCMBU-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001111234869 846066672 /nfs/dbraw/zinc/06/66/72/846066672.db2.gz SJLHGPJYYGHXCJ-FPCVCCKLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001111234869 846066679 /nfs/dbraw/zinc/06/66/79/846066679.db2.gz SJLHGPJYYGHXCJ-FPCVCCKLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111234869 846066682 /nfs/dbraw/zinc/06/66/82/846066682.db2.gz SJLHGPJYYGHXCJ-FPCVCCKLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111234869 846066689 /nfs/dbraw/zinc/06/66/89/846066689.db2.gz SJLHGPJYYGHXCJ-FPCVCCKLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001111233804 846066811 /nfs/dbraw/zinc/06/68/11/846066811.db2.gz WQQPJKADWCCMBU-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001111233804 846066814 /nfs/dbraw/zinc/06/68/14/846066814.db2.gz WQQPJKADWCCMBU-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001111233804 846066821 /nfs/dbraw/zinc/06/68/21/846066821.db2.gz WQQPJKADWCCMBU-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001111279499 846076682 /nfs/dbraw/zinc/07/66/82/846076682.db2.gz CESBRCYXCODGDX-APIJFGDWSA-N 2 1 361.433 0.710 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@@H]1CC1(F)F ZINC001111279499 846076687 /nfs/dbraw/zinc/07/66/87/846076687.db2.gz CESBRCYXCODGDX-APIJFGDWSA-N 2 1 361.433 0.710 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001111311435 846084230 /nfs/dbraw/zinc/08/42/30/846084230.db2.gz DIWAJCSVMMRFAZ-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001111311435 846084238 /nfs/dbraw/zinc/08/42/38/846084238.db2.gz DIWAJCSVMMRFAZ-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001111311435 846084242 /nfs/dbraw/zinc/08/42/42/846084242.db2.gz DIWAJCSVMMRFAZ-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864424 846235063 /nfs/dbraw/zinc/23/50/63/846235063.db2.gz OZSWNYSSNFEZMQ-LNLFQRSKSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873315 846238981 /nfs/dbraw/zinc/23/89/81/846238981.db2.gz VEZKJJAHBYAQDZ-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873315 846238989 /nfs/dbraw/zinc/23/89/89/846238989.db2.gz VEZKJJAHBYAQDZ-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873315 846238997 /nfs/dbraw/zinc/23/89/97/846238997.db2.gz VEZKJJAHBYAQDZ-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC001111905402 846256415 /nfs/dbraw/zinc/25/64/15/846256415.db2.gz AWBSLRAFAUVOKR-AOIWGVFYSA-N 2 1 351.491 0.716 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC001111905402 846256423 /nfs/dbraw/zinc/25/64/23/846256423.db2.gz AWBSLRAFAUVOKR-AOIWGVFYSA-N 2 1 351.491 0.716 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)CC1 ZINC001111914207 846260032 /nfs/dbraw/zinc/26/00/32/846260032.db2.gz XTVXOXQELQOGRP-HKUYNNGSSA-N 2 1 353.507 0.698 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001111927538 846262802 /nfs/dbraw/zinc/26/28/02/846262802.db2.gz BBKOEJIKPHIHEP-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001111927538 846262808 /nfs/dbraw/zinc/26/28/08/846262808.db2.gz BBKOEJIKPHIHEP-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001111927538 846262813 /nfs/dbraw/zinc/26/28/13/846262813.db2.gz BBKOEJIKPHIHEP-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111926959 846264334 /nfs/dbraw/zinc/26/43/34/846264334.db2.gz REBXIOHFDQWONR-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111926959 846264346 /nfs/dbraw/zinc/26/43/46/846264346.db2.gz REBXIOHFDQWONR-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111926959 846264358 /nfs/dbraw/zinc/26/43/58/846264358.db2.gz REBXIOHFDQWONR-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111925874 846264446 /nfs/dbraw/zinc/26/44/46/846264446.db2.gz NSAFWKSYZWHUQL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111925874 846264454 /nfs/dbraw/zinc/26/44/54/846264454.db2.gz NSAFWKSYZWHUQL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111925874 846264463 /nfs/dbraw/zinc/26/44/63/846264463.db2.gz NSAFWKSYZWHUQL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111925874 846264471 /nfs/dbraw/zinc/26/44/71/846264471.db2.gz NSAFWKSYZWHUQL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCOCC1)C2 ZINC001111939817 846270219 /nfs/dbraw/zinc/27/02/19/846270219.db2.gz UMKQEXGSPGPJJV-HKUYNNGSSA-N 2 1 353.507 0.962 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983860 846279862 /nfs/dbraw/zinc/27/98/62/846279862.db2.gz SSRFZERVQLYKDN-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983860 846279872 /nfs/dbraw/zinc/27/98/72/846279872.db2.gz SSRFZERVQLYKDN-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983860 846279882 /nfs/dbraw/zinc/27/98/82/846279882.db2.gz SSRFZERVQLYKDN-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983860 846279892 /nfs/dbraw/zinc/27/98/92/846279892.db2.gz SSRFZERVQLYKDN-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987018 846282575 /nfs/dbraw/zinc/28/25/75/846282575.db2.gz MUBLUFXODUTCES-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001112003985 846290884 /nfs/dbraw/zinc/29/08/84/846290884.db2.gz ISTWFXRDWZZZRL-HKUYNNGSSA-N 2 1 353.507 0.842 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C1CC1)C2 ZINC001112004839 846291428 /nfs/dbraw/zinc/29/14/28/846291428.db2.gz NGZNYMIYJFJXMH-KXBFYZLASA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001112004839 846291432 /nfs/dbraw/zinc/29/14/32/846291432.db2.gz NGZNYMIYJFJXMH-KXBFYZLASA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001112004839 846291442 /nfs/dbraw/zinc/29/14/42/846291442.db2.gz NGZNYMIYJFJXMH-KXBFYZLASA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005009 846291549 /nfs/dbraw/zinc/29/15/49/846291549.db2.gz SBGSTXOTONCZMJ-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100400 846378911 /nfs/dbraw/zinc/37/89/11/846378911.db2.gz BYBOOMCNVGNAAG-JHJVBQTASA-N 2 1 364.412 0.584 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100400 846378920 /nfs/dbraw/zinc/37/89/20/846378920.db2.gz BYBOOMCNVGNAAG-JHJVBQTASA-N 2 1 364.412 0.584 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001112116157 846393879 /nfs/dbraw/zinc/39/38/79/846393879.db2.gz NPCQYVCTLRJUKS-ZIAGYGMSSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112154507 846422003 /nfs/dbraw/zinc/42/20/03/846422003.db2.gz OQCXXWVGUNCFCD-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112154615 846422508 /nfs/dbraw/zinc/42/25/08/846422508.db2.gz UTVYPKZSFBKYLZ-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112193343 846452705 /nfs/dbraw/zinc/45/27/05/846452705.db2.gz WCYOQTKKFXQKEC-BFHYXJOUSA-N 2 1 367.412 0.316 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1 ZINC001112198129 846456670 /nfs/dbraw/zinc/45/66/70/846456670.db2.gz CEMGGQQITFSNSS-ZIAGYGMSSA-N 2 1 369.428 0.970 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112211883 846468495 /nfs/dbraw/zinc/46/84/95/846468495.db2.gz BBLAQMKDCDQMIV-CHWSQXEVSA-N 2 1 355.401 0.314 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211991 846468713 /nfs/dbraw/zinc/46/87/13/846468713.db2.gz HKDMOIUJZWUYOH-VXGBXAGGSA-N 2 1 352.401 0.442 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211991 846468719 /nfs/dbraw/zinc/46/87/19/846468719.db2.gz HKDMOIUJZWUYOH-VXGBXAGGSA-N 2 1 352.401 0.442 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112212314 846469814 /nfs/dbraw/zinc/46/98/14/846469814.db2.gz YSJRCFXJUGQGRR-JHJVBQTASA-N 2 1 364.412 0.584 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112349979 846495689 /nfs/dbraw/zinc/49/56/89/846495689.db2.gz CNQZHMPJLZHCDT-FCEWJHQRSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112428423 846503122 /nfs/dbraw/zinc/50/31/22/846503122.db2.gz HJRJJCLDUPGSCR-LNLFQRSKSA-N 2 1 353.507 0.698 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112470572 846507717 /nfs/dbraw/zinc/50/77/17/846507717.db2.gz OJSWVNKXUPUZSH-RDJZCZTQSA-N 2 1 368.503 0.454 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112557530 846523238 /nfs/dbraw/zinc/52/32/38/846523238.db2.gz LFMNSYBEOOLYJA-RDJZCZTQSA-N 2 1 359.536 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112578992 846528796 /nfs/dbraw/zinc/52/87/96/846528796.db2.gz QUWNAIPGGVQFNZ-WMZOPIPTSA-N 2 1 350.463 0.419 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001112579109 846529237 /nfs/dbraw/zinc/52/92/37/846529237.db2.gz WVWUESLYYVUWSF-RYRKJORJSA-N 2 1 371.547 0.591 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001116169890 846621407 /nfs/dbraw/zinc/62/14/07/846621407.db2.gz WVMGWQGTXCGNHE-QGZVFWFLSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001117122036 846898617 /nfs/dbraw/zinc/89/86/17/846898617.db2.gz FNRADXBEGDAOKX-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001117122036 846898627 /nfs/dbraw/zinc/89/86/27/846898627.db2.gz FNRADXBEGDAOKX-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001117122036 846898635 /nfs/dbraw/zinc/89/86/35/846898635.db2.gz FNRADXBEGDAOKX-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001118123440 847290088 /nfs/dbraw/zinc/29/00/88/847290088.db2.gz KSLIPDVRQWKABY-HZPDHXFCSA-N 2 1 352.479 0.356 20 0 FCADMP C[NH+](C)CCN1CCC2(CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001277247464 861801691 /nfs/dbraw/zinc/80/16/91/861801691.db2.gz JLUPRHYOWIDPSY-UHFFFAOYSA-N 2 1 351.495 0.230 20 0 FCADMP Cc1cc(F)ncc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277261256 861809451 /nfs/dbraw/zinc/80/94/51/861809451.db2.gz GRIMQQOBNWCLJO-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1cc(F)ncc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277261256 861809469 /nfs/dbraw/zinc/80/94/69/861809469.db2.gz GRIMQQOBNWCLJO-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001120537191 848236801 /nfs/dbraw/zinc/23/68/01/848236801.db2.gz TZVUXKQJFVPITI-FVPDABNVSA-N 2 1 351.495 0.225 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556241 848240505 /nfs/dbraw/zinc/24/05/05/848240505.db2.gz RWYZUNZGEDLKSB-JKSUJKDBSA-N 2 1 352.479 0.404 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001120602490 848251273 /nfs/dbraw/zinc/25/12/73/848251273.db2.gz HTDZMNFPIZPMBG-IRXDYDNUSA-N 2 1 353.438 0.628 20 0 FCADMP CCN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133599 848322084 /nfs/dbraw/zinc/32/20/84/848322084.db2.gz DSWOOFFFOOLCGU-ITFIPKOWSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790439 848638328 /nfs/dbraw/zinc/63/83/28/848638328.db2.gz ZECQLJXZNUKZTI-SJLPKXTDSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659806 848731320 /nfs/dbraw/zinc/73/13/20/848731320.db2.gz LUPIRAAZQSZMMI-UMVBOHGHSA-N 2 1 352.504 0.799 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2cccs2)CC[N@H+]1C ZINC001127653006 848731552 /nfs/dbraw/zinc/73/15/52/848731552.db2.gz JGJKLSOFYVAKIQ-IIAWOOMASA-N 2 1 355.504 0.672 20 0 FCADMP CC(C)n1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659832 848731655 /nfs/dbraw/zinc/73/16/55/848731655.db2.gz MZFQPVRMUWCOQW-ZIAGYGMSSA-N 2 1 350.467 0.449 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653023 848731692 /nfs/dbraw/zinc/73/16/92/848731692.db2.gz JKBPZTUFQAUXMZ-TZMCWYRMSA-N 2 1 350.467 0.021 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)c2ccco2)CC[N@H+]1C ZINC001127701049 848733197 /nfs/dbraw/zinc/73/31/97/848733197.db2.gz GDMUGKGPLYZJPD-QLFBSQMISA-N 2 1 350.463 0.893 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830848 848778670 /nfs/dbraw/zinc/77/86/70/848778670.db2.gz ZTRKTDHYMVMJMZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830848 848778671 /nfs/dbraw/zinc/77/86/71/848778671.db2.gz ZTRKTDHYMVMJMZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830848 848778677 /nfs/dbraw/zinc/77/86/77/848778677.db2.gz ZTRKTDHYMVMJMZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830848 848778680 /nfs/dbraw/zinc/77/86/80/848778680.db2.gz ZTRKTDHYMVMJMZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084685 848805359 /nfs/dbraw/zinc/80/53/59/848805359.db2.gz SMZDWXRSZXIBLU-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084685 848805368 /nfs/dbraw/zinc/80/53/68/848805368.db2.gz SMZDWXRSZXIBLU-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084685 848805372 /nfs/dbraw/zinc/80/53/72/848805372.db2.gz SMZDWXRSZXIBLU-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084685 848805383 /nfs/dbraw/zinc/80/53/83/848805383.db2.gz SMZDWXRSZXIBLU-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090060 848805507 /nfs/dbraw/zinc/80/55/07/848805507.db2.gz SQWAEDYYYSMDSP-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090060 848805511 /nfs/dbraw/zinc/80/55/11/848805511.db2.gz SQWAEDYYYSMDSP-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090060 848805512 /nfs/dbraw/zinc/80/55/12/848805512.db2.gz SQWAEDYYYSMDSP-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090060 848805518 /nfs/dbraw/zinc/80/55/18/848805518.db2.gz SQWAEDYYYSMDSP-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090060 848805522 /nfs/dbraw/zinc/80/55/22/848805522.db2.gz SQWAEDYYYSMDSP-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129090471 848806869 /nfs/dbraw/zinc/80/68/69/848806869.db2.gz ZHDQOQJESCBFOX-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129090471 848806870 /nfs/dbraw/zinc/80/68/70/848806870.db2.gz ZHDQOQJESCBFOX-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129090471 848806879 /nfs/dbraw/zinc/80/68/79/848806879.db2.gz ZHDQOQJESCBFOX-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129090471 848806886 /nfs/dbraw/zinc/80/68/86/848806886.db2.gz ZHDQOQJESCBFOX-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220490 848819308 /nfs/dbraw/zinc/81/93/08/848819308.db2.gz XPEMPFNISGYZPS-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228082 848819404 /nfs/dbraw/zinc/81/94/04/848819404.db2.gz BDCWFPBZINSWFB-CVEARBPZSA-N 2 1 352.483 0.244 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228082 848819409 /nfs/dbraw/zinc/81/94/09/848819409.db2.gz BDCWFPBZINSWFB-CVEARBPZSA-N 2 1 352.483 0.244 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276610 848824828 /nfs/dbraw/zinc/82/48/28/848824828.db2.gz OBVAAVVTGNTOOQ-CABCVRRESA-N 2 1 352.483 0.244 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276610 848824836 /nfs/dbraw/zinc/82/48/36/848824836.db2.gz OBVAAVVTGNTOOQ-CABCVRRESA-N 2 1 352.483 0.244 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276610 848824843 /nfs/dbraw/zinc/82/48/43/848824843.db2.gz OBVAAVVTGNTOOQ-CABCVRRESA-N 2 1 352.483 0.244 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276610 848824848 /nfs/dbraw/zinc/82/48/48/848824848.db2.gz OBVAAVVTGNTOOQ-CABCVRRESA-N 2 1 352.483 0.244 20 0 FCADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384778 848838045 /nfs/dbraw/zinc/83/80/45/848838045.db2.gz AWCOOEGLOJSXMY-CVEARBPZSA-N 2 1 352.483 0.244 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129400520 848840140 /nfs/dbraw/zinc/84/01/40/848840140.db2.gz QYWRBJXFTKPSRY-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129400520 848840144 /nfs/dbraw/zinc/84/01/44/848840144.db2.gz QYWRBJXFTKPSRY-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129400520 848840148 /nfs/dbraw/zinc/84/01/48/848840148.db2.gz QYWRBJXFTKPSRY-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129884696 848907699 /nfs/dbraw/zinc/90/76/99/848907699.db2.gz RAVIDMICWIMCBD-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](n2ccnn2)C1 ZINC001129992320 848927858 /nfs/dbraw/zinc/92/78/58/848927858.db2.gz YOHDSFBKSRXKJA-NEPJUHHUSA-N 2 1 361.277 0.890 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130014237 848930676 /nfs/dbraw/zinc/93/06/76/848930676.db2.gz FXJWUMBRAYZJLU-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001130184711 848963094 /nfs/dbraw/zinc/96/30/94/848963094.db2.gz XLALSVVDHRTHOM-IUODEOHRSA-N 2 1 368.503 0.098 20 0 FCADMP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001130184711 848963100 /nfs/dbraw/zinc/96/31/00/848963100.db2.gz XLALSVVDHRTHOM-IUODEOHRSA-N 2 1 368.503 0.098 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)O1 ZINC001130184525 848963401 /nfs/dbraw/zinc/96/34/01/848963401.db2.gz UNJIGHWDALUPDB-HFBAOOFYSA-N 2 1 357.401 0.423 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)O1 ZINC001130184525 848963406 /nfs/dbraw/zinc/96/34/06/848963406.db2.gz UNJIGHWDALUPDB-HFBAOOFYSA-N 2 1 357.401 0.423 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cccc(F)c2)O1 ZINC001130184554 848963451 /nfs/dbraw/zinc/96/34/51/848963451.db2.gz VBUYRRAGRPDKBF-IUODEOHRSA-N 2 1 352.410 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cccc(F)c2)O1 ZINC001130184554 848963456 /nfs/dbraw/zinc/96/34/56/848963456.db2.gz VBUYRRAGRPDKBF-IUODEOHRSA-N 2 1 352.410 0.189 20 0 FCADMP CC[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184522 848963798 /nfs/dbraw/zinc/96/37/98/848963798.db2.gz UIIDSGUTBBQQPY-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184522 848963800 /nfs/dbraw/zinc/96/38/00/848963800.db2.gz UIIDSGUTBBQQPY-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC)C1 ZINC001130719395 849029152 /nfs/dbraw/zinc/02/91/52/849029152.db2.gz NKXJSLVHQJNLMW-DOTOQJQBSA-N 2 1 351.495 0.682 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131101103 849079828 /nfs/dbraw/zinc/07/98/28/849079828.db2.gz MUVFIZUJKFBPBM-ARFHVFGLSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131115166 849080517 /nfs/dbraw/zinc/08/05/17/849080517.db2.gz AXATZJJDBWCGQM-ARFHVFGLSA-N 2 1 351.495 0.681 20 0 FCADMP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313072 849093689 /nfs/dbraw/zinc/09/36/89/849093689.db2.gz GRFBGEHBYDWXKP-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316274 849095177 /nfs/dbraw/zinc/09/51/77/849095177.db2.gz DBDVORQTHMTFNO-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131316274 849095185 /nfs/dbraw/zinc/09/51/85/849095185.db2.gz DBDVORQTHMTFNO-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131316274 849095194 /nfs/dbraw/zinc/09/51/94/849095194.db2.gz DBDVORQTHMTFNO-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP COCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361931 849097109 /nfs/dbraw/zinc/09/71/09/849097109.db2.gz GNULPEAPWWBACD-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361931 849097117 /nfs/dbraw/zinc/09/71/17/849097117.db2.gz GNULPEAPWWBACD-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361931 849097120 /nfs/dbraw/zinc/09/71/20/849097120.db2.gz GNULPEAPWWBACD-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361931 849097130 /nfs/dbraw/zinc/09/71/30/849097130.db2.gz GNULPEAPWWBACD-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131596957 849128666 /nfs/dbraw/zinc/12/86/66/849128666.db2.gz CSCOHFZOLQQPNA-UNEWFSDZSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131608434 849130490 /nfs/dbraw/zinc/13/04/90/849130490.db2.gz ANUAPBOEGRHLRM-LXZKKBNFSA-N 2 1 354.495 0.186 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001137148851 849257009 /nfs/dbraw/zinc/25/70/09/849257009.db2.gz ULWPQDRVQVXJQK-SJORKVTESA-N 2 1 350.507 0.763 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cnc(N3CC[NH+](C)CC3)s1)C2 ZINC001139321487 849335949 /nfs/dbraw/zinc/33/59/49/849335949.db2.gz HJYHNFNUGNCSFS-GUYCJALGSA-N 2 1 366.487 0.516 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)s1)C2 ZINC001139321487 849335960 /nfs/dbraw/zinc/33/59/60/849335960.db2.gz HJYHNFNUGNCSFS-GUYCJALGSA-N 2 1 366.487 0.516 20 0 FCADMP COCCn1cc(CN2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cn1 ZINC001139779911 849347849 /nfs/dbraw/zinc/34/78/49/849347849.db2.gz ILDGJFZFXDNFOZ-QZTJIDSGSA-N 2 1 352.479 0.699 20 0 FCADMP COCCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)cn1 ZINC001139779911 849347856 /nfs/dbraw/zinc/34/78/56/849347856.db2.gz ILDGJFZFXDNFOZ-QZTJIDSGSA-N 2 1 352.479 0.699 20 0 FCADMP COCCn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)cn1 ZINC001139779911 849347863 /nfs/dbraw/zinc/34/78/63/849347863.db2.gz ILDGJFZFXDNFOZ-QZTJIDSGSA-N 2 1 352.479 0.699 20 0 FCADMP COCCn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)cn1 ZINC001139779911 849347866 /nfs/dbraw/zinc/34/78/66/849347866.db2.gz ILDGJFZFXDNFOZ-QZTJIDSGSA-N 2 1 352.479 0.699 20 0 FCADMP COCCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cn1 ZINC001139779911 849347869 /nfs/dbraw/zinc/34/78/69/849347869.db2.gz ILDGJFZFXDNFOZ-QZTJIDSGSA-N 2 1 352.479 0.699 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)no1 ZINC001143140270 849476856 /nfs/dbraw/zinc/47/68/56/849476856.db2.gz LLSLBNBNRAKCND-ZDUSSCGKSA-N 2 1 352.435 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(C)(C)C)C3)CC[N@H+]1C ZINC001147583803 849585978 /nfs/dbraw/zinc/58/59/78/849585978.db2.gz WHHFMSJJGRYXIL-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(C)(C)C)C3)CC[NH+]1C ZINC001147583803 849585984 /nfs/dbraw/zinc/58/59/84/849585984.db2.gz WHHFMSJJGRYXIL-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(C)(C)C)C3)CC[NH+]1C ZINC001147583803 849585993 /nfs/dbraw/zinc/58/59/93/849585993.db2.gz WHHFMSJJGRYXIL-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583828 849586425 /nfs/dbraw/zinc/58/64/25/849586425.db2.gz XJABLFFDPGEUOG-ARFHVFGLSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583828 849586437 /nfs/dbraw/zinc/58/64/37/849586437.db2.gz XJABLFFDPGEUOG-ARFHVFGLSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583828 849586444 /nfs/dbraw/zinc/58/64/44/849586444.db2.gz XJABLFFDPGEUOG-ARFHVFGLSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583828 849586454 /nfs/dbraw/zinc/58/64/54/849586454.db2.gz XJABLFFDPGEUOG-ARFHVFGLSA-N 2 1 371.547 0.542 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cnc(C)[nH]3)C2)C1=O)OC ZINC001277732703 862044282 /nfs/dbraw/zinc/04/42/82/862044282.db2.gz HRLFUYWEKWIXSW-QGZVFWFLSA-N 2 1 350.419 0.678 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCCN(Cc3c[nH]c(C)n3)C2)C1=O)OC ZINC001277732703 862044295 /nfs/dbraw/zinc/04/42/95/862044295.db2.gz HRLFUYWEKWIXSW-QGZVFWFLSA-N 2 1 350.419 0.678 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001151132726 849679489 /nfs/dbraw/zinc/67/94/89/849679489.db2.gz UOVFVILNBJOUFO-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001151132726 849679495 /nfs/dbraw/zinc/67/94/95/849679495.db2.gz UOVFVILNBJOUFO-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@H+](CC(=O)NCCCOC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451504 849745998 /nfs/dbraw/zinc/74/59/98/849745998.db2.gz FORMVXIUDXIWMS-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](CC(=O)NCCCOC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451504 849746003 /nfs/dbraw/zinc/74/60/03/849746003.db2.gz FORMVXIUDXIWMS-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CC(=O)NCCCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451504 849746008 /nfs/dbraw/zinc/74/60/08/849746008.db2.gz FORMVXIUDXIWMS-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CC(=O)NCCCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451504 849746011 /nfs/dbraw/zinc/74/60/11/849746011.db2.gz FORMVXIUDXIWMS-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCNS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc1 ZINC001155384933 849850011 /nfs/dbraw/zinc/85/00/11/849850011.db2.gz YLFQUFHKLSGAHD-AWEZNQCLSA-N 2 1 353.492 0.239 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3nc(Cl)ncc3N3CCOCC3)C2)C1 ZINC001155375965 849850607 /nfs/dbraw/zinc/85/06/07/849850607.db2.gz JHYLQSTVLWBCAP-CQSZACIVSA-N 2 1 366.897 0.826 20 0 FCADMP CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124161 850019795 /nfs/dbraw/zinc/01/97/95/850019795.db2.gz JZPNKOUQNBKZNM-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124161 850019802 /nfs/dbraw/zinc/01/98/02/850019802.db2.gz JZPNKOUQNBKZNM-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001158379536 850041610 /nfs/dbraw/zinc/04/16/10/850041610.db2.gz BQPIJUYTVOJRGW-QJPTWQEYSA-N 2 1 352.401 0.490 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001158381153 850042505 /nfs/dbraw/zinc/04/25/05/850042505.db2.gz YRZMAEXWOJIVIH-SQWLQELKSA-N 2 1 350.463 0.720 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380290 850042550 /nfs/dbraw/zinc/04/25/50/850042550.db2.gz OWPLJWBMBRZDAU-MGPQQGTHSA-N 2 1 355.483 0.045 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC001158380130 850042590 /nfs/dbraw/zinc/04/25/90/850042590.db2.gz COYMDMUMHQBZMT-BIMULSAOSA-N 2 1 367.393 0.193 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001158389378 850045369 /nfs/dbraw/zinc/04/53/69/850045369.db2.gz BTUINILINVCCQN-BFHYXJOUSA-N 2 1 351.451 0.746 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001158403206 850046596 /nfs/dbraw/zinc/04/65/96/850046596.db2.gz BGGUKPUELZNBDU-LSDHHAIUSA-N 2 1 359.536 0.637 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])c1ccsc1)CC2 ZINC001158890556 850083242 /nfs/dbraw/zinc/08/32/42/850083242.db2.gz HIBGLWBUJGWHDI-HNNXBMFYSA-N 2 1 350.488 0.951 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])c1ccsc1)CC2 ZINC001158890556 850083250 /nfs/dbraw/zinc/08/32/50/850083250.db2.gz HIBGLWBUJGWHDI-HNNXBMFYSA-N 2 1 350.488 0.951 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]1(N)CCC[NH2+]C1)C2 ZINC001159481358 850118163 /nfs/dbraw/zinc/11/81/63/850118163.db2.gz LYMUYBFNZJEGGL-QRQLOZEOSA-N 2 1 350.507 0.274 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853934 850141321 /nfs/dbraw/zinc/14/13/21/850141321.db2.gz CJTSXNBCOLNEIF-PVAVHDDUSA-N 3 1 350.438 0.556 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853934 850141327 /nfs/dbraw/zinc/14/13/27/850141327.db2.gz CJTSXNBCOLNEIF-PVAVHDDUSA-N 2 1 350.438 0.556 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175334 850156620 /nfs/dbraw/zinc/15/66/20/850156620.db2.gz MHKZMNYVGUGGBI-NVXWUHKLSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175334 850156629 /nfs/dbraw/zinc/15/66/29/850156629.db2.gz MHKZMNYVGUGGBI-NVXWUHKLSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175334 850156632 /nfs/dbraw/zinc/15/66/32/850156632.db2.gz MHKZMNYVGUGGBI-NVXWUHKLSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175334 850156640 /nfs/dbraw/zinc/15/66/40/850156640.db2.gz MHKZMNYVGUGGBI-NVXWUHKLSA-N 2 1 350.507 0.990 20 0 FCADMP [NH3+]C[C@]1(Nc2nc(Cl)ncc2N2CCOCC2)C[NH+]2CCC1CC2 ZINC001160512995 850177540 /nfs/dbraw/zinc/17/75/40/850177540.db2.gz HXYMHHMVZIRUMP-INIZCTEOSA-N 2 1 352.870 0.802 20 0 FCADMP CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160786756 850198175 /nfs/dbraw/zinc/19/81/75/850198175.db2.gz HYFHIYXZRRRAEP-SWLSCSKDSA-N 2 1 351.451 0.458 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2ccc(F)cc2)O1 ZINC001160857747 850206863 /nfs/dbraw/zinc/20/68/63/850206863.db2.gz OPEKZSNMKFLKMH-XOKHGSTOSA-N 2 1 353.438 0.674 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2ccc(F)cc2)O1 ZINC001160857747 850206875 /nfs/dbraw/zinc/20/68/75/850206875.db2.gz OPEKZSNMKFLKMH-XOKHGSTOSA-N 2 1 353.438 0.674 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160858003 850207413 /nfs/dbraw/zinc/20/74/13/850207413.db2.gz WADVJWSBGKNWJB-ZIAGYGMSSA-N 2 1 356.492 0.033 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160858003 850207420 /nfs/dbraw/zinc/20/74/20/850207420.db2.gz WADVJWSBGKNWJB-ZIAGYGMSSA-N 2 1 356.492 0.033 20 0 FCADMP C[C@]1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161197715 850238660 /nfs/dbraw/zinc/23/86/60/850238660.db2.gz CTVBEEPWUOHMNO-IBGZPJMESA-N 3 1 352.523 0.537 20 0 FCADMP O=C([C@@H]1CSC[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196317 850238783 /nfs/dbraw/zinc/23/87/83/850238783.db2.gz CNLKZAYBAGGOCV-INIZCTEOSA-N 2 1 356.536 0.199 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378249 850255471 /nfs/dbraw/zinc/25/54/71/850255471.db2.gz KYUZIQBGHBUSMN-SZVBFZGTSA-N 3 1 350.507 0.559 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834958 862123316 /nfs/dbraw/zinc/12/33/16/862123316.db2.gz KBIGVAOFTMSMKN-AEFFLSMTSA-N 2 1 350.463 0.802 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001164582415 850417681 /nfs/dbraw/zinc/41/76/81/850417681.db2.gz LBJDIKXRWOFHIJ-MCIONIFRSA-N 2 1 350.463 0.008 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001169111898 850605823 /nfs/dbraw/zinc/60/58/23/850605823.db2.gz QUHOEQHILUBDPT-BCDXTJNWSA-N 3 1 359.511 0.226 20 0 FCADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001169111898 850605826 /nfs/dbraw/zinc/60/58/26/850605826.db2.gz QUHOEQHILUBDPT-BCDXTJNWSA-N 2 1 359.511 0.226 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2C[C@H](C(=O)OC)C[C@H](C(=O)OC)C2)CC1 ZINC001172256170 850710250 /nfs/dbraw/zinc/71/02/50/850710250.db2.gz RIMLLHLIHGRYPH-GASCZTMLSA-N 2 1 356.463 0.771 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](C(=O)OC)C[C@H](C(=O)OC)C2)CC1 ZINC001172256170 850710262 /nfs/dbraw/zinc/71/02/62/850710262.db2.gz RIMLLHLIHGRYPH-GASCZTMLSA-N 2 1 356.463 0.771 20 0 FCADMP C[NH+]1CCN(C2C[NH+](C3CCN(CC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001172894787 850715021 /nfs/dbraw/zinc/71/50/21/850715021.db2.gz ZYYZQUVXUIWPSB-UHFFFAOYSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CC[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C1 ZINC001173365208 850721698 /nfs/dbraw/zinc/72/16/98/850721698.db2.gz ZMOFBWFKRVEDFP-HRCADAONSA-N 2 1 355.508 0.049 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCC[NH2+]CC(N)=O)CC2CCCC2)O1 ZINC001177349019 850842420 /nfs/dbraw/zinc/84/24/20/850842420.db2.gz UVEZLMYQMLAGGW-GDBMZVCRSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCC[NH2+]CC(N)=O)CC2CCCC2)O1 ZINC001177349019 850842431 /nfs/dbraw/zinc/84/24/31/850842431.db2.gz UVEZLMYQMLAGGW-GDBMZVCRSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCOCC(F)(F)F)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178981673 850943152 /nfs/dbraw/zinc/94/31/52/850943152.db2.gz BHEFRKVEVULCKN-ZOBORPQBSA-N 2 1 367.412 0.863 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCOCC(F)(F)F)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178981673 850943156 /nfs/dbraw/zinc/94/31/56/850943156.db2.gz BHEFRKVEVULCKN-ZOBORPQBSA-N 2 1 367.412 0.863 20 0 FCADMP CC(C)N1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001180346648 851026602 /nfs/dbraw/zinc/02/66/02/851026602.db2.gz CXXFVIACYSPSQL-UHFFFAOYSA-N 2 1 355.571 0.744 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCCCP(CCC[NH3+])c2ccccc2)C1 ZINC001180762289 851064857 /nfs/dbraw/zinc/06/48/57/851064857.db2.gz LCVQYSGFSJOPPI-KEJDIYNNSA-N 2 1 351.431 0.980 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCCCP(CCC[NH3+])c2ccccc2)C1 ZINC001180762289 851064873 /nfs/dbraw/zinc/06/48/73/851064873.db2.gz LCVQYSGFSJOPPI-KEJDIYNNSA-N 2 1 351.431 0.980 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001181518661 851116749 /nfs/dbraw/zinc/11/67/49/851116749.db2.gz YHUGSDCJWFJRRH-YYAJDYIMSA-N 2 1 352.523 0.879 20 0 FCADMP CNC(=O)C[NH+]1CCCC12CCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001181976586 851143517 /nfs/dbraw/zinc/14/35/17/851143517.db2.gz XLQQCPRQSFLGHH-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+]CCCP(CCCNC(=O)C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC001186055993 851408202 /nfs/dbraw/zinc/40/82/02/851408202.db2.gz AKVUNHNWWQARLM-FXIRQEPWSA-N 2 1 351.431 0.716 20 0 FCADMP [NH3+]CCCP(CCCNC(=O)C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC001186055993 851408208 /nfs/dbraw/zinc/40/82/08/851408208.db2.gz AKVUNHNWWQARLM-FXIRQEPWSA-N 2 1 351.431 0.716 20 0 FCADMP CCOC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278204939 862254341 /nfs/dbraw/zinc/25/43/41/862254341.db2.gz SSCONOUSKPZNQB-GOSISDBHSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](COCCOC)C[C@H]12 ZINC001278208503 862255075 /nfs/dbraw/zinc/25/50/75/862255075.db2.gz XILGXHJQKACBLW-HZPDHXFCSA-N 2 1 355.479 0.156 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188313787 851669129 /nfs/dbraw/zinc/66/91/29/851669129.db2.gz DBHKJJBEHHWNAB-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188313787 851669132 /nfs/dbraw/zinc/66/91/32/851669132.db2.gz DBHKJJBEHHWNAB-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC1 ZINC001189017920 851743506 /nfs/dbraw/zinc/74/35/06/851743506.db2.gz ARTJWSTUSOOSQN-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC1 ZINC001189017920 851743511 /nfs/dbraw/zinc/74/35/11/851743511.db2.gz ARTJWSTUSOOSQN-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189055649 851746099 /nfs/dbraw/zinc/74/60/99/851746099.db2.gz YNSLBLXTAKARFG-JKSUJKDBSA-N 2 1 357.520 0.296 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127277 851755884 /nfs/dbraw/zinc/75/58/84/851755884.db2.gz QUWKJKISSMUZGC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127277 851755895 /nfs/dbraw/zinc/75/58/95/851755895.db2.gz QUWKJKISSMUZGC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127277 851755904 /nfs/dbraw/zinc/75/59/04/851755904.db2.gz QUWKJKISSMUZGC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127277 851755912 /nfs/dbraw/zinc/75/59/12/851755912.db2.gz QUWKJKISSMUZGC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189151208 851760092 /nfs/dbraw/zinc/76/00/92/851760092.db2.gz BSZNXAOCEAJORI-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189151208 851760095 /nfs/dbraw/zinc/76/00/95/851760095.db2.gz BSZNXAOCEAJORI-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189151208 851760099 /nfs/dbraw/zinc/76/00/99/851760099.db2.gz BSZNXAOCEAJORI-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189151208 851760104 /nfs/dbraw/zinc/76/01/04/851760104.db2.gz BSZNXAOCEAJORI-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189484088 851795188 /nfs/dbraw/zinc/79/51/88/851795188.db2.gz BOXGPJPORKCDEG-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189485427 851795610 /nfs/dbraw/zinc/79/56/10/851795610.db2.gz WZQJMHKFYGQXED-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667593 851812531 /nfs/dbraw/zinc/81/25/31/851812531.db2.gz GYAJLHVKWUXXBA-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667593 851812534 /nfs/dbraw/zinc/81/25/34/851812534.db2.gz GYAJLHVKWUXXBA-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667593 851812537 /nfs/dbraw/zinc/81/25/37/851812537.db2.gz GYAJLHVKWUXXBA-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667593 851812540 /nfs/dbraw/zinc/81/25/40/851812540.db2.gz GYAJLHVKWUXXBA-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189794886 851824617 /nfs/dbraw/zinc/82/46/17/851824617.db2.gz ZWZXGFKBHPYILQ-LSDHHAIUSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189794886 851824624 /nfs/dbraw/zinc/82/46/24/851824624.db2.gz ZWZXGFKBHPYILQ-LSDHHAIUSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001278277262 862287814 /nfs/dbraw/zinc/28/78/14/862287814.db2.gz VYJNNXBMXWLEIR-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001278277262 862287828 /nfs/dbraw/zinc/28/78/28/862287828.db2.gz VYJNNXBMXWLEIR-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189922986 851842722 /nfs/dbraw/zinc/84/27/22/851842722.db2.gz IHCUWMLYVSZVGN-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189922986 851842732 /nfs/dbraw/zinc/84/27/32/851842732.db2.gz IHCUWMLYVSZVGN-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189922986 851842736 /nfs/dbraw/zinc/84/27/36/851842736.db2.gz IHCUWMLYVSZVGN-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189923631 851843308 /nfs/dbraw/zinc/84/33/08/851843308.db2.gz URVAOSHWBZPNAO-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189923631 851843312 /nfs/dbraw/zinc/84/33/12/851843312.db2.gz URVAOSHWBZPNAO-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189923631 851843317 /nfs/dbraw/zinc/84/33/17/851843317.db2.gz URVAOSHWBZPNAO-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189923631 851843320 /nfs/dbraw/zinc/84/33/20/851843320.db2.gz URVAOSHWBZPNAO-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(=O)NCCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237410 851881264 /nfs/dbraw/zinc/88/12/64/851881264.db2.gz BLWMCJWKSCUFSK-DJIMGWMZSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281458 851888640 /nfs/dbraw/zinc/88/86/40/851888640.db2.gz INRKDEDECWUOLJ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281458 851888646 /nfs/dbraw/zinc/88/86/46/851888646.db2.gz INRKDEDECWUOLJ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281458 851888648 /nfs/dbraw/zinc/88/86/48/851888648.db2.gz INRKDEDECWUOLJ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281458 851888652 /nfs/dbraw/zinc/88/86/52/851888652.db2.gz INRKDEDECWUOLJ-KSZLIROESA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325125 851891390 /nfs/dbraw/zinc/89/13/90/851891390.db2.gz SRNBZZNCAYOSEU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325125 851891395 /nfs/dbraw/zinc/89/13/95/851891395.db2.gz SRNBZZNCAYOSEU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001190350339 851895534 /nfs/dbraw/zinc/89/55/34/851895534.db2.gz AVZMJMOLAIOEDI-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001190350339 851895539 /nfs/dbraw/zinc/89/55/39/851895539.db2.gz AVZMJMOLAIOEDI-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001190350339 851895545 /nfs/dbraw/zinc/89/55/45/851895545.db2.gz AVZMJMOLAIOEDI-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001190350339 851895548 /nfs/dbraw/zinc/89/55/48/851895548.db2.gz AVZMJMOLAIOEDI-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371103 851899324 /nfs/dbraw/zinc/89/93/24/851899324.db2.gz NSXKRRLECLMWJB-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371103 851899331 /nfs/dbraw/zinc/89/93/31/851899331.db2.gz NSXKRRLECLMWJB-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371103 851899338 /nfs/dbraw/zinc/89/93/38/851899338.db2.gz NSXKRRLECLMWJB-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371103 851899342 /nfs/dbraw/zinc/89/93/42/851899342.db2.gz NSXKRRLECLMWJB-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CCC4)CC3)[C@@H]2C1 ZINC001278471347 862341987 /nfs/dbraw/zinc/34/19/87/862341987.db2.gz NSWBUSZBHLWJOO-IAGOWNOFSA-N 2 1 351.491 0.919 20 0 FCADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192990243 852332000 /nfs/dbraw/zinc/33/20/00/852332000.db2.gz WNXMQGXNTPOCKJ-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192990243 852332014 /nfs/dbraw/zinc/33/20/14/852332014.db2.gz WNXMQGXNTPOCKJ-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192990243 852332026 /nfs/dbraw/zinc/33/20/26/852332026.db2.gz WNXMQGXNTPOCKJ-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001193738106 852479634 /nfs/dbraw/zinc/47/96/34/852479634.db2.gz NFSSSCJYIXXBGL-RBSFLKMASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001193738106 852479638 /nfs/dbraw/zinc/47/96/38/852479638.db2.gz NFSSSCJYIXXBGL-RBSFLKMASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193738106 852479642 /nfs/dbraw/zinc/47/96/42/852479642.db2.gz NFSSSCJYIXXBGL-RBSFLKMASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193738106 852479643 /nfs/dbraw/zinc/47/96/43/852479643.db2.gz NFSSSCJYIXXBGL-RBSFLKMASA-N 2 1 363.449 0.692 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)s1 ZINC001193754830 852482050 /nfs/dbraw/zinc/48/20/50/852482050.db2.gz BYALAUKODFROBN-IIAWOOMASA-N 2 1 352.504 0.761 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832942 852658836 /nfs/dbraw/zinc/65/88/36/852658836.db2.gz WTARIEISJXOMLI-YLADIXGZSA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001194832942 852658841 /nfs/dbraw/zinc/65/88/41/852658841.db2.gz WTARIEISJXOMLI-YLADIXGZSA-N 2 1 355.454 0.151 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006507 852692124 /nfs/dbraw/zinc/69/21/24/852692124.db2.gz KCFMEXPAQUGHSN-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001195677228 852811642 /nfs/dbraw/zinc/81/16/42/852811642.db2.gz OQRQCNWHUVQVKD-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C(C)C ZINC001195870723 852837559 /nfs/dbraw/zinc/83/75/59/852837559.db2.gz KRFPIYAGTBYAFB-ARFHVFGLSA-N 2 1 356.511 0.133 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C(C)C ZINC001195870723 852837569 /nfs/dbraw/zinc/83/75/69/852837569.db2.gz KRFPIYAGTBYAFB-ARFHVFGLSA-N 2 1 356.511 0.133 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308192 852935801 /nfs/dbraw/zinc/93/58/01/852935801.db2.gz YCGVKBFQOYVBPS-DJIMGWMZSA-N 2 1 367.515 0.910 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308192 852935808 /nfs/dbraw/zinc/93/58/08/852935808.db2.gz YCGVKBFQOYVBPS-DJIMGWMZSA-N 2 1 367.515 0.910 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519030 852971042 /nfs/dbraw/zinc/97/10/42/852971042.db2.gz JURCSRMHJYJSFY-HZPDHXFCSA-N 2 1 352.479 0.983 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519030 852971047 /nfs/dbraw/zinc/97/10/47/852971047.db2.gz JURCSRMHJYJSFY-HZPDHXFCSA-N 2 1 352.479 0.983 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001197404891 853110422 /nfs/dbraw/zinc/11/04/22/853110422.db2.gz VYTVLAKSYJPEST-HUUCEWRRSA-N 2 1 363.449 0.550 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001197404891 853110427 /nfs/dbraw/zinc/11/04/27/853110427.db2.gz VYTVLAKSYJPEST-HUUCEWRRSA-N 2 1 363.449 0.550 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001197404154 853110489 /nfs/dbraw/zinc/11/04/89/853110489.db2.gz PDJNUTFZIRUYEP-QZTJIDSGSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001197404154 853110495 /nfs/dbraw/zinc/11/04/95/853110495.db2.gz PDJNUTFZIRUYEP-QZTJIDSGSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782023 853160846 /nfs/dbraw/zinc/16/08/46/853160846.db2.gz DWBICWHLFZIBDK-IAGOWNOFSA-N 2 1 353.438 0.374 20 0 FCADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197782023 853160851 /nfs/dbraw/zinc/16/08/51/853160851.db2.gz DWBICWHLFZIBDK-IAGOWNOFSA-N 2 1 353.438 0.374 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1O ZINC001197826221 853168602 /nfs/dbraw/zinc/16/86/02/853168602.db2.gz RDGHIMDXSQJNIL-RRFJBIMHSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198047476 853211300 /nfs/dbraw/zinc/21/13/00/853211300.db2.gz OBJCVJPSBHIQPO-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198047476 853211309 /nfs/dbraw/zinc/21/13/09/853211309.db2.gz OBJCVJPSBHIQPO-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198047476 853211315 /nfs/dbraw/zinc/21/13/15/853211315.db2.gz OBJCVJPSBHIQPO-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001199018144 853355246 /nfs/dbraw/zinc/35/52/46/853355246.db2.gz PQURVNZURLOVTH-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128448 853376053 /nfs/dbraw/zinc/37/60/53/853376053.db2.gz REBQDQZSJSONKW-BRWVUGGUSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128448 853376062 /nfs/dbraw/zinc/37/60/62/853376062.db2.gz REBQDQZSJSONKW-BRWVUGGUSA-N 2 1 366.531 0.967 20 0 FCADMP CC[N@H+]1CCO[C@@H]2CN(C(=S)NCCCN3CCOCC3)C[C@@H]2C1 ZINC001199942604 853464619 /nfs/dbraw/zinc/46/46/19/853464619.db2.gz PJOLGVQDQGMDHE-JKSUJKDBSA-N 2 1 356.536 0.236 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205519627 853619964 /nfs/dbraw/zinc/61/99/64/853619964.db2.gz XZVBKNVHZAYZRZ-DLBZAZTESA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)O1 ZINC001205519212 853620419 /nfs/dbraw/zinc/62/04/19/853620419.db2.gz ZWTVLEJAXGTKBE-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)O1 ZINC001205519212 853620420 /nfs/dbraw/zinc/62/04/20/853620420.db2.gz ZWTVLEJAXGTKBE-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955354 853764085 /nfs/dbraw/zinc/76/40/85/853764085.db2.gz RJWBOALKKUQOPH-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955354 853764090 /nfs/dbraw/zinc/76/40/90/853764090.db2.gz RJWBOALKKUQOPH-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955354 853764097 /nfs/dbraw/zinc/76/40/97/853764097.db2.gz RJWBOALKKUQOPH-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955354 853764102 /nfs/dbraw/zinc/76/41/02/853764102.db2.gz RJWBOALKKUQOPH-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993542 853778683 /nfs/dbraw/zinc/77/86/83/853778683.db2.gz XSOWTAGCCOBLEW-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993542 853778688 /nfs/dbraw/zinc/77/86/88/853778688.db2.gz XSOWTAGCCOBLEW-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993542 853778693 /nfs/dbraw/zinc/77/86/93/853778693.db2.gz XSOWTAGCCOBLEW-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993542 853778699 /nfs/dbraw/zinc/77/86/99/853778699.db2.gz XSOWTAGCCOBLEW-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001207231597 853793218 /nfs/dbraw/zinc/79/32/18/853793218.db2.gz MEHOMSPQMBHYOZ-OWCLPIDISA-N 2 1 356.486 0.725 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336412 853806109 /nfs/dbraw/zinc/80/61/09/853806109.db2.gz JLUWMXRCHOBGHW-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336412 853806115 /nfs/dbraw/zinc/80/61/15/853806115.db2.gz JLUWMXRCHOBGHW-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336412 853806118 /nfs/dbraw/zinc/80/61/18/853806118.db2.gz JLUWMXRCHOBGHW-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336412 853806120 /nfs/dbraw/zinc/80/61/20/853806120.db2.gz JLUWMXRCHOBGHW-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP O=C([C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC12CCOCC2)N1CCOCC1 ZINC001207435257 853811925 /nfs/dbraw/zinc/81/19/25/853811925.db2.gz BMFCSFKZOYPPND-QGZVFWFLSA-N 2 1 351.491 0.573 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545140 853822009 /nfs/dbraw/zinc/82/20/09/853822009.db2.gz HIVYEGZKPPTQMP-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545140 853822011 /nfs/dbraw/zinc/82/20/11/853822011.db2.gz HIVYEGZKPPTQMP-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567849 853827036 /nfs/dbraw/zinc/82/70/36/853827036.db2.gz CJNQPDAACPYDFQ-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567849 853827043 /nfs/dbraw/zinc/82/70/43/853827043.db2.gz CJNQPDAACPYDFQ-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567849 853827051 /nfs/dbraw/zinc/82/70/51/853827051.db2.gz CJNQPDAACPYDFQ-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567849 853827059 /nfs/dbraw/zinc/82/70/59/853827059.db2.gz CJNQPDAACPYDFQ-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567977 853827683 /nfs/dbraw/zinc/82/76/83/853827683.db2.gz JAUWWDGPNLFYJS-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567977 853827689 /nfs/dbraw/zinc/82/76/89/853827689.db2.gz JAUWWDGPNLFYJS-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567977 853827693 /nfs/dbraw/zinc/82/76/93/853827693.db2.gz JAUWWDGPNLFYJS-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567977 853827698 /nfs/dbraw/zinc/82/76/98/853827698.db2.gz JAUWWDGPNLFYJS-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568214 853827887 /nfs/dbraw/zinc/82/78/87/853827887.db2.gz VRPAYJLDLATYGT-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568214 853827894 /nfs/dbraw/zinc/82/78/94/853827894.db2.gz VRPAYJLDLATYGT-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568214 853827899 /nfs/dbraw/zinc/82/78/99/853827899.db2.gz VRPAYJLDLATYGT-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682346 853841054 /nfs/dbraw/zinc/84/10/54/853841054.db2.gz LAHHCBTZASPXIC-IAGOWNOFSA-N 2 1 353.507 0.962 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C)[NH+](C)C ZINC001207697536 853841903 /nfs/dbraw/zinc/84/19/03/853841903.db2.gz CQPDWYYSGWUVMV-BPLDGKMQSA-N 2 1 354.520 0.995 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C)[NH+](C)C ZINC001207697536 853841907 /nfs/dbraw/zinc/84/19/07/853841907.db2.gz CQPDWYYSGWUVMV-BPLDGKMQSA-N 2 1 354.520 0.995 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001208070197 853890870 /nfs/dbraw/zinc/89/08/70/853890870.db2.gz GEZBJCGHAGCZLN-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208129004 853898700 /nfs/dbraw/zinc/89/87/00/853898700.db2.gz MMEWIOVCNMYAIN-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208129004 853898705 /nfs/dbraw/zinc/89/87/05/853898705.db2.gz MMEWIOVCNMYAIN-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001208129004 853898709 /nfs/dbraw/zinc/89/87/09/853898709.db2.gz MMEWIOVCNMYAIN-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001208129004 853898711 /nfs/dbraw/zinc/89/87/11/853898711.db2.gz MMEWIOVCNMYAIN-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208428517 853932377 /nfs/dbraw/zinc/93/23/77/853932377.db2.gz YTSJMCOEMHSWSQ-OWCLPIDISA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208428517 853932381 /nfs/dbraw/zinc/93/23/81/853932381.db2.gz YTSJMCOEMHSWSQ-OWCLPIDISA-N 2 1 352.523 0.925 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591453 853957274 /nfs/dbraw/zinc/95/72/74/853957274.db2.gz XBHUQVZCCPZBGB-HLLBOEOZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208591453 853957278 /nfs/dbraw/zinc/95/72/78/853957278.db2.gz XBHUQVZCCPZBGB-HLLBOEOZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208591453 853957284 /nfs/dbraw/zinc/95/72/84/853957284.db2.gz XBHUQVZCCPZBGB-HLLBOEOZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001208605277 853959358 /nfs/dbraw/zinc/95/93/58/853959358.db2.gz RKXUAJMQIZNHGY-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001208605277 853959362 /nfs/dbraw/zinc/95/93/62/853959362.db2.gz RKXUAJMQIZNHGY-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001208605277 853959364 /nfs/dbraw/zinc/95/93/64/853959364.db2.gz RKXUAJMQIZNHGY-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001208605277 853959368 /nfs/dbraw/zinc/95/93/68/853959368.db2.gz RKXUAJMQIZNHGY-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C)[NH+](C)C ZINC001208698548 853966884 /nfs/dbraw/zinc/96/68/84/853966884.db2.gz CQPDWYYSGWUVMV-YUELXQCFSA-N 2 1 354.520 0.995 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C)[NH+](C)C ZINC001208698548 853966888 /nfs/dbraw/zinc/96/68/88/853966888.db2.gz CQPDWYYSGWUVMV-YUELXQCFSA-N 2 1 354.520 0.995 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCN(C(C)=O)C1)CC2 ZINC001208958022 853984846 /nfs/dbraw/zinc/98/48/46/853984846.db2.gz LNFZZYFIJVLDSF-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCN(C(C)=O)C1)CC2 ZINC001208958022 853984847 /nfs/dbraw/zinc/98/48/47/853984847.db2.gz LNFZZYFIJVLDSF-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506175 854032986 /nfs/dbraw/zinc/03/29/86/854032986.db2.gz HWSPJLIOXJSMFC-SJLPKXTDSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506175 854032989 /nfs/dbraw/zinc/03/29/89/854032989.db2.gz HWSPJLIOXJSMFC-SJLPKXTDSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210032744 854071108 /nfs/dbraw/zinc/07/11/08/854071108.db2.gz ADOWYKDNGCQJCN-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210032744 854071111 /nfs/dbraw/zinc/07/11/11/854071111.db2.gz ADOWYKDNGCQJCN-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210032744 854071116 /nfs/dbraw/zinc/07/11/16/854071116.db2.gz ADOWYKDNGCQJCN-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179745 854087844 /nfs/dbraw/zinc/08/78/44/854087844.db2.gz QXFICZHAQHGNHX-ZTFGCOKTSA-N 2 1 353.507 0.552 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298276 854097158 /nfs/dbraw/zinc/09/71/58/854097158.db2.gz NLLCOBYNODKYHL-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298914 854098303 /nfs/dbraw/zinc/09/83/03/854098303.db2.gz UETLZEAFYYVNAF-BRWVUGGUSA-N 2 1 359.511 0.035 20 0 FCADMP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210299111 854098683 /nfs/dbraw/zinc/09/86/83/854098683.db2.gz YBFWKALDRHADIM-ZIAGYGMSSA-N 2 1 369.428 0.970 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001210486300 854114361 /nfs/dbraw/zinc/11/43/61/854114361.db2.gz UBGGVRSSINAQNZ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001210486300 854114364 /nfs/dbraw/zinc/11/43/64/854114364.db2.gz UBGGVRSSINAQNZ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001210486300 854114367 /nfs/dbraw/zinc/11/43/67/854114367.db2.gz UBGGVRSSINAQNZ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001210486300 854114371 /nfs/dbraw/zinc/11/43/71/854114371.db2.gz UBGGVRSSINAQNZ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210512897 854115261 /nfs/dbraw/zinc/11/52/61/854115261.db2.gz DHTQOPSMRVJCKJ-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210512897 854115269 /nfs/dbraw/zinc/11/52/69/854115269.db2.gz DHTQOPSMRVJCKJ-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210512897 854115275 /nfs/dbraw/zinc/11/52/75/854115275.db2.gz DHTQOPSMRVJCKJ-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210512897 854115280 /nfs/dbraw/zinc/11/52/80/854115280.db2.gz DHTQOPSMRVJCKJ-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210514490 854115349 /nfs/dbraw/zinc/11/53/49/854115349.db2.gz UNYVMUJCRKIVLQ-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210514490 854115355 /nfs/dbraw/zinc/11/53/55/854115355.db2.gz UNYVMUJCRKIVLQ-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001210514490 854115360 /nfs/dbraw/zinc/11/53/60/854115360.db2.gz UNYVMUJCRKIVLQ-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032250 854147846 /nfs/dbraw/zinc/14/78/46/854147846.db2.gz WVQZWMXRTJAIPX-HZSPNIEDSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032250 854147850 /nfs/dbraw/zinc/14/78/50/854147850.db2.gz WVQZWMXRTJAIPX-HZSPNIEDSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1C ZINC001211046984 854150537 /nfs/dbraw/zinc/15/05/37/854150537.db2.gz XWYRGFAVRYGUCS-JFIYKMOQSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094886 854157280 /nfs/dbraw/zinc/15/72/80/854157280.db2.gz WVXUYVOWZKAYGS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301031 854174669 /nfs/dbraw/zinc/17/46/69/854174669.db2.gz RCXJJXKKMCYDLY-HZPDHXFCSA-N 2 1 359.536 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301031 854174671 /nfs/dbraw/zinc/17/46/71/854174671.db2.gz RCXJJXKKMCYDLY-HZPDHXFCSA-N 2 1 359.536 0.734 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458557 854486456 /nfs/dbraw/zinc/48/64/56/854486456.db2.gz JYVPKDZKTKIKBF-ARFHVFGLSA-N 2 1 357.495 0.195 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495651 854501761 /nfs/dbraw/zinc/50/17/61/854501761.db2.gz MCXUQXHZZSGBKT-IAGOWNOFSA-N 2 1 350.463 0.760 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327837 854576348 /nfs/dbraw/zinc/57/63/48/854576348.db2.gz UDOIJOYJTUQOGS-MWDXBVQZSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327837 854576349 /nfs/dbraw/zinc/57/63/49/854576349.db2.gz UDOIJOYJTUQOGS-MWDXBVQZSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327837 854576351 /nfs/dbraw/zinc/57/63/51/854576351.db2.gz UDOIJOYJTUQOGS-MWDXBVQZSA-N 2 1 357.495 0.195 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369592 854590868 /nfs/dbraw/zinc/59/08/68/854590868.db2.gz XLNLAYWHBZPATC-BZUAXINKSA-N 2 1 354.495 0.188 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369592 854590871 /nfs/dbraw/zinc/59/08/71/854590871.db2.gz XLNLAYWHBZPATC-BZUAXINKSA-N 2 1 354.495 0.188 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374407 854592022 /nfs/dbraw/zinc/59/20/22/854592022.db2.gz FQDCARGDKJMZOX-IXDOHACOSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374407 854592028 /nfs/dbraw/zinc/59/20/28/854592028.db2.gz FQDCARGDKJMZOX-IXDOHACOSA-N 2 1 353.438 0.626 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213597088 854679636 /nfs/dbraw/zinc/67/96/36/854679636.db2.gz UDLMSTIMTWUEMV-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213597088 854679639 /nfs/dbraw/zinc/67/96/39/854679639.db2.gz UDLMSTIMTWUEMV-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759302 854754938 /nfs/dbraw/zinc/75/49/38/854754938.db2.gz FXLQWTKURKYQGW-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860174 854795746 /nfs/dbraw/zinc/79/57/46/854795746.db2.gz VJSWYBOOAUZSKA-ZIAGYGMSSA-N 2 1 367.412 0.867 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860174 854795749 /nfs/dbraw/zinc/79/57/49/854795749.db2.gz VJSWYBOOAUZSKA-ZIAGYGMSSA-N 2 1 367.412 0.867 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213929692 854830268 /nfs/dbraw/zinc/83/02/68/854830268.db2.gz HMHYSMBTKVIUQY-IAGOWNOFSA-N 2 1 351.495 0.601 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213929692 854830272 /nfs/dbraw/zinc/83/02/72/854830272.db2.gz HMHYSMBTKVIUQY-IAGOWNOFSA-N 2 1 351.495 0.601 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213929692 854830275 /nfs/dbraw/zinc/83/02/75/854830275.db2.gz HMHYSMBTKVIUQY-IAGOWNOFSA-N 2 1 351.495 0.601 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213929692 854830279 /nfs/dbraw/zinc/83/02/79/854830279.db2.gz HMHYSMBTKVIUQY-IAGOWNOFSA-N 2 1 351.495 0.601 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974340 854850628 /nfs/dbraw/zinc/85/06/28/854850628.db2.gz UVBNQMQWGOLOSP-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)s1 ZINC001214344788 854928304 /nfs/dbraw/zinc/92/83/04/854928304.db2.gz YMEPSTBQUIPZHL-RAIGVLPGSA-N 2 1 366.491 0.316 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636029 854984015 /nfs/dbraw/zinc/98/40/15/854984015.db2.gz AQWIVUFRHHVNHI-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214968975 855042273 /nfs/dbraw/zinc/04/22/73/855042273.db2.gz GKOCNGISCOARMQ-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215381375 855106989 /nfs/dbraw/zinc/10/69/89/855106989.db2.gz VCECAWXRJCBEIM-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001215393395 855108394 /nfs/dbraw/zinc/10/83/94/855108394.db2.gz ZKWLYRXUZYCMIK-RBSFLKMASA-N 2 1 363.449 0.814 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001215393395 855108397 /nfs/dbraw/zinc/10/83/97/855108397.db2.gz ZKWLYRXUZYCMIK-RBSFLKMASA-N 2 1 363.449 0.814 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3nccs3)C2)C1 ZINC001215539888 855126054 /nfs/dbraw/zinc/12/60/54/855126054.db2.gz BNQKLOPEPSLQQY-MGPQQGTHSA-N 2 1 365.503 0.860 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001215765954 855143682 /nfs/dbraw/zinc/14/36/82/855143682.db2.gz FBJRYKNMOHTNFW-HZPDHXFCSA-N 2 1 352.479 0.842 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216226171 855180288 /nfs/dbraw/zinc/18/02/88/855180288.db2.gz OMCAMMBTGYGOMQ-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC001216216881 855180599 /nfs/dbraw/zinc/18/05/99/855180599.db2.gz DOIWHVSLKHOVKM-CHWSQXEVSA-N 2 1 358.437 0.822 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC001216216881 855180605 /nfs/dbraw/zinc/18/06/05/855180605.db2.gz DOIWHVSLKHOVKM-CHWSQXEVSA-N 2 1 358.437 0.822 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229931 855181768 /nfs/dbraw/zinc/18/17/68/855181768.db2.gz SKUOYAPUKQAKTE-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001216511019 855209979 /nfs/dbraw/zinc/20/99/79/855209979.db2.gz IUVCAUSGERWBIA-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001216758174 855234204 /nfs/dbraw/zinc/23/42/04/855234204.db2.gz YUHIWVBXNPWTJL-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C2)C1 ZINC001216801965 855246975 /nfs/dbraw/zinc/24/69/75/855246975.db2.gz ZMKMSBFHQLILPS-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C2)C1 ZINC001216801965 855246981 /nfs/dbraw/zinc/24/69/81/855246981.db2.gz ZMKMSBFHQLILPS-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216851820 855259633 /nfs/dbraw/zinc/25/96/33/855259633.db2.gz JBPZDLGFLYMPTB-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853887 855261000 /nfs/dbraw/zinc/26/10/00/855261000.db2.gz NUOMEZCGSKDNGW-OWCLPIDISA-N 2 1 356.511 0.304 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001218212311 855407195 /nfs/dbraw/zinc/40/71/95/855407195.db2.gz WVRCCVVGJNZXCI-NSHDSACASA-N 2 1 352.435 0.624 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218723655 855471550 /nfs/dbraw/zinc/47/15/50/855471550.db2.gz WQYJLGFYEDGYDA-RYQLBKOJSA-N 2 1 353.507 0.791 20 0 FCADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)c2C1 ZINC001218754476 855475524 /nfs/dbraw/zinc/47/55/24/855475524.db2.gz RYFFECCTNAJFQV-CYBMUJFWSA-N 2 1 365.503 0.367 20 0 FCADMP NS(=O)(=O)c1cc(Cl)c(NC(=O)C[NH2+]CCC[NH3+])c(Cl)c1 ZINC001218963725 855503569 /nfs/dbraw/zinc/50/35/69/855503569.db2.gz VOPBMIANBCUQSH-UHFFFAOYSA-N 2 1 355.247 0.518 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965198 855504631 /nfs/dbraw/zinc/50/46/31/855504631.db2.gz GUURHLFWOHUNPN-DLBZAZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965198 855504634 /nfs/dbraw/zinc/50/46/34/855504634.db2.gz GUURHLFWOHUNPN-DLBZAZTESA-N 2 1 351.491 0.666 20 0 FCADMP O=C(Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1)[C@@H]1COC[NH2+]1 ZINC001219188365 855579880 /nfs/dbraw/zinc/57/98/80/855579880.db2.gz HWEOTRYLHKSZOQ-AWEZNQCLSA-N 2 1 358.364 0.995 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635212 855747600 /nfs/dbraw/zinc/74/76/00/855747600.db2.gz WNXMQGXNTPOCKJ-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635212 855747607 /nfs/dbraw/zinc/74/76/07/855747607.db2.gz WNXMQGXNTPOCKJ-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635212 855747612 /nfs/dbraw/zinc/74/76/12/855747612.db2.gz WNXMQGXNTPOCKJ-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764858 855803013 /nfs/dbraw/zinc/80/30/13/855803013.db2.gz NLJAUCMSIMOONZ-ILXRZTDVSA-N 2 1 354.495 0.236 20 0 FCADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764858 855803021 /nfs/dbraw/zinc/80/30/21/855803021.db2.gz NLJAUCMSIMOONZ-ILXRZTDVSA-N 2 1 354.495 0.236 20 0 FCADMP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219800815 855818904 /nfs/dbraw/zinc/81/89/04/855818904.db2.gz NTDKTWQTWRCWDV-JKSUJKDBSA-N 3 1 350.507 0.335 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800266 855819280 /nfs/dbraw/zinc/81/92/80/855819280.db2.gz JHTFVHHFRQCQCT-ZACQAIPSSA-N 2 1 351.495 0.411 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800266 855819287 /nfs/dbraw/zinc/81/92/87/855819287.db2.gz JHTFVHHFRQCQCT-ZACQAIPSSA-N 2 1 351.495 0.411 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219802503 855820368 /nfs/dbraw/zinc/82/03/68/855820368.db2.gz QXFICGRXOOBYAF-IKGGRYGDSA-N 2 1 353.507 0.837 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219866844 855854323 /nfs/dbraw/zinc/85/43/23/855854323.db2.gz BCZXYBWEJXPLFQ-SJORKVTESA-N 2 1 353.507 0.840 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219866844 855854326 /nfs/dbraw/zinc/85/43/26/855854326.db2.gz BCZXYBWEJXPLFQ-SJORKVTESA-N 2 1 353.507 0.840 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903251 855871845 /nfs/dbraw/zinc/87/18/45/855871845.db2.gz WNAIPDXGMIJNRN-IKGGRYGDSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903251 855871850 /nfs/dbraw/zinc/87/18/50/855871850.db2.gz WNAIPDXGMIJNRN-IKGGRYGDSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903251 855871858 /nfs/dbraw/zinc/87/18/58/855871858.db2.gz WNAIPDXGMIJNRN-IKGGRYGDSA-N 2 1 355.523 0.819 20 0 FCADMP CC(C)(C)OC(=O)C1(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)CCC([NH3+])CC1 ZINC001220039840 855929646 /nfs/dbraw/zinc/92/96/46/855929646.db2.gz VNHRWJZJUPYLQG-OFKYTCTHSA-N 2 1 351.451 0.378 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001220230695 856023073 /nfs/dbraw/zinc/02/30/73/856023073.db2.gz OQRQCNWHUVQVKD-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001220277358 856041938 /nfs/dbraw/zinc/04/19/38/856041938.db2.gz XXRJLYLSNLRPGW-MNOVXSKESA-N 2 1 359.364 0.016 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001220277358 856041944 /nfs/dbraw/zinc/04/19/44/856041944.db2.gz XXRJLYLSNLRPGW-MNOVXSKESA-N 2 1 359.364 0.016 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220344967 856077153 /nfs/dbraw/zinc/07/71/53/856077153.db2.gz MIBDKGKLTDZOOD-RDBSUJKOSA-N 2 1 351.438 0.550 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220344967 856077157 /nfs/dbraw/zinc/07/71/57/856077157.db2.gz MIBDKGKLTDZOOD-RDBSUJKOSA-N 2 1 351.438 0.550 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367369 856087904 /nfs/dbraw/zinc/08/79/04/856087904.db2.gz VMEJHFXIQGWXCX-UPJWGTAASA-N 2 1 369.428 0.439 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367369 856087908 /nfs/dbraw/zinc/08/79/08/856087908.db2.gz VMEJHFXIQGWXCX-UPJWGTAASA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367369 856087911 /nfs/dbraw/zinc/08/79/11/856087911.db2.gz VMEJHFXIQGWXCX-UPJWGTAASA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367369 856087915 /nfs/dbraw/zinc/08/79/15/856087915.db2.gz VMEJHFXIQGWXCX-UPJWGTAASA-N 2 1 369.428 0.439 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444142 856127384 /nfs/dbraw/zinc/12/73/84/856127384.db2.gz JURCSRMHJYJSFY-CVEARBPZSA-N 2 1 352.479 0.983 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444142 856127394 /nfs/dbraw/zinc/12/73/94/856127394.db2.gz JURCSRMHJYJSFY-CVEARBPZSA-N 2 1 352.479 0.983 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476533 856145746 /nfs/dbraw/zinc/14/57/46/856145746.db2.gz LOEUVKJAKDVRSH-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476533 856145748 /nfs/dbraw/zinc/14/57/48/856145748.db2.gz LOEUVKJAKDVRSH-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001220478776 856146472 /nfs/dbraw/zinc/14/64/72/856146472.db2.gz KIUYDFFFNZVWAP-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001220478776 856146478 /nfs/dbraw/zinc/14/64/78/856146478.db2.gz KIUYDFFFNZVWAP-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220478776 856146485 /nfs/dbraw/zinc/14/64/85/856146485.db2.gz KIUYDFFFNZVWAP-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220478776 856146486 /nfs/dbraw/zinc/14/64/86/856146486.db2.gz KIUYDFFFNZVWAP-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001220482225 856147691 /nfs/dbraw/zinc/14/76/91/856147691.db2.gz HXRXTKRNFLEXHM-OAGGEKHMSA-N 2 1 352.479 0.719 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001220482225 856147693 /nfs/dbraw/zinc/14/76/93/856147693.db2.gz HXRXTKRNFLEXHM-OAGGEKHMSA-N 2 1 352.479 0.719 20 0 FCADMP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]cn1)c1ccc(Br)cc1 ZINC001220605713 856203014 /nfs/dbraw/zinc/20/30/14/856203014.db2.gz WLXGYSPTUZOLOF-CHWSQXEVSA-N 2 1 352.236 0.858 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831221 856328847 /nfs/dbraw/zinc/32/88/47/856328847.db2.gz TUQPGLWIAOMWOI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831221 856328855 /nfs/dbraw/zinc/32/88/55/856328855.db2.gz TUQPGLWIAOMWOI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831221 856328860 /nfs/dbraw/zinc/32/88/60/856328860.db2.gz TUQPGLWIAOMWOI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831221 856328866 /nfs/dbraw/zinc/32/88/66/856328866.db2.gz TUQPGLWIAOMWOI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221081202 856452914 /nfs/dbraw/zinc/45/29/14/856452914.db2.gz FUNKJSLFLUDCRK-KURKYZTESA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221081058 856453013 /nfs/dbraw/zinc/45/30/13/856453013.db2.gz DBNYDJKGRDUQNO-MJBXVCDLSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221081058 856453016 /nfs/dbraw/zinc/45/30/16/856453016.db2.gz DBNYDJKGRDUQNO-MJBXVCDLSA-N 2 1 367.412 0.337 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091343 856458349 /nfs/dbraw/zinc/45/83/49/856458349.db2.gz KYGQVFAYHGMCCD-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091343 856458357 /nfs/dbraw/zinc/45/83/57/856458357.db2.gz KYGQVFAYHGMCCD-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091855 856459724 /nfs/dbraw/zinc/45/97/24/856459724.db2.gz YMAXNAKFLZFAHV-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091855 856459732 /nfs/dbraw/zinc/45/97/32/856459732.db2.gz YMAXNAKFLZFAHV-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001221154509 856488032 /nfs/dbraw/zinc/48/80/32/856488032.db2.gz PJZUJXKYYYRTFY-MSOLQXFVSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001221155095 856488174 /nfs/dbraw/zinc/48/81/74/856488174.db2.gz ZPXMHNKZOQYING-KSZLIROESA-N 2 1 353.507 0.840 20 0 FCADMP C[NH2+][C@@H](C)C(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341001 856552661 /nfs/dbraw/zinc/55/26/61/856552661.db2.gz LATJREMAZGGHSQ-JSGCOSHPSA-N 2 1 365.503 0.884 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444697 856568207 /nfs/dbraw/zinc/56/82/07/856568207.db2.gz KKSLQHCNOKORBT-OWCLPIDISA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444697 856568220 /nfs/dbraw/zinc/56/82/20/856568220.db2.gz KKSLQHCNOKORBT-OWCLPIDISA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444697 856568222 /nfs/dbraw/zinc/56/82/22/856568222.db2.gz KKSLQHCNOKORBT-OWCLPIDISA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444697 856568237 /nfs/dbraw/zinc/56/82/37/856568237.db2.gz KKSLQHCNOKORBT-OWCLPIDISA-N 2 1 351.495 0.321 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555549 856604557 /nfs/dbraw/zinc/60/45/57/856604557.db2.gz MVGQZRHBRLNXTM-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555550 856604645 /nfs/dbraw/zinc/60/46/45/856604645.db2.gz MVGQZRHBRLNXTM-KZNAEPCWSA-N 2 1 351.491 0.524 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cnc1OC ZINC001279292666 862815366 /nfs/dbraw/zinc/81/53/66/862815366.db2.gz RPARPUFSYUIWEJ-IYBDPMFKSA-N 2 1 350.463 0.545 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cnc1OC ZINC001279292666 862815374 /nfs/dbraw/zinc/81/53/74/862815374.db2.gz RPARPUFSYUIWEJ-IYBDPMFKSA-N 2 1 350.463 0.545 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221777105 856678702 /nfs/dbraw/zinc/67/87/02/856678702.db2.gz RNYSXDPMUAJNLW-IAGOWNOFSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221777105 856678707 /nfs/dbraw/zinc/67/87/07/856678707.db2.gz RNYSXDPMUAJNLW-IAGOWNOFSA-N 2 1 371.547 0.686 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789124 856684027 /nfs/dbraw/zinc/68/40/27/856684027.db2.gz GXBINQIUFRZNTJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789124 856684032 /nfs/dbraw/zinc/68/40/32/856684032.db2.gz GXBINQIUFRZNTJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221791394 856685220 /nfs/dbraw/zinc/68/52/20/856685220.db2.gz JHTZGORHRBAUPJ-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221791394 856685231 /nfs/dbraw/zinc/68/52/31/856685231.db2.gz JHTZGORHRBAUPJ-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818395 856698082 /nfs/dbraw/zinc/69/80/82/856698082.db2.gz VOGBCJCEESIDJR-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818395 856698089 /nfs/dbraw/zinc/69/80/89/856698089.db2.gz VOGBCJCEESIDJR-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818395 856698094 /nfs/dbraw/zinc/69/80/94/856698094.db2.gz VOGBCJCEESIDJR-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818395 856698099 /nfs/dbraw/zinc/69/80/99/856698099.db2.gz VOGBCJCEESIDJR-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848842 856709664 /nfs/dbraw/zinc/70/96/64/856709664.db2.gz JDMMYRHZMDHXRB-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848842 856709671 /nfs/dbraw/zinc/70/96/71/856709671.db2.gz JDMMYRHZMDHXRB-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946928 856743246 /nfs/dbraw/zinc/74/32/46/856743246.db2.gz JKYYBJULDJQYDC-NVXWUHKLSA-N 2 1 350.463 0.902 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946928 856743250 /nfs/dbraw/zinc/74/32/50/856743250.db2.gz JKYYBJULDJQYDC-NVXWUHKLSA-N 2 1 350.463 0.902 20 0 FCADMP CCOC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1 ZINC001221950506 856745543 /nfs/dbraw/zinc/74/55/43/856745543.db2.gz LGLMAKMYTAZLQB-GPQLOAJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018367 856769568 /nfs/dbraw/zinc/76/95/68/856769568.db2.gz YQIHEHYFGUIOGS-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018367 856769574 /nfs/dbraw/zinc/76/95/74/856769574.db2.gz YQIHEHYFGUIOGS-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222046392 856784241 /nfs/dbraw/zinc/78/42/41/856784241.db2.gz AOLZZIJUDSXVLF-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222046392 856784248 /nfs/dbraw/zinc/78/42/48/856784248.db2.gz AOLZZIJUDSXVLF-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520819 856847897 /nfs/dbraw/zinc/84/78/97/856847897.db2.gz KUEKHJGOJFMMDR-SFHVURJKSA-N 2 1 352.479 0.703 20 0 FCADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520818 856848153 /nfs/dbraw/zinc/84/81/53/856848153.db2.gz KUEKHJGOJFMMDR-GOSISDBHSA-N 2 1 352.479 0.703 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799906 856873185 /nfs/dbraw/zinc/87/31/85/856873185.db2.gz RKURNQORKANKOI-PMPSAXMXSA-N 2 1 356.486 0.725 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799906 856873190 /nfs/dbraw/zinc/87/31/90/856873190.db2.gz RKURNQORKANKOI-PMPSAXMXSA-N 2 1 356.486 0.725 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001223387578 856911609 /nfs/dbraw/zinc/91/16/09/856911609.db2.gz HEXNJJSZWUIZBE-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001223387578 856911616 /nfs/dbraw/zinc/91/16/16/856911616.db2.gz HEXNJJSZWUIZBE-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387888 856912002 /nfs/dbraw/zinc/91/20/02/856912002.db2.gz OXOIDPVGIWZOMH-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223571074 856925713 /nfs/dbraw/zinc/92/57/13/856925713.db2.gz YCTFWDNSRSRJOS-NVXWUHKLSA-N 2 1 357.495 0.197 20 0 FCADMP COCCOCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223571074 856925722 /nfs/dbraw/zinc/92/57/22/856925722.db2.gz YCTFWDNSRSRJOS-NVXWUHKLSA-N 2 1 357.495 0.197 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223962494 856953554 /nfs/dbraw/zinc/95/35/54/856953554.db2.gz QSGNARVQIALCMC-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223962494 856953562 /nfs/dbraw/zinc/95/35/62/856953562.db2.gz QSGNARVQIALCMC-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223962494 856953567 /nfs/dbraw/zinc/95/35/67/856953567.db2.gz QSGNARVQIALCMC-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129604 856961466 /nfs/dbraw/zinc/96/14/66/856961466.db2.gz IZCSUZDMZMHDEP-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224129604 856961470 /nfs/dbraw/zinc/96/14/70/856961470.db2.gz IZCSUZDMZMHDEP-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224129604 856961475 /nfs/dbraw/zinc/96/14/75/856961475.db2.gz IZCSUZDMZMHDEP-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129173 856961575 /nfs/dbraw/zinc/96/15/75/856961575.db2.gz GBCBQYGPOATQNV-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129173 856961582 /nfs/dbraw/zinc/96/15/82/856961582.db2.gz GBCBQYGPOATQNV-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129173 856961591 /nfs/dbraw/zinc/96/15/91/856961591.db2.gz GBCBQYGPOATQNV-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131427 856961684 /nfs/dbraw/zinc/96/16/84/856961684.db2.gz ZKRDCWWIUUUPHV-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131427 856961688 /nfs/dbraw/zinc/96/16/88/856961688.db2.gz ZKRDCWWIUUUPHV-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131427 856961694 /nfs/dbraw/zinc/96/16/94/856961694.db2.gz ZKRDCWWIUUUPHV-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224139863 856962270 /nfs/dbraw/zinc/96/22/70/856962270.db2.gz DVQSSVYQCALBFZ-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153047 856963207 /nfs/dbraw/zinc/96/32/07/856963207.db2.gz GQHMZSBUNKLUSP-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001224233102 856970235 /nfs/dbraw/zinc/97/02/35/856970235.db2.gz ISPUUDVDIXBOPU-WBVHZDCISA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001224233102 856970237 /nfs/dbraw/zinc/97/02/37/856970237.db2.gz ISPUUDVDIXBOPU-WBVHZDCISA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001224233102 856970241 /nfs/dbraw/zinc/97/02/41/856970241.db2.gz ISPUUDVDIXBOPU-WBVHZDCISA-N 2 1 350.507 0.870 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)F)C1 ZINC001225526096 857047276 /nfs/dbraw/zinc/04/72/76/857047276.db2.gz XIHVPNRJHWBNPP-MCIONIFRSA-N 2 1 367.412 0.913 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)F)C1 ZINC001225526096 857047286 /nfs/dbraw/zinc/04/72/86/857047286.db2.gz XIHVPNRJHWBNPP-MCIONIFRSA-N 2 1 367.412 0.913 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226615566 857115286 /nfs/dbraw/zinc/11/52/86/857115286.db2.gz YHLQUHJSSJQQHR-MCIONIFRSA-N 2 1 353.467 0.073 20 0 FCADMP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001226783324 857125835 /nfs/dbraw/zinc/12/58/35/857125835.db2.gz XFVDIQQABAAVAN-BRWVUGGUSA-N 2 1 351.495 0.867 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001227158338 857146478 /nfs/dbraw/zinc/14/64/78/857146478.db2.gz GCRHAYHNDLGCHX-CHWSQXEVSA-N 2 1 352.483 0.356 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001227166129 857146544 /nfs/dbraw/zinc/14/65/44/857146544.db2.gz SOSOLGDODSJYIB-CHWSQXEVSA-N 2 1 355.483 0.189 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001227443863 857160259 /nfs/dbraw/zinc/16/02/59/857160259.db2.gz LLIQLVGIGJTGCB-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001227443863 857160261 /nfs/dbraw/zinc/16/02/61/857160261.db2.gz LLIQLVGIGJTGCB-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001227444871 857160533 /nfs/dbraw/zinc/16/05/33/857160533.db2.gz VIHVLEWQTYFHIH-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001227444871 857160535 /nfs/dbraw/zinc/16/05/35/857160535.db2.gz VIHVLEWQTYFHIH-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001227444869 857160600 /nfs/dbraw/zinc/16/06/00/857160600.db2.gz VIHVLEWQTYFHIH-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001227444869 857160603 /nfs/dbraw/zinc/16/06/03/857160603.db2.gz VIHVLEWQTYFHIH-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127234 857251936 /nfs/dbraw/zinc/25/19/36/857251936.db2.gz TWWFCRFDWANACC-GVDBMIGSSA-N 2 1 352.479 0.996 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141372 857253417 /nfs/dbraw/zinc/25/34/17/857253417.db2.gz DUCNURMQOARMGO-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229837743 857289261 /nfs/dbraw/zinc/28/92/61/857289261.db2.gz QXMXNXROEWEJSR-BFHYXJOUSA-N 2 1 355.483 0.319 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCC ZINC001229860105 857290648 /nfs/dbraw/zinc/29/06/48/857290648.db2.gz MAOOSRLMPAZHKA-ZIAGYGMSSA-N 2 1 355.483 0.191 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001229852373 857290730 /nfs/dbraw/zinc/29/07/30/857290730.db2.gz FQMZDRRCAUKBAC-RBSFLKMASA-N 2 1 352.479 0.541 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccns1)CC2 ZINC001232191583 857369790 /nfs/dbraw/zinc/36/97/90/857369790.db2.gz WCRRLAHJWSAISC-UHFFFAOYSA-N 2 1 351.520 0.813 20 0 FCADMP Cc1ncc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)o1 ZINC001233365774 857384068 /nfs/dbraw/zinc/38/40/68/857384068.db2.gz DRMNSZVQQRSEAF-UHFFFAOYSA-N 2 1 350.463 0.986 20 0 FCADMP Cc1ncc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)o1 ZINC001233365774 857384076 /nfs/dbraw/zinc/38/40/76/857384076.db2.gz DRMNSZVQQRSEAF-UHFFFAOYSA-N 2 1 350.463 0.986 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@H]1COCCN1)C2 ZINC001235324788 857421821 /nfs/dbraw/zinc/42/18/21/857421821.db2.gz KXLVMYLQZZPNJQ-TXPKVOOTSA-N 2 1 351.491 0.620 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)C2 ZINC001235340032 857421867 /nfs/dbraw/zinc/42/18/67/857421867.db2.gz XZRNJNQSWNZDJX-NPSOMJIGSA-N 2 1 353.463 0.842 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@@H]1COCCN1)C2 ZINC001235324784 857422012 /nfs/dbraw/zinc/42/20/12/857422012.db2.gz KXLVMYLQZZPNJQ-JTDSTZFVSA-N 2 1 351.491 0.620 20 0 FCADMP Cn1cnc2c1[C@H](COCCN1CCOCC1)C[N@@H+](CCCC[NH3+])C2 ZINC001235555239 857427374 /nfs/dbraw/zinc/42/73/74/857427374.db2.gz QSASSKCEXLPJGM-INIZCTEOSA-N 2 1 351.495 0.407 20 0 FCADMP COC(=O)c1cnc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)s1 ZINC001236036054 857435424 /nfs/dbraw/zinc/43/54/24/857435424.db2.gz RDXOMHHFLFJWRC-DRAKQNMHSA-N 2 1 365.455 0.760 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)s1 ZINC001236036054 857435435 /nfs/dbraw/zinc/43/54/35/857435435.db2.gz RDXOMHHFLFJWRC-DRAKQNMHSA-N 2 1 365.455 0.760 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502807 862920326 /nfs/dbraw/zinc/92/03/26/862920326.db2.gz XTBTXQCZWQQYQR-ZACQAIPSSA-N 2 1 358.552 0.778 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001279502807 862920330 /nfs/dbraw/zinc/92/03/30/862920330.db2.gz XTBTXQCZWQQYQR-ZACQAIPSSA-N 2 1 358.552 0.778 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001279502807 862920334 /nfs/dbraw/zinc/92/03/34/862920334.db2.gz XTBTXQCZWQQYQR-ZACQAIPSSA-N 2 1 358.552 0.778 20 0 FCADMP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001279504810 862923385 /nfs/dbraw/zinc/92/33/85/862923385.db2.gz JCAPZLNOUGOITA-VHKIVQRHSA-N 2 1 353.507 0.912 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001246019060 857564449 /nfs/dbraw/zinc/56/44/49/857564449.db2.gz HGONNGNCXJEDFD-MJGOQNOKSA-N 2 1 352.475 0.791 20 0 FCADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C2CCOCC2)CC1 ZINC001246071931 857567970 /nfs/dbraw/zinc/56/79/70/857567970.db2.gz WANBFQMKMYNIMB-JFIYKMOQSA-N 3 1 355.523 0.603 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246596665 857585603 /nfs/dbraw/zinc/58/56/03/857585603.db2.gz QJMRMQJAVCEXKG-XSWJXKHESA-N 2 1 353.463 0.145 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246668936 857587986 /nfs/dbraw/zinc/58/79/86/857587986.db2.gz QMUQBBHSCOQALB-MPGHIAIKSA-N 2 1 355.479 0.140 20 0 FCADMP O=C(C1CC[NH+](C2CCC3(CC2)C[NH2+]CCO3)CC1)N1CCNCC1 ZINC001246678558 857589726 /nfs/dbraw/zinc/58/97/26/857589726.db2.gz XAMQMEMRRWPBFK-UHFFFAOYSA-N 2 1 350.507 0.431 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709497 857591601 /nfs/dbraw/zinc/59/16/01/857591601.db2.gz OTROUFKSZUSRJV-MWTISTBLSA-N 2 1 351.491 0.902 20 0 FCADMP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246699309 857592222 /nfs/dbraw/zinc/59/22/22/857592222.db2.gz GRSXFQRPAZFIQE-WSWMKRCMSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736220 857595721 /nfs/dbraw/zinc/59/57/21/857595721.db2.gz KFGVIRQORGSYNU-VXNCWWDNSA-N 2 1 351.491 0.714 20 0 FCADMP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246738826 857595794 /nfs/dbraw/zinc/59/57/94/857595794.db2.gz MRAFICZVACMIAX-RYRKJORJSA-N 2 1 350.507 0.191 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)CC[NH2+]1 ZINC001246756095 857598854 /nfs/dbraw/zinc/59/88/54/857598854.db2.gz KRZULONSVQWPBV-IKGGRYGDSA-N 2 1 351.491 0.857 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCN[C@@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859603 857603250 /nfs/dbraw/zinc/60/32/50/857603250.db2.gz PVGVHULFGOCEGZ-HHULCRSBSA-N 2 1 361.408 1.000 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CC[NH2+]CC4)CC3)C[C@H](C1)N2 ZINC001246886044 857605379 /nfs/dbraw/zinc/60/53/79/857605379.db2.gz IQWQHRMDFXGLNA-BHBVFMNGSA-N 2 1 350.507 0.428 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)CCC12C[NH2+]C2 ZINC001247009506 857609910 /nfs/dbraw/zinc/60/99/10/857609910.db2.gz QVQNMGAJXOSZDO-WUJZJPHMSA-N 3 1 351.491 0.762 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=S)NCC[NH+](C)C)C[C@@H]3C2)cn1 ZINC001249833829 857651442 /nfs/dbraw/zinc/65/14/42/857651442.db2.gz DTNMRHYKTSYUFH-CVEARBPZSA-N 2 1 350.536 0.610 20 0 FCADMP CC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001251771569 857749882 /nfs/dbraw/zinc/74/98/82/857749882.db2.gz XAHJSPLYQKRERM-GOSISDBHSA-N 2 1 353.507 0.793 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001252354322 857795881 /nfs/dbraw/zinc/79/58/81/857795881.db2.gz HLOXAXFIZRMVTM-UHFFFAOYSA-N 2 1 353.507 0.793 20 0 FCADMP C[N@H+]1CCCN(CC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253167042 857867817 /nfs/dbraw/zinc/86/78/17/857867817.db2.gz DMVUYUAFAZGRLO-SFHVURJKSA-N 2 1 351.491 0.188 20 0 FCADMP CCN1CC2(CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2)[C@@H](COC)C1=O ZINC001253186537 857870319 /nfs/dbraw/zinc/87/03/19/857870319.db2.gz PMYDLIQFBZPUJN-SJORKVTESA-N 2 1 355.523 0.896 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253405962 857886234 /nfs/dbraw/zinc/88/62/34/857886234.db2.gz VHHIWJJLQFQUQW-LJISPDSOSA-N 2 1 357.495 0.959 20 0 FCADMP Cn1cc[nH+]c1N([C@@H]1CCS(=O)(=O)C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001254332587 857959905 /nfs/dbraw/zinc/95/99/05/857959905.db2.gz REPRZYKDIPCELM-KGLIPLIRSA-N 2 1 354.476 0.325 20 0 FCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CCC[N@@H+](C)C2)S(C)(=O)=O)cn1 ZINC001255481635 858013819 /nfs/dbraw/zinc/01/38/19/858013819.db2.gz BTEATLVRQBOZPY-HRCADAONSA-N 2 1 355.508 0.049 20 0 FCADMP COc1cccc(OC)c1C[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001255920963 858040504 /nfs/dbraw/zinc/04/05/04/858040504.db2.gz AKAGNYBXWTXQMC-UHFFFAOYSA-N 2 1 357.476 0.546 20 0 FCADMP C[C@H](CC(=O)N1CCOCC1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001256350087 858072743 /nfs/dbraw/zinc/07/27/43/858072743.db2.gz RHGZQMXGSAHOAT-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256689173 858095540 /nfs/dbraw/zinc/09/55/40/858095540.db2.gz RVRPADDJVLVBBH-WUCCLRPBSA-N 2 1 352.397 0.990 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257742537 858159221 /nfs/dbraw/zinc/15/92/21/858159221.db2.gz CMQHZNPLNSYLDE-ARFHVFGLSA-N 2 1 355.479 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)C[NH+]1CCOCC1 ZINC001258363623 858192237 /nfs/dbraw/zinc/19/22/37/858192237.db2.gz GGOPUPTYYFJVFH-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2cnc(N)s2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279693088 863012000 /nfs/dbraw/zinc/01/20/00/863012000.db2.gz BLDIEPLIDZLQCO-QGZVFWFLSA-N 2 1 366.535 0.443 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cnc(N)s2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279693088 863012008 /nfs/dbraw/zinc/01/20/08/863012008.db2.gz BLDIEPLIDZLQCO-QGZVFWFLSA-N 2 1 366.535 0.443 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001263749045 859201968 /nfs/dbraw/zinc/20/19/68/859201968.db2.gz OWZHZQPHAVJKPW-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001263749045 859201982 /nfs/dbraw/zinc/20/19/82/859201982.db2.gz OWZHZQPHAVJKPW-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263749045 859201994 /nfs/dbraw/zinc/20/19/94/859201994.db2.gz OWZHZQPHAVJKPW-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263749045 859202006 /nfs/dbraw/zinc/20/20/06/859202006.db2.gz OWZHZQPHAVJKPW-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP COCCOC[N@@H+]1CCC[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992532 859624932 /nfs/dbraw/zinc/62/49/32/859624932.db2.gz OKEKXSYQTWDNDL-QGZVFWFLSA-N 2 1 355.483 0.137 20 0 FCADMP COCCOC[N@H+]1CCC[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992532 859624937 /nfs/dbraw/zinc/62/49/37/859624937.db2.gz OKEKXSYQTWDNDL-QGZVFWFLSA-N 2 1 355.483 0.137 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001270155881 859669654 /nfs/dbraw/zinc/66/96/54/859669654.db2.gz XCOLDNCTVSSHTM-KSSFIOAISA-N 2 1 350.463 0.010 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001270155880 859669929 /nfs/dbraw/zinc/66/99/29/859669929.db2.gz XCOLDNCTVSSHTM-KBXCAEBGSA-N 2 1 350.463 0.010 20 0 FCADMP O=C(C[NH+](CCO)CCO)N[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001270175086 859676401 /nfs/dbraw/zinc/67/64/01/859676401.db2.gz BCRJVYGVAVEYJQ-MOPGFXCFSA-N 2 1 353.507 0.767 20 0 FCADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001270332033 859719353 /nfs/dbraw/zinc/71/93/53/859719353.db2.gz DNWLATUHULRWIX-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001273249413 860426318 /nfs/dbraw/zinc/42/63/18/860426318.db2.gz VEZKEKBKFZGILQ-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001273249413 860426326 /nfs/dbraw/zinc/42/63/26/860426326.db2.gz VEZKEKBKFZGILQ-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@H+]1CCCC2(CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001273310918 860446524 /nfs/dbraw/zinc/44/65/24/860446524.db2.gz PPLKEIDFSRAMQK-UHFFFAOYSA-N 2 1 350.507 0.908 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001273312335 860447166 /nfs/dbraw/zinc/44/71/66/860447166.db2.gz DCDMLSVOMWXWPP-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1)[NH+]1CCCC1 ZINC001273503860 860510605 /nfs/dbraw/zinc/51/06/05/860510605.db2.gz QFELTPHJKXACTJ-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001274397810 860742060 /nfs/dbraw/zinc/74/20/60/860742060.db2.gz TUVXDQDAPOSFGG-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001274397810 860742084 /nfs/dbraw/zinc/74/20/84/860742084.db2.gz TUVXDQDAPOSFGG-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275176833 860979559 /nfs/dbraw/zinc/97/95/59/860979559.db2.gz LPYYOHSMBPWHHY-IEBWSBKVSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001275176833 860979573 /nfs/dbraw/zinc/97/95/73/860979573.db2.gz LPYYOHSMBPWHHY-IEBWSBKVSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)CC2 ZINC001275175777 860979719 /nfs/dbraw/zinc/97/97/19/860979719.db2.gz DCLJLAJEJRJRLS-KRWDZBQOSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001275175777 860979731 /nfs/dbraw/zinc/97/97/31/860979731.db2.gz DCLJLAJEJRJRLS-KRWDZBQOSA-N 2 1 351.539 0.108 20 0 FCADMP CCc1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)on1 ZINC001275183251 860983086 /nfs/dbraw/zinc/98/30/86/860983086.db2.gz QJCLGVMJYFDMPW-SFHVURJKSA-N 2 1 350.463 0.850 20 0 FCADMP CCc1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)on1 ZINC001275183251 860983094 /nfs/dbraw/zinc/98/30/94/860983094.db2.gz QJCLGVMJYFDMPW-SFHVURJKSA-N 2 1 350.463 0.850 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001275226548 860993630 /nfs/dbraw/zinc/99/36/30/860993630.db2.gz QCGRWFCBDXQTMH-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507463 861115363 /nfs/dbraw/zinc/11/53/63/861115363.db2.gz CFUCKEULUDPUQF-KDOFPFPSSA-N 2 1 354.495 0.141 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507463 861115366 /nfs/dbraw/zinc/11/53/66/861115366.db2.gz CFUCKEULUDPUQF-KDOFPFPSSA-N 2 1 354.495 0.141 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)N1CCOCC1 ZINC001275516305 861119251 /nfs/dbraw/zinc/11/92/51/861119251.db2.gz WLWNSEDPDKHCMW-IAGOWNOFSA-N 2 1 352.523 0.724 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275750151 861189349 /nfs/dbraw/zinc/18/93/49/861189349.db2.gz FDMPZQKZVREBEU-LJQANCHMSA-N 2 1 351.491 0.668 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]12 ZINC001279894462 863120498 /nfs/dbraw/zinc/12/04/98/863120498.db2.gz QYYUKTOCRBNJQO-HRCADAONSA-N 2 1 352.479 0.510 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](CC4(C)COC4)C[C@@H]3O2)CC1 ZINC001280180658 863311205 /nfs/dbraw/zinc/31/12/05/863311205.db2.gz PBAJLLOBATWFDO-OIISXLGYSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183462 863312729 /nfs/dbraw/zinc/31/27/29/863312729.db2.gz CDIJNXSYGQOIEJ-WDYCEAGBSA-N 2 1 351.491 0.545 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280245570 863356616 /nfs/dbraw/zinc/35/66/16/863356616.db2.gz HTIKPGLCDIYNSU-UHFFFAOYSA-N 3 1 351.539 0.110 20 0 FCADMP COCCOCN1CC2(C1)CCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246405 863358415 /nfs/dbraw/zinc/35/84/15/863358415.db2.gz XSFBUYYQXYZJOJ-UHFFFAOYSA-N 2 1 354.539 0.642 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259697 863366033 /nfs/dbraw/zinc/36/60/33/863366033.db2.gz YVEOBYABCSJRSZ-PBHICJAKSA-N 2 1 350.482 0.515 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259697 863366046 /nfs/dbraw/zinc/36/60/46/863366046.db2.gz YVEOBYABCSJRSZ-PBHICJAKSA-N 2 1 350.482 0.515 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280259531 863367030 /nfs/dbraw/zinc/36/70/30/863367030.db2.gz PYDWJMFOCQCJAC-CUSZFKRNSA-N 2 1 350.507 0.491 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280259531 863367044 /nfs/dbraw/zinc/36/70/44/863367044.db2.gz PYDWJMFOCQCJAC-CUSZFKRNSA-N 2 1 350.507 0.491 20 0 FCADMP C[N@H+]1CCC[C@@H](CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259522 863367122 /nfs/dbraw/zinc/36/71/22/863367122.db2.gz PWQJZUJUDIJJJJ-DEORAPPZSA-N 2 1 351.491 0.305 20 0 FCADMP C[N@H+]1CCC[C@H](CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259524 863367300 /nfs/dbraw/zinc/36/73/00/863367300.db2.gz PWQJZUJUDIJJJJ-MWTISTBLSA-N 2 1 351.491 0.305 20 0 FCADMP CCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001293091611 865775770 /nfs/dbraw/zinc/77/57/70/865775770.db2.gz GAPDCJZDNKCRTQ-SFHVURJKSA-N 2 1 350.511 0.828 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC001351377024 866844746 /nfs/dbraw/zinc/84/47/46/866844746.db2.gz YKUPYWHDOMJDAJ-FZDBZEDMSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@H+]1CC[Si](C)(C)CC[NH+]1C[C@H](CO)OC[C@@H]1C ZINC001351377024 866844764 /nfs/dbraw/zinc/84/47/64/866844764.db2.gz YKUPYWHDOMJDAJ-FZDBZEDMSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@@H+]1CC[Si](C)(C)CC[NH+]1C[C@H](CO)OC[C@@H]1C ZINC001351377024 866844783 /nfs/dbraw/zinc/84/47/83/866844783.db2.gz YKUPYWHDOMJDAJ-FZDBZEDMSA-N 2 1 374.598 0.858 20 0 FCADMP C/C(=C/C(=O)NCC[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC001351512859 866888873 /nfs/dbraw/zinc/88/88/73/866888873.db2.gz OVMAWEKUBZUEBZ-NHMNYBGFSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001351512859 866888879 /nfs/dbraw/zinc/88/88/79/866888879.db2.gz OVMAWEKUBZUEBZ-NHMNYBGFSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001351512859 866888881 /nfs/dbraw/zinc/88/88/81/866888881.db2.gz OVMAWEKUBZUEBZ-NHMNYBGFSA-N 2 1 350.507 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001353507471 867438775 /nfs/dbraw/zinc/43/87/75/867438775.db2.gz NHWFAWQSKDLKNJ-BRWVUGGUSA-N 2 1 353.511 0.162 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001318975595 867793804 /nfs/dbraw/zinc/79/38/04/867793804.db2.gz XIHSVEULNGJQEO-NVXWUHKLSA-N 2 1 353.511 0.032 20 0 FCADMP NC(=O)C[C@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC001319829973 868014051 /nfs/dbraw/zinc/01/40/51/868014051.db2.gz IYCBZEQMEMLJCI-IYBDPMFKSA-N 2 1 354.495 0.178 20 0 FCADMP NC(=O)C[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC001319829973 868014061 /nfs/dbraw/zinc/01/40/61/868014061.db2.gz IYCBZEQMEMLJCI-IYBDPMFKSA-N 2 1 354.495 0.178 20 0 FCADMP NC(=O)C[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC001319829973 868014074 /nfs/dbraw/zinc/01/40/74/868014074.db2.gz IYCBZEQMEMLJCI-IYBDPMFKSA-N 2 1 354.495 0.178 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608435 868033639 /nfs/dbraw/zinc/03/36/39/868033639.db2.gz NZOQZKQGEQYAEI-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001357403443 868109590 /nfs/dbraw/zinc/10/95/90/868109590.db2.gz CGWWKSUSCQZTEV-MRXNPFEDSA-N 2 1 352.523 0.820 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@@H]21 ZINC001357591225 868139491 /nfs/dbraw/zinc/13/94/91/868139491.db2.gz RDKFRLNZORTFKL-KFWWJZLASA-N 2 1 350.463 0.407 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001321821570 868627225 /nfs/dbraw/zinc/62/72/25/868627225.db2.gz NBTFDMBAYWWDRR-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001322524016 868843576 /nfs/dbraw/zinc/84/35/76/868843576.db2.gz FCQIZNABRAPEGZ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001322524016 868843589 /nfs/dbraw/zinc/84/35/89/868843589.db2.gz FCQIZNABRAPEGZ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001322524016 868843601 /nfs/dbraw/zinc/84/36/01/868843601.db2.gz FCQIZNABRAPEGZ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725293 868920538 /nfs/dbraw/zinc/92/05/38/868920538.db2.gz SWXUKUCVACDJEL-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725293 868920544 /nfs/dbraw/zinc/92/05/44/868920544.db2.gz SWXUKUCVACDJEL-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001325429042 869889452 /nfs/dbraw/zinc/88/94/52/869889452.db2.gz VBKGGOZOMJLITG-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001325429042 869889469 /nfs/dbraw/zinc/88/94/69/869889469.db2.gz VBKGGOZOMJLITG-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC001325829472 870050400 /nfs/dbraw/zinc/05/04/00/870050400.db2.gz BBDZVEXWIKVCJR-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539294 870371863 /nfs/dbraw/zinc/37/18/63/870371863.db2.gz LYDLRBYLOKVGFB-IDCNUPLLSA-N 2 1 351.491 0.985 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001343451274 870433857 /nfs/dbraw/zinc/43/38/57/870433857.db2.gz CTPVNKJKHZSQGA-INIZCTEOSA-N 2 1 351.882 0.934 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC001326819195 870513258 /nfs/dbraw/zinc/51/32/58/870513258.db2.gz KDAUEODXCLDVEH-NVXWUHKLSA-N 2 1 359.536 0.196 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001328343973 871376878 /nfs/dbraw/zinc/37/68/78/871376878.db2.gz QGRGQIGTDKJPER-BFHYXJOUSA-N 2 1 367.519 0.931 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@H](C)C1 ZINC001346550531 871896749 /nfs/dbraw/zinc/89/67/49/871896749.db2.gz YDELCSFFIPPECJ-OWCLPIDISA-N 2 1 354.495 0.242 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001347182290 872203557 /nfs/dbraw/zinc/20/35/57/872203557.db2.gz DOJANKOVCGHWSY-SJLPKXTDSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001347182290 872203577 /nfs/dbraw/zinc/20/35/77/872203577.db2.gz DOJANKOVCGHWSY-SJLPKXTDSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001347182290 872203599 /nfs/dbraw/zinc/20/35/99/872203599.db2.gz DOJANKOVCGHWSY-SJLPKXTDSA-N 2 1 352.523 0.316 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885328 872518706 /nfs/dbraw/zinc/51/87/06/872518706.db2.gz TVKFXHTWLYIWRM-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885328 872518721 /nfs/dbraw/zinc/51/87/21/872518721.db2.gz TVKFXHTWLYIWRM-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001347885328 872518737 /nfs/dbraw/zinc/51/87/37/872518737.db2.gz TVKFXHTWLYIWRM-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001347885328 872518748 /nfs/dbraw/zinc/51/87/48/872518748.db2.gz TVKFXHTWLYIWRM-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001348484416 872710608 /nfs/dbraw/zinc/71/06/08/872710608.db2.gz YDOZYTICNJNECN-DLBZAZTESA-N 2 1 356.511 0.848 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC001331904758 873297545 /nfs/dbraw/zinc/29/75/45/873297545.db2.gz HEQVSWGGXCPEPS-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001332628403 873587959 /nfs/dbraw/zinc/58/79/59/873587959.db2.gz QAIQGZVHCZXKHT-NXOAAHMSSA-N 2 1 353.511 0.160 20 0 FCADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333256958 873878038 /nfs/dbraw/zinc/87/80/38/873878038.db2.gz BUVVPUNTNMEFCF-LNLFQRSKSA-N 2 1 352.523 0.807 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821599559 945737908 /nfs/dbraw/zinc/73/79/08/945737908.db2.gz ZWOWBMYYNDHZFR-UHFFFAOYSA-N 2 1 359.478 0.815 20 0 FCADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925480 948972975 /nfs/dbraw/zinc/97/29/75/948972975.db2.gz ALFMCEJGCPLKOE-LBPRGKRZSA-N 2 1 360.466 0.578 20 0 FCADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926391 948998376 /nfs/dbraw/zinc/99/83/76/948998376.db2.gz PCOMEJMWCFJRDR-CQSZACIVSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926870 949024859 /nfs/dbraw/zinc/02/48/59/949024859.db2.gz ZJXKVJLIMGZSKQ-CYBMUJFWSA-N 2 1 374.493 0.826 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709211 949501207 /nfs/dbraw/zinc/50/12/07/949501207.db2.gz YNDDEZGKWPKJQF-CJNGLKHVSA-N 2 1 372.477 0.815 20 0 FCADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576190903 950176260 /nfs/dbraw/zinc/17/62/60/950176260.db2.gz CKAAUOKGFGTXDS-QWHCGFSZSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576197957 950398157 /nfs/dbraw/zinc/39/81/57/950398157.db2.gz QDKRFQRRHFCFSP-CYBMUJFWSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571064793 951979444 /nfs/dbraw/zinc/97/94/44/951979444.db2.gz YAERBHIFYDDMAY-CXAGYDPISA-N 2 1 369.473 0.755 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C[NH+](C)C ZINC000293185634 214153708 /nfs/dbraw/zinc/15/37/08/214153708.db2.gz NHCYJSSRNDAGQO-CYBMUJFWSA-N 2 1 363.462 0.439 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294365857 214240530 /nfs/dbraw/zinc/24/05/30/214240530.db2.gz BCXUMCIAXDNRAX-KRWDZBQOSA-N 2 1 370.457 0.940 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294365857 214240532 /nfs/dbraw/zinc/24/05/32/214240532.db2.gz BCXUMCIAXDNRAX-KRWDZBQOSA-N 2 1 370.457 0.940 20 0 FCADMP CN(Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)ccc1F)[C@@H]1COC[C@H]1O ZINC000295162587 214280289 /nfs/dbraw/zinc/28/02/89/214280289.db2.gz HDLDFXPVIADJBF-BRSBDYLESA-N 2 1 354.422 0.209 20 0 FCADMP CN(Cc1ccc(F)c(CN(C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000295162587 214280293 /nfs/dbraw/zinc/28/02/93/214280293.db2.gz HDLDFXPVIADJBF-BRSBDYLESA-N 2 1 354.422 0.209 20 0 FCADMP CC(=O)N1CCN(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265921171 210249109 /nfs/dbraw/zinc/24/91/09/210249109.db2.gz UQXURTCULOVVRF-LJQANCHMSA-N 2 1 374.485 0.168 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cn2)C1 ZINC000291509068 214039824 /nfs/dbraw/zinc/03/98/24/214039824.db2.gz QDLYGVRYPOWQRP-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)nc2)C1 ZINC000291509068 214039827 /nfs/dbraw/zinc/03/98/27/214039827.db2.gz QDLYGVRYPOWQRP-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)nc2)C1 ZINC000291509068 214039830 /nfs/dbraw/zinc/03/98/30/214039830.db2.gz QDLYGVRYPOWQRP-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000291474046 214037484 /nfs/dbraw/zinc/03/74/84/214037484.db2.gz POMGRRJLHJZAPW-RCCFBDPRSA-N 2 1 366.531 0.883 20 0 FCADMP C[NH+]1CCN(Cc2cccc(C(=O)NCC[N@H+]3CCCOCC3)c2)CC1 ZINC000189378444 529774328 /nfs/dbraw/zinc/77/43/28/529774328.db2.gz QEGNUONAXUYXMG-UHFFFAOYSA-N 2 1 360.502 0.886 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000410779297 529799481 /nfs/dbraw/zinc/79/94/81/529799481.db2.gz IQKHBVASEDLQJO-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP COCC[N@H+](CCO)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000265631613 210183003 /nfs/dbraw/zinc/18/30/03/210183003.db2.gz FXAYEJKSGUCXHT-UHFFFAOYSA-N 2 1 365.474 0.280 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000410752685 529931153 /nfs/dbraw/zinc/93/11/53/529931153.db2.gz IFBYIGAKTFFCCW-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410752685 529931154 /nfs/dbraw/zinc/93/11/54/529931154.db2.gz IFBYIGAKTFFCCW-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410752685 529931155 /nfs/dbraw/zinc/93/11/55/529931155.db2.gz IFBYIGAKTFFCCW-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000410781703 529965269 /nfs/dbraw/zinc/96/52/69/529965269.db2.gz CLAJEKWBESJTMT-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410781703 529965270 /nfs/dbraw/zinc/96/52/70/529965270.db2.gz CLAJEKWBESJTMT-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410781703 529965271 /nfs/dbraw/zinc/96/52/71/529965271.db2.gz CLAJEKWBESJTMT-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000413833688 530069012 /nfs/dbraw/zinc/06/90/12/530069012.db2.gz LLBUBKQLQVBIQV-UHFFFAOYSA-N 2 1 373.501 0.841 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCCC1 ZINC000331480404 215003887 /nfs/dbraw/zinc/00/38/87/215003887.db2.gz HWOWFMBVXKBNQL-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCSC1 ZINC000331624110 215025254 /nfs/dbraw/zinc/02/52/54/215025254.db2.gz GAHUFNVIVLTCKM-WMLDXEAASA-N 2 1 354.520 0.237 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCSC1 ZINC000331624110 215025256 /nfs/dbraw/zinc/02/52/56/215025256.db2.gz GAHUFNVIVLTCKM-WMLDXEAASA-N 2 1 354.520 0.237 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691995 215034960 /nfs/dbraw/zinc/03/49/60/215034960.db2.gz VDWBQRSAUHCODY-RKVPGOIHSA-N 2 1 368.547 0.483 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000331770814 215044831 /nfs/dbraw/zinc/04/48/31/215044831.db2.gz IDVOGNKJVHAVFZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000331770820 215045049 /nfs/dbraw/zinc/04/50/49/215045049.db2.gz IDVOGNKJVHAVFZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000331801125 215048881 /nfs/dbraw/zinc/04/88/81/215048881.db2.gz QQWGRXPIAGOLAT-ZACQAIPSSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](C)C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000331833885 215054699 /nfs/dbraw/zinc/05/46/99/215054699.db2.gz CNDQLFJVPUMMLH-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331860135 215058523 /nfs/dbraw/zinc/05/85/23/215058523.db2.gz BFQOXSXYKXLTLX-FZKCQIBNSA-N 2 1 350.507 0.809 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000331903078 215064485 /nfs/dbraw/zinc/06/44/85/215064485.db2.gz KPSGQQOVEHFAFS-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000331903078 215064488 /nfs/dbraw/zinc/06/44/88/215064488.db2.gz KPSGQQOVEHFAFS-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332273719 215121819 /nfs/dbraw/zinc/12/18/19/215121819.db2.gz GNJZWZXWLNYFFP-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332273719 215121826 /nfs/dbraw/zinc/12/18/26/215121826.db2.gz GNJZWZXWLNYFFP-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)[N@H+](C)C1 ZINC000332305351 215126297 /nfs/dbraw/zinc/12/62/97/215126297.db2.gz RFLOTQZXCGFHLQ-VJANTYMQSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)[N@@H+](C)C1 ZINC000332305351 215126300 /nfs/dbraw/zinc/12/63/00/215126300.db2.gz RFLOTQZXCGFHLQ-VJANTYMQSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[NH+](C)C1 ZINC000332305351 215126303 /nfs/dbraw/zinc/12/63/03/215126303.db2.gz RFLOTQZXCGFHLQ-VJANTYMQSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[NH+](C)C1 ZINC000332305351 215126307 /nfs/dbraw/zinc/12/63/07/215126307.db2.gz RFLOTQZXCGFHLQ-VJANTYMQSA-N 2 1 361.486 0.705 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334823 215132541 /nfs/dbraw/zinc/13/25/41/215132541.db2.gz VNXJZVYKCULIQX-OWLYRPNTSA-N 2 1 358.486 0.738 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332378469 215141163 /nfs/dbraw/zinc/14/11/63/215141163.db2.gz AJSPOVWEVZWATM-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332378469 215141167 /nfs/dbraw/zinc/14/11/67/215141167.db2.gz AJSPOVWEVZWATM-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000332552729 215178339 /nfs/dbraw/zinc/17/83/39/215178339.db2.gz QGIUFXSWQIFFHQ-XHSDSOJGSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000333007085 215222907 /nfs/dbraw/zinc/22/29/07/215222907.db2.gz AHQAIBFPHZHQQJ-IAGOWNOFSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000333144749 215242600 /nfs/dbraw/zinc/24/26/00/215242600.db2.gz ZKNLGOYKEDLQJY-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC000333144749 215242605 /nfs/dbraw/zinc/24/26/05/215242605.db2.gz ZKNLGOYKEDLQJY-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000333144749 215242607 /nfs/dbraw/zinc/24/26/07/215242607.db2.gz ZKNLGOYKEDLQJY-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cn1C ZINC000333158714 215243690 /nfs/dbraw/zinc/24/36/90/215243690.db2.gz NMHQMIKEODCDPD-UKRRQHHQSA-N 2 1 355.508 0.423 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)cn1C ZINC000333158713 215243926 /nfs/dbraw/zinc/24/39/26/215243926.db2.gz NMHQMIKEODCDPD-HIFRSBDPSA-N 2 1 355.508 0.423 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cn1C ZINC000333158715 215244117 /nfs/dbraw/zinc/24/41/17/215244117.db2.gz NMHQMIKEODCDPD-ZFWWWQNUSA-N 2 1 355.508 0.423 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333335300 215265428 /nfs/dbraw/zinc/26/54/28/215265428.db2.gz WYSPPMACGLCXQG-UYSNPLJNSA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333356020 215268549 /nfs/dbraw/zinc/26/85/49/215268549.db2.gz KIACALGCPROAHE-BZUAXINKSA-N 2 1 351.495 0.465 20 0 FCADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000333383475 215274141 /nfs/dbraw/zinc/27/41/41/215274141.db2.gz NUWYJFGCQQXXQV-CVEARBPZSA-N 2 1 356.536 0.963 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000333401808 215275160 /nfs/dbraw/zinc/27/51/60/215275160.db2.gz QBSRVYSVNJINCX-IRXDYDNUSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401808 215275164 /nfs/dbraw/zinc/27/51/64/215275164.db2.gz QBSRVYSVNJINCX-IRXDYDNUSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401808 215275168 /nfs/dbraw/zinc/27/51/68/215275168.db2.gz QBSRVYSVNJINCX-IRXDYDNUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333493335 215288654 /nfs/dbraw/zinc/28/86/54/215288654.db2.gz GZEPZMQUQFWRPS-ZXZQKFIBSA-N 2 1 350.507 0.848 20 0 FCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333595684 215300037 /nfs/dbraw/zinc/30/00/37/215300037.db2.gz OXZBJPGXQPYNDQ-HZPDHXFCSA-N 2 1 354.495 0.685 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627426 215303923 /nfs/dbraw/zinc/30/39/23/215303923.db2.gz FZUDFYAIPYCPRO-BZSNNMDCSA-N 2 1 367.538 0.563 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000333699011 215310359 /nfs/dbraw/zinc/31/03/59/215310359.db2.gz KFZGMNCLHHVLRY-UHFFFAOYSA-N 2 1 365.522 0.666 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333717280 215312067 /nfs/dbraw/zinc/31/20/67/215312067.db2.gz TYUKPRQLKRJTDM-QGZVFWFLSA-N 2 1 365.522 0.905 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333715970 215312362 /nfs/dbraw/zinc/31/23/62/215312362.db2.gz NBWIZGZKZXKOLG-ROUUACIJSA-N 2 1 368.522 0.776 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333767768 215317985 /nfs/dbraw/zinc/31/79/85/215317985.db2.gz BNALVOHFPHABSU-KSZLIROESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[NH+]1CCOCC1 ZINC000333907577 215329857 /nfs/dbraw/zinc/32/98/57/215329857.db2.gz KHTDYLUVHCBEEP-SQNIBIBYSA-N 2 1 368.522 0.881 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000333933072 215332428 /nfs/dbraw/zinc/33/24/28/215332428.db2.gz HLIFMPOSQYZSQW-HZPDHXFCSA-N 2 1 351.495 0.182 20 0 FCADMP CC1CC[NH+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333943271 215332758 /nfs/dbraw/zinc/33/27/58/215332758.db2.gz QVUGQJRBOZJISI-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000333951127 215333282 /nfs/dbraw/zinc/33/32/82/215333282.db2.gz YQUVQIFEWZRZSN-IAGOWNOFSA-N 2 1 365.522 0.714 20 0 FCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285218879 213305187 /nfs/dbraw/zinc/30/51/87/213305187.db2.gz RPCCEBFPDTVYIH-QYZOEREBSA-N 2 1 372.513 0.828 20 0 FCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285218877 213305267 /nfs/dbraw/zinc/30/52/67/213305267.db2.gz RPCCEBFPDTVYIH-GBESFXJTSA-N 2 1 372.513 0.828 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989806 213262450 /nfs/dbraw/zinc/26/24/50/213262450.db2.gz SRYNCYPKVHNCKY-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666118 213193473 /nfs/dbraw/zinc/19/34/73/213193473.db2.gz UJWACGGDFHDJQA-KXBFYZLASA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666118 213193475 /nfs/dbraw/zinc/19/34/75/213193475.db2.gz UJWACGGDFHDJQA-KXBFYZLASA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284666118 213193478 /nfs/dbraw/zinc/19/34/78/213193478.db2.gz UJWACGGDFHDJQA-KXBFYZLASA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284666118 213193482 /nfs/dbraw/zinc/19/34/82/213193482.db2.gz UJWACGGDFHDJQA-KXBFYZLASA-N 2 1 370.497 0.760 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284552690 213167248 /nfs/dbraw/zinc/16/72/48/213167248.db2.gz MCFUAVMOQHVNEP-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284552690 213167253 /nfs/dbraw/zinc/16/72/53/213167253.db2.gz MCFUAVMOQHVNEP-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284552690 213167257 /nfs/dbraw/zinc/16/72/57/213167257.db2.gz MCFUAVMOQHVNEP-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284552690 213167245 /nfs/dbraw/zinc/16/72/45/213167245.db2.gz MCFUAVMOQHVNEP-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284516077 213157393 /nfs/dbraw/zinc/15/73/93/213157393.db2.gz SWTAVMGYDJWQOQ-CABCVRRESA-N 2 1 350.463 0.799 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284516077 213157395 /nfs/dbraw/zinc/15/73/95/213157395.db2.gz SWTAVMGYDJWQOQ-CABCVRRESA-N 2 1 350.463 0.799 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284499590 213155523 /nfs/dbraw/zinc/15/55/23/213155523.db2.gz SDICNEAZNHSBOC-CQSZACIVSA-N 2 1 354.451 0.083 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284499590 213155527 /nfs/dbraw/zinc/15/55/27/213155527.db2.gz SDICNEAZNHSBOC-CQSZACIVSA-N 2 1 354.451 0.083 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284469519 213146224 /nfs/dbraw/zinc/14/62/24/213146224.db2.gz QVGPYMNGEHXBPV-CQSZACIVSA-N 2 1 350.463 0.941 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000284326514 213112940 /nfs/dbraw/zinc/11/29/40/213112940.db2.gz QBJDMQBGTNZAGK-GJZGRUSLSA-N 2 1 365.478 0.313 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000284326520 213112649 /nfs/dbraw/zinc/11/26/49/213112649.db2.gz QBJDMQBGTNZAGK-HUUCEWRRSA-N 2 1 365.478 0.313 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284192506 213094359 /nfs/dbraw/zinc/09/43/59/213094359.db2.gz UVVYZOJAQIUDKL-MRXNPFEDSA-N 2 1 353.492 0.251 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000284124987 213079332 /nfs/dbraw/zinc/07/93/32/213079332.db2.gz RNCOALQBPRMBOR-SQNIBIBYSA-N 2 1 358.486 0.958 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000283998339 213052598 /nfs/dbraw/zinc/05/25/98/213052598.db2.gz IIKCFIYTNACCIJ-DYVFJYSZSA-N 2 1 368.503 0.552 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411936266 237113237 /nfs/dbraw/zinc/11/32/37/237113237.db2.gz FKNNCQFMPBGTPB-IAGOWNOFSA-N 2 1 352.523 0.977 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000413126230 237282019 /nfs/dbraw/zinc/28/20/19/237282019.db2.gz SITRILUEPTUHJD-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000413126230 237282027 /nfs/dbraw/zinc/28/20/27/237282027.db2.gz SITRILUEPTUHJD-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764494 216027852 /nfs/dbraw/zinc/02/78/52/216027852.db2.gz WAZXMCNXHDCORE-MOPGFXCFSA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000366764494 216027855 /nfs/dbraw/zinc/02/78/55/216027855.db2.gz WAZXMCNXHDCORE-MOPGFXCFSA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000366764494 216027861 /nfs/dbraw/zinc/02/78/61/216027861.db2.gz WAZXMCNXHDCORE-MOPGFXCFSA-N 2 1 361.486 0.631 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959673 216056878 /nfs/dbraw/zinc/05/68/78/216056878.db2.gz FNPLJSQCIIKZLL-VGWMRTNUSA-N 2 1 354.470 0.478 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168208 216085808 /nfs/dbraw/zinc/08/58/08/216085808.db2.gz OHUDMUHXLIFTRL-ICSRJNTNSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168208 216085810 /nfs/dbraw/zinc/08/58/10/216085810.db2.gz OHUDMUHXLIFTRL-ICSRJNTNSA-N 2 1 371.529 0.703 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000367982787 216188174 /nfs/dbraw/zinc/18/81/74/216188174.db2.gz KUDCWIPOPPQDOV-KRWDZBQOSA-N 2 1 358.486 0.837 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000367982787 216188178 /nfs/dbraw/zinc/18/81/78/216188178.db2.gz KUDCWIPOPPQDOV-KRWDZBQOSA-N 2 1 358.486 0.837 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)CC1=O ZINC000246595631 209393670 /nfs/dbraw/zinc/39/36/70/209393670.db2.gz FYTGTZPSCUDIES-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000246595631 209393675 /nfs/dbraw/zinc/39/36/75/209393675.db2.gz FYTGTZPSCUDIES-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000246595631 209393678 /nfs/dbraw/zinc/39/36/78/209393678.db2.gz FYTGTZPSCUDIES-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)C[C@@H](C)O1 ZINC000246509457 209391366 /nfs/dbraw/zinc/39/13/66/209391366.db2.gz URORZYBZBCVXJE-NCOADZHNSA-N 2 1 354.495 0.600 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000246450184 209387413 /nfs/dbraw/zinc/38/74/13/209387413.db2.gz OQMHGXROJLBBME-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000246450184 209387416 /nfs/dbraw/zinc/38/74/16/209387416.db2.gz OQMHGXROJLBBME-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000246450184 209387418 /nfs/dbraw/zinc/38/74/18/209387418.db2.gz OQMHGXROJLBBME-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000237415806 209353192 /nfs/dbraw/zinc/35/31/92/209353192.db2.gz DSDMCNJQJQFOEY-IAGOWNOFSA-N 2 1 360.502 0.931 20 0 FCADMP Cn1cc([C@@H]2C[N@@H+](CCn3ccnc3)CCN2CCn2ccnc2)cn1 ZINC000368267313 216225813 /nfs/dbraw/zinc/22/58/13/216225813.db2.gz ZSLAPZXMCGAGKO-SFHVURJKSA-N 2 1 354.462 0.872 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000195466796 209336667 /nfs/dbraw/zinc/33/66/67/209336667.db2.gz LIYHSFXXJNEWDM-IYBDPMFKSA-N 2 1 363.506 0.074 20 0 FCADMP C[NH+]1C[C@H]2CN(c3cc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)nc4ncnn43)C[C@H]2C1 ZINC000192927008 209306241 /nfs/dbraw/zinc/30/62/41/209306241.db2.gz CDJKVRVZUUHUTN-GEEKYZPCSA-N 2 1 368.489 0.120 20 0 FCADMP C[NH+]1C[C@H]2CN(c3cc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)n4ncnc4n3)C[C@H]2C1 ZINC000192927008 209306245 /nfs/dbraw/zinc/30/62/45/209306245.db2.gz CDJKVRVZUUHUTN-GEEKYZPCSA-N 2 1 368.489 0.120 20 0 FCADMP C[NH+]1C[C@H]2CN(c3cc(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)n4ncnc4n3)C[C@H]2C1 ZINC000192927008 209306249 /nfs/dbraw/zinc/30/62/49/209306249.db2.gz CDJKVRVZUUHUTN-GEEKYZPCSA-N 2 1 368.489 0.120 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnns1 ZINC000192085656 209296537 /nfs/dbraw/zinc/29/65/37/209296537.db2.gz RIKVQRGXCQWTDT-GFCCVEGCSA-N 2 1 354.480 0.351 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038730 216338420 /nfs/dbraw/zinc/33/84/20/216338420.db2.gz OMFSYZRCXHLMSK-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+](C)CCOC)CC1=O ZINC000369038730 216338423 /nfs/dbraw/zinc/33/84/23/216338423.db2.gz OMFSYZRCXHLMSK-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+](C)CCOC)CC1=O ZINC000369038730 216338426 /nfs/dbraw/zinc/33/84/26/216338426.db2.gz OMFSYZRCXHLMSK-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369401759 216396133 /nfs/dbraw/zinc/39/61/33/216396133.db2.gz NSCXIXVRIPQLCS-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189340365 209248791 /nfs/dbraw/zinc/24/87/91/209248791.db2.gz MQOYCELAUWBYJC-WSTZPKSXSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189340365 209248794 /nfs/dbraw/zinc/24/87/94/209248794.db2.gz MQOYCELAUWBYJC-WSTZPKSXSA-N 2 1 374.529 0.764 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000369912812 216467650 /nfs/dbraw/zinc/46/76/50/216467650.db2.gz KTHDTSFLQWSZMT-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000188945310 209243201 /nfs/dbraw/zinc/24/32/01/209243201.db2.gz OSYLIRRXZMFLOJ-IAGOWNOFSA-N 2 1 369.554 0.357 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)N1CCOCC1 ZINC000188551440 209232776 /nfs/dbraw/zinc/23/27/76/209232776.db2.gz SWFBVBRQHULRBM-OWCLPIDISA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)N1CCOCC1 ZINC000188551466 209231669 /nfs/dbraw/zinc/23/16/69/209231669.db2.gz SWFBVBRQHULRBM-HRCADAONSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000188358156 209228631 /nfs/dbraw/zinc/22/86/31/209228631.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000188358156 209228633 /nfs/dbraw/zinc/22/86/33/209228633.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000187261491 209208576 /nfs/dbraw/zinc/20/85/76/209208576.db2.gz NROCIUXTVIBOMC-KRWDZBQOSA-N 2 1 360.502 0.967 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000187261491 209208579 /nfs/dbraw/zinc/20/85/79/209208579.db2.gz NROCIUXTVIBOMC-KRWDZBQOSA-N 2 1 360.502 0.967 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187191960 209207390 /nfs/dbraw/zinc/20/73/90/209207390.db2.gz OBUQEHPDWFAYNV-IAGOWNOFSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187191960 209207393 /nfs/dbraw/zinc/20/73/93/209207393.db2.gz OBUQEHPDWFAYNV-IAGOWNOFSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187191960 209207396 /nfs/dbraw/zinc/20/73/96/209207396.db2.gz OBUQEHPDWFAYNV-IAGOWNOFSA-N 2 1 370.538 0.830 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275436659 212028193 /nfs/dbraw/zinc/02/81/93/212028193.db2.gz JRRVFJYWHSCUNO-MRXNPFEDSA-N 2 1 362.474 0.566 20 0 FCADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487490 674117273 /nfs/dbraw/zinc/11/72/73/674117273.db2.gz CDBZWVIRKZDFKJ-GJZGRUSLSA-N 2 1 354.495 0.779 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414743885 245318988 /nfs/dbraw/zinc/31/89/88/245318988.db2.gz VKSQYOJGYFBXIQ-IUODEOHRSA-N 2 1 356.492 0.986 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000414906943 245330712 /nfs/dbraw/zinc/33/07/12/245330712.db2.gz CUCQGGQDIKVABU-UHFFFAOYSA-N 2 1 362.474 0.650 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC(C)(C)[NH3+] ZINC000415063242 245343023 /nfs/dbraw/zinc/34/30/23/245343023.db2.gz HKMWLFNUNIISOE-UHFFFAOYSA-N 2 1 363.462 0.942 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415070414 245346701 /nfs/dbraw/zinc/34/67/01/245346701.db2.gz UXYBJDRRMJRRTE-ZDUSSCGKSA-N 2 1 363.462 0.799 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000415151302 245350025 /nfs/dbraw/zinc/35/00/25/245350025.db2.gz AIBODWOGXYPMHI-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000415151302 245350032 /nfs/dbraw/zinc/35/00/32/245350032.db2.gz AIBODWOGXYPMHI-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172643 245355958 /nfs/dbraw/zinc/35/59/58/245355958.db2.gz SYBRPLLJTZCICW-PBHICJAKSA-N 2 1 360.458 0.905 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000414936121 245334297 /nfs/dbraw/zinc/33/42/97/245334297.db2.gz BQKTWONNJQDKEA-DNVCBOLYSA-N 2 1 369.506 0.925 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000414952967 245336833 /nfs/dbraw/zinc/33/68/33/245336833.db2.gz RHDKVBBKFGRBGC-INIZCTEOSA-N 2 1 360.458 0.525 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000415294341 245379235 /nfs/dbraw/zinc/37/92/35/245379235.db2.gz OAEPYAMVQOGLEF-IJEWVQPXSA-N 2 1 360.458 0.794 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000415294341 245379239 /nfs/dbraw/zinc/37/92/39/245379239.db2.gz OAEPYAMVQOGLEF-IJEWVQPXSA-N 2 1 360.458 0.794 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000415301358 245382486 /nfs/dbraw/zinc/38/24/86/245382486.db2.gz AELRKHFDJRONJA-GJZGRUSLSA-N 2 1 362.474 0.960 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000373505378 217026016 /nfs/dbraw/zinc/02/60/16/217026016.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373505378 217026017 /nfs/dbraw/zinc/02/60/17/217026017.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373505378 217026018 /nfs/dbraw/zinc/02/60/18/217026018.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373505378 217026019 /nfs/dbraw/zinc/02/60/19/217026019.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373505378 217026020 /nfs/dbraw/zinc/02/60/20/217026020.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1(C)C ZINC000374149698 217103036 /nfs/dbraw/zinc/10/30/36/217103036.db2.gz UEQSVWCHWMVQBL-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000374073805 217092850 /nfs/dbraw/zinc/09/28/50/217092850.db2.gz DREIGMRAGHGJQE-UHFFFAOYSA-N 2 1 374.551 0.192 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179938 217105783 /nfs/dbraw/zinc/10/57/83/217105783.db2.gz XEFODQXLUBKVGV-HZPDHXFCSA-N 2 1 350.507 0.907 20 0 FCADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000374803171 217177131 /nfs/dbraw/zinc/17/71/31/217177131.db2.gz TUFLYUCPAVXOQI-GOSISDBHSA-N 2 1 364.486 0.894 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417542278 245706134 /nfs/dbraw/zinc/70/61/34/245706134.db2.gz DKZDHGWKTOXAFR-WMLDXEAASA-N 2 1 361.490 0.920 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419129473 246005424 /nfs/dbraw/zinc/00/54/24/246005424.db2.gz DDWDLXUKVUJWRN-RXVVDRJESA-N 2 1 370.497 0.979 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419153377 246019811 /nfs/dbraw/zinc/01/98/11/246019811.db2.gz PQXKIFJUUWCQBL-GJZGRUSLSA-N 2 1 364.515 0.945 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419156523 246021600 /nfs/dbraw/zinc/02/16/00/246021600.db2.gz VJTUCVXGZOLYEP-BBRMVZONSA-N 2 1 364.515 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131309 246007715 /nfs/dbraw/zinc/00/77/15/246007715.db2.gz CKGGTTGAAGCUIN-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419135399 246008734 /nfs/dbraw/zinc/00/87/34/246008734.db2.gz MMRNKOPKPFOQLB-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419140872 246013147 /nfs/dbraw/zinc/01/31/47/246013147.db2.gz WMLUDZMZTSFZBR-QYZOEREBSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148572 246017090 /nfs/dbraw/zinc/01/70/90/246017090.db2.gz DJRRWCDKNHEYNX-FUHWJXTLSA-N 2 1 358.486 0.488 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419165474 246028832 /nfs/dbraw/zinc/02/88/32/246028832.db2.gz GLIYTFVIMNWTKV-CVEARBPZSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000419165202 246029004 /nfs/dbraw/zinc/02/90/04/246029004.db2.gz FYCFWDQDLKKBIX-KBAYOESNSA-N 2 1 358.486 0.473 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419168455 246030121 /nfs/dbraw/zinc/03/01/21/246030121.db2.gz SHONQCRICQIKTJ-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419170874 246031914 /nfs/dbraw/zinc/03/19/14/246031914.db2.gz ODOSKPQOUODXAN-ROUUACIJSA-N 2 1 358.486 0.535 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419175986 246035238 /nfs/dbraw/zinc/03/52/38/246035238.db2.gz YLFNHNOVGOVMSE-ZACQAIPSSA-N 2 1 368.522 0.722 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1(C)C ZINC000419179367 246038027 /nfs/dbraw/zinc/03/80/27/246038027.db2.gz IHVASKKZLVMSBY-OAHLLOKOSA-N 2 1 367.538 0.023 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419185224 246040669 /nfs/dbraw/zinc/04/06/69/246040669.db2.gz OMWJAPRAEPEUDP-SJORKVTESA-N 2 1 366.506 0.394 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419210941 246056196 /nfs/dbraw/zinc/05/61/96/246056196.db2.gz RUXIDKRRMRIWPG-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419211518 246056744 /nfs/dbraw/zinc/05/67/44/246056744.db2.gz SMYBXPWJKJHOLL-SQNIBIBYSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419211062 246056959 /nfs/dbraw/zinc/05/69/59/246056959.db2.gz YRPXAGZQMMWDDA-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212213 246057876 /nfs/dbraw/zinc/05/78/76/246057876.db2.gz UJJPLBQTTPPXTI-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000419216204 246059025 /nfs/dbraw/zinc/05/90/25/246059025.db2.gz ZUILCZXEGXMBCI-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419224765 246064706 /nfs/dbraw/zinc/06/47/06/246064706.db2.gz BZDAISUAXQUWCN-JKSUJKDBSA-N 2 1 358.486 0.617 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419224765 246064709 /nfs/dbraw/zinc/06/47/09/246064709.db2.gz BZDAISUAXQUWCN-JKSUJKDBSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419228490 246067384 /nfs/dbraw/zinc/06/73/84/246067384.db2.gz GTCOTBYFMWBQGJ-CRAIPNDOSA-N 2 1 374.485 0.044 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419228490 246067388 /nfs/dbraw/zinc/06/73/88/246067388.db2.gz GTCOTBYFMWBQGJ-CRAIPNDOSA-N 2 1 374.485 0.044 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419226718 246064736 /nfs/dbraw/zinc/06/47/36/246064736.db2.gz DQCJXJYNFBBFDI-KKSFZXQISA-N 2 1 370.497 0.761 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419226718 246064741 /nfs/dbraw/zinc/06/47/41/246064741.db2.gz DQCJXJYNFBBFDI-KKSFZXQISA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419235543 246072242 /nfs/dbraw/zinc/07/22/42/246072242.db2.gz NEBKIKSZHKRXRZ-QAPCUYQASA-N 2 1 374.485 0.126 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419235543 246072246 /nfs/dbraw/zinc/07/22/46/246072246.db2.gz NEBKIKSZHKRXRZ-QAPCUYQASA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000419247990 246076033 /nfs/dbraw/zinc/07/60/33/246076033.db2.gz XSGSNCJKHQSZHA-AEGPPILISA-N 2 1 362.499 0.289 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000419247990 246076036 /nfs/dbraw/zinc/07/60/36/246076036.db2.gz XSGSNCJKHQSZHA-AEGPPILISA-N 2 1 362.499 0.289 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419251165 246076947 /nfs/dbraw/zinc/07/69/47/246076947.db2.gz ZVEVWTDSLFKHAR-GXTWGEPZSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419251165 246076950 /nfs/dbraw/zinc/07/69/50/246076950.db2.gz ZVEVWTDSLFKHAR-GXTWGEPZSA-N 2 1 350.488 0.479 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419264167 246079274 /nfs/dbraw/zinc/07/92/74/246079274.db2.gz AQPZHVZEVJPJSW-QGZVFWFLSA-N 2 1 360.458 0.085 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000419304939 246093088 /nfs/dbraw/zinc/09/30/88/246093088.db2.gz VIWOTHDVWPSEIY-HZPDHXFCSA-N 2 1 373.501 0.918 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000419298240 246089712 /nfs/dbraw/zinc/08/97/12/246089712.db2.gz HVQGNNSNLCUISB-MRXNPFEDSA-N 2 1 359.474 0.685 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419388626 246129985 /nfs/dbraw/zinc/12/99/85/246129985.db2.gz SHANMUDPBWGJGX-GXTWGEPZSA-N 2 1 351.451 0.317 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000419356909 246115805 /nfs/dbraw/zinc/11/58/05/246115805.db2.gz OOLQFZWNVYRUAP-INIZCTEOSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419414190 246147241 /nfs/dbraw/zinc/14/72/41/246147241.db2.gz SZBRCCILANBRRV-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419415796 246149366 /nfs/dbraw/zinc/14/93/66/246149366.db2.gz GNVATMQLMRUJFD-ZWKOTPCHSA-N 2 1 358.486 0.937 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000419416063 246149418 /nfs/dbraw/zinc/14/94/18/246149418.db2.gz VTZDJFOMUXXJRB-PBHICJAKSA-N 2 1 352.504 0.973 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000419395760 246132233 /nfs/dbraw/zinc/13/22/33/246132233.db2.gz RFAJJEHPMNVBHK-GBESFXJTSA-N 2 1 370.497 0.747 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000419395760 246132239 /nfs/dbraw/zinc/13/22/39/246132239.db2.gz RFAJJEHPMNVBHK-GBESFXJTSA-N 2 1 370.497 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399418 246133888 /nfs/dbraw/zinc/13/38/88/246133888.db2.gz JUJXCOCOFBIANF-DZGCQCFKSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399418 246133893 /nfs/dbraw/zinc/13/38/93/246133893.db2.gz JUJXCOCOFBIANF-DZGCQCFKSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398635 246135831 /nfs/dbraw/zinc/13/58/31/246135831.db2.gz IEZDSKAIQFMHSW-HOCLYGCPSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398635 246135836 /nfs/dbraw/zinc/13/58/36/246135836.db2.gz IEZDSKAIQFMHSW-HOCLYGCPSA-N 2 1 364.515 0.526 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419402147 246136297 /nfs/dbraw/zinc/13/62/97/246136297.db2.gz BHOIEANEHWFMJN-ROUUACIJSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401998 246137080 /nfs/dbraw/zinc/13/70/80/246137080.db2.gz PRBCWOYFWMIEMG-OWYHZJEWSA-N 2 1 370.497 0.834 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419403204 246138196 /nfs/dbraw/zinc/13/81/96/246138196.db2.gz CWZCNESUCIYPRL-QZTJIDSGSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419407133 246140315 /nfs/dbraw/zinc/14/03/15/246140315.db2.gz KCQJMHFYZZWEGU-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419408264 246141717 /nfs/dbraw/zinc/14/17/17/246141717.db2.gz LRBFLVKUUZSPPW-ROUUACIJSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407755 246141897 /nfs/dbraw/zinc/14/18/97/246141897.db2.gz YZXUMPSJEDBKGU-NUJGCVRESA-N 2 1 358.486 0.834 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419411925 246144438 /nfs/dbraw/zinc/14/44/38/246144438.db2.gz CDMUDLCLSWDKLB-OALUTQOASA-N 2 1 370.497 0.619 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419422726 246154398 /nfs/dbraw/zinc/15/43/98/246154398.db2.gz XMUCYCRVHQDORC-ROUUACIJSA-N 2 1 374.485 0.118 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419422726 246154407 /nfs/dbraw/zinc/15/44/07/246154407.db2.gz XMUCYCRVHQDORC-ROUUACIJSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419454410 246171191 /nfs/dbraw/zinc/17/11/91/246171191.db2.gz TYUSQOUVMSXJIT-INIZCTEOSA-N 2 1 373.501 0.182 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419423957 246157090 /nfs/dbraw/zinc/15/70/90/246157090.db2.gz NSFVWOFOOJJJII-SFHVURJKSA-N 2 1 374.485 0.046 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419454440 246171004 /nfs/dbraw/zinc/17/10/04/246171004.db2.gz UDTLIHZGSLFPTL-QAPCUYQASA-N 2 1 373.501 0.167 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccsc1 ZINC000419419060 246151544 /nfs/dbraw/zinc/15/15/44/246151544.db2.gz YUKLXMCWDPPVFI-AWEZNQCLSA-N 2 1 352.504 0.973 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419419905 246152397 /nfs/dbraw/zinc/15/23/97/246152397.db2.gz ZOBNBLHIGXGLCZ-QZTJIDSGSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505661 246183158 /nfs/dbraw/zinc/18/31/58/246183158.db2.gz MFUVVTPLXNBPSV-YJBOKZPZSA-N 2 1 373.501 0.167 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419506753 246185110 /nfs/dbraw/zinc/18/51/10/246185110.db2.gz NFWDDOBKPNRRIW-QRVBRYPASA-N 2 1 370.497 0.978 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513680 246187241 /nfs/dbraw/zinc/18/72/41/246187241.db2.gz MPONIKNFTBVSTQ-JKSUJKDBSA-N 2 1 362.474 0.957 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000419517527 246187923 /nfs/dbraw/zinc/18/79/23/246187923.db2.gz XBYSFIILNVDPDO-ZACQAIPSSA-N 2 1 374.485 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419523779 246190865 /nfs/dbraw/zinc/19/08/65/246190865.db2.gz BFBFLVSGLOWCGY-ATLSCFEFSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419524581 246192537 /nfs/dbraw/zinc/19/25/37/246192537.db2.gz BWQUPCZZYQCOJY-SOLBZPMBSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419476916 246176408 /nfs/dbraw/zinc/17/64/08/246176408.db2.gz QNQUUHDNZAPUAC-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419484320 246178074 /nfs/dbraw/zinc/17/80/74/246178074.db2.gz SZFVJBWLXFJQPV-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419543582 246196788 /nfs/dbraw/zinc/19/67/88/246196788.db2.gz FWBFUNXZHXIBIE-DZGCQCFKSA-N 2 1 352.504 0.925 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC[N@H+]1C ZINC000419539314 246197086 /nfs/dbraw/zinc/19/70/86/246197086.db2.gz AXWACODMZPKKON-XLNGHYISSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000419620643 246220097 /nfs/dbraw/zinc/22/00/97/246220097.db2.gz DDVNJGATIRGNOV-RPVQJOFSSA-N 2 1 374.460 0.845 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000419630237 246223602 /nfs/dbraw/zinc/22/36/02/246223602.db2.gz SRTKKEAFLZUJIC-JCGIZDLHSA-N 2 1 356.470 0.706 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000419630236 246224717 /nfs/dbraw/zinc/22/47/17/246224717.db2.gz SRTKKEAFLZUJIC-FHLIZLRMSA-N 2 1 356.470 0.706 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419701386 246257225 /nfs/dbraw/zinc/25/72/25/246257225.db2.gz ASJXIQXWGZXAFX-JQHSSLGASA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000419755868 246285251 /nfs/dbraw/zinc/28/52/51/246285251.db2.gz FNARFYRWODLRHW-HOCLYGCPSA-N 2 1 364.465 0.878 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419760018 246288462 /nfs/dbraw/zinc/28/84/62/246288462.db2.gz NGISKYAVDNOOAX-HNNXBMFYSA-N 2 1 350.438 0.490 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])Cc1ccc(F)cc1 ZINC000419765333 246289021 /nfs/dbraw/zinc/28/90/21/246289021.db2.gz WZJGDWPUFUSJMS-INIZCTEOSA-N 2 1 350.438 0.714 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000419778210 246292937 /nfs/dbraw/zinc/29/29/37/246292937.db2.gz OHANXDMOKLTSPR-KFWWJZLASA-N 2 1 354.495 0.188 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419725614 246272987 /nfs/dbraw/zinc/27/29/87/246272987.db2.gz IPCNLBWQBUCPFS-INIZCTEOSA-N 2 1 354.495 0.252 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000419728233 246274677 /nfs/dbraw/zinc/27/46/77/246274677.db2.gz XZMJIQLKNGTCPK-UHFFFAOYSA-N 2 1 362.474 0.203 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419873234 246340686 /nfs/dbraw/zinc/34/06/86/246340686.db2.gz YUTBZOIMLQJNBW-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419873234 246340691 /nfs/dbraw/zinc/34/06/91/246340691.db2.gz YUTBZOIMLQJNBW-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])C[C@@H](C)O1 ZINC000419835222 246312009 /nfs/dbraw/zinc/31/20/09/246312009.db2.gz YHYLDNGBSMBZEV-HUUCEWRRSA-N 2 1 362.474 0.329 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419836972 246312630 /nfs/dbraw/zinc/31/26/30/246312630.db2.gz CKTMPYNQTWQHIJ-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419842885 246315793 /nfs/dbraw/zinc/31/57/93/246315793.db2.gz ILMUMBLXGXBDQY-QGZVFWFLSA-N 2 1 361.490 0.620 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846088 246318267 /nfs/dbraw/zinc/31/82/67/246318267.db2.gz RALJRHKPVJASSG-ZWKOTPCHSA-N 2 1 373.501 0.763 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867462 246334622 /nfs/dbraw/zinc/33/46/22/246334622.db2.gz KYWWRIVCTMEMOF-QGZVFWFLSA-N 2 1 367.538 0.169 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419869060 246337521 /nfs/dbraw/zinc/33/75/21/246337521.db2.gz RGOUTPURVKCCHQ-VKJFTORMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419869060 246337525 /nfs/dbraw/zinc/33/75/25/246337525.db2.gz RGOUTPURVKCCHQ-VKJFTORMSA-N 2 1 358.486 0.961 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000419930189 246372136 /nfs/dbraw/zinc/37/21/36/246372136.db2.gz AJKSDVLDEOEKEW-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000419930189 246372140 /nfs/dbraw/zinc/37/21/40/246372140.db2.gz AJKSDVLDEOEKEW-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419931165 246376704 /nfs/dbraw/zinc/37/67/04/246376704.db2.gz CUEUNEYXKJMAQY-OAHLLOKOSA-N 2 1 364.515 0.693 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419874063 246342466 /nfs/dbraw/zinc/34/24/66/246342466.db2.gz ZNAYGIPRTAUQKJ-SFHVURJKSA-N 2 1 358.486 0.489 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419878141 246345475 /nfs/dbraw/zinc/34/54/75/246345475.db2.gz YNBRHBIJJLFSBF-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419881811 246348625 /nfs/dbraw/zinc/34/86/25/246348625.db2.gz UOYVVSJEVODQHU-CABCVRRESA-N 2 1 354.495 0.189 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419892191 246354075 /nfs/dbraw/zinc/35/40/75/246354075.db2.gz JBUIIEKXNGMXKI-GASCZTMLSA-N 2 1 354.495 0.060 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419891954 246354526 /nfs/dbraw/zinc/35/45/26/246354526.db2.gz UNOOPMRSOZYMBW-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419892764 246354859 /nfs/dbraw/zinc/35/48/59/246354859.db2.gz JTLASVMTWRGEQO-ZWKOTPCHSA-N 2 1 358.486 0.759 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896490 246357538 /nfs/dbraw/zinc/35/75/38/246357538.db2.gz XSKWGIPFJRAQOW-DLBZAZTESA-N 2 1 359.474 0.373 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896492 246357610 /nfs/dbraw/zinc/35/76/10/246357610.db2.gz XSKWGIPFJRAQOW-IAGOWNOFSA-N 2 1 359.474 0.373 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419905079 246362172 /nfs/dbraw/zinc/36/21/72/246362172.db2.gz UPJFWOUYHPOVPW-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419906151 246362446 /nfs/dbraw/zinc/36/24/46/246362446.db2.gz ZWDRBDBBBAXSMI-CQSZACIVSA-N 2 1 350.488 0.303 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419954614 246385833 /nfs/dbraw/zinc/38/58/33/246385833.db2.gz MHIZCORRCWCNCV-SFHVURJKSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419958306 246388144 /nfs/dbraw/zinc/38/81/44/246388144.db2.gz QDZPXPPYMPSXJL-KFWWJZLASA-N 2 1 354.495 0.045 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000419967923 246392763 /nfs/dbraw/zinc/39/27/63/246392763.db2.gz OYZNCNSTMOVOKR-WBVHZDCISA-N 2 1 366.506 0.191 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419974002 246395635 /nfs/dbraw/zinc/39/56/35/246395635.db2.gz IPYIFDFUPQRWLH-JZXOWHBKSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419999758 246408256 /nfs/dbraw/zinc/40/82/56/246408256.db2.gz SLNSXGBHVLAJEE-NVXWUHKLSA-N 2 1 361.490 0.748 20 0 FCADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000420382619 246553371 /nfs/dbraw/zinc/55/33/71/246553371.db2.gz AUVOXEZWRQXFDF-UHFFFAOYSA-N 2 1 371.503 0.628 20 0 FCADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000420382619 246553376 /nfs/dbraw/zinc/55/33/76/246553376.db2.gz AUVOXEZWRQXFDF-UHFFFAOYSA-N 2 1 371.503 0.628 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423369890 247013762 /nfs/dbraw/zinc/01/37/62/247013762.db2.gz CKAFBIDEHCOKDU-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423369890 247013765 /nfs/dbraw/zinc/01/37/65/247013765.db2.gz CKAFBIDEHCOKDU-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000423393586 247018499 /nfs/dbraw/zinc/01/84/99/247018499.db2.gz YVMZGOMXGKPIJS-HNNXBMFYSA-N 2 1 360.458 0.970 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308505 247002049 /nfs/dbraw/zinc/00/20/49/247002049.db2.gz ONLKSVDXRJWIRL-AEFFLSMTSA-N 2 1 358.486 0.787 20 0 FCADMP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000423547870 247049004 /nfs/dbraw/zinc/04/90/04/247049004.db2.gz QKNUJEBZPCQLIA-KRWDZBQOSA-N 2 1 360.458 0.797 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423557781 247052169 /nfs/dbraw/zinc/05/21/69/247052169.db2.gz COIJRHCSGZXWRJ-YLJYHZDGSA-N 2 1 374.485 0.032 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423479424 247035327 /nfs/dbraw/zinc/03/53/27/247035327.db2.gz VEDFTMBMLZFRML-HUUCEWRRSA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423479424 247035332 /nfs/dbraw/zinc/03/53/32/247035332.db2.gz VEDFTMBMLZFRML-HUUCEWRRSA-N 2 1 356.511 0.122 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000423493533 247037738 /nfs/dbraw/zinc/03/77/38/247037738.db2.gz BSRLMNLZZIAEDK-SNRMKQJTSA-N 2 1 360.502 0.893 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423673656 247105257 /nfs/dbraw/zinc/10/52/57/247105257.db2.gz GDJUVRKSJLWOKZ-UWJYYQICSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000423621951 247078605 /nfs/dbraw/zinc/07/86/05/247078605.db2.gz LOBVUBDORZJXIQ-GOEBONIOSA-N 2 1 352.479 0.038 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423618751 247079510 /nfs/dbraw/zinc/07/95/10/247079510.db2.gz HWTMFMFNDZZNCY-HNNXBMFYSA-N 2 1 354.495 0.286 20 0 FCADMP C[C@@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423696730 247114574 /nfs/dbraw/zinc/11/45/74/247114574.db2.gz MFADMUCZAUZZNZ-HOTGVXAUSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656019 247096455 /nfs/dbraw/zinc/09/64/55/247096455.db2.gz TWHIFYRGHJYPRI-OWYHZJEWSA-N 2 1 370.497 0.773 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423658404 247096474 /nfs/dbraw/zinc/09/64/74/247096474.db2.gz FXMDWTRFXIGYQN-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000423658404 247096478 /nfs/dbraw/zinc/09/64/78/247096478.db2.gz FXMDWTRFXIGYQN-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771363 247139662 /nfs/dbraw/zinc/13/96/62/247139662.db2.gz FVZUSZWEJWFNQX-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc[nH+]1 ZINC000423923024 247150113 /nfs/dbraw/zinc/15/01/13/247150113.db2.gz KMNMGLPEIYSRFA-UYAYXHRUSA-N 2 1 362.453 0.575 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000423922666 247151614 /nfs/dbraw/zinc/15/16/14/247151614.db2.gz KDJCRFZKELNZFI-IHRRRGAJSA-N 2 1 350.442 0.718 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703611 247116078 /nfs/dbraw/zinc/11/60/78/247116078.db2.gz CEUUPKHWTMRTLE-ZWKOTPCHSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423705373 247117564 /nfs/dbraw/zinc/11/75/64/247117564.db2.gz HIACPCAPDCBUFJ-OAHLLOKOSA-N 3 1 350.511 0.832 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423713816 247120517 /nfs/dbraw/zinc/12/05/17/247120517.db2.gz WNJLFGWXNRQRMG-BZSNNMDCSA-N 2 1 356.470 0.527 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000423714980 247120703 /nfs/dbraw/zinc/12/07/03/247120703.db2.gz GWMDWIKCTRBTAJ-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)CCO1 ZINC000423716984 247122900 /nfs/dbraw/zinc/12/29/00/247122900.db2.gz ASUROBTVFCWUSA-INMHGKMJSA-N 2 1 366.506 0.284 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)c1 ZINC000423726055 247128213 /nfs/dbraw/zinc/12/82/13/247128213.db2.gz IAFKNQIZXPKIPL-HOTGVXAUSA-N 2 1 359.474 0.624 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423730388 247130768 /nfs/dbraw/zinc/13/07/68/247130768.db2.gz XWNPCGKWKPQHRQ-HRCADAONSA-N 2 1 368.522 0.530 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424294427 247195340 /nfs/dbraw/zinc/19/53/40/247195340.db2.gz QILRJBAYJJEDJG-UHFFFAOYSA-N 3 1 360.506 0.724 20 0 FCADMP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424058462 247164091 /nfs/dbraw/zinc/16/40/91/247164091.db2.gz LCCGYPVBMJIRHY-CYBMUJFWSA-N 2 1 355.446 0.934 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000424149829 247174296 /nfs/dbraw/zinc/17/42/96/247174296.db2.gz XMULJPGLCCLLKC-KFWWJZLASA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@H+]1C[C@@H](C)O ZINC000424149829 247174303 /nfs/dbraw/zinc/17/43/03/247174303.db2.gz XMULJPGLCCLLKC-KFWWJZLASA-N 2 1 350.467 0.120 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000424494311 247240060 /nfs/dbraw/zinc/24/00/60/247240060.db2.gz MZTQLXMCKDLCLH-RBUKOAKNSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540026 247254840 /nfs/dbraw/zinc/25/48/40/247254840.db2.gz FYAQBBLEAVSZFX-XGXHKWSGSA-N 2 1 370.497 0.976 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000424498026 247242066 /nfs/dbraw/zinc/24/20/66/247242066.db2.gz YKJJJKHKJMFNRV-CABCVRRESA-N 2 1 354.495 0.141 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)CC[NH2+]CC2 ZINC000424501691 247243293 /nfs/dbraw/zinc/24/32/93/247243293.db2.gz FTPFWKAYBGBDDA-LSDHHAIUSA-N 2 1 362.474 0.989 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424524376 247250402 /nfs/dbraw/zinc/25/04/02/247250402.db2.gz PRDDKNIIFSDNLH-CEXWTWQISA-N 2 1 370.497 0.835 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000424451337 247221460 /nfs/dbraw/zinc/22/14/60/247221460.db2.gz BFGGHKVMLTYYLE-OAHLLOKOSA-N 2 1 361.490 0.534 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424450450 247221946 /nfs/dbraw/zinc/22/19/46/247221946.db2.gz XPCLIVIHTJKQKQ-UHFFFAOYSA-N 2 1 362.474 0.961 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000424462300 247226537 /nfs/dbraw/zinc/22/65/37/247226537.db2.gz FJJMLQRVXLKZNO-UHFFFAOYSA-N 2 1 361.490 0.534 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000424472065 247229893 /nfs/dbraw/zinc/22/98/93/247229893.db2.gz UJHOACGSEWBRSF-UHFFFAOYSA-N 2 1 363.506 0.734 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000424472065 247229897 /nfs/dbraw/zinc/22/98/97/247229897.db2.gz UJHOACGSEWBRSF-UHFFFAOYSA-N 2 1 363.506 0.734 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540021 247255921 /nfs/dbraw/zinc/25/59/21/247255921.db2.gz FYAQBBLEAVSZFX-GDAAHCPNSA-N 2 1 370.497 0.976 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322409 247323181 /nfs/dbraw/zinc/32/31/81/247323181.db2.gz TUYQDAOELWOLFH-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CSCC[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000272500231 211557663 /nfs/dbraw/zinc/55/76/63/211557663.db2.gz VRKFKNJUCFNMDG-INIZCTEOSA-N 2 1 351.520 0.790 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000436321972 248038927 /nfs/dbraw/zinc/03/89/27/248038927.db2.gz LYZSTAQCNHHMOL-INIZCTEOSA-N 2 1 358.527 0.831 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000436061483 248031298 /nfs/dbraw/zinc/03/12/98/248031298.db2.gz PTMZNVRDXSMDAW-MRXNPFEDSA-N 2 1 357.462 0.524 20 0 FCADMP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000440980608 248229608 /nfs/dbraw/zinc/22/96/08/248229608.db2.gz NHUSXZSSXJUNBM-QGZVFWFLSA-N 2 1 368.570 0.195 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442610218 248293108 /nfs/dbraw/zinc/29/31/08/248293108.db2.gz NLQGUONPDWVXFO-KRWDZBQOSA-N 2 1 369.554 0.404 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630472 248333516 /nfs/dbraw/zinc/33/35/16/248333516.db2.gz JXCCLMQOVTVXTC-WBVHZDCISA-N 2 1 367.538 0.911 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000443633594 248333544 /nfs/dbraw/zinc/33/35/44/248333544.db2.gz WAEASMFXSNQIEZ-WBVHZDCISA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000443633594 248333547 /nfs/dbraw/zinc/33/35/47/248333547.db2.gz WAEASMFXSNQIEZ-WBVHZDCISA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)CC1 ZINC000444171842 248349746 /nfs/dbraw/zinc/34/97/46/248349746.db2.gz QDEZCXITFOUOBK-PXNSSMCTSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444254988 248353439 /nfs/dbraw/zinc/35/34/39/248353439.db2.gz WMSWYCYXMDZLLK-KURKYZTESA-N 2 1 354.539 0.754 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867585 248378492 /nfs/dbraw/zinc/37/84/92/248378492.db2.gz WURACDWFLCCETA-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446363008 248388208 /nfs/dbraw/zinc/38/82/08/248388208.db2.gz JZLSTWDQYPXUAG-MDZRGWNJSA-N 2 1 351.491 0.842 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349788 249308733 /nfs/dbraw/zinc/30/87/33/249308733.db2.gz CAOOFBKKKTUDIZ-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349788 249308738 /nfs/dbraw/zinc/30/87/38/249308738.db2.gz CAOOFBKKKTUDIZ-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452349788 249308744 /nfs/dbraw/zinc/30/87/44/249308744.db2.gz CAOOFBKKKTUDIZ-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452349788 249308748 /nfs/dbraw/zinc/30/87/48/249308748.db2.gz CAOOFBKKKTUDIZ-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+](C)CCOc1cc(CNC(=O)NCC[NH+]2CCSCC2)ccn1 ZINC000270752876 211260940 /nfs/dbraw/zinc/26/09/40/211260940.db2.gz YWIKBHNVGRLHEO-UHFFFAOYSA-N 2 1 367.519 0.870 20 0 FCADMP COC(=O)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@@H]1C ZINC000469999496 250019090 /nfs/dbraw/zinc/01/90/90/250019090.db2.gz LDBDLYQBUJYXJQ-FPCVCCKLSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@@H]1C ZINC000469999496 250019095 /nfs/dbraw/zinc/01/90/95/250019095.db2.gz LDBDLYQBUJYXJQ-FPCVCCKLSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@@H]1C ZINC000469999496 250019099 /nfs/dbraw/zinc/01/90/99/250019099.db2.gz LDBDLYQBUJYXJQ-FPCVCCKLSA-N 2 1 368.474 0.770 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470887287 250070300 /nfs/dbraw/zinc/07/03/00/250070300.db2.gz CARDWPCANYSVOG-IAGOWNOFSA-N 2 1 365.522 0.701 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000471644238 250111187 /nfs/dbraw/zinc/11/11/87/250111187.db2.gz UMXBSDIFOWSVMY-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCOCC[NH+](C)C)C[C@H](C)O1 ZINC000471644238 250111192 /nfs/dbraw/zinc/11/11/92/250111192.db2.gz UMXBSDIFOWSVMY-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472276020 250143305 /nfs/dbraw/zinc/14/33/05/250143305.db2.gz LYZOQRLSOWBGFY-HOTGVXAUSA-N 2 1 354.495 0.143 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000472286237 250143795 /nfs/dbraw/zinc/14/37/95/250143795.db2.gz ZVJWQJKPVZDMTP-GFCCVEGCSA-N 2 1 368.400 0.807 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000472286237 250143796 /nfs/dbraw/zinc/14/37/96/250143796.db2.gz ZVJWQJKPVZDMTP-GFCCVEGCSA-N 2 1 368.400 0.807 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284602 250142399 /nfs/dbraw/zinc/14/23/99/250142399.db2.gz MCOKFRCBNLIDLG-NVXWUHKLSA-N 2 1 368.522 0.532 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000472982259 250191898 /nfs/dbraw/zinc/19/18/98/250191898.db2.gz BTRSTWZFEHNBDP-DLBZAZTESA-N 2 1 355.527 0.375 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000474026796 250265994 /nfs/dbraw/zinc/26/59/94/250265994.db2.gz ANOISOGURGKOEJ-QGZVFWFLSA-N 2 1 369.554 0.404 20 0 FCADMP CCN(C)C(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000473924773 250257656 /nfs/dbraw/zinc/25/76/56/250257656.db2.gz WGYAPLGSRSWSNU-JKSUJKDBSA-N 2 1 355.527 0.911 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000481162267 250318641 /nfs/dbraw/zinc/31/86/41/250318641.db2.gz CCSWSPWIOMLSNF-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000481162267 250318647 /nfs/dbraw/zinc/31/86/47/250318647.db2.gz CCSWSPWIOMLSNF-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000481162267 250318652 /nfs/dbraw/zinc/31/86/52/250318652.db2.gz CCSWSPWIOMLSNF-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739670 250351922 /nfs/dbraw/zinc/35/19/22/250351922.db2.gz IVIPRSXRBVOZNV-CABCVRRESA-N 2 1 356.536 0.388 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739670 250351926 /nfs/dbraw/zinc/35/19/26/250351926.db2.gz IVIPRSXRBVOZNV-CABCVRRESA-N 2 1 356.536 0.388 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000481769142 250356514 /nfs/dbraw/zinc/35/65/14/250356514.db2.gz JXEAWZZQOFUZIJ-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000481769142 250356517 /nfs/dbraw/zinc/35/65/17/250356517.db2.gz JXEAWZZQOFUZIJ-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833401 250365374 /nfs/dbraw/zinc/36/53/74/250365374.db2.gz YNZZQAUUYKYNHV-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833401 250365376 /nfs/dbraw/zinc/36/53/76/250365376.db2.gz YNZZQAUUYKYNHV-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+](C)C1 ZINC000413171915 532990792 /nfs/dbraw/zinc/99/07/92/532990792.db2.gz NYADBTSSYWGJHP-QGZVFWFLSA-N 2 1 362.474 0.865 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413171915 532990796 /nfs/dbraw/zinc/99/07/96/532990796.db2.gz NYADBTSSYWGJHP-QGZVFWFLSA-N 2 1 362.474 0.865 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413171915 532990800 /nfs/dbraw/zinc/99/08/00/532990800.db2.gz NYADBTSSYWGJHP-QGZVFWFLSA-N 2 1 362.474 0.865 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC[N@@H+](C)C1 ZINC000413456981 532998102 /nfs/dbraw/zinc/99/81/02/532998102.db2.gz KTDCJEXGYVCONY-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000066568133 208020651 /nfs/dbraw/zinc/02/06/51/208020651.db2.gz HHZBJTPUKBQQOH-SFHVURJKSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000069425835 208033153 /nfs/dbraw/zinc/03/31/53/208033153.db2.gz WURARGBXFFZBII-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000075719666 208062661 /nfs/dbraw/zinc/06/26/61/208062661.db2.gz MCHDJHUREOGPAL-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000111660824 208284452 /nfs/dbraw/zinc/28/44/52/208284452.db2.gz AZPGUGDJDZCONP-FQEVSTJZSA-N 2 1 373.545 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000117028839 208338965 /nfs/dbraw/zinc/33/89/65/208338965.db2.gz HOVSMLOOXXGFGI-OWCLPIDISA-N 2 1 356.511 0.846 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000117028839 208338969 /nfs/dbraw/zinc/33/89/69/208338969.db2.gz HOVSMLOOXXGFGI-OWCLPIDISA-N 2 1 356.511 0.846 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118105346 208348566 /nfs/dbraw/zinc/34/85/66/208348566.db2.gz ZRDOYHLVSRAVDR-GOSISDBHSA-N 2 1 373.501 0.583 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118106757 208348663 /nfs/dbraw/zinc/34/86/63/208348663.db2.gz XBJPJSKKBFPINP-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118106757 208348665 /nfs/dbraw/zinc/34/86/65/208348665.db2.gz XBJPJSKKBFPINP-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178671202 209055820 /nfs/dbraw/zinc/05/58/20/209055820.db2.gz MHKFQZDIZMLLNA-LBPRGKRZSA-N 2 1 358.284 0.788 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186477891 229236193 /nfs/dbraw/zinc/23/61/93/229236193.db2.gz WUPOGYKQJQENPU-MNEFBYGVSA-N 2 1 361.486 0.583 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410441120 230081618 /nfs/dbraw/zinc/08/16/18/230081618.db2.gz XZYIXYOZFAHOFP-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410938722 230316699 /nfs/dbraw/zinc/31/66/99/230316699.db2.gz PFCILJFAAMNKKB-HNNXBMFYSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410938722 230316706 /nfs/dbraw/zinc/31/67/06/230316706.db2.gz PFCILJFAAMNKKB-HNNXBMFYSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000287539074 488879353 /nfs/dbraw/zinc/87/93/53/488879353.db2.gz JCJGQILKVJRBPV-INIZCTEOSA-N 2 1 361.490 0.754 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000363792700 488886094 /nfs/dbraw/zinc/88/60/94/488886094.db2.gz GEDSXWWQADOZJE-QGZVFWFLSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699590 488895493 /nfs/dbraw/zinc/89/54/93/488895493.db2.gz UHMUAWXRBXBXSQ-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699588 488895178 /nfs/dbraw/zinc/89/51/78/488895178.db2.gz UHMUAWXRBXBXSQ-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278968272 488907754 /nfs/dbraw/zinc/90/77/54/488907754.db2.gz IQYDEIFLMKVBEI-CJNGLKHVSA-N 2 1 362.478 0.159 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCCCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000364212705 488937039 /nfs/dbraw/zinc/93/70/39/488937039.db2.gz KIXBSFFKQGRQKR-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000288122348 488946763 /nfs/dbraw/zinc/94/67/63/488946763.db2.gz JHSHKKFEVXQKEP-KRWDZBQOSA-N 2 1 364.465 0.926 20 0 FCADMP O=C1OCC[C@]12CCC[N@@H+]2CCOCCN1CCC[C@@]12CCOC2=O ZINC000364446281 488961193 /nfs/dbraw/zinc/96/11/93/488961193.db2.gz STJMQWKGGZRHSL-HDICACEKSA-N 2 1 352.431 0.566 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000288216847 488957330 /nfs/dbraw/zinc/95/73/30/488957330.db2.gz QQIKNRWJWQOZDF-CQSZACIVSA-N 2 1 351.451 0.200 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000046227178 487972763 /nfs/dbraw/zinc/97/27/63/487972763.db2.gz GQWZNXWZMXJMNG-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000562815627 491191676 /nfs/dbraw/zinc/19/16/76/491191676.db2.gz DNRAHZXJOIZLOO-KGLIPLIRSA-N 2 1 365.444 0.804 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000562816080 491191982 /nfs/dbraw/zinc/19/19/82/491191982.db2.gz TXLHAYOBNPQLKE-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569795785 491192908 /nfs/dbraw/zinc/19/29/08/491192908.db2.gz OEGJOBOLIIDSTQ-HLLBOEOZSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569795785 491192909 /nfs/dbraw/zinc/19/29/09/491192909.db2.gz OEGJOBOLIIDSTQ-HLLBOEOZSA-N 2 1 362.474 0.103 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC000069440801 488372616 /nfs/dbraw/zinc/37/26/16/488372616.db2.gz NRZNHZISSGFBCP-QGZVFWFLSA-N 2 1 367.538 0.959 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936757 488374768 /nfs/dbraw/zinc/37/47/68/488374768.db2.gz OHKWOXXTIUBXAB-KURKYZTESA-N 2 1 366.506 0.603 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)C1 ZINC000073389406 488384456 /nfs/dbraw/zinc/38/44/56/488384456.db2.gz WFNAEVCEAHYDFU-FQEVSTJZSA-N 2 1 374.529 0.983 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)C1 ZINC000073389406 488384457 /nfs/dbraw/zinc/38/44/57/488384457.db2.gz WFNAEVCEAHYDFU-FQEVSTJZSA-N 2 1 374.529 0.983 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000073389406 488384458 /nfs/dbraw/zinc/38/44/58/488384458.db2.gz WFNAEVCEAHYDFU-FQEVSTJZSA-N 2 1 374.529 0.983 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000073389406 488384459 /nfs/dbraw/zinc/38/44/59/488384459.db2.gz WFNAEVCEAHYDFU-FQEVSTJZSA-N 2 1 374.529 0.983 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601981 488385297 /nfs/dbraw/zinc/38/52/97/488385297.db2.gz KLDLYMDLFDBAHY-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000074345467 488390659 /nfs/dbraw/zinc/39/06/59/488390659.db2.gz OTTLYWDYAWEQPO-INIZCTEOSA-N 2 1 365.522 0.844 20 0 FCADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000074345134 488391213 /nfs/dbraw/zinc/39/12/13/488391213.db2.gz DOAHFWKEMNJJMH-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000074372307 488391779 /nfs/dbraw/zinc/39/17/79/488391779.db2.gz PYAQXNHMGKKDSE-DLBZAZTESA-N 2 1 356.511 0.707 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000074734262 488393782 /nfs/dbraw/zinc/39/37/82/488393782.db2.gz IQRJHRQKVHTZIA-GOSISDBHSA-N 2 1 356.511 0.491 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000184849698 488398243 /nfs/dbraw/zinc/39/82/43/488398243.db2.gz RCFADJMFERBREH-OAHLLOKOSA-N 2 1 353.511 0.761 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185606715 488401988 /nfs/dbraw/zinc/40/19/88/488401988.db2.gz YQXDTKUQWCUCIJ-KRWDZBQOSA-N 2 1 368.570 0.338 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185732744 488402399 /nfs/dbraw/zinc/40/23/99/488402399.db2.gz NHHCIPGTVBRCQI-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000187014881 488408287 /nfs/dbraw/zinc/40/82/87/488408287.db2.gz WZBHPTNNXQMJSJ-SJLPKXTDSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000187014881 488408288 /nfs/dbraw/zinc/40/82/88/488408288.db2.gz WZBHPTNNXQMJSJ-SJLPKXTDSA-N 2 1 368.522 0.404 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189442571 488414960 /nfs/dbraw/zinc/41/49/60/488414960.db2.gz IQRATVZADRJUIO-DOMZBBRYSA-N 2 1 369.535 0.965 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000189442571 488414962 /nfs/dbraw/zinc/41/49/62/488414962.db2.gz IQRATVZADRJUIO-DOMZBBRYSA-N 2 1 369.535 0.965 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CCN1CCOC[C@@H]1C ZINC000192806217 488424847 /nfs/dbraw/zinc/42/48/47/488424847.db2.gz IIDLZBKHXVUURV-YRPNKDGESA-N 2 1 368.566 0.822 20 0 FCADMP C[C@@H]1CN(CCN2CCOC[C@@H]2C)C[C@H](C)[N@@H+]1CCN1CCOC[C@@H]1C ZINC000192806217 488424849 /nfs/dbraw/zinc/42/48/49/488424849.db2.gz IIDLZBKHXVUURV-YRPNKDGESA-N 2 1 368.566 0.822 20 0 FCADMP C[C@@H]1CN(CCN2CCOC[C@@H]2C)C[C@H](C)[N@H+]1CCN1CCOC[C@@H]1C ZINC000192806217 488424850 /nfs/dbraw/zinc/42/48/50/488424850.db2.gz IIDLZBKHXVUURV-YRPNKDGESA-N 2 1 368.566 0.822 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1C ZINC000083737679 488449438 /nfs/dbraw/zinc/44/94/38/488449438.db2.gz UNBCBXAGPPJAGS-HNNXBMFYSA-N 2 1 352.483 0.738 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000237170067 488454433 /nfs/dbraw/zinc/45/44/33/488454433.db2.gz QSZMSDOEECLSHT-INIZCTEOSA-N 2 1 354.458 0.934 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CC1 ZINC000237191370 488454794 /nfs/dbraw/zinc/45/47/94/488454794.db2.gz XTLQKSBVUTXTDY-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)CC1 ZINC000237191083 488455049 /nfs/dbraw/zinc/45/50/49/488455049.db2.gz YLEDMFALUQURKJ-UHFFFAOYSA-N 2 1 350.507 0.908 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CN3CCNCC3=O)cc2)C[C@H](C)O1 ZINC000237630461 488455987 /nfs/dbraw/zinc/45/59/87/488455987.db2.gz FSNHOKPYWKIKRF-IYBDPMFKSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@@H]1CN(Cc2ccc(CNC(=O)CN3CCNCC3=O)cc2)C[C@H](C)O1 ZINC000237630461 488455989 /nfs/dbraw/zinc/45/59/89/488455989.db2.gz FSNHOKPYWKIKRF-IYBDPMFKSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000245468307 488464117 /nfs/dbraw/zinc/46/41/17/488464117.db2.gz SZSWBTGVHCVUQY-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000091598509 488465854 /nfs/dbraw/zinc/46/58/54/488465854.db2.gz MNORVUMYNDXVFI-AWEZNQCLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000091598509 488465856 /nfs/dbraw/zinc/46/58/56/488465856.db2.gz MNORVUMYNDXVFI-AWEZNQCLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000246023322 488468820 /nfs/dbraw/zinc/46/88/20/488468820.db2.gz LRGURPWLHDSERT-RBSFLKMASA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000246023322 488468822 /nfs/dbraw/zinc/46/88/22/488468822.db2.gz LRGURPWLHDSERT-RBSFLKMASA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000246023322 488468823 /nfs/dbraw/zinc/46/88/23/488468823.db2.gz LRGURPWLHDSERT-RBSFLKMASA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000246023322 488468825 /nfs/dbraw/zinc/46/88/25/488468825.db2.gz LRGURPWLHDSERT-RBSFLKMASA-N 2 1 352.479 0.890 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000246931932 488478528 /nfs/dbraw/zinc/47/85/28/488478528.db2.gz HBWPPZPHTRMYAG-FGTMMUONSA-N 2 1 368.522 0.849 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cn2)CC1 ZINC000093817799 488480061 /nfs/dbraw/zinc/48/00/61/488480061.db2.gz ZDBFSDKEIIJFLW-KRWDZBQOSA-N 2 1 360.506 0.383 20 0 FCADMP CNC(=O)[C@@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@H]1C(=O)NC ZINC000247184648 488482939 /nfs/dbraw/zinc/48/29/39/488482939.db2.gz WCYUZMPSQGUJNO-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CNC(=O)[C@@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000247184648 488482941 /nfs/dbraw/zinc/48/29/41/488482941.db2.gz WCYUZMPSQGUJNO-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1COCC[NH2+]1 ZINC000269268318 488484580 /nfs/dbraw/zinc/48/45/80/488484580.db2.gz QROKAIOLSJKREB-QGZVFWFLSA-N 2 1 351.422 0.774 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247558318 488487944 /nfs/dbraw/zinc/48/79/44/488487944.db2.gz ZWIYIKSYTKOWGY-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248464690 488497156 /nfs/dbraw/zinc/49/71/56/488497156.db2.gz ZQGSLPYNDVMONX-MJGOQNOKSA-N 2 1 364.490 0.365 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047777 488497360 /nfs/dbraw/zinc/49/73/60/488497360.db2.gz KAQMWNAKTJDUFE-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047777 488497364 /nfs/dbraw/zinc/49/73/64/488497364.db2.gz KAQMWNAKTJDUFE-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047777 488497365 /nfs/dbraw/zinc/49/73/65/488497365.db2.gz KAQMWNAKTJDUFE-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000103121220 488499661 /nfs/dbraw/zinc/49/96/61/488499661.db2.gz AHJXQEUTBITWMI-UHFFFAOYSA-N 2 1 358.486 0.885 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000103121220 488499663 /nfs/dbraw/zinc/49/96/63/488499663.db2.gz AHJXQEUTBITWMI-UHFFFAOYSA-N 2 1 358.486 0.885 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000248636918 488499761 /nfs/dbraw/zinc/49/97/61/488499761.db2.gz QMXGSHDXTWMARW-IKGGRYGDSA-N 2 1 368.522 0.584 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103305350 488500731 /nfs/dbraw/zinc/50/07/31/488500731.db2.gz QBELHFUBLAUCDK-QGZVFWFLSA-N 2 1 365.522 0.668 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[C@H]1CO ZINC000248975297 488504915 /nfs/dbraw/zinc/50/49/15/488504915.db2.gz UGKHGHNOPPBGOV-LPHOPBHVSA-N 2 1 373.497 0.968 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000104949899 488506692 /nfs/dbraw/zinc/50/66/92/488506692.db2.gz STBRJWBKTFFPAD-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223165 488508447 /nfs/dbraw/zinc/50/84/47/488508447.db2.gz PSZISRSAHOLJKO-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223165 488508449 /nfs/dbraw/zinc/50/84/49/488508449.db2.gz PSZISRSAHOLJKO-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223165 488508451 /nfs/dbraw/zinc/50/84/51/488508451.db2.gz PSZISRSAHOLJKO-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000105233573 488508576 /nfs/dbraw/zinc/50/85/76/488508576.db2.gz PKMAPBWMFYUORC-QZTJIDSGSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249516323 488511114 /nfs/dbraw/zinc/51/11/14/488511114.db2.gz FGAGTMGJXYGWNJ-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000249516323 488511116 /nfs/dbraw/zinc/51/11/16/488511116.db2.gz FGAGTMGJXYGWNJ-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP CCn1cc(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000270363277 488515785 /nfs/dbraw/zinc/51/57/85/488515785.db2.gz SDZQUEVUQKGXKQ-UHFFFAOYSA-N 2 1 370.457 0.809 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261730970 488533398 /nfs/dbraw/zinc/53/33/98/488533398.db2.gz JVXDJDJZHLHIKC-INMHGKMJSA-N 2 1 360.458 0.829 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757810 488534705 /nfs/dbraw/zinc/53/47/05/488534705.db2.gz JLLXFRLCABSKDO-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892226 488540708 /nfs/dbraw/zinc/54/07/08/488540708.db2.gz CGPIAXZPKWDKGB-QZTJIDSGSA-N 2 1 364.534 0.630 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000114602551 488541573 /nfs/dbraw/zinc/54/15/73/488541573.db2.gz CTHMHNIHKCGPFK-SFHVURJKSA-N 2 1 367.538 0.256 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000261921385 488542349 /nfs/dbraw/zinc/54/23/49/488542349.db2.gz XPHVTHLGGTUICJ-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2)CC1 ZINC000261982633 488544377 /nfs/dbraw/zinc/54/43/77/488544377.db2.gz CUULABJUSMRKPO-PMACEKPBSA-N 2 1 371.529 0.481 20 0 FCADMP Cc1ccccc1CC(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262254433 488559830 /nfs/dbraw/zinc/55/98/30/488559830.db2.gz XBJDWNSQMGDGAT-UHFFFAOYSA-N 2 1 358.486 0.504 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120902710 488564031 /nfs/dbraw/zinc/56/40/31/488564031.db2.gz XTWWDKPJUCWJEL-ROUUACIJSA-N 2 1 351.539 0.251 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262453069 488570762 /nfs/dbraw/zinc/57/07/62/488570762.db2.gz WFCRQYZAFPLTFH-HOTGVXAUSA-N 2 1 360.458 0.701 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000122993866 488582043 /nfs/dbraw/zinc/58/20/43/488582043.db2.gz HMIGTOQIRVTDHN-UHFFFAOYSA-N 2 1 372.469 0.767 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000122993866 488582044 /nfs/dbraw/zinc/58/20/44/488582044.db2.gz HMIGTOQIRVTDHN-UHFFFAOYSA-N 2 1 372.469 0.767 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000262636348 488583853 /nfs/dbraw/zinc/58/38/53/488583853.db2.gz HTPCOUFUPBLZBF-AWEZNQCLSA-N 2 1 366.487 0.561 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000262636348 488583855 /nfs/dbraw/zinc/58/38/55/488583855.db2.gz HTPCOUFUPBLZBF-AWEZNQCLSA-N 2 1 366.487 0.561 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)C1 ZINC000262661699 488585068 /nfs/dbraw/zinc/58/50/68/488585068.db2.gz LVQSBNLALXRLBZ-JKSUJKDBSA-N 2 1 362.499 0.663 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)C1 ZINC000262661699 488585070 /nfs/dbraw/zinc/58/50/70/488585070.db2.gz LVQSBNLALXRLBZ-JKSUJKDBSA-N 2 1 362.499 0.663 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000262661697 488585093 /nfs/dbraw/zinc/58/50/93/488585093.db2.gz LVQSBNLALXRLBZ-HOTGVXAUSA-N 2 1 362.499 0.663 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000262661697 488585095 /nfs/dbraw/zinc/58/50/95/488585095.db2.gz LVQSBNLALXRLBZ-HOTGVXAUSA-N 2 1 362.499 0.663 20 0 FCADMP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000264023807 488643421 /nfs/dbraw/zinc/64/34/21/488643421.db2.gz PPUDMYALOBSMTF-SFHVURJKSA-N 2 1 373.501 0.920 20 0 FCADMP CC1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000136826676 488679364 /nfs/dbraw/zinc/67/93/64/488679364.db2.gz JBYZPTZFIWBXAT-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000137063296 488679848 /nfs/dbraw/zinc/67/98/48/488679848.db2.gz XCWFICMWSQODGK-MRXNPFEDSA-N 2 1 363.506 0.635 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(CN2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000138751696 488682662 /nfs/dbraw/zinc/68/26/62/488682662.db2.gz RWZCYWYQJORXNY-OBMJPTGESA-N 2 1 364.486 0.850 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000138884156 488683490 /nfs/dbraw/zinc/68/34/90/488683490.db2.gz YMQUMYPYZOWDJK-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)Cc1ccccc1 ZINC000264666134 488696262 /nfs/dbraw/zinc/69/62/62/488696262.db2.gz ZOXUNYFXJBGKOF-QGZVFWFLSA-N 2 1 361.490 0.757 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)Cc1ccccc1 ZINC000264666134 488696266 /nfs/dbraw/zinc/69/62/66/488696266.db2.gz ZOXUNYFXJBGKOF-QGZVFWFLSA-N 2 1 361.490 0.757 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)Cc1ccccc1 ZINC000264666134 488696268 /nfs/dbraw/zinc/69/62/68/488696268.db2.gz ZOXUNYFXJBGKOF-QGZVFWFLSA-N 2 1 361.490 0.757 20 0 FCADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)c1 ZINC000274406171 488705459 /nfs/dbraw/zinc/70/54/59/488705459.db2.gz FUIWFJROKICNNV-UHFFFAOYSA-N 2 1 364.490 0.897 20 0 FCADMP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000156026078 488761181 /nfs/dbraw/zinc/76/11/81/488761181.db2.gz SDQLEVJFBXMHCY-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CCSC1 ZINC000157863120 488774291 /nfs/dbraw/zinc/77/42/91/488774291.db2.gz DLKUFGJPNGSCDK-HUUCEWRRSA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCSC1 ZINC000157863120 488774292 /nfs/dbraw/zinc/77/42/92/488774292.db2.gz DLKUFGJPNGSCDK-HUUCEWRRSA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1CCSC1 ZINC000157863120 488774294 /nfs/dbraw/zinc/77/42/94/488774294.db2.gz DLKUFGJPNGSCDK-HUUCEWRRSA-N 2 1 354.520 0.189 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000563153839 491222775 /nfs/dbraw/zinc/22/27/75/491222775.db2.gz HTECUNKNJOEKAL-KUHUBIRLSA-N 2 1 358.442 0.800 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@@H+]1CCOC ZINC000168054066 488812347 /nfs/dbraw/zinc/81/23/47/488812347.db2.gz UFOMXKFGKNBVII-HNNXBMFYSA-N 2 1 364.494 0.694 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@H+]1CCOC ZINC000168054066 488812349 /nfs/dbraw/zinc/81/23/49/488812349.db2.gz UFOMXKFGKNBVII-HNNXBMFYSA-N 2 1 364.494 0.694 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000171619878 488824643 /nfs/dbraw/zinc/82/46/43/488824643.db2.gz LRMTUULBJBGXCO-KRWDZBQOSA-N 2 1 365.522 0.810 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000174600373 488850112 /nfs/dbraw/zinc/85/01/12/488850112.db2.gz CCRYREBHWYOMOK-LJQANCHMSA-N 2 1 360.502 0.954 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000174600373 488850113 /nfs/dbraw/zinc/85/01/13/488850113.db2.gz CCRYREBHWYOMOK-LJQANCHMSA-N 2 1 360.502 0.954 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000174778689 488851235 /nfs/dbraw/zinc/85/12/35/488851235.db2.gz MIHFGIPVSKVMHX-QFBILLFUSA-N 2 1 372.513 0.960 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000177334278 488859425 /nfs/dbraw/zinc/85/94/25/488859425.db2.gz RBGOYRHGSWVSTQ-MRXNPFEDSA-N 2 1 353.511 0.428 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000177334278 488859426 /nfs/dbraw/zinc/85/94/26/488859426.db2.gz RBGOYRHGSWVSTQ-MRXNPFEDSA-N 2 1 353.511 0.428 20 0 FCADMP CC(=O)N1CCC[NH+](CCOCC[N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000178592522 488860530 /nfs/dbraw/zinc/86/05/30/488860530.db2.gz GDZPSKVDFRSXTG-UHFFFAOYSA-N 2 1 354.495 0.111 20 0 FCADMP O=C(CSCC(=O)NCC[N@@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000280335439 488999539 /nfs/dbraw/zinc/99/95/39/488999539.db2.gz VRNFMKFSROGHAO-UHFFFAOYSA-N 2 1 366.531 0.476 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3COc4ccccc4[C@@H]3O)cn2)CC1 ZINC000288666797 489002631 /nfs/dbraw/zinc/00/26/31/489002631.db2.gz WDHHQMNNDUHPPY-AEFFLSMTSA-N 2 1 355.442 0.813 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@H+]1C1CC1 ZINC000570245349 491227858 /nfs/dbraw/zinc/22/78/58/491227858.db2.gz VWXGZWKQLWQQHS-LSDHHAIUSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245349 491227860 /nfs/dbraw/zinc/22/78/60/491227860.db2.gz VWXGZWKQLWQQHS-LSDHHAIUSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245349 491227863 /nfs/dbraw/zinc/22/78/63/491227863.db2.gz VWXGZWKQLWQQHS-LSDHHAIUSA-N 2 1 366.506 0.033 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288754610 489012584 /nfs/dbraw/zinc/01/25/84/489012584.db2.gz YKMLEXGBLCSUOX-UHFFFAOYSA-N 2 1 367.494 0.790 20 0 FCADMP C[C@@H](CO)[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916733 489016930 /nfs/dbraw/zinc/01/69/30/489016930.db2.gz OLACQGPJBJNYNY-PKOBYXMFSA-N 2 1 362.518 0.794 20 0 FCADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000563215755 491228479 /nfs/dbraw/zinc/22/84/79/491228479.db2.gz SEDLESANKDXTDD-GOSISDBHSA-N 2 1 372.517 0.100 20 0 FCADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000329965263 489055088 /nfs/dbraw/zinc/05/50/88/489055088.db2.gz QZHPLFGIENIPOY-GOSISDBHSA-N 2 1 356.470 0.411 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000289379761 489062830 /nfs/dbraw/zinc/06/28/30/489062830.db2.gz NMQDECKPVAXAFF-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1Cl ZINC000281315870 489066447 /nfs/dbraw/zinc/06/64/47/489066447.db2.gz ALVSEZAUHVEIIA-QGZVFWFLSA-N 2 1 370.881 0.769 20 0 FCADMP C[C@@H]1C[NH+](CC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)C[C@@H](C)O1 ZINC000330211536 489080499 /nfs/dbraw/zinc/08/04/99/489080499.db2.gz DCMZHPALBHVQEF-HZPDHXFCSA-N 2 1 374.547 0.747 20 0 FCADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000365619895 489093640 /nfs/dbraw/zinc/09/36/40/489093640.db2.gz CEABTGJDEYXWCM-CYBMUJFWSA-N 2 1 371.445 0.047 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365690110 489100654 /nfs/dbraw/zinc/10/06/54/489100654.db2.gz DBUICCSMHQIPCC-OGHNNQOOSA-N 2 1 350.467 0.305 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000290033472 489109459 /nfs/dbraw/zinc/10/94/59/489109459.db2.gz UGCRQTIEWPRFMO-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000290033472 489109463 /nfs/dbraw/zinc/10/94/63/489109463.db2.gz UGCRQTIEWPRFMO-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290033478 489109613 /nfs/dbraw/zinc/10/96/13/489109613.db2.gz UGCRQTIEWPRFMO-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290033478 489109614 /nfs/dbraw/zinc/10/96/14/489109614.db2.gz UGCRQTIEWPRFMO-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365942091 489128335 /nfs/dbraw/zinc/12/83/35/489128335.db2.gz RXJSCINAIJRZAO-AWEZNQCLSA-N 2 1 364.494 0.935 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172646 489154848 /nfs/dbraw/zinc/15/48/48/489154848.db2.gz SIUXFHBEJZIWPY-PKOBYXMFSA-N 2 1 351.539 0.997 20 0 FCADMP COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366421763 489179684 /nfs/dbraw/zinc/17/96/84/489179684.db2.gz QTIIZLWMHXIYGI-AEFFLSMTSA-N 2 1 367.490 0.441 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331386325 489204845 /nfs/dbraw/zinc/20/48/45/489204845.db2.gz IAFQLQAPBZAQHA-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690134 489224877 /nfs/dbraw/zinc/22/48/77/489224877.db2.gz FERKQZXRVYQHEN-RHSMWYFYSA-N 2 1 357.458 0.701 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283231462 489230856 /nfs/dbraw/zinc/23/08/56/489230856.db2.gz AIGUJDQGVOHURB-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000297921707 489262226 /nfs/dbraw/zinc/26/22/26/489262226.db2.gz XVZBTAHRLSVQRU-IRXDYDNUSA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000297921707 489262230 /nfs/dbraw/zinc/26/22/30/489262230.db2.gz XVZBTAHRLSVQRU-IRXDYDNUSA-N 2 1 361.490 0.983 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333989037 489264881 /nfs/dbraw/zinc/26/48/81/489264881.db2.gz IPPYRMYHVBTRDB-NXHRZFHOSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333989037 489264884 /nfs/dbraw/zinc/26/48/84/489264884.db2.gz IPPYRMYHVBTRDB-NXHRZFHOSA-N 2 1 368.522 0.462 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283620647 489282049 /nfs/dbraw/zinc/28/20/49/489282049.db2.gz XMRZZYAZJPOJPW-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283620647 489282051 /nfs/dbraw/zinc/28/20/51/489282051.db2.gz XMRZZYAZJPOJPW-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283620647 489282054 /nfs/dbraw/zinc/28/20/54/489282054.db2.gz XMRZZYAZJPOJPW-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000570516328 491246445 /nfs/dbraw/zinc/24/64/45/491246445.db2.gz XIJDUBQGVYKMFD-INIZCTEOSA-N 2 1 368.503 0.052 20 0 FCADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000570516328 491246447 /nfs/dbraw/zinc/24/64/47/491246447.db2.gz XIJDUBQGVYKMFD-INIZCTEOSA-N 2 1 368.503 0.052 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263617 489308158 /nfs/dbraw/zinc/30/81/58/489308158.db2.gz KXYNRCMSSFWXFY-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263617 489308160 /nfs/dbraw/zinc/30/81/60/489308160.db2.gz KXYNRCMSSFWXFY-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263617 489308162 /nfs/dbraw/zinc/30/81/62/489308162.db2.gz KXYNRCMSSFWXFY-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452345 491248639 /nfs/dbraw/zinc/24/86/39/491248639.db2.gz WGHZEIVDZSXFTN-IXDOHACOSA-N 2 1 363.506 0.737 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000370468563 489363591 /nfs/dbraw/zinc/36/35/91/489363591.db2.gz JKVCGOUDNSCULL-PASDCYSWSA-N 2 1 353.507 0.992 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236331 489371916 /nfs/dbraw/zinc/37/19/16/489371916.db2.gz UNWSJFBDSDQLLH-MOPGFXCFSA-N 2 1 360.502 0.860 20 0 FCADMP Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000370540880 489372474 /nfs/dbraw/zinc/37/24/74/489372474.db2.gz YJFIOXYXGMROBN-KRWDZBQOSA-N 2 1 353.474 0.974 20 0 FCADMP Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000370540881 489372521 /nfs/dbraw/zinc/37/25/21/489372521.db2.gz YJFIOXYXGMROBN-QGZVFWFLSA-N 2 1 353.474 0.974 20 0 FCADMP O=C1OC[C@@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000370546231 489373081 /nfs/dbraw/zinc/37/30/81/489373081.db2.gz KVEPULWBQVHEBL-HOTGVXAUSA-N 2 1 366.462 0.820 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000299010563 489394410 /nfs/dbraw/zinc/39/44/10/489394410.db2.gz AREYGBYNEIQRCK-UHFFFAOYSA-N 2 1 371.489 0.689 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858863 489401838 /nfs/dbraw/zinc/40/18/38/489401838.db2.gz GTUPVWQLGPLJCE-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363069805 489418806 /nfs/dbraw/zinc/41/88/06/489418806.db2.gz ARHIRQDXKZVQEZ-UHFFFAOYSA-N 2 1 356.511 0.709 20 0 FCADMP COc1ccc(CN2CCCN(C(=O)CN(CCO)CCO)CC2)cc1 ZINC000370901820 489425435 /nfs/dbraw/zinc/42/54/35/489425435.db2.gz BWABQCSQVJLREB-UHFFFAOYSA-N 2 1 365.474 0.016 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)n1C ZINC000286772188 489427371 /nfs/dbraw/zinc/42/73/71/489427371.db2.gz HUHMXUGSOIOEDK-UHFFFAOYSA-N 2 1 350.467 0.045 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021150 489439074 /nfs/dbraw/zinc/43/90/74/489439074.db2.gz XQHUVNWAPVDDRL-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021150 489439078 /nfs/dbraw/zinc/43/90/78/489439078.db2.gz XQHUVNWAPVDDRL-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021150 489439081 /nfs/dbraw/zinc/43/90/81/489439081.db2.gz XQHUVNWAPVDDRL-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000371025340 489439650 /nfs/dbraw/zinc/43/96/50/489439650.db2.gz AKRJFKDBSDZKHE-SFHVURJKSA-N 2 1 365.522 0.130 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1C ZINC000287164229 489466546 /nfs/dbraw/zinc/46/65/46/489466546.db2.gz ZCHQYTRFASWRHK-DZGCQCFKSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1C ZINC000287164229 489466547 /nfs/dbraw/zinc/46/65/47/489466547.db2.gz ZCHQYTRFASWRHK-DZGCQCFKSA-N 2 1 362.478 0.045 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363459729 489469009 /nfs/dbraw/zinc/46/90/09/489469009.db2.gz QSADIRAGRBMVQY-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363459729 489469011 /nfs/dbraw/zinc/46/90/11/489469011.db2.gz QSADIRAGRBMVQY-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271463 489472289 /nfs/dbraw/zinc/47/22/89/489472289.db2.gz RATUODGLXANQPZ-QFBILLFUSA-N 2 1 362.449 0.702 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000363499613 489472336 /nfs/dbraw/zinc/47/23/36/489472336.db2.gz OQIDSIGPCDYKOL-OAHLLOKOSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000363499613 489472339 /nfs/dbraw/zinc/47/23/39/489472339.db2.gz OQIDSIGPCDYKOL-OAHLLOKOSA-N 2 1 351.495 0.467 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(=O)NC(N)=O)CC2)CC1 ZINC000363504701 489473226 /nfs/dbraw/zinc/47/32/26/489473226.db2.gz MMHOXUVJRFQXBR-UHFFFAOYSA-N 2 1 367.494 0.228 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1CCOC ZINC000371354560 489480024 /nfs/dbraw/zinc/48/00/24/489480024.db2.gz USLWBLZCUAPUIR-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1CCOC ZINC000371354560 489480025 /nfs/dbraw/zinc/48/00/25/489480025.db2.gz USLWBLZCUAPUIR-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1CCOC ZINC000371354560 489480026 /nfs/dbraw/zinc/48/00/26/489480026.db2.gz USLWBLZCUAPUIR-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000563594948 491256872 /nfs/dbraw/zinc/25/68/72/491256872.db2.gz DDCDUGUQMUEFAT-KRWDZBQOSA-N 2 1 373.501 0.582 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423091043 489492500 /nfs/dbraw/zinc/49/25/00/489492500.db2.gz ZAXCDHOCBKXFHS-INIZCTEOSA-N 2 1 354.495 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423145852 489496574 /nfs/dbraw/zinc/49/65/74/489496574.db2.gz MVUQYNIWMISALV-BPQIPLTHSA-N 2 1 358.486 0.915 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423149118 489496943 /nfs/dbraw/zinc/49/69/43/489496943.db2.gz XCRWLCBAGUCDBK-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423145947 489496994 /nfs/dbraw/zinc/49/69/94/489496994.db2.gz NEZTYZHAPQEJPK-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000423158634 489498324 /nfs/dbraw/zinc/49/83/24/489498324.db2.gz OJVAFMWQFAXCAB-INIZCTEOSA-N 2 1 359.474 0.497 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423171161 489499453 /nfs/dbraw/zinc/49/94/53/489499453.db2.gz ZNVIWNFFYCIDDJ-FUHWJXTLSA-N 2 1 373.501 0.715 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000423174836 489499472 /nfs/dbraw/zinc/49/94/72/489499472.db2.gz CEUAVHUKHQETEM-HRCADAONSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000423192433 489501176 /nfs/dbraw/zinc/50/11/76/489501176.db2.gz VGZDZGZOUPGKBY-XHSDSOJGSA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000423192433 489501177 /nfs/dbraw/zinc/50/11/77/489501177.db2.gz VGZDZGZOUPGKBY-XHSDSOJGSA-N 2 1 368.522 0.530 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423234474 489506383 /nfs/dbraw/zinc/50/63/83/489506383.db2.gz PNDDBYBEXOTKQL-UHFFFAOYSA-N 2 1 360.502 0.831 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423240645 489506593 /nfs/dbraw/zinc/50/65/93/489506593.db2.gz KUDVOCWURVOCOF-NXHRZFHOSA-N 2 1 358.486 0.740 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000555615971 491259648 /nfs/dbraw/zinc/25/96/48/491259648.db2.gz VQSMWVNFYPLVIY-MRXNPFEDSA-N 2 1 354.495 0.206 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1CC ZINC000423276486 489510810 /nfs/dbraw/zinc/51/08/10/489510810.db2.gz MYDYYIRKXBXEKO-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1CC ZINC000423276486 489510811 /nfs/dbraw/zinc/51/08/11/489510811.db2.gz MYDYYIRKXBXEKO-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1CC ZINC000423276484 489510827 /nfs/dbraw/zinc/51/08/27/489510827.db2.gz MYDYYIRKXBXEKO-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1CC ZINC000423276484 489510828 /nfs/dbraw/zinc/51/08/28/489510828.db2.gz MYDYYIRKXBXEKO-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616750 491260009 /nfs/dbraw/zinc/26/00/09/491260009.db2.gz ZVJIAVBIUGZDKS-QGZVFWFLSA-N 2 1 368.522 0.453 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616750 491260011 /nfs/dbraw/zinc/26/00/11/491260011.db2.gz ZVJIAVBIUGZDKS-QGZVFWFLSA-N 2 1 368.522 0.453 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000563638014 491260017 /nfs/dbraw/zinc/26/00/17/491260017.db2.gz QXIFQVICXHBJTF-WCXIOVBPSA-N 2 1 357.458 0.385 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415378530 489516288 /nfs/dbraw/zinc/51/62/88/489516288.db2.gz PUDNRXCGVYWVDD-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000415413627 489518070 /nfs/dbraw/zinc/51/80/70/489518070.db2.gz IUUCRYZHIGUYFX-HUUCEWRRSA-N 2 1 362.474 0.990 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000415413625 489518559 /nfs/dbraw/zinc/51/85/59/489518559.db2.gz IUUCRYZHIGUYFX-CABCVRRESA-N 2 1 362.474 0.990 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949407 489527547 /nfs/dbraw/zinc/52/75/47/489527547.db2.gz VHDJDTCOOLPUBQ-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000425858791 489534651 /nfs/dbraw/zinc/53/46/51/489534651.db2.gz DADJNBFRUAYWCO-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000425874550 489537508 /nfs/dbraw/zinc/53/75/08/489537508.db2.gz ROEKVZFFUQYYFK-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000425874550 489537509 /nfs/dbraw/zinc/53/75/09/489537509.db2.gz ROEKVZFFUQYYFK-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415795927 489553674 /nfs/dbraw/zinc/55/36/74/489553674.db2.gz YUFKXXLJWXFUDB-BZOOQXSSSA-N 2 1 360.458 0.966 20 0 FCADMP Cc1cccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312360 489569827 /nfs/dbraw/zinc/56/98/27/489569827.db2.gz WFIXUFFERHHICF-PMACEKPBSA-N 2 1 372.513 0.874 20 0 FCADMP O=C(CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH2+]CC1 ZINC000563693434 491263528 /nfs/dbraw/zinc/26/35/28/491263528.db2.gz ZXINUCJQQPXTML-MRXNPFEDSA-N 2 1 351.495 0.515 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000416145421 489571488 /nfs/dbraw/zinc/57/14/88/489571488.db2.gz LNXNLMWYTCXGKT-LBPRGKRZSA-N 2 1 367.450 0.385 20 0 FCADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787350 491264146 /nfs/dbraw/zinc/26/41/46/491264146.db2.gz FTMYMJUIMQSKFY-DLBZAZTESA-N 2 1 358.490 0.589 20 0 FCADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787350 491264149 /nfs/dbraw/zinc/26/41/49/491264149.db2.gz FTMYMJUIMQSKFY-DLBZAZTESA-N 2 1 358.490 0.589 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128034 489595735 /nfs/dbraw/zinc/59/57/35/489595735.db2.gz JFEYXALUJKYFTF-HOTGVXAUSA-N 2 1 374.489 0.831 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000555681053 491265517 /nfs/dbraw/zinc/26/55/17/491265517.db2.gz CQXOBRVMCAFISZ-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000427298215 489601248 /nfs/dbraw/zinc/60/12/48/489601248.db2.gz AJHZICJXQCPMAK-DZGCQCFKSA-N 2 1 362.478 0.687 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000427322545 489602627 /nfs/dbraw/zinc/60/26/27/489602627.db2.gz UCPXWRPDINVSKV-KRWDZBQOSA-N 2 1 374.485 0.963 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372649743 489615563 /nfs/dbraw/zinc/61/55/63/489615563.db2.gz OMCUKDDZHBOMBT-UFYCRDLUSA-N 2 1 373.497 0.945 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000372699721 489625993 /nfs/dbraw/zinc/62/59/93/489625993.db2.gz DKFSLHCLYDGJNI-SJORKVTESA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000372699721 489625996 /nfs/dbraw/zinc/62/59/96/489625996.db2.gz DKFSLHCLYDGJNI-SJORKVTESA-N 2 1 365.522 0.807 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428030635 489633789 /nfs/dbraw/zinc/63/37/89/489633789.db2.gz FCMPFTUYTKRWHS-WFASDCNBSA-N 2 1 352.460 0.346 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428030635 489633791 /nfs/dbraw/zinc/63/37/91/489633791.db2.gz FCMPFTUYTKRWHS-WFASDCNBSA-N 2 1 352.460 0.346 20 0 FCADMP COC[C@]1(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCC[NH2+]1 ZINC000416910437 489633795 /nfs/dbraw/zinc/63/37/95/489633795.db2.gz AWSVOVSVDCYCMC-IIDMSEBBSA-N 2 1 356.511 0.942 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000416940969 489634555 /nfs/dbraw/zinc/63/45/55/489634555.db2.gz BAHHSWMODZZGID-INIZCTEOSA-N 2 1 361.494 0.288 20 0 FCADMP CO[C@@H]1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000416945345 489635250 /nfs/dbraw/zinc/63/52/50/489635250.db2.gz VZIGAFBOIJWXHJ-BRWVUGGUSA-N 2 1 356.511 0.881 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417046485 489639934 /nfs/dbraw/zinc/63/99/34/489639934.db2.gz BIMZYHVZWRFCMR-GOEBONIOSA-N 2 1 353.511 0.746 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2CCC)CC1 ZINC000417053678 489639989 /nfs/dbraw/zinc/63/99/89/489639989.db2.gz SUPNUTGODLYKGL-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417050265 489639996 /nfs/dbraw/zinc/63/99/96/489639996.db2.gz JEGNYGRZRALXQD-MRXNPFEDSA-N 2 1 353.511 0.794 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000417079747 489640536 /nfs/dbraw/zinc/64/05/36/489640536.db2.gz VYBKAVFSLCKGBS-OCCSQVGLSA-N 2 1 363.428 0.606 20 0 FCADMP C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000417363656 489649416 /nfs/dbraw/zinc/64/94/16/489649416.db2.gz GIRLMUTVEBCSSN-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H]1[NH2+]CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000417363649 489649609 /nfs/dbraw/zinc/64/96/09/489649609.db2.gz AUPBRSUSPGMPMB-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600172 489650455 /nfs/dbraw/zinc/65/04/55/489650455.db2.gz MQFITHAQYHPZEG-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600172 489650458 /nfs/dbraw/zinc/65/04/58/489650458.db2.gz MQFITHAQYHPZEG-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000417387740 489651148 /nfs/dbraw/zinc/65/11/48/489651148.db2.gz HALAREQXSDUYNJ-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000457614654 489651734 /nfs/dbraw/zinc/65/17/34/489651734.db2.gz XDTHZYQQFFKVMT-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457614654 489651739 /nfs/dbraw/zinc/65/17/39/489651739.db2.gz XDTHZYQQFFKVMT-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417428143 489652648 /nfs/dbraw/zinc/65/26/48/489652648.db2.gz KFBUEXNQMOXLCF-JKSUJKDBSA-N 2 1 353.511 0.761 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417429272 489652914 /nfs/dbraw/zinc/65/29/14/489652914.db2.gz MTKUCNFEGRZLRF-BBWFWOEESA-N 2 1 365.522 0.616 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC(F)(F)C[NH3+])c1 ZINC000417458391 489654563 /nfs/dbraw/zinc/65/45/63/489654563.db2.gz DMZJFCASCSHZTI-UHFFFAOYSA-N 2 1 357.405 0.371 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428613200 489657249 /nfs/dbraw/zinc/65/72/49/489657249.db2.gz TXLCKLZPVROAAB-YOEHRIQHSA-N 2 1 360.458 0.365 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582723 489659041 /nfs/dbraw/zinc/65/90/41/489659041.db2.gz JFDFSSLUYKBHEK-UONOGXRCSA-N 2 1 365.444 0.996 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000417668887 489661214 /nfs/dbraw/zinc/66/12/14/489661214.db2.gz KRBLRGJLLCKAHE-BBWFWOEESA-N 2 1 356.511 0.801 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417750485 489663905 /nfs/dbraw/zinc/66/39/05/489663905.db2.gz XGZKPHUJQFMTLW-ZIAGYGMSSA-N 2 1 370.448 0.874 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417742805 489664119 /nfs/dbraw/zinc/66/41/19/489664119.db2.gz KSDXJNLJFKVTNN-IKGGRYGDSA-N 2 1 360.506 0.971 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000373080199 489666651 /nfs/dbraw/zinc/66/66/51/489666651.db2.gz KSTXZIBWWUAOGI-WMZOPIPTSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000373080199 489666653 /nfs/dbraw/zinc/66/66/53/489666653.db2.gz KSTXZIBWWUAOGI-WMZOPIPTSA-N 2 1 363.506 0.417 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417821823 489667602 /nfs/dbraw/zinc/66/76/02/489667602.db2.gz WKIRNBJYMCWMCV-ZDUSSCGKSA-N 2 1 353.433 0.854 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000417847210 489668704 /nfs/dbraw/zinc/66/87/04/489668704.db2.gz AGUDAUYCKRPGNN-IIAWOOMASA-N 2 1 351.495 0.641 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000417993663 489674762 /nfs/dbraw/zinc/67/47/62/489674762.db2.gz AUGGKTLCNGUJIM-AGIUHOORSA-N 2 1 351.417 0.604 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418075438 489677775 /nfs/dbraw/zinc/67/77/75/489677775.db2.gz PRDZSWWQLDJBCG-QGZVFWFLSA-N 2 1 350.463 0.240 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000458390512 489680299 /nfs/dbraw/zinc/68/02/99/489680299.db2.gz IDRMTJJKISBJGP-SFHVURJKSA-N 2 1 369.554 0.502 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000458406359 489681351 /nfs/dbraw/zinc/68/13/51/489681351.db2.gz CBKPRFWMAMNKCG-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000458406359 489681352 /nfs/dbraw/zinc/68/13/52/489681352.db2.gz CBKPRFWMAMNKCG-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000458406359 489681353 /nfs/dbraw/zinc/68/13/53/489681353.db2.gz CBKPRFWMAMNKCG-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP C[NH+](C)CCOc1cnccc1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418188623 489683592 /nfs/dbraw/zinc/68/35/92/489683592.db2.gz GOVSLMVCWXDMII-KRWDZBQOSA-N 2 1 353.442 0.865 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205920 489685166 /nfs/dbraw/zinc/68/51/66/489685166.db2.gz ZVGYIWLORUJOGF-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000418263670 489686648 /nfs/dbraw/zinc/68/66/48/489686648.db2.gz JWKVPLYPGCONLQ-MRXNPFEDSA-N 2 1 365.522 0.714 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000418263665 489686935 /nfs/dbraw/zinc/68/69/35/489686935.db2.gz JWKVPLYPGCONLQ-INIZCTEOSA-N 2 1 365.522 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418339267 489692951 /nfs/dbraw/zinc/69/29/51/489692951.db2.gz DYNVKZIRQBGDKM-KRWDZBQOSA-N 2 1 367.538 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418339267 489692954 /nfs/dbraw/zinc/69/29/54/489692954.db2.gz DYNVKZIRQBGDKM-KRWDZBQOSA-N 2 1 367.538 0.962 20 0 FCADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(F)(F)C[NH3+] ZINC000418519442 489703702 /nfs/dbraw/zinc/70/37/02/489703702.db2.gz BKMCGMJVSZDPFU-INIZCTEOSA-N 2 1 356.417 0.859 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(F)(F)C[NH3+] ZINC000418519442 489703705 /nfs/dbraw/zinc/70/37/05/489703705.db2.gz BKMCGMJVSZDPFU-INIZCTEOSA-N 2 1 356.417 0.859 20 0 FCADMP CCc1nnc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)[nH]1 ZINC000458883562 489706271 /nfs/dbraw/zinc/70/62/71/489706271.db2.gz CIAFUWGKLJRJHE-CQSZACIVSA-N 2 1 351.499 0.925 20 0 FCADMP CCc1nc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n[nH]1 ZINC000458883562 489706275 /nfs/dbraw/zinc/70/62/75/489706275.db2.gz CIAFUWGKLJRJHE-CQSZACIVSA-N 2 1 351.499 0.925 20 0 FCADMP CCc1nc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n[nH]1 ZINC000458883562 489706279 /nfs/dbraw/zinc/70/62/79/489706279.db2.gz CIAFUWGKLJRJHE-CQSZACIVSA-N 2 1 351.499 0.925 20 0 FCADMP COCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCO[C@H]1C ZINC000489406563 489710275 /nfs/dbraw/zinc/71/02/75/489710275.db2.gz QBRCVTMNNZVDRU-HOTGVXAUSA-N 2 1 357.495 0.339 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418634076 489713412 /nfs/dbraw/zinc/71/34/12/489713412.db2.gz YFXBEWQGNUPBOX-PMPSAXMXSA-N 2 1 356.511 0.894 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418660015 489716450 /nfs/dbraw/zinc/71/64/50/489716450.db2.gz WRLFDAXVVRCHGB-AEFFLSMTSA-N 2 1 356.511 0.897 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418756087 489722976 /nfs/dbraw/zinc/72/29/76/489722976.db2.gz COFVMWJAOWZSLN-FGTMMUONSA-N 2 1 362.474 0.157 20 0 FCADMP COC[C@]1(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC[NH2+]1 ZINC000563875120 491274089 /nfs/dbraw/zinc/27/40/89/491274089.db2.gz OYHFMKNPJXTIOA-SOLBZPMBSA-N 2 1 354.495 0.698 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418837370 489747965 /nfs/dbraw/zinc/74/79/65/489747965.db2.gz SOPXDZPPISHQED-MRXNPFEDSA-N 2 1 366.506 0.254 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)C(=O)N1CCCCC1 ZINC000430595032 489749364 /nfs/dbraw/zinc/74/93/64/489749364.db2.gz TUZIIDUBTPBPMB-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537037 489750057 /nfs/dbraw/zinc/75/00/57/489750057.db2.gz AZWVNLJPVYYSHP-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537037 489750060 /nfs/dbraw/zinc/75/00/60/489750060.db2.gz AZWVNLJPVYYSHP-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C[C@H](C)N1 ZINC000418842366 489752374 /nfs/dbraw/zinc/75/23/74/489752374.db2.gz ZVWUJWCTHZTNFR-SOLBZPMBSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613243 489753023 /nfs/dbraw/zinc/75/30/23/489753023.db2.gz UUJGIILNMIMCFB-INMHGKMJSA-N 2 1 374.485 0.802 20 0 FCADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614844 489754013 /nfs/dbraw/zinc/75/40/13/489754013.db2.gz AMALLCAWZMHLGQ-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000418848153 489754423 /nfs/dbraw/zinc/75/44/23/489754423.db2.gz KRYRRHDQVCFUCZ-YCPHGPKFSA-N 2 1 362.474 0.671 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)cn1 ZINC000430618526 489754583 /nfs/dbraw/zinc/75/45/83/489754583.db2.gz VCHPHPIYWNXLJJ-ZDUSSCGKSA-N 2 1 365.865 0.817 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)cn1 ZINC000430618526 489754588 /nfs/dbraw/zinc/75/45/88/489754588.db2.gz VCHPHPIYWNXLJJ-ZDUSSCGKSA-N 2 1 365.865 0.817 20 0 FCADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430619530 489754867 /nfs/dbraw/zinc/75/48/67/489754867.db2.gz GFVRXCZUJNYXJK-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430617104 489755306 /nfs/dbraw/zinc/75/53/06/489755306.db2.gz KADRPVNBVQGMJL-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430617104 489755309 /nfs/dbraw/zinc/75/53/09/489755309.db2.gz KADRPVNBVQGMJL-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418848962 489755886 /nfs/dbraw/zinc/75/58/86/489755886.db2.gz MASKDMBCOUCXPS-BPUTZDHNSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624454 489756169 /nfs/dbraw/zinc/75/61/69/489756169.db2.gz IGFDENHEMNDRAB-ZFWWWQNUSA-N 2 1 350.438 0.617 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1C ZINC000418851498 489756598 /nfs/dbraw/zinc/75/65/98/489756598.db2.gz FIHKSJYUCXXFKZ-JKSUJKDBSA-N 2 1 370.457 0.056 20 0 FCADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626996 489757215 /nfs/dbraw/zinc/75/72/15/489757215.db2.gz LPHMBEUTJFDROA-MRXNPFEDSA-N 2 1 362.474 0.441 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000418855601 489759102 /nfs/dbraw/zinc/75/91/02/489759102.db2.gz VEAUXAURIDSLRV-ZBFHGGJFSA-N 2 1 364.490 0.904 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636979 489760389 /nfs/dbraw/zinc/76/03/89/489760389.db2.gz BNRSEIXSAQEVNT-HOCLYGCPSA-N 2 1 360.458 0.587 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636979 489760394 /nfs/dbraw/zinc/76/03/94/489760394.db2.gz BNRSEIXSAQEVNT-HOCLYGCPSA-N 2 1 360.458 0.587 20 0 FCADMP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640875 489760597 /nfs/dbraw/zinc/76/05/97/489760597.db2.gz LFNQHUFXSYEMAC-HKUYNNGSSA-N 2 1 372.513 0.878 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)n1C ZINC000418857430 489760773 /nfs/dbraw/zinc/76/07/73/489760773.db2.gz RXHIVRRVUXFVQT-CQSZACIVSA-N 2 1 350.467 0.126 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418859764 489761556 /nfs/dbraw/zinc/76/15/56/489761556.db2.gz KTPNLTGVRGVCSW-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418860672 489762641 /nfs/dbraw/zinc/76/26/41/489762641.db2.gz MALUNBIVTNGMCT-PXNSSMCTSA-N 2 1 356.470 0.589 20 0 FCADMP C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)CC(=O)N1CC[NH2+]CC1 ZINC000430661960 489762897 /nfs/dbraw/zinc/76/28/97/489762897.db2.gz HAQCVKSJOOLPAM-UHFFFAOYSA-N 2 1 371.489 0.874 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000430654113 489763623 /nfs/dbraw/zinc/76/36/23/489763623.db2.gz PNSZFLQHJOCTNW-MRXNPFEDSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418863222 489763770 /nfs/dbraw/zinc/76/37/70/489763770.db2.gz PCJMFUXRKIFFFR-HCXYKTFWSA-N 2 1 370.497 0.881 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418863725 489763846 /nfs/dbraw/zinc/76/38/46/489763846.db2.gz PQXHNWGORLPZSX-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671073 489764452 /nfs/dbraw/zinc/76/44/52/489764452.db2.gz XBQDUXGDXDGGIB-LSDHHAIUSA-N 2 1 367.494 0.001 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418865336 489764569 /nfs/dbraw/zinc/76/45/69/489764569.db2.gz RKLGGUKUUVFWHH-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418867947 489766246 /nfs/dbraw/zinc/76/62/46/489766246.db2.gz VHWJTGKJOCLCOA-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430718004 489767046 /nfs/dbraw/zinc/76/70/46/489767046.db2.gz FYPPVHGRXRDCSU-QWHCGFSZSA-N 2 1 350.467 0.038 20 0 FCADMP Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430718004 489767048 /nfs/dbraw/zinc/76/70/48/489767048.db2.gz FYPPVHGRXRDCSU-QWHCGFSZSA-N 2 1 350.467 0.038 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000430726554 489767360 /nfs/dbraw/zinc/76/73/60/489767360.db2.gz VIZOQFPWQFBVLE-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP Cc1c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430770533 489769799 /nfs/dbraw/zinc/76/97/99/489769799.db2.gz SHJUBUGGXUXFAX-ZDUSSCGKSA-N 2 1 350.467 0.352 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418875046 489769927 /nfs/dbraw/zinc/76/99/27/489769927.db2.gz CMAGATGWEMMEAY-HNNXBMFYSA-N 2 1 354.495 0.381 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418879000 489770810 /nfs/dbraw/zinc/77/08/10/489770810.db2.gz MVLMNFUEPWSAGQ-HOCLYGCPSA-N 2 1 354.495 0.237 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418876558 489771425 /nfs/dbraw/zinc/77/14/25/489771425.db2.gz GOYBJRSXJQDDHM-SMDDNHRTSA-N 2 1 356.829 0.663 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418880704 489773652 /nfs/dbraw/zinc/77/36/52/489773652.db2.gz PWEQZPIJIITVEM-YHUYYLMFSA-N 2 1 350.507 0.951 20 0 FCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000430920977 489777256 /nfs/dbraw/zinc/77/72/56/489777256.db2.gz WUGMJOORMUSNDZ-CYBMUJFWSA-N 2 1 368.503 0.949 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1C ZINC000430932889 489778434 /nfs/dbraw/zinc/77/84/34/489778434.db2.gz GSKVBYZWPYYDGC-ZDUSSCGKSA-N 2 1 368.503 0.901 20 0 FCADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960934 489782139 /nfs/dbraw/zinc/78/21/39/489782139.db2.gz LWUOHOPLRFXPMP-HNNXBMFYSA-N 2 1 369.487 0.367 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000418900504 489782329 /nfs/dbraw/zinc/78/23/29/489782329.db2.gz DCIFSEBLBKCJDT-TVFCKZIOSA-N 2 1 374.485 0.513 20 0 FCADMP Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000431042113 489786197 /nfs/dbraw/zinc/78/61/97/489786197.db2.gz CRBHNYKZKWOJEP-CYBMUJFWSA-N 2 1 350.467 0.209 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000459915608 489791121 /nfs/dbraw/zinc/79/11/21/489791121.db2.gz HNFIGGSJMWEYCG-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418928697 489794027 /nfs/dbraw/zinc/79/40/27/489794027.db2.gz VHSUTQYEWNUWBT-GOSISDBHSA-N 2 1 374.485 0.379 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000459921183 489794337 /nfs/dbraw/zinc/79/43/37/489794337.db2.gz OOHMPBAAMQXUQP-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000418930481 489794613 /nfs/dbraw/zinc/79/46/13/489794613.db2.gz XXEZHWNSFGURBH-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431286819 489799031 /nfs/dbraw/zinc/79/90/31/489799031.db2.gz ZYIYFDSSPSTSCS-OAHLLOKOSA-N 2 1 351.495 0.515 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000418945035 489799355 /nfs/dbraw/zinc/79/93/55/489799355.db2.gz KXELWVDBBPVJHW-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459997723 489812777 /nfs/dbraw/zinc/81/27/77/489812777.db2.gz TYBAVOJXWTXQLF-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000460010010 489817041 /nfs/dbraw/zinc/81/70/41/489817041.db2.gz OUMXGQUXUUSTOE-QGZVFWFLSA-N 2 1 373.501 0.839 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000460010010 489817045 /nfs/dbraw/zinc/81/70/45/489817045.db2.gz OUMXGQUXUUSTOE-QGZVFWFLSA-N 2 1 373.501 0.839 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419017558 489819833 /nfs/dbraw/zinc/81/98/33/489819833.db2.gz BBMYDKFNDRZDGM-ZJIFWQFVSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022319 489821631 /nfs/dbraw/zinc/82/16/31/489821631.db2.gz IEOAJWLWHYWBBL-QLFBSQMISA-N 2 1 368.522 0.842 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1F ZINC000419026790 489823223 /nfs/dbraw/zinc/82/32/23/489823223.db2.gz NVMPIGSIAKGXOK-CQSZACIVSA-N 2 1 359.405 0.743 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419034206 489827174 /nfs/dbraw/zinc/82/71/74/489827174.db2.gz DITGMQYADMTMGP-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000419040086 489830511 /nfs/dbraw/zinc/83/05/11/489830511.db2.gz LUHFHKAAAMOBEZ-HZMVEIRTSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419045343 489833110 /nfs/dbraw/zinc/83/31/10/489833110.db2.gz NQIJAPDORXYMFU-NXHRZFHOSA-N 2 1 374.485 0.514 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419047958 489834304 /nfs/dbraw/zinc/83/43/04/489834304.db2.gz UTRJNKGHZAZSOE-OIISXLGYSA-N 2 1 360.458 0.124 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419047059 489834328 /nfs/dbraw/zinc/83/43/28/489834328.db2.gz RGJOVGBORCCDSX-OWCLPIDISA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000460055259 489835901 /nfs/dbraw/zinc/83/59/01/489835901.db2.gz FXWYALPCZIOSNZ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)CCO1 ZINC000460060196 489837623 /nfs/dbraw/zinc/83/76/23/489837623.db2.gz SUFYVZKIHSBNQV-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000460067519 489840872 /nfs/dbraw/zinc/84/08/72/489840872.db2.gz STSUBTBUOJSLMF-MRXNPFEDSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920177 491282897 /nfs/dbraw/zinc/28/28/97/491282897.db2.gz CIPGXKFQQMOQDV-DLBZAZTESA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920177 491282905 /nfs/dbraw/zinc/28/29/05/491282905.db2.gz CIPGXKFQQMOQDV-DLBZAZTESA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920177 491282907 /nfs/dbraw/zinc/28/29/07/491282907.db2.gz CIPGXKFQQMOQDV-DLBZAZTESA-N 2 1 369.554 0.221 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419085780 489850527 /nfs/dbraw/zinc/85/05/27/489850527.db2.gz MUUNKCJTVCJXIU-HUUCEWRRSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000419088353 489851549 /nfs/dbraw/zinc/85/15/49/489851549.db2.gz RDUIKHAIAJRSAU-KLHDSHLOSA-N 2 1 368.522 0.624 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419086987 489851678 /nfs/dbraw/zinc/85/16/78/489851678.db2.gz OYXJRBRUPUXHTI-SOUVJXGZSA-N 2 1 356.511 0.624 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419089545 489852242 /nfs/dbraw/zinc/85/22/42/489852242.db2.gz UCKBRKXEDHCPTF-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419089545 489852246 /nfs/dbraw/zinc/85/22/46/489852246.db2.gz UCKBRKXEDHCPTF-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419091134 489852416 /nfs/dbraw/zinc/85/24/16/489852416.db2.gz VTGNLARYPPSEEV-OAGGEKHMSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419089961 489852518 /nfs/dbraw/zinc/85/25/18/489852518.db2.gz URUABXLMOYJUSG-QLFBSQMISA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419089961 489852522 /nfs/dbraw/zinc/85/25/22/489852522.db2.gz URUABXLMOYJUSG-QLFBSQMISA-N 2 1 354.495 0.106 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]c1 ZINC000419097027 489854034 /nfs/dbraw/zinc/85/40/34/489854034.db2.gz MTCMAJQSEPXGGH-HRCADAONSA-N 2 1 359.474 0.894 20 0 FCADMP COc1cccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000460237826 489857359 /nfs/dbraw/zinc/85/73/59/489857359.db2.gz BLDCOZCKOGZLDC-WMZOPIPTSA-N 2 1 350.463 0.664 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419110687 489858809 /nfs/dbraw/zinc/85/88/09/489858809.db2.gz CLBSBYMOUBYSNZ-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419115747 489862523 /nfs/dbraw/zinc/86/25/23/489862523.db2.gz KJSSZUKCGYGPPF-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419119457 489864615 /nfs/dbraw/zinc/86/46/15/489864615.db2.gz JVYNHBATMRVRFC-WMZOPIPTSA-N 2 1 373.501 0.935 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419121919 489866199 /nfs/dbraw/zinc/86/61/99/489866199.db2.gz SJOFHQZMSVIJDI-QGZVFWFLSA-N 2 1 366.506 0.276 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419122787 489867553 /nfs/dbraw/zinc/86/75/53/489867553.db2.gz URCAKYUWPINWMR-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP [NH3+]C1CCN(CCCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000433122809 489868154 /nfs/dbraw/zinc/86/81/54/489868154.db2.gz WZXFNGILXFYFNP-UHFFFAOYSA-N 2 1 352.523 0.951 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000419125552 489868824 /nfs/dbraw/zinc/86/88/24/489868824.db2.gz KAUKLOLDEQWLLK-IKGGRYGDSA-N 2 1 367.538 0.103 20 0 FCADMP CN1CCN(c2ccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000433163244 489870076 /nfs/dbraw/zinc/87/00/76/489870076.db2.gz WWVOXBABLAGRFQ-UHFFFAOYSA-N 2 1 374.533 0.653 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000419977726 489871639 /nfs/dbraw/zinc/87/16/39/489871639.db2.gz NBBFURJOSDDVFI-CABCVRRESA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419982268 489872392 /nfs/dbraw/zinc/87/23/92/489872392.db2.gz BCKZWMBXOVWDJJ-HRCADAONSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419983595 489873298 /nfs/dbraw/zinc/87/32/98/489873298.db2.gz CHTSTUYKZRXLJC-MRXNPFEDSA-N 2 1 361.490 0.121 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CCCO1 ZINC000433339315 489877314 /nfs/dbraw/zinc/87/73/14/489877314.db2.gz ZPZBIIDAPVQQKG-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000377313881 489883114 /nfs/dbraw/zinc/88/31/14/489883114.db2.gz AATXGABELNXJKD-WMZOPIPTSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420023539 489884314 /nfs/dbraw/zinc/88/43/14/489884314.db2.gz APYFMTBDZPXELU-ZNMIVQPWSA-N 2 1 354.495 0.310 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433467056 489888109 /nfs/dbraw/zinc/88/81/09/489888109.db2.gz PHWPKZLTOREUFO-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420064467 489899906 /nfs/dbraw/zinc/89/99/06/489899906.db2.gz OWMLFCIZTYAYNP-IIDMSEBBSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420064467 489899909 /nfs/dbraw/zinc/89/99/09/489899909.db2.gz OWMLFCIZTYAYNP-IIDMSEBBSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420065368 489900047 /nfs/dbraw/zinc/90/00/47/489900047.db2.gz POPYOSSWBZJOOF-VBQJREDUSA-N 2 1 366.506 0.188 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000420064953 489900099 /nfs/dbraw/zinc/90/00/99/489900099.db2.gz PFOQPPDUQXILHB-QGZVFWFLSA-N 2 1 350.507 0.955 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000494641126 489901733 /nfs/dbraw/zinc/90/17/33/489901733.db2.gz DMWYKDLPJINOBH-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070091 489901951 /nfs/dbraw/zinc/90/19/51/489901951.db2.gz JEQMWEDZHYVADI-RHSMWYFYSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420073065 489903279 /nfs/dbraw/zinc/90/32/79/489903279.db2.gz XYEMBVVXKDKGQE-VYDXJSESSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000420087378 489907573 /nfs/dbraw/zinc/90/75/73/489907573.db2.gz FRCFPYLABJCILC-QLFBSQMISA-N 2 1 352.479 0.084 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000420087378 489907579 /nfs/dbraw/zinc/90/75/79/489907579.db2.gz FRCFPYLABJCILC-QLFBSQMISA-N 2 1 352.479 0.084 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000555963723 491286579 /nfs/dbraw/zinc/28/65/79/491286579.db2.gz GYSDIBRJNOCNGE-UHFFFAOYSA-N 2 1 361.471 0.967 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420128860 489922591 /nfs/dbraw/zinc/92/25/91/489922591.db2.gz UHOOZGDJWDAJEV-HNNXBMFYSA-N 2 1 355.527 0.105 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420128860 489922597 /nfs/dbraw/zinc/92/25/97/489922597.db2.gz UHOOZGDJWDAJEV-HNNXBMFYSA-N 2 1 355.527 0.105 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCc1cccc(Cn2ccnc2)c1)C1CC1 ZINC000556012197 491288996 /nfs/dbraw/zinc/28/89/96/491288996.db2.gz UXMIYAAULQPBIR-UHFFFAOYSA-N 2 1 355.442 0.758 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000420156285 489934843 /nfs/dbraw/zinc/93/48/43/489934843.db2.gz FKCQYRTZUIHUCL-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000420156285 489934847 /nfs/dbraw/zinc/93/48/47/489934847.db2.gz FKCQYRTZUIHUCL-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC[C@H]21 ZINC000420157828 489934870 /nfs/dbraw/zinc/93/48/70/489934870.db2.gz GUWDRVJBZYMXTN-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000571157682 491289289 /nfs/dbraw/zinc/28/92/89/491289289.db2.gz YCMYERRFLSYHBD-YFHUEUNASA-N 2 1 360.502 0.530 20 0 FCADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420169699 489939042 /nfs/dbraw/zinc/93/90/42/489939042.db2.gz MLQVFDWFGOABQF-HNNXBMFYSA-N 2 1 368.428 0.677 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420169699 489939047 /nfs/dbraw/zinc/93/90/47/489939047.db2.gz MLQVFDWFGOABQF-HNNXBMFYSA-N 2 1 368.428 0.677 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420173581 489940062 /nfs/dbraw/zinc/94/00/62/489940062.db2.gz XKHUUXZEYKVUKS-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420173581 489940064 /nfs/dbraw/zinc/94/00/64/489940064.db2.gz XKHUUXZEYKVUKS-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420180147 489942354 /nfs/dbraw/zinc/94/23/54/489942354.db2.gz WPVATRUXFXABSJ-UHFFFAOYSA-N 2 1 360.380 0.426 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000420198452 489949688 /nfs/dbraw/zinc/94/96/88/489949688.db2.gz CKFBDMHFCWAOOE-UHDSXZAQSA-N 2 1 350.507 0.727 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420203049 489950853 /nfs/dbraw/zinc/95/08/53/489950853.db2.gz GMRUPKFJLFQILR-NXOAAHMSSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420203051 489951104 /nfs/dbraw/zinc/95/11/04/489951104.db2.gz GMRUPKFJLFQILR-VQHPVUNQSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420207299 489953052 /nfs/dbraw/zinc/95/30/52/489953052.db2.gz UGADWZSMYUSETN-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000377802003 489959801 /nfs/dbraw/zinc/95/98/01/489959801.db2.gz DQRYYJFYSFOJKU-BRSBDYLESA-N 2 1 353.507 0.912 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284189 489960636 /nfs/dbraw/zinc/96/06/36/489960636.db2.gz CMIWDDLHAYIXRP-NEPJUHHUSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284189 489960639 /nfs/dbraw/zinc/96/06/39/489960639.db2.gz CMIWDDLHAYIXRP-NEPJUHHUSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420297651 489960930 /nfs/dbraw/zinc/96/09/30/489960930.db2.gz RIZJEJKSBJNROO-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329219 489963790 /nfs/dbraw/zinc/96/37/90/489963790.db2.gz OCANHMFSNHPMRG-UONOGXRCSA-N 2 1 363.462 0.857 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH2+][C@@H](C)C1 ZINC000420337651 489964593 /nfs/dbraw/zinc/96/45/93/489964593.db2.gz MMLXQPOGFCFHSY-DLBZAZTESA-N 2 1 360.502 0.817 20 0 FCADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346006 489965400 /nfs/dbraw/zinc/96/54/00/489965400.db2.gz CAMPSSCOODOEFQ-KRWDZBQOSA-N 2 1 358.486 0.954 20 0 FCADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346006 489965403 /nfs/dbraw/zinc/96/54/03/489965403.db2.gz CAMPSSCOODOEFQ-KRWDZBQOSA-N 2 1 358.486 0.954 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000420346538 489965788 /nfs/dbraw/zinc/96/57/88/489965788.db2.gz DDZXLMHHXBXMMI-MRXNPFEDSA-N 2 1 350.438 0.300 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000420346538 489965792 /nfs/dbraw/zinc/96/57/92/489965792.db2.gz DDZXLMHHXBXMMI-MRXNPFEDSA-N 2 1 350.438 0.300 20 0 FCADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350126 489966231 /nfs/dbraw/zinc/96/62/31/489966231.db2.gz RLEXUCZUSFBTDI-GOSISDBHSA-N 2 1 360.502 0.778 20 0 FCADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350126 489966235 /nfs/dbraw/zinc/96/62/35/489966235.db2.gz RLEXUCZUSFBTDI-GOSISDBHSA-N 2 1 360.502 0.778 20 0 FCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350379 489966361 /nfs/dbraw/zinc/96/63/61/489966361.db2.gz SNISYFHSDZUQDD-KURKYZTESA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350379 489966364 /nfs/dbraw/zinc/96/63/64/489966364.db2.gz SNISYFHSDZUQDD-KURKYZTESA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350383 489966614 /nfs/dbraw/zinc/96/66/14/489966614.db2.gz SNISYFHSDZUQDD-SQNIBIBYSA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350383 489966618 /nfs/dbraw/zinc/96/66/18/489966618.db2.gz SNISYFHSDZUQDD-SQNIBIBYSA-N 2 1 352.523 0.677 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCc1ccc(OC(F)F)cc1 ZINC000420351615 489966819 /nfs/dbraw/zinc/96/68/19/489966819.db2.gz XQRAZJCNDVWJBZ-HNNXBMFYSA-N 2 1 368.428 0.884 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCc1ccc(OC(F)F)cc1 ZINC000420351615 489966821 /nfs/dbraw/zinc/96/68/21/489966821.db2.gz XQRAZJCNDVWJBZ-HNNXBMFYSA-N 2 1 368.428 0.884 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000420363129 489967584 /nfs/dbraw/zinc/96/75/84/489967584.db2.gz OZPLXVFESDOMKU-UHFFFAOYSA-N 3 1 354.539 0.879 20 0 FCADMP COCC[N@H+](C)CCCC1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000420363129 489967589 /nfs/dbraw/zinc/96/75/89/489967589.db2.gz OZPLXVFESDOMKU-UHFFFAOYSA-N 2 1 354.539 0.879 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000420363129 489967592 /nfs/dbraw/zinc/96/75/92/489967592.db2.gz OZPLXVFESDOMKU-UHFFFAOYSA-N 2 1 354.539 0.879 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420386550 489970570 /nfs/dbraw/zinc/97/05/70/489970570.db2.gz UZNIAVLXJVFCRA-OAGGEKHMSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420386550 489970572 /nfs/dbraw/zinc/97/05/72/489970572.db2.gz UZNIAVLXJVFCRA-OAGGEKHMSA-N 2 1 362.474 0.869 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C(=O)OC ZINC000420395686 489971276 /nfs/dbraw/zinc/97/12/76/489971276.db2.gz UISAFWKPKFVQGI-SCNOPHJPSA-N 2 1 369.506 0.909 20 0 FCADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396802 489971800 /nfs/dbraw/zinc/97/18/00/489971800.db2.gz DTFBBKWZIQQOMQ-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396802 489971807 /nfs/dbraw/zinc/97/18/07/489971807.db2.gz DTFBBKWZIQQOMQ-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CSC1(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000462515467 489980190 /nfs/dbraw/zinc/98/01/90/489980190.db2.gz TZHYEBZHMFCUEA-MRXNPFEDSA-N 2 1 374.551 0.196 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000477968630 489998471 /nfs/dbraw/zinc/99/84/71/489998471.db2.gz VMALJDWHCYCTHK-GJYPPUQNSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000477968629 489998692 /nfs/dbraw/zinc/99/86/92/489998692.db2.gz VMALJDWHCYCTHK-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP COc1nc(N(C)C[C@@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420630947 490002714 /nfs/dbraw/zinc/00/27/14/490002714.db2.gz FVXQEPZFEAABFE-GJZGRUSLSA-N 2 1 363.510 0.941 20 0 FCADMP CC(C)[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000436487941 490006560 /nfs/dbraw/zinc/00/65/60/490006560.db2.gz LWOXTCJCEAEHJQ-MRXNPFEDSA-N 2 1 365.526 0.838 20 0 FCADMP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000564208004 491294106 /nfs/dbraw/zinc/29/41/06/491294106.db2.gz LLXSBQCJRGNTDO-OCCSQVGLSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000564208004 491294107 /nfs/dbraw/zinc/29/41/07/491294107.db2.gz LLXSBQCJRGNTDO-OCCSQVGLSA-N 2 1 350.488 0.479 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccnc(C[NH3+])c3)CC2)C1 ZINC000463494326 490020818 /nfs/dbraw/zinc/02/08/18/490020818.db2.gz NQWOHETVLBODDE-GOSISDBHSA-N 2 1 361.490 0.407 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000420802304 490023311 /nfs/dbraw/zinc/02/33/11/490023311.db2.gz RQJVMBOMJPEFKW-QQFBHYJXSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420906017 490030366 /nfs/dbraw/zinc/03/03/66/490030366.db2.gz RKVUYKVGUWISCY-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000420906017 490030371 /nfs/dbraw/zinc/03/03/71/490030371.db2.gz RKVUYKVGUWISCY-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000420906017 490030376 /nfs/dbraw/zinc/03/03/76/490030376.db2.gz RKVUYKVGUWISCY-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000420916421 490031920 /nfs/dbraw/zinc/03/19/20/490031920.db2.gz OLGVZSIXAFESOF-FQEVSTJZSA-N 2 1 363.502 0.644 20 0 FCADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000420916421 490031923 /nfs/dbraw/zinc/03/19/23/490031923.db2.gz OLGVZSIXAFESOF-FQEVSTJZSA-N 2 1 363.502 0.644 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044541 490050931 /nfs/dbraw/zinc/05/09/31/490050931.db2.gz XDNOGJCBYSBFOZ-UKRRQHHQSA-N 2 1 356.430 1.004 20 0 FCADMP CC(C)(CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000479036789 490063618 /nfs/dbraw/zinc/06/36/18/490063618.db2.gz VIQDQAYFKOWDBD-SFHVURJKSA-N 2 1 356.511 0.491 20 0 FCADMP CC(C)(CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000479036788 490064251 /nfs/dbraw/zinc/06/42/51/490064251.db2.gz VIQDQAYFKOWDBD-GOSISDBHSA-N 2 1 356.511 0.491 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061398 490066310 /nfs/dbraw/zinc/06/63/10/490066310.db2.gz ROELBQQQTDYZMM-OLZOCXBDSA-N 2 1 354.476 0.722 20 0 FCADMP COCC1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000479201457 490072560 /nfs/dbraw/zinc/07/25/60/490072560.db2.gz GMMLWYCORWZSIT-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815863 490089113 /nfs/dbraw/zinc/08/91/13/490089113.db2.gz YMWMXRBUPFWSED-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@H+]1C ZINC000506433780 490091652 /nfs/dbraw/zinc/09/16/52/490091652.db2.gz ZPGXMQSCEHOQFL-YJBOKZPZSA-N 2 1 372.513 0.801 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496333074 490114394 /nfs/dbraw/zinc/11/43/94/490114394.db2.gz RQLOUTWNEFNVJR-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C[C@@H](C)O1 ZINC000520228387 490118949 /nfs/dbraw/zinc/11/89/49/490118949.db2.gz JEZUWDFEOUGDBB-MDZRGWNJSA-N 2 1 360.502 0.929 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000571326601 491300671 /nfs/dbraw/zinc/30/06/71/491300671.db2.gz IKKZJAMYAZYGMM-ZWKOTPCHSA-N 2 1 358.486 0.870 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@H+]1C ZINC000571326601 491300674 /nfs/dbraw/zinc/30/06/74/491300674.db2.gz IKKZJAMYAZYGMM-ZWKOTPCHSA-N 2 1 358.486 0.870 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@@H+]1C ZINC000571326597 491300755 /nfs/dbraw/zinc/30/07/55/491300755.db2.gz IKKZJAMYAZYGMM-QZTJIDSGSA-N 2 1 358.486 0.870 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@H+]1C ZINC000571326597 491300756 /nfs/dbraw/zinc/30/07/56/491300756.db2.gz IKKZJAMYAZYGMM-QZTJIDSGSA-N 2 1 358.486 0.870 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000465881357 490148630 /nfs/dbraw/zinc/14/86/30/490148630.db2.gz UNCBVLQTEYWEJK-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000465869988 490150080 /nfs/dbraw/zinc/15/00/80/490150080.db2.gz HVEXOOUSWKEKKH-MSOLQXFVSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000465869988 490150089 /nfs/dbraw/zinc/15/00/89/490150089.db2.gz HVEXOOUSWKEKKH-MSOLQXFVSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000465869988 490150100 /nfs/dbraw/zinc/15/01/00/490150100.db2.gz HVEXOOUSWKEKKH-MSOLQXFVSA-N 3 1 368.570 0.290 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000465869988 490150107 /nfs/dbraw/zinc/15/01/07/490150107.db2.gz HVEXOOUSWKEKKH-MSOLQXFVSA-N 2 1 368.570 0.290 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000465869988 490150117 /nfs/dbraw/zinc/15/01/17/490150117.db2.gz HVEXOOUSWKEKKH-MSOLQXFVSA-N 2 1 368.570 0.290 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000465919293 490153147 /nfs/dbraw/zinc/15/31/47/490153147.db2.gz AJAJVUUSTRKCDJ-GOSISDBHSA-N 2 1 369.554 0.502 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556206797 491303138 /nfs/dbraw/zinc/30/31/38/491303138.db2.gz NXILGLPPOASTRR-CRAIPNDOSA-N 2 1 370.563 0.634 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000465948203 490156548 /nfs/dbraw/zinc/15/65/48/490156548.db2.gz AWVGXMHFRRMICF-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012274 490166392 /nfs/dbraw/zinc/16/63/92/490166392.db2.gz UDVWRPDELLQQBF-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000497509692 490170519 /nfs/dbraw/zinc/17/05/19/490170519.db2.gz XIRSZFVANHTIMR-KRWDZBQOSA-N 2 1 357.568 0.703 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571423016 491307093 /nfs/dbraw/zinc/30/70/93/491307093.db2.gz FRAXADSUMDVVOR-BBWFWOEESA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571423016 491307095 /nfs/dbraw/zinc/30/70/95/491307095.db2.gz FRAXADSUMDVVOR-BBWFWOEESA-N 2 1 368.522 0.591 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1COCCN1C ZINC000497848938 490223491 /nfs/dbraw/zinc/22/34/91/490223491.db2.gz SRKFESUQKIQRIU-LJQANCHMSA-N 2 1 366.550 0.972 20 0 FCADMP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387755 490228221 /nfs/dbraw/zinc/22/82/21/490228221.db2.gz UUGXYKMAQUEHHC-SJLPKXTDSA-N 2 1 371.522 0.321 20 0 FCADMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387755 490228229 /nfs/dbraw/zinc/22/82/29/490228229.db2.gz UUGXYKMAQUEHHC-SJLPKXTDSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C2CCC2)C1 ZINC000521151005 490229713 /nfs/dbraw/zinc/22/97/13/490229713.db2.gz SMGDKVBSZHHSIB-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+](C2CCC2)C1 ZINC000521151005 490229720 /nfs/dbraw/zinc/22/97/20/490229720.db2.gz SMGDKVBSZHHSIB-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C[NH+]1CCCC1 ZINC000556372806 491312913 /nfs/dbraw/zinc/31/29/13/491312913.db2.gz YRIAYAQYLNYOEC-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC(F)F)c2)C1 ZINC000498209462 490273240 /nfs/dbraw/zinc/27/32/40/490273240.db2.gz YQKBMYMEWUMGCU-HUUCEWRRSA-N 2 1 368.428 0.983 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422374199 490285284 /nfs/dbraw/zinc/28/52/84/490285284.db2.gz CEEMCSMASCWNIE-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000422374199 490285292 /nfs/dbraw/zinc/28/52/92/490285292.db2.gz CEEMCSMASCWNIE-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CCCO1 ZINC000422374199 490285299 /nfs/dbraw/zinc/28/52/99/490285299.db2.gz CEEMCSMASCWNIE-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000422379268 490287826 /nfs/dbraw/zinc/28/78/26/490287826.db2.gz NUCMJYAYDSDULH-DLBZAZTESA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379268 490287828 /nfs/dbraw/zinc/28/78/28/490287828.db2.gz NUCMJYAYDSDULH-DLBZAZTESA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379268 490287831 /nfs/dbraw/zinc/28/78/31/490287831.db2.gz NUCMJYAYDSDULH-DLBZAZTESA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447919334 490294016 /nfs/dbraw/zinc/29/40/16/490294016.db2.gz DSZMEIXXGSXEAR-AITUJVMLSA-N 2 1 361.486 0.895 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447959894 490303746 /nfs/dbraw/zinc/30/37/46/490303746.db2.gz UOGXMIQXITVCDR-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447959894 490303753 /nfs/dbraw/zinc/30/37/53/490303753.db2.gz UOGXMIQXITVCDR-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447973927 490306816 /nfs/dbraw/zinc/30/68/16/490306816.db2.gz CDEPLKWRPYVEJB-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447973927 490306820 /nfs/dbraw/zinc/30/68/20/490306820.db2.gz CDEPLKWRPYVEJB-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)CC2)cc[nH+]1 ZINC000467692505 490331001 /nfs/dbraw/zinc/33/10/01/490331001.db2.gz SQVLNYSFXKLICU-GOOCMWNKSA-N 2 1 372.473 0.006 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000448325507 490334327 /nfs/dbraw/zinc/33/43/27/490334327.db2.gz PVUQWQHLYLFDDP-OAHLLOKOSA-N 2 1 370.457 1.442 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000448322350 490334442 /nfs/dbraw/zinc/33/44/42/490334442.db2.gz QWLCTJJNQCZHMK-AWEZNQCLSA-N 2 1 364.494 0.620 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534268566 490338553 /nfs/dbraw/zinc/33/85/53/490338553.db2.gz BWDLIBYBGMWAOO-IBGZPJMESA-N 2 1 357.502 0.315 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534268566 490338556 /nfs/dbraw/zinc/33/85/56/490338556.db2.gz BWDLIBYBGMWAOO-IBGZPJMESA-N 2 1 357.502 0.315 20 0 FCADMP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000534266574 490338641 /nfs/dbraw/zinc/33/86/41/490338641.db2.gz NEOYOJCKYXBMAY-IBGZPJMESA-N 2 1 357.502 0.762 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000534266574 490338645 /nfs/dbraw/zinc/33/86/45/490338645.db2.gz NEOYOJCKYXBMAY-IBGZPJMESA-N 2 1 357.502 0.762 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000534266574 490338648 /nfs/dbraw/zinc/33/86/48/490338648.db2.gz NEOYOJCKYXBMAY-IBGZPJMESA-N 2 1 357.502 0.762 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508635258 490343195 /nfs/dbraw/zinc/34/31/95/490343195.db2.gz XQMKTBJOQPBIGZ-FGTMMUONSA-N 2 1 354.539 0.874 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508635258 490343197 /nfs/dbraw/zinc/34/31/97/490343197.db2.gz XQMKTBJOQPBIGZ-FGTMMUONSA-N 2 1 354.539 0.874 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927746 490357351 /nfs/dbraw/zinc/35/73/51/490357351.db2.gz OMMZCKOAQLUKCD-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000483927746 490357357 /nfs/dbraw/zinc/35/73/57/490357357.db2.gz OMMZCKOAQLUKCD-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000483927746 490357362 /nfs/dbraw/zinc/35/73/62/490357362.db2.gz OMMZCKOAQLUKCD-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000422493618 490359000 /nfs/dbraw/zinc/35/90/00/490359000.db2.gz YRMXDGZULPSIBW-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000571652903 491321086 /nfs/dbraw/zinc/32/10/86/491321086.db2.gz BBEYMGJZLRZBKN-INIZCTEOSA-N 2 1 365.478 0.171 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000571652903 491321088 /nfs/dbraw/zinc/32/10/88/491321088.db2.gz BBEYMGJZLRZBKN-INIZCTEOSA-N 2 1 365.478 0.171 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953831 490371356 /nfs/dbraw/zinc/37/13/56/490371356.db2.gz DSRJYBNVGUKPLR-IRXDYDNUSA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953831 490371363 /nfs/dbraw/zinc/37/13/63/490371363.db2.gz DSRJYBNVGUKPLR-IRXDYDNUSA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953831 490371367 /nfs/dbraw/zinc/37/13/67/490371367.db2.gz DSRJYBNVGUKPLR-IRXDYDNUSA-N 2 1 350.507 0.943 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000522443409 490378918 /nfs/dbraw/zinc/37/89/18/490378918.db2.gz DUGOFBKWCHSLCS-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522443409 490378928 /nfs/dbraw/zinc/37/89/28/490378928.db2.gz DUGOFBKWCHSLCS-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000522443409 490378932 /nfs/dbraw/zinc/37/89/32/490378932.db2.gz DUGOFBKWCHSLCS-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc(C)n1 ZINC000422587469 490417688 /nfs/dbraw/zinc/41/76/88/490417688.db2.gz HZXFERQVEMTOLA-HNNXBMFYSA-N 2 1 362.474 0.618 20 0 FCADMP CC1[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000449820095 490429653 /nfs/dbraw/zinc/42/96/53/490429653.db2.gz UAZDKINKLGCIFI-LBTBCDHLSA-N 2 1 360.502 0.574 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534963089 490430047 /nfs/dbraw/zinc/43/00/47/490430047.db2.gz SMBJPFYFQZXDCA-MRXNPFEDSA-N 2 1 365.478 0.542 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000422628036 490432653 /nfs/dbraw/zinc/43/26/53/490432653.db2.gz RYHCLTRNJZIZDT-QQFBHYJXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000422628036 490432660 /nfs/dbraw/zinc/43/26/60/490432660.db2.gz RYHCLTRNJZIZDT-QQFBHYJXSA-N 2 1 368.522 0.279 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000509727066 490458072 /nfs/dbraw/zinc/45/80/72/490458072.db2.gz GYDKLSCTWDZWMX-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccc(F)cc1 ZINC000571778347 491328713 /nfs/dbraw/zinc/32/87/13/491328713.db2.gz JVFGESOPPMWSKQ-HOTGVXAUSA-N 2 1 363.437 0.211 20 0 FCADMP C[NH+]1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693094 490486366 /nfs/dbraw/zinc/48/63/66/490486366.db2.gz VDDVHAMBFNXAJB-NEPJUHHUSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2csc(NC(=O)[C@H]3CC[N@H+](C)C3)n2)C1 ZINC000523693094 490486369 /nfs/dbraw/zinc/48/63/69/490486369.db2.gz VDDVHAMBFNXAJB-NEPJUHHUSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2csc(NC(=O)[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC000523693094 490486376 /nfs/dbraw/zinc/48/63/76/490486376.db2.gz VDDVHAMBFNXAJB-NEPJUHHUSA-N 2 1 351.476 0.601 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993186 490487393 /nfs/dbraw/zinc/48/73/93/490487393.db2.gz GZNJBQOZSCQDOE-QFBILLFUSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993186 490487402 /nfs/dbraw/zinc/48/74/02/490487402.db2.gz GZNJBQOZSCQDOE-QFBILLFUSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000523915385 490503841 /nfs/dbraw/zinc/50/38/41/490503841.db2.gz BLEYWHKRGNIVCE-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394137 490510400 /nfs/dbraw/zinc/51/04/00/490510400.db2.gz OOLDISZJUHCXSH-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394145 490510614 /nfs/dbraw/zinc/51/06/14/490510614.db2.gz OOLDISZJUHCXSH-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423016242 490519045 /nfs/dbraw/zinc/51/90/45/490519045.db2.gz SLEITQQMKAQADM-UHFFFAOYSA-N 2 1 354.495 0.143 20 0 FCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025389 490522919 /nfs/dbraw/zinc/52/29/19/490522919.db2.gz LRBADIKGYDSGRS-QRQLOZEOSA-N 2 1 362.518 0.632 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCC[NH2+]CC3)c2)C1 ZINC000571864684 491333484 /nfs/dbraw/zinc/33/34/84/491333484.db2.gz GTKPFCAPIVXPNS-SFHVURJKSA-N 2 1 373.501 0.889 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000510800023 490541006 /nfs/dbraw/zinc/54/10/06/490541006.db2.gz VCDGLVYLGAALCV-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904969 491334856 /nfs/dbraw/zinc/33/48/56/491334856.db2.gz IIUSXUAXWCCRHK-QAPCUYQASA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904969 491334859 /nfs/dbraw/zinc/33/48/59/491334859.db2.gz IIUSXUAXWCCRHK-QAPCUYQASA-N 2 1 374.485 0.392 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000524617351 490547361 /nfs/dbraw/zinc/54/73/61/490547361.db2.gz MALRGHAHMKBCQF-HUUCEWRRSA-N 2 1 365.478 0.769 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000524617351 490547364 /nfs/dbraw/zinc/54/73/64/490547364.db2.gz MALRGHAHMKBCQF-HUUCEWRRSA-N 2 1 365.478 0.769 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[N@@H+]1CCc2sccc2C1 ZINC000564907778 491335356 /nfs/dbraw/zinc/33/53/56/491335356.db2.gz LBXMXOLHMBRIDT-CQSZACIVSA-N 2 1 350.488 0.481 20 0 FCADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069181 490550192 /nfs/dbraw/zinc/55/01/92/490550192.db2.gz XHTCUQXZZUPIEY-HNNXBMFYSA-N 2 1 371.441 0.390 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[N@H+]1CCc2sccc2C1 ZINC000564907778 491335359 /nfs/dbraw/zinc/33/53/59/491335359.db2.gz LBXMXOLHMBRIDT-CQSZACIVSA-N 2 1 350.488 0.481 20 0 FCADMP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000485689535 490553553 /nfs/dbraw/zinc/55/35/53/490553553.db2.gz TUCHKZROWGAHIQ-IRXDYDNUSA-N 2 1 365.478 0.139 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485800943 490558801 /nfs/dbraw/zinc/55/88/01/490558801.db2.gz WSHARRCGDABLCO-QLFBSQMISA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485800943 490558806 /nfs/dbraw/zinc/55/88/06/490558806.db2.gz WSHARRCGDABLCO-QLFBSQMISA-N 2 1 364.494 0.820 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000511265651 490574832 /nfs/dbraw/zinc/57/48/32/490574832.db2.gz BIJZCFVCKHGROH-LSDHHAIUSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000511265651 490574836 /nfs/dbraw/zinc/57/48/36/490574836.db2.gz BIJZCFVCKHGROH-LSDHHAIUSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@@H](C)C1 ZINC000511265651 490574842 /nfs/dbraw/zinc/57/48/42/490574842.db2.gz BIJZCFVCKHGROH-LSDHHAIUSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000511265651 490574844 /nfs/dbraw/zinc/57/48/44/490574844.db2.gz BIJZCFVCKHGROH-LSDHHAIUSA-N 2 1 352.479 0.916 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000486041066 490586466 /nfs/dbraw/zinc/58/64/66/490586466.db2.gz LXZNOQNRGZCEDT-JHNDHUHGSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000486041066 490586470 /nfs/dbraw/zinc/58/64/70/490586470.db2.gz LXZNOQNRGZCEDT-JHNDHUHGSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000486041066 490586476 /nfs/dbraw/zinc/58/64/76/490586476.db2.gz LXZNOQNRGZCEDT-JHNDHUHGSA-N 2 1 350.507 0.489 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000525297484 490593495 /nfs/dbraw/zinc/59/34/95/490593495.db2.gz GRHFYYYBLWPSML-SJORKVTESA-N 2 1 365.522 0.807 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374324 490600617 /nfs/dbraw/zinc/60/06/17/490600617.db2.gz BIKWYPDUUMNKNK-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374324 490600624 /nfs/dbraw/zinc/60/06/24/490600624.db2.gz BIKWYPDUUMNKNK-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374324 490600630 /nfs/dbraw/zinc/60/06/30/490600630.db2.gz BIKWYPDUUMNKNK-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000550004872 490618828 /nfs/dbraw/zinc/61/88/28/490618828.db2.gz YXZQVINAGJOJBC-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1CC(C)(C)O ZINC000550004872 490618840 /nfs/dbraw/zinc/61/88/40/490618840.db2.gz YXZQVINAGJOJBC-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1nncn1C ZINC000550008540 490619142 /nfs/dbraw/zinc/61/91/42/490619142.db2.gz BYITYVNULSVBHW-HNNXBMFYSA-N 2 1 352.483 0.206 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501610650 490623051 /nfs/dbraw/zinc/62/30/51/490623051.db2.gz FFOHCDOPIAMFLF-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536933451 490624988 /nfs/dbraw/zinc/62/49/88/490624988.db2.gz ZAWQRLUKCOHMRO-GJZGRUSLSA-N 2 1 370.494 0.422 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933452 490625107 /nfs/dbraw/zinc/62/51/07/490625107.db2.gz ZAWQRLUKCOHMRO-HUUCEWRRSA-N 2 1 370.494 0.422 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638725 490629584 /nfs/dbraw/zinc/62/95/84/490629584.db2.gz LGPKHBQMGHGKBE-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638725 490629590 /nfs/dbraw/zinc/62/95/90/490629590.db2.gz LGPKHBQMGHGKBE-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638725 490629595 /nfs/dbraw/zinc/62/95/95/490629595.db2.gz LGPKHBQMGHGKBE-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638722 490629750 /nfs/dbraw/zinc/62/97/50/490629750.db2.gz LGPKHBQMGHGKBE-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638722 490629757 /nfs/dbraw/zinc/62/97/57/490629757.db2.gz LGPKHBQMGHGKBE-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638722 490629763 /nfs/dbraw/zinc/62/97/63/490629763.db2.gz LGPKHBQMGHGKBE-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996059 491341480 /nfs/dbraw/zinc/34/14/80/491341480.db2.gz KVAMRTNQYQLRKE-CABCVRRESA-N 2 1 352.504 0.531 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000486461227 490632233 /nfs/dbraw/zinc/63/22/33/490632233.db2.gz ANQVBKUVWVYTKW-IRXDYDNUSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461227 490632237 /nfs/dbraw/zinc/63/22/37/490632237.db2.gz ANQVBKUVWVYTKW-IRXDYDNUSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461227 490632242 /nfs/dbraw/zinc/63/22/42/490632242.db2.gz ANQVBKUVWVYTKW-IRXDYDNUSA-N 2 1 367.538 0.911 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000550154049 490632475 /nfs/dbraw/zinc/63/24/75/490632475.db2.gz FOOGFKKJSPOJHL-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000550154049 490632484 /nfs/dbraw/zinc/63/24/84/490632484.db2.gz FOOGFKKJSPOJHL-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000486504426 490641464 /nfs/dbraw/zinc/64/14/64/490641464.db2.gz DHTYZDYRWDWHPI-MRXNPFEDSA-N 2 1 353.511 0.521 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000486504426 490641470 /nfs/dbraw/zinc/64/14/70/490641470.db2.gz DHTYZDYRWDWHPI-MRXNPFEDSA-N 2 1 353.511 0.521 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000486507418 490641484 /nfs/dbraw/zinc/64/14/84/490641484.db2.gz KCHXJFSKXGLRKP-KRWDZBQOSA-N 2 1 367.538 0.911 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550269703 490649625 /nfs/dbraw/zinc/64/96/25/490649625.db2.gz PZDJDVVXJFQRHT-UHFFFAOYSA-N 2 1 354.495 0.206 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000502019825 490667973 /nfs/dbraw/zinc/66/79/73/490667973.db2.gz SULGSCFRAHIEBR-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550584461 490678437 /nfs/dbraw/zinc/67/84/37/490678437.db2.gz YMXTUZGOAGMJDY-HZPDHXFCSA-N 2 1 370.538 0.791 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)Cc2ccccc2C1 ZINC000556996451 491347411 /nfs/dbraw/zinc/34/74/11/491347411.db2.gz MHZZXVLZPUFMFT-KRWDZBQOSA-N 2 1 370.497 0.555 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000512819732 490701176 /nfs/dbraw/zinc/70/11/76/490701176.db2.gz GXVORJYVHQETCO-QGZVFWFLSA-N 2 1 355.527 0.112 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044922 490706909 /nfs/dbraw/zinc/70/69/09/490706909.db2.gz LNSDWSYXWUTVCA-MJBXVCDLSA-N 2 1 356.467 0.160 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044922 490706910 /nfs/dbraw/zinc/70/69/10/490706910.db2.gz LNSDWSYXWUTVCA-MJBXVCDLSA-N 2 1 356.467 0.160 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502750545 490719665 /nfs/dbraw/zinc/71/96/65/490719665.db2.gz SKKHGPIJCDONQC-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC[N@@H+]1CCOC ZINC000557018317 491349783 /nfs/dbraw/zinc/34/97/83/491349783.db2.gz XIAHNFPWDDXMHA-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC[N@H+]1CCOC ZINC000557018317 491349785 /nfs/dbraw/zinc/34/97/85/491349785.db2.gz XIAHNFPWDDXMHA-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000487674001 490724365 /nfs/dbraw/zinc/72/43/65/490724365.db2.gz JONJPXCRBRUSOM-MRXNPFEDSA-N 2 1 374.489 0.561 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000487674001 490724368 /nfs/dbraw/zinc/72/43/68/490724368.db2.gz JONJPXCRBRUSOM-MRXNPFEDSA-N 2 1 374.489 0.561 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000557057695 491350802 /nfs/dbraw/zinc/35/08/02/491350802.db2.gz KHMPMZGZGHJVNY-UHFFFAOYSA-N 2 1 368.522 0.138 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527662373 490752627 /nfs/dbraw/zinc/75/26/27/490752627.db2.gz XVBPRNKLSKEJSW-INIZCTEOSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527662373 490752629 /nfs/dbraw/zinc/75/26/29/490752629.db2.gz XVBPRNKLSKEJSW-INIZCTEOSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000514232273 490767985 /nfs/dbraw/zinc/76/79/85/490767985.db2.gz JSFVVBZYCXQWOB-CQSZACIVSA-N 2 1 368.503 0.873 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1 ZINC000503664005 490769514 /nfs/dbraw/zinc/76/95/14/490769514.db2.gz UAXOCPBXZYOQBZ-UHFFFAOYSA-N 2 1 361.446 0.337 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000488676068 490771423 /nfs/dbraw/zinc/77/14/23/490771423.db2.gz POOQQPFEGIXBLM-MRXNPFEDSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156127 491356560 /nfs/dbraw/zinc/35/65/60/491356560.db2.gz IEELOITYNQCWHS-DZGCQCFKSA-N 2 1 368.503 0.194 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000515220037 490813977 /nfs/dbraw/zinc/81/39/77/490813977.db2.gz NQMNUQYIGPMKNE-KRWDZBQOSA-N 2 1 368.522 0.596 20 0 FCADMP C[N@H+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000557162633 491357588 /nfs/dbraw/zinc/35/75/88/491357588.db2.gz OMLSVLHAAFMSIA-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000557162633 491357589 /nfs/dbraw/zinc/35/75/89/491357589.db2.gz OMLSVLHAAFMSIA-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000515292778 490816208 /nfs/dbraw/zinc/81/62/08/490816208.db2.gz BELHBJRMJRQDHQ-UHFFFAOYSA-N 2 1 355.527 0.914 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000515292778 490816211 /nfs/dbraw/zinc/81/62/11/490816211.db2.gz BELHBJRMJRQDHQ-UHFFFAOYSA-N 2 1 355.527 0.914 20 0 FCADMP CC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000540359920 490818966 /nfs/dbraw/zinc/81/89/66/490818966.db2.gz XMPIUVDWCBEHRW-UHFFFAOYSA-N 2 1 360.524 0.102 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515673285 490835958 /nfs/dbraw/zinc/83/59/58/490835958.db2.gz SWRNKXRCKRQUGH-OWCLPIDISA-N 2 1 351.495 0.450 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000529294471 490848015 /nfs/dbraw/zinc/84/80/15/490848015.db2.gz VZGTVZZXURVHTA-MRXNPFEDSA-N 2 1 353.511 0.616 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529293093 490848323 /nfs/dbraw/zinc/84/83/23/490848323.db2.gz NFPAQFYVOSKTPV-OAHLLOKOSA-N 2 1 351.495 0.561 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529323764 490851919 /nfs/dbraw/zinc/85/19/19/490851919.db2.gz FBPGCLUDAKLFIJ-KRWDZBQOSA-N 2 1 354.495 0.509 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000516166736 490853874 /nfs/dbraw/zinc/85/38/74/490853874.db2.gz AMFPJIYVZFCCIK-SFHVURJKSA-N 2 1 373.501 0.725 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215659 490857347 /nfs/dbraw/zinc/85/73/47/490857347.db2.gz AYSUDEZZVXIKTE-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000516215659 490857349 /nfs/dbraw/zinc/85/73/49/490857349.db2.gz AYSUDEZZVXIKTE-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000516213366 490857475 /nfs/dbraw/zinc/85/74/75/490857475.db2.gz RLHDPTJTFIVDRN-WBVHZDCISA-N 2 1 371.485 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000516213366 490857478 /nfs/dbraw/zinc/85/74/78/490857478.db2.gz RLHDPTJTFIVDRN-WBVHZDCISA-N 2 1 371.485 0.638 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516869107 490881997 /nfs/dbraw/zinc/88/19/97/490881997.db2.gz ACNAKJANKZPXFL-AWEZNQCLSA-N 3 1 360.462 0.030 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(C)(CO)CO)CC2)CC1 ZINC000516876334 490882948 /nfs/dbraw/zinc/88/29/48/490882948.db2.gz UPIQKMXXGTZROD-UHFFFAOYSA-N 2 1 355.523 0.632 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000516960114 490887566 /nfs/dbraw/zinc/88/75/66/490887566.db2.gz SHCSJNVLSWDOKY-HZPDHXFCSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000516960114 490887569 /nfs/dbraw/zinc/88/75/69/490887569.db2.gz SHCSJNVLSWDOKY-HZPDHXFCSA-N 2 1 358.486 0.747 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517573272 490913054 /nfs/dbraw/zinc/91/30/54/490913054.db2.gz WPMDWOVKJWDDEF-FGTMMUONSA-N 2 1 370.538 0.878 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000517617778 490914535 /nfs/dbraw/zinc/91/45/35/490914535.db2.gz PLJZHTQGKFXRGQ-UHFFFAOYSA-N 2 1 353.511 0.522 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000517703899 490917407 /nfs/dbraw/zinc/91/74/07/490917407.db2.gz VLIRTWVLKUAKMK-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000517703899 490917409 /nfs/dbraw/zinc/91/74/09/490917409.db2.gz VLIRTWVLKUAKMK-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703899 490917411 /nfs/dbraw/zinc/91/74/11/490917411.db2.gz VLIRTWVLKUAKMK-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966316 490926838 /nfs/dbraw/zinc/92/68/38/490926838.db2.gz VXZGMGHKEJAHLC-QZTJIDSGSA-N 2 1 371.485 0.388 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000517998526 490927475 /nfs/dbraw/zinc/92/74/75/490927475.db2.gz YGNHREFEOARGIE-BRWVUGGUSA-N 2 1 366.506 0.081 20 0 FCADMP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518399525 490939980 /nfs/dbraw/zinc/93/99/80/490939980.db2.gz VWAQFAOGBNUUDW-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)CN1C[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374180 491365739 /nfs/dbraw/zinc/36/57/39/491365739.db2.gz IJUYXVXMWVMMJZ-CVEARBPZSA-N 2 1 351.495 0.262 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000518838896 490953716 /nfs/dbraw/zinc/95/37/16/490953716.db2.gz VYUXPMFSEQKIKH-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000531584009 490965591 /nfs/dbraw/zinc/96/55/91/490965591.db2.gz FFWVXQJHNAZVPW-KRWDZBQOSA-N 2 1 369.579 0.845 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C(=O)NCC[C@H]3C)CC2)CC1 ZINC000519649367 490982013 /nfs/dbraw/zinc/98/20/13/490982013.db2.gz MMINNEWLGCLBAM-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)CC1 ZINC000532343159 490991438 /nfs/dbraw/zinc/99/14/38/490991438.db2.gz GHRXANXEVBJZGD-QZTJIDSGSA-N 2 1 351.539 0.249 20 0 FCADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)n1C ZINC000602008145 491957035 /nfs/dbraw/zinc/95/70/35/491957035.db2.gz QCPQLZYPKDTXMM-UHFFFAOYSA-N 2 1 350.463 0.844 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000569518697 491165864 /nfs/dbraw/zinc/16/58/64/491165864.db2.gz JEORWXUXUSMFSQ-MQVJKMGUSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000569518697 491165865 /nfs/dbraw/zinc/16/58/65/491165865.db2.gz JEORWXUXUSMFSQ-MQVJKMGUSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000569518697 491165867 /nfs/dbraw/zinc/16/58/67/491165867.db2.gz JEORWXUXUSMFSQ-MQVJKMGUSA-N 2 1 353.511 0.709 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC000569576995 491170350 /nfs/dbraw/zinc/17/03/50/491170350.db2.gz UEEWKJWQQKRYHI-NUEKZKHPSA-N 2 1 361.442 0.970 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC000569576995 491170354 /nfs/dbraw/zinc/17/03/54/491170354.db2.gz UEEWKJWQQKRYHI-NUEKZKHPSA-N 2 1 361.442 0.970 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccc(F)cc1 ZINC000565411631 491374882 /nfs/dbraw/zinc/37/48/82/491374882.db2.gz YMQFZNHNZMTDIV-GOSISDBHSA-N 2 1 363.481 0.947 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@@H]2C)CC1=O ZINC000565439905 491377073 /nfs/dbraw/zinc/37/70/73/491377073.db2.gz XIJTVIAXRIIDFI-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1=O ZINC000565439905 491377074 /nfs/dbraw/zinc/37/70/74/491377074.db2.gz XIJTVIAXRIIDFI-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1=O ZINC000565439905 491377075 /nfs/dbraw/zinc/37/70/75/491377075.db2.gz XIJTVIAXRIIDFI-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000572554969 491378278 /nfs/dbraw/zinc/37/82/78/491378278.db2.gz LTAYSQACVMFXKQ-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000557497444 491378816 /nfs/dbraw/zinc/37/88/16/491378816.db2.gz KPLBXSLSUJUZEX-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000572603166 491380848 /nfs/dbraw/zinc/38/08/48/491380848.db2.gz XWQJRLDREBSFFY-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000572603165 491380890 /nfs/dbraw/zinc/38/08/90/491380890.db2.gz XWQJRLDREBSFFY-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619455 491381935 /nfs/dbraw/zinc/38/19/35/491381935.db2.gz PSCHLZLJNBNGLB-IAGOWNOFSA-N 2 1 365.522 0.572 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)CC(O)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000572634520 491382964 /nfs/dbraw/zinc/38/29/64/491382964.db2.gz VMDAMNUECBXNQP-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP COc1cnc(NC[C@@H]2CCC[N@@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573478 491384276 /nfs/dbraw/zinc/38/42/76/491384276.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000557573478 491384277 /nfs/dbraw/zinc/38/42/77/491384277.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000557573478 491384278 /nfs/dbraw/zinc/38/42/78/491384278.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 2 1 362.522 0.836 20 0 FCADMP [NH3+]C[C@H]1CCC[C@@H]1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000565651424 491391161 /nfs/dbraw/zinc/39/11/61/491391161.db2.gz DIVXTTRFNNFYEO-CVEARBPZSA-N 3 1 367.519 0.250 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000565668537 491392520 /nfs/dbraw/zinc/39/25/20/491392520.db2.gz BPBCXQKIKSZAOI-OWCLPIDISA-N 2 1 351.495 0.308 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CCCC2)CCCO1 ZINC000557744011 491395851 /nfs/dbraw/zinc/39/58/51/491395851.db2.gz YCUGSWGQFITSOK-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCCO1 ZINC000557744011 491395855 /nfs/dbraw/zinc/39/58/55/491395855.db2.gz YCUGSWGQFITSOK-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCCO1 ZINC000557744011 491395857 /nfs/dbraw/zinc/39/58/57/491395857.db2.gz YCUGSWGQFITSOK-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000572832577 491396164 /nfs/dbraw/zinc/39/61/64/491396164.db2.gz KSPXZGSHQJDNQN-HZPDHXFCSA-N 2 1 357.458 0.107 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000572843231 491397400 /nfs/dbraw/zinc/39/74/00/491397400.db2.gz IHTNWJHRTUDBPI-ARFHVFGLSA-N 2 1 359.474 0.599 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572843231 491397402 /nfs/dbraw/zinc/39/74/02/491397402.db2.gz IHTNWJHRTUDBPI-ARFHVFGLSA-N 2 1 359.474 0.599 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000572907295 491401126 /nfs/dbraw/zinc/40/11/26/491401126.db2.gz JSCCGAQZRIJNPM-GOSISDBHSA-N 2 1 370.497 0.726 20 0 FCADMP O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000572907295 491401128 /nfs/dbraw/zinc/40/11/28/491401128.db2.gz JSCCGAQZRIJNPM-GOSISDBHSA-N 2 1 370.497 0.726 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000558007566 491408342 /nfs/dbraw/zinc/40/83/42/491408342.db2.gz VMNSCNPNWMLDAA-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000558007566 491408343 /nfs/dbraw/zinc/40/83/43/491408343.db2.gz VMNSCNPNWMLDAA-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000558007566 491408345 /nfs/dbraw/zinc/40/83/45/491408345.db2.gz VMNSCNPNWMLDAA-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)[C@H]1C ZINC000573075272 491410842 /nfs/dbraw/zinc/41/08/42/491410842.db2.gz UIONKRGDZUIQCU-ILXRZTDVSA-N 2 1 371.489 0.988 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000558059686 491410933 /nfs/dbraw/zinc/41/09/33/491410933.db2.gz UEVZAGRKCRQIQJ-ZIAGYGMSSA-N 2 1 364.494 0.434 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000558059686 491410936 /nfs/dbraw/zinc/41/09/36/491410936.db2.gz UEVZAGRKCRQIQJ-ZIAGYGMSSA-N 2 1 364.494 0.434 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216634 491420565 /nfs/dbraw/zinc/42/05/65/491420565.db2.gz JBHWVDDGICEBQE-STQMWFEESA-N 2 1 366.428 0.976 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216634 491420566 /nfs/dbraw/zinc/42/05/66/491420566.db2.gz JBHWVDDGICEBQE-STQMWFEESA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216634 491420568 /nfs/dbraw/zinc/42/05/68/491420568.db2.gz JBHWVDDGICEBQE-STQMWFEESA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216634 491420569 /nfs/dbraw/zinc/42/05/69/491420569.db2.gz JBHWVDDGICEBQE-STQMWFEESA-N 2 1 366.428 0.976 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000566157388 491421605 /nfs/dbraw/zinc/42/16/05/491421605.db2.gz CQQCMFVSYNUISM-HIFRSBDPSA-N 2 1 362.430 0.213 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000566157388 491421608 /nfs/dbraw/zinc/42/16/08/491421608.db2.gz CQQCMFVSYNUISM-HIFRSBDPSA-N 2 1 362.430 0.213 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529762 493342143 /nfs/dbraw/zinc/34/21/43/493342143.db2.gz BUHMDSONRRLFOY-RBUKOAKNSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529762 493342145 /nfs/dbraw/zinc/34/21/45/493342145.db2.gz BUHMDSONRRLFOY-RBUKOAKNSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566199448 491424940 /nfs/dbraw/zinc/42/49/40/491424940.db2.gz WYRPVFZFJUZIGB-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000573309338 491425325 /nfs/dbraw/zinc/42/53/25/491425325.db2.gz FBKOGFXIGSHQAC-SFHVURJKSA-N 2 1 374.485 0.332 20 0 FCADMP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566244181 491430100 /nfs/dbraw/zinc/43/01/00/491430100.db2.gz DGFVSIMQVFPODD-GJZGRUSLSA-N 2 1 357.520 0.391 20 0 FCADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566244181 491430101 /nfs/dbraw/zinc/43/01/01/491430101.db2.gz DGFVSIMQVFPODD-GJZGRUSLSA-N 2 1 357.520 0.391 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000566244928 491430198 /nfs/dbraw/zinc/43/01/98/491430198.db2.gz COLXYVPXLUZJJY-KBPBESRZSA-N 2 1 366.487 0.594 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000566396679 491440955 /nfs/dbraw/zinc/44/09/55/491440955.db2.gz FDYSPMWLZIVLNH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000566396679 491440956 /nfs/dbraw/zinc/44/09/56/491440956.db2.gz FDYSPMWLZIVLNH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000566396679 491440959 /nfs/dbraw/zinc/44/09/59/491440959.db2.gz FDYSPMWLZIVLNH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1cc(N2CCC(NC(=O)c3cn(CCCC[NH3+])nn3)CC2)nc(C)[nH+]1 ZINC000573680661 491448013 /nfs/dbraw/zinc/44/80/13/491448013.db2.gz AVNQYPKHGUOUKS-UHFFFAOYSA-N 2 1 372.477 0.823 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520097 491451467 /nfs/dbraw/zinc/45/14/67/491451467.db2.gz VJUUJANIIISRIL-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000566520097 491451470 /nfs/dbraw/zinc/45/14/70/491451470.db2.gz VJUUJANIIISRIL-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000566520097 491451472 /nfs/dbraw/zinc/45/14/72/491451472.db2.gz VJUUJANIIISRIL-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000660335858 493344504 /nfs/dbraw/zinc/34/45/04/493344504.db2.gz JCKWUXFMBRPLHE-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000660335858 493344505 /nfs/dbraw/zinc/34/45/05/493344505.db2.gz JCKWUXFMBRPLHE-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000566752080 491464959 /nfs/dbraw/zinc/46/49/59/491464959.db2.gz ADCOYRQBDKHHDI-ULQDDVLXSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000559361260 491467271 /nfs/dbraw/zinc/46/72/71/491467271.db2.gz KIOPHHGMABIKRU-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCO1 ZINC000573994735 491467949 /nfs/dbraw/zinc/46/79/49/491467949.db2.gz YZTGSAFNPDRJLN-KRWDZBQOSA-N 3 1 357.543 0.622 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000559369526 491468159 /nfs/dbraw/zinc/46/81/59/491468159.db2.gz BZXLPUKBFLVHNQ-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000559412462 491471027 /nfs/dbraw/zinc/47/10/27/491471027.db2.gz SIEHDWKSWKCENX-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000559412462 491471028 /nfs/dbraw/zinc/47/10/28/491471028.db2.gz SIEHDWKSWKCENX-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000559412460 491471091 /nfs/dbraw/zinc/47/10/91/491471091.db2.gz SIEHDWKSWKCENX-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000559412460 491471092 /nfs/dbraw/zinc/47/10/92/491471092.db2.gz SIEHDWKSWKCENX-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000559415458 491471116 /nfs/dbraw/zinc/47/11/16/491471116.db2.gz VXKRNHVSCSCWFH-QYZOEREBSA-N 2 1 372.513 0.828 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000559442293 491473588 /nfs/dbraw/zinc/47/35/88/491473588.db2.gz SBPGIWCGVRFZLC-HZPDHXFCSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000559442293 491473590 /nfs/dbraw/zinc/47/35/90/491473590.db2.gz SBPGIWCGVRFZLC-HZPDHXFCSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000559442293 491473592 /nfs/dbraw/zinc/47/35/92/491473592.db2.gz SBPGIWCGVRFZLC-HZPDHXFCSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CC1 ZINC000559462233 491475297 /nfs/dbraw/zinc/47/52/97/491475297.db2.gz PMBUWIZZENBBSW-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)CC1 ZINC000559462233 491475298 /nfs/dbraw/zinc/47/52/98/491475298.db2.gz PMBUWIZZENBBSW-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574179960 491479520 /nfs/dbraw/zinc/47/95/20/491479520.db2.gz AIDAUNHAHAPEOM-OLMMMNRUSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000574191065 491480091 /nfs/dbraw/zinc/48/00/91/491480091.db2.gz ATFRELAOSCCBHX-PBWTXFEYSA-N 2 1 370.497 0.786 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567163901 491489590 /nfs/dbraw/zinc/48/95/90/491489590.db2.gz GOHASUCKTAXXHU-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339807 491490396 /nfs/dbraw/zinc/49/03/96/491490396.db2.gz VYKHAWDRZRPJGL-PXNSSMCTSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000574339807 491490398 /nfs/dbraw/zinc/49/03/98/491490398.db2.gz VYKHAWDRZRPJGL-PXNSSMCTSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000574339807 491490400 /nfs/dbraw/zinc/49/04/00/491490400.db2.gz VYKHAWDRZRPJGL-PXNSSMCTSA-N 2 1 374.485 0.886 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339809 491490465 /nfs/dbraw/zinc/49/04/65/491490465.db2.gz VYKHAWDRZRPJGL-XLIONFOSSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000574339809 491490467 /nfs/dbraw/zinc/49/04/67/491490467.db2.gz VYKHAWDRZRPJGL-XLIONFOSSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000574339809 491490468 /nfs/dbraw/zinc/49/04/68/491490468.db2.gz VYKHAWDRZRPJGL-XLIONFOSSA-N 2 1 374.485 0.886 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567387045 491503573 /nfs/dbraw/zinc/50/35/73/491503573.db2.gz ZBVBQPYFKZUDEK-LSDHHAIUSA-N 2 1 353.488 0.857 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567387045 491503576 /nfs/dbraw/zinc/50/35/76/491503576.db2.gz ZBVBQPYFKZUDEK-LSDHHAIUSA-N 2 1 353.488 0.857 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000559866873 491506228 /nfs/dbraw/zinc/50/62/28/491506228.db2.gz GDSVPDMMPKYRNT-KDOFPFPSSA-N 2 1 370.563 0.777 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567455977 491507475 /nfs/dbraw/zinc/50/74/75/491507475.db2.gz GCQNTLMASRGSFC-BMGDILEWSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567455977 491507477 /nfs/dbraw/zinc/50/74/77/491507477.db2.gz GCQNTLMASRGSFC-BMGDILEWSA-N 2 1 374.485 0.246 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000567479524 491508494 /nfs/dbraw/zinc/50/84/94/491508494.db2.gz XZKFPJGBIOYVMK-ZWKOTPCHSA-N 2 1 373.501 0.548 20 0 FCADMP C[C@H](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488051 491509468 /nfs/dbraw/zinc/50/94/68/491509468.db2.gz DNCJJRASMHPVFF-KBAYOESNSA-N 2 1 373.501 0.850 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000560015407 491515014 /nfs/dbraw/zinc/51/50/14/491515014.db2.gz GQEBOOZAIDRSDR-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741437 491516947 /nfs/dbraw/zinc/51/69/47/491516947.db2.gz HBWJVTXNALWGAI-DLBZAZTESA-N 2 1 353.511 0.032 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000567692542 491523260 /nfs/dbraw/zinc/52/32/60/491523260.db2.gz WMJPLUKRKFKDAI-MRXNPFEDSA-N 2 1 353.438 0.457 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038292 491535385 /nfs/dbraw/zinc/53/53/85/491535385.db2.gz LTEHPTVZIYHRGJ-STQMWFEESA-N 2 1 351.417 0.558 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000575202758 491545329 /nfs/dbraw/zinc/54/53/29/491545329.db2.gz FWRKNILXIXGNLE-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCCO1 ZINC000575198093 491545547 /nfs/dbraw/zinc/54/55/47/491545547.db2.gz LZKMGPVWNFGSIG-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)CCCO1 ZINC000575198093 491545549 /nfs/dbraw/zinc/54/55/49/491545549.db2.gz LZKMGPVWNFGSIG-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)CCCO1 ZINC000575198093 491545551 /nfs/dbraw/zinc/54/55/51/491545551.db2.gz LZKMGPVWNFGSIG-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CCCO1 ZINC000575476917 491555238 /nfs/dbraw/zinc/55/52/38/491555238.db2.gz MJLUMXHSYBDLLK-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887745 491562592 /nfs/dbraw/zinc/56/25/92/491562592.db2.gz WODDRTDRMVPGRF-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887745 491562594 /nfs/dbraw/zinc/56/25/94/491562594.db2.gz WODDRTDRMVPGRF-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NC3C[NH2+]C3)c2)CC1 ZINC000575970857 491573088 /nfs/dbraw/zinc/57/30/88/491573088.db2.gz OWJPFUXXVPAVMI-UHFFFAOYSA-N 2 1 367.475 0.106 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NC3C[NH2+]C3)c2)CC1 ZINC000575970857 491573091 /nfs/dbraw/zinc/57/30/91/491573091.db2.gz OWJPFUXXVPAVMI-UHFFFAOYSA-N 2 1 367.475 0.106 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000568420334 491576210 /nfs/dbraw/zinc/57/62/10/491576210.db2.gz FSRIZJSRCLCAIG-KRWDZBQOSA-N 2 1 368.522 0.308 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136140 491577937 /nfs/dbraw/zinc/57/79/37/491577937.db2.gz AUKQWAQOOXONED-BBWFWOEESA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000568489203 491580115 /nfs/dbraw/zinc/58/01/15/491580115.db2.gz IGYLKMBWYOCAQO-QGZVFWFLSA-N 2 1 359.474 0.611 20 0 FCADMP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561188101 491581315 /nfs/dbraw/zinc/58/13/15/491581315.db2.gz ZKANEOKPGGEVPW-AEFFLSMTSA-N 2 1 373.501 0.628 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203901 491582442 /nfs/dbraw/zinc/58/24/42/491582442.db2.gz UQYUGBHSGOXGTC-QGZVFWFLSA-N 2 1 373.501 0.724 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000561239514 491587634 /nfs/dbraw/zinc/58/76/34/491587634.db2.gz FBARSMXYSYUQFW-ZIAGYGMSSA-N 2 1 354.495 0.106 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000577171769 491597932 /nfs/dbraw/zinc/59/79/32/491597932.db2.gz GJRYXCHQNMXIDS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000576293249 491602411 /nfs/dbraw/zinc/60/24/11/491602411.db2.gz NXJBPPATVIQWIU-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000577218838 491604186 /nfs/dbraw/zinc/60/41/86/491604186.db2.gz LAIOKZGSKAJVJF-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238521 491605584 /nfs/dbraw/zinc/60/55/84/491605584.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000577238521 491605586 /nfs/dbraw/zinc/60/55/86/491605586.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000577238521 491605590 /nfs/dbraw/zinc/60/55/90/491605590.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238521 491605592 /nfs/dbraw/zinc/60/55/92/491605592.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238521 491605595 /nfs/dbraw/zinc/60/55/95/491605595.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000561423530 491607326 /nfs/dbraw/zinc/60/73/26/491607326.db2.gz KMBUKUQNXJIUJI-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000561423530 491607327 /nfs/dbraw/zinc/60/73/27/491607327.db2.gz KMBUKUQNXJIUJI-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000561423530 491607329 /nfs/dbraw/zinc/60/73/29/491607329.db2.gz KMBUKUQNXJIUJI-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000561423530 491607330 /nfs/dbraw/zinc/60/73/30/491607330.db2.gz KMBUKUQNXJIUJI-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000561426466 491608001 /nfs/dbraw/zinc/60/80/01/491608001.db2.gz STGPRSNSMXGJCP-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000561426466 491608004 /nfs/dbraw/zinc/60/80/04/491608004.db2.gz STGPRSNSMXGJCP-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000561439370 491608870 /nfs/dbraw/zinc/60/88/70/491608870.db2.gz QDXBARZXMADITA-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000577359772 491614425 /nfs/dbraw/zinc/61/44/25/491614425.db2.gz XQGOTDWEEIYZOS-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000577359771 491614567 /nfs/dbraw/zinc/61/45/67/491614567.db2.gz XQGOTDWEEIYZOS-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000577395270 491618852 /nfs/dbraw/zinc/61/88/52/491618852.db2.gz JKSGQARUUAHWCL-ZIAGYGMSSA-N 2 1 352.504 0.677 20 0 FCADMP CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000577475289 491624481 /nfs/dbraw/zinc/62/44/81/491624481.db2.gz LCOKTOAMEJFRCI-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000577471583 491624527 /nfs/dbraw/zinc/62/45/27/491624527.db2.gz HWZMFRHIIBIQKA-GOEBONIOSA-N 2 1 364.490 0.871 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000561677334 491624833 /nfs/dbraw/zinc/62/48/33/491624833.db2.gz VQZILEQNDMPMLD-MRXNPFEDSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000576599936 491628654 /nfs/dbraw/zinc/62/86/54/491628654.db2.gz QATSXGNYXZBCOP-SJLPKXTDSA-N 2 1 360.502 0.734 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)CC1 ZINC000561792260 491630842 /nfs/dbraw/zinc/63/08/42/491630842.db2.gz DMONJDHGMMXFSC-DZJNRPSUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620524 491637282 /nfs/dbraw/zinc/63/72/82/491637282.db2.gz QMQLTJHLECXQRA-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000577620524 491637285 /nfs/dbraw/zinc/63/72/85/491637285.db2.gz QMQLTJHLECXQRA-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000577620524 491637287 /nfs/dbraw/zinc/63/72/87/491637287.db2.gz QMQLTJHLECXQRA-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1=CC[NH+](C)CC1 ZINC000569171998 491639685 /nfs/dbraw/zinc/63/96/85/491639685.db2.gz NVEMWTAYGBOYNV-HNNXBMFYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)C1=CC[N@H+](C)CC1 ZINC000569171998 491639687 /nfs/dbraw/zinc/63/96/87/491639687.db2.gz NVEMWTAYGBOYNV-HNNXBMFYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000569171998 491639690 /nfs/dbraw/zinc/63/96/90/491639690.db2.gz NVEMWTAYGBOYNV-HNNXBMFYSA-N 2 1 366.506 0.058 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652021 491640306 /nfs/dbraw/zinc/64/03/06/491640306.db2.gz YYXVDGPLDJYKDP-ZACQAIPSSA-N 2 1 360.433 0.561 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652021 491640308 /nfs/dbraw/zinc/64/03/08/491640308.db2.gz YYXVDGPLDJYKDP-ZACQAIPSSA-N 2 1 360.433 0.561 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569216068 491642570 /nfs/dbraw/zinc/64/25/70/491642570.db2.gz PHVACGQNKAFUCX-APWZRJJASA-N 2 1 350.507 0.825 20 0 FCADMP COc1ccc(CN2CC[NH+](CCOCC[NH3+])CC2)c(OC)c1OC ZINC000576826193 491648391 /nfs/dbraw/zinc/64/83/91/491648391.db2.gz IHRMCDJYXKDCPC-UHFFFAOYSA-N 2 1 353.463 0.805 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)CC1 ZINC000576847844 491649775 /nfs/dbraw/zinc/64/97/75/491649775.db2.gz YGLYAJXQEAETRC-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411428 491659898 /nfs/dbraw/zinc/65/98/98/491659898.db2.gz IEJLSNPGIROKAE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000569411428 491659901 /nfs/dbraw/zinc/65/99/01/491659901.db2.gz IEJLSNPGIROKAE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000569411428 491659904 /nfs/dbraw/zinc/65/99/04/491659904.db2.gz IEJLSNPGIROKAE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000576957111 491660428 /nfs/dbraw/zinc/66/04/28/491660428.db2.gz KDBXFNLRPQYWFY-MRXNPFEDSA-N 2 1 364.490 0.446 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000562236889 491661528 /nfs/dbraw/zinc/66/15/28/491661528.db2.gz RBHNRHTWRMYVIX-HNNXBMFYSA-N 2 1 352.479 0.676 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000562236889 491661531 /nfs/dbraw/zinc/66/15/31/491661531.db2.gz RBHNRHTWRMYVIX-HNNXBMFYSA-N 2 1 352.479 0.676 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000569444667 491661926 /nfs/dbraw/zinc/66/19/26/491661926.db2.gz CFMDPHUGVNUOQV-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000569444667 491661929 /nfs/dbraw/zinc/66/19/29/491661929.db2.gz CFMDPHUGVNUOQV-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000578062311 491668890 /nfs/dbraw/zinc/66/88/90/491668890.db2.gz SEYDTAAQXACTCM-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000578062311 491668891 /nfs/dbraw/zinc/66/88/91/491668891.db2.gz SEYDTAAQXACTCM-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000578135030 491670705 /nfs/dbraw/zinc/67/07/05/491670705.db2.gz OCWSMVPUFNTORX-KRWDZBQOSA-N 3 1 363.510 0.363 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000578135030 491670706 /nfs/dbraw/zinc/67/07/06/491670706.db2.gz OCWSMVPUFNTORX-KRWDZBQOSA-N 3 1 363.510 0.363 20 0 FCADMP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000578193548 491671922 /nfs/dbraw/zinc/67/19/22/491671922.db2.gz GNVXSRQQDVVFBC-INIZCTEOSA-N 2 1 367.515 0.946 20 0 FCADMP Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000578193548 491671923 /nfs/dbraw/zinc/67/19/23/491671923.db2.gz GNVXSRQQDVVFBC-INIZCTEOSA-N 2 1 367.515 0.946 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313963 491674449 /nfs/dbraw/zinc/67/44/49/491674449.db2.gz GXTHYDAFZRFJAI-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000578645095 491681679 /nfs/dbraw/zinc/68/16/79/491681679.db2.gz XOJVTNHPZIVZHD-IBGZPJMESA-N 2 1 359.518 0.850 20 0 FCADMP C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000578745404 491683394 /nfs/dbraw/zinc/68/33/94/491683394.db2.gz RZPZTIYCQWZCKE-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP CNC(=O)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000579097569 491690903 /nfs/dbraw/zinc/69/09/03/491690903.db2.gz OWNHBZHLBDESRE-INIZCTEOSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000579097569 491690905 /nfs/dbraw/zinc/69/09/05/491690905.db2.gz OWNHBZHLBDESRE-INIZCTEOSA-N 2 1 351.495 0.513 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000579270089 491694355 /nfs/dbraw/zinc/69/43/55/491694355.db2.gz OKJRATFNBMJBFZ-HNNXBMFYSA-N 2 1 356.511 0.402 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@@H]1C ZINC000579364523 491696477 /nfs/dbraw/zinc/69/64/77/491696477.db2.gz LURBQKVNLHYJDF-GJZGRUSLSA-N 2 1 361.490 0.819 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000579392503 491697019 /nfs/dbraw/zinc/69/70/19/491697019.db2.gz CSLMTZQDJMBMTO-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579690632 491703031 /nfs/dbraw/zinc/70/30/31/491703031.db2.gz VAJGUWAACFYKSM-LSDHHAIUSA-N 2 1 351.495 0.370 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822368 491706088 /nfs/dbraw/zinc/70/60/88/491706088.db2.gz BMOMZYBHRAFHJS-PXNSSMCTSA-N 3 1 358.486 0.996 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000580125459 491718622 /nfs/dbraw/zinc/71/86/22/491718622.db2.gz KWUZZPCOGZUHAT-IIAWOOMASA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000580125767 491718721 /nfs/dbraw/zinc/71/87/21/491718721.db2.gz ZUYDABXLIXAAFL-KYJSFNMBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000580125767 491718722 /nfs/dbraw/zinc/71/87/22/491718722.db2.gz ZUYDABXLIXAAFL-KYJSFNMBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000580125767 491718723 /nfs/dbraw/zinc/71/87/23/491718723.db2.gz ZUYDABXLIXAAFL-KYJSFNMBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000580291402 491724388 /nfs/dbraw/zinc/72/43/88/491724388.db2.gz PJTRAQBOYQXIII-INIZCTEOSA-N 2 1 354.495 0.063 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000580717489 491742980 /nfs/dbraw/zinc/74/29/80/491742980.db2.gz GMYMDWOSMCWPIC-HNNXBMFYSA-N 2 1 362.430 0.341 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580764488 491744602 /nfs/dbraw/zinc/74/46/02/491744602.db2.gz HCTPNIWXLWQXGX-QAPCUYQASA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580764488 491744605 /nfs/dbraw/zinc/74/46/05/491744605.db2.gz HCTPNIWXLWQXGX-QAPCUYQASA-N 2 1 374.485 0.342 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000660532349 493360124 /nfs/dbraw/zinc/36/01/24/493360124.db2.gz HAKUDEIFFUGGAU-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000581070710 491758167 /nfs/dbraw/zinc/75/81/67/491758167.db2.gz ZNCXZKNPFDRBAX-UHFFFAOYSA-N 2 1 359.434 0.769 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083666 491758789 /nfs/dbraw/zinc/75/87/89/491758789.db2.gz XELSSMUWZMJDRE-UKRRQHHQSA-N 2 1 350.850 0.590 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083666 491758790 /nfs/dbraw/zinc/75/87/90/491758790.db2.gz XELSSMUWZMJDRE-UKRRQHHQSA-N 2 1 350.850 0.590 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000581149030 491761414 /nfs/dbraw/zinc/76/14/14/491761414.db2.gz RIJLRSXNCXJIAS-NXOAAHMSSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000581149031 491761453 /nfs/dbraw/zinc/76/14/53/491761453.db2.gz RIJLRSXNCXJIAS-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581500298 491775389 /nfs/dbraw/zinc/77/53/89/491775389.db2.gz MRIFWGZZHOSEHE-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581500298 491775391 /nfs/dbraw/zinc/77/53/91/491775391.db2.gz MRIFWGZZHOSEHE-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582063061 491796523 /nfs/dbraw/zinc/79/65/23/491796523.db2.gz NSMDFTJIKVTCCJ-OLZOCXBDSA-N 2 1 352.460 0.204 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582063061 491796525 /nfs/dbraw/zinc/79/65/25/491796525.db2.gz NSMDFTJIKVTCCJ-OLZOCXBDSA-N 2 1 352.460 0.204 20 0 FCADMP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582290631 491805827 /nfs/dbraw/zinc/80/58/27/491805827.db2.gz LWGDKROIYIMAQM-HUUCEWRRSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582350599 491808717 /nfs/dbraw/zinc/80/87/17/491808717.db2.gz BLTBQZYURIRNRR-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582350599 491808718 /nfs/dbraw/zinc/80/87/18/491808718.db2.gz BLTBQZYURIRNRR-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)CCC2 ZINC000582383256 491810163 /nfs/dbraw/zinc/81/01/63/491810163.db2.gz SSVVLVTUFUGWAF-HZPDHXFCSA-N 2 1 361.490 0.984 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424161 491811881 /nfs/dbraw/zinc/81/18/81/491811881.db2.gz XQPCMTDQQAXODS-GOSISDBHSA-N 2 1 364.465 0.914 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852495 491829385 /nfs/dbraw/zinc/82/93/85/491829385.db2.gz DWJQHKJFSUJETQ-CVEARBPZSA-N 2 1 370.538 0.552 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)c1 ZINC000583111327 491838422 /nfs/dbraw/zinc/83/84/22/491838422.db2.gz RGBWBEFNNQXTPF-MRXNPFEDSA-N 2 1 371.485 0.805 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)c1 ZINC000583111327 491838423 /nfs/dbraw/zinc/83/84/23/491838423.db2.gz RGBWBEFNNQXTPF-MRXNPFEDSA-N 2 1 371.485 0.805 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1 ZINC000583435526 491844679 /nfs/dbraw/zinc/84/46/79/491844679.db2.gz KHMSWGNWRGOWCQ-KRWDZBQOSA-N 2 1 372.473 0.648 20 0 FCADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000583689205 491850113 /nfs/dbraw/zinc/85/01/13/491850113.db2.gz YBFVNTNLXJZGSW-KRWDZBQOSA-N 2 1 363.458 0.383 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000583861792 491853435 /nfs/dbraw/zinc/85/34/35/491853435.db2.gz VUWKVJUHGJXXSO-FZMWSMFESA-N 2 1 362.518 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079035 491858096 /nfs/dbraw/zinc/85/80/96/491858096.db2.gz KYEPDXOWUHIFCU-DLTWYDFYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079035 491858097 /nfs/dbraw/zinc/85/80/97/491858097.db2.gz KYEPDXOWUHIFCU-DLTWYDFYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079035 491858098 /nfs/dbraw/zinc/85/80/98/491858098.db2.gz KYEPDXOWUHIFCU-DLTWYDFYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584163067 491859715 /nfs/dbraw/zinc/85/97/15/491859715.db2.gz UIVDEICZJWBRQM-VYDXJSESSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584163067 491859716 /nfs/dbraw/zinc/85/97/16/491859716.db2.gz UIVDEICZJWBRQM-VYDXJSESSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000611673179 491867018 /nfs/dbraw/zinc/86/70/18/491867018.db2.gz KGEWJXGKCZDBDT-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000611673179 491867019 /nfs/dbraw/zinc/86/70/19/491867019.db2.gz KGEWJXGKCZDBDT-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000611676364 491867797 /nfs/dbraw/zinc/86/77/97/491867797.db2.gz UTCXPAYEXPVOOW-UXLLHSPISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000611676364 491867800 /nfs/dbraw/zinc/86/78/00/491867800.db2.gz UTCXPAYEXPVOOW-UXLLHSPISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000611676364 491867803 /nfs/dbraw/zinc/86/78/03/491867803.db2.gz UTCXPAYEXPVOOW-UXLLHSPISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611676364 491867804 /nfs/dbraw/zinc/86/78/04/491867804.db2.gz UTCXPAYEXPVOOW-UXLLHSPISA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000600733628 491879787 /nfs/dbraw/zinc/87/97/87/491879787.db2.gz LEISAQUKRMUKRB-UHFFFAOYSA-N 2 1 352.479 0.688 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000600733628 491879789 /nfs/dbraw/zinc/87/97/89/491879789.db2.gz LEISAQUKRMUKRB-UHFFFAOYSA-N 2 1 352.479 0.688 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)CN3CC[NH+](C)CC3)CCCC2)CC1 ZINC000601006581 491892743 /nfs/dbraw/zinc/89/27/43/491892743.db2.gz IVTPBUUSUBUOBE-UHFFFAOYSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000612487215 491925200 /nfs/dbraw/zinc/92/52/00/491925200.db2.gz QRCJEYJHCXLCJA-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601471988 491925245 /nfs/dbraw/zinc/92/52/45/491925245.db2.gz BNOOKZLGQWDOHD-QGZVFWFLSA-N 2 1 374.485 0.791 20 0 FCADMP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601471988 491925248 /nfs/dbraw/zinc/92/52/48/491925248.db2.gz BNOOKZLGQWDOHD-QGZVFWFLSA-N 2 1 374.485 0.791 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542465 491930519 /nfs/dbraw/zinc/93/05/19/491930519.db2.gz IVCDHYDCBXZTOR-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542465 491930522 /nfs/dbraw/zinc/93/05/22/491930522.db2.gz IVCDHYDCBXZTOR-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542465 491930524 /nfs/dbraw/zinc/93/05/24/491930524.db2.gz IVCDHYDCBXZTOR-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612541012 491930797 /nfs/dbraw/zinc/93/07/97/491930797.db2.gz BLXURBFBLDAMOV-KRWDZBQOSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000612547962 491932364 /nfs/dbraw/zinc/93/23/64/491932364.db2.gz JCCGBOXCAZDLRG-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758151 491949571 /nfs/dbraw/zinc/94/95/71/491949571.db2.gz FDNKFWXGDFRJBL-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758151 491949573 /nfs/dbraw/zinc/94/95/73/491949573.db2.gz FDNKFWXGDFRJBL-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758151 491949576 /nfs/dbraw/zinc/94/95/76/491949576.db2.gz FDNKFWXGDFRJBL-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758151 491949579 /nfs/dbraw/zinc/94/95/79/491949579.db2.gz FDNKFWXGDFRJBL-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000612962385 491959854 /nfs/dbraw/zinc/95/98/54/491959854.db2.gz HBPLZRWHEKGCHS-INIZCTEOSA-N 2 1 363.506 0.324 20 0 FCADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000596655872 491994243 /nfs/dbraw/zinc/99/42/43/491994243.db2.gz YXUJNRBQRLCYNB-NSHDSACASA-N 2 1 373.413 0.934 20 0 FCADMP COC(=O)[C@@]1(C)C[NH+](C[C@H](O)C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929253 492005956 /nfs/dbraw/zinc/00/59/56/492005956.db2.gz MMZFIUPWVHCZFE-BCCBVXTOSA-N 2 1 370.490 0.609 20 0 FCADMP COC(=O)[C@@]1(C)C[N@H+](C[C@H](O)C[NH+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929253 492005959 /nfs/dbraw/zinc/00/59/59/492005959.db2.gz MMZFIUPWVHCZFE-BCCBVXTOSA-N 2 1 370.490 0.609 20 0 FCADMP COC(=O)[C@@]1(C)C[N@@H+](C[C@H](O)C[NH+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929253 492005963 /nfs/dbraw/zinc/00/59/63/492005963.db2.gz MMZFIUPWVHCZFE-BCCBVXTOSA-N 2 1 370.490 0.609 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000603752714 492041277 /nfs/dbraw/zinc/04/12/77/492041277.db2.gz TUZSEXYILRUQSF-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)C1 ZINC000604353032 492057962 /nfs/dbraw/zinc/05/79/62/492057962.db2.gz AUUXGOQJEYSSDB-SFHVURJKSA-N 2 1 352.523 0.727 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)C1 ZINC000604353032 492057965 /nfs/dbraw/zinc/05/79/65/492057965.db2.gz AUUXGOQJEYSSDB-SFHVURJKSA-N 2 1 352.523 0.727 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000614861995 492061533 /nfs/dbraw/zinc/06/15/33/492061533.db2.gz YRSQIOXTRTXYMK-OAHLLOKOSA-N 2 1 372.469 0.625 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000614861995 492061534 /nfs/dbraw/zinc/06/15/34/492061534.db2.gz YRSQIOXTRTXYMK-OAHLLOKOSA-N 2 1 372.469 0.625 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000614861995 492061536 /nfs/dbraw/zinc/06/15/36/492061536.db2.gz YRSQIOXTRTXYMK-OAHLLOKOSA-N 2 1 372.469 0.625 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000598253316 492090527 /nfs/dbraw/zinc/09/05/27/492090527.db2.gz IYEGAFTVMHNQCN-JKSUJKDBSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000598253316 492090528 /nfs/dbraw/zinc/09/05/28/492090528.db2.gz IYEGAFTVMHNQCN-JKSUJKDBSA-N 2 1 351.495 0.465 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000605876069 492104212 /nfs/dbraw/zinc/10/42/12/492104212.db2.gz DGAAQCWQJVQTCK-KRWDZBQOSA-N 2 1 363.506 0.420 20 0 FCADMP C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCOCC1 ZINC000606681802 492125897 /nfs/dbraw/zinc/12/58/97/492125897.db2.gz TYELFSKUDKZBAD-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691082 492187506 /nfs/dbraw/zinc/18/75/06/492187506.db2.gz SQRTWRIGDVERQX-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)CCSCCC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000609521500 492211241 /nfs/dbraw/zinc/21/12/41/492211241.db2.gz KZLJAQMPTDEMDD-HOTGVXAUSA-N 2 1 370.563 0.636 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000619177277 492252449 /nfs/dbraw/zinc/25/24/49/492252449.db2.gz SDNKOFNNPKWAGI-UHFFFAOYSA-N 2 1 372.454 0.748 20 0 FCADMP CN(CCOCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000619324319 492260661 /nfs/dbraw/zinc/26/06/61/492260661.db2.gz JUOVPGYNIQVTNK-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000619324319 492260662 /nfs/dbraw/zinc/26/06/62/492260662.db2.gz JUOVPGYNIQVTNK-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000619324319 492260665 /nfs/dbraw/zinc/26/06/65/492260665.db2.gz JUOVPGYNIQVTNK-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000619324316 492260799 /nfs/dbraw/zinc/26/07/99/492260799.db2.gz JUOVPGYNIQVTNK-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000619324316 492260800 /nfs/dbraw/zinc/26/08/00/492260800.db2.gz JUOVPGYNIQVTNK-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000619324316 492260801 /nfs/dbraw/zinc/26/08/01/492260801.db2.gz JUOVPGYNIQVTNK-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)COCC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000619898623 492282206 /nfs/dbraw/zinc/28/22/06/492282206.db2.gz LQAPVJQPAINWKW-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000619898623 492282207 /nfs/dbraw/zinc/28/22/07/492282207.db2.gz LQAPVJQPAINWKW-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000619898623 492282208 /nfs/dbraw/zinc/28/22/08/492282208.db2.gz LQAPVJQPAINWKW-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000627427502 492291793 /nfs/dbraw/zinc/29/17/93/492291793.db2.gz GYMXOLUDGAEUQZ-WBVHZDCISA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCCCn1ccnc1)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641735071 492300946 /nfs/dbraw/zinc/30/09/46/492300946.db2.gz LYXZEAPNVIXHKO-QGZVFWFLSA-N 2 1 364.494 0.369 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000654450171 492305109 /nfs/dbraw/zinc/30/51/09/492305109.db2.gz DCRJCZKXNPRSLO-BRWVUGGUSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000654450171 492305112 /nfs/dbraw/zinc/30/51/12/492305112.db2.gz DCRJCZKXNPRSLO-BRWVUGGUSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000654450171 492305115 /nfs/dbraw/zinc/30/51/15/492305115.db2.gz DCRJCZKXNPRSLO-BRWVUGGUSA-N 2 1 365.522 0.890 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000641785825 492305393 /nfs/dbraw/zinc/30/53/93/492305393.db2.gz FUIRFFZRAJVNQN-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627471944 492310217 /nfs/dbraw/zinc/31/02/17/492310217.db2.gz BYFVAFQGHCSSJP-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825416 492311214 /nfs/dbraw/zinc/31/12/14/492311214.db2.gz USPGEZNNSPNETE-HRCADAONSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825416 492311216 /nfs/dbraw/zinc/31/12/16/492311216.db2.gz USPGEZNNSPNETE-HRCADAONSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825717 492311265 /nfs/dbraw/zinc/31/12/65/492311265.db2.gz WTQBAFAHHQRZMS-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825717 492311267 /nfs/dbraw/zinc/31/12/67/492311267.db2.gz WTQBAFAHHQRZMS-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1(C)C ZINC000641825843 492311511 /nfs/dbraw/zinc/31/15/11/492311511.db2.gz XGWJLFFOBAVGPJ-HZPDHXFCSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1(C)C ZINC000641825843 492311515 /nfs/dbraw/zinc/31/15/15/492311515.db2.gz XGWJLFFOBAVGPJ-HZPDHXFCSA-N 2 1 366.506 0.284 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567281 492314082 /nfs/dbraw/zinc/31/40/82/492314082.db2.gz POLYMPAFKVQRNJ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567281 492314088 /nfs/dbraw/zinc/31/40/88/492314088.db2.gz POLYMPAFKVQRNJ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567281 492314092 /nfs/dbraw/zinc/31/40/92/492314092.db2.gz POLYMPAFKVQRNJ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642101794 492335229 /nfs/dbraw/zinc/33/52/29/492335229.db2.gz OQLRKMLEWNBXAC-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000642321282 492350023 /nfs/dbraw/zinc/35/00/23/492350023.db2.gz UALMNZDMRJICKV-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642321283 492350557 /nfs/dbraw/zinc/35/05/57/492350557.db2.gz UALMNZDMRJICKV-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330478 492352355 /nfs/dbraw/zinc/35/23/55/492352355.db2.gz MBHYTLPLMJKQHB-KFWWJZLASA-N 2 1 354.495 0.188 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642373601 492356067 /nfs/dbraw/zinc/35/60/67/492356067.db2.gz RVIOQBIDOUMWKE-DJIMGWMZSA-N 2 1 362.474 0.103 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105066 492356653 /nfs/dbraw/zinc/35/66/53/492356653.db2.gz KPKLTDKCSJQXFQ-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@@H](C)O1 ZINC000642394763 492357189 /nfs/dbraw/zinc/35/71/89/492357189.db2.gz TVGRYQYHXXNSOB-ZIAGYGMSSA-N 2 1 354.495 0.330 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCNC(=O)C[C@@H]3C)CC2)CC1 ZINC000654831865 492357986 /nfs/dbraw/zinc/35/79/86/492357986.db2.gz OPROFEFTORYNPX-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]1 ZINC000621152818 492358884 /nfs/dbraw/zinc/35/88/84/492358884.db2.gz FLKZYPIFPQQFAS-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000642540794 492362891 /nfs/dbraw/zinc/36/28/91/492362891.db2.gz OBMNMBSEDYNBIP-AWEZNQCLSA-N 2 1 364.515 0.945 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642640161 492368212 /nfs/dbraw/zinc/36/82/12/492368212.db2.gz BAQIUCNZFGJPIY-XHSDSOJGSA-N 2 1 354.495 0.045 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640734 492369216 /nfs/dbraw/zinc/36/92/16/492369216.db2.gz PTFSXPVUZWAJAL-FGTMMUONSA-N 2 1 358.486 0.820 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640948 492369426 /nfs/dbraw/zinc/36/94/26/492369426.db2.gz PTJDFMFARRXVRT-RYQLBKOJSA-N 2 1 356.470 0.491 20 0 FCADMP C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000647836152 492370428 /nfs/dbraw/zinc/37/04/28/492370428.db2.gz CNVSYODPUWYFOZ-UHFFFAOYSA-N 2 1 354.520 0.285 20 0 FCADMP C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000647836152 492370430 /nfs/dbraw/zinc/37/04/30/492370430.db2.gz CNVSYODPUWYFOZ-UHFFFAOYSA-N 2 1 354.520 0.285 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000642693002 492374286 /nfs/dbraw/zinc/37/42/86/492374286.db2.gz JCYYGXFNZLWUGO-HHXXYDBFSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000642693002 492374287 /nfs/dbraw/zinc/37/42/87/492374287.db2.gz JCYYGXFNZLWUGO-HHXXYDBFSA-N 2 1 370.497 0.760 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000642708012 492376831 /nfs/dbraw/zinc/37/68/31/492376831.db2.gz JSVQXNKZZUMLTH-UHFFFAOYSA-N 2 1 360.458 0.003 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728594 492381424 /nfs/dbraw/zinc/38/14/24/492381424.db2.gz KEGKALBEWVUSBD-NXOAAHMSSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728594 492381426 /nfs/dbraw/zinc/38/14/26/492381426.db2.gz KEGKALBEWVUSBD-NXOAAHMSSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000642731701 492381451 /nfs/dbraw/zinc/38/14/51/492381451.db2.gz MYZYDXYWNFZNPO-IACUBPJLSA-N 2 1 354.476 0.042 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750875 492384389 /nfs/dbraw/zinc/38/43/89/492384389.db2.gz HDXFYEBYGVEPOY-YYIAUSFCSA-N 2 1 368.522 0.435 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750930 492386116 /nfs/dbraw/zinc/38/61/16/492386116.db2.gz XRNJDZQGPQNDAV-PMPSAXMXSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642756709 492386309 /nfs/dbraw/zinc/38/63/09/492386309.db2.gz ZJGGVIZHSWINGA-JQHSSLGASA-N 2 1 374.485 0.199 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c(N2CCCC2)[nH+]1 ZINC000642778756 492389388 /nfs/dbraw/zinc/38/93/88/492389388.db2.gz JFHXJQMQXFMWLO-MRXNPFEDSA-N 2 1 359.474 0.946 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000642785678 492391459 /nfs/dbraw/zinc/39/14/59/492391459.db2.gz CTROOHISGBYRTL-FGTMMUONSA-N 2 1 374.460 0.679 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@](C)(C(N)=O)C3)CC2)CC1 ZINC000655045656 492395433 /nfs/dbraw/zinc/39/54/33/492395433.db2.gz NEGOITXQBPRXRJ-IBGZPJMESA-N 2 1 350.507 0.907 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000642903357 492400220 /nfs/dbraw/zinc/40/02/20/492400220.db2.gz HXFAGIZTNQRSLY-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000642903357 492400222 /nfs/dbraw/zinc/40/02/22/492400222.db2.gz HXFAGIZTNQRSLY-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000642910322 492402232 /nfs/dbraw/zinc/40/22/32/492402232.db2.gz DPBFEQGNJHTMKL-JXFKEZNVSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000642911640 492402268 /nfs/dbraw/zinc/40/22/68/492402268.db2.gz MAVUVLIYSFTUGC-JJTUDDRGSA-N 2 1 366.506 0.473 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000642911640 492402271 /nfs/dbraw/zinc/40/22/71/492402271.db2.gz MAVUVLIYSFTUGC-JJTUDDRGSA-N 2 1 366.506 0.473 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000642914701 492402781 /nfs/dbraw/zinc/40/27/81/492402781.db2.gz HZJBUGSYLIOLTM-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642918180 492403231 /nfs/dbraw/zinc/40/32/31/492403231.db2.gz PFHXDDAELQMEKC-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918833 492403922 /nfs/dbraw/zinc/40/39/22/492403922.db2.gz DQMOCRQXPLUUNG-JKSUJKDBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918833 492403924 /nfs/dbraw/zinc/40/39/24/492403924.db2.gz DQMOCRQXPLUUNG-JKSUJKDBSA-N 2 1 358.486 0.976 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918776 492403994 /nfs/dbraw/zinc/40/39/94/492403994.db2.gz BRSNAQBMTLHLRI-UHFFFAOYSA-N 2 1 358.486 0.898 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000642922022 492404968 /nfs/dbraw/zinc/40/49/68/492404968.db2.gz FGYKXMIUSAGGEO-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[C@H](O)[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655148208 492406850 /nfs/dbraw/zinc/40/68/50/492406850.db2.gz ZMQOJCRXOPSWFH-MSOLQXFVSA-N 2 1 355.523 0.821 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000642980340 492410284 /nfs/dbraw/zinc/41/02/84/492410284.db2.gz AKNHKVXJIPIVKE-HNNXBMFYSA-N 2 1 364.515 0.693 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000643013070 492414636 /nfs/dbraw/zinc/41/46/36/492414636.db2.gz SIXZOSJIIBRQRI-GPJARZKNSA-N 2 1 374.529 0.809 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000621992151 492438376 /nfs/dbraw/zinc/43/83/76/492438376.db2.gz OAHHWEFAJLLYRS-KRWDZBQOSA-N 2 1 374.485 0.886 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000655446821 492444232 /nfs/dbraw/zinc/44/42/32/492444232.db2.gz CAYYCEPUSPVYBC-GHTZIAJQSA-N 2 1 370.497 0.837 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552416 492455650 /nfs/dbraw/zinc/45/56/50/492455650.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552416 492455655 /nfs/dbraw/zinc/45/56/55/492455655.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552416 492455658 /nfs/dbraw/zinc/45/56/58/492455658.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552416 492455659 /nfs/dbraw/zinc/45/56/59/492455659.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552416 492455664 /nfs/dbraw/zinc/45/56/64/492455664.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 2 1 367.538 0.301 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556288 492456475 /nfs/dbraw/zinc/45/64/75/492456475.db2.gz GTOAAHLPKATSIZ-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556288 492456479 /nfs/dbraw/zinc/45/64/79/492456479.db2.gz GTOAAHLPKATSIZ-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556288 492456483 /nfs/dbraw/zinc/45/64/83/492456483.db2.gz GTOAAHLPKATSIZ-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655556308 492456615 /nfs/dbraw/zinc/45/66/15/492456615.db2.gz HPAROSZRMGMYRR-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635547609 492468625 /nfs/dbraw/zinc/46/86/25/492468625.db2.gz HXIOFFBCVGUZEI-HNNXBMFYSA-N 2 1 374.489 0.279 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635566487 492473298 /nfs/dbraw/zinc/47/32/98/492473298.db2.gz YOZDFQMVDGJLCS-BXWFABGCSA-N 2 1 368.522 0.593 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635566487 492473304 /nfs/dbraw/zinc/47/33/04/492473304.db2.gz YOZDFQMVDGJLCS-BXWFABGCSA-N 2 1 368.522 0.593 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635566487 492473307 /nfs/dbraw/zinc/47/33/07/492473307.db2.gz YOZDFQMVDGJLCS-BXWFABGCSA-N 2 1 368.522 0.593 20 0 FCADMP CC[N@H+]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C1 ZINC000655671235 492475627 /nfs/dbraw/zinc/47/56/27/492475627.db2.gz IYLNCMPOBUYBGD-HOTGVXAUSA-N 2 1 354.495 0.507 20 0 FCADMP CC[N@@H+]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C1 ZINC000655671235 492475631 /nfs/dbraw/zinc/47/56/31/492475631.db2.gz IYLNCMPOBUYBGD-HOTGVXAUSA-N 2 1 354.495 0.507 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643480984 492477388 /nfs/dbraw/zinc/47/73/88/492477388.db2.gz MGKHJPOUPIZAEB-RBUKOAKNSA-N 2 1 370.497 0.931 20 0 FCADMP NC(=O)CNC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655694431 492477678 /nfs/dbraw/zinc/47/76/78/492477678.db2.gz HEZRAPOSBBXMEP-GOSISDBHSA-N 2 1 374.485 0.635 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643484590 492478183 /nfs/dbraw/zinc/47/81/83/492478183.db2.gz DQIJIGJBHWDIAZ-KDURUIRLSA-N 2 1 370.497 0.707 20 0 FCADMP O=S(=O)(Cc1ccon1)NCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655720695 492478306 /nfs/dbraw/zinc/47/83/06/492478306.db2.gz DARHBHJURFGNPN-MRXNPFEDSA-N 2 1 372.491 0.327 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000643484616 492478497 /nfs/dbraw/zinc/47/84/97/492478497.db2.gz HUJZNBJHGMZSDZ-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H](C)O1 ZINC000643498056 492482765 /nfs/dbraw/zinc/48/27/65/492482765.db2.gz QPKOHFIXJWPLBU-MTSZKFMLSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000643503478 492483916 /nfs/dbraw/zinc/48/39/16/492483916.db2.gz DKHLBUWGRXATCV-HZPDHXFCSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000643531817 492490908 /nfs/dbraw/zinc/49/09/08/492490908.db2.gz NUZHLSKKONDHKA-GOSISDBHSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000643540900 492494554 /nfs/dbraw/zinc/49/45/54/492494554.db2.gz PFYJTRGFERELRR-RYRKJORJSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635703453 492494739 /nfs/dbraw/zinc/49/47/39/492494739.db2.gz LFMQZFQWAWYSEK-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643544152 492495115 /nfs/dbraw/zinc/49/51/15/492495115.db2.gz RMAZXDWZFGIZIB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643545301 492495827 /nfs/dbraw/zinc/49/58/27/492495827.db2.gz XKTCRTDNKNHFSY-TVFCKZIOSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)[C@@H]2C1 ZINC000643549989 492497753 /nfs/dbraw/zinc/49/77/53/492497753.db2.gz OAHYACVRLAZESH-DJIMGWMZSA-N 2 1 362.518 0.776 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2C1 ZINC000655958929 492498045 /nfs/dbraw/zinc/49/80/45/492498045.db2.gz PMSHWKIRQNGQDA-FHLIZLRMSA-N 2 1 371.485 0.969 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC000655958933 492498196 /nfs/dbraw/zinc/49/81/96/492498196.db2.gz PMSHWKIRQNGQDA-OLMNPRSZSA-N 2 1 371.485 0.969 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000643564583 492499972 /nfs/dbraw/zinc/49/99/72/492499972.db2.gz WHBRPCXGQVRQCW-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643586153 492500797 /nfs/dbraw/zinc/50/07/97/492500797.db2.gz YASHMLAAGAFITC-BPQIPLTHSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1Cc1ccccc1 ZINC000643593950 492503725 /nfs/dbraw/zinc/50/37/25/492503725.db2.gz MMHLSGMSOWJBME-KURKYZTESA-N 2 1 356.470 0.192 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1Cc1ccccc1 ZINC000643593950 492503730 /nfs/dbraw/zinc/50/37/30/492503730.db2.gz MMHLSGMSOWJBME-KURKYZTESA-N 2 1 356.470 0.192 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643594499 492503901 /nfs/dbraw/zinc/50/39/01/492503901.db2.gz IIPCVCANYRSFIZ-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643594501 492503947 /nfs/dbraw/zinc/50/39/47/492503947.db2.gz IIPCVCANYRSFIZ-ULQDDVLXSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc21 ZINC000635802742 492507701 /nfs/dbraw/zinc/50/77/01/492507701.db2.gz VEQBIUBQMJZZGD-GOSISDBHSA-N 2 1 361.446 0.100 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc21 ZINC000635802743 492508071 /nfs/dbraw/zinc/50/80/71/492508071.db2.gz VEQBIUBQMJZZGD-SFHVURJKSA-N 2 1 361.446 0.100 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315706 492530342 /nfs/dbraw/zinc/53/03/42/492530342.db2.gz CVERYRYLMXDELH-HOTGVXAUSA-N 2 1 360.458 0.558 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000656087104 492547783 /nfs/dbraw/zinc/54/77/83/492547783.db2.gz QZUHXDMIVCLGMI-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP c1ccc(N2CCN(C[C@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414517 492552581 /nfs/dbraw/zinc/55/25/81/492552581.db2.gz DZJZTEILXBCSBO-FQEVSTJZSA-N 2 1 372.561 0.821 20 0 FCADMP c1ccc(N2CC[NH+](C[C@H]3CCCN(CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414517 492552584 /nfs/dbraw/zinc/55/25/84/492552584.db2.gz DZJZTEILXBCSBO-FQEVSTJZSA-N 2 1 372.561 0.821 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000656307851 492582091 /nfs/dbraw/zinc/58/20/91/492582091.db2.gz XBYBSQUBKUBIIL-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000656307851 492582094 /nfs/dbraw/zinc/58/20/94/492582094.db2.gz XBYBSQUBKUBIIL-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1C ZINC000656311760 492585705 /nfs/dbraw/zinc/58/57/05/492585705.db2.gz HTCCXWKAOUMTCV-CABCVRRESA-N 2 1 362.478 0.235 20 0 FCADMP C[N@@H+]1CCCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000624189878 492626248 /nfs/dbraw/zinc/62/62/48/492626248.db2.gz BUBPXVAPAQJEEN-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP C[N@H+]1CCCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000624189878 492626251 /nfs/dbraw/zinc/62/62/51/492626251.db2.gz BUBPXVAPAQJEEN-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C3CC3)C2)cc1 ZINC000636613685 492638188 /nfs/dbraw/zinc/63/81/88/492638188.db2.gz LSGBXRUCMVNYLK-KRWDZBQOSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000636613685 492638192 /nfs/dbraw/zinc/63/81/92/492638192.db2.gz LSGBXRUCMVNYLK-KRWDZBQOSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000636613685 492638195 /nfs/dbraw/zinc/63/81/95/492638195.db2.gz LSGBXRUCMVNYLK-KRWDZBQOSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(NC(=O)C[N@H+](C)CCOCC[NH3+])cc1S(=O)(=O)N(C)C ZINC000629576080 492653257 /nfs/dbraw/zinc/65/32/57/492653257.db2.gz RJRNNOSJELJZGS-UHFFFAOYSA-N 2 1 372.491 0.091 20 0 FCADMP Cc1ccc(NC(=O)C[N@@H+](C)CCOCC[NH3+])cc1S(=O)(=O)N(C)C ZINC000629576080 492653261 /nfs/dbraw/zinc/65/32/61/492653261.db2.gz RJRNNOSJELJZGS-UHFFFAOYSA-N 2 1 372.491 0.091 20 0 FCADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578697 492655685 /nfs/dbraw/zinc/65/56/85/492655685.db2.gz DKGQEONIVWERKA-OAHLLOKOSA-N 2 1 351.447 0.582 20 0 FCADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578697 492655687 /nfs/dbraw/zinc/65/56/87/492655687.db2.gz DKGQEONIVWERKA-OAHLLOKOSA-N 2 1 351.447 0.582 20 0 FCADMP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629579074 492655746 /nfs/dbraw/zinc/65/57/46/492655746.db2.gz INAAVHGTBUXYCO-GFCCVEGCSA-N 2 1 352.435 0.888 20 0 FCADMP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629579074 492655748 /nfs/dbraw/zinc/65/57/48/492655748.db2.gz INAAVHGTBUXYCO-GFCCVEGCSA-N 2 1 352.435 0.888 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636674598 492656309 /nfs/dbraw/zinc/65/63/09/492656309.db2.gz OGUGHMFCNMABIH-MRXNPFEDSA-N 2 1 350.463 0.493 20 0 FCADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+](C)CCOCC[NH3+] ZINC000629580048 492656525 /nfs/dbraw/zinc/65/65/25/492656525.db2.gz SFUIUYWAVQAXED-HUUCEWRRSA-N 2 1 351.447 0.580 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000636743451 492678880 /nfs/dbraw/zinc/67/88/80/492678880.db2.gz FFMQWRMBBBDLHP-KRWDZBQOSA-N 2 1 364.490 0.883 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629809277 492682966 /nfs/dbraw/zinc/68/29/66/492682966.db2.gz PBQAURXEOAWDKP-AVGNSLFASA-N 2 1 364.412 0.525 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1=O ZINC000624787090 492683882 /nfs/dbraw/zinc/68/38/82/492683882.db2.gz OZGOUIFADUPJOS-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644339089 492714668 /nfs/dbraw/zinc/71/46/68/492714668.db2.gz VFBXBTQHMVNUIE-ZACQAIPSSA-N 2 1 354.495 0.384 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636960852 492738292 /nfs/dbraw/zinc/73/82/92/492738292.db2.gz NLSBLPDEHPVIKE-MAUKXSAKSA-N 2 1 361.490 0.973 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)[C@@]3(O)CCCOC3)cn2)CC1 ZINC000657767302 492792831 /nfs/dbraw/zinc/79/28/31/492792831.db2.gz YXSZNEUZUHPBRR-LJQANCHMSA-N 2 1 363.506 0.886 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000631049688 492795167 /nfs/dbraw/zinc/79/51/67/492795167.db2.gz KLGLWUSOXHUPHQ-IBGZPJMESA-N 2 1 363.502 0.944 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000631163203 492800858 /nfs/dbraw/zinc/80/08/58/492800858.db2.gz LTOLLPGXYPYZEX-BRSBDYLESA-N 2 1 364.534 0.929 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000637259380 492801497 /nfs/dbraw/zinc/80/14/97/492801497.db2.gz VVVVNIUXYQTCMF-XHSDSOJGSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637259380 492801500 /nfs/dbraw/zinc/80/15/00/492801500.db2.gz VVVVNIUXYQTCMF-XHSDSOJGSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000637259380 492801503 /nfs/dbraw/zinc/80/15/03/492801503.db2.gz VVVVNIUXYQTCMF-XHSDSOJGSA-N 2 1 351.495 0.642 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657874498 492808863 /nfs/dbraw/zinc/80/88/63/492808863.db2.gz WZZLOJUGGAHVAT-MRXNPFEDSA-N 2 1 359.474 0.673 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000625525546 492811465 /nfs/dbraw/zinc/81/14/65/492811465.db2.gz WXAZKXKKUILOFA-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000625525546 492811468 /nfs/dbraw/zinc/81/14/68/492811468.db2.gz WXAZKXKKUILOFA-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000625525546 492811470 /nfs/dbraw/zinc/81/14/70/492811470.db2.gz WXAZKXKKUILOFA-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000625525546 492811472 /nfs/dbraw/zinc/81/14/72/492811472.db2.gz WXAZKXKKUILOFA-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373439 492813125 /nfs/dbraw/zinc/81/31/25/492813125.db2.gz OTTTUWCOGFYXQK-XHSDSOJGSA-N 2 1 351.495 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000637375941 492815694 /nfs/dbraw/zinc/81/56/94/492815694.db2.gz AGOSDPPYQHYENF-CVEARBPZSA-N 2 1 351.495 0.596 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637375943 492815702 /nfs/dbraw/zinc/81/57/02/492815702.db2.gz AHTIPYMWXLXKPL-INIZCTEOSA-N 2 1 353.511 0.700 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377070 492816486 /nfs/dbraw/zinc/81/64/86/492816486.db2.gz VBHITJVESZQJMI-XHSDSOJGSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377070 492816489 /nfs/dbraw/zinc/81/64/89/492816489.db2.gz VBHITJVESZQJMI-XHSDSOJGSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377070 492816493 /nfs/dbraw/zinc/81/64/93/492816493.db2.gz VBHITJVESZQJMI-XHSDSOJGSA-N 2 1 353.511 0.840 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000637376024 492816660 /nfs/dbraw/zinc/81/66/60/492816660.db2.gz CZNKTCHFQCOIQN-KRWDZBQOSA-N 2 1 365.522 0.986 20 0 FCADMP O=C(CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000644895085 492821087 /nfs/dbraw/zinc/82/10/87/492821087.db2.gz HLKUBKLHDSZNEF-KRWDZBQOSA-N 2 1 365.522 0.762 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000644917977 492828700 /nfs/dbraw/zinc/82/87/00/492828700.db2.gz XJJSRXMJPPJNCD-IBGZPJMESA-N 2 1 366.506 0.110 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000644917977 492828704 /nfs/dbraw/zinc/82/87/04/492828704.db2.gz XJJSRXMJPPJNCD-IBGZPJMESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631758547 492847538 /nfs/dbraw/zinc/84/75/38/492847538.db2.gz CPAMAVPWCRNIKP-HDICACEKSA-N 2 1 374.595 0.911 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000631846101 492861165 /nfs/dbraw/zinc/86/11/65/492861165.db2.gz TWPDQJZGDJKECJ-UHFFFAOYSA-N 2 1 359.536 0.845 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631910026 492876688 /nfs/dbraw/zinc/87/66/88/492876688.db2.gz VFFBWLCLSBACGC-INIZCTEOSA-N 2 1 352.504 0.779 20 0 FCADMP C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000631914914 492880576 /nfs/dbraw/zinc/88/05/76/492880576.db2.gz BIYQGLXLTAOGIP-HNNXBMFYSA-N 2 1 366.531 0.951 20 0 FCADMP C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000631914914 492880580 /nfs/dbraw/zinc/88/05/80/492880580.db2.gz BIYQGLXLTAOGIP-HNNXBMFYSA-N 2 1 366.531 0.951 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000637952804 492884138 /nfs/dbraw/zinc/88/41/38/492884138.db2.gz LPBAVWMRSAVPJE-UKRRQHHQSA-N 2 1 367.412 0.867 20 0 FCADMP [NH3+]CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000652153298 492888061 /nfs/dbraw/zinc/88/80/61/492888061.db2.gz GGAAIWIBQMTERF-QGZVFWFLSA-N 2 1 353.511 0.163 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000631928154 492889339 /nfs/dbraw/zinc/88/93/39/492889339.db2.gz ROIUNSKSPGSYOH-PBHICJAKSA-N 2 1 356.536 0.864 20 0 FCADMP CCCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645296014 492889714 /nfs/dbraw/zinc/88/97/14/492889714.db2.gz CBRNNHJWFQOQJK-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000645296014 492889717 /nfs/dbraw/zinc/88/97/17/492889717.db2.gz CBRNNHJWFQOQJK-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000645296014 492889719 /nfs/dbraw/zinc/88/97/19/492889719.db2.gz CBRNNHJWFQOQJK-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1C ZINC000652165524 492890031 /nfs/dbraw/zinc/89/00/31/492890031.db2.gz SJXZTFBOILEGCD-SQWLQELKSA-N 2 1 364.494 0.914 20 0 FCADMP CN(CCOCC[NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000625852357 492894908 /nfs/dbraw/zinc/89/49/08/492894908.db2.gz CBSSTGDKSKSBGM-MRXNPFEDSA-N 2 1 363.462 0.575 20 0 FCADMP CN(CCOCC[NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000625852357 492894910 /nfs/dbraw/zinc/89/49/10/492894910.db2.gz CBSSTGDKSKSBGM-MRXNPFEDSA-N 2 1 363.462 0.575 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658449875 492898043 /nfs/dbraw/zinc/89/80/43/492898043.db2.gz KMAQNUKJOLENTB-SFHVURJKSA-N 2 1 360.502 0.782 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631962658 492899077 /nfs/dbraw/zinc/89/90/77/492899077.db2.gz MXMHAFYCEDOGDU-QGZVFWFLSA-N 2 1 360.568 0.808 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000625944084 492903258 /nfs/dbraw/zinc/90/32/58/492903258.db2.gz HCOSNUYXDUBTMW-UHFFFAOYSA-N 2 1 361.446 0.454 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638134717 492914083 /nfs/dbraw/zinc/91/40/83/492914083.db2.gz OFJFHCKZBFJVLI-ADEWGFFLSA-N 2 1 354.405 0.963 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652362742 492915996 /nfs/dbraw/zinc/91/59/96/492915996.db2.gz NUIWHKVMSVQKOU-MLHJIOFPSA-N 2 1 366.506 0.474 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632047395 492918773 /nfs/dbraw/zinc/91/87/73/492918773.db2.gz JQNYSLYVOBTBSF-QGZVFWFLSA-N 2 1 360.568 0.617 20 0 FCADMP [NH3+]C1(CC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000638265254 492926377 /nfs/dbraw/zinc/92/63/77/492926377.db2.gz KSTLXSAQICDAOA-SFHVURJKSA-N 3 1 360.502 0.865 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000632196964 492948333 /nfs/dbraw/zinc/94/83/33/492948333.db2.gz FMTOVZPAJHFSEA-QGZVFWFLSA-N 2 1 367.515 0.767 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000632196964 492948339 /nfs/dbraw/zinc/94/83/39/492948339.db2.gz FMTOVZPAJHFSEA-QGZVFWFLSA-N 2 1 367.515 0.767 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000652491881 492950043 /nfs/dbraw/zinc/95/00/43/492950043.db2.gz NXZZIJQTZDTEIW-UHFFFAOYSA-N 2 1 370.538 0.650 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000652491881 492950045 /nfs/dbraw/zinc/95/00/45/492950045.db2.gz NXZZIJQTZDTEIW-UHFFFAOYSA-N 2 1 370.538 0.650 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C2 ZINC000652630047 492973211 /nfs/dbraw/zinc/97/32/11/492973211.db2.gz ZLHBFEQIJPOLFS-UGSOOPFHSA-N 2 1 354.414 0.793 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786894 492974736 /nfs/dbraw/zinc/97/47/36/492974736.db2.gz IDWGFJFOAFNNEB-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000638748042 492975278 /nfs/dbraw/zinc/97/52/78/492975278.db2.gz GSCCGVFNIZROTF-DLBZAZTESA-N 2 1 353.488 0.801 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000645819328 492977760 /nfs/dbraw/zinc/97/77/60/492977760.db2.gz LCUQJUXZCFNMHO-GOSISDBHSA-N 2 1 362.478 0.328 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638804858 492980120 /nfs/dbraw/zinc/98/01/20/492980120.db2.gz YEWVTDWWYHXSSY-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673254 492984879 /nfs/dbraw/zinc/98/48/79/492984879.db2.gz ITFIYNVKAPEIHK-OWCLPIDISA-N 2 1 352.523 0.975 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000645925645 492988550 /nfs/dbraw/zinc/98/85/50/492988550.db2.gz IFTHIIWJCBAABJ-UHFFFAOYSA-N 2 1 359.474 0.717 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000645925882 492988615 /nfs/dbraw/zinc/98/86/15/492988615.db2.gz WWTGVJCNCCXZLN-UHFFFAOYSA-N 2 1 361.490 0.964 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949242 492989271 /nfs/dbraw/zinc/98/92/71/492989271.db2.gz ZJUZUDVAKHYKFZ-QBPKDAKJSA-N 2 1 350.507 0.953 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693218 492992124 /nfs/dbraw/zinc/99/21/24/492992124.db2.gz PPEBSOJPAZSLQL-BBWFWOEESA-N 2 1 368.522 0.579 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000645955912 492992277 /nfs/dbraw/zinc/99/22/77/492992277.db2.gz UELNKAYACNETBI-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652701676 492994829 /nfs/dbraw/zinc/99/48/29/492994829.db2.gz GWGNCVYKYWLZSK-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652701676 492994833 /nfs/dbraw/zinc/99/48/33/492994833.db2.gz GWGNCVYKYWLZSK-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002959 492999452 /nfs/dbraw/zinc/99/94/52/492999452.db2.gz LIIJMLYXPICOHG-MDZRGWNJSA-N 2 1 352.523 0.757 20 0 FCADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009504 492999912 /nfs/dbraw/zinc/99/99/12/492999912.db2.gz OHGLTCDEEXPWRH-RBUKOAKNSA-N 2 1 360.502 0.989 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000658688998 493008501 /nfs/dbraw/zinc/00/85/01/493008501.db2.gz GXVFULJUSMVPDI-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000658688998 493008505 /nfs/dbraw/zinc/00/85/05/493008505.db2.gz GXVFULJUSMVPDI-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658688998 493008511 /nfs/dbraw/zinc/00/85/11/493008511.db2.gz GXVFULJUSMVPDI-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000658688998 493008515 /nfs/dbraw/zinc/00/85/15/493008515.db2.gz GXVFULJUSMVPDI-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652734559 493010829 /nfs/dbraw/zinc/01/08/29/493010829.db2.gz OSRDEHWWSUUTDH-YESZJQIVSA-N 2 1 366.506 0.284 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639449786 493011151 /nfs/dbraw/zinc/01/11/51/493011151.db2.gz BVKUSPCRHUKLQJ-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736280 493012246 /nfs/dbraw/zinc/01/22/46/493012246.db2.gz CCRYQACBHARVFT-FHWLQOOXSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736280 493012249 /nfs/dbraw/zinc/01/22/49/493012249.db2.gz CCRYQACBHARVFT-FHWLQOOXSA-N 2 1 370.497 0.582 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](C)CC1 ZINC000646107804 493012673 /nfs/dbraw/zinc/01/26/73/493012673.db2.gz BUTMWEJZDQTGIU-ZWKOTPCHSA-N 2 1 362.522 0.809 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736937 493013031 /nfs/dbraw/zinc/01/30/31/493013031.db2.gz UJZVDPFLBZQPRO-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736937 493013036 /nfs/dbraw/zinc/01/30/36/493013036.db2.gz UJZVDPFLBZQPRO-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736600 493013238 /nfs/dbraw/zinc/01/32/38/493013238.db2.gz JLNLTUAKDJJHHW-RBUKOAKNSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736600 493013239 /nfs/dbraw/zinc/01/32/39/493013239.db2.gz JLNLTUAKDJJHHW-RBUKOAKNSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736601 493013787 /nfs/dbraw/zinc/01/37/87/493013787.db2.gz JLNLTUAKDJJHHW-RTBURBONSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736601 493013790 /nfs/dbraw/zinc/01/37/90/493013790.db2.gz JLNLTUAKDJJHHW-RTBURBONSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000632544494 493026291 /nfs/dbraw/zinc/02/62/91/493026291.db2.gz HTZJPLXZNSLRLS-INIZCTEOSA-N 2 1 360.568 0.664 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639683263 493030984 /nfs/dbraw/zinc/03/09/84/493030984.db2.gz USRIKZKTSABIGN-UHFFFAOYSA-N 2 1 359.474 0.721 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639683263 493030989 /nfs/dbraw/zinc/03/09/89/493030989.db2.gz USRIKZKTSABIGN-UHFFFAOYSA-N 2 1 359.474 0.721 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000626880088 493045580 /nfs/dbraw/zinc/04/55/80/493045580.db2.gz ZUMKWKRKKQLXNP-CRAIPNDOSA-N 2 1 374.485 0.962 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@@H+](C)C[C@H]3CO)CC2)cc1 ZINC000639872062 493063415 /nfs/dbraw/zinc/06/34/15/493063415.db2.gz NOOHULLMRSIANB-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@H+](C)C[C@H]3CO)CC2)cc1 ZINC000639872062 493063420 /nfs/dbraw/zinc/06/34/20/493063420.db2.gz NOOHULLMRSIANB-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C)C[C@H]3CO)CC2)cc1 ZINC000639872062 493063424 /nfs/dbraw/zinc/06/34/24/493063424.db2.gz NOOHULLMRSIANB-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C)C[C@H]3CO)CC2)cc1 ZINC000639872062 493063430 /nfs/dbraw/zinc/06/34/30/493063430.db2.gz NOOHULLMRSIANB-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000653112199 493071894 /nfs/dbraw/zinc/07/18/94/493071894.db2.gz PUAJZDBNGAANGA-KRWDZBQOSA-N 2 1 361.490 0.221 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626980306 493073423 /nfs/dbraw/zinc/07/34/23/493073423.db2.gz QNTRRZPSQBGULB-DLBZAZTESA-N 2 1 353.511 0.032 20 0 FCADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985337 493074580 /nfs/dbraw/zinc/07/45/80/493074580.db2.gz DDSNHSKFENHJRV-SJLPKXTDSA-N 2 1 364.490 0.893 20 0 FCADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985337 493074585 /nfs/dbraw/zinc/07/45/85/493074585.db2.gz DDSNHSKFENHJRV-SJLPKXTDSA-N 2 1 364.490 0.893 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779088 493087630 /nfs/dbraw/zinc/08/76/30/493087630.db2.gz RPHAOPPYCRSCTN-UCIFAOBLSA-N 2 1 360.502 0.053 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC1CC[NH2+]CC1 ZINC000653273355 493088352 /nfs/dbraw/zinc/08/83/52/493088352.db2.gz YVEJJYURXGPZDI-KRWDZBQOSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000633040055 493108766 /nfs/dbraw/zinc/10/87/66/493108766.db2.gz VZKAPKBWSIDSOY-GDBMZVCRSA-N 2 1 360.458 0.448 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633079645 493117703 /nfs/dbraw/zinc/11/77/03/493117703.db2.gz YRMFQRUTRRTTBU-KSZLIROESA-N 2 1 356.470 0.682 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258984 493120433 /nfs/dbraw/zinc/12/04/33/493120433.db2.gz KHOVYLVIEOKUOO-CMKODMSKSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258984 493120436 /nfs/dbraw/zinc/12/04/36/493120436.db2.gz KHOVYLVIEOKUOO-CMKODMSKSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258984 493120442 /nfs/dbraw/zinc/12/04/42/493120442.db2.gz KHOVYLVIEOKUOO-CMKODMSKSA-N 2 1 359.470 0.291 20 0 FCADMP Cc1ccccc1CCNC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640869719 493141538 /nfs/dbraw/zinc/14/15/38/493141538.db2.gz OIQBIIZMKHGQFX-UHFFFAOYSA-N 2 1 370.501 0.911 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C)C1 ZINC000646988966 493141998 /nfs/dbraw/zinc/14/19/98/493141998.db2.gz YNFGTIHPEDYTRX-WMLDXEAASA-N 2 1 356.536 0.483 20 0 FCADMP CCCN(C(=O)C(=O)NCCc1cn2c(n1)CCCC2)[C@H]1CC[N@@H+](C)C1 ZINC000646990555 493142995 /nfs/dbraw/zinc/14/29/95/493142995.db2.gz PLZOHOCDHZDDDK-INIZCTEOSA-N 2 1 361.490 0.821 20 0 FCADMP CCCN(C(=O)C(=O)NCCc1cn2c(n1)CCCC2)[C@H]1CCN(C)C1 ZINC000646990555 493142999 /nfs/dbraw/zinc/14/29/99/493142999.db2.gz PLZOHOCDHZDDDK-INIZCTEOSA-N 2 1 361.490 0.821 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091852 493162446 /nfs/dbraw/zinc/16/24/46/493162446.db2.gz QUKDIIDFQWCOBO-IXDOHACOSA-N 2 1 363.506 0.608 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc(CC[NH3+])nn3)CC2)cc1 ZINC000641029652 493162996 /nfs/dbraw/zinc/16/29/96/493162996.db2.gz YZKWAFJGQPFIOC-UHFFFAOYSA-N 2 1 356.474 0.822 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]2[NH3+])cn1 ZINC000647096386 493163160 /nfs/dbraw/zinc/16/31/60/493163160.db2.gz OVDNCJRALOEKRJ-IPMKNSEASA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]2[NH3+])cn1 ZINC000647096386 493163163 /nfs/dbraw/zinc/16/31/63/493163163.db2.gz OVDNCJRALOEKRJ-IPMKNSEASA-N 2 1 369.469 0.574 20 0 FCADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000659453308 493183039 /nfs/dbraw/zinc/18/30/39/493183039.db2.gz KWSCZMBLMPQCQX-CYBMUJFWSA-N 2 1 358.446 0.961 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659508193 493202744 /nfs/dbraw/zinc/20/27/44/493202744.db2.gz OHKYGGDGSWQAQC-SFHVURJKSA-N 2 1 373.501 0.377 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](Cc2ccccc2)C1 ZINC000659629673 493224387 /nfs/dbraw/zinc/22/43/87/493224387.db2.gz YYRUBKNPDWMEDT-MRXNPFEDSA-N 2 1 370.457 0.709 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](Cc2ccccc2)C1 ZINC000659629673 493224390 /nfs/dbraw/zinc/22/43/90/493224390.db2.gz YYRUBKNPDWMEDT-MRXNPFEDSA-N 2 1 370.457 0.709 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643175 493228450 /nfs/dbraw/zinc/22/84/50/493228450.db2.gz SKPMTMMECJKLMM-MRXNPFEDSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643175 493228452 /nfs/dbraw/zinc/22/84/52/493228452.db2.gz SKPMTMMECJKLMM-MRXNPFEDSA-N 2 1 367.538 0.070 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000672698997 493236681 /nfs/dbraw/zinc/23/66/81/493236681.db2.gz VPWRMEZDFPRBJU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000672698997 493236684 /nfs/dbraw/zinc/23/66/84/493236684.db2.gz VPWRMEZDFPRBJU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000659685517 493252657 /nfs/dbraw/zinc/25/26/57/493252657.db2.gz PUMJKXANQKKETB-HNNXBMFYSA-N 2 1 356.511 0.435 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000659687752 493253609 /nfs/dbraw/zinc/25/36/09/493253609.db2.gz ZYQHOKLGNOGLPJ-KBPBESRZSA-N 2 1 352.504 0.800 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000659692266 493256086 /nfs/dbraw/zinc/25/60/86/493256086.db2.gz YMKVOGUEILGQKZ-GFCCVEGCSA-N 2 1 352.504 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000659692266 493256089 /nfs/dbraw/zinc/25/60/89/493256089.db2.gz YMKVOGUEILGQKZ-GFCCVEGCSA-N 2 1 352.504 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000681948502 493256459 /nfs/dbraw/zinc/25/64/59/493256459.db2.gz BBNVFBRLWCSISH-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699490 493260282 /nfs/dbraw/zinc/26/02/82/493260282.db2.gz UECOIPMUKWWURG-UXLLHSPISA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699490 493260285 /nfs/dbraw/zinc/26/02/85/493260285.db2.gz UECOIPMUKWWURG-UXLLHSPISA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659700054 493260315 /nfs/dbraw/zinc/26/03/15/493260315.db2.gz YXQBKZNMLDGSTG-HZPDHXFCSA-N 2 1 361.490 0.037 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000659700928 493261454 /nfs/dbraw/zinc/26/14/54/493261454.db2.gz ASKKLNDZJVNRRB-YJBOKZPZSA-N 2 1 362.518 0.991 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641667710 493273888 /nfs/dbraw/zinc/27/38/88/493273888.db2.gz ICEYDUMXOHLQLK-GOSISDBHSA-N 2 1 352.523 0.631 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000667297993 493274665 /nfs/dbraw/zinc/27/46/65/493274665.db2.gz YGAUREZAODLATB-UHFFFAOYSA-N 2 1 360.458 0.368 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000682222150 493279952 /nfs/dbraw/zinc/27/99/52/493279952.db2.gz FUIWONAZWKERDO-UHFFFAOYSA-N 3 1 373.461 0.158 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CCO1 ZINC000667397753 493281472 /nfs/dbraw/zinc/28/14/72/493281472.db2.gz GZGCQZGFMRCUAD-NHYWBVRUSA-N 2 1 368.865 0.915 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000659744186 493282455 /nfs/dbraw/zinc/28/24/55/493282455.db2.gz RBWVAGIMIPTXRR-RTUIKWQQSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000659744186 493282457 /nfs/dbraw/zinc/28/24/57/493282457.db2.gz RBWVAGIMIPTXRR-RTUIKWQQSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)CCCO1 ZINC000673044034 493284012 /nfs/dbraw/zinc/28/40/12/493284012.db2.gz WHBYGZBUJVWLDW-INIZCTEOSA-N 2 1 356.511 0.585 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCCO1 ZINC000673044034 493284015 /nfs/dbraw/zinc/28/40/15/493284015.db2.gz WHBYGZBUJVWLDW-INIZCTEOSA-N 2 1 356.511 0.585 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCCO1 ZINC000673044034 493284018 /nfs/dbraw/zinc/28/40/18/493284018.db2.gz WHBYGZBUJVWLDW-INIZCTEOSA-N 2 1 356.511 0.585 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000659913053 493302018 /nfs/dbraw/zinc/30/20/18/493302018.db2.gz SAKLFJRVDBZSDA-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC000660163338 493331444 /nfs/dbraw/zinc/33/14/44/493331444.db2.gz ODNRHSZCLPBNPJ-JKSUJKDBSA-N 2 1 359.474 0.671 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC000660163338 493331446 /nfs/dbraw/zinc/33/14/46/493331446.db2.gz ODNRHSZCLPBNPJ-JKSUJKDBSA-N 2 1 359.474 0.671 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000668526237 493371046 /nfs/dbraw/zinc/37/10/46/493371046.db2.gz BQXKZIIPNZGZRU-CXAGYDPISA-N 2 1 356.536 0.529 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538065 493372841 /nfs/dbraw/zinc/37/28/41/493372841.db2.gz SHWUJDKNAUPNJX-INIZCTEOSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000668584450 493379539 /nfs/dbraw/zinc/37/95/39/493379539.db2.gz CULXDOTYPZZEPT-GVDBMIGSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](CN4CCCC4=O)C3)cn2)CC1 ZINC000668716588 493401043 /nfs/dbraw/zinc/40/10/43/493401043.db2.gz AUYBGKYSHZDIOH-INIZCTEOSA-N 2 1 358.490 0.673 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CN4CCCC4=O)C3)cn2)CC1 ZINC000668716588 493401047 /nfs/dbraw/zinc/40/10/47/493401047.db2.gz AUYBGKYSHZDIOH-INIZCTEOSA-N 2 1 358.490 0.673 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](CN4CCCC4=O)C3)cn2)CC1 ZINC000668716589 493401243 /nfs/dbraw/zinc/40/12/43/493401243.db2.gz AUYBGKYSHZDIOH-MRXNPFEDSA-N 2 1 358.490 0.673 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CN4CCCC4=O)C3)cn2)CC1 ZINC000668716589 493401245 /nfs/dbraw/zinc/40/12/45/493401245.db2.gz AUYBGKYSHZDIOH-MRXNPFEDSA-N 2 1 358.490 0.673 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668777300 493409124 /nfs/dbraw/zinc/40/91/24/493409124.db2.gz USJRVBBIALVYSU-HOCLYGCPSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668796009 493412831 /nfs/dbraw/zinc/41/28/31/493412831.db2.gz IWBFQPJVBVVVIU-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827074 493416658 /nfs/dbraw/zinc/41/66/58/493416658.db2.gz PPTQCVCSJGFEAX-NVXWUHKLSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000668827638 493416669 /nfs/dbraw/zinc/41/66/69/493416669.db2.gz KTCFNFZBEIIUHW-MRXNPFEDSA-N 2 1 366.506 0.348 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843690 493419860 /nfs/dbraw/zinc/41/98/60/493419860.db2.gz WISDRFUEIIKOTE-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661508788 493443097 /nfs/dbraw/zinc/44/30/97/493443097.db2.gz QHLNOAQMZQEIAI-INIZCTEOSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661598081 493449409 /nfs/dbraw/zinc/44/94/09/493449409.db2.gz ODGPNRUCBLKULX-HSFUPAIVSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661598081 493449413 /nfs/dbraw/zinc/44/94/13/493449413.db2.gz ODGPNRUCBLKULX-HSFUPAIVSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661598081 493449415 /nfs/dbraw/zinc/44/94/15/493449415.db2.gz ODGPNRUCBLKULX-HSFUPAIVSA-N 2 1 362.518 0.966 20 0 FCADMP O=C1CC[C@@H]2C[NH+](CCCC[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661600796 493449785 /nfs/dbraw/zinc/44/97/85/493449785.db2.gz JRWIJPISOOZMRL-MHORFTMASA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[N@H+](CCCC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661600796 493449787 /nfs/dbraw/zinc/44/97/87/493449787.db2.gz JRWIJPISOOZMRL-MHORFTMASA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[N@@H+](CCCC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661600796 493449790 /nfs/dbraw/zinc/44/97/90/493449790.db2.gz JRWIJPISOOZMRL-MHORFTMASA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[N@@H+](CCCC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661600798 493449984 /nfs/dbraw/zinc/44/99/84/493449984.db2.gz JRWIJPISOOZMRL-USTZCAOPSA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[NH+](CCCC[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661600798 493449987 /nfs/dbraw/zinc/44/99/87/493449987.db2.gz JRWIJPISOOZMRL-USTZCAOPSA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[NH+](CCCC[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661600798 493449989 /nfs/dbraw/zinc/44/99/89/493449989.db2.gz JRWIJPISOOZMRL-USTZCAOPSA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[NH+](CCCC[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661600795 493450195 /nfs/dbraw/zinc/45/01/95/493450195.db2.gz JRWIJPISOOZMRL-BDXSIMOUSA-N 2 1 362.518 0.968 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000661662977 493456162 /nfs/dbraw/zinc/45/61/62/493456162.db2.gz JFXBBXAHCYZTOT-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000669132016 493466375 /nfs/dbraw/zinc/46/63/75/493466375.db2.gz WPWNQVYHLCYJNQ-PMPSAXMXSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000669132016 493466376 /nfs/dbraw/zinc/46/63/76/493466376.db2.gz WPWNQVYHLCYJNQ-PMPSAXMXSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000669132016 493466380 /nfs/dbraw/zinc/46/63/80/493466380.db2.gz WPWNQVYHLCYJNQ-PMPSAXMXSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000669132016 493466383 /nfs/dbraw/zinc/46/63/83/493466383.db2.gz WPWNQVYHLCYJNQ-PMPSAXMXSA-N 2 1 362.478 0.355 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000685305265 493473672 /nfs/dbraw/zinc/47/36/72/493473672.db2.gz SWZBRNLYSLEHDJ-PBHICJAKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000685305273 493473827 /nfs/dbraw/zinc/47/38/27/493473827.db2.gz SWZBRNLYSLEHDJ-YOEHRIQHSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336573 493477643 /nfs/dbraw/zinc/47/76/43/493477643.db2.gz GRUNROQJYMQCSI-IRXDYDNUSA-N 2 1 370.538 0.648 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336573 493477644 /nfs/dbraw/zinc/47/76/44/493477644.db2.gz GRUNROQJYMQCSI-IRXDYDNUSA-N 2 1 370.538 0.648 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000669224007 493479370 /nfs/dbraw/zinc/47/93/70/493479370.db2.gz QEKDEMCYNVHYOK-KRWDZBQOSA-N 2 1 364.465 0.974 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000685341135 493480864 /nfs/dbraw/zinc/48/08/64/493480864.db2.gz GNPQMVJVNFKIKL-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000685341135 493480865 /nfs/dbraw/zinc/48/08/65/493480865.db2.gz GNPQMVJVNFKIKL-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000685341135 493480868 /nfs/dbraw/zinc/48/08/68/493480868.db2.gz GNPQMVJVNFKIKL-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000685341135 493480869 /nfs/dbraw/zinc/48/08/69/493480869.db2.gz GNPQMVJVNFKIKL-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342711 493481334 /nfs/dbraw/zinc/48/13/34/493481334.db2.gz LFCLQNBASUXYJA-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342711 493481336 /nfs/dbraw/zinc/48/13/36/493481336.db2.gz LFCLQNBASUXYJA-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342711 493481338 /nfs/dbraw/zinc/48/13/38/493481338.db2.gz LFCLQNBASUXYJA-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342711 493481340 /nfs/dbraw/zinc/48/13/40/493481340.db2.gz LFCLQNBASUXYJA-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252447 493483263 /nfs/dbraw/zinc/48/32/63/493483263.db2.gz LMJXWXBMGUSFEE-HOTGVXAUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000669252447 493483265 /nfs/dbraw/zinc/48/32/65/493483265.db2.gz LMJXWXBMGUSFEE-HOTGVXAUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000669252447 493483269 /nfs/dbraw/zinc/48/32/69/493483269.db2.gz LMJXWXBMGUSFEE-HOTGVXAUSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000669285562 493489610 /nfs/dbraw/zinc/48/96/10/493489610.db2.gz BRULUOXSCNFGFJ-KRWDZBQOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662261678 493500586 /nfs/dbraw/zinc/50/05/86/493500586.db2.gz MIBNQMGNTAOALG-KZNAEPCWSA-N 2 1 364.534 0.820 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262515 493501818 /nfs/dbraw/zinc/50/18/18/493501818.db2.gz VWHBHAZZALTTST-RDJZCZTQSA-N 2 1 350.507 0.572 20 0 FCADMP CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662287371 493503330 /nfs/dbraw/zinc/50/33/30/493503330.db2.gz YYALLGQKJLWGFP-UHFFFAOYSA-N 2 1 369.487 0.513 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669444089 493504316 /nfs/dbraw/zinc/50/43/16/493504316.db2.gz YOIJXFYDSFVNSS-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295193 493504835 /nfs/dbraw/zinc/50/48/35/493504835.db2.gz FVKHCKPWSHZHGA-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295193 493504838 /nfs/dbraw/zinc/50/48/38/493504838.db2.gz FVKHCKPWSHZHGA-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000669486293 493506483 /nfs/dbraw/zinc/50/64/83/493506483.db2.gz SXALZXAHDGFCPU-YVSFHVDLSA-N 2 1 356.511 0.881 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000669486555 493506970 /nfs/dbraw/zinc/50/69/70/493506970.db2.gz YOIRNYNBEUTNPE-KZNAEPCWSA-N 2 1 367.538 0.457 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494896 493507281 /nfs/dbraw/zinc/50/72/81/493507281.db2.gz UISGSYQTENDDIF-RYQLBKOJSA-N 2 1 362.474 0.564 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494896 493507283 /nfs/dbraw/zinc/50/72/83/493507283.db2.gz UISGSYQTENDDIF-RYQLBKOJSA-N 2 1 362.474 0.564 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1=CC[NH2+]CC1 ZINC000669488042 493507383 /nfs/dbraw/zinc/50/73/83/493507383.db2.gz DSONGEYJDYURIA-MRXNPFEDSA-N 2 1 358.490 0.811 20 0 FCADMP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337599 493507398 /nfs/dbraw/zinc/50/73/98/493507398.db2.gz LUOQFZRUUKUXTM-SJORKVTESA-N 2 1 362.522 0.719 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675898321 493510915 /nfs/dbraw/zinc/51/09/15/493510915.db2.gz MMWKZAPYRLMYIE-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675898321 493510918 /nfs/dbraw/zinc/51/09/18/493510918.db2.gz MMWKZAPYRLMYIE-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)CCO1 ZINC000662410392 493514250 /nfs/dbraw/zinc/51/42/50/493514250.db2.gz ZDCAEKDAKVDLFK-AWEZNQCLSA-N 2 1 358.446 0.388 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)CCO1 ZINC000662410392 493514252 /nfs/dbraw/zinc/51/42/52/493514252.db2.gz ZDCAEKDAKVDLFK-AWEZNQCLSA-N 2 1 358.446 0.388 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000662532324 493524143 /nfs/dbraw/zinc/52/41/43/493524143.db2.gz QBVNKBIGSYPDRH-IHETXDGRSA-N 2 1 363.506 0.599 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000662532324 493524144 /nfs/dbraw/zinc/52/41/44/493524144.db2.gz QBVNKBIGSYPDRH-IHETXDGRSA-N 2 1 363.506 0.599 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662659325 493530418 /nfs/dbraw/zinc/53/04/18/493530418.db2.gz SBKFJMHMMNBDCB-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662683226 493531656 /nfs/dbraw/zinc/53/16/56/493531656.db2.gz XMZRGFHJYMGMRN-HNNXBMFYSA-N 2 1 364.412 0.635 20 0 FCADMP CC1(C)CC[NH2+][C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662709918 493533829 /nfs/dbraw/zinc/53/38/29/493533829.db2.gz VALIQSPZIMPNFO-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000662717629 493534346 /nfs/dbraw/zinc/53/43/46/493534346.db2.gz QBWCOCQHVOWALH-DJIMGWMZSA-N 2 1 362.478 0.264 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662726539 493535425 /nfs/dbraw/zinc/53/54/25/493535425.db2.gz JVRQNVJDZHDKEP-CQSZACIVSA-N 2 1 350.385 0.197 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662801553 493543368 /nfs/dbraw/zinc/54/33/68/493543368.db2.gz WEUGYJZUEVNOCJ-MSOLQXFVSA-N 2 1 360.458 0.653 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc(F)cc3F)C2)nn1 ZINC000662813572 493544226 /nfs/dbraw/zinc/54/42/26/493544226.db2.gz KXRZGXSLQMMBHH-SWLSCSKDSA-N 2 1 350.373 0.879 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662819507 493544999 /nfs/dbraw/zinc/54/49/99/493544999.db2.gz LASDUYFFHMBWRH-HNNXBMFYSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000662895546 493550268 /nfs/dbraw/zinc/55/02/68/493550268.db2.gz FREMEJILNQCLEC-IKGGRYGDSA-N 2 1 366.506 0.286 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946841 493558955 /nfs/dbraw/zinc/55/89/55/493558955.db2.gz DEENMCNPEMHWPG-MOPGFXCFSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662950028 493559398 /nfs/dbraw/zinc/55/93/98/493559398.db2.gz FMQPKBJSSSYQCG-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000662949956 493559456 /nfs/dbraw/zinc/55/94/56/493559456.db2.gz ZPWXONOOPAZFNJ-QZTJIDSGSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000662947995 493559507 /nfs/dbraw/zinc/55/95/07/493559507.db2.gz DVPZSCFAKXZUNA-QZTJIDSGSA-N 2 1 358.486 0.712 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662951081 493559808 /nfs/dbraw/zinc/55/98/08/493559808.db2.gz HYERNXVLSGPFEV-RBUKOAKNSA-N 2 1 372.513 0.830 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000662951547 493559987 /nfs/dbraw/zinc/55/99/87/493559987.db2.gz LSNDDAHCRGJTJE-NQIIRXRSSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000662953549 493560099 /nfs/dbraw/zinc/56/00/99/493560099.db2.gz KHAKSASESKBNSK-MSOLQXFVSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662950530 493560112 /nfs/dbraw/zinc/56/01/12/493560112.db2.gz MRBNFLBHGRIRFM-NEWSRXKRSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000662984440 493563804 /nfs/dbraw/zinc/56/38/04/493563804.db2.gz RHKPULKWWDJEDY-PVAVHDDUSA-N 2 1 350.507 0.763 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662981311 493563871 /nfs/dbraw/zinc/56/38/71/493563871.db2.gz PICLHGSUFYYZDE-CABCVRRESA-N 2 1 354.495 0.141 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085094 493570235 /nfs/dbraw/zinc/57/02/35/493570235.db2.gz MALIYYAVPRHFLR-PBHICJAKSA-N 2 1 362.474 0.830 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085094 493570238 /nfs/dbraw/zinc/57/02/38/493570238.db2.gz MALIYYAVPRHFLR-PBHICJAKSA-N 2 1 362.474 0.830 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670471596 493570568 /nfs/dbraw/zinc/57/05/68/493570568.db2.gz UOEKMOAKQZIHNU-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670471596 493570569 /nfs/dbraw/zinc/57/05/69/493570569.db2.gz UOEKMOAKQZIHNU-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000670545881 493579094 /nfs/dbraw/zinc/57/90/94/493579094.db2.gz JNCVFESBZWNYKV-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546692 493579472 /nfs/dbraw/zinc/57/94/72/493579472.db2.gz BFNZTEGVQLBJEW-CABCVRRESA-N 2 1 359.474 0.544 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546692 493579474 /nfs/dbraw/zinc/57/94/74/493579474.db2.gz BFNZTEGVQLBJEW-CABCVRRESA-N 2 1 359.474 0.544 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000670545883 493579498 /nfs/dbraw/zinc/57/94/98/493579498.db2.gz JNCVFESBZWNYKV-INMHGKMJSA-N 2 1 366.506 0.297 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670709367 493589621 /nfs/dbraw/zinc/58/96/21/493589621.db2.gz OTKDYOHWUTXAEA-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479684 493591442 /nfs/dbraw/zinc/59/14/42/493591442.db2.gz JTIYGVZADOMUOF-QZTJIDSGSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479684 493591446 /nfs/dbraw/zinc/59/14/46/493591446.db2.gz JTIYGVZADOMUOF-QZTJIDSGSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479684 493591449 /nfs/dbraw/zinc/59/14/49/493591449.db2.gz JTIYGVZADOMUOF-QZTJIDSGSA-N 2 1 368.522 0.584 20 0 FCADMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000663510716 493593791 /nfs/dbraw/zinc/59/37/91/493593791.db2.gz RBRXQCNUUSOXGK-CYBMUJFWSA-N 2 1 368.503 0.996 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000677740142 493614501 /nfs/dbraw/zinc/61/45/01/493614501.db2.gz VQVGICYKSLGWCO-BRSBDYLESA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000677787325 493615787 /nfs/dbraw/zinc/61/57/87/493615787.db2.gz CXKMLBGEOVZEMB-MOPGFXCFSA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000677787325 493615788 /nfs/dbraw/zinc/61/57/88/493615788.db2.gz CXKMLBGEOVZEMB-MOPGFXCFSA-N 2 1 360.502 0.233 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000663785693 493618241 /nfs/dbraw/zinc/61/82/41/493618241.db2.gz KPNTUSMDWDDACQ-UHFFFAOYSA-N 2 1 363.506 0.780 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670990277 493621385 /nfs/dbraw/zinc/62/13/85/493621385.db2.gz PJQUUWFNIPIGKJ-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670990277 493621389 /nfs/dbraw/zinc/62/13/89/493621389.db2.gz PJQUUWFNIPIGKJ-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670990277 493621390 /nfs/dbraw/zinc/62/13/90/493621390.db2.gz PJQUUWFNIPIGKJ-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670990277 493621393 /nfs/dbraw/zinc/62/13/93/493621393.db2.gz PJQUUWFNIPIGKJ-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962136 493627155 /nfs/dbraw/zinc/62/71/55/493627155.db2.gz KUTCGMPWADLUNP-FGTMMUONSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962136 493627156 /nfs/dbraw/zinc/62/71/56/493627156.db2.gz KUTCGMPWADLUNP-FGTMMUONSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962136 493627157 /nfs/dbraw/zinc/62/71/57/493627157.db2.gz KUTCGMPWADLUNP-FGTMMUONSA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962138 493627218 /nfs/dbraw/zinc/62/72/18/493627218.db2.gz KUTCGMPWADLUNP-SQNIBIBYSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962138 493627220 /nfs/dbraw/zinc/62/72/20/493627220.db2.gz KUTCGMPWADLUNP-SQNIBIBYSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000677962138 493627221 /nfs/dbraw/zinc/62/72/21/493627221.db2.gz KUTCGMPWADLUNP-SQNIBIBYSA-N 2 1 367.538 0.517 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981209 493628662 /nfs/dbraw/zinc/62/86/62/493628662.db2.gz ZLJJLYCSBWHWPB-FHWLQOOXSA-N 2 1 360.502 0.867 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105860 493634710 /nfs/dbraw/zinc/63/47/10/493634710.db2.gz VJGNGFGIVZJUPP-NVXWUHKLSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105860 493634712 /nfs/dbraw/zinc/63/47/12/493634712.db2.gz VJGNGFGIVZJUPP-NVXWUHKLSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000664394780 493657312 /nfs/dbraw/zinc/65/73/12/493657312.db2.gz CXUNDQFHKGUBHE-INIZCTEOSA-N 2 1 355.527 0.626 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671365589 493660622 /nfs/dbraw/zinc/66/06/22/493660622.db2.gz AMEFNEKZNSCOLY-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671365589 493660624 /nfs/dbraw/zinc/66/06/24/493660624.db2.gz AMEFNEKZNSCOLY-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN([C@H]3CCOC3)CC2)CCCO1 ZINC000664758270 493681935 /nfs/dbraw/zinc/68/19/35/493681935.db2.gz NTPNZPPSBJLQPA-SJORKVTESA-N 2 1 354.495 0.603 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000679509727 493685039 /nfs/dbraw/zinc/68/50/39/493685039.db2.gz PWKSLSAFEJYMPO-QWHCGFSZSA-N 2 1 354.414 0.947 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000679509727 493685040 /nfs/dbraw/zinc/68/50/40/493685040.db2.gz PWKSLSAFEJYMPO-QWHCGFSZSA-N 2 1 354.414 0.947 20 0 FCADMP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679509571 493685258 /nfs/dbraw/zinc/68/52/58/493685258.db2.gz NXCXKBUOHMJNSK-UHFFFAOYSA-N 2 1 372.429 0.433 20 0 FCADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000679723288 493693047 /nfs/dbraw/zinc/69/30/47/493693047.db2.gz LRYQGRDRRQPMEP-INIZCTEOSA-N 2 1 350.463 0.863 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000680005596 493704874 /nfs/dbraw/zinc/70/48/74/493704874.db2.gz FNLJMCGNTRZAJP-HNNXBMFYSA-N 2 1 362.474 0.885 20 0 FCADMP CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665639885 493729309 /nfs/dbraw/zinc/72/93/09/493729309.db2.gz HSGKNJGAQFJVIN-HOTGVXAUSA-N 2 1 355.527 0.959 20 0 FCADMP CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665639885 493729311 /nfs/dbraw/zinc/72/93/11/493729311.db2.gz HSGKNJGAQFJVIN-HOTGVXAUSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099056 493735524 /nfs/dbraw/zinc/73/55/24/493735524.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099056 493735526 /nfs/dbraw/zinc/73/55/26/493735526.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099056 493735529 /nfs/dbraw/zinc/73/55/29/493735529.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672099056 493735531 /nfs/dbraw/zinc/73/55/31/493735531.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672099056 493735533 /nfs/dbraw/zinc/73/55/33/493735533.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000672166104 493740110 /nfs/dbraw/zinc/74/01/10/493740110.db2.gz RZXFQNNBCMXOBZ-PBHICJAKSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000666239013 493763756 /nfs/dbraw/zinc/76/37/56/493763756.db2.gz MUMBWALSGQFJSW-MRXNPFEDSA-N 2 1 350.467 0.508 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C[C@H](C)O1 ZINC000187300601 534466746 /nfs/dbraw/zinc/46/67/46/534466746.db2.gz MATMBKGSJXIWLS-YESZJQIVSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C[C@H](C)O1 ZINC000187300601 534466756 /nfs/dbraw/zinc/46/67/56/534466756.db2.gz MATMBKGSJXIWLS-YESZJQIVSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@H](C)O1 ZINC000187300601 534466766 /nfs/dbraw/zinc/46/67/66/534466766.db2.gz MATMBKGSJXIWLS-YESZJQIVSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@H](C)O1 ZINC000187300002 534467367 /nfs/dbraw/zinc/46/73/67/534467367.db2.gz ONPCEVOVIQHBQQ-YESZJQIVSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H](C)O1 ZINC000187300002 534467371 /nfs/dbraw/zinc/46/73/71/534467371.db2.gz ONPCEVOVIQHBQQ-YESZJQIVSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H](C)O1 ZINC000187300002 534467377 /nfs/dbraw/zinc/46/73/77/534467377.db2.gz ONPCEVOVIQHBQQ-YESZJQIVSA-N 2 1 370.538 0.972 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937386 527804375 /nfs/dbraw/zinc/80/43/75/527804375.db2.gz KLYYFMAWMWEHIJ-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937386 527804377 /nfs/dbraw/zinc/80/43/77/527804377.db2.gz KLYYFMAWMWEHIJ-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937386 527804381 /nfs/dbraw/zinc/80/43/81/527804381.db2.gz KLYYFMAWMWEHIJ-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410937386 527804383 /nfs/dbraw/zinc/80/43/83/527804383.db2.gz KLYYFMAWMWEHIJ-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733431 527816795 /nfs/dbraw/zinc/81/67/95/527816795.db2.gz VAXJSIGIIJAGMA-YESZJQIVSA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733431 527816804 /nfs/dbraw/zinc/81/68/04/527816804.db2.gz VAXJSIGIIJAGMA-YESZJQIVSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733431 527816808 /nfs/dbraw/zinc/81/68/08/527816808.db2.gz VAXJSIGIIJAGMA-YESZJQIVSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733431 527816814 /nfs/dbraw/zinc/81/68/14/527816814.db2.gz VAXJSIGIIJAGMA-YESZJQIVSA-N 2 1 352.523 0.974 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000410698454 527828382 /nfs/dbraw/zinc/82/83/82/527828382.db2.gz NPKAHRVROVJSMA-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000410698454 527828388 /nfs/dbraw/zinc/82/83/88/527828388.db2.gz NPKAHRVROVJSMA-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000410698454 527828394 /nfs/dbraw/zinc/82/83/94/527828394.db2.gz NPKAHRVROVJSMA-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000410698454 527828397 /nfs/dbraw/zinc/82/83/97/527828397.db2.gz NPKAHRVROVJSMA-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000410693407 527844843 /nfs/dbraw/zinc/84/48/43/527844843.db2.gz AHSAJWAMLSDRCN-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000410693407 527844846 /nfs/dbraw/zinc/84/48/46/527844846.db2.gz AHSAJWAMLSDRCN-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000410693407 527844853 /nfs/dbraw/zinc/84/48/53/527844853.db2.gz AHSAJWAMLSDRCN-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000410693407 527844855 /nfs/dbraw/zinc/84/48/55/527844855.db2.gz AHSAJWAMLSDRCN-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000410781336 528248266 /nfs/dbraw/zinc/24/82/66/528248266.db2.gz BUOOADPRRIZGNB-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410809077 528434311 /nfs/dbraw/zinc/43/43/11/528434311.db2.gz LPBYJRBNHFWJLS-UHFFFAOYSA-N 2 1 354.495 0.110 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410802728 528445733 /nfs/dbraw/zinc/44/57/33/528445733.db2.gz RDLBJABJNLURAN-CALCHBBNSA-N 2 1 368.522 0.234 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410802728 528445736 /nfs/dbraw/zinc/44/57/36/528445736.db2.gz RDLBJABJNLURAN-CALCHBBNSA-N 2 1 368.522 0.234 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413213381 528456585 /nfs/dbraw/zinc/45/65/85/528456585.db2.gz ZXSGVYTWEDBFCV-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410704126 528738819 /nfs/dbraw/zinc/73/88/19/528738819.db2.gz YVUREPWFXDOLDQ-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410704126 528738823 /nfs/dbraw/zinc/73/88/23/528738823.db2.gz YVUREPWFXDOLDQ-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000410433953 529030589 /nfs/dbraw/zinc/03/05/89/529030589.db2.gz MUHSKKVBWSONBV-INIZCTEOSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031258 529057821 /nfs/dbraw/zinc/05/78/21/529057821.db2.gz SLFXIRNNIXEDIX-APWZRJJASA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031258 529057822 /nfs/dbraw/zinc/05/78/22/529057822.db2.gz SLFXIRNNIXEDIX-APWZRJJASA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031258 529057824 /nfs/dbraw/zinc/05/78/24/529057824.db2.gz SLFXIRNNIXEDIX-APWZRJJASA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795831 529071282 /nfs/dbraw/zinc/07/12/82/529071282.db2.gz SOHBIMPCQQNSLQ-OWCLPIDISA-N 2 1 354.495 0.996 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419250622 535068338 /nfs/dbraw/zinc/06/83/38/535068338.db2.gz ZISZAFMRWMENJU-GXTWGEPZSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419250622 535068345 /nfs/dbraw/zinc/06/83/45/535068345.db2.gz ZISZAFMRWMENJU-GXTWGEPZSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419698581 535071913 /nfs/dbraw/zinc/07/19/13/535071913.db2.gz PVONFDVJTRUNSV-OAGGEKHMSA-N 2 1 368.522 0.842 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140567 535115812 /nfs/dbraw/zinc/11/58/12/535115812.db2.gz SNAQWLKCVYPUNW-CABCVRRESA-N 2 1 350.467 0.289 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423642443 535186105 /nfs/dbraw/zinc/18/61/05/535186105.db2.gz BWONWUAZMXEDKX-INIZCTEOSA-N 2 1 361.490 0.802 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419771664 535297013 /nfs/dbraw/zinc/29/70/13/535297013.db2.gz YHJYJLHRHBSEBJ-DOTOQJQBSA-N 2 1 364.465 0.927 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000423533991 535426050 /nfs/dbraw/zinc/42/60/50/535426050.db2.gz ZCIGBTDEENNMME-XHSDSOJGSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[N@H+]1CCOC ZINC000423533991 535426053 /nfs/dbraw/zinc/42/60/53/535426053.db2.gz ZCIGBTDEENNMME-XHSDSOJGSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423522820 535426176 /nfs/dbraw/zinc/42/61/76/535426176.db2.gz HQBKRVBBXVPWGR-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423522820 535426177 /nfs/dbraw/zinc/42/61/77/535426177.db2.gz HQBKRVBBXVPWGR-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419577972 535478027 /nfs/dbraw/zinc/47/80/27/535478027.db2.gz DLMBMYUJZHBJHT-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000415179731 535479326 /nfs/dbraw/zinc/47/93/26/535479326.db2.gz DULWJSNSIYMQEN-HNNXBMFYSA-N 2 1 362.474 0.650 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419209508 535509953 /nfs/dbraw/zinc/50/99/53/535509953.db2.gz BMUNUZMZVQLDKJ-OLZOCXBDSA-N 2 1 352.504 0.725 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419209508 535509955 /nfs/dbraw/zinc/50/99/55/535509955.db2.gz BMUNUZMZVQLDKJ-OLZOCXBDSA-N 2 1 352.504 0.725 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860235 535594614 /nfs/dbraw/zinc/59/46/14/535594614.db2.gz KRCWEYSHQZYXNF-ZWKOTPCHSA-N 2 1 373.501 0.748 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846085 535596666 /nfs/dbraw/zinc/59/66/66/535596666.db2.gz RALJRHKPVJASSG-MSOLQXFVSA-N 2 1 373.501 0.763 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896496 535597208 /nfs/dbraw/zinc/59/72/08/535597208.db2.gz XSKWGIPFJRAQOW-SJORKVTESA-N 2 1 359.474 0.373 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC[N@@H+]1CCOC ZINC000423587655 535733822 /nfs/dbraw/zinc/73/38/22/535733822.db2.gz FKDXZDZNODZHOP-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC[N@H+]1CCOC ZINC000423587655 535733826 /nfs/dbraw/zinc/73/38/26/535733826.db2.gz FKDXZDZNODZHOP-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H]1C ZINC000423391138 535774542 /nfs/dbraw/zinc/77/45/42/535774542.db2.gz PJJNBZYYTQYLHX-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H]1C ZINC000423391138 535774545 /nfs/dbraw/zinc/77/45/45/535774545.db2.gz PJJNBZYYTQYLHX-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419853755 536103643 /nfs/dbraw/zinc/10/36/43/536103643.db2.gz AYPMUPQLCNREJC-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419853755 536103648 /nfs/dbraw/zinc/10/36/48/536103648.db2.gz AYPMUPQLCNREJC-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423794007 536336644 /nfs/dbraw/zinc/33/66/44/536336644.db2.gz XIZAXTFJQKLQLE-GOEBONIOSA-N 2 1 363.462 0.517 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419176166 536368635 /nfs/dbraw/zinc/36/86/35/536368635.db2.gz YWBNVPCACRJQFU-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419231269 536417040 /nfs/dbraw/zinc/41/70/40/536417040.db2.gz JORYPPMZQKMXSX-JSGCOSHPSA-N 2 1 350.488 0.431 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419231269 536417042 /nfs/dbraw/zinc/41/70/42/536417042.db2.gz JORYPPMZQKMXSX-JSGCOSHPSA-N 2 1 350.488 0.431 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423311911 536433069 /nfs/dbraw/zinc/43/30/69/536433069.db2.gz UQGNXRLXMBYBCM-GBESFXJTSA-N 2 1 370.497 0.645 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000419843773 536460636 /nfs/dbraw/zinc/46/06/36/536460636.db2.gz BGCXWGUEILDNRM-SJORKVTESA-N 2 1 359.474 0.230 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423721120 536775625 /nfs/dbraw/zinc/77/56/25/536775625.db2.gz ONZCZOVUTCHGAP-HNNXBMFYSA-N 2 1 356.511 0.389 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000418853923 537107972 /nfs/dbraw/zinc/10/79/72/537107972.db2.gz SQGLZOMKWMOVPG-ORQFMDKSSA-N 2 1 374.485 0.610 20 0 FCADMP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164656 546549313 /nfs/dbraw/zinc/54/93/13/546549313.db2.gz GYTRSGLOEZRHNQ-HOTGVXAUSA-N 2 1 367.519 0.790 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000080065126 546568707 /nfs/dbraw/zinc/56/87/07/546568707.db2.gz MIHZSMMGFHZVNC-KRWDZBQOSA-N 2 1 356.511 0.753 20 0 FCADMP COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000592472289 546650906 /nfs/dbraw/zinc/65/09/06/546650906.db2.gz TYXCBHHZECBXQR-AWEZNQCLSA-N 2 1 366.487 0.477 20 0 FCADMP COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000592472289 546650911 /nfs/dbraw/zinc/65/09/11/546650911.db2.gz TYXCBHHZECBXQR-AWEZNQCLSA-N 2 1 366.487 0.477 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000174715096 546902638 /nfs/dbraw/zinc/90/26/38/546902638.db2.gz JPWIOQHDOQPLEM-UHFFFAOYSA-N 2 1 351.495 0.420 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152398420 546917243 /nfs/dbraw/zinc/91/72/43/546917243.db2.gz FACIFANYASOTCA-WBVHZDCISA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152398420 546917246 /nfs/dbraw/zinc/91/72/46/546917246.db2.gz FACIFANYASOTCA-WBVHZDCISA-N 2 1 356.511 0.848 20 0 FCADMP CC[C@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@@H+]1CCOC ZINC000433405210 546922139 /nfs/dbraw/zinc/92/21/39/546922139.db2.gz DFWFLSFVTJBBJL-GJZGRUSLSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@H+]1CCOC ZINC000433405210 546922144 /nfs/dbraw/zinc/92/21/44/546922144.db2.gz DFWFLSFVTJBBJL-GJZGRUSLSA-N 2 1 350.467 0.385 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000641803829 546959529 /nfs/dbraw/zinc/95/95/29/546959529.db2.gz IBPGVUDLQFHVIK-RBSFLKMASA-N 2 1 357.520 0.660 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(F)cc1 ZINC000641801887 546959749 /nfs/dbraw/zinc/95/97/49/546959749.db2.gz GLVYZWICVJRUJM-NILFDRSVSA-N 2 1 350.438 0.835 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000545176124 547030786 /nfs/dbraw/zinc/03/07/86/547030786.db2.gz JOHXOHKSCSSJCE-GOSISDBHSA-N 2 1 354.495 0.387 20 0 FCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884095 547034943 /nfs/dbraw/zinc/03/49/43/547034943.db2.gz LRXIXWGAGAZPHE-SUMWQHHRSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884095 547034946 /nfs/dbraw/zinc/03/49/46/547034946.db2.gz LRXIXWGAGAZPHE-SUMWQHHRSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000545884095 547034949 /nfs/dbraw/zinc/03/49/49/547034949.db2.gz LRXIXWGAGAZPHE-SUMWQHHRSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000545884095 547034953 /nfs/dbraw/zinc/03/49/53/547034953.db2.gz LRXIXWGAGAZPHE-SUMWQHHRSA-N 2 1 352.504 0.861 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549940995 547075811 /nfs/dbraw/zinc/07/58/11/547075811.db2.gz RFRLFXVNHYAUCX-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000549966120 547075822 /nfs/dbraw/zinc/07/58/22/547075822.db2.gz YJFAZQUYSAIYOB-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000550096657 547077106 /nfs/dbraw/zinc/07/71/06/547077106.db2.gz KYMPOAXWDQELHU-INIZCTEOSA-N 2 1 356.511 0.258 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000550097057 547077868 /nfs/dbraw/zinc/07/78/68/547077868.db2.gz RZJTYIHJAQVXQY-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502468 547089677 /nfs/dbraw/zinc/08/96/77/547089677.db2.gz PCACTTPMZFIIDD-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502467 547089685 /nfs/dbraw/zinc/08/96/85/547089685.db2.gz PCACTTPMZFIIDD-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550658346 547094654 /nfs/dbraw/zinc/09/46/54/547094654.db2.gz JWADJXPBASADIM-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000550840958 547110902 /nfs/dbraw/zinc/11/09/02/547110902.db2.gz XXBKAQOWWKWLKW-VKJFTORMSA-N 2 1 370.563 0.871 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000550903529 547113898 /nfs/dbraw/zinc/11/38/98/547113898.db2.gz ZKFBYSYYEIDLNU-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000550903529 547113901 /nfs/dbraw/zinc/11/39/01/547113901.db2.gz ZKFBYSYYEIDLNU-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000550903529 547113905 /nfs/dbraw/zinc/11/39/05/547113905.db2.gz ZKFBYSYYEIDLNU-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550903011 547113912 /nfs/dbraw/zinc/11/39/12/547113912.db2.gz PSSRRPKAKGQJEL-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903875 547114445 /nfs/dbraw/zinc/11/44/45/547114445.db2.gz LARHLENHJVOUFE-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550903875 547114453 /nfs/dbraw/zinc/11/44/53/547114453.db2.gz LARHLENHJVOUFE-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550903875 547114459 /nfs/dbraw/zinc/11/44/59/547114459.db2.gz LARHLENHJVOUFE-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000551217971 547135367 /nfs/dbraw/zinc/13/53/67/547135367.db2.gz ZSNXHMGDHVUYPJ-RKVPGOIHSA-N 2 1 370.563 0.777 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278637 547138771 /nfs/dbraw/zinc/13/87/71/547138771.db2.gz SUNCQULNCJQMLE-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278637 547138777 /nfs/dbraw/zinc/13/87/77/547138777.db2.gz SUNCQULNCJQMLE-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278637 547138784 /nfs/dbraw/zinc/13/87/84/547138784.db2.gz SUNCQULNCJQMLE-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284154 547139793 /nfs/dbraw/zinc/13/97/93/547139793.db2.gz JAADTIPLDMGDFX-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000553037942 547248946 /nfs/dbraw/zinc/24/89/46/547248946.db2.gz MLGIRJBDMDFTPW-ZBFHGGJFSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000553394429 547274983 /nfs/dbraw/zinc/27/49/83/547274983.db2.gz OVULHAYNLXWCNG-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000553394429 547274987 /nfs/dbraw/zinc/27/49/87/547274987.db2.gz OVULHAYNLXWCNG-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000553394429 547274989 /nfs/dbraw/zinc/27/49/89/547274989.db2.gz OVULHAYNLXWCNG-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000553699623 547300379 /nfs/dbraw/zinc/30/03/79/547300379.db2.gz BBJBFGVXRWNMAC-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734448 547304084 /nfs/dbraw/zinc/30/40/84/547304084.db2.gz ZHRRKPNZFCOPCD-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](C[C@H](C)O)CC3)C2)CC[N@H+]1C ZINC000949098778 674394265 /nfs/dbraw/zinc/39/42/65/674394265.db2.gz DPZVZVITPRYYGD-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736573528 598463348 /nfs/dbraw/zinc/46/33/48/598463348.db2.gz ZKUJMDPFONFRBS-HNNXBMFYSA-N 2 1 372.477 0.750 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000736767328 598627205 /nfs/dbraw/zinc/62/72/05/598627205.db2.gz OTIYAOJUESDBIQ-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737837466 598761371 /nfs/dbraw/zinc/76/13/71/598761371.db2.gz HJBKHYIWEIQJMH-PHIMTYICSA-N 2 1 373.486 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000950986764 674445504 /nfs/dbraw/zinc/44/55/04/674445504.db2.gz GRXMWKOQUWYRRV-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000954415809 674497073 /nfs/dbraw/zinc/49/70/73/674497073.db2.gz FJAPCQQCNCBBBC-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000954415809 674497074 /nfs/dbraw/zinc/49/70/74/674497074.db2.gz FJAPCQQCNCBBBC-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000954415809 674497076 /nfs/dbraw/zinc/49/70/76/674497076.db2.gz FJAPCQQCNCBBBC-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000954704715 674503587 /nfs/dbraw/zinc/50/35/87/674503587.db2.gz DBOLHASIYSEUGF-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000954704715 674503589 /nfs/dbraw/zinc/50/35/89/674503589.db2.gz DBOLHASIYSEUGF-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000954704715 674503591 /nfs/dbraw/zinc/50/35/91/674503591.db2.gz DBOLHASIYSEUGF-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000956036230 674516706 /nfs/dbraw/zinc/51/67/06/674516706.db2.gz UBDJQLWQZXQRSV-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729496803 665719383 /nfs/dbraw/zinc/71/93/83/665719383.db2.gz KJNVXORUGKLPFI-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729496803 665719385 /nfs/dbraw/zinc/71/93/85/665719385.db2.gz KJNVXORUGKLPFI-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729496803 665719386 /nfs/dbraw/zinc/71/93/86/665719386.db2.gz KJNVXORUGKLPFI-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000989393877 665745380 /nfs/dbraw/zinc/74/53/80/665745380.db2.gz DYMNNBOSVDTGOF-BQJWPVKWSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000989393877 665745383 /nfs/dbraw/zinc/74/53/83/665745383.db2.gz DYMNNBOSVDTGOF-BQJWPVKWSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000989393877 665745384 /nfs/dbraw/zinc/74/53/84/665745384.db2.gz DYMNNBOSVDTGOF-BQJWPVKWSA-N 2 1 350.507 0.917 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778907 665772295 /nfs/dbraw/zinc/77/22/95/665772295.db2.gz JBXOVKYSYDAKDJ-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000897778907 665772298 /nfs/dbraw/zinc/77/22/98/665772298.db2.gz JBXOVKYSYDAKDJ-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000897778907 665772303 /nfs/dbraw/zinc/77/23/03/665772303.db2.gz JBXOVKYSYDAKDJ-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990760832 665930136 /nfs/dbraw/zinc/93/01/36/665930136.db2.gz HJCSLMPUZWKXLA-ANQUJSFKSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990760832 665930138 /nfs/dbraw/zinc/93/01/38/665930138.db2.gz HJCSLMPUZWKXLA-ANQUJSFKSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760832 665930140 /nfs/dbraw/zinc/93/01/40/665930140.db2.gz HJCSLMPUZWKXLA-ANQUJSFKSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760832 665930141 /nfs/dbraw/zinc/93/01/41/665930141.db2.gz HJCSLMPUZWKXLA-ANQUJSFKSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000899204509 665932625 /nfs/dbraw/zinc/93/26/25/665932625.db2.gz AYIXTUDBMSRGFI-LSDHHAIUSA-N 2 1 352.479 0.038 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000899204509 665932626 /nfs/dbraw/zinc/93/26/26/665932626.db2.gz AYIXTUDBMSRGFI-LSDHHAIUSA-N 2 1 352.479 0.038 20 0 FCADMP COCCC1(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC[NH2+]CC1 ZINC000891339845 663352025 /nfs/dbraw/zinc/35/20/25/663352025.db2.gz GHPQEXDLLZQUBL-UHFFFAOYSA-N 2 1 355.527 0.470 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000971560555 663397701 /nfs/dbraw/zinc/39/77/01/663397701.db2.gz GVJDICFMKNDBCW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000971560555 663397703 /nfs/dbraw/zinc/39/77/03/663397703.db2.gz GVJDICFMKNDBCW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC000971560555 663397706 /nfs/dbraw/zinc/39/77/06/663397706.db2.gz GVJDICFMKNDBCW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC000971560555 663397709 /nfs/dbraw/zinc/39/77/09/663397709.db2.gz GVJDICFMKNDBCW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000971560554 663397788 /nfs/dbraw/zinc/39/77/88/663397788.db2.gz GVJDICFMKNDBCW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000971560554 663397791 /nfs/dbraw/zinc/39/77/91/663397791.db2.gz GVJDICFMKNDBCW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC000971560554 663397794 /nfs/dbraw/zinc/39/77/94/663397794.db2.gz GVJDICFMKNDBCW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC000971560554 663397796 /nfs/dbraw/zinc/39/77/96/663397796.db2.gz GVJDICFMKNDBCW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001022103077 663405175 /nfs/dbraw/zinc/40/51/75/663405175.db2.gz DSDAVPWECCQSSA-OVYGPGRDSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001022109302 663405839 /nfs/dbraw/zinc/40/58/39/663405839.db2.gz KVTVXNNEDCNGFW-VVLHAWIVSA-N 2 1 371.547 0.778 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000891514157 663410743 /nfs/dbraw/zinc/41/07/43/663410743.db2.gz MQYPKTALYJZRIR-RYUDHWBXSA-N 2 1 351.476 0.533 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000891513440 663410901 /nfs/dbraw/zinc/41/09/01/663410901.db2.gz CDFUWXLURDNTSD-MYPMTAMASA-N 2 1 351.451 0.046 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891563453 663415686 /nfs/dbraw/zinc/41/56/86/663415686.db2.gz GYTVHWLSDBRNSR-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000891598602 663417876 /nfs/dbraw/zinc/41/78/76/663417876.db2.gz VSGNFIWOWNZVTR-QGZVFWFLSA-N 2 1 355.527 0.232 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000891598602 663417877 /nfs/dbraw/zinc/41/78/77/663417877.db2.gz VSGNFIWOWNZVTR-QGZVFWFLSA-N 2 1 355.527 0.232 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC000891598602 663417878 /nfs/dbraw/zinc/41/78/78/663417878.db2.gz VSGNFIWOWNZVTR-QGZVFWFLSA-N 2 1 355.527 0.232 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781653 663428394 /nfs/dbraw/zinc/42/83/94/663428394.db2.gz LMYQPNYFOGYRAB-VNQPRFMTSA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781653 663428395 /nfs/dbraw/zinc/42/83/95/663428395.db2.gz LMYQPNYFOGYRAB-VNQPRFMTSA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781653 663428397 /nfs/dbraw/zinc/42/83/97/663428397.db2.gz LMYQPNYFOGYRAB-VNQPRFMTSA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781653 663428398 /nfs/dbraw/zinc/42/83/98/663428398.db2.gz LMYQPNYFOGYRAB-VNQPRFMTSA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC000891730792 663431527 /nfs/dbraw/zinc/43/15/27/663431527.db2.gz ZMBCODKKTKIJMN-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022423731 663447295 /nfs/dbraw/zinc/44/72/95/663447295.db2.gz IMIBDUWOPQEICU-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891953074 663454551 /nfs/dbraw/zinc/45/45/51/663454551.db2.gz MUTHECHGHLMWNM-MAUKXSAKSA-N 2 1 352.479 0.452 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891992723 663465000 /nfs/dbraw/zinc/46/50/00/663465000.db2.gz JPZGPVRQAJKESQ-KRWDZBQOSA-N 2 1 355.527 0.470 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935799775 664050569 /nfs/dbraw/zinc/05/05/69/664050569.db2.gz PQTHFEIGLSTUEH-MRXNPFEDSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973267753 664092123 /nfs/dbraw/zinc/09/21/23/664092123.db2.gz CPLWEYHJMTZEPW-WRQOLXDDSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973267753 664092125 /nfs/dbraw/zinc/09/21/25/664092125.db2.gz CPLWEYHJMTZEPW-WRQOLXDDSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973267753 664092130 /nfs/dbraw/zinc/09/21/30/664092130.db2.gz CPLWEYHJMTZEPW-WRQOLXDDSA-N 2 1 350.507 0.963 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026852932 664271397 /nfs/dbraw/zinc/27/13/97/664271397.db2.gz UHMBGKUDHDKKMR-HZSPNIEDSA-N 2 1 351.451 0.494 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026852932 664271399 /nfs/dbraw/zinc/27/13/99/664271399.db2.gz UHMBGKUDHDKKMR-HZSPNIEDSA-N 2 1 351.451 0.494 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001026913468 664276825 /nfs/dbraw/zinc/27/68/25/664276825.db2.gz ACLFGZOADWAZGL-KWCYVHTRSA-N 2 1 353.492 0.504 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC000974817223 664283502 /nfs/dbraw/zinc/28/35/02/664283502.db2.gz LDIPCMJSVGFOQR-WCXIOVBPSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027417490 664399231 /nfs/dbraw/zinc/39/92/31/664399231.db2.gz ZUNZMMFKTMHWKU-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027417490 664399234 /nfs/dbraw/zinc/39/92/34/664399234.db2.gz ZUNZMMFKTMHWKU-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027417490 664399238 /nfs/dbraw/zinc/39/92/38/664399238.db2.gz ZUNZMMFKTMHWKU-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000978990475 664452364 /nfs/dbraw/zinc/45/23/64/664452364.db2.gz UHNWKRNLOXMNCP-UUAJXVIYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000979857526 664464898 /nfs/dbraw/zinc/46/48/98/664464898.db2.gz ONDWSIAXLPTSRO-WRQOLXDDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000979857526 664464900 /nfs/dbraw/zinc/46/49/00/664464900.db2.gz ONDWSIAXLPTSRO-WRQOLXDDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000979857526 664464902 /nfs/dbraw/zinc/46/49/02/664464902.db2.gz ONDWSIAXLPTSRO-WRQOLXDDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000979992370 664468383 /nfs/dbraw/zinc/46/83/83/664468383.db2.gz IVZKGXHJHFKDJJ-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCCC2=O)CC[N@H+]1C ZINC001027893072 664472047 /nfs/dbraw/zinc/47/20/47/664472047.db2.gz LZFUZIFHLQWAEG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001027893072 664472048 /nfs/dbraw/zinc/47/20/48/664472048.db2.gz LZFUZIFHLQWAEG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001027893072 664472049 /nfs/dbraw/zinc/47/20/49/664472049.db2.gz LZFUZIFHLQWAEG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001027895497 664472828 /nfs/dbraw/zinc/47/28/28/664472828.db2.gz XAOMWVYQVTWLIK-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCn1nncc1CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027965370 664479252 /nfs/dbraw/zinc/47/92/52/664479252.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027965370 664479254 /nfs/dbraw/zinc/47/92/54/664479254.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 1 350.467 0.098 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(CC3CCS(=O)(=O)CC3)CC2)CC[N@H+]1C ZINC000981194614 664817110 /nfs/dbraw/zinc/81/71/10/664817110.db2.gz VJSFHIFBARCNBW-NVXWUHKLSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC3CCS(=O)(=O)CC3)CC2)CC[N@@H+]1C ZINC000981194614 664817113 /nfs/dbraw/zinc/81/71/13/664817113.db2.gz VJSFHIFBARCNBW-NVXWUHKLSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC3CCS(=O)(=O)CC3)CC2)CC[N@H+]1C ZINC000981194614 664817117 /nfs/dbraw/zinc/81/71/17/664817117.db2.gz VJSFHIFBARCNBW-NVXWUHKLSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC3CCS(=O)(=O)CC3)CC2)CC[NH+]1C ZINC000981194614 664817121 /nfs/dbraw/zinc/81/71/21/664817121.db2.gz VJSFHIFBARCNBW-NVXWUHKLSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC3CCS(=O)(=O)CC3)CC2)CC[NH+]1C ZINC000981194614 664817127 /nfs/dbraw/zinc/81/71/27/664817127.db2.gz VJSFHIFBARCNBW-NVXWUHKLSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N(C)C)C3)CC[N@H+]1C ZINC000981778340 664839361 /nfs/dbraw/zinc/83/93/61/664839361.db2.gz ILFANDKNDGGASV-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC000981778340 664839364 /nfs/dbraw/zinc/83/93/64/664839364.db2.gz ILFANDKNDGGASV-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC000981778340 664839369 /nfs/dbraw/zinc/83/93/69/664839369.db2.gz ILFANDKNDGGASV-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306769 664866838 /nfs/dbraw/zinc/86/68/38/664866838.db2.gz XRURXOWGRQYKPB-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306769 664866841 /nfs/dbraw/zinc/86/68/41/664866841.db2.gz XRURXOWGRQYKPB-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306769 664866844 /nfs/dbraw/zinc/86/68/44/664866844.db2.gz XRURXOWGRQYKPB-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306769 664866847 /nfs/dbraw/zinc/86/68/47/664866847.db2.gz XRURXOWGRQYKPB-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001028549514 664901445 /nfs/dbraw/zinc/90/14/45/664901445.db2.gz ABLDOYGTEJBKPA-MGPQQGTHSA-N 2 1 365.503 0.860 20 0 FCADMP COC(=O)[C@H](C)C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000726785121 664925918 /nfs/dbraw/zinc/92/59/18/664925918.db2.gz AYNNKQBYYGFJGD-GFCCVEGCSA-N 2 1 352.435 0.234 20 0 FCADMP COC(=O)[C@H](C)C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000726785121 664925919 /nfs/dbraw/zinc/92/59/19/664925919.db2.gz AYNNKQBYYGFJGD-GFCCVEGCSA-N 2 1 352.435 0.234 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629998 664931116 /nfs/dbraw/zinc/93/11/16/664931116.db2.gz WFCJZKLYTSTGCT-IJEWVQPXSA-N 2 1 369.897 0.694 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629998 664931118 /nfs/dbraw/zinc/93/11/18/664931118.db2.gz WFCJZKLYTSTGCT-IJEWVQPXSA-N 2 1 369.897 0.694 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629998 664931119 /nfs/dbraw/zinc/93/11/19/664931119.db2.gz WFCJZKLYTSTGCT-IJEWVQPXSA-N 2 1 369.897 0.694 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629998 664931120 /nfs/dbraw/zinc/93/11/20/664931120.db2.gz WFCJZKLYTSTGCT-IJEWVQPXSA-N 2 1 369.897 0.694 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nc(Br)nn2C)CC1 ZINC000894238056 664931469 /nfs/dbraw/zinc/93/14/69/664931469.db2.gz OQXAEFVAPYCSNO-GFCCVEGCSA-N 2 1 359.316 0.941 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000984223372 665026414 /nfs/dbraw/zinc/02/64/14/665026414.db2.gz QWTKQTCXKVWEBW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000984223377 665026475 /nfs/dbraw/zinc/02/64/75/665026475.db2.gz QWTKQTCXKVWEBW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895298413 665035972 /nfs/dbraw/zinc/03/59/72/665035972.db2.gz IQVIIEDAGUXROU-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895298413 665035973 /nfs/dbraw/zinc/03/59/73/665035973.db2.gz IQVIIEDAGUXROU-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)O1 ZINC000960528947 674678225 /nfs/dbraw/zinc/67/82/25/674678225.db2.gz SETOKSTYPOIRMW-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)O1 ZINC000960528947 674678228 /nfs/dbraw/zinc/67/82/28/674678228.db2.gz SETOKSTYPOIRMW-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]32)O1 ZINC000960528947 674678232 /nfs/dbraw/zinc/67/82/32/674678232.db2.gz SETOKSTYPOIRMW-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]32)O1 ZINC000960528947 674678235 /nfs/dbraw/zinc/67/82/35/674678235.db2.gz SETOKSTYPOIRMW-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000728793990 665166030 /nfs/dbraw/zinc/16/60/30/665166030.db2.gz VCZRFGYUFUKDMA-INIZCTEOSA-N 2 1 369.579 0.831 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000985439748 665167424 /nfs/dbraw/zinc/16/74/24/665167424.db2.gz YSQFFIRKDLNDAU-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC000985439748 665167425 /nfs/dbraw/zinc/16/74/25/665167425.db2.gz YSQFFIRKDLNDAU-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC000985439748 665167427 /nfs/dbraw/zinc/16/74/27/665167427.db2.gz YSQFFIRKDLNDAU-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1oncc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767692 665171708 /nfs/dbraw/zinc/17/17/08/665171708.db2.gz XXHUOWBXECXVNS-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1oncc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767692 665171709 /nfs/dbraw/zinc/17/17/09/665171709.db2.gz XXHUOWBXECXVNS-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1oncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767692 665171710 /nfs/dbraw/zinc/17/17/10/665171710.db2.gz XXHUOWBXECXVNS-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1oncc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767692 665171711 /nfs/dbraw/zinc/17/17/11/665171711.db2.gz XXHUOWBXECXVNS-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986486181 665215524 /nfs/dbraw/zinc/21/55/24/665215524.db2.gz QMHBGTUWCQDUKP-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000897480389 665292251 /nfs/dbraw/zinc/29/22/51/665292251.db2.gz YQXNDYVOBCKARN-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000910891888 666288986 /nfs/dbraw/zinc/28/89/86/666288986.db2.gz HLJQXEFVPIBJBQ-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000910891888 666288989 /nfs/dbraw/zinc/28/89/89/666288989.db2.gz HLJQXEFVPIBJBQ-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000910891156 666289157 /nfs/dbraw/zinc/28/91/57/666289157.db2.gz CTNZUJTZEQWHIC-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000910891156 666289160 /nfs/dbraw/zinc/28/91/60/666289160.db2.gz CTNZUJTZEQWHIC-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000910891156 666289163 /nfs/dbraw/zinc/28/91/63/666289163.db2.gz CTNZUJTZEQWHIC-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000910891156 666289168 /nfs/dbraw/zinc/28/91/68/666289168.db2.gz CTNZUJTZEQWHIC-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000910894110 666289664 /nfs/dbraw/zinc/28/96/64/666289664.db2.gz XEZVHIIETYXHSY-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000910894110 666289665 /nfs/dbraw/zinc/28/96/65/666289665.db2.gz XEZVHIIETYXHSY-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912029310 666386668 /nfs/dbraw/zinc/38/66/68/666386668.db2.gz LLLAJDUUJTWELI-APWZRJJASA-N 2 1 351.491 0.764 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@]3(C)CO)CC2)CC1 ZINC000912658027 666465380 /nfs/dbraw/zinc/46/53/80/666465380.db2.gz NILFYIWEUIMKEO-IEBWSBKVSA-N 2 1 353.507 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938782212 666484597 /nfs/dbraw/zinc/48/45/97/666484597.db2.gz ROLIULOEUXNULJ-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000913179903 666510228 /nfs/dbraw/zinc/51/02/28/666510228.db2.gz OESUJNUJBKLBKI-ZJPYXAASSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940311528 666546254 /nfs/dbraw/zinc/54/62/54/666546254.db2.gz SKCTYJKKMYTMRT-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940311528 666546256 /nfs/dbraw/zinc/54/62/56/666546256.db2.gz SKCTYJKKMYTMRT-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940311528 666546258 /nfs/dbraw/zinc/54/62/58/666546258.db2.gz SKCTYJKKMYTMRT-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000947339276 666598018 /nfs/dbraw/zinc/59/80/18/666598018.db2.gz DFUGNMPMKQUGQL-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000947339276 666598019 /nfs/dbraw/zinc/59/80/19/666598019.db2.gz DFUGNMPMKQUGQL-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000947339276 666598020 /nfs/dbraw/zinc/59/80/20/666598020.db2.gz DFUGNMPMKQUGQL-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920018 666668146 /nfs/dbraw/zinc/66/81/46/666668146.db2.gz FMRGRPUIHKFSSL-IRXDYDNUSA-N 2 1 356.511 0.753 20 0 FCADMP CC[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000913920018 666668147 /nfs/dbraw/zinc/66/81/47/666668147.db2.gz FMRGRPUIHKFSSL-IRXDYDNUSA-N 2 1 356.511 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000944076531 666828875 /nfs/dbraw/zinc/82/88/75/666828875.db2.gz XVIIXFBFQGFBNK-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287385 666905374 /nfs/dbraw/zinc/90/53/74/666905374.db2.gz ZOCKHBWULAXGIC-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)CC[N@H+]1C ZINC000994083901 666965676 /nfs/dbraw/zinc/96/56/76/666965676.db2.gz JGRHVUQXRZJKRR-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1)[NH+](C)C ZINC000994407674 667038629 /nfs/dbraw/zinc/03/86/29/667038629.db2.gz AGECQSBQYFNZJB-QBPKDAKJSA-N 2 1 352.523 0.878 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998060908 667194769 /nfs/dbraw/zinc/19/47/69/667194769.db2.gz XWUUQLYGZKBGFL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000998060908 667194772 /nfs/dbraw/zinc/19/47/72/667194772.db2.gz XWUUQLYGZKBGFL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000998060908 667194775 /nfs/dbraw/zinc/19/47/75/667194775.db2.gz XWUUQLYGZKBGFL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C(C)C)C3=O)C2)CC[N@@H+]1C ZINC001031684470 667267061 /nfs/dbraw/zinc/26/70/61/667267061.db2.gz OZCSMRJNOAXZRC-BBWFWOEESA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C(C)C)C3=O)C2)CC[N@H+]1C ZINC001031684470 667267065 /nfs/dbraw/zinc/26/70/65/667267065.db2.gz OZCSMRJNOAXZRC-BBWFWOEESA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001031685879 667268855 /nfs/dbraw/zinc/26/88/55/667268855.db2.gz GMGFPMXXPFJYAS-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002851245 667571217 /nfs/dbraw/zinc/57/12/17/667571217.db2.gz FMMGOSOWDXTWJP-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002851245 667571219 /nfs/dbraw/zinc/57/12/19/667571219.db2.gz FMMGOSOWDXTWJP-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002853335 667571539 /nfs/dbraw/zinc/57/15/39/667571539.db2.gz YGIXNGILQYTAIA-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002853335 667571546 /nfs/dbraw/zinc/57/15/46/667571546.db2.gz YGIXNGILQYTAIA-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001002859918 667572275 /nfs/dbraw/zinc/57/22/75/667572275.db2.gz VBIQJFWIKQKEPW-RRFJBIMHSA-N 2 1 350.463 0.103 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002860175 667572357 /nfs/dbraw/zinc/57/23/57/667572357.db2.gz YACVSYHKQSTCHZ-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002860175 667572360 /nfs/dbraw/zinc/57/23/60/667572360.db2.gz YACVSYHKQSTCHZ-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001033100273 667673727 /nfs/dbraw/zinc/67/37/27/667673727.db2.gz XIBJHKPSXAECGI-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033100273 667673730 /nfs/dbraw/zinc/67/37/30/667673730.db2.gz XIBJHKPSXAECGI-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033100273 667673737 /nfs/dbraw/zinc/67/37/37/667673737.db2.gz XIBJHKPSXAECGI-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCCO)CC2)O1 ZINC001004470308 667691549 /nfs/dbraw/zinc/69/15/49/667691549.db2.gz SZPXOFDTGPMEAL-BPQIPLTHSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCCO)CC2)O1 ZINC001004470308 667691551 /nfs/dbraw/zinc/69/15/51/667691551.db2.gz SZPXOFDTGPMEAL-BPQIPLTHSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCO)CC2)O1 ZINC001004470308 667691555 /nfs/dbraw/zinc/69/15/55/667691555.db2.gz SZPXOFDTGPMEAL-BPQIPLTHSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCO)CC2)O1 ZINC001004470308 667691558 /nfs/dbraw/zinc/69/15/58/667691558.db2.gz SZPXOFDTGPMEAL-BPQIPLTHSA-N 2 1 353.507 0.791 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642522 667700173 /nfs/dbraw/zinc/70/01/73/667700173.db2.gz NQMMBLXHPCRKGQ-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642522 667700176 /nfs/dbraw/zinc/70/01/76/667700176.db2.gz NQMMBLXHPCRKGQ-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642522 667700177 /nfs/dbraw/zinc/70/01/77/667700177.db2.gz NQMMBLXHPCRKGQ-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642522 667700178 /nfs/dbraw/zinc/70/01/78/667700178.db2.gz NQMMBLXHPCRKGQ-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001005407793 667740023 /nfs/dbraw/zinc/74/00/23/667740023.db2.gz VDZVXBWOMPGKAJ-BFYDXBDKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001005407793 667740027 /nfs/dbraw/zinc/74/00/27/667740027.db2.gz VDZVXBWOMPGKAJ-BFYDXBDKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001034647210 667761903 /nfs/dbraw/zinc/76/19/03/667761903.db2.gz AFJDKROGHDVRSN-KJWHEZOQSA-N 2 1 350.463 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001034647634 667761978 /nfs/dbraw/zinc/76/19/78/667761978.db2.gz OCZLYNIKYHNRJJ-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922983430 667797133 /nfs/dbraw/zinc/79/71/33/667797133.db2.gz IQOHKRNRMGYLRV-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378447 667829521 /nfs/dbraw/zinc/82/95/21/667829521.db2.gz CKIXSMWVFRDNOY-ULQDDVLXSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC000946907472 667840555 /nfs/dbraw/zinc/84/05/55/667840555.db2.gz CJMYMSQVUBAXPQ-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000946907472 667840557 /nfs/dbraw/zinc/84/05/57/667840557.db2.gz CJMYMSQVUBAXPQ-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000946907472 667840559 /nfs/dbraw/zinc/84/05/59/667840559.db2.gz CJMYMSQVUBAXPQ-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000923493829 667841152 /nfs/dbraw/zinc/84/11/52/667841152.db2.gz WDNNCQWQNYEKHZ-CQSZACIVSA-N 2 1 368.503 0.855 20 0 FCADMP O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH2+]CC1 ZINC000923601994 667872612 /nfs/dbraw/zinc/87/26/12/667872612.db2.gz BSBXUDWXNFWXOX-CQSZACIVSA-N 2 1 358.533 0.700 20 0 FCADMP O=C1O[C@@]2(CN1C[NH+]1CCC(C3OCCO3)CC1)C[NH+]1CCC2CC1 ZINC000790362433 668875258 /nfs/dbraw/zinc/87/52/58/668875258.db2.gz LNWPVPZLKPEMEJ-GOSISDBHSA-N 2 1 351.447 0.945 20 0 FCADMP Cn1ccnc1[C@](O)(CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000818969323 668966906 /nfs/dbraw/zinc/96/69/06/668966906.db2.gz CSUYLLCANSXOTG-TZMCWYRMSA-N 2 1 350.385 0.605 20 0 FCADMP Cn1ccnc1[C@](O)(CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000818969323 668966909 /nfs/dbraw/zinc/96/69/09/668966909.db2.gz CSUYLLCANSXOTG-TZMCWYRMSA-N 2 1 350.385 0.605 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000819288324 668994837 /nfs/dbraw/zinc/99/48/37/668994837.db2.gz XOGUATBPMSDJNE-GOSISDBHSA-N 2 1 358.527 0.878 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000806814059 669447386 /nfs/dbraw/zinc/44/73/86/669447386.db2.gz IHAAQPRPHMBFEG-RDJZCZTQSA-N 2 1 354.495 0.338 20 0 FCADMP CN(CCC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCO2)CC[NH+](C)C ZINC000808781466 669586155 /nfs/dbraw/zinc/58/61/55/669586155.db2.gz HRKOZQBTPCIYLI-UHFFFAOYSA-N 2 1 356.511 0.167 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCNC1=O ZINC000829779961 669725675 /nfs/dbraw/zinc/72/56/75/669725675.db2.gz UYMUAMKXZAJXFW-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000811747076 669767472 /nfs/dbraw/zinc/76/74/72/669767472.db2.gz MLRMRNNXWBRTBO-KRWDZBQOSA-N 2 1 354.451 0.481 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000834703430 669970677 /nfs/dbraw/zinc/97/06/77/669970677.db2.gz JTVISRVLOLLFAU-KFWWJZLASA-N 2 1 354.495 0.153 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000834703430 669970679 /nfs/dbraw/zinc/97/06/79/669970679.db2.gz JTVISRVLOLLFAU-KFWWJZLASA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC000834703430 669970681 /nfs/dbraw/zinc/97/06/81/669970681.db2.gz JTVISRVLOLLFAU-KFWWJZLASA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC000834703430 669970683 /nfs/dbraw/zinc/97/06/83/669970683.db2.gz JTVISRVLOLLFAU-KFWWJZLASA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000964547296 675068152 /nfs/dbraw/zinc/06/81/52/675068152.db2.gz NOTPDHMUFYIRTP-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000964547296 675068156 /nfs/dbraw/zinc/06/81/56/675068156.db2.gz NOTPDHMUFYIRTP-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000964547296 675068160 /nfs/dbraw/zinc/06/81/60/675068160.db2.gz NOTPDHMUFYIRTP-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000964939248 675077205 /nfs/dbraw/zinc/07/72/05/675077205.db2.gz CIJIIFJQVPVOHW-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000965979553 675116700 /nfs/dbraw/zinc/11/67/00/675116700.db2.gz AGBSVWCRCPDJEB-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000965979553 675116702 /nfs/dbraw/zinc/11/67/02/675116702.db2.gz AGBSVWCRCPDJEB-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000965979553 675116703 /nfs/dbraw/zinc/11/67/03/675116703.db2.gz AGBSVWCRCPDJEB-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000841723916 670606013 /nfs/dbraw/zinc/60/60/13/670606013.db2.gz BOMOVXNOPDOQAX-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000841723914 670606316 /nfs/dbraw/zinc/60/63/16/670606316.db2.gz BOMOVXNOPDOQAX-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@](C[NH3+])([NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000843355613 670804730 /nfs/dbraw/zinc/80/47/30/670804730.db2.gz HAUFBAUAIUIUPL-INIZCTEOSA-N 2 1 351.451 0.379 20 0 FCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843355641 670804975 /nfs/dbraw/zinc/80/49/75/670804975.db2.gz HLSNHHJZLMEWPM-INIZCTEOSA-N 2 1 353.467 0.625 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843364053 670806844 /nfs/dbraw/zinc/80/68/44/670806844.db2.gz MVEONCZBBHZUKJ-UHFFFAOYSA-N 2 1 352.460 0.348 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363834 670807144 /nfs/dbraw/zinc/80/71/44/670807144.db2.gz CVMLKEBGGLULED-ZDUSSCGKSA-N 2 1 366.487 0.737 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362935 670807761 /nfs/dbraw/zinc/80/77/61/670807761.db2.gz VIUDKVBIKSIWMR-STQMWFEESA-N 2 1 351.451 0.332 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843364793 670808519 /nfs/dbraw/zinc/80/85/19/670808519.db2.gz SUOXNAMJQRIGMO-UHFFFAOYSA-N 2 1 352.479 0.799 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364947 670808563 /nfs/dbraw/zinc/80/85/63/670808563.db2.gz WZKPHDGTSUUJIV-QWHCGFSZSA-N 2 1 351.451 0.332 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000845946380 671055408 /nfs/dbraw/zinc/05/54/08/671055408.db2.gz KMCOQYBOEQTPIL-DYVFJYSZSA-N 2 1 358.483 0.014 20 0 FCADMP C[S@@](=O)Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849050794 671316307 /nfs/dbraw/zinc/31/63/07/671316307.db2.gz IQHLTWPPCBARLE-XMMPIXPASA-N 2 1 352.504 0.901 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)CC1 ZINC000849082142 671317077 /nfs/dbraw/zinc/31/70/77/671317077.db2.gz WRTXMDXLIDHUSV-UHFFFAOYSA-N 2 1 356.515 0.605 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)CC1 ZINC000849082142 671317083 /nfs/dbraw/zinc/31/70/83/671317083.db2.gz WRTXMDXLIDHUSV-UHFFFAOYSA-N 2 1 356.515 0.605 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829532 675899365 /nfs/dbraw/zinc/89/93/65/675899365.db2.gz RWXVNWAIOZCFQZ-OVYGPGRDSA-N 2 1 369.531 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[NH+]1C ZINC001048829532 675899367 /nfs/dbraw/zinc/89/93/67/675899367.db2.gz RWXVNWAIOZCFQZ-OVYGPGRDSA-N 2 1 369.531 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[NH+]1C ZINC001048829532 675899371 /nfs/dbraw/zinc/89/93/71/675899371.db2.gz RWXVNWAIOZCFQZ-OVYGPGRDSA-N 2 1 369.531 0.152 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000852746080 671523295 /nfs/dbraw/zinc/52/32/95/671523295.db2.gz DNBQXFBGTPDWGZ-JONQDZQNSA-N 2 1 352.479 0.735 20 0 FCADMP C[C@@H](C(=O)NC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511477 675935989 /nfs/dbraw/zinc/93/59/89/675935989.db2.gz VFFOVGIQILTARJ-DZJNRPSUSA-N 2 1 350.507 0.571 20 0 FCADMP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733098 675964925 /nfs/dbraw/zinc/96/49/25/675964925.db2.gz JQLIACUGTIALHE-MJGOQNOKSA-N 2 1 352.523 0.631 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000863710651 672148025 /nfs/dbraw/zinc/14/80/25/672148025.db2.gz XWIYWPYDBNLKSL-CQSZACIVSA-N 2 1 354.495 0.707 20 0 FCADMP O=C1[C@@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000903926950 675983085 /nfs/dbraw/zinc/98/30/85/675983085.db2.gz VWSPQMZSEBHBNA-YPMHNXCESA-N 2 1 360.384 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@H+]1C ZINC001054135101 676000892 /nfs/dbraw/zinc/00/08/92/676000892.db2.gz VBZSPATZEAUCAR-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001054135101 676000895 /nfs/dbraw/zinc/00/08/95/676000895.db2.gz VBZSPATZEAUCAR-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001054135101 676000896 /nfs/dbraw/zinc/00/08/96/676000896.db2.gz VBZSPATZEAUCAR-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(C)(C)F)CC2)CC[N@@H+]1C ZINC001055494109 676021257 /nfs/dbraw/zinc/02/12/57/676021257.db2.gz BVHYSXYUDAMCLB-UKRRQHHQSA-N 2 1 356.486 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(C)(C)F)CC2)CC[N@H+]1C ZINC001055494109 676021258 /nfs/dbraw/zinc/02/12/58/676021258.db2.gz BVHYSXYUDAMCLB-UKRRQHHQSA-N 2 1 356.486 0.772 20 0 FCADMP CS[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055528959 676022367 /nfs/dbraw/zinc/02/23/67/676022367.db2.gz LAUFRYXGVLTHCQ-IJEWVQPXSA-N 2 1 370.563 0.775 20 0 FCADMP CS[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055528959 676022368 /nfs/dbraw/zinc/02/23/68/676022368.db2.gz LAUFRYXGVLTHCQ-IJEWVQPXSA-N 2 1 370.563 0.775 20 0 FCADMP CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583554 676025448 /nfs/dbraw/zinc/02/54/48/676025448.db2.gz RZENXZKCSSFAJN-IJEWVQPXSA-N 2 1 354.495 0.058 20 0 FCADMP COCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583423 676025467 /nfs/dbraw/zinc/02/54/67/676025467.db2.gz NAOVHNIUIDYBFG-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)[C@@]1(COC)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000876717149 672974530 /nfs/dbraw/zinc/97/45/30/672974530.db2.gz XUDJLEKHFABRNE-AEFFLSMTSA-N 2 1 357.495 0.245 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2Cl)CC1 ZINC000876782075 672980138 /nfs/dbraw/zinc/98/01/38/672980138.db2.gz MWEPYZADVWSCJF-UHFFFAOYSA-N 2 1 351.882 0.936 20 0 FCADMP CN(CC[N@H+](C)Cc1cccc(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000877521721 673017908 /nfs/dbraw/zinc/01/79/08/673017908.db2.gz BAVFSDCMWRYUFH-UHFFFAOYSA-N 2 1 354.520 0.792 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000877521721 673017917 /nfs/dbraw/zinc/01/79/17/673017917.db2.gz BAVFSDCMWRYUFH-UHFFFAOYSA-N 2 1 354.520 0.792 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH+]2CC2CCOCC2)CC[N@@H+]1C ZINC001050932030 676096128 /nfs/dbraw/zinc/09/61/28/676096128.db2.gz SLBMJKWQFFNAHQ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH+]2CC2CCOCC2)CC[N@H+]1C ZINC001050932030 676096136 /nfs/dbraw/zinc/09/61/36/676096136.db2.gz SLBMJKWQFFNAHQ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)CC[NH+]1C ZINC001050932030 676096139 /nfs/dbraw/zinc/09/61/39/676096139.db2.gz SLBMJKWQFFNAHQ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)CC[NH+]1C ZINC001050932030 676096145 /nfs/dbraw/zinc/09/61/45/676096145.db2.gz SLBMJKWQFFNAHQ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051621709 676106531 /nfs/dbraw/zinc/10/65/31/676106531.db2.gz BIBLYAXFHBMITC-VNQPRFMTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)s1 ZINC001051625254 676107199 /nfs/dbraw/zinc/10/71/99/676107199.db2.gz XMOMEBHICRAXPO-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)s1 ZINC001051625254 676107200 /nfs/dbraw/zinc/10/72/00/676107200.db2.gz XMOMEBHICRAXPO-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879568922 673128064 /nfs/dbraw/zinc/12/80/64/673128064.db2.gz FWUUFROTWQJZND-KURKYZTESA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000879568922 673128066 /nfs/dbraw/zinc/12/80/66/673128066.db2.gz FWUUFROTWQJZND-KURKYZTESA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000879568922 673128068 /nfs/dbraw/zinc/12/80/68/673128068.db2.gz FWUUFROTWQJZND-KURKYZTESA-N 2 1 352.523 0.485 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3snnc3C)C2)CC[N@H+]1C ZINC001051625412 676107133 /nfs/dbraw/zinc/10/71/33/676107133.db2.gz ZWGIGSUJQYPUEY-SOUVJXGZSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)sn1 ZINC001051680298 676108547 /nfs/dbraw/zinc/10/85/47/676108547.db2.gz LTMVUHQVZLMWCQ-IJEWVQPXSA-N 2 1 368.503 0.488 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)sn1 ZINC001051680298 676108550 /nfs/dbraw/zinc/10/85/50/676108550.db2.gz LTMVUHQVZLMWCQ-IJEWVQPXSA-N 2 1 368.503 0.488 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000880129470 673174653 /nfs/dbraw/zinc/17/46/53/673174653.db2.gz JOLSJESDQSAUMT-SQNIBIBYSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000880129470 673174661 /nfs/dbraw/zinc/17/46/61/673174661.db2.gz JOLSJESDQSAUMT-SQNIBIBYSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000880129470 673174667 /nfs/dbraw/zinc/17/46/67/673174667.db2.gz JOLSJESDQSAUMT-SQNIBIBYSA-N 2 1 352.523 0.628 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCOC)CC3)C2)CC[N@H+]1C ZINC001052030998 676113130 /nfs/dbraw/zinc/11/31/30/676113130.db2.gz AWLLSNLUDYSKIJ-FGTMMUONSA-N 2 1 352.523 0.582 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000881621757 673232990 /nfs/dbraw/zinc/23/29/90/673232990.db2.gz FMSATLJHDSAWJW-OAHLLOKOSA-N 2 1 352.479 0.040 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000881621757 673232992 /nfs/dbraw/zinc/23/29/92/673232992.db2.gz FMSATLJHDSAWJW-OAHLLOKOSA-N 2 1 352.479 0.040 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC000882493450 673315678 /nfs/dbraw/zinc/31/56/78/673315678.db2.gz HRNRASFTRSIOBU-WNKDZCFJSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC000882493450 673315680 /nfs/dbraw/zinc/31/56/80/673315680.db2.gz HRNRASFTRSIOBU-WNKDZCFJSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000882493450 673315681 /nfs/dbraw/zinc/31/56/81/673315681.db2.gz HRNRASFTRSIOBU-WNKDZCFJSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436599 673375536 /nfs/dbraw/zinc/37/55/36/673375536.db2.gz XCMQAIWEUPHEGV-IRXDYDNUSA-N 2 1 354.495 0.650 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000883642210 673387703 /nfs/dbraw/zinc/38/77/03/673387703.db2.gz GYCMUGQRQPLMDD-WDEREUQCSA-N 2 1 350.385 0.135 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000883642210 673387706 /nfs/dbraw/zinc/38/77/06/673387706.db2.gz GYCMUGQRQPLMDD-WDEREUQCSA-N 2 1 350.385 0.135 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)COCCO2 ZINC000883770719 673395138 /nfs/dbraw/zinc/39/51/38/673395138.db2.gz YRGYBBRCNLXYDP-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)COCCO2 ZINC000883770719 673395140 /nfs/dbraw/zinc/39/51/40/673395140.db2.gz YRGYBBRCNLXYDP-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001006347766 673399193 /nfs/dbraw/zinc/39/91/93/673399193.db2.gz YLCZPEHIPZLYSB-JJRVBVJISA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504056 673457696 /nfs/dbraw/zinc/45/76/96/673457696.db2.gz ZVHSSGNVPITMLO-UONOGXRCSA-N 2 1 360.449 0.584 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C)CCC(F)(F)F ZINC000884513640 673459163 /nfs/dbraw/zinc/45/91/63/673459163.db2.gz NTYSZHOLZVBGOU-CYBMUJFWSA-N 2 1 366.428 0.977 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C)CCC(F)(F)F ZINC000884513640 673459164 /nfs/dbraw/zinc/45/91/64/673459164.db2.gz NTYSZHOLZVBGOU-CYBMUJFWSA-N 2 1 366.428 0.977 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884546177 673460999 /nfs/dbraw/zinc/46/09/99/673460999.db2.gz CHTAKOHGAUBXBP-NEPJUHHUSA-N 2 1 352.401 0.430 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000884553539 673461555 /nfs/dbraw/zinc/46/15/55/673461555.db2.gz ALAWXTXXCYMDRH-HNCHTBHHSA-N 2 1 362.396 0.323 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC000884601693 673465156 /nfs/dbraw/zinc/46/51/56/673465156.db2.gz SPMGCQJOAQWHSM-PWSUYJOCSA-N 2 1 350.385 0.183 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884603195 673465161 /nfs/dbraw/zinc/46/51/61/673465161.db2.gz DMXMYCBOHWLJOY-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884631808 673468020 /nfs/dbraw/zinc/46/80/20/673468020.db2.gz YKZCFQTUKYHQTR-KXBFYZLASA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H](C)C1 ZINC000885015204 673498435 /nfs/dbraw/zinc/49/84/35/673498435.db2.gz VTFRLQBDAKGRGI-OVYGPGRDSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000885195752 673507684 /nfs/dbraw/zinc/50/76/84/673507684.db2.gz OQVWZDVNGCYZOB-KFWWJZLASA-N 2 1 354.495 0.330 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285570 673512255 /nfs/dbraw/zinc/51/22/55/673512255.db2.gz QXHNSZCTSZMVRF-ZIAGYGMSSA-N 2 1 360.449 0.442 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC[C@@H]21 ZINC000885286350 673512617 /nfs/dbraw/zinc/51/26/17/673512617.db2.gz WOAAXJBOYJCJDH-RDBSUJKOSA-N 2 1 358.433 0.290 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1N=NC(=O)N1C ZINC000889582953 673680572 /nfs/dbraw/zinc/68/05/72/673680572.db2.gz VETDNGZIRHVKTP-ZDUSSCGKSA-N 2 1 353.471 0.078 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1n[nH]c(=O)n1C ZINC000889582953 673680574 /nfs/dbraw/zinc/68/05/74/673680574.db2.gz VETDNGZIRHVKTP-ZDUSSCGKSA-N 2 1 353.471 0.078 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1n[nH]c(=O)n1C ZINC000889582953 673680576 /nfs/dbraw/zinc/68/05/76/673680576.db2.gz VETDNGZIRHVKTP-ZDUSSCGKSA-N 2 1 353.471 0.078 20 0 FCADMP O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755277 673685992 /nfs/dbraw/zinc/68/59/92/673685992.db2.gz FIPIIJDIWYBNRI-SQNIBIBYSA-N 2 1 351.491 0.687 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927630158 673870884 /nfs/dbraw/zinc/87/08/84/673870884.db2.gz NFQORMBIRPBWIX-GOEBONIOSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927630158 673870886 /nfs/dbraw/zinc/87/08/86/673870886.db2.gz NFQORMBIRPBWIX-GOEBONIOSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927630158 673870887 /nfs/dbraw/zinc/87/08/87/673870887.db2.gz NFQORMBIRPBWIX-GOEBONIOSA-N 2 1 354.495 0.384 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000929525914 673961441 /nfs/dbraw/zinc/96/14/41/673961441.db2.gz MKRJHSZPNUWDJS-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000929525914 673961443 /nfs/dbraw/zinc/96/14/43/673961443.db2.gz MKRJHSZPNUWDJS-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000929525914 673961445 /nfs/dbraw/zinc/96/14/45/673961445.db2.gz MKRJHSZPNUWDJS-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000929525914 673961446 /nfs/dbraw/zinc/96/14/46/673961446.db2.gz MKRJHSZPNUWDJS-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000929754306 673975341 /nfs/dbraw/zinc/97/53/41/673975341.db2.gz FDENELAKXPWFSY-HNNXBMFYSA-N 2 1 364.515 0.897 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000929754306 673975345 /nfs/dbraw/zinc/97/53/45/673975345.db2.gz FDENELAKXPWFSY-HNNXBMFYSA-N 2 1 364.515 0.897 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)[C@H](C)C1 ZINC000930178795 674004342 /nfs/dbraw/zinc/00/43/42/674004342.db2.gz BCGZFFFOBNJNIS-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)[C@H](C)C1 ZINC000930178795 674004343 /nfs/dbraw/zinc/00/43/43/674004343.db2.gz BCGZFFFOBNJNIS-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000930178795 674004345 /nfs/dbraw/zinc/00/43/45/674004345.db2.gz BCGZFFFOBNJNIS-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000930178795 674004347 /nfs/dbraw/zinc/00/43/47/674004347.db2.gz BCGZFFFOBNJNIS-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001014473091 675390421 /nfs/dbraw/zinc/39/04/21/675390421.db2.gz BQTHJIASIWXATM-VNQPRFMTSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001014473091 675390425 /nfs/dbraw/zinc/39/04/25/675390425.db2.gz BQTHJIASIWXATM-VNQPRFMTSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014473091 675390427 /nfs/dbraw/zinc/39/04/27/675390427.db2.gz BQTHJIASIWXATM-VNQPRFMTSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014473091 675390431 /nfs/dbraw/zinc/39/04/31/675390431.db2.gz BQTHJIASIWXATM-VNQPRFMTSA-N 2 1 357.520 0.342 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014486035 675391251 /nfs/dbraw/zinc/39/12/51/675391251.db2.gz ZFPMFFBXQVWIHQ-QLFBSQMISA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014486035 675391256 /nfs/dbraw/zinc/39/12/56/675391256.db2.gz ZFPMFFBXQVWIHQ-QLFBSQMISA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486035 675391258 /nfs/dbraw/zinc/39/12/58/675391258.db2.gz ZFPMFFBXQVWIHQ-QLFBSQMISA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486035 675391261 /nfs/dbraw/zinc/39/12/61/675391261.db2.gz ZFPMFFBXQVWIHQ-QLFBSQMISA-N 2 1 352.504 0.749 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001014487578 675391311 /nfs/dbraw/zinc/39/13/11/675391311.db2.gz DYBWTGLGHSSLTN-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001014487578 675391315 /nfs/dbraw/zinc/39/13/15/675391315.db2.gz DYBWTGLGHSSLTN-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC(C)CC3)C2)CC[NH+]1C ZINC001014487578 675391317 /nfs/dbraw/zinc/39/13/17/675391317.db2.gz DYBWTGLGHSSLTN-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC(C)CC3)C2)CC[NH+]1C ZINC001014487578 675391321 /nfs/dbraw/zinc/39/13/21/675391321.db2.gz DYBWTGLGHSSLTN-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001014510047 675391857 /nfs/dbraw/zinc/39/18/57/675391857.db2.gz VAJWYOLDSYUIAF-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001014510047 675391858 /nfs/dbraw/zinc/39/18/58/675391858.db2.gz VAJWYOLDSYUIAF-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014510047 675391859 /nfs/dbraw/zinc/39/18/59/675391859.db2.gz VAJWYOLDSYUIAF-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014510047 675391860 /nfs/dbraw/zinc/39/18/60/675391860.db2.gz VAJWYOLDSYUIAF-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001019031303 675420123 /nfs/dbraw/zinc/42/01/23/675420123.db2.gz JCROYISBWYDMNT-MBNYWOFBSA-N 2 1 354.476 0.561 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001019031303 675420126 /nfs/dbraw/zinc/42/01/26/675420126.db2.gz JCROYISBWYDMNT-MBNYWOFBSA-N 2 1 354.476 0.561 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001039136174 675447494 /nfs/dbraw/zinc/44/74/94/675447494.db2.gz LHRMJJIFAIETNT-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001039136174 675447498 /nfs/dbraw/zinc/44/74/98/675447498.db2.gz LHRMJJIFAIETNT-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[N@H+](CCCO)C3)CC2)O1 ZINC001039136174 675447503 /nfs/dbraw/zinc/44/75/03/675447503.db2.gz LHRMJJIFAIETNT-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CC[N@@H+](CCCO)C3)CC2)O1 ZINC001039136174 675447505 /nfs/dbraw/zinc/44/75/05/675447505.db2.gz LHRMJJIFAIETNT-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001039132814 675447612 /nfs/dbraw/zinc/44/76/12/675447612.db2.gz OVXITMCWQGXWST-IXDOHACOSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001039132814 675447614 /nfs/dbraw/zinc/44/76/14/675447614.db2.gz OVXITMCWQGXWST-IXDOHACOSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001039132814 675447615 /nfs/dbraw/zinc/44/76/15/675447615.db2.gz OVXITMCWQGXWST-IXDOHACOSA-N 2 1 350.507 0.763 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132190 675447623 /nfs/dbraw/zinc/44/76/23/675447623.db2.gz DRWYZHZBFQMAMK-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039132190 675447624 /nfs/dbraw/zinc/44/76/24/675447624.db2.gz DRWYZHZBFQMAMK-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039132190 675447626 /nfs/dbraw/zinc/44/76/26/675447626.db2.gz DRWYZHZBFQMAMK-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001040708293 675469150 /nfs/dbraw/zinc/46/91/50/675469150.db2.gz UKUQUTQPQLJJLD-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001040708293 675469153 /nfs/dbraw/zinc/46/91/53/675469153.db2.gz UKUQUTQPQLJJLD-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC001040708213 675469165 /nfs/dbraw/zinc/46/91/65/675469165.db2.gz RBPDVWABLMKNQM-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001046330492 675709076 /nfs/dbraw/zinc/70/90/76/675709076.db2.gz LDRDPHPKLNCHTR-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001046330492 675709081 /nfs/dbraw/zinc/70/90/81/675709081.db2.gz LDRDPHPKLNCHTR-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001046330492 675709084 /nfs/dbraw/zinc/70/90/84/675709084.db2.gz LDRDPHPKLNCHTR-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001046330492 675709087 /nfs/dbraw/zinc/70/90/87/675709087.db2.gz LDRDPHPKLNCHTR-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900975472 675736202 /nfs/dbraw/zinc/73/62/02/675736202.db2.gz ULWPQDRVQVXJQK-DLBZAZTESA-N 2 1 350.507 0.763 20 0 FCADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299415 675780514 /nfs/dbraw/zinc/78/05/14/675780514.db2.gz PYQFTQYFQSRBAF-SJORKVTESA-N 2 1 351.491 0.689 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CCO)CC3)C2)O1 ZINC001047244513 675788930 /nfs/dbraw/zinc/78/89/30/675788930.db2.gz RXEXCDXHWZASLM-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CCO)CC3)C2)O1 ZINC001047244513 675788931 /nfs/dbraw/zinc/78/89/31/675788931.db2.gz RXEXCDXHWZASLM-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000801517074 675789278 /nfs/dbraw/zinc/78/92/78/675789278.db2.gz KMJPXOBRWYAZGG-GFCCVEGCSA-N 2 1 350.385 0.246 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000801517074 675789284 /nfs/dbraw/zinc/78/92/84/675789284.db2.gz KMJPXOBRWYAZGG-GFCCVEGCSA-N 2 1 350.385 0.246 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384955 675795806 /nfs/dbraw/zinc/79/58/06/675795806.db2.gz PLSLZVDKYMESKU-IRWJRLHMSA-N 2 1 350.463 0.635 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384955 675795807 /nfs/dbraw/zinc/79/58/07/675795807.db2.gz PLSLZVDKYMESKU-IRWJRLHMSA-N 2 1 350.463 0.635 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384955 675795808 /nfs/dbraw/zinc/79/58/08/675795808.db2.gz PLSLZVDKYMESKU-IRWJRLHMSA-N 2 1 350.463 0.635 20 0 FCADMP Cc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047384955 675795809 /nfs/dbraw/zinc/79/58/09/675795809.db2.gz PLSLZVDKYMESKU-IRWJRLHMSA-N 2 1 350.463 0.635 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000969303587 1167862061 /nfs/dbraw/zinc/86/20/61/1167862061.db2.gz OVUIJZPPHGZHCZ-UHDSXZAQSA-N 2 1 366.506 0.248 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000969303587 1167862064 /nfs/dbraw/zinc/86/20/64/1167862064.db2.gz OVUIJZPPHGZHCZ-UHDSXZAQSA-N 2 1 366.506 0.248 20 0 FCADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001020612737 1168160473 /nfs/dbraw/zinc/16/04/73/1168160473.db2.gz AHJIOTJGWRRJBS-HSFUPAIVSA-N 2 1 358.486 0.833 20 0 FCADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092988 1168165581 /nfs/dbraw/zinc/16/55/81/1168165581.db2.gz JSAJMIFTPLLZLY-CVEARBPZSA-N 2 1 357.462 0.151 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042415 1168305227 /nfs/dbraw/zinc/30/52/27/1168305227.db2.gz GNOXUBQYBISRLB-KURKYZTESA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042415 1168305232 /nfs/dbraw/zinc/30/52/32/1168305232.db2.gz GNOXUBQYBISRLB-KURKYZTESA-N 2 1 368.485 0.851 20 0 FCADMP C[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000078691526 1168308020 /nfs/dbraw/zinc/30/80/20/1168308020.db2.gz PIDJNQUVQJZHAL-HNNXBMFYSA-N 2 1 362.474 0.914 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376274 1168484654 /nfs/dbraw/zinc/48/46/54/1168484654.db2.gz QELZJRCQZMLDIB-HYVNUMGLSA-N 2 1 364.494 0.659 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376274 1168484661 /nfs/dbraw/zinc/48/46/61/1168484661.db2.gz QELZJRCQZMLDIB-HYVNUMGLSA-N 2 1 364.494 0.659 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001021240596 1168855510 /nfs/dbraw/zinc/85/55/10/1168855510.db2.gz LWJYOVBEPVSPSC-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241560 1168856903 /nfs/dbraw/zinc/85/69/03/1168856903.db2.gz IITUXQQZAJVHDW-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241560 1168856906 /nfs/dbraw/zinc/85/69/06/1168856906.db2.gz IITUXQQZAJVHDW-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241560 1168856907 /nfs/dbraw/zinc/85/69/07/1168856907.db2.gz IITUXQQZAJVHDW-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C[C@H]2C1 ZINC000891714653 1170833137 /nfs/dbraw/zinc/83/31/37/1170833137.db2.gz TZBUSDAFYFQDAH-CALCHBBNSA-N 2 1 358.490 0.536 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353337 1170836094 /nfs/dbraw/zinc/83/60/94/1170836094.db2.gz MWVWKLJCUZGKRD-HUUCEWRRSA-N 2 1 362.478 0.672 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353337 1170836095 /nfs/dbraw/zinc/83/60/95/1170836095.db2.gz MWVWKLJCUZGKRD-HUUCEWRRSA-N 2 1 362.478 0.672 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353337 1170836097 /nfs/dbraw/zinc/83/60/97/1170836097.db2.gz MWVWKLJCUZGKRD-HUUCEWRRSA-N 2 1 362.478 0.672 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353337 1170836098 /nfs/dbraw/zinc/83/60/98/1170836098.db2.gz MWVWKLJCUZGKRD-HUUCEWRRSA-N 2 1 362.478 0.672 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC000891763111 1170850317 /nfs/dbraw/zinc/85/03/17/1170850317.db2.gz XKTQFWMECDCZJO-CALCHBBNSA-N 2 1 373.505 0.192 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC000891763111 1170850320 /nfs/dbraw/zinc/85/03/20/1170850320.db2.gz XKTQFWMECDCZJO-CALCHBBNSA-N 2 1 373.505 0.192 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2CCS(=O)(=O)CC2)C2CC2)CC[N@H+]1C ZINC001691210902 1170860450 /nfs/dbraw/zinc/86/04/50/1170860450.db2.gz FZVGOWSISXJEKG-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC2CCS(=O)(=O)CC2)C2CC2)CC[NH+]1C ZINC001691210902 1170860451 /nfs/dbraw/zinc/86/04/51/1170860451.db2.gz FZVGOWSISXJEKG-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC2CCS(=O)(=O)CC2)C2CC2)CC[NH+]1C ZINC001691210902 1170860454 /nfs/dbraw/zinc/86/04/54/1170860454.db2.gz FZVGOWSISXJEKG-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000179291036 1192434206 /nfs/dbraw/zinc/43/42/06/1192434206.db2.gz PLHVNSRAANIWLF-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001691285619 1171034256 /nfs/dbraw/zinc/03/42/56/1171034256.db2.gz CUCZKLBASPBCDI-RYQLBKOJSA-N 2 1 363.506 0.682 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891902689 1171060862 /nfs/dbraw/zinc/06/08/62/1171060862.db2.gz WDQGARCBKXJLRD-JONQDZQNSA-N 2 1 367.494 0.683 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001691356666 1171198646 /nfs/dbraw/zinc/19/86/46/1171198646.db2.gz ZGDFCUCKVZBYDW-CBBWQLFWSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CCOCCO)C1 ZINC001691367179 1171213739 /nfs/dbraw/zinc/21/37/39/1171213739.db2.gz HLZFNOCEYFTXQX-OWSLCNJRSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972804 1171367755 /nfs/dbraw/zinc/36/77/55/1171367755.db2.gz LISFSFMJJCPMJI-PKOBYXMFSA-N 2 1 359.518 0.959 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083236140 1171548107 /nfs/dbraw/zinc/54/81/07/1171548107.db2.gz MVEFDFMOJQHFRH-RYQLBKOJSA-N 2 1 367.490 0.045 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000988779227 1192472917 /nfs/dbraw/zinc/47/29/17/1192472917.db2.gz CWFSLNIYCOFWMI-TXCZRRACSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000988779227 1192472922 /nfs/dbraw/zinc/47/29/22/1192472922.db2.gz CWFSLNIYCOFWMI-TXCZRRACSA-N 2 1 366.506 0.153 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000892220948 1171767396 /nfs/dbraw/zinc/76/73/96/1171767396.db2.gz WSASWVUOLUKAOX-UHFFFAOYSA-N 2 1 362.474 0.304 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022717964 1171806780 /nfs/dbraw/zinc/80/67/80/1171806780.db2.gz PSHBJUSLAZTMKE-YESZJQIVSA-N 2 1 360.502 0.626 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724672 1171820957 /nfs/dbraw/zinc/82/09/57/1171820957.db2.gz BFGGRHDSLMBCGH-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724672 1171820959 /nfs/dbraw/zinc/82/09/59/1171820959.db2.gz BFGGRHDSLMBCGH-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724672 1171820961 /nfs/dbraw/zinc/82/09/61/1171820961.db2.gz BFGGRHDSLMBCGH-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001087226318 1172077048 /nfs/dbraw/zinc/07/70/48/1172077048.db2.gz OJVZTBPGIZXVDO-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059943258 1192613616 /nfs/dbraw/zinc/61/36/16/1192613616.db2.gz LGUDBUOHCLJKHM-BRWVUGGUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059943258 1192613625 /nfs/dbraw/zinc/61/36/25/1192613625.db2.gz LGUDBUOHCLJKHM-BRWVUGGUSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000989214609 1192747350 /nfs/dbraw/zinc/74/73/50/1192747350.db2.gz SFNHMHVQBBOCHO-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000989214609 1192747353 /nfs/dbraw/zinc/74/73/53/1192747353.db2.gz SFNHMHVQBBOCHO-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000989214609 1192747356 /nfs/dbraw/zinc/74/73/56/1192747356.db2.gz SFNHMHVQBBOCHO-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000989214609 1192747359 /nfs/dbraw/zinc/74/73/59/1192747359.db2.gz SFNHMHVQBBOCHO-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658043 1192803333 /nfs/dbraw/zinc/80/33/33/1192803333.db2.gz FTMFGNRZVWFVGV-XYVMCAHJSA-N 2 1 363.506 0.744 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658043 1192803336 /nfs/dbraw/zinc/80/33/36/1192803336.db2.gz FTMFGNRZVWFVGV-XYVMCAHJSA-N 2 1 363.506 0.744 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658043 1192803339 /nfs/dbraw/zinc/80/33/39/1192803339.db2.gz FTMFGNRZVWFVGV-XYVMCAHJSA-N 2 1 363.506 0.744 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658043 1192803341 /nfs/dbraw/zinc/80/33/41/1192803341.db2.gz FTMFGNRZVWFVGV-XYVMCAHJSA-N 2 1 363.506 0.744 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897603679 1192830108 /nfs/dbraw/zinc/83/01/08/1192830108.db2.gz DKTZQVGDXLSJDH-AWEZNQCLSA-N 2 1 356.430 0.440 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001272197370 1192837285 /nfs/dbraw/zinc/83/72/85/1192837285.db2.gz BIRRLWVLEVDZAO-IBGZPJMESA-N 2 1 361.490 0.848 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001272197370 1192837288 /nfs/dbraw/zinc/83/72/88/1192837288.db2.gz BIRRLWVLEVDZAO-IBGZPJMESA-N 2 1 361.490 0.848 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000897939887 1192852102 /nfs/dbraw/zinc/85/21/02/1192852102.db2.gz ULYJWJUHYDHQCT-HZPDHXFCSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000897939887 1192852104 /nfs/dbraw/zinc/85/21/04/1192852104.db2.gz ULYJWJUHYDHQCT-HZPDHXFCSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897948896 1192852555 /nfs/dbraw/zinc/85/25/55/1192852555.db2.gz AXQLHYJFDASHAI-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897948896 1192852556 /nfs/dbraw/zinc/85/25/56/1192852556.db2.gz AXQLHYJFDASHAI-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023372023 1179485273 /nfs/dbraw/zinc/48/52/73/1179485273.db2.gz LCESBGZSSUQYLA-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023372023 1179485297 /nfs/dbraw/zinc/48/52/97/1179485297.db2.gz LCESBGZSSUQYLA-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023372023 1179485327 /nfs/dbraw/zinc/48/53/27/1179485327.db2.gz LCESBGZSSUQYLA-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023372023 1179485335 /nfs/dbraw/zinc/48/53/35/1179485335.db2.gz LCESBGZSSUQYLA-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001087245133 1179919427 /nfs/dbraw/zinc/91/94/27/1179919427.db2.gz GPUMATFVVFXVJN-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001087245133 1179919438 /nfs/dbraw/zinc/91/94/38/1179919438.db2.gz GPUMATFVVFXVJN-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC000972637947 1180089143 /nfs/dbraw/zinc/08/91/43/1180089143.db2.gz DYSIRNGQSHFGLR-HZPDHXFCSA-N 2 1 359.474 0.735 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796911 1180325798 /nfs/dbraw/zinc/32/57/98/1180325798.db2.gz QKFPBQULOFZKQE-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738770 1180687808 /nfs/dbraw/zinc/68/78/08/1180687808.db2.gz GVUIGTSZNRKCCA-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738770 1180687820 /nfs/dbraw/zinc/68/78/20/1180687820.db2.gz GVUIGTSZNRKCCA-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462746 1181205992 /nfs/dbraw/zinc/20/59/92/1181205992.db2.gz UHQIFHQYHPAFSU-BRWVUGGUSA-N 2 1 371.441 0.038 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)CC1 ZINC000892473377 1181240820 /nfs/dbraw/zinc/24/08/20/1181240820.db2.gz SNZQKPAZLMGKBF-UHFFFAOYSA-N 2 1 363.506 0.548 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCc2cnn(C)c2)O1 ZINC001024507715 1181262970 /nfs/dbraw/zinc/26/29/70/1181262970.db2.gz XHWNCAHFUCAOCD-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCc2cnn(C)c2)O1 ZINC001024507715 1181262973 /nfs/dbraw/zinc/26/29/73/1181262973.db2.gz XHWNCAHFUCAOCD-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCc2cnn(C)c2)O1 ZINC001024507715 1181262979 /nfs/dbraw/zinc/26/29/79/1181262979.db2.gz XHWNCAHFUCAOCD-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCc2cnn(C)c2)O1 ZINC001024507715 1181262985 /nfs/dbraw/zinc/26/29/85/1181262985.db2.gz XHWNCAHFUCAOCD-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP COc1ccc(CN2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083273870 1181736580 /nfs/dbraw/zinc/73/65/80/1181736580.db2.gz LQLWGNSJGFICKF-YESZJQIVSA-N 2 1 360.458 0.454 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1)C1CCC1 ZINC001083275806 1181854889 /nfs/dbraw/zinc/85/48/89/1181854889.db2.gz XNZCZFCIWFQXLL-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)C1CCC1 ZINC001083275806 1181854896 /nfs/dbraw/zinc/85/48/96/1181854896.db2.gz XNZCZFCIWFQXLL-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001480975854 1181859593 /nfs/dbraw/zinc/85/95/93/1181859593.db2.gz KBPNXIYDDQDKBE-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001480975854 1181859598 /nfs/dbraw/zinc/85/95/98/1181859598.db2.gz KBPNXIYDDQDKBE-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001480975854 1181859600 /nfs/dbraw/zinc/85/96/00/1181859600.db2.gz KBPNXIYDDQDKBE-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001480975854 1181859602 /nfs/dbraw/zinc/85/96/02/1181859602.db2.gz KBPNXIYDDQDKBE-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)c(C)n1 ZINC001025042922 1181876279 /nfs/dbraw/zinc/87/62/79/1181876279.db2.gz GFCVWAPBMCNJOV-QBPKDAKJSA-N 2 1 374.485 0.649 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598954 1181911179 /nfs/dbraw/zinc/91/11/79/1181911179.db2.gz OZQOFTUQBFQALZ-YVSFHVDLSA-N 2 1 363.506 0.465 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104676288 1182358058 /nfs/dbraw/zinc/35/80/58/1182358058.db2.gz DBQSCJHLMJTSET-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892769127 1182489555 /nfs/dbraw/zinc/48/95/55/1182489555.db2.gz XPULYJDRBAUIAR-MRXNPFEDSA-N 2 1 368.522 0.897 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892769127 1182489566 /nfs/dbraw/zinc/48/95/66/1182489566.db2.gz XPULYJDRBAUIAR-MRXNPFEDSA-N 2 1 368.522 0.897 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768347 1182491418 /nfs/dbraw/zinc/49/14/18/1182491418.db2.gz GSQHNDMZEVYXSL-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001025684482 1182686192 /nfs/dbraw/zinc/68/61/92/1182686192.db2.gz KCOGISATXPHXGR-IAOVAPTHSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001105010741 1183068067 /nfs/dbraw/zinc/06/80/67/1183068067.db2.gz XODGWMGRLPJXQC-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)C1 ZINC001105041392 1183089152 /nfs/dbraw/zinc/08/91/52/1183089152.db2.gz CMHSUTJQFIHRHF-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)C1 ZINC001105041392 1183089156 /nfs/dbraw/zinc/08/91/56/1183089156.db2.gz CMHSUTJQFIHRHF-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000974545251 1183327487 /nfs/dbraw/zinc/32/74/87/1183327487.db2.gz YPNBDBNNIQDSGF-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000974545251 1183327494 /nfs/dbraw/zinc/32/74/94/1183327494.db2.gz YPNBDBNNIQDSGF-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587419 1183354814 /nfs/dbraw/zinc/35/48/14/1183354814.db2.gz ZNKUNOJEXAYBDU-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC2(C)C)CC[N@H+]1C ZINC000974587312 1183366677 /nfs/dbraw/zinc/36/66/77/1183366677.db2.gz JQOHDTUHDIXJIE-RBSFLKMASA-N 2 1 364.490 0.302 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC000975784561 1185780569 /nfs/dbraw/zinc/78/05/69/1185780569.db2.gz DMRSYEFAANROLH-JQHSSLGASA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000978670743 1185989266 /nfs/dbraw/zinc/98/92/66/1185989266.db2.gz YJYDAZZFSOXSFJ-JKJDWNRSSA-N 2 1 359.474 0.629 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC000978670743 1185989277 /nfs/dbraw/zinc/98/92/77/1185989277.db2.gz YJYDAZZFSOXSFJ-JKJDWNRSSA-N 2 1 359.474 0.629 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000978962482 1186038033 /nfs/dbraw/zinc/03/80/33/1186038033.db2.gz HMJZJUCVHXMLQN-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000978962482 1186038040 /nfs/dbraw/zinc/03/80/40/1186038040.db2.gz HMJZJUCVHXMLQN-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000978962482 1186038044 /nfs/dbraw/zinc/03/80/44/1186038044.db2.gz HMJZJUCVHXMLQN-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000978962482 1186038048 /nfs/dbraw/zinc/03/80/48/1186038048.db2.gz HMJZJUCVHXMLQN-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC001648929745 1186096144 /nfs/dbraw/zinc/09/61/44/1186096144.db2.gz HSEYSDKLYBKZOF-UHFFFAOYSA-N 2 1 351.447 0.760 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1C ZINC001058845500 1186245531 /nfs/dbraw/zinc/24/55/31/1186245531.db2.gz PNJQSEOBEBGVPI-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1C ZINC001058845500 1186245535 /nfs/dbraw/zinc/24/55/35/1186245535.db2.gz PNJQSEOBEBGVPI-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1C ZINC001058845500 1186245540 /nfs/dbraw/zinc/24/55/40/1186245540.db2.gz PNJQSEOBEBGVPI-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CCCN(CCNC(=O)[C@H]1CN(CC)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001745459000 1186595276 /nfs/dbraw/zinc/59/52/76/1186595276.db2.gz VBRVBWMAEWHVEX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001745459000 1186595277 /nfs/dbraw/zinc/59/52/77/1186595277.db2.gz VBRVBWMAEWHVEX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001745459000 1186595278 /nfs/dbraw/zinc/59/52/78/1186595278.db2.gz VBRVBWMAEWHVEX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001745459000 1186595279 /nfs/dbraw/zinc/59/52/79/1186595279.db2.gz VBRVBWMAEWHVEX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001745459000 1186595283 /nfs/dbraw/zinc/59/52/83/1186595283.db2.gz VBRVBWMAEWHVEX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613803 1186652268 /nfs/dbraw/zinc/65/22/68/1186652268.db2.gz QFIARVLHBRENNK-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613803 1186652276 /nfs/dbraw/zinc/65/22/76/1186652276.db2.gz QFIARVLHBRENNK-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613803 1186652278 /nfs/dbraw/zinc/65/22/78/1186652278.db2.gz QFIARVLHBRENNK-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613803 1186652281 /nfs/dbraw/zinc/65/22/81/1186652281.db2.gz QFIARVLHBRENNK-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691501234 1186684593 /nfs/dbraw/zinc/68/45/93/1186684593.db2.gz KCFLITFTWGOJDR-BQJWPVKWSA-N 2 1 352.523 0.972 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691501235 1186684964 /nfs/dbraw/zinc/68/49/64/1186684964.db2.gz KCFLITFTWGOJDR-WRQOLXDDSA-N 2 1 352.523 0.972 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893867862 1187519225 /nfs/dbraw/zinc/51/92/25/1187519225.db2.gz RWAGCPBORUPAMN-ROUUACIJSA-N 2 1 367.538 0.253 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839630 1187534147 /nfs/dbraw/zinc/53/41/47/1187534147.db2.gz LTCDVNXWNGEABO-LJQANCHMSA-N 2 1 358.490 0.543 20 0 FCADMP COc1ccnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001028629467 1187759051 /nfs/dbraw/zinc/75/90/51/1187759051.db2.gz MXWHGNMRTTZCTA-IIDMSEBBSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001028629467 1187759056 /nfs/dbraw/zinc/75/90/56/1187759056.db2.gz MXWHGNMRTTZCTA-IIDMSEBBSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001028629467 1187759058 /nfs/dbraw/zinc/75/90/58/1187759058.db2.gz MXWHGNMRTTZCTA-IIDMSEBBSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001028629467 1187759062 /nfs/dbraw/zinc/75/90/62/1187759062.db2.gz MXWHGNMRTTZCTA-IIDMSEBBSA-N 2 1 362.474 0.747 20 0 FCADMP CN(CC(=O)N1CC2(CC[N@@H+]2CCc2c[nH]c3ccccc23)C1)C(N)=[NH2+] ZINC001269992315 1187961672 /nfs/dbraw/zinc/96/16/72/1187961672.db2.gz GSAIFBNILQGSDA-UHFFFAOYSA-N 2 1 354.458 0.822 20 0 FCADMP CN(CC(=O)N1CC2(CC[N@H+]2CCc2c[nH]c3ccccc23)C1)C(N)=[NH2+] ZINC001269992315 1187961683 /nfs/dbraw/zinc/96/16/83/1187961683.db2.gz GSAIFBNILQGSDA-UHFFFAOYSA-N 2 1 354.458 0.822 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549978742 1187974199 /nfs/dbraw/zinc/97/41/99/1187974199.db2.gz GTCJENGIZMUGMI-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000398086372 1188029784 /nfs/dbraw/zinc/02/97/84/1188029784.db2.gz ULFHIDOPIYZKKN-HYVNUMGLSA-N 2 1 367.515 0.775 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095025 1188222942 /nfs/dbraw/zinc/22/29/42/1188222942.db2.gz HXGKMOXMIHZLLU-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550095025 1188222946 /nfs/dbraw/zinc/22/29/46/1188222946.db2.gz HXGKMOXMIHZLLU-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000550098977 1188223637 /nfs/dbraw/zinc/22/36/37/1188223637.db2.gz YCAKADGFYWPAQD-QGZVFWFLSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCOCC2)C1 ZINC000550271462 1188252302 /nfs/dbraw/zinc/25/23/02/1188252302.db2.gz OFSRIKSBDOUQPU-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550271462 1188252305 /nfs/dbraw/zinc/25/23/05/1188252305.db2.gz OFSRIKSBDOUQPU-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550271462 1188252309 /nfs/dbraw/zinc/25/23/09/1188252309.db2.gz OFSRIKSBDOUQPU-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550271763 1188252456 /nfs/dbraw/zinc/25/24/56/1188252456.db2.gz WAYSSQCKESZMHE-UHFFFAOYSA-N 2 1 366.462 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC000983707264 1188276055 /nfs/dbraw/zinc/27/60/55/1188276055.db2.gz BPFQCYYKATUVNN-RKYPPNDESA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111884 1188293726 /nfs/dbraw/zinc/29/37/26/1188293726.db2.gz QUNVETMAAGUDHO-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111884 1188293729 /nfs/dbraw/zinc/29/37/29/1188293729.db2.gz QUNVETMAAGUDHO-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000520224588 1188330906 /nfs/dbraw/zinc/33/09/06/1188330906.db2.gz OFVFNJOPCWOTBG-UHFFFAOYSA-N 2 1 357.462 0.627 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000983805263 1188348438 /nfs/dbraw/zinc/34/84/38/1188348438.db2.gz JXIQMEZWIBJKGJ-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000983805263 1188348439 /nfs/dbraw/zinc/34/84/39/1188348439.db2.gz JXIQMEZWIBJKGJ-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000550413853 1188366914 /nfs/dbraw/zinc/36/69/14/1188366914.db2.gz DQNGVLXCMBLLAO-YJBOKZPZSA-N 2 1 360.502 0.874 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CCCc1nc(C)no1 ZINC001087529383 1189383825 /nfs/dbraw/zinc/38/38/25/1189383825.db2.gz DUIWNXYCQAZFPP-XHSDSOJGSA-N 2 1 365.478 0.610 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001075808963 1189464350 /nfs/dbraw/zinc/46/43/50/1189464350.db2.gz MEZDTTHBUYKHJI-CYGHRXIMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001075808963 1189464359 /nfs/dbraw/zinc/46/43/59/1189464359.db2.gz MEZDTTHBUYKHJI-CYGHRXIMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC001075808963 1189464370 /nfs/dbraw/zinc/46/43/70/1189464370.db2.gz MEZDTTHBUYKHJI-CYGHRXIMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC001075808963 1189464378 /nfs/dbraw/zinc/46/43/78/1189464378.db2.gz MEZDTTHBUYKHJI-CYGHRXIMSA-N 2 1 362.518 0.918 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550455406 1189486967 /nfs/dbraw/zinc/48/69/67/1189486967.db2.gz KIVRJRYSGSASKH-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550455406 1189486976 /nfs/dbraw/zinc/48/69/76/1189486976.db2.gz KIVRJRYSGSASKH-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550455406 1189486978 /nfs/dbraw/zinc/48/69/78/1189486978.db2.gz KIVRJRYSGSASKH-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCN1CCNC1=O ZINC001087574048 1189608761 /nfs/dbraw/zinc/60/87/61/1189608761.db2.gz PVCHZLUWAYBJCU-YESZJQIVSA-N 2 1 363.506 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001087659409 1189710181 /nfs/dbraw/zinc/71/01/81/1189710181.db2.gz FEUSDKZMFHQYLA-OWCLPIDISA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001087659409 1189710188 /nfs/dbraw/zinc/71/01/88/1189710188.db2.gz FEUSDKZMFHQYLA-OWCLPIDISA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001087659409 1189710195 /nfs/dbraw/zinc/71/01/95/1189710195.db2.gz FEUSDKZMFHQYLA-OWCLPIDISA-N 2 1 357.462 0.940 20 0 FCADMP Cc1cncn1CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984261309 1189731733 /nfs/dbraw/zinc/73/17/33/1189731733.db2.gz PYUKWVKEORQKNK-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984261309 1189731749 /nfs/dbraw/zinc/73/17/49/1189731749.db2.gz PYUKWVKEORQKNK-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984261309 1189731772 /nfs/dbraw/zinc/73/17/72/1189731772.db2.gz PYUKWVKEORQKNK-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984407287 1189837562 /nfs/dbraw/zinc/83/75/62/1189837562.db2.gz YIIKCMATRXNMBN-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984407287 1189837563 /nfs/dbraw/zinc/83/75/63/1189837563.db2.gz YIIKCMATRXNMBN-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001087836897 1189845015 /nfs/dbraw/zinc/84/50/15/1189845015.db2.gz MHVRFHPJOKBWHR-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CCc1cnn(C)c1 ZINC001087836897 1189845018 /nfs/dbraw/zinc/84/50/18/1189845018.db2.gz MHVRFHPJOKBWHR-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CCc1cnn(C)c1 ZINC001087836897 1189845020 /nfs/dbraw/zinc/84/50/20/1189845020.db2.gz MHVRFHPJOKBWHR-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCc1cnn(C)c1 ZINC001087836897 1189845023 /nfs/dbraw/zinc/84/50/23/1189845023.db2.gz MHVRFHPJOKBWHR-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cn(C)nc1C ZINC001087837018 1189845570 /nfs/dbraw/zinc/84/55/70/1189845570.db2.gz QFTUFWHUGGKJJD-KSZLIROESA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cn(C)nc1C ZINC001087837018 1189845573 /nfs/dbraw/zinc/84/55/73/1189845573.db2.gz QFTUFWHUGGKJJD-KSZLIROESA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cn(C)nc1C ZINC001087837018 1189845574 /nfs/dbraw/zinc/84/55/74/1189845574.db2.gz QFTUFWHUGGKJJD-KSZLIROESA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cn(C)nc1C ZINC001087837018 1189845576 /nfs/dbraw/zinc/84/55/76/1189845576.db2.gz QFTUFWHUGGKJJD-KSZLIROESA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCc1ccnn1C ZINC001087837120 1189845667 /nfs/dbraw/zinc/84/56/67/1189845667.db2.gz UYKPTWHHXKCPMW-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CCc1ccnn1C ZINC001087837120 1189845668 /nfs/dbraw/zinc/84/56/68/1189845668.db2.gz UYKPTWHHXKCPMW-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CCc1ccnn1C ZINC001087837120 1189845671 /nfs/dbraw/zinc/84/56/71/1189845671.db2.gz UYKPTWHHXKCPMW-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCc1ccnn1C ZINC001087837120 1189845673 /nfs/dbraw/zinc/84/56/73/1189845673.db2.gz UYKPTWHHXKCPMW-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC001087847672 1189851550 /nfs/dbraw/zinc/85/15/50/1189851550.db2.gz LOLBISLULWRNFB-LSDHHAIUSA-N 2 1 369.429 0.388 20 0 FCADMP CN1CCC[C@@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008284 1189912563 /nfs/dbraw/zinc/91/25/63/1189912563.db2.gz CCIFCUGMKUSOPX-SJORKVTESA-N 2 1 374.489 0.731 20 0 FCADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008284 1189912582 /nfs/dbraw/zinc/91/25/82/1189912582.db2.gz CCIFCUGMKUSOPX-SJORKVTESA-N 2 1 374.489 0.731 20 0 FCADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008284 1189912588 /nfs/dbraw/zinc/91/25/88/1189912588.db2.gz CCIFCUGMKUSOPX-SJORKVTESA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008284 1189912598 /nfs/dbraw/zinc/91/25/98/1189912598.db2.gz CCIFCUGMKUSOPX-SJORKVTESA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008284 1189912605 /nfs/dbraw/zinc/91/26/05/1189912605.db2.gz CCIFCUGMKUSOPX-SJORKVTESA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000896238600 1190019705 /nfs/dbraw/zinc/01/97/05/1190019705.db2.gz VMLWLLJTLZUAPD-UHFFFAOYSA-N 2 1 373.501 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971151 1190036167 /nfs/dbraw/zinc/03/61/67/1190036167.db2.gz HUOOMYPGRPFWHF-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971151 1190036170 /nfs/dbraw/zinc/03/61/70/1190036170.db2.gz HUOOMYPGRPFWHF-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971151 1190036177 /nfs/dbraw/zinc/03/61/77/1190036177.db2.gz HUOOMYPGRPFWHF-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000896468580 1190064794 /nfs/dbraw/zinc/06/47/94/1190064794.db2.gz QABZAXPMKVCSFS-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000896468580 1190064797 /nfs/dbraw/zinc/06/47/97/1190064797.db2.gz QABZAXPMKVCSFS-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000896468580 1190064804 /nfs/dbraw/zinc/06/48/04/1190064804.db2.gz QABZAXPMKVCSFS-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984728781 1190094900 /nfs/dbraw/zinc/09/49/00/1190094900.db2.gz JJFWLTVFOKQUSZ-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984728781 1190094902 /nfs/dbraw/zinc/09/49/02/1190094902.db2.gz JJFWLTVFOKQUSZ-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986654 1190118683 /nfs/dbraw/zinc/11/86/83/1190118683.db2.gz VMTAHNDYKNGPIH-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986654 1190118685 /nfs/dbraw/zinc/11/86/85/1190118685.db2.gz VMTAHNDYKNGPIH-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986654 1190118690 /nfs/dbraw/zinc/11/86/90/1190118690.db2.gz VMTAHNDYKNGPIH-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986654 1190118695 /nfs/dbraw/zinc/11/86/95/1190118695.db2.gz VMTAHNDYKNGPIH-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001087993271 1190143731 /nfs/dbraw/zinc/14/37/31/1190143731.db2.gz HXHLJMOXQWQWTR-JTDSTZFVSA-N 2 1 362.518 0.728 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999235 1190169009 /nfs/dbraw/zinc/16/90/09/1190169009.db2.gz BZIMMUDDOPBOGM-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999235 1190169014 /nfs/dbraw/zinc/16/90/14/1190169014.db2.gz BZIMMUDDOPBOGM-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999235 1190169018 /nfs/dbraw/zinc/16/90/18/1190169018.db2.gz BZIMMUDDOPBOGM-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999630 1190169937 /nfs/dbraw/zinc/16/99/37/1190169937.db2.gz VJWBKJPGTZGBBG-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999630 1190169943 /nfs/dbraw/zinc/16/99/43/1190169943.db2.gz VJWBKJPGTZGBBG-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999630 1190169946 /nfs/dbraw/zinc/16/99/46/1190169946.db2.gz VJWBKJPGTZGBBG-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088052487 1190316506 /nfs/dbraw/zinc/31/65/06/1190316506.db2.gz UAKMTTBJDDBATL-SJORKVTESA-N 2 1 358.486 0.670 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053210 1190319298 /nfs/dbraw/zinc/31/92/98/1190319298.db2.gz YWZSZLVTWOCAGI-ZIFCJYIRSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064205 1190340352 /nfs/dbraw/zinc/34/03/52/1190340352.db2.gz RNONDFYNUWAHPL-IKGGRYGDSA-N 2 1 362.518 0.920 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001271211477 1190360160 /nfs/dbraw/zinc/36/01/60/1190360160.db2.gz OGIIFXZXVWBWJO-UHFFFAOYSA-N 2 1 361.490 0.848 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cnc(C)n4C3)C[C@@H]2C1 ZINC001088084857 1190485271 /nfs/dbraw/zinc/48/52/71/1190485271.db2.gz IFGPSZIZWFFPTQ-OAGGEKHMSA-N 2 1 359.474 0.280 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000985140180 1190628364 /nfs/dbraw/zinc/62/83/64/1190628364.db2.gz OZUMVUYDKXCTSY-ARFHVFGLSA-N 2 1 363.462 0.018 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001088317166 1190725602 /nfs/dbraw/zinc/72/56/02/1190725602.db2.gz UGANLZBNXAFBRV-OWCLPIDISA-N 2 1 363.510 0.801 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001088317166 1190725606 /nfs/dbraw/zinc/72/56/06/1190725606.db2.gz UGANLZBNXAFBRV-OWCLPIDISA-N 2 1 363.510 0.801 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000985825533 1190825153 /nfs/dbraw/zinc/82/51/53/1190825153.db2.gz AMVDNUOBZVFTQE-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985831719 1190829111 /nfs/dbraw/zinc/82/91/11/1190829111.db2.gz YPARPYYBYXNDHM-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985831719 1190829114 /nfs/dbraw/zinc/82/91/14/1190829114.db2.gz YPARPYYBYXNDHM-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986135087 1190905828 /nfs/dbraw/zinc/90/58/28/1190905828.db2.gz XUOAIKOMTCPRBL-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986135087 1190905832 /nfs/dbraw/zinc/90/58/32/1190905832.db2.gz XUOAIKOMTCPRBL-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257738 1190934138 /nfs/dbraw/zinc/93/41/38/1190934138.db2.gz BKJWJQLYEGKYTE-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001029966226 1191039974 /nfs/dbraw/zinc/03/99/74/1191039974.db2.gz OYDZLLBFDBRCCZ-JKSUJKDBSA-N 2 1 363.510 0.611 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cncn3C)CC2)O1 ZINC001029972717 1191054347 /nfs/dbraw/zinc/05/43/47/1191054347.db2.gz MLNALDMZGDKQFY-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cncn3C)CC2)O1 ZINC001029972717 1191054351 /nfs/dbraw/zinc/05/43/51/1191054351.db2.gz MLNALDMZGDKQFY-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cncn3C)CC2)O1 ZINC001029972717 1191054353 /nfs/dbraw/zinc/05/43/53/1191054353.db2.gz MLNALDMZGDKQFY-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cncn3C)CC2)O1 ZINC001029972717 1191054356 /nfs/dbraw/zinc/05/43/56/1191054356.db2.gz MLNALDMZGDKQFY-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)CC1 ZINC001276765346 1224132662 /nfs/dbraw/zinc/13/26/62/1224132662.db2.gz RSXPRXNTAIYEEV-GOSISDBHSA-N 2 1 372.460 0.730 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1CCn1cccn1 ZINC001088574806 1191214480 /nfs/dbraw/zinc/21/44/80/1191214480.db2.gz RHHYATKPZSJDGD-CVEARBPZSA-N 2 1 359.478 0.534 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550658727 1193724249 /nfs/dbraw/zinc/72/42/49/1193724249.db2.gz QRCWPBBCZSWSFP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550658727 1193724256 /nfs/dbraw/zinc/72/42/56/1193724256.db2.gz QRCWPBBCZSWSFP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550658727 1193724260 /nfs/dbraw/zinc/72/42/60/1193724260.db2.gz QRCWPBBCZSWSFP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550658727 1193724265 /nfs/dbraw/zinc/72/42/65/1193724265.db2.gz QRCWPBBCZSWSFP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000550653457 1193724714 /nfs/dbraw/zinc/72/47/14/1193724714.db2.gz IJEBJBJVQURMOT-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653457 1193724718 /nfs/dbraw/zinc/72/47/18/1193724718.db2.gz IJEBJBJVQURMOT-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653457 1193724724 /nfs/dbraw/zinc/72/47/24/1193724724.db2.gz IJEBJBJVQURMOT-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088693327 1193739640 /nfs/dbraw/zinc/73/96/40/1193739640.db2.gz VKVBKTIHRSECOO-IKGGRYGDSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088693327 1193739643 /nfs/dbraw/zinc/73/96/43/1193739643.db2.gz VKVBKTIHRSECOO-IKGGRYGDSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000551043336 1193829987 /nfs/dbraw/zinc/82/99/87/1193829987.db2.gz VFNPTOQTTQIDKZ-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000551043336 1193829988 /nfs/dbraw/zinc/82/99/88/1193829988.db2.gz VFNPTOQTTQIDKZ-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000551043336 1193829990 /nfs/dbraw/zinc/82/99/90/1193829990.db2.gz VFNPTOQTTQIDKZ-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1CC(=O)N1CCOCC1 ZINC001088709745 1193832460 /nfs/dbraw/zinc/83/24/60/1193832460.db2.gz SPBLZMUPVWXPLJ-PBHICJAKSA-N 2 1 371.441 0.386 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218557502 1224172633 /nfs/dbraw/zinc/17/26/33/1224172633.db2.gz AMELHNRMUCRTTF-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218550889 1224171571 /nfs/dbraw/zinc/17/15/71/1224171571.db2.gz RZPDAKXTXLYZEC-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105641558 1193844902 /nfs/dbraw/zinc/84/49/02/1193844902.db2.gz CLLHNLJEAWIPAT-ZAWLATJESA-N 2 1 364.490 0.804 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105641470 1193844936 /nfs/dbraw/zinc/84/49/36/1193844936.db2.gz BNWBHNABLJAJDX-UMHPPVOVSA-N 2 1 368.522 0.168 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000551331407 1193850544 /nfs/dbraw/zinc/85/05/44/1193850544.db2.gz SOTGMJCNRRNGDO-OAHLLOKOSA-N 2 1 361.490 0.678 20 0 FCADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001218555944 1224172920 /nfs/dbraw/zinc/17/29/20/1224172920.db2.gz NPUFPSBZFIZBAW-DLBZAZTESA-N 2 1 372.517 0.846 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001060037256 1193861314 /nfs/dbraw/zinc/86/13/14/1193861314.db2.gz CEMLNNRSDRFVAG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001060037256 1193861316 /nfs/dbraw/zinc/86/13/16/1193861316.db2.gz CEMLNNRSDRFVAG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001060037256 1193861322 /nfs/dbraw/zinc/86/13/22/1193861322.db2.gz CEMLNNRSDRFVAG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001060037256 1193861325 /nfs/dbraw/zinc/86/13/25/1193861325.db2.gz CEMLNNRSDRFVAG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000551931186 1193877043 /nfs/dbraw/zinc/87/70/43/1193877043.db2.gz KWJVXAJWBUNJIQ-JVSBHGNQSA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000551931186 1193877047 /nfs/dbraw/zinc/87/70/47/1193877047.db2.gz KWJVXAJWBUNJIQ-JVSBHGNQSA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000551931186 1193877048 /nfs/dbraw/zinc/87/70/48/1193877048.db2.gz KWJVXAJWBUNJIQ-JVSBHGNQSA-N 2 1 366.550 0.576 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972919 1193889522 /nfs/dbraw/zinc/88/95/22/1193889522.db2.gz PDRRZORIUDWLAA-GRDNDAEWSA-N 2 1 355.442 0.924 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972919 1193889524 /nfs/dbraw/zinc/88/95/24/1193889524.db2.gz PDRRZORIUDWLAA-GRDNDAEWSA-N 2 1 355.442 0.924 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1cncn1C ZINC001088757158 1193891861 /nfs/dbraw/zinc/89/18/61/1193891861.db2.gz LMWGYCSXNRUZRS-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1cncn1C ZINC001088757158 1193891862 /nfs/dbraw/zinc/89/18/62/1193891862.db2.gz LMWGYCSXNRUZRS-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cncn1C ZINC001088757158 1193891863 /nfs/dbraw/zinc/89/18/63/1193891863.db2.gz LMWGYCSXNRUZRS-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cncn1C ZINC001088757158 1193891866 /nfs/dbraw/zinc/89/18/66/1193891866.db2.gz LMWGYCSXNRUZRS-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000552364833 1193926774 /nfs/dbraw/zinc/92/67/74/1193926774.db2.gz FBCIOUCAHKUIMB-QGZVFWFLSA-N 3 1 369.554 0.175 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000552845500 1193954966 /nfs/dbraw/zinc/95/49/66/1193954966.db2.gz CMDITKKDBPQYTR-MRXNPFEDSA-N 2 1 370.497 0.856 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000552969373 1193961826 /nfs/dbraw/zinc/96/18/26/1193961826.db2.gz JIHHNIDBDHMKFU-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552969373 1193961828 /nfs/dbraw/zinc/96/18/28/1193961828.db2.gz JIHHNIDBDHMKFU-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000552969373 1193961829 /nfs/dbraw/zinc/96/18/29/1193961829.db2.gz JIHHNIDBDHMKFU-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC000553601219 1194009218 /nfs/dbraw/zinc/00/92/18/1194009218.db2.gz CTPNRHKOVMYTNN-UHFFFAOYSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152737922 1194093833 /nfs/dbraw/zinc/09/38/33/1194093833.db2.gz VRYKCYYXTIBLDD-XOYOTBSWSA-N 2 1 368.522 0.773 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152737922 1194093837 /nfs/dbraw/zinc/09/38/37/1194093837.db2.gz VRYKCYYXTIBLDD-XOYOTBSWSA-N 2 1 368.522 0.773 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675812 1194104371 /nfs/dbraw/zinc/10/43/71/1194104371.db2.gz RSQSPPLZNZGAJU-RGCFKVTRSA-N 2 1 368.522 0.039 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765743 1194116928 /nfs/dbraw/zinc/11/69/28/1194116928.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@@H+]1C ZINC000990765743 1194116931 /nfs/dbraw/zinc/11/69/31/1194116931.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@H+]1C ZINC000990765743 1194116935 /nfs/dbraw/zinc/11/69/35/1194116935.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 1 362.478 0.062 20 0 FCADMP Nc1cccnc1N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CC[NH2+]CC1 ZINC001218695422 1224198044 /nfs/dbraw/zinc/19/80/44/1224198044.db2.gz WIEDHYUJBCKSMM-INIZCTEOSA-N 2 1 358.490 0.623 20 0 FCADMP C[NH+](C)CCn1ncc(C(=O)NCC[N@@H+](C)CCO)c1-c1ccccc1 ZINC000899737323 1194193794 /nfs/dbraw/zinc/19/37/94/1194193794.db2.gz HGXODHWIIVZRGW-UHFFFAOYSA-N 2 1 359.474 0.766 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076105542 1194307855 /nfs/dbraw/zinc/30/78/55/1194307855.db2.gz IENOMNXZMZYFOM-DOTOQJQBSA-N 2 1 357.462 0.926 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076105542 1194307861 /nfs/dbraw/zinc/30/78/61/1194307861.db2.gz IENOMNXZMZYFOM-DOTOQJQBSA-N 2 1 357.462 0.926 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243641 1194370678 /nfs/dbraw/zinc/37/06/78/1194370678.db2.gz AYSLKHDKDGSYNS-QMTMVMCOSA-N 2 1 368.497 0.820 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243641 1194370681 /nfs/dbraw/zinc/37/06/81/1194370681.db2.gz AYSLKHDKDGSYNS-QMTMVMCOSA-N 2 1 368.497 0.820 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243641 1194370685 /nfs/dbraw/zinc/37/06/85/1194370685.db2.gz AYSLKHDKDGSYNS-QMTMVMCOSA-N 2 1 368.497 0.820 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243641 1194370692 /nfs/dbraw/zinc/37/06/92/1194370692.db2.gz AYSLKHDKDGSYNS-QMTMVMCOSA-N 2 1 368.497 0.820 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243625 1194370759 /nfs/dbraw/zinc/37/07/59/1194370759.db2.gz AIDUWLLFFSXGHT-HRCADAONSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243625 1194370762 /nfs/dbraw/zinc/37/07/62/1194370762.db2.gz AIDUWLLFFSXGHT-HRCADAONSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243625 1194370765 /nfs/dbraw/zinc/37/07/65/1194370765.db2.gz AIDUWLLFFSXGHT-HRCADAONSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794782 1224213830 /nfs/dbraw/zinc/21/38/30/1224213830.db2.gz SHHIBQVJTQCSLE-BEFAXECRSA-N 3 1 368.522 0.138 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794782 1224213840 /nfs/dbraw/zinc/21/38/40/1224213840.db2.gz SHHIBQVJTQCSLE-BEFAXECRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H](NC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C(N)=O ZINC001276794810 1224214181 /nfs/dbraw/zinc/21/41/81/1224214181.db2.gz SPKBVFXWMOSBKK-QLFBSQMISA-N 2 1 368.522 0.218 20 0 FCADMP CCOC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794930 1224214804 /nfs/dbraw/zinc/21/48/04/1224214804.db2.gz UWNFYTYHGIHHCZ-SPYBWZPUSA-N 2 1 369.506 0.611 20 0 FCADMP COC(=O)c1cc(-c2ccn(C(=O)C[NH2+]CCC[NH3+])c(=N)c2N)ccc1C ZINC001218771050 1224217306 /nfs/dbraw/zinc/21/73/06/1224217306.db2.gz NXKQRGKVKDCDPB-UHFFFAOYSA-N 2 1 371.441 0.890 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076406583 1194452331 /nfs/dbraw/zinc/45/23/31/1194452331.db2.gz SEGSLFZDGMVKOB-IAOVAPTHSA-N 2 1 366.425 0.302 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076406583 1194452336 /nfs/dbraw/zinc/45/23/36/1194452336.db2.gz SEGSLFZDGMVKOB-IAOVAPTHSA-N 2 1 366.425 0.302 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001076407751 1194453585 /nfs/dbraw/zinc/45/35/85/1194453585.db2.gz VJFKPHJCLJVMRE-FUHWJXTLSA-N 2 1 361.490 0.527 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447093 1194501497 /nfs/dbraw/zinc/50/14/97/1194501497.db2.gz PRHCAXHLBLSZMK-OKZBNKHCSA-N 2 1 362.518 0.905 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461899 1194505343 /nfs/dbraw/zinc/50/53/43/1194505343.db2.gz AKNGHFZBGMQSNT-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461899 1194505353 /nfs/dbraw/zinc/50/53/53/1194505353.db2.gz AKNGHFZBGMQSNT-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461899 1194505360 /nfs/dbraw/zinc/50/53/60/1194505360.db2.gz AKNGHFZBGMQSNT-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789638 1224221105 /nfs/dbraw/zinc/22/11/05/1224221105.db2.gz OCMHEHMQYDPMCY-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789638 1224221121 /nfs/dbraw/zinc/22/11/21/1224221121.db2.gz OCMHEHMQYDPMCY-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461898 1194506030 /nfs/dbraw/zinc/50/60/30/1194506030.db2.gz AKNGHFZBGMQSNT-HRCADAONSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461898 1194506036 /nfs/dbraw/zinc/50/60/36/1194506036.db2.gz AKNGHFZBGMQSNT-HRCADAONSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076461898 1194506041 /nfs/dbraw/zinc/50/60/41/1194506041.db2.gz AKNGHFZBGMQSNT-HRCADAONSA-N 2 1 362.474 0.010 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001218918635 1224257274 /nfs/dbraw/zinc/25/72/74/1224257274.db2.gz IFNDYVKEKDUVBI-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001218918635 1224257280 /nfs/dbraw/zinc/25/72/80/1224257280.db2.gz IFNDYVKEKDUVBI-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001218918635 1224257290 /nfs/dbraw/zinc/25/72/90/1224257290.db2.gz IFNDYVKEKDUVBI-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563623 1195223706 /nfs/dbraw/zinc/22/37/06/1195223706.db2.gz YCDNPEXASWMIMZ-MSOLQXFVSA-N 2 1 365.518 0.840 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077131614 1195247431 /nfs/dbraw/zinc/24/74/31/1195247431.db2.gz ILSRFASXLRWLCW-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077131614 1195247438 /nfs/dbraw/zinc/24/74/38/1195247438.db2.gz ILSRFASXLRWLCW-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077131614 1195247448 /nfs/dbraw/zinc/24/74/48/1195247448.db2.gz ILSRFASXLRWLCW-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2O)O1 ZINC001077222242 1195330471 /nfs/dbraw/zinc/33/04/71/1195330471.db2.gz BFSPWJYAALZYAI-NXWXRZEISA-N 2 1 361.486 0.500 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2O)O1 ZINC001077222242 1195330475 /nfs/dbraw/zinc/33/04/75/1195330475.db2.gz BFSPWJYAALZYAI-NXWXRZEISA-N 2 1 361.486 0.500 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]2O)O1 ZINC001077222242 1195330481 /nfs/dbraw/zinc/33/04/81/1195330481.db2.gz BFSPWJYAALZYAI-NXWXRZEISA-N 2 1 361.486 0.500 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2O)O1 ZINC001077222242 1195330485 /nfs/dbraw/zinc/33/04/85/1195330485.db2.gz BFSPWJYAALZYAI-NXWXRZEISA-N 2 1 361.486 0.500 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366656 1195466352 /nfs/dbraw/zinc/46/63/52/1195466352.db2.gz UKSHAEMLEYTJHV-ZTFGCOKTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077393761 1195491127 /nfs/dbraw/zinc/49/11/27/1195491127.db2.gz KMHDGBRANXMLBG-IAGOWNOFSA-N 2 1 371.441 0.122 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219004253 1224285169 /nfs/dbraw/zinc/28/51/69/1224285169.db2.gz CETGFADTTGMFIV-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@@H]21 ZINC001219006691 1224285895 /nfs/dbraw/zinc/28/58/95/1224285895.db2.gz SFFQMPPANJHFFO-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@@H]21 ZINC001219006691 1224285903 /nfs/dbraw/zinc/28/59/03/1224285903.db2.gz SFFQMPPANJHFFO-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@@H]21 ZINC001219006691 1224285911 /nfs/dbraw/zinc/28/59/11/1224285911.db2.gz SFFQMPPANJHFFO-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@@H]21 ZINC001219006691 1224285920 /nfs/dbraw/zinc/28/59/20/1224285920.db2.gz SFFQMPPANJHFFO-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418744 1195517429 /nfs/dbraw/zinc/51/74/29/1195517429.db2.gz ZAOLWDYTFYAULT-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418744 1195517435 /nfs/dbraw/zinc/51/74/35/1195517435.db2.gz ZAOLWDYTFYAULT-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418744 1195517439 /nfs/dbraw/zinc/51/74/39/1195517439.db2.gz ZAOLWDYTFYAULT-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4CCOC5)n3)cn2)CC1 ZINC000904660459 1195545024 /nfs/dbraw/zinc/54/50/24/1195545024.db2.gz VEVCORNKHLOMBQ-BEFAXECRSA-N 2 1 370.457 0.761 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccn1CCN1CCOCC1 ZINC000906459102 1195631393 /nfs/dbraw/zinc/63/13/93/1195631393.db2.gz JNPIPIRVQSEDCT-DLBZAZTESA-N 2 1 362.474 0.413 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)C1 ZINC000906604680 1195641763 /nfs/dbraw/zinc/64/17/63/1195641763.db2.gz FLXCVNRPADUIIR-KRWDZBQOSA-N 2 1 365.522 0.620 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000906604680 1195641765 /nfs/dbraw/zinc/64/17/65/1195641765.db2.gz FLXCVNRPADUIIR-KRWDZBQOSA-N 2 1 365.522 0.620 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000906604680 1195641768 /nfs/dbraw/zinc/64/17/68/1195641768.db2.gz FLXCVNRPADUIIR-KRWDZBQOSA-N 2 1 365.522 0.620 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)C1 ZINC000906652607 1195642755 /nfs/dbraw/zinc/64/27/55/1195642755.db2.gz NYFDVAGTAYPKRX-INIZCTEOSA-N 2 1 359.474 0.322 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000906684459 1195646138 /nfs/dbraw/zinc/64/61/38/1195646138.db2.gz ALLVRTBQFZWERU-UHFFFAOYSA-N 2 1 374.529 0.753 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000907288932 1195686981 /nfs/dbraw/zinc/68/69/81/1195686981.db2.gz YMTCKIZCMRNLQZ-FQEVSTJZSA-N 2 1 374.529 0.753 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000907288932 1195686984 /nfs/dbraw/zinc/68/69/84/1195686984.db2.gz YMTCKIZCMRNLQZ-FQEVSTJZSA-N 2 1 374.529 0.753 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000907288932 1195686989 /nfs/dbraw/zinc/68/69/89/1195686989.db2.gz YMTCKIZCMRNLQZ-FQEVSTJZSA-N 2 1 374.529 0.753 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909315304 1195792864 /nfs/dbraw/zinc/79/28/64/1195792864.db2.gz IEIMZECGABFJHA-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633221 1195806552 /nfs/dbraw/zinc/80/65/52/1195806552.db2.gz NNWSDEUZAOURJR-XKQJLSEDSA-N 2 1 357.414 0.079 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CCN1c1cc[nH+]cc1 ZINC000910700534 1195834732 /nfs/dbraw/zinc/83/47/32/1195834732.db2.gz SJKAEXGJWQFJEQ-OAHLLOKOSA-N 2 1 359.474 0.671 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000910977627 1195872944 /nfs/dbraw/zinc/87/29/44/1195872944.db2.gz VPFKBXNLKORQEH-YJBOKZPZSA-N 2 1 374.485 0.067 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911092196 1195887780 /nfs/dbraw/zinc/88/77/80/1195887780.db2.gz REXOPUUDRWAYPS-BMGDILEWSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911195524 1195918658 /nfs/dbraw/zinc/91/86/58/1195918658.db2.gz ULDPUTCXNXXOMY-GDAAHCPNSA-N 2 1 370.497 0.691 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001219052237 1224321564 /nfs/dbraw/zinc/32/15/64/1224321564.db2.gz NQLZBSDPVRSDIB-DLBZAZTESA-N 2 1 362.478 0.066 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001219052237 1224321576 /nfs/dbraw/zinc/32/15/76/1224321576.db2.gz NQLZBSDPVRSDIB-DLBZAZTESA-N 2 1 362.478 0.066 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1=O ZINC000911840506 1196314376 /nfs/dbraw/zinc/31/43/76/1196314376.db2.gz XTPJZUDSORMSGJ-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360974 1196321543 /nfs/dbraw/zinc/32/15/43/1196321543.db2.gz OLTLRJXSVGSKGW-XLMAVXFVSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360974 1196321546 /nfs/dbraw/zinc/32/15/46/1196321546.db2.gz OLTLRJXSVGSKGW-XLMAVXFVSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCn2cncn2)CC3)O1 ZINC000991360974 1196321552 /nfs/dbraw/zinc/32/15/52/1196321552.db2.gz OLTLRJXSVGSKGW-XLMAVXFVSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)O1 ZINC000991360974 1196321555 /nfs/dbraw/zinc/32/15/55/1196321555.db2.gz OLTLRJXSVGSKGW-XLMAVXFVSA-N 2 1 362.478 0.110 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)c1 ZINC001083654320 1196346489 /nfs/dbraw/zinc/34/64/89/1196346489.db2.gz IEYQKZHDUBDKSO-DXWXDBEXSA-N 2 1 371.481 0.520 20 0 FCADMP O=C(CC[N@@H+]1CCc2ccccc2C1)NCC[NH+]1CCC2(C1)OCCO2 ZINC000912896282 1196382161 /nfs/dbraw/zinc/38/21/61/1196382161.db2.gz CBTBMTPKYKOTEJ-UHFFFAOYSA-N 2 1 359.470 1.000 20 0 FCADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCC[NH+]1CCC2(C1)OCCO2 ZINC000912896282 1196382166 /nfs/dbraw/zinc/38/21/66/1196382166.db2.gz CBTBMTPKYKOTEJ-UHFFFAOYSA-N 2 1 359.470 1.000 20 0 FCADMP O=C(CC[NH+]1CCc2ccccc2C1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896282 1196382170 /nfs/dbraw/zinc/38/21/70/1196382170.db2.gz CBTBMTPKYKOTEJ-UHFFFAOYSA-N 2 1 359.470 1.000 20 0 FCADMP O=C(CC[NH+]1CCc2ccccc2C1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896282 1196382173 /nfs/dbraw/zinc/38/21/73/1196382173.db2.gz CBTBMTPKYKOTEJ-UHFFFAOYSA-N 2 1 359.470 1.000 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958943 1196600571 /nfs/dbraw/zinc/60/05/71/1196600571.db2.gz AGSTZVGYQCHDBK-HUUCEWRRSA-N 3 1 360.506 0.618 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958943 1196600575 /nfs/dbraw/zinc/60/05/75/1196600575.db2.gz AGSTZVGYQCHDBK-HUUCEWRRSA-N 3 1 360.506 0.618 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)no1 ZINC001105946052 1196749978 /nfs/dbraw/zinc/74/99/78/1196749978.db2.gz JSNLQJKHZPUWPC-YUELXQCFSA-N 2 1 363.462 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001105946127 1196750248 /nfs/dbraw/zinc/75/02/48/1196750248.db2.gz LOADXWMAXNBWBL-OAGGEKHMSA-N 2 1 367.538 0.862 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052926 1196876202 /nfs/dbraw/zinc/87/62/02/1196876202.db2.gz DRUSWQHWYLFQEN-COXVUDFISA-N 2 1 364.494 0.195 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052926 1196876203 /nfs/dbraw/zinc/87/62/03/1196876203.db2.gz DRUSWQHWYLFQEN-COXVUDFISA-N 2 1 364.494 0.195 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052926 1196876205 /nfs/dbraw/zinc/87/62/05/1196876205.db2.gz DRUSWQHWYLFQEN-COXVUDFISA-N 2 1 364.494 0.195 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3nc(C)nc3C)[C@@H]2C)C1 ZINC001089052926 1196876206 /nfs/dbraw/zinc/87/62/06/1196876206.db2.gz DRUSWQHWYLFQEN-COXVUDFISA-N 2 1 364.494 0.195 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001219193692 1224382202 /nfs/dbraw/zinc/38/22/02/1224382202.db2.gz JCIMTSMRTDMYHC-ZFWWWQNUSA-N 2 1 371.407 0.738 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)c2ccccc2)CC[N@H+]1C ZINC001272415492 1197067714 /nfs/dbraw/zinc/06/77/14/1197067714.db2.gz YKBDAGXPSKSQTJ-HYVNUMGLSA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCCCC2)CC[N@H+]1C ZINC001272424935 1197072979 /nfs/dbraw/zinc/07/29/79/1197072979.db2.gz DYNBHJKQWJKZAS-DJIMGWMZSA-N 2 1 368.522 0.232 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000913680670 1197106827 /nfs/dbraw/zinc/10/68/27/1197106827.db2.gz YMRSEIVTPULHDM-LJQANCHMSA-N 2 1 374.529 0.890 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001219261855 1224406543 /nfs/dbraw/zinc/40/65/43/1224406543.db2.gz CBBIPEMDMLRMKY-YOEHRIQHSA-N 2 1 360.414 0.513 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001219262549 1224406826 /nfs/dbraw/zinc/40/68/26/1224406826.db2.gz YTZOSMALGLOZEC-STQMWFEESA-N 2 1 359.430 0.337 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000992932592 1197610631 /nfs/dbraw/zinc/61/06/31/1197610631.db2.gz BWJXHFZDHBRXLB-TXPKVOOTSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000992932592 1197610634 /nfs/dbraw/zinc/61/06/34/1197610634.db2.gz BWJXHFZDHBRXLB-TXPKVOOTSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000992937207 1197618422 /nfs/dbraw/zinc/61/84/22/1197618422.db2.gz BWGMTISYDROOET-XNWPKKHHSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000992937207 1197618424 /nfs/dbraw/zinc/61/84/24/1197618424.db2.gz BWGMTISYDROOET-XNWPKKHHSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC000992990405 1197647352 /nfs/dbraw/zinc/64/73/52/1197647352.db2.gz BWGMTISYDROOET-OYRIPWCXSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC000992990405 1197647353 /nfs/dbraw/zinc/64/73/53/1197647353.db2.gz BWGMTISYDROOET-OYRIPWCXSA-N 2 1 373.501 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992991063 1197649758 /nfs/dbraw/zinc/64/97/58/1197649758.db2.gz LLHZUODHFVGVDR-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106211158 1197701740 /nfs/dbraw/zinc/70/17/40/1197701740.db2.gz SOUAXHPDWZDGSY-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041027 1197724363 /nfs/dbraw/zinc/72/43/63/1197724363.db2.gz QUXTTXRHEIWOMN-XAUMDUMWSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041027 1197724373 /nfs/dbraw/zinc/72/43/73/1197724373.db2.gz QUXTTXRHEIWOMN-XAUMDUMWSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041027 1197724399 /nfs/dbraw/zinc/72/43/99/1197724399.db2.gz QUXTTXRHEIWOMN-XAUMDUMWSA-N 2 1 362.518 0.872 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734283733 1197745808 /nfs/dbraw/zinc/74/58/08/1197745808.db2.gz SPCXJOZXUZPSLO-SFHVURJKSA-N 2 1 368.522 0.994 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106247826 1197780046 /nfs/dbraw/zinc/78/00/46/1197780046.db2.gz CRFLLFZKEVOGQI-IXDOHACOSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106248712 1197781135 /nfs/dbraw/zinc/78/11/35/1197781135.db2.gz XBOJFLALZXIHKI-KZNAEPCWSA-N 2 1 362.522 0.940 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993098798 1197821620 /nfs/dbraw/zinc/82/16/20/1197821620.db2.gz VGWBAFVVIYPQAP-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000993134024 1197854004 /nfs/dbraw/zinc/85/40/04/1197854004.db2.gz IIGMTQSAZJHIMM-QFBILLFUSA-N 2 1 371.485 0.594 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310274 1197861504 /nfs/dbraw/zinc/86/15/04/1197861504.db2.gz PGPDJRGXWPTMQU-QBPKDAKJSA-N 2 1 368.522 0.256 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310274 1197861506 /nfs/dbraw/zinc/86/15/06/1197861506.db2.gz PGPDJRGXWPTMQU-QBPKDAKJSA-N 2 1 368.522 0.256 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323079 1197864223 /nfs/dbraw/zinc/86/42/23/1197864223.db2.gz XICASWDMBAAQGH-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278874 1197946627 /nfs/dbraw/zinc/94/66/27/1197946627.db2.gz PTBOOJYFKBBVBV-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278874 1197946633 /nfs/dbraw/zinc/94/66/33/1197946633.db2.gz PTBOOJYFKBBVBV-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066278874 1197946638 /nfs/dbraw/zinc/94/66/38/1197946638.db2.gz PTBOOJYFKBBVBV-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066278874 1197946644 /nfs/dbraw/zinc/94/66/44/1197946644.db2.gz PTBOOJYFKBBVBV-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716141 1197947898 /nfs/dbraw/zinc/94/78/98/1197947898.db2.gz KIQXYZOUGXPBND-AZUAARDMSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716141 1197947902 /nfs/dbraw/zinc/94/79/02/1197947902.db2.gz KIQXYZOUGXPBND-AZUAARDMSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716141 1197947905 /nfs/dbraw/zinc/94/79/05/1197947905.db2.gz KIQXYZOUGXPBND-AZUAARDMSA-N 2 1 374.529 0.479 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001273350167 1197958942 /nfs/dbraw/zinc/95/89/42/1197958942.db2.gz LLRIATYFDANYCH-QGZVFWFLSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273350576 1197960974 /nfs/dbraw/zinc/96/09/74/1197960974.db2.gz VVYVSSYBJMYEEZ-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106577635 1198020577 /nfs/dbraw/zinc/02/05/77/1198020577.db2.gz OUQCONKHQJFEEV-ZACQAIPSSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106577635 1198020586 /nfs/dbraw/zinc/02/05/86/1198020586.db2.gz OUQCONKHQJFEEV-ZACQAIPSSA-N 2 1 364.494 0.071 20 0 FCADMP CNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832543 1198020751 /nfs/dbraw/zinc/02/07/51/1198020751.db2.gz JONSOSFHFGUBOH-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577374 1198020978 /nfs/dbraw/zinc/02/09/78/1198020978.db2.gz HTCBCGWYQMLADM-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577374 1198020989 /nfs/dbraw/zinc/02/09/89/1198020989.db2.gz HTCBCGWYQMLADM-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577666 1198021122 /nfs/dbraw/zinc/02/11/22/1198021122.db2.gz PMZOTZNSXPDVFB-KURKYZTESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577666 1198021126 /nfs/dbraw/zinc/02/11/26/1198021126.db2.gz PMZOTZNSXPDVFB-KURKYZTESA-N 2 1 371.522 0.443 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001086089780 1198148743 /nfs/dbraw/zinc/14/87/43/1198148743.db2.gz PWKVWGCNZLOTRV-XUWVNRHRSA-N 2 1 366.485 0.962 20 0 FCADMP NC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3CCCc4c[nH+]cn43)CC2)CC1 ZINC001273403075 1198200281 /nfs/dbraw/zinc/20/02/81/1198200281.db2.gz WJYFNNRYAARLOQ-QGZVFWFLSA-N 2 1 359.474 0.949 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129327186 1198230453 /nfs/dbraw/zinc/23/04/53/1198230453.db2.gz PSMCXFSNJYOETK-IXDOHACOSA-N 2 1 366.510 0.368 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129327186 1198230472 /nfs/dbraw/zinc/23/04/72/1198230472.db2.gz PSMCXFSNJYOETK-IXDOHACOSA-N 2 1 366.510 0.368 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006288354 1198248850 /nfs/dbraw/zinc/24/88/50/1198248850.db2.gz MTNLWONLHIYSEZ-VQHPVUNQSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cncn2C)C1 ZINC001006289151 1198252216 /nfs/dbraw/zinc/25/22/16/1198252216.db2.gz PWUGZWSNSNKKFS-ABFRBSLYSA-N 2 1 359.474 0.553 20 0 FCADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001006332889 1199013247 /nfs/dbraw/zinc/01/32/47/1199013247.db2.gz BLTIZMKKEICJEN-CKEIUWERSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001006332889 1199013257 /nfs/dbraw/zinc/01/32/57/1199013257.db2.gz BLTIZMKKEICJEN-CKEIUWERSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)CN1N=C(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC1=O ZINC000766394663 1199027220 /nfs/dbraw/zinc/02/72/20/1199027220.db2.gz UDVQYSZFPRRPJV-HNNXBMFYSA-N 2 1 363.506 0.906 20 0 FCADMP CC(C)CN1N=C(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1=O ZINC000766394663 1199027223 /nfs/dbraw/zinc/02/72/23/1199027223.db2.gz UDVQYSZFPRRPJV-HNNXBMFYSA-N 2 1 363.506 0.906 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)CC1 ZINC001169255948 1199059689 /nfs/dbraw/zinc/05/96/89/1199059689.db2.gz WGPMKFASXRQTFR-RCCFBDPRSA-N 2 1 361.490 0.866 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)CC1 ZINC001169255948 1199059693 /nfs/dbraw/zinc/05/96/93/1199059693.db2.gz WGPMKFASXRQTFR-RCCFBDPRSA-N 2 1 361.490 0.866 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129337647 1199078823 /nfs/dbraw/zinc/07/88/23/1199078823.db2.gz RPYYFHPWRCXNCK-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652374 1224545136 /nfs/dbraw/zinc/54/51/36/1224545136.db2.gz WABMYHVNTHDGFQ-DFOOCIKTSA-N 2 1 363.506 0.966 20 0 FCADMP C[NH2+][C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725199 1224578474 /nfs/dbraw/zinc/57/84/74/1224578474.db2.gz BMQNSRHBOBXSCV-NEWSRXKRSA-N 3 1 374.529 0.573 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNC(=O)N1 ZINC001219726136 1224578684 /nfs/dbraw/zinc/57/86/84/1224578684.db2.gz IHQGBEVFLWOEGE-IRXDYDNUSA-N 2 1 371.485 0.286 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219726756 1224579622 /nfs/dbraw/zinc/57/96/22/1224579622.db2.gz OICGDUXGHNFIJM-QYZOEREBSA-N 3 1 372.513 0.327 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219731632 1224582921 /nfs/dbraw/zinc/58/29/21/1224582921.db2.gz FEHJGDWAXZSRGY-ZNMIVQPWSA-N 2 1 371.457 0.152 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219731632 1224582926 /nfs/dbraw/zinc/58/29/26/1224582926.db2.gz FEHJGDWAXZSRGY-ZNMIVQPWSA-N 2 1 371.457 0.152 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767945902 1200043255 /nfs/dbraw/zinc/04/32/55/1200043255.db2.gz UQROYNSTPZXHSP-TVFCKZIOSA-N 2 1 366.506 0.527 20 0 FCADMP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219741276 1224587289 /nfs/dbraw/zinc/58/72/89/1224587289.db2.gz FZDKRJUTZANBKK-FUHWJXTLSA-N 2 1 364.534 0.868 20 0 FCADMP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219741278 1224587487 /nfs/dbraw/zinc/58/74/87/1224587487.db2.gz FZDKRJUTZANBKK-WMZOPIPTSA-N 2 1 364.534 0.868 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384736 1200088671 /nfs/dbraw/zinc/08/86/71/1200088671.db2.gz AEOXBUJPMDABFE-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384736 1200088678 /nfs/dbraw/zinc/08/86/78/1200088678.db2.gz AEOXBUJPMDABFE-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384736 1200088686 /nfs/dbraw/zinc/08/86/86/1200088686.db2.gz AEOXBUJPMDABFE-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109462848 1200303423 /nfs/dbraw/zinc/30/34/23/1200303423.db2.gz SVWSKABOPRMLIH-ILXRZTDVSA-N 2 1 364.490 0.587 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109462848 1200303429 /nfs/dbraw/zinc/30/34/29/1200303429.db2.gz SVWSKABOPRMLIH-ILXRZTDVSA-N 2 1 364.490 0.587 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109462848 1200303434 /nfs/dbraw/zinc/30/34/34/1200303434.db2.gz SVWSKABOPRMLIH-ILXRZTDVSA-N 2 1 364.490 0.587 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109462848 1200303436 /nfs/dbraw/zinc/30/34/36/1200303436.db2.gz SVWSKABOPRMLIH-ILXRZTDVSA-N 2 1 364.490 0.587 20 0 FCADMP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772161 1224606198 /nfs/dbraw/zinc/60/61/98/1224606198.db2.gz XPYGDZAHPZHNHU-YLJYHZDGSA-N 3 1 360.477 0.916 20 0 FCADMP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772161 1224606209 /nfs/dbraw/zinc/60/62/09/1224606209.db2.gz XPYGDZAHPZHNHU-YLJYHZDGSA-N 3 1 360.477 0.916 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650140 1200441711 /nfs/dbraw/zinc/44/17/11/1200441711.db2.gz UUQZBSVKDZOZDO-NCOADZHNSA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC1CCOCC1 ZINC001109672331 1200459976 /nfs/dbraw/zinc/45/99/76/1200459976.db2.gz BZRUKBMZNCSAJF-FZCLSBEQSA-N 2 1 369.506 0.216 20 0 FCADMP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793161 1224615818 /nfs/dbraw/zinc/61/58/18/1224615818.db2.gz AVUBTMNAUUOXIY-OXQOHEQNSA-N 2 1 364.534 0.868 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219794371 1224616090 /nfs/dbraw/zinc/61/60/90/1224616090.db2.gz YCDJZZIBPSDIHI-UZLBHIALSA-N 2 1 364.534 0.868 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001109868235 1200578128 /nfs/dbraw/zinc/57/81/28/1200578128.db2.gz HRMQQNGJTDMPTB-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001109868235 1200578133 /nfs/dbraw/zinc/57/81/33/1200578133.db2.gz HRMQQNGJTDMPTB-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CCC1 ZINC001219802478 1224620746 /nfs/dbraw/zinc/62/07/46/1224620746.db2.gz PSGFBZDLKLCGPI-KURKYZTESA-N 2 1 361.486 0.236 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975993 1200657068 /nfs/dbraw/zinc/65/70/68/1200657068.db2.gz MYKPYZIPDSTEDF-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975993 1200657078 /nfs/dbraw/zinc/65/70/78/1200657078.db2.gz MYKPYZIPDSTEDF-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975993 1200657085 /nfs/dbraw/zinc/65/70/85/1200657085.db2.gz MYKPYZIPDSTEDF-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975993 1200657090 /nfs/dbraw/zinc/65/70/90/1200657090.db2.gz MYKPYZIPDSTEDF-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977649 1200659708 /nfs/dbraw/zinc/65/97/08/1200659708.db2.gz STNODTSEGIWKRY-IKGGRYGDSA-N 2 1 364.494 0.195 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980485 1200664574 /nfs/dbraw/zinc/66/45/74/1200664574.db2.gz ORJGALSIQXJAJU-QZWWFDLISA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980485 1200664579 /nfs/dbraw/zinc/66/45/79/1200664579.db2.gz ORJGALSIQXJAJU-QZWWFDLISA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982703 1200675835 /nfs/dbraw/zinc/67/58/35/1200675835.db2.gz OPAHWOXVKUCNBT-BDXSIMOUSA-N 2 1 365.518 0.837 20 0 FCADMP [NH3+]C[C@H](Cc1ccccc1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806052 1224625863 /nfs/dbraw/zinc/62/58/63/1224625863.db2.gz HQOFQLOKOCAISV-HNNXBMFYSA-N 2 1 355.442 0.170 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579391 1200819235 /nfs/dbraw/zinc/81/92/35/1200819235.db2.gz LBLJYERVUIXFKF-LPHOPBHVSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000787123500 1200869444 /nfs/dbraw/zinc/86/94/44/1200869444.db2.gz LJPKQGZJJPXWOH-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787123098 1200869664 /nfs/dbraw/zinc/86/96/64/1200869664.db2.gz JZUFFDYDUHRIAZ-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000788460774 1200961949 /nfs/dbraw/zinc/96/19/49/1200961949.db2.gz PZJJKIHRBQMURI-MSOLQXFVSA-N 2 1 374.485 0.344 20 0 FCADMP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219831458 1224643732 /nfs/dbraw/zinc/64/37/32/1224643732.db2.gz LPZCUBLQILEGKW-YRXWBPOGSA-N 3 1 370.497 0.201 20 0 FCADMP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219831458 1224643734 /nfs/dbraw/zinc/64/37/34/1224643734.db2.gz LPZCUBLQILEGKW-YRXWBPOGSA-N 3 1 370.497 0.201 20 0 FCADMP O=C1O[C@@]2(CN1C[NH+]1CCC(Cn3ccnn3)CC1)C[NH+]1CCC2CC1 ZINC000790368540 1201075043 /nfs/dbraw/zinc/07/50/43/1201075043.db2.gz JWECTYQKONIJSX-GOSISDBHSA-N 2 1 360.462 0.864 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086600439 1201151888 /nfs/dbraw/zinc/15/18/88/1201151888.db2.gz SYPBPMNIMDEEPU-FIKVRJJBSA-N 2 1 371.481 0.426 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1c1ccccc1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086600439 1201151891 /nfs/dbraw/zinc/15/18/91/1201151891.db2.gz SYPBPMNIMDEEPU-FIKVRJJBSA-N 2 1 371.481 0.426 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(CC)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001114304095 1201294013 /nfs/dbraw/zinc/29/40/13/1201294013.db2.gz KOOULSFDUHWYIW-DOEOUOAPSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(CC)C4CC4)C[C@H]32)CC[NH+]1C ZINC001114304095 1201294016 /nfs/dbraw/zinc/29/40/16/1201294016.db2.gz KOOULSFDUHWYIW-DOEOUOAPSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(CC)C4CC4)C[C@H]32)CC[NH+]1C ZINC001114304095 1201294021 /nfs/dbraw/zinc/29/40/21/1201294021.db2.gz KOOULSFDUHWYIW-DOEOUOAPSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412399 1201299982 /nfs/dbraw/zinc/29/99/82/1201299982.db2.gz QBQQOMFHAWLPRQ-IMJJTQAJSA-N 2 1 363.441 0.734 20 0 FCADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433639 1201313031 /nfs/dbraw/zinc/31/30/31/1201313031.db2.gz KCBODNABVSFYBN-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O)[NH+](C)C ZINC001219874872 1224666994 /nfs/dbraw/zinc/66/69/94/1224666994.db2.gz GAYXCRDHFJDXHK-QRVBRYPASA-N 2 1 371.485 0.874 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O)[NH+](C)C ZINC001219874872 1224667000 /nfs/dbraw/zinc/66/70/00/1224667000.db2.gz GAYXCRDHFJDXHK-QRVBRYPASA-N 2 1 371.485 0.874 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623660 1201351052 /nfs/dbraw/zinc/35/10/52/1201351052.db2.gz PNLYBWQBOHYQMJ-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623660 1201351059 /nfs/dbraw/zinc/35/10/59/1201351059.db2.gz PNLYBWQBOHYQMJ-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086623660 1201351065 /nfs/dbraw/zinc/35/10/65/1201351065.db2.gz PNLYBWQBOHYQMJ-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086623660 1201351070 /nfs/dbraw/zinc/35/10/70/1201351070.db2.gz PNLYBWQBOHYQMJ-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857614 1201406346 /nfs/dbraw/zinc/40/63/46/1201406346.db2.gz AVXJLYUXGPVMGI-VQHPVUNQSA-N 2 1 364.494 0.385 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858040 1201406431 /nfs/dbraw/zinc/40/64/31/1201406431.db2.gz MKRIASBIQGMFFB-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129884020 1201412729 /nfs/dbraw/zinc/41/27/29/1201412729.db2.gz GSMMNLJVDHUCLQ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895497 1201429508 /nfs/dbraw/zinc/42/95/08/1201429508.db2.gz AMQOZNRRMAOZTM-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001129918813 1201440988 /nfs/dbraw/zinc/44/09/88/1201440988.db2.gz KAWXMAOIFZIPKF-XHSDSOJGSA-N 2 1 366.510 0.775 20 0 FCADMP C[N@@H+](CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C1CCCCC1 ZINC001129948886 1201447010 /nfs/dbraw/zinc/44/70/10/1201447010.db2.gz FBFAPHOXMGMDTH-SJORKVTESA-N 2 1 364.494 0.267 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984903 1201463589 /nfs/dbraw/zinc/46/35/89/1201463589.db2.gz ISNNSRKMUXMHCD-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2n2ccnn2)o1 ZINC001129986983 1201468795 /nfs/dbraw/zinc/46/87/95/1201468795.db2.gz SYTQGGPUALTSOZ-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014630 1201472252 /nfs/dbraw/zinc/47/22/52/1201472252.db2.gz WMPAECZUDRYYNJ-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006150 1201476511 /nfs/dbraw/zinc/47/65/11/1201476511.db2.gz VVMWVJBNVJGTLD-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040734 1201478103 /nfs/dbraw/zinc/47/81/03/1201478103.db2.gz JOISTSQLDBYNJV-XHSDSOJGSA-N 2 1 368.457 0.090 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030664 1201481023 /nfs/dbraw/zinc/48/10/23/1201481023.db2.gz LMGQUSAOZYQGGP-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130081165 1201492184 /nfs/dbraw/zinc/49/21/84/1201492184.db2.gz AQFLHHYIJRCMQR-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086270 1201494134 /nfs/dbraw/zinc/49/41/34/1201494134.db2.gz SWIOPNGDXOUVKM-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001130106954 1201501856 /nfs/dbraw/zinc/50/18/56/1201501856.db2.gz BDTBXYRGLYFDLH-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137086 1201514239 /nfs/dbraw/zinc/51/42/39/1201514239.db2.gz IFHVEMSETHVZPV-CABCVRRESA-N 2 1 361.450 0.456 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137086 1201514241 /nfs/dbraw/zinc/51/42/41/1201514241.db2.gz IFHVEMSETHVZPV-CABCVRRESA-N 2 1 361.450 0.456 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCc3ccccc3NC2=O)O1 ZINC001130182367 1201525426 /nfs/dbraw/zinc/52/54/26/1201525426.db2.gz DWGWFDZVQJGBDU-KBRIMQKVSA-N 2 1 360.458 0.365 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCc3ccccc3NC2=O)O1 ZINC001130182367 1201525428 /nfs/dbraw/zinc/52/54/28/1201525428.db2.gz DWGWFDZVQJGBDU-KBRIMQKVSA-N 2 1 360.458 0.365 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1cccc(F)c1 ZINC001130184304 1201536116 /nfs/dbraw/zinc/53/61/16/1201536116.db2.gz KPCZPHSERYPJBW-DVOMOZLQSA-N 2 1 366.437 0.578 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1cccc(F)c1 ZINC001130184304 1201536119 /nfs/dbraw/zinc/53/61/19/1201536119.db2.gz KPCZPHSERYPJBW-DVOMOZLQSA-N 2 1 366.437 0.578 20 0 FCADMP CCOc1ccccc1OCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184581 1201537092 /nfs/dbraw/zinc/53/70/92/1201537092.db2.gz VMYAZEVLAVRNML-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP CCOc1ccccc1OCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184581 1201537095 /nfs/dbraw/zinc/53/70/95/1201537095.db2.gz VMYAZEVLAVRNML-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP Cc1ccc(NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130184654 1201537121 /nfs/dbraw/zinc/53/71/21/1201537121.db2.gz WVUUBBQNTANTPS-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1ccc(NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130184654 1201537127 /nfs/dbraw/zinc/53/71/27/1201537127.db2.gz WVUUBBQNTANTPS-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CCCCC1 ZINC001130184751 1201537543 /nfs/dbraw/zinc/53/75/43/1201537543.db2.gz ZIGITAFVVKMGOV-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CCCCC1 ZINC001130184751 1201537550 /nfs/dbraw/zinc/53/75/50/1201537550.db2.gz ZIGITAFVVKMGOV-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001219922889 1224682203 /nfs/dbraw/zinc/68/22/03/1224682203.db2.gz MVIAPUKEDPNWFN-SJORKVTESA-N 2 1 363.506 0.697 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001219922889 1224682207 /nfs/dbraw/zinc/68/22/07/1224682207.db2.gz MVIAPUKEDPNWFN-SJORKVTESA-N 2 1 363.506 0.697 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219922889 1224682210 /nfs/dbraw/zinc/68/22/10/1224682210.db2.gz MVIAPUKEDPNWFN-SJORKVTESA-N 2 1 363.506 0.697 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219922889 1224682211 /nfs/dbraw/zinc/68/22/11/1224682211.db2.gz MVIAPUKEDPNWFN-SJORKVTESA-N 2 1 363.506 0.697 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130305170 1201581148 /nfs/dbraw/zinc/58/11/48/1201581148.db2.gz LXCHFFBUSHYDGD-APWZRJJASA-N 2 1 368.522 0.450 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940909 1224692171 /nfs/dbraw/zinc/69/21/71/1224692171.db2.gz IDBRGILUCGKQKH-ICSRJNTNSA-N 3 1 373.545 0.765 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940909 1224692176 /nfs/dbraw/zinc/69/21/76/1224692176.db2.gz IDBRGILUCGKQKH-ICSRJNTNSA-N 2 1 373.545 0.765 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940909 1224692181 /nfs/dbraw/zinc/69/21/81/1224692181.db2.gz IDBRGILUCGKQKH-ICSRJNTNSA-N 2 1 373.545 0.765 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CC1 ZINC001220008655 1224725828 /nfs/dbraw/zinc/72/58/28/1224725828.db2.gz ABTUSDWFHGHKIZ-SQNIBIBYSA-N 2 1 358.442 0.924 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CC1 ZINC001220008654 1224725944 /nfs/dbraw/zinc/72/59/44/1224725944.db2.gz ABTUSDWFHGHKIZ-FGTMMUONSA-N 2 1 358.442 0.924 20 0 FCADMP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033791 1224733361 /nfs/dbraw/zinc/73/33/61/1224733361.db2.gz IVWKFBGNOAHGDT-YNUUFHRJSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033791 1224733365 /nfs/dbraw/zinc/73/33/65/1224733365.db2.gz IVWKFBGNOAHGDT-YNUUFHRJSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033791 1224733369 /nfs/dbraw/zinc/73/33/69/1224733369.db2.gz IVWKFBGNOAHGDT-YNUUFHRJSA-N 2 1 363.502 0.757 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556011 1202716137 /nfs/dbraw/zinc/71/61/37/1202716137.db2.gz PNZUHEBUDJASPK-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556011 1202716139 /nfs/dbraw/zinc/71/61/39/1202716139.db2.gz PNZUHEBUDJASPK-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000806813747 1202777514 /nfs/dbraw/zinc/77/75/14/1202777514.db2.gz ANQDYACOKKKXLM-RYRKJORJSA-N 2 1 368.522 0.726 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220073923 1224745945 /nfs/dbraw/zinc/74/59/45/1224745945.db2.gz NICUIBAJXPUVQW-OAHLLOKOSA-N 2 1 367.413 0.606 20 0 FCADMP COCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n2)O1 ZINC001130819708 1202809087 /nfs/dbraw/zinc/80/90/87/1202809087.db2.gz FMFORFKRCBALEY-UONOGXRCSA-N 2 1 368.482 0.217 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078003 1224747950 /nfs/dbraw/zinc/74/79/50/1224747950.db2.gz FLOVZQNJEYQOIA-SJORKVTESA-N 2 1 363.506 0.388 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031451 1202847192 /nfs/dbraw/zinc/84/71/92/1202847192.db2.gz QIHMPHLDTATJHA-HZPDHXFCSA-N 2 1 360.462 0.546 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131100897 1202862915 /nfs/dbraw/zinc/86/29/15/1202862915.db2.gz BGICMYCJYYHKMK-BRWVUGGUSA-N 2 1 365.522 0.807 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108030 1202864036 /nfs/dbraw/zinc/86/40/36/1202864036.db2.gz GSRRIRCLHMEHJO-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131316675 1202885761 /nfs/dbraw/zinc/88/57/61/1202885761.db2.gz RDKSZZAISUSBEH-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131316675 1202885763 /nfs/dbraw/zinc/88/57/63/1202885763.db2.gz RDKSZZAISUSBEH-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131318856 1202886901 /nfs/dbraw/zinc/88/69/01/1202886901.db2.gz UTCQBDHSZYYHLG-BBWFWOEESA-N 2 1 364.490 0.843 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131318856 1202886903 /nfs/dbraw/zinc/88/69/03/1202886903.db2.gz UTCQBDHSZYYHLG-BBWFWOEESA-N 2 1 364.490 0.843 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131318856 1202886904 /nfs/dbraw/zinc/88/69/04/1202886904.db2.gz UTCQBDHSZYYHLG-BBWFWOEESA-N 2 1 364.490 0.843 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313057 1202887171 /nfs/dbraw/zinc/88/71/71/1202887171.db2.gz GJDRBQXLARESBJ-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313057 1202887172 /nfs/dbraw/zinc/88/71/72/1202887172.db2.gz GJDRBQXLARESBJ-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001086665049 1202887639 /nfs/dbraw/zinc/88/76/39/1202887639.db2.gz ONNVQYSIABVKGI-LZWOXQAQSA-N 2 1 363.462 0.190 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001086665049 1202887641 /nfs/dbraw/zinc/88/76/41/1202887641.db2.gz ONNVQYSIABVKGI-LZWOXQAQSA-N 2 1 363.462 0.190 20 0 FCADMP CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001131362273 1202890609 /nfs/dbraw/zinc/89/06/09/1202890609.db2.gz STPZSOVJQOIUGU-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001131362273 1202890610 /nfs/dbraw/zinc/89/06/10/1202890610.db2.gz STPZSOVJQOIUGU-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001131362273 1202890612 /nfs/dbraw/zinc/89/06/12/1202890612.db2.gz STPZSOVJQOIUGU-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001131362273 1202890614 /nfs/dbraw/zinc/89/06/14/1202890614.db2.gz STPZSOVJQOIUGU-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000808774910 1202897938 /nfs/dbraw/zinc/89/79/38/1202897938.db2.gz FUXVMKUBNZCHFC-INIZCTEOSA-N 2 1 373.501 0.964 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131464338 1202899987 /nfs/dbraw/zinc/89/99/87/1202899987.db2.gz NCLVXPTXBZKXMA-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1)C(N)=O ZINC001131587808 1202916348 /nfs/dbraw/zinc/91/63/48/1202916348.db2.gz AXCXHDRGTVJIFD-JZXOWHBKSA-N 2 1 368.522 0.578 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1 ZINC001131597174 1202919673 /nfs/dbraw/zinc/91/96/73/1202919673.db2.gz PIOKAHDFFQCOBO-NUJGCVRESA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131607043 1202920095 /nfs/dbraw/zinc/92/00/95/1202920095.db2.gz UUZOKQVAIHSLRI-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131607043 1202920098 /nfs/dbraw/zinc/92/00/98/1202920098.db2.gz UUZOKQVAIHSLRI-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)[C@@H](c2ccccc2)C1 ZINC001134126213 1203015437 /nfs/dbraw/zinc/01/54/37/1203015437.db2.gz FKUBLICMLQPFNH-CVEARBPZSA-N 2 1 371.441 0.664 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126212 1203015761 /nfs/dbraw/zinc/01/57/61/1203015761.db2.gz FJTQVIDKILPYHU-MSOLQXFVSA-N 2 1 360.502 0.904 20 0 FCADMP CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000816522435 1203071966 /nfs/dbraw/zinc/07/19/66/1203071966.db2.gz ZBCMIQANJHJUJK-HRCADAONSA-N 2 1 366.506 0.901 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3nncn3C)C1)CC2 ZINC001086787405 1203093542 /nfs/dbraw/zinc/09/35/42/1203093542.db2.gz QHNWKAMEJQDKOU-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnnn3C)C1)CC2 ZINC001086787528 1203093814 /nfs/dbraw/zinc/09/38/14/1203093814.db2.gz VUEPXNHUQYFJTN-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817785201 1203117378 /nfs/dbraw/zinc/11/73/78/1203117378.db2.gz IITQXYTVBBRJOV-MRXNPFEDSA-N 2 1 370.457 0.745 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000820241802 1203182268 /nfs/dbraw/zinc/18/22/68/1203182268.db2.gz OKGYIBYFXVCULM-UHFFFAOYSA-N 2 1 366.506 0.159 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc(-c4cn(CCC[NH3+])nn4)n3)cn2)CC1 ZINC000822915871 1203239978 /nfs/dbraw/zinc/23/99/78/1203239978.db2.gz SPCWPFBXGNACPJ-UHFFFAOYSA-N 2 1 369.433 0.491 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2[NH2+]CCO)cc1 ZINC001090872513 1203326204 /nfs/dbraw/zinc/32/62/04/1203326204.db2.gz MFETYRFNAPTRPX-DQEVTTJGSA-N 2 1 361.486 0.912 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844186999 1203338608 /nfs/dbraw/zinc/33/86/08/1203338608.db2.gz DUYVTOBHFONKTG-SJORKVTESA-N 2 1 361.490 0.477 20 0 FCADMP CCOc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277121 1224819239 /nfs/dbraw/zinc/81/92/39/1224819239.db2.gz RGYIJNVSLWAUFY-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CCOc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277121 1224819241 /nfs/dbraw/zinc/81/92/41/1224819241.db2.gz RGYIJNVSLWAUFY-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP COc1cncc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097096 1204514378 /nfs/dbraw/zinc/51/43/78/1204514378.db2.gz KTVKDFAXTXPWHV-UWLZSVRSSA-N 2 1 363.462 0.189 20 0 FCADMP COc1cncc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097096 1204514383 /nfs/dbraw/zinc/51/43/83/1204514383.db2.gz KTVKDFAXTXPWHV-UWLZSVRSSA-N 2 1 363.462 0.189 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091194952 1204598298 /nfs/dbraw/zinc/59/82/98/1204598298.db2.gz JEMVAXKEDQCEJM-OAGGEKHMSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091194952 1204598302 /nfs/dbraw/zinc/59/83/02/1204598302.db2.gz JEMVAXKEDQCEJM-OAGGEKHMSA-N 2 1 361.490 0.888 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000846279074 1204608454 /nfs/dbraw/zinc/60/84/54/1204608454.db2.gz YBYGNUNVPLOTGU-CALCHBBNSA-N 2 1 370.538 0.648 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000846279074 1204608456 /nfs/dbraw/zinc/60/84/56/1204608456.db2.gz YBYGNUNVPLOTGU-CALCHBBNSA-N 2 1 370.538 0.648 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000846279074 1204608460 /nfs/dbraw/zinc/60/84/60/1204608460.db2.gz YBYGNUNVPLOTGU-CALCHBBNSA-N 2 1 370.538 0.648 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000846279074 1204608461 /nfs/dbraw/zinc/60/84/61/1204608461.db2.gz YBYGNUNVPLOTGU-CALCHBBNSA-N 2 1 370.538 0.648 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000846279074 1204608464 /nfs/dbraw/zinc/60/84/64/1204608464.db2.gz YBYGNUNVPLOTGU-CALCHBBNSA-N 2 1 370.538 0.648 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358667 1224842671 /nfs/dbraw/zinc/84/26/71/1224842671.db2.gz WBRSVJMGMSSQKY-QZWWFDLISA-N 2 1 360.458 0.251 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543133 1204708239 /nfs/dbraw/zinc/70/82/39/1204708239.db2.gz CVYNRRRLOSOEAO-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543133 1204708246 /nfs/dbraw/zinc/70/82/46/1204708246.db2.gz CVYNRRRLOSOEAO-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543133 1204708252 /nfs/dbraw/zinc/70/82/52/1204708252.db2.gz CVYNRRRLOSOEAO-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372599 1224846449 /nfs/dbraw/zinc/84/64/49/1224846449.db2.gz GDFBEXKKABTDAN-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372599 1224846453 /nfs/dbraw/zinc/84/64/53/1224846453.db2.gz GDFBEXKKABTDAN-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372599 1224846459 /nfs/dbraw/zinc/84/64/59/1224846459.db2.gz GDFBEXKKABTDAN-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372599 1224846461 /nfs/dbraw/zinc/84/64/61/1224846461.db2.gz GDFBEXKKABTDAN-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220373040 1224847611 /nfs/dbraw/zinc/84/76/11/1224847611.db2.gz XJTJSPNEFLSNSV-QRVBRYPASA-N 2 1 361.486 0.359 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220373040 1224847613 /nfs/dbraw/zinc/84/76/13/1224847613.db2.gz XJTJSPNEFLSNSV-QRVBRYPASA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220373040 1224847618 /nfs/dbraw/zinc/84/76/18/1224847618.db2.gz XJTJSPNEFLSNSV-QRVBRYPASA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220373040 1224847619 /nfs/dbraw/zinc/84/76/19/1224847619.db2.gz XJTJSPNEFLSNSV-QRVBRYPASA-N 2 1 361.486 0.359 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387577 1224853619 /nfs/dbraw/zinc/85/36/19/1224853619.db2.gz LYNIUWHMGGMNTC-KSZLIROESA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387577 1224853621 /nfs/dbraw/zinc/85/36/21/1224853621.db2.gz LYNIUWHMGGMNTC-KSZLIROESA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664327 1204811076 /nfs/dbraw/zinc/81/10/76/1204811076.db2.gz HNLVKAWXBOQMGD-VKJFTORMSA-N 2 1 361.494 0.363 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666605 1204812947 /nfs/dbraw/zinc/81/29/47/1204812947.db2.gz CJMLHXAPDZVTAC-AOIWGVFYSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666605 1204812949 /nfs/dbraw/zinc/81/29/49/1204812949.db2.gz CJMLHXAPDZVTAC-AOIWGVFYSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666605 1204812953 /nfs/dbraw/zinc/81/29/53/1204812953.db2.gz CJMLHXAPDZVTAC-AOIWGVFYSA-N 2 1 360.506 0.931 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091680241 1204820654 /nfs/dbraw/zinc/82/06/54/1204820654.db2.gz ZSPIITHFSPEISF-MDZRGWNJSA-N 2 1 363.506 0.874 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735257 1204836102 /nfs/dbraw/zinc/83/61/02/1204836102.db2.gz NWLNURLWMUNNSU-CLCXKQKWSA-N 2 1 362.518 0.918 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)C1 ZINC001086880182 1204855700 /nfs/dbraw/zinc/85/57/00/1204855700.db2.gz NGTKMKFQMJUUHK-CGTJXYLNSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)C1 ZINC001086880182 1204855701 /nfs/dbraw/zinc/85/57/01/1204855701.db2.gz NGTKMKFQMJUUHK-CGTJXYLNSA-N 2 1 361.490 0.880 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001087009588 1204897200 /nfs/dbraw/zinc/89/72/00/1204897200.db2.gz NZTGWKINFZBMSI-HYVNUMGLSA-N 2 1 369.473 0.246 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001087009588 1204897202 /nfs/dbraw/zinc/89/72/02/1204897202.db2.gz NZTGWKINFZBMSI-HYVNUMGLSA-N 2 1 369.473 0.246 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087035107 1204910681 /nfs/dbraw/zinc/91/06/81/1204910681.db2.gz MCBNWSIFHIBCDK-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087059748 1204944106 /nfs/dbraw/zinc/94/41/06/1204944106.db2.gz SVOQZUXEZMFIFA-HUUCEWRRSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087063274 1204950483 /nfs/dbraw/zinc/95/04/83/1204950483.db2.gz PZRATVZNWYWSJA-IXDOHACOSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087067835 1204955534 /nfs/dbraw/zinc/95/55/34/1204955534.db2.gz XOIOLOWYXZJILI-SYJBPTKTSA-N 2 1 363.502 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083403 1204970968 /nfs/dbraw/zinc/97/09/68/1204970968.db2.gz CHTFBIJBLDQMJB-BZUAXINKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087102510 1205000676 /nfs/dbraw/zinc/00/06/76/1205000676.db2.gz HFZZYCPNBRHSJH-DJIMGWMZSA-N 2 1 365.478 0.897 20 0 FCADMP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087096950 1205004907 /nfs/dbraw/zinc/00/49/07/1205004907.db2.gz MMLYBRIZKDEDEZ-HUUCEWRRSA-N 2 1 363.462 0.427 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)on1 ZINC001091780511 1205026509 /nfs/dbraw/zinc/02/65/09/1205026509.db2.gz NRIAJADJAMIDCH-LFEHRJTNSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)on1 ZINC001091780511 1205026515 /nfs/dbraw/zinc/02/65/15/1205026515.db2.gz NRIAJADJAMIDCH-LFEHRJTNSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)on1 ZINC001091780511 1205026519 /nfs/dbraw/zinc/02/65/19/1205026519.db2.gz NRIAJADJAMIDCH-LFEHRJTNSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)on1 ZINC001091780511 1205026523 /nfs/dbraw/zinc/02/65/23/1205026523.db2.gz NRIAJADJAMIDCH-LFEHRJTNSA-N 2 1 362.474 0.982 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@]3(C)C2)C1=O ZINC001091856461 1205052086 /nfs/dbraw/zinc/05/20/86/1205052086.db2.gz ROMLTTSQZYQTTQ-SYNHAJSKSA-N 2 1 367.453 0.959 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953536 1205090123 /nfs/dbraw/zinc/09/01/23/1205090123.db2.gz NFUDQAMVMFWQCO-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953536 1205090128 /nfs/dbraw/zinc/09/01/28/1205090128.db2.gz NFUDQAMVMFWQCO-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953536 1205090132 /nfs/dbraw/zinc/09/01/32/1205090132.db2.gz NFUDQAMVMFWQCO-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953536 1205090137 /nfs/dbraw/zinc/09/01/37/1205090137.db2.gz NFUDQAMVMFWQCO-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953504 1205090179 /nfs/dbraw/zinc/09/01/79/1205090179.db2.gz LQNXJGFAOLZCOY-LJCCNALRSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953504 1205090185 /nfs/dbraw/zinc/09/01/85/1205090185.db2.gz LQNXJGFAOLZCOY-LJCCNALRSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953504 1205090191 /nfs/dbraw/zinc/09/01/91/1205090191.db2.gz LQNXJGFAOLZCOY-LJCCNALRSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010795 1205112543 /nfs/dbraw/zinc/11/25/43/1205112543.db2.gz LOKMELRGZBFSQZ-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010795 1205112544 /nfs/dbraw/zinc/11/25/44/1205112544.db2.gz LOKMELRGZBFSQZ-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010795 1205112545 /nfs/dbraw/zinc/11/25/45/1205112545.db2.gz LOKMELRGZBFSQZ-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015725 1205115390 /nfs/dbraw/zinc/11/53/90/1205115390.db2.gz UJBXWUDRMCCTJM-BEFAXECRSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015725 1205115394 /nfs/dbraw/zinc/11/53/94/1205115394.db2.gz UJBXWUDRMCCTJM-BEFAXECRSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015725 1205115399 /nfs/dbraw/zinc/11/53/99/1205115399.db2.gz UJBXWUDRMCCTJM-BEFAXECRSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015725 1205115401 /nfs/dbraw/zinc/11/54/01/1205115401.db2.gz UJBXWUDRMCCTJM-BEFAXECRSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)nn1 ZINC001092071110 1205133659 /nfs/dbraw/zinc/13/36/59/1205133659.db2.gz GICBGNVYHBCNBJ-APWZRJJASA-N 2 1 360.506 0.827 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)nn1 ZINC001092071110 1205133667 /nfs/dbraw/zinc/13/36/67/1205133667.db2.gz GICBGNVYHBCNBJ-APWZRJJASA-N 2 1 360.506 0.827 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC1 ZINC001092070899 1205133725 /nfs/dbraw/zinc/13/37/25/1205133725.db2.gz BPSMCTLUVKEWBZ-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071567 1205134468 /nfs/dbraw/zinc/13/44/68/1205134468.db2.gz BBKTXZDYSWAVKQ-VPWXQRGCSA-N 2 1 364.534 0.975 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087683 1205139298 /nfs/dbraw/zinc/13/92/98/1205139298.db2.gz KCFHGIWPWFJGIY-WDYCEAGBSA-N 2 1 363.506 0.874 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273456 1205220438 /nfs/dbraw/zinc/22/04/38/1205220438.db2.gz NZFBIRKNCJUIOE-QINHECLXSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273456 1205220441 /nfs/dbraw/zinc/22/04/41/1205220441.db2.gz NZFBIRKNCJUIOE-QINHECLXSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273456 1205220444 /nfs/dbraw/zinc/22/04/44/1205220444.db2.gz NZFBIRKNCJUIOE-QINHECLXSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092278173 1205224472 /nfs/dbraw/zinc/22/44/72/1205224472.db2.gz IYORYWYDRXJLPN-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092278173 1205224477 /nfs/dbraw/zinc/22/44/77/1205224477.db2.gz IYORYWYDRXJLPN-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001092299726 1205233226 /nfs/dbraw/zinc/23/32/26/1205233226.db2.gz FVTYHLXYVKAVDU-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287336 1205253548 /nfs/dbraw/zinc/25/35/48/1205253548.db2.gz YWGWWIZMPBSHTH-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287336 1205253554 /nfs/dbraw/zinc/25/35/54/1205253554.db2.gz YWGWWIZMPBSHTH-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287336 1205253560 /nfs/dbraw/zinc/25/35/60/1205253560.db2.gz YWGWWIZMPBSHTH-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287336 1205253565 /nfs/dbraw/zinc/25/35/65/1205253565.db2.gz YWGWWIZMPBSHTH-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC3(C[NH+](CCOC)C3)n3ccnc32)CC[N@@H+]1C ZINC001092372152 1205276668 /nfs/dbraw/zinc/27/66/68/1205276668.db2.gz HODYGMHEWMUNDA-HRCADAONSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC3(C[NH+](CCOC)C3)n3ccnc32)CC[N@H+]1C ZINC001092372152 1205276674 /nfs/dbraw/zinc/27/66/74/1205276674.db2.gz HODYGMHEWMUNDA-HRCADAONSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092503984 1205296217 /nfs/dbraw/zinc/29/62/17/1205296217.db2.gz FWPZMISMSUDDND-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092503984 1205296219 /nfs/dbraw/zinc/29/62/19/1205296219.db2.gz FWPZMISMSUDDND-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092503984 1205296221 /nfs/dbraw/zinc/29/62/21/1205296221.db2.gz FWPZMISMSUDDND-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524481 1205303489 /nfs/dbraw/zinc/30/34/89/1205303489.db2.gz ZCHPSEGIIDOAPL-KBAYOESNSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524481 1205303491 /nfs/dbraw/zinc/30/34/91/1205303491.db2.gz ZCHPSEGIIDOAPL-KBAYOESNSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524481 1205303495 /nfs/dbraw/zinc/30/34/95/1205303495.db2.gz ZCHPSEGIIDOAPL-KBAYOESNSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524481 1205303498 /nfs/dbraw/zinc/30/34/98/1205303498.db2.gz ZCHPSEGIIDOAPL-KBAYOESNSA-N 2 1 363.506 0.460 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611498 1205313228 /nfs/dbraw/zinc/31/32/28/1205313228.db2.gz YITBOQQJWYSXIW-DJIMGWMZSA-N 2 1 363.506 0.038 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676741 1205336664 /nfs/dbraw/zinc/33/66/64/1205336664.db2.gz KRKHFPKETUYGBC-BZUAXINKSA-N 2 1 357.462 0.736 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676741 1205336670 /nfs/dbraw/zinc/33/66/70/1205336670.db2.gz KRKHFPKETUYGBC-BZUAXINKSA-N 2 1 357.462 0.736 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774484 1205353710 /nfs/dbraw/zinc/35/37/10/1205353710.db2.gz PBSNRLGNFNPFON-KFWWJZLASA-N 2 1 362.474 0.104 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220479010 1224886648 /nfs/dbraw/zinc/88/66/48/1224886648.db2.gz UNTAEMVPZPRDSY-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220479010 1224886654 /nfs/dbraw/zinc/88/66/54/1224886654.db2.gz UNTAEMVPZPRDSY-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C[NH2+]CCC[NH3+])cc2)CC1 ZINC001220516021 1224900309 /nfs/dbraw/zinc/90/03/09/1224900309.db2.gz OWHPRBPIIUJBEF-QQFBHYJXSA-N 3 1 361.490 0.648 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538513 1224913605 /nfs/dbraw/zinc/91/36/05/1224913605.db2.gz RHVKRMZZZDIFAR-LMFLDHGRSA-N 2 1 363.550 0.493 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092919627 1205946259 /nfs/dbraw/zinc/94/62/59/1205946259.db2.gz VJWLZBRVKIHSJR-HYVNUMGLSA-N 2 1 371.489 0.730 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092919627 1205946261 /nfs/dbraw/zinc/94/62/61/1205946261.db2.gz VJWLZBRVKIHSJR-HYVNUMGLSA-N 2 1 371.489 0.730 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084421 1206014968 /nfs/dbraw/zinc/01/49/68/1206014968.db2.gz JJFGCQCBIUYKBQ-CPUCHLNUSA-N 2 1 370.457 0.829 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084421 1206014974 /nfs/dbraw/zinc/01/49/74/1206014974.db2.gz JJFGCQCBIUYKBQ-CPUCHLNUSA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134193 1206032158 /nfs/dbraw/zinc/03/21/58/1206032158.db2.gz XPWRDZCEMDPFPR-IAGOWNOFSA-N 2 1 362.518 0.779 20 0 FCADMP Cc1ccc(CC[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220553173 1224924249 /nfs/dbraw/zinc/92/42/49/1224924249.db2.gz BHMOQGUPKNGOQT-MOPGFXCFSA-N 2 1 361.486 0.421 20 0 FCADMP Cc1ccc(CC[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220553173 1224924258 /nfs/dbraw/zinc/92/42/58/1224924258.db2.gz BHMOQGUPKNGOQT-MOPGFXCFSA-N 2 1 361.486 0.421 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195615 1206052508 /nfs/dbraw/zinc/05/25/08/1206052508.db2.gz SALNRHWRBUPFSS-QLFBSQMISA-N 2 1 360.462 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195615 1206052511 /nfs/dbraw/zinc/05/25/11/1206052511.db2.gz SALNRHWRBUPFSS-QLFBSQMISA-N 2 1 360.462 0.051 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195615 1206052514 /nfs/dbraw/zinc/05/25/14/1206052514.db2.gz SALNRHWRBUPFSS-QLFBSQMISA-N 2 1 360.462 0.051 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195615 1206052517 /nfs/dbraw/zinc/05/25/17/1206052517.db2.gz SALNRHWRBUPFSS-QLFBSQMISA-N 2 1 360.462 0.051 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208723 1206056640 /nfs/dbraw/zinc/05/66/40/1206056640.db2.gz CMXRRAQENZQTID-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208723 1206056643 /nfs/dbraw/zinc/05/66/43/1206056643.db2.gz CMXRRAQENZQTID-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208723 1206056646 /nfs/dbraw/zinc/05/66/46/1206056646.db2.gz CMXRRAQENZQTID-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208723 1206056648 /nfs/dbraw/zinc/05/66/48/1206056648.db2.gz CMXRRAQENZQTID-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3[NH+](CCO)CC34CCC4)CC2)O1 ZINC001093373516 1206077025 /nfs/dbraw/zinc/07/70/25/1206077025.db2.gz OAEMLQQEMKFDRY-NXHRZFHOSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3[NH+](CCO)CC34CCC4)CC2)O1 ZINC001093373516 1206077027 /nfs/dbraw/zinc/07/70/27/1206077027.db2.gz OAEMLQQEMKFDRY-NXHRZFHOSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3[N@H+](CCO)CC34CCC4)CC2)O1 ZINC001093373516 1206077029 /nfs/dbraw/zinc/07/70/29/1206077029.db2.gz OAEMLQQEMKFDRY-NXHRZFHOSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3[N@@H+](CCO)CC34CCC4)CC2)O1 ZINC001093373516 1206077030 /nfs/dbraw/zinc/07/70/30/1206077030.db2.gz OAEMLQQEMKFDRY-NXHRZFHOSA-N 2 1 365.518 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CCC([NH2+]CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001093399489 1206077928 /nfs/dbraw/zinc/07/79/28/1206077928.db2.gz GEEQYJPDQCCBRH-YJTLQXIOSA-N 2 1 366.506 0.332 20 0 FCADMP COC[C@@H](C)N1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545559 1206091806 /nfs/dbraw/zinc/09/18/06/1206091806.db2.gz KKWVXYOSBIFNJF-IIDMSEBBSA-N 2 1 369.506 0.432 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093820898 1206123182 /nfs/dbraw/zinc/12/31/82/1206123182.db2.gz QQVRCDMMIWFPOA-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093821553 1206123611 /nfs/dbraw/zinc/12/36/11/1206123611.db2.gz BLNKBWNGKYJRFW-FMKPAKJESA-N 2 1 357.462 0.773 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093992295 1206165204 /nfs/dbraw/zinc/16/52/04/1206165204.db2.gz NIIJYDZGMHVJEQ-BZUAXINKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093992295 1206165206 /nfs/dbraw/zinc/16/52/06/1206165206.db2.gz NIIJYDZGMHVJEQ-BZUAXINKSA-N 2 1 364.494 0.108 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)CC2 ZINC001093996946 1206166884 /nfs/dbraw/zinc/16/68/84/1206166884.db2.gz YKQDPKXKNCYBSV-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001094040979 1206174261 /nfs/dbraw/zinc/17/42/61/1206174261.db2.gz RLYNIOQMGLDVPF-OWCLPIDISA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)C1 ZINC001094042429 1206174278 /nfs/dbraw/zinc/17/42/78/1206174278.db2.gz URULYIPJFDSWEC-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)C2 ZINC001094043741 1206175148 /nfs/dbraw/zinc/17/51/48/1206175148.db2.gz WSEDSQPFOQBGRR-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001094088764 1206182338 /nfs/dbraw/zinc/18/23/38/1206182338.db2.gz MVYGQYAGTYZTLJ-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001094088764 1206182341 /nfs/dbraw/zinc/18/23/41/1206182341.db2.gz MVYGQYAGTYZTLJ-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1cnccn1 ZINC001094110634 1206185697 /nfs/dbraw/zinc/18/56/97/1206185697.db2.gz JXOPLKGLZFLXOD-BRWVUGGUSA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094219183 1206202687 /nfs/dbraw/zinc/20/26/87/1206202687.db2.gz GAHMHOAMKILRNW-MGPQQGTHSA-N 2 1 370.448 0.679 20 0 FCADMP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1=O ZINC001094220843 1206203542 /nfs/dbraw/zinc/20/35/42/1206203542.db2.gz YUUZXURJXADERB-RBSFLKMASA-N 2 1 363.458 0.784 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)C1 ZINC001094232452 1206208358 /nfs/dbraw/zinc/20/83/58/1206208358.db2.gz WFAVAKTXQHVWFY-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)C1 ZINC001094232452 1206208361 /nfs/dbraw/zinc/20/83/61/1206208361.db2.gz WFAVAKTXQHVWFY-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@@H](C)OC)C3)nn2)CC[N@@H+]1C ZINC001094293438 1206215509 /nfs/dbraw/zinc/21/55/09/1206215509.db2.gz OOHGQIRQKQSKIG-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@@H](C)OC)C3)nn2)CC[N@H+]1C ZINC001094293438 1206215513 /nfs/dbraw/zinc/21/55/13/1206215513.db2.gz OOHGQIRQKQSKIG-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP C[NH+](C)CCN1CC[N@H+]([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001171718244 1206251388 /nfs/dbraw/zinc/25/13/88/1206251388.db2.gz RUCCNKDAQKJNHC-AWEZNQCLSA-N 2 1 368.478 0.618 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039497 1206255592 /nfs/dbraw/zinc/25/55/92/1206255592.db2.gz IRJFUHPIPGOLRM-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039497 1206255597 /nfs/dbraw/zinc/25/55/97/1206255597.db2.gz IRJFUHPIPGOLRM-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039497 1206255600 /nfs/dbraw/zinc/25/56/00/1206255600.db2.gz IRJFUHPIPGOLRM-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)n1 ZINC001172142935 1206257647 /nfs/dbraw/zinc/25/76/47/1206257647.db2.gz NQHDBENOFQAAIC-FFHGMXDLSA-N 2 1 363.462 0.956 20 0 FCADMP CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)n1 ZINC001172142935 1206257650 /nfs/dbraw/zinc/25/76/50/1206257650.db2.gz NQHDBENOFQAAIC-FFHGMXDLSA-N 2 1 363.462 0.956 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172678071 1206263261 /nfs/dbraw/zinc/26/32/61/1206263261.db2.gz DFAORIUMTVDADY-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+](CC)CCN1CC[NH+]([C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173573593 1206279954 /nfs/dbraw/zinc/27/99/54/1206279954.db2.gz WFRIYIZXBBDCAT-BJWYYQGGSA-N 2 1 369.506 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001178518392 1206358429 /nfs/dbraw/zinc/35/84/29/1206358429.db2.gz OMALEWYAUPPCJZ-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001178692251 1206362510 /nfs/dbraw/zinc/36/25/10/1206362510.db2.gz LSYHTVGRDKNOAM-CQSZACIVSA-N 2 1 363.462 0.335 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001178692251 1206362513 /nfs/dbraw/zinc/36/25/13/1206362513.db2.gz LSYHTVGRDKNOAM-CQSZACIVSA-N 2 1 363.462 0.335 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCNC(C)=O)[C@@H]2C)CC[N@H+]1C ZINC001178736558 1206364060 /nfs/dbraw/zinc/36/40/60/1206364060.db2.gz WOXCPBYWHQHZAA-LEUOFYLZSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(C)(C)C)O1 ZINC001178811664 1206365757 /nfs/dbraw/zinc/36/57/57/1206365757.db2.gz XLDSGWVFIAXPIV-HZPDHXFCSA-N 2 1 370.538 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(C)(C)C)O1 ZINC001178811664 1206365759 /nfs/dbraw/zinc/36/57/59/1206365759.db2.gz XLDSGWVFIAXPIV-HZPDHXFCSA-N 2 1 370.538 0.886 20 0 FCADMP NC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC001180609375 1206396741 /nfs/dbraw/zinc/39/67/41/1206396741.db2.gz UJCVVMXONHLWSO-UHFFFAOYSA-N 2 1 373.501 0.356 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC001180760327 1206399148 /nfs/dbraw/zinc/39/91/48/1206399148.db2.gz SPDJAPCFXFALRY-KRWDZBQOSA-N 2 1 365.478 0.024 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC001180760327 1206399149 /nfs/dbraw/zinc/39/91/49/1206399149.db2.gz SPDJAPCFXFALRY-KRWDZBQOSA-N 2 1 365.478 0.024 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001181994778 1206418406 /nfs/dbraw/zinc/41/84/06/1206418406.db2.gz SLTHHMBVUJGBSC-GOSISDBHSA-N 2 1 361.490 0.818 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684986 1206442295 /nfs/dbraw/zinc/44/22/95/1206442295.db2.gz XSCVLIYFJSJHSH-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP COc1cc(C)nc(N(C(=O)[C@@H]2C[N@H+](C)CCN2C)C2CC[NH2+]CC2)n1 ZINC001185257338 1206477506 /nfs/dbraw/zinc/47/75/06/1206477506.db2.gz KCINJTMOMHSDJU-HNNXBMFYSA-N 2 1 362.478 0.124 20 0 FCADMP COc1cc(C)nc(N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)C2CC[NH2+]CC2)n1 ZINC001185257338 1206477509 /nfs/dbraw/zinc/47/75/09/1206477509.db2.gz KCINJTMOMHSDJU-HNNXBMFYSA-N 2 1 362.478 0.124 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001186039612 1206491129 /nfs/dbraw/zinc/49/11/29/1206491129.db2.gz YUJFKVWXKAUCRG-QGZVFWFLSA-N 2 1 367.490 0.319 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC2(CC[NH+](Cc3cccnc3)C2)CC1 ZINC001186039313 1206492027 /nfs/dbraw/zinc/49/20/27/1206492027.db2.gz WXTVKPSQHNXXNL-GOSISDBHSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001186039313 1206492028 /nfs/dbraw/zinc/49/20/28/1206492028.db2.gz WXTVKPSQHNXXNL-GOSISDBHSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001186039313 1206492031 /nfs/dbraw/zinc/49/20/31/1206492031.db2.gz WXTVKPSQHNXXNL-GOSISDBHSA-N 2 1 358.486 0.963 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001186115947 1206493639 /nfs/dbraw/zinc/49/36/39/1206493639.db2.gz QEOXFBBNSRVNDY-KRWDZBQOSA-N 2 1 374.485 0.550 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001186115947 1206493640 /nfs/dbraw/zinc/49/36/40/1206493640.db2.gz QEOXFBBNSRVNDY-KRWDZBQOSA-N 2 1 374.485 0.550 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220643275 1224982630 /nfs/dbraw/zinc/98/26/30/1224982630.db2.gz YDQLIGCLHCOSJP-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001187944497 1207403673 /nfs/dbraw/zinc/40/36/73/1207403673.db2.gz JPGDPTIDZPGVOR-OKZBNKHCSA-N 2 1 360.502 0.387 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001188562752 1207463187 /nfs/dbraw/zinc/46/31/87/1207463187.db2.gz RIQGTUKNBLGBIT-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001188562752 1207463188 /nfs/dbraw/zinc/46/31/88/1207463188.db2.gz RIQGTUKNBLGBIT-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188569074 1207464485 /nfs/dbraw/zinc/46/44/85/1207464485.db2.gz ZAGQRXIDGIDLST-WMLDXEAASA-N 2 1 355.442 0.959 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188569074 1207464488 /nfs/dbraw/zinc/46/44/88/1207464488.db2.gz ZAGQRXIDGIDLST-WMLDXEAASA-N 2 1 355.442 0.959 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]21 ZINC001189054304 1207498377 /nfs/dbraw/zinc/49/83/77/1207498377.db2.gz CJYYMPIXZJTPDP-UONOGXRCSA-N 2 1 367.494 0.095 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]21 ZINC001189054304 1207498382 /nfs/dbraw/zinc/49/83/82/1207498382.db2.gz CJYYMPIXZJTPDP-UONOGXRCSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470709 1207551687 /nfs/dbraw/zinc/55/16/87/1207551687.db2.gz LAJGPIDCVNVIIF-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470709 1207551693 /nfs/dbraw/zinc/55/16/93/1207551693.db2.gz LAJGPIDCVNVIIF-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543268 1207565533 /nfs/dbraw/zinc/56/55/33/1207565533.db2.gz CMBOEADRWPUMBX-BMGDILEWSA-N 2 1 371.441 0.421 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543268 1207565539 /nfs/dbraw/zinc/56/55/39/1207565539.db2.gz CMBOEADRWPUMBX-BMGDILEWSA-N 2 1 371.441 0.421 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189660117 1207584075 /nfs/dbraw/zinc/58/40/75/1207584075.db2.gz OQDQHMHZPLBCEF-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189660117 1207584077 /nfs/dbraw/zinc/58/40/77/1207584077.db2.gz OQDQHMHZPLBCEF-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189660117 1207584080 /nfs/dbraw/zinc/58/40/80/1207584080.db2.gz OQDQHMHZPLBCEF-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189660117 1207584081 /nfs/dbraw/zinc/58/40/81/1207584081.db2.gz OQDQHMHZPLBCEF-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189660114 1207584483 /nfs/dbraw/zinc/58/44/83/1207584483.db2.gz OQDQHMHZPLBCEF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189660114 1207584489 /nfs/dbraw/zinc/58/44/89/1207584489.db2.gz OQDQHMHZPLBCEF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189660114 1207584493 /nfs/dbraw/zinc/58/44/93/1207584493.db2.gz OQDQHMHZPLBCEF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189660114 1207584500 /nfs/dbraw/zinc/58/45/00/1207584500.db2.gz OQDQHMHZPLBCEF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660841 1207585848 /nfs/dbraw/zinc/58/58/48/1207585848.db2.gz YXIJPCYXBZKYBQ-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660841 1207585855 /nfs/dbraw/zinc/58/58/55/1207585855.db2.gz YXIJPCYXBZKYBQ-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189660841 1207585865 /nfs/dbraw/zinc/58/58/65/1207585865.db2.gz YXIJPCYXBZKYBQ-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660841 1207585870 /nfs/dbraw/zinc/58/58/70/1207585870.db2.gz YXIJPCYXBZKYBQ-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189801808 1207610365 /nfs/dbraw/zinc/61/03/65/1207610365.db2.gz NYIVXTVTBFFKNN-DOTOQJQBSA-N 2 1 360.502 0.626 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189801808 1207610371 /nfs/dbraw/zinc/61/03/71/1207610371.db2.gz NYIVXTVTBFFKNN-DOTOQJQBSA-N 2 1 360.502 0.626 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220683471 1225010471 /nfs/dbraw/zinc/01/04/71/1225010471.db2.gz UCXDVVUYCOZCEE-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220683471 1225010481 /nfs/dbraw/zinc/01/04/81/1225010481.db2.gz UCXDVVUYCOZCEE-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220683471 1225010486 /nfs/dbraw/zinc/01/04/86/1225010486.db2.gz UCXDVVUYCOZCEE-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220683471 1225010498 /nfs/dbraw/zinc/01/04/98/1225010498.db2.gz UCXDVVUYCOZCEE-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246367 1207667730 /nfs/dbraw/zinc/66/77/30/1207667730.db2.gz BGBZHGDEMBNVOD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246367 1207667722 /nfs/dbraw/zinc/66/77/22/1207667722.db2.gz BGBZHGDEMBNVOD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246367 1207667725 /nfs/dbraw/zinc/66/77/25/1207667725.db2.gz BGBZHGDEMBNVOD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246367 1207667734 /nfs/dbraw/zinc/66/77/34/1207667734.db2.gz BGBZHGDEMBNVOD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246367 1207667738 /nfs/dbraw/zinc/66/77/38/1207667738.db2.gz BGBZHGDEMBNVOD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263608 1207670191 /nfs/dbraw/zinc/67/01/91/1207670191.db2.gz WIQHEOYOPZJOMQ-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263608 1207670194 /nfs/dbraw/zinc/67/01/94/1207670194.db2.gz WIQHEOYOPZJOMQ-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220683464 1225011811 /nfs/dbraw/zinc/01/18/11/1225011811.db2.gz TUFJZNCASXAFDO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220683464 1225011820 /nfs/dbraw/zinc/01/18/20/1225011820.db2.gz TUFJZNCASXAFDO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220683464 1225011830 /nfs/dbraw/zinc/01/18/30/1225011830.db2.gz TUFJZNCASXAFDO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220683464 1225011839 /nfs/dbraw/zinc/01/18/39/1225011839.db2.gz TUFJZNCASXAFDO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690772 /nfs/dbraw/zinc/69/07/72/1207690772.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 1 358.486 0.915 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690775 /nfs/dbraw/zinc/69/07/75/1207690775.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 1 358.486 0.915 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689749 1225018018 /nfs/dbraw/zinc/01/80/18/1225018018.db2.gz OTZVLDLIAXLWCC-ZACQAIPSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689749 1225018025 /nfs/dbraw/zinc/01/80/25/1225018025.db2.gz OTZVLDLIAXLWCC-ZACQAIPSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689749 1225018031 /nfs/dbraw/zinc/01/80/31/1225018031.db2.gz OTZVLDLIAXLWCC-ZACQAIPSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689749 1225018036 /nfs/dbraw/zinc/01/80/36/1225018036.db2.gz OTZVLDLIAXLWCC-ZACQAIPSSA-N 2 1 370.538 0.523 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068406 1207856711 /nfs/dbraw/zinc/85/67/11/1207856711.db2.gz SBPFOAYGCDCHNB-IAGOWNOFSA-N 2 1 367.494 0.036 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068406 1207856713 /nfs/dbraw/zinc/85/67/13/1207856713.db2.gz SBPFOAYGCDCHNB-IAGOWNOFSA-N 2 1 367.494 0.036 20 0 FCADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068424 1207856755 /nfs/dbraw/zinc/85/67/55/1207856755.db2.gz SMZPKQAHSNFCRV-KBAYOESNSA-N 2 1 365.522 0.902 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791072 1207889246 /nfs/dbraw/zinc/88/92/46/1207889246.db2.gz DOHFMMJYGOJVGI-GUDVDZBRSA-N 2 1 361.486 0.957 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791072 1207889249 /nfs/dbraw/zinc/88/92/49/1207889249.db2.gz DOHFMMJYGOJVGI-GUDVDZBRSA-N 2 1 361.486 0.957 20 0 FCADMP CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001193754822 1207889730 /nfs/dbraw/zinc/88/97/30/1207889730.db2.gz BVQWOTQCJZYODD-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O ZINC001193754822 1207889731 /nfs/dbraw/zinc/88/97/31/1207889731.db2.gz BVQWOTQCJZYODD-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001193754822 1207889733 /nfs/dbraw/zinc/88/97/33/1207889733.db2.gz BVQWOTQCJZYODD-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CCC1 ZINC001193747090 1207889752 /nfs/dbraw/zinc/88/97/52/1207889752.db2.gz WAJDOOCVCPYXHR-QZTJIDSGSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CCC1 ZINC001193747090 1207889753 /nfs/dbraw/zinc/88/97/53/1207889753.db2.gz WAJDOOCVCPYXHR-QZTJIDSGSA-N 2 1 359.470 0.862 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821839 1207892678 /nfs/dbraw/zinc/89/26/78/1207892678.db2.gz SWZVRWTYBCZCIK-IPMKNSEASA-N 2 1 361.486 0.236 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821839 1207892679 /nfs/dbraw/zinc/89/26/79/1207892679.db2.gz SWZVRWTYBCZCIK-IPMKNSEASA-N 2 1 361.486 0.236 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821839 1207892681 /nfs/dbraw/zinc/89/26/81/1207892681.db2.gz SWZVRWTYBCZCIK-IPMKNSEASA-N 2 1 361.486 0.236 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001273666115 1207894054 /nfs/dbraw/zinc/89/40/54/1207894054.db2.gz GTFFVTNKTKFMGG-INIZCTEOSA-N 2 1 366.506 0.251 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001194119561 1207916894 /nfs/dbraw/zinc/91/68/94/1207916894.db2.gz YCUSTWPHDOOANR-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001194119561 1207916897 /nfs/dbraw/zinc/91/68/97/1207916897.db2.gz YCUSTWPHDOOANR-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001194119561 1207916903 /nfs/dbraw/zinc/91/69/03/1207916903.db2.gz YCUSTWPHDOOANR-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001194119561 1207916907 /nfs/dbraw/zinc/91/69/07/1207916907.db2.gz YCUSTWPHDOOANR-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289277 1207934178 /nfs/dbraw/zinc/93/41/78/1207934178.db2.gz HAWDEUVXWYJERL-KZNAEPCWSA-N 2 1 362.474 0.638 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291281 1207935056 /nfs/dbraw/zinc/93/50/56/1207935056.db2.gz NDDUBGUJHPQYCT-RDJZCZTQSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291281 1207935060 /nfs/dbraw/zinc/93/50/60/1207935060.db2.gz NDDUBGUJHPQYCT-RDJZCZTQSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291282 1207935373 /nfs/dbraw/zinc/93/53/73/1207935373.db2.gz NDDUBGUJHPQYCT-WBVHZDCISA-N 2 1 374.485 0.078 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291282 1207935376 /nfs/dbraw/zinc/93/53/76/1207935376.db2.gz NDDUBGUJHPQYCT-WBVHZDCISA-N 2 1 374.485 0.078 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001195981033 1208049088 /nfs/dbraw/zinc/04/90/88/1208049088.db2.gz LTFULRJQNIVGCT-BRWVUGGUSA-N 2 1 366.510 0.196 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184880 1208064716 /nfs/dbraw/zinc/06/47/16/1208064716.db2.gz JKOBSPGVRGRXRX-ATZDWAIDSA-N 2 1 363.502 0.727 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251323 1208069081 /nfs/dbraw/zinc/06/90/81/1208069081.db2.gz IFOSGZRPOPQXJH-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251323 1208069083 /nfs/dbraw/zinc/06/90/83/1208069083.db2.gz IFOSGZRPOPQXJH-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC001196789762 1208106342 /nfs/dbraw/zinc/10/63/42/1208106342.db2.gz NILXCULTLWKFLT-CVEARBPZSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001196789762 1208106345 /nfs/dbraw/zinc/10/63/45/1208106345.db2.gz NILXCULTLWKFLT-CVEARBPZSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001196789762 1208106349 /nfs/dbraw/zinc/10/63/49/1208106349.db2.gz NILXCULTLWKFLT-CVEARBPZSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001196789762 1208106353 /nfs/dbraw/zinc/10/63/53/1208106353.db2.gz NILXCULTLWKFLT-CVEARBPZSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001196789762 1208106357 /nfs/dbraw/zinc/10/63/57/1208106357.db2.gz NILXCULTLWKFLT-CVEARBPZSA-N 2 1 374.485 0.976 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197018484 1208132044 /nfs/dbraw/zinc/13/20/44/1208132044.db2.gz VCIZYOKNJZQYBU-KZNAEPCWSA-N 2 1 365.522 0.490 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319373 1208152243 /nfs/dbraw/zinc/15/22/43/1208152243.db2.gz BVNWRUBBRZWCOF-CGTJXYLNSA-N 2 1 369.506 0.218 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001197294502 1208154098 /nfs/dbraw/zinc/15/40/98/1208154098.db2.gz AAMLFWJCXXBDAA-PVAVHDDUSA-N 2 1 369.473 0.768 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001197492895 1208166232 /nfs/dbraw/zinc/16/62/32/1208166232.db2.gz AQQKVRAPVYNOBA-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001197492895 1208166234 /nfs/dbraw/zinc/16/62/34/1208166234.db2.gz AQQKVRAPVYNOBA-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001197492895 1208166236 /nfs/dbraw/zinc/16/62/36/1208166236.db2.gz AQQKVRAPVYNOBA-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001197492895 1208166238 /nfs/dbraw/zinc/16/62/38/1208166238.db2.gz AQQKVRAPVYNOBA-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755290 1225056737 /nfs/dbraw/zinc/05/67/37/1225056737.db2.gz KIWRXTLAKCUVLL-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755290 1225056744 /nfs/dbraw/zinc/05/67/44/1225056744.db2.gz KIWRXTLAKCUVLL-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755290 1225056754 /nfs/dbraw/zinc/05/67/54/1225056754.db2.gz KIWRXTLAKCUVLL-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001199119568 1208319243 /nfs/dbraw/zinc/31/92/43/1208319243.db2.gz KGRXEYIQYQMGNY-QZTJIDSGSA-N 2 1 362.474 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001199119568 1208319244 /nfs/dbraw/zinc/31/92/44/1208319244.db2.gz KGRXEYIQYQMGNY-QZTJIDSGSA-N 2 1 362.474 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199119568 1208319245 /nfs/dbraw/zinc/31/92/45/1208319245.db2.gz KGRXEYIQYQMGNY-QZTJIDSGSA-N 2 1 362.474 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199119568 1208319246 /nfs/dbraw/zinc/31/92/46/1208319246.db2.gz KGRXEYIQYQMGNY-QZTJIDSGSA-N 2 1 362.474 0.647 20 0 FCADMP C[C@H](NC(=O)C(F)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000867306499 1208329254 /nfs/dbraw/zinc/32/92/54/1208329254.db2.gz MPIAKMFRCYPBBT-KBPBESRZSA-N 2 1 366.481 0.858 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220770944 1225064420 /nfs/dbraw/zinc/06/44/20/1225064420.db2.gz BFJNYYBVWHANCL-MSOLQXFVSA-N 2 1 359.470 0.713 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001488980928 1208596809 /nfs/dbraw/zinc/59/68/09/1208596809.db2.gz LZULCZUWYMGUIE-DLBZAZTESA-N 2 1 360.462 0.834 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220817002 1225086011 /nfs/dbraw/zinc/08/60/11/1225086011.db2.gz KTGQHUCFYVYFBV-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220817002 1225086015 /nfs/dbraw/zinc/08/60/15/1225086015.db2.gz KTGQHUCFYVYFBV-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220817002 1225086019 /nfs/dbraw/zinc/08/60/19/1225086019.db2.gz KTGQHUCFYVYFBV-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220817002 1225086004 /nfs/dbraw/zinc/08/60/04/1225086004.db2.gz KTGQHUCFYVYFBV-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220828569 1225092085 /nfs/dbraw/zinc/09/20/85/1225092085.db2.gz ALKCUXCWYLKWSO-CABCVRRESA-N 2 1 363.462 0.063 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882286 1225122535 /nfs/dbraw/zinc/12/25/35/1225122535.db2.gz USSCGZPXEXDOBN-ZACQAIPSSA-N 2 1 357.454 0.633 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882286 1225122540 /nfs/dbraw/zinc/12/25/40/1225122540.db2.gz USSCGZPXEXDOBN-ZACQAIPSSA-N 2 1 357.454 0.633 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cn21 ZINC001220896352 1225128278 /nfs/dbraw/zinc/12/82/78/1225128278.db2.gz JZKQVRWWMUYNND-HUUCEWRRSA-N 2 1 357.462 0.129 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cn21 ZINC001220896352 1225128279 /nfs/dbraw/zinc/12/82/79/1225128279.db2.gz JZKQVRWWMUYNND-HUUCEWRRSA-N 2 1 357.462 0.129 20 0 FCADMP O=C1OCCN1[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437188 1209549383 /nfs/dbraw/zinc/54/93/83/1209549383.db2.gz VEWMFMQSJAEIOP-IYBDPMFKSA-N 2 1 366.462 0.820 20 0 FCADMP O=C1OCCN1[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437188 1209549386 /nfs/dbraw/zinc/54/93/86/1209549386.db2.gz VEWMFMQSJAEIOP-IYBDPMFKSA-N 2 1 366.462 0.820 20 0 FCADMP O=C1OCCN1[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437188 1209549389 /nfs/dbraw/zinc/54/93/89/1209549389.db2.gz VEWMFMQSJAEIOP-IYBDPMFKSA-N 2 1 366.462 0.820 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928439 1225145320 /nfs/dbraw/zinc/14/53/20/1225145320.db2.gz QBRINPUXNJNLAI-UHFFFAOYSA-N 2 1 359.474 0.392 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001110668007 1209592475 /nfs/dbraw/zinc/59/24/75/1209592475.db2.gz SGEUPWWOVYMUDC-ZXFNITATSA-N 2 1 362.474 0.197 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001110668007 1209592481 /nfs/dbraw/zinc/59/24/81/1209592481.db2.gz SGEUPWWOVYMUDC-ZXFNITATSA-N 2 1 362.474 0.197 20 0 FCADMP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935914 1225148857 /nfs/dbraw/zinc/14/88/57/1225148857.db2.gz ANKVPYZTUQOQQB-ZWKOTPCHSA-N 3 1 358.486 0.203 20 0 FCADMP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935914 1225148861 /nfs/dbraw/zinc/14/88/61/1225148861.db2.gz ANKVPYZTUQOQQB-ZWKOTPCHSA-N 3 1 358.486 0.203 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc(-c4cn(CC[NH3+])nn4)n3)cn2)CC1 ZINC000854144238 1209617083 /nfs/dbraw/zinc/61/70/83/1209617083.db2.gz ZUJQVKMHQLAPCW-UHFFFAOYSA-N 2 1 355.406 0.101 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747462 1209792434 /nfs/dbraw/zinc/79/24/34/1209792434.db2.gz ROMBEYUGAMYEOV-SVGFKBNWSA-N 2 1 359.474 0.764 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747462 1209792440 /nfs/dbraw/zinc/79/24/40/1209792440.db2.gz ROMBEYUGAMYEOV-SVGFKBNWSA-N 2 1 359.474 0.764 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000861769539 1209881355 /nfs/dbraw/zinc/88/13/55/1209881355.db2.gz MJZCWWLIPKFBDB-GFCCVEGCSA-N 2 1 368.428 0.851 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H](F)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000864962363 1209968773 /nfs/dbraw/zinc/96/87/73/1209968773.db2.gz LDNHIDPRDWZKOG-HALDLXJZSA-N 2 1 366.481 0.526 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@H](F)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864962363 1209968776 /nfs/dbraw/zinc/96/87/76/1209968776.db2.gz LDNHIDPRDWZKOG-HALDLXJZSA-N 2 1 366.481 0.526 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@H](F)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864962363 1209968778 /nfs/dbraw/zinc/96/87/78/1209968778.db2.gz LDNHIDPRDWZKOG-HALDLXJZSA-N 2 1 366.481 0.526 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000866540861 1209998351 /nfs/dbraw/zinc/99/83/51/1209998351.db2.gz SFVQLDGNDKEIFD-AIDNBVJZSA-N 2 1 366.481 0.522 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000866540861 1209998355 /nfs/dbraw/zinc/99/83/55/1209998355.db2.gz SFVQLDGNDKEIFD-AIDNBVJZSA-N 2 1 366.481 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000866540861 1209998359 /nfs/dbraw/zinc/99/83/59/1209998359.db2.gz SFVQLDGNDKEIFD-AIDNBVJZSA-N 2 1 366.481 0.522 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982587 1225173763 /nfs/dbraw/zinc/17/37/63/1225173763.db2.gz IEPJHQFITWHWKP-QGZVFWFLSA-N 2 1 363.481 0.353 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215004 1210044300 /nfs/dbraw/zinc/04/43/00/1210044300.db2.gz AFENMDJMTUBRTB-QZTJIDSGSA-N 2 1 365.522 0.271 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994110 1225179085 /nfs/dbraw/zinc/17/90/85/1225179085.db2.gz BYPVHZSFVOXIGP-ZACQAIPSSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994110 1225179091 /nfs/dbraw/zinc/17/90/91/1225179091.db2.gz BYPVHZSFVOXIGP-ZACQAIPSSA-N 2 1 368.522 0.458 20 0 FCADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000876751363 1210427128 /nfs/dbraw/zinc/42/71/28/1210427128.db2.gz XIUJTPCKHZIHEX-VOWLNPDQSA-N 2 1 370.497 0.859 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000876781530 1210430024 /nfs/dbraw/zinc/43/00/24/1210430024.db2.gz HWEXULWWCDBGRZ-RDJZCZTQSA-N 2 1 362.522 0.729 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089843 1225216237 /nfs/dbraw/zinc/21/62/37/1225216237.db2.gz RCHHXZVZSYOVOB-QRVBRYPASA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@H](Cc1ccccc1)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089843 1225216241 /nfs/dbraw/zinc/21/62/41/1225216241.db2.gz RCHHXZVZSYOVOB-QRVBRYPASA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@H](Cc1ccccc1)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089843 1225216248 /nfs/dbraw/zinc/21/62/48/1225216248.db2.gz RCHHXZVZSYOVOB-QRVBRYPASA-N 2 1 363.502 0.746 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001221093620 1225219314 /nfs/dbraw/zinc/21/93/14/1225219314.db2.gz RTDMYLNALQVPIV-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001221093620 1225219316 /nfs/dbraw/zinc/21/93/16/1225219316.db2.gz RTDMYLNALQVPIV-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001221093620 1225219325 /nfs/dbraw/zinc/21/93/25/1225219325.db2.gz RTDMYLNALQVPIV-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001221093620 1225219330 /nfs/dbraw/zinc/21/93/30/1225219330.db2.gz RTDMYLNALQVPIV-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)CC1 ZINC000879992886 1210509719 /nfs/dbraw/zinc/50/97/19/1210509719.db2.gz MUETXQWZQKJUGW-GOSISDBHSA-N 3 1 366.550 0.756 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096387 1225221355 /nfs/dbraw/zinc/22/13/55/1225221355.db2.gz RKJYSENOYPVZJE-SQNIBIBYSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096387 1225221362 /nfs/dbraw/zinc/22/13/62/1225221362.db2.gz RKJYSENOYPVZJE-SQNIBIBYSA-N 2 1 371.522 0.321 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)CC[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311332 1210527841 /nfs/dbraw/zinc/52/78/41/1210527841.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 2 1 362.518 0.585 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](CC[C@H](C)[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311332 1210527845 /nfs/dbraw/zinc/52/78/45/1210527845.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 2 1 362.518 0.585 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](CC[C@H](C)[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311332 1210527854 /nfs/dbraw/zinc/52/78/54/1210527854.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 2 1 362.518 0.585 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2CC)ccn1 ZINC000882487264 1210622427 /nfs/dbraw/zinc/62/24/27/1210622427.db2.gz UFOIIZZFMQCELV-CVEARBPZSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccnc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882487264 1210622445 /nfs/dbraw/zinc/62/24/45/1210622445.db2.gz UFOIIZZFMQCELV-CVEARBPZSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccnc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000882487264 1210622458 /nfs/dbraw/zinc/62/24/58/1210622458.db2.gz UFOIIZZFMQCELV-CVEARBPZSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882482712 1210622610 /nfs/dbraw/zinc/62/26/10/1210622610.db2.gz MYTRKFVRRDLZQT-HUUCEWRRSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604025 1210673175 /nfs/dbraw/zinc/67/31/75/1210673175.db2.gz KQUZGIGSWLTWFO-SJLPKXTDSA-N 2 1 371.485 0.730 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883604904 1210673464 /nfs/dbraw/zinc/67/34/64/1210673464.db2.gz HHUCTWLGWKAENX-QAPCUYQASA-N 2 1 371.485 0.730 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC([NH3+])C1 ZINC000883609019 1210674278 /nfs/dbraw/zinc/67/42/78/1210674278.db2.gz MISZEPPDWBDRQP-GMXGEUMGSA-N 2 1 371.485 0.858 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611949 1210675036 /nfs/dbraw/zinc/67/50/36/1210675036.db2.gz OKYQNMKGJXHKSB-QGZVFWFLSA-N 2 1 359.474 0.717 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883612109 1210675278 /nfs/dbraw/zinc/67/52/78/1210675278.db2.gz SLXCODKXKDWHFD-SZMVWBNQSA-N 2 1 369.469 0.482 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000883655821 1210680987 /nfs/dbraw/zinc/68/09/87/1210680987.db2.gz MYSKYBAWBGHKIX-GOSISDBHSA-N 2 1 374.485 0.721 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000883655821 1210680990 /nfs/dbraw/zinc/68/09/90/1210680990.db2.gz MYSKYBAWBGHKIX-GOSISDBHSA-N 2 1 374.485 0.721 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000889333033 1210703432 /nfs/dbraw/zinc/70/34/32/1210703432.db2.gz RGJCLSHIOCRVLM-JKSUJKDBSA-N 3 1 370.542 0.020 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000889333033 1210703433 /nfs/dbraw/zinc/70/34/33/1210703433.db2.gz RGJCLSHIOCRVLM-JKSUJKDBSA-N 3 1 370.542 0.020 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884220115 1210724330 /nfs/dbraw/zinc/72/43/30/1210724330.db2.gz GUJXZYVKOGKIMN-QZTJIDSGSA-N 2 1 373.501 0.864 20 0 FCADMP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)CN1CC[NH+](C)CC1 ZINC000884235464 1210725643 /nfs/dbraw/zinc/72/56/43/1210725643.db2.gz VVSHKGMUDNTBDH-INIZCTEOSA-N 2 1 360.506 0.105 20 0 FCADMP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252655 1210726343 /nfs/dbraw/zinc/72/63/43/1210726343.db2.gz PLPBUQOIXPBKDN-DOTOQJQBSA-N 2 1 369.469 0.461 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494200 1210739201 /nfs/dbraw/zinc/73/92/01/1210739201.db2.gz MZMOBISWRRHASN-HUUCEWRRSA-N 2 1 374.476 0.832 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884508441 1210740918 /nfs/dbraw/zinc/74/09/18/1210740918.db2.gz FLVQAZUBVWNYSE-KRWDZBQOSA-N 2 1 355.442 0.529 20 0 FCADMP CCN(C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884513628 1210742178 /nfs/dbraw/zinc/74/21/78/1210742178.db2.gz NFWXZUDNTDTIES-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC000884544385 1210746978 /nfs/dbraw/zinc/74/69/78/1210746978.db2.gz FNEZVXPFGQAKNW-LPHOPBHVSA-N 2 1 366.506 0.063 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000884545085 1210747109 /nfs/dbraw/zinc/74/71/09/1210747109.db2.gz YDDDDEWLPKAGJQ-DNVCBOLYSA-N 2 1 368.522 0.294 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000884553611 1210748708 /nfs/dbraw/zinc/74/87/08/1210748708.db2.gz CQIBPKSHKGAIFW-OIISXLGYSA-N 2 1 358.486 0.804 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884586057 1210757161 /nfs/dbraw/zinc/75/71/61/1210757161.db2.gz BJBWPTVGNLBKIN-ZACQAIPSSA-N 2 1 373.501 0.261 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884586054 1210757226 /nfs/dbraw/zinc/75/72/26/1210757226.db2.gz BJBWPTVGNLBKIN-BRWVUGGUSA-N 2 1 373.501 0.261 20 0 FCADMP C[C@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884592449 1210758150 /nfs/dbraw/zinc/75/81/50/1210758150.db2.gz OCOXBGVLUHSGHL-NQYYFHDYSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884589157 1210758422 /nfs/dbraw/zinc/75/84/22/1210758422.db2.gz UYZGPKCKXRNFCL-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884589157 1210758426 /nfs/dbraw/zinc/75/84/26/1210758426.db2.gz UYZGPKCKXRNFCL-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000884599727 1210759075 /nfs/dbraw/zinc/75/90/75/1210759075.db2.gz JLNBGIFNJRKEMX-ZACQAIPSSA-N 2 1 373.501 0.261 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884601574 1210759810 /nfs/dbraw/zinc/75/98/10/1210759810.db2.gz PQKJMVMSVLNVEW-OTWHNJEPSA-N 2 1 370.497 0.978 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884603115 1210759829 /nfs/dbraw/zinc/75/98/29/1210759829.db2.gz BYOSYGBJNJGIHX-BEFAXECRSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604595 1210761177 /nfs/dbraw/zinc/76/11/77/1210761177.db2.gz LOSQIVIINBXSEC-QUJKESNLSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000884623502 1210764659 /nfs/dbraw/zinc/76/46/59/1210764659.db2.gz FVNWWKPCRSIRII-GDBMZVCRSA-N 2 1 364.490 0.028 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000884623503 1210765017 /nfs/dbraw/zinc/76/50/17/1210765017.db2.gz FVNWWKPCRSIRII-GOEBONIOSA-N 2 1 364.490 0.028 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626710 1210765996 /nfs/dbraw/zinc/76/59/96/1210765996.db2.gz SBVMXLLGKGFPSR-XHSDSOJGSA-N 2 1 364.490 0.004 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627631 1210766502 /nfs/dbraw/zinc/76/65/02/1210766502.db2.gz WSENSWGJCJELCI-DLBZAZTESA-N 2 1 358.486 0.663 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000884646440 1210772420 /nfs/dbraw/zinc/77/24/20/1210772420.db2.gz SLOVIDYFRDZALE-JOCBIADPSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C2 ZINC000884669211 1210774988 /nfs/dbraw/zinc/77/49/88/1210774988.db2.gz PMQDTVIJIXICRO-RZQQEMMASA-N 2 1 374.485 0.991 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669793 1210775504 /nfs/dbraw/zinc/77/55/04/1210775504.db2.gz HAPREJGXKATXAT-JYJNAYRXSA-N 2 1 364.490 0.004 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675877 1210777504 /nfs/dbraw/zinc/77/75/04/1210777504.db2.gz TZFMYQNKYXNNKW-NVXWUHKLSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680845 1210779786 /nfs/dbraw/zinc/77/97/86/1210779786.db2.gz COQKBBVXRJPABI-MSOLQXFVSA-N 2 1 358.486 0.801 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000884688436 1210781044 /nfs/dbraw/zinc/78/10/44/1210781044.db2.gz CIZSJCUDTYZDNT-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000884688436 1210781047 /nfs/dbraw/zinc/78/10/47/1210781047.db2.gz CIZSJCUDTYZDNT-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884692751 1210781953 /nfs/dbraw/zinc/78/19/53/1210781953.db2.gz VEAIUTYOFXODOP-JQHSSLGASA-N 2 1 358.486 0.739 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884704946 1210783950 /nfs/dbraw/zinc/78/39/50/1210783950.db2.gz ZOIIWWSYIKPGQU-BPQIPLTHSA-N 2 1 358.486 0.820 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000884703980 1210784122 /nfs/dbraw/zinc/78/41/22/1210784122.db2.gz QYLLVNMVLQZRFK-NVXWUHKLSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000884703980 1210784132 /nfs/dbraw/zinc/78/41/32/1210784132.db2.gz QYLLVNMVLQZRFK-NVXWUHKLSA-N 2 1 362.474 0.166 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)C1 ZINC000884787524 1210795698 /nfs/dbraw/zinc/79/56/98/1210795698.db2.gz VBAIQTKUPIGIOC-FUHWJXTLSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)C1 ZINC000884787524 1210795701 /nfs/dbraw/zinc/79/57/01/1210795701.db2.gz VBAIQTKUPIGIOC-FUHWJXTLSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)C1 ZINC000884787526 1210796183 /nfs/dbraw/zinc/79/61/83/1210796183.db2.gz VBAIQTKUPIGIOC-WMZOPIPTSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)C1 ZINC000884787526 1210796189 /nfs/dbraw/zinc/79/61/89/1210796189.db2.gz VBAIQTKUPIGIOC-WMZOPIPTSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835239 1210800397 /nfs/dbraw/zinc/80/03/97/1210800397.db2.gz NMLKMHKNAXDGND-BQFCYCMXSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884833848 1210800491 /nfs/dbraw/zinc/80/04/91/1210800491.db2.gz PWHAAEHESGTPMZ-FZCLSBEQSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833222 1210800503 /nfs/dbraw/zinc/80/05/03/1210800503.db2.gz IOARDAXRRKRMJV-DKIMLUQUSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000884881901 1210802485 /nfs/dbraw/zinc/80/24/85/1210802485.db2.gz MAENFBUOIGESBW-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000884881901 1210802486 /nfs/dbraw/zinc/80/24/86/1210802486.db2.gz MAENFBUOIGESBW-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000884881904 1210802572 /nfs/dbraw/zinc/80/25/72/1210802572.db2.gz MAENFBUOIGESBW-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000884881904 1210802574 /nfs/dbraw/zinc/80/25/74/1210802574.db2.gz MAENFBUOIGESBW-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884885646 1210802805 /nfs/dbraw/zinc/80/28/05/1210802805.db2.gz AVXNQNZCLIHYMC-SJLPKXTDSA-N 2 1 358.486 0.758 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000884891830 1210803329 /nfs/dbraw/zinc/80/33/29/1210803329.db2.gz OJJLOHDNZXTVCQ-QGZVFWFLSA-N 2 1 358.486 0.759 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884973992 1210806188 /nfs/dbraw/zinc/80/61/88/1210806188.db2.gz KGPDQUZDIKJYEZ-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884983434 1210806865 /nfs/dbraw/zinc/80/68/65/1210806865.db2.gz RCXJSTDIBYQXCG-ROUUACIJSA-N 2 1 358.486 0.896 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983550 1210806941 /nfs/dbraw/zinc/80/69/41/1210806941.db2.gz LRGSHBWWWJYYFR-QZTJIDSGSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983550 1210806943 /nfs/dbraw/zinc/80/69/43/1210806943.db2.gz LRGSHBWWWJYYFR-QZTJIDSGSA-N 2 1 374.485 0.132 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884983357 1210807129 /nfs/dbraw/zinc/80/71/29/1210807129.db2.gz JBAJPOFLGVQQMV-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884983357 1210807132 /nfs/dbraw/zinc/80/71/32/1210807132.db2.gz JBAJPOFLGVQQMV-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884983376 1210807163 /nfs/dbraw/zinc/80/71/63/1210807163.db2.gz QFIASIRLMHZYLM-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885007559 1210807749 /nfs/dbraw/zinc/80/77/49/1210807749.db2.gz CHILJFMOBDXIAT-FJIDUMEYSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141319 1210812213 /nfs/dbraw/zinc/81/22/13/1210812213.db2.gz LWYXMRHCZNGGRN-CVEARBPZSA-N 2 1 366.506 0.062 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141612 1210812339 /nfs/dbraw/zinc/81/23/39/1210812339.db2.gz OQMNCRBLUXVAPX-MRXNPFEDSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885161611 1210813857 /nfs/dbraw/zinc/81/38/57/1210813857.db2.gz HCUXHNAUGGBXSV-SFHVURJKSA-N 2 1 369.469 0.871 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000887063258 1210844436 /nfs/dbraw/zinc/84/44/36/1210844436.db2.gz WLTSFNCQKZMTEF-OTWHNJEPSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131475 1210848901 /nfs/dbraw/zinc/84/89/01/1210848901.db2.gz YJOBTBOMJBRZGJ-HUUCEWRRSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131475 1210848903 /nfs/dbraw/zinc/84/89/03/1210848903.db2.gz YJOBTBOMJBRZGJ-HUUCEWRRSA-N 2 1 359.474 0.705 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162975 1225248279 /nfs/dbraw/zinc/24/82/79/1225248279.db2.gz OXMDLGUHZMAVAF-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162975 1225248286 /nfs/dbraw/zinc/24/82/86/1225248286.db2.gz OXMDLGUHZMAVAF-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162975 1225248290 /nfs/dbraw/zinc/24/82/90/1225248290.db2.gz OXMDLGUHZMAVAF-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162975 1225248293 /nfs/dbraw/zinc/24/82/93/1225248293.db2.gz OXMDLGUHZMAVAF-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP O=C(N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771190 1210950088 /nfs/dbraw/zinc/95/00/88/1210950088.db2.gz XYMWPIPASYHIJD-DYXWJJEUSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771190 1210950091 /nfs/dbraw/zinc/95/00/91/1210950091.db2.gz XYMWPIPASYHIJD-DYXWJJEUSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771190 1210950093 /nfs/dbraw/zinc/95/00/93/1210950093.db2.gz XYMWPIPASYHIJD-DYXWJJEUSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771195 1210950421 /nfs/dbraw/zinc/95/04/21/1210950421.db2.gz XYMWPIPASYHIJD-SVFBPWRDSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771195 1210950426 /nfs/dbraw/zinc/95/04/26/1210950426.db2.gz XYMWPIPASYHIJD-SVFBPWRDSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771195 1210950428 /nfs/dbraw/zinc/95/04/28/1210950428.db2.gz XYMWPIPASYHIJD-SVFBPWRDSA-N 2 1 373.497 0.681 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890139618 1210968920 /nfs/dbraw/zinc/96/89/20/1210968920.db2.gz WSPIHJOLNBIVSJ-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000174716329 1210984985 /nfs/dbraw/zinc/98/49/85/1210984985.db2.gz BIBGQULTZMJQIN-MRXNPFEDSA-N 2 1 370.457 0.602 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CCC[NH+]4CCCCC4)CC3)[C@@H]2C1 ZINC001274404700 1211046228 /nfs/dbraw/zinc/04/62/28/1211046228.db2.gz GPUGGHUUBDSMPQ-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001274908429 1211142099 /nfs/dbraw/zinc/14/20/99/1211142099.db2.gz LXXSAEJMNDPLAR-LNLFQRSKSA-N 2 1 361.490 0.263 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001274908429 1211142101 /nfs/dbraw/zinc/14/21/01/1211142101.db2.gz LXXSAEJMNDPLAR-LNLFQRSKSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001274908429 1211142104 /nfs/dbraw/zinc/14/21/04/1211142104.db2.gz LXXSAEJMNDPLAR-LNLFQRSKSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001274908429 1211142105 /nfs/dbraw/zinc/14/21/05/1211142105.db2.gz LXXSAEJMNDPLAR-LNLFQRSKSA-N 2 1 361.490 0.263 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[NH+]4CC4CC4)CC3)[C@H]2C1 ZINC001274923930 1211145135 /nfs/dbraw/zinc/14/51/35/1211145135.db2.gz HMZXMQCXXOKPSL-ULQDDVLXSA-N 2 1 360.502 0.530 20 0 FCADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[N@@H+]4CC4CC4)CC3)[C@H]2C1 ZINC001274923930 1211145136 /nfs/dbraw/zinc/14/51/36/1211145136.db2.gz HMZXMQCXXOKPSL-ULQDDVLXSA-N 2 1 360.502 0.530 20 0 FCADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[N@H+]4CC4CC4)CC3)[C@H]2C1 ZINC001274923930 1211145140 /nfs/dbraw/zinc/14/51/40/1211145140.db2.gz HMZXMQCXXOKPSL-ULQDDVLXSA-N 2 1 360.502 0.530 20 0 FCADMP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275171683 1211188136 /nfs/dbraw/zinc/18/81/36/1211188136.db2.gz MUEFWTOKMBYSDO-FGTMMUONSA-N 2 1 368.522 0.023 20 0 FCADMP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171683 1211188139 /nfs/dbraw/zinc/18/81/39/1211188139.db2.gz MUEFWTOKMBYSDO-FGTMMUONSA-N 2 1 368.522 0.023 20 0 FCADMP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171683 1211188142 /nfs/dbraw/zinc/18/81/42/1211188142.db2.gz MUEFWTOKMBYSDO-FGTMMUONSA-N 2 1 368.522 0.023 20 0 FCADMP CCNC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275448753 1211239882 /nfs/dbraw/zinc/23/98/82/1211239882.db2.gz WIWVDITZHZWENQ-UHFFFAOYSA-N 2 1 359.474 0.835 20 0 FCADMP Cn1cc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c2cccnc21 ZINC001275461169 1211244822 /nfs/dbraw/zinc/24/48/22/1211244822.db2.gz TXPQZUDFFAMDCK-UHFFFAOYSA-N 2 1 357.458 0.548 20 0 FCADMP COC(C[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O)OC ZINC001275493952 1211250780 /nfs/dbraw/zinc/25/07/80/1211250780.db2.gz QTXRLWUZLUPESZ-IBGZPJMESA-N 2 1 368.522 0.310 20 0 FCADMP COc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275500836 1211251608 /nfs/dbraw/zinc/25/16/08/1211251608.db2.gz SIEIDWQTQMGVAW-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3COC(=O)C(C)(C)C)CC1 ZINC001275556156 1211256616 /nfs/dbraw/zinc/25/66/16/1211256616.db2.gz HQPAUBZTOYXDDY-UHFFFAOYSA-N 2 1 367.490 0.788 20 0 FCADMP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001275590141 1211261226 /nfs/dbraw/zinc/26/12/26/1211261226.db2.gz RYWBIGSAJUFSIH-IBGZPJMESA-N 2 1 361.490 0.513 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c(OC)n1 ZINC001275735387 1211278404 /nfs/dbraw/zinc/27/84/04/1211278404.db2.gz KXBATMSCIQKXJU-SFHVURJKSA-N 2 1 363.462 0.480 20 0 FCADMP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737566 1211278661 /nfs/dbraw/zinc/27/86/61/1211278661.db2.gz LNRDOTCZKBRFMV-AUUYWEPGSA-N 2 1 365.474 0.779 20 0 FCADMP O=C1CC[C@H](CN2C(=O)C[C@@]3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736145 1211278677 /nfs/dbraw/zinc/27/86/77/1211278677.db2.gz CDXWWHFJQIKOKZ-DNVCBOLYSA-N 2 1 362.474 0.106 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738030 1211279359 /nfs/dbraw/zinc/27/93/59/1211279359.db2.gz RUITYRNBZZDGRU-IBGZPJMESA-N 2 1 367.490 0.489 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833324 1211293646 /nfs/dbraw/zinc/29/36/46/1211293646.db2.gz BAAQBKKAIBTLTM-HNAYVOBHSA-N 2 1 366.506 0.286 20 0 FCADMP Cn1cnnc1CN1CC[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833458 1211293655 /nfs/dbraw/zinc/29/36/55/1211293655.db2.gz HYOSOYFAGSOKAM-IBGZPJMESA-N 2 1 360.506 0.971 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833822 1211294209 /nfs/dbraw/zinc/29/42/09/1211294209.db2.gz QKMCRAPJSKNBIK-OXJNMPFZSA-N 2 1 362.518 0.921 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C3CC3)CC1)CC2 ZINC001275857267 1211298793 /nfs/dbraw/zinc/29/87/93/1211298793.db2.gz WSTVMCNXENXEBN-UHFFFAOYSA-N 2 1 362.518 0.873 20 0 FCADMP CCCC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001221235166 1225276668 /nfs/dbraw/zinc/27/66/68/1225276668.db2.gz UQAWJVYRPXCJFE-SJORKVTESA-N 2 1 358.486 0.868 20 0 FCADMP CCCC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001221235166 1225276670 /nfs/dbraw/zinc/27/66/70/1225276670.db2.gz UQAWJVYRPXCJFE-SJORKVTESA-N 2 1 358.486 0.868 20 0 FCADMP Cn1cnnc1CNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001275877362 1211303169 /nfs/dbraw/zinc/30/31/69/1211303169.db2.gz AMRKHZZVJYIOMH-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878819 1211306075 /nfs/dbraw/zinc/30/60/75/1211306075.db2.gz LYGKWEMZNWUHJF-HKUYNNGSSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275878819 1211306079 /nfs/dbraw/zinc/30/60/79/1211306079.db2.gz LYGKWEMZNWUHJF-HKUYNNGSSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878819 1211306081 /nfs/dbraw/zinc/30/60/81/1211306081.db2.gz LYGKWEMZNWUHJF-HKUYNNGSSA-N 2 1 369.506 0.500 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3cnc4c(c3)OCCO4)C2)C1=O ZINC001275966999 1211318831 /nfs/dbraw/zinc/31/88/31/1211318831.db2.gz MGJRLINXFKDWEY-LJQANCHMSA-N 2 1 360.458 0.839 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369602598 1211329819 /nfs/dbraw/zinc/32/98/19/1211329819.db2.gz RNDAIGZXNDTMEZ-OTWHNJEPSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369602598 1211329821 /nfs/dbraw/zinc/32/98/21/1211329821.db2.gz RNDAIGZXNDTMEZ-OTWHNJEPSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000369602598 1211329823 /nfs/dbraw/zinc/32/98/23/1211329823.db2.gz RNDAIGZXNDTMEZ-OTWHNJEPSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369602598 1211329826 /nfs/dbraw/zinc/32/98/26/1211329826.db2.gz RNDAIGZXNDTMEZ-OTWHNJEPSA-N 2 1 359.470 0.867 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001221254635 1225282803 /nfs/dbraw/zinc/28/28/03/1225282803.db2.gz RRJJJEKQSGVNSZ-GUYCJALGSA-N 2 1 357.458 0.222 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001095606277 1211423830 /nfs/dbraw/zinc/42/38/30/1211423830.db2.gz ZTURFUFWHGUOJA-QZWWFDLISA-N 2 1 360.502 0.815 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001095606277 1211423832 /nfs/dbraw/zinc/42/38/32/1211423832.db2.gz ZTURFUFWHGUOJA-QZWWFDLISA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424178 /nfs/dbraw/zinc/42/41/78/1211424178.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 1 364.490 0.048 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424180 /nfs/dbraw/zinc/42/41/80/1211424180.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 1 364.490 0.048 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[NH+](C)C2)c1)C1CC1 ZINC000546585049 1211437702 /nfs/dbraw/zinc/43/77/02/1211437702.db2.gz ATRLOBNZDBZQLH-HXUWFJFHSA-N 2 1 374.485 0.445 20 0 FCADMP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1)C1CC1 ZINC000546585049 1211437707 /nfs/dbraw/zinc/43/77/07/1211437707.db2.gz ATRLOBNZDBZQLH-HXUWFJFHSA-N 2 1 374.485 0.445 20 0 FCADMP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1)C1CC1 ZINC000546585049 1211437710 /nfs/dbraw/zinc/43/77/10/1211437710.db2.gz ATRLOBNZDBZQLH-HXUWFJFHSA-N 2 1 374.485 0.445 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[NH+](C)C3)c2C1 ZINC000546589147 1211438488 /nfs/dbraw/zinc/43/84/88/1211438488.db2.gz NJCBVPLYZHJXND-LJQANCHMSA-N 2 1 360.458 0.534 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[NH+](C)C3)c2C1 ZINC000546589147 1211438492 /nfs/dbraw/zinc/43/84/92/1211438492.db2.gz NJCBVPLYZHJXND-LJQANCHMSA-N 2 1 360.458 0.534 20 0 FCADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2C1 ZINC000546589147 1211438494 /nfs/dbraw/zinc/43/84/94/1211438494.db2.gz NJCBVPLYZHJXND-LJQANCHMSA-N 2 1 360.458 0.534 20 0 FCADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2C1 ZINC000546589147 1211438497 /nfs/dbraw/zinc/43/84/97/1211438497.db2.gz NJCBVPLYZHJXND-LJQANCHMSA-N 2 1 360.458 0.534 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000546588788 1211438705 /nfs/dbraw/zinc/43/87/05/1211438705.db2.gz IPGOGPRXAYRBKI-HXUWFJFHSA-N 2 1 374.485 0.446 20 0 FCADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000547269127 1211451549 /nfs/dbraw/zinc/45/15/49/1211451549.db2.gz ZYKFYSXTWZGKMW-LJQANCHMSA-N 2 1 362.474 0.650 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924643202 1211475724 /nfs/dbraw/zinc/47/57/24/1211475724.db2.gz LXCJZZATVADRKJ-GJZGRUSLSA-N 2 1 360.462 0.074 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000926322474 1211530583 /nfs/dbraw/zinc/53/05/83/1211530583.db2.gz WJQDLCUSQAJIPA-VQHPVUNQSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926349326 1211536999 /nfs/dbraw/zinc/53/69/99/1211536999.db2.gz VSHHDDHHAICEAR-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@@H]1C ZINC000927636196 1211577034 /nfs/dbraw/zinc/57/70/34/1211577034.db2.gz KTHNLQLPYWVGTP-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001110961167 1211615811 /nfs/dbraw/zinc/61/58/11/1211615811.db2.gz UOTSOLVRLUSSFD-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001110961167 1211615814 /nfs/dbraw/zinc/61/58/14/1211615814.db2.gz UOTSOLVRLUSSFD-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)N1CCCC1 ZINC000929178929 1211621338 /nfs/dbraw/zinc/62/13/38/1211621338.db2.gz BNYMWBNMIQITSJ-RDJZCZTQSA-N 2 1 374.485 0.769 20 0 FCADMP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCN2C)N2CCCC2)c1 ZINC000929199643 1211622695 /nfs/dbraw/zinc/62/26/95/1211622695.db2.gz BTQOWACCGYUEFN-SJLPKXTDSA-N 2 1 374.485 0.769 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000929645804 1211652383 /nfs/dbraw/zinc/65/23/83/1211652383.db2.gz LFDHMSUJAYRRKG-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000929645804 1211652386 /nfs/dbraw/zinc/65/23/86/1211652386.db2.gz LFDHMSUJAYRRKG-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000929646760 1211653155 /nfs/dbraw/zinc/65/31/55/1211653155.db2.gz VCEXCSIJMBOPFI-UHFFFAOYSA-N 2 1 363.462 0.145 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000929797408 1211661159 /nfs/dbraw/zinc/66/11/59/1211661159.db2.gz DOLWSCOMYADIPC-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000929797408 1211661167 /nfs/dbraw/zinc/66/11/67/1211661167.db2.gz DOLWSCOMYADIPC-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000929797408 1211661174 /nfs/dbraw/zinc/66/11/74/1211661174.db2.gz DOLWSCOMYADIPC-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000929797408 1211661176 /nfs/dbraw/zinc/66/11/76/1211661176.db2.gz DOLWSCOMYADIPC-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931103103 1211740149 /nfs/dbraw/zinc/74/01/49/1211740149.db2.gz BJUKQTHRDZOELN-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931103103 1211740155 /nfs/dbraw/zinc/74/01/55/1211740155.db2.gz BJUKQTHRDZOELN-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931103103 1211740158 /nfs/dbraw/zinc/74/01/58/1211740158.db2.gz BJUKQTHRDZOELN-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931103103 1211740160 /nfs/dbraw/zinc/74/01/60/1211740160.db2.gz BJUKQTHRDZOELN-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000931488404 1211757772 /nfs/dbraw/zinc/75/77/72/1211757772.db2.gz RRPMFCOLCCMMCM-HNNXBMFYSA-N 2 1 363.458 0.331 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)O1 ZINC000947069604 1211766182 /nfs/dbraw/zinc/76/61/82/1211766182.db2.gz YQPVQZRONUURLM-GDBMZVCRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)O1 ZINC000947069604 1211766183 /nfs/dbraw/zinc/76/61/83/1211766183.db2.gz YQPVQZRONUURLM-GDBMZVCRSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001111018573 1211774665 /nfs/dbraw/zinc/77/46/65/1211774665.db2.gz ZSFFBFCVSXELQI-VQHPVUNQSA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001111018573 1211774674 /nfs/dbraw/zinc/77/46/74/1211774674.db2.gz ZSFFBFCVSXELQI-VQHPVUNQSA-N 2 1 365.522 0.854 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000931874148 1211776239 /nfs/dbraw/zinc/77/62/39/1211776239.db2.gz BJLTVPPNBSKXCX-IBGZPJMESA-N 2 1 372.513 0.974 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000931874148 1211776240 /nfs/dbraw/zinc/77/62/40/1211776240.db2.gz BJLTVPPNBSKXCX-IBGZPJMESA-N 2 1 372.513 0.974 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000931874148 1211776242 /nfs/dbraw/zinc/77/62/42/1211776242.db2.gz BJLTVPPNBSKXCX-IBGZPJMESA-N 2 1 372.513 0.974 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000931874148 1211776244 /nfs/dbraw/zinc/77/62/44/1211776244.db2.gz BJLTVPPNBSKXCX-IBGZPJMESA-N 2 1 372.513 0.974 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000931876723 1211777896 /nfs/dbraw/zinc/77/78/96/1211777896.db2.gz AMBIPZMOWDTEHR-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000931876723 1211777904 /nfs/dbraw/zinc/77/79/04/1211777904.db2.gz AMBIPZMOWDTEHR-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000931876723 1211777907 /nfs/dbraw/zinc/77/79/07/1211777907.db2.gz AMBIPZMOWDTEHR-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000931876723 1211777911 /nfs/dbraw/zinc/77/79/11/1211777911.db2.gz AMBIPZMOWDTEHR-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931883880 1211779514 /nfs/dbraw/zinc/77/95/14/1211779514.db2.gz VKRUAIZADINFRI-SFHVURJKSA-N 2 1 373.501 0.967 20 0 FCADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931883880 1211779518 /nfs/dbraw/zinc/77/95/18/1211779518.db2.gz VKRUAIZADINFRI-SFHVURJKSA-N 2 1 373.501 0.967 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021205 1211788495 /nfs/dbraw/zinc/78/84/95/1211788495.db2.gz PQTHQLGDPMQAFA-VQHPVUNQSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021205 1211788498 /nfs/dbraw/zinc/78/84/98/1211788498.db2.gz PQTHQLGDPMQAFA-VQHPVUNQSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111021205 1211788500 /nfs/dbraw/zinc/78/85/00/1211788500.db2.gz PQTHQLGDPMQAFA-VQHPVUNQSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111021205 1211788502 /nfs/dbraw/zinc/78/85/02/1211788502.db2.gz PQTHQLGDPMQAFA-VQHPVUNQSA-N 2 1 365.522 0.900 20 0 FCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000933220302 1211838022 /nfs/dbraw/zinc/83/80/22/1211838022.db2.gz AAOJUBWGTQNYHJ-MRXNPFEDSA-N 2 1 359.474 0.721 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001111172560 1211911192 /nfs/dbraw/zinc/91/11/92/1211911192.db2.gz HRMQQNGJTDMPTB-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001111172560 1211911195 /nfs/dbraw/zinc/91/11/95/1211911195.db2.gz HRMQQNGJTDMPTB-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263253 1211987287 /nfs/dbraw/zinc/98/72/87/1211987287.db2.gz IKAYHCQLYQUFNB-HCXYKTFWSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000947250495 1212011073 /nfs/dbraw/zinc/01/10/73/1212011073.db2.gz VXWUMJDHPDLVPV-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000947250495 1212011078 /nfs/dbraw/zinc/01/10/78/1212011078.db2.gz VXWUMJDHPDLVPV-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)ccc2c[nH+]cn21 ZINC000968545945 1212020141 /nfs/dbraw/zinc/02/01/41/1212020141.db2.gz UHQIFHQYHPAFSU-ZACQAIPSSA-N 2 1 371.441 0.038 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947649923 1212058914 /nfs/dbraw/zinc/05/89/14/1212058914.db2.gz LLKMKASERJVRCM-DJIMGWMZSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947649923 1212058920 /nfs/dbraw/zinc/05/89/20/1212058920.db2.gz LLKMKASERJVRCM-DJIMGWMZSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC000948542261 1212197144 /nfs/dbraw/zinc/19/71/44/1212197144.db2.gz OWWGYEHJEJDHOI-IXDOHACOSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCn3cncn3)CC2)O1 ZINC000948542261 1212197147 /nfs/dbraw/zinc/19/71/47/1212197147.db2.gz OWWGYEHJEJDHOI-IXDOHACOSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCn3cncn3)CC2)O1 ZINC000948542261 1212197152 /nfs/dbraw/zinc/19/71/52/1212197152.db2.gz OWWGYEHJEJDHOI-IXDOHACOSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCn3cncn3)CC2)O1 ZINC000948542261 1212197157 /nfs/dbraw/zinc/19/71/57/1212197157.db2.gz OWWGYEHJEJDHOI-IXDOHACOSA-N 2 1 364.494 0.310 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281614 1212234214 /nfs/dbraw/zinc/23/42/14/1212234214.db2.gz ZZFDPSCEPOQTJY-VQHPVUNQSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281614 1212234216 /nfs/dbraw/zinc/23/42/16/1212234216.db2.gz ZZFDPSCEPOQTJY-VQHPVUNQSA-N 2 1 368.522 0.541 20 0 FCADMP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001111282095 1212235139 /nfs/dbraw/zinc/23/51/39/1212235139.db2.gz AVMFTQBEKXZLMR-ZACQAIPSSA-N 2 1 360.502 0.815 20 0 FCADMP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001111282095 1212235145 /nfs/dbraw/zinc/23/51/45/1212235145.db2.gz AVMFTQBEKXZLMR-ZACQAIPSSA-N 2 1 360.502 0.815 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000969055317 1212250985 /nfs/dbraw/zinc/25/09/85/1212250985.db2.gz FXKKNZWCGLCSOK-DFBDCSAJSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000969055317 1212250988 /nfs/dbraw/zinc/25/09/88/1212250988.db2.gz FXKKNZWCGLCSOK-DFBDCSAJSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000969055317 1212250992 /nfs/dbraw/zinc/25/09/92/1212250992.db2.gz FXKKNZWCGLCSOK-DFBDCSAJSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949319358 1212354663 /nfs/dbraw/zinc/35/46/63/1212354663.db2.gz NDIXIWHLPMYNRV-XOKHGSTOSA-N 2 1 359.474 0.496 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001007479299 1212501575 /nfs/dbraw/zinc/50/15/75/1212501575.db2.gz IVAVDBPIFNEVDV-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001007479299 1212501579 /nfs/dbraw/zinc/50/15/79/1212501579.db2.gz IVAVDBPIFNEVDV-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001008481337 1212705683 /nfs/dbraw/zinc/70/56/83/1212705683.db2.gz LOIUHPMYHCGMCJ-VCBZYWHSSA-N 2 1 359.474 0.791 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3cnc[nH]3)C2)C1 ZINC001008481337 1212705687 /nfs/dbraw/zinc/70/56/87/1212705687.db2.gz LOIUHPMYHCGMCJ-VCBZYWHSSA-N 2 1 359.474 0.791 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000953977657 1213028932 /nfs/dbraw/zinc/02/89/32/1213028932.db2.gz WUYWCDJUMFPGMC-NVXWUHKLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000953977657 1213028936 /nfs/dbraw/zinc/02/89/36/1213028936.db2.gz WUYWCDJUMFPGMC-NVXWUHKLSA-N 2 1 361.490 0.981 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21)c1cc[nH+]cc1 ZINC001221659042 1225422706 /nfs/dbraw/zinc/42/27/06/1225422706.db2.gz GHUAZDWXFDQDFA-CRAIPNDOSA-N 2 1 371.485 0.719 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21)c1cc[nH+]cc1 ZINC001221659042 1225422714 /nfs/dbraw/zinc/42/27/14/1225422714.db2.gz GHUAZDWXFDQDFA-CRAIPNDOSA-N 2 1 371.485 0.719 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000954646637 1213096182 /nfs/dbraw/zinc/09/61/82/1213096182.db2.gz LFDBZJHPBKFFDR-NVXWUHKLSA-N 2 1 366.506 0.107 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000954646637 1213096186 /nfs/dbraw/zinc/09/61/86/1213096186.db2.gz LFDBZJHPBKFFDR-NVXWUHKLSA-N 2 1 366.506 0.107 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221662349 1225423799 /nfs/dbraw/zinc/42/37/99/1225423799.db2.gz IVTYMXJLMDOOMA-KBAYOESNSA-N 2 1 371.485 0.671 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221662349 1225423802 /nfs/dbraw/zinc/42/38/02/1225423802.db2.gz IVTYMXJLMDOOMA-KBAYOESNSA-N 2 1 371.485 0.671 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788125 1213216117 /nfs/dbraw/zinc/21/61/17/1213216117.db2.gz ROALVTWNYXLWCP-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000641788125 1213216121 /nfs/dbraw/zinc/21/61/21/1213216121.db2.gz ROALVTWNYXLWCP-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641788125 1213216123 /nfs/dbraw/zinc/21/61/23/1213216123.db2.gz ROALVTWNYXLWCP-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957166572 1213272441 /nfs/dbraw/zinc/27/24/41/1213272441.db2.gz RNBIGKJYHIGKGR-IDHHARJASA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957166572 1213272445 /nfs/dbraw/zinc/27/24/45/1213272445.db2.gz RNBIGKJYHIGKGR-IDHHARJASA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000957224251 1213276545 /nfs/dbraw/zinc/27/65/45/1213276545.db2.gz JXXBMZNWIDUIRV-FRQCXROJSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000958029062 1213376325 /nfs/dbraw/zinc/37/63/25/1213376325.db2.gz DZPFHNMLVVVYKW-LTIDMASMSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221692946 1225445515 /nfs/dbraw/zinc/44/55/15/1225445515.db2.gz UEMAHFURDGKVJE-FGTMMUONSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221692946 1225445522 /nfs/dbraw/zinc/44/55/22/1225445522.db2.gz UEMAHFURDGKVJE-FGTMMUONSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221692947 1225445928 /nfs/dbraw/zinc/44/59/28/1225445928.db2.gz UEMAHFURDGKVJE-KZNAEPCWSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221692947 1225445931 /nfs/dbraw/zinc/44/59/31/1225445931.db2.gz UEMAHFURDGKVJE-KZNAEPCWSA-N 2 1 364.490 0.758 20 0 FCADMP COCCC[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276315698 1213403265 /nfs/dbraw/zinc/40/32/65/1213403265.db2.gz MOBZFWNRLSSEQR-SFHVURJKSA-N 2 1 366.550 0.879 20 0 FCADMP CCOC(=O)CC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276318146 1213404088 /nfs/dbraw/zinc/40/40/88/1213404088.db2.gz VURCJRZNFPCNEO-GOSISDBHSA-N 2 1 362.430 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1COC(C)(C)OC1)C2 ZINC001276345551 1213425059 /nfs/dbraw/zinc/42/50/59/1213425059.db2.gz CZYGUZWIPWZHSU-IBGZPJMESA-N 2 1 369.506 0.498 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001221710862 1225452462 /nfs/dbraw/zinc/45/24/62/1225452462.db2.gz MIPVGZVTARGJEC-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001221710862 1225452467 /nfs/dbraw/zinc/45/24/67/1225452467.db2.gz MIPVGZVTARGJEC-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000649308694 1213653501 /nfs/dbraw/zinc/65/35/01/1213653501.db2.gz VPOYXNLGJHAHAI-KRWDZBQOSA-N 2 1 360.458 0.781 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221771922 1225476054 /nfs/dbraw/zinc/47/60/54/1225476054.db2.gz KATBIQBKUGZBMY-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221771922 1225476060 /nfs/dbraw/zinc/47/60/60/1225476060.db2.gz KATBIQBKUGZBMY-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221776814 1225477782 /nfs/dbraw/zinc/47/77/82/1225477782.db2.gz FDACCFAVCNBCQQ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221776814 1225477785 /nfs/dbraw/zinc/47/77/85/1225477785.db2.gz FDACCFAVCNBCQQ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1)[NH+](C)C ZINC000960534932 1213809396 /nfs/dbraw/zinc/80/93/96/1213809396.db2.gz PKLNISXEFVRUGO-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221794297 1225482383 /nfs/dbraw/zinc/48/23/83/1225482383.db2.gz ZZETXLHCNFKRAU-BRWVUGGUSA-N 2 1 367.538 0.813 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221794297 1225482392 /nfs/dbraw/zinc/48/23/92/1225482392.db2.gz ZZETXLHCNFKRAU-BRWVUGGUSA-N 2 1 367.538 0.813 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC[N@@H+]1C ZINC001011208494 1213848681 /nfs/dbraw/zinc/84/86/81/1213848681.db2.gz DEQXJFMNEJWYGI-OAGGEKHMSA-N 2 1 359.474 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC[N@H+]1C ZINC001011208494 1213848685 /nfs/dbraw/zinc/84/86/85/1213848685.db2.gz DEQXJFMNEJWYGI-OAGGEKHMSA-N 2 1 359.474 0.772 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418833170 1213850322 /nfs/dbraw/zinc/85/03/22/1213850322.db2.gz KUXRGWNRRLAQFI-HNAYVOBHSA-N 2 1 360.458 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC001011210988 1213851257 /nfs/dbraw/zinc/85/12/57/1213851257.db2.gz NEQNNAKQIUOCNJ-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@@H+]1C ZINC001011210988 1213851259 /nfs/dbraw/zinc/85/12/59/1213851259.db2.gz NEQNNAKQIUOCNJ-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC001011210988 1213851267 /nfs/dbraw/zinc/85/12/67/1213851267.db2.gz NEQNNAKQIUOCNJ-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC001011210988 1213851269 /nfs/dbraw/zinc/85/12/69/1213851269.db2.gz NEQNNAKQIUOCNJ-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC001011210988 1213851272 /nfs/dbraw/zinc/85/12/72/1213851272.db2.gz NEQNNAKQIUOCNJ-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001014002784 1213917030 /nfs/dbraw/zinc/91/70/30/1213917030.db2.gz HWWUDEDFXJFXMX-MCCLGAHQSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001014002784 1213917033 /nfs/dbraw/zinc/91/70/33/1213917033.db2.gz HWWUDEDFXJFXMX-MCCLGAHQSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001014002784 1213917037 /nfs/dbraw/zinc/91/70/37/1213917037.db2.gz HWWUDEDFXJFXMX-MCCLGAHQSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@H+]1C ZINC001014477651 1213964266 /nfs/dbraw/zinc/96/42/66/1213964266.db2.gz YCWCEGXGBIUAKY-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc4c(c3)nnn4C)C2)CC[NH+]1C ZINC001014477651 1213964274 /nfs/dbraw/zinc/96/42/74/1213964274.db2.gz YCWCEGXGBIUAKY-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc4c(c3)nnn4C)C2)CC[NH+]1C ZINC001014477651 1213964282 /nfs/dbraw/zinc/96/42/82/1213964282.db2.gz YCWCEGXGBIUAKY-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001014484250 1213967215 /nfs/dbraw/zinc/96/72/15/1213967215.db2.gz QVMONBVPTDERAK-QLFBSQMISA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001014484250 1213967218 /nfs/dbraw/zinc/96/72/18/1213967218.db2.gz QVMONBVPTDERAK-QLFBSQMISA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)C2)CC[NH+]1C ZINC001014484250 1213967224 /nfs/dbraw/zinc/96/72/24/1213967224.db2.gz QVMONBVPTDERAK-QLFBSQMISA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3nnn(C(C)(C)C)n3)C2)CC[NH+]1C ZINC001014484250 1213967229 /nfs/dbraw/zinc/96/72/29/1213967229.db2.gz QVMONBVPTDERAK-QLFBSQMISA-N 2 1 363.510 0.501 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733090 1213994306 /nfs/dbraw/zinc/99/43/06/1213994306.db2.gz LRCBVCKAOKCPRF-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733090 1213994312 /nfs/dbraw/zinc/99/43/12/1213994312.db2.gz LRCBVCKAOKCPRF-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733090 1213994322 /nfs/dbraw/zinc/99/43/22/1213994322.db2.gz LRCBVCKAOKCPRF-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733090 1213994328 /nfs/dbraw/zinc/99/43/28/1213994328.db2.gz LRCBVCKAOKCPRF-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419241044 1214087410 /nfs/dbraw/zinc/08/74/10/1214087410.db2.gz RRMJDHCECGJPOC-IIBYNOLFSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419241044 1214087418 /nfs/dbraw/zinc/08/74/18/1214087418.db2.gz RRMJDHCECGJPOC-IIBYNOLFSA-N 2 1 370.497 0.904 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001017491444 1214103341 /nfs/dbraw/zinc/10/33/41/1214103341.db2.gz KCJQZTUZJZXZJY-OKZBNKHCSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001017491444 1214103345 /nfs/dbraw/zinc/10/33/45/1214103345.db2.gz KCJQZTUZJZXZJY-OKZBNKHCSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001017491444 1214103351 /nfs/dbraw/zinc/10/33/51/1214103351.db2.gz KCJQZTUZJZXZJY-OKZBNKHCSA-N 2 1 362.518 0.943 20 0 FCADMP CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001019030929 1214181541 /nfs/dbraw/zinc/18/15/41/1214181541.db2.gz AJASIFYJYKIWNY-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001019030929 1214181545 /nfs/dbraw/zinc/18/15/45/1214181545.db2.gz AJASIFYJYKIWNY-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001019031058 1214182358 /nfs/dbraw/zinc/18/23/58/1214182358.db2.gz FVRQNNIMCZBRTL-UHOFOFEASA-N 2 1 363.462 0.203 20 0 FCADMP COc1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001019031058 1214182360 /nfs/dbraw/zinc/18/23/60/1214182360.db2.gz FVRQNNIMCZBRTL-UHOFOFEASA-N 2 1 363.462 0.203 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001019071655 1214191677 /nfs/dbraw/zinc/19/16/77/1214191677.db2.gz ULRHKAILWAYNID-HZPDHXFCSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001019071655 1214191680 /nfs/dbraw/zinc/19/16/80/1214191680.db2.gz ULRHKAILWAYNID-HZPDHXFCSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4([NH+](C)C)CCC4)C3)C2)CC[N@H+]1C ZINC001019108080 1214198137 /nfs/dbraw/zinc/19/81/37/1214198137.db2.gz HHVNUDFCEWZLPX-HZPDHXFCSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)CC[N@H+]1C ZINC000961666253 1214262508 /nfs/dbraw/zinc/26/25/08/1214262508.db2.gz IKTVFPQWCWMSFB-WCXIOVBPSA-N 2 1 360.502 0.339 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC000961855811 1214337094 /nfs/dbraw/zinc/33/70/94/1214337094.db2.gz AQDWEDSTTMSREE-XSCHDIRWSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC000961855811 1214337100 /nfs/dbraw/zinc/33/71/00/1214337100.db2.gz AQDWEDSTTMSREE-XSCHDIRWSA-N 2 1 363.510 0.753 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221879781 1225520515 /nfs/dbraw/zinc/52/05/15/1225520515.db2.gz SJOJEZQABPKUID-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221879781 1225520519 /nfs/dbraw/zinc/52/05/19/1225520519.db2.gz SJOJEZQABPKUID-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136794 1214371915 /nfs/dbraw/zinc/37/19/15/1214371915.db2.gz PINYKYYGKBRIIF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136794 1214371923 /nfs/dbraw/zinc/37/19/23/1214371923.db2.gz PINYKYYGKBRIIF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136794 1214371930 /nfs/dbraw/zinc/37/19/30/1214371930.db2.gz PINYKYYGKBRIIF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136794 1214371936 /nfs/dbraw/zinc/37/19/36/1214371936.db2.gz PINYKYYGKBRIIF-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001039857601 1214447375 /nfs/dbraw/zinc/44/73/75/1214447375.db2.gz FAXVZUQBQDYTRI-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001039865316 1214450186 /nfs/dbraw/zinc/45/01/86/1214450186.db2.gz OEWFXTFOBWKQKI-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC001040705134 1214568416 /nfs/dbraw/zinc/56/84/16/1214568416.db2.gz DFMKVWVWUHCIAM-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221933708 1225540063 /nfs/dbraw/zinc/54/00/63/1225540063.db2.gz LKPKKPIPRXLTKZ-RTBURBONSA-N 2 1 365.518 0.650 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950601 1225549386 /nfs/dbraw/zinc/54/93/86/1225549386.db2.gz PCJJWDWINHQDHJ-BRWVUGGUSA-N 2 1 368.522 0.353 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950601 1225549389 /nfs/dbraw/zinc/54/93/89/1225549389.db2.gz PCJJWDWINHQDHJ-BRWVUGGUSA-N 2 1 368.522 0.353 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)nc(C)[nH+]1 ZINC001041152172 1214723844 /nfs/dbraw/zinc/72/38/44/1214723844.db2.gz GJJFQYSNWREZIE-IAGOWNOFSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)nc(C)[nH+]1 ZINC001041201868 1214747613 /nfs/dbraw/zinc/74/76/13/1214747613.db2.gz MJLRVUXPWPCFKV-BRWVUGGUSA-N 2 1 361.490 0.737 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)nc(C)[nH+]1 ZINC001041201868 1214747618 /nfs/dbraw/zinc/74/76/18/1214747618.db2.gz MJLRVUXPWPCFKV-BRWVUGGUSA-N 2 1 361.490 0.737 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221962507 1225554380 /nfs/dbraw/zinc/55/43/80/1225554380.db2.gz HNLGOBZCHCODJJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221962507 1225554385 /nfs/dbraw/zinc/55/43/85/1225554385.db2.gz HNLGOBZCHCODJJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC000963811720 1214855691 /nfs/dbraw/zinc/85/56/91/1214855691.db2.gz OSDGNXXAWYNXKH-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cn(C)nn2)C3)O1 ZINC000964030555 1214890905 /nfs/dbraw/zinc/89/09/05/1214890905.db2.gz QPZNUGKDRWMVLD-APDVAWRBSA-N 2 1 362.478 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cn(C)nn2)C3)O1 ZINC000964030555 1214890908 /nfs/dbraw/zinc/89/09/08/1214890908.db2.gz QPZNUGKDRWMVLD-APDVAWRBSA-N 2 1 362.478 0.051 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018204 1225578626 /nfs/dbraw/zinc/57/86/26/1225578626.db2.gz RKYOUCRIJJLAHN-KZNAEPCWSA-N 2 1 369.506 0.150 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000965977506 1215154522 /nfs/dbraw/zinc/15/45/22/1215154522.db2.gz CWSRECHDYCOJGU-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276827201 1225596853 /nfs/dbraw/zinc/59/68/53/1225596853.db2.gz KJUNOTIGKGFZNF-QFBILLFUSA-N 2 1 369.506 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442115 1225624726 /nfs/dbraw/zinc/62/47/26/1225624726.db2.gz DBAIPFZFZHUYSB-IKGGRYGDSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442115 1225624730 /nfs/dbraw/zinc/62/47/30/1225624730.db2.gz DBAIPFZFZHUYSB-IKGGRYGDSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442115 1225624733 /nfs/dbraw/zinc/62/47/33/1225624733.db2.gz DBAIPFZFZHUYSB-IKGGRYGDSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547995 1215978060 /nfs/dbraw/zinc/97/80/60/1215978060.db2.gz HPUIHRZICNDMGR-LTIDMASMSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547995 1215978062 /nfs/dbraw/zinc/97/80/62/1215978062.db2.gz HPUIHRZICNDMGR-LTIDMASMSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547997 1215978558 /nfs/dbraw/zinc/97/85/58/1215978558.db2.gz HPUIHRZICNDMGR-WCXIOVBPSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547997 1215978559 /nfs/dbraw/zinc/97/85/59/1215978559.db2.gz HPUIHRZICNDMGR-WCXIOVBPSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CCn4cncn4)CC3)CC2)CC[N@H+]1C ZINC001000160602 1216013560 /nfs/dbraw/zinc/01/35/60/1216013560.db2.gz IAKQTCFISBWLPL-NVXWUHKLSA-N 2 1 360.506 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001000700963 1216108299 /nfs/dbraw/zinc/10/82/99/1216108299.db2.gz AYTBVVALKKXKQC-DJIMGWMZSA-N 2 1 358.490 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@H]3CCc4ncnn43)CC2)CC[NH+]1C ZINC001000700963 1216108303 /nfs/dbraw/zinc/10/83/03/1216108303.db2.gz AYTBVVALKKXKQC-DJIMGWMZSA-N 2 1 358.490 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@H]3CCc4ncnn43)CC2)CC[NH+]1C ZINC001000700963 1216108305 /nfs/dbraw/zinc/10/83/05/1216108305.db2.gz AYTBVVALKKXKQC-DJIMGWMZSA-N 2 1 358.490 0.854 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001000836244 1216118443 /nfs/dbraw/zinc/11/84/43/1216118443.db2.gz GDDJHIPBMCFNPO-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001000836244 1216118445 /nfs/dbraw/zinc/11/84/45/1216118445.db2.gz GDDJHIPBMCFNPO-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CCc3cnn(C)c3)CC2)O1 ZINC001000836244 1216118447 /nfs/dbraw/zinc/11/84/47/1216118447.db2.gz GDDJHIPBMCFNPO-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CCc3cnn(C)c3)CC2)O1 ZINC001000836244 1216118450 /nfs/dbraw/zinc/11/84/50/1216118450.db2.gz GDDJHIPBMCFNPO-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001222789209 1225653457 /nfs/dbraw/zinc/65/34/57/1225653457.db2.gz HMKPTBFKELHSTQ-IKGGRYGDSA-N 2 1 366.485 0.881 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001050243692 1216301429 /nfs/dbraw/zinc/30/14/29/1216301429.db2.gz DRCRLMLBARZKTD-ZTFGCOKTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001050243692 1216301435 /nfs/dbraw/zinc/30/14/35/1216301435.db2.gz DRCRLMLBARZKTD-ZTFGCOKTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001050243692 1216301442 /nfs/dbraw/zinc/30/14/42/1216301442.db2.gz DRCRLMLBARZKTD-ZTFGCOKTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+](C)[C@@H]2CCNC2=O)CC[NH+]1C ZINC001050243692 1216301449 /nfs/dbraw/zinc/30/14/49/1216301449.db2.gz DRCRLMLBARZKTD-ZTFGCOKTSA-N 2 1 358.486 0.963 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625271 1216470085 /nfs/dbraw/zinc/47/00/85/1216470085.db2.gz YFEWCTJNUISRIX-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1cccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681283 1216474372 /nfs/dbraw/zinc/47/43/72/1216474372.db2.gz VVRADOGPHOBJKQ-JFIYKMOQSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1cccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681283 1216474378 /nfs/dbraw/zinc/47/43/78/1216474378.db2.gz VVRADOGPHOBJKQ-JFIYKMOQSA-N 2 1 362.474 0.426 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223023722 1225673618 /nfs/dbraw/zinc/67/36/18/1225673618.db2.gz NEUHJSYSEZPNSJ-KGLIPLIRSA-N 2 1 367.494 0.095 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223023722 1225673620 /nfs/dbraw/zinc/67/36/20/1225673620.db2.gz NEUHJSYSEZPNSJ-KGLIPLIRSA-N 2 1 367.494 0.095 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223023722 1225673622 /nfs/dbraw/zinc/67/36/22/1225673622.db2.gz NEUHJSYSEZPNSJ-KGLIPLIRSA-N 2 1 367.494 0.095 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223023722 1225673624 /nfs/dbraw/zinc/67/36/24/1225673624.db2.gz NEUHJSYSEZPNSJ-KGLIPLIRSA-N 2 1 367.494 0.095 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223024380 1225674429 /nfs/dbraw/zinc/67/44/29/1225674429.db2.gz ZWHLWVUSHFPLKD-CVEARBPZSA-N 2 1 365.522 0.665 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223024380 1225674431 /nfs/dbraw/zinc/67/44/31/1225674431.db2.gz ZWHLWVUSHFPLKD-CVEARBPZSA-N 2 1 365.522 0.665 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223024380 1225674436 /nfs/dbraw/zinc/67/44/36/1225674436.db2.gz ZWHLWVUSHFPLKD-CVEARBPZSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001052395080 1216547413 /nfs/dbraw/zinc/54/74/13/1216547413.db2.gz KKFNXWLKYRUZPF-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052395080 1216547417 /nfs/dbraw/zinc/54/74/17/1216547417.db2.gz KKFNXWLKYRUZPF-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052395080 1216547424 /nfs/dbraw/zinc/54/74/24/1216547424.db2.gz KKFNXWLKYRUZPF-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC(CN1CC[N@@H+](CCO)C(C)(C)C1)C[NH+]1CCN(CCO)C(C)(C)C1 ZINC000682036340 1216655567 /nfs/dbraw/zinc/65/55/67/1216655567.db2.gz QODDDMHCHIRQPY-UHFFFAOYSA-N 2 1 370.582 0.400 20 0 FCADMP CC(CN1CC[NH+](CCO)C(C)(C)C1)C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682036340 1216655574 /nfs/dbraw/zinc/65/55/74/1216655574.db2.gz QODDDMHCHIRQPY-UHFFFAOYSA-N 2 1 370.582 0.400 20 0 FCADMP CC(CN1CC[NH+](CCO)C(C)(C)C1)C[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682036340 1216655581 /nfs/dbraw/zinc/65/55/81/1216655581.db2.gz QODDDMHCHIRQPY-UHFFFAOYSA-N 2 1 370.582 0.400 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068885196 1216765719 /nfs/dbraw/zinc/76/57/19/1216765719.db2.gz PQYZPZJOTBBOSA-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001069845013 1216805574 /nfs/dbraw/zinc/80/55/74/1216805574.db2.gz RVNMUBFPUYGPIG-RBSFLKMASA-N 2 1 364.494 0.316 20 0 FCADMP CC(C)[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001069845013 1216805577 /nfs/dbraw/zinc/80/55/77/1216805577.db2.gz RVNMUBFPUYGPIG-RBSFLKMASA-N 2 1 364.494 0.316 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965752 1216872067 /nfs/dbraw/zinc/87/20/67/1216872067.db2.gz DGFDWBYIZHUGNK-SJORKVTESA-N 2 1 369.429 0.536 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965752 1216872070 /nfs/dbraw/zinc/87/20/70/1216872070.db2.gz DGFDWBYIZHUGNK-SJORKVTESA-N 2 1 369.429 0.536 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)ccc2c[nH+]cn21 ZINC001069965726 1216872217 /nfs/dbraw/zinc/87/22/17/1216872217.db2.gz CEIFHKZRZDPQHZ-SJORKVTESA-N 2 1 369.429 0.272 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976565 1216880065 /nfs/dbraw/zinc/88/00/65/1216880065.db2.gz SOXRXWPDBFOZEY-SJORKVTESA-N 2 1 366.429 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@@H+]1C ZINC001041302685 1217274600 /nfs/dbraw/zinc/27/46/00/1217274600.db2.gz XXHCXGYWSRSEFN-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@H+]1C ZINC001041302685 1217274606 /nfs/dbraw/zinc/27/46/06/1217274606.db2.gz XXHCXGYWSRSEFN-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001041302685 1217274613 /nfs/dbraw/zinc/27/46/13/1217274613.db2.gz XXHCXGYWSRSEFN-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001041302685 1217274617 /nfs/dbraw/zinc/27/46/17/1217274617.db2.gz XXHCXGYWSRSEFN-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nc(C)[nH+]1 ZINC001042680787 1217444649 /nfs/dbraw/zinc/44/46/49/1217444649.db2.gz OUWCLPVHUVYXKS-YZCBUGBQSA-N 2 1 371.485 0.898 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)nc(C)[nH+]1 ZINC001042680787 1217444655 /nfs/dbraw/zinc/44/46/55/1217444655.db2.gz OUWCLPVHUVYXKS-YZCBUGBQSA-N 2 1 371.485 0.898 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223923289 1225747796 /nfs/dbraw/zinc/74/77/96/1225747796.db2.gz YJSYGCLUMYFQGR-VKJFTORMSA-N 2 1 362.474 0.691 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223923289 1225747800 /nfs/dbraw/zinc/74/78/00/1225747800.db2.gz YJSYGCLUMYFQGR-VKJFTORMSA-N 2 1 362.474 0.691 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130116 1225759397 /nfs/dbraw/zinc/75/93/97/1225759397.db2.gz OAHHXZQMFKBGKT-IKGGRYGDSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130116 1225759403 /nfs/dbraw/zinc/75/94/03/1225759403.db2.gz OAHHXZQMFKBGKT-IKGGRYGDSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130116 1225759407 /nfs/dbraw/zinc/75/94/07/1225759407.db2.gz OAHHXZQMFKBGKT-IKGGRYGDSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001224233742 1225767010 /nfs/dbraw/zinc/76/70/10/1225767010.db2.gz XQQVVVJSXFFYJN-CVEARBPZSA-N 2 1 364.490 0.398 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001224233742 1225767014 /nfs/dbraw/zinc/76/70/14/1225767014.db2.gz XQQVVVJSXFFYJN-CVEARBPZSA-N 2 1 364.490 0.398 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001224233742 1225767017 /nfs/dbraw/zinc/76/70/17/1225767017.db2.gz XQQVVVJSXFFYJN-CVEARBPZSA-N 2 1 364.490 0.398 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044164379 1217811186 /nfs/dbraw/zinc/81/11/86/1217811186.db2.gz GJJFQYSNWREZIE-SJORKVTESA-N 2 1 361.490 0.880 20 0 FCADMP C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961147 1225770801 /nfs/dbraw/zinc/77/08/01/1225770801.db2.gz ZJZFRSLROQJCEQ-QUCCMNQESA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961147 1225770806 /nfs/dbraw/zinc/77/08/06/1225770806.db2.gz ZJZFRSLROQJCEQ-QUCCMNQESA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961147 1225770809 /nfs/dbraw/zinc/77/08/09/1225770809.db2.gz ZJZFRSLROQJCEQ-QUCCMNQESA-N 2 1 366.550 0.709 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224297999 1225771154 /nfs/dbraw/zinc/77/11/54/1225771154.db2.gz KIPJTKVSFRNKOS-BBWFWOEESA-N 2 1 361.490 0.967 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001045044674 1217895710 /nfs/dbraw/zinc/89/57/10/1217895710.db2.gz QGKJJCWIUZXVAK-HRCADAONSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001045044674 1217895713 /nfs/dbraw/zinc/89/57/13/1217895713.db2.gz QGKJJCWIUZXVAK-HRCADAONSA-N 2 1 363.510 0.894 20 0 FCADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900192323 1217969374 /nfs/dbraw/zinc/96/93/74/1217969374.db2.gz LKIWKTXFJNSGLQ-PZJWPPBQSA-N 2 1 374.529 0.895 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000900340282 1217979886 /nfs/dbraw/zinc/97/98/86/1217979886.db2.gz VZNSYXVRCFKQJM-UHFFFAOYSA-N 3 1 357.462 0.844 20 0 FCADMP COc1cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000900480578 1217995935 /nfs/dbraw/zinc/99/59/35/1217995935.db2.gz IIMZGYWCENJENS-BEFAXECRSA-N 2 1 365.474 0.707 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417280 1218034999 /nfs/dbraw/zinc/03/49/99/1218034999.db2.gz KDDJPLDQMKUDBF-SZVBFZGTSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417280 1218035002 /nfs/dbraw/zinc/03/50/02/1218035002.db2.gz KDDJPLDQMKUDBF-SZVBFZGTSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417280 1218035006 /nfs/dbraw/zinc/03/50/06/1218035006.db2.gz KDDJPLDQMKUDBF-SZVBFZGTSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046417280 1218035011 /nfs/dbraw/zinc/03/50/11/1218035011.db2.gz KDDJPLDQMKUDBF-SZVBFZGTSA-N 2 1 363.506 0.745 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900804845 1218039770 /nfs/dbraw/zinc/03/97/70/1218039770.db2.gz NRFRMPXJXLYPJJ-AZUAARDMSA-N 2 1 373.545 0.949 20 0 FCADMP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900808766 1218040899 /nfs/dbraw/zinc/04/08/99/1218040899.db2.gz WUZKFIJANJWLGX-MSOLQXFVSA-N 2 1 374.533 0.344 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCC2(F)F)CC[N@H+]1C ZINC001046944234 1218089242 /nfs/dbraw/zinc/08/92/42/1218089242.db2.gz LFPDGQZURZSGGE-QLFBSQMISA-N 2 1 370.448 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCn3cncn3)CCC2(F)F)CC[NH+]1C ZINC001046944234 1218089248 /nfs/dbraw/zinc/08/92/48/1218089248.db2.gz LFPDGQZURZSGGE-QLFBSQMISA-N 2 1 370.448 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)CCC2(F)F)CC[NH+]1C ZINC001046944234 1218089250 /nfs/dbraw/zinc/08/92/50/1218089250.db2.gz LFPDGQZURZSGGE-QLFBSQMISA-N 2 1 370.448 0.692 20 0 FCADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057699 1218089933 /nfs/dbraw/zinc/08/99/33/1218089933.db2.gz WTIAZYTTXPDIBP-CABCVRRESA-N 2 1 370.413 0.185 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057699 1218089939 /nfs/dbraw/zinc/08/99/39/1218089939.db2.gz WTIAZYTTXPDIBP-CABCVRRESA-N 2 1 370.413 0.185 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001047384930 1218137434 /nfs/dbraw/zinc/13/74/34/1218137434.db2.gz OETSLUXBAPGYIO-FTWQHDNSSA-N 2 1 361.486 0.564 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001047384930 1218137437 /nfs/dbraw/zinc/13/74/37/1218137437.db2.gz OETSLUXBAPGYIO-FTWQHDNSSA-N 2 1 361.486 0.564 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001047384930 1218137439 /nfs/dbraw/zinc/13/74/39/1218137439.db2.gz OETSLUXBAPGYIO-FTWQHDNSSA-N 2 1 361.486 0.564 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225347536 1225808052 /nfs/dbraw/zinc/80/80/52/1225808052.db2.gz ZOOWDBLSQDRXSL-KFWWJZLASA-N 2 1 367.494 0.333 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538262 1218283158 /nfs/dbraw/zinc/28/31/58/1218283158.db2.gz NRXVPHHLEANIEC-RGGMIXCSSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538262 1218283162 /nfs/dbraw/zinc/28/31/62/1218283162.db2.gz NRXVPHHLEANIEC-RGGMIXCSSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538262 1218283165 /nfs/dbraw/zinc/28/31/65/1218283165.db2.gz NRXVPHHLEANIEC-RGGMIXCSSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048538262 1218283169 /nfs/dbraw/zinc/28/31/69/1218283169.db2.gz NRXVPHHLEANIEC-RGGMIXCSSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048538262 1218283175 /nfs/dbraw/zinc/28/31/75/1218283175.db2.gz NRXVPHHLEANIEC-RGGMIXCSSA-N 2 1 366.506 0.329 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4c3CCO4)C2)OCC1=O ZINC001277050857 1225814621 /nfs/dbraw/zinc/81/46/21/1225814621.db2.gz ZTWFYBVLQMZLKH-HXUWFJFHSA-N 2 1 359.470 0.986 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001225525653 1225815226 /nfs/dbraw/zinc/81/52/26/1225815226.db2.gz SIRCKRPGSUWZTR-BZUAXINKSA-N 2 1 365.478 0.658 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001225525653 1225815230 /nfs/dbraw/zinc/81/52/30/1225815230.db2.gz SIRCKRPGSUWZTR-BZUAXINKSA-N 2 1 365.478 0.658 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000803564425 1218437502 /nfs/dbraw/zinc/43/75/02/1218437502.db2.gz MAROCLHOAKDLJL-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543524 1218475761 /nfs/dbraw/zinc/47/57/61/1218475761.db2.gz VQHMSYBTFFWCPJ-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543524 1218475766 /nfs/dbraw/zinc/47/57/66/1218475766.db2.gz VQHMSYBTFFWCPJ-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543524 1218475772 /nfs/dbraw/zinc/47/57/72/1218475772.db2.gz VQHMSYBTFFWCPJ-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP COCc1noc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903756669 1218517079 /nfs/dbraw/zinc/51/70/79/1218517079.db2.gz VJZYCPGYQWZPTE-HNNXBMFYSA-N 2 1 365.478 0.492 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)C1 ZINC001096582957 1218564454 /nfs/dbraw/zinc/56/44/54/1218564454.db2.gz IKEXHPLYPHTGRE-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2CCCC2=O)C1 ZINC001096582957 1218564463 /nfs/dbraw/zinc/56/44/63/1218564463.db2.gz IKEXHPLYPHTGRE-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980078 1218579037 /nfs/dbraw/zinc/57/90/37/1218579037.db2.gz GIDQJOPXAJZZLH-OKZBNKHCSA-N 3 1 359.522 0.603 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001097086299 1218685167 /nfs/dbraw/zinc/68/51/67/1218685167.db2.gz WHSIWRYDFOTKBE-HCXYKTFWSA-N 2 1 370.497 0.949 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)N1CCC1 ZINC001097315345 1218773715 /nfs/dbraw/zinc/77/37/15/1218773715.db2.gz VPZBOKMQDDWETL-ZACQAIPSSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)N1CCC1 ZINC001097315345 1218773723 /nfs/dbraw/zinc/77/37/23/1218773723.db2.gz VPZBOKMQDDWETL-ZACQAIPSSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001097430368 1218808623 /nfs/dbraw/zinc/80/86/23/1218808623.db2.gz KTABDWUEEXUSMD-XDNAFOTISA-N 2 1 373.501 0.594 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097848913 1218850913 /nfs/dbraw/zinc/85/09/13/1218850913.db2.gz WDKQFPWLANRWSH-JJXSEGSLSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097848913 1218850914 /nfs/dbraw/zinc/85/09/14/1218850914.db2.gz WDKQFPWLANRWSH-JJXSEGSLSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001097848913 1218850917 /nfs/dbraw/zinc/85/09/17/1218850917.db2.gz WDKQFPWLANRWSH-JJXSEGSLSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001097848913 1218850918 /nfs/dbraw/zinc/85/09/18/1218850918.db2.gz WDKQFPWLANRWSH-JJXSEGSLSA-N 2 1 362.474 0.341 20 0 FCADMP O=C(CCc1cnc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001226680708 1225851923 /nfs/dbraw/zinc/85/19/23/1225851923.db2.gz ZSSPWUBSJDNBKM-HUUCEWRRSA-N 2 1 371.445 0.788 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCc4cnn(C)c4)C3)C2)CC[N@H+]1C ZINC001053807030 1218892146 /nfs/dbraw/zinc/89/21/46/1218892146.db2.gz YOERMPQKISZSML-HYVNUMGLSA-N 2 1 361.490 0.262 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@@H+]1C ZINC001054134500 1218898829 /nfs/dbraw/zinc/89/88/29/1218898829.db2.gz FUZWNCXWYJHBNF-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@H+]1C ZINC001054134500 1218898830 /nfs/dbraw/zinc/89/88/30/1218898830.db2.gz FUZWNCXWYJHBNF-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001054134500 1218898832 /nfs/dbraw/zinc/89/88/32/1218898832.db2.gz FUZWNCXWYJHBNF-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001054134500 1218898833 /nfs/dbraw/zinc/89/88/33/1218898833.db2.gz FUZWNCXWYJHBNF-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226765863 1225854312 /nfs/dbraw/zinc/85/43/12/1225854312.db2.gz GASDCNMOFDHMAQ-RBSFLKMASA-N 2 1 367.494 0.461 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001227150157 1225864650 /nfs/dbraw/zinc/86/46/50/1225864650.db2.gz KYCQWODKOWYFAJ-GVDBMIGSSA-N 2 1 365.522 0.991 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227165102 1225864997 /nfs/dbraw/zinc/86/49/97/1225864997.db2.gz JELQTTZUZLNWMB-ZIAGYGMSSA-N 2 1 369.510 0.579 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)OC)CC2)CC[N@H+]1C ZINC001055534270 1219070543 /nfs/dbraw/zinc/07/05/43/1219070543.db2.gz FHKUWGSINZBYAE-HYVNUMGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cocn3)CC2)CC[N@@H+]1C ZINC001055542477 1219074325 /nfs/dbraw/zinc/07/43/25/1219074325.db2.gz BKJMIOPWIUQVDA-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cocn3)CC2)CC[N@H+]1C ZINC001055542477 1219074330 /nfs/dbraw/zinc/07/43/30/1219074330.db2.gz BKJMIOPWIUQVDA-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001055545617 1219075196 /nfs/dbraw/zinc/07/51/96/1219075196.db2.gz OARYMUOCTFPGBP-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001055545617 1219075200 /nfs/dbraw/zinc/07/52/00/1219075200.db2.gz OARYMUOCTFPGBP-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP C/C=C(/C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055556221 1219078077 /nfs/dbraw/zinc/07/80/77/1219078077.db2.gz KBYHJVCBMYEZJF-HFRZQLDCSA-N 2 1 366.506 0.369 20 0 FCADMP C/C=C(/C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055556221 1219078080 /nfs/dbraw/zinc/07/80/80/1219078080.db2.gz KBYHJVCBMYEZJF-HFRZQLDCSA-N 2 1 366.506 0.369 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC001055578203 1219085774 /nfs/dbraw/zinc/08/57/74/1219085774.db2.gz HVTDCPNSTBFOCQ-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055607394 1219097448 /nfs/dbraw/zinc/09/74/48/1219097448.db2.gz ZGWKODFQFYGEED-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059498 1219115657 /nfs/dbraw/zinc/11/56/57/1219115657.db2.gz IUNNTWTYGONNEJ-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059498 1219115664 /nfs/dbraw/zinc/11/56/64/1219115664.db2.gz IUNNTWTYGONNEJ-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059498 1219115669 /nfs/dbraw/zinc/11/56/69/1219115669.db2.gz IUNNTWTYGONNEJ-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000804062211 1219118179 /nfs/dbraw/zinc/11/81/79/1219118179.db2.gz DDXHBZTUVKRVLO-SJORKVTESA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001070068176 1219131940 /nfs/dbraw/zinc/13/19/40/1219131940.db2.gz KRABVMVPWFNQRA-OIISXLGYSA-N 2 1 364.494 0.121 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070096386 1219167756 /nfs/dbraw/zinc/16/77/56/1219167756.db2.gz XERZSADXPQWTBG-OAGGEKHMSA-N 2 1 361.450 0.250 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070096386 1219167760 /nfs/dbraw/zinc/16/77/60/1219167760.db2.gz XERZSADXPQWTBG-OAGGEKHMSA-N 2 1 361.450 0.250 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097212 1219168865 /nfs/dbraw/zinc/16/88/65/1219168865.db2.gz HLGHYVQYPAAXHK-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097212 1219168869 /nfs/dbraw/zinc/16/88/69/1219168869.db2.gz HLGHYVQYPAAXHK-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097212 1219168874 /nfs/dbraw/zinc/16/88/74/1219168874.db2.gz HLGHYVQYPAAXHK-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCOCC2)CC[N@H+]1C ZINC001070123425 1219194941 /nfs/dbraw/zinc/19/49/41/1219194941.db2.gz NQOXQXJTAMTYOG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070123425 1219194945 /nfs/dbraw/zinc/19/49/45/1219194945.db2.gz NQOXQXJTAMTYOG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070123425 1219194948 /nfs/dbraw/zinc/19/49/48/1219194948.db2.gz NQOXQXJTAMTYOG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070124852 1219196984 /nfs/dbraw/zinc/19/69/84/1219196984.db2.gz BYUZRJZOXYFDLK-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NCCCOC)CC2)CC[N@@H+]1C ZINC001227454849 1225875440 /nfs/dbraw/zinc/87/54/40/1225875440.db2.gz WEWWZSYXQWYJDE-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NCCCOC)CC2)CC[N@H+]1C ZINC001227454849 1225875445 /nfs/dbraw/zinc/87/54/45/1225875445.db2.gz WEWWZSYXQWYJDE-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158558 1219245521 /nfs/dbraw/zinc/24/55/21/1219245521.db2.gz POBSAMWYKCLIRK-SQNIBIBYSA-N 2 1 369.473 0.617 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001227525401 1225878408 /nfs/dbraw/zinc/87/84/08/1225878408.db2.gz VJXDOMNWRMXWGD-ZIAGYGMSSA-N 2 1 360.418 0.835 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196520 1219287556 /nfs/dbraw/zinc/28/75/56/1219287556.db2.gz BZBHIUFDPBTPAE-DDBAPUKQSA-N 2 1 369.473 0.555 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196520 1219287558 /nfs/dbraw/zinc/28/75/58/1219287558.db2.gz BZBHIUFDPBTPAE-DDBAPUKQSA-N 2 1 369.473 0.555 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199076 1219288456 /nfs/dbraw/zinc/28/84/56/1219288456.db2.gz FLHCJZBMPWLOPM-OAGGEKHMSA-N 2 1 358.450 0.443 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199076 1219288457 /nfs/dbraw/zinc/28/84/57/1219288457.db2.gz FLHCJZBMPWLOPM-OAGGEKHMSA-N 2 1 358.450 0.443 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)[C@@H](n3ccnn3)C2)C1 ZINC001070327008 1219377663 /nfs/dbraw/zinc/37/76/63/1219377663.db2.gz NOQJPIWQQFEYCR-ZNMIVQPWSA-N 2 1 368.432 0.617 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070327161 1219377725 /nfs/dbraw/zinc/37/77/25/1219377725.db2.gz VMPUAMYAPMHQSI-UAGQMJEPSA-N 2 1 355.446 0.167 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070327161 1219377729 /nfs/dbraw/zinc/37/77/29/1219377729.db2.gz VMPUAMYAPMHQSI-UAGQMJEPSA-N 2 1 355.446 0.167 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070328351 1219378998 /nfs/dbraw/zinc/37/89/98/1219378998.db2.gz YMDOZLRWFDREFS-SJORKVTESA-N 2 1 355.446 0.311 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070563723 1219470606 /nfs/dbraw/zinc/47/06/06/1219470606.db2.gz IGPZAIJMYJCJPH-UWWQBHOKSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070563723 1219470610 /nfs/dbraw/zinc/47/06/10/1219470610.db2.gz IGPZAIJMYJCJPH-UWWQBHOKSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070564191 1219471621 /nfs/dbraw/zinc/47/16/21/1219471621.db2.gz ZMCIGJJYSPODPK-HLLBOEOZSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070564191 1219471624 /nfs/dbraw/zinc/47/16/24/1219471624.db2.gz ZMCIGJJYSPODPK-HLLBOEOZSA-N 2 1 371.489 0.190 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070566239 1219472536 /nfs/dbraw/zinc/47/25/36/1219472536.db2.gz GTTYYGGAOQCEBU-JQHSSLGASA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070566239 1219472537 /nfs/dbraw/zinc/47/25/37/1219472537.db2.gz GTTYYGGAOQCEBU-JQHSSLGASA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001070598338 1219481790 /nfs/dbraw/zinc/48/17/90/1219481790.db2.gz ZSLKZXTVWKFKHL-FXUDXRNXSA-N 2 1 365.478 0.650 20 0 FCADMP CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001070598338 1219481793 /nfs/dbraw/zinc/48/17/93/1219481793.db2.gz ZSLKZXTVWKFKHL-FXUDXRNXSA-N 2 1 365.478 0.650 20 0 FCADMP CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001070598338 1219481797 /nfs/dbraw/zinc/48/17/97/1219481797.db2.gz ZSLKZXTVWKFKHL-FXUDXRNXSA-N 2 1 365.478 0.650 20 0 FCADMP CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001070598338 1219481799 /nfs/dbraw/zinc/48/17/99/1219481799.db2.gz ZSLKZXTVWKFKHL-FXUDXRNXSA-N 2 1 365.478 0.650 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC1CCC1 ZINC001070632059 1219496662 /nfs/dbraw/zinc/49/66/62/1219496662.db2.gz DFEGBXHIBDBRIH-NUJGCVRESA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC1CCC1 ZINC001070632059 1219496666 /nfs/dbraw/zinc/49/66/66/1219496666.db2.gz DFEGBXHIBDBRIH-NUJGCVRESA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCC1CC1 ZINC001070632408 1219497428 /nfs/dbraw/zinc/49/74/28/1219497428.db2.gz WZXHWULFUFIMOE-JFIYKMOQSA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCC1CC1 ZINC001070632408 1219497431 /nfs/dbraw/zinc/49/74/31/1219497431.db2.gz WZXHWULFUFIMOE-JFIYKMOQSA-N 2 1 361.490 0.435 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168384 1225897946 /nfs/dbraw/zinc/89/79/46/1225897946.db2.gz ZZXWJFZMFCRGKF-BRWVUGGUSA-N 2 1 368.522 0.591 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228168384 1225897947 /nfs/dbraw/zinc/89/79/47/1225897947.db2.gz ZZXWJFZMFCRGKF-BRWVUGGUSA-N 2 1 368.522 0.591 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070718613 1219540972 /nfs/dbraw/zinc/54/09/72/1219540972.db2.gz CEMWXBGPOQPDJC-BZUAXINKSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070718613 1219540974 /nfs/dbraw/zinc/54/09/74/1219540974.db2.gz CEMWXBGPOQPDJC-BZUAXINKSA-N 2 1 371.489 0.190 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917814 1219572247 /nfs/dbraw/zinc/57/22/47/1219572247.db2.gz KXPQXPFJEUCENH-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CC[C@H](C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)OC ZINC001070964264 1219584413 /nfs/dbraw/zinc/58/44/13/1219584413.db2.gz ADMJJIOMAFAIKG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)OC ZINC001070964264 1219584416 /nfs/dbraw/zinc/58/44/16/1219584416.db2.gz ADMJJIOMAFAIKG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)OC ZINC001070964264 1219584420 /nfs/dbraw/zinc/58/44/20/1219584420.db2.gz ADMJJIOMAFAIKG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)OC ZINC001070964264 1219584423 /nfs/dbraw/zinc/58/44/23/1219584423.db2.gz ADMJJIOMAFAIKG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071060051 1219597164 /nfs/dbraw/zinc/59/71/64/1219597164.db2.gz RCJRYFTWVSBLTA-RYRKJORJSA-N 2 1 366.506 0.332 20 0 FCADMP CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001071061318 1219597424 /nfs/dbraw/zinc/59/74/24/1219597424.db2.gz ZDJXTBCJMIMSJS-KURKYZTESA-N 2 1 363.506 0.819 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071086134 1219603066 /nfs/dbraw/zinc/60/30/66/1219603066.db2.gz QQZLHUZIZRQRGU-QAPCUYQASA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](O)Cn2cccn2)C3)CC[N@H+]1C ZINC001072752459 1219621744 /nfs/dbraw/zinc/62/17/44/1219621744.db2.gz LCKKNUDPEVPHDL-IXDOHACOSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@H](O)Cn2cccn2)C3)CC[NH+]1C ZINC001072752459 1219621748 /nfs/dbraw/zinc/62/17/48/1219621748.db2.gz LCKKNUDPEVPHDL-IXDOHACOSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@H](O)Cn2cccn2)C3)CC[NH+]1C ZINC001072752459 1219621751 /nfs/dbraw/zinc/62/17/51/1219621751.db2.gz LCKKNUDPEVPHDL-IXDOHACOSA-N 2 1 361.490 0.119 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(=O)NC2CC2)C3)CC[N@H+]1C ZINC001072754936 1219622017 /nfs/dbraw/zinc/62/20/17/1219622017.db2.gz LBLZJVPWABYTLX-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)C(=O)NC2CC2)C3)CC[NH+]1C ZINC001072754936 1219622019 /nfs/dbraw/zinc/62/20/19/1219622019.db2.gz LBLZJVPWABYTLX-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)NC2CC2)C3)CC[NH+]1C ZINC001072754936 1219622022 /nfs/dbraw/zinc/62/20/22/1219622022.db2.gz LBLZJVPWABYTLX-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCc2ccnn2C)C3)O1 ZINC001072849351 1219623405 /nfs/dbraw/zinc/62/34/05/1219623405.db2.gz BCJJHWZXYAZURS-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCc2ccnn2C)C3)O1 ZINC001072849351 1219623409 /nfs/dbraw/zinc/62/34/09/1219623409.db2.gz BCJJHWZXYAZURS-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCc2ccnn2C)C3)O1 ZINC001072849351 1219623412 /nfs/dbraw/zinc/62/34/12/1219623412.db2.gz BCJJHWZXYAZURS-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCc2ccnn2C)C3)O1 ZINC001072849351 1219623416 /nfs/dbraw/zinc/62/34/16/1219623416.db2.gz BCJJHWZXYAZURS-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOC3CCC3)CCCO2)O1 ZINC001073660982 1219676441 /nfs/dbraw/zinc/67/64/41/1219676441.db2.gz TUPDWACRQQYQLR-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOC3CCC3)CCCO2)O1 ZINC001073660982 1219676444 /nfs/dbraw/zinc/67/64/44/1219676444.db2.gz TUPDWACRQQYQLR-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCOC3CCC3)CCCO2)O1 ZINC001073660982 1219676445 /nfs/dbraw/zinc/67/64/45/1219676445.db2.gz TUPDWACRQQYQLR-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCOC3CCC3)CCCO2)O1 ZINC001073660982 1219676447 /nfs/dbraw/zinc/67/64/47/1219676447.db2.gz TUPDWACRQQYQLR-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074710905 1219717627 /nfs/dbraw/zinc/71/76/27/1219717627.db2.gz KQKSJLRQDUHJRD-OSRSDYAFSA-N 2 1 364.494 0.193 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074710905 1219717631 /nfs/dbraw/zinc/71/76/31/1219717631.db2.gz KQKSJLRQDUHJRD-OSRSDYAFSA-N 2 1 364.494 0.193 20 0 FCADMP COCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098674065 1219809542 /nfs/dbraw/zinc/80/95/42/1219809542.db2.gz YNNXATKMASCGEH-DJIMGWMZSA-N 2 1 364.494 0.518 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001098946303 1219871979 /nfs/dbraw/zinc/87/19/79/1219871979.db2.gz MGCHQQKBFMKQKW-VCBZYWHSSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001098946303 1219871984 /nfs/dbraw/zinc/87/19/84/1219871984.db2.gz MGCHQQKBFMKQKW-VCBZYWHSSA-N 2 1 359.474 0.829 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959211 1219874719 /nfs/dbraw/zinc/87/47/19/1219874719.db2.gz GNIJVTTXWORDRS-QRFRQXIXSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959211 1219874721 /nfs/dbraw/zinc/87/47/21/1219874721.db2.gz GNIJVTTXWORDRS-QRFRQXIXSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC001098996538 1219883926 /nfs/dbraw/zinc/88/39/26/1219883926.db2.gz PCUMXLCAFXACFY-BOSXTWCSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001098996538 1219883929 /nfs/dbraw/zinc/88/39/29/1219883929.db2.gz PCUMXLCAFXACFY-BOSXTWCSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001098996538 1219883931 /nfs/dbraw/zinc/88/39/31/1219883931.db2.gz PCUMXLCAFXACFY-BOSXTWCSSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122991 1219921841 /nfs/dbraw/zinc/92/18/41/1219921841.db2.gz OEFZFNODXRHAEU-KXBFYZLASA-N 2 1 358.490 0.865 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122991 1219921843 /nfs/dbraw/zinc/92/18/43/1219921843.db2.gz OEFZFNODXRHAEU-KXBFYZLASA-N 2 1 358.490 0.865 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001099162650 1219936811 /nfs/dbraw/zinc/93/68/11/1219936811.db2.gz OKKRRQNOFIDKBO-UWVAXJGDSA-N 2 1 362.518 0.969 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001099162650 1219936815 /nfs/dbraw/zinc/93/68/15/1219936815.db2.gz OKKRRQNOFIDKBO-UWVAXJGDSA-N 2 1 362.518 0.969 20 0 FCADMP Cn1cncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001099404070 1219983333 /nfs/dbraw/zinc/98/33/33/1219983333.db2.gz UQVWXCWHZJBBIH-WDYCEAGBSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1cncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001099404070 1219983344 /nfs/dbraw/zinc/98/33/44/1219983344.db2.gz UQVWXCWHZJBBIH-WDYCEAGBSA-N 2 1 361.490 0.469 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001099436787 1219995807 /nfs/dbraw/zinc/99/58/07/1219995807.db2.gz BJXNWQRRMUOWPK-OLMMMNRUSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001099436584 1219995911 /nfs/dbraw/zinc/99/59/11/1219995911.db2.gz VIJFBSKBCWIGCO-GFIVTLFCSA-N 2 1 360.506 0.874 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H](C2CC2)[NH+](C)C)C3)n1 ZINC001099446645 1219999963 /nfs/dbraw/zinc/99/99/63/1219999963.db2.gz RCVJKFBKWIEGFL-ZVZYQTTQSA-N 2 1 361.494 0.269 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228603971 1225935520 /nfs/dbraw/zinc/93/55/20/1225935520.db2.gz VPAXKONKTYKNDL-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099464641 1220005683 /nfs/dbraw/zinc/00/56/83/1220005683.db2.gz NTZUBBOVXATKPK-YOEHRIQHSA-N 2 1 358.450 0.134 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncn3C)C2)C1 ZINC001099500583 1220016013 /nfs/dbraw/zinc/01/60/13/1220016013.db2.gz WWJBHOULLWQCTC-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001099527369 1220024170 /nfs/dbraw/zinc/02/41/70/1220024170.db2.gz WHVHUUYZOHAMSQ-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2)[NH+](C)C ZINC001228647011 1225940170 /nfs/dbraw/zinc/94/01/70/1225940170.db2.gz NAOUKUWIUXOKKE-KFWWJZLASA-N 2 1 364.494 0.666 20 0 FCADMP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000752435533 1220075847 /nfs/dbraw/zinc/07/58/47/1220075847.db2.gz NPWAYSMEYARIOW-UHFFFAOYSA-N 2 1 359.474 0.589 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000752435533 1220075851 /nfs/dbraw/zinc/07/58/51/1220075851.db2.gz NPWAYSMEYARIOW-UHFFFAOYSA-N 2 1 359.474 0.589 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277507 1220263668 /nfs/dbraw/zinc/26/36/68/1220263668.db2.gz KUGRODJEICOCNL-LMMKCTJWSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279690 1220264369 /nfs/dbraw/zinc/26/43/69/1220264369.db2.gz VVPIQFPLGLBDQZ-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279690 1220264370 /nfs/dbraw/zinc/26/43/70/1220264370.db2.gz VVPIQFPLGLBDQZ-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279690 1220264375 /nfs/dbraw/zinc/26/43/75/1220264375.db2.gz VVPIQFPLGLBDQZ-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363648 1220302638 /nfs/dbraw/zinc/30/26/38/1220302638.db2.gz ZFULMDVTAWPRIN-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363648 1220302644 /nfs/dbraw/zinc/30/26/44/1220302644.db2.gz ZFULMDVTAWPRIN-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363648 1220302649 /nfs/dbraw/zinc/30/26/49/1220302649.db2.gz ZFULMDVTAWPRIN-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369689 1220305617 /nfs/dbraw/zinc/30/56/17/1220305617.db2.gz HXWAZNMGBPQREH-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378675 1220309399 /nfs/dbraw/zinc/30/93/99/1220309399.db2.gz AFASWWDJQSDGLI-MDZRGWNJSA-N 2 1 364.490 0.794 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378675 1220309404 /nfs/dbraw/zinc/30/94/04/1220309404.db2.gz AFASWWDJQSDGLI-MDZRGWNJSA-N 2 1 364.490 0.794 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001101413529 1220329988 /nfs/dbraw/zinc/32/99/88/1220329988.db2.gz QWICFAMMXOMCJD-GGPKGHCWSA-N 2 1 367.534 0.894 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432392 1220340939 /nfs/dbraw/zinc/34/09/39/1220340939.db2.gz PZGFCNIXUKJVNH-KHYOSLBOSA-N 2 1 366.506 0.012 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101432498 1220341324 /nfs/dbraw/zinc/34/13/24/1220341324.db2.gz UGIKGXATRMSMBE-BEFAXECRSA-N 2 1 362.474 0.550 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101432498 1220341331 /nfs/dbraw/zinc/34/13/31/1220341331.db2.gz UGIKGXATRMSMBE-BEFAXECRSA-N 2 1 362.474 0.550 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432158 1220341414 /nfs/dbraw/zinc/34/14/14/1220341414.db2.gz DURUHNBXGFUXOP-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)ncn1 ZINC001101432511 1220341852 /nfs/dbraw/zinc/34/18/52/1220341852.db2.gz UNICTGXXHODEJB-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001101474234 1220366655 /nfs/dbraw/zinc/36/66/55/1220366655.db2.gz OLALVHWIXWLRLB-MJGOQNOKSA-N 2 1 360.506 0.934 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013330 1220461546 /nfs/dbraw/zinc/46/15/46/1220461546.db2.gz VRUVYNCBIBZORA-ZACQAIPSSA-N 2 1 370.513 0.973 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012903 1220461986 /nfs/dbraw/zinc/46/19/86/1220461986.db2.gz ANJBRLYLWSBDFN-ZACQAIPSSA-N 2 1 370.513 0.973 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020952 1220466620 /nfs/dbraw/zinc/46/66/20/1220466620.db2.gz FUWGMHVOKVIANJ-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020952 1220466622 /nfs/dbraw/zinc/46/66/22/1220466622.db2.gz FUWGMHVOKVIANJ-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020952 1220466624 /nfs/dbraw/zinc/46/66/24/1220466624.db2.gz FUWGMHVOKVIANJ-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP COCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044824 1220476189 /nfs/dbraw/zinc/47/61/89/1220476189.db2.gz GZPKFCZODQYLEH-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044824 1220476191 /nfs/dbraw/zinc/47/61/91/1220476191.db2.gz GZPKFCZODQYLEH-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047528 1220477239 /nfs/dbraw/zinc/47/72/39/1220477239.db2.gz KJYFSHPPEBTBSL-BJZITVGISA-N 2 1 364.534 0.879 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051879 1220479488 /nfs/dbraw/zinc/47/94/88/1220479488.db2.gz RIDNSGRAMPOPJX-NUJGCVRESA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051879 1220479493 /nfs/dbraw/zinc/47/94/93/1220479493.db2.gz RIDNSGRAMPOPJX-NUJGCVRESA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051879 1220479495 /nfs/dbraw/zinc/47/94/95/1220479495.db2.gz RIDNSGRAMPOPJX-NUJGCVRESA-N 2 1 371.522 0.179 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102086083 1220491012 /nfs/dbraw/zinc/49/10/12/1220491012.db2.gz PFQJPLFPJSJNFX-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102157128 1220528177 /nfs/dbraw/zinc/52/81/77/1220528177.db2.gz ATAMVACZBKMHGY-UKRRQHHQSA-N 2 1 361.446 0.025 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102157128 1220528182 /nfs/dbraw/zinc/52/81/82/1220528182.db2.gz ATAMVACZBKMHGY-UKRRQHHQSA-N 2 1 361.446 0.025 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1 ZINC001102287086 1220573942 /nfs/dbraw/zinc/57/39/42/1220573942.db2.gz LVISLIKGBWIUCK-ZIAGYGMSSA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1 ZINC001102287086 1220573950 /nfs/dbraw/zinc/57/39/50/1220573950.db2.gz LVISLIKGBWIUCK-ZIAGYGMSSA-N 2 1 365.478 0.742 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312876 1220582393 /nfs/dbraw/zinc/58/23/93/1220582393.db2.gz RXCZGUNVEVPUPC-CRAIPNDOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)C1CC1 ZINC001102312855 1220582597 /nfs/dbraw/zinc/58/25/97/1220582597.db2.gz REBSVBPJMZZWRE-RVKKMQEKSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373212 1220598161 /nfs/dbraw/zinc/59/81/61/1220598161.db2.gz YUJNZMSOXSCQMG-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373212 1220598170 /nfs/dbraw/zinc/59/81/70/1220598170.db2.gz YUJNZMSOXSCQMG-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373212 1220598181 /nfs/dbraw/zinc/59/81/81/1220598181.db2.gz YUJNZMSOXSCQMG-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102373719 1220598281 /nfs/dbraw/zinc/59/82/81/1220598281.db2.gz JKLNRJCYFLZMOI-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102373719 1220598286 /nfs/dbraw/zinc/59/82/86/1220598286.db2.gz JKLNRJCYFLZMOI-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102373719 1220598292 /nfs/dbraw/zinc/59/82/92/1220598292.db2.gz JKLNRJCYFLZMOI-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375408 1220598988 /nfs/dbraw/zinc/59/89/88/1220598988.db2.gz HREWJEDDRYAYAN-QLFBSQMISA-N 2 1 365.526 0.933 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375408 1220598994 /nfs/dbraw/zinc/59/89/94/1220598994.db2.gz HREWJEDDRYAYAN-QLFBSQMISA-N 2 1 365.526 0.933 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375408 1220599004 /nfs/dbraw/zinc/59/90/04/1220599004.db2.gz HREWJEDDRYAYAN-QLFBSQMISA-N 2 1 365.526 0.933 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375408 1220599010 /nfs/dbraw/zinc/59/90/10/1220599010.db2.gz HREWJEDDRYAYAN-QLFBSQMISA-N 2 1 365.526 0.933 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001102373083 1220599105 /nfs/dbraw/zinc/59/91/05/1220599105.db2.gz ULYLTCRDJVGHIS-SPYBWZPUSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373083 1220599110 /nfs/dbraw/zinc/59/91/10/1220599110.db2.gz ULYLTCRDJVGHIS-SPYBWZPUSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373083 1220599116 /nfs/dbraw/zinc/59/91/16/1220599116.db2.gz ULYLTCRDJVGHIS-SPYBWZPUSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H](COCC(=O)NC[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C)[NH+]1CCCC1 ZINC001102384801 1220604223 /nfs/dbraw/zinc/60/42/23/1220604223.db2.gz CCMWGBYBGKCRQI-OWCLPIDISA-N 2 1 365.478 0.755 20 0 FCADMP C[C@@H](COCC(=O)NC[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C)[NH+]1CCCC1 ZINC001102384801 1220604226 /nfs/dbraw/zinc/60/42/26/1220604226.db2.gz CCMWGBYBGKCRQI-OWCLPIDISA-N 2 1 365.478 0.755 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102419633 1220616604 /nfs/dbraw/zinc/61/66/04/1220616604.db2.gz NXKDWPFZAGJUPJ-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102419633 1220616612 /nfs/dbraw/zinc/61/66/12/1220616612.db2.gz NXKDWPFZAGJUPJ-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473525 1220643603 /nfs/dbraw/zinc/64/36/03/1220643603.db2.gz DIPXOYXWZHECEQ-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102473518 1220643794 /nfs/dbraw/zinc/64/37/94/1220643794.db2.gz CXWUEXMNMNMGAW-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102473518 1220643797 /nfs/dbraw/zinc/64/37/97/1220643797.db2.gz CXWUEXMNMNMGAW-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479934 1220647754 /nfs/dbraw/zinc/64/77/54/1220647754.db2.gz OMPCFZQDWDXBAS-IAGOWNOFSA-N 2 1 365.522 0.428 20 0 FCADMP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC001102488987 1220652461 /nfs/dbraw/zinc/65/24/61/1220652461.db2.gz PGBTUEHCBVAVDI-UKRRQHHQSA-N 2 1 365.478 0.673 20 0 FCADMP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC001102488987 1220652463 /nfs/dbraw/zinc/65/24/63/1220652463.db2.gz PGBTUEHCBVAVDI-UKRRQHHQSA-N 2 1 365.478 0.673 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102506778 1220667132 /nfs/dbraw/zinc/66/71/32/1220667132.db2.gz CAHKGAYATPCTMI-QINHECLXSA-N 2 1 360.502 0.894 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513804 1220672243 /nfs/dbraw/zinc/67/22/43/1220672243.db2.gz BRMPNNZPRULIAD-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513769 1220672772 /nfs/dbraw/zinc/67/27/72/1220672772.db2.gz AJOZXCFPWDQBQE-BPQIPLTHSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513769 1220672777 /nfs/dbraw/zinc/67/27/77/1220672777.db2.gz AJOZXCFPWDQBQE-BPQIPLTHSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513769 1220672779 /nfs/dbraw/zinc/67/27/79/1220672779.db2.gz AJOZXCFPWDQBQE-BPQIPLTHSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102513905 1220673747 /nfs/dbraw/zinc/67/37/47/1220673747.db2.gz GCSURTQPUOZFAC-HZPDHXFCSA-N 2 1 364.534 0.929 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514395 1220673754 /nfs/dbraw/zinc/67/37/54/1220673754.db2.gz WAULKSZTTHGKIS-IXDOHACOSA-N 2 1 370.538 0.504 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514469 1220673791 /nfs/dbraw/zinc/67/37/91/1220673791.db2.gz YGFXELUAIYCMMR-BRWVUGGUSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579868 1220701403 /nfs/dbraw/zinc/70/14/03/1220701403.db2.gz UUUJUAWAWRFYSZ-RBSFLKMASA-N 2 1 361.494 0.849 20 0 FCADMP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579868 1220701406 /nfs/dbraw/zinc/70/14/06/1220701406.db2.gz UUUJUAWAWRFYSZ-RBSFLKMASA-N 2 1 361.494 0.849 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579108 1220701610 /nfs/dbraw/zinc/70/16/10/1220701610.db2.gz IIXPVXQWAIWORH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579107 1220701818 /nfs/dbraw/zinc/70/18/18/1220701818.db2.gz IIXPVXQWAIWORH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581007 1220703787 /nfs/dbraw/zinc/70/37/87/1220703787.db2.gz VJESHOJACLQCSG-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596626 1220717698 /nfs/dbraw/zinc/71/76/98/1220717698.db2.gz PWRRFPKHPMLBIA-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598891 1220721734 /nfs/dbraw/zinc/72/17/34/1220721734.db2.gz FKFBBKYPXKWMRN-OWCLPIDISA-N 2 1 363.510 0.831 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598891 1220721740 /nfs/dbraw/zinc/72/17/40/1220721740.db2.gz FKFBBKYPXKWMRN-OWCLPIDISA-N 2 1 363.510 0.831 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781841 1220782853 /nfs/dbraw/zinc/78/28/53/1220782853.db2.gz CPOJVMQDVXWCCN-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781841 1220782861 /nfs/dbraw/zinc/78/28/61/1220782861.db2.gz CPOJVMQDVXWCCN-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102781841 1220782877 /nfs/dbraw/zinc/78/28/77/1220782877.db2.gz CPOJVMQDVXWCCN-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102781841 1220782885 /nfs/dbraw/zinc/78/28/85/1220782885.db2.gz CPOJVMQDVXWCCN-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994378 1220817364 /nfs/dbraw/zinc/81/73/64/1220817364.db2.gz ZJPHRIYRPXYKEZ-NXHRZFHOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001103086659 1220831251 /nfs/dbraw/zinc/83/12/51/1220831251.db2.gz MIKRLPAZGDCPSG-OAGGEKHMSA-N 2 1 361.490 0.923 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001103086659 1220831253 /nfs/dbraw/zinc/83/12/53/1220831253.db2.gz MIKRLPAZGDCPSG-OAGGEKHMSA-N 2 1 361.490 0.923 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136561 1220838803 /nfs/dbraw/zinc/83/88/03/1220838803.db2.gz IXENEYZISGSDDL-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136561 1220838806 /nfs/dbraw/zinc/83/88/06/1220838806.db2.gz IXENEYZISGSDDL-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136561 1220838808 /nfs/dbraw/zinc/83/88/08/1220838808.db2.gz IXENEYZISGSDDL-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136561 1220838810 /nfs/dbraw/zinc/83/88/10/1220838810.db2.gz IXENEYZISGSDDL-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136504 1220839064 /nfs/dbraw/zinc/83/90/64/1220839064.db2.gz GORCOCUBGYZSQK-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136504 1220839065 /nfs/dbraw/zinc/83/90/65/1220839065.db2.gz GORCOCUBGYZSQK-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2nccn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136504 1220839069 /nfs/dbraw/zinc/83/90/69/1220839069.db2.gz GORCOCUBGYZSQK-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2nccn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136504 1220839070 /nfs/dbraw/zinc/83/90/70/1220839070.db2.gz GORCOCUBGYZSQK-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001103171375 1220843925 /nfs/dbraw/zinc/84/39/25/1220843925.db2.gz YTPVQRZLLAKZCU-HUUCEWRRSA-N 2 1 368.478 0.433 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001103171375 1220843929 /nfs/dbraw/zinc/84/39/29/1220843929.db2.gz YTPVQRZLLAKZCU-HUUCEWRRSA-N 2 1 368.478 0.433 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398411 1220877441 /nfs/dbraw/zinc/87/74/41/1220877441.db2.gz RHIDIDGTAWADPI-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438582 1220882711 /nfs/dbraw/zinc/88/27/11/1220882711.db2.gz RAHHXZKUBSEVDX-ZIAGYGMSSA-N 2 1 369.510 0.233 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001103438582 1220882712 /nfs/dbraw/zinc/88/27/12/1220882712.db2.gz RAHHXZKUBSEVDX-ZIAGYGMSSA-N 2 1 369.510 0.233 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001103438582 1220882713 /nfs/dbraw/zinc/88/27/13/1220882713.db2.gz RAHHXZKUBSEVDX-ZIAGYGMSSA-N 2 1 369.510 0.233 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536766 1220897247 /nfs/dbraw/zinc/89/72/47/1220897247.db2.gz BMVVXIXMTCSZRZ-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536766 1220897248 /nfs/dbraw/zinc/89/72/48/1220897248.db2.gz BMVVXIXMTCSZRZ-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103550357 1220899818 /nfs/dbraw/zinc/89/98/18/1220899818.db2.gz LWZLXIDSKHXLGG-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583266 1220907571 /nfs/dbraw/zinc/90/75/71/1220907571.db2.gz OKURDQBNDMGVDT-RBSFLKMASA-N 2 1 370.457 0.829 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583266 1220907575 /nfs/dbraw/zinc/90/75/75/1220907575.db2.gz OKURDQBNDMGVDT-RBSFLKMASA-N 2 1 370.457 0.829 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584267 1220908740 /nfs/dbraw/zinc/90/87/40/1220908740.db2.gz KLFGSNPRXXIFST-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103612626 1220913276 /nfs/dbraw/zinc/91/32/76/1220913276.db2.gz MLRLFBKIVPLIBR-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103612626 1220913281 /nfs/dbraw/zinc/91/32/81/1220913281.db2.gz MLRLFBKIVPLIBR-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103612626 1220913284 /nfs/dbraw/zinc/91/32/84/1220913284.db2.gz MLRLFBKIVPLIBR-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103614506 1220913832 /nfs/dbraw/zinc/91/38/32/1220913832.db2.gz QIBVGHIPHQTAKM-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103614506 1220913840 /nfs/dbraw/zinc/91/38/40/1220913840.db2.gz QIBVGHIPHQTAKM-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103614506 1220913843 /nfs/dbraw/zinc/91/38/43/1220913843.db2.gz QIBVGHIPHQTAKM-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103614506 1220913849 /nfs/dbraw/zinc/91/38/49/1220913849.db2.gz QIBVGHIPHQTAKM-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643967 1220925656 /nfs/dbraw/zinc/92/56/56/1220925656.db2.gz ZQDJCNIXDBMMHM-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP Cc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001103642974 1220925781 /nfs/dbraw/zinc/92/57/81/1220925781.db2.gz CEMTVNMAZTYOFD-IJEWVQPXSA-N 2 1 366.510 0.827 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721548 1220951940 /nfs/dbraw/zinc/95/19/40/1220951940.db2.gz XLDLNLIFYNXWBL-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721548 1220951943 /nfs/dbraw/zinc/95/19/43/1220951943.db2.gz XLDLNLIFYNXWBL-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721548 1220951948 /nfs/dbraw/zinc/95/19/48/1220951948.db2.gz XLDLNLIFYNXWBL-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719264 1220952660 /nfs/dbraw/zinc/95/26/60/1220952660.db2.gz WYZASQUFAZAGNA-OAGGEKHMSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719264 1220952666 /nfs/dbraw/zinc/95/26/66/1220952666.db2.gz WYZASQUFAZAGNA-OAGGEKHMSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719264 1220952680 /nfs/dbraw/zinc/95/26/80/1220952680.db2.gz WYZASQUFAZAGNA-OAGGEKHMSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719264 1220952689 /nfs/dbraw/zinc/95/26/89/1220952689.db2.gz WYZASQUFAZAGNA-OAGGEKHMSA-N 2 1 366.485 0.774 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742649 1220959723 /nfs/dbraw/zinc/95/97/23/1220959723.db2.gz PRSHFMKAPBARFI-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742649 1220959741 /nfs/dbraw/zinc/95/97/41/1220959741.db2.gz PRSHFMKAPBARFI-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742649 1220959757 /nfs/dbraw/zinc/95/97/57/1220959757.db2.gz PRSHFMKAPBARFI-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742649 1220959759 /nfs/dbraw/zinc/95/97/59/1220959759.db2.gz PRSHFMKAPBARFI-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104034094 1221001306 /nfs/dbraw/zinc/00/13/06/1221001306.db2.gz SDKIVGYCOLQCCS-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104034094 1221001310 /nfs/dbraw/zinc/00/13/10/1221001310.db2.gz SDKIVGYCOLQCCS-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CNC(=O)O4)CC3)C2)CC1 ZINC000780465055 1221025890 /nfs/dbraw/zinc/02/58/90/1221025890.db2.gz HGNBIXYSOXHJBM-AWEZNQCLSA-N 2 1 365.478 0.439 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC4(CNC(=O)O4)CC3)C2)CC1 ZINC000780465055 1221025894 /nfs/dbraw/zinc/02/58/94/1221025894.db2.gz HGNBIXYSOXHJBM-AWEZNQCLSA-N 2 1 365.478 0.439 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658615 1221055443 /nfs/dbraw/zinc/05/54/43/1221055443.db2.gz HXLRQVHGWIFNKP-SCTDSRPQSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658615 1221055445 /nfs/dbraw/zinc/05/54/45/1221055445.db2.gz HXLRQVHGWIFNKP-SCTDSRPQSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658615 1221055447 /nfs/dbraw/zinc/05/54/47/1221055447.db2.gz HXLRQVHGWIFNKP-SCTDSRPQSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658615 1221055451 /nfs/dbraw/zinc/05/54/51/1221055451.db2.gz HXLRQVHGWIFNKP-SCTDSRPQSA-N 2 1 366.506 0.204 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111740928 1221084438 /nfs/dbraw/zinc/08/44/38/1221084438.db2.gz UPMBGFXAGUOPKI-DEYYWGMASA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111740928 1221084442 /nfs/dbraw/zinc/08/44/42/1221084442.db2.gz UPMBGFXAGUOPKI-DEYYWGMASA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111740928 1221084445 /nfs/dbraw/zinc/08/44/45/1221084445.db2.gz UPMBGFXAGUOPKI-DEYYWGMASA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111740928 1221084449 /nfs/dbraw/zinc/08/44/49/1221084449.db2.gz UPMBGFXAGUOPKI-DEYYWGMASA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111740929 1221085255 /nfs/dbraw/zinc/08/52/55/1221085255.db2.gz UPMBGFXAGUOPKI-IYOUNJFTSA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111740929 1221085256 /nfs/dbraw/zinc/08/52/56/1221085256.db2.gz UPMBGFXAGUOPKI-IYOUNJFTSA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111740929 1221085261 /nfs/dbraw/zinc/08/52/61/1221085261.db2.gz UPMBGFXAGUOPKI-IYOUNJFTSA-N 2 1 365.478 0.025 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111740929 1221085265 /nfs/dbraw/zinc/08/52/65/1221085265.db2.gz UPMBGFXAGUOPKI-IYOUNJFTSA-N 2 1 365.478 0.025 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751082 1221089380 /nfs/dbraw/zinc/08/93/80/1221089380.db2.gz JMUWALIDCZINRP-QKLQHJQFSA-N 2 1 362.518 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751082 1221089383 /nfs/dbraw/zinc/08/93/83/1221089383.db2.gz JMUWALIDCZINRP-QKLQHJQFSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NCC2CC2)C3)CC[N@H+]1C ZINC001111753215 1221089879 /nfs/dbraw/zinc/08/98/79/1221089879.db2.gz JKIRDBFDTNIDIS-ASKNOMKYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)CC[N@@H+]1C ZINC001111753215 1221089881 /nfs/dbraw/zinc/08/98/81/1221089881.db2.gz JKIRDBFDTNIDIS-ASKNOMKYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)CC[N@H+]1C ZINC001111753215 1221089887 /nfs/dbraw/zinc/08/98/87/1221089887.db2.gz JKIRDBFDTNIDIS-ASKNOMKYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)CC[NH+]1C ZINC001111753215 1221089892 /nfs/dbraw/zinc/08/98/92/1221089892.db2.gz JKIRDBFDTNIDIS-ASKNOMKYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)CC[NH+]1C ZINC001111753215 1221089896 /nfs/dbraw/zinc/08/98/96/1221089896.db2.gz JKIRDBFDTNIDIS-ASKNOMKYSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229524040 1226016036 /nfs/dbraw/zinc/01/60/36/1226016036.db2.gz MZRMKZHIACDNFR-GVDBMIGSSA-N 2 1 368.522 0.329 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)c1ccn2c[nH+]cc2c1 ZINC001111800081 1221116239 /nfs/dbraw/zinc/11/62/39/1221116239.db2.gz ZOKHARZMQLQQBO-LPHOPBHVSA-N 2 1 358.442 0.928 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111938130 1221179059 /nfs/dbraw/zinc/17/90/59/1221179059.db2.gz MKAIGUMKTJASBW-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001111983846 1221193568 /nfs/dbraw/zinc/19/35/68/1221193568.db2.gz SGDVXBNJEGIJJT-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001111983846 1221193571 /nfs/dbraw/zinc/19/35/71/1221193571.db2.gz SGDVXBNJEGIJJT-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001111983846 1221193576 /nfs/dbraw/zinc/19/35/76/1221193576.db2.gz SGDVXBNJEGIJJT-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001112359612 1221245795 /nfs/dbraw/zinc/24/57/95/1221245795.db2.gz ARCCRJAQLHDKJA-MJEZEWASSA-N 2 1 362.518 0.824 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001229683348 1226027681 /nfs/dbraw/zinc/02/76/81/1226027681.db2.gz SGWSBHJACFEQBV-RRFJBIMHSA-N 2 1 363.462 0.972 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001116075518 1221333849 /nfs/dbraw/zinc/33/38/49/1221333849.db2.gz AUOHCHUKNIQFLL-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001116090055 1221335227 /nfs/dbraw/zinc/33/52/27/1221335227.db2.gz ICAGKTWJMSVCER-UHFFFAOYSA-N 2 1 373.501 0.896 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC001116966011 1221411708 /nfs/dbraw/zinc/41/17/08/1221411708.db2.gz URSHIGXMKJAXMD-INIZCTEOSA-N 2 1 370.457 0.602 20 0 FCADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147893 1226057833 /nfs/dbraw/zinc/05/78/33/1226057833.db2.gz VXBNLMHFRAUMDW-GVDBMIGSSA-N 2 1 368.478 0.232 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001118026732 1221689891 /nfs/dbraw/zinc/68/98/91/1221689891.db2.gz IRVKNSVCVOKFIO-UHFFFAOYSA-N 2 1 363.506 0.469 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)c1 ZINC001118268344 1221747730 /nfs/dbraw/zinc/74/77/30/1221747730.db2.gz NHOWEBFLISZLBQ-JXFKEZNVSA-N 2 1 371.485 0.626 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001119296126 1221898208 /nfs/dbraw/zinc/89/82/08/1221898208.db2.gz MLVDNFOAQBVKBV-QUCCMNQESA-N 2 1 360.502 0.817 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC001119355160 1221904714 /nfs/dbraw/zinc/90/47/14/1221904714.db2.gz QIZFWZJFXNUFLC-KRWDZBQOSA-N 2 1 360.458 0.379 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC001119355160 1221904716 /nfs/dbraw/zinc/90/47/16/1221904716.db2.gz QIZFWZJFXNUFLC-KRWDZBQOSA-N 2 1 360.458 0.379 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119363548 1221906696 /nfs/dbraw/zinc/90/66/96/1221906696.db2.gz ZXNRDCZUJGQXFW-NZSAHSFTSA-N 2 1 372.513 0.939 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119363549 1221906964 /nfs/dbraw/zinc/90/69/64/1221906964.db2.gz ZXNRDCZUJGQXFW-YTQUADARSA-N 2 1 372.513 0.939 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119409699 1221913429 /nfs/dbraw/zinc/91/34/29/1221913429.db2.gz MDYAFBYAZMVPAM-ACHSLPGTSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120604906 1222108473 /nfs/dbraw/zinc/10/84/73/1222108473.db2.gz YDPQPBIQFLSWKY-OKZBNKHCSA-N 2 1 372.517 0.843 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC001121898329 1222220675 /nfs/dbraw/zinc/22/06/75/1222220675.db2.gz WZJHNZGSBKFATQ-KDOFPFPSSA-N 2 1 372.469 0.922 20 0 FCADMP C[N@@H+](CCOc1cccc(CNC(=O)C[C@@H](O)C[NH3+])c1)C1CCOCC1 ZINC001121916730 1222223473 /nfs/dbraw/zinc/22/34/73/1222223473.db2.gz IHTRAKITBRDGDO-QGZVFWFLSA-N 2 1 365.474 0.502 20 0 FCADMP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001122358950 1222267070 /nfs/dbraw/zinc/26/70/70/1222267070.db2.gz YOHGOKNINHXRPB-INIZCTEOSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001122358950 1222267075 /nfs/dbraw/zinc/26/70/75/1222267075.db2.gz YOHGOKNINHXRPB-INIZCTEOSA-N 2 1 364.494 0.255 20 0 FCADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001123696009 1222351428 /nfs/dbraw/zinc/35/14/28/1222351428.db2.gz YYZQKDCRTGEDDT-RYRKJORJSA-N 2 1 360.506 0.936 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C[C@H]2C1 ZINC001161175941 1222398614 /nfs/dbraw/zinc/39/86/14/1222398614.db2.gz PXRSHMMXNTVYPY-KSZLIROESA-N 2 1 358.486 0.473 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc4ccncc4[nH]3)C2)OCC1=O ZINC001277578191 1226133277 /nfs/dbraw/zinc/13/32/77/1226133277.db2.gz ADFGUOLVIOWTAQ-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598650 1222582112 /nfs/dbraw/zinc/58/21/12/1222582112.db2.gz FMJRLKNRKDWEBS-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598650 1222582117 /nfs/dbraw/zinc/58/21/17/1222582117.db2.gz FMJRLKNRKDWEBS-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598650 1222582118 /nfs/dbraw/zinc/58/21/18/1222582118.db2.gz FMJRLKNRKDWEBS-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598650 1222582124 /nfs/dbraw/zinc/58/21/24/1222582124.db2.gz FMJRLKNRKDWEBS-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755927 1222587236 /nfs/dbraw/zinc/58/72/36/1222587236.db2.gz UBILMNCGGMOOOY-TWMKSMIVSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755927 1222587238 /nfs/dbraw/zinc/58/72/38/1222587238.db2.gz UBILMNCGGMOOOY-TWMKSMIVSA-N 2 1 368.522 0.543 20 0 FCADMP Cc1ncc(CO)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC001140868577 1222618586 /nfs/dbraw/zinc/61/85/86/1222618586.db2.gz ANANHRWBJXNXIF-UHFFFAOYSA-N 2 1 362.474 0.574 20 0 FCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302257 1222676912 /nfs/dbraw/zinc/67/69/12/1222676912.db2.gz OKINPPJLVGADEY-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302257 1222676915 /nfs/dbraw/zinc/67/69/15/1222676915.db2.gz OKINPPJLVGADEY-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302257 1222676919 /nfs/dbraw/zinc/67/69/19/1222676919.db2.gz OKINPPJLVGADEY-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP O=C1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738798 1222801606 /nfs/dbraw/zinc/80/16/06/1222801606.db2.gz IUHBIFZVUPNOGH-FGTMMUONSA-N 2 1 357.454 0.560 20 0 FCADMP O=C1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738798 1222801610 /nfs/dbraw/zinc/80/16/10/1222801610.db2.gz IUHBIFZVUPNOGH-FGTMMUONSA-N 2 1 357.454 0.560 20 0 FCADMP O=C1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738798 1222801611 /nfs/dbraw/zinc/80/16/11/1222801611.db2.gz IUHBIFZVUPNOGH-FGTMMUONSA-N 2 1 357.454 0.560 20 0 FCADMP O=C1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738798 1222801612 /nfs/dbraw/zinc/80/16/12/1222801612.db2.gz IUHBIFZVUPNOGH-FGTMMUONSA-N 2 1 357.454 0.560 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000842034932 1222833510 /nfs/dbraw/zinc/83/35/10/1222833510.db2.gz FDTXUPITUSARSC-MRXNPFEDSA-N 2 1 370.457 0.826 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000842081739 1222834859 /nfs/dbraw/zinc/83/48/59/1222834859.db2.gz WZYHTTDQARTOHQ-FXQLRMTLSA-N 2 1 368.522 0.719 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000842190601 1222839746 /nfs/dbraw/zinc/83/97/46/1222839746.db2.gz UYIPRHRKQGXPBS-WRWLIDTKSA-N 2 1 358.486 0.820 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1)N1CC[NH2+]CC1 ZINC000843047311 1222857359 /nfs/dbraw/zinc/85/73/59/1222857359.db2.gz QNQCZXTUCDYJMU-KRWDZBQOSA-N 2 1 354.458 0.911 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248046 1222863069 /nfs/dbraw/zinc/86/30/69/1222863069.db2.gz INNHRICBWMDCAM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248046 1222863073 /nfs/dbraw/zinc/86/30/73/1222863073.db2.gz INNHRICBWMDCAM-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346687 1222871076 /nfs/dbraw/zinc/87/10/76/1222871076.db2.gz GTDCQBOHIQTNSW-RYUDHWBXSA-N 2 1 374.445 0.382 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCC([NH3+])CC1 ZINC000843355186 1222872792 /nfs/dbraw/zinc/87/27/92/1222872792.db2.gz UVPLEVFKDDTZRA-JCYILVPMSA-N 2 1 366.506 0.428 20 0 FCADMP [NH3+][C@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000843486339 1222878962 /nfs/dbraw/zinc/87/89/62/1222878962.db2.gz GMXVYCDTHVUJBA-QGZVFWFLSA-N 2 1 366.506 0.191 20 0 FCADMP [NH3+][C@@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000843486337 1222879046 /nfs/dbraw/zinc/87/90/46/1222879046.db2.gz GMXVYCDTHVUJBA-KRWDZBQOSA-N 2 1 366.506 0.191 20 0 FCADMP Cc1nc(N)ccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277696492 1226160621 /nfs/dbraw/zinc/16/06/21/1226160621.db2.gz WIHCDTXVUCWGBC-LJQANCHMSA-N 2 1 361.490 0.585 20 0 FCADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150396381 1222900956 /nfs/dbraw/zinc/90/09/56/1222900956.db2.gz GHOWGXPFDLWFDI-UKRRQHHQSA-N 2 1 359.478 0.328 20 0 FCADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150396381 1222900958 /nfs/dbraw/zinc/90/09/58/1222900958.db2.gz GHOWGXPFDLWFDI-UKRRQHHQSA-N 2 1 359.478 0.328 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]([C@@H](C)COC)CC1 ZINC001151175006 1222918622 /nfs/dbraw/zinc/91/86/22/1222918622.db2.gz SXMWWKUVYIZMNE-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]([C@@H](C)COC)CC1 ZINC001151175006 1222918627 /nfs/dbraw/zinc/91/86/27/1222918627.db2.gz SXMWWKUVYIZMNE-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001153501709 1222978827 /nfs/dbraw/zinc/97/88/27/1222978827.db2.gz RYEGQIMNVDCOFK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001153501709 1222978834 /nfs/dbraw/zinc/97/88/34/1222978834.db2.gz RYEGQIMNVDCOFK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001153501709 1222978840 /nfs/dbraw/zinc/97/88/40/1222978840.db2.gz RYEGQIMNVDCOFK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001153501709 1222978850 /nfs/dbraw/zinc/97/88/50/1222978850.db2.gz RYEGQIMNVDCOFK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C)C(=O)CN1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001154931497 1223020951 /nfs/dbraw/zinc/02/09/51/1223020951.db2.gz PBDMRDZEWLXDQG-UHFFFAOYSA-N 2 1 356.430 0.503 20 0 FCADMP CCOC(=O)N1CCc2nnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)cc2C1 ZINC001155382311 1223034330 /nfs/dbraw/zinc/03/43/30/1223034330.db2.gz LCKHEHRMJGQSQP-MRXNPFEDSA-N 2 1 374.489 0.851 20 0 FCADMP C1CCN(c2nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c(N3CCCC3)n2)C1 ZINC001155627410 1223040346 /nfs/dbraw/zinc/04/03/46/1223040346.db2.gz ZWARILSJYGMFKW-BEFAXECRSA-N 2 1 373.505 0.817 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071047 1223088075 /nfs/dbraw/zinc/08/80/75/1223088075.db2.gz SMBRUCKYWXZOTK-IBGZPJMESA-N 2 1 372.513 0.832 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071047 1223088079 /nfs/dbraw/zinc/08/80/79/1223088079.db2.gz SMBRUCKYWXZOTK-IBGZPJMESA-N 2 1 372.513 0.832 20 0 FCADMP COCCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124133 1223089621 /nfs/dbraw/zinc/08/96/21/1223089621.db2.gz IBPIAUWLNWZBKW-KZNAEPCWSA-N 2 1 371.522 0.681 20 0 FCADMP COCCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124133 1223089624 /nfs/dbraw/zinc/08/96/24/1223089624.db2.gz IBPIAUWLNWZBKW-KZNAEPCWSA-N 2 1 371.522 0.681 20 0 FCADMP COCCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124133 1223089627 /nfs/dbraw/zinc/08/96/27/1223089627.db2.gz IBPIAUWLNWZBKW-KZNAEPCWSA-N 2 1 371.522 0.681 20 0 FCADMP COCCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124133 1223089629 /nfs/dbraw/zinc/08/96/29/1223089629.db2.gz IBPIAUWLNWZBKW-KZNAEPCWSA-N 2 1 371.522 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCCc2ccccc2)CC[N@H+]1C ZINC001158380116 1223096053 /nfs/dbraw/zinc/09/60/53/1223096053.db2.gz NBPHTTUTHUBMFB-SJLPKXTDSA-N 2 1 360.502 0.781 20 0 FCADMP CCCn1nccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158381144 1223096106 /nfs/dbraw/zinc/09/61/06/1223096106.db2.gz YOBVWBHWJCADGF-HUUCEWRRSA-N 2 1 364.494 0.668 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCc2ccco2)CC[N@H+]1C ZINC001158411266 1223096680 /nfs/dbraw/zinc/09/66/80/1223096680.db2.gz BKZQYCNAUHBSQE-BPQIPLTHSA-N 2 1 367.490 0.983 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533302 1223101816 /nfs/dbraw/zinc/10/18/16/1223101816.db2.gz JZHLWNNNGRVSPZ-YNVMFWSZSA-N 3 1 362.518 0.430 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158659579 1223104046 /nfs/dbraw/zinc/10/40/46/1223104046.db2.gz PGNNTGFWIAHELM-AWEZNQCLSA-N 2 1 373.461 0.361 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001159119490 1223117790 /nfs/dbraw/zinc/11/77/90/1223117790.db2.gz NHBOAHAXYURIJR-UHFFFAOYSA-N 2 1 366.550 0.853 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)C2)C1 ZINC001159125327 1223117819 /nfs/dbraw/zinc/11/78/19/1223117819.db2.gz URTGZSTVIICKDV-GPMSIDNRSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)C2)C1 ZINC001159125327 1223117821 /nfs/dbraw/zinc/11/78/21/1223117821.db2.gz URTGZSTVIICKDV-GPMSIDNRSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159349382 1223125212 /nfs/dbraw/zinc/12/52/12/1223125212.db2.gz FOHATUCGXDUCKI-WMZOPIPTSA-N 2 1 365.478 0.018 20 0 FCADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159349382 1223125214 /nfs/dbraw/zinc/12/52/14/1223125214.db2.gz FOHATUCGXDUCKI-WMZOPIPTSA-N 2 1 365.478 0.018 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001159472173 1223127860 /nfs/dbraw/zinc/12/78/60/1223127860.db2.gz RNDVSMJCJSRBIH-WSTZPKSXSA-N 3 1 366.550 0.910 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@]1(C)CCC[NH2+]1)CCC2 ZINC001159481205 1223128017 /nfs/dbraw/zinc/12/80/17/1223128017.db2.gz JOZOBZURRANRJM-LJQANCHMSA-N 2 1 361.490 0.958 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC[C@@H]21 ZINC001159533405 1223129502 /nfs/dbraw/zinc/12/95/02/1223129502.db2.gz FPULTDPGDAYANX-ZBRFXRBCSA-N 2 1 360.506 0.272 20 0 FCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC[C@@H]21 ZINC001159533405 1223129504 /nfs/dbraw/zinc/12/95/04/1223129504.db2.gz FPULTDPGDAYANX-ZBRFXRBCSA-N 2 1 360.506 0.272 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC[C@@H]21 ZINC001159533405 1223129507 /nfs/dbraw/zinc/12/95/07/1223129507.db2.gz FPULTDPGDAYANX-ZBRFXRBCSA-N 2 1 360.506 0.272 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)[C@@H]2C ZINC001159632941 1223131843 /nfs/dbraw/zinc/13/18/43/1223131843.db2.gz DDAFXFVVAITRMH-PBHICJAKSA-N 2 1 373.505 0.930 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667140 1223132767 /nfs/dbraw/zinc/13/27/67/1223132767.db2.gz SUXGMRIIRUDJKO-RTBURBONSA-N 2 1 373.501 0.225 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666209 1223133215 /nfs/dbraw/zinc/13/32/15/1223133215.db2.gz OYUNYUHLQVYGHQ-RCCFBDPRSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666209 1223133217 /nfs/dbraw/zinc/13/32/17/1223133217.db2.gz OYUNYUHLQVYGHQ-RCCFBDPRSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666209 1223133218 /nfs/dbraw/zinc/13/32/18/1223133218.db2.gz OYUNYUHLQVYGHQ-RCCFBDPRSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855102 1223138531 /nfs/dbraw/zinc/13/85/31/1223138531.db2.gz HVEZSWAFSQVUMG-SZMVWBNQSA-N 3 1 364.465 0.946 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855102 1223138533 /nfs/dbraw/zinc/13/85/33/1223138533.db2.gz HVEZSWAFSQVUMG-SZMVWBNQSA-N 2 1 364.465 0.946 20 0 FCADMP [NH3+]CCNCC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888696 1223138934 /nfs/dbraw/zinc/13/89/34/1223138934.db2.gz VHFMOEAFGPXSCJ-KRWDZBQOSA-N 2 1 367.444 0.690 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159898487 1223139324 /nfs/dbraw/zinc/13/93/24/1223139324.db2.gz MSCBUWWJXGYWDI-LPHOPBHVSA-N 2 1 370.453 0.914 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159898487 1223139327 /nfs/dbraw/zinc/13/93/27/1223139327.db2.gz MSCBUWWJXGYWDI-LPHOPBHVSA-N 2 1 370.453 0.914 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001160034746 1223142923 /nfs/dbraw/zinc/14/29/23/1223142923.db2.gz DYLSATVKJKEDPP-ROUUACIJSA-N 2 1 367.453 0.857 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001160422495 1223159197 /nfs/dbraw/zinc/15/91/97/1223159197.db2.gz HACXNTPTRZZKGT-BHNDVYRESA-N 2 1 358.486 0.863 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@@H]21 ZINC001160423938 1223159368 /nfs/dbraw/zinc/15/93/68/1223159368.db2.gz NYOXWQZPBUEWJS-IQZDNPOKSA-N 2 1 358.486 0.721 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160444515 1223159622 /nfs/dbraw/zinc/15/96/22/1223159622.db2.gz XATKEBLFUPSCIK-UHFFFAOYSA-N 2 1 356.470 0.908 20 0 FCADMP COCCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479463 1223161249 /nfs/dbraw/zinc/16/12/49/1223161249.db2.gz XBQCAGMIMNUOHN-SJLPKXTDSA-N 2 1 369.506 0.507 20 0 FCADMP COCCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479463 1223161256 /nfs/dbraw/zinc/16/12/56/1223161256.db2.gz XBQCAGMIMNUOHN-SJLPKXTDSA-N 2 1 369.506 0.507 20 0 FCADMP COCCOCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160479463 1223161260 /nfs/dbraw/zinc/16/12/60/1223161260.db2.gz XBQCAGMIMNUOHN-SJLPKXTDSA-N 2 1 369.506 0.507 20 0 FCADMP COCCOCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160479463 1223161265 /nfs/dbraw/zinc/16/12/65/1223161265.db2.gz XBQCAGMIMNUOHN-SJLPKXTDSA-N 2 1 369.506 0.507 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C[C@H]1C2 ZINC001160803625 1223174324 /nfs/dbraw/zinc/17/43/24/1223174324.db2.gz GECUXAXIORVZMD-VWQQLOEOSA-N 2 1 369.425 0.616 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160838449 1223177038 /nfs/dbraw/zinc/17/70/38/1223177038.db2.gz JSGVPYVFMMVCHA-UHFFFAOYSA-N 2 1 374.493 0.379 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)C1=O ZINC001160854955 1223177476 /nfs/dbraw/zinc/17/74/76/1223177476.db2.gz IORREPYBXBTWGO-ROUUACIJSA-N 2 1 356.470 0.768 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)C1=O ZINC001160854955 1223177481 /nfs/dbraw/zinc/17/74/81/1223177481.db2.gz IORREPYBXBTWGO-ROUUACIJSA-N 2 1 356.470 0.768 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COc2ccccc2)O1 ZINC001160857580 1223178288 /nfs/dbraw/zinc/17/82/88/1223178288.db2.gz LSCDQNURGSFCHM-JFIYKMOQSA-N 2 1 365.474 0.241 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COc2ccccc2)O1 ZINC001160857580 1223178292 /nfs/dbraw/zinc/17/82/92/1223178292.db2.gz LSCDQNURGSFCHM-JFIYKMOQSA-N 2 1 365.474 0.241 20 0 FCADMP COc1cccc(OCC[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001160861914 1223178298 /nfs/dbraw/zinc/17/82/98/1223178298.db2.gz AMLZZPSZIXRNGI-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP COc1cccc(OCC[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001160861914 1223178300 /nfs/dbraw/zinc/17/83/00/1223178300.db2.gz AMLZZPSZIXRNGI-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP Cc1cccc(N(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C2CC[NH2+]CC2)n1 ZINC001161301956 1223195086 /nfs/dbraw/zinc/19/50/86/1223195086.db2.gz CGYVLLCPXZMDGX-QGZVFWFLSA-N 2 1 360.506 0.225 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)OC)CC1 ZINC001162320544 1223213843 /nfs/dbraw/zinc/21/38/43/1223213843.db2.gz MMYXUZOCPBRKTE-BRWVUGGUSA-N 2 1 371.522 0.585 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)OC)CC1 ZINC001162320544 1223213846 /nfs/dbraw/zinc/21/38/46/1223213846.db2.gz MMYXUZOCPBRKTE-BRWVUGGUSA-N 2 1 371.522 0.585 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H](N4CCOCC4)[C@H](F)C3)n2)CC1 ZINC001165212666 1223243643 /nfs/dbraw/zinc/24/36/43/1223243643.db2.gz VDEURNMVSKHSQD-CVEARBPZSA-N 2 1 364.469 0.653 20 0 FCADMP CCn1nnc2c1[C@H](COC)CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001165525216 1223247509 /nfs/dbraw/zinc/24/75/09/1223247509.db2.gz MTHKLQLYLLUWNS-ZDUSSCGKSA-N 2 1 372.477 0.766 20 0 FCADMP Cc1ncc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001165728804 1223255413 /nfs/dbraw/zinc/25/54/13/1223255413.db2.gz UVJUCNLYMMRODM-RHSMWYFYSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1ncc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001165728804 1223255417 /nfs/dbraw/zinc/25/54/17/1223255417.db2.gz UVJUCNLYMMRODM-RHSMWYFYSA-N 2 1 361.490 0.880 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334872 1223319968 /nfs/dbraw/zinc/31/99/68/1223319968.db2.gz RZUBBLXWYSTNSJ-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CCCC[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001205519161 1223330324 /nfs/dbraw/zinc/33/03/24/1223330324.db2.gz XQGGOLBQAZRLLH-DJIMGWMZSA-N 2 1 368.522 0.578 20 0 FCADMP CCCC[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001205519161 1223330326 /nfs/dbraw/zinc/33/03/26/1223330326.db2.gz XQGGOLBQAZRLLH-DJIMGWMZSA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205630411 1223333695 /nfs/dbraw/zinc/33/36/95/1223333695.db2.gz ZHTJAUMHAQKXDM-GOEBONIOSA-N 2 1 364.465 0.925 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(CC[C@@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001205865039 1223340485 /nfs/dbraw/zinc/34/04/85/1223340485.db2.gz DVAOUJBXTQUNRM-OAHLLOKOSA-N 2 1 358.446 0.229 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001206980335 1223400606 /nfs/dbraw/zinc/40/06/06/1223400606.db2.gz XBJPLGSXAJJHTE-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001206980335 1223400608 /nfs/dbraw/zinc/40/06/08/1223400608.db2.gz XBJPLGSXAJJHTE-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206980319 1223400710 /nfs/dbraw/zinc/40/07/10/1223400710.db2.gz VBWDFGZTXJJFHH-DJIMGWMZSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206980319 1223400715 /nfs/dbraw/zinc/40/07/15/1223400715.db2.gz VBWDFGZTXJJFHH-DJIMGWMZSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980306 1223401215 /nfs/dbraw/zinc/40/12/15/1223401215.db2.gz UDXDGYUTJUHGTC-DJIMGWMZSA-N 2 1 365.522 0.472 20 0 FCADMP Cc1cnc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1 ZINC001207075028 1223412452 /nfs/dbraw/zinc/41/24/52/1223412452.db2.gz KNZQTHRFIMBQLW-UHFFFAOYSA-N 2 1 360.506 0.455 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)CC1 ZINC001207396794 1223443550 /nfs/dbraw/zinc/44/35/50/1223443550.db2.gz UUBVBFPMEULHGN-ZACQAIPSSA-N 2 1 359.474 0.951 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001207641508 1223463831 /nfs/dbraw/zinc/46/38/31/1223463831.db2.gz QJFMWOUTQMIHIC-KYJSFNMBSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001207641508 1223463832 /nfs/dbraw/zinc/46/38/32/1223463832.db2.gz QJFMWOUTQMIHIC-KYJSFNMBSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001208071303 1223512977 /nfs/dbraw/zinc/51/29/77/1223512977.db2.gz ZNOGAXAXLSSHPM-HLLBOEOZSA-N 2 1 362.474 0.817 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001208070362 1223513506 /nfs/dbraw/zinc/51/35/06/1223513506.db2.gz KGQMIFDAYBRNPB-QLFBSQMISA-N 2 1 360.462 0.336 20 0 FCADMP COCCNC(=O)[C@@H]1Cn2nccc2C[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110911 1223516298 /nfs/dbraw/zinc/51/62/98/1223516298.db2.gz XWZYBKCAIKREFO-INIZCTEOSA-N 2 1 363.506 0.809 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208110884 1223516650 /nfs/dbraw/zinc/51/66/50/1223516650.db2.gz WRSDKNNNXOMFQF-HXUWFJFHSA-N 2 1 366.550 0.879 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410685 1223541131 /nfs/dbraw/zinc/54/11/31/1223541131.db2.gz CBABVBWIAYGIOJ-HYVNUMGLSA-N 2 1 368.522 0.591 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410685 1223541136 /nfs/dbraw/zinc/54/11/36/1223541136.db2.gz CBABVBWIAYGIOJ-HYVNUMGLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496481 1223551745 /nfs/dbraw/zinc/55/17/45/1223551745.db2.gz VMIVGXYSOFPMDX-UWWQBHOKSA-N 2 1 367.465 0.954 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604197 1223562825 /nfs/dbraw/zinc/56/28/25/1223562825.db2.gz DKWRIYFAZIQANN-ATZDWAIDSA-N 2 1 363.502 0.848 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208706708 1223572265 /nfs/dbraw/zinc/57/22/65/1223572265.db2.gz CWATYAYTNBGZCN-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208706708 1223572268 /nfs/dbraw/zinc/57/22/68/1223572268.db2.gz CWATYAYTNBGZCN-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149907 1223600860 /nfs/dbraw/zinc/60/08/60/1223600860.db2.gz JIGQQUNRUFFEMU-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149907 1223600863 /nfs/dbraw/zinc/60/08/63/1223600863.db2.gz JIGQQUNRUFFEMU-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)CCCN1CC[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CC1 ZINC001209276237 1223606673 /nfs/dbraw/zinc/60/66/73/1223606673.db2.gz XQNKFRBWGYNXKC-FGTMMUONSA-N 2 1 373.538 0.209 20 0 FCADMP CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630203 1223608871 /nfs/dbraw/zinc/60/88/71/1223608871.db2.gz MGLRCGRLTSTMKL-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649148 1223636895 /nfs/dbraw/zinc/63/68/95/1223636895.db2.gz LVXYCFUXXJZQCH-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649148 1223636899 /nfs/dbraw/zinc/63/68/99/1223636899.db2.gz LVXYCFUXXJZQCH-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001209731644 1223645089 /nfs/dbraw/zinc/64/50/89/1223645089.db2.gz YQPPOKKHPKZYDV-APWZRJJASA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001209731644 1223645092 /nfs/dbraw/zinc/64/50/92/1223645092.db2.gz YQPPOKKHPKZYDV-APWZRJJASA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001209730472 1223645209 /nfs/dbraw/zinc/64/52/09/1223645209.db2.gz LMLBGVRXVPKFME-RVSPLBMKSA-N 2 1 357.414 0.749 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001209730472 1223645212 /nfs/dbraw/zinc/64/52/12/1223645212.db2.gz LMLBGVRXVPKFME-RVSPLBMKSA-N 2 1 357.414 0.749 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322785 1223683191 /nfs/dbraw/zinc/68/31/91/1223683191.db2.gz YTAJDKAUUZMCTN-RDTXWAMCSA-N 2 1 367.465 0.833 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322785 1223683193 /nfs/dbraw/zinc/68/31/93/1223683193.db2.gz YTAJDKAUUZMCTN-RDTXWAMCSA-N 2 1 367.465 0.833 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426233 1223690126 /nfs/dbraw/zinc/69/01/26/1223690126.db2.gz CRCGBMMQXXMVRK-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426233 1223690129 /nfs/dbraw/zinc/69/01/29/1223690129.db2.gz CRCGBMMQXXMVRK-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684811 1223693920 /nfs/dbraw/zinc/69/39/20/1223693920.db2.gz FCPNSPQHIFUZEJ-UZLBHIALSA-N 2 1 359.470 0.954 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210528776 1223695481 /nfs/dbraw/zinc/69/54/81/1223695481.db2.gz GXIWCSFAEMZOOR-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210528776 1223695482 /nfs/dbraw/zinc/69/54/82/1223695482.db2.gz GXIWCSFAEMZOOR-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210528776 1223695483 /nfs/dbraw/zinc/69/54/83/1223695483.db2.gz GXIWCSFAEMZOOR-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210528776 1223695484 /nfs/dbraw/zinc/69/54/84/1223695484.db2.gz GXIWCSFAEMZOOR-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211031868 1223719957 /nfs/dbraw/zinc/71/99/57/1223719957.db2.gz OQNLWUYLDNGKME-HLLBOEOZSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211031868 1223719959 /nfs/dbraw/zinc/71/99/59/1223719959.db2.gz OQNLWUYLDNGKME-HLLBOEOZSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211031868 1223719961 /nfs/dbraw/zinc/71/99/61/1223719961.db2.gz OQNLWUYLDNGKME-HLLBOEOZSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211031868 1223719963 /nfs/dbraw/zinc/71/99/63/1223719963.db2.gz OQNLWUYLDNGKME-HLLBOEOZSA-N 2 1 362.474 0.626 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001211364473 1223737321 /nfs/dbraw/zinc/73/73/21/1223737321.db2.gz JHTVZTMBTCERSU-SOLBZPMBSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001211364473 1223737324 /nfs/dbraw/zinc/73/73/24/1223737324.db2.gz JHTVZTMBTCERSU-SOLBZPMBSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167825 1223762395 /nfs/dbraw/zinc/76/23/95/1223762395.db2.gz LQQHDEKXEFMPFG-BRWVUGGUSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167825 1223762398 /nfs/dbraw/zinc/76/23/98/1223762398.db2.gz LQQHDEKXEFMPFG-BRWVUGGUSA-N 2 1 366.462 0.203 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322670 1223783843 /nfs/dbraw/zinc/78/38/43/1223783843.db2.gz NFQDUUIIHZCBDN-KZNAEPCWSA-N 2 1 371.522 0.587 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322670 1223783844 /nfs/dbraw/zinc/78/38/44/1223783844.db2.gz NFQDUUIIHZCBDN-KZNAEPCWSA-N 2 1 371.522 0.587 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322670 1223783847 /nfs/dbraw/zinc/78/38/47/1223783847.db2.gz NFQDUUIIHZCBDN-KZNAEPCWSA-N 2 1 371.522 0.587 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213328846 1223785684 /nfs/dbraw/zinc/78/56/84/1223785684.db2.gz CWFJRKSOWCZXJQ-KZNAEPCWSA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213328846 1223785687 /nfs/dbraw/zinc/78/56/87/1223785687.db2.gz CWFJRKSOWCZXJQ-KZNAEPCWSA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001213328846 1223785688 /nfs/dbraw/zinc/78/56/88/1223785688.db2.gz CWFJRKSOWCZXJQ-KZNAEPCWSA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001213328846 1223785691 /nfs/dbraw/zinc/78/56/91/1223785691.db2.gz CWFJRKSOWCZXJQ-KZNAEPCWSA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348589 1223789446 /nfs/dbraw/zinc/78/94/46/1223789446.db2.gz PJNOHCPGYWGCIF-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348589 1223789448 /nfs/dbraw/zinc/78/94/48/1223789448.db2.gz PJNOHCPGYWGCIF-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369378 1223791024 /nfs/dbraw/zinc/79/10/24/1223791024.db2.gz QMGXVJHESLINAM-DJIMGWMZSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369378 1223791027 /nfs/dbraw/zinc/79/10/27/1223791027.db2.gz QMGXVJHESLINAM-DJIMGWMZSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374310 1223792060 /nfs/dbraw/zinc/79/20/60/1223792060.db2.gz AENQILRAXLWDSU-GVDBMIGSSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374310 1223792063 /nfs/dbraw/zinc/79/20/63/1223792063.db2.gz AENQILRAXLWDSU-GVDBMIGSSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377991 1223792171 /nfs/dbraw/zinc/79/21/71/1223792171.db2.gz AJZBBXYWFWDPQT-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001213455498 1223801318 /nfs/dbraw/zinc/80/13/18/1223801318.db2.gz DXAZLBVPTHSZLY-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576837 1223817038 /nfs/dbraw/zinc/81/70/38/1223817038.db2.gz XVKZPZYOCIKZEY-QZTJIDSGSA-N 2 1 371.522 0.731 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576837 1223817040 /nfs/dbraw/zinc/81/70/40/1223817040.db2.gz XVKZPZYOCIKZEY-QZTJIDSGSA-N 2 1 371.522 0.731 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1OC ZINC001213678164 1223831630 /nfs/dbraw/zinc/83/16/30/1223831630.db2.gz HVLYQUYVVKZGEE-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1OC ZINC001213678164 1223831632 /nfs/dbraw/zinc/83/16/32/1223831632.db2.gz HVLYQUYVVKZGEE-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC ZINC001213678164 1223831633 /nfs/dbraw/zinc/83/16/33/1223831633.db2.gz HVLYQUYVVKZGEE-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753196 1223844107 /nfs/dbraw/zinc/84/41/07/1223844107.db2.gz CALFKBGAPGYZQJ-HZPDHXFCSA-N 2 1 367.494 0.858 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213756313 1223844724 /nfs/dbraw/zinc/84/47/24/1223844724.db2.gz RKWRBAKNAGBFIA-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755988 1223844815 /nfs/dbraw/zinc/84/48/15/1223844815.db2.gz LQORIVJDXYZDEK-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755988 1223844817 /nfs/dbraw/zinc/84/48/17/1223844817.db2.gz LQORIVJDXYZDEK-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755988 1223844819 /nfs/dbraw/zinc/84/48/19/1223844819.db2.gz LQORIVJDXYZDEK-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755988 1223844820 /nfs/dbraw/zinc/84/48/20/1223844820.db2.gz LQORIVJDXYZDEK-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755988 1223844821 /nfs/dbraw/zinc/84/48/21/1223844821.db2.gz LQORIVJDXYZDEK-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755986 1223844969 /nfs/dbraw/zinc/84/49/69/1223844969.db2.gz LQORIVJDXYZDEK-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755986 1223844971 /nfs/dbraw/zinc/84/49/71/1223844971.db2.gz LQORIVJDXYZDEK-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755986 1223844972 /nfs/dbraw/zinc/84/49/72/1223844972.db2.gz LQORIVJDXYZDEK-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755986 1223844975 /nfs/dbraw/zinc/84/49/75/1223844975.db2.gz LQORIVJDXYZDEK-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213755986 1223844977 /nfs/dbraw/zinc/84/49/77/1223844977.db2.gz LQORIVJDXYZDEK-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764948 1223846046 /nfs/dbraw/zinc/84/60/46/1223846046.db2.gz LXBDEFTVHLMKMD-GVDBMIGSSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764948 1223846047 /nfs/dbraw/zinc/84/60/47/1223846047.db2.gz LXBDEFTVHLMKMD-GVDBMIGSSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764948 1223846048 /nfs/dbraw/zinc/84/60/48/1223846048.db2.gz LXBDEFTVHLMKMD-GVDBMIGSSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764948 1223846050 /nfs/dbraw/zinc/84/60/50/1223846050.db2.gz LXBDEFTVHLMKMD-GVDBMIGSSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213769088 1223846507 /nfs/dbraw/zinc/84/65/07/1223846507.db2.gz HSGWXUNZUCARKO-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213769088 1223846510 /nfs/dbraw/zinc/84/65/10/1223846510.db2.gz HSGWXUNZUCARKO-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213769088 1223846512 /nfs/dbraw/zinc/84/65/12/1223846512.db2.gz HSGWXUNZUCARKO-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974235 1223879825 /nfs/dbraw/zinc/87/98/25/1223879825.db2.gz NRSZEIQIZUJNPB-QZTJIDSGSA-N 2 1 371.522 0.731 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214661887 1223930365 /nfs/dbraw/zinc/93/03/65/1223930365.db2.gz JARUNQHJPSYKOK-JOCBIADPSA-N 2 1 373.501 0.475 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)no1 ZINC001214861088 1223949055 /nfs/dbraw/zinc/94/90/55/1223949055.db2.gz HTVNODNBACKBRE-IUODEOHRSA-N 2 1 363.462 0.842 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861132 1223949163 /nfs/dbraw/zinc/94/91/63/1223949163.db2.gz IZHAHKDTMJPQKI-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)on1 ZINC001214973292 1223960795 /nfs/dbraw/zinc/96/07/95/1223960795.db2.gz QKLMPSSGIDVFFV-BPLDGKMQSA-N 2 1 363.462 0.842 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1NCC(=O)Nc1cnccn1 ZINC001215200458 1223981765 /nfs/dbraw/zinc/98/17/65/1223981765.db2.gz WPZVCUJUBIRGFT-ZIAGYGMSSA-N 2 1 371.445 0.218 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)c1nnnn1C ZINC001215234487 1223984921 /nfs/dbraw/zinc/98/49/21/1223984921.db2.gz XFBULFWPLDTALW-RBSFLKMASA-N 2 1 363.510 0.972 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392917 1223995982 /nfs/dbraw/zinc/99/59/82/1223995982.db2.gz HAKQLPFECMTFTM-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392917 1223995983 /nfs/dbraw/zinc/99/59/83/1223995983.db2.gz HAKQLPFECMTFTM-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410437 1223997962 /nfs/dbraw/zinc/99/79/62/1223997962.db2.gz UTQLEWDKCCIZGQ-FRFSOERESA-N 2 1 361.490 0.717 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215413523 1223998492 /nfs/dbraw/zinc/99/84/92/1223998492.db2.gz HMYOJZLXOMFLJI-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1ccc(O)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276724385 1224005173 /nfs/dbraw/zinc/00/51/73/1224005173.db2.gz RLNHZBCEUXGSOS-IBGZPJMESA-N 2 1 362.474 0.708 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCc3ccco3)C2)C1 ZINC001215539919 1224005269 /nfs/dbraw/zinc/00/52/69/1224005269.db2.gz CPUZBCREBBRMEY-BFYDXBDKSA-N 2 1 362.474 0.674 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568372 1224006250 /nfs/dbraw/zinc/00/62/50/1224006250.db2.gz NOPNOGCVFQLYJS-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215930220 1224024997 /nfs/dbraw/zinc/02/49/97/1224024997.db2.gz UCYRPGHZSVKBMZ-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215930151 1224025431 /nfs/dbraw/zinc/02/54/31/1224025431.db2.gz QSYJLNWDPGROGZ-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC(C)(C)C ZINC001215938806 1224025884 /nfs/dbraw/zinc/02/58/84/1224025884.db2.gz NMSRTPFMEKBZMT-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216515468 1224054342 /nfs/dbraw/zinc/05/43/42/1224054342.db2.gz QRMFEBKBQUVGHQ-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)c1nnnn1C ZINC001216772999 1224070989 /nfs/dbraw/zinc/07/09/89/1224070989.db2.gz UJTUPNMODCEOMW-BZUAXINKSA-N 2 1 363.510 0.974 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCN3CCCC3=O)CC2)O1 ZINC000985496604 1248948086 /nfs/dbraw/zinc/94/80/86/1248948086.db2.gz NVBRPHVACCHNRD-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCN3CCCC3=O)CC2)O1 ZINC000985496604 1248948093 /nfs/dbraw/zinc/94/80/93/1248948093.db2.gz NVBRPHVACCHNRD-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CCN3CCCC3=O)CC2)O1 ZINC000985496604 1248948100 /nfs/dbraw/zinc/94/81/00/1248948100.db2.gz NVBRPHVACCHNRD-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CCN3CCCC3=O)CC2)O1 ZINC000985496604 1248948106 /nfs/dbraw/zinc/94/81/06/1248948106.db2.gz NVBRPHVACCHNRD-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988015343 1249293595 /nfs/dbraw/zinc/29/35/95/1249293595.db2.gz YEPJJFOZLYISLL-DJIMGWMZSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988015343 1249293605 /nfs/dbraw/zinc/29/36/05/1249293605.db2.gz YEPJJFOZLYISLL-DJIMGWMZSA-N 2 1 361.490 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000988029572 1249305120 /nfs/dbraw/zinc/30/51/20/1249305120.db2.gz AZORFBIMIQGCNA-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n[nH]1 ZINC000823771486 1245321289 /nfs/dbraw/zinc/32/12/89/1245321289.db2.gz SSZOYRKLWKMEMU-IRXDYDNUSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n[nH]1 ZINC000823771486 1245321294 /nfs/dbraw/zinc/32/12/94/1245321294.db2.gz SSZOYRKLWKMEMU-IRXDYDNUSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000823771486 1245321298 /nfs/dbraw/zinc/32/12/98/1245321298.db2.gz SSZOYRKLWKMEMU-IRXDYDNUSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000823771486 1245321302 /nfs/dbraw/zinc/32/13/02/1245321302.db2.gz SSZOYRKLWKMEMU-IRXDYDNUSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000847500437 1245340985 /nfs/dbraw/zinc/34/09/85/1245340985.db2.gz JCYUZJQALHQTBL-FQEVSTJZSA-N 2 1 374.529 0.927 20 0 FCADMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849111506 1245393126 /nfs/dbraw/zinc/39/31/26/1245393126.db2.gz QOJPNRUSBBVHTB-ZDUSSCGKSA-N 2 1 370.498 0.212 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000891597310 1245456507 /nfs/dbraw/zinc/45/65/07/1245456507.db2.gz GXTDZOPSDKDTJQ-FGTMMUONSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000891597310 1245456511 /nfs/dbraw/zinc/45/65/11/1245456511.db2.gz GXTDZOPSDKDTJQ-FGTMMUONSA-N 2 1 368.522 0.584 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891580287 1245456572 /nfs/dbraw/zinc/45/65/72/1245456572.db2.gz VZJHGKLBCRIMNY-KRWDZBQOSA-N 2 1 367.538 0.472 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000893398826 1245460763 /nfs/dbraw/zinc/46/07/63/1245460763.db2.gz QVJAPEGIDHNZHI-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[nH+]1 ZINC000911481062 1245498501 /nfs/dbraw/zinc/49/85/01/1245498501.db2.gz RMIFHDFYUKPWPX-UHFFFAOYSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000911481115 1245498718 /nfs/dbraw/zinc/49/87/18/1245498718.db2.gz SQHIYTFEVDZJEX-INIZCTEOSA-N 2 1 359.474 0.909 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517436 1245505262 /nfs/dbraw/zinc/50/52/62/1245505262.db2.gz JHMDIPCIDRNUIP-XOYOTBSWSA-N 2 1 356.470 0.670 20 0 FCADMP O=C([C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282342 1245706134 /nfs/dbraw/zinc/70/61/34/1245706134.db2.gz NQLQMURXGHSPFN-HOTGVXAUSA-N 2 1 365.449 0.709 20 0 FCADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325244 1245708190 /nfs/dbraw/zinc/70/81/90/1245708190.db2.gz BJGIUHFPOOSNEZ-LSDHHAIUSA-N 2 1 365.478 0.663 20 0 FCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000923480525 1245725059 /nfs/dbraw/zinc/72/50/59/1245725059.db2.gz ACXHFDXYCWRXSP-QGZVFWFLSA-N 2 1 360.502 0.806 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000938310040 1245844578 /nfs/dbraw/zinc/84/45/78/1245844578.db2.gz YVKGQZHEDOPYEH-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000938310040 1245844587 /nfs/dbraw/zinc/84/45/87/1245844587.db2.gz YVKGQZHEDOPYEH-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000938717855 1245902181 /nfs/dbraw/zinc/90/21/81/1245902181.db2.gz XHMLZBGCLBPQLB-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000938717855 1245902189 /nfs/dbraw/zinc/90/21/89/1245902189.db2.gz XHMLZBGCLBPQLB-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000938717855 1245902193 /nfs/dbraw/zinc/90/21/93/1245902193.db2.gz XHMLZBGCLBPQLB-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000938717855 1245902198 /nfs/dbraw/zinc/90/21/98/1245902198.db2.gz XHMLZBGCLBPQLB-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000941273951 1246536039 /nfs/dbraw/zinc/53/60/39/1246536039.db2.gz UQSFFUJZUQKJOG-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941370356 1246580609 /nfs/dbraw/zinc/58/06/09/1246580609.db2.gz VNHNPUMVCZCSKS-BRWVUGGUSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300329 1247289216 /nfs/dbraw/zinc/28/92/16/1247289216.db2.gz AVOIJNBAXLDDQB-FVQBIDKESA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300329 1247289226 /nfs/dbraw/zinc/28/92/26/1247289226.db2.gz AVOIJNBAXLDDQB-FVQBIDKESA-N 2 1 363.462 0.018 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000943338407 1247302849 /nfs/dbraw/zinc/30/28/49/1247302849.db2.gz KJLZJEFCSGIJEW-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000943338407 1247302861 /nfs/dbraw/zinc/30/28/61/1247302861.db2.gz KJLZJEFCSGIJEW-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943590975 1247360532 /nfs/dbraw/zinc/36/05/32/1247360532.db2.gz AQUHXHVSJZNASV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000943590975 1247360544 /nfs/dbraw/zinc/36/05/44/1247360544.db2.gz AQUHXHVSJZNASV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000943590975 1247360553 /nfs/dbraw/zinc/36/05/53/1247360553.db2.gz AQUHXHVSJZNASV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[NH+]2C)CC3)CC[N@H+]1C ZINC000944884456 1247675712 /nfs/dbraw/zinc/67/57/12/1247675712.db2.gz PHAKUMFAPHRVDD-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC3)CC[NH+]1C ZINC000944884456 1247675723 /nfs/dbraw/zinc/67/57/23/1247675723.db2.gz PHAKUMFAPHRVDD-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC3)CC[NH+]1C ZINC000944884456 1247675738 /nfs/dbraw/zinc/67/57/38/1247675738.db2.gz PHAKUMFAPHRVDD-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000945985559 1247771338 /nfs/dbraw/zinc/77/13/38/1247771338.db2.gz DRBICRODMHACIU-FIDHJVLJSA-N 2 1 366.506 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000945985559 1247771347 /nfs/dbraw/zinc/77/13/47/1247771347.db2.gz DRBICRODMHACIU-FIDHJVLJSA-N 2 1 366.506 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000945985559 1247771361 /nfs/dbraw/zinc/77/13/61/1247771361.db2.gz DRBICRODMHACIU-FIDHJVLJSA-N 2 1 366.506 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000945987634 1247773524 /nfs/dbraw/zinc/77/35/24/1247773524.db2.gz ZZUZHUJDCRKZBA-MWDXBVQZSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839680 1265440290 /nfs/dbraw/zinc/44/02/90/1265440290.db2.gz KDBALZWVFJHKTQ-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000946770082 1248002140 /nfs/dbraw/zinc/00/21/40/1248002140.db2.gz IZUFHJIPTBYXAB-NUEKZKHPSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946770082 1248002145 /nfs/dbraw/zinc/00/21/45/1248002145.db2.gz IZUFHJIPTBYXAB-NUEKZKHPSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000946771325 1248002296 /nfs/dbraw/zinc/00/22/96/1248002296.db2.gz ZOFWDQSTNXUVQA-NUEKZKHPSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946771325 1248002304 /nfs/dbraw/zinc/00/23/04/1248002304.db2.gz ZOFWDQSTNXUVQA-NUEKZKHPSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000946775129 1248006490 /nfs/dbraw/zinc/00/64/90/1248006490.db2.gz CJSCJEKWCQXDDL-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001327865263 1265445471 /nfs/dbraw/zinc/44/54/71/1265445471.db2.gz XRRSFKMQMWTEFC-SFHVURJKSA-N 2 1 368.522 0.728 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC000974905536 1248185328 /nfs/dbraw/zinc/18/53/28/1248185328.db2.gz FMSAEPBWVGGIPQ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)CC1 ZINC000974905788 1248186688 /nfs/dbraw/zinc/18/66/88/1248186688.db2.gz JJYJJDMORUPIAM-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976602430 1248281493 /nfs/dbraw/zinc/28/14/93/1248281493.db2.gz RAXRLOKNPROHPD-OBRKIGFESA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976602430 1248281504 /nfs/dbraw/zinc/28/15/04/1248281504.db2.gz RAXRLOKNPROHPD-OBRKIGFESA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976602430 1248281517 /nfs/dbraw/zinc/28/15/17/1248281517.db2.gz RAXRLOKNPROHPD-OBRKIGFESA-N 2 1 362.518 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976607654 1248289918 /nfs/dbraw/zinc/28/99/18/1248289918.db2.gz IEEDGWXDJSBXIJ-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]32)CC[NH+]1C ZINC000976607654 1248289922 /nfs/dbraw/zinc/28/99/22/1248289922.db2.gz IEEDGWXDJSBXIJ-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)CC[NH+]1C ZINC000976607654 1248289926 /nfs/dbraw/zinc/28/99/26/1248289926.db2.gz IEEDGWXDJSBXIJ-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC000976607666 1248290870 /nfs/dbraw/zinc/29/08/70/1248290870.db2.gz IKEFYILEZNTDDO-QXDIGNSFSA-N 2 1 362.518 0.632 20 0 FCADMP Cc1c(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC000995008511 1250723634 /nfs/dbraw/zinc/72/36/34/1250723634.db2.gz NAKWRRDNFODFAV-SJKOYZFVSA-N 2 1 355.442 0.924 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956048 1251091973 /nfs/dbraw/zinc/09/19/73/1251091973.db2.gz FYYJJNFITHYRBQ-DJIMGWMZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956048 1251091976 /nfs/dbraw/zinc/09/19/76/1251091976.db2.gz FYYJJNFITHYRBQ-DJIMGWMZSA-N 2 1 361.490 0.831 20 0 FCADMP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC000996543393 1251376970 /nfs/dbraw/zinc/37/69/70/1251376970.db2.gz DGMROEBKZWZCEM-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC000996570639 1251391161 /nfs/dbraw/zinc/39/11/61/1251391161.db2.gz BATALAKECHSAQR-CVYDXHPNSA-N 2 1 359.474 0.780 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996716155 1251423800 /nfs/dbraw/zinc/42/38/00/1251423800.db2.gz IUHHKTFZZKDLIM-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996716155 1251423806 /nfs/dbraw/zinc/42/38/06/1251423806.db2.gz IUHHKTFZZKDLIM-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000997859756 1251728232 /nfs/dbraw/zinc/72/82/32/1251728232.db2.gz MCKJFSBNYXKAMS-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000997859756 1251728242 /nfs/dbraw/zinc/72/82/42/1251728242.db2.gz MCKJFSBNYXKAMS-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997885588 1251736628 /nfs/dbraw/zinc/73/66/28/1251736628.db2.gz IAHADERASOILJJ-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000998048789 1251767623 /nfs/dbraw/zinc/76/76/23/1251767623.db2.gz XDAYAGKHTOGRBO-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000998048789 1251767631 /nfs/dbraw/zinc/76/76/31/1251767631.db2.gz XDAYAGKHTOGRBO-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000998048789 1251767637 /nfs/dbraw/zinc/76/76/37/1251767637.db2.gz XDAYAGKHTOGRBO-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000998048789 1251767640 /nfs/dbraw/zinc/76/76/40/1251767640.db2.gz XDAYAGKHTOGRBO-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)CC2 ZINC000998585766 1251915836 /nfs/dbraw/zinc/91/58/36/1251915836.db2.gz FPVIARCDUIIZAV-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)CC2 ZINC000998585766 1251915839 /nfs/dbraw/zinc/91/58/39/1251915839.db2.gz FPVIARCDUIIZAV-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000999498033 1252126202 /nfs/dbraw/zinc/12/62/02/1252126202.db2.gz UIBSBNCXPMXMPO-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000999498033 1252126206 /nfs/dbraw/zinc/12/62/06/1252126206.db2.gz UIBSBNCXPMXMPO-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999498612 1252126682 /nfs/dbraw/zinc/12/66/82/1252126682.db2.gz XADBPMKNWAGPON-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999498612 1252126686 /nfs/dbraw/zinc/12/66/86/1252126686.db2.gz XADBPMKNWAGPON-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001002792980 1252676147 /nfs/dbraw/zinc/67/61/47/1252676147.db2.gz ZDVJWVCYBFDRRZ-SZXPJGKVSA-N 2 1 371.485 0.961 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003132404 1252788922 /nfs/dbraw/zinc/78/89/22/1252788922.db2.gz BXTHKGIMNLCOHE-SJLPKXTDSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003132404 1252788936 /nfs/dbraw/zinc/78/89/36/1252788936.db2.gz BXTHKGIMNLCOHE-SJLPKXTDSA-N 2 1 363.506 0.800 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC001003340200 1252852274 /nfs/dbraw/zinc/85/22/74/1252852274.db2.gz GLHRFJLYAFPHCD-UKRRQHHQSA-N 2 1 359.474 0.676 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003746885 1253089231 /nfs/dbraw/zinc/08/92/31/1253089231.db2.gz WLBPMYCVXHLATH-ZACQAIPSSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001004209338 1253245813 /nfs/dbraw/zinc/24/58/13/1253245813.db2.gz DLWMKDCKAIYSMQ-TVFCKZIOSA-N 2 1 371.485 0.781 20 0 FCADMP Cc1[nH+]ccn1CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC001519466405 1265721894 /nfs/dbraw/zinc/72/18/94/1265721894.db2.gz VYAJOZYYIOSZJP-INIZCTEOSA-N 2 1 359.478 0.721 20 0 FCADMP Cc1c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)nnn1C1CC[NH2+]CC1 ZINC001329282330 1265726118 /nfs/dbraw/zinc/72/61/18/1265726118.db2.gz RVOJHXNGZYSNLW-AWEZNQCLSA-N 2 1 363.510 0.124 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001006180689 1253722018 /nfs/dbraw/zinc/72/20/18/1253722018.db2.gz KBJFTEIOPAAZCJ-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001006180689 1253722026 /nfs/dbraw/zinc/72/20/26/1253722026.db2.gz KBJFTEIOPAAZCJ-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001006184056 1253722499 /nfs/dbraw/zinc/72/24/99/1253722499.db2.gz MPVJYFNQJPMJJS-HYVNUMGLSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001022174619 1253801316 /nfs/dbraw/zinc/80/13/16/1253801316.db2.gz IIRAVEDEKAFAJF-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001022174619 1253801328 /nfs/dbraw/zinc/80/13/28/1253801328.db2.gz IIRAVEDEKAFAJF-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917326 1253848686 /nfs/dbraw/zinc/84/86/86/1253848686.db2.gz ZTBQTNOCZGTRBR-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917326 1253848698 /nfs/dbraw/zinc/84/86/98/1253848698.db2.gz ZTBQTNOCZGTRBR-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994027 1253913470 /nfs/dbraw/zinc/91/34/70/1253913470.db2.gz ISRBZMKSATYWAF-QYZOEREBSA-N 2 1 370.497 0.658 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994027 1253913483 /nfs/dbraw/zinc/91/34/83/1253913483.db2.gz ISRBZMKSATYWAF-QYZOEREBSA-N 2 1 370.497 0.658 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329570544 1265784947 /nfs/dbraw/zinc/78/49/47/1265784947.db2.gz RTMOSYOBGXZDQC-SJORKVTESA-N 2 1 374.489 0.718 20 0 FCADMP C[N@@H+](CCN1CCN(CC(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC001329579444 1265785933 /nfs/dbraw/zinc/78/59/33/1265785933.db2.gz LWEHAQRELJZVEJ-UHFFFAOYSA-N 3 1 359.518 0.168 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001033097346 1253944240 /nfs/dbraw/zinc/94/42/40/1253944240.db2.gz XYOLBAOHKHAPNV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001033097346 1253944247 /nfs/dbraw/zinc/94/42/47/1253944247.db2.gz XYOLBAOHKHAPNV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033097346 1253944252 /nfs/dbraw/zinc/94/42/52/1253944252.db2.gz XYOLBAOHKHAPNV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033097346 1253944257 /nfs/dbraw/zinc/94/42/57/1253944257.db2.gz XYOLBAOHKHAPNV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC001034674125 1253998146 /nfs/dbraw/zinc/99/81/46/1253998146.db2.gz FBQRDFSWRJFBIW-KJWHEZOQSA-N 2 1 365.482 0.007 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC001034674125 1253998155 /nfs/dbraw/zinc/99/81/55/1253998155.db2.gz FBQRDFSWRJFBIW-KJWHEZOQSA-N 2 1 365.482 0.007 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1C[NH+](C)CCN1C ZINC001519902870 1265795757 /nfs/dbraw/zinc/79/57/57/1265795757.db2.gz VNLZNQJYEXOOET-HRCADAONSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001519902870 1265795762 /nfs/dbraw/zinc/79/57/62/1265795762.db2.gz VNLZNQJYEXOOET-HRCADAONSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001519902870 1265795767 /nfs/dbraw/zinc/79/57/67/1265795767.db2.gz VNLZNQJYEXOOET-HRCADAONSA-N 2 1 355.527 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@@H]4CCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035187850 1254018882 /nfs/dbraw/zinc/01/88/82/1254018882.db2.gz IIHQVJNZRWYDCH-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@@H+]([C@@H]4CCNC4=O)C3)CC2)CC[NH+]1C ZINC001035187850 1254018890 /nfs/dbraw/zinc/01/88/90/1254018890.db2.gz IIHQVJNZRWYDCH-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@H+]([C@@H]4CCNC4=O)C3)CC2)CC[NH+]1C ZINC001035187850 1254018894 /nfs/dbraw/zinc/01/88/94/1254018894.db2.gz IIHQVJNZRWYDCH-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4cn(C)nn4)C3)CC2)CC[N@@H+]1C ZINC001035186824 1254019809 /nfs/dbraw/zinc/01/98/09/1254019809.db2.gz KTJQJXDPWQZUTJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4cn(C)nn4)C3)CC2)CC[N@H+]1C ZINC001035186824 1254019822 /nfs/dbraw/zinc/01/98/22/1254019822.db2.gz KTJQJXDPWQZUTJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](Cc4cn(C)nn4)C3)CC2)CC[NH+]1C ZINC001035186824 1254019827 /nfs/dbraw/zinc/01/98/27/1254019827.db2.gz KTJQJXDPWQZUTJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4cn(C)nn4)C3)CC2)CC[NH+]1C ZINC001035186824 1254019830 /nfs/dbraw/zinc/01/98/30/1254019830.db2.gz KTJQJXDPWQZUTJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001062282768 1254256859 /nfs/dbraw/zinc/25/68/59/1254256859.db2.gz WMSAMGKHJRLXPJ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062292025 1254258986 /nfs/dbraw/zinc/25/89/86/1254258986.db2.gz RFYLAXIUXUECQP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062292025 1254258993 /nfs/dbraw/zinc/25/89/93/1254258993.db2.gz RFYLAXIUXUECQP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062292025 1254259001 /nfs/dbraw/zinc/25/90/01/1254259001.db2.gz RFYLAXIUXUECQP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062292025 1254259012 /nfs/dbraw/zinc/25/90/12/1254259012.db2.gz RFYLAXIUXUECQP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063239886 1254322714 /nfs/dbraw/zinc/32/27/14/1254322714.db2.gz AWRPECUQJAZMEI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063239886 1254322724 /nfs/dbraw/zinc/32/27/24/1254322724.db2.gz AWRPECUQJAZMEI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)C1 ZINC001063239886 1254322735 /nfs/dbraw/zinc/32/27/35/1254322735.db2.gz AWRPECUQJAZMEI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063239886 1254322739 /nfs/dbraw/zinc/32/27/39/1254322739.db2.gz AWRPECUQJAZMEI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C3([NH+](C)C)CCC3)CCC2)O1 ZINC001063361823 1254334413 /nfs/dbraw/zinc/33/44/13/1254334413.db2.gz CKGQVDUVXLEOHC-HUUCEWRRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C3([NH+](C)C)CCC3)CCC2)O1 ZINC001063361823 1254334419 /nfs/dbraw/zinc/33/44/19/1254334419.db2.gz CKGQVDUVXLEOHC-HUUCEWRRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063497429 1254352418 /nfs/dbraw/zinc/35/24/18/1254352418.db2.gz RHJHRWIOJCFOHI-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063497429 1254352426 /nfs/dbraw/zinc/35/24/26/1254352426.db2.gz RHJHRWIOJCFOHI-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497429 1254352435 /nfs/dbraw/zinc/35/24/35/1254352435.db2.gz RHJHRWIOJCFOHI-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497429 1254352449 /nfs/dbraw/zinc/35/24/49/1254352449.db2.gz RHJHRWIOJCFOHI-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001065210178 1254491664 /nfs/dbraw/zinc/49/16/64/1254491664.db2.gz BCWPFGHKNMCRCZ-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CCO1 ZINC001065212470 1254493455 /nfs/dbraw/zinc/49/34/55/1254493455.db2.gz NLSCDDVUYSUXPU-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001065212470 1254493469 /nfs/dbraw/zinc/49/34/69/1254493469.db2.gz NLSCDDVUYSUXPU-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001065212470 1254493473 /nfs/dbraw/zinc/49/34/73/1254493473.db2.gz NLSCDDVUYSUXPU-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065291697 1254500239 /nfs/dbraw/zinc/50/02/39/1254500239.db2.gz XTQKYMHGEHPRRG-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065291697 1254500250 /nfs/dbraw/zinc/50/02/50/1254500250.db2.gz XTQKYMHGEHPRRG-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065291697 1254500256 /nfs/dbraw/zinc/50/02/56/1254500256.db2.gz XTQKYMHGEHPRRG-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CCO2)CC[N@H+]1C ZINC001065257709 1254500646 /nfs/dbraw/zinc/50/06/46/1254500646.db2.gz ZBGHUWOJPPBIAW-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CCO2)CC[NH+]1C ZINC001065257709 1254500661 /nfs/dbraw/zinc/50/06/61/1254500661.db2.gz ZBGHUWOJPPBIAW-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)CC[NH+]1C ZINC001065257709 1254500673 /nfs/dbraw/zinc/50/06/73/1254500673.db2.gz ZBGHUWOJPPBIAW-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001075798720 1254620200 /nfs/dbraw/zinc/62/02/00/1254620200.db2.gz LTOIYKULSOQCRO-IPMKNSEASA-N 2 1 357.502 0.837 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001077618254 1254783379 /nfs/dbraw/zinc/78/33/79/1254783379.db2.gz CZQUYDBGMLTCOO-FGTMMUONSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001077618254 1254783394 /nfs/dbraw/zinc/78/33/94/1254783394.db2.gz CZQUYDBGMLTCOO-FGTMMUONSA-N 2 1 365.449 0.362 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677020 1254859978 /nfs/dbraw/zinc/85/99/78/1254859978.db2.gz UPNZRDSMLHFPNO-KFKAGJAMSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677020 1254859994 /nfs/dbraw/zinc/85/99/94/1254859994.db2.gz UPNZRDSMLHFPNO-KFKAGJAMSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677020 1254860006 /nfs/dbraw/zinc/86/00/06/1254860006.db2.gz UPNZRDSMLHFPNO-KFKAGJAMSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677020 1254860018 /nfs/dbraw/zinc/86/00/18/1254860018.db2.gz UPNZRDSMLHFPNO-KFKAGJAMSA-N 2 1 360.502 0.898 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@H]1O)C2 ZINC001077682672 1254872592 /nfs/dbraw/zinc/87/25/92/1254872592.db2.gz DYDRFDCQGZTAQU-FVQBIDKESA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@H]1O)C2 ZINC001077682672 1254872600 /nfs/dbraw/zinc/87/26/00/1254872600.db2.gz DYDRFDCQGZTAQU-FVQBIDKESA-N 2 1 368.428 0.961 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077974969 1255139757 /nfs/dbraw/zinc/13/97/57/1255139757.db2.gz BSYUUYINYBOKJN-IPMKNSEASA-N 2 1 365.518 0.839 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078006116 1255162158 /nfs/dbraw/zinc/16/21/58/1255162158.db2.gz SMRPFCGWCKDLOB-QXAKKESOSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078006116 1255162161 /nfs/dbraw/zinc/16/21/61/1255162161.db2.gz SMRPFCGWCKDLOB-QXAKKESOSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078006116 1255162163 /nfs/dbraw/zinc/16/21/63/1255162163.db2.gz SMRPFCGWCKDLOB-QXAKKESOSA-N 2 1 360.502 0.756 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008759 1255165555 /nfs/dbraw/zinc/16/55/55/1255165555.db2.gz WBPFIKGLUMXZFC-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078008759 1255165558 /nfs/dbraw/zinc/16/55/58/1255165558.db2.gz WBPFIKGLUMXZFC-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078008759 1255165561 /nfs/dbraw/zinc/16/55/61/1255165561.db2.gz WBPFIKGLUMXZFC-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012126 1255169360 /nfs/dbraw/zinc/16/93/60/1255169360.db2.gz WKLHWEJOZFRGNM-IXDOHACOSA-N 2 1 363.433 0.116 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012126 1255169364 /nfs/dbraw/zinc/16/93/64/1255169364.db2.gz WKLHWEJOZFRGNM-IXDOHACOSA-N 2 1 363.433 0.116 20 0 FCADMP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001078062950 1255199668 /nfs/dbraw/zinc/19/96/68/1255199668.db2.gz XBAXFXDLSZFVDE-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175725 1255288917 /nfs/dbraw/zinc/28/89/17/1255288917.db2.gz JUSOQMPPJZYUJO-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175725 1255288927 /nfs/dbraw/zinc/28/89/27/1255288927.db2.gz JUSOQMPPJZYUJO-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175725 1255288933 /nfs/dbraw/zinc/28/89/33/1255288933.db2.gz JUSOQMPPJZYUJO-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175725 1255288941 /nfs/dbraw/zinc/28/89/41/1255288941.db2.gz JUSOQMPPJZYUJO-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209874 1255326016 /nfs/dbraw/zinc/32/60/16/1255326016.db2.gz NDZBTLVICUAOJL-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209874 1255326026 /nfs/dbraw/zinc/32/60/26/1255326026.db2.gz NDZBTLVICUAOJL-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209874 1255326036 /nfs/dbraw/zinc/32/60/36/1255326036.db2.gz NDZBTLVICUAOJL-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209874 1255326044 /nfs/dbraw/zinc/32/60/44/1255326044.db2.gz NDZBTLVICUAOJL-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001078403506 1255407382 /nfs/dbraw/zinc/40/73/82/1255407382.db2.gz ARSTUHAHFKYCMX-IXDOHACOSA-N 2 1 364.494 0.253 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405077 1255408618 /nfs/dbraw/zinc/40/86/18/1255408618.db2.gz DEZYFSSOLYTNJJ-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405077 1255408623 /nfs/dbraw/zinc/40/86/23/1255408623.db2.gz DEZYFSSOLYTNJJ-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)nn1C ZINC001078405751 1255408919 /nfs/dbraw/zinc/40/89/19/1255408919.db2.gz XDGKIDZJXDLKNK-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001078482731 1255418239 /nfs/dbraw/zinc/41/82/39/1255418239.db2.gz YCRBMLZVSCYUBS-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001078482731 1255418242 /nfs/dbraw/zinc/41/82/42/1255418242.db2.gz YCRBMLZVSCYUBS-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+](C)CC(C)(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001078482731 1255418243 /nfs/dbraw/zinc/41/82/43/1255418243.db2.gz YCRBMLZVSCYUBS-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+](C)CC(C)(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001078482731 1255418244 /nfs/dbraw/zinc/41/82/44/1255418244.db2.gz YCRBMLZVSCYUBS-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243110 1255484420 /nfs/dbraw/zinc/48/44/20/1255484420.db2.gz LVDDZVCOLBBEHV-WNRNVDISSA-N 2 1 365.518 0.648 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079273533 1255497449 /nfs/dbraw/zinc/49/74/49/1255497449.db2.gz FEOFGIWAOCPJBE-DLBZAZTESA-N 2 1 362.474 0.513 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079320860 1255507293 /nfs/dbraw/zinc/50/72/93/1255507293.db2.gz OFVPAZAUVHTJHX-GOEBONIOSA-N 2 1 359.405 0.400 20 0 FCADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080140076 1255758334 /nfs/dbraw/zinc/75/83/34/1255758334.db2.gz HWHINKGVFREDFK-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080140076 1255758341 /nfs/dbraw/zinc/75/83/41/1255758341.db2.gz HWHINKGVFREDFK-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080140076 1255758346 /nfs/dbraw/zinc/75/83/46/1255758346.db2.gz HWHINKGVFREDFK-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080140076 1255758353 /nfs/dbraw/zinc/75/83/53/1255758353.db2.gz HWHINKGVFREDFK-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080449767 1255894255 /nfs/dbraw/zinc/89/42/55/1255894255.db2.gz YLFFEKQTFCAATM-IXDOHACOSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080449767 1255894261 /nfs/dbraw/zinc/89/42/61/1255894261.db2.gz YLFFEKQTFCAATM-IXDOHACOSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080449767 1255894274 /nfs/dbraw/zinc/89/42/74/1255894274.db2.gz YLFFEKQTFCAATM-IXDOHACOSA-N 2 1 363.506 0.412 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080557540 1255929482 /nfs/dbraw/zinc/92/94/82/1255929482.db2.gz YRQBDDZFIMLAEA-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080557540 1255929488 /nfs/dbraw/zinc/92/94/88/1255929488.db2.gz YRQBDDZFIMLAEA-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080557540 1255929496 /nfs/dbraw/zinc/92/94/96/1255929496.db2.gz YRQBDDZFIMLAEA-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080561429 1255930906 /nfs/dbraw/zinc/93/09/06/1255930906.db2.gz UHJRGYZFXXOCMZ-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080561429 1255930916 /nfs/dbraw/zinc/93/09/16/1255930916.db2.gz UHJRGYZFXXOCMZ-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080561429 1255930921 /nfs/dbraw/zinc/93/09/21/1255930921.db2.gz UHJRGYZFXXOCMZ-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080561429 1255930930 /nfs/dbraw/zinc/93/09/30/1255930930.db2.gz UHJRGYZFXXOCMZ-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787689 1256038544 /nfs/dbraw/zinc/03/85/44/1256038544.db2.gz NYTGYZJUCMSRND-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787689 1256038548 /nfs/dbraw/zinc/03/85/48/1256038548.db2.gz NYTGYZJUCMSRND-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786534 1256038787 /nfs/dbraw/zinc/03/87/87/1256038787.db2.gz PENHHFSPJRAZRH-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786631 1256039070 /nfs/dbraw/zinc/03/90/70/1256039070.db2.gz TVYXLTXUBIQFFU-BFYDXBDKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786631 1256039074 /nfs/dbraw/zinc/03/90/74/1256039074.db2.gz TVYXLTXUBIQFFU-BFYDXBDKSA-N 2 1 362.518 0.966 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979190 1256123806 /nfs/dbraw/zinc/12/38/06/1256123806.db2.gz FOHWIEVEUMGCMR-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979190 1256123817 /nfs/dbraw/zinc/12/38/17/1256123817.db2.gz FOHWIEVEUMGCMR-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979190 1256123824 /nfs/dbraw/zinc/12/38/24/1256123824.db2.gz FOHWIEVEUMGCMR-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979190 1256123826 /nfs/dbraw/zinc/12/38/26/1256123826.db2.gz FOHWIEVEUMGCMR-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097685 1256177237 /nfs/dbraw/zinc/17/72/37/1256177237.db2.gz CDSBIDHFKBNLAR-RCCFBDPRSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081097685 1256177239 /nfs/dbraw/zinc/17/72/39/1256177239.db2.gz CDSBIDHFKBNLAR-RCCFBDPRSA-N 2 1 368.485 0.994 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081125791 1256187810 /nfs/dbraw/zinc/18/78/10/1256187810.db2.gz QKJLWASHMJBZSI-IPMKNSEASA-N 2 1 371.485 0.390 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2ccccc2)n1 ZINC001081226712 1256211940 /nfs/dbraw/zinc/21/19/40/1256211940.db2.gz GSMIPWBGEJYSGQ-RBUKOAKNSA-N 2 1 368.485 0.995 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799180 1256376749 /nfs/dbraw/zinc/37/67/49/1256376749.db2.gz GDPLIMSNYBOTCY-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799180 1256376755 /nfs/dbraw/zinc/37/67/55/1256376755.db2.gz GDPLIMSNYBOTCY-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799180 1256376762 /nfs/dbraw/zinc/37/67/62/1256376762.db2.gz GDPLIMSNYBOTCY-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799180 1256376769 /nfs/dbraw/zinc/37/67/69/1256376769.db2.gz GDPLIMSNYBOTCY-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959515 1256474586 /nfs/dbraw/zinc/47/45/86/1256474586.db2.gz LBCVNPQSDVDTPJ-SYJBPTKTSA-N 2 1 363.502 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959515 1256474589 /nfs/dbraw/zinc/47/45/89/1256474589.db2.gz LBCVNPQSDVDTPJ-SYJBPTKTSA-N 2 1 363.502 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959515 1256474593 /nfs/dbraw/zinc/47/45/93/1256474593.db2.gz LBCVNPQSDVDTPJ-SYJBPTKTSA-N 2 1 363.502 0.855 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018678 1256499225 /nfs/dbraw/zinc/49/92/25/1256499225.db2.gz ODSWJKCHRIDYON-IAGOWNOFSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018678 1256499227 /nfs/dbraw/zinc/49/92/27/1256499227.db2.gz ODSWJKCHRIDYON-IAGOWNOFSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134929 1256552333 /nfs/dbraw/zinc/55/23/33/1256552333.db2.gz IQOPGUCSPARQFA-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134929 1256552339 /nfs/dbraw/zinc/55/23/39/1256552339.db2.gz IQOPGUCSPARQFA-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082134929 1256552343 /nfs/dbraw/zinc/55/23/43/1256552343.db2.gz IQOPGUCSPARQFA-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082134929 1256552350 /nfs/dbraw/zinc/55/23/50/1256552350.db2.gz IQOPGUCSPARQFA-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082325852 1256665690 /nfs/dbraw/zinc/66/56/90/1256665690.db2.gz DFVZXFYKTGTOEU-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082325852 1256665697 /nfs/dbraw/zinc/66/56/97/1256665697.db2.gz DFVZXFYKTGTOEU-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082325852 1256665704 /nfs/dbraw/zinc/66/57/04/1256665704.db2.gz DFVZXFYKTGTOEU-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379328 1256730527 /nfs/dbraw/zinc/73/05/27/1256730527.db2.gz SBJHCGZGZGKXDC-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379328 1256730535 /nfs/dbraw/zinc/73/05/35/1256730535.db2.gz SBJHCGZGZGKXDC-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379328 1256730541 /nfs/dbraw/zinc/73/05/41/1256730541.db2.gz SBJHCGZGZGKXDC-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379328 1256730544 /nfs/dbraw/zinc/73/05/44/1256730544.db2.gz SBJHCGZGZGKXDC-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082507388 1256793571 /nfs/dbraw/zinc/79/35/71/1256793571.db2.gz OVUPNUJCSJUFDT-OAGGEKHMSA-N 2 1 363.510 0.892 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507388 1256793575 /nfs/dbraw/zinc/79/35/75/1256793575.db2.gz OVUPNUJCSJUFDT-OAGGEKHMSA-N 2 1 363.510 0.892 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520157 1256802675 /nfs/dbraw/zinc/80/26/75/1256802675.db2.gz DOMHBSZPZCJDQC-KLHDSHLOSA-N 2 1 363.510 0.750 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520157 1256802685 /nfs/dbraw/zinc/80/26/85/1256802685.db2.gz DOMHBSZPZCJDQC-KLHDSHLOSA-N 2 1 363.510 0.750 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)ncn1 ZINC001082558746 1256858494 /nfs/dbraw/zinc/85/84/94/1256858494.db2.gz FGYOWVSYCBMLPW-OLMNPRSZSA-N 2 1 371.489 0.548 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082612652 1256923693 /nfs/dbraw/zinc/92/36/93/1256923693.db2.gz ZAOZLLUTMBLJTG-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082699581 1256991625 /nfs/dbraw/zinc/99/16/25/1256991625.db2.gz IBPFSIHNDDIRDP-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082703238 1256994591 /nfs/dbraw/zinc/99/45/91/1256994591.db2.gz GHYISRJZYIMWNA-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082703238 1256994595 /nfs/dbraw/zinc/99/45/95/1256994595.db2.gz GHYISRJZYIMWNA-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082742171 1257022086 /nfs/dbraw/zinc/02/20/86/1257022086.db2.gz UEQHDAFFZSXYQU-RRFJBIMHSA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082742171 1257022094 /nfs/dbraw/zinc/02/20/94/1257022094.db2.gz UEQHDAFFZSXYQU-RRFJBIMHSA-N 2 1 362.478 0.087 20 0 FCADMP NC(=O)C1CCN(C(=O)CN[C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC001330750500 1266088801 /nfs/dbraw/zinc/08/88/01/1266088801.db2.gz WESHSCKADQBNED-QGZVFWFLSA-N 2 1 355.442 0.938 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082863136 1257113513 /nfs/dbraw/zinc/11/35/13/1257113513.db2.gz NCFZTLLHPQVHAV-HUUCEWRRSA-N 2 1 358.490 0.647 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082921142 1257145314 /nfs/dbraw/zinc/14/53/14/1257145314.db2.gz YNNPRYBACMAANJ-KBAYOESNSA-N 2 1 370.497 0.964 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023834 1257214792 /nfs/dbraw/zinc/21/47/92/1257214792.db2.gz QVAKGLFNLWAZPV-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023834 1257214795 /nfs/dbraw/zinc/21/47/95/1257214795.db2.gz QVAKGLFNLWAZPV-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023834 1257214796 /nfs/dbraw/zinc/21/47/96/1257214796.db2.gz QVAKGLFNLWAZPV-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023834 1257214802 /nfs/dbraw/zinc/21/48/02/1257214802.db2.gz QVAKGLFNLWAZPV-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP Cn1c[nH+]cc1CCn1cc(CN2CCC([NH2+]C3CCOCC3)CC2)nn1 ZINC001330796192 1266099723 /nfs/dbraw/zinc/09/97/23/1266099723.db2.gz VSBUIXYXTXMYPC-UHFFFAOYSA-N 2 1 373.505 0.987 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001083083874 1257283858 /nfs/dbraw/zinc/28/38/58/1257283858.db2.gz POZLXFINHJPZCR-GBESFXJTSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085094 1257287165 /nfs/dbraw/zinc/28/71/65/1257287165.db2.gz ZMMBWZOSNNZERZ-HYVNUMGLSA-N 2 1 367.469 0.718 20 0 FCADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@@H+](C)CCN1C ZINC001521342331 1266113757 /nfs/dbraw/zinc/11/37/57/1266113757.db2.gz FYYPASUKPTWLAJ-RDJZCZTQSA-N 2 1 351.495 0.987 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001521342604 1266113956 /nfs/dbraw/zinc/11/39/56/1266113956.db2.gz LZIQEQRDFLEKEV-RCCFBDPRSA-N 2 1 369.554 0.763 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001083733427 1257470341 /nfs/dbraw/zinc/47/03/41/1257470341.db2.gz NNNXXQBOXVJSNM-IXDOHACOSA-N 2 1 365.474 0.931 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482812 1266126129 /nfs/dbraw/zinc/12/61/29/1266126129.db2.gz VPLYDWCTLJCFLX-GDBMZVCRSA-N 2 1 350.463 0.645 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936918 1257722079 /nfs/dbraw/zinc/72/20/79/1257722079.db2.gz BSYUUYINYBOKJN-QRVBRYPASA-N 2 1 365.518 0.839 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953290 1257741504 /nfs/dbraw/zinc/74/15/04/1257741504.db2.gz NIWDXVBAVARNFA-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953290 1257741511 /nfs/dbraw/zinc/74/15/11/1257741511.db2.gz NIWDXVBAVARNFA-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953290 1257741519 /nfs/dbraw/zinc/74/15/19/1257741519.db2.gz NIWDXVBAVARNFA-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083953433 1257741732 /nfs/dbraw/zinc/74/17/32/1257741732.db2.gz SMRPFCGWCKDLOB-QRQLOZEOSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001083953433 1257741741 /nfs/dbraw/zinc/74/17/41/1257741741.db2.gz SMRPFCGWCKDLOB-QRQLOZEOSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001083953433 1257741747 /nfs/dbraw/zinc/74/17/47/1257741747.db2.gz SMRPFCGWCKDLOB-QRQLOZEOSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001083954925 1257745028 /nfs/dbraw/zinc/74/50/28/1257745028.db2.gz ONYZHIAJAQONOS-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083954925 1257745036 /nfs/dbraw/zinc/74/50/36/1257745036.db2.gz ONYZHIAJAQONOS-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083954925 1257745041 /nfs/dbraw/zinc/74/50/41/1257745041.db2.gz ONYZHIAJAQONOS-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959138 1257749118 /nfs/dbraw/zinc/74/91/18/1257749118.db2.gz IGMXXHQGSLCUQB-MOPGFXCFSA-N 2 1 371.481 0.516 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1)C1CCC1 ZINC001083961690 1257753945 /nfs/dbraw/zinc/75/39/45/1257753945.db2.gz FASDJYRYUTZAMV-NJAFHUGGSA-N 2 1 362.474 0.738 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077392 1257903263 /nfs/dbraw/zinc/90/32/63/1257903263.db2.gz SSWCNMYHLNZQCF-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077392 1257903266 /nfs/dbraw/zinc/90/32/66/1257903266.db2.gz SSWCNMYHLNZQCF-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077392 1257903268 /nfs/dbraw/zinc/90/32/68/1257903268.db2.gz SSWCNMYHLNZQCF-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@H]2O)C1 ZINC001084077392 1257903271 /nfs/dbraw/zinc/90/32/71/1257903271.db2.gz SSWCNMYHLNZQCF-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084091127 1257916093 /nfs/dbraw/zinc/91/60/93/1257916093.db2.gz ZPOIGXSBOPWLTC-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001084355194 1258046530 /nfs/dbraw/zinc/04/65/30/1258046530.db2.gz KKLLRPSSMKFCAZ-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001084355194 1258046538 /nfs/dbraw/zinc/04/65/38/1258046538.db2.gz KKLLRPSSMKFCAZ-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001084355194 1258046547 /nfs/dbraw/zinc/04/65/47/1258046547.db2.gz KKLLRPSSMKFCAZ-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409890 1258088539 /nfs/dbraw/zinc/08/85/39/1258088539.db2.gz NRBNUNRIIZEMMK-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409890 1258088548 /nfs/dbraw/zinc/08/85/48/1258088548.db2.gz NRBNUNRIIZEMMK-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001084409890 1258088555 /nfs/dbraw/zinc/08/85/55/1258088555.db2.gz NRBNUNRIIZEMMK-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001084446798 1258116534 /nfs/dbraw/zinc/11/65/34/1258116534.db2.gz PIRRAIXIGGGWOG-VDHUWJSZSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001084446798 1258116538 /nfs/dbraw/zinc/11/65/38/1258116538.db2.gz PIRRAIXIGGGWOG-VDHUWJSZSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001084446798 1258116541 /nfs/dbraw/zinc/11/65/41/1258116541.db2.gz PIRRAIXIGGGWOG-VDHUWJSZSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001084446798 1258116546 /nfs/dbraw/zinc/11/65/46/1258116546.db2.gz PIRRAIXIGGGWOG-VDHUWJSZSA-N 2 1 374.485 0.137 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001084450492 1258118766 /nfs/dbraw/zinc/11/87/66/1258118766.db2.gz KSDAHAVNGCYINB-KZNAEPCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001331185026 1266165620 /nfs/dbraw/zinc/16/56/20/1266165620.db2.gz NDYNZNCVERJHLZ-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084752074 1258290154 /nfs/dbraw/zinc/29/01/54/1258290154.db2.gz RMQKEYUWHRGVIM-KZNAEPCWSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084752074 1258290158 /nfs/dbraw/zinc/29/01/58/1258290158.db2.gz RMQKEYUWHRGVIM-KZNAEPCWSA-N 2 1 362.518 0.870 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331219945 1266174534 /nfs/dbraw/zinc/17/45/34/1266174534.db2.gz HKLGVTKFOZQEFM-QAQDUYKDSA-N 2 1 368.522 0.437 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001084830206 1258375901 /nfs/dbraw/zinc/37/59/01/1258375901.db2.gz OJMCQQNHPPSNKM-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001084830206 1258375912 /nfs/dbraw/zinc/37/59/12/1258375912.db2.gz OJMCQQNHPPSNKM-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC001084830206 1258375918 /nfs/dbraw/zinc/37/59/18/1258375918.db2.gz OJMCQQNHPPSNKM-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001084830206 1258375927 /nfs/dbraw/zinc/37/59/27/1258375927.db2.gz OJMCQQNHPPSNKM-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21)NC1CC1 ZINC001084941354 1258454301 /nfs/dbraw/zinc/45/43/01/1258454301.db2.gz CXCBACRXOHTOKL-NJAFHUGGSA-N 2 1 360.502 0.530 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCC4)[C@H]3C2)CC[N@H+]1C ZINC001084944472 1258456830 /nfs/dbraw/zinc/45/68/30/1258456830.db2.gz PQSZSYCQPGPTQM-XDNAFOTISA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)CC[NH+]1C ZINC001084944472 1258456832 /nfs/dbraw/zinc/45/68/32/1258456832.db2.gz PQSZSYCQPGPTQM-XDNAFOTISA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)CC[NH+]1C ZINC001084944472 1258456836 /nfs/dbraw/zinc/45/68/36/1258456836.db2.gz PQSZSYCQPGPTQM-XDNAFOTISA-N 2 1 362.518 0.872 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC001331306577 1266188472 /nfs/dbraw/zinc/18/84/72/1266188472.db2.gz WFOCDSPNOZYGRH-QAPCUYQASA-N 2 1 374.485 0.578 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)cn1 ZINC001085075997 1258571497 /nfs/dbraw/zinc/57/14/97/1258571497.db2.gz BTBUSXOUEYFYDO-MSOLQXFVSA-N 2 1 357.502 0.981 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093231 1258587280 /nfs/dbraw/zinc/58/72/80/1258587280.db2.gz NLZRPOMFCPXSKU-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093231 1258587285 /nfs/dbraw/zinc/58/72/85/1258587285.db2.gz NLZRPOMFCPXSKU-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085093231 1258587289 /nfs/dbraw/zinc/58/72/89/1258587289.db2.gz NLZRPOMFCPXSKU-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085093231 1258587296 /nfs/dbraw/zinc/58/72/96/1258587296.db2.gz NLZRPOMFCPXSKU-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092988 1258588299 /nfs/dbraw/zinc/58/82/99/1258588299.db2.gz YXJNMCOKVGJVIV-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092988 1258588303 /nfs/dbraw/zinc/58/83/03/1258588303.db2.gz YXJNMCOKVGJVIV-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092988 1258588309 /nfs/dbraw/zinc/58/83/09/1258588309.db2.gz YXJNMCOKVGJVIV-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP CCC[C@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC001521877500 1266198174 /nfs/dbraw/zinc/19/81/74/1266198174.db2.gz UKYBKGLQFVWDMX-HNNXBMFYSA-N 2 1 352.479 0.844 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331395407 1266206212 /nfs/dbraw/zinc/20/62/12/1266206212.db2.gz DIQDSMIZNRKYRS-KSZLIROESA-N 2 1 367.538 0.600 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201113 1258723660 /nfs/dbraw/zinc/72/36/60/1258723660.db2.gz LKZFQHIVLFBDCR-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088201904 1258724531 /nfs/dbraw/zinc/72/45/31/1258724531.db2.gz ALSNEHXEZJCFNV-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088201904 1258724538 /nfs/dbraw/zinc/72/45/38/1258724538.db2.gz ALSNEHXEZJCFNV-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)C1=O ZINC001088211988 1258735127 /nfs/dbraw/zinc/73/51/27/1258735127.db2.gz JGCWHQYUAVODMI-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941766 1258766372 /nfs/dbraw/zinc/76/63/72/1258766372.db2.gz LFQPONXYRDYTRE-HRCADAONSA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941766 1258766376 /nfs/dbraw/zinc/76/63/76/1258766376.db2.gz LFQPONXYRDYTRE-HRCADAONSA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941766 1258766379 /nfs/dbraw/zinc/76/63/79/1258766379.db2.gz LFQPONXYRDYTRE-HRCADAONSA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941766 1258766384 /nfs/dbraw/zinc/76/63/84/1258766384.db2.gz LFQPONXYRDYTRE-HRCADAONSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734657 1258821623 /nfs/dbraw/zinc/82/16/23/1258821623.db2.gz DIBVBNDGTUQJFS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734657 1258821629 /nfs/dbraw/zinc/82/16/29/1258821629.db2.gz DIBVBNDGTUQJFS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734657 1258821640 /nfs/dbraw/zinc/82/16/40/1258821640.db2.gz DIBVBNDGTUQJFS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734872 1258825402 /nfs/dbraw/zinc/82/54/02/1258825402.db2.gz LHRXVHDALGBFPF-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734872 1258825413 /nfs/dbraw/zinc/82/54/13/1258825413.db2.gz LHRXVHDALGBFPF-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734872 1258825424 /nfs/dbraw/zinc/82/54/24/1258825424.db2.gz LHRXVHDALGBFPF-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773511 1258840109 /nfs/dbraw/zinc/84/01/09/1258840109.db2.gz OUNVFFHYYXFFNK-HZPDHXFCSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371753 1258917583 /nfs/dbraw/zinc/91/75/83/1258917583.db2.gz DWUQAZMEZNPIDJ-ZIAGYGMSSA-N 2 1 365.478 0.560 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106662897 1258935782 /nfs/dbraw/zinc/93/57/82/1258935782.db2.gz JAZXPTUPIOMGNC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106765615 1258957566 /nfs/dbraw/zinc/95/75/66/1258957566.db2.gz LYPQVORZXKDKCS-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106910995 1258993931 /nfs/dbraw/zinc/99/39/31/1258993931.db2.gz ZNUVBIAOFVYFPS-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106909084 1258994519 /nfs/dbraw/zinc/99/45/19/1258994519.db2.gz DOKLJVYFKHHTGB-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106986649 1259011835 /nfs/dbraw/zinc/01/18/35/1259011835.db2.gz YUUQQSQQGCGGIH-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106985951 1259011865 /nfs/dbraw/zinc/01/18/65/1259011865.db2.gz AGFINQJODGFLHL-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001107042697 1259024255 /nfs/dbraw/zinc/02/42/55/1259024255.db2.gz YMERNTMEIJYJSY-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001107071054 1259027519 /nfs/dbraw/zinc/02/75/19/1259027519.db2.gz CLNHHDVCSWRSLR-HZPDHXFCSA-N 2 1 363.510 0.660 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075320 1259027956 /nfs/dbraw/zinc/02/79/56/1259027956.db2.gz VNGOBWOZGJFAKI-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075320 1259027961 /nfs/dbraw/zinc/02/79/61/1259027961.db2.gz VNGOBWOZGJFAKI-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCCOC)C3)nn2)CC[N@@H+]1C ZINC001107173060 1259035953 /nfs/dbraw/zinc/03/59/53/1259035953.db2.gz ZLMGEGVTXUFOHQ-DLBZAZTESA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCCOC)C3)nn2)CC[N@H+]1C ZINC001107173060 1259035964 /nfs/dbraw/zinc/03/59/64/1259035964.db2.gz ZLMGEGVTXUFOHQ-DLBZAZTESA-N 2 1 364.494 0.518 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107462135 1259096497 /nfs/dbraw/zinc/09/64/97/1259096497.db2.gz UVKBKDJLLNJMEK-YQVWRLOYSA-N 2 1 365.518 0.983 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107546853 1259113269 /nfs/dbraw/zinc/11/32/69/1259113269.db2.gz RHGMCIZKHUNXND-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107546853 1259113274 /nfs/dbraw/zinc/11/32/74/1259113274.db2.gz RHGMCIZKHUNXND-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107546853 1259113276 /nfs/dbraw/zinc/11/32/76/1259113276.db2.gz RHGMCIZKHUNXND-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001107598467 1259129738 /nfs/dbraw/zinc/12/97/38/1259129738.db2.gz CPUAFONJLJULSS-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107598467 1259129742 /nfs/dbraw/zinc/12/97/42/1259129742.db2.gz CPUAFONJLJULSS-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107598467 1259129745 /nfs/dbraw/zinc/12/97/45/1259129745.db2.gz CPUAFONJLJULSS-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107638795 1259140253 /nfs/dbraw/zinc/14/02/53/1259140253.db2.gz MPYWNRMFNQHEMU-ZHALLVOQSA-N 2 1 369.506 0.077 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107638795 1259140257 /nfs/dbraw/zinc/14/02/57/1259140257.db2.gz MPYWNRMFNQHEMU-ZHALLVOQSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107638795 1259140261 /nfs/dbraw/zinc/14/02/61/1259140261.db2.gz MPYWNRMFNQHEMU-ZHALLVOQSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107638795 1259140264 /nfs/dbraw/zinc/14/02/64/1259140264.db2.gz MPYWNRMFNQHEMU-ZHALLVOQSA-N 2 1 369.506 0.077 20 0 FCADMP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[nH]1 ZINC001127571344 1259181127 /nfs/dbraw/zinc/18/11/27/1259181127.db2.gz QBBMZCRDSFGJRB-MAZHCROVSA-N 2 1 364.494 0.627 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCCc2ccccc2)CC[N@H+]1C ZINC001127643568 1259183555 /nfs/dbraw/zinc/18/35/55/1259183555.db2.gz ATTOTKQWYSHONX-SJLPKXTDSA-N 2 1 360.502 0.781 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659765 1259184639 /nfs/dbraw/zinc/18/46/39/1259184639.db2.gz JUVLTEGZQBZUEP-JJRVBVJISA-N 2 1 364.465 0.876 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1-c1ccccc1 ZINC001127659592 1259184756 /nfs/dbraw/zinc/18/47/56/1259184756.db2.gz HEWURPZKMPDUSH-IIAWOOMASA-N 2 1 357.462 0.769 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1-c1ccccc1 ZINC001127659592 1259184759 /nfs/dbraw/zinc/18/47/59/1259184759.db2.gz HEWURPZKMPDUSH-IIAWOOMASA-N 2 1 357.462 0.769 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@H+]1C ZINC001127695754 1259184802 /nfs/dbraw/zinc/18/48/02/1259184802.db2.gz XENJAUOMXGRXRH-FUHWJXTLSA-N 2 1 371.485 0.833 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129029669 1259292011 /nfs/dbraw/zinc/29/20/11/1259292011.db2.gz HWJJSVZHIZNDSF-XHSDSOJGSA-N 2 1 370.473 0.336 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001129224089 1259347940 /nfs/dbraw/zinc/34/79/40/1259347940.db2.gz SDYCAQBVROKKHS-SJORKVTESA-N 2 1 360.437 0.911 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001129224089 1259347947 /nfs/dbraw/zinc/34/79/47/1259347947.db2.gz SDYCAQBVROKKHS-SJORKVTESA-N 2 1 360.437 0.911 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266745 1259359794 /nfs/dbraw/zinc/35/97/94/1259359794.db2.gz PZLGNAZSZMMIIY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266745 1259359799 /nfs/dbraw/zinc/35/97/99/1259359799.db2.gz PZLGNAZSZMMIIY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266745 1259359805 /nfs/dbraw/zinc/35/98/05/1259359805.db2.gz PZLGNAZSZMMIIY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+](C)C[C@@H](O)CO)c1C ZINC001141568094 1259379724 /nfs/dbraw/zinc/37/97/24/1259379724.db2.gz OANUDBIPOUJNKE-OAHLLOKOSA-N 2 1 354.495 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)C[C@@H](O)CO)c1C ZINC001141568094 1259379727 /nfs/dbraw/zinc/37/97/27/1259379727.db2.gz OANUDBIPOUJNKE-OAHLLOKOSA-N 2 1 354.495 0.488 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001200554378 1259416642 /nfs/dbraw/zinc/41/66/42/1259416642.db2.gz JEGLGTWWJMEEOA-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200644129 1259419214 /nfs/dbraw/zinc/41/92/14/1259419214.db2.gz JSTPFUDAVRQMNJ-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786591 1259419944 /nfs/dbraw/zinc/41/99/44/1259419944.db2.gz HCMSOJODAJUGKD-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786591 1259419947 /nfs/dbraw/zinc/41/99/47/1259419947.db2.gz HCMSOJODAJUGKD-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP CC(C)COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787191 1259420526 /nfs/dbraw/zinc/42/05/26/1259420526.db2.gz OEEWPNHLMDECBX-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787191 1259420531 /nfs/dbraw/zinc/42/05/31/1259420531.db2.gz OEEWPNHLMDECBX-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCC3CC3)C2)O1 ZINC001200787255 1259421021 /nfs/dbraw/zinc/42/10/21/1259421021.db2.gz QIEBIANLZLUPAY-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCC3CC3)C2)O1 ZINC001200787255 1259421027 /nfs/dbraw/zinc/42/10/27/1259421027.db2.gz QIEBIANLZLUPAY-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410015 1259495557 /nfs/dbraw/zinc/49/55/57/1259495557.db2.gz LYTSZPHXXAWEGZ-INMHGKMJSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410015 1259495559 /nfs/dbraw/zinc/49/55/59/1259495559.db2.gz LYTSZPHXXAWEGZ-INMHGKMJSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418826 1259499076 /nfs/dbraw/zinc/49/90/76/1259499076.db2.gz NJDRPDKMWLLZSU-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418826 1259499079 /nfs/dbraw/zinc/49/90/79/1259499079.db2.gz NJDRPDKMWLLZSU-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418826 1259499082 /nfs/dbraw/zinc/49/90/82/1259499082.db2.gz NJDRPDKMWLLZSU-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458616 1259515048 /nfs/dbraw/zinc/51/50/48/1259515048.db2.gz LLCZFVJRDKAESB-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001233190175 1259547854 /nfs/dbraw/zinc/54/78/54/1259547854.db2.gz NBUATEOJVPCUSY-NVXWUHKLSA-N 2 1 362.474 0.707 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(C(=O)NCC[NH3+])c3)C[C@@H]2N1 ZINC001235284155 1259569094 /nfs/dbraw/zinc/56/90/94/1259569094.db2.gz SVFSBQWFKNRELW-ZACQAIPSSA-N 2 1 360.458 0.101 20 0 FCADMP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCCO[C@]3(CNCCOC3)C2)c1 ZINC001235198376 1259569616 /nfs/dbraw/zinc/56/96/16/1259569616.db2.gz DLANSDFARIAGJW-HXUWFJFHSA-N 2 1 360.502 0.677 20 0 FCADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCO[C@]3(CNCCOC3)C2)c1 ZINC001235198376 1259569625 /nfs/dbraw/zinc/56/96/25/1259569625.db2.gz DLANSDFARIAGJW-HXUWFJFHSA-N 2 1 360.502 0.677 20 0 FCADMP CCOC(=O)c1nc[nH]c1C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236027290 1259586336 /nfs/dbraw/zinc/58/63/36/1259586336.db2.gz LMJQUUZBYGXMQW-WLHTULFXSA-N 2 1 362.430 0.417 20 0 FCADMP CCOC(=O)c1nc[nH]c1C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236027290 1259586341 /nfs/dbraw/zinc/58/63/41/1259586341.db2.gz LMJQUUZBYGXMQW-WLHTULFXSA-N 2 1 362.430 0.417 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccc(S(=O)(=O)C4C[NH2+]C4)cc3)cn2)CC1 ZINC001235919309 1259586696 /nfs/dbraw/zinc/58/66/96/1259586696.db2.gz OGCXAGVFUBZYDZ-UHFFFAOYSA-N 2 1 373.482 0.641 20 0 FCADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCC[NH3+])c2)CCC12C[NH2+]C2 ZINC001237430186 1259597581 /nfs/dbraw/zinc/59/75/81/1259597581.db2.gz JUBSCNASAJVBHB-KRWDZBQOSA-N 3 1 374.485 0.350 20 0 FCADMP Cc1cnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)nc1 ZINC001237803027 1259610012 /nfs/dbraw/zinc/61/00/12/1259610012.db2.gz AXBORXISYRTING-UHFFFAOYSA-N 2 1 360.506 0.455 20 0 FCADMP Cc1cnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)nc1 ZINC001237803027 1259610015 /nfs/dbraw/zinc/61/00/15/1259610015.db2.gz AXBORXISYRTING-UHFFFAOYSA-N 2 1 360.506 0.455 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3ncnc4c3CC[NH2+]CC4)cc2)CC1 ZINC001242096078 1259634815 /nfs/dbraw/zinc/63/48/15/1259634815.db2.gz YDDVJJHKBOYWMY-UHFFFAOYSA-N 2 1 366.469 0.724 20 0 FCADMP OCCc1ccc(OC[C@H](O)CNC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001245986704 1259643697 /nfs/dbraw/zinc/64/36/97/1259643697.db2.gz PYHFQHSXJBIDPK-QZTJIDSGSA-N 2 1 363.502 0.425 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]1C2 ZINC001246048232 1259646047 /nfs/dbraw/zinc/64/60/47/1259646047.db2.gz WAVLOLFZYUPYIJ-RTOBDTNUSA-N 2 1 364.442 0.488 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC001246691523 1259661623 /nfs/dbraw/zinc/66/16/23/1259661623.db2.gz YHJJTQSZXQOKGL-MLHJIOFPSA-N 2 1 362.518 0.476 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N(c2[nH+]ccn2C)[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246697507 1259662401 /nfs/dbraw/zinc/66/24/01/1259662401.db2.gz IBFALCNZCWYINW-KFWWJZLASA-N 2 1 363.462 0.041 20 0 FCADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705043 1259664527 /nfs/dbraw/zinc/66/45/27/1259664527.db2.gz VRMXGKXZOBJAQX-HOTGVXAUSA-N 3 1 360.506 0.232 20 0 FCADMP c1cncc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709146 1259666490 /nfs/dbraw/zinc/66/64/90/1259666490.db2.gz SDVYSRVBGUIOGA-PXNSSMCTSA-N 2 1 357.502 0.847 20 0 FCADMP COC(=O)c1cc2c(nc1N(C)C)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246722181 1259667897 /nfs/dbraw/zinc/66/78/97/1259667897.db2.gz PQTPETIGABBZOO-OAHLLOKOSA-N 2 1 373.501 0.429 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732784 1259673612 /nfs/dbraw/zinc/67/36/12/1259673612.db2.gz HZQJCHZCYPCSMR-WRWLIDTKSA-N 2 1 371.485 0.862 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732784 1259673616 /nfs/dbraw/zinc/67/36/16/1259673616.db2.gz HZQJCHZCYPCSMR-WRWLIDTKSA-N 2 1 371.485 0.862 20 0 FCADMP O=C(COC[C@]12COC[C@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCCC1 ZINC001246739285 1259674654 /nfs/dbraw/zinc/67/46/54/1259674654.db2.gz RHEZXTPBFHYWDI-KEWVYSCRSA-N 2 1 363.502 0.857 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738835 1259675642 /nfs/dbraw/zinc/67/56/42/1259675642.db2.gz OPJDZGKJAZAOLN-YKTARERQSA-N 2 1 358.490 0.634 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739521 1259675959 /nfs/dbraw/zinc/67/59/59/1259675959.db2.gz KFKFFMNBPZOMJC-QRIFCXAISA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739521 1259675967 /nfs/dbraw/zinc/67/59/67/1259675967.db2.gz KFKFFMNBPZOMJC-QRIFCXAISA-N 2 1 359.474 0.684 20 0 FCADMP O=C(c1ccccc1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246746960 1259677303 /nfs/dbraw/zinc/67/73/03/1259677303.db2.gz QSRDNFYBXHRXAU-GBESFXJTSA-N 2 1 370.497 0.553 20 0 FCADMP O=C(C[C@H]1OC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NC1CCC1 ZINC001246749653 1259679992 /nfs/dbraw/zinc/67/99/92/1259679992.db2.gz REGSWBIUVPOGEQ-VDHUWJSZSA-N 2 1 362.518 0.476 20 0 FCADMP Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246765756 1259683535 /nfs/dbraw/zinc/68/35/35/1259683535.db2.gz KMOHJXDYBCFUOG-DOXZYTNZSA-N 2 1 362.449 0.927 20 0 FCADMP c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766303 1259685864 /nfs/dbraw/zinc/68/58/64/1259685864.db2.gz MONOWEGBNPQOPS-NXOAAHMSSA-N 2 1 359.474 0.429 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CC[NH2+]CC2)C1 ZINC001335499942 1259688078 /nfs/dbraw/zinc/68/80/78/1259688078.db2.gz XVTFJSOBJOXSTE-RYQLBKOJSA-N 3 1 365.522 0.317 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001335499942 1259688083 /nfs/dbraw/zinc/68/80/83/1259688083.db2.gz XVTFJSOBJOXSTE-RYQLBKOJSA-N 3 1 365.522 0.317 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001335499942 1259688093 /nfs/dbraw/zinc/68/80/93/1259688093.db2.gz XVTFJSOBJOXSTE-RYQLBKOJSA-N 3 1 365.522 0.317 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001335499942 1259688099 /nfs/dbraw/zinc/68/80/99/1259688099.db2.gz XVTFJSOBJOXSTE-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001335499942 1259688103 /nfs/dbraw/zinc/68/81/03/1259688103.db2.gz XVTFJSOBJOXSTE-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335505560 1259689057 /nfs/dbraw/zinc/68/90/57/1259689057.db2.gz KGYDYHZSFPERSY-HOCLYGCPSA-N 2 1 354.470 0.431 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335505560 1259689067 /nfs/dbraw/zinc/68/90/67/1259689067.db2.gz KGYDYHZSFPERSY-HOCLYGCPSA-N 2 1 354.470 0.431 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851433 1259691281 /nfs/dbraw/zinc/69/12/81/1259691281.db2.gz GBYXZTUWRXVYGR-PJIJBLCYSA-N 2 1 374.489 0.416 20 0 FCADMP CCOC(=O)[C@]12C[N@H+](C3CCN(c4ncccn4)CC3)C[C@H]1C[NH2+]CC2 ZINC001246853963 1259692768 /nfs/dbraw/zinc/69/27/68/1259692768.db2.gz AODKEDQGHMYYPM-DNVCBOLYSA-N 2 1 359.474 0.920 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](n2ccc3c2ncnc3N(C)[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246886587 1259692955 /nfs/dbraw/zinc/69/29/55/1259692955.db2.gz BOBXXGQKJPRUKI-VDERGJSUSA-N 2 1 372.473 0.942 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246856577 1259693422 /nfs/dbraw/zinc/69/34/22/1259693422.db2.gz CWQHMJWMLNOQFC-IPQPSQTFSA-N 2 1 359.470 0.865 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001246856577 1259693432 /nfs/dbraw/zinc/69/34/32/1259693432.db2.gz CWQHMJWMLNOQFC-IPQPSQTFSA-N 2 1 359.470 0.865 20 0 FCADMP C[N@H+]1CCCN(CC[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251341491 1259744492 /nfs/dbraw/zinc/74/44/92/1259744492.db2.gz BTTWDBSHOHWBRU-LJQANCHMSA-N 2 1 370.538 0.976 20 0 FCADMP CC(C)OC[C@H](O)C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252675706 1259802201 /nfs/dbraw/zinc/80/22/01/1259802201.db2.gz BIGNVXSDQZNMRY-MRXNPFEDSA-N 2 1 363.506 0.415 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252675706 1259802207 /nfs/dbraw/zinc/80/22/07/1259802207.db2.gz BIGNVXSDQZNMRY-MRXNPFEDSA-N 2 1 363.506 0.415 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001253186094 1259828483 /nfs/dbraw/zinc/82/84/83/1259828483.db2.gz WLHRGOBXXKXJQX-IAGOWNOFSA-N 2 1 370.538 0.831 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253391048 1259838159 /nfs/dbraw/zinc/83/81/59/1259838159.db2.gz WESLXEYUVZOGJN-DNVCBOLYSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001253390325 1259838422 /nfs/dbraw/zinc/83/84/22/1259838422.db2.gz MLUPGGAZTXNITP-MDZRGWNJSA-N 2 1 368.522 0.489 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001253390325 1259838429 /nfs/dbraw/zinc/83/84/29/1259838429.db2.gz MLUPGGAZTXNITP-MDZRGWNJSA-N 2 1 368.522 0.489 20 0 FCADMP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335791166 1259840252 /nfs/dbraw/zinc/84/02/52/1259840252.db2.gz SGFUYHUVUNSKPG-ZFWWWQNUSA-N 2 1 362.478 0.173 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452973 1259841662 /nfs/dbraw/zinc/84/16/62/1259841662.db2.gz APBRVZDQOPWDNX-IXDOHACOSA-N 2 1 371.522 0.273 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452973 1259841670 /nfs/dbraw/zinc/84/16/70/1259841670.db2.gz APBRVZDQOPWDNX-IXDOHACOSA-N 2 1 371.522 0.273 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452973 1259841678 /nfs/dbraw/zinc/84/16/78/1259841678.db2.gz APBRVZDQOPWDNX-IXDOHACOSA-N 2 1 371.522 0.273 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3C[C@@H]4CC(=O)C[C@H]4C3)CC[C@@H]2C1 ZINC001254948114 1259901257 /nfs/dbraw/zinc/90/12/57/1259901257.db2.gz JTMSCFFFTQNLIC-YKTARERQSA-N 2 1 363.502 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3C[C@@H]4CC(=O)C[C@H]4C3)CC[C@@H]2C1 ZINC001254948114 1259901262 /nfs/dbraw/zinc/90/12/62/1259901262.db2.gz JTMSCFFFTQNLIC-YKTARERQSA-N 2 1 363.502 0.855 20 0 FCADMP C[NH+]1CCC([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC1 ZINC001256207530 1259938264 /nfs/dbraw/zinc/93/82/64/1259938264.db2.gz LIBCNSXRBPXUHA-QILLFSRXSA-N 2 1 359.474 0.638 20 0 FCADMP C[NH+]1CCC([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC1 ZINC001256207530 1259938271 /nfs/dbraw/zinc/93/82/71/1259938271.db2.gz LIBCNSXRBPXUHA-QILLFSRXSA-N 2 1 359.474 0.638 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340074 1259947240 /nfs/dbraw/zinc/94/72/40/1259947240.db2.gz PIGDKWPFMIFMIO-RCCFBDPRSA-N 2 1 369.506 0.293 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340074 1259947244 /nfs/dbraw/zinc/94/72/44/1259947244.db2.gz PIGDKWPFMIFMIO-RCCFBDPRSA-N 2 1 369.506 0.293 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340074 1259947249 /nfs/dbraw/zinc/94/72/49/1259947249.db2.gz PIGDKWPFMIFMIO-RCCFBDPRSA-N 2 1 369.506 0.293 20 0 FCADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256494756 1259953616 /nfs/dbraw/zinc/95/36/16/1259953616.db2.gz PGZWQSLRKNYQMY-XQQFMLRXSA-N 2 1 373.450 0.265 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001261381020 1260129766 /nfs/dbraw/zinc/12/97/66/1260129766.db2.gz WNWPAJFISVZWOE-OXQOHEQNSA-N 2 1 360.502 0.987 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)CC2)CC1 ZINC001261495305 1260150044 /nfs/dbraw/zinc/15/00/44/1260150044.db2.gz ACJTYZNSTNPJNP-MRXNPFEDSA-N 2 1 360.506 0.586 20 0 FCADMP [NH3+]CCN(CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC001261501703 1260150971 /nfs/dbraw/zinc/15/09/71/1260150971.db2.gz KNAXYMZYZVGYDB-IBGZPJMESA-N 2 1 360.502 0.771 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001336719868 1260207541 /nfs/dbraw/zinc/20/75/41/1260207541.db2.gz AUWSSXDNDOCUCR-DLBZAZTESA-N 2 1 368.522 0.801 20 0 FCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001336733954 1260210806 /nfs/dbraw/zinc/21/08/06/1260210806.db2.gz DBFZCAXZPSPPCB-IAGOWNOFSA-N 2 1 367.538 0.947 20 0 FCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001336733956 1260210888 /nfs/dbraw/zinc/21/08/88/1260210888.db2.gz DBFZCAXZPSPPCB-SJORKVTESA-N 2 1 367.538 0.947 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC001336793204 1260224298 /nfs/dbraw/zinc/22/42/98/1260224298.db2.gz APPAOJCQXJZMMF-DZGCQCFKSA-N 2 1 359.264 0.845 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001336927375 1260256602 /nfs/dbraw/zinc/25/66/02/1260256602.db2.gz XYYDCQIWOPHETL-MJGOQNOKSA-N 2 1 365.522 0.321 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001337103884 1260310212 /nfs/dbraw/zinc/31/02/12/1260310212.db2.gz DQRYYJFYSFOJKU-XLAORIBOSA-N 2 1 353.507 0.912 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)[nH+]1 ZINC001262550686 1260326607 /nfs/dbraw/zinc/32/66/07/1260326607.db2.gz ACCPAGXECOKIHV-HNNXBMFYSA-N 2 1 359.474 0.909 20 0 FCADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)[C@H]1CN(C)CCO1 ZINC001262578071 1260329072 /nfs/dbraw/zinc/32/90/72/1260329072.db2.gz HNPUKPKEBPOTOF-DZJNRPSUSA-N 3 1 365.522 0.316 20 0 FCADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)[C@@H]1CN(C)CCO1 ZINC001262578073 1260330010 /nfs/dbraw/zinc/33/00/10/1260330010.db2.gz HNPUKPKEBPOTOF-OWLYRPNTSA-N 3 1 365.522 0.316 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2C[NH2+]1 ZINC001263103767 1260341766 /nfs/dbraw/zinc/34/17/66/1260341766.db2.gz LIUHYCNNBZDFTK-FMKPAKJESA-N 2 1 374.489 0.095 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756770 1260356323 /nfs/dbraw/zinc/35/63/23/1260356323.db2.gz YTCPPKOSYGUIMS-YVWKXTFCSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001263756770 1260356329 /nfs/dbraw/zinc/35/63/29/1260356329.db2.gz YTCPPKOSYGUIMS-YVWKXTFCSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001263756770 1260356337 /nfs/dbraw/zinc/35/63/37/1260356337.db2.gz YTCPPKOSYGUIMS-YVWKXTFCSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337440073 1260402280 /nfs/dbraw/zinc/40/22/80/1260402280.db2.gz BRDPRQJWDAXJLW-ULQDDVLXSA-N 2 1 373.501 0.167 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001272623906 1260464228 /nfs/dbraw/zinc/46/42/28/1260464228.db2.gz KMGWDXJMEULZLK-KUHUBIRLSA-N 2 1 359.474 0.647 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001272745959 1260497497 /nfs/dbraw/zinc/49/74/97/1260497497.db2.gz UXGBBYBTTBZBTH-IAGOWNOFSA-N 2 1 360.502 0.768 20 0 FCADMP COCC(COC)[NH+]1CCN(c2nnc(C3CC[NH+](C)CC3)n2C)CC1 ZINC001337917582 1260517100 /nfs/dbraw/zinc/51/71/00/1260517100.db2.gz AUSZKBSYXNNTRO-UHFFFAOYSA-N 2 1 366.510 0.408 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CC[NH+](CCn4ccnc4)C3)CC2)C1 ZINC001273216169 1260625814 /nfs/dbraw/zinc/62/58/14/1260625814.db2.gz DYRLMESXFPJQCT-QGZVFWFLSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CC[NH+](CCn4ccnc4)C3)CC2)C1 ZINC001273216169 1260625821 /nfs/dbraw/zinc/62/58/21/1260625821.db2.gz DYRLMESXFPJQCT-QGZVFWFLSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)C1 ZINC001273216169 1260625827 /nfs/dbraw/zinc/62/58/27/1260625827.db2.gz DYRLMESXFPJQCT-QGZVFWFLSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)C1 ZINC001273216169 1260625834 /nfs/dbraw/zinc/62/58/34/1260625834.db2.gz DYRLMESXFPJQCT-QGZVFWFLSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217988 1260628341 /nfs/dbraw/zinc/62/83/41/1260628341.db2.gz PCFJFLKQXCHHOF-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217988 1260628347 /nfs/dbraw/zinc/62/83/47/1260628347.db2.gz PCFJFLKQXCHHOF-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217988 1260628355 /nfs/dbraw/zinc/62/83/55/1260628355.db2.gz PCFJFLKQXCHHOF-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217988 1260628363 /nfs/dbraw/zinc/62/83/63/1260628363.db2.gz PCFJFLKQXCHHOF-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001277725586 1260662270 /nfs/dbraw/zinc/66/22/70/1260662270.db2.gz BAHMXCWMXJTHQW-LJQANCHMSA-N 2 1 361.490 0.511 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001277725586 1260662279 /nfs/dbraw/zinc/66/22/79/1260662279.db2.gz BAHMXCWMXJTHQW-LJQANCHMSA-N 2 1 361.490 0.511 20 0 FCADMP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001278488945 1260699862 /nfs/dbraw/zinc/69/98/62/1260699862.db2.gz XXMMEOAVZLEPGU-HZPDHXFCSA-N 2 1 355.446 0.345 20 0 FCADMP CCc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)on1 ZINC001278504087 1260702742 /nfs/dbraw/zinc/70/27/42/1260702742.db2.gz IXUMKYYBLIIOMG-LJQANCHMSA-N 2 1 363.506 0.955 20 0 FCADMP CCc1cc(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)on1 ZINC001278504087 1260702744 /nfs/dbraw/zinc/70/27/44/1260702744.db2.gz IXUMKYYBLIIOMG-LJQANCHMSA-N 2 1 363.506 0.955 20 0 FCADMP COCCn1cc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)cn1 ZINC001278712845 1260720197 /nfs/dbraw/zinc/72/01/97/1260720197.db2.gz OEFOUTFRLWZBED-UHFFFAOYSA-N 2 1 363.506 0.906 20 0 FCADMP Cc1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001279287199 1260823374 /nfs/dbraw/zinc/82/33/74/1260823374.db2.gz SVTPQDPHEDLFTL-IRXDYDNUSA-N 2 1 360.506 0.292 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001279617157 1260899887 /nfs/dbraw/zinc/89/98/87/1260899887.db2.gz RLQNJBKDNJOYTL-UHFFFAOYSA-N 2 1 359.474 0.950 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)nc1OC ZINC001279676367 1260913452 /nfs/dbraw/zinc/91/34/52/1260913452.db2.gz BVHYFCQICQXPMN-HUUCEWRRSA-N 2 1 360.458 0.741 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)nc1OC ZINC001279676367 1260913458 /nfs/dbraw/zinc/91/34/58/1260913458.db2.gz BVHYFCQICQXPMN-HUUCEWRRSA-N 2 1 360.458 0.741 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2nccnc2N)CC3)CC1 ZINC001279870452 1260948003 /nfs/dbraw/zinc/94/80/03/1260948003.db2.gz GIPQMIAVOCNNTO-HNNXBMFYSA-N 2 1 358.490 0.871 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@@H+](C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001279900671 1260956654 /nfs/dbraw/zinc/95/66/54/1260956654.db2.gz UWALNMRIASGWAF-ABSDTBQOSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC001280119784 1261009101 /nfs/dbraw/zinc/00/91/01/1261009101.db2.gz IPXBTNPVQCHMQZ-HUUCEWRRSA-N 2 1 357.458 0.187 20 0 FCADMP C[C@H]1CN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH+](C)CC4)C[C@H]23)C[C@H](C)O1 ZINC001280125651 1261010824 /nfs/dbraw/zinc/01/08/24/1261010824.db2.gz MTEXEDSZVUXXPJ-NXNVCVFFSA-N 2 1 364.490 0.651 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CCc3n[nH]c(C(=O)NCC4COC4)c3C2)CC1 ZINC001280139931 1261014293 /nfs/dbraw/zinc/01/42/93/1261014293.db2.gz FQIRGGVHGNXQSH-UHFFFAOYSA-N 2 1 361.490 0.876 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]12 ZINC001280139252 1261014431 /nfs/dbraw/zinc/01/44/31/1261014431.db2.gz FPJPGSLUZZDSRZ-YESZJQIVSA-N 2 1 366.506 0.900 20 0 FCADMP CN(C)C(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@]12c1ccccc1NC2=O ZINC001280138374 1261014571 /nfs/dbraw/zinc/01/45/71/1261014571.db2.gz XHHGFTUUEIZORI-OXQOHEQNSA-N 2 1 356.470 0.896 20 0 FCADMP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280155041 1261015857 /nfs/dbraw/zinc/01/58/57/1261015857.db2.gz VQTXTAGXGPBZGQ-HZPDHXFCSA-N 2 1 360.458 0.590 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001280189506 1261025711 /nfs/dbraw/zinc/02/57/11/1261025711.db2.gz VDWLBUSTOOOGMH-NUEKZKHPSA-N 2 1 360.458 0.180 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@H]3C(=O)NC4(CC[NH+](C[C@H](C)O)CC4)[C@@H]3C2)n(C)n1 ZINC001280188741 1261026056 /nfs/dbraw/zinc/02/60/56/1261026056.db2.gz JODHDCRLHCSQLS-USXIJHARSA-N 2 1 361.490 0.122 20 0 FCADMP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001280202285 1261031566 /nfs/dbraw/zinc/03/15/66/1261031566.db2.gz YMLWKNFUJRYQCX-ULQDDVLXSA-N 2 1 361.490 0.024 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CCCCCC(N)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001280280044 1261046088 /nfs/dbraw/zinc/04/60/88/1261046088.db2.gz HSTHIIRGHQATRM-IBGZPJMESA-N 2 1 367.538 0.250 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280291302 1261050268 /nfs/dbraw/zinc/05/02/68/1261050268.db2.gz NITQMUIYVSLRTB-JLSDUUJJSA-N 2 1 361.490 0.610 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001281977242 1261317817 /nfs/dbraw/zinc/31/78/17/1261317817.db2.gz GPUKCJJUJPXXRJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001281977242 1261317823 /nfs/dbraw/zinc/31/78/23/1261317823.db2.gz GPUKCJJUJPXXRJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP [NH3+]CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001580317666 1278118391 /nfs/dbraw/zinc/11/83/91/1278118391.db2.gz CJUYXAIWBWHAQR-CQSZACIVSA-N 2 1 370.461 0.559 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001288979517 1262057671 /nfs/dbraw/zinc/05/76/71/1262057671.db2.gz HSLHHECLDIZWNP-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001288979517 1262057675 /nfs/dbraw/zinc/05/76/75/1262057675.db2.gz HSLHHECLDIZWNP-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001288979517 1262057680 /nfs/dbraw/zinc/05/76/80/1262057680.db2.gz HSLHHECLDIZWNP-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001288979517 1262057685 /nfs/dbraw/zinc/05/76/85/1262057685.db2.gz HSLHHECLDIZWNP-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001580355154 1278158395 /nfs/dbraw/zinc/15/83/95/1278158395.db2.gz USTBOYLNLOVCIE-IUODEOHRSA-N 2 1 370.461 0.544 20 0 FCADMP Cc1nccn1CC(=O)N[C@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001297564619 1262879580 /nfs/dbraw/zinc/87/95/80/1262879580.db2.gz OLTRBZLISQOPTH-VVFCZOMOSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001297564619 1262879588 /nfs/dbraw/zinc/87/95/88/1262879588.db2.gz OLTRBZLISQOPTH-VVFCZOMOSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001297564619 1262879592 /nfs/dbraw/zinc/87/95/92/1262879592.db2.gz OLTRBZLISQOPTH-VVFCZOMOSA-N 2 1 361.490 0.933 20 0 FCADMP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298606266 1262932919 /nfs/dbraw/zinc/93/29/19/1262932919.db2.gz NEIGSDGKVBDXIA-RBSFLKMASA-N 2 1 364.494 0.019 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580377303 1278189467 /nfs/dbraw/zinc/18/94/67/1278189467.db2.gz VVBADIMVXXTHDG-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC001580383945 1278199672 /nfs/dbraw/zinc/19/96/72/1278199672.db2.gz GEVHPFDBNLQOAG-KURKYZTESA-N 2 1 366.506 0.778 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001316672240 1263415411 /nfs/dbraw/zinc/41/54/11/1263415411.db2.gz PRYAJWXLUZRMKD-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001316672240 1263415414 /nfs/dbraw/zinc/41/54/14/1263415414.db2.gz PRYAJWXLUZRMKD-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP CCCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001485662532 1263511632 /nfs/dbraw/zinc/51/16/32/1263511632.db2.gz JBGHPWLBWQHUPA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001485662532 1263511638 /nfs/dbraw/zinc/51/16/38/1263511638.db2.gz JBGHPWLBWQHUPA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001485662532 1263511643 /nfs/dbraw/zinc/51/16/43/1263511643.db2.gz JBGHPWLBWQHUPA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001485662532 1263511648 /nfs/dbraw/zinc/51/16/48/1263511648.db2.gz JBGHPWLBWQHUPA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001318863446 1263619069 /nfs/dbraw/zinc/61/90/69/1263619069.db2.gz WBYVOOZAEARODG-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001318870961 1263620391 /nfs/dbraw/zinc/62/03/91/1263620391.db2.gz JZWZENBGRYDIQF-KZNAEPCWSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494551502 1263772747 /nfs/dbraw/zinc/77/27/47/1263772747.db2.gz PFLHLMSGMYRUIA-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494551502 1263772752 /nfs/dbraw/zinc/77/27/52/1263772752.db2.gz PFLHLMSGMYRUIA-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC(F)(F)F ZINC001495669513 1263832900 /nfs/dbraw/zinc/83/29/00/1263832900.db2.gz RNXZJNNPRZVJTP-IJLUTSLNSA-N 2 1 352.401 0.347 20 0 FCADMP COC[C@@H](O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001496501607 1263880879 /nfs/dbraw/zinc/88/08/79/1263880879.db2.gz MBZHREMVYJRHNS-BPQIPLTHSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@@H](O)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001496501607 1263880889 /nfs/dbraw/zinc/88/08/89/1263880889.db2.gz MBZHREMVYJRHNS-BPQIPLTHSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@@H](O)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001496501607 1263880898 /nfs/dbraw/zinc/88/08/98/1263880898.db2.gz MBZHREMVYJRHNS-BPQIPLTHSA-N 2 1 355.523 0.894 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001496978435 1263907500 /nfs/dbraw/zinc/90/75/00/1263907500.db2.gz CEJJOKVMWZOLIK-HYVNUMGLSA-N 2 1 362.474 0.340 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)n2)CC1 ZINC001321361507 1263945442 /nfs/dbraw/zinc/94/54/42/1263945442.db2.gz VGOFBGBFXNYYCJ-MRXNPFEDSA-N 2 1 374.489 0.785 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001322314922 1264181329 /nfs/dbraw/zinc/18/13/29/1264181329.db2.gz KQVPVCJYLKAQSH-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001322314922 1264181335 /nfs/dbraw/zinc/18/13/35/1264181335.db2.gz KQVPVCJYLKAQSH-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001322406854 1264190131 /nfs/dbraw/zinc/19/01/31/1264190131.db2.gz QCWUZWGZPZRLLM-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580390172 1278219612 /nfs/dbraw/zinc/21/96/12/1278219612.db2.gz WKQAAPGLCUVQNM-VDNDLQMASA-N 2 1 369.473 0.944 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001322598949 1264228088 /nfs/dbraw/zinc/22/80/88/1264228088.db2.gz WGDLITDUYNYUEI-DLBZAZTESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001333626633 1266657247 /nfs/dbraw/zinc/65/72/47/1266657247.db2.gz SZWBYHNRXJSMDB-KBPBESRZSA-N 2 1 367.519 0.006 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001323389746 1264418751 /nfs/dbraw/zinc/41/87/51/1264418751.db2.gz XSRSQDQPEVWPFK-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCn1cc[nH+]c1C ZINC001511615677 1264566799 /nfs/dbraw/zinc/56/67/99/1264566799.db2.gz OHHMRAMLYWVEHE-QGZVFWFLSA-N 2 1 359.478 0.950 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001324171177 1264588867 /nfs/dbraw/zinc/58/88/67/1264588867.db2.gz NNRUBCQPMGYYHW-SJORKVTESA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001324171177 1264588877 /nfs/dbraw/zinc/58/88/77/1264588877.db2.gz NNRUBCQPMGYYHW-SJORKVTESA-N 2 1 361.490 0.277 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C[C@@H]21 ZINC001324867030 1264720748 /nfs/dbraw/zinc/72/07/48/1264720748.db2.gz ROWDOIYNUQCBII-QAPCUYQASA-N 2 1 371.485 0.539 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC001324906789 1264733475 /nfs/dbraw/zinc/73/34/75/1264733475.db2.gz OIOLTCYRVFSHBC-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580404144 1278238916 /nfs/dbraw/zinc/23/89/16/1278238916.db2.gz UBJMBUKJCYRILP-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001326003104 1265041329 /nfs/dbraw/zinc/04/13/29/1265041329.db2.gz MYQDTVNBAJGLLS-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COc1cc(OC)cc(N2CCC[N@@H+](CC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC001326392060 1265104480 /nfs/dbraw/zinc/10/44/80/1265104480.db2.gz UGEJWDGPAMLOMK-UHFFFAOYSA-N 2 1 362.474 0.648 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326421806 1265112101 /nfs/dbraw/zinc/11/21/01/1265112101.db2.gz WUVBHQZKPFWQOH-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326421806 1265112103 /nfs/dbraw/zinc/11/21/03/1265112103.db2.gz WUVBHQZKPFWQOH-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001327318725 1265284541 /nfs/dbraw/zinc/28/45/41/1265284541.db2.gz KZWZOCLWJAKERR-IYBDPMFKSA-N 2 1 368.522 0.593 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001333336471 1266582049 /nfs/dbraw/zinc/58/20/49/1266582049.db2.gz NUQWICIZDMKQQY-OAHLLOKOSA-N 2 1 362.478 0.056 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001334241261 1266905579 /nfs/dbraw/zinc/90/55/79/1266905579.db2.gz MCIDJMGBIIQRDU-KURKYZTESA-N 2 1 367.538 0.552 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001528095401 1266944057 /nfs/dbraw/zinc/94/40/57/1266944057.db2.gz VWLIGWRKOBBSLT-LZQZEXGQSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001528095401 1266944063 /nfs/dbraw/zinc/94/40/63/1266944063.db2.gz VWLIGWRKOBBSLT-LZQZEXGQSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001528095401 1266944070 /nfs/dbraw/zinc/94/40/70/1266944070.db2.gz VWLIGWRKOBBSLT-LZQZEXGQSA-N 2 1 358.486 0.258 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001528130967 1266947980 /nfs/dbraw/zinc/94/79/80/1266947980.db2.gz PHDGOXHGCCWQOU-HZPDHXFCSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001528130967 1266947990 /nfs/dbraw/zinc/94/79/90/1266947990.db2.gz PHDGOXHGCCWQOU-HZPDHXFCSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001528130967 1266947994 /nfs/dbraw/zinc/94/79/94/1266947994.db2.gz PHDGOXHGCCWQOU-HZPDHXFCSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001528130965 1266948933 /nfs/dbraw/zinc/94/89/33/1266948933.db2.gz PHDGOXHGCCWQOU-HOTGVXAUSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001528130965 1266948942 /nfs/dbraw/zinc/94/89/42/1266948942.db2.gz PHDGOXHGCCWQOU-HOTGVXAUSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001528130965 1266948952 /nfs/dbraw/zinc/94/89/52/1266948952.db2.gz PHDGOXHGCCWQOU-HOTGVXAUSA-N 2 1 355.527 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@H]2CCCC[NH+]2C)C2CC2)CC[N@H+]1C ZINC001529775246 1267074519 /nfs/dbraw/zinc/07/45/19/1267074519.db2.gz NRVTZBZHYQIHHY-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)CC[NH+]1C ZINC001529775246 1267074524 /nfs/dbraw/zinc/07/45/24/1267074524.db2.gz NRVTZBZHYQIHHY-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@H]2CCCC[N@H+]2C)C2CC2)CC[NH+]1C ZINC001529775246 1267074535 /nfs/dbraw/zinc/07/45/35/1267074535.db2.gz NRVTZBZHYQIHHY-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572261 1267500227 /nfs/dbraw/zinc/50/02/27/1267500227.db2.gz JSZCZHAUKCKISE-CABCVRRESA-N 2 1 354.495 0.107 20 0 FCADMP Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001543224371 1267532895 /nfs/dbraw/zinc/53/28/95/1267532895.db2.gz AGLGLXLWRGBJTE-IEBWSBKVSA-N 2 1 362.522 0.965 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)C1 ZINC001549037794 1267792890 /nfs/dbraw/zinc/79/28/90/1267792890.db2.gz DKDBXUDIPMQRSD-DNVCBOLYSA-N 2 1 370.497 0.889 20 0 FCADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC001549116051 1267813742 /nfs/dbraw/zinc/81/37/42/1267813742.db2.gz KJNAMYXQQHDDOT-YLJYHZDGSA-N 2 1 362.518 0.908 20 0 FCADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC001549116051 1267813757 /nfs/dbraw/zinc/81/37/57/1267813757.db2.gz KJNAMYXQQHDDOT-YLJYHZDGSA-N 2 1 362.518 0.908 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC001549116050 1267814082 /nfs/dbraw/zinc/81/40/82/1267814082.db2.gz KJNAMYXQQHDDOT-XLIONFOSSA-N 2 1 362.518 0.908 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC001549116050 1267814098 /nfs/dbraw/zinc/81/40/98/1267814098.db2.gz KJNAMYXQQHDDOT-XLIONFOSSA-N 2 1 362.518 0.908 20 0 FCADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC001549116049 1267814705 /nfs/dbraw/zinc/81/47/05/1267814705.db2.gz KJNAMYXQQHDDOT-FXAWDEMLSA-N 2 1 362.518 0.908 20 0 FCADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC001549116049 1267814710 /nfs/dbraw/zinc/81/47/10/1267814710.db2.gz KJNAMYXQQHDDOT-FXAWDEMLSA-N 2 1 362.518 0.908 20 0 FCADMP Cc1nn(C)cc1[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001549186441 1267856375 /nfs/dbraw/zinc/85/63/75/1267856375.db2.gz JJFLOZMCEFFOQH-ROUUACIJSA-N 2 1 371.489 0.890 20 0 FCADMP O=C(N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC001549299053 1267894928 /nfs/dbraw/zinc/89/49/28/1267894928.db2.gz VFQOKBVTDKXBBQ-IRXDYDNUSA-N 2 1 373.501 0.721 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001549364194 1267910255 /nfs/dbraw/zinc/91/02/55/1267910255.db2.gz IDTILQJGSXMHJG-HZMVEIRTSA-N 2 1 364.490 0.090 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001549364194 1267910260 /nfs/dbraw/zinc/91/02/60/1267910260.db2.gz IDTILQJGSXMHJG-HZMVEIRTSA-N 2 1 364.490 0.090 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)[nH+]c1 ZINC001338336528 1267911351 /nfs/dbraw/zinc/91/13/51/1267911351.db2.gz BTWPPOUXZPCHIG-OAHLLOKOSA-N 2 1 359.474 0.909 20 0 FCADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464274 1267949581 /nfs/dbraw/zinc/94/95/81/1267949581.db2.gz CBWZVLLUTJYJRX-OTWHNJEPSA-N 2 1 350.459 0.115 20 0 FCADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464274 1267949583 /nfs/dbraw/zinc/94/95/83/1267949583.db2.gz CBWZVLLUTJYJRX-OTWHNJEPSA-N 2 1 350.459 0.115 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])c1 ZINC001549737028 1267983043 /nfs/dbraw/zinc/98/30/43/1267983043.db2.gz BZZRBXXZMSTDHO-ZIFCJYIRSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])c1 ZINC001549737028 1267983046 /nfs/dbraw/zinc/98/30/46/1267983046.db2.gz BZZRBXXZMSTDHO-ZIFCJYIRSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC001549762225 1267994573 /nfs/dbraw/zinc/99/45/73/1267994573.db2.gz KXVGCDHKOKFNBN-LPHOPBHVSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC001549762225 1267994580 /nfs/dbraw/zinc/99/45/80/1267994580.db2.gz KXVGCDHKOKFNBN-LPHOPBHVSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC001549762225 1267994584 /nfs/dbraw/zinc/99/45/84/1267994584.db2.gz KXVGCDHKOKFNBN-LPHOPBHVSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC001549762225 1267994592 /nfs/dbraw/zinc/99/45/92/1267994592.db2.gz KXVGCDHKOKFNBN-LPHOPBHVSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)n1 ZINC001549762477 1267996712 /nfs/dbraw/zinc/99/67/12/1267996712.db2.gz MKOBHJFUZOZFKJ-ULQDDVLXSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)n1 ZINC001549762477 1267996716 /nfs/dbraw/zinc/99/67/16/1267996716.db2.gz MKOBHJFUZOZFKJ-ULQDDVLXSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC001549762477 1267996720 /nfs/dbraw/zinc/99/67/20/1267996720.db2.gz MKOBHJFUZOZFKJ-ULQDDVLXSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001549762477 1267996728 /nfs/dbraw/zinc/99/67/28/1267996728.db2.gz MKOBHJFUZOZFKJ-ULQDDVLXSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC001549763462 1267996778 /nfs/dbraw/zinc/99/67/78/1267996778.db2.gz NGSPTCMKZSVVEM-CGTJXYLNSA-N 2 1 374.533 0.722 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001549764334 1267997736 /nfs/dbraw/zinc/99/77/36/1267997736.db2.gz WUBQHSIYRFTAOE-OIISXLGYSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001549764334 1267997743 /nfs/dbraw/zinc/99/77/43/1267997743.db2.gz WUBQHSIYRFTAOE-OIISXLGYSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001549764334 1267997748 /nfs/dbraw/zinc/99/77/48/1267997748.db2.gz WUBQHSIYRFTAOE-OIISXLGYSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001549764334 1267997750 /nfs/dbraw/zinc/99/77/50/1267997750.db2.gz WUBQHSIYRFTAOE-OIISXLGYSA-N 2 1 361.490 0.807 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@@H]4C3)cc21 ZINC001549941681 1268027801 /nfs/dbraw/zinc/02/78/01/1268027801.db2.gz XMKPNEONDPSTOM-HUUCEWRRSA-N 2 1 373.457 0.195 20 0 FCADMP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001338688774 1268042743 /nfs/dbraw/zinc/04/27/43/1268042743.db2.gz UUBGDTZCKJHCTF-RBUKOAKNSA-N 2 1 373.501 0.052 20 0 FCADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)[C@@H]2C1 ZINC001550062885 1268066467 /nfs/dbraw/zinc/06/64/67/1268066467.db2.gz IKDPHXABFYCMJX-TUAOUCFPSA-N 2 1 370.404 0.295 20 0 FCADMP COC[C@]1(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCCC[NH2+]1 ZINC001550069259 1268069704 /nfs/dbraw/zinc/06/97/04/1268069704.db2.gz POUOBKNGWXYXOX-GJYPPUQNSA-N 2 1 351.491 0.905 20 0 FCADMP Cn1nccc1[C@@H]1[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)CCC[NH+]1C ZINC001550360540 1268105989 /nfs/dbraw/zinc/10/59/89/1268105989.db2.gz GGJJQFKNIRUMNV-YJBOKZPZSA-N 2 1 362.522 0.413 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482191 1268125747 /nfs/dbraw/zinc/12/57/47/1268125747.db2.gz YGKVXLPBKCBWEO-BWPNAZKDSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482191 1268125750 /nfs/dbraw/zinc/12/57/50/1268125750.db2.gz YGKVXLPBKCBWEO-BWPNAZKDSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482191 1268125752 /nfs/dbraw/zinc/12/57/52/1268125752.db2.gz YGKVXLPBKCBWEO-BWPNAZKDSA-N 2 1 366.550 0.610 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001550623191 1268141604 /nfs/dbraw/zinc/14/16/04/1268141604.db2.gz VHUGSNIEUIPRET-NBMJBFSESA-N 2 1 353.507 0.693 20 0 FCADMP [NH3+][C@H]1c2ccccc2C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730408 1268157571 /nfs/dbraw/zinc/15/75/71/1268157571.db2.gz GRCAPJWTBGNNOY-MSOLQXFVSA-N 2 1 374.485 0.792 20 0 FCADMP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001550743523 1268160710 /nfs/dbraw/zinc/16/07/10/1268160710.db2.gz LVJKRVBFKYDDLS-FPCVCCKLSA-N 2 1 352.479 0.387 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2COCC[C@H]2[NH3+])C1 ZINC001550753253 1268162949 /nfs/dbraw/zinc/16/29/49/1268162949.db2.gz XWTBEKIVMDPAFQ-KZNAEPCWSA-N 2 1 362.474 0.611 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2COCC[C@H]2[NH3+])C1 ZINC001550753253 1268162955 /nfs/dbraw/zinc/16/29/55/1268162955.db2.gz XWTBEKIVMDPAFQ-KZNAEPCWSA-N 2 1 362.474 0.611 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC001550977646 1268188107 /nfs/dbraw/zinc/18/81/07/1268188107.db2.gz NFQORMBIRPBWIX-ZBFHGGJFSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001550977646 1268188113 /nfs/dbraw/zinc/18/81/13/1268188113.db2.gz NFQORMBIRPBWIX-ZBFHGGJFSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001550977646 1268188116 /nfs/dbraw/zinc/18/81/16/1268188116.db2.gz NFQORMBIRPBWIX-ZBFHGGJFSA-N 2 1 354.495 0.384 20 0 FCADMP Cn1nc([C@@H]2C[C@@H](O)[C@H](C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223539 1268215551 /nfs/dbraw/zinc/21/55/51/1268215551.db2.gz NHKMDLOMWMNIRD-ZQDZILKHSA-N 2 1 351.495 0.436 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551471755 1268257618 /nfs/dbraw/zinc/25/76/18/1268257618.db2.gz XCLJELFCLBWNGX-PMPSAXMXSA-N 2 1 354.495 0.242 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C[C@H](C)O ZINC001551471833 1268257737 /nfs/dbraw/zinc/25/77/37/1268257737.db2.gz ZMPSHNSCVGNEDN-GVDBMIGSSA-N 2 1 368.522 0.632 20 0 FCADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492953 1268260836 /nfs/dbraw/zinc/26/08/36/1268260836.db2.gz YWHILBQXCROBIN-ZLHSVIROSA-N 2 1 360.458 0.607 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551547589 1268264478 /nfs/dbraw/zinc/26/44/78/1268264478.db2.gz DOXMQLIORWJUMS-YJTLQXIOSA-N 2 1 363.506 0.594 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)[C@H](C)C1 ZINC001551550988 1268265640 /nfs/dbraw/zinc/26/56/40/1268265640.db2.gz PWXHBIAFNIVSCP-DHMWGJHJSA-N 2 1 364.412 0.625 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551555297 1268267852 /nfs/dbraw/zinc/26/78/52/1268267852.db2.gz NMMASLPTYRAJDH-WBVHZDCISA-N 2 1 365.522 0.664 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556707 1268268564 /nfs/dbraw/zinc/26/85/64/1268268564.db2.gz STKBQELHMZQHPZ-INMHGKMJSA-N 2 1 351.495 0.417 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551558993 1268270024 /nfs/dbraw/zinc/27/00/24/1268270024.db2.gz FPRVJWBGUXTAHV-CBZIJGRNSA-N 2 1 363.506 0.559 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551579650 1268277299 /nfs/dbraw/zinc/27/72/99/1268277299.db2.gz OSDCQQJTMTVBKA-ZOBUZTSGSA-N 2 1 365.522 0.805 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC001551586053 1268279718 /nfs/dbraw/zinc/27/97/18/1268279718.db2.gz BLVAQCINONFBPG-XJOINEQPSA-N 2 1 363.506 0.558 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596455 1268282114 /nfs/dbraw/zinc/28/21/14/1268282114.db2.gz UASMDMQBCNVCFI-NYCLONFESA-N 2 1 365.522 0.615 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939124 1268317373 /nfs/dbraw/zinc/31/73/73/1268317373.db2.gz LROBPAJJEKTXSE-GBJTYRQASA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939124 1268317382 /nfs/dbraw/zinc/31/73/82/1268317382.db2.gz LROBPAJJEKTXSE-GBJTYRQASA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001552014671 1268352396 /nfs/dbraw/zinc/35/23/96/1268352396.db2.gz XNHWIBAEYUBUHQ-VQHPVUNQSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001552014671 1268352404 /nfs/dbraw/zinc/35/24/04/1268352404.db2.gz XNHWIBAEYUBUHQ-VQHPVUNQSA-N 2 1 354.495 0.600 20 0 FCADMP COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001339935122 1268377138 /nfs/dbraw/zinc/37/71/38/1268377138.db2.gz ZDMQNOXYJBRUFI-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552184384 1268405159 /nfs/dbraw/zinc/40/51/59/1268405159.db2.gz GEQGINCNPDCGAP-HNAYVOBHSA-N 2 1 365.522 0.747 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552211479 1268411198 /nfs/dbraw/zinc/41/11/98/1268411198.db2.gz KCLPWASYAGQLIR-ZJPZJRRFSA-N 2 1 364.494 0.354 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001552237539 1268418792 /nfs/dbraw/zinc/41/87/92/1268418792.db2.gz AYVYRKUABQBMOE-QZTJIDSGSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001552237539 1268418797 /nfs/dbraw/zinc/41/87/97/1268418797.db2.gz AYVYRKUABQBMOE-QZTJIDSGSA-N 2 1 358.486 0.658 20 0 FCADMP C[N@@H+]1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001552245115 1268419884 /nfs/dbraw/zinc/41/98/84/1268419884.db2.gz ZPYYPVACPYSMJO-QZTJIDSGSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001552245115 1268419887 /nfs/dbraw/zinc/41/98/87/1268419887.db2.gz ZPYYPVACPYSMJO-QZTJIDSGSA-N 2 1 358.486 0.612 20 0 FCADMP Nc1ccc(N[C@@H]2CCCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)c[nH+]1 ZINC001552286023 1268433225 /nfs/dbraw/zinc/43/32/25/1268433225.db2.gz ZXUFSWSFNNQADW-UKRRQHHQSA-N 2 1 370.461 0.897 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001340248482 1268485737 /nfs/dbraw/zinc/48/57/37/1268485737.db2.gz INXXNDVRPHNPFM-NRFANRHFSA-N 2 1 374.529 0.815 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC001552696655 1268523540 /nfs/dbraw/zinc/52/35/40/1268523540.db2.gz WKEKJICJHDLSEE-ZMSDIMECSA-N 2 1 362.478 0.515 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC001552706324 1268526114 /nfs/dbraw/zinc/52/61/14/1268526114.db2.gz KEAGMECKJNEQLB-IAGOWNOFSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC001552706324 1268526123 /nfs/dbraw/zinc/52/61/23/1268526123.db2.gz KEAGMECKJNEQLB-IAGOWNOFSA-N 2 1 361.490 0.687 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552706430 1268526347 /nfs/dbraw/zinc/52/63/47/1268526347.db2.gz UNGJDNHYMKPMRR-BFYDXBDKSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552706430 1268526350 /nfs/dbraw/zinc/52/63/50/1268526350.db2.gz UNGJDNHYMKPMRR-BFYDXBDKSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552706430 1268526359 /nfs/dbraw/zinc/52/63/59/1268526359.db2.gz UNGJDNHYMKPMRR-BFYDXBDKSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552706430 1268526362 /nfs/dbraw/zinc/52/63/62/1268526362.db2.gz UNGJDNHYMKPMRR-BFYDXBDKSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H]1[C@H](c2nnc(N3CC[C@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774635 1268541974 /nfs/dbraw/zinc/54/19/74/1268541974.db2.gz MBYZIBMDDCFLEH-IXDOHACOSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@H](c2nnc(N3CC[C@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774635 1268541982 /nfs/dbraw/zinc/54/19/82/1268541982.db2.gz MBYZIBMDDCFLEH-IXDOHACOSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@H](c2nnc(N3CC[C@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774635 1268541991 /nfs/dbraw/zinc/54/19/91/1268541991.db2.gz MBYZIBMDDCFLEH-IXDOHACOSA-N 2 1 361.538 0.839 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957496 1268569405 /nfs/dbraw/zinc/56/94/05/1268569405.db2.gz JHNNDZSIESHBLP-ZWKOTPCHSA-N 2 1 357.502 0.905 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375562 1268638403 /nfs/dbraw/zinc/63/84/03/1268638403.db2.gz RQBKXJZRFYJQDQ-UWJYYQICSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccco4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378916 1268641044 /nfs/dbraw/zinc/64/10/44/1268641044.db2.gz OQOKLLQBBSGMIL-IFXJQAMLSA-N 2 1 360.458 0.542 20 0 FCADMP CCCNC(=O)c1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553392076 1268642075 /nfs/dbraw/zinc/64/20/75/1268642075.db2.gz JTSIEXUWUJCEJV-YLJYHZDGSA-N 2 1 358.486 0.984 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@H]2C1 ZINC001553399739 1268644141 /nfs/dbraw/zinc/64/41/41/1268644141.db2.gz TVDLNVNUEBFQMM-BTDLBPIBSA-N 2 1 370.375 0.700 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405052 1268645141 /nfs/dbraw/zinc/64/51/41/1268645141.db2.gz CVAPQVPJHCWVRT-QYZOEREBSA-N 2 1 358.486 0.570 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553415574 1268647037 /nfs/dbraw/zinc/64/70/37/1268647037.db2.gz YXJGZQXVMLUFJU-QYZOEREBSA-N 2 1 358.486 0.786 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553412973 1268647650 /nfs/dbraw/zinc/64/76/50/1268647650.db2.gz PBJOYUGTZLFYGN-OKZBNKHCSA-N 2 1 372.469 0.922 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553434537 1268650637 /nfs/dbraw/zinc/65/06/37/1268650637.db2.gz LRRJOJSYUYKRIN-HNNXBMFYSA-N 2 1 351.495 0.500 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC001553449731 1268652000 /nfs/dbraw/zinc/65/20/00/1268652000.db2.gz NPQDONXWNBQBOG-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450245 1268653613 /nfs/dbraw/zinc/65/36/13/1268653613.db2.gz ITFIGLJHLBAEOG-WBVHZDCISA-N 2 1 365.522 0.223 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450245 1268653624 /nfs/dbraw/zinc/65/36/24/1268653624.db2.gz ITFIGLJHLBAEOG-WBVHZDCISA-N 2 1 365.522 0.223 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001553531931 1268665005 /nfs/dbraw/zinc/66/50/05/1268665005.db2.gz VGBCWUBACIYAAK-OALUTQOASA-N 2 1 357.502 0.937 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001340875810 1268690123 /nfs/dbraw/zinc/69/01/23/1268690123.db2.gz SKJVMSDSCIUMNA-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001340998758 1268739267 /nfs/dbraw/zinc/73/92/67/1268739267.db2.gz FLGUVLISXPLWNS-MRXNPFEDSA-N 2 1 356.511 0.293 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001341072222 1268772161 /nfs/dbraw/zinc/77/21/61/1268772161.db2.gz ULCOIWDLWCWUCS-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP COCC[N@H+](C)CCn1c(C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001555524464 1268786446 /nfs/dbraw/zinc/78/64/46/1268786446.db2.gz XAJLHIMYSCRAOA-QGZVFWFLSA-N 2 1 366.510 0.323 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001555524464 1268786452 /nfs/dbraw/zinc/78/64/52/1268786452.db2.gz XAJLHIMYSCRAOA-QGZVFWFLSA-N 2 1 366.510 0.323 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC001341244071 1268885776 /nfs/dbraw/zinc/88/57/76/1268885776.db2.gz LCGCAWDMXXYVBS-JLSDUUJJSA-N 2 1 372.469 0.922 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496646 1269033502 /nfs/dbraw/zinc/03/35/02/1269033502.db2.gz LTNWEBRGJUWOMY-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C1)CC2 ZINC001341731694 1269175423 /nfs/dbraw/zinc/17/54/23/1269175423.db2.gz BINIEHAYAYYBCV-JFIYKMOQSA-N 2 1 373.501 0.861 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CSCC[NH2+]2)CC1=O ZINC001341897765 1269258050 /nfs/dbraw/zinc/25/80/50/1269258050.db2.gz NLYQQLKXAZQBCA-OWCLPIDISA-N 2 1 368.547 0.531 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958422 1269280174 /nfs/dbraw/zinc/28/01/74/1269280174.db2.gz MWHJDLWTAKCUSP-SJLPKXTDSA-N 2 1 373.501 0.297 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC001563700832 1269397205 /nfs/dbraw/zinc/39/72/05/1269397205.db2.gz CZETXAPMFNHESC-KRWDZBQOSA-N 2 1 354.495 0.603 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC001563700832 1269397212 /nfs/dbraw/zinc/39/72/12/1269397212.db2.gz CZETXAPMFNHESC-KRWDZBQOSA-N 2 1 354.495 0.603 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001567035920 1269675288 /nfs/dbraw/zinc/67/52/88/1269675288.db2.gz LARIHNYVAUCBGV-AEFFLSMTSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001342930053 1269683848 /nfs/dbraw/zinc/68/38/48/1269683848.db2.gz LKIXBGLUIDLVOC-BFYDXBDKSA-N 2 1 356.511 0.255 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C ZINC001343115356 1269781021 /nfs/dbraw/zinc/78/10/21/1269781021.db2.gz BPNIBHZRUAXWRO-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001343115356 1269781033 /nfs/dbraw/zinc/78/10/33/1269781033.db2.gz BPNIBHZRUAXWRO-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001343115356 1269781045 /nfs/dbraw/zinc/78/10/45/1269781045.db2.gz BPNIBHZRUAXWRO-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP O=C(Cc1ccccc1)OCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001580574227 1278510347 /nfs/dbraw/zinc/51/03/47/1278510347.db2.gz ZPZROTXNQQLUMR-BBWFWOEESA-N 2 1 359.426 0.639 20 0 FCADMP O=C(N1CCNCC1)N1CCN(C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001580584212 1278526076 /nfs/dbraw/zinc/52/60/76/1278526076.db2.gz XERMUYIKHFNAMQ-INIZCTEOSA-N 2 1 352.479 0.705 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001344949896 1270281647 /nfs/dbraw/zinc/28/16/47/1270281647.db2.gz GXQKMSVYSJRJOR-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001344949898 1270282566 /nfs/dbraw/zinc/28/25/66/1270282566.db2.gz GXQKMSVYSJRJOR-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1OC ZINC001572969872 1270427799 /nfs/dbraw/zinc/42/77/99/1270427799.db2.gz DSMKVVHNKUNADK-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001573240190 1270704600 /nfs/dbraw/zinc/70/46/00/1270704600.db2.gz OFGCIVSKTLVHGV-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001573240190 1270704605 /nfs/dbraw/zinc/70/46/05/1270704605.db2.gz OFGCIVSKTLVHGV-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001573240190 1270704612 /nfs/dbraw/zinc/70/46/12/1270704612.db2.gz OFGCIVSKTLVHGV-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001573240190 1270704621 /nfs/dbraw/zinc/70/46/21/1270704621.db2.gz OFGCIVSKTLVHGV-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580635100 1278599217 /nfs/dbraw/zinc/59/92/17/1278599217.db2.gz JSXFWFXJTBAALE-MRXNPFEDSA-N 2 1 351.491 0.764 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976434 1270970748 /nfs/dbraw/zinc/97/07/48/1270970748.db2.gz WGGSMILONBBAMW-XJKSGUPXSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001574251525 1271120179 /nfs/dbraw/zinc/12/01/79/1271120179.db2.gz GVKFEVGLFCDHSX-QWHCGFSZSA-N 2 1 358.450 0.425 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260339 1271130628 /nfs/dbraw/zinc/13/06/28/1271130628.db2.gz FPYDGNMDQLXZRD-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574260487 1271131810 /nfs/dbraw/zinc/13/18/10/1271131810.db2.gz JHLICVUTZVYIIK-UHFFFAOYSA-N 2 1 363.441 0.942 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574264510 1271140846 /nfs/dbraw/zinc/14/08/46/1271140846.db2.gz IAUCKLDXFLAQJL-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595135 1271394455 /nfs/dbraw/zinc/39/44/55/1271394455.db2.gz DRMBOBVBMHQBMG-UKRRQHHQSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598980 1271401928 /nfs/dbraw/zinc/40/19/28/1271401928.db2.gz UHGCFCSILDJJAU-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598980 1271401936 /nfs/dbraw/zinc/40/19/36/1271401936.db2.gz UHGCFCSILDJJAU-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598413 1271402500 /nfs/dbraw/zinc/40/25/00/1271402500.db2.gz QJKMWLZKIZYRDW-CJNGLKHVSA-N 2 1 357.462 0.803 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673124 1271477041 /nfs/dbraw/zinc/47/70/41/1271477041.db2.gz ZGYDMMMOQUKRRA-CJNGLKHVSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574781477 1271516070 /nfs/dbraw/zinc/51/60/70/1271516070.db2.gz KVMZCABIZYOVRQ-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574781477 1271516077 /nfs/dbraw/zinc/51/60/77/1271516077.db2.gz KVMZCABIZYOVRQ-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574781477 1271516083 /nfs/dbraw/zinc/51/60/83/1271516083.db2.gz KVMZCABIZYOVRQ-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001574783367 1271516720 /nfs/dbraw/zinc/51/67/20/1271516720.db2.gz BZMYVPRJTCGLAH-CQSZACIVSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877972 1271638702 /nfs/dbraw/zinc/63/87/02/1271638702.db2.gz UEVAUSKCGQCOOV-YPMHNXCESA-N 2 1 361.425 0.552 20 0 FCADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895991 1271655829 /nfs/dbraw/zinc/65/58/29/1271655829.db2.gz BESAWWYZLIXICE-NEPJUHHUSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908564 1271674125 /nfs/dbraw/zinc/67/41/25/1271674125.db2.gz JHASYENFHTZDTR-QWHCGFSZSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575115956 1271729576 /nfs/dbraw/zinc/72/95/76/1271729576.db2.gz UAGTXRTWGWELCV-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(F)(F)C[NH3+] ZINC001575138950 1271742970 /nfs/dbraw/zinc/74/29/70/1271742970.db2.gz FMAIKYMQFCUASJ-CYBMUJFWSA-N 2 1 372.464 0.982 20 0 FCADMP CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(F)(F)C[NH3+] ZINC001575138950 1271742981 /nfs/dbraw/zinc/74/29/81/1271742981.db2.gz FMAIKYMQFCUASJ-CYBMUJFWSA-N 2 1 372.464 0.982 20 0 FCADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575161049 1271757625 /nfs/dbraw/zinc/75/76/25/1271757625.db2.gz URVBQJICFUVCCH-GJZGRUSLSA-N 2 1 352.479 0.938 20 0 FCADMP CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C[NH3+])C1 ZINC001575682703 1272294460 /nfs/dbraw/zinc/29/44/60/1272294460.db2.gz ULECIBPQAOTBRS-OAHLLOKOSA-N 2 1 362.482 0.183 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001575698304 1272317672 /nfs/dbraw/zinc/31/76/72/1272317672.db2.gz NPCABMFFLDZZLP-GOSISDBHSA-N 2 1 351.539 0.299 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007171 1272691883 /nfs/dbraw/zinc/69/18/83/1272691883.db2.gz ZRDQWBFXZQRMNA-ZIAGYGMSSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007171 1272691888 /nfs/dbraw/zinc/69/18/88/1272691888.db2.gz ZRDQWBFXZQRMNA-ZIAGYGMSSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576061993 1272810639 /nfs/dbraw/zinc/81/06/39/1272810639.db2.gz YATVMOJZMZIIBW-CJNGLKHVSA-N 2 1 366.429 0.821 20 0 FCADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576066405 1272818903 /nfs/dbraw/zinc/81/89/03/1272818903.db2.gz UFVPTNSXEOVWRT-LSDHHAIUSA-N 2 1 372.477 0.383 20 0 FCADMP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576144326 1272958772 /nfs/dbraw/zinc/95/87/72/1272958772.db2.gz XORQLGFZFCICIC-LSDHHAIUSA-N 2 1 374.493 0.103 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2c[nH]nn2)C1)[NH+](C)C ZINC001576175912 1272977166 /nfs/dbraw/zinc/97/71/66/1272977166.db2.gz OBHPODJJUDKFGZ-BBWFWOEESA-N 2 1 374.493 0.005 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCc2c[nH]nn2)C1)[NH+](C)C ZINC001576175913 1272977722 /nfs/dbraw/zinc/97/77/22/1272977722.db2.gz OBHPODJJUDKFGZ-GVDBMIGSSA-N 2 1 374.493 0.005 20 0 FCADMP C[C@H]([NH3+])c1nc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cs1 ZINC001576177575 1272978879 /nfs/dbraw/zinc/97/88/79/1272978879.db2.gz WYPOYHUCNYXAFG-LBPRGKRZSA-N 2 1 353.492 0.885 20 0 FCADMP C[C@@H]([NH3+])c1nc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cs1 ZINC001576177574 1272979328 /nfs/dbraw/zinc/97/93/28/1272979328.db2.gz WYPOYHUCNYXAFG-GFCCVEGCSA-N 2 1 353.492 0.885 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC2(O)CC[NH2+]CC2)CC1 ZINC001576648024 1273505568 /nfs/dbraw/zinc/50/55/68/1273505568.db2.gz KXFXVDGHHZBVEN-CALCHBBNSA-N 2 1 352.523 0.508 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001576709925 1273578797 /nfs/dbraw/zinc/57/87/97/1273578797.db2.gz WQBVJOAGWMLDKI-GJZGRUSLSA-N 2 1 363.510 0.686 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796664 1273699325 /nfs/dbraw/zinc/69/93/25/1273699325.db2.gz QKESXUUJVSGEIE-STQMWFEESA-N 2 1 358.450 0.250 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001576802185 1273709847 /nfs/dbraw/zinc/70/98/47/1273709847.db2.gz WKEZRFRBIGTWCJ-HUUCEWRRSA-N 2 1 354.495 0.982 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1[NH3+] ZINC001576822863 1273744589 /nfs/dbraw/zinc/74/45/89/1273744589.db2.gz AZWPWJPTELPOAY-OAGGEKHMSA-N 2 1 371.489 0.844 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1[NH3+] ZINC001576822863 1273744596 /nfs/dbraw/zinc/74/45/96/1273744596.db2.gz AZWPWJPTELPOAY-OAGGEKHMSA-N 2 1 371.489 0.844 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cnn[nH]4)CC3)C2)C1 ZINC001576877370 1273858667 /nfs/dbraw/zinc/85/86/67/1273858667.db2.gz UZLCPODYONVCCH-KSTDHSDQSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]Cc4c[nH]nn4)CC3)C2)C1 ZINC001576877370 1273858675 /nfs/dbraw/zinc/85/86/75/1273858675.db2.gz UZLCPODYONVCCH-KSTDHSDQSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]Cc4c[nH]nn4)CC3)C2)C1 ZINC001576877370 1273858681 /nfs/dbraw/zinc/85/86/81/1273858681.db2.gz UZLCPODYONVCCH-KSTDHSDQSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cn[nH]n4)CC3)C2)C1 ZINC001576877370 1273858689 /nfs/dbraw/zinc/85/86/89/1273858689.db2.gz UZLCPODYONVCCH-KSTDHSDQSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cn[nH]n4)CC3)C2)C1 ZINC001576877370 1273858694 /nfs/dbraw/zinc/85/86/94/1273858694.db2.gz UZLCPODYONVCCH-KSTDHSDQSA-N 2 1 362.478 0.386 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576993760 1274025558 /nfs/dbraw/zinc/02/55/58/1274025558.db2.gz ADAIYEZWXOCLDI-LSDHHAIUSA-N 2 1 363.510 0.782 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCOCC1 ZINC001577068443 1274131201 /nfs/dbraw/zinc/13/12/01/1274131201.db2.gz GLQVSTALZSPYKS-FUHWJXTLSA-N 2 1 356.511 0.619 20 0 FCADMP CCC(CC)[C@H](CNC(=O)c1cn(C2C[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC001577068764 1274133275 /nfs/dbraw/zinc/13/32/75/1274133275.db2.gz IPSZSBKSMYLEJU-INIZCTEOSA-N 2 1 350.467 0.289 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH2+]CCc3cn[nH]n3)CC2)CC[N@H+]1C ZINC001577211929 1274253741 /nfs/dbraw/zinc/25/37/41/1274253741.db2.gz UYVDCKDSIRTDFZ-GJZGRUSLSA-N 2 1 364.494 0.021 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH2+]CCc3c[nH]nn3)CC2)CC[N@@H+]1C ZINC001577211929 1274253745 /nfs/dbraw/zinc/25/37/45/1274253745.db2.gz UYVDCKDSIRTDFZ-GJZGRUSLSA-N 2 1 364.494 0.021 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCC(O)(C[NH2+]CCc3c[nH]nn3)CC2)CC[N@H+]1C ZINC001577211929 1274253749 /nfs/dbraw/zinc/25/37/49/1274253749.db2.gz UYVDCKDSIRTDFZ-GJZGRUSLSA-N 2 1 364.494 0.021 20 0 FCADMP CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCC[NH2+]2)n1CCn1cc[nH+]c1C ZINC001577236032 1274270881 /nfs/dbraw/zinc/27/08/81/1274270881.db2.gz ADFMGMZZQWLTON-GJZGRUSLSA-N 2 1 372.477 0.623 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC001577535681 1274477706 /nfs/dbraw/zinc/47/77/06/1274477706.db2.gz FVXCFNQDTDSRIY-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550282 1274489614 /nfs/dbraw/zinc/48/96/14/1274489614.db2.gz CGNHPYPAXVSESI-ZIAGYGMSSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577554076 1274495692 /nfs/dbraw/zinc/49/56/92/1274495692.db2.gz PEMKFQSDLJMULA-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560377 1274508386 /nfs/dbraw/zinc/50/83/86/1274508386.db2.gz CZQVOMFLPASVKA-CYBMUJFWSA-N 2 1 360.466 0.853 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577565372 1274520034 /nfs/dbraw/zinc/52/00/34/1274520034.db2.gz RZVOQCUYRGBSOR-HIFRSBDPSA-N 2 1 372.477 0.995 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577568080 1274527013 /nfs/dbraw/zinc/52/70/13/1274527013.db2.gz MEQYFKYAMNZILW-UONOGXRCSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577574123 1274537593 /nfs/dbraw/zinc/53/75/93/1274537593.db2.gz OUZSJAIABHCHJY-UKRRQHHQSA-N 2 1 372.477 0.935 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577574123 1274537596 /nfs/dbraw/zinc/53/75/96/1274537596.db2.gz OUZSJAIABHCHJY-UKRRQHHQSA-N 2 1 372.477 0.935 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666318 1274685931 /nfs/dbraw/zinc/68/59/31/1274685931.db2.gz ZHHWERNOFIRLTQ-CJNGLKHVSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669150 1274694989 /nfs/dbraw/zinc/69/49/89/1274694989.db2.gz OWBWOQIQWHBMKN-CZUORRHYSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672944 1274704503 /nfs/dbraw/zinc/70/45/03/1274704503.db2.gz DJMPQGDWDCWPSO-DOMZBBRYSA-N 2 1 358.450 0.475 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673364 1274707273 /nfs/dbraw/zinc/70/72/73/1274707273.db2.gz JTZUECMZNDFFDU-XEZPLFJOSA-N 2 1 370.461 0.617 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849302 1274983397 /nfs/dbraw/zinc/98/33/97/1274983397.db2.gz IQXPUUHGPVXZFL-UHFFFAOYSA-N 2 1 360.466 0.807 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577856306 1275013007 /nfs/dbraw/zinc/01/30/07/1275013007.db2.gz WSDKXNKRFHOMHV-KGLIPLIRSA-N 2 1 372.477 0.817 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862723 1275031230 /nfs/dbraw/zinc/03/12/30/1275031230.db2.gz JIHSDOBJIXXBBY-KBPBESRZSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577863755 1275038068 /nfs/dbraw/zinc/03/80/68/1275038068.db2.gz ZJDLGUZIVKTJJE-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867232 1275050433 /nfs/dbraw/zinc/05/04/33/1275050433.db2.gz YHLCZNBUCGHWBG-UHFFFAOYSA-N 2 1 372.477 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577869422 1275052996 /nfs/dbraw/zinc/05/29/96/1275052996.db2.gz BTYVTLWXVYAGDU-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCOCC3)c1 ZINC001577881076 1275079525 /nfs/dbraw/zinc/07/95/25/1275079525.db2.gz IIAYKHYYAGXKPQ-HOTGVXAUSA-N 2 1 353.488 0.971 20 0 FCADMP O=C(C[NH+]1CCCC1)NCCCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001577922821 1275131938 /nfs/dbraw/zinc/13/19/38/1275131938.db2.gz JZYLKMQKRAFFDB-UHFFFAOYSA-N 2 1 363.510 0.305 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[C@H]1CC[NH2+]C1 ZINC001578142195 1275441685 /nfs/dbraw/zinc/44/16/85/1275441685.db2.gz OEBMKBDYGKFTRB-HZPDHXFCSA-N 2 1 364.494 0.335 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[C@H]1CC[NH2+]C1 ZINC001578142195 1275441688 /nfs/dbraw/zinc/44/16/88/1275441688.db2.gz OEBMKBDYGKFTRB-HZPDHXFCSA-N 2 1 364.494 0.335 20 0 FCADMP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001578181042 1275471201 /nfs/dbraw/zinc/47/12/01/1275471201.db2.gz AJMDFYMMMBRSEQ-KGLIPLIRSA-N 2 1 372.477 0.853 20 0 FCADMP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001578181872 1275472414 /nfs/dbraw/zinc/47/24/14/1275472414.db2.gz ZAOLZJWPZFIUKQ-HIFRSBDPSA-N 2 1 372.477 0.995 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)CC1 ZINC001578216155 1275509164 /nfs/dbraw/zinc/50/91/64/1275509164.db2.gz ZHIUFRMIFLOZMJ-CQSZACIVSA-N 2 1 371.493 0.899 20 0 FCADMP CC[N@@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578217837 1275511622 /nfs/dbraw/zinc/51/16/22/1275511622.db2.gz RBNWCOOMBBQDCM-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578217837 1275511627 /nfs/dbraw/zinc/51/16/27/1275511627.db2.gz RBNWCOOMBBQDCM-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578315631 1275654842 /nfs/dbraw/zinc/65/48/42/1275654842.db2.gz VBFLAHHMIPHYHK-IAGOWNOFSA-N 2 1 363.554 0.912 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001578397580 1275772570 /nfs/dbraw/zinc/77/25/70/1275772570.db2.gz RGJXDHINBDKCKB-CABCVRRESA-N 2 1 353.511 0.616 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446629 1275831925 /nfs/dbraw/zinc/83/19/25/1275831925.db2.gz DGYGVEMLVZRGAK-DVOMOZLQSA-N 2 1 372.477 0.721 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001578466781 1275878977 /nfs/dbraw/zinc/87/89/77/1275878977.db2.gz WJUCJPBLVIVPIF-UHFFFAOYSA-N 2 1 358.508 0.962 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CCN1CC[NH2+]CC1 ZINC001578471944 1275883691 /nfs/dbraw/zinc/88/36/91/1275883691.db2.gz UXFYAMRMFRDHCG-UHFFFAOYSA-N 2 1 359.518 0.562 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578525604 1275958131 /nfs/dbraw/zinc/95/81/31/1275958131.db2.gz JPXSKZXRQJEQEA-KSSFIOAISA-N 2 1 357.462 0.192 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001578525931 1275958974 /nfs/dbraw/zinc/95/89/74/1275958974.db2.gz UIFYZADFNHBSTQ-LPHOPBHVSA-N 2 1 374.464 0.612 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578526001 1275960048 /nfs/dbraw/zinc/96/00/48/1275960048.db2.gz WPZXJOJIQJKNMX-VQIMIIECSA-N 2 1 371.489 0.116 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C3C[NH2+]C3)c2)CC1 ZINC001578530750 1275961768 /nfs/dbraw/zinc/96/17/68/1275961768.db2.gz PLSVJJUWFIAVDJ-UHFFFAOYSA-N 2 1 352.460 0.171 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C3C[NH2+]C3)c2)CC1 ZINC001578530750 1275961770 /nfs/dbraw/zinc/96/17/70/1275961770.db2.gz PLSVJJUWFIAVDJ-UHFFFAOYSA-N 2 1 352.460 0.171 20 0 FCADMP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001578576010 1276008170 /nfs/dbraw/zinc/00/81/70/1276008170.db2.gz MTUJHUCTWOTAMQ-IIAWOOMASA-N 2 1 358.494 0.959 20 0 FCADMP C[NH2+][C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)CCOC)C1 ZINC001578601277 1276033717 /nfs/dbraw/zinc/03/37/17/1276033717.db2.gz AYBXXBVHRFRJLZ-HOTGVXAUSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578611645 1276046367 /nfs/dbraw/zinc/04/63/67/1276046367.db2.gz SREBDIJNZNCAEP-AUUYWEPGSA-N 2 1 374.464 0.949 20 0 FCADMP C[NH2+]C[C@H](O)CN(C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001578646744 1276096679 /nfs/dbraw/zinc/09/66/79/1276096679.db2.gz IXLYRVPSUWSJCD-KRWDZBQOSA-N 2 1 350.463 0.605 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578660835 1276109863 /nfs/dbraw/zinc/10/98/63/1276109863.db2.gz SGLVJNSPKCGKDZ-YJBOKZPZSA-N 2 1 350.511 0.904 20 0 FCADMP C[NH2+]C[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578660832 1276109972 /nfs/dbraw/zinc/10/99/72/1276109972.db2.gz SGLVJNSPKCGKDZ-CRAIPNDOSA-N 2 1 350.511 0.904 20 0 FCADMP CO[C@@H]1C[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936584 1276479630 /nfs/dbraw/zinc/47/96/30/1276479630.db2.gz WCXFPLTUPUVXHU-DLBZAZTESA-N 2 1 359.474 0.313 20 0 FCADMP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578968540 1276513011 /nfs/dbraw/zinc/51/30/11/1276513011.db2.gz JEEFBLJJHJBMOR-ZDUSSCGKSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578972718 1276517725 /nfs/dbraw/zinc/51/77/25/1276517725.db2.gz BEPLQALTJULAEK-HNNXBMFYSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001578976345 1276528144 /nfs/dbraw/zinc/52/81/44/1276528144.db2.gz VYLYVRBUNNCSNQ-CRAIPNDOSA-N 2 1 370.461 0.831 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578976807 1276530436 /nfs/dbraw/zinc/53/04/36/1276530436.db2.gz FXOXOOGIXQWTNF-ZFWWWQNUSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578980522 1276540160 /nfs/dbraw/zinc/54/01/60/1276540160.db2.gz JRPCVVLLSXUIMR-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578980552 1276540772 /nfs/dbraw/zinc/54/07/72/1276540772.db2.gz KUBCMRDHYBYNKR-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578984290 1276549867 /nfs/dbraw/zinc/54/98/67/1276549867.db2.gz ZYHBYEYXZVIWBC-UHFFFAOYSA-N 2 1 358.450 0.642 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001578987678 1276557248 /nfs/dbraw/zinc/55/72/48/1276557248.db2.gz NOJJVZLULGVVSM-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001578987678 1276557251 /nfs/dbraw/zinc/55/72/51/1276557251.db2.gz NOJJVZLULGVVSM-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578987525 1276557584 /nfs/dbraw/zinc/55/75/84/1276557584.db2.gz IEFIAXSCWJAHSL-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578988146 1276559203 /nfs/dbraw/zinc/55/92/03/1276559203.db2.gz QAAPCDNSQRVTQE-QLPKVWCKSA-N 2 1 355.446 0.365 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579011207 1276584914 /nfs/dbraw/zinc/58/49/14/1276584914.db2.gz YJJYXMDOVYXOND-JOCQHMNTSA-N 2 1 372.477 0.721 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021272 1276598994 /nfs/dbraw/zinc/59/89/94/1276598994.db2.gz LKLWLZIPKKSPGZ-HOTGVXAUSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021273 1276599456 /nfs/dbraw/zinc/59/94/56/1276599456.db2.gz LKLWLZIPKKSPGZ-HZPDHXFCSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579022110 1276599585 /nfs/dbraw/zinc/59/95/85/1276599585.db2.gz RWXXKRNWXZVDNF-OAHLLOKOSA-N 2 1 359.478 0.846 20 0 FCADMP COCC[N@@H+](C)CCn1c(CC(C)C)nnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001579022489 1276601879 /nfs/dbraw/zinc/60/18/79/1276601879.db2.gz XBOHBQLVNIHHFX-IYBDPMFKSA-N 2 1 350.511 0.710 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579027828 1276611499 /nfs/dbraw/zinc/61/14/99/1276611499.db2.gz QTOPQRYYJQUSDS-DLBZAZTESA-N 2 1 356.511 0.883 20 0 FCADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH3+])CC1 ZINC001579038535 1276625285 /nfs/dbraw/zinc/62/52/85/1276625285.db2.gz IDGJUAHTEKWVFZ-UHFFFAOYSA-N 2 1 362.482 0.184 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2C[NH2+]C2)C[C@H]1C ZINC001579039611 1276627406 /nfs/dbraw/zinc/62/74/06/1276627406.db2.gz WJZWKLADQMVQOQ-CQSZACIVSA-N 2 1 372.477 0.111 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001579133621 1276836333 /nfs/dbraw/zinc/83/63/33/1276836333.db2.gz ZHSPVGGMLDCQHD-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579133621 1276836352 /nfs/dbraw/zinc/83/63/52/1276836352.db2.gz ZHSPVGGMLDCQHD-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579133621 1276836370 /nfs/dbraw/zinc/83/63/70/1276836370.db2.gz ZHSPVGGMLDCQHD-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579186516 1276954809 /nfs/dbraw/zinc/95/48/09/1276954809.db2.gz ILYVZQKULWMHDB-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579186516 1276954810 /nfs/dbraw/zinc/95/48/10/1276954810.db2.gz ILYVZQKULWMHDB-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579186516 1276954814 /nfs/dbraw/zinc/95/48/14/1276954814.db2.gz ILYVZQKULWMHDB-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC001579194683 1276970282 /nfs/dbraw/zinc/97/02/82/1276970282.db2.gz ODVNGRQXTFUMSR-CVEARBPZSA-N 2 1 357.476 0.206 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001579215108 1277011082 /nfs/dbraw/zinc/01/10/82/1277011082.db2.gz XYJHDGYTGMQOKP-XJKSGUPXSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579256376 1277052119 /nfs/dbraw/zinc/05/21/19/1277052119.db2.gz UUZOGMDIOLERTH-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579256376 1277052120 /nfs/dbraw/zinc/05/21/20/1277052120.db2.gz UUZOGMDIOLERTH-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579256376 1277052124 /nfs/dbraw/zinc/05/21/24/1277052124.db2.gz UUZOGMDIOLERTH-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579262967 1277062359 /nfs/dbraw/zinc/06/23/59/1277062359.db2.gz YFIZABUESKXBRY-INIZCTEOSA-N 2 1 369.473 0.995 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579327295 1277155689 /nfs/dbraw/zinc/15/56/89/1277155689.db2.gz ZFRSGFSNWPMUIO-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579327295 1277155692 /nfs/dbraw/zinc/15/56/92/1277155692.db2.gz ZFRSGFSNWPMUIO-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579327295 1277155696 /nfs/dbraw/zinc/15/56/96/1277155696.db2.gz ZFRSGFSNWPMUIO-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328556 1277157717 /nfs/dbraw/zinc/15/77/17/1277157717.db2.gz CREAJFYBVGQAOT-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328556 1277157718 /nfs/dbraw/zinc/15/77/18/1277157718.db2.gz CREAJFYBVGQAOT-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328556 1277157719 /nfs/dbraw/zinc/15/77/19/1277157719.db2.gz CREAJFYBVGQAOT-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328556 1277157720 /nfs/dbraw/zinc/15/77/20/1277157720.db2.gz CREAJFYBVGQAOT-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331243 1277159994 /nfs/dbraw/zinc/15/99/94/1277159994.db2.gz BNQKZXQVIIYDGW-ZDUSSCGKSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331691 1277163541 /nfs/dbraw/zinc/16/35/41/1277163541.db2.gz GPYIXTPUKBFDOS-IAGOWNOFSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334294 1277170880 /nfs/dbraw/zinc/17/08/80/1277170880.db2.gz WLRRVBDSHDOJIG-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334294 1277170881 /nfs/dbraw/zinc/17/08/81/1277170881.db2.gz WLRRVBDSHDOJIG-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334294 1277170883 /nfs/dbraw/zinc/17/08/83/1277170883.db2.gz WLRRVBDSHDOJIG-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334290 1277171140 /nfs/dbraw/zinc/17/11/40/1277171140.db2.gz WLRRVBDSHDOJIG-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334290 1277171141 /nfs/dbraw/zinc/17/11/41/1277171141.db2.gz WLRRVBDSHDOJIG-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334290 1277171142 /nfs/dbraw/zinc/17/11/42/1277171142.db2.gz WLRRVBDSHDOJIG-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335804 1277175441 /nfs/dbraw/zinc/17/54/41/1277175441.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335804 1277175448 /nfs/dbraw/zinc/17/54/48/1277175448.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335804 1277175453 /nfs/dbraw/zinc/17/54/53/1277175453.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339827 1277183642 /nfs/dbraw/zinc/18/36/42/1277183642.db2.gz NNNUFJINDMMHSK-MUYACECFSA-N 2 1 373.486 0.426 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339827 1277183643 /nfs/dbraw/zinc/18/36/43/1277183643.db2.gz NNNUFJINDMMHSK-MUYACECFSA-N 2 1 373.486 0.426 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339827 1277183644 /nfs/dbraw/zinc/18/36/44/1277183644.db2.gz NNNUFJINDMMHSK-MUYACECFSA-N 2 1 373.486 0.426 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340294 1277185233 /nfs/dbraw/zinc/18/52/33/1277185233.db2.gz TYBSFMLEJMXRFC-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340294 1277185236 /nfs/dbraw/zinc/18/52/36/1277185236.db2.gz TYBSFMLEJMXRFC-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340294 1277185238 /nfs/dbraw/zinc/18/52/38/1277185238.db2.gz TYBSFMLEJMXRFC-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341466 1277188745 /nfs/dbraw/zinc/18/87/45/1277188745.db2.gz MSAKPZXILVNVDC-UONOGXRCSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579347953 1277203696 /nfs/dbraw/zinc/20/36/96/1277203696.db2.gz RCJVGKKFXXKBMD-XIRDDKMYSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347963 1277204095 /nfs/dbraw/zinc/20/40/95/1277204095.db2.gz RHLWNXPBLYSYNB-STQMWFEESA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347963 1277204099 /nfs/dbraw/zinc/20/40/99/1277204099.db2.gz RHLWNXPBLYSYNB-STQMWFEESA-N 2 1 356.434 0.298 20 0 FCADMP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC001579350340 1277205874 /nfs/dbraw/zinc/20/58/74/1277205874.db2.gz ONBAFCQVNYQSEA-LLVKDONJSA-N 2 1 355.382 0.609 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353089 1277209447 /nfs/dbraw/zinc/20/94/47/1277209447.db2.gz CVZXKLMHIKDKOJ-CZUORRHYSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354288 1277216903 /nfs/dbraw/zinc/21/69/03/1277216903.db2.gz YCURQHMLKIACMB-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353922 1277217636 /nfs/dbraw/zinc/21/76/36/1277217636.db2.gz WPVSXBBRQPVEDZ-OAHLLOKOSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579356887 1277222757 /nfs/dbraw/zinc/22/27/57/1277222757.db2.gz PFPJVUHGEYTNIC-BDVYOWHSSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358688 1277226572 /nfs/dbraw/zinc/22/65/72/1277226572.db2.gz IEMWVHRBFZWAAX-SJORKVTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363140 1277240815 /nfs/dbraw/zinc/24/08/15/1277240815.db2.gz WEJFFNGFEXQNMM-LZWOXQAQSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362563 1277242444 /nfs/dbraw/zinc/24/24/44/1277242444.db2.gz SOTKTAVRVXGZDF-IIAWOOMASA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380894 1277258484 /nfs/dbraw/zinc/25/84/84/1277258484.db2.gz BAAVPNCKILEYOC-DYEKYZERSA-N 2 1 373.486 0.917 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380894 1277258494 /nfs/dbraw/zinc/25/84/94/1277258494.db2.gz BAAVPNCKILEYOC-DYEKYZERSA-N 2 1 373.486 0.917 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380894 1277258508 /nfs/dbraw/zinc/25/85/08/1277258508.db2.gz BAAVPNCKILEYOC-DYEKYZERSA-N 2 1 373.486 0.917 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001579444517 1277331130 /nfs/dbraw/zinc/33/11/30/1277331130.db2.gz QWUSPICMUVNFAQ-RDTXWAMCSA-N 2 1 357.462 0.205 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+]CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC001579471452 1277373730 /nfs/dbraw/zinc/37/37/30/1277373730.db2.gz JAVWRDAMIAQRLO-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+]CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC001579471452 1277373740 /nfs/dbraw/zinc/37/37/40/1277373740.db2.gz JAVWRDAMIAQRLO-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001579475685 1277381765 /nfs/dbraw/zinc/38/17/65/1277381765.db2.gz MJAWGYZSZZFMGB-ZBFHGGJFSA-N 2 1 359.474 0.379 20 0 FCADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529935 1277492635 /nfs/dbraw/zinc/49/26/35/1277492635.db2.gz ONKPYTHZGWGWJF-UZLBHIALSA-N 2 1 355.486 0.975 20 0 FCADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529933 1277493176 /nfs/dbraw/zinc/49/31/76/1277493176.db2.gz ONKPYTHZGWGWJF-OXQOHEQNSA-N 2 1 355.486 0.975 20 0 FCADMP Cc1[nH+]ccn1CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)CC1 ZINC001579882974 1277948584 /nfs/dbraw/zinc/94/85/84/1277948584.db2.gz ICHTYKQLPZRUFD-HNNXBMFYSA-N 2 1 372.477 0.277 20 0 FCADMP Cc1[nH+]ccn1CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)CC1 ZINC001579882978 1277949020 /nfs/dbraw/zinc/94/90/20/1277949020.db2.gz ICHTYKQLPZRUFD-OAHLLOKOSA-N 2 1 372.477 0.277 20 0 FCADMP Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579911428 1277959277 /nfs/dbraw/zinc/95/92/77/1277959277.db2.gz PIXJMJUSCZQMHU-JKSUJKDBSA-N 2 1 363.510 0.314 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001714324082 1287318856 /nfs/dbraw/zinc/31/88/56/1287318856.db2.gz DGGQBMLENRTNQQ-HRCADAONSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580271039 1278064289 /nfs/dbraw/zinc/06/42/89/1278064289.db2.gz ZRAKYOIHFBWNEM-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001580279926 1278079795 /nfs/dbraw/zinc/07/97/95/1278079795.db2.gz MXLVYCIYOVDRKW-ZDUSSCGKSA-N 2 1 357.462 0.945 20 0 FCADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC001580857873 1279052907 /nfs/dbraw/zinc/05/29/07/1279052907.db2.gz ADONYCHRAWAMCS-JONQDZQNSA-N 2 1 353.463 0.300 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001603200469 1287328117 /nfs/dbraw/zinc/32/81/17/1287328117.db2.gz BOCVRGPGGAOAEM-INIZCTEOSA-N 2 1 372.477 0.887 20 0 FCADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956710 1279160086 /nfs/dbraw/zinc/16/00/86/1279160086.db2.gz MOVOOUAOCGZNMS-UONOGXRCSA-N 2 1 370.461 0.464 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959673 1279163339 /nfs/dbraw/zinc/16/33/39/1279163339.db2.gz YYHODPPARWTDJT-HZSPNIEDSA-N 2 1 370.461 0.605 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961806 1279165320 /nfs/dbraw/zinc/16/53/20/1279165320.db2.gz LGRSJRYKONHJFW-CYBMUJFWSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968032 1279168857 /nfs/dbraw/zinc/16/88/57/1279168857.db2.gz GLNISPDRMRZPMP-CQSZACIVSA-N 2 1 370.461 0.561 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970388 1279171522 /nfs/dbraw/zinc/17/15/22/1279171522.db2.gz MYTHLSGAUXKGOO-HNNXBMFYSA-N 2 1 370.461 0.703 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972913 1279172743 /nfs/dbraw/zinc/17/27/43/1279172743.db2.gz MAMLMKYKKZBIGG-OCCSQVGLSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987828 1279186662 /nfs/dbraw/zinc/18/66/62/1279186662.db2.gz MPSGCZNOPHLPCG-LRDDRELGSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988981 1279188904 /nfs/dbraw/zinc/18/89/04/1279188904.db2.gz VBMJWNNGVIWKRU-AAEUAGOBSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006132 1279224913 /nfs/dbraw/zinc/22/49/13/1279224913.db2.gz LKQYBNZJGGIQAF-KBPBESRZSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013789 1279241025 /nfs/dbraw/zinc/24/10/25/1279241025.db2.gz WCWOGZWEKRFZCC-MRVWCRGKSA-N 2 1 372.477 0.496 20 0 FCADMP Cc1cc(NC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015818 1279244392 /nfs/dbraw/zinc/24/43/92/1279244392.db2.gz DODYHJBUNNHGGX-CVEARBPZSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027722 1279263446 /nfs/dbraw/zinc/26/34/46/1279263446.db2.gz VWZZQHCZNSFQMX-TZMCWYRMSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039418 1279277898 /nfs/dbraw/zinc/27/78/98/1279277898.db2.gz YJZHFJWLJZMMJB-AVGNSLFASA-N 2 1 356.434 0.003 20 0 FCADMP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603259935 1287342582 /nfs/dbraw/zinc/34/25/82/1287342582.db2.gz QWCMIDQUYRIFCG-CRAIPNDOSA-N 2 1 357.462 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581339599 1279722502 /nfs/dbraw/zinc/72/25/02/1279722502.db2.gz IVRJTDSQOCGKNF-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)[C@H]1CCC[NH2+]C1 ZINC001603610668 1287442402 /nfs/dbraw/zinc/44/24/02/1287442402.db2.gz CUFCXWSKTJQWPY-HZUKXOBISA-N 2 1 355.446 0.558 20 0 FCADMP C[C@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1)C(N)=O ZINC001718034272 1287453783 /nfs/dbraw/zinc/45/37/83/1287453783.db2.gz GCHOHCVPPHNTKL-YWPYICTPSA-N 2 1 350.438 0.746 20 0 FCADMP C[C@]1(CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC[NH2+]C1 ZINC001603802720 1287502190 /nfs/dbraw/zinc/50/21/90/1287502190.db2.gz PFEAOAKHXRDYBP-YJBOKZPZSA-N 2 1 355.446 0.559 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001589467329 1282889540 /nfs/dbraw/zinc/88/95/40/1282889540.db2.gz QFAXAIKFMDMKRP-CVEARBPZSA-N 2 1 357.462 0.885 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001590269310 1283395375 /nfs/dbraw/zinc/39/53/75/1283395375.db2.gz LYBQVUJMDDSCHW-HSBZDZAISA-N 2 1 370.461 0.427 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001590269186 1283396581 /nfs/dbraw/zinc/39/65/81/1283396581.db2.gz QSYHJMCVPMLISO-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271266 1283398763 /nfs/dbraw/zinc/39/87/63/1283398763.db2.gz YSTCJPXHDDSQEX-MPNWYJEXSA-N 2 1 369.473 0.971 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)CC1 ZINC001682241181 1283543344 /nfs/dbraw/zinc/54/33/44/1283543344.db2.gz BFYXJCRWZAZTCJ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(-c2nn[nH]n2)c1 ZINC001590732951 1283768712 /nfs/dbraw/zinc/76/87/12/1283768712.db2.gz LLLYZZTXSAUYEN-AWEZNQCLSA-N 2 1 361.450 0.948 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(-c2nn[nH]n2)c1 ZINC001590732951 1283768725 /nfs/dbraw/zinc/76/87/25/1283768725.db2.gz LLLYZZTXSAUYEN-AWEZNQCLSA-N 2 1 361.450 0.948 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175091 1284261744 /nfs/dbraw/zinc/26/17/44/1284261744.db2.gz GOOIBNLHWDDMRA-WOMSROEHSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176261 1284269859 /nfs/dbraw/zinc/26/98/59/1284269859.db2.gz MLIHRNZFAUEQKO-WOMSROEHSA-N 2 1 369.473 0.971 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186576 1284295769 /nfs/dbraw/zinc/29/57/69/1284295769.db2.gz UGXGRTTYYGDDNT-PYLYLYNFSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1(C)C ZINC001591193634 1284312373 /nfs/dbraw/zinc/31/23/73/1284312373.db2.gz UNLFVYQVXSARLT-UHFFFAOYSA-N 2 1 370.465 0.025 20 0 FCADMP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@]2(C)C1 ZINC001591196762 1284320822 /nfs/dbraw/zinc/32/08/22/1284320822.db2.gz YIEYUBYCICLZJB-OGWOLHLISA-N 2 1 367.457 0.464 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@]2(C)C1 ZINC001591196762 1284320836 /nfs/dbraw/zinc/32/08/36/1284320836.db2.gz YIEYUBYCICLZJB-OGWOLHLISA-N 2 1 367.457 0.464 20 0 FCADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[nH]n1 ZINC001591526492 1284712368 /nfs/dbraw/zinc/71/23/68/1284712368.db2.gz SOPVRQLNBSMGKW-CYBMUJFWSA-N 2 1 359.434 0.162 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753898 1284883324 /nfs/dbraw/zinc/88/33/24/1284883324.db2.gz GTMIKCRCEHBFPF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753898 1284883337 /nfs/dbraw/zinc/88/33/37/1284883337.db2.gz GTMIKCRCEHBFPF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753898 1284883345 /nfs/dbraw/zinc/88/33/45/1284883345.db2.gz GTMIKCRCEHBFPF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC001591774700 1284893875 /nfs/dbraw/zinc/89/38/75/1284893875.db2.gz VNZCKOCRYOLQFF-BBRMVZONSA-N 2 1 357.462 0.803 20 0 FCADMP Cc1cc(N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000832 1285051450 /nfs/dbraw/zinc/05/14/50/1285051450.db2.gz ZKSSVTCZCIWQEE-ACJLOTCBSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592004441 1285053354 /nfs/dbraw/zinc/05/33/54/1285053354.db2.gz MAMLMKYKKZBIGG-TZMCWYRMSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592419193 1285344546 /nfs/dbraw/zinc/34/45/46/1285344546.db2.gz NYPFHOLGQBJRDL-IHWYPQMZSA-N 2 1 366.429 0.834 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001604849233 1287797401 /nfs/dbraw/zinc/79/74/01/1287797401.db2.gz GBOCUDNOWGEOMH-JYJNAYRXSA-N 2 1 355.446 0.555 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CCc3ccc(-c4nn[nH]n4)cc3)nn2)CC1 ZINC001592740287 1285657232 /nfs/dbraw/zinc/65/72/32/1285657232.db2.gz GOONUOXPIJDDHM-UHFFFAOYSA-N 2 1 367.461 0.667 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742284 1285659732 /nfs/dbraw/zinc/65/97/32/1285659732.db2.gz ZAGOWSWTNALJFA-TXKWRHDYSA-N 2 1 353.430 0.392 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC001592747553 1285667579 /nfs/dbraw/zinc/66/75/79/1285667579.db2.gz SBRXRDRDWOUVQX-KRWDZBQOSA-N 2 1 363.425 0.829 20 0 FCADMP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC001593508430 1286188380 /nfs/dbraw/zinc/18/83/80/1286188380.db2.gz RWJGVIGUKKNCCJ-HNNXBMFYSA-N 2 1 358.446 0.823 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2([NH+](C)C)CCC2)C2CC2)CC[N@H+]1C ZINC001704400362 1286243001 /nfs/dbraw/zinc/24/30/01/1286243001.db2.gz HMLFQBSLNDVDPP-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001704887124 1286315718 /nfs/dbraw/zinc/31/57/18/1286315718.db2.gz CUAVLCOPPHIYOV-UKRRQHHQSA-N 2 1 365.478 0.607 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001704887124 1286315728 /nfs/dbraw/zinc/31/57/28/1286315728.db2.gz CUAVLCOPPHIYOV-UKRRQHHQSA-N 2 1 365.478 0.607 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)CCC1 ZINC001735962482 1289093274 /nfs/dbraw/zinc/09/32/74/1289093274.db2.gz WGNBIKJEIQGPBK-CABCVRRESA-N 2 1 368.522 0.137 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854945 1287800406 /nfs/dbraw/zinc/80/04/06/1287800406.db2.gz VELBBPHEGGTGOS-ZRMMWKCHSA-N 2 1 356.434 0.110 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001719282773 1288020325 /nfs/dbraw/zinc/02/03/25/1288020325.db2.gz GIFZFVBNPTWAHV-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001719282773 1288020327 /nfs/dbraw/zinc/02/03/27/1288020327.db2.gz GIFZFVBNPTWAHV-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001719282773 1288020330 /nfs/dbraw/zinc/02/03/30/1288020330.db2.gz GIFZFVBNPTWAHV-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1cc(N(CCNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688942 1288050792 /nfs/dbraw/zinc/05/07/92/1288050792.db2.gz HMSLLZJKGZBWQC-HNNXBMFYSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001605733909 1288066830 /nfs/dbraw/zinc/06/68/30/1288066830.db2.gz ODVPNDPTAFVQQE-UHFFFAOYSA-N 2 1 355.406 0.115 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001732062933 1288572653 /nfs/dbraw/zinc/57/26/53/1288572653.db2.gz CKPRNXBCTCIBTF-CEXWTWQISA-N 2 1 366.550 0.972 20 0 FCADMP O[C@@H](C[NH2+][C@@H]1CCc2c[nH+]cn2C1)COc1ccccc1-c1nn[nH]n1 ZINC001607093972 1288657818 /nfs/dbraw/zinc/65/78/18/1288657818.db2.gz HKUGJMJQPOTXDS-OCCSQVGLSA-N 2 1 355.402 0.408 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001736233132 1289212327 /nfs/dbraw/zinc/21/23/27/1289212327.db2.gz FJCWOLIECIJDMQ-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CCO ZINC001691901835 1289337867 /nfs/dbraw/zinc/33/78/67/1289337867.db2.gz WMHHABKPKWIPFV-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001692182635 1289419526 /nfs/dbraw/zinc/41/95/26/1289419526.db2.gz LAMYYYRRWJBREB-FGTMMUONSA-N 2 1 362.518 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NCC1CC1 ZINC001692182635 1289419534 /nfs/dbraw/zinc/41/95/34/1289419534.db2.gz LAMYYYRRWJBREB-FGTMMUONSA-N 2 1 362.518 0.824 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692288976 1289444511 /nfs/dbraw/zinc/44/45/11/1289444511.db2.gz DYIKECLFVBTCMS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692288976 1289444525 /nfs/dbraw/zinc/44/45/25/1289444525.db2.gz DYIKECLFVBTCMS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692288976 1289444530 /nfs/dbraw/zinc/44/45/30/1289444530.db2.gz DYIKECLFVBTCMS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc(N(C)C)no1 ZINC001698959765 1289538718 /nfs/dbraw/zinc/53/87/18/1289538718.db2.gz CSUCVNIOCXFKPM-MGPQQGTHSA-N 2 1 352.483 0.706 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nc(N(C)C)no1 ZINC001698959765 1289538723 /nfs/dbraw/zinc/53/87/23/1289538723.db2.gz CSUCVNIOCXFKPM-MGPQQGTHSA-N 2 1 352.483 0.706 20 0 FCADMP C[C@@H](CC[NH2+]CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699102942 1289546447 /nfs/dbraw/zinc/54/64/47/1289546447.db2.gz WJPNMIWXZGOBHW-YNEHKIRRSA-N 2 1 353.492 0.906 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001699650964 1289560797 /nfs/dbraw/zinc/56/07/97/1289560797.db2.gz IIRCZRWLSBPBAH-HRCADAONSA-N 2 1 371.547 0.780 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001699768385 1289565479 /nfs/dbraw/zinc/56/54/79/1289565479.db2.gz GSRCBJVRCICSQE-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001699768385 1289565487 /nfs/dbraw/zinc/56/54/87/1289565487.db2.gz GSRCBJVRCICSQE-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739458496 1290035569 /nfs/dbraw/zinc/03/55/69/1290035569.db2.gz YXWZQWIXWMCXJJ-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1OC ZINC001702320007 1290037795 /nfs/dbraw/zinc/03/77/95/1290037795.db2.gz JJMGGPJQVOPBGH-HUUCEWRRSA-N 2 1 351.451 0.026 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCN1CCC([NH+](C)C)CC1)n2C ZINC001629403057 1290599030 /nfs/dbraw/zinc/59/90/30/1290599030.db2.gz OWLPUCCHAPAISC-UHFFFAOYSA-N 2 1 373.505 0.790 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001752731950 1290614270 /nfs/dbraw/zinc/61/42/70/1290614270.db2.gz VGLLKINCOKFXIL-WISYIIOYSA-N 2 1 352.464 0.054 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001752941210 1290616591 /nfs/dbraw/zinc/61/65/91/1290616591.db2.gz FSTQDHKCBGJAHX-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](O)C2CCCCC2)CC[N@H+]1C ZINC001754882489 1290634101 /nfs/dbraw/zinc/63/41/01/1290634101.db2.gz FTXHUIFXXUWRPZ-KBAYOESNSA-N 2 1 355.523 0.678 20 0 FCADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001653481981 1291347363 /nfs/dbraw/zinc/34/73/63/1291347363.db2.gz BUMJWSOLABFZBN-APWZRJJASA-N 2 1 363.502 0.688 20 0 FCADMP C[NH+]1CCN(c2ncc(CNC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cn2)CC1 ZINC001657551508 1291613121 /nfs/dbraw/zinc/61/31/21/1291613121.db2.gz FYTMNNSAAQOZIZ-MOPGFXCFSA-N 2 1 374.533 0.696 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956304 1292286430 /nfs/dbraw/zinc/28/64/30/1292286430.db2.gz AWPCDSVVEPITOK-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956304 1292286437 /nfs/dbraw/zinc/28/64/37/1292286437.db2.gz AWPCDSVVEPITOK-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956304 1292286443 /nfs/dbraw/zinc/28/64/43/1292286443.db2.gz AWPCDSVVEPITOK-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601274 1292310348 /nfs/dbraw/zinc/31/03/48/1292310348.db2.gz KOVDAKJQWIMVBQ-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601274 1292310355 /nfs/dbraw/zinc/31/03/55/1292310355.db2.gz KOVDAKJQWIMVBQ-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601274 1292310361 /nfs/dbraw/zinc/31/03/61/1292310361.db2.gz KOVDAKJQWIMVBQ-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001688612886 1294512377 /nfs/dbraw/zinc/51/23/77/1294512377.db2.gz LSQPMRXKBNNQCG-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001688969181 1294555267 /nfs/dbraw/zinc/55/52/67/1294555267.db2.gz NNULNAJGUZKMTE-USXIJHARSA-N 2 1 368.522 0.496 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001688969181 1294555276 /nfs/dbraw/zinc/55/52/76/1294555276.db2.gz NNULNAJGUZKMTE-USXIJHARSA-N 2 1 368.522 0.496 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001689035552 1294580912 /nfs/dbraw/zinc/58/09/12/1294580912.db2.gz BXHZVQXRHQWWOZ-BPQIPLTHSA-N 2 1 363.506 0.682 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689083825 1294601821 /nfs/dbraw/zinc/60/18/21/1294601821.db2.gz PPABDJQMYDVOMG-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001689220517 1294675676 /nfs/dbraw/zinc/67/56/76/1294675676.db2.gz COLNDTIYTKHRDJ-SJORKVTESA-N 2 1 363.506 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001689230248 1294689782 /nfs/dbraw/zinc/68/97/82/1294689782.db2.gz UGOJVRWRJSFMEQ-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001689236893 1294697923 /nfs/dbraw/zinc/69/79/23/1294697923.db2.gz YDOPISQJTOCKSL-RYRKJORJSA-N 2 1 352.523 0.831 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001689291805 1294716431 /nfs/dbraw/zinc/71/64/31/1294716431.db2.gz IAVKDTSYBQZAAI-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001689291805 1294716435 /nfs/dbraw/zinc/71/64/35/1294716435.db2.gz IAVKDTSYBQZAAI-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCc1cccnc1 ZINC001689315012 1294740944 /nfs/dbraw/zinc/74/09/44/1294740944.db2.gz VWPKWTWWAWHGCH-WBVHZDCISA-N 2 1 361.490 0.619 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCc1cccnc1 ZINC001689315012 1294740950 /nfs/dbraw/zinc/74/09/50/1294740950.db2.gz VWPKWTWWAWHGCH-WBVHZDCISA-N 2 1 361.490 0.619 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C)C1CC1 ZINC001689328452 1294754487 /nfs/dbraw/zinc/75/44/87/1294754487.db2.gz SFQRIHDLSKTSAX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C)C1CC1 ZINC001689328452 1294754495 /nfs/dbraw/zinc/75/44/95/1294754495.db2.gz SFQRIHDLSKTSAX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C)C1CC1 ZINC001689328452 1294754503 /nfs/dbraw/zinc/75/45/03/1294754503.db2.gz SFQRIHDLSKTSAX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C)C1CC1 ZINC001689328452 1294754506 /nfs/dbraw/zinc/75/45/06/1294754506.db2.gz SFQRIHDLSKTSAX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@@H]1C)[NH+](C)C ZINC001689329722 1294754924 /nfs/dbraw/zinc/75/49/24/1294754924.db2.gz NBSRTEHZSRZXOX-FRRDWIJNSA-N 2 1 366.428 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001690338288 1294865319 /nfs/dbraw/zinc/86/53/19/1294865319.db2.gz RFRZUQKUEAYDHU-VDNDLQMASA-N 2 1 362.518 0.868 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1cn(C)nn1 ZINC001690622977 1294875912 /nfs/dbraw/zinc/87/59/12/1294875912.db2.gz CRJCZGYLJQUTBT-QGTPRVQTSA-N 2 1 356.474 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1cn(C)nn1 ZINC001690622977 1294875918 /nfs/dbraw/zinc/87/59/18/1294875918.db2.gz CRJCZGYLJQUTBT-QGTPRVQTSA-N 2 1 356.474 0.755 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001691786401 1294922668 /nfs/dbraw/zinc/92/26/68/1294922668.db2.gz YUVCIBWABCYTBI-KBUPBQIOSA-N 2 1 363.462 0.746 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164685784 719696167 /nfs/dbraw/zinc/69/61/67/719696167.db2.gz MAYHGTJCWURMGR-UHFFFAOYSA-N 2 1 358.490 0.346 20 0 FCADMP Cn1nnc2c1CCN(c1cc[nH+]c(N)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718148 720191301 /nfs/dbraw/zinc/19/13/01/720191301.db2.gz XRGLNOJWASNBQN-CQSZACIVSA-N 2 1 358.450 0.404 20 0 FCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001164734601 720529697 /nfs/dbraw/zinc/52/96/97/720529697.db2.gz REEBCLWEMWSGHZ-INIZCTEOSA-N 2 1 370.505 0.623 20 0 FCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164865669 721086603 /nfs/dbraw/zinc/08/66/03/721086603.db2.gz OEXURPXZQDQZQV-SJORKVTESA-N 2 1 352.442 0.955 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930816 721852969 /nfs/dbraw/zinc/85/29/69/721852969.db2.gz SUQZLZRBNHQFAC-LSDHHAIUSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930816 721852971 /nfs/dbraw/zinc/85/29/71/721852971.db2.gz SUQZLZRBNHQFAC-LSDHHAIUSA-N 2 1 350.898 0.990 20 0 FCADMP O=C(c1cccnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC001165040211 721913453 /nfs/dbraw/zinc/91/34/53/721913453.db2.gz ZRSSQCKKKFNMJE-INIZCTEOSA-N 2 1 359.474 0.428 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1)OC ZINC001070098801 837617164 /nfs/dbraw/zinc/61/71/64/837617164.db2.gz UADHJZGHFLGXBY-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1)OC ZINC001070098801 837617166 /nfs/dbraw/zinc/61/71/66/837617166.db2.gz UADHJZGHFLGXBY-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913523 837694499 /nfs/dbraw/zinc/69/44/99/837694499.db2.gz ONZIKKWAYLCGTJ-OAGGEKHMSA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913523 837694503 /nfs/dbraw/zinc/69/45/03/837694503.db2.gz ONZIKKWAYLCGTJ-OAGGEKHMSA-N 2 1 350.463 0.597 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913523 837694510 /nfs/dbraw/zinc/69/45/10/837694510.db2.gz ONZIKKWAYLCGTJ-OAGGEKHMSA-N 2 1 350.463 0.597 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913523 837694513 /nfs/dbraw/zinc/69/45/13/837694513.db2.gz ONZIKKWAYLCGTJ-OAGGEKHMSA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070926574 837703976 /nfs/dbraw/zinc/70/39/76/837703976.db2.gz JCGBQJYCUMECCO-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070926574 837703981 /nfs/dbraw/zinc/70/39/81/837703981.db2.gz JCGBQJYCUMECCO-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070926574 837703993 /nfs/dbraw/zinc/70/39/93/837703993.db2.gz JCGBQJYCUMECCO-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070926574 837704003 /nfs/dbraw/zinc/70/40/03/837704003.db2.gz JCGBQJYCUMECCO-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265195 837737010 /nfs/dbraw/zinc/73/70/10/837737010.db2.gz AXFMTKNMRMHHSA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265195 837737013 /nfs/dbraw/zinc/73/70/13/837737013.db2.gz AXFMTKNMRMHHSA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265195 837737019 /nfs/dbraw/zinc/73/70/19/837737019.db2.gz AXFMTKNMRMHHSA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265195 837737025 /nfs/dbraw/zinc/73/70/25/837737025.db2.gz AXFMTKNMRMHHSA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCCCO2)C3)O1 ZINC001072850456 837746393 /nfs/dbraw/zinc/74/63/93/837746393.db2.gz YLONQLOTOAUVTK-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCCCO2)C3)O1 ZINC001072850456 837746402 /nfs/dbraw/zinc/74/64/02/837746402.db2.gz YLONQLOTOAUVTK-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCCCO2)C3)O1 ZINC001072850456 837746411 /nfs/dbraw/zinc/74/64/11/837746411.db2.gz YLONQLOTOAUVTK-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCCCO2)C3)O1 ZINC001072850456 837746421 /nfs/dbraw/zinc/74/64/21/837746421.db2.gz YLONQLOTOAUVTK-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099324709 844023840 /nfs/dbraw/zinc/02/38/40/844023840.db2.gz AIOQPWTVKGBSIV-YNEHKIRRSA-N 2 1 364.412 0.571 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341596 844034346 /nfs/dbraw/zinc/03/43/46/844034346.db2.gz KHASUARKHPPZBS-IACUBPJLSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341596 844034354 /nfs/dbraw/zinc/03/43/54/844034354.db2.gz KHASUARKHPPZBS-IACUBPJLSA-N 2 1 359.396 0.851 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001100343568 844051603 /nfs/dbraw/zinc/05/16/03/844051603.db2.gz IQUCDODUXQOCHO-LHUBUQBQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(C)(C)C)C2)O1 ZINC001100438202 844053727 /nfs/dbraw/zinc/05/37/27/844053727.db2.gz UPECRACEWMNADU-XSCHDIRWSA-N 2 1 354.495 0.105 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(C)(C)C)C2)O1 ZINC001100438202 844053735 /nfs/dbraw/zinc/05/37/35/844053735.db2.gz UPECRACEWMNADU-XSCHDIRWSA-N 2 1 354.495 0.105 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000382750255 836050716 /nfs/dbraw/zinc/05/07/16/836050716.db2.gz FIOXMMRONCAFLT-QGZVFWFLSA-N 2 1 352.504 0.590 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266640 844126439 /nfs/dbraw/zinc/12/64/39/844126439.db2.gz MWPQEPJULNMIGE-AEFFLSMTSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000748049606 836279892 /nfs/dbraw/zinc/27/98/92/836279892.db2.gz LXRSAMWRFBGIIQ-GASCZTMLSA-N 2 1 355.483 0.672 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000748049606 836279903 /nfs/dbraw/zinc/27/99/03/836279903.db2.gz LXRSAMWRFBGIIQ-GASCZTMLSA-N 2 1 355.483 0.672 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@]2(C)C1 ZINC001101351689 844154870 /nfs/dbraw/zinc/15/48/70/844154870.db2.gz LKCPUXBEDRYHSZ-BEFAXECRSA-N 2 1 352.523 0.881 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339879 844152587 /nfs/dbraw/zinc/15/25/87/844152587.db2.gz KKIUUIIFWPTGLZ-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339879 844152595 /nfs/dbraw/zinc/15/25/95/844152595.db2.gz KKIUUIIFWPTGLZ-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339879 844152604 /nfs/dbraw/zinc/15/26/04/844152604.db2.gz KKIUUIIFWPTGLZ-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339879 844152609 /nfs/dbraw/zinc/15/26/09/844152609.db2.gz KKIUUIIFWPTGLZ-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351326 844154309 /nfs/dbraw/zinc/15/43/09/844154309.db2.gz DFASOBKXQXWSIS-MDZRGWNJSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101352854 844156231 /nfs/dbraw/zinc/15/62/31/844156231.db2.gz MMYBUFSUGCAWRX-GMBSWORKSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352628 844156631 /nfs/dbraw/zinc/15/66/31/844156631.db2.gz IDSQJFWUSPNQKK-FCEWJHQRSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354144 844156788 /nfs/dbraw/zinc/15/67/88/844156788.db2.gz SNNHVPBCGNIFSP-SUMDDJOVSA-N 2 1 352.523 0.878 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101362847 844160793 /nfs/dbraw/zinc/16/07/93/844160793.db2.gz HGYLYBXBYLWSFM-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101362847 844160801 /nfs/dbraw/zinc/16/08/01/844160801.db2.gz HGYLYBXBYLWSFM-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101362847 844160808 /nfs/dbraw/zinc/16/08/08/844160808.db2.gz HGYLYBXBYLWSFM-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418279 844180375 /nfs/dbraw/zinc/18/03/75/844180375.db2.gz JUHREZUCAUMQIZ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418279 844180381 /nfs/dbraw/zinc/18/03/81/844180381.db2.gz JUHREZUCAUMQIZ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418279 844180389 /nfs/dbraw/zinc/18/03/89/844180389.db2.gz JUHREZUCAUMQIZ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418279 844180395 /nfs/dbraw/zinc/18/03/95/844180395.db2.gz JUHREZUCAUMQIZ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)on1 ZINC001101431519 844184272 /nfs/dbraw/zinc/18/42/72/844184272.db2.gz RKXFJGALXDCPOW-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101432328 844184701 /nfs/dbraw/zinc/18/47/01/844184701.db2.gz MIGFQCQSBNSISP-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101432328 844184706 /nfs/dbraw/zinc/18/47/06/844184706.db2.gz MIGFQCQSBNSISP-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101432328 844184712 /nfs/dbraw/zinc/18/47/12/844184712.db2.gz MIGFQCQSBNSISP-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@]12CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101446663 844188126 /nfs/dbraw/zinc/18/81/26/844188126.db2.gz BWSHVPGTFVJIIF-NEWSRXKRSA-N 2 1 351.491 0.262 20 0 FCADMP C[C@]12CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]1C[NH+](CCOCCO)C2 ZINC001101446663 844188131 /nfs/dbraw/zinc/18/81/31/844188131.db2.gz BWSHVPGTFVJIIF-NEWSRXKRSA-N 2 1 351.491 0.262 20 0 FCADMP C[C@]12CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]1C[NH+](CCOCCO)C2 ZINC001101446663 844188136 /nfs/dbraw/zinc/18/81/36/844188136.db2.gz BWSHVPGTFVJIIF-NEWSRXKRSA-N 2 1 351.491 0.262 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061741513 836713234 /nfs/dbraw/zinc/71/32/34/836713234.db2.gz SSUZNNWOGDQYRF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061741513 836713238 /nfs/dbraw/zinc/71/32/38/836713238.db2.gz SSUZNNWOGDQYRF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061741513 836713242 /nfs/dbraw/zinc/71/32/42/836713242.db2.gz SSUZNNWOGDQYRF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469457 844197831 /nfs/dbraw/zinc/19/78/31/844197831.db2.gz RRZKYPKADUUEMT-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469457 844197836 /nfs/dbraw/zinc/19/78/36/844197836.db2.gz RRZKYPKADUUEMT-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469457 844197843 /nfs/dbraw/zinc/19/78/43/844197843.db2.gz RRZKYPKADUUEMT-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCCCOC)C[C@@]3(C)C2)C1 ZINC001101469457 844197850 /nfs/dbraw/zinc/19/78/50/844197850.db2.gz RRZKYPKADUUEMT-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001063227591 836758532 /nfs/dbraw/zinc/75/85/32/836758532.db2.gz WMACAGJGAPAVLN-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001063227591 836758537 /nfs/dbraw/zinc/75/85/37/836758537.db2.gz WMACAGJGAPAVLN-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001063227591 836758545 /nfs/dbraw/zinc/75/85/45/836758545.db2.gz WMACAGJGAPAVLN-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474175 844198694 /nfs/dbraw/zinc/19/86/94/844198694.db2.gz KQZGCUIYYAUATI-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477089 844202229 /nfs/dbraw/zinc/20/22/29/844202229.db2.gz BZSPCPGYJWUKFW-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477089 844202241 /nfs/dbraw/zinc/20/22/41/844202241.db2.gz BZSPCPGYJWUKFW-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477089 844202252 /nfs/dbraw/zinc/20/22/52/844202252.db2.gz BZSPCPGYJWUKFW-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065574077 836843848 /nfs/dbraw/zinc/84/38/48/836843848.db2.gz ABNWIJKKJJLRCP-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001075940486 837930750 /nfs/dbraw/zinc/93/07/50/837930750.db2.gz RWNZJGUJAZLLEN-GVDBMIGSSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001075940486 837930755 /nfs/dbraw/zinc/93/07/55/837930755.db2.gz RWNZJGUJAZLLEN-GVDBMIGSSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001076253793 837975705 /nfs/dbraw/zinc/97/57/05/837975705.db2.gz RWNZJGUJAZLLEN-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001076253793 837975709 /nfs/dbraw/zinc/97/57/09/837975709.db2.gz RWNZJGUJAZLLEN-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844178 844292935 /nfs/dbraw/zinc/29/29/35/844292935.db2.gz OIONLQSTCYZLOI-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844178 844292944 /nfs/dbraw/zinc/29/29/44/844292944.db2.gz OIONLQSTCYZLOI-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101844178 844292954 /nfs/dbraw/zinc/29/29/54/844292954.db2.gz OIONLQSTCYZLOI-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101844178 844292962 /nfs/dbraw/zinc/29/29/62/844292962.db2.gz OIONLQSTCYZLOI-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982855 844359918 /nfs/dbraw/zinc/35/99/18/844359918.db2.gz NVYYOHZEXIMFCX-QBPKDAKJSA-N 2 1 352.523 0.783 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982855 844359929 /nfs/dbraw/zinc/35/99/29/844359929.db2.gz NVYYOHZEXIMFCX-QBPKDAKJSA-N 2 1 352.523 0.783 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982855 844359938 /nfs/dbraw/zinc/35/99/38/844359938.db2.gz NVYYOHZEXIMFCX-QBPKDAKJSA-N 2 1 352.523 0.783 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975814 844356336 /nfs/dbraw/zinc/35/63/36/844356336.db2.gz CPLRRBYTBXDAOI-DJIMGWMZSA-N 2 1 350.507 0.537 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001077091002 838725251 /nfs/dbraw/zinc/72/52/51/838725251.db2.gz IRSFNEDRUVAGST-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077091002 838725254 /nfs/dbraw/zinc/72/52/54/838725254.db2.gz IRSFNEDRUVAGST-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001077091002 838725259 /nfs/dbraw/zinc/72/52/59/838725259.db2.gz IRSFNEDRUVAGST-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127795 838751390 /nfs/dbraw/zinc/75/13/90/838751390.db2.gz IZEJBCOLMGAXEC-DJIMGWMZSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127795 838751394 /nfs/dbraw/zinc/75/13/94/838751394.db2.gz IZEJBCOLMGAXEC-DJIMGWMZSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127795 838751397 /nfs/dbraw/zinc/75/13/97/838751397.db2.gz IZEJBCOLMGAXEC-DJIMGWMZSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077127795 838751400 /nfs/dbraw/zinc/75/14/00/838751400.db2.gz IZEJBCOLMGAXEC-DJIMGWMZSA-N 2 1 366.531 0.825 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C[NH+](C)C1CCC1 ZINC001077147704 838769929 /nfs/dbraw/zinc/76/99/29/838769929.db2.gz CIICYYYIQVHDMC-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C[NH+](C)C1CCC1 ZINC001077147704 838769936 /nfs/dbraw/zinc/76/99/36/838769936.db2.gz CIICYYYIQVHDMC-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)C[N@H+](C)C1CCC1 ZINC001077147704 838769942 /nfs/dbraw/zinc/76/99/42/838769942.db2.gz CIICYYYIQVHDMC-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001077147704 838769945 /nfs/dbraw/zinc/76/99/45/838769945.db2.gz CIICYYYIQVHDMC-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219272 838822417 /nfs/dbraw/zinc/82/24/17/838822417.db2.gz NQJCAQXJDWTGRK-IAGOWNOFSA-N 2 1 351.491 0.593 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102015624 844374044 /nfs/dbraw/zinc/37/40/44/844374044.db2.gz MIWMWGFWQLQGRC-KFWWJZLASA-N 2 1 365.515 0.395 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102015624 844374052 /nfs/dbraw/zinc/37/40/52/844374052.db2.gz MIWMWGFWQLQGRC-KFWWJZLASA-N 2 1 365.515 0.395 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077280902 838871999 /nfs/dbraw/zinc/87/19/99/838871999.db2.gz PHCHTEPWDKYVSL-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077280902 838872003 /nfs/dbraw/zinc/87/20/03/838872003.db2.gz PHCHTEPWDKYVSL-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077280902 838872009 /nfs/dbraw/zinc/87/20/09/838872009.db2.gz PHCHTEPWDKYVSL-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001077507355 839003511 /nfs/dbraw/zinc/00/35/11/839003511.db2.gz FXLWNYRPZKUWTJ-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077582721 839053501 /nfs/dbraw/zinc/05/35/01/839053501.db2.gz QLWYZNLVHWZVQQ-FVQBIDKESA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077582721 839053506 /nfs/dbraw/zinc/05/35/06/839053506.db2.gz QLWYZNLVHWZVQQ-FVQBIDKESA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077582524 839053968 /nfs/dbraw/zinc/05/39/68/839053968.db2.gz KCURWUXKMRJNFT-ARFHVFGLSA-N 2 1 351.447 0.685 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077582524 839053973 /nfs/dbraw/zinc/05/39/73/839053973.db2.gz KCURWUXKMRJNFT-ARFHVFGLSA-N 2 1 351.447 0.685 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001077618917 839072239 /nfs/dbraw/zinc/07/22/39/839072239.db2.gz VPHSGAKYNPJLPJ-HZPDHXFCSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001077618917 839072245 /nfs/dbraw/zinc/07/22/45/839072245.db2.gz VPHSGAKYNPJLPJ-HZPDHXFCSA-N 2 1 352.504 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048429 844396459 /nfs/dbraw/zinc/39/64/59/844396459.db2.gz AYMSRHUUQONAJA-BMFZPTHFSA-N 2 1 359.536 0.445 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051807 844397121 /nfs/dbraw/zinc/39/71/21/844397121.db2.gz NXGAMXRGIIULLI-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051807 844397127 /nfs/dbraw/zinc/39/71/27/844397127.db2.gz NXGAMXRGIIULLI-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051807 844397131 /nfs/dbraw/zinc/39/71/31/844397131.db2.gz NXGAMXRGIIULLI-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077765180 839142652 /nfs/dbraw/zinc/14/26/52/839142652.db2.gz ANJCLZMKSRAYQH-ARFHVFGLSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077765180 839142657 /nfs/dbraw/zinc/14/26/57/839142657.db2.gz ANJCLZMKSRAYQH-ARFHVFGLSA-N 2 1 350.463 0.594 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077779217 839153492 /nfs/dbraw/zinc/15/34/92/839153492.db2.gz GTGWGEZTTRVDQC-GVDBMIGSSA-N 2 1 353.507 0.695 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081299 844407784 /nfs/dbraw/zinc/40/77/84/844407784.db2.gz UKLPCFSVYXVMKP-QBPKDAKJSA-N 2 1 357.495 0.053 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081299 844407786 /nfs/dbraw/zinc/40/77/86/844407786.db2.gz UKLPCFSVYXVMKP-QBPKDAKJSA-N 2 1 357.495 0.053 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081299 844407787 /nfs/dbraw/zinc/40/77/87/844407787.db2.gz UKLPCFSVYXVMKP-QBPKDAKJSA-N 2 1 357.495 0.053 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081299 844407789 /nfs/dbraw/zinc/40/77/89/844407789.db2.gz UKLPCFSVYXVMKP-QBPKDAKJSA-N 2 1 357.495 0.053 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1)OC ZINC001077979022 839266199 /nfs/dbraw/zinc/26/61/99/839266199.db2.gz XAOWWLXYVPEJNI-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP COCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171417 844434241 /nfs/dbraw/zinc/43/42/41/844434241.db2.gz WXTLQVYOYARWPI-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP COCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171417 844434244 /nfs/dbraw/zinc/43/42/44/844434244.db2.gz WXTLQVYOYARWPI-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP COCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171417 844434246 /nfs/dbraw/zinc/43/42/46/844434246.db2.gz WXTLQVYOYARWPI-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185708 844436558 /nfs/dbraw/zinc/43/65/58/844436558.db2.gz PRIMJWNMLOOJPF-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185708 844436562 /nfs/dbraw/zinc/43/65/62/844436562.db2.gz PRIMJWNMLOOJPF-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102188541 844438670 /nfs/dbraw/zinc/43/86/70/844438670.db2.gz AGVNQLDQOCDMTQ-KBAYOESNSA-N 2 1 353.507 0.554 20 0 FCADMP CC(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001079162171 839490484 /nfs/dbraw/zinc/49/04/84/839490484.db2.gz YCKZBCQKVHZJIT-NVXWUHKLSA-N 2 1 354.495 0.156 20 0 FCADMP CC(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001079162171 839490491 /nfs/dbraw/zinc/49/04/91/839490491.db2.gz YCKZBCQKVHZJIT-NVXWUHKLSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215289 844446812 /nfs/dbraw/zinc/44/68/12/844446812.db2.gz ORDJZCWYFJWHEC-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949064 839628491 /nfs/dbraw/zinc/62/84/91/839628491.db2.gz NGHXRBIBCXKRJC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288728 844458827 /nfs/dbraw/zinc/45/88/27/844458827.db2.gz RVHHTJLTLSJDPQ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102290709 844459390 /nfs/dbraw/zinc/45/93/90/844459390.db2.gz RSJXZRYIYZXKOT-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294065 844459644 /nfs/dbraw/zinc/45/96/44/844459644.db2.gz GKFHQOFWFHXLMI-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102292712 844459707 /nfs/dbraw/zinc/45/97/07/844459707.db2.gz ZJTBPAMNBZDWJX-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255073 839692256 /nfs/dbraw/zinc/69/22/56/839692256.db2.gz OAEDENCFJYZKCZ-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255073 839692264 /nfs/dbraw/zinc/69/22/64/839692264.db2.gz OAEDENCFJYZKCZ-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080383514 839715518 /nfs/dbraw/zinc/71/55/18/839715518.db2.gz IJGQRVXTFQRJLL-CZUORRHYSA-N 2 1 366.531 0.997 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446564 839726437 /nfs/dbraw/zinc/72/64/37/839726437.db2.gz OXTGURNEDFLRQV-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446564 839726442 /nfs/dbraw/zinc/72/64/42/839726442.db2.gz OXTGURNEDFLRQV-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446564 839726451 /nfs/dbraw/zinc/72/64/51/839726451.db2.gz OXTGURNEDFLRQV-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446564 839726457 /nfs/dbraw/zinc/72/64/57/839726457.db2.gz OXTGURNEDFLRQV-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320575 844466301 /nfs/dbraw/zinc/46/63/01/844466301.db2.gz IWXWXDSIJVIOMK-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102368231 844476131 /nfs/dbraw/zinc/47/61/31/844476131.db2.gz LYRGCYZNDZHPFM-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102368231 844476137 /nfs/dbraw/zinc/47/61/37/844476137.db2.gz LYRGCYZNDZHPFM-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102368231 844476144 /nfs/dbraw/zinc/47/61/44/844476144.db2.gz LYRGCYZNDZHPFM-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935409 839837469 /nfs/dbraw/zinc/83/74/69/839837469.db2.gz UAGLTGBGEYMMOW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935409 839837471 /nfs/dbraw/zinc/83/74/71/839837471.db2.gz UAGLTGBGEYMMOW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935409 839837477 /nfs/dbraw/zinc/83/74/77/839837477.db2.gz UAGLTGBGEYMMOW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935409 839837486 /nfs/dbraw/zinc/83/74/86/839837486.db2.gz UAGLTGBGEYMMOW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370370 844478208 /nfs/dbraw/zinc/47/82/08/844478208.db2.gz YJUOXRDJEHMGBX-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370370 844478212 /nfs/dbraw/zinc/47/82/12/844478212.db2.gz YJUOXRDJEHMGBX-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370370 844478218 /nfs/dbraw/zinc/47/82/18/844478218.db2.gz YJUOXRDJEHMGBX-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C)[NH+](C)C ZINC001102377756 844480731 /nfs/dbraw/zinc/48/07/31/844480731.db2.gz FWMNTRWKKNEHBW-XYPHTWIQSA-N 2 1 350.511 0.919 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419805 844491321 /nfs/dbraw/zinc/49/13/21/844491321.db2.gz VKXCEXYHKQXISN-OAGGEKHMSA-N 2 1 352.479 0.698 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419805 844491324 /nfs/dbraw/zinc/49/13/24/844491324.db2.gz VKXCEXYHKQXISN-OAGGEKHMSA-N 2 1 352.479 0.698 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430324 844496860 /nfs/dbraw/zinc/49/68/60/844496860.db2.gz MQZYCJHAAIOJRY-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433982 844496928 /nfs/dbraw/zinc/49/69/28/844496928.db2.gz JMPYDZAWCBJTTQ-HLLBOEOZSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893524 840090200 /nfs/dbraw/zinc/09/02/00/840090200.db2.gz VDFILABFARAYRH-GVDBMIGSSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468601 844509427 /nfs/dbraw/zinc/50/94/27/844509427.db2.gz QDORJXQDLMAKEP-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468601 844509439 /nfs/dbraw/zinc/50/94/39/844509439.db2.gz QDORJXQDLMAKEP-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102473693 844516365 /nfs/dbraw/zinc/51/63/65/844516365.db2.gz LBLOOEFOBPIBTB-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082222162 840247198 /nfs/dbraw/zinc/24/71/98/840247198.db2.gz JQDITAHSAGZYKG-FVQBIDKESA-N 2 1 355.458 0.622 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328807 840313782 /nfs/dbraw/zinc/31/37/82/840313782.db2.gz MMIXNBLDHWQLBD-GVDBMIGSSA-N 2 1 351.491 0.714 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102495629 844529047 /nfs/dbraw/zinc/52/90/47/844529047.db2.gz FGVVYGUWNRIVLT-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102495629 844529052 /nfs/dbraw/zinc/52/90/52/844529052.db2.gz FGVVYGUWNRIVLT-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102495629 844529060 /nfs/dbraw/zinc/52/90/60/844529060.db2.gz FGVVYGUWNRIVLT-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102495629 844529065 /nfs/dbraw/zinc/52/90/65/844529065.db2.gz FGVVYGUWNRIVLT-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377332 840365888 /nfs/dbraw/zinc/36/58/88/840365888.db2.gz MJIUEGXKBRWDRK-ZACQAIPSSA-N 2 1 367.515 0.827 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377332 840365902 /nfs/dbraw/zinc/36/59/02/840365902.db2.gz MJIUEGXKBRWDRK-ZACQAIPSSA-N 2 1 367.515 0.827 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377332 840365916 /nfs/dbraw/zinc/36/59/16/840365916.db2.gz MJIUEGXKBRWDRK-ZACQAIPSSA-N 2 1 367.515 0.827 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377332 840365930 /nfs/dbraw/zinc/36/59/30/840365930.db2.gz MJIUEGXKBRWDRK-ZACQAIPSSA-N 2 1 367.515 0.827 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccns1 ZINC001082558084 840464730 /nfs/dbraw/zinc/46/47/30/840464730.db2.gz YQXYTQDHVBWBRW-FVQBIDKESA-N 2 1 362.503 0.907 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082561859 840466669 /nfs/dbraw/zinc/46/66/69/840466669.db2.gz WRSGBNWUQQAEEE-UKRRQHHQSA-N 2 1 350.463 0.056 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082575412 840472443 /nfs/dbraw/zinc/47/24/43/840472443.db2.gz DGSPBXXKUPYYKR-FMKPAKJESA-N 2 1 351.499 0.606 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514027 844545629 /nfs/dbraw/zinc/54/56/29/844545629.db2.gz JTNXLQMIELVIDF-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514027 844545637 /nfs/dbraw/zinc/54/56/37/844545637.db2.gz JTNXLQMIELVIDF-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514027 844545641 /nfs/dbraw/zinc/54/56/41/844545641.db2.gz JTNXLQMIELVIDF-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001082646524 840510098 /nfs/dbraw/zinc/51/00/98/840510098.db2.gz CTROOKUISGSZSB-BPLDGKMQSA-N 2 1 354.476 0.063 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525239 844553915 /nfs/dbraw/zinc/55/39/15/844553915.db2.gz SAWPLCDYIGRAND-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525239 844553917 /nfs/dbraw/zinc/55/39/17/844553917.db2.gz SAWPLCDYIGRAND-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102525239 844553919 /nfs/dbraw/zinc/55/39/19/844553919.db2.gz SAWPLCDYIGRAND-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525324 844553923 /nfs/dbraw/zinc/55/39/23/844553923.db2.gz WRNAYYZXGHCCSB-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525324 844553924 /nfs/dbraw/zinc/55/39/24/844553924.db2.gz WRNAYYZXGHCCSB-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525324 844553925 /nfs/dbraw/zinc/55/39/25/844553925.db2.gz WRNAYYZXGHCCSB-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21)C1CCC1 ZINC001083106739 840715578 /nfs/dbraw/zinc/71/55/78/840715578.db2.gz STIQAQXYMMTEMA-ZWKOTPCHSA-N 2 1 351.491 0.951 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21)C1CCC1 ZINC001083106739 840715582 /nfs/dbraw/zinc/71/55/82/840715582.db2.gz STIQAQXYMMTEMA-ZWKOTPCHSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21)C1CCC1 ZINC001083106739 840715588 /nfs/dbraw/zinc/71/55/88/840715588.db2.gz STIQAQXYMMTEMA-ZWKOTPCHSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21)C1CCC1 ZINC001083106739 840715591 /nfs/dbraw/zinc/71/55/91/840715591.db2.gz STIQAQXYMMTEMA-ZWKOTPCHSA-N 2 1 351.491 0.951 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105931 840716253 /nfs/dbraw/zinc/71/62/53/840716253.db2.gz ASRIPUBPAAAWBY-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105931 840716261 /nfs/dbraw/zinc/71/62/61/840716261.db2.gz ASRIPUBPAAAWBY-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105931 840716269 /nfs/dbraw/zinc/71/62/69/840716269.db2.gz ASRIPUBPAAAWBY-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCC4)C[C@@H]32)O1 ZINC001083119541 840727623 /nfs/dbraw/zinc/72/76/23/840727623.db2.gz YUNKCIYFTPGHJH-BZZMCLGOSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCC4)C[C@@H]32)O1 ZINC001083119541 840727638 /nfs/dbraw/zinc/72/76/38/840727638.db2.gz YUNKCIYFTPGHJH-BZZMCLGOSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]32)O1 ZINC001083119541 840727645 /nfs/dbraw/zinc/72/76/45/840727645.db2.gz YUNKCIYFTPGHJH-BZZMCLGOSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]32)O1 ZINC001083119541 840727654 /nfs/dbraw/zinc/72/76/54/840727654.db2.gz YUNKCIYFTPGHJH-BZZMCLGOSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102577856 844571252 /nfs/dbraw/zinc/57/12/52/844571252.db2.gz ABNWIAITXFPHJE-BZUAXINKSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102577856 844571268 /nfs/dbraw/zinc/57/12/68/844571268.db2.gz ABNWIAITXFPHJE-BZUAXINKSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102577856 844571273 /nfs/dbraw/zinc/57/12/73/844571273.db2.gz ABNWIAITXFPHJE-BZUAXINKSA-N 2 1 371.547 0.447 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CC4)C[C@@H]32)C1 ZINC001083174630 840773339 /nfs/dbraw/zinc/77/33/39/840773339.db2.gz QXKHHABQMRHTRQ-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CC4)C[C@@H]32)C1 ZINC001083174630 840773344 /nfs/dbraw/zinc/77/33/44/840773344.db2.gz QXKHHABQMRHTRQ-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CC4)C[C@@H]32)C1 ZINC001083174630 840773348 /nfs/dbraw/zinc/77/33/48/840773348.db2.gz QXKHHABQMRHTRQ-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]32)C1 ZINC001083174630 840773351 /nfs/dbraw/zinc/77/33/51/840773351.db2.gz QXKHHABQMRHTRQ-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579250 844572773 /nfs/dbraw/zinc/57/27/73/844572773.db2.gz PEZRSQDQFLLJBU-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102578933 844573669 /nfs/dbraw/zinc/57/36/69/844573669.db2.gz AABDAPZUTIUAJE-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193919 840787989 /nfs/dbraw/zinc/78/79/89/840787989.db2.gz NFVZRRHEXRGVNQ-HDMKZQKVSA-N 2 1 357.470 0.757 20 0 FCADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193919 840787998 /nfs/dbraw/zinc/78/79/98/840787998.db2.gz NFVZRRHEXRGVNQ-HDMKZQKVSA-N 2 1 357.470 0.757 20 0 FCADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193919 840788002 /nfs/dbraw/zinc/78/80/02/840788002.db2.gz NFVZRRHEXRGVNQ-HDMKZQKVSA-N 2 1 357.470 0.757 20 0 FCADMP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193919 840788009 /nfs/dbraw/zinc/78/80/09/840788009.db2.gz NFVZRRHEXRGVNQ-HDMKZQKVSA-N 2 1 357.470 0.757 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083194025 840788278 /nfs/dbraw/zinc/78/82/78/840788278.db2.gz RUHJAJVMPBWECY-DAYGRLMNSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083194025 840788282 /nfs/dbraw/zinc/78/82/82/840788282.db2.gz RUHJAJVMPBWECY-DAYGRLMNSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083194025 840788288 /nfs/dbraw/zinc/78/82/88/840788288.db2.gz RUHJAJVMPBWECY-DAYGRLMNSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083194025 840788294 /nfs/dbraw/zinc/78/82/94/840788294.db2.gz RUHJAJVMPBWECY-DAYGRLMNSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083194026 840788853 /nfs/dbraw/zinc/78/88/53/840788853.db2.gz RUHJAJVMPBWECY-HDMKZQKVSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083194026 840788863 /nfs/dbraw/zinc/78/88/63/840788863.db2.gz RUHJAJVMPBWECY-HDMKZQKVSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083194026 840788874 /nfs/dbraw/zinc/78/88/74/840788874.db2.gz RUHJAJVMPBWECY-HDMKZQKVSA-N 2 1 357.470 0.493 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083194026 840788881 /nfs/dbraw/zinc/78/88/81/840788881.db2.gz RUHJAJVMPBWECY-HDMKZQKVSA-N 2 1 357.470 0.493 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596309 844587666 /nfs/dbraw/zinc/58/76/66/844587666.db2.gz YQIRNEJURZWKLP-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600616 844591994 /nfs/dbraw/zinc/59/19/94/844591994.db2.gz MYGPDVCOWXFYGP-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600616 844592000 /nfs/dbraw/zinc/59/20/00/844592000.db2.gz MYGPDVCOWXFYGP-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600616 844592007 /nfs/dbraw/zinc/59/20/07/844592007.db2.gz MYGPDVCOWXFYGP-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083463067 841032639 /nfs/dbraw/zinc/03/26/39/841032639.db2.gz OLQFAXGKALUCEH-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465919 841037791 /nfs/dbraw/zinc/03/77/91/841037791.db2.gz YIYQRHYETAEBFR-BBWFWOEESA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465919 841037806 /nfs/dbraw/zinc/03/78/06/841037806.db2.gz YIYQRHYETAEBFR-BBWFWOEESA-N 2 1 364.515 0.763 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2O)n1 ZINC001083470452 841042686 /nfs/dbraw/zinc/04/26/86/841042686.db2.gz SURASMBZSHQBON-CVEARBPZSA-N 2 1 351.495 0.656 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083472700 841045938 /nfs/dbraw/zinc/04/59/38/841045938.db2.gz LYXJIWKWDGQGAC-MPESAESLSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083472700 841045949 /nfs/dbraw/zinc/04/59/49/841045949.db2.gz LYXJIWKWDGQGAC-MPESAESLSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083472700 841045961 /nfs/dbraw/zinc/04/59/61/841045961.db2.gz LYXJIWKWDGQGAC-MPESAESLSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083472700 841045965 /nfs/dbraw/zinc/04/59/65/841045965.db2.gz LYXJIWKWDGQGAC-MPESAESLSA-N 2 1 352.504 0.496 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723642 841360100 /nfs/dbraw/zinc/36/01/00/841360100.db2.gz SXKFQILJXIDHTJ-IKGGRYGDSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723642 841360105 /nfs/dbraw/zinc/36/01/05/841360105.db2.gz SXKFQILJXIDHTJ-IKGGRYGDSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723642 841360112 /nfs/dbraw/zinc/36/01/12/841360112.db2.gz SXKFQILJXIDHTJ-IKGGRYGDSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723642 841360121 /nfs/dbraw/zinc/36/01/21/841360121.db2.gz SXKFQILJXIDHTJ-IKGGRYGDSA-N 2 1 353.507 0.693 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1COC(C)(C)O1)C2 ZINC001275812756 861203882 /nfs/dbraw/zinc/20/38/82/861203882.db2.gz HZDODYZSGCYHMC-MAUKXSAKSA-N 2 1 355.479 0.250 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083832923 841477554 /nfs/dbraw/zinc/47/75/54/841477554.db2.gz AOMIUOHHPSAAEZ-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953100 841598501 /nfs/dbraw/zinc/59/85/01/841598501.db2.gz HFXZYDOYIADCBS-BMFZPTHFSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953100 841598510 /nfs/dbraw/zinc/59/85/10/841598510.db2.gz HFXZYDOYIADCBS-BMFZPTHFSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953100 841598519 /nfs/dbraw/zinc/59/85/19/841598519.db2.gz HFXZYDOYIADCBS-BMFZPTHFSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953100 841598524 /nfs/dbraw/zinc/59/85/24/841598524.db2.gz HFXZYDOYIADCBS-BMFZPTHFSA-N 2 1 352.504 0.763 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275845541 861225532 /nfs/dbraw/zinc/22/55/32/861225532.db2.gz YGCJUEYRPUNROC-LJQANCHMSA-N 2 1 351.539 0.110 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN([C@@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877805 861239838 /nfs/dbraw/zinc/23/98/38/861239838.db2.gz GEMDJTVFZLFJKE-HNAYVOBHSA-N 2 1 351.491 0.999 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275879336 861243012 /nfs/dbraw/zinc/24/30/12/861243012.db2.gz NHHSTAZBDFBCSL-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881215 861245404 /nfs/dbraw/zinc/24/54/04/861245404.db2.gz XXNYCCQZYDWENQ-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881215 861245417 /nfs/dbraw/zinc/24/54/17/861245417.db2.gz XXNYCCQZYDWENQ-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275881215 861245428 /nfs/dbraw/zinc/24/54/28/861245428.db2.gz XXNYCCQZYDWENQ-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275881215 861245441 /nfs/dbraw/zinc/24/54/41/861245441.db2.gz XXNYCCQZYDWENQ-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880070 861247379 /nfs/dbraw/zinc/24/73/79/861247379.db2.gz SUVNFLLLXIYWAC-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880070 861247392 /nfs/dbraw/zinc/24/73/92/861247392.db2.gz SUVNFLLLXIYWAC-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001275880070 861247409 /nfs/dbraw/zinc/24/74/09/861247409.db2.gz SUVNFLLLXIYWAC-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880070 861247420 /nfs/dbraw/zinc/24/74/20/861247420.db2.gz SUVNFLLLXIYWAC-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001084722220 841900106 /nfs/dbraw/zinc/90/01/06/841900106.db2.gz DZNZXCCWFFVDHZ-KZNAEPCWSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001084722220 841900115 /nfs/dbraw/zinc/90/01/15/841900115.db2.gz DZNZXCCWFFVDHZ-KZNAEPCWSA-N 2 1 351.491 0.811 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)CC[N@@H+]1C ZINC001085017769 841990868 /nfs/dbraw/zinc/99/08/68/841990868.db2.gz XYFLMMOJYJDCOL-YVSFHVDLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)CC[N@H+]1C ZINC001085017769 841990876 /nfs/dbraw/zinc/99/08/76/841990876.db2.gz XYFLMMOJYJDCOL-YVSFHVDLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001085017769 841990885 /nfs/dbraw/zinc/99/08/85/841990885.db2.gz XYFLMMOJYJDCOL-YVSFHVDLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001085017769 841990891 /nfs/dbraw/zinc/99/08/91/841990891.db2.gz XYFLMMOJYJDCOL-YVSFHVDLSA-N 2 1 371.547 0.684 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100526 842018433 /nfs/dbraw/zinc/01/84/33/842018433.db2.gz KEBURBWMPAOFFI-SJORKVTESA-N 2 1 371.547 0.830 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100526 842018446 /nfs/dbraw/zinc/01/84/46/842018446.db2.gz KEBURBWMPAOFFI-SJORKVTESA-N 2 1 371.547 0.830 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCCC1 ZINC001085101197 842018687 /nfs/dbraw/zinc/01/86/87/842018687.db2.gz CKWNEZKMLFEXAY-SOLBZPMBSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCCC1 ZINC001085101197 842018697 /nfs/dbraw/zinc/01/86/97/842018697.db2.gz CKWNEZKMLFEXAY-SOLBZPMBSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085332390 842079533 /nfs/dbraw/zinc/07/95/33/842079533.db2.gz VZRBTROYSWKTRM-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085422520 842099384 /nfs/dbraw/zinc/09/93/84/842099384.db2.gz WGUXCTUDKDSXLH-RBSFLKMASA-N 2 1 352.458 0.716 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085422520 842099395 /nfs/dbraw/zinc/09/93/95/842099395.db2.gz WGUXCTUDKDSXLH-RBSFLKMASA-N 2 1 352.458 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001086090881 842119628 /nfs/dbraw/zinc/11/96/28/842119628.db2.gz VXCPZICLUMGJNM-OVYGPGRDSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001086371448 842128750 /nfs/dbraw/zinc/12/87/50/842128750.db2.gz ISYNXBSIHQYWFU-MWQQHZPXSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cncc(F)c3)C2)O1 ZINC001086400589 842131313 /nfs/dbraw/zinc/13/13/13/842131313.db2.gz NVKKRRQZDCTPJC-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cncc(F)c3)C2)O1 ZINC001086400589 842131316 /nfs/dbraw/zinc/13/13/16/842131316.db2.gz NVKKRRQZDCTPJC-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664617 842145683 /nfs/dbraw/zinc/14/56/83/842145683.db2.gz XANSZHAKFWKSNO-UXLLHSPISA-N 2 1 350.463 0.997 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664617 842145686 /nfs/dbraw/zinc/14/56/86/842145686.db2.gz XANSZHAKFWKSNO-UXLLHSPISA-N 2 1 350.463 0.997 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001086880254 842189973 /nfs/dbraw/zinc/18/99/73/842189973.db2.gz QGUFWXPGYVOKCX-RRFJBIMHSA-N 2 1 367.519 0.942 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001086880254 842189977 /nfs/dbraw/zinc/18/99/77/842189977.db2.gz QGUFWXPGYVOKCX-RRFJBIMHSA-N 2 1 367.519 0.942 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087100776 842289963 /nfs/dbraw/zinc/28/99/63/842289963.db2.gz CYWHNOPEYUKCKU-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087100776 842289972 /nfs/dbraw/zinc/28/99/72/842289972.db2.gz CYWHNOPEYUKCKU-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087699679 842409028 /nfs/dbraw/zinc/40/90/28/842409028.db2.gz GOTUWPURLPEYFI-NXNVCVFFSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087699679 842409033 /nfs/dbraw/zinc/40/90/33/842409033.db2.gz GOTUWPURLPEYFI-NXNVCVFFSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)NC1CC1 ZINC001087699679 842409038 /nfs/dbraw/zinc/40/90/38/842409038.db2.gz GOTUWPURLPEYFI-NXNVCVFFSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)NC1CC1 ZINC001087699679 842409043 /nfs/dbraw/zinc/40/90/43/842409043.db2.gz GOTUWPURLPEYFI-NXNVCVFFSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001087726512 842416212 /nfs/dbraw/zinc/41/62/12/842416212.db2.gz IUWKNALJLGFCKZ-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087726512 842416216 /nfs/dbraw/zinc/41/62/16/842416216.db2.gz IUWKNALJLGFCKZ-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087726512 842416220 /nfs/dbraw/zinc/41/62/20/842416220.db2.gz IUWKNALJLGFCKZ-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001087994107 842494082 /nfs/dbraw/zinc/49/40/82/842494082.db2.gz RFORMOMNUCOVHS-IXDOHACOSA-N 2 1 351.470 0.953 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001087994107 842494091 /nfs/dbraw/zinc/49/40/91/842494091.db2.gz RFORMOMNUCOVHS-IXDOHACOSA-N 2 1 351.470 0.953 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001088317829 842568668 /nfs/dbraw/zinc/56/86/68/842568668.db2.gz PLIQJZYBPPHKJY-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001088835854 842690667 /nfs/dbraw/zinc/69/06/67/842690667.db2.gz RLANVVDHIKQLRW-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001088835854 842690673 /nfs/dbraw/zinc/69/06/73/842690673.db2.gz RLANVVDHIKQLRW-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088981010 842733865 /nfs/dbraw/zinc/73/38/65/842733865.db2.gz YXMPKRPZVDRTIH-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088981010 842733873 /nfs/dbraw/zinc/73/38/73/842733873.db2.gz YXMPKRPZVDRTIH-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088981010 842733878 /nfs/dbraw/zinc/73/38/78/842733878.db2.gz YXMPKRPZVDRTIH-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088981010 842733882 /nfs/dbraw/zinc/73/38/82/842733882.db2.gz YXMPKRPZVDRTIH-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP COc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001091097902 842961596 /nfs/dbraw/zinc/96/15/96/842961596.db2.gz YQLOGVBMXIWEJI-XZNOPERXSA-N 2 1 352.435 0.387 20 0 FCADMP COc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001091097902 842961603 /nfs/dbraw/zinc/96/16/03/842961603.db2.gz YQLOGVBMXIWEJI-XZNOPERXSA-N 2 1 352.435 0.387 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667438 843065517 /nfs/dbraw/zinc/06/55/17/843065517.db2.gz UAWXJIIQUPICKZ-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667438 843065527 /nfs/dbraw/zinc/06/55/27/843065527.db2.gz UAWXJIIQUPICKZ-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091667438 843065537 /nfs/dbraw/zinc/06/55/37/843065537.db2.gz UAWXJIIQUPICKZ-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071906 843153099 /nfs/dbraw/zinc/15/30/99/843153099.db2.gz JJACOLPCVWALPB-GJYPPUQNSA-N 2 1 350.507 0.763 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130981 843164315 /nfs/dbraw/zinc/16/43/15/843164315.db2.gz LJRYJADXSINDRS-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504697 843222611 /nfs/dbraw/zinc/22/26/11/843222611.db2.gz WQZKJOIXZYMFAO-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504697 843222620 /nfs/dbraw/zinc/22/26/20/843222620.db2.gz WQZKJOIXZYMFAO-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504697 843222629 /nfs/dbraw/zinc/22/26/29/843222629.db2.gz WQZKJOIXZYMFAO-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675625 843274712 /nfs/dbraw/zinc/27/47/12/843274712.db2.gz KERFIXVQANVVSS-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675625 843274720 /nfs/dbraw/zinc/27/47/20/843274720.db2.gz KERFIXVQANVVSS-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675625 843274726 /nfs/dbraw/zinc/27/47/26/843274726.db2.gz KERFIXVQANVVSS-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001092676153 843275549 /nfs/dbraw/zinc/27/55/49/843275549.db2.gz SMQGXOKABXQKMC-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001092676153 843275557 /nfs/dbraw/zinc/27/55/57/843275557.db2.gz SMQGXOKABXQKMC-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001092676153 843275568 /nfs/dbraw/zinc/27/55/68/843275568.db2.gz SMQGXOKABXQKMC-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP COCCC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276316147 861409063 /nfs/dbraw/zinc/40/90/63/861409063.db2.gz RSFHTZNOWAKUBW-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP COCCC[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276316147 861409071 /nfs/dbraw/zinc/40/90/71/861409071.db2.gz RSFHTZNOWAKUBW-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP COCCC[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276316147 861409080 /nfs/dbraw/zinc/40/90/80/861409080.db2.gz RSFHTZNOWAKUBW-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919287 843341535 /nfs/dbraw/zinc/34/15/35/843341535.db2.gz IRSHNRTZUQDODG-VNHYZAJKSA-N 2 1 350.463 0.773 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001276309347 861405682 /nfs/dbraw/zinc/40/56/82/861405682.db2.gz WLQNBYQFRZWTKW-RCCFBDPRSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931232 843347502 /nfs/dbraw/zinc/34/75/02/843347502.db2.gz INPLAYCKQMNXKI-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937105 843348357 /nfs/dbraw/zinc/34/83/57/843348357.db2.gz OLYBJQWXPPZAQD-HLLBOEOZSA-N 2 1 371.547 0.447 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276315393 861408842 /nfs/dbraw/zinc/40/88/42/861408842.db2.gz JMOYZZAYIRYMOE-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP COCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276315393 861408849 /nfs/dbraw/zinc/40/88/49/861408849.db2.gz JMOYZZAYIRYMOE-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276315393 861408856 /nfs/dbraw/zinc/40/88/56/861408856.db2.gz JMOYZZAYIRYMOE-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208762 843407198 /nfs/dbraw/zinc/40/71/98/843407198.db2.gz FQQPDBWJQHILAB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208762 843407203 /nfs/dbraw/zinc/40/72/03/843407203.db2.gz FQQPDBWJQHILAB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208762 843407206 /nfs/dbraw/zinc/40/72/06/843407206.db2.gz FQQPDBWJQHILAB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208762 843407210 /nfs/dbraw/zinc/40/72/10/843407210.db2.gz FQQPDBWJQHILAB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001094114165 843518616 /nfs/dbraw/zinc/51/86/16/843518616.db2.gz WLYWDHWPHQYLOE-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094380655 843548478 /nfs/dbraw/zinc/54/84/78/843548478.db2.gz WEMFGERANKBLCZ-BFYDXBDKSA-N 2 1 357.520 0.486 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094380655 843548484 /nfs/dbraw/zinc/54/84/84/843548484.db2.gz WEMFGERANKBLCZ-BFYDXBDKSA-N 2 1 357.520 0.486 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001094380655 843548490 /nfs/dbraw/zinc/54/84/90/843548490.db2.gz WEMFGERANKBLCZ-BFYDXBDKSA-N 2 1 357.520 0.486 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001094380655 843548497 /nfs/dbraw/zinc/54/84/97/843548497.db2.gz WEMFGERANKBLCZ-BFYDXBDKSA-N 2 1 357.520 0.486 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094430217 843552799 /nfs/dbraw/zinc/55/27/99/843552799.db2.gz HTDHGGHEMSEHDQ-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2 ZINC001094430217 843552806 /nfs/dbraw/zinc/55/28/06/843552806.db2.gz HTDHGGHEMSEHDQ-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001094430217 843552816 /nfs/dbraw/zinc/55/28/16/843552816.db2.gz HTDHGGHEMSEHDQ-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)CC1 ZINC001094552114 843560960 /nfs/dbraw/zinc/56/09/60/843560960.db2.gz ZDQXCOFVFILACX-VQIMIIECSA-N 2 1 350.507 0.953 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001094577145 843563850 /nfs/dbraw/zinc/56/38/50/843563850.db2.gz CUKGMFODSOYRSA-ZMSDIMECSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001094577145 843563864 /nfs/dbraw/zinc/56/38/64/843563864.db2.gz CUKGMFODSOYRSA-ZMSDIMECSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)C1 ZINC001094577145 843563871 /nfs/dbraw/zinc/56/38/71/843563871.db2.gz CUKGMFODSOYRSA-ZMSDIMECSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)C1 ZINC001094577145 843563882 /nfs/dbraw/zinc/56/38/82/843563882.db2.gz CUKGMFODSOYRSA-ZMSDIMECSA-N 2 1 357.520 0.344 20 0 FCADMP CC(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094737726 843697187 /nfs/dbraw/zinc/69/71/87/843697187.db2.gz AFZFGPJSXJGLMO-BFYDXBDKSA-N 2 1 350.507 0.774 20 0 FCADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531430 843736149 /nfs/dbraw/zinc/73/61/49/843736149.db2.gz DTCMBLISESLOCF-VSZNYVQBSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001095531430 843736161 /nfs/dbraw/zinc/73/61/61/843736161.db2.gz DTCMBLISESLOCF-VSZNYVQBSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001095531430 843736171 /nfs/dbraw/zinc/73/61/71/843736171.db2.gz DTCMBLISESLOCF-VSZNYVQBSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)CC[N@H+]1C ZINC001098996546 843954252 /nfs/dbraw/zinc/95/42/52/843954252.db2.gz PIHNOSZUVIUVMZ-FPXQBCRKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001098996546 843954256 /nfs/dbraw/zinc/95/42/56/843954256.db2.gz PIHNOSZUVIUVMZ-FPXQBCRKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001098996546 843954261 /nfs/dbraw/zinc/95/42/61/843954261.db2.gz PIHNOSZUVIUVMZ-FPXQBCRKSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818845 844652807 /nfs/dbraw/zinc/65/28/07/844652807.db2.gz JXITXTLMOBVJHF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818845 844652816 /nfs/dbraw/zinc/65/28/16/844652816.db2.gz JXITXTLMOBVJHF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818845 844652822 /nfs/dbraw/zinc/65/28/22/844652822.db2.gz JXITXTLMOBVJHF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818845 844652831 /nfs/dbraw/zinc/65/28/31/844652831.db2.gz JXITXTLMOBVJHF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819620 844653271 /nfs/dbraw/zinc/65/32/71/844653271.db2.gz XQGAFHAWUYVUBY-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819620 844653276 /nfs/dbraw/zinc/65/32/76/844653276.db2.gz XQGAFHAWUYVUBY-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819620 844653279 /nfs/dbraw/zinc/65/32/79/844653279.db2.gz XQGAFHAWUYVUBY-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819620 844653283 /nfs/dbraw/zinc/65/32/83/844653283.db2.gz XQGAFHAWUYVUBY-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085178 844697361 /nfs/dbraw/zinc/69/73/61/844697361.db2.gz JPXMOKVVPJNQIS-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085178 844697368 /nfs/dbraw/zinc/69/73/68/844697368.db2.gz JPXMOKVVPJNQIS-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103398 844701736 /nfs/dbraw/zinc/70/17/36/844701736.db2.gz HCJDOFMLLGCBRM-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103398 844701739 /nfs/dbraw/zinc/70/17/39/844701739.db2.gz HCJDOFMLLGCBRM-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103398 844701749 /nfs/dbraw/zinc/70/17/49/844701749.db2.gz HCJDOFMLLGCBRM-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103136456 844705483 /nfs/dbraw/zinc/70/54/83/844705483.db2.gz DJUVPDMCNVPBGF-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373418 844744489 /nfs/dbraw/zinc/74/44/89/844744489.db2.gz QEFOEXRGAXQBCS-MGPQQGTHSA-N 2 1 350.463 0.903 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380182 844745477 /nfs/dbraw/zinc/74/54/77/844745477.db2.gz IMEJWGOHQWUNFS-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103396005 844750562 /nfs/dbraw/zinc/75/05/62/844750562.db2.gz YGCDWDXOLSTXNE-NVXWUHKLSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398537 844750693 /nfs/dbraw/zinc/75/06/93/844750693.db2.gz XJBUVOLFMXONTC-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396834 844751446 /nfs/dbraw/zinc/75/14/46/844751446.db2.gz LUIRDRDDDVREMC-HUUCEWRRSA-N 2 1 351.499 0.780 20 0 FCADMP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396834 844751450 /nfs/dbraw/zinc/75/14/50/844751450.db2.gz LUIRDRDDDVREMC-HUUCEWRRSA-N 2 1 351.499 0.780 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001103444024 844760346 /nfs/dbraw/zinc/76/03/46/844760346.db2.gz XGDADOHWURZXJL-OIISXLGYSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497723 844768217 /nfs/dbraw/zinc/76/82/17/844768217.db2.gz VIQOTCPQBVPLDT-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497722 844768303 /nfs/dbraw/zinc/76/83/03/844768303.db2.gz VIQOTCPQBVPLDT-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103612564 844786927 /nfs/dbraw/zinc/78/69/27/844786927.db2.gz JQAQOXFCAYWWNQ-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103612564 844786931 /nfs/dbraw/zinc/78/69/31/844786931.db2.gz JQAQOXFCAYWWNQ-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103612564 844786936 /nfs/dbraw/zinc/78/69/36/844786936.db2.gz JQAQOXFCAYWWNQ-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103612564 844786941 /nfs/dbraw/zinc/78/69/41/844786941.db2.gz JQAQOXFCAYWWNQ-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001103643970 844793822 /nfs/dbraw/zinc/79/38/22/844793822.db2.gz ZRDQFVJIKHNDPG-UKRRQHHQSA-N 2 1 352.483 0.266 20 0 FCADMP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001103643970 844793825 /nfs/dbraw/zinc/79/38/25/844793825.db2.gz ZRDQFVJIKHNDPG-UKRRQHHQSA-N 2 1 352.483 0.266 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722474 844806978 /nfs/dbraw/zinc/80/69/78/844806978.db2.gz OQODCSLBUKNJAR-IXDOHACOSA-N 2 1 371.547 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721189 844807710 /nfs/dbraw/zinc/80/77/10/844807710.db2.gz HCWKSBXTTRULIL-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721189 844807717 /nfs/dbraw/zinc/80/77/17/844807717.db2.gz HCWKSBXTTRULIL-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721189 844807719 /nfs/dbraw/zinc/80/77/19/844807719.db2.gz HCWKSBXTTRULIL-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103755421 844816709 /nfs/dbraw/zinc/81/67/09/844816709.db2.gz GNEHMJZHVGENFL-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103755421 844816711 /nfs/dbraw/zinc/81/67/11/844816711.db2.gz GNEHMJZHVGENFL-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103755421 844816714 /nfs/dbraw/zinc/81/67/14/844816714.db2.gz GNEHMJZHVGENFL-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103754581 844816750 /nfs/dbraw/zinc/81/67/50/844816750.db2.gz LWJMIRCWTBRJBA-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103754581 844816752 /nfs/dbraw/zinc/81/67/52/844816752.db2.gz LWJMIRCWTBRJBA-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103754581 844816755 /nfs/dbraw/zinc/81/67/55/844816755.db2.gz LWJMIRCWTBRJBA-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1oncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034195 844856257 /nfs/dbraw/zinc/85/62/57/844856257.db2.gz XEIVPPOZGPPRFC-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034195 844856260 /nfs/dbraw/zinc/85/62/60/844856260.db2.gz XEIVPPOZGPPRFC-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033921 844856696 /nfs/dbraw/zinc/85/66/96/844856696.db2.gz LQAOYCYFDRNXTP-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033921 844856700 /nfs/dbraw/zinc/85/67/00/844856700.db2.gz LQAOYCYFDRNXTP-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629931 861505677 /nfs/dbraw/zinc/50/56/77/861505677.db2.gz FJFRDGYZHYONBP-VQIMIIECSA-N 2 1 350.507 0.668 20 0 FCADMP CC[C@@H](C)N1C[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630413 861507611 /nfs/dbraw/zinc/50/76/11/861507611.db2.gz TYPCVGFWDWPXLT-IEBWSBKVSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104294463 844891646 /nfs/dbraw/zinc/89/16/46/844891646.db2.gz QQWNNKVMNVFOFX-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104353793 844896990 /nfs/dbraw/zinc/89/69/90/844896990.db2.gz IFXRZYLGOBLTQB-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104589272 844923240 /nfs/dbraw/zinc/92/32/40/844923240.db2.gz WBTVKAMZZBVEFM-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H](O)CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794777 844944732 /nfs/dbraw/zinc/94/47/32/844944732.db2.gz GKHUKQMYKMODEU-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104908500 844958371 /nfs/dbraw/zinc/95/83/71/844958371.db2.gz ZJNMDVAVGGJGBW-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104908331 844958528 /nfs/dbraw/zinc/95/85/28/844958528.db2.gz RWGWGQVEJHLBOZ-ZIAGYGMSSA-N 2 1 355.508 0.691 20 0 FCADMP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001104908084 844958549 /nfs/dbraw/zinc/95/85/49/844958549.db2.gz IKZAXEOPJXSWCW-UKRRQHHQSA-N 2 1 353.467 0.530 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908095 844958634 /nfs/dbraw/zinc/95/86/34/844958634.db2.gz JBCXHFZNRYZLSI-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104938341 844961401 /nfs/dbraw/zinc/96/14/01/844961401.db2.gz UQURKDACHOLCOF-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001105067145 844976903 /nfs/dbraw/zinc/97/69/03/844976903.db2.gz OUUDIRBXBQRTDH-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105642925 845007337 /nfs/dbraw/zinc/00/73/37/845007337.db2.gz OUOACZCGARFBQY-OAFZBRQQSA-N 2 1 355.523 0.675 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667278 845013643 /nfs/dbraw/zinc/01/36/43/845013643.db2.gz AFOFIIBBCBKPJK-RWQQGDIJSA-N 2 1 355.523 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105941566 845063603 /nfs/dbraw/zinc/06/36/03/845063603.db2.gz BWRSNAPGJAZPQK-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001106246546 845142073 /nfs/dbraw/zinc/14/20/73/845142073.db2.gz NZVOBUSSLGKPGI-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106249420 845143187 /nfs/dbraw/zinc/14/31/87/845143187.db2.gz GVBBDWNWVRBOME-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106254982 845144247 /nfs/dbraw/zinc/14/42/47/845144247.db2.gz DNDLKHABXLWGHF-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106340175 845159143 /nfs/dbraw/zinc/15/91/43/845159143.db2.gz NXSKIDWZJBYHDF-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106339953 845159491 /nfs/dbraw/zinc/15/94/91/845159491.db2.gz GYGMOMVLBAWPLL-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352141 845161643 /nfs/dbraw/zinc/16/16/43/845161643.db2.gz FSZWAHRQNUEPCY-CHWSQXEVSA-N 2 1 351.451 0.170 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106765598 845247280 /nfs/dbraw/zinc/24/72/80/845247280.db2.gz KKVFAAXWNVBNLI-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106840400 845265237 /nfs/dbraw/zinc/26/52/37/845265237.db2.gz KZRSSZGNIJXDQL-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981422 845300311 /nfs/dbraw/zinc/30/03/11/845300311.db2.gz MYNOTCGSHJXHNH-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOC3CCC3)[C@H](C)C2)C1 ZINC001107012461 845310235 /nfs/dbraw/zinc/31/02/35/845310235.db2.gz USCSKPJGWYVXEN-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOC3CCC3)[C@H](C)C2)C1 ZINC001107012461 845310244 /nfs/dbraw/zinc/31/02/44/845310244.db2.gz USCSKPJGWYVXEN-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP COC[C@H](C(=O)OC)[N@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727743 861558039 /nfs/dbraw/zinc/55/80/39/861558039.db2.gz SJUJMTOTSHOZAK-RHSMWYFYSA-N 2 1 350.419 0.033 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521019 845389848 /nfs/dbraw/zinc/38/98/48/845389848.db2.gz HNIOFACNGOBBEA-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N(C)C)CC2 ZINC001107546880 845395885 /nfs/dbraw/zinc/39/58/85/845395885.db2.gz RZAALWBTCURDEZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2 ZINC001107546880 845395894 /nfs/dbraw/zinc/39/58/94/845395894.db2.gz RZAALWBTCURDEZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107546880 845395902 /nfs/dbraw/zinc/39/59/02/845395902.db2.gz RZAALWBTCURDEZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1=O ZINC001276735725 861565113 /nfs/dbraw/zinc/56/51/13/861565113.db2.gz HYRAFKOQUPBFEJ-GOSISDBHSA-N 2 1 365.499 0.583 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1=O ZINC001276735725 861565124 /nfs/dbraw/zinc/56/51/24/861565124.db2.gz HYRAFKOQUPBFEJ-GOSISDBHSA-N 2 1 365.499 0.583 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1=O ZINC001276735726 861565484 /nfs/dbraw/zinc/56/54/84/861565484.db2.gz HYRAFKOQUPBFEJ-SFHVURJKSA-N 2 1 365.499 0.583 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1=O ZINC001276735726 861565491 /nfs/dbraw/zinc/56/54/91/861565491.db2.gz HYRAFKOQUPBFEJ-SFHVURJKSA-N 2 1 365.499 0.583 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC)CC[N@@H+]1C ZINC001109305427 845618475 /nfs/dbraw/zinc/61/84/75/845618475.db2.gz IPNLAHDGLZSMPH-HMDCTGQHSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC)CC[N@H+]1C ZINC001109305427 845618481 /nfs/dbraw/zinc/61/84/81/845618481.db2.gz IPNLAHDGLZSMPH-HMDCTGQHSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC)CC[NH+]1C ZINC001109305427 845618486 /nfs/dbraw/zinc/61/84/86/845618486.db2.gz IPNLAHDGLZSMPH-HMDCTGQHSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC)CC[NH+]1C ZINC001109305427 845618493 /nfs/dbraw/zinc/61/84/93/845618493.db2.gz IPNLAHDGLZSMPH-HMDCTGQHSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001109673447 845710911 /nfs/dbraw/zinc/71/09/11/845710911.db2.gz JSWPEWQOOYGTGH-PMPSAXMXSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001109673447 845710921 /nfs/dbraw/zinc/71/09/21/845710921.db2.gz JSWPEWQOOYGTGH-PMPSAXMXSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001109932521 845761915 /nfs/dbraw/zinc/76/19/15/845761915.db2.gz LDGNCQYMBKUVAA-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC ZINC001109932521 845761923 /nfs/dbraw/zinc/76/19/23/845761923.db2.gz LDGNCQYMBKUVAA-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001109932521 845761930 /nfs/dbraw/zinc/76/19/30/845761930.db2.gz LDGNCQYMBKUVAA-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980618 845771862 /nfs/dbraw/zinc/77/18/62/845771862.db2.gz SOQONVGQNGECJH-FZKCQIBNSA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980618 845771869 /nfs/dbraw/zinc/77/18/69/845771869.db2.gz SOQONVGQNGECJH-FZKCQIBNSA-N 2 1 354.495 0.201 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001109979763 845771881 /nfs/dbraw/zinc/77/18/81/845771881.db2.gz CESBRCYXCODGDX-CBBWQLFWSA-N 2 1 361.433 0.710 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@@H]1CC1(F)F ZINC001109979763 845771884 /nfs/dbraw/zinc/77/18/84/845771884.db2.gz CESBRCYXCODGDX-CBBWQLFWSA-N 2 1 361.433 0.710 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110007071 845774168 /nfs/dbraw/zinc/77/41/68/845774168.db2.gz HLOARFKYBFLDPW-QPSCCSFWSA-N 2 1 350.463 0.245 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110007071 845774174 /nfs/dbraw/zinc/77/41/74/845774174.db2.gz HLOARFKYBFLDPW-QPSCCSFWSA-N 2 1 350.463 0.245 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159230 845807704 /nfs/dbraw/zinc/80/77/04/845807704.db2.gz FRGKNGNTVJPYGC-IKGGRYGDSA-N 2 1 354.495 0.201 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159230 845807714 /nfs/dbraw/zinc/80/77/14/845807714.db2.gz FRGKNGNTVJPYGC-IKGGRYGDSA-N 2 1 354.495 0.201 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159230 845807725 /nfs/dbraw/zinc/80/77/25/845807725.db2.gz FRGKNGNTVJPYGC-IKGGRYGDSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001110161467 845808788 /nfs/dbraw/zinc/80/87/88/845808788.db2.gz GQNGUYKNJFSUKP-VSZNYVQBSA-N 2 1 353.507 0.837 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159796 845808949 /nfs/dbraw/zinc/80/89/49/845808949.db2.gz WZUHUZRQUTVVAA-QZWWFDLISA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159796 845808956 /nfs/dbraw/zinc/80/89/56/845808956.db2.gz WZUHUZRQUTVVAA-QZWWFDLISA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159796 845808963 /nfs/dbraw/zinc/80/89/63/845808963.db2.gz WZUHUZRQUTVVAA-QZWWFDLISA-N 2 1 357.495 0.072 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001110959678 846002612 /nfs/dbraw/zinc/00/26/12/846002612.db2.gz WLVGKVWTYLQIRX-OAGGEKHMSA-N 2 1 372.535 0.085 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001110959678 846002614 /nfs/dbraw/zinc/00/26/14/846002614.db2.gz WLVGKVWTYLQIRX-OAGGEKHMSA-N 2 1 372.535 0.085 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276819311 861629571 /nfs/dbraw/zinc/62/95/71/861629571.db2.gz SXMGSLOWHCYXHA-RBSFLKMASA-N 2 1 355.479 0.316 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CC1 ZINC001110976662 846007326 /nfs/dbraw/zinc/00/73/26/846007326.db2.gz RFUCKOCVFLFUOV-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)CC1 ZINC001110976662 846007332 /nfs/dbraw/zinc/00/73/32/846007332.db2.gz RFUCKOCVFLFUOV-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110978829 846007339 /nfs/dbraw/zinc/00/73/39/846007339.db2.gz CIEGYTVBWHRJKB-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110978829 846007341 /nfs/dbraw/zinc/00/73/41/846007341.db2.gz CIEGYTVBWHRJKB-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001111171563 846053166 /nfs/dbraw/zinc/05/31/66/846053166.db2.gz JKEIPCMPXNWULC-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111467355 846118322 /nfs/dbraw/zinc/11/83/22/846118322.db2.gz GQNGUYKNJFSUKP-ZJPYXAASSA-N 2 1 353.507 0.837 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCS(C)(=O)=O)C2 ZINC001111782549 846203851 /nfs/dbraw/zinc/20/38/51/846203851.db2.gz NOVMCUUCZRVMQF-JZXOWHBKSA-N 2 1 371.547 0.876 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCS(C)(=O)=O)C2 ZINC001111782549 846203863 /nfs/dbraw/zinc/20/38/63/846203863.db2.gz NOVMCUUCZRVMQF-JZXOWHBKSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001111782549 846203872 /nfs/dbraw/zinc/20/38/72/846203872.db2.gz NOVMCUUCZRVMQF-JZXOWHBKSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001111782549 846203882 /nfs/dbraw/zinc/20/38/82/846203882.db2.gz NOVMCUUCZRVMQF-JZXOWHBKSA-N 2 1 371.547 0.876 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782669 846204732 /nfs/dbraw/zinc/20/47/32/846204732.db2.gz SQWHGEIOKXJKRZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782669 846204739 /nfs/dbraw/zinc/20/47/39/846204739.db2.gz SQWHGEIOKXJKRZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782669 846204747 /nfs/dbraw/zinc/20/47/47/846204747.db2.gz SQWHGEIOKXJKRZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2)[NH+](C)C ZINC001111789350 846206143 /nfs/dbraw/zinc/20/61/43/846206143.db2.gz OSJZHWQIBRHUHM-FCEWJHQRSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2)[NH+](C)C ZINC001111789350 846206152 /nfs/dbraw/zinc/20/61/52/846206152.db2.gz OSJZHWQIBRHUHM-FCEWJHQRSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111854857 846231426 /nfs/dbraw/zinc/23/14/26/846231426.db2.gz WGVVGWNYUBKWCB-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C2 ZINC001111862511 846235522 /nfs/dbraw/zinc/23/55/22/846235522.db2.gz QHQSJJLTFXNMIX-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)CC1 ZINC001111891407 846249159 /nfs/dbraw/zinc/24/91/59/846249159.db2.gz QLCLJUCVXAPAAZ-HKUYNNGSSA-N 2 1 353.507 0.698 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939633 846269088 /nfs/dbraw/zinc/26/90/88/846269088.db2.gz KJHTWSQFHYOGLN-VKJFTORMSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC001111939742 846269936 /nfs/dbraw/zinc/26/99/36/846269936.db2.gz PTGPKAQCXKZJTD-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983998 846279908 /nfs/dbraw/zinc/27/99/08/846279908.db2.gz VAVJZMMIYSXYLV-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983998 846279916 /nfs/dbraw/zinc/27/99/16/846279916.db2.gz VAVJZMMIYSXYLV-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983998 846279922 /nfs/dbraw/zinc/27/99/22/846279922.db2.gz VAVJZMMIYSXYLV-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004565 846290225 /nfs/dbraw/zinc/29/02/25/846290225.db2.gz JPYVLAVUYWOCSI-WMZOPIPTSA-N 2 1 371.547 0.878 20 0 FCADMP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004565 846290237 /nfs/dbraw/zinc/29/02/37/846290237.db2.gz JPYVLAVUYWOCSI-WMZOPIPTSA-N 2 1 371.547 0.878 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001112004456 846290476 /nfs/dbraw/zinc/29/04/76/846290476.db2.gz CXKOUQOYURLXAJ-DOXZYTNZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001112004456 846290481 /nfs/dbraw/zinc/29/04/81/846290481.db2.gz CXKOUQOYURLXAJ-DOXZYTNZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001112004456 846290485 /nfs/dbraw/zinc/29/04/85/846290485.db2.gz CXKOUQOYURLXAJ-DOXZYTNZSA-N 2 1 350.507 0.964 20 0 FCADMP CCOCC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276874698 861662997 /nfs/dbraw/zinc/66/29/97/861662997.db2.gz OLNOGRYNUKMUJS-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP CCOCC[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276874698 861663002 /nfs/dbraw/zinc/66/30/02/861663002.db2.gz OLNOGRYNUKMUJS-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP CCOCC[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276874698 861663006 /nfs/dbraw/zinc/66/30/06/861663006.db2.gz OLNOGRYNUKMUJS-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070782 846348456 /nfs/dbraw/zinc/34/84/56/846348456.db2.gz FLWBQYMNTZZIMQ-IJLUTSLNSA-N 2 1 350.385 0.148 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070782 846348465 /nfs/dbraw/zinc/34/84/65/846348465.db2.gz FLWBQYMNTZZIMQ-IJLUTSLNSA-N 2 1 350.385 0.148 20 0 FCADMP CCOC(=O)CCC[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276887960 861669827 /nfs/dbraw/zinc/66/98/27/861669827.db2.gz LDTZXJNUTVENOW-GOSISDBHSA-N 2 1 355.479 0.442 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159865 846425477 /nfs/dbraw/zinc/42/54/77/846425477.db2.gz DYCPXPSGUPIBCF-VXGBXAGGSA-N 2 1 352.401 0.442 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167608 846430864 /nfs/dbraw/zinc/43/08/64/846430864.db2.gz UWECFTNZBMCPFX-UTUOFQBUSA-N 2 1 352.401 0.442 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112181989 846441583 /nfs/dbraw/zinc/44/15/83/846441583.db2.gz HZHSCANJEHGFPT-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112197202 846455551 /nfs/dbraw/zinc/45/55/51/846455551.db2.gz DBBXESZRPCSILR-YNEHKIRRSA-N 2 1 366.428 0.832 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112206442 846463370 /nfs/dbraw/zinc/46/33/70/846463370.db2.gz PQQYNCUIPVFACU-RAIGVLPGSA-N 2 1 362.396 0.196 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112206442 846463372 /nfs/dbraw/zinc/46/33/72/846463372.db2.gz PQQYNCUIPVFACU-RAIGVLPGSA-N 2 1 362.396 0.196 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206647 846463750 /nfs/dbraw/zinc/46/37/50/846463750.db2.gz ZHJJGGIQKNQLGY-BFHYXJOUSA-N 2 1 367.412 0.580 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112211963 846468389 /nfs/dbraw/zinc/46/83/89/846468389.db2.gz GCWZRGHNYFDUPG-JHJVBQTASA-N 2 1 364.412 0.536 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112211963 846468395 /nfs/dbraw/zinc/46/83/95/846468395.db2.gz GCWZRGHNYFDUPG-JHJVBQTASA-N 2 1 364.412 0.536 20 0 FCADMP CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291444 846490594 /nfs/dbraw/zinc/49/05/94/846490594.db2.gz KUXZMFHTCAIEQY-SCTDSRPQSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291444 846490598 /nfs/dbraw/zinc/49/05/98/846490598.db2.gz KUXZMFHTCAIEQY-SCTDSRPQSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112396968 846500835 /nfs/dbraw/zinc/50/08/35/846500835.db2.gz MRAPDBVIGMWVGS-BXWFABGCSA-N 2 1 350.507 0.668 20 0 FCADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112428156 846503272 /nfs/dbraw/zinc/50/32/72/846503272.db2.gz COBUHIXSEPGETC-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530080 846516081 /nfs/dbraw/zinc/51/60/81/846516081.db2.gz CDHIPAOWLLVWON-KXBFYZLASA-N 2 1 350.507 0.683 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112557397 846523275 /nfs/dbraw/zinc/52/32/75/846523275.db2.gz DRSSEZWHJJDYDR-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112578649 846529037 /nfs/dbraw/zinc/52/90/37/846529037.db2.gz YQNMJAGVEFMTDR-ZOBUZTSGSA-N 2 1 357.520 0.201 20 0 FCADMP COCCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001112862743 846536249 /nfs/dbraw/zinc/53/62/49/846536249.db2.gz ZJUCKCBOBWOJDS-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001112865274 846537414 /nfs/dbraw/zinc/53/74/14/846537414.db2.gz ZHHFIQZYAOPZLM-MGPQQGTHSA-N 2 1 367.412 0.411 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)CC[N@H+]1C ZINC001112865274 846537420 /nfs/dbraw/zinc/53/74/20/846537420.db2.gz ZHHFIQZYAOPZLM-MGPQQGTHSA-N 2 1 367.412 0.411 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C(C)C)C[C@H]32)CC[N@H+]1C ZINC001114304197 846549803 /nfs/dbraw/zinc/54/98/03/846549803.db2.gz MKYGMIMGWCLVKI-ZNFSNMQZSA-N 2 1 350.507 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C(C)C)C[C@H]32)CC[NH+]1C ZINC001114304197 846549808 /nfs/dbraw/zinc/54/98/08/846549808.db2.gz MKYGMIMGWCLVKI-ZNFSNMQZSA-N 2 1 350.507 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]32)CC[NH+]1C ZINC001114304197 846549812 /nfs/dbraw/zinc/54/98/12/846549812.db2.gz MKYGMIMGWCLVKI-ZNFSNMQZSA-N 2 1 350.507 0.630 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116952410 846817804 /nfs/dbraw/zinc/81/78/04/846817804.db2.gz GQPQVHLDOLONJN-VVLHAWIVSA-N 2 1 352.523 0.879 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001118100850 847278236 /nfs/dbraw/zinc/27/82/36/847278236.db2.gz ZLCSQZWQOSUATE-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc(O)cc(F)c3)C2)OCC1=O ZINC001277205956 861792428 /nfs/dbraw/zinc/79/24/28/861792428.db2.gz NDOVERBDIUHABF-SFHVURJKSA-N 2 1 351.422 0.896 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc(O)cc(F)c3)C2)OCC1=O ZINC001277205956 861792437 /nfs/dbraw/zinc/79/24/37/861792437.db2.gz NDOVERBDIUHABF-SFHVURJKSA-N 2 1 351.422 0.896 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001119368034 847825171 /nfs/dbraw/zinc/82/51/71/847825171.db2.gz CQYKBLTYRCJBEU-OKILXGFUSA-N 2 1 350.488 0.288 20 0 FCADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC001119374652 847826895 /nfs/dbraw/zinc/82/68/95/847826895.db2.gz BTVJGZGTIAIRLY-ROUUACIJSA-N 2 1 353.507 0.711 20 0 FCADMP CC1(C)CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001119423628 847840050 /nfs/dbraw/zinc/84/00/50/847840050.db2.gz AQNCGUNOQLQODF-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119483077 847858633 /nfs/dbraw/zinc/85/86/33/847858633.db2.gz NWVUWSIBTDXDNA-IAGOWNOFSA-N 2 1 353.511 0.306 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC001120590641 848249336 /nfs/dbraw/zinc/24/93/36/848249336.db2.gz PJILSDFPJZOUJQ-ZFWWWQNUSA-N 2 1 359.264 0.845 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC001120590641 848249346 /nfs/dbraw/zinc/24/93/46/848249346.db2.gz PJILSDFPJZOUJQ-ZFWWWQNUSA-N 2 1 359.264 0.845 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@@H](C)C1 ZINC001120604770 848252624 /nfs/dbraw/zinc/25/26/24/848252624.db2.gz PMFLBYAIMYTTSH-WMZOPIPTSA-N 2 1 355.523 0.944 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@@H](C)C1 ZINC001120604770 848252629 /nfs/dbraw/zinc/25/26/29/848252629.db2.gz PMFLBYAIMYTTSH-WMZOPIPTSA-N 2 1 355.523 0.944 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@H]1C ZINC001121362753 848344210 /nfs/dbraw/zinc/34/42/10/848344210.db2.gz QGWDSPBWAOAJMI-CABCVRRESA-N 2 1 350.511 0.906 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001121960706 848425343 /nfs/dbraw/zinc/42/53/43/848425343.db2.gz VNGDFWRWZWIIFC-UHFFFAOYSA-N 2 1 352.479 0.702 20 0 FCADMP CC[NH+]1CC[C@@H](CNC(=O)/C(C)=C\C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC001123506155 848598839 /nfs/dbraw/zinc/59/88/39/848598839.db2.gz VSFFZTKGAKNNQP-KNUIFBHBSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(/C)C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC001123506155 848598844 /nfs/dbraw/zinc/59/88/44/848598844.db2.gz VSFFZTKGAKNNQP-KNUIFBHBSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(/C)C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001123506155 848598850 /nfs/dbraw/zinc/59/88/50/848598850.db2.gz VSFFZTKGAKNNQP-KNUIFBHBSA-N 2 1 350.507 0.849 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790440 848637938 /nfs/dbraw/zinc/63/79/38/848637938.db2.gz ZECQLJXZNUKZTI-WMZOPIPTSA-N 2 1 351.539 0.996 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2cnns2)CC1 ZINC001127570968 848725868 /nfs/dbraw/zinc/72/58/68/848725868.db2.gz IHJRXIYGVZWBAY-CABCVRRESA-N 2 1 353.492 0.491 20 0 FCADMP Cc1cc(=O)n2nc(C[NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)sc2n1 ZINC001127653105 848731378 /nfs/dbraw/zinc/73/13/78/848731378.db2.gz LZVHWVVVYGXGLH-VXGBXAGGSA-N 2 1 364.475 0.005 20 0 FCADMP Cc1cc(=O)n2nc(C[NH2+]CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)sc2n1 ZINC001127653105 848731381 /nfs/dbraw/zinc/73/13/81/848731381.db2.gz LZVHWVVVYGXGLH-VXGBXAGGSA-N 2 1 364.475 0.005 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652902 848731881 /nfs/dbraw/zinc/73/18/81/848731881.db2.gz GXAIGVDCWPTDQK-SQWLQELKSA-N 2 1 366.531 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001127695644 848732691 /nfs/dbraw/zinc/73/26/91/848732691.db2.gz RYHVSAIGYPOKQX-ARFHVFGLSA-N 2 1 350.438 0.788 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001127695644 848732701 /nfs/dbraw/zinc/73/27/01/848732701.db2.gz RYHVSAIGYPOKQX-ARFHVFGLSA-N 2 1 350.438 0.788 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001127706535 848733172 /nfs/dbraw/zinc/73/31/72/848733172.db2.gz MJBNANWYRREBKK-MELADBBJSA-N 2 1 355.483 0.045 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685443 848881471 /nfs/dbraw/zinc/88/14/71/848881471.db2.gz RTBRHZWWWLDCGA-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899944 848910739 /nfs/dbraw/zinc/91/07/39/848910739.db2.gz SUDPQOVYNLPQFV-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129899998 848911897 /nfs/dbraw/zinc/91/18/97/848911897.db2.gz WIGGUVULOJQWAP-XHSDSOJGSA-N 2 1 352.458 0.854 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129980696 848925427 /nfs/dbraw/zinc/92/54/27/848925427.db2.gz USXWVYNOHIHWBP-JONQDZQNSA-N 2 1 352.458 0.710 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130123430 848947406 /nfs/dbraw/zinc/94/74/06/848947406.db2.gz QSODMWYXOMEHNE-XHSDSOJGSA-N 2 1 352.458 0.711 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001130182534 848959715 /nfs/dbraw/zinc/95/97/15/848959715.db2.gz LYRLFADRBYJBGH-HZPDHXFCSA-N 2 1 356.511 0.304 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001130182534 848959718 /nfs/dbraw/zinc/95/97/18/848959718.db2.gz LYRLFADRBYJBGH-HZPDHXFCSA-N 2 1 356.511 0.304 20 0 FCADMP COc1cccc(OCC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130182321 848960583 /nfs/dbraw/zinc/96/05/83/848960583.db2.gz CFNJIKDDUDFWCW-RHSMWYFYSA-N 2 1 351.447 0.499 20 0 FCADMP COc1cccc(OCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130182321 848960586 /nfs/dbraw/zinc/96/05/86/848960586.db2.gz CFNJIKDDUDFWCW-RHSMWYFYSA-N 2 1 351.447 0.499 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CCCCC2)O1 ZINC001130184739 848963184 /nfs/dbraw/zinc/96/31/84/848963184.db2.gz YPVLVHJXNLEZHL-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CCCCC2)O1 ZINC001130184739 848963186 /nfs/dbraw/zinc/96/31/86/848963186.db2.gz YPVLVHJXNLEZHL-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737003 849030971 /nfs/dbraw/zinc/03/09/71/849030971.db2.gz UELMHYSFBNEIJB-HLLBOEOZSA-N 2 1 351.495 0.679 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817197 849048051 /nfs/dbraw/zinc/04/80/51/849048051.db2.gz FHVCUQBJHVOXHJ-MELADBBJSA-N 2 1 350.467 0.592 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817197 849048054 /nfs/dbraw/zinc/04/80/54/849048054.db2.gz FHVCUQBJHVOXHJ-MELADBBJSA-N 2 1 350.467 0.592 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817197 849048062 /nfs/dbraw/zinc/04/80/62/849048062.db2.gz FHVCUQBJHVOXHJ-MELADBBJSA-N 2 1 350.467 0.592 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130345 849082076 /nfs/dbraw/zinc/08/20/76/849082076.db2.gz HQCJIAANLLLOKC-ARFHVFGLSA-N 2 1 351.495 0.679 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131132406 849082906 /nfs/dbraw/zinc/08/29/06/849082906.db2.gz JOFDQFZVGXEGGL-ARFHVFGLSA-N 2 1 351.495 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)CC[N@H+]1C ZINC001131499996 849113982 /nfs/dbraw/zinc/11/39/82/849113982.db2.gz DCDCDVQYTIZUFD-DDBAPUKQSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277695615 862000344 /nfs/dbraw/zinc/00/03/44/862000344.db2.gz QEMAJYJAQAXHOL-BXUZGUMPSA-N 2 1 351.369 0.312 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)CN(C)C(N)=[NH2+])c1ccc(Cl)cc1 ZINC001144148999 849510701 /nfs/dbraw/zinc/51/07/01/849510701.db2.gz AHNJTKICASTRAT-AWEZNQCLSA-N 2 1 355.870 0.901 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001147582847 849585251 /nfs/dbraw/zinc/58/52/51/849585251.db2.gz FLDJHQSEGWZBCY-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001147582847 849585260 /nfs/dbraw/zinc/58/52/60/849585260.db2.gz FLDJHQSEGWZBCY-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CCCS(C)(=O)=O)C3)CC[NH+]1C ZINC001147582847 849585265 /nfs/dbraw/zinc/58/52/65/849585265.db2.gz FLDJHQSEGWZBCY-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCCS(C)(=O)=O)C3)CC[NH+]1C ZINC001147582847 849585271 /nfs/dbraw/zinc/58/52/71/849585271.db2.gz FLDJHQSEGWZBCY-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCOCCOC)C3)CC[N@H+]1C ZINC001147583533 849586738 /nfs/dbraw/zinc/58/67/38/849586738.db2.gz UCGPJKJJUYSWNH-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCOCCOC)C3)CC[NH+]1C ZINC001147583533 849586744 /nfs/dbraw/zinc/58/67/44/849586744.db2.gz UCGPJKJJUYSWNH-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCOCCOC)C3)CC[NH+]1C ZINC001147583533 849586749 /nfs/dbraw/zinc/58/67/49/849586749.db2.gz UCGPJKJJUYSWNH-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001152144030 849706012 /nfs/dbraw/zinc/70/60/12/849706012.db2.gz RCRBTZUSIIJLHM-QGZVFWFLSA-N 2 1 353.507 0.793 20 0 FCADMP CC[N@H+](CC(=O)NCC(F)(F)F)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445787 849745933 /nfs/dbraw/zinc/74/59/33/849745933.db2.gz LNQDOELNKQCGRU-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CC[N@@H+](CC(=O)NCC(F)(F)F)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445787 849745940 /nfs/dbraw/zinc/74/59/40/849745940.db2.gz LNQDOELNKQCGRU-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CC[NH+](CC(=O)NCC(F)(F)F)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445787 849745952 /nfs/dbraw/zinc/74/59/52/849745952.db2.gz LNQDOELNKQCGRU-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CC[NH+](CC(=O)NCC(F)(F)F)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445787 849745959 /nfs/dbraw/zinc/74/59/59/849745959.db2.gz LNQDOELNKQCGRU-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)O)CC1 ZINC001277761159 862056138 /nfs/dbraw/zinc/05/61/38/862056138.db2.gz JKPSQBIVVPLLTQ-IAGOWNOFSA-N 2 1 352.523 0.460 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)O)CC1 ZINC001277761159 862056147 /nfs/dbraw/zinc/05/61/47/862056147.db2.gz JKPSQBIVVPLLTQ-IAGOWNOFSA-N 2 1 352.523 0.460 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)O)CC1 ZINC001277761159 862056161 /nfs/dbraw/zinc/05/61/61/862056161.db2.gz JKPSQBIVVPLLTQ-IAGOWNOFSA-N 2 1 352.523 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001158379488 850041493 /nfs/dbraw/zinc/04/14/93/850041493.db2.gz AQSIFDXLZLOCSB-NVXWUHKLSA-N 2 1 367.515 0.896 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001158379979 850041669 /nfs/dbraw/zinc/04/16/69/850041669.db2.gz IYEVTGJOZUZDHK-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@H+]1C ZINC001158380039 850041708 /nfs/dbraw/zinc/04/17/08/850041708.db2.gz KQUBPXPTYJAANO-FRRDWIJNSA-N 2 1 355.401 0.362 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380892 850042524 /nfs/dbraw/zinc/04/25/24/850042524.db2.gz WHKGVQWQXVYCQZ-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nnc(C)s2)CC[N@H+]1C ZINC001158403336 850046191 /nfs/dbraw/zinc/04/61/91/850046191.db2.gz FTEPXMWBYNMOBC-QWHCGFSZSA-N 2 1 368.507 0.611 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001158404818 850047570 /nfs/dbraw/zinc/04/75/70/850047570.db2.gz ZJRDLSUWPDSDQK-OWCLPIDISA-N 2 1 359.536 0.637 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1ccsc1)CC2 ZINC001158891213 850083647 /nfs/dbraw/zinc/08/36/47/850083647.db2.gz XAFLWIIDGCBLIR-HNNXBMFYSA-N 2 1 364.515 0.821 20 0 FCADMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793991 862096927 /nfs/dbraw/zinc/09/69/27/862096927.db2.gz BXWNZBLBXWCAFX-YJBOKZPZSA-N 2 1 355.479 0.175 20 0 FCADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC3)cs1 ZINC001158976596 850089563 /nfs/dbraw/zinc/08/95/63/850089563.db2.gz KOUGKKOHVHRUNS-HOTGVXAUSA-N 2 1 364.515 0.989 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CC[C@@H]4[NH3+])C3)O2)CC1 ZINC001159756831 850133205 /nfs/dbraw/zinc/13/32/05/850133205.db2.gz GCWDSVUZHJXWSK-VUHPKUFZSA-N 2 1 350.507 0.511 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834270 850139400 /nfs/dbraw/zinc/13/94/00/850139400.db2.gz UODOINIOFYUXRN-GOEBONIOSA-N 2 1 363.531 0.908 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159908871 850145557 /nfs/dbraw/zinc/14/55/57/850145557.db2.gz KQQRZTAMPWPNSK-RMRHIDDWSA-N 2 1 354.476 0.342 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001160169049 850156359 /nfs/dbraw/zinc/15/63/59/850156359.db2.gz HKMZKVJPSXFXHA-DLBZAZTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001160169049 850156364 /nfs/dbraw/zinc/15/63/64/850156364.db2.gz HKMZKVJPSXFXHA-DLBZAZTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001160169049 850156369 /nfs/dbraw/zinc/15/63/69/850156369.db2.gz HKMZKVJPSXFXHA-DLBZAZTESA-N 2 1 350.507 0.943 20 0 FCADMP [NH3+]C[C@@]1(Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C[NH+]2CCC1CC2 ZINC001160519950 850179610 /nfs/dbraw/zinc/17/96/10/850179610.db2.gz OAVPSDWPFXZKRJ-QGZVFWFLSA-N 2 1 365.503 0.701 20 0 FCADMP CC(C)NS(=O)(=O)c1ccc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1 ZINC001160520043 850179684 /nfs/dbraw/zinc/17/96/84/850179684.db2.gz PKRVUSJOARFYJG-INIZCTEOSA-N 2 1 353.492 0.603 20 0 FCADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857781 850207650 /nfs/dbraw/zinc/20/76/50/850207650.db2.gz QITHXWQVULESCS-QLFBSQMISA-N 2 1 356.511 0.495 20 0 FCADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857781 850207666 /nfs/dbraw/zinc/20/76/66/850207666.db2.gz QITHXWQVULESCS-QLFBSQMISA-N 2 1 356.511 0.495 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCCCC2)O1 ZINC001160861913 850208716 /nfs/dbraw/zinc/20/87/16/850208716.db2.gz AKCTWKMMPBLHKQ-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCCCC2)O1 ZINC001160861913 850208727 /nfs/dbraw/zinc/20/87/27/850208727.db2.gz AKCTWKMMPBLHKQ-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)(C)[C@@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196452 850238525 /nfs/dbraw/zinc/23/85/25/850238525.db2.gz IHRRGIVPLQPFRW-KRWDZBQOSA-N 3 1 354.539 0.910 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC001161196455 850239512 /nfs/dbraw/zinc/23/95/12/850239512.db2.gz INERHHWYUAJPNF-UHFFFAOYSA-N 3 1 350.507 0.289 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](C[C@@H](C)O)CC2)CC[N@H+]1C ZINC001162275496 850306506 /nfs/dbraw/zinc/30/65/06/850306506.db2.gz UMYDQKYNBVHXSF-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP CN(c1nc2ccccc2nc1N1CC[NH+](C)CC1)S(=O)(=O)CC[NH3+] ZINC001164286845 850401609 /nfs/dbraw/zinc/40/16/09/850401609.db2.gz BYNYSGQAHDVFKL-UHFFFAOYSA-N 2 1 364.475 0.106 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001164576073 850417382 /nfs/dbraw/zinc/41/73/82/850417382.db2.gz MRIDTJUGZSCZHT-SQWLQELKSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001164582417 850417400 /nfs/dbraw/zinc/41/74/00/850417400.db2.gz LBJDIKXRWOFHIJ-MGPQQGTHSA-N 2 1 350.463 0.008 20 0 FCADMP CCOC(=O)N1CCC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001169650385 850631947 /nfs/dbraw/zinc/63/19/47/850631947.db2.gz YMFSFYVUAPKOHR-OLZOCXBDSA-N 2 1 357.455 0.392 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CC[NH+](C)CC3)ncn2)O1 ZINC001170271499 850648757 /nfs/dbraw/zinc/64/87/57/850648757.db2.gz BDENNLBBDQEEDQ-CPUCHLNUSA-N 2 1 350.467 0.365 20 0 FCADMP C[NH+]1CCN(C(=O)c2cccc(NCCOCCOCC[NH3+])c2)CC1 ZINC001170513456 850656186 /nfs/dbraw/zinc/65/61/86/850656186.db2.gz ZMKWZTRXQCCCNJ-UHFFFAOYSA-N 2 1 350.463 0.478 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863026 850668639 /nfs/dbraw/zinc/66/86/39/850668639.db2.gz TUCZIXJTPPWBJK-MGPQQGTHSA-N 2 1 355.483 0.047 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]2COC[C@H]12 ZINC001172116509 850703671 /nfs/dbraw/zinc/70/36/71/850703671.db2.gz FNEPYGSFKAQLPU-PYTCMNEWSA-N 2 1 351.491 0.806 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]2COC[C@H]12 ZINC001172116509 850703688 /nfs/dbraw/zinc/70/36/88/850703688.db2.gz FNEPYGSFKAQLPU-PYTCMNEWSA-N 2 1 351.491 0.806 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]2COC[C@H]12 ZINC001172116509 850703698 /nfs/dbraw/zinc/70/36/98/850703698.db2.gz FNEPYGSFKAQLPU-PYTCMNEWSA-N 2 1 351.491 0.806 20 0 FCADMP Cc1ncc(F)cc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001278021220 862168853 /nfs/dbraw/zinc/16/88/53/862168853.db2.gz PLGXPBBEXSPUNL-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1ncc(F)cc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001278021220 862168867 /nfs/dbraw/zinc/16/88/67/862168867.db2.gz PLGXPBBEXSPUNL-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2nnn(C)n2)CC[N@@H+]1C ZINC001178522272 850905039 /nfs/dbraw/zinc/90/50/39/850905039.db2.gz KEWLAGYFDOKDME-LSDHHAIUSA-N 2 1 351.499 0.707 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2nnn(C)n2)CC[N@H+]1C ZINC001178522272 850905042 /nfs/dbraw/zinc/90/50/42/850905042.db2.gz KEWLAGYFDOKDME-LSDHHAIUSA-N 2 1 351.499 0.707 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178517922 850905088 /nfs/dbraw/zinc/90/50/88/850905088.db2.gz ACOVJGWEURWZIA-ZIAGYGMSSA-N 2 1 355.483 0.048 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2nccn2C)O1 ZINC001178810911 850934184 /nfs/dbraw/zinc/93/41/84/850934184.db2.gz OIDGHKCALQVQGF-HZPDHXFCSA-N 2 1 351.495 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2nccn2C)O1 ZINC001178810911 850934191 /nfs/dbraw/zinc/93/41/91/850934191.db2.gz OIDGHKCALQVQGF-HZPDHXFCSA-N 2 1 351.495 0.905 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518022 851116830 /nfs/dbraw/zinc/11/68/30/851116830.db2.gz NCYANHPREHHLCR-YYAJDYIMSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001182692862 851192667 /nfs/dbraw/zinc/19/26/67/851192667.db2.gz PCMFTWRRXXKRDF-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183591294 851254466 /nfs/dbraw/zinc/25/44/66/851254466.db2.gz JDUXLFFQQWTAIV-FVQBIDKESA-N 2 1 354.495 0.201 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183591294 851254469 /nfs/dbraw/zinc/25/44/69/851254469.db2.gz JDUXLFFQQWTAIV-FVQBIDKESA-N 2 1 354.495 0.201 20 0 FCADMP CCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958297 851631654 /nfs/dbraw/zinc/63/16/54/851631654.db2.gz PFRSCVRYKODYIJ-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958297 851631657 /nfs/dbraw/zinc/63/16/57/851631657.db2.gz PFRSCVRYKODYIJ-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958297 851631662 /nfs/dbraw/zinc/63/16/62/851631662.db2.gz PFRSCVRYKODYIJ-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958297 851631666 /nfs/dbraw/zinc/63/16/66/851631666.db2.gz PFRSCVRYKODYIJ-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958297 851631668 /nfs/dbraw/zinc/63/16/68/851631668.db2.gz PFRSCVRYKODYIJ-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107504 851646355 /nfs/dbraw/zinc/64/63/55/851646355.db2.gz RYFINOUBJISFKM-HRCADAONSA-N 2 1 356.486 0.677 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107504 851646360 /nfs/dbraw/zinc/64/63/60/851646360.db2.gz RYFINOUBJISFKM-HRCADAONSA-N 2 1 356.486 0.677 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690201 851720280 /nfs/dbraw/zinc/72/02/80/851720280.db2.gz JKKRMEOIOIBSFP-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188897201 851732106 /nfs/dbraw/zinc/73/21/06/851732106.db2.gz TUSDJJRXGPJGFE-RCCFBDPRSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001188897201 851732111 /nfs/dbraw/zinc/73/21/11/851732111.db2.gz TUSDJJRXGPJGFE-RCCFBDPRSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001188897201 851732117 /nfs/dbraw/zinc/73/21/17/851732117.db2.gz TUSDJJRXGPJGFE-RCCFBDPRSA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963729 851738367 /nfs/dbraw/zinc/73/83/67/851738367.db2.gz PXJVOSMNBROWHJ-JKSUJKDBSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963729 851738369 /nfs/dbraw/zinc/73/83/69/851738369.db2.gz PXJVOSMNBROWHJ-JKSUJKDBSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001188971457 851739586 /nfs/dbraw/zinc/73/95/86/851739586.db2.gz UBECYGVVCYPZOK-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001188971457 851739591 /nfs/dbraw/zinc/73/95/91/851739591.db2.gz UBECYGVVCYPZOK-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034216 851744163 /nfs/dbraw/zinc/74/41/63/851744163.db2.gz CCPJYGIUCUDPGO-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189529984 851798916 /nfs/dbraw/zinc/79/89/16/851798916.db2.gz BPKYIWGWJKFYKH-ZWKOTPCHSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001189801724 851826284 /nfs/dbraw/zinc/82/62/84/851826284.db2.gz JXHYZXPDXBKPHR-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001189801724 851826288 /nfs/dbraw/zinc/82/62/88/851826288.db2.gz JXHYZXPDXBKPHR-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189898245 851839179 /nfs/dbraw/zinc/83/91/79/851839179.db2.gz HOTXYLSNVHSPIB-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189898245 851839189 /nfs/dbraw/zinc/83/91/89/851839189.db2.gz HOTXYLSNVHSPIB-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189898245 851839200 /nfs/dbraw/zinc/83/92/00/851839200.db2.gz HOTXYLSNVHSPIB-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189898245 851839210 /nfs/dbraw/zinc/83/92/10/851839210.db2.gz HOTXYLSNVHSPIB-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149215 851867230 /nfs/dbraw/zinc/86/72/30/851867230.db2.gz UVDVNWXAIGMDSL-HRCADAONSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149215 851867231 /nfs/dbraw/zinc/86/72/31/851867231.db2.gz UVDVNWXAIGMDSL-HRCADAONSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149215 851867232 /nfs/dbraw/zinc/86/72/32/851867232.db2.gz UVDVNWXAIGMDSL-HRCADAONSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149215 851867233 /nfs/dbraw/zinc/86/72/33/851867233.db2.gz UVDVNWXAIGMDSL-HRCADAONSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148846 851867436 /nfs/dbraw/zinc/86/74/36/851867436.db2.gz KMRANOXQVPRSPF-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148846 851867446 /nfs/dbraw/zinc/86/74/46/851867446.db2.gz KMRANOXQVPRSPF-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148846 851867459 /nfs/dbraw/zinc/86/74/59/851867459.db2.gz KMRANOXQVPRSPF-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148846 851867468 /nfs/dbraw/zinc/86/74/68/851867468.db2.gz KMRANOXQVPRSPF-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP CC(=O)NCCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237412 851881217 /nfs/dbraw/zinc/88/12/17/851881217.db2.gz BLWMCJWKSCUFSK-HYVNUMGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001190238027 851882704 /nfs/dbraw/zinc/88/27/04/851882704.db2.gz HZLRIMANBIPZQY-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001190238027 851882713 /nfs/dbraw/zinc/88/27/13/851882713.db2.gz HZLRIMANBIPZQY-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001190238027 851882722 /nfs/dbraw/zinc/88/27/22/851882722.db2.gz HZLRIMANBIPZQY-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001190238027 851882730 /nfs/dbraw/zinc/88/27/30/851882730.db2.gz HZLRIMANBIPZQY-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001190351409 851894895 /nfs/dbraw/zinc/89/48/95/851894895.db2.gz YMHDGYQKBJEOHM-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001190351409 851894908 /nfs/dbraw/zinc/89/49/08/851894908.db2.gz YMHDGYQKBJEOHM-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001190351409 851894917 /nfs/dbraw/zinc/89/49/17/851894917.db2.gz YMHDGYQKBJEOHM-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001190351409 851894922 /nfs/dbraw/zinc/89/49/22/851894922.db2.gz YMHDGYQKBJEOHM-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371101 851898739 /nfs/dbraw/zinc/89/87/39/851898739.db2.gz NSXKRRLECLMWJB-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371101 851898748 /nfs/dbraw/zinc/89/87/48/851898748.db2.gz NSXKRRLECLMWJB-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371101 851898757 /nfs/dbraw/zinc/89/87/57/851898757.db2.gz NSXKRRLECLMWJB-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001190371101 851898766 /nfs/dbraw/zinc/89/87/66/851898766.db2.gz NSXKRRLECLMWJB-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784908 852137591 /nfs/dbraw/zinc/13/75/91/852137591.db2.gz KRTBJNQYJOYVDZ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784908 852137592 /nfs/dbraw/zinc/13/75/92/852137592.db2.gz KRTBJNQYJOYVDZ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784908 852137594 /nfs/dbraw/zinc/13/75/94/852137594.db2.gz KRTBJNQYJOYVDZ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001191784908 852137596 /nfs/dbraw/zinc/13/75/96/852137596.db2.gz KRTBJNQYJOYVDZ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001192976907 852327221 /nfs/dbraw/zinc/32/72/21/852327221.db2.gz ACGFOCVBLZSJBJ-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001192976907 852327225 /nfs/dbraw/zinc/32/72/25/852327225.db2.gz ACGFOCVBLZSJBJ-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755158 852481781 /nfs/dbraw/zinc/48/17/81/852481781.db2.gz GWIKIXJMOXEGEG-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755158 852481785 /nfs/dbraw/zinc/48/17/85/852481785.db2.gz GWIKIXJMOXEGEG-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193812631 852493085 /nfs/dbraw/zinc/49/30/85/852493085.db2.gz QXZWSFPCRNOCSM-ZIAGYGMSSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193812631 852493093 /nfs/dbraw/zinc/49/30/93/852493093.db2.gz QXZWSFPCRNOCSM-ZIAGYGMSSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193812631 852493097 /nfs/dbraw/zinc/49/30/97/852493097.db2.gz QXZWSFPCRNOCSM-ZIAGYGMSSA-N 2 1 367.412 0.601 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822207 852494590 /nfs/dbraw/zinc/49/45/90/852494590.db2.gz ZTZSDKMPGRBSHC-KZNAEPCWSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822207 852494596 /nfs/dbraw/zinc/49/45/96/852494596.db2.gz ZTZSDKMPGRBSHC-KZNAEPCWSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822207 852494602 /nfs/dbraw/zinc/49/46/02/852494602.db2.gz ZTZSDKMPGRBSHC-KZNAEPCWSA-N 2 1 353.507 0.573 20 0 FCADMP CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194265661 852569516 /nfs/dbraw/zinc/56/95/16/852569516.db2.gz VGGBKEAWWJGQSB-RRFJBIMHSA-N 2 1 356.511 0.183 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001194832941 852658815 /nfs/dbraw/zinc/65/88/15/852658815.db2.gz WTARIEISJXOMLI-DSZOFWSKSA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001194832941 852658817 /nfs/dbraw/zinc/65/88/17/852658817.db2.gz WTARIEISJXOMLI-DSZOFWSKSA-N 2 1 355.454 0.151 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CC1 ZINC001195214083 852725749 /nfs/dbraw/zinc/72/57/49/852725749.db2.gz FBMKYPRSSCYWGU-ZACQAIPSSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cs1 ZINC001195661590 852807434 /nfs/dbraw/zinc/80/74/34/852807434.db2.gz RHBXQZVJFUZSNJ-HUUCEWRRSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cs1 ZINC001195661590 852807439 /nfs/dbraw/zinc/80/74/39/852807439.db2.gz RHBXQZVJFUZSNJ-HUUCEWRRSA-N 2 1 352.504 0.497 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001195708356 852816187 /nfs/dbraw/zinc/81/61/87/852816187.db2.gz LWIDFAQDHSOBCL-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001195708356 852816197 /nfs/dbraw/zinc/81/61/97/852816197.db2.gz LWIDFAQDHSOBCL-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001195708958 852816422 /nfs/dbraw/zinc/81/64/22/852816422.db2.gz UMBNUCGGPZALHN-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001195708958 852816432 /nfs/dbraw/zinc/81/64/32/852816432.db2.gz UMBNUCGGPZALHN-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001195899796 852844781 /nfs/dbraw/zinc/84/47/81/852844781.db2.gz FKAMQSNMFJOCOP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001195899796 852844786 /nfs/dbraw/zinc/84/47/86/852844786.db2.gz FKAMQSNMFJOCOP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCNC(=O)C3CC3)CC2)CC[NH+]1C ZINC001195899796 852844792 /nfs/dbraw/zinc/84/47/92/852844792.db2.gz FKAMQSNMFJOCOP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCNC(=O)C3CC3)CC2)CC[NH+]1C ZINC001195899796 852844796 /nfs/dbraw/zinc/84/47/96/852844796.db2.gz FKAMQSNMFJOCOP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252053 852925157 /nfs/dbraw/zinc/92/51/57/852925157.db2.gz QFRUTFNJUWACBE-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001196919417 853030106 /nfs/dbraw/zinc/03/01/06/853030106.db2.gz LQKDCFMBUMUMGF-BRWVUGGUSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001196919417 853030112 /nfs/dbraw/zinc/03/01/12/853030112.db2.gz LQKDCFMBUMUMGF-BRWVUGGUSA-N 2 1 350.463 0.702 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C(C)C ZINC001197018492 853049753 /nfs/dbraw/zinc/04/97/53/853049753.db2.gz VSBSUPPCXUMIHJ-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)C(C)C ZINC001197024657 853050857 /nfs/dbraw/zinc/05/08/57/853050857.db2.gz GXYCLPHCANMQHA-FMKPAKJESA-N 2 1 365.465 0.796 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)C(C)C ZINC001197024657 853050866 /nfs/dbraw/zinc/05/08/66/853050866.db2.gz GXYCLPHCANMQHA-FMKPAKJESA-N 2 1 365.465 0.796 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001197140555 853065838 /nfs/dbraw/zinc/06/58/38/853065838.db2.gz YNUHUYOHXXVITQ-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC001197140555 853065845 /nfs/dbraw/zinc/06/58/45/853065845.db2.gz YNUHUYOHXXVITQ-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197948771 853190098 /nfs/dbraw/zinc/19/00/98/853190098.db2.gz LGQNNXDIHCCTOJ-YNEHKIRRSA-N 2 1 355.401 0.193 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001197948771 853190099 /nfs/dbraw/zinc/19/00/99/853190099.db2.gz LGQNNXDIHCCTOJ-YNEHKIRRSA-N 2 1 355.401 0.193 20 0 FCADMP CC(C)CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 ZINC001198275833 853243313 /nfs/dbraw/zinc/24/33/13/853243313.db2.gz BSLWXIDVGWHXPW-IAGOWNOFSA-N 2 1 352.479 0.577 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653651 853296951 /nfs/dbraw/zinc/29/69/51/853296951.db2.gz LOFZAPKBJIYKKD-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653651 853296956 /nfs/dbraw/zinc/29/69/56/853296956.db2.gz LOFZAPKBJIYKKD-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653651 853296963 /nfs/dbraw/zinc/29/69/63/853296963.db2.gz LOFZAPKBJIYKKD-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001198672665 853299297 /nfs/dbraw/zinc/29/92/97/853299297.db2.gz PKSSDZDKOFLUGU-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001198672665 853299307 /nfs/dbraw/zinc/29/93/07/853299307.db2.gz PKSSDZDKOFLUGU-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001199029993 853357897 /nfs/dbraw/zinc/35/78/97/853357897.db2.gz OURJBWNYFMWVQH-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001199369968 853413549 /nfs/dbraw/zinc/41/35/49/853413549.db2.gz FMGPHZDWFFVBLQ-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001199948306 853467102 /nfs/dbraw/zinc/46/71/02/853467102.db2.gz SASQECGUOZCTPX-MRXNPFEDSA-N 2 1 356.536 0.380 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556486 853502079 /nfs/dbraw/zinc/50/20/79/853502079.db2.gz ZZJMQUVAJKTIEZ-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229652 853520261 /nfs/dbraw/zinc/52/02/61/853520261.db2.gz FLZLJOCXVSAHDL-IIAWOOMASA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229652 853520269 /nfs/dbraw/zinc/52/02/69/853520269.db2.gz FLZLJOCXVSAHDL-IIAWOOMASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001205335395 853604021 /nfs/dbraw/zinc/60/40/21/853604021.db2.gz YURWPQKWZMQXNR-GDBMZVCRSA-N 2 1 351.495 0.180 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980146 853775778 /nfs/dbraw/zinc/77/57/78/853775778.db2.gz FDWQNWYJKDMJKB-HYVNUMGLSA-N 2 1 350.507 0.537 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980146 853775782 /nfs/dbraw/zinc/77/57/82/853775782.db2.gz FDWQNWYJKDMJKB-HYVNUMGLSA-N 2 1 350.507 0.537 20 0 FCADMP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986516 853777066 /nfs/dbraw/zinc/77/70/66/853777066.db2.gz UPFTUOFRABNODS-NVXWUHKLSA-N 2 1 351.495 0.921 20 0 FCADMP O=C([C@H]1C[C@@]2(CO1)CCC[N@@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437410 853813586 /nfs/dbraw/zinc/81/35/86/853813586.db2.gz WJXSZGQBASXLGQ-MJGOQNOKSA-N 2 1 351.491 0.716 20 0 FCADMP CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482197 853818788 /nfs/dbraw/zinc/81/87/88/853818788.db2.gz KPLXCEMOEPNSLZ-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207547113 853823236 /nfs/dbraw/zinc/82/32/36/853823236.db2.gz LNRYPFZVWQKMPM-QBIMZIAESA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207547113 853823240 /nfs/dbraw/zinc/82/32/40/853823240.db2.gz LNRYPFZVWQKMPM-QBIMZIAESA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705989 853843048 /nfs/dbraw/zinc/84/30/48/853843048.db2.gz MKUYAUNIXDFUSZ-IXDOHACOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757703 853855696 /nfs/dbraw/zinc/85/56/96/853855696.db2.gz KBYWCOMIDQBESS-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757703 853855698 /nfs/dbraw/zinc/85/56/98/853855698.db2.gz KBYWCOMIDQBESS-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757703 853855699 /nfs/dbraw/zinc/85/56/99/853855699.db2.gz KBYWCOMIDQBESS-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757703 853855700 /nfs/dbraw/zinc/85/57/00/853855700.db2.gz KBYWCOMIDQBESS-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070409 853891921 /nfs/dbraw/zinc/89/19/21/853891921.db2.gz LICMBUFKBXZUPA-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001208407637 853928973 /nfs/dbraw/zinc/92/89/73/853928973.db2.gz GIBCGATUFOMSRP-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001208407637 853928976 /nfs/dbraw/zinc/92/89/76/853928976.db2.gz GIBCGATUFOMSRP-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208412867 853930143 /nfs/dbraw/zinc/93/01/43/853930143.db2.gz QNRGCZCXEFJZGV-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001208412867 853930147 /nfs/dbraw/zinc/93/01/47/853930147.db2.gz QNRGCZCXEFJZGV-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001208412867 853930152 /nfs/dbraw/zinc/93/01/52/853930152.db2.gz QNRGCZCXEFJZGV-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425704 853932300 /nfs/dbraw/zinc/93/23/00/853932300.db2.gz UEZKJSFRKUANBI-OWCLPIDISA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425704 853932303 /nfs/dbraw/zinc/93/23/03/853932303.db2.gz UEZKJSFRKUANBI-OWCLPIDISA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001208434804 853933337 /nfs/dbraw/zinc/93/33/37/853933337.db2.gz CQFWXQWWUCAZPL-BZUAXINKSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001208435140 853934814 /nfs/dbraw/zinc/93/48/14/853934814.db2.gz USGZXIYLNHYBCW-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001208435140 853934817 /nfs/dbraw/zinc/93/48/17/853934817.db2.gz USGZXIYLNHYBCW-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC)C2)CC1 ZINC001208596172 853957117 /nfs/dbraw/zinc/95/71/17/853957117.db2.gz DXOUJKGRWYITHF-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1)C1CC1 ZINC001208597632 853959421 /nfs/dbraw/zinc/95/94/21/853959421.db2.gz QKQVXCJQNCRVLC-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1)C1CC1 ZINC001208597632 853959424 /nfs/dbraw/zinc/95/94/24/853959424.db2.gz QKQVXCJQNCRVLC-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C1CC1 ZINC001208597632 853959427 /nfs/dbraw/zinc/95/94/27/853959427.db2.gz QKQVXCJQNCRVLC-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)C1CC1 ZINC001208597632 853959430 /nfs/dbraw/zinc/95/94/30/853959430.db2.gz QKQVXCJQNCRVLC-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738943 853970928 /nfs/dbraw/zinc/97/09/28/853970928.db2.gz MBNYTIGNSPQOLC-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738943 853970930 /nfs/dbraw/zinc/97/09/30/853970930.db2.gz MBNYTIGNSPQOLC-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001208739114 853971063 /nfs/dbraw/zinc/97/10/63/853971063.db2.gz NUVBCQNZNGSIMC-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001208739114 853971065 /nfs/dbraw/zinc/97/10/65/853971065.db2.gz NUVBCQNZNGSIMC-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208986117 853987753 /nfs/dbraw/zinc/98/77/53/853987753.db2.gz GWEHPUOJYOISND-INIZCTEOSA-N 2 1 356.511 0.802 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210033502 854072534 /nfs/dbraw/zinc/07/25/34/854072534.db2.gz QZCNFSBUVFKCHY-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210033502 854072535 /nfs/dbraw/zinc/07/25/35/854072535.db2.gz QZCNFSBUVFKCHY-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210033502 854072538 /nfs/dbraw/zinc/07/25/38/854072538.db2.gz QZCNFSBUVFKCHY-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210033502 854072541 /nfs/dbraw/zinc/07/25/41/854072541.db2.gz QZCNFSBUVFKCHY-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210411841 854107782 /nfs/dbraw/zinc/10/77/82/854107782.db2.gz KFOZCRNTSRZETH-HUUCEWRRSA-N 2 1 352.479 0.304 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427210 854108378 /nfs/dbraw/zinc/10/83/78/854108378.db2.gz RKVMJXDSFMTOJG-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427210 854108387 /nfs/dbraw/zinc/10/83/87/854108387.db2.gz RKVMJXDSFMTOJG-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514418 854115020 /nfs/dbraw/zinc/11/50/20/854115020.db2.gz SNIWSKHRDAJKOC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514418 854115025 /nfs/dbraw/zinc/11/50/25/854115025.db2.gz SNIWSKHRDAJKOC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514418 854115031 /nfs/dbraw/zinc/11/50/31/854115031.db2.gz SNIWSKHRDAJKOC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514418 854115036 /nfs/dbraw/zinc/11/50/36/854115036.db2.gz SNIWSKHRDAJKOC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001211038077 854148816 /nfs/dbraw/zinc/14/88/16/854148816.db2.gz CUABPVBSBKQTCP-HYVNUMGLSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001211038077 854148818 /nfs/dbraw/zinc/14/88/18/854148818.db2.gz CUABPVBSBKQTCP-HYVNUMGLSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001211039300 854148990 /nfs/dbraw/zinc/14/89/90/854148990.db2.gz REZGISMGIRGVRU-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001211039300 854148992 /nfs/dbraw/zinc/14/89/92/854148992.db2.gz REZGISMGIRGVRU-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094637 854157128 /nfs/dbraw/zinc/15/71/28/854157128.db2.gz JPWBACKEMNLMEN-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094637 854157131 /nfs/dbraw/zinc/15/71/31/854157131.db2.gz JPWBACKEMNLMEN-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309709 854176232 /nfs/dbraw/zinc/17/62/32/854176232.db2.gz LGXCMFZXZQPCHC-KFWWJZLASA-N 2 1 350.463 0.104 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350431 854179458 /nfs/dbraw/zinc/17/94/58/854179458.db2.gz TVTQBVMNAWMJIN-HZPDHXFCSA-N 2 1 359.536 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350431 854179463 /nfs/dbraw/zinc/17/94/63/854179463.db2.gz TVTQBVMNAWMJIN-HZPDHXFCSA-N 2 1 359.536 0.734 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408701 854466375 /nfs/dbraw/zinc/46/63/75/854466375.db2.gz YLWUKWZBJQPDMF-JHJVBQTASA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408701 854466379 /nfs/dbraw/zinc/46/63/79/854466379.db2.gz YLWUKWZBJQPDMF-JHJVBQTASA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436904 854477502 /nfs/dbraw/zinc/47/75/02/854477502.db2.gz PQFNOZWPCUBCFH-NFAWXSAZSA-N 2 1 351.438 0.670 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436904 854477507 /nfs/dbraw/zinc/47/75/07/854477507.db2.gz PQFNOZWPCUBCFH-NFAWXSAZSA-N 2 1 351.438 0.670 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436974 854478025 /nfs/dbraw/zinc/47/80/25/854478025.db2.gz UAWLKBJNOQOMQZ-ZACQAIPSSA-N 2 1 351.495 0.364 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436974 854478030 /nfs/dbraw/zinc/47/80/30/854478030.db2.gz UAWLKBJNOQOMQZ-ZACQAIPSSA-N 2 1 351.495 0.364 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348469 854584902 /nfs/dbraw/zinc/58/49/02/854584902.db2.gz MTALLAPASHNIPI-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378472 854594950 /nfs/dbraw/zinc/59/49/50/854594950.db2.gz SCGWNZYJXPYJHN-HZPDHXFCSA-N 2 1 352.483 0.216 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378174 854595011 /nfs/dbraw/zinc/59/50/11/854595011.db2.gz GFLLUYOCAQKKBE-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378174 854595014 /nfs/dbraw/zinc/59/50/14/854595014.db2.gz GFLLUYOCAQKKBE-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001213526308 854651520 /nfs/dbraw/zinc/65/15/20/854651520.db2.gz HFTKVIDYGFMMTP-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001213526308 854651526 /nfs/dbraw/zinc/65/15/26/854651526.db2.gz HFTKVIDYGFMMTP-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001213526308 854651535 /nfs/dbraw/zinc/65/15/35/854651535.db2.gz HFTKVIDYGFMMTP-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001213526308 854651544 /nfs/dbraw/zinc/65/15/44/854651544.db2.gz HFTKVIDYGFMMTP-IXDOHACOSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581111 854675483 /nfs/dbraw/zinc/67/54/83/854675483.db2.gz OZIJJOBNLXKCPI-IAGOWNOFSA-N 2 1 367.515 0.828 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581111 854675490 /nfs/dbraw/zinc/67/54/90/854675490.db2.gz OZIJJOBNLXKCPI-IAGOWNOFSA-N 2 1 367.515 0.828 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728919 854739320 /nfs/dbraw/zinc/73/93/20/854739320.db2.gz ZXRJCFOAUASQJL-HZPDHXFCSA-N 2 1 370.519 0.388 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728919 854739324 /nfs/dbraw/zinc/73/93/24/854739324.db2.gz ZXRJCFOAUASQJL-HZPDHXFCSA-N 2 1 370.519 0.388 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754344 854751381 /nfs/dbraw/zinc/75/13/81/854751381.db2.gz YTNDNZFMGDEFJH-ZIAGYGMSSA-N 2 1 351.438 0.815 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754344 854751390 /nfs/dbraw/zinc/75/13/90/854751390.db2.gz YTNDNZFMGDEFJH-ZIAGYGMSSA-N 2 1 351.438 0.815 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764855 854756764 /nfs/dbraw/zinc/75/67/64/854756764.db2.gz GVWMOFDJIQWJQW-BFHYXJOUSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764855 854756771 /nfs/dbraw/zinc/75/67/71/854756771.db2.gz GVWMOFDJIQWJQW-BFHYXJOUSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764855 854756773 /nfs/dbraw/zinc/75/67/73/854756773.db2.gz GVWMOFDJIQWJQW-BFHYXJOUSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764855 854756776 /nfs/dbraw/zinc/75/67/76/854756776.db2.gz GVWMOFDJIQWJQW-BFHYXJOUSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767177 854758380 /nfs/dbraw/zinc/75/83/80/854758380.db2.gz GVLFXKDREUXLRO-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767177 854758383 /nfs/dbraw/zinc/75/83/83/854758383.db2.gz GVLFXKDREUXLRO-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767177 854758387 /nfs/dbraw/zinc/75/83/87/854758387.db2.gz GVLFXKDREUXLRO-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767177 854758389 /nfs/dbraw/zinc/75/83/89/854758389.db2.gz GVLFXKDREUXLRO-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213769081 854760409 /nfs/dbraw/zinc/76/04/09/854760409.db2.gz HIMDTBSACUZQDW-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213769081 854760414 /nfs/dbraw/zinc/76/04/14/854760414.db2.gz HIMDTBSACUZQDW-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213769081 854760420 /nfs/dbraw/zinc/76/04/20/854760420.db2.gz HIMDTBSACUZQDW-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213860324 854795872 /nfs/dbraw/zinc/79/58/72/854795872.db2.gz ZKWHZUZDOKKIHH-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213860324 854795878 /nfs/dbraw/zinc/79/58/78/854795878.db2.gz ZKWHZUZDOKKIHH-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863271 854797788 /nfs/dbraw/zinc/79/77/88/854797788.db2.gz JCCXCGWUJPMFBL-GVDBMIGSSA-N 2 1 359.486 0.910 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930040 854830403 /nfs/dbraw/zinc/83/04/03/854830403.db2.gz WUCKJIVRYLSBLC-BRWVUGGUSA-N 2 1 359.511 0.176 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930040 854830405 /nfs/dbraw/zinc/83/04/05/854830405.db2.gz WUCKJIVRYLSBLC-BRWVUGGUSA-N 2 1 359.511 0.176 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930040 854830411 /nfs/dbraw/zinc/83/04/11/854830411.db2.gz WUCKJIVRYLSBLC-BRWVUGGUSA-N 2 1 359.511 0.176 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929708 854831550 /nfs/dbraw/zinc/83/15/50/854831550.db2.gz HYWFGGFBPWQUMP-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929708 854831553 /nfs/dbraw/zinc/83/15/53/854831553.db2.gz HYWFGGFBPWQUMP-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929708 854831554 /nfs/dbraw/zinc/83/15/54/854831554.db2.gz HYWFGGFBPWQUMP-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214662205 854988236 /nfs/dbraw/zinc/98/82/36/854988236.db2.gz YSYLXUHKXBPTRD-BZUAXINKSA-N 2 1 352.479 0.842 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001214665807 854989176 /nfs/dbraw/zinc/98/91/76/854989176.db2.gz KCSMFWXROYYCBU-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214779881 855011965 /nfs/dbraw/zinc/01/19/65/855011965.db2.gz BXKCNLBDXBGRNN-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214855802 855023579 /nfs/dbraw/zinc/02/35/79/855023579.db2.gz OCMYKIUCECWXMC-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214890342 855028783 /nfs/dbraw/zinc/02/87/83/855028783.db2.gz WKNCGKXQAWCAPV-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969695 855042212 /nfs/dbraw/zinc/04/22/12/855042212.db2.gz XAUUEGMRCWAVGY-OIISXLGYSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214969286 855042403 /nfs/dbraw/zinc/04/24/03/855042403.db2.gz NQDNWOIWEGQWTH-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001214997562 855049317 /nfs/dbraw/zinc/04/93/17/855049317.db2.gz JOUFEQANBKDOSI-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001215155995 855074149 /nfs/dbraw/zinc/07/41/49/855074149.db2.gz TUCRNWBAQMJPIY-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393080 855109107 /nfs/dbraw/zinc/10/91/07/855109107.db2.gz NPCYBVINWNVBDG-OAGGEKHMSA-N 2 1 354.495 0.058 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393080 855109110 /nfs/dbraw/zinc/10/91/10/855109110.db2.gz NPCYBVINWNVBDG-OAGGEKHMSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215539982 855126397 /nfs/dbraw/zinc/12/63/97/855126397.db2.gz FWRHEGGMUUHRKA-ARFHVFGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539886 855126668 /nfs/dbraw/zinc/12/66/68/855126668.db2.gz BNHFIZCUMJGLKO-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncs2)C1)[NH+]1CCCC1 ZINC001215599018 855131718 /nfs/dbraw/zinc/13/17/18/855131718.db2.gz NKUSLFABGKDSDJ-RBSFLKMASA-N 2 1 367.519 0.976 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215723586 855139623 /nfs/dbraw/zinc/13/96/23/855139623.db2.gz YACFTSALSPVMTK-ZIAGYGMSSA-N 2 1 356.492 0.488 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215765949 855143699 /nfs/dbraw/zinc/14/36/99/855143699.db2.gz DZQGJBMXBZKMNM-HUUCEWRRSA-N 2 1 370.519 0.878 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC001215993943 855163413 /nfs/dbraw/zinc/16/34/13/855163413.db2.gz IXEFJOLSIFPNKU-CHWSQXEVSA-N 2 1 358.437 0.822 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001216213787 855179685 /nfs/dbraw/zinc/17/96/85/855179685.db2.gz RDAGNQIRRLEGOM-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001216225125 855180693 /nfs/dbraw/zinc/18/06/93/855180693.db2.gz AETHMTLBVWBWFK-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216229322 855182119 /nfs/dbraw/zinc/18/21/19/855182119.db2.gz DVMHRPNTZTYVMZ-UKRRQHHQSA-N 2 1 351.447 0.927 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216511537 855209373 /nfs/dbraw/zinc/20/93/73/855209373.db2.gz SNRTWRHYJJWMAA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216511771 855209428 /nfs/dbraw/zinc/20/94/28/855209428.db2.gz ZNEDKJOMULAWIQ-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216852199 855260369 /nfs/dbraw/zinc/26/03/69/855260369.db2.gz RSFZJPYEEYZGRH-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnc([C@H](N)CN3CCC([NH3+])CC3)o2)C[C@H](C)O1 ZINC001217757395 855373032 /nfs/dbraw/zinc/37/30/32/855373032.db2.gz LHEZJASPSVGFHF-VNHYZAJKSA-N 2 1 352.483 0.144 20 0 FCADMP C[C@@H]1C[N@H+](CCc2nnc([C@H](N)CN3CCC([NH3+])CC3)o2)C[C@H](C)O1 ZINC001217757395 855373037 /nfs/dbraw/zinc/37/30/37/855373037.db2.gz LHEZJASPSVGFHF-VNHYZAJKSA-N 2 1 352.483 0.144 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001218072856 855395015 /nfs/dbraw/zinc/39/50/15/855395015.db2.gz XOYGYQSYGKUAKO-VIFPVBQESA-N 2 1 352.391 0.062 20 0 FCADMP CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc2F)CC1 ZINC001218890004 855491819 /nfs/dbraw/zinc/49/18/19/855491819.db2.gz ZCCPAJIIFCCYMI-HNNXBMFYSA-N 2 1 369.510 0.925 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218918676 855495814 /nfs/dbraw/zinc/49/58/14/855495814.db2.gz JCWIUMKVWVQDFJ-RRFJBIMHSA-N 2 1 361.433 0.664 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218918871 855495751 /nfs/dbraw/zinc/49/57/51/855495751.db2.gz JCWIUMKVWVQDFJ-ZNMIVQPWSA-N 2 1 361.433 0.664 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218918871 855495755 /nfs/dbraw/zinc/49/57/55/855495755.db2.gz JCWIUMKVWVQDFJ-ZNMIVQPWSA-N 2 1 361.433 0.664 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218918871 855495759 /nfs/dbraw/zinc/49/57/59/855495759.db2.gz JCWIUMKVWVQDFJ-ZNMIVQPWSA-N 2 1 361.433 0.664 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218918871 855495761 /nfs/dbraw/zinc/49/57/61/855495761.db2.gz JCWIUMKVWVQDFJ-ZNMIVQPWSA-N 2 1 361.433 0.664 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218918676 855495807 /nfs/dbraw/zinc/49/58/07/855495807.db2.gz JCWIUMKVWVQDFJ-RRFJBIMHSA-N 2 1 361.433 0.664 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218918676 855495810 /nfs/dbraw/zinc/49/58/10/855495810.db2.gz JCWIUMKVWVQDFJ-RRFJBIMHSA-N 2 1 361.433 0.664 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218918676 855495812 /nfs/dbraw/zinc/49/58/12/855495812.db2.gz JCWIUMKVWVQDFJ-RRFJBIMHSA-N 2 1 361.433 0.664 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC001218971317 855505398 /nfs/dbraw/zinc/50/53/98/855505398.db2.gz YBWHPDJNZKSDGV-JKSUJKDBSA-N 2 1 353.488 0.738 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC001218971317 855505399 /nfs/dbraw/zinc/50/53/99/855505399.db2.gz YBWHPDJNZKSDGV-JKSUJKDBSA-N 2 1 353.488 0.738 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)Nc1ccc(-n2cnc(Br)n2)cc1 ZINC001219252053 855602884 /nfs/dbraw/zinc/60/28/84/855602884.db2.gz PDUVADCQQWRMCF-UHFFFAOYSA-N 2 1 353.224 0.907 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219566302 855717644 /nfs/dbraw/zinc/71/76/44/855717644.db2.gz ZDEMNICWFNQDCK-UHFFFAOYSA-N 2 1 352.870 0.557 20 0 FCADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652213 855755971 /nfs/dbraw/zinc/75/59/71/855755971.db2.gz IQPSXBAYFZYIPF-SJORKVTESA-N 2 1 351.495 0.656 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219796911 855816770 /nfs/dbraw/zinc/81/67/70/855816770.db2.gz WVBVQRCNMQRVLG-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219796911 855816771 /nfs/dbraw/zinc/81/67/71/855816771.db2.gz WVBVQRCNMQRVLG-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219796911 855816773 /nfs/dbraw/zinc/81/67/73/855816773.db2.gz WVBVQRCNMQRVLG-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796858 855817705 /nfs/dbraw/zinc/81/77/05/855817705.db2.gz TZKFESNSIFKNJD-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796858 855817707 /nfs/dbraw/zinc/81/77/07/855817707.db2.gz TZKFESNSIFKNJD-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796858 855817709 /nfs/dbraw/zinc/81/77/09/855817709.db2.gz TZKFESNSIFKNJD-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796858 855817712 /nfs/dbraw/zinc/81/77/12/855817712.db2.gz TZKFESNSIFKNJD-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001219829855 855835001 /nfs/dbraw/zinc/83/50/01/855835001.db2.gz GPNWNPXVNBEKEZ-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219829855 855835006 /nfs/dbraw/zinc/83/50/06/855835006.db2.gz GPNWNPXVNBEKEZ-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219829855 855835009 /nfs/dbraw/zinc/83/50/09/855835009.db2.gz GPNWNPXVNBEKEZ-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219869035 855853837 /nfs/dbraw/zinc/85/38/37/855853837.db2.gz FINJDZAUPJMENI-ZACQAIPSSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219869035 855853843 /nfs/dbraw/zinc/85/38/43/855853843.db2.gz FINJDZAUPJMENI-ZACQAIPSSA-N 2 1 353.438 0.706 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CCCC1 ZINC001220077962 855949099 /nfs/dbraw/zinc/94/90/99/855949099.db2.gz CRWDXLVYDINURT-BBWFWOEESA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220344966 856076557 /nfs/dbraw/zinc/07/65/57/856076557.db2.gz MIBDKGKLTDZOOD-MCIONIFRSA-N 2 1 351.438 0.550 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220344966 856076565 /nfs/dbraw/zinc/07/65/65/856076565.db2.gz MIBDKGKLTDZOOD-MCIONIFRSA-N 2 1 351.438 0.550 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355316 856080810 /nfs/dbraw/zinc/08/08/10/856080810.db2.gz LUQSWAFMCKUNLZ-MJBXVCDLSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355316 856080816 /nfs/dbraw/zinc/08/08/16/856080816.db2.gz LUQSWAFMCKUNLZ-MJBXVCDLSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355316 856080826 /nfs/dbraw/zinc/08/08/26/856080826.db2.gz LUQSWAFMCKUNLZ-MJBXVCDLSA-N 2 1 367.412 0.459 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387938 856102108 /nfs/dbraw/zinc/10/21/08/856102108.db2.gz VRIWYWOMYNHIKT-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2O)cn1 ZINC001220517074 856163971 /nfs/dbraw/zinc/16/39/71/856163971.db2.gz UTMPKAZSJFSWSM-CVEARBPZSA-N 2 1 355.458 0.359 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220548052 856177850 /nfs/dbraw/zinc/17/78/50/856177850.db2.gz UPMPTRWAWFJEAL-BBWFWOEESA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220548052 856177858 /nfs/dbraw/zinc/17/78/58/856177858.db2.gz UPMPTRWAWFJEAL-BBWFWOEESA-N 2 1 350.463 0.702 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001220547698 856178201 /nfs/dbraw/zinc/17/82/01/856178201.db2.gz CIFYODOXOMMIMU-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001220547698 856178209 /nfs/dbraw/zinc/17/82/09/856178209.db2.gz CIFYODOXOMMIMU-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)C(C)C ZINC001220572702 856190275 /nfs/dbraw/zinc/19/02/75/856190275.db2.gz GXYCLPHCANMQHA-IJEWVQPXSA-N 2 1 365.465 0.796 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)C(C)C ZINC001220572702 856190277 /nfs/dbraw/zinc/19/02/77/856190277.db2.gz GXYCLPHCANMQHA-IJEWVQPXSA-N 2 1 365.465 0.796 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C(C)C ZINC001220575520 856191242 /nfs/dbraw/zinc/19/12/42/856191242.db2.gz VSBSUPPCXUMIHJ-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP [NH3+]C[C@H](NC(=O)c1nnn2c1C[NH2+]CC2)c1ccc(Br)cc1 ZINC001220617838 856207170 /nfs/dbraw/zinc/20/71/70/856207170.db2.gz WKFLCBARSRXPSE-NSHDSACASA-N 2 1 365.235 0.574 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638158 856215161 /nfs/dbraw/zinc/21/51/61/856215161.db2.gz UVCDFCKNHWEZPM-SJORKVTESA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689237 856243037 /nfs/dbraw/zinc/24/30/37/856243037.db2.gz AVQQDONSAONLKI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689237 856243044 /nfs/dbraw/zinc/24/30/44/856243044.db2.gz AVQQDONSAONLKI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689237 856243055 /nfs/dbraw/zinc/24/30/55/856243055.db2.gz AVQQDONSAONLKI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689237 856243064 /nfs/dbraw/zinc/24/30/64/856243064.db2.gz AVQQDONSAONLKI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001220716742 856260777 /nfs/dbraw/zinc/26/07/77/856260777.db2.gz QDIFCCCRPBNLKD-LVQVYYBASA-N 2 1 369.531 0.532 20 0 FCADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764263 856288134 /nfs/dbraw/zinc/28/81/34/856288134.db2.gz FCUOIDAQEHYSMY-XKQJLSEDSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764263 856288148 /nfs/dbraw/zinc/28/81/48/856288148.db2.gz FCUOIDAQEHYSMY-XKQJLSEDSA-N 2 1 353.438 0.626 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)s1 ZINC001220764436 856288170 /nfs/dbraw/zinc/28/81/70/856288170.db2.gz LATZYKFGPVKWGE-CVEARBPZSA-N 2 1 355.504 0.604 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@@H]1O ZINC001220768436 856288960 /nfs/dbraw/zinc/28/89/60/856288960.db2.gz LTYXMFOUONQJSP-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1O ZINC001220768436 856288968 /nfs/dbraw/zinc/28/89/68/856288968.db2.gz LTYXMFOUONQJSP-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220799288 856306390 /nfs/dbraw/zinc/30/63/90/856306390.db2.gz UXGMFEZTLNYPSJ-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220799288 856306402 /nfs/dbraw/zinc/30/64/02/856306402.db2.gz UXGMFEZTLNYPSJ-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976341 856403874 /nfs/dbraw/zinc/40/38/74/856403874.db2.gz VIBLFEKNSSYBMQ-XQQFMLRXSA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976341 856403879 /nfs/dbraw/zinc/40/38/79/856403879.db2.gz VIBLFEKNSSYBMQ-XQQFMLRXSA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976341 856403886 /nfs/dbraw/zinc/40/38/86/856403886.db2.gz VIBLFEKNSSYBMQ-XQQFMLRXSA-N 2 1 353.385 0.068 20 0 FCADMP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986021 856409164 /nfs/dbraw/zinc/40/91/64/856409164.db2.gz ORUQNNHSXZHVMC-UVOQLLHRSA-N 2 1 353.507 0.862 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221073238 856448924 /nfs/dbraw/zinc/44/89/24/856448924.db2.gz MCMTXUVXXGCGTF-MCIONIFRSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221073238 856448927 /nfs/dbraw/zinc/44/89/27/856448927.db2.gz MCMTXUVXXGCGTF-MCIONIFRSA-N 2 1 367.412 0.337 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221078998 856451335 /nfs/dbraw/zinc/45/13/35/856451335.db2.gz CDEGQFYPPMLXJF-CABCVRRESA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221078998 856451338 /nfs/dbraw/zinc/45/13/38/856451338.db2.gz CDEGQFYPPMLXJF-CABCVRRESA-N 2 1 352.504 0.989 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081409 856452635 /nfs/dbraw/zinc/45/26/35/856452635.db2.gz JXXOPCZXPGBRTD-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091130 856458153 /nfs/dbraw/zinc/45/81/53/856458153.db2.gz CVRJQMJZRLYHIP-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091130 856458155 /nfs/dbraw/zinc/45/81/55/856458155.db2.gz CVRJQMJZRLYHIP-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221244270 856527328 /nfs/dbraw/zinc/52/73/28/856527328.db2.gz UPNSLPKLOGDKHD-RLFYNMQTSA-N 3 1 353.511 0.034 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406589 856558911 /nfs/dbraw/zinc/55/89/11/856558911.db2.gz HDFNBNVUVDQVMH-PMPSAXMXSA-N 2 1 371.547 0.636 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H](C)C1 ZINC001221407681 856559111 /nfs/dbraw/zinc/55/91/11/856559111.db2.gz DUIPUIPJDIJATA-QLFBSQMISA-N 2 1 356.511 0.480 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001221585176 856613638 /nfs/dbraw/zinc/61/36/38/856613638.db2.gz WTFOPWKBIJKLCR-FVQBIDKESA-N 2 1 367.515 0.963 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001221585176 856613641 /nfs/dbraw/zinc/61/36/41/856613641.db2.gz WTFOPWKBIJKLCR-FVQBIDKESA-N 2 1 367.515 0.963 20 0 FCADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221711005 856660078 /nfs/dbraw/zinc/66/00/78/856660078.db2.gz UBRIYJOWKSYPPV-KZNAEPCWSA-N 2 1 351.491 0.402 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221772842 856676630 /nfs/dbraw/zinc/67/66/30/856676630.db2.gz PRDATNWUSMWCTR-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221772842 856676638 /nfs/dbraw/zinc/67/66/38/856676638.db2.gz PRDATNWUSMWCTR-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221776905 856678529 /nfs/dbraw/zinc/67/85/29/856678529.db2.gz JSPPEMKLDOMPHZ-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221776905 856678539 /nfs/dbraw/zinc/67/85/39/856678539.db2.gz JSPPEMKLDOMPHZ-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001221777199 856678753 /nfs/dbraw/zinc/67/87/53/856678753.db2.gz WYHBMYLEEBIZCE-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001221777199 856678759 /nfs/dbraw/zinc/67/87/59/856678759.db2.gz WYHBMYLEEBIZCE-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221774092 856679015 /nfs/dbraw/zinc/67/90/15/856679015.db2.gz SCRABQLBSADEDJ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817297 856696851 /nfs/dbraw/zinc/69/68/51/856696851.db2.gz OMOMJCXSFYMMPI-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817297 856696857 /nfs/dbraw/zinc/69/68/57/856696857.db2.gz OMOMJCXSFYMMPI-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817297 856696862 /nfs/dbraw/zinc/69/68/62/856696862.db2.gz OMOMJCXSFYMMPI-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817297 856696864 /nfs/dbraw/zinc/69/68/64/856696864.db2.gz OMOMJCXSFYMMPI-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895120 856725764 /nfs/dbraw/zinc/72/57/64/856725764.db2.gz WMOXSTWEGSVUNP-JFIYKMOQSA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001221918825 856732535 /nfs/dbraw/zinc/73/25/35/856732535.db2.gz WJCDCTOLEAYPLA-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221918825 856732539 /nfs/dbraw/zinc/73/25/39/856732539.db2.gz WJCDCTOLEAYPLA-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221918825 856732547 /nfs/dbraw/zinc/73/25/47/856732547.db2.gz WJCDCTOLEAYPLA-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950570 856746412 /nfs/dbraw/zinc/74/64/12/856746412.db2.gz NVFREWCYHXNKOP-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950570 856746415 /nfs/dbraw/zinc/74/64/15/856746415.db2.gz NVFREWCYHXNKOP-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950570 856746423 /nfs/dbraw/zinc/74/64/23/856746423.db2.gz NVFREWCYHXNKOP-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950570 856746429 /nfs/dbraw/zinc/74/64/29/856746429.db2.gz NVFREWCYHXNKOP-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001222789217 856873092 /nfs/dbraw/zinc/87/30/92/856873092.db2.gz HSSKTKXBLBYOOP-PMPSAXMXSA-N 2 1 356.486 0.677 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001222789217 856873100 /nfs/dbraw/zinc/87/31/00/856873100.db2.gz HSSKTKXBLBYOOP-PMPSAXMXSA-N 2 1 356.486 0.677 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891614 856880757 /nfs/dbraw/zinc/88/07/57/856880757.db2.gz GIRUNPGGTUZDFU-UWWQBHOKSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891614 856880764 /nfs/dbraw/zinc/88/07/64/856880764.db2.gz GIRUNPGGTUZDFU-UWWQBHOKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001222959156 856884778 /nfs/dbraw/zinc/88/47/78/856884778.db2.gz NTJALELUDMVBRY-OAGGEKHMSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001222959156 856884781 /nfs/dbraw/zinc/88/47/81/856884781.db2.gz NTJALELUDMVBRY-OAGGEKHMSA-N 2 1 359.536 0.684 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500397 856921012 /nfs/dbraw/zinc/92/10/12/856921012.db2.gz SAJQTKOIHOKIGK-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500397 856921017 /nfs/dbraw/zinc/92/10/17/856921017.db2.gz SAJQTKOIHOKIGK-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500397 856921028 /nfs/dbraw/zinc/92/10/28/856921028.db2.gz SAJQTKOIHOKIGK-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505488 856921889 /nfs/dbraw/zinc/92/18/89/856921889.db2.gz DZAQKVRUFJMJMX-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505488 856921892 /nfs/dbraw/zinc/92/18/92/856921892.db2.gz DZAQKVRUFJMJMX-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505488 856921899 /nfs/dbraw/zinc/92/18/99/856921899.db2.gz DZAQKVRUFJMJMX-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCCC3=O)[C@H]2C1 ZINC001223985266 856954607 /nfs/dbraw/zinc/95/46/07/856954607.db2.gz WQJPFPVCOYPDBO-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223985266 856954611 /nfs/dbraw/zinc/95/46/11/856954611.db2.gz WQJPFPVCOYPDBO-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223985266 856954614 /nfs/dbraw/zinc/95/46/14/856954614.db2.gz WQJPFPVCOYPDBO-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130128 856961497 /nfs/dbraw/zinc/96/14/97/856961497.db2.gz OGAVYECQYQWEAT-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129123 856961848 /nfs/dbraw/zinc/96/18/48/856961848.db2.gz DZAZJTSRHKCPOJ-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129123 856961853 /nfs/dbraw/zinc/96/18/53/856961853.db2.gz DZAZJTSRHKCPOJ-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224129123 856961858 /nfs/dbraw/zinc/96/18/58/856961858.db2.gz DZAZJTSRHKCPOJ-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224129123 856961866 /nfs/dbraw/zinc/96/18/66/856961866.db2.gz DZAZJTSRHKCPOJ-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224141084 856962362 /nfs/dbraw/zinc/96/23/62/856962362.db2.gz WYEXPCHCHGNBLY-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224141084 856962366 /nfs/dbraw/zinc/96/23/66/856962366.db2.gz WYEXPCHCHGNBLY-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001224245726 856973451 /nfs/dbraw/zinc/97/34/51/856973451.db2.gz ATYIJIZKOUAXCD-CVEARBPZSA-N 2 1 359.536 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001224245726 856973456 /nfs/dbraw/zinc/97/34/56/856973456.db2.gz ATYIJIZKOUAXCD-CVEARBPZSA-N 2 1 359.536 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001224245726 856973462 /nfs/dbraw/zinc/97/34/62/856973462.db2.gz ATYIJIZKOUAXCD-CVEARBPZSA-N 2 1 359.536 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001224245726 856973468 /nfs/dbraw/zinc/97/34/68/856973468.db2.gz ATYIJIZKOUAXCD-CVEARBPZSA-N 2 1 359.536 0.684 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001227150635 857146403 /nfs/dbraw/zinc/14/64/03/857146403.db2.gz WWBQFJAFOAGRHI-YNEHKIRRSA-N 2 1 355.483 0.317 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001228603118 857218225 /nfs/dbraw/zinc/21/82/25/857218225.db2.gz NQACFKFEQZUUJW-DJIMGWMZSA-N 2 1 350.507 0.871 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001229141338 857253318 /nfs/dbraw/zinc/25/33/18/857253318.db2.gz CIMRBSYCLXOZEH-HZPDHXFCSA-N 2 1 350.467 0.017 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4(C)COC4)CC3)[C@H]2C1 ZINC001279459211 862894429 /nfs/dbraw/zinc/89/44/29/862894429.db2.gz BNNLNGDHDSACCH-HOTGVXAUSA-N 2 1 350.507 0.097 20 0 FCADMP CON1CCC(NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC001230204964 857313994 /nfs/dbraw/zinc/31/39/94/857313994.db2.gz ISZPRQAQHLCUKZ-QGZVFWFLSA-N 2 1 353.511 0.822 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001279474378 862903372 /nfs/dbraw/zinc/90/33/72/862903372.db2.gz NCIPTWVWSBYYJI-MJGOQNOKSA-N 2 1 352.523 0.774 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234403622 857404268 /nfs/dbraw/zinc/40/42/68/857404268.db2.gz VRIMJOSJICGIJS-DJIMGWMZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234403622 857404273 /nfs/dbraw/zinc/40/42/73/857404273.db2.gz VRIMJOSJICGIJS-DJIMGWMZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234403622 857404278 /nfs/dbraw/zinc/40/42/78/857404278.db2.gz VRIMJOSJICGIJS-DJIMGWMZSA-N 2 1 354.495 0.012 20 0 FCADMP OC1CCN(c2nc(Cl)c(CN3CC[NH2+]C[C@]34CC[NH2+]C4)s2)CC1 ZINC001234986518 857416985 /nfs/dbraw/zinc/41/69/85/857416985.db2.gz KKLTVOTZQBCVCI-MRXNPFEDSA-N 2 1 371.938 0.895 20 0 FCADMP COC(=O)[C@@H]1CN(Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C[C@H]1[NH3+] ZINC001236350671 857441091 /nfs/dbraw/zinc/44/10/91/857441091.db2.gz JZWMZPRDXVKNJJ-GDBMZVCRSA-N 2 1 350.438 0.510 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239078559 857508499 /nfs/dbraw/zinc/50/84/99/857508499.db2.gz YUONGRNLNPKCMR-PMPSAXMXSA-N 2 1 355.508 0.345 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001239082514 857510619 /nfs/dbraw/zinc/51/06/19/857510619.db2.gz LPYDQBIOMIUDNH-UHFFFAOYSA-N 2 1 368.503 0.285 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001239082514 857510623 /nfs/dbraw/zinc/51/06/23/857510623.db2.gz LPYDQBIOMIUDNH-UHFFFAOYSA-N 2 1 368.503 0.285 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246019105 857564531 /nfs/dbraw/zinc/56/45/31/857564531.db2.gz JBKJNXJCVCXWDD-HRCADAONSA-N 3 1 358.433 0.029 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001246019063 857564860 /nfs/dbraw/zinc/56/48/60/857564860.db2.gz HGONNGNCXJEDFD-PKOBYXMFSA-N 2 1 352.475 0.791 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]1C2 ZINC001246044319 857565481 /nfs/dbraw/zinc/56/54/81/857565481.db2.gz GRMOGKALTYXFFD-MTVAPTMQSA-N 2 1 354.447 0.020 20 0 FCADMP O[C@@H](CCOCc1ccccc1)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246057005 857566878 /nfs/dbraw/zinc/56/68/78/857566878.db2.gz REJJYXVEMXKBHN-IBGZPJMESA-N 2 1 350.507 0.039 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@]34CCCO[C@@H]3CC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246144653 857569486 /nfs/dbraw/zinc/56/94/86/857569486.db2.gz KWWKUSDZGHHKNO-USWODUCQSA-N 3 1 351.491 0.807 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@H](C1)N2 ZINC001246244927 857571701 /nfs/dbraw/zinc/57/17/01/857571701.db2.gz DDTHMFZVBSOPRA-ZKLCHKPXSA-N 2 1 351.491 0.807 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCN(C4CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246369564 857576276 /nfs/dbraw/zinc/57/62/76/857576276.db2.gz GALDSOPEVVRZJZ-IZTSSTLKSA-N 2 1 350.507 0.475 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545295 857584663 /nfs/dbraw/zinc/58/46/63/857584663.db2.gz AVVRHCVETKNILV-HIFRSBDPSA-N 2 1 352.472 0.896 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693051 857590692 /nfs/dbraw/zinc/59/06/92/857590692.db2.gz JDGCLOPVPPJGFO-ZACQAIPSSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693051 857590701 /nfs/dbraw/zinc/59/07/01/857590701.db2.gz JDGCLOPVPPJGFO-ZACQAIPSSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709494 857592371 /nfs/dbraw/zinc/59/23/71/857592371.db2.gz OTROUFKSZUSRJV-DEORAPPZSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736797 857595763 /nfs/dbraw/zinc/59/57/63/857595763.db2.gz BLIFIHISFLFFCO-TZNCUMHOSA-N 2 1 351.491 0.570 20 0 FCADMP CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750343 857597439 /nfs/dbraw/zinc/59/74/39/857597439.db2.gz ULVOKBKNYGEWQD-QFBILLFUSA-N 2 1 350.507 0.430 20 0 FCADMP O=C(c1cscn1)N1CC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246772500 857599937 /nfs/dbraw/zinc/59/99/37/857599937.db2.gz AIUGIQKUTZPEHK-RBSFLKMASA-N 2 1 361.515 0.631 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279518437 862933746 /nfs/dbraw/zinc/93/37/46/862933746.db2.gz VKVYEKWAZGPTBV-YJBOKZPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001250950430 857670704 /nfs/dbraw/zinc/67/07/04/857670704.db2.gz QWULSFPNEVHGTM-UHFFFAOYSA-N 2 1 357.495 0.795 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001251589090 857733374 /nfs/dbraw/zinc/73/33/74/857733374.db2.gz RGEBHUCRCGCGEV-NEPJUHHUSA-N 2 1 373.391 0.407 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001251589090 857733376 /nfs/dbraw/zinc/73/33/76/857733376.db2.gz RGEBHUCRCGCGEV-NEPJUHHUSA-N 2 1 373.391 0.407 20 0 FCADMP COC(=O)[C@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001252436128 857807226 /nfs/dbraw/zinc/80/72/26/857807226.db2.gz NTDNAFFNVDLZDU-HZSPNIEDSA-N 2 1 357.451 0.051 20 0 FCADMP COC(=O)[C@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001252436128 857807235 /nfs/dbraw/zinc/80/72/35/857807235.db2.gz NTDNAFFNVDLZDU-HZSPNIEDSA-N 2 1 357.451 0.051 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253145773 857864523 /nfs/dbraw/zinc/86/45/23/857864523.db2.gz NOJHORYXLQJCAR-GOSISDBHSA-N 2 1 351.491 0.140 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253185369 857870237 /nfs/dbraw/zinc/87/02/37/857870237.db2.gz FZMAKLGQDRWKLT-TWMKSMIVSA-N 2 1 355.479 0.047 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253202095 857871663 /nfs/dbraw/zinc/87/16/63/857871663.db2.gz DHHZHXPQNOCQFL-MRXNPFEDSA-N 2 1 358.527 0.831 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H](O)C(C)(C)C)CC2)C1 ZINC001253723205 857908962 /nfs/dbraw/zinc/90/89/62/857908962.db2.gz DQPXYDYANZLBAB-INIZCTEOSA-N 2 1 355.523 0.896 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@H](O)C(C)(C)C)CC2)C1 ZINC001253723205 857908974 /nfs/dbraw/zinc/90/89/74/857908974.db2.gz DQPXYDYANZLBAB-INIZCTEOSA-N 2 1 355.523 0.896 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969350 858042488 /nfs/dbraw/zinc/04/24/88/858042488.db2.gz YOHYCJMNHHYZSX-WBVHZDCISA-N 2 1 352.523 0.975 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696659 858096706 /nfs/dbraw/zinc/09/67/06/858096706.db2.gz KSWAWGSDMCGMMN-GPANFISMSA-N 2 1 353.463 0.383 20 0 FCADMP CS(=O)(=O)N1CCC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001257230551 858128639 /nfs/dbraw/zinc/12/86/39/858128639.db2.gz WALBDUNZXREEGR-UHFFFAOYSA-N 2 1 352.504 0.841 20 0 FCADMP COCCCC[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001279727009 863028178 /nfs/dbraw/zinc/02/81/78/863028178.db2.gz PLFHBTSAHPNMOX-MLHJIOFPSA-N 2 1 353.507 0.837 20 0 FCADMP O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001261436741 858547894 /nfs/dbraw/zinc/54/78/94/858547894.db2.gz KERJZYWLCAXWMC-KRWDZBQOSA-N 2 1 368.499 0.283 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC001262064426 858769743 /nfs/dbraw/zinc/76/97/43/858769743.db2.gz ZVTFSSPTFMOQMF-YHUYYLMFSA-N 2 1 354.495 0.093 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC001262064424 858769886 /nfs/dbraw/zinc/76/98/86/858769886.db2.gz ZVTFSSPTFMOQMF-KLHDSHLOSA-N 2 1 354.495 0.093 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001262614825 859019247 /nfs/dbraw/zinc/01/92/47/859019247.db2.gz RGDOZOWPDQRLEG-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001262614825 859019257 /nfs/dbraw/zinc/01/92/57/859019257.db2.gz RGDOZOWPDQRLEG-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001262614825 859019266 /nfs/dbraw/zinc/01/92/66/859019266.db2.gz RGDOZOWPDQRLEG-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001269129901 859543869 /nfs/dbraw/zinc/54/38/69/859543869.db2.gz SULCXXZWMWRFBK-RBSFLKMASA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001269129901 859543875 /nfs/dbraw/zinc/54/38/75/859543875.db2.gz SULCXXZWMWRFBK-RBSFLKMASA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001269129901 859543882 /nfs/dbraw/zinc/54/38/82/859543882.db2.gz SULCXXZWMWRFBK-RBSFLKMASA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001269129901 859543888 /nfs/dbraw/zinc/54/38/88/859543888.db2.gz SULCXXZWMWRFBK-RBSFLKMASA-N 2 1 353.511 0.615 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001271138350 859903696 /nfs/dbraw/zinc/90/36/96/859903696.db2.gz DDNRIKMIDMPPOT-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657845 859987527 /nfs/dbraw/zinc/98/75/27/859987527.db2.gz DXRVQXGHVFGPNR-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822540 860272160 /nfs/dbraw/zinc/27/21/60/860272160.db2.gz YPJKKEYUKMJHSV-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)C1=O ZINC001273404090 860479735 /nfs/dbraw/zinc/47/97/35/860479735.db2.gz TXQQYINVERXCQC-HNAYVOBHSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C1(C)CC[NH+](C)CC1)CC2 ZINC001274401478 860743683 /nfs/dbraw/zinc/74/36/83/860743683.db2.gz QOTXYFJTXCIQJK-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001274908394 860869464 /nfs/dbraw/zinc/86/94/64/860869464.db2.gz LLFMRPYFIKSKRE-GJZGRUSLSA-N 2 1 364.515 0.941 20 0 FCADMP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001275171107 860977776 /nfs/dbraw/zinc/97/77/76/860977776.db2.gz DGQJQKNTCNWZSS-JYJNAYRXSA-N 2 1 363.531 0.873 20 0 FCADMP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001275171107 860977792 /nfs/dbraw/zinc/97/77/92/860977792.db2.gz DGQJQKNTCNWZSS-JYJNAYRXSA-N 2 1 363.531 0.873 20 0 FCADMP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001275171107 860977803 /nfs/dbraw/zinc/97/78/03/860977803.db2.gz DGQJQKNTCNWZSS-JYJNAYRXSA-N 2 1 363.531 0.873 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001275512384 861117337 /nfs/dbraw/zinc/11/73/37/861117337.db2.gz SKGHOBDOPNPZMK-BEFAXECRSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001275512384 861117349 /nfs/dbraw/zinc/11/73/49/861117349.db2.gz SKGHOBDOPNPZMK-BEFAXECRSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001275512387 861118085 /nfs/dbraw/zinc/11/80/85/861118085.db2.gz SKGHOBDOPNPZMK-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001275512387 861118097 /nfs/dbraw/zinc/11/80/97/861118097.db2.gz SKGHOBDOPNPZMK-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275555954 861127980 /nfs/dbraw/zinc/12/79/80/861127980.db2.gz FJLJTNRPOLOTGZ-IAGOWNOFSA-N 2 1 371.547 0.828 20 0 FCADMP O=C1N(CCN2CCOCC2)CC[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736825 861180708 /nfs/dbraw/zinc/18/07/08/861180708.db2.gz HNMJGLMICXIAOH-LJQANCHMSA-N 2 1 350.507 0.243 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737881 861181661 /nfs/dbraw/zinc/18/16/61/861181661.db2.gz QJJDPTMPAIYKMC-LJQANCHMSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)OC(=O)CN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738226 861181927 /nfs/dbraw/zinc/18/19/27/861181927.db2.gz WEZZFQDCWSYFCP-GOSISDBHSA-N 2 1 353.463 0.241 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914414 863134058 /nfs/dbraw/zinc/13/40/58/863134058.db2.gz QRLQLTRZKIEMIG-QFBILLFUSA-N 2 1 350.507 0.777 20 0 FCADMP COC(C)(C)C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CCN3CC4)[C@H]2C1 ZINC001280056630 863228055 /nfs/dbraw/zinc/22/80/55/863228055.db2.gz SNTBASMZVFZOON-IKGGRYGDSA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280056630 863228065 /nfs/dbraw/zinc/22/80/65/863228065.db2.gz SNTBASMZVFZOON-IKGGRYGDSA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280056630 863228071 /nfs/dbraw/zinc/22/80/71/863228071.db2.gz SNTBASMZVFZOON-IKGGRYGDSA-N 2 1 351.491 0.807 20 0 FCADMP CS(=O)(=O)CCNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280137902 863288091 /nfs/dbraw/zinc/28/80/91/863288091.db2.gz PFBQEEWLFRDTTK-MUJYYYPQSA-N 2 1 357.520 0.105 20 0 FCADMP O=C(NCC1COC1)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]2CCCO[C@H]21 ZINC001280137816 863289090 /nfs/dbraw/zinc/28/90/90/863289090.db2.gz NODPZYZBTVRMHX-FGTMMUONSA-N 2 1 351.491 0.476 20 0 FCADMP CN(C)C(=O)CN1CC2(C1)CCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280245501 863356862 /nfs/dbraw/zinc/35/68/62/863356862.db2.gz GPROMFFCAVAHIC-UHFFFAOYSA-N 2 1 351.539 0.110 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257408 863364375 /nfs/dbraw/zinc/36/43/75/863364375.db2.gz IBUZUCMGXSVFNC-NXOAAHMSSA-N 2 1 371.547 0.447 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257408 863364387 /nfs/dbraw/zinc/36/43/87/863364387.db2.gz IBUZUCMGXSVFNC-NXOAAHMSSA-N 2 1 371.547 0.447 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257408 863364400 /nfs/dbraw/zinc/36/44/00/863364400.db2.gz IBUZUCMGXSVFNC-NXOAAHMSSA-N 2 1 371.547 0.447 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257408 863364411 /nfs/dbraw/zinc/36/44/11/863364411.db2.gz IBUZUCMGXSVFNC-NXOAAHMSSA-N 2 1 371.547 0.447 20 0 FCADMP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290857782 865531716 /nfs/dbraw/zinc/53/17/16/865531716.db2.gz PEOFXWZACMXWOD-QGZVFWFLSA-N 2 1 350.511 0.964 20 0 FCADMP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304859999 866555870 /nfs/dbraw/zinc/55/58/70/866555870.db2.gz FWTHOFVBBJESPZ-NVXWUHKLSA-N 2 1 366.535 0.545 20 0 FCADMP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304859999 866555888 /nfs/dbraw/zinc/55/58/88/866555888.db2.gz FWTHOFVBBJESPZ-NVXWUHKLSA-N 2 1 366.535 0.545 20 0 FCADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803201 866694423 /nfs/dbraw/zinc/69/44/23/866694423.db2.gz KMQFCWARYJZERM-DLBZAZTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803201 866694434 /nfs/dbraw/zinc/69/44/34/866694434.db2.gz KMQFCWARYJZERM-DLBZAZTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803206 866694487 /nfs/dbraw/zinc/69/44/87/866694487.db2.gz KMQFCWARYJZERM-IRXDYDNUSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803206 866694496 /nfs/dbraw/zinc/69/44/96/866694496.db2.gz KMQFCWARYJZERM-IRXDYDNUSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351213626 866814429 /nfs/dbraw/zinc/81/44/29/866814429.db2.gz UFWJWNICCRAJCN-UAGQMJEPSA-N 2 1 353.511 0.173 20 0 FCADMP C/C(=C\C(=O)NCC[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC001351512857 866888792 /nfs/dbraw/zinc/88/87/92/866888792.db2.gz OVMAWEKUBZUEBZ-IGPFEKLESA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001351512857 866888796 /nfs/dbraw/zinc/88/87/96/866888796.db2.gz OVMAWEKUBZUEBZ-IGPFEKLESA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001351512857 866888803 /nfs/dbraw/zinc/88/88/03/866888803.db2.gz OVMAWEKUBZUEBZ-IGPFEKLESA-N 2 1 350.507 0.849 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001316628832 867366958 /nfs/dbraw/zinc/36/69/58/867366958.db2.gz COOCIKCFBWMXQG-KLHDSHLOSA-N 2 1 352.523 0.973 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001317077663 867518785 /nfs/dbraw/zinc/51/87/85/867518785.db2.gz DOCIUNDEXADXFM-SYLRKERUSA-N 2 1 364.412 0.630 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCCN1CC[NH+](C)CC1 ZINC001354317326 867580914 /nfs/dbraw/zinc/58/09/14/867580914.db2.gz WWAXSOLWFBDVTC-MRXNPFEDSA-N 2 1 350.515 0.231 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCC[NH+]1CCN(C)CC1 ZINC001354317326 867580928 /nfs/dbraw/zinc/58/09/28/867580928.db2.gz WWAXSOLWFBDVTC-MRXNPFEDSA-N 2 1 350.515 0.231 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCC[NH+]1CCN(C)CC1 ZINC001354317326 867580940 /nfs/dbraw/zinc/58/09/40/867580940.db2.gz WWAXSOLWFBDVTC-MRXNPFEDSA-N 2 1 350.515 0.231 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC001325829470 870050381 /nfs/dbraw/zinc/05/03/81/870050381.db2.gz BBDZVEXWIKVCJR-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1(C)C ZINC001326356916 870271586 /nfs/dbraw/zinc/27/15/86/870271586.db2.gz OVHIBVZAGVVKOJ-RDTXWAMCSA-N 2 1 354.495 0.188 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001343243708 870317636 /nfs/dbraw/zinc/31/76/36/870317636.db2.gz SNCPBUYNJORUKD-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001343443586 870430786 /nfs/dbraw/zinc/43/07/86/870430786.db2.gz AJKZGMOYHICKJY-GJZGRUSLSA-N 2 1 351.520 0.056 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001326984097 870602767 /nfs/dbraw/zinc/60/27/67/870602767.db2.gz IMDISMGQMWROKX-UHFFFAOYSA-N 2 1 351.495 0.515 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087948 870662010 /nfs/dbraw/zinc/66/20/10/870662010.db2.gz USPPUMVLNYMISI-WBVHZDCISA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087948 870662017 /nfs/dbraw/zinc/66/20/17/870662017.db2.gz USPPUMVLNYMISI-WBVHZDCISA-N 2 1 350.507 0.907 20 0 FCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091757 870665541 /nfs/dbraw/zinc/66/55/41/870665541.db2.gz GUNCNDVNOTXCPL-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091757 870665547 /nfs/dbraw/zinc/66/55/47/870665547.db2.gz GUNCNDVNOTXCPL-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C/C(=C/C(=O)NC[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001345921575 871561943 /nfs/dbraw/zinc/56/19/43/871561943.db2.gz PVFPEWCPYVSLRP-IYLRHEGRSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001345921575 871561960 /nfs/dbraw/zinc/56/19/60/871561960.db2.gz PVFPEWCPYVSLRP-IYLRHEGRSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001345921575 871561981 /nfs/dbraw/zinc/56/19/81/871561981.db2.gz PVFPEWCPYVSLRP-IYLRHEGRSA-N 2 1 350.507 0.849 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328846843 871663046 /nfs/dbraw/zinc/66/30/46/871663046.db2.gz VSSWOARTYBUQSC-OKZBNKHCSA-N 2 1 352.523 0.759 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](CO)[C@H](O)C3)CC2)CC1 ZINC001329065599 871806233 /nfs/dbraw/zinc/80/62/33/871806233.db2.gz FKGRIHMIRYEKMK-FUHWJXTLSA-N 2 1 353.507 0.384 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1)[C@H]1CCC[NH2+]1 ZINC001329491944 872066040 /nfs/dbraw/zinc/06/60/40/872066040.db2.gz YPKBTKKLVAKAMN-HZPDHXFCSA-N 2 1 357.520 0.391 20 0 FCADMP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1C[N@@H+](C)CCN1C ZINC001347186437 872209173 /nfs/dbraw/zinc/20/91/73/872209173.db2.gz NEAKXFPMBNEYFG-GVDBMIGSSA-N 2 1 355.527 0.373 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001347555030 872389375 /nfs/dbraw/zinc/38/93/75/872389375.db2.gz YFHDFZLCABULKL-CQSZACIVSA-N 2 1 350.463 0.872 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001348484418 872710642 /nfs/dbraw/zinc/71/06/42/872710642.db2.gz YDOZYTICNJNECN-IRXDYDNUSA-N 2 1 356.511 0.848 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574652 873563210 /nfs/dbraw/zinc/56/32/10/873563210.db2.gz WYIWEPVZGWFKSX-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001332967771 873740080 /nfs/dbraw/zinc/74/00/80/873740080.db2.gz YYEDJCAFENNTQS-MRXNPFEDSA-N 2 1 351.499 0.704 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001332967771 873740093 /nfs/dbraw/zinc/74/00/93/873740093.db2.gz YYEDJCAFENNTQS-MRXNPFEDSA-N 2 1 351.499 0.704 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001333360621 873923025 /nfs/dbraw/zinc/92/30/25/873923025.db2.gz LJUAPVKGTHRMMS-GJZGRUSLSA-N 2 1 352.479 0.086 20 0 FCADMP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476601 948383813 /nfs/dbraw/zinc/38/38/13/948383813.db2.gz LBZFMVXPDTZUDF-IIAWOOMASA-N 2 1 353.430 0.513 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263817 949408265 /nfs/dbraw/zinc/40/82/65/949408265.db2.gz JWBLHQLZJUAFQF-UKRRQHHQSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712703 949584880 /nfs/dbraw/zinc/58/48/80/949584880.db2.gz TUDWRLPIGYFRHR-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712703 949584905 /nfs/dbraw/zinc/58/49/05/949584905.db2.gz TUDWRLPIGYFRHR-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957341 949609052 /nfs/dbraw/zinc/60/90/52/949609052.db2.gz VOFSTPKBJHUOIU-DMDPSCGWSA-N 2 1 363.491 0.863 20 0 FCADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575876233 949642018 /nfs/dbraw/zinc/64/20/18/949642018.db2.gz JMYPESADUONNSS-JSGCOSHPSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964071 949765726 /nfs/dbraw/zinc/76/57/26/949765726.db2.gz PINXMJQXXUFUBF-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718456 949783586 /nfs/dbraw/zinc/78/35/86/949783586.db2.gz XKPXPRNLWIDSQN-ZIAGYGMSSA-N 2 1 372.477 0.817 20 0 FCADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576191017 950179417 /nfs/dbraw/zinc/17/94/17/950179417.db2.gz CKAAUOKGFGTXDS-STQMWFEESA-N 2 1 358.450 0.284 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974260 950402725 /nfs/dbraw/zinc/40/27/25/950402725.db2.gz LOOPZZOJRRXYOO-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974260 950402746 /nfs/dbraw/zinc/40/27/46/950402746.db2.gz LOOPZZOJRRXYOO-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974260 950402759 /nfs/dbraw/zinc/40/27/59/950402759.db2.gz LOOPZZOJRRXYOO-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576202533 950428751 /nfs/dbraw/zinc/42/87/51/950428751.db2.gz ANAIIUXOPHLTIG-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204761 950472712 /nfs/dbraw/zinc/47/27/12/950472712.db2.gz BYUAGJIQCVEQQX-BBRMVZONSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204983 950486304 /nfs/dbraw/zinc/48/63/04/950486304.db2.gz FCKJVCWMTCPNBB-RYUDHWBXSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208675 950617012 /nfs/dbraw/zinc/61/70/12/950617012.db2.gz RZBMWIZJKIRRSS-VXGBXAGGSA-N 2 1 363.491 0.864 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026037 951466128 /nfs/dbraw/zinc/46/61/28/951466128.db2.gz QNRCWFODEJPYTB-OAHLLOKOSA-N 2 1 366.429 0.762 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575093013 951796530 /nfs/dbraw/zinc/79/65/30/951796530.db2.gz GURZKTMQIZMBTR-BBRMVZONSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107043 951911175 /nfs/dbraw/zinc/91/11/75/951911175.db2.gz XXQCEQHLGYLUNM-BBRMVZONSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077443 952119495 /nfs/dbraw/zinc/11/94/95/952119495.db2.gz AREKEDATLAXLBR-KGLIPLIRSA-N 2 1 370.461 0.428 20 0 FCADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077548 952121077 /nfs/dbraw/zinc/12/10/77/952121077.db2.gz CVVDMAJAKMIJKA-CZUORRHYSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078148 952126306 /nfs/dbraw/zinc/12/63/06/952126306.db2.gz MFRPGXLMCGKHQW-ZENOOKHLSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078688 952132721 /nfs/dbraw/zinc/13/27/21/952132721.db2.gz SGOKKQZKWRFCJO-MCIONIFRSA-N 2 1 370.461 0.250 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297503423 214404690 /nfs/dbraw/zinc/40/46/90/214404690.db2.gz MQPHSFXWQQFZNV-KRWDZBQOSA-N 2 1 370.457 0.782 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000410956084 529697049 /nfs/dbraw/zinc/69/70/49/529697049.db2.gz VURIPDWWZFAIFS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000410956084 529697050 /nfs/dbraw/zinc/69/70/50/529697050.db2.gz VURIPDWWZFAIFS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410431416 529861398 /nfs/dbraw/zinc/86/13/98/529861398.db2.gz HEMZLIWMDDSYSH-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719230 530064768 /nfs/dbraw/zinc/06/47/68/530064768.db2.gz NPMHWBUTSIHGQI-XLIONFOSSA-N 2 1 362.518 0.875 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)C2)CC1 ZINC000410575377 530050907 /nfs/dbraw/zinc/05/09/07/530050907.db2.gz TTZKPNGNSHONCV-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752922 674055732 /nfs/dbraw/zinc/05/57/32/674055732.db2.gz XPRFHLTWCRMHOG-OALUTQOASA-N 2 1 355.523 0.381 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1C ZINC000331473056 215002372 /nfs/dbraw/zinc/00/23/72/215002372.db2.gz WIVHBSNYLSZLSY-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1C ZINC000331473056 215002374 /nfs/dbraw/zinc/00/23/74/215002374.db2.gz WIVHBSNYLSZLSY-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331502410 215006383 /nfs/dbraw/zinc/00/63/83/215006383.db2.gz QZZVBPDJKZDSDB-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)C1 ZINC000331594796 215019692 /nfs/dbraw/zinc/01/96/92/215019692.db2.gz OFQUNMGFHHJQNT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)C1 ZINC000331594796 215019694 /nfs/dbraw/zinc/01/96/94/215019694.db2.gz OFQUNMGFHHJQNT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)C1 ZINC000331594796 215019698 /nfs/dbraw/zinc/01/96/98/215019698.db2.gz OFQUNMGFHHJQNT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)C1 ZINC000331594796 215019700 /nfs/dbraw/zinc/01/97/00/215019700.db2.gz OFQUNMGFHHJQNT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000331590624 215019785 /nfs/dbraw/zinc/01/97/85/215019785.db2.gz YGWYELDJCOSBNB-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331590624 215019787 /nfs/dbraw/zinc/01/97/87/215019787.db2.gz YGWYELDJCOSBNB-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331590624 215019790 /nfs/dbraw/zinc/01/97/90/215019790.db2.gz YGWYELDJCOSBNB-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000331620141 215024064 /nfs/dbraw/zinc/02/40/64/215024064.db2.gz FFAFUEIXICXYAN-BRWVUGGUSA-N 2 1 350.507 0.953 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CCCCC1 ZINC000331711144 215038250 /nfs/dbraw/zinc/03/82/50/215038250.db2.gz KUYXLYZIBAOEPO-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000331945270 215070901 /nfs/dbraw/zinc/07/09/01/215070901.db2.gz HBHBBBKVRLLBQD-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000332134073 215099344 /nfs/dbraw/zinc/09/93/44/215099344.db2.gz ITLQRZOZVXLFNJ-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000332134073 215099349 /nfs/dbraw/zinc/09/93/49/215099349.db2.gz ITLQRZOZVXLFNJ-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000332134073 215099351 /nfs/dbraw/zinc/09/93/51/215099351.db2.gz ITLQRZOZVXLFNJ-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332133197 215099948 /nfs/dbraw/zinc/09/99/48/215099948.db2.gz IPVQGKPYBSLCIB-ZGRYLRDCSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)CC2)c1 ZINC000332167331 215104636 /nfs/dbraw/zinc/10/46/36/215104636.db2.gz VBJXJLULHNRIDV-HOTGVXAUSA-N 2 1 359.474 0.447 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332212394 215111387 /nfs/dbraw/zinc/11/13/87/215111387.db2.gz KAERKAKMJRQTPN-JYJNAYRXSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000332345564 215133720 /nfs/dbraw/zinc/13/37/20/215133720.db2.gz YCGXRHPOCYIJQK-LEUOFYLZSA-N 2 1 358.486 0.881 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332384826 215140419 /nfs/dbraw/zinc/14/04/19/215140419.db2.gz IJRAFBSPWSJOPQ-IKGGRYGDSA-N 2 1 366.506 0.140 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332384826 215140423 /nfs/dbraw/zinc/14/04/23/215140423.db2.gz IJRAFBSPWSJOPQ-IKGGRYGDSA-N 2 1 366.506 0.140 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332460393 215154915 /nfs/dbraw/zinc/15/49/15/215154915.db2.gz HPKOKXUHIJDLEJ-OTBWCIGPSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332507651 215163009 /nfs/dbraw/zinc/16/30/09/215163009.db2.gz TWRYVEVLHUJRQA-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CN1CCN(C)CC1)NC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000332816459 215212526 /nfs/dbraw/zinc/21/25/26/215212526.db2.gz GXDWOZQLYSLIEV-ZACQAIPSSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214701 215250731 /nfs/dbraw/zinc/25/07/31/215250731.db2.gz CGMQWCLJQRTPNJ-VNHYZAJKSA-N 2 1 353.467 0.489 20 0 FCADMP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333488937 215288694 /nfs/dbraw/zinc/28/86/94/215288694.db2.gz DARRXEFGHNVAMY-OWCVQMPJSA-N 2 1 365.522 0.365 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000333488882 215289076 /nfs/dbraw/zinc/28/90/76/215289076.db2.gz IPLQECFJTHXMNG-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333456184 215284413 /nfs/dbraw/zinc/28/44/13/215284413.db2.gz YGPOCUMHCZZDQJ-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627433 215303225 /nfs/dbraw/zinc/30/32/25/215303225.db2.gz FZUDFYAIPYCPRO-OKZBNKHCSA-N 2 1 367.538 0.563 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333641268 215303400 /nfs/dbraw/zinc/30/34/00/215303400.db2.gz IHQFHZVXXRNXDA-KBPBESRZSA-N 2 1 363.428 0.702 20 0 FCADMP C[C@@]1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[NH2+]C1 ZINC000333676325 215308024 /nfs/dbraw/zinc/30/80/24/215308024.db2.gz ZABMHLMWERRSQJ-QGZVFWFLSA-N 2 1 354.495 0.557 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000333761607 215316185 /nfs/dbraw/zinc/31/61/85/215316185.db2.gz ANRVKPSZBQRWRH-HOTGVXAUSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000333804086 215320248 /nfs/dbraw/zinc/32/02/48/215320248.db2.gz ONODIXNDROQBBC-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333837825 215322506 /nfs/dbraw/zinc/32/25/06/215322506.db2.gz KPGIYHDSWRWVBZ-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333837825 215322509 /nfs/dbraw/zinc/32/25/09/215322509.db2.gz KPGIYHDSWRWVBZ-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852293 215324940 /nfs/dbraw/zinc/32/49/40/215324940.db2.gz QFXNNXZKYKCQCE-SQNIBIBYSA-N 2 1 367.538 0.563 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832982 215323035 /nfs/dbraw/zinc/32/30/35/215323035.db2.gz MUNGXRQFCXCDOE-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C(=O)N1CCCCC1 ZINC000333874437 215327104 /nfs/dbraw/zinc/32/71/04/215327104.db2.gz SOICIPSCGWMJKA-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333938625 215332867 /nfs/dbraw/zinc/33/28/67/215332867.db2.gz MPOYLFOAERPGGD-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000334076097 215341298 /nfs/dbraw/zinc/34/12/98/215341298.db2.gz UVUIWKWQDDZHFB-HOTGVXAUSA-N 2 1 353.511 0.711 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334105023 215343963 /nfs/dbraw/zinc/34/39/63/215343963.db2.gz XVVVHMRFDKUQRQ-ALOPSCKCSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000334117802 215345571 /nfs/dbraw/zinc/34/55/71/215345571.db2.gz IQVAZELIBRUGJA-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000334117801 215345780 /nfs/dbraw/zinc/34/57/80/215345780.db2.gz IQVAZELIBRUGJA-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)C[C@@H]21 ZINC000334122966 215346241 /nfs/dbraw/zinc/34/62/41/215346241.db2.gz MUTUGMHJPXQHKC-SJORKVTESA-N 2 1 365.522 0.129 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000285548154 213356717 /nfs/dbraw/zinc/35/67/17/213356717.db2.gz IIHPYPXNSPFKLN-CQSZACIVSA-N 2 1 359.474 0.897 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000285204387 213302163 /nfs/dbraw/zinc/30/21/63/213302163.db2.gz WSEJXIMYKMHBBF-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000285204387 213302166 /nfs/dbraw/zinc/30/21/66/213302166.db2.gz WSEJXIMYKMHBBF-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000285204387 213302169 /nfs/dbraw/zinc/30/21/69/213302169.db2.gz WSEJXIMYKMHBBF-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000284625885 213183512 /nfs/dbraw/zinc/18/35/12/213183512.db2.gz YRWBBLYWQOJOQP-HZPDHXFCSA-N 2 1 362.474 0.943 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000284615092 213181178 /nfs/dbraw/zinc/18/11/78/213181178.db2.gz ZHQNKKAFXUDHMH-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000284615092 213181181 /nfs/dbraw/zinc/18/11/81/213181181.db2.gz ZHQNKKAFXUDHMH-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000284615092 213181182 /nfs/dbraw/zinc/18/11/82/213181182.db2.gz ZHQNKKAFXUDHMH-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccco1 ZINC000284499433 213152920 /nfs/dbraw/zinc/15/29/20/213152920.db2.gz SBMODHLVUXOYCS-ARFHVFGLSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccco1 ZINC000284499433 213152921 /nfs/dbraw/zinc/15/29/21/213152921.db2.gz SBMODHLVUXOYCS-ARFHVFGLSA-N 2 1 362.474 0.941 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000284466021 213147234 /nfs/dbraw/zinc/14/72/34/213147234.db2.gz GJYJYFSALUJBEZ-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000284466021 213147238 /nfs/dbraw/zinc/14/72/38/213147238.db2.gz GJYJYFSALUJBEZ-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466021 213147240 /nfs/dbraw/zinc/14/72/40/213147240.db2.gz GJYJYFSALUJBEZ-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466021 213147244 /nfs/dbraw/zinc/14/72/44/213147244.db2.gz GJYJYFSALUJBEZ-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000284437122 213138577 /nfs/dbraw/zinc/13/85/77/213138577.db2.gz PAFLQGXKBWXFBS-INIZCTEOSA-N 2 1 362.474 0.989 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284446567 213142327 /nfs/dbraw/zinc/14/23/27/213142327.db2.gz PNZHPDQHRGHYJX-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284446567 213142329 /nfs/dbraw/zinc/14/23/29/213142329.db2.gz PNZHPDQHRGHYJX-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP O=C(NCCn1ccnc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000283908685 213032686 /nfs/dbraw/zinc/03/26/86/213032686.db2.gz LEHRCVYXTBFXFZ-QGZVFWFLSA-N 2 1 355.442 0.780 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283867491 213022810 /nfs/dbraw/zinc/02/28/10/213022810.db2.gz BUCIDLICSOLBNP-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000283839169 213016403 /nfs/dbraw/zinc/01/64/03/213016403.db2.gz ARBFSDJHCYTNDY-INIZCTEOSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000283839169 213016405 /nfs/dbraw/zinc/01/64/05/213016405.db2.gz ARBFSDJHCYTNDY-INIZCTEOSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283839169 213016408 /nfs/dbraw/zinc/01/64/08/213016408.db2.gz ARBFSDJHCYTNDY-INIZCTEOSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000283839169 213016409 /nfs/dbraw/zinc/01/64/09/213016409.db2.gz ARBFSDJHCYTNDY-INIZCTEOSA-N 2 1 370.497 0.761 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000413365762 237321944 /nfs/dbraw/zinc/32/19/44/237321944.db2.gz VBKLBGUDXIPKIU-HNNXBMFYSA-N 2 1 358.527 0.951 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871672 216045325 /nfs/dbraw/zinc/04/53/25/216045325.db2.gz VBSSEVKQSXJLFO-OAHLLOKOSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030319 216065740 /nfs/dbraw/zinc/06/57/40/216065740.db2.gz PYLPXXVQDJZHCM-JKSUJKDBSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174224 216086093 /nfs/dbraw/zinc/08/60/93/216086093.db2.gz PJPUNHBNQPYIFM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)NCC(C)(C)N1CCOCC1 ZINC000367598908 216140711 /nfs/dbraw/zinc/14/07/11/216140711.db2.gz AQUTYDVZWAPCDG-BBZRVKOSSA-N 2 1 351.491 0.569 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246473598 209391056 /nfs/dbraw/zinc/39/10/56/209391056.db2.gz QWYCHFSYJIXPNG-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237910906 209360649 /nfs/dbraw/zinc/36/06/49/209360649.db2.gz MVKHTFALXUXOGF-MSOLQXFVSA-N 2 1 374.485 0.201 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237910906 209360652 /nfs/dbraw/zinc/36/06/52/209360652.db2.gz MVKHTFALXUXOGF-MSOLQXFVSA-N 2 1 374.485 0.201 20 0 FCADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000237895173 209359697 /nfs/dbraw/zinc/35/96/97/209359697.db2.gz WOWAHTCWXUICCB-SFHVURJKSA-N 2 1 374.485 0.216 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236794835 209344020 /nfs/dbraw/zinc/34/40/20/209344020.db2.gz LRCJOAXJZLUYBD-HNNXBMFYSA-N 2 1 350.467 0.289 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368705334 216285268 /nfs/dbraw/zinc/28/52/68/216285268.db2.gz ZRRATLFROAKYNH-OWCLPIDISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368705334 216285272 /nfs/dbraw/zinc/28/52/72/216285272.db2.gz ZRRATLFROAKYNH-OWCLPIDISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368705334 216285275 /nfs/dbraw/zinc/28/52/75/216285275.db2.gz ZRRATLFROAKYNH-OWCLPIDISA-N 2 1 354.495 0.336 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1CCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327072 /nfs/dbraw/zinc/32/70/72/216327072.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[NH+]1CCCC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327078 /nfs/dbraw/zinc/32/70/78/216327078.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[NH+]1CCCC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327083 /nfs/dbraw/zinc/32/70/83/216327083.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 2 1 362.518 0.938 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048124 216339699 /nfs/dbraw/zinc/33/96/99/216339699.db2.gz SJSDQJMKIVYZHP-KSZLIROESA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048124 216339702 /nfs/dbraw/zinc/33/97/02/216339702.db2.gz SJSDQJMKIVYZHP-KSZLIROESA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048124 216339704 /nfs/dbraw/zinc/33/97/04/216339704.db2.gz SJSDQJMKIVYZHP-KSZLIROESA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000369390639 216394909 /nfs/dbraw/zinc/39/49/09/216394909.db2.gz CIVVOWOEHWXTTD-KSZLIROESA-N 2 1 352.523 0.770 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000369390639 216394911 /nfs/dbraw/zinc/39/49/11/216394911.db2.gz CIVVOWOEHWXTTD-KSZLIROESA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189303779 209249208 /nfs/dbraw/zinc/24/92/08/209249208.db2.gz MQOYCELAUWBYJC-CMKODMSKSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189303779 209249211 /nfs/dbraw/zinc/24/92/11/209249211.db2.gz MQOYCELAUWBYJC-CMKODMSKSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188748903 209239366 /nfs/dbraw/zinc/23/93/66/209239366.db2.gz JWQPIZADFOBVEI-GASCZTMLSA-N 2 1 360.506 0.686 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188308818 209229161 /nfs/dbraw/zinc/22/91/61/209229161.db2.gz XTXPXKMVTNKRAY-HNAYVOBHSA-N 2 1 362.474 0.789 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000187350445 209210844 /nfs/dbraw/zinc/21/08/44/209210844.db2.gz LPUDYGVDLCRGOM-UHFFFAOYSA-N 2 1 364.494 0.676 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000187350445 209210846 /nfs/dbraw/zinc/21/08/46/209210846.db2.gz LPUDYGVDLCRGOM-UHFFFAOYSA-N 2 1 364.494 0.676 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000186638855 209193223 /nfs/dbraw/zinc/19/32/23/209193223.db2.gz IMLFLKRRGBGXHE-WMZOPIPTSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000187192255 209205285 /nfs/dbraw/zinc/20/52/85/209205285.db2.gz PHQDTGHRFOKRDM-IAGOWNOFSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000187192255 209205286 /nfs/dbraw/zinc/20/52/86/209205286.db2.gz PHQDTGHRFOKRDM-IAGOWNOFSA-N 2 1 370.538 0.830 20 0 FCADMP O=C(CN1CCC(Cn2cncn2)CC1)N1CCN(Cc2ccco2)CC1 ZINC000186240917 209189393 /nfs/dbraw/zinc/18/93/93/209189393.db2.gz PLODMRQOSZTIIC-UHFFFAOYSA-N 2 1 372.473 0.928 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C)nc1 ZINC000276084270 212156108 /nfs/dbraw/zinc/15/61/08/212156108.db2.gz USIMHNMDEUSRNJ-INIZCTEOSA-N 2 1 362.478 0.598 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1C ZINC000275888046 212112132 /nfs/dbraw/zinc/11/21/32/212112132.db2.gz INAADMGYLKANOQ-UHFFFAOYSA-N 2 1 372.473 0.845 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000185600169 209180426 /nfs/dbraw/zinc/18/04/26/209180426.db2.gz IXZCZORZYSOEBQ-UHFFFAOYSA-N 2 1 350.463 0.426 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000185689289 209179512 /nfs/dbraw/zinc/17/95/12/209179512.db2.gz WDDLAWOZKICYKG-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000185689289 209179514 /nfs/dbraw/zinc/17/95/14/209179514.db2.gz WDDLAWOZKICYKG-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275436656 212027766 /nfs/dbraw/zinc/02/77/66/212027766.db2.gz JRRVFJYWHSCUNO-INIZCTEOSA-N 2 1 362.474 0.566 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000414713098 245315899 /nfs/dbraw/zinc/31/58/99/245315899.db2.gz VQXIJZLQHDPXQU-AWEZNQCLSA-N 2 1 360.458 0.955 20 0 FCADMP CN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000415135552 245349222 /nfs/dbraw/zinc/34/92/22/245349222.db2.gz GDEMBLPBQPCHBG-UHFFFAOYSA-N 2 1 369.491 0.435 20 0 FCADMP CN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000415135552 245349227 /nfs/dbraw/zinc/34/92/27/245349227.db2.gz GDEMBLPBQPCHBG-UHFFFAOYSA-N 2 1 369.491 0.435 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)CC1 ZINC000414936117 245334858 /nfs/dbraw/zinc/33/48/58/245334858.db2.gz BQKTWONNJQDKEA-BEFAXECRSA-N 2 1 369.506 0.925 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000415328311 245387917 /nfs/dbraw/zinc/38/79/17/245387917.db2.gz LTCBMLZTAQRMEY-IIAWOOMASA-N 2 1 360.458 0.712 20 0 FCADMP COC(=O)CNC(=O)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373514440 217027267 /nfs/dbraw/zinc/02/72/67/217027267.db2.gz GQTMXXMOZCPDJL-IBGZPJMESA-N 2 1 363.458 0.235 20 0 FCADMP COC(=O)CNC(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373514440 217027270 /nfs/dbraw/zinc/02/72/70/217027270.db2.gz GQTMXXMOZCPDJL-IBGZPJMESA-N 2 1 363.458 0.235 20 0 FCADMP COC(=O)CNC(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373514440 217027272 /nfs/dbraw/zinc/02/72/72/217027272.db2.gz GQTMXXMOZCPDJL-IBGZPJMESA-N 2 1 363.458 0.235 20 0 FCADMP COC(=O)CNC(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373514440 217027276 /nfs/dbraw/zinc/02/72/76/217027276.db2.gz GQTMXXMOZCPDJL-IBGZPJMESA-N 2 1 363.458 0.235 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179939 217106059 /nfs/dbraw/zinc/10/60/59/217106059.db2.gz XEFODQXLUBKVGV-JKSUJKDBSA-N 2 1 350.507 0.907 20 0 FCADMP CN(C)c1noc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000374552900 217142329 /nfs/dbraw/zinc/14/23/29/217142329.db2.gz TWHSUFNMOZANCZ-AWEZNQCLSA-N 2 1 350.467 0.479 20 0 FCADMP CN(C)c1noc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000374552900 217142330 /nfs/dbraw/zinc/14/23/30/217142330.db2.gz TWHSUFNMOZANCZ-AWEZNQCLSA-N 2 1 350.467 0.479 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000187192255 209205283 /nfs/dbraw/zinc/20/52/83/209205283.db2.gz PHQDTGHRFOKRDM-IAGOWNOFSA-N 2 1 370.538 0.830 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330117 209143718 /nfs/dbraw/zinc/14/37/18/209143718.db2.gz CUIQGDJMXHUMGG-DFQSSKMNSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330117 209143720 /nfs/dbraw/zinc/14/37/20/209143720.db2.gz CUIQGDJMXHUMGG-DFQSSKMNSA-N 2 1 374.529 0.622 20 0 FCADMP CCN1C(=O)[C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCN2C1=O ZINC000375596063 217289379 /nfs/dbraw/zinc/28/93/79/217289379.db2.gz HCJPPTPOZYKIRI-MRXNPFEDSA-N 2 1 351.495 0.371 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000417548591 245707948 /nfs/dbraw/zinc/70/79/48/245707948.db2.gz QZMQPMOUGSOVFT-ROUUACIJSA-N 2 1 373.501 0.887 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000418827629 245853480 /nfs/dbraw/zinc/85/34/80/245853480.db2.gz CKWALQBMARXBOC-HLLBOEOZSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418833018 245855382 /nfs/dbraw/zinc/85/53/82/245855382.db2.gz MUGDRIQRCBXUOW-HOTGVXAUSA-N 2 1 366.506 0.394 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419103973 245983352 /nfs/dbraw/zinc/98/33/52/245983352.db2.gz GUVCAWCVPGHYCX-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419151131 246020549 /nfs/dbraw/zinc/02/05/49/246020549.db2.gz NDHGZJIOIHGATA-BBRMVZONSA-N 2 1 364.515 0.930 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)[nH+]1 ZINC000419134510 246008482 /nfs/dbraw/zinc/00/84/82/246008482.db2.gz KDWNEVFNNXERIF-GJZGRUSLSA-N 2 1 359.474 0.684 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000419134980 246008673 /nfs/dbraw/zinc/00/86/73/246008673.db2.gz LMSSJIHQMNHROY-MRXNPFEDSA-N 2 1 359.474 0.685 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)[nH+]1 ZINC000419137779 246011314 /nfs/dbraw/zinc/01/13/14/246011314.db2.gz RCCWIABHQFQLHF-ZBFHGGJFSA-N 2 1 359.474 0.732 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419162678 246025925 /nfs/dbraw/zinc/02/59/25/246025925.db2.gz HRXUFQVIFBUYAL-WBVHZDCISA-N 2 1 362.474 0.105 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419150191 246017860 /nfs/dbraw/zinc/01/78/60/246017860.db2.gz KWJMXCVWINSCJA-IXDOHACOSA-N 2 1 350.507 0.539 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000419166062 246028847 /nfs/dbraw/zinc/02/88/47/246028847.db2.gz OAOCGENAOAVILB-KRWDZBQOSA-N 2 1 374.485 0.391 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172506 246032391 /nfs/dbraw/zinc/03/23/91/246032391.db2.gz ZCOIUJSVNAZQQG-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419172824 246033257 /nfs/dbraw/zinc/03/32/57/246033257.db2.gz RRHFYEASIQEHEE-RBUKOAKNSA-N 2 1 372.513 0.783 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419180864 246038748 /nfs/dbraw/zinc/03/87/48/246038748.db2.gz AXCJKJVRAIXUBR-MRXNPFEDSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186907 246040701 /nfs/dbraw/zinc/04/07/01/246040701.db2.gz FIZCEWNCSNSRGG-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419211063 246057556 /nfs/dbraw/zinc/05/75/56/246057556.db2.gz YRPXAGZQMMWDDA-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213905 246059128 /nfs/dbraw/zinc/05/91/28/246059128.db2.gz WZUVIMFWTYJVCC-ROUUACIJSA-N 2 1 374.485 0.343 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419220666 246061486 /nfs/dbraw/zinc/06/14/86/246061486.db2.gz VGJNSEWMNNEWTI-QGZVFWFLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223469 246061702 /nfs/dbraw/zinc/06/17/02/246061702.db2.gz DAMBXHVHIMUISW-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419223121 246062591 /nfs/dbraw/zinc/06/25/91/246062591.db2.gz CLCSPKCWMINDTM-HYVNUMGLSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419226724 246065152 /nfs/dbraw/zinc/06/51/52/246065152.db2.gz DQRAQCTUZXNTJF-UGSOOPFHSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419226724 246065155 /nfs/dbraw/zinc/06/51/55/246065155.db2.gz DQRAQCTUZXNTJF-UGSOOPFHSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419205314 246052731 /nfs/dbraw/zinc/05/27/31/246052731.db2.gz JWBSVZXACJGLMR-RVKKMQEKSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419230497 246069457 /nfs/dbraw/zinc/06/94/57/246069457.db2.gz IUIPBEJPLCYUHH-KBPBESRZSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419230497 246069464 /nfs/dbraw/zinc/06/94/64/246069464.db2.gz IUIPBEJPLCYUHH-KBPBESRZSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419233222 246071316 /nfs/dbraw/zinc/07/13/16/246071316.db2.gz VWRYLQKFZDMBHY-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000419245435 246075902 /nfs/dbraw/zinc/07/59/02/246075902.db2.gz VULLTTBNDDJKAO-OCCSQVGLSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000419245435 246075904 /nfs/dbraw/zinc/07/59/04/246075904.db2.gz VULLTTBNDDJKAO-OCCSQVGLSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419249746 246076073 /nfs/dbraw/zinc/07/60/73/246076073.db2.gz PLVGCAMRQQHQEA-LISAXSMJSA-N 2 1 360.502 0.970 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249293 246076226 /nfs/dbraw/zinc/07/62/26/246076226.db2.gz YNSQUESOTMLSGR-VKJFTORMSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249293 246076230 /nfs/dbraw/zinc/07/62/30/246076230.db2.gz YNSQUESOTMLSGR-VKJFTORMSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419246441 246077409 /nfs/dbraw/zinc/07/74/09/246077409.db2.gz WNQWPUZONZUWEO-RWBZWWBESA-N 2 1 358.486 0.936 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419246441 246077413 /nfs/dbraw/zinc/07/74/13/246077413.db2.gz WNQWPUZONZUWEO-RWBZWWBESA-N 2 1 358.486 0.936 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266275 246080077 /nfs/dbraw/zinc/08/00/77/246080077.db2.gz GDQYOHZTWFOECC-KRWDZBQOSA-N 2 1 362.474 0.235 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419267218 246081569 /nfs/dbraw/zinc/08/15/69/246081569.db2.gz INHQEQWVBBXLHW-OAHLLOKOSA-N 2 1 362.474 0.107 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)[nH+]c1 ZINC000419304624 246093459 /nfs/dbraw/zinc/09/34/59/246093459.db2.gz UXFRHIMXKDFKOA-HOCLYGCPSA-N 2 1 359.474 0.589 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419306633 246094087 /nfs/dbraw/zinc/09/40/87/246094087.db2.gz YLZZAJAXNLQDMW-GOEBONIOSA-N 2 1 359.405 0.400 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329936 246099679 /nfs/dbraw/zinc/09/96/79/246099679.db2.gz HKHXSDZRZAOWRK-XGWTYTTDSA-N 2 1 374.460 0.678 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCOCC1 ZINC000419294633 246088994 /nfs/dbraw/zinc/08/89/94/246088994.db2.gz BUYWQWHHIYMGSJ-GOEBONIOSA-N 2 1 354.495 0.095 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCOCC1 ZINC000419303485 246090204 /nfs/dbraw/zinc/09/02/04/246090204.db2.gz SAFYALDCGWOPAK-MRXNPFEDSA-N 2 1 368.522 0.500 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419412376 246146799 /nfs/dbraw/zinc/14/67/99/246146799.db2.gz RCKSTUVHEKXMGC-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398634 246134022 /nfs/dbraw/zinc/13/40/22/246134022.db2.gz IEZDSKAIQFMHSW-GOEBONIOSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398634 246134025 /nfs/dbraw/zinc/13/40/25/246134025.db2.gz IEZDSKAIQFMHSW-GOEBONIOSA-N 2 1 364.515 0.526 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000419404279 246136633 /nfs/dbraw/zinc/13/66/33/246136633.db2.gz FRZLLEBPXRJNTO-CVEARBPZSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406001 246139760 /nfs/dbraw/zinc/13/97/60/246139760.db2.gz VUNQEGMJVDEZKB-HIFRSBDPSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406001 246139764 /nfs/dbraw/zinc/13/97/64/246139764.db2.gz VUNQEGMJVDEZKB-HIFRSBDPSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404624 246139817 /nfs/dbraw/zinc/13/98/17/246139817.db2.gz UDVDWCZNGREINA-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000419406607 246140196 /nfs/dbraw/zinc/14/01/96/246140196.db2.gz JFNINMRVAVWEHA-YJBOKZPZSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407756 246142380 /nfs/dbraw/zinc/14/23/80/246142380.db2.gz YZXUMPSJEDBKGU-RYRKJORJSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421778 246154296 /nfs/dbraw/zinc/15/42/96/246154296.db2.gz WAGYWVTYOHERFO-SJORKVTESA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421778 246154303 /nfs/dbraw/zinc/15/43/03/246154303.db2.gz WAGYWVTYOHERFO-SJORKVTESA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419421535 246155340 /nfs/dbraw/zinc/15/53/40/246155340.db2.gz LMJWVCVGUHLFSY-JKSUJKDBSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419424052 246157429 /nfs/dbraw/zinc/15/74/29/246157429.db2.gz NUNUEYNKXAZCLF-IYBDPMFKSA-N 2 1 352.523 0.977 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419426257 246157650 /nfs/dbraw/zinc/15/76/50/246157650.db2.gz QOPNWFVQIWOJPJ-MRXNPFEDSA-N 2 1 358.486 0.667 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCO1 ZINC000419428622 246158743 /nfs/dbraw/zinc/15/87/43/246158743.db2.gz TZWQWZONGTXQOO-GOSISDBHSA-N 2 1 374.485 0.127 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419454439 246170823 /nfs/dbraw/zinc/17/08/23/246170823.db2.gz UDTLIHZGSLFPTL-MAUKXSAKSA-N 2 1 373.501 0.167 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419419426 246151523 /nfs/dbraw/zinc/15/15/23/246151523.db2.gz ZHJWQZWEEQRNDJ-QZTJIDSGSA-N 2 1 358.486 0.808 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419503812 246182521 /nfs/dbraw/zinc/18/25/21/246182521.db2.gz FHQJPQQFJFFNEW-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419504500 246182595 /nfs/dbraw/zinc/18/25/95/246182595.db2.gz GSYLDPSFLYTAJQ-FHWLQOOXSA-N 2 1 370.497 0.693 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000419510052 246185325 /nfs/dbraw/zinc/18/53/25/246185325.db2.gz GMQCJQSDBZUCIZ-CABCVRRESA-N 2 1 350.463 0.941 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475416 246175636 /nfs/dbraw/zinc/17/56/36/246175636.db2.gz DQQCXVQDZWPOED-OAGGEKHMSA-N 2 1 368.522 0.844 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419474832 246175915 /nfs/dbraw/zinc/17/59/15/246175915.db2.gz CQCBFYVTEUTMOY-APWZRJJASA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419474882 246176856 /nfs/dbraw/zinc/17/68/56/246176856.db2.gz CTMQCAYDUZQQAC-OWCLPIDISA-N 2 1 368.522 0.986 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419536582 246194664 /nfs/dbraw/zinc/19/46/64/246194664.db2.gz USSMLGMSAMIVQZ-UBDQQSCGSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536872 246194747 /nfs/dbraw/zinc/19/47/47/246194747.db2.gz VAKBGFUFHBHHMP-AHCXZYCDSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533369 246195470 /nfs/dbraw/zinc/19/54/70/246195470.db2.gz OUDJNMKKGPDAPY-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534746 246195764 /nfs/dbraw/zinc/19/57/64/246195764.db2.gz QQCRWQVYDLKEDC-RDJZCZTQSA-N 2 1 358.486 0.834 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419649263 246227791 /nfs/dbraw/zinc/22/77/91/246227791.db2.gz MYYFRGVXOZOJKY-DOPJRALCSA-N 2 1 374.460 0.679 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419703334 246259142 /nfs/dbraw/zinc/25/91/42/246259142.db2.gz DHEPOEIPNFXXCA-AHCXZYCDSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702415 246259362 /nfs/dbraw/zinc/25/93/62/246259362.db2.gz BTOIKIMNMIOTEJ-LULLPPNCSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757850 246285163 /nfs/dbraw/zinc/28/51/63/246285163.db2.gz JAZZRQBCOFQREY-UONOGXRCSA-N 2 1 350.438 0.583 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419755854 246287296 /nfs/dbraw/zinc/28/72/96/246287296.db2.gz FMJWRQVMSYHCKQ-UHFFFAOYSA-N 2 1 362.449 0.800 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760817 246289607 /nfs/dbraw/zinc/28/96/07/246289607.db2.gz OHNPWCDROOPMPC-JKSUJKDBSA-N 2 1 350.438 0.760 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000419765640 246290344 /nfs/dbraw/zinc/29/03/44/246290344.db2.gz QNLXRMLVYPGEQH-OLMNPRSZSA-N 2 1 358.486 0.819 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419738642 246278803 /nfs/dbraw/zinc/27/88/03/246278803.db2.gz VDBZFEYMUPDUEO-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419867795 246338421 /nfs/dbraw/zinc/33/84/21/246338421.db2.gz QOXNAQGBWMVFHW-GOSISDBHSA-N 2 1 358.486 0.632 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419870810 246339815 /nfs/dbraw/zinc/33/98/15/246339815.db2.gz SLNHUPZKYGBGSW-GOSISDBHSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419870810 246339822 /nfs/dbraw/zinc/33/98/22/246339822.db2.gz SLNHUPZKYGBGSW-GOSISDBHSA-N 2 1 374.485 0.583 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419837248 246313241 /nfs/dbraw/zinc/31/32/41/246313241.db2.gz CSBOQGNRSWRZTN-INIZCTEOSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848806 246320653 /nfs/dbraw/zinc/32/06/53/246320653.db2.gz XDPBAOASIJIKKY-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848806 246320656 /nfs/dbraw/zinc/32/06/56/246320656.db2.gz XDPBAOASIJIKKY-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419852986 246325167 /nfs/dbraw/zinc/32/51/67/246325167.db2.gz AJIDHLOXVHGNCD-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419872787 246341737 /nfs/dbraw/zinc/34/17/37/246341737.db2.gz FKGSOHFPCHWHDM-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000419867566 246337757 /nfs/dbraw/zinc/33/77/57/246337757.db2.gz IBHKDTBXKJGHEM-HUUCEWRRSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419932194 246376608 /nfs/dbraw/zinc/37/66/08/246376608.db2.gz FCKKEKJSLBQEQA-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419932194 246376613 /nfs/dbraw/zinc/37/66/13/246376613.db2.gz FCKKEKJSLBQEQA-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419886545 246352935 /nfs/dbraw/zinc/35/29/35/246352935.db2.gz PSNALMWKLSOJFS-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419886545 246352938 /nfs/dbraw/zinc/35/29/38/246352938.db2.gz PSNALMWKLSOJFS-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000419892354 246353496 /nfs/dbraw/zinc/35/34/96/246353496.db2.gz JJQKTUBBQQRKJE-ARFHVFGLSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000419892354 246353500 /nfs/dbraw/zinc/35/35/00/246353500.db2.gz JJQKTUBBQQRKJE-ARFHVFGLSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419905082 246361103 /nfs/dbraw/zinc/36/11/03/246361103.db2.gz UPJFWOUYHPOVPW-ULQDDVLXSA-N 2 1 350.507 0.968 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419945805 246381022 /nfs/dbraw/zinc/38/10/22/246381022.db2.gz SWJOSNHFEHCPCE-HNNXBMFYSA-N 2 1 362.474 0.441 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419945805 246381031 /nfs/dbraw/zinc/38/10/31/246381031.db2.gz SWJOSNHFEHCPCE-HNNXBMFYSA-N 2 1 362.474 0.441 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419960419 246388300 /nfs/dbraw/zinc/38/83/00/246388300.db2.gz RRIURYLHKFKWSG-BFYDXBDKSA-N 2 1 350.507 0.951 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419974003 246397537 /nfs/dbraw/zinc/39/75/37/246397537.db2.gz IPYIFDFUPQRWLH-LZLYRXPVSA-N 2 1 362.518 0.968 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000420381040 246554160 /nfs/dbraw/zinc/55/41/60/246554160.db2.gz RQIMHXKIAMSMLA-IBGZPJMESA-N 2 1 358.490 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423372220 247013842 /nfs/dbraw/zinc/01/38/42/247013842.db2.gz ICMYISNCWFOIHL-AEFFLSMTSA-N 2 1 374.485 0.296 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423380235 247015586 /nfs/dbraw/zinc/01/55/86/247015586.db2.gz NKVGCPWIQGYXLU-DLBZAZTESA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423390753 247017555 /nfs/dbraw/zinc/01/75/55/247017555.db2.gz MTQYMHFYAGUYNG-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423392596 247017937 /nfs/dbraw/zinc/01/79/37/247017937.db2.gz XTQISVODLXQZHV-KSZLIROESA-N 2 1 358.486 0.738 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423392596 247017940 /nfs/dbraw/zinc/01/79/40/247017940.db2.gz XTQISVODLXQZHV-KSZLIROESA-N 2 1 358.486 0.738 20 0 FCADMP COC[C@@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000423384380 247017951 /nfs/dbraw/zinc/01/79/51/247017951.db2.gz LDDTYICIHOVQJO-ZIFCJYIRSA-N 2 1 352.523 0.630 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000423533988 247044215 /nfs/dbraw/zinc/04/42/15/247044215.db2.gz ZCIGBTDEENNMME-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[N@H+]1CCOC ZINC000423533988 247044221 /nfs/dbraw/zinc/04/42/21/247044221.db2.gz ZCIGBTDEENNMME-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423557777 247051272 /nfs/dbraw/zinc/05/12/72/247051272.db2.gz COIJRHCSGZXWRJ-FXAWDEMLSA-N 2 1 374.485 0.032 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423588670 247066189 /nfs/dbraw/zinc/06/61/89/247066189.db2.gz BBMJRKSBBVNGEV-FUHWJXTLSA-N 2 1 358.486 0.787 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423452472 247029978 /nfs/dbraw/zinc/02/99/78/247029978.db2.gz WLQKSTQPIRZHFZ-INIZCTEOSA-N 2 1 368.522 0.391 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501761 247037299 /nfs/dbraw/zinc/03/72/99/247037299.db2.gz DPOGBWXOVMRTIC-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501761 247037303 /nfs/dbraw/zinc/03/73/03/247037303.db2.gz DPOGBWXOVMRTIC-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501797 247037606 /nfs/dbraw/zinc/03/76/06/247037606.db2.gz DTUJPLFZWSKDJJ-MSOLQXFVSA-N 2 1 374.485 0.296 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501797 247037613 /nfs/dbraw/zinc/03/76/13/247037613.db2.gz DTUJPLFZWSKDJJ-MSOLQXFVSA-N 2 1 374.485 0.296 20 0 FCADMP CN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423673875 247105578 /nfs/dbraw/zinc/10/55/78/247105578.db2.gz CDXBFSSGUXNNKC-GOSISDBHSA-N 2 1 358.486 0.582 20 0 FCADMP CN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423673875 247105581 /nfs/dbraw/zinc/10/55/81/247105581.db2.gz CDXBFSSGUXNNKC-GOSISDBHSA-N 2 1 358.486 0.582 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423620328 247078661 /nfs/dbraw/zinc/07/86/61/247078661.db2.gz WNJLFGWXNRQRMG-RCCFBDPRSA-N 2 1 356.470 0.527 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423624107 247081501 /nfs/dbraw/zinc/08/15/01/247081501.db2.gz BEFQBAJIYZGRDC-WMZOPIPTSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423653424 247093794 /nfs/dbraw/zinc/09/37/94/247093794.db2.gz ZSLZAOBYFKGWKX-DYESRHJHSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423788623 247141165 /nfs/dbraw/zinc/14/11/65/247141165.db2.gz YALSVJSUDFFOHM-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423926384 247151146 /nfs/dbraw/zinc/15/11/46/247151146.db2.gz PADDRRZSWMRXCJ-RDBSUJKOSA-N 2 1 352.458 0.773 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1(C[NH3+])CCC1 ZINC000423705837 247117346 /nfs/dbraw/zinc/11/73/46/247117346.db2.gz PMEFMJYQIMWXHK-OAHLLOKOSA-N 2 1 352.479 0.040 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423723301 247125895 /nfs/dbraw/zinc/12/58/95/247125895.db2.gz HCXUDBNAFWPOCR-HZPDHXFCSA-N 2 1 362.474 0.628 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1C[C@H](C)O ZINC000424149834 247173078 /nfs/dbraw/zinc/17/30/78/247173078.db2.gz XMULJPGLCCLLKC-RRFJBIMHSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+]1C[C@H](C)O ZINC000424149834 247173083 /nfs/dbraw/zinc/17/30/83/247173083.db2.gz XMULJPGLCCLLKC-RRFJBIMHSA-N 2 1 350.467 0.120 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000424498029 247240577 /nfs/dbraw/zinc/24/05/77/247240577.db2.gz YKJJJKHKJMFNRV-HUUCEWRRSA-N 2 1 354.495 0.141 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CC[NH2+]CC2 ZINC000424532042 247253005 /nfs/dbraw/zinc/25/30/05/247253005.db2.gz XMHQYKJXAYOFEB-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425387828 247330005 /nfs/dbraw/zinc/33/00/05/247330005.db2.gz NWYOZLSWPVBPPL-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000425391123 247331753 /nfs/dbraw/zinc/33/17/53/247331753.db2.gz RHTICTDMJZOPTJ-CVEARBPZSA-N 2 1 368.522 0.354 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000425391123 247331756 /nfs/dbraw/zinc/33/17/56/247331756.db2.gz RHTICTDMJZOPTJ-CVEARBPZSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000435562920 248000137 /nfs/dbraw/zinc/00/01/37/248000137.db2.gz JVNAHIZPVBHFIR-HZPDHXFCSA-N 2 1 361.490 0.612 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000435562920 248000139 /nfs/dbraw/zinc/00/01/39/248000139.db2.gz JVNAHIZPVBHFIR-HZPDHXFCSA-N 2 1 361.490 0.612 20 0 FCADMP COc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436063755 248030727 /nfs/dbraw/zinc/03/07/27/248030727.db2.gz LAMGCUKCPNLKHK-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP COc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436063755 248030730 /nfs/dbraw/zinc/03/07/30/248030730.db2.gz LAMGCUKCPNLKHK-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000436062265 248030777 /nfs/dbraw/zinc/03/07/77/248030777.db2.gz VPXXHOXLVJLVLZ-HNNXBMFYSA-N 2 1 364.515 0.952 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000436062265 248030781 /nfs/dbraw/zinc/03/07/81/248030781.db2.gz VPXXHOXLVJLVLZ-HNNXBMFYSA-N 2 1 364.515 0.952 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000439131708 248111164 /nfs/dbraw/zinc/11/11/64/248111164.db2.gz IHHBOCBJEKVNSV-WBVHZDCISA-N 2 1 361.552 0.995 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000439164496 248113000 /nfs/dbraw/zinc/11/30/00/248113000.db2.gz BTHAORWYFBNLIN-WBVHZDCISA-N 2 1 368.522 0.483 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000439345032 248121596 /nfs/dbraw/zinc/12/15/96/248121596.db2.gz KTUDJFATAXDCHW-GOSISDBHSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771506 248297689 /nfs/dbraw/zinc/29/76/89/248297689.db2.gz TZAJNQGMZRHXAK-IAGOWNOFSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771506 248297691 /nfs/dbraw/zinc/29/76/91/248297691.db2.gz TZAJNQGMZRHXAK-IAGOWNOFSA-N 2 1 360.502 0.804 20 0 FCADMP COc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443512301 248330361 /nfs/dbraw/zinc/33/03/61/248330361.db2.gz SXQUHWSUIYWALA-ZQDZILKHSA-N 2 1 363.510 0.938 20 0 FCADMP COc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443512301 248330362 /nfs/dbraw/zinc/33/03/62/248330362.db2.gz SXQUHWSUIYWALA-ZQDZILKHSA-N 2 1 363.510 0.938 20 0 FCADMP COc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443512301 248330364 /nfs/dbraw/zinc/33/03/64/248330364.db2.gz SXQUHWSUIYWALA-ZQDZILKHSA-N 2 1 363.510 0.938 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444176399 248349808 /nfs/dbraw/zinc/34/98/08/248349808.db2.gz PDXFJKCMJRXDNW-PXNSSMCTSA-N 2 1 356.470 0.690 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000452565917 249322414 /nfs/dbraw/zinc/32/24/14/249322414.db2.gz NKWPUVBEKKZRTB-UTSKFRMZSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000452565917 249322418 /nfs/dbraw/zinc/32/24/18/249322418.db2.gz NKWPUVBEKKZRTB-UTSKFRMZSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000452565917 249322422 /nfs/dbraw/zinc/32/24/22/249322422.db2.gz NKWPUVBEKKZRTB-UTSKFRMZSA-N 2 1 352.523 0.783 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452780726 249332982 /nfs/dbraw/zinc/33/29/82/249332982.db2.gz HRASZLZJEOYNPO-KRWDZBQOSA-N 2 1 353.507 0.985 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000459928756 249794957 /nfs/dbraw/zinc/79/49/57/249794957.db2.gz YTEGNHOXAIBKTK-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000459928756 249794962 /nfs/dbraw/zinc/79/49/62/249794962.db2.gz YTEGNHOXAIBKTK-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP C[NH+](CCNC(=O)c1ccoc1CC(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000270821606 211275077 /nfs/dbraw/zinc/27/50/77/211275077.db2.gz OHUFXFUZBUCISN-UHFFFAOYSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+](CCNC(=O)Cc1occc1C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000270821606 211275080 /nfs/dbraw/zinc/27/50/80/211275080.db2.gz OHUFXFUZBUCISN-UHFFFAOYSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+](CCNC(=O)Cc1occc1C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000270821606 211275084 /nfs/dbraw/zinc/27/50/84/211275084.db2.gz OHUFXFUZBUCISN-UHFFFAOYSA-N 2 1 362.474 0.857 20 0 FCADMP NC(=O)c1csc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469862876 250009729 /nfs/dbraw/zinc/00/97/29/250009729.db2.gz BAUVFBUFYSVSRT-SWLSCSKDSA-N 2 1 350.488 0.927 20 0 FCADMP COC(=O)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@@H]1C ZINC000469999497 250019544 /nfs/dbraw/zinc/01/95/44/250019544.db2.gz LDBDLYQBUJYXJQ-GEEKYZPCSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@@H]1C ZINC000469999497 250019548 /nfs/dbraw/zinc/01/95/48/250019548.db2.gz LDBDLYQBUJYXJQ-GEEKYZPCSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@@H]3C)COC2)[C@@H]1C ZINC000469999497 250019552 /nfs/dbraw/zinc/01/95/52/250019552.db2.gz LDBDLYQBUJYXJQ-GEEKYZPCSA-N 2 1 368.474 0.770 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470022398 250020162 /nfs/dbraw/zinc/02/01/62/250020162.db2.gz LGDYGUVZEYWCQX-MRXNPFEDSA-N 2 1 354.458 0.911 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470022398 250020167 /nfs/dbraw/zinc/02/01/67/250020167.db2.gz LGDYGUVZEYWCQX-MRXNPFEDSA-N 2 1 354.458 0.911 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000472263605 250143046 /nfs/dbraw/zinc/14/30/46/250143046.db2.gz JOBKASCMDAXZNJ-OAHLLOKOSA-N 2 1 373.523 0.131 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000472263605 250143052 /nfs/dbraw/zinc/14/30/52/250143052.db2.gz JOBKASCMDAXZNJ-OAHLLOKOSA-N 2 1 373.523 0.131 20 0 FCADMP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1 ZINC000472668114 250171841 /nfs/dbraw/zinc/17/18/41/250171841.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 1 369.510 0.886 20 0 FCADMP CN(CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)[C@H]1CCSC1 ZINC000472668114 250171843 /nfs/dbraw/zinc/17/18/43/250171843.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 1 369.510 0.886 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000472759458 250179422 /nfs/dbraw/zinc/17/94/22/250179422.db2.gz ZXVPRUUITOVXFQ-WBVHZDCISA-N 2 1 357.568 0.749 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)C[C@H]3CC[N@H+](C)C3)CC2)[nH+]1 ZINC000481693044 250349509 /nfs/dbraw/zinc/34/95/09/250349509.db2.gz CBNAISVFVYMWQM-INIZCTEOSA-N 2 1 373.501 0.885 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)C[C@H]3CC[N@@H+](C)C3)CC2)[nH+]1 ZINC000481693044 250349516 /nfs/dbraw/zinc/34/95/16/250349516.db2.gz CBNAISVFVYMWQM-INIZCTEOSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCSC1 ZINC000481797633 250361826 /nfs/dbraw/zinc/36/18/26/250361826.db2.gz SLACQMGCHXAZHH-CJNGLKHVSA-N 2 1 357.524 0.063 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000498594564 250656149 /nfs/dbraw/zinc/65/61/49/250656149.db2.gz UTNKMNRASBOBML-MRXNPFEDSA-N 2 1 356.511 0.584 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@@H+](C)C1 ZINC000413049985 532991991 /nfs/dbraw/zinc/99/19/91/532991991.db2.gz UHQYYBREXZJOFR-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+](C)C1 ZINC000413511821 532995709 /nfs/dbraw/zinc/99/57/09/532995709.db2.gz XEDGAEWXNNXKKE-HUUCEWRRSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511821 532995711 /nfs/dbraw/zinc/99/57/11/532995711.db2.gz XEDGAEWXNNXKKE-HUUCEWRRSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511821 532995715 /nfs/dbraw/zinc/99/57/15/532995715.db2.gz XEDGAEWXNNXKKE-HUUCEWRRSA-N 2 1 354.495 0.853 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1=O ZINC000074198965 208051059 /nfs/dbraw/zinc/05/10/59/208051059.db2.gz VCHYEAQSAXFYKC-IBGZPJMESA-N 2 1 372.513 0.961 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000074193591 208051941 /nfs/dbraw/zinc/05/19/41/208051941.db2.gz MZBOZJJFUKYMKA-QZTJIDSGSA-N 2 1 358.486 0.912 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000074193591 208051947 /nfs/dbraw/zinc/05/19/47/208051947.db2.gz MZBOZJJFUKYMKA-QZTJIDSGSA-N 2 1 358.486 0.912 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000066568134 208020294 /nfs/dbraw/zinc/02/02/94/208020294.db2.gz HHZBJTPUKBQQOH-GOSISDBHSA-N 2 1 363.506 0.510 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC[NH+]1CCOCC1 ZINC000078029115 208077232 /nfs/dbraw/zinc/07/72/32/208077232.db2.gz GUTVYNOTHJUGGS-UHFFFAOYSA-N 2 1 361.490 0.432 20 0 FCADMP C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000089962341 208123012 /nfs/dbraw/zinc/12/30/12/208123012.db2.gz OSYJMGLISNNTEC-QRQLOZEOSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000089962341 208123016 /nfs/dbraw/zinc/12/30/16/208123016.db2.gz OSYJMGLISNNTEC-QRQLOZEOSA-N 2 1 360.502 0.374 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000090003473 208126449 /nfs/dbraw/zinc/12/64/49/208126449.db2.gz LHKPKVROEIHPMR-IAGOWNOFSA-N 2 1 361.490 0.802 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000090003473 208126454 /nfs/dbraw/zinc/12/64/54/208126454.db2.gz LHKPKVROEIHPMR-IAGOWNOFSA-N 2 1 361.490 0.802 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000105323361 208197339 /nfs/dbraw/zinc/19/73/39/208197339.db2.gz OLRQIVDOHXXCJD-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000107371422 208242060 /nfs/dbraw/zinc/24/20/60/208242060.db2.gz JJYLZNGGRQBJJL-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000119219949 208355490 /nfs/dbraw/zinc/35/54/90/208355490.db2.gz AMLCNHZNBVJYNY-KZNAEPCWSA-N 2 1 351.539 0.996 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000119818011 208367321 /nfs/dbraw/zinc/36/73/21/208367321.db2.gz FWIZYXFUUIIVRU-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000119818011 208367327 /nfs/dbraw/zinc/36/73/27/208367327.db2.gz FWIZYXFUUIIVRU-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000119818011 208367333 /nfs/dbraw/zinc/36/73/33/208367333.db2.gz FWIZYXFUUIIVRU-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)C[NH+]1CCOCC1 ZINC000120923590 208394423 /nfs/dbraw/zinc/39/44/23/208394423.db2.gz JZLKRSGZSOCWDM-CQSZACIVSA-N 2 1 360.458 0.655 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000176383230 209002836 /nfs/dbraw/zinc/00/28/36/209002836.db2.gz GCPAVNVVJAHMCC-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000177509287 209026256 /nfs/dbraw/zinc/02/62/56/209026256.db2.gz XAHDVVCGPKAXEP-GASCZTMLSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178099182 209041095 /nfs/dbraw/zinc/04/10/95/209041095.db2.gz QNPOYRGQBVCYLC-KRWDZBQOSA-N 2 1 374.485 0.867 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186477874 533246326 /nfs/dbraw/zinc/24/63/26/533246326.db2.gz WUPOGYKQJQENPU-SNRMKQJTSA-N 2 1 361.486 0.583 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+](C)C1 ZINC000413171914 533479093 /nfs/dbraw/zinc/47/90/93/533479093.db2.gz NYADBTSSYWGJHP-KRWDZBQOSA-N 2 1 362.474 0.865 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413171914 533479095 /nfs/dbraw/zinc/47/90/95/533479095.db2.gz NYADBTSSYWGJHP-KRWDZBQOSA-N 2 1 362.474 0.865 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413171914 533479097 /nfs/dbraw/zinc/47/90/97/533479097.db2.gz NYADBTSSYWGJHP-KRWDZBQOSA-N 2 1 362.474 0.865 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+](C)C1 ZINC000413253048 533480126 /nfs/dbraw/zinc/48/01/26/533480126.db2.gz TZHMVQBRSGEYOG-HOTGVXAUSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253048 533480129 /nfs/dbraw/zinc/48/01/29/533480129.db2.gz TZHMVQBRSGEYOG-HOTGVXAUSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253048 533480132 /nfs/dbraw/zinc/48/01/32/533480132.db2.gz TZHMVQBRSGEYOG-HOTGVXAUSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C)C1 ZINC000413893224 533483124 /nfs/dbraw/zinc/48/31/24/533483124.db2.gz AMFNGLMXWJDNNC-GOEBONIOSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C)C1 ZINC000413893224 533483130 /nfs/dbraw/zinc/48/31/30/533483130.db2.gz AMFNGLMXWJDNNC-GOEBONIOSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893224 533483135 /nfs/dbraw/zinc/48/31/35/533483135.db2.gz AMFNGLMXWJDNNC-GOEBONIOSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893224 533483139 /nfs/dbraw/zinc/48/31/39/533483139.db2.gz AMFNGLMXWJDNNC-GOEBONIOSA-N 2 1 353.463 0.193 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187334702 229239951 /nfs/dbraw/zinc/23/99/51/229239951.db2.gz OJXLWTJWWZDVCG-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000187334702 229239954 /nfs/dbraw/zinc/23/99/54/229239954.db2.gz OJXLWTJWWZDVCG-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000187334702 229239958 /nfs/dbraw/zinc/23/99/58/229239958.db2.gz OJXLWTJWWZDVCG-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000189439892 229255276 /nfs/dbraw/zinc/25/52/76/229255276.db2.gz QPLOLAAEQKSNIO-CVEARBPZSA-N 2 1 369.535 0.919 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000410468039 230091294 /nfs/dbraw/zinc/09/12/94/230091294.db2.gz LOFPPPIQEIZTJV-INIZCTEOSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410474957 230093909 /nfs/dbraw/zinc/09/39/09/230093909.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729048 230217131 /nfs/dbraw/zinc/21/71/31/230217131.db2.gz GSUVXCHDZFWBOI-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410736634 230228388 /nfs/dbraw/zinc/22/83/88/230228388.db2.gz OLXNRODWTXDGGF-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC[N@H+]1C ZINC000947132242 674292778 /nfs/dbraw/zinc/29/27/78/674292778.db2.gz WWUDKPYEDKGBTA-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC000947132242 674292779 /nfs/dbraw/zinc/29/27/79/674292779.db2.gz WWUDKPYEDKGBTA-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC000947132242 674292780 /nfs/dbraw/zinc/29/27/80/674292780.db2.gz WWUDKPYEDKGBTA-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000363673642 488872118 /nfs/dbraw/zinc/87/21/18/488872118.db2.gz RTSRQTKXMSPBIO-KZNAEPCWSA-N 2 1 366.550 0.970 20 0 FCADMP Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000278508660 488879291 /nfs/dbraw/zinc/87/92/91/488879291.db2.gz PKLUIALNHPIZJR-QGZVFWFLSA-N 2 1 370.505 0.721 20 0 FCADMP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312041186 488895209 /nfs/dbraw/zinc/89/52/09/488895209.db2.gz WHQILHXQHIXDBD-QZTJIDSGSA-N 2 1 356.470 0.399 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327013920 488917983 /nfs/dbraw/zinc/91/79/83/488917983.db2.gz GDCLKUBITZICLM-XHSDSOJGSA-N 2 1 354.495 0.108 20 0 FCADMP O=C(CNC(=O)[C@H]1CCCCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000364212704 488936672 /nfs/dbraw/zinc/93/66/72/488936672.db2.gz KIXBSFFKQGRQKR-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@@H+](C)C1CC1 ZINC000288052233 488938180 /nfs/dbraw/zinc/93/81/80/488938180.db2.gz UNSXOYNSXUYENG-AWEZNQCLSA-N 2 1 350.463 0.769 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@@H+](C)C1CC1 ZINC000288052237 488938234 /nfs/dbraw/zinc/93/82/34/488938234.db2.gz UNSXOYNSXUYENG-CQSZACIVSA-N 2 1 350.463 0.769 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1 ZINC000328977598 488957436 /nfs/dbraw/zinc/95/74/36/488957436.db2.gz QMXWKSBZIKUTMW-BMFAXAFESA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1 ZINC000328977598 488957438 /nfs/dbraw/zinc/95/74/38/488957438.db2.gz QMXWKSBZIKUTMW-BMFAXAFESA-N 2 1 353.507 0.791 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000288216843 488957637 /nfs/dbraw/zinc/95/76/37/488957637.db2.gz QQIKNRWJWQOZDF-AWEZNQCLSA-N 2 1 351.451 0.200 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000043859558 487906057 /nfs/dbraw/zinc/90/60/57/487906057.db2.gz RHKKPQBQJVQMSE-OAHLLOKOSA-N 2 1 353.511 0.761 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000043859558 487906062 /nfs/dbraw/zinc/90/60/62/487906062.db2.gz RHKKPQBQJVQMSE-OAHLLOKOSA-N 2 1 353.511 0.761 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047980924 488052083 /nfs/dbraw/zinc/05/20/83/488052083.db2.gz LFDANUWVWSHKCN-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)OC ZINC000051957274 488152666 /nfs/dbraw/zinc/15/26/66/488152666.db2.gz NSHYITYLZZPCPE-MAUKXSAKSA-N 2 1 369.506 0.735 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069412539 488372473 /nfs/dbraw/zinc/37/24/73/488372473.db2.gz BKCASJGULDVYJO-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069412539 488372474 /nfs/dbraw/zinc/37/24/74/488372474.db2.gz BKCASJGULDVYJO-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC000069440804 488372608 /nfs/dbraw/zinc/37/26/08/488372608.db2.gz NRZNHZISSGFBCP-KRWDZBQOSA-N 2 1 367.538 0.959 20 0 FCADMP O=C1C[C@@]2(CN1)CCC[NH+](CCCC[N@@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000072833845 488383111 /nfs/dbraw/zinc/38/31/11/488383111.db2.gz DBWMTIPSOVZWNA-WOJBJXKFSA-N 2 1 362.518 0.971 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073031507 488383770 /nfs/dbraw/zinc/38/37/70/488383770.db2.gz OWTJFBBFJSWKRO-MRXNPFEDSA-N 2 1 370.457 0.602 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000073452456 488384508 /nfs/dbraw/zinc/38/45/08/488384508.db2.gz URJHEEMDIKUGJU-KRWDZBQOSA-N 2 1 362.474 0.315 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000073452456 488384509 /nfs/dbraw/zinc/38/45/09/488384509.db2.gz URJHEEMDIKUGJU-KRWDZBQOSA-N 2 1 362.474 0.315 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601978 488385346 /nfs/dbraw/zinc/38/53/46/488385346.db2.gz KLDLYMDLFDBAHY-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073662085 488385740 /nfs/dbraw/zinc/38/57/40/488385740.db2.gz YCIBFCUDVKGBRN-SCTDSRPQSA-N 2 1 370.538 0.737 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073662085 488385741 /nfs/dbraw/zinc/38/57/41/488385741.db2.gz YCIBFCUDVKGBRN-SCTDSRPQSA-N 2 1 370.538 0.737 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000073704841 488385955 /nfs/dbraw/zinc/38/59/55/488385955.db2.gz DFJAXTZMMFISQQ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000073704841 488385956 /nfs/dbraw/zinc/38/59/56/488385956.db2.gz DFJAXTZMMFISQQ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCOCC1 ZINC000074008471 488387270 /nfs/dbraw/zinc/38/72/70/488387270.db2.gz AWIWKHYZZNEGEJ-INIZCTEOSA-N 2 1 356.511 0.753 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000074164815 488388105 /nfs/dbraw/zinc/38/81/05/488388105.db2.gz SJSGROUUUDTATK-SFHVURJKSA-N 2 1 358.486 0.741 20 0 FCADMP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182968087 488390403 /nfs/dbraw/zinc/39/04/03/488390403.db2.gz LNECNYUMPTYCHB-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963585 488390562 /nfs/dbraw/zinc/39/05/62/488390562.db2.gz LSHQFMDKGUPITC-GFCCVEGCSA-N 2 1 367.416 0.332 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345300 488391098 /nfs/dbraw/zinc/39/10/98/488391098.db2.gz SINHICIFWODWLI-CVEARBPZSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345300 488391100 /nfs/dbraw/zinc/39/11/00/488391100.db2.gz SINHICIFWODWLI-CVEARBPZSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345300 488391102 /nfs/dbraw/zinc/39/11/02/488391102.db2.gz SINHICIFWODWLI-CVEARBPZSA-N 2 1 353.511 0.557 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000074372302 488391588 /nfs/dbraw/zinc/39/15/88/488391588.db2.gz PYAQXNHMGKKDSE-SJORKVTESA-N 2 1 356.511 0.707 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCC1 ZINC000185167860 488399448 /nfs/dbraw/zinc/39/94/48/488399448.db2.gz CFWREZFDRDXOAK-KRWDZBQOSA-N 2 1 356.511 0.491 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185467301 488400997 /nfs/dbraw/zinc/40/09/97/488400997.db2.gz UCRCTMSSVSDOSE-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1CCOC ZINC000554336216 491195701 /nfs/dbraw/zinc/19/57/01/491195701.db2.gz WRHVPUXEKCHAKT-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1CCOC ZINC000554336216 491195704 /nfs/dbraw/zinc/19/57/04/491195704.db2.gz WRHVPUXEKCHAKT-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1CCOC ZINC000554336216 491195706 /nfs/dbraw/zinc/19/57/06/491195706.db2.gz WRHVPUXEKCHAKT-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1CCOC ZINC000554336216 491195709 /nfs/dbraw/zinc/19/57/09/491195709.db2.gz WRHVPUXEKCHAKT-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077539653 488415448 /nfs/dbraw/zinc/41/54/48/488415448.db2.gz IEYLUCISPPWQDY-UHFFFAOYSA-N 2 1 354.495 0.463 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000077760799 488417269 /nfs/dbraw/zinc/41/72/69/488417269.db2.gz NETRBPCZPLLOHD-MRXNPFEDSA-N 2 1 355.527 0.014 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000079235500 488428616 /nfs/dbraw/zinc/42/86/16/488428616.db2.gz ZRBUZSJKJORFKV-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000079235495 488428740 /nfs/dbraw/zinc/42/87/40/488428740.db2.gz ZRBUZSJKJORFKV-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000085360647 488450986 /nfs/dbraw/zinc/45/09/86/488450986.db2.gz SAWQLVPUFRCQJU-GJZGRUSLSA-N 2 1 355.527 0.849 20 0 FCADMP C[NH+]1CCC(CNC(=O)C[NH2+]C[C@H]2CCCO2)(N2CCCCC2)CC1 ZINC000237158974 488454416 /nfs/dbraw/zinc/45/44/16/488454416.db2.gz CTSCUWSWMRJHKY-QGZVFWFLSA-N 2 1 352.523 0.822 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445234 488472743 /nfs/dbraw/zinc/47/27/43/488472743.db2.gz UJCVBHTUAMTGRM-QZTJIDSGSA-N 2 1 369.554 0.765 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752601 488475671 /nfs/dbraw/zinc/47/56/71/488475671.db2.gz XNAOTWQRVRLRCP-RDJZCZTQSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+](C[C@H]4CCOC4)CC3)cn2)CC1 ZINC000093817800 488479895 /nfs/dbraw/zinc/47/98/95/488479895.db2.gz ZDBFSDKEIIJFLW-QGZVFWFLSA-N 2 1 360.506 0.383 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@H]3C[NH2+]CCO3)c2)C1 ZINC000269256383 488483695 /nfs/dbraw/zinc/48/36/95/488483695.db2.gz JZOGMTKJCQJWKF-ROUUACIJSA-N 2 1 374.485 0.379 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@H]3C[NH2+]CCO3)c2)C1 ZINC000269256378 488483762 /nfs/dbraw/zinc/48/37/62/488483762.db2.gz JZOGMTKJCQJWKF-MSOLQXFVSA-N 2 1 374.485 0.379 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000247292873 488484283 /nfs/dbraw/zinc/48/42/83/488484283.db2.gz UGGSQASDEFATKS-NVXWUHKLSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000247292873 488484284 /nfs/dbraw/zinc/48/42/84/488484284.db2.gz UGGSQASDEFATKS-NVXWUHKLSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000247292873 488484285 /nfs/dbraw/zinc/48/42/85/488484285.db2.gz UGGSQASDEFATKS-NVXWUHKLSA-N 2 1 363.506 0.419 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1=O ZINC000247301802 488484302 /nfs/dbraw/zinc/48/43/02/488484302.db2.gz PDJKOFIUYNEARI-BHYGNILZSA-N 2 1 350.507 0.905 20 0 FCADMP COC1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000269310341 488490302 /nfs/dbraw/zinc/49/03/02/488490302.db2.gz WLIIEBMFQMOCMA-UHFFFAOYSA-N 2 1 361.490 0.479 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000102048629 488497104 /nfs/dbraw/zinc/49/71/04/488497104.db2.gz BLEYWHKRGNIVCE-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049262 488497169 /nfs/dbraw/zinc/49/71/69/488497169.db2.gz WBPPURCXGMENPL-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049262 488497171 /nfs/dbraw/zinc/49/71/71/488497171.db2.gz WBPPURCXGMENPL-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049262 488497172 /nfs/dbraw/zinc/49/71/72/488497172.db2.gz WBPPURCXGMENPL-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103236760 488500577 /nfs/dbraw/zinc/50/05/77/488500577.db2.gz ZPVYXXQQUQTOTR-QGZVFWFLSA-N 2 1 365.522 0.668 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000103576709 488502698 /nfs/dbraw/zinc/50/26/98/488502698.db2.gz YIEVYTBCGQAKFD-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105223240 488508115 /nfs/dbraw/zinc/50/81/15/488508115.db2.gz CJSNURMNNHYZTD-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000563022191 491208274 /nfs/dbraw/zinc/20/82/74/491208274.db2.gz RMHRHJPJYZXMGF-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000563022191 491208276 /nfs/dbraw/zinc/20/82/76/491208276.db2.gz RMHRHJPJYZXMGF-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000563022191 491208278 /nfs/dbraw/zinc/20/82/78/491208278.db2.gz RMHRHJPJYZXMGF-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000111493353 488529630 /nfs/dbraw/zinc/52/96/30/488529630.db2.gz WJJWLHYRXRQBPF-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493353 488529631 /nfs/dbraw/zinc/52/96/31/488529631.db2.gz WJJWLHYRXRQBPF-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493353 488529632 /nfs/dbraw/zinc/52/96/32/488529632.db2.gz WJJWLHYRXRQBPF-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000111810077 488531434 /nfs/dbraw/zinc/53/14/34/488531434.db2.gz WJTMWBIRGZSUNL-HOTGVXAUSA-N 2 1 370.538 0.878 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000261699937 488531740 /nfs/dbraw/zinc/53/17/40/488531740.db2.gz OOYHFJIADFQBBJ-LBPRGKRZSA-N 2 1 363.849 0.635 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261799762 488536486 /nfs/dbraw/zinc/53/64/86/488536486.db2.gz IUXHQWXIPRSERD-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261819579 488537222 /nfs/dbraw/zinc/53/72/22/488537222.db2.gz XUGPUQDJMDIJHI-AHIWAGSCSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261819579 488537224 /nfs/dbraw/zinc/53/72/24/488537224.db2.gz XUGPUQDJMDIJHI-AHIWAGSCSA-N 2 1 368.503 0.570 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261847625 488538564 /nfs/dbraw/zinc/53/85/64/488538564.db2.gz MDWASASEQYXCCZ-DOTOQJQBSA-N 2 1 369.469 0.775 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261885995 488540233 /nfs/dbraw/zinc/54/02/33/488540233.db2.gz PXBCJWDSKQYKJE-QZWWFDLISA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114598339 488541451 /nfs/dbraw/zinc/54/14/51/488541451.db2.gz SGQMRLBSWJHEPM-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114598339 488541452 /nfs/dbraw/zinc/54/14/52/488541452.db2.gz SGQMRLBSWJHEPM-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114598339 488541455 /nfs/dbraw/zinc/54/14/55/488541455.db2.gz SGQMRLBSWJHEPM-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP C[NH+]1CCC(CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000114595444 488541738 /nfs/dbraw/zinc/54/17/38/488541738.db2.gz YNGSHUFAKKYPIA-UHFFFAOYSA-N 2 1 369.554 0.408 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000115546265 488544763 /nfs/dbraw/zinc/54/47/63/488544763.db2.gz CUWVHTOVPZILLK-UHFFFAOYSA-N 2 1 354.539 0.754 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)CC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000262187672 488556196 /nfs/dbraw/zinc/55/61/96/488556196.db2.gz RKDZINQNFLLEIJ-UHFFFAOYSA-N 2 1 350.507 0.923 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262299482 488562619 /nfs/dbraw/zinc/56/26/19/488562619.db2.gz XGUSWVSKMIXPDO-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262346365 488565008 /nfs/dbraw/zinc/56/50/08/488565008.db2.gz IOJZCCGEGILJLO-QLFBSQMISA-N 2 1 359.536 0.636 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262346365 488565009 /nfs/dbraw/zinc/56/50/09/488565009.db2.gz IOJZCCGEGILJLO-QLFBSQMISA-N 2 1 359.536 0.636 20 0 FCADMP CCC[C@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000121784819 488570828 /nfs/dbraw/zinc/57/08/28/488570828.db2.gz QQGSPUWWVNBKIA-ROUUACIJSA-N 2 1 354.539 0.972 20 0 FCADMP CCC[C@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000121784819 488570830 /nfs/dbraw/zinc/57/08/30/488570830.db2.gz QQGSPUWWVNBKIA-ROUUACIJSA-N 2 1 354.539 0.972 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000262483107 488572788 /nfs/dbraw/zinc/57/27/88/488572788.db2.gz ZSXHNMBXCXKXQQ-MRXNPFEDSA-N 2 1 367.515 0.881 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000122166736 488576322 /nfs/dbraw/zinc/57/63/22/488576322.db2.gz MTNXJYZDRVQMMW-CALCHBBNSA-N 2 1 369.554 0.811 20 0 FCADMP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262766351 488592007 /nfs/dbraw/zinc/59/20/07/488592007.db2.gz HJOUQJLNRGGASW-QGZVFWFLSA-N 2 1 350.463 0.615 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881847 488597742 /nfs/dbraw/zinc/59/77/42/488597742.db2.gz NOBKOCACKWUCBD-PBHICJAKSA-N 2 1 351.447 0.758 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881847 488597743 /nfs/dbraw/zinc/59/77/43/488597743.db2.gz NOBKOCACKWUCBD-PBHICJAKSA-N 2 1 351.447 0.758 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000126916790 488612852 /nfs/dbraw/zinc/61/28/52/488612852.db2.gz NUHJHEBRGOCQBU-HLLBOEOZSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000126916790 488612853 /nfs/dbraw/zinc/61/28/53/488612853.db2.gz NUHJHEBRGOCQBU-HLLBOEOZSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000126916790 488612854 /nfs/dbraw/zinc/61/28/54/488612854.db2.gz NUHJHEBRGOCQBU-HLLBOEOZSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000126917259 488612895 /nfs/dbraw/zinc/61/28/95/488612895.db2.gz NUHJHEBRGOCQBU-BFYDXBDKSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000126917259 488612896 /nfs/dbraw/zinc/61/28/96/488612896.db2.gz NUHJHEBRGOCQBU-BFYDXBDKSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000126917259 488612898 /nfs/dbraw/zinc/61/28/98/488612898.db2.gz NUHJHEBRGOCQBU-BFYDXBDKSA-N 2 1 365.522 0.854 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000127704817 488619388 /nfs/dbraw/zinc/61/93/88/488619388.db2.gz BIVIZWWXDFEDSX-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000127704817 488619391 /nfs/dbraw/zinc/61/93/91/488619391.db2.gz BIVIZWWXDFEDSX-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000127704817 488619392 /nfs/dbraw/zinc/61/93/92/488619392.db2.gz BIVIZWWXDFEDSX-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000263870283 488632697 /nfs/dbraw/zinc/63/26/97/488632697.db2.gz JRCBKZHJZFMJJD-UHFFFAOYSA-N 2 1 372.473 0.982 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NCCC[NH+]2CCC(O)CC2)c2ccccc2)CC1 ZINC000136133901 488676239 /nfs/dbraw/zinc/67/62/39/488676239.db2.gz QXJRHBPZAPHPRV-FQEVSTJZSA-N 2 1 374.529 0.938 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000136958686 488679811 /nfs/dbraw/zinc/67/98/11/488679811.db2.gz UGGSQASDEFATKS-RDJZCZTQSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000136958686 488679812 /nfs/dbraw/zinc/67/98/12/488679812.db2.gz UGGSQASDEFATKS-RDJZCZTQSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000136958686 488679813 /nfs/dbraw/zinc/67/98/13/488679813.db2.gz UGGSQASDEFATKS-RDJZCZTQSA-N 2 1 363.506 0.419 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C1CC1 ZINC000138950236 488683321 /nfs/dbraw/zinc/68/33/21/488683321.db2.gz OAIRQSULTFEVIA-GDBMZVCRSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[N@H+](C)C1CC1 ZINC000138950236 488683323 /nfs/dbraw/zinc/68/33/23/488683323.db2.gz OAIRQSULTFEVIA-GDBMZVCRSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[N@@H+](C)C1CC1 ZINC000138950236 488683324 /nfs/dbraw/zinc/68/33/24/488683324.db2.gz OAIRQSULTFEVIA-GDBMZVCRSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000139808518 488685452 /nfs/dbraw/zinc/68/54/52/488685452.db2.gz BHFGSTCFJUPBPF-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000139808518 488685454 /nfs/dbraw/zinc/68/54/54/488685454.db2.gz BHFGSTCFJUPBPF-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP [NH3+]CC(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000274395532 488704715 /nfs/dbraw/zinc/70/47/15/488704715.db2.gz FFMXATGRXANHCE-HNNXBMFYSA-N 2 1 352.866 0.886 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000151915258 488711269 /nfs/dbraw/zinc/71/12/69/488711269.db2.gz WUCMIGVXJDTXEG-UHFFFAOYSA-N 2 1 372.473 0.631 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)o1 ZINC000264829866 488717134 /nfs/dbraw/zinc/71/71/34/488717134.db2.gz ZVRLLEKLBLWZHM-MRXNPFEDSA-N 2 1 351.495 0.907 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153227348 488728650 /nfs/dbraw/zinc/72/86/50/488728650.db2.gz QUZCHGIZUNHJKM-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153227348 488728652 /nfs/dbraw/zinc/72/86/52/488728652.db2.gz QUZCHGIZUNHJKM-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000153594425 488733078 /nfs/dbraw/zinc/73/30/78/488733078.db2.gz MMUGJPHREAHWQA-MRXNPFEDSA-N 2 1 354.495 0.461 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922329 488736530 /nfs/dbraw/zinc/73/65/30/488736530.db2.gz ZVAQVAQLMDSYJV-CABCVRRESA-N 2 1 354.520 0.189 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922329 488736531 /nfs/dbraw/zinc/73/65/31/488736531.db2.gz ZVAQVAQLMDSYJV-CABCVRRESA-N 2 1 354.520 0.189 20 0 FCADMP COCC[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266856416 488737351 /nfs/dbraw/zinc/73/73/51/488737351.db2.gz SJNUCZXQLKKSIG-UHFFFAOYSA-N 2 1 360.502 0.989 20 0 FCADMP CNC(=O)CCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000155277015 488753649 /nfs/dbraw/zinc/75/36/49/488753649.db2.gz KPCDZQRWRMAJBG-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP CNC(=O)CCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000155277015 488753651 /nfs/dbraw/zinc/75/36/51/488753651.db2.gz KPCDZQRWRMAJBG-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155615074 488757415 /nfs/dbraw/zinc/75/74/15/488757415.db2.gz OCOSNZYGVHHJTH-AEFFLSMTSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155615074 488757417 /nfs/dbraw/zinc/75/74/17/488757417.db2.gz OCOSNZYGVHHJTH-AEFFLSMTSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155615074 488757420 /nfs/dbraw/zinc/75/74/20/488757420.db2.gz OCOSNZYGVHHJTH-AEFFLSMTSA-N 2 1 352.523 0.630 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000157379610 488770718 /nfs/dbraw/zinc/77/07/18/488770718.db2.gz APSMOZCHVUYQKY-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000157349756 488770837 /nfs/dbraw/zinc/77/08/37/488770837.db2.gz CWMAYGBDKDHMBQ-OAHLLOKOSA-N 2 1 374.489 0.384 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000157349756 488770839 /nfs/dbraw/zinc/77/08/39/488770839.db2.gz CWMAYGBDKDHMBQ-OAHLLOKOSA-N 2 1 374.489 0.384 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000161639841 488798511 /nfs/dbraw/zinc/79/85/11/488798511.db2.gz BFBKETHAIMDFMT-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000161639841 488798512 /nfs/dbraw/zinc/79/85/12/488798512.db2.gz BFBKETHAIMDFMT-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000162027102 488800137 /nfs/dbraw/zinc/80/01/37/488800137.db2.gz WCBFMPNOQVDZFH-UHFFFAOYSA-N 2 1 362.478 0.643 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000165806022 488811132 /nfs/dbraw/zinc/81/11/32/488811132.db2.gz XZBUUBOHHIWRKV-QGZVFWFLSA-N 2 1 360.458 0.320 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000563153015 491222855 /nfs/dbraw/zinc/22/28/55/491222855.db2.gz GUMCZKDFNSOCEX-UHFFFAOYSA-N 2 1 354.476 0.512 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000168016023 488812438 /nfs/dbraw/zinc/81/24/38/488812438.db2.gz GYKXZEPRGAHXLX-CYBMUJFWSA-N 2 1 350.467 0.304 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000168016023 488812440 /nfs/dbraw/zinc/81/24/40/488812440.db2.gz GYKXZEPRGAHXLX-CYBMUJFWSA-N 2 1 350.467 0.304 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000554749602 491223153 /nfs/dbraw/zinc/22/31/53/491223153.db2.gz WMMXJRLMVUZUNA-HNNXBMFYSA-N 2 1 364.465 0.914 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171779392 488827209 /nfs/dbraw/zinc/82/72/09/488827209.db2.gz VHILLDJJDDIMIS-UHFFFAOYSA-N 2 1 366.506 0.256 20 0 FCADMP C[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000172624401 488836064 /nfs/dbraw/zinc/83/60/64/488836064.db2.gz UUKICFLEYRFPPS-KRWDZBQOSA-N 2 1 368.522 0.709 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736422 488837026 /nfs/dbraw/zinc/83/70/26/488837026.db2.gz XFRMRUKAFYZIKW-RDJZCZTQSA-N 2 1 360.458 0.653 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736422 488837027 /nfs/dbraw/zinc/83/70/27/488837027.db2.gz XFRMRUKAFYZIKW-RDJZCZTQSA-N 2 1 360.458 0.653 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736422 488837028 /nfs/dbraw/zinc/83/70/28/488837028.db2.gz XFRMRUKAFYZIKW-RDJZCZTQSA-N 2 1 360.458 0.653 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736422 488837029 /nfs/dbraw/zinc/83/70/29/488837029.db2.gz XFRMRUKAFYZIKW-RDJZCZTQSA-N 2 1 360.458 0.653 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000173533133 488843217 /nfs/dbraw/zinc/84/32/17/488843217.db2.gz OGFQQSSMUSBETL-SFHVURJKSA-N 2 1 356.511 0.491 20 0 FCADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173793558 488845394 /nfs/dbraw/zinc/84/53/94/488845394.db2.gz JFDOWZILZUXIJH-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173793558 488845395 /nfs/dbraw/zinc/84/53/95/488845395.db2.gz JFDOWZILZUXIJH-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)CN1CC[NH+](C)CC1 ZINC000174918436 488852241 /nfs/dbraw/zinc/85/22/41/488852241.db2.gz TVXOJPIMMPJSNH-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175551671 488854328 /nfs/dbraw/zinc/85/43/28/488854328.db2.gz NPSQNUOOOWZKGO-SFHVURJKSA-N 2 1 369.554 0.668 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000178151974 488860059 /nfs/dbraw/zinc/86/00/59/488860059.db2.gz BUUVAYDXDNKTAS-KRWDZBQOSA-N 2 1 366.506 0.254 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000178151974 488860060 /nfs/dbraw/zinc/86/00/60/488860060.db2.gz BUUVAYDXDNKTAS-KRWDZBQOSA-N 2 1 366.506 0.254 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000181062309 488862954 /nfs/dbraw/zinc/86/29/54/488862954.db2.gz HLXWGGJHEUTYOW-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000181062309 488862955 /nfs/dbraw/zinc/86/29/55/488862955.db2.gz HLXWGGJHEUTYOW-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000554809135 491226782 /nfs/dbraw/zinc/22/67/82/491226782.db2.gz CMNKWFDBNMTTLY-UXLLHSPISA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000554809135 491226784 /nfs/dbraw/zinc/22/67/84/491226784.db2.gz CMNKWFDBNMTTLY-UXLLHSPISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@H+]1C1CC1 ZINC000570245343 491227521 /nfs/dbraw/zinc/22/75/21/491227521.db2.gz VWXGZWKQLWQQHS-CABCVRRESA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245343 491227523 /nfs/dbraw/zinc/22/75/23/491227523.db2.gz VWXGZWKQLWQQHS-CABCVRRESA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245343 491227526 /nfs/dbraw/zinc/22/75/26/491227526.db2.gz VWXGZWKQLWQQHS-CABCVRRESA-N 2 1 366.506 0.033 20 0 FCADMP CN(CCC[N@@H+](C)CC(=O)NCCOc1ccccc1)CC[NH+](C)C ZINC000288779896 489015005 /nfs/dbraw/zinc/01/50/05/489015005.db2.gz BPLHRZFHLCNKMV-UHFFFAOYSA-N 2 1 350.507 0.997 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364991748 489027007 /nfs/dbraw/zinc/02/70/07/489027007.db2.gz LMWDIDJWKMQEBQ-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[NH+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329771197 489034345 /nfs/dbraw/zinc/03/43/45/489034345.db2.gz JPHACQIQNBEXFF-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184378 489047528 /nfs/dbraw/zinc/04/75/28/489047528.db2.gz NHXMXPLLHOUFJP-ZWKOTPCHSA-N 2 1 366.506 0.603 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000289336615 489059993 /nfs/dbraw/zinc/05/99/93/489059993.db2.gz WHBZAKSFIXPJBT-HXUWFJFHSA-N 2 1 371.529 0.554 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000365328891 489064136 /nfs/dbraw/zinc/06/41/36/489064136.db2.gz GIEVAIPNFNBUSZ-IXDOHACOSA-N 2 1 360.458 0.514 20 0 FCADMP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000365339665 489065587 /nfs/dbraw/zinc/06/55/87/489065587.db2.gz ULLPESVEPSMOFL-KRWDZBQOSA-N 2 1 353.511 0.034 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298784 489088908 /nfs/dbraw/zinc/08/89/08/489088908.db2.gz HPKVNYGUGLDDAY-HOTGVXAUSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc2)CC1 ZINC000289763969 489091374 /nfs/dbraw/zinc/09/13/74/489091374.db2.gz ICTRDXJMRITOIT-VQTJNVASSA-N 2 1 371.529 0.481 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000668332677 493332740 /nfs/dbraw/zinc/33/27/40/493332740.db2.gz UFTJXKMESJLGDW-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000290218490 489122258 /nfs/dbraw/zinc/12/22/58/489122258.db2.gz SUWVVJOJLBJAHV-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000290218494 489122277 /nfs/dbraw/zinc/12/22/77/489122277.db2.gz SUWVVJOJLBJAHV-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000365976752 489131615 /nfs/dbraw/zinc/13/16/15/489131615.db2.gz DVBBWBJVKQKDQA-OALUTQOASA-N 2 1 361.486 0.979 20 0 FCADMP COC(=O)[C@]1(C)CC[N@@H+](CCOCC[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136910 /nfs/dbraw/zinc/13/69/10/489136910.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 2 1 356.463 0.773 20 0 FCADMP COC(=O)[C@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136914 /nfs/dbraw/zinc/13/69/14/489136914.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 2 1 356.463 0.773 20 0 FCADMP COC(=O)[C@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136917 /nfs/dbraw/zinc/13/69/17/489136917.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 2 1 356.463 0.773 20 0 FCADMP CO[C@H](C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000282269369 489150146 /nfs/dbraw/zinc/15/01/46/489150146.db2.gz ULDNTQPWSSKBBQ-OAHLLOKOSA-N 2 1 356.492 0.548 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366238651 489161659 /nfs/dbraw/zinc/16/16/59/489161659.db2.gz DZQSLLRJGOWHAT-IAGOWNOFSA-N 2 1 356.511 0.897 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366238651 489161662 /nfs/dbraw/zinc/16/16/62/489161662.db2.gz DZQSLLRJGOWHAT-IAGOWNOFSA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000366242772 489162387 /nfs/dbraw/zinc/16/23/87/489162387.db2.gz CADJHMLISAAPJB-IRXDYDNUSA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366242772 489162392 /nfs/dbraw/zinc/16/23/92/489162392.db2.gz CADJHMLISAAPJB-IRXDYDNUSA-N 2 1 356.511 0.897 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403884 489192954 /nfs/dbraw/zinc/19/29/54/489192954.db2.gz IVYJSXOPQNRGJO-WOJBJXKFSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403884 489192955 /nfs/dbraw/zinc/19/29/55/489192955.db2.gz IVYJSXOPQNRGJO-WOJBJXKFSA-N 2 1 374.529 0.938 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000331376169 489203284 /nfs/dbraw/zinc/20/32/84/489203284.db2.gz DWMCPTNSLOAXNV-LVQVYYBASA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331386328 489204561 /nfs/dbraw/zinc/20/45/61/489204561.db2.gz IAFQLQAPBZAQHA-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000331447068 489212590 /nfs/dbraw/zinc/21/25/90/489212590.db2.gz CFFKYZGJSJIRIR-QXSJWSMHSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C[C@H](C)[N@H+]1C ZINC000332484579 489219172 /nfs/dbraw/zinc/21/91/72/489219172.db2.gz AOPWWPSVXKKCQX-WTTBNOFXSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C[C@H](C)[N@@H+]1C ZINC000332484579 489219175 /nfs/dbraw/zinc/21/91/75/489219175.db2.gz AOPWWPSVXKKCQX-WTTBNOFXSA-N 2 1 366.506 0.282 20 0 FCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451285 491241787 /nfs/dbraw/zinc/24/17/87/491241787.db2.gz FXBRUTAPDXIHHH-CVEARBPZSA-N 2 1 367.490 0.618 20 0 FCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451285 491241789 /nfs/dbraw/zinc/24/17/89/491241789.db2.gz FXBRUTAPDXIHHH-CVEARBPZSA-N 2 1 367.490 0.618 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501421 489266725 /nfs/dbraw/zinc/26/67/25/489266725.db2.gz PPORNQPCPUQHQT-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501421 489266728 /nfs/dbraw/zinc/26/67/28/489266728.db2.gz PPORNQPCPUQHQT-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501421 489266731 /nfs/dbraw/zinc/26/67/31/489266731.db2.gz PPORNQPCPUQHQT-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863058 489283765 /nfs/dbraw/zinc/28/37/65/489283765.db2.gz QKTDWZGDZMDXIS-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369863058 489283767 /nfs/dbraw/zinc/28/37/67/489283767.db2.gz QKTDWZGDZMDXIS-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369863058 489283770 /nfs/dbraw/zinc/28/37/70/489283770.db2.gz QKTDWZGDZMDXIS-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297993 489340432 /nfs/dbraw/zinc/34/04/32/489340432.db2.gz HJMAWARMQONOLR-IAGOWNOFSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000286060636 489351724 /nfs/dbraw/zinc/35/17/24/489351724.db2.gz VYNBWZQPVXOYJB-CQSZACIVSA-N 2 1 364.494 0.339 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286060636 489351725 /nfs/dbraw/zinc/35/17/25/489351725.db2.gz VYNBWZQPVXOYJB-CQSZACIVSA-N 2 1 364.494 0.339 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286060636 489351726 /nfs/dbraw/zinc/35/17/26/489351726.db2.gz VYNBWZQPVXOYJB-CQSZACIVSA-N 2 1 364.494 0.339 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc(Cl)c1 ZINC000570583219 491251019 /nfs/dbraw/zinc/25/10/19/491251019.db2.gz ZBRIPXVGFORTAG-KKUMJFAQSA-N 2 1 350.850 0.713 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000563553054 491254702 /nfs/dbraw/zinc/25/47/02/491254702.db2.gz IXLWOSDTIAUUNP-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363080832 489421376 /nfs/dbraw/zinc/42/13/76/489421376.db2.gz AXEZGNQCJDDSGT-UHFFFAOYSA-N 2 1 355.479 0.442 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563610325 491258034 /nfs/dbraw/zinc/25/80/34/491258034.db2.gz RWWDKSJSEOSCPB-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000363284638 489448019 /nfs/dbraw/zinc/44/80/19/489448019.db2.gz REHHIUOBUNDHIX-UHFFFAOYSA-N 2 1 374.445 0.599 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000363284638 489448021 /nfs/dbraw/zinc/44/80/21/489448021.db2.gz REHHIUOBUNDHIX-UHFFFAOYSA-N 2 1 374.445 0.599 20 0 FCADMP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NCC[NH+]1CCSCC1 ZINC000563612710 491258462 /nfs/dbraw/zinc/25/84/62/491258462.db2.gz GWCXZKZCDGRPSQ-UHFFFAOYSA-N 2 1 370.563 0.924 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363389899 489461239 /nfs/dbraw/zinc/46/12/39/489461239.db2.gz OCKMZEYDEGCGNV-ROUUACIJSA-N 3 1 369.554 0.765 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271462 489472247 /nfs/dbraw/zinc/47/22/47/489472247.db2.gz RATUODGLXANQPZ-LPHOPBHVSA-N 2 1 362.449 0.702 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539933 489477494 /nfs/dbraw/zinc/47/74/94/489477494.db2.gz QNWFHUICNAXBRU-ROUUACIJSA-N 2 1 351.539 0.251 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539933 489477495 /nfs/dbraw/zinc/47/74/95/489477495.db2.gz QNWFHUICNAXBRU-ROUUACIJSA-N 2 1 351.539 0.251 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000371346204 489479210 /nfs/dbraw/zinc/47/92/10/489479210.db2.gz VTJYFGYAAKPMMI-OAHLLOKOSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578479 489480630 /nfs/dbraw/zinc/48/06/30/489480630.db2.gz OIJYJHJNEXQORU-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000563594949 491256892 /nfs/dbraw/zinc/25/68/92/491256892.db2.gz DDCDUGUQMUEFAT-QGZVFWFLSA-N 2 1 373.501 0.582 20 0 FCADMP CC(C)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC000371638836 489491555 /nfs/dbraw/zinc/49/15/55/489491555.db2.gz VFZJHJUJJCDVIU-OAHLLOKOSA-N 2 1 351.495 0.417 20 0 FCADMP CC(C)N1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000371638836 489491556 /nfs/dbraw/zinc/49/15/56/489491556.db2.gz VFZJHJUJJCDVIU-OAHLLOKOSA-N 2 1 351.495 0.417 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423091044 489493097 /nfs/dbraw/zinc/49/30/97/489493097.db2.gz ZAXCDHOCBKXFHS-MRXNPFEDSA-N 2 1 354.495 0.143 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423104454 489493657 /nfs/dbraw/zinc/49/36/57/489493657.db2.gz BKUZHERJEKNWBR-CQSZACIVSA-N 2 1 350.488 0.385 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145574 489496705 /nfs/dbraw/zinc/49/67/05/489496705.db2.gz LJEJGBZZWXKXCV-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000423174837 489499785 /nfs/dbraw/zinc/49/97/85/489499785.db2.gz CEUAVHUKHQETEM-OAGGEKHMSA-N 2 1 364.490 0.051 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423186154 489500669 /nfs/dbraw/zinc/50/06/69/489500669.db2.gz KLVQDFDXNRKFHL-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423186154 489500672 /nfs/dbraw/zinc/50/06/72/489500672.db2.gz KLVQDFDXNRKFHL-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000423192728 489501544 /nfs/dbraw/zinc/50/15/44/489501544.db2.gz VXUOQIWUHDGARZ-KLHDSHLOSA-N 2 1 352.479 0.036 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)C1 ZINC000451719337 489519410 /nfs/dbraw/zinc/51/94/10/489519410.db2.gz XEXAGARAQRVGCZ-NCXUSEDFSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)C1 ZINC000451719337 489519411 /nfs/dbraw/zinc/51/94/11/489519411.db2.gz XEXAGARAQRVGCZ-NCXUSEDFSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)C1 ZINC000451719337 489519415 /nfs/dbraw/zinc/51/94/15/489519415.db2.gz XEXAGARAQRVGCZ-NCXUSEDFSA-N 2 1 367.534 0.942 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949405 489527622 /nfs/dbraw/zinc/52/76/22/489527622.db2.gz VHDJDTCOOLPUBQ-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000415571787 489531920 /nfs/dbraw/zinc/53/19/20/489531920.db2.gz UHNARBFOAXLHLY-CHWSQXEVSA-N 2 1 361.446 0.334 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000425865425 489535713 /nfs/dbraw/zinc/53/57/13/489535713.db2.gz DFESNTKACHSRDW-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000425865425 489535716 /nfs/dbraw/zinc/53/57/16/489535716.db2.gz DFESNTKACHSRDW-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748339 491261696 /nfs/dbraw/zinc/26/16/96/491261696.db2.gz AFFWPPHMCFCZBA-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415831989 489556871 /nfs/dbraw/zinc/55/68/71/489556871.db2.gz PXFHYLWKRCVVPN-JKIFEVAISA-N 2 1 360.458 0.824 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372221324 489560498 /nfs/dbraw/zinc/56/04/98/489560498.db2.gz IFYVMYVWFWQZQB-BRWVUGGUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372221324 489560500 /nfs/dbraw/zinc/56/05/00/489560500.db2.gz IFYVMYVWFWQZQB-BRWVUGGUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372221324 489560504 /nfs/dbraw/zinc/56/05/04/489560504.db2.gz IFYVMYVWFWQZQB-BRWVUGGUSA-N 2 1 353.511 0.175 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372234191 489562358 /nfs/dbraw/zinc/56/23/58/489562358.db2.gz SVVTYEDWMVOMAE-SJORKVTESA-N 2 1 368.522 0.849 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372234191 489562360 /nfs/dbraw/zinc/56/23/60/489562360.db2.gz SVVTYEDWMVOMAE-SJORKVTESA-N 2 1 368.522 0.849 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004573 489567311 /nfs/dbraw/zinc/56/73/11/489567311.db2.gz IQPCKTFNZYZUPG-NWDGAFQWSA-N 2 1 367.416 0.508 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000416185223 489573461 /nfs/dbraw/zinc/57/34/61/489573461.db2.gz SYRANTGOPXBJKO-GQGLESIBSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000416185223 489573464 /nfs/dbraw/zinc/57/34/64/489573464.db2.gz SYRANTGOPXBJKO-GQGLESIBSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCC1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000416185223 489573465 /nfs/dbraw/zinc/57/34/65/489573465.db2.gz SYRANTGOPXBJKO-GQGLESIBSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000372399862 489581161 /nfs/dbraw/zinc/58/11/61/489581161.db2.gz WVIMTUCMNFPETM-QXAKKESOSA-N 2 1 360.502 0.845 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000372509965 489592100 /nfs/dbraw/zinc/59/21/00/489592100.db2.gz ZPFYSGDBWRKTNB-PXNSSMCTSA-N 2 1 356.470 0.447 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000455476985 489593327 /nfs/dbraw/zinc/59/33/27/489593327.db2.gz PEXAHNUOCODVBD-HNSVSWJLSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000455476985 489593331 /nfs/dbraw/zinc/59/33/31/489593331.db2.gz PEXAHNUOCODVBD-HNSVSWJLSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000455476985 489593332 /nfs/dbraw/zinc/59/33/32/489593332.db2.gz PEXAHNUOCODVBD-HNSVSWJLSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000455476985 489593335 /nfs/dbraw/zinc/59/33/35/489593335.db2.gz PEXAHNUOCODVBD-HNSVSWJLSA-N 2 1 352.479 0.890 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000563725259 491265694 /nfs/dbraw/zinc/26/56/94/491265694.db2.gz KVHMXWXUTKHXMG-PXNSSMCTSA-N 2 1 358.486 0.867 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000372581882 489603613 /nfs/dbraw/zinc/60/36/13/489603613.db2.gz APTTXKBXSLPALW-XSYGEPLQSA-N 2 1 370.497 0.643 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372649745 489615326 /nfs/dbraw/zinc/61/53/26/489615326.db2.gz OMCUKDDZHBOMBT-ZCNNSNEGSA-N 2 1 373.497 0.945 20 0 FCADMP CC(C)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000563742875 491266651 /nfs/dbraw/zinc/26/66/51/491266651.db2.gz IAFJCNPVFPEDQC-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000563742875 491266655 /nfs/dbraw/zinc/26/66/55/491266655.db2.gz IAFJCNPVFPEDQC-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP CC(CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427774812 489620401 /nfs/dbraw/zinc/62/04/01/489620401.db2.gz BKZARQYBIORIMF-USTZCAOPSA-N 2 1 362.518 0.443 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676040 489622399 /nfs/dbraw/zinc/62/23/99/489622399.db2.gz XNGGGVZJIFCTRZ-SOLBZPMBSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372676040 489622400 /nfs/dbraw/zinc/62/24/00/489622400.db2.gz XNGGGVZJIFCTRZ-SOLBZPMBSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372676040 489622402 /nfs/dbraw/zinc/62/24/02/489622402.db2.gz XNGGGVZJIFCTRZ-SOLBZPMBSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C[C@H](C)C1 ZINC000456691961 489622913 /nfs/dbraw/zinc/62/29/13/489622913.db2.gz DQQCINIHYRHVFG-TXTZMMAHSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C[C@H](C)C1 ZINC000456691961 489622915 /nfs/dbraw/zinc/62/29/15/489622915.db2.gz DQQCINIHYRHVFG-TXTZMMAHSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C[C@H](C)C1 ZINC000456691961 489622917 /nfs/dbraw/zinc/62/29/17/489622917.db2.gz DQQCINIHYRHVFG-TXTZMMAHSA-N 2 1 364.534 0.689 20 0 FCADMP CC1CC[NH+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000416874256 489632333 /nfs/dbraw/zinc/63/23/33/489632333.db2.gz PCGVYIINZWPKPH-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP COC[C@]1(CNC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000416933702 489633950 /nfs/dbraw/zinc/63/39/50/489633950.db2.gz BMZGOKWRGBIDEM-FUHWJXTLSA-N 2 1 356.511 0.801 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCC[C@@H](C)C1 ZINC000417027553 489639218 /nfs/dbraw/zinc/63/92/18/489639218.db2.gz ZXXZIHRLJFYTSW-BZUAXINKSA-N 2 1 353.511 0.603 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417048171 489639694 /nfs/dbraw/zinc/63/96/94/489639694.db2.gz FHYCKGIREHLIBD-OAHLLOKOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049772 489639830 /nfs/dbraw/zinc/63/98/30/489639830.db2.gz VCJGDZGUHDBRLD-SJORKVTESA-N 2 1 367.538 0.995 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049771 489639848 /nfs/dbraw/zinc/63/98/48/489639848.db2.gz VCJGDZGUHDBRLD-IRXDYDNUSA-N 2 1 367.538 0.995 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417079745 489640434 /nfs/dbraw/zinc/64/04/34/489640434.db2.gz VYBKAVFSLCKGBS-GXTWGEPZSA-N 2 1 363.428 0.606 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853738 489644736 /nfs/dbraw/zinc/64/47/36/489644736.db2.gz AXYAWXMZJKHWLR-QZTJIDSGSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853738 489644739 /nfs/dbraw/zinc/64/47/39/489644739.db2.gz AXYAWXMZJKHWLR-QZTJIDSGSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000372853738 489644740 /nfs/dbraw/zinc/64/47/40/489644740.db2.gz AXYAWXMZJKHWLR-QZTJIDSGSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000372853738 489644743 /nfs/dbraw/zinc/64/47/43/489644743.db2.gz AXYAWXMZJKHWLR-QZTJIDSGSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457509471 489647216 /nfs/dbraw/zinc/64/72/16/489647216.db2.gz DKOQLAQDFIXODB-HNNXBMFYSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1[NH3+] ZINC000417383748 489650517 /nfs/dbraw/zinc/65/05/17/489650517.db2.gz KQDZIJUCCNJRPM-AEFFLSMTSA-N 2 1 360.506 0.972 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417426687 489651449 /nfs/dbraw/zinc/65/14/49/489651449.db2.gz HFPHEBWTXURPLP-HOTGVXAUSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000457635110 489652368 /nfs/dbraw/zinc/65/23/68/489652368.db2.gz IXXHDOOGWSFBQK-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457635110 489652372 /nfs/dbraw/zinc/65/23/72/489652372.db2.gz IXXHDOOGWSFBQK-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000457635110 489652376 /nfs/dbraw/zinc/65/23/76/489652376.db2.gz IXXHDOOGWSFBQK-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417429826 489652584 /nfs/dbraw/zinc/65/25/84/489652584.db2.gz NXPJUURGAXYHJL-ARFHVFGLSA-N 2 1 353.511 0.616 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417431056 489652828 /nfs/dbraw/zinc/65/28/28/489652828.db2.gz QKHCNZLOJLURAO-CVEARBPZSA-N 2 1 355.527 0.944 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417436226 489653487 /nfs/dbraw/zinc/65/34/87/489653487.db2.gz ZNDKBLUWZNFWHD-QAPCUYQASA-N 2 1 353.511 0.618 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511058 489656820 /nfs/dbraw/zinc/65/68/20/489656820.db2.gz YCZSIBRFKWKZQV-RTBURBONSA-N 2 1 359.518 0.754 20 0 FCADMP C[N@@H+](CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC000417508368 489657060 /nfs/dbraw/zinc/65/70/60/489657060.db2.gz PNBIJTNDTXRFGA-AEFFLSMTSA-N 2 1 365.522 0.807 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000417543687 489657669 /nfs/dbraw/zinc/65/76/69/489657669.db2.gz GHUOZRRLQSKRBI-ZWKOTPCHSA-N 2 1 373.501 0.935 20 0 FCADMP CC(C)([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417549562 489658078 /nfs/dbraw/zinc/65/80/78/489658078.db2.gz TYKZFUDCDSTPEL-INIZCTEOSA-N 2 1 361.490 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551629 489658403 /nfs/dbraw/zinc/65/84/03/489658403.db2.gz OEVKURMRZVQKKC-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C3)c2)C1 ZINC000417550103 489658507 /nfs/dbraw/zinc/65/85/07/489658507.db2.gz UMBJUYFTRJICJT-DLBZAZTESA-N 2 1 359.474 0.545 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417577500 489658691 /nfs/dbraw/zinc/65/86/91/489658691.db2.gz LTMQLEJYTHULBB-INIZCTEOSA-N 2 1 353.511 0.746 20 0 FCADMP [NH3+]C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000417643426 489660047 /nfs/dbraw/zinc/66/00/47/489660047.db2.gz CKIYWDIFAGTNJC-GOSISDBHSA-N 2 1 369.554 0.583 20 0 FCADMP COc1cc(NC(=O)N2CC[NH+](CCO)CC2)ccc1OCC[NH+](C)C ZINC000417649546 489660202 /nfs/dbraw/zinc/66/02/02/489660202.db2.gz JPDWCOBXFJMMPA-UHFFFAOYSA-N 2 1 366.462 0.777 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000417674323 489661135 /nfs/dbraw/zinc/66/11/35/489661135.db2.gz YWYVWJMNXOWMKM-ZDUSSCGKSA-N 2 1 350.463 0.956 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000417674323 489661137 /nfs/dbraw/zinc/66/11/37/489661137.db2.gz YWYVWJMNXOWMKM-ZDUSSCGKSA-N 2 1 350.463 0.956 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000457928027 489663812 /nfs/dbraw/zinc/66/38/12/489663812.db2.gz IRMWIKMWBSZWCS-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000457928027 489663813 /nfs/dbraw/zinc/66/38/13/489663813.db2.gz IRMWIKMWBSZWCS-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417744558 489664128 /nfs/dbraw/zinc/66/41/28/489664128.db2.gz NCWNAVQFZBRPMM-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417751630 489664237 /nfs/dbraw/zinc/66/42/37/489664237.db2.gz ZEMKVHMBUUCQAD-SJORKVTESA-N 2 1 360.506 0.891 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417804757 489665991 /nfs/dbraw/zinc/66/59/91/489665991.db2.gz ZLDWMPKITJJHBK-SJORKVTESA-N 2 1 365.522 0.747 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867466 489668921 /nfs/dbraw/zinc/66/89/21/489668921.db2.gz DIINYSAIVAMYMD-HOTGVXAUSA-N 2 1 353.511 0.461 20 0 FCADMP O=S(=O)(N[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1)c1cccc(F)c1 ZINC000563811843 491270411 /nfs/dbraw/zinc/27/04/11/491270411.db2.gz PUGFNHFQCMIQIT-MRXNPFEDSA-N 2 1 370.494 0.474 20 0 FCADMP O=S(=O)(N[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1)c1cccc(F)c1 ZINC000563811843 491270413 /nfs/dbraw/zinc/27/04/13/491270413.db2.gz PUGFNHFQCMIQIT-MRXNPFEDSA-N 2 1 370.494 0.474 20 0 FCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000458411122 489682126 /nfs/dbraw/zinc/68/21/26/489682126.db2.gz AQLDUSALITTWIM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000458411122 489682128 /nfs/dbraw/zinc/68/21/28/489682128.db2.gz AQLDUSALITTWIM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000458411122 489682129 /nfs/dbraw/zinc/68/21/29/489682129.db2.gz AQLDUSALITTWIM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000418172960 489682383 /nfs/dbraw/zinc/68/23/83/489682383.db2.gz BMAPYGXUVFMDFW-ZCRFILTFSA-N 2 1 365.522 0.839 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418186950 489683706 /nfs/dbraw/zinc/68/37/06/489683706.db2.gz UUWMGAKRBOIILV-AKBNIOSXSA-N 2 1 365.522 0.981 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000418273418 489686555 /nfs/dbraw/zinc/68/65/55/489686555.db2.gz XCGARBPPZLOGRJ-INIZCTEOSA-N 2 1 353.511 0.890 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000418303643 489690125 /nfs/dbraw/zinc/69/01/25/489690125.db2.gz WFDOPHITSDRADZ-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCCOCC1 ZINC000458840023 489705590 /nfs/dbraw/zinc/70/55/90/489705590.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 3 1 369.554 0.766 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458840023 489705593 /nfs/dbraw/zinc/70/55/93/489705593.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 3 1 369.554 0.766 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458840023 489705594 /nfs/dbraw/zinc/70/55/94/489705594.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 3 1 369.554 0.766 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCOCC1 ZINC000458840023 489705595 /nfs/dbraw/zinc/70/55/95/489705595.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCOCC1 ZINC000458840023 489705598 /nfs/dbraw/zinc/70/55/98/489705598.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418590019 489708763 /nfs/dbraw/zinc/70/87/63/489708763.db2.gz BCZYCDYGUCEQRQ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418590019 489708766 /nfs/dbraw/zinc/70/87/66/489708766.db2.gz BCZYCDYGUCEQRQ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP COCC1(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000418619838 489711413 /nfs/dbraw/zinc/71/14/13/489711413.db2.gz CJPXDXHZHNEJCB-IYBDPMFKSA-N 2 1 356.511 0.753 20 0 FCADMP COCC1(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000418619838 489711415 /nfs/dbraw/zinc/71/14/15/489711415.db2.gz CJPXDXHZHNEJCB-IYBDPMFKSA-N 2 1 356.511 0.753 20 0 FCADMP C[NH2+][C@@H](C)CNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418634074 489713377 /nfs/dbraw/zinc/71/33/77/489713377.db2.gz YFXBEWQGNUPBOX-HRCADAONSA-N 2 1 356.511 0.894 20 0 FCADMP C[NH2+][C@@H](C)CNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418634074 489713381 /nfs/dbraw/zinc/71/33/81/489713381.db2.gz YFXBEWQGNUPBOX-HRCADAONSA-N 2 1 356.511 0.894 20 0 FCADMP COC[C@@]1(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CCC[NH2+]1 ZINC000418654171 489716877 /nfs/dbraw/zinc/71/68/77/489716877.db2.gz LWQGRPQYAZRWCR-YOEHRIQHSA-N 2 1 356.467 0.034 20 0 FCADMP COC[C@@]1(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CCC[NH2+]1 ZINC000418654171 489716882 /nfs/dbraw/zinc/71/68/82/489716882.db2.gz LWQGRPQYAZRWCR-YOEHRIQHSA-N 2 1 356.467 0.034 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686641 489718061 /nfs/dbraw/zinc/71/80/61/489718061.db2.gz PJKXPQZVDUVQRK-BBWFWOEESA-N 2 1 359.474 0.381 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000555805746 491274088 /nfs/dbraw/zinc/27/40/88/491274088.db2.gz WWUXSXLFGZSNFI-ARFHVFGLSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000555805746 491274090 /nfs/dbraw/zinc/27/40/90/491274090.db2.gz WWUXSXLFGZSNFI-ARFHVFGLSA-N 2 1 370.538 0.837 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)C1 ZINC000418786042 489726705 /nfs/dbraw/zinc/72/67/05/489726705.db2.gz HWDRERSQLAQCBV-LVQVYYBASA-N 2 1 352.479 0.653 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)C1 ZINC000418786042 489726707 /nfs/dbraw/zinc/72/67/07/489726707.db2.gz HWDRERSQLAQCBV-LVQVYYBASA-N 2 1 352.479 0.653 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000418824507 489740070 /nfs/dbraw/zinc/74/00/70/489740070.db2.gz SRHWCBGSPZCNNB-FHLIZLRMSA-N 2 1 369.469 0.897 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829371 489742367 /nfs/dbraw/zinc/74/23/67/489742367.db2.gz IOPSDYBYKKSRNU-ZFWWWQNUSA-N 2 1 350.463 0.893 20 0 FCADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1C[NH3+] ZINC000430571413 489747484 /nfs/dbraw/zinc/74/74/84/489747484.db2.gz CUCQXAMPXTWRCJ-DOMZBBRYSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1C[NH3+] ZINC000430571413 489747486 /nfs/dbraw/zinc/74/74/86/489747486.db2.gz CUCQXAMPXTWRCJ-DOMZBBRYSA-N 2 1 354.476 0.722 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459713736 489749459 /nfs/dbraw/zinc/74/94/59/489749459.db2.gz UQZFXXKYSXYHRW-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459713736 489749464 /nfs/dbraw/zinc/74/94/64/489749464.db2.gz UQZFXXKYSXYHRW-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459713736 489749467 /nfs/dbraw/zinc/74/94/67/489749467.db2.gz UQZFXXKYSXYHRW-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459713736 489749472 /nfs/dbraw/zinc/74/94/72/489749472.db2.gz UQZFXXKYSXYHRW-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)O1 ZINC000570958660 491276386 /nfs/dbraw/zinc/27/63/86/491276386.db2.gz JQQVOFZWSGRSBC-QLFBSQMISA-N 2 1 350.467 0.341 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)O1 ZINC000570958660 491276389 /nfs/dbraw/zinc/27/63/89/491276389.db2.gz JQQVOFZWSGRSBC-QLFBSQMISA-N 2 1 350.467 0.341 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000430602855 489750687 /nfs/dbraw/zinc/75/06/87/489750687.db2.gz MDYAWSBSOLAMTD-OAHLLOKOSA-N 2 1 364.515 0.810 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430605936 489752116 /nfs/dbraw/zinc/75/21/16/489752116.db2.gz TWYSFAQDISJFMR-IHRRRGAJSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430605936 489752120 /nfs/dbraw/zinc/75/21/20/489752120.db2.gz TWYSFAQDISJFMR-IHRRRGAJSA-N 2 1 368.503 0.570 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000418846969 489754365 /nfs/dbraw/zinc/75/43/65/489754365.db2.gz ZLCGORARMUHWKS-MRXNPFEDSA-N 2 1 360.458 0.959 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000418850040 489755725 /nfs/dbraw/zinc/75/57/25/489755725.db2.gz NLLOLWXKIFRPSG-GJZGRUSLSA-N 2 1 350.463 0.514 20 0 FCADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621073 489755889 /nfs/dbraw/zinc/75/58/89/489755889.db2.gz CXCJIRCJRDOUDZ-INIZCTEOSA-N 2 1 354.495 0.063 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621364 489756183 /nfs/dbraw/zinc/75/61/83/489756183.db2.gz JCWKZNLQVUDMAU-MRXNPFEDSA-N 2 1 369.473 0.349 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620182 489756606 /nfs/dbraw/zinc/75/66/06/489756606.db2.gz BVUUFCXCJVXFRV-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640878 489760547 /nfs/dbraw/zinc/76/05/47/489760547.db2.gz LFNQHUFXSYEMAC-PKOBYXMFSA-N 2 1 372.513 0.878 20 0 FCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638082 489761064 /nfs/dbraw/zinc/76/10/64/489761064.db2.gz CBXSOOQWGNFFSN-WBVHZDCISA-N 2 1 374.489 0.059 20 0 FCADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651629 489763750 /nfs/dbraw/zinc/76/37/50/489763750.db2.gz WDRJVVMDDFOXHN-KRWDZBQOSA-N 2 1 368.522 0.309 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430711232 489765527 /nfs/dbraw/zinc/76/55/27/489765527.db2.gz DQZZUUSKGSGKPD-GOSISDBHSA-N 2 1 362.474 0.754 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000418874529 489769911 /nfs/dbraw/zinc/76/99/11/489769911.db2.gz ZYVWTTYIAWOXNA-JKSUJKDBSA-N 2 1 368.522 0.498 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418876557 489770700 /nfs/dbraw/zinc/77/07/00/489770700.db2.gz GOYBJRSXJQDDHM-RISCZKNCSA-N 2 1 356.829 0.663 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418877447 489770888 /nfs/dbraw/zinc/77/08/88/489770888.db2.gz IYEKTAUQENFMGN-OAGGEKHMSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418883336 489774007 /nfs/dbraw/zinc/77/40/07/489774007.db2.gz UYIRKJBZGRQLKP-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000430877347 489774412 /nfs/dbraw/zinc/77/44/12/489774412.db2.gz XADZRICQWUIWBU-NVXWUHKLSA-N 2 1 362.474 0.754 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000430877347 489774416 /nfs/dbraw/zinc/77/44/16/489774416.db2.gz XADZRICQWUIWBU-NVXWUHKLSA-N 2 1 362.474 0.754 20 0 FCADMP CN1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000459868599 489774482 /nfs/dbraw/zinc/77/44/82/489774482.db2.gz AZNKULZDUCKRFF-SQNIBIBYSA-N 2 1 356.470 0.664 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H]1C[NH3+] ZINC000418885238 489774899 /nfs/dbraw/zinc/77/48/99/489774899.db2.gz YGJMYFGWTVGNRG-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP COCCN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000474658071 489777902 /nfs/dbraw/zinc/77/79/02/489777902.db2.gz GKMAHEWWKAMKHH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP COCCN(CCCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000474658071 489777903 /nfs/dbraw/zinc/77/79/03/489777903.db2.gz GKMAHEWWKAMKHH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP COCCN(CCCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000474658071 489777905 /nfs/dbraw/zinc/77/79/05/489777905.db2.gz GKMAHEWWKAMKHH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000430927619 489778788 /nfs/dbraw/zinc/77/87/88/489778788.db2.gz RKRLNNVEYZSCES-ZDUSSCGKSA-N 2 1 368.503 0.935 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459885608 489780912 /nfs/dbraw/zinc/78/09/12/489780912.db2.gz MUXRNMLQCRITCE-IBGZPJMESA-N 2 1 372.513 0.926 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430963853 489782123 /nfs/dbraw/zinc/78/21/23/489782123.db2.gz WQGZFHKETCUCBR-NSHDSACASA-N 2 1 370.475 0.340 20 0 FCADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960937 489782185 /nfs/dbraw/zinc/78/21/85/489782185.db2.gz LWUOHOPLRFXPMP-OAHLLOKOSA-N 2 1 369.487 0.367 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418911150 489786763 /nfs/dbraw/zinc/78/67/63/489786763.db2.gz LDVJHIYDXVVWGL-HNNXBMFYSA-N 2 1 362.474 0.107 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431073622 489787170 /nfs/dbraw/zinc/78/71/70/489787170.db2.gz ZCSYGKVQMKVDBC-HNNXBMFYSA-N 2 1 366.510 0.490 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431073623 489787983 /nfs/dbraw/zinc/78/79/83/489787983.db2.gz ZCSYGKVQMKVDBC-OAHLLOKOSA-N 2 1 366.510 0.490 20 0 FCADMP CCN1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)C[C@@H]1c1ncc[nH]1 ZINC000459915473 489791047 /nfs/dbraw/zinc/79/10/47/489791047.db2.gz BLDQGJPRGRDIJF-OAHLLOKOSA-N 2 1 362.478 0.169 20 0 FCADMP CCN1CCN(C(=O)C(=O)N2CCCN(CC)CC2)C[C@@H]1c1ncc[nH]1 ZINC000459915473 489791050 /nfs/dbraw/zinc/79/10/50/489791050.db2.gz BLDQGJPRGRDIJF-OAHLLOKOSA-N 2 1 362.478 0.169 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919693 489792260 /nfs/dbraw/zinc/79/22/60/489792260.db2.gz KHCBHMVEUZDIDA-CVEARBPZSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000459917932 489792374 /nfs/dbraw/zinc/79/23/74/489792374.db2.gz KHXDBWSTICVVTE-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000418928238 489793994 /nfs/dbraw/zinc/79/39/94/489793994.db2.gz URBFDGQKUOJWJO-XHSDSOJGSA-N 2 1 354.495 0.188 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000459981103 489808132 /nfs/dbraw/zinc/80/81/32/489808132.db2.gz AOZITHMHLXUFOE-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459981103 489808134 /nfs/dbraw/zinc/80/81/34/489808134.db2.gz AOZITHMHLXUFOE-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459981103 489808138 /nfs/dbraw/zinc/80/81/38/489808138.db2.gz AOZITHMHLXUFOE-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC000459994363 489811433 /nfs/dbraw/zinc/81/14/33/489811433.db2.gz UZWUSYYQYWLONO-SFHVURJKSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571031767 491281112 /nfs/dbraw/zinc/28/11/12/491281112.db2.gz YYBDSLXBESMTQM-RDJZCZTQSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571031767 491281114 /nfs/dbraw/zinc/28/11/14/491281114.db2.gz YYBDSLXBESMTQM-RDJZCZTQSA-N 2 1 374.485 0.390 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000419026745 489823390 /nfs/dbraw/zinc/82/33/90/489823390.db2.gz NOYWHWWLSVHJIH-LBPRGKRZSA-N 2 1 361.421 0.908 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000460030412 489823837 /nfs/dbraw/zinc/82/38/37/489823837.db2.gz AASOLLVALKHZQN-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC000460030412 489823840 /nfs/dbraw/zinc/82/38/40/489823840.db2.gz AASOLLVALKHZQN-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419027940 489824842 /nfs/dbraw/zinc/82/48/42/489824842.db2.gz PGKBZZAVOKJRFH-QKPAOTATSA-N 2 1 352.523 0.973 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000419032390 489825975 /nfs/dbraw/zinc/82/59/75/489825975.db2.gz WKJQQAAQSOPMRF-CQSZACIVSA-N 2 1 359.405 0.756 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419032480 489826631 /nfs/dbraw/zinc/82/66/31/489826631.db2.gz WSLLEYCRXWPPQK-YYIAUSFCSA-N 2 1 352.523 0.975 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000419034205 489827123 /nfs/dbraw/zinc/82/71/23/489827123.db2.gz DITGMQYADMTMGP-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)[C@H](C)C1 ZINC000419034756 489827336 /nfs/dbraw/zinc/82/73/36/489827336.db2.gz DWBMIXXDNYCRES-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nccn2C)[C@@H](C)C1 ZINC000563985557 491281833 /nfs/dbraw/zinc/28/18/33/491281833.db2.gz FMYOVJYSROBPKM-GJZGRUSLSA-N 2 1 365.478 0.290 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nccn2C)[C@H](C)C1 ZINC000563985553 491282090 /nfs/dbraw/zinc/28/20/90/491282090.db2.gz FMYOVJYSROBPKM-CABCVRRESA-N 2 1 365.478 0.290 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000460057653 489837008 /nfs/dbraw/zinc/83/70/08/489837008.db2.gz JDBIXESRLHLYDK-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419058175 489838498 /nfs/dbraw/zinc/83/84/98/489838498.db2.gz BHYHFGMOXXAGEV-KBXIAJHMSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419058175 489838501 /nfs/dbraw/zinc/83/85/01/489838501.db2.gz BHYHFGMOXXAGEV-KBXIAJHMSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNCc2cnc(N3CCN(C)CC3)nc2)CCCO1 ZINC000432362797 489839435 /nfs/dbraw/zinc/83/94/35/489839435.db2.gz PDJLFTNTGZBFAU-QGZVFWFLSA-N 3 1 362.522 0.819 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419062869 489839952 /nfs/dbraw/zinc/83/99/52/489839952.db2.gz HGNYEUYLYKUFAW-RBSFLKMASA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@H]1[NH3+] ZINC000419065432 489841463 /nfs/dbraw/zinc/84/14/63/489841463.db2.gz DMFVYIWKBKYLMT-IIDMSEBBSA-N 2 1 374.485 0.329 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@H]1[NH3+] ZINC000419065432 489841465 /nfs/dbraw/zinc/84/14/65/489841465.db2.gz DMFVYIWKBKYLMT-IIDMSEBBSA-N 2 1 374.485 0.329 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419065395 489841784 /nfs/dbraw/zinc/84/17/84/489841784.db2.gz DHYADSMVFXAMIC-QAPCUYQASA-N 2 1 374.485 0.473 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419065395 489841789 /nfs/dbraw/zinc/84/17/89/489841789.db2.gz DHYADSMVFXAMIC-QAPCUYQASA-N 2 1 374.485 0.473 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000419065494 489841796 /nfs/dbraw/zinc/84/17/96/489841796.db2.gz ADNLKHJANXOIBE-ZWKOTPCHSA-N 2 1 374.485 0.467 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000571049764 491282742 /nfs/dbraw/zinc/28/27/42/491282742.db2.gz LQEUHAUVDJGJJP-QZTJIDSGSA-N 2 1 358.486 0.932 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419078807 489848597 /nfs/dbraw/zinc/84/85/97/489848597.db2.gz LRVVRCNURXXIEY-MRXNPFEDSA-N 2 1 368.522 0.724 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419080890 489849603 /nfs/dbraw/zinc/84/96/03/489849603.db2.gz QMWKTKZWIARYBR-YYIAUSFCSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000419086401 489851461 /nfs/dbraw/zinc/85/14/61/489851461.db2.gz OAURRMFXFOZYSK-QWQRMKEZSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000419086401 489851462 /nfs/dbraw/zinc/85/14/62/489851462.db2.gz OAURRMFXFOZYSK-QWQRMKEZSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419089255 489852273 /nfs/dbraw/zinc/85/22/73/489852273.db2.gz SUOKUGMYBVQXCZ-KFWWJZLASA-N 2 1 354.495 0.106 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000460244421 489857289 /nfs/dbraw/zinc/85/72/89/489857289.db2.gz RZGDFIFNSSMAIM-QAPCUYQASA-N 2 1 350.463 0.664 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000460244421 489857291 /nfs/dbraw/zinc/85/72/91/489857291.db2.gz RZGDFIFNSSMAIM-QAPCUYQASA-N 2 1 350.463 0.664 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419110677 489858506 /nfs/dbraw/zinc/85/85/06/489858506.db2.gz CLBSBYMOUBYSNZ-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419112501 489859690 /nfs/dbraw/zinc/85/96/90/489859690.db2.gz FYIJIVMIBPRSLW-QFBILLFUSA-N 2 1 368.522 0.437 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419112975 489860950 /nfs/dbraw/zinc/86/09/50/489860950.db2.gz GITASSHVUOBQIH-ULQDDVLXSA-N 2 1 368.522 0.626 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000419116259 489862499 /nfs/dbraw/zinc/86/24/99/489862499.db2.gz LDDQEHDKFXBEKD-OIISXLGYSA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000419117353 489862947 /nfs/dbraw/zinc/86/29/47/489862947.db2.gz MGAUNECBTAXMJX-KRWDZBQOSA-N 2 1 368.522 0.437 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118046 489863334 /nfs/dbraw/zinc/86/33/34/489863334.db2.gz NLZVJOFKLUZVIC-WBVHZDCISA-N 2 1 368.522 0.355 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000419117987 489863388 /nfs/dbraw/zinc/86/33/88/489863388.db2.gz MZDGTZPDXCPAEG-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120113 489864631 /nfs/dbraw/zinc/86/46/31/489864631.db2.gz PRGPRMUTGYHEGS-OIISXLGYSA-N 2 1 368.522 0.483 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000433280964 489874983 /nfs/dbraw/zinc/87/49/83/489874983.db2.gz GTURSZCCKGPFMC-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000433280964 489874989 /nfs/dbraw/zinc/87/49/89/489874989.db2.gz GTURSZCCKGPFMC-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000433280964 489874996 /nfs/dbraw/zinc/87/49/96/489874996.db2.gz GTURSZCCKGPFMC-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433334985 489876907 /nfs/dbraw/zinc/87/69/07/489876907.db2.gz JQIIVYMRRSPVPL-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625871 489876939 /nfs/dbraw/zinc/87/69/39/489876939.db2.gz IYGWFDMTGQYPCQ-AWEZNQCLSA-N 2 1 367.498 0.693 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420001514 489878096 /nfs/dbraw/zinc/87/80/96/489878096.db2.gz QBPROOAAHIYHHK-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420001514 489878098 /nfs/dbraw/zinc/87/80/98/489878098.db2.gz QBPROOAAHIYHHK-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420020113 489882629 /nfs/dbraw/zinc/88/26/29/489882629.db2.gz RPNLTZIILOCIAN-RDJZCZTQSA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420020113 489882630 /nfs/dbraw/zinc/88/26/30/489882630.db2.gz RPNLTZIILOCIAN-RDJZCZTQSA-N 2 1 367.538 0.105 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420037662 489888786 /nfs/dbraw/zinc/88/87/86/489888786.db2.gz UWIWTODHBUJLQU-SJLPKXTDSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420043314 489891561 /nfs/dbraw/zinc/89/15/61/489891561.db2.gz RSAHSIMEDJIUAO-ZNMIVQPWSA-N 2 1 354.495 0.548 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044155 489891761 /nfs/dbraw/zinc/89/17/61/489891761.db2.gz SOZLKFJDWWGGKJ-CWRNSKLLSA-N 2 1 366.506 0.406 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420058060 489896346 /nfs/dbraw/zinc/89/63/46/489896346.db2.gz DTAALFWTYJXWIW-MRXNPFEDSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420057885 489896599 /nfs/dbraw/zinc/89/65/99/489896599.db2.gz HYRZIDVRWUYAAZ-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058177 489896880 /nfs/dbraw/zinc/89/68/80/489896880.db2.gz OATVLXQFAYELSX-RHSMWYFYSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000420074026 489903409 /nfs/dbraw/zinc/90/34/09/489903409.db2.gz PYVIZVFGEMCXQU-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000420074026 489903415 /nfs/dbraw/zinc/90/34/15/489903415.db2.gz PYVIZVFGEMCXQU-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420076098 489904730 /nfs/dbraw/zinc/90/47/30/489904730.db2.gz LJCCSAJPMMDDKW-OKILXGFUSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000494713825 489907114 /nfs/dbraw/zinc/90/71/14/489907114.db2.gz VLTUEVGZGHTJJR-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000420090694 489908113 /nfs/dbraw/zinc/90/81/13/489908113.db2.gz LZVOOUNYAUQZBY-UHFFFAOYSA-N 2 1 374.485 0.727 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000420090694 489908115 /nfs/dbraw/zinc/90/81/15/489908115.db2.gz LZVOOUNYAUQZBY-UHFFFAOYSA-N 2 1 374.485 0.727 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126508 489922055 /nfs/dbraw/zinc/92/20/55/489922055.db2.gz OHCLEFQVLDRHKO-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000477033340 489933297 /nfs/dbraw/zinc/93/32/97/489933297.db2.gz MKMXPCUEKOSAEH-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000495315055 489934794 /nfs/dbraw/zinc/93/47/94/489934794.db2.gz SPXJETVUFKZGMF-RDJZCZTQSA-N 2 1 366.506 0.333 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420163940 489937186 /nfs/dbraw/zinc/93/71/86/489937186.db2.gz LLHFZZBKNUQNNH-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420165569 489937503 /nfs/dbraw/zinc/93/75/03/489937503.db2.gz NQFDHBAAYMMDHH-SJLPKXTDSA-N 2 1 360.502 0.888 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000571157681 491289332 /nfs/dbraw/zinc/28/93/32/491289332.db2.gz YCMYERRFLSYHBD-XLMAVXFVSA-N 2 1 360.502 0.530 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169567 489939078 /nfs/dbraw/zinc/93/90/78/489939078.db2.gz RKLGXCDXKQHEIY-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420182728 489943647 /nfs/dbraw/zinc/94/36/47/489943647.db2.gz KFEFVCAYRXZFOP-UHFFFAOYSA-N 2 1 368.522 0.453 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000420187045 489945267 /nfs/dbraw/zinc/94/52/67/489945267.db2.gz LPKQEAJJAAOKAA-ROUUACIJSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420194316 489947287 /nfs/dbraw/zinc/94/72/87/489947287.db2.gz JSMMWXZGDIZXGE-SOLBZPMBSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420194316 489947290 /nfs/dbraw/zinc/94/72/90/489947290.db2.gz JSMMWXZGDIZXGE-SOLBZPMBSA-N 2 1 374.485 0.212 20 0 FCADMP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000462074277 489955785 /nfs/dbraw/zinc/95/57/85/489955785.db2.gz LJBDIBGRYBRKJA-INIZCTEOSA-N 2 1 353.488 0.922 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000462074277 489955787 /nfs/dbraw/zinc/95/57/87/489955787.db2.gz LJBDIBGRYBRKJA-INIZCTEOSA-N 2 1 353.488 0.922 20 0 FCADMP C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777932 489957281 /nfs/dbraw/zinc/95/72/81/489957281.db2.gz XEKGRQXESKAKFP-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777932 489957284 /nfs/dbraw/zinc/95/72/84/489957284.db2.gz XEKGRQXESKAKFP-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798583 489959915 /nfs/dbraw/zinc/95/99/15/489959915.db2.gz KEBYXIOAWOOVSD-JKSUJKDBSA-N 2 1 362.522 0.795 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C(=O)OCC)cnn2C)CC1 ZINC000420284091 489960909 /nfs/dbraw/zinc/96/09/09/489960909.db2.gz CMDVTQHGHFAQJH-UHFFFAOYSA-N 2 1 351.451 0.857 20 0 FCADMP O=C1C[NH2+]CCN1[C@H]1CCCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307355 489961188 /nfs/dbraw/zinc/96/11/88/489961188.db2.gz LYJYCUDTNXRSII-QWHCGFSZSA-N 2 1 362.396 0.436 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867508 489963910 /nfs/dbraw/zinc/96/39/10/489963910.db2.gz FDILKAKBEJKWEW-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(=O)OC ZINC000420340105 489964534 /nfs/dbraw/zinc/96/45/34/489964534.db2.gz SPBUPCUPZALICC-IRWJRLHMSA-N 2 1 355.479 0.519 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477430543 489964673 /nfs/dbraw/zinc/96/46/73/489964673.db2.gz OKOIBJRAODCNAY-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392471 489971512 /nfs/dbraw/zinc/97/15/12/489971512.db2.gz BOCUMMIYRVYATH-GJZGRUSLSA-N 2 1 362.540 0.079 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392471 489971514 /nfs/dbraw/zinc/97/15/14/489971514.db2.gz BOCUMMIYRVYATH-GJZGRUSLSA-N 2 1 362.540 0.079 20 0 FCADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396801 489971585 /nfs/dbraw/zinc/97/15/85/489971585.db2.gz DTFBBKWZIQQOMQ-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396801 489971588 /nfs/dbraw/zinc/97/15/88/489971588.db2.gz DTFBBKWZIQQOMQ-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000420409000 489972792 /nfs/dbraw/zinc/97/27/92/489972792.db2.gz VCPULKJJDTXMCB-QZTJIDSGSA-N 2 1 360.502 0.849 20 0 FCADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412578 489973389 /nfs/dbraw/zinc/97/33/89/489973389.db2.gz YVOMOQFNOGTNPR-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412578 489973391 /nfs/dbraw/zinc/97/33/91/489973391.db2.gz YVOMOQFNOGTNPR-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000477612182 489976667 /nfs/dbraw/zinc/97/66/67/489976667.db2.gz DMUBJCJMNISLDB-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000477639269 489980261 /nfs/dbraw/zinc/98/02/61/489980261.db2.gz FBMQASONTLJSMC-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477653710 489982865 /nfs/dbraw/zinc/98/28/65/489982865.db2.gz RAUWYLUOUDPYQM-SJORKVTESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003117 489994526 /nfs/dbraw/zinc/99/45/26/489994526.db2.gz LYUKMSMEEGQRPL-AWEZNQCLSA-N 3 1 353.511 0.698 20 0 FCADMP C[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000436487953 490006645 /nfs/dbraw/zinc/00/66/45/490006645.db2.gz MAYGIHYQICQDAS-OAHLLOKOSA-N 2 1 351.499 0.450 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000478247773 490011767 /nfs/dbraw/zinc/01/17/67/490011767.db2.gz BZQZXZJJPOSQBH-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000420771502 490021312 /nfs/dbraw/zinc/02/13/12/490021312.db2.gz RZWYCASAGHWORK-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000420771502 490021314 /nfs/dbraw/zinc/02/13/14/490021314.db2.gz RZWYCASAGHWORK-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000420775323 490022379 /nfs/dbraw/zinc/02/23/79/490022379.db2.gz ZPIGOFBUBUQSCL-NRXISQOPSA-N 2 1 350.463 0.988 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420801331 490022888 /nfs/dbraw/zinc/02/28/88/490022888.db2.gz KHHDBSMAQMNVLP-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1=O ZINC000378187285 490024664 /nfs/dbraw/zinc/02/46/64/490024664.db2.gz IMSXTZMELWXSQM-QBPKDAKJSA-N 2 1 350.507 0.905 20 0 FCADMP COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283893 490039259 /nfs/dbraw/zinc/03/92/59/490039259.db2.gz PMGYKPAJCULSLJ-OCCSQVGLSA-N 2 1 355.398 0.945 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000478882861 490049004 /nfs/dbraw/zinc/04/90/04/490049004.db2.gz HQAVJJQIIMGXON-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906204 490053099 /nfs/dbraw/zinc/05/30/99/490053099.db2.gz PPDCUSPYDNKRPY-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000478906204 490053101 /nfs/dbraw/zinc/05/31/01/490053101.db2.gz PPDCUSPYDNKRPY-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000478906204 490053107 /nfs/dbraw/zinc/05/31/07/490053107.db2.gz PPDCUSPYDNKRPY-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP COC(=O)C1=C(C)O[C@H](CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482455 490070755 /nfs/dbraw/zinc/07/07/55/490070755.db2.gz MENMHALUHPJRLV-GOEBONIOSA-N 2 1 351.447 0.636 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953601 490073663 /nfs/dbraw/zinc/07/36/63/490073663.db2.gz PFGXETMDNCNXFM-DLBZAZTESA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953601 490073668 /nfs/dbraw/zinc/07/36/68/490073668.db2.gz PFGXETMDNCNXFM-DLBZAZTESA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000464953601 490073670 /nfs/dbraw/zinc/07/36/70/490073670.db2.gz PFGXETMDNCNXFM-DLBZAZTESA-N 2 1 367.538 0.851 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556141901 491297466 /nfs/dbraw/zinc/29/74/66/491297466.db2.gz SKMPJFFTYXGMIC-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000519785885 490084104 /nfs/dbraw/zinc/08/41/04/490084104.db2.gz DXLBJNLAHNFGMW-OAHLLOKOSA-N 2 1 350.507 0.943 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280753 490111111 /nfs/dbraw/zinc/11/11/11/490111111.db2.gz DCTDXDDBKYPMPF-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280753 490111112 /nfs/dbraw/zinc/11/11/12/490111112.db2.gz DCTDXDDBKYPMPF-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280753 490111114 /nfs/dbraw/zinc/11/11/14/490111114.db2.gz DCTDXDDBKYPMPF-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000496280753 490111115 /nfs/dbraw/zinc/11/11/15/490111115.db2.gz DCTDXDDBKYPMPF-HOTGVXAUSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1=O ZINC000422012790 490125883 /nfs/dbraw/zinc/12/58/83/490125883.db2.gz CJCMUQZBIPCLSQ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1=O ZINC000422012790 490125890 /nfs/dbraw/zinc/12/58/90/490125890.db2.gz CJCMUQZBIPCLSQ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1=O ZINC000422012790 490125897 /nfs/dbraw/zinc/12/58/97/490125897.db2.gz CJCMUQZBIPCLSQ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379677480 490125929 /nfs/dbraw/zinc/12/59/29/490125929.db2.gz CPIQACGNTQKIFU-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC000422025903 490128335 /nfs/dbraw/zinc/12/83/35/490128335.db2.gz SSTUBAXTBNLSIK-GOSISDBHSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC000422025903 490128340 /nfs/dbraw/zinc/12/83/40/490128340.db2.gz SSTUBAXTBNLSIK-GOSISDBHSA-N 2 1 352.523 0.726 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1CCC[NH2+]CC1 ZINC000390956849 490139523 /nfs/dbraw/zinc/13/95/23/490139523.db2.gz VRRVJKRQVYDSNK-SFHVURJKSA-N 2 1 374.485 0.216 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556201251 491302552 /nfs/dbraw/zinc/30/25/52/491302552.db2.gz DCWVACVNGUMQJS-WMLDXEAASA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556201251 491302554 /nfs/dbraw/zinc/30/25/54/491302554.db2.gz DCWVACVNGUMQJS-WMLDXEAASA-N 2 1 356.536 0.339 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952288 490156030 /nfs/dbraw/zinc/15/60/30/490156030.db2.gz KAONDLDUBWQGNM-MRXNPFEDSA-N 2 1 353.511 0.557 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465951174 490156417 /nfs/dbraw/zinc/15/64/17/490156417.db2.gz NNXHSORTWCHDCR-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446288162 490158064 /nfs/dbraw/zinc/15/80/64/490158064.db2.gz NYPMYTILCQSSPA-ABSDTBQOSA-N 2 1 366.550 0.909 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000446801191 490165459 /nfs/dbraw/zinc/16/54/59/490165459.db2.gz IKKKUQJIZHSSPI-CABCVRRESA-N 2 1 364.494 0.714 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000466114639 490166676 /nfs/dbraw/zinc/16/66/76/490166676.db2.gz WUBRMDLZROYKCB-INIZCTEOSA-N 2 1 355.527 0.016 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676581 490192677 /nfs/dbraw/zinc/19/26/77/490192677.db2.gz IIDKKTAWMFBRMN-ZWKOTPCHSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000497676581 490192684 /nfs/dbraw/zinc/19/26/84/490192684.db2.gz IIDKKTAWMFBRMN-ZWKOTPCHSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000497676581 490192688 /nfs/dbraw/zinc/19/26/88/490192688.db2.gz IIDKKTAWMFBRMN-ZWKOTPCHSA-N 2 1 367.538 0.112 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227667 490204769 /nfs/dbraw/zinc/20/47/69/490204769.db2.gz GTVSIXLAKWRBJJ-HNNXBMFYSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000571430061 491307210 /nfs/dbraw/zinc/30/72/10/491307210.db2.gz ZJNCXSOQXDORNO-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497827640 490219606 /nfs/dbraw/zinc/21/96/06/490219606.db2.gz HOJKPEIAOYEQQP-PMRDEQMMSA-N 2 1 365.522 0.840 20 0 FCADMP CN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497827640 490219612 /nfs/dbraw/zinc/21/96/12/490219612.db2.gz HOJKPEIAOYEQQP-PMRDEQMMSA-N 2 1 365.522 0.840 20 0 FCADMP CN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497827640 490219616 /nfs/dbraw/zinc/21/96/16/490219616.db2.gz HOJKPEIAOYEQQP-PMRDEQMMSA-N 2 1 365.522 0.840 20 0 FCADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000447347397 490222134 /nfs/dbraw/zinc/22/21/34/490222134.db2.gz CWBFEMPHNCRDQN-CADBVGFASA-N 2 1 357.539 0.889 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000422278499 490223126 /nfs/dbraw/zinc/22/31/26/490223126.db2.gz AFRQPIAREIFGGU-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000422278499 490223136 /nfs/dbraw/zinc/22/31/36/490223136.db2.gz AFRQPIAREIFGGU-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c2)C1 ZINC000498209460 490273203 /nfs/dbraw/zinc/27/32/03/490273203.db2.gz YQKBMYMEWUMGCU-CABCVRRESA-N 2 1 368.428 0.983 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc2)CC1 ZINC000498221068 490274506 /nfs/dbraw/zinc/27/45/06/490274506.db2.gz FAXDIZKTXFVJLY-CQSZACIVSA-N 2 1 354.401 0.924 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC000498240002 490275600 /nfs/dbraw/zinc/27/56/00/490275600.db2.gz PKVRTIFMLMYJDN-OWCLPIDISA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC000498240002 490275602 /nfs/dbraw/zinc/27/56/02/490275602.db2.gz PKVRTIFMLMYJDN-OWCLPIDISA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC000498240002 490275604 /nfs/dbraw/zinc/27/56/04/490275604.db2.gz PKVRTIFMLMYJDN-OWCLPIDISA-N 2 1 353.511 0.698 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000422370340 490282061 /nfs/dbraw/zinc/28/20/61/490282061.db2.gz UHSBFGDGLHMUIF-SFHVURJKSA-N 2 1 373.501 0.967 20 0 FCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)C2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000571568451 491316306 /nfs/dbraw/zinc/31/63/06/491316306.db2.gz PUUHFLNMGJRKPU-UHFFFAOYSA-N 2 1 358.486 0.693 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000422427335 490312776 /nfs/dbraw/zinc/31/27/76/490312776.db2.gz DDUACZOBRMUIGE-QGZVFWFLSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000483423206 490316829 /nfs/dbraw/zinc/31/68/29/490316829.db2.gz XXXAAOWJVMESBP-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000483426925 490317637 /nfs/dbraw/zinc/31/76/37/490317637.db2.gz ASFASAJXRVDKMH-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000483426925 490317643 /nfs/dbraw/zinc/31/76/43/490317643.db2.gz ASFASAJXRVDKMH-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000467688727 490330268 /nfs/dbraw/zinc/33/02/68/490330268.db2.gz NFMLLBCZNVELMA-UHFFFAOYSA-N 2 1 361.446 0.337 20 0 FCADMP C[NH+]1CCC(C)(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000508459982 490331387 /nfs/dbraw/zinc/33/13/87/490331387.db2.gz WVMDTQBQZHCHTO-HNNXBMFYSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000522035617 490332701 /nfs/dbraw/zinc/33/27/01/490332701.db2.gz BJOBYHCFQMRCIX-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000522035617 490332706 /nfs/dbraw/zinc/33/27/06/490332706.db2.gz BJOBYHCFQMRCIX-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000522035617 490332711 /nfs/dbraw/zinc/33/27/11/490332711.db2.gz BJOBYHCFQMRCIX-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@@H](C)CN1C ZINC000408435779 490336457 /nfs/dbraw/zinc/33/64/57/490336457.db2.gz PNEYMONJPQOCOV-GJZGRUSLSA-N 2 1 367.519 0.547 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508560411 490338327 /nfs/dbraw/zinc/33/83/27/490338327.db2.gz ZVALOHNIKGOHIJ-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508560415 490338715 /nfs/dbraw/zinc/33/87/15/490338715.db2.gz ZVALOHNIKGOHIJ-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000483819344 490347522 /nfs/dbraw/zinc/34/75/22/490347522.db2.gz MWSKIMKIQJVDHI-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626054 491319667 /nfs/dbraw/zinc/31/96/67/491319667.db2.gz OZSVQCSVBUEUQS-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626054 491319670 /nfs/dbraw/zinc/31/96/70/491319670.db2.gz OZSVQCSVBUEUQS-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000422487648 490352782 /nfs/dbraw/zinc/35/27/82/490352782.db2.gz INEUKYIALHHEFX-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422487648 490352788 /nfs/dbraw/zinc/35/27/88/490352788.db2.gz INEUKYIALHHEFX-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422487648 490352797 /nfs/dbraw/zinc/35/27/97/490352797.db2.gz INEUKYIALHHEFX-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000484012326 490369516 /nfs/dbraw/zinc/36/95/16/490369516.db2.gz OYCMMZASCVPDLS-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(C)=O)nn1 ZINC000448853177 490382966 /nfs/dbraw/zinc/38/29/66/490382966.db2.gz NSPRNHPAIZWILH-HNNXBMFYSA-N 2 1 350.467 0.355 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C(N)=O)cn1 ZINC000448851826 490383106 /nfs/dbraw/zinc/38/31/06/490383106.db2.gz GFCBQFIEZAWVEC-OAHLLOKOSA-N 2 1 361.490 0.977 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C[NH3+] ZINC000422625283 490432839 /nfs/dbraw/zinc/43/28/39/490432839.db2.gz BFHNGJKLANSFMC-OAGGEKHMSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C[NH3+] ZINC000422625283 490432846 /nfs/dbraw/zinc/43/28/46/490432846.db2.gz BFHNGJKLANSFMC-OAGGEKHMSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626067 490433312 /nfs/dbraw/zinc/43/33/12/490433312.db2.gz IRFNPZPIAGYZQR-FHERZECASA-N 2 1 368.522 0.279 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626067 490433318 /nfs/dbraw/zinc/43/33/18/490433318.db2.gz IRFNPZPIAGYZQR-FHERZECASA-N 2 1 368.522 0.279 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000571744856 491326039 /nfs/dbraw/zinc/32/60/39/491326039.db2.gz IUGQCMBHCKOYJY-SFHVURJKSA-N 2 1 373.501 0.968 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000422642568 490439476 /nfs/dbraw/zinc/43/94/76/490439476.db2.gz ZPPDKJIPFBEKMO-BRWVUGGUSA-N 2 1 360.506 0.821 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571745541 491326524 /nfs/dbraw/zinc/32/65/24/491326524.db2.gz ZZFJOSNXTQHTLJ-MOPGFXCFSA-N 2 1 357.502 0.950 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000509709222 490454473 /nfs/dbraw/zinc/45/44/73/490454473.db2.gz AKTYAJHOANLONT-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCOC)C[C@H]1C ZINC000509709222 490454478 /nfs/dbraw/zinc/45/44/78/490454478.db2.gz AKTYAJHOANLONT-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@@H+](C)CCCOC)C[C@H]1C ZINC000509709222 490454485 /nfs/dbraw/zinc/45/44/85/490454485.db2.gz AKTYAJHOANLONT-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000509720921 490455729 /nfs/dbraw/zinc/45/57/29/490455729.db2.gz LFLFISXVZSYCAL-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000509731904 490457617 /nfs/dbraw/zinc/45/76/17/490457617.db2.gz XYQNBZFGCWDUFB-UHFFFAOYSA-N 2 1 355.527 0.912 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000509723732 490457732 /nfs/dbraw/zinc/45/77/32/490457732.db2.gz GLILLLQLDMIRFG-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000509723732 490457739 /nfs/dbraw/zinc/45/77/39/490457739.db2.gz GLILLLQLDMIRFG-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000509723732 490457744 /nfs/dbraw/zinc/45/77/44/490457744.db2.gz GLILLLQLDMIRFG-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000509723797 490457913 /nfs/dbraw/zinc/45/79/13/490457913.db2.gz ZJWZSNIVLVTTIQ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000509723797 490457918 /nfs/dbraw/zinc/45/79/18/490457918.db2.gz ZJWZSNIVLVTTIQ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000509723797 490457924 /nfs/dbraw/zinc/45/79/24/490457924.db2.gz ZJWZSNIVLVTTIQ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+]CC1(O)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000564801362 491327704 /nfs/dbraw/zinc/32/77/04/491327704.db2.gz UPDVRDLNTNXGBI-UHFFFAOYSA-N 3 1 360.502 0.684 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428881 490463234 /nfs/dbraw/zinc/46/32/34/490463234.db2.gz ADGXFWYAXHBDPW-HOTGVXAUSA-N 2 1 353.511 0.746 20 0 FCADMP c1cnc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000484773539 490466922 /nfs/dbraw/zinc/46/69/22/490466922.db2.gz BPEZLFHQMOEKJR-GUDVDZBRSA-N 2 1 374.533 0.735 20 0 FCADMP CCC(CC)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422822930 490481553 /nfs/dbraw/zinc/48/15/53/490481553.db2.gz BXKOXYVBLZBEOC-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422836726 490482731 /nfs/dbraw/zinc/48/27/31/490482731.db2.gz RVPNUZAMMAMLIM-JKSUJKDBSA-N 2 1 354.495 0.189 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000523750869 490492171 /nfs/dbraw/zinc/49/21/71/490492171.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC000523750869 490492177 /nfs/dbraw/zinc/49/21/77/490492177.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC000523750869 490492181 /nfs/dbraw/zinc/49/21/81/490492181.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 1 369.554 0.668 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000564857490 491331941 /nfs/dbraw/zinc/33/19/41/491331941.db2.gz ULAWTWDCVUMWMZ-IBGZPJMESA-N 2 1 366.550 0.756 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000564857490 491331942 /nfs/dbraw/zinc/33/19/42/491331942.db2.gz ULAWTWDCVUMWMZ-IBGZPJMESA-N 2 1 366.550 0.756 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000500458284 490519056 /nfs/dbraw/zinc/51/90/56/490519056.db2.gz SFGYNZZNDGPHTB-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)c1 ZINC000500455119 490519605 /nfs/dbraw/zinc/51/96/05/490519605.db2.gz FWJMXUGUXBAAQQ-UHFFFAOYSA-N 2 1 359.474 0.639 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423037336 490527743 /nfs/dbraw/zinc/52/77/43/490527743.db2.gz MRUJWGGUQVLBHC-MOPGFXCFSA-N 2 1 370.497 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423061115 490533403 /nfs/dbraw/zinc/53/34/03/490533403.db2.gz QDUCKXCBGJCWEW-JZXOWHBKSA-N 2 1 358.486 0.928 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485482486 490533923 /nfs/dbraw/zinc/53/39/23/490533923.db2.gz SHLDWUYFZIUKIR-UHFFFAOYSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558357 490542471 /nfs/dbraw/zinc/54/24/71/490542471.db2.gz BVMHNBRECQCMKW-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558357 490542475 /nfs/dbraw/zinc/54/24/75/490542475.db2.gz BVMHNBRECQCMKW-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558357 490542480 /nfs/dbraw/zinc/54/24/80/490542480.db2.gz BVMHNBRECQCMKW-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000524617350 490547716 /nfs/dbraw/zinc/54/77/16/490547716.db2.gz MALRGHAHMKBCQF-CABCVRRESA-N 2 1 365.478 0.769 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000524617350 490547722 /nfs/dbraw/zinc/54/77/22/490547722.db2.gz MALRGHAHMKBCQF-CABCVRRESA-N 2 1 365.478 0.769 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CCc2sccc2C1 ZINC000564907776 491335338 /nfs/dbraw/zinc/33/53/38/491335338.db2.gz LBXMXOLHMBRIDT-AWEZNQCLSA-N 2 1 350.488 0.481 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@H+]1CCc2sccc2C1 ZINC000564907776 491335340 /nfs/dbraw/zinc/33/53/40/491335340.db2.gz LBXMXOLHMBRIDT-AWEZNQCLSA-N 2 1 350.488 0.481 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1CC ZINC000485814997 490559902 /nfs/dbraw/zinc/55/99/02/490559902.db2.gz HNHBXIXOSGFIKT-JKSUJKDBSA-N 2 1 364.494 0.776 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1CC ZINC000485814997 490559910 /nfs/dbraw/zinc/55/99/10/490559910.db2.gz HNHBXIXOSGFIKT-JKSUJKDBSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847808 490563706 /nfs/dbraw/zinc/56/37/06/490563706.db2.gz RVFDAVLFSIAIEU-SCTDSRPQSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847808 490563710 /nfs/dbraw/zinc/56/37/10/490563710.db2.gz RVFDAVLFSIAIEU-SCTDSRPQSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847808 490563716 /nfs/dbraw/zinc/56/37/16/490563716.db2.gz RVFDAVLFSIAIEU-SCTDSRPQSA-N 2 1 364.534 0.724 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)NCC(=O)c1ccccc1 ZINC000511195688 490569716 /nfs/dbraw/zinc/56/97/16/490569716.db2.gz ARJJUGKMFRZNCD-UHFFFAOYSA-N 2 1 360.502 0.945 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000486041069 490586388 /nfs/dbraw/zinc/58/63/88/490586388.db2.gz LXZNOQNRGZCEDT-YQFWSFKMSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000486041069 490586394 /nfs/dbraw/zinc/58/63/94/490586394.db2.gz LXZNOQNRGZCEDT-YQFWSFKMSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000486041069 490586399 /nfs/dbraw/zinc/58/63/99/490586399.db2.gz LXZNOQNRGZCEDT-YQFWSFKMSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000571941753 491339132 /nfs/dbraw/zinc/33/91/32/491339132.db2.gz XVZPTKXLVYPBAW-VVLHAWIVSA-N 2 1 365.522 0.698 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000486326637 490610124 /nfs/dbraw/zinc/61/01/24/490610124.db2.gz NWWQYJPXXKLHFO-GJZGRUSLSA-N 2 1 362.478 0.125 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)CC1 ZINC000525684492 490618554 /nfs/dbraw/zinc/61/85/54/490618554.db2.gz SNCDIAXDGXDMSW-QYZOEREBSA-N 2 1 355.523 0.643 20 0 FCADMP CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCOC ZINC000501600109 490620259 /nfs/dbraw/zinc/62/02/59/490620259.db2.gz GIZIKYRRDZLSMY-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688397 490620767 /nfs/dbraw/zinc/62/07/67/490620767.db2.gz BZLAYWPLYQOGNW-HZPDHXFCSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615176 490623663 /nfs/dbraw/zinc/62/36/63/490623663.db2.gz VDHOLJCSYXRVCC-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501615176 490623670 /nfs/dbraw/zinc/62/36/70/490623670.db2.gz VDHOLJCSYXRVCC-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501615176 490623676 /nfs/dbraw/zinc/62/36/76/490623676.db2.gz VDHOLJCSYXRVCC-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619632 490624199 /nfs/dbraw/zinc/62/41/99/490624199.db2.gz CQXMJFJLEKSDGB-UWWQBHOKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619632 490624207 /nfs/dbraw/zinc/62/42/07/490624207.db2.gz CQXMJFJLEKSDGB-UWWQBHOKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619632 490624209 /nfs/dbraw/zinc/62/42/09/490624209.db2.gz CQXMJFJLEKSDGB-UWWQBHOKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635158 490627626 /nfs/dbraw/zinc/62/76/26/490627626.db2.gz FTTRTQVHPIDRSM-CVEARBPZSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000550154050 490633123 /nfs/dbraw/zinc/63/31/23/490633123.db2.gz FOOGFKKJSPOJHL-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000550154050 490633132 /nfs/dbraw/zinc/63/31/32/490633132.db2.gz FOOGFKKJSPOJHL-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000564985748 491343578 /nfs/dbraw/zinc/34/35/78/491343578.db2.gz MKSVHGYNWOGJJF-NWANDNLSSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000564985748 491343579 /nfs/dbraw/zinc/34/35/79/491343579.db2.gz MKSVHGYNWOGJJF-NWANDNLSSA-N 2 1 363.458 0.998 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000564990169 491344601 /nfs/dbraw/zinc/34/46/01/491344601.db2.gz MRGMZYCFGKDALD-GOSISDBHSA-N 3 1 353.555 0.722 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000550495322 490674578 /nfs/dbraw/zinc/67/45/78/490674578.db2.gz RHCAAEAOXYISTN-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000512389129 490678992 /nfs/dbraw/zinc/67/89/92/490678992.db2.gz GGRKSUAZXRYSMG-VQTJNVASSA-N 2 1 374.529 0.938 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556963906 491345332 /nfs/dbraw/zinc/34/53/32/491345332.db2.gz NNDWWQONXPLTHG-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556963906 491345334 /nfs/dbraw/zinc/34/53/34/491345334.db2.gz NNDWWQONXPLTHG-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C ZINC000486992135 490684807 /nfs/dbraw/zinc/68/48/07/490684807.db2.gz YRMMGGIEERDYOK-XFZGEKFBSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@H]1C ZINC000486992135 490684811 /nfs/dbraw/zinc/68/48/11/490684811.db2.gz YRMMGGIEERDYOK-XFZGEKFBSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@H]1C ZINC000486992135 490684815 /nfs/dbraw/zinc/68/48/15/490684815.db2.gz YRMMGGIEERDYOK-XFZGEKFBSA-N 2 1 364.534 0.830 20 0 FCADMP CC[C@@H]1C(=O)NCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572055768 491346014 /nfs/dbraw/zinc/34/60/14/491346014.db2.gz LXUZFPYWMRIOMY-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557001613 491348520 /nfs/dbraw/zinc/34/85/20/491348520.db2.gz UPIHXHPWQYSVJI-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+](CCO)[C@@H]3CCCSC3)cn2)CC1 ZINC000527241740 490710052 /nfs/dbraw/zinc/71/00/52/490710052.db2.gz OIJVDIQHNRBLSR-MRXNPFEDSA-N 2 1 351.520 0.918 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)[C@@H]3CCCSC3)cn2)CC1 ZINC000527241740 490710057 /nfs/dbraw/zinc/71/00/57/490710057.db2.gz OIJVDIQHNRBLSR-MRXNPFEDSA-N 2 1 351.520 0.918 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513207127 490714381 /nfs/dbraw/zinc/71/43/81/490714381.db2.gz UKSGSVBVABWVKS-HOTGVXAUSA-N 2 1 359.536 0.780 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513207127 490714383 /nfs/dbraw/zinc/71/43/83/490714383.db2.gz UKSGSVBVABWVKS-HOTGVXAUSA-N 2 1 359.536 0.780 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000502777030 490721280 /nfs/dbraw/zinc/72/12/80/490721280.db2.gz KVOJFNRWFJFBJW-HNNXBMFYSA-N 2 1 353.511 0.665 20 0 FCADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000503075025 490737672 /nfs/dbraw/zinc/73/76/72/490737672.db2.gz MMQHSZQHAVMJTI-JKSUJKDBSA-N 2 1 356.492 0.059 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCN3C(=O)CCC3=O)CC2)C[C@@H](C)O1 ZINC000539149174 490765128 /nfs/dbraw/zinc/76/51/28/490765128.db2.gz PVNDXKJGLCOWRJ-HZPDHXFCSA-N 2 1 367.490 0.726 20 0 FCADMP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605242 490775032 /nfs/dbraw/zinc/77/50/32/490775032.db2.gz LLSCPRYZMVVDRJ-ZBFHGGJFSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605242 490775036 /nfs/dbraw/zinc/77/50/36/490775036.db2.gz LLSCPRYZMVVDRJ-ZBFHGGJFSA-N 2 1 358.450 0.303 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000514663645 490779800 /nfs/dbraw/zinc/77/98/00/490779800.db2.gz NDMGMJSVKMXPJC-GJZGRUSLSA-N 2 1 356.511 0.495 20 0 FCADMP CN1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000557137527 491356273 /nfs/dbraw/zinc/35/62/73/491356273.db2.gz UKIUACHSWIBFMC-IBGZPJMESA-N 3 1 374.533 0.089 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000539812018 490797111 /nfs/dbraw/zinc/79/71/11/490797111.db2.gz WNTZVFYUXXTZTG-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000514938580 490799163 /nfs/dbraw/zinc/79/91/63/490799163.db2.gz MIBKLBVVUPFUBY-RYRKJORJSA-N 2 1 373.457 0.633 20 0 FCADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000514938580 490799164 /nfs/dbraw/zinc/79/91/64/490799164.db2.gz MIBKLBVVUPFUBY-RYRKJORJSA-N 2 1 373.457 0.633 20 0 FCADMP C[N@H+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000557162634 491357140 /nfs/dbraw/zinc/35/71/40/491357140.db2.gz OMLSVLHAAFMSIA-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000557162634 491357142 /nfs/dbraw/zinc/35/71/42/491357142.db2.gz OMLSVLHAAFMSIA-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000572234250 491357164 /nfs/dbraw/zinc/35/71/64/491357164.db2.gz MQPTZMGCRACNKV-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091346 490808450 /nfs/dbraw/zinc/80/84/50/490808450.db2.gz FEUXAVDJNRBMTP-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP O=c1cc(CNC2CC[NH+](CCN3CCOCC3)CC2)nc2ccccn12 ZINC000515158444 490810760 /nfs/dbraw/zinc/81/07/60/490810760.db2.gz JKOWSUFIRIVFAP-UHFFFAOYSA-N 2 1 371.485 0.581 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528678771 490818985 /nfs/dbraw/zinc/81/89/85/490818985.db2.gz YZSWORKBIIBNSS-JKSUJKDBSA-N 2 1 361.446 0.246 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528678771 490818987 /nfs/dbraw/zinc/81/89/87/490818987.db2.gz YZSWORKBIIBNSS-JKSUJKDBSA-N 2 1 361.446 0.246 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000540696194 490833688 /nfs/dbraw/zinc/83/36/88/490833688.db2.gz KKNMIKWIPAWADV-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000540696194 490833692 /nfs/dbraw/zinc/83/36/92/490833692.db2.gz KKNMIKWIPAWADV-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000540696194 490833696 /nfs/dbraw/zinc/83/36/96/490833696.db2.gz KKNMIKWIPAWADV-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000515738085 490837806 /nfs/dbraw/zinc/83/78/06/490837806.db2.gz NXFZPRHSESZTPM-HNNXBMFYSA-N 2 1 365.522 0.713 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000515738085 490837809 /nfs/dbraw/zinc/83/78/09/490837809.db2.gz NXFZPRHSESZTPM-HNNXBMFYSA-N 2 1 365.522 0.713 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000516027812 490846907 /nfs/dbraw/zinc/84/69/07/490846907.db2.gz TWSSRQXGLRMCKW-RDJZCZTQSA-N 2 1 368.522 0.437 20 0 FCADMP CCC[C@@](C)([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000516067879 490848880 /nfs/dbraw/zinc/84/88/80/490848880.db2.gz LBVDFDPXLGUHSK-LJQANCHMSA-N 2 1 368.522 0.581 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000516166735 490853791 /nfs/dbraw/zinc/85/37/91/490853791.db2.gz AMFPJIYVZFCCIK-GOSISDBHSA-N 2 1 373.501 0.725 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000572310922 491362524 /nfs/dbraw/zinc/36/25/24/491362524.db2.gz ZOWNFBLVOAGYPV-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000572310922 491362526 /nfs/dbraw/zinc/36/25/26/491362526.db2.gz ZOWNFBLVOAGYPV-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000557205844 491359768 /nfs/dbraw/zinc/35/97/68/491359768.db2.gz HIRSDVDIBYKWPC-HDICACEKSA-N 2 1 366.554 0.092 20 0 FCADMP O=C1[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1C1CCCCC1 ZINC000530124315 490889689 /nfs/dbraw/zinc/88/96/89/490889689.db2.gz GFFABFHTNCXIOQ-LJQANCHMSA-N 2 1 366.550 0.900 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517059597 490893741 /nfs/dbraw/zinc/89/37/41/490893741.db2.gz WGLOTFUUSCVPOQ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C(=O)OC)[C@@H](C)O)CC2)CC1 ZINC000517173290 490897485 /nfs/dbraw/zinc/89/74/85/490897485.db2.gz WCPLZTOITXFCFF-CZUORRHYSA-N 2 1 355.479 0.221 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000557225509 491360408 /nfs/dbraw/zinc/36/04/08/491360408.db2.gz FPWOUUMFQULVJK-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000530421823 490905017 /nfs/dbraw/zinc/90/50/17/490905017.db2.gz AUHATHWASILDGR-MRXNPFEDSA-N 2 1 354.495 0.193 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000530421823 490905020 /nfs/dbraw/zinc/90/50/20/490905020.db2.gz AUHATHWASILDGR-MRXNPFEDSA-N 2 1 354.495 0.193 20 0 FCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000517366229 490905695 /nfs/dbraw/zinc/90/56/95/490905695.db2.gz YSUYSIGJDCNKIV-YJBOKZPZSA-N 2 1 374.485 0.962 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000542778709 490909297 /nfs/dbraw/zinc/90/92/97/490909297.db2.gz HHFIZSRMCNVUBO-ZCNNSNEGSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000542778709 490909299 /nfs/dbraw/zinc/90/92/99/490909299.db2.gz HHFIZSRMCNVUBO-ZCNNSNEGSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000542778709 490909301 /nfs/dbraw/zinc/90/93/01/490909301.db2.gz HHFIZSRMCNVUBO-ZCNNSNEGSA-N 2 1 372.513 0.376 20 0 FCADMP NC(=O)C1([NH2+]CC2(C[NH2+]C3(C(N)=O)CCCCC3)COC2)CCCCC1 ZINC000542928050 490916211 /nfs/dbraw/zinc/91/62/11/490916211.db2.gz MDCUAJUHYMAFON-UHFFFAOYSA-N 2 1 366.506 0.559 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517719275 490917932 /nfs/dbraw/zinc/91/79/32/490917932.db2.gz OSPKJSJFEPKZKO-FQEVSTJZSA-N 2 1 373.545 0.951 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000518290724 490936187 /nfs/dbraw/zinc/93/61/87/490936187.db2.gz OEQOIJQAWLHAQH-HNNXBMFYSA-N 2 1 355.527 0.959 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531052841 490937627 /nfs/dbraw/zinc/93/76/27/490937627.db2.gz LESIGPLJBASIRG-HXUWFJFHSA-N 2 1 360.502 0.377 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000518443095 490942043 /nfs/dbraw/zinc/94/20/43/490942043.db2.gz FRNZZYAQVXLOCC-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000518443095 490942045 /nfs/dbraw/zinc/94/20/45/490942045.db2.gz FRNZZYAQVXLOCC-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000518443095 490942047 /nfs/dbraw/zinc/94/20/47/490942047.db2.gz FRNZZYAQVXLOCC-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000572381602 491366193 /nfs/dbraw/zinc/36/61/93/491366193.db2.gz QBDRYKGTAVDSQO-UXLLHSPISA-N 2 1 351.495 0.369 20 0 FCADMP O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531298772 490950723 /nfs/dbraw/zinc/95/07/23/490950723.db2.gz LICCNVSDTNEZAO-TZIWHRDSSA-N 2 1 373.497 0.804 20 0 FCADMP CNC(=O)CN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000518814438 490952666 /nfs/dbraw/zinc/95/26/66/490952666.db2.gz FHPNPEKPZSWXCI-QGZVFWFLSA-N 2 1 373.501 0.620 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000518814438 490952669 /nfs/dbraw/zinc/95/26/69/490952669.db2.gz FHPNPEKPZSWXCI-QGZVFWFLSA-N 2 1 373.501 0.620 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970591 490957276 /nfs/dbraw/zinc/95/72/76/490957276.db2.gz JAUNKWXJDODRMB-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000518970591 490957279 /nfs/dbraw/zinc/95/72/79/490957279.db2.gz JAUNKWXJDODRMB-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000518970591 490957282 /nfs/dbraw/zinc/95/72/82/490957282.db2.gz JAUNKWXJDODRMB-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000518979217 490957357 /nfs/dbraw/zinc/95/73/57/490957357.db2.gz CHMZPYYTBJNTKZ-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000518995707 490958500 /nfs/dbraw/zinc/95/85/00/490958500.db2.gz GNZYDYAWGWLWQK-RCCFBDPRSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C1 ZINC000518995707 490958502 /nfs/dbraw/zinc/95/85/02/490958502.db2.gz GNZYDYAWGWLWQK-RCCFBDPRSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)C1 ZINC000518995707 490958503 /nfs/dbraw/zinc/95/85/03/490958503.db2.gz GNZYDYAWGWLWQK-RCCFBDPRSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000518995706 490958518 /nfs/dbraw/zinc/95/85/18/490958518.db2.gz GNZYDYAWGWLWQK-KSZLIROESA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C1 ZINC000518995706 490958519 /nfs/dbraw/zinc/95/85/19/490958519.db2.gz GNZYDYAWGWLWQK-KSZLIROESA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)C1 ZINC000518995706 490958520 /nfs/dbraw/zinc/95/85/20/490958520.db2.gz GNZYDYAWGWLWQK-KSZLIROESA-N 2 1 352.523 0.628 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000519407562 490971303 /nfs/dbraw/zinc/97/13/03/490971303.db2.gz PFCGCCZLQSXGKH-UHFFFAOYSA-N 3 1 358.450 0.416 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000544668634 490975225 /nfs/dbraw/zinc/97/52/25/490975225.db2.gz WTRJLVFQMOTVDW-DOTOQJQBSA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000519754825 490988135 /nfs/dbraw/zinc/98/81/35/490988135.db2.gz WVIWFGQWUZSLRS-UHFFFAOYSA-N 2 1 366.531 0.939 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1C ZINC000532265054 490990056 /nfs/dbraw/zinc/99/00/56/490990056.db2.gz FROVEHPPTFQFOU-CVEARBPZSA-N 2 1 364.494 0.663 20 0 FCADMP COCCN(C)C[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166166 /nfs/dbraw/zinc/16/61/66/491166166.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166167 /nfs/dbraw/zinc/16/61/67/491166167.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166168 /nfs/dbraw/zinc/16/61/68/491166168.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[NH+](C)C[C@H](O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166169 /nfs/dbraw/zinc/16/61/69/491166169.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[NH+](C)C[C@H](O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166170 /nfs/dbraw/zinc/16/61/70/491166170.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 2 1 357.539 0.747 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(C)C ZINC000553961865 491166990 /nfs/dbraw/zinc/16/69/90/491166990.db2.gz MWVSXFGLROZBKT-UHFFFAOYSA-N 2 1 370.538 0.839 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000554029322 491170945 /nfs/dbraw/zinc/17/09/45/491170945.db2.gz GKDCGXIPDJVQFP-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC000572480936 491372806 /nfs/dbraw/zinc/37/28/06/491372806.db2.gz FTVBRGGXVVQOEL-UHFFFAOYSA-N 2 1 362.474 0.826 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000565372710 491373160 /nfs/dbraw/zinc/37/31/60/491373160.db2.gz NDRMRMZTRJYIEG-FHLIZLRMSA-N 2 1 371.485 0.387 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270751 493337238 /nfs/dbraw/zinc/33/72/38/493337238.db2.gz PMAMTGCFDQDNGE-NVXWUHKLSA-N 2 1 359.474 0.529 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257037 493337770 /nfs/dbraw/zinc/33/77/70/493337770.db2.gz GQEQTAJPYKVCJF-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257037 493337774 /nfs/dbraw/zinc/33/77/74/493337774.db2.gz GQEQTAJPYKVCJF-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257037 493337775 /nfs/dbraw/zinc/33/77/75/493337775.db2.gz GQEQTAJPYKVCJF-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257037 493337778 /nfs/dbraw/zinc/33/77/78/493337778.db2.gz GQEQTAJPYKVCJF-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000673512510 493338084 /nfs/dbraw/zinc/33/80/84/493338084.db2.gz CVCOYKQPZCGXEB-RZFLPCETSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000673512510 493338087 /nfs/dbraw/zinc/33/80/87/493338087.db2.gz CVCOYKQPZCGXEB-RZFLPCETSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000673512510 493338092 /nfs/dbraw/zinc/33/80/92/493338092.db2.gz CVCOYKQPZCGXEB-RZFLPCETSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000673512510 493338098 /nfs/dbraw/zinc/33/80/98/493338098.db2.gz CVCOYKQPZCGXEB-RZFLPCETSA-N 2 1 353.507 0.788 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557554532 491382360 /nfs/dbraw/zinc/38/23/60/491382360.db2.gz MPDKFALJADESOM-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000557561599 491383217 /nfs/dbraw/zinc/38/32/17/491383217.db2.gz OHMDCVSBUPEYAC-HUUCEWRRSA-N 2 1 366.506 0.202 20 0 FCADMP [NH3+]C[C@H]1CCC[C@H]1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000565651430 491390894 /nfs/dbraw/zinc/39/08/94/491390894.db2.gz DIVXTTRFNNFYEO-HZPDHXFCSA-N 3 1 367.519 0.250 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000565668534 491392450 /nfs/dbraw/zinc/39/24/50/491392450.db2.gz BPBCXQKIKSZAOI-BZUAXINKSA-N 2 1 351.495 0.308 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000565672249 491392969 /nfs/dbraw/zinc/39/29/69/491392969.db2.gz ZFMXLGNALQBTAK-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000557740676 491395072 /nfs/dbraw/zinc/39/50/72/491395072.db2.gz AHGDOZHMEZLLEK-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000557740676 491395073 /nfs/dbraw/zinc/39/50/73/491395073.db2.gz AHGDOZHMEZLLEK-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000557740676 491395074 /nfs/dbraw/zinc/39/50/74/491395074.db2.gz AHGDOZHMEZLLEK-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000557740676 491395075 /nfs/dbraw/zinc/39/50/75/491395075.db2.gz AHGDOZHMEZLLEK-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000557741273 491395113 /nfs/dbraw/zinc/39/51/13/491395113.db2.gz JSFQEICDJGYXTI-INIZCTEOSA-N 3 1 367.538 0.071 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000558210941 491420034 /nfs/dbraw/zinc/42/00/34/491420034.db2.gz WYLBTMNESTUSBT-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP COC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000566168906 491422400 /nfs/dbraw/zinc/42/24/00/491422400.db2.gz XTXYRABGRQNEHO-YLJYHZDGSA-N 2 1 360.502 0.939 20 0 FCADMP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000566180281 491423427 /nfs/dbraw/zinc/42/34/27/491423427.db2.gz APNZADNHBNSLIO-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566244183 491430177 /nfs/dbraw/zinc/43/01/77/491430177.db2.gz DGFVSIMQVFPODD-LSDHHAIUSA-N 2 1 357.520 0.391 20 0 FCADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566244183 491430178 /nfs/dbraw/zinc/43/01/78/491430178.db2.gz DGFVSIMQVFPODD-LSDHHAIUSA-N 2 1 357.520 0.391 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348243 491438345 /nfs/dbraw/zinc/43/83/45/491438345.db2.gz QZPBJIYWTLKQFN-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496565 491448939 /nfs/dbraw/zinc/44/89/39/491448939.db2.gz SAUHAULPYJQSRS-FGTMMUONSA-N 2 1 356.470 0.669 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@@H]1O ZINC000573722902 491450667 /nfs/dbraw/zinc/45/06/67/491450667.db2.gz ZLSPZBGMBRZKGX-YRPNKDGESA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@H]1O ZINC000573722890 491450660 /nfs/dbraw/zinc/45/06/60/491450660.db2.gz ZLSPZBGMBRZKGX-FGYAAKKASA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@H]1O ZINC000573722890 491450661 /nfs/dbraw/zinc/45/06/61/491450661.db2.gz ZLSPZBGMBRZKGX-FGYAAKKASA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@H]1O ZINC000573722890 491450662 /nfs/dbraw/zinc/45/06/62/491450662.db2.gz ZLSPZBGMBRZKGX-FGYAAKKASA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@@H]1O ZINC000573722902 491450668 /nfs/dbraw/zinc/45/06/68/491450668.db2.gz ZLSPZBGMBRZKGX-YRPNKDGESA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)c2)C[C@@H]1O ZINC000573722902 491450669 /nfs/dbraw/zinc/45/06/69/491450669.db2.gz ZLSPZBGMBRZKGX-YRPNKDGESA-N 2 1 364.486 0.037 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000559157466 491456505 /nfs/dbraw/zinc/45/65/05/491456505.db2.gz KCVWUZBANYBJQJ-AWEZNQCLSA-N 2 1 366.487 0.987 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573932094 491463866 /nfs/dbraw/zinc/46/38/66/491463866.db2.gz BWTSMMYWRJLQEQ-CVEARBPZSA-N 2 1 368.547 0.660 20 0 FCADMP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000566787511 491466437 /nfs/dbraw/zinc/46/64/37/491466437.db2.gz FZOFOJZFTJJHHF-INIZCTEOSA-N 2 1 359.474 0.931 20 0 FCADMP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000566787511 491466439 /nfs/dbraw/zinc/46/64/39/491466439.db2.gz FZOFOJZFTJJHHF-INIZCTEOSA-N 2 1 359.474 0.931 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000559360639 491466897 /nfs/dbraw/zinc/46/68/97/491466897.db2.gz MKIHDHOUSYUMDZ-CABCVRRESA-N 2 1 350.463 0.797 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559389924 491469731 /nfs/dbraw/zinc/46/97/31/491469731.db2.gz OCUNCWKXJCTUSS-ZBFHGGJFSA-N 2 1 360.458 0.886 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000559389924 491469732 /nfs/dbraw/zinc/46/97/32/491469732.db2.gz OCUNCWKXJCTUSS-ZBFHGGJFSA-N 2 1 360.458 0.886 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CN1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000566833177 491470029 /nfs/dbraw/zinc/47/00/29/491470029.db2.gz OIOAWOHRDPTWAE-KRWDZBQOSA-N 2 1 356.474 0.951 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000574111990 491475414 /nfs/dbraw/zinc/47/54/14/491475414.db2.gz WEXNGDBTRFKKES-INIZCTEOSA-N 2 1 373.501 0.967 20 0 FCADMP C[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574141729 491476952 /nfs/dbraw/zinc/47/69/52/491476952.db2.gz LKXGSPARNOZWKT-NVXWUHKLSA-N 2 1 350.463 0.239 20 0 FCADMP C[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574141729 491476954 /nfs/dbraw/zinc/47/69/54/491476954.db2.gz LKXGSPARNOZWKT-NVXWUHKLSA-N 2 1 350.463 0.239 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000566963177 491477356 /nfs/dbraw/zinc/47/73/56/491477356.db2.gz FSXNJPAAZDWQDM-CYBMUJFWSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000566963177 491477358 /nfs/dbraw/zinc/47/73/58/491477358.db2.gz FSXNJPAAZDWQDM-CYBMUJFWSA-N 2 1 364.515 0.727 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000574151067 491477729 /nfs/dbraw/zinc/47/77/29/491477729.db2.gz UCERAXHMTSKUIU-RBUKOAKNSA-N 2 1 368.485 0.915 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000559563234 491481667 /nfs/dbraw/zinc/48/16/67/491481667.db2.gz HHZHIQGOIUYUGZ-OAHLLOKOSA-N 2 1 350.507 0.990 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c2ccccc2)CC1 ZINC000567052314 491482919 /nfs/dbraw/zinc/48/29/19/491482919.db2.gz VPHVPKDLSOFOTF-QRVBRYPASA-N 2 1 358.486 0.564 20 0 FCADMP CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484645 /nfs/dbraw/zinc/48/46/45/491484645.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 2 1 361.490 0.038 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567098799 491485647 /nfs/dbraw/zinc/48/56/47/491485647.db2.gz CENZNVQCFMSELR-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@@H+]1CCc2sccc2C1 ZINC000574383923 491492784 /nfs/dbraw/zinc/49/27/84/491492784.db2.gz VEQUFTQQWNUHPU-DZGCQCFKSA-N 2 1 351.520 0.698 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@H+]1CCc2sccc2C1 ZINC000574383923 491492786 /nfs/dbraw/zinc/49/27/86/491492786.db2.gz VEQUFTQQWNUHPU-DZGCQCFKSA-N 2 1 351.520 0.698 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000559748856 491495218 /nfs/dbraw/zinc/49/52/18/491495218.db2.gz HXOMIGXKRYGXNA-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000559763631 491497419 /nfs/dbraw/zinc/49/74/19/491497419.db2.gz QUOKPPUAGSKDIS-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000559763631 491497420 /nfs/dbraw/zinc/49/74/20/491497420.db2.gz QUOKPPUAGSKDIS-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000559763631 491497421 /nfs/dbraw/zinc/49/74/21/491497421.db2.gz QUOKPPUAGSKDIS-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000574452517 491497655 /nfs/dbraw/zinc/49/76/55/491497655.db2.gz BGKDNHAUKFSBHZ-UHFFFAOYSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559781205 491499182 /nfs/dbraw/zinc/49/91/82/491499182.db2.gz WRUUBZNDHPLOEU-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567455978 491507126 /nfs/dbraw/zinc/50/71/26/491507126.db2.gz GCQNTLMASRGSFC-JCGIZDLHSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567455978 491507129 /nfs/dbraw/zinc/50/71/29/491507129.db2.gz GCQNTLMASRGSFC-JCGIZDLHSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C1 ZINC000567480135 491508536 /nfs/dbraw/zinc/50/85/36/491508536.db2.gz BUXVTPGKJWOVQD-GASCZTMLSA-N 2 1 358.486 0.869 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000559905508 491509337 /nfs/dbraw/zinc/50/93/37/491509337.db2.gz VUEBJROTBZXYPL-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559905508 491509338 /nfs/dbraw/zinc/50/93/38/491509338.db2.gz VUEBJROTBZXYPL-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559905508 491509339 /nfs/dbraw/zinc/50/93/39/491509339.db2.gz VUEBJROTBZXYPL-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000567582040 491515171 /nfs/dbraw/zinc/51/51/71/491515171.db2.gz ZSSBUXVGNAYDKP-UHFFFAOYSA-N 2 1 357.451 0.353 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741438 491517306 /nfs/dbraw/zinc/51/73/06/491517306.db2.gz HBWJVTXNALWGAI-IAGOWNOFSA-N 2 1 353.511 0.032 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000574876443 491525435 /nfs/dbraw/zinc/52/54/35/491525435.db2.gz GBPPWUJOVWSCFE-GOSISDBHSA-N 2 1 374.485 0.475 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000567772285 491528693 /nfs/dbraw/zinc/52/86/93/491528693.db2.gz QJWBUUGOBOXERI-HNNXBMFYSA-N 2 1 359.405 0.804 20 0 FCADMP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575056105 491536589 /nfs/dbraw/zinc/53/65/89/491536589.db2.gz TUKUNTONOHOVIO-WMZOPIPTSA-N 2 1 373.501 0.182 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000567901883 491539958 /nfs/dbraw/zinc/53/99/58/491539958.db2.gz VEFIAGRPGFSVHS-DLBZAZTESA-N 2 1 366.506 0.206 20 0 FCADMP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000560664223 491550885 /nfs/dbraw/zinc/55/08/85/491550885.db2.gz ZKRCAFFLOQKUHA-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000560663936 491550960 /nfs/dbraw/zinc/55/09/60/491550960.db2.gz YNRZQYUROHESOG-AYBZRNKSSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560663936 491550961 /nfs/dbraw/zinc/55/09/61/491550961.db2.gz YNRZQYUROHESOG-AYBZRNKSSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000560663936 491550963 /nfs/dbraw/zinc/55/09/63/491550963.db2.gz YNRZQYUROHESOG-AYBZRNKSSA-N 2 1 370.497 0.976 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(C)CCC[NH3+] ZINC000575762752 491559462 /nfs/dbraw/zinc/55/94/62/491559462.db2.gz FMRGAJLKEMTMLQ-UHFFFAOYSA-N 2 1 363.462 0.895 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1=O ZINC000560835339 491559708 /nfs/dbraw/zinc/55/97/08/491559708.db2.gz QXTPVHADQCBWKI-RTBURBONSA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1=O ZINC000560835339 491559709 /nfs/dbraw/zinc/55/97/09/491559709.db2.gz QXTPVHADQCBWKI-RTBURBONSA-N 2 1 372.513 0.782 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560885625 491562006 /nfs/dbraw/zinc/56/20/06/491562006.db2.gz WQRRRMIZLSZHJU-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000568252670 491562856 /nfs/dbraw/zinc/56/28/56/491562856.db2.gz DOYUFBGOZLMGIE-ULQDDVLXSA-N 2 1 371.485 0.624 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000560897901 491563251 /nfs/dbraw/zinc/56/32/51/491563251.db2.gz AZTUABSHTAWURU-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000561012608 491570475 /nfs/dbraw/zinc/57/04/75/491570475.db2.gz LDLSEMUUINOAGW-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000568373558 491572206 /nfs/dbraw/zinc/57/22/06/491572206.db2.gz FZMVBOXZEJVIJZ-UGUYLWEFSA-N 2 1 350.507 0.809 20 0 FCADMP C[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1C[NH2+]C1 ZINC000576036941 491577302 /nfs/dbraw/zinc/57/73/02/491577302.db2.gz BYOQFCDQXWHFEA-QEJZJMRPSA-N 2 1 364.469 0.773 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000584398971 491586378 /nfs/dbraw/zinc/58/63/78/491586378.db2.gz GEUOJVGXSFQQGY-SFHVURJKSA-N 2 1 374.485 0.080 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000673650360 493352769 /nfs/dbraw/zinc/35/27/69/493352769.db2.gz OQJIDUYEGAZRGG-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000660469815 493353546 /nfs/dbraw/zinc/35/35/46/493353546.db2.gz KWEKIAWDBRTCPQ-SFHVURJKSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000660469815 493353550 /nfs/dbraw/zinc/35/35/50/493353550.db2.gz KWEKIAWDBRTCPQ-SFHVURJKSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[N@@H+]1CCOC ZINC000568633378 491595630 /nfs/dbraw/zinc/59/56/30/491595630.db2.gz JDCPFIYOKBOBRW-HZPDHXFCSA-N 2 1 364.494 0.603 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[N@H+]1CCOC ZINC000568633378 491595633 /nfs/dbraw/zinc/59/56/33/491595633.db2.gz JDCPFIYOKBOBRW-HZPDHXFCSA-N 2 1 364.494 0.603 20 0 FCADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661641 493354150 /nfs/dbraw/zinc/35/41/50/493354150.db2.gz JZEJOBOPQPGAKT-ICSRJNTNSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673661641 493354152 /nfs/dbraw/zinc/35/41/52/493354152.db2.gz JZEJOBOPQPGAKT-ICSRJNTNSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673661641 493354154 /nfs/dbraw/zinc/35/41/54/493354154.db2.gz JZEJOBOPQPGAKT-ICSRJNTNSA-N 2 1 361.486 0.850 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000561355567 491600466 /nfs/dbraw/zinc/60/04/66/491600466.db2.gz DMPKMNZPDSJOEQ-INIZCTEOSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000577374686 491616163 /nfs/dbraw/zinc/61/61/63/491616163.db2.gz HFWRTPJXANSHGZ-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)CC1 ZINC000576469585 491617606 /nfs/dbraw/zinc/61/76/06/491617606.db2.gz QCNGMJJAHPXZBG-UHFFFAOYSA-N 3 1 351.539 0.158 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN4CCOC[C@H]4C3)CC2)CC1 ZINC000577413109 491620442 /nfs/dbraw/zinc/62/04/42/491620442.db2.gz QRPMMJNCPMOYOT-LJQANCHMSA-N 2 1 364.534 0.726 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000561623064 491621392 /nfs/dbraw/zinc/62/13/92/491621392.db2.gz YQHDMUOQUJSNPC-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000577475290 491624378 /nfs/dbraw/zinc/62/43/78/491624378.db2.gz LCOKTOAMEJFRCI-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)C ZINC000561743242 491628450 /nfs/dbraw/zinc/62/84/50/491628450.db2.gz MEJNXULIYKEMGI-IAGOWNOFSA-N 2 1 368.522 0.327 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554956 491632084 /nfs/dbraw/zinc/63/20/84/491632084.db2.gz NSMQUCCHWVKXKV-HOTGVXAUSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000577554956 491632086 /nfs/dbraw/zinc/63/20/86/491632086.db2.gz NSMQUCCHWVKXKV-HOTGVXAUSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000577554956 491632089 /nfs/dbraw/zinc/63/20/89/491632089.db2.gz NSMQUCCHWVKXKV-HOTGVXAUSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001720 491646875 /nfs/dbraw/zinc/64/68/75/491646875.db2.gz OOSDDZPSSASEEV-HUUCEWRRSA-N 2 1 350.463 0.769 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000577747434 491648795 /nfs/dbraw/zinc/64/87/95/491648795.db2.gz YEHXYFJRGBXFGP-IAGOWNOFSA-N 2 1 366.531 0.982 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@H]2CC[C@H](C)C2)C1 ZINC000562038155 491650172 /nfs/dbraw/zinc/65/01/72/491650172.db2.gz LLDABTCZUGDYGA-OKZBNKHCSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)[C@H]2CC[C@H](C)C2)C1 ZINC000562038155 491650174 /nfs/dbraw/zinc/65/01/74/491650174.db2.gz LLDABTCZUGDYGA-OKZBNKHCSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)C1 ZINC000562038155 491650177 /nfs/dbraw/zinc/65/01/77/491650177.db2.gz LLDABTCZUGDYGA-OKZBNKHCSA-N 2 1 355.523 0.942 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000569353901 491655067 /nfs/dbraw/zinc/65/50/67/491655067.db2.gz IWFJSWWILDFGGF-CVEARBPZSA-N 2 1 366.506 0.251 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000569353901 491655069 /nfs/dbraw/zinc/65/50/69/491655069.db2.gz IWFJSWWILDFGGF-CVEARBPZSA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000576957110 491660635 /nfs/dbraw/zinc/66/06/35/491660635.db2.gz KDBXFNLRPQYWFY-INIZCTEOSA-N 2 1 364.490 0.446 20 0 FCADMP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1(C)C ZINC000578097302 491669986 /nfs/dbraw/zinc/66/99/86/491669986.db2.gz QZTHJEKESQUKSS-HZPDHXFCSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000578228029 491672622 /nfs/dbraw/zinc/67/26/22/491672622.db2.gz FAEHBZIRMPSWPX-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251754 491673402 /nfs/dbraw/zinc/67/34/02/491673402.db2.gz ODUYYNJZTRMZRL-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251754 491673403 /nfs/dbraw/zinc/67/34/03/491673403.db2.gz ODUYYNJZTRMZRL-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251754 491673404 /nfs/dbraw/zinc/67/34/04/491673404.db2.gz ODUYYNJZTRMZRL-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP COCC1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000578306540 491674221 /nfs/dbraw/zinc/67/42/21/491674221.db2.gz PXGYJYAHVSJLQA-IRXDYDNUSA-N 2 1 368.522 0.945 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313964 491674422 /nfs/dbraw/zinc/67/44/22/491674422.db2.gz GXTHYDAFZRFJAI-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000578337224 491675206 /nfs/dbraw/zinc/67/52/06/491675206.db2.gz YSYOYIYYYLMEPT-QXSJWSMHSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000578337224 491675207 /nfs/dbraw/zinc/67/52/07/491675207.db2.gz YSYOYIYYYLMEPT-QXSJWSMHSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000578551894 491679802 /nfs/dbraw/zinc/67/98/02/491679802.db2.gz MGZRRVZSKYZAHE-MRXNPFEDSA-N 2 1 361.490 0.121 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000578617112 491680820 /nfs/dbraw/zinc/68/08/20/491680820.db2.gz XBNMNXIRGWWVTE-XHSDSOJGSA-N 2 1 359.474 0.819 20 0 FCADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CNC(=O)C[NH3+] ZINC000578624739 491681100 /nfs/dbraw/zinc/68/11/00/491681100.db2.gz QLVWMWBSRXDVCQ-INIZCTEOSA-N 2 1 370.457 0.652 20 0 FCADMP C[N@@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC000578734056 491683233 /nfs/dbraw/zinc/68/32/33/491683233.db2.gz HTYKMZZVELXAAO-HNNXBMFYSA-N 2 1 356.536 0.532 20 0 FCADMP O=C(CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000578970821 491687947 /nfs/dbraw/zinc/68/79/47/491687947.db2.gz RZWUQPVQHCSPGF-UHFFFAOYSA-N 2 1 359.474 0.336 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000579091396 491690689 /nfs/dbraw/zinc/69/06/89/491690689.db2.gz SPJBEEQHVFFSMG-OALUTQOASA-N 2 1 374.533 0.981 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579260372 491694346 /nfs/dbraw/zinc/69/43/46/491694346.db2.gz RDUADCNEFIUJNT-GOSISDBHSA-N 2 1 360.502 0.878 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@H]1C ZINC000579364522 491696462 /nfs/dbraw/zinc/69/64/62/491696462.db2.gz LURBQKVNLHYJDF-CABCVRRESA-N 2 1 361.490 0.819 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000584579604 491708308 /nfs/dbraw/zinc/70/83/08/491708308.db2.gz QXDLNGYSKYBDKJ-SFHVURJKSA-N 2 1 373.501 0.968 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC000584736162 491712377 /nfs/dbraw/zinc/71/23/77/491712377.db2.gz WNCNJMGZXJSTCK-GOSISDBHSA-N 2 1 370.563 0.873 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000580125461 491718728 /nfs/dbraw/zinc/71/87/28/491718728.db2.gz KWUZZPCOGZUHAT-SQWLQELKSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172805 491720117 /nfs/dbraw/zinc/72/01/17/491720117.db2.gz ZXAAZFKGCLKMLB-RDJZCZTQSA-N 2 1 359.474 0.553 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580484583 491733143 /nfs/dbraw/zinc/73/31/43/491733143.db2.gz SYQDUYLIHUNFKQ-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1cc(C)nc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000683663994 493363541 /nfs/dbraw/zinc/36/35/41/493363541.db2.gz YOBAMIKPOCBKOJ-HNNXBMFYSA-N 2 1 359.474 0.922 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000580910240 491751529 /nfs/dbraw/zinc/75/15/29/491751529.db2.gz IMGCUVNTQDGSSU-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000588981618 491753066 /nfs/dbraw/zinc/75/30/66/491753066.db2.gz JKEMDTJXARKWFH-SFHVURJKSA-N 2 1 368.522 0.994 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000590314816 491773375 /nfs/dbraw/zinc/77/33/75/491773375.db2.gz CUWVERRQGGGNQL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000590314816 491773377 /nfs/dbraw/zinc/77/33/77/491773377.db2.gz CUWVERRQGGGNQL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000590314816 491773379 /nfs/dbraw/zinc/77/33/79/491773379.db2.gz CUWVERRQGGGNQL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@H+](CC)C[C@H]3C)n2)[C@@H](C)C1 ZINC000582067598 491796789 /nfs/dbraw/zinc/79/67/89/491796789.db2.gz APKNAIHTOMJEEN-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@H+](CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000582067598 491796790 /nfs/dbraw/zinc/79/67/90/491796790.db2.gz APKNAIHTOMJEEN-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000582067598 491796791 /nfs/dbraw/zinc/79/67/91/491796791.db2.gz APKNAIHTOMJEEN-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)S(C)(=O)=O ZINC000582122844 491798794 /nfs/dbraw/zinc/79/87/94/491798794.db2.gz GVTQKLFVFAVPKU-ARFHVFGLSA-N 2 1 374.551 0.222 20 0 FCADMP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591357417 491803964 /nfs/dbraw/zinc/80/39/64/491803964.db2.gz VEWHBUGSQBAVTQ-QGZVFWFLSA-N 2 1 363.458 0.881 20 0 FCADMP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591357417 491803965 /nfs/dbraw/zinc/80/39/65/491803965.db2.gz VEWHBUGSQBAVTQ-QGZVFWFLSA-N 2 1 363.458 0.881 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000582259196 491804552 /nfs/dbraw/zinc/80/45/52/491804552.db2.gz CUSCXICWNBPSRH-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000582259196 491804553 /nfs/dbraw/zinc/80/45/53/491804553.db2.gz CUSCXICWNBPSRH-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000591437038 491806030 /nfs/dbraw/zinc/80/60/30/491806030.db2.gz LBDVIRZWEOSESN-KRWDZBQOSA-N 2 1 374.485 0.915 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000591437038 491806031 /nfs/dbraw/zinc/80/60/31/491806031.db2.gz LBDVIRZWEOSESN-KRWDZBQOSA-N 2 1 374.485 0.915 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000582414632 491811374 /nfs/dbraw/zinc/81/13/74/491811374.db2.gz QRRXXLZTFOWGDN-RBUKOAKNSA-N 2 1 370.497 0.789 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000582487163 491814477 /nfs/dbraw/zinc/81/44/77/491814477.db2.gz YBHVTVONMNVMBW-JJXSEGSLSA-N 2 1 356.511 0.482 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000591700742 491819791 /nfs/dbraw/zinc/81/97/91/491819791.db2.gz IFBGJHOHOWXWNX-UHFFFAOYSA-N 2 1 354.476 0.312 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@H]21 ZINC000582846036 491829145 /nfs/dbraw/zinc/82/91/45/491829145.db2.gz UVSIKWDPIOPUPP-BRWVUGGUSA-N 2 1 350.507 0.955 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000583371988 491843457 /nfs/dbraw/zinc/84/34/57/491843457.db2.gz WTIBLHPRWSSTIB-NVXWUHKLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467618 491845546 /nfs/dbraw/zinc/84/55/46/491845546.db2.gz JLLVJOMCZZQANO-RDJZCZTQSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000583467618 491845547 /nfs/dbraw/zinc/84/55/47/491845547.db2.gz JLLVJOMCZZQANO-RDJZCZTQSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000583467618 491845548 /nfs/dbraw/zinc/84/55/48/491845548.db2.gz JLLVJOMCZZQANO-RDJZCZTQSA-N 2 1 362.518 0.943 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC(N)=O)CC3)CC2)CC1 ZINC000583509484 491846558 /nfs/dbraw/zinc/84/65/58/491846558.db2.gz OOZPTEKWZCLUGD-UHFFFAOYSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079037 491858037 /nfs/dbraw/zinc/85/80/37/491858037.db2.gz KYEPDXOWUHIFCU-KCYZZUKISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079037 491858038 /nfs/dbraw/zinc/85/80/38/491858038.db2.gz KYEPDXOWUHIFCU-KCYZZUKISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079037 491858039 /nfs/dbraw/zinc/85/80/39/491858039.db2.gz KYEPDXOWUHIFCU-KCYZZUKISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000611672618 491866581 /nfs/dbraw/zinc/86/65/81/491866581.db2.gz IFQBDSUALVVZSY-WMLDXEAASA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000611672618 491866582 /nfs/dbraw/zinc/86/65/82/491866582.db2.gz IFQBDSUALVVZSY-WMLDXEAASA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000611676367 491867707 /nfs/dbraw/zinc/86/77/07/491867707.db2.gz UTCXPAYEXPVOOW-ZMSDIMECSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000611676367 491867709 /nfs/dbraw/zinc/86/77/09/491867709.db2.gz UTCXPAYEXPVOOW-ZMSDIMECSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000611676367 491867712 /nfs/dbraw/zinc/86/77/12/491867712.db2.gz UTCXPAYEXPVOOW-ZMSDIMECSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000611676367 491867714 /nfs/dbraw/zinc/86/77/14/491867714.db2.gz UTCXPAYEXPVOOW-ZMSDIMECSA-N 2 1 366.506 0.345 20 0 FCADMP CN(C(=O)CCCCCNC(N)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472722 491924909 /nfs/dbraw/zinc/92/49/09/491924909.db2.gz PXZFPZWCKLXVDL-MRXNPFEDSA-N 2 1 353.511 0.842 20 0 FCADMP CN(C(=O)CCCCCNC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601472722 491924913 /nfs/dbraw/zinc/92/49/13/491924913.db2.gz PXZFPZWCKLXVDL-MRXNPFEDSA-N 2 1 353.511 0.842 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000612551759 491934222 /nfs/dbraw/zinc/93/42/22/491934222.db2.gz JPAMBEPCBSCEQO-JYJNAYRXSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612599189 491938004 /nfs/dbraw/zinc/93/80/04/491938004.db2.gz QRGZDZDRQIPJOE-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612603757 491938545 /nfs/dbraw/zinc/93/85/45/491938545.db2.gz LLGLKADVQMRTQU-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000597226096 492023559 /nfs/dbraw/zinc/02/35/59/492023559.db2.gz QZZDPMPIOPIMCD-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604654907 492066610 /nfs/dbraw/zinc/06/66/10/492066610.db2.gz WHHHCKSVALBYIO-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604654907 492066612 /nfs/dbraw/zinc/06/66/12/492066612.db2.gz WHHHCKSVALBYIO-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604654907 492066614 /nfs/dbraw/zinc/06/66/14/492066614.db2.gz WHHHCKSVALBYIO-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000606663123 492126083 /nfs/dbraw/zinc/12/60/83/492126083.db2.gz ADAMUHBFONSRMD-INIZCTEOSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665587 492126124 /nfs/dbraw/zinc/12/61/24/492126124.db2.gz HOKCZPMVXGAOSK-WBVHZDCISA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000606678141 492126370 /nfs/dbraw/zinc/12/63/70/492126370.db2.gz YLHVYTFALVOZIZ-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000606678141 492126371 /nfs/dbraw/zinc/12/63/71/492126371.db2.gz YLHVYTFALVOZIZ-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000607228411 492141144 /nfs/dbraw/zinc/14/11/44/492141144.db2.gz NMTMAWHWLGEAOG-GASCZTMLSA-N 2 1 356.511 0.630 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000607228411 492141146 /nfs/dbraw/zinc/14/11/46/492141146.db2.gz NMTMAWHWLGEAOG-GASCZTMLSA-N 2 1 356.511 0.630 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)CC1 ZINC000607245338 492142358 /nfs/dbraw/zinc/14/23/58/492142358.db2.gz LDZGLVJVDVOZKR-KRWDZBQOSA-N 3 1 368.570 0.290 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000607245338 492142359 /nfs/dbraw/zinc/14/23/59/492142359.db2.gz LDZGLVJVDVOZKR-KRWDZBQOSA-N 3 1 368.570 0.290 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691438 492187232 /nfs/dbraw/zinc/18/72/32/492187232.db2.gz SRFDEBODSDIQLB-ZBFHGGJFSA-N 2 1 353.511 0.603 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)CN1CC[NH+](C)CC1 ZINC000608708515 492189098 /nfs/dbraw/zinc/18/90/98/492189098.db2.gz MYBZCCYIOHQMFW-KRWDZBQOSA-N 2 1 360.506 0.797 20 0 FCADMP Cn1nnnc1SCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619177096 492252578 /nfs/dbraw/zinc/25/25/78/492252578.db2.gz AGLONKKGYOQPAW-UHFFFAOYSA-N 2 1 362.463 0.478 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCOCC(=O)OC)CC2)CC1 ZINC000600396238 492266559 /nfs/dbraw/zinc/26/65/59/492266559.db2.gz IVFLNASZZXZRQU-UHFFFAOYSA-N 2 1 355.479 0.489 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000611374366 492287244 /nfs/dbraw/zinc/28/72/44/492287244.db2.gz VDTPLFFKUASINA-GJZGRUSLSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000611374366 492287245 /nfs/dbraw/zinc/28/72/45/492287245.db2.gz VDTPLFFKUASINA-GJZGRUSLSA-N 2 1 354.495 0.996 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627428668 492292374 /nfs/dbraw/zinc/29/23/74/492292374.db2.gz LKFCOTDINPSOGP-AGIUHOORSA-N 2 1 364.412 0.573 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)C1 ZINC000647552519 492303850 /nfs/dbraw/zinc/30/38/50/492303850.db2.gz DKDBXUDIPMQRSD-BEFAXECRSA-N 2 1 370.497 0.889 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641810642 492307019 /nfs/dbraw/zinc/30/70/19/492307019.db2.gz CIOUSCRYRQKCRN-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641810642 492307025 /nfs/dbraw/zinc/30/70/25/492307025.db2.gz CIOUSCRYRQKCRN-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641810642 492307029 /nfs/dbraw/zinc/30/70/29/492307029.db2.gz CIOUSCRYRQKCRN-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)n2)CC1 ZINC000620481830 492313769 /nfs/dbraw/zinc/31/37/69/492313769.db2.gz XWWBOSPINZYPHJ-QGZVFWFLSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)n2)CC1 ZINC000620481829 492314101 /nfs/dbraw/zinc/31/41/01/492314101.db2.gz XWWBOSPINZYPHJ-KRWDZBQOSA-N 2 1 373.501 0.505 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[C@@H]1CC[N@@H+](C)C1 ZINC000647568838 492317495 /nfs/dbraw/zinc/31/74/95/492317495.db2.gz UXKDFQJJGZIHPN-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000647568838 492317499 /nfs/dbraw/zinc/31/74/99/492317499.db2.gz UXKDFQJJGZIHPN-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000647568838 492317501 /nfs/dbraw/zinc/31/75/01/492317501.db2.gz UXKDFQJJGZIHPN-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841141 492318151 /nfs/dbraw/zinc/31/81/51/492318151.db2.gz MFDYCGKNOLNEFP-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841141 492318154 /nfs/dbraw/zinc/31/81/54/492318154.db2.gz MFDYCGKNOLNEFP-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841141 492318155 /nfs/dbraw/zinc/31/81/55/492318155.db2.gz MFDYCGKNOLNEFP-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CN(Cc1c[nH]cn1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841842 492318714 /nfs/dbraw/zinc/31/87/14/492318714.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 1 350.467 0.348 20 0 FCADMP CN(Cc1cnc[nH]1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841842 492318719 /nfs/dbraw/zinc/31/87/19/492318719.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 1 350.467 0.348 20 0 FCADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627504761 492325463 /nfs/dbraw/zinc/32/54/63/492325463.db2.gz FKGSOHFPCHWHDM-JQHSSLGASA-N 2 1 358.486 0.976 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000647597329 492331794 /nfs/dbraw/zinc/33/17/94/492331794.db2.gz DPNPAANIDGELII-CVEARBPZSA-N 2 1 367.538 0.245 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642101818 492335179 /nfs/dbraw/zinc/33/51/79/492335179.db2.gz SXIQJDRIOVCLHB-KZNAEPCWSA-N 2 1 356.470 0.588 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@H]1c1ccccc1 ZINC000642195246 492340058 /nfs/dbraw/zinc/34/00/58/492340058.db2.gz SERHJHQDVOYSFS-XLAORIBOSA-N 2 1 356.470 0.616 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194109 492340291 /nfs/dbraw/zinc/34/02/91/492340291.db2.gz WJMOTKSUMBGAAA-TWOQFEAHSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@@H]1[NH3+] ZINC000642222674 492342397 /nfs/dbraw/zinc/34/23/97/492342397.db2.gz SYXPNAHJAOIUJN-OAGGEKHMSA-N 2 1 354.495 0.045 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253972 492345421 /nfs/dbraw/zinc/34/54/21/492345421.db2.gz USLSQYKDGBZBTN-AEFFLSMTSA-N 2 1 358.486 0.868 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642253874 492345495 /nfs/dbraw/zinc/34/54/95/492345495.db2.gz ODYHQMFZULPSSK-GBESFXJTSA-N 2 1 370.497 0.693 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000642322084 492350052 /nfs/dbraw/zinc/35/00/52/492350052.db2.gz HLUIGYNJDKPIFN-RHSMWYFYSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000642332329 492351867 /nfs/dbraw/zinc/35/18/67/492351867.db2.gz CDQOLGPZGVBVTB-ONIAQPFYSA-N 2 1 374.485 0.513 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642330579 492352012 /nfs/dbraw/zinc/35/20/12/492352012.db2.gz XMEWSCHSTRGIKX-NNXHMXCWSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000647818322 492365142 /nfs/dbraw/zinc/36/51/42/492365142.db2.gz MTXYNYZRFZATQG-YESZJQIVSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835047 492368614 /nfs/dbraw/zinc/36/86/14/492368614.db2.gz KKNVOQMTFRZECG-CVEARBPZSA-N 2 1 362.474 0.168 20 0 FCADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835047 492368618 /nfs/dbraw/zinc/36/86/18/492368618.db2.gz KKNVOQMTFRZECG-CVEARBPZSA-N 2 1 362.474 0.168 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647832022 492368629 /nfs/dbraw/zinc/36/86/29/492368629.db2.gz SYLWSELGCQXFCD-ZACQAIPSSA-N 2 1 366.506 0.251 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640960 492368894 /nfs/dbraw/zinc/36/88/94/492368894.db2.gz SGZCAMBSGSIKRG-FGTMMUONSA-N 2 1 358.486 0.739 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640886 492369147 /nfs/dbraw/zinc/36/91/47/492369147.db2.gz ISOVKRBOMSCCRY-NCXUSEDFSA-N 2 1 370.497 0.963 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640885 492369465 /nfs/dbraw/zinc/36/94/65/492369465.db2.gz ISOVKRBOMSCCRY-AKHDSKFASA-N 2 1 370.497 0.963 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000647835966 492370263 /nfs/dbraw/zinc/37/02/63/492370263.db2.gz WRXGVAGEFJVRDK-UHFFFAOYSA-N 2 1 355.486 0.890 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000647835966 492370264 /nfs/dbraw/zinc/37/02/64/492370264.db2.gz WRXGVAGEFJVRDK-UHFFFAOYSA-N 2 1 355.486 0.890 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642680342 492372801 /nfs/dbraw/zinc/37/28/01/492372801.db2.gz ZECHYOSGVAICCN-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000642680524 492372818 /nfs/dbraw/zinc/37/28/18/492372818.db2.gz VCBAYOWVMRCFLD-QWHCGFSZSA-N 2 1 366.428 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000642680524 492372822 /nfs/dbraw/zinc/37/28/22/492372822.db2.gz VCBAYOWVMRCFLD-QWHCGFSZSA-N 2 1 366.428 0.963 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699642 492375785 /nfs/dbraw/zinc/37/57/85/492375785.db2.gz DMQXSWORQAGIPB-YJBOKZPZSA-N 2 1 358.486 0.881 20 0 FCADMP O=S(=O)(Cc1ccon1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647889962 492378877 /nfs/dbraw/zinc/37/88/77/492378877.db2.gz AVJAJCUOZUYNSN-UHFFFAOYSA-N 2 1 356.492 0.902 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000654945763 492382451 /nfs/dbraw/zinc/38/24/51/492382451.db2.gz DRDVNGVPEHBARI-CVEARBPZSA-N 2 1 362.478 0.516 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000654947964 492384111 /nfs/dbraw/zinc/38/41/11/492384111.db2.gz XDHIXLRJUIBUCS-HUUCEWRRSA-N 2 1 362.478 0.516 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744984 492384792 /nfs/dbraw/zinc/38/47/92/492384792.db2.gz VSGJYJNWEPOJOB-QAPCUYQASA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744984 492384797 /nfs/dbraw/zinc/38/47/97/492384797.db2.gz VSGJYJNWEPOJOB-QAPCUYQASA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000642750490 492385271 /nfs/dbraw/zinc/38/52/71/492385271.db2.gz FODMATWKRAWVJN-PMPSAXMXSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642756708 492386588 /nfs/dbraw/zinc/38/65/88/492386588.db2.gz ZJGGVIZHSWINGA-CGTJXYLNSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642759556 492387139 /nfs/dbraw/zinc/38/71/39/492387139.db2.gz PYQHUJWZPDXYQT-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000647967712 492388927 /nfs/dbraw/zinc/38/89/27/492388927.db2.gz XACDSZGUJKXGTB-QYZOEREBSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000647967712 492388930 /nfs/dbraw/zinc/38/89/30/492388930.db2.gz XACDSZGUJKXGTB-QYZOEREBSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000647967712 492388933 /nfs/dbraw/zinc/38/89/33/492388933.db2.gz XACDSZGUJKXGTB-QYZOEREBSA-N 2 1 358.571 0.395 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975582 492389677 /nfs/dbraw/zinc/38/96/77/492389677.db2.gz CEBPFFZVDNMOCR-VQHPVUNQSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978726 492390433 /nfs/dbraw/zinc/39/04/33/492390433.db2.gz XIFNJKOSJCWTFE-MSOLQXFVSA-N 2 1 372.517 0.837 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978171 492390497 /nfs/dbraw/zinc/39/04/97/492390497.db2.gz NQYCQOSLOQNJMU-LSDHHAIUSA-N 2 1 374.489 0.145 20 0 FCADMP CNC(=O)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000647983530 492390649 /nfs/dbraw/zinc/39/06/49/492390649.db2.gz DTTAMJOMFKFWIO-NEWSRXKRSA-N 2 1 374.485 0.418 20 0 FCADMP CC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000621580651 492393780 /nfs/dbraw/zinc/39/37/80/492393780.db2.gz PIZLRBMMPHNQTN-NVXWUHKLSA-N 2 1 351.495 0.417 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000642808936 492396725 /nfs/dbraw/zinc/39/67/25/492396725.db2.gz KKLXLNSGXNBRHR-RDJZCZTQSA-N 2 1 364.465 0.960 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)C1 ZINC000642889229 492397571 /nfs/dbraw/zinc/39/75/71/492397571.db2.gz DDOURNSGZDWVSF-INIZCTEOSA-N 2 1 365.522 0.003 20 0 FCADMP O=C(CC[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000621645327 492399991 /nfs/dbraw/zinc/39/99/91/492399991.db2.gz FEVYOUGMTZARIO-KRWDZBQOSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000642903207 492400023 /nfs/dbraw/zinc/40/00/23/492400023.db2.gz DZZQUFOEXLDRGF-VQHPVUNQSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000642918060 492403240 /nfs/dbraw/zinc/40/32/40/492403240.db2.gz LNGLGPBTBDHHOB-MRXNPFEDSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NCC1C[NH2+]C1 ZINC000642927095 492405013 /nfs/dbraw/zinc/40/50/13/492405013.db2.gz PKKYFUQADWSMDT-INIZCTEOSA-N 2 1 364.877 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642980723 492410002 /nfs/dbraw/zinc/41/00/02/492410002.db2.gz KWYMCSVQWUTXMB-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642980723 492410005 /nfs/dbraw/zinc/41/00/05/492410005.db2.gz KWYMCSVQWUTXMB-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000642980617 492410070 /nfs/dbraw/zinc/41/00/70/492410070.db2.gz IMWRGIDTFDICDN-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000642980617 492410073 /nfs/dbraw/zinc/41/00/73/492410073.db2.gz IMWRGIDTFDICDN-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000642980598 492410314 /nfs/dbraw/zinc/41/03/14/492410314.db2.gz IBYPDXPWYYIIQT-GOSISDBHSA-N 2 1 358.486 0.632 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000642989654 492412047 /nfs/dbraw/zinc/41/20/47/492412047.db2.gz BSHQYPJRDHXADV-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642994821 492413141 /nfs/dbraw/zinc/41/31/41/492413141.db2.gz RSDPXENFLCBWSD-UHFFFAOYSA-N 2 1 360.449 0.811 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643007700 492413282 /nfs/dbraw/zinc/41/32/82/492413282.db2.gz XSLLWAZJXNNZGS-RCCFBDPRSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000621839503 492422180 /nfs/dbraw/zinc/42/21/80/492422180.db2.gz UHTUNBNNRMMVBM-MDYRTPRTSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512571 492463122 /nfs/dbraw/zinc/46/31/22/492463122.db2.gz OAHIQUKEALONEW-MSOLQXFVSA-N 2 1 350.507 0.478 20 0 FCADMP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000655671237 492475655 /nfs/dbraw/zinc/47/56/55/492475655.db2.gz IYLNCMPOBUYBGD-JKSUJKDBSA-N 2 1 354.495 0.507 20 0 FCADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000655671237 492475658 /nfs/dbraw/zinc/47/56/58/492475658.db2.gz IYLNCMPOBUYBGD-JKSUJKDBSA-N 2 1 354.495 0.507 20 0 FCADMP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000655671236 492475742 /nfs/dbraw/zinc/47/57/42/492475742.db2.gz IYLNCMPOBUYBGD-HZPDHXFCSA-N 2 1 354.495 0.507 20 0 FCADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000655671236 492475744 /nfs/dbraw/zinc/47/57/44/492475744.db2.gz IYLNCMPOBUYBGD-HZPDHXFCSA-N 2 1 354.495 0.507 20 0 FCADMP c1cnc(N2CCN(CCC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)nc1 ZINC000655686751 492476137 /nfs/dbraw/zinc/47/61/37/492476137.db2.gz BZLFCJKHXXIDGF-IBGZPJMESA-N 2 1 374.533 0.832 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643480994 492477186 /nfs/dbraw/zinc/47/71/86/492477186.db2.gz SSUMXBKHEROUOF-MOPGFXCFSA-N 2 1 370.497 0.789 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000643480796 492477539 /nfs/dbraw/zinc/47/75/39/492477539.db2.gz JPPJTPOTVORDED-OALUTQOASA-N 2 1 370.497 0.584 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733891 492478787 /nfs/dbraw/zinc/47/87/87/492478787.db2.gz UTEXEQPYFLQWAO-DJIMGWMZSA-N 2 1 359.536 0.937 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643489775 492479691 /nfs/dbraw/zinc/47/96/91/492479691.db2.gz LDEYEXAXCFJALZ-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000655744666 492479927 /nfs/dbraw/zinc/47/99/27/492479927.db2.gz RZTKFZMHOHAYEJ-OGWOLHLISA-N 2 1 364.490 0.940 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@@H](C)O1 ZINC000643498031 492482665 /nfs/dbraw/zinc/48/26/65/492482665.db2.gz KRYDEUSYWALQTP-OAGGEKHMSA-N 2 1 366.506 0.426 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000643500337 492482919 /nfs/dbraw/zinc/48/29/19/492482919.db2.gz FUAGZHXXKFQQBM-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000643503515 492483843 /nfs/dbraw/zinc/48/38/43/492483843.db2.gz LNUYVVJIFPJITO-HOCLYGCPSA-N 2 1 352.479 0.038 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H]1CC ZINC000643512768 492485670 /nfs/dbraw/zinc/48/56/70/492485670.db2.gz YUHKXGAKEHXWSB-ULQDDVLXSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H]1CC ZINC000643512768 492485674 /nfs/dbraw/zinc/48/56/74/492485674.db2.gz YUHKXGAKEHXWSB-ULQDDVLXSA-N 2 1 366.506 0.156 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643513330 492486445 /nfs/dbraw/zinc/48/64/45/492486445.db2.gz WDADVJFRQVOJPR-HRCADAONSA-N 2 1 359.474 0.677 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643523863 492489795 /nfs/dbraw/zinc/48/97/95/492489795.db2.gz FBBLNBHPLWEHHE-PBWTXFEYSA-N 2 1 370.497 0.786 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643523863 492489799 /nfs/dbraw/zinc/48/97/99/492489799.db2.gz FBBLNBHPLWEHHE-PBWTXFEYSA-N 2 1 370.497 0.786 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643527867 492491371 /nfs/dbraw/zinc/49/13/71/492491371.db2.gz UJFDHTHALMTLQU-NVXWUHKLSA-N 2 1 372.469 0.970 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000643531880 492492396 /nfs/dbraw/zinc/49/23/96/492492396.db2.gz RFVJRLFMBOEXJA-PXNSSMCTSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000643539492 492493815 /nfs/dbraw/zinc/49/38/15/492493815.db2.gz PGIWLUNDFWZSCC-CVEARBPZSA-N 2 1 368.522 0.389 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643540882 492494472 /nfs/dbraw/zinc/49/44/72/492494472.db2.gz DLAFQIXSERNFFU-YTQUADARSA-N 2 1 370.497 0.787 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)CC(O)CC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000649084392 492497136 /nfs/dbraw/zinc/49/71/36/492497136.db2.gz YKDPSCATRBPEDF-HOTGVXAUSA-N 2 1 368.522 0.044 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549858 492497698 /nfs/dbraw/zinc/49/76/98/492497698.db2.gz WRWRUWNUNHJHQV-CWLKWCNXSA-N 2 1 360.502 0.672 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)CC[C@H]21 ZINC000643549855 492497784 /nfs/dbraw/zinc/49/77/84/492497784.db2.gz WRMWEFGEZVWMRT-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022773 492520667 /nfs/dbraw/zinc/52/06/67/492520667.db2.gz LVOQNTMOKWNGEL-GBJTYRQASA-N 2 1 352.479 0.349 20 0 FCADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000635929064 492530136 /nfs/dbraw/zinc/53/01/36/492530136.db2.gz FDEAYPVPUQWQBQ-CQSZACIVSA-N 2 1 360.458 0.623 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000636023634 492541479 /nfs/dbraw/zinc/54/14/79/492541479.db2.gz PMHWUZVLCJCKEY-GOSISDBHSA-N 2 1 364.534 0.916 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649350473 492543531 /nfs/dbraw/zinc/54/35/31/492543531.db2.gz FUBHRHWMOYYFBC-LJQANCHMSA-N 2 1 360.502 0.676 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649350472 492544029 /nfs/dbraw/zinc/54/40/29/492544029.db2.gz FUBHRHWMOYYFBC-IBGZPJMESA-N 2 1 360.502 0.676 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C[C@H]2[NH3+])cn1 ZINC000649369638 492548203 /nfs/dbraw/zinc/54/82/03/492548203.db2.gz IPDNGOYWRWYZMO-KSZLIROESA-N 2 1 354.458 0.733 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C[C@H]2[NH3+])cn1 ZINC000649369638 492548206 /nfs/dbraw/zinc/54/82/06/492548206.db2.gz IPDNGOYWRWYZMO-KSZLIROESA-N 2 1 354.458 0.733 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000656308165 492582174 /nfs/dbraw/zinc/58/21/74/492582174.db2.gz YNGQIGUAEZGKKD-UAGQMJEPSA-N 2 1 350.507 0.966 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000656319885 492591045 /nfs/dbraw/zinc/59/10/45/492591045.db2.gz DZOZHFBALDDYTC-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656353974 492609111 /nfs/dbraw/zinc/60/91/11/492609111.db2.gz ADUFPUJHPWUVBU-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000624033863 492614380 /nfs/dbraw/zinc/61/43/80/492614380.db2.gz XBAYLASHBPSANW-GOSISDBHSA-N 2 1 373.501 0.526 20 0 FCADMP C[C@H]1C[NH+](CCOc2ccc(CCNc3nc(N)nc(N)[nH+]3)cc2)C[C@@H]1C ZINC000624085385 492619329 /nfs/dbraw/zinc/61/93/29/492619329.db2.gz QXYFCSSZFRYBBB-KBPBESRZSA-N 2 1 371.489 0.740 20 0 FCADMP CC[NH2+]Cc1ccn(Cc2cn(C[C@@H]3C[N@@H+](CC(C)C)CCO3)nn2)n1 ZINC000656448154 492622991 /nfs/dbraw/zinc/62/29/91/492622991.db2.gz GXZNLMYILXTZHS-SFHVURJKSA-N 2 1 361.494 0.989 20 0 FCADMP O=C(N1CCNCC1)N1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000629547676 492643520 /nfs/dbraw/zinc/64/35/20/492643520.db2.gz UBZDHPJSESKADQ-QGZVFWFLSA-N 2 1 363.506 0.563 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071124 492644824 /nfs/dbraw/zinc/64/48/24/492644824.db2.gz WUDSOVOVJFJFDK-YRPNKDGESA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071124 492644827 /nfs/dbraw/zinc/64/48/27/492644827.db2.gz WUDSOVOVJFJFDK-YRPNKDGESA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000644071124 492644830 /nfs/dbraw/zinc/64/48/30/492644830.db2.gz WUDSOVOVJFJFDK-YRPNKDGESA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000644071124 492644834 /nfs/dbraw/zinc/64/48/34/492644834.db2.gz WUDSOVOVJFJFDK-YRPNKDGESA-N 2 1 373.497 0.991 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000636636428 492644864 /nfs/dbraw/zinc/64/48/64/492644864.db2.gz RBBXZGUPIXBGFQ-VQHPVUNQSA-N 2 1 367.538 0.992 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)CCOCC[NH3+])CC1 ZINC000629578159 492654810 /nfs/dbraw/zinc/65/48/10/492654810.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 2 1 362.518 0.936 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629578159 492654812 /nfs/dbraw/zinc/65/48/12/492654812.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 3 1 362.518 0.936 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629578159 492654813 /nfs/dbraw/zinc/65/48/13/492654813.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 3 1 362.518 0.936 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CCOCC[NH3+])CC1 ZINC000629578159 492654815 /nfs/dbraw/zinc/65/48/15/492654815.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 3 1 362.518 0.936 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CCOCC[NH3+])CC1 ZINC000629578159 492654817 /nfs/dbraw/zinc/65/48/17/492654817.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 3 1 362.518 0.936 20 0 FCADMP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2)C1 ZINC000629578730 492655419 /nfs/dbraw/zinc/65/54/19/492655419.db2.gz MEEFWDBTBPFOBX-MRXNPFEDSA-N 2 1 368.522 0.391 20 0 FCADMP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2)C1 ZINC000629578730 492655423 /nfs/dbraw/zinc/65/54/23/492655423.db2.gz MEEFWDBTBPFOBX-MRXNPFEDSA-N 2 1 368.522 0.391 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000629792667 492673522 /nfs/dbraw/zinc/67/35/22/492673522.db2.gz XGUMHYVCLOYZCT-UHFFFAOYSA-N 2 1 368.522 0.535 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000624774553 492681981 /nfs/dbraw/zinc/68/19/81/492681981.db2.gz RHLYNAGRQGQHHM-HNNXBMFYSA-N 2 1 356.474 0.860 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000624774553 492681983 /nfs/dbraw/zinc/68/19/83/492681983.db2.gz RHLYNAGRQGQHHM-HNNXBMFYSA-N 2 1 356.474 0.860 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753862 492682296 /nfs/dbraw/zinc/68/22/96/492682296.db2.gz ZTYCZFCCQCXYMJ-MOPGFXCFSA-N 2 1 360.502 0.917 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000629809533 492683089 /nfs/dbraw/zinc/68/30/89/492683089.db2.gz GWEFEDKDLKFNJZ-XHSDSOJGSA-N 2 1 359.474 0.647 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629812057 492685292 /nfs/dbraw/zinc/68/52/92/492685292.db2.gz FVKORDGXSDPUIC-STQMWFEESA-N 2 1 364.412 0.525 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)cn1 ZINC000644363177 492725149 /nfs/dbraw/zinc/72/51/49/492725149.db2.gz DLGUCSSQHXDACU-OAGGEKHMSA-N 2 1 350.467 0.554 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636960854 492738134 /nfs/dbraw/zinc/73/81/34/492738134.db2.gz NLSBLPDEHPVIKE-YJBOKZPZSA-N 2 1 361.490 0.973 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(-c3ncc(Br)cn3)nn2)CC1 ZINC000630593162 492754190 /nfs/dbraw/zinc/75/41/90/492754190.db2.gz ICPIYNLGMWSJPA-UHFFFAOYSA-N 2 1 352.240 0.785 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000637036511 492755738 /nfs/dbraw/zinc/75/57/38/492755738.db2.gz LCHQRXWFYMUMLG-ZWKOTPCHSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000637036511 492755741 /nfs/dbraw/zinc/75/57/41/492755741.db2.gz LCHQRXWFYMUMLG-ZWKOTPCHSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000637036511 492755743 /nfs/dbraw/zinc/75/57/43/492755743.db2.gz LCHQRXWFYMUMLG-ZWKOTPCHSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644446524 492757008 /nfs/dbraw/zinc/75/70/08/492757008.db2.gz COUZMJAZEIGEAT-KURKYZTESA-N 2 1 367.538 0.299 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000644589272 492789223 /nfs/dbraw/zinc/78/92/23/492789223.db2.gz MGJDLVFQYWFLJX-DLBZAZTESA-N 2 1 359.474 0.822 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000644589272 492789227 /nfs/dbraw/zinc/78/92/27/492789227.db2.gz MGJDLVFQYWFLJX-DLBZAZTESA-N 2 1 359.474 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000644648633 492795658 /nfs/dbraw/zinc/79/56/58/492795658.db2.gz UKSRJSMNEFWVCQ-JZXOWHBKSA-N 2 1 366.506 0.582 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000644648633 492795662 /nfs/dbraw/zinc/79/56/62/492795662.db2.gz UKSRJSMNEFWVCQ-JZXOWHBKSA-N 2 1 366.506 0.582 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000625525538 492811435 /nfs/dbraw/zinc/81/14/35/492811435.db2.gz WXAZKXKKUILOFA-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000625525538 492811437 /nfs/dbraw/zinc/81/14/37/492811437.db2.gz WXAZKXKKUILOFA-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000625525538 492811439 /nfs/dbraw/zinc/81/14/39/492811439.db2.gz WXAZKXKKUILOFA-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000625525538 492811441 /nfs/dbraw/zinc/81/14/41/492811441.db2.gz WXAZKXKKUILOFA-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373160 492813206 /nfs/dbraw/zinc/81/32/06/492813206.db2.gz NHHUBFXJHLTQDA-YJBOKZPZSA-N 2 1 351.495 0.454 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373160 492813207 /nfs/dbraw/zinc/81/32/07/492813207.db2.gz NHHUBFXJHLTQDA-YJBOKZPZSA-N 2 1 351.495 0.454 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373160 492813208 /nfs/dbraw/zinc/81/32/08/492813208.db2.gz NHHUBFXJHLTQDA-YJBOKZPZSA-N 2 1 351.495 0.454 20 0 FCADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373475 492813423 /nfs/dbraw/zinc/81/34/23/492813423.db2.gz QCQWUEJKMVYKEZ-JYJNAYRXSA-N 2 1 351.495 0.594 20 0 FCADMP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830216 492858619 /nfs/dbraw/zinc/85/86/19/492858619.db2.gz MMHNHONSLNUFTE-HUUCEWRRSA-N 2 1 356.478 0.778 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846019 492860925 /nfs/dbraw/zinc/86/09/25/492860925.db2.gz QMECVGPMIGRUCW-HOCLYGCPSA-N 2 1 356.430 0.798 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846019 492860930 /nfs/dbraw/zinc/86/09/30/492860930.db2.gz QMECVGPMIGRUCW-HOCLYGCPSA-N 2 1 356.430 0.798 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)nn1 ZINC000631846481 492861483 /nfs/dbraw/zinc/86/14/83/492861483.db2.gz CPEPPSMESLPARH-YPMHNXCESA-N 2 1 360.384 0.785 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)nn1 ZINC000631846481 492861487 /nfs/dbraw/zinc/86/14/87/492861487.db2.gz CPEPPSMESLPARH-YPMHNXCESA-N 2 1 360.384 0.785 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000637952799 492884035 /nfs/dbraw/zinc/88/40/35/492884035.db2.gz LPBAVWMRSAVPJE-DZGCQCFKSA-N 2 1 367.412 0.867 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652130906 492884644 /nfs/dbraw/zinc/88/46/44/492884644.db2.gz FHKZAIAXNVVLOC-YESZJQIVSA-N 2 1 356.511 0.883 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652130903 492885072 /nfs/dbraw/zinc/88/50/72/492885072.db2.gz FHKZAIAXNVVLOC-BBWFWOEESA-N 2 1 356.511 0.883 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278349 492888156 /nfs/dbraw/zinc/88/81/56/492888156.db2.gz DTDCHMZIVBDKGW-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652154390 492888512 /nfs/dbraw/zinc/88/85/12/492888512.db2.gz DKKREGWUHDECPI-QAETUUGQSA-N 2 1 354.495 0.635 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000631928157 492889472 /nfs/dbraw/zinc/88/94/72/492889472.db2.gz ROIUNSKSPGSYOH-YOEHRIQHSA-N 2 1 356.536 0.864 20 0 FCADMP CCCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645305422 492890405 /nfs/dbraw/zinc/89/04/05/492890405.db2.gz RMDIQUGTMFBNCW-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000645305422 492890407 /nfs/dbraw/zinc/89/04/07/492890407.db2.gz RMDIQUGTMFBNCW-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000645305422 492890411 /nfs/dbraw/zinc/89/04/11/492890411.db2.gz RMDIQUGTMFBNCW-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000625866701 492895518 /nfs/dbraw/zinc/89/55/18/492895518.db2.gz MSEBEZDFFJVVOE-QGZVFWFLSA-N 2 1 359.474 0.877 20 0 FCADMP COc1cccc([C@H]([NH3+])C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000638097991 492904282 /nfs/dbraw/zinc/90/42/82/492904282.db2.gz YRKFCTVVRFXKJH-SJORKVTESA-N 2 1 362.474 0.754 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC2 ZINC000652337562 492911404 /nfs/dbraw/zinc/91/14/04/492911404.db2.gz UTYQQIIOIQKBFW-INIZCTEOSA-N 2 1 361.490 0.862 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645472881 492911780 /nfs/dbraw/zinc/91/17/80/492911780.db2.gz PZUPFHPUKMDYLM-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000638129796 492911904 /nfs/dbraw/zinc/91/19/04/492911904.db2.gz FCXHTWITGJPSLJ-MRXNPFEDSA-N 2 1 362.474 0.300 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000638129796 492911907 /nfs/dbraw/zinc/91/19/07/492911907.db2.gz FCXHTWITGJPSLJ-MRXNPFEDSA-N 2 1 362.474 0.300 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000632022390 492912877 /nfs/dbraw/zinc/91/28/77/492912877.db2.gz IQILLGUFWMWQLO-QGZVFWFLSA-N 2 1 355.504 0.495 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652347677 492913288 /nfs/dbraw/zinc/91/32/88/492913288.db2.gz JHGMVRDZTNKOSJ-OWLYRPNTSA-N 2 1 366.506 0.284 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137402 492915651 /nfs/dbraw/zinc/91/56/51/492915651.db2.gz UPRPLFVHWAMVOI-UHFFFAOYSA-N 2 1 359.518 0.346 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361324 492916197 /nfs/dbraw/zinc/91/61/97/492916197.db2.gz DBZSIQDQDHKWCZ-BZUAXINKSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361324 492916200 /nfs/dbraw/zinc/91/62/00/492916200.db2.gz DBZSIQDQDHKWCZ-BZUAXINKSA-N 2 1 352.479 0.086 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632036721 492916428 /nfs/dbraw/zinc/91/64/28/492916428.db2.gz AMBBICRMDPFXBU-QGZVFWFLSA-N 2 1 360.568 0.760 20 0 FCADMP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H]1C[C@@H](O)C1 ZINC000626042604 492921400 /nfs/dbraw/zinc/92/14/00/492921400.db2.gz MMEVEZCMTNGQQI-CALCHBBNSA-N 2 1 353.507 0.840 20 0 FCADMP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H]1C[C@@H](O)C1 ZINC000626042604 492921405 /nfs/dbraw/zinc/92/14/05/492921405.db2.gz MMEVEZCMTNGQQI-CALCHBBNSA-N 2 1 353.507 0.840 20 0 FCADMP CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645541400 492923121 /nfs/dbraw/zinc/92/31/21/492923121.db2.gz XSTGMWCMCFDBBR-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645541400 492923126 /nfs/dbraw/zinc/92/31/26/492923126.db2.gz XSTGMWCMCFDBBR-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638222078 492923762 /nfs/dbraw/zinc/92/37/62/492923762.db2.gz IKTSXNGTYWTHGH-USXIJHARSA-N 2 1 357.458 0.826 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@@H+]1C ZINC000652427071 492928907 /nfs/dbraw/zinc/92/89/07/492928907.db2.gz VSSMVYKPIICIFB-IXDOHACOSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000652427071 492928912 /nfs/dbraw/zinc/92/89/12/492928912.db2.gz VSSMVYKPIICIFB-IXDOHACOSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000652427071 492928917 /nfs/dbraw/zinc/92/89/17/492928917.db2.gz VSSMVYKPIICIFB-IXDOHACOSA-N 2 1 353.511 0.127 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000632118455 492933744 /nfs/dbraw/zinc/93/37/44/492933744.db2.gz QXFAZBICVQPKJM-CVEARBPZSA-N 2 1 359.536 0.768 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000632122236 492934257 /nfs/dbraw/zinc/93/42/57/492934257.db2.gz PILWGIVSDMVMRW-DLBZAZTESA-N 2 1 358.552 0.370 20 0 FCADMP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000632160824 492940843 /nfs/dbraw/zinc/94/08/43/492940843.db2.gz LEQLKBPHDPKQGX-ZWKOTPCHSA-N 2 1 372.579 0.760 20 0 FCADMP COC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCC[NH2+]1 ZINC000638425971 492945712 /nfs/dbraw/zinc/94/57/12/492945712.db2.gz POUOBKNGWXYXOX-MDZRGWNJSA-N 2 1 351.491 0.905 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000645688890 492960912 /nfs/dbraw/zinc/96/09/12/492960912.db2.gz CPOHZMBNPCTVRP-INIZCTEOSA-N 2 1 371.445 0.329 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000645688890 492960914 /nfs/dbraw/zinc/96/09/14/492960914.db2.gz CPOHZMBNPCTVRP-INIZCTEOSA-N 2 1 371.445 0.329 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652666379 492982493 /nfs/dbraw/zinc/98/24/93/492982493.db2.gz FTPINWPJLFTQDS-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000632371090 492985934 /nfs/dbraw/zinc/98/59/34/492985934.db2.gz UNSDBKCNVALAIY-QGZVFWFLSA-N 2 1 358.552 0.371 20 0 FCADMP C[NH2+]CCCC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925567 492987855 /nfs/dbraw/zinc/98/78/55/492987855.db2.gz ANHAMODDZOYUEG-UHFFFAOYSA-N 2 1 361.490 0.835 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652702334 492994621 /nfs/dbraw/zinc/99/46/21/492994621.db2.gz VEVVTKJVRUBDCM-WIYYLYMNSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652702334 492994624 /nfs/dbraw/zinc/99/46/24/492994624.db2.gz VEVVTKJVRUBDCM-WIYYLYMNSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652702333 492994947 /nfs/dbraw/zinc/99/49/47/492994947.db2.gz VEVVTKJVRUBDCM-RXVVDRJESA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652702333 492994949 /nfs/dbraw/zinc/99/49/49/492994949.db2.gz VEVVTKJVRUBDCM-RXVVDRJESA-N 2 1 372.513 0.878 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652708518 492996661 /nfs/dbraw/zinc/99/66/61/492996661.db2.gz VUPDZQIOJUMASD-QGZVFWFLSA-N 2 1 368.522 0.724 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC000639103509 492996758 /nfs/dbraw/zinc/99/67/58/492996758.db2.gz PKRDJBNBRNAPFD-UHFFFAOYSA-N 2 1 370.515 0.778 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652734557 493011532 /nfs/dbraw/zinc/01/15/32/493011532.db2.gz OSRDEHWWSUUTDH-GVDBMIGSSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C[C@H](C)[N@H+]1C ZINC000652734767 493011599 /nfs/dbraw/zinc/01/15/99/493011599.db2.gz VHTDCFYIKYVOGZ-QEOTZNIISA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C[C@H](C)[N@@H+]1C ZINC000652734767 493011600 /nfs/dbraw/zinc/01/16/00/493011600.db2.gz VHTDCFYIKYVOGZ-QEOTZNIISA-N 2 1 366.506 0.282 20 0 FCADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCO2 ZINC000646104433 493012808 /nfs/dbraw/zinc/01/28/08/493012808.db2.gz DAOUVZDGSNTXLH-UHFFFAOYSA-N 2 1 360.458 0.911 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736939 493013357 /nfs/dbraw/zinc/01/33/57/493013357.db2.gz UJZVDPFLBZQPRO-OTWHNJEPSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736939 493013362 /nfs/dbraw/zinc/01/33/62/493013362.db2.gz UJZVDPFLBZQPRO-OTWHNJEPSA-N 2 1 370.497 0.582 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646223264 493030561 /nfs/dbraw/zinc/03/05/61/493030561.db2.gz FKQAUAOITKMZNJ-RTBURBONSA-N 2 1 360.502 0.548 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682957 493031137 /nfs/dbraw/zinc/03/11/37/493031137.db2.gz NOVITMSWQGZHKG-QGZVFWFLSA-N 2 1 359.474 0.721 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682957 493031142 /nfs/dbraw/zinc/03/11/42/493031142.db2.gz NOVITMSWQGZHKG-QGZVFWFLSA-N 2 1 359.474 0.721 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683489 493031166 /nfs/dbraw/zinc/03/11/66/493031166.db2.gz ZYLDYYXHINHVSB-HOTGVXAUSA-N 2 1 359.474 0.706 20 0 FCADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000639683211 493031200 /nfs/dbraw/zinc/03/12/00/493031200.db2.gz SANXICBLQDEWKT-UHFFFAOYSA-N 2 1 371.485 0.675 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000658757336 493043811 /nfs/dbraw/zinc/04/38/11/493043811.db2.gz IEEWNOBBWGOHJG-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000658757336 493043814 /nfs/dbraw/zinc/04/38/14/493043814.db2.gz IEEWNOBBWGOHJG-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658757336 493043819 /nfs/dbraw/zinc/04/38/19/493043819.db2.gz IEEWNOBBWGOHJG-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000658757336 493043821 /nfs/dbraw/zinc/04/38/21/493043821.db2.gz IEEWNOBBWGOHJG-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+](CCN2CCOCC2)[C@H]2CCSC2)CC1 ZINC000639771811 493048195 /nfs/dbraw/zinc/04/81/95/493048195.db2.gz YAQIKKRWOGYVAD-KRWDZBQOSA-N 2 1 370.563 0.290 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)CC1 ZINC000639771811 493048199 /nfs/dbraw/zinc/04/81/99/493048199.db2.gz YAQIKKRWOGYVAD-KRWDZBQOSA-N 2 1 370.563 0.290 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000626923640 493063730 /nfs/dbraw/zinc/06/37/30/493063730.db2.gz YDXVSCZDFIULAD-AEFFLSMTSA-N 2 1 369.473 0.886 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626947983 493069076 /nfs/dbraw/zinc/06/90/76/493069076.db2.gz LKPXBSKBHSEPAA-QSJFSLAZSA-N 2 1 363.510 0.978 20 0 FCADMP CCN(CC[NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000626971285 493072276 /nfs/dbraw/zinc/07/22/76/493072276.db2.gz CYGBUJRAINTLJN-QGZVFWFLSA-N 2 1 361.490 0.874 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653117481 493073671 /nfs/dbraw/zinc/07/36/71/493073671.db2.gz MXQGZEXXTQAUQE-QZTJIDSGSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626986061 493075658 /nfs/dbraw/zinc/07/56/58/493075658.db2.gz OLZBGKRELMYIIR-IAGOWNOFSA-N 2 1 361.490 0.485 20 0 FCADMP C[N@@H+]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@H](Cc2ccccc2)C1 ZINC000653254033 493086330 /nfs/dbraw/zinc/08/63/30/493086330.db2.gz GQBWBUXSKDKTAS-MSOLQXFVSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@H](Cc2ccccc2)C1 ZINC000653254033 493086334 /nfs/dbraw/zinc/08/63/34/493086334.db2.gz GQBWBUXSKDKTAS-MSOLQXFVSA-N 2 1 358.486 0.712 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653260799 493087544 /nfs/dbraw/zinc/08/75/44/493087544.db2.gz LGPRJRXKBVZYCK-KZNAEPCWSA-N 2 1 352.523 0.901 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185916 493103726 /nfs/dbraw/zinc/10/37/26/493103726.db2.gz LSXWVSKHASRPEM-KRWDZBQOSA-N 2 1 361.490 0.438 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000653385779 493112581 /nfs/dbraw/zinc/11/25/81/493112581.db2.gz GPHQDWUOPQDBEA-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259006 493120758 /nfs/dbraw/zinc/12/07/58/493120758.db2.gz KOARIVQYBNKJFM-ZWKOTPCHSA-N 2 1 373.501 0.261 20 0 FCADMP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000633089405 493120902 /nfs/dbraw/zinc/12/09/02/493120902.db2.gz DVIOXYHTYRQTCO-QZTJIDSGSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000633089405 493120905 /nfs/dbraw/zinc/12/09/05/493120905.db2.gz DVIOXYHTYRQTCO-QZTJIDSGSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000633089405 493120908 /nfs/dbraw/zinc/12/09/08/493120908.db2.gz DVIOXYHTYRQTCO-QZTJIDSGSA-N 2 1 367.538 0.375 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633097810 493124097 /nfs/dbraw/zinc/12/40/97/493124097.db2.gz TVJYVKIUPJFLCL-FGTMMUONSA-N 2 1 356.470 0.682 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633150499 493136646 /nfs/dbraw/zinc/13/66/46/493136646.db2.gz YTQFPXRSLYRYPV-NVXWUHKLSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633149380 493136877 /nfs/dbraw/zinc/13/68/77/493136877.db2.gz XFWDPQMGMAWWQK-BPQIPLTHSA-N 2 1 358.486 0.915 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627296161 493139114 /nfs/dbraw/zinc/13/91/14/493139114.db2.gz YERZJEGQQOLZOI-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646988964 493141600 /nfs/dbraw/zinc/14/16/00/493141600.db2.gz YNFGTIHPEDYTRX-PBHICJAKSA-N 2 1 356.536 0.483 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cc(COCC[NH3+])nn2)CC1 ZINC000640875866 493144605 /nfs/dbraw/zinc/14/46/05/493144605.db2.gz BIEIEENRSFUWGX-UHFFFAOYSA-N 2 1 372.473 0.406 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312229 493146929 /nfs/dbraw/zinc/14/69/29/493146929.db2.gz TVYVPSASFXOCTF-RDJZCZTQSA-N 2 1 362.474 0.372 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311960 493147051 /nfs/dbraw/zinc/14/70/51/493147051.db2.gz LOZHBSMYMYZSGR-STNJDDFNSA-N 2 1 364.534 0.927 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000627319796 493150430 /nfs/dbraw/zinc/15/04/30/493150430.db2.gz HJNSTZKLXMIRBD-HNNXBMFYSA-N 2 1 362.474 0.331 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000627319796 493150435 /nfs/dbraw/zinc/15/04/35/493150435.db2.gz HJNSTZKLXMIRBD-HNNXBMFYSA-N 2 1 362.474 0.331 20 0 FCADMP CCCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647040892 493151691 /nfs/dbraw/zinc/15/16/91/493151691.db2.gz AOTKDDJVNUSWJZ-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647040892 493151694 /nfs/dbraw/zinc/15/16/94/493151694.db2.gz AOTKDDJVNUSWJZ-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647040892 493151695 /nfs/dbraw/zinc/15/16/95/493151695.db2.gz AOTKDDJVNUSWJZ-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334764 493158851 /nfs/dbraw/zinc/15/88/51/493158851.db2.gz ZWHLVIDOFRSUSO-INIZCTEOSA-N 2 1 354.495 0.333 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)CC1 ZINC000641048221 493164581 /nfs/dbraw/zinc/16/45/81/493164581.db2.gz ZPCCCLZDTIATFP-KRWDZBQOSA-N 2 1 364.494 0.224 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)CC1 ZINC000641048221 493164585 /nfs/dbraw/zinc/16/45/85/493164585.db2.gz ZPCCCLZDTIATFP-KRWDZBQOSA-N 2 1 364.494 0.224 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ncn(-c4ccccc4)n3)nn2)CC1 ZINC000641095250 493168131 /nfs/dbraw/zinc/16/81/31/493168131.db2.gz FAZIXNUKELEYGF-UHFFFAOYSA-N 2 1 352.446 0.873 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627356583 493173390 /nfs/dbraw/zinc/17/33/90/493173390.db2.gz KOFSYVZYSLGALZ-SZMVWBNQSA-N 2 1 374.485 0.118 20 0 FCADMP [NH3+]Cc1cnn(Cc2cn(Cc3cccc(C[NH+]4CCOCC4)c3)nn2)c1 ZINC000641181371 493176338 /nfs/dbraw/zinc/17/63/38/493176338.db2.gz YCUIOXRFJQAXJQ-UHFFFAOYSA-N 2 1 367.457 0.862 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627361000 493177847 /nfs/dbraw/zinc/17/78/47/493177847.db2.gz CBTYAQHHQKZVOL-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627361000 493177853 /nfs/dbraw/zinc/17/78/53/493177853.db2.gz CBTYAQHHQKZVOL-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)COc3ccccc3F)nn2)CC1 ZINC000641193658 493178036 /nfs/dbraw/zinc/17/80/36/493178036.db2.gz RILASAOVUAPQPG-MRXNPFEDSA-N 2 1 363.437 0.823 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000659470806 493187992 /nfs/dbraw/zinc/18/79/92/493187992.db2.gz HKHRJJWIAWRXPC-UONOGXRCSA-N 2 1 364.450 0.084 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC1 ZINC000659323511 493190273 /nfs/dbraw/zinc/19/02/73/493190273.db2.gz CFGASGQZFYPGNY-DLBZAZTESA-N 2 1 363.506 0.601 20 0 FCADMP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000666670367 493212986 /nfs/dbraw/zinc/21/29/86/493212986.db2.gz ODTBXWGNWJYZJA-QGZVFWFLSA-N 2 1 360.458 0.797 20 0 FCADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH+](C)CC1 ZINC000681765046 493215177 /nfs/dbraw/zinc/21/51/77/493215177.db2.gz VJOOVPKYKFXXQI-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH+](C)CC1 ZINC000681765046 493215182 /nfs/dbraw/zinc/21/51/82/493215182.db2.gz VJOOVPKYKFXXQI-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000659581675 493216142 /nfs/dbraw/zinc/21/61/42/493216142.db2.gz RBOPWSXULUOPAN-MZMPZRCHSA-N 2 1 368.428 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@H]1C[NH3+] ZINC000659607362 493220215 /nfs/dbraw/zinc/22/02/15/493220215.db2.gz AYFDITJFKDWWSP-QBPKDAKJSA-N 2 1 366.506 0.635 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000659617856 493220739 /nfs/dbraw/zinc/22/07/39/493220739.db2.gz WGAYGCVPKRTNFA-NRGCRIOASA-N 2 1 358.486 0.921 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659611980 493221142 /nfs/dbraw/zinc/22/11/42/493221142.db2.gz UVMIHAGXESCJQO-IXDOHACOSA-N 2 1 365.522 0.761 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000666796330 493228150 /nfs/dbraw/zinc/22/81/50/493228150.db2.gz WSKUJJXBTNBDLF-KRWDZBQOSA-N 2 1 373.501 0.583 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672690923 493233526 /nfs/dbraw/zinc/23/35/26/493233526.db2.gz KAZOPQMSLDIRTE-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000672700072 493236294 /nfs/dbraw/zinc/23/62/94/493236294.db2.gz YMYHOKLWABXOTK-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000666942374 493239544 /nfs/dbraw/zinc/23/95/44/493239544.db2.gz GVQUQAQZKMDDJQ-BRWVUGGUSA-N 2 1 366.506 0.602 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672722985 493240075 /nfs/dbraw/zinc/24/00/75/493240075.db2.gz MSRQMBYXZFDGQV-ZNMIVQPWSA-N 2 1 356.511 0.304 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672722985 493240077 /nfs/dbraw/zinc/24/00/77/493240077.db2.gz MSRQMBYXZFDGQV-ZNMIVQPWSA-N 2 1 356.511 0.304 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672722983 493240082 /nfs/dbraw/zinc/24/00/82/493240082.db2.gz MSRQMBYXZFDGQV-RRFJBIMHSA-N 2 1 356.511 0.304 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672722983 493240084 /nfs/dbraw/zinc/24/00/84/493240084.db2.gz MSRQMBYXZFDGQV-RRFJBIMHSA-N 2 1 356.511 0.304 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000666977701 493244094 /nfs/dbraw/zinc/24/40/94/493244094.db2.gz HGIFAZBBRWAGBJ-IAGOWNOFSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000666977134 493244154 /nfs/dbraw/zinc/24/41/54/493244154.db2.gz WZKVUYIXPDDNHB-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000666977134 493244155 /nfs/dbraw/zinc/24/41/55/493244155.db2.gz WZKVUYIXPDDNHB-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000659694344 493257547 /nfs/dbraw/zinc/25/75/47/493257547.db2.gz OBAVLWLHLXINSL-UIBIWLFHSA-N 2 1 360.502 0.983 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709419 493265974 /nfs/dbraw/zinc/26/59/74/493265974.db2.gz ILMMBXIUKQVLSE-SFHVURJKSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659710570 493267033 /nfs/dbraw/zinc/26/70/33/493267033.db2.gz RCFHOYLAWGXYTP-KZNAEPCWSA-N 2 1 362.518 0.968 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733023 493278069 /nfs/dbraw/zinc/27/80/69/493278069.db2.gz CQYMXFCJRMAVCI-UHFFFAOYSA-N 2 1 354.495 0.191 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659735875 493278835 /nfs/dbraw/zinc/27/88/35/493278835.db2.gz KIWPKNLHLOMDJF-OAGGEKHMSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000659738027 493279997 /nfs/dbraw/zinc/27/99/97/493279997.db2.gz YARHFAGVVKMMAY-DZKIICNBSA-N 2 1 352.479 0.084 20 0 FCADMP Cc1noc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000682228532 493280719 /nfs/dbraw/zinc/28/07/19/493280719.db2.gz CGYYAFBUMCOTPF-OAHLLOKOSA-N 2 1 363.462 0.857 20 0 FCADMP Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000682229604 493280754 /nfs/dbraw/zinc/28/07/54/493280754.db2.gz KTMIRIYBNPXVDA-HNNXBMFYSA-N 2 1 362.478 0.294 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659744619 493282686 /nfs/dbraw/zinc/28/26/86/493282686.db2.gz ZASOCUQXBIHQQE-IDYZSHNDSA-N 2 1 370.497 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659744619 493282688 /nfs/dbraw/zinc/28/26/88/493282688.db2.gz ZASOCUQXBIHQQE-IDYZSHNDSA-N 2 1 370.497 0.978 20 0 FCADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000659746443 493283678 /nfs/dbraw/zinc/28/36/78/493283678.db2.gz KWJCQRBCLCUIEK-GOSISDBHSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C1=CC[N@H+](C)CC1 ZINC000682347239 493292694 /nfs/dbraw/zinc/29/26/94/493292694.db2.gz NXTIDYLVBWOPDD-CYBMUJFWSA-N 2 1 354.414 0.972 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C1=CC[N@@H+](C)CC1 ZINC000682347239 493292695 /nfs/dbraw/zinc/29/26/95/493292695.db2.gz NXTIDYLVBWOPDD-CYBMUJFWSA-N 2 1 354.414 0.972 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673427940 493327526 /nfs/dbraw/zinc/32/75/26/493327526.db2.gz SMRWLVDZNGHARL-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000673427940 493327528 /nfs/dbraw/zinc/32/75/28/493327528.db2.gz SMRWLVDZNGHARL-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000673427940 493327532 /nfs/dbraw/zinc/32/75/32/493327532.db2.gz SMRWLVDZNGHARL-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660624865 493367717 /nfs/dbraw/zinc/36/77/17/493367717.db2.gz IQUAITBAIWVIEK-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982736 493379358 /nfs/dbraw/zinc/37/93/58/493379358.db2.gz NKFKNXDOTXCHEP-WMZOPIPTSA-N 2 1 369.579 0.845 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674321577 493407913 /nfs/dbraw/zinc/40/79/13/493407913.db2.gz YWFYZHMCNVQMBO-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674321577 493407915 /nfs/dbraw/zinc/40/79/15/493407915.db2.gz YWFYZHMCNVQMBO-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000661131429 493409905 /nfs/dbraw/zinc/40/99/05/493409905.db2.gz UJURINIXYGAZCW-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795803 493412425 /nfs/dbraw/zinc/41/24/25/493412425.db2.gz HKHYOUDNJXNNHT-CRAIPNDOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795803 493412427 /nfs/dbraw/zinc/41/24/27/493412427.db2.gz HKHYOUDNJXNNHT-CRAIPNDOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000668795803 493412429 /nfs/dbraw/zinc/41/24/29/493412429.db2.gz HKHYOUDNJXNNHT-CRAIPNDOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000668795803 493412434 /nfs/dbraw/zinc/41/24/34/493412434.db2.gz HKHYOUDNJXNNHT-CRAIPNDOSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000661408802 493435371 /nfs/dbraw/zinc/43/53/71/493435371.db2.gz FWIDZXGNISKQJS-WBVHZDCISA-N 2 1 357.458 0.283 20 0 FCADMP O=C1CC[C@@H]2C[NH+](C/C=C\C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595787 493450297 /nfs/dbraw/zinc/45/02/97/493450297.db2.gz DYIFSUMIIDYSHG-YCIJERRISA-N 2 1 360.502 0.744 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000685276926 493472042 /nfs/dbraw/zinc/47/20/42/493472042.db2.gz DKWGIWOYTTVJRB-HUUCEWRRSA-N 2 1 357.458 0.472 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661951288 493478662 /nfs/dbraw/zinc/47/86/62/493478662.db2.gz KXMASLIQOWNFEU-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661985758 493480821 /nfs/dbraw/zinc/48/08/21/493480821.db2.gz XLZVXRVJKGEWPQ-RDJZCZTQSA-N 2 1 368.522 0.726 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000669273729 493487529 /nfs/dbraw/zinc/48/75/29/493487529.db2.gz GGFBLZWTRBGNCQ-YESZJQIVSA-N 2 1 366.506 0.081 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669272741 493487560 /nfs/dbraw/zinc/48/75/60/493487560.db2.gz LOMPDQPJXGEYSE-IAGOWNOFSA-N 2 1 365.522 0.572 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)NC1CCCCC1 ZINC000662260967 493500719 /nfs/dbraw/zinc/50/07/19/493500719.db2.gz DMIKEFLQVBBEMQ-QGZVFWFLSA-N 2 1 350.507 0.574 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000685520002 493500792 /nfs/dbraw/zinc/50/07/92/493500792.db2.gz BNBJIQSRSZYMHI-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000685519471 493501032 /nfs/dbraw/zinc/50/10/32/493501032.db2.gz SUWKHVXZWIRVSK-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000669414897 493502331 /nfs/dbraw/zinc/50/23/31/493502331.db2.gz XYWGLGAWEXGFGF-UHFFFAOYSA-N 2 1 368.570 0.338 20 0 FCADMP C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568541 493504154 /nfs/dbraw/zinc/50/41/54/493504154.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568541 493504156 /nfs/dbraw/zinc/50/41/56/493504156.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568541 493504159 /nfs/dbraw/zinc/50/41/59/493504159.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 2 1 368.566 0.293 20 0 FCADMP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295195 493504700 /nfs/dbraw/zinc/50/47/00/493504700.db2.gz FVKHCKPWSHZHGA-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295195 493504702 /nfs/dbraw/zinc/50/47/02/493504702.db2.gz FVKHCKPWSHZHGA-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491439 493507211 /nfs/dbraw/zinc/50/72/11/493507211.db2.gz ZDKBKDBBOHKIIQ-UONOGXRCSA-N 2 1 363.428 0.606 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669488040 493507246 /nfs/dbraw/zinc/50/72/46/493507246.db2.gz DRQGLXMPZZEOBJ-SQNIBIBYSA-N 2 1 372.517 0.986 20 0 FCADMP Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nnn1[C@H]1CC[NH2+]C1 ZINC000662351824 493509036 /nfs/dbraw/zinc/50/90/36/493509036.db2.gz PAXUOEMSEIBTNC-GJZGRUSLSA-N 2 1 350.467 0.208 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000669594269 493513240 /nfs/dbraw/zinc/51/32/40/493513240.db2.gz RYTNIMWEMISAIN-UHFFFAOYSA-N 2 1 368.570 0.338 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000662529202 493524030 /nfs/dbraw/zinc/52/40/30/493524030.db2.gz RGJONNDUUHICAE-UONOGXRCSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000662529202 493524032 /nfs/dbraw/zinc/52/40/32/493524032.db2.gz RGJONNDUUHICAE-UONOGXRCSA-N 2 1 350.467 0.120 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000662658322 493530229 /nfs/dbraw/zinc/53/02/29/493530229.db2.gz DHIIUAHOKZAULK-IRXDYDNUSA-N 2 1 367.515 0.524 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662697226 493532488 /nfs/dbraw/zinc/53/24/88/493532488.db2.gz CKJWVPXQVHAZJP-DLBZAZTESA-N 2 1 360.458 0.767 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712084 493533664 /nfs/dbraw/zinc/53/36/64/493533664.db2.gz PXJZREPUYLUPND-DOMZBBRYSA-N 2 1 364.412 0.587 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712100 493533922 /nfs/dbraw/zinc/53/39/22/493533922.db2.gz PXJZREPUYLUPND-WFASDCNBSA-N 2 1 364.412 0.587 20 0 FCADMP C[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676246985 493534694 /nfs/dbraw/zinc/53/46/94/493534694.db2.gz YSVPVTUIRSVGBB-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246985 493534696 /nfs/dbraw/zinc/53/46/96/493534696.db2.gz YSVPVTUIRSVGBB-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676250801 493535095 /nfs/dbraw/zinc/53/50/95/493535095.db2.gz JKXMQKFVTFUNOT-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676250801 493535097 /nfs/dbraw/zinc/53/50/97/493535097.db2.gz JKXMQKFVTFUNOT-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000662752796 493537696 /nfs/dbraw/zinc/53/76/96/493537696.db2.gz KSZMKFUDFGGNCQ-AWEZNQCLSA-N 2 1 356.430 0.564 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662871619 493548773 /nfs/dbraw/zinc/54/87/73/493548773.db2.gz ATMBOQPJHUTOBB-HKUYNNGSSA-N 2 1 360.502 0.861 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000670432809 493566328 /nfs/dbraw/zinc/56/63/28/493566328.db2.gz FEXCBWWRXBXTDV-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671179 493586872 /nfs/dbraw/zinc/58/68/72/493586872.db2.gz OUMCBFCIFNFUFJ-IAGOWNOFSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670671179 493586873 /nfs/dbraw/zinc/58/68/73/493586873.db2.gz OUMCBFCIFNFUFJ-IAGOWNOFSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670671179 493586874 /nfs/dbraw/zinc/58/68/74/493586874.db2.gz OUMCBFCIFNFUFJ-IAGOWNOFSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000670671410 493587031 /nfs/dbraw/zinc/58/70/31/493587031.db2.gz CMAQKEFXALKZCB-IRXDYDNUSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000670671329 493587080 /nfs/dbraw/zinc/58/70/80/493587080.db2.gz OQQNFKQCWDSFIQ-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000670671329 493587084 /nfs/dbraw/zinc/58/70/84/493587084.db2.gz OQQNFKQCWDSFIQ-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000670671329 493587087 /nfs/dbraw/zinc/58/70/87/493587087.db2.gz OQQNFKQCWDSFIQ-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671910 493587528 /nfs/dbraw/zinc/58/75/28/493587528.db2.gz CLUQUCBQOJHAFB-WBVHZDCISA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000663479685 493591315 /nfs/dbraw/zinc/59/13/15/493591315.db2.gz JTIYGVZADOMUOF-ROUUACIJSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663479685 493591316 /nfs/dbraw/zinc/59/13/16/493591316.db2.gz JTIYGVZADOMUOF-ROUUACIJSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663479685 493591319 /nfs/dbraw/zinc/59/13/19/493591319.db2.gz JTIYGVZADOMUOF-ROUUACIJSA-N 2 1 368.522 0.584 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000677794359 493616523 /nfs/dbraw/zinc/61/65/23/493616523.db2.gz NYWKQEKHGAVPBW-MOPGFXCFSA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000677794359 493616525 /nfs/dbraw/zinc/61/65/25/493616525.db2.gz NYWKQEKHGAVPBW-MOPGFXCFSA-N 2 1 360.502 0.233 20 0 FCADMP C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000677810914 493617046 /nfs/dbraw/zinc/61/70/46/493617046.db2.gz QKFUSDCTMAPDIZ-GDBMZVCRSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000677810914 493617048 /nfs/dbraw/zinc/61/70/48/493617048.db2.gz QKFUSDCTMAPDIZ-GDBMZVCRSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000670988799 493620634 /nfs/dbraw/zinc/62/06/34/493620634.db2.gz YZAVMGOQGMRGNT-RDJZCZTQSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000670988799 493620636 /nfs/dbraw/zinc/62/06/36/493620636.db2.gz YZAVMGOQGMRGNT-RDJZCZTQSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670988799 493620638 /nfs/dbraw/zinc/62/06/38/493620638.db2.gz YZAVMGOQGMRGNT-RDJZCZTQSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670988799 493620641 /nfs/dbraw/zinc/62/06/41/493620641.db2.gz YZAVMGOQGMRGNT-RDJZCZTQSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104268 493634328 /nfs/dbraw/zinc/63/43/28/493634328.db2.gz NABNNMGGTYPSLD-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107190 493635506 /nfs/dbraw/zinc/63/55/06/493635506.db2.gz GTCNOGWANXTLDY-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000671107190 493635508 /nfs/dbraw/zinc/63/55/08/493635508.db2.gz GTCNOGWANXTLDY-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000671107190 493635510 /nfs/dbraw/zinc/63/55/10/493635510.db2.gz GTCNOGWANXTLDY-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671106627 493635545 /nfs/dbraw/zinc/63/55/45/493635545.db2.gz HZFCDCDMOPIQND-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671106627 493635547 /nfs/dbraw/zinc/63/55/47/493635547.db2.gz HZFCDCDMOPIQND-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671106627 493635548 /nfs/dbraw/zinc/63/55/48/493635548.db2.gz HZFCDCDMOPIQND-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000671134669 493642002 /nfs/dbraw/zinc/64/20/02/493642002.db2.gz IEYLSWZZXMKWJD-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664219541 493645187 /nfs/dbraw/zinc/64/51/87/493645187.db2.gz NHCBGFDLZRLGRX-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000664394781 493657381 /nfs/dbraw/zinc/65/73/81/493657381.db2.gz CXUNDQFHKGUBHE-MRXNPFEDSA-N 2 1 355.527 0.626 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000671390475 493663053 /nfs/dbraw/zinc/66/30/53/493663053.db2.gz RJPJJHRYCQEJIC-WBVHZDCISA-N 2 1 362.474 0.070 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664538337 493666356 /nfs/dbraw/zinc/66/63/56/493666356.db2.gz CWENZLLJQYUIIZ-GOSISDBHSA-N 2 1 367.538 0.253 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000679369667 493676849 /nfs/dbraw/zinc/67/68/49/493676849.db2.gz XMTSAFPEJHFUSZ-CZUORRHYSA-N 2 1 354.414 0.758 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN([C@@H]3CCOC3)CC2)CCCO1 ZINC000664758267 493681751 /nfs/dbraw/zinc/68/17/51/493681751.db2.gz NTPNZPPSBJLQPA-DLBZAZTESA-N 2 1 354.495 0.603 20 0 FCADMP Cn1ncc2c1CCCN(CC(O)C[N@H+]1CCCc3c(cnn3C)C1)C2 ZINC000664779083 493683243 /nfs/dbraw/zinc/68/32/43/493683243.db2.gz BICAXWORXBWKRI-UHFFFAOYSA-N 2 1 358.490 0.711 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509247 493684911 /nfs/dbraw/zinc/68/49/11/493684911.db2.gz BHOKZCVPBCQBLT-DOMZBBRYSA-N 2 1 354.414 0.805 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509247 493684914 /nfs/dbraw/zinc/68/49/14/493684914.db2.gz BHOKZCVPBCQBLT-DOMZBBRYSA-N 2 1 354.414 0.805 20 0 FCADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509800 493685567 /nfs/dbraw/zinc/68/55/67/493685567.db2.gz SKPPLDXFQWFACN-HNNXBMFYSA-N 2 1 374.445 0.679 20 0 FCADMP C[C@@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+](C)C ZINC000664884000 493688768 /nfs/dbraw/zinc/68/87/68/493688768.db2.gz UCGDKIKURHTQGW-HNSVSWJLSA-N 2 1 353.511 0.709 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271271 493707961 /nfs/dbraw/zinc/70/79/61/493707961.db2.gz KNGSOEKUZSDMIA-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000671849290 493708543 /nfs/dbraw/zinc/70/85/43/493708543.db2.gz UBPNSHRHXRJNEH-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872629 493709738 /nfs/dbraw/zinc/70/97/38/493709738.db2.gz AHZQOHKUOGJKEM-RDJZCZTQSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000680520104 493722071 /nfs/dbraw/zinc/72/20/71/493722071.db2.gz JTKGGJSIUQHJAT-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000665727973 493732028 /nfs/dbraw/zinc/73/20/28/493732028.db2.gz PUJKBMISJJPYRQ-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672308618 493753230 /nfs/dbraw/zinc/75/32/30/493753230.db2.gz VJWLVRMVYDNMMB-MRXNPFEDSA-N 2 1 357.458 0.331 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309454 493754037 /nfs/dbraw/zinc/75/40/37/493754037.db2.gz NOJRHVKMBJCFGA-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCO1 ZINC000672309454 493754038 /nfs/dbraw/zinc/75/40/38/493754038.db2.gz NOJRHVKMBJCFGA-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCO1 ZINC000672309454 493754039 /nfs/dbraw/zinc/75/40/39/493754039.db2.gz NOJRHVKMBJCFGA-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310970 493755046 /nfs/dbraw/zinc/75/50/46/493755046.db2.gz QBLIUIOTAZCHEO-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672310970 493755049 /nfs/dbraw/zinc/75/50/49/493755049.db2.gz QBLIUIOTAZCHEO-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672310970 493755051 /nfs/dbraw/zinc/75/50/51/493755051.db2.gz QBLIUIOTAZCHEO-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000666183564 493761056 /nfs/dbraw/zinc/76/10/56/493761056.db2.gz KLYZAGGKOGLXQT-OAHLLOKOSA-N 2 1 350.467 0.508 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729047 533901045 /nfs/dbraw/zinc/90/10/45/533901045.db2.gz GSUVXCHDZFWBOI-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000413443877 534241024 /nfs/dbraw/zinc/24/10/24/534241024.db2.gz RNPBCZFYSZVBJU-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000410557224 534278681 /nfs/dbraw/zinc/27/86/81/534278681.db2.gz MKLIZQGAEMXWCK-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000410557224 534278683 /nfs/dbraw/zinc/27/86/83/534278683.db2.gz MKLIZQGAEMXWCK-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947522421 674358532 /nfs/dbraw/zinc/35/85/32/674358532.db2.gz MYHIJATXAQOSKN-VNQPRFMTSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947522421 674358534 /nfs/dbraw/zinc/35/85/34/674358534.db2.gz MYHIJATXAQOSKN-VNQPRFMTSA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000947964620 674369176 /nfs/dbraw/zinc/36/91/76/674369176.db2.gz HCWIDHQWLSJNJN-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419960694 536448953 /nfs/dbraw/zinc/44/89/53/536448953.db2.gz WQTHEHQIKPPRTL-AEFFLSMTSA-N 2 1 360.502 0.939 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840326 527804720 /nfs/dbraw/zinc/80/47/20/527804720.db2.gz DTJGURQXUSSRJO-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840326 527804727 /nfs/dbraw/zinc/80/47/27/527804727.db2.gz DTJGURQXUSSRJO-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840326 527804731 /nfs/dbraw/zinc/80/47/31/527804731.db2.gz DTJGURQXUSSRJO-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840326 527804735 /nfs/dbraw/zinc/80/47/35/527804735.db2.gz DTJGURQXUSSRJO-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000410731935 527822712 /nfs/dbraw/zinc/82/27/12/527822712.db2.gz QUWHAMQXOLBFTI-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000410731935 527822718 /nfs/dbraw/zinc/82/27/18/527822718.db2.gz QUWHAMQXOLBFTI-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731935 527822725 /nfs/dbraw/zinc/82/27/25/527822725.db2.gz QUWHAMQXOLBFTI-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731935 527822729 /nfs/dbraw/zinc/82/27/29/527822729.db2.gz QUWHAMQXOLBFTI-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000410431098 527824046 /nfs/dbraw/zinc/82/40/46/527824046.db2.gz GSCNZDZEOWYNKL-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000410431101 527824483 /nfs/dbraw/zinc/82/44/83/527824483.db2.gz GSCNZDZEOWYNKL-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000410727411 527843046 /nfs/dbraw/zinc/84/30/46/527843046.db2.gz BANYIAGHTHGCGJ-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000410727411 527843059 /nfs/dbraw/zinc/84/30/59/527843059.db2.gz BANYIAGHTHGCGJ-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000410727411 527843063 /nfs/dbraw/zinc/84/30/63/527843063.db2.gz BANYIAGHTHGCGJ-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000410727411 527843071 /nfs/dbraw/zinc/84/30/71/527843071.db2.gz BANYIAGHTHGCGJ-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410702835 527845446 /nfs/dbraw/zinc/84/54/46/527845446.db2.gz XFDJYUBEAXUOQX-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410702835 527845451 /nfs/dbraw/zinc/84/54/51/527845451.db2.gz XFDJYUBEAXUOQX-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000410916760 528386480 /nfs/dbraw/zinc/38/64/80/528386480.db2.gz QXXULRBOZXBCSJ-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000410916760 528386487 /nfs/dbraw/zinc/38/64/87/528386487.db2.gz QXXULRBOZXBCSJ-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000410916760 528386491 /nfs/dbraw/zinc/38/64/91/528386491.db2.gz QXXULRBOZXBCSJ-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000410916760 528386496 /nfs/dbraw/zinc/38/64/96/528386496.db2.gz QXXULRBOZXBCSJ-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC[N@@H+]1CCOC ZINC000410886846 528388739 /nfs/dbraw/zinc/38/87/39/528388739.db2.gz OXPNOXSEHMCTOQ-KRWDZBQOSA-N 2 1 370.538 0.744 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC[N@H+]1CCOC ZINC000410886846 528388746 /nfs/dbraw/zinc/38/87/46/528388746.db2.gz OXPNOXSEHMCTOQ-KRWDZBQOSA-N 2 1 370.538 0.744 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000410730410 528715910 /nfs/dbraw/zinc/71/59/10/528715910.db2.gz MNCZXXZRJWJVFX-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C ZINC000410730410 528715916 /nfs/dbraw/zinc/71/59/16/528715916.db2.gz MNCZXXZRJWJVFX-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C ZINC000410730410 528715918 /nfs/dbraw/zinc/71/59/18/528715918.db2.gz MNCZXXZRJWJVFX-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C ZINC000410730410 528715921 /nfs/dbraw/zinc/71/59/21/528715921.db2.gz MNCZXXZRJWJVFX-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000412471062 529048783 /nfs/dbraw/zinc/04/87/83/529048783.db2.gz ZKNHJGSBVYCOIR-QGZVFWFLSA-N 2 1 368.522 0.008 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000411027611 529057620 /nfs/dbraw/zinc/05/76/20/529057620.db2.gz OVASTLAAWKZIOJ-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165215 535068616 /nfs/dbraw/zinc/06/86/16/535068616.db2.gz FZKKCNJBXLSCCH-ZWKOTPCHSA-N 2 1 360.502 0.767 20 0 FCADMP CCCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419231480 535194391 /nfs/dbraw/zinc/19/43/91/535194391.db2.gz RWVFHBXXKBSCOW-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@@H+]1C ZINC000415180248 535254248 /nfs/dbraw/zinc/25/42/48/535254248.db2.gz WNRAQIZDUOJDEC-YOEHRIQHSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@H+]1C ZINC000415180248 535254254 /nfs/dbraw/zinc/25/42/54/535254254.db2.gz WNRAQIZDUOJDEC-YOEHRIQHSA-N 2 1 359.474 0.635 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419761642 535297201 /nfs/dbraw/zinc/29/72/01/535297201.db2.gz KUSCZFUAJGKZDF-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC[N@@H+]1CCOC ZINC000423650005 535425642 /nfs/dbraw/zinc/42/56/42/535425642.db2.gz KFUMAAPKSJPUAA-OWCLPIDISA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC[N@H+]1CCOC ZINC000423650005 535425645 /nfs/dbraw/zinc/42/56/45/535425645.db2.gz KFUMAAPKSJPUAA-OWCLPIDISA-N 2 1 354.495 0.141 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419390626 535463052 /nfs/dbraw/zinc/46/30/52/535463052.db2.gz GQXOPCWKIMCDCP-INIZCTEOSA-N 2 1 364.515 0.446 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419390626 535463055 /nfs/dbraw/zinc/46/30/55/535463055.db2.gz GQXOPCWKIMCDCP-INIZCTEOSA-N 2 1 364.515 0.446 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419587887 535477355 /nfs/dbraw/zinc/47/73/55/535477355.db2.gz NWUGHCMWPULJHW-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000439472439 535598266 /nfs/dbraw/zinc/59/82/66/535598266.db2.gz ISPHXCSOQTUWIG-IBGZPJMESA-N 2 1 369.506 0.879 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419422723 535780498 /nfs/dbraw/zinc/78/04/98/535780498.db2.gz XMUCYCRVHQDORC-MSOLQXFVSA-N 2 1 374.485 0.118 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419422723 535780500 /nfs/dbraw/zinc/78/05/00/535780500.db2.gz XMUCYCRVHQDORC-MSOLQXFVSA-N 2 1 374.485 0.118 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)ccc1Cl ZINC000439755208 535993387 /nfs/dbraw/zinc/99/33/87/535993387.db2.gz IDMNGDVHRYBDCF-ZDUSSCGKSA-N 2 1 356.854 0.379 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409185 536150538 /nfs/dbraw/zinc/15/05/38/536150538.db2.gz DTRLBMYAWNUULY-BHYGNILZSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409185 536150543 /nfs/dbraw/zinc/15/05/43/536150543.db2.gz DTRLBMYAWNUULY-BHYGNILZSA-N 2 1 362.474 0.246 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423780270 536302765 /nfs/dbraw/zinc/30/27/65/536302765.db2.gz GHXLDYKXZNRUIO-CZUORRHYSA-N 2 1 351.422 0.964 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423401756 536367287 /nfs/dbraw/zinc/36/72/87/536367287.db2.gz XHYJYYLLVIWWGR-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419853339 536371908 /nfs/dbraw/zinc/37/19/08/536371908.db2.gz AOBYZWNWDAPJHS-SFHVURJKSA-N 2 1 373.501 0.121 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423455945 536416434 /nfs/dbraw/zinc/41/64/34/536416434.db2.gz GFRMCATXYZHVKP-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163118 536417191 /nfs/dbraw/zinc/41/71/91/536417191.db2.gz JCXHCLHCRXJLFC-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419878211 536449205 /nfs/dbraw/zinc/44/92/05/536449205.db2.gz YSEBXFDBXIIFJV-SJLPKXTDSA-N 2 1 358.486 0.820 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@@H]1C ZINC000423893606 536453623 /nfs/dbraw/zinc/45/36/23/536453623.db2.gz LJYKCSCEMCYATQ-HOCLYGCPSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@@H]1C ZINC000423893606 536453625 /nfs/dbraw/zinc/45/36/25/536453625.db2.gz LJYKCSCEMCYATQ-HOCLYGCPSA-N 2 1 363.462 0.517 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000415170761 536469762 /nfs/dbraw/zinc/46/97/62/536469762.db2.gz XESWVNBCAHILHJ-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000415170761 536469764 /nfs/dbraw/zinc/46/97/64/536469764.db2.gz XESWVNBCAHILHJ-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)[C@@H]2C1 ZINC000425379303 536487478 /nfs/dbraw/zinc/48/74/78/536487478.db2.gz AMVVMBOWVNBKMH-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423442941 536775748 /nfs/dbraw/zinc/77/57/48/536775748.db2.gz KITXIJGAELWOSA-NVXWUHKLSA-N 2 1 368.522 0.389 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423442250 536775898 /nfs/dbraw/zinc/77/58/98/536775898.db2.gz JTFVTFWFTZUYJX-INIZCTEOSA-N 2 1 354.495 0.143 20 0 FCADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526471 536800711 /nfs/dbraw/zinc/80/07/11/536800711.db2.gz CKIJZCXVGZZOHS-HUUCEWRRSA-N 2 1 363.462 0.056 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526471 536800718 /nfs/dbraw/zinc/80/07/18/536800718.db2.gz CKIJZCXVGZZOHS-HUUCEWRRSA-N 2 1 363.462 0.056 20 0 FCADMP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164654 546549505 /nfs/dbraw/zinc/54/95/05/546549505.db2.gz GYTRSGLOEZRHNQ-CVEARBPZSA-N 2 1 367.519 0.790 20 0 FCADMP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164659 546550085 /nfs/dbraw/zinc/55/00/85/546550085.db2.gz GYTRSGLOEZRHNQ-HZPDHXFCSA-N 2 1 367.519 0.790 20 0 FCADMP CCC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000501791847 546566044 /nfs/dbraw/zinc/56/60/44/546566044.db2.gz GWLCRIWKIHJRMJ-OKYOBFRVSA-N 2 1 357.539 0.889 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000080152878 546568223 /nfs/dbraw/zinc/56/82/23/546568223.db2.gz WWNSDLQATXVSSP-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1cccs1 ZINC000174719339 546583917 /nfs/dbraw/zinc/58/39/17/546583917.db2.gz WBBUMNIZCUPLHA-UHFFFAOYSA-N 2 1 367.519 0.643 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+](C)C1 ZINC000594283152 546779049 /nfs/dbraw/zinc/77/90/49/546779049.db2.gz CSKPOZJXSUKJJE-BZUAXINKSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+](C)C1 ZINC000594283152 546779052 /nfs/dbraw/zinc/77/90/52/546779052.db2.gz CSKPOZJXSUKJJE-BZUAXINKSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+](C)C1 ZINC000594283152 546779054 /nfs/dbraw/zinc/77/90/54/546779054.db2.gz CSKPOZJXSUKJJE-BZUAXINKSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000151185025 546904565 /nfs/dbraw/zinc/90/45/65/546904565.db2.gz GOCDVEATSILKCM-YQQAZPJKSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000151185025 546904569 /nfs/dbraw/zinc/90/45/69/546904569.db2.gz GOCDVEATSILKCM-YQQAZPJKSA-N 2 1 354.495 0.506 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000550271092 547081768 /nfs/dbraw/zinc/08/17/68/547081768.db2.gz JLIPYQZRFKZSOG-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550455947 547086661 /nfs/dbraw/zinc/08/66/61/547086661.db2.gz FBGKGCWCTVOTFR-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1CCOCC1 ZINC000550822741 547108529 /nfs/dbraw/zinc/10/85/29/547108529.db2.gz YCRRABNYBQSCML-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902368 547113681 /nfs/dbraw/zinc/11/36/81/547113681.db2.gz SPWIRRSVBRJWCN-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550902368 547113685 /nfs/dbraw/zinc/11/36/85/547113685.db2.gz SPWIRRSVBRJWCN-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550902368 547113691 /nfs/dbraw/zinc/11/36/91/547113691.db2.gz SPWIRRSVBRJWCN-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550904530 547114790 /nfs/dbraw/zinc/11/47/90/547114790.db2.gz YRBIZWZSMWEPJU-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550904530 547114795 /nfs/dbraw/zinc/11/47/95/547114795.db2.gz YRBIZWZSMWEPJU-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550904530 547114797 /nfs/dbraw/zinc/11/47/97/547114797.db2.gz YRBIZWZSMWEPJU-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000550957128 547117176 /nfs/dbraw/zinc/11/71/76/547117176.db2.gz IZRDACOAMRQFGS-HNNXBMFYSA-N 2 1 356.511 0.260 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551214908 547133928 /nfs/dbraw/zinc/13/39/28/547133928.db2.gz IPIUEMVUZSDVSS-YOEHRIQHSA-N 2 1 356.536 0.531 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000551210838 547134311 /nfs/dbraw/zinc/13/43/11/547134311.db2.gz ABDPSOSVZBVLAH-WMLDXEAASA-N 2 1 356.536 0.340 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280334 547138548 /nfs/dbraw/zinc/13/85/48/547138548.db2.gz NUVMHUMKSJCSFL-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551282058 547139476 /nfs/dbraw/zinc/13/94/76/547139476.db2.gz QGRSEFTWWCMDQD-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551282058 547139478 /nfs/dbraw/zinc/13/94/78/547139478.db2.gz QGRSEFTWWCMDQD-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000551282058 547139484 /nfs/dbraw/zinc/13/94/84/547139484.db2.gz QGRSEFTWWCMDQD-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278623 547139567 /nfs/dbraw/zinc/13/95/67/547139567.db2.gz SALOZDNGHCROLA-CVEARBPZSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278623 547139571 /nfs/dbraw/zinc/13/95/71/547139571.db2.gz SALOZDNGHCROLA-CVEARBPZSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278623 547139574 /nfs/dbraw/zinc/13/95/74/547139574.db2.gz SALOZDNGHCROLA-CVEARBPZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000551490139 547148038 /nfs/dbraw/zinc/14/80/38/547148038.db2.gz LLFSLLYHRQSTBD-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000552287308 547199484 /nfs/dbraw/zinc/19/94/84/547199484.db2.gz FGZJPHWQSATKIZ-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704539 547225720 /nfs/dbraw/zinc/22/57/20/547225720.db2.gz LTMHLBUGUXKZKT-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000552704539 547225725 /nfs/dbraw/zinc/22/57/25/547225725.db2.gz LTMHLBUGUXKZKT-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000552704539 547225728 /nfs/dbraw/zinc/22/57/28/547225728.db2.gz LTMHLBUGUXKZKT-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000552939855 547241976 /nfs/dbraw/zinc/24/19/76/547241976.db2.gz ZGSLBAFDZVVHCD-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000552939855 547241978 /nfs/dbraw/zinc/24/19/78/547241978.db2.gz ZGSLBAFDZVVHCD-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000552939855 547241983 /nfs/dbraw/zinc/24/19/83/547241983.db2.gz ZGSLBAFDZVVHCD-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000552939855 547241987 /nfs/dbraw/zinc/24/19/87/547241987.db2.gz ZGSLBAFDZVVHCD-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000553023438 547246539 /nfs/dbraw/zinc/24/65/39/547246539.db2.gz REMGQYCAJTXKKK-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C[C@H]1C ZINC000553372643 547274076 /nfs/dbraw/zinc/27/40/76/547274076.db2.gz ZSLMOJFKGPHFSS-OAGGEKHMSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@H]1C ZINC000553372643 547274083 /nfs/dbraw/zinc/27/40/83/547274083.db2.gz ZSLMOJFKGPHFSS-OAGGEKHMSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@H]1C ZINC000553372643 547274085 /nfs/dbraw/zinc/27/40/85/547274085.db2.gz ZSLMOJFKGPHFSS-OAGGEKHMSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@](C)(O)C[NH+](C)C)CC2)CC1 ZINC000553532273 547285655 /nfs/dbraw/zinc/28/56/55/547285655.db2.gz NIMUZBJCDGICNU-IBGZPJMESA-N 3 1 354.539 0.612 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+](CCCO)CCO3)CC[N@H+]1C ZINC000949373209 674403016 /nfs/dbraw/zinc/40/30/16/674403016.db2.gz OAQOFEJSSXARKX-DLBZAZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@H+](CCCO)CCO3)CC[NH+]1C ZINC000949373209 674403017 /nfs/dbraw/zinc/40/30/17/674403017.db2.gz OAQOFEJSSXARKX-DLBZAZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)CC[NH+]1C ZINC000949373209 674403018 /nfs/dbraw/zinc/40/30/18/674403018.db2.gz OAQOFEJSSXARKX-DLBZAZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000949858310 674414269 /nfs/dbraw/zinc/41/42/69/674414269.db2.gz BEUHUJMFUADFAA-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C ZINC000950241553 674422783 /nfs/dbraw/zinc/42/27/83/674422783.db2.gz IYOIHFCQRNNZQM-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C ZINC000950241552 674422862 /nfs/dbraw/zinc/42/28/62/674422862.db2.gz IYOIHFCQRNNZQM-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](C[C@H](C)O)C1 ZINC000950347232 674425072 /nfs/dbraw/zinc/42/50/72/674425072.db2.gz SUZSTYDVCDVUEA-QGTPRVQTSA-N 2 1 353.507 0.647 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000951153967 674450464 /nfs/dbraw/zinc/45/04/64/674450464.db2.gz QYFWBEVAYKHIEL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000951153967 674450466 /nfs/dbraw/zinc/45/04/66/674450466.db2.gz QYFWBEVAYKHIEL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000951153967 674450467 /nfs/dbraw/zinc/45/04/67/674450467.db2.gz QYFWBEVAYKHIEL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000954408640 674496480 /nfs/dbraw/zinc/49/64/80/674496480.db2.gz HBJLCAXLXSFYAR-QSJFSLAZSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000954408640 674496483 /nfs/dbraw/zinc/49/64/83/674496483.db2.gz HBJLCAXLXSFYAR-QSJFSLAZSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000954408640 674496485 /nfs/dbraw/zinc/49/64/85/674496485.db2.gz HBJLCAXLXSFYAR-QSJFSLAZSA-N 2 1 350.507 0.726 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954502830 674498425 /nfs/dbraw/zinc/49/84/25/674498425.db2.gz SHUBJONEHUTCJH-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954502830 674498427 /nfs/dbraw/zinc/49/84/27/674498427.db2.gz SHUBJONEHUTCJH-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954502830 674498429 /nfs/dbraw/zinc/49/84/29/674498429.db2.gz SHUBJONEHUTCJH-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000956387157 674522689 /nfs/dbraw/zinc/52/26/89/674522689.db2.gz IQJBBVXVLSFEIZ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825453508 607719168 /nfs/dbraw/zinc/71/91/68/607719168.db2.gz VJEQCVFFNUCMJB-ZDUSSCGKSA-N 2 1 360.466 0.683 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000957015504 674533734 /nfs/dbraw/zinc/53/37/34/674533734.db2.gz XLXFDENEWTZKNK-RKVPGOIHSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000957166209 674538882 /nfs/dbraw/zinc/53/88/82/674538882.db2.gz JSAAWTCFPSVOMC-OGWOLHLISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729588569 665732369 /nfs/dbraw/zinc/73/23/69/665732369.db2.gz SMDNIJNVAFKDKJ-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729588569 665732371 /nfs/dbraw/zinc/73/23/71/665732371.db2.gz SMDNIJNVAFKDKJ-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729588569 665732374 /nfs/dbraw/zinc/73/23/74/665732374.db2.gz SMDNIJNVAFKDKJ-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C)C1 ZINC000990006382 665838154 /nfs/dbraw/zinc/83/81/54/665838154.db2.gz SMROBVVEGYMUHP-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000990006382 665838156 /nfs/dbraw/zinc/83/81/56/665838156.db2.gz SMROBVVEGYMUHP-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000990006382 665838158 /nfs/dbraw/zinc/83/81/58/665838158.db2.gz SMROBVVEGYMUHP-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000990006763 665838177 /nfs/dbraw/zinc/83/81/77/665838177.db2.gz ZHMUTCCPURQEMZ-UXLLHSPISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21)[NH+](C)C ZINC001022020439 663388296 /nfs/dbraw/zinc/38/82/96/663388296.db2.gz LKQWYSCXJAHNFH-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971560683 663397658 /nfs/dbraw/zinc/39/76/58/663397658.db2.gz IWXBFALVDCEDHQ-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971560683 663397659 /nfs/dbraw/zinc/39/76/59/663397659.db2.gz IWXBFALVDCEDHQ-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971560683 663397661 /nfs/dbraw/zinc/39/76/61/663397661.db2.gz IWXBFALVDCEDHQ-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891484331 663409181 /nfs/dbraw/zinc/40/91/81/663409181.db2.gz UPXBQRWFUSNTRC-JKSUJKDBSA-N 2 1 353.511 0.842 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000891493710 663409538 /nfs/dbraw/zinc/40/95/38/663409538.db2.gz ZBQYNZGDWGNCIY-QGZVFWFLSA-N 2 1 350.463 0.929 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891538353 663412995 /nfs/dbraw/zinc/41/29/95/663412995.db2.gz VIZPBQQTYYUYKP-LBPRGKRZSA-N 2 1 353.492 0.780 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891952501 663454100 /nfs/dbraw/zinc/45/41/00/663454100.db2.gz IDNMNODXBLDPEW-CVEARBPZSA-N 2 1 352.479 0.404 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892036923 663469495 /nfs/dbraw/zinc/46/94/95/663469495.db2.gz QSWJUPUFZIIEOD-DLBZAZTESA-N 2 1 355.527 0.456 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892089007 663475019 /nfs/dbraw/zinc/47/50/19/663475019.db2.gz NYDDZCXDKPVFRR-IKGGRYGDSA-N 2 1 353.511 0.352 20 0 FCADMP CN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+](C)CC1 ZINC000888991171 663602920 /nfs/dbraw/zinc/60/29/20/663602920.db2.gz RIJWYOPJEMZQEC-UHFFFAOYSA-N 2 1 352.523 0.727 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001023376163 663620085 /nfs/dbraw/zinc/62/00/85/663620085.db2.gz XJVCANKYWPPEKM-NXHRZFHOSA-N 2 1 353.507 0.554 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@H+]1C ZINC001038274044 663623544 /nfs/dbraw/zinc/62/35/44/663623544.db2.gz UXQOAZXGEITPEU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001038274044 663623546 /nfs/dbraw/zinc/62/35/46/663623546.db2.gz UXQOAZXGEITPEU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001038274044 663623547 /nfs/dbraw/zinc/62/35/47/663623547.db2.gz UXQOAZXGEITPEU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCOCC3)C2)O1 ZINC001023452070 663628702 /nfs/dbraw/zinc/62/87/02/663628702.db2.gz WIQSWKXOUNYBBH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCOCC3)C2)O1 ZINC001023452070 663628703 /nfs/dbraw/zinc/62/87/03/663628703.db2.gz WIQSWKXOUNYBBH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CCOCC3)C2)O1 ZINC001023452070 663628707 /nfs/dbraw/zinc/62/87/07/663628707.db2.gz WIQSWKXOUNYBBH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CCOCC3)C2)O1 ZINC001023452070 663628708 /nfs/dbraw/zinc/62/87/08/663628708.db2.gz WIQSWKXOUNYBBH-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001024035805 663866706 /nfs/dbraw/zinc/86/67/06/663866706.db2.gz BLHYYLJQWQNFOV-BPLDGKMQSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001024035805 663866708 /nfs/dbraw/zinc/86/67/08/663866708.db2.gz BLHYYLJQWQNFOV-BPLDGKMQSA-N 2 1 367.519 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000959656438 674581666 /nfs/dbraw/zinc/58/16/66/674581666.db2.gz YSEQAJJOXCKXJK-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000959656438 674581667 /nfs/dbraw/zinc/58/16/67/674581667.db2.gz YSEQAJJOXCKXJK-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000959656438 674581669 /nfs/dbraw/zinc/58/16/69/674581669.db2.gz YSEQAJJOXCKXJK-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649376 664058908 /nfs/dbraw/zinc/05/89/08/664058908.db2.gz LDAMPWZVZLYQNL-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649376 664058909 /nfs/dbraw/zinc/05/89/09/664058909.db2.gz LDAMPWZVZLYQNL-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649376 664058911 /nfs/dbraw/zinc/05/89/11/664058911.db2.gz LDAMPWZVZLYQNL-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651525 664059064 /nfs/dbraw/zinc/05/90/64/664059064.db2.gz ZLLQHGCBUOYTJY-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651525 664059065 /nfs/dbraw/zinc/05/90/65/664059065.db2.gz ZLLQHGCBUOYTJY-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651525 664059067 /nfs/dbraw/zinc/05/90/67/664059067.db2.gz ZLLQHGCBUOYTJY-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000892918454 664154384 /nfs/dbraw/zinc/15/43/84/664154384.db2.gz FLIIMSJDYOUMSP-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000892937682 664162020 /nfs/dbraw/zinc/16/20/20/664162020.db2.gz HBRLWGTWIUGXHR-KBXCAEBGSA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000892937682 664162025 /nfs/dbraw/zinc/16/20/25/664162025.db2.gz HBRLWGTWIUGXHR-KBXCAEBGSA-N 2 1 351.495 0.132 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944935 664177157 /nfs/dbraw/zinc/17/71/57/664177157.db2.gz XCUKPMQXQFSIOQ-IKGGRYGDSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892944935 664177158 /nfs/dbraw/zinc/17/71/58/664177158.db2.gz XCUKPMQXQFSIOQ-IKGGRYGDSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892944935 664177160 /nfs/dbraw/zinc/17/71/60/664177160.db2.gz XCUKPMQXQFSIOQ-IKGGRYGDSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001026916700 664277039 /nfs/dbraw/zinc/27/70/39/664277039.db2.gz MOUYINBQNDIFAH-CKEIUWERSA-N 2 1 350.438 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001026916700 664277040 /nfs/dbraw/zinc/27/70/40/664277040.db2.gz MOUYINBQNDIFAH-CKEIUWERSA-N 2 1 350.438 0.878 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC000974734673 664278515 /nfs/dbraw/zinc/27/85/15/664278515.db2.gz JGULNHLAIPQKDL-VQHPVUNQSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749959 664279994 /nfs/dbraw/zinc/27/99/94/664279994.db2.gz GNCYAMVNQBTMMH-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749959 664279996 /nfs/dbraw/zinc/27/99/96/664279996.db2.gz GNCYAMVNQBTMMH-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749959 664279998 /nfs/dbraw/zinc/27/99/98/664279998.db2.gz GNCYAMVNQBTMMH-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749959 664280000 /nfs/dbraw/zinc/28/00/00/664280000.db2.gz GNCYAMVNQBTMMH-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001027418777 664398463 /nfs/dbraw/zinc/39/84/63/664398463.db2.gz JGBOPAIEESXKCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001027418777 664398469 /nfs/dbraw/zinc/39/84/69/664398469.db2.gz JGBOPAIEESXKCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001027418777 664398471 /nfs/dbraw/zinc/39/84/71/664398471.db2.gz JGBOPAIEESXKCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001027418777 664398472 /nfs/dbraw/zinc/39/84/72/664398472.db2.gz JGBOPAIEESXKCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCCC2=O)CC[N@H+]1C ZINC001027893071 664472029 /nfs/dbraw/zinc/47/20/29/664472029.db2.gz LZFUZIFHLQWAEG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001027893071 664472030 /nfs/dbraw/zinc/47/20/30/664472030.db2.gz LZFUZIFHLQWAEG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001027893071 664472031 /nfs/dbraw/zinc/47/20/31/664472031.db2.gz LZFUZIFHLQWAEG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001027893236 664472381 /nfs/dbraw/zinc/47/23/81/664472381.db2.gz PVGZQAFILNQTCM-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001027893236 664472382 /nfs/dbraw/zinc/47/23/82/664472382.db2.gz PVGZQAFILNQTCM-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001027893236 664472383 /nfs/dbraw/zinc/47/23/83/664472383.db2.gz PVGZQAFILNQTCM-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001027893236 664472384 /nfs/dbraw/zinc/47/23/84/664472384.db2.gz PVGZQAFILNQTCM-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001027893236 664472385 /nfs/dbraw/zinc/47/23/85/664472385.db2.gz PVGZQAFILNQTCM-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[N@@H+](CCCO)CC2)CC1 ZINC000981185536 664816291 /nfs/dbraw/zinc/81/62/91/664816291.db2.gz YLALODVDIOLUNL-MSOLQXFVSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981194473 664817183 /nfs/dbraw/zinc/81/71/83/664817183.db2.gz ROQBVQFFJMWAKK-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981651677 664834451 /nfs/dbraw/zinc/83/44/51/664834451.db2.gz XQAGMUZEEXBFFC-USXIJHARSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H](C)C(N)=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982285673 664864562 /nfs/dbraw/zinc/86/45/62/664864562.db2.gz QXVHRXDIZGVUDB-IJCKYZCQSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@@H](C)C(N)=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982285673 664864564 /nfs/dbraw/zinc/86/45/64/664864564.db2.gz QXVHRXDIZGVUDB-IJCKYZCQSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982285673 664864565 /nfs/dbraw/zinc/86/45/65/664864565.db2.gz QXVHRXDIZGVUDB-IJCKYZCQSA-N 2 1 350.507 0.761 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@]2(C)C1 ZINC000893739849 664872948 /nfs/dbraw/zinc/87/29/48/664872948.db2.gz AUELXQJDRATZJX-NWGLXNPWSA-N 2 1 350.507 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001028550194 664901885 /nfs/dbraw/zinc/90/18/85/664901885.db2.gz KHVHADRDJXGYQJ-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001028550194 664901888 /nfs/dbraw/zinc/90/18/88/664901888.db2.gz KHVHADRDJXGYQJ-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001028550194 664901889 /nfs/dbraw/zinc/90/18/89/664901889.db2.gz KHVHADRDJXGYQJ-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001028551727 664902012 /nfs/dbraw/zinc/90/20/12/664902012.db2.gz WBEPLIPZUMNLLT-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001028551727 664902013 /nfs/dbraw/zinc/90/20/13/664902013.db2.gz WBEPLIPZUMNLLT-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001028551727 664902014 /nfs/dbraw/zinc/90/20/14/664902014.db2.gz WBEPLIPZUMNLLT-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCC3CCOCC3)C2)O1 ZINC001028629522 664930983 /nfs/dbraw/zinc/93/09/83/664930983.db2.gz OKNVIVVPYNUBFH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCC3CCOCC3)C2)O1 ZINC001028629522 664930984 /nfs/dbraw/zinc/93/09/84/664930984.db2.gz OKNVIVVPYNUBFH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCC3CCOCC3)C2)O1 ZINC001028629522 664930985 /nfs/dbraw/zinc/93/09/85/664930985.db2.gz OKNVIVVPYNUBFH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCC3CCOCC3)C2)O1 ZINC001028629522 664930986 /nfs/dbraw/zinc/93/09/86/664930986.db2.gz OKNVIVVPYNUBFH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)N1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC000983707918 664985285 /nfs/dbraw/zinc/98/52/85/664985285.db2.gz GHPYWGVGGCASCG-HHARLNAUSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC000983708170 664985307 /nfs/dbraw/zinc/98/53/07/664985307.db2.gz HZQBSMNPMILSNS-WRQOLXDDSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC000983708674 664985316 /nfs/dbraw/zinc/98/53/16/664985316.db2.gz MGAUTDGBUXHZLX-OXGONZEZSA-N 2 1 357.520 0.246 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC000983714329 664985504 /nfs/dbraw/zinc/98/55/04/664985504.db2.gz PXWDVSYZIGFHHR-OVYGPGRDSA-N 2 1 371.547 0.636 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984011414 665012983 /nfs/dbraw/zinc/01/29/83/665012983.db2.gz DDYLIVFZPGCMLU-FMKGYKFTSA-N 2 1 353.492 0.550 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984011414 665012987 /nfs/dbraw/zinc/01/29/87/665012987.db2.gz DDYLIVFZPGCMLU-FMKGYKFTSA-N 2 1 353.492 0.550 20 0 FCADMP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895298412 665036013 /nfs/dbraw/zinc/03/60/13/665036013.db2.gz IQVIIEDAGUXROU-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895298412 665036016 /nfs/dbraw/zinc/03/60/16/665036016.db2.gz IQVIIEDAGUXROU-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC000960532028 674679120 /nfs/dbraw/zinc/67/91/20/674679120.db2.gz YSVNEUXIHHADJL-UFRBAHOGSA-N 2 1 364.515 0.760 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC000960532028 674679123 /nfs/dbraw/zinc/67/91/23/674679123.db2.gz YSVNEUXIHHADJL-UFRBAHOGSA-N 2 1 364.515 0.760 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC000960532028 674679124 /nfs/dbraw/zinc/67/91/24/674679124.db2.gz YSVNEUXIHHADJL-UFRBAHOGSA-N 2 1 364.515 0.760 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC000960532028 674679126 /nfs/dbraw/zinc/67/91/26/674679126.db2.gz YSVNEUXIHHADJL-UFRBAHOGSA-N 2 1 364.515 0.760 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000896300255 665079835 /nfs/dbraw/zinc/07/98/35/665079835.db2.gz FVQRPCXOTQMQGL-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000896300255 665079838 /nfs/dbraw/zinc/07/98/38/665079838.db2.gz FVQRPCXOTQMQGL-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000896300255 665079840 /nfs/dbraw/zinc/07/98/40/665079840.db2.gz FVQRPCXOTQMQGL-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897293335 665165481 /nfs/dbraw/zinc/16/54/81/665165481.db2.gz JJALPJVLURXPOE-ILXRZTDVSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897293335 665165482 /nfs/dbraw/zinc/16/54/82/665165482.db2.gz JJALPJVLURXPOE-ILXRZTDVSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897293335 665165483 /nfs/dbraw/zinc/16/54/83/665165483.db2.gz JJALPJVLURXPOE-ILXRZTDVSA-N 2 1 354.520 0.235 20 0 FCADMP CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985441496 665167385 /nfs/dbraw/zinc/16/73/85/665167385.db2.gz JSTNJGKDMRGGIT-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441496 665167386 /nfs/dbraw/zinc/16/73/86/665167386.db2.gz JSTNJGKDMRGGIT-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441496 665167387 /nfs/dbraw/zinc/16/73/87/665167387.db2.gz JSTNJGKDMRGGIT-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC000985441385 665167680 /nfs/dbraw/zinc/16/76/80/665167680.db2.gz ZAEFFCZJYMRHOG-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC000985441385 665167681 /nfs/dbraw/zinc/16/76/81/665167681.db2.gz ZAEFFCZJYMRHOG-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC000985441385 665167682 /nfs/dbraw/zinc/16/76/82/665167682.db2.gz ZAEFFCZJYMRHOG-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000897433501 665258822 /nfs/dbraw/zinc/25/88/22/665258822.db2.gz XUWWWGFCWWBTGL-INIZCTEOSA-N 2 1 351.495 0.278 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988323900 665285199 /nfs/dbraw/zinc/28/51/99/665285199.db2.gz QGWQWWGVJHVWFR-SRABZTEZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000988323900 665285200 /nfs/dbraw/zinc/28/52/00/665285200.db2.gz QGWQWWGVJHVWFR-SRABZTEZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000988323900 665285201 /nfs/dbraw/zinc/28/52/01/665285201.db2.gz QGWQWWGVJHVWFR-SRABZTEZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000910891890 666289125 /nfs/dbraw/zinc/28/91/25/666289125.db2.gz HLJQXEFVPIBJBQ-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000910891890 666289129 /nfs/dbraw/zinc/28/91/29/666289129.db2.gz HLJQXEFVPIBJBQ-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911028436 666305478 /nfs/dbraw/zinc/30/54/78/666305478.db2.gz IAFQLQAPBZAQHA-HRCADAONSA-N 2 1 350.507 0.681 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000911258941 666330698 /nfs/dbraw/zinc/33/06/98/666330698.db2.gz USFVNUSVIXJYAS-OAHLLOKOSA-N 2 1 350.438 0.571 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000938402505 666467014 /nfs/dbraw/zinc/46/70/14/666467014.db2.gz VJNFBUGVHBPYDV-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC000941217530 666593674 /nfs/dbraw/zinc/59/36/74/666593674.db2.gz HNNYFHXRIRBHOW-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000941217530 666593675 /nfs/dbraw/zinc/59/36/75/666593675.db2.gz HNNYFHXRIRBHOW-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC000941217530 666593677 /nfs/dbraw/zinc/59/36/77/666593677.db2.gz HNNYFHXRIRBHOW-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000941217529 666593686 /nfs/dbraw/zinc/59/36/86/666593686.db2.gz HNNYFHXRIRBHOW-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941217529 666593687 /nfs/dbraw/zinc/59/36/87/666593687.db2.gz HNNYFHXRIRBHOW-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941217529 666593688 /nfs/dbraw/zinc/59/36/88/666593688.db2.gz HNNYFHXRIRBHOW-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000943285830 666768611 /nfs/dbraw/zinc/76/86/11/666768611.db2.gz PISJJPTUSOUILE-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993071232 666778448 /nfs/dbraw/zinc/77/84/48/666778448.db2.gz HAOROMGEFCCVTO-WFXMFSGNSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000996604555 666945470 /nfs/dbraw/zinc/94/54/70/666945470.db2.gz UOCOVSNUEWVTAH-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734242771 666958219 /nfs/dbraw/zinc/95/82/19/666958219.db2.gz LKAFTWMUJAOXLB-SFHVURJKSA-N 2 1 352.523 0.774 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734277199 666959097 /nfs/dbraw/zinc/95/90/97/666959097.db2.gz PEVYSLDSBZWLAE-INIZCTEOSA-N 2 1 356.536 0.978 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734282968 666960954 /nfs/dbraw/zinc/96/09/54/666960954.db2.gz HBDFXZOBHADHDD-KRWDZBQOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994033706 666964659 /nfs/dbraw/zinc/96/46/59/666964659.db2.gz RYNLATOGVGPPRN-HYVNUMGLSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994218682 666979282 /nfs/dbraw/zinc/97/92/82/666979282.db2.gz MGZZZDDTHWNVOK-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCOCC1 ZINC000918666341 667130695 /nfs/dbraw/zinc/13/06/95/667130695.db2.gz PLRDONNJDUJAFP-MRXNPFEDSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)O1 ZINC001032473276 667150568 /nfs/dbraw/zinc/15/05/68/667150568.db2.gz IWMWPRUPJLGFBK-LAVFITLUSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)O1 ZINC001032473276 667150570 /nfs/dbraw/zinc/15/05/70/667150570.db2.gz IWMWPRUPJLGFBK-LAVFITLUSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)O1 ZINC001032473276 667150575 /nfs/dbraw/zinc/15/05/75/667150575.db2.gz IWMWPRUPJLGFBK-LAVFITLUSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)O1 ZINC001032473276 667150577 /nfs/dbraw/zinc/15/05/77/667150577.db2.gz IWMWPRUPJLGFBK-LAVFITLUSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)O1 ZINC000997857545 667177961 /nfs/dbraw/zinc/17/79/61/667177961.db2.gz AMBRHDSJRCDOGK-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)O1 ZINC000997857545 667177962 /nfs/dbraw/zinc/17/79/62/667177962.db2.gz AMBRHDSJRCDOGK-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000998360387 667208887 /nfs/dbraw/zinc/20/88/87/667208887.db2.gz VEHHXINDAWKFIR-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998983184 667224901 /nfs/dbraw/zinc/22/49/01/667224901.db2.gz KGKVTGWAWNJWEV-UWLZSVRSSA-N 2 1 350.467 0.096 20 0 FCADMP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998983184 667224905 /nfs/dbraw/zinc/22/49/05/667224905.db2.gz KGKVTGWAWNJWEV-UWLZSVRSSA-N 2 1 350.467 0.096 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000999188905 667230261 /nfs/dbraw/zinc/23/02/61/667230261.db2.gz FNXZKMVQTFTDMA-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000999188905 667230264 /nfs/dbraw/zinc/23/02/64/667230264.db2.gz FNXZKMVQTFTDMA-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000999494049 667242124 /nfs/dbraw/zinc/24/21/24/667242124.db2.gz HPZFHTWFSCJSLH-UMVBOHGHSA-N 2 1 368.503 0.951 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000999494049 667242126 /nfs/dbraw/zinc/24/21/26/667242126.db2.gz HPZFHTWFSCJSLH-UMVBOHGHSA-N 2 1 368.503 0.951 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@@H+]1C ZINC001031681339 667263765 /nfs/dbraw/zinc/26/37/65/667263765.db2.gz NJUJSCJJAFDCST-BMFZPTHFSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@H+]1C ZINC001031681339 667263769 /nfs/dbraw/zinc/26/37/69/667263769.db2.gz NJUJSCJJAFDCST-BMFZPTHFSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001031684116 667268836 /nfs/dbraw/zinc/26/88/36/667268836.db2.gz HDCJJPUSUDDUEI-DLBZAZTESA-N 2 1 371.547 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001031684116 667268837 /nfs/dbraw/zinc/26/88/37/667268837.db2.gz HDCJJPUSUDDUEI-DLBZAZTESA-N 2 1 371.547 0.590 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348718 667642299 /nfs/dbraw/zinc/64/22/99/667642299.db2.gz WVHFCKXFIJIQGV-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922348718 667642304 /nfs/dbraw/zinc/64/23/04/667642304.db2.gz WVHFCKXFIJIQGV-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922348718 667642307 /nfs/dbraw/zinc/64/23/07/667642307.db2.gz WVHFCKXFIJIQGV-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922349312 667643059 /nfs/dbraw/zinc/64/30/59/667643059.db2.gz SDBIVXLTQZHVCL-KSZLIROESA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922349312 667643062 /nfs/dbraw/zinc/64/30/62/667643062.db2.gz SDBIVXLTQZHVCL-KSZLIROESA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922349312 667643065 /nfs/dbraw/zinc/64/30/65/667643065.db2.gz SDBIVXLTQZHVCL-KSZLIROESA-N 2 1 352.523 0.772 20 0 FCADMP CN1CC[NH+](CC2(C)CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC000756378863 667671848 /nfs/dbraw/zinc/67/18/48/667671848.db2.gz IVFSYZSCCDHOTR-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004449838 667687249 /nfs/dbraw/zinc/68/72/49/667687249.db2.gz JYTGMMBEYQLSEE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004449838 667687252 /nfs/dbraw/zinc/68/72/52/667687252.db2.gz JYTGMMBEYQLSEE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004449838 667687254 /nfs/dbraw/zinc/68/72/54/667687254.db2.gz JYTGMMBEYQLSEE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033289108 667727494 /nfs/dbraw/zinc/72/74/94/667727494.db2.gz GTGIIZXOWNWRQB-BBWFWOEESA-N 2 1 357.470 0.759 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001034214802 667749115 /nfs/dbraw/zinc/74/91/15/667749115.db2.gz QVABESUFNZBLRT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001034214802 667749117 /nfs/dbraw/zinc/74/91/17/667749117.db2.gz QVABESUFNZBLRT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001034214802 667749121 /nfs/dbraw/zinc/74/91/21/667749121.db2.gz QVABESUFNZBLRT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001034214802 667749126 /nfs/dbraw/zinc/74/91/26/667749126.db2.gz QVABESUFNZBLRT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001034649569 667762433 /nfs/dbraw/zinc/76/24/33/667762433.db2.gz LDRYONNMYNVILB-QUSNUVHPSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)n3)CC2)O1 ZINC001034673742 667763375 /nfs/dbraw/zinc/76/33/75/667763375.db2.gz AUZXDXJDRFASJY-IXYNUQLISA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)n3)CC2)O1 ZINC001034673742 667763377 /nfs/dbraw/zinc/76/33/77/667763377.db2.gz AUZXDXJDRFASJY-IXYNUQLISA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncnn3C)CC2)O1 ZINC001034674930 667763752 /nfs/dbraw/zinc/76/37/52/667763752.db2.gz LUHWSVCDMKOIGP-KBUPBQIOSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncnn3C)CC2)O1 ZINC001034674930 667763756 /nfs/dbraw/zinc/76/37/56/667763756.db2.gz LUHWSVCDMKOIGP-KBUPBQIOSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001034939612 667772475 /nfs/dbraw/zinc/77/24/75/667772475.db2.gz HJDKWHYRFCSYBG-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370129 667776108 /nfs/dbraw/zinc/77/61/08/667776108.db2.gz IEVXSXFOFJAVAY-KSZLIROESA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370129 667776111 /nfs/dbraw/zinc/77/61/11/667776111.db2.gz IEVXSXFOFJAVAY-KSZLIROESA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923322603 667825286 /nfs/dbraw/zinc/82/52/86/667825286.db2.gz YBTCAXQTWVKVIO-IAGOWNOFSA-N 2 1 350.507 0.384 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923323680 667825377 /nfs/dbraw/zinc/82/53/77/667825377.db2.gz JXPYONANDQJOLT-WBVHZDCISA-N 2 1 350.507 0.430 20 0 FCADMP C[C@@H](NC(=O)CNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923481828 667839949 /nfs/dbraw/zinc/83/99/49/667839949.db2.gz MKOSMOAKYOCZSP-KGLIPLIRSA-N 2 1 350.438 0.790 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000946909226 667841911 /nfs/dbraw/zinc/84/19/11/667841911.db2.gz LFDJTMPDQJDNBI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000946909226 667841915 /nfs/dbraw/zinc/84/19/15/667841915.db2.gz LFDJTMPDQJDNBI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000946909226 667841920 /nfs/dbraw/zinc/84/19/20/667841920.db2.gz LFDJTMPDQJDNBI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000961991248 674853289 /nfs/dbraw/zinc/85/32/89/674853289.db2.gz QLVHHPJIHYDIBK-BLYZHGLHSA-N 2 1 369.897 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000961991248 674853291 /nfs/dbraw/zinc/85/32/91/674853291.db2.gz QLVHHPJIHYDIBK-BLYZHGLHSA-N 2 1 369.897 0.777 20 0 FCADMP COc1cccc([C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000923578583 667850291 /nfs/dbraw/zinc/85/02/91/667850291.db2.gz FEAGWEBXEVLHJV-KRWDZBQOSA-N 2 1 368.503 0.572 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760477256 667850796 /nfs/dbraw/zinc/85/07/96/667850796.db2.gz WWQVHPCGXPAIRY-UHFFFAOYSA-N 2 1 369.579 0.783 20 0 FCADMP COc1ccc([C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000923579826 667851176 /nfs/dbraw/zinc/85/11/76/667851176.db2.gz YPQWVVMYVDXNMC-QGZVFWFLSA-N 2 1 368.503 0.572 20 0 FCADMP O[C@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767691429 668058677 /nfs/dbraw/zinc/05/86/77/668058677.db2.gz UNCLXCMROBVIFL-IRXDYDNUSA-N 2 1 370.563 0.551 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CN(C(=O)OC)C1 ZINC000770425671 668192254 /nfs/dbraw/zinc/19/22/54/668192254.db2.gz JRVCGICOXHQECK-HNNXBMFYSA-N 2 1 355.483 0.495 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000819214690 668988804 /nfs/dbraw/zinc/98/88/04/668988804.db2.gz FFHGLYGZHRTPDR-ROUUACIJSA-N 2 1 350.459 0.991 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000819288138 668994253 /nfs/dbraw/zinc/99/42/53/668994253.db2.gz VMCUGNDNXPOWKX-KRWDZBQOSA-N 2 1 369.531 0.739 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000796938215 669141208 /nfs/dbraw/zinc/14/12/08/669141208.db2.gz LLQIIOXKRXFIOZ-OIPACUDHSA-N 2 1 357.495 0.961 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000796938215 669141210 /nfs/dbraw/zinc/14/12/10/669141210.db2.gz LLQIIOXKRXFIOZ-OIPACUDHSA-N 2 1 357.495 0.961 20 0 FCADMP CC[NH+](CC)CC1CC[NH+](CN2CC3(CCOCC3)[C@@H](O)C2=O)CC1 ZINC000840000598 669345753 /nfs/dbraw/zinc/34/57/53/669345753.db2.gz RCMRTTZOIKCDEP-KRWDZBQOSA-N 2 1 353.507 0.998 20 0 FCADMP C[NH+](C)CCCC1CC[NH+](CN2CC3(CCOCC3)[C@@H](O)C2=O)CC1 ZINC000840039591 669374648 /nfs/dbraw/zinc/37/46/48/669374648.db2.gz WJSFZETZKUJURY-KRWDZBQOSA-N 2 1 353.507 0.998 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834687056 669969850 /nfs/dbraw/zinc/96/98/50/669969850.db2.gz RJOMNOZFXKRFSN-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834687056 669969853 /nfs/dbraw/zinc/96/98/53/669969853.db2.gz RJOMNOZFXKRFSN-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834687056 669969855 /nfs/dbraw/zinc/96/98/55/669969855.db2.gz RJOMNOZFXKRFSN-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834687056 669969858 /nfs/dbraw/zinc/96/98/58/669969858.db2.gz RJOMNOZFXKRFSN-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000840852754 670522946 /nfs/dbraw/zinc/52/29/46/670522946.db2.gz BKEQXRAPYPDNEV-UHFFFAOYSA-N 2 1 360.568 0.728 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364214 670807879 /nfs/dbraw/zinc/80/78/79/670807879.db2.gz RVZWLOHBHGREDG-ZDUSSCGKSA-N 2 1 366.487 0.737 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000843367211 670808495 /nfs/dbraw/zinc/80/84/95/670808495.db2.gz BCZJDFGHVHTFEO-BPUTZDHNSA-N 2 1 352.479 0.783 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000843367211 670808503 /nfs/dbraw/zinc/80/85/03/670808503.db2.gz BCZJDFGHVHTFEO-BPUTZDHNSA-N 2 1 352.479 0.783 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)nc1 ZINC000852743562 671522764 /nfs/dbraw/zinc/52/27/64/671522764.db2.gz FPDPYHXVYWUECJ-CYBMUJFWSA-N 2 1 365.865 0.817 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)nc1 ZINC000852743562 671522767 /nfs/dbraw/zinc/52/27/67/671522767.db2.gz FPDPYHXVYWUECJ-CYBMUJFWSA-N 2 1 365.865 0.817 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853683338 671554075 /nfs/dbraw/zinc/55/40/75/671554075.db2.gz QUVDIGLQZMBNBA-GVDBMIGSSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000853683338 671554077 /nfs/dbraw/zinc/55/40/77/671554077.db2.gz QUVDIGLQZMBNBA-GVDBMIGSSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000853683338 671554079 /nfs/dbraw/zinc/55/40/79/671554079.db2.gz QUVDIGLQZMBNBA-GVDBMIGSSA-N 2 1 352.479 0.090 20 0 FCADMP C[NH+](C)CC1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000854724264 671598419 /nfs/dbraw/zinc/59/84/19/671598419.db2.gz NRUVTORXVFWKKG-UHFFFAOYSA-N 2 1 354.495 0.949 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000857535347 671730635 /nfs/dbraw/zinc/73/06/35/671730635.db2.gz LIQUBWUECROEFO-UHFFFAOYSA-N 2 1 351.491 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049481716 675950300 /nfs/dbraw/zinc/95/03/00/675950300.db2.gz JFHQFWXBCWQFNS-HZMVEIRTSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049481716 675950302 /nfs/dbraw/zinc/95/03/02/675950302.db2.gz JFHQFWXBCWQFNS-HZMVEIRTSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481716 675950303 /nfs/dbraw/zinc/95/03/03/675950303.db2.gz JFHQFWXBCWQFNS-HZMVEIRTSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481716 675950306 /nfs/dbraw/zinc/95/03/06/675950306.db2.gz JFHQFWXBCWQFNS-HZMVEIRTSA-N 2 1 371.547 0.827 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049483475 675950509 /nfs/dbraw/zinc/95/05/09/675950509.db2.gz XPYJAHMUBRJMMC-WCVJEAGWSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049483475 675950510 /nfs/dbraw/zinc/95/05/10/675950510.db2.gz XPYJAHMUBRJMMC-WCVJEAGWSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483475 675950512 /nfs/dbraw/zinc/95/05/12/675950512.db2.gz XPYJAHMUBRJMMC-WCVJEAGWSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483475 675950513 /nfs/dbraw/zinc/95/05/13/675950513.db2.gz XPYJAHMUBRJMMC-WCVJEAGWSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903731082 675964738 /nfs/dbraw/zinc/96/47/38/675964738.db2.gz VXUOQIWUHDGARZ-LVQVYYBASA-N 2 1 352.479 0.036 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903731083 675964815 /nfs/dbraw/zinc/96/48/15/675964815.db2.gz VXUOQIWUHDGARZ-XUWVNRHRSA-N 2 1 352.479 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903731083 675964816 /nfs/dbraw/zinc/96/48/16/675964816.db2.gz VXUOQIWUHDGARZ-XUWVNRHRSA-N 2 1 352.479 0.036 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758439 675968964 /nfs/dbraw/zinc/96/89/64/675968964.db2.gz JYTYXKUZYNPKNG-CVEARBPZSA-N 2 1 359.536 0.749 20 0 FCADMP COCc1noc(CN2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903755719 675968218 /nfs/dbraw/zinc/96/82/18/675968218.db2.gz KTAYDIGOAARIHK-WMLDXEAASA-N 2 1 351.451 0.102 20 0 FCADMP O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903914851 675981980 /nfs/dbraw/zinc/98/19/80/675981980.db2.gz LGUKSXVWAOYMFH-VXGBXAGGSA-N 2 1 360.384 0.703 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CC4CCOCC4)C3)C2)CC[N@H+]1C ZINC001053806506 675998440 /nfs/dbraw/zinc/99/84/40/675998440.db2.gz JZWIYQNIUJZBQP-DJIMGWMZSA-N 2 1 351.491 0.713 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232713 672390154 /nfs/dbraw/zinc/39/01/54/672390154.db2.gz RZRYPUHQLHDAGG-HOCLYGCPSA-N 2 1 372.535 0.231 20 0 FCADMP CCn1[nH]c(C)nc1=NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000888529045 672425620 /nfs/dbraw/zinc/42/56/20/672425620.db2.gz NWFNVHVPLGRMSD-HNNXBMFYSA-N 2 1 351.499 0.908 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)CSC)CC2)CC[N@H+]1C ZINC001055511037 676021822 /nfs/dbraw/zinc/02/18/22/676021822.db2.gz TYYTXBPOGJSDDD-JKSUJKDBSA-N 2 1 370.563 0.777 20 0 FCADMP C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583655 676025221 /nfs/dbraw/zinc/02/52/21/676025221.db2.gz WRKBCKVRRTXVDA-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP CSCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583455 676025235 /nfs/dbraw/zinc/02/52/35/676025235.db2.gz OLSJUGXBDFWBCF-GDBMZVCRSA-N 2 1 370.563 0.777 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297744 672611331 /nfs/dbraw/zinc/61/13/31/672611331.db2.gz UXCYCESWJGWCCL-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(C)n1 ZINC000879898911 673149922 /nfs/dbraw/zinc/14/99/22/673149922.db2.gz MLNWZYOGVFNMQB-CQSZACIVSA-N 2 1 350.467 0.660 20 0 FCADMP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051624283 676107114 /nfs/dbraw/zinc/10/71/14/676107114.db2.gz PDOPEHFJNLHIOH-FVQBIDKESA-N 2 1 350.463 0.894 20 0 FCADMP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051624283 676107116 /nfs/dbraw/zinc/10/71/16/676107116.db2.gz PDOPEHFJNLHIOH-FVQBIDKESA-N 2 1 350.463 0.894 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000880129469 673174792 /nfs/dbraw/zinc/17/47/92/673174792.db2.gz JOLSJESDQSAUMT-KZNAEPCWSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000880129469 673174801 /nfs/dbraw/zinc/17/48/01/673174801.db2.gz JOLSJESDQSAUMT-KZNAEPCWSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000880129469 673174809 /nfs/dbraw/zinc/17/48/09/673174809.db2.gz JOLSJESDQSAUMT-KZNAEPCWSA-N 2 1 352.523 0.628 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880210912 673181587 /nfs/dbraw/zinc/18/15/87/673181587.db2.gz XLRXTDBUSBDVLI-AEFFLSMTSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])CC(F)(F)F)C1 ZINC000883445304 673376067 /nfs/dbraw/zinc/37/60/67/673376067.db2.gz SJQASLGNKJLCGY-CYBMUJFWSA-N 2 1 354.417 0.282 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000883642208 673387604 /nfs/dbraw/zinc/38/76/04/673387604.db2.gz GYCMUGQRQPLMDD-MNOVXSKESA-N 2 1 350.385 0.135 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000883642208 673387608 /nfs/dbraw/zinc/38/76/08/673387608.db2.gz GYCMUGQRQPLMDD-MNOVXSKESA-N 2 1 350.385 0.135 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000883642209 673387682 /nfs/dbraw/zinc/38/76/82/673387682.db2.gz GYCMUGQRQPLMDD-QWRGUYRKSA-N 2 1 350.385 0.135 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000883642209 673387686 /nfs/dbraw/zinc/38/76/86/673387686.db2.gz GYCMUGQRQPLMDD-QWRGUYRKSA-N 2 1 350.385 0.135 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000884522531 673459470 /nfs/dbraw/zinc/45/94/70/673459470.db2.gz AOQUUDBQEFXHBE-AEGPPILISA-N 2 1 362.499 0.574 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000884522531 673459472 /nfs/dbraw/zinc/45/94/72/673459472.db2.gz AOQUUDBQEFXHBE-AEGPPILISA-N 2 1 362.499 0.574 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000884522851 673459878 /nfs/dbraw/zinc/45/98/78/673459878.db2.gz JQJIJVCRZUNEHR-YRGRVCCFSA-N 2 1 350.488 0.559 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000884522851 673459879 /nfs/dbraw/zinc/45/98/79/673459879.db2.gz JQJIJVCRZUNEHR-YRGRVCCFSA-N 2 1 350.488 0.559 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000884553540 673461577 /nfs/dbraw/zinc/46/15/77/673461577.db2.gz ALAWXTXXCYMDRH-MPPDQPJWSA-N 2 1 362.396 0.323 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884555389 673461901 /nfs/dbraw/zinc/46/19/01/673461901.db2.gz QGVCNMASUYKZLB-AAXDQBDMSA-N 2 1 362.396 0.181 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884587421 673464257 /nfs/dbraw/zinc/46/42/57/673464257.db2.gz IJSYQKKFPFPJAG-SFHVURJKSA-N 2 1 356.511 0.294 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884601783 673465055 /nfs/dbraw/zinc/46/50/55/673465055.db2.gz VSIQIVXPGQLWGE-NSHDSACASA-N 2 1 353.492 0.333 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884617171 673466357 /nfs/dbraw/zinc/46/63/57/673466357.db2.gz IYIVTHNCNALDPK-YNEHKIRRSA-N 2 1 364.412 0.573 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000884775878 673481146 /nfs/dbraw/zinc/48/11/46/673481146.db2.gz KUXJDGUDVYRSEV-MJBXVCDLSA-N 2 1 358.433 0.481 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009274 673497714 /nfs/dbraw/zinc/49/77/14/673497714.db2.gz OWPSPOSFUWQWBE-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000886872087 673604755 /nfs/dbraw/zinc/60/47/55/673604755.db2.gz IVQATRQMQYOXLV-SFHVURJKSA-N 2 1 352.479 0.753 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000886872087 673604759 /nfs/dbraw/zinc/60/47/59/673604759.db2.gz IVQATRQMQYOXLV-SFHVURJKSA-N 2 1 352.479 0.753 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000887079636 673620563 /nfs/dbraw/zinc/62/05/63/673620563.db2.gz WGIRHVVLJONVFY-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890132872 673704797 /nfs/dbraw/zinc/70/47/97/673704797.db2.gz GASZGKVOILHWKV-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP C[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890143531 673707964 /nfs/dbraw/zinc/70/79/64/673707964.db2.gz UYFZYQYLXJYIDO-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890143531 673707967 /nfs/dbraw/zinc/70/79/67/673707967.db2.gz UYFZYQYLXJYIDO-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890143531 673707972 /nfs/dbraw/zinc/70/79/72/673707972.db2.gz UYFZYQYLXJYIDO-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[C@H]1C[N@@H+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741574 673762430 /nfs/dbraw/zinc/76/24/30/673762430.db2.gz GJABVUTYYNQTNS-JKSUJKDBSA-N 2 1 352.479 0.894 20 0 FCADMP CN1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)C[C@H]21 ZINC000927637116 673872867 /nfs/dbraw/zinc/87/28/67/673872867.db2.gz NLZXJIOKLMSWPQ-BRWVUGGUSA-N 2 1 352.479 0.354 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC000927636187 673873095 /nfs/dbraw/zinc/87/30/95/673873095.db2.gz KQOVSFRWPADDHB-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)C[NH+]1CCO ZINC000927636187 673873099 /nfs/dbraw/zinc/87/30/99/673873099.db2.gz KQOVSFRWPADDHB-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)C[NH+]1CCO ZINC000927636187 673873101 /nfs/dbraw/zinc/87/31/01/673873101.db2.gz KQOVSFRWPADDHB-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CCC1(CCC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928552510 673919031 /nfs/dbraw/zinc/91/90/31/673919031.db2.gz VGPOMVOMXHLRBK-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1ncsc1CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071877 675268222 /nfs/dbraw/zinc/26/82/22/675268222.db2.gz KVYZAVAEKXZYHZ-BPLDGKMQSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071877 675268226 /nfs/dbraw/zinc/26/82/26/675268226.db2.gz KVYZAVAEKXZYHZ-BPLDGKMQSA-N 2 1 352.504 0.904 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)CC[N@H+]1C ZINC001011208734 675376798 /nfs/dbraw/zinc/37/67/98/675376798.db2.gz LSQYEADIZOGJEY-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC[NH+]1C ZINC001011208734 675376800 /nfs/dbraw/zinc/37/68/00/675376800.db2.gz LSQYEADIZOGJEY-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC[NH+]1C ZINC001011208734 675376801 /nfs/dbraw/zinc/37/68/01/675376801.db2.gz LSQYEADIZOGJEY-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC001016631042 675403145 /nfs/dbraw/zinc/40/31/45/675403145.db2.gz MBZLNLIKMHLKBI-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019030974 675420153 /nfs/dbraw/zinc/42/01/53/675420153.db2.gz CPDSTJSRNMYPOE-IVMMDQJWSA-N 2 1 350.467 0.016 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019030974 675420155 /nfs/dbraw/zinc/42/01/55/675420155.db2.gz CPDSTJSRNMYPOE-IVMMDQJWSA-N 2 1 350.467 0.016 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)CC[N@H+]1C ZINC001020274330 675439186 /nfs/dbraw/zinc/43/91/86/675439186.db2.gz TVZMUBLKDQUZEQ-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCCO)CC3)CC[N@H+]1C ZINC001045672274 675656808 /nfs/dbraw/zinc/65/68/08/675656808.db2.gz PMVMDCTVJGTPFK-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001045781497 675657996 /nfs/dbraw/zinc/65/79/96/675657996.db2.gz PLHBTBUURBRXGL-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001045781497 675657998 /nfs/dbraw/zinc/65/79/98/675657998.db2.gz PLHBTBUURBRXGL-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001045781497 675657999 /nfs/dbraw/zinc/65/79/99/675657999.db2.gz PLHBTBUURBRXGL-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001045781497 675658000 /nfs/dbraw/zinc/65/80/00/675658000.db2.gz PLHBTBUURBRXGL-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](C/C=C\Cl)C3)CC2)O1 ZINC001046038287 675682425 /nfs/dbraw/zinc/68/24/25/675682425.db2.gz JLARMPSVLPMDIA-YZUVHJKWSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](C/C=C\Cl)C3)CC2)O1 ZINC001046038287 675682428 /nfs/dbraw/zinc/68/24/28/675682428.db2.gz JLARMPSVLPMDIA-YZUVHJKWSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](C/C=C\Cl)C3)CC2)O1 ZINC001046038287 675682430 /nfs/dbraw/zinc/68/24/30/675682430.db2.gz JLARMPSVLPMDIA-YZUVHJKWSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](C/C=C\Cl)C3)CC2)O1 ZINC001046038287 675682432 /nfs/dbraw/zinc/68/24/32/675682432.db2.gz JLARMPSVLPMDIA-YZUVHJKWSA-N 2 1 370.925 0.677 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443392 675682631 /nfs/dbraw/zinc/68/26/31/675682631.db2.gz WNLHZVOEALPXTJ-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443392 675682634 /nfs/dbraw/zinc/68/26/34/675682634.db2.gz WNLHZVOEALPXTJ-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443392 675682638 /nfs/dbraw/zinc/68/26/38/675682638.db2.gz WNLHZVOEALPXTJ-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000900683271 675706978 /nfs/dbraw/zinc/70/69/78/675706978.db2.gz YIDSQHMJWDNLRB-UHFFFAOYSA-N 2 1 354.539 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001046328486 675708709 /nfs/dbraw/zinc/70/87/09/675708709.db2.gz FKHWAALWPXMMDC-KYJSFNMBSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001046328486 675708711 /nfs/dbraw/zinc/70/87/11/675708711.db2.gz FKHWAALWPXMMDC-KYJSFNMBSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001046328486 675708714 /nfs/dbraw/zinc/70/87/14/675708714.db2.gz FKHWAALWPXMMDC-KYJSFNMBSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001046328486 675708716 /nfs/dbraw/zinc/70/87/16/675708716.db2.gz FKHWAALWPXMMDC-KYJSFNMBSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000901057688 675747020 /nfs/dbraw/zinc/74/70/20/675747020.db2.gz MFLVASOHBSBNBZ-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000901058224 675747407 /nfs/dbraw/zinc/74/74/07/675747407.db2.gz YRRSUKVROCALQX-UHFFFAOYSA-N 2 1 354.539 0.754 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CCO)CC3)C2)O1 ZINC001047244506 675788871 /nfs/dbraw/zinc/78/88/71/675788871.db2.gz RXEXCDXHWZASLM-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CCO)CC3)C2)O1 ZINC001047244506 675788873 /nfs/dbraw/zinc/78/88/73/675788873.db2.gz RXEXCDXHWZASLM-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2O)O1 ZINC001047428393 675799361 /nfs/dbraw/zinc/79/93/61/675799361.db2.gz JGRFVZKPJJLGDZ-UQOMUDLDSA-N 2 1 361.433 0.254 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2O)O1 ZINC001047428393 675799364 /nfs/dbraw/zinc/79/93/64/675799364.db2.gz JGRFVZKPJJLGDZ-UQOMUDLDSA-N 2 1 361.433 0.254 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)O1 ZINC001047428393 675799369 /nfs/dbraw/zinc/79/93/69/675799369.db2.gz JGRFVZKPJJLGDZ-UQOMUDLDSA-N 2 1 361.433 0.254 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)O1 ZINC001047428393 675799373 /nfs/dbraw/zinc/79/93/73/675799373.db2.gz JGRFVZKPJJLGDZ-UQOMUDLDSA-N 2 1 361.433 0.254 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075906766 1192181228 /nfs/dbraw/zinc/18/12/28/1192181228.db2.gz YTVXUMMCQQDNAQ-GVDBMIGSSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075906766 1192181241 /nfs/dbraw/zinc/18/12/41/1192181241.db2.gz YTVXUMMCQQDNAQ-GVDBMIGSSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075906766 1192181255 /nfs/dbraw/zinc/18/12/55/1192181255.db2.gz YTVXUMMCQQDNAQ-GVDBMIGSSA-N 2 1 363.506 0.419 20 0 FCADMP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001112472875 1167820365 /nfs/dbraw/zinc/82/03/65/1167820365.db2.gz LZZPADGTLWBZMN-LIRRHRJNSA-N 2 1 359.474 0.466 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CCN1C(=O)C[NH+]1CCCC1 ZINC000988539208 1192268810 /nfs/dbraw/zinc/26/88/10/1192268810.db2.gz FAEJJVWQINXNKG-PMPSAXMXSA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988542694 1192271236 /nfs/dbraw/zinc/27/12/36/1192271236.db2.gz CMVIWXPHMBXAIM-OWCLPIDISA-N 2 1 371.485 0.962 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969509262 1167998096 /nfs/dbraw/zinc/99/80/96/1167998096.db2.gz WUOAMZIOMVNJSX-XHSDSOJGSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC000969512527 1167998167 /nfs/dbraw/zinc/99/81/67/1167998167.db2.gz OFQXAGCNOMRBEC-CVEARBPZSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001020612736 1168160680 /nfs/dbraw/zinc/16/06/80/1168160680.db2.gz AHJIOTJGWRRJBS-DZVNLGKHSA-N 2 1 358.486 0.833 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@H]4COC[C@@H](C3)C4[NH3+])n2)CC1 ZINC001167188343 1168441755 /nfs/dbraw/zinc/44/17/55/1168441755.db2.gz VJMSWXXUKYDNPL-MZBDJJRSSA-N 2 1 361.446 0.276 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001021235231 1168847485 /nfs/dbraw/zinc/84/74/85/1168847485.db2.gz CEOAJIDFBVLXAB-YESZJQIVSA-N 2 1 360.502 0.768 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001021636456 1169855986 /nfs/dbraw/zinc/85/59/86/1169855986.db2.gz QBANQAYCUNQRAP-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@H+]1C ZINC001021709528 1169910030 /nfs/dbraw/zinc/91/00/30/1169910030.db2.gz CADPDLCVEIUWKU-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001021715091 1169923945 /nfs/dbraw/zinc/92/39/45/1169923945.db2.gz SFUGLNPIKROPII-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001021715091 1169923966 /nfs/dbraw/zinc/92/39/66/1169923966.db2.gz SFUGLNPIKROPII-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001021942038 1170329595 /nfs/dbraw/zinc/32/95/95/1170329595.db2.gz YMCQJLYLPFHCFI-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001021942038 1170329602 /nfs/dbraw/zinc/32/96/02/1170329602.db2.gz YMCQJLYLPFHCFI-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP CC(=O)NCCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691079237 1170731032 /nfs/dbraw/zinc/73/10/32/1170731032.db2.gz JOGMONGVOVGCRB-HYVNUMGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691079237 1170731050 /nfs/dbraw/zinc/73/10/50/1170731050.db2.gz JOGMONGVOVGCRB-HYVNUMGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691079237 1170731056 /nfs/dbraw/zinc/73/10/56/1170731056.db2.gz JOGMONGVOVGCRB-HYVNUMGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022211974 1170756575 /nfs/dbraw/zinc/75/65/75/1170756575.db2.gz XKIIAVDQTZSRKM-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087167172 1170770263 /nfs/dbraw/zinc/77/02/63/1170770263.db2.gz WGMCNFRGWAPVQI-KBMXLJTQSA-N 2 1 361.494 0.269 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000124288582 1170780988 /nfs/dbraw/zinc/78/09/88/1170780988.db2.gz GVFWRWFSIQMCLR-PBHICJAKSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124288582 1170780993 /nfs/dbraw/zinc/78/09/93/1170780993.db2.gz GVFWRWFSIQMCLR-PBHICJAKSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001691095801 1170801436 /nfs/dbraw/zinc/80/14/36/1170801436.db2.gz LDFANCZYMLVGSC-PNBKFKSVSA-N 2 1 362.474 0.720 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891749818 1170843790 /nfs/dbraw/zinc/84/37/90/1170843790.db2.gz YNILULIPQBMXQI-DLBZAZTESA-N 2 1 367.538 0.253 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891749818 1170843791 /nfs/dbraw/zinc/84/37/91/1170843791.db2.gz YNILULIPQBMXQI-DLBZAZTESA-N 2 1 367.538 0.253 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000891831004 1170893153 /nfs/dbraw/zinc/89/31/53/1170893153.db2.gz YYJZUQJDLUPGBM-DLBZAZTESA-N 2 1 358.490 0.679 20 0 FCADMP CN(C)c1noc(CN[C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001691263566 1170985609 /nfs/dbraw/zinc/98/56/09/1170985609.db2.gz WNQAUXKHDYMMGX-SOUVJXGZSA-N 2 1 364.494 0.852 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001691263566 1170985635 /nfs/dbraw/zinc/98/56/35/1170985635.db2.gz WNQAUXKHDYMMGX-SOUVJXGZSA-N 2 1 364.494 0.852 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001691263566 1170985652 /nfs/dbraw/zinc/98/56/52/1170985652.db2.gz WNQAUXKHDYMMGX-SOUVJXGZSA-N 2 1 364.494 0.852 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1OCC ZINC001691328338 1171103477 /nfs/dbraw/zinc/10/34/77/1171103477.db2.gz YGUPFRGSSAPYHM-MWDXBVQZSA-N 2 1 368.522 0.306 20 0 FCADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892266563 1171874756 /nfs/dbraw/zinc/87/47/56/1171874756.db2.gz KDTBGGDECDQQAW-SJORKVTESA-N 2 1 365.522 0.224 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892275611 1171956427 /nfs/dbraw/zinc/95/64/27/1171956427.db2.gz YYFTVEAYABOEET-SJORKVTESA-N 2 1 365.522 0.367 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C)C(N)=O ZINC001104424561 1171972644 /nfs/dbraw/zinc/97/26/44/1171972644.db2.gz KSYIUYUWFTVZDZ-RBSFLKMASA-N 2 1 361.490 0.710 20 0 FCADMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892283516 1171990255 /nfs/dbraw/zinc/99/02/55/1171990255.db2.gz QGSSNTZMXKYSHB-SFHVURJKSA-N 2 1 364.490 0.731 20 0 FCADMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892283516 1171990271 /nfs/dbraw/zinc/99/02/71/1171990271.db2.gz QGSSNTZMXKYSHB-SFHVURJKSA-N 2 1 364.490 0.731 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211557522 1172071055 /nfs/dbraw/zinc/07/10/55/1172071055.db2.gz UQAUVKYDHAQTGL-OTWHNJEPSA-N 2 1 370.497 0.943 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059943259 1192614153 /nfs/dbraw/zinc/61/41/53/1192614153.db2.gz LGUDBUOHCLJKHM-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059943259 1192614156 /nfs/dbraw/zinc/61/41/56/1192614156.db2.gz LGUDBUOHCLJKHM-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCN1CCCC1=O ZINC001088621152 1192682697 /nfs/dbraw/zinc/68/26/97/1192682697.db2.gz SHUZOWFIDOTVME-OWCLPIDISA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCN1CCCC1=O ZINC001088621152 1192682701 /nfs/dbraw/zinc/68/27/01/1192682701.db2.gz SHUZOWFIDOTVME-OWCLPIDISA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001059969280 1192812675 /nfs/dbraw/zinc/81/26/75/1192812675.db2.gz FFEBRJJMBYOKTP-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000989386565 1192827025 /nfs/dbraw/zinc/82/70/25/1192827025.db2.gz RDZKZUBRWDQBMO-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000989386565 1192827027 /nfs/dbraw/zinc/82/70/27/1192827027.db2.gz RDZKZUBRWDQBMO-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000897677391 1192841317 /nfs/dbraw/zinc/84/13/17/1192841317.db2.gz NXNNJTAVGBFRPO-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000897939885 1192852350 /nfs/dbraw/zinc/85/23/50/1192852350.db2.gz ULYJWJUHYDHQCT-CVEARBPZSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000897939885 1192852352 /nfs/dbraw/zinc/85/23/52/1192852352.db2.gz ULYJWJUHYDHQCT-CVEARBPZSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000898030001 1192855436 /nfs/dbraw/zinc/85/54/36/1192855436.db2.gz KRONQKPVCOIMEQ-CVEARBPZSA-N 2 1 371.485 0.885 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000898270901 1192864824 /nfs/dbraw/zinc/86/48/24/1192864824.db2.gz YSGQQPPUKIGMQR-IEBWSBKVSA-N 2 1 358.486 0.912 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001691554535 1192874707 /nfs/dbraw/zinc/87/47/07/1192874707.db2.gz LUFSVASBMHFTJL-PMPSAXMXSA-N 2 1 356.486 0.583 20 0 FCADMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087236313 1179058149 /nfs/dbraw/zinc/05/81/49/1179058149.db2.gz QRPJOJDGCCAQIP-ILXRZTDVSA-N 2 1 364.494 0.167 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001023215362 1179229310 /nfs/dbraw/zinc/22/93/10/1179229310.db2.gz XPWCDAKQKWUMNX-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001023377594 1179494038 /nfs/dbraw/zinc/49/40/38/1179494038.db2.gz QVGWMOJLAACGEX-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001023377594 1179494052 /nfs/dbraw/zinc/49/40/52/1179494052.db2.gz QVGWMOJLAACGEX-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001023377594 1179494084 /nfs/dbraw/zinc/49/40/84/1179494084.db2.gz QVGWMOJLAACGEX-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023380907 1179509026 /nfs/dbraw/zinc/50/90/26/1179509026.db2.gz IWBRLSJBLCLATK-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023380907 1179509037 /nfs/dbraw/zinc/50/90/37/1179509037.db2.gz IWBRLSJBLCLATK-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023380907 1179509055 /nfs/dbraw/zinc/50/90/55/1179509055.db2.gz IWBRLSJBLCLATK-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452358 1179756023 /nfs/dbraw/zinc/75/60/23/1179756023.db2.gz YJDUOXAOQGJTJC-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452358 1179756031 /nfs/dbraw/zinc/75/60/31/1179756031.db2.gz YJDUOXAOQGJTJC-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452358 1179756039 /nfs/dbraw/zinc/75/60/39/1179756039.db2.gz YJDUOXAOQGJTJC-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452358 1179756048 /nfs/dbraw/zinc/75/60/48/1179756048.db2.gz YJDUOXAOQGJTJC-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000785176851 1180031196 /nfs/dbraw/zinc/03/11/96/1180031196.db2.gz QVVSFDAMFTXFDV-UHFFFAOYSA-N 2 1 360.418 0.257 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000127942995 1180035786 /nfs/dbraw/zinc/03/57/86/1180035786.db2.gz KLEKQLFNHBUCOZ-ZBFHGGJFSA-N 2 1 357.462 0.900 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023690821 1180111359 /nfs/dbraw/zinc/11/13/59/1180111359.db2.gz WJISEACDBCSUTK-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001023993581 1180730336 /nfs/dbraw/zinc/73/03/36/1180730336.db2.gz JDEIFBQJSIJVPT-OWCLPIDISA-N 2 1 366.485 0.916 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023994016 1180731538 /nfs/dbraw/zinc/73/15/38/1180731538.db2.gz WJIACPSUBNAXIG-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024036476 1180805150 /nfs/dbraw/zinc/80/51/50/1180805150.db2.gz NCSZRXHHNJETNL-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024036476 1180805152 /nfs/dbraw/zinc/80/51/52/1180805152.db2.gz NCSZRXHHNJETNL-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024035726 1180805320 /nfs/dbraw/zinc/80/53/20/1180805320.db2.gz AEXCGFHMZABJCR-HLLBOEOZSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024035726 1180805322 /nfs/dbraw/zinc/80/53/22/1180805322.db2.gz AEXCGFHMZABJCR-HLLBOEOZSA-N 2 1 364.494 0.345 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@H]21 ZINC000892519220 1181709735 /nfs/dbraw/zinc/70/97/35/1181709735.db2.gz MZHQRSPSOCXJJK-CRAIPNDOSA-N 2 1 369.473 0.962 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@H]21 ZINC000892519221 1181710111 /nfs/dbraw/zinc/71/01/11/1181710111.db2.gz MZHQRSPSOCXJJK-MAUKXSAKSA-N 2 1 369.473 0.962 20 0 FCADMP COc1ccc(CN2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083273869 1181736640 /nfs/dbraw/zinc/73/66/40/1181736640.db2.gz LQLWGNSJGFICKF-IXDOHACOSA-N 2 1 360.458 0.454 20 0 FCADMP COc1cccc(CN2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083274009 1181741091 /nfs/dbraw/zinc/74/10/91/1181741091.db2.gz RNPKCFKEMNDKMU-BHYGNILZSA-N 2 1 360.458 0.454 20 0 FCADMP CCn1cc(CCN2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083275164 1181779965 /nfs/dbraw/zinc/77/99/65/1181779965.db2.gz REUDCBFOVKETQR-FGTMMUONSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083275164 1181779972 /nfs/dbraw/zinc/77/99/72/1181779972.db2.gz REUDCBFOVKETQR-FGTMMUONSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083275164 1181779978 /nfs/dbraw/zinc/77/99/78/1181779978.db2.gz REUDCBFOVKETQR-FGTMMUONSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083275164 1181779983 /nfs/dbraw/zinc/77/99/83/1181779983.db2.gz REUDCBFOVKETQR-FGTMMUONSA-N 2 1 361.490 0.309 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083275164 1181779988 /nfs/dbraw/zinc/77/99/88/1181779988.db2.gz REUDCBFOVKETQR-FGTMMUONSA-N 2 1 361.490 0.309 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001480975573 1181859774 /nfs/dbraw/zinc/85/97/74/1181859774.db2.gz BTXYFNQFBXLQDM-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001480975573 1181859775 /nfs/dbraw/zinc/85/97/75/1181859775.db2.gz BTXYFNQFBXLQDM-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001480975573 1181859778 /nfs/dbraw/zinc/85/97/78/1181859778.db2.gz BTXYFNQFBXLQDM-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001480975573 1181859782 /nfs/dbraw/zinc/85/97/82/1181859782.db2.gz BTXYFNQFBXLQDM-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000892704755 1182383682 /nfs/dbraw/zinc/38/36/82/1182383682.db2.gz NZHQGIGSLIESTN-ROUUACIJSA-N 2 1 373.501 0.824 20 0 FCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000892938919 1182661916 /nfs/dbraw/zinc/66/19/16/1182661916.db2.gz TZQVDRFOINENRA-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[N@H+]1C ZINC001025794009 1182845704 /nfs/dbraw/zinc/84/57/04/1182845704.db2.gz HYHNONCWCILEMV-HZYJHYJVSA-N 2 1 360.502 0.526 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794009 1182845707 /nfs/dbraw/zinc/84/57/07/1182845707.db2.gz HYHNONCWCILEMV-HZYJHYJVSA-N 2 1 360.502 0.526 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794009 1182845711 /nfs/dbraw/zinc/84/57/11/1182845711.db2.gz HYHNONCWCILEMV-HZYJHYJVSA-N 2 1 360.502 0.526 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818270 1182859595 /nfs/dbraw/zinc/85/95/95/1182859595.db2.gz MQUMACDOWNCHKJ-XFMWHNAVSA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818270 1182859598 /nfs/dbraw/zinc/85/95/98/1182859598.db2.gz MQUMACDOWNCHKJ-XFMWHNAVSA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818270 1182859600 /nfs/dbraw/zinc/85/96/00/1182859600.db2.gz MQUMACDOWNCHKJ-XFMWHNAVSA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818270 1182859603 /nfs/dbraw/zinc/85/96/03/1182859603.db2.gz MQUMACDOWNCHKJ-XFMWHNAVSA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818270 1182859605 /nfs/dbraw/zinc/85/96/05/1182859605.db2.gz MQUMACDOWNCHKJ-XFMWHNAVSA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104908446 1182990590 /nfs/dbraw/zinc/99/05/90/1182990590.db2.gz XHXFWUULVJVMOC-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001105017197 1183070568 /nfs/dbraw/zinc/07/05/68/1183070568.db2.gz URDWTZSUGDERDC-IJEWVQPXSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001026514752 1183145557 /nfs/dbraw/zinc/14/55/57/1183145557.db2.gz QSXPOXDHRDYSML-YHOLWWCESA-N 2 1 363.506 0.965 20 0 FCADMP CCn1nncc1C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001026514509 1183145766 /nfs/dbraw/zinc/14/57/66/1183145766.db2.gz HLZULEMAWXISBO-ARAOSMHQSA-N 2 1 364.494 0.534 20 0 FCADMP CCn1nncc1C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001026514509 1183145775 /nfs/dbraw/zinc/14/57/75/1183145775.db2.gz HLZULEMAWXISBO-ARAOSMHQSA-N 2 1 364.494 0.534 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccccc1 ZINC001267987904 1183286493 /nfs/dbraw/zinc/28/64/93/1183286493.db2.gz ZPZLENAKZPWSRI-JFIYKMOQSA-N 2 1 360.502 0.985 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000974550837 1183325441 /nfs/dbraw/zinc/32/54/41/1183325441.db2.gz XWPIHRJQHUCZAO-IAGOWNOFSA-N 2 1 371.485 0.879 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000974576972 1183347712 /nfs/dbraw/zinc/34/77/12/1183347712.db2.gz PDLYSMPVELXBEX-KBAYOESNSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001026851314 1183411439 /nfs/dbraw/zinc/41/14/39/1183411439.db2.gz CCLYDONVMPUGJF-MGPQQGTHSA-N 2 1 370.448 0.822 20 0 FCADMP COc1coc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001026853247 1183416890 /nfs/dbraw/zinc/41/68/90/1183416890.db2.gz BMUSILAETICKKI-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001026916249 1183490533 /nfs/dbraw/zinc/49/05/33/1183490533.db2.gz FWLQDJUMHFUDJP-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001026916249 1183490534 /nfs/dbraw/zinc/49/05/34/1183490534.db2.gz FWLQDJUMHFUDJP-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC000975617533 1183946318 /nfs/dbraw/zinc/94/63/18/1183946318.db2.gz UWPZIOODSKMEOU-JQHSSLGASA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717965 1185635121 /nfs/dbraw/zinc/63/51/21/1185635121.db2.gz AZGVSQFGTZBQAG-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717965 1185635128 /nfs/dbraw/zinc/63/51/28/1185635128.db2.gz AZGVSQFGTZBQAG-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC000975719255 1185641190 /nfs/dbraw/zinc/64/11/90/1185641190.db2.gz JCFKGHXBAPHVHM-SPUZQDLCSA-N 2 1 373.501 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC000975719255 1185641199 /nfs/dbraw/zinc/64/11/99/1185641199.db2.gz JCFKGHXBAPHVHM-SPUZQDLCSA-N 2 1 373.501 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC000975810262 1185814525 /nfs/dbraw/zinc/81/45/25/1185814525.db2.gz BXWHFBPHYMABBT-XDNAFOTISA-N 2 1 373.501 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC000975810262 1185814526 /nfs/dbraw/zinc/81/45/26/1185814526.db2.gz BXWHFBPHYMABBT-XDNAFOTISA-N 2 1 373.501 0.981 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000976023902 1185875201 /nfs/dbraw/zinc/87/52/01/1185875201.db2.gz LUUJIDOBMIZVOH-BZSNNMDCSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979874682 1186134441 /nfs/dbraw/zinc/13/44/41/1186134441.db2.gz HHFDGTPHBAYTAH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979874682 1186134445 /nfs/dbraw/zinc/13/44/45/1186134445.db2.gz HHFDGTPHBAYTAH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000979874682 1186134452 /nfs/dbraw/zinc/13/44/52/1186134452.db2.gz HHFDGTPHBAYTAH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000979874682 1186134460 /nfs/dbraw/zinc/13/44/60/1186134460.db2.gz HHFDGTPHBAYTAH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000979886882 1186136487 /nfs/dbraw/zinc/13/64/87/1186136487.db2.gz QVGVMYJERZUGDN-LUKYLMHMSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000979997187 1186159818 /nfs/dbraw/zinc/15/98/18/1186159818.db2.gz VJDJYQNSTVQERO-BQJWPVKWSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000979997187 1186159822 /nfs/dbraw/zinc/15/98/22/1186159822.db2.gz VJDJYQNSTVQERO-BQJWPVKWSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000979997187 1186159825 /nfs/dbraw/zinc/15/98/25/1186159825.db2.gz VJDJYQNSTVQERO-BQJWPVKWSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000979997187 1186159831 /nfs/dbraw/zinc/15/98/31/1186159831.db2.gz VJDJYQNSTVQERO-BQJWPVKWSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000979996819 1186160008 /nfs/dbraw/zinc/16/00/08/1186160008.db2.gz SIDQKEODIUOXNK-BQJWPVKWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000979996819 1186160011 /nfs/dbraw/zinc/16/00/11/1186160011.db2.gz SIDQKEODIUOXNK-BQJWPVKWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000979996819 1186160014 /nfs/dbraw/zinc/16/00/14/1186160014.db2.gz SIDQKEODIUOXNK-BQJWPVKWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000979996819 1186160017 /nfs/dbraw/zinc/16/00/17/1186160017.db2.gz SIDQKEODIUOXNK-BQJWPVKWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1C ZINC001058845501 1186245170 /nfs/dbraw/zinc/24/51/70/1186245170.db2.gz PNJQSEOBEBGVPI-YESZJQIVSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001058845501 1186245176 /nfs/dbraw/zinc/24/51/76/1186245176.db2.gz PNJQSEOBEBGVPI-YESZJQIVSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001058845501 1186245185 /nfs/dbraw/zinc/24/51/85/1186245185.db2.gz PNJQSEOBEBGVPI-YESZJQIVSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000981477721 1186424339 /nfs/dbraw/zinc/42/43/39/1186424339.db2.gz MFDWLEPKDTWFKQ-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000981477721 1186424342 /nfs/dbraw/zinc/42/43/42/1186424342.db2.gz MFDWLEPKDTWFKQ-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776855 1186517574 /nfs/dbraw/zinc/51/75/74/1186517574.db2.gz YVWUJMRYUVGGFI-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776855 1186517577 /nfs/dbraw/zinc/51/75/77/1186517577.db2.gz YVWUJMRYUVGGFI-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776855 1186517581 /nfs/dbraw/zinc/51/75/81/1186517581.db2.gz YVWUJMRYUVGGFI-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCN2CCCC2=O)C3)CC[N@H+]1C ZINC000981776835 1186517777 /nfs/dbraw/zinc/51/77/77/1186517777.db2.gz YAPDNOYKWWXFBM-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCN2CCCC2=O)C3)CC[NH+]1C ZINC000981776835 1186517781 /nfs/dbraw/zinc/51/77/81/1186517781.db2.gz YAPDNOYKWWXFBM-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCN2CCCC2=O)C3)CC[NH+]1C ZINC000981776835 1186517783 /nfs/dbraw/zinc/51/77/83/1186517783.db2.gz YAPDNOYKWWXFBM-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CC(=O)NC2CC2)C3)CC[N@H+]1C ZINC000981778834 1186519515 /nfs/dbraw/zinc/51/95/15/1186519515.db2.gz SPZDVWDACMFGCI-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NC2CC2)C3)CC[N@@H+]1C ZINC000981778834 1186519518 /nfs/dbraw/zinc/51/95/18/1186519518.db2.gz SPZDVWDACMFGCI-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NC2CC2)C3)CC[N@H+]1C ZINC000981778834 1186519524 /nfs/dbraw/zinc/51/95/24/1186519524.db2.gz SPZDVWDACMFGCI-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC000981778834 1186519527 /nfs/dbraw/zinc/51/95/27/1186519527.db2.gz SPZDVWDACMFGCI-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC000981778834 1186519531 /nfs/dbraw/zinc/51/95/31/1186519531.db2.gz SPZDVWDACMFGCI-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613804 1186652292 /nfs/dbraw/zinc/65/22/92/1186652292.db2.gz QFIARVLHBRENNK-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613804 1186652299 /nfs/dbraw/zinc/65/22/99/1186652299.db2.gz QFIARVLHBRENNK-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613804 1186652303 /nfs/dbraw/zinc/65/23/03/1186652303.db2.gz QFIARVLHBRENNK-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075613804 1186652306 /nfs/dbraw/zinc/65/23/06/1186652306.db2.gz QFIARVLHBRENNK-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001075614063 1186653261 /nfs/dbraw/zinc/65/32/61/1186653261.db2.gz ZRMQUMPCJVURDO-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001075614063 1186653262 /nfs/dbraw/zinc/65/32/62/1186653262.db2.gz ZRMQUMPCJVURDO-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001075614063 1186653265 /nfs/dbraw/zinc/65/32/65/1186653265.db2.gz ZRMQUMPCJVURDO-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001075614063 1186653270 /nfs/dbraw/zinc/65/32/70/1186653270.db2.gz ZRMQUMPCJVURDO-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001075614064 1186653422 /nfs/dbraw/zinc/65/34/22/1186653422.db2.gz ZRMQUMPCJVURDO-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001075614064 1186653427 /nfs/dbraw/zinc/65/34/27/1186653427.db2.gz ZRMQUMPCJVURDO-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001075614064 1186653432 /nfs/dbraw/zinc/65/34/32/1186653432.db2.gz ZRMQUMPCJVURDO-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001075614064 1186653433 /nfs/dbraw/zinc/65/34/33/1186653433.db2.gz ZRMQUMPCJVURDO-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+](C)CC1 ZINC000888994246 1187461818 /nfs/dbraw/zinc/46/18/18/1187461818.db2.gz ZZHFZVANVUJNFH-IBGZPJMESA-N 2 1 359.518 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001745733045 1187493781 /nfs/dbraw/zinc/49/37/81/1187493781.db2.gz JBJJJBNSXLUJAE-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441557 1187494410 /nfs/dbraw/zinc/49/44/10/1187494410.db2.gz NVILMHPHTZWRGD-KBAYOESNSA-N 2 1 358.486 0.788 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332894385 1187539386 /nfs/dbraw/zinc/53/93/86/1187539386.db2.gz YBDVJKXVMKCVBJ-DLBZAZTESA-N 2 1 367.538 0.422 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001028550909 1187602317 /nfs/dbraw/zinc/60/23/17/1187602317.db2.gz URJRZAZKGNUVNJ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001028550909 1187602320 /nfs/dbraw/zinc/60/23/20/1187602320.db2.gz URJRZAZKGNUVNJ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001028550909 1187602322 /nfs/dbraw/zinc/60/23/22/1187602322.db2.gz URJRZAZKGNUVNJ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000982994247 1187809598 /nfs/dbraw/zinc/80/95/98/1187809598.db2.gz ZTRXNIVXNNRRMW-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000982994247 1187809599 /nfs/dbraw/zinc/80/95/99/1187809599.db2.gz ZTRXNIVXNNRRMW-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)[C@@H]2CCCc3c[nH+]cn32)C1=O ZINC001270286182 1188080322 /nfs/dbraw/zinc/08/03/22/1188080322.db2.gz GSGJMNXCCKXPBX-QFBILLFUSA-N 2 1 359.474 0.916 20 0 FCADMP C[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CCn4ccnc4)C3=O)C2)C1 ZINC001270334009 1188099252 /nfs/dbraw/zinc/09/92/52/1188099252.db2.gz WHQYBLLREGQYLB-APWZRJJASA-N 2 1 359.474 0.676 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1 ZINC001280246456 1188197368 /nfs/dbraw/zinc/19/73/68/1188197368.db2.gz ZCIIMKUIGDPBOW-FQEVSTJZSA-N 3 1 367.582 0.352 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001280246456 1188197375 /nfs/dbraw/zinc/19/73/75/1188197375.db2.gz ZCIIMKUIGDPBOW-FQEVSTJZSA-N 2 1 367.582 0.352 20 0 FCADMP CN1CCN(CCC[N@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001280246456 1188197382 /nfs/dbraw/zinc/19/73/82/1188197382.db2.gz ZCIIMKUIGDPBOW-FQEVSTJZSA-N 2 1 367.582 0.352 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001029101897 1188271483 /nfs/dbraw/zinc/27/14/83/1188271483.db2.gz QIHJUWKOQQFOGZ-VNQPRFMTSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000550349073 1188341409 /nfs/dbraw/zinc/34/14/09/1188341409.db2.gz VTWRCOGSTRVFCB-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075800413 1189367346 /nfs/dbraw/zinc/36/73/46/1189367346.db2.gz XGQVIFUWUWXJTR-RYQLBKOJSA-N 2 1 371.485 0.860 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075800413 1189367350 /nfs/dbraw/zinc/36/73/50/1189367350.db2.gz XGQVIFUWUWXJTR-RYQLBKOJSA-N 2 1 371.485 0.860 20 0 FCADMP CCCc1nc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984011379 1189369881 /nfs/dbraw/zinc/36/98/81/1189369881.db2.gz CMJZAYQXUNWMEF-KBUPBQIOSA-N 2 1 365.478 0.726 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)n1 ZINC001075804006 1189393004 /nfs/dbraw/zinc/39/30/04/1189393004.db2.gz PGFIUMCVWLLKEO-FUHWJXTLSA-N 2 1 371.489 0.488 20 0 FCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803814 1189393486 /nfs/dbraw/zinc/39/34/86/1189393486.db2.gz FOHQQVVFGGONIB-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803814 1189393493 /nfs/dbraw/zinc/39/34/93/1189393493.db2.gz FOHQQVVFGGONIB-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087578644 1189619065 /nfs/dbraw/zinc/61/90/65/1189619065.db2.gz HHDRRCYSEOQVQV-MWDXBVQZSA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CCn1cncn1 ZINC001087700547 1189774100 /nfs/dbraw/zinc/77/41/00/1189774100.db2.gz PPGIHJPOGVBIRI-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CCn1cncn1 ZINC001087700547 1189774120 /nfs/dbraw/zinc/77/41/20/1189774120.db2.gz PPGIHJPOGVBIRI-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CCn1cncn1 ZINC001087700547 1189774140 /nfs/dbraw/zinc/77/41/40/1189774140.db2.gz PPGIHJPOGVBIRI-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CCn1cncn1 ZINC001087700547 1189774158 /nfs/dbraw/zinc/77/41/58/1189774158.db2.gz PPGIHJPOGVBIRI-GVDBMIGSSA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087711650 1189801296 /nfs/dbraw/zinc/80/12/96/1189801296.db2.gz PSBGVOXKISEUKG-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087711650 1189801297 /nfs/dbraw/zinc/80/12/97/1189801297.db2.gz PSBGVOXKISEUKG-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCn1nc(C)nc1C ZINC001087799441 1189829132 /nfs/dbraw/zinc/82/91/32/1189829132.db2.gz VDNCHOBTUUNGCQ-DLBZAZTESA-N 2 1 360.506 0.960 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CC(=O)Nc1cnccn1 ZINC001087828270 1189841327 /nfs/dbraw/zinc/84/13/27/1189841327.db2.gz FTQGGEORSXNXLX-SOUVJXGZSA-N 2 1 360.462 0.336 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087828617 1189841579 /nfs/dbraw/zinc/84/15/79/1189841579.db2.gz QANPGRDWCSFJSQ-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087828617 1189841582 /nfs/dbraw/zinc/84/15/82/1189841582.db2.gz QANPGRDWCSFJSQ-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087828617 1189841583 /nfs/dbraw/zinc/84/15/83/1189841583.db2.gz QANPGRDWCSFJSQ-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087828617 1189841584 /nfs/dbraw/zinc/84/15/84/1189841584.db2.gz QANPGRDWCSFJSQ-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCN1CCCC1=O ZINC001087834956 1189843377 /nfs/dbraw/zinc/84/33/77/1189843377.db2.gz CXFRCDHWKSUHJY-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CCN1CCCC1=O ZINC001087834956 1189843378 /nfs/dbraw/zinc/84/33/78/1189843378.db2.gz CXFRCDHWKSUHJY-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CCN1CCCC1=O ZINC001087834956 1189843381 /nfs/dbraw/zinc/84/33/81/1189843381.db2.gz CXFRCDHWKSUHJY-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCN1CCCC1=O ZINC001087834956 1189843385 /nfs/dbraw/zinc/84/33/85/1189843385.db2.gz CXFRCDHWKSUHJY-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895851932 1189888052 /nfs/dbraw/zinc/88/80/52/1189888052.db2.gz ZVHGOCDERJUIFW-FGTMMUONSA-N 2 1 366.506 0.480 20 0 FCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920563 1189907221 /nfs/dbraw/zinc/90/72/21/1189907221.db2.gz UCRGDPYFJQHDHT-FGTMMUONSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920563 1189907227 /nfs/dbraw/zinc/90/72/27/1189907227.db2.gz UCRGDPYFJQHDHT-FGTMMUONSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920563 1189907233 /nfs/dbraw/zinc/90/72/33/1189907233.db2.gz UCRGDPYFJQHDHT-FGTMMUONSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920563 1189907237 /nfs/dbraw/zinc/90/72/37/1189907237.db2.gz UCRGDPYFJQHDHT-FGTMMUONSA-N 2 1 361.490 0.074 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971957 1190031673 /nfs/dbraw/zinc/03/16/73/1190031673.db2.gz BZLAILLJLGUYQL-VSZNYVQBSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971957 1190031676 /nfs/dbraw/zinc/03/16/76/1190031676.db2.gz BZLAILLJLGUYQL-VSZNYVQBSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971957 1190031680 /nfs/dbraw/zinc/03/16/80/1190031680.db2.gz BZLAILLJLGUYQL-VSZNYVQBSA-N 2 1 362.518 0.729 20 0 FCADMP CCn1ncc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971843 1190031708 /nfs/dbraw/zinc/03/17/08/1190031708.db2.gz WOJMVKLDTKIUBR-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972071 1190031951 /nfs/dbraw/zinc/03/19/51/1190031951.db2.gz KCLQQFKGPIWQEU-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972071 1190031959 /nfs/dbraw/zinc/03/19/59/1190031959.db2.gz KCLQQFKGPIWQEU-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972071 1190031966 /nfs/dbraw/zinc/03/19/66/1190031966.db2.gz KCLQQFKGPIWQEU-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972071 1190031971 /nfs/dbraw/zinc/03/19/71/1190031971.db2.gz KCLQQFKGPIWQEU-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971989 1190032777 /nfs/dbraw/zinc/03/27/77/1190032777.db2.gz DOBJIITUDCBINH-MXSMSXNCSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971989 1190032782 /nfs/dbraw/zinc/03/27/82/1190032782.db2.gz DOBJIITUDCBINH-MXSMSXNCSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971989 1190032788 /nfs/dbraw/zinc/03/27/88/1190032788.db2.gz DOBJIITUDCBINH-MXSMSXNCSA-N 2 1 362.518 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985777 1190107554 /nfs/dbraw/zinc/10/75/54/1190107554.db2.gz DDIAZOCNRPXIQF-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985777 1190107558 /nfs/dbraw/zinc/10/75/58/1190107558.db2.gz DDIAZOCNRPXIQF-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985777 1190107562 /nfs/dbraw/zinc/10/75/62/1190107562.db2.gz DDIAZOCNRPXIQF-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993196 1190143704 /nfs/dbraw/zinc/14/37/04/1190143704.db2.gz DUOKUZNZDDVOCN-AOIWGVFYSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088042507 1190301786 /nfs/dbraw/zinc/30/17/86/1190301786.db2.gz SHOAAGMASXYVEA-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088042507 1190301790 /nfs/dbraw/zinc/30/17/90/1190301790.db2.gz SHOAAGMASXYVEA-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP OC[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)[C@H](O)[C@@H]1O ZINC001168048206 1190331591 /nfs/dbraw/zinc/33/15/91/1190331591.db2.gz AWQRLFSZWFMHSZ-QODLLSGVSA-N 2 1 360.458 0.865 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090317 1190538031 /nfs/dbraw/zinc/53/80/31/1190538031.db2.gz HNJUWBOQRCOTEE-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088091728 1190545989 /nfs/dbraw/zinc/54/59/89/1190545989.db2.gz XZQYKTVEZCDHDS-UAGQMJEPSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)cc1 ZINC001088107383 1190595050 /nfs/dbraw/zinc/59/50/50/1190595050.db2.gz VHUURTGSINKZHH-MSOLQXFVSA-N 2 1 358.486 0.670 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876910 1190800134 /nfs/dbraw/zinc/80/01/34/1190800134.db2.gz YNOPSJGKZVRKNE-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876910 1190800136 /nfs/dbraw/zinc/80/01/36/1190800136.db2.gz YNOPSJGKZVRKNE-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876910 1190800138 /nfs/dbraw/zinc/80/01/38/1190800138.db2.gz YNOPSJGKZVRKNE-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876910 1190800141 /nfs/dbraw/zinc/80/01/41/1190800141.db2.gz YNOPSJGKZVRKNE-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986143083 1190905208 /nfs/dbraw/zinc/90/52/08/1190905208.db2.gz ZTKIZGZFOHWBPZ-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNC(=O)Cn3ccnc3)C2)CC[N@H+]1C ZINC001059734649 1191071308 /nfs/dbraw/zinc/07/13/08/1191071308.db2.gz YOXPCEOMOTWSNG-IXDOHACOSA-N 2 1 361.490 0.968 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnc([C@@H]3COC(C)(C)N3C(=O)C[NH3+])o2)C[C@@H](C)O1 ZINC001217755780 1224125597 /nfs/dbraw/zinc/12/55/97/1224125597.db2.gz FGUWMNJYSVIFQU-UPJWGTAASA-N 2 1 367.450 0.316 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000988110470 1191150676 /nfs/dbraw/zinc/15/06/76/1191150676.db2.gz QVPUAIMYOASUMY-COXVUDFISA-N 2 1 359.474 0.639 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC000988190200 1191157691 /nfs/dbraw/zinc/15/76/91/1191157691.db2.gz MHIYUFIYFWWLRN-XYPHTWIQSA-N 2 1 359.474 0.639 20 0 FCADMP CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001276765403 1224132783 /nfs/dbraw/zinc/13/27/83/1224132783.db2.gz USSHPZNFBUMPDP-LJQANCHMSA-N 2 1 364.490 0.258 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088572115 1191207736 /nfs/dbraw/zinc/20/77/36/1191207736.db2.gz YEURYSLRUTZCAN-JLSDUUJJSA-N 2 1 358.486 0.806 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nc(C)[nH]c4C3)[C@H]2C1 ZINC001218196696 1224146834 /nfs/dbraw/zinc/14/68/34/1224146834.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 1 362.474 0.771 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)[C@H]2C1 ZINC001218196696 1224146836 /nfs/dbraw/zinc/14/68/36/1224146836.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 1 362.474 0.771 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)[C@H]2C1 ZINC001218196696 1224146839 /nfs/dbraw/zinc/14/68/39/1224146839.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 1 362.474 0.771 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)C1 ZINC001218510228 1224164874 /nfs/dbraw/zinc/16/48/74/1224164874.db2.gz PDLDETRBHKXHDJ-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001218510228 1224164876 /nfs/dbraw/zinc/16/48/76/1224164876.db2.gz PDLDETRBHKXHDJ-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001218510228 1224164877 /nfs/dbraw/zinc/16/48/77/1224164877.db2.gz PDLDETRBHKXHDJ-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001218510228 1224164881 /nfs/dbraw/zinc/16/48/81/1224164881.db2.gz PDLDETRBHKXHDJ-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001218510228 1224164885 /nfs/dbraw/zinc/16/48/85/1224164885.db2.gz PDLDETRBHKXHDJ-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523089 1224167479 /nfs/dbraw/zinc/16/74/79/1224167479.db2.gz HKFZPSWEQALKPJ-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523089 1224167481 /nfs/dbraw/zinc/16/74/81/1224167481.db2.gz HKFZPSWEQALKPJ-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523089 1224167484 /nfs/dbraw/zinc/16/74/84/1224167484.db2.gz HKFZPSWEQALKPJ-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523089 1224167487 /nfs/dbraw/zinc/16/74/87/1224167487.db2.gz HKFZPSWEQALKPJ-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000550901432 1193819588 /nfs/dbraw/zinc/81/95/88/1193819588.db2.gz HTVKGXUIDQZOTL-RDJZCZTQSA-N 2 1 362.518 0.777 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551024455 1193828366 /nfs/dbraw/zinc/82/83/66/1193828366.db2.gz IQQIIDVZZGSXRQ-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551024455 1193828367 /nfs/dbraw/zinc/82/83/67/1193828367.db2.gz IQQIIDVZZGSXRQ-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000551048542 1193829624 /nfs/dbraw/zinc/82/96/24/1193829624.db2.gz FSSXOPOIXMRSRM-KRWDZBQOSA-N 2 1 373.501 0.887 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000551048542 1193829625 /nfs/dbraw/zinc/82/96/25/1193829625.db2.gz FSSXOPOIXMRSRM-KRWDZBQOSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218550605 1224171422 /nfs/dbraw/zinc/17/14/22/1224171422.db2.gz GNTLEQILLBBXLL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218557505 1224172804 /nfs/dbraw/zinc/17/28/04/1224172804.db2.gz APUACDHGLSSUMF-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218557505 1224172806 /nfs/dbraw/zinc/17/28/06/1224172806.db2.gz APUACDHGLSSUMF-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnon1)C2 ZINC001105660303 1193862913 /nfs/dbraw/zinc/86/29/13/1193862913.db2.gz STXZPKKSPUUXQN-LMSBXDPUSA-N 2 1 365.478 0.487 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000551566884 1193863528 /nfs/dbraw/zinc/86/35/28/1193863528.db2.gz WPDYTLHHQJYDIH-AWEZNQCLSA-N 2 1 362.478 0.606 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000551566884 1193863531 /nfs/dbraw/zinc/86/35/31/1193863531.db2.gz WPDYTLHHQJYDIH-AWEZNQCLSA-N 2 1 362.478 0.606 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]([NH3+])Cc3ccccc3F)ncn2)CC1 ZINC001218572825 1224175109 /nfs/dbraw/zinc/17/51/09/1224175109.db2.gz ONZVIHISNVOXEN-OAHLLOKOSA-N 2 1 358.421 0.876 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152605968 1193890041 /nfs/dbraw/zinc/89/00/41/1193890041.db2.gz SAKONUVUMJZTQH-SJLPKXTDSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152605968 1193890043 /nfs/dbraw/zinc/89/00/43/1193890043.db2.gz SAKONUVUMJZTQH-SJLPKXTDSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001218575841 1224176836 /nfs/dbraw/zinc/17/68/36/1224176836.db2.gz SFFQDERRUUEKCX-DLBZAZTESA-N 2 1 360.458 0.149 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001218575841 1224176840 /nfs/dbraw/zinc/17/68/40/1224176840.db2.gz SFFQDERRUUEKCX-DLBZAZTESA-N 2 1 360.458 0.149 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105667312 1193930554 /nfs/dbraw/zinc/93/05/54/1193930554.db2.gz QIWWYKBDJBOOEE-OHDICMOHSA-N 2 1 368.522 0.040 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537438 1193937688 /nfs/dbraw/zinc/93/76/88/1193937688.db2.gz BMKBTBMTYBYNEG-CVEARBPZSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537438 1193937692 /nfs/dbraw/zinc/93/76/92/1193937692.db2.gz BMKBTBMTYBYNEG-CVEARBPZSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000552539062 1193938164 /nfs/dbraw/zinc/93/81/64/1193938164.db2.gz WLOVDJGOFIMMHI-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552750412 1193950260 /nfs/dbraw/zinc/95/02/60/1193950260.db2.gz XHFSBEGBOOSXAO-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]21 ZINC001218600505 1224180362 /nfs/dbraw/zinc/18/03/62/1224180362.db2.gz LCYKZDIFIBGGCG-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000553353446 1193991030 /nfs/dbraw/zinc/99/10/30/1193991030.db2.gz ABEZJXUJQMPXFU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000553353446 1193991032 /nfs/dbraw/zinc/99/10/32/1193991032.db2.gz ABEZJXUJQMPXFU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000553353446 1193991036 /nfs/dbraw/zinc/99/10/36/1193991036.db2.gz ABEZJXUJQMPXFU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000553353446 1193991044 /nfs/dbraw/zinc/99/10/44/1193991044.db2.gz ABEZJXUJQMPXFU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1C ZINC000553358107 1193992060 /nfs/dbraw/zinc/99/20/60/1193992060.db2.gz AXVINYMMTDXJDM-CYBMUJFWSA-N 2 1 362.478 0.235 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1C ZINC000553358107 1193992067 /nfs/dbraw/zinc/99/20/67/1193992067.db2.gz AXVINYMMTDXJDM-CYBMUJFWSA-N 2 1 362.478 0.235 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641419 1224187797 /nfs/dbraw/zinc/18/77/97/1224187797.db2.gz RGTCXABVJQXAIY-MRXNPFEDSA-N 2 1 354.458 0.830 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641419 1224187803 /nfs/dbraw/zinc/18/78/03/1224187803.db2.gz RGTCXABVJQXAIY-MRXNPFEDSA-N 2 1 354.458 0.830 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000898665608 1194059471 /nfs/dbraw/zinc/05/94/71/1194059471.db2.gz KFLTXMYAMLWUOR-FQEVSTJZSA-N 2 1 373.497 0.980 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191499 1194086065 /nfs/dbraw/zinc/08/60/65/1194086065.db2.gz YUJTXLMZEPNEAC-JXFKEZNVSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001083523455 1194146083 /nfs/dbraw/zinc/14/60/83/1194146083.db2.gz FAMNMCIHOOFAJY-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001083523455 1194146085 /nfs/dbraw/zinc/14/60/85/1194146085.db2.gz FAMNMCIHOOFAJY-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001083523455 1194146087 /nfs/dbraw/zinc/14/60/87/1194146087.db2.gz FAMNMCIHOOFAJY-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP Cc1c(C(=O)NCC[N@@H+](C)CCO)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000899733374 1194195900 /nfs/dbraw/zinc/19/59/00/1194195900.db2.gz BAIZTFBNLCRRQH-UHFFFAOYSA-N 2 1 372.473 0.218 20 0 FCADMP Cc1c(C(=O)NCC[NH+](C)CCO)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000899733374 1194195908 /nfs/dbraw/zinc/19/59/08/1194195908.db2.gz BAIZTFBNLCRRQH-UHFFFAOYSA-N 2 1 372.473 0.218 20 0 FCADMP Cc1c(C(=O)NCC[NH+](C)CCO)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000899733374 1194195916 /nfs/dbraw/zinc/19/59/16/1194195916.db2.gz BAIZTFBNLCRRQH-UHFFFAOYSA-N 2 1 372.473 0.218 20 0 FCADMP Nc1cn(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708768 1224201130 /nfs/dbraw/zinc/20/11/30/1224201130.db2.gz HJIMNNSOVUKYGK-KRWDZBQOSA-N 3 1 372.448 0.746 20 0 FCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070446 1194292527 /nfs/dbraw/zinc/29/25/27/1194292527.db2.gz JUUNICOCKRATNZ-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070446 1194292534 /nfs/dbraw/zinc/29/25/34/1194292534.db2.gz JUUNICOCKRATNZ-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cncc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070446 1194292537 /nfs/dbraw/zinc/29/25/37/1194292537.db2.gz JUUNICOCKRATNZ-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cncc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070446 1194292539 /nfs/dbraw/zinc/29/25/39/1194292539.db2.gz JUUNICOCKRATNZ-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070741 1194292753 /nfs/dbraw/zinc/29/27/53/1194292753.db2.gz ZMANKBWUVYCOMD-BPHHCGJSSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070741 1194292760 /nfs/dbraw/zinc/29/27/60/1194292760.db2.gz ZMANKBWUVYCOMD-BPHHCGJSSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070741 1194292766 /nfs/dbraw/zinc/29/27/66/1194292766.db2.gz ZMANKBWUVYCOMD-BPHHCGJSSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070741 1194292773 /nfs/dbraw/zinc/29/27/73/1194292773.db2.gz ZMANKBWUVYCOMD-BPHHCGJSSA-N 2 1 371.485 0.316 20 0 FCADMP CC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794352 1224208866 /nfs/dbraw/zinc/20/88/66/1224208866.db2.gz HRIHURKQSISFCJ-OHNRDTAOSA-N 2 1 367.490 0.554 20 0 FCADMP CC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794352 1224208879 /nfs/dbraw/zinc/20/88/79/1224208879.db2.gz HRIHURKQSISFCJ-OHNRDTAOSA-N 2 1 367.490 0.554 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206483 1194353553 /nfs/dbraw/zinc/35/35/53/1194353553.db2.gz QJHSBEPAGSCYMC-FUHWJXTLSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206483 1194353556 /nfs/dbraw/zinc/35/35/56/1194353556.db2.gz QJHSBEPAGSCYMC-FUHWJXTLSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)cn1 ZINC001076349673 1194411726 /nfs/dbraw/zinc/41/17/26/1194411726.db2.gz PCWOVFARALYYEQ-XYJFISCASA-N 2 1 361.490 0.628 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1=O ZINC001076467975 1194502853 /nfs/dbraw/zinc/50/28/53/1194502853.db2.gz XYJUTAYDVTZXHL-DLBZAZTESA-N 2 1 356.470 0.514 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461992 1194506445 /nfs/dbraw/zinc/50/64/45/1194506445.db2.gz DSODUZNJEOQJSW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461992 1194506452 /nfs/dbraw/zinc/50/64/52/1194506452.db2.gz DSODUZNJEOQJSW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461992 1194506456 /nfs/dbraw/zinc/50/64/56/1194506456.db2.gz DSODUZNJEOQJSW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461992 1194506459 /nfs/dbraw/zinc/50/64/59/1194506459.db2.gz DSODUZNJEOQJSW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001076574479 1194571318 /nfs/dbraw/zinc/57/13/18/1194571318.db2.gz HUMYGUWBSRGYOE-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001076574479 1194571327 /nfs/dbraw/zinc/57/13/27/1194571327.db2.gz HUMYGUWBSRGYOE-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569228 1194574934 /nfs/dbraw/zinc/57/49/34/1194574934.db2.gz OHOAUMBKMJDFPV-RCCFBDPRSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569228 1194574940 /nfs/dbraw/zinc/57/49/40/1194574940.db2.gz OHOAUMBKMJDFPV-RCCFBDPRSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569228 1194574943 /nfs/dbraw/zinc/57/49/43/1194574943.db2.gz OHOAUMBKMJDFPV-RCCFBDPRSA-N 2 1 356.470 0.770 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588777 1194584139 /nfs/dbraw/zinc/58/41/39/1194584139.db2.gz FIQVPGIRVDGXMH-JQHSSLGASA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588777 1194584144 /nfs/dbraw/zinc/58/41/44/1194584144.db2.gz FIQVPGIRVDGXMH-JQHSSLGASA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588777 1194584150 /nfs/dbraw/zinc/58/41/50/1194584150.db2.gz FIQVPGIRVDGXMH-JQHSSLGASA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588777 1194584155 /nfs/dbraw/zinc/58/41/55/1194584155.db2.gz FIQVPGIRVDGXMH-JQHSSLGASA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]21 ZINC001218813813 1224228452 /nfs/dbraw/zinc/22/84/52/1224228452.db2.gz FCVFTWWLRCFWGP-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001076745486 1194976756 /nfs/dbraw/zinc/97/67/56/1194976756.db2.gz HPNRSEKZELIKRY-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805307 1195025684 /nfs/dbraw/zinc/02/56/84/1195025684.db2.gz BIDZPWOSPFDLFZ-CEXWTWQISA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805307 1195025690 /nfs/dbraw/zinc/02/56/90/1195025690.db2.gz BIDZPWOSPFDLFZ-CEXWTWQISA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805307 1195025696 /nfs/dbraw/zinc/02/56/96/1195025696.db2.gz BIDZPWOSPFDLFZ-CEXWTWQISA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076805307 1195025702 /nfs/dbraw/zinc/02/57/02/1195025702.db2.gz BIDZPWOSPFDLFZ-CEXWTWQISA-N 2 1 361.486 0.883 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001218919720 1224259223 /nfs/dbraw/zinc/25/92/23/1224259223.db2.gz YFTGMGLDPPWEPU-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001218919720 1224259232 /nfs/dbraw/zinc/25/92/32/1224259232.db2.gz YFTGMGLDPPWEPU-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001218919720 1224259240 /nfs/dbraw/zinc/25/92/40/1224259240.db2.gz YFTGMGLDPPWEPU-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001218919720 1224259247 /nfs/dbraw/zinc/25/92/47/1224259247.db2.gz YFTGMGLDPPWEPU-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001076987349 1195116868 /nfs/dbraw/zinc/11/68/68/1195116868.db2.gz MYTQRYUEPXKZDX-KZNAEPCWSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001076987349 1195116875 /nfs/dbraw/zinc/11/68/75/1195116875.db2.gz MYTQRYUEPXKZDX-KZNAEPCWSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001076987349 1195116887 /nfs/dbraw/zinc/11/68/87/1195116887.db2.gz MYTQRYUEPXKZDX-KZNAEPCWSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001076987349 1195116900 /nfs/dbraw/zinc/11/69/00/1195116900.db2.gz MYTQRYUEPXKZDX-KZNAEPCWSA-N 2 1 363.506 0.480 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077003086 1195138772 /nfs/dbraw/zinc/13/87/72/1195138772.db2.gz RPLPMJCSVQQBCK-ZTFGCOKTSA-N 2 1 371.441 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077003086 1195138776 /nfs/dbraw/zinc/13/87/76/1195138776.db2.gz RPLPMJCSVQQBCK-ZTFGCOKTSA-N 2 1 371.441 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007196 1195140968 /nfs/dbraw/zinc/14/09/68/1195140968.db2.gz CTONWBQLNSOTIA-GUDVDZBRSA-N 2 1 359.470 0.182 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007725 1195143150 /nfs/dbraw/zinc/14/31/50/1195143150.db2.gz ZKGVVGYLLDEDAK-QXAKKESOSA-N 2 1 361.461 0.871 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007725 1195143152 /nfs/dbraw/zinc/14/31/52/1195143152.db2.gz ZKGVVGYLLDEDAK-QXAKKESOSA-N 2 1 361.461 0.871 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001077023822 1195160164 /nfs/dbraw/zinc/16/01/64/1195160164.db2.gz USFPEIKNYBIZPP-KLICCBINSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077023822 1195160168 /nfs/dbraw/zinc/16/01/68/1195160168.db2.gz USFPEIKNYBIZPP-KLICCBINSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077023822 1195160171 /nfs/dbraw/zinc/16/01/71/1195160171.db2.gz USFPEIKNYBIZPP-KLICCBINSA-N 2 1 360.502 0.754 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127669 1195241727 /nfs/dbraw/zinc/24/17/27/1195241727.db2.gz DUKOTVTWUUCHKB-RCCFBDPRSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127669 1195241733 /nfs/dbraw/zinc/24/17/33/1195241733.db2.gz DUKOTVTWUUCHKB-RCCFBDPRSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127669 1195241737 /nfs/dbraw/zinc/24/17/37/1195241737.db2.gz DUKOTVTWUUCHKB-RCCFBDPRSA-N 2 1 363.506 0.102 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077128814 1195244674 /nfs/dbraw/zinc/24/46/74/1195244674.db2.gz GFGTVILLFWBFHM-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128814 1195244678 /nfs/dbraw/zinc/24/46/78/1195244678.db2.gz GFGTVILLFWBFHM-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001077128814 1195244682 /nfs/dbraw/zinc/24/46/82/1195244682.db2.gz GFGTVILLFWBFHM-CEXWTWQISA-N 2 1 365.518 0.981 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)c1 ZINC001083565311 1195262159 /nfs/dbraw/zinc/26/21/59/1195262159.db2.gz LTXRKPIQRXVOQY-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)c1 ZINC001083565311 1195262163 /nfs/dbraw/zinc/26/21/63/1195262163.db2.gz LTXRKPIQRXVOQY-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)c1 ZINC001083565311 1195262170 /nfs/dbraw/zinc/26/21/70/1195262170.db2.gz LTXRKPIQRXVOQY-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)c1 ZINC001083565311 1195262174 /nfs/dbraw/zinc/26/21/74/1195262174.db2.gz LTXRKPIQRXVOQY-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(F)cc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566731 1195291635 /nfs/dbraw/zinc/29/16/35/1195291635.db2.gz YQRZVUCFUJEEAI-NKGKWGDASA-N 2 1 365.449 0.515 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)n1 ZINC001077232363 1195334814 /nfs/dbraw/zinc/33/48/14/1195334814.db2.gz JWIJCFMTCAXETK-HZPDHXFCSA-N 2 1 370.413 0.662 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965232 1224273890 /nfs/dbraw/zinc/27/38/90/1224273890.db2.gz HYRNBSWYJRHCOW-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)n1 ZINC001077233197 1195342374 /nfs/dbraw/zinc/34/23/74/1195342374.db2.gz OCFKLHQCGQDGJF-QZTJIDSGSA-N 2 1 368.441 0.851 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)n1 ZINC001077233197 1195342379 /nfs/dbraw/zinc/34/23/79/1195342379.db2.gz OCFKLHQCGQDGJF-QZTJIDSGSA-N 2 1 368.441 0.851 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001218970340 1224274791 /nfs/dbraw/zinc/27/47/91/1224274791.db2.gz GXRHNAKSRUZEFG-ZWKOTPCHSA-N 2 1 369.506 0.293 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001218970340 1224274795 /nfs/dbraw/zinc/27/47/95/1224274795.db2.gz GXRHNAKSRUZEFG-ZWKOTPCHSA-N 2 1 369.506 0.293 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300052 1195400165 /nfs/dbraw/zinc/40/01/65/1195400165.db2.gz VHGJNOJIXANLAU-KZNAEPCWSA-N 2 1 359.470 0.510 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300052 1195400172 /nfs/dbraw/zinc/40/01/72/1195400172.db2.gz VHGJNOJIXANLAU-KZNAEPCWSA-N 2 1 359.470 0.510 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077311991 1195414258 /nfs/dbraw/zinc/41/42/58/1195414258.db2.gz IJJAJYBJGLTTAJ-QZTJIDSGSA-N 2 1 358.442 0.926 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001077396147 1195494755 /nfs/dbraw/zinc/49/47/55/1195494755.db2.gz QJCAGTVBWIRKQO-BRWVUGGUSA-N 2 1 358.442 0.924 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002967 1224284521 /nfs/dbraw/zinc/28/45/21/1224284521.db2.gz MCGDZZNNJXXPAR-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002967 1224284529 /nfs/dbraw/zinc/28/45/29/1224284529.db2.gz MCGDZZNNJXXPAR-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418134 1195518190 /nfs/dbraw/zinc/51/81/90/1195518190.db2.gz KCYXZAAGZJYHEF-MBTARNRYSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418134 1195518204 /nfs/dbraw/zinc/51/82/04/1195518204.db2.gz KCYXZAAGZJYHEF-MBTARNRYSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418134 1195518214 /nfs/dbraw/zinc/51/82/14/1195518214.db2.gz KCYXZAAGZJYHEF-MBTARNRYSA-N 2 1 371.481 0.520 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]21 ZINC001219004985 1224287153 /nfs/dbraw/zinc/28/71/53/1224287153.db2.gz YUNIGSQHOLQBDH-ZWKOTPCHSA-N 2 1 363.506 0.606 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]21 ZINC001219004985 1224287160 /nfs/dbraw/zinc/28/71/60/1224287160.db2.gz YUNIGSQHOLQBDH-ZWKOTPCHSA-N 2 1 363.506 0.606 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]21 ZINC001219004985 1224287169 /nfs/dbraw/zinc/28/71/69/1224287169.db2.gz YUNIGSQHOLQBDH-ZWKOTPCHSA-N 2 1 363.506 0.606 20 0 FCADMP COc1cc(OC)nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000906656452 1195642649 /nfs/dbraw/zinc/64/26/49/1195642649.db2.gz SAHDBUCMOPIGFK-AWEZNQCLSA-N 2 1 363.462 0.734 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663411 1195643126 /nfs/dbraw/zinc/64/31/26/1195643126.db2.gz DZTFGCXIPLKRIB-UHFFFAOYSA-N 2 1 362.474 0.901 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC2([NH3+])CC2)C[C@@H](C)O1 ZINC000906697672 1195646117 /nfs/dbraw/zinc/64/61/17/1195646117.db2.gz OZLVCGVNJJSHFN-ZIAGYGMSSA-N 2 1 360.458 0.842 20 0 FCADMP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906789260 1195666244 /nfs/dbraw/zinc/66/62/44/1195666244.db2.gz GTGHMKINKUXMED-GOSISDBHSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906789260 1195666246 /nfs/dbraw/zinc/66/62/46/1195666246.db2.gz GTGHMKINKUXMED-GOSISDBHSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906789260 1195666248 /nfs/dbraw/zinc/66/62/48/1195666248.db2.gz GTGHMKINKUXMED-GOSISDBHSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906789261 1195666601 /nfs/dbraw/zinc/66/66/01/1195666601.db2.gz GTGHMKINKUXMED-SFHVURJKSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906789261 1195666606 /nfs/dbraw/zinc/66/66/06/1195666606.db2.gz GTGHMKINKUXMED-SFHVURJKSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906789261 1195666609 /nfs/dbraw/zinc/66/66/09/1195666609.db2.gz GTGHMKINKUXMED-SFHVURJKSA-N 2 1 373.545 0.807 20 0 FCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607450 1195685639 /nfs/dbraw/zinc/68/56/39/1195685639.db2.gz YUYPILWKEOADCP-ZACQAIPSSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000991123741 1195729370 /nfs/dbraw/zinc/72/93/70/1195729370.db2.gz ZJZLQUUJFAFKJX-GZOSKZMVSA-N 2 1 355.446 0.918 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000910958032 1195868906 /nfs/dbraw/zinc/86/89/06/1195868906.db2.gz LNKHYUOEXWQNSX-XHSDSOJGSA-N 2 1 360.458 0.601 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000911138550 1195895080 /nfs/dbraw/zinc/89/50/80/1195895080.db2.gz RQMXMPUGSDLMDJ-UHFFFAOYSA-N 2 1 369.469 0.827 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000911163370 1195900876 /nfs/dbraw/zinc/90/08/76/1195900876.db2.gz XDKJFDKSGPTLLN-INIZCTEOSA-N 2 1 358.486 0.748 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000911216769 1195916669 /nfs/dbraw/zinc/91/66/69/1195916669.db2.gz URXVEGAHHAZJLA-XYVMCAHJSA-N 2 1 358.486 0.961 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258024 1195927590 /nfs/dbraw/zinc/92/75/90/1195927590.db2.gz LRAAYDDRNLOWOZ-IXDOHACOSA-N 2 1 358.486 0.964 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001219054671 1224325304 /nfs/dbraw/zinc/32/53/04/1224325304.db2.gz JDYWMVWTXKZEOE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001219054671 1224325314 /nfs/dbraw/zinc/32/53/14/1224325314.db2.gz JDYWMVWTXKZEOE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001219054671 1224325319 /nfs/dbraw/zinc/32/53/19/1224325319.db2.gz JDYWMVWTXKZEOE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@H](C(=O)N3CC[NH2+]CC3)C1)CC2 ZINC000911702481 1196308002 /nfs/dbraw/zinc/30/80/02/1196308002.db2.gz LAZRPAZLKKJQCG-JKSUJKDBSA-N 2 1 359.474 0.424 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001077444404 1196411439 /nfs/dbraw/zinc/41/14/39/1196411439.db2.gz WMUOVTUTEDXEGZ-QXAKKESOSA-N 2 1 363.502 0.991 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000592472072 1196563823 /nfs/dbraw/zinc/56/38/23/1196563823.db2.gz HXFKEAOPYQZYBG-HNNXBMFYSA-N 2 1 362.474 0.315 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000592472072 1196563826 /nfs/dbraw/zinc/56/38/26/1196563826.db2.gz HXFKEAOPYQZYBG-HNNXBMFYSA-N 2 1 362.474 0.315 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592564650 1196569463 /nfs/dbraw/zinc/56/94/63/1196569463.db2.gz NQXYOBVENXSZIV-KBPBESRZSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592564650 1196569466 /nfs/dbraw/zinc/56/94/66/1196569466.db2.gz NQXYOBVENXSZIV-KBPBESRZSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000592964543 1196596943 /nfs/dbraw/zinc/59/69/43/1196596943.db2.gz RHFIGBPGPAWEJA-IRXDYDNUSA-N 2 1 360.458 0.657 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592959828 1196602093 /nfs/dbraw/zinc/60/20/93/1196602093.db2.gz WSIIURMQLWGWCU-UONOGXRCSA-N 2 1 362.478 0.036 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236490 1224396131 /nfs/dbraw/zinc/39/61/31/1224396131.db2.gz VGASJMFBWHAIIG-QAPCUYQASA-N 2 1 360.506 0.303 20 0 FCADMP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245523 1197780288 /nfs/dbraw/zinc/78/02/88/1197780288.db2.gz CWKHAYMNNRDRCZ-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279429 1197786212 /nfs/dbraw/zinc/78/62/12/1197786212.db2.gz JEZFIFIOTGRJPA-LUJDSPJVSA-N 2 1 371.485 0.857 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279429 1197786219 /nfs/dbraw/zinc/78/62/19/1197786219.db2.gz JEZFIFIOTGRJPA-LUJDSPJVSA-N 2 1 371.485 0.857 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106272187 1197811989 /nfs/dbraw/zinc/81/19/89/1197811989.db2.gz UCUTVFYDVBEQPS-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085394611 1197863435 /nfs/dbraw/zinc/86/34/35/1197863435.db2.gz UFMXUSVABJWFKP-ARFHVFGLSA-N 2 1 364.490 0.494 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855484 1197893882 /nfs/dbraw/zinc/89/38/82/1197893882.db2.gz FKBSZSNNNJARLH-GGPKGHCWSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855484 1197893885 /nfs/dbraw/zinc/89/38/85/1197893885.db2.gz FKBSZSNNNJARLH-GGPKGHCWSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855484 1197893889 /nfs/dbraw/zinc/89/38/89/1197893889.db2.gz FKBSZSNNNJARLH-GGPKGHCWSA-N 2 1 359.470 0.603 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085432771 1197899349 /nfs/dbraw/zinc/89/93/49/1197899349.db2.gz PFWXLQIECDHCMR-ZACQAIPSSA-N 2 1 365.522 0.903 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432519 1197920131 /nfs/dbraw/zinc/92/01/31/1197920131.db2.gz VRKHPROXGJYJGF-RHSMWYFYSA-N 2 1 365.478 0.028 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC001106434034 1197923767 /nfs/dbraw/zinc/92/37/67/1197923767.db2.gz YIPXKZUHNFPFOX-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001106599428 1198029459 /nfs/dbraw/zinc/02/94/59/1198029459.db2.gz HVLAXYSYPRQYPR-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000741805337 1198127681 /nfs/dbraw/zinc/12/76/81/1198127681.db2.gz GIPXNYYCWFQYIZ-GOSISDBHSA-N 3 1 368.566 0.859 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)CN2CCCC2)CC1 ZINC000741805337 1198127696 /nfs/dbraw/zinc/12/76/96/1198127696.db2.gz GIPXNYYCWFQYIZ-GOSISDBHSA-N 2 1 368.566 0.859 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@@H+](CCO)C[C@H]3CCOC3)CC2)O1 ZINC001098404232 1198130760 /nfs/dbraw/zinc/13/07/60/1198130760.db2.gz JBDFNPYXPHKZCK-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)C[C@H]3CCOC3)CC2)O1 ZINC001098404232 1198130764 /nfs/dbraw/zinc/13/07/64/1198130764.db2.gz JBDFNPYXPHKZCK-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)C[C@H]3CCOC3)CC2)O1 ZINC001098404232 1198130771 /nfs/dbraw/zinc/13/07/71/1198130771.db2.gz JBDFNPYXPHKZCK-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](CCO)C[C@H]3CCOC3)CC2)O1 ZINC001098404232 1198130781 /nfs/dbraw/zinc/13/07/81/1198130781.db2.gz JBDFNPYXPHKZCK-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](CCO)C[C@H]3CCOC3)CC2)O1 ZINC001098404232 1198130790 /nfs/dbraw/zinc/13/07/90/1198130790.db2.gz JBDFNPYXPHKZCK-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001086089881 1198149869 /nfs/dbraw/zinc/14/98/69/1198149869.db2.gz VYFYTWSOZPEYHV-LJISPDSOSA-N 2 1 364.494 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001086089881 1198149875 /nfs/dbraw/zinc/14/98/75/1198149875.db2.gz VYFYTWSOZPEYHV-LJISPDSOSA-N 2 1 364.494 0.850 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC001086090479 1198153766 /nfs/dbraw/zinc/15/37/66/1198153766.db2.gz AZKDPSMFKCVULE-XHHISWJOSA-N 2 1 362.518 0.964 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cn1 ZINC000746045465 1198961474 /nfs/dbraw/zinc/96/14/74/1198961474.db2.gz HDNKLHAKFICSAC-CYBMUJFWSA-N 2 1 356.430 0.972 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cn1 ZINC000746045465 1198961480 /nfs/dbraw/zinc/96/14/80/1198961480.db2.gz HDNKLHAKFICSAC-CYBMUJFWSA-N 2 1 356.430 0.972 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169137558 1199047823 /nfs/dbraw/zinc/04/78/23/1199047823.db2.gz CSQJJZAVOWKEGD-PIIMJCKOSA-N 2 1 372.513 0.962 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169137558 1199047839 /nfs/dbraw/zinc/04/78/39/1199047839.db2.gz CSQJJZAVOWKEGD-PIIMJCKOSA-N 2 1 372.513 0.962 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169137558 1199047845 /nfs/dbraw/zinc/04/78/45/1199047845.db2.gz CSQJJZAVOWKEGD-PIIMJCKOSA-N 2 1 372.513 0.962 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134634 1199048822 /nfs/dbraw/zinc/04/88/22/1199048822.db2.gz WASGXXKIXLCEII-CABLIKTCSA-N 2 1 363.502 0.807 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134634 1199048827 /nfs/dbraw/zinc/04/88/27/1199048827.db2.gz WASGXXKIXLCEII-CABLIKTCSA-N 2 1 363.502 0.807 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134634 1199048837 /nfs/dbraw/zinc/04/88/37/1199048837.db2.gz WASGXXKIXLCEII-CABLIKTCSA-N 2 1 363.502 0.807 20 0 FCADMP CC(=O)N1CC[C@H](N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)C1 ZINC001169548763 1199071790 /nfs/dbraw/zinc/07/17/90/1199071790.db2.gz HQEIZCOWHPIXRD-KRWDZBQOSA-N 2 1 361.490 0.910 20 0 FCADMP CC(=O)N1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001169545011 1199074921 /nfs/dbraw/zinc/07/49/21/1199074921.db2.gz JHENPNIHPOSTPY-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP CC(=O)N1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001169545011 1199074927 /nfs/dbraw/zinc/07/49/27/1199074927.db2.gz JHENPNIHPOSTPY-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP N[C@@H](CC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726994 1224579353 /nfs/dbraw/zinc/57/93/53/1224579353.db2.gz UBRFHTZMBOBELF-ROUUACIJSA-N 3 1 359.518 0.281 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726994 1224579361 /nfs/dbraw/zinc/57/93/61/1224579361.db2.gz UBRFHTZMBOBELF-ROUUACIJSA-N 4 1 359.518 0.281 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726994 1224579366 /nfs/dbraw/zinc/57/93/66/1224579366.db2.gz UBRFHTZMBOBELF-ROUUACIJSA-N 4 1 359.518 0.281 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737180 1224586179 /nfs/dbraw/zinc/58/61/79/1224586179.db2.gz QFGUMKGKCZZQNY-QZTJIDSGSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737180 1224586185 /nfs/dbraw/zinc/58/61/85/1224586185.db2.gz QFGUMKGKCZZQNY-QZTJIDSGSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001109294194 1200152029 /nfs/dbraw/zinc/15/20/29/1200152029.db2.gz NBOHJXWGZXSROW-BDXSIMOUSA-N 2 1 360.502 0.576 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001109294194 1200152032 /nfs/dbraw/zinc/15/20/32/1200152032.db2.gz NBOHJXWGZXSROW-BDXSIMOUSA-N 2 1 360.502 0.576 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109361446 1200205166 /nfs/dbraw/zinc/20/51/66/1200205166.db2.gz WPEUYKIOAIMEAB-QZWWFDLISA-N 2 1 368.497 0.914 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001109361446 1200205174 /nfs/dbraw/zinc/20/51/74/1200205174.db2.gz WPEUYKIOAIMEAB-QZWWFDLISA-N 2 1 368.497 0.914 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001109419483 1200257806 /nfs/dbraw/zinc/25/78/06/1200257806.db2.gz RUMNGCUUCIVIDC-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109419483 1200257809 /nfs/dbraw/zinc/25/78/09/1200257809.db2.gz RUMNGCUUCIVIDC-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109419483 1200257821 /nfs/dbraw/zinc/25/78/21/1200257821.db2.gz RUMNGCUUCIVIDC-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219765288 1224601264 /nfs/dbraw/zinc/60/12/64/1224601264.db2.gz YNOJBLZQPQTRQL-JTDSTZFVSA-N 2 1 370.497 0.479 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219765288 1224601270 /nfs/dbraw/zinc/60/12/70/1224601270.db2.gz YNOJBLZQPQTRQL-JTDSTZFVSA-N 2 1 370.497 0.479 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219765903 1224602674 /nfs/dbraw/zinc/60/26/74/1224602674.db2.gz HAUTUJJDYAQGES-IGGJEDBVSA-N 2 1 369.513 0.122 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219765903 1224602677 /nfs/dbraw/zinc/60/26/77/1224602677.db2.gz HAUTUJJDYAQGES-IGGJEDBVSA-N 2 1 369.513 0.122 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109464425 1200304846 /nfs/dbraw/zinc/30/48/46/1200304846.db2.gz ZWZKTDMZWULQSO-IKGGRYGDSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109464425 1200304858 /nfs/dbraw/zinc/30/48/58/1200304858.db2.gz ZWZKTDMZWULQSO-IKGGRYGDSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001109464425 1200304868 /nfs/dbraw/zinc/30/48/68/1200304868.db2.gz ZWZKTDMZWULQSO-IKGGRYGDSA-N 2 1 368.522 0.591 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469650 1200310974 /nfs/dbraw/zinc/31/09/74/1200310974.db2.gz BXCWYULNJBLUQI-BDXSIMOUSA-N 2 1 362.474 0.637 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672477 1200460065 /nfs/dbraw/zinc/46/00/65/1200460065.db2.gz GYAFXNVJLBGDBJ-KBXIAJHMSA-N 2 1 367.494 0.282 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672477 1200460068 /nfs/dbraw/zinc/46/00/68/1200460068.db2.gz GYAFXNVJLBGDBJ-KBXIAJHMSA-N 2 1 367.494 0.282 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724356 1200483371 /nfs/dbraw/zinc/48/33/71/1200483371.db2.gz OHSNCDDWCDCTIQ-QPSCCSFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724356 1200483376 /nfs/dbraw/zinc/48/33/76/1200483376.db2.gz OHSNCDDWCDCTIQ-QPSCCSFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724356 1200483382 /nfs/dbraw/zinc/48/33/82/1200483382.db2.gz OHSNCDDWCDCTIQ-QPSCCSFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724356 1200483389 /nfs/dbraw/zinc/48/33/89/1200483389.db2.gz OHSNCDDWCDCTIQ-QPSCCSFWSA-N 2 1 364.490 0.491 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794543 1224615679 /nfs/dbraw/zinc/61/56/79/1224615679.db2.gz DHTRCHQAFBZGTQ-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794543 1224615681 /nfs/dbraw/zinc/61/56/81/1224615681.db2.gz DHTRCHQAFBZGTQ-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794543 1224615684 /nfs/dbraw/zinc/61/56/84/1224615684.db2.gz DHTRCHQAFBZGTQ-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219796169 1224616524 /nfs/dbraw/zinc/61/65/24/1224616524.db2.gz OYMJTYXZDQREIH-APWZRJJASA-N 2 1 363.550 0.393 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796800 1224617025 /nfs/dbraw/zinc/61/70/25/1224617025.db2.gz QQKGGZPJVAFYPC-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796800 1224617030 /nfs/dbraw/zinc/61/70/30/1224617030.db2.gz QQKGGZPJVAFYPC-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796800 1224617034 /nfs/dbraw/zinc/61/70/34/1224617034.db2.gz QQKGGZPJVAFYPC-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796800 1224617041 /nfs/dbraw/zinc/61/70/41/1224617041.db2.gz QQKGGZPJVAFYPC-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109847705 1200559302 /nfs/dbraw/zinc/55/93/02/1200559302.db2.gz CTNOPZVTVSGBQY-QZWWFDLISA-N 2 1 374.489 0.209 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001109847705 1200559311 /nfs/dbraw/zinc/55/93/11/1200559311.db2.gz CTNOPZVTVSGBQY-QZWWFDLISA-N 2 1 374.489 0.209 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001219799903 1224619522 /nfs/dbraw/zinc/61/95/22/1224619522.db2.gz BVQWOTQCJZYODD-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O ZINC001219799903 1224619524 /nfs/dbraw/zinc/61/95/24/1224619524.db2.gz BVQWOTQCJZYODD-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800185 1224620099 /nfs/dbraw/zinc/62/00/99/1224620099.db2.gz HMXNWFBYUOCRGF-RTBURBONSA-N 2 1 372.513 0.735 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800185 1224620107 /nfs/dbraw/zinc/62/01/07/1224620107.db2.gz HMXNWFBYUOCRGF-RTBURBONSA-N 2 1 372.513 0.735 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219804213 1224624520 /nfs/dbraw/zinc/62/45/20/1224624520.db2.gz PQINDGYUNDIZOQ-CEXWTWQISA-N 2 1 361.486 0.705 20 0 FCADMP C[NH2+][C@H](C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H](C)OC(C)(C)C ZINC001219806081 1224625715 /nfs/dbraw/zinc/62/57/15/1224625715.db2.gz JEDVHCFRWRIRRB-WBMJQRKESA-N 2 1 365.478 0.144 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110019236 1200709430 /nfs/dbraw/zinc/70/94/30/1200709430.db2.gz MFQYZZHDMCFRMM-BDXSIMOUSA-N 2 1 363.506 0.697 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@@H]1O)C1CCC1 ZINC001219814146 1224630469 /nfs/dbraw/zinc/63/04/69/1224630469.db2.gz UZNFKRGFVGZDAT-MSOLQXFVSA-N 2 1 365.449 0.464 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109269 1200863195 /nfs/dbraw/zinc/86/31/95/1200863195.db2.gz RDFKFQBRYRXYJV-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787132438 1200867334 /nfs/dbraw/zinc/86/73/34/1200867334.db2.gz YXXOGVGEONCIOX-NVXWUHKLSA-N 2 1 364.490 0.099 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829831 1224640906 /nfs/dbraw/zinc/64/09/06/1224640906.db2.gz FZJDFDYSDAYHBE-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829831 1224640912 /nfs/dbraw/zinc/64/09/12/1224640912.db2.gz FZJDFDYSDAYHBE-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829831 1224640916 /nfs/dbraw/zinc/64/09/16/1224640916.db2.gz FZJDFDYSDAYHBE-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000788460780 1200961507 /nfs/dbraw/zinc/96/15/07/1200961507.db2.gz PZJJKIHRBQMURI-ROUUACIJSA-N 2 1 374.485 0.344 20 0 FCADMP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000790273232 1201064987 /nfs/dbraw/zinc/06/49/87/1201064987.db2.gz CRKGYZBQSSBUTR-PMPSAXMXSA-N 2 1 359.474 0.869 20 0 FCADMP C[C@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1CC(C)(C)O ZINC000790385945 1201070937 /nfs/dbraw/zinc/07/09/37/1201070937.db2.gz OMOIXEBICZAUDV-HNAYVOBHSA-N 2 1 366.506 0.638 20 0 FCADMP [NH3+]C1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CCN(Cc2ccccc2)CC1 ZINC001219848467 1224653047 /nfs/dbraw/zinc/65/30/47/1224653047.db2.gz YYKVBTZUNALXRU-OKZBNKHCSA-N 2 1 358.486 0.616 20 0 FCADMP NC(=O)C1(O)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001170229911 1201203544 /nfs/dbraw/zinc/20/35/44/1201203544.db2.gz BOLRBSMDMUTDRF-UHFFFAOYSA-N 2 1 374.485 0.211 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793291723 1201232464 /nfs/dbraw/zinc/23/24/64/1201232464.db2.gz UTXRHEMCZVRBAF-HUUCEWRRSA-N 2 1 358.446 0.816 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793291723 1201232469 /nfs/dbraw/zinc/23/24/69/1201232469.db2.gz UTXRHEMCZVRBAF-HUUCEWRRSA-N 2 1 358.446 0.816 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)NC(C)C)C[C@H]32)CC[N@H+]1C ZINC001114304776 1201294219 /nfs/dbraw/zinc/29/42/19/1201294219.db2.gz YLSPMLQJUNYVSY-FIDHJVLJSA-N 2 1 365.522 0.471 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001114304776 1201294223 /nfs/dbraw/zinc/29/42/23/1201294223.db2.gz YLSPMLQJUNYVSY-FIDHJVLJSA-N 2 1 365.522 0.471 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001114304776 1201294228 /nfs/dbraw/zinc/29/42/28/1201294228.db2.gz YLSPMLQJUNYVSY-FIDHJVLJSA-N 2 1 365.522 0.471 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407920 1201299333 /nfs/dbraw/zinc/29/93/33/1201299333.db2.gz XXBBCAIXWTTXBY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407920 1201299343 /nfs/dbraw/zinc/29/93/43/1201299343.db2.gz XXBBCAIXWTTXBY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129407920 1201299345 /nfs/dbraw/zinc/29/93/45/1201299345.db2.gz XXBBCAIXWTTXBY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453510 1201311077 /nfs/dbraw/zinc/31/10/77/1201311077.db2.gz AVJGMNIIRBMKSG-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129465389 1201318725 /nfs/dbraw/zinc/31/87/25/1201318725.db2.gz HYDCKUMIBFHJIE-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129465389 1201318730 /nfs/dbraw/zinc/31/87/30/1201318730.db2.gz HYDCKUMIBFHJIE-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129465389 1201318736 /nfs/dbraw/zinc/31/87/36/1201318736.db2.gz HYDCKUMIBFHJIE-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129465389 1201318742 /nfs/dbraw/zinc/31/87/42/1201318742.db2.gz HYDCKUMIBFHJIE-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001219877795 1224667893 /nfs/dbraw/zinc/66/78/93/1224667893.db2.gz QZYWCEGVWXSNEX-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129932038 1201434812 /nfs/dbraw/zinc/43/48/12/1201434812.db2.gz KAQDLEUXHKCAKC-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)o1 ZINC001129992107 1201470728 /nfs/dbraw/zinc/47/07/28/1201470728.db2.gz LHBKYOWOTKTAKU-CABCVRRESA-N 2 1 361.450 0.376 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012140 1201471185 /nfs/dbraw/zinc/47/11/85/1201471185.db2.gz QVCKVRIZIZEYMC-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130047749 1201486270 /nfs/dbraw/zinc/48/62/70/1201486270.db2.gz QTPGLYCVRAGUMU-CABCVRRESA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130081526 1201492696 /nfs/dbraw/zinc/49/26/96/1201492696.db2.gz SRTPHSHXWXXUAR-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130081526 1201492698 /nfs/dbraw/zinc/49/26/98/1201492698.db2.gz SRTPHSHXWXXUAR-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086269 1201494105 /nfs/dbraw/zinc/49/41/05/1201494105.db2.gz SWIOPNGDXOUVKM-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910725 1224678048 /nfs/dbraw/zinc/67/80/48/1224678048.db2.gz PVMTXLPTXNGUDA-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910725 1224678050 /nfs/dbraw/zinc/67/80/50/1224678050.db2.gz PVMTXLPTXNGUDA-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910703 1224678167 /nfs/dbraw/zinc/67/81/67/1224678167.db2.gz PDMGUNYOCLQQJK-JQHSSLGASA-N 2 1 362.474 0.496 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130122970 1201510938 /nfs/dbraw/zinc/51/09/38/1201510938.db2.gz FLQCQKBQUNSNKH-OLZOCXBDSA-N 2 1 371.367 0.777 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130136972 1201514222 /nfs/dbraw/zinc/51/42/22/1201514222.db2.gz BVHVVIQJJBJGGM-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919640 1224680389 /nfs/dbraw/zinc/68/03/89/1224680389.db2.gz HAWDEUVXWYJERL-KSZLIROESA-N 2 1 362.474 0.638 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCCOc2ccccc2)O1 ZINC001130184251 1201536512 /nfs/dbraw/zinc/53/65/12/1201536512.db2.gz IDZYDJQEOAVPAN-SJLPKXTDSA-N 2 1 365.474 0.507 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCCOc2ccccc2)O1 ZINC001130184251 1201536518 /nfs/dbraw/zinc/53/65/18/1201536518.db2.gz IDZYDJQEOAVPAN-SJLPKXTDSA-N 2 1 365.474 0.507 20 0 FCADMP CC(C)CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184712 1201537037 /nfs/dbraw/zinc/53/70/37/1201537037.db2.gz XLDAGSPAFFQFHH-BRWVUGGUSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184712 1201537043 /nfs/dbraw/zinc/53/70/43/1201537043.db2.gz XLDAGSPAFFQFHH-BRWVUGGUSA-N 2 1 370.538 0.742 20 0 FCADMP Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184515 1201537315 /nfs/dbraw/zinc/53/73/15/1201537315.db2.gz TVPHIXXNKZOIMF-JFIYKMOQSA-N 2 1 365.474 0.160 20 0 FCADMP Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184515 1201537318 /nfs/dbraw/zinc/53/73/18/1201537318.db2.gz TVPHIXXNKZOIMF-JFIYKMOQSA-N 2 1 365.474 0.160 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130215699 1201546304 /nfs/dbraw/zinc/54/63/04/1201546304.db2.gz CFVWNTWWNYPOME-DZKIICNBSA-N 2 1 366.510 0.879 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001130221114 1201550722 /nfs/dbraw/zinc/55/07/22/1201550722.db2.gz VLECJPKLYAVVJZ-KBPBESRZSA-N 2 1 364.494 0.777 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001130221074 1201550889 /nfs/dbraw/zinc/55/08/89/1201550889.db2.gz SKVZASWCTORFRQ-KBPBESRZSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001130237869 1201559869 /nfs/dbraw/zinc/55/98/69/1201559869.db2.gz HITSRUSCWISRCH-KKUMJFAQSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001130237869 1201559872 /nfs/dbraw/zinc/55/98/72/1201559872.db2.gz HITSRUSCWISRCH-KKUMJFAQSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001130237869 1201559875 /nfs/dbraw/zinc/55/98/75/1201559875.db2.gz HITSRUSCWISRCH-KKUMJFAQSA-N 2 1 364.494 0.776 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130247237 1201567883 /nfs/dbraw/zinc/56/78/83/1201567883.db2.gz ZRUHOFSSBJWFOE-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001130247237 1201567888 /nfs/dbraw/zinc/56/78/88/1201567888.db2.gz ZRUHOFSSBJWFOE-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001130247237 1201567892 /nfs/dbraw/zinc/56/78/92/1201567892.db2.gz ZRUHOFSSBJWFOE-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130247237 1201567897 /nfs/dbraw/zinc/56/78/97/1201567897.db2.gz ZRUHOFSSBJWFOE-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130247237 1201567900 /nfs/dbraw/zinc/56/79/00/1201567900.db2.gz ZRUHOFSSBJWFOE-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130304871 1201581215 /nfs/dbraw/zinc/58/12/15/1201581215.db2.gz DKCRUJLIDIOAOP-OGWOLHLISA-N 2 1 368.522 0.184 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130307305 1201582026 /nfs/dbraw/zinc/58/20/26/1201582026.db2.gz OUOFGJNJQBUYTA-APWZRJJASA-N 2 1 368.522 0.184 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001130305388 1201582098 /nfs/dbraw/zinc/58/20/98/1201582098.db2.gz XNYFRAVSDFINLF-APWZRJJASA-N 2 1 366.506 0.204 20 0 FCADMP COc1ccc2c(C[C@H]([NH3+])C(=O)NCCn3cc[nH+]c3C)cc(=O)oc2c1 ZINC001219934706 1224689885 /nfs/dbraw/zinc/68/98/85/1224689885.db2.gz IYSVAJXGUAKHNF-INIZCTEOSA-N 2 1 370.409 0.993 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220018109 1224729123 /nfs/dbraw/zinc/72/91/23/1224729123.db2.gz YWAIBACDTILLAK-AEFFLSMTSA-N 2 1 364.490 0.740 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220018109 1224729127 /nfs/dbraw/zinc/72/91/27/1224729127.db2.gz YWAIBACDTILLAK-AEFFLSMTSA-N 2 1 364.490 0.740 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130609972 1202729535 /nfs/dbraw/zinc/72/95/35/1202729535.db2.gz DOQYWPYGDSRSDK-XYJFISCASA-N 2 1 363.506 0.561 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672733 1202752140 /nfs/dbraw/zinc/75/21/40/1202752140.db2.gz XQDNEEOKUSZCEW-DOTOQJQBSA-N 2 1 365.522 0.928 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672299 1202752392 /nfs/dbraw/zinc/75/23/92/1202752392.db2.gz LWNZRBSKOBIGKK-XYJFISCASA-N 2 1 363.506 0.825 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CCCF)c1 ZINC001130692503 1202754771 /nfs/dbraw/zinc/75/47/71/1202754771.db2.gz NMSQZFYMJKMTFX-DOTOQJQBSA-N 2 1 367.469 0.386 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130706605 1202756736 /nfs/dbraw/zinc/75/67/36/1202756736.db2.gz OOHANOABFASIJY-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130695570 1202757937 /nfs/dbraw/zinc/75/79/37/1202757937.db2.gz ZVWWAYDTCHIHPK-DOTOQJQBSA-N 2 1 360.462 0.282 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130698216 1202758108 /nfs/dbraw/zinc/75/81/08/1202758108.db2.gz FUALMEJUJREPQE-FUHWJXTLSA-N 2 1 365.522 0.809 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726355 1202767904 /nfs/dbraw/zinc/76/79/04/1202767904.db2.gz ULBJHKZXBJSFQB-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943857 1202826733 /nfs/dbraw/zinc/82/67/33/1202826733.db2.gz MLDRILNPGDOVQL-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086659270 1202872253 /nfs/dbraw/zinc/87/22/53/1202872253.db2.gz QGHAAYWQYIXUCK-RRFJBIMHSA-N 2 1 362.478 0.277 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001086665031 1202887275 /nfs/dbraw/zinc/88/72/75/1202887275.db2.gz NTVLNFBNJBLJRN-USXIJHARSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001086665031 1202887277 /nfs/dbraw/zinc/88/72/77/1202887277.db2.gz NTVLNFBNJBLJRN-USXIJHARSA-N 2 1 362.474 0.795 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313450 1202887887 /nfs/dbraw/zinc/88/78/87/1202887887.db2.gz SGAVETKOLLYWBM-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001131313554 1202887983 /nfs/dbraw/zinc/88/79/83/1202887983.db2.gz WFGDERJDEMDCLR-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001086665721 1202888509 /nfs/dbraw/zinc/88/85/09/1202888509.db2.gz MEHWTCFFEGPWCJ-HDMKZQKVSA-N 2 1 361.490 0.534 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001086665721 1202888511 /nfs/dbraw/zinc/88/85/11/1202888511.db2.gz MEHWTCFFEGPWCJ-HDMKZQKVSA-N 2 1 361.490 0.534 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001086665796 1202888832 /nfs/dbraw/zinc/88/88/32/1202888832.db2.gz PFRNVNYBDQNSRA-OTWHNJEPSA-N 2 1 361.486 0.884 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001086665796 1202888833 /nfs/dbraw/zinc/88/88/33/1202888833.db2.gz PFRNVNYBDQNSRA-OTWHNJEPSA-N 2 1 361.486 0.884 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131454219 1202898362 /nfs/dbraw/zinc/89/83/62/1202898362.db2.gz RAJKVVKSDAMWTD-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)nc(C)[nH+]1 ZINC001090502512 1202929962 /nfs/dbraw/zinc/92/99/62/1202929962.db2.gz QQXDUPIMGYIGTA-IAGOWNOFSA-N 2 1 370.457 0.681 20 0 FCADMP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1)N1CCC1 ZINC001086717392 1203012546 /nfs/dbraw/zinc/01/25/46/1203012546.db2.gz VVHLHWMXEIEHNK-XHSDSOJGSA-N 2 1 359.474 0.867 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129572 1203014691 /nfs/dbraw/zinc/01/46/91/1203014691.db2.gz LGLRCOYSIZEFQS-JQHSSLGASA-N 2 1 360.502 0.952 20 0 FCADMP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+])ccc2O1 ZINC001220103090 1224762838 /nfs/dbraw/zinc/76/28/38/1224762838.db2.gz GGXKDWKPKKRMTQ-AWEZNQCLSA-N 3 1 363.462 0.662 20 0 FCADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC001086737394 1203063388 /nfs/dbraw/zinc/06/33/88/1203063388.db2.gz IBBKKPVUBPHXMO-ARFHVFGLSA-N 2 1 371.489 0.989 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086740110 1203067136 /nfs/dbraw/zinc/06/71/36/1203067136.db2.gz ITAVDFCYNDCHRU-XHSDSOJGSA-N 2 1 363.510 0.705 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086740110 1203067139 /nfs/dbraw/zinc/06/71/39/1203067139.db2.gz ITAVDFCYNDCHRU-XHSDSOJGSA-N 2 1 363.510 0.705 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001086792811 1203094919 /nfs/dbraw/zinc/09/49/19/1203094919.db2.gz LFALKXBWVZMAEX-DZGCQCFKSA-N 2 1 365.478 0.932 20 0 FCADMP CC[C@]([NH3+])(CO)Nc1nccc(C[N@H+]2CC[C@@H](CO)C2)c1C(OC)OC ZINC001170857163 1203098444 /nfs/dbraw/zinc/09/84/44/1203098444.db2.gz DHJKFNGEMGYNQC-FZKQIMNGSA-N 2 1 368.478 0.656 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863210 1203101784 /nfs/dbraw/zinc/10/17/84/1203101784.db2.gz TVOJHQHZUMLMSB-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001090552661 1203214723 /nfs/dbraw/zinc/21/47/23/1203214723.db2.gz URNSUZNLASZACY-BRWVUGGUSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001090552661 1203214726 /nfs/dbraw/zinc/21/47/26/1203214726.db2.gz URNSUZNLASZACY-BRWVUGGUSA-N 2 1 361.490 0.888 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823807871 1203272568 /nfs/dbraw/zinc/27/25/68/1203272568.db2.gz QLXMFLDFBSEXJT-DNVCBOLYSA-N 2 1 366.506 0.997 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119252 1224777608 /nfs/dbraw/zinc/77/76/08/1224777608.db2.gz IAXHTJAKOUEQAL-ZACQAIPSSA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119252 1224777611 /nfs/dbraw/zinc/77/76/11/1224777611.db2.gz IAXHTJAKOUEQAL-ZACQAIPSSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844175285 1203337767 /nfs/dbraw/zinc/33/77/67/1203337767.db2.gz JAEDDXQOUHRWHR-QGZVFWFLSA-N 2 1 360.458 0.781 20 0 FCADMP COC(=O)[C@]1(NC(=O)CNC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228339 1224809680 /nfs/dbraw/zinc/80/96/80/1224809680.db2.gz JLTIQKOVGJHUCK-FQEVSTJZSA-N 2 1 374.485 0.262 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220234058 1224811545 /nfs/dbraw/zinc/81/15/45/1224811545.db2.gz RZWVVHAQOAQFIZ-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220234058 1224811547 /nfs/dbraw/zinc/81/15/47/1224811547.db2.gz RZWVVHAQOAQFIZ-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220232496 1224811600 /nfs/dbraw/zinc/81/16/00/1224811600.db2.gz YVOQOCUQOLMMAV-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220232496 1224811602 /nfs/dbraw/zinc/81/16/02/1224811602.db2.gz YVOQOCUQOLMMAV-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220237673 1224812545 /nfs/dbraw/zinc/81/25/45/1224812545.db2.gz AJGMKVTWUGQJIN-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220237673 1224812546 /nfs/dbraw/zinc/81/25/46/1224812546.db2.gz AJGMKVTWUGQJIN-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220238071 1224812999 /nfs/dbraw/zinc/81/29/99/1224812999.db2.gz LJNPQVDJIJVRIA-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237930 1224813230 /nfs/dbraw/zinc/81/32/30/1224813230.db2.gz IINOFQGGLZPERQ-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254615 1224815209 /nfs/dbraw/zinc/81/52/09/1224815209.db2.gz SUOZDVJUTVYJHG-JYJNAYRXSA-N 2 1 368.522 0.720 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357453 1224842369 /nfs/dbraw/zinc/84/23/69/1224842369.db2.gz JKOBSPGVRGRXRX-LZQZEXGQSA-N 2 1 363.502 0.727 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369885 1224846317 /nfs/dbraw/zinc/84/63/17/1224846317.db2.gz WFMIGKHHNSEEAP-OAGGEKHMSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369885 1224846319 /nfs/dbraw/zinc/84/63/19/1224846319.db2.gz WFMIGKHHNSEEAP-OAGGEKHMSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369885 1224846324 /nfs/dbraw/zinc/84/63/24/1224846324.db2.gz WFMIGKHHNSEEAP-OAGGEKHMSA-N 2 1 368.522 0.042 20 0 FCADMP CC(=O)NCCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582686 1204798322 /nfs/dbraw/zinc/79/83/22/1204798322.db2.gz CEYFOMHXRDVCSM-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582686 1204798327 /nfs/dbraw/zinc/79/83/27/1204798327.db2.gz CEYFOMHXRDVCSM-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582686 1204798331 /nfs/dbraw/zinc/79/83/31/1204798331.db2.gz CEYFOMHXRDVCSM-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091674873 1204819127 /nfs/dbraw/zinc/81/91/27/1204819127.db2.gz XYHZTKQLJGYWON-YRNRMSPPSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]1C[NH+](CC(N)=O)C2 ZINC001091674873 1204819128 /nfs/dbraw/zinc/81/91/28/1204819128.db2.gz XYHZTKQLJGYWON-YRNRMSPPSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]1C[NH+](CC(N)=O)C2 ZINC001091674873 1204819130 /nfs/dbraw/zinc/81/91/30/1204819130.db2.gz XYHZTKQLJGYWON-YRNRMSPPSA-N 2 1 362.518 0.907 20 0 FCADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[NH+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689991 1204824806 /nfs/dbraw/zinc/82/48/06/1204824806.db2.gz FSQVNAKLBYZSIW-BJZITVGISA-N 2 1 361.490 0.953 20 0 FCADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[NH+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689991 1204824807 /nfs/dbraw/zinc/82/48/07/1204824807.db2.gz FSQVNAKLBYZSIW-BJZITVGISA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689991 1204824808 /nfs/dbraw/zinc/82/48/08/1204824808.db2.gz FSQVNAKLBYZSIW-BJZITVGISA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)n[nH]1 ZINC001091689991 1204824809 /nfs/dbraw/zinc/82/48/09/1204824809.db2.gz FSQVNAKLBYZSIW-BJZITVGISA-N 2 1 361.490 0.953 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1)C1CC1 ZINC001091734908 1204836192 /nfs/dbraw/zinc/83/61/92/1204836192.db2.gz ACJXKMYIZZKELL-BEFAXECRSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735775 1204836824 /nfs/dbraw/zinc/83/68/24/1204836824.db2.gz XIRYGAAWWJGYQF-GLJUWKHASA-N 2 1 362.474 0.056 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737062 1204837583 /nfs/dbraw/zinc/83/75/83/1204837583.db2.gz BGLGQYROQDYSKN-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737062 1204837585 /nfs/dbraw/zinc/83/75/85/1204837585.db2.gz BGLGQYROQDYSKN-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737062 1204837586 /nfs/dbraw/zinc/83/75/86/1204837586.db2.gz BGLGQYROQDYSKN-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743117 1204839797 /nfs/dbraw/zinc/83/97/97/1204839797.db2.gz KIAQXHDZYMQICE-MUKKUYKPSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743117 1204839801 /nfs/dbraw/zinc/83/98/01/1204839801.db2.gz KIAQXHDZYMQICE-MUKKUYKPSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743117 1204839802 /nfs/dbraw/zinc/83/98/02/1204839802.db2.gz KIAQXHDZYMQICE-MUKKUYKPSA-N 2 1 362.474 0.056 20 0 FCADMP Cn1ncnc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754173 1204844400 /nfs/dbraw/zinc/84/44/00/1204844400.db2.gz HKWZMSMEMRIPRL-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP CCn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086880595 1204856299 /nfs/dbraw/zinc/85/62/99/1204856299.db2.gz GWAXGNOQSYIUBW-GVDBMIGSSA-N 2 1 363.506 0.998 20 0 FCADMP CCn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880595 1204856300 /nfs/dbraw/zinc/85/63/00/1204856300.db2.gz GWAXGNOQSYIUBW-GVDBMIGSSA-N 2 1 363.506 0.998 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086882772 1204856925 /nfs/dbraw/zinc/85/69/25/1204856925.db2.gz LKDSSLBGWADVIN-RRFJBIMHSA-N 2 1 364.494 0.357 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086981936 1204886490 /nfs/dbraw/zinc/88/64/90/1204886490.db2.gz LLXXFIUDPIZLDZ-BBWFWOEESA-N 2 1 359.478 0.151 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009655 1204896980 /nfs/dbraw/zinc/89/69/80/1204896980.db2.gz RCZCYEXFGVQWNS-RYQLBKOJSA-N 2 1 371.489 0.190 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001087010107 1204897616 /nfs/dbraw/zinc/89/76/16/1204897616.db2.gz MAOWWUHFXYKNJD-RCCFBDPRSA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001087010107 1204897617 /nfs/dbraw/zinc/89/76/17/1204897617.db2.gz MAOWWUHFXYKNJD-RCCFBDPRSA-N 2 1 363.506 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087035023 1204911668 /nfs/dbraw/zinc/91/16/68/1204911668.db2.gz IJPMIMFWPSQDSQ-KZNAEPCWSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087055626 1204935473 /nfs/dbraw/zinc/93/54/73/1204935473.db2.gz YCEMIIYCWUEWSS-MUIFIZLQSA-N 2 1 364.494 0.108 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087063067 1204949748 /nfs/dbraw/zinc/94/97/48/1204949748.db2.gz HMHUMCJRAJTGND-DJIMGWMZSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087062508 1204950325 /nfs/dbraw/zinc/95/03/25/1204950325.db2.gz JIKJGYLWSTYHMR-RBSFLKMASA-N 2 1 367.494 0.925 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083552 1204971235 /nfs/dbraw/zinc/97/12/35/1204971235.db2.gz KLKPNUJTIWRMIW-FVQBIDKESA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083552 1204971243 /nfs/dbraw/zinc/97/12/43/1204971243.db2.gz KLKPNUJTIWRMIW-FVQBIDKESA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083970 1204972349 /nfs/dbraw/zinc/97/23/49/1204972349.db2.gz ZXZCRJLHFHWZKF-FVQBIDKESA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083970 1204972357 /nfs/dbraw/zinc/97/23/57/1204972357.db2.gz ZXZCRJLHFHWZKF-FVQBIDKESA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083930 1204972604 /nfs/dbraw/zinc/97/26/04/1204972604.db2.gz YLEZRVMHJPBRLV-ARFHVFGLSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087096303 1205003428 /nfs/dbraw/zinc/00/34/28/1205003428.db2.gz HXUSTHCFQSPUKZ-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823944 1205043763 /nfs/dbraw/zinc/04/37/63/1205043763.db2.gz MZVUDMQXJAOTDQ-BEFAXECRSA-N 2 1 355.442 0.816 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012981 1205113180 /nfs/dbraw/zinc/11/31/80/1205113180.db2.gz FRUIHTLNUUDBKJ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012981 1205113181 /nfs/dbraw/zinc/11/31/81/1205113181.db2.gz FRUIHTLNUUDBKJ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012981 1205113183 /nfs/dbraw/zinc/11/31/83/1205113183.db2.gz FRUIHTLNUUDBKJ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012981 1205113185 /nfs/dbraw/zinc/11/31/85/1205113185.db2.gz FRUIHTLNUUDBKJ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013473 1205113234 /nfs/dbraw/zinc/11/32/34/1205113234.db2.gz RTICYSBMIORCDY-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013473 1205113238 /nfs/dbraw/zinc/11/32/38/1205113238.db2.gz RTICYSBMIORCDY-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013473 1205113241 /nfs/dbraw/zinc/11/32/41/1205113241.db2.gz RTICYSBMIORCDY-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012887 1205113663 /nfs/dbraw/zinc/11/36/63/1205113663.db2.gz DLGHNTCZPWMHON-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012887 1205113667 /nfs/dbraw/zinc/11/36/67/1205113667.db2.gz DLGHNTCZPWMHON-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012887 1205113671 /nfs/dbraw/zinc/11/36/71/1205113671.db2.gz DLGHNTCZPWMHON-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145338 1205171217 /nfs/dbraw/zinc/17/12/17/1205171217.db2.gz KFJPGELBUHDXLS-CLCXKQKWSA-N 2 1 366.506 0.012 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198891 1205196408 /nfs/dbraw/zinc/19/64/08/1205196408.db2.gz ACVDRPQMVHCJJZ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198891 1205196416 /nfs/dbraw/zinc/19/64/16/1205196416.db2.gz ACVDRPQMVHCJJZ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198891 1205196429 /nfs/dbraw/zinc/19/64/29/1205196429.db2.gz ACVDRPQMVHCJJZ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198891 1205196440 /nfs/dbraw/zinc/19/64/40/1205196440.db2.gz ACVDRPQMVHCJJZ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203311 1205197807 /nfs/dbraw/zinc/19/78/07/1205197807.db2.gz JDOYUTSYGYTGMZ-DAYGRLMNSA-N 2 1 358.490 0.752 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203311 1205197810 /nfs/dbraw/zinc/19/78/10/1205197810.db2.gz JDOYUTSYGYTGMZ-DAYGRLMNSA-N 2 1 358.490 0.752 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092205934 1205199493 /nfs/dbraw/zinc/19/94/93/1205199493.db2.gz JITRZAPPGPGGRK-BEFAXECRSA-N 2 1 369.473 0.833 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092205934 1205199494 /nfs/dbraw/zinc/19/94/94/1205199494.db2.gz JITRZAPPGPGGRK-BEFAXECRSA-N 2 1 369.473 0.833 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)N1CCCCC1)C2 ZINC001092275523 1205222676 /nfs/dbraw/zinc/22/26/76/1205222676.db2.gz GYZWTVZKRKGBEY-XLIONFOSSA-N 2 1 362.518 0.875 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001092300039 1205233558 /nfs/dbraw/zinc/23/35/58/1205233558.db2.gz QEOCLXWZNVKNRN-XLIONFOSSA-N 2 1 362.518 0.875 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001092302859 1205235221 /nfs/dbraw/zinc/23/52/21/1205235221.db2.gz APCLLQQRTWYWQT-POAQFYNOSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[N@H+]1C ZINC001092618292 1205329571 /nfs/dbraw/zinc/32/95/71/1205329571.db2.gz IIIINUGMPLCTTI-APIJFGDWSA-N 2 1 364.494 0.023 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[NH+]1C ZINC001092618292 1205329574 /nfs/dbraw/zinc/32/95/74/1205329574.db2.gz IIIINUGMPLCTTI-APIJFGDWSA-N 2 1 364.494 0.023 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[NH+]1C ZINC001092618292 1205329576 /nfs/dbraw/zinc/32/95/76/1205329576.db2.gz IIIINUGMPLCTTI-APIJFGDWSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838158 1205355831 /nfs/dbraw/zinc/35/58/31/1205355831.db2.gz NQZXHPWLKQLHSG-YPNVDPLUSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838158 1205355833 /nfs/dbraw/zinc/35/58/33/1205355833.db2.gz NQZXHPWLKQLHSG-YPNVDPLUSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001092838158 1205355836 /nfs/dbraw/zinc/35/58/36/1205355836.db2.gz NQZXHPWLKQLHSG-YPNVDPLUSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001092838158 1205355839 /nfs/dbraw/zinc/35/58/39/1205355839.db2.gz NQZXHPWLKQLHSG-YPNVDPLUSA-N 2 1 360.458 0.722 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911526 1205940754 /nfs/dbraw/zinc/94/07/54/1205940754.db2.gz SQSYEKNKXRLXFT-ZACQAIPSSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911526 1205940757 /nfs/dbraw/zinc/94/07/57/1205940757.db2.gz SQSYEKNKXRLXFT-ZACQAIPSSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911526 1205940761 /nfs/dbraw/zinc/94/07/61/1205940761.db2.gz SQSYEKNKXRLXFT-ZACQAIPSSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911021 1205941330 /nfs/dbraw/zinc/94/13/30/1205941330.db2.gz NPXUZBLCVUGNBG-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911021 1205941335 /nfs/dbraw/zinc/94/13/35/1205941335.db2.gz NPXUZBLCVUGNBG-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911021 1205941337 /nfs/dbraw/zinc/94/13/37/1205941337.db2.gz NPXUZBLCVUGNBG-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220547851 1224920813 /nfs/dbraw/zinc/92/08/13/1224920813.db2.gz KILCCUNNHSIYPI-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220547851 1224920820 /nfs/dbraw/zinc/92/08/20/1224920820.db2.gz KILCCUNNHSIYPI-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547892 1224921926 /nfs/dbraw/zinc/92/19/26/1224921926.db2.gz MFHUDLSJFFYTJI-MSOLQXFVSA-N 2 1 371.522 0.465 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547892 1224921933 /nfs/dbraw/zinc/92/19/33/1224921933.db2.gz MFHUDLSJFFYTJI-MSOLQXFVSA-N 2 1 371.522 0.465 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220550544 1224922995 /nfs/dbraw/zinc/92/29/95/1224922995.db2.gz XUAYNQJOYRARMY-MSOLQXFVSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220550544 1224923003 /nfs/dbraw/zinc/92/30/03/1224923003.db2.gz XUAYNQJOYRARMY-MSOLQXFVSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220550583 1224923181 /nfs/dbraw/zinc/92/31/81/1224923181.db2.gz ZQENLCKQVJLIEZ-BBWFWOEESA-N 2 1 364.490 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220550583 1224923186 /nfs/dbraw/zinc/92/31/86/1224923186.db2.gz ZQENLCKQVJLIEZ-BBWFWOEESA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120286 1206026960 /nfs/dbraw/zinc/02/69/60/1206026960.db2.gz FMQWNCSFTDQJSZ-CRAIPNDOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195616 1206052775 /nfs/dbraw/zinc/05/27/75/1206052775.db2.gz SALNRHWRBUPFSS-RBSFLKMASA-N 2 1 360.462 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195616 1206052778 /nfs/dbraw/zinc/05/27/78/1206052778.db2.gz SALNRHWRBUPFSS-RBSFLKMASA-N 2 1 360.462 0.051 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195616 1206052780 /nfs/dbraw/zinc/05/27/80/1206052780.db2.gz SALNRHWRBUPFSS-RBSFLKMASA-N 2 1 360.462 0.051 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195616 1206052785 /nfs/dbraw/zinc/05/27/85/1206052785.db2.gz SALNRHWRBUPFSS-RBSFLKMASA-N 2 1 360.462 0.051 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)no1 ZINC001093673179 1206099607 /nfs/dbraw/zinc/09/96/07/1206099607.db2.gz KHLUPWMWVMQTPZ-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)no1 ZINC001093673179 1206099610 /nfs/dbraw/zinc/09/96/10/1206099610.db2.gz KHLUPWMWVMQTPZ-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093864688 1206136715 /nfs/dbraw/zinc/13/67/15/1206136715.db2.gz SUHXFJBNMONSGR-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093922679 1206150226 /nfs/dbraw/zinc/15/02/26/1206150226.db2.gz ARZJVRLETATFPW-HUUCEWRRSA-N 2 1 371.489 0.775 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093987544 1206164877 /nfs/dbraw/zinc/16/48/77/1206164877.db2.gz RERQMQRVQLLMHW-OWCLPIDISA-N 2 1 363.510 0.516 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093987544 1206164879 /nfs/dbraw/zinc/16/48/79/1206164879.db2.gz RERQMQRVQLLMHW-OWCLPIDISA-N 2 1 363.510 0.516 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)CC2 ZINC001093996461 1206166005 /nfs/dbraw/zinc/16/60/05/1206166005.db2.gz CAZHKKSFGPVYGC-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1)[NH+](C)C ZINC001094049505 1206176698 /nfs/dbraw/zinc/17/66/98/1206176698.db2.gz XEMMGGLTPPSENN-KFWWJZLASA-N 2 1 365.526 0.952 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094219591 1206203130 /nfs/dbraw/zinc/20/31/30/1206203130.db2.gz NJQAZFWSBOMAOR-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP Cn1nccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384608 1206222523 /nfs/dbraw/zinc/22/25/23/1206222523.db2.gz AYMBXJSLFMIWEK-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384608 1206222529 /nfs/dbraw/zinc/22/25/29/1206222529.db2.gz AYMBXJSLFMIWEK-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384608 1206222531 /nfs/dbraw/zinc/22/25/31/1206222531.db2.gz AYMBXJSLFMIWEK-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384608 1206222533 /nfs/dbraw/zinc/22/25/33/1206222533.db2.gz AYMBXJSLFMIWEK-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384609 1206222791 /nfs/dbraw/zinc/22/27/91/1206222791.db2.gz AYMBXJSLFMIWEK-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384609 1206222795 /nfs/dbraw/zinc/22/27/95/1206222795.db2.gz AYMBXJSLFMIWEK-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384609 1206222799 /nfs/dbraw/zinc/22/27/99/1206222799.db2.gz AYMBXJSLFMIWEK-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1nccc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384609 1206222801 /nfs/dbraw/zinc/22/28/01/1206222801.db2.gz AYMBXJSLFMIWEK-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP C[C@@H](CCCC[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500599 1206249703 /nfs/dbraw/zinc/24/97/03/1206249703.db2.gz LLVZCCSYMAHCIA-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CCCC[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500599 1206249706 /nfs/dbraw/zinc/24/97/06/1206249706.db2.gz LLVZCCSYMAHCIA-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500993 1206250092 /nfs/dbraw/zinc/25/00/92/1206250092.db2.gz OZEBGSSTMSNPEO-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500993 1206250093 /nfs/dbraw/zinc/25/00/93/1206250093.db2.gz OZEBGSSTMSNPEO-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132733 1206257202 /nfs/dbraw/zinc/25/72/02/1206257202.db2.gz NOHNROJBUAOISN-XMTFNYHQSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132733 1206257204 /nfs/dbraw/zinc/25/72/04/1206257204.db2.gz NOHNROJBUAOISN-XMTFNYHQSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H]2C(=O)N(C)C ZINC001172132733 1206257207 /nfs/dbraw/zinc/25/72/07/1206257207.db2.gz NOHNROJBUAOISN-XMTFNYHQSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001172888967 1206264355 /nfs/dbraw/zinc/26/43/55/1206264355.db2.gz MZDIGSUDUWFFKE-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173579261 1206282941 /nfs/dbraw/zinc/28/29/41/1206282941.db2.gz NMEPDZKIDLVQHA-OSYLJGHBSA-N 2 1 367.490 0.439 20 0 FCADMP C[C@@H]([NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001177349091 1206337067 /nfs/dbraw/zinc/33/70/67/1206337067.db2.gz XWTVLIARKISDPN-BFYDXBDKSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]([NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001177349091 1206337070 /nfs/dbraw/zinc/33/70/70/1206337070.db2.gz XWTVLIARKISDPN-BFYDXBDKSA-N 2 1 368.522 0.578 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001178527391 1206358998 /nfs/dbraw/zinc/35/89/98/1206358998.db2.gz KSTRJNVQJXVJKY-QLFBSQMISA-N 2 1 369.510 0.566 20 0 FCADMP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC3)CC1 ZINC001178691898 1206362941 /nfs/dbraw/zinc/36/29/41/1206362941.db2.gz JCKWWXKUPJJHPH-KRWDZBQOSA-N 2 1 360.506 0.457 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220582781 1224948335 /nfs/dbraw/zinc/94/83/35/1224948335.db2.gz DGBMTGUQNOZYCB-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220582781 1224948342 /nfs/dbraw/zinc/94/83/42/1224948342.db2.gz DGBMTGUQNOZYCB-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CCn1ncnc1C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811691 1206365513 /nfs/dbraw/zinc/36/55/13/1206365513.db2.gz YYVPJOBYSPJBSS-HZPDHXFCSA-N 2 1 366.510 0.783 20 0 FCADMP CCn1ncnc1C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811691 1206365515 /nfs/dbraw/zinc/36/55/15/1206365515.db2.gz YYVPJOBYSPJBSS-HZPDHXFCSA-N 2 1 366.510 0.783 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N(C)C2CC2)O1 ZINC001178810364 1206365603 /nfs/dbraw/zinc/36/56/03/1206365603.db2.gz CUVOWFQFKMSNBG-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N(C)C2CC2)O1 ZINC001178810364 1206365606 /nfs/dbraw/zinc/36/56/06/1206365606.db2.gz CUVOWFQFKMSNBG-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810296 1206365727 /nfs/dbraw/zinc/36/57/27/1206365727.db2.gz BLVKDKKYTHIDAN-IAGOWNOFSA-N 2 1 370.538 0.839 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810296 1206365730 /nfs/dbraw/zinc/36/57/30/1206365730.db2.gz BLVKDKKYTHIDAN-IAGOWNOFSA-N 2 1 370.538 0.839 20 0 FCADMP Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC001178930498 1206367621 /nfs/dbraw/zinc/36/76/21/1206367621.db2.gz DEOBKYYREOXAPZ-IAGOWNOFSA-N 2 1 371.489 0.972 20 0 FCADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CN1CC[NH+](C)CC1)[C@H]2C ZINC001178950134 1206368630 /nfs/dbraw/zinc/36/86/30/1206368630.db2.gz YEVPKORMJVTOGF-INIZCTEOSA-N 2 1 362.522 0.874 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)CN1CC[NH+](C)CC1)[C@H]2C ZINC001178950134 1206368632 /nfs/dbraw/zinc/36/86/32/1206368632.db2.gz YEVPKORMJVTOGF-INIZCTEOSA-N 2 1 362.522 0.874 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982656 1206369434 /nfs/dbraw/zinc/36/94/34/1206369434.db2.gz PUVOGHCCDCMLQQ-YQFWSFKMSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982656 1206369437 /nfs/dbraw/zinc/36/94/37/1206369437.db2.gz PUVOGHCCDCMLQQ-YQFWSFKMSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)N1CCN(CC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC001180342674 1206393109 /nfs/dbraw/zinc/39/31/09/1206393109.db2.gz FIEYUWSKGVPBDT-UHFFFAOYSA-N 2 1 364.494 0.180 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397719 /nfs/dbraw/zinc/39/77/19/1206397719.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 1 374.485 0.460 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397721 /nfs/dbraw/zinc/39/77/21/1206397721.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 1 374.485 0.460 20 0 FCADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220585599 1224951777 /nfs/dbraw/zinc/95/17/77/1224951777.db2.gz QPLSRPZWMKTALN-QGZVFWFLSA-N 3 1 374.485 0.058 20 0 FCADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220585599 1224951787 /nfs/dbraw/zinc/95/17/87/1224951787.db2.gz QPLSRPZWMKTALN-QGZVFWFLSA-N 3 1 374.485 0.058 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000774440989 1206436474 /nfs/dbraw/zinc/43/64/74/1206436474.db2.gz XNFIJRZQPLWOFZ-UHFFFAOYSA-N 2 1 358.446 0.650 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001182684691 1206442146 /nfs/dbraw/zinc/44/21/46/1206442146.db2.gz UQLICGBCQMRBAF-MGPQQGTHSA-N 2 1 367.494 0.141 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000774814399 1206474726 /nfs/dbraw/zinc/47/47/26/1206474726.db2.gz HYHIZDLKTQUZNO-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH+](C)CCN1C)[C@H]2C ZINC001185253030 1206477633 /nfs/dbraw/zinc/47/76/33/1206477633.db2.gz VJMFMABKAFHUQS-DOTOQJQBSA-N 2 1 362.522 0.872 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001186039610 1206490816 /nfs/dbraw/zinc/49/08/16/1206490816.db2.gz YUJFKVWXKAUCRG-KRWDZBQOSA-N 2 1 367.490 0.319 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186383565 1206496795 /nfs/dbraw/zinc/49/67/95/1206496795.db2.gz ZHQQFJOQINQRMW-OWCLPIDISA-N 2 1 366.506 0.047 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000775031331 1206498847 /nfs/dbraw/zinc/49/88/47/1206498847.db2.gz ATQMDIZKTFUPSF-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405128 1207454778 /nfs/dbraw/zinc/45/47/78/1207454778.db2.gz AAZIUMYBLOUGAI-RYQLBKOJSA-N 2 1 362.474 0.448 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188561382 1207462884 /nfs/dbraw/zinc/46/28/84/1207462884.db2.gz DBPKYPQDBBKRAS-TYNCELHUSA-N 2 1 370.413 0.064 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188561382 1207462888 /nfs/dbraw/zinc/46/28/88/1207462888.db2.gz DBPKYPQDBBKRAS-TYNCELHUSA-N 2 1 370.413 0.064 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001188562755 1207463117 /nfs/dbraw/zinc/46/31/17/1207463117.db2.gz RIQGTUKNBLGBIT-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001188562755 1207463118 /nfs/dbraw/zinc/46/31/18/1207463118.db2.gz RIQGTUKNBLGBIT-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001188985524 1207494170 /nfs/dbraw/zinc/49/41/70/1207494170.db2.gz JGQRVXTYSYBMSC-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001188985524 1207494175 /nfs/dbraw/zinc/49/41/75/1207494175.db2.gz JGQRVXTYSYBMSC-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001189055009 1207498585 /nfs/dbraw/zinc/49/85/85/1207498585.db2.gz MJOVACSUSQHLHL-JENIJYKNSA-N 2 1 361.486 0.911 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025659 1207500618 /nfs/dbraw/zinc/50/06/18/1207500618.db2.gz DBPGROGFUMBXLB-SOUVJXGZSA-N 2 1 367.494 0.094 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025659 1207500621 /nfs/dbraw/zinc/50/06/21/1207500621.db2.gz DBPGROGFUMBXLB-SOUVJXGZSA-N 2 1 367.494 0.094 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126644 1207509410 /nfs/dbraw/zinc/50/94/10/1207509410.db2.gz JCGDWNWVBBWVJV-RYQLBKOJSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126644 1207509418 /nfs/dbraw/zinc/50/94/18/1207509418.db2.gz JCGDWNWVBBWVJV-RYQLBKOJSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126644 1207509421 /nfs/dbraw/zinc/50/94/21/1207509421.db2.gz JCGDWNWVBBWVJV-RYQLBKOJSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189160069 1207514265 /nfs/dbraw/zinc/51/42/65/1207514265.db2.gz URETWFQCHMCOQK-JKSUJKDBSA-N 2 1 365.522 0.522 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189160069 1207514272 /nfs/dbraw/zinc/51/42/72/1207514272.db2.gz URETWFQCHMCOQK-JKSUJKDBSA-N 2 1 365.522 0.522 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189160069 1207514277 /nfs/dbraw/zinc/51/42/77/1207514277.db2.gz URETWFQCHMCOQK-JKSUJKDBSA-N 2 1 365.522 0.522 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433300 1207550722 /nfs/dbraw/zinc/55/07/22/1207550722.db2.gz MVNJLZSBJXROSC-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433300 1207550730 /nfs/dbraw/zinc/55/07/30/1207550730.db2.gz MVNJLZSBJXROSC-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433300 1207550739 /nfs/dbraw/zinc/55/07/39/1207550739.db2.gz MVNJLZSBJXROSC-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189660050 1207585170 /nfs/dbraw/zinc/58/51/70/1207585170.db2.gz MUEFSKUHPJDEGF-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189660050 1207585173 /nfs/dbraw/zinc/58/51/73/1207585173.db2.gz MUEFSKUHPJDEGF-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189660050 1207585176 /nfs/dbraw/zinc/58/51/76/1207585176.db2.gz MUEFSKUHPJDEGF-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810774 1207603698 /nfs/dbraw/zinc/60/36/98/1207603698.db2.gz GRUQABRJGHWWNM-XYJFISCASA-N 2 1 361.490 0.957 20 0 FCADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810774 1207603702 /nfs/dbraw/zinc/60/37/02/1207603702.db2.gz GRUQABRJGHWWNM-XYJFISCASA-N 2 1 361.490 0.957 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923141 1207621055 /nfs/dbraw/zinc/62/10/55/1207621055.db2.gz JIRSCIUOBXIGOM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923141 1207621056 /nfs/dbraw/zinc/62/10/56/1207621056.db2.gz JIRSCIUOBXIGOM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923141 1207621061 /nfs/dbraw/zinc/62/10/61/1207621061.db2.gz JIRSCIUOBXIGOM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923141 1207621063 /nfs/dbraw/zinc/62/10/63/1207621063.db2.gz JIRSCIUOBXIGOM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001190350814 1207679806 /nfs/dbraw/zinc/67/98/06/1207679806.db2.gz KIQYZFWCMTVNKV-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001190350814 1207679811 /nfs/dbraw/zinc/67/98/11/1207679811.db2.gz KIQYZFWCMTVNKV-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001190350814 1207679818 /nfs/dbraw/zinc/67/98/18/1207679818.db2.gz KIQYZFWCMTVNKV-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001190350814 1207679822 /nfs/dbraw/zinc/67/98/22/1207679822.db2.gz KIQYZFWCMTVNKV-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688746 1225014629 /nfs/dbraw/zinc/01/46/29/1225014629.db2.gz PIXFFGFIVKVFIP-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688746 1225014641 /nfs/dbraw/zinc/01/46/41/1225014641.db2.gz PIXFFGFIVKVFIP-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688746 1225014653 /nfs/dbraw/zinc/01/46/53/1225014653.db2.gz PIXFFGFIVKVFIP-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688746 1225014662 /nfs/dbraw/zinc/01/46/62/1225014662.db2.gz PIXFFGFIVKVFIP-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193728054 1207886282 /nfs/dbraw/zinc/88/62/82/1207886282.db2.gz NJXLSMWRKLOVAW-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193728054 1207886284 /nfs/dbraw/zinc/88/62/84/1207886284.db2.gz NJXLSMWRKLOVAW-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193728054 1207886285 /nfs/dbraw/zinc/88/62/85/1207886285.db2.gz NJXLSMWRKLOVAW-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193728054 1207886286 /nfs/dbraw/zinc/88/62/86/1207886286.db2.gz NJXLSMWRKLOVAW-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)CCC1 ZINC001193766549 1207890906 /nfs/dbraw/zinc/89/09/06/1207890906.db2.gz TXSSARLWSRFHBX-HZPDHXFCSA-N 2 1 359.430 0.368 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)CCC1 ZINC001193766549 1207890907 /nfs/dbraw/zinc/89/09/07/1207890907.db2.gz TXSSARLWSRFHBX-HZPDHXFCSA-N 2 1 359.430 0.368 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901479 1207897758 /nfs/dbraw/zinc/89/77/58/1207897758.db2.gz FZJDFDYSDAYHBE-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901479 1207897761 /nfs/dbraw/zinc/89/77/61/1207897761.db2.gz FZJDFDYSDAYHBE-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901479 1207897763 /nfs/dbraw/zinc/89/77/63/1207897763.db2.gz FZJDFDYSDAYHBE-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC001194038568 1207906731 /nfs/dbraw/zinc/90/67/31/1207906731.db2.gz FDTNNRFSCGCPRX-KURKYZTESA-N 2 1 365.518 0.839 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001195700402 1208035940 /nfs/dbraw/zinc/03/59/40/1208035940.db2.gz DORFTWBKTRSYKI-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195828933 1208042169 /nfs/dbraw/zinc/04/21/69/1208042169.db2.gz KYCZRGRFXSPLPM-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195828933 1208042172 /nfs/dbraw/zinc/04/21/72/1208042172.db2.gz KYCZRGRFXSPLPM-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001195981261 1208049183 /nfs/dbraw/zinc/04/91/83/1208049183.db2.gz RGYLEDSARBMKNH-KZNAEPCWSA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)[NH+](C)C ZINC001195980624 1208049627 /nfs/dbraw/zinc/04/96/27/1208049627.db2.gz ATBRCWDBULHYOF-BRWVUGGUSA-N 2 1 361.446 0.470 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1C ZINC001196954514 1208125614 /nfs/dbraw/zinc/12/56/14/1208125614.db2.gz ZBRKTJROABZJDL-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1C ZINC001196954514 1208125617 /nfs/dbraw/zinc/12/56/17/1208125617.db2.gz ZBRKTJROABZJDL-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001196954528 1208125791 /nfs/dbraw/zinc/12/57/91/1208125791.db2.gz ZNXKEIKUNRPVPT-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001196954528 1208125792 /nfs/dbraw/zinc/12/57/92/1208125792.db2.gz ZNXKEIKUNRPVPT-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O ZINC001197000815 1208127655 /nfs/dbraw/zinc/12/76/55/1208127655.db2.gz KZSWMXDRZCFQCM-QZTJIDSGSA-N 2 1 365.522 0.902 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001197058056 1208132356 /nfs/dbraw/zinc/13/23/56/1208132356.db2.gz LYNFLTCKSFGRQD-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206013 1208146171 /nfs/dbraw/zinc/14/61/71/1208146171.db2.gz DCFIKLFBGQBPDL-IAOVAPTHSA-N 2 1 359.430 0.203 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206013 1208146172 /nfs/dbraw/zinc/14/61/72/1208146172.db2.gz DCFIKLFBGQBPDL-IAOVAPTHSA-N 2 1 359.430 0.203 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@H]1O ZINC001197492958 1208166943 /nfs/dbraw/zinc/16/69/43/1208166943.db2.gz BRSQZYIIYOMINN-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@H]1O ZINC001197492958 1208166949 /nfs/dbraw/zinc/16/69/49/1208166949.db2.gz BRSQZYIIYOMINN-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@H]1O ZINC001197492958 1208166954 /nfs/dbraw/zinc/16/69/54/1208166954.db2.gz BRSQZYIIYOMINN-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@H]1O ZINC001197492958 1208166956 /nfs/dbraw/zinc/16/69/56/1208166956.db2.gz BRSQZYIIYOMINN-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC001197510708 1208169308 /nfs/dbraw/zinc/16/93/08/1208169308.db2.gz WGYPVXNNDYCPEN-UHFFFAOYSA-N 2 1 368.485 0.956 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536226 1208171993 /nfs/dbraw/zinc/17/19/93/1208171993.db2.gz PIXFFGFIVKVFIP-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536226 1208171997 /nfs/dbraw/zinc/17/19/97/1208171997.db2.gz PIXFFGFIVKVFIP-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536226 1208172000 /nfs/dbraw/zinc/17/20/00/1208172000.db2.gz PIXFFGFIVKVFIP-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536226 1208172005 /nfs/dbraw/zinc/17/20/05/1208172005.db2.gz PIXFFGFIVKVFIP-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP C[N@@H+](C1CN(C(=O)c2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1)[C@H]1CCOC1 ZINC001197610914 1208177208 /nfs/dbraw/zinc/17/72/08/1208177208.db2.gz PFZFAPRYKMMOGW-PKOBYXMFSA-N 2 1 359.470 0.798 20 0 FCADMP C[NH+](C1CN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1)[C@H]1CCOC1 ZINC001197610914 1208177210 /nfs/dbraw/zinc/17/72/10/1208177210.db2.gz PFZFAPRYKMMOGW-PKOBYXMFSA-N 2 1 359.470 0.798 20 0 FCADMP C[NH+](C1CN(C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1)[C@H]1CCOC1 ZINC001197610914 1208177213 /nfs/dbraw/zinc/17/72/13/1208177213.db2.gz PFZFAPRYKMMOGW-PKOBYXMFSA-N 2 1 359.470 0.798 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001197724939 1208191053 /nfs/dbraw/zinc/19/10/53/1208191053.db2.gz ZAEZWVVTSJVZDZ-QZTJIDSGSA-N 2 1 365.522 0.947 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001197784327 1208196985 /nfs/dbraw/zinc/19/69/85/1208196985.db2.gz VLPYUXSLUNFCHP-RTBURBONSA-N 2 1 361.486 0.415 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001197825776 1208201465 /nfs/dbraw/zinc/20/14/65/1208201465.db2.gz IILZAPLVLCUJKG-RTBURBONSA-N 2 1 361.486 0.804 20 0 FCADMP COc1cccc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826182 1208202055 /nfs/dbraw/zinc/20/20/55/1208202055.db2.gz PKOFAWQCJZZTOD-BMGDILEWSA-N 2 1 365.474 0.496 20 0 FCADMP COc1cccc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826182 1208202059 /nfs/dbraw/zinc/20/20/59/1208202059.db2.gz PKOFAWQCJZZTOD-BMGDILEWSA-N 2 1 365.474 0.496 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001198047325 1208213035 /nfs/dbraw/zinc/21/30/35/1208213035.db2.gz KFWVMJUOZUPPJS-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001198047325 1208213038 /nfs/dbraw/zinc/21/30/38/1208213038.db2.gz KFWVMJUOZUPPJS-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001198047325 1208213042 /nfs/dbraw/zinc/21/30/42/1208213042.db2.gz KFWVMJUOZUPPJS-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001198047325 1208213044 /nfs/dbraw/zinc/21/30/44/1208213044.db2.gz KFWVMJUOZUPPJS-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001198146772 1208223780 /nfs/dbraw/zinc/22/37/80/1208223780.db2.gz IZCFOTJPJMYZOX-OAHLLOKOSA-N 2 1 367.457 0.622 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663137 1208280620 /nfs/dbraw/zinc/28/06/20/1208280620.db2.gz XYNMFDVCJPKBIE-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663137 1208280626 /nfs/dbraw/zinc/28/06/26/1208280626.db2.gz XYNMFDVCJPKBIE-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001198663137 1208280631 /nfs/dbraw/zinc/28/06/31/1208280631.db2.gz XYNMFDVCJPKBIE-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001198673019 1208281871 /nfs/dbraw/zinc/28/18/71/1208281871.db2.gz WVFQWWHZJFOOLG-QZTJIDSGSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001198673019 1208281874 /nfs/dbraw/zinc/28/18/74/1208281874.db2.gz WVFQWWHZJFOOLG-QZTJIDSGSA-N 2 1 364.490 0.950 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199023403 1208310074 /nfs/dbraw/zinc/31/00/74/1208310074.db2.gz HVYAEPFZHNUOLS-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199023403 1208310078 /nfs/dbraw/zinc/31/00/78/1208310078.db2.gz HVYAEPFZHNUOLS-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370205 1208343906 /nfs/dbraw/zinc/34/39/06/1208343906.db2.gz OEIPOVSGBKYZFN-BRWVUGGUSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370205 1208343907 /nfs/dbraw/zinc/34/39/07/1208343907.db2.gz OEIPOVSGBKYZFN-BRWVUGGUSA-N 2 1 368.522 0.458 20 0 FCADMP O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001199405333 1208349396 /nfs/dbraw/zinc/34/93/96/1208349396.db2.gz AGXCEUBXQVYRBS-QZTJIDSGSA-N 2 1 358.442 0.651 20 0 FCADMP COCC[C@@H](c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199406633 1208349888 /nfs/dbraw/zinc/34/98/88/1208349888.db2.gz UYSGRESOPXKFBJ-FGTMMUONSA-N 2 1 358.442 0.822 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@@H]1O ZINC001220764704 1225061184 /nfs/dbraw/zinc/06/11/84/1225061184.db2.gz SWMLUQPJVWSTIY-SQNIBIBYSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@@H]1O ZINC001220764704 1225061195 /nfs/dbraw/zinc/06/11/95/1225061195.db2.gz SWMLUQPJVWSTIY-SQNIBIBYSA-N 2 1 365.449 0.553 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220764278 1225061659 /nfs/dbraw/zinc/06/16/59/1225061659.db2.gz FMMDBBIWTXOALO-MSOLQXFVSA-N 2 1 365.474 0.113 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220764278 1225061668 /nfs/dbraw/zinc/06/16/68/1225061668.db2.gz FMMDBBIWTXOALO-MSOLQXFVSA-N 2 1 365.474 0.113 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CC3(CCN3C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835742 1208406844 /nfs/dbraw/zinc/40/68/44/1208406844.db2.gz QIIIAGGIECRSLA-IRXDYDNUSA-N 2 1 360.502 0.626 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1O ZINC001220768354 1225062687 /nfs/dbraw/zinc/06/26/87/1225062687.db2.gz IILZAPLVLCUJKG-MOPGFXCFSA-N 2 1 361.486 0.804 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771554 1225064935 /nfs/dbraw/zinc/06/49/35/1225064935.db2.gz YQQOAJHWJWLXIC-MSOLQXFVSA-N 2 1 359.470 0.460 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771554 1225064941 /nfs/dbraw/zinc/06/49/41/1225064941.db2.gz YQQOAJHWJWLXIC-MSOLQXFVSA-N 2 1 359.470 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001488734713 1208549758 /nfs/dbraw/zinc/54/97/58/1208549758.db2.gz FZPRGUGPJBLWPF-TXCZRRACSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001488982386 1208599345 /nfs/dbraw/zinc/59/93/45/1208599345.db2.gz UBFDUALTSSMPQQ-BHYGNILZSA-N 2 1 351.495 0.681 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001489202438 1208663889 /nfs/dbraw/zinc/66/38/89/1208663889.db2.gz JGTQRZDDEZHKAR-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220807221 1225082596 /nfs/dbraw/zinc/08/25/96/1225082596.db2.gz RAMJDVMARNFYQZ-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220815647 1225084683 /nfs/dbraw/zinc/08/46/83/1225084683.db2.gz TXEORJUZXSVPOK-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220815647 1225084686 /nfs/dbraw/zinc/08/46/86/1225084686.db2.gz TXEORJUZXSVPOK-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220815647 1225084694 /nfs/dbraw/zinc/08/46/94/1225084694.db2.gz TXEORJUZXSVPOK-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220815647 1225084702 /nfs/dbraw/zinc/08/47/02/1225084702.db2.gz TXEORJUZXSVPOK-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220817001 1225086708 /nfs/dbraw/zinc/08/67/08/1225086708.db2.gz KTGQHUCFYVYFBV-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220817001 1225086714 /nfs/dbraw/zinc/08/67/14/1225086714.db2.gz KTGQHUCFYVYFBV-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220817001 1225086721 /nfs/dbraw/zinc/08/67/21/1225086721.db2.gz KTGQHUCFYVYFBV-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220817001 1225086727 /nfs/dbraw/zinc/08/67/27/1225086727.db2.gz KTGQHUCFYVYFBV-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000851883628 1209523246 /nfs/dbraw/zinc/52/32/46/1209523246.db2.gz WSZLQKQAEMYIRJ-IMFGXOCKSA-N 2 1 360.502 0.317 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001110668006 1209591795 /nfs/dbraw/zinc/59/17/95/1209591795.db2.gz SGEUPWWOVYMUDC-BSXFFOKHSA-N 2 1 362.474 0.197 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001110668006 1209591799 /nfs/dbraw/zinc/59/17/99/1209591799.db2.gz SGEUPWWOVYMUDC-BSXFFOKHSA-N 2 1 362.474 0.197 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110684634 1209627928 /nfs/dbraw/zinc/62/79/28/1209627928.db2.gz RUMNGCUUCIVIDC-HZMVEIRTSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110684634 1209627929 /nfs/dbraw/zinc/62/79/29/1209627929.db2.gz RUMNGCUUCIVIDC-HZMVEIRTSA-N 2 1 363.506 0.608 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)n2cc(C[NH3+])cnc2=N)cc1 ZINC001220951209 1225155354 /nfs/dbraw/zinc/15/53/54/1225155354.db2.gz TXWQVBOWMCKUFR-HNNXBMFYSA-N 2 1 371.441 0.721 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001110765610 1209809772 /nfs/dbraw/zinc/80/97/72/1209809772.db2.gz IENYYRRBAQIBOQ-ZACQAIPSSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001110765610 1209809774 /nfs/dbraw/zinc/80/97/74/1209809774.db2.gz IENYYRRBAQIBOQ-ZACQAIPSSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000861760946 1209880580 /nfs/dbraw/zinc/88/05/80/1209880580.db2.gz RYYFPVKNKNHURY-XLIONFOSSA-N 2 1 374.485 0.119 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978325 1225171014 /nfs/dbraw/zinc/17/10/14/1225171014.db2.gz XYNMFDVCJPKBIE-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978325 1225171022 /nfs/dbraw/zinc/17/10/22/1225171022.db2.gz XYNMFDVCJPKBIE-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978325 1225171027 /nfs/dbraw/zinc/17/10/27/1225171027.db2.gz XYNMFDVCJPKBIE-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986101 1225174182 /nfs/dbraw/zinc/17/41/82/1225174182.db2.gz SCCFKHDAFDUSEW-UHOSZYNNSA-N 2 1 361.486 0.625 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000863773992 1209951569 /nfs/dbraw/zinc/95/15/69/1209951569.db2.gz NLUZCWUXQLVTDT-UZLBHIALSA-N 2 1 358.486 0.917 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864906095 1209967669 /nfs/dbraw/zinc/96/76/69/1209967669.db2.gz LTJXIVPOFJXAKL-KFESYUHLSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000864906095 1209967672 /nfs/dbraw/zinc/96/76/72/1209967672.db2.gz LTJXIVPOFJXAKL-KFESYUHLSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000864906095 1209967676 /nfs/dbraw/zinc/96/76/76/1209967676.db2.gz LTJXIVPOFJXAKL-KFESYUHLSA-N 2 1 366.481 0.811 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(F)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000866540868 1209998222 /nfs/dbraw/zinc/99/82/22/1209998222.db2.gz SFVQLDGNDKEIFD-MPTQWLOMSA-N 2 1 366.481 0.522 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCC1CCCCC1 ZINC000866710917 1210003942 /nfs/dbraw/zinc/00/39/42/1210003942.db2.gz XORIDVMIHOGVAE-ZACQAIPSSA-N 2 1 364.490 0.940 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCC1CCCCC1 ZINC000866710917 1210003947 /nfs/dbraw/zinc/00/39/47/1210003947.db2.gz XORIDVMIHOGVAE-ZACQAIPSSA-N 2 1 364.490 0.940 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868228857 1210045367 /nfs/dbraw/zinc/04/53/67/1210045367.db2.gz IJCZFAJRMRKDFR-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000871463558 1210157901 /nfs/dbraw/zinc/15/79/01/1210157901.db2.gz IIHJZTFVFUGVLT-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000871463558 1210157906 /nfs/dbraw/zinc/15/79/06/1210157906.db2.gz IIHJZTFVFUGVLT-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000871463558 1210157913 /nfs/dbraw/zinc/15/79/13/1210157913.db2.gz IIHJZTFVFUGVLT-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000875334017 1210366216 /nfs/dbraw/zinc/36/62/16/1210366216.db2.gz JFGNOEQQZSSJJQ-WBVHZDCISA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000875334017 1210366219 /nfs/dbraw/zinc/36/62/19/1210366219.db2.gz JFGNOEQQZSSJJQ-WBVHZDCISA-N 2 1 368.522 0.448 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000876721946 1210424731 /nfs/dbraw/zinc/42/47/31/1210424731.db2.gz NCOYFUAABUMOMI-HNNXBMFYSA-N 2 1 362.478 0.010 20 0 FCADMP O=C(NCCO)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877993535 1210452912 /nfs/dbraw/zinc/45/29/12/1210452912.db2.gz PVCITPLZMWLLGC-FQEVSTJZSA-N 2 1 361.486 0.444 20 0 FCADMP O=C(NCCO)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877993535 1210452914 /nfs/dbraw/zinc/45/29/14/1210452914.db2.gz PVCITPLZMWLLGC-FQEVSTJZSA-N 2 1 361.486 0.444 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001221081474 1225214077 /nfs/dbraw/zinc/21/40/77/1225214077.db2.gz NOWJWBUIDCFNRN-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001221081474 1225214083 /nfs/dbraw/zinc/21/40/83/1225214083.db2.gz NOWJWBUIDCFNRN-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093374 1225219411 /nfs/dbraw/zinc/21/94/11/1225219411.db2.gz KGRXEYIQYQMGNY-MSOLQXFVSA-N 2 1 362.474 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093374 1225219416 /nfs/dbraw/zinc/21/94/16/1225219416.db2.gz KGRXEYIQYQMGNY-MSOLQXFVSA-N 2 1 362.474 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093374 1225219418 /nfs/dbraw/zinc/21/94/18/1225219418.db2.gz KGRXEYIQYQMGNY-MSOLQXFVSA-N 2 1 362.474 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093374 1225219422 /nfs/dbraw/zinc/21/94/22/1225219422.db2.gz KGRXEYIQYQMGNY-MSOLQXFVSA-N 2 1 362.474 0.647 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000882379539 1210620080 /nfs/dbraw/zinc/62/00/80/1210620080.db2.gz AEENBLNEYFKJMX-GOSISDBHSA-N 2 1 361.486 0.850 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000882379539 1210620088 /nfs/dbraw/zinc/62/00/88/1210620088.db2.gz AEENBLNEYFKJMX-GOSISDBHSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000883441740 1210667253 /nfs/dbraw/zinc/66/72/53/1210667253.db2.gz WODZNVUBPSEMRJ-MRXNPFEDSA-N 2 1 368.522 0.897 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000883603706 1210673187 /nfs/dbraw/zinc/67/31/87/1210673187.db2.gz BMAZOOWBZIKPIH-AEFFLSMTSA-N 2 1 371.485 0.778 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604478 1210673453 /nfs/dbraw/zinc/67/34/53/1210673453.db2.gz XZRRXMWXYRNRDD-RHSMWYFYSA-N 2 1 357.458 0.469 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000883657106 1210682018 /nfs/dbraw/zinc/68/20/18/1210682018.db2.gz RTEMUGWWBVEIBE-QGZVFWFLSA-N 2 1 362.474 0.578 20 0 FCADMP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)CN1CC[NH+](C)CC1 ZINC000884235465 1210726002 /nfs/dbraw/zinc/72/60/02/1210726002.db2.gz VVSHKGMUDNTBDH-MRXNPFEDSA-N 2 1 360.506 0.105 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252133 1210726570 /nfs/dbraw/zinc/72/65/70/1210726570.db2.gz BXZXHAVIGLLMQP-HNNXBMFYSA-N 2 1 360.458 0.321 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000884486385 1210737677 /nfs/dbraw/zinc/73/76/77/1210737677.db2.gz VSOWPFGBVXSAEW-PBHICJAKSA-N 2 1 362.474 0.625 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884488743 1210738351 /nfs/dbraw/zinc/73/83/51/1210738351.db2.gz FQEWESYBJPLADR-FGTMMUONSA-N 2 1 356.470 0.730 20 0 FCADMP CCN(C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884513627 1210741612 /nfs/dbraw/zinc/74/16/12/1210741612.db2.gz NFWXZUDNTDTIES-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884513626 1210742148 /nfs/dbraw/zinc/74/21/48/1210742148.db2.gz NFWXZUDNTDTIES-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000884559853 1210750939 /nfs/dbraw/zinc/75/09/39/1210750939.db2.gz GTGGRRWLWCNURC-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000884559853 1210750942 /nfs/dbraw/zinc/75/09/42/1210750942.db2.gz GTGGRRWLWCNURC-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884560216 1210751894 /nfs/dbraw/zinc/75/18/94/1210751894.db2.gz QVEMERPTVIKONC-IRXDYDNUSA-N 2 1 356.470 0.512 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884570150 1210753239 /nfs/dbraw/zinc/75/32/39/1210753239.db2.gz ILKFFCGDMDJKGW-GOSISDBHSA-N 2 1 369.469 0.919 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884576582 1210754421 /nfs/dbraw/zinc/75/44/21/1210754421.db2.gz KXRQEFFGBXKKEF-OTWHNJEPSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884577256 1210755430 /nfs/dbraw/zinc/75/54/30/1210755430.db2.gz ANILWCCKJUWJGK-QLFBSQMISA-N 2 1 374.476 0.832 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884589052 1210757828 /nfs/dbraw/zinc/75/78/28/1210757828.db2.gz RWALBBKNYMAZGU-CWLKWCNXSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884589052 1210757835 /nfs/dbraw/zinc/75/78/35/1210757835.db2.gz RWALBBKNYMAZGU-CWLKWCNXSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884592448 1210757949 /nfs/dbraw/zinc/75/79/49/1210757949.db2.gz OCOXBGVLUHSGHL-BVBHFADKSA-N 2 1 370.497 0.976 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884598217 1210759004 /nfs/dbraw/zinc/75/90/04/1210759004.db2.gz VWOZDSQDJIFMAM-MRXNPFEDSA-N 2 1 367.538 0.025 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000884601585 1210760212 /nfs/dbraw/zinc/76/02/12/1210760212.db2.gz PYKFRNJQIGSBMP-GOSISDBHSA-N 2 1 374.485 0.769 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000884601585 1210760218 /nfs/dbraw/zinc/76/02/18/1210760218.db2.gz PYKFRNJQIGSBMP-GOSISDBHSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604592 1210760920 /nfs/dbraw/zinc/76/09/20/1210760920.db2.gz LOSQIVIINBXSEC-CNTRQJEFSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608924 1210762181 /nfs/dbraw/zinc/76/21/81/1210762181.db2.gz ZMEQKLPYBSZKTP-MDYRTPRTSA-N 2 1 358.486 0.963 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000884622164 1210764680 /nfs/dbraw/zinc/76/46/80/1210764680.db2.gz GPWDZUQLVBFWFD-MRXNPFEDSA-N 2 1 359.474 0.817 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626663 1210765827 /nfs/dbraw/zinc/76/58/27/1210765827.db2.gz RHCUHHHUMILPCR-FGTMMUONSA-N 2 1 356.470 0.560 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627632 1210766675 /nfs/dbraw/zinc/76/66/75/1210766675.db2.gz WSENSWGJCJELCI-IAGOWNOFSA-N 2 1 358.486 0.663 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884670156 1210775575 /nfs/dbraw/zinc/77/55/75/1210775575.db2.gz QFLUZTSSAJKCPV-ULQDDVLXSA-N 2 1 367.538 0.010 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884669939 1210775724 /nfs/dbraw/zinc/77/57/24/1210775724.db2.gz KRLQFLDQDDMYSZ-IAGOWNOFSA-N 2 1 367.538 0.106 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000884673644 1210777306 /nfs/dbraw/zinc/77/73/06/1210777306.db2.gz BZMQOBPIWKYZSS-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000884673644 1210777319 /nfs/dbraw/zinc/77/73/19/1210777319.db2.gz BZMQOBPIWKYZSS-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000884679217 1210778971 /nfs/dbraw/zinc/77/89/71/1210778971.db2.gz ZPKJKJAADJLPAQ-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000884679217 1210778975 /nfs/dbraw/zinc/77/89/75/1210778975.db2.gz ZPKJKJAADJLPAQ-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000884679216 1210779343 /nfs/dbraw/zinc/77/93/43/1210779343.db2.gz ZPKJKJAADJLPAQ-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000884679216 1210779348 /nfs/dbraw/zinc/77/93/48/1210779348.db2.gz ZPKJKJAADJLPAQ-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000884681715 1210779381 /nfs/dbraw/zinc/77/93/81/1210779381.db2.gz DIUZEHMMBNKTNW-MSOLQXFVSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680848 1210779489 /nfs/dbraw/zinc/77/94/89/1210779489.db2.gz COQKBBVXRJPABI-ZWKOTPCHSA-N 2 1 358.486 0.801 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)c1 ZINC000884689962 1210780962 /nfs/dbraw/zinc/78/09/62/1210780962.db2.gz FTLVYJSUUFESQD-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)c1 ZINC000884689962 1210780970 /nfs/dbraw/zinc/78/09/70/1210780970.db2.gz FTLVYJSUUFESQD-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)c1 ZINC000884689068 1210781070 /nfs/dbraw/zinc/78/10/70/1210781070.db2.gz YGIUHNXVTTUQEJ-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)c1 ZINC000884689068 1210781078 /nfs/dbraw/zinc/78/10/78/1210781078.db2.gz YGIUHNXVTTUQEJ-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884691624 1210782752 /nfs/dbraw/zinc/78/27/52/1210782752.db2.gz MTJPOVXIKKXZIQ-LMMKCTJWSA-N 2 1 372.513 0.987 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000884699006 1210783466 /nfs/dbraw/zinc/78/34/66/1210783466.db2.gz WEANZAVGLNJGBN-RHSMWYFYSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000884699006 1210783470 /nfs/dbraw/zinc/78/34/70/1210783470.db2.gz WEANZAVGLNJGBN-RHSMWYFYSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716274 1210786932 /nfs/dbraw/zinc/78/69/32/1210786932.db2.gz SYGGWVJHUBFJJS-MSOLQXFVSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000884808599 1210797900 /nfs/dbraw/zinc/79/79/00/1210797900.db2.gz XCJGNGMPOGPAHQ-KRWDZBQOSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000884824857 1210799828 /nfs/dbraw/zinc/79/98/28/1210799828.db2.gz SJHYBZKVMAWTDO-CGTJXYLNSA-N 2 1 374.485 0.179 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000884824857 1210799836 /nfs/dbraw/zinc/79/98/36/1210799836.db2.gz SJHYBZKVMAWTDO-CGTJXYLNSA-N 2 1 374.485 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884835373 1210800447 /nfs/dbraw/zinc/80/04/47/1210800447.db2.gz QHDGQYDRMWKGJX-BPQIPLTHSA-N 2 1 358.486 0.678 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884833851 1210800467 /nfs/dbraw/zinc/80/04/67/1210800467.db2.gz PWHAAEHESGTPMZ-XYVMCAHJSA-N 2 1 358.486 0.819 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884833582 1210800499 /nfs/dbraw/zinc/80/04/99/1210800499.db2.gz MMRVDYPUZXWAJT-NZSAHSFTSA-N 2 1 372.513 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835498 1210800548 /nfs/dbraw/zinc/80/05/48/1210800548.db2.gz STOZATQGVJSHLZ-NVXWUHKLSA-N 2 1 358.486 0.820 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000884840200 1210800980 /nfs/dbraw/zinc/80/09/80/1210800980.db2.gz GCFCXBHHQUEUBY-GJZGRUSLSA-N 2 1 358.486 0.890 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000884840200 1210800982 /nfs/dbraw/zinc/80/09/82/1210800982.db2.gz GCFCXBHHQUEUBY-GJZGRUSLSA-N 2 1 358.486 0.890 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884884623 1210802945 /nfs/dbraw/zinc/80/29/45/1210802945.db2.gz GRIWGLRRYJVJGK-HNNXBMFYSA-N 2 1 368.522 0.186 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000884911152 1210804083 /nfs/dbraw/zinc/80/40/83/1210804083.db2.gz KHCZZHPHEPVVKD-ULQDDVLXSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CCOC ZINC000884911152 1210804085 /nfs/dbraw/zinc/80/40/85/1210804085.db2.gz KHCZZHPHEPVVKD-ULQDDVLXSA-N 2 1 368.522 0.579 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)C2)cc1 ZINC000884983389 1210806844 /nfs/dbraw/zinc/80/68/44/1210806844.db2.gz QMFPVENXLIJJDW-NXHRZFHOSA-N 2 1 358.486 0.739 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983404 1210807080 /nfs/dbraw/zinc/80/70/80/1210807080.db2.gz QWIDVRPBSZTWOL-MSOLQXFVSA-N 2 1 358.486 0.753 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000885155973 1210813557 /nfs/dbraw/zinc/81/35/57/1210813557.db2.gz HMCUIUHTYXPSSK-GOSISDBHSA-N 2 1 356.470 0.371 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157731 1210813609 /nfs/dbraw/zinc/81/36/09/1210813609.db2.gz QUHBTMDIRPHATR-VQIMIIECSA-N 2 1 372.513 0.911 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885163034 1210814643 /nfs/dbraw/zinc/81/46/43/1210814643.db2.gz WWYUAVRLZGHWGZ-MAUKXSAKSA-N 2 1 358.486 0.617 20 0 FCADMP OCCOCC1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000886753363 1210836396 /nfs/dbraw/zinc/83/63/96/1210836396.db2.gz ILAQPJCXOYJTLK-HXUWFJFHSA-N 2 1 364.486 0.459 20 0 FCADMP OCCOCC1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000886753363 1210836398 /nfs/dbraw/zinc/83/63/98/1210836398.db2.gz ILAQPJCXOYJTLK-HXUWFJFHSA-N 2 1 364.486 0.459 20 0 FCADMP CCN(C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000887001574 1210842087 /nfs/dbraw/zinc/84/20/87/1210842087.db2.gz YCGKMQZLSWKZIR-HNNXBMFYSA-N 2 1 361.446 0.336 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001691714825 1210842725 /nfs/dbraw/zinc/84/27/25/1210842725.db2.gz GPGBGQKKGYKUIF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001691714825 1210842727 /nfs/dbraw/zinc/84/27/27/1210842727.db2.gz GPGBGQKKGYKUIF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081098 1210846282 /nfs/dbraw/zinc/84/62/82/1210846282.db2.gz LNTPAAWGDVSZCN-UXHICEINSA-N 2 1 362.518 0.923 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)CC[C@@H]21 ZINC000887080734 1210846391 /nfs/dbraw/zinc/84/63/91/1210846391.db2.gz DVACNXDIAUZPKR-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274083525 1210875651 /nfs/dbraw/zinc/87/56/51/1210875651.db2.gz IEBREMAZNBDYFP-YRNRMSPPSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001274195846 1210909147 /nfs/dbraw/zinc/90/91/47/1210909147.db2.gz VZFNKUOCOJWLDJ-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC3(C2)CC[N@@H+](Cc2cccc(=O)[nH]2)C3)CC1 ZINC001274204315 1210912153 /nfs/dbraw/zinc/91/21/53/1210912153.db2.gz SZJRJPCHGFFMQK-UHFFFAOYSA-N 2 1 360.458 0.278 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889750723 1210947164 /nfs/dbraw/zinc/94/71/64/1210947164.db2.gz OBJDMPNSFAAIRF-RBUKOAKNSA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750723 1210947169 /nfs/dbraw/zinc/94/71/69/1210947169.db2.gz OBJDMPNSFAAIRF-RBUKOAKNSA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889750723 1210947174 /nfs/dbraw/zinc/94/71/74/1210947174.db2.gz OBJDMPNSFAAIRF-RBUKOAKNSA-N 2 1 366.550 0.850 20 0 FCADMP CN1C[C@@H]2CN(C(=O)C[C@H]3COCC[N@@H+]3Cc3ccccc3)C[C@H](C1)O2 ZINC001274694047 1211103663 /nfs/dbraw/zinc/10/36/63/1211103663.db2.gz HMFNFSCYCBRCLZ-GBESFXJTSA-N 2 1 359.470 0.819 20 0 FCADMP CN1C[C@@H]2CN(C(=O)C[C@H]3COCC[N@H+]3Cc3ccccc3)C[C@H](C1)O2 ZINC001274694047 1211103664 /nfs/dbraw/zinc/10/36/64/1211103664.db2.gz HMFNFSCYCBRCLZ-GBESFXJTSA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC2=O)COCC[N@@H+](CC2CC2)C3)CC1 ZINC001275124513 1211176741 /nfs/dbraw/zinc/17/67/41/1211176741.db2.gz VXHWSMMVFJLQBZ-HXUWFJFHSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC2=O)COCC[N@H+](CC2CC2)C3)CC1 ZINC001275124513 1211176744 /nfs/dbraw/zinc/17/67/44/1211176744.db2.gz VXHWSMMVFJLQBZ-HXUWFJFHSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC2=O)COCC[N@@H+](CC2CC2)C3)CC1 ZINC001275124513 1211176748 /nfs/dbraw/zinc/17/67/48/1211176748.db2.gz VXHWSMMVFJLQBZ-HXUWFJFHSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171636 1211188318 /nfs/dbraw/zinc/18/83/18/1211188318.db2.gz KUALGDMCGSWZLB-FGTMMUONSA-N 2 1 360.506 0.326 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171636 1211188322 /nfs/dbraw/zinc/18/83/22/1211188322.db2.gz KUALGDMCGSWZLB-FGTMMUONSA-N 2 1 360.506 0.326 20 0 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C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000929797411 1211661067 /nfs/dbraw/zinc/66/10/67/1211661067.db2.gz DOLWSCOMYADIPC-ROUUACIJSA-N 2 1 358.486 0.488 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979865 1211683483 /nfs/dbraw/zinc/68/34/83/1211683483.db2.gz GYAFXNVJLBGDBJ-TUVASFSCSA-N 2 1 367.494 0.282 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979865 1211683486 /nfs/dbraw/zinc/68/34/86/1211683486.db2.gz GYAFXNVJLBGDBJ-TUVASFSCSA-N 2 1 367.494 0.282 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393382 1211706309 /nfs/dbraw/zinc/70/63/09/1211706309.db2.gz BEEOKOSMCHLTAB-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393382 1211706312 /nfs/dbraw/zinc/70/63/12/1211706312.db2.gz BEEOKOSMCHLTAB-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000930393382 1211706314 /nfs/dbraw/zinc/70/63/14/1211706314.db2.gz BEEOKOSMCHLTAB-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000930393382 1211706323 /nfs/dbraw/zinc/70/63/23/1211706323.db2.gz BEEOKOSMCHLTAB-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000930958239 1211731705 /nfs/dbraw/zinc/73/17/05/1211731705.db2.gz LEFJQQVVMIFUOB-IAGOWNOFSA-N 2 1 359.474 0.897 20 0 FCADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000931349910 1211752028 /nfs/dbraw/zinc/75/20/28/1211752028.db2.gz AJFWPKHBBXJWQS-UHFFFAOYSA-N 2 1 360.506 0.931 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431587 1211755665 /nfs/dbraw/zinc/75/56/65/1211755665.db2.gz BCMWVQKMUICMEV-YESZJQIVSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431587 1211755668 /nfs/dbraw/zinc/75/56/68/1211755668.db2.gz BCMWVQKMUICMEV-YESZJQIVSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431587 1211755670 /nfs/dbraw/zinc/75/56/70/1211755670.db2.gz BCMWVQKMUICMEV-YESZJQIVSA-N 2 1 374.485 0.836 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876242 1211777801 /nfs/dbraw/zinc/77/78/01/1211777801.db2.gz XRTMOXKVIJHAGF-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876242 1211777804 /nfs/dbraw/zinc/77/78/04/1211777804.db2.gz XRTMOXKVIJHAGF-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931876242 1211777806 /nfs/dbraw/zinc/77/78/06/1211777806.db2.gz XRTMOXKVIJHAGF-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931876242 1211777808 /nfs/dbraw/zinc/77/78/08/1211777808.db2.gz XRTMOXKVIJHAGF-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP CN1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@@H+](C)CC1 ZINC000932144281 1211801007 /nfs/dbraw/zinc/80/10/07/1211801007.db2.gz XTNGFNUDBYCDPA-UHFFFAOYSA-N 2 1 363.510 0.861 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028738 1211804535 /nfs/dbraw/zinc/80/45/35/1211804535.db2.gz OHSNCDDWCDCTIQ-KBXIAJHMSA-N 2 1 364.490 0.491 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028738 1211804536 /nfs/dbraw/zinc/80/45/36/1211804536.db2.gz OHSNCDDWCDCTIQ-KBXIAJHMSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028738 1211804539 /nfs/dbraw/zinc/80/45/39/1211804539.db2.gz OHSNCDDWCDCTIQ-KBXIAJHMSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028738 1211804540 /nfs/dbraw/zinc/80/45/40/1211804540.db2.gz OHSNCDDWCDCTIQ-KBXIAJHMSA-N 2 1 364.490 0.491 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]c1 ZINC000932805267 1211822708 /nfs/dbraw/zinc/82/27/08/1211822708.db2.gz WLEOFXKNHYZNTI-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]c1 ZINC000932805267 1211822709 /nfs/dbraw/zinc/82/27/09/1211822709.db2.gz WLEOFXKNHYZNTI-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000933843663 1211848771 /nfs/dbraw/zinc/84/87/71/1211848771.db2.gz AFZZCHXAZBDPOO-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001111151501 1211901126 /nfs/dbraw/zinc/90/11/26/1211901126.db2.gz CTNOPZVTVSGBQY-VQHPVUNQSA-N 2 1 374.489 0.209 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001111151501 1211901128 /nfs/dbraw/zinc/90/11/28/1211901128.db2.gz CTNOPZVTVSGBQY-VQHPVUNQSA-N 2 1 374.489 0.209 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccnn3C)CC2)O1 ZINC000948542329 1212197088 /nfs/dbraw/zinc/19/70/88/1212197088.db2.gz QCXHOVNHKFJBKO-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccnn3C)CC2)O1 ZINC000948542329 1212197095 /nfs/dbraw/zinc/19/70/95/1212197095.db2.gz QCXHOVNHKFJBKO-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccnn3C)CC2)O1 ZINC000948542329 1212197098 /nfs/dbraw/zinc/19/70/98/1212197098.db2.gz QCXHOVNHKFJBKO-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccnn3C)CC2)O1 ZINC000948542329 1212197106 /nfs/dbraw/zinc/19/71/06/1212197106.db2.gz QCXHOVNHKFJBKO-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277461 1212204118 /nfs/dbraw/zinc/20/41/18/1212204118.db2.gz STNODTSEGIWKRY-ZACQAIPSSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111279633 1212224885 /nfs/dbraw/zinc/22/48/85/1212224885.db2.gz FSJOMDXHMYQITN-KURKYZTESA-N 2 1 363.506 0.800 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001111281283 1212233467 /nfs/dbraw/zinc/23/34/67/1212233467.db2.gz LMGVZQNACREELP-XDNAFOTISA-N 2 1 363.502 0.999 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098887 1212291031 /nfs/dbraw/zinc/29/10/31/1212291031.db2.gz JUKVTUMIBYNHQW-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000949206166 1212323447 /nfs/dbraw/zinc/32/34/47/1212323447.db2.gz RCFAXNOBJIXGSP-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001007479122 1212501517 /nfs/dbraw/zinc/50/15/17/1212501517.db2.gz GDMIUYOTRNNASP-GJYPPUQNSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]cn2)C3)C1 ZINC001007480227 1212502378 /nfs/dbraw/zinc/50/23/78/1212502378.db2.gz SJKJPUYWHWIZHK-DOXZYTNZSA-N 2 1 359.474 0.791 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2cnc[nH]2)C3)C1 ZINC001007480227 1212502380 /nfs/dbraw/zinc/50/23/80/1212502380.db2.gz SJKJPUYWHWIZHK-DOXZYTNZSA-N 2 1 359.474 0.791 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001111307781 1212530277 /nfs/dbraw/zinc/53/02/77/1212530277.db2.gz WTHGQYHWEVEUEI-KURKYZTESA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001111307781 1212530279 /nfs/dbraw/zinc/53/02/79/1212530279.db2.gz WTHGQYHWEVEUEI-KURKYZTESA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001111307781 1212530282 /nfs/dbraw/zinc/53/02/82/1212530282.db2.gz WTHGQYHWEVEUEI-KURKYZTESA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111308510 1212537211 /nfs/dbraw/zinc/53/72/11/1212537211.db2.gz PQOSLXUXIZGOSI-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111308510 1212537214 /nfs/dbraw/zinc/53/72/14/1212537214.db2.gz PQOSLXUXIZGOSI-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111308510 1212537219 /nfs/dbraw/zinc/53/72/19/1212537219.db2.gz PQOSLXUXIZGOSI-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001111308510 1212537222 /nfs/dbraw/zinc/53/72/22/1212537222.db2.gz PQOSLXUXIZGOSI-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1C ZINC000950241370 1212538107 /nfs/dbraw/zinc/53/81/07/1212538107.db2.gz DSKJYCQCVWSMPQ-QLFBSQMISA-N 2 1 359.474 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](C[C@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC000950370581 1212561627 /nfs/dbraw/zinc/56/16/27/1212561627.db2.gz BZAFMZKCCGPHRP-OKZBNKHCSA-N 2 1 363.506 0.507 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](C[C@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC000950370581 1212561631 /nfs/dbraw/zinc/56/16/31/1212561631.db2.gz BZAFMZKCCGPHRP-OKZBNKHCSA-N 2 1 363.506 0.507 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221585098 1225381685 /nfs/dbraw/zinc/38/16/85/1225381685.db2.gz TUZOGDCUJCNNIM-IXDOHACOSA-N 2 1 368.497 0.821 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221585098 1225381689 /nfs/dbraw/zinc/38/16/89/1225381689.db2.gz TUZOGDCUJCNNIM-IXDOHACOSA-N 2 1 368.497 0.821 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C23CCC[NH+]2CCC3)O1 ZINC000950788316 1212671428 /nfs/dbraw/zinc/67/14/28/1212671428.db2.gz GXABOBTVMAJJCB-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C23CCC[NH+]2CCC3)O1 ZINC000950788316 1212671434 /nfs/dbraw/zinc/67/14/34/1212671434.db2.gz GXABOBTVMAJJCB-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001009123640 1212807619 /nfs/dbraw/zinc/80/76/19/1212807619.db2.gz DPCQGBFVWQDXSJ-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001009121406 1212807632 /nfs/dbraw/zinc/80/76/32/1212807632.db2.gz UFCGNVCZFKLDOI-NHMWIVBRSA-N 2 1 359.474 0.352 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001009121406 1212807634 /nfs/dbraw/zinc/80/76/34/1212807634.db2.gz UFCGNVCZFKLDOI-NHMWIVBRSA-N 2 1 359.474 0.352 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221616337 1225400376 /nfs/dbraw/zinc/40/03/76/1225400376.db2.gz KGKWHYSONZZONJ-SUMDDJOVSA-N 2 1 362.518 0.870 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221616337 1225400381 /nfs/dbraw/zinc/40/03/81/1225400381.db2.gz KGKWHYSONZZONJ-SUMDDJOVSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001221641229 1225412946 /nfs/dbraw/zinc/41/29/46/1225412946.db2.gz DDRWAIZAOGEHSL-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001221641229 1225412951 /nfs/dbraw/zinc/41/29/51/1225412951.db2.gz DDRWAIZAOGEHSL-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)CC[N@H+]1C ZINC000952293812 1212934630 /nfs/dbraw/zinc/93/46/30/1212934630.db2.gz NUSSBNRNLRLUAG-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000952293812 1212934635 /nfs/dbraw/zinc/93/46/35/1212934635.db2.gz NUSSBNRNLRLUAG-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000952293812 1212934638 /nfs/dbraw/zinc/93/46/38/1212934638.db2.gz NUSSBNRNLRLUAG-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000952293812 1212934641 /nfs/dbraw/zinc/93/46/41/1212934641.db2.gz NUSSBNRNLRLUAG-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000952293812 1212934643 /nfs/dbraw/zinc/93/46/43/1212934643.db2.gz NUSSBNRNLRLUAG-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221662348 1225423924 /nfs/dbraw/zinc/42/39/24/1225423924.db2.gz IVTYMXJLMDOOMA-BPQIPLTHSA-N 2 1 371.485 0.671 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221662348 1225423927 /nfs/dbraw/zinc/42/39/27/1225423927.db2.gz IVTYMXJLMDOOMA-BPQIPLTHSA-N 2 1 371.485 0.671 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221657039 1225420985 /nfs/dbraw/zinc/42/09/85/1225420985.db2.gz GWFZVIQKTYIBLC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221657039 1225420989 /nfs/dbraw/zinc/42/09/89/1225420989.db2.gz GWFZVIQKTYIBLC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221657039 1225420992 /nfs/dbraw/zinc/42/09/92/1225420992.db2.gz GWFZVIQKTYIBLC-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000954647656 1213096679 /nfs/dbraw/zinc/09/66/79/1213096679.db2.gz DBNNKHPXDWWSIY-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000954647656 1213096683 /nfs/dbraw/zinc/09/66/83/1213096683.db2.gz DBNNKHPXDWWSIY-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000954648444 1213098036 /nfs/dbraw/zinc/09/80/36/1213098036.db2.gz KDSPUSSBBLKURA-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000954648444 1213098039 /nfs/dbraw/zinc/09/80/39/1213098039.db2.gz KDSPUSSBBLKURA-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000954648444 1213098041 /nfs/dbraw/zinc/09/80/41/1213098041.db2.gz KDSPUSSBBLKURA-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954648444 1213098045 /nfs/dbraw/zinc/09/80/45/1213098045.db2.gz KDSPUSSBBLKURA-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954648444 1213098049 /nfs/dbraw/zinc/09/80/49/1213098049.db2.gz KDSPUSSBBLKURA-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H](CC(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)n1ccnc1 ZINC000954649770 1213098895 /nfs/dbraw/zinc/09/88/95/1213098895.db2.gz WHOXBTQVYVPCOW-SQWLQELKSA-N 2 1 363.462 0.223 20 0 FCADMP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000957091559 1213250021 /nfs/dbraw/zinc/25/00/21/1213250021.db2.gz BRRFYCCMVMNMQF-UNEWFSDZSA-N 2 1 359.474 0.819 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001221682636 1225439603 /nfs/dbraw/zinc/43/96/03/1225439603.db2.gz FQYVTROIYROWIL-UWWQBHOKSA-N 2 1 371.441 0.421 20 0 FCADMP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701590 1225447961 /nfs/dbraw/zinc/44/79/61/1225447961.db2.gz WBJFVHQKBKNXIY-MOXMWUHRSA-N 2 1 363.502 0.809 20 0 FCADMP COCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701590 1225447962 /nfs/dbraw/zinc/44/79/62/1225447962.db2.gz WBJFVHQKBKNXIY-MOXMWUHRSA-N 2 1 363.502 0.809 20 0 FCADMP COCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701590 1225447967 /nfs/dbraw/zinc/44/79/67/1225447967.db2.gz WBJFVHQKBKNXIY-MOXMWUHRSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc5c(c4)nnn5C)C[C@H]32)CC[N@H+]1C ZINC000959970798 1213566092 /nfs/dbraw/zinc/56/60/92/1213566092.db2.gz DBLKAKFBQDOKBH-MNWSSHAISA-N 2 1 368.485 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc5c(c4)nnn5C)C[C@H]32)CC[NH+]1C ZINC000959970798 1213566097 /nfs/dbraw/zinc/56/60/97/1213566097.db2.gz DBLKAKFBQDOKBH-MNWSSHAISA-N 2 1 368.485 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc5c(c4)nnn5C)C[C@H]32)CC[NH+]1C ZINC000959970798 1213566100 /nfs/dbraw/zinc/56/61/00/1213566100.db2.gz DBLKAKFBQDOKBH-MNWSSHAISA-N 2 1 368.485 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001010667851 1213807289 /nfs/dbraw/zinc/80/72/89/1213807289.db2.gz QTFBWABQWOTVMX-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001010667851 1213807291 /nfs/dbraw/zinc/80/72/91/1213807291.db2.gz QTFBWABQWOTVMX-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001010667851 1213807292 /nfs/dbraw/zinc/80/72/92/1213807292.db2.gz QTFBWABQWOTVMX-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21)C1CCC1 ZINC000960532434 1213808266 /nfs/dbraw/zinc/80/82/66/1213808266.db2.gz MGYXNDCWSBTIAE-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221777234 1225478283 /nfs/dbraw/zinc/47/82/83/1225478283.db2.gz ZKTIJTVJQBULIT-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221777234 1225478287 /nfs/dbraw/zinc/47/82/87/1225478287.db2.gz ZKTIJTVJQBULIT-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813430 1225488725 /nfs/dbraw/zinc/48/87/25/1225488725.db2.gz JNNXNZLJCFSLIF-GVDBMIGSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813430 1225488729 /nfs/dbraw/zinc/48/87/29/1225488729.db2.gz JNNXNZLJCFSLIF-GVDBMIGSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813430 1225488733 /nfs/dbraw/zinc/48/87/33/1225488733.db2.gz JNNXNZLJCFSLIF-GVDBMIGSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813430 1225488737 /nfs/dbraw/zinc/48/87/37/1225488737.db2.gz JNNXNZLJCFSLIF-GVDBMIGSSA-N 2 1 365.522 0.711 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C(C)(C)C)C2 ZINC001276825476 1225496352 /nfs/dbraw/zinc/49/63/52/1225496352.db2.gz UIFOVXZZROBOPL-LPHOPBHVSA-N 2 1 364.490 0.878 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151596 1214076733 /nfs/dbraw/zinc/07/67/33/1214076733.db2.gz FVSZJMPLWYLYHT-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151596 1214076735 /nfs/dbraw/zinc/07/67/35/1214076735.db2.gz FVSZJMPLWYLYHT-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151596 1214076739 /nfs/dbraw/zinc/07/67/39/1214076739.db2.gz FVSZJMPLWYLYHT-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151596 1214076743 /nfs/dbraw/zinc/07/67/43/1214076743.db2.gz FVSZJMPLWYLYHT-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001017489070 1214103616 /nfs/dbraw/zinc/10/36/16/1214103616.db2.gz ORSRYWBTTJMEBK-JFIYKMOQSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001017489070 1214103622 /nfs/dbraw/zinc/10/36/22/1214103622.db2.gz ORSRYWBTTJMEBK-JFIYKMOQSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001017489070 1214103624 /nfs/dbraw/zinc/10/36/24/1214103624.db2.gz ORSRYWBTTJMEBK-JFIYKMOQSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001019207866 1214216939 /nfs/dbraw/zinc/21/69/39/1214216939.db2.gz XRYMVQDGRHLXQV-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019207866 1214216945 /nfs/dbraw/zinc/21/69/45/1214216945.db2.gz XRYMVQDGRHLXQV-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019207866 1214216948 /nfs/dbraw/zinc/21/69/48/1214216948.db2.gz XRYMVQDGRHLXQV-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC000961664407 1214260449 /nfs/dbraw/zinc/26/04/49/1214260449.db2.gz ANDAVIHNMJGZLS-HSFUPAIVSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961664407 1214260452 /nfs/dbraw/zinc/26/04/52/1214260452.db2.gz ANDAVIHNMJGZLS-HSFUPAIVSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961664407 1214260458 /nfs/dbraw/zinc/26/04/58/1214260458.db2.gz ANDAVIHNMJGZLS-HSFUPAIVSA-N 2 1 362.518 0.728 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)cc1 ZINC001221871067 1225515564 /nfs/dbraw/zinc/51/55/64/1225515564.db2.gz VTEQEJZZEBTHOL-RTBURBONSA-N 2 1 361.486 0.903 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@H+]1C ZINC001020172208 1214316216 /nfs/dbraw/zinc/31/62/16/1214316216.db2.gz QTCCJUJUHPPULO-KCYZZUKISA-N 2 1 369.473 0.739 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@@H+]1C ZINC001020174126 1214317567 /nfs/dbraw/zinc/31/75/67/1214317567.db2.gz WUVAVKBNRRKGLH-ZQDZILKHSA-N 2 1 365.478 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@H+]1C ZINC001020174126 1214317574 /nfs/dbraw/zinc/31/75/74/1214317574.db2.gz WUVAVKBNRRKGLH-ZQDZILKHSA-N 2 1 365.478 0.726 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961831875 1214321928 /nfs/dbraw/zinc/32/19/28/1214321928.db2.gz CEALOSHOGLOPRK-JGLNRKDHSA-N 2 1 370.497 0.466 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000961831875 1214321938 /nfs/dbraw/zinc/32/19/38/1214321938.db2.gz CEALOSHOGLOPRK-JGLNRKDHSA-N 2 1 370.497 0.466 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000961831875 1214321944 /nfs/dbraw/zinc/32/19/44/1214321944.db2.gz CEALOSHOGLOPRK-JGLNRKDHSA-N 2 1 370.497 0.466 20 0 FCADMP COc1coc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC000961856012 1214337022 /nfs/dbraw/zinc/33/70/22/1214337022.db2.gz DULOGGKQUXZMEA-UWLZSVRSSA-N 2 1 363.458 0.973 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001020346241 1214338311 /nfs/dbraw/zinc/33/83/11/1214338311.db2.gz NWAQEJCBJIGUFY-YQFWSFKMSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001020346241 1214338316 /nfs/dbraw/zinc/33/83/16/1214338316.db2.gz NWAQEJCBJIGUFY-YQFWSFKMSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC001020346241 1214338322 /nfs/dbraw/zinc/33/83/22/1214338322.db2.gz NWAQEJCBJIGUFY-YQFWSFKMSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC001020346241 1214338331 /nfs/dbraw/zinc/33/83/31/1214338331.db2.gz NWAQEJCBJIGUFY-YQFWSFKMSA-N 2 1 366.506 0.295 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136798 1214372843 /nfs/dbraw/zinc/37/28/43/1214372843.db2.gz PINYKYYGKBRIIF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136798 1214372847 /nfs/dbraw/zinc/37/28/47/1214372847.db2.gz PINYKYYGKBRIIF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136798 1214372852 /nfs/dbraw/zinc/37/28/52/1214372852.db2.gz PINYKYYGKBRIIF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136798 1214372857 /nfs/dbraw/zinc/37/28/57/1214372857.db2.gz PINYKYYGKBRIIF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000961990616 1214394777 /nfs/dbraw/zinc/39/47/77/1214394777.db2.gz NEAGUMBYZCJHCE-LHUBUQBQSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000961990616 1214394781 /nfs/dbraw/zinc/39/47/81/1214394781.db2.gz NEAGUMBYZCJHCE-LHUBUQBQSA-N 2 1 362.474 0.089 20 0 FCADMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000961991244 1214395196 /nfs/dbraw/zinc/39/51/96/1214395196.db2.gz QDBFZGWVQCKOEK-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000961991244 1214395203 /nfs/dbraw/zinc/39/52/03/1214395203.db2.gz QDBFZGWVQCKOEK-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040182888 1214472699 /nfs/dbraw/zinc/47/26/99/1214472699.db2.gz WFPUEJFMQPCOEJ-CLCXKQKWSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040182888 1214472710 /nfs/dbraw/zinc/47/27/10/1214472710.db2.gz WFPUEJFMQPCOEJ-CLCXKQKWSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040182888 1214472712 /nfs/dbraw/zinc/47/27/12/1214472712.db2.gz WFPUEJFMQPCOEJ-CLCXKQKWSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001040428927 1214508845 /nfs/dbraw/zinc/50/88/45/1214508845.db2.gz DGCRKRKXFCVNDW-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745495 1214580405 /nfs/dbraw/zinc/58/04/05/1214580405.db2.gz MPIWZOKKKFTFJL-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745495 1214580411 /nfs/dbraw/zinc/58/04/11/1214580411.db2.gz MPIWZOKKKFTFJL-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001221946940 1225546729 /nfs/dbraw/zinc/54/67/29/1225546729.db2.gz KCODJVQCJCTEPJ-BPQIPLTHSA-N 2 1 364.490 0.529 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950738 1225550188 /nfs/dbraw/zinc/55/01/88/1225550188.db2.gz WDAPMEMHUFWJBM-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950738 1225550193 /nfs/dbraw/zinc/55/01/93/1225550193.db2.gz WDAPMEMHUFWJBM-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000963067526 1214724145 /nfs/dbraw/zinc/72/41/45/1214724145.db2.gz HJDVTJQUWNMUDK-IKGGRYGDSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000963067526 1214724146 /nfs/dbraw/zinc/72/41/46/1214724146.db2.gz HJDVTJQUWNMUDK-IKGGRYGDSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000963067526 1214724152 /nfs/dbraw/zinc/72/41/52/1214724152.db2.gz HJDVTJQUWNMUDK-IKGGRYGDSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000963338030 1214797976 /nfs/dbraw/zinc/79/79/76/1214797976.db2.gz NUQVGZQZHLSCFI-XSCHDIRWSA-N 2 1 364.494 0.308 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCn2cncn2)C3)O1 ZINC000964032682 1214891473 /nfs/dbraw/zinc/89/14/73/1214891473.db2.gz ZVHNMEFOUONZRE-ZHIXCNEBSA-N 2 1 362.478 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCn2cncn2)C3)O1 ZINC000964032682 1214891474 /nfs/dbraw/zinc/89/14/74/1214891474.db2.gz ZVHNMEFOUONZRE-ZHIXCNEBSA-N 2 1 362.478 0.014 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000967994211 1215269236 /nfs/dbraw/zinc/26/92/36/1215269236.db2.gz UCMCBSPITDDNJZ-ZTFGCOKTSA-N 2 1 362.518 0.728 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001222046559 1225589462 /nfs/dbraw/zinc/58/94/62/1225589462.db2.gz KCLMWZKSRKLKKF-OWCLPIDISA-N 2 1 362.474 0.200 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001222046559 1225589465 /nfs/dbraw/zinc/58/94/65/1225589465.db2.gz KCLMWZKSRKLKKF-OWCLPIDISA-N 2 1 362.474 0.200 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001222093749 1225598417 /nfs/dbraw/zinc/59/84/17/1225598417.db2.gz OBUIFWCVHKQVOK-RTBURBONSA-N 2 1 361.486 0.660 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001222093749 1225598423 /nfs/dbraw/zinc/59/84/23/1225598423.db2.gz OBUIFWCVHKQVOK-RTBURBONSA-N 2 1 361.486 0.660 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001222093749 1225598426 /nfs/dbraw/zinc/59/84/26/1225598426.db2.gz OBUIFWCVHKQVOK-RTBURBONSA-N 2 1 361.486 0.660 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001222093749 1225598432 /nfs/dbraw/zinc/59/84/32/1225598432.db2.gz OBUIFWCVHKQVOK-RTBURBONSA-N 2 1 361.486 0.660 20 0 FCADMP c1c(C[N@H+]2CCOC[C@@]3(CNCCO3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222191532 1225609868 /nfs/dbraw/zinc/60/98/68/1225609868.db2.gz MTNJWZQQNPQYOI-HXUWFJFHSA-N 2 1 356.470 0.935 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222463470 1225625739 /nfs/dbraw/zinc/62/57/39/1225625739.db2.gz OTLKPWMQNUFADK-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222463470 1225625743 /nfs/dbraw/zinc/62/57/43/1225625743.db2.gz OTLKPWMQNUFADK-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222463470 1225625744 /nfs/dbraw/zinc/62/57/44/1225625744.db2.gz OTLKPWMQNUFADK-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222463470 1225625746 /nfs/dbraw/zinc/62/57/46/1225625746.db2.gz OTLKPWMQNUFADK-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP O=C1NCC[C@@]12C[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520792 1225630988 /nfs/dbraw/zinc/63/09/88/1225630988.db2.gz JXCRYWBSOBKVNZ-HXUWFJFHSA-N 3 1 355.486 0.008 20 0 FCADMP O=C1NCC[C@@]12CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520792 1225630992 /nfs/dbraw/zinc/63/09/92/1225630992.db2.gz JXCRYWBSOBKVNZ-HXUWFJFHSA-N 2 1 355.486 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3(CF)CC3)CC2)CC[N@H+]1C ZINC001055640827 1215894251 /nfs/dbraw/zinc/89/42/51/1215894251.db2.gz IOLPXJRJYZCUSK-GDBMZVCRSA-N 2 1 368.497 0.773 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055643184 1215894554 /nfs/dbraw/zinc/89/45/54/1215894554.db2.gz YDDVTONCZRZJIT-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055646977 1215897350 /nfs/dbraw/zinc/89/73/50/1215897350.db2.gz KMUDIWONGQNWNX-QAPCUYQASA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001055650940 1215898416 /nfs/dbraw/zinc/89/84/16/1215898416.db2.gz BSZQDWPBIHMAFO-NVXWUHKLSA-N 2 1 361.490 0.934 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056032532 1215939830 /nfs/dbraw/zinc/93/98/30/1215939830.db2.gz MKWXLDPOFAFHDH-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001056032532 1215939834 /nfs/dbraw/zinc/93/98/34/1215939834.db2.gz MKWXLDPOFAFHDH-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001056032532 1215939840 /nfs/dbraw/zinc/93/98/40/1215939840.db2.gz MKWXLDPOFAFHDH-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CC(=O)NC4CC4)CC3)CC2)CC[N@H+]1C ZINC001000162414 1216013990 /nfs/dbraw/zinc/01/39/90/1216013990.db2.gz WCMLPIGJBMAXOM-RHSMWYFYSA-N 2 1 362.518 0.966 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000190679 1216018988 /nfs/dbraw/zinc/01/89/88/1216018988.db2.gz SNRRVNHBSOSRDS-IIAWOOMASA-N 2 1 366.506 0.201 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000190679 1216018993 /nfs/dbraw/zinc/01/89/93/1216018993.db2.gz SNRRVNHBSOSRDS-IIAWOOMASA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001000695263 1216106761 /nfs/dbraw/zinc/10/67/61/1216106761.db2.gz JOZHWHOREXSIJU-ARFHVFGLSA-N 2 1 362.474 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001000695263 1216106764 /nfs/dbraw/zinc/10/67/64/1216106764.db2.gz JOZHWHOREXSIJU-ARFHVFGLSA-N 2 1 362.474 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001000695263 1216106768 /nfs/dbraw/zinc/10/67/68/1216106768.db2.gz JOZHWHOREXSIJU-ARFHVFGLSA-N 2 1 362.474 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001000695263 1216106771 /nfs/dbraw/zinc/10/67/71/1216106771.db2.gz JOZHWHOREXSIJU-ARFHVFGLSA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001000700979 1216108135 /nfs/dbraw/zinc/10/81/35/1216108135.db2.gz AYTBVVALKKXKQC-HYVNUMGLSA-N 2 1 358.490 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@@H]3CCc4ncnn43)CC2)CC[NH+]1C ZINC001000700979 1216108138 /nfs/dbraw/zinc/10/81/38/1216108138.db2.gz AYTBVVALKKXKQC-HYVNUMGLSA-N 2 1 358.490 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@@H]3CCc4ncnn43)CC2)CC[NH+]1C ZINC001000700979 1216108139 /nfs/dbraw/zinc/10/81/39/1216108139.db2.gz AYTBVVALKKXKQC-HYVNUMGLSA-N 2 1 358.490 0.854 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001001523430 1216233104 /nfs/dbraw/zinc/23/31/04/1216233104.db2.gz UEZYXCHULXCYAD-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001001523430 1216233117 /nfs/dbraw/zinc/23/31/17/1216233117.db2.gz UEZYXCHULXCYAD-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001001533020 1216238156 /nfs/dbraw/zinc/23/81/56/1216238156.db2.gz NTQNXCDEKHDQMD-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001001533020 1216238171 /nfs/dbraw/zinc/23/81/71/1216238171.db2.gz NTQNXCDEKHDQMD-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)CC2)CC[N@@H+]1C ZINC001050327553 1216307729 /nfs/dbraw/zinc/30/77/29/1216307729.db2.gz AHJLPACFJXBTNG-YHUYYLMFSA-N 2 1 363.510 0.705 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)CC2)CC[N@H+]1C ZINC001050327553 1216307736 /nfs/dbraw/zinc/30/77/36/1216307736.db2.gz AHJLPACFJXBTNG-YHUYYLMFSA-N 2 1 363.510 0.705 20 0 FCADMP CC[C@@H](C)[N@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001276850829 1225668269 /nfs/dbraw/zinc/66/82/69/1225668269.db2.gz GPLVNQCSCXIOOT-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959316 1225670002 /nfs/dbraw/zinc/67/00/02/1225670002.db2.gz WBMJZJHUVGOUCB-ZJPYXAASSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959316 1225670003 /nfs/dbraw/zinc/67/00/03/1225670003.db2.gz WBMJZJHUVGOUCB-ZJPYXAASSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959316 1225670005 /nfs/dbraw/zinc/67/00/05/1225670005.db2.gz WBMJZJHUVGOUCB-ZJPYXAASSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959316 1225670007 /nfs/dbraw/zinc/67/00/07/1225670007.db2.gz WBMJZJHUVGOUCB-ZJPYXAASSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959316 1225670008 /nfs/dbraw/zinc/67/00/08/1225670008.db2.gz WBMJZJHUVGOUCB-ZJPYXAASSA-N 2 1 369.506 0.291 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)c1 ZINC001051622760 1216467529 /nfs/dbraw/zinc/46/75/29/1216467529.db2.gz XRVZWPNWEVDMCB-ZTFGCOKTSA-N 2 1 362.474 0.747 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051623335 1216468377 /nfs/dbraw/zinc/46/83/77/1216468377.db2.gz FLVMHSXYIYYQQB-VNQPRFMTSA-N 2 1 363.462 0.142 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001051624210 1216468400 /nfs/dbraw/zinc/46/84/00/1216468400.db2.gz NGFCOHCNSRANHQ-OKZBNKHCSA-N 2 1 363.506 0.776 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738648 1216529243 /nfs/dbraw/zinc/52/92/43/1216529243.db2.gz DPYQHTHSXVSXAJ-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738648 1216529252 /nfs/dbraw/zinc/52/92/52/1216529252.db2.gz DPYQHTHSXVSXAJ-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738648 1216529259 /nfs/dbraw/zinc/52/92/59/1216529259.db2.gz DPYQHTHSXVSXAJ-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490898 1216561129 /nfs/dbraw/zinc/56/11/29/1216561129.db2.gz WHTAAPANPJCQQE-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490898 1216561135 /nfs/dbraw/zinc/56/11/35/1216561135.db2.gz WHTAAPANPJCQQE-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490898 1216561142 /nfs/dbraw/zinc/56/11/42/1216561142.db2.gz WHTAAPANPJCQQE-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)CC2)O1 ZINC001052490898 1216561145 /nfs/dbraw/zinc/56/11/45/1216561145.db2.gz WHTAAPANPJCQQE-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487846 1216562627 /nfs/dbraw/zinc/56/26/27/1216562627.db2.gz DBPKUEPJURIQKN-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487846 1216562633 /nfs/dbraw/zinc/56/26/33/1216562633.db2.gz DBPKUEPJURIQKN-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487846 1216562639 /nfs/dbraw/zinc/56/26/39/1216562639.db2.gz DBPKUEPJURIQKN-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487846 1216562645 /nfs/dbraw/zinc/56/26/45/1216562645.db2.gz DBPKUEPJURIQKN-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP CN(C(=O)c1cccc(-n2cncn2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000827347654 1216589303 /nfs/dbraw/zinc/58/93/03/1216589303.db2.gz SBAZKQGISUJPQB-MRXNPFEDSA-N 2 1 369.473 0.903 20 0 FCADMP CN(C(=O)c1cccc(-n2cncn2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000827347654 1216589307 /nfs/dbraw/zinc/58/93/07/1216589307.db2.gz SBAZKQGISUJPQB-MRXNPFEDSA-N 2 1 369.473 0.903 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223116078 1225682393 /nfs/dbraw/zinc/68/23/93/1225682393.db2.gz RLLNGTZFPXGVPF-QAPCUYQASA-N 2 1 358.442 0.880 20 0 FCADMP C[C@H](CCN1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCN(CCO)C(C)(C)C1 ZINC000682035197 1216656322 /nfs/dbraw/zinc/65/63/22/1216656322.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@H](CCN1CC[NH+](CCO)C(C)(C)C1)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682035197 1216656325 /nfs/dbraw/zinc/65/63/25/1216656325.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@H](CCN1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682035197 1216656328 /nfs/dbraw/zinc/65/63/28/1216656328.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@H](CC[N@@H+]1CCN(CCO)C(C)(C)C1)N1CC[NH+](CCO)C(C)(C)C1 ZINC000682035197 1216656332 /nfs/dbraw/zinc/65/63/32/1216656332.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@H](CC[N@H+]1CCN(CCO)C(C)(C)C1)N1CC[NH+](CCO)C(C)(C)C1 ZINC000682035197 1216656337 /nfs/dbraw/zinc/65/63/37/1216656337.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@H](CC[NH+]1CCN(CCO)C(C)(C)C1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035197 1216656339 /nfs/dbraw/zinc/65/63/39/1216656339.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@H](CC[NH+]1CCN(CCO)C(C)(C)C1)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682035197 1216656344 /nfs/dbraw/zinc/65/63/44/1216656344.db2.gz STCJOEIOHJQCSW-GOSISDBHSA-N 2 1 370.582 0.542 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001067539498 1216686359 /nfs/dbraw/zinc/68/63/59/1216686359.db2.gz ZHILCTZDYLLIOK-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001067539498 1216686360 /nfs/dbraw/zinc/68/63/60/1216686360.db2.gz ZHILCTZDYLLIOK-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001067539498 1216686361 /nfs/dbraw/zinc/68/63/61/1216686361.db2.gz ZHILCTZDYLLIOK-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001067539498 1216686363 /nfs/dbraw/zinc/68/63/63/1216686363.db2.gz ZHILCTZDYLLIOK-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)O1 ZINC001067635991 1216690993 /nfs/dbraw/zinc/69/09/93/1216690993.db2.gz FTVPGLBDNIXHPP-HZPDHXFCSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)O1 ZINC001067635991 1216690995 /nfs/dbraw/zinc/69/09/95/1216690995.db2.gz FTVPGLBDNIXHPP-HZPDHXFCSA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068873504 1216763932 /nfs/dbraw/zinc/76/39/32/1216763932.db2.gz BISXLLGEAGDVRS-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046837 1216921879 /nfs/dbraw/zinc/92/18/79/1216921879.db2.gz REBWOCQMNDPURI-UAGQMJEPSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)[C@H]2C1 ZINC001223431316 1225706042 /nfs/dbraw/zinc/70/60/42/1225706042.db2.gz XNLVFKZJZDKYRJ-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)[C@H]2C1 ZINC001223431316 1225706047 /nfs/dbraw/zinc/70/60/47/1225706047.db2.gz XNLVFKZJZDKYRJ-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223697717 1225727599 /nfs/dbraw/zinc/72/75/99/1225727599.db2.gz ILGAGGUPEROXRL-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223721849 1225730422 /nfs/dbraw/zinc/73/04/22/1225730422.db2.gz MOTDMZTXWQDGFM-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223721849 1225730426 /nfs/dbraw/zinc/73/04/26/1225730426.db2.gz MOTDMZTXWQDGFM-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846318 1225739740 /nfs/dbraw/zinc/73/97/40/1225739740.db2.gz DCVJBQFNWROGNA-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846318 1225739744 /nfs/dbraw/zinc/73/97/44/1225739744.db2.gz DCVJBQFNWROGNA-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846318 1225739749 /nfs/dbraw/zinc/73/97/49/1225739749.db2.gz DCVJBQFNWROGNA-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916961 1225746774 /nfs/dbraw/zinc/74/67/74/1225746774.db2.gz WOZSSKAWQJXFMK-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916961 1225746778 /nfs/dbraw/zinc/74/67/78/1225746778.db2.gz WOZSSKAWQJXFMK-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985031 1225750298 /nfs/dbraw/zinc/75/02/98/1225750298.db2.gz NVQADHGHWSCADE-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985031 1225750303 /nfs/dbraw/zinc/75/03/03/1225750303.db2.gz NVQADHGHWSCADE-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985031 1225750308 /nfs/dbraw/zinc/75/03/08/1225750308.db2.gz NVQADHGHWSCADE-KURKYZTESA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001043271293 1217623454 /nfs/dbraw/zinc/62/34/54/1217623454.db2.gz FNKFETFIFSDXCR-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044334698 1217836605 /nfs/dbraw/zinc/83/66/05/1217836605.db2.gz ZJNBTTNWOYRYMX-RYRKJORJSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001045445140 1217929861 /nfs/dbraw/zinc/92/98/61/1217929861.db2.gz VGSOZBUSJRHBAV-IXDOHACOSA-N 2 1 363.506 0.555 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276981866 1225784920 /nfs/dbraw/zinc/78/49/20/1225784920.db2.gz IKUZEJDUKABAAW-YLJYHZDGSA-N 2 1 358.486 0.612 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686718 1218023850 /nfs/dbraw/zinc/02/38/50/1218023850.db2.gz OMOMLDKYCSARBY-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686718 1218023853 /nfs/dbraw/zinc/02/38/53/1218023853.db2.gz OMOMLDKYCSARBY-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000900724697 1218030735 /nfs/dbraw/zinc/03/07/35/1218030735.db2.gz AYCMDGPKEQCWFR-IBGZPJMESA-N 2 1 365.566 0.641 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000900724697 1218030740 /nfs/dbraw/zinc/03/07/40/1218030740.db2.gz AYCMDGPKEQCWFR-IBGZPJMESA-N 2 1 365.566 0.641 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000900724697 1218030742 /nfs/dbraw/zinc/03/07/42/1218030742.db2.gz AYCMDGPKEQCWFR-IBGZPJMESA-N 2 1 365.566 0.641 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCC2(F)F)CC[N@H+]1C ZINC001046944236 1218089028 /nfs/dbraw/zinc/08/90/28/1218089028.db2.gz LFPDGQZURZSGGE-RBSFLKMASA-N 2 1 370.448 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)CCC2(F)F)CC[NH+]1C ZINC001046944236 1218089033 /nfs/dbraw/zinc/08/90/33/1218089033.db2.gz LFPDGQZURZSGGE-RBSFLKMASA-N 2 1 370.448 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)CCC2(F)F)CC[NH+]1C ZINC001046944236 1218089039 /nfs/dbraw/zinc/08/90/39/1218089039.db2.gz LFPDGQZURZSGGE-RBSFLKMASA-N 2 1 370.448 0.692 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001047386257 1218137864 /nfs/dbraw/zinc/13/78/64/1218137864.db2.gz PUNKVXIBQVBVQG-OJLVUWQFSA-N 2 1 365.478 0.154 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001047386257 1218137868 /nfs/dbraw/zinc/13/78/68/1218137868.db2.gz PUNKVXIBQVBVQG-OJLVUWQFSA-N 2 1 365.478 0.154 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001047386257 1218137872 /nfs/dbraw/zinc/13/78/72/1218137872.db2.gz PUNKVXIBQVBVQG-OJLVUWQFSA-N 2 1 365.478 0.154 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)CC[N@H+]1C ZINC001047386509 1218138133 /nfs/dbraw/zinc/13/81/33/1218138133.db2.gz XVFCFNADAGDDEP-MHORFTMASA-N 2 1 363.506 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)CC[NH+]1C ZINC001047386509 1218138138 /nfs/dbraw/zinc/13/81/38/1218138138.db2.gz XVFCFNADAGDDEP-MHORFTMASA-N 2 1 363.506 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)CC[NH+]1C ZINC001047386509 1218138145 /nfs/dbraw/zinc/13/81/45/1218138145.db2.gz XVFCFNADAGDDEP-MHORFTMASA-N 2 1 363.506 0.196 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001096355863 1218262405 /nfs/dbraw/zinc/26/24/05/1218262405.db2.gz FHOSZNZVXPRACX-WCVJEAGWSA-N 2 1 356.474 0.583 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC001048611244 1218296351 /nfs/dbraw/zinc/29/63/51/1218296351.db2.gz QJMYYBONLYAIRN-OVYGPGRDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)O1 ZINC001048611244 1218296357 /nfs/dbraw/zinc/29/63/57/1218296357.db2.gz QJMYYBONLYAIRN-OVYGPGRDSA-N 2 1 366.506 0.106 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891304 1218336460 /nfs/dbraw/zinc/33/64/60/1218336460.db2.gz NNNCGOCTCCKLCQ-GYFISPQKSA-N 2 1 365.518 0.911 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891304 1218336464 /nfs/dbraw/zinc/33/64/64/1218336464.db2.gz NNNCGOCTCCKLCQ-GYFISPQKSA-N 2 1 365.518 0.911 20 0 FCADMP CO[C@@H](C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891304 1218336471 /nfs/dbraw/zinc/33/64/71/1218336471.db2.gz NNNCGOCTCCKLCQ-GYFISPQKSA-N 2 1 365.518 0.911 20 0 FCADMP CO[C@@H](C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891304 1218336476 /nfs/dbraw/zinc/33/64/76/1218336476.db2.gz NNNCGOCTCCKLCQ-GYFISPQKSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@H](c1cnccn1)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890450 1218337185 /nfs/dbraw/zinc/33/71/85/1218337185.db2.gz ICIYHYSERJXEMQ-MAPUTHEBSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890450 1218337191 /nfs/dbraw/zinc/33/71/91/1218337191.db2.gz ICIYHYSERJXEMQ-MAPUTHEBSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@H](c1cnccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890450 1218337197 /nfs/dbraw/zinc/33/71/97/1218337197.db2.gz ICIYHYSERJXEMQ-MAPUTHEBSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@H](c1cnccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890450 1218337202 /nfs/dbraw/zinc/33/72/02/1218337202.db2.gz ICIYHYSERJXEMQ-MAPUTHEBSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048923259 1218341793 /nfs/dbraw/zinc/34/17/93/1218341793.db2.gz MICPQWDWNBZVIJ-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCCC2)C1 ZINC001225526091 1225815023 /nfs/dbraw/zinc/81/50/23/1225815023.db2.gz XCQFRDUBDSFXJD-BRWVUGGUSA-N 2 1 366.506 0.393 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCCC2)C1 ZINC001225526091 1225815025 /nfs/dbraw/zinc/81/50/25/1225815025.db2.gz XCQFRDUBDSFXJD-BRWVUGGUSA-N 2 1 366.506 0.393 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541321 1218429046 /nfs/dbraw/zinc/42/90/46/1218429046.db2.gz NCJNIGWCZKTFCE-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP O=C1[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCN1C1CCOCC1 ZINC000903508380 1218430909 /nfs/dbraw/zinc/43/09/09/1218430909.db2.gz DZUVIWJGUXMOTB-OTWHNJEPSA-N 2 1 362.518 0.667 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734082 1218510944 /nfs/dbraw/zinc/51/09/44/1218510944.db2.gz UUTXSDVNXZZXAO-WSTZPKSXSA-N 2 1 364.534 0.774 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903780593 1218524862 /nfs/dbraw/zinc/52/48/62/1218524862.db2.gz JNLLJEJORMJEKI-NUABRCLCSA-N 2 1 365.518 0.887 20 0 FCADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980077 1218580092 /nfs/dbraw/zinc/58/00/92/1218580092.db2.gz GIDQJOPXAJZZLH-KURKYZTESA-N 3 1 359.522 0.603 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001097718779 1218840482 /nfs/dbraw/zinc/84/04/82/1218840482.db2.gz PNNMXEZJUXDKFH-SIRPWMCASA-N 2 1 363.506 0.463 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732089 1218861671 /nfs/dbraw/zinc/86/16/71/1218861671.db2.gz XUYVNVUXVMPTLI-KURKYZTESA-N 2 1 358.486 0.788 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732089 1218861672 /nfs/dbraw/zinc/86/16/72/1218861672.db2.gz XUYVNVUXVMPTLI-KURKYZTESA-N 2 1 358.486 0.788 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732089 1218861674 /nfs/dbraw/zinc/86/16/74/1218861674.db2.gz XUYVNVUXVMPTLI-KURKYZTESA-N 2 1 358.486 0.788 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226799920 1225854561 /nfs/dbraw/zinc/85/45/61/1225854561.db2.gz GOHRZFMLQDPSHQ-INMHGKMJSA-N 2 1 363.510 0.940 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001227149651 1225864915 /nfs/dbraw/zinc/86/49/15/1225864915.db2.gz AUEQVEIDMUFHCE-ZIAGYGMSSA-N 2 1 367.494 0.286 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)CC)C[C@H]3C2)CC[N@H+]1C ZINC001055358783 1219033662 /nfs/dbraw/zinc/03/36/62/1219033662.db2.gz LQGXSNDZGVKMIW-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[N@H+](C)CC)C[C@H]3C2)CC[NH+]1C ZINC001055358783 1219033664 /nfs/dbraw/zinc/03/36/64/1219033664.db2.gz LQGXSNDZGVKMIW-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@H]3C2)CC[NH+]1C ZINC001055358783 1219033666 /nfs/dbraw/zinc/03/36/66/1219033666.db2.gz LQGXSNDZGVKMIW-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3CC=CC3)CC2)CC[N@H+]1C ZINC001055550238 1219076359 /nfs/dbraw/zinc/07/63/59/1219076359.db2.gz ZMEYMIFJQHBHKT-CRAIPNDOSA-N 2 1 362.518 0.990 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ncc[nH]3)CC2)CC[N@H+]1C ZINC001055573607 1219083359 /nfs/dbraw/zinc/08/33/59/1219083359.db2.gz DMFGMCIPCLROQY-UKRRQHHQSA-N 2 1 362.478 0.060 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227092339 1225863925 /nfs/dbraw/zinc/86/39/25/1225863925.db2.gz SORRBHCKZPNEFZ-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804051828 1219104287 /nfs/dbraw/zinc/10/42/87/1219104287.db2.gz VUVNAEAGPCRINK-ZACQAIPSSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804051828 1219104295 /nfs/dbraw/zinc/10/42/95/1219104295.db2.gz VUVNAEAGPCRINK-ZACQAIPSSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804051828 1219104297 /nfs/dbraw/zinc/10/42/97/1219104297.db2.gz VUVNAEAGPCRINK-ZACQAIPSSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055002 1219108377 /nfs/dbraw/zinc/10/83/77/1219108377.db2.gz CLHPJENZSYACBQ-JKSUJKDBSA-N 2 1 363.462 0.019 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055002 1219108381 /nfs/dbraw/zinc/10/83/81/1219108381.db2.gz CLHPJENZSYACBQ-JKSUJKDBSA-N 2 1 363.462 0.019 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000804058137 1219111766 /nfs/dbraw/zinc/11/17/66/1219111766.db2.gz SZBIUWBOELAWBT-BRWVUGGUSA-N 2 1 364.490 0.053 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059050 1219111781 /nfs/dbraw/zinc/11/17/81/1219111781.db2.gz JWUHPNZQGDQOLK-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070098463 1219170746 /nfs/dbraw/zinc/17/07/46/1219170746.db2.gz ANTAEUNUIBFMNR-ZACQAIPSSA-N 2 1 362.478 0.285 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070098463 1219170748 /nfs/dbraw/zinc/17/07/48/1219170748.db2.gz ANTAEUNUIBFMNR-ZACQAIPSSA-N 2 1 362.478 0.285 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001227455146 1225875715 /nfs/dbraw/zinc/87/57/15/1225875715.db2.gz ZTWBDCHKGKKADW-VHDGCEQUSA-N 2 1 367.494 0.141 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001227455146 1225875716 /nfs/dbraw/zinc/87/57/16/1225875716.db2.gz ZTWBDCHKGKKADW-VHDGCEQUSA-N 2 1 367.494 0.141 20 0 FCADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158491 1219244875 /nfs/dbraw/zinc/24/48/75/1219244875.db2.gz MTSXSROBYFDOIR-KURKYZTESA-N 2 1 369.473 0.617 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199077 1219288288 /nfs/dbraw/zinc/28/82/88/1219288288.db2.gz FLHCJZBMPWLOPM-PMPSAXMXSA-N 2 1 358.450 0.443 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199077 1219288292 /nfs/dbraw/zinc/28/82/92/1219288292.db2.gz FLHCJZBMPWLOPM-PMPSAXMXSA-N 2 1 358.450 0.443 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070273756 1219341972 /nfs/dbraw/zinc/34/19/72/1219341972.db2.gz FCFRLKLECRNQTA-JQHSSLGASA-N 2 1 369.473 0.699 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070273756 1219341976 /nfs/dbraw/zinc/34/19/76/1219341976.db2.gz FCFRLKLECRNQTA-JQHSSLGASA-N 2 1 369.473 0.699 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070275310 1219342274 /nfs/dbraw/zinc/34/22/74/1219342274.db2.gz FYEKAVDGYCVRJC-KEYYUXOJSA-N 2 1 370.448 0.802 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070287226 1219351513 /nfs/dbraw/zinc/35/15/13/1219351513.db2.gz SXICDANZQUGIFJ-KFWWJZLASA-N 2 1 361.450 0.021 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001227967777 1225892409 /nfs/dbraw/zinc/89/24/09/1225892409.db2.gz UJDWDNFSZZFMRP-YLFCFFPRSA-N 2 1 366.506 0.081 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001070354289 1219390962 /nfs/dbraw/zinc/39/09/62/1219390962.db2.gz BASRDDSAUWDADC-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001070354289 1219390964 /nfs/dbraw/zinc/39/09/64/1219390964.db2.gz BASRDDSAUWDADC-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2CC)n1 ZINC001070357332 1219394706 /nfs/dbraw/zinc/39/47/06/1219394706.db2.gz IJUOAXVDVWSZTC-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[nH]1 ZINC001070357332 1219394707 /nfs/dbraw/zinc/39/47/07/1219394707.db2.gz IJUOAXVDVWSZTC-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)[nH]1 ZINC001070357332 1219394708 /nfs/dbraw/zinc/39/47/08/1219394708.db2.gz IJUOAXVDVWSZTC-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070499174 1219440634 /nfs/dbraw/zinc/44/06/34/1219440634.db2.gz FUGBIANQJYKDTD-UAGQMJEPSA-N 2 1 359.478 0.151 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525973 1219453416 /nfs/dbraw/zinc/45/34/16/1219453416.db2.gz KEEYWROEHSTYEX-JQHSSLGASA-N 2 1 363.506 0.823 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525973 1219453418 /nfs/dbraw/zinc/45/34/18/1219453418.db2.gz KEEYWROEHSTYEX-JQHSSLGASA-N 2 1 363.506 0.823 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070564150 1219471583 /nfs/dbraw/zinc/47/15/83/1219471583.db2.gz XHLMZPSUJQNMIB-JENIJYKNSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070565029 1219471643 /nfs/dbraw/zinc/47/16/43/1219471643.db2.gz BAMLLOJPYODFCC-FUHWJXTLSA-N 2 1 371.489 0.334 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629833 1219494256 /nfs/dbraw/zinc/49/42/56/1219494256.db2.gz TUGMIVRVNBIASU-ZACQAIPSSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070655223 1219509990 /nfs/dbraw/zinc/50/99/90/1219509990.db2.gz AOWYBLINTUOZJY-BRWVUGGUSA-N 2 1 363.506 0.274 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070680747 1219522515 /nfs/dbraw/zinc/52/25/15/1219522515.db2.gz AGFWFNAVOHQAER-BRWVUGGUSA-N 2 1 363.506 0.418 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070697471 1219530056 /nfs/dbraw/zinc/53/00/56/1219530056.db2.gz DWZKYXIENNZFDF-BRWVUGGUSA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719269 1219541341 /nfs/dbraw/zinc/54/13/41/1219541341.db2.gz WPBUUAWAZDXXAZ-BRWVUGGUSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070719125 1219541385 /nfs/dbraw/zinc/54/13/85/1219541385.db2.gz TXLUBBJEWJOSJA-KZNAEPCWSA-N 2 1 368.485 0.851 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001070916165 1219570696 /nfs/dbraw/zinc/57/06/96/1219570696.db2.gz DOFDMGIKFCTKOK-OAGGEKHMSA-N 2 1 364.490 0.987 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001070916165 1219570698 /nfs/dbraw/zinc/57/06/98/1219570698.db2.gz DOFDMGIKFCTKOK-OAGGEKHMSA-N 2 1 364.490 0.987 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070923003 1219580747 /nfs/dbraw/zinc/58/07/47/1219580747.db2.gz RBLGWUJKBBZHAH-XHSDSOJGSA-N 2 1 362.474 0.598 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)O1 ZINC001071045990 1219594606 /nfs/dbraw/zinc/59/46/06/1219594606.db2.gz LARYBWVCIXQFBK-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)O1 ZINC001071045990 1219594610 /nfs/dbraw/zinc/59/46/10/1219594610.db2.gz LARYBWVCIXQFBK-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]Cc3cnon3)CC2)C1 ZINC001071104448 1219608556 /nfs/dbraw/zinc/60/85/56/1219608556.db2.gz XPPXAGSWOFEMMN-UAGQMJEPSA-N 2 1 363.462 0.507 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]Cc3cnon3)CC2)C1 ZINC001071104448 1219608559 /nfs/dbraw/zinc/60/85/59/1219608559.db2.gz XPPXAGSWOFEMMN-UAGQMJEPSA-N 2 1 363.462 0.507 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCCC2)C3)CC[N@H+]1C ZINC001072754968 1219621477 /nfs/dbraw/zinc/62/14/77/1219621477.db2.gz MYRMOEJIAXHPDL-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCCC2)C3)CC[NH+]1C ZINC001072754968 1219621480 /nfs/dbraw/zinc/62/14/80/1219621480.db2.gz MYRMOEJIAXHPDL-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N2CCCC2)C3)CC[NH+]1C ZINC001072754968 1219621482 /nfs/dbraw/zinc/62/14/82/1219621482.db2.gz MYRMOEJIAXHPDL-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC001073003998 1219631836 /nfs/dbraw/zinc/63/18/36/1219631836.db2.gz XPXUJPOCFNHZIX-SJORKVTESA-N 2 1 356.470 0.351 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC001073003998 1219631837 /nfs/dbraw/zinc/63/18/37/1219631837.db2.gz XPXUJPOCFNHZIX-SJORKVTESA-N 2 1 356.470 0.351 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC001073003998 1219631839 /nfs/dbraw/zinc/63/18/39/1219631839.db2.gz XPXUJPOCFNHZIX-SJORKVTESA-N 2 1 356.470 0.351 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC001073003998 1219631842 /nfs/dbraw/zinc/63/18/42/1219631842.db2.gz XPXUJPOCFNHZIX-SJORKVTESA-N 2 1 356.470 0.351 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[N@H+](CCF)CCCO2)CC1 ZINC001073605097 1219671089 /nfs/dbraw/zinc/67/10/89/1219671089.db2.gz AMNPYPSXRVCNJI-KSZLIROESA-N 2 1 371.497 0.910 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[N@@H+](CCF)CCCO2)CC1 ZINC001073605097 1219671093 /nfs/dbraw/zinc/67/10/93/1219671093.db2.gz AMNPYPSXRVCNJI-KSZLIROESA-N 2 1 371.497 0.910 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCc3ccnn3C)CCCO2)CC[N@H+]1C ZINC001073610908 1219672603 /nfs/dbraw/zinc/67/26/03/1219672603.db2.gz HTSJPLVZSCNYIW-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073610908 1219672606 /nfs/dbraw/zinc/67/26/06/1219672606.db2.gz HTSJPLVZSCNYIW-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073610908 1219672610 /nfs/dbraw/zinc/67/26/10/1219672610.db2.gz HTSJPLVZSCNYIW-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP Cc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001073610789 1219672800 /nfs/dbraw/zinc/67/28/00/1219672800.db2.gz DEUZGABHSHAMFS-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC001073610789 1219672804 /nfs/dbraw/zinc/67/28/04/1219672804.db2.gz DEUZGABHSHAMFS-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ncn1 ZINC001073610789 1219672806 /nfs/dbraw/zinc/67/28/06/1219672806.db2.gz DEUZGABHSHAMFS-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ncn1 ZINC001073610789 1219672811 /nfs/dbraw/zinc/67/28/11/1219672811.db2.gz DEUZGABHSHAMFS-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001098187778 1219736201 /nfs/dbraw/zinc/73/62/01/1219736201.db2.gz HSAZIBMWROYGNB-ZJPYXAASSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001098187778 1219736205 /nfs/dbraw/zinc/73/62/05/1219736205.db2.gz HSAZIBMWROYGNB-ZJPYXAASSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001098225194 1219744397 /nfs/dbraw/zinc/74/43/97/1219744397.db2.gz YLDVZQNYMISGNT-VQHPVUNQSA-N 2 1 359.474 0.061 20 0 FCADMP COCCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371572 1219768272 /nfs/dbraw/zinc/76/82/72/1219768272.db2.gz YYMDYINAPGLQJC-SJLPKXTDSA-N 2 1 371.522 0.275 20 0 FCADMP COCCOCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371572 1219768275 /nfs/dbraw/zinc/76/82/75/1219768275.db2.gz YYMDYINAPGLQJC-SJLPKXTDSA-N 2 1 371.522 0.275 20 0 FCADMP COCCOCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371572 1219768278 /nfs/dbraw/zinc/76/82/78/1219768278.db2.gz YYMDYINAPGLQJC-SJLPKXTDSA-N 2 1 371.522 0.275 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001098410420 1219776293 /nfs/dbraw/zinc/77/62/93/1219776293.db2.gz CJWASKKURWQAFJ-VQHPVUNQSA-N 2 1 358.446 0.171 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001098410420 1219776294 /nfs/dbraw/zinc/77/62/94/1219776294.db2.gz CJWASKKURWQAFJ-VQHPVUNQSA-N 2 1 358.446 0.171 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914074 1219861670 /nfs/dbraw/zinc/86/16/70/1219861670.db2.gz KOUQDEAUGNRVOQ-LIRRHRJNSA-N 2 1 355.442 0.973 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914074 1219861671 /nfs/dbraw/zinc/86/16/71/1219861671.db2.gz KOUQDEAUGNRVOQ-LIRRHRJNSA-N 2 1 355.442 0.973 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCN(C)C2=O)C3)CC1 ZINC001099093231 1219909388 /nfs/dbraw/zinc/90/93/88/1219909388.db2.gz YBPSHPNZNIYTEW-ZWOKBUDYSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2)C12CC[NH+](CC1)C2 ZINC001099122654 1219921089 /nfs/dbraw/zinc/92/10/89/1219921089.db2.gz FAJGILBBERNDBJ-FTRWYGJKSA-N 2 1 370.501 0.832 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099122631 1219921756 /nfs/dbraw/zinc/92/17/56/1219921756.db2.gz DKNIHPMOUMOCFT-FTRWYGJKSA-N 2 1 360.502 0.674 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099159720 1219935522 /nfs/dbraw/zinc/93/55/22/1219935522.db2.gz JLMGBONUZOYHPC-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099159720 1219935524 /nfs/dbraw/zinc/93/55/24/1219935524.db2.gz JLMGBONUZOYHPC-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001099159720 1219935525 /nfs/dbraw/zinc/93/55/25/1219935525.db2.gz JLMGBONUZOYHPC-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099159720 1219935527 /nfs/dbraw/zinc/93/55/27/1219935527.db2.gz JLMGBONUZOYHPC-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1=O ZINC001099159518 1219935533 /nfs/dbraw/zinc/93/55/33/1219935533.db2.gz HAOHLDASKAJANL-ZWOKBUDYSA-N 2 1 358.486 0.808 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001099159518 1219935536 /nfs/dbraw/zinc/93/55/36/1219935536.db2.gz HAOHLDASKAJANL-ZWOKBUDYSA-N 2 1 358.486 0.808 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001099159518 1219935538 /nfs/dbraw/zinc/93/55/38/1219935538.db2.gz HAOHLDASKAJANL-ZWOKBUDYSA-N 2 1 358.486 0.808 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160886 1219935999 /nfs/dbraw/zinc/93/59/99/1219935999.db2.gz VPFZCISJDNHADT-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160886 1219936003 /nfs/dbraw/zinc/93/60/03/1219936003.db2.gz VPFZCISJDNHADT-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160886 1219936006 /nfs/dbraw/zinc/93/60/06/1219936006.db2.gz VPFZCISJDNHADT-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160886 1219936009 /nfs/dbraw/zinc/93/60/09/1219936009.db2.gz VPFZCISJDNHADT-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099162897 1219936768 /nfs/dbraw/zinc/93/67/68/1219936768.db2.gz ZXQZBHQXJLXGLX-BXWFABGCSA-N 2 1 358.490 0.832 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099162897 1219936770 /nfs/dbraw/zinc/93/67/70/1219936770.db2.gz ZXQZBHQXJLXGLX-BXWFABGCSA-N 2 1 358.490 0.832 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099342256 1219971890 /nfs/dbraw/zinc/97/18/90/1219971890.db2.gz HHTHBAJMLUREJQ-CHWSQXEVSA-N 2 1 371.367 0.462 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228595371 1225935329 /nfs/dbraw/zinc/93/53/29/1225935329.db2.gz WBXLRDPQYOUZRN-RBSFLKMASA-N 2 1 367.494 0.333 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncn3C)C2)C1 ZINC001099500584 1220016316 /nfs/dbraw/zinc/01/63/16/1220016316.db2.gz WWJBHOULLWQCTC-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001228623698 1225936844 /nfs/dbraw/zinc/93/68/44/1225936844.db2.gz HMDKPENGOWESMP-KFWWJZLASA-N 2 1 366.506 0.787 20 0 FCADMP CC(C)N1C(=O)CN(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000758251162 1220208894 /nfs/dbraw/zinc/20/88/94/1220208894.db2.gz BQQKQEGCWPDAHS-UHFFFAOYSA-N 2 1 365.522 0.966 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342867 1220295228 /nfs/dbraw/zinc/29/52/28/1220295228.db2.gz QSROHIBFOXKSQG-KHYOSLBOSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101362734 1220301115 /nfs/dbraw/zinc/30/11/15/1220301115.db2.gz BIBYDSYXQHNNDI-GLJUWKHASA-N 2 1 367.494 0.082 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364322 1220303115 /nfs/dbraw/zinc/30/31/15/1220303115.db2.gz RHSJHGBQVAKWAG-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364322 1220303119 /nfs/dbraw/zinc/30/31/19/1220303119.db2.gz RHSJHGBQVAKWAG-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364322 1220303123 /nfs/dbraw/zinc/30/31/23/1220303123.db2.gz RHSJHGBQVAKWAG-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101417409 1220332233 /nfs/dbraw/zinc/33/22/33/1220332233.db2.gz MWWDJPAYQSUCSP-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101417409 1220332235 /nfs/dbraw/zinc/33/22/35/1220332235.db2.gz MWWDJPAYQSUCSP-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101417409 1220332239 /nfs/dbraw/zinc/33/22/39/1220332239.db2.gz MWWDJPAYQSUCSP-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431302 1220340195 /nfs/dbraw/zinc/34/01/95/1220340195.db2.gz JEACMZTVFZMKCX-FCEWJHQRSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815350 1220408527 /nfs/dbraw/zinc/40/85/27/1220408527.db2.gz CPYLEFLZMYDTOQ-OAGGEKHMSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101815350 1220408530 /nfs/dbraw/zinc/40/85/30/1220408530.db2.gz CPYLEFLZMYDTOQ-OAGGEKHMSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101815350 1220408533 /nfs/dbraw/zinc/40/85/33/1220408533.db2.gz CPYLEFLZMYDTOQ-OAGGEKHMSA-N 2 1 367.538 0.862 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844293 1220415055 /nfs/dbraw/zinc/41/50/55/1220415055.db2.gz UZJSEUCSJLRTNF-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844293 1220415058 /nfs/dbraw/zinc/41/50/58/1220415058.db2.gz UZJSEUCSJLRTNF-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844293 1220415060 /nfs/dbraw/zinc/41/50/60/1220415060.db2.gz UZJSEUCSJLRTNF-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844293 1220415062 /nfs/dbraw/zinc/41/50/62/1220415062.db2.gz UZJSEUCSJLRTNF-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982871 1220452906 /nfs/dbraw/zinc/45/29/06/1220452906.db2.gz ORVQWPBHLGDTQP-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982871 1220452909 /nfs/dbraw/zinc/45/29/09/1220452909.db2.gz ORVQWPBHLGDTQP-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982871 1220452911 /nfs/dbraw/zinc/45/29/11/1220452911.db2.gz ORVQWPBHLGDTQP-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051817 1220479599 /nfs/dbraw/zinc/47/95/99/1220479599.db2.gz OBFFFOZYMKTYMC-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051817 1220479601 /nfs/dbraw/zinc/47/96/01/1220479601.db2.gz OBFFFOZYMKTYMC-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051817 1220479604 /nfs/dbraw/zinc/47/96/04/1220479604.db2.gz OBFFFOZYMKTYMC-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108282 1220498879 /nfs/dbraw/zinc/49/88/79/1220498879.db2.gz FCCGDXXESRYDJF-OWCLPIDISA-N 2 1 361.490 0.727 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171333 1220532746 /nfs/dbraw/zinc/53/27/46/1220532746.db2.gz RXZOPPUYYTZQSN-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171333 1220532751 /nfs/dbraw/zinc/53/27/51/1220532751.db2.gz RXZOPPUYYTZQSN-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171333 1220532753 /nfs/dbraw/zinc/53/27/53/1220532753.db2.gz RXZOPPUYYTZQSN-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213312 1220555307 /nfs/dbraw/zinc/55/53/07/1220555307.db2.gz APGNXOVEPRCTEV-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285479 1220573691 /nfs/dbraw/zinc/57/36/91/1220573691.db2.gz SKJMIUIMBGEMGT-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285479 1220573697 /nfs/dbraw/zinc/57/36/97/1220573697.db2.gz SKJMIUIMBGEMGT-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287254 1220573824 /nfs/dbraw/zinc/57/38/24/1220573824.db2.gz UUOQRWMUBJXBEE-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292569 1220575852 /nfs/dbraw/zinc/57/58/52/1220575852.db2.gz TUKOZCSBLBPKPO-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290505 1220576166 /nfs/dbraw/zinc/57/61/66/1220576166.db2.gz HMSJSORWVLNKDH-HZPDHXFCSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320681 1220582132 /nfs/dbraw/zinc/58/21/32/1220582132.db2.gz NWXDRZNLGXBUGS-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314635 1220582152 /nfs/dbraw/zinc/58/21/52/1220582152.db2.gz SOEJVQACCCCZNB-NVXWUHKLSA-N 2 1 361.490 0.334 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001102356508 1220591333 /nfs/dbraw/zinc/59/13/33/1220591333.db2.gz MVNDUPFDDHWZAK-RBSFLKMASA-N 2 1 366.510 0.413 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366559 1220593399 /nfs/dbraw/zinc/59/33/99/1220593399.db2.gz JOWDPAYTKGHJJL-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366559 1220593412 /nfs/dbraw/zinc/59/34/12/1220593412.db2.gz JOWDPAYTKGHJJL-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366559 1220593419 /nfs/dbraw/zinc/59/34/19/1220593419.db2.gz JOWDPAYTKGHJJL-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368338 1220595722 /nfs/dbraw/zinc/59/57/22/1220595722.db2.gz PXTUVDHDGUADMQ-SOLBZPMBSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368338 1220595728 /nfs/dbraw/zinc/59/57/28/1220595728.db2.gz PXTUVDHDGUADMQ-SOLBZPMBSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368338 1220595732 /nfs/dbraw/zinc/59/57/32/1220595732.db2.gz PXTUVDHDGUADMQ-SOLBZPMBSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377333 1220599872 /nfs/dbraw/zinc/59/98/72/1220599872.db2.gz ZWESZODLAJVNSW-HZSPNIEDSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377333 1220599879 /nfs/dbraw/zinc/59/98/79/1220599879.db2.gz ZWESZODLAJVNSW-HZSPNIEDSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377333 1220599884 /nfs/dbraw/zinc/59/98/84/1220599884.db2.gz ZWESZODLAJVNSW-HZSPNIEDSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479771 1220646794 /nfs/dbraw/zinc/64/67/94/1220646794.db2.gz HDLUNMBWZZBALM-SJLPKXTDSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488792 1220652480 /nfs/dbraw/zinc/65/24/80/1220652480.db2.gz IUMJNBGGWYWDDA-HZPDHXFCSA-N 2 1 361.490 0.772 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488792 1220652483 /nfs/dbraw/zinc/65/24/83/1220652483.db2.gz IUMJNBGGWYWDDA-HZPDHXFCSA-N 2 1 361.490 0.772 20 0 FCADMP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)cn1 ZINC001229142676 1225983450 /nfs/dbraw/zinc/98/34/50/1225983450.db2.gz YFWBHWCZVSCAIX-QZTJIDSGSA-N 2 1 363.506 0.702 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC001229142706 1225983481 /nfs/dbraw/zinc/98/34/81/1225983481.db2.gz ZVGSVGSVGCBOEY-IAGOWNOFSA-N 2 1 366.506 0.348 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511090 1220670489 /nfs/dbraw/zinc/67/04/89/1220670489.db2.gz IUIUYEWOIRBDLW-GDBMZVCRSA-N 2 1 366.510 0.369 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514470 1220673737 /nfs/dbraw/zinc/67/37/37/1220673737.db2.gz YGFXELUAIYCMMR-IXDOHACOSA-N 2 1 364.534 0.927 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514049 1220673984 /nfs/dbraw/zinc/67/39/84/1220673984.db2.gz KTAAQCQIZZRRCF-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514049 1220673986 /nfs/dbraw/zinc/67/39/86/1220673986.db2.gz KTAAQCQIZZRRCF-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514049 1220673989 /nfs/dbraw/zinc/67/39/89/1220673989.db2.gz KTAAQCQIZZRRCF-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102524503 1220680865 /nfs/dbraw/zinc/68/08/65/1220680865.db2.gz JACNIORTAGOJLR-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102524503 1220680868 /nfs/dbraw/zinc/68/08/68/1220680868.db2.gz JACNIORTAGOJLR-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102524503 1220680870 /nfs/dbraw/zinc/68/08/70/1220680870.db2.gz JACNIORTAGOJLR-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580585 1220704299 /nfs/dbraw/zinc/70/42/99/1220704299.db2.gz CWGCBCPNPRBZMN-IXDOHACOSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102601836 1220723407 /nfs/dbraw/zinc/72/34/07/1220723407.db2.gz RTOWFFJZTINHGY-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102601836 1220723412 /nfs/dbraw/zinc/72/34/12/1220723412.db2.gz RTOWFFJZTINHGY-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102601836 1220723421 /nfs/dbraw/zinc/72/34/21/1220723421.db2.gz RTOWFFJZTINHGY-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780449 1220781889 /nfs/dbraw/zinc/78/18/89/1220781889.db2.gz BTGVHIYITWSYHV-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780449 1220781895 /nfs/dbraw/zinc/78/18/95/1220781895.db2.gz BTGVHIYITWSYHV-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780449 1220781901 /nfs/dbraw/zinc/78/19/01/1220781901.db2.gz BTGVHIYITWSYHV-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977177 1220814863 /nfs/dbraw/zinc/81/48/63/1220814863.db2.gz PTBQLKGOSVSXSM-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977177 1220814864 /nfs/dbraw/zinc/81/48/64/1220814864.db2.gz PTBQLKGOSVSXSM-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977177 1220814865 /nfs/dbraw/zinc/81/48/65/1220814865.db2.gz PTBQLKGOSVSXSM-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993949 1220817319 /nfs/dbraw/zinc/81/73/19/1220817319.db2.gz MBTMTZXJKJJMBW-FVQBIDKESA-N 2 1 361.494 0.126 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993949 1220817321 /nfs/dbraw/zinc/81/73/21/1220817321.db2.gz MBTMTZXJKJJMBW-FVQBIDKESA-N 2 1 361.494 0.126 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)CC[N@@H+]1C ZINC001103003809 1220818562 /nfs/dbraw/zinc/81/85/62/1220818562.db2.gz YUUOVGDZMFAGRN-LVQVYYBASA-N 2 1 363.510 0.515 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)CC[N@H+]1C ZINC001103003809 1220818565 /nfs/dbraw/zinc/81/85/65/1220818565.db2.gz YUUOVGDZMFAGRN-LVQVYYBASA-N 2 1 363.510 0.515 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)CC[NH+]1C ZINC001103003809 1220818569 /nfs/dbraw/zinc/81/85/69/1220818569.db2.gz YUUOVGDZMFAGRN-LVQVYYBASA-N 2 1 363.510 0.515 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)CC[NH+]1C ZINC001103003809 1220818570 /nfs/dbraw/zinc/81/85/70/1220818570.db2.gz YUUOVGDZMFAGRN-LVQVYYBASA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[NH+]1C ZINC001103003425 1220819001 /nfs/dbraw/zinc/81/90/01/1220819001.db2.gz PQDARZGBUCRJCI-KBUPBQIOSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[N@@H+]1C ZINC001103003425 1220819002 /nfs/dbraw/zinc/81/90/02/1220819002.db2.gz PQDARZGBUCRJCI-KBUPBQIOSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[N@H+]1C ZINC001103003425 1220819004 /nfs/dbraw/zinc/81/90/04/1220819004.db2.gz PQDARZGBUCRJCI-KBUPBQIOSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089812 1220831355 /nfs/dbraw/zinc/83/13/55/1220831355.db2.gz BTYVGJPAONVGDA-ZIAGYGMSSA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103089812 1220831356 /nfs/dbraw/zinc/83/13/56/1220831356.db2.gz BTYVGJPAONVGDA-ZIAGYGMSSA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103089812 1220831357 /nfs/dbraw/zinc/83/13/57/1220831357.db2.gz BTYVGJPAONVGDA-ZIAGYGMSSA-N 2 1 364.494 0.167 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103111862 1220835734 /nfs/dbraw/zinc/83/57/34/1220835734.db2.gz RMXXVGQWYINTKI-ZACQAIPSSA-N 2 1 367.538 0.672 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001103140065 1220840047 /nfs/dbraw/zinc/84/00/47/1220840047.db2.gz LLPMPIWHEFYTKZ-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001103171339 1220843752 /nfs/dbraw/zinc/84/37/52/1220843752.db2.gz XDNKVBXSKALCBH-IOASZLSFSA-N 2 1 363.462 0.313 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001103171339 1220843754 /nfs/dbraw/zinc/84/37/54/1220843754.db2.gz XDNKVBXSKALCBH-IOASZLSFSA-N 2 1 363.462 0.313 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103233263 1220854510 /nfs/dbraw/zinc/85/45/10/1220854510.db2.gz GZOHTBIPFBHJNV-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103233263 1220854512 /nfs/dbraw/zinc/85/45/12/1220854512.db2.gz GZOHTBIPFBHJNV-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380447 1220874189 /nfs/dbraw/zinc/87/41/89/1220874189.db2.gz XEBQFNMHERQUCZ-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)no1 ZINC001103396672 1220876884 /nfs/dbraw/zinc/87/68/84/1220876884.db2.gz DJYHCDPMGNJSLL-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)no1 ZINC001103396672 1220876886 /nfs/dbraw/zinc/87/68/86/1220876886.db2.gz DJYHCDPMGNJSLL-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396639 1220877154 /nfs/dbraw/zinc/87/71/54/1220877154.db2.gz BRSPFPMWIUXGEM-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536865 1220897600 /nfs/dbraw/zinc/89/76/00/1220897600.db2.gz GPMWRPJOCWLELW-QZTJIDSGSA-N 2 1 363.506 0.680 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536865 1220897602 /nfs/dbraw/zinc/89/76/02/1220897602.db2.gz GPMWRPJOCWLELW-QZTJIDSGSA-N 2 1 363.506 0.680 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584219 1220908530 /nfs/dbraw/zinc/90/85/30/1220908530.db2.gz HVZQNKQQTNEJCG-INMHGKMJSA-N 2 1 368.522 0.435 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103641827 1220924661 /nfs/dbraw/zinc/92/46/61/1220924661.db2.gz FXTWWCVMVSZHEC-IXDOHACOSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103641827 1220924663 /nfs/dbraw/zinc/92/46/63/1220924663.db2.gz FXTWWCVMVSZHEC-IXDOHACOSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103641827 1220924664 /nfs/dbraw/zinc/92/46/64/1220924664.db2.gz FXTWWCVMVSZHEC-IXDOHACOSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642106 1220926307 /nfs/dbraw/zinc/92/63/07/1220926307.db2.gz QZLSDTKMBFJTBD-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662815 1220932333 /nfs/dbraw/zinc/93/23/33/1220932333.db2.gz SUNAYRGDFLVICN-BZUAXINKSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662815 1220932347 /nfs/dbraw/zinc/93/23/47/1220932347.db2.gz SUNAYRGDFLVICN-BZUAXINKSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103662815 1220932351 /nfs/dbraw/zinc/93/23/51/1220932351.db2.gz SUNAYRGDFLVICN-BZUAXINKSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103665841 1220934092 /nfs/dbraw/zinc/93/40/92/1220934092.db2.gz WIGOUUQACIQZIR-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103665841 1220934101 /nfs/dbraw/zinc/93/41/01/1220934101.db2.gz WIGOUUQACIQZIR-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103665841 1220934103 /nfs/dbraw/zinc/93/41/03/1220934103.db2.gz WIGOUUQACIQZIR-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722329 1220952000 /nfs/dbraw/zinc/95/20/00/1220952000.db2.gz IOUXGWLAPVTTEX-HUUCEWRRSA-N 2 1 364.494 0.806 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722329 1220952006 /nfs/dbraw/zinc/95/20/06/1220952006.db2.gz IOUXGWLAPVTTEX-HUUCEWRRSA-N 2 1 364.494 0.806 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719272 1220952301 /nfs/dbraw/zinc/95/23/01/1220952301.db2.gz XIAKOJKHZKPQBQ-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719272 1220952307 /nfs/dbraw/zinc/95/23/07/1220952307.db2.gz XIAKOJKHZKPQBQ-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719272 1220952310 /nfs/dbraw/zinc/95/23/10/1220952310.db2.gz XIAKOJKHZKPQBQ-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723277 1220952377 /nfs/dbraw/zinc/95/23/77/1220952377.db2.gz BPWVOQJUAYGYNQ-KURKYZTESA-N 2 1 363.506 0.414 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722433 1220952612 /nfs/dbraw/zinc/95/26/12/1220952612.db2.gz NCHNFWYIRVPUOZ-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723591 1220952836 /nfs/dbraw/zinc/95/28/36/1220952836.db2.gz SLFWXDAFBAMFLM-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103724635 1220954550 /nfs/dbraw/zinc/95/45/50/1220954550.db2.gz NBBCOZJXLVHLLM-BPLDGKMQSA-N 2 1 361.446 0.071 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103724635 1220954551 /nfs/dbraw/zinc/95/45/51/1220954551.db2.gz NBBCOZJXLVHLLM-BPLDGKMQSA-N 2 1 361.446 0.071 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751645 1220964069 /nfs/dbraw/zinc/96/40/69/1220964069.db2.gz KTWHHXJJPIIBNZ-HUUCEWRRSA-N 2 1 367.494 0.132 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104032276 1221000657 /nfs/dbraw/zinc/00/06/57/1221000657.db2.gz NPJUXMBTCQGVNZ-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104032276 1221000663 /nfs/dbraw/zinc/00/06/63/1221000663.db2.gz NPJUXMBTCQGVNZ-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1nccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034005 1221001622 /nfs/dbraw/zinc/00/16/22/1221001622.db2.gz PAIGOQCOCGZDEW-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034005 1221001625 /nfs/dbraw/zinc/00/16/25/1221001625.db2.gz PAIGOQCOCGZDEW-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001111874227 1221146168 /nfs/dbraw/zinc/14/61/68/1221146168.db2.gz UCTDQTMZDFAIJD-GJYPPUQNSA-N 2 1 366.506 0.204 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001111874227 1221146171 /nfs/dbraw/zinc/14/61/71/1221146171.db2.gz UCTDQTMZDFAIJD-GJYPPUQNSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000782874410 1221195814 /nfs/dbraw/zinc/19/58/14/1221195814.db2.gz YKFQODYOTIWZLZ-LJQANCHMSA-N 2 1 361.486 0.982 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000782874410 1221195818 /nfs/dbraw/zinc/19/58/18/1221195818.db2.gz YKFQODYOTIWZLZ-LJQANCHMSA-N 2 1 361.486 0.982 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112285481 1221230353 /nfs/dbraw/zinc/23/03/53/1221230353.db2.gz ZCRNOTHVEFKQHX-QKLQHJQFSA-N 2 1 362.518 0.825 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717328 1226030341 /nfs/dbraw/zinc/03/03/41/1226030341.db2.gz QXCTUYMNGZNTDE-HUUCEWRRSA-N 2 1 367.498 0.178 20 0 FCADMP O=C(CN1CCCN(C(=O)CCc2ccccc2)CC1)N1CCNCC1 ZINC001118198383 1221731629 /nfs/dbraw/zinc/73/16/29/1221731629.db2.gz MEYBREYCAGQIIQ-UHFFFAOYSA-N 2 1 358.486 0.585 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001230274668 1226070936 /nfs/dbraw/zinc/07/09/36/1226070936.db2.gz FIHCGJHLQDLJNO-KFWWJZLASA-N 2 1 367.494 0.333 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C)[NH+]1CCCC1 ZINC001230287107 1226072033 /nfs/dbraw/zinc/07/20/33/1226072033.db2.gz WNQMGEMCUZWJKN-INMHGKMJSA-N 2 1 363.510 0.848 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001119296125 1221898131 /nfs/dbraw/zinc/89/81/31/1221898131.db2.gz MLVDNFOAQBVKBV-ICSRJNTNSA-N 2 1 360.502 0.817 20 0 FCADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119318453 1221898979 /nfs/dbraw/zinc/89/89/79/1221898979.db2.gz YABCEUDVZYRLMI-XVLXNVKGSA-N 2 1 364.534 0.820 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362804 1221906726 /nfs/dbraw/zinc/90/67/26/1221906726.db2.gz PKVVELYAZUHAPL-JZXOWHBKSA-N 2 1 360.502 0.985 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001119407233 1221912718 /nfs/dbraw/zinc/91/27/18/1221912718.db2.gz GUBDWTUIFBDHEC-HFTRVMKXSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001119407233 1221912723 /nfs/dbraw/zinc/91/27/23/1221912723.db2.gz GUBDWTUIFBDHEC-HFTRVMKXSA-N 2 1 374.485 0.767 20 0 FCADMP C([NH+]1CC[C@@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999360 /nfs/dbraw/zinc/99/93/60/1221999360.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 2 1 368.474 0.393 20 0 FCADMP C([NH+]1CC[C@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999364 /nfs/dbraw/zinc/99/93/64/1221999364.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 2 1 368.474 0.393 20 0 FCADMP C([NH+]1CC[C@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999368 /nfs/dbraw/zinc/99/93/68/1221999368.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 2 1 368.474 0.393 20 0 FCADMP CCN1CCC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1=O ZINC001120560194 1222104856 /nfs/dbraw/zinc/10/48/56/1222104856.db2.gz HIHQLTTULKLBSO-IXDOHACOSA-N 2 1 363.506 0.608 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001120595452 1222107595 /nfs/dbraw/zinc/10/75/95/1222107595.db2.gz FGYJPCCJDZVRBQ-IBGZPJMESA-N 2 1 374.533 0.137 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001120625020 1222110173 /nfs/dbraw/zinc/11/01/73/1222110173.db2.gz DDOUUOSKYGOMMX-SFHVURJKSA-N 2 1 366.506 0.795 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001121921951 1222224047 /nfs/dbraw/zinc/22/40/47/1222224047.db2.gz WUGNDSWWGAGAGB-LJQANCHMSA-N 2 1 359.518 0.166 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCCC[NH2+]1 ZINC001122392561 1222271062 /nfs/dbraw/zinc/27/10/62/1222271062.db2.gz VQADATHYVJUCKW-IRXDYDNUSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630386 1222344931 /nfs/dbraw/zinc/34/49/31/1222344931.db2.gz ICGFXDWEGZCXEI-CJNGLKHVSA-N 2 1 373.457 0.483 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630388 1222344968 /nfs/dbraw/zinc/34/49/68/1222344968.db2.gz ICGFXDWEGZCXEI-XJKSGUPXSA-N 2 1 373.457 0.483 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC001123769894 1222356009 /nfs/dbraw/zinc/35/60/09/1222356009.db2.gz PJXLGUBWDFSCMR-GSEOLPGOSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001123769894 1222356014 /nfs/dbraw/zinc/35/60/14/1222356014.db2.gz PJXLGUBWDFSCMR-GSEOLPGOSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001123769894 1222356019 /nfs/dbraw/zinc/35/60/19/1222356019.db2.gz PJXLGUBWDFSCMR-GSEOLPGOSA-N 2 1 372.513 0.374 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000828603959 1222410752 /nfs/dbraw/zinc/41/07/52/1222410752.db2.gz TWWIYRPWXXEPQC-SFHVURJKSA-N 2 1 373.501 0.963 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585593 1222580830 /nfs/dbraw/zinc/58/08/30/1222580830.db2.gz ICPXQZJIKBZARI-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585593 1222580835 /nfs/dbraw/zinc/58/08/35/1222580835.db2.gz ICPXQZJIKBZARI-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585593 1222580839 /nfs/dbraw/zinc/58/08/39/1222580839.db2.gz ICPXQZJIKBZARI-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585593 1222580844 /nfs/dbraw/zinc/58/08/44/1222580844.db2.gz ICPXQZJIKBZARI-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585593 1222580846 /nfs/dbraw/zinc/58/08/46/1222580846.db2.gz ICPXQZJIKBZARI-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1nccnc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001140936991 1222623568 /nfs/dbraw/zinc/62/35/68/1222623568.db2.gz MCFRUXSNHHEMDF-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP Cc1nccnc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001140936991 1222623572 /nfs/dbraw/zinc/62/35/72/1222623572.db2.gz MCFRUXSNHHEMDF-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841071563 1222807081 /nfs/dbraw/zinc/80/70/81/1222807081.db2.gz PMGSGLWTPOWRCU-YOEHRIQHSA-N 2 1 360.458 0.905 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841137240 1222809560 /nfs/dbraw/zinc/80/95/60/1222809560.db2.gz SLIDJQHPXGIVGA-LJQANCHMSA-N 2 1 360.458 0.907 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841159439 1222810911 /nfs/dbraw/zinc/81/09/11/1222810911.db2.gz FSMFOYFZLJBGHN-INIZCTEOSA-N 2 1 373.501 0.964 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841164467 1222811585 /nfs/dbraw/zinc/81/15/85/1222811585.db2.gz IJSQFXCQNPDANS-INIZCTEOSA-N 2 1 359.474 0.635 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000841164609 1222811603 /nfs/dbraw/zinc/81/16/03/1222811603.db2.gz VAAUXQSBJUHMRX-KRWDZBQOSA-N 2 1 373.501 0.977 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841197245 1222812915 /nfs/dbraw/zinc/81/29/15/1222812915.db2.gz CNDZSLCNKWUSFH-UHFFFAOYSA-N 2 1 361.490 0.883 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000842035210 1222833409 /nfs/dbraw/zinc/83/34/09/1222833409.db2.gz JHQFNQWFLPTHJH-BBRMVZONSA-N 2 1 370.457 0.920 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cn1 ZINC000842163493 1222838318 /nfs/dbraw/zinc/83/83/18/1222838318.db2.gz OWZVSQRADLSPJO-INIZCTEOSA-N 2 1 370.457 0.826 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191006 1222839617 /nfs/dbraw/zinc/83/96/17/1222839617.db2.gz VUDYNCJNFIEOIX-PXNSSMCTSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191070 1222839783 /nfs/dbraw/zinc/83/97/83/1222839783.db2.gz WOGOSRUYXWDUOO-XLIONFOSSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842231163 1222843260 /nfs/dbraw/zinc/84/32/60/1222843260.db2.gz OKBSEFWEMRGFQS-IBGZPJMESA-N 2 1 372.513 0.994 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C)n1 ZINC001277689960 1226158412 /nfs/dbraw/zinc/15/84/12/1226158412.db2.gz MRVFVGQLJLJYTI-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346688 1222870908 /nfs/dbraw/zinc/87/09/08/1222870908.db2.gz GTDCQBOHIQTNSW-VXGBXAGGSA-N 2 1 374.445 0.382 20 0 FCADMP CN1CC[NH+](CCC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001143230115 1222871715 /nfs/dbraw/zinc/87/17/15/1222871715.db2.gz DGHVCCCMRJSTES-UHFFFAOYSA-N 2 1 371.485 0.480 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362567 1222873658 /nfs/dbraw/zinc/87/36/58/1222873658.db2.gz KFOSAVFICNSQRT-RHSMWYFYSA-N 2 1 360.458 0.911 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362567 1222873661 /nfs/dbraw/zinc/87/36/61/1222873661.db2.gz KFOSAVFICNSQRT-RHSMWYFYSA-N 2 1 360.458 0.911 20 0 FCADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCOc1ccc2c(c1)OCO2 ZINC000843363974 1222873919 /nfs/dbraw/zinc/87/39/19/1222873919.db2.gz ZOVAZTFKRCQZHF-UHFFFAOYSA-N 2 1 361.442 0.986 20 0 FCADMP CC(C)COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881063 1222890723 /nfs/dbraw/zinc/89/07/23/1222890723.db2.gz CMTZFZIYPNBRQQ-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881063 1222890726 /nfs/dbraw/zinc/89/07/26/1222890726.db2.gz CMTZFZIYPNBRQQ-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881063 1222890728 /nfs/dbraw/zinc/89/07/28/1222890728.db2.gz CMTZFZIYPNBRQQ-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881063 1222890729 /nfs/dbraw/zinc/89/07/29/1222890729.db2.gz CMTZFZIYPNBRQQ-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150396379 1222900762 /nfs/dbraw/zinc/90/07/62/1222900762.db2.gz GHOWGXPFDLWFDI-DZGCQCFKSA-N 2 1 359.478 0.328 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150396379 1222900767 /nfs/dbraw/zinc/90/07/67/1222900767.db2.gz GHOWGXPFDLWFDI-DZGCQCFKSA-N 2 1 359.478 0.328 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138086 1222917852 /nfs/dbraw/zinc/91/78/52/1222917852.db2.gz SZXKGSZQPJLWEW-OAGGEKHMSA-N 2 1 368.522 0.578 20 0 FCADMP CCOCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001151174551 1222918759 /nfs/dbraw/zinc/91/87/59/1222918759.db2.gz FDJQUWRASJAILR-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP CCOCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001151174551 1222918762 /nfs/dbraw/zinc/91/87/62/1222918762.db2.gz FDJQUWRASJAILR-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)ccn2)C1 ZINC000245458877 1223044399 /nfs/dbraw/zinc/04/43/99/1223044399.db2.gz KWFOFRICCSYSPQ-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccnc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000245458877 1223044406 /nfs/dbraw/zinc/04/44/06/1223044406.db2.gz KWFOFRICCSYSPQ-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccnc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000245458877 1223044412 /nfs/dbraw/zinc/04/44/12/1223044412.db2.gz KWFOFRICCSYSPQ-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157610078 1223079526 /nfs/dbraw/zinc/07/95/26/1223079526.db2.gz NZNWBIHCQNCNNU-RYRKJORJSA-N 2 1 358.486 0.438 20 0 FCADMP C[NH+]1CCN(c2ccc(-n3nc(-c4ccccc4)nc3CC[NH3+])nn2)CC1 ZINC001157895406 1223083611 /nfs/dbraw/zinc/08/36/11/1223083611.db2.gz DAICICJTGPJSGA-UHFFFAOYSA-N 2 1 364.457 0.977 20 0 FCADMP C[C@@H]([NH3+])c1ccn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)n1 ZINC001158350252 1223095409 /nfs/dbraw/zinc/09/54/09/1223095409.db2.gz ZHLHPHHUEPQPKK-CYBMUJFWSA-N 2 1 359.434 0.355 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@H+]1C ZINC001158379793 1223096435 /nfs/dbraw/zinc/09/64/35/1223096435.db2.gz HZIJFUBBQMBSFP-CHWSQXEVSA-N 2 1 359.434 0.463 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCc2ccco2)CC[N@H+]1C ZINC001158411267 1223097033 /nfs/dbraw/zinc/09/70/33/1223097033.db2.gz BKZQYCNAUHBSQE-RYQLBKOJSA-N 2 1 367.490 0.983 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)CC[N@H+]1C ZINC001158428567 1223097345 /nfs/dbraw/zinc/09/73/45/1223097345.db2.gz JJKQJPKAXUOLBQ-OIISXLGYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CC[N@H+]1C ZINC001158428566 1223097444 /nfs/dbraw/zinc/09/74/44/1223097444.db2.gz JJKQJPKAXUOLBQ-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158672762 1223105076 /nfs/dbraw/zinc/10/50/76/1223105076.db2.gz ZZZMGMSEHWWZHQ-NLWGTHIKSA-N 2 1 374.485 0.698 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC001158890689 1223112449 /nfs/dbraw/zinc/11/24/49/1223112449.db2.gz KAGHYEKMXGTBDT-GOSISDBHSA-N 2 1 370.497 0.904 20 0 FCADMP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncc2c(n1)CC[NH2+]C2 ZINC001159144261 1223118897 /nfs/dbraw/zinc/11/88/97/1223118897.db2.gz CJYZLLJCXXJEDQ-UHFFFAOYSA-N 2 1 353.430 0.990 20 0 FCADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159158335 1223119444 /nfs/dbraw/zinc/11/94/44/1223119444.db2.gz MWFJQBSFCUYUBH-SGYMCOKNSA-N 2 1 370.501 0.445 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)CC[C@@H]21 ZINC001159533814 1223129405 /nfs/dbraw/zinc/12/94/05/1223129405.db2.gz JRAVKWYXGIKKHW-DFEOGRTESA-N 2 1 360.506 0.274 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@H]2C ZINC001159634131 1223131875 /nfs/dbraw/zinc/13/18/75/1223131875.db2.gz WKPJBOFBFKQEOM-BBRMVZONSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@H]2C ZINC001159634131 1223131877 /nfs/dbraw/zinc/13/18/77/1223131877.db2.gz WKPJBOFBFKQEOM-BBRMVZONSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@H]2C ZINC001159634131 1223131878 /nfs/dbraw/zinc/13/18/78/1223131878.db2.gz WKPJBOFBFKQEOM-BBRMVZONSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)[C@@H]2C ZINC001159632993 1223132033 /nfs/dbraw/zinc/13/20/33/1223132033.db2.gz DVKVASBCFUYOKB-CLCXKQKWSA-N 2 1 360.506 0.578 20 0 FCADMP CN1C[C@H](COCC2CC2)[C@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]2C1=O ZINC001159643734 1223132348 /nfs/dbraw/zinc/13/23/48/1223132348.db2.gz NWBIREVNXJHBLP-VQHPVUNQSA-N 2 1 366.506 0.032 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159697102 1223133836 /nfs/dbraw/zinc/13/38/36/1223133836.db2.gz MDKQEVPEGPAGPC-KBAYOESNSA-N 2 1 374.485 0.808 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855099 1223138010 /nfs/dbraw/zinc/13/80/10/1223138010.db2.gz HVEZSWAFSQVUMG-JQHSSLGASA-N 3 1 364.465 0.946 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855099 1223138013 /nfs/dbraw/zinc/13/80/13/1223138013.db2.gz HVEZSWAFSQVUMG-JQHSSLGASA-N 2 1 364.465 0.946 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159898647 1223139613 /nfs/dbraw/zinc/13/96/13/1223139613.db2.gz RRMYFDYMKBFJTH-OALUTQOASA-N 2 1 370.453 0.772 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159898647 1223139615 /nfs/dbraw/zinc/13/96/15/1223139615.db2.gz RRMYFDYMKBFJTH-OALUTQOASA-N 2 1 370.453 0.772 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001159966605 1223141363 /nfs/dbraw/zinc/14/13/63/1223141363.db2.gz HYQGWDKWTXWFEW-JENIJYKNSA-N 2 1 362.474 0.672 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065530 1223143961 /nfs/dbraw/zinc/14/39/61/1223143961.db2.gz KTBVLSYKDUGQRV-HNNXBMFYSA-N 3 1 371.489 0.761 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001160424382 1223158989 /nfs/dbraw/zinc/15/89/89/1223158989.db2.gz SKVVLPSXUDZSMX-BHNDVYRESA-N 2 1 357.502 0.687 20 0 FCADMP CCOC(=O)[C@H]1CCc2nnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)cc2C1 ZINC001160517962 1223163174 /nfs/dbraw/zinc/16/31/74/1223163174.db2.gz RYETUCHJNYDGQK-ORAYPTAESA-N 2 1 359.474 0.980 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160825491 1223176273 /nfs/dbraw/zinc/17/62/73/1223176273.db2.gz ALHQCMGDVBSDEO-ZFWWWQNUSA-N 2 1 362.478 0.191 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2ccccc2)O1 ZINC001160862632 1223178966 /nfs/dbraw/zinc/17/89/66/1223178966.db2.gz SKUKQORVZCVIBY-NVXWUHKLSA-N 2 1 362.474 0.464 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2ccccc2)O1 ZINC001160862632 1223178969 /nfs/dbraw/zinc/17/89/69/1223178969.db2.gz SKUKQORVZCVIBY-NVXWUHKLSA-N 2 1 362.474 0.464 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999785 1223182638 /nfs/dbraw/zinc/18/26/38/1223182638.db2.gz KPXDOBMCKVQQQU-OALUTQOASA-N 2 1 372.513 0.566 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999785 1223182642 /nfs/dbraw/zinc/18/26/42/1223182642.db2.gz KPXDOBMCKVQQQU-OALUTQOASA-N 2 1 372.513 0.566 20 0 FCADMP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198422 1223188900 /nfs/dbraw/zinc/18/89/00/1223188900.db2.gz QODTYEWHQVWGMG-ROUUACIJSA-N 3 1 370.513 0.485 20 0 FCADMP CC1(C)C[NH2+]C[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198249 1223189079 /nfs/dbraw/zinc/18/90/79/1223189079.db2.gz OMSVDQPBPLMFTB-GOSISDBHSA-N 3 1 366.550 0.783 20 0 FCADMP Nc1cnc(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)cn1 ZINC001161201727 1223189700 /nfs/dbraw/zinc/18/97/00/1223189700.db2.gz QVQUIFZDUGUHAY-UHFFFAOYSA-N 2 1 362.478 0.223 20 0 FCADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)CC1 ZINC001161379738 1223197438 /nfs/dbraw/zinc/19/74/38/1223197438.db2.gz HNVNAKYPQLTCSO-INIZCTEOSA-N 3 1 358.490 0.129 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]12 ZINC001161414678 1223198396 /nfs/dbraw/zinc/19/83/96/1223198396.db2.gz YNOFXMCKMRTZGR-FCGDIQPGSA-N 3 1 354.498 0.904 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]12 ZINC001161414678 1223198401 /nfs/dbraw/zinc/19/84/01/1223198401.db2.gz YNOFXMCKMRTZGR-FCGDIQPGSA-N 3 1 354.498 0.904 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]12 ZINC001161414679 1223198667 /nfs/dbraw/zinc/19/86/67/1223198667.db2.gz YNOFXMCKMRTZGR-NCXUSEDFSA-N 3 1 354.498 0.904 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]12 ZINC001161414679 1223198668 /nfs/dbraw/zinc/19/86/68/1223198668.db2.gz YNOFXMCKMRTZGR-NCXUSEDFSA-N 3 1 354.498 0.904 20 0 FCADMP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[N@H+]4CC[C@@H]4C3)cc(=O)oc2c1 ZINC001161423909 1223198907 /nfs/dbraw/zinc/19/89/07/1223198907.db2.gz SKUYAMKCAQBIJW-CJNGLKHVSA-N 2 1 357.410 0.588 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H](N)Cc1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC001161447725 1223199594 /nfs/dbraw/zinc/19/95/94/1223199594.db2.gz YWVQGWHKIPQPFL-RDJZCZTQSA-N 2 1 358.490 0.575 20 0 FCADMP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](CC(=O)N(C)C)CC1 ZINC001162275331 1223213057 /nfs/dbraw/zinc/21/30/57/1223213057.db2.gz LRWXRIGLTOJERY-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001163111616 1223226070 /nfs/dbraw/zinc/22/60/70/1223226070.db2.gz HESJBDYXDBCZAB-CQSZACIVSA-N 2 1 369.473 0.914 20 0 FCADMP CCOC(=O)[C@@]12CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001165172146 1223242915 /nfs/dbraw/zinc/24/29/15/1223242915.db2.gz GOEHYRAQVVXTTC-BEFAXECRSA-N 2 1 374.489 0.207 20 0 FCADMP COCCn1ccc2c1nc[nH+]c2N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001165341863 1223244866 /nfs/dbraw/zinc/24/48/66/1223244866.db2.gz PPAJLUNHUHHKPP-GOSISDBHSA-N 2 1 361.446 0.663 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001205212257 1223317205 /nfs/dbraw/zinc/31/72/05/1223317205.db2.gz RVIYUKXNRFWIQC-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001205212257 1223317206 /nfs/dbraw/zinc/31/72/06/1223317206.db2.gz RVIYUKXNRFWIQC-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001205212257 1223317207 /nfs/dbraw/zinc/31/72/07/1223317207.db2.gz RVIYUKXNRFWIQC-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001205211866 1223317248 /nfs/dbraw/zinc/31/72/48/1223317248.db2.gz MAYCDIHFIPNJJR-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205211866 1223317250 /nfs/dbraw/zinc/31/72/50/1223317250.db2.gz MAYCDIHFIPNJJR-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205211866 1223317253 /nfs/dbraw/zinc/31/72/53/1223317253.db2.gz MAYCDIHFIPNJJR-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001205226548 1223318625 /nfs/dbraw/zinc/31/86/25/1223318625.db2.gz XCBZEDRFPMYDOR-RTBURBONSA-N 2 1 363.502 0.783 20 0 FCADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205226548 1223318627 /nfs/dbraw/zinc/31/86/27/1223318627.db2.gz XCBZEDRFPMYDOR-RTBURBONSA-N 2 1 363.502 0.783 20 0 FCADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205226548 1223318628 /nfs/dbraw/zinc/31/86/28/1223318628.db2.gz XCBZEDRFPMYDOR-RTBURBONSA-N 2 1 363.502 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205668877 1223334656 /nfs/dbraw/zinc/33/46/56/1223334656.db2.gz XBYFNWSLTVYJSL-JLJPHGGASA-N 2 1 364.465 0.925 20 0 FCADMP CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206619409 1223363061 /nfs/dbraw/zinc/36/30/61/1223363061.db2.gz AKHAMSVJHFIBOY-KFWWJZLASA-N 2 1 367.494 0.143 20 0 FCADMP CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001206619409 1223363064 /nfs/dbraw/zinc/36/30/64/1223363064.db2.gz AKHAMSVJHFIBOY-KFWWJZLASA-N 2 1 367.494 0.143 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4cc[nH]c4n3)C2)OCC1=O ZINC001276511570 1223424714 /nfs/dbraw/zinc/42/47/14/1223424714.db2.gz SZUSWALHFNKNJJ-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207231613 1223427043 /nfs/dbraw/zinc/42/70/43/1223427043.db2.gz MOSRGWQEIIJIDS-RBSFLKMASA-N 2 1 370.469 0.252 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617547 1223461471 /nfs/dbraw/zinc/46/14/71/1223461471.db2.gz VGOJNGJYHUFBNB-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617547 1223461474 /nfs/dbraw/zinc/46/14/74/1223461474.db2.gz VGOJNGJYHUFBNB-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207617547 1223461476 /nfs/dbraw/zinc/46/14/76/1223461476.db2.gz VGOJNGJYHUFBNB-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207617547 1223461480 /nfs/dbraw/zinc/46/14/80/1223461480.db2.gz VGOJNGJYHUFBNB-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617162 1223461803 /nfs/dbraw/zinc/46/18/03/1223461803.db2.gz OVODMZFVAWJBDJ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617162 1223461811 /nfs/dbraw/zinc/46/18/11/1223461811.db2.gz OVODMZFVAWJBDJ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207617162 1223461814 /nfs/dbraw/zinc/46/18/14/1223461814.db2.gz OVODMZFVAWJBDJ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207617162 1223461818 /nfs/dbraw/zinc/46/18/18/1223461818.db2.gz OVODMZFVAWJBDJ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706137 1223472548 /nfs/dbraw/zinc/47/25/48/1223472548.db2.gz PMJUVMRMIUCAPT-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001207757796 1223477057 /nfs/dbraw/zinc/47/70/57/1223477057.db2.gz MVWOGVIGBHPPKR-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001207757796 1223477060 /nfs/dbraw/zinc/47/70/60/1223477060.db2.gz MVWOGVIGBHPPKR-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001207757796 1223477063 /nfs/dbraw/zinc/47/70/63/1223477063.db2.gz MVWOGVIGBHPPKR-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434810 1223544856 /nfs/dbraw/zinc/54/48/56/1223544856.db2.gz CSVGZPVNKNAUTQ-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434810 1223544859 /nfs/dbraw/zinc/54/48/59/1223544859.db2.gz CSVGZPVNKNAUTQ-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208572524 1223558897 /nfs/dbraw/zinc/55/88/97/1223558897.db2.gz YWYOEMJPCYZZQP-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208572524 1223558901 /nfs/dbraw/zinc/55/89/01/1223558901.db2.gz YWYOEMJPCYZZQP-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001208605833 1223562121 /nfs/dbraw/zinc/56/21/21/1223562121.db2.gz VSCQOSOGDMYFNI-RHSMWYFYSA-N 2 1 366.462 0.329 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001208605833 1223562126 /nfs/dbraw/zinc/56/21/26/1223562126.db2.gz VSCQOSOGDMYFNI-RHSMWYFYSA-N 2 1 366.462 0.329 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611961 1223563260 /nfs/dbraw/zinc/56/32/60/1223563260.db2.gz YVVHSLNAPFUSEV-MSOLQXFVSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611961 1223563263 /nfs/dbraw/zinc/56/32/63/1223563263.db2.gz YVVHSLNAPFUSEV-MSOLQXFVSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611961 1223563265 /nfs/dbraw/zinc/56/32/65/1223563265.db2.gz YVVHSLNAPFUSEV-MSOLQXFVSA-N 2 1 365.518 0.916 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676317 1223569402 /nfs/dbraw/zinc/56/94/02/1223569402.db2.gz MMJANSNHUKBEOL-KBAYOESNSA-N 2 1 360.502 0.861 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676317 1223569407 /nfs/dbraw/zinc/56/94/07/1223569407.db2.gz MMJANSNHUKBEOL-KBAYOESNSA-N 2 1 360.502 0.861 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676317 1223569414 /nfs/dbraw/zinc/56/94/14/1223569414.db2.gz MMJANSNHUKBEOL-KBAYOESNSA-N 2 1 360.502 0.861 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001208679094 1223571190 /nfs/dbraw/zinc/57/11/90/1223571190.db2.gz XOZYRAOEBXKDCW-UHFFFAOYSA-N 2 1 361.490 0.769 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738866 1223573902 /nfs/dbraw/zinc/57/39/02/1223573902.db2.gz KKIGKJAXSHLRNH-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738866 1223573909 /nfs/dbraw/zinc/57/39/09/1223573909.db2.gz KKIGKJAXSHLRNH-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738625 1223574233 /nfs/dbraw/zinc/57/42/33/1223574233.db2.gz HWIAOYSHJMMNGI-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CNC(=O)CN1CCO[C@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942465 1223586309 /nfs/dbraw/zinc/58/63/09/1223586309.db2.gz DOHRMGFKCOJRJJ-AQNXPRMDSA-N 2 1 372.513 0.640 20 0 FCADMP CN1CCN(CCC[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)CC1 ZINC001276629885 1223607927 /nfs/dbraw/zinc/60/79/27/1223607927.db2.gz BJZRBEFIDZLZKV-SFHVURJKSA-N 2 1 365.566 0.404 20 0 FCADMP c1ncn(C[C@@H]2C[C@@H]3CN(CCN4CCOCC4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001209290089 1223607980 /nfs/dbraw/zinc/60/79/80/1223607980.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 1 374.533 0.785 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630372 1223609569 /nfs/dbraw/zinc/60/95/69/1223609569.db2.gz QDZFWKZBVVVWIF-FQEVSTJZSA-N 2 1 365.566 0.643 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001276630372 1223609570 /nfs/dbraw/zinc/60/95/70/1223609570.db2.gz QDZFWKZBVVVWIF-FQEVSTJZSA-N 2 1 365.566 0.643 20 0 FCADMP CN1CCN(CCC[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001276630372 1223609572 /nfs/dbraw/zinc/60/95/72/1223609572.db2.gz QDZFWKZBVVVWIF-FQEVSTJZSA-N 2 1 365.566 0.643 20 0 FCADMP COC(C)(C)CN1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276635744 1223612509 /nfs/dbraw/zinc/61/25/09/1223612509.db2.gz ATVQGNMXCZXKSV-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP Nc1ccncc1C[N@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209724482 1223644090 /nfs/dbraw/zinc/64/40/90/1223644090.db2.gz AZTMGKQPABLPQG-RBSFLKMASA-N 2 1 354.414 0.617 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209724482 1223644093 /nfs/dbraw/zinc/64/40/93/1223644093.db2.gz AZTMGKQPABLPQG-RBSFLKMASA-N 2 1 354.414 0.617 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001209724482 1223644096 /nfs/dbraw/zinc/64/40/96/1223644096.db2.gz AZTMGKQPABLPQG-RBSFLKMASA-N 2 1 354.414 0.617 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837421 1223652566 /nfs/dbraw/zinc/65/25/66/1223652566.db2.gz XVVPQPWJOWQMFZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321602 1223683142 /nfs/dbraw/zinc/68/31/42/1223683142.db2.gz GBYDZVURZHADMS-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426227 1223690331 /nfs/dbraw/zinc/69/03/31/1223690331.db2.gz COXWVHJILLIAPK-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426227 1223690334 /nfs/dbraw/zinc/69/03/34/1223690334.db2.gz COXWVHJILLIAPK-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094907 1223725657 /nfs/dbraw/zinc/72/56/57/1223725657.db2.gz YGIUHCISRCVENM-OAGGEKHMSA-N 2 1 364.490 0.494 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309338 1223734230 /nfs/dbraw/zinc/73/42/30/1223734230.db2.gz AJUMWMYPRWGBCU-KZNAEPCWSA-N 2 1 371.522 0.323 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219522 1223770634 /nfs/dbraw/zinc/77/06/34/1223770634.db2.gz XMTONSZUIHICSE-RCCFBDPRSA-N 2 1 371.522 0.464 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219522 1223770636 /nfs/dbraw/zinc/77/06/36/1223770636.db2.gz XMTONSZUIHICSE-RCCFBDPRSA-N 2 1 371.522 0.464 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219522 1223770639 /nfs/dbraw/zinc/77/06/39/1223770639.db2.gz XMTONSZUIHICSE-RCCFBDPRSA-N 2 1 371.522 0.464 20 0 FCADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213378376 1223792553 /nfs/dbraw/zinc/79/25/53/1223792553.db2.gz OIGGDBZFADZGCQ-FGTMMUONSA-N 2 1 365.474 0.496 20 0 FCADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213378376 1223792555 /nfs/dbraw/zinc/79/25/55/1223792555.db2.gz OIGGDBZFADZGCQ-FGTMMUONSA-N 2 1 365.474 0.496 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213435354 1223798142 /nfs/dbraw/zinc/79/81/42/1223798142.db2.gz WFTRRDCQWZBDSC-FGTMMUONSA-N 2 1 365.522 0.898 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213435354 1223798144 /nfs/dbraw/zinc/79/81/44/1223798144.db2.gz WFTRRDCQWZBDSC-FGTMMUONSA-N 2 1 365.522 0.898 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446159 1223800304 /nfs/dbraw/zinc/80/03/04/1223800304.db2.gz CJLJDSMWCHOJMR-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446159 1223800306 /nfs/dbraw/zinc/80/03/06/1223800306.db2.gz CJLJDSMWCHOJMR-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446159 1223800309 /nfs/dbraw/zinc/80/03/09/1223800309.db2.gz CJLJDSMWCHOJMR-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213678044 1223831332 /nfs/dbraw/zinc/83/13/32/1223831332.db2.gz APKCATPBECEMAC-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213678044 1223831333 /nfs/dbraw/zinc/83/13/33/1223831333.db2.gz APKCATPBECEMAC-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213678044 1223831336 /nfs/dbraw/zinc/83/13/36/1223831336.db2.gz APKCATPBECEMAC-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730040 1223840307 /nfs/dbraw/zinc/84/03/07/1223840307.db2.gz BWRZLEXDDOKAKV-FGTMMUONSA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730823 1223840908 /nfs/dbraw/zinc/84/09/08/1223840908.db2.gz YUPMOWXQRDNTDX-QZTJIDSGSA-N 2 1 367.465 0.762 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730823 1223840910 /nfs/dbraw/zinc/84/09/10/1223840910.db2.gz YUPMOWXQRDNTDX-QZTJIDSGSA-N 2 1 367.465 0.762 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755445 1223844931 /nfs/dbraw/zinc/84/49/31/1223844931.db2.gz AMAXHIGOTXMLIA-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764947 1223846116 /nfs/dbraw/zinc/84/61/16/1223846116.db2.gz LXBDEFTVHLMKMD-BRWVUGGUSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764947 1223846117 /nfs/dbraw/zinc/84/61/17/1223846117.db2.gz LXBDEFTVHLMKMD-BRWVUGGUSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764947 1223846118 /nfs/dbraw/zinc/84/61/18/1223846118.db2.gz LXBDEFTVHLMKMD-BRWVUGGUSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213764947 1223846119 /nfs/dbraw/zinc/84/61/19/1223846119.db2.gz LXBDEFTVHLMKMD-BRWVUGGUSA-N 2 1 370.538 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC000978156179 1248709515 /nfs/dbraw/zinc/70/95/15/1248709515.db2.gz OCAJQUXVCSHESP-ZKXLYKBJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC000978156179 1248709522 /nfs/dbraw/zinc/70/95/22/1248709522.db2.gz OCAJQUXVCSHESP-ZKXLYKBJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC000978156179 1248709532 /nfs/dbraw/zinc/70/95/32/1248709532.db2.gz OCAJQUXVCSHESP-ZKXLYKBJSA-N 2 1 362.518 0.633 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001214780317 1223941862 /nfs/dbraw/zinc/94/18/62/1223941862.db2.gz UZHSDRXOQLFDPE-KFWWJZLASA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969229 1223960636 /nfs/dbraw/zinc/96/06/36/1223960636.db2.gz MDZVZPLHDRUCSZ-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214969754 1223960732 /nfs/dbraw/zinc/96/07/32/1223960732.db2.gz YVVLKMIQJBOTLS-KFWWJZLASA-N 2 1 360.462 0.336 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001215392955 1223995961 /nfs/dbraw/zinc/99/59/61/1223995961.db2.gz IGEYFIFUEQPNDF-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001215392955 1223995962 /nfs/dbraw/zinc/99/59/62/1223995962.db2.gz IGEYFIFUEQPNDF-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001215416660 1223998236 /nfs/dbraw/zinc/99/82/36/1223998236.db2.gz VYTXFPMVBHPDSM-ZIAGYGMSSA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215539867 1224005432 /nfs/dbraw/zinc/00/54/32/1224005432.db2.gz AXHIRINLMACRPZ-ZXYWRSMDSA-N 2 1 368.497 0.914 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563841 1224006377 /nfs/dbraw/zinc/00/63/77/1224006377.db2.gz RYLMCDDNVAIXGN-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215729390 1224014291 /nfs/dbraw/zinc/01/42/91/1224014291.db2.gz WQNQGZLLBXJRMT-JHJVBQTASA-N 2 1 364.450 0.026 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215977026 1224027890 /nfs/dbraw/zinc/02/78/90/1224027890.db2.gz BTJURFOAMCTJIC-RBSFLKMASA-N 2 1 369.510 0.518 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001216382821 1224047478 /nfs/dbraw/zinc/04/74/78/1224047478.db2.gz DJHDUNPQWMASEE-BFYDXBDKSA-N 2 1 362.474 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216507502 1224053519 /nfs/dbraw/zinc/05/35/19/1224053519.db2.gz YGBPJLJHYBNSPB-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216515430 1224054485 /nfs/dbraw/zinc/05/44/85/1224054485.db2.gz PYRFFDZXTLZPAH-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752432 1224068340 /nfs/dbraw/zinc/06/83/40/1224068340.db2.gz OMPMEPFODAMRJQ-BPLDGKMQSA-N 2 1 362.478 0.055 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752891 1224068397 /nfs/dbraw/zinc/06/83/97/1224068397.db2.gz ZABDYOUKZAICIX-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)no1 ZINC001216756188 1224068852 /nfs/dbraw/zinc/06/88/52/1224068852.db2.gz WCBCQIKQSQORCS-BXUZGUMPSA-N 2 1 360.418 0.563 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844623 1224078708 /nfs/dbraw/zinc/07/87/08/1224078708.db2.gz HAJZFQLYPZPQRQ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361338 1248732908 /nfs/dbraw/zinc/73/29/08/1248732908.db2.gz VTPBEXWFLWQLRP-DVTPXTSXSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361338 1248732912 /nfs/dbraw/zinc/73/29/12/1248732912.db2.gz VTPBEXWFLWQLRP-DVTPXTSXSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361338 1248732924 /nfs/dbraw/zinc/73/29/24/1248732924.db2.gz VTPBEXWFLWQLRP-DVTPXTSXSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361338 1248732936 /nfs/dbraw/zinc/73/29/36/1248732936.db2.gz VTPBEXWFLWQLRP-DVTPXTSXSA-N 2 1 362.474 0.805 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000985440539 1248921792 /nfs/dbraw/zinc/92/17/92/1248921792.db2.gz NSRTWLUILXKEOY-LSDHHAIUSA-N 2 1 364.494 0.262 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000985440539 1248921798 /nfs/dbraw/zinc/92/17/98/1248921798.db2.gz NSRTWLUILXKEOY-LSDHHAIUSA-N 2 1 364.494 0.262 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000985440539 1248921808 /nfs/dbraw/zinc/92/18/08/1248921808.db2.gz NSRTWLUILXKEOY-LSDHHAIUSA-N 2 1 364.494 0.262 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000988038378 1249308069 /nfs/dbraw/zinc/30/80/69/1249308069.db2.gz XDVBOIRYKIKJEO-JFIYKMOQSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000992407513 1249364810 /nfs/dbraw/zinc/36/48/10/1249364810.db2.gz PBTRIIHMMCDAGE-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n[nH]1 ZINC000823771485 1245321417 /nfs/dbraw/zinc/32/14/17/1245321417.db2.gz SSZOYRKLWKMEMU-IAGOWNOFSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n[nH]1 ZINC000823771485 1245321421 /nfs/dbraw/zinc/32/14/21/1245321421.db2.gz SSZOYRKLWKMEMU-IAGOWNOFSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000823771485 1245321424 /nfs/dbraw/zinc/32/14/24/1245321424.db2.gz SSZOYRKLWKMEMU-IAGOWNOFSA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000823771485 1245321428 /nfs/dbraw/zinc/32/14/28/1245321428.db2.gz SSZOYRKLWKMEMU-IAGOWNOFSA-N 2 1 374.489 0.555 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848614825 1245375827 /nfs/dbraw/zinc/37/58/27/1245375827.db2.gz YGWNHYIWPILXFR-MSOLQXFVSA-N 2 1 358.486 0.937 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000994088286 1250187242 /nfs/dbraw/zinc/18/72/42/1250187242.db2.gz KXYMXTDHBJTWSD-MWQQHZPXSA-N 2 1 361.490 0.742 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000994088286 1250187256 /nfs/dbraw/zinc/18/72/56/1250187256.db2.gz KXYMXTDHBJTWSD-MWQQHZPXSA-N 2 1 361.490 0.742 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(C3)CCNC(=O)O4)CC2)CC1 ZINC000888414857 1245445905 /nfs/dbraw/zinc/44/59/05/1245445905.db2.gz PBGGSVHJOKPJNH-UHFFFAOYSA-N 2 1 364.490 0.894 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563227 1245455098 /nfs/dbraw/zinc/45/50/98/1245455098.db2.gz BFKPWNGOTRLXEW-IRXDYDNUSA-N 2 1 367.538 0.470 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891569636 1245455316 /nfs/dbraw/zinc/45/53/16/1245455316.db2.gz RWXYFSMMKAVPQB-YESZJQIVSA-N 2 1 358.490 0.738 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475662 1245558110 /nfs/dbraw/zinc/55/81/10/1245558110.db2.gz CNRYOLOHPBJKSA-QZTJIDSGSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475662 1245558115 /nfs/dbraw/zinc/55/81/15/1245558115.db2.gz CNRYOLOHPBJKSA-QZTJIDSGSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475662 1245558120 /nfs/dbraw/zinc/55/81/20/1245558120.db2.gz CNRYOLOHPBJKSA-QZTJIDSGSA-N 2 1 373.501 0.887 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000919517002 1245606549 /nfs/dbraw/zinc/60/65/49/1245606549.db2.gz FVKJTUKLGVLTHS-IRXDYDNUSA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000919517002 1245606557 /nfs/dbraw/zinc/60/65/57/1245606557.db2.gz FVKJTUKLGVLTHS-IRXDYDNUSA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000919517002 1245606564 /nfs/dbraw/zinc/60/65/64/1245606564.db2.gz FVKJTUKLGVLTHS-IRXDYDNUSA-N 2 1 367.538 0.946 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000922340771 1245668665 /nfs/dbraw/zinc/66/86/65/1245668665.db2.gz HBVNEEBHJLVAPR-SFHVURJKSA-N 2 1 364.534 0.775 20 0 FCADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281094 1245704470 /nfs/dbraw/zinc/70/44/70/1245704470.db2.gz DNCOVDAVPQKYMT-ZWKOTPCHSA-N 2 1 361.486 0.879 20 0 FCADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281092 1245704806 /nfs/dbraw/zinc/70/48/06/1245704806.db2.gz DNCOVDAVPQKYMT-QZTJIDSGSA-N 2 1 361.486 0.879 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923318394 1245707255 /nfs/dbraw/zinc/70/72/55/1245707255.db2.gz IVJSNRUZGYCYEY-KZNAEPCWSA-N 2 1 364.534 0.487 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518325 1245724248 /nfs/dbraw/zinc/72/42/48/1245724248.db2.gz KUVALVMBLQWZSR-IXDOHACOSA-N 2 1 358.486 0.971 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518325 1245724254 /nfs/dbraw/zinc/72/42/54/1245724254.db2.gz KUVALVMBLQWZSR-IXDOHACOSA-N 2 1 358.486 0.971 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521871 1245726516 /nfs/dbraw/zinc/72/65/16/1245726516.db2.gz XPAINZFPCKXEAD-OWCLPIDISA-N 2 1 360.458 0.494 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521871 1245726533 /nfs/dbraw/zinc/72/65/33/1245726533.db2.gz XPAINZFPCKXEAD-OWCLPIDISA-N 2 1 360.458 0.494 20 0 FCADMP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000925003434 1245737608 /nfs/dbraw/zinc/73/76/08/1245737608.db2.gz UXXXPYZOAJSJOQ-IAGOWNOFSA-N 2 1 358.486 0.998 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000938183192 1245833167 /nfs/dbraw/zinc/83/31/67/1245833167.db2.gz XSXUYWNFDRLVIN-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000938183192 1245833174 /nfs/dbraw/zinc/83/31/74/1245833174.db2.gz XSXUYWNFDRLVIN-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000938183192 1245833176 /nfs/dbraw/zinc/83/31/76/1245833176.db2.gz XSXUYWNFDRLVIN-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000938183192 1245833183 /nfs/dbraw/zinc/83/31/83/1245833183.db2.gz XSXUYWNFDRLVIN-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000938325091 1245846020 /nfs/dbraw/zinc/84/60/20/1245846020.db2.gz WHJITEQXVQNFHT-QLFBSQMISA-N 2 1 359.474 0.819 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000939336395 1246039927 /nfs/dbraw/zinc/03/99/27/1246039927.db2.gz SNPPNTUAWTTYIO-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000939336395 1246039934 /nfs/dbraw/zinc/03/99/34/1246039934.db2.gz SNPPNTUAWTTYIO-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000994217150 1250290237 /nfs/dbraw/zinc/29/02/37/1250290237.db2.gz HNISJAZNWJGFIH-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000944654159 1247601488 /nfs/dbraw/zinc/60/14/88/1247601488.db2.gz NVDIAOQXHVLVKK-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000945388630 1247741761 /nfs/dbraw/zinc/74/17/61/1247741761.db2.gz ZCTSUONIFUGBGX-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000945388630 1247741766 /nfs/dbraw/zinc/74/17/66/1247741766.db2.gz ZCTSUONIFUGBGX-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000945388630 1247741772 /nfs/dbraw/zinc/74/17/72/1247741772.db2.gz ZCTSUONIFUGBGX-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1)N1CCC1 ZINC000946631760 1247925725 /nfs/dbraw/zinc/92/57/25/1247925725.db2.gz YDEXORUXIMMJOC-YYIAUSFCSA-N 2 1 371.485 0.916 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642851 1247933016 /nfs/dbraw/zinc/93/30/16/1247933016.db2.gz RVBSDGKXHXMOCH-NQNKBUKLSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642851 1247933026 /nfs/dbraw/zinc/93/30/26/1247933026.db2.gz RVBSDGKXHXMOCH-NQNKBUKLSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642851 1247933037 /nfs/dbraw/zinc/93/30/37/1247933037.db2.gz RVBSDGKXHXMOCH-NQNKBUKLSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642851 1247933043 /nfs/dbraw/zinc/93/30/43/1247933043.db2.gz RVBSDGKXHXMOCH-NQNKBUKLSA-N 2 1 366.506 0.140 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839681 1265440406 /nfs/dbraw/zinc/44/04/06/1265440406.db2.gz KDBALZWVFJHKTQ-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC000976561170 1248243447 /nfs/dbraw/zinc/24/34/47/1248243447.db2.gz PWGUZWAKLMPZGB-WKRUXCHKSA-N 2 1 360.502 0.241 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC[C@H]4C)C[C@H]32)CC[N@H+]1C ZINC000976611825 1248294280 /nfs/dbraw/zinc/29/42/80/1248294280.db2.gz UWDKXMMXHZPURI-WMOPWKTHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CCC[C@H]4C)C[C@H]32)CC[NH+]1C ZINC000976611825 1248294284 /nfs/dbraw/zinc/29/42/84/1248294284.db2.gz UWDKXMMXHZPURI-WMOPWKTHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CCC[C@H]4C)C[C@H]32)CC[NH+]1C ZINC000976611825 1248294290 /nfs/dbraw/zinc/29/42/90/1248294290.db2.gz UWDKXMMXHZPURI-WMOPWKTHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1C ZINC000977195961 1248566606 /nfs/dbraw/zinc/56/66/06/1248566606.db2.gz JYCXZJZNVVUKMO-SQZHQNNWSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC000977195961 1248566618 /nfs/dbraw/zinc/56/66/18/1248566618.db2.gz JYCXZJZNVVUKMO-SQZHQNNWSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC000977195961 1248566625 /nfs/dbraw/zinc/56/66/25/1248566625.db2.gz JYCXZJZNVVUKMO-SQZHQNNWSA-N 2 1 362.518 0.774 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498352 1265517565 /nfs/dbraw/zinc/51/75/65/1265517565.db2.gz YSEDNCXRHRTLHH-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956049 1251091607 /nfs/dbraw/zinc/09/16/07/1251091607.db2.gz FYYJJNFITHYRBQ-OIISXLGYSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956049 1251091612 /nfs/dbraw/zinc/09/16/12/1251091612.db2.gz FYYJJNFITHYRBQ-OIISXLGYSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000996576335 1251393566 /nfs/dbraw/zinc/39/35/66/1251393566.db2.gz PMVIQAQLARCKCD-PMPSAXMXSA-N 2 1 357.458 0.535 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCc4ncnn43)CC2)O1 ZINC000996716137 1251423553 /nfs/dbraw/zinc/42/35/53/1251423553.db2.gz IQVVFEVHJCFRKD-VNQPRFMTSA-N 2 1 362.478 0.065 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCc4ncnn43)CC2)O1 ZINC000996716137 1251423556 /nfs/dbraw/zinc/42/35/56/1251423556.db2.gz IQVVFEVHJCFRKD-VNQPRFMTSA-N 2 1 362.478 0.065 20 0 FCADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996721130 1251424780 /nfs/dbraw/zinc/42/47/80/1251424780.db2.gz XBVIZVXVUMDZRP-CXAGYDPISA-N 2 1 364.494 0.406 20 0 FCADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996721130 1251424784 /nfs/dbraw/zinc/42/47/84/1251424784.db2.gz XBVIZVXVUMDZRP-CXAGYDPISA-N 2 1 364.494 0.406 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC000997011002 1251469993 /nfs/dbraw/zinc/46/99/93/1251469993.db2.gz DLRSSURRTWSCAO-MNLARUNXSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC000997011002 1251470000 /nfs/dbraw/zinc/47/00/00/1251470000.db2.gz DLRSSURRTWSCAO-MNLARUNXSA-N 2 1 359.474 0.780 20 0 FCADMP CCCn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997794239 1251709574 /nfs/dbraw/zinc/70/95/74/1251709574.db2.gz YDSWAOARLPFZRU-GDBMZVCRSA-N 2 1 363.510 0.752 20 0 FCADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC000997859225 1251727703 /nfs/dbraw/zinc/72/77/03/1251727703.db2.gz JSXXHXDKJDFDMG-CRAIPNDOSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC000997859225 1251727710 /nfs/dbraw/zinc/72/77/10/1251727710.db2.gz JSXXHXDKJDFDMG-CRAIPNDOSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997859746 1251728021 /nfs/dbraw/zinc/72/80/21/1251728021.db2.gz LVXBHVKVECPQSG-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997859746 1251728026 /nfs/dbraw/zinc/72/80/26/1251728026.db2.gz LVXBHVKVECPQSG-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998983160 1252014505 /nfs/dbraw/zinc/01/45/05/1252014505.db2.gz JXNIOQNHBVGYBS-IGHZYHEGSA-N 2 1 364.494 0.405 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998983160 1252014511 /nfs/dbraw/zinc/01/45/11/1252014511.db2.gz JXNIOQNHBVGYBS-IGHZYHEGSA-N 2 1 364.494 0.405 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495904 1252127291 /nfs/dbraw/zinc/12/72/91/1252127291.db2.gz MDMLOKFHRUDPQY-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495904 1252127296 /nfs/dbraw/zinc/12/72/96/1252127296.db2.gz MDMLOKFHRUDPQY-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC4CC4)C3)nn2)O1 ZINC000999993669 1252265570 /nfs/dbraw/zinc/26/55/70/1252265570.db2.gz UEOORADGLDPBTQ-KBRIMQKVSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC4CC4)C3)nn2)O1 ZINC000999993669 1252265580 /nfs/dbraw/zinc/26/55/80/1252265580.db2.gz UEOORADGLDPBTQ-KBRIMQKVSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CC4CC4)C3)nn2)O1 ZINC000999993669 1252265591 /nfs/dbraw/zinc/26/55/91/1252265591.db2.gz UEOORADGLDPBTQ-KBRIMQKVSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CC4CC4)C3)nn2)O1 ZINC000999993669 1252265603 /nfs/dbraw/zinc/26/56/03/1252265603.db2.gz UEOORADGLDPBTQ-KBRIMQKVSA-N 2 1 362.478 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001002863314 1252715052 /nfs/dbraw/zinc/71/50/52/1252715052.db2.gz UUSFRYNXGKKGPX-JKSUJKDBSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001003224461 1252814516 /nfs/dbraw/zinc/81/45/16/1252814516.db2.gz IXPWEMPCOSDNOL-CXAGYDPISA-N 2 1 371.441 0.242 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001003224461 1252814526 /nfs/dbraw/zinc/81/45/26/1252814526.db2.gz IXPWEMPCOSDNOL-CXAGYDPISA-N 2 1 371.441 0.242 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC001003791783 1253110218 /nfs/dbraw/zinc/11/02/18/1253110218.db2.gz YRMRSJMIMQYZNK-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC001003791783 1253110224 /nfs/dbraw/zinc/11/02/24/1253110224.db2.gz YRMRSJMIMQYZNK-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC001003791783 1253110228 /nfs/dbraw/zinc/11/02/28/1253110228.db2.gz YRMRSJMIMQYZNK-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC001003791783 1253110240 /nfs/dbraw/zinc/11/02/40/1253110240.db2.gz YRMRSJMIMQYZNK-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001004214134 1253250021 /nfs/dbraw/zinc/25/00/21/1253250021.db2.gz XCBGDCGVZABLQQ-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001004214134 1253250033 /nfs/dbraw/zinc/25/00/33/1253250033.db2.gz XCBGDCGVZABLQQ-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004284960 1253274045 /nfs/dbraw/zinc/27/40/45/1253274045.db2.gz KTURLZZXTPJBGU-NCOADZHNSA-N 2 1 360.502 0.957 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001004363527 1253300004 /nfs/dbraw/zinc/30/00/04/1253300004.db2.gz XUWDXACJVDQXFA-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001005492227 1253566045 /nfs/dbraw/zinc/56/60/45/1253566045.db2.gz LJIIHKHFZUUOEH-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC001006185340 1253723088 /nfs/dbraw/zinc/72/30/88/1253723088.db2.gz QMASIVWJXVCUSU-RRQGHBQHSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC001006185340 1253723090 /nfs/dbraw/zinc/72/30/90/1253723090.db2.gz QMASIVWJXVCUSU-RRQGHBQHSA-N 2 1 361.490 0.885 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994026 1253911971 /nfs/dbraw/zinc/91/19/71/1253911971.db2.gz ISRBZMKSATYWAF-CEXWTWQISA-N 2 1 370.497 0.658 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994026 1253911981 /nfs/dbraw/zinc/91/19/81/1253911981.db2.gz ISRBZMKSATYWAF-CEXWTWQISA-N 2 1 370.497 0.658 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994212 1253912343 /nfs/dbraw/zinc/91/23/43/1253912343.db2.gz QRDRVCULJOMACI-QGTPRVQTSA-N 2 1 358.486 0.514 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994212 1253912356 /nfs/dbraw/zinc/91/23/56/1253912356.db2.gz QRDRVCULJOMACI-QGTPRVQTSA-N 2 1 358.486 0.514 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001033095190 1253944394 /nfs/dbraw/zinc/94/43/94/1253944394.db2.gz SRCSDKCCHQEHPN-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001033095190 1253944397 /nfs/dbraw/zinc/94/43/97/1253944397.db2.gz SRCSDKCCHQEHPN-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001033095190 1253944399 /nfs/dbraw/zinc/94/43/99/1253944399.db2.gz SRCSDKCCHQEHPN-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001033095190 1253944403 /nfs/dbraw/zinc/94/44/03/1253944403.db2.gz SRCSDKCCHQEHPN-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033184723 1253946002 /nfs/dbraw/zinc/94/60/02/1253946002.db2.gz KCIFSTHILZOLLH-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033184723 1253946017 /nfs/dbraw/zinc/94/60/17/1253946017.db2.gz KCIFSTHILZOLLH-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033184723 1253946026 /nfs/dbraw/zinc/94/60/26/1253946026.db2.gz KCIFSTHILZOLLH-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033184723 1253946029 /nfs/dbraw/zinc/94/60/29/1253946029.db2.gz KCIFSTHILZOLLH-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001034218043 1253982455 /nfs/dbraw/zinc/98/24/55/1253982455.db2.gz YGZGZAUDFXQNHM-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034218043 1253982460 /nfs/dbraw/zinc/98/24/60/1253982460.db2.gz YGZGZAUDFXQNHM-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034218043 1253982464 /nfs/dbraw/zinc/98/24/64/1253982464.db2.gz YGZGZAUDFXQNHM-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC001034647495 1253997420 /nfs/dbraw/zinc/99/74/20/1253997420.db2.gz IWPGQMJEGYUXBC-IXYNUQLISA-N 2 1 361.494 0.865 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001034673762 1253998388 /nfs/dbraw/zinc/99/83/88/1253998388.db2.gz BDVZJNDKBUTJPG-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001034673762 1253998392 /nfs/dbraw/zinc/99/83/92/1253998392.db2.gz BDVZJNDKBUTJPG-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@H]4CCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035187535 1254017465 /nfs/dbraw/zinc/01/74/65/1254017465.db2.gz ZMXZBCNNADMIIB-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+]([C@H]4CCN(C)C4=O)C3)CC2)CC[NH+]1C ZINC001035187535 1254017479 /nfs/dbraw/zinc/01/74/79/1254017479.db2.gz ZMXZBCNNADMIIB-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+]([C@H]4CCN(C)C4=O)C3)CC2)CC[NH+]1C ZINC001035187535 1254017495 /nfs/dbraw/zinc/01/74/95/1254017495.db2.gz ZMXZBCNNADMIIB-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4cnnn4C)C3)CC2)CC[N@H+]1C ZINC001035186478 1254018234 /nfs/dbraw/zinc/01/82/34/1254018234.db2.gz DMIKINVSESTSES-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](Cc4cnnn4C)C3)CC2)CC[NH+]1C ZINC001035186478 1254018250 /nfs/dbraw/zinc/01/82/50/1254018250.db2.gz DMIKINVSESTSES-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4cnnn4C)C3)CC2)CC[NH+]1C ZINC001035186478 1254018264 /nfs/dbraw/zinc/01/82/64/1254018264.db2.gz DMIKINVSESTSES-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CCn4cncn4)C3)CC2)CC[N@H+]1C ZINC001035186561 1254019708 /nfs/dbraw/zinc/01/97/08/1254019708.db2.gz HCVBIQMYIBKDMB-IAGOWNOFSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CCn4cncn4)C3)CC2)CC[NH+]1C ZINC001035186561 1254019716 /nfs/dbraw/zinc/01/97/16/1254019716.db2.gz HCVBIQMYIBKDMB-IAGOWNOFSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CCn4cncn4)C3)CC2)CC[NH+]1C ZINC001035186561 1254019723 /nfs/dbraw/zinc/01/97/23/1254019723.db2.gz HCVBIQMYIBKDMB-IAGOWNOFSA-N 2 1 360.506 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732482 1254112307 /nfs/dbraw/zinc/11/23/07/1254112307.db2.gz RNHQJHDTBZZMSE-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732482 1254112313 /nfs/dbraw/zinc/11/23/13/1254112313.db2.gz RNHQJHDTBZZMSE-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)O1 ZINC001060821716 1254139449 /nfs/dbraw/zinc/13/94/49/1254139449.db2.gz FXUMBSBWNKQVKN-QBPKDAKJSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)O1 ZINC001060821716 1254139458 /nfs/dbraw/zinc/13/94/58/1254139458.db2.gz FXUMBSBWNKQVKN-QBPKDAKJSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001061622121 1254195125 /nfs/dbraw/zinc/19/51/25/1254195125.db2.gz MBZWGHDYFQNGAL-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001061622121 1254195130 /nfs/dbraw/zinc/19/51/30/1254195130.db2.gz MBZWGHDYFQNGAL-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001061622121 1254195134 /nfs/dbraw/zinc/19/51/34/1254195134.db2.gz MBZWGHDYFQNGAL-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CCN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223367 1254315581 /nfs/dbraw/zinc/31/55/81/1254315581.db2.gz GIIBAXHDEIPXJO-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063223367 1254315584 /nfs/dbraw/zinc/31/55/84/1254315584.db2.gz GIIBAXHDEIPXJO-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063223367 1254315588 /nfs/dbraw/zinc/31/55/88/1254315588.db2.gz GIIBAXHDEIPXJO-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223367 1254315595 /nfs/dbraw/zinc/31/55/95/1254315595.db2.gz GIIBAXHDEIPXJO-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223367 1254315603 /nfs/dbraw/zinc/31/56/03/1254315603.db2.gz GIIBAXHDEIPXJO-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC001329784441 1265845867 /nfs/dbraw/zinc/84/58/67/1265845867.db2.gz CVHIBPMSHREETG-INIZCTEOSA-N 2 1 362.522 0.862 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550747 1254432143 /nfs/dbraw/zinc/43/21/43/1254432143.db2.gz ZHWQZBZCJVIOSZ-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550747 1254432147 /nfs/dbraw/zinc/43/21/47/1254432147.db2.gz ZHWQZBZCJVIOSZ-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550747 1254432152 /nfs/dbraw/zinc/43/21/52/1254432152.db2.gz ZHWQZBZCJVIOSZ-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550747 1254432159 /nfs/dbraw/zinc/43/21/59/1254432159.db2.gz ZHWQZBZCJVIOSZ-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+](CC)CC)CCO2)CC[N@H+]1C ZINC001065178520 1254479456 /nfs/dbraw/zinc/47/94/56/1254479456.db2.gz UCCTXDZQBGVBBU-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001075798719 1254619969 /nfs/dbraw/zinc/61/99/69/1254619969.db2.gz LTOIYKULSOQCRO-GBESFXJTSA-N 2 1 357.502 0.837 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566833 1254704784 /nfs/dbraw/zinc/70/47/84/1254704784.db2.gz PMNUBJAVNSBAME-QRVBRYPASA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566833 1254704794 /nfs/dbraw/zinc/70/47/94/1254704794.db2.gz PMNUBJAVNSBAME-QRVBRYPASA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566833 1254704802 /nfs/dbraw/zinc/70/48/02/1254704802.db2.gz PMNUBJAVNSBAME-QRVBRYPASA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566833 1254704809 /nfs/dbraw/zinc/70/48/09/1254704809.db2.gz PMNUBJAVNSBAME-QRVBRYPASA-N 2 1 361.486 0.766 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC1 ZINC001077612662 1254776444 /nfs/dbraw/zinc/77/64/44/1254776444.db2.gz NYGATIZJIURLTH-RTBURBONSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC1 ZINC001077612662 1254776457 /nfs/dbraw/zinc/77/64/57/1254776457.db2.gz NYGATIZJIURLTH-RTBURBONSA-N 2 1 359.470 0.720 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001077685418 1254878749 /nfs/dbraw/zinc/87/87/49/1254878749.db2.gz PYIBAKCKMIHYQJ-IPMKNSEASA-N 2 1 363.502 0.991 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777753 1254977654 /nfs/dbraw/zinc/97/76/54/1254977654.db2.gz ZJGZKQYREJUMQL-CGTJXYLNSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777753 1254977660 /nfs/dbraw/zinc/97/76/60/1254977660.db2.gz ZJGZKQYREJUMQL-CGTJXYLNSA-N 2 1 363.506 0.388 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC1 ZINC001077778578 1254981417 /nfs/dbraw/zinc/98/14/17/1254981417.db2.gz RGCXGHAEKXDKRS-GUDVDZBRSA-N 2 1 361.486 0.613 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2O)cn1 ZINC001077818519 1255019236 /nfs/dbraw/zinc/01/92/36/1255019236.db2.gz ZVGBDCNBOJHVNO-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906908 1255088429 /nfs/dbraw/zinc/08/84/29/1255088429.db2.gz QDPHMZLVQJTJHU-ZTFGCOKTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906908 1255088438 /nfs/dbraw/zinc/08/84/38/1255088438.db2.gz QDPHMZLVQJTJHU-ZTFGCOKTSA-N 2 1 371.441 0.469 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927848 1255106179 /nfs/dbraw/zinc/10/61/79/1255106179.db2.gz JAHSXYMRUCDWNE-QZTJIDSGSA-N 2 1 363.506 0.510 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927848 1255106185 /nfs/dbraw/zinc/10/61/85/1255106185.db2.gz JAHSXYMRUCDWNE-QZTJIDSGSA-N 2 1 363.506 0.510 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978355 1255140508 /nfs/dbraw/zinc/14/05/08/1255140508.db2.gz CMGQISWMDVFRRI-IPMKNSEASA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012264 1255169481 /nfs/dbraw/zinc/16/94/81/1255169481.db2.gz ZANPTXUZIPFOEH-RTBURBONSA-N 2 1 355.482 0.932 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175134 1255287864 /nfs/dbraw/zinc/28/78/64/1255287864.db2.gz XAFRYOKWJKNEMQ-KBAYOESNSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175134 1255287865 /nfs/dbraw/zinc/28/78/65/1255287865.db2.gz XAFRYOKWJKNEMQ-KBAYOESNSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175134 1255287873 /nfs/dbraw/zinc/28/78/73/1255287873.db2.gz XAFRYOKWJKNEMQ-KBAYOESNSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175134 1255287878 /nfs/dbraw/zinc/28/78/78/1255287878.db2.gz XAFRYOKWJKNEMQ-KBAYOESNSA-N 2 1 360.458 0.258 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179163 1255293156 /nfs/dbraw/zinc/29/31/56/1255293156.db2.gz VZAUMDFOXYSZLW-QZTJIDSGSA-N 2 1 361.486 0.885 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179163 1255293162 /nfs/dbraw/zinc/29/31/62/1255293162.db2.gz VZAUMDFOXYSZLW-QZTJIDSGSA-N 2 1 361.486 0.885 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078403799 1255407121 /nfs/dbraw/zinc/40/71/21/1255407121.db2.gz IWIKDMGYMKUTCS-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncccn3)C2)CC[N@@H+]1C ZINC001078403783 1255407372 /nfs/dbraw/zinc/40/73/72/1255407372.db2.gz IPCKIFQQWSTAQT-YESZJQIVSA-N 2 1 361.490 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncccn3)C2)CC[N@H+]1C ZINC001078403783 1255407374 /nfs/dbraw/zinc/40/73/74/1255407374.db2.gz IPCKIFQQWSTAQT-YESZJQIVSA-N 2 1 361.490 0.914 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405379 1255408595 /nfs/dbraw/zinc/40/85/95/1255408595.db2.gz LXABYWJZTYPHET-FHLIZLRMSA-N 2 1 361.490 0.832 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079189152 1255468232 /nfs/dbraw/zinc/46/82/32/1255468232.db2.gz FQAZLSKAIHTIIM-GVDBMIGSSA-N 2 1 362.449 0.679 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079251340 1255488016 /nfs/dbraw/zinc/48/80/16/1255488016.db2.gz RIIJUCSMAWXPBS-DLBZAZTESA-N 2 1 362.474 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)O1 ZINC001079299169 1255503638 /nfs/dbraw/zinc/50/36/38/1255503638.db2.gz ANHJNXBYZHHMOO-AETAKHFUSA-N 2 1 365.449 0.421 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)O1 ZINC001079299169 1255503642 /nfs/dbraw/zinc/50/36/42/1255503642.db2.gz ANHJNXBYZHHMOO-AETAKHFUSA-N 2 1 365.449 0.421 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079310695 1255505663 /nfs/dbraw/zinc/50/56/63/1255505663.db2.gz DSRCDNSRCXIWDE-UKPHBRMFSA-N 2 1 362.449 0.679 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681218 1255569894 /nfs/dbraw/zinc/56/98/94/1255569894.db2.gz ATJDSZAOHICJSR-BZUAXINKSA-N 2 1 364.490 0.445 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681218 1255569906 /nfs/dbraw/zinc/56/99/06/1255569906.db2.gz ATJDSZAOHICJSR-BZUAXINKSA-N 2 1 364.490 0.445 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681218 1255569911 /nfs/dbraw/zinc/56/99/11/1255569911.db2.gz ATJDSZAOHICJSR-BZUAXINKSA-N 2 1 364.490 0.445 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710585 1255583519 /nfs/dbraw/zinc/58/35/19/1255583519.db2.gz OMIAVRPPKFDVMX-BPQIPLTHSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710585 1255583526 /nfs/dbraw/zinc/58/35/26/1255583526.db2.gz OMIAVRPPKFDVMX-BPQIPLTHSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135001 1255755800 /nfs/dbraw/zinc/75/58/00/1255755800.db2.gz LCVSHQRJZPNEEG-DFBGVHRSSA-N 2 1 355.398 0.190 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135001 1255755806 /nfs/dbraw/zinc/75/58/06/1255755806.db2.gz LCVSHQRJZPNEEG-DFBGVHRSSA-N 2 1 355.398 0.190 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135303 1255756374 /nfs/dbraw/zinc/75/63/74/1255756374.db2.gz ZVGOQQYGMZJLMR-RHSMWYFYSA-N 2 1 371.441 0.243 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135303 1255756383 /nfs/dbraw/zinc/75/63/83/1255756383.db2.gz ZVGOQQYGMZJLMR-RHSMWYFYSA-N 2 1 371.441 0.243 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160925 1255765663 /nfs/dbraw/zinc/76/56/63/1255765663.db2.gz DWGRYKACQLXUQR-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160925 1255765671 /nfs/dbraw/zinc/76/56/71/1255765671.db2.gz DWGRYKACQLXUQR-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160925 1255765674 /nfs/dbraw/zinc/76/56/74/1255765674.db2.gz DWGRYKACQLXUQR-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160925 1255765678 /nfs/dbraw/zinc/76/56/78/1255765678.db2.gz DWGRYKACQLXUQR-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161323 1255766421 /nfs/dbraw/zinc/76/64/21/1255766421.db2.gz WWEALJJWACVHJV-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161323 1255766425 /nfs/dbraw/zinc/76/64/25/1255766425.db2.gz WWEALJJWACVHJV-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161323 1255766430 /nfs/dbraw/zinc/76/64/30/1255766430.db2.gz WWEALJJWACVHJV-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161323 1255766433 /nfs/dbraw/zinc/76/64/33/1255766433.db2.gz WWEALJJWACVHJV-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080192456 1255780678 /nfs/dbraw/zinc/78/06/78/1255780678.db2.gz MDJZHPXFKLHLRX-IIDMSEBBSA-N 2 1 360.502 0.975 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080192456 1255780683 /nfs/dbraw/zinc/78/06/83/1255780683.db2.gz MDJZHPXFKLHLRX-IIDMSEBBSA-N 2 1 360.502 0.975 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318217 1255838986 /nfs/dbraw/zinc/83/89/86/1255838986.db2.gz KKJPOFRYIJMSST-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318217 1255838996 /nfs/dbraw/zinc/83/89/96/1255838996.db2.gz KKJPOFRYIJMSST-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318217 1255839007 /nfs/dbraw/zinc/83/90/07/1255839007.db2.gz KKJPOFRYIJMSST-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318217 1255839016 /nfs/dbraw/zinc/83/90/16/1255839016.db2.gz KKJPOFRYIJMSST-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001080342533 1255855838 /nfs/dbraw/zinc/85/58/38/1255855838.db2.gz ZMJMXBSCDWMPMV-UKPHBRMFSA-N 2 1 357.462 0.482 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001080342533 1255855849 /nfs/dbraw/zinc/85/58/49/1255855849.db2.gz ZMJMXBSCDWMPMV-UKPHBRMFSA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787516 1256038315 /nfs/dbraw/zinc/03/83/15/1256038315.db2.gz DLRSPPZCWAZRQF-RHSMWYFYSA-N 2 1 356.470 0.818 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081098211 1256176467 /nfs/dbraw/zinc/17/64/67/1256176467.db2.gz ZWUVBXZYWKVDHP-RCCFBDPRSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081098211 1256176475 /nfs/dbraw/zinc/17/64/75/1256176475.db2.gz ZWUVBXZYWKVDHP-RCCFBDPRSA-N 2 1 368.485 0.994 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001081884480 1256430814 /nfs/dbraw/zinc/43/08/14/1256430814.db2.gz AFZOFYZWNBDVHM-BRWVUGGUSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001081884480 1256430815 /nfs/dbraw/zinc/43/08/15/1256430815.db2.gz AFZOFYZWNBDVHM-BRWVUGGUSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001081884480 1256430819 /nfs/dbraw/zinc/43/08/19/1256430819.db2.gz AFZOFYZWNBDVHM-BRWVUGGUSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001081884480 1256430820 /nfs/dbraw/zinc/43/08/20/1256430820.db2.gz AFZOFYZWNBDVHM-BRWVUGGUSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893745 1256437244 /nfs/dbraw/zinc/43/72/44/1256437244.db2.gz BXHHTQHJEBXEQG-IAGOWNOFSA-N 2 1 361.490 0.406 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893745 1256437247 /nfs/dbraw/zinc/43/72/47/1256437247.db2.gz BXHHTQHJEBXEQG-IAGOWNOFSA-N 2 1 361.490 0.406 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290107 1256634821 /nfs/dbraw/zinc/63/48/21/1256634821.db2.gz JLWKONIKRYEQHJ-QZTJIDSGSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368459 1256717252 /nfs/dbraw/zinc/71/72/52/1256717252.db2.gz CEGJSMJFJSOTMI-KFKAGJAMSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368459 1256717255 /nfs/dbraw/zinc/71/72/55/1256717255.db2.gz CEGJSMJFJSOTMI-KFKAGJAMSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368459 1256717258 /nfs/dbraw/zinc/71/72/58/1256717258.db2.gz CEGJSMJFJSOTMI-KFKAGJAMSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368459 1256717260 /nfs/dbraw/zinc/71/72/60/1256717260.db2.gz CEGJSMJFJSOTMI-KFKAGJAMSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372057 1256722804 /nfs/dbraw/zinc/72/28/04/1256722804.db2.gz QMGBFDDSELBJNZ-HZPDHXFCSA-N 2 1 363.462 0.019 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372057 1256722809 /nfs/dbraw/zinc/72/28/09/1256722809.db2.gz QMGBFDDSELBJNZ-HZPDHXFCSA-N 2 1 363.462 0.019 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082457943 1256770163 /nfs/dbraw/zinc/77/01/63/1256770163.db2.gz OXVWTFHGEBTFMX-KBRIMQKVSA-N 2 1 360.458 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082457943 1256770169 /nfs/dbraw/zinc/77/01/69/1256770169.db2.gz OXVWTFHGEBTFMX-KBRIMQKVSA-N 2 1 360.458 0.053 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1C ZINC001082515779 1256799958 /nfs/dbraw/zinc/79/99/58/1256799958.db2.gz YMKRBYCTABJCBY-VNQPRFMTSA-N 2 1 360.506 0.656 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001082517746 1256801486 /nfs/dbraw/zinc/80/14/86/1256801486.db2.gz CIGXKAGNHMJBAF-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001082544507 1256833995 /nfs/dbraw/zinc/83/39/95/1256833995.db2.gz GIDPBHNLEGINFT-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544507 1256834004 /nfs/dbraw/zinc/83/40/04/1256834004.db2.gz GIDPBHNLEGINFT-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082559258 1256857243 /nfs/dbraw/zinc/85/72/43/1256857243.db2.gz ZQPNRGVHQLMAEJ-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082592609 1256905078 /nfs/dbraw/zinc/90/50/78/1256905078.db2.gz NZOTUFHXHIGMKU-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082719471 1257010791 /nfs/dbraw/zinc/01/07/91/1257010791.db2.gz LJFUIZJVQJCEQL-CZUORRHYSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)C1 ZINC001082741778 1257020194 /nfs/dbraw/zinc/02/01/94/1257020194.db2.gz CEUNAJWERIEALU-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)C1 ZINC001082741778 1257020203 /nfs/dbraw/zinc/02/02/03/1257020203.db2.gz CEUNAJWERIEALU-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)C1 ZINC001082742074 1257021806 /nfs/dbraw/zinc/02/18/06/1257021806.db2.gz PZPZILQBUXXLHS-MGPQQGTHSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)C1 ZINC001082742074 1257021813 /nfs/dbraw/zinc/02/18/13/1257021813.db2.gz PZPZILQBUXXLHS-MGPQQGTHSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082742506 1257022516 /nfs/dbraw/zinc/02/25/16/1257022516.db2.gz HXJNEJXFKZGGLT-LBTNJELSSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082742506 1257022525 /nfs/dbraw/zinc/02/25/25/1257022525.db2.gz HXJNEJXFKZGGLT-LBTNJELSSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)C1 ZINC001082742384 1257024057 /nfs/dbraw/zinc/02/40/57/1257024057.db2.gz CZAQKWRXOZCWSJ-IIDMSEBBSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)C1 ZINC001082742384 1257024065 /nfs/dbraw/zinc/02/40/65/1257024065.db2.gz CZAQKWRXOZCWSJ-IIDMSEBBSA-N 2 1 360.506 0.966 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)nc1 ZINC001082798154 1257057168 /nfs/dbraw/zinc/05/71/68/1257057168.db2.gz DMNFOBGGXOIOIQ-NVXWUHKLSA-N 2 1 371.489 0.793 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082827003 1257085009 /nfs/dbraw/zinc/08/50/09/1257085009.db2.gz WYSKGXVNAHYUSW-CXAGYDPISA-N 2 1 366.429 0.646 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082920785 1257145818 /nfs/dbraw/zinc/14/58/18/1257145818.db2.gz DVIMNGHOODEDLP-BFYDXBDKSA-N 2 1 369.473 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082920785 1257145820 /nfs/dbraw/zinc/14/58/20/1257145820.db2.gz DVIMNGHOODEDLP-BFYDXBDKSA-N 2 1 369.473 0.551 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001082922482 1257146695 /nfs/dbraw/zinc/14/66/95/1257146695.db2.gz HMBBCOGSFJDGEW-CXAGYDPISA-N 2 1 355.442 0.927 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933931 1257155217 /nfs/dbraw/zinc/15/52/17/1257155217.db2.gz PESVXBBETIHZOM-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933931 1257155221 /nfs/dbraw/zinc/15/52/21/1257155221.db2.gz PESVXBBETIHZOM-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001083749747 1257488693 /nfs/dbraw/zinc/48/86/93/1257488693.db2.gz PARPOMZEIPMJHQ-MOPGFXCFSA-N 2 1 361.486 0.836 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC1 ZINC001083749977 1257489507 /nfs/dbraw/zinc/48/95/07/1257489507.db2.gz ZPSWORZJFNXEIF-SJORKVTESA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC1 ZINC001083749977 1257489510 /nfs/dbraw/zinc/48/95/10/1257489510.db2.gz ZPSWORZJFNXEIF-SJORKVTESA-N 2 1 359.430 0.226 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778171 1257519376 /nfs/dbraw/zinc/51/93/76/1257519376.db2.gz DMYNNOSXLBOVEZ-WDYCEAGBSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778171 1257519380 /nfs/dbraw/zinc/51/93/80/1257519380.db2.gz DMYNNOSXLBOVEZ-WDYCEAGBSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778171 1257519383 /nfs/dbraw/zinc/51/93/83/1257519383.db2.gz DMYNNOSXLBOVEZ-WDYCEAGBSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778171 1257519389 /nfs/dbraw/zinc/51/93/89/1257519389.db2.gz DMYNNOSXLBOVEZ-WDYCEAGBSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC001521424934 1266120422 /nfs/dbraw/zinc/12/04/22/1266120422.db2.gz MVZURKQNTMLJBJ-ZIAGYGMSSA-N 2 1 352.479 0.889 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521482815 1266126518 /nfs/dbraw/zinc/12/65/18/1266126518.db2.gz VPLYDWCTLJCFLX-ZBFHGGJFSA-N 2 1 350.463 0.645 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968630 1266123833 /nfs/dbraw/zinc/12/38/33/1266123833.db2.gz FGERTMLGZONDLT-IEBWSBKVSA-N 2 1 366.550 0.925 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc2)CC1 ZINC001521495738 1266127189 /nfs/dbraw/zinc/12/71/89/1266127189.db2.gz JJAKATNLFWNSBH-QGZVFWFLSA-N 2 1 362.474 0.430 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)CN1CC[NH+](C)CC1 ZINC001521503676 1266128839 /nfs/dbraw/zinc/12/88/39/1266128839.db2.gz JZIQDDPAQKNQHL-ZJPYXAASSA-N 2 1 352.523 0.533 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937051 1257722746 /nfs/dbraw/zinc/72/27/46/1257722746.db2.gz KFRMIEVHOGTMLU-QRQLOZEOSA-N 2 1 365.518 0.696 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954355 1257742372 /nfs/dbraw/zinc/74/23/72/1257742372.db2.gz WLBLJOMWLSTXIU-XYPHTWIQSA-N 2 1 359.430 0.226 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954355 1257742376 /nfs/dbraw/zinc/74/23/76/1257742376.db2.gz WLBLJOMWLSTXIU-XYPHTWIQSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954355 1257742378 /nfs/dbraw/zinc/74/23/78/1257742378.db2.gz WLBLJOMWLSTXIU-XYPHTWIQSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954355 1257742382 /nfs/dbraw/zinc/74/23/82/1257742382.db2.gz WLBLJOMWLSTXIU-XYPHTWIQSA-N 2 1 359.430 0.226 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954678 1257743886 /nfs/dbraw/zinc/74/38/86/1257743886.db2.gz CIPGFVCCPHYUEK-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954678 1257743891 /nfs/dbraw/zinc/74/38/91/1257743891.db2.gz CIPGFVCCPHYUEK-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954678 1257743898 /nfs/dbraw/zinc/74/38/98/1257743898.db2.gz CIPGFVCCPHYUEK-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954678 1257743905 /nfs/dbraw/zinc/74/39/05/1257743905.db2.gz CIPGFVCCPHYUEK-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001083961873 1257754048 /nfs/dbraw/zinc/75/40/48/1257754048.db2.gz LDKKLPPQKYNUHW-KYJSFNMBSA-N 2 1 362.474 0.882 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001083961873 1257754052 /nfs/dbraw/zinc/75/40/52/1257754052.db2.gz LDKKLPPQKYNUHW-KYJSFNMBSA-N 2 1 362.474 0.882 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053834 1257866039 /nfs/dbraw/zinc/86/60/39/1257866039.db2.gz MSUMOPRGSOHFOF-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053834 1257866051 /nfs/dbraw/zinc/86/60/51/1257866051.db2.gz MSUMOPRGSOHFOF-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053834 1257866064 /nfs/dbraw/zinc/86/60/64/1257866064.db2.gz MSUMOPRGSOHFOF-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC001084356061 1258047111 /nfs/dbraw/zinc/04/71/11/1258047111.db2.gz XSUHFFQPPPTCLA-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)CC[N@H+]1C ZINC001084356061 1258047118 /nfs/dbraw/zinc/04/71/18/1258047118.db2.gz XSUHFFQPPPTCLA-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC001084356061 1258047123 /nfs/dbraw/zinc/04/71/23/1258047123.db2.gz XSUHFFQPPPTCLA-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC001084356061 1258047130 /nfs/dbraw/zinc/04/71/30/1258047130.db2.gz XSUHFFQPPPTCLA-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403435 1258081426 /nfs/dbraw/zinc/08/14/26/1258081426.db2.gz UXOVVMPUFXLFPN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403435 1258081435 /nfs/dbraw/zinc/08/14/35/1258081435.db2.gz UXOVVMPUFXLFPN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403435 1258081443 /nfs/dbraw/zinc/08/14/43/1258081443.db2.gz UXOVVMPUFXLFPN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403435 1258081451 /nfs/dbraw/zinc/08/14/51/1258081451.db2.gz UXOVVMPUFXLFPN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001084408890 1258085761 /nfs/dbraw/zinc/08/57/61/1258085761.db2.gz BARIMNBFFWEGQO-SJLPKXTDSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001084408890 1258085770 /nfs/dbraw/zinc/08/57/70/1258085770.db2.gz BARIMNBFFWEGQO-SJLPKXTDSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001084408890 1258085775 /nfs/dbraw/zinc/08/57/75/1258085775.db2.gz BARIMNBFFWEGQO-SJLPKXTDSA-N 2 1 358.486 0.902 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484046 1258128227 /nfs/dbraw/zinc/12/82/27/1258128227.db2.gz AJXRDWRZYCEEFN-BRWVUGGUSA-N 2 1 360.502 0.768 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484046 1258128233 /nfs/dbraw/zinc/12/82/33/1258128233.db2.gz AJXRDWRZYCEEFN-BRWVUGGUSA-N 2 1 360.502 0.768 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661255 1258224295 /nfs/dbraw/zinc/22/42/95/1258224295.db2.gz NCXLAUWDFQLIEI-ARFHVFGLSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661255 1258224300 /nfs/dbraw/zinc/22/43/00/1258224300.db2.gz NCXLAUWDFQLIEI-ARFHVFGLSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661255 1258224305 /nfs/dbraw/zinc/22/43/05/1258224305.db2.gz NCXLAUWDFQLIEI-ARFHVFGLSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661255 1258224309 /nfs/dbraw/zinc/22/43/09/1258224309.db2.gz NCXLAUWDFQLIEI-ARFHVFGLSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663323 1258225519 /nfs/dbraw/zinc/22/55/19/1258225519.db2.gz XEXZGZXHEHEHIN-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663323 1258225528 /nfs/dbraw/zinc/22/55/28/1258225528.db2.gz XEXZGZXHEHEHIN-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663323 1258225532 /nfs/dbraw/zinc/22/55/32/1258225532.db2.gz XEXZGZXHEHEHIN-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663323 1258225538 /nfs/dbraw/zinc/22/55/38/1258225538.db2.gz XEXZGZXHEHEHIN-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702066 1258251160 /nfs/dbraw/zinc/25/11/60/1258251160.db2.gz FGOXQEURNZTWJK-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773494 1258313463 /nfs/dbraw/zinc/31/34/63/1258313463.db2.gz RWLRVMKVFSQSTL-JFIYKMOQSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773494 1258313471 /nfs/dbraw/zinc/31/34/71/1258313471.db2.gz RWLRVMKVFSQSTL-JFIYKMOQSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773494 1258313479 /nfs/dbraw/zinc/31/34/79/1258313479.db2.gz RWLRVMKVFSQSTL-JFIYKMOQSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773494 1258313489 /nfs/dbraw/zinc/31/34/89/1258313489.db2.gz RWLRVMKVFSQSTL-JFIYKMOQSA-N 2 1 360.506 0.981 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773564 1258315168 /nfs/dbraw/zinc/31/51/68/1258315168.db2.gz UUINMIPMOYTCRP-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773564 1258315177 /nfs/dbraw/zinc/31/51/77/1258315177.db2.gz UUINMIPMOYTCRP-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773564 1258315186 /nfs/dbraw/zinc/31/51/86/1258315186.db2.gz UUINMIPMOYTCRP-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773564 1258315194 /nfs/dbraw/zinc/31/51/94/1258315194.db2.gz UUINMIPMOYTCRP-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775761 1258318185 /nfs/dbraw/zinc/31/81/85/1258318185.db2.gz TVHAQDSJQOWRGV-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775761 1258318195 /nfs/dbraw/zinc/31/81/95/1258318195.db2.gz TVHAQDSJQOWRGV-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775761 1258318203 /nfs/dbraw/zinc/31/82/03/1258318203.db2.gz TVHAQDSJQOWRGV-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001084833941 1258379306 /nfs/dbraw/zinc/37/93/06/1258379306.db2.gz CLRKRIWYLOSNFY-BHIYHBOVSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)C1CC1 ZINC001084958827 1258468971 /nfs/dbraw/zinc/46/89/71/1258468971.db2.gz XTHIINHYBXOSAC-PVAVHDDUSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970163 1258482570 /nfs/dbraw/zinc/48/25/70/1258482570.db2.gz REEAITYCLWRMKT-NRSFXHEJSA-N 2 1 361.490 0.562 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970163 1258482575 /nfs/dbraw/zinc/48/25/75/1258482575.db2.gz REEAITYCLWRMKT-NRSFXHEJSA-N 2 1 361.490 0.562 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970163 1258482579 /nfs/dbraw/zinc/48/25/79/1258482579.db2.gz REEAITYCLWRMKT-NRSFXHEJSA-N 2 1 361.490 0.562 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970163 1258482583 /nfs/dbraw/zinc/48/25/83/1258482583.db2.gz REEAITYCLWRMKT-NRSFXHEJSA-N 2 1 361.490 0.562 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)CC1 ZINC001085062457 1258557730 /nfs/dbraw/zinc/55/77/30/1258557730.db2.gz VUKCZCJZNAERDC-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)CC1 ZINC001085062457 1258557733 /nfs/dbraw/zinc/55/77/33/1258557733.db2.gz VUKCZCJZNAERDC-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP O=C(N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076135 1258571955 /nfs/dbraw/zinc/57/19/55/1258571955.db2.gz MCZSIZCYEWUVHM-CVEARBPZSA-N 2 1 361.490 0.030 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001085159315 1258611245 /nfs/dbraw/zinc/61/12/45/1258611245.db2.gz PDFBSOOOXULOGS-KZNAEPCWSA-N 2 1 363.506 0.793 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001085159315 1258611255 /nfs/dbraw/zinc/61/12/55/1258611255.db2.gz PDFBSOOOXULOGS-KZNAEPCWSA-N 2 1 363.506 0.793 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001085202175 1258629380 /nfs/dbraw/zinc/62/93/80/1258629380.db2.gz QSNROEPQXZLURE-KLHDSHLOSA-N 2 1 364.490 0.493 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1 ZINC001088140417 1258652305 /nfs/dbraw/zinc/65/23/05/1258652305.db2.gz KWMOSZKJNSEMHT-MSOLQXFVSA-N 2 1 361.490 0.386 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CCn3cccn3)CC[C@@H]2C1 ZINC001088140417 1258652313 /nfs/dbraw/zinc/65/23/13/1258652313.db2.gz KWMOSZKJNSEMHT-MSOLQXFVSA-N 2 1 361.490 0.386 20 0 FCADMP O=C(N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088171726 1258691072 /nfs/dbraw/zinc/69/10/72/1258691072.db2.gz DQZOBJFNRUIYEI-IKGGRYGDSA-N 2 1 370.501 0.642 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199177 1258720519 /nfs/dbraw/zinc/72/05/19/1258720519.db2.gz DTNXHMKJGJKJIY-SQNIBIBYSA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199177 1258720524 /nfs/dbraw/zinc/72/05/24/1258720524.db2.gz DTNXHMKJGJKJIY-SQNIBIBYSA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199177 1258720527 /nfs/dbraw/zinc/72/05/27/1258720527.db2.gz DTNXHMKJGJKJIY-SQNIBIBYSA-N 2 1 358.486 0.617 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200264 1258720870 /nfs/dbraw/zinc/72/08/70/1258720870.db2.gz VQKHNITXOWJBNR-KURKYZTESA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200264 1258720877 /nfs/dbraw/zinc/72/08/77/1258720877.db2.gz VQKHNITXOWJBNR-KURKYZTESA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200264 1258720881 /nfs/dbraw/zinc/72/08/81/1258720881.db2.gz VQKHNITXOWJBNR-KURKYZTESA-N 2 1 360.506 0.627 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199999 1258721481 /nfs/dbraw/zinc/72/14/81/1258721481.db2.gz LDZNGOQBRYGDMS-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199999 1258721483 /nfs/dbraw/zinc/72/14/83/1258721483.db2.gz LDZNGOQBRYGDMS-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199999 1258721485 /nfs/dbraw/zinc/72/14/85/1258721485.db2.gz LDZNGOQBRYGDMS-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088201138 1258724801 /nfs/dbraw/zinc/72/48/01/1258724801.db2.gz MWHWVZYNQIHJHI-KSZLIROESA-N 2 1 362.518 0.779 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1)N1CCC1 ZINC001088211587 1258734405 /nfs/dbraw/zinc/73/44/05/1258734405.db2.gz RCRNHKNXKBYITN-MSOLQXFVSA-N 2 1 362.518 0.875 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088212874 1258736144 /nfs/dbraw/zinc/73/61/44/1258736144.db2.gz YAAWBNGISSAIKS-ZIFCJYIRSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092658167 1258810529 /nfs/dbraw/zinc/81/05/29/1258810529.db2.gz KBYRQXJEYGCXCE-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658167 1258810536 /nfs/dbraw/zinc/81/05/36/1258810536.db2.gz KBYRQXJEYGCXCE-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658167 1258810547 /nfs/dbraw/zinc/81/05/47/1258810547.db2.gz KBYRQXJEYGCXCE-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722111 1258819428 /nfs/dbraw/zinc/81/94/28/1258819428.db2.gz VOHPDDAWTRJXAB-BRWVUGGUSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829815 1258859487 /nfs/dbraw/zinc/85/94/87/1258859487.db2.gz IIAAKLGQALVHJC-UNEWFSDZSA-N 2 1 355.442 0.863 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)CC2 ZINC001106591173 1258927266 /nfs/dbraw/zinc/92/72/66/1258927266.db2.gz QKPWLTXEJCWUHV-HYVNUMGLSA-N 2 1 371.489 0.730 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106662992 1258936251 /nfs/dbraw/zinc/93/62/51/1258936251.db2.gz MHOXXMTUVDZOAD-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672865 1258938028 /nfs/dbraw/zinc/93/80/28/1258938028.db2.gz MKUZTSHPMVDQJJ-ZIAGYGMSSA-N 2 1 369.510 0.104 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001106840521 1258975082 /nfs/dbraw/zinc/97/50/82/1258975082.db2.gz REODYLJRAIMNLK-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP [NH3+]Cc1ccccc1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001331489437 1266225546 /nfs/dbraw/zinc/22/55/46/1266225546.db2.gz RZKAMRKSLGYWOJ-UHFFFAOYSA-N 2 1 366.465 0.936 20 0 FCADMP [NH3+]Cc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001331489437 1266225554 /nfs/dbraw/zinc/22/55/54/1266225554.db2.gz RZKAMRKSLGYWOJ-UHFFFAOYSA-N 2 1 366.465 0.936 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001107008939 1259016877 /nfs/dbraw/zinc/01/68/77/1259016877.db2.gz DAQNWLGYVJDWLF-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001107008939 1259016879 /nfs/dbraw/zinc/01/68/79/1259016879.db2.gz DAQNWLGYVJDWLF-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001107039431 1259022195 /nfs/dbraw/zinc/02/21/95/1259022195.db2.gz RJQGCXYQXXVMCJ-HZPDHXFCSA-N 2 1 364.490 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001107037243 1259022582 /nfs/dbraw/zinc/02/25/82/1259022582.db2.gz YNIOBWBEWULVBF-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001107074505 1259028371 /nfs/dbraw/zinc/02/83/71/1259028371.db2.gz AFOMSAHDZCYWLP-SJLPKXTDSA-N 2 1 360.502 0.891 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001107074505 1259028378 /nfs/dbraw/zinc/02/83/78/1259028378.db2.gz AFOMSAHDZCYWLP-SJLPKXTDSA-N 2 1 360.502 0.891 20 0 FCADMP CCOCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107173056 1259035428 /nfs/dbraw/zinc/03/54/28/1259035428.db2.gz ZKENYMKKRIVUEN-RHSMWYFYSA-N 2 1 364.494 0.518 20 0 FCADMP CCOCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107173056 1259035433 /nfs/dbraw/zinc/03/54/33/1259035433.db2.gz ZKENYMKKRIVUEN-RHSMWYFYSA-N 2 1 364.494 0.518 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2)C1CC1 ZINC001107439358 1259089323 /nfs/dbraw/zinc/08/93/23/1259089323.db2.gz XJBNJZBKVXHDMM-YVWKXTFCSA-N 2 1 362.518 0.966 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530658 1259109525 /nfs/dbraw/zinc/10/95/25/1259109525.db2.gz FJUUJQHBPKYLSD-YQVWRLOYSA-N 2 1 371.522 0.323 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593025 1259128597 /nfs/dbraw/zinc/12/85/97/1259128597.db2.gz FHQIVKKNOSXQBB-VQIMIIECSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107609188 1259132173 /nfs/dbraw/zinc/13/21/73/1259132173.db2.gz HIQDNCFORUCXIV-YQVWRLOYSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)C1 ZINC001107609188 1259132181 /nfs/dbraw/zinc/13/21/81/1259132181.db2.gz HIQDNCFORUCXIV-YQVWRLOYSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)C1 ZINC001107609188 1259132183 /nfs/dbraw/zinc/13/21/83/1259132183.db2.gz HIQDNCFORUCXIV-YQVWRLOYSA-N 2 1 360.506 0.981 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608356 1259132753 /nfs/dbraw/zinc/13/27/53/1259132753.db2.gz NMZJKTPNOUDARN-VQIMIIECSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCOC)C3)C2)CC[N@@H+]1C ZINC001108546199 1259157178 /nfs/dbraw/zinc/15/71/78/1259157178.db2.gz QEKSKCXRGIRYHH-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCOC)C3)C2)CC[N@H+]1C ZINC001108546199 1259157184 /nfs/dbraw/zinc/15/71/84/1259157184.db2.gz QEKSKCXRGIRYHH-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403756 1259158180 /nfs/dbraw/zinc/15/81/80/1259158180.db2.gz XDEOWKAXJICHGM-QZWWFDLISA-N 2 1 369.506 0.216 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1C ZINC001127643720 1259183583 /nfs/dbraw/zinc/18/35/83/1259183583.db2.gz IRAHSXRXSIEFLD-IIAWOOMASA-N 2 1 362.449 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001127701879 1259184830 /nfs/dbraw/zinc/18/48/30/1259184830.db2.gz ZMOWWSXAPUKMAM-BHYGNILZSA-N 2 1 364.494 0.251 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@H+]1C ZINC001127701879 1259184833 /nfs/dbraw/zinc/18/48/33/1259184833.db2.gz ZMOWWSXAPUKMAM-BHYGNILZSA-N 2 1 364.494 0.251 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001127707238 1259184869 /nfs/dbraw/zinc/18/48/69/1259184869.db2.gz WTMRFMIEHFXZBR-SOUVJXGZSA-N 2 1 369.510 0.293 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)Nc2ccccc2)CC[N@H+]1C ZINC001127690525 1259185281 /nfs/dbraw/zinc/18/52/81/1259185281.db2.gz MGSODPLLWGGLCK-UKRRQHHQSA-N 2 1 361.446 0.381 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC001331590615 1266245332 /nfs/dbraw/zinc/24/53/32/1266245332.db2.gz QVCVLURFKPFUOE-IXDOHACOSA-N 2 1 368.522 0.579 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001129042899 1259295392 /nfs/dbraw/zinc/29/53/92/1259295392.db2.gz BMLXGZBKVILNKB-CVEARBPZSA-N 2 1 361.450 0.402 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129089557 1259308383 /nfs/dbraw/zinc/30/83/83/1259308383.db2.gz KMRNQCQOFVRENB-XHSDSOJGSA-N 2 1 366.510 0.775 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129089557 1259308389 /nfs/dbraw/zinc/30/83/89/1259308389.db2.gz KMRNQCQOFVRENB-XHSDSOJGSA-N 2 1 366.510 0.775 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204795 1259344371 /nfs/dbraw/zinc/34/43/71/1259344371.db2.gz KEAPWCCWOQVFAB-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204795 1259344376 /nfs/dbraw/zinc/34/43/76/1259344376.db2.gz KEAPWCCWOQVFAB-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP C[NH+]1CCN(c2ncc(-n3nc(-c4ccccc4)nc3CC[NH3+])cn2)CC1 ZINC001168714090 1259389700 /nfs/dbraw/zinc/38/97/00/1259389700.db2.gz PRPBPNAOFNDOFF-UHFFFAOYSA-N 2 1 364.457 0.977 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305620 1259400053 /nfs/dbraw/zinc/40/00/53/1259400053.db2.gz ZXGVFVGSDZZCMN-HRCADAONSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305620 1259400061 /nfs/dbraw/zinc/40/00/61/1259400061.db2.gz ZXGVFVGSDZZCMN-HRCADAONSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305620 1259400064 /nfs/dbraw/zinc/40/00/64/1259400064.db2.gz ZXGVFVGSDZZCMN-HRCADAONSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305620 1259400067 /nfs/dbraw/zinc/40/00/67/1259400067.db2.gz ZXGVFVGSDZZCMN-HRCADAONSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001200547506 1259415812 /nfs/dbraw/zinc/41/58/12/1259415812.db2.gz OBCQORDENITGIL-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538027 1259415912 /nfs/dbraw/zinc/41/59/12/1259415912.db2.gz VVAPRSMAPJOMSO-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200554092 1259416794 /nfs/dbraw/zinc/41/67/94/1259416794.db2.gz FKHDKHRBLGEJBG-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001331668674 1266262098 /nfs/dbraw/zinc/26/20/98/1266262098.db2.gz NDYNZNCVERJHLZ-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403235 1259489372 /nfs/dbraw/zinc/48/93/72/1259489372.db2.gz GKASRLIDFZXFLK-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403235 1259489380 /nfs/dbraw/zinc/48/93/80/1259489380.db2.gz GKASRLIDFZXFLK-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403235 1259489383 /nfs/dbraw/zinc/48/93/83/1259489383.db2.gz GKASRLIDFZXFLK-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408461 1259494291 /nfs/dbraw/zinc/49/42/91/1259494291.db2.gz RKBWEECETJTDHK-GVDBMIGSSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495596 1259525689 /nfs/dbraw/zinc/52/56/89/1259525689.db2.gz KRHCVTFFWHPDOD-CGTJXYLNSA-N 2 1 364.490 0.884 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216226252 1259537145 /nfs/dbraw/zinc/53/71/45/1259537145.db2.gz PEUPEHNXNSNLJW-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ncc(F)cn3)CC2)C1=O ZINC001235003837 1259565698 /nfs/dbraw/zinc/56/56/98/1259565698.db2.gz OKMUVBZGHJIQRZ-UHFFFAOYSA-N 2 1 364.469 0.286 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ncc(F)cn3)CC2)C1=O ZINC001235003837 1259565702 /nfs/dbraw/zinc/56/57/02/1259565702.db2.gz OKMUVBZGHJIQRZ-UHFFFAOYSA-N 2 1 364.469 0.286 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@H+](CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235653791 1259580587 /nfs/dbraw/zinc/58/05/87/1259580587.db2.gz SRPZUITUDHFJPJ-QGZVFWFLSA-N 3 1 363.506 0.736 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCCN(CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235653791 1259580597 /nfs/dbraw/zinc/58/05/97/1259580597.db2.gz SRPZUITUDHFJPJ-QGZVFWFLSA-N 2 1 363.506 0.736 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001335278007 1259583926 /nfs/dbraw/zinc/58/39/26/1259583926.db2.gz OXDTYXOCLRVGPI-UHFFFAOYSA-N 2 1 354.495 0.191 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)cn2)CC1 ZINC001235921568 1259585429 /nfs/dbraw/zinc/58/54/29/1259585429.db2.gz QQRHNKJHWANLIU-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(-c3ccnc(N4CC[NH2+]CC4)n3)cc2)CC1 ZINC001236556649 1259590803 /nfs/dbraw/zinc/59/08/03/1259590803.db2.gz YFFZQBJLSXHVJI-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH2+]CCC23CCOCC3)n1C ZINC001335335217 1259611217 /nfs/dbraw/zinc/61/12/17/1259611217.db2.gz CDUJTAMNRFZMKH-UHFFFAOYSA-N 2 1 350.467 0.540 20 0 FCADMP c1nn(CC[NH+]2CCOCC2)cc1-c1cnc(O[C@H]2CCC[NH2+]C2)nc1 ZINC001240542259 1259628925 /nfs/dbraw/zinc/62/89/25/1259628925.db2.gz GJTMVLHGSGSPFX-KRWDZBQOSA-N 2 1 358.446 0.803 20 0 FCADMP O=C(c1ccc(-c2cnn(CC[NH+]3CCOCC3)c2)cc1)N1CC[NH2+]CC1 ZINC001240545322 1259629383 /nfs/dbraw/zinc/62/93/83/1259629383.db2.gz AYJSMIKDKWCDAO-UHFFFAOYSA-N 2 1 369.469 0.928 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246025983 1259642843 /nfs/dbraw/zinc/64/28/43/1259642843.db2.gz CSIHTQYKMATFRR-SFHVURJKSA-N 2 1 363.502 0.643 20 0 FCADMP COCCc1ccc(OC[C@H](O)CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246022364 1259643188 /nfs/dbraw/zinc/64/31/88/1259643188.db2.gz JLVOLOWBZYXWKS-HOJAQTOUSA-N 2 1 363.502 0.641 20 0 FCADMP [NH3+]CCC[C@H](NC[C@@H](O)C[NH+]1CCOCC1)C(=O)OCc1ccccc1 ZINC001246005205 1259643508 /nfs/dbraw/zinc/64/35/08/1259643508.db2.gz DSGQHYNMSSVQSL-MSOLQXFVSA-N 2 1 365.474 0.120 20 0 FCADMP [NH3+]CCC[NH2+]CCC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011257 1259644066 /nfs/dbraw/zinc/64/40/66/1259644066.db2.gz UEULPRNQBYLMEZ-SJORKVTESA-N 3 1 368.432 0.425 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246033311 1259645315 /nfs/dbraw/zinc/64/53/15/1259645315.db2.gz IJYDHFBEHKCXQP-LQDZTQBFSA-N 3 1 367.440 0.648 20 0 FCADMP COC(=O)[C@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246234257 1259651442 /nfs/dbraw/zinc/65/14/42/1259651442.db2.gz UWHRZGWEPCUFDV-XLIONFOSSA-N 2 1 358.486 0.488 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246638713 1259656616 /nfs/dbraw/zinc/65/66/16/1259656616.db2.gz CIMISWKZJOCLDO-SFHVURJKSA-N 2 1 367.490 0.679 20 0 FCADMP O=C(CN1CCC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1)OCc1ccccc1 ZINC001246635269 1259657856 /nfs/dbraw/zinc/65/78/56/1259657856.db2.gz JVSHIFZBKYVYER-OAQYLSRUSA-N 2 1 372.513 0.832 20 0 FCADMP CCOC(=O)[C@@]12CN([C@@H]3C[NH2+][C@@](CC)(C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246609873 1259658291 /nfs/dbraw/zinc/65/82/91/1259658291.db2.gz OZFSRJOICHYMMV-STEAMIEHSA-N 2 1 367.490 0.535 20 0 FCADMP CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690753 1259659359 /nfs/dbraw/zinc/65/93/59/1259659359.db2.gz WULBKDFDRFATRZ-RXVVDRJESA-N 2 1 369.513 0.504 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246683817 1259659383 /nfs/dbraw/zinc/65/93/83/1259659383.db2.gz UIDREGDSGFFGJP-RCJHGTSTSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CN1 ZINC001246677116 1259660431 /nfs/dbraw/zinc/66/04/31/1259660431.db2.gz BTHBOVAZEFPKMT-RCJHGTSTSA-N 2 1 367.490 0.535 20 0 FCADMP Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246699737 1259661242 /nfs/dbraw/zinc/66/12/42/1259661242.db2.gz DYWUFHZICNDBAK-YFHUEUNASA-N 2 1 373.501 0.081 20 0 FCADMP c1cncc(OCc2nnn3c2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246696471 1259662571 /nfs/dbraw/zinc/66/25/71/1259662571.db2.gz RNPAWSOECJYHHI-HNNXBMFYSA-N 2 1 369.473 0.552 20 0 FCADMP c1cncc(OCc2nnn3c2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246696471 1259662580 /nfs/dbraw/zinc/66/25/80/1259662580.db2.gz RNPAWSOECJYHHI-HNNXBMFYSA-N 2 1 369.473 0.552 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCC1 ZINC001246710681 1259665884 /nfs/dbraw/zinc/66/58/84/1259665884.db2.gz PJDCJBVIHFTJOO-TVFCKZIOSA-N 2 1 362.518 0.287 20 0 FCADMP Cc1ccc(N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nn1 ZINC001246723604 1259667588 /nfs/dbraw/zinc/66/75/88/1259667588.db2.gz KQNFHYDPSLRIDN-KZNAEPCWSA-N 2 1 372.517 0.406 20 0 FCADMP O=C(NCc1ccco1)[C@@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736481 1259673684 /nfs/dbraw/zinc/67/36/84/1259673684.db2.gz ZLWAQPLKZHDANE-CYGHRXIMSA-N 2 1 374.485 0.184 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733008 1259673741 /nfs/dbraw/zinc/67/37/41/1259673741.db2.gz CPGWSPWJAUNENH-YIOZNXECSA-N 2 1 358.490 0.634 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744827 1259677124 /nfs/dbraw/zinc/67/71/24/1259677124.db2.gz LTVVCOONFRCBAF-WOCWXWTJSA-N 2 1 372.517 0.976 20 0 FCADMP O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756626 1259682454 /nfs/dbraw/zinc/68/24/54/1259682454.db2.gz VUQAABTVRSXUED-LNLFQRSKSA-N 2 1 355.486 0.504 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851434 1259690121 /nfs/dbraw/zinc/69/01/21/1259690121.db2.gz GBYXZTUWRXVYGR-TYILLQQXSA-N 2 1 374.489 0.416 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246866710 1259693135 /nfs/dbraw/zinc/69/31/35/1259693135.db2.gz GNQKKHLYIKGAJG-VBHSOAQHSA-N 2 1 360.462 0.026 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246866710 1259693147 /nfs/dbraw/zinc/69/31/47/1259693147.db2.gz GNQKKHLYIKGAJG-VBHSOAQHSA-N 2 1 360.462 0.026 20 0 FCADMP COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920233 1259696056 /nfs/dbraw/zinc/69/60/56/1259696056.db2.gz DHOPMUSNGHSISE-MOPGFXCFSA-N 2 1 372.513 0.830 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4CC[NH2+]C[C@@H]4O)n3)c2)CC1 ZINC001247760969 1259704551 /nfs/dbraw/zinc/70/45/51/1259704551.db2.gz YGCIFFUBORYPCT-IRXDYDNUSA-N 2 1 357.458 0.922 20 0 FCADMP c1cc(-c2noc([C@]34C[NH2+]C[C@@H]3CCN4)n2)ccc1C[NH+]1CCOCC1 ZINC001247838117 1259707336 /nfs/dbraw/zinc/70/73/36/1259707336.db2.gz SEOKFRIZCXITRV-LPHOPBHVSA-N 2 1 355.442 0.977 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335570598 1259721626 /nfs/dbraw/zinc/72/16/26/1259721626.db2.gz PNNJVBBOQLJHSW-UHFFFAOYSA-N 2 1 366.506 0.699 20 0 FCADMP O[C@H](CN1CCOCC1)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001251014280 1259728183 /nfs/dbraw/zinc/72/81/83/1259728183.db2.gz NXSHJIDORVUYDE-SFHVURJKSA-N 2 1 363.506 0.030 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001251760047 1259758293 /nfs/dbraw/zinc/75/82/93/1259758293.db2.gz VZVPWCBBUSIHGW-KRWDZBQOSA-N 2 1 366.506 0.748 20 0 FCADMP O=c1[nH]c(=O)c2c([nH]1)CCN(C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252930517 1259813729 /nfs/dbraw/zinc/81/37/29/1259813729.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 1 356.426 0.883 20 0 FCADMP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](C[C@@]1(O)CCN(Cc3ccccc3)C1)C2 ZINC001252930517 1259813735 /nfs/dbraw/zinc/81/37/35/1259813735.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 1 356.426 0.883 20 0 FCADMP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](C[C@@]1(O)CCN(Cc3ccccc3)C1)C2 ZINC001252930517 1259813740 /nfs/dbraw/zinc/81/37/40/1259813740.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 1 356.426 0.883 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001253185294 1259827266 /nfs/dbraw/zinc/82/72/66/1259827266.db2.gz FBNQHUUABORCKR-MKXGPGLRSA-N 2 1 367.534 0.800 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CCC2(CC1)C(=O)N(CC(C)C)CC[N@H+]2C ZINC001253184832 1259827608 /nfs/dbraw/zinc/82/76/08/1259827608.db2.gz LJPLNGCKHBCNTD-SFHVURJKSA-N 2 1 368.566 0.954 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CCC2(CC1)C(=O)N(CC(C)C)CC[N@@H+]2C ZINC001253184832 1259827615 /nfs/dbraw/zinc/82/76/15/1259827615.db2.gz LJPLNGCKHBCNTD-SFHVURJKSA-N 2 1 368.566 0.954 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001253212302 1259830994 /nfs/dbraw/zinc/83/09/94/1259830994.db2.gz IBSZSDJBLLGPNQ-HNNXBMFYSA-N 2 1 372.510 0.358 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254505745 1259887268 /nfs/dbraw/zinc/88/72/68/1259887268.db2.gz IFYMPCCTILXKFG-WMLDXEAASA-N 2 1 365.474 0.927 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254505745 1259887279 /nfs/dbraw/zinc/88/72/79/1259887279.db2.gz IFYMPCCTILXKFG-WMLDXEAASA-N 2 1 365.474 0.927 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC001331833405 1266293181 /nfs/dbraw/zinc/29/31/81/1266293181.db2.gz HKGMNLMBEBYHCG-FGTMMUONSA-N 2 1 356.470 0.636 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC[C@@H]2C1 ZINC001254948113 1259901375 /nfs/dbraw/zinc/90/13/75/1259901375.db2.gz JTMSCFFFTQNLIC-QLCXLMDBSA-N 2 1 363.502 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC[C@@H]2C1 ZINC001254948113 1259901381 /nfs/dbraw/zinc/90/13/81/1259901381.db2.gz JTMSCFFFTQNLIC-QLCXLMDBSA-N 2 1 363.502 0.855 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999317 1259937309 /nfs/dbraw/zinc/93/73/09/1259937309.db2.gz DSDZZGWEGDTRAE-ZWKOTPCHSA-N 2 1 357.495 0.795 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999317 1259937314 /nfs/dbraw/zinc/93/73/14/1259937314.db2.gz DSDZZGWEGDTRAE-ZWKOTPCHSA-N 2 1 357.495 0.795 20 0 FCADMP O=C(CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC001336036558 1259954193 /nfs/dbraw/zinc/95/41/93/1259954193.db2.gz NPMJDACRSJWKDO-OAQYLSRUSA-N 2 1 374.529 0.815 20 0 FCADMP O=C(CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC001336036556 1259954264 /nfs/dbraw/zinc/95/42/64/1259954264.db2.gz NPMJDACRSJWKDO-NRFANRHFSA-N 2 1 374.529 0.815 20 0 FCADMP Cc1cccc(NCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]1 ZINC001336133921 1260002074 /nfs/dbraw/zinc/00/20/74/1260002074.db2.gz PLVRBGJRHSAJPY-ZDUSSCGKSA-N 2 1 374.411 0.937 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258373394 1260047323 /nfs/dbraw/zinc/04/73/23/1260047323.db2.gz HNUGBILHKQRGAM-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001258373395 1260047736 /nfs/dbraw/zinc/04/77/36/1260047736.db2.gz HNUGBILHKQRGAM-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273839 1260063657 /nfs/dbraw/zinc/06/36/57/1260063657.db2.gz VFPKWXWNOBKXEE-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261524294 1260154267 /nfs/dbraw/zinc/15/42/67/1260154267.db2.gz VOWFRZKXUQSABS-XHSDSOJGSA-N 2 1 363.462 0.053 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)CNC(N)=O)CC2)CC1 ZINC001336731074 1260211010 /nfs/dbraw/zinc/21/10/10/1260211010.db2.gz RIJXIEZHTMAZDC-UHFFFAOYSA-N 2 1 353.511 0.746 20 0 FCADMP CS(=O)(=O)Nc1ccc(OCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC001336802069 1260226954 /nfs/dbraw/zinc/22/69/54/1260226954.db2.gz ARYAHBMDSAIMFW-OAHLLOKOSA-N 2 1 357.476 0.483 20 0 FCADMP COCc1ncc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827013 1260231392 /nfs/dbraw/zinc/23/13/92/1260231392.db2.gz PIWYNGVWPPEALF-IBGZPJMESA-N 2 1 357.458 0.932 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071239 1260256186 /nfs/dbraw/zinc/25/61/86/1260256186.db2.gz UTVUDXOFAQTPLU-BGTYHANMSA-N 2 1 358.486 0.724 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)cc2)CC1 ZINC001337048086 1260295183 /nfs/dbraw/zinc/29/51/83/1260295183.db2.gz PMNYMONJFMWLLA-SFHVURJKSA-N 2 1 373.501 0.976 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)cc2)CC1 ZINC001337048086 1260295187 /nfs/dbraw/zinc/29/51/87/1260295187.db2.gz PMNYMONJFMWLLA-SFHVURJKSA-N 2 1 373.501 0.976 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574004 1260329451 /nfs/dbraw/zinc/32/94/51/1260329451.db2.gz ILPZQXVWIYQASK-WMLDXEAASA-N 2 1 371.428 0.767 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756769 1260355250 /nfs/dbraw/zinc/35/52/50/1260355250.db2.gz YTCPPKOSYGUIMS-POAQFYNOSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001263756769 1260355259 /nfs/dbraw/zinc/35/52/59/1260355259.db2.gz YTCPPKOSYGUIMS-POAQFYNOSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001263756769 1260355266 /nfs/dbraw/zinc/35/52/66/1260355266.db2.gz YTCPPKOSYGUIMS-POAQFYNOSA-N 2 1 358.486 0.128 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264651942 1260393473 /nfs/dbraw/zinc/39/34/73/1260393473.db2.gz NDPBXIIBCNGOTD-FGTMMUONSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001337487340 1260413761 /nfs/dbraw/zinc/41/37/61/1260413761.db2.gz ZJAYMKUPAFQXHC-RYQLBKOJSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001337498479 1260417075 /nfs/dbraw/zinc/41/70/75/1260417075.db2.gz HSPQRUADRXYANO-RYQLBKOJSA-N 2 1 358.486 0.820 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC001332092208 1266333860 /nfs/dbraw/zinc/33/38/60/1266333860.db2.gz BOBWPDPLBFETNM-HNNXBMFYSA-N 2 1 362.430 0.213 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272744464 1260496647 /nfs/dbraw/zinc/49/66/47/1260496647.db2.gz GHNHYWSHXOWPFD-SJORKVTESA-N 2 1 360.502 0.626 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272825132 1260512226 /nfs/dbraw/zinc/51/22/26/1260512226.db2.gz NJYVFVZUWTWRJU-IRXDYDNUSA-N 2 1 360.502 0.626 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273272594 1260645480 /nfs/dbraw/zinc/64/54/80/1260645480.db2.gz KWAFRPLUYMBNBM-IAGOWNOFSA-N 2 1 364.534 0.977 20 0 FCADMP COC(=O)Cc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278624228 1260714795 /nfs/dbraw/zinc/71/47/95/1260714795.db2.gz XPIZLEKUXKQDRX-MOPGFXCFSA-N 2 1 361.486 0.849 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)n1 ZINC001279254347 1260812672 /nfs/dbraw/zinc/81/26/72/1260812672.db2.gz QAIBHKKFJYESIH-GJZGRUSLSA-N 2 1 358.442 0.510 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)n1 ZINC001279254347 1260812676 /nfs/dbraw/zinc/81/26/76/1260812676.db2.gz QAIBHKKFJYESIH-GJZGRUSLSA-N 2 1 358.442 0.510 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279256808 1260813757 /nfs/dbraw/zinc/81/37/57/1260813757.db2.gz JPBPGRGLNUWIHD-CCKFTAQKSA-N 2 1 360.502 0.816 20 0 FCADMP Cc1c(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)cnn1C ZINC001279352380 1260847344 /nfs/dbraw/zinc/84/73/44/1260847344.db2.gz YAQTUVYWNRJGAK-IBGZPJMESA-N 2 1 362.522 0.447 20 0 FCADMP C[NH+](C)CCN1CCN(C[C@@H]2CCC[N@@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501458 1260881481 /nfs/dbraw/zinc/88/14/81/1260881481.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 2 1 365.566 0.546 20 0 FCADMP Cn1ncnc1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001279621580 1260903009 /nfs/dbraw/zinc/90/30/09/1260903009.db2.gz XQWWPOOMZAGBIV-IYBDPMFKSA-N 2 1 362.478 0.072 20 0 FCADMP Cn1ncnc1C(=O)N1C[C@@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001279621580 1260903014 /nfs/dbraw/zinc/90/30/14/1260903014.db2.gz XQWWPOOMZAGBIV-IYBDPMFKSA-N 2 1 362.478 0.072 20 0 FCADMP COCC[N@H+]1C[C@H]2C[C@H](CC(=O)Nc3cnn(CC[NH+](C)C)c3)O[C@H]2C1 ZINC001279720657 1260921645 /nfs/dbraw/zinc/92/16/45/1260921645.db2.gz FVCQPGODJNLVBF-OIISXLGYSA-N 2 1 365.478 0.509 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C[C@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892309 1260953001 /nfs/dbraw/zinc/95/30/01/1260953001.db2.gz FUDUBUKMJDIFPR-QAPCUYQASA-N 2 1 361.490 0.877 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4nccc(NCC5CC5)n4)CC3)[C@H]2C1 ZINC001280117693 1261008075 /nfs/dbraw/zinc/00/80/75/1261008075.db2.gz LAYUFQDBUZORAK-GJZGRUSLSA-N 2 1 356.474 0.945 20 0 FCADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(NCC5CC5)cc[nH+]4)CC3)[C@H]2C1 ZINC001280117693 1261008079 /nfs/dbraw/zinc/00/80/79/1261008079.db2.gz LAYUFQDBUZORAK-GJZGRUSLSA-N 2 1 356.474 0.945 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(NCC5CC5)cc[nH+]4)CC3)[C@H]2C1 ZINC001280117693 1261008085 /nfs/dbraw/zinc/00/80/85/1261008085.db2.gz LAYUFQDBUZORAK-GJZGRUSLSA-N 2 1 356.474 0.945 20 0 FCADMP O=C(c1cc2c([nH]1)C[N@@H+](CC1CC[NH2+]CC1)CC2)N1CC2(CC(O)C2)C1 ZINC001280135616 1261013232 /nfs/dbraw/zinc/01/32/32/1261013232.db2.gz PGANQOKZRIWNMR-UHFFFAOYSA-N 2 1 358.486 0.969 20 0 FCADMP C[C@H]1c2ncc(CC(=O)Nc3nnco3)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001280136008 1261013619 /nfs/dbraw/zinc/01/36/19/1261013619.db2.gz ABAIBRVZZPLARU-LBPRGKRZSA-N 2 1 359.434 0.824 20 0 FCADMP C[C@H]1c2ncc(CC(=O)Nc3nnco3)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001280136008 1261013622 /nfs/dbraw/zinc/01/36/22/1261013622.db2.gz ABAIBRVZZPLARU-LBPRGKRZSA-N 2 1 359.434 0.824 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201379 1261030731 /nfs/dbraw/zinc/03/07/31/1261030731.db2.gz PTFSCXONTHIBQC-QRFRQXIXSA-N 2 1 365.518 0.793 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@]23c2ccccc2NC3=O)CC1 ZINC001280241478 1261041329 /nfs/dbraw/zinc/04/13/29/1261041329.db2.gz HZRDACOFBFLTDN-OXJNMPFZSA-N 2 1 356.470 0.991 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001280259451 1261042849 /nfs/dbraw/zinc/04/28/49/1261042849.db2.gz OQHZNTDUCMQJEM-DFBDCSAJSA-N 2 1 360.506 0.740 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259448 1261043440 /nfs/dbraw/zinc/04/34/40/1261043440.db2.gz ONGARQPFRRNBLN-MVJTYMMSSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259448 1261043441 /nfs/dbraw/zinc/04/34/41/1261043441.db2.gz ONGARQPFRRNBLN-MVJTYMMSSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259448 1261043444 /nfs/dbraw/zinc/04/34/44/1261043444.db2.gz ONGARQPFRRNBLN-MVJTYMMSSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001280259529 1261043805 /nfs/dbraw/zinc/04/38/05/1261043805.db2.gz PYAQGOISUWMNNS-CQSZACIVSA-N 2 1 360.506 0.891 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001332519673 1266422100 /nfs/dbraw/zinc/42/21/00/1266422100.db2.gz HRNPWUFUFTZBQQ-DLBZAZTESA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001332519673 1266422106 /nfs/dbraw/zinc/42/21/06/1266422106.db2.gz HRNPWUFUFTZBQQ-DLBZAZTESA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001332519673 1266422110 /nfs/dbraw/zinc/42/21/10/1266422110.db2.gz HRNPWUFUFTZBQQ-DLBZAZTESA-N 2 1 362.526 0.374 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120511 1261637548 /nfs/dbraw/zinc/63/75/48/1261637548.db2.gz RZLXVAIQVRJNAX-GOSISDBHSA-N 2 1 359.470 0.868 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120511 1261637554 /nfs/dbraw/zinc/63/75/54/1261637554.db2.gz RZLXVAIQVRJNAX-GOSISDBHSA-N 2 1 359.470 0.868 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])c2)CC1 ZINC001345140867 1261640597 /nfs/dbraw/zinc/64/05/97/1261640597.db2.gz ILYKUHOMMMTWSV-IBGZPJMESA-N 2 1 374.533 0.218 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001284753797 1261785933 /nfs/dbraw/zinc/78/59/33/1261785933.db2.gz ZJXVYAPSHFZSDS-FVQBIDKESA-N 2 1 359.474 0.583 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001580331078 1278130659 /nfs/dbraw/zinc/13/06/59/1278130659.db2.gz ANPRFBHXEWPXGO-BRWVUGGUSA-N 2 1 359.536 0.878 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1c1ccccc1)[NH+](C)C ZINC001316644591 1263393760 /nfs/dbraw/zinc/39/37/60/1263393760.db2.gz SHACNWKJXAWGTA-HCXYKTFWSA-N 2 1 363.502 0.918 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001482597232 1263443047 /nfs/dbraw/zinc/44/30/47/1263443047.db2.gz STLZJXFOUVWKRT-QLFBSQMISA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001482597232 1263443052 /nfs/dbraw/zinc/44/30/52/1263443052.db2.gz STLZJXFOUVWKRT-QLFBSQMISA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482597232 1263443060 /nfs/dbraw/zinc/44/30/60/1263443060.db2.gz STLZJXFOUVWKRT-QLFBSQMISA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482597232 1263443068 /nfs/dbraw/zinc/44/30/68/1263443068.db2.gz STLZJXFOUVWKRT-QLFBSQMISA-N 2 1 369.510 0.340 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001484742877 1263484756 /nfs/dbraw/zinc/48/47/56/1263484756.db2.gz QWUNKAZNRBMRDF-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC001484742877 1263484761 /nfs/dbraw/zinc/48/47/61/1263484761.db2.gz QWUNKAZNRBMRDF-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC001484742877 1263484762 /nfs/dbraw/zinc/48/47/62/1263484762.db2.gz QWUNKAZNRBMRDF-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC001318843683 1263615551 /nfs/dbraw/zinc/61/55/51/1263615551.db2.gz ZKULQOTXKGGXOH-UHFFFAOYSA-N 2 1 361.446 0.336 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001493305207 1263716685 /nfs/dbraw/zinc/71/66/85/1263716685.db2.gz VSFRVXAAGJYZPF-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cc1 ZINC001320600908 1263824959 /nfs/dbraw/zinc/82/49/59/1263824959.db2.gz NCMKPPLDEIGHBR-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)cn1 ZINC001321396391 1263951167 /nfs/dbraw/zinc/95/11/67/1263951167.db2.gz WABJYRCAPDOPOV-UHFFFAOYSA-N 2 1 356.430 0.402 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499986313 1264052883 /nfs/dbraw/zinc/05/28/83/1264052883.db2.gz JIFHNEYOHVOIOP-ZIAGYGMSSA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499986313 1264052890 /nfs/dbraw/zinc/05/28/90/1264052890.db2.gz JIFHNEYOHVOIOP-ZIAGYGMSSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001501952576 1264156971 /nfs/dbraw/zinc/15/69/71/1264156971.db2.gz RZKXPYWZNVKPRL-RBSFLKMASA-N 2 1 357.520 0.390 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC001322810994 1264272962 /nfs/dbraw/zinc/27/29/62/1264272962.db2.gz HTOFXMWAQRJFER-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](O)Cn2cccn2)CC[N@H+]1C ZINC001505812884 1264280715 /nfs/dbraw/zinc/28/07/15/1264280715.db2.gz FGMQKSJMEIAZMK-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC001322960222 1264302692 /nfs/dbraw/zinc/30/26/92/1264302692.db2.gz ZBFGZUSHWWHVPF-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC001322960222 1264302701 /nfs/dbraw/zinc/30/27/01/1264302701.db2.gz ZBFGZUSHWWHVPF-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001323389747 1264418398 /nfs/dbraw/zinc/41/83/98/1264418398.db2.gz XSRSQDQPEVWPFK-HYVNUMGLSA-N 2 1 366.506 0.345 20 0 FCADMP CNC(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC001323922950 1264541638 /nfs/dbraw/zinc/54/16/38/1264541638.db2.gz QVKPBXGZZFMIOJ-HNNXBMFYSA-N 2 1 359.474 0.682 20 0 FCADMP CNC(=O)c1cccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC001323922950 1264541644 /nfs/dbraw/zinc/54/16/44/1264541644.db2.gz QVKPBXGZZFMIOJ-HNNXBMFYSA-N 2 1 359.474 0.682 20 0 FCADMP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCn1cc[nH+]c1C ZINC001511615667 1264566515 /nfs/dbraw/zinc/56/65/15/1264566515.db2.gz OHHMRAMLYWVEHE-KRWDZBQOSA-N 2 1 359.478 0.950 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001325366146 1264861130 /nfs/dbraw/zinc/86/11/30/1264861130.db2.gz JKKPISUFBITDLN-UHFFFAOYSA-N 2 1 373.501 0.644 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580404143 1278237796 /nfs/dbraw/zinc/23/77/96/1278237796.db2.gz UBJMBUKJCYRILP-ABAIWWIYSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580406135 1278239447 /nfs/dbraw/zinc/23/94/47/1278239447.db2.gz XLBJDTQAAFWBFH-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC[NH+]1CCOCC1 ZINC001580406657 1278244623 /nfs/dbraw/zinc/24/46/23/1278244623.db2.gz RZDJQCDOZWDOJA-CQSZACIVSA-N 2 1 373.461 0.183 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001513419499 1265111504 /nfs/dbraw/zinc/11/15/04/1265111504.db2.gz KLGVNSGFCJBUFQ-HZPDHXFCSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001326926520 1265200206 /nfs/dbraw/zinc/20/02/06/1265200206.db2.gz DPYAZFUNAZHKMS-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC001513580820 1265228123 /nfs/dbraw/zinc/22/81/23/1265228123.db2.gz YUMBOGNYJLWSNY-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001333574268 1266635540 /nfs/dbraw/zinc/63/55/40/1266635540.db2.gz HHTOVWBJKKRTBL-HZPDHXFCSA-N 2 1 351.495 0.513 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001333821807 1266729629 /nfs/dbraw/zinc/72/96/29/1266729629.db2.gz YOZDTPZYKWHQTA-CYBMUJFWSA-N 2 1 358.446 0.721 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001528095402 1266943873 /nfs/dbraw/zinc/94/38/73/1266943873.db2.gz VWLIGWRKOBBSLT-MNEFBYGVSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001528095402 1266943881 /nfs/dbraw/zinc/94/38/81/1266943881.db2.gz VWLIGWRKOBBSLT-MNEFBYGVSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001528095402 1266943890 /nfs/dbraw/zinc/94/38/90/1266943890.db2.gz VWLIGWRKOBBSLT-MNEFBYGVSA-N 2 1 358.486 0.258 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001529213012 1267044613 /nfs/dbraw/zinc/04/46/13/1267044613.db2.gz UDSWKIIUPMCPQP-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001529213012 1267044623 /nfs/dbraw/zinc/04/46/23/1267044623.db2.gz UDSWKIIUPMCPQP-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001529321374 1267051498 /nfs/dbraw/zinc/05/14/98/1267051498.db2.gz CNEKZAJOBGUTHZ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001529321374 1267051502 /nfs/dbraw/zinc/05/15/02/1267051502.db2.gz CNEKZAJOBGUTHZ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001529321374 1267051513 /nfs/dbraw/zinc/05/15/13/1267051513.db2.gz CNEKZAJOBGUTHZ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001530784531 1267113974 /nfs/dbraw/zinc/11/39/74/1267113974.db2.gz RKWCASXPOKONRZ-FVQBIDKESA-N 2 1 356.486 0.581 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356223 1267494862 /nfs/dbraw/zinc/49/48/62/1267494862.db2.gz GDBNGQLFDPXURX-IGKNDFSCSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356223 1267494864 /nfs/dbraw/zinc/49/48/64/1267494864.db2.gz GDBNGQLFDPXURX-IGKNDFSCSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356223 1267494865 /nfs/dbraw/zinc/49/48/65/1267494865.db2.gz GDBNGQLFDPXURX-IGKNDFSCSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356223 1267494867 /nfs/dbraw/zinc/49/48/67/1267494867.db2.gz GDBNGQLFDPXURX-IGKNDFSCSA-N 2 1 353.507 0.932 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001542692047 1267503765 /nfs/dbraw/zinc/50/37/65/1267503765.db2.gz UDDNFYMMLIKQTG-QZTJIDSGSA-N 3 1 354.539 0.829 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CN1CCOCC1 ZINC001542692047 1267503771 /nfs/dbraw/zinc/50/37/71/1267503771.db2.gz UDDNFYMMLIKQTG-QZTJIDSGSA-N 2 1 354.539 0.829 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CN1CCOCC1 ZINC001542692047 1267503780 /nfs/dbraw/zinc/50/37/80/1267503780.db2.gz UDDNFYMMLIKQTG-QZTJIDSGSA-N 2 1 354.539 0.829 20 0 FCADMP CC(C)n1cc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001548421909 1267701431 /nfs/dbraw/zinc/70/14/31/1267701431.db2.gz ATSJLLCFHOTGRF-MSOLQXFVSA-N 2 1 363.506 0.636 20 0 FCADMP CC(C)n1cc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001548421909 1267701437 /nfs/dbraw/zinc/70/14/37/1267701437.db2.gz ATSJLLCFHOTGRF-MSOLQXFVSA-N 2 1 363.506 0.636 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549117822 1267812477 /nfs/dbraw/zinc/81/24/77/1267812477.db2.gz VBSQWCIFLBQIIV-MDZRGWNJSA-N 2 1 358.490 0.575 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC001549113744 1267813030 /nfs/dbraw/zinc/81/30/30/1267813030.db2.gz UOBZFGJHLCPYSC-BEFAXECRSA-N 2 1 360.458 0.625 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC001549113744 1267813045 /nfs/dbraw/zinc/81/30/45/1267813045.db2.gz UOBZFGJHLCPYSC-BEFAXECRSA-N 2 1 360.458 0.625 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC001549215101 1267858482 /nfs/dbraw/zinc/85/84/82/1267858482.db2.gz UTLRTDWPUCGORY-YHUYYLMFSA-N 2 1 352.479 0.387 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH2+]CC1 ZINC001549300450 1267896389 /nfs/dbraw/zinc/89/63/89/1267896389.db2.gz KNVSOZUKICBNQY-CVEARBPZSA-N 2 1 350.507 0.430 20 0 FCADMP O=C(N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001549367306 1267911493 /nfs/dbraw/zinc/91/14/93/1267911493.db2.gz YXHMQWRYNAODQG-IKGGRYGDSA-N 2 1 366.506 0.386 20 0 FCADMP O=C(N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001549367306 1267911498 /nfs/dbraw/zinc/91/14/98/1267911498.db2.gz YXHMQWRYNAODQG-IKGGRYGDSA-N 2 1 366.506 0.386 20 0 FCADMP C[C@@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001549611197 1267971893 /nfs/dbraw/zinc/97/18/93/1267971893.db2.gz DINQEBJYRVFTMZ-ROUUACIJSA-N 2 1 366.506 0.509 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2cnn3c2C[NH2+]CC3)C1 ZINC001549745559 1267986719 /nfs/dbraw/zinc/98/67/19/1267986719.db2.gz JNVZHPVFCQIKLT-HZPDHXFCSA-N 2 1 362.478 0.381 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761424 1267993237 /nfs/dbraw/zinc/99/32/37/1267993237.db2.gz GRTMEIIHWTVLGC-SJORKVTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761424 1267993245 /nfs/dbraw/zinc/99/32/45/1267993245.db2.gz GRTMEIIHWTVLGC-SJORKVTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC001549761424 1267993250 /nfs/dbraw/zinc/99/32/50/1267993250.db2.gz GRTMEIIHWTVLGC-SJORKVTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC001549761424 1267993257 /nfs/dbraw/zinc/99/32/57/1267993257.db2.gz GRTMEIIHWTVLGC-SJORKVTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761421 1267994518 /nfs/dbraw/zinc/99/45/18/1267994518.db2.gz GRTMEIIHWTVLGC-IRXDYDNUSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761421 1267994529 /nfs/dbraw/zinc/99/45/29/1267994529.db2.gz GRTMEIIHWTVLGC-IRXDYDNUSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC001549761421 1267994534 /nfs/dbraw/zinc/99/45/34/1267994534.db2.gz GRTMEIIHWTVLGC-IRXDYDNUSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC001549761421 1267994544 /nfs/dbraw/zinc/99/45/44/1267994544.db2.gz GRTMEIIHWTVLGC-IRXDYDNUSA-N 2 1 361.490 0.733 20 0 FCADMP O=C(NC[C@H]1CCCCC[NH2+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001338625341 1268013193 /nfs/dbraw/zinc/01/31/93/1268013193.db2.gz QIKUHBFEYUHUES-MRXNPFEDSA-N 2 1 354.495 0.699 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCC(C(N)=O)CC3)n2C)C[C@H]1C ZINC001338704156 1268051414 /nfs/dbraw/zinc/05/14/14/1268051414.db2.gz QYANGBIEAVRCCW-KGLIPLIRSA-N 2 1 363.510 0.431 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCCC[NH2+]3)CC2)CC1 ZINC001338767719 1268082488 /nfs/dbraw/zinc/08/24/88/1268082488.db2.gz XYMBWDMQCDKKLC-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)CCC[NH+]1C ZINC001550360537 1268106238 /nfs/dbraw/zinc/10/62/38/1268106238.db2.gz GGJJQFKNIRUMNV-QAPCUYQASA-N 2 1 362.522 0.413 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H](O)C2 ZINC001550485108 1268127956 /nfs/dbraw/zinc/12/79/56/1268127956.db2.gz QWOWSWKRHSYGBU-DFEOGRTESA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H](O)C2 ZINC001550485108 1268127960 /nfs/dbraw/zinc/12/79/60/1268127960.db2.gz QWOWSWKRHSYGBU-DFEOGRTESA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H](O)C2 ZINC001550485108 1268127963 /nfs/dbraw/zinc/12/79/63/1268127963.db2.gz QWOWSWKRHSYGBU-DFEOGRTESA-N 2 1 352.523 0.076 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487324 1268127982 /nfs/dbraw/zinc/12/79/82/1268127982.db2.gz BJZILUITPGRVIK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487324 1268127986 /nfs/dbraw/zinc/12/79/86/1268127986.db2.gz BJZILUITPGRVIK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487324 1268127991 /nfs/dbraw/zinc/12/79/91/1268127991.db2.gz BJZILUITPGRVIK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487324 1268127993 /nfs/dbraw/zinc/12/79/93/1268127993.db2.gz BJZILUITPGRVIK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001550542212 1268130166 /nfs/dbraw/zinc/13/01/66/1268130166.db2.gz NILXCULTLWKFLT-HOTGVXAUSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001550542212 1268130169 /nfs/dbraw/zinc/13/01/69/1268130169.db2.gz NILXCULTLWKFLT-HOTGVXAUSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001550542212 1268130172 /nfs/dbraw/zinc/13/01/72/1268130172.db2.gz NILXCULTLWKFLT-HOTGVXAUSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001550542212 1268130175 /nfs/dbraw/zinc/13/01/75/1268130175.db2.gz NILXCULTLWKFLT-HOTGVXAUSA-N 2 1 374.485 0.976 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001550730312 1268157430 /nfs/dbraw/zinc/15/74/30/1268157430.db2.gz FFXLDGABXBSEPH-DLBZAZTESA-N 2 1 366.506 0.509 20 0 FCADMP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001550739823 1268159055 /nfs/dbraw/zinc/15/90/55/1268159055.db2.gz DFNMCZKXVUNDPF-IXDOHACOSA-N 2 1 366.506 0.650 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@@H](O)C2)C1 ZINC001550749298 1268161763 /nfs/dbraw/zinc/16/17/63/1268161763.db2.gz BUKGEGQUUMJGCQ-MSOLQXFVSA-N 2 1 362.474 0.172 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@@H](O)C2)C1 ZINC001550749298 1268161772 /nfs/dbraw/zinc/16/17/72/1268161772.db2.gz BUKGEGQUUMJGCQ-MSOLQXFVSA-N 2 1 362.474 0.172 20 0 FCADMP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001550979680 1268187853 /nfs/dbraw/zinc/18/78/53/1268187853.db2.gz BVLJUQMZQLMUJW-OIISXLGYSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001550979680 1268187857 /nfs/dbraw/zinc/18/78/57/1268187857.db2.gz BVLJUQMZQLMUJW-OIISXLGYSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001550979680 1268187858 /nfs/dbraw/zinc/18/78/58/1268187858.db2.gz BVLJUQMZQLMUJW-OIISXLGYSA-N 2 1 354.495 0.336 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[NH+](C)C1 ZINC001550980914 1268189841 /nfs/dbraw/zinc/18/98/41/1268189841.db2.gz SKYUHVKHZZRSFE-YESZJQIVSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[N@H+](C)C1 ZINC001550980914 1268189847 /nfs/dbraw/zinc/18/98/47/1268189847.db2.gz SKYUHVKHZZRSFE-YESZJQIVSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[N@@H+](C)C1 ZINC001550980914 1268189850 /nfs/dbraw/zinc/18/98/50/1268189850.db2.gz SKYUHVKHZZRSFE-YESZJQIVSA-N 2 1 354.495 0.600 20 0 FCADMP CNC(=O)[C@@]12C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@H]1COCC2 ZINC001551427907 1268245347 /nfs/dbraw/zinc/24/53/47/1268245347.db2.gz VCTGNEQPTMXVGX-KXBFYZLASA-N 2 1 366.506 0.060 20 0 FCADMP Cc1c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cnn1-c1cc[nH+]cc1 ZINC001339510683 1268256905 /nfs/dbraw/zinc/25/69/05/1268256905.db2.gz YTUAYMAAJHFXIT-UHFFFAOYSA-N 2 1 370.457 0.908 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465630 1268257158 /nfs/dbraw/zinc/25/71/58/1268257158.db2.gz YECOTPVZMMIGKM-IAGOWNOFSA-N 2 1 365.522 0.176 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551471752 1268258135 /nfs/dbraw/zinc/25/81/35/1268258135.db2.gz XCLJELFCLBWNGX-HRCADAONSA-N 2 1 354.495 0.242 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@H]1C ZINC001551546887 1268264406 /nfs/dbraw/zinc/26/44/06/1268264406.db2.gz VWIBUCULNFXMEU-DHMWGJHJSA-N 2 1 364.412 0.625 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C[C@@]2(C)C1 ZINC001551553025 1268265530 /nfs/dbraw/zinc/26/55/30/1268265530.db2.gz GNOMAVOHTKQSDD-IIHSZXCVSA-N 2 1 363.506 0.226 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557264 1268269088 /nfs/dbraw/zinc/26/90/88/1268269088.db2.gz UUHMJVMAYNFRFP-DOTOQJQBSA-N 2 1 365.522 0.759 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560950 1268270973 /nfs/dbraw/zinc/27/09/73/1268270973.db2.gz IRJSCIYHMAFVQE-IEZWGBDMSA-N 2 1 363.506 0.370 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H]1C ZINC001551563813 1268272590 /nfs/dbraw/zinc/27/25/90/1268272590.db2.gz RZEOFCVSEPVVEP-CXHZTBPHSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576790 1268275428 /nfs/dbraw/zinc/27/54/28/1268275428.db2.gz RAUNJMAHTKFGQG-AGYKMIKPSA-N 2 1 357.502 0.982 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576790 1268275436 /nfs/dbraw/zinc/27/54/36/1268275436.db2.gz RAUNJMAHTKFGQG-AGYKMIKPSA-N 2 1 357.502 0.982 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551581407 1268278126 /nfs/dbraw/zinc/27/81/26/1268278126.db2.gz QXTSLMIPQPOKNR-ZMSDIMECSA-N 2 1 351.495 0.369 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585334 1268279496 /nfs/dbraw/zinc/27/94/96/1268279496.db2.gz APKSEBRKBKZBDK-RYRKJORJSA-N 2 1 365.522 0.759 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001339720045 1268310275 /nfs/dbraw/zinc/31/02/75/1268310275.db2.gz AQMZJVOCDPEOSJ-UHFFFAOYSA-N 2 1 360.462 0.751 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)C1 ZINC001552096930 1268372587 /nfs/dbraw/zinc/37/25/87/1268372587.db2.gz XGCZJLYZQQTERS-BSDSXHPESA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)C1 ZINC001552096930 1268372599 /nfs/dbraw/zinc/37/25/99/1268372599.db2.gz XGCZJLYZQQTERS-BSDSXHPESA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1 ZINC001552096930 1268372610 /nfs/dbraw/zinc/37/26/10/1268372610.db2.gz XGCZJLYZQQTERS-BSDSXHPESA-N 2 1 368.522 0.630 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)nn1 ZINC001552167977 1268401136 /nfs/dbraw/zinc/40/11/36/1268401136.db2.gz UYLCQFYUBGCMQL-ZMSDIMECSA-N 2 1 373.461 0.349 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)nn1 ZINC001552179595 1268403843 /nfs/dbraw/zinc/40/38/43/1268403843.db2.gz LPNQPXULWYSVAV-MXASKKJJSA-N 2 1 362.478 0.065 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001340120961 1268442180 /nfs/dbraw/zinc/44/21/80/1268442180.db2.gz MPZRFHXFFFKMMD-BBWFWOEESA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421429 1268460278 /nfs/dbraw/zinc/46/02/78/1268460278.db2.gz FHNAULKGIWHYEX-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001340271029 1268494080 /nfs/dbraw/zinc/49/40/80/1268494080.db2.gz DRJVAAXYXUCHJT-KRWDZBQOSA-N 2 1 363.510 0.706 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552696125 1268523232 /nfs/dbraw/zinc/52/32/32/1268523232.db2.gz GARLMQHCFIQZNM-OAHLLOKOSA-N 2 1 360.506 0.775 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552696125 1268523235 /nfs/dbraw/zinc/52/32/35/1268523235.db2.gz GARLMQHCFIQZNM-OAHLLOKOSA-N 2 1 360.506 0.775 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552700848 1268523332 /nfs/dbraw/zinc/52/33/32/1268523332.db2.gz RUUOPDBACDVVGQ-ZBFHGGJFSA-N 2 1 350.467 0.515 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552696124 1268523772 /nfs/dbraw/zinc/52/37/72/1268523772.db2.gz GARLMQHCFIQZNM-HNNXBMFYSA-N 2 1 360.506 0.775 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552696124 1268523778 /nfs/dbraw/zinc/52/37/78/1268523778.db2.gz GARLMQHCFIQZNM-HNNXBMFYSA-N 2 1 360.506 0.775 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552706432 1268525708 /nfs/dbraw/zinc/52/57/08/1268525708.db2.gz UNGJDNHYMKPMRR-INMHGKMJSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552706432 1268525710 /nfs/dbraw/zinc/52/57/10/1268525710.db2.gz UNGJDNHYMKPMRR-INMHGKMJSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552706432 1268525714 /nfs/dbraw/zinc/52/57/14/1268525714.db2.gz UNGJDNHYMKPMRR-INMHGKMJSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552706432 1268525718 /nfs/dbraw/zinc/52/57/18/1268525718.db2.gz UNGJDNHYMKPMRR-INMHGKMJSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707915 1268527101 /nfs/dbraw/zinc/52/71/01/1268527101.db2.gz ICFZNWCOLJWRMB-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707915 1268527107 /nfs/dbraw/zinc/52/71/07/1268527107.db2.gz ICFZNWCOLJWRMB-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC001552707915 1268527113 /nfs/dbraw/zinc/52/71/13/1268527113.db2.gz ICFZNWCOLJWRMB-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)n1 ZINC001552707915 1268527121 /nfs/dbraw/zinc/52/71/21/1268527121.db2.gz ICFZNWCOLJWRMB-ZACQAIPSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708858 1268528113 /nfs/dbraw/zinc/52/81/13/1268528113.db2.gz KRWJOEVMTRPYKH-PVAVHDDUSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708858 1268528123 /nfs/dbraw/zinc/52/81/23/1268528123.db2.gz KRWJOEVMTRPYKH-PVAVHDDUSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC001552708858 1268528132 /nfs/dbraw/zinc/52/81/32/1268528132.db2.gz KRWJOEVMTRPYKH-PVAVHDDUSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC001552708858 1268528142 /nfs/dbraw/zinc/52/81/42/1268528142.db2.gz KRWJOEVMTRPYKH-PVAVHDDUSA-N 2 1 361.490 0.543 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001552764019 1268540325 /nfs/dbraw/zinc/54/03/25/1268540325.db2.gz PLKHQBXOEFXIFW-YVSFHVDLSA-N 2 1 351.491 0.639 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H]1n1ccnn1 ZINC001552803122 1268551251 /nfs/dbraw/zinc/55/12/51/1268551251.db2.gz AZBUHIDYJINZEB-KZNAEPCWSA-N 2 1 369.473 0.961 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H]1n1ccnn1 ZINC001552803122 1268551255 /nfs/dbraw/zinc/55/12/55/1268551255.db2.gz AZBUHIDYJINZEB-KZNAEPCWSA-N 2 1 369.473 0.961 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)CC2)C1 ZINC001552835050 1268556363 /nfs/dbraw/zinc/55/63/63/1268556363.db2.gz WEANKTMHMQZQRN-HBFSDRIKSA-N 2 1 364.534 0.772 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)CC1 ZINC001552976690 1268571305 /nfs/dbraw/zinc/57/13/05/1268571305.db2.gz ORTHRLIPPIREDG-GOSISDBHSA-N 2 1 351.539 0.107 20 0 FCADMP Cn1cc([C@H]2[C@@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976177 1268572250 /nfs/dbraw/zinc/57/22/50/1268572250.db2.gz OPOVONCGQKJUML-CRAIPNDOSA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@H]2[C@@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@@H+]2C)cn1 ZINC001552976177 1268572253 /nfs/dbraw/zinc/57/22/53/1268572253.db2.gz OPOVONCGQKJUML-CRAIPNDOSA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@H]2[C@@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@H+]2C)cn1 ZINC001552976177 1268572258 /nfs/dbraw/zinc/57/22/58/1268572258.db2.gz OPOVONCGQKJUML-CRAIPNDOSA-N 2 1 362.522 0.413 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC001553032870 1268581709 /nfs/dbraw/zinc/58/17/09/1268581709.db2.gz PKOZLBYAERJNFC-INIZCTEOSA-N 2 1 358.446 0.378 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)c1 ZINC001553032870 1268581713 /nfs/dbraw/zinc/58/17/13/1268581713.db2.gz PKOZLBYAERJNFC-INIZCTEOSA-N 2 1 358.446 0.378 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001340636607 1268610800 /nfs/dbraw/zinc/61/08/00/1268610800.db2.gz PIPHXTINNXYRPS-HNNXBMFYSA-N 2 1 367.412 0.604 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)c2)CC1 ZINC001553404075 1268645195 /nfs/dbraw/zinc/64/51/95/1268645195.db2.gz ADCYOBIIYWCPGQ-OKZBNKHCSA-N 2 1 372.469 0.461 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001553404896 1268645289 /nfs/dbraw/zinc/64/52/89/1268645289.db2.gz BPMWWIQYSBKCJB-GBBGEASQSA-N 2 1 359.470 0.912 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001553404896 1268645302 /nfs/dbraw/zinc/64/53/02/1268645302.db2.gz BPMWWIQYSBKCJB-GBBGEASQSA-N 2 1 359.470 0.912 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449586 1268652241 /nfs/dbraw/zinc/65/22/41/1268652241.db2.gz GQSYJAHYZJJDMA-DOTOQJQBSA-N 2 1 365.522 0.304 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449586 1268652253 /nfs/dbraw/zinc/65/22/53/1268652253.db2.gz GQSYJAHYZJJDMA-DOTOQJQBSA-N 2 1 365.522 0.304 20 0 FCADMP O=C(N[C@@H]1CCCn2ncnc21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553461773 1268655337 /nfs/dbraw/zinc/65/53/37/1268655337.db2.gz VGGAPBHPWFAWCW-OWCLPIDISA-N 2 1 359.478 0.723 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496649 1269033667 /nfs/dbraw/zinc/03/36/67/1269033667.db2.gz LTNWEBRGJUWOMY-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001341647938 1269130355 /nfs/dbraw/zinc/13/03/55/1269130355.db2.gz ZDQPBVCWPBDNCB-HNNXBMFYSA-N 2 1 358.552 0.860 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001341647938 1269130359 /nfs/dbraw/zinc/13/03/59/1269130359.db2.gz ZDQPBVCWPBDNCB-HNNXBMFYSA-N 2 1 358.552 0.860 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001341712154 1269164645 /nfs/dbraw/zinc/16/46/45/1269164645.db2.gz JNLWLOWKMUJPHE-QZTJIDSGSA-N 2 1 373.501 0.695 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844831 1269243467 /nfs/dbraw/zinc/24/34/67/1269243467.db2.gz LOSAHYSOWCQCPF-IEBWSBKVSA-N 3 1 371.529 0.484 20 0 FCADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844831 1269243475 /nfs/dbraw/zinc/24/34/75/1269243475.db2.gz LOSAHYSOWCQCPF-IEBWSBKVSA-N 2 1 371.529 0.484 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844831 1269243481 /nfs/dbraw/zinc/24/34/81/1269243481.db2.gz LOSAHYSOWCQCPF-IEBWSBKVSA-N 2 1 371.529 0.484 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958424 1269279829 /nfs/dbraw/zinc/27/98/29/1269279829.db2.gz MWHJDLWTAKCUSP-WMZOPIPTSA-N 2 1 373.501 0.297 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001565779352 1269493745 /nfs/dbraw/zinc/49/37/45/1269493745.db2.gz FARPFLXMEDQBLM-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1)C1CCC1 ZINC001566044796 1269576322 /nfs/dbraw/zinc/57/63/22/1269576322.db2.gz PTCRQWXUQTXWRM-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)C1CCC1 ZINC001566044796 1269576327 /nfs/dbraw/zinc/57/63/27/1269576327.db2.gz PTCRQWXUQTXWRM-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)C1CCC1 ZINC001566044796 1269576336 /nfs/dbraw/zinc/57/63/36/1269576336.db2.gz PTCRQWXUQTXWRM-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@H](C)[NH+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CCOC)CC1 ZINC001342854965 1269646460 /nfs/dbraw/zinc/64/64/60/1269646460.db2.gz OTCXTCZISXYAOK-UONOGXRCSA-N 2 1 366.466 0.330 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1OC ZINC001343100990 1269770486 /nfs/dbraw/zinc/77/04/86/1269770486.db2.gz FCRFYEMTPWLPNC-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OC ZINC001343100990 1269770491 /nfs/dbraw/zinc/77/04/91/1269770491.db2.gz FCRFYEMTPWLPNC-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OC ZINC001343100990 1269770494 /nfs/dbraw/zinc/77/04/94/1269770494.db2.gz FCRFYEMTPWLPNC-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C ZINC001343115352 1269781130 /nfs/dbraw/zinc/78/11/30/1269781130.db2.gz BPNIBHZRUAXWRO-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001343115352 1269781136 /nfs/dbraw/zinc/78/11/36/1269781136.db2.gz BPNIBHZRUAXWRO-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001343115352 1269781149 /nfs/dbraw/zinc/78/11/49/1269781149.db2.gz BPNIBHZRUAXWRO-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001573646987 1270848377 /nfs/dbraw/zinc/84/83/77/1270848377.db2.gz ZBUHVRDUXNHUQK-OAHLLOKOSA-N 2 1 363.510 0.558 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574210211 1271098767 /nfs/dbraw/zinc/09/87/67/1271098767.db2.gz IRJPDYNKYCZWER-MRXNPFEDSA-N 2 1 372.477 0.935 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260787 1271135368 /nfs/dbraw/zinc/13/53/68/1271135368.db2.gz XFXDWQYYEWNGJT-UONOGXRCSA-N 2 1 372.477 0.721 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574670884 1271471820 /nfs/dbraw/zinc/47/18/20/1271471820.db2.gz FYNJDPSOQKCBIE-LBPRGKRZSA-N 2 1 358.450 0.475 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673125 1271476678 /nfs/dbraw/zinc/47/66/78/1271476678.db2.gz ZGYDMMMOQUKRRA-CZUORRHYSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574803223 1271540848 /nfs/dbraw/zinc/54/08/48/1271540848.db2.gz BLKWKHPGPJLYNJ-STQMWFEESA-N 2 1 358.450 0.544 20 0 FCADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853547 1271603490 /nfs/dbraw/zinc/60/34/90/1271603490.db2.gz BOXNIQWGXYMTKB-CQSZACIVSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874880 1271627278 /nfs/dbraw/zinc/62/72/78/1271627278.db2.gz FLCRIKMSTRPCOM-NEPJUHHUSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876234 1271634169 /nfs/dbraw/zinc/63/41/69/1271634169.db2.gz KXZPVXQRKARXAD-FZMZJTMJSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896186 1271658281 /nfs/dbraw/zinc/65/82/81/1271658281.db2.gz BVXAPDGDLQKCSX-ZFWWWQNUSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909580 1271672031 /nfs/dbraw/zinc/67/20/31/1271672031.db2.gz PRQQUDZXXUPJSO-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909581 1271672628 /nfs/dbraw/zinc/67/26/28/1271672628.db2.gz PRQQUDZXXUPJSO-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@](O)(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183399 1271773049 /nfs/dbraw/zinc/77/30/49/1271773049.db2.gz HZQWTWGFUNWYDI-QAPCUYQASA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183398 1271773409 /nfs/dbraw/zinc/77/34/09/1271773409.db2.gz HZQWTWGFUNWYDI-MAUKXSAKSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195722 1271780823 /nfs/dbraw/zinc/78/08/23/1271780823.db2.gz MMNWTLIHFUOLLO-YJBOKZPZSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001575214751 1271794369 /nfs/dbraw/zinc/79/43/69/1271794369.db2.gz FPUZHPWEONFVMC-OKILXGFUSA-N 2 1 352.479 0.653 20 0 FCADMP CC(C)(C)OC(=O)NCC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC001575223460 1271820405 /nfs/dbraw/zinc/82/04/05/1271820405.db2.gz IMJAZIULPGPVLG-MRXNPFEDSA-N 2 1 359.511 0.946 20 0 FCADMP CC(C)(C(=O)N1CCC[C@](CO)([NH2+]CCc2c[nH]nn2)C1)[NH+]1CCCC1 ZINC001575237514 1271845659 /nfs/dbraw/zinc/84/56/59/1271845659.db2.gz NXFDJDPZNFIWQW-SFHVURJKSA-N 2 1 364.494 0.165 20 0 FCADMP CC(C)([NH3+])Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575365013 1272006694 /nfs/dbraw/zinc/00/66/94/1272006694.db2.gz ALECTFLFUMAMLW-MRXNPFEDSA-N 2 1 371.489 0.522 20 0 FCADMP CC(C)([NH3+])Cn1c(Cc2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575365013 1272006698 /nfs/dbraw/zinc/00/66/98/1272006698.db2.gz ALECTFLFUMAMLW-MRXNPFEDSA-N 2 1 371.489 0.522 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575365826 1272007985 /nfs/dbraw/zinc/00/79/85/1272007985.db2.gz GPRWKQJVZJFDLI-GJZGRUSLSA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575365826 1272007989 /nfs/dbraw/zinc/00/79/89/1272007989.db2.gz GPRWKQJVZJFDLI-GJZGRUSLSA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)[C@@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575458008 1272128649 /nfs/dbraw/zinc/12/86/49/1272128649.db2.gz AMHBQIVEAYPFFX-CABCVRRESA-N 2 1 372.477 0.239 20 0 FCADMP CC(C)[C@@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575458008 1272128655 /nfs/dbraw/zinc/12/86/55/1272128655.db2.gz AMHBQIVEAYPFFX-CABCVRRESA-N 2 1 372.477 0.239 20 0 FCADMP CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575681657 1272294953 /nfs/dbraw/zinc/29/49/53/1272294953.db2.gz HMWNAJWQAHLWLT-CQSZACIVSA-N 2 1 372.477 0.803 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001575699678 1272319864 /nfs/dbraw/zinc/31/98/64/1272319864.db2.gz JLVUAGJAWZBHHH-KRWDZBQOSA-N 2 1 352.523 0.677 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001575699079 1272321897 /nfs/dbraw/zinc/32/18/97/1272321897.db2.gz CCTJTPMEHYGLTR-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC2(C1)CC[NH2+]C2 ZINC001576007939 1272698549 /nfs/dbraw/zinc/69/85/49/1272698549.db2.gz JZFWTLQLNYTODP-INIZCTEOSA-N 2 1 358.490 0.597 20 0 FCADMP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576112483 1272902092 /nfs/dbraw/zinc/90/20/92/1272902092.db2.gz WFLYKFLHOZYUOH-JKSUJKDBSA-N 2 1 360.506 0.907 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001576455314 1273285395 /nfs/dbraw/zinc/28/53/95/1273285395.db2.gz IBZYVNRBBDFWPM-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001576455314 1273285406 /nfs/dbraw/zinc/28/54/06/1273285406.db2.gz IBZYVNRBBDFWPM-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576480504 1273318408 /nfs/dbraw/zinc/31/84/08/1273318408.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001576480504 1273318418 /nfs/dbraw/zinc/31/84/18/1273318418.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576480504 1273318423 /nfs/dbraw/zinc/31/84/23/1273318423.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576480504 1273318433 /nfs/dbraw/zinc/31/84/33/1273318433.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576480504 1273318437 /nfs/dbraw/zinc/31/84/37/1273318437.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001576480504 1273318444 /nfs/dbraw/zinc/31/84/44/1273318444.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576480504 1273318448 /nfs/dbraw/zinc/31/84/48/1273318448.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 2 1 352.483 0.022 20 0 FCADMP CC1(C)[NH2+][C@H](CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CO1 ZINC001576488385 1273338166 /nfs/dbraw/zinc/33/81/66/1273338166.db2.gz CMMUVWXDWWJMLN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748489 1273620781 /nfs/dbraw/zinc/62/07/81/1273620781.db2.gz XUBFTSPRQHBVFC-CUSZFKRNSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748489 1273620790 /nfs/dbraw/zinc/62/07/90/1273620790.db2.gz XUBFTSPRQHBVFC-CUSZFKRNSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748489 1273620796 /nfs/dbraw/zinc/62/07/96/1273620796.db2.gz XUBFTSPRQHBVFC-CUSZFKRNSA-N 2 1 360.506 0.858 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794282 1273697006 /nfs/dbraw/zinc/69/70/06/1273697006.db2.gz DRANWKAQOAIHBF-HUUCEWRRSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC001576830283 1273755415 /nfs/dbraw/zinc/75/54/15/1273755415.db2.gz FOEVUGCTVPMMGU-LDDOYCOJSA-N 2 1 364.494 0.370 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)C1 ZINC001576996867 1274029044 /nfs/dbraw/zinc/02/90/44/1274029044.db2.gz XXELKMZINXIOGK-SOUVJXGZSA-N 2 1 363.510 0.492 20 0 FCADMP CC[C@@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577149733 1274201548 /nfs/dbraw/zinc/20/15/48/1274201548.db2.gz YRZUYSQSXLZHIK-RBSFLKMASA-N 2 1 350.467 0.388 20 0 FCADMP CC[C@@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577149733 1274201555 /nfs/dbraw/zinc/20/15/55/1274201555.db2.gz YRZUYSQSXLZHIK-RBSFLKMASA-N 2 1 350.467 0.388 20 0 FCADMP CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCC[NH2+]2)n1CCn1cc[nH+]c1C ZINC001577236033 1274270485 /nfs/dbraw/zinc/27/04/85/1274270485.db2.gz ADFMGMZZQWLTON-LSDHHAIUSA-N 2 1 372.477 0.623 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499482 1274456211 /nfs/dbraw/zinc/45/62/11/1274456211.db2.gz MLFKYRSCETXHTC-RBSFLKMASA-N 2 1 363.510 0.745 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499480 1274456224 /nfs/dbraw/zinc/45/62/24/1274456224.db2.gz MLFKYRSCETXHTC-KFWWJZLASA-N 2 1 363.510 0.745 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550279 1274489420 /nfs/dbraw/zinc/48/94/20/1274489420.db2.gz CGNHPYPAXVSESI-KBPBESRZSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577555090 1274496440 /nfs/dbraw/zinc/49/64/40/1274496440.db2.gz XQZCGDLDNUEXBJ-ZFWWWQNUSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577556816 1274498763 /nfs/dbraw/zinc/49/87/63/1274498763.db2.gz IUYXAZLTJOGSFJ-KBPBESRZSA-N 2 1 370.461 0.701 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558217 1274502036 /nfs/dbraw/zinc/50/20/36/1274502036.db2.gz DJJWKROACHNNMR-DZGCQCFKSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558555 1274504291 /nfs/dbraw/zinc/50/42/91/1274504291.db2.gz KVBFTKXXRVATKW-GOSISDBHSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577560815 1274508415 /nfs/dbraw/zinc/50/84/15/1274508415.db2.gz IHHDZDIJWOREFL-CYBMUJFWSA-N 2 1 358.450 0.607 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577561151 1274510091 /nfs/dbraw/zinc/51/00/91/1274510091.db2.gz RIJQGSCSLLQGLX-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577565161 1274520478 /nfs/dbraw/zinc/52/04/78/1274520478.db2.gz LGSIJHZUFRZELL-GASCZTMLSA-N 2 1 357.462 0.945 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567794 1274523387 /nfs/dbraw/zinc/52/33/87/1274523387.db2.gz HLLXUUYRVFIUAT-CYBMUJFWSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576292 1274543073 /nfs/dbraw/zinc/54/30/73/1274543073.db2.gz VBMCIYCMPUUYOU-JOCQHMNTSA-N 2 1 358.450 0.475 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577597955 1274565609 /nfs/dbraw/zinc/56/56/09/1274565609.db2.gz MQFRRKJNRGSBLQ-CQSZACIVSA-N 2 1 372.477 0.854 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001577674843 1274710935 /nfs/dbraw/zinc/71/09/35/1274710935.db2.gz KPBAIBVLGZLEFA-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001577674843 1274710938 /nfs/dbraw/zinc/71/09/38/1274710938.db2.gz KPBAIBVLGZLEFA-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763954 1274848917 /nfs/dbraw/zinc/84/89/17/1274848917.db2.gz NABGZRMTKOHYPK-ZFWWWQNUSA-N 2 1 361.494 0.499 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763953 1274848968 /nfs/dbraw/zinc/84/89/68/1274848968.db2.gz NABGZRMTKOHYPK-UKRRQHHQSA-N 2 1 361.494 0.499 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC001577763611 1274849281 /nfs/dbraw/zinc/84/92/81/1274849281.db2.gz FYRBXLKTNNLPMI-IJEWVQPXSA-N 2 1 358.494 0.804 20 0 FCADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH2+]CC2)CC1 ZINC001577775480 1274866859 /nfs/dbraw/zinc/86/68/59/1274866859.db2.gz HFJYVOBXTRBBCJ-QGZVFWFLSA-N 2 1 363.554 0.912 20 0 FCADMP CCN1CC[NH+](CCCn2c([C@H]3CCC[NH2+]C3)nnc2N(C)OC)CC1 ZINC001577778329 1274871414 /nfs/dbraw/zinc/87/14/14/1274871414.db2.gz SXRYBHSJZQYOMH-INIZCTEOSA-N 2 1 365.526 0.770 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@@H]1C ZINC001577782026 1274876068 /nfs/dbraw/zinc/87/60/68/1274876068.db2.gz SXZLDUCYVKKOKY-MAUKXSAKSA-N 2 1 366.510 0.808 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849350 1274984916 /nfs/dbraw/zinc/98/49/16/1274984916.db2.gz KHFLUOOBWVQJPY-UHFFFAOYSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852606 1275001367 /nfs/dbraw/zinc/00/13/67/1275001367.db2.gz VSBMQFYDZFYSLQ-ZDUSSCGKSA-N 2 1 358.450 0.347 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577856375 1275011956 /nfs/dbraw/zinc/01/19/56/1275011956.db2.gz XQCFCENQUUOFIA-DZGCQCFKSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001577860380 1275022581 /nfs/dbraw/zinc/02/25/81/1275022581.db2.gz VYZAUFSNQFNUCR-HOTGVXAUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001577860380 1275022584 /nfs/dbraw/zinc/02/25/84/1275022584.db2.gz VYZAUFSNQFNUCR-HOTGVXAUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001577860380 1275022587 /nfs/dbraw/zinc/02/25/87/1275022587.db2.gz VYZAUFSNQFNUCR-HOTGVXAUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001577860380 1275022592 /nfs/dbraw/zinc/02/25/92/1275022592.db2.gz VYZAUFSNQFNUCR-HOTGVXAUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862367 1275027536 /nfs/dbraw/zinc/02/75/36/1275027536.db2.gz AAUAMQROYLPGGM-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862367 1275027539 /nfs/dbraw/zinc/02/75/39/1275027539.db2.gz AAUAMQROYLPGGM-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862367 1275027544 /nfs/dbraw/zinc/02/75/44/1275027544.db2.gz AAUAMQROYLPGGM-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577868721 1275052207 /nfs/dbraw/zinc/05/22/07/1275052207.db2.gz FWQSAKXIBACXEE-HZPDHXFCSA-N 2 1 364.494 0.302 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577868721 1275052217 /nfs/dbraw/zinc/05/22/17/1275052217.db2.gz FWQSAKXIBACXEE-HZPDHXFCSA-N 2 1 364.494 0.302 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577872370 1275064783 /nfs/dbraw/zinc/06/47/83/1275064783.db2.gz WXQBZNDQKDGBRC-QGZVFWFLSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577872370 1275064787 /nfs/dbraw/zinc/06/47/87/1275064787.db2.gz WXQBZNDQKDGBRC-QGZVFWFLSA-N 2 1 371.489 0.394 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949194 1275169506 /nfs/dbraw/zinc/16/95/06/1275169506.db2.gz COHZUFYTLLRRAE-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949194 1275169511 /nfs/dbraw/zinc/16/95/11/1275169511.db2.gz COHZUFYTLLRRAE-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949194 1275169514 /nfs/dbraw/zinc/16/95/14/1275169514.db2.gz COHZUFYTLLRRAE-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949194 1275169520 /nfs/dbraw/zinc/16/95/20/1275169520.db2.gz COHZUFYTLLRRAE-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP CCOCCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578115267 1275417062 /nfs/dbraw/zinc/41/70/62/1275417062.db2.gz DHPXOBZUFNANSK-YJBOKZPZSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC[NH2+]C ZINC001578126989 1275426034 /nfs/dbraw/zinc/42/60/34/1275426034.db2.gz JJPDGKSZFCPKHU-UHFFFAOYSA-N 2 1 354.499 0.581 20 0 FCADMP CCOCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC[NH2+]C ZINC001578126989 1275426039 /nfs/dbraw/zinc/42/60/39/1275426039.db2.gz JJPDGKSZFCPKHU-UHFFFAOYSA-N 2 1 354.499 0.581 20 0 FCADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH2+]C ZINC001578128946 1275428364 /nfs/dbraw/zinc/42/83/64/1275428364.db2.gz FDPVMJIMFJGFRI-JKSUJKDBSA-N 2 1 366.510 0.581 20 0 FCADMP CCOCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[NH2+]C ZINC001578132787 1275430572 /nfs/dbraw/zinc/43/05/72/1275430572.db2.gz VPBJMRJAGVBGOA-MRXNPFEDSA-N 2 1 366.510 0.583 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[C@@H]1CC[NH2+]C1 ZINC001578142194 1275441936 /nfs/dbraw/zinc/44/19/36/1275441936.db2.gz OEBMKBDYGKFTRB-HOTGVXAUSA-N 2 1 364.494 0.335 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[C@@H]1CC[NH2+]C1 ZINC001578142194 1275441938 /nfs/dbraw/zinc/44/19/38/1275441938.db2.gz OEBMKBDYGKFTRB-HOTGVXAUSA-N 2 1 364.494 0.335 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578218969 1275511330 /nfs/dbraw/zinc/51/13/30/1275511330.db2.gz AQJFBOGHKUESCV-MRXNPFEDSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219540 1275517662 /nfs/dbraw/zinc/51/76/62/1275517662.db2.gz MNLFSMSZEBMMLH-BBRMVZONSA-N 2 1 372.477 0.783 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223666 1275524117 /nfs/dbraw/zinc/52/41/17/1275524117.db2.gz CYGOJINEZXRPPE-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223666 1275524122 /nfs/dbraw/zinc/52/41/22/1275524122.db2.gz CYGOJINEZXRPPE-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578312463 1275650912 /nfs/dbraw/zinc/65/09/12/1275650912.db2.gz VRKGDPLHPMIQQK-HOTGVXAUSA-N 2 1 350.511 0.855 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578312464 1275651556 /nfs/dbraw/zinc/65/15/56/1275651556.db2.gz VRKGDPLHPMIQQK-HZPDHXFCSA-N 2 1 350.511 0.855 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447188 1275839740 /nfs/dbraw/zinc/83/97/40/1275839740.db2.gz NUVMVRPPVOXTSM-DZGCQCFKSA-N 2 1 372.477 0.853 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CC)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446969 1275841546 /nfs/dbraw/zinc/84/15/46/1275841546.db2.gz JKCQOXUFSVWYEX-DZGCQCFKSA-N 2 1 372.477 0.935 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[NH3+] ZINC001578471801 1275884286 /nfs/dbraw/zinc/88/42/86/1275884286.db2.gz MVKQDUVYYRECKD-UHFFFAOYSA-N 2 1 360.466 0.241 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[NH3+] ZINC001578471801 1275884299 /nfs/dbraw/zinc/88/42/99/1275884299.db2.gz MVKQDUVYYRECKD-UHFFFAOYSA-N 2 1 360.466 0.241 20 0 FCADMP C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC001578481046 1275895704 /nfs/dbraw/zinc/89/57/04/1275895704.db2.gz LBBKHYXRWXXHAE-ZFWWWQNUSA-N 2 1 361.494 0.641 20 0 FCADMP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525017 1275957179 /nfs/dbraw/zinc/95/71/79/1275957179.db2.gz MJXOMTIEPDDZJG-IAGOWNOFSA-N 2 1 352.523 0.900 20 0 FCADMP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525020 1275957397 /nfs/dbraw/zinc/95/73/97/1275957397.db2.gz MJXOMTIEPDDZJG-SJORKVTESA-N 2 1 352.523 0.900 20 0 FCADMP CN(Cc1ccco1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578525204 1275958448 /nfs/dbraw/zinc/95/84/48/1275958448.db2.gz AYGHCNCTIOJMDF-IYOUNJFTSA-N 2 1 360.462 0.779 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528711 1275959949 /nfs/dbraw/zinc/95/99/49/1275959949.db2.gz LCTXTQNOZUNSBI-OLZOCXBDSA-N 2 1 351.417 0.464 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578533486 1275964482 /nfs/dbraw/zinc/96/44/82/1275964482.db2.gz KMOGXBBRCLQJKW-IBGZPJMESA-N 2 1 352.523 0.413 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)CCOC)C1 ZINC001578615587 1276051570 /nfs/dbraw/zinc/05/15/70/1276051570.db2.gz NSYRTOWMQCNUNV-CVEARBPZSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)CCCOC)C1 ZINC001578618006 1276053508 /nfs/dbraw/zinc/05/35/08/1276053508.db2.gz QSEFDUSIWZFKNB-HZPDHXFCSA-N 2 1 366.510 0.896 20 0 FCADMP COC(=O)C1=C(C)O[C@@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784085 1276265827 /nfs/dbraw/zinc/26/58/27/1276265827.db2.gz RYSUIHXIQDNEKH-GBOPCIDUSA-N 2 1 351.403 0.089 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC001578855158 1276377952 /nfs/dbraw/zinc/37/79/52/1276377952.db2.gz BIEFCMDCMQFPAT-JSGCOSHPSA-N 2 1 350.419 0.541 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC001578855158 1276377957 /nfs/dbraw/zinc/37/79/57/1276377957.db2.gz BIEFCMDCMQFPAT-JSGCOSHPSA-N 2 1 350.419 0.541 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578973036 1276519436 /nfs/dbraw/zinc/51/94/36/1276519436.db2.gz UQILGPLQHMCNGL-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578973036 1276519448 /nfs/dbraw/zinc/51/94/48/1276519448.db2.gz UQILGPLQHMCNGL-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578976405 1276527706 /nfs/dbraw/zinc/52/77/06/1276527706.db2.gz YKZHKPOGTAGLLB-DOTOQJQBSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578980553 1276540476 /nfs/dbraw/zinc/54/04/76/1276540476.db2.gz KUBCMRDHYBYNKR-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578980571 1276540956 /nfs/dbraw/zinc/54/09/56/1276540956.db2.gz LNIUVINGEMCPLB-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](C)CCCC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578986959 1276554926 /nfs/dbraw/zinc/55/49/26/1276554926.db2.gz AFNCMIFVFVYSEY-UHFFFAOYSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578986047 1276555434 /nfs/dbraw/zinc/55/54/34/1276555434.db2.gz XMVVNLFNISBYEV-KRWDZBQOSA-N 2 1 358.450 0.689 20 0 FCADMP C[N@@H+](CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006100 1276576813 /nfs/dbraw/zinc/57/68/13/1276576813.db2.gz NHRRDKRXWNBHSR-UHFFFAOYSA-N 2 1 370.461 0.475 20 0 FCADMP C[N@@H+](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579015298 1276589512 /nfs/dbraw/zinc/58/95/12/1276589512.db2.gz SCTFPBXYSCYRJW-UHFFFAOYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001579015209 1276590782 /nfs/dbraw/zinc/59/07/82/1276590782.db2.gz OVLJNOQZXDZOGK-UHFFFAOYSA-N 2 1 369.473 0.899 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037171 1276620383 /nfs/dbraw/zinc/62/03/83/1276620383.db2.gz IRELVHVIISYJGC-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H](C)OC)CC1 ZINC001579037072 1276620606 /nfs/dbraw/zinc/62/06/06/1276620606.db2.gz DVMZBERWQGLLFM-CABCVRRESA-N 2 1 352.483 0.506 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH3+])C[C@@H]1C ZINC001579038375 1276622615 /nfs/dbraw/zinc/62/26/15/1276622615.db2.gz GOAQXHMVZPYYEP-GJZGRUSLSA-N 2 1 374.493 0.487 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579133619 1276834367 /nfs/dbraw/zinc/83/43/67/1276834367.db2.gz ZHSPVGGMLDCQHD-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579133619 1276834385 /nfs/dbraw/zinc/83/43/85/1276834385.db2.gz ZHSPVGGMLDCQHD-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579133619 1276834402 /nfs/dbraw/zinc/83/44/02/1276834402.db2.gz ZHSPVGGMLDCQHD-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001579163739 1276914490 /nfs/dbraw/zinc/91/44/90/1276914490.db2.gz AIFCLAUBQOMTHC-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168723 1276920673 /nfs/dbraw/zinc/92/06/73/1276920673.db2.gz IVJQJPZLXPKQPY-XJKSGUPXSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172361 1276928701 /nfs/dbraw/zinc/92/87/01/1276928701.db2.gz QPJWDRQFKCDMAN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172361 1276928708 /nfs/dbraw/zinc/92/87/08/1276928708.db2.gz QPJWDRQFKCDMAN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172361 1276928716 /nfs/dbraw/zinc/92/87/16/1276928716.db2.gz QPJWDRQFKCDMAN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172361 1276928721 /nfs/dbraw/zinc/92/87/21/1276928721.db2.gz QPJWDRQFKCDMAN-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579175793 1276935664 /nfs/dbraw/zinc/93/56/64/1276935664.db2.gz MIQFWVBMHIKHQU-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579326468 1277150260 /nfs/dbraw/zinc/15/02/60/1277150260.db2.gz OGAZERVNQICRTD-MELADBBJSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579326468 1277150264 /nfs/dbraw/zinc/15/02/64/1277150264.db2.gz OGAZERVNQICRTD-MELADBBJSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326821 1277152888 /nfs/dbraw/zinc/15/28/88/1277152888.db2.gz MUYAKKOZHLDLQR-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327515 1277154058 /nfs/dbraw/zinc/15/40/58/1277154058.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327515 1277154064 /nfs/dbraw/zinc/15/40/64/1277154064.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327515 1277154066 /nfs/dbraw/zinc/15/40/66/1277154066.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327379 1277154577 /nfs/dbraw/zinc/15/45/77/1277154577.db2.gz RLSRFIHDTBWSDC-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579327846 1277154600 /nfs/dbraw/zinc/15/46/00/1277154600.db2.gz YALJGPKEHHMFKQ-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579328639 1277156406 /nfs/dbraw/zinc/15/64/06/1277156406.db2.gz HSOYJFAVKUHXGN-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP COc1nnc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC001579328999 1277156846 /nfs/dbraw/zinc/15/68/46/1277156846.db2.gz LZBSTXAWZOWEBI-TXEJJXNPSA-N 2 1 352.464 0.979 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579331380 1277160108 /nfs/dbraw/zinc/16/01/08/1277160108.db2.gz AZUPTVHMBJIDAN-CYBMUJFWSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331697 1277161500 /nfs/dbraw/zinc/16/15/00/1277161500.db2.gz GQVIJXQYSPAGBY-WFASDCNBSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331697 1277161502 /nfs/dbraw/zinc/16/15/02/1277161502.db2.gz GQVIJXQYSPAGBY-WFASDCNBSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001579332171 1277163193 /nfs/dbraw/zinc/16/31/93/1277163193.db2.gz JTXOGNBHTMQMAG-CYBMUJFWSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332885 1277165894 /nfs/dbraw/zinc/16/58/94/1277165894.db2.gz MHUWIEOKDYMLJH-QFBILLFUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332885 1277165897 /nfs/dbraw/zinc/16/58/97/1277165897.db2.gz MHUWIEOKDYMLJH-QFBILLFUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332885 1277165898 /nfs/dbraw/zinc/16/58/98/1277165898.db2.gz MHUWIEOKDYMLJH-QFBILLFUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333839 1277168768 /nfs/dbraw/zinc/16/87/68/1277168768.db2.gz SKZQIEBZDRTHRS-DNVCBOLYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333839 1277168769 /nfs/dbraw/zinc/16/87/69/1277168769.db2.gz SKZQIEBZDRTHRS-DNVCBOLYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333839 1277168771 /nfs/dbraw/zinc/16/87/71/1277168771.db2.gz SKZQIEBZDRTHRS-DNVCBOLYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334438 1277171006 /nfs/dbraw/zinc/17/10/06/1277171006.db2.gz FCIMPIQZVAAFDV-PYLYLYNFSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334552 1277171099 /nfs/dbraw/zinc/17/10/99/1277171099.db2.gz YRLTVCRCMNHIJR-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334552 1277171100 /nfs/dbraw/zinc/17/11/00/1277171100.db2.gz YRLTVCRCMNHIJR-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334552 1277171101 /nfs/dbraw/zinc/17/11/01/1277171101.db2.gz YRLTVCRCMNHIJR-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334552 1277171102 /nfs/dbraw/zinc/17/11/02/1277171102.db2.gz YRLTVCRCMNHIJR-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579335039 1277172950 /nfs/dbraw/zinc/17/29/50/1277172950.db2.gz MCXONOVLLBFAMD-CQSZACIVSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579335957 1277175270 /nfs/dbraw/zinc/17/52/70/1277175270.db2.gz XHHYROIVKNKACJ-GBOPCIDUSA-N 2 1 368.445 0.012 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579335664 1277177485 /nfs/dbraw/zinc/17/74/85/1277177485.db2.gz TUKAZEOMRWSCTR-HNNXBMFYSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339977 1277186003 /nfs/dbraw/zinc/18/60/03/1277186003.db2.gz OTJFDPLCDXACDK-OAGGEKHMSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340958 1277186686 /nfs/dbraw/zinc/18/66/86/1277186686.db2.gz DIJSJPJCMAMFRT-ZIAGYGMSSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342625 1277190679 /nfs/dbraw/zinc/19/06/79/1277190679.db2.gz APSJQQCZJDXNBX-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342625 1277190681 /nfs/dbraw/zinc/19/06/81/1277190681.db2.gz APSJQQCZJDXNBX-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342625 1277190682 /nfs/dbraw/zinc/19/06/82/1277190682.db2.gz APSJQQCZJDXNBX-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353636 1277215508 /nfs/dbraw/zinc/21/55/08/1277215508.db2.gz QOFMJNZFHVQMPA-HOCLYGCPSA-N 2 1 373.436 0.791 20 0 FCADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713169702 1287269194 /nfs/dbraw/zinc/26/91/94/1287269194.db2.gz RYXABKZYKFNUDC-TVFCKZIOSA-N 2 1 358.486 0.705 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358157 1277224331 /nfs/dbraw/zinc/22/43/31/1277224331.db2.gz AIPBTERHHSREHM-IRXDYDNUSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001579358398 1277227542 /nfs/dbraw/zinc/22/75/42/1277227542.db2.gz CWZOTFYZTCCPJR-HNNXBMFYSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579363164 1277242344 /nfs/dbraw/zinc/24/23/44/1277242344.db2.gz WMKRRXDAWYMWCT-XIRDDKMYSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372120 1277253521 /nfs/dbraw/zinc/25/35/21/1277253521.db2.gz KAGKJCKZWUSQAM-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372120 1277253524 /nfs/dbraw/zinc/25/35/24/1277253524.db2.gz KAGKJCKZWUSQAM-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372120 1277253527 /nfs/dbraw/zinc/25/35/27/1277253527.db2.gz KAGKJCKZWUSQAM-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579372189 1277256991 /nfs/dbraw/zinc/25/69/91/1277256991.db2.gz ZFAAZLNJRHFZBW-MRXNPFEDSA-N 2 1 355.446 0.509 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001579444307 1277330844 /nfs/dbraw/zinc/33/08/44/1277330844.db2.gz DELDFWHKJAZNCK-RDTXWAMCSA-N 2 1 359.478 0.148 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001713485460 1287282771 /nfs/dbraw/zinc/28/27/71/1287282771.db2.gz VBTACFOPEJIJKK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001713485460 1287282773 /nfs/dbraw/zinc/28/27/73/1287282773.db2.gz VBTACFOPEJIJKK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001713485460 1287282775 /nfs/dbraw/zinc/28/27/75/1287282775.db2.gz VBTACFOPEJIJKK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001713485460 1287282777 /nfs/dbraw/zinc/28/27/77/1287282777.db2.gz VBTACFOPEJIJKK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@H](C)C[NH3+])o1 ZINC001579652903 1277721561 /nfs/dbraw/zinc/72/15/61/1277721561.db2.gz ITOKELGDFYPCSG-UKRRQHHQSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@H](C)C[NH3+])o1 ZINC001579652903 1277721567 /nfs/dbraw/zinc/72/15/67/1277721567.db2.gz ITOKELGDFYPCSG-UKRRQHHQSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1cccc(-c2nnc(N3CC[C@H]([NH3+])C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001579745627 1277855356 /nfs/dbraw/zinc/85/53/56/1277855356.db2.gz SSQJKYYKWZUHEF-CVEARBPZSA-N 2 1 371.489 0.907 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001579855627 1277937014 /nfs/dbraw/zinc/93/70/14/1277937014.db2.gz VBKXUKZBFQLMHO-HZPDHXFCSA-N 2 1 373.461 0.134 20 0 FCADMP Cc1nnc(N2CC[C@H]([NH3+])C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001579911041 1277959035 /nfs/dbraw/zinc/95/90/35/1277959035.db2.gz DLKPRCVGXDGZOB-GOEBONIOSA-N 2 1 352.508 0.332 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC001580008063 1277988973 /nfs/dbraw/zinc/98/89/73/1277988973.db2.gz CDGRJSFZNUUUKQ-AWEZNQCLSA-N 2 1 373.461 0.518 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089131 1278003795 /nfs/dbraw/zinc/00/37/95/1278003795.db2.gz LBICLJLDKXZBKG-IRXDYDNUSA-N 2 1 356.470 0.610 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714541922 1287325675 /nfs/dbraw/zinc/32/56/75/1287325675.db2.gz CTPSENZJKNIAMM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714541922 1287325678 /nfs/dbraw/zinc/32/56/78/1287325678.db2.gz CTPSENZJKNIAMM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714541922 1287325679 /nfs/dbraw/zinc/32/56/79/1287325679.db2.gz CTPSENZJKNIAMM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714541922 1287325682 /nfs/dbraw/zinc/32/56/82/1287325682.db2.gz CTPSENZJKNIAMM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967488 1279169093 /nfs/dbraw/zinc/16/90/93/1279169093.db2.gz SZZIFWHEWCUANQ-UKRRQHHQSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967490 1279169232 /nfs/dbraw/zinc/16/92/32/1279169232.db2.gz SZZIFWHEWCUANQ-ZFWWWQNUSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968270 1279170067 /nfs/dbraw/zinc/17/00/67/1279170067.db2.gz NELNJTHEWKSXFK-UHFFFAOYSA-N 2 1 372.477 0.949 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987082 1279183426 /nfs/dbraw/zinc/18/34/26/1279183426.db2.gz FOUITEIKNQQUBB-IAQYHMDHSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990715 1279193042 /nfs/dbraw/zinc/19/30/42/1279193042.db2.gz HMEHLHJIQWNFRG-TZMCWYRMSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002385 1279219611 /nfs/dbraw/zinc/21/96/11/1279219611.db2.gz PRTKHDSDMDAYHW-KGLIPLIRSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010148 1279235646 /nfs/dbraw/zinc/23/56/46/1279235646.db2.gz GHSQIZISFOCLIF-AAEUAGOBSA-N 2 1 358.450 0.108 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012848 1279239746 /nfs/dbraw/zinc/23/97/46/1279239746.db2.gz CFPROHNPEKBTLE-KBPBESRZSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581013806 1279241194 /nfs/dbraw/zinc/24/11/94/1279241194.db2.gz WOKZJFIGXQLHOD-LLVKDONJSA-N 2 1 369.433 0.361 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581013807 1279241272 /nfs/dbraw/zinc/24/12/72/1279241272.db2.gz WOKZJFIGXQLHOD-NSHDSACASA-N 2 1 369.433 0.361 20 0 FCADMP Cc1cc(NC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015821 1279243546 /nfs/dbraw/zinc/24/35/46/1279243546.db2.gz DODYHJBUNNHGGX-JKSUJKDBSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022279 1279252633 /nfs/dbraw/zinc/25/26/33/1279252633.db2.gz YBWXVJAMIBYFJW-XJKSGUPXSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027581 1279260770 /nfs/dbraw/zinc/26/07/70/1279260770.db2.gz VARXTMSEHVZQGM-GFCCVEGCSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338998 1279719875 /nfs/dbraw/zinc/71/98/75/1279719875.db2.gz YWMPKQLNKOEWQJ-IHWYPQMZSA-N 2 1 366.429 0.834 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581563894 1280140946 /nfs/dbraw/zinc/14/09/46/1280140946.db2.gz UOAKSLNTQHSSGI-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717700741 1287432331 /nfs/dbraw/zinc/43/23/31/1287432331.db2.gz FKWYPHASOJEXCF-NVXWUHKLSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717700741 1287432337 /nfs/dbraw/zinc/43/23/37/1287432337.db2.gz FKWYPHASOJEXCF-NVXWUHKLSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717700741 1287432346 /nfs/dbraw/zinc/43/23/46/1287432346.db2.gz FKWYPHASOJEXCF-NVXWUHKLSA-N 2 1 367.538 0.957 20 0 FCADMP O=C(N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582319985 1281337794 /nfs/dbraw/zinc/33/77/94/1281337794.db2.gz RHFOMQZKPMVINC-LBPRGKRZSA-N 2 1 354.418 0.052 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C[C@H]1C[NH3+] ZINC001603847998 1287518269 /nfs/dbraw/zinc/51/82/69/1287518269.db2.gz VQKQPEGYQAWPFV-LXTVHRRPSA-N 2 1 360.462 0.912 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589716753 1282960112 /nfs/dbraw/zinc/96/01/12/1282960112.db2.gz LTMHVSHWIOUSJV-INIZCTEOSA-N 2 1 370.461 0.783 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589716753 1282960121 /nfs/dbraw/zinc/96/01/21/1282960121.db2.gz LTMHVSHWIOUSJV-INIZCTEOSA-N 2 1 370.461 0.783 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000741 1282987996 /nfs/dbraw/zinc/98/79/96/1282987996.db2.gz RBGVQOQHPDRXPC-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001642000741 1282988003 /nfs/dbraw/zinc/98/80/03/1282988003.db2.gz RBGVQOQHPDRXPC-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001642000741 1282988009 /nfs/dbraw/zinc/98/80/09/1282988009.db2.gz RBGVQOQHPDRXPC-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213068 1283346148 /nfs/dbraw/zinc/34/61/48/1283346148.db2.gz ARAWZHXRUAOOII-VUWOVVPOSA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213068 1283346158 /nfs/dbraw/zinc/34/61/58/1283346158.db2.gz ARAWZHXRUAOOII-VUWOVVPOSA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213068 1283346171 /nfs/dbraw/zinc/34/61/71/1283346171.db2.gz ARAWZHXRUAOOII-VUWOVVPOSA-N 2 1 372.473 0.777 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001590269189 1283395311 /nfs/dbraw/zinc/39/53/11/1283395311.db2.gz QSYHJMCVPMLISO-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270632 1283396127 /nfs/dbraw/zinc/39/61/27/1283396127.db2.gz DXNKJPAGCUKHGD-ZDUSSCGKSA-N 2 1 358.450 0.546 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001590270779 1283396457 /nfs/dbraw/zinc/39/64/57/1283396457.db2.gz MSBYUQCLWKNJFP-LBPRGKRZSA-N 2 1 361.425 0.553 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001590271213 1283397774 /nfs/dbraw/zinc/39/77/74/1283397774.db2.gz VNCGVTOTMIRNHF-BMFZPTHFSA-N 2 1 369.473 0.945 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001590733260 1283766945 /nfs/dbraw/zinc/76/69/45/1283766945.db2.gz MPMTTYHZZWXEGJ-MRXNPFEDSA-N 2 1 357.462 0.947 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590732923 1283768545 /nfs/dbraw/zinc/76/85/45/1283768545.db2.gz IVOMLDQDPVWSEP-OAHLLOKOSA-N 2 1 358.450 0.476 20 0 FCADMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001591038588 1284099687 /nfs/dbraw/zinc/09/96/87/1284099687.db2.gz ACCLWFDQKWHZPE-UHFFFAOYSA-N 2 1 357.462 0.947 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001591135253 1284206157 /nfs/dbraw/zinc/20/61/57/1284206157.db2.gz LCXLOYLKFIHJMD-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001591135253 1284206165 /nfs/dbraw/zinc/20/61/65/1284206165.db2.gz LCXLOYLKFIHJMD-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001591135253 1284206173 /nfs/dbraw/zinc/20/61/73/1284206173.db2.gz LCXLOYLKFIHJMD-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175198 1284263389 /nfs/dbraw/zinc/26/33/89/1284263389.db2.gz JCGFIDLNALKQDB-QAVQXKDTSA-N 2 1 361.475 0.642 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001591176668 1284270274 /nfs/dbraw/zinc/27/02/74/1284270274.db2.gz SIPZNDLXUKUEFI-LBPRGKRZSA-N 2 1 361.425 0.553 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176721 1284271254 /nfs/dbraw/zinc/27/12/54/1284271254.db2.gz UCQCEAGGSAQTKG-RGDDUWESSA-N 2 1 369.473 0.971 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591184726 1284290981 /nfs/dbraw/zinc/29/09/81/1284290981.db2.gz QZZYJAMIDOLKKQ-YJBOKZPZSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591186621 1284298756 /nfs/dbraw/zinc/29/87/56/1284298756.db2.gz VROLIMSYQUAMSF-OAHLLOKOSA-N 2 1 357.462 0.947 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187357 1284299940 /nfs/dbraw/zinc/29/99/40/1284299940.db2.gz QRBAMLPZLIMXFE-ZRMMWKCHSA-N 2 1 361.475 0.784 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187535 1284302663 /nfs/dbraw/zinc/30/26/63/1284302663.db2.gz YFDLOCFGRINKFH-RXYHWBRQSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001591193100 1284311166 /nfs/dbraw/zinc/31/11/66/1284311166.db2.gz QPAZEKYGAMZVIE-INIZCTEOSA-N 2 1 359.478 0.516 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001591215441 1284349065 /nfs/dbraw/zinc/34/90/65/1284349065.db2.gz JSTZQFMBMPECIL-BLLLJJGKSA-N 2 1 355.446 0.512 20 0 FCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001591284809 1284442300 /nfs/dbraw/zinc/44/23/00/1284442300.db2.gz YBWWGDNBEOAMQA-DAYGRLMNSA-N 2 1 356.430 0.622 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)[NH+](CC)CC ZINC001719107615 1287754438 /nfs/dbraw/zinc/75/44/38/1287754438.db2.gz VJMVRBLNOVBCAQ-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP Cc1cc(NC[C@H]2CC[N@@H+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[NH+]2C)[nH+]1 ZINC001592044813 1285085197 /nfs/dbraw/zinc/08/51/97/1285085197.db2.gz JQMADCOBVZYEPG-CHWSQXEVSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@@H+]2C)[nH+]1 ZINC001592044813 1285085205 /nfs/dbraw/zinc/08/52/05/1285085205.db2.gz JQMADCOBVZYEPG-CHWSQXEVSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@H+]2C)[nH+]1 ZINC001592044813 1285085216 /nfs/dbraw/zinc/08/52/16/1285085216.db2.gz JQMADCOBVZYEPG-CHWSQXEVSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001592417584 1285341855 /nfs/dbraw/zinc/34/18/55/1285341855.db2.gz QJMPMVHEWJRXDN-SHTZXODSSA-N 2 1 366.429 0.809 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592419137 1285343696 /nfs/dbraw/zinc/34/36/96/1285343696.db2.gz FUORQTRCFDKCMQ-PLNGDYQASA-N 2 1 366.429 0.834 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719120215 1287779110 /nfs/dbraw/zinc/77/91/10/1287779110.db2.gz OWFBPTJPBLLAJY-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001604849009 1287798412 /nfs/dbraw/zinc/79/84/12/1287798412.db2.gz MOFOWXYLSVTTLC-QEJZJMRPSA-N 2 1 373.436 0.694 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001702392431 1285625854 /nfs/dbraw/zinc/62/58/54/1285625854.db2.gz VNJWLGUXPRVLPU-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001702392431 1285625861 /nfs/dbraw/zinc/62/58/61/1285625861.db2.gz VNJWLGUXPRVLPU-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1O ZINC001702392431 1285625868 /nfs/dbraw/zinc/62/58/68/1285625868.db2.gz VNJWLGUXPRVLPU-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(-c4nn[nH]n4)cc3)nn2)CC1 ZINC001592740682 1285658297 /nfs/dbraw/zinc/65/82/97/1285658297.db2.gz IUWLKFBWJWQLSS-UHFFFAOYSA-N 2 1 353.434 0.472 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742415 1285660817 /nfs/dbraw/zinc/66/08/17/1285660817.db2.gz ZRBITBPILCPUTC-XUWXXGDYSA-N 2 1 353.430 0.393 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001592785882 1285709503 /nfs/dbraw/zinc/70/95/03/1285709503.db2.gz ARNRUTNFNNSZCV-DOTOQJQBSA-N 2 1 367.457 0.750 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001592785883 1285710189 /nfs/dbraw/zinc/71/01/89/1285710189.db2.gz ARNRUTNFNNSZCV-NVXWUHKLSA-N 2 1 367.457 0.750 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001592785891 1285711007 /nfs/dbraw/zinc/71/10/07/1285711007.db2.gz BAMKMJIEIQSCLL-MAUKXSAKSA-N 2 1 353.430 0.266 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001593413113 1286135106 /nfs/dbraw/zinc/13/51/06/1286135106.db2.gz JHFHXCLYEGMPCK-SOUVJXGZSA-N 2 1 355.402 0.234 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504091 1286182594 /nfs/dbraw/zinc/18/25/94/1286182594.db2.gz FUUZMAWTJIIISA-RBSFLKMASA-N 2 1 358.446 0.823 20 0 FCADMP O[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+](Cc2ccccc2)C1 ZINC001593516740 1286189248 /nfs/dbraw/zinc/18/92/48/1286189248.db2.gz TVBXROFGBVJFIM-SFHVURJKSA-N 2 1 351.414 0.733 20 0 FCADMP O[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+](Cc2ccccc2)C1 ZINC001593516739 1286190466 /nfs/dbraw/zinc/19/04/66/1286190466.db2.gz TVBXROFGBVJFIM-GOSISDBHSA-N 2 1 351.414 0.733 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001707024583 1286433676 /nfs/dbraw/zinc/43/36/76/1286433676.db2.gz QQXNYDXDAFJXFX-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001735994599 1289114760 /nfs/dbraw/zinc/11/47/60/1289114760.db2.gz UJKSSZRTTMBKPI-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719133019 1287798866 /nfs/dbraw/zinc/79/88/66/1287798866.db2.gz DIZVQJYAFUPASH-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605086835 1287875347 /nfs/dbraw/zinc/87/53/47/1287875347.db2.gz HFKCZLCSZPMSPE-MRXNPFEDSA-N 2 1 373.461 0.138 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605086835 1287875350 /nfs/dbraw/zinc/87/53/50/1287875350.db2.gz HFKCZLCSZPMSPE-MRXNPFEDSA-N 2 1 373.461 0.138 20 0 FCADMP [NH3+]CC[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)F ZINC001606437368 1288317000 /nfs/dbraw/zinc/31/70/00/1288317000.db2.gz KZUNOABXZIYPTK-NWDGAFQWSA-N 2 1 351.361 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001724785089 1288449726 /nfs/dbraw/zinc/44/97/26/1288449726.db2.gz HEKSKGDVODCIMP-OWCLPIDISA-N 2 1 371.547 0.780 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C12CC[NH+](CC1)C2 ZINC001606745012 1288483289 /nfs/dbraw/zinc/48/32/89/1288483289.db2.gz OFYCNHGHQBBEDI-MRXNPFEDSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C12CC[NH+](CC1)C2 ZINC001606745012 1288483292 /nfs/dbraw/zinc/48/32/92/1288483292.db2.gz OFYCNHGHQBBEDI-MRXNPFEDSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001606780928 1288511670 /nfs/dbraw/zinc/51/16/70/1288511670.db2.gz RCWNTSOVBOPGDB-DOMZBBRYSA-N 2 1 356.434 0.229 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655478 1288590040 /nfs/dbraw/zinc/59/00/40/1288590040.db2.gz BKLABGGSDMMDLN-AQNXPRMDSA-N 2 1 368.481 0.994 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001734195167 1288644259 /nfs/dbraw/zinc/64/42/59/1288644259.db2.gz BZYBSUHCNDDILA-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001734195167 1288644262 /nfs/dbraw/zinc/64/42/62/1288644262.db2.gz BZYBSUHCNDDILA-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001734195167 1288644265 /nfs/dbraw/zinc/64/42/65/1288644265.db2.gz BZYBSUHCNDDILA-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](F)CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691907108 1289340659 /nfs/dbraw/zinc/34/06/59/1289340659.db2.gz GMTWXDQJIIDMTD-OUCADQQQSA-N 2 1 353.442 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C[NH2+]CCCO ZINC001692042539 1289375350 /nfs/dbraw/zinc/37/53/50/1289375350.db2.gz YOZNEMSUOHLICY-JFIYKMOQSA-N 2 1 364.490 0.589 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001692240718 1289436116 /nfs/dbraw/zinc/43/61/16/1289436116.db2.gz UTXRQPDFLKAUCR-KGLIPLIRSA-N 2 1 353.467 0.026 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001692240718 1289436118 /nfs/dbraw/zinc/43/61/18/1289436118.db2.gz UTXRQPDFLKAUCR-KGLIPLIRSA-N 2 1 353.467 0.026 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288982 1289445421 /nfs/dbraw/zinc/44/54/21/1289445421.db2.gz FFVNRPTZXHDXPB-KFWWJZLASA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288982 1289445425 /nfs/dbraw/zinc/44/54/25/1289445425.db2.gz FFVNRPTZXHDXPB-KFWWJZLASA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288982 1289445429 /nfs/dbraw/zinc/44/54/29/1289445429.db2.gz FFVNRPTZXHDXPB-KFWWJZLASA-N 2 1 367.494 0.082 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2CC[NH+]2CCSCC2)CC1 ZINC001698082802 1289523597 /nfs/dbraw/zinc/52/35/97/1289523597.db2.gz UEKBRCNBQFAKLO-UHFFFAOYSA-N 2 1 354.524 0.404 20 0 FCADMP CCn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)nn1 ZINC001699880784 1289568695 /nfs/dbraw/zinc/56/86/95/1289568695.db2.gz NZFWCZVXDYLSFP-GDBMZVCRSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)nn1 ZINC001699880784 1289568707 /nfs/dbraw/zinc/56/87/07/1289568707.db2.gz NZFWCZVXDYLSFP-GDBMZVCRSA-N 2 1 364.494 0.393 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001702145988 1289751002 /nfs/dbraw/zinc/75/10/02/1289751002.db2.gz FUFKQOJYKGHCGR-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615851943 1289763328 /nfs/dbraw/zinc/76/33/28/1289763328.db2.gz ZJBFZQODYAQMCM-QAPCUYQASA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001615851943 1289763338 /nfs/dbraw/zinc/76/33/38/1289763338.db2.gz ZJBFZQODYAQMCM-QAPCUYQASA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001615851943 1289763345 /nfs/dbraw/zinc/76/33/45/1289763345.db2.gz ZJBFZQODYAQMCM-QAPCUYQASA-N 2 1 350.511 0.999 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001739385455 1289894573 /nfs/dbraw/zinc/89/45/73/1289894573.db2.gz QECSXYXBXOWBMC-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001739385455 1289894583 /nfs/dbraw/zinc/89/45/83/1289894583.db2.gz QECSXYXBXOWBMC-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001739385455 1289894589 /nfs/dbraw/zinc/89/45/89/1289894589.db2.gz QECSXYXBXOWBMC-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001739589290 1290206413 /nfs/dbraw/zinc/20/64/13/1290206413.db2.gz PFYXQSSMKTUPAB-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCF)C2)CC[N@H+]1C ZINC001752926125 1290615606 /nfs/dbraw/zinc/61/56/06/1290615606.db2.gz JSXKCXPTUKRZQO-OWCLPIDISA-N 2 1 356.486 0.631 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001753049567 1290618984 /nfs/dbraw/zinc/61/89/84/1290618984.db2.gz IJQMXLSRTFVCKQ-QWHCGFSZSA-N 2 1 366.428 0.833 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCCNC(=O)C(F)(F)F)CC[NH+]1C ZINC001753049567 1290618985 /nfs/dbraw/zinc/61/89/85/1290618985.db2.gz IJQMXLSRTFVCKQ-QWHCGFSZSA-N 2 1 366.428 0.833 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCCNC(=O)C(F)(F)F)CC[NH+]1C ZINC001753049567 1290618990 /nfs/dbraw/zinc/61/89/90/1290618990.db2.gz IJQMXLSRTFVCKQ-QWHCGFSZSA-N 2 1 366.428 0.833 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001754882351 1290633887 /nfs/dbraw/zinc/63/38/87/1290633887.db2.gz AHJSBXDMNYJEMJ-RHSMWYFYSA-N 2 1 362.474 0.036 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001754864458 1290635382 /nfs/dbraw/zinc/63/53/82/1290635382.db2.gz BOJONYIPXMHOJD-NRSFXHEJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864458 1290635390 /nfs/dbraw/zinc/63/53/90/1290635390.db2.gz BOJONYIPXMHOJD-NRSFXHEJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864458 1290635402 /nfs/dbraw/zinc/63/54/02/1290635402.db2.gz BOJONYIPXMHOJD-NRSFXHEJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001754980823 1290638863 /nfs/dbraw/zinc/63/88/63/1290638863.db2.gz SPRLJOFQPLSVKO-BZUAXINKSA-N 2 1 371.547 0.780 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001757229840 1290747218 /nfs/dbraw/zinc/74/72/18/1290747218.db2.gz OCEHVLXWQGHZRG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001757229840 1290747220 /nfs/dbraw/zinc/74/72/20/1290747220.db2.gz OCEHVLXWQGHZRG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001757229840 1290747223 /nfs/dbraw/zinc/74/72/23/1290747223.db2.gz OCEHVLXWQGHZRG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001757229840 1290747227 /nfs/dbraw/zinc/74/72/27/1290747227.db2.gz OCEHVLXWQGHZRG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001757363906 1290761165 /nfs/dbraw/zinc/76/11/65/1290761165.db2.gz QQGZEYDMRJYARX-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001757470566 1290773793 /nfs/dbraw/zinc/77/37/93/1290773793.db2.gz YDUUMAQYAPMPDT-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001757470566 1290773797 /nfs/dbraw/zinc/77/37/97/1290773797.db2.gz YDUUMAQYAPMPDT-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001757470566 1290773800 /nfs/dbraw/zinc/77/38/00/1290773800.db2.gz YDUUMAQYAPMPDT-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC001643312025 1290873751 /nfs/dbraw/zinc/87/37/51/1290873751.db2.gz DIHHBNNGAUABCU-MRXNPFEDSA-N 2 1 370.538 0.602 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311851 1291405912 /nfs/dbraw/zinc/40/59/12/1291405912.db2.gz BFFKDRIUUKOIST-MSOLQXFVSA-N 2 1 373.501 0.431 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001655650330 1291480589 /nfs/dbraw/zinc/48/05/89/1291480589.db2.gz IAYHQRXPNCWIFO-IAGOWNOFSA-N 2 1 360.506 0.965 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001656839697 1291566938 /nfs/dbraw/zinc/56/69/38/1291566938.db2.gz JTLSNHLJAYGUBT-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001666552231 1291913940 /nfs/dbraw/zinc/91/39/40/1291913940.db2.gz DBAMGUHWRLNJNF-JHJVBQTASA-N 2 1 366.428 0.689 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782426 1292281943 /nfs/dbraw/zinc/28/19/43/1292281943.db2.gz JBQLVXNPQZWOPO-IAGOWNOFSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782426 1292281951 /nfs/dbraw/zinc/28/19/51/1292281951.db2.gz JBQLVXNPQZWOPO-IAGOWNOFSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782426 1292281954 /nfs/dbraw/zinc/28/19/54/1292281954.db2.gz JBQLVXNPQZWOPO-IAGOWNOFSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001688585972 1294511558 /nfs/dbraw/zinc/51/15/58/1294511558.db2.gz FPVCKHVUJXDNAL-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C[NH+](C)CC(C)(C)C)C2)CC[N@H+]1C ZINC001688684842 1294521038 /nfs/dbraw/zinc/52/10/38/1294521038.db2.gz DDDUHJGUILOXHI-GDBMZVCRSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C2)CC[NH+]1C ZINC001688684842 1294521040 /nfs/dbraw/zinc/52/10/40/1294521040.db2.gz DDDUHJGUILOXHI-GDBMZVCRSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C2)CC[NH+]1C ZINC001688684842 1294521044 /nfs/dbraw/zinc/52/10/44/1294521044.db2.gz DDDUHJGUILOXHI-GDBMZVCRSA-N 2 1 352.523 0.879 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC001689306244 1294734165 /nfs/dbraw/zinc/73/41/65/1294734165.db2.gz TYIZAKZBBTZJED-CABCVRRESA-N 2 1 371.507 0.052 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC001689306244 1294734175 /nfs/dbraw/zinc/73/41/75/1294734175.db2.gz TYIZAKZBBTZJED-CABCVRRESA-N 2 1 371.507 0.052 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C)C1CC1 ZINC001689328453 1294753484 /nfs/dbraw/zinc/75/34/84/1294753484.db2.gz SFQRIHDLSKTSAX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C)C1CC1 ZINC001689328453 1294753494 /nfs/dbraw/zinc/75/34/94/1294753494.db2.gz SFQRIHDLSKTSAX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C)C1CC1 ZINC001689328453 1294753504 /nfs/dbraw/zinc/75/35/04/1294753504.db2.gz SFQRIHDLSKTSAX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C)C1CC1 ZINC001689328453 1294753513 /nfs/dbraw/zinc/75/35/13/1294753513.db2.gz SFQRIHDLSKTSAX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(N)=O)N1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690060488 1294852904 /nfs/dbraw/zinc/85/29/04/1294852904.db2.gz YMWGEWCXPGGZFD-GVDBMIGSSA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@H](C(N)=O)N1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001690060488 1294852911 /nfs/dbraw/zinc/85/29/11/1294852911.db2.gz YMWGEWCXPGGZFD-GVDBMIGSSA-N 2 1 367.538 0.105 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690338016 1294864887 /nfs/dbraw/zinc/86/48/87/1294864887.db2.gz IKKFUFQWJSSRMZ-LVQVYYBASA-N 2 1 359.536 0.777 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1nncs1 ZINC001690842892 1294887120 /nfs/dbraw/zinc/88/71/20/1294887120.db2.gz GIJMHLPCMCUZPT-IJLUTSLNSA-N 2 1 354.480 0.301 20 0 FCADMP c1ncc(O[C@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164742296 720640618 /nfs/dbraw/zinc/64/06/18/720640618.db2.gz MOVQJLKBECFHLX-GJZGRUSLSA-N 2 1 353.430 0.254 20 0 FCADMP Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164743429 720807266 /nfs/dbraw/zinc/80/72/66/720807266.db2.gz FZDKHBLXXABCSY-CVEARBPZSA-N 2 1 367.457 0.604 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164847051 720832990 /nfs/dbraw/zinc/83/29/90/720832990.db2.gz HVXJAKHUYZJNGU-MAUKXSAKSA-N 2 1 361.490 0.338 20 0 FCADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@H]2C1 ZINC001164852064 720857647 /nfs/dbraw/zinc/85/76/47/720857647.db2.gz CAEVCRWTYKYULF-ZFWWWQNUSA-N 2 1 362.430 0.586 20 0 FCADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@H]2C1 ZINC001164852064 720857651 /nfs/dbraw/zinc/85/76/51/720857651.db2.gz CAEVCRWTYKYULF-ZFWWWQNUSA-N 2 1 362.430 0.586 20 0 FCADMP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc1N ZINC001164875490 721283495 /nfs/dbraw/zinc/28/34/95/721283495.db2.gz WLQWFLKKBJJBBG-UHFFFAOYSA-N 2 1 361.490 0.979 20 0 FCADMP CC[NH+](CC)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067478854 837461216 /nfs/dbraw/zinc/46/12/16/837461216.db2.gz BOYQYODHFRJQBC-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CC[NH+](CC)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067478854 837461224 /nfs/dbraw/zinc/46/12/24/837461224.db2.gz BOYQYODHFRJQBC-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C2CC2)[NH+](C)C)CC[N@H+]1C ZINC001067536393 837465824 /nfs/dbraw/zinc/46/58/24/837465824.db2.gz WRLRKUFDMNCXNI-OIISXLGYSA-N 2 1 352.523 0.974 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070046634 837607053 /nfs/dbraw/zinc/60/70/53/837607053.db2.gz HKFMQQPWOMQCLC-CVEARBPZSA-N 2 1 352.458 0.711 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001070807455 837682480 /nfs/dbraw/zinc/68/24/80/837682480.db2.gz VZTXVUGYYQLSRY-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001070807455 837682485 /nfs/dbraw/zinc/68/24/85/837682485.db2.gz VZTXVUGYYQLSRY-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001070807455 837682493 /nfs/dbraw/zinc/68/24/93/837682493.db2.gz VZTXVUGYYQLSRY-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964755 837705911 /nfs/dbraw/zinc/70/59/11/837705911.db2.gz YBUHWCLZQWOYIG-ARFHVFGLSA-N 2 1 356.486 0.725 20 0 FCADMP C[C@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964755 837705918 /nfs/dbraw/zinc/70/59/18/837705918.db2.gz YBUHWCLZQWOYIG-ARFHVFGLSA-N 2 1 356.486 0.725 20 0 FCADMP C[C@H](F)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964755 837705922 /nfs/dbraw/zinc/70/59/22/837705922.db2.gz YBUHWCLZQWOYIG-ARFHVFGLSA-N 2 1 356.486 0.725 20 0 FCADMP C[C@H](F)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964755 837705927 /nfs/dbraw/zinc/70/59/27/837705927.db2.gz YBUHWCLZQWOYIG-ARFHVFGLSA-N 2 1 356.486 0.725 20 0 FCADMP CCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100437920 844053214 /nfs/dbraw/zinc/05/32/14/844053214.db2.gz HHDRXLZKJMPHAW-PRLABOORSA-N 2 1 354.495 0.106 20 0 FCADMP CCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100437920 844053223 /nfs/dbraw/zinc/05/32/23/844053223.db2.gz HHDRXLZKJMPHAW-PRLABOORSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379656526 836050082 /nfs/dbraw/zinc/05/00/82/836050082.db2.gz PKHXBOWEZHQEAZ-NVXWUHKLSA-N 2 1 352.504 0.779 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101257868 844122305 /nfs/dbraw/zinc/12/23/05/844122305.db2.gz PQSYTNADCVVADO-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257868 844122309 /nfs/dbraw/zinc/12/23/09/844122309.db2.gz PQSYTNADCVVADO-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257868 844122312 /nfs/dbraw/zinc/12/23/12/844122312.db2.gz PQSYTNADCVVADO-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000745824653 836154224 /nfs/dbraw/zinc/15/42/24/836154224.db2.gz KPISLESVCLWNHH-QGZVFWFLSA-N 2 1 356.511 0.897 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345131 844152903 /nfs/dbraw/zinc/15/29/03/844152903.db2.gz VKNQGUHDZJOWSP-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344898 844152933 /nfs/dbraw/zinc/15/29/33/844152933.db2.gz JYXPXGZZSASRGJ-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@]2(C)C1 ZINC001101351829 844154591 /nfs/dbraw/zinc/15/45/91/844154591.db2.gz NRGJAHXUMGTGRU-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363985 844159846 /nfs/dbraw/zinc/15/98/46/844159846.db2.gz JDGWQPWZDYUIQY-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363985 844159853 /nfs/dbraw/zinc/15/98/53/844159853.db2.gz JDGWQPWZDYUIQY-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363985 844159861 /nfs/dbraw/zinc/15/98/61/844159861.db2.gz JDGWQPWZDYUIQY-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418136 844179882 /nfs/dbraw/zinc/17/98/82/844179882.db2.gz BEAVLNRVSKRPMD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418136 844179884 /nfs/dbraw/zinc/17/98/84/844179884.db2.gz BEAVLNRVSKRPMD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418136 844179886 /nfs/dbraw/zinc/17/98/86/844179886.db2.gz BEAVLNRVSKRPMD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@]2(C)C1 ZINC001101432243 844184391 /nfs/dbraw/zinc/18/43/91/844184391.db2.gz ISAIKEDAMBQNET-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432652 844185429 /nfs/dbraw/zinc/18/54/29/844185429.db2.gz WXBXNXHFQJDVDP-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101443946 844188660 /nfs/dbraw/zinc/18/86/60/844188660.db2.gz QZNIFVBHTQRHQR-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101443946 844188669 /nfs/dbraw/zinc/18/86/69/844188669.db2.gz QZNIFVBHTQRHQR-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101443946 844188673 /nfs/dbraw/zinc/18/86/73/844188673.db2.gz QZNIFVBHTQRHQR-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001061621996 836701450 /nfs/dbraw/zinc/70/14/50/836701450.db2.gz JZFICWHOOJHFGI-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061651188 836703922 /nfs/dbraw/zinc/70/39/22/836703922.db2.gz LFDGTXLHBZBPTR-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061651188 836703931 /nfs/dbraw/zinc/70/39/31/836703931.db2.gz LFDGTXLHBZBPTR-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061651188 836703937 /nfs/dbraw/zinc/70/39/37/836703937.db2.gz LFDGTXLHBZBPTR-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461610 844192525 /nfs/dbraw/zinc/19/25/25/844192525.db2.gz KNWPWRWEAJSBRM-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC2)CC[NH+]1C ZINC001063223670 836758303 /nfs/dbraw/zinc/75/83/03/836758303.db2.gz SMNIJRUQRZNIBN-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC2)CC[N@@H+]1C ZINC001063223670 836758309 /nfs/dbraw/zinc/75/83/09/836758309.db2.gz SMNIJRUQRZNIBN-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC2)CC[N@H+]1C ZINC001063223670 836758316 /nfs/dbraw/zinc/75/83/16/836758316.db2.gz SMNIJRUQRZNIBN-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCC1 ZINC001063223253 836758909 /nfs/dbraw/zinc/75/89/09/836758909.db2.gz AIRVWPMMYZQFES-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001063223253 836758916 /nfs/dbraw/zinc/75/89/16/836758916.db2.gz AIRVWPMMYZQFES-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001063223253 836758923 /nfs/dbraw/zinc/75/89/23/836758923.db2.gz AIRVWPMMYZQFES-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC2)CC[NH+]1C ZINC001063223252 836759092 /nfs/dbraw/zinc/75/90/92/836759092.db2.gz AIRVWPMMYZQFES-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC2)CC[N@@H+]1C ZINC001063223252 836759093 /nfs/dbraw/zinc/75/90/93/836759093.db2.gz AIRVWPMMYZQFES-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC2)CC[N@H+]1C ZINC001063223252 836759099 /nfs/dbraw/zinc/75/90/99/836759099.db2.gz AIRVWPMMYZQFES-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063346142 836764275 /nfs/dbraw/zinc/76/42/75/836764275.db2.gz KJTLZFFDXYOJAA-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063346142 836764285 /nfs/dbraw/zinc/76/42/85/836764285.db2.gz KJTLZFFDXYOJAA-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063346142 836764294 /nfs/dbraw/zinc/76/42/94/836764294.db2.gz KJTLZFFDXYOJAA-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063346142 836764301 /nfs/dbraw/zinc/76/43/01/836764301.db2.gz KJTLZFFDXYOJAA-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065208029 836822029 /nfs/dbraw/zinc/82/20/29/836822029.db2.gz ZBSKUUUUASMGDX-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487257 844207433 /nfs/dbraw/zinc/20/74/33/844207433.db2.gz UXGXFJOEGMJYPM-FCEWJHQRSA-N 2 1 350.507 0.907 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574462 838018973 /nfs/dbraw/zinc/01/89/73/838018973.db2.gz HPTPZWLBXSLHLQ-HRCADAONSA-N 2 1 355.504 0.050 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574462 838018979 /nfs/dbraw/zinc/01/89/79/838018979.db2.gz HPTPZWLBXSLHLQ-HRCADAONSA-N 2 1 355.504 0.050 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844177 844292030 /nfs/dbraw/zinc/29/20/30/844292030.db2.gz OIONLQSTCYZLOI-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844177 844292038 /nfs/dbraw/zinc/29/20/38/844292038.db2.gz OIONLQSTCYZLOI-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101844177 844292047 /nfs/dbraw/zinc/29/20/47/844292047.db2.gz OIONLQSTCYZLOI-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101844177 844292056 /nfs/dbraw/zinc/29/20/56/844292056.db2.gz OIONLQSTCYZLOI-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001076972246 838189401 /nfs/dbraw/zinc/18/94/01/838189401.db2.gz JZCMUCDMNILEJF-JJXSEGSLSA-N 2 1 356.511 0.303 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001076972246 838189403 /nfs/dbraw/zinc/18/94/03/838189403.db2.gz JZCMUCDMNILEJF-JJXSEGSLSA-N 2 1 356.511 0.303 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999094 838203418 /nfs/dbraw/zinc/20/34/18/838203418.db2.gz DJFTWGNLMLUQGL-BRWVUGGUSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999094 838203427 /nfs/dbraw/zinc/20/34/27/838203427.db2.gz DJFTWGNLMLUQGL-BRWVUGGUSA-N 2 1 353.507 0.981 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976189 844358015 /nfs/dbraw/zinc/35/80/15/844358015.db2.gz NYYAEEAEIKWBPB-KBAYOESNSA-N 2 1 353.507 0.675 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077129128 838754764 /nfs/dbraw/zinc/75/47/64/838754764.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077129128 838754770 /nfs/dbraw/zinc/75/47/70/838754770.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001077129128 838754779 /nfs/dbraw/zinc/75/47/79/838754779.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299580 838887444 /nfs/dbraw/zinc/88/74/44/838887444.db2.gz IKHHADUUWYASBH-BZUAXINKSA-N 2 1 351.491 0.591 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299580 838887456 /nfs/dbraw/zinc/88/74/56/838887456.db2.gz IKHHADUUWYASBH-BZUAXINKSA-N 2 1 351.491 0.591 20 0 FCADMP C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077395907 838947382 /nfs/dbraw/zinc/94/73/82/838947382.db2.gz ZIVYKCSOTPBUAA-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077395907 838947388 /nfs/dbraw/zinc/94/73/88/838947388.db2.gz ZIVYKCSOTPBUAA-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418456 838958077 /nfs/dbraw/zinc/95/80/77/838958077.db2.gz OXUPGZGWHMSIKX-ZRUZRRJWSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418456 838958082 /nfs/dbraw/zinc/95/80/82/838958082.db2.gz OXUPGZGWHMSIKX-ZRUZRRJWSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418456 838958089 /nfs/dbraw/zinc/95/80/89/838958089.db2.gz OXUPGZGWHMSIKX-ZRUZRRJWSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418094 838958364 /nfs/dbraw/zinc/95/83/64/838958364.db2.gz IOWCNNMLFGTGBR-CBYDULDESA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418094 838958375 /nfs/dbraw/zinc/95/83/75/838958375.db2.gz IOWCNNMLFGTGBR-CBYDULDESA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418094 838958386 /nfs/dbraw/zinc/95/83/86/838958386.db2.gz IOWCNNMLFGTGBR-CBYDULDESA-N 2 1 351.491 0.447 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553164 839029930 /nfs/dbraw/zinc/02/99/30/839029930.db2.gz DKVRTOZFGOVNHT-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553164 839029940 /nfs/dbraw/zinc/02/99/40/839029940.db2.gz DKVRTOZFGOVNHT-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553164 839029952 /nfs/dbraw/zinc/02/99/52/839029952.db2.gz DKVRTOZFGOVNHT-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566853 839041162 /nfs/dbraw/zinc/04/11/62/839041162.db2.gz QNNINYMOVQHTQU-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566853 839041172 /nfs/dbraw/zinc/04/11/72/839041172.db2.gz QNNINYMOVQHTQU-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566853 839041185 /nfs/dbraw/zinc/04/11/85/839041185.db2.gz QNNINYMOVQHTQU-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2O)C1 ZINC001077566853 839041195 /nfs/dbraw/zinc/04/11/95/839041195.db2.gz QNNINYMOVQHTQU-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045052 844395040 /nfs/dbraw/zinc/39/50/40/844395040.db2.gz PSAZGUWVZGRIJX-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051615 844396582 /nfs/dbraw/zinc/39/65/82/844396582.db2.gz AMTLDYLXVZSWAS-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051615 844396593 /nfs/dbraw/zinc/39/65/93/844396593.db2.gz AMTLDYLXVZSWAS-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051615 844396602 /nfs/dbraw/zinc/39/66/02/844396602.db2.gz AMTLDYLXVZSWAS-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077778281 839152280 /nfs/dbraw/zinc/15/22/80/839152280.db2.gz AOMIUOHHPSAAEZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102103389 844416658 /nfs/dbraw/zinc/41/66/58/844416658.db2.gz QQYDCTGLSCFMKS-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102103389 844416664 /nfs/dbraw/zinc/41/66/64/844416664.db2.gz QQYDCTGLSCFMKS-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102103389 844416669 /nfs/dbraw/zinc/41/66/69/844416669.db2.gz QQYDCTGLSCFMKS-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013243 839293153 /nfs/dbraw/zinc/29/31/53/839293153.db2.gz YCXQQIFDSBNKBF-BRWVUGGUSA-N 2 1 351.491 0.185 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001078403555 839456735 /nfs/dbraw/zinc/45/67/35/839456735.db2.gz BQAWMMRHTMLQGA-OWCLPIDISA-N 2 1 351.451 0.507 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001078403555 839456741 /nfs/dbraw/zinc/45/67/41/839456741.db2.gz BQAWMMRHTMLQGA-OWCLPIDISA-N 2 1 351.451 0.507 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102188610 844439081 /nfs/dbraw/zinc/43/90/81/844439081.db2.gz BVLPGYWSMVENDB-QGPMSJSTSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215288 844447442 /nfs/dbraw/zinc/44/74/42/844447442.db2.gz ORDJZCWYFJWHEC-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079686837 839575291 /nfs/dbraw/zinc/57/52/91/839575291.db2.gz FLIUEPBDIIADFZ-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079686837 839575300 /nfs/dbraw/zinc/57/53/00/839575300.db2.gz FLIUEPBDIIADFZ-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079686837 839575309 /nfs/dbraw/zinc/57/53/09/839575309.db2.gz FLIUEPBDIIADFZ-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698068 839576263 /nfs/dbraw/zinc/57/62/63/839576263.db2.gz IPQWGIRJPKOSQF-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698068 839576273 /nfs/dbraw/zinc/57/62/73/839576273.db2.gz IPQWGIRJPKOSQF-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079946844 839628962 /nfs/dbraw/zinc/62/89/62/839628962.db2.gz CZIJVERAXSORTE-XYPHTWIQSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290500 844460224 /nfs/dbraw/zinc/46/02/24/844460224.db2.gz HGBJYROYABNVKF-HUUCEWRRSA-N 2 1 351.495 0.038 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255449 839691498 /nfs/dbraw/zinc/69/14/98/839691498.db2.gz YEYJWOXUVDKRKP-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255449 839691504 /nfs/dbraw/zinc/69/15/04/839691504.db2.gz YEYJWOXUVDKRKP-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382525 839714174 /nfs/dbraw/zinc/71/41/74/839714174.db2.gz PGVPSNLJLOFSDK-HLLBOEOZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382525 839714182 /nfs/dbraw/zinc/71/41/82/839714182.db2.gz PGVPSNLJLOFSDK-HLLBOEOZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441369 839724268 /nfs/dbraw/zinc/72/42/68/839724268.db2.gz KHRYLHIGYJMKRD-LBTNJELSSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441369 839724279 /nfs/dbraw/zinc/72/42/79/839724279.db2.gz KHRYLHIGYJMKRD-LBTNJELSSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080441369 839724287 /nfs/dbraw/zinc/72/42/87/839724287.db2.gz KHRYLHIGYJMKRD-LBTNJELSSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080441369 839724295 /nfs/dbraw/zinc/72/42/95/839724295.db2.gz KHRYLHIGYJMKRD-LBTNJELSSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443883 839725866 /nfs/dbraw/zinc/72/58/66/839725866.db2.gz FEKIPQOYCJNXKP-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080443883 839725874 /nfs/dbraw/zinc/72/58/74/839725874.db2.gz FEKIPQOYCJNXKP-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080443883 839725885 /nfs/dbraw/zinc/72/58/85/839725885.db2.gz FEKIPQOYCJNXKP-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080446563 839726818 /nfs/dbraw/zinc/72/68/18/839726818.db2.gz OXTGURNEDFLRQV-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080446563 839726827 /nfs/dbraw/zinc/72/68/27/839726827.db2.gz OXTGURNEDFLRQV-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080446563 839726835 /nfs/dbraw/zinc/72/68/35/839726835.db2.gz OXTGURNEDFLRQV-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080446563 839726841 /nfs/dbraw/zinc/72/68/41/839726841.db2.gz OXTGURNEDFLRQV-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754688 839790950 /nfs/dbraw/zinc/79/09/50/839790950.db2.gz VMGGPPSPULSVKK-RHSMWYFYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754688 839790958 /nfs/dbraw/zinc/79/09/58/839790958.db2.gz VMGGPPSPULSVKK-RHSMWYFYSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369965 844477514 /nfs/dbraw/zinc/47/75/14/844477514.db2.gz MLCJTLPRRKMSGW-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369965 844477517 /nfs/dbraw/zinc/47/75/17/844477517.db2.gz MLCJTLPRRKMSGW-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369965 844477519 /nfs/dbraw/zinc/47/75/19/844477519.db2.gz MLCJTLPRRKMSGW-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373649 844479567 /nfs/dbraw/zinc/47/95/67/844479567.db2.gz FLYPXCLGAMVURH-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373649 844479572 /nfs/dbraw/zinc/47/95/72/844479572.db2.gz FLYPXCLGAMVURH-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373649 844479577 /nfs/dbraw/zinc/47/95/77/844479577.db2.gz FLYPXCLGAMVURH-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102377158 844480471 /nfs/dbraw/zinc/48/04/71/844480471.db2.gz RANIBVDDQWBFRX-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102377158 844480477 /nfs/dbraw/zinc/48/04/77/844480477.db2.gz RANIBVDDQWBFRX-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102377158 844480480 /nfs/dbraw/zinc/48/04/80/844480480.db2.gz RANIBVDDQWBFRX-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081683872 840000273 /nfs/dbraw/zinc/00/02/73/840000273.db2.gz SLEGPJRLIJBMEN-TVFCKZIOSA-N 2 1 353.507 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2OC)CC[N@H+]1C ZINC001081699147 840002537 /nfs/dbraw/zinc/00/25/37/840002537.db2.gz GCGJNHHFVLYSMX-BSDSXHPESA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2OC)CC[NH+]1C ZINC001081699147 840002549 /nfs/dbraw/zinc/00/25/49/840002549.db2.gz GCGJNHHFVLYSMX-BSDSXHPESA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2OC)CC[NH+]1C ZINC001081699147 840002559 /nfs/dbraw/zinc/00/25/59/840002559.db2.gz GCGJNHHFVLYSMX-BSDSXHPESA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949180 840119678 /nfs/dbraw/zinc/11/96/78/840119678.db2.gz CCNZEDAVYBZMIA-BRWVUGGUSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949180 840119685 /nfs/dbraw/zinc/11/96/85/840119685.db2.gz CCNZEDAVYBZMIA-BRWVUGGUSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469233 844511211 /nfs/dbraw/zinc/51/12/11/844511211.db2.gz XAJZARRLRDNFQI-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469233 844511218 /nfs/dbraw/zinc/51/12/18/844511218.db2.gz XAJZARRLRDNFQI-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001082104727 840188832 /nfs/dbraw/zinc/18/88/32/840188832.db2.gz WSLZXQSPMUOUMF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102495989 844531130 /nfs/dbraw/zinc/53/11/30/844531130.db2.gz XMOHHTOMXURWDE-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102495989 844531134 /nfs/dbraw/zinc/53/11/34/844531134.db2.gz XMOHHTOMXURWDE-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102495989 844531138 /nfs/dbraw/zinc/53/11/38/844531138.db2.gz XMOHHTOMXURWDE-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102497575 844531211 /nfs/dbraw/zinc/53/12/11/844531211.db2.gz ZFOLHXXLQUTILA-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102497575 844531216 /nfs/dbraw/zinc/53/12/16/844531216.db2.gz ZFOLHXXLQUTILA-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102497575 844531222 /nfs/dbraw/zinc/53/12/22/844531222.db2.gz ZFOLHXXLQUTILA-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328806 840313833 /nfs/dbraw/zinc/31/38/33/840313833.db2.gz MMIXNBLDHWQLBD-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328781 840314593 /nfs/dbraw/zinc/31/45/93/840314593.db2.gz KUUXDVHAZVOLSI-IAGOWNOFSA-N 2 1 351.491 0.714 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2OC)o1 ZINC001082392365 840383831 /nfs/dbraw/zinc/38/38/31/840383831.db2.gz FISGQDBCYMPUFS-FRFSOERESA-N 2 1 353.463 0.931 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082520595 840447042 /nfs/dbraw/zinc/44/70/42/840447042.db2.gz HAOMQTTXXWHYBY-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511455 844542287 /nfs/dbraw/zinc/54/22/87/844542287.db2.gz XYRIYHCOTFTVHD-HUUCEWRRSA-N 2 1 352.454 0.983 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511083 844542419 /nfs/dbraw/zinc/54/24/19/844542419.db2.gz IIQRTXMFBIOEJR-HZPDHXFCSA-N 2 1 356.511 0.116 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082596429 840481889 /nfs/dbraw/zinc/48/18/89/840481889.db2.gz LDCKTTKIHNDIJK-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513238 844544512 /nfs/dbraw/zinc/54/45/12/844544512.db2.gz AZTRVQHPZWHGBM-ZIAGYGMSSA-N 2 1 351.438 0.530 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514553 844546137 /nfs/dbraw/zinc/54/61/37/844546137.db2.gz AVVGTILPDCUBFO-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514553 844546143 /nfs/dbraw/zinc/54/61/43/844546143.db2.gz AVVGTILPDCUBFO-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514553 844546149 /nfs/dbraw/zinc/54/61/49/844546149.db2.gz AVVGTILPDCUBFO-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082740945 840543013 /nfs/dbraw/zinc/54/30/13/840543013.db2.gz LCWZKNPTTUQZRM-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082740945 840543022 /nfs/dbraw/zinc/54/30/22/840543022.db2.gz LCWZKNPTTUQZRM-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082861447 840586940 /nfs/dbraw/zinc/58/69/40/840586940.db2.gz BALKIKXXCFKLFE-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933775 840612800 /nfs/dbraw/zinc/61/28/00/840612800.db2.gz JIXZXRBIQCPBGN-XYPHTWIQSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933775 840612807 /nfs/dbraw/zinc/61/28/07/840612807.db2.gz JIXZXRBIQCPBGN-XYPHTWIQSA-N 2 1 350.463 0.894 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082943724 840617222 /nfs/dbraw/zinc/61/72/22/840617222.db2.gz YRVWPERDQLBWIS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385144 840955378 /nfs/dbraw/zinc/95/53/78/840955378.db2.gz FIRKACRGKGFUIF-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385144 840955385 /nfs/dbraw/zinc/95/53/85/840955385.db2.gz FIRKACRGKGFUIF-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385144 840955390 /nfs/dbraw/zinc/95/53/90/840955390.db2.gz FIRKACRGKGFUIF-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385144 840955399 /nfs/dbraw/zinc/95/53/99/840955399.db2.gz FIRKACRGKGFUIF-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102601271 844591919 /nfs/dbraw/zinc/59/19/19/844591919.db2.gz UZBJSWYDTRDBFD-NVXWUHKLSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102601271 844591925 /nfs/dbraw/zinc/59/19/25/844591925.db2.gz UZBJSWYDTRDBFD-NVXWUHKLSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102601271 844591935 /nfs/dbraw/zinc/59/19/35/844591935.db2.gz UZBJSWYDTRDBFD-NVXWUHKLSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460338 841027331 /nfs/dbraw/zinc/02/73/31/841027331.db2.gz BYTXYCTVXMDCJT-BBWFWOEESA-N 2 1 353.507 0.981 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cs1 ZINC001083465365 841036664 /nfs/dbraw/zinc/03/66/64/841036664.db2.gz BAOYVOMXIWMISV-BBWFWOEESA-N 2 1 364.515 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cs1 ZINC001083465365 841036669 /nfs/dbraw/zinc/03/66/69/841036669.db2.gz BAOYVOMXIWMISV-BBWFWOEESA-N 2 1 364.515 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612924 844601389 /nfs/dbraw/zinc/60/13/89/844601389.db2.gz DADYKSAAHVJCFH-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612601 844601472 /nfs/dbraw/zinc/60/14/72/844601472.db2.gz OWNSUWADCRROHI-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602030 841221424 /nfs/dbraw/zinc/22/14/24/841221424.db2.gz AHXTUYIMQWBERU-BBWFWOEESA-N 2 1 351.491 0.593 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602179 841221599 /nfs/dbraw/zinc/22/15/99/841221599.db2.gz IKHHADUUWYASBH-OAGGEKHMSA-N 2 1 351.491 0.591 20 0 FCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602179 841221604 /nfs/dbraw/zinc/22/16/04/841221604.db2.gz IKHHADUUWYASBH-OAGGEKHMSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654973 841281581 /nfs/dbraw/zinc/28/15/81/841281581.db2.gz OXUPGZGWHMSIKX-AOZDQCPJSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654973 841281588 /nfs/dbraw/zinc/28/15/88/841281588.db2.gz OXUPGZGWHMSIKX-AOZDQCPJSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654973 841281595 /nfs/dbraw/zinc/28/15/95/841281595.db2.gz OXUPGZGWHMSIKX-AOZDQCPJSA-N 2 1 351.491 0.447 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782809 841432949 /nfs/dbraw/zinc/43/29/49/841432949.db2.gz MQNVEGHIHHEJRS-BACDZXNISA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782809 841432939 /nfs/dbraw/zinc/43/29/39/841432939.db2.gz MQNVEGHIHHEJRS-BACDZXNISA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782809 841432955 /nfs/dbraw/zinc/43/29/55/841432955.db2.gz MQNVEGHIHHEJRS-BACDZXNISA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083833157 841479223 /nfs/dbraw/zinc/47/92/23/841479223.db2.gz LPYLMYXNHNZUSF-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1)OC ZINC001083937314 841581055 /nfs/dbraw/zinc/58/10/55/841581055.db2.gz XAOWWLXYVPEJNI-KSZLIROESA-N 2 1 353.507 0.695 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955138 841603095 /nfs/dbraw/zinc/60/30/95/841603095.db2.gz YDVOIKUIPLAFLA-IMJJTQAJSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955138 841603097 /nfs/dbraw/zinc/60/30/97/841603097.db2.gz YDVOIKUIPLAFLA-IMJJTQAJSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955138 841603098 /nfs/dbraw/zinc/60/30/98/841603098.db2.gz YDVOIKUIPLAFLA-IMJJTQAJSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955138 841603100 /nfs/dbraw/zinc/60/31/00/841603100.db2.gz YDVOIKUIPLAFLA-IMJJTQAJSA-N 2 1 350.463 0.549 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053748 841667567 /nfs/dbraw/zinc/66/75/67/841667567.db2.gz JQLHVZQLRZFQKP-XKQJLSEDSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053748 841667575 /nfs/dbraw/zinc/66/75/75/841667575.db2.gz JQLHVZQLRZFQKP-XKQJLSEDSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053748 841667586 /nfs/dbraw/zinc/66/75/86/841667586.db2.gz JQLHVZQLRZFQKP-XKQJLSEDSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053748 841667594 /nfs/dbraw/zinc/66/75/94/841667594.db2.gz JQLHVZQLRZFQKP-XKQJLSEDSA-N 2 1 353.413 0.620 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877603 861240943 /nfs/dbraw/zinc/24/09/43/861240943.db2.gz DJQZXSLVHQMGKL-WMZOPIPTSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877603 861240958 /nfs/dbraw/zinc/24/09/58/861240958.db2.gz DJQZXSLVHQMGKL-WMZOPIPTSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877603 861240971 /nfs/dbraw/zinc/24/09/71/861240971.db2.gz DJQZXSLVHQMGKL-WMZOPIPTSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877603 861240984 /nfs/dbraw/zinc/24/09/84/861240984.db2.gz DJQZXSLVHQMGKL-WMZOPIPTSA-N 2 1 355.479 0.252 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275878756 861244312 /nfs/dbraw/zinc/24/43/12/861244312.db2.gz LKRIGNCMBQILGY-IBGZPJMESA-N 2 1 351.491 0.668 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831336 841924432 /nfs/dbraw/zinc/92/44/32/841924432.db2.gz HWTPZZNNCFNXSS-OWCLPIDISA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831336 841924439 /nfs/dbraw/zinc/92/44/39/841924439.db2.gz HWTPZZNNCFNXSS-OWCLPIDISA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831336 841924444 /nfs/dbraw/zinc/92/44/44/841924444.db2.gz HWTPZZNNCFNXSS-OWCLPIDISA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831336 841924453 /nfs/dbraw/zinc/92/44/53/841924453.db2.gz HWTPZZNNCFNXSS-OWCLPIDISA-N 2 1 364.515 0.703 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085224802 842051242 /nfs/dbraw/zinc/05/12/42/842051242.db2.gz WICGNKGYGBGDNO-OAGGEKHMSA-N 2 1 352.479 0.132 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085422935 842099030 /nfs/dbraw/zinc/09/90/30/842099030.db2.gz OOVNICIVMRQACC-RBSFLKMASA-N 2 1 350.463 0.104 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC[N@H+]1C ZINC001086091494 842120355 /nfs/dbraw/zinc/12/03/55/842120355.db2.gz APOTUOQVYICSHN-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001086120426 842122560 /nfs/dbraw/zinc/12/25/60/842122560.db2.gz YQLOGVBMXIWEJI-GUIRCDHDSA-N 2 1 352.435 0.387 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001086120426 842122567 /nfs/dbraw/zinc/12/25/67/842122567.db2.gz YQLOGVBMXIWEJI-GUIRCDHDSA-N 2 1 352.435 0.387 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001086880255 842189587 /nfs/dbraw/zinc/18/95/87/842189587.db2.gz QGUFWXPGYVOKCX-ZNMIVQPWSA-N 2 1 367.519 0.942 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001086880255 842189595 /nfs/dbraw/zinc/18/95/95/842189595.db2.gz QGUFWXPGYVOKCX-ZNMIVQPWSA-N 2 1 367.519 0.942 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083408 842275910 /nfs/dbraw/zinc/27/59/10/842275910.db2.gz CKKZHJBRWFKJPJ-RBSFLKMASA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087100216 842289344 /nfs/dbraw/zinc/28/93/44/842289344.db2.gz KEPKFKJMMNTQRM-IIAWOOMASA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087100885 842290387 /nfs/dbraw/zinc/29/03/87/842290387.db2.gz JKVDBLJFJCCEKK-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087100885 842290392 /nfs/dbraw/zinc/29/03/92/842290392.db2.gz JKVDBLJFJCCEKK-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001087175429 842308921 /nfs/dbraw/zinc/30/89/21/842308921.db2.gz NQVABERCIFORHV-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001087671893 842397526 /nfs/dbraw/zinc/39/75/26/842397526.db2.gz VCDDTWNTZXTBNN-LZLYRXPVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CC(=O)N(C)C ZINC001087671893 842397536 /nfs/dbraw/zinc/39/75/36/842397536.db2.gz VCDDTWNTZXTBNN-LZLYRXPVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCN1CCNC1=O ZINC001087725940 842416117 /nfs/dbraw/zinc/41/61/17/842416117.db2.gz LFPPFVURRJEIBF-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCN1CCNC1=O ZINC001087725940 842416123 /nfs/dbraw/zinc/41/61/23/842416123.db2.gz LFPPFVURRJEIBF-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCN1CCNC1=O ZINC001087725940 842416129 /nfs/dbraw/zinc/41/61/29/842416129.db2.gz LFPPFVURRJEIBF-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc(O)cc3F)C2)OCC1=O ZINC001276081438 861311802 /nfs/dbraw/zinc/31/18/02/861311802.db2.gz LDHMGWHRKMBHPW-SFHVURJKSA-N 2 1 351.422 0.896 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3F)C2)OCC1=O ZINC001276081438 861311821 /nfs/dbraw/zinc/31/18/21/861311821.db2.gz LDHMGWHRKMBHPW-SFHVURJKSA-N 2 1 351.422 0.896 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967921 842482833 /nfs/dbraw/zinc/48/28/33/842482833.db2.gz RLVUMARNZSOWFW-IKGGRYGDSA-N 2 1 369.531 0.153 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967921 842482836 /nfs/dbraw/zinc/48/28/36/842482836.db2.gz RLVUMARNZSOWFW-IKGGRYGDSA-N 2 1 369.531 0.153 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CCC1 ZINC001087992046 842492349 /nfs/dbraw/zinc/49/23/49/842492349.db2.gz ARJISZCULBXOSA-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CCC1 ZINC001087992046 842492354 /nfs/dbraw/zinc/49/23/54/842492354.db2.gz ARJISZCULBXOSA-CABCVRRESA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212844 842563413 /nfs/dbraw/zinc/56/34/13/842563413.db2.gz VWIIISAKRLTDAJ-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212844 842563417 /nfs/dbraw/zinc/56/34/17/842563417.db2.gz VWIIISAKRLTDAJ-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212844 842563423 /nfs/dbraw/zinc/56/34/23/842563423.db2.gz VWIIISAKRLTDAJ-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212844 842563433 /nfs/dbraw/zinc/56/34/33/842563433.db2.gz VWIIISAKRLTDAJ-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CCCO ZINC001088574123 842617421 /nfs/dbraw/zinc/61/74/21/842617421.db2.gz DNOAAUWZNOUVMS-BGTYHANMSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCc1ccns1 ZINC001088658486 842642677 /nfs/dbraw/zinc/64/26/77/842642677.db2.gz CZUFVVFUEKHUOO-LUYZLQTOSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCc1ccns1 ZINC001088658486 842642682 /nfs/dbraw/zinc/64/26/82/842642682.db2.gz CZUFVVFUEKHUOO-LUYZLQTOSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCc1ccns1 ZINC001088658486 842642689 /nfs/dbraw/zinc/64/26/89/842642689.db2.gz CZUFVVFUEKHUOO-LUYZLQTOSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCc1ccns1 ZINC001088658486 842642695 /nfs/dbraw/zinc/64/26/95/842642695.db2.gz CZUFVVFUEKHUOO-LUYZLQTOSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088858676 842697978 /nfs/dbraw/zinc/69/79/78/842697978.db2.gz OFKCAMDGFJZJAV-ZNMIVQPWSA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088858676 842697985 /nfs/dbraw/zinc/69/79/85/842697985.db2.gz OFKCAMDGFJZJAV-ZNMIVQPWSA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088858676 842697988 /nfs/dbraw/zinc/69/79/88/842697988.db2.gz OFKCAMDGFJZJAV-ZNMIVQPWSA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001088860721 842698174 /nfs/dbraw/zinc/69/81/74/842698174.db2.gz ZASIGNRNWLSHLT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001088860721 842698178 /nfs/dbraw/zinc/69/81/78/842698178.db2.gz ZASIGNRNWLSHLT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001088860721 842698182 /nfs/dbraw/zinc/69/81/82/842698182.db2.gz ZASIGNRNWLSHLT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088899224 842709018 /nfs/dbraw/zinc/70/90/18/842709018.db2.gz SMYSPPKJOZOYLJ-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088899224 842709024 /nfs/dbraw/zinc/70/90/24/842709024.db2.gz SMYSPPKJOZOYLJ-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001089038887 842751551 /nfs/dbraw/zinc/75/15/51/842751551.db2.gz OUFVTKUCESNPOL-KBMXLJTQSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001089038887 842751558 /nfs/dbraw/zinc/75/15/58/842751558.db2.gz OUFVTKUCESNPOL-KBMXLJTQSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001089038887 842751562 /nfs/dbraw/zinc/75/15/62/842751562.db2.gz OUFVTKUCESNPOL-KBMXLJTQSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001089038887 842751570 /nfs/dbraw/zinc/75/15/70/842751570.db2.gz OUFVTKUCESNPOL-KBMXLJTQSA-N 2 1 357.520 0.342 20 0 FCADMP CCn1nncc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091097849 842961447 /nfs/dbraw/zinc/96/14/47/842961447.db2.gz XIXNTIUHGKJWFB-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1nncc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091097849 842961455 /nfs/dbraw/zinc/96/14/55/842961455.db2.gz XIXNTIUHGKJWFB-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565710 843043529 /nfs/dbraw/zinc/04/35/29/843043529.db2.gz VYCCMVVHXBOWBA-SUMDDJOVSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565710 843043540 /nfs/dbraw/zinc/04/35/40/843043540.db2.gz VYCCMVVHXBOWBA-SUMDDJOVSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565710 843043552 /nfs/dbraw/zinc/04/35/52/843043552.db2.gz VYCCMVVHXBOWBA-SUMDDJOVSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565710 843043566 /nfs/dbraw/zinc/04/35/66/843043566.db2.gz VYCCMVVHXBOWBA-SUMDDJOVSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741006 843086638 /nfs/dbraw/zinc/08/66/38/843086638.db2.gz VYZJIJRQFBAQJB-KHYOSLBOSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741006 843086649 /nfs/dbraw/zinc/08/66/49/843086649.db2.gz VYZJIJRQFBAQJB-KHYOSLBOSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741006 843086663 /nfs/dbraw/zinc/08/66/63/843086663.db2.gz VYZJIJRQFBAQJB-KHYOSLBOSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780627 843093319 /nfs/dbraw/zinc/09/33/19/843093319.db2.gz SVXOJLPEFDPZON-OGWOLHLISA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091783235 843093547 /nfs/dbraw/zinc/09/35/47/843093547.db2.gz WRCSDSBVFKUHDE-RKVPGOIHSA-N 2 1 351.495 0.132 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@@H+](CCCF)C2 ZINC001091868408 843116965 /nfs/dbraw/zinc/11/69/65/843116965.db2.gz PVADTEZPFNQTJC-RVJQKTFWSA-N 2 1 351.466 0.990 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]1C[NH+](CCCF)C2 ZINC001091868408 843116972 /nfs/dbraw/zinc/11/69/72/843116972.db2.gz PVADTEZPFNQTJC-RVJQKTFWSA-N 2 1 351.466 0.990 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]1C[NH+](CCCF)C2 ZINC001091868408 843116976 /nfs/dbraw/zinc/11/69/76/843116976.db2.gz PVADTEZPFNQTJC-RVJQKTFWSA-N 2 1 351.466 0.990 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985373 843134678 /nfs/dbraw/zinc/13/46/78/843134678.db2.gz OJZTXYAEEKTUJB-SUMDDJOVSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022531 843142865 /nfs/dbraw/zinc/14/28/65/843142865.db2.gz XNZMWRXKQCVHPI-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131208 843164509 /nfs/dbraw/zinc/16/45/09/843164509.db2.gz PJLKHENFXRBUIM-GJYPPUQNSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092723856 843286192 /nfs/dbraw/zinc/28/61/92/843286192.db2.gz BQNJKEZHRLCFEN-YFHUEUNASA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092723856 843286204 /nfs/dbraw/zinc/28/62/04/843286204.db2.gz BQNJKEZHRLCFEN-YFHUEUNASA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092723856 843286215 /nfs/dbraw/zinc/28/62/15/843286215.db2.gz BQNJKEZHRLCFEN-YFHUEUNASA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092723856 843286225 /nfs/dbraw/zinc/28/62/25/843286225.db2.gz BQNJKEZHRLCFEN-YFHUEUNASA-N 2 1 353.507 0.959 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194133 843404130 /nfs/dbraw/zinc/40/41/30/843404130.db2.gz WKNLDYAZAITYRA-HZSPNIEDSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194133 843404137 /nfs/dbraw/zinc/40/41/37/843404137.db2.gz WKNLDYAZAITYRA-HZSPNIEDSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001093194133 843404144 /nfs/dbraw/zinc/40/41/44/843404144.db2.gz WKNLDYAZAITYRA-HZSPNIEDSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001093194133 843404152 /nfs/dbraw/zinc/40/41/52/843404152.db2.gz WKNLDYAZAITYRA-HZSPNIEDSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001093673344 843453754 /nfs/dbraw/zinc/45/37/54/843453754.db2.gz OGKCNKQSCHMROY-MCIONIFRSA-N 2 1 351.451 0.494 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691219 843457403 /nfs/dbraw/zinc/45/74/03/843457403.db2.gz NBJFNNNVQHSWKC-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691219 843457409 /nfs/dbraw/zinc/45/74/09/843457409.db2.gz NBJFNNNVQHSWKC-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093825985 843475561 /nfs/dbraw/zinc/47/55/61/843475561.db2.gz VQXHXTZBNPGYGC-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001093857369 843479606 /nfs/dbraw/zinc/47/96/06/843479606.db2.gz ARHMDCKLTFAKPE-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001093857369 843479611 /nfs/dbraw/zinc/47/96/11/843479611.db2.gz ARHMDCKLTFAKPE-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094111123 843517450 /nfs/dbraw/zinc/51/74/50/843517450.db2.gz YFAQXKIDHGHRRG-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001094231796 843536167 /nfs/dbraw/zinc/53/61/67/843536167.db2.gz CAPKFMKQAZDUBT-MGPQQGTHSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001094231796 843536181 /nfs/dbraw/zinc/53/61/81/843536181.db2.gz CAPKFMKQAZDUBT-MGPQQGTHSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)C1 ZINC001094234243 843537747 /nfs/dbraw/zinc/53/77/47/843537747.db2.gz WDZVBYQCXHUSIF-XYPHTWIQSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)C1 ZINC001094234243 843537759 /nfs/dbraw/zinc/53/77/59/843537759.db2.gz WDZVBYQCXHUSIF-XYPHTWIQSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293365 843543111 /nfs/dbraw/zinc/54/31/11/843543111.db2.gz LLRCEXUSOQCVCC-WOSRLPQWSA-N 2 1 352.458 0.839 20 0 FCADMP C[C@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293365 843543117 /nfs/dbraw/zinc/54/31/17/843543117.db2.gz LLRCEXUSOQCVCC-WOSRLPQWSA-N 2 1 352.458 0.839 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412996 843549157 /nfs/dbraw/zinc/54/91/57/843549157.db2.gz RRSCNWSCAVLFLM-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094412996 843549166 /nfs/dbraw/zinc/54/91/66/843549166.db2.gz RRSCNWSCAVLFLM-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094412996 843549172 /nfs/dbraw/zinc/54/91/72/843549172.db2.gz RRSCNWSCAVLFLM-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001096586383 843806856 /nfs/dbraw/zinc/80/68/56/843806856.db2.gz YKXNOOIBADEQQG-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001096586383 843806868 /nfs/dbraw/zinc/80/68/68/843806868.db2.gz YKXNOOIBADEQQG-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)C1 ZINC001096586383 843806875 /nfs/dbraw/zinc/80/68/75/843806875.db2.gz YKXNOOIBADEQQG-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)C1 ZINC001096586383 843806888 /nfs/dbraw/zinc/80/68/88/843806888.db2.gz YKXNOOIBADEQQG-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001096584974 843807668 /nfs/dbraw/zinc/80/76/68/843807668.db2.gz ZTUUDJDAPIIBEI-LAVFITLUSA-N 2 1 351.491 0.998 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001096584974 843807681 /nfs/dbraw/zinc/80/76/81/843807681.db2.gz ZTUUDJDAPIIBEI-LAVFITLUSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC2CCC2)C1 ZINC001096584974 843807696 /nfs/dbraw/zinc/80/76/96/843807696.db2.gz ZTUUDJDAPIIBEI-LAVFITLUSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC2CCC2)C1 ZINC001096584974 843807711 /nfs/dbraw/zinc/80/77/11/843807711.db2.gz ZTUUDJDAPIIBEI-LAVFITLUSA-N 2 1 351.491 0.998 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001097779334 843884925 /nfs/dbraw/zinc/88/49/25/843884925.db2.gz MLZQZHPCKYGOHH-SVGFKBNWSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001097779334 843884933 /nfs/dbraw/zinc/88/49/33/843884933.db2.gz MLZQZHPCKYGOHH-SVGFKBNWSA-N 2 1 369.531 0.484 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223367 843905216 /nfs/dbraw/zinc/90/52/16/843905216.db2.gz IJFYAJKJCGXGRP-JJXSEGSLSA-N 2 1 367.515 0.238 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223367 843905221 /nfs/dbraw/zinc/90/52/21/843905221.db2.gz IJFYAJKJCGXGRP-JJXSEGSLSA-N 2 1 367.515 0.238 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CC3CCC3)CC2)O1 ZINC001098404032 843913987 /nfs/dbraw/zinc/91/39/87/843913987.db2.gz CEYUGCOQTYBDKT-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CC3CCC3)CC2)O1 ZINC001098404032 843913991 /nfs/dbraw/zinc/91/39/91/843913991.db2.gz CEYUGCOQTYBDKT-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](CCO)CC3CCC3)CC2)O1 ZINC001098404032 843913996 /nfs/dbraw/zinc/91/39/96/843913996.db2.gz CEYUGCOQTYBDKT-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](CCO)CC3CCC3)CC2)O1 ZINC001098404032 843913998 /nfs/dbraw/zinc/91/39/98/843913998.db2.gz CEYUGCOQTYBDKT-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001098846834 843939926 /nfs/dbraw/zinc/93/99/26/843939926.db2.gz VLOOBXMQJRQYBY-CUSZFKRNSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001098846834 843939928 /nfs/dbraw/zinc/93/99/28/843939928.db2.gz VLOOBXMQJRQYBY-CUSZFKRNSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001098846834 843939934 /nfs/dbraw/zinc/93/99/34/843939934.db2.gz VLOOBXMQJRQYBY-CUSZFKRNSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001098846834 843939936 /nfs/dbraw/zinc/93/99/36/843939936.db2.gz VLOOBXMQJRQYBY-CUSZFKRNSA-N 2 1 371.547 0.732 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871053 843943138 /nfs/dbraw/zinc/94/31/38/843943138.db2.gz ZSXUKUZTSPOSBU-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871053 843943140 /nfs/dbraw/zinc/94/31/40/843943140.db2.gz ZSXUKUZTSPOSBU-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098871053 843943142 /nfs/dbraw/zinc/94/31/42/843943142.db2.gz ZSXUKUZTSPOSBU-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098871053 843943143 /nfs/dbraw/zinc/94/31/43/843943143.db2.gz ZSXUKUZTSPOSBU-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062892 843959067 /nfs/dbraw/zinc/95/90/67/843959067.db2.gz LHRRHAFMJBKLMA-FCEWJHQRSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092506 843961121 /nfs/dbraw/zinc/96/11/21/843961121.db2.gz DOIUILGZMOUWNJ-BXWFABGCSA-N 2 1 350.507 0.953 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099223019 843978899 /nfs/dbraw/zinc/97/88/99/843978899.db2.gz BYFCFTRZVSCIFP-JHJVBQTASA-N 2 1 360.384 0.351 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099263387 843995656 /nfs/dbraw/zinc/99/56/56/843995656.db2.gz RHUCVPICBHZICZ-JHJVBQTASA-N 2 1 364.412 0.714 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099263387 843995658 /nfs/dbraw/zinc/99/56/58/843995658.db2.gz RHUCVPICBHZICZ-JHJVBQTASA-N 2 1 364.412 0.714 20 0 FCADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099284165 844003993 /nfs/dbraw/zinc/00/39/93/844003993.db2.gz RVDLBRDHJCPBGN-YGFYLSKRSA-N 2 1 365.371 0.798 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099284165 844004001 /nfs/dbraw/zinc/00/40/01/844004001.db2.gz RVDLBRDHJCPBGN-YGFYLSKRSA-N 2 1 365.371 0.798 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099288142 844005877 /nfs/dbraw/zinc/00/58/77/844005877.db2.gz BXHBCWXQEKUJNN-IJLUTSLNSA-N 2 1 364.412 0.714 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780767 844646217 /nfs/dbraw/zinc/64/62/17/844646217.db2.gz NFEUNWLRWHAATP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102780767 844646219 /nfs/dbraw/zinc/64/62/19/844646219.db2.gz NFEUNWLRWHAATP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102780767 844646221 /nfs/dbraw/zinc/64/62/21/844646221.db2.gz NFEUNWLRWHAATP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994317 844682292 /nfs/dbraw/zinc/68/22/92/844682292.db2.gz XTPAMJIPIHRQGD-NXHRZFHOSA-N 2 1 353.507 0.411 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001103005079 844683104 /nfs/dbraw/zinc/68/31/04/844683104.db2.gz OOHXXZUSBQXIJJ-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103005079 844683109 /nfs/dbraw/zinc/68/31/09/844683109.db2.gz OOHXXZUSBQXIJJ-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103005079 844683115 /nfs/dbraw/zinc/68/31/15/844683115.db2.gz OOHXXZUSBQXIJJ-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001103085299 844697696 /nfs/dbraw/zinc/69/76/96/844697696.db2.gz PERDWBMKXBLWOD-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001103085299 844697699 /nfs/dbraw/zinc/69/76/99/844697699.db2.gz PERDWBMKXBLWOD-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090159 844698877 /nfs/dbraw/zinc/69/88/77/844698877.db2.gz MZFWCSJVZWNYIQ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090159 844698880 /nfs/dbraw/zinc/69/88/80/844698880.db2.gz MZFWCSJVZWNYIQ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090159 844698883 /nfs/dbraw/zinc/69/88/83/844698883.db2.gz MZFWCSJVZWNYIQ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103088071 844699271 /nfs/dbraw/zinc/69/92/71/844699271.db2.gz VLDNIVYNQBVFDT-BMFZPTHFSA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+](C)C ZINC001103111818 844703321 /nfs/dbraw/zinc/70/33/21/844703321.db2.gz PQKMFRFUOQKVTB-FMKPAKJESA-N 2 1 351.499 0.371 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+](C)C ZINC001103111818 844703327 /nfs/dbraw/zinc/70/33/27/844703327.db2.gz PQKMFRFUOQKVTB-FMKPAKJESA-N 2 1 351.499 0.371 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103140042 844706498 /nfs/dbraw/zinc/70/64/98/844706498.db2.gz KIWOIGPPFZJHEE-BZUAXINKSA-N 2 1 353.511 0.426 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148246 844708542 /nfs/dbraw/zinc/70/85/42/844708542.db2.gz TUHTVKWHJCBCTD-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148246 844708551 /nfs/dbraw/zinc/70/85/51/844708551.db2.gz TUHTVKWHJCBCTD-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148246 844708555 /nfs/dbraw/zinc/70/85/55/844708555.db2.gz TUHTVKWHJCBCTD-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185508 844719172 /nfs/dbraw/zinc/71/91/72/844719172.db2.gz AAQQZWSQVXIQOQ-HZPDHXFCSA-N 2 1 371.547 0.734 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367689 844744662 /nfs/dbraw/zinc/74/46/62/844744662.db2.gz DSTABNIICCERTN-ICUGJSFKSA-N 2 1 355.523 0.798 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103367689 844744666 /nfs/dbraw/zinc/74/46/66/844744666.db2.gz DSTABNIICCERTN-ICUGJSFKSA-N 2 1 355.523 0.798 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103367689 844744670 /nfs/dbraw/zinc/74/46/70/844744670.db2.gz DSTABNIICCERTN-ICUGJSFKSA-N 2 1 355.523 0.798 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395634 844751396 /nfs/dbraw/zinc/75/13/96/844751396.db2.gz DHWAENKABWAGSS-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396673 844751414 /nfs/dbraw/zinc/75/14/14/844751414.db2.gz DMFNTJBXXQBLMG-BFYDXBDKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001103435956 844757797 /nfs/dbraw/zinc/75/77/97/844757797.db2.gz FUGAAEQIAQCEOC-HBUWYVDXSA-N 2 1 356.486 0.758 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001103435956 844757805 /nfs/dbraw/zinc/75/78/05/844757805.db2.gz FUGAAEQIAQCEOC-HBUWYVDXSA-N 2 1 356.486 0.758 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001103435956 844757812 /nfs/dbraw/zinc/75/78/12/844757812.db2.gz FUGAAEQIAQCEOC-HBUWYVDXSA-N 2 1 356.486 0.758 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438611 844759110 /nfs/dbraw/zinc/75/91/10/844759110.db2.gz SLSUEDXSBFHMEV-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438611 844759115 /nfs/dbraw/zinc/75/91/15/844759115.db2.gz SLSUEDXSBFHMEV-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438611 844759121 /nfs/dbraw/zinc/75/91/21/844759121.db2.gz SLSUEDXSBFHMEV-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520405 844771975 /nfs/dbraw/zinc/77/19/75/844771975.db2.gz MFQSGTNHSLKMCJ-BZUAXINKSA-N 2 1 351.495 0.513 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537114 844775446 /nfs/dbraw/zinc/77/54/46/844775446.db2.gz SVPNDDHAJKLWLX-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537114 844775449 /nfs/dbraw/zinc/77/54/49/844775449.db2.gz SVPNDDHAJKLWLX-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001103631503 844792528 /nfs/dbraw/zinc/79/25/28/844792528.db2.gz PXDGBLYYWUPEHX-RHSMWYFYSA-N 2 1 350.507 0.668 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641834 844793200 /nfs/dbraw/zinc/79/32/00/844793200.db2.gz GFWBIULGMKUBTF-NVXWUHKLSA-N 2 1 351.495 0.573 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103662753 844796052 /nfs/dbraw/zinc/79/60/52/844796052.db2.gz OSEOKJGUVXIVFK-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103662753 844796055 /nfs/dbraw/zinc/79/60/55/844796055.db2.gz OSEOKJGUVXIVFK-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103662753 844796066 /nfs/dbraw/zinc/79/60/66/844796066.db2.gz OSEOKJGUVXIVFK-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103662753 844796070 /nfs/dbraw/zinc/79/60/70/844796070.db2.gz OSEOKJGUVXIVFK-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724835 844809057 /nfs/dbraw/zinc/80/90/57/844809057.db2.gz VYITUEDZZJAILM-NVXWUHKLSA-N 2 1 352.479 0.929 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724835 844809059 /nfs/dbraw/zinc/80/90/59/844809059.db2.gz VYITUEDZZJAILM-NVXWUHKLSA-N 2 1 352.479 0.929 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034043 844855862 /nfs/dbraw/zinc/85/58/62/844855862.db2.gz QKWIJBWSTWPMLR-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034043 844855870 /nfs/dbraw/zinc/85/58/70/844855870.db2.gz QKWIJBWSTWPMLR-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC1CC1 ZINC001104033867 844856277 /nfs/dbraw/zinc/85/62/77/844856277.db2.gz JUWQOCKNWPPLTE-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC1CC1 ZINC001104033867 844856281 /nfs/dbraw/zinc/85/62/81/844856281.db2.gz JUWQOCKNWPPLTE-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1CC[NH2+]CCCO ZINC001104289037 844890077 /nfs/dbraw/zinc/89/00/77/844890077.db2.gz DBZGWYKTFUOSDW-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104354186 844897040 /nfs/dbraw/zinc/89/70/40/844897040.db2.gz VJCOVDQJKLOSKP-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001104680096 844932561 /nfs/dbraw/zinc/93/25/61/844932561.db2.gz PHPVAULGWKVVFX-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908521 844958832 /nfs/dbraw/zinc/95/88/32/844958832.db2.gz ZXJUFTDZJGRRSN-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008042 844969047 /nfs/dbraw/zinc/96/90/47/844969047.db2.gz MWCNYHFIMBUJLQ-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105066678 844977360 /nfs/dbraw/zinc/97/73/60/844977360.db2.gz BHLKGYAKLKNAIH-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105669053 845015562 /nfs/dbraw/zinc/01/55/62/845015562.db2.gz PBTJNKCYGGAGRU-PSBWJHGTSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCCCCC(N)=O)C2 ZINC001276671972 861528511 /nfs/dbraw/zinc/52/85/11/861528511.db2.gz SDIINZGWIYYCCT-GOSISDBHSA-N 2 1 354.495 0.145 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248037 845143165 /nfs/dbraw/zinc/14/31/65/845143165.db2.gz HXLJYBYBENBSFA-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106574245 845197744 /nfs/dbraw/zinc/19/77/44/845197744.db2.gz CUSXDRAIJSPHGP-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106663265 845217261 /nfs/dbraw/zinc/21/72/61/845217261.db2.gz YWGWRLLUYCSNEF-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001106666015 845218746 /nfs/dbraw/zinc/21/87/46/845218746.db2.gz DYVWNDGTDQBQIE-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)C1 ZINC001106665791 845218856 /nfs/dbraw/zinc/21/88/56/845218856.db2.gz BQBAHPHTFOXPFM-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)C1 ZINC001106666768 845220582 /nfs/dbraw/zinc/22/05/82/845220582.db2.gz UJYDGATWIOTFMA-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001106905947 845283037 /nfs/dbraw/zinc/28/30/37/845283037.db2.gz OZTWENZJLFNUJF-HUUCEWRRSA-N 2 1 351.499 0.780 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106910990 845284481 /nfs/dbraw/zinc/28/44/81/845284481.db2.gz ZIYXNORZENWWLB-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106910723 845284801 /nfs/dbraw/zinc/28/48/01/845284801.db2.gz LVYFPPYIRMJFFT-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106982397 845300361 /nfs/dbraw/zinc/30/03/61/845300361.db2.gz JFKMVJMDOGKNDP-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOC3CCC3)[C@H](C)C2)C1 ZINC001107012462 845310200 /nfs/dbraw/zinc/31/02/00/845310200.db2.gz USCSKPJGWYVXEN-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOC3CCC3)[C@H](C)C2)C1 ZINC001107012462 845310210 /nfs/dbraw/zinc/31/02/10/845310210.db2.gz USCSKPJGWYVXEN-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001107042462 845318046 /nfs/dbraw/zinc/31/80/46/845318046.db2.gz NMMMHYCJBSRNSG-BZUAXINKSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001107042464 845318173 /nfs/dbraw/zinc/31/81/73/845318173.db2.gz NMTLOAAADPFXDW-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001107042573 845318415 /nfs/dbraw/zinc/31/84/15/845318415.db2.gz SMPMSVUNBHEROA-HUUCEWRRSA-N 2 1 352.479 0.160 20 0 FCADMP COCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172706 845333526 /nfs/dbraw/zinc/33/35/26/845333526.db2.gz IDJZVIPPESKCMU-CZUORRHYSA-N 2 1 350.467 0.128 20 0 FCADMP COCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172706 845333540 /nfs/dbraw/zinc/33/35/40/845333540.db2.gz IDJZVIPPESKCMU-CZUORRHYSA-N 2 1 350.467 0.128 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329522 845352774 /nfs/dbraw/zinc/35/27/74/845352774.db2.gz YCRLNMAERQWKIZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329522 845352777 /nfs/dbraw/zinc/35/27/77/845352777.db2.gz YCRLNMAERQWKIZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107329522 845352784 /nfs/dbraw/zinc/35/27/84/845352784.db2.gz YCRLNMAERQWKIZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2)C1CCC1 ZINC001107438845 845374092 /nfs/dbraw/zinc/37/40/92/845374092.db2.gz KOCWXMWMAYMHTR-SJLPKXTDSA-N 2 1 371.547 0.876 20 0 FCADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2)C1CCC1 ZINC001107438845 845374096 /nfs/dbraw/zinc/37/40/96/845374096.db2.gz KOCWXMWMAYMHTR-SJLPKXTDSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2)C1CCC1 ZINC001107438845 845374104 /nfs/dbraw/zinc/37/41/04/845374104.db2.gz KOCWXMWMAYMHTR-SJLPKXTDSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2)C1CCC1 ZINC001107438845 845374109 /nfs/dbraw/zinc/37/41/09/845374109.db2.gz KOCWXMWMAYMHTR-SJLPKXTDSA-N 2 1 371.547 0.876 20 0 FCADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2)[NH+](C)C ZINC001107451188 845375136 /nfs/dbraw/zinc/37/51/36/845375136.db2.gz QYZNYQDSNKLWSZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC1CC1)CC2 ZINC001107530906 845391929 /nfs/dbraw/zinc/39/19/29/845391929.db2.gz RXKAEFQVROYKKM-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107546564 845395974 /nfs/dbraw/zinc/39/59/74/845395974.db2.gz HUGWUGOUXUVICA-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107546564 845395982 /nfs/dbraw/zinc/39/59/82/845395982.db2.gz HUGWUGOUXUVICA-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107546564 845395990 /nfs/dbraw/zinc/39/59/90/845395990.db2.gz HUGWUGOUXUVICA-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2)[NH+](C)C ZINC001107550994 845396277 /nfs/dbraw/zinc/39/62/77/845396277.db2.gz QYZNYQDSNKLWSZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC(OCC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)CC1 ZINC001107593292 845404802 /nfs/dbraw/zinc/40/48/02/845404802.db2.gz JLVKRNTWODBKPP-IEBWSBKVSA-N 2 1 353.507 0.840 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC1CC1)CC2 ZINC001107598431 845406218 /nfs/dbraw/zinc/40/62/18/845406218.db2.gz AISJQPKKYUNFPY-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107598431 845406221 /nfs/dbraw/zinc/40/62/21/845406221.db2.gz AISJQPKKYUNFPY-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107598431 845406226 /nfs/dbraw/zinc/40/62/26/845406226.db2.gz AISJQPKKYUNFPY-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609523 845407602 /nfs/dbraw/zinc/40/76/02/845407602.db2.gz VXIDBDMPFDHIJX-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609523 845407614 /nfs/dbraw/zinc/40/76/14/845407614.db2.gz VXIDBDMPFDHIJX-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609523 845407620 /nfs/dbraw/zinc/40/76/20/845407620.db2.gz VXIDBDMPFDHIJX-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609063 845407720 /nfs/dbraw/zinc/40/77/20/845407720.db2.gz AQQHXMZFNONCPO-CRAIPNDOSA-N 2 1 354.495 0.062 20 0 FCADMP CN(C)C(=O)CCNC(=O)[C@@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001276755869 861579009 /nfs/dbraw/zinc/57/90/09/861579009.db2.gz BAKGVZYDDPKBHO-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)NC(=O)[C@@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001276755940 861580105 /nfs/dbraw/zinc/58/01/05/861580105.db2.gz CPKXNRDUOAOUOX-HNNXBMFYSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756264 861581433 /nfs/dbraw/zinc/58/14/33/861581433.db2.gz LKCVKOKVORZDNU-YJBOKZPZSA-N 2 1 353.463 0.193 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756264 861581445 /nfs/dbraw/zinc/58/14/45/861581445.db2.gz LKCVKOKVORZDNU-YJBOKZPZSA-N 2 1 353.463 0.193 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001109555619 845684390 /nfs/dbraw/zinc/68/43/90/845684390.db2.gz XTIKHNQQNQNDCT-OWSLCNJRSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001109555620 845684845 /nfs/dbraw/zinc/68/48/45/845684845.db2.gz XTIKHNQQNQNDCT-VSZNYVQBSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001109685706 845713128 /nfs/dbraw/zinc/71/31/28/845713128.db2.gz GLLUGBKWMHDOMP-MUQADHOPSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001109685706 845713134 /nfs/dbraw/zinc/71/31/34/845713134.db2.gz GLLUGBKWMHDOMP-MUQADHOPSA-N 2 1 350.507 0.917 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844884 845747239 /nfs/dbraw/zinc/74/72/39/845747239.db2.gz LKVPYXZKHCZZRM-QZWWFDLISA-N 2 1 350.463 0.701 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844884 845747241 /nfs/dbraw/zinc/74/72/41/845747241.db2.gz LKVPYXZKHCZZRM-QZWWFDLISA-N 2 1 350.463 0.701 20 0 FCADMP CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110154019 845805822 /nfs/dbraw/zinc/80/58/22/845805822.db2.gz YBJCUVVJUQKLOI-PMPSAXMXSA-N 2 1 372.535 0.133 20 0 FCADMP CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110154019 845805831 /nfs/dbraw/zinc/80/58/31/845805831.db2.gz YBJCUVVJUQKLOI-PMPSAXMXSA-N 2 1 372.535 0.133 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001276794776 861611679 /nfs/dbraw/zinc/61/16/79/861611679.db2.gz AQPXIFSCPIXKAY-SJKOYZFVSA-N 2 1 361.433 0.842 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110958970 846002335 /nfs/dbraw/zinc/00/23/35/846002335.db2.gz BVUPPEQWIKHZQC-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110958970 846002343 /nfs/dbraw/zinc/00/23/43/846002343.db2.gz BVUPPEQWIKHZQC-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110981095 846007373 /nfs/dbraw/zinc/00/73/73/846007373.db2.gz IZVHKMNZHKYWND-SYQHCUMBSA-N 2 1 367.412 0.599 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2C[C@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820130 861631044 /nfs/dbraw/zinc/63/10/44/861631044.db2.gz YRWWFJDUFPTQFO-KBXCAEBGSA-N 2 1 355.479 0.318 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281464 846077854 /nfs/dbraw/zinc/07/78/54/846077854.db2.gz SOQONVGQNGECJH-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281464 846077860 /nfs/dbraw/zinc/07/78/60/846077860.db2.gz SOQONVGQNGECJH-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001111307673 846082102 /nfs/dbraw/zinc/08/21/02/846082102.db2.gz QTPSSTLRFQHIAF-APIJFGDWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001111307673 846082109 /nfs/dbraw/zinc/08/21/09/846082109.db2.gz QTPSSTLRFQHIAF-APIJFGDWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111307673 846082114 /nfs/dbraw/zinc/08/21/14/846082114.db2.gz QTPSSTLRFQHIAF-APIJFGDWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111307673 846082120 /nfs/dbraw/zinc/08/21/20/846082120.db2.gz QTPSSTLRFQHIAF-APIJFGDWSA-N 2 1 350.463 0.245 20 0 FCADMP CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454193 846113153 /nfs/dbraw/zinc/11/31/53/846113153.db2.gz PFFXSBXMCTWCLD-OAGGEKHMSA-N 2 1 372.535 0.133 20 0 FCADMP CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454193 846113162 /nfs/dbraw/zinc/11/31/62/846113162.db2.gz PFFXSBXMCTWCLD-OAGGEKHMSA-N 2 1 372.535 0.133 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111740542 846187414 /nfs/dbraw/zinc/18/74/14/846187414.db2.gz BSVBDEWXJWCBMG-SCTDSRPQSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111740542 846187420 /nfs/dbraw/zinc/18/74/20/846187420.db2.gz BSVBDEWXJWCBMG-SCTDSRPQSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111740542 846187422 /nfs/dbraw/zinc/18/74/22/846187422.db2.gz BSVBDEWXJWCBMG-SCTDSRPQSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001111752465 846191047 /nfs/dbraw/zinc/19/10/47/846191047.db2.gz RQRLYYBXXYYYCE-HPFXQQBRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001111752465 846191055 /nfs/dbraw/zinc/19/10/55/846191055.db2.gz RQRLYYBXXYYYCE-HPFXQQBRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)CC[NH+]1C ZINC001111752465 846191061 /nfs/dbraw/zinc/19/10/61/846191061.db2.gz RQRLYYBXXYYYCE-HPFXQQBRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)CC[NH+]1C ZINC001111752465 846191066 /nfs/dbraw/zinc/19/10/66/846191066.db2.gz RQRLYYBXXYYYCE-HPFXQQBRSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001111864580 846235210 /nfs/dbraw/zinc/23/52/10/846235210.db2.gz XFSHXLGLHLUCCW-KSSFIOAISA-N 2 1 350.463 0.058 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001111864311 846235438 /nfs/dbraw/zinc/23/54/38/846235438.db2.gz KCCJBBNQAVFXSQ-QOKNQOGYSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873040 846238754 /nfs/dbraw/zinc/23/87/54/846238754.db2.gz GQVFWTUZKVLGOE-BXWFABGCSA-N 2 1 355.523 0.942 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873040 846238763 /nfs/dbraw/zinc/23/87/63/846238763.db2.gz GQVFWTUZKVLGOE-BXWFABGCSA-N 2 1 355.523 0.942 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873040 846238771 /nfs/dbraw/zinc/23/87/71/846238771.db2.gz GQVFWTUZKVLGOE-BXWFABGCSA-N 2 1 355.523 0.942 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111907720 846255001 /nfs/dbraw/zinc/25/50/01/846255001.db2.gz IUOMIIPIZDMDIV-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C1CC1)C2 ZINC001111925728 846262550 /nfs/dbraw/zinc/26/25/50/846262550.db2.gz HSVSIMSQEDDFHM-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001111925728 846262563 /nfs/dbraw/zinc/26/25/63/846262563.db2.gz HSVSIMSQEDDFHM-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001111925728 846262572 /nfs/dbraw/zinc/26/25/72/846262572.db2.gz HSVSIMSQEDDFHM-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111938121 846267592 /nfs/dbraw/zinc/26/75/92/846267592.db2.gz MCQRUEBWAFJPCK-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111938121 846267604 /nfs/dbraw/zinc/26/76/04/846267604.db2.gz MCQRUEBWAFJPCK-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111938121 846267615 /nfs/dbraw/zinc/26/76/15/846267615.db2.gz MCQRUEBWAFJPCK-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111938121 846267620 /nfs/dbraw/zinc/26/76/20/846267620.db2.gz MCQRUEBWAFJPCK-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938060 846268335 /nfs/dbraw/zinc/26/83/35/846268335.db2.gz JKULMAGUHCRILW-WMZOPIPTSA-N 2 1 357.495 0.198 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939608 846270567 /nfs/dbraw/zinc/27/05/67/846270567.db2.gz JAMUMMJYTPSMRH-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111939608 846270578 /nfs/dbraw/zinc/27/05/78/846270578.db2.gz JAMUMMJYTPSMRH-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111939608 846270587 /nfs/dbraw/zinc/27/05/87/846270587.db2.gz JAMUMMJYTPSMRH-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113317 846393182 /nfs/dbraw/zinc/39/31/82/846393182.db2.gz OBTXENPPCYYMMW-GHMZBOCLSA-N 2 1 350.385 0.196 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116212 846394829 /nfs/dbraw/zinc/39/48/29/846394829.db2.gz QPEBQNUODLYAAS-MGPQQGTHSA-N 2 1 367.412 0.457 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114156 846394898 /nfs/dbraw/zinc/39/48/98/846394898.db2.gz BKBVEHCOHORSQX-YRGRVCCFSA-N 2 1 364.412 0.394 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112124826 846403032 /nfs/dbraw/zinc/40/30/32/846403032.db2.gz ZNIMXERVEDOTRI-IJLUTSLNSA-N 2 1 364.412 0.584 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112124826 846403039 /nfs/dbraw/zinc/40/30/39/846403039.db2.gz ZNIMXERVEDOTRI-IJLUTSLNSA-N 2 1 364.412 0.584 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112142206 846414185 /nfs/dbraw/zinc/41/41/85/846414185.db2.gz QUWATSRSQIOGRI-VXGBXAGGSA-N 2 1 364.412 0.586 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157820 846424242 /nfs/dbraw/zinc/42/42/42/846424242.db2.gz FBYDGYUNIFAMMB-CHWSQXEVSA-N 2 1 364.412 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159974 846425681 /nfs/dbraw/zinc/42/56/81/846425681.db2.gz KCXKQFBGOJSTCJ-YRGRVCCFSA-N 2 1 366.428 0.688 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001112167000 846430927 /nfs/dbraw/zinc/43/09/27/846430927.db2.gz CMPDGKCDPHWLOJ-UPJWGTAASA-N 2 1 364.412 0.584 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112179028 846439326 /nfs/dbraw/zinc/43/93/26/846439326.db2.gz QOJWJJKLYXAYFD-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112188951 846447439 /nfs/dbraw/zinc/44/74/39/846447439.db2.gz IESQLWLSDAGQSR-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112188951 846447450 /nfs/dbraw/zinc/44/74/50/846447450.db2.gz IESQLWLSDAGQSR-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001112198254 846457075 /nfs/dbraw/zinc/45/70/75/846457075.db2.gz KSSBXERGCFSEKH-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001112198254 846457078 /nfs/dbraw/zinc/45/70/78/846457078.db2.gz KSSBXERGCFSEKH-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112211920 846468244 /nfs/dbraw/zinc/46/82/44/846468244.db2.gz CWURMQWFGNRZFN-IJLUTSLNSA-N 2 1 352.401 0.569 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112212275 846470054 /nfs/dbraw/zinc/47/00/54/846470054.db2.gz XJXJARXOSQSOKW-CHWSQXEVSA-N 2 1 364.412 0.538 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112212275 846470057 /nfs/dbraw/zinc/47/00/57/846470057.db2.gz XJXJARXOSQSOKW-CHWSQXEVSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112442142 846504978 /nfs/dbraw/zinc/50/49/78/846504978.db2.gz MDGMKKJEPFDQPM-DEYYWGMASA-N 2 1 350.463 0.949 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112545792 846520716 /nfs/dbraw/zinc/52/07/16/846520716.db2.gz DJJBKZUIPQAWAQ-HKUYNNGSSA-N 2 1 353.507 0.700 20 0 FCADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594176 846562817 /nfs/dbraw/zinc/56/28/17/846562817.db2.gz XCPIUJWBMUZBRS-BZUAXINKSA-N 2 1 357.495 0.122 20 0 FCADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594176 846562824 /nfs/dbraw/zinc/56/28/24/846562824.db2.gz XCPIUJWBMUZBRS-BZUAXINKSA-N 2 1 357.495 0.122 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001116169889 846621887 /nfs/dbraw/zinc/62/18/87/846621887.db2.gz WVMGWQGTXCGNHE-KRWDZBQOSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276960007 861707591 /nfs/dbraw/zinc/70/75/91/861707591.db2.gz NDHJBCLKEQFJAR-IAGOWNOFSA-N 2 1 352.523 0.223 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001116577396 846710694 /nfs/dbraw/zinc/71/06/94/846710694.db2.gz FHKXQNIVTFBRAL-KKUMJFAQSA-N 2 1 357.520 0.532 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001116577396 846710703 /nfs/dbraw/zinc/71/07/03/846710703.db2.gz FHKXQNIVTFBRAL-KKUMJFAQSA-N 2 1 357.520 0.532 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118057621 847265885 /nfs/dbraw/zinc/26/58/85/847265885.db2.gz FGXWCLVCFGOJTE-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001118089359 847274367 /nfs/dbraw/zinc/27/43/67/847274367.db2.gz VDVVDFXXOIUFLA-INIZCTEOSA-N 2 1 357.495 0.075 20 0 FCADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(NS(C)(=O)=O)cc1 ZINC001118607660 847496240 /nfs/dbraw/zinc/49/62/40/847496240.db2.gz CCMUQHGSOLVZBW-SNVBAGLBSA-N 2 1 351.432 0.863 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC001120474880 848214479 /nfs/dbraw/zinc/21/44/79/848214479.db2.gz NINFMTXOGCNVLO-YNEHKIRRSA-N 2 1 352.401 0.874 20 0 FCADMP CC(C)C(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120475423 848215462 /nfs/dbraw/zinc/21/54/62/848215462.db2.gz PYHXKANUHJMXKZ-IYBDPMFKSA-N 2 1 351.495 0.369 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001120575017 848248144 /nfs/dbraw/zinc/24/81/44/848248144.db2.gz VZHPSOFTRVCIHZ-GOSISDBHSA-N 2 1 358.527 0.879 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001120602491 848250928 /nfs/dbraw/zinc/25/09/28/848250928.db2.gz HTDZMNFPIZPMBG-SJORKVTESA-N 2 1 353.438 0.628 20 0 FCADMP C[C@@H](O)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289578 848334579 /nfs/dbraw/zinc/33/45/79/848334579.db2.gz YPMVJPWXAXKASC-XUGZGYCZSA-N 2 1 353.507 0.884 20 0 FCADMP C[C@@H](O)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289578 848334589 /nfs/dbraw/zinc/33/45/89/848334589.db2.gz YPMVJPWXAXKASC-XUGZGYCZSA-N 2 1 353.507 0.884 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001121828574 848400046 /nfs/dbraw/zinc/40/00/46/848400046.db2.gz BGKVSUVEGCDTHZ-OAHLLOKOSA-N 2 1 353.511 0.605 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001121828574 848400052 /nfs/dbraw/zinc/40/00/52/848400052.db2.gz BGKVSUVEGCDTHZ-OAHLLOKOSA-N 2 1 353.511 0.605 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001121828574 848400059 /nfs/dbraw/zinc/40/00/59/848400059.db2.gz BGKVSUVEGCDTHZ-OAHLLOKOSA-N 2 1 353.511 0.605 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)C1 ZINC001121910017 848413776 /nfs/dbraw/zinc/41/37/76/848413776.db2.gz GHYUGWYGLDVJFZ-NSHDSACASA-N 2 1 357.252 0.394 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C(C)=C\C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC001123506153 848599290 /nfs/dbraw/zinc/59/92/90/848599290.db2.gz VSFFZTKGAKNNQP-FAQRCVTKSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(/C)C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC001123506153 848599298 /nfs/dbraw/zinc/59/92/98/848599298.db2.gz VSFFZTKGAKNNQP-FAQRCVTKSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(/C)C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC001123506153 848599305 /nfs/dbraw/zinc/59/93/05/848599305.db2.gz VSFFZTKGAKNNQP-FAQRCVTKSA-N 2 1 350.507 0.849 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCN1C ZINC001123794849 848639373 /nfs/dbraw/zinc/63/93/73/848639373.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123794849 848639376 /nfs/dbraw/zinc/63/93/76/848639376.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123794849 848639378 /nfs/dbraw/zinc/63/93/78/848639378.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 1 351.539 0.994 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)Cc3nnc(N)s3)CC2)CC1 ZINC001123903448 848652900 /nfs/dbraw/zinc/65/29/00/848652900.db2.gz NHNLGAXFAVGRDE-UHFFFAOYSA-N 2 1 352.508 0.681 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)Cc3nnc(N)s3)CC2)CC1 ZINC001123903448 848652903 /nfs/dbraw/zinc/65/29/03/848652903.db2.gz NHNLGAXFAVGRDE-UHFFFAOYSA-N 2 1 352.508 0.681 20 0 FCADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1cc(C)on1 ZINC001127643647 848730136 /nfs/dbraw/zinc/73/01/36/848730136.db2.gz FFPZQGKMXNXKNJ-MCIONIFRSA-N 2 1 351.451 0.746 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2F)CC[N@H+]1C ZINC001127652868 848731395 /nfs/dbraw/zinc/73/13/95/848731395.db2.gz GBLRDGARQXEVSP-RBSFLKMASA-N 2 1 353.438 0.611 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C ZINC001127706253 848732946 /nfs/dbraw/zinc/73/29/46/848732946.db2.gz LPIBWJYNIQWMGY-UONOGXRCSA-N 2 1 350.467 0.103 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001127701250 848733150 /nfs/dbraw/zinc/73/31/50/848733150.db2.gz LPZXWHSNYUGRQK-UONOGXRCSA-N 2 1 351.499 0.407 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001127706534 848733276 /nfs/dbraw/zinc/73/32/76/848733276.db2.gz MJBNANWYRREBKK-HZSPNIEDSA-N 2 1 355.483 0.045 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049482 848800116 /nfs/dbraw/zinc/80/01/16/848800116.db2.gz XSCWCXXIMBELCI-CABCVRRESA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049482 848800120 /nfs/dbraw/zinc/80/01/20/848800120.db2.gz XSCWCXXIMBELCI-CABCVRRESA-N 2 1 350.467 0.140 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396866 848840207 /nfs/dbraw/zinc/84/02/07/848840207.db2.gz OOUJQLKQXJMWEK-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001129683960 848881905 /nfs/dbraw/zinc/88/19/05/848881905.db2.gz CZNKZWGLYIFRGI-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005764 848929858 /nfs/dbraw/zinc/92/98/58/848929858.db2.gz GPRDQZVAHNURMV-LMQVBRGUSA-N 2 1 352.870 0.714 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130047493 848936414 /nfs/dbraw/zinc/93/64/14/848936414.db2.gz DJUTYZYWGQNOCY-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086286 848942512 /nfs/dbraw/zinc/94/25/12/848942512.db2.gz UGOPKTCZWMMGGS-LOHLBIGBSA-N 2 1 352.870 0.714 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130107177 848945739 /nfs/dbraw/zinc/94/57/39/848945739.db2.gz HRSFPIMIEJJUPH-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130107177 848945743 /nfs/dbraw/zinc/94/57/43/848945743.db2.gz HRSFPIMIEJJUPH-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123370 848947743 /nfs/dbraw/zinc/94/77/43/848947743.db2.gz OVYVSAMBVMIRSX-XQQFMLRXSA-N 2 1 360.384 0.524 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130137232 848949984 /nfs/dbraw/zinc/94/99/84/848949984.db2.gz OUVMGDYHULFSGB-CABCVRRESA-N 2 1 363.491 0.617 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130137232 848949989 /nfs/dbraw/zinc/94/99/89/848949989.db2.gz OUVMGDYHULFSGB-CABCVRRESA-N 2 1 363.491 0.617 20 0 FCADMP CC1CCC(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001130184741 848962804 /nfs/dbraw/zinc/96/28/04/848962804.db2.gz YTACMMBZCGZWQH-GYTBAZASSA-N 2 1 354.495 0.106 20 0 FCADMP CC1CCC(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001130184741 848962810 /nfs/dbraw/zinc/96/28/10/848962810.db2.gz YTACMMBZCGZWQH-GYTBAZASSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccccc2F)O1 ZINC001130184514 848962829 /nfs/dbraw/zinc/96/28/29/848962829.db2.gz TVDMSQAJRRDNJT-IUODEOHRSA-N 2 1 352.410 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccccc2F)O1 ZINC001130184514 848962837 /nfs/dbraw/zinc/96/28/37/848962837.db2.gz TVDMSQAJRRDNJT-IUODEOHRSA-N 2 1 352.410 0.189 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@@H+](C)CC)[nH]1 ZINC001130244599 848985831 /nfs/dbraw/zinc/98/58/31/848985831.db2.gz LFHHUSRUVOYAEK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130244599 848985838 /nfs/dbraw/zinc/98/58/38/848985838.db2.gz LFHHUSRUVOYAEK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001130244599 848985842 /nfs/dbraw/zinc/98/58/42/848985842.db2.gz LFHHUSRUVOYAEK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130244599 848985848 /nfs/dbraw/zinc/98/58/48/848985848.db2.gz LFHHUSRUVOYAEK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130244599 848985854 /nfs/dbraw/zinc/98/58/54/848985854.db2.gz LFHHUSRUVOYAEK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130706738 849027909 /nfs/dbraw/zinc/02/79/09/849027909.db2.gz WQSUAEZTZIGUTO-HLLBOEOZSA-N 2 1 351.495 0.681 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131020460 849071325 /nfs/dbraw/zinc/07/13/25/849071325.db2.gz VPUQAMSAEIDBJX-HUUCEWRRSA-N 2 1 351.495 0.681 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC001131062131 849075857 /nfs/dbraw/zinc/07/58/57/849075857.db2.gz XYJUOZLPOLWWAI-ZIAGYGMSSA-N 2 1 362.503 0.913 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1 ZINC001131115539 849080182 /nfs/dbraw/zinc/08/01/82/849080182.db2.gz RHNOKRILUPXZRI-HZPDHXFCSA-N 2 1 351.495 0.682 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313123 849093404 /nfs/dbraw/zinc/09/34/04/849093404.db2.gz HWUONKGWLMOMNS-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313123 849093410 /nfs/dbraw/zinc/09/34/10/849093410.db2.gz HWUONKGWLMOMNS-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313687 849095593 /nfs/dbraw/zinc/09/55/93/849095593.db2.gz ZWVQAEOTXLMSRH-ZNMIVQPWSA-N 2 1 350.463 0.454 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313687 849095601 /nfs/dbraw/zinc/09/56/01/849095601.db2.gz ZWVQAEOTXLMSRH-ZNMIVQPWSA-N 2 1 350.463 0.454 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2nncs2)CC1 ZINC001131564351 849123121 /nfs/dbraw/zinc/12/31/21/849123121.db2.gz IQROAQYLUJKMSV-PBHICJAKSA-N 2 1 367.519 0.976 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131562406 849123519 /nfs/dbraw/zinc/12/35/19/849123519.db2.gz RNTUGFWIFVVUMD-WDYCEAGBSA-N 2 1 353.507 0.696 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131593117 849128475 /nfs/dbraw/zinc/12/84/75/849128475.db2.gz MPGBKYHQJDYNIC-WDYCEAGBSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC(C(=O)N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)C1 ZINC001142595692 849453381 /nfs/dbraw/zinc/45/33/81/849453381.db2.gz KIDDMOFBKHUCMP-UHFFFAOYSA-N 2 1 364.471 0.394 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001143354027 849484002 /nfs/dbraw/zinc/48/40/02/849484002.db2.gz UUPAPFALBHEHFG-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583244 849586968 /nfs/dbraw/zinc/58/69/68/849586968.db2.gz PJXFGYZEYGSVHD-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583244 849586973 /nfs/dbraw/zinc/58/69/73/849586973.db2.gz PJXFGYZEYGSVHD-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583244 849586977 /nfs/dbraw/zinc/58/69/77/849586977.db2.gz PJXFGYZEYGSVHD-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149737920 849646473 /nfs/dbraw/zinc/64/64/73/849646473.db2.gz ADZXCAKDNBGZHP-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149737920 849646477 /nfs/dbraw/zinc/64/64/77/849646477.db2.gz ADZXCAKDNBGZHP-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001149737920 849646485 /nfs/dbraw/zinc/64/64/85/849646485.db2.gz ADZXCAKDNBGZHP-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001149737920 849646495 /nfs/dbraw/zinc/64/64/95/849646495.db2.gz ADZXCAKDNBGZHP-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153419764 849746097 /nfs/dbraw/zinc/74/60/97/849746097.db2.gz UYIUNUACEYDXIQ-UNEWFSDZSA-N 2 1 354.495 0.045 20 0 FCADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153419764 849746100 /nfs/dbraw/zinc/74/61/00/849746100.db2.gz UYIUNUACEYDXIQ-UNEWFSDZSA-N 2 1 354.495 0.045 20 0 FCADMP CC[N@H+](CCCS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490787 849748690 /nfs/dbraw/zinc/74/86/90/849748690.db2.gz AYCBNSUUCRIAHE-BZUAXINKSA-N 2 1 361.552 0.978 20 0 FCADMP CC[N@@H+](CCCS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490787 849748699 /nfs/dbraw/zinc/74/86/99/849748699.db2.gz AYCBNSUUCRIAHE-BZUAXINKSA-N 2 1 361.552 0.978 20 0 FCADMP CC[NH+](CCCS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153490787 849748708 /nfs/dbraw/zinc/74/87/08/849748708.db2.gz AYCBNSUUCRIAHE-BZUAXINKSA-N 2 1 361.552 0.978 20 0 FCADMP CC[NH+](CCCS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153490787 849748716 /nfs/dbraw/zinc/74/87/16/849748716.db2.gz AYCBNSUUCRIAHE-BZUAXINKSA-N 2 1 361.552 0.978 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccc(S(C)(=O)=O)o2)CC[N@H+]1C ZINC001158380735 850042687 /nfs/dbraw/zinc/04/26/87/850042687.db2.gz VXMFLSTZYOFYQU-TZMCWYRMSA-N 2 1 357.476 0.619 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158389706 850045910 /nfs/dbraw/zinc/04/59/10/850045910.db2.gz JANVFMUICOVYAB-ARFHVFGLSA-N 2 1 356.511 0.354 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001158855583 850080626 /nfs/dbraw/zinc/08/06/26/850080626.db2.gz IEKQBUPRKCHWIB-HNNXBMFYSA-N 3 1 350.511 0.852 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2c(CN(C)C(C)C)[nH]nc2C1 ZINC001158855583 850080640 /nfs/dbraw/zinc/08/06/40/850080640.db2.gz IEKQBUPRKCHWIB-HNNXBMFYSA-N 2 1 350.511 0.852 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159219831 850101549 /nfs/dbraw/zinc/10/15/49/850101549.db2.gz JOAHJBXCGSPUCH-YOEHRIQHSA-N 2 1 350.488 0.879 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]2C ZINC001159633375 850125428 /nfs/dbraw/zinc/12/54/28/850125428.db2.gz KPKNVBQVLCWZMT-HIFRSBDPSA-N 3 1 368.551 0.646 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnc([C@H](C)[NH3+])s3)CC[C@@H]2C1 ZINC001159635325 850125910 /nfs/dbraw/zinc/12/59/10/850125910.db2.gz LIXHSSQMBOPRLG-BFHYXJOUSA-N 2 1 368.503 0.972 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3cnc([C@H](C)[NH3+])s3)CC[C@@H]2C1 ZINC001159635325 850125915 /nfs/dbraw/zinc/12/59/15/850125915.db2.gz LIXHSSQMBOPRLG-BFHYXJOUSA-N 2 1 368.503 0.972 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667482 850128378 /nfs/dbraw/zinc/12/83/78/850128378.db2.gz UNWWJXBVSNKQNM-KKUMJFAQSA-N 2 1 354.401 0.866 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793983 862097186 /nfs/dbraw/zinc/09/71/86/862097186.db2.gz BXWNZBLBXWCAFX-CRAIPNDOSA-N 2 1 355.479 0.175 20 0 FCADMP CC(C)CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857743 850207988 /nfs/dbraw/zinc/20/79/88/850207988.db2.gz OEHPDDGRVWPXAR-OWCLPIDISA-N 2 1 356.511 0.352 20 0 FCADMP CC(C)CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857743 850208000 /nfs/dbraw/zinc/20/80/00/850208000.db2.gz OEHPDDGRVWPXAR-OWCLPIDISA-N 2 1 356.511 0.352 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCOCC(F)(F)F)O1 ZINC001160857330 850208042 /nfs/dbraw/zinc/20/80/42/850208042.db2.gz FIYBZQGIGIUUFZ-CHWSQXEVSA-N 2 1 355.401 0.770 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCOCC(F)(F)F)O1 ZINC001160857330 850208052 /nfs/dbraw/zinc/20/80/52/850208052.db2.gz FIYBZQGIGIUUFZ-CHWSQXEVSA-N 2 1 355.401 0.770 20 0 FCADMP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001448 850220641 /nfs/dbraw/zinc/22/06/41/850220641.db2.gz YOJASVMUNHRIJH-DOTOQJQBSA-N 3 1 350.507 0.166 20 0 FCADMP CCOC(=O)c1c[nH]c2cc(NCCN(CC[NH3+])N(O)N=O)[nH+]cc21 ZINC001161096104 850229981 /nfs/dbraw/zinc/22/99/81/850229981.db2.gz YKQDTMDPLKFBIZ-UHFFFAOYSA-N 2 1 351.367 0.700 20 0 FCADMP O=C([C@@H]1CCCC[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196429 850238590 /nfs/dbraw/zinc/23/85/90/850238590.db2.gz HFMDWLPKCBGTJA-SFHVURJKSA-N 3 1 352.523 0.679 20 0 FCADMP CC(C)[C@H](C[NH3+])C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196256 850239370 /nfs/dbraw/zinc/23/93/70/850239370.db2.gz BDRSYTGGCMPAPY-SFHVURJKSA-N 3 1 354.539 0.768 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)[C@@]12C[C@@H]1CC[NH2+]2 ZINC001161198359 850239439 /nfs/dbraw/zinc/23/94/39/850239439.db2.gz QEAXYXTVYHGNSV-PKOBYXMFSA-N 3 1 350.507 0.289 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N1CC[C@@H]([NH3+])C1 ZINC001164279618 850401558 /nfs/dbraw/zinc/40/15/58/850401558.db2.gz SEOWJYSFSIZRRF-DZGCQCFKSA-N 2 1 350.463 0.725 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001164582072 850417037 /nfs/dbraw/zinc/41/70/37/850417037.db2.gz FWJHFUONXADCLB-GDBMZVCRSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165729085 850453671 /nfs/dbraw/zinc/45/36/71/850453671.db2.gz YMAXFGHJZPHAQY-HUUCEWRRSA-N 2 1 354.495 0.106 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165729085 850453673 /nfs/dbraw/zinc/45/36/73/850453673.db2.gz YMAXFGHJZPHAQY-HUUCEWRRSA-N 2 1 354.495 0.106 20 0 FCADMP Cc1nonc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171486239 850685766 /nfs/dbraw/zinc/68/57/66/850685766.db2.gz JNUAAVJEZWPAMY-WOSRLPQWSA-N 2 1 353.467 0.862 20 0 FCADMP Cc1nonc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171486239 850685768 /nfs/dbraw/zinc/68/57/68/850685768.db2.gz JNUAAVJEZWPAMY-WOSRLPQWSA-N 2 1 353.467 0.862 20 0 FCADMP C[C@@H](CCCC[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500971 850686118 /nfs/dbraw/zinc/68/61/18/850686118.db2.gz OJZRHMFSHJWKMZ-GVDBMIGSSA-N 2 1 351.495 0.867 20 0 FCADMP C[C@@H](CCCC[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500971 850686127 /nfs/dbraw/zinc/68/61/27/850686127.db2.gz OJZRHMFSHJWKMZ-GVDBMIGSSA-N 2 1 351.495 0.867 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015544 850701686 /nfs/dbraw/zinc/70/16/86/850701686.db2.gz SDYIYJVYIQDGHI-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015544 850701693 /nfs/dbraw/zinc/70/16/93/850701693.db2.gz SDYIYJVYIQDGHI-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015544 850701700 /nfs/dbraw/zinc/70/17/00/850701700.db2.gz SDYIYJVYIQDGHI-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP COCCC[NH+]1CCC([NH+]2C[C@H](C(=O)OC)C[C@@H](C(=O)OC)C2)CC1 ZINC001172256174 850710367 /nfs/dbraw/zinc/71/03/67/850710367.db2.gz RIMLLHLIHGRYPH-HUUCEWRRSA-N 2 1 356.463 0.771 20 0 FCADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172255773 850710530 /nfs/dbraw/zinc/71/05/30/850710530.db2.gz AAFLMQLYZOTPCW-XUWVNRHRSA-N 2 1 350.415 0.207 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cn(C)nn2)O1 ZINC001178810402 850932694 /nfs/dbraw/zinc/93/26/94/850932694.db2.gz FDDZGJNEYZKUJM-GDBMZVCRSA-N 2 1 352.483 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cn(C)nn2)O1 ZINC001178810402 850932697 /nfs/dbraw/zinc/93/26/97/850932697.db2.gz FDDZGJNEYZKUJM-GDBMZVCRSA-N 2 1 352.483 0.300 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCn2cncn2)O1 ZINC001178811724 850934228 /nfs/dbraw/zinc/93/42/28/850934228.db2.gz ZXTLCQSSYZSSHL-HZPDHXFCSA-N 2 1 352.483 0.263 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCn2cncn2)O1 ZINC001178811724 850934232 /nfs/dbraw/zinc/93/42/32/850934232.db2.gz ZXTLCQSSYZSSHL-HZPDHXFCSA-N 2 1 352.483 0.263 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC(=N)SCC[NH3+] ZINC001180408962 851034088 /nfs/dbraw/zinc/03/40/88/851034088.db2.gz WXGRCSXKWRJVFL-UONOGXRCSA-N 2 1 364.471 0.650 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC001182012268 851146005 /nfs/dbraw/zinc/14/60/05/851146005.db2.gz IKINGDSCVMQYJJ-KZNAEPCWSA-N 2 1 351.491 0.524 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001182693623 851192818 /nfs/dbraw/zinc/19/28/18/851192818.db2.gz ZXTJPIVPOMWEJX-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001185264705 851348071 /nfs/dbraw/zinc/34/80/71/851348071.db2.gz YOTSBSVVTYXKSX-FVRSWCFKSA-N 2 1 354.495 0.330 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186383397 851430554 /nfs/dbraw/zinc/43/05/54/851430554.db2.gz XPKYEDYXWOHSLK-YESZJQIVSA-N 2 1 353.507 0.554 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945382 851630171 /nfs/dbraw/zinc/63/01/71/851630171.db2.gz WZTDOPDZSDMBLK-YESZJQIVSA-N 2 1 369.531 0.296 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945382 851630178 /nfs/dbraw/zinc/63/01/78/851630178.db2.gz WZTDOPDZSDMBLK-YESZJQIVSA-N 2 1 369.531 0.296 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187971600 851633890 /nfs/dbraw/zinc/63/38/90/851633890.db2.gz RUNDMDCYLFQBKM-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)C)C[C@H]32)CC[N@H+]1C ZINC001187971600 851633896 /nfs/dbraw/zinc/63/38/96/851633896.db2.gz RUNDMDCYLFQBKM-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001187971600 851633902 /nfs/dbraw/zinc/63/39/02/851633902.db2.gz RUNDMDCYLFQBKM-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001187971600 851633908 /nfs/dbraw/zinc/63/39/08/851633908.db2.gz RUNDMDCYLFQBKM-MWDXBVQZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001188962486 851737968 /nfs/dbraw/zinc/73/79/68/851737968.db2.gz ANFZRXFHIZAYEK-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001188979181 851738965 /nfs/dbraw/zinc/73/89/65/851738965.db2.gz KJCQURABZUABFI-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001188979181 851738971 /nfs/dbraw/zinc/73/89/71/851738971.db2.gz KJCQURABZUABFI-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001188970347 851739125 /nfs/dbraw/zinc/73/91/25/851739125.db2.gz GSASZKRIQPKERJ-LSDHHAIUSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001188970347 851739130 /nfs/dbraw/zinc/73/91/30/851739130.db2.gz GSASZKRIQPKERJ-LSDHHAIUSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034078 851743787 /nfs/dbraw/zinc/74/37/87/851743787.db2.gz ADVBPNUVCYWPCS-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034078 851743788 /nfs/dbraw/zinc/74/37/88/851743788.db2.gz ADVBPNUVCYWPCS-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001189110551 851751968 /nfs/dbraw/zinc/75/19/68/851751968.db2.gz RODXFNGDYWJRAM-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001189110551 851751976 /nfs/dbraw/zinc/75/19/76/851751976.db2.gz RODXFNGDYWJRAM-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001189318006 851778744 /nfs/dbraw/zinc/77/87/44/851778744.db2.gz VSGGHJLJMBNVJQ-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001189318006 851778751 /nfs/dbraw/zinc/77/87/51/851778751.db2.gz VSGGHJLJMBNVJQ-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433807 851790281 /nfs/dbraw/zinc/79/02/81/851790281.db2.gz WJGAFXFIBBWDHG-YESZJQIVSA-N 2 1 350.463 0.512 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433807 851790289 /nfs/dbraw/zinc/79/02/89/851790289.db2.gz WJGAFXFIBBWDHG-YESZJQIVSA-N 2 1 350.463 0.512 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189471627 851793811 /nfs/dbraw/zinc/79/38/11/851793811.db2.gz XHUSJBZBSINWCG-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189471627 851793818 /nfs/dbraw/zinc/79/38/18/851793818.db2.gz XHUSJBZBSINWCG-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189477983 851793872 /nfs/dbraw/zinc/79/38/72/851793872.db2.gz LZQDDOCTZNEAPV-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189477983 851793881 /nfs/dbraw/zinc/79/38/81/851793881.db2.gz LZQDDOCTZNEAPV-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485395 851795215 /nfs/dbraw/zinc/79/52/15/851795215.db2.gz VPEHDDXSJFQCBR-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189484734 851795385 /nfs/dbraw/zinc/79/53/85/851795385.db2.gz NJVPAEVQCNFYQC-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189484734 851795391 /nfs/dbraw/zinc/79/53/91/851795391.db2.gz NJVPAEVQCNFYQC-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189653861 851811735 /nfs/dbraw/zinc/81/17/35/851811735.db2.gz ZSGMWCBSEKVFBA-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189653861 851811739 /nfs/dbraw/zinc/81/17/39/851811739.db2.gz ZSGMWCBSEKVFBA-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189653861 851811746 /nfs/dbraw/zinc/81/17/46/851811746.db2.gz ZSGMWCBSEKVFBA-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189653861 851811752 /nfs/dbraw/zinc/81/17/52/851811752.db2.gz ZSGMWCBSEKVFBA-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189653861 851811759 /nfs/dbraw/zinc/81/17/59/851811759.db2.gz ZSGMWCBSEKVFBA-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189668752 851813283 /nfs/dbraw/zinc/81/32/83/851813283.db2.gz NSMZRPCSRSQUTK-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189668752 851813287 /nfs/dbraw/zinc/81/32/87/851813287.db2.gz NSMZRPCSRSQUTK-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189668752 851813290 /nfs/dbraw/zinc/81/32/90/851813290.db2.gz NSMZRPCSRSQUTK-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669319 851814261 /nfs/dbraw/zinc/81/42/61/851814261.db2.gz WPGYUADMDLXRJK-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669319 851814263 /nfs/dbraw/zinc/81/42/63/851814263.db2.gz WPGYUADMDLXRJK-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669319 851814265 /nfs/dbraw/zinc/81/42/65/851814265.db2.gz WPGYUADMDLXRJK-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOCC3CCC3)C[C@H]21 ZINC001189810977 851826750 /nfs/dbraw/zinc/82/67/50/851826750.db2.gz PJADWKHBQFRWIU-ZWKOTPCHSA-N 2 1 353.507 0.914 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871059 851832696 /nfs/dbraw/zinc/83/26/96/851832696.db2.gz JXNFAQSMGVDHBF-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC001193754829 852481442 /nfs/dbraw/zinc/48/14/42/852481442.db2.gz BYALAUKODFROBN-FMKPAKJESA-N 2 1 352.504 0.761 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193766215 852485875 /nfs/dbraw/zinc/48/58/75/852485875.db2.gz PPCOLRMOTGFOBM-MCIONIFRSA-N 2 1 367.412 0.457 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)C1CC1 ZINC001193791023 852489445 /nfs/dbraw/zinc/48/94/45/852489445.db2.gz BATWVZRXVBTWBZ-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193891950 852501343 /nfs/dbraw/zinc/50/13/43/852501343.db2.gz BBJUGBICTGORPM-RRFJBIMHSA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193891950 852501347 /nfs/dbraw/zinc/50/13/47/852501347.db2.gz BBJUGBICTGORPM-RRFJBIMHSA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193891950 852501355 /nfs/dbraw/zinc/50/13/55/852501355.db2.gz BBJUGBICTGORPM-RRFJBIMHSA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193891950 852501365 /nfs/dbraw/zinc/50/13/65/852501365.db2.gz BBJUGBICTGORPM-RRFJBIMHSA-N 2 1 352.504 0.987 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194085520 852534525 /nfs/dbraw/zinc/53/45/25/852534525.db2.gz BCZXYBWEJXPLFQ-IAGOWNOFSA-N 2 1 353.507 0.840 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194085520 852534533 /nfs/dbraw/zinc/53/45/33/852534533.db2.gz BCZXYBWEJXPLFQ-IAGOWNOFSA-N 2 1 353.507 0.840 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126760 852542252 /nfs/dbraw/zinc/54/22/52/852542252.db2.gz JJMYXCWUOBYEGX-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126760 852542254 /nfs/dbraw/zinc/54/22/54/852542254.db2.gz JJMYXCWUOBYEGX-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126760 852542258 /nfs/dbraw/zinc/54/22/58/852542258.db2.gz JJMYXCWUOBYEGX-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126760 852542262 /nfs/dbraw/zinc/54/22/62/852542262.db2.gz JJMYXCWUOBYEGX-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194408683 852593640 /nfs/dbraw/zinc/59/36/40/852593640.db2.gz NDECLBZKAROKTO-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194408683 852593648 /nfs/dbraw/zinc/59/36/48/852593648.db2.gz NDECLBZKAROKTO-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001195859098 852836497 /nfs/dbraw/zinc/83/64/97/852836497.db2.gz DZDHJVIYTCASAR-HZPDHXFCSA-N 2 1 355.866 0.832 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001195859098 852836507 /nfs/dbraw/zinc/83/65/07/852836507.db2.gz DZDHJVIYTCASAR-HZPDHXFCSA-N 2 1 355.866 0.832 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[NH+](CC)CC ZINC001196127650 852895676 /nfs/dbraw/zinc/89/56/76/852895676.db2.gz ABHZNWFDFDAMNY-OWCLPIDISA-N 2 1 354.520 0.967 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[NH+](CC)CC ZINC001196127650 852895679 /nfs/dbraw/zinc/89/56/79/852895679.db2.gz ABHZNWFDFDAMNY-OWCLPIDISA-N 2 1 354.520 0.967 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)C(C)C ZINC001197017416 853049539 /nfs/dbraw/zinc/04/95/39/853049539.db2.gz GHQHNTQKHKUCAI-ZACQAIPSSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C(C)C ZINC001197017416 853049548 /nfs/dbraw/zinc/04/95/48/853049548.db2.gz GHQHNTQKHKUCAI-ZACQAIPSSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)C(C)C ZINC001197024662 853050656 /nfs/dbraw/zinc/05/06/56/853050656.db2.gz GXYCLPHCANMQHA-IIAWOOMASA-N 2 1 365.465 0.796 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)C(C)C ZINC001197024662 853050663 /nfs/dbraw/zinc/05/06/63/853050663.db2.gz GXYCLPHCANMQHA-IIAWOOMASA-N 2 1 365.465 0.796 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)CC1 ZINC001197319441 853097304 /nfs/dbraw/zinc/09/73/04/853097304.db2.gz HFLPMNNZGYWXQO-CHWSQXEVSA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)CC1 ZINC001197319441 853097312 /nfs/dbraw/zinc/09/73/12/853097312.db2.gz HFLPMNNZGYWXQO-CHWSQXEVSA-N 2 1 353.385 0.211 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492914 853123354 /nfs/dbraw/zinc/12/33/54/853123354.db2.gz AVQQDONSAONLKI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492914 853123357 /nfs/dbraw/zinc/12/33/57/853123357.db2.gz AVQQDONSAONLKI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492914 853123361 /nfs/dbraw/zinc/12/33/61/853123361.db2.gz AVQQDONSAONLKI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492914 853123365 /nfs/dbraw/zinc/12/33/65/853123365.db2.gz AVQQDONSAONLKI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001197493550 853123435 /nfs/dbraw/zinc/12/34/35/853123435.db2.gz ROCLBEQZFCNOAZ-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001197493550 853123437 /nfs/dbraw/zinc/12/34/37/853123437.db2.gz ROCLBEQZFCNOAZ-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001197493550 853123438 /nfs/dbraw/zinc/12/34/38/853123438.db2.gz ROCLBEQZFCNOAZ-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001197493550 853123440 /nfs/dbraw/zinc/12/34/40/853123440.db2.gz ROCLBEQZFCNOAZ-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCCc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C2)o1 ZINC001198020388 853205588 /nfs/dbraw/zinc/20/55/88/853205588.db2.gz LYYSUHWJGGTFBE-HUUCEWRRSA-N 2 1 352.479 0.939 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001199057894 853361256 /nfs/dbraw/zinc/36/12/56/853361256.db2.gz XFZOGVFVAOLYGE-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP CCOc1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001199103897 853369828 /nfs/dbraw/zinc/36/98/28/853369828.db2.gz DPHXLJSMJJKKSL-HZPDHXFCSA-N 2 1 350.463 0.482 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127521 853375342 /nfs/dbraw/zinc/37/53/42/853375342.db2.gz GBLPIMHBVRQKKM-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCC3CC3)C2)CC[N@H+]1C ZINC001200546224 853501896 /nfs/dbraw/zinc/50/18/96/853501896.db2.gz AGTGXXWTTYOIBI-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](C[C@@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843436 853573883 /nfs/dbraw/zinc/57/38/83/853573883.db2.gz GYVFABATZUMBEY-YQVWRLOYSA-N 2 1 350.507 0.526 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C[C@@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843436 853573893 /nfs/dbraw/zinc/57/38/93/853573893.db2.gz GYVFABATZUMBEY-YQVWRLOYSA-N 2 1 350.507 0.526 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C[C@@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843436 853573906 /nfs/dbraw/zinc/57/39/06/853573906.db2.gz GYVFABATZUMBEY-YQVWRLOYSA-N 2 1 350.507 0.526 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979180 853775851 /nfs/dbraw/zinc/77/58/51/853775851.db2.gz JMIQZDKBYDHUHH-HYVNUMGLSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979180 853775853 /nfs/dbraw/zinc/77/58/53/853775853.db2.gz JMIQZDKBYDHUHH-HYVNUMGLSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001206992792 853777943 /nfs/dbraw/zinc/77/79/43/853777943.db2.gz IEDBYTIVHSBORY-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001206992792 853777949 /nfs/dbraw/zinc/77/79/49/853777949.db2.gz IEDBYTIVHSBORY-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001206992792 853777951 /nfs/dbraw/zinc/77/79/51/853777951.db2.gz IEDBYTIVHSBORY-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001206992792 853777956 /nfs/dbraw/zinc/77/79/56/853777956.db2.gz IEDBYTIVHSBORY-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207396705 853808807 /nfs/dbraw/zinc/80/88/07/853808807.db2.gz QZTNVVSLOMLPIC-IBGZPJMESA-N 2 1 352.523 0.489 20 0 FCADMP O=C([C@H]1C[C@]2(CO1)CCC[N@@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437409 853812997 /nfs/dbraw/zinc/81/29/97/853812997.db2.gz WJXSZGQBASXLGQ-IEBWSBKVSA-N 2 1 351.491 0.716 20 0 FCADMP O=C(COC[C@]12COC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2)N1CCCC1 ZINC001207437156 853813563 /nfs/dbraw/zinc/81/35/63/853813563.db2.gz PNHIZIJUMHSQMJ-MJGOQNOKSA-N 2 1 351.491 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207553672 853823905 /nfs/dbraw/zinc/82/39/05/853823905.db2.gz KJBSIECGQFOAMB-QGPMSJSTSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568081 853827854 /nfs/dbraw/zinc/82/78/54/853827854.db2.gz NTXYSACSYBUIIY-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568081 853827861 /nfs/dbraw/zinc/82/78/61/853827861.db2.gz NTXYSACSYBUIIY-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568081 853827865 /nfs/dbraw/zinc/82/78/65/853827865.db2.gz NTXYSACSYBUIIY-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568081 853827871 /nfs/dbraw/zinc/82/78/71/853827871.db2.gz NTXYSACSYBUIIY-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686897 853841577 /nfs/dbraw/zinc/84/15/77/853841577.db2.gz RIWCTUYUKRQILA-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686897 853841581 /nfs/dbraw/zinc/84/15/81/853841581.db2.gz RIWCTUYUKRQILA-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207686897 853841585 /nfs/dbraw/zinc/84/15/85/853841585.db2.gz RIWCTUYUKRQILA-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207686897 853841588 /nfs/dbraw/zinc/84/15/88/853841588.db2.gz RIWCTUYUKRQILA-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705483 853843666 /nfs/dbraw/zinc/84/36/66/853843666.db2.gz ANDGTUDWRZBHRI-KFWWJZLASA-N 2 1 354.495 0.045 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705483 853843673 /nfs/dbraw/zinc/84/36/73/853843673.db2.gz ANDGTUDWRZBHRI-KFWWJZLASA-N 2 1 354.495 0.045 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001207758013 853855108 /nfs/dbraw/zinc/85/51/08/853855108.db2.gz ROSVDNHGXDMDEV-OWCLPIDISA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001207758013 853855111 /nfs/dbraw/zinc/85/51/11/853855111.db2.gz ROSVDNHGXDMDEV-OWCLPIDISA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001207758013 853855120 /nfs/dbraw/zinc/85/51/20/853855120.db2.gz ROSVDNHGXDMDEV-OWCLPIDISA-N 2 1 359.511 0.177 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858990 853864791 /nfs/dbraw/zinc/86/47/91/853864791.db2.gz FLONZNVRAQJBFL-HZPDHXFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858990 853864797 /nfs/dbraw/zinc/86/47/97/853864797.db2.gz FLONZNVRAQJBFL-HZPDHXFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208129002 853898850 /nfs/dbraw/zinc/89/88/50/853898850.db2.gz MMEWIOVCNMYAIN-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208129002 853898853 /nfs/dbraw/zinc/89/88/53/853898853.db2.gz MMEWIOVCNMYAIN-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001208129002 853898857 /nfs/dbraw/zinc/89/88/57/853898857.db2.gz MMEWIOVCNMYAIN-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001208129002 853898859 /nfs/dbraw/zinc/89/88/59/853898859.db2.gz MMEWIOVCNMYAIN-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441421 853934301 /nfs/dbraw/zinc/93/43/01/853934301.db2.gz FVXLBEQORIWZQN-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441421 853934307 /nfs/dbraw/zinc/93/43/07/853934307.db2.gz FVXLBEQORIWZQN-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492113 853942543 /nfs/dbraw/zinc/94/25/43/853942543.db2.gz DPYRIEWFHLIMKR-CZUORRHYSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492113 853942549 /nfs/dbraw/zinc/94/25/49/853942549.db2.gz DPYRIEWFHLIMKR-CZUORRHYSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515545 853945251 /nfs/dbraw/zinc/94/52/51/853945251.db2.gz SDKNLUZXISQSQB-BZUAXINKSA-N 2 1 355.527 0.717 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515545 853945253 /nfs/dbraw/zinc/94/52/53/853945253.db2.gz SDKNLUZXISQSQB-BZUAXINKSA-N 2 1 355.527 0.717 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209149624 854002014 /nfs/dbraw/zinc/00/20/14/854002014.db2.gz AJMZAFPYBQBWPV-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209149624 854002019 /nfs/dbraw/zinc/00/20/19/854002019.db2.gz AJMZAFPYBQBWPV-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209487642 854031932 /nfs/dbraw/zinc/03/19/32/854031932.db2.gz BHVSTGUCCMLBOO-FGTMMUONSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209487642 854031933 /nfs/dbraw/zinc/03/19/33/854031933.db2.gz BHVSTGUCCMLBOO-FGTMMUONSA-N 2 1 353.507 0.962 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001209642662 854043560 /nfs/dbraw/zinc/04/35/60/854043560.db2.gz LITUOYMTTCSSKL-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001209642662 854043566 /nfs/dbraw/zinc/04/35/66/854043566.db2.gz LITUOYMTTCSSKL-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033757 854072360 /nfs/dbraw/zinc/07/23/60/854072360.db2.gz ZECDQIYLFKERCW-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033757 854072363 /nfs/dbraw/zinc/07/23/63/854072363.db2.gz ZECDQIYLFKERCW-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033757 854072367 /nfs/dbraw/zinc/07/23/67/854072367.db2.gz ZECDQIYLFKERCW-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033757 854072372 /nfs/dbraw/zinc/07/23/72/854072372.db2.gz ZECDQIYLFKERCW-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179741 854087999 /nfs/dbraw/zinc/08/79/99/854087999.db2.gz QXFICZHAQHGNHX-FHLIZLRMSA-N 2 1 353.507 0.552 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210276519 854095266 /nfs/dbraw/zinc/09/52/66/854095266.db2.gz KINNEXYTQXLIDL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210276519 854095274 /nfs/dbraw/zinc/09/52/74/854095274.db2.gz KINNEXYTQXLIDL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210276519 854095279 /nfs/dbraw/zinc/09/52/79/854095279.db2.gz KINNEXYTQXLIDL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210276519 854095285 /nfs/dbraw/zinc/09/52/85/854095285.db2.gz KINNEXYTQXLIDL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210297133 854097691 /nfs/dbraw/zinc/09/76/91/854097691.db2.gz BAZFQXLATZEDTI-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210297133 854097696 /nfs/dbraw/zinc/09/76/96/854097696.db2.gz BAZFQXLATZEDTI-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210297133 854097700 /nfs/dbraw/zinc/09/77/00/854097700.db2.gz BAZFQXLATZEDTI-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210297133 854097703 /nfs/dbraw/zinc/09/77/03/854097703.db2.gz BAZFQXLATZEDTI-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322052 854100391 /nfs/dbraw/zinc/10/03/91/854100391.db2.gz PDURRAFKTVXBGT-UKRRQHHQSA-N 2 1 357.886 0.551 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322052 854100392 /nfs/dbraw/zinc/10/03/92/854100392.db2.gz PDURRAFKTVXBGT-UKRRQHHQSA-N 2 1 357.886 0.551 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427471 854109859 /nfs/dbraw/zinc/10/98/59/854109859.db2.gz UMHHEFHWVYPPCN-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427471 854109861 /nfs/dbraw/zinc/10/98/61/854109861.db2.gz UMHHEFHWVYPPCN-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521449 854115080 /nfs/dbraw/zinc/11/50/80/854115080.db2.gz CYBPDMGJMLOQPL-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521449 854115085 /nfs/dbraw/zinc/11/50/85/854115085.db2.gz CYBPDMGJMLOQPL-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521449 854115091 /nfs/dbraw/zinc/11/50/91/854115091.db2.gz CYBPDMGJMLOQPL-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521450 854115301 /nfs/dbraw/zinc/11/53/01/854115301.db2.gz CYBPDMGJMLOQPL-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521450 854115305 /nfs/dbraw/zinc/11/53/05/854115305.db2.gz CYBPDMGJMLOQPL-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210521450 854115311 /nfs/dbraw/zinc/11/53/11/854115311.db2.gz CYBPDMGJMLOQPL-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528807 854117363 /nfs/dbraw/zinc/11/73/63/854117363.db2.gz IHNGBXPBFGXNII-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528807 854117365 /nfs/dbraw/zinc/11/73/65/854117365.db2.gz IHNGBXPBFGXNII-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528807 854117369 /nfs/dbraw/zinc/11/73/69/854117369.db2.gz IHNGBXPBFGXNII-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211024877 854147446 /nfs/dbraw/zinc/14/74/46/854147446.db2.gz AVQTZGQESRPCNA-RBSFLKMASA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211024877 854147452 /nfs/dbraw/zinc/14/74/52/854147452.db2.gz AVQTZGQESRPCNA-RBSFLKMASA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211024877 854147462 /nfs/dbraw/zinc/14/74/62/854147462.db2.gz AVQTZGQESRPCNA-RBSFLKMASA-N 2 1 353.511 0.472 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046219 854149972 /nfs/dbraw/zinc/14/99/72/854149972.db2.gz KEBGQUBTUOGPCO-IXDOHACOSA-N 2 1 357.495 0.054 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211073304 854152502 /nfs/dbraw/zinc/15/25/02/854152502.db2.gz BWWOOLXXQGWBFP-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211073304 854152510 /nfs/dbraw/zinc/15/25/10/854152510.db2.gz BWWOOLXXQGWBFP-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343938 854179307 /nfs/dbraw/zinc/17/93/07/854179307.db2.gz UIVNWDMVXDQWBR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410297 854467742 /nfs/dbraw/zinc/46/77/42/854467742.db2.gz PWMPTMVLSRCAOB-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327747 854575713 /nfs/dbraw/zinc/57/57/13/854575713.db2.gz RIOOHWHSKPDGJH-BYNSBNAKSA-N 2 1 363.449 0.814 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327747 854575727 /nfs/dbraw/zinc/57/57/27/854575727.db2.gz RIOOHWHSKPDGJH-BYNSBNAKSA-N 2 1 363.449 0.814 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001213327747 854575739 /nfs/dbraw/zinc/57/57/39/854575739.db2.gz RIOOHWHSKPDGJH-BYNSBNAKSA-N 2 1 363.449 0.814 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001213327747 854575749 /nfs/dbraw/zinc/57/57/49/854575749.db2.gz RIOOHWHSKPDGJH-BYNSBNAKSA-N 2 1 363.449 0.814 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329058 854577746 /nfs/dbraw/zinc/57/77/46/854577746.db2.gz OWFUBNGRDITPPB-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329058 854577750 /nfs/dbraw/zinc/57/77/50/854577750.db2.gz OWFUBNGRDITPPB-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329058 854577757 /nfs/dbraw/zinc/57/77/57/854577757.db2.gz OWFUBNGRDITPPB-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329058 854577764 /nfs/dbraw/zinc/57/77/64/854577764.db2.gz OWFUBNGRDITPPB-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346373 854583613 /nfs/dbraw/zinc/58/36/13/854583613.db2.gz KEVAOULQZNJTDO-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346373 854583616 /nfs/dbraw/zinc/58/36/16/854583616.db2.gz KEVAOULQZNJTDO-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC)[NH+](C)C ZINC001213455875 854625338 /nfs/dbraw/zinc/62/53/38/854625338.db2.gz RQDQGBVTHSVJOA-OWCLPIDISA-N 2 1 350.463 0.041 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC)[NH+](C)C ZINC001213455875 854625341 /nfs/dbraw/zinc/62/53/41/854625341.db2.gz RQDQGBVTHSVJOA-OWCLPIDISA-N 2 1 350.463 0.041 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC)[NH+](C)C ZINC001213460768 854627008 /nfs/dbraw/zinc/62/70/08/854627008.db2.gz ZVZPYOOMGGLYRB-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1OC ZINC001213588416 854677736 /nfs/dbraw/zinc/67/77/36/854677736.db2.gz GCZAARWUDGBQOO-GVDBMIGSSA-N 2 1 359.511 0.321 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1OC ZINC001213588416 854677737 /nfs/dbraw/zinc/67/77/37/854677737.db2.gz GCZAARWUDGBQOO-GVDBMIGSSA-N 2 1 359.511 0.321 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001213588416 854677738 /nfs/dbraw/zinc/67/77/38/854677738.db2.gz GCZAARWUDGBQOO-GVDBMIGSSA-N 2 1 359.511 0.321 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638659 854694660 /nfs/dbraw/zinc/69/46/60/854694660.db2.gz YNABMMRVVNOESG-DJIMGWMZSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213678281 854712463 /nfs/dbraw/zinc/71/24/63/854712463.db2.gz MZRFQWLAICFSRB-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213678281 854712464 /nfs/dbraw/zinc/71/24/64/854712464.db2.gz MZRFQWLAICFSRB-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213678281 854712465 /nfs/dbraw/zinc/71/24/65/854712465.db2.gz MZRFQWLAICFSRB-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213678476 854713527 /nfs/dbraw/zinc/71/35/27/854713527.db2.gz YFWAFAXFNSYFJD-HUUCEWRRSA-N 2 1 370.519 0.375 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213678476 854713530 /nfs/dbraw/zinc/71/35/30/854713530.db2.gz YFWAFAXFNSYFJD-HUUCEWRRSA-N 2 1 370.519 0.375 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213678476 854713531 /nfs/dbraw/zinc/71/35/31/854713531.db2.gz YFWAFAXFNSYFJD-HUUCEWRRSA-N 2 1 370.519 0.375 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213678476 854713534 /nfs/dbraw/zinc/71/35/34/854713534.db2.gz YFWAFAXFNSYFJD-HUUCEWRRSA-N 2 1 370.519 0.375 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719323 854733784 /nfs/dbraw/zinc/73/37/84/854733784.db2.gz XFEXHQJBBUCALG-IAGOWNOFSA-N 2 1 359.511 0.443 20 0 FCADMP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001214343747 854928463 /nfs/dbraw/zinc/92/84/63/854928463.db2.gz FDXCEZVKQVHAEK-BNOWGMLFSA-N 2 1 365.503 0.921 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388685 854938131 /nfs/dbraw/zinc/93/81/31/854938131.db2.gz HGJQOTYXRFWBOH-BMFZPTHFSA-N 2 1 354.495 0.058 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388685 854938132 /nfs/dbraw/zinc/93/81/32/854938132.db2.gz HGJQOTYXRFWBOH-BMFZPTHFSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214611169 854977771 /nfs/dbraw/zinc/97/77/71/854977771.db2.gz RTPCYPXBBFEIRG-BZUAXINKSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214664120 854988370 /nfs/dbraw/zinc/98/83/70/854988370.db2.gz LYRDJSJRTRWIJG-KLHDSHLOSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214663832 854988465 /nfs/dbraw/zinc/98/84/65/854988465.db2.gz FKNLQFHKDDPYFX-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861295 855024418 /nfs/dbraw/zinc/02/44/18/855024418.db2.gz PIYUWIWNLDMNPK-RHSMWYFYSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214856198 855024476 /nfs/dbraw/zinc/02/44/76/855024476.db2.gz XXUIXCOGBUNIBX-BZUAXINKSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214860992 855024647 /nfs/dbraw/zinc/02/46/47/855024647.db2.gz DOLGPERHLZSDCU-DGCLKSJQSA-N 2 1 366.491 0.397 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214861577 855025440 /nfs/dbraw/zinc/02/54/40/855025440.db2.gz YBFPNUVVMYNSGP-DGCLKSJQSA-N 2 1 364.412 0.586 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214862949 855025839 /nfs/dbraw/zinc/02/58/39/855025839.db2.gz ATFMYMZZSFSZHZ-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214889075 855028882 /nfs/dbraw/zinc/02/88/82/855028882.db2.gz GYWSYJJJAWIAKO-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214973287 855042662 /nfs/dbraw/zinc/04/26/62/855042662.db2.gz QHLMDPRZCBQHJN-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001215156112 855074250 /nfs/dbraw/zinc/07/42/50/855074250.db2.gz ZEIZEOZWAPHFGJ-UKRRQHHQSA-N 2 1 368.503 0.453 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001215156066 855074546 /nfs/dbraw/zinc/07/45/46/855074546.db2.gz WKBUBGBKHRNFFW-UMVBOHGHSA-N 2 1 356.492 0.309 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184590 855078868 /nfs/dbraw/zinc/07/88/68/855078868.db2.gz KJNVXTYWZFYULB-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)CC2 ZINC001215409619 855111416 /nfs/dbraw/zinc/11/14/16/855111416.db2.gz AWSAWIDZAMYMOH-FRFSOERESA-N 2 1 350.463 0.199 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215558403 855128259 /nfs/dbraw/zinc/12/82/59/855128259.db2.gz RYAKTYXUKWSKLQ-IJEWVQPXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215929315 855157734 /nfs/dbraw/zinc/15/77/34/855157734.db2.gz FANXOOSWZRFQSG-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929555 855157820 /nfs/dbraw/zinc/15/78/20/855157820.db2.gz GPKLNWQDTKIUEQ-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CCCC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001215938738 855159012 /nfs/dbraw/zinc/15/90/12/855159012.db2.gz LULNBTOWIZPWEB-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)C(C)C ZINC001215977989 855161925 /nfs/dbraw/zinc/16/19/25/855161925.db2.gz UPOBRLAJZSLPNX-IIAWOOMASA-N 2 1 351.499 0.513 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001215993934 855163012 /nfs/dbraw/zinc/16/30/12/855163012.db2.gz ISAFOQNAZHYOMH-ZIAGYGMSSA-N 2 1 350.467 0.087 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216226592 855182026 /nfs/dbraw/zinc/18/20/26/855182026.db2.gz XUWIBZUAWCGDSH-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001216382854 855196837 /nfs/dbraw/zinc/19/68/37/855196837.db2.gz DVZVPONMQXCICJ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001216490636 855207494 /nfs/dbraw/zinc/20/74/94/855207494.db2.gz HUVCQQAWHDZFRN-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216844997 855256229 /nfs/dbraw/zinc/25/62/29/855256229.db2.gz SVJIEYHMFDEKKJ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852056 855259765 /nfs/dbraw/zinc/25/97/65/855259765.db2.gz NAOHNQYJQIHYON-HUUCEWRRSA-N 2 1 362.540 0.093 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216852397 855260678 /nfs/dbraw/zinc/26/06/78/855260678.db2.gz XXCOVKJHNWPODY-HZSPNIEDSA-N 2 1 369.428 0.703 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216852200 855260731 /nfs/dbraw/zinc/26/07/31/855260731.db2.gz RSFZJPYEEYZGRH-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595539 855352701 /nfs/dbraw/zinc/35/27/01/855352701.db2.gz RDNPNGPOMZLYEK-BBWFWOEESA-N 2 1 355.479 0.044 20 0 FCADMP CC(C)OCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595539 855352705 /nfs/dbraw/zinc/35/27/05/855352705.db2.gz RDNPNGPOMZLYEK-BBWFWOEESA-N 2 1 355.479 0.044 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001217735364 855370859 /nfs/dbraw/zinc/37/08/59/855370859.db2.gz NAQZOWMJWCMCHZ-MCIONIFRSA-N 2 1 353.467 0.883 20 0 FCADMP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217923321 855383487 /nfs/dbraw/zinc/38/34/87/855383487.db2.gz LRPDDTUPDJRKAS-FGTMMUONSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)CC[N@@H+]1C ZINC001217933228 855384155 /nfs/dbraw/zinc/38/41/55/855384155.db2.gz VEAFSQUGIASXOS-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)CC[N@H+]1C ZINC001217933228 855384166 /nfs/dbraw/zinc/38/41/66/855384166.db2.gz VEAFSQUGIASXOS-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)CC[NH+]1C ZINC001217933228 855384174 /nfs/dbraw/zinc/38/41/74/855384174.db2.gz VEAFSQUGIASXOS-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)CC[NH+]1C ZINC001217933228 855384185 /nfs/dbraw/zinc/38/41/85/855384185.db2.gz VEAFSQUGIASXOS-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001218086306 855395764 /nfs/dbraw/zinc/39/57/64/855395764.db2.gz NIAGEAHTSKMHOQ-SECBINFHSA-N 2 1 352.391 0.062 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218096412 855397434 /nfs/dbraw/zinc/39/74/34/855397434.db2.gz KXFGZPWSFANRDU-MRVPVSSYSA-N 2 1 354.432 0.389 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CCO[C@@]12CC[NH2+]C2 ZINC001218135125 855399493 /nfs/dbraw/zinc/39/94/93/855399493.db2.gz KOXQYIVLYYJTAS-JDNHERCYSA-N 2 1 352.391 0.062 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC1C[NH+](C(C)(C)C)C1 ZINC001218191501 855405246 /nfs/dbraw/zinc/40/52/46/855405246.db2.gz BCJDVKTYHSOEBY-UHFFFAOYSA-N 2 1 352.435 0.622 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)CCCCC1 ZINC001218355005 855417494 /nfs/dbraw/zinc/41/74/94/855417494.db2.gz IVVPRQOCOJNCAY-DLBZAZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[N@@H+]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533925 855436751 /nfs/dbraw/zinc/43/67/51/855436751.db2.gz UAXLPZFLAPLWGG-YPMHNXCESA-N 3 1 365.503 0.350 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533925 855436753 /nfs/dbraw/zinc/43/67/53/855436753.db2.gz UAXLPZFLAPLWGG-YPMHNXCESA-N 3 1 365.503 0.350 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)CC1 ZINC001218551006 855438902 /nfs/dbraw/zinc/43/89/02/855438902.db2.gz ZAIQLFAVOJXYJT-DLBZAZTESA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218550761 855438912 /nfs/dbraw/zinc/43/89/12/855438912.db2.gz MTHBPJJVFGPPFH-MELADBBJSA-N 2 1 367.412 0.553 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218550761 855438915 /nfs/dbraw/zinc/43/89/15/855438915.db2.gz MTHBPJJVFGPPFH-MELADBBJSA-N 2 1 367.412 0.553 20 0 FCADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@H]([NH3+])CCCNC(N)=O)c2C1 ZINC001218754099 855475667 /nfs/dbraw/zinc/47/56/67/855475667.db2.gz LWLQKJHHGMMWQW-GFCCVEGCSA-N 2 1 368.507 0.813 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789773 855479567 /nfs/dbraw/zinc/47/95/67/855479567.db2.gz TVGXXMIVJFTGKN-BHYGNILZSA-N 2 1 350.463 0.918 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789773 855479571 /nfs/dbraw/zinc/47/95/71/855479571.db2.gz TVGXXMIVJFTGKN-BHYGNILZSA-N 2 1 350.463 0.918 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965801 855504210 /nfs/dbraw/zinc/50/42/10/855504210.db2.gz UIJWOKVCTHCTDS-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965801 855504215 /nfs/dbraw/zinc/50/42/15/855504215.db2.gz UIJWOKVCTHCTDS-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965801 855504220 /nfs/dbraw/zinc/50/42/20/855504220.db2.gz UIJWOKVCTHCTDS-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965801 855504225 /nfs/dbraw/zinc/50/42/25/855504225.db2.gz UIJWOKVCTHCTDS-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965295 855504391 /nfs/dbraw/zinc/50/43/91/855504391.db2.gz JIYIHAOKXSMWEN-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965295 855504396 /nfs/dbraw/zinc/50/43/96/855504396.db2.gz JIYIHAOKXSMWEN-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965662 855504407 /nfs/dbraw/zinc/50/44/07/855504407.db2.gz PGCQRTHSESHXRE-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965662 855504412 /nfs/dbraw/zinc/50/44/12/855504412.db2.gz PGCQRTHSESHXRE-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965662 855504416 /nfs/dbraw/zinc/50/44/16/855504416.db2.gz PGCQRTHSESHXRE-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965662 855504419 /nfs/dbraw/zinc/50/44/19/855504419.db2.gz PGCQRTHSESHXRE-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001218970582 855505478 /nfs/dbraw/zinc/50/54/78/855505478.db2.gz KYEBTZQHELCPBR-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP [NH3+]C1(C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)COC1 ZINC001219190152 855579645 /nfs/dbraw/zinc/57/96/45/855579645.db2.gz BBMXIKSUTZPZLW-UHFFFAOYSA-N 2 1 358.364 0.777 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357780 855644906 /nfs/dbraw/zinc/64/49/06/855644906.db2.gz KRTBJNQYJOYVDZ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357780 855644908 /nfs/dbraw/zinc/64/49/08/855644908.db2.gz KRTBJNQYJOYVDZ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357780 855644911 /nfs/dbraw/zinc/64/49/11/855644911.db2.gz KRTBJNQYJOYVDZ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357780 855644915 /nfs/dbraw/zinc/64/49/15/855644915.db2.gz KRTBJNQYJOYVDZ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001219661174 855758258 /nfs/dbraw/zinc/75/82/58/855758258.db2.gz YXTPWLOTEHGSNY-MLHJIOFPSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCC(C)C)C[C@@H]2O)CC[NH+]1C ZINC001219661174 855758262 /nfs/dbraw/zinc/75/82/62/855758262.db2.gz YXTPWLOTEHGSNY-MLHJIOFPSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@@H]2O)CC[NH+]1C ZINC001219661174 855758265 /nfs/dbraw/zinc/75/82/65/855758265.db2.gz YXTPWLOTEHGSNY-MLHJIOFPSA-N 2 1 355.523 0.941 20 0 FCADMP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877554 855857624 /nfs/dbraw/zinc/85/76/24/855857624.db2.gz KYBNYAOXQUKZTN-WBXGCANISA-N 2 1 353.507 0.862 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219903106 855872161 /nfs/dbraw/zinc/87/21/61/855872161.db2.gz SWLJBPRHGFGZLW-KGLIPLIRSA-N 2 1 353.467 0.202 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219903106 855872163 /nfs/dbraw/zinc/87/21/63/855872163.db2.gz SWLJBPRHGFGZLW-KGLIPLIRSA-N 2 1 353.467 0.202 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219903106 855872166 /nfs/dbraw/zinc/87/21/66/855872166.db2.gz SWLJBPRHGFGZLW-KGLIPLIRSA-N 2 1 353.467 0.202 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001219903106 855872169 /nfs/dbraw/zinc/87/21/69/855872169.db2.gz SWLJBPRHGFGZLW-KGLIPLIRSA-N 2 1 353.467 0.202 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1)OC ZINC001219919898 855878552 /nfs/dbraw/zinc/87/85/52/855878552.db2.gz SHZGAXWXCGSGFO-ZACQAIPSSA-N 2 1 350.463 0.494 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1)OC ZINC001219919897 855878952 /nfs/dbraw/zinc/87/89/52/855878952.db2.gz SHZGAXWXCGSGFO-BBWFWOEESA-N 2 1 350.463 0.494 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219927753 855881606 /nfs/dbraw/zinc/88/16/06/855881606.db2.gz AWSDLOVUNHGVJT-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219927753 855881610 /nfs/dbraw/zinc/88/16/10/855881610.db2.gz AWSDLOVUNHGVJT-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001219927753 855881614 /nfs/dbraw/zinc/88/16/14/855881614.db2.gz AWSDLOVUNHGVJT-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001219927753 855881619 /nfs/dbraw/zinc/88/16/19/855881619.db2.gz AWSDLOVUNHGVJT-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CS(=O)(=O)N(C(=O)c1ccc([C@H]([NH3+])CN)cc1)c1ccc(C[NH3+])cc1 ZINC001219939133 855888135 /nfs/dbraw/zinc/88/81/35/855888135.db2.gz SGKNHAFACGKKDB-MRXNPFEDSA-N 2 1 362.455 0.710 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CC1 ZINC001219944390 855890888 /nfs/dbraw/zinc/89/08/88/855890888.db2.gz YSBHTQQKNBASOV-IKGGRYGDSA-N 2 1 351.491 0.591 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161970 855988560 /nfs/dbraw/zinc/98/85/60/855988560.db2.gz HBLPXKHUJRIUOF-LZLYRXPVSA-N 3 1 350.507 0.478 20 0 FCADMP CN1C[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161970 855988563 /nfs/dbraw/zinc/98/85/63/855988563.db2.gz HBLPXKHUJRIUOF-LZLYRXPVSA-N 2 1 350.507 0.478 20 0 FCADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197479 856004846 /nfs/dbraw/zinc/00/48/46/856004846.db2.gz FXYJEIYCPPUWAM-AWEZNQCLSA-N 2 1 355.479 0.807 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224146 856019953 /nfs/dbraw/zinc/01/99/53/856019953.db2.gz BDOUOGZUUWSEEV-CVEARBPZSA-N 2 1 353.463 0.933 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224146 856019958 /nfs/dbraw/zinc/01/99/58/856019958.db2.gz BDOUOGZUUWSEEV-CVEARBPZSA-N 2 1 353.463 0.933 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001220297166 856050301 /nfs/dbraw/zinc/05/03/01/856050301.db2.gz NUJQVKYMWXWQNB-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220332187 856070179 /nfs/dbraw/zinc/07/01/79/856070179.db2.gz JSTJPEAJUHDYIU-HZPDHXFCSA-N 2 1 371.547 0.637 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345493 856077439 /nfs/dbraw/zinc/07/74/39/856077439.db2.gz XWODYMALNPWHKI-IKGGRYGDSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345493 856077449 /nfs/dbraw/zinc/07/74/49/856077449.db2.gz XWODYMALNPWHKI-IKGGRYGDSA-N 2 1 351.495 0.244 20 0 FCADMP CCOC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN(C)CC1 ZINC001220345698 856078043 /nfs/dbraw/zinc/07/80/43/856078043.db2.gz MERIWTNXLUZEGL-CQSZACIVSA-N 2 1 352.479 0.004 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369850 856088971 /nfs/dbraw/zinc/08/89/71/856088971.db2.gz UYGODFQPXDTKOR-RDBSUJKOSA-N 2 1 363.449 0.550 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369850 856088979 /nfs/dbraw/zinc/08/89/79/856088979.db2.gz UYGODFQPXDTKOR-RDBSUJKOSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369850 856088987 /nfs/dbraw/zinc/08/89/87/856088987.db2.gz UYGODFQPXDTKOR-RDBSUJKOSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369850 856088995 /nfs/dbraw/zinc/08/89/95/856088995.db2.gz UYGODFQPXDTKOR-RDBSUJKOSA-N 2 1 363.449 0.550 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001220478775 856146638 /nfs/dbraw/zinc/14/66/38/856146638.db2.gz KIUYDFFFNZVWAP-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001220478775 856146642 /nfs/dbraw/zinc/14/66/42/856146642.db2.gz KIUYDFFFNZVWAP-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220478775 856146648 /nfs/dbraw/zinc/14/66/48/856146648.db2.gz KIUYDFFFNZVWAP-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220478775 856146652 /nfs/dbraw/zinc/14/66/52/856146652.db2.gz KIUYDFFFNZVWAP-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220478783 856146824 /nfs/dbraw/zinc/14/68/24/856146824.db2.gz KNAUBAGCRFJYOG-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550554 856180219 /nfs/dbraw/zinc/18/02/19/856180219.db2.gz YGMPSYLAUOJVCV-SJORKVTESA-N 2 1 352.479 0.950 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550554 856180222 /nfs/dbraw/zinc/18/02/22/856180222.db2.gz YGMPSYLAUOJVCV-SJORKVTESA-N 2 1 352.479 0.950 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2O)CC1 ZINC001220638165 856215626 /nfs/dbraw/zinc/21/56/26/856215626.db2.gz VDEPFBYOWWTWHK-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220689803 856243790 /nfs/dbraw/zinc/24/37/90/856243790.db2.gz SFHHNZTVLSGSTM-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220689803 856243797 /nfs/dbraw/zinc/24/37/97/856243797.db2.gz SFHHNZTVLSGSTM-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220689803 856243800 /nfs/dbraw/zinc/24/38/00/856243800.db2.gz SFHHNZTVLSGSTM-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220689803 856243808 /nfs/dbraw/zinc/24/38/08/856243808.db2.gz SFHHNZTVLSGSTM-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711140 856256173 /nfs/dbraw/zinc/25/61/73/856256173.db2.gz KYOSGVDDQLATAN-UKRRQHHQSA-N 2 1 365.865 0.070 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728542 856266204 /nfs/dbraw/zinc/26/62/04/856266204.db2.gz PPBCNRVHXWBBCR-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP Cc1cccc(Cl)c1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768346 856289244 /nfs/dbraw/zinc/28/92/44/856289244.db2.gz HZRALZZUGULVLG-SJORKVTESA-N 2 1 369.893 0.888 20 0 FCADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768346 856289253 /nfs/dbraw/zinc/28/92/53/856289253.db2.gz HZRALZZUGULVLG-SJORKVTESA-N 2 1 369.893 0.888 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220798849 856306561 /nfs/dbraw/zinc/30/65/61/856306561.db2.gz IVEXGUPAVHVEQN-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817181 856318630 /nfs/dbraw/zinc/31/86/30/856318630.db2.gz NYRPYZWOOBXEPK-OAGGEKHMSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817181 856318643 /nfs/dbraw/zinc/31/86/43/856318643.db2.gz NYRPYZWOOBXEPK-OAGGEKHMSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817181 856318656 /nfs/dbraw/zinc/31/86/56/856318656.db2.gz NYRPYZWOOBXEPK-OAGGEKHMSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817181 856318668 /nfs/dbraw/zinc/31/86/68/856318668.db2.gz NYRPYZWOOBXEPK-OAGGEKHMSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@@H]1O ZINC001220825737 856326291 /nfs/dbraw/zinc/32/62/91/856326291.db2.gz DSLQBOGNZLRHTA-CVEARBPZSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@@H]1O ZINC001220825737 856326300 /nfs/dbraw/zinc/32/63/00/856326300.db2.gz DSLQBOGNZLRHTA-CVEARBPZSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@@H]1O ZINC001220825737 856326309 /nfs/dbraw/zinc/32/63/09/856326309.db2.gz DSLQBOGNZLRHTA-CVEARBPZSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@@H]1O ZINC001220825737 856326317 /nfs/dbraw/zinc/32/63/17/856326317.db2.gz DSLQBOGNZLRHTA-CVEARBPZSA-N 2 1 354.520 0.887 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001220919195 856374444 /nfs/dbraw/zinc/37/44/44/856374444.db2.gz XRIMEPRAINSMGT-KBPBESRZSA-N 2 1 355.280 0.816 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O ZINC001220985731 856407517 /nfs/dbraw/zinc/40/75/17/856407517.db2.gz DCASXSZBOWMOAL-NXHRZFHOSA-N 2 1 351.491 0.616 20 0 FCADMP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986020 856408716 /nfs/dbraw/zinc/40/87/16/856408716.db2.gz ORUQNNHSXZHVMC-NQVSYGGRSA-N 2 1 353.507 0.862 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220994083 856412057 /nfs/dbraw/zinc/41/20/57/856412057.db2.gz AIOXVYJZOIMIPM-CABCVRRESA-N 2 1 363.449 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220994083 856412065 /nfs/dbraw/zinc/41/20/65/856412065.db2.gz AIOXVYJZOIMIPM-CABCVRRESA-N 2 1 363.449 0.696 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221072332 856449006 /nfs/dbraw/zinc/44/90/06/856449006.db2.gz XVAKECMFLVTKOK-CABCVRRESA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221072332 856449008 /nfs/dbraw/zinc/44/90/08/856449008.db2.gz XVAKECMFLVTKOK-CABCVRRESA-N 2 1 352.504 0.989 20 0 FCADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221195103 856510375 /nfs/dbraw/zinc/51/03/75/856510375.db2.gz YWLHYPWUAQLJEV-GJZGRUSLSA-N 3 1 353.511 0.033 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)[C@H]2C1 ZINC001279269102 862804470 /nfs/dbraw/zinc/80/44/70/862804470.db2.gz JXQXRUBAXOFZFA-QZWWFDLISA-N 2 1 351.491 0.775 20 0 FCADMP C[C@@H](C[NH3+])C(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221344266 856552583 /nfs/dbraw/zinc/55/25/83/856552583.db2.gz VJAXMEHBSNFRIJ-JSGCOSHPSA-N 2 1 365.503 0.871 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552906 856604626 /nfs/dbraw/zinc/60/46/26/856604626.db2.gz JLXAMFIIJOQRPI-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCOCCOC)C[C@H]21 ZINC001221587761 856614712 /nfs/dbraw/zinc/61/47/12/856614712.db2.gz HEIBDAOHMJGIPF-BRWVUGGUSA-N 2 1 359.486 0.862 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654919 856642463 /nfs/dbraw/zinc/64/24/63/856642463.db2.gz YLZUHPMMBUMCPN-SQWLQELKSA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654919 856642470 /nfs/dbraw/zinc/64/24/70/856642470.db2.gz YLZUHPMMBUMCPN-SQWLQELKSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654919 856642477 /nfs/dbraw/zinc/64/24/77/856642477.db2.gz YLZUHPMMBUMCPN-SQWLQELKSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221654919 856642483 /nfs/dbraw/zinc/64/24/83/856642483.db2.gz YLZUHPMMBUMCPN-SQWLQELKSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221776994 856678995 /nfs/dbraw/zinc/67/89/95/856678995.db2.gz NFAIMNOKJGYCFC-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221776994 856678998 /nfs/dbraw/zinc/67/89/98/856678998.db2.gz NFAIMNOKJGYCFC-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789262 856683710 /nfs/dbraw/zinc/68/37/10/856683710.db2.gz MPFNAOJXTAKYDZ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789262 856683716 /nfs/dbraw/zinc/68/37/16/856683716.db2.gz MPFNAOJXTAKYDZ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC1 ZINC001221790631 856684370 /nfs/dbraw/zinc/68/43/70/856684370.db2.gz SAYZIAOIDHLVAU-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC1 ZINC001221790631 856684377 /nfs/dbraw/zinc/68/43/77/856684377.db2.gz SAYZIAOIDHLVAU-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C(C)C)C[C@H]21)[NH+](C)C ZINC001221793171 856685592 /nfs/dbraw/zinc/68/55/92/856685592.db2.gz SCEKPGHENHVLTG-JFIYKMOQSA-N 2 1 352.523 0.972 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C(C)C)C[C@H]21)[NH+](C)C ZINC001221793171 856685595 /nfs/dbraw/zinc/68/55/95/856685595.db2.gz SCEKPGHENHVLTG-JFIYKMOQSA-N 2 1 352.523 0.972 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818421 856698184 /nfs/dbraw/zinc/69/81/84/856698184.db2.gz WRDFXEGQUZGNOF-ARFHVFGLSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818421 856698187 /nfs/dbraw/zinc/69/81/87/856698187.db2.gz WRDFXEGQUZGNOF-ARFHVFGLSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818421 856698190 /nfs/dbraw/zinc/69/81/90/856698190.db2.gz WRDFXEGQUZGNOF-ARFHVFGLSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818421 856698198 /nfs/dbraw/zinc/69/81/98/856698198.db2.gz WRDFXEGQUZGNOF-ARFHVFGLSA-N 2 1 352.523 0.974 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221950385 856745641 /nfs/dbraw/zinc/74/56/41/856745641.db2.gz FSNXRZNEYCVLDJ-IXDOHACOSA-N 2 1 353.507 0.912 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001222017917 856768319 /nfs/dbraw/zinc/76/83/19/856768319.db2.gz CEKOEPCYICAWQN-KZNAEPCWSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018366 856769495 /nfs/dbraw/zinc/76/94/95/856769495.db2.gz YQIHEHYFGUIOGS-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018366 856769501 /nfs/dbraw/zinc/76/95/01/856769501.db2.gz YQIHEHYFGUIOGS-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222052985 856788753 /nfs/dbraw/zinc/78/87/53/856788753.db2.gz DJIHPJJFZRQDNN-HZPDHXFCSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222052985 856788761 /nfs/dbraw/zinc/78/87/61/856788761.db2.gz DJIHPJJFZRQDNN-HZPDHXFCSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222052985 856788767 /nfs/dbraw/zinc/78/87/67/856788767.db2.gz DJIHPJJFZRQDNN-HZPDHXFCSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222052985 856788775 /nfs/dbraw/zinc/78/87/75/856788775.db2.gz DJIHPJJFZRQDNN-HZPDHXFCSA-N 2 1 353.511 0.567 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463485 856842739 /nfs/dbraw/zinc/84/27/39/856842739.db2.gz PGFNAHQUGBMTDR-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463485 856842743 /nfs/dbraw/zinc/84/27/43/856842743.db2.gz PGFNAHQUGBMTDR-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463485 856842746 /nfs/dbraw/zinc/84/27/46/856842746.db2.gz PGFNAHQUGBMTDR-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463485 856842749 /nfs/dbraw/zinc/84/27/49/856842749.db2.gz PGFNAHQUGBMTDR-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223727003 856940041 /nfs/dbraw/zinc/94/00/41/856940041.db2.gz SQOGZLLZRCRMBA-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223727003 856940047 /nfs/dbraw/zinc/94/00/47/856940047.db2.gz SQOGZLLZRCRMBA-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912422 856950920 /nfs/dbraw/zinc/95/09/20/856950920.db2.gz TWQLERULANTEHI-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912422 856950925 /nfs/dbraw/zinc/95/09/25/856950925.db2.gz TWQLERULANTEHI-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912422 856950931 /nfs/dbraw/zinc/95/09/31/856950931.db2.gz TWQLERULANTEHI-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167234 857194401 /nfs/dbraw/zinc/19/44/01/857194401.db2.gz IXWUOMMLJIGQFG-BZUAXINKSA-N 2 1 354.495 0.249 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228167234 857194407 /nfs/dbraw/zinc/19/44/07/857194407.db2.gz IXWUOMMLJIGQFG-BZUAXINKSA-N 2 1 354.495 0.249 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138040 857305883 /nfs/dbraw/zinc/30/58/83/857305883.db2.gz DDWJJLINQHRPSU-GVDBMIGSSA-N 2 1 350.507 0.824 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230141491 857307011 /nfs/dbraw/zinc/30/70/11/857307011.db2.gz MZIRMRIPRNUUFB-ARFHVFGLSA-N 2 1 359.536 0.780 20 0 FCADMP CN(C)S(=O)(=O)N1CC2(C1)CCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001279477148 862905430 /nfs/dbraw/zinc/90/54/30/862905430.db2.gz HXYKXACOJCYWIB-UHFFFAOYSA-N 2 1 358.552 0.923 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H]1[C@H](C)CNCC1(F)F)C2 ZINC001235331747 857422304 /nfs/dbraw/zinc/42/23/04/857422304.db2.gz YCLQQFRRRNLAJM-QWCKYMPWSA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331747 857422305 /nfs/dbraw/zinc/42/23/05/857422305.db2.gz YCLQQFRRRNLAJM-QWCKYMPWSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331747 857422313 /nfs/dbraw/zinc/42/23/13/857422313.db2.gz YCLQQFRRRNLAJM-QWCKYMPWSA-N 3 1 357.445 0.808 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235469064 857425009 /nfs/dbraw/zinc/42/50/09/857425009.db2.gz YFVDTNJYNCGDGA-QXSJWSMHSA-N 2 1 353.463 0.459 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235469064 857425011 /nfs/dbraw/zinc/42/50/11/857425011.db2.gz YFVDTNJYNCGDGA-QXSJWSMHSA-N 2 1 353.463 0.459 20 0 FCADMP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235492535 857425129 /nfs/dbraw/zinc/42/51/29/857425129.db2.gz BCVLNVYRIREABD-RLFYNMQTSA-N 2 1 355.479 0.439 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235549872 857427960 /nfs/dbraw/zinc/42/79/60/857427960.db2.gz MBMVQPQVUUHGCN-KSSFIOAISA-N 2 1 352.479 0.114 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235549872 857427966 /nfs/dbraw/zinc/42/79/66/857427966.db2.gz MBMVQPQVUUHGCN-KSSFIOAISA-N 2 1 352.479 0.114 20 0 FCADMP CC(C)N(C)C(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235727782 857431588 /nfs/dbraw/zinc/43/15/88/857431588.db2.gz ZSEJHYRQHBQAOH-OWCLPIDISA-N 2 1 354.495 0.105 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3csc(NC(C)=O)n3)C[C@H]1C2 ZINC001236027877 857435809 /nfs/dbraw/zinc/43/58/09/857435809.db2.gz OTNSPPCOKBELKF-WFTWPBCJSA-N 2 1 364.471 0.932 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3csc(NC(C)=O)n3)C[C@H]1C2 ZINC001236027877 857435813 /nfs/dbraw/zinc/43/58/13/857435813.db2.gz OTNSPPCOKBELKF-WFTWPBCJSA-N 2 1 364.471 0.932 20 0 FCADMP COC(=O)[C@H]1CN(Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C[C@@H]1[NH3+] ZINC001236350678 857441157 /nfs/dbraw/zinc/44/11/57/857441157.db2.gz JZWMZPRDXVKNJJ-HOCLYGCPSA-N 2 1 350.438 0.510 20 0 FCADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239076511 857505941 /nfs/dbraw/zinc/50/59/41/857505941.db2.gz DGLSUPLJHBEEKF-CQSZACIVSA-N 2 1 357.476 0.623 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(CN(S(=O)(=O)c4cn(C)cn4)C3)C2)CC1 ZINC001279501256 862919119 /nfs/dbraw/zinc/91/91/19/862919119.db2.gz DGMSGDUKOUTLMV-UHFFFAOYSA-N 2 1 367.519 0.458 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001239077515 857506765 /nfs/dbraw/zinc/50/67/65/857506765.db2.gz QIGXXKUMRYDUSE-UHFFFAOYSA-N 2 1 364.515 0.919 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC001239077515 857506769 /nfs/dbraw/zinc/50/67/69/857506769.db2.gz QIGXXKUMRYDUSE-UHFFFAOYSA-N 2 1 364.515 0.919 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001239077299 857507476 /nfs/dbraw/zinc/50/74/76/857507476.db2.gz GALMVSCVCFPTSF-QZTJIDSGSA-N 2 1 371.547 0.735 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001245979036 857561980 /nfs/dbraw/zinc/56/19/80/857561980.db2.gz SAILABXWTRHBJQ-WNRNVDISSA-N 2 1 355.429 0.696 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001245978175 857561992 /nfs/dbraw/zinc/56/19/92/857561992.db2.gz JYILBSNHUCOSCC-KMJFJPQNSA-N 2 1 355.429 0.552 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCCOC1CC[NH2+]CC1 ZINC001245980183 857563433 /nfs/dbraw/zinc/56/34/33/857563433.db2.gz NBFKCVQTSIFLQW-ZWKOTPCHSA-N 2 1 357.445 0.944 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001246048645 857567207 /nfs/dbraw/zinc/56/72/07/857567207.db2.gz ZGZVGURQYHDVFU-KZCXMXTOSA-N 2 1 350.459 0.521 20 0 FCADMP O[C@]1(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246053739 857567427 /nfs/dbraw/zinc/56/74/27/857567427.db2.gz TVWQDMGUJGWKEP-LJQANCHMSA-N 3 1 354.539 0.125 20 0 FCADMP O[C@]1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCCNC1 ZINC001246053739 857567430 /nfs/dbraw/zinc/56/74/30/857567430.db2.gz TVWQDMGUJGWKEP-LJQANCHMSA-N 2 1 354.539 0.125 20 0 FCADMP O[C@]1(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCCNC1 ZINC001246053739 857567435 /nfs/dbraw/zinc/56/74/35/857567435.db2.gz TVWQDMGUJGWKEP-LJQANCHMSA-N 2 1 354.539 0.125 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C3CCN([C@@H]4CC[NH2+]C4)CC3)C[C@H](C1)N2 ZINC001246377617 857576147 /nfs/dbraw/zinc/57/61/47/857576147.db2.gz OQGPXIFQMNMTGJ-JTQQNFFNSA-N 2 1 350.507 0.475 20 0 FCADMP O=S(=O)(c1ccccc1)N(C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246530449 857584531 /nfs/dbraw/zinc/58/45/31/857584531.db2.gz YDVOLSACMPZTJA-MRXNPFEDSA-N 2 1 364.515 0.523 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H]1C(=O)OC ZINC001246603132 857585533 /nfs/dbraw/zinc/58/55/33/857585533.db2.gz MJZNPPNROHCATP-RBSFLKMASA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)CCC(CCC(=O)OCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246620867 857586899 /nfs/dbraw/zinc/58/68/99/857586899.db2.gz BADOXEUGCKQJNL-SFHVURJKSA-N 2 1 355.479 0.679 20 0 FCADMP O=C([C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677653 857589275 /nfs/dbraw/zinc/58/92/75/857589275.db2.gz KTYQMESBNWROBN-NCOADZHNSA-N 2 1 352.548 0.961 20 0 FCADMP O=C([C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677653 857589281 /nfs/dbraw/zinc/58/92/81/857589281.db2.gz KTYQMESBNWROBN-NCOADZHNSA-N 2 1 352.548 0.961 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246677416 857589443 /nfs/dbraw/zinc/58/94/43/857589443.db2.gz DNMUVJREVXZBKO-KRXQYRFLSA-N 2 1 353.463 0.145 20 0 FCADMP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246710759 857592722 /nfs/dbraw/zinc/59/27/22/857592722.db2.gz QQFLKAYINHMQTG-CYLNWZRHSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@H]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C[NH2+]1 ZINC001246729507 857594153 /nfs/dbraw/zinc/59/41/53/857594153.db2.gz ORBXSHRGPQMMCC-IRXDYDNUSA-N 3 1 351.539 0.297 20 0 FCADMP C[C@H]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C[NH2+]1 ZINC001246729507 857594159 /nfs/dbraw/zinc/59/41/59/857594159.db2.gz ORBXSHRGPQMMCC-IRXDYDNUSA-N 3 1 351.539 0.297 20 0 FCADMP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246748659 857596712 /nfs/dbraw/zinc/59/67/12/857596712.db2.gz CADFFRBNVOCXMC-HRCADAONSA-N 2 1 361.515 0.721 20 0 FCADMP CS(=O)(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750405 857596754 /nfs/dbraw/zinc/59/67/54/857596754.db2.gz XTFHNYHQLMTTDA-NVXWUHKLSA-N 2 1 356.536 0.361 20 0 FCADMP CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750342 857597603 /nfs/dbraw/zinc/59/76/03/857597603.db2.gz ULVOKBKNYGEWQD-LPHOPBHVSA-N 2 1 350.507 0.430 20 0 FCADMP COC(=O)[C@@H](N)[C@H]1CCC[N@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926498 857606439 /nfs/dbraw/zinc/60/64/39/857606439.db2.gz TXZJNIJBIVRUQP-KKKMWLMNSA-N 2 1 353.463 0.271 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC001246985903 857609156 /nfs/dbraw/zinc/60/91/56/857609156.db2.gz AQWUJSKHTKUVLZ-PKOBYXMFSA-N 3 1 352.523 0.818 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416381 857799189 /nfs/dbraw/zinc/79/91/89/857799189.db2.gz XDPXTVMCZMWHRN-ZBFHGGJFSA-N 2 1 352.431 0.869 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccns4)CC3)[C@@H]2C1 ZINC001279555744 862955929 /nfs/dbraw/zinc/95/59/29/862955929.db2.gz DPFWEVHDCRASBT-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccns4)CC3)[C@@H]2C1 ZINC001279555744 862955938 /nfs/dbraw/zinc/95/59/38/862955938.db2.gz DPFWEVHDCRASBT-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccns4)CC3)[C@@H]2C1 ZINC001279555744 862955948 /nfs/dbraw/zinc/95/59/48/862955948.db2.gz DPFWEVHDCRASBT-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CC[NH+](CC)C[C@@H](O)CN1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253182669 857868997 /nfs/dbraw/zinc/86/89/97/857868997.db2.gz SGXVEVGDRJGILF-RTBURBONSA-N 2 1 357.539 0.750 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001253184876 857869419 /nfs/dbraw/zinc/86/94/19/857869419.db2.gz MDOVQOUDWBVVRZ-LMMKCTJWSA-N 2 1 355.523 0.800 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001253184876 857869423 /nfs/dbraw/zinc/86/94/23/857869423.db2.gz MDOVQOUDWBVVRZ-LMMKCTJWSA-N 2 1 355.523 0.800 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001253389266 857885399 /nfs/dbraw/zinc/88/53/99/857885399.db2.gz XQQIMNVPECABSB-QBPKDAKJSA-N 2 1 353.507 0.741 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001253389266 857885402 /nfs/dbraw/zinc/88/54/02/857885402.db2.gz XQQIMNVPECABSB-QBPKDAKJSA-N 2 1 353.507 0.741 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]12 ZINC001253405837 857886508 /nfs/dbraw/zinc/88/65/08/857886508.db2.gz RZMKUGVBVONYEZ-GBJTYRQASA-N 2 1 357.495 0.959 20 0 FCADMP C[N@H+]1CCC[C@@H](NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001254513410 857975898 /nfs/dbraw/zinc/97/58/98/857975898.db2.gz YQSBECBMRNHKJJ-OAHLLOKOSA-N 2 1 352.504 0.890 20 0 FCADMP C[N@H+]1CCC[C@H](NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001254513409 857976389 /nfs/dbraw/zinc/97/63/89/857976389.db2.gz YQSBECBMRNHKJJ-HNNXBMFYSA-N 2 1 352.504 0.890 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC2CC[NH2+]CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279614737 862978755 /nfs/dbraw/zinc/97/87/55/862978755.db2.gz BKEHQMPIPDAUGA-IBGZPJMESA-N 3 1 351.539 0.204 20 0 FCADMP Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)c1 ZINC001279614771 862979299 /nfs/dbraw/zinc/97/92/99/862979299.db2.gz CWKLCMTUIIREJP-GASCZTMLSA-N 2 1 353.492 0.257 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@H]2C1 ZINC001256078377 858052589 /nfs/dbraw/zinc/05/25/89/858052589.db2.gz LRNCAVICBQANLM-CABCVRRESA-N 2 1 356.536 0.673 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](C4CC4)CC3)C[C@H]2C1 ZINC001256078377 858052609 /nfs/dbraw/zinc/05/26/09/858052609.db2.gz LRNCAVICBQANLM-CABCVRRESA-N 2 1 356.536 0.673 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001258150015 858180490 /nfs/dbraw/zinc/18/04/90/858180490.db2.gz WPVFWCGLZHPSLW-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)C[NH+]1CCOCC1 ZINC001258363626 858192264 /nfs/dbraw/zinc/19/22/64/858192264.db2.gz GGOPUPTYYFJVFH-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cn1C ZINC001279709750 863018868 /nfs/dbraw/zinc/01/88/68/863018868.db2.gz JCCIGOGEDTWCOS-IRXDYDNUSA-N 2 1 350.463 0.258 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cn1C ZINC001279709750 863018879 /nfs/dbraw/zinc/01/88/79/863018879.db2.gz JCCIGOGEDTWCOS-IRXDYDNUSA-N 2 1 350.463 0.258 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2CCN1CCOCC1 ZINC001279771493 863053220 /nfs/dbraw/zinc/05/32/20/863053220.db2.gz KMTGTFOWQRZYIM-PKOBYXMFSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC001262066546 858770557 /nfs/dbraw/zinc/77/05/57/858770557.db2.gz FFSBKQNSCSJMSE-YRGRVCCFSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC001262066546 858770561 /nfs/dbraw/zinc/77/05/61/858770561.db2.gz FFSBKQNSCSJMSE-YRGRVCCFSA-N 2 1 350.488 0.464 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264098294 859311483 /nfs/dbraw/zinc/31/14/83/859311483.db2.gz DUNGTDIPUTYDDD-FGTMMUONSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822541 860272509 /nfs/dbraw/zinc/27/25/09/860272509.db2.gz YPJKKEYUKMJHSV-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001272824932 860272790 /nfs/dbraw/zinc/27/27/90/860272790.db2.gz GWSZNNRZMXKRDG-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001272824932 860272796 /nfs/dbraw/zinc/27/27/96/860272796.db2.gz GWSZNNRZMXKRDG-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001272824932 860272802 /nfs/dbraw/zinc/27/28/02/860272802.db2.gz GWSZNNRZMXKRDG-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001273316940 860448023 /nfs/dbraw/zinc/44/80/23/860448023.db2.gz SVJMPFXBVOOVGT-TXPKVOOTSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCCC1)CC2 ZINC001273339686 860460400 /nfs/dbraw/zinc/46/04/00/860460400.db2.gz UNMPQWVXSQGSCE-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCCC1)CC2 ZINC001273339686 860460405 /nfs/dbraw/zinc/46/04/05/860460405.db2.gz UNMPQWVXSQGSCE-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001273454240 860493750 /nfs/dbraw/zinc/49/37/50/860493750.db2.gz NKTQVJHYBXKPIQ-FRQCXROJSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001273452854 860494117 /nfs/dbraw/zinc/49/41/17/860494117.db2.gz DESOWCHVBOUTLX-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001274407372 860744430 /nfs/dbraw/zinc/74/44/30/860744430.db2.gz CHQLDYANJVQXBO-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001274407372 860744439 /nfs/dbraw/zinc/74/44/39/860744439.db2.gz CHQLDYANJVQXBO-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CCOC(=O)[C@@H](C)N1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556994 861127562 /nfs/dbraw/zinc/12/75/62/861127562.db2.gz RNAXLTAMKUENCF-CQSZACIVSA-N 2 1 353.463 0.193 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3c(N)ncnc3Cl)C2)C1=O ZINC001275578893 861134645 /nfs/dbraw/zinc/13/46/45/861134645.db2.gz LDZHATAJWDTEIT-MRXNPFEDSA-N 2 1 352.870 0.698 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3c(N)ncnc3Cl)C2)C1=O ZINC001275578893 861134652 /nfs/dbraw/zinc/13/46/52/861134652.db2.gz LDZHATAJWDTEIT-MRXNPFEDSA-N 2 1 352.870 0.698 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737146 861180282 /nfs/dbraw/zinc/18/02/82/861180282.db2.gz INYOJIVBSYNYGC-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP CCS(=O)(=O)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737889 861181289 /nfs/dbraw/zinc/18/12/89/861181289.db2.gz QPVPCDJKXVKWOE-SFHVURJKSA-N 2 1 371.547 0.878 20 0 FCADMP O=C1N(CCN2CCOCC2)CC[C@@]12CCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737843 861181948 /nfs/dbraw/zinc/18/19/48/861181948.db2.gz PIUZWNMTEUPSSR-IBGZPJMESA-N 2 1 350.507 0.385 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]23)CC1 ZINC001279891648 863118769 /nfs/dbraw/zinc/11/87/69/863118769.db2.gz DVFHFECPLOBDNH-VNQPRFMTSA-N 2 1 350.463 0.262 20 0 FCADMP COCCOC[N@@H+]1CC[C@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975850 863161978 /nfs/dbraw/zinc/16/19/78/863161978.db2.gz RGZHUNPGXGQSEV-KRWDZBQOSA-N 2 1 358.552 0.831 20 0 FCADMP COCCOC[N@H+]1CC[C@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975850 863161983 /nfs/dbraw/zinc/16/19/83/863161983.db2.gz RGZHUNPGXGQSEV-KRWDZBQOSA-N 2 1 358.552 0.831 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001279993200 863171134 /nfs/dbraw/zinc/17/11/34/863171134.db2.gz LMBHSPIYFLRJLQ-UHFFFAOYSA-N 2 1 369.579 0.689 20 0 FCADMP O=C(C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12)N1CC(F)(C2CC2)C1 ZINC001280135234 863285241 /nfs/dbraw/zinc/28/52/41/863285241.db2.gz KNPZFCOAFVVSRK-LSDHHAIUSA-N 2 1 350.438 0.633 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280137567 863288528 /nfs/dbraw/zinc/28/85/28/863288528.db2.gz KVUKBTGBFINDHL-LPHOPBHVSA-N 2 1 350.507 0.683 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](C[C@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195811 863324660 /nfs/dbraw/zinc/32/46/60/863324660.db2.gz VSUXXOZOZYSWJX-BGTYHANMSA-N 2 1 351.491 0.855 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259700 863366951 /nfs/dbraw/zinc/36/69/51/863366951.db2.gz YVEOBYABCSJRSZ-YOEHRIQHSA-N 2 1 350.482 0.515 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259700 863366968 /nfs/dbraw/zinc/36/69/68/863366968.db2.gz YVEOBYABCSJRSZ-YOEHRIQHSA-N 2 1 350.482 0.515 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001282307133 864180907 /nfs/dbraw/zinc/18/09/07/864180907.db2.gz SPCJEQROLAQEFA-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001282307133 864180913 /nfs/dbraw/zinc/18/09/13/864180913.db2.gz SPCJEQROLAQEFA-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001282307133 864180924 /nfs/dbraw/zinc/18/09/24/864180924.db2.gz SPCJEQROLAQEFA-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001288980066 864835932 /nfs/dbraw/zinc/83/59/32/864835932.db2.gz PFPSTHYCOGKPDL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001288980066 864835950 /nfs/dbraw/zinc/83/59/50/864835950.db2.gz PFPSTHYCOGKPDL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001288980066 864835966 /nfs/dbraw/zinc/83/59/66/864835966.db2.gz PFPSTHYCOGKPDL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001289500046 865102306 /nfs/dbraw/zinc/10/23/06/865102306.db2.gz RXECTIMQPORFMH-INMHGKMJSA-N 2 1 356.511 0.256 20 0 FCADMP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290857781 865531212 /nfs/dbraw/zinc/53/12/12/865531212.db2.gz PEOFXWZACMXWOD-KRWDZBQOSA-N 2 1 350.511 0.964 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294457491 865836647 /nfs/dbraw/zinc/83/66/47/865836647.db2.gz MQZDKCATKUOJGI-FUHWJXTLSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294457491 865836655 /nfs/dbraw/zinc/83/66/55/865836655.db2.gz MQZDKCATKUOJGI-FUHWJXTLSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294457491 865836667 /nfs/dbraw/zinc/83/66/67/865836667.db2.gz MQZDKCATKUOJGI-FUHWJXTLSA-N 2 1 350.511 0.821 20 0 FCADMP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304860001 866556021 /nfs/dbraw/zinc/55/60/21/866556021.db2.gz FWTHOFVBBJESPZ-RDJZCZTQSA-N 2 1 366.535 0.545 20 0 FCADMP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304860001 866556046 /nfs/dbraw/zinc/55/60/46/866556046.db2.gz FWTHOFVBBJESPZ-RDJZCZTQSA-N 2 1 366.535 0.545 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CCNC3=S)CC2)CC1 ZINC001306135983 866605851 /nfs/dbraw/zinc/60/58/51/866605851.db2.gz HIDRMTGDECMIEG-UHFFFAOYSA-N 2 1 367.563 0.489 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001350742638 866675119 /nfs/dbraw/zinc/67/51/19/866675119.db2.gz HKJICERPPUOYDV-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001311531501 867109464 /nfs/dbraw/zinc/10/94/64/867109464.db2.gz ABWKXERNBQUJBQ-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001311531501 867109471 /nfs/dbraw/zinc/10/94/71/867109471.db2.gz ABWKXERNBQUJBQ-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001311531501 867109484 /nfs/dbraw/zinc/10/94/84/867109484.db2.gz ABWKXERNBQUJBQ-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001353448252 867424800 /nfs/dbraw/zinc/42/48/00/867424800.db2.gz OPFSKICNBYDHMR-ZJPYXAASSA-N 2 1 351.491 0.857 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758713 867459769 /nfs/dbraw/zinc/45/97/69/867459769.db2.gz MQAOVSFVLPHNIE-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758713 867459776 /nfs/dbraw/zinc/45/97/76/867459776.db2.gz MQAOVSFVLPHNIE-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758713 867459783 /nfs/dbraw/zinc/45/97/83/867459783.db2.gz MQAOVSFVLPHNIE-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001318975594 867794114 /nfs/dbraw/zinc/79/41/14/867794114.db2.gz XIHSVEULNGJQEO-DOTOQJQBSA-N 2 1 353.511 0.032 20 0 FCADMP NC(=O)C[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CC(N)=O)C2)C1 ZINC001319829971 868014214 /nfs/dbraw/zinc/01/42/14/868014214.db2.gz IYCBZEQMEMLJCI-HZPDHXFCSA-N 2 1 354.495 0.178 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608433 868031628 /nfs/dbraw/zinc/03/16/28/868031628.db2.gz NZOQZKQGEQYAEI-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001320839115 868293665 /nfs/dbraw/zinc/29/36/65/868293665.db2.gz LNUDMEMXKXSLOZ-UHFFFAOYSA-N 2 1 351.451 0.409 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546641 868511278 /nfs/dbraw/zinc/51/12/78/868511278.db2.gz HNEVHHDLXSHDCI-WMLDXEAASA-N 2 1 354.520 0.237 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001321612428 868539010 /nfs/dbraw/zinc/53/90/10/868539010.db2.gz QOORCTXOAOHUJP-CXAGYDPISA-N 2 1 367.519 0.497 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001322551483 868856261 /nfs/dbraw/zinc/85/62/61/868856261.db2.gz PNLSZUMUFOKYPX-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001323508036 869231651 /nfs/dbraw/zinc/23/16/51/869231651.db2.gz CCJXUQIIKJUBNJ-XYPWUTKMSA-N 2 1 351.495 0.463 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001323508036 869231661 /nfs/dbraw/zinc/23/16/61/869231661.db2.gz CCJXUQIIKJUBNJ-XYPWUTKMSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1)CS(C)(=O)=O ZINC001325741118 870013379 /nfs/dbraw/zinc/01/33/79/870013379.db2.gz VNHLVSRXWVEPIH-DMRKSPOLSA-N 2 1 371.547 0.398 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC001325830568 870051294 /nfs/dbraw/zinc/05/12/94/870051294.db2.gz XUQXZPFHEBJUDB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001326882518 870550347 /nfs/dbraw/zinc/55/03/47/870550347.db2.gz DVUSIVCPJVTEBP-GJYPPUQNSA-N 2 1 350.507 0.764 20 0 FCADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@@H]21 ZINC001344715640 870991637 /nfs/dbraw/zinc/99/16/37/870991637.db2.gz OKLLDLVPANBFHH-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@@H]21 ZINC001344715640 870991647 /nfs/dbraw/zinc/99/16/47/870991647.db2.gz OKLLDLVPANBFHH-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@@H]21 ZINC001344715639 870992040 /nfs/dbraw/zinc/99/20/40/870992040.db2.gz OKLLDLVPANBFHH-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@@H]21 ZINC001344715639 870992060 /nfs/dbraw/zinc/99/20/60/870992060.db2.gz OKLLDLVPANBFHH-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1cc(N2CCC([NH2+]CC3(O)CCS(=O)(=O)CC3)CC2)nc(C)[nH+]1 ZINC001327976831 871166698 /nfs/dbraw/zinc/16/66/98/871166698.db2.gz AELBPIJGEHISKC-UHFFFAOYSA-N 2 1 368.503 0.592 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328846841 871663103 /nfs/dbraw/zinc/66/31/03/871663103.db2.gz VSSWOARTYBUQSC-BZSNNMDCSA-N 2 1 352.523 0.759 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606328 871928097 /nfs/dbraw/zinc/92/80/97/871928097.db2.gz KKTFQOMPHSDIPW-HRCADAONSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346606328 871928115 /nfs/dbraw/zinc/92/81/15/871928115.db2.gz KKTFQOMPHSDIPW-HRCADAONSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346606328 871928137 /nfs/dbraw/zinc/92/81/37/871928137.db2.gz KKTFQOMPHSDIPW-HRCADAONSA-N 2 1 355.527 0.107 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nnnn1C ZINC001346916390 872061194 /nfs/dbraw/zinc/06/11/94/872061194.db2.gz FALUVNYZHWDXEU-KBPBESRZSA-N 2 1 352.487 0.329 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001347187298 872208904 /nfs/dbraw/zinc/20/89/04/872208904.db2.gz QESATBOAJOUEEY-DOTOQJQBSA-N 2 1 353.511 0.127 20 0 FCADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001330006951 872415505 /nfs/dbraw/zinc/41/55/05/872415505.db2.gz CVRLSMILIIUXAI-GVDBMIGSSA-N 2 1 353.532 0.871 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330776816 872808641 /nfs/dbraw/zinc/80/86/41/872808641.db2.gz AXHUMXLISSOANU-BBRMVZONSA-N 2 1 350.467 0.100 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@@H]1C ZINC001348852743 872813063 /nfs/dbraw/zinc/81/30/63/872813063.db2.gz OLSWCKBZHANGSJ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@@H]1C ZINC001348852743 872813068 /nfs/dbraw/zinc/81/30/68/872813068.db2.gz OLSWCKBZHANGSJ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119789 872968159 /nfs/dbraw/zinc/96/81/59/872968159.db2.gz PXTJMZKWAJSQCG-VIQHNZTISA-N 2 1 350.507 0.870 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001331138755 872978154 /nfs/dbraw/zinc/97/81/54/872978154.db2.gz CMLXBJNINDIOEV-VNQPRFMTSA-N 2 1 354.495 0.093 20 0 FCADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331423617 873102549 /nfs/dbraw/zinc/10/25/49/873102549.db2.gz AQVXCNKQJCQXPP-ZWKOTPCHSA-N 2 1 354.539 0.910 20 0 FCADMP CC[NH+](CC)C[C@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001332954509 873732574 /nfs/dbraw/zinc/73/25/74/873732574.db2.gz NWWRJCUNKSNHSL-MRXNPFEDSA-N 2 1 351.499 0.564 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001333180164 873840357 /nfs/dbraw/zinc/84/03/57/873840357.db2.gz YEZVUUINRBBDMO-HOCLYGCPSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001333180164 873840376 /nfs/dbraw/zinc/84/03/76/873840376.db2.gz YEZVUUINRBBDMO-HOCLYGCPSA-N 2 1 364.515 0.574 20 0 FCADMP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000826167516 947529901 /nfs/dbraw/zinc/52/99/01/947529901.db2.gz HLGXEDQVOXPPEL-UHFFFAOYSA-N 2 1 359.478 0.945 20 0 FCADMP OCC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)COC1 ZINC000826508623 948429019 /nfs/dbraw/zinc/42/90/19/948429019.db2.gz WFIFWWLZYULCKH-UHFFFAOYSA-N 2 1 358.446 0.430 20 0 FCADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263596 949402509 /nfs/dbraw/zinc/40/25/09/949402509.db2.gz IHWYWICMFHODOI-SUMWQHHRSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263595 949403882 /nfs/dbraw/zinc/40/38/82/949403882.db2.gz IHWYWICMFHODOI-GUYCJALGSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706317 949455069 /nfs/dbraw/zinc/45/50/69/949455069.db2.gz LZIFSVLEVUDJHH-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706313 949455414 /nfs/dbraw/zinc/45/54/14/949455414.db2.gz LZIFSVLEVUDJHH-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709209 949500554 /nfs/dbraw/zinc/50/05/54/949500554.db2.gz YNDDEZGKWPKJQF-BBRMVZONSA-N 2 1 372.477 0.815 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711888 949559798 /nfs/dbraw/zinc/55/97/98/949559798.db2.gz NLTAJJQQSNZUPG-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711888 949559810 /nfs/dbraw/zinc/55/98/10/949559810.db2.gz NLTAJJQQSNZUPG-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574956753 949586977 /nfs/dbraw/zinc/58/69/77/949586977.db2.gz MXWIAOLZSQGZKB-UMVBOHGHSA-N 2 1 357.462 0.801 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196459 950363998 /nfs/dbraw/zinc/36/39/98/950363998.db2.gz FAHOEVJSRVCRJY-KBPBESRZSA-N 2 1 370.461 0.286 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205318 950508498 /nfs/dbraw/zinc/50/84/98/950508498.db2.gz XBVBSSKKWHHKNN-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205318 950508507 /nfs/dbraw/zinc/50/85/07/950508507.db2.gz XBVBSSKKWHHKNN-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205318 950508524 /nfs/dbraw/zinc/50/85/24/950508524.db2.gz XBVBSSKKWHHKNN-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096141 951818795 /nfs/dbraw/zinc/81/87/95/951818795.db2.gz ZMQXDNXNKIHHTM-CZUORRHYSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099810 951840019 /nfs/dbraw/zinc/84/00/19/951840019.db2.gz OXBMAAIJWJXPQV-AAEUAGOBSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105242 951891110 /nfs/dbraw/zinc/89/11/10/951891110.db2.gz IHGXHCGHPHYCSW-CJNGLKHVSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105242 951891117 /nfs/dbraw/zinc/89/11/17/951891117.db2.gz IHGXHCGHPHYCSW-CJNGLKHVSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575110236 951937111 /nfs/dbraw/zinc/93/71/11/951937111.db2.gz YKKKCQSBZWCABD-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113892 951949734 /nfs/dbraw/zinc/94/97/34/951949734.db2.gz HRVRBMVUKDFHKD-XJKSGUPXSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571104812 952382569 /nfs/dbraw/zinc/38/25/69/952382569.db2.gz CQXSQAXIGGOKSB-XJKCOSOUSA-N 2 1 373.436 0.837 20 0 FCADMP CN(C)S(=O)(=O)NCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291446042 214035306 /nfs/dbraw/zinc/03/53/06/214035306.db2.gz LFJNVMHDMZBJPE-UHFFFAOYSA-N 2 1 372.510 0.818 20 0 FCADMP Cc1nccn1C[C@H](C)CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000265728861 210208893 /nfs/dbraw/zinc/20/88/93/210208893.db2.gz JULNYVWUIDCCJS-UKRRQHHQSA-N 2 1 350.467 0.467 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000265728861 210208898 /nfs/dbraw/zinc/20/88/98/210208898.db2.gz JULNYVWUIDCCJS-UKRRQHHQSA-N 2 1 350.467 0.467 20 0 FCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410571387 529861683 /nfs/dbraw/zinc/86/16/83/529861683.db2.gz KISZVHRTHKPFRR-QGZVFWFLSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410571387 529861685 /nfs/dbraw/zinc/86/16/85/529861685.db2.gz KISZVHRTHKPFRR-QGZVFWFLSA-N 2 1 362.518 0.873 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410558160 529886324 /nfs/dbraw/zinc/88/63/24/529886324.db2.gz POAYTZMMIHLPHD-IBGZPJMESA-N 2 1 350.507 0.875 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410442407 529907607 /nfs/dbraw/zinc/90/76/07/529907607.db2.gz ZWDBHUJIEAWYRT-UHFFFAOYSA-N 2 1 368.522 0.357 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC[C@H]21 ZINC000410951731 530064926 /nfs/dbraw/zinc/06/49/26/530064926.db2.gz GDHJMVCSPXIKRI-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951731 530064927 /nfs/dbraw/zinc/06/49/27/530064927.db2.gz GDHJMVCSPXIKRI-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951731 530064928 /nfs/dbraw/zinc/06/49/28/530064928.db2.gz GDHJMVCSPXIKRI-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CC[C@@H]21 ZINC000410720134 530058247 /nfs/dbraw/zinc/05/82/47/530058247.db2.gz QITMTGRJBMZODC-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000331600747 215021853 /nfs/dbraw/zinc/02/18/53/215021853.db2.gz ZRZGRAOLSNWCAG-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331648845 215029307 /nfs/dbraw/zinc/02/93/07/215029307.db2.gz JZEHARSJHGGBPK-RKVPGOIHSA-N 2 1 368.547 0.625 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331648845 215029308 /nfs/dbraw/zinc/02/93/08/215029308.db2.gz JZEHARSJHGGBPK-RKVPGOIHSA-N 2 1 368.547 0.625 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCCCC1 ZINC000331711143 215038065 /nfs/dbraw/zinc/03/80/65/215038065.db2.gz KUYXLYZIBAOEPO-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000331859592 215058547 /nfs/dbraw/zinc/05/85/47/215058547.db2.gz FRBWVXIBDYROOA-SFHVURJKSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000331859592 215058553 /nfs/dbraw/zinc/05/85/53/215058553.db2.gz FRBWVXIBDYROOA-SFHVURJKSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000331859592 215058557 /nfs/dbraw/zinc/05/85/57/215058557.db2.gz FRBWVXIBDYROOA-SFHVURJKSA-N 2 1 353.507 0.935 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000332017044 215080035 /nfs/dbraw/zinc/08/00/35/215080035.db2.gz LDEDEFOTWLUJRU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000332017044 215080036 /nfs/dbraw/zinc/08/00/36/215080036.db2.gz LDEDEFOTWLUJRU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000332017044 215080039 /nfs/dbraw/zinc/08/00/39/215080039.db2.gz LDEDEFOTWLUJRU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000332017044 215080041 /nfs/dbraw/zinc/08/00/41/215080041.db2.gz LDEDEFOTWLUJRU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000332016043 215080338 /nfs/dbraw/zinc/08/03/38/215080338.db2.gz UXIRKYLBGHMTGQ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000332016043 215080341 /nfs/dbraw/zinc/08/03/41/215080341.db2.gz UXIRKYLBGHMTGQ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332016043 215080343 /nfs/dbraw/zinc/08/03/43/215080343.db2.gz UXIRKYLBGHMTGQ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332016043 215080346 /nfs/dbraw/zinc/08/03/46/215080346.db2.gz UXIRKYLBGHMTGQ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332212388 215110599 /nfs/dbraw/zinc/11/05/99/215110599.db2.gz KAERKAKMJRQTPN-HRCADAONSA-N 2 1 366.506 0.141 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248953 215116163 /nfs/dbraw/zinc/11/61/63/215116163.db2.gz CBPMACIADSIEGK-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1C ZINC000332256068 215117176 /nfs/dbraw/zinc/11/71/76/215117176.db2.gz CSKDWMQYLUFIQJ-VIQHNZTISA-N 2 1 350.507 0.903 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332293315 215123564 /nfs/dbraw/zinc/12/35/64/215123564.db2.gz NSTNODSHKDHNLU-CVYDXHPNSA-N 2 1 358.486 0.913 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332293315 215123565 /nfs/dbraw/zinc/12/35/65/215123565.db2.gz NSTNODSHKDHNLU-CVYDXHPNSA-N 2 1 358.486 0.913 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000332293319 215124372 /nfs/dbraw/zinc/12/43/72/215124372.db2.gz NSTNODSHKDHNLU-MUQADHOPSA-N 2 1 358.486 0.913 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000332293319 215124373 /nfs/dbraw/zinc/12/43/73/215124373.db2.gz NSTNODSHKDHNLU-MUQADHOPSA-N 2 1 358.486 0.913 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332375781 215140201 /nfs/dbraw/zinc/14/02/01/215140201.db2.gz RMGZSXNDGWMQJZ-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332462416 215156336 /nfs/dbraw/zinc/15/63/36/215156336.db2.gz JPDGJKKMVWGJBF-ARFHVFGLSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332528635 215169059 /nfs/dbraw/zinc/16/90/59/215169059.db2.gz GERIDTXIRSKTKA-HOCLYGCPSA-N 2 1 352.479 0.038 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C2)C1 ZINC000333318342 215262592 /nfs/dbraw/zinc/26/25/92/215262592.db2.gz MPNUTYZKFPSENW-GOSISDBHSA-N 2 1 359.478 0.836 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333291361 215259357 /nfs/dbraw/zinc/25/93/57/215259357.db2.gz OSUPNTVAPDLTSC-LPHOPBHVSA-N 2 1 364.490 0.054 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333300818 215261375 /nfs/dbraw/zinc/26/13/75/215261375.db2.gz IVLJLJJCXNISNC-PXNSSMCTSA-N 2 1 372.517 0.987 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000333401805 215274635 /nfs/dbraw/zinc/27/46/35/215274635.db2.gz QBSRVYSVNJINCX-DLBZAZTESA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401805 215274638 /nfs/dbraw/zinc/27/46/38/215274638.db2.gz QBSRVYSVNJINCX-DLBZAZTESA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401805 215274642 /nfs/dbraw/zinc/27/46/42/215274642.db2.gz QBSRVYSVNJINCX-DLBZAZTESA-N 2 1 365.522 0.570 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333482488 215287396 /nfs/dbraw/zinc/28/73/96/215287396.db2.gz FTLVKFGRJZWCKJ-IHXKFAGKSA-N 2 1 350.507 0.848 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333482488 215287400 /nfs/dbraw/zinc/28/74/00/215287400.db2.gz FTLVKFGRJZWCKJ-IHXKFAGKSA-N 2 1 350.507 0.848 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000333492681 215288474 /nfs/dbraw/zinc/28/84/74/215288474.db2.gz VCYJGKJPDWIDRK-CVEARBPZSA-N 2 1 374.489 0.709 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490588 215288732 /nfs/dbraw/zinc/28/87/32/215288732.db2.gz DGDIVXZQLQROBN-ZFWWWQNUSA-N 2 1 363.428 0.560 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000333494936 215289850 /nfs/dbraw/zinc/28/98/50/215289850.db2.gz DSZNXIFLJGYXPW-MCIONIFRSA-N 2 1 363.428 0.558 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555838 215296773 /nfs/dbraw/zinc/29/67/73/215296773.db2.gz KTZRJANWOZLJRA-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555838 215296775 /nfs/dbraw/zinc/29/67/75/215296775.db2.gz KTZRJANWOZLJRA-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333573397 215298248 /nfs/dbraw/zinc/29/82/48/215298248.db2.gz MSWVOUIFSMLHKR-JKSUJKDBSA-N 2 1 354.495 0.779 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333593380 215299304 /nfs/dbraw/zinc/29/93/04/215299304.db2.gz BFUNBFTXOQTUNG-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333593380 215299306 /nfs/dbraw/zinc/29/93/06/215299306.db2.gz BFUNBFTXOQTUNG-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000333639483 215303883 /nfs/dbraw/zinc/30/38/83/215303883.db2.gz HWKVOZRLXSMPOJ-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@@H+]1C1CC1 ZINC000333653432 215305563 /nfs/dbraw/zinc/30/55/63/215305563.db2.gz VGEIEDAOYVWMRV-HZPDHXFCSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@H+]1C1CC1 ZINC000333653432 215305567 /nfs/dbraw/zinc/30/55/67/215305567.db2.gz VGEIEDAOYVWMRV-HZPDHXFCSA-N 2 1 366.506 0.792 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333661431 215306042 /nfs/dbraw/zinc/30/60/42/215306042.db2.gz WMCNEQAGXYOFEA-IAGOWNOFSA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333661431 215306043 /nfs/dbraw/zinc/30/60/43/215306043.db2.gz WMCNEQAGXYOFEA-IAGOWNOFSA-N 2 1 368.522 0.896 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333692811 215309409 /nfs/dbraw/zinc/30/94/09/215309409.db2.gz CEGIHGKRPRJWDW-UHFFFAOYSA-N 2 1 354.495 0.605 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333692811 215309413 /nfs/dbraw/zinc/30/94/13/215309413.db2.gz CEGIHGKRPRJWDW-UHFFFAOYSA-N 2 1 354.495 0.605 20 0 FCADMP COCC1(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000333758509 215316175 /nfs/dbraw/zinc/31/61/75/215316175.db2.gz AETXSIUCFHEEHD-CVEARBPZSA-N 2 1 354.495 0.365 20 0 FCADMP COCC1(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000333758538 215316370 /nfs/dbraw/zinc/31/63/70/215316370.db2.gz AETXSIUCFHEEHD-JKSUJKDBSA-N 2 1 354.495 0.365 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)C[C@H](C)O1 ZINC000333768816 215317587 /nfs/dbraw/zinc/31/75/87/215317587.db2.gz BRTHIMKPFAIHIW-SOLBZPMBSA-N 2 1 368.522 0.896 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333824304 215322450 /nfs/dbraw/zinc/32/24/50/215322450.db2.gz LIPFAKGKNYZZKN-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333824304 215322454 /nfs/dbraw/zinc/32/24/54/215322454.db2.gz LIPFAKGKNYZZKN-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333816036 215321165 /nfs/dbraw/zinc/32/11/65/215321165.db2.gz KCWDHMUHJBPMFR-NUJGCVRESA-N 2 1 365.522 0.759 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCCC1 ZINC000333849775 215324144 /nfs/dbraw/zinc/32/41/44/215324144.db2.gz WYYUTIQUUMGAAX-DLBZAZTESA-N 2 1 365.522 0.714 20 0 FCADMP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333838510 215324289 /nfs/dbraw/zinc/32/42/89/215324289.db2.gz NUFCXDDIXDMMBH-NUJGCVRESA-N 2 1 363.506 0.513 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000333864652 215326047 /nfs/dbraw/zinc/32/60/47/215326047.db2.gz SSSHUBYTDZEPMO-DLBZAZTESA-N 2 1 353.511 0.032 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000333864656 215325296 /nfs/dbraw/zinc/32/52/96/215325296.db2.gz SSSHUBYTDZEPMO-IRXDYDNUSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907221 215329697 /nfs/dbraw/zinc/32/96/97/215329697.db2.gz VQAKNAWZUNNSAV-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907221 215329701 /nfs/dbraw/zinc/32/97/01/215329701.db2.gz VQAKNAWZUNNSAV-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000333907221 215329693 /nfs/dbraw/zinc/32/96/93/215329693.db2.gz VQAKNAWZUNNSAV-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@H](C)[N@@H+]1CCO ZINC000334000377 215336047 /nfs/dbraw/zinc/33/60/47/215336047.db2.gz RELUAWDGGFHNBM-CIRFHOKZSA-N 2 1 368.522 0.461 20 0 FCADMP C[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)(N2CCOCC2)CC1 ZINC000334134121 215347664 /nfs/dbraw/zinc/34/76/64/215347664.db2.gz WYZVCEHSVIWMOJ-QGZVFWFLSA-N 2 1 365.522 0.273 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000285168395 213295088 /nfs/dbraw/zinc/29/50/88/213295088.db2.gz UUHQKQGEPKLSBO-OAHLLOKOSA-N 2 1 373.501 0.934 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000285127332 213288741 /nfs/dbraw/zinc/28/87/41/213288741.db2.gz YHYNHCLGUXMTNV-CYBMUJFWSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@H+]1CCc2sccc2C1 ZINC000285127332 213288745 /nfs/dbraw/zinc/28/87/45/213288745.db2.gz YHYNHCLGUXMTNV-CYBMUJFWSA-N 2 1 364.515 0.821 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)[N@@H+](C)C1 ZINC000285046988 213272376 /nfs/dbraw/zinc/27/23/76/213272376.db2.gz JETRQJDVGQCRNY-HOTGVXAUSA-N 2 1 350.463 0.813 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000284919807 213248424 /nfs/dbraw/zinc/24/84/24/213248424.db2.gz INEOFJVAQYPLSC-UHFFFAOYSA-N 2 1 362.474 0.454 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284887460 213240349 /nfs/dbraw/zinc/24/03/49/213240349.db2.gz LPMYGXBKSYTSDU-SFHVURJKSA-N 2 1 373.501 0.763 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284446563 213142152 /nfs/dbraw/zinc/14/21/52/213142152.db2.gz PNZHPDQHRGHYJX-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284446563 213142156 /nfs/dbraw/zinc/14/21/56/213142156.db2.gz PNZHPDQHRGHYJX-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000284411557 213134229 /nfs/dbraw/zinc/13/42/29/213134229.db2.gz BPMKGZPIIFAVGH-UHFFFAOYSA-N 2 1 359.474 0.625 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000284386471 213127295 /nfs/dbraw/zinc/12/72/95/213127295.db2.gz HMINGGJPAKTREU-UHFFFAOYSA-N 2 1 362.474 0.454 20 0 FCADMP COC(=O)CN(CCN1CCN(C)CC1)Cc1cn2cc(C)ccc2n1 ZINC000284217936 213099489 /nfs/dbraw/zinc/09/94/89/213099489.db2.gz COPLPUIJNJVJDQ-UHFFFAOYSA-N 2 1 359.474 0.865 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000283959638 213043254 /nfs/dbraw/zinc/04/32/54/213043254.db2.gz HYGFOCQOVQCMOX-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000283959638 213043256 /nfs/dbraw/zinc/04/32/56/213043256.db2.gz HYGFOCQOVQCMOX-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000283959638 213043260 /nfs/dbraw/zinc/04/32/60/213043260.db2.gz HYGFOCQOVQCMOX-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000283946145 213040770 /nfs/dbraw/zinc/04/07/70/213040770.db2.gz FHQKCXIYYOHSSA-MRXNPFEDSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C[NH+]1CCCC1 ZINC000283903513 213032507 /nfs/dbraw/zinc/03/25/07/213032507.db2.gz OVWPCZATFRSHGQ-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000283832665 213015604 /nfs/dbraw/zinc/01/56/04/213015604.db2.gz BLPJYFRGGFUIRG-ARFHVFGLSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000283832665 213015606 /nfs/dbraw/zinc/01/56/06/213015606.db2.gz BLPJYFRGGFUIRG-ARFHVFGLSA-N 2 1 362.474 0.941 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000283822505 213012506 /nfs/dbraw/zinc/01/25/06/213012506.db2.gz YRSOBBUBKQFQFD-UHFFFAOYSA-N 2 1 352.454 0.832 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)n1C ZINC000283665994 212990937 /nfs/dbraw/zinc/99/09/37/212990937.db2.gz YMYZBEQQVFKVFB-UHFFFAOYSA-N 2 1 350.467 0.095 20 0 FCADMP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000367043047 216067328 /nfs/dbraw/zinc/06/73/28/216067328.db2.gz MWDXQWDWKDDKDR-QGZVFWFLSA-N 2 1 360.568 0.805 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168209 216085998 /nfs/dbraw/zinc/08/59/98/216085998.db2.gz OHUDMUHXLIFTRL-QUCCMNQESA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168209 216086001 /nfs/dbraw/zinc/08/60/01/216086001.db2.gz OHUDMUHXLIFTRL-QUCCMNQESA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@@H](C)C1 ZINC000367591516 216140599 /nfs/dbraw/zinc/14/05/99/216140599.db2.gz ZWGSFUMLKONGGB-WNRNVDISSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@@H](C)C1 ZINC000367591516 216140601 /nfs/dbraw/zinc/14/06/01/216140601.db2.gz ZWGSFUMLKONGGB-WNRNVDISSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367648376 216145745 /nfs/dbraw/zinc/14/57/45/216145745.db2.gz HTPSDNZMSGMYJA-HNNXBMFYSA-N 2 1 359.536 0.782 20 0 FCADMP CCC(CC)[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000367691582 216150278 /nfs/dbraw/zinc/15/02/78/216150278.db2.gz VJXCAARHOAXBDJ-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N=c1nc[nH]n1C ZINC000367763513 216158935 /nfs/dbraw/zinc/15/89/35/216158935.db2.gz NHTNDTCYYFDNPY-UHFFFAOYSA-N 2 1 363.510 0.897 20 0 FCADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000367999773 216190822 /nfs/dbraw/zinc/19/08/22/216190822.db2.gz VYJQCCHNNIKRHF-LZWOXQAQSA-N 2 1 355.479 0.615 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC000246529960 209388740 /nfs/dbraw/zinc/38/87/40/209388740.db2.gz WNABXEBMODNAIL-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1=O ZINC000246529960 209388743 /nfs/dbraw/zinc/38/87/43/209388743.db2.gz WNABXEBMODNAIL-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1=O ZINC000246529960 209388737 /nfs/dbraw/zinc/38/87/37/209388737.db2.gz WNABXEBMODNAIL-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000246178418 209381838 /nfs/dbraw/zinc/38/18/38/209381838.db2.gz BVUGCQXDOWZMKY-VQHPVUNQSA-N 2 1 350.507 0.953 20 0 FCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246145410 209379001 /nfs/dbraw/zinc/37/90/01/209379001.db2.gz OHGSAYIORONHFA-BBWFWOEESA-N 2 1 354.495 0.459 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246145410 209379005 /nfs/dbraw/zinc/37/90/05/209379005.db2.gz OHGSAYIORONHFA-BBWFWOEESA-N 2 1 354.495 0.459 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000245912083 209375633 /nfs/dbraw/zinc/37/56/33/209375633.db2.gz RJPKYIJSOJVRDG-QZTJIDSGSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245912083 209375636 /nfs/dbraw/zinc/37/56/36/209375636.db2.gz RJPKYIJSOJVRDG-QZTJIDSGSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245912083 209375642 /nfs/dbraw/zinc/37/56/42/209375642.db2.gz RJPKYIJSOJVRDG-QZTJIDSGSA-N 2 1 364.490 0.499 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000245706059 209374165 /nfs/dbraw/zinc/37/41/65/209374165.db2.gz OGGAXRPEBCKWHE-QZTJIDSGSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245706059 209374167 /nfs/dbraw/zinc/37/41/67/209374167.db2.gz OGGAXRPEBCKWHE-QZTJIDSGSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000245706059 209374170 /nfs/dbraw/zinc/37/41/70/209374170.db2.gz OGGAXRPEBCKWHE-QZTJIDSGSA-N 2 1 353.507 0.983 20 0 FCADMP C[NH+](C)CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000368290463 216227356 /nfs/dbraw/zinc/22/73/56/216227356.db2.gz NSXQBWHGBNRZHN-CABCVRRESA-N 2 1 368.503 0.728 20 0 FCADMP C[NH2+]CCCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000237188089 209349456 /nfs/dbraw/zinc/34/94/56/209349456.db2.gz XVUDQXCSHVEVJL-UHFFFAOYSA-N 2 1 362.474 0.963 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000236832842 209344315 /nfs/dbraw/zinc/34/43/15/209344315.db2.gz QFZUWASOWOVTJW-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368705332 216285212 /nfs/dbraw/zinc/28/52/12/216285212.db2.gz ZRRATLFROAKYNH-BZUAXINKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368705332 216285214 /nfs/dbraw/zinc/28/52/14/216285214.db2.gz ZRRATLFROAKYNH-BZUAXINKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368705332 216285216 /nfs/dbraw/zinc/28/52/16/216285216.db2.gz ZRRATLFROAKYNH-BZUAXINKSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000368966181 216325623 /nfs/dbraw/zinc/32/56/23/216325623.db2.gz NPPGAXLKZWDQLM-BMFAXAFESA-N 2 1 358.486 0.991 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000368966181 216325625 /nfs/dbraw/zinc/32/56/25/216325625.db2.gz NPPGAXLKZWDQLM-BMFAXAFESA-N 2 1 358.486 0.991 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCOC[C@@H]3C)CC2)CC1 ZINC000191489255 209286022 /nfs/dbraw/zinc/28/60/22/209286022.db2.gz CFNXZNOLBCBBOG-SFHVURJKSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@H](O)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CO ZINC000190812803 209276838 /nfs/dbraw/zinc/27/68/38/209276838.db2.gz LUJNUXMAHRYKLW-IRXDYDNUSA-N 2 1 363.502 0.962 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2)CC1 ZINC000189695351 209257787 /nfs/dbraw/zinc/25/77/87/209257787.db2.gz DHZKOVPKLBZTRV-KRWDZBQOSA-N 2 1 360.502 0.967 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000189563566 209255921 /nfs/dbraw/zinc/25/59/21/209255921.db2.gz VCOYPTCJWAAUNM-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000189461626 209251582 /nfs/dbraw/zinc/25/15/82/209251582.db2.gz HJPSJCCQVCPMCM-MRXNPFEDSA-N 2 1 354.539 0.752 20 0 FCADMP C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189303823 209248977 /nfs/dbraw/zinc/24/89/77/209248977.db2.gz MQOYCELAUWBYJC-BJLQDIEVSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189303823 209248980 /nfs/dbraw/zinc/24/89/80/209248980.db2.gz MQOYCELAUWBYJC-BJLQDIEVSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000188159596 209224554 /nfs/dbraw/zinc/22/45/54/209224554.db2.gz LEQQCARFWIXGKN-RXVVDRJESA-N 2 1 374.529 0.718 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000188159596 209224557 /nfs/dbraw/zinc/22/45/57/209224557.db2.gz LEQQCARFWIXGKN-RXVVDRJESA-N 2 1 374.529 0.718 20 0 FCADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1(C)C ZINC000188122968 209223437 /nfs/dbraw/zinc/22/34/37/209223437.db2.gz QJDILPBXNNZDFA-QFBILLFUSA-N 2 1 354.539 0.909 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000187947313 209221525 /nfs/dbraw/zinc/22/15/25/209221525.db2.gz NXMHSBVAOWJERE-OKZBNKHCSA-N 2 1 374.485 0.377 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000187169142 209206903 /nfs/dbraw/zinc/20/69/03/209206903.db2.gz IEAZMZLKVIRWGZ-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000186638890 209194190 /nfs/dbraw/zinc/19/41/90/209194190.db2.gz IMLFLKRRGBGXHE-AEFFLSMTSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CO)[NH+](Cc1ccccc1C[N@H+](C[C@H](C)O)[C@H](C)CO)C[C@H](C)O ZINC000276216396 212188737 /nfs/dbraw/zinc/18/87/37/212188737.db2.gz PSPSBSZLYZIIIR-BDXSIMOUSA-N 2 1 368.518 0.814 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275932407 212122220 /nfs/dbraw/zinc/12/22/20/212122220.db2.gz YDJRGHXJLSQEGH-UHFFFAOYSA-N 2 1 350.463 0.160 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000414669822 245311545 /nfs/dbraw/zinc/31/15/45/245311545.db2.gz BYUYZMSMWYPWHR-OAHLLOKOSA-N 2 1 362.449 0.781 20 0 FCADMP [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000414730236 245315763 /nfs/dbraw/zinc/31/57/63/245315763.db2.gz AKANTJRPUZRVSW-HNNXBMFYSA-N 2 1 357.458 0.390 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000414866641 245324690 /nfs/dbraw/zinc/32/46/90/245324690.db2.gz FSSILVIFCSEKBR-OAHLLOKOSA-N 2 1 362.474 0.819 20 0 FCADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCC(=O)N1CCOCC1 ZINC000414874148 245331090 /nfs/dbraw/zinc/33/10/90/245331090.db2.gz IISPCFARTPCZFA-UHFFFAOYSA-N 2 1 363.458 0.904 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@@H]21 ZINC000414964588 245339461 /nfs/dbraw/zinc/33/94/61/245339461.db2.gz MLDXJCKCJSZFBK-YOEHRIQHSA-N 2 1 360.458 0.905 20 0 FCADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000415280190 245376257 /nfs/dbraw/zinc/37/62/57/245376257.db2.gz ZNGUBPLSPVIWNC-MRXNPFEDSA-N 2 1 360.458 0.714 20 0 FCADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000415280190 245376266 /nfs/dbraw/zinc/37/62/66/245376266.db2.gz ZNGUBPLSPVIWNC-MRXNPFEDSA-N 2 1 360.458 0.714 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000415330521 245386279 /nfs/dbraw/zinc/38/62/79/245386279.db2.gz ZITLFSHGOIJXTG-HNNXBMFYSA-N 2 1 360.458 0.840 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c1)C1CC1 ZINC000415328529 245386449 /nfs/dbraw/zinc/38/64/49/245386449.db2.gz MFZNXMUZZYQHTR-UHFFFAOYSA-N 2 1 373.501 0.283 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000415354845 245397205 /nfs/dbraw/zinc/39/72/05/245397205.db2.gz OAEPYAMVQOGLEF-FMKPAKJESA-N 2 1 360.458 0.794 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145989 217101611 /nfs/dbraw/zinc/10/16/11/217101611.db2.gz DKOXRYCMKCVJQU-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145989 217101614 /nfs/dbraw/zinc/10/16/14/217101614.db2.gz DKOXRYCMKCVJQU-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145989 217101617 /nfs/dbraw/zinc/10/16/17/217101617.db2.gz DKOXRYCMKCVJQU-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145990 217101791 /nfs/dbraw/zinc/10/17/91/217101791.db2.gz DKOXRYCMKCVJQU-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145990 217101792 /nfs/dbraw/zinc/10/17/92/217101792.db2.gz DKOXRYCMKCVJQU-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145990 217101794 /nfs/dbraw/zinc/10/17/94/217101794.db2.gz DKOXRYCMKCVJQU-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000374782355 217171812 /nfs/dbraw/zinc/17/18/12/217171812.db2.gz USHWHINNFVVDJK-HNNXBMFYSA-N 2 1 354.520 0.190 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000374782355 217171816 /nfs/dbraw/zinc/17/18/16/217171816.db2.gz USHWHINNFVVDJK-HNNXBMFYSA-N 2 1 354.520 0.190 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783215 217171859 /nfs/dbraw/zinc/17/18/59/217171859.db2.gz WGTHVKYRGKENEY-GOSISDBHSA-N 2 1 351.539 0.251 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000374783215 217171863 /nfs/dbraw/zinc/17/18/63/217171863.db2.gz WGTHVKYRGKENEY-GOSISDBHSA-N 3 1 351.539 0.251 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000374783215 217171867 /nfs/dbraw/zinc/17/18/67/217171867.db2.gz WGTHVKYRGKENEY-GOSISDBHSA-N 3 1 351.539 0.251 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000183088063 209140734 /nfs/dbraw/zinc/14/07/34/209140734.db2.gz BLJBTMDFMAQAFD-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)CN1CC[NH+](C)CC1 ZINC000183088063 209140738 /nfs/dbraw/zinc/14/07/38/209140738.db2.gz BLJBTMDFMAQAFD-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)CN1CC[NH+](C)CC1 ZINC000183088063 209140740 /nfs/dbraw/zinc/14/07/40/209140740.db2.gz BLJBTMDFMAQAFD-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182897898 209139280 /nfs/dbraw/zinc/13/92/80/209139280.db2.gz ZQGSLPYNDVMONX-PKOBYXMFSA-N 2 1 364.490 0.365 20 0 FCADMP C[C@H]1[NH2+]CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H]1C ZINC000416960430 245660138 /nfs/dbraw/zinc/66/01/38/245660138.db2.gz NZNGVPNJTZBDJZ-HZPDHXFCSA-N 2 1 361.494 0.381 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000417079748 245668842 /nfs/dbraw/zinc/66/88/42/245668842.db2.gz VYBKAVFSLCKGBS-TZMCWYRMSA-N 2 1 363.428 0.606 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000375741745 217305837 /nfs/dbraw/zinc/30/58/37/217305837.db2.gz GTCIACTYYAQVIR-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000375741745 217305841 /nfs/dbraw/zinc/30/58/41/217305841.db2.gz GTCIACTYYAQVIR-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375741745 217305845 /nfs/dbraw/zinc/30/58/45/217305845.db2.gz GTCIACTYYAQVIR-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000375741745 217305848 /nfs/dbraw/zinc/30/58/48/217305848.db2.gz GTCIACTYYAQVIR-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419128331 246002673 /nfs/dbraw/zinc/00/26/73/246002673.db2.gz AFSZGFHYNUYCBJ-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419129915 246004369 /nfs/dbraw/zinc/00/43/69/246004369.db2.gz DSBRYXXMJBMNAK-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419129913 246004540 /nfs/dbraw/zinc/00/45/40/246004540.db2.gz DSBRYXXMJBMNAK-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129263 246004770 /nfs/dbraw/zinc/00/47/70/246004770.db2.gz XXMWIFSUIJDCDG-SJORKVTESA-N 2 1 369.554 0.206 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129597 246005145 /nfs/dbraw/zinc/00/51/45/246005145.db2.gz YNVNDTLOVHLLLL-CVEARBPZSA-N 2 1 355.527 0.008 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419154327 246019492 /nfs/dbraw/zinc/01/94/92/246019492.db2.gz RHCHIAATADTGKF-KBPBESRZSA-N 2 1 352.504 0.787 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419131322 246006187 /nfs/dbraw/zinc/00/61/87/246006187.db2.gz GQEZLIVTOOMXCX-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419131825 246007260 /nfs/dbraw/zinc/00/72/60/246007260.db2.gz GYRRTRSCSGXGAO-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1[NH3+] ZINC000419162979 246025688 /nfs/dbraw/zinc/02/56/88/246025688.db2.gz IIWOXAHCGXIPKU-KBAYOESNSA-N 2 1 374.485 0.199 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)[nH+]1 ZINC000419137573 246010998 /nfs/dbraw/zinc/01/09/98/246010998.db2.gz QYRZKGFFYWORQR-GDBMZVCRSA-N 2 1 359.474 0.719 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)[nH+]1 ZINC000419143665 246014021 /nfs/dbraw/zinc/01/40/21/246014021.db2.gz ZKTFAKWNGXSLIS-CJNGLKHVSA-N 2 1 359.474 0.589 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419169000 246030867 /nfs/dbraw/zinc/03/08/67/246030867.db2.gz TXYUXXUKYUBUKA-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419167961 246031200 /nfs/dbraw/zinc/03/12/00/246031200.db2.gz JYNQCAPYGONCDA-RRFJBIMHSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172509 246032063 /nfs/dbraw/zinc/03/20/63/246032063.db2.gz ZCOIUJSVNAZQQG-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419170875 246033786 /nfs/dbraw/zinc/03/37/86/246033786.db2.gz ODOSKPQOUODXAN-ZWKOTPCHSA-N 2 1 358.486 0.535 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419176465 246034155 /nfs/dbraw/zinc/03/41/55/246034155.db2.gz ZFQLJXNJRGDOGC-CVEARBPZSA-N 2 1 354.495 0.333 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176116 246034486 /nfs/dbraw/zinc/03/44/86/246034486.db2.gz YQHLKAHPFDDWNB-FUHWJXTLSA-N 2 1 358.486 0.521 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215851 246060269 /nfs/dbraw/zinc/06/02/69/246060269.db2.gz ZMJXANABIGUPPZ-STQMWFEESA-N 2 1 366.428 0.820 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215851 246060271 /nfs/dbraw/zinc/06/02/71/246060271.db2.gz ZMJXANABIGUPPZ-STQMWFEESA-N 2 1 366.428 0.820 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000419219565 246062417 /nfs/dbraw/zinc/06/24/17/246062417.db2.gz UBFHHLNIPYSCST-OAHLLOKOSA-N 2 1 358.486 0.870 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419219577 246063092 /nfs/dbraw/zinc/06/30/92/246063092.db2.gz UDHGZWNPTSTANJ-KFWWJZLASA-N 2 1 362.474 0.375 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419227344 246063705 /nfs/dbraw/zinc/06/37/05/246063705.db2.gz FRKVCPMMCQNZMW-OAGGEKHMSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419227344 246063708 /nfs/dbraw/zinc/06/37/08/246063708.db2.gz FRKVCPMMCQNZMW-OAGGEKHMSA-N 2 1 358.486 0.758 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419227202 246065652 /nfs/dbraw/zinc/06/56/52/246065652.db2.gz JYAJEOPLKWAQQZ-SJORKVTESA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419228518 246067500 /nfs/dbraw/zinc/06/75/00/246067500.db2.gz GUTMCSCUIUQJHX-VYDXJSESSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419228518 246067505 /nfs/dbraw/zinc/06/75/05/246067505.db2.gz GUTMCSCUIUQJHX-VYDXJSESSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419228493 246067001 /nfs/dbraw/zinc/06/70/01/246067001.db2.gz GTCOTBYFMWBQGJ-YJBOKZPZSA-N 2 1 374.485 0.044 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419228493 246067007 /nfs/dbraw/zinc/06/70/07/246067007.db2.gz GTCOTBYFMWBQGJ-YJBOKZPZSA-N 2 1 374.485 0.044 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419233220 246070120 /nfs/dbraw/zinc/07/01/20/246070120.db2.gz VWRYLQKFZDMBHY-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419233282 246070441 /nfs/dbraw/zinc/07/04/41/246070441.db2.gz LJLBZJXIUJDUJF-HNNXBMFYSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419233282 246070444 /nfs/dbraw/zinc/07/04/44/246070444.db2.gz LJLBZJXIUJDUJF-HNNXBMFYSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419235544 246072226 /nfs/dbraw/zinc/07/22/26/246072226.db2.gz NEBKIKSZHKRXRZ-YJBOKZPZSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419235544 246072230 /nfs/dbraw/zinc/07/22/30/246072230.db2.gz NEBKIKSZHKRXRZ-YJBOKZPZSA-N 2 1 374.485 0.126 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419267217 246081225 /nfs/dbraw/zinc/08/12/25/246081225.db2.gz INHQEQWVBBXLHW-HNNXBMFYSA-N 2 1 362.474 0.107 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419267240 246081249 /nfs/dbraw/zinc/08/12/49/246081249.db2.gz IQPYDSWDPPRDOJ-MSOLQXFVSA-N 2 1 374.485 0.521 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419324839 246101477 /nfs/dbraw/zinc/10/14/77/246101477.db2.gz WDHUFCYGLPPZGJ-VNVHMNPZSA-N 2 1 374.460 0.820 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329934 246101872 /nfs/dbraw/zinc/10/18/72/246101872.db2.gz HKHXSDZRZAOWRK-PWUKJLEFSA-N 2 1 374.460 0.678 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000419358839 246115650 /nfs/dbraw/zinc/11/56/50/246115650.db2.gz QWDFLTVDSNYXHJ-KRWDZBQOSA-N 2 1 374.485 0.674 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419412374 246147339 /nfs/dbraw/zinc/14/73/39/246147339.db2.gz RCKSTUVHEKXMGC-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419415790 246150144 /nfs/dbraw/zinc/15/01/44/246150144.db2.gz GNVATMQLMRUJFD-QZTJIDSGSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399231 246134269 /nfs/dbraw/zinc/13/42/69/246134269.db2.gz JHLQWRMAFPYNJO-BMGDILEWSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399834 246134403 /nfs/dbraw/zinc/13/44/03/246134403.db2.gz ZTLWERMWBNWVBI-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399834 246134409 /nfs/dbraw/zinc/13/44/09/246134409.db2.gz ZTLWERMWBNWVBI-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419402145 246136347 /nfs/dbraw/zinc/13/63/47/246136347.db2.gz BHOIEANEHWFMJN-MSOLQXFVSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419404339 246138227 /nfs/dbraw/zinc/13/82/27/246138227.db2.gz FXLZXXKXTFZFEC-IGKNDFSCSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404533 246139866 /nfs/dbraw/zinc/13/98/66/246139866.db2.gz TXRJKYYWXLIKRN-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407751 246140771 /nfs/dbraw/zinc/14/07/71/246140771.db2.gz YZXUMPSJEDBKGU-BQFCYCMXSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419407948 246143077 /nfs/dbraw/zinc/14/30/77/246143077.db2.gz LALSANCJYGWWLP-DOTOQJQBSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000419411068 246143903 /nfs/dbraw/zinc/14/39/03/246143903.db2.gz PVLLPVJQYUPZDJ-ZFWWWQNUSA-N 2 1 352.504 0.925 20 0 FCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421775 246153806 /nfs/dbraw/zinc/15/38/06/246153806.db2.gz WAGYWVTYOHERFO-DLBZAZTESA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421775 246153812 /nfs/dbraw/zinc/15/38/12/246153812.db2.gz WAGYWVTYOHERFO-DLBZAZTESA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419419903 246151704 /nfs/dbraw/zinc/15/17/04/246151704.db2.gz ZOBNBLHIGXGLCZ-MSOLQXFVSA-N 2 1 374.485 0.126 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000419502699 246183286 /nfs/dbraw/zinc/18/32/86/246183286.db2.gz BONCTUAZKUDUQW-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505628 246184345 /nfs/dbraw/zinc/18/43/45/246184345.db2.gz LZPBGUMJQVGLOU-DLBZAZTESA-N 2 1 373.501 0.263 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CC1 ZINC000419522460 246190989 /nfs/dbraw/zinc/19/09/89/246190989.db2.gz MMOBWVNVFAYFBO-DLBZAZTESA-N 2 1 362.449 0.679 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451849 246172130 /nfs/dbraw/zinc/17/21/30/246172130.db2.gz NZWZGZPCFZUYLT-CVEARBPZSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419482363 246178647 /nfs/dbraw/zinc/17/86/47/246178647.db2.gz QIUYCISVWYZTGU-BBWFWOEESA-N 2 1 368.522 0.355 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537955 246194425 /nfs/dbraw/zinc/19/44/25/246194425.db2.gz WJCLRLMEVVDSBV-WZGPROSRSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419536465 246195174 /nfs/dbraw/zinc/19/51/74/246195174.db2.gz ULDPUTCXNXXOMY-LULLPPNCSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419536466 246195440 /nfs/dbraw/zinc/19/54/40/246195440.db2.gz ULDPUTCXNXXOMY-OWYHZJEWSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419558771 246201912 /nfs/dbraw/zinc/20/19/12/246201912.db2.gz OGUMXSKVGQRJNU-SJWGOKEGSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655129 246233034 /nfs/dbraw/zinc/23/30/34/246233034.db2.gz HFQZYCGBAAQWJK-NJAFHUGGSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655127 246234245 /nfs/dbraw/zinc/23/42/45/246234245.db2.gz HFQZYCGBAAQWJK-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419670126 246240157 /nfs/dbraw/zinc/24/01/57/246240157.db2.gz FRFBMMFHVQLSAW-PMPSAXMXSA-N 2 1 354.495 0.188 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000419691729 246251687 /nfs/dbraw/zinc/25/16/87/246251687.db2.gz ABKSHFFRWKPVJP-ULQDDVLXSA-N 2 1 366.506 0.204 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000419691728 246252279 /nfs/dbraw/zinc/25/22/79/246252279.db2.gz ABKSHFFRWKPVJP-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419695283 246255134 /nfs/dbraw/zinc/25/51/34/246255134.db2.gz KSWZHHWWEIMNET-YESZJQIVSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419701887 246256529 /nfs/dbraw/zinc/25/65/29/246256529.db2.gz BJHHSGLBPDECLS-XLMAVXFVSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419701910 246257465 /nfs/dbraw/zinc/25/74/65/246257465.db2.gz BLDPJDWPTXOPBM-ATLSCFEFSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419704101 246260155 /nfs/dbraw/zinc/26/01/55/246260155.db2.gz GABRMOHQNWYGNA-OXFYSEKESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419709951 246263279 /nfs/dbraw/zinc/26/32/79/246263279.db2.gz PSBPWWZLDBZZJS-BPQIPLTHSA-N 2 1 374.485 0.342 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H](C[NH3+])C1 ZINC000419717984 246267510 /nfs/dbraw/zinc/26/75/10/246267510.db2.gz ACWSEFNPTYLZRH-HRCADAONSA-N 2 1 352.479 0.084 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757884 246285123 /nfs/dbraw/zinc/28/51/23/246285123.db2.gz JFVMFMGIAQMSJU-DZGCQCFKSA-N 2 1 350.438 0.569 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000419755869 246286944 /nfs/dbraw/zinc/28/69/44/246286944.db2.gz FNARFYRWODLRHW-ZBFHGGJFSA-N 2 1 364.465 0.878 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419757789 246287269 /nfs/dbraw/zinc/28/72/69/246287269.db2.gz DCZVMSZNVOINJK-ZWKOTPCHSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000419766915 246290625 /nfs/dbraw/zinc/29/06/25/246290625.db2.gz ZMNFMYZJVPELDO-PBHICJAKSA-N 2 1 364.465 0.960 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419769100 246291389 /nfs/dbraw/zinc/29/13/89/246291389.db2.gz DACMQGRNUVCVIX-MJBXVCDLSA-N 2 1 354.495 0.452 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419720054 246270741 /nfs/dbraw/zinc/27/07/41/246270741.db2.gz DIHOLKTUAFKENU-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419829358 246309525 /nfs/dbraw/zinc/30/95/25/246309525.db2.gz PRSODWHDZVFDMY-DOTOQJQBSA-N 2 1 367.538 0.010 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419832240 246310784 /nfs/dbraw/zinc/31/07/84/246310784.db2.gz VOQBURQKQAKFGC-RLFYNMQTSA-N 2 1 374.485 0.472 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846086 246317863 /nfs/dbraw/zinc/31/78/63/246317863.db2.gz RALJRHKPVJASSG-QZTJIDSGSA-N 2 1 373.501 0.763 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419846201 246319094 /nfs/dbraw/zinc/31/90/94/246319094.db2.gz PIMUPWVJQZGJRH-UHFFFAOYSA-N 2 1 358.486 0.979 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419849542 246320939 /nfs/dbraw/zinc/32/09/39/246320939.db2.gz YMKSVLTXXFYXIL-UHFFFAOYSA-N 2 1 360.502 0.879 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419853392 246324212 /nfs/dbraw/zinc/32/42/12/246324212.db2.gz SGDYLYUSPHVYGP-INIZCTEOSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000419867565 246336987 /nfs/dbraw/zinc/33/69/87/246336987.db2.gz IBHKDTBXKJGHEM-GJZGRUSLSA-N 2 1 364.515 0.821 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419867798 246337356 /nfs/dbraw/zinc/33/73/56/246337356.db2.gz QOXNAQGBWMVFHW-SFHVURJKSA-N 2 1 358.486 0.632 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419915311 246365870 /nfs/dbraw/zinc/36/58/70/246365870.db2.gz XDPBAOASIJIKKY-BQFCYCMXSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419915311 246365879 /nfs/dbraw/zinc/36/58/79/246365879.db2.gz XDPBAOASIJIKKY-BQFCYCMXSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419876878 246343313 /nfs/dbraw/zinc/34/33/13/246343313.db2.gz FKUQLTBXZVWVNM-MJGOQNOKSA-N 2 1 372.513 0.878 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419886122 246350353 /nfs/dbraw/zinc/35/03/53/246350353.db2.gz KLPGHMQPOJISRO-JKSUJKDBSA-N 2 1 359.474 0.543 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419888606 246351726 /nfs/dbraw/zinc/35/17/26/246351726.db2.gz RESOBOCVXYAROV-GOSISDBHSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890303 246353855 /nfs/dbraw/zinc/35/38/55/246353855.db2.gz LXZFUYCRUSBMPN-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890303 246353858 /nfs/dbraw/zinc/35/38/58/246353858.db2.gz LXZFUYCRUSBMPN-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419892119 246354619 /nfs/dbraw/zinc/35/46/19/246354619.db2.gz NWMDINNXLZRMQL-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419907811 246363172 /nfs/dbraw/zinc/36/31/72/246363172.db2.gz XUZSSQSUTHHELC-QXSJWSMHSA-N 2 1 354.495 0.106 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419960696 246387958 /nfs/dbraw/zinc/38/79/58/246387958.db2.gz WQTHEHQIKPPRTL-FUHWJXTLSA-N 2 1 360.502 0.939 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967154 246394673 /nfs/dbraw/zinc/39/46/73/246394673.db2.gz APFOJLVFQXUWNA-GDBMZVCRSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967154 246394677 /nfs/dbraw/zinc/39/46/77/246394677.db2.gz APFOJLVFQXUWNA-GDBMZVCRSA-N 2 1 368.522 0.314 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000420068541 246450107 /nfs/dbraw/zinc/45/01/07/246450107.db2.gz ZVLGWQHFFROJLY-INIZCTEOSA-N 2 1 359.474 0.672 20 0 FCADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349665 246549050 /nfs/dbraw/zinc/54/90/50/246549050.db2.gz PZYCWCCYOMMSSR-QZTJIDSGSA-N 2 1 360.502 0.858 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423145853 246968796 /nfs/dbraw/zinc/96/87/96/246968796.db2.gz MVUQYNIWMISALV-KBAYOESNSA-N 2 1 358.486 0.915 20 0 FCADMP FC(F)(F)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380591 247015352 /nfs/dbraw/zinc/01/53/52/247015352.db2.gz HENLRVUVWVQMCY-YJNKXOJESA-N 2 1 350.429 0.569 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380591 247015357 /nfs/dbraw/zinc/01/53/57/247015357.db2.gz HENLRVUVWVQMCY-YJNKXOJESA-N 3 1 350.429 0.569 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000423541487 247046124 /nfs/dbraw/zinc/04/61/24/247046124.db2.gz RZMCSNNEWPLLOR-CABCVRRESA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000423541487 247046129 /nfs/dbraw/zinc/04/61/29/247046129.db2.gz RZMCSNNEWPLLOR-CABCVRRESA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423590876 247065562 /nfs/dbraw/zinc/06/55/62/247065562.db2.gz JMCIXHNARFLISM-OKZBNKHCSA-N 2 1 358.486 0.881 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC[N@@H+]1CCOC ZINC000423587657 247065814 /nfs/dbraw/zinc/06/58/14/247065814.db2.gz FKDXZDZNODZHOP-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC[N@H+]1CCOC ZINC000423587657 247065816 /nfs/dbraw/zinc/06/58/16/247065816.db2.gz FKDXZDZNODZHOP-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423588671 247065941 /nfs/dbraw/zinc/06/59/41/247065941.db2.gz BBMJRKSBBVNGEV-SJLPKXTDSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423461814 247030933 /nfs/dbraw/zinc/03/09/33/247030933.db2.gz OJTAUOUOMPZWEG-FUHWJXTLSA-N 2 1 374.485 0.296 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470244 247032518 /nfs/dbraw/zinc/03/25/18/247032518.db2.gz GRPQXAIVTOIOGE-KSZLIROESA-N 2 1 356.470 0.527 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423471416 247033654 /nfs/dbraw/zinc/03/36/54/247033654.db2.gz WXFDWOSWGYFXNV-WMZOPIPTSA-N 2 1 358.486 0.917 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423473074 247033906 /nfs/dbraw/zinc/03/39/06/247033906.db2.gz QMYXPKVIVBAZDJ-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423473074 247033914 /nfs/dbraw/zinc/03/39/14/247033914.db2.gz QMYXPKVIVBAZDJ-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480057 247034556 /nfs/dbraw/zinc/03/45/56/247034556.db2.gz OQQJPMFBNAJNLN-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423483598 247035486 /nfs/dbraw/zinc/03/54/86/247035486.db2.gz XZZDBOPUMKMPAO-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423483598 247035492 /nfs/dbraw/zinc/03/54/92/247035492.db2.gz XZZDBOPUMKMPAO-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423500062 247036964 /nfs/dbraw/zinc/03/69/64/247036964.db2.gz KBDRNIUCWZTOLI-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423529610 247043577 /nfs/dbraw/zinc/04/35/77/247043577.db2.gz QAMQUVOSHOUPSH-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC[N@H+]1CCOC ZINC000423529610 247043583 /nfs/dbraw/zinc/04/35/83/247043583.db2.gz QAMQUVOSHOUPSH-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423673655 247105708 /nfs/dbraw/zinc/10/57/08/247105708.db2.gz GDJUVRKSJLWOKZ-LAUBAEHRSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423688433 247111674 /nfs/dbraw/zinc/11/16/74/247111674.db2.gz WUYUNNVHDONQPN-NVXWUHKLSA-N 3 1 367.538 0.199 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423688433 247111678 /nfs/dbraw/zinc/11/16/78/247111678.db2.gz WUYUNNVHDONQPN-NVXWUHKLSA-N 3 1 367.538 0.199 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423626934 247082519 /nfs/dbraw/zinc/08/25/19/247082519.db2.gz GPWLEERIRHMBDA-CABCVRRESA-N 2 1 364.515 0.631 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423632121 247085230 /nfs/dbraw/zinc/08/52/30/247085230.db2.gz NSIZMXRYFPJFFL-FHWLQOOXSA-N 2 1 370.497 0.774 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423659554 247098450 /nfs/dbraw/zinc/09/84/50/247098450.db2.gz ZNNCPQHROLFSLW-LSDHHAIUSA-N 2 1 350.463 0.769 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423745017 247138146 /nfs/dbraw/zinc/13/81/46/247138146.db2.gz NEYIJVZCJSILHP-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc[nH+]1 ZINC000423920010 247150197 /nfs/dbraw/zinc/15/01/97/247150197.db2.gz FVCUFZVMJMKECA-SGMGOOAPSA-N 2 1 352.458 0.949 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000423927643 247151899 /nfs/dbraw/zinc/15/18/99/247151899.db2.gz QWXFDVUBVVCKSM-RDBSUJKOSA-N 2 1 350.442 0.575 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000423702001 247116509 /nfs/dbraw/zinc/11/65/09/247116509.db2.gz XOIACJOMQDUCEQ-BRWVUGGUSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000423702001 247116511 /nfs/dbraw/zinc/11/65/11/247116511.db2.gz XOIACJOMQDUCEQ-BRWVUGGUSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423716667 247122272 /nfs/dbraw/zinc/12/22/72/247122272.db2.gz ANNJLYXWNMXKPX-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423716667 247122275 /nfs/dbraw/zinc/12/22/75/247122275.db2.gz ANNJLYXWNMXKPX-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423718947 247124090 /nfs/dbraw/zinc/12/40/90/247124090.db2.gz LZXMYIQTNQDSAM-OXJNMPFZSA-N 2 1 358.486 0.917 20 0 FCADMP COCC[C@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC[NH2+]C1 ZINC000423740246 247134028 /nfs/dbraw/zinc/13/40/28/247134028.db2.gz IRXYXUVBISNCHB-PKOBYXMFSA-N 2 1 352.523 0.631 20 0 FCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000424287886 247195131 /nfs/dbraw/zinc/19/51/31/247195131.db2.gz RQRNTNQFKOXQLU-OAHLLOKOSA-N 2 1 353.488 0.684 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000424136199 247172490 /nfs/dbraw/zinc/17/24/90/247172490.db2.gz ADYOMSILLSMOET-GJZGRUSLSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000424136199 247172497 /nfs/dbraw/zinc/17/24/97/247172497.db2.gz ADYOMSILLSMOET-GJZGRUSLSA-N 2 1 350.467 0.385 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424163863 247173370 /nfs/dbraw/zinc/17/33/70/247173370.db2.gz YFUJMSFAAGLZEA-KBPBESRZSA-N 2 1 362.478 0.194 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000424219201 247179899 /nfs/dbraw/zinc/17/98/99/247179899.db2.gz ZYWYBCUQTBQKQN-AWEZNQCLSA-N 2 1 350.467 0.213 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424497298 247241780 /nfs/dbraw/zinc/24/17/80/247241780.db2.gz WSQYZLZNKCCCFD-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424497233 247241904 /nfs/dbraw/zinc/24/19/04/247241904.db2.gz WNTKOLUZOONSEU-UEXGIBASSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)CC[NH2+]CC2 ZINC000424505030 247242360 /nfs/dbraw/zinc/24/23/60/247242360.db2.gz KLPAUGNMBVQTOJ-ZDUSSCGKSA-N 2 1 362.478 0.093 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000424451334 247222118 /nfs/dbraw/zinc/22/21/18/247222118.db2.gz BFGGHKVMLTYYLE-HNNXBMFYSA-N 2 1 361.490 0.534 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424545925 247257139 /nfs/dbraw/zinc/25/71/39/247257139.db2.gz MDXVMCDXCDQNLR-ZWKOTPCHSA-N 2 1 374.485 0.072 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424547955 247259090 /nfs/dbraw/zinc/25/90/90/247259090.db2.gz PNRDRRMEOQLJDN-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425403405 247336203 /nfs/dbraw/zinc/33/62/03/247336203.db2.gz OCNLGXIINVYNQU-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425403405 247336206 /nfs/dbraw/zinc/33/62/06/247336206.db2.gz OCNLGXIINVYNQU-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425403405 247336208 /nfs/dbraw/zinc/33/62/08/247336208.db2.gz OCNLGXIINVYNQU-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP c1cn([C@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500948 247345640 /nfs/dbraw/zinc/34/56/40/247345640.db2.gz DSELMAYSNOSXOW-ROUUACIJSA-N 2 1 374.493 0.860 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425672499 247360473 /nfs/dbraw/zinc/36/04/73/247360473.db2.gz WCPAHKKLJWQVMR-GVDBMIGSSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425672499 247360476 /nfs/dbraw/zinc/36/04/76/247360476.db2.gz WCPAHKKLJWQVMR-GVDBMIGSSA-N 2 1 365.522 0.665 20 0 FCADMP O=C(C[C@H]1CCC[NH2+]CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000427269194 247510090 /nfs/dbraw/zinc/51/00/90/247510090.db2.gz HIQNYMXQVXPTRF-KRWDZBQOSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)C/C=C/C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434708618 247942029 /nfs/dbraw/zinc/94/20/29/247942029.db2.gz DARANLLVUQJDCZ-BGEOSOQGSA-N 2 1 368.566 0.848 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000435552125 248000004 /nfs/dbraw/zinc/00/00/04/248000004.db2.gz YSNZIPITORANEN-OAHLLOKOSA-N 2 1 352.483 0.378 20 0 FCADMP COc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436057723 248031421 /nfs/dbraw/zinc/03/14/21/248031421.db2.gz WTALNIRJGXXZNV-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP COc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436057723 248031423 /nfs/dbraw/zinc/03/14/23/248031423.db2.gz WTALNIRJGXXZNV-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000439202414 248113901 /nfs/dbraw/zinc/11/39/01/248113901.db2.gz FSRKGZRWGNSBTM-HZPDHXFCSA-N 2 1 354.495 0.236 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000440940337 248224510 /nfs/dbraw/zinc/22/45/10/248224510.db2.gz GSEVVJJFERWREZ-KFWWJZLASA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000440940337 248224514 /nfs/dbraw/zinc/22/45/14/248224514.db2.gz GSEVVJJFERWREZ-KFWWJZLASA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000440940337 248224518 /nfs/dbraw/zinc/22/45/18/248224518.db2.gz GSEVVJJFERWREZ-KFWWJZLASA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000440976824 248228109 /nfs/dbraw/zinc/22/81/09/248228109.db2.gz CWMXBYZCVPEQEM-IAGOWNOFSA-N 2 1 369.554 0.811 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760307 248295458 /nfs/dbraw/zinc/29/54/58/248295458.db2.gz GGFYKVLESNFSAA-ZIAGYGMSSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760307 248295459 /nfs/dbraw/zinc/29/54/59/248295459.db2.gz GGFYKVLESNFSAA-ZIAGYGMSSA-N 2 1 350.488 0.702 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000442778657 248296828 /nfs/dbraw/zinc/29/68/28/248296828.db2.gz KVHNHJUBKWKWIB-CHWSQXEVSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000442778657 248296830 /nfs/dbraw/zinc/29/68/30/248296830.db2.gz KVHNHJUBKWKWIB-CHWSQXEVSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@@H](O)CN(CC(=O)N1CCN(Cc2ccsc2)CC1)[C@@H](C)CO ZINC000443324717 248320554 /nfs/dbraw/zinc/32/05/54/248320554.db2.gz YNVDQCCHLBPYJZ-LSDHHAIUSA-N 2 1 355.504 0.456 20 0 FCADMP C[C@@H](O)CN(CC(=O)N1CCN(Cc2ccsc2)CC1)[C@H](C)CO ZINC000443324713 248320986 /nfs/dbraw/zinc/32/09/86/248320986.db2.gz YNVDQCCHLBPYJZ-HUUCEWRRSA-N 2 1 355.504 0.456 20 0 FCADMP CNc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443522726 248330749 /nfs/dbraw/zinc/33/07/49/248330749.db2.gz MUWDGQXAERAMBN-XGUBFFRZSA-N 2 1 362.526 0.393 20 0 FCADMP CNc1nc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443522726 248330751 /nfs/dbraw/zinc/33/07/51/248330751.db2.gz MUWDGQXAERAMBN-XGUBFFRZSA-N 2 1 362.526 0.393 20 0 FCADMP CNc1nc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443522726 248330752 /nfs/dbraw/zinc/33/07/52/248330752.db2.gz MUWDGQXAERAMBN-XGUBFFRZSA-N 2 1 362.526 0.393 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000443633485 248333839 /nfs/dbraw/zinc/33/38/39/248333839.db2.gz QBCWTVMJZBKEIT-ZACQAIPSSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000443633485 248333841 /nfs/dbraw/zinc/33/38/41/248333841.db2.gz QBCWTVMJZBKEIT-ZACQAIPSSA-N 2 1 367.538 0.911 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000441991943 248268073 /nfs/dbraw/zinc/26/80/73/248268073.db2.gz NIFMPKXWCNINNU-OAHLLOKOSA-N 2 1 360.458 0.918 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446370324 248388264 /nfs/dbraw/zinc/38/82/64/248388264.db2.gz RMTNIXFCDYXHHW-IDHHARJASA-N 2 1 366.506 0.141 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000459929093 249794344 /nfs/dbraw/zinc/79/43/44/249794344.db2.gz YTEGNHOXAIBKTK-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000459929093 249794349 /nfs/dbraw/zinc/79/43/49/249794349.db2.gz YTEGNHOXAIBKTK-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000460038929 249832731 /nfs/dbraw/zinc/83/27/31/249832731.db2.gz JIEGEGSIOAWWPO-UHFFFAOYSA-N 2 1 368.522 0.092 20 0 FCADMP C[NH+](C)CCOc1cc(CNC(=O)NCCC[NH+]2CCOCC2)ccn1 ZINC000270757009 211263113 /nfs/dbraw/zinc/26/31/13/211263113.db2.gz PNQWFHHMICOCKU-UHFFFAOYSA-N 2 1 365.478 0.544 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857683 250008538 /nfs/dbraw/zinc/00/85/38/250008538.db2.gz WJNAEDZCINVZAH-ZBFHGGJFSA-N 2 1 361.490 0.797 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857683 250008541 /nfs/dbraw/zinc/00/85/41/250008541.db2.gz WJNAEDZCINVZAH-ZBFHGGJFSA-N 2 1 361.490 0.797 20 0 FCADMP NC(=O)c1csc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469862878 250009794 /nfs/dbraw/zinc/00/97/94/250009794.db2.gz BAUVFBUFYSVSRT-WFASDCNBSA-N 2 1 350.488 0.927 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000469995004 250018867 /nfs/dbraw/zinc/01/88/67/250018867.db2.gz ZEHBERWCOTWPJX-ZDUSSCGKSA-N 2 1 353.492 0.267 20 0 FCADMP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000470469353 250045339 /nfs/dbraw/zinc/04/53/39/250045339.db2.gz XSAPYSFHFLDXTA-UHFFFAOYSA-N 2 1 367.881 0.043 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470887289 250069841 /nfs/dbraw/zinc/06/98/41/250069841.db2.gz CARDWPCANYSVOG-SJORKVTESA-N 2 1 365.522 0.701 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000472286250 250143609 /nfs/dbraw/zinc/14/36/09/250143609.db2.gz ZVJWQJKPVZDMTP-LBPRGKRZSA-N 2 1 368.400 0.807 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000472286250 250143613 /nfs/dbraw/zinc/14/36/13/250143613.db2.gz ZVJWQJKPVZDMTP-LBPRGKRZSA-N 2 1 368.400 0.807 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932546 211120504 /nfs/dbraw/zinc/12/05/04/211120504.db2.gz USNIPNIJVFWMDN-CYBMUJFWSA-N 2 1 366.466 0.331 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000480868018 250289248 /nfs/dbraw/zinc/28/92/48/250289248.db2.gz DFKLHYVBVUKPBZ-ZFWWWQNUSA-N 2 1 357.524 0.823 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000480868018 250289251 /nfs/dbraw/zinc/28/92/51/250289251.db2.gz DFKLHYVBVUKPBZ-ZFWWWQNUSA-N 2 1 357.524 0.823 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000481023058 250308609 /nfs/dbraw/zinc/30/86/09/250308609.db2.gz ZZQXVPALAPVUHP-XUWVNRHRSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000481023058 250308614 /nfs/dbraw/zinc/30/86/14/250308614.db2.gz ZZQXVPALAPVUHP-XUWVNRHRSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000481023058 250308618 /nfs/dbraw/zinc/30/86/18/250308618.db2.gz ZZQXVPALAPVUHP-XUWVNRHRSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111218 250315077 /nfs/dbraw/zinc/31/50/77/250315077.db2.gz XZDXBROUFSXTIJ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111218 250315082 /nfs/dbraw/zinc/31/50/82/250315082.db2.gz XZDXBROUFSXTIJ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)[nH+]1 ZINC000481792604 250362444 /nfs/dbraw/zinc/36/24/44/250362444.db2.gz IKPZTVZNGBCNAL-KRWDZBQOSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)[nH+]1 ZINC000481792604 250362448 /nfs/dbraw/zinc/36/24/48/250362448.db2.gz IKPZTVZNGBCNAL-KRWDZBQOSA-N 2 1 371.485 0.782 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+](C)C1 ZINC000413483315 532996041 /nfs/dbraw/zinc/99/60/41/532996041.db2.gz AAPNEKUQEGLKGE-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483315 532996043 /nfs/dbraw/zinc/99/60/43/532996043.db2.gz AAPNEKUQEGLKGE-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483315 532996054 /nfs/dbraw/zinc/99/60/54/532996054.db2.gz AAPNEKUQEGLKGE-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000074193589 208051875 /nfs/dbraw/zinc/05/18/75/208051875.db2.gz MZBOZJJFUKYMKA-MSOLQXFVSA-N 2 1 358.486 0.912 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000074193589 208051880 /nfs/dbraw/zinc/05/18/80/208051880.db2.gz MZBOZJJFUKYMKA-MSOLQXFVSA-N 2 1 358.486 0.912 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000066534439 208017169 /nfs/dbraw/zinc/01/71/69/208017169.db2.gz COBDCWDSOBXSDW-UHFFFAOYSA-N 2 1 373.501 0.678 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000069506447 208032224 /nfs/dbraw/zinc/03/22/24/208032224.db2.gz JDXWBMHHYOMIQO-UHFFFAOYSA-N 2 1 353.511 0.522 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000079235018 208088694 /nfs/dbraw/zinc/08/86/94/208088694.db2.gz NLCLOSUCJSWKQJ-UHFFFAOYSA-N 2 1 351.495 0.420 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000116977936 208339001 /nfs/dbraw/zinc/33/90/01/208339001.db2.gz DHUOJFZYRLTNDJ-RBUKOAKNSA-N 2 1 361.486 0.973 20 0 FCADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000118868182 208352549 /nfs/dbraw/zinc/35/25/49/208352549.db2.gz XLGRGDXHUAHOIA-UHFFFAOYSA-N 2 1 368.503 0.936 20 0 FCADMP C[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119840230 208371830 /nfs/dbraw/zinc/37/18/30/208371830.db2.gz NBWAJKHVQXPTFX-VQIMIIECSA-N 2 1 360.502 0.158 20 0 FCADMP C[C@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119840230 208371837 /nfs/dbraw/zinc/37/18/37/208371837.db2.gz NBWAJKHVQXPTFX-VQIMIIECSA-N 2 1 360.502 0.158 20 0 FCADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178675791 209058677 /nfs/dbraw/zinc/05/86/77/209058677.db2.gz WWGXCAGPFVNNJQ-AWEZNQCLSA-N 2 1 368.503 0.409 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884701 209063294 /nfs/dbraw/zinc/06/32/94/209063294.db2.gz MTLRMFQQYLWEDL-UXHICEINSA-N 2 1 374.529 0.810 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+](C)C1 ZINC000413253013 533480827 /nfs/dbraw/zinc/48/08/27/533480827.db2.gz TZHMVQBRSGEYOG-CVEARBPZSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253013 533480835 /nfs/dbraw/zinc/48/08/35/533480835.db2.gz TZHMVQBRSGEYOG-CVEARBPZSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253013 533480838 /nfs/dbraw/zinc/48/08/38/533480838.db2.gz TZHMVQBRSGEYOG-CVEARBPZSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413322770 533482411 /nfs/dbraw/zinc/48/24/11/533482411.db2.gz IMFNGEQRZFAKBV-DLBZAZTESA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322770 533482415 /nfs/dbraw/zinc/48/24/15/533482415.db2.gz IMFNGEQRZFAKBV-DLBZAZTESA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322770 533482422 /nfs/dbraw/zinc/48/24/22/533482422.db2.gz IMFNGEQRZFAKBV-DLBZAZTESA-N 2 1 366.506 0.997 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410473336 230092748 /nfs/dbraw/zinc/09/27/48/230092748.db2.gz JFRQFNXKBQMBKB-DOTOQJQBSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410473336 230092753 /nfs/dbraw/zinc/09/27/53/230092753.db2.gz JFRQFNXKBQMBKB-DOTOQJQBSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410473336 230092757 /nfs/dbraw/zinc/09/27/57/230092757.db2.gz JFRQFNXKBQMBKB-DOTOQJQBSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410472864 230093614 /nfs/dbraw/zinc/09/36/14/230093614.db2.gz SHIROHJSOJCPTC-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000410772370 230242350 /nfs/dbraw/zinc/24/23/50/230242350.db2.gz DZHBXVGCGDNRSC-IRXDYDNUSA-N 2 1 370.538 0.741 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000410939100 230316619 /nfs/dbraw/zinc/31/66/19/230316619.db2.gz QVMLUJHFKZHZBM-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000410939100 230316622 /nfs/dbraw/zinc/31/66/22/230316622.db2.gz QVMLUJHFKZHZBM-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410939100 230316626 /nfs/dbraw/zinc/31/66/26/230316626.db2.gz QVMLUJHFKZHZBM-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410939100 230316631 /nfs/dbraw/zinc/31/66/31/230316631.db2.gz QVMLUJHFKZHZBM-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000480073092 484098563 /nfs/dbraw/zinc/09/85/63/484098563.db2.gz ZFNGNGPSZHRPRJ-SFHVURJKSA-N 2 1 362.478 0.328 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794824 491189441 /nfs/dbraw/zinc/18/94/41/491189441.db2.gz ROFRKPBQTBQOEL-ZFWWWQNUSA-N 2 1 351.520 0.779 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794824 491189443 /nfs/dbraw/zinc/18/94/43/491189443.db2.gz ROFRKPBQTBQOEL-ZFWWWQNUSA-N 2 1 351.520 0.779 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312940340 488895976 /nfs/dbraw/zinc/89/59/76/488895976.db2.gz PNNORQYBMFQVTG-OALUTQOASA-N 2 1 370.497 0.789 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364163018 488929464 /nfs/dbraw/zinc/92/94/64/488929464.db2.gz OITPGDCVDVWOLI-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP C[NH+]1CCC(CNC(=O)N2CCCO[C@H](C[NH3+])C2)(N2CCCCC2)CC1 ZINC000562803852 491190407 /nfs/dbraw/zinc/19/04/07/491190407.db2.gz DZMONGKROLHJAZ-QGZVFWFLSA-N 2 1 367.538 0.696 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042909113 487882330 /nfs/dbraw/zinc/88/23/30/487882330.db2.gz DCJNHLHMHRJJPS-UHFFFAOYSA-N 2 1 353.511 0.759 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000052364871 488166459 /nfs/dbraw/zinc/16/64/59/488166459.db2.gz RKIIWXBGEZZPPY-UHFFFAOYSA-N 2 1 359.430 0.887 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000569793449 491191838 /nfs/dbraw/zinc/19/18/38/491191838.db2.gz NLSDYNQBJXJQFE-CABCVRRESA-N 2 1 351.495 0.323 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000562816085 491191998 /nfs/dbraw/zinc/19/19/98/491191998.db2.gz TXLHAYOBNPQLKE-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000069506818 488372856 /nfs/dbraw/zinc/37/28/56/488372856.db2.gz XNYJIWYHHBOJSD-UHFFFAOYSA-N 2 1 374.489 0.466 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000569808343 491194180 /nfs/dbraw/zinc/19/41/80/491194180.db2.gz ZRTQTHIZLLIAOI-OAHLLOKOSA-N 2 1 361.446 0.384 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1CCOC ZINC000554336214 491195060 /nfs/dbraw/zinc/19/50/60/491195060.db2.gz WRHVPUXEKCHAKT-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1CCOC ZINC000554336214 491195064 /nfs/dbraw/zinc/19/50/64/491195064.db2.gz WRHVPUXEKCHAKT-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1CCOC ZINC000554336214 491195065 /nfs/dbraw/zinc/19/50/65/491195065.db2.gz WRHVPUXEKCHAKT-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1CCOC ZINC000554336214 491195069 /nfs/dbraw/zinc/19/50/69/491195069.db2.gz WRHVPUXEKCHAKT-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000184417282 488396302 /nfs/dbraw/zinc/39/63/02/488396302.db2.gz IXFUATRVNIDXQK-HNNXBMFYSA-N 2 1 351.499 0.592 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705537 488402177 /nfs/dbraw/zinc/40/21/77/488402177.db2.gz BYTZKGRFDWDVAH-FXUDXRNXSA-N 2 1 371.547 0.921 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705537 488402178 /nfs/dbraw/zinc/40/21/78/488402178.db2.gz BYTZKGRFDWDVAH-FXUDXRNXSA-N 2 1 371.547 0.921 20 0 FCADMP C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737301 488402257 /nfs/dbraw/zinc/40/22/57/488402257.db2.gz SGYLLLNACNSLSM-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737301 488402259 /nfs/dbraw/zinc/40/22/59/488402259.db2.gz SGYLLLNACNSLSM-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185819440 488402889 /nfs/dbraw/zinc/40/28/89/488402889.db2.gz LENKHAIDIDSOIY-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078562407 488423282 /nfs/dbraw/zinc/42/32/82/488423282.db2.gz GSJKSGKJMDQDQY-SFHVURJKSA-N 2 1 373.501 0.771 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078562407 488423283 /nfs/dbraw/zinc/42/32/83/488423283.db2.gz GSJKSGKJMDQDQY-SFHVURJKSA-N 2 1 373.501 0.771 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192964717 488425149 /nfs/dbraw/zinc/42/51/49/488425149.db2.gz VZVWHXMIMPAXBD-GASCZTMLSA-N 2 1 355.508 0.244 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000193421995 488427167 /nfs/dbraw/zinc/42/71/67/488427167.db2.gz OXTPUBTYLPBJHQ-KRWDZBQOSA-N 2 1 367.538 0.962 20 0 FCADMP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193421995 488427168 /nfs/dbraw/zinc/42/71/68/488427168.db2.gz OXTPUBTYLPBJHQ-KRWDZBQOSA-N 2 1 367.538 0.962 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193421995 488427171 /nfs/dbraw/zinc/42/71/71/488427171.db2.gz OXTPUBTYLPBJHQ-KRWDZBQOSA-N 2 1 367.538 0.962 20 0 FCADMP Cc1nccn1CCC[N@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193442880 488427545 /nfs/dbraw/zinc/42/75/45/488427545.db2.gz PMGFJELZQZUTBN-UHFFFAOYSA-N 2 1 357.462 0.652 20 0 FCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193442880 488427550 /nfs/dbraw/zinc/42/75/50/488427550.db2.gz PMGFJELZQZUTBN-UHFFFAOYSA-N 2 1 357.462 0.652 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000562865040 491197495 /nfs/dbraw/zinc/19/74/95/491197495.db2.gz BYXFXUKCFQMLAG-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000079235391 488428780 /nfs/dbraw/zinc/42/87/80/488428780.db2.gz XEFXKIWAWYJYET-IAGOWNOFSA-N 2 1 367.538 0.818 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000194956354 488435208 /nfs/dbraw/zinc/43/52/08/488435208.db2.gz VVPGLFYNCQQOAY-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000195138549 488435882 /nfs/dbraw/zinc/43/58/82/488435882.db2.gz ZVFBOJRQDLIPKL-KRWDZBQOSA-N 2 1 356.511 0.753 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000081385173 488441861 /nfs/dbraw/zinc/44/18/61/488441861.db2.gz GCZJCXGEWNARDJ-HXUWFJFHSA-N 2 1 373.545 0.869 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238041567 488458069 /nfs/dbraw/zinc/45/80/69/488458069.db2.gz HQJAENICVIUJSQ-MRXNPFEDSA-N 2 1 358.490 0.495 20 0 FCADMP CCC[C@@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000245939642 488467632 /nfs/dbraw/zinc/46/76/32/488467632.db2.gz QQGSPUWWVNBKIA-QZTJIDSGSA-N 2 1 354.539 0.972 20 0 FCADMP CCC[C@@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000245939642 488467634 /nfs/dbraw/zinc/46/76/34/488467634.db2.gz QQGSPUWWVNBKIA-QZTJIDSGSA-N 2 1 354.539 0.972 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092665937 488475802 /nfs/dbraw/zinc/47/58/02/488475802.db2.gz VKSRXMIMKARHQI-IYBDPMFKSA-N 2 1 363.506 0.074 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092665937 488475803 /nfs/dbraw/zinc/47/58/03/488475803.db2.gz VKSRXMIMKARHQI-IYBDPMFKSA-N 2 1 363.506 0.074 20 0 FCADMP COC1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000269228284 488480679 /nfs/dbraw/zinc/48/06/79/488480679.db2.gz GKNZNUZSGJNMBY-UHFFFAOYSA-N 2 1 374.485 0.459 20 0 FCADMP C[C@@]1(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269053 488484467 /nfs/dbraw/zinc/48/44/67/488484467.db2.gz QVMSKANAOURGAN-YLJYHZDGSA-N 2 1 358.486 1.000 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000269282721 488486549 /nfs/dbraw/zinc/48/65/49/488486549.db2.gz GSRHIGNXTQYIFL-HNNXBMFYSA-N 2 1 364.515 0.938 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103236762 488500960 /nfs/dbraw/zinc/50/09/60/488500960.db2.gz ZPVYXXQQUQTOTR-KRWDZBQOSA-N 2 1 365.522 0.668 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000105137490 488507926 /nfs/dbraw/zinc/50/79/26/488507926.db2.gz ODYNFCXAMSPQKE-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000249420252 488510064 /nfs/dbraw/zinc/51/00/64/488510064.db2.gz HHWXAJVABOWNLQ-KFGODFMUSA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000249420252 488510066 /nfs/dbraw/zinc/51/00/66/488510066.db2.gz HHWXAJVABOWNLQ-KFGODFMUSA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000249420252 488510068 /nfs/dbraw/zinc/51/00/68/488510068.db2.gz HHWXAJVABOWNLQ-KFGODFMUSA-N 2 1 364.534 0.785 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000249849337 488514767 /nfs/dbraw/zinc/51/47/67/488514767.db2.gz PDXRXYCXVVLJGW-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)CC1=O ZINC000249849337 488514770 /nfs/dbraw/zinc/51/47/70/488514770.db2.gz PDXRXYCXVVLJGW-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCCOCC2)CC1=O ZINC000249849337 488514773 /nfs/dbraw/zinc/51/47/73/488514773.db2.gz PDXRXYCXVVLJGW-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000106917774 488515996 /nfs/dbraw/zinc/51/59/96/488515996.db2.gz QRRQQUXLCFFGDM-MRXNPFEDSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000106917773 488516401 /nfs/dbraw/zinc/51/64/01/488516401.db2.gz QRRQQUXLCFFGDM-INIZCTEOSA-N 2 1 350.467 0.182 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261610338 488526964 /nfs/dbraw/zinc/52/69/64/488526964.db2.gz BDFKXQMTDBREQR-MOPGFXCFSA-N 2 1 360.502 0.947 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000111510459 488529790 /nfs/dbraw/zinc/52/97/90/488529790.db2.gz HDFCSAOCESPPNL-QGZVFWFLSA-N 2 1 365.522 0.810 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261675669 488530621 /nfs/dbraw/zinc/53/06/21/488530621.db2.gz HXCWSEHCYDNHTG-OLMNPRSZSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261675669 488530623 /nfs/dbraw/zinc/53/06/23/488530623.db2.gz HXCWSEHCYDNHTG-OLMNPRSZSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747559 488534192 /nfs/dbraw/zinc/53/41/92/488534192.db2.gz KZWYSSGNSZGLEK-KRWDZBQOSA-N 2 1 368.503 0.054 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261768654 488535141 /nfs/dbraw/zinc/53/51/41/488535141.db2.gz OPLIIIKTSMUOLJ-LZQZEXGQSA-N 2 1 358.486 0.740 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261768654 488535142 /nfs/dbraw/zinc/53/51/42/488535142.db2.gz OPLIIIKTSMUOLJ-LZQZEXGQSA-N 2 1 358.486 0.740 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261835653 488537862 /nfs/dbraw/zinc/53/78/62/488537862.db2.gz LEJPNCLQMVXTKP-LSDHHAIUSA-N 2 1 352.504 0.798 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261835650 488538160 /nfs/dbraw/zinc/53/81/60/488538160.db2.gz LEJPNCLQMVXTKP-HUUCEWRRSA-N 2 1 352.504 0.798 20 0 FCADMP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)nc1 ZINC000261948956 488543113 /nfs/dbraw/zinc/54/31/13/488543113.db2.gz NZYQLXHYXPJEPP-KURKYZTESA-N 2 1 360.506 0.345 20 0 FCADMP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000261948957 488543142 /nfs/dbraw/zinc/54/31/42/488543142.db2.gz NZYQLXHYXPJEPP-KZNAEPCWSA-N 2 1 360.506 0.345 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037508 488547363 /nfs/dbraw/zinc/54/73/63/488547363.db2.gz KUTZDEIEAQSYGH-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037508 488547365 /nfs/dbraw/zinc/54/73/65/488547365.db2.gz KUTZDEIEAQSYGH-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000262062088 488548606 /nfs/dbraw/zinc/54/86/06/488548606.db2.gz AXACHKMNXHJTJV-HOTGVXAUSA-N 2 1 363.506 0.966 20 0 FCADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262123258 488551757 /nfs/dbraw/zinc/55/17/57/488551757.db2.gz MKURNTXYMRSXNZ-KRWDZBQOSA-N 2 1 363.506 0.931 20 0 FCADMP Cc1cccc(NC(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262135090 488552783 /nfs/dbraw/zinc/55/27/83/488552783.db2.gz OFMNCDAVAQVRDN-UHFFFAOYSA-N 2 1 359.474 0.966 20 0 FCADMP Cc1ccc(OCC(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000262154451 488553834 /nfs/dbraw/zinc/55/38/34/488553834.db2.gz PLOWIDFILVETKT-UHFFFAOYSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCO)CCN1CCOCC1 ZINC000119302446 488556689 /nfs/dbraw/zinc/55/66/89/488556689.db2.gz NSHFYJHYOJIHNK-FGTMMUONSA-N 2 1 370.538 0.689 20 0 FCADMP CN1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000569942522 491205688 /nfs/dbraw/zinc/20/56/88/491205688.db2.gz YHPRITBXNVSYDS-SFHVURJKSA-N 2 1 361.490 0.668 20 0 FCADMP COc1cccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262239603 488558905 /nfs/dbraw/zinc/55/89/05/488558905.db2.gz WBLWHWGGQPMWNL-UHFFFAOYSA-N 2 1 360.458 0.275 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262299484 488562609 /nfs/dbraw/zinc/56/26/09/488562609.db2.gz XGUSWVSKMIXPDO-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000262341266 488565071 /nfs/dbraw/zinc/56/50/71/488565071.db2.gz HYFBCRQYCVCDEG-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000262483106 488573054 /nfs/dbraw/zinc/57/30/54/488573054.db2.gz ZSXHNMBXCXKXQQ-INIZCTEOSA-N 2 1 367.515 0.881 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1=O ZINC000262508927 488574133 /nfs/dbraw/zinc/57/41/33/488574133.db2.gz MIHMTKQMTQCBLF-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262548708 488577148 /nfs/dbraw/zinc/57/71/48/488577148.db2.gz OQEYEUHSSUVXRE-VQHPVUNQSA-N 2 1 368.522 0.434 20 0 FCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000122693733 488580240 /nfs/dbraw/zinc/58/02/40/488580240.db2.gz VZKMUHRVHOSNEU-LJQANCHMSA-N 2 1 364.490 0.631 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123536348 488585647 /nfs/dbraw/zinc/58/56/47/488585647.db2.gz DVENYMKJUNRUNC-DOTOQJQBSA-N 2 1 361.490 0.754 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123536348 488585649 /nfs/dbraw/zinc/58/56/49/488585649.db2.gz DVENYMKJUNRUNC-DOTOQJQBSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554573293 491210675 /nfs/dbraw/zinc/21/06/75/491210675.db2.gz WWCNDDNNYMQIJW-IRXDYDNUSA-N 2 1 355.527 0.111 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263257565 488608012 /nfs/dbraw/zinc/60/80/12/488608012.db2.gz RLCSDMSDPLDZGF-IVSAIRAKSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263257565 488608015 /nfs/dbraw/zinc/60/80/15/488608015.db2.gz RLCSDMSDPLDZGF-IVSAIRAKSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126340103 488608286 /nfs/dbraw/zinc/60/82/86/488608286.db2.gz BRVWVXNRJJEHAY-OWJWWREXSA-N 2 1 352.504 0.819 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316484 488616184 /nfs/dbraw/zinc/61/61/84/488616184.db2.gz VCQKKAVBDYZQEO-HZPDHXFCSA-N 2 1 363.506 0.561 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129830025 488633850 /nfs/dbraw/zinc/63/38/50/488633850.db2.gz SMZOBQHBHLWJAV-JKSUJKDBSA-N 2 1 353.511 0.522 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000273155176 488635055 /nfs/dbraw/zinc/63/50/55/488635055.db2.gz XRQNZVXQSOVGTK-LJQANCHMSA-N 2 1 360.502 0.548 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000264208507 488654665 /nfs/dbraw/zinc/65/46/65/488654665.db2.gz HFBJLOFRRMJIBG-KRWDZBQOSA-N 2 1 362.518 0.922 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132984349 488656580 /nfs/dbraw/zinc/65/65/80/488656580.db2.gz QBOMPPFLBZATHK-IBGZPJMESA-N 3 1 362.518 0.839 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132984349 488656581 /nfs/dbraw/zinc/65/65/81/488656581.db2.gz QBOMPPFLBZATHK-IBGZPJMESA-N 3 1 362.518 0.839 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435526 488673292 /nfs/dbraw/zinc/67/32/92/488673292.db2.gz CNRSFIJKFXUNOL-QZTJIDSGSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264435526 488673293 /nfs/dbraw/zinc/67/32/93/488673293.db2.gz CNRSFIJKFXUNOL-QZTJIDSGSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000264435526 488673296 /nfs/dbraw/zinc/67/32/96/488673296.db2.gz CNRSFIJKFXUNOL-QZTJIDSGSA-N 2 1 373.501 0.900 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000136827650 488678970 /nfs/dbraw/zinc/67/89/70/488678970.db2.gz ZLLNHCKKAVDSSH-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000136827650 488678973 /nfs/dbraw/zinc/67/89/73/488678973.db2.gz ZLLNHCKKAVDSSH-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000136827650 488678975 /nfs/dbraw/zinc/67/89/75/488678975.db2.gz ZLLNHCKKAVDSSH-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264685933 488698365 /nfs/dbraw/zinc/69/83/65/488698365.db2.gz CGRXFQAMVKYGPB-QGZVFWFLSA-N 2 1 363.506 0.672 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000274381479 488702825 /nfs/dbraw/zinc/70/28/25/488702825.db2.gz FAKKDWBCERFJPY-UHFFFAOYSA-N 2 1 351.451 0.283 20 0 FCADMP [NH3+]CC(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000274395535 488704523 /nfs/dbraw/zinc/70/45/23/488704523.db2.gz FFMXATGRXANHCE-OAHLLOKOSA-N 2 1 352.866 0.886 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151938363 488711876 /nfs/dbraw/zinc/71/18/76/488711876.db2.gz XDWXHFFPFIQMIO-HUUCEWRRSA-N 2 1 364.494 0.620 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)o1 ZINC000264829863 488717104 /nfs/dbraw/zinc/71/71/04/488717104.db2.gz ZVRLLEKLBLWZHM-INIZCTEOSA-N 2 1 351.495 0.907 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154025949 488737357 /nfs/dbraw/zinc/73/73/57/488737357.db2.gz JYGVWMMSYWOXLU-OAHLLOKOSA-N 2 1 364.494 0.574 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154063298 488738121 /nfs/dbraw/zinc/73/81/21/488738121.db2.gz SHZHRLIYLZQQEM-CQSZACIVSA-N 2 1 350.467 0.183 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146735 491219917 /nfs/dbraw/zinc/21/99/17/491219917.db2.gz OMYOXJBIEGEEIF-IAGOWNOFSA-N 2 1 368.522 0.740 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N2CCC([N@@H+](C)CCO)CC2)ccn1 ZINC000155307035 488753844 /nfs/dbraw/zinc/75/38/44/488753844.db2.gz QJWJGNGFJSWJAZ-UHFFFAOYSA-N 2 1 350.463 0.551 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563142457 491220581 /nfs/dbraw/zinc/22/05/81/491220581.db2.gz OJELBPBKEHDEOF-ULQDDVLXSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137227 488762713 /nfs/dbraw/zinc/76/27/13/488762713.db2.gz WKYHCTRHVDKVPZ-IXDOHACOSA-N 2 1 360.506 0.834 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000163436823 488807608 /nfs/dbraw/zinc/80/76/08/488807608.db2.gz HYRGCJITYSLAFN-IRXDYDNUSA-N 2 1 356.511 0.347 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000167212280 488812102 /nfs/dbraw/zinc/81/21/02/488812102.db2.gz PJYFODOWTVNSSS-ROUUACIJSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000168056585 488812401 /nfs/dbraw/zinc/81/24/01/488812401.db2.gz SFWPTQDJTZWOOM-AWEZNQCLSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000168056585 488812403 /nfs/dbraw/zinc/81/24/03/488812403.db2.gz SFWPTQDJTZWOOM-AWEZNQCLSA-N 2 1 350.467 0.385 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000167815763 488812627 /nfs/dbraw/zinc/81/26/27/488812627.db2.gz DEPPRJGHRMHGME-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000171685563 488825907 /nfs/dbraw/zinc/82/59/07/488825907.db2.gz YCVNMNWHRGWVGF-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCOCC1 ZINC000173905942 488846136 /nfs/dbraw/zinc/84/61/36/488846136.db2.gz BWJNGOZRRPYPDC-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000173914541 488846338 /nfs/dbraw/zinc/84/63/38/488846338.db2.gz XJFWYFHRNZDSSE-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000173914541 488846339 /nfs/dbraw/zinc/84/63/39/488846339.db2.gz XJFWYFHRNZDSSE-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000174825789 488851696 /nfs/dbraw/zinc/85/16/96/488851696.db2.gz JYZZDAURRFNUOX-KRWDZBQOSA-N 2 1 369.554 0.264 20 0 FCADMP CC(C)[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175575204 488854498 /nfs/dbraw/zinc/85/44/98/488854498.db2.gz ACOXNOUOGBPFOQ-SFHVURJKSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000178157750 488860106 /nfs/dbraw/zinc/86/01/06/488860106.db2.gz BWRVENNDRTYVRF-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](NC(C)=O)C3)CC2)CC1 ZINC000570225865 491225695 /nfs/dbraw/zinc/22/56/95/491225695.db2.gz SBBLAQVHDBMRJB-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1nc2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CN(C)CCN1C ZINC000280507062 489014419 /nfs/dbraw/zinc/01/44/19/489014419.db2.gz LNXNSICMHQPWHO-LBPRGKRZSA-N 2 1 351.401 0.985 20 0 FCADMP CC(CC[NH+]1CCN2CCOC[C@H]2C1)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000563220906 491228343 /nfs/dbraw/zinc/22/83/43/491228343.db2.gz IBWXOMAZYWKCED-WOJBJXKFSA-N 2 1 366.550 0.436 20 0 FCADMP CO[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000570282492 491230235 /nfs/dbraw/zinc/23/02/35/491230235.db2.gz ARJRJVDVOPLIRZ-RTBURBONSA-N 2 1 360.502 0.769 20 0 FCADMP CN(C(=O)CCC(=O)N1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365231672 489051836 /nfs/dbraw/zinc/05/18/36/489051836.db2.gz YFJSGFPPNMTHEI-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP CO[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000570282487 491230343 /nfs/dbraw/zinc/23/03/43/491230343.db2.gz ARJRJVDVOPLIRZ-OALUTQOASA-N 2 1 360.502 0.769 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000289586955 489079240 /nfs/dbraw/zinc/07/92/40/489079240.db2.gz VMGINRHWZMIUEX-RTBURBONSA-N 2 1 372.513 0.960 20 0 FCADMP CCOC1CC(CNC(=O)NCC[N@@H+]2CC=CCC2)(N2CCOCC2)C1 ZINC000366274011 489165476 /nfs/dbraw/zinc/16/54/76/489165476.db2.gz UILUGUPUWQKNKP-UHFFFAOYSA-N 2 1 366.506 0.817 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000331376170 489203353 /nfs/dbraw/zinc/20/33/53/489203353.db2.gz DWMCPTNSLOAXNV-WCVJEAGWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331380429 489204159 /nfs/dbraw/zinc/20/41/59/489204159.db2.gz GGBNVPKMUGCYPB-YVSFHVDLSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000331445787 489212517 /nfs/dbraw/zinc/21/25/17/489212517.db2.gz CFYFAJOBPLMXAE-GBJTYRQASA-N 2 1 352.479 0.158 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331445794 489212760 /nfs/dbraw/zinc/21/27/60/489212760.db2.gz CFYFAJOBPLMXAE-YJNKXOJESA-N 2 1 352.479 0.158 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)C[C@@H](C)O1 ZINC000332947183 489249630 /nfs/dbraw/zinc/24/96/30/489249630.db2.gz VILNHBWNOSQZEO-WCVJEAGWSA-N 2 1 354.495 0.599 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333989034 489264859 /nfs/dbraw/zinc/26/48/59/489264859.db2.gz IPPYRMYHVBTRDB-BPQIPLTHSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333989034 489264861 /nfs/dbraw/zinc/26/48/61/489264861.db2.gz IPPYRMYHVBTRDB-BPQIPLTHSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738423 489269303 /nfs/dbraw/zinc/26/93/03/489269303.db2.gz XVWYCBDPMJJMLO-BPQIPLTHSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738423 489269307 /nfs/dbraw/zinc/26/93/07/489269307.db2.gz XVWYCBDPMJJMLO-BPQIPLTHSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738423 489269310 /nfs/dbraw/zinc/26/93/10/489269310.db2.gz XVWYCBDPMJJMLO-BPQIPLTHSA-N 2 1 366.506 0.744 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000369818965 489278940 /nfs/dbraw/zinc/27/89/40/489278940.db2.gz KNAZXOZNRXVOPL-XLAORIBOSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000369818965 489278942 /nfs/dbraw/zinc/27/89/42/489278942.db2.gz KNAZXOZNRXVOPL-XLAORIBOSA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863057 489283449 /nfs/dbraw/zinc/28/34/49/489283449.db2.gz QKTDWZGDZMDXIS-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369863057 489283452 /nfs/dbraw/zinc/28/34/52/489283452.db2.gz QKTDWZGDZMDXIS-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369863057 489283454 /nfs/dbraw/zinc/28/34/54/489283454.db2.gz QKTDWZGDZMDXIS-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369984153 489299493 /nfs/dbraw/zinc/29/94/93/489299493.db2.gz HCKICMUAUOMRJE-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369984153 489299496 /nfs/dbraw/zinc/29/94/96/489299496.db2.gz HCKICMUAUOMRJE-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369984153 489299498 /nfs/dbraw/zinc/29/94/98/489299498.db2.gz HCKICMUAUOMRJE-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000285810933 489321338 /nfs/dbraw/zinc/32/13/38/489321338.db2.gz HOPMDJAYTWMJIU-UHFFFAOYSA-N 2 1 357.458 0.728 20 0 FCADMP C[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000285844205 489325310 /nfs/dbraw/zinc/32/53/10/489325310.db2.gz WXZGIJOFGRUREJ-OAHLLOKOSA-N 2 1 367.515 0.790 20 0 FCADMP C[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000285844205 489325312 /nfs/dbraw/zinc/32/53/12/489325312.db2.gz WXZGIJOFGRUREJ-OAHLLOKOSA-N 2 1 367.515 0.790 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000285899794 489332198 /nfs/dbraw/zinc/33/21/98/489332198.db2.gz JPACKAYCJBZUNE-UHFFFAOYSA-N 2 1 368.453 0.068 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000285899794 489332201 /nfs/dbraw/zinc/33/22/01/489332201.db2.gz JPACKAYCJBZUNE-UHFFFAOYSA-N 2 1 368.453 0.068 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000285899794 489332202 /nfs/dbraw/zinc/33/22/02/489332202.db2.gz JPACKAYCJBZUNE-UHFFFAOYSA-N 2 1 368.453 0.068 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000285996906 489343513 /nfs/dbraw/zinc/34/35/13/489343513.db2.gz TYNHTQRUTOIBKQ-UHFFFAOYSA-N 2 1 370.457 0.736 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1=O ZINC000370559863 489374946 /nfs/dbraw/zinc/37/49/46/489374946.db2.gz ZPTBJRJSFGCJGH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370727242 489393077 /nfs/dbraw/zinc/39/30/77/489393077.db2.gz UYGAOOYKLZPFQE-YESZJQIVSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370727242 489393080 /nfs/dbraw/zinc/39/30/80/489393080.db2.gz UYGAOOYKLZPFQE-YESZJQIVSA-N 2 1 363.506 0.561 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000370735795 489394701 /nfs/dbraw/zinc/39/47/01/489394701.db2.gz ZQSDLFIIGYBBPL-PVAVHDDUSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000370735795 489394704 /nfs/dbraw/zinc/39/47/04/489394704.db2.gz ZQSDLFIIGYBBPL-PVAVHDDUSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000370735795 489394707 /nfs/dbraw/zinc/39/47/07/489394707.db2.gz ZQSDLFIIGYBBPL-PVAVHDDUSA-N 2 1 363.506 0.417 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000563616987 491258230 /nfs/dbraw/zinc/25/82/30/491258230.db2.gz RMRATHBHRSFWFZ-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@H](C)C1 ZINC000287025727 489453223 /nfs/dbraw/zinc/45/32/23/489453223.db2.gz RJNTZRKARBNMLW-KBPBESRZSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@H](C)C1 ZINC000287025727 489453227 /nfs/dbraw/zinc/45/32/27/489453227.db2.gz RJNTZRKARBNMLW-KBPBESRZSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000563554194 491254978 /nfs/dbraw/zinc/25/49/78/491254978.db2.gz UQUXCZQUJPJYSK-OAHLLOKOSA-N 2 1 369.554 0.221 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539932 489477602 /nfs/dbraw/zinc/47/76/02/489477602.db2.gz QNWFHUICNAXBRU-QZTJIDSGSA-N 2 1 351.539 0.251 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539932 489477604 /nfs/dbraw/zinc/47/76/04/489477604.db2.gz QNWFHUICNAXBRU-QZTJIDSGSA-N 2 1 351.539 0.251 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)CC1 ZINC000363572322 489480190 /nfs/dbraw/zinc/48/01/90/489480190.db2.gz CTSCLEVYXYCKSQ-KBXCAEBGSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H]1[NH3+] ZINC000423117866 489495005 /nfs/dbraw/zinc/49/50/05/489495005.db2.gz XPRVEKHBCFPXIS-UKRRQHHQSA-N 2 1 350.488 0.240 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145572 489496629 /nfs/dbraw/zinc/49/66/29/489496629.db2.gz LJEJGBZZWXKXCV-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423158506 489498199 /nfs/dbraw/zinc/49/81/99/489498199.db2.gz CXPUYIYVLFVMFS-MSOLQXFVSA-N 2 1 373.501 0.844 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423160776 489498248 /nfs/dbraw/zinc/49/82/48/489498248.db2.gz HVGQMIDMYBMYST-ZWKOTPCHSA-N 2 1 373.501 0.702 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423207524 489502946 /nfs/dbraw/zinc/50/29/46/489502946.db2.gz RTNUGPDRTOPIFG-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000423236174 489506501 /nfs/dbraw/zinc/50/65/01/489506501.db2.gz RRCWZXOCLZSEAF-LJQANCHMSA-N 2 1 372.513 0.961 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000423258441 489508024 /nfs/dbraw/zinc/50/80/24/489508024.db2.gz BLUKNMIEWLRNJP-KRWDZBQOSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000423258441 489508027 /nfs/dbraw/zinc/50/80/27/489508027.db2.gz BLUKNMIEWLRNJP-KRWDZBQOSA-N 2 1 358.486 0.930 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000555616116 491259752 /nfs/dbraw/zinc/25/97/52/491259752.db2.gz OFDMRFRYCQQMKO-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616120 491259773 /nfs/dbraw/zinc/25/97/73/491259773.db2.gz AMVHMSZLUJKHKN-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616120 491259775 /nfs/dbraw/zinc/25/97/75/491259775.db2.gz AMVHMSZLUJKHKN-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[nH+]c1 ZINC000424453632 489515508 /nfs/dbraw/zinc/51/55/08/489515508.db2.gz LRQSJASDTMMJKG-JKSUJKDBSA-N 2 1 357.462 1.062 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000555616414 491260141 /nfs/dbraw/zinc/26/01/41/491260141.db2.gz NHMCVASMDCRQRP-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000555616414 491260143 /nfs/dbraw/zinc/26/01/43/491260143.db2.gz NHMCVASMDCRQRP-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000555616415 491260189 /nfs/dbraw/zinc/26/01/89/491260189.db2.gz NHMCVASMDCRQRP-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000555616415 491260191 /nfs/dbraw/zinc/26/01/91/491260191.db2.gz NHMCVASMDCRQRP-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415551161 489529298 /nfs/dbraw/zinc/52/92/98/489529298.db2.gz DBENREKXOBFQEK-JKSUJKDBSA-N 2 1 374.485 0.709 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000425862674 489535060 /nfs/dbraw/zinc/53/50/60/489535060.db2.gz KTPCWIZWRYNSFW-UHFFFAOYSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000425873500 489536616 /nfs/dbraw/zinc/53/66/16/489536616.db2.gz QEQWOKYHBVHUQT-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000425873500 489536621 /nfs/dbraw/zinc/53/66/21/489536621.db2.gz QEQWOKYHBVHUQT-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000425873500 489536623 /nfs/dbraw/zinc/53/66/23/489536623.db2.gz QEQWOKYHBVHUQT-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882448 489539500 /nfs/dbraw/zinc/53/95/00/489539500.db2.gz DRKKHESCUXAKQA-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882448 489539503 /nfs/dbraw/zinc/53/95/03/489539503.db2.gz DRKKHESCUXAKQA-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415818393 489555211 /nfs/dbraw/zinc/55/52/11/489555211.db2.gz TVNCBQJKQFDDBI-UHFFFAOYSA-N 2 1 361.446 0.336 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1Cl ZINC000415847517 489558624 /nfs/dbraw/zinc/55/86/24/489558624.db2.gz CCWCLRJNBJORDD-CQSZACIVSA-N 2 1 368.865 0.916 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372234189 489562211 /nfs/dbraw/zinc/56/22/11/489562211.db2.gz SVVTYEDWMVOMAE-IAGOWNOFSA-N 2 1 368.522 0.849 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372234189 489562213 /nfs/dbraw/zinc/56/22/13/489562213.db2.gz SVVTYEDWMVOMAE-IAGOWNOFSA-N 2 1 368.522 0.849 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870552 489562276 /nfs/dbraw/zinc/56/22/76/489562276.db2.gz TVRBGFPMFSMRMG-QAPCUYQASA-N 2 1 374.485 0.962 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660927 491263552 /nfs/dbraw/zinc/26/35/52/491263552.db2.gz NDXZCHZYOIHOJN-HOCLYGCPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788564 491264190 /nfs/dbraw/zinc/26/41/90/491264190.db2.gz FXOFZMQYACZHON-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000563706378 491264253 /nfs/dbraw/zinc/26/42/53/491264253.db2.gz IILXPIOPPHDPDB-KRWDZBQOSA-N 2 1 350.507 0.969 20 0 FCADMP COc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000426902001 489586051 /nfs/dbraw/zinc/58/60/51/489586051.db2.gz ZLTYHRFQVFMFGM-NMWPEEMBSA-N 2 1 363.510 0.513 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000426902001 489586053 /nfs/dbraw/zinc/58/60/53/489586053.db2.gz ZLTYHRFQVFMFGM-NMWPEEMBSA-N 2 1 363.510 0.513 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000426902001 489586056 /nfs/dbraw/zinc/58/60/56/489586056.db2.gz ZLTYHRFQVFMFGM-NMWPEEMBSA-N 2 1 363.510 0.513 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000555671879 491265170 /nfs/dbraw/zinc/26/51/70/491265170.db2.gz QFMVCTVQONAIOD-OAHLLOKOSA-N 2 1 350.463 0.434 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)n2)CC1 ZINC000427313998 489602537 /nfs/dbraw/zinc/60/25/37/489602537.db2.gz LEQCGEKITCHGDL-GOEBONIOSA-N 2 1 374.489 0.641 20 0 FCADMP CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCO1 ZINC000427864935 489624363 /nfs/dbraw/zinc/62/43/63/489624363.db2.gz NJFAUUFIGDBEGK-QGZVFWFLSA-N 2 1 360.458 0.798 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416831353 489631139 /nfs/dbraw/zinc/63/11/39/489631139.db2.gz BBRGEVSVELNMRQ-ZWKOTPCHSA-N 2 1 373.501 0.757 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417031335 489639177 /nfs/dbraw/zinc/63/91/77/489639177.db2.gz BNNLKXHXDFBPFE-QGZVFWFLSA-N 2 1 363.506 0.732 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417050692 489639974 /nfs/dbraw/zinc/63/99/74/489639974.db2.gz LBNPLLXMCORVKF-GOEBONIOSA-N 2 1 353.511 0.888 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C[C@@H](C)O1 ZINC000417118065 489642122 /nfs/dbraw/zinc/64/21/22/489642122.db2.gz SZWNCGNETQZGFS-HZPDHXFCSA-N 2 1 364.490 0.758 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417252262 489645679 /nfs/dbraw/zinc/64/56/79/489645679.db2.gz JIAOIXBCAVKLIR-VVLHAWIVSA-N 2 1 367.538 0.849 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362058 489649402 /nfs/dbraw/zinc/64/94/02/489649402.db2.gz DIXCMVRKEARCFD-SJORKVTESA-N 2 1 360.506 0.972 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587745 489649730 /nfs/dbraw/zinc/64/97/30/489649730.db2.gz BTZHVGRGZRJABX-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587745 489649733 /nfs/dbraw/zinc/64/97/33/489649733.db2.gz BTZHVGRGZRJABX-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C[C@@H](C)O1 ZINC000457571613 489649845 /nfs/dbraw/zinc/64/98/45/489649845.db2.gz HZHORSRDPYQJCH-ZACQAIPSSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C[C@@H](C)O1 ZINC000457570690 489649959 /nfs/dbraw/zinc/64/99/59/489649959.db2.gz HMVLLZRIKJAVOZ-BRWVUGGUSA-N 2 1 356.511 0.632 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)N1CCOCC1 ZINC000457618308 489651994 /nfs/dbraw/zinc/65/19/94/489651994.db2.gz ZWEXKCJZCPKYNM-DLBZAZTESA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)N1CCOCC1 ZINC000457618308 489651996 /nfs/dbraw/zinc/65/19/96/489651996.db2.gz ZWEXKCJZCPKYNM-DLBZAZTESA-N 2 1 356.511 0.441 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417426412 489651971 /nfs/dbraw/zinc/65/19/71/489651971.db2.gz GNXOTXRDSJOKKM-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000417430839 489652740 /nfs/dbraw/zinc/65/27/40/489652740.db2.gz QDNMNCCYFPATPD-BZUAXINKSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000457664721 489653543 /nfs/dbraw/zinc/65/35/43/489653543.db2.gz JNSBJFDRENOBQZ-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417495533 489656519 /nfs/dbraw/zinc/65/65/19/489656519.db2.gz TWMNQHKCUACILA-SQNIBIBYSA-N 2 1 364.490 0.670 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481884 489656533 /nfs/dbraw/zinc/65/65/33/489656533.db2.gz IEAHMXUNRMZTCE-RDJZCZTQSA-N 2 1 365.522 0.761 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417582421 489659056 /nfs/dbraw/zinc/65/90/56/489659056.db2.gz IAUWCVFCIGADGA-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417616765 489659507 /nfs/dbraw/zinc/65/95/07/489659507.db2.gz ZGXPLVULOILRLN-GFCCVEGCSA-N 2 1 369.457 0.171 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620616 489660105 /nfs/dbraw/zinc/66/01/05/489660105.db2.gz DHSDBSQZVZSYFN-GDBMZVCRSA-N 2 1 351.495 0.370 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)NCCCN3CC[NH2+]CC3)CC2)[nH+]1 ZINC000417703145 489661835 /nfs/dbraw/zinc/66/18/35/489661835.db2.gz QVDNDFBPAMNNSI-UHFFFAOYSA-N 2 1 360.506 0.953 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417729617 489662853 /nfs/dbraw/zinc/66/28/53/489662853.db2.gz LSANWGUSAMQQAN-KRWDZBQOSA-N 2 1 363.506 0.732 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417751627 489663937 /nfs/dbraw/zinc/66/39/37/489663937.db2.gz ZEMKVHMBUUCQAD-DLBZAZTESA-N 2 1 360.506 0.891 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417750247 489664097 /nfs/dbraw/zinc/66/40/97/489664097.db2.gz KKZPVIIRNDNPOJ-FUHWJXTLSA-N 2 1 355.527 0.328 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000417761487 489664922 /nfs/dbraw/zinc/66/49/22/489664922.db2.gz ZFAUYZSTGIIGFF-UPJWGTAASA-N 2 1 351.417 0.604 20 0 FCADMP O=S(=O)(N[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1)c1cccc(F)c1 ZINC000563811842 491270385 /nfs/dbraw/zinc/27/03/85/491270385.db2.gz PUGFNHFQCMIQIT-INIZCTEOSA-N 2 1 370.494 0.474 20 0 FCADMP O=S(=O)(N[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1)c1cccc(F)c1 ZINC000563811842 491270387 /nfs/dbraw/zinc/27/03/87/491270387.db2.gz PUGFNHFQCMIQIT-INIZCTEOSA-N 2 1 370.494 0.474 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458233859 489674684 /nfs/dbraw/zinc/67/46/84/489674684.db2.gz JGKHACJXLFSQNI-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458233859 489674686 /nfs/dbraw/zinc/67/46/86/489674686.db2.gz JGKHACJXLFSQNI-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458331831 489677113 /nfs/dbraw/zinc/67/71/13/489677113.db2.gz HMSFPLSDMWJIKZ-QGZVFWFLSA-N 2 1 368.522 0.777 20 0 FCADMP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000418172952 489682551 /nfs/dbraw/zinc/68/25/51/489682551.db2.gz BMAPYGXUVFMDFW-MKXAEBJUSA-N 2 1 365.522 0.839 20 0 FCADMP C[N@@H+](CCCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000418270053 489686986 /nfs/dbraw/zinc/68/69/86/489686986.db2.gz RKBUJLYLIZZIMB-CQSZACIVSA-N 2 1 365.444 0.996 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418299461 489690365 /nfs/dbraw/zinc/69/03/65/489690365.db2.gz NYIOJEUAFWJWJZ-LJQANCHMSA-N 2 1 359.518 0.850 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418299461 489690366 /nfs/dbraw/zinc/69/03/66/489690366.db2.gz NYIOJEUAFWJWJZ-LJQANCHMSA-N 2 1 359.518 0.850 20 0 FCADMP CC[NH2+]CCNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418326135 489692143 /nfs/dbraw/zinc/69/21/43/489692143.db2.gz NFERTOXSNYDXJX-HZPDHXFCSA-N 2 1 356.511 0.896 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCN(c2ccccc2)CC1 ZINC000429672732 489695651 /nfs/dbraw/zinc/69/56/51/489695651.db2.gz FMXOSOMPMJJROZ-UHFFFAOYSA-N 2 1 373.545 0.905 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCN(c2ccccc2)CC1 ZINC000429672732 489695653 /nfs/dbraw/zinc/69/56/53/489695653.db2.gz FMXOSOMPMJJROZ-UHFFFAOYSA-N 2 1 373.545 0.905 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000458735626 489699183 /nfs/dbraw/zinc/69/91/83/489699183.db2.gz TXZGFBUJFZOHEI-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1(C)C ZINC000458735626 489699185 /nfs/dbraw/zinc/69/91/85/489699185.db2.gz TXZGFBUJFZOHEI-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC000458735626 489699188 /nfs/dbraw/zinc/69/91/88/489699188.db2.gz TXZGFBUJFZOHEI-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836180 491272209 /nfs/dbraw/zinc/27/22/09/491272209.db2.gz NDUVYELWSUEIQR-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP CSC1(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC[NH+](C)CC1 ZINC000458796306 489703068 /nfs/dbraw/zinc/70/30/68/489703068.db2.gz WTPQMCJRXMNPOW-HNNXBMFYSA-N 2 1 358.552 0.960 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418515394 489703119 /nfs/dbraw/zinc/70/31/19/489703119.db2.gz YHPPPLDJRZYKHK-DLBZAZTESA-N 2 1 350.463 0.157 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418572565 489707708 /nfs/dbraw/zinc/70/77/08/489707708.db2.gz FDLJPVYSMFUPGG-JKSUJKDBSA-N 2 1 353.511 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418572565 489707713 /nfs/dbraw/zinc/70/77/13/489707713.db2.gz FDLJPVYSMFUPGG-JKSUJKDBSA-N 2 1 353.511 0.842 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624586 489712557 /nfs/dbraw/zinc/71/25/57/489712557.db2.gz ZCOHZBSJWNCJHP-UONOGXRCSA-N 2 1 365.444 0.806 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627339 489712597 /nfs/dbraw/zinc/71/25/97/489712597.db2.gz AVZIZKZUFHASBD-HKUYNNGSSA-N 3 1 369.554 0.813 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459257655 489723976 /nfs/dbraw/zinc/72/39/76/489723976.db2.gz JOTILYOLEXQNRW-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000418786040 489726970 /nfs/dbraw/zinc/72/69/70/489726970.db2.gz HWDRERSQLAQCBV-KLHDSHLOSA-N 2 1 352.479 0.653 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000418786040 489726973 /nfs/dbraw/zinc/72/69/73/489726973.db2.gz HWDRERSQLAQCBV-KLHDSHLOSA-N 2 1 352.479 0.653 20 0 FCADMP COCC[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376045697 489729815 /nfs/dbraw/zinc/72/98/15/489729815.db2.gz XDHIRWJIRPATQK-UHFFFAOYSA-N 2 1 350.467 0.946 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000555809371 491274599 /nfs/dbraw/zinc/27/45/99/491274599.db2.gz LBZFRTXBBXFCMS-CAOSSQGBSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000555809371 491274601 /nfs/dbraw/zinc/27/46/01/491274601.db2.gz LBZFRTXBBXFCMS-CAOSSQGBSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000555809371 491274603 /nfs/dbraw/zinc/27/46/03/491274603.db2.gz LBZFRTXBBXFCMS-CAOSSQGBSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000555809371 491274606 /nfs/dbraw/zinc/27/46/06/491274606.db2.gz LBZFRTXBBXFCMS-CAOSSQGBSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000555809728 491274686 /nfs/dbraw/zinc/27/46/86/491274686.db2.gz SMPKDAMKHITCDP-ILXRZTDVSA-N 2 1 356.511 0.447 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000489910284 489734779 /nfs/dbraw/zinc/73/47/79/489734779.db2.gz WATNWOCTIILNLN-OAHLLOKOSA-N 2 1 368.503 0.196 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000489910284 489734780 /nfs/dbraw/zinc/73/47/80/489734780.db2.gz WATNWOCTIILNLN-OAHLLOKOSA-N 2 1 368.503 0.196 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000418826363 489741368 /nfs/dbraw/zinc/74/13/68/489741368.db2.gz CNPRWFKHOBNTBE-INIZCTEOSA-N 2 1 362.474 0.991 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418827829 489742389 /nfs/dbraw/zinc/74/23/89/489742389.db2.gz HGLBBZACNFELGO-JKSUJKDBSA-N 2 1 366.506 0.333 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000418827763 489742424 /nfs/dbraw/zinc/74/24/24/489742424.db2.gz DYONQXFWFOIWDD-AWEZNQCLSA-N 2 1 350.463 0.976 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+](C)C ZINC000418829920 489742990 /nfs/dbraw/zinc/74/29/90/489742990.db2.gz FCIOMBOQBVPGIK-KRWDZBQOSA-N 2 1 374.485 0.840 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418832223 489744647 /nfs/dbraw/zinc/74/46/47/489744647.db2.gz LZBSTVRIJJOWOJ-JKSUJKDBSA-N 2 1 366.506 0.381 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000418833872 489745241 /nfs/dbraw/zinc/74/52/41/489745241.db2.gz NYEIOLUWQHFOIY-HNNXBMFYSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000418836037 489746743 /nfs/dbraw/zinc/74/67/43/489746743.db2.gz OTOVJRUXADEKDB-HZPDHXFCSA-N 2 1 362.474 0.991 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000418836038 489747127 /nfs/dbraw/zinc/74/71/27/489747127.db2.gz OTOVJRUXADEKDB-JKSUJKDBSA-N 2 1 362.474 0.991 20 0 FCADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000430565528 489747527 /nfs/dbraw/zinc/74/75/27/489747527.db2.gz ABGCWCAALUKVKX-UHFFFAOYSA-N 2 1 372.517 0.979 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418836953 489747666 /nfs/dbraw/zinc/74/76/66/489747666.db2.gz SFSXJFTYEJIOKJ-INIZCTEOSA-N 2 1 366.506 0.478 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418838395 489749207 /nfs/dbraw/zinc/74/92/07/489749207.db2.gz VEKMYEAMCKEIIE-HZPDHXFCSA-N 2 1 362.474 0.989 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000430602109 489750397 /nfs/dbraw/zinc/75/03/97/489750397.db2.gz GFPLQPTUMQBXLU-STQMWFEESA-N 2 1 364.412 0.574 20 0 FCADMP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430602208 489750539 /nfs/dbraw/zinc/75/05/39/489750539.db2.gz GMQRCSFHVQMNRB-UONOGXRCSA-N 2 1 352.504 0.582 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430598303 489751134 /nfs/dbraw/zinc/75/11/34/489751134.db2.gz CHJIAMDKZBPAPH-ZBFHGGJFSA-N 2 1 360.458 0.413 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430607884 489751808 /nfs/dbraw/zinc/75/18/08/489751808.db2.gz ZRKVWPDKUJFJMV-OAHLLOKOSA-N 2 1 373.457 0.479 20 0 FCADMP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608515 489752727 /nfs/dbraw/zinc/75/27/27/489752727.db2.gz FSKFMFRFNSVPIR-AEFFLSMTSA-N 2 1 360.502 0.829 20 0 FCADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613944 489753490 /nfs/dbraw/zinc/75/34/90/489753490.db2.gz XVJGQXQBSNYIBY-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCN1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000459805149 489754396 /nfs/dbraw/zinc/75/43/96/489754396.db2.gz DCZHKPIKSHFTDI-KDURUIRLSA-N 2 1 370.497 0.741 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000418848152 489754466 /nfs/dbraw/zinc/75/44/66/489754466.db2.gz KRYRRHDQVCFUCZ-LZWOXQAQSA-N 2 1 362.474 0.671 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000418850795 489756369 /nfs/dbraw/zinc/75/63/69/489756369.db2.gz OOIKWKHZIIVJJW-BPUTZDHNSA-N 2 1 362.474 0.658 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000430623527 489756665 /nfs/dbraw/zinc/75/66/65/489756665.db2.gz HBVWXPGFDPBLMB-MRXNPFEDSA-N 2 1 358.486 0.621 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000418850526 489756816 /nfs/dbraw/zinc/75/68/16/489756816.db2.gz OFBRXVGWBKKIBR-KJFZJZGVSA-N 2 1 374.485 0.813 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630639 489757473 /nfs/dbraw/zinc/75/74/73/489757473.db2.gz RSUITSAAGGAYJT-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625699 489757670 /nfs/dbraw/zinc/75/76/70/489757670.db2.gz KZAORBJKDZBFTR-LJQANCHMSA-N 2 1 372.513 0.798 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642072 489760976 /nfs/dbraw/zinc/76/09/76/489760976.db2.gz UPCSMQVGOUPZIQ-STQMWFEESA-N 2 1 362.430 0.529 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418867946 489765803 /nfs/dbraw/zinc/76/58/03/489765803.db2.gz VHWJTGKJOCLCOA-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871086 489767535 /nfs/dbraw/zinc/76/75/35/489767535.db2.gz ZLHRPUUOXZOWMF-YLJYHZDGSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418876555 489771052 /nfs/dbraw/zinc/77/10/52/489771052.db2.gz GOYBJRSXJQDDHM-BXUZGUMPSA-N 2 1 356.829 0.663 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000459858926 489771638 /nfs/dbraw/zinc/77/16/38/489771638.db2.gz FHEHEEJFMHFFSM-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000459858926 489771641 /nfs/dbraw/zinc/77/16/41/489771641.db2.gz FHEHEEJFMHFFSM-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418879242 489772645 /nfs/dbraw/zinc/77/26/45/489772645.db2.gz NBPPYUVYEWNUJN-QZTJIDSGSA-N 2 1 374.485 0.209 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000459864076 489772770 /nfs/dbraw/zinc/77/27/70/489772770.db2.gz JVUFWOPFEMXVAE-GOSISDBHSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H](C)[NH2+]1 ZINC000418884973 489774381 /nfs/dbraw/zinc/77/43/81/489774381.db2.gz XSWSTYOEVVQIRE-DAYGRLMNSA-N 2 1 374.485 0.078 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418883352 489774895 /nfs/dbraw/zinc/77/48/95/489774895.db2.gz UZSHUKHEUVYPOY-ZWKOTPCHSA-N 2 1 374.485 0.080 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(C[NH2+]C)CC2)ccc1C ZINC000430922622 489777211 /nfs/dbraw/zinc/77/72/11/489777211.db2.gz BNNUCPIOPFLNHB-UHFFFAOYSA-N 2 1 368.503 0.773 20 0 FCADMP C[C@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430932012 489778607 /nfs/dbraw/zinc/77/86/07/489778607.db2.gz DCPQUYLLAPBQBG-BBRMVZONSA-N 2 1 368.503 0.052 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431023882 489785290 /nfs/dbraw/zinc/78/52/90/489785290.db2.gz SUPXNJWFERNYEB-UHFFFAOYSA-N 2 1 366.487 0.656 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000418919726 489791914 /nfs/dbraw/zinc/79/19/14/489791914.db2.gz KIBWDGZSALEAID-OAHLLOKOSA-N 2 1 354.495 0.237 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298276 489799829 /nfs/dbraw/zinc/79/98/29/489799829.db2.gz TVYYDTYQQSAQBA-WBVHZDCISA-N 2 1 365.522 0.761 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 ZINC000475146763 489808119 /nfs/dbraw/zinc/80/81/19/489808119.db2.gz YLIGXULZDQXXBX-HNNXBMFYSA-N 2 1 373.457 0.080 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC000459994362 489811833 /nfs/dbraw/zinc/81/18/33/489811833.db2.gz UZWUSYYQYWLONO-GOSISDBHSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000459995393 489811917 /nfs/dbraw/zinc/81/19/17/489811917.db2.gz NRIHQXNKPOHKKL-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000459995393 489811920 /nfs/dbraw/zinc/81/19/20/489811920.db2.gz NRIHQXNKPOHKKL-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995393 489811923 /nfs/dbraw/zinc/81/19/23/489811923.db2.gz NRIHQXNKPOHKKL-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995393 489811926 /nfs/dbraw/zinc/81/19/26/489811926.db2.gz NRIHQXNKPOHKKL-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000459995465 489813027 /nfs/dbraw/zinc/81/30/27/489813027.db2.gz OIEMYZBUDFXGDC-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000459995465 489813032 /nfs/dbraw/zinc/81/30/32/489813032.db2.gz OIEMYZBUDFXGDC-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000459995465 489813034 /nfs/dbraw/zinc/81/30/34/489813034.db2.gz OIEMYZBUDFXGDC-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)CC2)c1 ZINC000460020621 489820685 /nfs/dbraw/zinc/82/06/85/489820685.db2.gz ZJXPBVAORHZTEM-UHFFFAOYSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)CC2)c1 ZINC000460020621 489820690 /nfs/dbraw/zinc/82/06/90/489820690.db2.gz ZJXPBVAORHZTEM-UHFFFAOYSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)o1 ZINC000460024043 489821778 /nfs/dbraw/zinc/82/17/78/489821778.db2.gz VBPGRRCWJLBQKM-DOTOQJQBSA-N 2 1 362.474 0.641 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000460030411 489823538 /nfs/dbraw/zinc/82/35/38/489823538.db2.gz AASOLLVALKHZQN-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC000460030411 489823542 /nfs/dbraw/zinc/82/35/42/489823542.db2.gz AASOLLVALKHZQN-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419030656 489825118 /nfs/dbraw/zinc/82/51/18/489825118.db2.gz UHIJLRXFIUZORW-OWCLPIDISA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419031997 489825935 /nfs/dbraw/zinc/82/59/35/489825935.db2.gz VXBHULWHPPHBRB-RCJHGTSTSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033139 489826424 /nfs/dbraw/zinc/82/64/24/489826424.db2.gz XVBHSRQTLUWIKS-HOTGVXAUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419032477 489826438 /nfs/dbraw/zinc/82/64/38/489826438.db2.gz WSLLEYCRXWPPQK-TWMKSMIVSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419032006 489826521 /nfs/dbraw/zinc/82/65/21/489826521.db2.gz VXBHULWHPPHBRB-YYAJDYIMSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419034030 489827585 /nfs/dbraw/zinc/82/75/85/489827585.db2.gz YYIVQSXTFXNRSP-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000419035718 489828442 /nfs/dbraw/zinc/82/84/42/489828442.db2.gz ZLKHFBBYHKDNON-FQEVSTJZSA-N 2 1 358.486 0.967 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000419040088 489830562 /nfs/dbraw/zinc/83/05/62/489830562.db2.gz LUHFHKAAAMOBEZ-VQHPVUNQSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419045337 489832071 /nfs/dbraw/zinc/83/20/71/489832071.db2.gz NQIJAPDORXYMFU-BPQIPLTHSA-N 2 1 374.485 0.514 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050702 489835277 /nfs/dbraw/zinc/83/52/77/489835277.db2.gz YUYCRGTWOQHONG-RANZSIQMSA-N 2 1 356.470 0.758 20 0 FCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000492805980 489836950 /nfs/dbraw/zinc/83/69/50/489836950.db2.gz HDVXTVZZILQJCT-GOSISDBHSA-N 2 1 360.502 0.676 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000492805980 489836953 /nfs/dbraw/zinc/83/69/53/489836953.db2.gz HDVXTVZZILQJCT-GOSISDBHSA-N 2 1 360.502 0.676 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419058184 489838027 /nfs/dbraw/zinc/83/80/27/489838027.db2.gz BIBOJEDTZYYAHF-APIJFGDWSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419058184 489838032 /nfs/dbraw/zinc/83/80/32/489838032.db2.gz BIBOJEDTZYYAHF-APIJFGDWSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CCO1 ZINC000419071433 489845261 /nfs/dbraw/zinc/84/52/61/489845261.db2.gz LFEMBCCJMMGNBY-HNNXBMFYSA-N 2 1 374.485 0.521 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CCO1 ZINC000419071433 489845264 /nfs/dbraw/zinc/84/52/64/489845264.db2.gz LFEMBCCJMMGNBY-HNNXBMFYSA-N 2 1 374.485 0.521 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419079965 489847960 /nfs/dbraw/zinc/84/79/60/489847960.db2.gz NYGBTTPTALMKHL-YVSFHVDLSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419080889 489849435 /nfs/dbraw/zinc/84/94/35/489849435.db2.gz QMWKTKZWIARYBR-YLFCFFPRSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419081637 489849679 /nfs/dbraw/zinc/84/96/79/489849679.db2.gz IISCLRGUIMDINH-BARDWOONSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419081637 489849680 /nfs/dbraw/zinc/84/96/80/489849680.db2.gz IISCLRGUIMDINH-BARDWOONSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419086658 489851424 /nfs/dbraw/zinc/85/14/24/489851424.db2.gz OIVBVBIDJZKUHF-GASCZTMLSA-N 2 1 368.522 0.768 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419086658 489851428 /nfs/dbraw/zinc/85/14/28/489851428.db2.gz OIVBVBIDJZKUHF-GASCZTMLSA-N 2 1 368.522 0.768 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419091389 489852595 /nfs/dbraw/zinc/85/25/95/489852595.db2.gz GNDKGQKYGVCTBG-AWEZNQCLSA-N 2 1 372.391 0.813 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419092959 489853171 /nfs/dbraw/zinc/85/31/71/489853171.db2.gz IKHBPVVXONJOMS-CYBMUJFWSA-N 2 1 358.364 0.471 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419092959 489853173 /nfs/dbraw/zinc/85/31/73/489853173.db2.gz IKHBPVVXONJOMS-CYBMUJFWSA-N 2 1 358.364 0.471 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419092358 489853585 /nfs/dbraw/zinc/85/35/85/489853585.db2.gz XEOUEVLDRTXADS-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419092358 489853591 /nfs/dbraw/zinc/85/35/91/489853591.db2.gz XEOUEVLDRTXADS-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102951 489855855 /nfs/dbraw/zinc/85/58/55/489855855.db2.gz RSYIMTOQEQVLRI-BXUZGUMPSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102951 489855862 /nfs/dbraw/zinc/85/58/62/489855862.db2.gz RSYIMTOQEQVLRI-BXUZGUMPSA-N 2 1 372.391 0.859 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000460234333 489856692 /nfs/dbraw/zinc/85/66/92/489856692.db2.gz WZQYDTVHAUYMGH-IEBWSBKVSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000460234333 489856696 /nfs/dbraw/zinc/85/66/96/489856696.db2.gz WZQYDTVHAUYMGH-IEBWSBKVSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000460234333 489856702 /nfs/dbraw/zinc/85/67/02/489856702.db2.gz WZQYDTVHAUYMGH-IEBWSBKVSA-N 2 1 362.474 0.119 20 0 FCADMP COc1cccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000460237823 489857302 /nfs/dbraw/zinc/85/73/02/489857302.db2.gz BLDCOZCKOGZLDC-AEFFLSMTSA-N 2 1 350.463 0.664 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109941 489858793 /nfs/dbraw/zinc/85/87/93/489858793.db2.gz BJXUQHIHKCSSDK-HZPDHXFCSA-N 2 1 354.495 0.189 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419115746 489862388 /nfs/dbraw/zinc/86/23/88/489862388.db2.gz KJSSZUKCGYGPPF-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419119454 489864447 /nfs/dbraw/zinc/86/44/47/489864447.db2.gz JVYNHBATMRVRFC-AEFFLSMTSA-N 2 1 373.501 0.935 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000419123354 489867311 /nfs/dbraw/zinc/86/73/11/489867311.db2.gz VRYKUQFRTHWKQT-MRXNPFEDSA-N 2 1 370.538 0.683 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000419982229 489871851 /nfs/dbraw/zinc/87/18/51/489871851.db2.gz AXYRHULTBIHXJN-OAHLLOKOSA-N 2 1 362.474 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000419982229 489871854 /nfs/dbraw/zinc/87/18/54/489871854.db2.gz AXYRHULTBIHXJN-OAHLLOKOSA-N 2 1 362.474 0.583 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000433463494 489886702 /nfs/dbraw/zinc/88/67/02/489886702.db2.gz REVWWLBXZDHXMG-MRXNPFEDSA-N 2 1 356.511 0.585 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433466224 489887137 /nfs/dbraw/zinc/88/71/37/489887137.db2.gz LWIICSPFXSJLGZ-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433466224 489887141 /nfs/dbraw/zinc/88/71/41/489887141.db2.gz LWIICSPFXSJLGZ-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058180 489896657 /nfs/dbraw/zinc/89/66/57/489896657.db2.gz OATVLXQFAYELSX-YOEHRIQHSA-N 2 1 366.506 0.332 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069220 489902604 /nfs/dbraw/zinc/90/26/04/489902604.db2.gz VNMMYJPCABRDPI-ROUUACIJSA-N 2 1 373.501 0.748 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420073500 489903529 /nfs/dbraw/zinc/90/35/29/489903529.db2.gz GRJXINLQMZXENT-UHFFFAOYSA-N 2 1 356.511 0.437 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000494713826 489907035 /nfs/dbraw/zinc/90/70/35/489907035.db2.gz VLTUEVGZGHTJJR-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420109205 489915754 /nfs/dbraw/zinc/91/57/54/489915754.db2.gz ANDKGSWXDFCCKR-KFWWJZLASA-N 2 1 354.495 0.058 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434267425 489919494 /nfs/dbraw/zinc/91/94/94/489919494.db2.gz DQYPWKHGGHNPPA-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434267425 489919499 /nfs/dbraw/zinc/91/94/99/489919499.db2.gz DQYPWKHGGHNPPA-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000477036557 489934587 /nfs/dbraw/zinc/93/45/87/489934587.db2.gz UMYLOMRMVIHCOQ-JYJNAYRXSA-N 2 1 370.538 0.837 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420157831 489935034 /nfs/dbraw/zinc/93/50/34/489935034.db2.gz XQSDJSDPDZXYIK-AWEZNQCLSA-N 2 1 368.428 0.820 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420157831 489935036 /nfs/dbraw/zinc/93/50/36/489935036.db2.gz XQSDJSDPDZXYIK-AWEZNQCLSA-N 2 1 368.428 0.820 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000477055141 489935820 /nfs/dbraw/zinc/93/58/20/489935820.db2.gz HMZTVABVAOFRIS-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420174806 489940940 /nfs/dbraw/zinc/94/09/40/489940940.db2.gz ZFTKWSRWWKEQEX-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420174806 489940945 /nfs/dbraw/zinc/94/09/45/489940945.db2.gz ZFTKWSRWWKEQEX-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420180006 489942400 /nfs/dbraw/zinc/94/24/00/489942400.db2.gz WJXDGKAFCVTXDT-HNNXBMFYSA-N 2 1 368.428 0.820 20 0 FCADMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420180006 489942403 /nfs/dbraw/zinc/94/24/03/489942403.db2.gz WJXDGKAFCVTXDT-HNNXBMFYSA-N 2 1 368.428 0.820 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420201442 489950471 /nfs/dbraw/zinc/95/04/71/489950471.db2.gz OQMCHBWPUVSMHB-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420201442 489950473 /nfs/dbraw/zinc/95/04/73/489950473.db2.gz OQMCHBWPUVSMHB-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377734741 489950555 /nfs/dbraw/zinc/95/05/55/489950555.db2.gz OQTUPUZOSLQPCD-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC(C[NH+](C)[C@H](C)CN1CCOCC1)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713777 489951054 /nfs/dbraw/zinc/95/10/54/489951054.db2.gz KHBXVDOUWYMFOY-WOJBJXKFSA-N 2 1 370.582 0.928 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC[NH+]2CCSCC2)([NH+](C)C)C1 ZINC000477304698 489957123 /nfs/dbraw/zinc/95/71/23/489957123.db2.gz YOANOIPXDJJIFW-CRAIPNDOSA-N 2 1 370.563 0.778 20 0 FCADMP COC(=O)c1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc(C(=O)OC)c1 ZINC000420270831 489959495 /nfs/dbraw/zinc/95/94/95/489959495.db2.gz JPCXFBQZCUXPIR-UHFFFAOYSA-N 2 1 363.414 0.869 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327216 489963445 /nfs/dbraw/zinc/96/34/45/489963445.db2.gz LBCTZTXXCPPLML-IAGOWNOFSA-N 2 1 358.490 0.447 20 0 FCADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349666 489966586 /nfs/dbraw/zinc/96/65/86/489966586.db2.gz PZYCWCCYOMMSSR-ROUUACIJSA-N 2 1 360.502 0.858 20 0 FCADMP CCCCN(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000420362898 489967380 /nfs/dbraw/zinc/96/73/80/489967380.db2.gz NGEIANNFAWIXFH-LSDHHAIUSA-N 2 1 359.536 0.780 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000556083850 491293496 /nfs/dbraw/zinc/29/34/96/491293496.db2.gz GGDOITYVCNQBCB-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374765 489969427 /nfs/dbraw/zinc/96/94/27/489969427.db2.gz SJLIKEXXHAEMSI-MSOLQXFVSA-N 2 1 354.539 0.957 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420383308 489969697 /nfs/dbraw/zinc/96/96/97/489969697.db2.gz SSFLBXHGPJIUNB-GJYPPUQNSA-N 2 1 360.502 0.803 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000477613336 489977772 /nfs/dbraw/zinc/97/77/72/489977772.db2.gz HDXZRMNVGQKIBQ-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000477613336 489977775 /nfs/dbraw/zinc/97/77/75/489977775.db2.gz HDXZRMNVGQKIBQ-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477615634 489977806 /nfs/dbraw/zinc/97/78/06/489977806.db2.gz MGSYMNGTUXZSSM-WBVHZDCISA-N 2 1 368.522 0.545 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000477639122 489980529 /nfs/dbraw/zinc/98/05/29/489980529.db2.gz DRRGFQZJGKTRSW-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1)Cc1ccccc1 ZINC000463109645 490001665 /nfs/dbraw/zinc/00/16/65/490001665.db2.gz WYQAOXKJQVJSSE-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2COC[C@H]2O)CC1)Cc1ccccc1 ZINC000463109644 490001689 /nfs/dbraw/zinc/00/16/89/490001689.db2.gz WYQAOXKJQVJSSE-RBUKOAKNSA-N 2 1 361.486 0.706 20 0 FCADMP CNc1nc(N(C)C[C@@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420643928 490003689 /nfs/dbraw/zinc/00/36/89/490003689.db2.gz XYXOQQBGOBYZJE-GJZGRUSLSA-N 2 1 362.526 0.396 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085948 491293762 /nfs/dbraw/zinc/29/37/62/491293762.db2.gz YSWAXLJQDRGXJJ-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085948 491293766 /nfs/dbraw/zinc/29/37/66/491293766.db2.gz YSWAXLJQDRGXJJ-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085948 491293769 /nfs/dbraw/zinc/29/37/69/491293769.db2.gz YSWAXLJQDRGXJJ-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000378113776 490012245 /nfs/dbraw/zinc/01/22/45/490012245.db2.gz HIANDHOJNNOYAI-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000378113776 490012249 /nfs/dbraw/zinc/01/22/49/490012249.db2.gz HIANDHOJNNOYAI-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000420770804 490021571 /nfs/dbraw/zinc/02/15/71/490021571.db2.gz QUNHNAWPFZTOSQ-GJZGRUSLSA-N 2 1 350.463 0.940 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000420770804 490021574 /nfs/dbraw/zinc/02/15/74/490021574.db2.gz QUNHNAWPFZTOSQ-GJZGRUSLSA-N 2 1 350.463 0.940 20 0 FCADMP COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283891 490039717 /nfs/dbraw/zinc/03/97/17/490039717.db2.gz PMGYKPAJCULSLJ-JSGCOSHPSA-N 2 1 355.398 0.945 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057653 490065926 /nfs/dbraw/zinc/06/59/26/490065926.db2.gz HOGDFECTHQADEB-CHWSQXEVSA-N 2 1 354.476 0.722 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000571267785 491296810 /nfs/dbraw/zinc/29/68/10/491296810.db2.gz GEBUVWQWEZDPDL-KSZLIROESA-N 2 1 368.522 0.881 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000443355402 490070717 /nfs/dbraw/zinc/07/07/17/490070717.db2.gz APUFMHUHSIPVIU-HOCLYGCPSA-N 2 1 370.457 1.537 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000443355398 490070855 /nfs/dbraw/zinc/07/08/55/490070855.db2.gz APUFMHUHSIPVIU-GDBMZVCRSA-N 2 1 370.457 1.537 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000519810849 490087091 /nfs/dbraw/zinc/08/70/91/490087091.db2.gz FLEMERRANVIDIZ-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000519822405 490091445 /nfs/dbraw/zinc/09/14/45/490091445.db2.gz XOVAQOCPYLSTIU-FGTMMUONSA-N 2 1 356.470 0.050 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000519822405 490091447 /nfs/dbraw/zinc/09/14/47/490091447.db2.gz XOVAQOCPYLSTIU-FGTMMUONSA-N 2 1 356.470 0.050 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496320624 490112645 /nfs/dbraw/zinc/11/26/45/490112645.db2.gz DKUSQRLVTPOCPQ-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000520216842 490117390 /nfs/dbraw/zinc/11/73/90/490117390.db2.gz MSJUZJJHCBAZJZ-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414218 490120393 /nfs/dbraw/zinc/12/03/93/490120393.db2.gz VRFNAQGCOOZSPU-AEFFLSMTSA-N 2 1 356.511 0.347 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414218 490120400 /nfs/dbraw/zinc/12/04/00/490120400.db2.gz VRFNAQGCOOZSPU-AEFFLSMTSA-N 2 1 356.511 0.347 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCOCC1 ZINC000465445875 490121590 /nfs/dbraw/zinc/12/15/90/490121590.db2.gz ZZVCFHJANVEUKP-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000465445875 490121595 /nfs/dbraw/zinc/12/15/95/490121595.db2.gz ZZVCFHJANVEUKP-SFHVURJKSA-N 3 1 369.554 0.766 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000465445875 490121597 /nfs/dbraw/zinc/12/15/97/490121597.db2.gz ZZVCFHJANVEUKP-SFHVURJKSA-N 3 1 369.554 0.766 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1 ZINC000520356759 490135117 /nfs/dbraw/zinc/13/51/17/490135117.db2.gz OXGJZJMNSKKYCM-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446051618 490150954 /nfs/dbraw/zinc/15/09/54/490150954.db2.gz IEYWGVOQHHTXOZ-MRXNPFEDSA-N 2 1 361.490 0.091 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000556205437 491303033 /nfs/dbraw/zinc/30/30/33/491303033.db2.gz PBUPRLHRCSBFQO-KRWDZBQOSA-N 2 1 354.520 0.094 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465947707 490155731 /nfs/dbraw/zinc/15/57/31/490155731.db2.gz AFBFACMDACDDRL-MRXNPFEDSA-N 2 1 364.494 0.858 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465947707 490155740 /nfs/dbraw/zinc/15/57/40/490155740.db2.gz AFBFACMDACDDRL-MRXNPFEDSA-N 2 1 364.494 0.858 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000556209282 491303507 /nfs/dbraw/zinc/30/35/07/491303507.db2.gz YXPFCBUFAGYYQN-JKIFEVAISA-N 2 1 356.536 0.481 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000556209282 491303509 /nfs/dbraw/zinc/30/35/09/491303509.db2.gz YXPFCBUFAGYYQN-JKIFEVAISA-N 2 1 356.536 0.481 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466294432 490175833 /nfs/dbraw/zinc/17/58/33/490175833.db2.gz YYPBOHNAOXPUII-IAGOWNOFSA-N 2 1 365.522 0.890 20 0 FCADMP CCN1CCN([C@@H]2CCN(C(=O)NCCOCC[NH+](CC)CC)C2)CC1 ZINC000546042058 490181704 /nfs/dbraw/zinc/18/17/04/490181704.db2.gz RKIRUUXUAJWIOE-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000571418783 491306317 /nfs/dbraw/zinc/30/63/17/491306317.db2.gz NNJZABZOMPKREG-OALUTQOASA-N 2 1 359.518 0.848 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571423017 491306870 /nfs/dbraw/zinc/30/68/70/491306870.db2.gz FRAXADSUMDVVOR-BRWVUGGUSA-N 2 1 368.522 0.591 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000521026825 490215346 /nfs/dbraw/zinc/21/53/46/490215346.db2.gz SJBLMEVMGNSCIA-DOTOQJQBSA-N 2 1 372.469 0.970 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000571442872 491308447 /nfs/dbraw/zinc/30/84/47/491308447.db2.gz YTYHAHNRPUBKJD-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000571442872 491308449 /nfs/dbraw/zinc/30/84/49/491308449.db2.gz YTYHAHNRPUBKJD-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000571442872 491308452 /nfs/dbraw/zinc/30/84/52/491308452.db2.gz YTYHAHNRPUBKJD-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000571442872 491308455 /nfs/dbraw/zinc/30/84/55/491308455.db2.gz YTYHAHNRPUBKJD-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000447422442 490233593 /nfs/dbraw/zinc/23/35/93/490233593.db2.gz LKCNOHJULRMSGS-UHFFFAOYSA-N 2 1 370.457 1.444 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(N)=O ZINC000521337857 490249315 /nfs/dbraw/zinc/24/93/15/490249315.db2.gz MHXUNTVAVIKDFV-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(N)=O ZINC000521337857 490249319 /nfs/dbraw/zinc/24/93/19/490249319.db2.gz MHXUNTVAVIKDFV-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000571521932 491312972 /nfs/dbraw/zinc/31/29/72/491312972.db2.gz FYCHUQKXBYISBX-QFBILLFUSA-N 2 1 368.522 0.579 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc2)CC1 ZINC000498221067 490274542 /nfs/dbraw/zinc/27/45/42/490274542.db2.gz FAXDIZKTXFVJLY-AWEZNQCLSA-N 2 1 354.401 0.924 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H]1C ZINC000498240003 490275805 /nfs/dbraw/zinc/27/58/05/490275805.db2.gz PKVRTIFMLMYJDN-PMPSAXMXSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H]1C ZINC000498240003 490275809 /nfs/dbraw/zinc/27/58/09/490275809.db2.gz PKVRTIFMLMYJDN-PMPSAXMXSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H]1C ZINC000498240003 490275812 /nfs/dbraw/zinc/27/58/12/490275812.db2.gz PKVRTIFMLMYJDN-PMPSAXMXSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000571546017 491314610 /nfs/dbraw/zinc/31/46/10/491314610.db2.gz OZASZLLWUSUMOF-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000571565651 491316201 /nfs/dbraw/zinc/31/62/01/491316201.db2.gz MBQJPEFDFHSOKJ-KRWDZBQOSA-N 2 1 367.538 0.057 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000483383386 490312080 /nfs/dbraw/zinc/31/20/80/490312080.db2.gz SJJWMACAPQGDLY-YYIAUSFCSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC000498576756 490315403 /nfs/dbraw/zinc/31/54/03/490315403.db2.gz VCEJIJKVIDFIHD-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC000498576756 490315405 /nfs/dbraw/zinc/31/54/05/490315405.db2.gz VCEJIJKVIDFIHD-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000521961051 490317004 /nfs/dbraw/zinc/31/70/04/490317004.db2.gz VPEIDOGARZPPKI-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000521961051 490317008 /nfs/dbraw/zinc/31/70/08/490317008.db2.gz VPEIDOGARZPPKI-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000467663165 490328230 /nfs/dbraw/zinc/32/82/30/490328230.db2.gz DECLAZMUXMKIPL-OAHLLOKOSA-N 2 1 373.457 0.478 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000467663165 490328232 /nfs/dbraw/zinc/32/82/32/490328232.db2.gz DECLAZMUXMKIPL-OAHLLOKOSA-N 2 1 373.457 0.478 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534275638 490340957 /nfs/dbraw/zinc/34/09/57/490340957.db2.gz BQWUCHJMJCBWFG-ROUUACIJSA-N 2 1 372.517 0.098 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534275638 490340968 /nfs/dbraw/zinc/34/09/68/490340968.db2.gz BQWUCHJMJCBWFG-ROUUACIJSA-N 2 1 372.517 0.098 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508635260 490342595 /nfs/dbraw/zinc/34/25/95/490342595.db2.gz XQMKTBJOQPBIGZ-KURKYZTESA-N 2 1 354.539 0.874 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138265 490345788 /nfs/dbraw/zinc/34/57/88/490345788.db2.gz VRDWFWQBUWXCKP-ZWKOTPCHSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138265 490345794 /nfs/dbraw/zinc/34/57/94/490345794.db2.gz VRDWFWQBUWXCKP-ZWKOTPCHSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138265 490345798 /nfs/dbraw/zinc/34/57/98/490345798.db2.gz VRDWFWQBUWXCKP-ZWKOTPCHSA-N 2 1 358.486 0.952 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626685 491319497 /nfs/dbraw/zinc/31/94/97/491319497.db2.gz PTIVKCAAKRNEHB-XWTMOSNGSA-N 2 1 356.470 0.683 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000422485673 490351071 /nfs/dbraw/zinc/35/10/71/490351071.db2.gz FJABGSRVZFQFHZ-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000422497012 490361605 /nfs/dbraw/zinc/36/16/05/490361605.db2.gz UYLXPNDSBULAGX-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccc(F)cc1 ZINC000571658171 491321107 /nfs/dbraw/zinc/32/11/07/491321107.db2.gz WMXDUMHYTSFSKV-SFHVURJKSA-N 2 1 363.481 0.947 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571659616 491321662 /nfs/dbraw/zinc/32/16/62/491321662.db2.gz KSUMLJQHUAIZFG-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571659616 491321665 /nfs/dbraw/zinc/32/16/65/491321665.db2.gz KSUMLJQHUAIZFG-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410993828 490378053 /nfs/dbraw/zinc/37/80/53/490378053.db2.gz ZEZSLOLMPTXESF-KSZLIROESA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410993828 490378057 /nfs/dbraw/zinc/37/80/57/490378057.db2.gz ZEZSLOLMPTXESF-KSZLIROESA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410993828 490378065 /nfs/dbraw/zinc/37/80/65/490378065.db2.gz ZEZSLOLMPTXESF-KSZLIROESA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000571662638 491321796 /nfs/dbraw/zinc/32/17/96/491321796.db2.gz WMJAQQROMGSKAZ-YJBOKZPZSA-N 2 1 370.563 0.921 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000522443035 490379012 /nfs/dbraw/zinc/37/90/12/490379012.db2.gz OGOVVYFMTVYUGA-GOSISDBHSA-N 2 1 369.554 0.360 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000522443035 490379021 /nfs/dbraw/zinc/37/90/21/490379021.db2.gz OGOVVYFMTVYUGA-GOSISDBHSA-N 2 1 369.554 0.360 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000522443035 490379025 /nfs/dbraw/zinc/37/90/25/490379025.db2.gz OGOVVYFMTVYUGA-GOSISDBHSA-N 2 1 369.554 0.360 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CCCC1 ZINC000564717801 491322150 /nfs/dbraw/zinc/32/21/50/491322150.db2.gz ABWQTYGBLHLYQE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1CCCC1 ZINC000564717801 491322153 /nfs/dbraw/zinc/32/21/53/491322153.db2.gz ABWQTYGBLHLYQE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1CCCC1 ZINC000564717801 491322155 /nfs/dbraw/zinc/32/21/55/491322155.db2.gz ABWQTYGBLHLYQE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000468416165 490399952 /nfs/dbraw/zinc/39/99/52/490399952.db2.gz GWRFGHJZTYLODG-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000468424749 490404136 /nfs/dbraw/zinc/40/41/36/490404136.db2.gz FMWJEGJYOCCATJ-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000548009299 490404337 /nfs/dbraw/zinc/40/43/37/490404337.db2.gz SLNDDHCCUNJKAM-ZWKOTPCHSA-N 2 1 363.506 0.982 20 0 FCADMP COc1nccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000449216368 490404389 /nfs/dbraw/zinc/40/43/89/490404389.db2.gz RRWXMJAFAJKFGP-KRWDZBQOSA-N 2 1 357.458 0.864 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484276760 490406927 /nfs/dbraw/zinc/40/69/27/490406927.db2.gz ANRCETLZYAOWBB-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1F ZINC000411237679 490412319 /nfs/dbraw/zinc/41/23/19/490412319.db2.gz BGCBYFAJGHMKTL-UHFFFAOYSA-N 2 1 366.437 0.915 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422638686 490438376 /nfs/dbraw/zinc/43/83/76/490438376.db2.gz QXEDYZSSDLJVTG-RDBSUJKOSA-N 2 1 362.478 0.129 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000509712041 490454158 /nfs/dbraw/zinc/45/41/58/490454158.db2.gz CLQWJKCDRIEQBI-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000509711095 490454581 /nfs/dbraw/zinc/45/45/81/490454581.db2.gz AGNMQQKNEFCZIJ-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909475 490476862 /nfs/dbraw/zinc/47/68/62/490476862.db2.gz SPRCSQBPUANTDF-HIFRSBDPSA-N 2 1 368.503 0.052 20 0 FCADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000571801501 491330124 /nfs/dbraw/zinc/33/01/24/491330124.db2.gz YDGJVFMPGUTASH-HDEZJCGLSA-N 2 1 366.506 0.101 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993185 490487340 /nfs/dbraw/zinc/48/73/40/490487340.db2.gz GZNJBQOZSCQDOE-LPHOPBHVSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993185 490487347 /nfs/dbraw/zinc/48/73/47/490487347.db2.gz GZNJBQOZSCQDOE-LPHOPBHVSA-N 2 1 372.513 0.935 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000571828265 491331630 /nfs/dbraw/zinc/33/16/30/491331630.db2.gz MXGNHKCHIZURGO-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968251 490507764 /nfs/dbraw/zinc/50/77/64/490507764.db2.gz VYKRBLNMWUJUOE-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000556749636 491332907 /nfs/dbraw/zinc/33/29/07/491332907.db2.gz MWGQVUHKZYVRPJ-FGTMMUONSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000556749636 491332910 /nfs/dbraw/zinc/33/29/10/491332910.db2.gz MWGQVUHKZYVRPJ-FGTMMUONSA-N 2 1 368.522 0.776 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423016781 490518667 /nfs/dbraw/zinc/51/86/67/490518667.db2.gz UOKLVSIINMCMPZ-ZWKOTPCHSA-N 2 1 358.486 0.740 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500456110 490519360 /nfs/dbraw/zinc/51/93/60/490519360.db2.gz IRUUNGUPOGPYSM-UHFFFAOYSA-N 2 1 361.490 0.802 20 0 FCADMP CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423062633 490534214 /nfs/dbraw/zinc/53/42/14/490534214.db2.gz UOLGZDMNSDDYMZ-ZWKOTPCHSA-N 2 1 374.485 0.296 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524423812 490537880 /nfs/dbraw/zinc/53/78/80/490537880.db2.gz GXHNWWDIWBFYQW-GOSISDBHSA-N 2 1 367.538 0.256 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000564897768 491334262 /nfs/dbraw/zinc/33/42/62/491334262.db2.gz ACCWUJJTOAJABI-KWJBXHGQSA-N 2 1 350.507 0.844 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000564897763 491334484 /nfs/dbraw/zinc/33/44/84/491334484.db2.gz ACCWUJJTOAJABI-DLXPNOHRSA-N 2 1 350.507 0.844 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1F ZINC000485564668 490543731 /nfs/dbraw/zinc/54/37/31/490543731.db2.gz CJURLMLFKVWDTO-UHFFFAOYSA-N 2 1 350.438 0.714 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC000500762971 490549459 /nfs/dbraw/zinc/54/94/59/490549459.db2.gz ITUAWUVOIVORAX-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC000500762971 490549462 /nfs/dbraw/zinc/54/94/62/490549462.db2.gz ITUAWUVOIVORAX-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847810 490563608 /nfs/dbraw/zinc/56/36/08/490563608.db2.gz RVFDAVLFSIAIEU-ZIFCJYIRSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847810 490563613 /nfs/dbraw/zinc/56/36/13/490563613.db2.gz RVFDAVLFSIAIEU-ZIFCJYIRSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847810 490563623 /nfs/dbraw/zinc/56/36/23/490563623.db2.gz RVFDAVLFSIAIEU-ZIFCJYIRSA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000524851871 490564570 /nfs/dbraw/zinc/56/45/70/490564570.db2.gz KDXCOBKYMDYDNG-SFHVURJKSA-N 2 1 354.539 0.923 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511136660 490565427 /nfs/dbraw/zinc/56/54/27/490565427.db2.gz JTTPCGDAJKVAAX-OAHLLOKOSA-N 2 1 374.551 0.190 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511136660 490565432 /nfs/dbraw/zinc/56/54/32/490565432.db2.gz JTTPCGDAJKVAAX-OAHLLOKOSA-N 2 1 374.551 0.190 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511151167 490566377 /nfs/dbraw/zinc/56/63/77/490566377.db2.gz MQIUKAOBQHILNX-KGLIPLIRSA-N 2 1 360.380 0.647 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000524925492 490570796 /nfs/dbraw/zinc/57/07/96/490570796.db2.gz YGLQKMVUBVHIPI-MRXNPFEDSA-N 2 1 355.527 0.111 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000564922545 491336976 /nfs/dbraw/zinc/33/69/76/491336976.db2.gz XEDQQCSSKAWJFO-MSOLQXFVSA-N 2 1 358.486 0.535 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000501172121 490586030 /nfs/dbraw/zinc/58/60/30/490586030.db2.gz GQKIDIQNLUKFCW-MRXNPFEDSA-N 2 1 368.522 0.213 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000486114323 490591566 /nfs/dbraw/zinc/59/15/66/490591566.db2.gz ALNKOPMDQBNQSA-CZUORRHYSA-N 2 1 359.474 0.597 20 0 FCADMP Cc1nccn1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000511420127 490593215 /nfs/dbraw/zinc/59/32/15/490593215.db2.gz IGCCDNWIPMLKND-HNNXBMFYSA-N 2 1 350.467 0.468 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000511420127 490593217 /nfs/dbraw/zinc/59/32/17/490593217.db2.gz IGCCDNWIPMLKND-HNNXBMFYSA-N 2 1 350.467 0.468 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000511420127 490593219 /nfs/dbraw/zinc/59/32/19/490593219.db2.gz IGCCDNWIPMLKND-HNNXBMFYSA-N 2 1 350.467 0.468 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374322 490600073 /nfs/dbraw/zinc/60/00/73/490600073.db2.gz BIKWYPDUUMNKNK-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374322 490600069 /nfs/dbraw/zinc/60/00/69/490600069.db2.gz BIKWYPDUUMNKNK-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374322 490600071 /nfs/dbraw/zinc/60/00/71/490600071.db2.gz BIKWYPDUUMNKNK-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000549985687 490617901 /nfs/dbraw/zinc/61/79/01/490617901.db2.gz MFDBRBPZMSZTSZ-GDBMZVCRSA-N 2 1 362.474 0.577 20 0 FCADMP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000536835645 490619354 /nfs/dbraw/zinc/61/93/54/490619354.db2.gz ZCSDMWWIKIXTIV-UHFFFAOYSA-N 2 1 355.504 0.974 20 0 FCADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686642 490620930 /nfs/dbraw/zinc/62/09/30/490620930.db2.gz XTMKGRAHNAZXQM-INIZCTEOSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCC[N@H+]1C ZINC000501636745 490627908 /nfs/dbraw/zinc/62/79/08/490627908.db2.gz HWZZREILXZNROI-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636745 490627911 /nfs/dbraw/zinc/62/79/11/490627911.db2.gz HWZZREILXZNROI-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636745 490627916 /nfs/dbraw/zinc/62/79/16/490627916.db2.gz HWZZREILXZNROI-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1[NH+](C)C ZINC000501632855 490628346 /nfs/dbraw/zinc/62/83/46/490628346.db2.gz BJDKZQFWKXDWBJ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCC[N@H+]1C ZINC000501636747 490628402 /nfs/dbraw/zinc/62/84/02/490628402.db2.gz HWZZREILXZNROI-PVAVHDDUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636747 490628406 /nfs/dbraw/zinc/62/84/06/490628406.db2.gz HWZZREILXZNROI-PVAVHDDUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636747 490628411 /nfs/dbraw/zinc/62/84/11/490628411.db2.gz HWZZREILXZNROI-PVAVHDDUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)(N2CCOCC2)CC1 ZINC000556849164 491341299 /nfs/dbraw/zinc/34/12/99/491341299.db2.gz JJDICZJUBMWWAM-MRXNPFEDSA-N 2 1 365.522 0.319 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000525815359 490636724 /nfs/dbraw/zinc/63/67/24/490636724.db2.gz NUBPOUCKPXJBRQ-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000486475796 490637362 /nfs/dbraw/zinc/63/73/62/490637362.db2.gz BEQSEQRTOAFOTR-JKSUJKDBSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000486475796 490637367 /nfs/dbraw/zinc/63/73/67/490637367.db2.gz BEQSEQRTOAFOTR-JKSUJKDBSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000486475796 490637373 /nfs/dbraw/zinc/63/73/73/490637373.db2.gz BEQSEQRTOAFOTR-JKSUJKDBSA-N 2 1 353.511 0.555 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)C(C)(C)CCC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000486659259 490657905 /nfs/dbraw/zinc/65/79/05/490657905.db2.gz RZGAYTOLETZYRY-HOTGVXAUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)CCC(C)(C)C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000486659259 490657906 /nfs/dbraw/zinc/65/79/06/490657906.db2.gz RZGAYTOLETZYRY-HOTGVXAUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)CCC(C)(C)C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000486659259 490657908 /nfs/dbraw/zinc/65/79/08/490657908.db2.gz RZGAYTOLETZYRY-HOTGVXAUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486721759 490664195 /nfs/dbraw/zinc/66/41/95/490664195.db2.gz ICGGEKWPRKBDBI-VQHPVUNQSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486721759 490664200 /nfs/dbraw/zinc/66/42/00/490664200.db2.gz ICGGEKWPRKBDBI-VQHPVUNQSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486721759 490664206 /nfs/dbraw/zinc/66/42/06/490664206.db2.gz ICGGEKWPRKBDBI-VQHPVUNQSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000572025011 491343780 /nfs/dbraw/zinc/34/37/80/491343780.db2.gz LUTOHLCVVPHGAJ-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(=O)OC)cn1 ZINC000502075571 490674651 /nfs/dbraw/zinc/67/46/51/490674651.db2.gz OJTOQGZFRYLRIE-AWEZNQCLSA-N 2 1 363.462 0.751 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486989798 490684881 /nfs/dbraw/zinc/68/48/81/490684881.db2.gz NLTWVNNVWFHGSY-LTIDMASMSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486989798 490684886 /nfs/dbraw/zinc/68/48/86/490684886.db2.gz NLTWVNNVWFHGSY-LTIDMASMSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486989798 490684891 /nfs/dbraw/zinc/68/48/91/490684891.db2.gz NLTWVNNVWFHGSY-LTIDMASMSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C)C1 ZINC000487048836 490689719 /nfs/dbraw/zinc/68/97/19/490689719.db2.gz QPHDVEYUWUURSG-OVYGPGRDSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@H](C)C1 ZINC000487048836 490689721 /nfs/dbraw/zinc/68/97/21/490689721.db2.gz QPHDVEYUWUURSG-OVYGPGRDSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@H](C)C1 ZINC000487048836 490689722 /nfs/dbraw/zinc/68/97/22/490689722.db2.gz QPHDVEYUWUURSG-OVYGPGRDSA-N 2 1 350.507 0.441 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C2([NH3+])CCOCC2)[C@H](c2ccccc2)C1 ZINC000512956542 490705204 /nfs/dbraw/zinc/70/52/04/490705204.db2.gz ZCPZJPNDQTYBRO-SFHVURJKSA-N 2 1 360.502 0.989 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C2([NH3+])CCOCC2)[C@H](c2ccccc2)C1 ZINC000512956542 490705208 /nfs/dbraw/zinc/70/52/08/490705208.db2.gz ZCPZJPNDQTYBRO-SFHVURJKSA-N 2 1 360.502 0.989 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C2([NH3+])CCOCC2)[C@H](c2ccccc2)C1 ZINC000512956542 490705211 /nfs/dbraw/zinc/70/52/11/490705211.db2.gz ZCPZJPNDQTYBRO-SFHVURJKSA-N 2 1 360.502 0.989 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+](CCO)[C@H]3CCCSC3)cn2)CC1 ZINC000527241739 490710350 /nfs/dbraw/zinc/71/03/50/490710350.db2.gz OIJVDIQHNRBLSR-INIZCTEOSA-N 2 1 351.520 0.918 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)[C@H]3CCCSC3)cn2)CC1 ZINC000527241739 490710354 /nfs/dbraw/zinc/71/03/54/490710354.db2.gz OIJVDIQHNRBLSR-INIZCTEOSA-N 2 1 351.520 0.918 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000487444032 490713008 /nfs/dbraw/zinc/71/30/08/490713008.db2.gz SMKDTVWAJPQIAZ-LSDHHAIUSA-N 2 1 363.524 0.473 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000487444032 490713011 /nfs/dbraw/zinc/71/30/11/490713011.db2.gz SMKDTVWAJPQIAZ-LSDHHAIUSA-N 2 1 363.524 0.473 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557001614 491348851 /nfs/dbraw/zinc/34/88/51/491348851.db2.gz UPIHXHPWQYSVJI-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CC(C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305484 490716116 /nfs/dbraw/zinc/71/61/16/490716116.db2.gz BQCVYUXAZLTSRA-UXJCHEOYSA-N 2 1 362.518 0.794 20 0 FCADMP CC(C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305484 490716117 /nfs/dbraw/zinc/71/61/17/490716117.db2.gz BQCVYUXAZLTSRA-UXJCHEOYSA-N 2 1 362.518 0.794 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478352 490733246 /nfs/dbraw/zinc/73/32/46/490733246.db2.gz XEVMISRSMLQDIE-JKSUJKDBSA-N 2 1 370.538 0.696 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000488190965 490750150 /nfs/dbraw/zinc/75/01/50/490750150.db2.gz GLKATQSZAIPNGV-FGTMMUONSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000488190965 490750153 /nfs/dbraw/zinc/75/01/53/490750153.db2.gz GLKATQSZAIPNGV-FGTMMUONSA-N 2 1 370.538 0.830 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC1=O ZINC000538922476 490757477 /nfs/dbraw/zinc/75/74/77/490757477.db2.gz VTDAAIPWGBPDPN-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC1=O ZINC000538922476 490757481 /nfs/dbraw/zinc/75/74/81/490757481.db2.gz VTDAAIPWGBPDPN-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1=O ZINC000538922476 490757483 /nfs/dbraw/zinc/75/74/83/490757483.db2.gz VTDAAIPWGBPDPN-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1CCN1CCOCC1 ZINC000539082088 490762476 /nfs/dbraw/zinc/76/24/76/490762476.db2.gz JQHYBUUKTHYCLC-GOSISDBHSA-N 2 1 364.534 0.916 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C[C@H]1C ZINC000514816671 490790548 /nfs/dbraw/zinc/79/05/48/490790548.db2.gz LHOYKRGTUSEQKS-TXCZRRACSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@H]1C ZINC000514816671 490790551 /nfs/dbraw/zinc/79/05/51/490790551.db2.gz LHOYKRGTUSEQKS-TXCZRRACSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@H]1C ZINC000514816671 490790554 /nfs/dbraw/zinc/79/05/54/490790554.db2.gz LHOYKRGTUSEQKS-TXCZRRACSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156138 491356231 /nfs/dbraw/zinc/35/62/31/491356231.db2.gz IEELOITYNQCWHS-ZFWWWQNUSA-N 2 1 368.503 0.194 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000539812019 490796888 /nfs/dbraw/zinc/79/68/88/490796888.db2.gz WNTZVFYUXXTZTG-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000514951228 490799707 /nfs/dbraw/zinc/79/97/07/490799707.db2.gz LFCROGXRCBFSSE-JKSUJKDBSA-N 2 1 351.495 0.594 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604914 490811649 /nfs/dbraw/zinc/81/16/49/490811649.db2.gz PGQZTFDVLXBULT-WNHJNPCNSA-N 2 1 361.486 0.298 20 0 FCADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299925 490814701 /nfs/dbraw/zinc/81/47/01/490814701.db2.gz VRDGRTNTKDMTNW-DZGCQCFKSA-N 2 1 368.503 0.572 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299925 490814705 /nfs/dbraw/zinc/81/47/05/490814705.db2.gz VRDGRTNTKDMTNW-DZGCQCFKSA-N 2 1 368.503 0.572 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC000515346946 490820676 /nfs/dbraw/zinc/82/06/76/490820676.db2.gz HCPHOTLHCYCDQX-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498644 490829162 /nfs/dbraw/zinc/82/91/62/490829162.db2.gz AEGQXLCOPCQNHN-XJKSGUPXSA-N 2 1 356.426 0.307 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619371 490833536 /nfs/dbraw/zinc/83/35/36/490833536.db2.gz ZDPIWWJFCADMCK-MJGOQNOKSA-N 2 1 374.533 0.481 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC3)c2)C1 ZINC000506114749 490851211 /nfs/dbraw/zinc/85/12/11/490851211.db2.gz UVLXSDALLIJTJW-SFHVURJKSA-N 2 1 373.501 0.889 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000516168968 490853689 /nfs/dbraw/zinc/85/36/89/490853689.db2.gz RCVFGELVVBHWJB-MRXNPFEDSA-N 2 1 359.474 0.931 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000516168968 490853691 /nfs/dbraw/zinc/85/36/91/490853691.db2.gz RCVFGELVVBHWJB-MRXNPFEDSA-N 2 1 359.474 0.931 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000529374285 490857104 /nfs/dbraw/zinc/85/71/04/490857104.db2.gz DXPQCXRGWVAICY-KSZLIROESA-N 2 1 362.474 0.157 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000516207727 490857191 /nfs/dbraw/zinc/85/71/91/490857191.db2.gz GWKHXRCQKTXZLP-ZDUSSCGKSA-N 2 1 352.460 0.597 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000516496066 490865835 /nfs/dbraw/zinc/86/58/35/490865835.db2.gz XZHWROJNCMYGFU-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000557251846 491362498 /nfs/dbraw/zinc/36/24/98/491362498.db2.gz ZZQUFATZBXYAAC-ULQDDVLXSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000557251846 491362501 /nfs/dbraw/zinc/36/25/01/491362501.db2.gz ZZQUFATZBXYAAC-ULQDDVLXSA-N 2 1 368.522 0.402 20 0 FCADMP Cn1nnc2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cnc21 ZINC000541611991 490867188 /nfs/dbraw/zinc/86/71/88/490867188.db2.gz XBTRLGJCRORUQY-UHFFFAOYSA-N 2 1 352.402 0.762 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784431 490878274 /nfs/dbraw/zinc/87/82/74/490878274.db2.gz QHIIFAGOYMACOL-HZPDHXFCSA-N 2 1 374.489 0.391 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784431 490878277 /nfs/dbraw/zinc/87/82/77/490878277.db2.gz QHIIFAGOYMACOL-HZPDHXFCSA-N 2 1 374.489 0.391 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000542196601 490888782 /nfs/dbraw/zinc/88/87/82/490888782.db2.gz MWXYBBBFKOZVLU-QRQLOZEOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000517221677 490899538 /nfs/dbraw/zinc/89/95/38/490899538.db2.gz XEADBEWCAPVFFU-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000517221677 490899540 /nfs/dbraw/zinc/89/95/40/490899540.db2.gz XEADBEWCAPVFFU-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000530377546 490902232 /nfs/dbraw/zinc/90/22/32/490902232.db2.gz PWOIXZKTNRIQQM-LRDDRELGSA-N 2 1 369.535 0.823 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557264814 491363971 /nfs/dbraw/zinc/36/39/71/491363971.db2.gz YYVUEIFGRBMXFN-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557264814 491363973 /nfs/dbraw/zinc/36/39/73/491363973.db2.gz YYVUEIFGRBMXFN-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000557264814 491363974 /nfs/dbraw/zinc/36/39/74/491363974.db2.gz YYVUEIFGRBMXFN-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000557264814 491363976 /nfs/dbraw/zinc/36/39/76/491363976.db2.gz YYVUEIFGRBMXFN-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP [NH3+]C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCCC1 ZINC000572404716 491367985 /nfs/dbraw/zinc/36/79/85/491367985.db2.gz VCRGMAUBQGUGBH-INIZCTEOSA-N 2 1 366.506 0.478 20 0 FCADMP CNC(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000530613746 490915736 /nfs/dbraw/zinc/91/57/36/490915736.db2.gz MUVNCRRMJMEONF-UHFFFAOYSA-N 2 1 354.414 0.840 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000517918513 490924334 /nfs/dbraw/zinc/92/43/34/490924334.db2.gz VBJDCIXAHGSBFE-RDJZCZTQSA-N 2 1 350.507 0.907 20 0 FCADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966318 490926783 /nfs/dbraw/zinc/92/67/83/490926783.db2.gz VXZGMGHKEJAHLC-ROUUACIJSA-N 2 1 371.485 0.388 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(O)CC[NH+](C)CC3)CC2)CC1 ZINC000518212138 490933172 /nfs/dbraw/zinc/93/31/72/490933172.db2.gz CMMCKFILUNJSHJ-UHFFFAOYSA-N 3 1 366.550 0.756 20 0 FCADMP C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062782 490938855 /nfs/dbraw/zinc/93/88/55/490938855.db2.gz GTKTXEGBFROQIG-GHTZIAJQSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062782 490938856 /nfs/dbraw/zinc/93/88/56/490938856.db2.gz GTKTXEGBFROQIG-GHTZIAJQSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062782 490938858 /nfs/dbraw/zinc/93/88/58/490938858.db2.gz GTKTXEGBFROQIG-GHTZIAJQSA-N 2 1 374.529 0.623 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000531087178 490939736 /nfs/dbraw/zinc/93/97/36/490939736.db2.gz QRISZNAJLHYVFP-UHFFFAOYSA-N 2 1 366.487 0.987 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000531126028 490942158 /nfs/dbraw/zinc/94/21/58/490942158.db2.gz ARENCQXVLDANAK-QGZVFWFLSA-N 2 1 371.551 0.276 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000565253879 491365890 /nfs/dbraw/zinc/36/58/90/491365890.db2.gz KLTIVABAYLTWBD-QLFBSQMISA-N 2 1 351.495 0.450 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244189 490947556 /nfs/dbraw/zinc/94/75/56/490947556.db2.gz BGZWVKNHXIVANX-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000518891087 490954614 /nfs/dbraw/zinc/95/46/14/490954614.db2.gz JROCWDSQNGKEMC-OAHLLOKOSA-N 2 1 360.458 0.973 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000518891087 490954616 /nfs/dbraw/zinc/95/46/16/490954616.db2.gz JROCWDSQNGKEMC-OAHLLOKOSA-N 2 1 360.458 0.973 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000518934797 490955293 /nfs/dbraw/zinc/95/52/93/490955293.db2.gz OKNLKLOLHADYJD-CJNGLKHVSA-N 2 1 358.442 0.660 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000531484066 490960273 /nfs/dbraw/zinc/96/02/73/490960273.db2.gz ZCUHRDGRAOWGIN-ZBFHGGJFSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812239 490975284 /nfs/dbraw/zinc/97/52/84/490975284.db2.gz HNAYWLYXVHRMFA-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2)CC1 ZINC000519595057 490978023 /nfs/dbraw/zinc/97/80/23/490978023.db2.gz GGOFQADZWPUPNJ-GOSISDBHSA-N 2 1 357.458 0.421 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531935306 490981265 /nfs/dbraw/zinc/98/12/65/490981265.db2.gz YUEHXSPKPGCUAC-ZWKOTPCHSA-N 3 1 369.554 0.765 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519643554 490981481 /nfs/dbraw/zinc/98/14/81/490981481.db2.gz SVZGNZYQISZGBI-NVXWUHKLSA-N 2 1 350.507 0.635 20 0 FCADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519690219 490984191 /nfs/dbraw/zinc/98/41/91/490984191.db2.gz AVUADEVVECMXKM-VQHPVUNQSA-N 2 1 354.495 0.778 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000532390356 490992201 /nfs/dbraw/zinc/99/22/01/490992201.db2.gz LJQUPDKDOMBKEM-UHFFFAOYSA-N 2 1 369.554 0.549 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000553904470 491163131 /nfs/dbraw/zinc/16/31/31/491163131.db2.gz ZHRMWPZXRIAWLE-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)ccn1 ZINC000562494598 491169593 /nfs/dbraw/zinc/16/95/93/491169593.db2.gz XVPLPJULPWSNSI-UHFFFAOYSA-N 2 1 373.501 0.700 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC000569576994 491170415 /nfs/dbraw/zinc/17/04/15/491170415.db2.gz UEEWKJWQQKRYHI-FVQBIDKESA-N 2 1 361.442 0.970 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC000569576994 491170418 /nfs/dbraw/zinc/17/04/18/491170418.db2.gz UEEWKJWQQKRYHI-FVQBIDKESA-N 2 1 361.442 0.970 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554042690 491172830 /nfs/dbraw/zinc/17/28/30/491172830.db2.gz BYWRBUIBDSJSTC-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554042690 491172832 /nfs/dbraw/zinc/17/28/32/491172832.db2.gz BYWRBUIBDSJSTC-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554042690 491172835 /nfs/dbraw/zinc/17/28/35/491172835.db2.gz BYWRBUIBDSJSTC-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+](C)C ZINC000569756022 491189096 /nfs/dbraw/zinc/18/90/96/491189096.db2.gz UTGNOHDUFWGBCD-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000565374328 491372912 /nfs/dbraw/zinc/37/29/12/491372912.db2.gz WEKORKWLBURDLA-UHFFFAOYSA-N 2 1 365.522 0.928 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270748 493337792 /nfs/dbraw/zinc/33/77/92/493337792.db2.gz PMAMTGCFDQDNGE-DOTOQJQBSA-N 2 1 359.474 0.529 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000557501381 491379240 /nfs/dbraw/zinc/37/92/40/491379240.db2.gz RWNQOKIWQNDKJK-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619456 491382073 /nfs/dbraw/zinc/38/20/73/491382073.db2.gz PSCHLZLJNBNGLB-IRXDYDNUSA-N 2 1 365.522 0.572 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000572832576 491396344 /nfs/dbraw/zinc/39/63/44/491396344.db2.gz KSPXZGSHQJDNQN-HOTGVXAUSA-N 2 1 357.458 0.107 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000557768075 491396902 /nfs/dbraw/zinc/39/69/02/491396902.db2.gz DXLBNMUIPSAAJK-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000565761222 491397704 /nfs/dbraw/zinc/39/77/04/491397704.db2.gz GJCIIIVDJMEDOE-UHFFFAOYSA-N 2 1 356.511 0.213 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884342 491399682 /nfs/dbraw/zinc/39/96/82/491399682.db2.gz ARNKFHFNJHJBAR-UPJWGTAASA-N 2 1 364.412 0.715 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572905892 491401168 /nfs/dbraw/zinc/40/11/68/491401168.db2.gz IRMVECHASKMSKB-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000565904057 491406717 /nfs/dbraw/zinc/40/67/17/491406717.db2.gz BEUKKQZCJGJVAU-WBVHZDCISA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1CC[NH2+]CC1 ZINC000565941175 491407969 /nfs/dbraw/zinc/40/79/69/491407969.db2.gz QEHMYVMQVHGXNU-MRXNPFEDSA-N 2 1 360.506 0.891 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000566146900 491420437 /nfs/dbraw/zinc/42/04/37/491420437.db2.gz HMGLCZAGYGEJJX-HZPDHXFCSA-N 2 1 362.474 0.672 20 0 FCADMP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000566183322 491423546 /nfs/dbraw/zinc/42/35/46/491423546.db2.gz WNMGEWBVDZYXDI-IBGZPJMESA-N 2 1 358.442 0.693 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573346513 491428270 /nfs/dbraw/zinc/42/82/70/491428270.db2.gz DZEBSDPKAFMWHJ-GVDBMIGSSA-N 2 1 363.506 0.323 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412998 491429438 /nfs/dbraw/zinc/42/94/38/491429438.db2.gz XCVPNTFKUGYEHE-HZPDHXFCSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000558412998 491429439 /nfs/dbraw/zinc/42/94/39/491429439.db2.gz XCVPNTFKUGYEHE-HZPDHXFCSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000558412998 491429441 /nfs/dbraw/zinc/42/94/41/491429441.db2.gz XCVPNTFKUGYEHE-HZPDHXFCSA-N 2 1 350.507 0.847 20 0 FCADMP O=S(=O)(c1ccccc1)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000566246295 491430188 /nfs/dbraw/zinc/43/01/88/491430188.db2.gz SZAFPSAEJAHIIL-UHFFFAOYSA-N 2 1 352.504 0.288 20 0 FCADMP O=S(=O)(c1ccccc1)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000566246295 491430189 /nfs/dbraw/zinc/43/01/89/491430189.db2.gz SZAFPSAEJAHIIL-UHFFFAOYSA-N 2 1 352.504 0.288 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529759 493342501 /nfs/dbraw/zinc/34/25/01/493342501.db2.gz BUHMDSONRRLFOY-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529759 493342503 /nfs/dbraw/zinc/34/25/03/493342503.db2.gz BUHMDSONRRLFOY-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660331265 493343300 /nfs/dbraw/zinc/34/33/00/493343300.db2.gz ZRBWQHYBUYBXMR-INIZCTEOSA-N 2 1 365.522 0.903 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660331265 493343303 /nfs/dbraw/zinc/34/33/03/493343303.db2.gz ZRBWQHYBUYBXMR-INIZCTEOSA-N 2 1 365.522 0.903 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000566551413 491453020 /nfs/dbraw/zinc/45/30/20/491453020.db2.gz ZMWANUJHQJRIDD-SJORKVTESA-N 2 1 360.506 0.891 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCNC3=O)CC2)CC1 ZINC000573813175 491456593 /nfs/dbraw/zinc/45/65/93/491456593.db2.gz MIEVVGISLAUTNR-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000573823646 491457469 /nfs/dbraw/zinc/45/74/69/491457469.db2.gz LPPUOEMDPZZFQS-KFWWJZLASA-N 2 1 354.495 0.188 20 0 FCADMP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000573820689 491457499 /nfs/dbraw/zinc/45/74/99/491457499.db2.gz FUHTZTOVEWVSLB-WBVHZDCISA-N 2 1 358.421 0.956 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000660335859 493344420 /nfs/dbraw/zinc/34/44/20/493344420.db2.gz JCKWUXFMBRPLHE-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000660335859 493344423 /nfs/dbraw/zinc/34/44/23/493344423.db2.gz JCKWUXFMBRPLHE-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)nn1 ZINC000566795524 491467556 /nfs/dbraw/zinc/46/75/56/491467556.db2.gz QMYHGYLTQNGXRA-UHFFFAOYSA-N 2 1 364.494 0.639 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000559415454 491471057 /nfs/dbraw/zinc/47/10/57/491471057.db2.gz VXKRNHVSCSCWFH-GUDVDZBRSA-N 2 1 372.513 0.828 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439899 491472704 /nfs/dbraw/zinc/47/27/04/491472704.db2.gz HMWJEIHCPRBZML-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000559439899 491472707 /nfs/dbraw/zinc/47/27/07/491472707.db2.gz HMWJEIHCPRBZML-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000559439899 491472710 /nfs/dbraw/zinc/47/27/10/491472710.db2.gz HMWJEIHCPRBZML-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000574111992 491475573 /nfs/dbraw/zinc/47/55/73/491475573.db2.gz WEXNGDBTRFKKES-MRXNPFEDSA-N 2 1 373.501 0.967 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)CC1 ZINC000559461143 491475549 /nfs/dbraw/zinc/47/55/49/491475549.db2.gz SNOITHMMUQQKRT-NVXWUHKLSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)CC1 ZINC000559461143 491475552 /nfs/dbraw/zinc/47/55/52/491475552.db2.gz SNOITHMMUQQKRT-NVXWUHKLSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000567067003 491483817 /nfs/dbraw/zinc/48/38/17/491483817.db2.gz LMPZJNHAJAZXGW-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000559702543 491492782 /nfs/dbraw/zinc/49/27/82/491492782.db2.gz KNFCLXVZBQCPRQ-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390208 493346215 /nfs/dbraw/zinc/34/62/15/493346215.db2.gz NRWPPIXIEHOIDV-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000668390208 493346218 /nfs/dbraw/zinc/34/62/18/493346218.db2.gz NRWPPIXIEHOIDV-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000668390208 493346220 /nfs/dbraw/zinc/34/62/20/493346220.db2.gz NRWPPIXIEHOIDV-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000559747226 491495520 /nfs/dbraw/zinc/49/55/20/491495520.db2.gz VHDRNFHUNOBVQW-DZGCQCFKSA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000559747226 491495523 /nfs/dbraw/zinc/49/55/23/491495523.db2.gz VHDRNFHUNOBVQW-DZGCQCFKSA-N 2 1 350.488 0.820 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559781204 491499388 /nfs/dbraw/zinc/49/93/88/491499388.db2.gz WRUUBZNDHPLOEU-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574511046 491501778 /nfs/dbraw/zinc/50/17/78/491501778.db2.gz RSTBQFYOYQKMLN-RDJZCZTQSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567387043 491503637 /nfs/dbraw/zinc/50/36/37/491503637.db2.gz ZBVBQPYFKZUDEK-GJZGRUSLSA-N 2 1 353.488 0.857 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567387043 491503638 /nfs/dbraw/zinc/50/36/38/491503638.db2.gz ZBVBQPYFKZUDEK-GJZGRUSLSA-N 2 1 353.488 0.857 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000559862359 491505687 /nfs/dbraw/zinc/50/56/87/491505687.db2.gz LBEFEVPMQJYJRN-CRAIPNDOSA-N 2 1 370.563 0.730 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000559866874 491506127 /nfs/dbraw/zinc/50/61/27/491506127.db2.gz GDSVPDMMPKYRNT-KSSFIOAISA-N 2 1 370.563 0.777 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000574701652 491514490 /nfs/dbraw/zinc/51/44/90/491514490.db2.gz HGTNXEROUQWWAK-INIZCTEOSA-N 2 1 370.563 0.873 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015480 491515072 /nfs/dbraw/zinc/51/50/72/491515072.db2.gz NMYGKZBVPGQOOX-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCC(C)CC1 ZINC000560027501 491516731 /nfs/dbraw/zinc/51/67/31/491516731.db2.gz HLSVQNJPDSFNIF-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778021 491519215 /nfs/dbraw/zinc/51/92/15/491519215.db2.gz JVKVFQRMKCEJIU-DOTOQJQBSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778021 491519217 /nfs/dbraw/zinc/51/92/17/491519217.db2.gz JVKVFQRMKCEJIU-DOTOQJQBSA-N 2 1 362.474 0.070 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000574806685 491521107 /nfs/dbraw/zinc/52/11/07/491521107.db2.gz KZZYOSKDNYBXPE-SFHVURJKSA-N 2 1 373.501 0.631 20 0 FCADMP COCCOC[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000567677512 491522778 /nfs/dbraw/zinc/52/27/78/491522778.db2.gz ZVGTYFNVSVBRDE-GOSISDBHSA-N 2 1 365.474 0.188 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000567734697 491525985 /nfs/dbraw/zinc/52/59/85/491525985.db2.gz UQSRQNUBJJXYGX-HNNXBMFYSA-N 2 1 361.442 0.080 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583405 493348469 /nfs/dbraw/zinc/34/84/69/493348469.db2.gz LDVDVPTZSDSFGR-SJORKVTESA-N 2 1 368.522 0.329 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000683378254 493348468 /nfs/dbraw/zinc/34/84/68/493348468.db2.gz JXOIURGPULZEND-ZWKOTPCHSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000683378254 493348472 /nfs/dbraw/zinc/34/84/72/493348472.db2.gz JXOIURGPULZEND-ZWKOTPCHSA-N 2 1 368.522 0.994 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000567763494 491527664 /nfs/dbraw/zinc/52/76/64/491527664.db2.gz BOXAXRXIXULQFT-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583034 493348492 /nfs/dbraw/zinc/34/84/92/493348492.db2.gz KMOIVCGKNIUJDM-IRXDYDNUSA-N 2 1 366.506 0.035 20 0 FCADMP COC[C@]1(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000567836327 491533366 /nfs/dbraw/zinc/53/33/66/491533366.db2.gz SBAUHVVWLSFQDH-AZUAARDMSA-N 2 1 360.502 0.860 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000575119133 491540149 /nfs/dbraw/zinc/54/01/49/491540149.db2.gz DZFORHCOKAODRD-TXPKVOOTSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000575243832 491547715 /nfs/dbraw/zinc/54/77/15/491547715.db2.gz DTORJFQTGCOOQE-BHYGNILZSA-N 2 1 372.469 0.956 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199846 491558820 /nfs/dbraw/zinc/55/88/20/491558820.db2.gz JUWYQTBSCMJCBC-QUCCMNQESA-N 2 1 361.486 0.708 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199846 491558822 /nfs/dbraw/zinc/55/88/22/491558822.db2.gz JUWYQTBSCMJCBC-QUCCMNQESA-N 2 1 361.486 0.708 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560885621 491561993 /nfs/dbraw/zinc/56/19/93/491561993.db2.gz WQRRRMIZLSZHJU-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560885623 491562115 /nfs/dbraw/zinc/56/21/15/491562115.db2.gz WQRRRMIZLSZHJU-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568294367 491568028 /nfs/dbraw/zinc/56/80/28/491568028.db2.gz PYUCXWJLKZBVEJ-ZWKOTPCHSA-N 2 1 358.486 0.615 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568294365 491568052 /nfs/dbraw/zinc/56/80/52/491568052.db2.gz PYUCXWJLKZBVEJ-QZTJIDSGSA-N 2 1 358.486 0.615 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000561013805 491570185 /nfs/dbraw/zinc/57/01/85/491570185.db2.gz BGNDOKAKAOLATO-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCN(C)C3=O)CC2)CC1 ZINC000575933175 491571120 /nfs/dbraw/zinc/57/11/20/491571120.db2.gz FSSOPYAIAHQQFQ-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000561052560 491572749 /nfs/dbraw/zinc/57/27/49/491572749.db2.gz UAXPECANRZMXIS-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000576037048 491577454 /nfs/dbraw/zinc/57/74/54/491577454.db2.gz IXMKZPQLZQKCIA-INIZCTEOSA-N 2 1 363.510 0.034 20 0 FCADMP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561188104 491581274 /nfs/dbraw/zinc/58/12/74/491581274.db2.gz ZKANEOKPGGEVPW-WMZOPIPTSA-N 2 1 373.501 0.628 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000584398970 491586236 /nfs/dbraw/zinc/58/62/36/491586236.db2.gz GEUOJVGXSFQQGY-GOSISDBHSA-N 2 1 374.485 0.080 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000568552331 491586473 /nfs/dbraw/zinc/58/64/73/491586473.db2.gz WAGXQDGAEVICMB-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000568552331 491586476 /nfs/dbraw/zinc/58/64/76/491586476.db2.gz WAGXQDGAEVICMB-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584460158 491593536 /nfs/dbraw/zinc/59/35/36/491593536.db2.gz HYYXZBSXSMFRDE-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584460158 491593539 /nfs/dbraw/zinc/59/35/39/491593539.db2.gz HYYXZBSXSMFRDE-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000584464505 491594163 /nfs/dbraw/zinc/59/41/63/491594163.db2.gz RRYHDZDTIHKLRK-GDAAHCPNSA-N 2 1 370.497 0.915 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000576233923 491595597 /nfs/dbraw/zinc/59/55/97/491595597.db2.gz OBVVVKIIPYKGFA-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000568644447 491596257 /nfs/dbraw/zinc/59/62/57/491596257.db2.gz JFUAUAWDHMPASO-SFHVURJKSA-N 2 1 351.491 0.752 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000568644447 491596260 /nfs/dbraw/zinc/59/62/60/491596260.db2.gz JFUAUAWDHMPASO-SFHVURJKSA-N 2 1 351.491 0.752 20 0 FCADMP COC[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000577175345 491597707 /nfs/dbraw/zinc/59/77/07/491597707.db2.gz SCEKOOOYDIBNNN-FQEVSTJZSA-N 2 1 374.485 0.073 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000561405896 491605811 /nfs/dbraw/zinc/60/58/11/491605811.db2.gz MSMUAHOBOGGBGS-AWEZNQCLSA-N 2 1 358.446 1.442 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000561424948 491606699 /nfs/dbraw/zinc/60/66/99/491606699.db2.gz GDTDOHOZBXGYKU-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561424948 491606703 /nfs/dbraw/zinc/60/67/03/491606703.db2.gz GDTDOHOZBXGYKU-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561424948 491606705 /nfs/dbraw/zinc/60/67/05/491606705.db2.gz GDTDOHOZBXGYKU-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000577280945 491609663 /nfs/dbraw/zinc/60/96/63/491609663.db2.gz DGCRUVISQLLJKT-IRXDYDNUSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000576538046 491623192 /nfs/dbraw/zinc/62/31/92/491623192.db2.gz ZITBXRBMZJLTSP-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577474067 491624548 /nfs/dbraw/zinc/62/45/48/491624548.db2.gz PLPBUQOIXPBKDN-RDJZCZTQSA-N 2 1 369.469 0.461 20 0 FCADMP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[NH+]1CCSCC1 ZINC000561717827 491626842 /nfs/dbraw/zinc/62/68/42/491626842.db2.gz CGOXBIKYBNLXDF-UHFFFAOYSA-N 2 1 367.519 0.870 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000576663927 491633989 /nfs/dbraw/zinc/63/39/89/491633989.db2.gz NYJJQICALXPLQD-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000576663927 491633990 /nfs/dbraw/zinc/63/39/90/491633990.db2.gz NYJJQICALXPLQD-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000576663927 491633993 /nfs/dbraw/zinc/63/39/93/491633993.db2.gz NYJJQICALXPLQD-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000576663924 491634295 /nfs/dbraw/zinc/63/42/95/491634295.db2.gz NYJJQICALXPLQD-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000576663924 491634298 /nfs/dbraw/zinc/63/42/98/491634298.db2.gz NYJJQICALXPLQD-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000576663924 491634300 /nfs/dbraw/zinc/63/43/00/491634300.db2.gz NYJJQICALXPLQD-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000577608644 491635647 /nfs/dbraw/zinc/63/56/47/491635647.db2.gz QHVZNVNEMATGMY-ZIAGYGMSSA-N 2 1 367.519 0.006 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687305 491635814 /nfs/dbraw/zinc/63/58/14/491635814.db2.gz NPHFXSAZPSYAQL-DLBZAZTESA-N 2 1 365.522 0.714 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000576754411 491641973 /nfs/dbraw/zinc/64/19/73/491641973.db2.gz PELMSINCBCTUJF-FUHWJXTLSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000569251162 491646352 /nfs/dbraw/zinc/64/63/52/491646352.db2.gz JPCGDCXKOSKXMA-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569251162 491646353 /nfs/dbraw/zinc/64/63/53/491646353.db2.gz JPCGDCXKOSKXMA-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000569251162 491646356 /nfs/dbraw/zinc/64/63/56/491646356.db2.gz JPCGDCXKOSKXMA-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000577741586 491647771 /nfs/dbraw/zinc/64/77/71/491647771.db2.gz QSAPRJHQXFGVGZ-GBESFXJTSA-N 2 1 357.502 0.806 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000576843004 491649884 /nfs/dbraw/zinc/64/98/84/491649884.db2.gz LLKHHMHRSHHBEQ-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440175 491661252 /nfs/dbraw/zinc/66/12/52/491661252.db2.gz QOWVYRUJQGHTIJ-INMHGKMJSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251753 491673328 /nfs/dbraw/zinc/67/33/28/491673328.db2.gz ODUYYNJZTRMZRL-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251753 491673329 /nfs/dbraw/zinc/67/33/29/491673329.db2.gz ODUYYNJZTRMZRL-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251753 491673330 /nfs/dbraw/zinc/67/33/30/491673330.db2.gz ODUYYNJZTRMZRL-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000578337222 491675068 /nfs/dbraw/zinc/67/50/68/491675068.db2.gz YSYOYIYYYLMEPT-FPCVCCKLSA-N 2 1 366.506 0.343 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510059 491678759 /nfs/dbraw/zinc/67/87/59/491678759.db2.gz YEELJCDLLXGSAT-VYDXJSESSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000578510059 491678760 /nfs/dbraw/zinc/67/87/60/491678760.db2.gz YEELJCDLLXGSAT-VYDXJSESSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000578510059 491678761 /nfs/dbraw/zinc/67/87/61/491678761.db2.gz YEELJCDLLXGSAT-VYDXJSESSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610392 491680692 /nfs/dbraw/zinc/68/06/92/491680692.db2.gz PFKCHLUHHYNIKD-JJTUDDRGSA-N 2 1 350.507 0.822 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000578731751 491683042 /nfs/dbraw/zinc/68/30/42/491683042.db2.gz YTKVGAMZQXJPJW-CALCHBBNSA-N 2 1 367.538 0.119 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000578996741 491688672 /nfs/dbraw/zinc/68/86/72/491688672.db2.gz RWRNLBJAJUMISS-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578996741 491688673 /nfs/dbraw/zinc/68/86/73/491688673.db2.gz RWRNLBJAJUMISS-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578996741 491688674 /nfs/dbraw/zinc/68/86/74/491688674.db2.gz RWRNLBJAJUMISS-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579099286 491690831 /nfs/dbraw/zinc/69/08/31/491690831.db2.gz PNYMABHOHFTBLR-WMZOPIPTSA-N 2 1 373.501 0.855 20 0 FCADMP C[N@H+]1CCCN(CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356737 /nfs/dbraw/zinc/35/67/37/493356737.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCCN(CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356740 /nfs/dbraw/zinc/35/67/40/493356740.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCCN(CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356741 /nfs/dbraw/zinc/35/67/41/493356741.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[N@H+](CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356743 /nfs/dbraw/zinc/35/67/43/493356743.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[N@@H+](CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356745 /nfs/dbraw/zinc/35/67/45/493356745.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[NH+](CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356747 /nfs/dbraw/zinc/35/67/47/493356747.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP CN1CCC[NH+](CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000673671269 493356749 /nfs/dbraw/zinc/35/67/49/493356749.db2.gz WNYSXNAMVWXRMG-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579700054 491703115 /nfs/dbraw/zinc/70/31/15/491703115.db2.gz LOPWFJALXSTXKN-BVIKNXMNSA-N 2 1 360.502 0.530 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000579735729 491704244 /nfs/dbraw/zinc/70/42/44/491704244.db2.gz MYGBOGWXGKGPCL-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000579735728 491704302 /nfs/dbraw/zinc/70/43/02/491704302.db2.gz MYGBOGWXGKGPCL-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[NH+](CC)CC1)CCC(F)(F)F ZINC000584805550 491715162 /nfs/dbraw/zinc/71/51/62/491715162.db2.gz VBCWWXADUXYCML-UHFFFAOYSA-N 2 1 366.428 0.931 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[NH+](CC)CC1)CCC(F)(F)F ZINC000584805550 491715163 /nfs/dbraw/zinc/71/51/63/491715163.db2.gz VBCWWXADUXYCML-UHFFFAOYSA-N 2 1 366.428 0.931 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CCC[N@H+](CC)CC1)CCC(F)(F)F ZINC000584805550 491715164 /nfs/dbraw/zinc/71/51/64/491715164.db2.gz VBCWWXADUXYCML-UHFFFAOYSA-N 2 1 366.428 0.931 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CCC[N@@H+](CC)CC1)CCC(F)(F)F ZINC000584805550 491715165 /nfs/dbraw/zinc/71/51/65/491715165.db2.gz VBCWWXADUXYCML-UHFFFAOYSA-N 2 1 366.428 0.931 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000584839431 491716667 /nfs/dbraw/zinc/71/66/67/491716667.db2.gz NGTKTQDUNSEZPN-GOSISDBHSA-N 2 1 358.486 0.871 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580414415 491730338 /nfs/dbraw/zinc/73/03/38/491730338.db2.gz SSQMIMDIULFRAF-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000580542393 491735391 /nfs/dbraw/zinc/73/53/91/491735391.db2.gz CFLDPUUTVDBWKG-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000580542393 491735392 /nfs/dbraw/zinc/73/53/92/491735392.db2.gz CFLDPUUTVDBWKG-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000580794481 491746344 /nfs/dbraw/zinc/74/63/44/491746344.db2.gz IBNGFQSAKZAKCH-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000580794481 491746347 /nfs/dbraw/zinc/74/63/47/491746347.db2.gz IBNGFQSAKZAKCH-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000580794481 491746349 /nfs/dbraw/zinc/74/63/49/491746349.db2.gz IBNGFQSAKZAKCH-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(CN1CC[NH+](CCN2CC[NH2+]CC2)CC1)Nc1ccccc1Cl ZINC000580834606 491748114 /nfs/dbraw/zinc/74/81/14/491748114.db2.gz LAXRFXASRLEYCD-UHFFFAOYSA-N 2 1 365.909 0.801 20 0 FCADMP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000580882530 491750133 /nfs/dbraw/zinc/75/01/33/491750133.db2.gz QSAQSHOIUWKMKM-HNNXBMFYSA-N 2 1 359.474 0.164 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000581122435 491760230 /nfs/dbraw/zinc/76/02/30/491760230.db2.gz NDWFFTSLLSDGQJ-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000581122435 491760232 /nfs/dbraw/zinc/76/02/32/491760232.db2.gz NDWFFTSLLSDGQJ-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000581146424 491761321 /nfs/dbraw/zinc/76/13/21/491761321.db2.gz SOXMWAHHSFHDNY-INIZCTEOSA-N 2 1 368.522 0.140 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000581245466 491765591 /nfs/dbraw/zinc/76/55/91/491765591.db2.gz ZIUCJJGXIGYKHP-CVEARBPZSA-N 2 1 372.469 0.828 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000581259390 491766131 /nfs/dbraw/zinc/76/61/31/491766131.db2.gz ICMGKLLUWDDOLW-GOSISDBHSA-N 2 1 366.550 0.972 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000581300362 491767787 /nfs/dbraw/zinc/76/77/87/491767787.db2.gz NCNILMZYDOIYNB-GOSISDBHSA-N 2 1 361.490 0.438 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)CCCO1 ZINC000581331425 491769156 /nfs/dbraw/zinc/76/91/56/491769156.db2.gz QYOMUJBIKIWSBN-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CCCO1 ZINC000581331425 491769157 /nfs/dbraw/zinc/76/91/57/491769157.db2.gz QYOMUJBIKIWSBN-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CCCO1 ZINC000581331425 491769159 /nfs/dbraw/zinc/76/91/59/491769159.db2.gz QYOMUJBIKIWSBN-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CSc1ccc(OC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000581365521 491769933 /nfs/dbraw/zinc/76/99/33/491769933.db2.gz VBLVLWVWQHJNDK-OAHLLOKOSA-N 2 1 367.515 0.902 20 0 FCADMP CCc1nsc(N2CCCN(C[C@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000581951724 491791733 /nfs/dbraw/zinc/79/17/33/491791733.db2.gz LHHRMTKVCKMGFF-CQSZACIVSA-N 2 1 357.524 0.552 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000591411738 491805167 /nfs/dbraw/zinc/80/51/67/491805167.db2.gz INJWTPCSXLAGTE-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000591411738 491805168 /nfs/dbraw/zinc/80/51/68/491805168.db2.gz INJWTPCSXLAGTE-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000591411738 491805169 /nfs/dbraw/zinc/80/51/69/491805169.db2.gz INJWTPCSXLAGTE-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000582475537 491813646 /nfs/dbraw/zinc/81/36/46/491813646.db2.gz SRTZRUSFWPHFEX-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583312702 491842201 /nfs/dbraw/zinc/84/22/01/491842201.db2.gz JAEMYCKLIFQAGD-BVIKNXMNSA-N 2 1 362.518 0.966 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000583381979 491843801 /nfs/dbraw/zinc/84/38/01/491843801.db2.gz ZNVTVVPHFGPQDS-HNNXBMFYSA-N 2 1 361.442 0.719 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000583381979 491843802 /nfs/dbraw/zinc/84/38/02/491843802.db2.gz ZNVTVVPHFGPQDS-HNNXBMFYSA-N 2 1 361.442 0.719 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000583529218 491846820 /nfs/dbraw/zinc/84/68/20/491846820.db2.gz CJADFXPLDFSRNL-HOTGVXAUSA-N 2 1 361.490 0.798 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+](C)C1 ZINC000583552071 491847302 /nfs/dbraw/zinc/84/73/02/491847302.db2.gz CDHBBKXEAUNQMO-ROUUACIJSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552071 491847303 /nfs/dbraw/zinc/84/73/03/491847303.db2.gz CDHBBKXEAUNQMO-ROUUACIJSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552071 491847304 /nfs/dbraw/zinc/84/73/04/491847304.db2.gz CDHBBKXEAUNQMO-ROUUACIJSA-N 2 1 374.485 0.857 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]21 ZINC000583565344 491847681 /nfs/dbraw/zinc/84/76/81/491847681.db2.gz AGJWTMBUWWCSBP-OWCLPIDISA-N 2 1 360.458 0.623 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]21 ZINC000583565342 491847708 /nfs/dbraw/zinc/84/77/08/491847708.db2.gz AGJWTMBUWWCSBP-BZUAXINKSA-N 2 1 360.458 0.623 20 0 FCADMP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000583637174 491849304 /nfs/dbraw/zinc/84/93/04/491849304.db2.gz DPFLIGAFEABPRM-MGLUKCQKSA-N 2 1 351.495 0.462 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@]3(C1)CCC[N@@H+](C)C3)CC[NH2+]CC2 ZINC000583807772 491852304 /nfs/dbraw/zinc/85/23/04/491852304.db2.gz ZPJRUZYIWJNHEG-OXQOHEQNSA-N 2 1 362.518 0.921 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850462 491853209 /nfs/dbraw/zinc/85/32/09/491853209.db2.gz MWTXLVWGYVKXFR-ZFWWWQNUSA-N 2 1 359.492 0.266 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000584099142 491858380 /nfs/dbraw/zinc/85/83/80/491858380.db2.gz CNTNMBDVICTBHN-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584147158 491859537 /nfs/dbraw/zinc/85/95/37/491859537.db2.gz PCPWIXOQTOFGRL-OXJNMPFZSA-N 2 1 371.485 0.721 20 0 FCADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]12 ZINC000584226074 491860978 /nfs/dbraw/zinc/86/09/78/491860978.db2.gz HMMAHTCVSHWYOO-IPMKNSEASA-N 2 1 370.497 0.917 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257566 491861896 /nfs/dbraw/zinc/86/18/96/491861896.db2.gz YMUREDJEWZQARK-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257566 491861897 /nfs/dbraw/zinc/86/18/97/491861897.db2.gz YMUREDJEWZQARK-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257566 491861898 /nfs/dbraw/zinc/86/18/98/491861898.db2.gz YMUREDJEWZQARK-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000600735926 491879611 /nfs/dbraw/zinc/87/96/11/491879611.db2.gz WIVBROBRELYDLY-UHFFFAOYSA-N 2 1 352.391 0.013 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000600735926 491879613 /nfs/dbraw/zinc/87/96/13/491879613.db2.gz WIVBROBRELYDLY-UHFFFAOYSA-N 2 1 352.391 0.013 20 0 FCADMP C[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000601006665 491892680 /nfs/dbraw/zinc/89/26/80/491892680.db2.gz PKOPSIURVUPSEF-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000601006665 491892682 /nfs/dbraw/zinc/89/26/82/491892682.db2.gz PKOPSIURVUPSEF-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006665 491892683 /nfs/dbraw/zinc/89/26/83/491892683.db2.gz PKOPSIURVUPSEF-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006665 491892685 /nfs/dbraw/zinc/89/26/85/491892685.db2.gz PKOPSIURVUPSEF-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000601327836 491904638 /nfs/dbraw/zinc/90/46/38/491904638.db2.gz ATFGHSPKKXGERJ-INIZCTEOSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000595273704 491910276 /nfs/dbraw/zinc/91/02/76/491910276.db2.gz LPLBNAXXFRFOPI-IAGOWNOFSA-N 2 1 365.522 0.985 20 0 FCADMP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472261 491925356 /nfs/dbraw/zinc/92/53/56/491925356.db2.gz GDGMNBITSRTPDG-JKSUJKDBSA-N 2 1 372.535 0.037 20 0 FCADMP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601472261 491925357 /nfs/dbraw/zinc/92/53/57/491925357.db2.gz GDGMNBITSRTPDG-JKSUJKDBSA-N 2 1 372.535 0.037 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000612540941 491930665 /nfs/dbraw/zinc/93/06/65/491930665.db2.gz AMJKDQTVDOWSFM-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000612540941 491930667 /nfs/dbraw/zinc/93/06/67/491930667.db2.gz AMJKDQTVDOWSFM-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551761 491933769 /nfs/dbraw/zinc/93/37/69/491933769.db2.gz JPAMBEPCBSCEQO-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551761 491933771 /nfs/dbraw/zinc/93/37/71/491933771.db2.gz JPAMBEPCBSCEQO-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551761 491933772 /nfs/dbraw/zinc/93/37/72/491933772.db2.gz JPAMBEPCBSCEQO-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000612777506 491950132 /nfs/dbraw/zinc/95/01/32/491950132.db2.gz KNFSUTVRRYHDEO-ROUUACIJSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000612865440 491955931 /nfs/dbraw/zinc/95/59/31/491955931.db2.gz QYPZVPKYOVGFGB-LJQANCHMSA-N 2 1 359.474 0.625 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000612865439 491955977 /nfs/dbraw/zinc/95/59/77/491955977.db2.gz QYPZVPKYOVGFGB-IBGZPJMESA-N 2 1 359.474 0.625 20 0 FCADMP C[C@]1(NC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878748 491956552 /nfs/dbraw/zinc/95/65/52/491956552.db2.gz MNVJQSVKHYWGPA-PXNSSMCTSA-N 2 1 373.501 0.935 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612918021 491958614 /nfs/dbraw/zinc/95/86/14/491958614.db2.gz ZVXMEDWPVSJVRW-LBPRGKRZSA-N 2 1 371.436 0.302 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957836 491965292 /nfs/dbraw/zinc/96/52/92/491965292.db2.gz XXUHHSRMEKUYMH-SMDDNHRTSA-N 2 1 351.369 0.624 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000595970066 491966927 /nfs/dbraw/zinc/96/69/27/491966927.db2.gz JPURNYFPXVNKPT-LAVFITLUSA-N 2 1 372.469 0.046 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000595970066 491966929 /nfs/dbraw/zinc/96/69/29/491966929.db2.gz JPURNYFPXVNKPT-LAVFITLUSA-N 2 1 372.469 0.046 20 0 FCADMP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595977508 491967637 /nfs/dbraw/zinc/96/76/37/491967637.db2.gz LMMCVCQHBAVWAJ-RDJZCZTQSA-N 2 1 374.533 0.960 20 0 FCADMP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595977508 491967639 /nfs/dbraw/zinc/96/76/39/491967639.db2.gz LMMCVCQHBAVWAJ-RDJZCZTQSA-N 2 1 374.533 0.960 20 0 FCADMP C[NH+]1CC=C(CNC(=O)c2cc(C(=O)NCC3=CC[N@@H+](C)CC3)[nH]n2)CC1 ZINC000613264612 491975549 /nfs/dbraw/zinc/97/55/49/491975549.db2.gz FHBDDVQFBHKENN-UHFFFAOYSA-N 2 1 372.473 0.393 20 0 FCADMP C[NH+]1CC=C(CNC(=O)c2cc(C(=O)NCC3=CC[N@H+](C)CC3)n[nH]2)CC1 ZINC000613264612 491975551 /nfs/dbraw/zinc/97/55/51/491975551.db2.gz FHBDDVQFBHKENN-UHFFFAOYSA-N 2 1 372.473 0.393 20 0 FCADMP C[NH+]1CC=C(CNC(=O)c2cc(C(=O)NCC3=CC[N@@H+](C)CC3)n[nH]2)CC1 ZINC000613264612 491975553 /nfs/dbraw/zinc/97/55/53/491975553.db2.gz FHBDDVQFBHKENN-UHFFFAOYSA-N 2 1 372.473 0.393 20 0 FCADMP Cc1nnc2n1C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2 ZINC000596313706 491983928 /nfs/dbraw/zinc/98/39/28/491983928.db2.gz VJNWPMTZFWMQFB-HOCLYGCPSA-N 2 1 365.526 0.720 20 0 FCADMP Cc1nnc2n1C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000596313706 491983930 /nfs/dbraw/zinc/98/39/30/491983930.db2.gz VJNWPMTZFWMQFB-HOCLYGCPSA-N 2 1 365.526 0.720 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613996136 492008909 /nfs/dbraw/zinc/00/89/09/492008909.db2.gz PXHKIFDWZQQMJR-RTBURBONSA-N 2 1 372.513 0.881 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613996139 492009005 /nfs/dbraw/zinc/00/90/05/492009005.db2.gz QBHXJZSVKBCTPX-NSISKUIASA-N 2 1 372.513 0.675 20 0 FCADMP Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000614854549 492060300 /nfs/dbraw/zinc/06/03/00/492060300.db2.gz PZIWRZJAOVCMAS-OAHLLOKOSA-N 2 1 372.473 0.216 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604634308 492065433 /nfs/dbraw/zinc/06/54/33/492065433.db2.gz PQLDBGLBCUVZGK-KRWDZBQOSA-N 2 1 353.511 0.178 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646635 492065861 /nfs/dbraw/zinc/06/58/61/492065861.db2.gz CRQPPDOAWMVGOJ-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604646635 492065863 /nfs/dbraw/zinc/06/58/63/492065863.db2.gz CRQPPDOAWMVGOJ-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604646635 492065866 /nfs/dbraw/zinc/06/58/66/492065866.db2.gz CRQPPDOAWMVGOJ-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000604641317 492066206 /nfs/dbraw/zinc/06/62/06/492066206.db2.gz OVNAHFYYLXAHCC-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604641317 492066208 /nfs/dbraw/zinc/06/62/08/492066208.db2.gz OVNAHFYYLXAHCC-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604641317 492066209 /nfs/dbraw/zinc/06/62/09/492066209.db2.gz OVNAHFYYLXAHCC-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000617507173 492172738 /nfs/dbraw/zinc/17/27/38/492172738.db2.gz LNMSQBBYNGYWJS-BHYGNILZSA-N 2 1 351.495 0.886 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000617507173 492172739 /nfs/dbraw/zinc/17/27/39/492172739.db2.gz LNMSQBBYNGYWJS-BHYGNILZSA-N 2 1 351.495 0.886 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCSCCC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000609521501 492211378 /nfs/dbraw/zinc/21/13/78/492211378.db2.gz KZLJAQMPTDEMDD-HZPDHXFCSA-N 2 1 370.563 0.636 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000618308694 492222506 /nfs/dbraw/zinc/22/25/06/492222506.db2.gz RZWRVLKEDWJPTB-UHFFFAOYSA-N 2 1 351.451 0.362 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000610250146 492239157 /nfs/dbraw/zinc/23/91/57/492239157.db2.gz BKFYHWFHIMRKPQ-YSTOQKLRSA-N 2 1 368.566 0.557 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225229 492282086 /nfs/dbraw/zinc/28/20/86/492282086.db2.gz SCVPHLNPFTYLEW-OALUTQOASA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225229 492282087 /nfs/dbraw/zinc/28/20/87/492282087.db2.gz SCVPHLNPFTYLEW-OALUTQOASA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4c(C(N)=O)cnn4c3)C2)CC1 ZINC000611276397 492283300 /nfs/dbraw/zinc/28/33/00/492283300.db2.gz QFVQJZNMHYTXLD-INIZCTEOSA-N 2 1 371.489 0.429 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4c(C(N)=O)cnn4c3)C2)CC1 ZINC000611276397 492283301 /nfs/dbraw/zinc/28/33/01/492283301.db2.gz QFVQJZNMHYTXLD-INIZCTEOSA-N 2 1 371.489 0.429 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641776493 492304101 /nfs/dbraw/zinc/30/41/01/492304101.db2.gz PZSDCTGQMQRXAV-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641776493 492304103 /nfs/dbraw/zinc/30/41/03/492304103.db2.gz PZSDCTGQMQRXAV-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641776493 492304106 /nfs/dbraw/zinc/30/41/06/492304106.db2.gz PZSDCTGQMQRXAV-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785219 492305023 /nfs/dbraw/zinc/30/50/23/492305023.db2.gz YUMIIQGBSVMXNS-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000641785219 492305024 /nfs/dbraw/zinc/30/50/24/492305024.db2.gz YUMIIQGBSVMXNS-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000641785219 492305027 /nfs/dbraw/zinc/30/50/27/492305027.db2.gz YUMIIQGBSVMXNS-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641782394 492305925 /nfs/dbraw/zinc/30/59/25/492305925.db2.gz BJINADSHHXHOPT-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000641782394 492305929 /nfs/dbraw/zinc/30/59/29/492305929.db2.gz BJINADSHHXHOPT-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC1 ZINC000641782394 492305931 /nfs/dbraw/zinc/30/59/31/492305931.db2.gz BJINADSHHXHOPT-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568103 492316571 /nfs/dbraw/zinc/31/65/71/492316571.db2.gz GVWGZMUMKXCVCM-KRWDZBQOSA-N 2 1 368.522 0.234 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1CC[NH+](C)C1 ZINC000647568103 492316575 /nfs/dbraw/zinc/31/65/75/492316575.db2.gz GVWGZMUMKXCVCM-KRWDZBQOSA-N 2 1 368.522 0.234 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1CC[NH+](C)C1 ZINC000647568103 492316578 /nfs/dbraw/zinc/31/65/78/492316578.db2.gz GVWGZMUMKXCVCM-KRWDZBQOSA-N 2 1 368.522 0.234 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647569033 492317137 /nfs/dbraw/zinc/31/71/37/492317137.db2.gz ZCODJGUXOINNAX-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260024 492331516 /nfs/dbraw/zinc/33/15/16/492331516.db2.gz PQUXHAJIBISNOL-IAGOWNOFSA-N 2 1 365.522 0.714 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647617204 492335211 /nfs/dbraw/zinc/33/52/11/492335211.db2.gz KXYCBYJAJPYMGG-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642254039 492345829 /nfs/dbraw/zinc/34/58/29/492345829.db2.gz ZYOBDBGWUPOXPN-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642330425 492351803 /nfs/dbraw/zinc/35/18/03/492351803.db2.gz HVRWYVPNQBLDIO-BEFAXECRSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000642394741 492357110 /nfs/dbraw/zinc/35/71/10/492357110.db2.gz KXAZHBPDVXLSBV-KFWWJZLASA-N 2 1 354.495 0.249 20 0 FCADMP CN1C(=O)N[C@@]2(CCN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357395 /nfs/dbraw/zinc/35/73/95/492357395.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@@]2(CC[N@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357397 /nfs/dbraw/zinc/35/73/97/492357397.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@@]2(CC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357399 /nfs/dbraw/zinc/35/73/99/492357399.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 1 358.442 0.250 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC[NH2+]C3CC3)c2)CCO1 ZINC000642427109 492358117 /nfs/dbraw/zinc/35/81/17/492358117.db2.gz SVHUVTABJLTRLE-HNNXBMFYSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC[NH2+]C3CC3)c2)CCO1 ZINC000642427109 492358118 /nfs/dbraw/zinc/35/81/18/492358118.db2.gz SVHUVTABJLTRLE-HNNXBMFYSA-N 2 1 374.485 0.392 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nnnn3C3CC3)CC2)CC1 ZINC000654844049 492359294 /nfs/dbraw/zinc/35/92/94/492359294.db2.gz DQLSFDHTVBHNHQ-UHFFFAOYSA-N 2 1 361.494 0.821 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000642522160 492360856 /nfs/dbraw/zinc/36/08/56/492360856.db2.gz LMZADFOBPYGACZ-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP COc1ccc(CCNC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834745 492368592 /nfs/dbraw/zinc/36/85/92/492368592.db2.gz MFRROJRYANNJDZ-UHFFFAOYSA-N 2 1 364.490 0.200 20 0 FCADMP COc1ccc(CCNC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834745 492368597 /nfs/dbraw/zinc/36/85/97/492368597.db2.gz MFRROJRYANNJDZ-UHFFFAOYSA-N 2 1 364.490 0.200 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640962 492368985 /nfs/dbraw/zinc/36/89/85/492368985.db2.gz SGZCAMBSGSIKRG-OKZBNKHCSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000642648082 492369725 /nfs/dbraw/zinc/36/97/25/492369725.db2.gz MERNRWWDLXVEAQ-UAGQMJEPSA-N 2 1 366.506 0.474 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000642680525 492372612 /nfs/dbraw/zinc/37/26/12/492372612.db2.gz VCBAYOWVMRCFLD-STQMWFEESA-N 2 1 366.428 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000642680525 492372616 /nfs/dbraw/zinc/37/26/16/492372616.db2.gz VCBAYOWVMRCFLD-STQMWFEESA-N 2 1 366.428 0.963 20 0 FCADMP O=C(Cc1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647875904 492375718 /nfs/dbraw/zinc/37/57/18/492375718.db2.gz MDUMTPSQDGXXPD-UHFFFAOYSA-N 2 1 350.894 0.932 20 0 FCADMP CNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000647908998 492381898 /nfs/dbraw/zinc/38/18/98/492381898.db2.gz DSAFODUELDRTQI-UHFFFAOYSA-N 2 1 355.504 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642750887 492384438 /nfs/dbraw/zinc/38/44/38/492384438.db2.gz PDFITYWDOBVPAJ-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000642750487 492384958 /nfs/dbraw/zinc/38/49/58/492384958.db2.gz FODMATWKRAWVJN-HRCADAONSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744982 492385139 /nfs/dbraw/zinc/38/51/39/492385139.db2.gz VSGJYJNWEPOJOB-MAUKXSAKSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744982 492385142 /nfs/dbraw/zinc/38/51/42/492385142.db2.gz VSGJYJNWEPOJOB-MAUKXSAKSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750874 492385151 /nfs/dbraw/zinc/38/51/51/492385151.db2.gz HDXFYEBYGVEPOY-YVSFHVDLSA-N 2 1 368.522 0.435 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000642759501 492387069 /nfs/dbraw/zinc/38/70/69/492387069.db2.gz DGOLYHNYYWYVIO-FZCLSBEQSA-N 2 1 374.485 0.198 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642756697 492387100 /nfs/dbraw/zinc/38/71/00/492387100.db2.gz XFOZTAJAQUUFDE-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976279 492389920 /nfs/dbraw/zinc/38/99/20/492389920.db2.gz MJKJITQVJHLHTI-QBPKDAKJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976279 492389924 /nfs/dbraw/zinc/38/99/24/492389924.db2.gz MJKJITQVJHLHTI-QBPKDAKJSA-N 2 1 371.547 0.732 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977761 492390814 /nfs/dbraw/zinc/39/08/14/492390814.db2.gz HFUZVWHXIJKPAV-CVEARBPZSA-N 2 1 374.551 0.096 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000642785807 492391698 /nfs/dbraw/zinc/39/16/98/492391698.db2.gz LZLCTXSKOAVNPG-KZNAEPCWSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642798888 492394989 /nfs/dbraw/zinc/39/49/89/492394989.db2.gz HSYPAGYBKXROSQ-LAQRGFTBSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642798887 492395169 /nfs/dbraw/zinc/39/51/69/492395169.db2.gz HSYPAGYBKXROSQ-FZCLSBEQSA-N 2 1 374.485 0.340 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000642900625 492398886 /nfs/dbraw/zinc/39/88/86/492398886.db2.gz JAWAFKJKAGGQQD-XYPWUTKMSA-N 2 1 357.458 0.438 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000642904419 492400006 /nfs/dbraw/zinc/40/00/06/492400006.db2.gz WBDKLJRALCRTMJ-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000642904124 492400136 /nfs/dbraw/zinc/40/01/36/492400136.db2.gz RGDINLGICROSFP-SFHVURJKSA-N 2 1 358.486 0.632 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000642918951 492403679 /nfs/dbraw/zinc/40/36/79/492403679.db2.gz INHXDEGFNPJPTI-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921477 492404923 /nfs/dbraw/zinc/40/49/23/492404923.db2.gz VMETVEWVCFQXRU-ZWKOTPCHSA-N 2 1 373.501 0.041 20 0 FCADMP CCC[C@H](O)[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655148210 492406865 /nfs/dbraw/zinc/40/68/65/492406865.db2.gz ZMQOJCRXOPSWFH-ROUUACIJSA-N 2 1 355.523 0.821 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000642960164 492407597 /nfs/dbraw/zinc/40/75/97/492407597.db2.gz DRRXQBZBXMFAKX-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CC(C)([NH3+])CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150489 492408417 /nfs/dbraw/zinc/40/84/17/492408417.db2.gz BGEMAWLASBXVLP-UHFFFAOYSA-N 2 1 354.495 0.191 20 0 FCADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150491 492408838 /nfs/dbraw/zinc/40/88/38/492408838.db2.gz BHQXOMDDZVYAQV-MRXNPFEDSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642982242 492410151 /nfs/dbraw/zinc/41/01/51/492410151.db2.gz RVNOUVCZFFJIOU-CEXWTWQISA-N 2 1 370.497 0.835 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621779198 492410919 /nfs/dbraw/zinc/41/09/19/492410919.db2.gz BJCRBXXBDMZEJE-LRDDRELGSA-N 2 1 352.460 0.476 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621779198 492410921 /nfs/dbraw/zinc/41/09/21/492410921.db2.gz BJCRBXXBDMZEJE-LRDDRELGSA-N 2 1 352.460 0.476 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000642993517 492412755 /nfs/dbraw/zinc/41/27/55/492412755.db2.gz DTBMWHSKXUWDBH-SFHVURJKSA-N 2 1 356.470 0.755 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000643012085 492413472 /nfs/dbraw/zinc/41/34/72/492413472.db2.gz ITFOJIODBGDZSY-SFHVURJKSA-N 2 1 374.485 0.134 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621841623 492423685 /nfs/dbraw/zinc/42/36/85/492423685.db2.gz XUGNLXLZPKRYBQ-GJYPPUQNSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621841624 492423775 /nfs/dbraw/zinc/42/37/75/492423775.db2.gz XUGNLXLZPKRYBQ-GPMSIDNRSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621841626 492423875 /nfs/dbraw/zinc/42/38/75/492423875.db2.gz XUGNLXLZPKRYBQ-MDZRGWNJSA-N 2 1 350.507 0.810 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)c1 ZINC000622026046 492442890 /nfs/dbraw/zinc/44/28/90/492442890.db2.gz CFJQRGVWSJSUGY-HNAYVOBHSA-N 2 1 357.458 0.378 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758966 492452119 /nfs/dbraw/zinc/45/21/19/492452119.db2.gz OKKYTOLCAPEDRH-HSMRXVHUSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758966 492452122 /nfs/dbraw/zinc/45/21/22/492452122.db2.gz OKKYTOLCAPEDRH-HSMRXVHUSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758966 492452127 /nfs/dbraw/zinc/45/21/27/492452127.db2.gz OKKYTOLCAPEDRH-HSMRXVHUSA-N 2 1 350.507 0.678 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000643419443 492454068 /nfs/dbraw/zinc/45/40/68/492454068.db2.gz IXVSCHULAMRAEH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000643419443 492454072 /nfs/dbraw/zinc/45/40/72/492454072.db2.gz IXVSCHULAMRAEH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000643419443 492454076 /nfs/dbraw/zinc/45/40/76/492454076.db2.gz IXVSCHULAMRAEH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556297 492455556 /nfs/dbraw/zinc/45/55/56/492455556.db2.gz HLOYDYJRSHFXAX-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655556297 492455557 /nfs/dbraw/zinc/45/55/57/492455557.db2.gz HLOYDYJRSHFXAX-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655556297 492455559 /nfs/dbraw/zinc/45/55/59/492455559.db2.gz HLOYDYJRSHFXAX-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000655556564 492456367 /nfs/dbraw/zinc/45/63/67/492456367.db2.gz UFEZBVYMBDRHHT-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556290 492456447 /nfs/dbraw/zinc/45/64/47/492456447.db2.gz GTOAAHLPKATSIZ-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556290 492456449 /nfs/dbraw/zinc/45/64/49/492456449.db2.gz GTOAAHLPKATSIZ-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556290 492456454 /nfs/dbraw/zinc/45/64/54/492456454.db2.gz GTOAAHLPKATSIZ-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000648794871 492458473 /nfs/dbraw/zinc/45/84/73/492458473.db2.gz IOHFYVPSJRPWNX-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000643481005 492477037 /nfs/dbraw/zinc/47/70/37/492477037.db2.gz XFTILKVROKMPII-IRXDYDNUSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480973 492477093 /nfs/dbraw/zinc/47/70/93/492477093.db2.gz HROIPZAXWGGNTI-AEFFLSMTSA-N 2 1 374.485 0.296 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000643484736 492477947 /nfs/dbraw/zinc/47/79/47/492477947.db2.gz XQZSKFYYKGAXGX-KRWDZBQOSA-N 2 1 358.486 0.837 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478193 /nfs/dbraw/zinc/47/81/93/492478193.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478197 /nfs/dbraw/zinc/47/81/97/492478197.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478202 /nfs/dbraw/zinc/47/82/02/492478202.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 2 1 352.523 0.807 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643486716 492479011 /nfs/dbraw/zinc/47/90/11/492479011.db2.gz FDNMZOOEBLPIMH-NVXWUHKLSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000635603379 492479548 /nfs/dbraw/zinc/47/95/48/492479548.db2.gz OGDFXVSPFXZUML-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000643490696 492479651 /nfs/dbraw/zinc/47/96/51/492479651.db2.gz IXGYRQXDFOALMB-MSOLQXFVSA-N 2 1 362.518 0.779 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000635607646 492480181 /nfs/dbraw/zinc/48/01/81/492480181.db2.gz QMLMPAXCEGKEKF-MRXNPFEDSA-N 2 1 362.478 0.516 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000635607646 492480184 /nfs/dbraw/zinc/48/01/84/492480184.db2.gz QMLMPAXCEGKEKF-MRXNPFEDSA-N 2 1 362.478 0.516 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCO1 ZINC000643494242 492481968 /nfs/dbraw/zinc/48/19/68/492481968.db2.gz WLFKYJMJMCVWOI-KRWDZBQOSA-N 2 1 366.506 0.287 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499501 492482351 /nfs/dbraw/zinc/48/23/51/492482351.db2.gz NOJCGXKMAHFSSO-TVFCKZIOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499503 492482701 /nfs/dbraw/zinc/48/27/01/492482701.db2.gz NOJCGXKMAHFSSO-XLAORIBOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@@H](C)O1 ZINC000643498030 492482820 /nfs/dbraw/zinc/48/28/20/492482820.db2.gz KRYDEUSYWALQTP-BZUAXINKSA-N 2 1 366.506 0.426 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643513267 492486543 /nfs/dbraw/zinc/48/65/43/492486543.db2.gz LSTZISRHKXZLMR-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000643515641 492487100 /nfs/dbraw/zinc/48/71/00/492487100.db2.gz ADYHTLPHZGCSOM-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP CC(=O)N1CC[NH+]([C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)CC1 ZINC000635659956 492488129 /nfs/dbraw/zinc/48/81/29/492488129.db2.gz BMGZYSCJRLWPIU-AEFFLSMTSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000643523861 492490007 /nfs/dbraw/zinc/49/00/07/492490007.db2.gz FBBLNBHPLWEHHE-JFRXWTBNSA-N 2 1 370.497 0.786 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000643523861 492490010 /nfs/dbraw/zinc/49/00/10/492490010.db2.gz FBBLNBHPLWEHHE-JFRXWTBNSA-N 2 1 370.497 0.786 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)CC[N@@H+]1CCOC ZINC000643545017 492495997 /nfs/dbraw/zinc/49/59/97/492495997.db2.gz OFYKKMJUQUURBJ-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)CC[N@H+]1CCOC ZINC000643545017 492496000 /nfs/dbraw/zinc/49/60/00/492496000.db2.gz OFYKKMJUQUURBJ-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549724 492496679 /nfs/dbraw/zinc/49/66/79/492496679.db2.gz GMZWSSWERQLMHH-MDYRTPRTSA-N 2 1 360.502 0.674 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549773 492497041 /nfs/dbraw/zinc/49/70/41/492497041.db2.gz OTVPMSLWVOBUOV-JQHSSLGASA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)C1 ZINC000643590197 492501525 /nfs/dbraw/zinc/50/15/25/492501525.db2.gz DDHVKCJTLUZETE-HXUWFJFHSA-N 2 1 362.518 0.921 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643594502 492503667 /nfs/dbraw/zinc/50/36/67/492503667.db2.gz IIPCVCANYRSFIZ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCn1c2cc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccc2[nH]c1=O ZINC000635864621 492517985 /nfs/dbraw/zinc/51/79/85/492517985.db2.gz JQSULYJIOSWSJW-GASCZTMLSA-N 2 1 357.458 0.937 20 0 FCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656028577 492521257 /nfs/dbraw/zinc/52/12/57/492521257.db2.gz MPFQHMLVHYXOFO-IAGOWNOFSA-N 2 1 366.506 0.476 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656028446 492521649 /nfs/dbraw/zinc/52/16/49/492521649.db2.gz LFCMMPJSRIRRIM-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649346487 492541839 /nfs/dbraw/zinc/54/18/39/492541839.db2.gz KPPLOHPSFORQEL-KRWDZBQOSA-N 2 1 374.485 0.568 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000649348994 492542499 /nfs/dbraw/zinc/54/24/99/492542499.db2.gz NKOTURJHTFQVPX-CABCVRRESA-N 2 1 352.504 0.389 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC000649367827 492548116 /nfs/dbraw/zinc/54/81/16/492548116.db2.gz DHKSCBLJJNCRBT-ROUUACIJSA-N 2 1 369.473 0.960 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC000649367827 492548118 /nfs/dbraw/zinc/54/81/18/492548118.db2.gz DHKSCBLJJNCRBT-ROUUACIJSA-N 2 1 369.473 0.960 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000636315252 492579652 /nfs/dbraw/zinc/57/96/52/492579652.db2.gz JUDDPCYICAQIGT-INIZCTEOSA-N 2 1 368.547 0.436 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000656308164 492581743 /nfs/dbraw/zinc/58/17/43/492581743.db2.gz YNGQIGUAEZGKKD-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000656308167 492581849 /nfs/dbraw/zinc/58/18/49/492581849.db2.gz YNGQIGUAEZGKKD-XIRDDKMYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCC[C@H](C)C1 ZINC000636553908 492619988 /nfs/dbraw/zinc/61/99/88/492619988.db2.gz JAUNKWXJDODRMB-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCC[C@H](C)C1 ZINC000636553908 492619991 /nfs/dbraw/zinc/61/99/91/492619991.db2.gz JAUNKWXJDODRMB-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636587932 492630967 /nfs/dbraw/zinc/63/09/67/492630967.db2.gz PQWWXTDOZULIDQ-HNNXBMFYSA-N 2 1 356.536 0.714 20 0 FCADMP O[C@@H](C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000629554888 492644508 /nfs/dbraw/zinc/64/45/08/492644508.db2.gz UUIKIDZBDNKVMR-IBGZPJMESA-N 2 1 350.482 0.994 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)n2C ZINC000644071178 492644653 /nfs/dbraw/zinc/64/46/53/492644653.db2.gz YGTPWAHRZBISPI-CFVMTHIKSA-N 2 1 372.473 0.752 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)n2C ZINC000644071178 492644657 /nfs/dbraw/zinc/64/46/57/492644657.db2.gz YGTPWAHRZBISPI-CFVMTHIKSA-N 2 1 372.473 0.752 20 0 FCADMP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629569525 492647909 /nfs/dbraw/zinc/64/79/09/492647909.db2.gz XOWSEIOXQJQIAC-QGZVFWFLSA-N 2 1 354.539 0.659 20 0 FCADMP O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629573596 492651063 /nfs/dbraw/zinc/65/10/63/492651063.db2.gz JSYGLCJUQLMQAQ-QGZVFWFLSA-N 2 1 353.488 0.773 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629578093 492654868 /nfs/dbraw/zinc/65/48/68/492654868.db2.gz MCJKVWKVLYXOBT-OAHLLOKOSA-N 2 1 352.454 0.770 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+](C)CCOCC[NH3+] ZINC000629579043 492655595 /nfs/dbraw/zinc/65/55/95/492655595.db2.gz IGPMRXZSWVQUQX-AWEZNQCLSA-N 2 1 351.447 0.412 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629589909 492657630 /nfs/dbraw/zinc/65/76/30/492657630.db2.gz CYJKKRVEUTZPEB-UHFFFAOYSA-N 2 1 362.430 0.150 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629589909 492657633 /nfs/dbraw/zinc/65/76/33/492657633.db2.gz CYJKKRVEUTZPEB-UHFFFAOYSA-N 2 1 362.430 0.150 20 0 FCADMP C[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000650679497 492660885 /nfs/dbraw/zinc/66/08/85/492660885.db2.gz QUFUJFQIJGBSMQ-DNVCBOLYSA-N 2 1 358.486 0.894 20 0 FCADMP C[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000650679497 492660887 /nfs/dbraw/zinc/66/08/87/492660887.db2.gz QUFUJFQIJGBSMQ-DNVCBOLYSA-N 2 1 358.486 0.894 20 0 FCADMP C[C@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000650679497 492660897 /nfs/dbraw/zinc/66/08/97/492660897.db2.gz QUFUJFQIJGBSMQ-DNVCBOLYSA-N 2 1 358.486 0.894 20 0 FCADMP C[C@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000650679497 492660898 /nfs/dbraw/zinc/66/08/98/492660898.db2.gz QUFUJFQIJGBSMQ-DNVCBOLYSA-N 2 1 358.486 0.894 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000624682354 492672299 /nfs/dbraw/zinc/67/22/99/492672299.db2.gz RHLYNAGRQGQHHM-OAHLLOKOSA-N 2 1 356.474 0.860 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000624682354 492672301 /nfs/dbraw/zinc/67/23/01/492672301.db2.gz RHLYNAGRQGQHHM-OAHLLOKOSA-N 2 1 356.474 0.860 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225731 492672816 /nfs/dbraw/zinc/67/28/16/492672816.db2.gz VFWNJFWCJMQBQQ-FUHWJXTLSA-N 2 1 356.470 0.588 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225708 492673054 /nfs/dbraw/zinc/67/30/54/492673054.db2.gz MOCBNSKOZOAKCA-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225707 492673077 /nfs/dbraw/zinc/67/30/77/492673077.db2.gz MOCBNSKOZOAKCA-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000629809529 492682884 /nfs/dbraw/zinc/68/28/84/492682884.db2.gz GWEFEDKDLKFNJZ-BZUAXINKSA-N 2 1 359.474 0.647 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629815307 492685846 /nfs/dbraw/zinc/68/58/46/492685846.db2.gz NSDWAUAITPZSDH-SZMVWBNQSA-N 2 1 362.518 0.918 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974683 492689744 /nfs/dbraw/zinc/68/97/44/492689744.db2.gz SWJDVYFSGWLEQP-KURKYZTESA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974683 492689745 /nfs/dbraw/zinc/68/97/45/492689745.db2.gz SWJDVYFSGWLEQP-KURKYZTESA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974685 492689870 /nfs/dbraw/zinc/68/98/70/492689870.db2.gz SWJDVYFSGWLEQP-SQNIBIBYSA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974685 492689873 /nfs/dbraw/zinc/68/98/73/492689873.db2.gz SWJDVYFSGWLEQP-SQNIBIBYSA-N 2 1 366.506 0.215 20 0 FCADMP CCN1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](OC)C2)C1 ZINC000636793834 492695582 /nfs/dbraw/zinc/69/55/82/492695582.db2.gz CKQAZAWTDSAXEL-MLHJIOFPSA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](OC)C2)C1 ZINC000636793834 492695585 /nfs/dbraw/zinc/69/55/85/492695585.db2.gz CKQAZAWTDSAXEL-MLHJIOFPSA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](OC)C2)C1 ZINC000636793834 492695589 /nfs/dbraw/zinc/69/55/89/492695589.db2.gz CKQAZAWTDSAXEL-MLHJIOFPSA-N 2 1 368.522 0.990 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](OC)C2)C1 ZINC000636793834 492695595 /nfs/dbraw/zinc/69/55/95/492695595.db2.gz CKQAZAWTDSAXEL-MLHJIOFPSA-N 2 1 368.522 0.990 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651069677 492703334 /nfs/dbraw/zinc/70/33/34/492703334.db2.gz FVCAENFTXOMFKE-PKOBYXMFSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651069677 492703338 /nfs/dbraw/zinc/70/33/38/492703338.db2.gz FVCAENFTXOMFKE-PKOBYXMFSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651069677 492703341 /nfs/dbraw/zinc/70/33/41/492703341.db2.gz FVCAENFTXOMFKE-PKOBYXMFSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651069677 492703344 /nfs/dbraw/zinc/70/33/44/492703344.db2.gz FVCAENFTXOMFKE-PKOBYXMFSA-N 2 1 358.486 0.969 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000651261388 492730465 /nfs/dbraw/zinc/73/04/65/492730465.db2.gz CTUICLCMUQMLLA-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000651348010 492744509 /nfs/dbraw/zinc/74/45/09/492744509.db2.gz BVZVDSDBFUANKA-IAGOWNOFSA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000651348010 492744513 /nfs/dbraw/zinc/74/45/13/492744513.db2.gz BVZVDSDBFUANKA-IAGOWNOFSA-N 2 1 361.490 0.277 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000637036508 492755127 /nfs/dbraw/zinc/75/51/27/492755127.db2.gz LCHQRXWFYMUMLG-ROUUACIJSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000637036508 492755134 /nfs/dbraw/zinc/75/51/34/492755134.db2.gz LCHQRXWFYMUMLG-ROUUACIJSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000637036508 492755138 /nfs/dbraw/zinc/75/51/38/492755138.db2.gz LCHQRXWFYMUMLG-ROUUACIJSA-N 2 1 362.474 0.119 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644536574 492782397 /nfs/dbraw/zinc/78/23/97/492782397.db2.gz HVTSEXZDTYOSKB-NVXWUHKLSA-N 2 1 357.495 0.075 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644536574 492782402 /nfs/dbraw/zinc/78/24/02/492782402.db2.gz HVTSEXZDTYOSKB-NVXWUHKLSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)NCC[N@H+]3CCCOCC3)cn2)CC1 ZINC000637171093 492785236 /nfs/dbraw/zinc/78/52/36/492785236.db2.gz JZVIKUWYKMRTBD-UHFFFAOYSA-N 2 1 350.467 0.994 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000631269257 492807839 /nfs/dbraw/zinc/80/78/39/492807839.db2.gz OBAZTMIHLJGRGL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000631269257 492807844 /nfs/dbraw/zinc/80/78/44/492807844.db2.gz OBAZTMIHLJGRGL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC000631269257 492807848 /nfs/dbraw/zinc/80/78/48/492807848.db2.gz OBAZTMIHLJGRGL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC000631269257 492807854 /nfs/dbraw/zinc/80/78/54/492807854.db2.gz OBAZTMIHLJGRGL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873521 492807992 /nfs/dbraw/zinc/80/79/92/492807992.db2.gz IQMGPUQDDRSUPJ-UHFFFAOYSA-N 2 1 357.458 0.284 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000637376020 492816124 /nfs/dbraw/zinc/81/61/24/492816124.db2.gz CSMCPVCQONWVGT-INIZCTEOSA-N 2 1 360.462 0.253 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000645062681 492855383 /nfs/dbraw/zinc/85/53/83/492855383.db2.gz XDICZACZCBMLCL-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820785 492859067 /nfs/dbraw/zinc/85/90/67/492859067.db2.gz GGJZDSNMYLXOCP-HNNXBMFYSA-N 2 1 362.478 0.375 20 0 FCADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820785 492859070 /nfs/dbraw/zinc/85/90/70/492859070.db2.gz GGJZDSNMYLXOCP-HNNXBMFYSA-N 2 1 362.478 0.375 20 0 FCADMP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846555 492861031 /nfs/dbraw/zinc/86/10/31/492861031.db2.gz DMMUGASCQDZFAW-KRWDZBQOSA-N 2 1 358.446 0.446 20 0 FCADMP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846555 492861034 /nfs/dbraw/zinc/86/10/34/492861034.db2.gz DMMUGASCQDZFAW-KRWDZBQOSA-N 2 1 358.446 0.446 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000631848050 492862321 /nfs/dbraw/zinc/86/23/21/492862321.db2.gz LAEGEVXUWJKYLX-ROUUACIJSA-N 2 1 358.486 0.776 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC([NH2+]CCO)CC2)CC1 ZINC000631864841 492865595 /nfs/dbraw/zinc/86/55/95/492865595.db2.gz YNLKLHAGQLYGTM-UHFFFAOYSA-N 2 1 374.529 0.686 20 0 FCADMP COc1cccc([C@H](CNS(=O)(=O)N(C)C2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000631910303 492876825 /nfs/dbraw/zinc/87/68/25/492876825.db2.gz ZQLAWOLDTNZPCP-KRWDZBQOSA-N 2 1 370.519 0.816 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000631912226 492877683 /nfs/dbraw/zinc/87/76/83/492877683.db2.gz YMZJFAGOZTXXFN-UHFFFAOYSA-N 2 1 366.531 0.953 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000631914143 492880609 /nfs/dbraw/zinc/88/06/09/492880609.db2.gz MOCXGUPLGRQRPL-INIZCTEOSA-N 2 1 358.483 0.947 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000631915093 492880646 /nfs/dbraw/zinc/88/06/46/492880646.db2.gz DMCWBBXJQWXAND-UHFFFAOYSA-N 2 1 372.560 0.837 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652130904 492885157 /nfs/dbraw/zinc/88/51/57/492885157.db2.gz FHKZAIAXNVVLOC-GVDBMIGSSA-N 2 1 356.511 0.883 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652149799 492888126 /nfs/dbraw/zinc/88/81/26/492888126.db2.gz BCXSFPBLAUKLGQ-KSSFIOAISA-N 2 1 351.495 0.309 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638064053 492899028 /nfs/dbraw/zinc/89/90/28/492899028.db2.gz RKJYYSQUKGSBEX-FXAWDEMLSA-N 2 1 374.485 0.457 20 0 FCADMP CC[NH2+][C@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000638065447 492899643 /nfs/dbraw/zinc/89/96/43/492899643.db2.gz UGGSXEVKSPOQMV-OAHLLOKOSA-N 2 1 362.474 0.962 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000645419838 492903687 /nfs/dbraw/zinc/90/36/87/492903687.db2.gz UVCPEPCPIWUTAS-GOSISDBHSA-N 2 1 358.486 0.809 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638101284 492905775 /nfs/dbraw/zinc/90/57/75/492905775.db2.gz PEPVLFXQLCSKFB-RYUDHWBXSA-N 2 1 354.405 0.964 20 0 FCADMP CC[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638133980 492913466 /nfs/dbraw/zinc/91/34/66/492913466.db2.gz JZIZZSINCLROCN-RTBURBONSA-N 2 1 360.502 0.687 20 0 FCADMP CC[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638133980 492913469 /nfs/dbraw/zinc/91/34/69/492913469.db2.gz JZIZZSINCLROCN-RTBURBONSA-N 2 1 360.502 0.687 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)c2cccs2)CC1 ZINC000638135563 492915758 /nfs/dbraw/zinc/91/57/58/492915758.db2.gz UAFYKYLZFINMSG-PBHICJAKSA-N 2 1 352.504 0.531 20 0 FCADMP [NH3+]C1(CC(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000638265252 492925579 /nfs/dbraw/zinc/92/55/79/492925579.db2.gz KSTLXSAQICDAOA-GOSISDBHSA-N 3 1 360.502 0.865 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000632170651 492942853 /nfs/dbraw/zinc/94/28/53/492942853.db2.gz HNSSQMWFFDHGJU-MSOLQXFVSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000632289791 492967184 /nfs/dbraw/zinc/96/71/84/492967184.db2.gz YDZYAEOPUALFDH-MRXNPFEDSA-N 2 1 360.568 0.664 20 0 FCADMP C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000632306897 492969503 /nfs/dbraw/zinc/96/95/03/492969503.db2.gz YLVKYYLJZOGMOD-ROUUACIJSA-N 2 1 360.502 0.769 20 0 FCADMP C[C@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000638753221 492975582 /nfs/dbraw/zinc/97/55/82/492975582.db2.gz SJEMPXUXNJKBOM-KDOFPFPSSA-N 2 1 354.458 0.876 20 0 FCADMP C[C@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000638753221 492975586 /nfs/dbraw/zinc/97/55/86/492975586.db2.gz SJEMPXUXNJKBOM-KDOFPFPSSA-N 2 1 354.458 0.876 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000638788703 492978536 /nfs/dbraw/zinc/97/85/36/492978536.db2.gz QPSVLXJQGMOMOL-UHFFFAOYSA-N 2 1 361.533 0.851 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645855224 492983072 /nfs/dbraw/zinc/98/30/72/492983072.db2.gz RAFJZXRFMZRNGI-GVDBMIGSSA-N 2 1 350.507 0.681 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000645925686 492988642 /nfs/dbraw/zinc/98/86/42/492988642.db2.gz KOTHBXAPOCFZBS-UHFFFAOYSA-N 2 1 373.501 0.835 20 0 FCADMP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1COCCN1CC(F)(F)F ZINC000638985193 492990846 /nfs/dbraw/zinc/99/08/46/492990846.db2.gz BZKGQXPFSWAHHY-CYBMUJFWSA-N 2 1 373.379 0.693 20 0 FCADMP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000645952741 492992457 /nfs/dbraw/zinc/99/24/57/492992457.db2.gz MPUFPKDIEYPMMD-IAGOWNOFSA-N 2 1 358.486 0.998 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737092 493013698 /nfs/dbraw/zinc/01/36/98/493013698.db2.gz ZAGKTDUTECUUIZ-ROUUACIJSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737092 493013700 /nfs/dbraw/zinc/01/37/00/493013700.db2.gz ZAGKTDUTECUUIZ-ROUUACIJSA-N 2 1 358.486 0.440 20 0 FCADMP Cc1nccn1CCC[N@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639543481 493018560 /nfs/dbraw/zinc/01/85/60/493018560.db2.gz HNROCGVHIMPJQP-UHFFFAOYSA-N 2 1 371.507 0.054 20 0 FCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639543481 493018568 /nfs/dbraw/zinc/01/85/68/493018568.db2.gz HNROCGVHIMPJQP-UHFFFAOYSA-N 2 1 371.507 0.054 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616671 493023787 /nfs/dbraw/zinc/02/37/87/493023787.db2.gz CJOAXUZSQKHQJM-OALUTQOASA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616671 493023792 /nfs/dbraw/zinc/02/37/92/493023792.db2.gz CJOAXUZSQKHQJM-OALUTQOASA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616671 493023797 /nfs/dbraw/zinc/02/37/97/493023797.db2.gz CJOAXUZSQKHQJM-OALUTQOASA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616671 493023800 /nfs/dbraw/zinc/02/38/00/493023800.db2.gz CJOAXUZSQKHQJM-OALUTQOASA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616671 493023805 /nfs/dbraw/zinc/02/38/05/493023805.db2.gz CJOAXUZSQKHQJM-OALUTQOASA-N 2 1 358.442 0.297 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1 ZINC000639849630 493056174 /nfs/dbraw/zinc/05/61/74/493056174.db2.gz PWLBXVYFQCCSMT-IYWMVGAKSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639849630 493056177 /nfs/dbraw/zinc/05/61/77/493056177.db2.gz PWLBXVYFQCCSMT-IYWMVGAKSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639849630 493056178 /nfs/dbraw/zinc/05/61/78/493056178.db2.gz PWLBXVYFQCCSMT-IYWMVGAKSA-N 2 1 364.486 0.322 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626975494 493072822 /nfs/dbraw/zinc/07/28/22/493072822.db2.gz YACKFCSVHSWPJC-JHJVBQTASA-N 2 1 351.417 0.401 20 0 FCADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658855214 493086934 /nfs/dbraw/zinc/08/69/34/493086934.db2.gz HKWUGAOWMCSIRY-IBGZPJMESA-N 2 1 372.513 0.782 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633075461 493115227 /nfs/dbraw/zinc/11/52/27/493115227.db2.gz GTPLMVLWPVZKSZ-HDICACEKSA-N 2 1 356.470 0.684 20 0 FCADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627258118 493121330 /nfs/dbraw/zinc/12/13/30/493121330.db2.gz UVAIWANJZRLXJE-QYZOEREBSA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258118 493121334 /nfs/dbraw/zinc/12/13/34/493121334.db2.gz UVAIWANJZRLXJE-QYZOEREBSA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627258118 493121338 /nfs/dbraw/zinc/12/13/38/493121338.db2.gz UVAIWANJZRLXJE-QYZOEREBSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974854 493138127 /nfs/dbraw/zinc/13/81/27/493138127.db2.gz GXYICAYRXFDHSO-INIZCTEOSA-N 2 1 359.474 0.449 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297117 493139161 /nfs/dbraw/zinc/13/91/61/493139161.db2.gz BRBVJCICURWENZ-HUUCEWRRSA-N 2 1 354.495 0.189 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@H]2C1 ZINC000659072851 493139401 /nfs/dbraw/zinc/13/94/01/493139401.db2.gz CYRLVNHMPVXBHA-JLSDUUJJSA-N 2 1 372.469 0.839 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000633481567 493159115 /nfs/dbraw/zinc/15/91/15/493159115.db2.gz VCRVBPYYCNGKEX-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000627357620 493174201 /nfs/dbraw/zinc/17/42/01/493174201.db2.gz LCJXMQGDOPNWNB-ROUUACIJSA-N 2 1 374.485 0.044 20 0 FCADMP c1c(CN2CC[NH2+]CC2)nnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000641180199 493176616 /nfs/dbraw/zinc/17/66/16/493176616.db2.gz AXTPQODSTGADJL-UHFFFAOYSA-N 2 1 356.474 0.564 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000659442086 493177941 /nfs/dbraw/zinc/17/79/41/493177941.db2.gz MBQGFTYRWFZFTF-UHFFFAOYSA-N 2 1 362.459 0.560 20 0 FCADMP Cc1cccc(OC[C@@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641195323 493177943 /nfs/dbraw/zinc/17/79/43/493177943.db2.gz YBEWHXBFBXASHE-SFHVURJKSA-N 2 1 359.474 0.992 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000659442086 493177944 /nfs/dbraw/zinc/17/79/44/493177944.db2.gz MBQGFTYRWFZFTF-UHFFFAOYSA-N 2 1 362.459 0.560 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)COCc3ccccc3)nn2)CC1 ZINC000641197051 493178120 /nfs/dbraw/zinc/17/81/20/493178120.db2.gz KBCIITLSVIRTOF-LJQANCHMSA-N 2 1 359.474 0.821 20 0 FCADMP Cc1cccc(OC[C@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641195322 493178477 /nfs/dbraw/zinc/17/84/77/493178477.db2.gz YBEWHXBFBXASHE-GOSISDBHSA-N 2 1 359.474 0.992 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]2CCCC2)o1 ZINC000627365337 493180507 /nfs/dbraw/zinc/18/05/07/493180507.db2.gz MCZLOCGOQIWKNZ-HNNXBMFYSA-N 2 1 366.462 0.275 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659455565 493182916 /nfs/dbraw/zinc/18/29/16/493182916.db2.gz BSIGQJMUJMEADO-MDCZIUGASA-N 2 1 358.490 0.725 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659454180 493183914 /nfs/dbraw/zinc/18/39/14/493183914.db2.gz YHUGENAQEUOFES-RCCFBDPRSA-N 2 1 363.481 0.816 20 0 FCADMP [NH3+]Cc1cnn(Cc2cn(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)c1 ZINC000641228845 493185020 /nfs/dbraw/zinc/18/50/20/493185020.db2.gz FDWVSUVGRFYIEG-IBGZPJMESA-N 2 1 367.457 0.619 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659477559 493189654 /nfs/dbraw/zinc/18/96/54/493189654.db2.gz KSRRNHQWKPPQKB-CYBMUJFWSA-N 2 1 358.446 0.961 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000672525063 493191194 /nfs/dbraw/zinc/19/11/94/493191194.db2.gz CMBZIDGLKZWNAA-CYBMUJFWSA-N 2 1 350.467 0.093 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659583733 493216829 /nfs/dbraw/zinc/21/68/29/493216829.db2.gz QRMHORQRJLGEKB-JFIYKMOQSA-N 2 1 350.438 0.637 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609502 493220320 /nfs/dbraw/zinc/22/03/20/493220320.db2.gz AYVHXVOZOYBHDT-QPIRBTGLSA-N 2 1 357.502 0.854 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609502 493220322 /nfs/dbraw/zinc/22/03/22/493220322.db2.gz AYVHXVOZOYBHDT-QPIRBTGLSA-N 2 1 357.502 0.854 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000672700075 493236729 /nfs/dbraw/zinc/23/67/29/493236729.db2.gz YMYHOKLWABXOTK-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000666924834 493237255 /nfs/dbraw/zinc/23/72/55/493237255.db2.gz MBERRTQUPJMIGP-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000666924834 493237261 /nfs/dbraw/zinc/23/72/61/493237261.db2.gz MBERRTQUPJMIGP-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000666924834 493237265 /nfs/dbraw/zinc/23/72/65/493237265.db2.gz MBERRTQUPJMIGP-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666969833 493243413 /nfs/dbraw/zinc/24/34/13/493243413.db2.gz CKNGGRWFXHPWDI-ZWKOTPCHSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978217 493245130 /nfs/dbraw/zinc/24/51/30/493245130.db2.gz UQQLUOHMTDNCPL-DLBZAZTESA-N 2 1 354.495 0.386 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000641492169 493246125 /nfs/dbraw/zinc/24/61/25/493246125.db2.gz WEOPFHYJVHWXHZ-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659683337 493249983 /nfs/dbraw/zinc/24/99/83/493249983.db2.gz REKNKDZKEBVTIM-WCVJEAGWSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659683337 493249985 /nfs/dbraw/zinc/24/99/85/493249985.db2.gz REKNKDZKEBVTIM-WCVJEAGWSA-N 2 1 368.522 0.576 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659690620 493255220 /nfs/dbraw/zinc/25/52/20/493255220.db2.gz PGNWVHZHZARIML-QGZVFWFLSA-N 2 1 361.490 0.936 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000659692280 493255944 /nfs/dbraw/zinc/25/59/44/493255944.db2.gz YWOLUAJXUAYNSO-HNNXBMFYSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000659692280 493255947 /nfs/dbraw/zinc/25/59/47/493255947.db2.gz YWOLUAJXUAYNSO-HNNXBMFYSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000681948500 493256085 /nfs/dbraw/zinc/25/60/85/493256085.db2.gz BBNVFBRLWCSISH-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[N@H+]1C1CC1 ZINC000659694533 493258158 /nfs/dbraw/zinc/25/81/58/493258158.db2.gz VJDKZRHVEVDHFD-OIISXLGYSA-N 2 1 362.518 0.966 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCC1 ZINC000659696952 493258507 /nfs/dbraw/zinc/25/85/07/493258507.db2.gz DTMNSBCEYCVFHM-UHFFFAOYSA-N 2 1 358.486 0.939 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659700053 493260212 /nfs/dbraw/zinc/26/02/12/493260212.db2.gz YXQBKZNMLDGSTG-HOTGVXAUSA-N 2 1 361.490 0.037 20 0 FCADMP CC1(C)CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000682007547 493260815 /nfs/dbraw/zinc/26/08/15/493260815.db2.gz GMOABQRYXRMJTN-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000682007547 493260816 /nfs/dbraw/zinc/26/08/16/493260816.db2.gz GMOABQRYXRMJTN-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000682007547 493260819 /nfs/dbraw/zinc/26/08/19/493260819.db2.gz GMOABQRYXRMJTN-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000682007547 493260823 /nfs/dbraw/zinc/26/08/23/493260823.db2.gz GMOABQRYXRMJTN-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705939 493264325 /nfs/dbraw/zinc/26/43/25/493264325.db2.gz AATABYQLWQPMLW-IAGOWNOFSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659707792 493265223 /nfs/dbraw/zinc/26/52/23/493265223.db2.gz YXJKIOJFCPJJEP-QGZVFWFLSA-N 2 1 366.506 0.063 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1)[NH+]1CCOCC1 ZINC000667296645 493274299 /nfs/dbraw/zinc/27/42/99/493274299.db2.gz QLUDPMKBCWUQBA-AWEZNQCLSA-N 2 1 360.458 0.887 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000659734734 493278811 /nfs/dbraw/zinc/27/88/11/493278811.db2.gz BRKQLNDRFUSVMR-GOEBONIOSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CCO1 ZINC000667397751 493281434 /nfs/dbraw/zinc/28/14/34/493281434.db2.gz GZGCQZGFMRCUAD-ABAIWWIYSA-N 2 1 368.865 0.915 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811305 493303169 /nfs/dbraw/zinc/30/31/69/493303169.db2.gz JHYZODKKZUIASQ-HNNXBMFYSA-N 2 1 365.526 0.845 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000673275232 493310061 /nfs/dbraw/zinc/31/00/61/493310061.db2.gz OAPXMWFJPZFCPF-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000673337280 493318897 /nfs/dbraw/zinc/31/88/97/493318897.db2.gz FTHUDGRYDILIHL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673337280 493318900 /nfs/dbraw/zinc/31/89/00/493318900.db2.gz FTHUDGRYDILIHL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673337280 493318903 /nfs/dbraw/zinc/31/89/03/493318903.db2.gz FTHUDGRYDILIHL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000673351074 493320090 /nfs/dbraw/zinc/32/00/90/493320090.db2.gz JGODILIHVIPVHE-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000668511045 493367669 /nfs/dbraw/zinc/36/76/69/493367669.db2.gz CFYNUCBACRPKMW-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000668511045 493367671 /nfs/dbraw/zinc/36/76/71/493367671.db2.gz CFYNUCBACRPKMW-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000668511045 493367673 /nfs/dbraw/zinc/36/76/73/493367673.db2.gz CFYNUCBACRPKMW-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668511534 493368104 /nfs/dbraw/zinc/36/81/04/493368104.db2.gz JCRGDTDSMLXQAM-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668511534 493368105 /nfs/dbraw/zinc/36/81/05/493368105.db2.gz JCRGDTDSMLXQAM-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668511534 493368107 /nfs/dbraw/zinc/36/81/07/493368107.db2.gz JCRGDTDSMLXQAM-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673033 493371467 /nfs/dbraw/zinc/37/14/67/493371467.db2.gz ZINYQHJFFTXLOS-MRXNPFEDSA-N 2 1 372.535 0.403 20 0 FCADMP C[C@@H]1CN(C/C=C\CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000660726589 493375978 /nfs/dbraw/zinc/37/59/78/493375978.db2.gz XEXAALJKEFGWHM-DQTQQJQMSA-N 2 1 368.566 0.316 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982734 493379432 /nfs/dbraw/zinc/37/94/32/493379432.db2.gz NKFKNXDOTXCHEP-FUHWJXTLSA-N 2 1 369.579 0.845 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCSC1 ZINC000673982288 493379452 /nfs/dbraw/zinc/37/94/52/493379452.db2.gz KEBUVAKHBCJZKH-DOTOQJQBSA-N 2 1 356.536 0.930 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729011 493402828 /nfs/dbraw/zinc/40/28/28/493402828.db2.gz ZFVHQOXNGDAHJI-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729011 493402829 /nfs/dbraw/zinc/40/28/29/493402829.db2.gz ZFVHQOXNGDAHJI-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cn2)CC1 ZINC000668741376 493404473 /nfs/dbraw/zinc/40/44/73/493404473.db2.gz RHBFHVMMYDRFOE-GOSISDBHSA-N 2 1 360.506 0.259 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC([N@H+]4CC[C@@H](O)C4)CC3)cn2)CC1 ZINC000668741376 493404475 /nfs/dbraw/zinc/40/44/75/493404475.db2.gz RHBFHVMMYDRFOE-GOSISDBHSA-N 2 1 360.506 0.259 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668751531 493405208 /nfs/dbraw/zinc/40/52/08/493405208.db2.gz WOUNRMVGBIXLPC-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668751531 493405212 /nfs/dbraw/zinc/40/52/12/493405212.db2.gz WOUNRMVGBIXLPC-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668751531 493405215 /nfs/dbraw/zinc/40/52/15/493405215.db2.gz WOUNRMVGBIXLPC-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCS(N)(=O)=O)CC2)CC1 ZINC000674306327 493406370 /nfs/dbraw/zinc/40/63/70/493406370.db2.gz GPVYUQFMLQGGBZ-UHFFFAOYSA-N 2 1 360.568 0.793 20 0 FCADMP C[N@H+](CCCS(N)(=O)=O)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306327 493406373 /nfs/dbraw/zinc/40/63/73/493406373.db2.gz GPVYUQFMLQGGBZ-UHFFFAOYSA-N 3 1 360.568 0.793 20 0 FCADMP C[N@@H+](CCCS(N)(=O)=O)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306327 493406376 /nfs/dbraw/zinc/40/63/76/493406376.db2.gz GPVYUQFMLQGGBZ-UHFFFAOYSA-N 3 1 360.568 0.793 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668788267 493411288 /nfs/dbraw/zinc/41/12/88/493411288.db2.gz YCLUCXOQAOOHFD-INIZCTEOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596722 493449727 /nfs/dbraw/zinc/44/97/27/493449727.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596722 493449730 /nfs/dbraw/zinc/44/97/30/493449730.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596722 493449733 /nfs/dbraw/zinc/44/97/33/493449733.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 2 1 362.518 0.824 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000661663375 493456377 /nfs/dbraw/zinc/45/63/77/493456377.db2.gz UKZZKMSAHWYIBK-KRWDZBQOSA-N 2 1 369.554 0.317 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000661663375 493456379 /nfs/dbraw/zinc/45/63/79/493456379.db2.gz UKZZKMSAHWYIBK-KRWDZBQOSA-N 2 1 369.554 0.317 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806863 493466329 /nfs/dbraw/zinc/46/63/29/493466329.db2.gz IGFNXIWUAXRBIO-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806863 493466332 /nfs/dbraw/zinc/46/63/32/493466332.db2.gz IGFNXIWUAXRBIO-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806863 493466335 /nfs/dbraw/zinc/46/63/35/493466335.db2.gz IGFNXIWUAXRBIO-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806863 493466338 /nfs/dbraw/zinc/46/63/38/493466338.db2.gz IGFNXIWUAXRBIO-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685338264 493478421 /nfs/dbraw/zinc/47/84/21/493478421.db2.gz BJSHRXBHMIHTMH-DOTOQJQBSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685338264 493478423 /nfs/dbraw/zinc/47/84/23/493478423.db2.gz BJSHRXBHMIHTMH-DOTOQJQBSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685338264 493478426 /nfs/dbraw/zinc/47/84/26/493478426.db2.gz BJSHRXBHMIHTMH-DOTOQJQBSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685338264 493478428 /nfs/dbraw/zinc/47/84/28/493478428.db2.gz BJSHRXBHMIHTMH-DOTOQJQBSA-N 2 1 368.522 0.401 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000669227855 493479912 /nfs/dbraw/zinc/47/99/12/493479912.db2.gz HORLNHGGQCOEOP-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661974329 493479988 /nfs/dbraw/zinc/47/99/88/493479988.db2.gz WQKMPIHUZSJUHX-MSOLQXFVSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340458 493480141 /nfs/dbraw/zinc/48/01/41/493480141.db2.gz QRHLUVOTWBSHQU-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340458 493480143 /nfs/dbraw/zinc/48/01/43/493480143.db2.gz QRHLUVOTWBSHQU-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340465 493480850 /nfs/dbraw/zinc/48/08/50/493480850.db2.gz QRHLUVOTWBSHQU-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340465 493480851 /nfs/dbraw/zinc/48/08/51/493480851.db2.gz QRHLUVOTWBSHQU-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CN(C(=O)CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)C1CCCCC1 ZINC000662261021 493500395 /nfs/dbraw/zinc/50/03/95/493500395.db2.gz FLHDWFIRHFFVHX-GOSISDBHSA-N 2 1 364.534 0.916 20 0 FCADMP COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261913 493500635 /nfs/dbraw/zinc/50/06/35/493500635.db2.gz PNSXHHCXYMSTIX-KRWDZBQOSA-N 2 1 374.529 0.991 20 0 FCADMP COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261914 493500802 /nfs/dbraw/zinc/50/08/02/493500802.db2.gz PNSXHHCXYMSTIX-QGZVFWFLSA-N 2 1 374.529 0.991 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669444088 493504561 /nfs/dbraw/zinc/50/45/61/493504561.db2.gz YOIJXFYDSFVNSS-JYJNAYRXSA-N 2 1 351.495 0.323 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC[NH2+]C3CC3)c2)C1 ZINC000669470027 493504947 /nfs/dbraw/zinc/50/49/47/493504947.db2.gz YAGIMZRCWIUZJN-KRWDZBQOSA-N 2 1 373.501 0.935 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)[C@@H]1CCC[NH3+] ZINC000662318423 493506067 /nfs/dbraw/zinc/50/60/67/493506067.db2.gz ZENMODHERSSEPQ-IAGOWNOFSA-N 2 1 360.506 0.965 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486545 493506656 /nfs/dbraw/zinc/50/66/56/493506656.db2.gz WGUUSAHWBPGZTK-IAGOWNOFSA-N 2 1 353.511 0.210 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669488037 493507571 /nfs/dbraw/zinc/50/75/71/493507571.db2.gz DRQGLXMPZZEOBJ-FGTMMUONSA-N 2 1 372.517 0.986 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491347 493507589 /nfs/dbraw/zinc/50/75/89/493507589.db2.gz WGOGLINCBAKEGJ-DLBZAZTESA-N 2 1 363.506 0.324 20 0 FCADMP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337596 493507677 /nfs/dbraw/zinc/50/76/77/493507677.db2.gz LUOQFZRUUKUXTM-DLBZAZTESA-N 2 1 362.522 0.719 20 0 FCADMP C[C@@H]1CN(CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338483 493508049 /nfs/dbraw/zinc/50/80/49/493508049.db2.gz SASAQAYKUXIJRN-SJORKVTESA-N 2 1 362.522 0.719 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@H+]1C[C@H](C)O ZINC000662529342 493523934 /nfs/dbraw/zinc/52/39/34/493523934.db2.gz VVXIAWPXLBQQAJ-UNQWWWNPSA-N 2 1 363.506 0.335 20 0 FCADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662553729 493525850 /nfs/dbraw/zinc/52/58/50/493525850.db2.gz KPRNBOXVQQRCIJ-CQSZACIVSA-N 2 1 361.446 0.178 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662706112 493533425 /nfs/dbraw/zinc/53/34/25/493533425.db2.gz XFRVUDUDOFTWPI-IAGOWNOFSA-N 2 1 374.489 0.576 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662715371 493534169 /nfs/dbraw/zinc/53/41/69/493534169.db2.gz HOCGAVIQURUMNB-KRWDZBQOSA-N 2 1 368.428 0.977 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662722702 493534720 /nfs/dbraw/zinc/53/47/20/493534720.db2.gz HYGDOVPVXQOKTB-CABCVRRESA-N 2 1 350.467 0.385 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662722702 493534721 /nfs/dbraw/zinc/53/47/21/493534721.db2.gz HYGDOVPVXQOKTB-CABCVRRESA-N 2 1 350.467 0.385 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755539 493539347 /nfs/dbraw/zinc/53/93/47/493539347.db2.gz CYWZHUSVPFWKAC-GUDVDZBRSA-N 2 1 360.502 0.845 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755539 493539350 /nfs/dbraw/zinc/53/93/50/493539350.db2.gz CYWZHUSVPFWKAC-GUDVDZBRSA-N 2 1 360.502 0.845 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755539 493539353 /nfs/dbraw/zinc/53/93/53/493539353.db2.gz CYWZHUSVPFWKAC-GUDVDZBRSA-N 2 1 360.502 0.845 20 0 FCADMP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676308479 493544455 /nfs/dbraw/zinc/54/44/55/493544455.db2.gz XDPHRZILQARDTM-IRXDYDNUSA-N 3 1 357.543 0.621 20 0 FCADMP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676308479 493544458 /nfs/dbraw/zinc/54/44/58/493544458.db2.gz XDPHRZILQARDTM-IRXDYDNUSA-N 3 1 357.543 0.621 20 0 FCADMP CC[N@H+]1CCC[C@H](CN(C)C(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1c1cnn(C)c1 ZINC000662863510 493547799 /nfs/dbraw/zinc/54/77/99/493547799.db2.gz HMIRUJTUUNPRRF-BPQIPLTHSA-N 2 1 363.506 0.888 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394350 493549019 /nfs/dbraw/zinc/54/90/19/493549019.db2.gz ZTBZDBPUOZPBSJ-FPOVZHCZSA-N 2 1 373.497 0.993 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000662929126 493554909 /nfs/dbraw/zinc/55/49/09/493554909.db2.gz ZDFYREHVCPDBRR-QLFBSQMISA-N 2 1 354.495 0.282 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000662929126 493554912 /nfs/dbraw/zinc/55/49/12/493554912.db2.gz ZDFYREHVCPDBRR-QLFBSQMISA-N 2 1 354.495 0.282 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)CC1 ZINC000662943858 493558018 /nfs/dbraw/zinc/55/80/18/493558018.db2.gz ZQOYHRARAPQDHJ-UHFFFAOYSA-N 2 1 367.538 0.199 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000662950535 493559952 /nfs/dbraw/zinc/55/99/52/493559952.db2.gz MSFAXHMJMAPZPT-ZHALLVOQSA-N 2 1 372.513 0.971 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000662951546 493560147 /nfs/dbraw/zinc/56/01/47/493560147.db2.gz LSNDDAHCRGJTJE-GHTZIAJQSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000662956990 493560511 /nfs/dbraw/zinc/56/05/11/493560511.db2.gz CTEHRRSBCRDTEE-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662962516 493561558 /nfs/dbraw/zinc/56/15/58/493561558.db2.gz KAWKJANPNKNGBI-SFHVURJKSA-N 2 1 360.502 0.830 20 0 FCADMP CC(C)COCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670716995 493589957 /nfs/dbraw/zinc/58/99/57/493589957.db2.gz NWWAXPMZZGUFLY-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)COCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670716995 493589959 /nfs/dbraw/zinc/58/99/59/493589959.db2.gz NWWAXPMZZGUFLY-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670804568 493598442 /nfs/dbraw/zinc/59/84/42/493598442.db2.gz LMIKUXSDBDGLAG-IAGOWNOFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663612450 493603984 /nfs/dbraw/zinc/60/39/84/493603984.db2.gz HMJKTPSUGUYHMQ-IFXJQAMLSA-N 2 1 360.458 0.887 20 0 FCADMP CCOCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671030848 493624156 /nfs/dbraw/zinc/62/41/56/493624156.db2.gz MOJSLIAHXNKULI-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000671033355 493625671 /nfs/dbraw/zinc/62/56/71/493625671.db2.gz YRCASEMOLKQYGF-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000671070931 493629102 /nfs/dbraw/zinc/62/91/02/493629102.db2.gz SHFPSLNYIIFCKZ-YOEHRIQHSA-N 2 1 354.520 0.140 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671104245 493633971 /nfs/dbraw/zinc/63/39/71/493633971.db2.gz SSZVMCOKIMJPPA-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000671106628 493636087 /nfs/dbraw/zinc/63/60/87/493636087.db2.gz HZFCDCDMOPIQND-VQHPVUNQSA-N 2 1 366.506 0.345 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671365611 493661048 /nfs/dbraw/zinc/66/10/48/493661048.db2.gz IVUDAKMYWYURDF-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000671390472 493663522 /nfs/dbraw/zinc/66/35/22/493663522.db2.gz RJPJJHRYCQEJIC-DOTOQJQBSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404579 493666751 /nfs/dbraw/zinc/66/67/51/493666751.db2.gz NUKXQTMBTYXDRE-IRXDYDNUSA-N 2 1 373.501 0.967 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000679507296 493684512 /nfs/dbraw/zinc/68/45/12/493684512.db2.gz ZHTGMUGERANRHV-OAHLLOKOSA-N 2 1 354.414 0.903 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664957021 493691955 /nfs/dbraw/zinc/69/19/55/493691955.db2.gz CBLGCBRPPIYRIH-KRWDZBQOSA-N 2 1 354.495 0.605 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671941583 493716730 /nfs/dbraw/zinc/71/67/30/493716730.db2.gz GCSBXWYUNBEIQD-HOCLYGCPSA-N 2 1 354.495 0.202 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671941583 493716732 /nfs/dbraw/zinc/71/67/32/493716732.db2.gz GCSBXWYUNBEIQD-HOCLYGCPSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CC[NH+](C)CC1 ZINC000672012777 493724637 /nfs/dbraw/zinc/72/46/37/493724637.db2.gz WJDOJSJBINTSRD-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672014051 493725013 /nfs/dbraw/zinc/72/50/13/493725013.db2.gz POQDHXKLAABIQG-UAGQMJEPSA-N 2 1 350.507 0.918 20 0 FCADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000665651322 493729201 /nfs/dbraw/zinc/72/92/01/493729201.db2.gz BTVPEZRKYVKPSH-WOJBJXKFSA-N 2 1 374.529 0.887 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000665651322 493729203 /nfs/dbraw/zinc/72/92/03/493729203.db2.gz BTVPEZRKYVKPSH-WOJBJXKFSA-N 2 1 374.529 0.887 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000672305816 493751670 /nfs/dbraw/zinc/75/16/70/493751670.db2.gz FCQFXXIHSLVKLC-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672306652 493752732 /nfs/dbraw/zinc/75/27/32/493752732.db2.gz RQGCEKNUKYQZAJ-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311308 493754890 /nfs/dbraw/zinc/75/48/90/493754890.db2.gz CUISJHPRWQWUSD-PBHICJAKSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1C[NH+](C)C ZINC000411548534 533935965 /nfs/dbraw/zinc/93/59/65/533935965.db2.gz DZKABJGLVZZTHS-SFHVURJKSA-N 2 1 374.485 0.975 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1C[NH+](C)C ZINC000411548534 533935970 /nfs/dbraw/zinc/93/59/70/533935970.db2.gz DZKABJGLVZZTHS-SFHVURJKSA-N 2 1 374.485 0.975 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000187334090 534309305 /nfs/dbraw/zinc/30/93/05/534309305.db2.gz SZJOLPOWCSPPKN-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419452402 536496645 /nfs/dbraw/zinc/49/66/45/536496645.db2.gz PGAWESRLGNXJRQ-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419444211 536496895 /nfs/dbraw/zinc/49/68/95/536496895.db2.gz CDEYZGCGTBOKPZ-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000410431095 527801812 /nfs/dbraw/zinc/80/18/12/527801812.db2.gz GSCNZDZEOWYNKL-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847518 527805131 /nfs/dbraw/zinc/80/51/31/527805131.db2.gz WOSFUWXOGWOSOL-FUHWJXTLSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@@H+]1C ZINC000410570206 527819897 /nfs/dbraw/zinc/81/98/97/527819897.db2.gz ACXNLMJMDNWMMX-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@H+]1C ZINC000410570206 527819900 /nfs/dbraw/zinc/81/99/00/527819900.db2.gz ACXNLMJMDNWMMX-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH+]1C ZINC000410570206 527819904 /nfs/dbraw/zinc/81/99/04/527819904.db2.gz ACXNLMJMDNWMMX-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH+]1C ZINC000410570206 527819911 /nfs/dbraw/zinc/81/99/11/527819911.db2.gz ACXNLMJMDNWMMX-QGZVFWFLSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000410435991 527820197 /nfs/dbraw/zinc/82/01/97/527820197.db2.gz QZBPJTRUYXMISM-DLBZAZTESA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000410435991 527820202 /nfs/dbraw/zinc/82/02/02/527820202.db2.gz QZBPJTRUYXMISM-DLBZAZTESA-N 2 1 368.522 0.354 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410978438 527829497 /nfs/dbraw/zinc/82/94/97/527829497.db2.gz LFUPSXPSZZXJEL-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410978438 527829501 /nfs/dbraw/zinc/82/95/01/527829501.db2.gz LFUPSXPSZZXJEL-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410978438 527829508 /nfs/dbraw/zinc/82/95/08/527829508.db2.gz LFUPSXPSZZXJEL-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000410694867 527846049 /nfs/dbraw/zinc/84/60/49/527846049.db2.gz DNWRDHDNIDFEFK-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000410694867 527846055 /nfs/dbraw/zinc/84/60/55/527846055.db2.gz DNWRDHDNIDFEFK-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410694867 527846059 /nfs/dbraw/zinc/84/60/59/527846059.db2.gz DNWRDHDNIDFEFK-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410694867 527846063 /nfs/dbraw/zinc/84/60/63/527846063.db2.gz DNWRDHDNIDFEFK-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410708092 527923331 /nfs/dbraw/zinc/92/33/31/527923331.db2.gz AXFCLVYROYZIQX-JKSUJKDBSA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410708092 527923332 /nfs/dbraw/zinc/92/33/32/527923332.db2.gz AXFCLVYROYZIQX-JKSUJKDBSA-N 2 1 368.522 0.497 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410908272 528066327 /nfs/dbraw/zinc/06/63/27/528066327.db2.gz GXZCKYBBMFOPRW-IYBDPMFKSA-N 2 1 356.511 0.090 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410908272 528066330 /nfs/dbraw/zinc/06/63/30/528066330.db2.gz GXZCKYBBMFOPRW-IYBDPMFKSA-N 2 1 356.511 0.090 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413535277 528233458 /nfs/dbraw/zinc/23/34/58/528233458.db2.gz FBPJEHPTAGBVNF-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413535277 528233461 /nfs/dbraw/zinc/23/34/61/528233461.db2.gz FBPJEHPTAGBVNF-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410940128 528282662 /nfs/dbraw/zinc/28/26/62/528282662.db2.gz ZFZZPQMIBZBFRO-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410940128 528282667 /nfs/dbraw/zinc/28/26/67/528282667.db2.gz ZFZZPQMIBZBFRO-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413591977 528831490 /nfs/dbraw/zinc/83/14/90/528831490.db2.gz VTEOFMAWMNEGBA-KRWDZBQOSA-N 2 1 369.554 0.811 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413241324 529341393 /nfs/dbraw/zinc/34/13/93/529341393.db2.gz KADSDWMJJIHAPE-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP CC1(CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000419395687 535125405 /nfs/dbraw/zinc/12/54/05/535125405.db2.gz RBTGWLOLLLRPPO-UHFFFAOYSA-N 2 1 358.486 0.667 20 0 FCADMP CC1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000419395687 535125413 /nfs/dbraw/zinc/12/54/13/535125413.db2.gz RBTGWLOLLLRPPO-UHFFFAOYSA-N 2 1 358.486 0.667 20 0 FCADMP CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]CC1 ZINC000419224919 535126490 /nfs/dbraw/zinc/12/64/90/535126490.db2.gz FZYNHFFOZKNBCW-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH2+]CC1 ZINC000419224918 535127081 /nfs/dbraw/zinc/12/70/81/535127081.db2.gz FZYNHFFOZKNBCW-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423522822 535425955 /nfs/dbraw/zinc/42/59/55/535425955.db2.gz HQBKRVBBXVPWGR-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423522822 535425961 /nfs/dbraw/zinc/42/59/61/535425961.db2.gz HQBKRVBBXVPWGR-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419591402 535502320 /nfs/dbraw/zinc/50/23/20/535502320.db2.gz QZDXXDHCJZLHBI-OKZBNKHCSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1=O ZINC000424029250 535553524 /nfs/dbraw/zinc/55/35/24/535553524.db2.gz ZEBNRHBLFGOCCY-WCXIOVBPSA-N 2 1 350.507 0.763 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@](C)=O)CC1 ZINC000442714274 535594362 /nfs/dbraw/zinc/59/43/62/535594362.db2.gz JOGZYJDIBUAZLT-OWJWWREXSA-N 2 1 358.552 0.955 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446378912 535695781 /nfs/dbraw/zinc/69/57/81/535695781.db2.gz XQJHNQBSTFCHOK-JTDSTZFVSA-N 2 1 352.523 0.663 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446378911 535696636 /nfs/dbraw/zinc/69/66/36/535696636.db2.gz XQJHNQBSTFCHOK-GPMSIDNRSA-N 2 1 352.523 0.663 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419824359 535709858 /nfs/dbraw/zinc/70/98/58/535709858.db2.gz MRAUMLQYQBEXPK-BRWVUGGUSA-N 2 1 367.538 0.010 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC[N@@H+]1CCOC ZINC000423532174 535732550 /nfs/dbraw/zinc/73/25/50/535732550.db2.gz UZECFWTWNCAESD-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC[N@H+]1CCOC ZINC000423532174 535732554 /nfs/dbraw/zinc/73/25/54/535732554.db2.gz UZECFWTWNCAESD-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423486954 535771120 /nfs/dbraw/zinc/77/11/20/535771120.db2.gz WXFYWGPCSACCTH-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423711248 535973053 /nfs/dbraw/zinc/97/30/53/535973053.db2.gz MASKKULQVDXDSA-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1Cl ZINC000439857083 535993482 /nfs/dbraw/zinc/99/34/82/535993482.db2.gz OCEYPYXDKABWDP-KRWDZBQOSA-N 2 1 368.865 0.523 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1Cl ZINC000439857083 535993487 /nfs/dbraw/zinc/99/34/87/535993487.db2.gz OCEYPYXDKABWDP-KRWDZBQOSA-N 2 1 368.865 0.523 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419897691 536103630 /nfs/dbraw/zinc/10/36/30/536103630.db2.gz VYEZCGAXXCXVCN-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419897691 536103634 /nfs/dbraw/zinc/10/36/34/536103634.db2.gz VYEZCGAXXCXVCN-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423375991 536367665 /nfs/dbraw/zinc/36/76/65/536367665.db2.gz IZBJEVWKWLWVFZ-JFIYKMOQSA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423375991 536367668 /nfs/dbraw/zinc/36/76/68/536367668.db2.gz IZBJEVWKWLWVFZ-JFIYKMOQSA-N 2 1 358.486 0.928 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423382914 536372065 /nfs/dbraw/zinc/37/20/65/536372065.db2.gz KAZLUWXCAKQHPZ-UHFFFAOYSA-N 2 1 373.501 0.217 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423385959 536372078 /nfs/dbraw/zinc/37/20/78/536372078.db2.gz LNMRDNSTSTZLJI-QGZVFWFLSA-N 2 1 373.501 0.074 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cn2)CC1 ZINC000423386360 536404940 /nfs/dbraw/zinc/40/49/40/536404940.db2.gz RSLQMZVUHQRPLG-INIZCTEOSA-N 2 1 362.478 0.374 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419517781 536450098 /nfs/dbraw/zinc/45/00/98/536450098.db2.gz XFLCCTNIAKZAIV-UKRRQHHQSA-N 2 1 350.463 0.813 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000423859410 536453459 /nfs/dbraw/zinc/45/34/59/536453459.db2.gz HUNUDRHHVJHDAL-CABCVRRESA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000423859410 536453462 /nfs/dbraw/zinc/45/34/62/536453462.db2.gz HUNUDRHHVJHDAL-CABCVRRESA-N 2 1 363.462 0.517 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419769849 536481115 /nfs/dbraw/zinc/48/11/15/536481115.db2.gz WGOPUQOLCBRWGH-MSOLQXFVSA-N 2 1 374.485 0.199 20 0 FCADMP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000423421703 536656967 /nfs/dbraw/zinc/65/69/67/536656967.db2.gz KCIABQHHELPCNP-APWZRJJASA-N 2 1 361.490 0.334 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419884511 536775274 /nfs/dbraw/zinc/77/52/74/536775274.db2.gz NYUQHXYNDAOYND-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000593729663 546746289 /nfs/dbraw/zinc/74/62/89/546746289.db2.gz HWDWPCUISVZQCN-GRYCIOLGSA-N 2 1 366.384 0.735 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593731322 546746480 /nfs/dbraw/zinc/74/64/80/546746480.db2.gz WIDJUSAIFRJKFS-XQLPTFJDSA-N 2 1 356.467 0.208 20 0 FCADMP COC[C@]1(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800257 546960375 /nfs/dbraw/zinc/96/03/75/546960375.db2.gz AYMWYGDFBCASOR-SJLPKXTDSA-N 2 1 353.511 0.176 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000546574262 547041106 /nfs/dbraw/zinc/04/11/06/547041106.db2.gz MYVUOGJLKIIFSJ-GOSISDBHSA-N 2 1 367.515 0.804 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000546574262 547041108 /nfs/dbraw/zinc/04/11/08/547041108.db2.gz MYVUOGJLKIIFSJ-GOSISDBHSA-N 2 1 367.515 0.804 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000549878001 547072791 /nfs/dbraw/zinc/07/27/91/547072791.db2.gz QJWIKLZPTSXPCH-ZDUSSCGKSA-N 2 1 354.495 0.249 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502466 547089371 /nfs/dbraw/zinc/08/93/71/547089371.db2.gz PCACTTPMZFIIDD-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000550690542 547099165 /nfs/dbraw/zinc/09/91/65/547099165.db2.gz JHDKRCFDBZLTGV-RHSMWYFYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000550690535 547099310 /nfs/dbraw/zinc/09/93/10/547099310.db2.gz JHDKRCFDBZLTGV-PBHICJAKSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550904529 547114732 /nfs/dbraw/zinc/11/47/32/547114732.db2.gz YRBIZWZSMWEPJU-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550904529 547114738 /nfs/dbraw/zinc/11/47/38/547114738.db2.gz YRBIZWZSMWEPJU-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550904529 547114742 /nfs/dbraw/zinc/11/47/42/547114742.db2.gz YRBIZWZSMWEPJU-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550904532 547115046 /nfs/dbraw/zinc/11/50/46/547115046.db2.gz YRBIZWZSMWEPJU-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550904532 547115052 /nfs/dbraw/zinc/11/50/52/547115052.db2.gz YRBIZWZSMWEPJU-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550904532 547115056 /nfs/dbraw/zinc/11/50/56/547115056.db2.gz YRBIZWZSMWEPJU-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000550957731 547116899 /nfs/dbraw/zinc/11/68/99/547116899.db2.gz NJVKSNUCUUMNPC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000550957731 547116903 /nfs/dbraw/zinc/11/69/03/547116903.db2.gz NJVKSNUCUUMNPC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000550957731 547116908 /nfs/dbraw/zinc/11/69/08/547116908.db2.gz NJVKSNUCUUMNPC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551138542 547127852 /nfs/dbraw/zinc/12/78/52/547127852.db2.gz ZPGOJCHZFOKBPI-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000551138542 547127857 /nfs/dbraw/zinc/12/78/57/547127857.db2.gz ZPGOJCHZFOKBPI-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000551138542 547127861 /nfs/dbraw/zinc/12/78/61/547127861.db2.gz ZPGOJCHZFOKBPI-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551216970 547135412 /nfs/dbraw/zinc/13/54/12/547135412.db2.gz GNWMGBYSOHQLKL-YJBOKZPZSA-N 2 1 370.563 0.873 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000551217973 547135863 /nfs/dbraw/zinc/13/58/63/547135863.db2.gz ZSNXHMGDHVUYPJ-VKJFTORMSA-N 2 1 370.563 0.777 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551216968 547136009 /nfs/dbraw/zinc/13/60/09/547136009.db2.gz GNWMGBYSOHQLKL-MAUKXSAKSA-N 2 1 370.563 0.873 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551499699 547149048 /nfs/dbraw/zinc/14/90/48/547149048.db2.gz VWUIBRUBJBCXFA-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551499699 547149053 /nfs/dbraw/zinc/14/90/53/547149053.db2.gz VWUIBRUBJBCXFA-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551499699 547149055 /nfs/dbraw/zinc/14/90/55/547149055.db2.gz VWUIBRUBJBCXFA-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000552191116 547194438 /nfs/dbraw/zinc/19/44/38/547194438.db2.gz SZKUIYRJMMNOEA-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000552474704 547212297 /nfs/dbraw/zinc/21/22/97/547212297.db2.gz WCACHVFYBDSGPN-CYBMUJFWSA-N 2 1 368.503 0.585 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000552851872 547235881 /nfs/dbraw/zinc/23/58/81/547235881.db2.gz WFEMYIODBORULR-WMLDXEAASA-N 2 1 350.507 0.966 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000552856636 547236205 /nfs/dbraw/zinc/23/62/05/547236205.db2.gz NHCUWCKDBGFVEE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000553359649 547272431 /nfs/dbraw/zinc/27/24/31/547272431.db2.gz AVGCIQKASYZMBA-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553359649 547272433 /nfs/dbraw/zinc/27/24/33/547272433.db2.gz AVGCIQKASYZMBA-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000553359649 547272435 /nfs/dbraw/zinc/27/24/35/547272435.db2.gz AVGCIQKASYZMBA-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C[C@@H]1C ZINC000553372645 547273743 /nfs/dbraw/zinc/27/37/43/547273743.db2.gz ZSLMOJFKGPHFSS-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@@H]1C ZINC000553372645 547273746 /nfs/dbraw/zinc/27/37/46/547273746.db2.gz ZSLMOJFKGPHFSS-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@@H]1C ZINC000553372645 547273749 /nfs/dbraw/zinc/27/37/49/547273749.db2.gz ZSLMOJFKGPHFSS-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CC[NH+](C)CC1)C2 ZINC000553600002 547293417 /nfs/dbraw/zinc/29/34/17/547293417.db2.gz OQDYQZVQZSHFRR-MQVJKMGUSA-N 2 1 351.495 0.463 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654372477 547322076 /nfs/dbraw/zinc/32/20/76/547322076.db2.gz KWMOMKAGGHDACK-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654372477 547322079 /nfs/dbraw/zinc/32/20/79/547322079.db2.gz KWMOMKAGGHDACK-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000948962688 674391144 /nfs/dbraw/zinc/39/11/44/674391144.db2.gz SLLIYZBAKLDGIB-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000948962688 674391146 /nfs/dbraw/zinc/39/11/46/674391146.db2.gz SLLIYZBAKLDGIB-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000948962688 674391148 /nfs/dbraw/zinc/39/11/48/674391148.db2.gz SLLIYZBAKLDGIB-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCCCC1 ZINC000736757847 598518833 /nfs/dbraw/zinc/51/88/33/598518833.db2.gz XKISCIWXEXOXRX-CYBMUJFWSA-N 2 1 359.482 0.959 20 0 FCADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838774 598761426 /nfs/dbraw/zinc/76/14/26/598761426.db2.gz MTUDJCUGRUETIG-PHIMTYICSA-N 2 1 361.837 1.000 20 0 FCADMP C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736859206 599355781 /nfs/dbraw/zinc/35/57/81/599355781.db2.gz XMDHLDOTIMFGOD-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000736859206 599355784 /nfs/dbraw/zinc/35/57/84/599355784.db2.gz XMDHLDOTIMFGOD-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736859206 599355786 /nfs/dbraw/zinc/35/57/86/599355786.db2.gz XMDHLDOTIMFGOD-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000956323582 674521239 /nfs/dbraw/zinc/52/12/39/674521239.db2.gz VTTFCCOZCCSPPV-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000956323582 674521240 /nfs/dbraw/zinc/52/12/40/674521240.db2.gz VTTFCCOZCCSPPV-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000956323582 674521242 /nfs/dbraw/zinc/52/12/42/674521242.db2.gz VTTFCCOZCCSPPV-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000897576502 665737725 /nfs/dbraw/zinc/73/77/25/665737725.db2.gz KJUUFFJRVDMSID-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000897576502 665737726 /nfs/dbraw/zinc/73/77/26/665737726.db2.gz KJUUFFJRVDMSID-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000897576502 665737728 /nfs/dbraw/zinc/73/77/28/665737728.db2.gz KJUUFFJRVDMSID-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC1(C)[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000898207258 665806860 /nfs/dbraw/zinc/80/68/60/665806860.db2.gz HCMDQCKTJIHZCW-SJORKVTESA-N 2 1 351.491 0.713 20 0 FCADMP CC1(C)[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000898207256 665806901 /nfs/dbraw/zinc/80/69/01/665806901.db2.gz HCMDQCKTJIHZCW-IAGOWNOFSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000990002500 665837019 /nfs/dbraw/zinc/83/70/19/665837019.db2.gz TYNXYCUTFHUSDG-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000990002500 665837023 /nfs/dbraw/zinc/83/70/23/665837023.db2.gz TYNXYCUTFHUSDG-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000990002500 665837025 /nfs/dbraw/zinc/83/70/25/665837025.db2.gz TYNXYCUTFHUSDG-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891356243 663358274 /nfs/dbraw/zinc/35/82/74/663358274.db2.gz HMBQHHGUGBEEGT-HNNXBMFYSA-N 2 1 361.481 0.948 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)CC[N@H+]1C ZINC001022103905 663404745 /nfs/dbraw/zinc/40/47/45/663404745.db2.gz OQQJUGQSVDDXJT-DMRKSPOLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000891482587 663409010 /nfs/dbraw/zinc/40/90/10/663409010.db2.gz KITJWWOCWKTFMK-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000933848410 663444597 /nfs/dbraw/zinc/44/45/97/663444597.db2.gz TUUDTELVRWXDCU-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP COCCC1(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]CC1 ZINC000891881018 663445996 /nfs/dbraw/zinc/44/59/96/663445996.db2.gz SGDCAGLJSJSPKY-UHFFFAOYSA-N 2 1 355.527 0.470 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892041749 663469829 /nfs/dbraw/zinc/46/98/29/663469829.db2.gz VBTOOPHXXKLSCF-SJORKVTESA-N 2 1 355.527 0.600 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892080517 663474063 /nfs/dbraw/zinc/47/40/63/663474063.db2.gz ZDUHKPPYNSOWOK-ZACQAIPSSA-N 2 1 353.511 0.080 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000892250843 663499997 /nfs/dbraw/zinc/49/99/97/663499997.db2.gz OHMACSFBWGWQBL-INIZCTEOSA-N 2 1 353.511 0.354 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCC2CC2)CCO3)O1 ZINC000972431575 663533042 /nfs/dbraw/zinc/53/30/42/663533042.db2.gz RJVIBULEYSTOQF-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCC2CC2)CCO3)O1 ZINC000972431575 663533045 /nfs/dbraw/zinc/53/30/45/663533045.db2.gz RJVIBULEYSTOQF-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCC2CC2)CCO3)O1 ZINC000972431575 663533049 /nfs/dbraw/zinc/53/30/49/663533049.db2.gz RJVIBULEYSTOQF-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCC2CC2)CCO3)O1 ZINC000972431575 663533052 /nfs/dbraw/zinc/53/30/52/663533052.db2.gz RJVIBULEYSTOQF-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001023377775 663620318 /nfs/dbraw/zinc/62/03/18/663620318.db2.gz WDEGEPRKVOUYFB-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001023377775 663620319 /nfs/dbraw/zinc/62/03/19/663620319.db2.gz WDEGEPRKVOUYFB-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001023377775 663620320 /nfs/dbraw/zinc/62/03/20/663620320.db2.gz WDEGEPRKVOUYFB-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[NH2+]C1 ZINC000892384810 663797785 /nfs/dbraw/zinc/79/77/85/663797785.db2.gz PLCDCQHHKBTGTP-LSDHHAIUSA-N 2 1 351.495 0.370 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000892481644 663961279 /nfs/dbraw/zinc/96/12/79/663961279.db2.gz RATAVSOBWQEEFR-GJZGRUSLSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)O1 ZINC001024998840 664034178 /nfs/dbraw/zinc/03/41/78/664034178.db2.gz LOQSYNCLUNPPTC-RBSFLKMASA-N 2 1 350.467 0.005 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000892649785 664059168 /nfs/dbraw/zinc/05/91/68/664059168.db2.gz MAJQUUIQTGRGJY-OWCLPIDISA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892649785 664059169 /nfs/dbraw/zinc/05/91/69/664059169.db2.gz MAJQUUIQTGRGJY-OWCLPIDISA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892649785 664059171 /nfs/dbraw/zinc/05/91/71/664059171.db2.gz MAJQUUIQTGRGJY-OWCLPIDISA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000892651518 664059329 /nfs/dbraw/zinc/05/93/29/664059329.db2.gz ZJJYHDAZCMNMEK-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892651518 664059332 /nfs/dbraw/zinc/05/93/32/664059332.db2.gz ZJJYHDAZCMNMEK-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892651518 664059334 /nfs/dbraw/zinc/05/93/34/664059334.db2.gz ZJJYHDAZCMNMEK-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000973330099 664099238 /nfs/dbraw/zinc/09/92/38/664099238.db2.gz DASZFRUPEJUKBI-KLHDSHLOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000892764666 664138992 /nfs/dbraw/zinc/13/89/92/664138992.db2.gz VZUNJVZRRFSWBR-PMPSAXMXSA-N 2 1 354.495 0.242 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CCC[N@H+]1CCCO)C2 ZINC000892879847 664153149 /nfs/dbraw/zinc/15/31/49/664153149.db2.gz VFWGJIYTELKOAJ-GFCCVEGCSA-N 2 1 353.492 0.516 20 0 FCADMP Cc1noc(C[NH2+]C2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)n1 ZINC001026514388 664239475 /nfs/dbraw/zinc/23/94/75/664239475.db2.gz CEFDMKZOWQJYGD-GALLPEHLSA-N 2 1 351.451 0.614 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)C1 ZINC000976698808 664395475 /nfs/dbraw/zinc/39/54/75/664395475.db2.gz DYJOGBPZIFQWQB-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000977803361 664425043 /nfs/dbraw/zinc/42/50/43/664425043.db2.gz ZYBQEITXWMYLDB-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978357256 664435517 /nfs/dbraw/zinc/43/55/17/664435517.db2.gz QVOPWCTVLNSCRQ-CSOUEMRRSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978357256 664435520 /nfs/dbraw/zinc/43/55/20/664435520.db2.gz QVOPWCTVLNSCRQ-CSOUEMRRSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978357256 664435523 /nfs/dbraw/zinc/43/55/23/664435523.db2.gz QVOPWCTVLNSCRQ-CSOUEMRRSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978357256 664435526 /nfs/dbraw/zinc/43/55/26/664435526.db2.gz QVOPWCTVLNSCRQ-CSOUEMRRSA-N 2 1 364.515 0.965 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000978869501 664448379 /nfs/dbraw/zinc/44/83/79/664448379.db2.gz FUNOBQATRRXVDC-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000978869501 664448382 /nfs/dbraw/zinc/44/83/82/664448382.db2.gz FUNOBQATRRXVDC-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000978869501 664448383 /nfs/dbraw/zinc/44/83/83/664448383.db2.gz FUNOBQATRRXVDC-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000978869561 664448486 /nfs/dbraw/zinc/44/84/86/664448486.db2.gz GPUPHQPUUNZWEV-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000978869561 664448490 /nfs/dbraw/zinc/44/84/90/664448490.db2.gz GPUPHQPUUNZWEV-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000978869561 664448494 /nfs/dbraw/zinc/44/84/94/664448494.db2.gz GPUPHQPUUNZWEV-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000980018601 664469009 /nfs/dbraw/zinc/46/90/09/664469009.db2.gz UHNWKRNLOXMNCP-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000980018601 664469010 /nfs/dbraw/zinc/46/90/10/664469010.db2.gz UHNWKRNLOXMNCP-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000980018601 664469011 /nfs/dbraw/zinc/46/90/11/664469011.db2.gz UHNWKRNLOXMNCP-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H](C)C(=O)NC)C3)CC[N@H+]1C ZINC000981778819 664839622 /nfs/dbraw/zinc/83/96/22/664839622.db2.gz RRUIYUQBZQFBGZ-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(=O)NC)C3)CC[NH+]1C ZINC000981778819 664839623 /nfs/dbraw/zinc/83/96/23/664839623.db2.gz RRUIYUQBZQFBGZ-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(=O)NC)C3)CC[NH+]1C ZINC000981778819 664839625 /nfs/dbraw/zinc/83/96/25/664839625.db2.gz RRUIYUQBZQFBGZ-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000982822382 664928659 /nfs/dbraw/zinc/92/86/59/664928659.db2.gz YRYGTKCTYOTQAP-HLLBOEOZSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1nc(C)c(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028629975 664931011 /nfs/dbraw/zinc/93/10/11/664931011.db2.gz VNHYEENKWCOQPO-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028629975 664931012 /nfs/dbraw/zinc/93/10/12/664931012.db2.gz VNHYEENKWCOQPO-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028629975 664931013 /nfs/dbraw/zinc/93/10/13/664931013.db2.gz VNHYEENKWCOQPO-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028629975 664931014 /nfs/dbraw/zinc/93/10/14/664931014.db2.gz VNHYEENKWCOQPO-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000937411911 664979653 /nfs/dbraw/zinc/97/96/53/664979653.db2.gz SCAOYHHWZMDCDM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC000983714334 664985474 /nfs/dbraw/zinc/98/54/74/664985474.db2.gz PXWDVSYZIGFHHR-QUSNUVHPSA-N 2 1 371.547 0.636 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000984012271 665013094 /nfs/dbraw/zinc/01/30/94/665013094.db2.gz FEWPAGKWKYGPAQ-RGCMKSIDSA-N 2 1 352.435 0.387 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000984012271 665013100 /nfs/dbraw/zinc/01/31/00/665013100.db2.gz FEWPAGKWKYGPAQ-RGCMKSIDSA-N 2 1 352.435 0.387 20 0 FCADMP CCn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012353 665013240 /nfs/dbraw/zinc/01/32/40/665013240.db2.gz FPIJARAGNJYPDH-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP CCn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012353 665013243 /nfs/dbraw/zinc/01/32/43/665013243.db2.gz FPIJARAGNJYPDH-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@H]2C1 ZINC000895297224 665036324 /nfs/dbraw/zinc/03/63/24/665036324.db2.gz ALLVFUCNUKNTRW-CVEARBPZSA-N 2 1 352.479 0.213 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@H]2C1 ZINC000895297224 665036326 /nfs/dbraw/zinc/03/63/26/665036326.db2.gz ALLVFUCNUKNTRW-CVEARBPZSA-N 2 1 352.479 0.213 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000985442813 665167657 /nfs/dbraw/zinc/16/76/57/665167657.db2.gz SKXQFOBQYPLAPD-BFYDXBDKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000985442813 665167658 /nfs/dbraw/zinc/16/76/58/665167658.db2.gz SKXQFOBQYPLAPD-BFYDXBDKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000985442813 665167659 /nfs/dbraw/zinc/16/76/59/665167659.db2.gz SKXQFOBQYPLAPD-BFYDXBDKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001029965871 665219604 /nfs/dbraw/zinc/21/96/04/665219604.db2.gz DCUCYARJJPRVGQ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)[C@@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC001029965871 665219605 /nfs/dbraw/zinc/21/96/05/665219605.db2.gz DCUCYARJJPRVGQ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)[C@@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC001029965871 665219606 /nfs/dbraw/zinc/21/96/06/665219606.db2.gz DCUCYARJJPRVGQ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000897443592 665288535 /nfs/dbraw/zinc/28/85/35/665288535.db2.gz XSIPOLXEGWSASG-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000897443592 665288537 /nfs/dbraw/zinc/28/85/37/665288537.db2.gz XSIPOLXEGWSASG-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000897443592 665288538 /nfs/dbraw/zinc/28/85/38/665288538.db2.gz XSIPOLXEGWSASG-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988838582 665320036 /nfs/dbraw/zinc/32/00/36/665320036.db2.gz LIFCCQJFFOEONK-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905090372 666004028 /nfs/dbraw/zinc/00/40/28/666004028.db2.gz SGFSOQZXAMCULN-IAGOWNOFSA-N 2 1 355.523 0.965 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905090372 666004030 /nfs/dbraw/zinc/00/40/30/666004030.db2.gz SGFSOQZXAMCULN-IAGOWNOFSA-N 2 1 355.523 0.965 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905104357 666005238 /nfs/dbraw/zinc/00/52/38/666005238.db2.gz FCPLWIJKNONNMZ-QGZVFWFLSA-N 2 1 355.523 0.965 20 0 FCADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000906412089 666052878 /nfs/dbraw/zinc/05/28/78/666052878.db2.gz RTZBCDFYKAGOFZ-JZXOWHBKSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2CN(C)CC[NH+](C)C2)C[C@H](C)O1 ZINC000906412089 666052881 /nfs/dbraw/zinc/05/28/81/666052881.db2.gz RTZBCDFYKAGOFZ-JZXOWHBKSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2CN(C)CC[NH+](C)C2)C[C@H](C)O1 ZINC000906412089 666052884 /nfs/dbraw/zinc/05/28/84/666052884.db2.gz RTZBCDFYKAGOFZ-JZXOWHBKSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000906412089 666052886 /nfs/dbraw/zinc/05/28/86/666052886.db2.gz RTZBCDFYKAGOFZ-JZXOWHBKSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000906412089 666052888 /nfs/dbraw/zinc/05/28/88/666052888.db2.gz RTZBCDFYKAGOFZ-JZXOWHBKSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000908541718 666211424 /nfs/dbraw/zinc/21/14/24/666211424.db2.gz VMJADBIPCLBXOG-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000908541718 666211427 /nfs/dbraw/zinc/21/14/27/666211427.db2.gz VMJADBIPCLBXOG-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000908541718 666211430 /nfs/dbraw/zinc/21/14/30/666211430.db2.gz VMJADBIPCLBXOG-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419160298 674726732 /nfs/dbraw/zinc/72/67/32/674726732.db2.gz YWSHGQKLZSYKKH-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CC(C)C)C1 ZINC000910893842 666289352 /nfs/dbraw/zinc/28/93/52/666289352.db2.gz SMEIXIIYRMDBLV-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000910893842 666289356 /nfs/dbraw/zinc/28/93/56/666289356.db2.gz SMEIXIIYRMDBLV-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000910893842 666289358 /nfs/dbraw/zinc/28/93/58/666289358.db2.gz SMEIXIIYRMDBLV-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000910893842 666289360 /nfs/dbraw/zinc/28/93/60/666289360.db2.gz SMEIXIIYRMDBLV-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000910893842 666289362 /nfs/dbraw/zinc/28/93/62/666289362.db2.gz SMEIXIIYRMDBLV-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000911053165 666305719 /nfs/dbraw/zinc/30/57/19/666305719.db2.gz NDSWTMUNBGAZTD-KFWWJZLASA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000911053168 666305770 /nfs/dbraw/zinc/30/57/70/666305770.db2.gz NDSWTMUNBGAZTD-ZNMIVQPWSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000911053168 666305772 /nfs/dbraw/zinc/30/57/72/666305772.db2.gz NDSWTMUNBGAZTD-ZNMIVQPWSA-N 2 1 354.495 0.188 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911034505 666307373 /nfs/dbraw/zinc/30/73/73/666307373.db2.gz OJSIUGKVGJLSJY-KLHDSHLOSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911844198 666375010 /nfs/dbraw/zinc/37/50/10/666375010.db2.gz ROWPEMWNPLRVMU-HOTGVXAUSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159616 666382779 /nfs/dbraw/zinc/38/27/79/666382779.db2.gz YSNKZYRFRVLZGY-INIZCTEOSA-N 2 1 369.579 0.912 20 0 FCADMP C[NH+](C)CCNC(=S)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000044229875 666443591 /nfs/dbraw/zinc/44/35/91/666443591.db2.gz NOWDLECZFORKTL-UHFFFAOYSA-N 2 1 350.536 0.749 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C(=O)NCC3(C)C)CC2)CC1 ZINC000912642018 666463788 /nfs/dbraw/zinc/46/37/88/666463788.db2.gz VIBXMBPMIYAAIJ-INIZCTEOSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000991429505 666504514 /nfs/dbraw/zinc/50/45/14/666504514.db2.gz NXIZKWQZGNMCSN-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000991429505 666504516 /nfs/dbraw/zinc/50/45/16/666504516.db2.gz NXIZKWQZGNMCSN-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000991429505 666504517 /nfs/dbraw/zinc/50/45/17/666504517.db2.gz NXIZKWQZGNMCSN-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000913330693 666522012 /nfs/dbraw/zinc/52/20/12/666522012.db2.gz IBOWIYDSFQIBQV-LJQANCHMSA-N 2 1 353.507 0.937 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940297024 666545053 /nfs/dbraw/zinc/54/50/53/666545053.db2.gz ABJFHHSYYOXXNT-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000941216522 666593621 /nfs/dbraw/zinc/59/36/21/666593621.db2.gz QZSZWWCRIXUBIC-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000941995140 666691923 /nfs/dbraw/zinc/69/19/23/666691923.db2.gz VJNFBUGVHBPYDV-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccsc1 ZINC000419405487 674761048 /nfs/dbraw/zinc/76/10/48/674761048.db2.gz HQWUWMUXTQXYQS-WMLDXEAASA-N 2 1 350.488 0.822 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731490732 666822814 /nfs/dbraw/zinc/82/28/14/666822814.db2.gz RTHCGTBJHUFLRI-INIZCTEOSA-N 2 1 369.579 0.878 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447951703 666825874 /nfs/dbraw/zinc/82/58/74/666825874.db2.gz NMVHNSWMEPDNPC-JKSUJKDBSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447951703 666825878 /nfs/dbraw/zinc/82/58/78/666825878.db2.gz NMVHNSWMEPDNPC-JKSUJKDBSA-N 2 1 352.479 0.086 20 0 FCADMP Cc1n[nH]cc1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000732218843 666862326 /nfs/dbraw/zinc/86/23/26/666862326.db2.gz OMGZKFALPLDCDG-UHFFFAOYSA-N 2 1 364.475 0.604 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000996604902 666945973 /nfs/dbraw/zinc/94/59/73/666945973.db2.gz XGALGMCQLNLCBG-RRFJBIMHSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996610091 666947872 /nfs/dbraw/zinc/94/78/72/666947872.db2.gz YCZCCQNAKBCDEQ-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCn3cc(Cl)cn3)CC2)O1 ZINC000996717751 666966616 /nfs/dbraw/zinc/96/66/16/666966616.db2.gz MNJLJDFFFPKGSB-CZUORRHYSA-N 2 1 369.897 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCn3cc(Cl)cn3)CC2)O1 ZINC000996717751 666966617 /nfs/dbraw/zinc/96/66/17/666966617.db2.gz MNJLJDFFFPKGSB-CZUORRHYSA-N 2 1 369.897 0.836 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000186397517 667205920 /nfs/dbraw/zinc/20/59/20/667205920.db2.gz WEPPYGYRIYKVKZ-CABCVRRESA-N 2 1 354.495 0.996 20 0 FCADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000998983521 667224773 /nfs/dbraw/zinc/22/47/73/667224773.db2.gz NFMVLJPBGIVACK-XZNOPERXSA-N 2 1 352.435 0.481 20 0 FCADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000998983521 667224781 /nfs/dbraw/zinc/22/47/81/667224781.db2.gz NFMVLJPBGIVACK-XZNOPERXSA-N 2 1 352.435 0.481 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002248315 667526673 /nfs/dbraw/zinc/52/66/73/667526673.db2.gz OUUDOVGASALGOU-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002248315 667526678 /nfs/dbraw/zinc/52/66/78/667526678.db2.gz OUUDOVGASALGOU-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002248315 667526683 /nfs/dbraw/zinc/52/66/83/667526683.db2.gz OUUDOVGASALGOU-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001002258463 667528632 /nfs/dbraw/zinc/52/86/32/667528632.db2.gz OFFOXAXXEARSBD-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC001003043487 667594208 /nfs/dbraw/zinc/59/42/08/667594208.db2.gz NEWNQRMSVKITRA-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC001003043487 667594210 /nfs/dbraw/zinc/59/42/10/667594210.db2.gz NEWNQRMSVKITRA-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001003043487 667594213 /nfs/dbraw/zinc/59/42/13/667594213.db2.gz NEWNQRMSVKITRA-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@H](C)C(N)=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946597774 667677311 /nfs/dbraw/zinc/67/73/11/667677311.db2.gz JTKDOGMUNXHRGO-UHDSXZAQSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597774 667677314 /nfs/dbraw/zinc/67/73/14/667677314.db2.gz JTKDOGMUNXHRGO-UHDSXZAQSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597774 667677315 /nfs/dbraw/zinc/67/73/15/667677315.db2.gz JTKDOGMUNXHRGO-UHDSXZAQSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(Cc3cncc(F)c3)C2)O1 ZINC001033186702 667713647 /nfs/dbraw/zinc/71/36/47/667713647.db2.gz YKUFHIPEWOBNTM-XOKHGSTOSA-N 2 1 350.438 0.973 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(Cc3cncc(F)c3)C2)O1 ZINC001033186702 667713651 /nfs/dbraw/zinc/71/36/51/667713651.db2.gz YKUFHIPEWOBNTM-XOKHGSTOSA-N 2 1 350.438 0.973 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001033835319 667738991 /nfs/dbraw/zinc/73/89/91/667738991.db2.gz XVTCKFAZAMUKIP-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001033835319 667738994 /nfs/dbraw/zinc/73/89/94/667738994.db2.gz XVTCKFAZAMUKIP-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001033835319 667738996 /nfs/dbraw/zinc/73/89/96/667738996.db2.gz XVTCKFAZAMUKIP-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001033835319 667738999 /nfs/dbraw/zinc/73/89/99/667738999.db2.gz XVTCKFAZAMUKIP-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001005408488 667739983 /nfs/dbraw/zinc/73/99/83/667739983.db2.gz ZSCKJKZUPHHJFG-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001005414330 667740451 /nfs/dbraw/zinc/74/04/51/667740451.db2.gz FMPFNFLYRIDQPO-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001034216985 667749960 /nfs/dbraw/zinc/74/99/60/667749960.db2.gz MUDORVGKKHIGPZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001034216985 667749964 /nfs/dbraw/zinc/74/99/64/667749964.db2.gz MUDORVGKKHIGPZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001034216985 667749967 /nfs/dbraw/zinc/74/99/67/667749967.db2.gz MUDORVGKKHIGPZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001034216985 667749970 /nfs/dbraw/zinc/74/99/70/667749970.db2.gz MUDORVGKKHIGPZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186463 667775322 /nfs/dbraw/zinc/77/53/22/667775322.db2.gz CYUCGXZHYGFTCQ-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186463 667775324 /nfs/dbraw/zinc/77/53/24/667775324.db2.gz CYUCGXZHYGFTCQ-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186463 667775328 /nfs/dbraw/zinc/77/53/28/667775328.db2.gz CYUCGXZHYGFTCQ-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nnc[nH]1 ZINC000923141936 667808466 /nfs/dbraw/zinc/80/84/66/667808466.db2.gz FYFJCZSTWSDHEW-HNNXBMFYSA-N 2 1 351.499 0.795 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nc[nH]n1 ZINC000923141936 667808468 /nfs/dbraw/zinc/80/84/68/667808468.db2.gz FYFJCZSTWSDHEW-HNNXBMFYSA-N 2 1 351.499 0.795 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nc[nH]n1 ZINC000923141936 667808469 /nfs/dbraw/zinc/80/84/69/667808469.db2.gz FYFJCZSTWSDHEW-HNNXBMFYSA-N 2 1 351.499 0.795 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923346253 667827294 /nfs/dbraw/zinc/82/72/94/667827294.db2.gz QOXQYDFIJSRMJT-HOTGVXAUSA-N 2 1 353.438 0.885 20 0 FCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000923481804 667839887 /nfs/dbraw/zinc/83/98/87/667839887.db2.gz LXUJWNLPQBRWLN-QGZVFWFLSA-N 3 1 352.523 0.808 20 0 FCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000923481804 667839895 /nfs/dbraw/zinc/83/98/95/667839895.db2.gz LXUJWNLPQBRWLN-QGZVFWFLSA-N 3 1 352.523 0.808 20 0 FCADMP C[C@@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923481830 667840043 /nfs/dbraw/zinc/84/00/43/667840043.db2.gz MKOSMOAKYOCZSP-ZIAGYGMSSA-N 2 1 350.438 0.790 20 0 FCADMP COc1ccccc1[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000923579252 667851266 /nfs/dbraw/zinc/85/12/66/667851266.db2.gz PALASMQZBATSGB-MRXNPFEDSA-N 2 1 368.503 0.572 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760491106 667851497 /nfs/dbraw/zinc/85/14/97/667851497.db2.gz LLIROWHTOOZXAB-CQSZACIVSA-N 2 1 356.536 0.772 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006179189 667856416 /nfs/dbraw/zinc/85/64/16/667856416.db2.gz CIWMEMHDUMOAKW-CKEIUWERSA-N 2 1 350.507 0.632 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000763034726 667941218 /nfs/dbraw/zinc/94/12/18/667941218.db2.gz YYUVLOHRBRKZLH-HUUCEWRRSA-N 2 1 352.483 0.206 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000764500905 667985404 /nfs/dbraw/zinc/98/54/04/667985404.db2.gz ASJHCROHMNHUEL-JKSUJKDBSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000764500905 667985406 /nfs/dbraw/zinc/98/54/06/667985406.db2.gz ASJHCROHMNHUEL-JKSUJKDBSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000764500905 667985408 /nfs/dbraw/zinc/98/54/08/667985408.db2.gz ASJHCROHMNHUEL-JKSUJKDBSA-N 2 1 367.563 0.584 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000774563321 668159779 /nfs/dbraw/zinc/15/97/79/668159779.db2.gz DREKYMRZOFBAED-HUUCEWRRSA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000774563321 668159781 /nfs/dbraw/zinc/15/97/81/668159781.db2.gz DREKYMRZOFBAED-HUUCEWRRSA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000774563321 668159783 /nfs/dbraw/zinc/15/97/83/668159783.db2.gz DREKYMRZOFBAED-HUUCEWRRSA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000774563321 668159785 /nfs/dbraw/zinc/15/97/85/668159785.db2.gz DREKYMRZOFBAED-HUUCEWRRSA-N 2 1 356.536 0.914 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000788609841 668834657 /nfs/dbraw/zinc/83/46/57/668834657.db2.gz HXGPQMPDJMKJRN-HZPDHXFCSA-N 2 1 353.488 0.890 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000793694843 668941153 /nfs/dbraw/zinc/94/11/53/668941153.db2.gz BUHWFWAUYLEEML-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701377 668942815 /nfs/dbraw/zinc/94/28/15/668942815.db2.gz PYGVQOJPNMOIEB-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701379 668943024 /nfs/dbraw/zinc/94/30/24/668943024.db2.gz PYGVQOJPNMOIEB-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000829029371 669680461 /nfs/dbraw/zinc/68/04/61/669680461.db2.gz KWSYUIALZSSKHW-QGZVFWFLSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000834698389 669970581 /nfs/dbraw/zinc/97/05/81/669970581.db2.gz DITZLNOJZGKOSW-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000834698389 669970584 /nfs/dbraw/zinc/97/05/84/669970584.db2.gz DITZLNOJZGKOSW-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000834698389 669970585 /nfs/dbraw/zinc/97/05/85/669970585.db2.gz DITZLNOJZGKOSW-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000834698389 669970588 /nfs/dbraw/zinc/97/05/88/669970588.db2.gz DITZLNOJZGKOSW-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842050203 670630439 /nfs/dbraw/zinc/63/04/39/670630439.db2.gz PZRLSIYRVVUSRY-CYJAXWMASA-N 2 1 350.507 0.824 20 0 FCADMP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000843071689 670773326 /nfs/dbraw/zinc/77/33/26/670773326.db2.gz BWLMFBLLYBWSHH-AEFFLSMTSA-N 2 1 370.515 0.950 20 0 FCADMP C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843353613 670803959 /nfs/dbraw/zinc/80/39/59/670803959.db2.gz FLYWHRHVAIPYBG-UHFFFAOYSA-N 2 1 368.503 0.194 20 0 FCADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCCN1CCCCCC1=O ZINC000843363776 670807269 /nfs/dbraw/zinc/80/72/69/670807269.db2.gz QCFCLSYQVADVTH-UHFFFAOYSA-N 2 1 350.507 0.971 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)NC(=O)N[C@H]1C ZINC000843388679 670811672 /nfs/dbraw/zinc/81/16/72/670811672.db2.gz WEXBEKGZTNNTBP-MJBXVCDLSA-N 2 1 350.463 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000967850310 675164167 /nfs/dbraw/zinc/16/41/67/675164167.db2.gz SKQPAPLUGHJVHX-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000967850310 675164168 /nfs/dbraw/zinc/16/41/68/675164168.db2.gz SKQPAPLUGHJVHX-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000967850310 675164170 /nfs/dbraw/zinc/16/41/70/675164170.db2.gz SKQPAPLUGHJVHX-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000968008556 675176839 /nfs/dbraw/zinc/17/68/39/675176839.db2.gz FESDFWLWLUZHMW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000968008556 675176841 /nfs/dbraw/zinc/17/68/41/675176841.db2.gz FESDFWLWLUZHMW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000968008556 675176843 /nfs/dbraw/zinc/17/68/43/675176843.db2.gz FESDFWLWLUZHMW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000968016309 675178748 /nfs/dbraw/zinc/17/87/48/675178748.db2.gz WZACKDUZHHUGGH-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000968016309 675178750 /nfs/dbraw/zinc/17/87/50/675178750.db2.gz WZACKDUZHHUGGH-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000968016309 675178752 /nfs/dbraw/zinc/17/87/52/675178752.db2.gz WZACKDUZHHUGGH-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000849109142 671318260 /nfs/dbraw/zinc/31/82/60/671318260.db2.gz WFHFHUAUYJKLKG-CQSZACIVSA-N 2 1 353.492 0.741 20 0 FCADMP C[N@H+]1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000849112438 671318697 /nfs/dbraw/zinc/31/86/97/671318697.db2.gz OIRHZQXSXJLTAO-UHFFFAOYSA-N 2 1 356.515 0.651 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2Cl)CC1 ZINC000851627544 671452030 /nfs/dbraw/zinc/45/20/30/671452030.db2.gz YNQYIAWPOZSOEW-UHFFFAOYSA-N 2 1 363.853 0.894 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000852745922 671523322 /nfs/dbraw/zinc/52/33/22/671523322.db2.gz APQDXRSXTVKVPX-OAHLLOKOSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853683339 671554197 /nfs/dbraw/zinc/55/41/97/671554197.db2.gz QUVDIGLQZMBNBA-IXDOHACOSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000853683339 671554198 /nfs/dbraw/zinc/55/41/98/671554198.db2.gz QUVDIGLQZMBNBA-IXDOHACOSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000853683339 671554199 /nfs/dbraw/zinc/55/41/99/671554199.db2.gz QUVDIGLQZMBNBA-IXDOHACOSA-N 2 1 352.479 0.090 20 0 FCADMP CCn1ncn(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1=O ZINC000854628956 671590689 /nfs/dbraw/zinc/59/06/89/671590689.db2.gz XCRLUHWOWUYQAU-UHFFFAOYSA-N 2 1 350.467 0.331 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000856013934 671674106 /nfs/dbraw/zinc/67/41/06/671674106.db2.gz BPWZXLVBSDUIGA-JKSUJKDBSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000856013934 671674107 /nfs/dbraw/zinc/67/41/07/671674107.db2.gz BPWZXLVBSDUIGA-JKSUJKDBSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000856013934 671674108 /nfs/dbraw/zinc/67/41/08/671674108.db2.gz BPWZXLVBSDUIGA-JKSUJKDBSA-N 2 1 354.495 0.851 20 0 FCADMP CC1CCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903562390 675945000 /nfs/dbraw/zinc/94/50/00/675945000.db2.gz LGPMVBFTRVZIEM-CALCHBBNSA-N 2 1 356.536 0.864 20 0 FCADMP CC1CCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903562390 675945001 /nfs/dbraw/zinc/94/50/01/675945001.db2.gz LGPMVBFTRVZIEM-CALCHBBNSA-N 2 1 356.536 0.864 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713422 675962945 /nfs/dbraw/zinc/96/29/45/675962945.db2.gz PWVILTDKTBBZPF-IAGOWNOFSA-N 3 1 350.507 0.289 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713422 675962946 /nfs/dbraw/zinc/96/29/46/675962946.db2.gz PWVILTDKTBBZPF-IAGOWNOFSA-N 2 1 350.507 0.289 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713422 675962949 /nfs/dbraw/zinc/96/29/49/675962949.db2.gz PWVILTDKTBBZPF-IAGOWNOFSA-N 2 1 350.507 0.289 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(=O)n(C)cn1 ZINC000888516163 672050550 /nfs/dbraw/zinc/05/05/50/672050550.db2.gz GLSUZMDYRJXSHR-CQSZACIVSA-N 2 1 350.467 0.660 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937433 672088463 /nfs/dbraw/zinc/08/84/63/672088463.db2.gz FXYCTTIXTCMBOP-KEYYUXOJSA-N 2 1 352.458 0.804 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863551454 672136776 /nfs/dbraw/zinc/13/67/76/672136776.db2.gz MYRUBLRGYPMFTK-INIZCTEOSA-N 2 1 356.511 0.585 20 0 FCADMP COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055485794 676021331 /nfs/dbraw/zinc/02/13/31/676021331.db2.gz LABBDBQTFGHXKK-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC3CC3)CC2)CC[N@H+]1C ZINC001055494818 676021341 /nfs/dbraw/zinc/02/13/41/676021341.db2.gz XEOCVNLIEMKPPS-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578194 676024897 /nfs/dbraw/zinc/02/48/97/676024897.db2.gz HNZYRDWHGSVJGU-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141326 672594054 /nfs/dbraw/zinc/59/40/54/672594054.db2.gz FSVKCSYDMPVVMW-IAGOWNOFSA-N 2 1 351.491 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056426729 676045695 /nfs/dbraw/zinc/04/56/95/676045695.db2.gz LGVIZALQEWQPKP-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001001420297 676071602 /nfs/dbraw/zinc/07/16/02/676071602.db2.gz GGHOCPFQQRBJJJ-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP COC[C@]1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]CCO1 ZINC000876557422 672963547 /nfs/dbraw/zinc/96/35/47/672963547.db2.gz WPVDTOZLEIZHMB-SFHVURJKSA-N 2 1 355.479 0.143 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001050330100 676082056 /nfs/dbraw/zinc/08/20/56/676082056.db2.gz YTIFGHZXUBWXJP-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877020125 672994046 /nfs/dbraw/zinc/99/40/46/672994046.db2.gz LTYVOLSKOGPVMN-UHFFFAOYSA-N 2 1 354.520 0.697 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923654730 672997020 /nfs/dbraw/zinc/99/70/20/672997020.db2.gz KWPUCJTZDWFGRN-QGZVFWFLSA-N 2 1 352.504 0.385 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878589146 673067706 /nfs/dbraw/zinc/06/77/06/673067706.db2.gz FRGVPPPBQCYRFS-INIZCTEOSA-N 2 1 374.551 0.287 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)c(C)o1 ZINC001051624978 676107206 /nfs/dbraw/zinc/10/72/06/676107206.db2.gz WWABTMGBNXFJDF-UHOFOFEASA-N 2 1 350.463 0.949 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCOC)CC3)C2)CC[N@H+]1C ZINC001052030999 676112978 /nfs/dbraw/zinc/11/29/78/676112978.db2.gz AWLLSNLUDYSKIJ-OKZBNKHCSA-N 2 1 352.523 0.582 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)c(C)o1 ZINC001051624978 676107208 /nfs/dbraw/zinc/10/72/08/676107208.db2.gz WWABTMGBNXFJDF-UHOFOFEASA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001052393038 676122936 /nfs/dbraw/zinc/12/29/36/676122936.db2.gz DIVHJFAGMUTMGY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCCC3=O)CC2)CC[NH+]1C ZINC001052393038 676122937 /nfs/dbraw/zinc/12/29/37/676122937.db2.gz DIVHJFAGMUTMGY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)CC2)CC[NH+]1C ZINC001052393038 676122938 /nfs/dbraw/zinc/12/29/38/676122938.db2.gz DIVHJFAGMUTMGY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC000882493457 673316019 /nfs/dbraw/zinc/31/60/19/673316019.db2.gz HRNRASFTRSIOBU-ZYGGUILKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC000882493457 673316022 /nfs/dbraw/zinc/31/60/22/673316022.db2.gz HRNRASFTRSIOBU-ZYGGUILKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000882493457 673316025 /nfs/dbraw/zinc/31/60/25/673316025.db2.gz HRNRASFTRSIOBU-ZYGGUILKSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436598 673375436 /nfs/dbraw/zinc/37/54/36/673375436.db2.gz XCMQAIWEUPHEGV-IAGOWNOFSA-N 2 1 354.495 0.650 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000883475072 673378337 /nfs/dbraw/zinc/37/83/37/673378337.db2.gz MAZLNNIBHLSPDB-KRWDZBQOSA-N 2 1 368.503 0.570 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000883642207 673387719 /nfs/dbraw/zinc/38/77/19/673387719.db2.gz GYCMUGQRQPLMDD-GHMZBOCLSA-N 2 1 350.385 0.135 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000883642207 673387722 /nfs/dbraw/zinc/38/77/22/673387722.db2.gz GYCMUGQRQPLMDD-GHMZBOCLSA-N 2 1 350.385 0.135 20 0 FCADMP [NH3+][C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413254 673452125 /nfs/dbraw/zinc/45/21/25/673452125.db2.gz NPHHVVWIRZLMSU-GJZGRUSLSA-N 2 1 367.291 0.955 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504057 673457808 /nfs/dbraw/zinc/45/78/08/673457808.db2.gz ZVHSSGNVPITMLO-ZIAGYGMSSA-N 2 1 360.449 0.584 20 0 FCADMP CN(CCCCCC[NH3+])C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000884508256 673458223 /nfs/dbraw/zinc/45/82/23/673458223.db2.gz YYHJVXPYRZQSLQ-UHFFFAOYSA-N 2 1 355.527 0.106 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884576597 673463555 /nfs/dbraw/zinc/46/35/55/673463555.db2.gz LDNMDLSSCVQQNP-JHJVBQTASA-N 2 1 364.412 0.430 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884617169 673466170 /nfs/dbraw/zinc/46/61/70/673466170.db2.gz IYIVTHNCNALDPK-UPJWGTAASA-N 2 1 364.412 0.573 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000884616670 673466377 /nfs/dbraw/zinc/46/63/77/673466377.db2.gz AEWBURPGHDKNTD-CKYFFXLPSA-N 2 1 350.385 0.181 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884787462 673482376 /nfs/dbraw/zinc/48/23/76/673482376.db2.gz SJOTWGCHHHPDCH-WOPDTQHZSA-N 2 1 350.385 0.183 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884837 673488597 /nfs/dbraw/zinc/48/85/97/673488597.db2.gz MCQDQENPABYLDY-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974128 673494952 /nfs/dbraw/zinc/49/49/52/673494952.db2.gz NDQKCNKHESQPJT-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000887607189 673635310 /nfs/dbraw/zinc/63/53/10/673635310.db2.gz YJLBNOGETRGJGO-KBPBESRZSA-N 2 1 351.451 0.644 20 0 FCADMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887921524 673660795 /nfs/dbraw/zinc/66/07/95/673660795.db2.gz LNUXRHUWZAQPBF-SUNYJGFJSA-N 2 1 354.495 0.851 20 0 FCADMP CC1(C)CN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC[N@H+]1CCO ZINC000927637776 673873689 /nfs/dbraw/zinc/87/36/89/673873689.db2.gz VURJCBFRYXZHPE-MRXNPFEDSA-N 2 1 354.495 0.338 20 0 FCADMP CC1(C)CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1CCO ZINC000927637776 673873691 /nfs/dbraw/zinc/87/36/91/673873691.db2.gz VURJCBFRYXZHPE-MRXNPFEDSA-N 2 1 354.495 0.338 20 0 FCADMP CC1(C)CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1CCO ZINC000927637776 673873693 /nfs/dbraw/zinc/87/36/93/673873693.db2.gz VURJCBFRYXZHPE-MRXNPFEDSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927638473 673874094 /nfs/dbraw/zinc/87/40/94/673874094.db2.gz BLMFSEFAHSDWLD-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@@H]1C ZINC000927638473 673874099 /nfs/dbraw/zinc/87/40/99/673874099.db2.gz BLMFSEFAHSDWLD-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@@H]1C ZINC000927638473 673874101 /nfs/dbraw/zinc/87/41/01/673874101.db2.gz BLMFSEFAHSDWLD-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000929465883 673957892 /nfs/dbraw/zinc/95/78/92/673957892.db2.gz ZUZQWWWREQLNML-KRWDZBQOSA-N 2 1 365.503 0.472 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NC2CC2)CC[N@H+]1C ZINC000968866990 675242257 /nfs/dbraw/zinc/24/22/57/675242257.db2.gz PUDYFAKSVCFMLW-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC000968866990 675242260 /nfs/dbraw/zinc/24/22/60/675242260.db2.gz PUDYFAKSVCFMLW-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC000968866990 675242262 /nfs/dbraw/zinc/24/22/62/675242262.db2.gz PUDYFAKSVCFMLW-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC001011209117 675376884 /nfs/dbraw/zinc/37/68/84/675376884.db2.gz HJPQBDQIMUOCKE-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC001011209117 675376887 /nfs/dbraw/zinc/37/68/87/675376887.db2.gz HJPQBDQIMUOCKE-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC001011209117 675376892 /nfs/dbraw/zinc/37/68/92/675376892.db2.gz HJPQBDQIMUOCKE-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC[N@H+]1C ZINC001011210747 675377078 /nfs/dbraw/zinc/37/70/78/675377078.db2.gz NODRTNASTJOWDC-BBWFWOEESA-N 2 1 352.523 0.974 20 0 FCADMP CC(=O)NC1CCC([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001015839972 675399027 /nfs/dbraw/zinc/39/90/27/675399027.db2.gz CMLVPASFSJSKIG-AGERRDQYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001018866247 675417827 /nfs/dbraw/zinc/41/78/27/675417827.db2.gz VFRGUXLPKLLHNU-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001018864991 675417843 /nfs/dbraw/zinc/41/78/43/675417843.db2.gz CTUZLPHRVYZFMG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019032174 675420207 /nfs/dbraw/zinc/42/02/07/675420207.db2.gz KBIYBCHNMNRKSN-QLFBSQMISA-N 2 1 368.503 0.128 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019032174 675420209 /nfs/dbraw/zinc/42/02/09/675420209.db2.gz KBIYBCHNMNRKSN-QLFBSQMISA-N 2 1 368.503 0.128 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)C3CCCCC3)C2)O1 ZINC001020286955 675439353 /nfs/dbraw/zinc/43/93/53/675439353.db2.gz REFJRZNBHZOEKN-JVNHZCFISA-N 2 1 353.507 0.884 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)C3CCCCC3)C2)O1 ZINC001020286955 675439357 /nfs/dbraw/zinc/43/93/57/675439357.db2.gz REFJRZNBHZOEKN-JVNHZCFISA-N 2 1 353.507 0.884 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)CC[N@H+]1C ZINC001020299346 675440151 /nfs/dbraw/zinc/44/01/51/675440151.db2.gz ITJWQNBSLDWDKN-WTTBNOFXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001045444719 675653848 /nfs/dbraw/zinc/65/38/48/675653848.db2.gz GRRJHMOPFZSNPE-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000900713270 675709944 /nfs/dbraw/zinc/70/99/44/675709944.db2.gz DQWUWUAUWXSFHR-OAHLLOKOSA-N 2 1 355.479 0.489 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000900713270 675709946 /nfs/dbraw/zinc/70/99/46/675709946.db2.gz DQWUWUAUWXSFHR-OAHLLOKOSA-N 2 1 355.479 0.489 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000900944097 675733846 /nfs/dbraw/zinc/73/38/46/675733846.db2.gz HITDFFAMTFUVES-RHSMWYFYSA-N 2 1 357.520 0.815 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000900944097 675733847 /nfs/dbraw/zinc/73/38/47/675733847.db2.gz HITDFFAMTFUVES-RHSMWYFYSA-N 2 1 357.520 0.815 20 0 FCADMP CCOC(=O)N1CCC([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801546932 675790933 /nfs/dbraw/zinc/79/09/33/675790933.db2.gz WBBDZPXIAFMHDV-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2O)O1 ZINC001047428394 675799462 /nfs/dbraw/zinc/79/94/62/675799462.db2.gz JGVBGJDLKQVCIH-BSWAZPDLSA-N 2 1 353.507 0.645 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2O)O1 ZINC001047428394 675799463 /nfs/dbraw/zinc/79/94/63/675799463.db2.gz JGVBGJDLKQVCIH-BSWAZPDLSA-N 2 1 353.507 0.645 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)O1 ZINC001047428394 675799465 /nfs/dbraw/zinc/79/94/65/675799465.db2.gz JGVBGJDLKQVCIH-BSWAZPDLSA-N 2 1 353.507 0.645 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)O1 ZINC001047428394 675799467 /nfs/dbraw/zinc/79/94/67/675799467.db2.gz JGVBGJDLKQVCIH-BSWAZPDLSA-N 2 1 353.507 0.645 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528340 675859560 /nfs/dbraw/zinc/85/95/60/675859560.db2.gz UZLGWUQVBFQLAE-XJTKPRQNSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048528340 675859564 /nfs/dbraw/zinc/85/95/64/675859564.db2.gz UZLGWUQVBFQLAE-XJTKPRQNSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528340 675859568 /nfs/dbraw/zinc/85/95/68/675859568.db2.gz UZLGWUQVBFQLAE-XJTKPRQNSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579509 1192193973 /nfs/dbraw/zinc/19/39/73/1192193973.db2.gz LZNMVXYOXWFVSZ-LTIDMASMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579509 1192193977 /nfs/dbraw/zinc/19/39/77/1192193977.db2.gz LZNMVXYOXWFVSZ-LTIDMASMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579509 1192193990 /nfs/dbraw/zinc/19/39/90/1192193990.db2.gz LZNMVXYOXWFVSZ-LTIDMASMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088579509 1192194000 /nfs/dbraw/zinc/19/40/00/1192194000.db2.gz LZNMVXYOXWFVSZ-LTIDMASMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088579509 1192194011 /nfs/dbraw/zinc/19/40/11/1192194011.db2.gz LZNMVXYOXWFVSZ-LTIDMASMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000897497140 1192213434 /nfs/dbraw/zinc/21/34/34/1192213434.db2.gz VUMXMPQPXXEVIF-BPQIPLTHSA-N 2 1 371.485 0.862 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000988496425 1192226481 /nfs/dbraw/zinc/22/64/81/1192226481.db2.gz ISWQUMBELFBAQV-HYVNUMGLSA-N 2 1 361.490 0.943 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042656 1168302953 /nfs/dbraw/zinc/30/29/53/1168302953.db2.gz JXDFHVMBEXTEEF-KURKYZTESA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042656 1168302960 /nfs/dbraw/zinc/30/29/60/1168302960.db2.gz JXDFHVMBEXTEEF-KURKYZTESA-N 2 1 368.485 0.851 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001691769965 1168340074 /nfs/dbraw/zinc/34/00/74/1168340074.db2.gz CKLLAPQXWLYAHC-IJFMQLDHSA-N 2 1 359.898 0.914 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1nccs1 ZINC001691020143 1168406684 /nfs/dbraw/zinc/40/66/84/1168406684.db2.gz ORXNKDBWQYGULC-CHWSQXEVSA-N 2 1 353.492 0.860 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001691019781 1168407042 /nfs/dbraw/zinc/40/70/42/1168407042.db2.gz HPMNELWWULMOOJ-LSDHHAIUSA-N 2 1 352.479 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001691019781 1168407051 /nfs/dbraw/zinc/40/70/51/1168407051.db2.gz HPMNELWWULMOOJ-LSDHHAIUSA-N 2 1 352.479 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001691019781 1168407059 /nfs/dbraw/zinc/40/70/59/1168407059.db2.gz HPMNELWWULMOOJ-LSDHHAIUSA-N 2 1 352.479 0.304 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001719580923 1168436217 /nfs/dbraw/zinc/43/62/17/1168436217.db2.gz NLKIDGOWPBHBHA-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001719580923 1168436219 /nfs/dbraw/zinc/43/62/19/1168436219.db2.gz NLKIDGOWPBHBHA-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001719580923 1168436222 /nfs/dbraw/zinc/43/62/22/1168436222.db2.gz NLKIDGOWPBHBHA-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001021381098 1169186006 /nfs/dbraw/zinc/18/60/06/1169186006.db2.gz AFXACGYJHKAHHL-SLUKUZTOSA-N 2 1 369.473 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104294748 1169690845 /nfs/dbraw/zinc/69/08/45/1169690845.db2.gz ZLYFGGRDVSHNDY-ZIAGYGMSSA-N 2 1 364.494 0.167 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001021635730 1169856313 /nfs/dbraw/zinc/85/63/13/1169856313.db2.gz DXKYDMMFFDMVMM-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000891306360 1169883978 /nfs/dbraw/zinc/88/39/78/1169883978.db2.gz CBBZQMWNLWGMKU-OAHLLOKOSA-N 2 1 362.478 0.689 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000891306360 1169883979 /nfs/dbraw/zinc/88/39/79/1169883979.db2.gz CBBZQMWNLWGMKU-OAHLLOKOSA-N 2 1 362.478 0.689 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021712175 1169913716 /nfs/dbraw/zinc/91/37/16/1169913716.db2.gz JMJOZQZQWIAVHO-OKZBNKHCSA-N 2 1 371.485 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751638 1169980285 /nfs/dbraw/zinc/98/02/85/1169980285.db2.gz KBQGNECLWKCZFR-OKZBNKHCSA-N 2 1 371.485 0.593 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365878 1170074899 /nfs/dbraw/zinc/07/48/99/1170074899.db2.gz QSWBPCZUQKSWKG-MIGQKNRLSA-N 2 1 363.462 0.047 20 0 FCADMP C[NH+]1CCCN(c2nc(NC3CC3)nc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000891438513 1170413526 /nfs/dbraw/zinc/41/35/26/1170413526.db2.gz NJUHFDKIUMHWSR-UHFFFAOYSA-N 2 1 360.510 0.152 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000971568052 1170547749 /nfs/dbraw/zinc/54/77/49/1170547749.db2.gz PVXBQAAPCXNTKW-BRWVUGGUSA-N 2 1 360.502 0.768 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4cnc[nH]4)C[C@H]32)C1 ZINC001022210539 1170747884 /nfs/dbraw/zinc/74/78/84/1170747884.db2.gz CYAKIYHGZVXPNE-YQQAZPJKSA-N 2 1 359.474 0.743 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022211975 1170755699 /nfs/dbraw/zinc/75/56/99/1170755699.db2.gz XKIIAVDQTZSRKM-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1cc(C)n(CC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781949 1170823700 /nfs/dbraw/zinc/82/37/00/1170823700.db2.gz PCIWGBNDMUHFIR-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781949 1170823701 /nfs/dbraw/zinc/82/37/01/1170823701.db2.gz PCIWGBNDMUHFIR-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781949 1170823704 /nfs/dbraw/zinc/82/37/04/1170823704.db2.gz PCIWGBNDMUHFIR-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781949 1170823705 /nfs/dbraw/zinc/82/37/05/1170823705.db2.gz PCIWGBNDMUHFIR-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022313851 1170849282 /nfs/dbraw/zinc/84/92/82/1170849282.db2.gz ZCUIVVBNQNAZCX-HLLBOEOZSA-N 2 1 359.474 0.662 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001691251042 1170889006 /nfs/dbraw/zinc/88/90/06/1170889006.db2.gz JVENTOIYJPXSAG-HYVNUMGLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087177331 1170897606 /nfs/dbraw/zinc/89/76/06/1170897606.db2.gz TZGWFTQBYXKWMQ-PMPSAXMXSA-N 2 1 363.510 0.801 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087177331 1170897607 /nfs/dbraw/zinc/89/76/07/1170897607.db2.gz TZGWFTQBYXKWMQ-PMPSAXMXSA-N 2 1 363.510 0.801 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855623 1170987647 /nfs/dbraw/zinc/98/76/47/1170987647.db2.gz LGHUULIYFFKPRN-IRXDYDNUSA-N 2 1 368.522 0.945 20 0 FCADMP CN1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+](C)CC1 ZINC000891882121 1171040864 /nfs/dbraw/zinc/04/08/64/1171040864.db2.gz NPTNLALTPHKRNG-UHFFFAOYSA-N 2 1 359.518 0.934 20 0 FCADMP CN1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+](C)CC1 ZINC000891882121 1171040874 /nfs/dbraw/zinc/04/08/74/1171040874.db2.gz NPTNLALTPHKRNG-UHFFFAOYSA-N 2 1 359.518 0.934 20 0 FCADMP CN1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+](C)CC1 ZINC000891882121 1171040883 /nfs/dbraw/zinc/04/08/83/1171040883.db2.gz NPTNLALTPHKRNG-UHFFFAOYSA-N 2 1 359.518 0.934 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000891952201 1171209260 /nfs/dbraw/zinc/20/92/60/1171209260.db2.gz FCWFVMBAGRBSSR-MRXNPFEDSA-N 2 1 368.522 0.945 20 0 FCADMP CCOCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691419359 1171287566 /nfs/dbraw/zinc/28/75/66/1171287566.db2.gz ULRAEESPMZWKEP-TZMCWYRMSA-N 2 1 351.451 0.265 20 0 FCADMP CCCNC(=O)[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000065188668 1171349016 /nfs/dbraw/zinc/34/90/16/1171349016.db2.gz TYAHZUUVANOXBF-AWEZNQCLSA-N 2 1 365.478 0.198 20 0 FCADMP CCCNC(=O)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000065188668 1171349027 /nfs/dbraw/zinc/34/90/27/1171349027.db2.gz TYAHZUUVANOXBF-AWEZNQCLSA-N 2 1 365.478 0.198 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891976050 1171379734 /nfs/dbraw/zinc/37/97/34/1171379734.db2.gz IMDXJIYIDKAQGX-KRWDZBQOSA-N 2 1 367.538 0.744 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892100810 1171580697 /nfs/dbraw/zinc/58/06/97/1171580697.db2.gz NITXIXVMMSJCRF-SFHVURJKSA-N 2 1 365.522 0.392 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087205163 1171763610 /nfs/dbraw/zinc/76/36/10/1171763610.db2.gz DIMUMSPPGWOYPL-UGUYLWEFSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087205163 1171763623 /nfs/dbraw/zinc/76/36/23/1171763623.db2.gz DIMUMSPPGWOYPL-UGUYLWEFSA-N 2 1 363.510 0.657 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972142188 1171796439 /nfs/dbraw/zinc/79/64/39/1171796439.db2.gz JJRBXPXLGOTVFL-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972144883 1171799955 /nfs/dbraw/zinc/79/99/55/1171799955.db2.gz UXDIZZZWCLIMRK-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001022746557 1171854734 /nfs/dbraw/zinc/85/47/34/1171854734.db2.gz OFOUYQLXAXBXDG-JFRXWTBNSA-N 2 1 368.485 0.897 20 0 FCADMP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001022746557 1171854735 /nfs/dbraw/zinc/85/47/35/1171854735.db2.gz OFOUYQLXAXBXDG-JFRXWTBNSA-N 2 1 368.485 0.897 20 0 FCADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892266559 1171873707 /nfs/dbraw/zinc/87/37/07/1171873707.db2.gz KDTBGGDECDQQAW-DLBZAZTESA-N 2 1 365.522 0.224 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000972257057 1171891433 /nfs/dbraw/zinc/89/14/33/1171891433.db2.gz KCQFCKQZGDUZPA-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000972257057 1171891434 /nfs/dbraw/zinc/89/14/34/1171891434.db2.gz KCQFCKQZGDUZPA-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104421089 1171931781 /nfs/dbraw/zinc/93/17/81/1171931781.db2.gz AZFUQKRLGZOFHD-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972312811 1171956555 /nfs/dbraw/zinc/95/65/55/1171956555.db2.gz KDIYYVLTPLHBBA-FGTMMUONSA-N 2 1 371.485 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972423196 1172121326 /nfs/dbraw/zinc/12/13/26/1172121326.db2.gz PUVUXVIIYJUSDL-MWQQHZPXSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972423196 1172121341 /nfs/dbraw/zinc/12/13/41/1172121341.db2.gz PUVUXVIIYJUSDL-MWQQHZPXSA-N 2 1 359.474 0.591 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001272134339 1192571210 /nfs/dbraw/zinc/57/12/10/1192571210.db2.gz KEHCETLKXJWWIH-GJZGRUSLSA-N 2 1 358.446 0.369 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001272134339 1192571212 /nfs/dbraw/zinc/57/12/12/1192571212.db2.gz KEHCETLKXJWWIH-GJZGRUSLSA-N 2 1 358.446 0.369 20 0 FCADMP C[N@@H+]1CCN(C(=O)c2ccc(NC(N)=[NH2+])cc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001272134551 1192572653 /nfs/dbraw/zinc/57/26/53/1192572653.db2.gz LGLQTHFCARHCMJ-GOSISDBHSA-N 2 1 358.446 0.418 20 0 FCADMP C[N@H+]1CCN(C(=O)c2ccc(NC(N)=[NH2+])cc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001272134551 1192572657 /nfs/dbraw/zinc/57/26/57/1192572657.db2.gz LGLQTHFCARHCMJ-GOSISDBHSA-N 2 1 358.446 0.418 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3cncn3c2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000988949585 1192585977 /nfs/dbraw/zinc/58/59/77/1192585977.db2.gz ZHAFODJENOAWBW-XOKHGSTOSA-N 2 1 371.441 0.384 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000989026153 1192632129 /nfs/dbraw/zinc/63/21/29/1192632129.db2.gz DRJVYSJDZWSKQT-CVEARBPZSA-N 2 1 359.474 0.926 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000989050346 1192647421 /nfs/dbraw/zinc/64/74/21/1192647421.db2.gz WFHFXJDLLJVSHH-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989050346 1192647426 /nfs/dbraw/zinc/64/74/26/1192647426.db2.gz WFHFXJDLLJVSHH-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989050346 1192647435 /nfs/dbraw/zinc/64/74/35/1192647435.db2.gz WFHFXJDLLJVSHH-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989066396 1192670480 /nfs/dbraw/zinc/67/04/80/1192670480.db2.gz GLJGAVBJTXUYRA-YCPHGPKFSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCN1CCNC1=O ZINC001088620800 1192681427 /nfs/dbraw/zinc/68/14/27/1192681427.db2.gz BXPSRYSLTLILTF-ILXRZTDVSA-N 2 1 360.462 0.365 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCN1CCNC1=O ZINC001088620800 1192681429 /nfs/dbraw/zinc/68/14/29/1192681429.db2.gz BXPSRYSLTLILTF-ILXRZTDVSA-N 2 1 360.462 0.365 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842038416 1192862279 /nfs/dbraw/zinc/86/22/79/1192862279.db2.gz OANCEAVZFNLOQE-QRVBRYPASA-N 2 1 370.497 0.835 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001691570472 1192887006 /nfs/dbraw/zinc/88/70/06/1192887006.db2.gz HASSLRKTZILAAM-MSOLQXFVSA-N 2 1 353.507 0.772 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573438 1192889192 /nfs/dbraw/zinc/88/91/92/1192889192.db2.gz TYTIHMZVCPQGAA-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573438 1192889193 /nfs/dbraw/zinc/88/91/93/1192889193.db2.gz TYTIHMZVCPQGAA-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573438 1192889195 /nfs/dbraw/zinc/88/91/95/1192889195.db2.gz TYTIHMZVCPQGAA-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691574635 1192890043 /nfs/dbraw/zinc/89/00/43/1192890043.db2.gz VDSGSJHSXOFZFU-GVDBMIGSSA-N 2 1 366.506 0.060 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691574635 1192890044 /nfs/dbraw/zinc/89/00/44/1192890044.db2.gz VDSGSJHSXOFZFU-GVDBMIGSSA-N 2 1 366.506 0.060 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211564845 1178861177 /nfs/dbraw/zinc/86/11/77/1178861177.db2.gz AMIFBNVONXYUJO-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211564845 1178861178 /nfs/dbraw/zinc/86/11/78/1178861178.db2.gz AMIFBNVONXYUJO-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001023215360 1179227678 /nfs/dbraw/zinc/22/76/78/1179227678.db2.gz XPWCDAKQKWUMNX-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001112516291 1179495143 /nfs/dbraw/zinc/49/51/43/1179495143.db2.gz CANUYXIVHOIESX-BXWFABGCSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001112516291 1179495159 /nfs/dbraw/zinc/49/51/59/1179495159.db2.gz CANUYXIVHOIESX-BXWFABGCSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444879 1179747913 /nfs/dbraw/zinc/74/79/13/1179747913.db2.gz ZEPDSAZXTAELJL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001023444879 1179747929 /nfs/dbraw/zinc/74/79/29/1179747929.db2.gz ZEPDSAZXTAELJL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444879 1179747937 /nfs/dbraw/zinc/74/79/37/1179747937.db2.gz ZEPDSAZXTAELJL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444879 1179747947 /nfs/dbraw/zinc/74/79/47/1179747947.db2.gz ZEPDSAZXTAELJL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001267325558 1179815872 /nfs/dbraw/zinc/81/58/72/1179815872.db2.gz KGUATXFMJDJFMU-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001267325558 1179815874 /nfs/dbraw/zinc/81/58/74/1179815874.db2.gz KGUATXFMJDJFMU-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001267325558 1179815877 /nfs/dbraw/zinc/81/58/77/1179815877.db2.gz KGUATXFMJDJFMU-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001267325558 1179815885 /nfs/dbraw/zinc/81/58/85/1179815885.db2.gz KGUATXFMJDJFMU-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001087246294 1179977913 /nfs/dbraw/zinc/97/79/13/1179977913.db2.gz IJQFLSUUABVKQE-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001087246294 1179977919 /nfs/dbraw/zinc/97/79/19/1179977919.db2.gz IJQFLSUUABVKQE-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023690822 1180111677 /nfs/dbraw/zinc/11/16/77/1180111677.db2.gz WJISEACDBCSUTK-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21)C1CC1 ZINC000972648299 1180185508 /nfs/dbraw/zinc/18/55/08/1180185508.db2.gz FWHMCCOBPUSZKL-SUMDDJOVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001023993433 1180730157 /nfs/dbraw/zinc/73/01/57/1180730157.db2.gz FUMPQZJJDSCGEW-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024037825 1180804979 /nfs/dbraw/zinc/80/49/79/1180804979.db2.gz BVLADULMTNINSD-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024037825 1180804981 /nfs/dbraw/zinc/80/49/81/1180804981.db2.gz BVLADULMTNINSD-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024037827 1180805488 /nfs/dbraw/zinc/80/54/88/1180805488.db2.gz BXOOSAZKVHHGLF-QGPMSJSTSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024037827 1180805491 /nfs/dbraw/zinc/80/54/91/1180805491.db2.gz BXOOSAZKVHHGLF-QGPMSJSTSA-N 2 1 363.506 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001024448387 1181181341 /nfs/dbraw/zinc/18/13/41/1181181341.db2.gz LNWFOVBHLWJUFM-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024448387 1181181344 /nfs/dbraw/zinc/18/13/44/1181181344.db2.gz LNWFOVBHLWJUFM-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024448387 1181181346 /nfs/dbraw/zinc/18/13/46/1181181346.db2.gz LNWFOVBHLWJUFM-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001024499757 1181249519 /nfs/dbraw/zinc/24/95/19/1181249519.db2.gz VRQNJOWGTKWYDF-BRWVUGGUSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024649979 1181436616 /nfs/dbraw/zinc/43/66/16/1181436616.db2.gz JJFDYIWHCYDJDO-IXDOHACOSA-N 2 1 371.441 0.120 20 0 FCADMP COc1ccc(CCNC(=[NH2+])NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000066246045 1181605412 /nfs/dbraw/zinc/60/54/12/1181605412.db2.gz FIBNTFNJDNDCTP-INIZCTEOSA-N 2 1 361.490 0.939 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CCC1 ZINC001024861400 1181700837 /nfs/dbraw/zinc/70/08/37/1181700837.db2.gz FFHPZNLLECBDRX-IAGOWNOFSA-N 2 1 371.441 0.120 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892518854 1181708577 /nfs/dbraw/zinc/70/85/77/1181708577.db2.gz BHVCTQWVKMVHGT-INIZCTEOSA-N 2 1 357.462 0.962 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CCC1 ZINC000972989762 1181851481 /nfs/dbraw/zinc/85/14/81/1181851481.db2.gz KNCCWHYNOWTHJK-SJLPKXTDSA-N 2 1 362.518 0.872 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579352 1182194864 /nfs/dbraw/zinc/19/48/64/1182194864.db2.gz ANSNUEGZLASJHD-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579352 1182194997 /nfs/dbraw/zinc/19/49/97/1182194997.db2.gz ANSNUEGZLASJHD-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973273177 1182196261 /nfs/dbraw/zinc/19/62/61/1182196261.db2.gz TWBHWRYWHWEDKU-OVYGPGRDSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973273177 1182196463 /nfs/dbraw/zinc/19/64/63/1182196463.db2.gz TWBHWRYWHWEDKU-OVYGPGRDSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973273177 1182196563 /nfs/dbraw/zinc/19/65/63/1182196563.db2.gz TWBHWRYWHWEDKU-OVYGPGRDSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973273177 1182196728 /nfs/dbraw/zinc/19/67/28/1182196728.db2.gz TWBHWRYWHWEDKU-OVYGPGRDSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001104680734 1182362179 /nfs/dbraw/zinc/36/21/79/1182362179.db2.gz WLURBELYMAFMSC-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000892784576 1182504249 /nfs/dbraw/zinc/50/42/49/1182504249.db2.gz ITYYYQTZJHCPCB-IRXDYDNUSA-N 2 1 366.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC[N@H+]1C ZINC001025794966 1182846913 /nfs/dbraw/zinc/84/69/13/1182846913.db2.gz HHURMACZLIIXHX-HTPGKPQGSA-N 2 1 361.490 0.021 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC[NH+]1C ZINC001025794966 1182846915 /nfs/dbraw/zinc/84/69/15/1182846915.db2.gz HHURMACZLIIXHX-HTPGKPQGSA-N 2 1 361.490 0.021 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC[NH+]1C ZINC001025794966 1182846919 /nfs/dbraw/zinc/84/69/19/1182846919.db2.gz HHURMACZLIIXHX-HTPGKPQGSA-N 2 1 361.490 0.021 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+](C)CC1 ZINC000893009645 1182865551 /nfs/dbraw/zinc/86/55/51/1182865551.db2.gz DFUCSMLCBORGAT-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104845976 1182950225 /nfs/dbraw/zinc/95/02/25/1182950225.db2.gz CWERJZHHFQRJIE-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001104872740 1182969964 /nfs/dbraw/zinc/96/99/64/1182969964.db2.gz YIMGNZMXEDQCFG-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1CCNCc1cn(C)nn1 ZINC001104967180 1183026289 /nfs/dbraw/zinc/02/62/89/1183026289.db2.gz MNAZRQLSCQDSGP-HUUCEWRRSA-N 2 1 359.478 0.756 20 0 FCADMP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001105010674 1183068083 /nfs/dbraw/zinc/06/80/83/1183068083.db2.gz VNXURULIRXIEBF-OLMNPRSZSA-N 2 1 362.522 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105010192 1183068355 /nfs/dbraw/zinc/06/83/55/1183068355.db2.gz BJASBSDSXLGTGF-KFWWJZLASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001105014644 1183069176 /nfs/dbraw/zinc/06/91/76/1183069176.db2.gz VDELJUZLMYVDKI-HUUCEWRRSA-N 2 1 364.494 0.806 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)C1 ZINC001105041116 1183089242 /nfs/dbraw/zinc/08/92/42/1183089242.db2.gz XRPOPQXSRRUEQQ-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)C1 ZINC001105041116 1183089248 /nfs/dbraw/zinc/08/92/48/1183089248.db2.gz XRPOPQXSRRUEQQ-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)C1 ZINC001105041391 1183089573 /nfs/dbraw/zinc/08/95/73/1183089573.db2.gz CMHSUTJQFIHRHF-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C2)C1 ZINC001105041391 1183089579 /nfs/dbraw/zinc/08/95/79/1183089579.db2.gz CMHSUTJQFIHRHF-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000974545631 1183328206 /nfs/dbraw/zinc/32/82/06/1183328206.db2.gz UYQIKMRGFRCKOR-FGTMMUONSA-N 2 1 371.485 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001026852733 1183415808 /nfs/dbraw/zinc/41/58/08/1183415808.db2.gz PWDGEJGGBSSRNI-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975201430 1183760542 /nfs/dbraw/zinc/76/05/42/1183760542.db2.gz BXPWQFKBDWYNOO-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975201430 1183760553 /nfs/dbraw/zinc/76/05/53/1183760553.db2.gz BXPWQFKBDWYNOO-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975201995 1183761448 /nfs/dbraw/zinc/76/14/48/1183761448.db2.gz AZHBLMNFMDOAGK-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000975313089 1183834059 /nfs/dbraw/zinc/83/40/59/1183834059.db2.gz YLIFZLFDLIQQHG-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC000975737502 1185666874 /nfs/dbraw/zinc/66/68/74/1185666874.db2.gz UWONDLUISGUYQW-XDNAFOTISA-N 2 1 373.501 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC000975737502 1185666889 /nfs/dbraw/zinc/66/68/89/1185666889.db2.gz UWONDLUISGUYQW-XDNAFOTISA-N 2 1 373.501 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975821842 1185819081 /nfs/dbraw/zinc/81/90/81/1185819081.db2.gz LMHXEXOBZJNVNC-IRXDYDNUSA-N 2 1 371.485 0.737 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000978874068 1186016889 /nfs/dbraw/zinc/01/68/89/1186016889.db2.gz JAPYLIKEVFKRGL-YGTYDBBMSA-N 2 1 362.518 0.679 20 0 FCADMP CCN1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978882495 1186020747 /nfs/dbraw/zinc/02/07/47/1186020747.db2.gz HHFDGTPHBAYTAH-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978882495 1186020755 /nfs/dbraw/zinc/02/07/55/1186020755.db2.gz HHFDGTPHBAYTAH-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978882495 1186020761 /nfs/dbraw/zinc/02/07/61/1186020761.db2.gz HHFDGTPHBAYTAH-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978882495 1186020766 /nfs/dbraw/zinc/02/07/66/1186020766.db2.gz HHFDGTPHBAYTAH-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978882495 1186020771 /nfs/dbraw/zinc/02/07/71/1186020771.db2.gz HHFDGTPHBAYTAH-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978876956 1186023757 /nfs/dbraw/zinc/02/37/57/1186023757.db2.gz BXDKKTCQOUKUGJ-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978876956 1186023765 /nfs/dbraw/zinc/02/37/65/1186023765.db2.gz BXDKKTCQOUKUGJ-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978876956 1186023771 /nfs/dbraw/zinc/02/37/71/1186023771.db2.gz BXDKKTCQOUKUGJ-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978876956 1186023778 /nfs/dbraw/zinc/02/37/78/1186023778.db2.gz BXDKKTCQOUKUGJ-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000978963875 1186038493 /nfs/dbraw/zinc/03/84/93/1186038493.db2.gz CHANRCWSCQLVTD-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000978963875 1186038495 /nfs/dbraw/zinc/03/84/95/1186038495.db2.gz CHANRCWSCQLVTD-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978963875 1186038502 /nfs/dbraw/zinc/03/85/02/1186038502.db2.gz CHANRCWSCQLVTD-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978963875 1186038508 /nfs/dbraw/zinc/03/85/08/1186038508.db2.gz CHANRCWSCQLVTD-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112529486 1186083255 /nfs/dbraw/zinc/08/32/55/1186083255.db2.gz BFROENWTPUOGSS-UWVAXJGDSA-N 2 1 362.518 0.779 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001027893302 1186197554 /nfs/dbraw/zinc/19/75/54/1186197554.db2.gz RTJQMXCVDGYBRP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001027893302 1186197569 /nfs/dbraw/zinc/19/75/69/1186197569.db2.gz RTJQMXCVDGYBRP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001027893302 1186197574 /nfs/dbraw/zinc/19/75/74/1186197574.db2.gz RTJQMXCVDGYBRP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027893302 1186197577 /nfs/dbraw/zinc/19/75/77/1186197577.db2.gz RTJQMXCVDGYBRP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027893302 1186197582 /nfs/dbraw/zinc/19/75/82/1186197582.db2.gz RTJQMXCVDGYBRP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027965801 1186243751 /nfs/dbraw/zinc/24/37/51/1186243751.db2.gz GEBJMCMDOUWMPU-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027965801 1186243759 /nfs/dbraw/zinc/24/37/59/1186243759.db2.gz GEBJMCMDOUWMPU-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965801 1186243766 /nfs/dbraw/zinc/24/37/66/1186243766.db2.gz GEBJMCMDOUWMPU-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965801 1186243772 /nfs/dbraw/zinc/24/37/72/1186243772.db2.gz GEBJMCMDOUWMPU-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N2CCCC2)C3)CC[N@H+]1C ZINC000981776073 1186516638 /nfs/dbraw/zinc/51/66/38/1186516638.db2.gz FSBDPVYVDNVDJF-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N2CCCC2)C3)CC[NH+]1C ZINC000981776073 1186516649 /nfs/dbraw/zinc/51/66/49/1186516649.db2.gz FSBDPVYVDNVDJF-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N2CCCC2)C3)CC[NH+]1C ZINC000981776073 1186516652 /nfs/dbraw/zinc/51/66/52/1186516652.db2.gz FSBDPVYVDNVDJF-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CCOC(=O)Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894097481 1187537215 /nfs/dbraw/zinc/53/72/15/1187537215.db2.gz MFNAEGCSZKHUCK-OKILXGFUSA-N 2 1 358.446 0.498 20 0 FCADMP CCOC(=O)Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894097481 1187537219 /nfs/dbraw/zinc/53/72/19/1187537219.db2.gz MFNAEGCSZKHUCK-OKILXGFUSA-N 2 1 358.446 0.498 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001482056032 1187593427 /nfs/dbraw/zinc/59/34/27/1187593427.db2.gz UZXINOUDXLLLLJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000982778801 1187642959 /nfs/dbraw/zinc/64/29/59/1187642959.db2.gz KYBGXXXIWNGJIH-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000982778801 1187642966 /nfs/dbraw/zinc/64/29/66/1187642966.db2.gz KYBGXXXIWNGJIH-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628242 1187757978 /nfs/dbraw/zinc/75/79/78/1187757978.db2.gz QINUJKNKWIEPIB-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628242 1187757988 /nfs/dbraw/zinc/75/79/88/1187757988.db2.gz QINUJKNKWIEPIB-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628242 1187757992 /nfs/dbraw/zinc/75/79/92/1187757992.db2.gz QINUJKNKWIEPIB-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628242 1187757995 /nfs/dbraw/zinc/75/79/95/1187757995.db2.gz QINUJKNKWIEPIB-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000982869538 1187768343 /nfs/dbraw/zinc/76/83/43/1187768343.db2.gz BCOGSVRHHDBXRQ-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000982869538 1187768347 /nfs/dbraw/zinc/76/83/47/1187768347.db2.gz BCOGSVRHHDBXRQ-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420158213 1187797986 /nfs/dbraw/zinc/79/79/86/1187797986.db2.gz CEXXLXYQZVMEIK-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000545883946 1187805795 /nfs/dbraw/zinc/80/57/95/1187805795.db2.gz KCGIFEBDKUMYOJ-IBGZPJMESA-N 2 1 362.474 0.385 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818497 1187921374 /nfs/dbraw/zinc/92/13/74/1187921374.db2.gz UKUJRTVSDPHSQC-JQHSSLGASA-N 2 1 358.486 0.516 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818497 1187921378 /nfs/dbraw/zinc/92/13/78/1187921378.db2.gz UKUJRTVSDPHSQC-JQHSSLGASA-N 2 1 358.486 0.516 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818497 1187921379 /nfs/dbraw/zinc/92/13/79/1187921379.db2.gz UKUJRTVSDPHSQC-JQHSSLGASA-N 2 1 358.486 0.516 20 0 FCADMP C[NH+](C)CCC(=O)N1Cc2n[nH]c(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001270061594 1187985770 /nfs/dbraw/zinc/98/57/70/1187985770.db2.gz PXNNPDWGULDFAF-UHFFFAOYSA-N 2 1 362.478 0.370 20 0 FCADMP Cn1cncc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001270155695 1188033626 /nfs/dbraw/zinc/03/36/26/1188033626.db2.gz QJEWQEBIHIIKAW-CVEARBPZSA-N 2 1 359.474 0.759 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261953839 1188117297 /nfs/dbraw/zinc/11/72/97/1188117297.db2.gz ZLCYUEKYIBTYFV-CABCVRRESA-N 2 1 367.494 0.048 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261953839 1188117307 /nfs/dbraw/zinc/11/73/07/1188117307.db2.gz ZLCYUEKYIBTYFV-CABCVRRESA-N 2 1 367.494 0.048 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1 ZINC001280246457 1188197802 /nfs/dbraw/zinc/19/78/02/1188197802.db2.gz ZCIIMKUIGDPBOW-HXUWFJFHSA-N 3 1 367.582 0.352 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001280246457 1188197804 /nfs/dbraw/zinc/19/78/04/1188197804.db2.gz ZCIIMKUIGDPBOW-HXUWFJFHSA-N 2 1 367.582 0.352 20 0 FCADMP CN1CCN(CCC[N@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001280246457 1188197807 /nfs/dbraw/zinc/19/78/07/1188197807.db2.gz ZCIIMKUIGDPBOW-HXUWFJFHSA-N 2 1 367.582 0.352 20 0 FCADMP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030735 1188212739 /nfs/dbraw/zinc/21/27/39/1188212739.db2.gz MQWNRXLZXPHMRD-CRAIPNDOSA-N 2 1 374.485 0.767 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)Cc1ccccc1 ZINC000550136468 1188233121 /nfs/dbraw/zinc/23/31/21/1188233121.db2.gz FSECUTPZWKJHST-QGZVFWFLSA-N 2 1 369.469 0.952 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(C2)CC[N@H+](CCN(C)C)C3)c1 ZINC001270668197 1188250209 /nfs/dbraw/zinc/25/02/09/1188250209.db2.gz UFHWGBVUAUGQBB-GOSISDBHSA-N 2 1 360.502 0.661 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1 ZINC001270668197 1188250212 /nfs/dbraw/zinc/25/02/12/1188250212.db2.gz UFHWGBVUAUGQBB-GOSISDBHSA-N 2 1 360.502 0.661 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C2)CC[N@H+](CCN(C)C)C3)c1 ZINC001270668198 1188250298 /nfs/dbraw/zinc/25/02/98/1188250298.db2.gz UFHWGBVUAUGQBB-SFHVURJKSA-N 2 1 360.502 0.661 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1 ZINC001270668198 1188250302 /nfs/dbraw/zinc/25/03/02/1188250302.db2.gz UFHWGBVUAUGQBB-SFHVURJKSA-N 2 1 360.502 0.661 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001029101896 1188271810 /nfs/dbraw/zinc/27/18/10/1188271810.db2.gz QIHJUWKOQQFOGZ-CWRNSKLLSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@H]([NH2+]Cc1ncccn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111263 1188290963 /nfs/dbraw/zinc/29/09/63/1188290963.db2.gz FKNDRYOSAQHKMN-HLLBOEOZSA-N 2 1 361.490 0.912 20 0 FCADMP C[C@H]([NH2+]Cc1ncccn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111263 1188290970 /nfs/dbraw/zinc/29/09/70/1188290970.db2.gz FKNDRYOSAQHKMN-HLLBOEOZSA-N 2 1 361.490 0.912 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000550377870 1188343521 /nfs/dbraw/zinc/34/35/21/1188343521.db2.gz YLWVPYQACPOPNT-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000550377870 1188343522 /nfs/dbraw/zinc/34/35/22/1188343522.db2.gz YLWVPYQACPOPNT-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001075800197 1189367045 /nfs/dbraw/zinc/36/70/45/1189367045.db2.gz RRZJFIMCFBBLIL-IPMKNSEASA-N 2 1 370.497 0.760 20 0 FCADMP COc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984011408 1189369926 /nfs/dbraw/zinc/36/99/26/1189369926.db2.gz DDAHPEMJGGGNOC-IXYNUQLISA-N 2 1 363.462 0.189 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001087529576 1189384089 /nfs/dbraw/zinc/38/40/89/1189384089.db2.gz METOOVCKBWLHGX-OTWHNJEPSA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001087529576 1189384094 /nfs/dbraw/zinc/38/40/94/1189384094.db2.gz METOOVCKBWLHGX-OTWHNJEPSA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001087529576 1189384097 /nfs/dbraw/zinc/38/40/97/1189384097.db2.gz METOOVCKBWLHGX-OTWHNJEPSA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(CO)cc1 ZINC001087529576 1189384105 /nfs/dbraw/zinc/38/41/05/1189384105.db2.gz METOOVCKBWLHGX-OTWHNJEPSA-N 2 1 361.486 0.979 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550458517 1189503250 /nfs/dbraw/zinc/50/32/50/1189503250.db2.gz ZDFDIAFVCJANNB-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087573975 1189609460 /nfs/dbraw/zinc/60/94/60/1189609460.db2.gz MVPBSOQFEDCAMV-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1Cc1ncccn1 ZINC001087665368 1189719727 /nfs/dbraw/zinc/71/97/27/1189719727.db2.gz LQLKPOSGCXNZTA-PVXQGDRASA-N 2 1 371.485 0.809 20 0 FCADMP Cc1nccn1CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984260070 1189728729 /nfs/dbraw/zinc/72/87/29/1189728729.db2.gz MCIXZYABGBYCQH-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984260070 1189728758 /nfs/dbraw/zinc/72/87/58/1189728758.db2.gz MCIXZYABGBYCQH-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984260070 1189728783 /nfs/dbraw/zinc/72/87/83/1189728783.db2.gz MCIXZYABGBYCQH-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001271138877 1189807193 /nfs/dbraw/zinc/80/71/93/1189807193.db2.gz HVUPIMWJZLMYNS-LPHOPBHVSA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000550517689 1189809761 /nfs/dbraw/zinc/80/97/61/1189809761.db2.gz IISIAAYOLMHAJH-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000550517689 1189809762 /nfs/dbraw/zinc/80/97/62/1189809762.db2.gz IISIAAYOLMHAJH-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001087966630 1190021574 /nfs/dbraw/zinc/02/15/74/1190021574.db2.gz MNJBIEXPPLLFAP-IKGGRYGDSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)N1CCC1 ZINC001087968846 1190029170 /nfs/dbraw/zinc/02/91/70/1190029170.db2.gz NRMZKNKFWCAPDD-SQNIBIBYSA-N 2 1 360.502 0.341 20 0 FCADMP CCc1nnc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1C ZINC001087971611 1190032345 /nfs/dbraw/zinc/03/23/45/1190032345.db2.gz JPFGVWOIZYLMPQ-WCXIOVBPSA-N 2 1 374.533 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971111 1190036330 /nfs/dbraw/zinc/03/63/30/1190036330.db2.gz DOUJFGKIHRYGSP-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971111 1190036339 /nfs/dbraw/zinc/03/63/39/1190036339.db2.gz DOUJFGKIHRYGSP-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971111 1190036344 /nfs/dbraw/zinc/03/63/44/1190036344.db2.gz DOUJFGKIHRYGSP-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001087992382 1190142187 /nfs/dbraw/zinc/14/21/87/1190142187.db2.gz RMKGBWZXRIJGIQ-ZIFCJYIRSA-N 2 1 365.518 0.793 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001087992382 1190142192 /nfs/dbraw/zinc/14/21/92/1190142192.db2.gz RMKGBWZXRIJGIQ-ZIFCJYIRSA-N 2 1 365.518 0.793 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001087992382 1190142198 /nfs/dbraw/zinc/14/21/98/1190142198.db2.gz RMKGBWZXRIJGIQ-ZIFCJYIRSA-N 2 1 365.518 0.793 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088042094 1190299635 /nfs/dbraw/zinc/29/96/35/1190299635.db2.gz XNFIPJZNIYTLAI-FMKPAKJESA-N 2 1 355.442 0.863 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088042095 1190300324 /nfs/dbraw/zinc/30/03/24/1190300324.db2.gz XNFIPJZNIYTLAI-LZWOXQAQSA-N 2 1 355.442 0.863 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081967 1190466614 /nfs/dbraw/zinc/46/66/14/1190466614.db2.gz MYORWZVRMCSNQL-FJIDUMEYSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001088081967 1190466617 /nfs/dbraw/zinc/46/66/17/1190466617.db2.gz MYORWZVRMCSNQL-FJIDUMEYSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4cnn(C)n4)C[C@H]3C2)CC[N@H+]1C ZINC001088081764 1190467251 /nfs/dbraw/zinc/46/72/51/1190467251.db2.gz DAZDFCFQKQVLMA-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4cn(C)nn4)C[C@H]3C2)CC[N@H+]1C ZINC001088082129 1190467602 /nfs/dbraw/zinc/46/76/02/1190467602.db2.gz XJESTPWUSQZDPS-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088082129 1190467615 /nfs/dbraw/zinc/46/76/15/1190467615.db2.gz XJESTPWUSQZDPS-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[N@H+]1C ZINC001088082129 1190467620 /nfs/dbraw/zinc/46/76/20/1190467620.db2.gz XJESTPWUSQZDPS-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[NH+]1C ZINC001088082129 1190467625 /nfs/dbraw/zinc/46/76/25/1190467625.db2.gz XJESTPWUSQZDPS-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC[NH+]1C ZINC001088082129 1190467629 /nfs/dbraw/zinc/46/76/29/1190467629.db2.gz XJESTPWUSQZDPS-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088083861 1190478704 /nfs/dbraw/zinc/47/87/04/1190478704.db2.gz MUCKZRMGKBKGHQ-VNQPRFMTSA-N 2 1 360.458 0.624 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088106440 1190588683 /nfs/dbraw/zinc/58/86/83/1190588683.db2.gz ZVGSWQGVYBWUGU-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088106440 1190588689 /nfs/dbraw/zinc/58/86/89/1190588689.db2.gz ZVGSWQGVYBWUGU-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088130600 1190632553 /nfs/dbraw/zinc/63/25/53/1190632553.db2.gz WOHUJUTWPOHYER-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985147130 1190639446 /nfs/dbraw/zinc/63/94/46/1190639446.db2.gz XSETZJXTDRADRU-JKSUJKDBSA-N 2 1 359.474 0.783 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088150648 1190674046 /nfs/dbraw/zinc/67/40/46/1190674046.db2.gz ONTQQSZGCFPGBZ-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCn3cccn3)C2)O1 ZINC001088335120 1190750241 /nfs/dbraw/zinc/75/02/41/1190750241.db2.gz WHCYRZMKVUPRSC-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCn3cccn3)C2)O1 ZINC001088335120 1190750243 /nfs/dbraw/zinc/75/02/43/1190750243.db2.gz WHCYRZMKVUPRSC-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001088335826 1190752385 /nfs/dbraw/zinc/75/23/85/1190752385.db2.gz NZSHTPPEKVNDTI-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001088335826 1190752389 /nfs/dbraw/zinc/75/23/89/1190752389.db2.gz NZSHTPPEKVNDTI-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000986130154 1190901236 /nfs/dbraw/zinc/90/12/36/1190901236.db2.gz GLHIBZDFAQIHAF-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)CC[N@H+]1C ZINC000986196399 1190919610 /nfs/dbraw/zinc/91/96/10/1190919610.db2.gz RKOUQONAAKWISY-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001272021041 1190924896 /nfs/dbraw/zinc/92/48/96/1190924896.db2.gz ADQXATQTUNNADO-LPHOPBHVSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001272021041 1190924899 /nfs/dbraw/zinc/92/48/99/1190924899.db2.gz ADQXATQTUNNADO-LPHOPBHVSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281914 1190944031 /nfs/dbraw/zinc/94/40/31/1190944031.db2.gz DSQKAYCYKLABHY-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281914 1190944036 /nfs/dbraw/zinc/94/40/36/1190944036.db2.gz DSQKAYCYKLABHY-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281914 1190944039 /nfs/dbraw/zinc/94/40/39/1190944039.db2.gz DSQKAYCYKLABHY-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986368139 1190971030 /nfs/dbraw/zinc/97/10/30/1190971030.db2.gz VWDLEINJRNUXDC-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP COc1ccnc(N2CCN(C(=O)NCCN3CCO[C@H](C)C3)CC2)c1 ZINC000729605492 1191119668 /nfs/dbraw/zinc/11/96/68/1191119668.db2.gz KAHSNGOUUSXMJA-OAHLLOKOSA-N 2 1 363.462 0.643 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3CN(CC(=O)N(C)CC)C[C@@H]32)CC[N@H+]1C ZINC001217932570 1224132823 /nfs/dbraw/zinc/13/28/23/1224132823.db2.gz LYWWCLUHBFFYJV-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088568588 1191206426 /nfs/dbraw/zinc/20/64/26/1191206426.db2.gz NUEGPVDKQRIZIQ-KBMXLJTQSA-N 2 1 362.474 0.056 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664866 1193729204 /nfs/dbraw/zinc/72/92/04/1193729204.db2.gz ZXXLOQNFCZSVAN-PKOBYXMFSA-N 2 1 370.497 0.714 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664866 1193729209 /nfs/dbraw/zinc/72/92/09/1193729209.db2.gz ZXXLOQNFCZSVAN-PKOBYXMFSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664866 1193729210 /nfs/dbraw/zinc/72/92/10/1193729210.db2.gz ZXXLOQNFCZSVAN-PKOBYXMFSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664866 1193729213 /nfs/dbraw/zinc/72/92/13/1193729213.db2.gz ZXXLOQNFCZSVAN-PKOBYXMFSA-N 2 1 370.497 0.714 20 0 FCADMP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)N1CCOCC1 ZINC000550756399 1193760664 /nfs/dbraw/zinc/76/06/64/1193760664.db2.gz KTVHNRTTZHHAPB-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218522535 1224166871 /nfs/dbraw/zinc/16/68/71/1224166871.db2.gz BHYWBSQXYDUIKE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218522535 1224166874 /nfs/dbraw/zinc/16/68/74/1224166874.db2.gz BHYWBSQXYDUIKE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218522535 1224166880 /nfs/dbraw/zinc/16/68/80/1224166880.db2.gz BHYWBSQXYDUIKE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218522535 1224166883 /nfs/dbraw/zinc/16/68/83/1224166883.db2.gz BHYWBSQXYDUIKE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218522533 1224167439 /nfs/dbraw/zinc/16/74/39/1224167439.db2.gz BHYWBSQXYDUIKE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218522533 1224167440 /nfs/dbraw/zinc/16/74/40/1224167440.db2.gz BHYWBSQXYDUIKE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218522533 1224167443 /nfs/dbraw/zinc/16/74/43/1224167443.db2.gz BHYWBSQXYDUIKE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP COCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218522533 1224167445 /nfs/dbraw/zinc/16/74/45/1224167445.db2.gz BHYWBSQXYDUIKE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001088703037 1193803150 /nfs/dbraw/zinc/80/31/50/1193803150.db2.gz YCDDIZXQNFHZRL-PMPSAXMXSA-N 2 1 358.490 0.973 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550902378 1193819511 /nfs/dbraw/zinc/81/95/11/1193819511.db2.gz HSPCMPSYFBEVIA-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000550945796 1193821800 /nfs/dbraw/zinc/82/18/00/1193821800.db2.gz GVTQVGXBJCTZQV-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000551043333 1193830366 /nfs/dbraw/zinc/83/03/66/1193830366.db2.gz VFNPTOQTTQIDKZ-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000551043333 1193830367 /nfs/dbraw/zinc/83/03/67/1193830367.db2.gz VFNPTOQTTQIDKZ-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000551043333 1193830369 /nfs/dbraw/zinc/83/03/69/1193830369.db2.gz VFNPTOQTTQIDKZ-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551135276 1193834812 /nfs/dbraw/zinc/83/48/12/1193834812.db2.gz BZXPVMHTDWKZLK-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551139970 1193836679 /nfs/dbraw/zinc/83/66/79/1193836679.db2.gz OBKHIGKWMCJVJM-SJORKVTESA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)n1 ZINC001083470453 1193867328 /nfs/dbraw/zinc/86/73/28/1193867328.db2.gz SWJCPLIJIVSULF-CABCVRRESA-N 2 1 371.432 0.265 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694705 1193867478 /nfs/dbraw/zinc/86/74/78/1193867478.db2.gz WMHSNIUZNGZOJI-IAGOWNOFSA-N 3 1 369.554 0.175 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1ccnn1C ZINC001088757206 1193891555 /nfs/dbraw/zinc/89/15/55/1193891555.db2.gz NKAVUIWOEXFWDD-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1ccnn1C ZINC001088757206 1193891559 /nfs/dbraw/zinc/89/15/59/1193891559.db2.gz NKAVUIWOEXFWDD-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ccnn1C ZINC001088757206 1193891560 /nfs/dbraw/zinc/89/15/60/1193891560.db2.gz NKAVUIWOEXFWDD-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ccnn1C ZINC001088757206 1193891561 /nfs/dbraw/zinc/89/15/61/1193891561.db2.gz NKAVUIWOEXFWDD-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP Cc1oncc1CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757452 1193892514 /nfs/dbraw/zinc/89/25/14/1193892514.db2.gz ZYCWXMLHSAUGEX-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757452 1193892517 /nfs/dbraw/zinc/89/25/17/1193892517.db2.gz ZYCWXMLHSAUGEX-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757452 1193892522 /nfs/dbraw/zinc/89/25/22/1193892522.db2.gz ZYCWXMLHSAUGEX-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757452 1193892523 /nfs/dbraw/zinc/89/25/23/1193892523.db2.gz ZYCWXMLHSAUGEX-AJTSGFOTSA-N 2 1 360.458 0.925 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]([NH3+])Cc3cccc(O)c3)ncn2)CC1 ZINC001218573428 1224175816 /nfs/dbraw/zinc/17/58/16/1224175816.db2.gz XJNLGTZMTMNGFL-HNNXBMFYSA-N 2 1 356.430 0.443 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCc3nc(C)no3)C[C@@H]2O)CC[N@H+]1C ZINC001083474434 1193907433 /nfs/dbraw/zinc/90/74/33/1193907433.db2.gz HANFGLNVXIQDMH-JJXSEGSLSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474434 1193907439 /nfs/dbraw/zinc/90/74/39/1193907439.db2.gz HANFGLNVXIQDMH-JJXSEGSLSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@@H]2O)CC[N@H+]1C ZINC001083474434 1193907444 /nfs/dbraw/zinc/90/74/44/1193907444.db2.gz HANFGLNVXIQDMH-JJXSEGSLSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@@H]2O)CC[NH+]1C ZINC001083474434 1193907451 /nfs/dbraw/zinc/90/74/51/1193907451.db2.gz HANFGLNVXIQDMH-JJXSEGSLSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]2O)CC[NH+]1C ZINC001083474434 1193907458 /nfs/dbraw/zinc/90/74/58/1193907458.db2.gz HANFGLNVXIQDMH-JJXSEGSLSA-N 2 1 365.478 0.202 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000552175785 1193910499 /nfs/dbraw/zinc/91/04/99/1193910499.db2.gz LELVLRDSZBLEFE-LSDHHAIUSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552175785 1193910505 /nfs/dbraw/zinc/91/05/05/1193910505.db2.gz LELVLRDSZBLEFE-LSDHHAIUSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552175785 1193910512 /nfs/dbraw/zinc/91/05/12/1193910512.db2.gz LELVLRDSZBLEFE-LSDHHAIUSA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)cn2)CC1 ZINC001218580383 1224176734 /nfs/dbraw/zinc/17/67/34/1224176734.db2.gz PCWQIAQJYBEWPT-BEFAXECRSA-N 2 1 374.489 0.716 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552501269 1193934854 /nfs/dbraw/zinc/93/48/54/1193934854.db2.gz SVJGFQNZSHQFKI-NCOADZHNSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552501269 1193934855 /nfs/dbraw/zinc/93/48/55/1193934855.db2.gz SVJGFQNZSHQFKI-NCOADZHNSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000552487029 1193936258 /nfs/dbraw/zinc/93/62/58/1193936258.db2.gz FJSGEHJNDNRKFQ-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000552487029 1193936260 /nfs/dbraw/zinc/93/62/60/1193936260.db2.gz FJSGEHJNDNRKFQ-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487029 1193936263 /nfs/dbraw/zinc/93/62/63/1193936263.db2.gz FJSGEHJNDNRKFQ-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487029 1193936264 /nfs/dbraw/zinc/93/62/64/1193936264.db2.gz FJSGEHJNDNRKFQ-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552538508 1193937780 /nfs/dbraw/zinc/93/77/80/1193937780.db2.gz DAKZMEIRGMAMGK-CVEARBPZSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000552538880 1193938527 /nfs/dbraw/zinc/93/85/27/1193938527.db2.gz QPHKKBGFMLJLNJ-MRXNPFEDSA-N 2 1 368.522 0.261 20 0 FCADMP CC(C)Nc1nc(N2CC[NH+](CCC(C)(C)C)CC2)nc(NCCO)[nH+]1 ZINC000552951023 1193960831 /nfs/dbraw/zinc/96/08/31/1193960831.db2.gz QUKCEPKWAQAHRY-UHFFFAOYSA-N 2 1 365.526 0.498 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000553098179 1193971333 /nfs/dbraw/zinc/97/13/33/1193971333.db2.gz NJFBBGJJYFAUPM-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP Nc1cn(C(=O)[C@@H]([NH3+])c2ccccc2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621049 1224183396 /nfs/dbraw/zinc/18/33/96/1224183396.db2.gz JVECUXSVJVVUKX-SFHVURJKSA-N 2 1 355.442 0.643 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553603037 1194010422 /nfs/dbraw/zinc/01/04/22/1194010422.db2.gz ZYGGUXVRAZVCBL-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000553657362 1194011558 /nfs/dbraw/zinc/01/15/58/1194011558.db2.gz FABDROWAHDYDEE-UHFFFAOYSA-N 2 1 367.494 0.960 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000553712361 1194016153 /nfs/dbraw/zinc/01/61/53/1194016153.db2.gz QUKQOISXHUZQBY-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645004 1224188509 /nfs/dbraw/zinc/18/85/09/1224188509.db2.gz BAMBEYCMZMJEMO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645004 1224188512 /nfs/dbraw/zinc/18/85/12/1224188512.db2.gz BAMBEYCMZMJEMO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21)CC(C)(C)C ZINC001218645004 1224188522 /nfs/dbraw/zinc/18/85/22/1224188522.db2.gz BAMBEYCMZMJEMO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228928 1194108120 /nfs/dbraw/zinc/10/81/20/1194108120.db2.gz CNLASKUIDUYQJT-GOSISDBHSA-N 2 1 360.502 0.994 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001083523682 1194146581 /nfs/dbraw/zinc/14/65/81/1194146581.db2.gz NZTDQGQLFSNDRP-KURKYZTESA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001083523682 1194146585 /nfs/dbraw/zinc/14/65/85/1194146585.db2.gz NZTDQGQLFSNDRP-KURKYZTESA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001083523682 1194146586 /nfs/dbraw/zinc/14/65/86/1194146586.db2.gz NZTDQGQLFSNDRP-KURKYZTESA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001083523682 1194146591 /nfs/dbraw/zinc/14/65/91/1194146591.db2.gz NZTDQGQLFSNDRP-KURKYZTESA-N 2 1 361.490 0.451 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C1 ZINC001218696094 1224198499 /nfs/dbraw/zinc/19/84/99/1224198499.db2.gz MWMBSJHWTDALAD-MRXNPFEDSA-N 2 1 360.506 0.821 20 0 FCADMP Nc1cn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708771 1224201189 /nfs/dbraw/zinc/20/11/89/1224201189.db2.gz HJIMNNSOVUKYGK-QGZVFWFLSA-N 3 1 372.448 0.746 20 0 FCADMP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076029408 1194255402 /nfs/dbraw/zinc/25/54/02/1194255402.db2.gz LLJRVPXUWBDEAF-RRQGHBQHSA-N 2 1 366.425 0.302 20 0 FCADMP Cc1cncn1CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076049605 1194267240 /nfs/dbraw/zinc/26/72/40/1194267240.db2.gz JKDFETNQILILLH-DLBZAZTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076049605 1194267243 /nfs/dbraw/zinc/26/72/43/1194267243.db2.gz JKDFETNQILILLH-DLBZAZTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076049605 1194267248 /nfs/dbraw/zinc/26/72/48/1194267248.db2.gz JKDFETNQILILLH-DLBZAZTESA-N 2 1 359.474 0.737 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076053241 1194270000 /nfs/dbraw/zinc/27/00/00/1194270000.db2.gz WDQXLKZYYQTADJ-RRQGHBQHSA-N 2 1 357.458 0.183 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076053241 1194270009 /nfs/dbraw/zinc/27/00/09/1194270009.db2.gz WDQXLKZYYQTADJ-RRQGHBQHSA-N 2 1 357.458 0.183 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1=O ZINC001076106644 1194308580 /nfs/dbraw/zinc/30/85/80/1194308580.db2.gz AQYWGKHARDABNM-GVDBMIGSSA-N 2 1 359.474 0.815 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076107499 1194309314 /nfs/dbraw/zinc/30/93/14/1194309314.db2.gz ZDTQLFIPHRENRS-HRCADAONSA-N 2 1 355.446 0.585 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076203906 1194352633 /nfs/dbraw/zinc/35/26/33/1194352633.db2.gz JEEHWTGDYGLCIN-OKZBNKHCSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242928 1194369792 /nfs/dbraw/zinc/36/97/92/1194369792.db2.gz XACYATGHTFSVAV-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242928 1194369798 /nfs/dbraw/zinc/36/97/98/1194369798.db2.gz XACYATGHTFSVAV-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242928 1194369803 /nfs/dbraw/zinc/36/98/03/1194369803.db2.gz XACYATGHTFSVAV-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242928 1194369807 /nfs/dbraw/zinc/36/98/07/1194369807.db2.gz XACYATGHTFSVAV-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324639 1194396753 /nfs/dbraw/zinc/39/67/53/1194396753.db2.gz XCVNRYPRDQQNMV-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1noc(CN2CC[C@@]3(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)n1 ZINC001276795412 1224218276 /nfs/dbraw/zinc/21/82/76/1224218276.db2.gz IQNWEPJJYACGRV-RDTXWAMCSA-N 2 1 365.478 0.551 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076447171 1194501985 /nfs/dbraw/zinc/50/19/85/1194501985.db2.gz UQIVJGUTUJGINT-OKZBNKHCSA-N 2 1 360.502 0.530 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465772 1194509267 /nfs/dbraw/zinc/50/92/67/1194509267.db2.gz VAPXGTVUDBNVHD-YESZJQIVSA-N 2 1 360.502 0.624 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001218789917 1224222828 /nfs/dbraw/zinc/22/28/28/1224222828.db2.gz WCNDDGWBPCHISG-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001218789917 1224222835 /nfs/dbraw/zinc/22/28/35/1224222835.db2.gz WCNDDGWBPCHISG-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001076573170 1194569934 /nfs/dbraw/zinc/56/99/34/1194569934.db2.gz NQVISXJPCGAHMR-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001076573170 1194569939 /nfs/dbraw/zinc/56/99/39/1194569939.db2.gz NQVISXJPCGAHMR-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076573715 1194570191 /nfs/dbraw/zinc/57/01/91/1194570191.db2.gz WYBJSARXMMJNFG-GVDBMIGSSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076573715 1194570200 /nfs/dbraw/zinc/57/02/00/1194570200.db2.gz WYBJSARXMMJNFG-GVDBMIGSSA-N 2 1 359.474 0.734 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569535 1194575525 /nfs/dbraw/zinc/57/55/25/1194575525.db2.gz ZYNSUUIOPICREC-YQQAZPJKSA-N 2 1 359.474 0.778 20 0 FCADMP COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569535 1194575527 /nfs/dbraw/zinc/57/55/27/1194575527.db2.gz ZYNSUUIOPICREC-YQQAZPJKSA-N 2 1 359.474 0.778 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569535 1194575531 /nfs/dbraw/zinc/57/55/31/1194575531.db2.gz ZYNSUUIOPICREC-YQQAZPJKSA-N 2 1 359.474 0.778 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569535 1194575534 /nfs/dbraw/zinc/57/55/34/1194575534.db2.gz ZYNSUUIOPICREC-YQQAZPJKSA-N 2 1 359.474 0.778 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218819537 1224231343 /nfs/dbraw/zinc/23/13/43/1224231343.db2.gz JBLQCDAXXDFJFW-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218819437 1224231785 /nfs/dbraw/zinc/23/17/85/1224231785.db2.gz DACSPCVPTGTOQW-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)COC(C)(C)C)C2 ZINC001276798473 1224250685 /nfs/dbraw/zinc/25/06/85/1224250685.db2.gz DKCHPUHECYLLIL-QFBILLFUSA-N 2 1 371.522 0.275 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007724 1195142457 /nfs/dbraw/zinc/14/24/57/1195142457.db2.gz ZKGVVGYLLDEDAK-BHIYHBOVSA-N 2 1 361.461 0.871 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007724 1195142460 /nfs/dbraw/zinc/14/24/60/1195142460.db2.gz ZKGVVGYLLDEDAK-BHIYHBOVSA-N 2 1 361.461 0.871 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001077024891 1195155569 /nfs/dbraw/zinc/15/55/69/1195155569.db2.gz VVUJVEUBENAJCM-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001077024891 1195155575 /nfs/dbraw/zinc/15/55/75/1195155575.db2.gz VVUJVEUBENAJCM-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077024891 1195155578 /nfs/dbraw/zinc/15/55/78/1195155578.db2.gz VVUJVEUBENAJCM-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077024891 1195155583 /nfs/dbraw/zinc/15/55/83/1195155583.db2.gz VVUJVEUBENAJCM-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092345 1195208335 /nfs/dbraw/zinc/20/83/35/1195208335.db2.gz PXLZCTLUNICSOY-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092345 1195208339 /nfs/dbraw/zinc/20/83/39/1195208339.db2.gz PXLZCTLUNICSOY-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092345 1195208343 /nfs/dbraw/zinc/20/83/43/1195208343.db2.gz PXLZCTLUNICSOY-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092345 1195208348 /nfs/dbraw/zinc/20/83/48/1195208348.db2.gz PXLZCTLUNICSOY-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566292 1195297573 /nfs/dbraw/zinc/29/75/73/1195297573.db2.gz BUMYKRZMDRABPA-DQEVTTJGSA-N 2 1 361.486 0.629 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566292 1195297580 /nfs/dbraw/zinc/29/75/80/1195297580.db2.gz BUMYKRZMDRABPA-DQEVTTJGSA-N 2 1 361.486 0.629 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566292 1195297585 /nfs/dbraw/zinc/29/75/85/1195297585.db2.gz BUMYKRZMDRABPA-DQEVTTJGSA-N 2 1 361.486 0.629 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566292 1195297593 /nfs/dbraw/zinc/29/75/93/1195297593.db2.gz BUMYKRZMDRABPA-DQEVTTJGSA-N 2 1 361.486 0.629 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077219176 1195328787 /nfs/dbraw/zinc/32/87/87/1195328787.db2.gz LFCGDTQYWVKADW-OPQOLIRYSA-N 2 1 365.518 0.839 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001218965561 1224275198 /nfs/dbraw/zinc/27/51/98/1224275198.db2.gz OVAISGISLNGPGB-RBUKOAKNSA-N 2 1 361.486 0.719 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276051 1195377066 /nfs/dbraw/zinc/37/70/66/1195377066.db2.gz JSDSJQYEXFDWHJ-QZTJIDSGSA-N 2 1 358.442 0.844 20 0 FCADMP COC(=O)c1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C(C)=O)c1 ZINC001218981280 1224277597 /nfs/dbraw/zinc/27/75/97/1224277597.db2.gz BXGMVYQUDSUGGN-OAHLLOKOSA-N 2 1 362.430 0.365 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299486 1195398396 /nfs/dbraw/zinc/39/83/96/1195398396.db2.gz DDJVTXAMKMCARW-KZNAEPCWSA-N 2 1 365.518 0.717 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077311965 1195414854 /nfs/dbraw/zinc/41/48/54/1195414854.db2.gz HFYJTKHORDODOK-BLYBZDDLSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417936 1195516677 /nfs/dbraw/zinc/51/66/77/1195516677.db2.gz FFYFCWKXOSFZLV-MOXMWUHRSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077417936 1195516683 /nfs/dbraw/zinc/51/66/83/1195516683.db2.gz FFYFCWKXOSFZLV-MOXMWUHRSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077417936 1195516686 /nfs/dbraw/zinc/51/66/86/1195516686.db2.gz FFYFCWKXOSFZLV-MOXMWUHRSA-N 2 1 361.486 0.511 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418077 1195517375 /nfs/dbraw/zinc/51/73/75/1195517375.db2.gz IEYQKZHDUBDKSO-ARCLZCIDSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418077 1195517388 /nfs/dbraw/zinc/51/73/88/1195517388.db2.gz IEYQKZHDUBDKSO-ARCLZCIDSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418077 1195517391 /nfs/dbraw/zinc/51/73/91/1195517391.db2.gz IEYQKZHDUBDKSO-ARCLZCIDSA-N 2 1 371.481 0.520 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006810 1224286377 /nfs/dbraw/zinc/28/63/77/1224286377.db2.gz ZBNTTZPMGHEZMK-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006810 1224286379 /nfs/dbraw/zinc/28/63/79/1224286379.db2.gz ZBNTTZPMGHEZMK-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006810 1224286385 /nfs/dbraw/zinc/28/63/85/1224286385.db2.gz ZBNTTZPMGHEZMK-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)CC2)oc1C ZINC000905102808 1195575123 /nfs/dbraw/zinc/57/51/23/1195575123.db2.gz HRVNZZLCHLTVRQ-IEBWSBKVSA-N 2 1 367.490 0.995 20 0 FCADMP O[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@]1(O)CCOC1 ZINC000905233048 1195578405 /nfs/dbraw/zinc/57/84/05/1195578405.db2.gz PYPQEWMVKZEGLT-SLFFLAALSA-N 2 1 364.486 0.770 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906644469 1195641399 /nfs/dbraw/zinc/64/13/99/1195641399.db2.gz BHTHRRSEVOZYGX-HNNXBMFYSA-N 2 1 361.490 0.474 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000906697671 1195646304 /nfs/dbraw/zinc/64/63/04/1195646304.db2.gz OZLVCGVNJJSHFN-OKILXGFUSA-N 2 1 360.458 0.842 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000906697671 1195646308 /nfs/dbraw/zinc/64/63/08/1195646308.db2.gz OZLVCGVNJJSHFN-OKILXGFUSA-N 2 1 360.458 0.842 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000906722932 1195655929 /nfs/dbraw/zinc/65/59/29/1195655929.db2.gz YFFJXIJNMSOCRD-UHFFFAOYSA-N 2 1 360.458 0.955 20 0 FCADMP CCOC(=O)[C@H]1CCCN(CC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757225 1195709905 /nfs/dbraw/zinc/70/99/05/1195709905.db2.gz UWNDNFPEDXRMPO-IRXDYDNUSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000907757225 1195709910 /nfs/dbraw/zinc/70/99/10/1195709910.db2.gz UWNDNFPEDXRMPO-IRXDYDNUSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000907757225 1195709915 /nfs/dbraw/zinc/70/99/15/1195709915.db2.gz UWNDNFPEDXRMPO-IRXDYDNUSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757225 1195709918 /nfs/dbraw/zinc/70/99/18/1195709918.db2.gz UWNDNFPEDXRMPO-IRXDYDNUSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757225 1195709923 /nfs/dbraw/zinc/70/99/23/1195709923.db2.gz UWNDNFPEDXRMPO-IRXDYDNUSA-N 2 1 369.506 0.879 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)[C@@H]2C1 ZINC000910838724 1195849275 /nfs/dbraw/zinc/84/92/75/1195849275.db2.gz YZHRXFPAYPGKPH-DOTOQJQBSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCCO1 ZINC000910984095 1195873319 /nfs/dbraw/zinc/87/33/19/1195873319.db2.gz LCVVPVRPTASETO-BMGDILEWSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029226 1195880222 /nfs/dbraw/zinc/88/02/22/1195880222.db2.gz LSXOLJJJNYPLTC-LBTBCDHLSA-N 2 1 358.486 0.964 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000911069828 1195885919 /nfs/dbraw/zinc/88/59/19/1195885919.db2.gz WSHFTZRARYKNIB-IAGOWNOFSA-N 2 1 367.538 0.023 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000911069828 1195885920 /nfs/dbraw/zinc/88/59/20/1195885920.db2.gz WSHFTZRARYKNIB-IAGOWNOFSA-N 2 1 367.538 0.023 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000911069829 1195886058 /nfs/dbraw/zinc/88/60/58/1195886058.db2.gz WSHFTZRARYKNIB-IRXDYDNUSA-N 2 1 367.538 0.023 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000911069829 1195886062 /nfs/dbraw/zinc/88/60/62/1195886062.db2.gz WSHFTZRARYKNIB-IRXDYDNUSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911123285 1195892836 /nfs/dbraw/zinc/89/28/36/1195892836.db2.gz HBQNBHJRRBVQDW-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911195527 1195918477 /nfs/dbraw/zinc/91/84/77/1195918477.db2.gz ULDPUTCXNXXOMY-KANFNMMFSA-N 2 1 370.497 0.691 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CCC1 ZINC001083644463 1195931905 /nfs/dbraw/zinc/93/19/05/1195931905.db2.gz ICIFDBTYKYHTKP-FGTMMUONSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644519 1195931923 /nfs/dbraw/zinc/93/19/23/1195931923.db2.gz KUPCYPPEEGMXHN-QRVBRYPASA-N 2 1 366.421 0.843 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644519 1195931927 /nfs/dbraw/zinc/93/19/27/1195931927.db2.gz KUPCYPPEEGMXHN-QRVBRYPASA-N 2 1 366.421 0.843 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCOC)C[C@@H]32)C1 ZINC001219043771 1224312434 /nfs/dbraw/zinc/31/24/34/1224312434.db2.gz HNJIGUDXEDEBGP-RCCFBDPRSA-N 2 1 369.506 0.435 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCOC)C[C@@H]32)C1 ZINC001219043771 1224312444 /nfs/dbraw/zinc/31/24/44/1224312444.db2.gz HNJIGUDXEDEBGP-RCCFBDPRSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCCOC)C[C@@H]32)C1 ZINC001219043771 1224312455 /nfs/dbraw/zinc/31/24/55/1224312455.db2.gz HNJIGUDXEDEBGP-RCCFBDPRSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCCOC)C[C@@H]32)C1 ZINC001219043771 1224312469 /nfs/dbraw/zinc/31/24/69/1224312469.db2.gz HNJIGUDXEDEBGP-RCCFBDPRSA-N 2 1 369.506 0.435 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318377 1195938021 /nfs/dbraw/zinc/93/80/21/1195938021.db2.gz GHNNNSWCRVCWME-IAGOWNOFSA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318377 1195938026 /nfs/dbraw/zinc/93/80/26/1195938026.db2.gz GHNNNSWCRVCWME-IAGOWNOFSA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318377 1195938033 /nfs/dbraw/zinc/93/80/33/1195938033.db2.gz GHNNNSWCRVCWME-IAGOWNOFSA-N 2 1 368.522 0.658 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911350558 1195939275 /nfs/dbraw/zinc/93/92/75/1195939275.db2.gz HSPQRUADRXYANO-JQHSSLGASA-N 2 1 358.486 0.820 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000911363378 1195942626 /nfs/dbraw/zinc/94/26/26/1195942626.db2.gz LLRUCUAABFSVSX-QGZVFWFLSA-N 2 1 358.486 0.665 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001219052400 1224322199 /nfs/dbraw/zinc/32/21/99/1224322199.db2.gz YUXJJVLBQDPYNK-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000911829746 1196314080 /nfs/dbraw/zinc/31/40/80/1196314080.db2.gz VMJPFRVQVAXBRS-JGAFCMAOSA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000911829746 1196314083 /nfs/dbraw/zinc/31/40/83/1196314083.db2.gz VMJPFRVQVAXBRS-JGAFCMAOSA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000911829746 1196314085 /nfs/dbraw/zinc/31/40/85/1196314085.db2.gz VMJPFRVQVAXBRS-JGAFCMAOSA-N 2 1 366.481 0.145 20 0 FCADMP CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655070 1196349945 /nfs/dbraw/zinc/34/99/45/1196349945.db2.gz UCDXMVXSNADDPY-LXJOXGFSSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655070 1196349953 /nfs/dbraw/zinc/34/99/53/1196349953.db2.gz UCDXMVXSNADDPY-LXJOXGFSSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655070 1196349958 /nfs/dbraw/zinc/34/99/58/1196349958.db2.gz UCDXMVXSNADDPY-LXJOXGFSSA-N 2 1 363.502 0.447 20 0 FCADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3CCC([NH+]4CCNCC4)CC3)c21 ZINC000592566593 1196569198 /nfs/dbraw/zinc/56/91/98/1196569198.db2.gz NXMWVZKPWWWOCL-FHERZECASA-N 2 1 360.506 0.665 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)C1 ZINC000592964458 1196597180 /nfs/dbraw/zinc/59/71/80/1196597180.db2.gz GVJVUWXNYSTBBA-HZPDHXFCSA-N 2 1 360.506 0.571 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000991738484 1196755728 /nfs/dbraw/zinc/75/57/28/1196755728.db2.gz IKTJQDVRTOYCIH-MOPGFXCFSA-N 2 1 370.497 0.755 20 0 FCADMP Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974441 1196762113 /nfs/dbraw/zinc/76/21/13/1196762113.db2.gz WNZCNHBMBHTFNK-FVQBIDKESA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974441 1196762123 /nfs/dbraw/zinc/76/21/23/1196762123.db2.gz WNZCNHBMBHTFNK-FVQBIDKESA-N 2 1 365.478 0.325 20 0 FCADMP CO[C@H](Cc1ccccc1)CN1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515414 1196801572 /nfs/dbraw/zinc/80/15/72/1196801572.db2.gz WNWQOFKWRJSYHJ-ATZDWAIDSA-N 2 1 361.486 0.764 20 0 FCADMP CO[C@H](Cc1ccccc1)CN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515414 1196801573 /nfs/dbraw/zinc/80/15/73/1196801573.db2.gz WNWQOFKWRJSYHJ-ATZDWAIDSA-N 2 1 361.486 0.764 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CCn1cncn1 ZINC001088971434 1196851900 /nfs/dbraw/zinc/85/19/00/1196851900.db2.gz PLVZNUMZWBMLRC-QAPCUYQASA-N 2 1 360.506 0.979 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1CC(=O)N1CCCC[C@H]1C ZINC001088981047 1196856392 /nfs/dbraw/zinc/85/63/92/1196856392.db2.gz ABIHMTLHCGAOPX-INMHGKMJSA-N 2 1 361.490 0.943 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC001088981047 1196856393 /nfs/dbraw/zinc/85/63/93/1196856393.db2.gz ABIHMTLHCGAOPX-INMHGKMJSA-N 2 1 361.490 0.943 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049997 1196875761 /nfs/dbraw/zinc/87/57/61/1196875761.db2.gz MCRBVGGPXAGTFJ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049997 1196875762 /nfs/dbraw/zinc/87/57/62/1196875762.db2.gz MCRBVGGPXAGTFJ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049997 1196875765 /nfs/dbraw/zinc/87/57/65/1196875765.db2.gz MCRBVGGPXAGTFJ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049997 1196875767 /nfs/dbraw/zinc/87/57/67/1196875767.db2.gz MCRBVGGPXAGTFJ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000992151957 1196976656 /nfs/dbraw/zinc/97/66/56/1196976656.db2.gz CVFBBVTUTLBKMX-RDHHWEPZSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cc3cn4c(n3)CCCC4)C2)CC[N@H+]1C ZINC000992310900 1197059305 /nfs/dbraw/zinc/05/93/05/1197059305.db2.gz VFSKACRXVOXASW-CZUORRHYSA-N 2 1 359.474 0.429 20 0 FCADMP Cc1ccccc1NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272413625 1197066764 /nfs/dbraw/zinc/06/67/64/1197066764.db2.gz FTJFTWHOYBHBTQ-OWCLPIDISA-N 2 1 362.474 0.340 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)CC[N@H+]1C ZINC000992320868 1197067066 /nfs/dbraw/zinc/06/70/66/1197067066.db2.gz YJWJKRXOEKPQEC-ZXYWRSMDSA-N 2 1 368.497 0.866 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC[NH+]1C ZINC000992320868 1197067068 /nfs/dbraw/zinc/06/70/68/1197067068.db2.gz YJWJKRXOEKPQEC-ZXYWRSMDSA-N 2 1 368.497 0.866 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC[NH+]1C ZINC000992320868 1197067073 /nfs/dbraw/zinc/06/70/73/1197067073.db2.gz YJWJKRXOEKPQEC-ZXYWRSMDSA-N 2 1 368.497 0.866 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)C1(N)CC[NH2+]CC1 ZINC001219262049 1224407150 /nfs/dbraw/zinc/40/71/50/1224407150.db2.gz JIXFNSKISCUBHZ-UHFFFAOYSA-N 2 1 373.457 0.871 20 0 FCADMP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245823 1197779387 /nfs/dbraw/zinc/77/93/87/1197779387.db2.gz FBFJAIWODMZGLR-KZNAEPCWSA-N 2 1 365.522 0.922 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001085275243 1197782060 /nfs/dbraw/zinc/78/20/60/1197782060.db2.gz WOWGDDLRMDNCOS-HUUCEWRRSA-N 2 1 354.418 0.689 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106256022 1197795162 /nfs/dbraw/zinc/79/51/62/1197795162.db2.gz UPSOJXZUKBVLOG-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323080 1197864368 /nfs/dbraw/zinc/86/43/68/1197864368.db2.gz XICASWDMBAAQGH-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589166 1197864760 /nfs/dbraw/zinc/86/47/60/1197864760.db2.gz FMIKSSSTCDCNHJ-GJZGRUSLSA-N 2 1 370.413 0.185 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855486 1197893909 /nfs/dbraw/zinc/89/39/09/1197893909.db2.gz FKBSZSNNNJARLH-NSHGMRRFSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855486 1197893916 /nfs/dbraw/zinc/89/39/16/1197893916.db2.gz FKBSZSNNNJARLH-NSHGMRRFSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855486 1197893918 /nfs/dbraw/zinc/89/39/18/1197893918.db2.gz FKBSZSNNNJARLH-NSHGMRRFSA-N 2 1 359.470 0.603 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C)C1CC1 ZINC001106433635 1197923849 /nfs/dbraw/zinc/92/38/49/1197923849.db2.gz MUUZVRTUOOINHX-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NC2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000828014933 1197927249 /nfs/dbraw/zinc/92/72/49/1197927249.db2.gz GILSNIZXYRMYBJ-UHFFFAOYSA-N 2 1 362.522 0.921 20 0 FCADMP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453555 1197933802 /nfs/dbraw/zinc/93/38/02/1197933802.db2.gz OADXQULTRSLSTL-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001066339258 1198045509 /nfs/dbraw/zinc/04/55/09/1198045509.db2.gz PQTYCKJETHICET-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COc1coc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001086090550 1198155745 /nfs/dbraw/zinc/15/57/45/1198155745.db2.gz FBIXWKWKOJVRNM-HGTKMLMNSA-N 2 1 363.458 0.973 20 0 FCADMP CCn1cc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086119917 1198177690 /nfs/dbraw/zinc/17/76/90/1198177690.db2.gz FVVYGIVTCGPGHI-NRSFXHEJSA-N 2 1 363.506 0.649 20 0 FCADMP CCn1cc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086119917 1198177692 /nfs/dbraw/zinc/17/76/92/1198177692.db2.gz FVVYGIVTCGPGHI-NRSFXHEJSA-N 2 1 363.506 0.649 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001006286968 1198228278 /nfs/dbraw/zinc/22/82/78/1198228278.db2.gz MMPKKHMIQRHICT-HZMVEIRTSA-N 2 1 360.502 0.815 20 0 FCADMP COc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400528 1198355626 /nfs/dbraw/zinc/35/56/26/1198355626.db2.gz KTVKDFAXTXPWHV-IXYNUQLISA-N 2 1 363.462 0.189 20 0 FCADMP COc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400528 1198355633 /nfs/dbraw/zinc/35/56/33/1198355633.db2.gz KTVKDFAXTXPWHV-IXYNUQLISA-N 2 1 363.462 0.189 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006309926 1198394063 /nfs/dbraw/zinc/39/40/63/1198394063.db2.gz PRKWMFMUJGPAQI-VQHPVUNQSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)C1 ZINC001006309926 1198394072 /nfs/dbraw/zinc/39/40/72/1198394072.db2.gz PRKWMFMUJGPAQI-VQHPVUNQSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)C1 ZINC001006309926 1198394084 /nfs/dbraw/zinc/39/40/84/1198394084.db2.gz PRKWMFMUJGPAQI-VQHPVUNQSA-N 2 1 362.518 0.918 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])c1cccnc1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497905 1224487794 /nfs/dbraw/zinc/48/77/94/1224487794.db2.gz JSEMXQGSQCIZEY-QFBILLFUSA-N 2 1 367.409 0.912 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498348 1224488135 /nfs/dbraw/zinc/48/81/35/1224488135.db2.gz WTMJCOMIAZWEOK-SGTLLEGYSA-N 2 1 370.413 0.110 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538274 1224502553 /nfs/dbraw/zinc/50/25/53/1224502553.db2.gz WXVMQYQWTLSOSX-IAOVAPTHSA-N 3 1 372.469 0.526 20 0 FCADMP CN1C[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538274 1224502557 /nfs/dbraw/zinc/50/25/57/1224502557.db2.gz WXVMQYQWTLSOSX-IAOVAPTHSA-N 2 1 372.469 0.526 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001169173078 1199055015 /nfs/dbraw/zinc/05/50/15/1199055015.db2.gz YLVLZCZLNYBNLC-KGLIPLIRSA-N 2 1 362.478 0.416 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H]1C[NH3+] ZINC001169173078 1199055018 /nfs/dbraw/zinc/05/50/18/1199055018.db2.gz YLVLZCZLNYBNLC-KGLIPLIRSA-N 2 1 362.478 0.416 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337661 1199078685 /nfs/dbraw/zinc/07/86/85/1199078685.db2.gz RZXXJHJJFJHFJE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337661 1199078693 /nfs/dbraw/zinc/07/86/93/1199078693.db2.gz RZXXJHJJFJHFJE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CC(=O)N1CCC[C@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169614282 1199082366 /nfs/dbraw/zinc/08/23/66/1199082366.db2.gz DSLZZPMBNNLIGK-KRWDZBQOSA-N 2 1 372.517 0.640 20 0 FCADMP CC(=O)N1CCC[C@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169614282 1199082369 /nfs/dbraw/zinc/08/23/69/1199082369.db2.gz DSLZZPMBNNLIGK-KRWDZBQOSA-N 2 1 372.517 0.640 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652110 1224545779 /nfs/dbraw/zinc/54/57/79/1224545779.db2.gz AHYLLGMFHYIYCE-SJORKVTESA-N 2 1 367.494 0.035 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)CNC1 ZINC001219722846 1224577015 /nfs/dbraw/zinc/57/70/15/1224577015.db2.gz GAHSXXZTDOVWTJ-QGZVFWFLSA-N 2 1 360.477 0.916 20 0 FCADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723126 1224577305 /nfs/dbraw/zinc/57/73/05/1224577305.db2.gz JDALPUYNAUTVMM-RTBURBONSA-N 4 1 373.545 0.671 20 0 FCADMP N[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727157 1224579800 /nfs/dbraw/zinc/57/98/00/1224579800.db2.gz YEVBSUYTYJDGKH-GHTZIAJQSA-N 3 1 371.529 0.295 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001129384917 1200090274 /nfs/dbraw/zinc/09/02/74/1200090274.db2.gz BSTGPSDMOAMSNT-CVEARBPZSA-N 2 1 364.469 0.855 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294802 1200153276 /nfs/dbraw/zinc/15/32/76/1200153276.db2.gz TTZLBYBDPKPHPH-NCOADZHNSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294802 1200153281 /nfs/dbraw/zinc/15/32/81/1200153281.db2.gz TTZLBYBDPKPHPH-NCOADZHNSA-N 2 1 362.518 0.964 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219765311 1224601445 /nfs/dbraw/zinc/60/14/45/1224601445.db2.gz YTPYUGXLGGMXHJ-MSOLQXFVSA-N 2 1 357.502 0.404 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001219765311 1224601447 /nfs/dbraw/zinc/60/14/47/1224601447.db2.gz YTPYUGXLGGMXHJ-MSOLQXFVSA-N 2 1 357.502 0.404 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1 ZINC001109649785 1200441997 /nfs/dbraw/zinc/44/19/97/1200441997.db2.gz DGEYHBHHKOJYKY-IKGGRYGDSA-N 2 1 360.506 0.958 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001109654167 1200445721 /nfs/dbraw/zinc/44/57/21/1200445721.db2.gz ZNCCWDOUSPJSGW-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109719865 1200486945 /nfs/dbraw/zinc/48/69/45/1200486945.db2.gz PCKJIQRTFCMEAR-DRMAHVMPSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109719865 1200486951 /nfs/dbraw/zinc/48/69/51/1200486951.db2.gz PCKJIQRTFCMEAR-DRMAHVMPSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109719865 1200486956 /nfs/dbraw/zinc/48/69/56/1200486956.db2.gz PCKJIQRTFCMEAR-DRMAHVMPSA-N 2 1 371.497 0.929 20 0 FCADMP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793159 1224615827 /nfs/dbraw/zinc/61/58/27/1224615827.db2.gz AVUBTMNAUUOXIY-JXFKEZNVSA-N 2 1 364.534 0.868 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219796319 1224616896 /nfs/dbraw/zinc/61/68/96/1224616896.db2.gz VMEKNILJWKWTDP-RBUKOAKNSA-N 2 1 363.550 0.535 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843129 1200555723 /nfs/dbraw/zinc/55/57/23/1200555723.db2.gz DBKKFORNJHNRHE-OWSLCNJRSA-N 2 1 369.506 0.218 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843129 1200555728 /nfs/dbraw/zinc/55/57/28/1200555728.db2.gz DBKKFORNJHNRHE-OWSLCNJRSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001219800269 1224619702 /nfs/dbraw/zinc/61/97/02/1224619702.db2.gz JKSMDUBZZCIUSJ-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O ZINC001219800269 1224619707 /nfs/dbraw/zinc/61/97/07/1224619707.db2.gz JKSMDUBZZCIUSJ-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(COC(=O)N2)CC1)c1ccccc1 ZINC000771783683 1200636751 /nfs/dbraw/zinc/63/67/51/1200636751.db2.gz BCQWWJHOWUUYON-MRXNPFEDSA-N 2 1 360.458 0.980 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cc1=O ZINC001109977653 1200659484 /nfs/dbraw/zinc/65/94/84/1200659484.db2.gz SWQRUBLAUTXMCC-IKGGRYGDSA-N 2 1 362.474 0.185 20 0 FCADMP COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977429 1200659734 /nfs/dbraw/zinc/65/97/34/1200659734.db2.gz IWIVFTOMGVGDHP-IKGGRYGDSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977429 1200659739 /nfs/dbraw/zinc/65/97/39/1200659739.db2.gz IWIVFTOMGVGDHP-IKGGRYGDSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)ccn1 ZINC001109977558 1200660625 /nfs/dbraw/zinc/66/06/25/1200660625.db2.gz ORDSFFCYWPJSJL-IKGGRYGDSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)ccn1 ZINC001109977558 1200660639 /nfs/dbraw/zinc/66/06/39/1200660639.db2.gz ORDSFFCYWPJSJL-IKGGRYGDSA-N 2 1 362.474 0.890 20 0 FCADMP [NH3+][C@H](Cc1ccccc1F)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806344 1224625455 /nfs/dbraw/zinc/62/54/55/1224625455.db2.gz SJPUKBFBVWRUSV-OAHLLOKOSA-N 2 1 359.405 0.062 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110002794 1200694965 /nfs/dbraw/zinc/69/49/65/1200694965.db2.gz VLADJRBBXFAAFH-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP O=C(Cc1ccc2c(c1)C[NH2+]CC2)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806397 1224626250 /nfs/dbraw/zinc/62/62/50/1224626250.db2.gz UYWBDJDLHXQMBY-UHFFFAOYSA-N 2 1 367.453 0.241 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111451 1200863676 /nfs/dbraw/zinc/86/36/76/1200863676.db2.gz YQAGRNLAMGKLTF-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787132437 1200866910 /nfs/dbraw/zinc/86/69/10/1200866910.db2.gz YXXOGVGEONCIOX-DOTOQJQBSA-N 2 1 364.490 0.099 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787123099 1200869281 /nfs/dbraw/zinc/86/92/81/1200869281.db2.gz JZUFFDYDUHRIAZ-RDJZCZTQSA-N 2 1 368.522 0.593 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C2)nc(C)n1 ZINC001090445334 1200986591 /nfs/dbraw/zinc/98/65/91/1200986591.db2.gz IAOCKEWPOYFRRJ-QZTJIDSGSA-N 2 1 369.469 0.891 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793720959 1201256906 /nfs/dbraw/zinc/25/69/06/1201256906.db2.gz RKHJOQSGZCGLKG-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793720959 1201256908 /nfs/dbraw/zinc/25/69/08/1201256908.db2.gz RKHJOQSGZCGLKG-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000793803388 1201267520 /nfs/dbraw/zinc/26/75/20/1201267520.db2.gz QYOWOAQVPAFBNW-CZUORRHYSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000793803388 1201267525 /nfs/dbraw/zinc/26/75/25/1201267525.db2.gz QYOWOAQVPAFBNW-CZUORRHYSA-N 2 1 370.457 0.791 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453606 1201311581 /nfs/dbraw/zinc/31/15/81/1201311581.db2.gz FDYZPLWHFYZHRH-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461179 1201327458 /nfs/dbraw/zinc/32/74/58/1201327458.db2.gz QARBKWONZJQCHW-SJORKVTESA-N 2 1 366.510 0.632 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461179 1201327467 /nfs/dbraw/zinc/32/74/67/1201327467.db2.gz QARBKWONZJQCHW-SJORKVTESA-N 2 1 366.510 0.632 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461179 1201327473 /nfs/dbraw/zinc/32/74/73/1201327473.db2.gz QARBKWONZJQCHW-SJORKVTESA-N 2 1 366.510 0.632 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461179 1201327477 /nfs/dbraw/zinc/32/74/77/1201327477.db2.gz QARBKWONZJQCHW-SJORKVTESA-N 2 1 366.510 0.632 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624004 1201358247 /nfs/dbraw/zinc/35/82/47/1201358247.db2.gz IVJULPCAJWSDOP-YTQUADARSA-N 2 1 370.497 0.801 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624004 1201358250 /nfs/dbraw/zinc/35/82/50/1201358250.db2.gz IVJULPCAJWSDOP-YTQUADARSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624004 1201358260 /nfs/dbraw/zinc/35/82/60/1201358260.db2.gz IVJULPCAJWSDOP-YTQUADARSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624004 1201358267 /nfs/dbraw/zinc/35/82/67/1201358267.db2.gz IVJULPCAJWSDOP-YTQUADARSA-N 2 1 370.497 0.801 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912652 1201424512 /nfs/dbraw/zinc/42/45/12/1201424512.db2.gz UHNWMABDEMQYPC-WCXIOVBPSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912652 1201424517 /nfs/dbraw/zinc/42/45/17/1201424517.db2.gz UHNWMABDEMQYPC-WCXIOVBPSA-N 2 1 364.494 0.385 20 0 FCADMP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894771 1201428432 /nfs/dbraw/zinc/42/84/32/1201428432.db2.gz RXKKIPNUCLSKMB-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129931830 1201434280 /nfs/dbraw/zinc/43/42/80/1201434280.db2.gz BMUYIKYDRCELPG-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129977796 1201460136 /nfs/dbraw/zinc/46/01/36/1201460136.db2.gz GJVMCQXUJQYRJQ-OWCLPIDISA-N 2 1 368.457 0.088 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129977796 1201460137 /nfs/dbraw/zinc/46/01/37/1201460137.db2.gz GJVMCQXUJQYRJQ-OWCLPIDISA-N 2 1 368.457 0.088 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129977736 1201460339 /nfs/dbraw/zinc/46/03/39/1201460339.db2.gz DLQIEXXETUFKBE-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129977736 1201460342 /nfs/dbraw/zinc/46/03/42/1201460342.db2.gz DLQIEXXETUFKBE-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991930 1201470427 /nfs/dbraw/zinc/47/04/27/1201470427.db2.gz CYMIUOJZEDDJSK-CVEARBPZSA-N 2 1 361.450 0.376 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012037 1201471047 /nfs/dbraw/zinc/47/10/47/1201471047.db2.gz LBHSTKATFWWYQZ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086363 1201495084 /nfs/dbraw/zinc/49/50/84/1201495084.db2.gz XQJJCCNFOFTEEU-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130096609 1201499224 /nfs/dbraw/zinc/49/92/24/1201499224.db2.gz MIMRKKXRMPXERU-MSOLQXFVSA-N 2 1 371.489 0.947 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001130106970 1201502400 /nfs/dbraw/zinc/50/24/00/1201502400.db2.gz BOXDOWZRRFNSRT-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001130106970 1201502404 /nfs/dbraw/zinc/50/24/04/1201502404.db2.gz BOXDOWZRRFNSRT-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132815 1201512957 /nfs/dbraw/zinc/51/29/57/1201512957.db2.gz QSWNBRXLNSVSSQ-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132815 1201512960 /nfs/dbraw/zinc/51/29/60/1201512960.db2.gz QSWNBRXLNSVSSQ-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP Cc1cccc(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180555 1201524807 /nfs/dbraw/zinc/52/48/07/1201524807.db2.gz SNIXOOXSTURMHP-HZPDHXFCSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1cccc(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180555 1201524813 /nfs/dbraw/zinc/52/48/13/1201524813.db2.gz SNIXOOXSTURMHP-HZPDHXFCSA-N 2 1 362.474 0.667 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCCCCC2)O1 ZINC001130182655 1201534911 /nfs/dbraw/zinc/53/49/11/1201534911.db2.gz RJIBFJAHMCTVDK-NVXWUHKLSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCCCCC2)O1 ZINC001130182655 1201534915 /nfs/dbraw/zinc/53/49/15/1201534915.db2.gz RJIBFJAHMCTVDK-NVXWUHKLSA-N 2 1 368.522 0.640 20 0 FCADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184204 1201536264 /nfs/dbraw/zinc/53/62/64/1201536264.db2.gz FXSMPTZNXXMZGD-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184204 1201536269 /nfs/dbraw/zinc/53/62/69/1201536269.db2.gz FXSMPTZNXXMZGD-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)C1CC1 ZINC001130220595 1201547692 /nfs/dbraw/zinc/54/76/92/1201547692.db2.gz FYHZKKJTNFVJSB-KCQAQPDRSA-N 2 1 368.457 0.193 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001219934911 1224689459 /nfs/dbraw/zinc/68/94/59/1224689459.db2.gz SMGDLFHQUMTICK-KRWDZBQOSA-N 2 1 368.441 0.475 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940910 1224692093 /nfs/dbraw/zinc/69/20/93/1224692093.db2.gz IDBRGILUCGKQKH-QUCCMNQESA-N 3 1 373.545 0.765 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940910 1224692096 /nfs/dbraw/zinc/69/20/96/1224692096.db2.gz IDBRGILUCGKQKH-QUCCMNQESA-N 2 1 373.545 0.765 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940910 1224692101 /nfs/dbraw/zinc/69/21/01/1224692101.db2.gz IDBRGILUCGKQKH-QUCCMNQESA-N 2 1 373.545 0.765 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941290 1224692348 /nfs/dbraw/zinc/69/23/48/1224692348.db2.gz TWXLYRZPNXLQPG-KRWDZBQOSA-N 2 1 368.522 0.771 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941292 1224692489 /nfs/dbraw/zinc/69/24/89/1224692489.db2.gz UCFPDVZZPJQLDS-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)NC1CCCC1 ZINC001219977276 1224710350 /nfs/dbraw/zinc/71/03/50/1224710350.db2.gz VLWJYPIBOJVYAV-SFHVURJKSA-N 2 1 370.497 0.883 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)NC1CCCC1 ZINC001219977276 1224710356 /nfs/dbraw/zinc/71/03/56/1224710356.db2.gz VLWJYPIBOJVYAV-SFHVURJKSA-N 2 1 370.497 0.883 20 0 FCADMP O=C(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)NC1CCCC1 ZINC001219977275 1224710667 /nfs/dbraw/zinc/71/06/67/1224710667.db2.gz VLWJYPIBOJVYAV-GOSISDBHSA-N 2 1 370.497 0.883 20 0 FCADMP O=C(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)NC1CCCC1 ZINC001219977275 1224710671 /nfs/dbraw/zinc/71/06/71/1224710671.db2.gz VLWJYPIBOJVYAV-GOSISDBHSA-N 2 1 370.497 0.883 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130590132 1202725933 /nfs/dbraw/zinc/72/59/33/1202725933.db2.gz ARQGLMIISHRVFH-CGTJXYLNSA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130609971 1202729642 /nfs/dbraw/zinc/72/96/42/1202729642.db2.gz DOQYWPYGDSRSDK-SOLBZPMBSA-N 2 1 363.506 0.561 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726354 1202768051 /nfs/dbraw/zinc/76/80/51/1202768051.db2.gz ULBJHKZXBJSFQB-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130736783 1202769513 /nfs/dbraw/zinc/76/95/13/1202769513.db2.gz OCYUNYSAJMCDFI-SOLBZPMBSA-N 2 1 363.506 0.681 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC[NH+](C)C)n[nH]2)O1 ZINC001130816152 1202806933 /nfs/dbraw/zinc/80/69/33/1202806933.db2.gz MQZBIVLSPICGRJ-UONOGXRCSA-N 2 1 368.482 0.217 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)C1 ZINC001130817254 1202807770 /nfs/dbraw/zinc/80/77/70/1202807770.db2.gz IMHAWMRLFSRXMJ-MELADBBJSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)C1 ZINC001130817254 1202807771 /nfs/dbraw/zinc/80/77/71/1202807771.db2.gz IMHAWMRLFSRXMJ-MELADBBJSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)C1 ZINC001130817254 1202807773 /nfs/dbraw/zinc/80/77/73/1202807773.db2.gz IMHAWMRLFSRXMJ-MELADBBJSA-N 2 1 368.457 0.542 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCO ZINC001131073533 1202855832 /nfs/dbraw/zinc/85/58/32/1202855832.db2.gz GETWRHDTNKZWLG-HZPDHXFCSA-N 2 1 365.522 0.664 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070512 1202856623 /nfs/dbraw/zinc/85/66/23/1202856623.db2.gz ZDQPRAUHNBLEIE-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1[NH2+]CCCO ZINC001131115335 1202867229 /nfs/dbraw/zinc/86/72/29/1202867229.db2.gz LNRNWYWCERILSW-MDZRGWNJSA-N 2 1 361.490 0.172 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001170548140 1202877954 /nfs/dbraw/zinc/87/79/54/1202877954.db2.gz CFBOGFMXTXIFNI-HZPDHXFCSA-N 2 1 373.501 0.971 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001170548140 1202877958 /nfs/dbraw/zinc/87/79/58/1202877958.db2.gz CFBOGFMXTXIFNI-HZPDHXFCSA-N 2 1 373.501 0.971 20 0 FCADMP Cc1noc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001131555455 1202913547 /nfs/dbraw/zinc/91/35/47/1202913547.db2.gz HADGTSRNVXPDFV-QAPCUYQASA-N 2 1 365.478 0.815 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604669 1202918398 /nfs/dbraw/zinc/91/83/98/1202918398.db2.gz AZPYJWGHJAJLBN-JZXOWHBKSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131608552 1202920683 /nfs/dbraw/zinc/92/06/83/1202920683.db2.gz FQHXNJAFGNJBNQ-AEFFLSMTSA-N 2 1 365.478 0.896 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131608552 1202920687 /nfs/dbraw/zinc/92/06/87/1202920687.db2.gz FQHXNJAFGNJBNQ-AEFFLSMTSA-N 2 1 365.478 0.896 20 0 FCADMP COC(=O)CC[C@@]1(C)NC(=O)N(CN(C)CCCn2cc[nH+]c2C)C1=O ZINC000811761117 1202972936 /nfs/dbraw/zinc/97/29/36/1202972936.db2.gz ZWLVAIRQANGMAA-QGZVFWFLSA-N 2 1 365.434 0.735 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086712025 1202995559 /nfs/dbraw/zinc/99/55/59/1202995559.db2.gz MDJJISBBILIZDT-GVDBMIGSSA-N 2 1 365.522 0.761 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)[C@@H](c2ccccc2)C1 ZINC001134129389 1203014650 /nfs/dbraw/zinc/01/46/50/1203014650.db2.gz IVFCHJALYWJPQD-OTWHNJEPSA-N 2 1 371.485 0.295 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126471 1203015397 /nfs/dbraw/zinc/01/53/97/1203015397.db2.gz SYWAWBCLSLGEKE-SJORKVTESA-N 2 1 359.474 0.063 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)[C@@H](c2ccccc2)C1 ZINC001134126149 1203015836 /nfs/dbraw/zinc/01/58/36/1203015836.db2.gz BAOVYDBMAIGVQB-KURKYZTESA-N 2 1 368.485 0.817 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)no1 ZINC001086739240 1203065564 /nfs/dbraw/zinc/06/55/64/1203065564.db2.gz PEGKXWSMXCBINL-GUTXKFCHSA-N 2 1 363.462 0.503 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086783802 1203091668 /nfs/dbraw/zinc/09/16/68/1203091668.db2.gz QHUPZPZJYGEVHM-ARFHVFGLSA-N 2 1 363.510 0.707 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086785160 1203092051 /nfs/dbraw/zinc/09/20/51/1203092051.db2.gz MEDNQHRVTHATKF-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)[nH]1 ZINC001086785299 1203092150 /nfs/dbraw/zinc/09/21/50/1203092150.db2.gz SBNAFVAMPPSLDD-ARFHVFGLSA-N 2 1 364.494 0.597 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086785157 1203092600 /nfs/dbraw/zinc/09/26/00/1203092600.db2.gz MABAAIMZCAFDDV-GVDBMIGSSA-N 2 1 364.494 0.262 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC001086785086 1203092616 /nfs/dbraw/zinc/09/26/16/1203092616.db2.gz JQNIZHCKRRJVEJ-BBWFWOEESA-N 2 1 363.506 0.904 20 0 FCADMP CC[C@@]([NH3+])(CO)Nc1nccc(C[N@H+]2CC[C@H](CO)C2)c1C(OC)OC ZINC001170857165 1203098590 /nfs/dbraw/zinc/09/85/90/1203098590.db2.gz DHJKFNGEMGYNQC-UGSOOPFHSA-N 2 1 368.478 0.656 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3ncnn3C)C1)C2 ZINC001086803260 1203101355 /nfs/dbraw/zinc/10/13/55/1203101355.db2.gz ZLFLVLJNYIMZFK-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986729 1203130123 /nfs/dbraw/zinc/13/01/23/1203130123.db2.gz NPVLTCVRWFWPHR-WRWLIDTKSA-N 2 1 360.502 0.816 20 0 FCADMP CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC000821328624 1203202893 /nfs/dbraw/zinc/20/28/93/1203202893.db2.gz LZNWEUXNUTZZBK-OTWHNJEPSA-N 2 1 358.486 0.816 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NCCN(C)C(=O)OC)CC2)CC1 ZINC000822772828 1203237589 /nfs/dbraw/zinc/23/75/89/1203237589.db2.gz YRFQMCGHJBTOSB-UHFFFAOYSA-N 2 1 369.510 0.886 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119127 1224776619 /nfs/dbraw/zinc/77/66/19/1224776619.db2.gz AYJYTWBASVMLSO-BBWFWOEESA-N 2 1 371.522 0.056 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119127 1224776629 /nfs/dbraw/zinc/77/66/29/1224776629.db2.gz AYJYTWBASVMLSO-BBWFWOEESA-N 2 1 371.522 0.056 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000825386710 1203314488 /nfs/dbraw/zinc/31/44/88/1203314488.db2.gz IIHJZTFVFUGVLT-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000825386710 1203314492 /nfs/dbraw/zinc/31/44/92/1203314492.db2.gz IIHJZTFVFUGVLT-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000825386710 1203314495 /nfs/dbraw/zinc/31/44/95/1203314495.db2.gz IIHJZTFVFUGVLT-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP O=C([C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001143671072 1203323271 /nfs/dbraw/zinc/32/32/71/1203323271.db2.gz QCSIASKCUHOFOQ-AQNXPRMDSA-N 2 1 373.497 0.945 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844175283 1203337889 /nfs/dbraw/zinc/33/78/89/1203337889.db2.gz JAEDDXQOUHRWHR-KRWDZBQOSA-N 2 1 360.458 0.781 20 0 FCADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000844192565 1203338579 /nfs/dbraw/zinc/33/85/79/1203338579.db2.gz YRYQRLFMKHRAOK-GOSISDBHSA-N 2 1 364.465 0.833 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234098 1224811890 /nfs/dbraw/zinc/81/18/90/1224811890.db2.gz UIGQDKQGNHTNDS-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234098 1224811891 /nfs/dbraw/zinc/81/18/91/1224811891.db2.gz UIGQDKQGNHTNDS-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221184 1204379823 /nfs/dbraw/zinc/37/98/23/1204379823.db2.gz JQPOYLSCPRHXFG-RDJZCZTQSA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221184 1204379826 /nfs/dbraw/zinc/37/98/26/1204379826.db2.gz JQPOYLSCPRHXFG-RDJZCZTQSA-N 2 1 359.474 0.278 20 0 FCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000844221848 1204379861 /nfs/dbraw/zinc/37/98/61/1204379861.db2.gz WCIAAQMWJWNFOR-ALOPSCKCSA-N 2 1 358.490 0.860 20 0 FCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000844221848 1204379866 /nfs/dbraw/zinc/37/98/66/1204379866.db2.gz WCIAAQMWJWNFOR-ALOPSCKCSA-N 2 1 358.490 0.860 20 0 FCADMP CCCCn1nnnc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091036943 1204449746 /nfs/dbraw/zinc/44/97/46/1204449746.db2.gz AFAVRKFPYVLJMN-PRLABOORSA-N 2 1 363.510 0.798 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091036943 1204449756 /nfs/dbraw/zinc/44/97/56/1204449756.db2.gz AFAVRKFPYVLJMN-PRLABOORSA-N 2 1 363.510 0.798 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091036943 1204449765 /nfs/dbraw/zinc/44/97/65/1204449765.db2.gz AFAVRKFPYVLJMN-PRLABOORSA-N 2 1 363.510 0.798 20 0 FCADMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001091095742 1204512996 /nfs/dbraw/zinc/51/29/96/1204512996.db2.gz BOWCTCAWPYFNRC-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001091095742 1204513005 /nfs/dbraw/zinc/51/30/05/1204513005.db2.gz BOWCTCAWPYFNRC-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345507 1224836469 /nfs/dbraw/zinc/83/64/69/1224836469.db2.gz YJVVDBLFYKLFMM-IKGGRYGDSA-N 2 1 366.510 0.177 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345507 1224836476 /nfs/dbraw/zinc/83/64/76/1224836476.db2.gz YJVVDBLFYKLFMM-IKGGRYGDSA-N 2 1 366.510 0.177 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000845992146 1204573221 /nfs/dbraw/zinc/57/32/21/1204573221.db2.gz YHPDKQNCAYFDLZ-HNNXBMFYSA-N 2 1 372.510 0.670 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357889 1224842433 /nfs/dbraw/zinc/84/24/33/1224842433.db2.gz UIZBOOPTNOFTAU-MOPGFXCFSA-N 2 1 363.502 0.991 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372575 1224846230 /nfs/dbraw/zinc/84/62/30/1224846230.db2.gz CTZKNZGNGZWTPQ-MOPGFXCFSA-N 2 1 363.502 0.747 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372575 1224846234 /nfs/dbraw/zinc/84/62/34/1224846234.db2.gz CTZKNZGNGZWTPQ-MOPGFXCFSA-N 2 1 363.502 0.747 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372575 1224846240 /nfs/dbraw/zinc/84/62/40/1224846240.db2.gz CTZKNZGNGZWTPQ-MOPGFXCFSA-N 2 1 363.502 0.747 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565082 1204725997 /nfs/dbraw/zinc/72/59/97/1204725997.db2.gz DRHDZMVOVPIOLS-SUMDDJOVSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565082 1204726001 /nfs/dbraw/zinc/72/60/01/1204726001.db2.gz DRHDZMVOVPIOLS-SUMDDJOVSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565082 1204726005 /nfs/dbraw/zinc/72/60/05/1204726005.db2.gz DRHDZMVOVPIOLS-SUMDDJOVSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565082 1204726008 /nfs/dbraw/zinc/72/60/08/1204726008.db2.gz DRHDZMVOVPIOLS-SUMDDJOVSA-N 2 1 361.490 0.074 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774488 1204806740 /nfs/dbraw/zinc/80/67/40/1204806740.db2.gz WNQUXXAJCNMTPO-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774488 1204806741 /nfs/dbraw/zinc/80/67/41/1204806741.db2.gz WNQUXXAJCNMTPO-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774488 1204806745 /nfs/dbraw/zinc/80/67/45/1204806745.db2.gz WNQUXXAJCNMTPO-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774488 1204806746 /nfs/dbraw/zinc/80/67/46/1204806746.db2.gz WNQUXXAJCNMTPO-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387373 1224853736 /nfs/dbraw/zinc/85/37/36/1224853736.db2.gz IXKBJONAESPVKY-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnnn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091686658 1204822498 /nfs/dbraw/zinc/82/24/98/1204822498.db2.gz JVHPQQNPUVRNOF-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnnn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091686658 1204822499 /nfs/dbraw/zinc/82/24/99/1204822499.db2.gz JVHPQQNPUVRNOF-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686658 1204822500 /nfs/dbraw/zinc/82/25/00/1204822500.db2.gz JVHPQQNPUVRNOF-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686658 1204822502 /nfs/dbraw/zinc/82/25/02/1204822502.db2.gz JVHPQQNPUVRNOF-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091721262 1204833129 /nfs/dbraw/zinc/83/31/29/1204833129.db2.gz YDWGUKIZLYCBLR-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734914 1204836325 /nfs/dbraw/zinc/83/63/25/1204836325.db2.gz ALAVANGJCKJIGJ-GJYPPUQNSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735258 1204836475 /nfs/dbraw/zinc/83/64/75/1204836475.db2.gz NWLNURLWMUNNSU-KHYOSLBOSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735776 1204836936 /nfs/dbraw/zinc/83/69/36/1204836936.db2.gz XIRYGAAWWJGYQF-LBTNJELSSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737690 1204837724 /nfs/dbraw/zinc/83/77/24/1204837724.db2.gz HNFSYBBKIKKELV-POAQFYNOSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452781 1204849860 /nfs/dbraw/zinc/84/98/60/1204849860.db2.gz BHFZAXFOSPAJAK-DOTOQJQBSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273453827 1204852660 /nfs/dbraw/zinc/85/26/60/1204852660.db2.gz LSRJTXAFPQNVDV-DFGXFYAUSA-N 2 1 362.518 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086879904 1204855797 /nfs/dbraw/zinc/85/57/97/1204855797.db2.gz DNQSXQQQLMFPHY-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086879904 1204855799 /nfs/dbraw/zinc/85/57/99/1204855799.db2.gz DNQSXQQQLMFPHY-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)C1 ZINC001086880556 1204856121 /nfs/dbraw/zinc/85/61/21/1204856121.db2.gz FQJREAOOCNSZCL-JZXOWHBKSA-N 2 1 363.506 0.824 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)C1 ZINC001086880556 1204856123 /nfs/dbraw/zinc/85/61/23/1204856123.db2.gz FQJREAOOCNSZCL-JZXOWHBKSA-N 2 1 363.506 0.824 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086880654 1204856227 /nfs/dbraw/zinc/85/62/27/1204856227.db2.gz JFHZHRIOFBPDOI-ZMSDIMECSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880654 1204856228 /nfs/dbraw/zinc/85/62/28/1204856228.db2.gz JFHZHRIOFBPDOI-ZMSDIMECSA-N 2 1 364.494 0.393 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC001086875210 1204858700 /nfs/dbraw/zinc/85/87/00/1204858700.db2.gz KNVQLLREMRWEQX-SOUVJXGZSA-N 2 1 363.510 0.754 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC001086875210 1204858701 /nfs/dbraw/zinc/85/87/01/1204858701.db2.gz KNVQLLREMRWEQX-SOUVJXGZSA-N 2 1 363.510 0.754 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)C1 ZINC001086875310 1204858741 /nfs/dbraw/zinc/85/87/41/1204858741.db2.gz NGWOINDQIWJBEJ-RRFJBIMHSA-N 2 1 363.510 0.754 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)cn1 ZINC001086973299 1204872853 /nfs/dbraw/zinc/87/28/53/1204872853.db2.gz YQPPESXANHXJDE-RCCFBDPRSA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)cn1 ZINC001086973299 1204872857 /nfs/dbraw/zinc/87/28/57/1204872857.db2.gz YQPPESXANHXJDE-RCCFBDPRSA-N 2 1 361.490 0.435 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001086993447 1204884777 /nfs/dbraw/zinc/88/47/77/1204884777.db2.gz AAXXVPCUNLHMBA-BBWFWOEESA-N 2 1 367.469 0.383 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001086993447 1204884780 /nfs/dbraw/zinc/88/47/80/1204884780.db2.gz AAXXVPCUNLHMBA-BBWFWOEESA-N 2 1 367.469 0.383 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087009633 1204897230 /nfs/dbraw/zinc/89/72/30/1204897230.db2.gz QJBIBFHUKBUXET-BPQIPLTHSA-N 2 1 371.489 0.153 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087009775 1204897466 /nfs/dbraw/zinc/89/74/66/1204897466.db2.gz YBGOEVZNTAKRPH-AYOQOUSVSA-N 2 1 368.485 0.851 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001087038508 1204915619 /nfs/dbraw/zinc/91/56/19/1204915619.db2.gz JZEPYLXJBMMXJE-KZNAEPCWSA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001087038508 1204915629 /nfs/dbraw/zinc/91/56/29/1204915629.db2.gz JZEPYLXJBMMXJE-KZNAEPCWSA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087055513 1204935058 /nfs/dbraw/zinc/93/50/58/1204935058.db2.gz RAXLQWZONBZKLV-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083425 1204970909 /nfs/dbraw/zinc/97/09/09/1204970909.db2.gz DVTJFKWRRASOTM-FRFSOERESA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083858 1204972151 /nfs/dbraw/zinc/97/21/51/1204972151.db2.gz VTBUERPWSVFSOF-NUEKZKHPSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083858 1204972159 /nfs/dbraw/zinc/97/21/59/1204972159.db2.gz VTBUERPWSVFSOF-NUEKZKHPSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087100720 1204996890 /nfs/dbraw/zinc/99/68/90/1204996890.db2.gz AQNURDQGUVFOTC-RRFJBIMHSA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087100720 1204996899 /nfs/dbraw/zinc/99/68/99/1204996899.db2.gz AQNURDQGUVFOTC-RRFJBIMHSA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087100973 1204996976 /nfs/dbraw/zinc/99/69/76/1204996976.db2.gz NJBPRUMPMAGQFD-JFIYKMOQSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087100489 1204998055 /nfs/dbraw/zinc/99/80/55/1204998055.db2.gz VPEUAWQSFHVJRB-BRWVUGGUSA-N 2 1 363.506 0.808 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823402 1205043891 /nfs/dbraw/zinc/04/38/91/1205043891.db2.gz ATJBCFNYUUPCPX-ALKREAHSSA-N 2 1 355.442 0.992 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091909926 1205068739 /nfs/dbraw/zinc/06/87/39/1205068739.db2.gz DOBHLFZVLOOOPG-QINHECLXSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012988 1205113566 /nfs/dbraw/zinc/11/35/66/1205113566.db2.gz FYGBFRLLYJQMHU-MDZRGWNJSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012988 1205113570 /nfs/dbraw/zinc/11/35/70/1205113570.db2.gz FYGBFRLLYJQMHU-MDZRGWNJSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012988 1205113577 /nfs/dbraw/zinc/11/35/77/1205113577.db2.gz FYGBFRLLYJQMHU-MDZRGWNJSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013142 1205113941 /nfs/dbraw/zinc/11/39/41/1205113941.db2.gz JAQAXXKXHMCLRP-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013142 1205113943 /nfs/dbraw/zinc/11/39/43/1205113943.db2.gz JAQAXXKXHMCLRP-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013142 1205113945 /nfs/dbraw/zinc/11/39/45/1205113945.db2.gz JAQAXXKXHMCLRP-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092060752 1205130152 /nfs/dbraw/zinc/13/01/52/1205130152.db2.gz DHZCGXLFSKPQBG-VCBZYWHSSA-N 2 1 359.474 0.675 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092060752 1205130154 /nfs/dbraw/zinc/13/01/54/1205130154.db2.gz DHZCGXLFSKPQBG-VCBZYWHSSA-N 2 1 359.474 0.675 20 0 FCADMP C[NH+](C)[C@](C)(C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001092190912 1205188557 /nfs/dbraw/zinc/18/85/57/1205188557.db2.gz ZSUHARXCHIRQME-UXPWSPDFSA-N 2 1 358.486 0.729 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201100 1205195146 /nfs/dbraw/zinc/19/51/46/1205195146.db2.gz VNDVILAWJNXJDH-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201100 1205195153 /nfs/dbraw/zinc/19/51/53/1205195153.db2.gz VNDVILAWJNXJDH-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201100 1205195156 /nfs/dbraw/zinc/19/51/56/1205195156.db2.gz VNDVILAWJNXJDH-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201100 1205195158 /nfs/dbraw/zinc/19/51/58/1205195158.db2.gz VNDVILAWJNXJDH-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273053 1205220587 /nfs/dbraw/zinc/22/05/87/1205220587.db2.gz LAOCHOLDILPZIK-QKLQHJQFSA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273053 1205220594 /nfs/dbraw/zinc/22/05/94/1205220594.db2.gz LAOCHOLDILPZIK-QKLQHJQFSA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273053 1205220601 /nfs/dbraw/zinc/22/06/01/1205220601.db2.gz LAOCHOLDILPZIK-QKLQHJQFSA-N 2 1 358.486 0.617 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092277978 1205224265 /nfs/dbraw/zinc/22/42/65/1205224265.db2.gz AVTABLYIWLJPFW-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092277978 1205224270 /nfs/dbraw/zinc/22/42/70/1205224270.db2.gz AVTABLYIWLJPFW-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300030 1205233772 /nfs/dbraw/zinc/23/37/72/1205233772.db2.gz PSPUECJMSFNXMT-UZLBHIALSA-N 2 1 358.486 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293183 1205257346 /nfs/dbraw/zinc/25/73/46/1205257346.db2.gz XGZPTXOZHAEYBE-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293183 1205257349 /nfs/dbraw/zinc/25/73/49/1205257349.db2.gz XGZPTXOZHAEYBE-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293183 1205257353 /nfs/dbraw/zinc/25/73/53/1205257353.db2.gz XGZPTXOZHAEYBE-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293183 1205257355 /nfs/dbraw/zinc/25/73/55/1205257355.db2.gz XGZPTXOZHAEYBE-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092376146 1205277086 /nfs/dbraw/zinc/27/70/86/1205277086.db2.gz RATBUTBJXPVDCC-OWCLPIDISA-N 2 1 361.490 0.974 20 0 FCADMP CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092376146 1205277089 /nfs/dbraw/zinc/27/70/89/1205277089.db2.gz RATBUTBJXPVDCC-OWCLPIDISA-N 2 1 361.490 0.974 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620574 1205330180 /nfs/dbraw/zinc/33/01/80/1205330180.db2.gz OYTKWFKQZFEMFA-KBUPBQIOSA-N 2 1 365.478 0.740 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620574 1205330181 /nfs/dbraw/zinc/33/01/81/1205330181.db2.gz OYTKWFKQZFEMFA-KBUPBQIOSA-N 2 1 365.478 0.740 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620574 1205330182 /nfs/dbraw/zinc/33/01/82/1205330182.db2.gz OYTKWFKQZFEMFA-KBUPBQIOSA-N 2 1 365.478 0.740 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620574 1205330184 /nfs/dbraw/zinc/33/01/84/1205330184.db2.gz OYTKWFKQZFEMFA-KBUPBQIOSA-N 2 1 365.478 0.740 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672044 1205336081 /nfs/dbraw/zinc/33/60/81/1205336081.db2.gz UXHHYCWXLMFELZ-IXDOHACOSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672044 1205336083 /nfs/dbraw/zinc/33/60/83/1205336083.db2.gz UXHHYCWXLMFELZ-IXDOHACOSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092672044 1205336085 /nfs/dbraw/zinc/33/60/85/1205336085.db2.gz UXHHYCWXLMFELZ-IXDOHACOSA-N 2 1 364.534 0.927 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675030 1205336688 /nfs/dbraw/zinc/33/66/88/1205336688.db2.gz BCDKUOLZQIIABT-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675030 1205336693 /nfs/dbraw/zinc/33/66/93/1205336693.db2.gz BCDKUOLZQIIABT-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675030 1205336697 /nfs/dbraw/zinc/33/66/97/1205336697.db2.gz BCDKUOLZQIIABT-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774913 1205354540 /nfs/dbraw/zinc/35/45/40/1205354540.db2.gz ZECZCQZMVQXGMD-HZPDHXFCSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001093085314 1206014574 /nfs/dbraw/zinc/01/45/74/1206014574.db2.gz UTKPADSQBVIKLB-HUUCEWRRSA-N 2 1 370.457 0.653 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001093085314 1206014578 /nfs/dbraw/zinc/01/45/78/1206014578.db2.gz UTKPADSQBVIKLB-HUUCEWRRSA-N 2 1 370.457 0.653 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133538 1206032876 /nfs/dbraw/zinc/03/28/76/1206032876.db2.gz ISAZKLCVCGPWJO-ZIAGYGMSSA-N 2 1 361.446 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133538 1206032879 /nfs/dbraw/zinc/03/28/79/1206032879.db2.gz ISAZKLCVCGPWJO-ZIAGYGMSSA-N 2 1 361.446 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193574 1206053333 /nfs/dbraw/zinc/05/33/33/1206053333.db2.gz KOXZFRHFPLRQRE-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193574 1206053335 /nfs/dbraw/zinc/05/33/35/1206053335.db2.gz KOXZFRHFPLRQRE-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193574 1206053339 /nfs/dbraw/zinc/05/33/39/1206053339.db2.gz KOXZFRHFPLRQRE-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209198 1206057364 /nfs/dbraw/zinc/05/73/64/1206057364.db2.gz XQVYYEGVPHBNCE-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209198 1206057366 /nfs/dbraw/zinc/05/73/66/1206057366.db2.gz XQVYYEGVPHBNCE-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209198 1206057368 /nfs/dbraw/zinc/05/73/68/1206057368.db2.gz XQVYYEGVPHBNCE-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209198 1206057371 /nfs/dbraw/zinc/05/73/71/1206057371.db2.gz XQVYYEGVPHBNCE-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001093290885 1206074281 /nfs/dbraw/zinc/07/42/81/1206074281.db2.gz CIGDIGZMLBJYJB-YUELXQCFSA-N 2 1 361.446 0.071 20 0 FCADMP CC(C)[C@H]1N(C(=O)CC[NH+]2CCOCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093468951 1206085609 /nfs/dbraw/zinc/08/56/09/1206085609.db2.gz CVTLECDIPPLZMZ-PSBWJHGTSA-N 2 1 371.497 0.644 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110148012 1206100492 /nfs/dbraw/zinc/10/04/92/1206100492.db2.gz CPJVNFYOXWGLOT-UGUYLWEFSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110148012 1206100494 /nfs/dbraw/zinc/10/04/94/1206100494.db2.gz CPJVNFYOXWGLOT-UGUYLWEFSA-N 2 1 362.474 0.389 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093826047 1206123792 /nfs/dbraw/zinc/12/37/92/1206123792.db2.gz ZMZKMAYJENFMMK-BFYDXBDKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093824413 1206123869 /nfs/dbraw/zinc/12/38/69/1206123869.db2.gz UEDIZLZAUUEHGF-MGPQQGTHSA-N 2 1 358.450 0.168 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001093825990 1206124304 /nfs/dbraw/zinc/12/43/04/1206124304.db2.gz VVTVCCQWWZFSFT-HUUCEWRRSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001093865023 1206136940 /nfs/dbraw/zinc/13/69/40/1206136940.db2.gz BQXUQQBFLOOCHF-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001093921466 1206149785 /nfs/dbraw/zinc/14/97/85/1206149785.db2.gz SXAGIOWWXZGSTO-UKRRQHHQSA-N 2 1 360.466 0.643 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001093921469 1206150203 /nfs/dbraw/zinc/15/02/03/1206150203.db2.gz UATSIKOLMGCHLJ-UKRRQHHQSA-N 2 1 360.466 0.472 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1 ZINC001093921593 1206150241 /nfs/dbraw/zinc/15/02/41/1206150241.db2.gz WSRYCOWVQKYNSC-FVQBIDKESA-N 2 1 357.462 0.655 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001094042210 1206174169 /nfs/dbraw/zinc/17/41/69/1206174169.db2.gz NYTPEECWBIBVGB-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094043957 1206175261 /nfs/dbraw/zinc/17/52/61/1206175261.db2.gz FMLVPHLPGXKYDV-KFWWJZLASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1nncn1C ZINC001094111059 1206185854 /nfs/dbraw/zinc/18/58/54/1206185854.db2.gz WZJCFALFWCVAKO-BZUAXINKSA-N 2 1 364.494 0.283 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094113933 1206186218 /nfs/dbraw/zinc/18/62/18/1206186218.db2.gz LMPXBPVXUZXABY-HZPDHXFCSA-N 2 1 364.494 0.204 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094166017 1206198012 /nfs/dbraw/zinc/19/80/12/1206198012.db2.gz IBEJUGUSUIFDDV-OWCLPIDISA-N 2 1 363.510 0.609 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094231766 1206208332 /nfs/dbraw/zinc/20/83/32/1206208332.db2.gz AWNMWDMKFZAEGM-JFIYKMOQSA-N 2 1 363.506 0.808 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094231766 1206208333 /nfs/dbraw/zinc/20/83/33/1206208333.db2.gz AWNMWDMKFZAEGM-JFIYKMOQSA-N 2 1 363.506 0.808 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)[NH+]1CCCC1 ZINC001094242667 1206210128 /nfs/dbraw/zinc/21/01/28/1206210128.db2.gz MIAJUBHARUHSKS-INMHGKMJSA-N 2 1 363.510 0.515 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220568379 1224936197 /nfs/dbraw/zinc/93/61/97/1224936197.db2.gz KFUGLQPXWNPEFS-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220568379 1224936207 /nfs/dbraw/zinc/93/62/07/1224936207.db2.gz KFUGLQPXWNPEFS-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220568379 1224936219 /nfs/dbraw/zinc/93/62/19/1224936219.db2.gz KFUGLQPXWNPEFS-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220568379 1224936227 /nfs/dbraw/zinc/93/62/27/1224936227.db2.gz KFUGLQPXWNPEFS-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445282 1206228098 /nfs/dbraw/zinc/22/80/98/1206228098.db2.gz UPNTVPDFKDUZIM-VQIMIIECSA-N 2 1 362.518 0.969 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@]13CCC[C@H]1[N@H+](CC(N)=O)CC3)CC2 ZINC001094498102 1206231930 /nfs/dbraw/zinc/23/19/30/1206231930.db2.gz YCKVQHQFGDLERZ-ZSZQSSIHSA-N 2 1 359.474 0.600 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@]13CCC[C@H]1[N@@H+](CC(N)=O)CC3)CC2 ZINC001094498102 1206231931 /nfs/dbraw/zinc/23/19/31/1206231931.db2.gz YCKVQHQFGDLERZ-ZSZQSSIHSA-N 2 1 359.474 0.600 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560609 1206238175 /nfs/dbraw/zinc/23/81/75/1206238175.db2.gz TXRZVJPFWXKPOA-SJLPKXTDSA-N 2 1 358.490 0.772 20 0 FCADMP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC001094547844 1206238553 /nfs/dbraw/zinc/23/85/53/1206238553.db2.gz HAWQTZNFIOCTHA-VQIMIIECSA-N 2 1 368.441 0.727 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC001094547844 1206238559 /nfs/dbraw/zinc/23/85/59/1206238559.db2.gz HAWQTZNFIOCTHA-VQIMIIECSA-N 2 1 368.441 0.727 20 0 FCADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2=O)C1 ZINC001094791051 1206248512 /nfs/dbraw/zinc/24/85/12/1206248512.db2.gz XUPMVBDBVGHMDH-QRQLOZEOSA-N 2 1 370.497 0.753 20 0 FCADMP CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2=O)C1 ZINC001094791051 1206248516 /nfs/dbraw/zinc/24/85/16/1206248516.db2.gz XUPMVBDBVGHMDH-QRQLOZEOSA-N 2 1 370.497 0.753 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500241 1206249252 /nfs/dbraw/zinc/24/92/52/1206249252.db2.gz JKVHXRZPIJUXJV-BRWVUGGUSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500241 1206249253 /nfs/dbraw/zinc/24/92/53/1206249253.db2.gz JKVHXRZPIJUXJV-BRWVUGGUSA-N 2 1 370.538 0.742 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001172111140 1206257668 /nfs/dbraw/zinc/25/76/68/1206257668.db2.gz SMOSTLWAQUGXJW-CUSZFKRNSA-N 2 1 374.485 0.510 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001172111140 1206257673 /nfs/dbraw/zinc/25/76/73/1206257673.db2.gz SMOSTLWAQUGXJW-CUSZFKRNSA-N 2 1 374.485 0.510 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001172113837 1206257766 /nfs/dbraw/zinc/25/77/66/1206257766.db2.gz NAWWYSKWFGGOTB-CUSZFKRNSA-N 2 1 374.485 0.510 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001172113837 1206257767 /nfs/dbraw/zinc/25/77/67/1206257767.db2.gz NAWWYSKWFGGOTB-CUSZFKRNSA-N 2 1 374.485 0.510 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172678077 1206262928 /nfs/dbraw/zinc/26/29/28/1206262928.db2.gz DFAORIUMTVDADY-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CCOC(=O)[C@H]1CC12CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC2 ZINC001173604466 1206283188 /nfs/dbraw/zinc/28/31/88/1206283188.db2.gz REMBSQALSJBLEE-NTXUUIFSSA-N 2 1 368.478 0.893 20 0 FCADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760855 1206288878 /nfs/dbraw/zinc/28/88/78/1206288878.db2.gz KJDYDIUISCUSGU-DZVNLGKHSA-N 2 1 371.493 0.843 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760855 1206288879 /nfs/dbraw/zinc/28/88/79/1206288879.db2.gz KJDYDIUISCUSGU-DZVNLGKHSA-N 2 1 371.493 0.843 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760855 1206288880 /nfs/dbraw/zinc/28/88/80/1206288880.db2.gz KJDYDIUISCUSGU-DZVNLGKHSA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760855 1206288881 /nfs/dbraw/zinc/28/88/81/1206288881.db2.gz KJDYDIUISCUSGU-DZVNLGKHSA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760855 1206288882 /nfs/dbraw/zinc/28/88/82/1206288882.db2.gz KJDYDIUISCUSGU-DZVNLGKHSA-N 2 1 371.493 0.843 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001178731785 1206363529 /nfs/dbraw/zinc/36/35/29/1206363529.db2.gz CVUJPCLOOFLEGH-GDBMZVCRSA-N 2 1 364.450 0.419 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982844 1206369251 /nfs/dbraw/zinc/36/92/51/1206369251.db2.gz RZWISHOMPXNMSE-FXUDXRNXSA-N 2 1 368.522 0.589 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982844 1206369253 /nfs/dbraw/zinc/36/92/53/1206369253.db2.gz RZWISHOMPXNMSE-FXUDXRNXSA-N 2 1 368.522 0.589 20 0 FCADMP NC(=O)C1CC[NH+](CCC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001180613924 1206396608 /nfs/dbraw/zinc/39/66/08/1206396608.db2.gz XSSRBRSXRDBZJN-RUYXUALKSA-N 2 1 370.497 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1nccn1C ZINC001181896115 1206416892 /nfs/dbraw/zinc/41/68/92/1206416892.db2.gz JHXPDZJRRPMLFO-YKTARERQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000774886845 1206481591 /nfs/dbraw/zinc/48/15/91/1206481591.db2.gz BEKDRLNEHGRTNV-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512798 1206490515 /nfs/dbraw/zinc/49/05/15/1206490515.db2.gz YDYRISAMLIHXAR-IAGOWNOFSA-N 2 1 360.502 0.483 20 0 FCADMP Cc1cccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001186039581 1206491055 /nfs/dbraw/zinc/49/10/55/1206491055.db2.gz YPLNRYMLFSPBIV-BJLQDIEVSA-N 2 1 359.470 0.916 20 0 FCADMP Cc1cccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001186039581 1206491056 /nfs/dbraw/zinc/49/10/56/1206491056.db2.gz YPLNRYMLFSPBIV-BJLQDIEVSA-N 2 1 359.470 0.916 20 0 FCADMP C[N@@H+](C1CN(C(=O)c2ccccc2N2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001186898364 1206509051 /nfs/dbraw/zinc/50/90/51/1206509051.db2.gz QGQSXJRQQHKFDS-INIZCTEOSA-N 2 1 358.486 0.984 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327115 1206520900 /nfs/dbraw/zinc/52/09/00/1206520900.db2.gz WUIPIFIMNXTQNP-RCCFBDPRSA-N 2 1 371.485 0.325 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001188107077 1207423388 /nfs/dbraw/zinc/42/33/88/1207423388.db2.gz GQYVWWUOBBTVSG-HRCADAONSA-N 2 1 369.485 0.224 20 0 FCADMP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1)C1CC1 ZINC001188387182 1207448799 /nfs/dbraw/zinc/44/87/99/1207448799.db2.gz BRYZMOLOEFSDDT-LZLYRXPVSA-N 2 1 371.485 0.504 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405645 1207454252 /nfs/dbraw/zinc/45/42/52/1207454252.db2.gz LQDXASNWVTZCSF-RYQLBKOJSA-N 2 1 371.485 0.719 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001188561487 1207463133 /nfs/dbraw/zinc/46/31/33/1207463133.db2.gz IFTKWVKZRJKZDT-OKZBNKHCSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001188561487 1207463135 /nfs/dbraw/zinc/46/31/35/1207463135.db2.gz IFTKWVKZRJKZDT-OKZBNKHCSA-N 2 1 364.490 0.758 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568051 1207464390 /nfs/dbraw/zinc/46/43/90/1207464390.db2.gz BISJDQWPFWUFMG-RLFYNMQTSA-N 2 1 362.474 0.302 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568051 1207464392 /nfs/dbraw/zinc/46/43/92/1207464392.db2.gz BISJDQWPFWUFMG-RLFYNMQTSA-N 2 1 362.474 0.302 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188568997 1207464419 /nfs/dbraw/zinc/46/44/19/1207464419.db2.gz WRVKNOUQGNDJRS-MAUKXSAKSA-N 2 1 362.474 0.304 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188568997 1207464422 /nfs/dbraw/zinc/46/44/22/1207464422.db2.gz WRVKNOUQGNDJRS-MAUKXSAKSA-N 2 1 362.474 0.304 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001189530882 1207568964 /nfs/dbraw/zinc/56/89/64/1207568964.db2.gz TWJYEXFZEBRXSK-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669640 1207580263 /nfs/dbraw/zinc/58/02/63/1207580263.db2.gz YVXBDFDWLJCNMI-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669640 1207580270 /nfs/dbraw/zinc/58/02/70/1207580270.db2.gz YVXBDFDWLJCNMI-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669640 1207580275 /nfs/dbraw/zinc/58/02/75/1207580275.db2.gz YVXBDFDWLJCNMI-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669640 1207580279 /nfs/dbraw/zinc/58/02/79/1207580279.db2.gz YVXBDFDWLJCNMI-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189732013 1207594963 /nfs/dbraw/zinc/59/49/63/1207594963.db2.gz CRXBKBDEGRMRNX-RBUKOAKNSA-N 2 1 365.518 0.650 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189820020 1207605200 /nfs/dbraw/zinc/60/52/00/1207605200.db2.gz KPQZHZWGUJZICB-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189819920 1207605684 /nfs/dbraw/zinc/60/56/84/1207605684.db2.gz DZUYRUHXVVDUJU-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189819920 1207605688 /nfs/dbraw/zinc/60/56/88/1207605688.db2.gz DZUYRUHXVVDUJU-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189819920 1207605693 /nfs/dbraw/zinc/60/56/93/1207605693.db2.gz DZUYRUHXVVDUJU-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189819920 1207605698 /nfs/dbraw/zinc/60/56/98/1207605698.db2.gz DZUYRUHXVVDUJU-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801161 1207609918 /nfs/dbraw/zinc/60/99/18/1207609918.db2.gz ALZBTMXACLYVRX-JKSUJKDBSA-N 2 1 368.522 0.402 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801161 1207609926 /nfs/dbraw/zinc/60/99/26/1207609926.db2.gz ALZBTMXACLYVRX-JKSUJKDBSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801409 1207610102 /nfs/dbraw/zinc/61/01/02/1207610102.db2.gz FIVYTEWEZYWTLB-JKSUJKDBSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801409 1207610116 /nfs/dbraw/zinc/61/01/16/1207610116.db2.gz FIVYTEWEZYWTLB-JKSUJKDBSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801217 1207610872 /nfs/dbraw/zinc/61/08/72/1207610872.db2.gz BZRWFDAKLLZSQZ-IXDOHACOSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801217 1207610874 /nfs/dbraw/zinc/61/08/74/1207610874.db2.gz BZRWFDAKLLZSQZ-IXDOHACOSA-N 2 1 362.518 0.776 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872270 1207614249 /nfs/dbraw/zinc/61/42/49/1207614249.db2.gz XLRUYDPIJHQYBV-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872270 1207614252 /nfs/dbraw/zinc/61/42/52/1207614252.db2.gz XLRUYDPIJHQYBV-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690905 /nfs/dbraw/zinc/69/09/05/1207690905.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 1 358.486 0.915 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690910 /nfs/dbraw/zinc/69/09/10/1207690910.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 1 358.486 0.915 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688477 1225014910 /nfs/dbraw/zinc/01/49/10/1225014910.db2.gz IBYRTVJSXUWKFD-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688477 1225014916 /nfs/dbraw/zinc/01/49/16/1225014916.db2.gz IBYRTVJSXUWKFD-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688477 1225014920 /nfs/dbraw/zinc/01/49/20/1225014920.db2.gz IBYRTVJSXUWKFD-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688477 1225014927 /nfs/dbraw/zinc/01/49/27/1225014927.db2.gz IBYRTVJSXUWKFD-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220688612 1225016446 /nfs/dbraw/zinc/01/64/46/1225016446.db2.gz MNSLBVFIXFHPDW-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220688612 1225016458 /nfs/dbraw/zinc/01/64/58/1225016458.db2.gz MNSLBVFIXFHPDW-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220688612 1225016466 /nfs/dbraw/zinc/01/64/66/1225016466.db2.gz MNSLBVFIXFHPDW-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP COC(=O)[C@H](COC(C)(C)C)NC(=O)NCC1(N(C)C)CC[NH+](C)CC1 ZINC001191922029 1207813009 /nfs/dbraw/zinc/81/30/09/1207813009.db2.gz FSZVXJGWNZKYLP-AWEZNQCLSA-N 2 1 372.510 0.668 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193447356 1207873280 /nfs/dbraw/zinc/87/32/80/1207873280.db2.gz PFSPAWPKZCFDFN-KZNAEPCWSA-N 2 1 367.465 0.520 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193447356 1207873282 /nfs/dbraw/zinc/87/32/82/1207873282.db2.gz PFSPAWPKZCFDFN-KZNAEPCWSA-N 2 1 367.465 0.520 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193781167 1207888735 /nfs/dbraw/zinc/88/87/35/1207888735.db2.gz JCXIGMLMKGWXME-QRVBRYPASA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193781167 1207888736 /nfs/dbraw/zinc/88/87/36/1207888736.db2.gz JCXIGMLMKGWXME-QRVBRYPASA-N 2 1 361.486 0.835 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001273666116 1207893975 /nfs/dbraw/zinc/89/39/75/1207893975.db2.gz GTFFVTNKTKFMGG-MRXNPFEDSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)[NH+](C)C ZINC001193960679 1207901002 /nfs/dbraw/zinc/90/10/02/1207901002.db2.gz ATBRCWDBULHYOF-ZACQAIPSSA-N 2 1 361.446 0.470 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001194103041 1207919090 /nfs/dbraw/zinc/91/90/90/1207919090.db2.gz SUFAJLBZRROEHE-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265405 1207928429 /nfs/dbraw/zinc/92/84/29/1207928429.db2.gz RKENNZNHYDFVRB-BRWVUGGUSA-N 2 1 367.465 0.751 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265405 1207928433 /nfs/dbraw/zinc/92/84/33/1207928433.db2.gz RKENNZNHYDFVRB-BRWVUGGUSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265405 1207928437 /nfs/dbraw/zinc/92/84/37/1207928437.db2.gz RKENNZNHYDFVRB-BRWVUGGUSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265405 1207928442 /nfs/dbraw/zinc/92/84/42/1207928442.db2.gz RKENNZNHYDFVRB-BRWVUGGUSA-N 2 1 367.465 0.751 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290373 1207935632 /nfs/dbraw/zinc/93/56/32/1207935632.db2.gz UETFFMNHQPPUAB-RCCFBDPRSA-N 2 1 362.474 0.638 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CCCCC1 ZINC001194961182 1207984483 /nfs/dbraw/zinc/98/44/83/1207984483.db2.gz IFTFAJFOEHAOAF-IAGOWNOFSA-N 2 1 363.506 0.557 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CCCCC1 ZINC001194961182 1207984485 /nfs/dbraw/zinc/98/44/85/1207984485.db2.gz IFTFAJFOEHAOAF-IAGOWNOFSA-N 2 1 363.506 0.557 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001195013911 1207985506 /nfs/dbraw/zinc/98/55/06/1207985506.db2.gz NCDHCJXRKRCOBP-IEBWSBKVSA-N 2 1 361.486 0.361 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001195013911 1207985508 /nfs/dbraw/zinc/98/55/08/1207985508.db2.gz NCDHCJXRKRCOBP-IEBWSBKVSA-N 2 1 361.486 0.361 20 0 FCADMP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O)C1CCCCC1 ZINC001194997110 1207987875 /nfs/dbraw/zinc/98/78/75/1207987875.db2.gz MNFFXMWKFPRICX-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O)C1CCCCC1 ZINC001194997110 1207987877 /nfs/dbraw/zinc/98/78/77/1207987877.db2.gz MNFFXMWKFPRICX-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CCCCC1 ZINC001194997110 1207987880 /nfs/dbraw/zinc/98/78/80/1207987880.db2.gz MNFFXMWKFPRICX-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CCCCC1 ZINC001194997110 1207987882 /nfs/dbraw/zinc/98/78/82/1207987882.db2.gz MNFFXMWKFPRICX-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221674 1208011158 /nfs/dbraw/zinc/01/11/58/1208011158.db2.gz AYJYTWBASVMLSO-BRWVUGGUSA-N 2 1 371.522 0.056 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221674 1208011160 /nfs/dbraw/zinc/01/11/60/1208011160.db2.gz AYJYTWBASVMLSO-BRWVUGGUSA-N 2 1 371.522 0.056 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195708069 1208036093 /nfs/dbraw/zinc/03/60/93/1208036093.db2.gz DHGMGJMQVPBRPO-BRWVUGGUSA-N 2 1 370.538 0.523 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195708069 1208036095 /nfs/dbraw/zinc/03/60/95/1208036095.db2.gz DHGMGJMQVPBRPO-BRWVUGGUSA-N 2 1 370.538 0.523 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001195702116 1208036142 /nfs/dbraw/zinc/03/61/42/1208036142.db2.gz YUXAFZCBKABYAF-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196177238 1208064103 /nfs/dbraw/zinc/06/41/03/1208064103.db2.gz UIZBOOPTNOFTAU-RTBURBONSA-N 2 1 363.502 0.991 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196222387 1208067946 /nfs/dbraw/zinc/06/79/46/1208067946.db2.gz MPEMRTZBFBJYPM-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196222387 1208067949 /nfs/dbraw/zinc/06/79/49/1208067949.db2.gz MPEMRTZBFBJYPM-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307157 1208071137 /nfs/dbraw/zinc/07/11/37/1208071137.db2.gz LYNIUWHMGGMNTC-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307157 1208071140 /nfs/dbraw/zinc/07/11/40/1208071140.db2.gz LYNIUWHMGGMNTC-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196299994 1208073726 /nfs/dbraw/zinc/07/37/26/1208073726.db2.gz QFAGQWCSQCZKBD-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196299994 1208073729 /nfs/dbraw/zinc/07/37/29/1208073729.db2.gz QFAGQWCSQCZKBD-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196299994 1208073732 /nfs/dbraw/zinc/07/37/32/1208073732.db2.gz QFAGQWCSQCZKBD-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)n1ccnc1 ZINC001196459855 1208085798 /nfs/dbraw/zinc/08/57/98/1208085798.db2.gz DOKMGOUIXRVSOL-KBRIMQKVSA-N 2 1 371.441 0.295 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CC1 ZINC001196526175 1208088543 /nfs/dbraw/zinc/08/85/43/1208088543.db2.gz DXKBYRVSSDDELG-BRWVUGGUSA-N 2 1 364.490 0.983 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CC1 ZINC001196526175 1208088546 /nfs/dbraw/zinc/08/85/46/1208088546.db2.gz DXKBYRVSSDDELG-BRWVUGGUSA-N 2 1 364.490 0.983 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CC1 ZINC001196526176 1208088638 /nfs/dbraw/zinc/08/86/38/1208088638.db2.gz DXKBYRVSSDDELG-ZACQAIPSSA-N 2 1 364.490 0.983 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CC1 ZINC001196526176 1208088640 /nfs/dbraw/zinc/08/86/40/1208088640.db2.gz DXKBYRVSSDDELG-ZACQAIPSSA-N 2 1 364.490 0.983 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1C ZINC001197825846 1208201542 /nfs/dbraw/zinc/20/15/42/1208201542.db2.gz JEXPSOCHNMPJAP-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1C ZINC001197825846 1208201546 /nfs/dbraw/zinc/20/15/46/1208201546.db2.gz JEXPSOCHNMPJAP-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001197826428 1208201848 /nfs/dbraw/zinc/20/18/48/1208201848.db2.gz WXKOTDFYJPOHRH-QZTJIDSGSA-N 2 1 371.522 0.323 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)ccc1C ZINC001197826464 1208201935 /nfs/dbraw/zinc/20/19/35/1208201935.db2.gz YIVZXRWWGJCQHF-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)ccc1C ZINC001197826464 1208201936 /nfs/dbraw/zinc/20/19/36/1208201936.db2.gz YIVZXRWWGJCQHF-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047423 1208213074 /nfs/dbraw/zinc/21/30/74/1208213074.db2.gz LXSDVDRWFMNLON-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047423 1208213077 /nfs/dbraw/zinc/21/30/77/1208213077.db2.gz LXSDVDRWFMNLON-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047423 1208213079 /nfs/dbraw/zinc/21/30/79/1208213079.db2.gz LXSDVDRWFMNLON-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047423 1208213082 /nfs/dbraw/zinc/21/30/82/1208213082.db2.gz LXSDVDRWFMNLON-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001198038519 1208216370 /nfs/dbraw/zinc/21/63/70/1208216370.db2.gz USEPCCXZISNTPS-IAGOWNOFSA-N 2 1 366.510 0.342 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001198038519 1208216373 /nfs/dbraw/zinc/21/63/73/1208216373.db2.gz USEPCCXZISNTPS-IAGOWNOFSA-N 2 1 366.510 0.342 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001198038519 1208216375 /nfs/dbraw/zinc/21/63/75/1208216375.db2.gz USEPCCXZISNTPS-IAGOWNOFSA-N 2 1 366.510 0.342 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024053 1208310029 /nfs/dbraw/zinc/31/00/29/1208310029.db2.gz YUSBZFOJJHBUSB-KZNAEPCWSA-N 2 1 371.522 0.057 20 0 FCADMP CN(C)[C@H](C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O)c1ccccc1 ZINC001199119381 1208322445 /nfs/dbraw/zinc/32/24/45/1208322445.db2.gz CCYFWYGBCFBOBG-QRVBRYPASA-N 2 1 371.485 0.427 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001199350947 1208339094 /nfs/dbraw/zinc/33/90/94/1208339094.db2.gz ZCLPJXOPQPASSG-UHFFFAOYSA-N 2 1 359.474 0.964 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@H]1O ZINC001220764703 1225061392 /nfs/dbraw/zinc/06/13/92/1225061392.db2.gz SWMLUQPJVWSTIY-KURKYZTESA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@H]1O ZINC001220764703 1225061395 /nfs/dbraw/zinc/06/13/95/1225061395.db2.gz SWMLUQPJVWSTIY-KURKYZTESA-N 2 1 365.449 0.553 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)CC1 ZINC001273847501 1208425772 /nfs/dbraw/zinc/42/57/72/1208425772.db2.gz HIXRLFXIVBWRFH-ROUUACIJSA-N 2 1 360.506 0.611 20 0 FCADMP CCCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230484 1208449371 /nfs/dbraw/zinc/44/93/71/1208449371.db2.gz SLVLSLBOLZOJQF-HLLBOEOZSA-N 2 1 368.522 0.591 20 0 FCADMP CCCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230484 1208449372 /nfs/dbraw/zinc/44/93/72/1208449372.db2.gz SLVLSLBOLZOJQF-HLLBOEOZSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001488827328 1208552402 /nfs/dbraw/zinc/55/24/02/1208552402.db2.gz CFEULODTGWRKTP-FDYHWXHSSA-N 2 1 366.491 0.301 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206087 1208669974 /nfs/dbraw/zinc/66/99/74/1208669974.db2.gz KVDGVHFTXPEFHQ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206087 1208669977 /nfs/dbraw/zinc/66/99/77/1208669977.db2.gz KVDGVHFTXPEFHQ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206087 1208669979 /nfs/dbraw/zinc/66/99/79/1208669979.db2.gz KVDGVHFTXPEFHQ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817088 1225086180 /nfs/dbraw/zinc/08/61/80/1225086180.db2.gz NGDDTKVWYSWPBA-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817088 1225086185 /nfs/dbraw/zinc/08/61/85/1225086185.db2.gz NGDDTKVWYSWPBA-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817088 1225086192 /nfs/dbraw/zinc/08/61/92/1225086192.db2.gz NGDDTKVWYSWPBA-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220817088 1225086198 /nfs/dbraw/zinc/08/61/98/1225086198.db2.gz NGDDTKVWYSWPBA-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]C1 ZINC001220827071 1225092379 /nfs/dbraw/zinc/09/23/79/1225092379.db2.gz GMKIWLNJXDYRGP-QGZVFWFLSA-N 2 1 359.426 0.424 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]C1 ZINC001220827071 1225092385 /nfs/dbraw/zinc/09/23/85/1225092385.db2.gz GMKIWLNJXDYRGP-QGZVFWFLSA-N 2 1 359.426 0.424 20 0 FCADMP CCOC(=O)C1=C(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCN2)C[NH2+]C1 ZINC001220827636 1225092922 /nfs/dbraw/zinc/09/29/22/1225092922.db2.gz WEKCGRCVPPQTHU-MRXNPFEDSA-N 2 1 372.469 0.387 20 0 FCADMP CCOC(=O)C1=C(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCN2)C[NH2+]C1 ZINC001220827636 1225092932 /nfs/dbraw/zinc/09/29/32/1225092932.db2.gz WEKCGRCVPPQTHU-MRXNPFEDSA-N 2 1 372.469 0.387 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828928 1225093456 /nfs/dbraw/zinc/09/34/56/1225093456.db2.gz JIECMTDQONDIEC-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828928 1225093465 /nfs/dbraw/zinc/09/34/65/1225093465.db2.gz JIECMTDQONDIEC-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828928 1225093472 /nfs/dbraw/zinc/09/34/72/1225093472.db2.gz JIECMTDQONDIEC-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001489603839 1209032733 /nfs/dbraw/zinc/03/27/33/1209032733.db2.gz OYOPFPXOTBRDTC-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC001489625835 1209057575 /nfs/dbraw/zinc/05/75/75/1209057575.db2.gz KIQHOPFUPKGGEE-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001489662984 1209077619 /nfs/dbraw/zinc/07/76/19/1209077619.db2.gz HWPOUIDFFFLAHG-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC001490051392 1209228565 /nfs/dbraw/zinc/22/85/65/1209228565.db2.gz UDFXGZOIBKXCBU-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001490051392 1209228566 /nfs/dbraw/zinc/22/85/66/1209228566.db2.gz UDFXGZOIBKXCBU-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC001490051392 1209228571 /nfs/dbraw/zinc/22/85/71/1209228571.db2.gz UDFXGZOIBKXCBU-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCc3cncn3C)[C@@H](O)C2)cc1 ZINC001220881901 1225121796 /nfs/dbraw/zinc/12/17/96/1225121796.db2.gz JRASMJKYRCFOSK-MSOLQXFVSA-N 2 1 358.442 0.723 20 0 FCADMP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882283 1225122668 /nfs/dbraw/zinc/12/26/68/1225122668.db2.gz USSCGZPXEXDOBN-BBWFWOEESA-N 2 1 357.454 0.633 20 0 FCADMP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882283 1225122670 /nfs/dbraw/zinc/12/26/70/1225122670.db2.gz USSCGZPXEXDOBN-BBWFWOEESA-N 2 1 357.454 0.633 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3COCC[NH2+]3)CC2)c1 ZINC001220913301 1225136912 /nfs/dbraw/zinc/13/69/12/1225136912.db2.gz OLSHHBHEDPNGTA-KRWDZBQOSA-N 2 1 361.442 0.542 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000850682376 1209480893 /nfs/dbraw/zinc/48/08/93/1209480893.db2.gz PCKQZXHIDHDNGW-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP O=C1[C@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000852334909 1209543622 /nfs/dbraw/zinc/54/36/22/1209543622.db2.gz BIWVQYYSDLKBQF-OKZBNKHCSA-N 2 1 357.454 0.560 20 0 FCADMP O=C1[C@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000852334909 1209543634 /nfs/dbraw/zinc/54/36/34/1209543634.db2.gz BIWVQYYSDLKBQF-OKZBNKHCSA-N 2 1 357.454 0.560 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926559 1225144165 /nfs/dbraw/zinc/14/41/65/1225144165.db2.gz RINQJJWINAMQJU-IBGZPJMESA-N 2 1 374.533 0.160 20 0 FCADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220926316 1225144404 /nfs/dbraw/zinc/14/44/04/1225144404.db2.gz GXBGRWZAJJAEMT-FUHIMQAGSA-N 3 1 358.486 0.585 20 0 FCADMP COc1ccccc1CN1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220926316 1225144408 /nfs/dbraw/zinc/14/44/08/1225144408.db2.gz GXBGRWZAJJAEMT-FUHIMQAGSA-N 2 1 358.486 0.585 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853683404 1209602751 /nfs/dbraw/zinc/60/27/51/1209602751.db2.gz SDJBXRGUMMPMMU-FGTMMUONSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000864884344 1209966926 /nfs/dbraw/zinc/96/69/26/1209966926.db2.gz JASHNKNZOWUTOB-ZHCJQAHYSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000864884344 1209966928 /nfs/dbraw/zinc/96/69/28/1209966928.db2.gz JASHNKNZOWUTOB-ZHCJQAHYSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864884344 1209966930 /nfs/dbraw/zinc/96/69/30/1209966930.db2.gz JASHNKNZOWUTOB-ZHCJQAHYSA-N 2 1 366.481 0.811 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001221071933 1225208816 /nfs/dbraw/zinc/20/88/16/1225208816.db2.gz NIQLKVFMISPCEF-CVEARBPZSA-N 2 1 365.478 0.348 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001221071933 1225208817 /nfs/dbraw/zinc/20/88/17/1225208817.db2.gz NIQLKVFMISPCEF-CVEARBPZSA-N 2 1 365.478 0.348 20 0 FCADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000876751364 1210427187 /nfs/dbraw/zinc/42/71/87/1210427187.db2.gz XIUJTPCKHZIHEX-ZCEIVNQLSA-N 2 1 370.497 0.859 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876755338 1210428103 /nfs/dbraw/zinc/42/81/03/1210428103.db2.gz XUHIRSSZGPVCGE-BRWVUGGUSA-N 2 1 361.490 0.787 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000877228700 1210439910 /nfs/dbraw/zinc/43/99/10/1210439910.db2.gz CNWSYEUBGGYQFY-KRWDZBQOSA-N 2 1 357.458 0.818 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000877228700 1210439915 /nfs/dbraw/zinc/43/99/15/1210439915.db2.gz CNWSYEUBGGYQFY-KRWDZBQOSA-N 2 1 357.458 0.818 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081644 1225213536 /nfs/dbraw/zinc/21/35/36/1225213536.db2.gz RCWCTVZIWBXWQL-MSOLQXFVSA-N 2 1 363.506 0.483 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093682 1225218747 /nfs/dbraw/zinc/21/87/47/1225218747.db2.gz SXFJQJDBMQBAFX-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093682 1225218753 /nfs/dbraw/zinc/21/87/53/1225218753.db2.gz SXFJQJDBMQBAFX-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093682 1225218759 /nfs/dbraw/zinc/21/87/59/1225218759.db2.gz SXFJQJDBMQBAFX-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221093682 1225218763 /nfs/dbraw/zinc/21/87/63/1225218763.db2.gz SXFJQJDBMQBAFX-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cnn(-c4ccccc4)n3)nn2)CC1 ZINC000881227139 1210575305 /nfs/dbraw/zinc/57/53/05/1210575305.db2.gz LJAJNSGTBISAPN-UHFFFAOYSA-N 2 1 352.446 0.873 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000883441739 1210667595 /nfs/dbraw/zinc/66/75/95/1210667595.db2.gz WODZNVUBPSEMRJ-INIZCTEOSA-N 2 1 368.522 0.897 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604026 1210673270 /nfs/dbraw/zinc/67/32/70/1210673270.db2.gz KQUZGIGSWLTWFO-WMZOPIPTSA-N 2 1 371.485 0.730 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604243 1210673879 /nfs/dbraw/zinc/67/38/79/1210673879.db2.gz QWKLBDYPFSEUEU-YJBOKZPZSA-N 2 1 371.485 0.859 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883608727 1210674164 /nfs/dbraw/zinc/67/41/64/1210674164.db2.gz GEAQCPJIKIUBIV-JJRVBVJISA-N 2 1 359.474 0.761 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000883607565 1210674576 /nfs/dbraw/zinc/67/45/76/1210674576.db2.gz ZAEFONWNOPPSHM-QGZVFWFLSA-N 2 1 371.485 0.907 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1C[NH2+]C1 ZINC000883609298 1210674592 /nfs/dbraw/zinc/67/45/92/1210674592.db2.gz SNRNFKZBDXQVEN-INIZCTEOSA-N 2 1 357.458 0.340 20 0 FCADMP C[C@@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC[NH2+]C1 ZINC000883611400 1210675073 /nfs/dbraw/zinc/67/50/73/1210675073.db2.gz XPSSOWCUCITDIZ-FXAWDEMLSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001006342847 1210696631 /nfs/dbraw/zinc/69/66/31/1210696631.db2.gz PQSSAGUIMHRAKK-CKEIUWERSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006342847 1210696633 /nfs/dbraw/zinc/69/66/33/1210696633.db2.gz PQSSAGUIMHRAKK-CKEIUWERSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006342847 1210696635 /nfs/dbraw/zinc/69/66/35/1210696635.db2.gz PQSSAGUIMHRAKK-CKEIUWERSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001006342847 1210696639 /nfs/dbraw/zinc/69/66/39/1210696639.db2.gz PQSSAGUIMHRAKK-CKEIUWERSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000884183097 1210720342 /nfs/dbraw/zinc/72/03/42/1210720342.db2.gz CEOFRQUPERTBBO-QGZVFWFLSA-N 2 1 361.490 0.578 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000884486563 1210737541 /nfs/dbraw/zinc/73/75/41/1210737541.db2.gz ZUPKCMGPERHGAK-PBHICJAKSA-N 2 1 362.474 0.625 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884513969 1210743082 /nfs/dbraw/zinc/74/30/82/1210743082.db2.gz WLHQQWWFFDPLDS-OKZBNKHCSA-N 2 1 356.470 0.730 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532511 1210745218 /nfs/dbraw/zinc/74/52/18/1210745218.db2.gz KUZZTMGLSFJRBR-OQIJWPOYSA-N 2 1 370.497 0.976 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cn1 ZINC000884556822 1210749733 /nfs/dbraw/zinc/74/97/33/1210749733.db2.gz AAIJCQZXVKQOMM-CVEARBPZSA-N 2 1 368.441 0.545 20 0 FCADMP CCC1([NH3+])CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000884559716 1210751182 /nfs/dbraw/zinc/75/11/82/1210751182.db2.gz BVMSXWNZCBKJIQ-UHFFFAOYSA-N 2 1 358.486 0.891 20 0 FCADMP CCC1([NH3+])CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000884559716 1210751184 /nfs/dbraw/zinc/75/11/84/1210751184.db2.gz BVMSXWNZCBKJIQ-UHFFFAOYSA-N 2 1 358.486 0.891 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884576426 1210754726 /nfs/dbraw/zinc/75/47/26/1210754726.db2.gz HIIAFXOLAFHVBK-SJLPKXTDSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577152 1210755573 /nfs/dbraw/zinc/75/55/73/1210755573.db2.gz YPFZELMUCIIFAZ-HZPDHXFCSA-N 2 1 366.506 0.109 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576920 1210755926 /nfs/dbraw/zinc/75/59/26/1210755926.db2.gz TUFQNBHVIRSFCP-QAPCUYQASA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884589051 1210757965 /nfs/dbraw/zinc/75/79/65/1210757965.db2.gz RWALBBKNYMAZGU-ATLSCFEFSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884589051 1210757969 /nfs/dbraw/zinc/75/79/69/1210757969.db2.gz RWALBBKNYMAZGU-ATLSCFEFSA-N 2 1 374.485 0.340 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000884601586 1210760050 /nfs/dbraw/zinc/76/00/50/1210760050.db2.gz PYKFRNJQIGSBMP-SFHVURJKSA-N 2 1 374.485 0.769 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000884601586 1210760055 /nfs/dbraw/zinc/76/00/55/1210760055.db2.gz PYKFRNJQIGSBMP-SFHVURJKSA-N 2 1 374.485 0.769 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884603524 1210761110 /nfs/dbraw/zinc/76/11/10/1210761110.db2.gz LPPNHKXFHDGJJL-QZTJIDSGSA-N 2 1 374.485 0.044 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000884617554 1210763385 /nfs/dbraw/zinc/76/33/85/1210763385.db2.gz OFEVKIVFWCXRJW-KSSFIOAISA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000884617554 1210763387 /nfs/dbraw/zinc/76/33/87/1210763387.db2.gz OFEVKIVFWCXRJW-KSSFIOAISA-N 2 1 374.485 0.767 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884618175 1210763675 /nfs/dbraw/zinc/76/36/75/1210763675.db2.gz YCNUSNRCJJCXPF-QGZVFWFLSA-N 2 1 358.486 0.939 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616982 1210763795 /nfs/dbraw/zinc/76/37/95/1210763795.db2.gz FULRSSNUCJSOGK-CVEARBPZSA-N 2 1 366.506 0.252 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(N2CCCC2)[nH+]1 ZINC000884622082 1210764872 /nfs/dbraw/zinc/76/48/72/1210764872.db2.gz DKBJHVCAIRZWCA-IRXDYDNUSA-N 2 1 371.485 0.959 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626121 1210765414 /nfs/dbraw/zinc/76/54/14/1210765414.db2.gz BCIUEFORGBAFBB-DLBZAZTESA-N 2 1 356.470 0.692 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000884626798 1210765487 /nfs/dbraw/zinc/76/54/87/1210765487.db2.gz VINWIHDHHYCHRD-SQNIBIBYSA-N 2 1 358.486 0.806 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626664 1210765883 /nfs/dbraw/zinc/76/58/83/1210765883.db2.gz RHCUHHHUMILPCR-OKZBNKHCSA-N 2 1 356.470 0.560 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884668831 1210775168 /nfs/dbraw/zinc/77/51/68/1210775168.db2.gz DNEVHTMJWXOTOZ-OWCLPIDISA-N 2 1 360.458 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884674405 1210777185 /nfs/dbraw/zinc/77/71/85/1210777185.db2.gz VEAIUTYOFXODOP-KBAYOESNSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000884706489 1210784648 /nfs/dbraw/zinc/78/46/48/1210784648.db2.gz DXJNNGMGXHCGEE-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000884706489 1210784653 /nfs/dbraw/zinc/78/46/53/1210784653.db2.gz DXJNNGMGXHCGEE-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000884715355 1210785653 /nfs/dbraw/zinc/78/56/53/1210785653.db2.gz QOKCNVMSAKQWML-ZWKOTPCHSA-N 2 1 370.497 0.965 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716275 1210786698 /nfs/dbraw/zinc/78/66/98/1210786698.db2.gz SYGGWVJHUBFJJS-QZTJIDSGSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000884724427 1210789540 /nfs/dbraw/zinc/78/95/40/1210789540.db2.gz SUSLAITVRWXGCG-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000884774455 1210793392 /nfs/dbraw/zinc/79/33/92/1210793392.db2.gz LUFAUXRLOQDSGW-UWWQBHOKSA-N 2 1 374.485 0.625 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833221 1210800426 /nfs/dbraw/zinc/80/04/26/1210800426.db2.gz IOARDAXRRKRMJV-BGTYHANMSA-N 2 1 356.470 0.443 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000884840204 1210800969 /nfs/dbraw/zinc/80/09/69/1210800969.db2.gz GCFCXBHHQUEUBY-HUUCEWRRSA-N 2 1 358.486 0.890 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000884840204 1210800971 /nfs/dbraw/zinc/80/09/71/1210800971.db2.gz GCFCXBHHQUEUBY-HUUCEWRRSA-N 2 1 358.486 0.890 20 0 FCADMP [NH3+][C@@H](CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000884891829 1210803313 /nfs/dbraw/zinc/80/33/13/1210803313.db2.gz OJJLOHDNZXTVCQ-KRWDZBQOSA-N 2 1 358.486 0.759 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884892816 1210803334 /nfs/dbraw/zinc/80/33/34/1210803334.db2.gz ZIBREDKIWIEUHF-QZTJIDSGSA-N 2 1 360.502 0.911 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908910 1210803512 /nfs/dbraw/zinc/80/35/12/1210803512.db2.gz IOWJSRAGJJPOIF-WKILWMFISA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908910 1210803514 /nfs/dbraw/zinc/80/35/14/1210803514.db2.gz IOWJSRAGJJPOIF-WKILWMFISA-N 2 1 367.538 0.105 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)c1 ZINC000884970004 1210805615 /nfs/dbraw/zinc/80/56/15/1210805615.db2.gz BSYNZSJFYOGEFR-MRXNPFEDSA-N 2 1 373.501 0.933 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000884983479 1210807068 /nfs/dbraw/zinc/80/70/68/1210807068.db2.gz JZOPWMPWBQTIKO-GOSISDBHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000884983479 1210807070 /nfs/dbraw/zinc/80/70/70/1210807070.db2.gz JZOPWMPWBQTIKO-GOSISDBHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000884983480 1210807118 /nfs/dbraw/zinc/80/71/18/1210807118.db2.gz JZOPWMPWBQTIKO-SFHVURJKSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000884983480 1210807120 /nfs/dbraw/zinc/80/71/20/1210807120.db2.gz JZOPWMPWBQTIKO-SFHVURJKSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)c1 ZINC000885018770 1210808850 /nfs/dbraw/zinc/80/88/50/1210808850.db2.gz SJZGOEOYPFPEAJ-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)c1 ZINC000885018770 1210808852 /nfs/dbraw/zinc/80/88/52/1210808852.db2.gz SJZGOEOYPFPEAJ-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000885139757 1210811781 /nfs/dbraw/zinc/81/17/81/1210811781.db2.gz LLKMFDSIUNEHCJ-JYJNAYRXSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000885139757 1210811783 /nfs/dbraw/zinc/81/17/83/1210811783.db2.gz LLKMFDSIUNEHCJ-JYJNAYRXSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152562 1210812928 /nfs/dbraw/zinc/81/29/28/1210812928.db2.gz QYIVMXMVWZFSNF-IAGOWNOFSA-N 2 1 358.486 0.806 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156600 1210813752 /nfs/dbraw/zinc/81/37/52/1210813752.db2.gz YQMALQWDMZCQNN-QAPCUYQASA-N 2 1 358.486 0.617 20 0 FCADMP OCCOCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000886751216 1210836349 /nfs/dbraw/zinc/83/63/49/1210836349.db2.gz KRVIIFTYEKAHEU-UHFFFAOYSA-N 2 1 364.486 0.855 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691713674 1210841162 /nfs/dbraw/zinc/84/11/62/1210841162.db2.gz YPFAISKJRYCBFB-HYVNUMGLSA-N 2 1 351.495 0.679 20 0 FCADMP CCN(C(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887067939 1210845037 /nfs/dbraw/zinc/84/50/37/1210845037.db2.gz CEPMTAKDYDLTQN-OAHLLOKOSA-N 2 1 360.458 0.970 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081099 1210846446 /nfs/dbraw/zinc/84/64/46/1210846446.db2.gz LNTPAAWGDVSZCN-VQTJNVASSA-N 2 1 362.518 0.923 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274178528 1210905175 /nfs/dbraw/zinc/90/51/75/1210905175.db2.gz DSNHMYSXDPUJBH-TWOQFEAHSA-N 2 1 362.518 0.920 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889745651 1210946318 /nfs/dbraw/zinc/94/63/18/1210946318.db2.gz XOQDHAVNXIADSD-BRWVUGGUSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889745651 1210946323 /nfs/dbraw/zinc/94/63/23/1210946323.db2.gz XOQDHAVNXIADSD-BRWVUGGUSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000889745651 1210946325 /nfs/dbraw/zinc/94/63/25/1210946325.db2.gz XOQDHAVNXIADSD-BRWVUGGUSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000889745651 1210946329 /nfs/dbraw/zinc/94/63/29/1210946329.db2.gz XOQDHAVNXIADSD-BRWVUGGUSA-N 2 1 367.490 0.319 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)n2C ZINC000889760407 1210947822 /nfs/dbraw/zinc/94/78/22/1210947822.db2.gz FYWFYQHYICFVSQ-CABCVRRESA-N 2 1 372.473 0.706 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)n2)CC1 ZINC000889764801 1210949105 /nfs/dbraw/zinc/94/91/05/1210949105.db2.gz YKEJTLCODGQOEL-ZWKOTPCHSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000889909619 1210956833 /nfs/dbraw/zinc/95/68/33/1210956833.db2.gz BXAAHKHSTTZHMC-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000890034158 1210961857 /nfs/dbraw/zinc/96/18/57/1210961857.db2.gz BVERKFMLRAXXGQ-SFHVURJKSA-N 2 1 371.485 0.731 20 0 FCADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000890034158 1210961865 /nfs/dbraw/zinc/96/18/65/1210961865.db2.gz BVERKFMLRAXXGQ-SFHVURJKSA-N 2 1 371.485 0.731 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC001221188559 1225261432 /nfs/dbraw/zinc/26/14/32/1225261432.db2.gz XMXDQHXHDKXIGJ-SJORKVTESA-N 2 1 362.474 0.247 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC001221188559 1225261436 /nfs/dbraw/zinc/26/14/36/1225261436.db2.gz XMXDQHXHDKXIGJ-SJORKVTESA-N 2 1 362.474 0.247 20 0 FCADMP CC(C)(C)[NH+]1CC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001221196556 1225265050 /nfs/dbraw/zinc/26/50/50/1225265050.db2.gz SLUCLZDWJRKOPR-KRWDZBQOSA-N 2 1 371.485 0.753 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001274907582 1211141737 /nfs/dbraw/zinc/14/17/37/1211141737.db2.gz CTWKZCYQPNFRDY-DKKFBQAASA-N 2 1 361.490 0.499 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001274907582 1211141738 /nfs/dbraw/zinc/14/17/38/1211141738.db2.gz CTWKZCYQPNFRDY-DKKFBQAASA-N 2 1 361.490 0.499 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC1CC1)CC2 ZINC001274924232 1211144962 /nfs/dbraw/zinc/14/49/62/1211144962.db2.gz LKQZDSVMJYKQGT-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC1CC1)CC2 ZINC001274924232 1211144964 /nfs/dbraw/zinc/14/49/64/1211144964.db2.gz LKQZDSVMJYKQGT-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(CO)cc1)C2 ZINC001275177333 1211190273 /nfs/dbraw/zinc/19/02/73/1211190273.db2.gz PBEQFZUUSIJUFE-HXUWFJFHSA-N 2 1 361.486 0.791 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275178534 1211191156 /nfs/dbraw/zinc/19/11/56/1211191156.db2.gz XKROLYCFQCDFMD-KRWDZBQOSA-N 2 1 360.506 0.053 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449021 1211239966 /nfs/dbraw/zinc/23/99/66/1211239966.db2.gz YYBQFFJFXBBCIF-KSSFIOAISA-N 2 1 359.430 0.099 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449021 1211239967 /nfs/dbraw/zinc/23/99/67/1211239967.db2.gz YYBQFFJFXBBCIF-KSSFIOAISA-N 2 1 359.430 0.099 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001275455230 1211241303 /nfs/dbraw/zinc/24/13/03/1211241303.db2.gz HAWOSAMKDQXKGZ-YJBOKZPZSA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455230 1211241307 /nfs/dbraw/zinc/24/13/07/1211241307.db2.gz HAWOSAMKDQXKGZ-YJBOKZPZSA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455230 1211241309 /nfs/dbraw/zinc/24/13/09/1211241309.db2.gz HAWOSAMKDQXKGZ-YJBOKZPZSA-N 2 1 362.430 0.107 20 0 FCADMP CNC(=O)C(C)(C)N1CCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275455961 1211242916 /nfs/dbraw/zinc/24/29/16/1211242916.db2.gz SFWPQMIYOPKHNW-UHFFFAOYSA-N 2 1 359.474 0.833 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510889 1211253086 /nfs/dbraw/zinc/25/30/86/1211253086.db2.gz AYAYOHFKQRZYSY-DNVCBOLYSA-N 2 1 369.506 0.687 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556517 1211256487 /nfs/dbraw/zinc/25/64/87/1211256487.db2.gz MPVHCVMVYLWPIX-LJQANCHMSA-N 2 1 366.506 0.015 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556932 1211256529 /nfs/dbraw/zinc/25/65/29/1211256529.db2.gz QQURYTGUEXGYHA-KXBFYZLASA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557090 1211257031 /nfs/dbraw/zinc/25/70/31/1211257031.db2.gz UXCBXXPZBQHKOQ-VQIMIIECSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557085 1211257165 /nfs/dbraw/zinc/25/71/65/1211257165.db2.gz UXCBXXPZBQHKOQ-LPHOPBHVSA-N 2 1 367.490 0.441 20 0 FCADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221242967 1225278722 /nfs/dbraw/zinc/27/87/22/1225278722.db2.gz DATJFZQAVXKCSO-DOXZYTNZSA-N 2 1 368.522 0.720 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)nc1 ZINC001275603597 1211262658 /nfs/dbraw/zinc/26/26/58/1211262658.db2.gz KERZKEALDOTWOF-IAGOWNOFSA-N 2 1 360.458 0.995 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c(OC)n1 ZINC001275735386 1211278177 /nfs/dbraw/zinc/27/81/77/1211278177.db2.gz KXBATMSCIQKXJU-GOSISDBHSA-N 2 1 363.462 0.480 20 0 FCADMP CC1(C)OC[C@H](CN2C[C@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736072 1211278191 /nfs/dbraw/zinc/27/81/91/1211278191.db2.gz AAHLPYBZJUGDIQ-QFBILLFUSA-N 2 1 367.490 0.441 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738439 1211279257 /nfs/dbraw/zinc/27/92/57/1211279257.db2.gz ZFWLUKSSLXMLBN-BEFAXECRSA-N 2 1 367.490 0.489 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738039 1211279270 /nfs/dbraw/zinc/27/92/70/1211279270.db2.gz SCGBHINZJISFJA-LJQANCHMSA-N 2 1 361.490 0.471 20 0 FCADMP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738413 1211279382 /nfs/dbraw/zinc/27/93/82/1211279382.db2.gz YJHUSSILNMSRJS-LJQANCHMSA-N 2 1 365.474 0.779 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC2(C)COC2)CC1 ZINC001275790552 1211283770 /nfs/dbraw/zinc/28/37/70/1211283770.db2.gz NUDWIDHJBBICLF-QZTJIDSGSA-N 2 1 364.534 0.726 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2(C)COC2)CC1 ZINC001275790552 1211283772 /nfs/dbraw/zinc/28/37/72/1211283772.db2.gz NUDWIDHJBBICLF-QZTJIDSGSA-N 2 1 364.534 0.726 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC2(C)COC2)CC1 ZINC001275790552 1211283774 /nfs/dbraw/zinc/28/37/74/1211283774.db2.gz NUDWIDHJBBICLF-QZTJIDSGSA-N 2 1 364.534 0.726 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833823 1211294001 /nfs/dbraw/zinc/29/40/01/1211294001.db2.gz QKMCRAPJSKNBIK-OXQOHEQNSA-N 2 1 362.518 0.921 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275834158 1211294141 /nfs/dbraw/zinc/29/41/41/1211294141.db2.gz XEJANHHKUCFGRD-UHFFFAOYSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877482 1211302861 /nfs/dbraw/zinc/30/28/61/1211302861.db2.gz CDHWUJNTVBPJRO-XLIONFOSSA-N 2 1 362.518 0.921 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001275878047 1211303415 /nfs/dbraw/zinc/30/34/15/1211303415.db2.gz GMTBMKGOTSWWNU-FQEVSTJZSA-N 3 1 366.550 0.831 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001275877955 1211303620 /nfs/dbraw/zinc/30/36/20/1211303620.db2.gz IKCHZMOVZPIKTH-YLFCFFPRSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275877955 1211303623 /nfs/dbraw/zinc/30/36/23/1211303623.db2.gz IKCHZMOVZPIKTH-YLFCFFPRSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001275877955 1211303627 /nfs/dbraw/zinc/30/36/27/1211303627.db2.gz IKCHZMOVZPIKTH-YLFCFFPRSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001275877953 1211303987 /nfs/dbraw/zinc/30/39/87/1211303987.db2.gz IKCHZMOVZPIKTH-QBPKDAKJSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275877953 1211303990 /nfs/dbraw/zinc/30/39/90/1211303990.db2.gz IKCHZMOVZPIKTH-QBPKDAKJSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275877953 1211303999 /nfs/dbraw/zinc/30/39/99/1211303999.db2.gz IKCHZMOVZPIKTH-QBPKDAKJSA-N 2 1 367.490 0.582 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(C[C@H](C)C(=O)OC)C(=O)CO3)CC1 ZINC001275881294 1211305576 /nfs/dbraw/zinc/30/55/76/1211305576.db2.gz ZDZUBPFGFAIGDD-HNNXBMFYSA-N 2 1 367.490 0.441 20 0 FCADMP COc1ccncc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275930386 1211311814 /nfs/dbraw/zinc/31/18/14/1211311814.db2.gz MNXYRYPNDAZYQH-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccncc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275930386 1211311819 /nfs/dbraw/zinc/31/18/19/1211311819.db2.gz MNXYRYPNDAZYQH-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369602600 1211329698 /nfs/dbraw/zinc/32/96/98/1211329698.db2.gz RNDAIGZXNDTMEZ-QRVBRYPASA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369602600 1211329700 /nfs/dbraw/zinc/32/97/00/1211329700.db2.gz RNDAIGZXNDTMEZ-QRVBRYPASA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000369602600 1211329702 /nfs/dbraw/zinc/32/97/02/1211329702.db2.gz RNDAIGZXNDTMEZ-QRVBRYPASA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369602600 1211329706 /nfs/dbraw/zinc/32/97/06/1211329706.db2.gz RNDAIGZXNDTMEZ-QRVBRYPASA-N 2 1 359.470 0.867 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001276185825 1211376554 /nfs/dbraw/zinc/37/65/54/1211376554.db2.gz OLAUBAJXLSHENM-KRWDZBQOSA-N 2 1 360.502 0.627 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4ccnn43)C2)OCC1=O ZINC001276230315 1211385261 /nfs/dbraw/zinc/38/52/61/1211385261.db2.gz FQOSZLRZQDGVGE-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4ccnn43)C2)OCC1=O ZINC001276230315 1211385264 /nfs/dbraw/zinc/38/52/64/1211385264.db2.gz FQOSZLRZQDGVGE-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)OCC1=O ZINC001276247634 1211392067 /nfs/dbraw/zinc/39/20/67/1211392067.db2.gz GHMJGEKANFVLNW-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001490824671 1211416018 /nfs/dbraw/zinc/41/60/18/1211416018.db2.gz RCRGBDFUFZLKNP-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606143 1211423303 /nfs/dbraw/zinc/42/33/03/1211423303.db2.gz TYEIBAASNDPFCN-FXUDXRNXSA-N 2 1 374.485 0.389 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606143 1211423305 /nfs/dbraw/zinc/42/33/05/1211423305.db2.gz TYEIBAASNDPFCN-FXUDXRNXSA-N 2 1 374.485 0.389 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523922 1211472728 /nfs/dbraw/zinc/47/27/28/1211472728.db2.gz CWSNBMSTULCNBT-WMLDXEAASA-N 2 1 360.458 0.889 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523922 1211472732 /nfs/dbraw/zinc/47/27/32/1211472732.db2.gz CWSNBMSTULCNBT-WMLDXEAASA-N 2 1 360.458 0.889 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000925398683 1211498912 /nfs/dbraw/zinc/49/89/12/1211498912.db2.gz HDJCFXQIFQFWBW-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926435281 1211548509 /nfs/dbraw/zinc/54/85/09/1211548509.db2.gz LSCYYRXVMCBSGP-QGZVFWFLSA-N 2 1 362.474 0.797 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1=O ZINC001110953940 1211613609 /nfs/dbraw/zinc/61/36/09/1211613609.db2.gz GWIAJOFUMSNQCA-ZACQAIPSSA-N 2 1 358.486 0.949 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000929472391 1211640500 /nfs/dbraw/zinc/64/05/00/1211640500.db2.gz OPJLFLJDDCFARA-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000929472391 1211640501 /nfs/dbraw/zinc/64/05/01/1211640501.db2.gz OPJLFLJDDCFARA-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000929472392 1211640589 /nfs/dbraw/zinc/64/05/89/1211640589.db2.gz OPJLFLJDDCFARA-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP CC(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000929472392 1211640595 /nfs/dbraw/zinc/64/05/95/1211640595.db2.gz OPJLFLJDDCFARA-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000931483211 1211757616 /nfs/dbraw/zinc/75/76/16/1211757616.db2.gz YKBFHMNCAAMMNC-SFHVURJKSA-N 3 1 362.518 0.794 20 0 FCADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931872589 1211776355 /nfs/dbraw/zinc/77/63/55/1211776355.db2.gz AVPRHMFHWLHQKX-SFHVURJKSA-N 2 1 360.502 0.830 20 0 FCADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931872589 1211776358 /nfs/dbraw/zinc/77/63/58/1211776358.db2.gz AVPRHMFHWLHQKX-SFHVURJKSA-N 2 1 360.502 0.830 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000931876725 1211777286 /nfs/dbraw/zinc/77/72/86/1211777286.db2.gz AMBIPZMOWDTEHR-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000931876725 1211777288 /nfs/dbraw/zinc/77/72/88/1211777288.db2.gz AMBIPZMOWDTEHR-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000931876725 1211777291 /nfs/dbraw/zinc/77/72/91/1211777291.db2.gz AMBIPZMOWDTEHR-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000931876725 1211777296 /nfs/dbraw/zinc/77/72/96/1211777296.db2.gz AMBIPZMOWDTEHR-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931883556 1211779896 /nfs/dbraw/zinc/77/98/96/1211779896.db2.gz PBRLQSFVHOLNIH-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931883556 1211779898 /nfs/dbraw/zinc/77/98/98/1211779898.db2.gz PBRLQSFVHOLNIH-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883556 1211779899 /nfs/dbraw/zinc/77/98/99/1211779899.db2.gz PBRLQSFVHOLNIH-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883556 1211779901 /nfs/dbraw/zinc/77/99/01/1211779901.db2.gz PBRLQSFVHOLNIH-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[NH+](C)C3CCC3)CC2)O1 ZINC000947132300 1211862844 /nfs/dbraw/zinc/86/28/44/1211862844.db2.gz ZHEMAUJJRPOHCF-RHSMWYFYSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[NH+](C)C3CCC3)CC2)O1 ZINC000947132300 1211862847 /nfs/dbraw/zinc/86/28/47/1211862847.db2.gz ZHEMAUJJRPOHCF-RHSMWYFYSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)O1 ZINC000947132300 1211862849 /nfs/dbraw/zinc/86/28/49/1211862849.db2.gz ZHEMAUJJRPOHCF-RHSMWYFYSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)O1 ZINC000947132300 1211862850 /nfs/dbraw/zinc/86/28/50/1211862850.db2.gz ZHEMAUJJRPOHCF-RHSMWYFYSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001111172561 1211911404 /nfs/dbraw/zinc/91/14/04/1211911404.db2.gz HRMQQNGJTDMPTB-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001111172561 1211911407 /nfs/dbraw/zinc/91/14/07/1211911407.db2.gz HRMQQNGJTDMPTB-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)cc2)n[nH]1 ZINC000572723503 1211927648 /nfs/dbraw/zinc/92/76/48/1211927648.db2.gz MTIIFOBFFYXGOG-UHFFFAOYSA-N 2 1 366.429 0.844 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001095769175 1211981857 /nfs/dbraw/zinc/98/18/57/1211981857.db2.gz ZJJSIDVJCYDFFG-YVSFHVDLSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001095769175 1211981866 /nfs/dbraw/zinc/98/18/66/1211981866.db2.gz ZJJSIDVJCYDFFG-YVSFHVDLSA-N 2 1 359.474 0.829 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[NH+]2C)O1 ZINC000968686847 1212078778 /nfs/dbraw/zinc/07/87/78/1212078778.db2.gz LJDCKWKTXPFVAP-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[NH+]2C)O1 ZINC000968686847 1212078785 /nfs/dbraw/zinc/07/87/85/1212078785.db2.gz LJDCKWKTXPFVAP-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC000968686847 1212078790 /nfs/dbraw/zinc/07/87/90/1212078790.db2.gz LJDCKWKTXPFVAP-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@H+]2C)O1 ZINC000968686847 1212078796 /nfs/dbraw/zinc/07/87/96/1212078796.db2.gz LJDCKWKTXPFVAP-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@@H+]1C ZINC000968728331 1212102350 /nfs/dbraw/zinc/10/23/50/1212102350.db2.gz JEZARSSCDKAEBQ-BFYDXBDKSA-N 2 1 369.473 0.693 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@H+]1C ZINC000968728331 1212102355 /nfs/dbraw/zinc/10/23/55/1212102355.db2.gz JEZARSSCDKAEBQ-BFYDXBDKSA-N 2 1 369.473 0.693 20 0 FCADMP COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277265 1212203366 /nfs/dbraw/zinc/20/33/66/1212203366.db2.gz IWIVFTOMGVGDHP-ZACQAIPSSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277265 1212203370 /nfs/dbraw/zinc/20/33/70/1212203370.db2.gz IWIVFTOMGVGDHP-ZACQAIPSSA-N 2 1 362.474 0.890 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCC1 ZINC001111277280 1212203596 /nfs/dbraw/zinc/20/35/96/1212203596.db2.gz JHXZUIDDMDOSML-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCC1 ZINC001111277280 1212203597 /nfs/dbraw/zinc/20/35/97/1212203597.db2.gz JHXZUIDDMDOSML-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001111281114 1212232447 /nfs/dbraw/zinc/23/24/47/1212232447.db2.gz GUQJRJLZMASWPA-TVFCKZIOSA-N 2 1 363.502 0.999 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281604 1212232984 /nfs/dbraw/zinc/23/29/84/1212232984.db2.gz ZJYAXUDDBZPBAZ-VQHPVUNQSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281604 1212232985 /nfs/dbraw/zinc/23/29/85/1212232985.db2.gz ZJYAXUDDBZPBAZ-VQHPVUNQSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC000969071966 1212255805 /nfs/dbraw/zinc/25/58/05/1212255805.db2.gz PKTVVDFSWNTQAX-DJIMGWMZSA-N 2 1 361.490 0.557 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC000969071966 1212255808 /nfs/dbraw/zinc/25/58/08/1212255808.db2.gz PKTVVDFSWNTQAX-DJIMGWMZSA-N 2 1 361.490 0.557 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000949181263 1212314043 /nfs/dbraw/zinc/31/40/43/1212314043.db2.gz VKFCAKQPQZKNCN-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000949179243 1212314090 /nfs/dbraw/zinc/31/40/90/1212314090.db2.gz DLJNOTKIBDDGHK-FRFSOERESA-N 2 1 355.442 0.863 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000949183424 1212315458 /nfs/dbraw/zinc/31/54/58/1212315458.db2.gz ASDJRYIAYXMYJQ-OWCLPIDISA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000949183424 1212315464 /nfs/dbraw/zinc/31/54/64/1212315464.db2.gz ASDJRYIAYXMYJQ-OWCLPIDISA-N 2 1 361.490 0.921 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000949216068 1212327918 /nfs/dbraw/zinc/32/79/18/1212327918.db2.gz KSUBFHFHRSCPOO-XOKHGSTOSA-N 2 1 359.474 0.496 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555277 1225366056 /nfs/dbraw/zinc/36/60/56/1225366056.db2.gz ABAPTPSPJLLEMH-IXDOHACOSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555277 1225366062 /nfs/dbraw/zinc/36/60/62/1225366062.db2.gz ABAPTPSPJLLEMH-IXDOHACOSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000949535963 1212403018 /nfs/dbraw/zinc/40/30/18/1212403018.db2.gz UKMRIUYCLZEFFL-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000949535963 1212403023 /nfs/dbraw/zinc/40/30/23/1212403023.db2.gz UKMRIUYCLZEFFL-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555276 1225365302 /nfs/dbraw/zinc/36/53/02/1225365302.db2.gz ABAPTPSPJLLEMH-BRWVUGGUSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555276 1225365311 /nfs/dbraw/zinc/36/53/11/1225365311.db2.gz ABAPTPSPJLLEMH-BRWVUGGUSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297621 1212479517 /nfs/dbraw/zinc/47/95/17/1212479517.db2.gz MGZVDGZIWLSNMO-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297621 1212479525 /nfs/dbraw/zinc/47/95/25/1212479525.db2.gz MGZVDGZIWLSNMO-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001007479884 1212502448 /nfs/dbraw/zinc/50/24/48/1212502448.db2.gz OKZYADNHAFOJOU-ZWOKBUDYSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001007701856 1212557943 /nfs/dbraw/zinc/55/79/43/1212557943.db2.gz NEBKJWBKQWWMIZ-ZWOKBUDYSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1cc(NC2CCN(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc(C)n1 ZINC001111321656 1212642233 /nfs/dbraw/zinc/64/22/33/1212642233.db2.gz XTNFIGIXEXSMKJ-CABCVRRESA-N 2 1 360.462 0.207 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C23CCC[NH+]2CCC3)O1 ZINC000950788317 1212671727 /nfs/dbraw/zinc/67/17/27/1212671727.db2.gz GXABOBTVMAJJCB-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C23CCC[NH+]2CCC3)O1 ZINC000950788317 1212671732 /nfs/dbraw/zinc/67/17/32/1212671732.db2.gz GXABOBTVMAJJCB-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000950798018 1212678298 /nfs/dbraw/zinc/67/82/98/1212678298.db2.gz ROLMMXXVWDXNCO-MUIFIZLQSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000950798018 1212678300 /nfs/dbraw/zinc/67/83/00/1212678300.db2.gz ROLMMXXVWDXNCO-MUIFIZLQSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000951781357 1212876460 /nfs/dbraw/zinc/87/64/60/1212876460.db2.gz RDJXZBJGLVNQCC-JKIFEVAISA-N 2 1 355.442 0.863 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2ccccc2)C1 ZINC001111406148 1212991910 /nfs/dbraw/zinc/99/19/10/1212991910.db2.gz VVKPUGIBGHZSAO-MKXGPGLRSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@H+]1C ZINC000954405656 1213068033 /nfs/dbraw/zinc/06/80/33/1213068033.db2.gz FHLPSZDOBUEVJB-CXAGYDPISA-N 2 1 355.442 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CCc3cncn3C)C2)CC[N@H+]1C ZINC000954412426 1213071484 /nfs/dbraw/zinc/07/14/84/1213071484.db2.gz HZQULRKOPUHESU-DLBZAZTESA-N 2 1 361.490 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000954415928 1213072883 /nfs/dbraw/zinc/07/28/83/1213072883.db2.gz GSSGQWFABZOBAI-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000954415928 1213072889 /nfs/dbraw/zinc/07/28/89/1213072889.db2.gz GSSGQWFABZOBAI-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954415928 1213072894 /nfs/dbraw/zinc/07/28/94/1213072894.db2.gz GSSGQWFABZOBAI-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954415928 1213072899 /nfs/dbraw/zinc/07/28/99/1213072899.db2.gz GSSGQWFABZOBAI-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)O1 ZINC000954648519 1213097504 /nfs/dbraw/zinc/09/75/04/1213097504.db2.gz LKDYZGYTQMYTCL-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)O1 ZINC000954648519 1213097508 /nfs/dbraw/zinc/09/75/08/1213097508.db2.gz LKDYZGYTQMYTCL-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)O1 ZINC000954648519 1213097510 /nfs/dbraw/zinc/09/75/10/1213097510.db2.gz LKDYZGYTQMYTCL-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000954648519 1213097513 /nfs/dbraw/zinc/09/75/13/1213097513.db2.gz LKDYZGYTQMYTCL-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)O1 ZINC000954648519 1213097514 /nfs/dbraw/zinc/09/75/14/1213097514.db2.gz LKDYZGYTQMYTCL-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CCc3cncn3C)C2)CC[N@H+]1C ZINC000957012416 1213230826 /nfs/dbraw/zinc/23/08/26/1213230826.db2.gz HCEOCQIMOQHKER-IDHHARJASA-N 2 1 361.490 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000957013997 1213231714 /nfs/dbraw/zinc/23/17/14/1213231714.db2.gz OOVRPRVWVLDQFC-FRQCXROJSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000957366848 1213295339 /nfs/dbraw/zinc/29/53/39/1213295339.db2.gz GCTASICYKBMDQF-CZUORRHYSA-N 2 1 352.398 0.808 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221692779 1225444038 /nfs/dbraw/zinc/44/40/38/1225444038.db2.gz LJSJVGSDWSKDCH-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221692779 1225444046 /nfs/dbraw/zinc/44/40/46/1225444046.db2.gz LJSJVGSDWSKDCH-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP CCOC(=O)CC[N@H+]1CCC[C@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276318147 1213404364 /nfs/dbraw/zinc/40/43/64/1213404364.db2.gz VURCJRZNFPCNEO-SFHVURJKSA-N 2 1 362.430 0.714 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773747 1225477513 /nfs/dbraw/zinc/47/75/13/1225477513.db2.gz BVCGTZXUAWSKMU-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773747 1225477518 /nfs/dbraw/zinc/47/75/18/1225477518.db2.gz BVCGTZXUAWSKMU-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789251 1225481752 /nfs/dbraw/zinc/48/17/52/1225481752.db2.gz MFAYBXILAASMOX-RRFJBIMHSA-N 2 1 367.494 0.094 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789251 1225481754 /nfs/dbraw/zinc/48/17/54/1225481754.db2.gz MFAYBXILAASMOX-RRFJBIMHSA-N 2 1 367.494 0.094 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001221793288 1225482782 /nfs/dbraw/zinc/48/27/82/1225482782.db2.gz ZMCRNMCBZVPOFH-JFIYKMOQSA-N 2 1 365.474 0.642 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC[N@@H+]1C ZINC001011208493 1213848758 /nfs/dbraw/zinc/84/87/58/1213848758.db2.gz DEQXJFMNEJWYGI-BZUAXINKSA-N 2 1 359.474 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC[N@H+]1C ZINC001011208493 1213848764 /nfs/dbraw/zinc/84/87/64/1213848764.db2.gz DEQXJFMNEJWYGI-BZUAXINKSA-N 2 1 359.474 0.772 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001011254949 1213858805 /nfs/dbraw/zinc/85/88/05/1213858805.db2.gz OXRGOMVEFAFNGR-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001011254949 1213858807 /nfs/dbraw/zinc/85/88/07/1213858807.db2.gz OXRGOMVEFAFNGR-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)O1 ZINC001011317652 1213866761 /nfs/dbraw/zinc/86/67/61/1213866761.db2.gz VJAXJVCCFPTHKN-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)O1 ZINC001011317652 1213866763 /nfs/dbraw/zinc/86/67/63/1213866763.db2.gz VJAXJVCCFPTHKN-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001011317652 1213866767 /nfs/dbraw/zinc/86/67/67/1213866767.db2.gz VJAXJVCCFPTHKN-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001011317652 1213866770 /nfs/dbraw/zinc/86/67/70/1213866770.db2.gz VJAXJVCCFPTHKN-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001221815821 1225490695 /nfs/dbraw/zinc/49/06/95/1225490695.db2.gz DDRWAIZAOGEHSL-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001221815821 1225490698 /nfs/dbraw/zinc/49/06/98/1225490698.db2.gz DDRWAIZAOGEHSL-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818168 1225491032 /nfs/dbraw/zinc/49/10/32/1225491032.db2.gz IJEUWYDDJDOHDW-MGPQQGTHSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818168 1225491036 /nfs/dbraw/zinc/49/10/36/1225491036.db2.gz IJEUWYDDJDOHDW-MGPQQGTHSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818168 1225491038 /nfs/dbraw/zinc/49/10/38/1225491038.db2.gz IJEUWYDDJDOHDW-MGPQQGTHSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818168 1225491043 /nfs/dbraw/zinc/49/10/43/1225491043.db2.gz IJEUWYDDJDOHDW-MGPQQGTHSA-N 2 1 367.494 0.080 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N2CCC2)CC3)CC[N@H+]1C ZINC001016630450 1214024636 /nfs/dbraw/zinc/02/46/36/1214024636.db2.gz FVCBMPYCXQMZGN-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001017464209 1214098723 /nfs/dbraw/zinc/09/87/23/1214098723.db2.gz GELSHGDQIKUJHB-OKZBNKHCSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001017464209 1214098728 /nfs/dbraw/zinc/09/87/28/1214098728.db2.gz GELSHGDQIKUJHB-OKZBNKHCSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001017464209 1214098731 /nfs/dbraw/zinc/09/87/31/1214098731.db2.gz GELSHGDQIKUJHB-OKZBNKHCSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC001017487969 1214102388 /nfs/dbraw/zinc/10/23/88/1214102388.db2.gz WITQBCKXNSBSAN-NVXWUHKLSA-N 2 1 360.502 0.697 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276825591 1225502532 /nfs/dbraw/zinc/50/25/32/1225502532.db2.gz VTVKEDWGBFDPDL-GUDVDZBRSA-N 2 1 366.550 0.706 20 0 FCADMP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276825591 1225502535 /nfs/dbraw/zinc/50/25/35/1225502535.db2.gz VTVKEDWGBFDPDL-GUDVDZBRSA-N 2 1 366.550 0.706 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276825591 1225502539 /nfs/dbraw/zinc/50/25/39/1225502539.db2.gz VTVKEDWGBFDPDL-GUDVDZBRSA-N 2 1 366.550 0.706 20 0 FCADMP COc1coc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC001019032393 1214183323 /nfs/dbraw/zinc/18/33/23/1214183323.db2.gz UYYBMQLWXSFQGH-DVOMOZLQSA-N 2 1 365.430 0.058 20 0 FCADMP COc1coc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC001019032393 1214183326 /nfs/dbraw/zinc/18/33/26/1214183326.db2.gz UYYBMQLWXSFQGH-DVOMOZLQSA-N 2 1 365.430 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C3)CC[NH+]1C ZINC001019070151 1214190469 /nfs/dbraw/zinc/19/04/69/1214190469.db2.gz ATAYIKUEBBJQIS-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CC[C@H](C)C2)C3)CC[N@@H+]1C ZINC001019070151 1214190475 /nfs/dbraw/zinc/19/04/75/1214190475.db2.gz ATAYIKUEBBJQIS-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CC[C@H](C)C2)C3)CC[N@H+]1C ZINC001019070151 1214190479 /nfs/dbraw/zinc/19/04/79/1214190479.db2.gz ATAYIKUEBBJQIS-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(F)cc3)C2)O1 ZINC001020286940 1214327082 /nfs/dbraw/zinc/32/70/82/1214327082.db2.gz QRYJQLLJHSGQJW-IDXRPEPOSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(F)cc3)C2)O1 ZINC001020286940 1214327089 /nfs/dbraw/zinc/32/70/89/1214327089.db2.gz QRYJQLLJHSGQJW-IDXRPEPOSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001020286669 1214327499 /nfs/dbraw/zinc/32/74/99/1214327499.db2.gz IRABFPZHDURCKB-DGXTUMSLSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001020286669 1214327506 /nfs/dbraw/zinc/32/75/06/1214327506.db2.gz IRABFPZHDURCKB-DGXTUMSLSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)n1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000961992651 1214395664 /nfs/dbraw/zinc/39/56/64/1214395664.db2.gz XRSFORJEUZDFJQ-ARAOSMHQSA-N 2 1 364.494 0.563 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCN2CCNC2=O)CC[N@H+]1C ZINC001039594872 1214400894 /nfs/dbraw/zinc/40/08/94/1214400894.db2.gz DFKPHAJBIVVPPO-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001039594872 1214400895 /nfs/dbraw/zinc/40/08/95/1214400895.db2.gz DFKPHAJBIVVPPO-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001039594872 1214400898 /nfs/dbraw/zinc/40/08/98/1214400898.db2.gz DFKPHAJBIVVPPO-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001039594872 1214400900 /nfs/dbraw/zinc/40/09/00/1214400900.db2.gz DFKPHAJBIVVPPO-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001039594872 1214400904 /nfs/dbraw/zinc/40/09/04/1214400904.db2.gz DFKPHAJBIVVPPO-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001039787816 1214433487 /nfs/dbraw/zinc/43/34/87/1214433487.db2.gz QJLJRQSLRYYHMS-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039867297 1214451755 /nfs/dbraw/zinc/45/17/55/1214451755.db2.gz GOSPVLUYXYKXQU-SPYBWZPUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039867297 1214451756 /nfs/dbraw/zinc/45/17/56/1214451756.db2.gz GOSPVLUYXYKXQU-SPYBWZPUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039867297 1214451762 /nfs/dbraw/zinc/45/17/62/1214451762.db2.gz GOSPVLUYXYKXQU-SPYBWZPUSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CCn2cncn2)CC3)CC[N@H+]1C ZINC001040707427 1214570258 /nfs/dbraw/zinc/57/02/58/1214570258.db2.gz BILSBBJUSDXBFJ-IAGOWNOFSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745022 1214580309 /nfs/dbraw/zinc/58/03/09/1214580309.db2.gz GOTFTWNRNRPBTM-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745022 1214580313 /nfs/dbraw/zinc/58/03/13/1214580313.db2.gz GOTFTWNRNRPBTM-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP Cn1cncc1CC(=O)N1C[C@H]2CC[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001221946946 1225546384 /nfs/dbraw/zinc/54/63/84/1225546384.db2.gz KFZUXHBJIFMTOL-SJLPKXTDSA-N 2 1 371.489 0.957 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221950340 1225548797 /nfs/dbraw/zinc/54/87/97/1225548797.db2.gz CQOWXNUKCXOCDI-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@H+]1C ZINC000963750822 1214842837 /nfs/dbraw/zinc/84/28/37/1214842837.db2.gz FUVVBVMUYHSTQZ-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000965945141 1215148974 /nfs/dbraw/zinc/14/89/74/1215148974.db2.gz BYVZJWJYWATGJH-VQHPVUNQSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000965945141 1215148976 /nfs/dbraw/zinc/14/89/76/1215148976.db2.gz BYVZJWJYWATGJH-VQHPVUNQSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)CC[N@H+]1C ZINC000967368857 1215234112 /nfs/dbraw/zinc/23/41/12/1215234112.db2.gz QRWXQORTMBSDQN-OWCLPIDISA-N 2 1 361.490 0.989 20 0 FCADMP COCCCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222051419 1225591045 /nfs/dbraw/zinc/59/10/45/1225591045.db2.gz WXPQDIRNYBSPCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222051419 1225591051 /nfs/dbraw/zinc/59/10/51/1225591051.db2.gz WXPQDIRNYBSPCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222051419 1225591054 /nfs/dbraw/zinc/59/10/54/1225591054.db2.gz WXPQDIRNYBSPCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222051419 1225591057 /nfs/dbraw/zinc/59/10/57/1225591057.db2.gz WXPQDIRNYBSPCY-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001055651648 1215899808 /nfs/dbraw/zinc/89/98/08/1215899808.db2.gz VIMBLHQVHRPEPS-NVXWUHKLSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC001055652677 1215899883 /nfs/dbraw/zinc/89/98/83/1215899883.db2.gz JGGBDGIXRHNVIR-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055957079 1215926662 /nfs/dbraw/zinc/92/66/62/1215926662.db2.gz YGHWPJLJCJCLOX-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CCN(Cc4nnnn4C)CC3)CC2)CC[N@H+]1C ZINC001000159475 1216013395 /nfs/dbraw/zinc/01/33/95/1216013395.db2.gz APLSTPUREDRNGH-UKRRQHHQSA-N 2 1 361.494 0.411 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180685 1216135418 /nfs/dbraw/zinc/13/54/18/1216135418.db2.gz GDRISPQLNOLQSA-IPELMVKDSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180685 1216135419 /nfs/dbraw/zinc/13/54/19/1216135419.db2.gz GDRISPQLNOLQSA-IPELMVKDSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180685 1216135421 /nfs/dbraw/zinc/13/54/21/1216135421.db2.gz GDRISPQLNOLQSA-IPELMVKDSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180685 1216135423 /nfs/dbraw/zinc/13/54/23/1216135423.db2.gz GDRISPQLNOLQSA-IPELMVKDSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@@H]3CCNC3=O)cc2F)CC[N@H+]1C ZINC001001522573 1216232523 /nfs/dbraw/zinc/23/25/23/1216232523.db2.gz FVMGQDRHBVFLME-SRCQZFHVSA-N 2 1 362.449 0.760 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001050328916 1216308598 /nfs/dbraw/zinc/30/85/98/1216308598.db2.gz OWPYWNCDVLBDRQ-YHUYYLMFSA-N 2 1 363.510 0.705 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nncn3C)CC2)O1 ZINC001050335739 1216309008 /nfs/dbraw/zinc/30/90/08/1216309008.db2.gz ACBRAMPHZCKQRM-KLHDSHLOSA-N 2 1 364.494 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nncn3C)CC2)O1 ZINC001050335739 1216309015 /nfs/dbraw/zinc/30/90/15/1216309015.db2.gz ACBRAMPHZCKQRM-KLHDSHLOSA-N 2 1 364.494 0.299 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222892356 1225663008 /nfs/dbraw/zinc/66/30/08/1225663008.db2.gz MQFDQIFQEHTAOI-IKGGRYGDSA-N 2 1 362.474 0.692 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222892356 1225663013 /nfs/dbraw/zinc/66/30/13/1225663013.db2.gz MQFDQIFQEHTAOI-IKGGRYGDSA-N 2 1 362.474 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCCC2=O)CC3)CC[N@H+]1C ZINC001050525010 1216331249 /nfs/dbraw/zinc/33/12/49/1216331249.db2.gz PVQVFCFUHPQOQT-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP O=C(N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)C12CCC[NH+](CCC1)C2 ZINC001222968194 1225671389 /nfs/dbraw/zinc/67/13/89/1225671389.db2.gz IZFQZZMYWJIOKT-MSOLQXFVSA-N 2 1 365.518 0.794 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624015 1216467578 /nfs/dbraw/zinc/46/75/78/1216467578.db2.gz LSFUUESXOGKIFP-OWCLPIDISA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624015 1216467582 /nfs/dbraw/zinc/46/75/82/1216467582.db2.gz LSFUUESXOGKIFP-OWCLPIDISA-N 2 1 364.494 0.264 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccc(C)n3)C2)CC[N@@H+]1C ZINC001051623841 1216468595 /nfs/dbraw/zinc/46/85/95/1216468595.db2.gz JLYMHNLWXFYCEM-YESZJQIVSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccc(C)n3)C2)CC[N@H+]1C ZINC001051623841 1216468600 /nfs/dbraw/zinc/46/86/00/1216468600.db2.gz JLYMHNLWXFYCEM-YESZJQIVSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624670 1216470431 /nfs/dbraw/zinc/47/04/31/1216470431.db2.gz SKAPNDFNWRGVSK-BZUAXINKSA-N 2 1 364.494 0.264 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCC4CC4)CC3)C2)O1 ZINC001052043095 1216491616 /nfs/dbraw/zinc/49/16/16/1216491616.db2.gz OMQRDZZNYKITFY-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCC4CC4)CC3)C2)O1 ZINC001052043095 1216491621 /nfs/dbraw/zinc/49/16/21/1216491621.db2.gz OMQRDZZNYKITFY-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001057739311 1216530795 /nfs/dbraw/zinc/53/07/95/1216530795.db2.gz UVJKOOMBQCIUSH-BRWVUGGUSA-N 2 1 370.538 0.384 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cn1 ZINC000827451013 1216603622 /nfs/dbraw/zinc/60/36/22/1216603622.db2.gz WXWTUNBTNLHRAM-HNNXBMFYSA-N 2 1 366.429 0.849 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885020 1216765510 /nfs/dbraw/zinc/76/55/10/1216765510.db2.gz LOBQGMDCTFVFBL-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885020 1216765516 /nfs/dbraw/zinc/76/55/16/1216765516.db2.gz LOBQGMDCTFVFBL-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885020 1216765521 /nfs/dbraw/zinc/76/55/21/1216765521.db2.gz LOBQGMDCTFVFBL-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902714 1216827952 /nfs/dbraw/zinc/82/79/52/1216827952.db2.gz LDFGSLBEMFTMTL-ILXRZTDVSA-N 2 1 368.432 0.759 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902714 1216827953 /nfs/dbraw/zinc/82/79/53/1216827953.db2.gz LDFGSLBEMFTMTL-ILXRZTDVSA-N 2 1 368.432 0.759 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902714 1216827954 /nfs/dbraw/zinc/82/79/54/1216827954.db2.gz LDFGSLBEMFTMTL-ILXRZTDVSA-N 2 1 368.432 0.759 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902714 1216827956 /nfs/dbraw/zinc/82/79/56/1216827956.db2.gz LDFGSLBEMFTMTL-ILXRZTDVSA-N 2 1 368.432 0.759 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2n2ccnn2)O1 ZINC001069958884 1216867525 /nfs/dbraw/zinc/86/75/25/1216867525.db2.gz RACFLVABDXZWLA-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2n2ccnn2)O1 ZINC001069958884 1216867526 /nfs/dbraw/zinc/86/75/26/1216867526.db2.gz RACFLVABDXZWLA-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2n2ccnn2)O1 ZINC001069958884 1216867531 /nfs/dbraw/zinc/86/75/31/1216867531.db2.gz RACFLVABDXZWLA-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)O1 ZINC001069958884 1216867533 /nfs/dbraw/zinc/86/75/33/1216867533.db2.gz RACFLVABDXZWLA-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969470 1216875704 /nfs/dbraw/zinc/87/57/04/1216875704.db2.gz XOJVQQXYXXURQX-XHSDSOJGSA-N 2 1 362.478 0.283 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969470 1216875706 /nfs/dbraw/zinc/87/57/06/1216875706.db2.gz XOJVQQXYXXURQX-XHSDSOJGSA-N 2 1 362.478 0.283 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001070015232 1216898342 /nfs/dbraw/zinc/89/83/42/1216898342.db2.gz MJLXXDATWFKXGF-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@@H]21 ZINC001223534369 1225714050 /nfs/dbraw/zinc/71/40/50/1225714050.db2.gz NWCVMFNIJUKNOY-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@@H]21 ZINC001223534369 1225714055 /nfs/dbraw/zinc/71/40/55/1225714055.db2.gz NWCVMFNIJUKNOY-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402045 1217312819 /nfs/dbraw/zinc/31/28/19/1217312819.db2.gz FPRJKVRDVLVULM-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402045 1217312827 /nfs/dbraw/zinc/31/28/27/1217312827.db2.gz FPRJKVRDVLVULM-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402045 1217312838 /nfs/dbraw/zinc/31/28/38/1217312838.db2.gz FPRJKVRDVLVULM-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402045 1217312847 /nfs/dbraw/zinc/31/28/47/1217312847.db2.gz FPRJKVRDVLVULM-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cncn4C)C3)C2)O1 ZINC001041402074 1217313098 /nfs/dbraw/zinc/31/30/98/1217313098.db2.gz GCBVKUXDJUBDCP-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cncn4C)C3)C2)O1 ZINC001041402074 1217313107 /nfs/dbraw/zinc/31/31/07/1217313107.db2.gz GCBVKUXDJUBDCP-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4cncn4C)C3)C2)O1 ZINC001041402074 1217313115 /nfs/dbraw/zinc/31/31/15/1217313115.db2.gz GCBVKUXDJUBDCP-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4cncn4C)C3)C2)O1 ZINC001041402074 1217313123 /nfs/dbraw/zinc/31/31/23/1217313123.db2.gz GCBVKUXDJUBDCP-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)C1CC1 ZINC001224139892 1225760315 /nfs/dbraw/zinc/76/03/15/1225760315.db2.gz FLISAEUYRFPSLL-JQHSSLGASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)C1CC1 ZINC001224139892 1225760317 /nfs/dbraw/zinc/76/03/17/1225760317.db2.gz FLISAEUYRFPSLL-JQHSSLGASA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130119 1225760341 /nfs/dbraw/zinc/76/03/41/1225760341.db2.gz OAHHXZQMFKBGKT-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130119 1225760343 /nfs/dbraw/zinc/76/03/43/1225760343.db2.gz OAHHXZQMFKBGKT-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130119 1225760345 /nfs/dbraw/zinc/76/03/45/1225760345.db2.gz OAHHXZQMFKBGKT-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233496 1225766624 /nfs/dbraw/zinc/76/66/24/1225766624.db2.gz ULQTVNUBHMWDBR-KURKYZTESA-N 2 1 363.506 0.507 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233496 1225766627 /nfs/dbraw/zinc/76/66/27/1225766627.db2.gz ULQTVNUBHMWDBR-KURKYZTESA-N 2 1 363.506 0.507 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233496 1225766631 /nfs/dbraw/zinc/76/66/31/1225766631.db2.gz ULQTVNUBHMWDBR-KURKYZTESA-N 2 1 363.506 0.507 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)CO)CC1 ZINC001276958256 1225767112 /nfs/dbraw/zinc/76/71/12/1225767112.db2.gz GBGQIHZHFRWAAM-QZTJIDSGSA-N 2 1 366.550 0.708 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)CO)CC1 ZINC001276958256 1225767115 /nfs/dbraw/zinc/76/71/15/1225767115.db2.gz GBGQIHZHFRWAAM-QZTJIDSGSA-N 2 1 366.550 0.708 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)CO)CC1 ZINC001276958256 1225767117 /nfs/dbraw/zinc/76/71/17/1225767117.db2.gz GBGQIHZHFRWAAM-QZTJIDSGSA-N 2 1 366.550 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001095964918 1217789332 /nfs/dbraw/zinc/78/93/32/1217789332.db2.gz IDBNRZYGOCRXBR-RANZSIQMSA-N 2 1 362.518 0.966 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044666243 1217868211 /nfs/dbraw/zinc/86/82/11/1217868211.db2.gz KAQFHVZVIHFSSW-HZMVEIRTSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044666243 1217868212 /nfs/dbraw/zinc/86/82/12/1217868212.db2.gz KAQFHVZVIHFSSW-HZMVEIRTSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044666966 1217868360 /nfs/dbraw/zinc/86/83/60/1217868360.db2.gz TZVUMZGSQMKEMJ-JJXSEGSLSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044666966 1217868361 /nfs/dbraw/zinc/86/83/61/1217868361.db2.gz TZVUMZGSQMKEMJ-JJXSEGSLSA-N 2 1 361.490 0.743 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1 ZINC001045090833 1217898849 /nfs/dbraw/zinc/89/88/49/1217898849.db2.gz HLCROKYYOZYMSF-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1 ZINC001045090833 1217898850 /nfs/dbraw/zinc/89/88/50/1217898850.db2.gz HLCROKYYOZYMSF-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@H](CO)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276974054 1225780558 /nfs/dbraw/zinc/78/05/58/1225780558.db2.gz LZGCHTRCLKPMKS-ROUUACIJSA-N 2 1 366.550 0.471 20 0 FCADMP COCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673046 1217947318 /nfs/dbraw/zinc/94/73/18/1217947318.db2.gz NHODQHFVWQBFIP-IXDOHACOSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673046 1217947321 /nfs/dbraw/zinc/94/73/21/1217947321.db2.gz NHODQHFVWQBFIP-IXDOHACOSA-N 2 1 369.506 0.339 20 0 FCADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001046381568 1218031473 /nfs/dbraw/zinc/03/14/73/1218031473.db2.gz WNCWKESVZIGQGN-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)cc1 ZINC001096175644 1218127453 /nfs/dbraw/zinc/12/74/53/1218127453.db2.gz MGJPYTBOOLWJMZ-OWSLCNJRSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)cc1 ZINC001096175644 1218127456 /nfs/dbraw/zinc/12/74/56/1218127456.db2.gz MGJPYTBOOLWJMZ-OWSLCNJRSA-N 2 1 356.470 0.972 20 0 FCADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047384225 1218136077 /nfs/dbraw/zinc/13/60/77/1218136077.db2.gz NKXDMFBEJNQJBO-XWSJACJDSA-N 2 1 365.518 0.647 20 0 FCADMP CCc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001047385101 1218137283 /nfs/dbraw/zinc/13/72/83/1218137283.db2.gz YWHHXLQJKHTSAZ-WCVJEAGWSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001047385101 1218137286 /nfs/dbraw/zinc/13/72/86/1218137286.db2.gz YWHHXLQJKHTSAZ-WCVJEAGWSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1nc(C)c(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001047385101 1218137287 /nfs/dbraw/zinc/13/72/87/1218137287.db2.gz YWHHXLQJKHTSAZ-WCVJEAGWSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1nc(C)c(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001047385101 1218137289 /nfs/dbraw/zinc/13/72/89/1218137289.db2.gz YWHHXLQJKHTSAZ-WCVJEAGWSA-N 2 1 364.490 0.889 20 0 FCADMP Cc1ccnc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001096258962 1218195595 /nfs/dbraw/zinc/19/55/95/1218195595.db2.gz KJPDLLXJYLMFQS-IAGOWNOFSA-N 2 1 360.506 0.754 20 0 FCADMP Cc1ccnc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001096258962 1218195597 /nfs/dbraw/zinc/19/55/97/1218195597.db2.gz KJPDLLXJYLMFQS-IAGOWNOFSA-N 2 1 360.506 0.754 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001096309010 1218236434 /nfs/dbraw/zinc/23/64/34/1218236434.db2.gz HSAZIBMWROYGNB-OWSLCNJRSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001096309010 1218236438 /nfs/dbraw/zinc/23/64/38/1218236438.db2.gz HSAZIBMWROYGNB-OWSLCNJRSA-N 2 1 360.502 0.718 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096355870 1218262500 /nfs/dbraw/zinc/26/25/00/1218262500.db2.gz FRIXOMLPHLNUSG-LTIDMASMSA-N 2 1 360.502 0.813 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096355870 1218262503 /nfs/dbraw/zinc/26/25/03/1218262503.db2.gz FRIXOMLPHLNUSG-LTIDMASMSA-N 2 1 360.502 0.813 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001096355916 1218262642 /nfs/dbraw/zinc/26/26/42/1218262642.db2.gz HQKLUPWCOXCOHP-VSZNYVQBSA-N 2 1 372.513 0.957 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001096355916 1218262649 /nfs/dbraw/zinc/26/26/49/1218262649.db2.gz HQKLUPWCOXCOHP-VSZNYVQBSA-N 2 1 372.513 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCn2cncn2)CC[N@H+]1C ZINC001048527603 1218280972 /nfs/dbraw/zinc/28/09/72/1218280972.db2.gz MMUCFWIDAFADSI-UYTYNIKBSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)CC[NH+]1C ZINC001048527603 1218280975 /nfs/dbraw/zinc/28/09/75/1218280975.db2.gz MMUCFWIDAFADSI-UYTYNIKBSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)CC[NH+]1C ZINC001048527603 1218280980 /nfs/dbraw/zinc/28/09/80/1218280980.db2.gz MMUCFWIDAFADSI-UYTYNIKBSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)O1 ZINC001048537216 1218283254 /nfs/dbraw/zinc/28/32/54/1218283254.db2.gz MUMYHSUCPIDMOX-NQNKBUKLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)O1 ZINC001048537216 1218283260 /nfs/dbraw/zinc/28/32/60/1218283260.db2.gz MUMYHSUCPIDMOX-NQNKBUKLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)O1 ZINC001048537216 1218283264 /nfs/dbraw/zinc/28/32/64/1218283264.db2.gz MUMYHSUCPIDMOX-NQNKBUKLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)O1 ZINC001048537216 1218283273 /nfs/dbraw/zinc/28/32/73/1218283273.db2.gz MUMYHSUCPIDMOX-NQNKBUKLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)O1 ZINC001048537216 1218283284 /nfs/dbraw/zinc/28/32/84/1218283284.db2.gz MUMYHSUCPIDMOX-NQNKBUKLSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnnn4CC)C[C@@H]3C2)CC[N@H+]1C ZINC001048827892 1218321990 /nfs/dbraw/zinc/32/19/90/1218321990.db2.gz LKBWYRVZKCFJLB-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4CC)C[C@@H]3C2)CC[NH+]1C ZINC001048827892 1218321996 /nfs/dbraw/zinc/32/19/96/1218321996.db2.gz LKBWYRVZKCFJLB-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnnn4CC)C[C@@H]3C2)CC[NH+]1C ZINC001048827892 1218322002 /nfs/dbraw/zinc/32/20/02/1218322002.db2.gz LKBWYRVZKCFJLB-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769869 1218521711 /nfs/dbraw/zinc/52/17/11/1218521711.db2.gz QJNKAXXCCFGWFD-MBOZVWFJSA-N 3 1 374.533 0.767 20 0 FCADMP c1c([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770849 1218521752 /nfs/dbraw/zinc/52/17/52/1218521752.db2.gz ZKXZAFJLYYHKBH-MUQADHOPSA-N 2 1 361.490 0.803 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745875 1218545297 /nfs/dbraw/zinc/54/52/97/1218545297.db2.gz HRKWTWNGEKEOPR-XWSJACJDSA-N 2 1 370.497 0.882 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745875 1218545303 /nfs/dbraw/zinc/54/53/03/1218545303.db2.gz HRKWTWNGEKEOPR-XWSJACJDSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745875 1218545308 /nfs/dbraw/zinc/54/53/08/1218545308.db2.gz HRKWTWNGEKEOPR-XWSJACJDSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745875 1218545322 /nfs/dbraw/zinc/54/53/22/1218545322.db2.gz HRKWTWNGEKEOPR-XWSJACJDSA-N 2 1 370.497 0.882 20 0 FCADMP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903921151 1218565331 /nfs/dbraw/zinc/56/53/31/1218565331.db2.gz NHWULFHVVCVOCK-AEFFLSMTSA-N 2 1 356.474 0.992 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)C1 ZINC001096582958 1218565360 /nfs/dbraw/zinc/56/53/60/1218565360.db2.gz IKEXHPLYPHTGRE-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2CCCC2=O)C1 ZINC001096582958 1218565370 /nfs/dbraw/zinc/56/53/70/1218565370.db2.gz IKEXHPLYPHTGRE-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+]1CCN(c2ncc(CN[C@H]3C[NH2+]CC4(CCOCC4)C3)cn2)CC1 ZINC000903972363 1218576241 /nfs/dbraw/zinc/57/62/41/1218576241.db2.gz HFMAEFARIAHESY-QGZVFWFLSA-N 2 1 360.506 0.477 20 0 FCADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001097080268 1218683500 /nfs/dbraw/zinc/68/35/00/1218683500.db2.gz XVPLABPOJSVOMU-TVFCKZIOSA-N 2 1 360.502 0.671 20 0 FCADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001097080268 1218683502 /nfs/dbraw/zinc/68/35/02/1218683502.db2.gz XVPLABPOJSVOMU-TVFCKZIOSA-N 2 1 360.502 0.671 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1 ZINC001097092372 1218686681 /nfs/dbraw/zinc/68/66/81/1218686681.db2.gz LATABYDZNAZUAW-QQXKLLMISA-N 2 1 365.518 0.837 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)C12CCC[NH+](CCC1)C2 ZINC001097317440 1218774157 /nfs/dbraw/zinc/77/41/57/1218774157.db2.gz AAGOYDNBVUUTAT-ZACQAIPSSA-N 2 1 358.490 0.876 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001226613429 1225848959 /nfs/dbraw/zinc/84/89/59/1225848959.db2.gz HOISGQLJPNGNPF-RBSFLKMASA-N 2 1 367.494 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@H+]1C ZINC001054134601 1218899120 /nfs/dbraw/zinc/89/91/20/1218899120.db2.gz IRLQCOIOPHGXLK-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001054134601 1218899122 /nfs/dbraw/zinc/89/91/22/1218899122.db2.gz IRLQCOIOPHGXLK-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001054134601 1218899123 /nfs/dbraw/zinc/89/91/23/1218899123.db2.gz IRLQCOIOPHGXLK-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[NH+]([C@H]2CCNC2=O)C3)CC[N@@H+]1C ZINC001054266196 1218901959 /nfs/dbraw/zinc/90/19/59/1218901959.db2.gz QBJATLDVANLDJY-XWIAVFTESA-N 2 1 356.470 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[NH+]([C@H]2CCNC2=O)C3)CC[N@H+]1C ZINC001054266196 1218901961 /nfs/dbraw/zinc/90/19/61/1218901961.db2.gz QBJATLDVANLDJY-XWIAVFTESA-N 2 1 356.470 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[N@H+]([C@H]2CCNC2=O)C3)CC[NH+]1C ZINC001054266196 1218901964 /nfs/dbraw/zinc/90/19/64/1218901964.db2.gz QBJATLDVANLDJY-XWIAVFTESA-N 2 1 356.470 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[N@@H+]([C@H]2CCNC2=O)C3)CC[NH+]1C ZINC001054266196 1218901969 /nfs/dbraw/zinc/90/19/69/1218901969.db2.gz QBJATLDVANLDJY-XWIAVFTESA-N 2 1 356.470 0.847 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000826882996 1218909925 /nfs/dbraw/zinc/90/99/25/1218909925.db2.gz QSCQGLHKBRKOLL-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226890807 1225856997 /nfs/dbraw/zinc/85/69/97/1225856997.db2.gz OSXALJDPHVGYAJ-RRFJBIMHSA-N 2 1 367.494 0.333 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000827043199 1218979869 /nfs/dbraw/zinc/97/98/69/1218979869.db2.gz HHVYFZPIBNVZGJ-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000827043199 1218979872 /nfs/dbraw/zinc/97/98/72/1218979872.db2.gz HHVYFZPIBNVZGJ-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000827043199 1218979879 /nfs/dbraw/zinc/97/98/79/1218979879.db2.gz HHVYFZPIBNVZGJ-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccon3)CC2)CC[N@@H+]1C ZINC001055531425 1219069517 /nfs/dbraw/zinc/06/95/17/1219069517.db2.gz DDEQDRBSCOFKFD-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccon3)CC2)CC[N@H+]1C ZINC001055531425 1219069523 /nfs/dbraw/zinc/06/95/23/1219069523.db2.gz DDEQDRBSCOFKFD-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001055538271 1219071796 /nfs/dbraw/zinc/07/17/96/1219071796.db2.gz BHBZQSGBHAOUOK-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055545323 1219074979 /nfs/dbraw/zinc/07/49/79/1219074979.db2.gz GFRGBTKBZFIPCG-PVAVHDDUSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055545323 1219074984 /nfs/dbraw/zinc/07/49/84/1219074984.db2.gz GFRGBTKBZFIPCG-PVAVHDDUSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055583120 1219087541 /nfs/dbraw/zinc/08/75/41/1219087541.db2.gz YZSRKGPNBYMUAX-RYQLBKOJSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)CC[N@H+]1C ZINC001055583159 1219088135 /nfs/dbraw/zinc/08/81/35/1219088135.db2.gz AXWIYVVJGLNYSF-UKRRQHHQSA-N 2 1 362.478 0.060 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804051646 1219105057 /nfs/dbraw/zinc/10/50/57/1219105057.db2.gz APOIPSXKILVEOZ-HZPDHXFCSA-N 2 1 364.490 0.053 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000804057587 1219111020 /nfs/dbraw/zinc/11/10/20/1219111020.db2.gz AZRMTDACWDJKNX-LUKYLMHMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000804058931 1219112494 /nfs/dbraw/zinc/11/24/94/1219112494.db2.gz GYWYMNXUQWIJDH-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059495 1219115422 /nfs/dbraw/zinc/11/54/22/1219115422.db2.gz IUNNTWTYGONNEJ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059495 1219115426 /nfs/dbraw/zinc/11/54/26/1219115426.db2.gz IUNNTWTYGONNEJ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059495 1219115429 /nfs/dbraw/zinc/11/54/29/1219115429.db2.gz IUNNTWTYGONNEJ-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070098885 1219171313 /nfs/dbraw/zinc/17/13/13/1219171313.db2.gz XWDQSBLRQATIPM-BBWFWOEESA-N 2 1 362.478 0.142 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070098885 1219171323 /nfs/dbraw/zinc/17/13/23/1219171323.db2.gz XWDQSBLRQATIPM-BBWFWOEESA-N 2 1 362.478 0.142 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001227524682 1225878390 /nfs/dbraw/zinc/87/83/90/1225878390.db2.gz CAEVDBGEVDZDLQ-GVDBMIGSSA-N 2 1 360.462 0.466 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227544195 1225878835 /nfs/dbraw/zinc/87/88/35/1225878835.db2.gz VMFLVFZFFCBCPK-BZUAXINKSA-N 2 1 364.490 0.786 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070208991 1219294664 /nfs/dbraw/zinc/29/46/64/1219294664.db2.gz HOMZJLYEVPAPGM-ZACQAIPSSA-N 2 1 362.478 0.283 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CC[NH+](C)C)CCOCC2)CC[N@H+]1C ZINC001070238681 1219312514 /nfs/dbraw/zinc/31/25/14/1219312514.db2.gz APECFBASEWJWAI-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327872 1219378266 /nfs/dbraw/zinc/37/82/66/1219378266.db2.gz GTLJMDSLOUPWFV-SJORKVTESA-N 2 1 370.461 0.014 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327727 1219378475 /nfs/dbraw/zinc/37/84/75/1219378475.db2.gz DQSXDZPNKOHECF-CVEARBPZSA-N 2 1 359.434 0.212 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070367156 1219398545 /nfs/dbraw/zinc/39/85/45/1219398545.db2.gz HNNHOFHYYANIDL-LMMKCTJWSA-N 2 1 362.518 0.966 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070525000 1219452698 /nfs/dbraw/zinc/45/26/98/1219452698.db2.gz OADRZOZXVYPYFG-SOLBZPMBSA-N 2 1 363.506 0.418 20 0 FCADMP COc1ccnc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277261522 1225893798 /nfs/dbraw/zinc/89/37/98/1225893798.db2.gz XQTYVIPTVANDOM-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070563969 1219471363 /nfs/dbraw/zinc/47/13/63/1219471363.db2.gz ODTCMOWBXDYTTI-JLJPHGGASA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070563969 1219471367 /nfs/dbraw/zinc/47/13/67/1219471367.db2.gz ODTCMOWBXDYTTI-JLJPHGGASA-N 2 1 358.446 0.444 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001070574777 1219476761 /nfs/dbraw/zinc/47/67/61/1219476761.db2.gz VJGJSOPZCXBTND-LXTVHRRPSA-N 2 1 364.494 0.979 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001070574777 1219476763 /nfs/dbraw/zinc/47/67/63/1219476763.db2.gz VJGJSOPZCXBTND-LXTVHRRPSA-N 2 1 364.494 0.979 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001070574777 1219476766 /nfs/dbraw/zinc/47/67/66/1219476766.db2.gz VJGJSOPZCXBTND-LXTVHRRPSA-N 2 1 364.494 0.979 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001277277538 1225899319 /nfs/dbraw/zinc/89/93/19/1225899319.db2.gz YMYCXNDKKSYKKZ-LJQANCHMSA-N 2 1 360.458 0.997 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001277277538 1225899321 /nfs/dbraw/zinc/89/93/21/1225899321.db2.gz YMYCXNDKKSYKKZ-LJQANCHMSA-N 2 1 360.458 0.997 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)O1 ZINC001070926264 1219582954 /nfs/dbraw/zinc/58/29/54/1219582954.db2.gz CFESMUMZUKVOPU-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)O1 ZINC001070926264 1219582957 /nfs/dbraw/zinc/58/29/57/1219582957.db2.gz CFESMUMZUKVOPU-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC001070926264 1219582960 /nfs/dbraw/zinc/58/29/60/1219582960.db2.gz CFESMUMZUKVOPU-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001070926264 1219582964 /nfs/dbraw/zinc/58/29/64/1219582964.db2.gz CFESMUMZUKVOPU-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001277283471 1225906288 /nfs/dbraw/zinc/90/62/88/1225906288.db2.gz QTDGBAHNJJFRQM-IBGZPJMESA-N 3 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001277283471 1225906293 /nfs/dbraw/zinc/90/62/93/1225906293.db2.gz QTDGBAHNJJFRQM-IBGZPJMESA-N 3 1 357.458 0.928 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071063225 1219598151 /nfs/dbraw/zinc/59/81/51/1219598151.db2.gz LBCLVEJOJYYTMI-MDZRGWNJSA-N 2 1 366.506 0.332 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCN(CC)C2=O)C3)CC[N@H+]1C ZINC001072755159 1219621369 /nfs/dbraw/zinc/62/13/69/1219621369.db2.gz WWQMPSBNJQRGDJ-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCN(CC)C2=O)C3)CC[NH+]1C ZINC001072755159 1219621371 /nfs/dbraw/zinc/62/13/71/1219621371.db2.gz WWQMPSBNJQRGDJ-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCN(CC)C2=O)C3)CC[NH+]1C ZINC001072755159 1219621374 /nfs/dbraw/zinc/62/13/74/1219621374.db2.gz WWQMPSBNJQRGDJ-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCc2cnn(C)c2)C3)O1 ZINC001072849751 1219624705 /nfs/dbraw/zinc/62/47/05/1219624705.db2.gz KQRLQHANTGMIDI-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCc2cnn(C)c2)C3)O1 ZINC001072849751 1219624708 /nfs/dbraw/zinc/62/47/08/1219624708.db2.gz KQRLQHANTGMIDI-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCc2cnn(C)c2)C3)O1 ZINC001072849751 1219624713 /nfs/dbraw/zinc/62/47/13/1219624713.db2.gz KQRLQHANTGMIDI-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCc2cnn(C)c2)C3)O1 ZINC001072849751 1219624717 /nfs/dbraw/zinc/62/47/17/1219624717.db2.gz KQRLQHANTGMIDI-NVXWUHKLSA-N 2 1 361.490 0.216 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)CC1 ZINC001228239079 1225904693 /nfs/dbraw/zinc/90/46/93/1225904693.db2.gz NZKLRLNELDHVJE-HUUCEWRRSA-N 2 1 361.494 0.867 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785692 1219681588 /nfs/dbraw/zinc/68/15/88/1219681588.db2.gz PLWQZEJHTWNPEO-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785692 1219681592 /nfs/dbraw/zinc/68/15/92/1219681592.db2.gz PLWQZEJHTWNPEO-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785692 1219681596 /nfs/dbraw/zinc/68/15/96/1219681596.db2.gz PLWQZEJHTWNPEO-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3CC2)CC[N@H+]1C ZINC001074337255 1219686147 /nfs/dbraw/zinc/68/61/47/1219686147.db2.gz KQEJVTGMYNDVBH-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074656386 1219711416 /nfs/dbraw/zinc/71/14/16/1219711416.db2.gz JPEVOQFGLRJZFO-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074656386 1219711418 /nfs/dbraw/zinc/71/14/18/1219711418.db2.gz JPEVOQFGLRJZFO-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074656386 1219711422 /nfs/dbraw/zinc/71/14/22/1219711422.db2.gz JPEVOQFGLRJZFO-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663184 1219712066 /nfs/dbraw/zinc/71/20/66/1219712066.db2.gz NSKNOYFAJOPBTP-QCEMKRCNSA-N 2 1 361.494 0.817 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)[C@@H]2C)CC[N@H+]1C ZINC001074663184 1219712068 /nfs/dbraw/zinc/71/20/68/1219712068.db2.gz NSKNOYFAJOPBTP-QCEMKRCNSA-N 2 1 361.494 0.817 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CCOCCO)CC2)CC[N@H+]1C ZINC001098371517 1219767676 /nfs/dbraw/zinc/76/76/76/1219767676.db2.gz WFXBDMAUNCVPGN-ZWKOTPCHSA-N 2 1 371.522 0.011 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CCO)CCOCCO)CC2)CC[NH+]1C ZINC001098371517 1219767679 /nfs/dbraw/zinc/76/76/79/1219767679.db2.gz WFXBDMAUNCVPGN-ZWKOTPCHSA-N 2 1 371.522 0.011 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CCO)CCOCCO)CC2)CC[NH+]1C ZINC001098371517 1219767683 /nfs/dbraw/zinc/76/76/83/1219767683.db2.gz WFXBDMAUNCVPGN-ZWKOTPCHSA-N 2 1 371.522 0.011 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445975 1219783091 /nfs/dbraw/zinc/78/30/91/1219783091.db2.gz ZJYAUCILIJRFGO-BDXSIMOUSA-N 2 1 374.485 0.328 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445975 1219783095 /nfs/dbraw/zinc/78/30/95/1219783095.db2.gz ZJYAUCILIJRFGO-BDXSIMOUSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445975 1219783098 /nfs/dbraw/zinc/78/30/98/1219783098.db2.gz ZJYAUCILIJRFGO-BDXSIMOUSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445975 1219783101 /nfs/dbraw/zinc/78/31/01/1219783101.db2.gz ZJYAUCILIJRFGO-BDXSIMOUSA-N 2 1 374.485 0.328 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001098446716 1219783325 /nfs/dbraw/zinc/78/33/25/1219783325.db2.gz KDRIMCMMUHUZAE-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001098446716 1219783327 /nfs/dbraw/zinc/78/33/27/1219783327.db2.gz KDRIMCMMUHUZAE-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)C1 ZINC001098446716 1219783328 /nfs/dbraw/zinc/78/33/28/1219783328.db2.gz KDRIMCMMUHUZAE-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)C1 ZINC001098446716 1219783329 /nfs/dbraw/zinc/78/33/29/1219783329.db2.gz KDRIMCMMUHUZAE-ZJPYXAASSA-N 2 1 361.490 0.405 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000749401774 1219799200 /nfs/dbraw/zinc/79/92/00/1219799200.db2.gz VTXJMYSTJSXXPU-INIZCTEOSA-N 2 1 359.474 0.360 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000749401774 1219799204 /nfs/dbraw/zinc/79/92/04/1219799204.db2.gz VTXJMYSTJSXXPU-INIZCTEOSA-N 2 1 359.474 0.360 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCOC)nn3)C2)CC[N@@H+]1C ZINC001098675392 1219810301 /nfs/dbraw/zinc/81/03/01/1219810301.db2.gz AHFWUIIKEYNUSY-YESZJQIVSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCOC)nn3)C2)CC[N@H+]1C ZINC001098675392 1219810302 /nfs/dbraw/zinc/81/03/02/1219810302.db2.gz AHFWUIIKEYNUSY-YESZJQIVSA-N 2 1 364.494 0.518 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841663 1219838914 /nfs/dbraw/zinc/83/89/14/1219838914.db2.gz MPWOCWMUYZPOLW-IEZWGBDMSA-N 2 1 358.490 0.628 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841663 1219838915 /nfs/dbraw/zinc/83/89/15/1219838915.db2.gz MPWOCWMUYZPOLW-IEZWGBDMSA-N 2 1 358.490 0.628 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464465 1219888717 /nfs/dbraw/zinc/88/87/17/1219888717.db2.gz XRXDUKKCGIWLLO-VQHPVUNQSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464465 1219888719 /nfs/dbraw/zinc/88/87/19/1219888719.db2.gz XRXDUKKCGIWLLO-VQHPVUNQSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464465 1219888722 /nfs/dbraw/zinc/88/87/22/1219888722.db2.gz XRXDUKKCGIWLLO-VQHPVUNQSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464465 1219888724 /nfs/dbraw/zinc/88/87/24/1219888724.db2.gz XRXDUKKCGIWLLO-VQHPVUNQSA-N 2 1 368.522 0.589 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001099101193 1219913269 /nfs/dbraw/zinc/91/32/69/1219913269.db2.gz MTLIBYXARIRKFS-ZWOKBUDYSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099279812 1219960606 /nfs/dbraw/zinc/96/06/06/1219960606.db2.gz XRNHXOKYOUFYJZ-OASPWFOLSA-N 2 1 369.347 0.801 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CCOCC3)C2)C1 ZINC001099403326 1219982240 /nfs/dbraw/zinc/98/22/40/1219982240.db2.gz KDBUADGGOIWBHZ-BJLQDIEVSA-N 2 1 365.518 0.962 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CCOCC3)C2)C1 ZINC001099403326 1219982245 /nfs/dbraw/zinc/98/22/45/1219982245.db2.gz KDBUADGGOIWBHZ-BJLQDIEVSA-N 2 1 365.518 0.962 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001099463821 1220005863 /nfs/dbraw/zinc/00/58/63/1220005863.db2.gz FBIXWIOGWZTTOW-FCEWJHQRSA-N 2 1 359.474 0.641 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267361 1220256126 /nfs/dbraw/zinc/25/61/26/1220256126.db2.gz AXGYEWQLWIQDFN-KPFFTGBYSA-N 2 1 364.534 0.879 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268567 1220257366 /nfs/dbraw/zinc/25/73/66/1220257366.db2.gz IVLPMPSCPAFVNK-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268567 1220257369 /nfs/dbraw/zinc/25/73/69/1220257369.db2.gz IVLPMPSCPAFVNK-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268567 1220257374 /nfs/dbraw/zinc/25/73/74/1220257374.db2.gz IVLPMPSCPAFVNK-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101278382 1220264713 /nfs/dbraw/zinc/26/47/13/1220264713.db2.gz GRVVYLMAFIJUIE-MJGOQNOKSA-N 2 1 365.518 0.652 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279347 1220264732 /nfs/dbraw/zinc/26/47/32/1220264732.db2.gz LUPQCYZTCZYQNL-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279347 1220264737 /nfs/dbraw/zinc/26/47/37/1220264737.db2.gz LUPQCYZTCZYQNL-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279347 1220264739 /nfs/dbraw/zinc/26/47/39/1220264739.db2.gz LUPQCYZTCZYQNL-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286388 1220268340 /nfs/dbraw/zinc/26/83/40/1220268340.db2.gz VPZBAGFBBWIUFU-BEFAXECRSA-N 2 1 359.474 0.434 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299059 1220276116 /nfs/dbraw/zinc/27/61/16/1220276116.db2.gz FMVOURYMBSVTBY-BEFAXECRSA-N 2 1 355.442 0.864 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101316995 1220284602 /nfs/dbraw/zinc/28/46/02/1220284602.db2.gz BBHWAWKVHBFFKT-MDZRGWNJSA-N 2 1 361.490 0.968 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101340050 1220292989 /nfs/dbraw/zinc/29/29/89/1220292989.db2.gz RNWMWGYGDUSIEA-LJCCNALRSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101340050 1220292995 /nfs/dbraw/zinc/29/29/95/1220292995.db2.gz RNWMWGYGDUSIEA-LJCCNALRSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101340050 1220293000 /nfs/dbraw/zinc/29/30/00/1220293000.db2.gz RNWMWGYGDUSIEA-LJCCNALRSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342736 1220295677 /nfs/dbraw/zinc/29/56/77/1220295677.db2.gz KXWRYCXMBATKLD-APWZRJJASA-N 2 1 364.534 0.977 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432205 1220341268 /nfs/dbraw/zinc/34/12/68/1220341268.db2.gz HHRFUKRSKNQODW-QKLQHJQFSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432205 1220341272 /nfs/dbraw/zinc/34/12/72/1220341272.db2.gz HHRFUKRSKNQODW-QKLQHJQFSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432205 1220341276 /nfs/dbraw/zinc/34/12/76/1220341276.db2.gz HHRFUKRSKNQODW-QKLQHJQFSA-N 2 1 362.518 0.635 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nn1C ZINC001101432611 1220341652 /nfs/dbraw/zinc/34/16/52/1220341652.db2.gz VWFXMKXPFSLLCH-APWZRJJASA-N 2 1 363.506 0.587 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nn1C ZINC001101432611 1220341657 /nfs/dbraw/zinc/34/16/57/1220341657.db2.gz VWFXMKXPFSLLCH-APWZRJJASA-N 2 1 363.506 0.587 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436670 1220344359 /nfs/dbraw/zinc/34/43/59/1220344359.db2.gz CFYPRLCXMHYCRU-LBTNJELSSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCCOCC)C[C@@]2(C)C1 ZINC001101438714 1220345838 /nfs/dbraw/zinc/34/58/38/1220345838.db2.gz PRGSJEIDYFOHCX-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCCOCC)C[C@@]2(C)C1 ZINC001101438714 1220345842 /nfs/dbraw/zinc/34/58/42/1220345842.db2.gz PRGSJEIDYFOHCX-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCCOCC)C[C@@]2(C)C1 ZINC001101438714 1220345846 /nfs/dbraw/zinc/34/58/46/1220345846.db2.gz PRGSJEIDYFOHCX-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461680 1220360051 /nfs/dbraw/zinc/36/00/51/1220360051.db2.gz OKAXUWJIDMTOEL-APWZRJJASA-N 2 1 361.490 0.840 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461680 1220360055 /nfs/dbraw/zinc/36/00/55/1220360055.db2.gz OKAXUWJIDMTOEL-APWZRJJASA-N 2 1 361.490 0.840 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476120 1220366275 /nfs/dbraw/zinc/36/62/75/1220366275.db2.gz CTBRDUUNEZJJGK-AOIWGVFYSA-N 2 1 363.506 0.365 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476120 1220366279 /nfs/dbraw/zinc/36/62/79/1220366279.db2.gz CTBRDUUNEZJJGK-AOIWGVFYSA-N 2 1 363.506 0.365 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476120 1220366283 /nfs/dbraw/zinc/36/62/83/1220366283.db2.gz CTBRDUUNEZJJGK-AOIWGVFYSA-N 2 1 363.506 0.365 20 0 FCADMP CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12 ZINC001101627563 1220378804 /nfs/dbraw/zinc/37/88/04/1220378804.db2.gz HTDPKJVWULREHW-OAGGEKHMSA-N 2 1 361.490 0.832 20 0 FCADMP CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccn12 ZINC001101627563 1220378806 /nfs/dbraw/zinc/37/88/06/1220378806.db2.gz HTDPKJVWULREHW-OAGGEKHMSA-N 2 1 361.490 0.832 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090754 1220493357 /nfs/dbraw/zinc/49/33/57/1220493357.db2.gz BYSYTFCILRAEBH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090754 1220493360 /nfs/dbraw/zinc/49/33/60/1220493360.db2.gz BYSYTFCILRAEBH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090754 1220493362 /nfs/dbraw/zinc/49/33/62/1220493362.db2.gz BYSYTFCILRAEBH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102101298 1220495604 /nfs/dbraw/zinc/49/56/04/1220495604.db2.gz WSQZJKKELYBSCD-ZACQAIPSSA-N 2 1 365.522 0.658 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102101298 1220495606 /nfs/dbraw/zinc/49/56/06/1220495606.db2.gz WSQZJKKELYBSCD-ZACQAIPSSA-N 2 1 365.522 0.658 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102101298 1220495607 /nfs/dbraw/zinc/49/56/07/1220495607.db2.gz WSQZJKKELYBSCD-ZACQAIPSSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108585 1220499410 /nfs/dbraw/zinc/49/94/10/1220499410.db2.gz SXRYJYQGPFAGIO-IAGOWNOFSA-N 2 1 364.490 0.601 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185530 1220541605 /nfs/dbraw/zinc/54/16/05/1220541605.db2.gz GVNHEIDAUFDFMB-SUMDDJOVSA-N 2 1 362.518 0.777 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273513 1220569407 /nfs/dbraw/zinc/56/94/07/1220569407.db2.gz FCWMURYRWJZRJQ-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273513 1220569416 /nfs/dbraw/zinc/56/94/16/1220569416.db2.gz FCWMURYRWJZRJQ-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273513 1220569418 /nfs/dbraw/zinc/56/94/18/1220569418.db2.gz FCWMURYRWJZRJQ-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320643 1220582438 /nfs/dbraw/zinc/58/24/38/1220582438.db2.gz MTFPKHIVXHTGIF-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370044 1220595148 /nfs/dbraw/zinc/59/51/48/1220595148.db2.gz PAOQWZBCAJOREL-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370044 1220595155 /nfs/dbraw/zinc/59/51/55/1220595155.db2.gz PAOQWZBCAJOREL-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370044 1220595162 /nfs/dbraw/zinc/59/51/62/1220595162.db2.gz PAOQWZBCAJOREL-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370111 1220596178 /nfs/dbraw/zinc/59/61/78/1220596178.db2.gz RHHZKBWXRGEESF-JFIYKMOQSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370111 1220596181 /nfs/dbraw/zinc/59/61/81/1220596181.db2.gz RHHZKBWXRGEESF-JFIYKMOQSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001102370111 1220596187 /nfs/dbraw/zinc/59/61/87/1220596187.db2.gz RHHZKBWXRGEESF-JFIYKMOQSA-N 2 1 364.534 0.881 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370156 1220596221 /nfs/dbraw/zinc/59/62/21/1220596221.db2.gz SLAPFRQWLCUPAY-JFIYKMOQSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370156 1220596229 /nfs/dbraw/zinc/59/62/29/1220596229.db2.gz SLAPFRQWLCUPAY-JFIYKMOQSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370156 1220596233 /nfs/dbraw/zinc/59/62/33/1220596233.db2.gz SLAPFRQWLCUPAY-JFIYKMOQSA-N 2 1 368.522 0.165 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(CCOC)no2)C[C@H]1C)[NH+](C)C ZINC001102377192 1220600240 /nfs/dbraw/zinc/60/02/40/1220600240.db2.gz SLHPYKBGZMESDA-KFWWJZLASA-N 2 1 367.494 0.783 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(CCOC)no2)C[C@H]1C)[NH+](C)C ZINC001102377192 1220600245 /nfs/dbraw/zinc/60/02/45/1220600245.db2.gz SLHPYKBGZMESDA-KFWWJZLASA-N 2 1 367.494 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430152 1220622171 /nfs/dbraw/zinc/62/21/71/1220622171.db2.gz GQEXXOBLZBILBH-UKRRQHHQSA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468698 1220637881 /nfs/dbraw/zinc/63/78/81/1220637881.db2.gz VUNQAUUGDAHSST-IAGOWNOFSA-N 2 1 363.506 0.369 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468698 1220637884 /nfs/dbraw/zinc/63/78/84/1220637884.db2.gz VUNQAUUGDAHSST-IAGOWNOFSA-N 2 1 363.506 0.369 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)C1=O ZINC001102468385 1220638658 /nfs/dbraw/zinc/63/86/58/1220638658.db2.gz FWMJCPOCBXFDPE-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)C1=O ZINC001102468385 1220638660 /nfs/dbraw/zinc/63/86/60/1220638660.db2.gz FWMJCPOCBXFDPE-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511120 1220669878 /nfs/dbraw/zinc/66/98/78/1220669878.db2.gz KDOZYSYZEXJKCK-NVXWUHKLSA-N 2 1 364.490 0.148 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)cn1 ZINC001102513737 1220671782 /nfs/dbraw/zinc/67/17/82/1220671782.db2.gz ZLMGPGOYJMHTFL-SJLPKXTDSA-N 2 1 365.522 0.708 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578326 1220700417 /nfs/dbraw/zinc/70/04/17/1220700417.db2.gz WEGNFLMRWWOWPR-BZUAXINKSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578326 1220700419 /nfs/dbraw/zinc/70/04/19/1220700419.db2.gz WEGNFLMRWWOWPR-BZUAXINKSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578326 1220700421 /nfs/dbraw/zinc/70/04/21/1220700421.db2.gz WEGNFLMRWWOWPR-BZUAXINKSA-N 2 1 367.538 0.720 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102579329 1220701144 /nfs/dbraw/zinc/70/11/44/1220701144.db2.gz SCKWUXPGGOMHEI-JKIFEVAISA-N 2 1 361.490 0.790 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102579329 1220701148 /nfs/dbraw/zinc/70/11/48/1220701148.db2.gz SCKWUXPGGOMHEI-JKIFEVAISA-N 2 1 361.490 0.790 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C ZINC001102581034 1220705801 /nfs/dbraw/zinc/70/58/01/1220705801.db2.gz WMXXPXOOFQSACF-BRWVUGGUSA-N 2 1 363.506 0.573 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596542 1220717987 /nfs/dbraw/zinc/71/79/87/1220717987.db2.gz LXSNLXYZGOZISD-BZUAXINKSA-N 2 1 363.510 0.831 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596542 1220717990 /nfs/dbraw/zinc/71/79/90/1220717990.db2.gz LXSNLXYZGOZISD-BZUAXINKSA-N 2 1 363.510 0.831 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599170 1220720980 /nfs/dbraw/zinc/72/09/80/1220720980.db2.gz SCNMTDNXTMQOHV-IAGOWNOFSA-N 2 1 365.522 0.572 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601034 1220722675 /nfs/dbraw/zinc/72/26/75/1220722675.db2.gz HKDQRNCFEFNSQS-BRWVUGGUSA-N 2 1 370.538 0.552 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601034 1220722680 /nfs/dbraw/zinc/72/26/80/1220722680.db2.gz HKDQRNCFEFNSQS-BRWVUGGUSA-N 2 1 370.538 0.552 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601034 1220722682 /nfs/dbraw/zinc/72/26/82/1220722682.db2.gz HKDQRNCFEFNSQS-BRWVUGGUSA-N 2 1 370.538 0.552 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001102783130 1220781266 /nfs/dbraw/zinc/78/12/66/1220781266.db2.gz WJWYGCNBXIVMRN-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001102783130 1220781270 /nfs/dbraw/zinc/78/12/70/1220781270.db2.gz WJWYGCNBXIVMRN-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001102783130 1220781275 /nfs/dbraw/zinc/78/12/75/1220781275.db2.gz WJWYGCNBXIVMRN-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001102783130 1220781279 /nfs/dbraw/zinc/78/12/79/1220781279.db2.gz WJWYGCNBXIVMRN-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783178 1220781320 /nfs/dbraw/zinc/78/13/20/1220781320.db2.gz YGQWNHWXADKZTP-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102783178 1220781324 /nfs/dbraw/zinc/78/13/24/1220781324.db2.gz YGQWNHWXADKZTP-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102783178 1220781332 /nfs/dbraw/zinc/78/13/32/1220781332.db2.gz YGQWNHWXADKZTP-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781988 1220781566 /nfs/dbraw/zinc/78/15/66/1220781566.db2.gz FXDPCUJLWFUVHG-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102781988 1220781570 /nfs/dbraw/zinc/78/15/70/1220781570.db2.gz FXDPCUJLWFUVHG-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102781988 1220781572 /nfs/dbraw/zinc/78/15/72/1220781572.db2.gz FXDPCUJLWFUVHG-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782266 1220781677 /nfs/dbraw/zinc/78/16/77/1220781677.db2.gz JHLRFADGDHIYBL-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102782266 1220781684 /nfs/dbraw/zinc/78/16/84/1220781684.db2.gz JHLRFADGDHIYBL-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102782266 1220781689 /nfs/dbraw/zinc/78/16/89/1220781689.db2.gz JHLRFADGDHIYBL-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102976912 1220815283 /nfs/dbraw/zinc/81/52/83/1220815283.db2.gz CQLJYBLABTUVDA-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102976912 1220815285 /nfs/dbraw/zinc/81/52/85/1220815285.db2.gz CQLJYBLABTUVDA-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102976912 1220815286 /nfs/dbraw/zinc/81/52/86/1220815286.db2.gz CQLJYBLABTUVDA-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102976912 1220815287 /nfs/dbraw/zinc/81/52/87/1220815287.db2.gz CQLJYBLABTUVDA-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993667 1220817341 /nfs/dbraw/zinc/81/73/41/1220817341.db2.gz DKHYUSWALAUGAP-NXHRZFHOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001103000149 1220818411 /nfs/dbraw/zinc/81/84/11/1220818411.db2.gz VKISDWOISYZXPR-QLFBSQMISA-N 2 1 364.494 0.006 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060595 1220826511 /nfs/dbraw/zinc/82/65/11/1220826511.db2.gz UUGDYHTUDTVHHU-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060595 1220826514 /nfs/dbraw/zinc/82/65/14/1220826514.db2.gz UUGDYHTUDTVHHU-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103060595 1220826516 /nfs/dbraw/zinc/82/65/16/1220826516.db2.gz UUGDYHTUDTVHHU-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083759 1220830433 /nfs/dbraw/zinc/83/04/33/1220830433.db2.gz IFQSIDAMNAUXLR-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083759 1220830435 /nfs/dbraw/zinc/83/04/35/1220830435.db2.gz IFQSIDAMNAUXLR-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089883 1220830748 /nfs/dbraw/zinc/83/07/48/1220830748.db2.gz DQIBDRZWXSTODV-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103089883 1220830749 /nfs/dbraw/zinc/83/07/49/1220830749.db2.gz DQIBDRZWXSTODV-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103089883 1220830751 /nfs/dbraw/zinc/83/07/51/1220830751.db2.gz DQIBDRZWXSTODV-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136421 1220839167 /nfs/dbraw/zinc/83/91/67/1220839167.db2.gz BWYPRWSUKAHFCY-BRSBDYLESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136421 1220839168 /nfs/dbraw/zinc/83/91/68/1220839168.db2.gz BWYPRWSUKAHFCY-BRSBDYLESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136421 1220839170 /nfs/dbraw/zinc/83/91/70/1220839170.db2.gz BWYPRWSUKAHFCY-BRSBDYLESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136421 1220839171 /nfs/dbraw/zinc/83/91/71/1220839171.db2.gz BWYPRWSUKAHFCY-BRSBDYLESA-N 2 1 371.522 0.443 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141751 1220839980 /nfs/dbraw/zinc/83/99/80/1220839980.db2.gz SIGURQMSVKUYHL-KURKYZTESA-N 2 1 367.534 0.944 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103192124 1220848823 /nfs/dbraw/zinc/84/88/23/1220848823.db2.gz BFIXUIWXFSYYMX-UNEWFSDZSA-N 2 1 355.442 0.911 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308880 1220864957 /nfs/dbraw/zinc/86/49/57/1220864957.db2.gz JNNHRGCURYJDBD-ZIAGYGMSSA-N 2 1 367.494 0.130 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380448 1220874361 /nfs/dbraw/zinc/87/43/61/1220874361.db2.gz XEBQFNMHERQUCZ-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103445011 1220884766 /nfs/dbraw/zinc/88/47/66/1220884766.db2.gz UFJTVQINLULVDT-KFWWJZLASA-N 2 1 369.510 0.247 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)o1 ZINC001103642233 1220926547 /nfs/dbraw/zinc/92/65/47/1220926547.db2.gz VRBYOBRBARUYNS-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)o1 ZINC001103642233 1220926549 /nfs/dbraw/zinc/92/65/49/1220926549.db2.gz VRBYOBRBARUYNS-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723362 1220951797 /nfs/dbraw/zinc/95/17/97/1220951797.db2.gz GPAYXIWAUXCFGJ-HZPDHXFCSA-N 2 1 364.490 0.305 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722423 1220953207 /nfs/dbraw/zinc/95/32/07/1220953207.db2.gz MUAHVJNKMDFUEA-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999905 1220996764 /nfs/dbraw/zinc/99/67/64/1220996764.db2.gz ORJYBNIBICLPRT-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999995 1220996937 /nfs/dbraw/zinc/99/69/37/1220996937.db2.gz RIAUYWNAFVASDF-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033639 1221000424 /nfs/dbraw/zinc/00/04/24/1221000424.db2.gz APFWSQPIKODIEJ-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033639 1221000428 /nfs/dbraw/zinc/00/04/28/1221000428.db2.gz APFWSQPIKODIEJ-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104217589 1221023203 /nfs/dbraw/zinc/02/32/03/1221023203.db2.gz QDAQCQCJODHIAL-XJKCOSOUSA-N 2 1 362.478 0.350 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104217589 1221023207 /nfs/dbraw/zinc/02/32/07/1221023207.db2.gz QDAQCQCJODHIAL-XJKCOSOUSA-N 2 1 362.478 0.350 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2)[NH+](C)C ZINC001111789281 1221109852 /nfs/dbraw/zinc/10/98/52/1221109852.db2.gz KFLPYQDBUSHPEF-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796066 1221113626 /nfs/dbraw/zinc/11/36/26/1221113626.db2.gz RVYJLSVZLBQZDY-VCBZYWHSSA-N 2 1 359.474 0.752 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796065 1221113817 /nfs/dbraw/zinc/11/38/17/1221113817.db2.gz RVYJLSVZLBQZDY-DOXZYTNZSA-N 2 1 359.474 0.752 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)c1ccc2c[nH+]cn2c1 ZINC001111807896 1221121260 /nfs/dbraw/zinc/12/12/60/1221121260.db2.gz LSHGOTATYKCRPF-LPHOPBHVSA-N 2 1 358.442 0.928 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)CC1 ZINC001111855967 1221138428 /nfs/dbraw/zinc/13/84/28/1221138428.db2.gz UVMTXTPOKMJNJK-JXFKEZNVSA-N 2 1 362.518 0.921 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857924 1221138604 /nfs/dbraw/zinc/13/86/04/1221138604.db2.gz FTTUDTWPSPXEQF-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)CC1 ZINC001111859866 1221139283 /nfs/dbraw/zinc/13/92/83/1221139283.db2.gz FOOKNNXJBPRSGA-PXNSSMCTSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)CC1 ZINC001111859866 1221139285 /nfs/dbraw/zinc/13/92/85/1221139285.db2.gz FOOKNNXJBPRSGA-PXNSSMCTSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111870733 1221143828 /nfs/dbraw/zinc/14/38/28/1221143828.db2.gz LVZUYBZLORTVED-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111870733 1221143831 /nfs/dbraw/zinc/14/38/31/1221143831.db2.gz LVZUYBZLORTVED-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111870733 1221143840 /nfs/dbraw/zinc/14/38/40/1221143840.db2.gz LVZUYBZLORTVED-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111951140 1221182142 /nfs/dbraw/zinc/18/21/42/1221182142.db2.gz UXPIEPVKPBAZEK-KHYOSLBOSA-N 2 1 364.490 0.494 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111951140 1221182148 /nfs/dbraw/zinc/18/21/48/1221182148.db2.gz UXPIEPVKPBAZEK-KHYOSLBOSA-N 2 1 364.490 0.494 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111951140 1221182150 /nfs/dbraw/zinc/18/21/50/1221182150.db2.gz UXPIEPVKPBAZEK-KHYOSLBOSA-N 2 1 364.490 0.494 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983128 1221193060 /nfs/dbraw/zinc/19/30/60/1221193060.db2.gz CJPIVCSSSRWUFL-AOIWGVFYSA-N 2 1 366.506 0.062 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983128 1221193061 /nfs/dbraw/zinc/19/30/61/1221193061.db2.gz CJPIVCSSSRWUFL-AOIWGVFYSA-N 2 1 366.506 0.062 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983128 1221193062 /nfs/dbraw/zinc/19/30/62/1221193062.db2.gz CJPIVCSSSRWUFL-AOIWGVFYSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112285218 1221230621 /nfs/dbraw/zinc/23/06/21/1221230621.db2.gz PRKZKKONHIYTIQ-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291269 1221232729 /nfs/dbraw/zinc/23/27/29/1221232729.db2.gz DHQIOCAGUXMESE-SCTDSRPQSA-N 2 1 369.506 0.198 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291269 1221232731 /nfs/dbraw/zinc/23/27/31/1221232731.db2.gz DHQIOCAGUXMESE-SCTDSRPQSA-N 2 1 369.506 0.198 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291432 1221232842 /nfs/dbraw/zinc/23/28/42/1221232842.db2.gz KLISOHJRDGQGQO-BXWFABGCSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291432 1221232847 /nfs/dbraw/zinc/23/28/47/1221232847.db2.gz KLISOHJRDGQGQO-BXWFABGCSA-N 2 1 366.506 0.060 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001112396891 1221252120 /nfs/dbraw/zinc/25/21/20/1221252120.db2.gz IXFQFWVUGPDZPX-LNLFQRSKSA-N 2 1 363.506 0.678 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229693427 1226028715 /nfs/dbraw/zinc/02/87/15/1226028715.db2.gz SCVFZYHHVIBEDZ-BRWVUGGUSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1ccc(NC(=O)C(=O)NCC[NH+]2CC=CC2)c(OCC[NH+](C)C)c1 ZINC001116730603 1221385748 /nfs/dbraw/zinc/38/57/48/1221385748.db2.gz VXYJGQCTCAXMHH-UHFFFAOYSA-N 2 1 360.458 0.862 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116791772 1221391227 /nfs/dbraw/zinc/39/12/27/1221391227.db2.gz SEDZJEPTIBWMSO-QGZVFWFLSA-N 2 1 370.457 0.940 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001230138850 1226057379 /nfs/dbraw/zinc/05/73/79/1226057379.db2.gz TXUIVUCKVZIKKD-RRFJBIMHSA-N 2 1 360.462 0.384 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)CC1 ZINC001118131005 1221716721 /nfs/dbraw/zinc/71/67/21/1221716721.db2.gz PSDMCNSTXHILOX-UHFFFAOYSA-N 2 1 371.489 0.304 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118678845 1221818399 /nfs/dbraw/zinc/81/83/99/1221818399.db2.gz RVLIQIMJNLDQOV-SJORKVTESA-N 2 1 364.490 0.053 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362158 1221905988 /nfs/dbraw/zinc/90/59/88/1221905988.db2.gz ILOFBILMSSLPCP-WMZOPIPTSA-N 2 1 360.502 0.987 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410145 1221913451 /nfs/dbraw/zinc/91/34/51/1221913451.db2.gz UVYGVDWPMMXFHN-JKSUJKDBSA-N 2 1 366.506 0.109 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119482217 1221923053 /nfs/dbraw/zinc/92/30/53/1221923053.db2.gz FIORMZPBCQBIFC-RCCFBDPRSA-N 2 1 367.538 0.552 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]1 ZINC001120655113 1222112030 /nfs/dbraw/zinc/11/20/30/1222112030.db2.gz STQWRHHCJDLGEL-MRXNPFEDSA-N 2 1 374.489 0.655 20 0 FCADMP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCC[N@H+](C)C3)n2C)CC1 ZINC001121524060 1222189313 /nfs/dbraw/zinc/18/93/13/1222189313.db2.gz NCQJGWSTKLUEPL-HNNXBMFYSA-N 2 1 366.510 0.408 20 0 FCADMP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+](C)C3)n2C)CC1 ZINC001121524060 1222189316 /nfs/dbraw/zinc/18/93/16/1222189316.db2.gz NCQJGWSTKLUEPL-HNNXBMFYSA-N 2 1 366.510 0.408 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069795 1222238386 /nfs/dbraw/zinc/23/83/86/1222238386.db2.gz GALDXTLWWGNOPR-YESZJQIVSA-N 2 1 363.506 0.606 20 0 FCADMP COCCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001122288369 1222260312 /nfs/dbraw/zinc/26/03/12/1222260312.db2.gz IYNJYVJFFYHSTF-INIZCTEOSA-N 2 1 366.510 0.502 20 0 FCADMP COCCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001122288369 1222260317 /nfs/dbraw/zinc/26/03/17/1222260317.db2.gz IYNJYVJFFYHSTF-INIZCTEOSA-N 2 1 366.510 0.502 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCCC[NH2+]1 ZINC001122392562 1222270911 /nfs/dbraw/zinc/27/09/11/1222270911.db2.gz VQADATHYVJUCKW-SJORKVTESA-N 2 1 366.506 0.348 20 0 FCADMP O=C1N[C@H]2C[NH+](C/C=C/C[N@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915176 1222485798 /nfs/dbraw/zinc/48/57/98/1222485798.db2.gz BEMFOJUURMBYDZ-YNUZLXHFSA-N 2 1 364.446 0.403 20 0 FCADMP O=C1N[C@H]2C[N@H+](C/C=C/C[NH+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915176 1222485801 /nfs/dbraw/zinc/48/58/01/1222485801.db2.gz BEMFOJUURMBYDZ-YNUZLXHFSA-N 2 1 364.446 0.403 20 0 FCADMP O=C1N[C@H]2C[N@@H+](C/C=C/C[NH+]3CC[C@H]4COC(=O)N[C@@H]4C3)CC[C@@H]2CO1 ZINC000830915176 1222485805 /nfs/dbraw/zinc/48/58/05/1222485805.db2.gz BEMFOJUURMBYDZ-YNUZLXHFSA-N 2 1 364.446 0.403 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cn3c(n1)COCC3)CC2 ZINC001141529534 1222693042 /nfs/dbraw/zinc/69/30/42/1222693042.db2.gz OODIEJAINIJWNW-UHFFFAOYSA-N 2 1 371.485 0.737 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cn3c(n1)COCC3)CC2 ZINC001141529534 1222693046 /nfs/dbraw/zinc/69/30/46/1222693046.db2.gz OODIEJAINIJWNW-UHFFFAOYSA-N 2 1 371.485 0.737 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109928 1222808030 /nfs/dbraw/zinc/80/80/30/1222808030.db2.gz OIUKLAYKASSHCH-YOEHRIQHSA-N 2 1 360.458 0.905 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000841148597 1222809933 /nfs/dbraw/zinc/80/99/33/1222809933.db2.gz URARXTKZMQNBRD-INIZCTEOSA-N 2 1 359.474 0.587 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841928017 1222832063 /nfs/dbraw/zinc/83/20/63/1222832063.db2.gz MQAPKJQVLVUGPD-OAHLLOKOSA-N 2 1 362.474 0.967 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841928017 1222832064 /nfs/dbraw/zinc/83/20/64/1222832064.db2.gz MQAPKJQVLVUGPD-OAHLLOKOSA-N 2 1 362.474 0.967 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841928016 1222832169 /nfs/dbraw/zinc/83/21/69/1222832169.db2.gz MQAPKJQVLVUGPD-HNNXBMFYSA-N 2 1 362.474 0.967 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841928016 1222832171 /nfs/dbraw/zinc/83/21/71/1222832171.db2.gz MQAPKJQVLVUGPD-HNNXBMFYSA-N 2 1 362.474 0.967 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842011503 1222832497 /nfs/dbraw/zinc/83/24/97/1222832497.db2.gz PEAAMAAHRIXLOT-PKOBYXMFSA-N 2 1 362.474 0.253 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188519 1222839301 /nfs/dbraw/zinc/83/93/01/1222839301.db2.gz HCRBYUYTMKKEER-FQEVSTJZSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000842191035 1222839755 /nfs/dbraw/zinc/83/97/55/1222839755.db2.gz VZQFGJARXDGWCX-KRWDZBQOSA-N 2 1 368.428 0.725 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000842191035 1222839760 /nfs/dbraw/zinc/83/97/60/1222839760.db2.gz VZQFGJARXDGWCX-KRWDZBQOSA-N 2 1 368.428 0.725 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842190928 1222839804 /nfs/dbraw/zinc/83/98/04/1222839804.db2.gz VCYTVEMCYFJPQO-PXNSSMCTSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843057865 1222858259 /nfs/dbraw/zinc/85/82/59/1222858259.db2.gz NAALLSBNBJYCAJ-AEFFLSMTSA-N 2 1 374.485 0.631 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C[C@@H]1C ZINC000843253488 1222865295 /nfs/dbraw/zinc/86/52/95/1222865295.db2.gz PUMKOLCZDQSSNZ-IYBDPMFKSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C[C@@H]1C ZINC000843253488 1222865296 /nfs/dbraw/zinc/86/52/96/1222865296.db2.gz PUMKOLCZDQSSNZ-IYBDPMFKSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000843253423 1222865315 /nfs/dbraw/zinc/86/53/15/1222865315.db2.gz PHIHNDRRTYPBFO-BBWFWOEESA-N 2 1 368.522 0.495 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000843253423 1222865318 /nfs/dbraw/zinc/86/53/18/1222865318.db2.gz PHIHNDRRTYPBFO-BBWFWOEESA-N 2 1 368.522 0.495 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000843253423 1222865321 /nfs/dbraw/zinc/86/53/21/1222865321.db2.gz PHIHNDRRTYPBFO-BBWFWOEESA-N 2 1 368.522 0.495 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000843253423 1222865323 /nfs/dbraw/zinc/86/53/23/1222865323.db2.gz PHIHNDRRTYPBFO-BBWFWOEESA-N 2 1 368.522 0.495 20 0 FCADMP [NH3+]CCCCCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000843258557 1222866969 /nfs/dbraw/zinc/86/69/69/1222866969.db2.gz BRRGKEJWTZOLCV-UHFFFAOYSA-N 2 1 368.522 0.773 20 0 FCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378473 1222874775 /nfs/dbraw/zinc/87/47/75/1222874775.db2.gz ZQZCAUANZHXYEJ-AWEZNQCLSA-N 2 1 365.478 0.723 20 0 FCADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001277697488 1226160537 /nfs/dbraw/zinc/16/05/37/1226160537.db2.gz CMGIGQGUVDGEHV-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)CCCO2)CC[N@@H+]1C ZINC001149734048 1222888442 /nfs/dbraw/zinc/88/84/42/1222888442.db2.gz RGUCTKLVHHFQKR-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)CCCO2)CC[N@H+]1C ZINC001149734048 1222888443 /nfs/dbraw/zinc/88/84/43/1222888443.db2.gz RGUCTKLVHHFQKR-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)CCCO2)CC[NH+]1C ZINC001149734048 1222888449 /nfs/dbraw/zinc/88/84/49/1222888449.db2.gz RGUCTKLVHHFQKR-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)CCCO2)CC[NH+]1C ZINC001149734048 1222888451 /nfs/dbraw/zinc/88/84/51/1222888451.db2.gz RGUCTKLVHHFQKR-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703914 1226163921 /nfs/dbraw/zinc/16/39/21/1226163921.db2.gz ISTWFYDJLQGVJX-FXAWDEMLSA-N 2 1 361.486 0.912 20 0 FCADMP CCOC(=O)[C@]12CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154687031 1223015946 /nfs/dbraw/zinc/01/59/46/1223015946.db2.gz KNTCIBFXYCAXGU-FOIQADDNSA-N 2 1 373.501 0.988 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081927 1223067544 /nfs/dbraw/zinc/06/75/44/1223067544.db2.gz FXQFKAZVZSINDU-XUWXXGDYSA-N 2 1 364.446 0.549 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157626615 1223079593 /nfs/dbraw/zinc/07/95/93/1223079593.db2.gz IBGFGWDUDJGQIO-UHFFFAOYSA-N 2 1 360.458 0.401 20 0 FCADMP CN1CCN(c2ccc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nn2)CC1 ZINC001157837756 1223083033 /nfs/dbraw/zinc/08/30/33/1223083033.db2.gz YQRPUXNVHFVLMN-UHFFFAOYSA-N 2 1 373.549 0.692 20 0 FCADMP [NH3+]C1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001158167404 1223090071 /nfs/dbraw/zinc/09/00/71/1223090071.db2.gz IRZLDTWLFNBNCD-QZTJIDSGSA-N 2 1 358.486 0.427 20 0 FCADMP [NH3+]CCN(c1ncc2c(n1)C[NH2+]C2)S(=O)(=O)c1cccc2cnccc21 ZINC001159067976 1223116720 /nfs/dbraw/zinc/11/67/20/1223116720.db2.gz PAFNECQPPJULLV-UHFFFAOYSA-N 2 1 370.438 0.782 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC001159123310 1223118061 /nfs/dbraw/zinc/11/80/61/1223118061.db2.gz HJIQPOBEUUVOFI-LPHOPBHVSA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC001159123310 1223118064 /nfs/dbraw/zinc/11/80/64/1223118064.db2.gz HJIQPOBEUUVOFI-LPHOPBHVSA-N 2 1 366.506 0.063 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161038 1223119610 /nfs/dbraw/zinc/11/96/10/1223119610.db2.gz WBJASOZEWTVFDK-HNNXBMFYSA-N 2 1 363.462 0.144 20 0 FCADMP CO[C@@H]1CCN(C(=O)C2(N)CC[NH2+]CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316772 1223124124 /nfs/dbraw/zinc/12/41/24/1223124124.db2.gz MISPAVXKAVCNAY-RCCFBDPRSA-N 2 1 373.501 0.210 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316202 1223124264 /nfs/dbraw/zinc/12/42/64/1223124264.db2.gz DFVFMHFNXOWFDO-BSDSXHPESA-N 3 1 361.490 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159316202 1223124265 /nfs/dbraw/zinc/12/42/65/1223124265.db2.gz DFVFMHFNXOWFDO-BSDSXHPESA-N 2 1 361.490 0.196 20 0 FCADMP [NH3+]Cc1ncc(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)s1 ZINC001159401799 1223126104 /nfs/dbraw/zinc/12/61/04/1223126104.db2.gz CPEQZTQPZIZICA-RWMBFGLXSA-N 2 1 374.470 0.663 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001159411431 1223126231 /nfs/dbraw/zinc/12/62/31/1223126231.db2.gz CACYAAHOZYYTOE-HXUWFJFHSA-N 2 1 357.502 0.975 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583495 1223129973 /nfs/dbraw/zinc/12/99/73/1223129973.db2.gz YIOHRCSANXZFEP-UHFFFAOYSA-N 3 1 373.505 0.156 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)[C@@H]2C ZINC001159633790 1223131757 /nfs/dbraw/zinc/13/17/57/1223131757.db2.gz RCRXTILQFWDYRN-ZIGSKRJUSA-N 2 1 360.506 0.848 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)[C@H]2C ZINC001159632942 1223131928 /nfs/dbraw/zinc/13/19/28/1223131928.db2.gz DDAFXFVVAITRMH-YOEHRIQHSA-N 2 1 373.505 0.930 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666250 1223132739 /nfs/dbraw/zinc/13/27/39/1223132739.db2.gz PQWBDWVWOPWOOV-IRXDYDNUSA-N 2 1 374.489 0.537 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666249 1223132849 /nfs/dbraw/zinc/13/28/49/1223132849.db2.gz PQWBDWVWOPWOOV-IAGOWNOFSA-N 2 1 374.489 0.537 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001159898668 1223139486 /nfs/dbraw/zinc/13/94/86/1223139486.db2.gz SLROWGCQLCYQDB-MOPGFXCFSA-N 2 1 370.453 0.914 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001159898668 1223139489 /nfs/dbraw/zinc/13/94/89/1223139489.db2.gz SLROWGCQLCYQDB-MOPGFXCFSA-N 2 1 370.453 0.914 20 0 FCADMP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065578 1223144015 /nfs/dbraw/zinc/14/40/15/1223144015.db2.gz LNGBMRPACYMQPQ-CABCVRRESA-N 2 1 358.421 0.862 20 0 FCADMP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155134 1223147623 /nfs/dbraw/zinc/14/76/23/1223147623.db2.gz DSFDJBVYARXUTF-ZSYWTGECSA-N 2 1 362.518 0.382 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001160422408 1223159183 /nfs/dbraw/zinc/15/91/83/1223159183.db2.gz FQOCRJTXPDMJSR-UJCHZGTJSA-N 2 1 358.486 0.863 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160442823 1223159995 /nfs/dbraw/zinc/15/99/95/1223159995.db2.gz AHXMPTYSQKAJDL-MRXNPFEDSA-N 2 1 353.426 0.860 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[NH+](CCc3ccncc3)CC2)C1=O ZINC001160489505 1223162607 /nfs/dbraw/zinc/16/26/07/1223162607.db2.gz ARALUDJHOPIOES-KRWDZBQOSA-N 2 1 359.474 0.108 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CCC([NH3+])CC3)cn21 ZINC001160522532 1223163496 /nfs/dbraw/zinc/16/34/96/1223163496.db2.gz LYMBTSHCWOQKSB-HNNXBMFYSA-N 2 1 357.462 0.211 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CCC([NH3+])CC3)cn21 ZINC001160522532 1223163498 /nfs/dbraw/zinc/16/34/98/1223163498.db2.gz LYMBTSHCWOQKSB-HNNXBMFYSA-N 2 1 357.462 0.211 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1)C1CC[NH2+]CC1 ZINC001160564979 1223164824 /nfs/dbraw/zinc/16/48/24/1223164824.db2.gz AIWMQKNCCKBVIV-KRWDZBQOSA-N 3 1 356.474 0.534 20 0 FCADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160742989 1223170697 /nfs/dbraw/zinc/17/06/97/1223170697.db2.gz KYCYXJTUCLVCAG-VXGBXAGGSA-N 2 1 372.395 0.869 20 0 FCADMP CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160787487 1223172489 /nfs/dbraw/zinc/17/24/89/1223172489.db2.gz JXYZYMPNPBGJCU-BBRMVZONSA-N 2 1 365.478 0.894 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)O1 ZINC001160850894 1223177416 /nfs/dbraw/zinc/17/74/16/1223177416.db2.gz JENAGVQQVQQYBK-IUODEOHRSA-N 2 1 363.462 0.375 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)O1 ZINC001160850894 1223177419 /nfs/dbraw/zinc/17/74/19/1223177419.db2.gz JENAGVQQVQQYBK-IUODEOHRSA-N 2 1 363.462 0.375 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001160857524 1223178057 /nfs/dbraw/zinc/17/80/57/1223178057.db2.gz IUTGGEIIDOKEKS-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001160857524 1223178059 /nfs/dbraw/zinc/17/80/59/1223178059.db2.gz IUTGGEIIDOKEKS-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001160857607 1223178435 /nfs/dbraw/zinc/17/84/35/1223178435.db2.gz MUEDFNSRQCBELP-BFYDXBDKSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001160857607 1223178438 /nfs/dbraw/zinc/17/84/38/1223178438.db2.gz MUEDFNSRQCBELP-BFYDXBDKSA-N 2 1 368.522 0.639 20 0 FCADMP CO[C@H](CN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160905228 1223180260 /nfs/dbraw/zinc/18/02/60/1223180260.db2.gz KZDBOVHOPNEHTR-LJQANCHMSA-N 2 1 360.502 0.860 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958122 1223181949 /nfs/dbraw/zinc/18/19/49/1223181949.db2.gz XOHBEAXBZCSIED-SNPRPXQTSA-N 3 1 359.478 0.697 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197026 1223188987 /nfs/dbraw/zinc/18/89/87/1223188987.db2.gz WIQRBBSBJMZALR-MJGOQNOKSA-N 3 1 366.550 0.925 20 0 FCADMP C[C@H]1CC[NH2+][C@@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197027 1223189266 /nfs/dbraw/zinc/18/92/66/1223189266.db2.gz WIQRBBSBJMZALR-PKOBYXMFSA-N 3 1 366.550 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+]([C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001162275601 1223212868 /nfs/dbraw/zinc/21/28/68/1223212868.db2.gz ZMUGRQULHJRCNV-OWCLPIDISA-N 2 1 368.522 0.435 20 0 FCADMP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162321169 1223213953 /nfs/dbraw/zinc/21/39/53/1223213953.db2.gz VDKURSBSCIXUEQ-BRWVUGGUSA-N 2 1 371.522 0.585 20 0 FCADMP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162321169 1223213959 /nfs/dbraw/zinc/21/39/59/1223213959.db2.gz VDKURSBSCIXUEQ-BRWVUGGUSA-N 2 1 371.522 0.585 20 0 FCADMP O=c1cc(CNc2ccc(N3CC[NH2+]CC3)nc2)nc2n1CCC[NH2+]C2 ZINC001163116731 1223225987 /nfs/dbraw/zinc/22/59/87/1223225987.db2.gz XIUZUBVFFIFRFS-UHFFFAOYSA-N 2 1 355.446 0.153 20 0 FCADMP CN(C)C1(C[NH2+]c2cccc(=NN3C(=O)CCC3=O)[nH]2)CC[NH+](C)CC1 ZINC001164211763 1223236176 /nfs/dbraw/zinc/23/61/76/1223236176.db2.gz SJPBQGFYILDEMG-UHFFFAOYSA-N 2 1 360.462 0.995 20 0 FCADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165109326 1223242240 /nfs/dbraw/zinc/24/22/40/1223242240.db2.gz TZJHMEJFCSJBQL-QGZVFWFLSA-N 2 1 360.506 0.966 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165371117 1223245409 /nfs/dbraw/zinc/24/54/09/1223245409.db2.gz CTXZBATUJCMRRR-LSDHHAIUSA-N 2 1 371.363 0.601 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001165727719 1223255433 /nfs/dbraw/zinc/25/54/33/1223255433.db2.gz HISIZBUEKSOCIP-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001165727719 1223255437 /nfs/dbraw/zinc/25/54/37/1223255437.db2.gz HISIZBUEKSOCIP-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCCO)C2)C1 ZINC001205584318 1223331952 /nfs/dbraw/zinc/33/19/52/1223331952.db2.gz PQBRHMDZXDKASL-CGTJXYLNSA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCCO)C2)C1 ZINC001205584318 1223331953 /nfs/dbraw/zinc/33/19/53/1223331953.db2.gz PQBRHMDZXDKASL-CGTJXYLNSA-N 2 1 365.449 0.423 20 0 FCADMP O=C1NC(=O)C2(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)N1 ZINC001206721534 1223367763 /nfs/dbraw/zinc/36/77/63/1223367763.db2.gz FXWJOVKJKMCHSB-UHFFFAOYSA-N 2 1 358.442 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001206986376 1223401999 /nfs/dbraw/zinc/40/19/99/1223401999.db2.gz DCBYLULBDGQTKU-CRAIPNDOSA-N 2 1 363.506 0.921 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206985274 1223402343 /nfs/dbraw/zinc/40/23/43/1223402343.db2.gz ZCEGRUFGSPCHHM-GDBMZVCRSA-N 2 1 364.494 0.019 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206985274 1223402347 /nfs/dbraw/zinc/40/23/47/1223402347.db2.gz ZCEGRUFGSPCHHM-GDBMZVCRSA-N 2 1 364.494 0.019 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207281379 1223433521 /nfs/dbraw/zinc/43/35/21/1223433521.db2.gz ARRIMMRNYRDKQE-UHFFFAOYSA-N 2 1 362.518 0.925 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207281379 1223433525 /nfs/dbraw/zinc/43/35/25/1223433525.db2.gz ARRIMMRNYRDKQE-UHFFFAOYSA-N 2 1 362.518 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207602348 1223460725 /nfs/dbraw/zinc/46/07/25/1223460725.db2.gz QJGMNGBSDIUAQH-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207602348 1223460727 /nfs/dbraw/zinc/46/07/27/1223460727.db2.gz QJGMNGBSDIUAQH-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207602348 1223460730 /nfs/dbraw/zinc/46/07/30/1223460730.db2.gz QJGMNGBSDIUAQH-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705633 1223472819 /nfs/dbraw/zinc/47/28/19/1223472819.db2.gz FVFMAUVMHXMVTL-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705633 1223472821 /nfs/dbraw/zinc/47/28/21/1223472821.db2.gz FVFMAUVMHXMVTL-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706389 1223472858 /nfs/dbraw/zinc/47/28/58/1223472858.db2.gz ZBERRYXOIJKWGC-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706389 1223472860 /nfs/dbraw/zinc/47/28/60/1223472860.db2.gz ZBERRYXOIJKWGC-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001207946400 1223499187 /nfs/dbraw/zinc/49/91/87/1223499187.db2.gz BHEBHWPTGRTOEA-RHSMWYFYSA-N 2 1 359.430 0.326 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208110883 1223516856 /nfs/dbraw/zinc/51/68/56/1223516856.db2.gz WRSDKNNNXOMFQF-FQEVSTJZSA-N 2 1 366.550 0.879 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CC3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001208107877 1223517019 /nfs/dbraw/zinc/51/70/19/1223517019.db2.gz WTRGCEWVQPOKBG-QZTJIDSGSA-N 3 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001208107877 1223517023 /nfs/dbraw/zinc/51/70/23/1223517023.db2.gz WTRGCEWVQPOKBG-QZTJIDSGSA-N 3 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001208107877 1223517027 /nfs/dbraw/zinc/51/70/27/1223517027.db2.gz WTRGCEWVQPOKBG-QZTJIDSGSA-N 3 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001208107877 1223517029 /nfs/dbraw/zinc/51/70/29/1223517029.db2.gz WTRGCEWVQPOKBG-QZTJIDSGSA-N 2 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001208107877 1223517033 /nfs/dbraw/zinc/51/70/33/1223517033.db2.gz WTRGCEWVQPOKBG-QZTJIDSGSA-N 2 1 366.550 0.829 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163428 1223520615 /nfs/dbraw/zinc/52/06/15/1223520615.db2.gz FTNNDPQHBAUEKD-MGPQQGTHSA-N 2 1 367.494 0.271 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163428 1223520618 /nfs/dbraw/zinc/52/06/18/1223520618.db2.gz FTNNDPQHBAUEKD-MGPQQGTHSA-N 2 1 367.494 0.271 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001208410736 1223540709 /nfs/dbraw/zinc/54/07/09/1223540709.db2.gz DBYXNMOJQYCORB-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001208410736 1223540711 /nfs/dbraw/zinc/54/07/11/1223540711.db2.gz DBYXNMOJQYCORB-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495874 1223550817 /nfs/dbraw/zinc/55/08/17/1223550817.db2.gz BBFSYERDIXEGMK-HLLBOEOZSA-N 2 1 367.465 0.954 20 0 FCADMP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208485157 1223551347 /nfs/dbraw/zinc/55/13/47/1223551347.db2.gz GSHQQDASFJPDGO-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208485157 1223551350 /nfs/dbraw/zinc/55/13/50/1223551350.db2.gz GSHQQDASFJPDGO-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP C[N@H+]1CCC[C@@H](CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615332 1223563845 /nfs/dbraw/zinc/56/38/45/1223563845.db2.gz VWPZEZSYOLOGMH-MKXGPGLRSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615332 1223563856 /nfs/dbraw/zinc/56/38/56/1223563856.db2.gz VWPZEZSYOLOGMH-MKXGPGLRSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615332 1223563861 /nfs/dbraw/zinc/56/38/61/1223563861.db2.gz VWPZEZSYOLOGMH-MKXGPGLRSA-N 2 1 365.518 0.914 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208627760 1223564769 /nfs/dbraw/zinc/56/47/69/1223564769.db2.gz AALHSEYLNFCGCU-QGPMSJSTSA-N 2 1 364.490 0.853 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208627760 1223564775 /nfs/dbraw/zinc/56/47/75/1223564775.db2.gz AALHSEYLNFCGCU-QGPMSJSTSA-N 2 1 364.490 0.853 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208676316 1223570052 /nfs/dbraw/zinc/57/00/52/1223570052.db2.gz MMADSQHBFOXPCE-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208676316 1223570060 /nfs/dbraw/zinc/57/00/60/1223570060.db2.gz MMADSQHBFOXPCE-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208676316 1223570065 /nfs/dbraw/zinc/57/00/65/1223570065.db2.gz MMADSQHBFOXPCE-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP CC(=O)N1CCC[C@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)C1 ZINC001208957078 1223588321 /nfs/dbraw/zinc/58/83/21/1223588321.db2.gz JTWZBCRXIGNPIC-YRXWBPOGSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001208957078 1223588323 /nfs/dbraw/zinc/58/83/23/1223588323.db2.gz JTWZBCRXIGNPIC-YRXWBPOGSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001208957078 1223588327 /nfs/dbraw/zinc/58/83/27/1223588327.db2.gz JTWZBCRXIGNPIC-YRXWBPOGSA-N 2 1 360.506 0.931 20 0 FCADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327160 1223611042 /nfs/dbraw/zinc/61/10/42/1223611042.db2.gz DJOFNOSQXMHLCU-JJRVBVJISA-N 2 1 357.458 0.924 20 0 FCADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327160 1223611045 /nfs/dbraw/zinc/61/10/45/1223611045.db2.gz DJOFNOSQXMHLCU-JJRVBVJISA-N 2 1 357.458 0.924 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209477904 1223623589 /nfs/dbraw/zinc/62/35/89/1223623589.db2.gz LHZWPCJAJQEXDN-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209477904 1223623592 /nfs/dbraw/zinc/62/35/92/1223623592.db2.gz LHZWPCJAJQEXDN-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP Nc1ccncc1C[N@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001209726732 1223643709 /nfs/dbraw/zinc/64/37/09/1223643709.db2.gz SRFGYHOKPCBJQO-INIZCTEOSA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001209726732 1223643712 /nfs/dbraw/zinc/64/37/12/1223643712.db2.gz SRFGYHOKPCBJQO-INIZCTEOSA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001209726732 1223643715 /nfs/dbraw/zinc/64/37/15/1223643715.db2.gz SRFGYHOKPCBJQO-INIZCTEOSA-N 2 1 360.458 0.582 20 0 FCADMP Nc1ccncc1CN1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001209726313 1223644028 /nfs/dbraw/zinc/64/40/28/1223644028.db2.gz PJHCYOLBNRSXPS-AOIWGVFYSA-N 2 1 360.458 0.865 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040761 1223663214 /nfs/dbraw/zinc/66/32/14/1223663214.db2.gz MFSFJHGKUWKFIA-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040761 1223663218 /nfs/dbraw/zinc/66/32/18/1223663218.db2.gz MFSFJHGKUWKFIA-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210040761 1223663221 /nfs/dbraw/zinc/66/32/21/1223663221.db2.gz MFSFJHGKUWKFIA-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040761 1223663225 /nfs/dbraw/zinc/66/32/25/1223663225.db2.gz MFSFJHGKUWKFIA-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041577 1223663597 /nfs/dbraw/zinc/66/35/97/1223663597.db2.gz VYWRXGSMPGGWGF-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041577 1223663598 /nfs/dbraw/zinc/66/35/98/1223663598.db2.gz VYWRXGSMPGGWGF-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041577 1223663599 /nfs/dbraw/zinc/66/35/99/1223663599.db2.gz VYWRXGSMPGGWGF-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041577 1223663600 /nfs/dbraw/zinc/66/36/00/1223663600.db2.gz VYWRXGSMPGGWGF-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298304 1223681591 /nfs/dbraw/zinc/68/15/91/1223681591.db2.gz ODRXXDFOODEYKS-ZTFGCOKTSA-N 2 1 367.465 0.874 20 0 FCADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298145 1223681675 /nfs/dbraw/zinc/68/16/75/1223681675.db2.gz LLOMWIZGZHYHKY-HLLBOEOZSA-N 2 1 370.538 0.694 20 0 FCADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298145 1223681677 /nfs/dbraw/zinc/68/16/77/1223681677.db2.gz LLOMWIZGZHYHKY-HLLBOEOZSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433611 1223691057 /nfs/dbraw/zinc/69/10/57/1223691057.db2.gz URJBLCGMILHEGA-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433611 1223691059 /nfs/dbraw/zinc/69/10/59/1223691059.db2.gz URJBLCGMILHEGA-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210484822 1223694710 /nfs/dbraw/zinc/69/47/10/1223694710.db2.gz DQJWLBHIUYYPNM-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210484822 1223694713 /nfs/dbraw/zinc/69/47/13/1223694713.db2.gz DQJWLBHIUYYPNM-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210484822 1223694717 /nfs/dbraw/zinc/69/47/17/1223694717.db2.gz DQJWLBHIUYYPNM-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210484822 1223694719 /nfs/dbraw/zinc/69/47/19/1223694719.db2.gz DQJWLBHIUYYPNM-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001210724529 1223704826 /nfs/dbraw/zinc/70/48/26/1223704826.db2.gz YQKAQJRXUKJETH-BFYDXBDKSA-N 2 1 361.490 0.706 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025560 1223720098 /nfs/dbraw/zinc/72/00/98/1223720098.db2.gz LSCWJFMLBBIAKD-HYVNUMGLSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025560 1223720099 /nfs/dbraw/zinc/72/00/99/1223720099.db2.gz LSCWJFMLBBIAKD-HYVNUMGLSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211025560 1223720102 /nfs/dbraw/zinc/72/01/02/1223720102.db2.gz LSCWJFMLBBIAKD-HYVNUMGLSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211025560 1223720103 /nfs/dbraw/zinc/72/01/03/1223720103.db2.gz LSCWJFMLBBIAKD-HYVNUMGLSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211039665 1223720667 /nfs/dbraw/zinc/72/06/67/1223720667.db2.gz SXVMYJBVNQDYLV-JFIYKMOQSA-N 2 1 369.506 0.075 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367621 1223737988 /nfs/dbraw/zinc/73/79/88/1223737988.db2.gz XXSCKSKUXHIWEA-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367621 1223737992 /nfs/dbraw/zinc/73/79/92/1223737992.db2.gz XXSCKSKUXHIWEA-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367621 1223737994 /nfs/dbraw/zinc/73/79/94/1223737994.db2.gz XXSCKSKUXHIWEA-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367621 1223737999 /nfs/dbraw/zinc/73/79/99/1223737999.db2.gz XXSCKSKUXHIWEA-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213339792 1223787669 /nfs/dbraw/zinc/78/76/69/1223787669.db2.gz AMXZSVKKLNKXCG-HZPDHXFCSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213339792 1223787671 /nfs/dbraw/zinc/78/76/71/1223787671.db2.gz AMXZSVKKLNKXCG-HZPDHXFCSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378433 1223792358 /nfs/dbraw/zinc/79/23/58/1223792358.db2.gz QIXDTHPQYDRMBW-KBAYOESNSA-N 2 1 365.474 0.193 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377990 1223792449 /nfs/dbraw/zinc/79/24/49/1223792449.db2.gz AJZBBXYWFWDPQT-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213456009 1223801252 /nfs/dbraw/zinc/80/12/52/1223801252.db2.gz ZEZXBTLNGPPPLA-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001213575185 1223816196 /nfs/dbraw/zinc/81/61/96/1223816196.db2.gz XOEYFKKHAJTDRI-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001213575185 1223816197 /nfs/dbraw/zinc/81/61/97/1223816197.db2.gz XOEYFKKHAJTDRI-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213745218 1223843298 /nfs/dbraw/zinc/84/32/98/1223843298.db2.gz YRWRJMAGAVXODO-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213763206 1223845530 /nfs/dbraw/zinc/84/55/30/1223845530.db2.gz HRGYMZAXASHZNQ-NVXWUHKLSA-N 2 1 366.510 0.654 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914437 1223871406 /nfs/dbraw/zinc/87/14/06/1223871406.db2.gz FZMHLXAXYOZNKH-KZNAEPCWSA-N 2 1 365.474 0.185 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001213914591 1223871423 /nfs/dbraw/zinc/87/14/23/1223871423.db2.gz MNKVLPWDFASZCD-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001213914591 1223871426 /nfs/dbraw/zinc/87/14/26/1223871426.db2.gz MNKVLPWDFASZCD-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214662045 1223930196 /nfs/dbraw/zinc/93/01/96/1223930196.db2.gz RIANTOTVPHPJFD-JHJVBQTASA-N 2 1 364.450 0.028 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214664052 1223930247 /nfs/dbraw/zinc/93/02/47/1223930247.db2.gz JKEJCJWONWOVCU-KLHDSHLOSA-N 2 1 367.538 0.861 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001214757644 1223939404 /nfs/dbraw/zinc/93/94/04/1223939404.db2.gz SBOPZXPFYBEANB-VHDGCEQUSA-N 2 1 367.473 0.624 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856003 1223948428 /nfs/dbraw/zinc/94/84/28/1223948428.db2.gz UHVFOIFXDXZWHN-QLFBSQMISA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214894464 1223952551 /nfs/dbraw/zinc/95/25/51/1223952551.db2.gz MGUNGKGWHIXXOE-KCYZZUKISA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1nncn1C ZINC001215015078 1223964358 /nfs/dbraw/zinc/96/43/58/1223964358.db2.gz FSGUGVIQRTVJDO-GDBMZVCRSA-N 2 1 357.462 0.673 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393168 1223995644 /nfs/dbraw/zinc/99/56/44/1223995644.db2.gz QLUCPQVTRNQLPJ-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393168 1223995648 /nfs/dbraw/zinc/99/56/48/1223995648.db2.gz QLUCPQVTRNQLPJ-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001215392858 1223995968 /nfs/dbraw/zinc/99/59/68/1223995968.db2.gz FHKZIDYKKUNPIT-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001215392858 1223995970 /nfs/dbraw/zinc/99/59/70/1223995970.db2.gz FHKZIDYKKUNPIT-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001215416693 1223998375 /nfs/dbraw/zinc/99/83/75/1223998375.db2.gz WTHKJIHISDKLLF-HUUCEWRRSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215539866 1224005167 /nfs/dbraw/zinc/00/51/67/1224005167.db2.gz AXHIRINLMACRPZ-MUKKUYKPSA-N 2 1 368.497 0.914 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1)[NH+]1CCCC1 ZINC001215598367 1224008311 /nfs/dbraw/zinc/00/83/11/1224008311.db2.gz AHOJURSKYXTDEO-HLLBOEOZSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2ccon2)C1)n1ccnc1 ZINC001215709608 1224013269 /nfs/dbraw/zinc/01/32/69/1224013269.db2.gz CMUDOLXJCZUQOI-HZSPNIEDSA-N 2 1 360.418 0.897 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215729388 1224013974 /nfs/dbraw/zinc/01/39/74/1224013974.db2.gz WQNQGZLLBXJRMT-FRRDWIJNSA-N 2 1 364.450 0.026 20 0 FCADMP CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215939191 1224025930 /nfs/dbraw/zinc/02/59/30/1224025930.db2.gz YFVOLOGYHQTKOJ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081753 1224033403 /nfs/dbraw/zinc/03/34/03/1224033403.db2.gz PFKIRGIBLAZASP-CZUORRHYSA-N 2 1 356.430 0.454 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001216402023 1224048853 /nfs/dbraw/zinc/04/88/53/1224048853.db2.gz SIMSIQLVDKWIMX-UKRRQHHQSA-N 2 1 364.494 0.207 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216510868 1224053891 /nfs/dbraw/zinc/05/38/91/1224053891.db2.gz BNKPQYSXWOIERE-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001216800758 1224073762 /nfs/dbraw/zinc/07/37/62/1224073762.db2.gz FJSUZPZJGYFGGX-OIISXLGYSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001216800758 1224073764 /nfs/dbraw/zinc/07/37/64/1224073764.db2.gz FJSUZPZJGYFGGX-OIISXLGYSA-N 2 1 366.506 0.060 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216845138 1224078592 /nfs/dbraw/zinc/07/85/92/1224078592.db2.gz YVINXGDHZVDHSZ-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216854274 1224078907 /nfs/dbraw/zinc/07/89/07/1224078907.db2.gz XCZMTNJMVVBPNT-IUODEOHRSA-N 2 1 364.494 0.742 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001216993645 1224083175 /nfs/dbraw/zinc/08/31/75/1224083175.db2.gz NNLZECVPPYSQSK-BPQIPLTHSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001216993645 1224083176 /nfs/dbraw/zinc/08/31/76/1224083176.db2.gz NNLZECVPPYSQSK-BPQIPLTHSA-N 2 1 358.486 0.786 20 0 FCADMP Cc1cncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC000978355584 1248731812 /nfs/dbraw/zinc/73/18/12/1248731812.db2.gz OJKFGXVXKBEZGM-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1cncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC000978355584 1248731817 /nfs/dbraw/zinc/73/18/17/1248731817.db2.gz OJKFGXVXKBEZGM-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1cncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC000978355584 1248731823 /nfs/dbraw/zinc/73/18/23/1248731823.db2.gz OJKFGXVXKBEZGM-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1cncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC000978355584 1248731830 /nfs/dbraw/zinc/73/18/30/1248731830.db2.gz OJKFGXVXKBEZGM-RXABAKJHSA-N 2 1 358.486 0.903 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988085438 1249331462 /nfs/dbraw/zinc/33/14/62/1249331462.db2.gz JKEWHXBTALBXBB-INMHGKMJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000993871053 1250036766 /nfs/dbraw/zinc/03/67/66/1250036766.db2.gz DJWJWJMTESDQHM-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986138 1245316664 /nfs/dbraw/zinc/31/66/64/1245316664.db2.gz GVDXXXVCHDHWEX-ZNMIVQPWSA-N 2 1 359.426 0.096 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986138 1245316667 /nfs/dbraw/zinc/31/66/67/1245316667.db2.gz GVDXXXVCHDHWEX-ZNMIVQPWSA-N 2 1 359.426 0.096 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCN(c2ccccc2)CC1 ZINC000849059316 1245391765 /nfs/dbraw/zinc/39/17/65/1245391765.db2.gz OTJOKKCOHYFDQX-UHFFFAOYSA-N 2 1 374.533 0.645 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(N2CCOC2=O)c1 ZINC000849071777 1245391978 /nfs/dbraw/zinc/39/19/78/1245391978.db2.gz HUZXMPLNOCJXIE-UHFFFAOYSA-N 2 1 361.446 0.979 20 0 FCADMP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)CN1CC[NH+](C)CC1 ZINC000849071671 1245392035 /nfs/dbraw/zinc/39/20/35/1245392035.db2.gz SQRHTWNLSHURDT-INIZCTEOSA-N 2 1 360.510 0.006 20 0 FCADMP Cn1c2ccccc2cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1=O ZINC000849102903 1245392695 /nfs/dbraw/zinc/39/26/95/1245392695.db2.gz VLPNAUPNXAYHEJ-UHFFFAOYSA-N 2 1 357.458 0.875 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891480248 1245452252 /nfs/dbraw/zinc/45/22/52/1245452252.db2.gz ADNJKCABIQHWDW-YYIAUSFCSA-N 2 1 365.522 0.759 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563225 1245455350 /nfs/dbraw/zinc/45/53/50/1245455350.db2.gz BFKPWNGOTRLXEW-DLBZAZTESA-N 2 1 367.538 0.470 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897428576 1245471780 /nfs/dbraw/zinc/47/17/80/1245471780.db2.gz MJZRYIBRXNBDDY-MRXNPFEDSA-N 2 1 365.522 0.524 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897428576 1245471784 /nfs/dbraw/zinc/47/17/84/1245471784.db2.gz MJZRYIBRXNBDDY-MRXNPFEDSA-N 2 1 365.522 0.524 20 0 FCADMP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923264672 1245703508 /nfs/dbraw/zinc/70/35/08/1245703508.db2.gz UWYBSUOFYAXPGO-OEXSFMSHSA-N 2 1 366.481 0.715 20 0 FCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923264672 1245703510 /nfs/dbraw/zinc/70/35/10/1245703510.db2.gz UWYBSUOFYAXPGO-OEXSFMSHSA-N 2 1 366.481 0.715 20 0 FCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923264672 1245703513 /nfs/dbraw/zinc/70/35/13/1245703513.db2.gz UWYBSUOFYAXPGO-OEXSFMSHSA-N 2 1 366.481 0.715 20 0 FCADMP Cc1ccc(OCC(=O)N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923311528 1245706661 /nfs/dbraw/zinc/70/66/61/1245706661.db2.gz YVWAOMMQDFOTBK-GOSISDBHSA-N 2 1 359.470 0.897 20 0 FCADMP COc1cccc(CC(=O)N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923310194 1245706822 /nfs/dbraw/zinc/70/68/22/1245706822.db2.gz YUXUXWNXEFPLDJ-SFHVURJKSA-N 2 1 359.470 0.760 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923321511 1245709177 /nfs/dbraw/zinc/70/91/77/1245709177.db2.gz GPZAMPSBWJEWKM-MSOLQXFVSA-N 2 1 366.506 0.792 20 0 FCADMP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000936084030 1245750848 /nfs/dbraw/zinc/75/08/48/1245750848.db2.gz OTWHVDPNYMZOHM-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000936084030 1245750853 /nfs/dbraw/zinc/75/08/53/1245750853.db2.gz OTWHVDPNYMZOHM-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000938680981 1245897325 /nfs/dbraw/zinc/89/73/25/1245897325.db2.gz BFJJRMPNCCXLTQ-BZUAXINKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000938680981 1245897329 /nfs/dbraw/zinc/89/73/29/1245897329.db2.gz BFJJRMPNCCXLTQ-BZUAXINKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940310755 1246277794 /nfs/dbraw/zinc/27/77/94/1246277794.db2.gz HQGGPXGJJJBJGB-HZPDHXFCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000940761371 1246378524 /nfs/dbraw/zinc/37/85/24/1246378524.db2.gz DVQFDTLKCGOYNY-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000940761371 1246378531 /nfs/dbraw/zinc/37/85/31/1246378531.db2.gz DVQFDTLKCGOYNY-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941786469 1246826355 /nfs/dbraw/zinc/82/63/55/1246826355.db2.gz WVMGOGVYFYZUJF-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000994211912 1250287755 /nfs/dbraw/zinc/28/77/55/1250287755.db2.gz AWJRXCFBULTBKX-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000994211912 1250287762 /nfs/dbraw/zinc/28/77/62/1250287762.db2.gz AWJRXCFBULTBKX-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942132789 1246994059 /nfs/dbraw/zinc/99/40/59/1246994059.db2.gz DXJFNOFBUNQSDB-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548270 1247122578 /nfs/dbraw/zinc/12/25/78/1247122578.db2.gz RBCJNCQNXWBDQF-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300559 1247291147 /nfs/dbraw/zinc/29/11/47/1247291147.db2.gz GIPWVOINTTZMLG-BZUAXINKSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300559 1247291160 /nfs/dbraw/zinc/29/11/60/1247291160.db2.gz GIPWVOINTTZMLG-BZUAXINKSA-N 2 1 363.462 0.018 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000994248663 1250317344 /nfs/dbraw/zinc/31/73/44/1250317344.db2.gz KIZLPBZGPCPYAI-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000994248663 1250317354 /nfs/dbraw/zinc/31/73/54/1250317354.db2.gz KIZLPBZGPCPYAI-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000943466132 1247331218 /nfs/dbraw/zinc/33/12/18/1247331218.db2.gz QYNCPYSBAVOURE-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000944104356 1247477700 /nfs/dbraw/zinc/47/77/00/1247477700.db2.gz DVCOJMYTMRUXRQ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000944104356 1247477708 /nfs/dbraw/zinc/47/77/08/1247477708.db2.gz DVCOJMYTMRUXRQ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4nncn4C)C[C@H]3CC2)CC[N@H+]1C ZINC000946595155 1247907927 /nfs/dbraw/zinc/90/79/27/1247907927.db2.gz LFCCAZZUTSCVEX-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4nncn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946595155 1247907941 /nfs/dbraw/zinc/90/79/41/1247907941.db2.gz LFCCAZZUTSCVEX-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4nncn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946595155 1247907961 /nfs/dbraw/zinc/90/79/61/1247907961.db2.gz LFCCAZZUTSCVEX-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631727 1247927685 /nfs/dbraw/zinc/92/76/85/1247927685.db2.gz VVNARTJBOIAZAF-YCCFLXJFSA-N 2 1 359.474 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946928162 1248083610 /nfs/dbraw/zinc/08/36/10/1248083610.db2.gz VWNOGVSFDQUSDP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946928162 1248083620 /nfs/dbraw/zinc/08/36/20/1248083620.db2.gz VWNOGVSFDQUSDP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000946928162 1248083629 /nfs/dbraw/zinc/08/36/29/1248083629.db2.gz VWNOGVSFDQUSDP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000946928162 1248083635 /nfs/dbraw/zinc/08/36/35/1248083635.db2.gz VWNOGVSFDQUSDP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1C ZINC000976601919 1248280791 /nfs/dbraw/zinc/28/07/91/1248280791.db2.gz YXODXBUMTPFBMY-MBEHMYBOSA-N 2 1 362.518 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000976601919 1248280797 /nfs/dbraw/zinc/28/07/97/1248280797.db2.gz YXODXBUMTPFBMY-MBEHMYBOSA-N 2 1 362.518 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000976601919 1248280804 /nfs/dbraw/zinc/28/08/04/1248280804.db2.gz YXODXBUMTPFBMY-MBEHMYBOSA-N 2 1 362.518 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC000976606015 1248287646 /nfs/dbraw/zinc/28/76/46/1248287646.db2.gz AKDPSSGCCZNCMZ-DWMDIXPDSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976606015 1248287659 /nfs/dbraw/zinc/28/76/59/1248287659.db2.gz AKDPSSGCCZNCMZ-DWMDIXPDSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976606015 1248287670 /nfs/dbraw/zinc/28/76/70/1248287670.db2.gz AKDPSSGCCZNCMZ-DWMDIXPDSA-N 2 1 362.518 0.774 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCC1 ZINC000994844218 1250701696 /nfs/dbraw/zinc/70/16/96/1250701696.db2.gz CWWDLAOPJOHAGJ-OIISXLGYSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCC1 ZINC000994844218 1250701711 /nfs/dbraw/zinc/70/17/11/1250701711.db2.gz CWWDLAOPJOHAGJ-OIISXLGYSA-N 2 1 366.506 0.153 20 0 FCADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956937 1251091871 /nfs/dbraw/zinc/09/18/71/1251091871.db2.gz IRXYNBXCFMXETA-XYPHTWIQSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956937 1251091875 /nfs/dbraw/zinc/09/18/75/1251091875.db2.gz IRXYNBXCFMXETA-XYPHTWIQSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)O1 ZINC000995959184 1251093707 /nfs/dbraw/zinc/09/37/07/1251093707.db2.gz OISWNSXDKGSELC-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)O1 ZINC000995959184 1251093717 /nfs/dbraw/zinc/09/37/17/1251093717.db2.gz OISWNSXDKGSELC-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)nnn1C1CC[NH2+]CC1 ZINC001328525332 1265568838 /nfs/dbraw/zinc/56/88/38/1265568838.db2.gz PZCHRUONBLMDGZ-AWEZNQCLSA-N 2 1 358.450 0.031 20 0 FCADMP CCn1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000997858605 1251727497 /nfs/dbraw/zinc/72/74/97/1251727497.db2.gz HVEBFYCRLNEFPU-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000997858605 1251727505 /nfs/dbraw/zinc/72/75/05/1251727505.db2.gz HVEBFYCRLNEFPU-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000998465419 1251888286 /nfs/dbraw/zinc/88/82/86/1251888286.db2.gz DLWMKDCKAIYSMQ-OWSLCNJRSA-N 2 1 371.485 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000998467061 1251889588 /nfs/dbraw/zinc/88/95/88/1251889588.db2.gz RQEWLKJDQIIUGZ-PMPSAXMXSA-N 2 1 357.458 0.535 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000998982696 1252014025 /nfs/dbraw/zinc/01/40/25/1252014025.db2.gz GRXMKBQSDRQVJX-YOODTLSXSA-N 2 1 361.486 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000998982696 1252014034 /nfs/dbraw/zinc/01/40/34/1252014034.db2.gz GRXMKBQSDRQVJX-YOODTLSXSA-N 2 1 361.486 0.977 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495919 1252127503 /nfs/dbraw/zinc/12/75/03/1252127503.db2.gz MOLSTVROYPDWEN-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495919 1252127506 /nfs/dbraw/zinc/12/75/06/1252127506.db2.gz MOLSTVROYPDWEN-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC001002256912 1252491469 /nfs/dbraw/zinc/49/14/69/1252491469.db2.gz CIHNYQPYXJFOAH-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC001002256912 1252491476 /nfs/dbraw/zinc/49/14/76/1252491476.db2.gz CIHNYQPYXJFOAH-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002256912 1252491482 /nfs/dbraw/zinc/49/14/82/1252491482.db2.gz CIHNYQPYXJFOAH-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC001002256912 1252491495 /nfs/dbraw/zinc/49/14/95/1252491495.db2.gz CIHNYQPYXJFOAH-XLNGHYISSA-N 2 1 366.506 0.010 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001002834952 1252696183 /nfs/dbraw/zinc/69/61/83/1252696183.db2.gz LFVAVPLDKJHFBL-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001002834952 1252696192 /nfs/dbraw/zinc/69/61/92/1252696192.db2.gz LFVAVPLDKJHFBL-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001002834930 1252696284 /nfs/dbraw/zinc/69/62/84/1252696284.db2.gz LCTKORIGFUWOOK-XDNAFOTISA-N 2 1 371.485 0.781 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001002862561 1252712919 /nfs/dbraw/zinc/71/29/19/1252712919.db2.gz LNJFFRPKNJLGGX-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002881034 1252727708 /nfs/dbraw/zinc/72/77/08/1252727708.db2.gz SLXPVPIIOHLDIK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002881034 1252727713 /nfs/dbraw/zinc/72/77/13/1252727713.db2.gz SLXPVPIIOHLDIK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002881034 1252727717 /nfs/dbraw/zinc/72/77/17/1252727717.db2.gz SLXPVPIIOHLDIK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002881034 1252727722 /nfs/dbraw/zinc/72/77/22/1252727722.db2.gz SLXPVPIIOHLDIK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001329204757 1265711740 /nfs/dbraw/zinc/71/17/40/1265711740.db2.gz LZCCITDEASGRHJ-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cccc5nccn54)[C@@H]3C2)C1 ZINC001022135837 1253773309 /nfs/dbraw/zinc/77/33/09/1253773309.db2.gz FPGRPGITGHVERC-YQQAZPJKSA-N 2 1 367.453 0.959 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917274 1253848856 /nfs/dbraw/zinc/84/88/56/1253848856.db2.gz YUQHEKJZZJWKNF-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917274 1253848865 /nfs/dbraw/zinc/84/88/65/1253848865.db2.gz YUQHEKJZZJWKNF-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917275 1253849095 /nfs/dbraw/zinc/84/90/95/1253849095.db2.gz YUQHEKJZZJWKNF-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917275 1253849100 /nfs/dbraw/zinc/84/91/00/1253849100.db2.gz YUQHEKJZZJWKNF-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916687 1253849722 /nfs/dbraw/zinc/84/97/22/1253849722.db2.gz MDVFUPVZRKJPIA-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916687 1253849735 /nfs/dbraw/zinc/84/97/35/1253849735.db2.gz MDVFUPVZRKJPIA-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767283 1253871844 /nfs/dbraw/zinc/87/18/44/1253871844.db2.gz OAUQINIIWWWASW-QGPMSJSTSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767283 1253871851 /nfs/dbraw/zinc/87/18/51/1253871851.db2.gz OAUQINIIWWWASW-QGPMSJSTSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767283 1253871862 /nfs/dbraw/zinc/87/18/62/1253871862.db2.gz OAUQINIIWWWASW-QGPMSJSTSA-N 2 1 363.506 0.728 20 0 FCADMP Cc1nn(C)cc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767283 1253871870 /nfs/dbraw/zinc/87/18/70/1253871870.db2.gz OAUQINIIWWWASW-QGPMSJSTSA-N 2 1 363.506 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC001031685505 1253884968 /nfs/dbraw/zinc/88/49/68/1253884968.db2.gz AHNGFPZVRIGXSY-KSZLIROESA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC001031685505 1253884983 /nfs/dbraw/zinc/88/49/83/1253884983.db2.gz AHNGFPZVRIGXSY-KSZLIROESA-N 2 1 362.518 0.918 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001033840037 1253967790 /nfs/dbraw/zinc/96/77/90/1253967790.db2.gz ZYYNRFWMEKUNFC-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001033840037 1253967794 /nfs/dbraw/zinc/96/77/94/1253967794.db2.gz ZYYNRFWMEKUNFC-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001033840037 1253967799 /nfs/dbraw/zinc/96/77/99/1253967799.db2.gz ZYYNRFWMEKUNFC-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034674467 1254000584 /nfs/dbraw/zinc/00/05/84/1254000584.db2.gz HLZULEMAWXISBO-KCYZZUKISA-N 2 1 364.494 0.534 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034674467 1254000592 /nfs/dbraw/zinc/00/05/92/1254000592.db2.gz HLZULEMAWXISBO-KCYZZUKISA-N 2 1 364.494 0.534 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCCC3=O)CC2)O1 ZINC001034675968 1254000965 /nfs/dbraw/zinc/00/09/65/1254000965.db2.gz UGLSECWDUAVQGW-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCCC3=O)CC2)O1 ZINC001034675968 1254000970 /nfs/dbraw/zinc/00/09/70/1254000970.db2.gz UGLSECWDUAVQGW-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001034674167 1254001450 /nfs/dbraw/zinc/00/14/50/1254001450.db2.gz FZBRNNMXIBECJL-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001034674167 1254001451 /nfs/dbraw/zinc/00/14/51/1254001451.db2.gz FZBRNNMXIBECJL-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[N@H+](CCCF)CCO2)CC1 ZINC001035370623 1254024908 /nfs/dbraw/zinc/02/49/08/1254024908.db2.gz NXEOVZJKBUJWJE-KURKYZTESA-N 2 1 371.497 0.910 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[N@@H+](CCCF)CCO2)CC1 ZINC001035370623 1254024913 /nfs/dbraw/zinc/02/49/13/1254024913.db2.gz NXEOVZJKBUJWJE-KURKYZTESA-N 2 1 371.497 0.910 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)CC)CC[N@H+]1C ZINC001061898596 1254229474 /nfs/dbraw/zinc/22/94/74/1254229474.db2.gz LCUMSNQBEPVJON-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[N@H+](C)CC)CC[NH+]1C ZINC001061898596 1254229490 /nfs/dbraw/zinc/22/94/90/1254229490.db2.gz LCUMSNQBEPVJON-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[N@@H+](C)CC)CC[NH+]1C ZINC001061898596 1254229501 /nfs/dbraw/zinc/22/95/01/1254229501.db2.gz LCUMSNQBEPVJON-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC001329784443 1265844854 /nfs/dbraw/zinc/84/48/54/1265844854.db2.gz CVHIBPMSHREETG-MRXNPFEDSA-N 2 1 362.522 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CCO2)CC[N@H+]1C ZINC001065257708 1254501696 /nfs/dbraw/zinc/50/16/96/1254501696.db2.gz ZBGHUWOJPPBIAW-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CCO2)CC[NH+]1C ZINC001065257708 1254501699 /nfs/dbraw/zinc/50/16/99/1254501699.db2.gz ZBGHUWOJPPBIAW-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)CC[NH+]1C ZINC001065257708 1254501701 /nfs/dbraw/zinc/50/17/01/1254501701.db2.gz ZBGHUWOJPPBIAW-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CCO2)CC[N@H+]1C ZINC001065537326 1254545858 /nfs/dbraw/zinc/54/58/58/1254545858.db2.gz NITKOVKZTYAIEX-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP CCc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001065628468 1254558288 /nfs/dbraw/zinc/55/82/88/1254558288.db2.gz OMUSFUHFZYOAAI-VZEFYGNVSA-N 2 1 361.490 0.696 20 0 FCADMP CCc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001065628468 1254558304 /nfs/dbraw/zinc/55/83/04/1254558304.db2.gz OMUSFUHFZYOAAI-VZEFYGNVSA-N 2 1 361.490 0.696 20 0 FCADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001520257756 1265891110 /nfs/dbraw/zinc/89/11/10/1265891110.db2.gz AAXCRMIPABIUJE-HOCLYGCPSA-N 2 1 363.510 0.906 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001075798698 1254621131 /nfs/dbraw/zinc/62/11/31/1254621131.db2.gz LCIYQLMESSRVHB-RCCFBDPRSA-N 2 1 360.502 0.483 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001075798698 1254621145 /nfs/dbraw/zinc/62/11/45/1254621145.db2.gz LCIYQLMESSRVHB-RCCFBDPRSA-N 2 1 360.502 0.483 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566714 1254705604 /nfs/dbraw/zinc/70/56/04/1254705604.db2.gz LXYNZNUNCXJXCS-KZNAEPCWSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566714 1254705622 /nfs/dbraw/zinc/70/56/22/1254705622.db2.gz LXYNZNUNCXJXCS-KZNAEPCWSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566714 1254705644 /nfs/dbraw/zinc/70/56/44/1254705644.db2.gz LXYNZNUNCXJXCS-KZNAEPCWSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566714 1254705660 /nfs/dbraw/zinc/70/56/60/1254705660.db2.gz LXYNZNUNCXJXCS-KZNAEPCWSA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001077618981 1254785551 /nfs/dbraw/zinc/78/55/51/1254785551.db2.gz XWCKYUMONZMWPT-GUDVDZBRSA-N 2 1 361.486 0.093 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077903253 1255083519 /nfs/dbraw/zinc/08/35/19/1255083519.db2.gz UNWWYRCESJWRNN-IAOVAPTHSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077903253 1255083527 /nfs/dbraw/zinc/08/35/27/1255083527.db2.gz UNWWYRCESJWRNN-IAOVAPTHSA-N 2 1 357.414 0.079 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011938 1255166935 /nfs/dbraw/zinc/16/69/35/1255166935.db2.gz OPYKJZNRFLKHGY-IAGOWNOFSA-N 2 1 359.470 0.631 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011938 1255166940 /nfs/dbraw/zinc/16/69/40/1255166940.db2.gz OPYKJZNRFLKHGY-IAGOWNOFSA-N 2 1 359.470 0.631 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175799 1255289300 /nfs/dbraw/zinc/28/93/00/1255289300.db2.gz MSUMOPRGSOHFOF-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175799 1255289308 /nfs/dbraw/zinc/28/93/08/1255289308.db2.gz MSUMOPRGSOHFOF-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175799 1255289311 /nfs/dbraw/zinc/28/93/11/1255289311.db2.gz MSUMOPRGSOHFOF-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224308 1255335054 /nfs/dbraw/zinc/33/50/54/1255335054.db2.gz CRBHXVQTQIGARV-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001078403864 1255407420 /nfs/dbraw/zinc/40/74/20/1255407420.db2.gz KSONDLJHTYTJDB-HRCADAONSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001078403864 1255407422 /nfs/dbraw/zinc/40/74/22/1255407422.db2.gz KSONDLJHTYTJDB-HRCADAONSA-N 2 1 364.494 0.253 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078403798 1255407606 /nfs/dbraw/zinc/40/76/06/1255407606.db2.gz IWIKDMGYMKUTCS-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405131 1255408262 /nfs/dbraw/zinc/40/82/62/1255408262.db2.gz FSCSZMUECCYZQQ-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405131 1255408267 /nfs/dbraw/zinc/40/82/67/1255408267.db2.gz FSCSZMUECCYZQQ-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079211049 1255473145 /nfs/dbraw/zinc/47/31/45/1255473145.db2.gz ONAOVGXGFPQPLS-KSZLIROESA-N 2 1 365.449 0.423 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079211049 1255473153 /nfs/dbraw/zinc/47/31/53/1255473153.db2.gz ONAOVGXGFPQPLS-KSZLIROESA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079318403 1255507009 /nfs/dbraw/zinc/50/70/09/1255507009.db2.gz BIKLWFIIKSXIOX-JLJPHGGASA-N 2 1 362.449 0.537 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717317 1255583484 /nfs/dbraw/zinc/58/34/84/1255583484.db2.gz BOUQEOGMQOZLPJ-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717317 1255583489 /nfs/dbraw/zinc/58/34/89/1255583489.db2.gz BOUQEOGMQOZLPJ-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717295 1255584369 /nfs/dbraw/zinc/58/43/69/1255584369.db2.gz AJXMXUIRHPADSE-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717295 1255584382 /nfs/dbraw/zinc/58/43/82/1255584382.db2.gz AJXMXUIRHPADSE-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710689 1255584416 /nfs/dbraw/zinc/58/44/16/1255584416.db2.gz SEEJHTZDISSTHM-FHLIZLRMSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710689 1255584418 /nfs/dbraw/zinc/58/44/18/1255584418.db2.gz SEEJHTZDISSTHM-FHLIZLRMSA-N 2 1 362.518 0.824 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951553 1255677610 /nfs/dbraw/zinc/67/76/10/1255677610.db2.gz TUYPZFWNYJQZTD-BQGCOEIASA-N 2 1 364.494 0.051 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951553 1255677616 /nfs/dbraw/zinc/67/76/16/1255677616.db2.gz TUYPZFWNYJQZTD-BQGCOEIASA-N 2 1 364.494 0.051 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951553 1255677622 /nfs/dbraw/zinc/67/76/22/1255677622.db2.gz TUYPZFWNYJQZTD-BQGCOEIASA-N 2 1 364.494 0.051 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951553 1255677625 /nfs/dbraw/zinc/67/76/25/1255677625.db2.gz TUYPZFWNYJQZTD-BQGCOEIASA-N 2 1 364.494 0.051 20 0 FCADMP CCN(C(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079966190 1255686259 /nfs/dbraw/zinc/68/62/59/1255686259.db2.gz MEXIERHQRRGRAM-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079966190 1255686265 /nfs/dbraw/zinc/68/62/65/1255686265.db2.gz MEXIERHQRRGRAM-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079966190 1255686272 /nfs/dbraw/zinc/68/62/72/1255686272.db2.gz MEXIERHQRRGRAM-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079966190 1255686277 /nfs/dbraw/zinc/68/62/77/1255686277.db2.gz MEXIERHQRRGRAM-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052848 1255727382 /nfs/dbraw/zinc/72/73/82/1255727382.db2.gz QJDSCQLTCDGZCD-CZUORRHYSA-N 2 1 356.430 0.410 20 0 FCADMP CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080096424 1255739403 /nfs/dbraw/zinc/73/94/03/1255739403.db2.gz HSTIGXKBAXUZIW-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080096424 1255739409 /nfs/dbraw/zinc/73/94/09/1255739409.db2.gz HSTIGXKBAXUZIW-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161088 1255765363 /nfs/dbraw/zinc/76/53/63/1255765363.db2.gz LXJKORHWUFVUPJ-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161088 1255765367 /nfs/dbraw/zinc/76/53/67/1255765367.db2.gz LXJKORHWUFVUPJ-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161088 1255765372 /nfs/dbraw/zinc/76/53/72/1255765372.db2.gz LXJKORHWUFVUPJ-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161088 1255765378 /nfs/dbraw/zinc/76/53/78/1255765378.db2.gz LXJKORHWUFVUPJ-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188625 1255778706 /nfs/dbraw/zinc/77/87/06/1255778706.db2.gz NEALWJNKBXGGIM-LSBZLQRGSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188625 1255778712 /nfs/dbraw/zinc/77/87/12/1255778712.db2.gz NEALWJNKBXGGIM-LSBZLQRGSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383665 1255868579 /nfs/dbraw/zinc/86/85/79/1255868579.db2.gz PZLKQNSVEPKZFE-OLMNPRSZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383665 1255868587 /nfs/dbraw/zinc/86/85/87/1255868587.db2.gz PZLKQNSVEPKZFE-OLMNPRSZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080456274 1255898899 /nfs/dbraw/zinc/89/88/99/1255898899.db2.gz WPIOWANIQCQISM-OLMNPRSZSA-N 2 1 358.486 0.729 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080456274 1255898910 /nfs/dbraw/zinc/89/89/10/1255898910.db2.gz WPIOWANIQCQISM-OLMNPRSZSA-N 2 1 358.486 0.729 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593359 1255946602 /nfs/dbraw/zinc/94/66/02/1255946602.db2.gz XVJQHVZWXGKQLL-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593359 1255946608 /nfs/dbraw/zinc/94/66/08/1255946608.db2.gz XVJQHVZWXGKQLL-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787686 1256039122 /nfs/dbraw/zinc/03/91/22/1256039122.db2.gz NTPKPMSCGJJAOM-GVDBMIGSSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787686 1256039123 /nfs/dbraw/zinc/03/91/23/1256039123.db2.gz NTPKPMSCGJJAOM-GVDBMIGSSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789295 1256041017 /nfs/dbraw/zinc/04/10/17/1256041017.db2.gz YOMOHQKVTHPDKI-OAGGEKHMSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081125792 1256187756 /nfs/dbraw/zinc/18/77/56/1256187756.db2.gz QKJLWASHMJBZSI-OTWHNJEPSA-N 2 1 371.485 0.390 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670411 1256328325 /nfs/dbraw/zinc/32/83/25/1256328325.db2.gz RHQUNLZKITZGHJ-RCCFBDPRSA-N 2 1 361.490 0.120 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052686 1256511501 /nfs/dbraw/zinc/51/15/01/1256511501.db2.gz JFXSNAVVCDCTIT-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052686 1256511506 /nfs/dbraw/zinc/51/15/06/1256511506.db2.gz JFXSNAVVCDCTIT-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052686 1256511509 /nfs/dbraw/zinc/51/15/09/1256511509.db2.gz JFXSNAVVCDCTIT-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082052686 1256511512 /nfs/dbraw/zinc/51/15/12/1256511512.db2.gz JFXSNAVVCDCTIT-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133455 1256550639 /nfs/dbraw/zinc/55/06/39/1256550639.db2.gz CHNNLWDPALWHEW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133455 1256550642 /nfs/dbraw/zinc/55/06/42/1256550642.db2.gz CHNNLWDPALWHEW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133455 1256550647 /nfs/dbraw/zinc/55/06/47/1256550647.db2.gz CHNNLWDPALWHEW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133455 1256550652 /nfs/dbraw/zinc/55/06/52/1256550652.db2.gz CHNNLWDPALWHEW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082144743 1256560878 /nfs/dbraw/zinc/56/08/78/1256560878.db2.gz FEDSSFAERAILLJ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082144743 1256560884 /nfs/dbraw/zinc/56/08/84/1256560884.db2.gz FEDSSFAERAILLJ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082144743 1256560888 /nfs/dbraw/zinc/56/08/88/1256560888.db2.gz FEDSSFAERAILLJ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082144743 1256560890 /nfs/dbraw/zinc/56/08/90/1256560890.db2.gz FEDSSFAERAILLJ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201208 1256588283 /nfs/dbraw/zinc/58/82/83/1256588283.db2.gz PBKMAZOZURXDOI-QZTJIDSGSA-N 2 1 363.506 0.510 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326829 1256668902 /nfs/dbraw/zinc/66/89/02/1256668902.db2.gz RONOUARLCIYRQL-BZUAXINKSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326829 1256668905 /nfs/dbraw/zinc/66/89/05/1256668905.db2.gz RONOUARLCIYRQL-BZUAXINKSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326829 1256668909 /nfs/dbraw/zinc/66/89/09/1256668909.db2.gz RONOUARLCIYRQL-BZUAXINKSA-N 2 1 365.478 0.468 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082449903 1256766632 /nfs/dbraw/zinc/76/66/32/1256766632.db2.gz OIXQHMQLXSVCQX-OIISXLGYSA-N 2 1 369.473 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082449903 1256766638 /nfs/dbraw/zinc/76/66/38/1256766638.db2.gz OIXQHMQLXSVCQX-OIISXLGYSA-N 2 1 369.473 0.693 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082544866 1256835194 /nfs/dbraw/zinc/83/51/94/1256835194.db2.gz VWSGGRBUEZDGLL-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082559019 1256857532 /nfs/dbraw/zinc/85/75/32/1256857532.db2.gz PWDKBELAJGHSHS-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082559521 1256858030 /nfs/dbraw/zinc/85/80/30/1256858030.db2.gz ICMFSWJJTIDFIU-VMGRFDJRSA-N 2 1 360.506 0.969 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C)c1nnnn1C ZINC001082645144 1256951116 /nfs/dbraw/zinc/95/11/16/1256951116.db2.gz JHXSKQVZOKCAMZ-LALPHHSUSA-N 2 1 354.418 0.669 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082653662 1256959743 /nfs/dbraw/zinc/95/97/43/1256959743.db2.gz XBZLOLUYODYURJ-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082743096 1257022411 /nfs/dbraw/zinc/02/24/11/1257022411.db2.gz HOGSGEUYBFKUSU-IIDMSEBBSA-N 2 1 366.485 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082745863 1257027483 /nfs/dbraw/zinc/02/74/83/1257027483.db2.gz VFRONPLEZPIZHM-XNRPHZJLSA-N 2 1 361.446 0.209 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)[nH]1 ZINC001082798416 1257057255 /nfs/dbraw/zinc/05/72/55/1257057255.db2.gz SPBSKEBFGFYJAR-IUODEOHRSA-N 2 1 360.466 0.122 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)ccn1 ZINC001082808123 1257066867 /nfs/dbraw/zinc/06/68/67/1257066867.db2.gz WHCCKBBYDGLHIN-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)nc1 ZINC001082828197 1257086019 /nfs/dbraw/zinc/08/60/19/1257086019.db2.gz XUZQPSSAKXVPRD-NVXWUHKLSA-N 2 1 361.490 0.832 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001082835528 1257091920 /nfs/dbraw/zinc/09/19/20/1257091920.db2.gz FCAAXVDVIRTZPV-IJEWVQPXSA-N 2 1 363.510 0.828 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082863267 1257113374 /nfs/dbraw/zinc/11/33/74/1257113374.db2.gz XNKBKSWSRZTPBZ-RHSMWYFYSA-N 2 1 358.490 0.720 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863432 1257113548 /nfs/dbraw/zinc/11/35/48/1257113548.db2.gz BUUMZPNZXMSYGZ-HUUCEWRRSA-N 2 1 361.494 0.506 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082921565 1257145527 /nfs/dbraw/zinc/14/55/27/1257145527.db2.gz VBCVTUILQSLNFO-UKRRQHHQSA-N 2 1 371.445 0.559 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)C1 ZINC001082934051 1257155280 /nfs/dbraw/zinc/15/52/80/1257155280.db2.gz VZSHLDOIGZUYCG-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)C1 ZINC001082934051 1257155281 /nfs/dbraw/zinc/15/52/81/1257155281.db2.gz VZSHLDOIGZUYCG-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)O1 ZINC001083119270 1257350046 /nfs/dbraw/zinc/35/00/46/1257350046.db2.gz KFLLIVUFPGTDEW-BZZMCLGOSA-N 2 1 367.490 0.044 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)O1 ZINC001083119270 1257350053 /nfs/dbraw/zinc/35/00/53/1257350053.db2.gz KFLLIVUFPGTDEW-BZZMCLGOSA-N 2 1 367.490 0.044 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)O1 ZINC001083119270 1257350060 /nfs/dbraw/zinc/35/00/60/1257350060.db2.gz KFLLIVUFPGTDEW-BZZMCLGOSA-N 2 1 367.490 0.044 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)O1 ZINC001083119270 1257350067 /nfs/dbraw/zinc/35/00/67/1257350067.db2.gz KFLLIVUFPGTDEW-BZZMCLGOSA-N 2 1 367.490 0.044 20 0 FCADMP CC(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149099 1257404926 /nfs/dbraw/zinc/40/49/26/1257404926.db2.gz YSYRCOQMPWTPSS-KZIZELGASA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149099 1257404933 /nfs/dbraw/zinc/40/49/33/1257404933.db2.gz YSYRCOQMPWTPSS-KZIZELGASA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149099 1257404936 /nfs/dbraw/zinc/40/49/36/1257404936.db2.gz YSYRCOQMPWTPSS-KZIZELGASA-N 2 1 363.502 0.807 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2O)n1 ZINC001083470186 1257461464 /nfs/dbraw/zinc/46/14/64/1257461464.db2.gz DHEZKUYXJAGJTA-MSOLQXFVSA-N 2 1 363.506 0.800 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC1 ZINC001083749229 1257487466 /nfs/dbraw/zinc/48/74/66/1257487466.db2.gz NYGATIZJIURLTH-MOPGFXCFSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC1 ZINC001083749229 1257487468 /nfs/dbraw/zinc/48/74/68/1257487468.db2.gz NYGATIZJIURLTH-MOPGFXCFSA-N 2 1 359.470 0.720 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001083749262 1257488296 /nfs/dbraw/zinc/48/82/96/1257488296.db2.gz PJLMVNUUKQLZKD-MOPGFXCFSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001083749262 1257488301 /nfs/dbraw/zinc/48/83/01/1257488301.db2.gz PJLMVNUUKQLZKD-MOPGFXCFSA-N 2 1 361.486 0.836 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001083783468 1257530300 /nfs/dbraw/zinc/53/03/00/1257530300.db2.gz UGSHMYVDDSCYPT-MOPGFXCFSA-N 2 1 371.485 0.462 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001083783468 1257530304 /nfs/dbraw/zinc/53/03/04/1257530304.db2.gz UGSHMYVDDSCYPT-MOPGFXCFSA-N 2 1 371.485 0.462 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1)OC ZINC001083783399 1257530873 /nfs/dbraw/zinc/53/08/73/1257530873.db2.gz PYIBAKCKMIHYQJ-OTWHNJEPSA-N 2 1 363.502 0.991 20 0 FCADMP C[N@@H+](CCOc1cccc(CNC(=O)[C@H]([NH3+])CO)c1)C1CCOCC1 ZINC001521478010 1266126482 /nfs/dbraw/zinc/12/64/82/1266126482.db2.gz TYDAHXJMOJVBND-QGZVFWFLSA-N 2 1 351.447 0.112 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953144 1257742223 /nfs/dbraw/zinc/74/22/23/1257742223.db2.gz INULSOUOJGFJMB-LZQZEXGQSA-N 2 1 359.470 0.720 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953144 1257742226 /nfs/dbraw/zinc/74/22/26/1257742226.db2.gz INULSOUOJGFJMB-LZQZEXGQSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953144 1257742229 /nfs/dbraw/zinc/74/22/29/1257742229.db2.gz INULSOUOJGFJMB-LZQZEXGQSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083953144 1257742232 /nfs/dbraw/zinc/74/22/32/1257742232.db2.gz INULSOUOJGFJMB-LZQZEXGQSA-N 2 1 359.470 0.720 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1 ZINC001083957658 1257747414 /nfs/dbraw/zinc/74/74/14/1257747414.db2.gz JUCSRCDKNVHLEK-MSOLQXFVSA-N 2 1 359.470 0.631 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1 ZINC001083957658 1257747427 /nfs/dbraw/zinc/74/74/27/1257747427.db2.gz JUCSRCDKNVHLEK-MSOLQXFVSA-N 2 1 359.470 0.631 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)c1ccccc1 ZINC001083959575 1257750037 /nfs/dbraw/zinc/75/00/37/1257750037.db2.gz ZFLXNFYPQPDWSK-SQNIBIBYSA-N 2 1 359.470 0.631 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056687 1257867613 /nfs/dbraw/zinc/86/76/13/1257867613.db2.gz JUSOQMPPJZYUJO-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056687 1257867625 /nfs/dbraw/zinc/86/76/25/1257867625.db2.gz JUSOQMPPJZYUJO-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056687 1257867637 /nfs/dbraw/zinc/86/76/37/1257867637.db2.gz JUSOQMPPJZYUJO-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056687 1257867647 /nfs/dbraw/zinc/86/76/47/1257867647.db2.gz JUSOQMPPJZYUJO-KURKYZTESA-N 2 1 361.486 0.795 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)c1 ZINC001084083175 1257907590 /nfs/dbraw/zinc/90/75/90/1257907590.db2.gz AXEBFRCTNYOUET-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)c1 ZINC001084083175 1257907598 /nfs/dbraw/zinc/90/75/98/1257907598.db2.gz AXEBFRCTNYOUET-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331103241 1266148157 /nfs/dbraw/zinc/14/81/57/1266148157.db2.gz FVCKFSZVAUDKFV-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)c1 ZINC001331149482 1266159082 /nfs/dbraw/zinc/15/90/82/1266159082.db2.gz GHRUZLOEGSCAOD-QGZVFWFLSA-N 2 1 360.458 0.379 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC001331149482 1266159085 /nfs/dbraw/zinc/15/90/85/1266159085.db2.gz GHRUZLOEGSCAOD-QGZVFWFLSA-N 2 1 360.458 0.379 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084522946 1258148894 /nfs/dbraw/zinc/14/88/94/1258148894.db2.gz PNBYRGKAWVYYNW-IAGOWNOFSA-N 2 1 359.474 0.737 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084522946 1258148896 /nfs/dbraw/zinc/14/88/96/1258148896.db2.gz PNBYRGKAWVYYNW-IAGOWNOFSA-N 2 1 359.474 0.737 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084544940 1258163570 /nfs/dbraw/zinc/16/35/70/1258163570.db2.gz OBLMCZJWYNUGTO-BHIYHBOVSA-N 2 1 370.497 0.826 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084544940 1258163575 /nfs/dbraw/zinc/16/35/75/1258163575.db2.gz OBLMCZJWYNUGTO-BHIYHBOVSA-N 2 1 370.497 0.826 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001084607252 1258195090 /nfs/dbraw/zinc/19/50/90/1258195090.db2.gz PSAIPWGGTAPMTI-KURKYZTESA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001084607252 1258195095 /nfs/dbraw/zinc/19/50/95/1258195095.db2.gz PSAIPWGGTAPMTI-KURKYZTESA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC001084607252 1258195100 /nfs/dbraw/zinc/19/51/00/1258195100.db2.gz PSAIPWGGTAPMTI-KURKYZTESA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC001084607252 1258195101 /nfs/dbraw/zinc/19/51/01/1258195101.db2.gz PSAIPWGGTAPMTI-KURKYZTESA-N 2 1 361.490 0.525 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001084631055 1258211512 /nfs/dbraw/zinc/21/15/12/1258211512.db2.gz AEWSDKPKMTTYBN-FGTMMUONSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660562 1258222691 /nfs/dbraw/zinc/22/26/91/1258222691.db2.gz LLNBIVYQIJWCQP-KBAYOESNSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660562 1258222695 /nfs/dbraw/zinc/22/26/95/1258222695.db2.gz LLNBIVYQIJWCQP-KBAYOESNSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660562 1258222700 /nfs/dbraw/zinc/22/27/00/1258222700.db2.gz LLNBIVYQIJWCQP-KBAYOESNSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001084722500 1258266925 /nfs/dbraw/zinc/26/69/25/1258266925.db2.gz SBKVYDQMCFSMJQ-QZTJIDSGSA-N 2 1 361.490 0.218 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001084722500 1258266931 /nfs/dbraw/zinc/26/69/31/1258266931.db2.gz SBKVYDQMCFSMJQ-QZTJIDSGSA-N 2 1 361.490 0.218 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084751807 1258289384 /nfs/dbraw/zinc/28/93/84/1258289384.db2.gz DUHZQBMKRIKUCS-KZNAEPCWSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084751807 1258289386 /nfs/dbraw/zinc/28/93/86/1258289386.db2.gz DUHZQBMKRIKUCS-KZNAEPCWSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)CCC1 ZINC001084957292 1258470010 /nfs/dbraw/zinc/47/00/10/1258470010.db2.gz KMRJAENZUVHCSU-CVEARBPZSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)CC1 ZINC001085049774 1258545976 /nfs/dbraw/zinc/54/59/76/1258545976.db2.gz YHUNIOIVKAIPKI-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001085074923 1258569081 /nfs/dbraw/zinc/56/90/81/1258569081.db2.gz ISORTCMGAUBAPR-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21)C1CC1 ZINC001085074923 1258569086 /nfs/dbraw/zinc/56/90/86/1258569086.db2.gz ISORTCMGAUBAPR-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21)C1CC1 ZINC001085074923 1258569092 /nfs/dbraw/zinc/56/90/92/1258569092.db2.gz ISORTCMGAUBAPR-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074741 1258570111 /nfs/dbraw/zinc/57/01/11/1258570111.db2.gz AJPPNSMJIFKIHH-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074741 1258570115 /nfs/dbraw/zinc/57/01/15/1258570115.db2.gz AJPPNSMJIFKIHH-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074741 1258570118 /nfs/dbraw/zinc/57/01/18/1258570118.db2.gz AJPPNSMJIFKIHH-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP COc1nccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092730 1258584982 /nfs/dbraw/zinc/58/49/82/1258584982.db2.gz OJRSTMNABXYVMN-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092730 1258584986 /nfs/dbraw/zinc/58/49/86/1258584986.db2.gz OJRSTMNABXYVMN-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092730 1258584992 /nfs/dbraw/zinc/58/49/92/1258584992.db2.gz OJRSTMNABXYVMN-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092730 1258584996 /nfs/dbraw/zinc/58/49/96/1258584996.db2.gz OJRSTMNABXYVMN-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085093833 1258587869 /nfs/dbraw/zinc/58/78/69/1258587869.db2.gz GKUPHIOWVDHOCJ-CVEARBPZSA-N 2 1 360.462 0.140 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085093833 1258587875 /nfs/dbraw/zinc/58/78/75/1258587875.db2.gz GKUPHIOWVDHOCJ-CVEARBPZSA-N 2 1 360.462 0.140 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085152879 1258609794 /nfs/dbraw/zinc/60/97/94/1258609794.db2.gz UZBBQBOIEXFJAL-KFWWJZLASA-N 2 1 362.478 0.420 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085152879 1258609803 /nfs/dbraw/zinc/60/98/03/1258609803.db2.gz UZBBQBOIEXFJAL-KFWWJZLASA-N 2 1 362.478 0.420 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1=O ZINC001085159030 1258610730 /nfs/dbraw/zinc/61/07/30/1258610730.db2.gz FNHKHPZOLQCSNC-ZACQAIPSSA-N 2 1 362.474 0.233 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1=O ZINC001085159030 1258610735 /nfs/dbraw/zinc/61/07/35/1258610735.db2.gz FNHKHPZOLQCSNC-ZACQAIPSSA-N 2 1 362.474 0.233 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)CC[C@@H]2C1 ZINC001088140408 1258654136 /nfs/dbraw/zinc/65/41/36/1258654136.db2.gz KKAIRHHLIADQOB-OTWHNJEPSA-N 2 1 365.518 0.916 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)CC[C@@H]2C1 ZINC001088140408 1258654145 /nfs/dbraw/zinc/65/41/45/1258654145.db2.gz KKAIRHHLIADQOB-OTWHNJEPSA-N 2 1 365.518 0.916 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088173058 1258692458 /nfs/dbraw/zinc/69/24/58/1258692458.db2.gz QDLMRIXZOKWTCC-RVKKMQEKSA-N 2 1 371.485 0.772 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088173156 1258692883 /nfs/dbraw/zinc/69/28/83/1258692883.db2.gz VAELESOPPCVBHU-CVEARBPZSA-N 2 1 371.485 0.774 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200015 1258720930 /nfs/dbraw/zinc/72/09/30/1258720930.db2.gz LQYPNEXLKXKLQV-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200015 1258720936 /nfs/dbraw/zinc/72/09/36/1258720936.db2.gz LQYPNEXLKXKLQV-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200015 1258720940 /nfs/dbraw/zinc/72/09/40/1258720940.db2.gz LQYPNEXLKXKLQV-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200015 1258720948 /nfs/dbraw/zinc/72/09/48/1258720948.db2.gz LQYPNEXLKXKLQV-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088202303 1258723575 /nfs/dbraw/zinc/72/35/75/1258723575.db2.gz UJQPQBQXPDPTBW-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088202303 1258723578 /nfs/dbraw/zinc/72/35/78/1258723578.db2.gz UJQPQBQXPDPTBW-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208298 1258733237 /nfs/dbraw/zinc/73/32/37/1258733237.db2.gz UCZDEWJLPOOIRH-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208298 1258733243 /nfs/dbraw/zinc/73/32/43/1258733243.db2.gz UCZDEWJLPOOIRH-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208298 1258733249 /nfs/dbraw/zinc/73/32/49/1258733249.db2.gz UCZDEWJLPOOIRH-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208298 1258733256 /nfs/dbraw/zinc/73/32/56/1258733256.db2.gz UCZDEWJLPOOIRH-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211272 1258735429 /nfs/dbraw/zinc/73/54/29/1258735429.db2.gz ABLOXKLYPZVURP-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211272 1258735436 /nfs/dbraw/zinc/73/54/36/1258735436.db2.gz ABLOXKLYPZVURP-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212779 1258736191 /nfs/dbraw/zinc/73/61/91/1258736191.db2.gz PIFIVPOQUZOEPL-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212779 1258736197 /nfs/dbraw/zinc/73/61/97/1258736197.db2.gz PIFIVPOQUZOEPL-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212779 1258736203 /nfs/dbraw/zinc/73/62/03/1258736203.db2.gz PIFIVPOQUZOEPL-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212779 1258736207 /nfs/dbraw/zinc/73/62/07/1258736207.db2.gz PIFIVPOQUZOEPL-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941905 1258766220 /nfs/dbraw/zinc/76/62/20/1258766220.db2.gz MVYKXEVAQMCEAG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941905 1258766224 /nfs/dbraw/zinc/76/62/24/1258766224.db2.gz MVYKXEVAQMCEAG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941905 1258766230 /nfs/dbraw/zinc/76/62/30/1258766230.db2.gz MVYKXEVAQMCEAG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941905 1258766237 /nfs/dbraw/zinc/76/62/37/1258766237.db2.gz MVYKXEVAQMCEAG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731521 1258804240 /nfs/dbraw/zinc/80/42/40/1258804240.db2.gz QVOIWXZQKAGKBF-HLIPFELVSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731521 1258804245 /nfs/dbraw/zinc/80/42/45/1258804245.db2.gz QVOIWXZQKAGKBF-HLIPFELVSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731521 1258804250 /nfs/dbraw/zinc/80/42/50/1258804250.db2.gz QVOIWXZQKAGKBF-HLIPFELVSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671317 1258812944 /nfs/dbraw/zinc/81/29/44/1258812944.db2.gz HQZCCCMGPKBMGV-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671317 1258812954 /nfs/dbraw/zinc/81/29/54/1258812954.db2.gz HQZCCCMGPKBMGV-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671317 1258812961 /nfs/dbraw/zinc/81/29/61/1258812961.db2.gz HQZCCCMGPKBMGV-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722117 1258817086 /nfs/dbraw/zinc/81/70/86/1258817086.db2.gz VOHPDDAWTRJXAB-ZACQAIPSSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001092816748 1258854001 /nfs/dbraw/zinc/85/40/01/1258854001.db2.gz GIDGWECSJLQAAA-HUUCEWRRSA-N 2 1 370.457 0.653 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092842611 1258866017 /nfs/dbraw/zinc/86/60/17/1258866017.db2.gz GSOISGKXXLPQBP-RMEMFKQDSA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092842611 1258866023 /nfs/dbraw/zinc/86/60/23/1258866023.db2.gz GSOISGKXXLPQBP-RMEMFKQDSA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001092842611 1258866028 /nfs/dbraw/zinc/86/60/28/1258866028.db2.gz GSOISGKXXLPQBP-RMEMFKQDSA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001092842611 1258866032 /nfs/dbraw/zinc/86/60/32/1258866032.db2.gz GSOISGKXXLPQBP-RMEMFKQDSA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001100343622 1258908303 /nfs/dbraw/zinc/90/83/03/1258908303.db2.gz LDFANCZYMLVGSC-ARAOSMHQSA-N 2 1 362.474 0.720 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001106765626 1258958530 /nfs/dbraw/zinc/95/85/30/1258958530.db2.gz MKUUKHLKCUFMTP-OIISXLGYSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001106765873 1258958727 /nfs/dbraw/zinc/95/87/27/1258958727.db2.gz WZOVMONQOFMUQQ-HZPDHXFCSA-N 2 1 365.478 0.756 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106986661 1259011728 /nfs/dbraw/zinc/01/17/28/1259011728.db2.gz ZHJGUZBXMVTYQE-GDBMZVCRSA-N 2 1 364.494 0.583 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001106986457 1259011742 /nfs/dbraw/zinc/01/17/42/1259011742.db2.gz PXTAQPLQHQTLNX-CXAGYDPISA-N 2 1 359.478 0.784 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106997813 1259015143 /nfs/dbraw/zinc/01/51/43/1259015143.db2.gz WOVBYDSWPVEMCN-HZPDHXFCSA-N 2 1 363.510 0.660 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001107009098 1259017215 /nfs/dbraw/zinc/01/72/15/1259017215.db2.gz KXSSPLYCCLUAKM-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001107009098 1259017224 /nfs/dbraw/zinc/01/72/24/1259017224.db2.gz KXSSPLYCCLUAKM-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072673 1259028394 /nfs/dbraw/zinc/02/83/94/1259028394.db2.gz ZQCCIOOFFAUBEE-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072673 1259028401 /nfs/dbraw/zinc/02/84/01/1259028401.db2.gz ZQCCIOOFFAUBEE-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001107449683 1259092608 /nfs/dbraw/zinc/09/26/08/1259092608.db2.gz UBHCEQQIWOVWNE-DNVCBOLYSA-N 2 1 366.506 0.191 20 0 FCADMP Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)o1 ZINC001107609472 1259132296 /nfs/dbraw/zinc/13/22/96/1259132296.db2.gz UODPIRRNVQHZKT-CRAIPNDOSA-N 2 1 365.478 0.817 20 0 FCADMP Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)o1 ZINC001107609472 1259132300 /nfs/dbraw/zinc/13/23/00/1259132300.db2.gz UODPIRRNVQHZKT-CRAIPNDOSA-N 2 1 365.478 0.817 20 0 FCADMP CC(C)OCCCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001117841434 1259169489 /nfs/dbraw/zinc/16/94/89/1259169489.db2.gz MFPLVONVQATTBI-UHFFFAOYSA-N 2 1 370.538 0.744 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCCC2)CC[N@H+]1C ZINC001127691036 1259185259 /nfs/dbraw/zinc/18/52/59/1259185259.db2.gz YSBXHIXQXCJFOD-UKRRQHHQSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)CC[N@H+]1C ZINC001128106672 1259193117 /nfs/dbraw/zinc/19/31/17/1259193117.db2.gz BTNSANZBGRPKJG-DJIMGWMZSA-N 2 1 361.490 0.199 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603605 1266247762 /nfs/dbraw/zinc/24/77/62/1266247762.db2.gz HBCZECOCUNXMNE-LEUOFYLZSA-N 2 1 358.486 0.867 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064374 1259303208 /nfs/dbraw/zinc/30/32/08/1259303208.db2.gz BKQVYCVLNLXAMB-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064374 1259303217 /nfs/dbraw/zinc/30/32/17/1259303217.db2.gz BKQVYCVLNLXAMB-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064374 1259303223 /nfs/dbraw/zinc/30/32/23/1259303223.db2.gz BKQVYCVLNLXAMB-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064374 1259303229 /nfs/dbraw/zinc/30/32/29/1259303229.db2.gz BKQVYCVLNLXAMB-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065322 1259303882 /nfs/dbraw/zinc/30/38/82/1259303882.db2.gz VOQPJLKRDIIDHW-WCXIOVBPSA-N 2 1 364.494 0.529 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065322 1259303883 /nfs/dbraw/zinc/30/38/83/1259303883.db2.gz VOQPJLKRDIIDHW-WCXIOVBPSA-N 2 1 364.494 0.529 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065322 1259303888 /nfs/dbraw/zinc/30/38/88/1259303888.db2.gz VOQPJLKRDIIDHW-WCXIOVBPSA-N 2 1 364.494 0.529 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065322 1259303890 /nfs/dbraw/zinc/30/38/90/1259303890.db2.gz VOQPJLKRDIIDHW-WCXIOVBPSA-N 2 1 364.494 0.529 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129205499 1259343795 /nfs/dbraw/zinc/34/37/95/1259343795.db2.gz VXRJIRWACUHXDR-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266039 1259359852 /nfs/dbraw/zinc/35/98/52/1259359852.db2.gz FENNEMZYMCAWFK-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266039 1259359861 /nfs/dbraw/zinc/35/98/61/1259359861.db2.gz FENNEMZYMCAWFK-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266039 1259359866 /nfs/dbraw/zinc/35/98/66/1259359866.db2.gz FENNEMZYMCAWFK-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266039 1259359874 /nfs/dbraw/zinc/35/98/74/1259359874.db2.gz FENNEMZYMCAWFK-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001200537648 1259415948 /nfs/dbraw/zinc/41/59/48/1259415948.db2.gz SISQRJMDXKWDGZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001200537577 1259416989 /nfs/dbraw/zinc/41/69/89/1259416989.db2.gz QYZKQMKVCMLLDR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001200651607 1259418761 /nfs/dbraw/zinc/41/87/61/1259418761.db2.gz CTLRJKFRMFECDE-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCCCOC)CC2)CC[N@H+]1C ZINC001200644449 1259419079 /nfs/dbraw/zinc/41/90/79/1259419079.db2.gz MATPLCFWGDMXOO-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001200730180 1259419965 /nfs/dbraw/zinc/41/99/65/1259419965.db2.gz RITLHMKDXNPZSU-RRFJBIMHSA-N 2 1 359.434 0.012 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406471 1259491701 /nfs/dbraw/zinc/49/17/01/1259491701.db2.gz UOEAGSGEPQQAPB-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406471 1259491706 /nfs/dbraw/zinc/49/17/06/1259491706.db2.gz UOEAGSGEPQQAPB-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406471 1259491708 /nfs/dbraw/zinc/49/17/08/1259491708.db2.gz UOEAGSGEPQQAPB-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406471 1259491710 /nfs/dbraw/zinc/49/17/10/1259491710.db2.gz UOEAGSGEPQQAPB-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407853 1259493222 /nfs/dbraw/zinc/49/32/22/1259493222.db2.gz GLQVOOBGEKIOQE-HUUCEWRRSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407853 1259493226 /nfs/dbraw/zinc/49/32/26/1259493226.db2.gz GLQVOOBGEKIOQE-HUUCEWRRSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416212 1259497080 /nfs/dbraw/zinc/49/70/80/1259497080.db2.gz CKIYVULSZWNIJY-HZPDHXFCSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416212 1259497084 /nfs/dbraw/zinc/49/70/84/1259497084.db2.gz CKIYVULSZWNIJY-HZPDHXFCSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416212 1259497089 /nfs/dbraw/zinc/49/70/89/1259497089.db2.gz CKIYVULSZWNIJY-HZPDHXFCSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416212 1259497090 /nfs/dbraw/zinc/49/70/90/1259497090.db2.gz CKIYVULSZWNIJY-HZPDHXFCSA-N 2 1 365.478 0.610 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC)[NH+](C)C ZINC001212460694 1259515127 /nfs/dbraw/zinc/51/51/27/1259515127.db2.gz JYBQTNHPKLAPIA-BRWVUGGUSA-N 2 1 362.474 0.441 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC)[NH+](C)C ZINC001212460694 1259515131 /nfs/dbraw/zinc/51/51/31/1259515131.db2.gz JYBQTNHPKLAPIA-BRWVUGGUSA-N 2 1 362.474 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215535988 1259534387 /nfs/dbraw/zinc/53/43/87/1259534387.db2.gz BQLGAYGWPLBMLP-HLLBOEOZSA-N 2 1 362.474 0.817 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)no1 ZINC001215536158 1259534422 /nfs/dbraw/zinc/53/44/22/1259534422.db2.gz KGQLFIUZQCSYQH-VNHYZAJKSA-N 2 1 363.462 0.842 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216229597 1259537502 /nfs/dbraw/zinc/53/75/02/1259537502.db2.gz LONQEADMTKHGDN-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1CN(c2ccc(-c3cnc(N4CC[NH+](C)CC4)nc3)nn2)CC[NH2+]1 ZINC001235914742 1259585454 /nfs/dbraw/zinc/58/54/54/1259585454.db2.gz RSRWUCSCYKCJJL-CQSZACIVSA-N 2 1 354.462 0.484 20 0 FCADMP COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cnc3n2CC[NH2+]C3)c1 ZINC001237457287 1259600440 /nfs/dbraw/zinc/60/04/40/1259600440.db2.gz WRPCIOSWHPTIDG-QGZVFWFLSA-N 2 1 355.442 0.919 20 0 FCADMP CCn1cncc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001237590148 1259604693 /nfs/dbraw/zinc/60/46/93/1259604693.db2.gz XDRHYAQQWOWHJE-UHFFFAOYSA-N 2 1 363.506 0.906 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3ccc(OC4C[NH2+]C4)cn3)cc2)CC1 ZINC001242101369 1259634330 /nfs/dbraw/zinc/63/43/30/1259634330.db2.gz UBFYWCRLIORJTL-UHFFFAOYSA-N 2 1 367.453 0.991 20 0 FCADMP OCCc1ccc(OC[C@@H](O)CNC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001245986703 1259643902 /nfs/dbraw/zinc/64/39/02/1259643902.db2.gz PYHFQHSXJBIDPK-MSOLQXFVSA-N 2 1 363.502 0.425 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]1C2 ZINC001246044991 1259645176 /nfs/dbraw/zinc/64/51/76/1259645176.db2.gz IRTMNHCWWULXQR-BYDUFCQCSA-N 2 1 360.454 0.757 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246032937 1259645466 /nfs/dbraw/zinc/64/54/66/1259645466.db2.gz ZVSXMMMWIPMNMN-OTWHNJEPSA-N 2 1 368.472 0.613 20 0 FCADMP COC(=O)[C@H](N)[C@H]1CCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052914 1259647094 /nfs/dbraw/zinc/64/70/94/1259647094.db2.gz MKMSRHNVUWFSBC-KKBVYLPWSA-N 2 1 371.428 0.408 20 0 FCADMP COC(=O)[C@H](N)[C@H]1CCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052914 1259647106 /nfs/dbraw/zinc/64/71/06/1259647106.db2.gz MKMSRHNVUWFSBC-KKBVYLPWSA-N 2 1 371.428 0.408 20 0 FCADMP O=c1ccc2c(n1CCN1CCOCC1)CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246157481 1259649212 /nfs/dbraw/zinc/64/92/12/1259649212.db2.gz OUTPXLPTWCTOAS-MSOLQXFVSA-N 2 1 360.502 0.379 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CN1 ZINC001246191945 1259650873 /nfs/dbraw/zinc/65/08/73/1259650873.db2.gz BMTRBRLKMSYGFK-MOPGFXCFSA-N 2 1 360.502 0.817 20 0 FCADMP NC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246321805 1259652049 /nfs/dbraw/zinc/65/20/49/1259652049.db2.gz YLWVUSHKPCADRM-QGZVFWFLSA-N 2 1 357.502 0.190 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587095 1259656004 /nfs/dbraw/zinc/65/60/04/1259656004.db2.gz VFNDEXJQHZVZLZ-YVSFHVDLSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587095 1259656015 /nfs/dbraw/zinc/65/60/15/1259656015.db2.gz VFNDEXJQHZVZLZ-YVSFHVDLSA-N 2 1 361.442 0.084 20 0 FCADMP COc1ccc(CN2CC[C@@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)CC2=O)cc1 ZINC001246624978 1259656218 /nfs/dbraw/zinc/65/62/18/1259656218.db2.gz DUQNNUOGXJPDCD-XLIONFOSSA-N 2 1 358.486 0.824 20 0 FCADMP CCOC(=O)[C@@H]1CC2(CN1[C@@H]1C[NH2+][C@](CC)(C(=O)OC)C1)CC[NH2+]CC2 ZINC001246610588 1259657811 /nfs/dbraw/zinc/65/78/11/1259657811.db2.gz PSNZRKINHWHHMM-DOXZYTNZSA-N 2 1 367.490 0.677 20 0 FCADMP COc1cccc(C(=O)N2CCC([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC001246645321 1259659102 /nfs/dbraw/zinc/65/91/02/1259659102.db2.gz UGQRPVKKQOLQTF-HXUWFJFHSA-N 2 1 358.486 0.937 20 0 FCADMP COc1cccc(C(=O)N2CCC([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC001246645321 1259659114 /nfs/dbraw/zinc/65/91/14/1259659114.db2.gz UGQRPVKKQOLQTF-HXUWFJFHSA-N 2 1 358.486 0.937 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246683816 1259659824 /nfs/dbraw/zinc/65/98/24/1259659824.db2.gz UIDREGDSGFFGJP-FPXQBCRKSA-N 2 1 367.490 0.535 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N(c2[nH+]ccn2C)[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246697511 1259661118 /nfs/dbraw/zinc/66/11/18/1259661118.db2.gz IBFALCNZCWYINW-ZNMIVQPWSA-N 2 1 363.462 0.041 20 0 FCADMP Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246699730 1259661917 /nfs/dbraw/zinc/66/19/17/1259661917.db2.gz DYWUFHZICNDBAK-BVIKNXMNSA-N 2 1 373.501 0.081 20 0 FCADMP O=C([C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2)N1CCOCC1 ZINC001246699531 1259663084 /nfs/dbraw/zinc/66/30/84/1259663084.db2.gz ZAKHHFJWQWIUFD-UJJTZGENSA-N 2 1 363.502 0.857 20 0 FCADMP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246714079 1259668024 /nfs/dbraw/zinc/66/80/24/1259668024.db2.gz IULZNAVWQKTTDK-FGTMMUONSA-N 2 1 355.486 0.659 20 0 FCADMP Cn1cc(C[N@H+]2CCCC23CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731158 1259670992 /nfs/dbraw/zinc/67/09/92/1259670992.db2.gz BNPGVBJHCKZGQB-SFHVURJKSA-N 2 1 358.534 0.945 20 0 FCADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731158 1259670999 /nfs/dbraw/zinc/67/09/99/1259670999.db2.gz BNPGVBJHCKZGQB-SFHVURJKSA-N 3 1 358.534 0.945 20 0 FCADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731158 1259671007 /nfs/dbraw/zinc/67/10/07/1259671007.db2.gz BNPGVBJHCKZGQB-SFHVURJKSA-N 3 1 358.534 0.945 20 0 FCADMP O=C(c1cnccn1)N1CCC[C@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737826 1259672960 /nfs/dbraw/zinc/67/29/60/1259672960.db2.gz KATDAMZNBXTZLE-QFBILLFUSA-N 2 1 370.501 0.499 20 0 FCADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)N1Cc1cccnc1 ZINC001246741359 1259674670 /nfs/dbraw/zinc/67/46/70/1259674670.db2.gz XWSKTPLVSOEWTQ-KZNAEPCWSA-N 2 1 355.486 0.741 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NC1CCC1 ZINC001246745678 1259677647 /nfs/dbraw/zinc/67/76/47/1259677647.db2.gz GSMGIEGDJSBHON-AHCXZYCDSA-N 2 1 362.518 0.334 20 0 FCADMP c1cnc(N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nc1 ZINC001246746511 1259677979 /nfs/dbraw/zinc/67/79/79/1259677979.db2.gz HSGSBIISGOLTJL-BRWVUGGUSA-N 2 1 358.490 0.098 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771676 1259686308 /nfs/dbraw/zinc/68/63/08/1259686308.db2.gz YHYBSERNBFERER-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771676 1259686319 /nfs/dbraw/zinc/68/63/19/1259686319.db2.gz YHYBSERNBFERER-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246773492 1259689575 /nfs/dbraw/zinc/68/95/75/1259689575.db2.gz KYAHAXJGEHNUGL-KRWDZBQOSA-N 3 1 374.533 0.451 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246773492 1259689584 /nfs/dbraw/zinc/68/95/84/1259689584.db2.gz KYAHAXJGEHNUGL-KRWDZBQOSA-N 3 1 374.533 0.451 20 0 FCADMP O=C1[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246856113 1259692876 /nfs/dbraw/zinc/69/28/76/1259692876.db2.gz YBJOCYVYIQZPER-YESZJQIVSA-N 2 1 354.454 0.197 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4C[NH2+]C[C@@H](O)C4)n3)c2)CC1 ZINC001247746263 1259704248 /nfs/dbraw/zinc/70/42/48/1259704248.db2.gz ALKQRLNCPKHDKI-SJORKVTESA-N 2 1 357.458 0.922 20 0 FCADMP COCC1(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC[NH2+]CC1 ZINC001335594955 1259733066 /nfs/dbraw/zinc/73/30/66/1259733066.db2.gz DCZKALBGESXEGH-GJZGRUSLSA-N 2 1 356.536 0.882 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001335607663 1259739754 /nfs/dbraw/zinc/73/97/54/1259739754.db2.gz RECUXBYEFBGZTM-IAGOWNOFSA-N 2 1 366.506 0.651 20 0 FCADMP COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252416563 1259784795 /nfs/dbraw/zinc/78/47/95/1259784795.db2.gz ZPXOLJCHVCTJJA-GGPKGHCWSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252416563 1259784803 /nfs/dbraw/zinc/78/48/03/1259784803.db2.gz ZPXOLJCHVCTJJA-GGPKGHCWSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252416563 1259784814 /nfs/dbraw/zinc/78/48/14/1259784814.db2.gz ZPXOLJCHVCTJJA-GGPKGHCWSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252416563 1259784821 /nfs/dbraw/zinc/78/48/21/1259784821.db2.gz ZPXOLJCHVCTJJA-GGPKGHCWSA-N 2 1 366.502 0.981 20 0 FCADMP O=C1COCC2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252927223 1259813540 /nfs/dbraw/zinc/81/35/40/1259813540.db2.gz WOKNBZYXJXFIHE-FQEVSTJZSA-N 2 1 359.470 0.604 20 0 FCADMP O=C1COCC2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252927223 1259813547 /nfs/dbraw/zinc/81/35/47/1259813547.db2.gz WOKNBZYXJXFIHE-FQEVSTJZSA-N 2 1 359.470 0.604 20 0 FCADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CC1(O)CCOCC1)CCC2 ZINC001252960988 1259815939 /nfs/dbraw/zinc/81/59/39/1259815939.db2.gz CFHBYAVQPYFQKK-UHFFFAOYSA-N 2 1 364.490 0.832 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001253052050 1259818205 /nfs/dbraw/zinc/81/82/05/1259818205.db2.gz VMRFCTKVLNGDEJ-LJQANCHMSA-N 2 1 365.518 0.794 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001253185720 1259827051 /nfs/dbraw/zinc/82/70/51/1259827051.db2.gz SWMHJWDIMMQXCI-NCXUSEDFSA-N 2 1 367.534 0.942 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185885 1259828675 /nfs/dbraw/zinc/82/86/75/1259828675.db2.gz JOKHSZRZNKALRT-MJGOQNOKSA-N 2 1 363.506 0.942 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185885 1259828682 /nfs/dbraw/zinc/82/86/82/1259828682.db2.gz JOKHSZRZNKALRT-MJGOQNOKSA-N 2 1 363.506 0.942 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001253212303 1259831126 /nfs/dbraw/zinc/83/11/26/1259831126.db2.gz IBSZSDJBLLGPNQ-OAHLLOKOSA-N 2 1 372.510 0.358 20 0 FCADMP Cn1cc(N2CC[C@]3(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)cn1 ZINC001253391368 1259838933 /nfs/dbraw/zinc/83/89/33/1259838933.db2.gz KGJNRQLGSOGHDC-APWZRJJASA-N 2 1 363.506 0.988 20 0 FCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874990 1259861472 /nfs/dbraw/zinc/86/14/72/1259861472.db2.gz QRVPERIGMVOYJJ-RUZGCFLTSA-N 2 1 363.412 1.000 20 0 FCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874990 1259861476 /nfs/dbraw/zinc/86/14/76/1259861476.db2.gz QRVPERIGMVOYJJ-RUZGCFLTSA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874990 1259861485 /nfs/dbraw/zinc/86/14/85/1259861485.db2.gz QRVPERIGMVOYJJ-RUZGCFLTSA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874990 1259861493 /nfs/dbraw/zinc/86/14/93/1259861493.db2.gz QRVPERIGMVOYJJ-RUZGCFLTSA-N 2 1 363.412 1.000 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523102 1259889221 /nfs/dbraw/zinc/88/92/21/1259889221.db2.gz SBRWPDMUQWIVBQ-BSDSXHPESA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[NH+]([C@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523102 1259889227 /nfs/dbraw/zinc/88/92/27/1259889227.db2.gz SBRWPDMUQWIVBQ-BSDSXHPESA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[NH+]([C@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523102 1259889231 /nfs/dbraw/zinc/88/92/31/1259889231.db2.gz SBRWPDMUQWIVBQ-BSDSXHPESA-N 2 1 361.490 0.866 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](CO)CC3CCOCC3)cn2)CC1 ZINC001256035527 1259932426 /nfs/dbraw/zinc/93/24/26/1259932426.db2.gz OWUJXZZUKNOGJB-KRWDZBQOSA-N 2 1 363.506 0.743 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999315 1259937155 /nfs/dbraw/zinc/93/71/55/1259937155.db2.gz DSDZZGWEGDTRAE-QZTJIDSGSA-N 2 1 357.495 0.795 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999315 1259937163 /nfs/dbraw/zinc/93/71/63/1259937163.db2.gz DSDZZGWEGDTRAE-QZTJIDSGSA-N 2 1 357.495 0.795 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C[C@@H]32)cn1 ZINC001256208079 1259937629 /nfs/dbraw/zinc/93/76/29/1259937629.db2.gz VZYOIANCRDJLFV-JCGIZDLHSA-N 2 1 361.490 0.581 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C[C@@H]32)cn1 ZINC001256208079 1259937639 /nfs/dbraw/zinc/93/76/39/1259937639.db2.gz VZYOIANCRDJLFV-JCGIZDLHSA-N 2 1 361.490 0.581 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCO)CCN1C(=O)OC(C)(C)C ZINC001256507967 1259953799 /nfs/dbraw/zinc/95/37/99/1259953799.db2.gz ZYDXPSPWAKBFNS-CABCVRRESA-N 2 1 373.494 0.831 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001258373392 1260048131 /nfs/dbraw/zinc/04/81/31/1260048131.db2.gz HNUGBILHKQRGAM-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C[C@@H]2C1 ZINC001336268325 1260062671 /nfs/dbraw/zinc/06/26/71/1260062671.db2.gz VHEIAHFGVPBBET-QLFBSQMISA-N 2 1 350.463 0.707 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515736 1260153094 /nfs/dbraw/zinc/15/30/94/1260153094.db2.gz RMRTYXLGZWUMOU-BBWFWOEESA-N 2 1 366.506 0.333 20 0 FCADMP CC(C)(C)C(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336832768 1260233506 /nfs/dbraw/zinc/23/35/06/1260233506.db2.gz APFWHFCUDBYQFJ-IYBDPMFKSA-N 2 1 365.522 0.759 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001336878141 1260244338 /nfs/dbraw/zinc/24/43/38/1260244338.db2.gz VZHRIULQKHFEJB-YJBOKZPZSA-N 2 1 352.479 0.309 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@H]1C[NH3+] ZINC001336876710 1260244670 /nfs/dbraw/zinc/24/46/70/1260244670.db2.gz IWFAPDYSOWWXIH-CVEARBPZSA-N 2 1 354.495 0.494 20 0 FCADMP C[NH+]1CCN(C2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC001262007166 1260244832 /nfs/dbraw/zinc/24/48/32/1260244832.db2.gz WHWMWOMRHKBMDH-GOSISDBHSA-N 2 1 360.506 0.660 20 0 FCADMP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262046426 1260249788 /nfs/dbraw/zinc/24/97/88/1260249788.db2.gz QIQMFLBUPHMTFK-QRVBRYPASA-N 2 1 366.550 0.925 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001262067197 1260254994 /nfs/dbraw/zinc/25/49/94/1260254994.db2.gz VGQFQKFHRSUTGL-NRSFXHEJSA-N 2 1 358.486 0.867 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001336927370 1260255931 /nfs/dbraw/zinc/25/59/31/1260255931.db2.gz XYYDCQIWOPHETL-HKUYNNGSSA-N 2 1 365.522 0.321 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001336927373 1260256055 /nfs/dbraw/zinc/25/60/55/1260256055.db2.gz XYYDCQIWOPHETL-IEBWSBKVSA-N 2 1 365.522 0.321 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001336966252 1260271140 /nfs/dbraw/zinc/27/11/40/1260271140.db2.gz WLTAUAAIBIWFGG-DOTOQJQBSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001262574696 1260330304 /nfs/dbraw/zinc/33/03/04/1260330304.db2.gz YLGCSOAYEKTRIS-DLBZAZTESA-N 2 1 360.506 0.972 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001337359140 1260378760 /nfs/dbraw/zinc/37/87/60/1260378760.db2.gz UJIUWDLYGIKHKI-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650330 1260443962 /nfs/dbraw/zinc/44/39/62/1260443962.db2.gz FEJNYIVBPVOIRI-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001272745957 1260497210 /nfs/dbraw/zinc/49/72/10/1260497210.db2.gz UXGBBYBTTBZBTH-DLBZAZTESA-N 2 1 360.502 0.768 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc5c[nH+]cn5c4)CC3)[C@@H]2C1 ZINC001272745914 1260497263 /nfs/dbraw/zinc/49/72/63/1260497263.db2.gz UGHAVMGNEFYGFD-HZPDHXFCSA-N 2 1 353.426 0.617 20 0 FCADMP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3OCCN(CCn4ccnc4)[C@H]3C2)C1 ZINC001273254817 1260638511 /nfs/dbraw/zinc/63/85/11/1260638511.db2.gz MEQILOLHAAQCPB-SQNIBIBYSA-N 2 1 361.490 0.527 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183980 1260686428 /nfs/dbraw/zinc/68/64/28/1260686428.db2.gz UWGHWHNNKNLLBI-PMACEKPBSA-N 2 1 366.550 0.973 20 0 FCADMP COC(=O)CCn1nc(C)c(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c1C ZINC001278713171 1260720281 /nfs/dbraw/zinc/72/02/81/1260720281.db2.gz XBEFIEKPXAQYAH-UHFFFAOYSA-N 2 1 363.506 0.742 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC001332218951 1266359649 /nfs/dbraw/zinc/35/96/49/1266359649.db2.gz XIPFNOAOVFZYBH-QGZVFWFLSA-N 2 1 360.458 0.379 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@H]2C1 ZINC001279162835 1260795640 /nfs/dbraw/zinc/79/56/40/1260795640.db2.gz CRAHUOPJFQPFKA-IRXDYDNUSA-N 2 1 362.474 0.648 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN1CCOCC1 ZINC001279246923 1260810350 /nfs/dbraw/zinc/81/03/50/1260810350.db2.gz POIQEAONTMADGJ-GBESFXJTSA-N 2 1 362.518 0.478 20 0 FCADMP CC/C=C\CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001279520974 1260883188 /nfs/dbraw/zinc/88/31/88/1260883188.db2.gz JLKIDIIKDZFRDN-JEZUCGJFSA-N 2 1 362.518 0.943 20 0 FCADMP Cc1n[nH]c(C)c1C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279674766 1260913526 /nfs/dbraw/zinc/91/35/26/1260913526.db2.gz OWZYNHYBIQYPRA-LJQANCHMSA-N 2 1 362.522 0.745 20 0 FCADMP Cc1n[nH]c(C)c1C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279674765 1260913632 /nfs/dbraw/zinc/91/36/32/1260913632.db2.gz OWZYNHYBIQYPRA-IBGZPJMESA-N 2 1 362.522 0.745 20 0 FCADMP O=C(N1CCn2cnnc2C1)[C@@]12C[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001279844938 1260942156 /nfs/dbraw/zinc/94/21/56/1260942156.db2.gz YKAACRHZQUAHDR-VQIMIIECSA-N 2 1 358.490 0.818 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4cn[nH]c4)C[C@@H]3O2)CC1 ZINC001279919284 1260962399 /nfs/dbraw/zinc/96/23/99/1260962399.db2.gz PQOFXLXAKLXBCO-NXHRZFHOSA-N 2 1 361.490 0.942 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001279929169 1260968911 /nfs/dbraw/zinc/96/89/11/1260968911.db2.gz MGSXELVRXFGUBI-XIKOKIGWSA-N 2 1 361.446 0.371 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCOC(C)C)CC3)[C@H]2C1 ZINC001280082371 1260994293 /nfs/dbraw/zinc/99/42/93/1260994293.db2.gz JXSGOKXVUAXDAA-IRXDYDNUSA-N 2 1 369.506 0.544 20 0 FCADMP CCOC(=O)CC[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001280091327 1260997987 /nfs/dbraw/zinc/99/79/87/1260997987.db2.gz NJOXEHVTOQIIMF-LHHMISFZSA-N 2 1 367.490 0.364 20 0 FCADMP CCOC(=O)CC[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001280091327 1260997990 /nfs/dbraw/zinc/99/79/90/1260997990.db2.gz NJOXEHVTOQIIMF-LHHMISFZSA-N 2 1 367.490 0.364 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(CN(CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280134996 1261012980 /nfs/dbraw/zinc/01/29/80/1261012980.db2.gz IKJJKVGIIRTONN-GOSISDBHSA-N 2 1 364.534 0.772 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280170196 1261019900 /nfs/dbraw/zinc/01/99/00/1261019900.db2.gz TVCPNFCXZWWEIK-LJQANCHMSA-N 2 1 367.538 0.073 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280170196 1261019904 /nfs/dbraw/zinc/01/99/04/1261019904.db2.gz TVCPNFCXZWWEIK-LJQANCHMSA-N 2 1 367.538 0.073 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001332333430 1266378723 /nfs/dbraw/zinc/37/87/23/1266378723.db2.gz BGXIYJAPZLONIE-ZWKOTPCHSA-N 2 1 362.474 0.364 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201374 1261030529 /nfs/dbraw/zinc/03/05/29/1261030529.db2.gz PTFSCXONTHIBQC-ILZDJORESA-N 2 1 365.518 0.793 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280215649 1261035858 /nfs/dbraw/zinc/03/58/58/1261035858.db2.gz OEKQAPXNROCEAR-FOIQADDNSA-N 2 1 364.509 0.905 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001280227676 1261040164 /nfs/dbraw/zinc/04/01/64/1261040164.db2.gz PZDRTCQHJOXOFL-APWZRJJASA-N 2 1 368.522 0.356 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259439 1261043102 /nfs/dbraw/zinc/04/31/02/1261043102.db2.gz ONGARQPFRRNBLN-AHCXZYCDSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259439 1261043110 /nfs/dbraw/zinc/04/31/10/1261043110.db2.gz ONGARQPFRRNBLN-AHCXZYCDSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259439 1261043115 /nfs/dbraw/zinc/04/31/15/1261043115.db2.gz ONGARQPFRRNBLN-AHCXZYCDSA-N 2 1 361.490 0.847 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001281848954 1261232092 /nfs/dbraw/zinc/23/20/92/1261232092.db2.gz YRELWMFZVVAWNC-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OC ZINC001281848954 1261232096 /nfs/dbraw/zinc/23/20/96/1261232096.db2.gz YRELWMFZVVAWNC-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC001281848954 1261232100 /nfs/dbraw/zinc/23/21/00/1261232100.db2.gz YRELWMFZVVAWNC-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001281925483 1261290379 /nfs/dbraw/zinc/29/03/79/1261290379.db2.gz FBUFZVASZZAOKF-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001282014026 1261332758 /nfs/dbraw/zinc/33/27/58/1261332758.db2.gz QCJFRBAYXHQFIB-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001282014026 1261332763 /nfs/dbraw/zinc/33/27/63/1261332763.db2.gz QCJFRBAYXHQFIB-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCOC(=O)N1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001473995350 1261503870 /nfs/dbraw/zinc/50/38/70/1261503870.db2.gz HDUVKDUCLSWZOG-KRWDZBQOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001580292412 1278100909 /nfs/dbraw/zinc/10/09/09/1278100909.db2.gz VLSDTDKSCITYMR-LBPRGKRZSA-N 2 1 360.466 0.578 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC001285956583 1261897154 /nfs/dbraw/zinc/89/71/54/1261897154.db2.gz WRVJMKMVVVAYGI-KFWWJZLASA-N 2 1 359.474 0.773 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2(C[NH+](C)C)CC2)C3)CC[N@H+]1C ZINC001288558751 1262024632 /nfs/dbraw/zinc/02/46/32/1262024632.db2.gz BKVGXQJRDFWUER-HZPDHXFCSA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696994 1262312520 /nfs/dbraw/zinc/31/25/20/1262312520.db2.gz XULKLYLHFMNYLJ-SJORKVTESA-N 2 1 368.522 0.282 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001580341156 1278137747 /nfs/dbraw/zinc/13/77/47/1278137747.db2.gz SNDZCHMCUJDCSC-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580341156 1278137751 /nfs/dbraw/zinc/13/77/51/1278137751.db2.gz SNDZCHMCUJDCSC-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580341156 1278137753 /nfs/dbraw/zinc/13/77/53/1278137753.db2.gz SNDZCHMCUJDCSC-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)CC[NH+]2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001294912365 1262751406 /nfs/dbraw/zinc/75/14/06/1262751406.db2.gz JWXSBSSVGIAOAP-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)CC[NH+]2CCOCC2)C2CC2)CC[N@H+]1C ZINC001294912365 1262751408 /nfs/dbraw/zinc/75/14/08/1262751408.db2.gz JWXSBSSVGIAOAP-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+](C)[C@@]1(C(=O)N2CC([NH2+]C3CCOCC3)C2)COc2ccccc2C1 ZINC001303646114 1263110981 /nfs/dbraw/zinc/11/09/81/1263110981.db2.gz LHERJNIZXCJQTM-HXUWFJFHSA-N 2 1 359.470 0.901 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179177 1263176229 /nfs/dbraw/zinc/17/62/29/1263176229.db2.gz UWFVBYINQCBVQX-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179177 1263176238 /nfs/dbraw/zinc/17/62/38/1263176238.db2.gz UWFVBYINQCBVQX-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179177 1263176242 /nfs/dbraw/zinc/17/62/42/1263176242.db2.gz UWFVBYINQCBVQX-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001479368133 1263187336 /nfs/dbraw/zinc/18/73/36/1263187336.db2.gz CJHCDZHTHMCIBH-KBUPBQIOSA-N 2 1 367.494 0.047 20 0 FCADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308167308 1263215353 /nfs/dbraw/zinc/21/53/53/1263215353.db2.gz FAGLPBJGHVYLKT-QLPKVWCKSA-N 2 1 366.506 0.994 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001479579042 1263261815 /nfs/dbraw/zinc/26/18/15/1263261815.db2.gz RMOJMXRBJCOJHR-ILXRZTDVSA-N 2 1 369.510 0.518 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001479672261 1263332116 /nfs/dbraw/zinc/33/21/16/1263332116.db2.gz OSDNBGMOBUYPSB-SQNIBIBYSA-N 2 1 353.507 0.506 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3(CS(C)(=O)=O)CC3)CCC2)CC[N@H+]1C ZINC001484634291 1263481132 /nfs/dbraw/zinc/48/11/32/1263481132.db2.gz JDXIEUWLBJSZMI-HUUCEWRRSA-N 2 1 371.547 0.780 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001484634008 1263481488 /nfs/dbraw/zinc/48/14/88/1263481488.db2.gz COQPLUQUIHRFKD-HUUCEWRRSA-N 2 1 363.510 0.942 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001484634008 1263481495 /nfs/dbraw/zinc/48/14/95/1263481495.db2.gz COQPLUQUIHRFKD-HUUCEWRRSA-N 2 1 363.510 0.942 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001487189256 1263594259 /nfs/dbraw/zinc/59/42/59/1263594259.db2.gz CAIHIJUEAMLQBT-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001487189256 1263594269 /nfs/dbraw/zinc/59/42/69/1263594269.db2.gz CAIHIJUEAMLQBT-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001487189256 1263594274 /nfs/dbraw/zinc/59/42/74/1263594274.db2.gz CAIHIJUEAMLQBT-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC001320359194 1263788387 /nfs/dbraw/zinc/78/83/87/1263788387.db2.gz IZPXHIRBQJZTSF-FQEVSTJZSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC001320359194 1263788392 /nfs/dbraw/zinc/78/83/92/1263788392.db2.gz IZPXHIRBQJZTSF-FQEVSTJZSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC001320359194 1263788397 /nfs/dbraw/zinc/78/83/97/1263788397.db2.gz IZPXHIRBQJZTSF-FQEVSTJZSA-N 2 1 371.529 0.440 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@H](O)Cn3cccn3)CCCC2)CC[N@H+]1C ZINC001495161030 1263801060 /nfs/dbraw/zinc/80/10/60/1263801060.db2.gz SIVGLVIGVKPPDK-IXDOHACOSA-N 2 1 363.506 0.603 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001497148135 1263918077 /nfs/dbraw/zinc/91/80/77/1263918077.db2.gz ATEDIPCQWXBNJT-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001321632905 1264017355 /nfs/dbraw/zinc/01/73/55/1264017355.db2.gz SWQOBQYIVNFSLF-UHFFFAOYSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001322316306 1264181557 /nfs/dbraw/zinc/18/15/57/1264181557.db2.gz QKKLOFBLRLLTHQ-HNNXBMFYSA-N 2 1 370.457 0.688 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001502870477 1264184037 /nfs/dbraw/zinc/18/40/37/1264184037.db2.gz NIHIRUNOGOUYIQ-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001502922539 1264186696 /nfs/dbraw/zinc/18/66/96/1264186696.db2.gz LZPTXRXNRWOQPI-RRFJBIMHSA-N 2 1 364.494 0.019 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001322598954 1264228049 /nfs/dbraw/zinc/22/80/49/1264228049.db2.gz WGDLITDUYNYUEI-SJORKVTESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580400592 1278225341 /nfs/dbraw/zinc/22/53/41/1278225341.db2.gz GJNXSMVCRPRARV-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322958163 1264301694 /nfs/dbraw/zinc/30/16/94/1264301694.db2.gz OQLGDSYQCBKQGC-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322958163 1264301699 /nfs/dbraw/zinc/30/16/99/1264301699.db2.gz OQLGDSYQCBKQGC-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001323235598 1264373324 /nfs/dbraw/zinc/37/33/24/1264373324.db2.gz LCLHNSUQFCVNII-AWEZNQCLSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC001324862283 1264718798 /nfs/dbraw/zinc/71/87/98/1264718798.db2.gz GZEAEFJMWMTOIU-KRWDZBQOSA-N 2 1 371.485 0.735 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC001324862283 1264718803 /nfs/dbraw/zinc/71/88/03/1264718803.db2.gz GZEAEFJMWMTOIU-KRWDZBQOSA-N 2 1 371.485 0.735 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580406509 1278240760 /nfs/dbraw/zinc/24/07/60/1278240760.db2.gz MWXVFPJEZUGHKK-HIFRSBDPSA-N 2 1 357.462 0.803 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001326036685 1265049855 /nfs/dbraw/zinc/04/98/55/1265049855.db2.gz TWUVOPIBOZBWGO-OKZBNKHCSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001326971013 1265211217 /nfs/dbraw/zinc/21/12/17/1265211217.db2.gz XNGVLMRBQRMWPX-QGZVFWFLSA-N 2 1 357.458 0.427 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCO[C@H](C)C2)CC[N@H+]1C ZINC001327213417 1265256582 /nfs/dbraw/zinc/25/65/82/1265256582.db2.gz SJLGUASXZCNXDQ-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)N2CCO[C@H](C)C2)CC[NH+]1C ZINC001327213417 1265256589 /nfs/dbraw/zinc/25/65/89/1265256589.db2.gz SJLGUASXZCNXDQ-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)N2CCO[C@H](C)C2)CC[NH+]1C ZINC001327213417 1265256594 /nfs/dbraw/zinc/25/65/94/1265256594.db2.gz SJLGUASXZCNXDQ-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001327720156 1265403919 /nfs/dbraw/zinc/40/39/19/1265403919.db2.gz GQDGHEUFTMDMTE-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001327720156 1265403926 /nfs/dbraw/zinc/40/39/26/1265403926.db2.gz GQDGHEUFTMDMTE-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001332572773 1266432305 /nfs/dbraw/zinc/43/23/05/1266432305.db2.gz JHDQOVRXEPXASQ-KZNAEPCWSA-N 2 1 365.522 0.176 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333634639 1266659507 /nfs/dbraw/zinc/65/95/07/1266659507.db2.gz JODQIQBBLSWBQS-JKSUJKDBSA-N 2 1 351.495 0.452 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001334006076 1266774114 /nfs/dbraw/zinc/77/41/14/1266774114.db2.gz RKVXZUHJURIEHD-CALCHBBNSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001334006076 1266774123 /nfs/dbraw/zinc/77/41/23/1266774123.db2.gz RKVXZUHJURIEHD-CALCHBBNSA-N 2 1 374.485 0.583 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001529213011 1267044241 /nfs/dbraw/zinc/04/42/41/1267044241.db2.gz UDSWKIIUPMCPQP-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001529213011 1267044253 /nfs/dbraw/zinc/04/42/53/1267044253.db2.gz UDSWKIIUPMCPQP-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001548829767 1267761613 /nfs/dbraw/zinc/76/16/13/1267761613.db2.gz WNJUAFROBLJGCR-KRWDZBQOSA-N 2 1 355.486 0.867 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001548829767 1267761618 /nfs/dbraw/zinc/76/16/18/1267761618.db2.gz WNJUAFROBLJGCR-KRWDZBQOSA-N 2 1 355.486 0.867 20 0 FCADMP Cn1nccc1[C@H]1[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCC[N@H+]1C ZINC001548941617 1267775817 /nfs/dbraw/zinc/77/58/17/1267775817.db2.gz XLRGEIKNZPKSSY-CKEIUWERSA-N 2 1 372.477 0.359 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3[N@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC001548998232 1267785720 /nfs/dbraw/zinc/78/57/20/1267785720.db2.gz UJPVBCHESYDOQR-KZNAEPCWSA-N 2 1 373.501 0.551 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])cn1 ZINC001549034821 1267792812 /nfs/dbraw/zinc/79/28/12/1267792812.db2.gz SHEJDBJTTZOJRA-NEWSRXKRSA-N 2 1 368.485 0.980 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)C1 ZINC001549037799 1267794061 /nfs/dbraw/zinc/79/40/61/1267794061.db2.gz DKDBXUDIPMQRSD-HNAYVOBHSA-N 2 1 370.497 0.889 20 0 FCADMP C[NH+](C)C1CC(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001549151034 1267828690 /nfs/dbraw/zinc/82/86/90/1267828690.db2.gz BLTALUKQRZPWBY-UHFFFAOYSA-N 2 1 354.495 0.507 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC001549215085 1267858786 /nfs/dbraw/zinc/85/87/86/1267858786.db2.gz UQNBBNGUTYVHPS-OWCLPIDISA-N 2 1 352.479 0.389 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nn1 ZINC001549295571 1267893616 /nfs/dbraw/zinc/89/36/16/1267893616.db2.gz LFNREVQZKLPHNF-TXCZRRACSA-N 2 1 362.478 0.113 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001549298698 1267895804 /nfs/dbraw/zinc/89/58/04/1267895804.db2.gz SPOCUBYMLDEKDD-BMFZPTHFSA-N 2 1 360.462 0.186 20 0 FCADMP O=C(N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001549367312 1267911403 /nfs/dbraw/zinc/91/14/03/1267911403.db2.gz YXHMQWRYNAODQG-IXDOHACOSA-N 2 1 366.506 0.386 20 0 FCADMP O=C(N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001549367312 1267911408 /nfs/dbraw/zinc/91/14/08/1267911408.db2.gz YXHMQWRYNAODQG-IXDOHACOSA-N 2 1 366.506 0.386 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001549761661 1267993648 /nfs/dbraw/zinc/99/36/48/1267993648.db2.gz CKZJNDXWJBQXJU-HYVNUMGLSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001549761661 1267993653 /nfs/dbraw/zinc/99/36/53/1267993653.db2.gz CKZJNDXWJBQXJU-HYVNUMGLSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001549762474 1267995976 /nfs/dbraw/zinc/99/59/76/1267995976.db2.gz MKOBHJFUZOZFKJ-BBWFWOEESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)n1 ZINC001549762474 1267995982 /nfs/dbraw/zinc/99/59/82/1267995982.db2.gz MKOBHJFUZOZFKJ-BBWFWOEESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC001549762474 1267995987 /nfs/dbraw/zinc/99/59/87/1267995987.db2.gz MKOBHJFUZOZFKJ-BBWFWOEESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001549762474 1267995990 /nfs/dbraw/zinc/99/59/90/1267995990.db2.gz MKOBHJFUZOZFKJ-BBWFWOEESA-N 2 1 361.490 0.733 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@@H](O)C[C@@H]3C2)cc1 ZINC001550024096 1268054247 /nfs/dbraw/zinc/05/42/47/1268054247.db2.gz XVYMJXRGHLRVLD-KURKYZTESA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@@H](O)C[C@@H]3C2)cc1 ZINC001550024096 1268054258 /nfs/dbraw/zinc/05/42/58/1268054258.db2.gz XVYMJXRGHLRVLD-KURKYZTESA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@@H]3C2)cc1 ZINC001550024096 1268054268 /nfs/dbraw/zinc/05/42/68/1268054268.db2.gz XVYMJXRGHLRVLD-KURKYZTESA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@H+]3C[C@@H](O)C[C@@H]3C2)cc1 ZINC001550024096 1268054279 /nfs/dbraw/zinc/05/42/79/1268054279.db2.gz XVYMJXRGHLRVLD-KURKYZTESA-N 2 1 374.485 0.730 20 0 FCADMP O=C(CN1C[C@@H]2CCC[N@H+]2C[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC001550146119 1268083348 /nfs/dbraw/zinc/08/33/48/1268083348.db2.gz YGIRGRYTKRAYQM-PMACEKPBSA-N 2 1 372.513 0.472 20 0 FCADMP O=C(CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC001550146119 1268083362 /nfs/dbraw/zinc/08/33/62/1268083362.db2.gz YGIRGRYTKRAYQM-PMACEKPBSA-N 2 1 372.513 0.472 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[NH+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476620 1268124236 /nfs/dbraw/zinc/12/42/36/1268124236.db2.gz ALGLFBORZGCHRT-FWCYYJLNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476620 1268124237 /nfs/dbraw/zinc/12/42/37/1268124237.db2.gz ALGLFBORZGCHRT-FWCYYJLNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476620 1268124243 /nfs/dbraw/zinc/12/42/43/1268124243.db2.gz ALGLFBORZGCHRT-FWCYYJLNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)CC1 ZINC001550541163 1268130424 /nfs/dbraw/zinc/13/04/24/1268130424.db2.gz RQTXJYRNWYQCJM-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)CC1 ZINC001550541163 1268130426 /nfs/dbraw/zinc/13/04/26/1268130426.db2.gz RQTXJYRNWYQCJM-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001550541163 1268130432 /nfs/dbraw/zinc/13/04/32/1268130432.db2.gz RQTXJYRNWYQCJM-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC001550541163 1268130442 /nfs/dbraw/zinc/13/04/42/1268130442.db2.gz RQTXJYRNWYQCJM-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP COCCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338983970 1268138724 /nfs/dbraw/zinc/13/87/24/1268138724.db2.gz WERMVKIFCIJSOZ-GDBMZVCRSA-N 2 1 365.478 0.123 20 0 FCADMP COCCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338983970 1268138728 /nfs/dbraw/zinc/13/87/28/1268138728.db2.gz WERMVKIFCIJSOZ-GDBMZVCRSA-N 2 1 365.478 0.123 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001338997079 1268142994 /nfs/dbraw/zinc/14/29/94/1268142994.db2.gz BQIVBCFBUMNYBE-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730742 1268157604 /nfs/dbraw/zinc/15/76/04/1268157604.db2.gz IGQBDQADEDRUQY-CVEARBPZSA-N 2 1 354.495 0.413 20 0 FCADMP CC1([NH3+])CCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001550731157 1268158327 /nfs/dbraw/zinc/15/83/27/1268158327.db2.gz LPJWATNTGYCCFM-UHFFFAOYSA-N 2 1 354.495 0.827 20 0 FCADMP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001550745268 1268160649 /nfs/dbraw/zinc/16/06/49/1268160649.db2.gz RHBBOCYIRABKAJ-HRCADAONSA-N 2 1 352.479 0.260 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NCC(=O)N[C@H]4C3)C2)cc1 ZINC001550751825 1268161830 /nfs/dbraw/zinc/16/18/30/1268161830.db2.gz ROGWHFVLYSYMCJ-BZSNNMDCSA-N 2 1 371.485 0.441 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC(=O)N[C@H]4C3)C2)cc1 ZINC001550751825 1268161844 /nfs/dbraw/zinc/16/18/44/1268161844.db2.gz ROGWHFVLYSYMCJ-BZSNNMDCSA-N 2 1 371.485 0.441 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001550753966 1268162691 /nfs/dbraw/zinc/16/26/91/1268162691.db2.gz HTBRGFRSALNNNP-MDZRGWNJSA-N 2 1 359.474 0.915 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC001550753960 1268163184 /nfs/dbraw/zinc/16/31/84/1268163184.db2.gz HTBRGFRSALNNNP-GJYPPUQNSA-N 2 1 359.474 0.915 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2COCC[C@@H]2[NH3+])C1 ZINC001550753257 1268163363 /nfs/dbraw/zinc/16/33/63/1268163363.db2.gz XWTBEKIVMDPAFQ-SQNIBIBYSA-N 2 1 362.474 0.611 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2COCC[C@@H]2[NH3+])C1 ZINC001550753257 1268163365 /nfs/dbraw/zinc/16/33/65/1268163365.db2.gz XWTBEKIVMDPAFQ-SQNIBIBYSA-N 2 1 362.474 0.611 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550758172 1268164240 /nfs/dbraw/zinc/16/42/40/1268164240.db2.gz FYSORFXVQKYWOG-HNNXBMFYSA-N 2 1 354.495 0.243 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)[C@@H](O)C2 ZINC001550903159 1268181657 /nfs/dbraw/zinc/18/16/57/1268181657.db2.gz ITYLUDISYZKRNM-NEPXVJNWSA-N 2 1 353.507 0.287 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)[C@@H](O)C2 ZINC001550903159 1268181659 /nfs/dbraw/zinc/18/16/59/1268181659.db2.gz ITYLUDISYZKRNM-NEPXVJNWSA-N 2 1 353.507 0.287 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001551216119 1268213055 /nfs/dbraw/zinc/21/30/55/1268213055.db2.gz BOMFWWFRELKPOF-GBESFXJTSA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001551216119 1268213061 /nfs/dbraw/zinc/21/30/61/1268213061.db2.gz BOMFWWFRELKPOF-GBESFXJTSA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001551216119 1268213066 /nfs/dbraw/zinc/21/30/66/1268213066.db2.gz BOMFWWFRELKPOF-GBESFXJTSA-N 2 1 359.518 0.877 20 0 FCADMP O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387259 1268230555 /nfs/dbraw/zinc/23/05/55/1268230555.db2.gz JAOROQLYJROFTR-QZTJIDSGSA-N 2 1 374.485 0.858 20 0 FCADMP CNC(=O)[C@@]12C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414964 1268240371 /nfs/dbraw/zinc/24/03/71/1268240371.db2.gz KNTQAOMZYNHNQF-NRSPTQNISA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414964 1268240379 /nfs/dbraw/zinc/24/03/79/1268240379.db2.gz KNTQAOMZYNHNQF-NRSPTQNISA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414964 1268240388 /nfs/dbraw/zinc/24/03/88/1268240388.db2.gz KNTQAOMZYNHNQF-NRSPTQNISA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414964 1268240393 /nfs/dbraw/zinc/24/03/93/1268240393.db2.gz KNTQAOMZYNHNQF-NRSPTQNISA-N 2 1 373.497 0.708 20 0 FCADMP C[N@@H+]1[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]2C[C@H]1CO ZINC001551477848 1268258991 /nfs/dbraw/zinc/25/89/91/1268258991.db2.gz HZVCDPGCXJXPPA-LKGSSIFKSA-N 2 1 358.486 0.752 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)n1C ZINC001551548045 1268264208 /nfs/dbraw/zinc/26/42/08/1268264208.db2.gz ZONXPNDFOGPIMW-ZIAGYGMSSA-N 2 1 360.384 0.827 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551542345 1268264375 /nfs/dbraw/zinc/26/43/75/1268264375.db2.gz BQRHJOYQKMLPJI-UXOAXIEHSA-N 2 1 362.396 0.691 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551547582 1268264544 /nfs/dbraw/zinc/26/45/44/1268264544.db2.gz DOXMQLIORWJUMS-BHEGOAEISA-N 2 1 363.506 0.594 20 0 FCADMP Cc1[nH+]cc2n1CCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C2 ZINC001551554903 1268266717 /nfs/dbraw/zinc/26/67/17/1268266717.db2.gz KXYCZEUPRAOQOK-WBVHZDCISA-N 2 1 360.462 0.364 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551578209 1268276641 /nfs/dbraw/zinc/27/66/41/1268276641.db2.gz MKYMQPZVTMQOMD-HFTRVMKXSA-N 2 1 365.522 0.664 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596435 1268282150 /nfs/dbraw/zinc/28/21/50/1268282150.db2.gz TZJFTVGWSCDLFN-LESCRADOSA-N 2 1 365.522 0.616 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552123285 1268382897 /nfs/dbraw/zinc/38/28/97/1268382897.db2.gz COUZMJAZEIGEAT-KZNAEPCWSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCC(N2CCC(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC001552168773 1268401005 /nfs/dbraw/zinc/40/10/05/1268401005.db2.gz GHGUQJQXYLBRTQ-MRXNPFEDSA-N 2 1 361.494 0.101 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552200366 1268407542 /nfs/dbraw/zinc/40/75/42/1268407542.db2.gz QDQJEIYUVUECLT-OXJNMPFZSA-N 2 1 372.469 0.178 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552201394 1268408339 /nfs/dbraw/zinc/40/83/39/1268408339.db2.gz MUBDEOQTHJKITO-OXJNMPFZSA-N 2 1 372.469 0.639 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)C1 ZINC001552201664 1268408425 /nfs/dbraw/zinc/40/84/25/1268408425.db2.gz RHXMXVHPMOVBQN-JXXFODFXSA-N 2 1 372.469 0.558 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC001552304036 1268435591 /nfs/dbraw/zinc/43/55/91/1268435591.db2.gz YSGQQPPUKIGMQR-PKOBYXMFSA-N 2 1 358.486 0.912 20 0 FCADMP COCCOCC[NH+]1CCN(c2nnc([C@H]3CCC[N@H+](C)C3)n2C)CC1 ZINC001340102297 1268435723 /nfs/dbraw/zinc/43/57/23/1268435723.db2.gz JGYKCIDLQVEPSL-INIZCTEOSA-N 2 1 366.510 0.409 20 0 FCADMP COCCOCC[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+](C)C3)n2C)CC1 ZINC001340102297 1268435727 /nfs/dbraw/zinc/43/57/27/1268435727.db2.gz JGYKCIDLQVEPSL-INIZCTEOSA-N 2 1 366.510 0.409 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111435 1268438429 /nfs/dbraw/zinc/43/84/29/1268438429.db2.gz CAWGPQRNYZRSDH-TZIWHRDSSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111435 1268438435 /nfs/dbraw/zinc/43/84/35/1268438435.db2.gz CAWGPQRNYZRSDH-TZIWHRDSSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111435 1268438440 /nfs/dbraw/zinc/43/84/40/1268438440.db2.gz CAWGPQRNYZRSDH-TZIWHRDSSA-N 2 1 374.529 0.986 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3([NH2+]C)CCC3)CC2)CC1 ZINC001340216561 1268473573 /nfs/dbraw/zinc/47/35/73/1268473573.db2.gz AGPLNULWUXBZDT-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001340271031 1268493178 /nfs/dbraw/zinc/49/31/78/1268493178.db2.gz DRJVAAXYXUCHJT-QGZVFWFLSA-N 2 1 363.510 0.706 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340321786 1268510335 /nfs/dbraw/zinc/51/03/35/1268510335.db2.gz CMLOYWNZOFILIQ-QFBILLFUSA-N 2 1 369.506 0.757 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC001552680223 1268519688 /nfs/dbraw/zinc/51/96/88/1268519688.db2.gz KBZJUKNUJGAPAZ-INIZCTEOSA-N 2 1 363.506 0.981 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC001552680223 1268519693 /nfs/dbraw/zinc/51/96/93/1268519693.db2.gz KBZJUKNUJGAPAZ-INIZCTEOSA-N 2 1 363.506 0.981 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552724125 1268535658 /nfs/dbraw/zinc/53/56/58/1268535658.db2.gz YRTIFIMFQNRHFY-YOEHRIQHSA-N 2 1 363.506 0.789 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552724125 1268535663 /nfs/dbraw/zinc/53/56/63/1268535663.db2.gz YRTIFIMFQNRHFY-YOEHRIQHSA-N 2 1 363.506 0.789 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C2)CC1 ZINC001552803559 1268550932 /nfs/dbraw/zinc/55/09/32/1268550932.db2.gz COHJUANMZFZBHP-GOSISDBHSA-N 2 1 366.554 0.044 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1n1ccnn1 ZINC001552801989 1268550964 /nfs/dbraw/zinc/55/09/64/1268550964.db2.gz XBRQCNMCWNPPHD-LDBYLJPUSA-N 2 1 361.494 0.790 20 0 FCADMP Cn1cc([C@H]2[C@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976178 1268571242 /nfs/dbraw/zinc/57/12/42/1268571242.db2.gz OPOVONCGQKJUML-MAUKXSAKSA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@H]2[C@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@@H+]2C)cn1 ZINC001552976178 1268571244 /nfs/dbraw/zinc/57/12/44/1268571244.db2.gz OPOVONCGQKJUML-MAUKXSAKSA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@H]2[C@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@H+]2C)cn1 ZINC001552976178 1268571248 /nfs/dbraw/zinc/57/12/48/1268571248.db2.gz OPOVONCGQKJUML-MAUKXSAKSA-N 2 1 362.522 0.413 20 0 FCADMP C[C@H]1C[NH+](CC2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC001552995357 1268575839 /nfs/dbraw/zinc/57/58/39/1268575839.db2.gz RUTFRQNUACVAPF-IRXDYDNUSA-N 2 1 366.550 0.828 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553368925 1268639326 /nfs/dbraw/zinc/63/93/26/1268639326.db2.gz LNDMTNMUHDMPAF-YJYMSZOUSA-N 2 1 355.442 0.835 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553368925 1268639337 /nfs/dbraw/zinc/63/93/37/1268639337.db2.gz LNDMTNMUHDMPAF-YJYMSZOUSA-N 2 1 355.442 0.835 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@@H]2C1 ZINC001553392577 1268641753 /nfs/dbraw/zinc/64/17/53/1268641753.db2.gz XYTLIKYKVORFKZ-OXQOHEQNSA-N 2 1 372.469 0.639 20 0 FCADMP CN(C)C(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cc1 ZINC001553389364 1268641846 /nfs/dbraw/zinc/64/18/46/1268641846.db2.gz LDWOULWLYAGOHP-LIRRHRJNSA-N 2 1 360.458 0.633 20 0 FCADMP COCC(=O)Nc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553397052 1268642906 /nfs/dbraw/zinc/64/29/06/1268642906.db2.gz YQBSYAXXBWPLRS-HNAYVOBHSA-N 2 1 360.458 0.429 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553401354 1268644619 /nfs/dbraw/zinc/64/46/19/1268644619.db2.gz DKLKJWDIWXZGJG-RXVVDRJESA-N 2 1 370.497 0.902 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553401354 1268644627 /nfs/dbraw/zinc/64/46/27/1268644627.db2.gz DKLKJWDIWXZGJG-RXVVDRJESA-N 2 1 370.497 0.902 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553406531 1268645966 /nfs/dbraw/zinc/64/59/66/1268645966.db2.gz IJPLUUHFPXWEMM-SQNIBIBYSA-N 2 1 372.469 0.210 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424744 1268648591 /nfs/dbraw/zinc/64/85/91/1268648591.db2.gz ZUHBIDJJNZBTDA-JKSUJKDBSA-N 2 1 354.495 0.411 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553453366 1268653176 /nfs/dbraw/zinc/65/31/76/1268653176.db2.gz PNTDFWQZIMAUCD-JTDSTZFVSA-N 2 1 358.490 0.725 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001340891583 1268695540 /nfs/dbraw/zinc/69/55/40/1268695540.db2.gz ATDQHPSQDKBDFE-IBGZPJMESA-N 2 1 361.490 0.215 20 0 FCADMP C[C@H](OC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001340931169 1268715199 /nfs/dbraw/zinc/71/51/99/1268715199.db2.gz WVIOSFUDVLEGIX-DZJNRPSUSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC001341244072 1268886111 /nfs/dbraw/zinc/88/61/11/1268886111.db2.gz LCGCAWDMXXYVBS-OLMNPRSZSA-N 2 1 372.469 0.922 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)CCS(=O)(=O)N(C)C)CC2)CC1 ZINC001557073573 1268925494 /nfs/dbraw/zinc/92/54/94/1268925494.db2.gz UNERNSIXQOTCRD-UHFFFAOYSA-N 2 1 374.551 0.287 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)CCS(=O)(=O)N(C)C)CC2)CC1 ZINC001557073573 1268925505 /nfs/dbraw/zinc/92/55/05/1268925505.db2.gz UNERNSIXQOTCRD-UHFFFAOYSA-N 2 1 374.551 0.287 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)o3)CC2)C1 ZINC001341635218 1269123680 /nfs/dbraw/zinc/12/36/80/1269123680.db2.gz VVIJXOZWFVGPSJ-MRXNPFEDSA-N 2 1 361.490 0.994 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844833 1269243315 /nfs/dbraw/zinc/24/33/15/1269243315.db2.gz LOSAHYSOWCQCPF-PKOBYXMFSA-N 3 1 371.529 0.484 20 0 FCADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844833 1269243320 /nfs/dbraw/zinc/24/33/20/1269243320.db2.gz LOSAHYSOWCQCPF-PKOBYXMFSA-N 2 1 371.529 0.484 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844833 1269243327 /nfs/dbraw/zinc/24/33/27/1269243327.db2.gz LOSAHYSOWCQCPF-PKOBYXMFSA-N 2 1 371.529 0.484 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001562882501 1269354913 /nfs/dbraw/zinc/35/49/13/1269354913.db2.gz LHKWFKDPQZTPST-UHFFFAOYSA-N 2 1 351.499 0.592 20 0 FCADMP CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342449164 1269476374 /nfs/dbraw/zinc/47/63/74/1269476374.db2.gz SNUIHONJWQBJQV-FGTMMUONSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001565865849 1269498464 /nfs/dbraw/zinc/49/84/64/1269498464.db2.gz QCRDZZSLTZPIAC-BQJWPVKWSA-N 2 1 352.523 0.972 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001343013488 1269728994 /nfs/dbraw/zinc/72/89/94/1269728994.db2.gz FWWAYTXMKYUFAZ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OC ZINC001343013488 1269729002 /nfs/dbraw/zinc/72/90/02/1269729002.db2.gz FWWAYTXMKYUFAZ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OC ZINC001343013488 1269729011 /nfs/dbraw/zinc/72/90/11/1269729011.db2.gz FWWAYTXMKYUFAZ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001343014864 1269731784 /nfs/dbraw/zinc/73/17/84/1269731784.db2.gz PRXHCKAVNJTBLS-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001569470581 1269785526 /nfs/dbraw/zinc/78/55/26/1269785526.db2.gz ZXZUESAWTGUUIB-OAHLLOKOSA-N 2 1 360.462 0.799 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001569470581 1269785532 /nfs/dbraw/zinc/78/55/32/1269785532.db2.gz ZXZUESAWTGUUIB-OAHLLOKOSA-N 2 1 360.462 0.799 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001343391172 1269894363 /nfs/dbraw/zinc/89/43/63/1269894363.db2.gz DLSFTNIIFNIKFK-LJQANCHMSA-N 2 1 360.458 0.122 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001343503176 1269930307 /nfs/dbraw/zinc/93/03/07/1269930307.db2.gz XMUJOWIPOREDAL-RHSMWYFYSA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001343503176 1269930314 /nfs/dbraw/zinc/93/03/14/1269930314.db2.gz XMUJOWIPOREDAL-RHSMWYFYSA-N 2 1 359.474 0.695 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001573646986 1270847464 /nfs/dbraw/zinc/84/74/64/1270847464.db2.gz ZBUHVRDUXNHUQK-HNNXBMFYSA-N 2 1 363.510 0.558 20 0 FCADMP CC(C)[C@H](C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573976221 1270970620 /nfs/dbraw/zinc/97/06/20/1270970620.db2.gz GIQIBHNVMLYBQU-MRXNPFEDSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574256123 1271128059 /nfs/dbraw/zinc/12/80/59/1271128059.db2.gz XUHDEEDTLWUAGH-HNNXBMFYSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574260876 1271134075 /nfs/dbraw/zinc/13/40/75/1271134075.db2.gz AIZOIZITKROLJG-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574260876 1271134085 /nfs/dbraw/zinc/13/40/85/1271134085.db2.gz AIZOIZITKROLJG-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574260876 1271134089 /nfs/dbraw/zinc/13/40/89/1271134089.db2.gz AIZOIZITKROLJG-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289085 1271165320 /nfs/dbraw/zinc/16/53/20/1271165320.db2.gz VQCVHSILMPXCMJ-MRXNPFEDSA-N 2 1 372.477 0.817 20 0 FCADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574365872 1271234568 /nfs/dbraw/zinc/23/45/68/1271234568.db2.gz MTOMVWCASGISLV-UKRRQHHQSA-N 2 1 372.477 0.578 20 0 FCADMP CC(C)[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574370506 1271238864 /nfs/dbraw/zinc/23/88/64/1271238864.db2.gz GWTZHNINKQQWPO-OAHLLOKOSA-N 2 1 374.493 0.967 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595719 1271395965 /nfs/dbraw/zinc/39/59/65/1271395965.db2.gz FVVVGCCRYOPHEA-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596461 1271397516 /nfs/dbraw/zinc/39/75/16/1271397516.db2.gz KDJJNHXZOQQYTF-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596461 1271397525 /nfs/dbraw/zinc/39/75/25/1271397525.db2.gz KDJJNHXZOQQYTF-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603276 1271408073 /nfs/dbraw/zinc/40/80/73/1271408073.db2.gz BLQLWIAWAJOQAY-QWHCGFSZSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574672213 1271475788 /nfs/dbraw/zinc/47/57/88/1271475788.db2.gz UVLQRKAZESZMLX-KGLIPLIRSA-N 2 1 372.477 0.865 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873311 1271624095 /nfs/dbraw/zinc/62/40/95/1271624095.db2.gz MVIXVWOKBKSGBU-BBRMVZONSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896183 1271658651 /nfs/dbraw/zinc/65/86/51/1271658651.db2.gz BVXAPDGDLQKCSX-DZGCQCFKSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575115955 1271728501 /nfs/dbraw/zinc/72/85/01/1271728501.db2.gz UAGTXRTWGWELCV-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](O)C2CC[NH2+]CC2)C1 ZINC001575214492 1271794182 /nfs/dbraw/zinc/79/41/82/1271794182.db2.gz UXFBJZFKJUCKMM-YJBOKZPZSA-N 2 1 357.495 0.699 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419873 1272075584 /nfs/dbraw/zinc/07/55/84/1272075584.db2.gz FVWZVEUAQKSYFF-HOTGVXAUSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419873 1272075596 /nfs/dbraw/zinc/07/55/96/1272075596.db2.gz FVWZVEUAQKSYFF-HOTGVXAUSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419873 1272075610 /nfs/dbraw/zinc/07/56/10/1272075610.db2.gz FVWZVEUAQKSYFF-HOTGVXAUSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419874 1272075951 /nfs/dbraw/zinc/07/59/51/1272075951.db2.gz FVWZVEUAQKSYFF-HZPDHXFCSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419874 1272075957 /nfs/dbraw/zinc/07/59/57/1272075957.db2.gz FVWZVEUAQKSYFF-HZPDHXFCSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419874 1272075970 /nfs/dbraw/zinc/07/59/70/1272075970.db2.gz FVWZVEUAQKSYFF-HZPDHXFCSA-N 2 1 352.483 0.019 20 0 FCADMP C[C@H]([NH2+]CCc1c[nH]nn1)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689955 1272301955 /nfs/dbraw/zinc/30/19/55/1272301955.db2.gz JLTHOIPGWWSGOV-WMLDXEAASA-N 2 1 364.494 0.285 20 0 FCADMP C[C@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001575915538 1272560230 /nfs/dbraw/zinc/56/02/30/1272560230.db2.gz SAEGTZQLHYZMEK-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576144325 1272957488 /nfs/dbraw/zinc/95/74/88/1272957488.db2.gz XORQLGFZFCICIC-HUUCEWRRSA-N 2 1 374.493 0.103 20 0 FCADMP C[C@@H]([NH3+])c1nc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cs1 ZINC001576176918 1272979190 /nfs/dbraw/zinc/97/91/90/1272979190.db2.gz FJTOHOXDIIBLMF-ZWNOBZJWSA-N 2 1 351.476 0.717 20 0 FCADMP C[C@@H]([NH3+])c1nc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cs1 ZINC001576176918 1272979196 /nfs/dbraw/zinc/97/91/96/1272979196.db2.gz FJTOHOXDIIBLMF-ZWNOBZJWSA-N 2 1 351.476 0.717 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254733 1273036198 /nfs/dbraw/zinc/03/61/98/1273036198.db2.gz FAYGTZQGAPOZGW-UONOGXRCSA-N 2 1 372.477 0.530 20 0 FCADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001576257476 1273041658 /nfs/dbraw/zinc/04/16/58/1273041658.db2.gz AYPFJCXCMAKVAI-DYVFJYSZSA-N 2 1 358.483 0.049 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576478214 1273316948 /nfs/dbraw/zinc/31/69/48/1273316948.db2.gz QRLNFJVBFTUKHL-UHFFFAOYSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715116 1273585697 /nfs/dbraw/zinc/58/56/97/1273585697.db2.gz SFFDZYRYDGYZMK-QLFBSQMISA-N 2 1 361.494 0.512 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788744 1273682957 /nfs/dbraw/zinc/68/29/57/1273682957.db2.gz CPKDEABZROZHAE-GDBMZVCRSA-N 2 1 357.462 0.945 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792456 1273692960 /nfs/dbraw/zinc/69/29/60/1273692960.db2.gz VFLQTVQNDLROBD-XJKSGUPXSA-N 2 1 372.477 0.783 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576827608 1273753178 /nfs/dbraw/zinc/75/31/78/1273753178.db2.gz SCJWGBALEVOSKG-VYDXJSESSA-N 2 1 371.489 0.844 20 0 FCADMP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001576839703 1273775294 /nfs/dbraw/zinc/77/52/94/1273775294.db2.gz UBLILBYDOLZBKD-CVEARBPZSA-N 2 1 350.467 0.386 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C)C(=O)C1 ZINC001576994596 1274025794 /nfs/dbraw/zinc/02/57/94/1274025794.db2.gz GEFDPMLGTMAPJY-GJZGRUSLSA-N 2 1 363.510 0.711 20 0 FCADMP CC[C@@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577149732 1274200660 /nfs/dbraw/zinc/20/06/60/1274200660.db2.gz YRZUYSQSXLZHIK-QLFBSQMISA-N 2 1 350.467 0.388 20 0 FCADMP CC[C@@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577149732 1274200670 /nfs/dbraw/zinc/20/06/70/1274200670.db2.gz YRZUYSQSXLZHIK-QLFBSQMISA-N 2 1 350.467 0.388 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CCc1c[nH]nn1 ZINC001577148701 1274200692 /nfs/dbraw/zinc/20/06/92/1274200692.db2.gz DMFVLSJZQADKDY-GDBMZVCRSA-N 2 1 364.494 0.142 20 0 FCADMP CC[C@@H]1CN(c2nnc(CC3CC3)n2CC[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC001577294838 1274310505 /nfs/dbraw/zinc/31/05/05/1274310505.db2.gz FGKLHWHVVZMXPP-SJORKVTESA-N 2 1 362.522 0.997 20 0 FCADMP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@H]1[NH3+] ZINC001577296454 1274313094 /nfs/dbraw/zinc/31/30/94/1274313094.db2.gz PFWIQODYGQNWIP-GPMSIDNRSA-N 2 1 362.522 0.861 20 0 FCADMP CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577445433 1274411350 /nfs/dbraw/zinc/41/13/50/1274411350.db2.gz SMCYVEWJCTUDQE-OAHLLOKOSA-N 2 1 363.510 0.783 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001577542381 1274482702 /nfs/dbraw/zinc/48/27/02/1274482702.db2.gz URLRIDFUUJNMTF-CABCVRRESA-N 2 1 351.495 0.228 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577548009 1274487327 /nfs/dbraw/zinc/48/73/27/1274487327.db2.gz ZHHJHANOTDLQDC-INIZCTEOSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550753 1274490429 /nfs/dbraw/zinc/49/04/29/1274490429.db2.gz NBEKFKNFVKZOFU-SFHVURJKSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577551775 1274491772 /nfs/dbraw/zinc/49/17/72/1274491772.db2.gz UXJVUCMIKOOBLA-ZIAGYGMSSA-N 2 1 372.477 0.532 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577555391 1274496488 /nfs/dbraw/zinc/49/64/88/1274496488.db2.gz ZDDCFYGHMMZQAS-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577554509 1274496498 /nfs/dbraw/zinc/49/64/98/1274496498.db2.gz SPYYVIAZAWDSMA-KGLIPLIRSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577559166 1274504462 /nfs/dbraw/zinc/50/44/62/1274504462.db2.gz STYVMIZMLKHFTC-SFHVURJKSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577560380 1274508152 /nfs/dbraw/zinc/50/81/52/1274508152.db2.gz DDYPNWGXNAVGNI-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565316 1274520797 /nfs/dbraw/zinc/52/07/97/1274520797.db2.gz ONHLLQAZRVYWOY-CQSZACIVSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577567674 1274523688 /nfs/dbraw/zinc/52/36/88/1274523688.db2.gz GUILUEWVPJTZLF-CQSZACIVSA-N 2 1 374.493 0.983 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577568410 1274527838 /nfs/dbraw/zinc/52/78/38/1274527838.db2.gz QPNWYWXJJAPFBQ-HALDLXJZSA-N 2 1 370.461 0.463 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577568078 1274528689 /nfs/dbraw/zinc/52/86/89/1274528689.db2.gz MEQYFKYAMNZILW-KBPBESRZSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577571028 1274533716 /nfs/dbraw/zinc/53/37/16/1274533716.db2.gz QLHJWSVHEUBVHF-KBPBESRZSA-N 2 1 370.461 0.783 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577571028 1274533722 /nfs/dbraw/zinc/53/37/22/1274533722.db2.gz QLHJWSVHEUBVHF-KBPBESRZSA-N 2 1 370.461 0.783 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576133 1274543379 /nfs/dbraw/zinc/54/33/79/1274543379.db2.gz QHVFFKFYQZTODJ-OKILXGFUSA-N 2 1 372.477 0.783 20 0 FCADMP CCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577595258 1274561742 /nfs/dbraw/zinc/56/17/42/1274561742.db2.gz WFRUSEOQJGDCBN-OAHLLOKOSA-N 2 1 372.477 0.997 20 0 FCADMP CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577633733 1274620605 /nfs/dbraw/zinc/62/06/05/1274620605.db2.gz IEKOZMXUQNCPDY-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665009 1274681773 /nfs/dbraw/zinc/68/17/73/1274681773.db2.gz LBYREARZQIUKGH-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665205 1274683397 /nfs/dbraw/zinc/68/33/97/1274683397.db2.gz NHPJXTFTBBYFDZ-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC001577731418 1274807637 /nfs/dbraw/zinc/80/76/37/1274807637.db2.gz PTNQBOKJFJJWAI-CABCVRRESA-N 2 1 365.526 0.930 20 0 FCADMP CCN1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760585 1274843347 /nfs/dbraw/zinc/84/33/47/1274843347.db2.gz YKMOBTSPVLBDKF-SOUVJXGZSA-N 2 1 351.451 0.047 20 0 FCADMP CCN1C[C@H](C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760585 1274843355 /nfs/dbraw/zinc/84/33/55/1274843355.db2.gz YKMOBTSPVLBDKF-SOUVJXGZSA-N 2 1 351.451 0.047 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849270 1274983717 /nfs/dbraw/zinc/98/37/17/1274983717.db2.gz IGCBDQQHYKLCLQ-UHFFFAOYSA-N 2 1 372.477 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577855557 1275005392 /nfs/dbraw/zinc/00/53/92/1275005392.db2.gz JDSYBAMXGZWVPT-AWEZNQCLSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577856377 1275011570 /nfs/dbraw/zinc/01/15/70/1275011570.db2.gz XQCFCENQUUOFIA-HIFRSBDPSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001577859343 1275017114 /nfs/dbraw/zinc/01/71/14/1275017114.db2.gz CSOSTHAJXFKTFZ-OKILXGFUSA-N 2 1 370.461 0.498 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577862510 1275027154 /nfs/dbraw/zinc/02/71/54/1275027154.db2.gz DJSXKBAGJQFEPS-LBPRGKRZSA-N 2 1 360.466 0.498 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863719 1275036675 /nfs/dbraw/zinc/03/66/75/1275036675.db2.gz YZNXBBCQTMKBTK-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863719 1275036685 /nfs/dbraw/zinc/03/66/85/1275036685.db2.gz YZNXBBCQTMKBTK-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863719 1275036694 /nfs/dbraw/zinc/03/66/94/1275036694.db2.gz YZNXBBCQTMKBTK-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP CC[N@H+](C)CCC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577869613 1275055794 /nfs/dbraw/zinc/05/57/94/1275055794.db2.gz JONSLQWSKCNMTI-UHFFFAOYSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577869613 1275055801 /nfs/dbraw/zinc/05/58/01/1275055801.db2.gz JONSLQWSKCNMTI-UHFFFAOYSA-N 2 1 358.450 0.689 20 0 FCADMP CCN(CCNC(=O)CC[N@@H+](C)CC)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577869593 1275056487 /nfs/dbraw/zinc/05/64/87/1275056487.db2.gz IJIOYEPQOAZZKH-UHFFFAOYSA-N 2 1 360.466 0.854 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577872106 1275061632 /nfs/dbraw/zinc/06/16/32/1275061632.db2.gz VLSONUAGBVVEHP-WKILWMFISA-N 2 1 357.462 0.945 20 0 FCADMP O=C(N[C@@H](C[NH2+]CCc1c[nH]nn1)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001577974529 1275199469 /nfs/dbraw/zinc/19/94/69/1275199469.db2.gz IJFGXZAEAICAHN-ROUUACIJSA-N 2 1 360.506 0.954 20 0 FCADMP CCOC(=O)c1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)on1 ZINC001578054116 1275347175 /nfs/dbraw/zinc/34/71/75/1275347175.db2.gz UBODYLJSBBBWIP-GFCCVEGCSA-N 2 1 350.341 0.777 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001578109802 1275412328 /nfs/dbraw/zinc/41/23/28/1275412328.db2.gz IRXRLBPBBHCINP-ZIAGYGMSSA-N 2 1 372.477 0.593 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001578136176 1275435344 /nfs/dbraw/zinc/43/53/44/1275435344.db2.gz NQLUUVQRVJFBCW-ZDUSSCGKSA-N 2 1 358.450 0.286 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[C@@H]1CC[NH2+]C1 ZINC001578142196 1275441754 /nfs/dbraw/zinc/44/17/54/1275441754.db2.gz OEBMKBDYGKFTRB-JKSUJKDBSA-N 2 1 364.494 0.335 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[C@@H]1CC[NH2+]C1 ZINC001578142196 1275441759 /nfs/dbraw/zinc/44/17/59/1275441759.db2.gz OEBMKBDYGKFTRB-JKSUJKDBSA-N 2 1 364.494 0.335 20 0 FCADMP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001578144882 1275444920 /nfs/dbraw/zinc/44/49/20/1275444920.db2.gz SHBBTWAEEJQFMM-OWCLPIDISA-N 2 1 366.510 0.851 20 0 FCADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578305860 1275640246 /nfs/dbraw/zinc/64/02/46/1275640246.db2.gz QBQQYNDRTDIDCT-HRCADAONSA-N 2 1 350.511 0.853 20 0 FCADMP CCc1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001578305305 1275640275 /nfs/dbraw/zinc/64/02/75/1275640275.db2.gz LHDUFWSZEHFCTA-JYJNAYRXSA-N 2 1 350.511 0.981 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001578400055 1275773976 /nfs/dbraw/zinc/77/39/76/1275773976.db2.gz PIJGKPAEKDTCIG-XYPWUTKMSA-N 2 1 351.495 0.463 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001578417020 1275785551 /nfs/dbraw/zinc/78/55/51/1275785551.db2.gz LNCSQBPUAGIMQJ-OAHLLOKOSA-N 2 1 351.499 0.158 20 0 FCADMP CN(CCCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)CC[NH+](C)C ZINC001578417020 1275785554 /nfs/dbraw/zinc/78/55/54/1275785554.db2.gz LNCSQBPUAGIMQJ-OAHLLOKOSA-N 2 1 351.499 0.158 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578444455 1275833242 /nfs/dbraw/zinc/83/32/42/1275833242.db2.gz SCUMMFNAFZBJPM-DVOMOZLQSA-N 2 1 372.477 0.673 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578458613 1275861552 /nfs/dbraw/zinc/86/15/52/1275861552.db2.gz ZODDDFCMRIHRTA-UONOGXRCSA-N 2 1 358.450 0.687 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CCN2CC[NH2+]CC2)C1 ZINC001578536523 1275965142 /nfs/dbraw/zinc/96/51/42/1275965142.db2.gz XSVYXJHKRWCTOB-LJQANCHMSA-N 2 1 359.518 0.214 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CCN2CC[NH2+]CC2)C1 ZINC001578536523 1275965150 /nfs/dbraw/zinc/96/51/50/1275965150.db2.gz XSVYXJHKRWCTOB-LJQANCHMSA-N 2 1 359.518 0.214 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)CC1 ZINC001578533560 1275965411 /nfs/dbraw/zinc/96/54/11/1275965411.db2.gz NFHWXXWURHHIIY-MSOLQXFVSA-N 2 1 358.486 0.612 20 0 FCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578663923 1276114708 /nfs/dbraw/zinc/11/47/08/1276114708.db2.gz LBXBRTWYGTUJJE-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578669247 1276122333 /nfs/dbraw/zinc/12/23/33/1276122333.db2.gz KTYKCAYFUKKLOX-LSDHHAIUSA-N 2 1 372.477 0.480 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578671316 1276123707 /nfs/dbraw/zinc/12/37/07/1276123707.db2.gz INTDTZDCLGZLSU-MAUKXSAKSA-N 2 1 350.511 0.589 20 0 FCADMP C[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578731729 1276207380 /nfs/dbraw/zinc/20/73/80/1276207380.db2.gz UGVZAERAZOISEO-MRXNPFEDSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578731729 1276207388 /nfs/dbraw/zinc/20/73/88/1276207388.db2.gz UGVZAERAZOISEO-MRXNPFEDSA-N 2 1 357.462 0.004 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC001578855160 1276378001 /nfs/dbraw/zinc/37/80/01/1276378001.db2.gz BIEFCMDCMQFPAT-TZMCWYRMSA-N 2 1 350.419 0.541 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC001578855160 1276378007 /nfs/dbraw/zinc/37/80/07/1276378007.db2.gz BIEFCMDCMQFPAT-TZMCWYRMSA-N 2 1 350.419 0.541 20 0 FCADMP CO[C@H]1C[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936586 1276478989 /nfs/dbraw/zinc/47/89/89/1276478989.db2.gz WCXFPLTUPUVXHU-IRXDYDNUSA-N 2 1 359.474 0.313 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578972407 1276517612 /nfs/dbraw/zinc/51/76/12/1276517612.db2.gz PPKYCLWFIHQBLI-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578972407 1276517615 /nfs/dbraw/zinc/51/76/15/1276517615.db2.gz PPKYCLWFIHQBLI-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP COC[C@@]1(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]CCO1 ZINC001578975860 1276526235 /nfs/dbraw/zinc/52/62/35/1276526235.db2.gz WSJAFOCIWGKOFA-MAUKXSAKSA-N 2 1 351.447 0.928 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578975741 1276526633 /nfs/dbraw/zinc/52/66/33/1276526633.db2.gz GGYOEXWHMDJSHF-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578975743 1276526750 /nfs/dbraw/zinc/52/67/50/1276526750.db2.gz GIBAUZDAVABEDE-SFHVURJKSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578980109 1276539131 /nfs/dbraw/zinc/53/91/31/1276539131.db2.gz AJYVPLHVOUSVQQ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578979281 1276539350 /nfs/dbraw/zinc/53/93/50/1276539350.db2.gz YTSSPYZFAACTHL-AWEZNQCLSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578979281 1276539352 /nfs/dbraw/zinc/53/93/52/1276539352.db2.gz YTSSPYZFAACTHL-AWEZNQCLSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578987578 1276557817 /nfs/dbraw/zinc/55/78/17/1276557817.db2.gz JVGHHSPWIMTBTG-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP COCCC1(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC001579009103 1276583953 /nfs/dbraw/zinc/58/39/53/1276583953.db2.gz ATHHXWWLLAKVMC-UHFFFAOYSA-N 2 1 355.527 0.470 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CC1=O ZINC001579020671 1276599785 /nfs/dbraw/zinc/59/97/85/1276599785.db2.gz HNHOKXLFNHWHAV-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001579022508 1276602026 /nfs/dbraw/zinc/60/20/26/1276602026.db2.gz YAWUZKCGXZSZST-ZBFHGGJFSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH3+])CC1 ZINC001579039564 1276627914 /nfs/dbraw/zinc/62/79/14/1276627914.db2.gz UTRLHTUHERMLDS-UHFFFAOYSA-N 2 1 359.478 0.846 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170010 1276923519 /nfs/dbraw/zinc/92/35/19/1276923519.db2.gz WUOMOQZJGDTMQO-HNNXBMFYSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170010 1276923525 /nfs/dbraw/zinc/92/35/25/1276923525.db2.gz WUOMOQZJGDTMQO-HNNXBMFYSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170010 1276923544 /nfs/dbraw/zinc/92/35/44/1276923544.db2.gz WUOMOQZJGDTMQO-HNNXBMFYSA-N 2 1 361.425 0.648 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323103 1277140485 /nfs/dbraw/zinc/14/04/85/1277140485.db2.gz PPVAWOOUGATEDT-GTPINHCMSA-N 2 1 369.473 0.897 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326008 1277149260 /nfs/dbraw/zinc/14/92/60/1277149260.db2.gz HNTVXXMNYVFKPN-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327897 1277155861 /nfs/dbraw/zinc/15/58/61/1277155861.db2.gz YKFFTTQOYOVANM-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331696 1277162650 /nfs/dbraw/zinc/16/26/50/1277162650.db2.gz GQVIJXQYSPAGBY-SWLSCSKDSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331696 1277162653 /nfs/dbraw/zinc/16/26/53/1277162653.db2.gz GQVIJXQYSPAGBY-SWLSCSKDSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334172 1277170117 /nfs/dbraw/zinc/17/01/17/1277170117.db2.gz UWSWUCXHNGKALH-DZGCQCFKSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334172 1277170119 /nfs/dbraw/zinc/17/01/19/1277170119.db2.gz UWSWUCXHNGKALH-DZGCQCFKSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334172 1277170122 /nfs/dbraw/zinc/17/01/22/1277170122.db2.gz UWSWUCXHNGKALH-DZGCQCFKSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334172 1277170125 /nfs/dbraw/zinc/17/01/25/1277170125.db2.gz UWSWUCXHNGKALH-DZGCQCFKSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334880 1277173674 /nfs/dbraw/zinc/17/36/74/1277173674.db2.gz ITRDDQZETXOMBE-KGLIPLIRSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334866 1277173697 /nfs/dbraw/zinc/17/36/97/1277173697.db2.gz IPEQPHFNXHCFGC-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334866 1277173702 /nfs/dbraw/zinc/17/37/02/1277173702.db2.gz IPEQPHFNXHCFGC-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334866 1277173704 /nfs/dbraw/zinc/17/37/04/1277173704.db2.gz IPEQPHFNXHCFGC-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334866 1277173707 /nfs/dbraw/zinc/17/37/07/1277173707.db2.gz IPEQPHFNXHCFGC-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339436 1277183678 /nfs/dbraw/zinc/18/36/78/1277183678.db2.gz IERCHQKGRSVEOR-XIRDDKMYSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341564 1277189361 /nfs/dbraw/zinc/18/93/61/1277189361.db2.gz OXZAZMBWWHXAQL-ZDUSSCGKSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341874 1277190891 /nfs/dbraw/zinc/19/08/91/1277190891.db2.gz XJMKGMGENBDKJG-KBPBESRZSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346535 1277198465 /nfs/dbraw/zinc/19/84/65/1277198465.db2.gz RJTCDBOIQNBYQF-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346535 1277198469 /nfs/dbraw/zinc/19/84/69/1277198469.db2.gz RJTCDBOIQNBYQF-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346535 1277198470 /nfs/dbraw/zinc/19/84/70/1277198470.db2.gz RJTCDBOIQNBYQF-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579347272 1277201560 /nfs/dbraw/zinc/20/15/60/1277201560.db2.gz ZYHIVCYGYPWDGY-LBPRGKRZSA-N 2 1 356.434 0.086 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347962 1277203901 /nfs/dbraw/zinc/20/39/01/1277203901.db2.gz RHLWNXPBLYSYNB-QWHCGFSZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347962 1277203907 /nfs/dbraw/zinc/20/39/07/1277203907.db2.gz RHLWNXPBLYSYNB-QWHCGFSZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353125 1277209273 /nfs/dbraw/zinc/20/92/73/1277209273.db2.gz DWCZXHNDIPJZJV-XJKSGUPXSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351630 1277209412 /nfs/dbraw/zinc/20/94/12/1277209412.db2.gz UMXXJSWRVLMZMV-QZTJIDSGSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351630 1277209413 /nfs/dbraw/zinc/20/94/13/1277209413.db2.gz UMXXJSWRVLMZMV-QZTJIDSGSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355259 1277218816 /nfs/dbraw/zinc/21/88/16/1277218816.db2.gz DMTDWZDUTZFMRO-HOCLYGCPSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358158 1277226730 /nfs/dbraw/zinc/22/67/30/1277226730.db2.gz AIPBTERHHSREHM-SJORKVTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358687 1277226917 /nfs/dbraw/zinc/22/69/17/1277226917.db2.gz IEMWVHRBFZWAAX-IRXDYDNUSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001579358364 1277226983 /nfs/dbraw/zinc/22/69/83/1277226983.db2.gz CNHYHILRXDZEOO-HNNXBMFYSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579360481 1277237027 /nfs/dbraw/zinc/23/70/27/1277237027.db2.gz JLMIZGDOSYSERQ-LXZKKBNFSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362128 1277238264 /nfs/dbraw/zinc/23/82/64/1277238264.db2.gz QEHRHHDPQHNOFV-SFDCQRBFSA-N 2 1 373.486 0.569 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362128 1277238266 /nfs/dbraw/zinc/23/82/66/1277238266.db2.gz QEHRHHDPQHNOFV-SFDCQRBFSA-N 2 1 373.486 0.569 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362128 1277238324 /nfs/dbraw/zinc/23/83/24/1277238324.db2.gz QEHRHHDPQHNOFV-SFDCQRBFSA-N 2 1 373.486 0.569 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579363204 1277242196 /nfs/dbraw/zinc/24/21/96/1277242196.db2.gz XXRDTLXPRRGNJT-UAGQMJEPSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372018 1277253431 /nfs/dbraw/zinc/25/34/31/1277253431.db2.gz QZZYJAMIDOLKKQ-QAPCUYQASA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372119 1277253455 /nfs/dbraw/zinc/25/34/55/1277253455.db2.gz KAGKJCKZWUSQAM-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372119 1277253457 /nfs/dbraw/zinc/25/34/57/1277253457.db2.gz KAGKJCKZWUSQAM-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579372119 1277253458 /nfs/dbraw/zinc/25/34/58/1277253458.db2.gz KAGKJCKZWUSQAM-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001579397287 1277281154 /nfs/dbraw/zinc/28/11/54/1277281154.db2.gz PQMAUMGBQXXNIX-YNEHKIRRSA-N 3 1 353.433 0.789 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001579397287 1277281161 /nfs/dbraw/zinc/28/11/61/1277281161.db2.gz PQMAUMGBQXXNIX-YNEHKIRRSA-N 3 1 353.433 0.789 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001579406434 1277288832 /nfs/dbraw/zinc/28/88/32/1277288832.db2.gz MDOZUDORHHFWIE-BZUAXINKSA-N 2 1 364.494 0.430 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001579735695 1277847339 /nfs/dbraw/zinc/84/73/39/1277847339.db2.gz ZJWCILQTPQANQV-CHWSQXEVSA-N 2 1 354.476 0.498 20 0 FCADMP Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579883716 1277948569 /nfs/dbraw/zinc/94/85/69/1277948569.db2.gz YKRFZBXWNFQENE-CQSZACIVSA-N 2 1 353.434 0.868 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001579883191 1277949144 /nfs/dbraw/zinc/94/91/44/1277949144.db2.gz KZFADGIAPXFTEQ-QLFBSQMISA-N 2 1 354.476 0.063 20 0 FCADMP Cc1[nH+]ccn1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579883473 1277949152 /nfs/dbraw/zinc/94/91/52/1277949152.db2.gz UNOZTEITJHTREO-AWEZNQCLSA-N 2 1 358.450 0.257 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580007013 1277988386 /nfs/dbraw/zinc/98/83/86/1277988386.db2.gz RGKHNKGNBWZUSM-AWEZNQCLSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580007013 1277988390 /nfs/dbraw/zinc/98/83/90/1277988390.db2.gz RGKHNKGNBWZUSM-AWEZNQCLSA-N 2 1 373.461 0.518 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC001580018202 1277991772 /nfs/dbraw/zinc/99/17/72/1277991772.db2.gz DBXRGIFKIUOMEK-TUVASFSCSA-N 2 1 351.413 0.996 20 0 FCADMP CC(C)([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001603158195 1287316737 /nfs/dbraw/zinc/31/67/37/1287316737.db2.gz UTLKEXONVQABSJ-UHFFFAOYSA-N 2 1 372.477 0.821 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)cc2)C1 ZINC001580089152 1278003861 /nfs/dbraw/zinc/00/38/61/1278003861.db2.gz LWGZHQFQNSLICM-TWOQFEAHSA-N 2 1 372.469 0.701 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001580098113 1278006570 /nfs/dbraw/zinc/00/65/70/1278006570.db2.gz IEYGKAKSELNJAX-XHSDSOJGSA-N 2 1 351.495 0.357 20 0 FCADMP Cc1cc(N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949438 1279155222 /nfs/dbraw/zinc/15/52/22/1279155222.db2.gz ZXBDEYXLCDWDHE-CYBMUJFWSA-N 2 1 358.450 0.464 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992954 1279198121 /nfs/dbraw/zinc/19/81/21/1279198121.db2.gz BWXJYLSYNWRCJI-CYBMUJFWSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006306 1279224658 /nfs/dbraw/zinc/22/46/58/1279224658.db2.gz OPVWKVNKIMJKGN-DZGCQCFKSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012851 1279239870 /nfs/dbraw/zinc/23/98/70/1279239870.db2.gz CFPROHNPEKBTLE-ZIAGYGMSSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024577 1279256776 /nfs/dbraw/zinc/25/67/76/1279256776.db2.gz JASLTBVXDOOOQC-MLGOLLRUSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(NCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027721 1279260779 /nfs/dbraw/zinc/26/07/79/1279260779.db2.gz VWZZQHCZNSFQMX-OCCSQVGLSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027228 1279261714 /nfs/dbraw/zinc/26/17/14/1279261714.db2.gz NNHCVHCVUSXCDN-OAHLLOKOSA-N 2 1 358.450 0.347 20 0 FCADMP Cc1cc(NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027083 1279261840 /nfs/dbraw/zinc/26/18/40/1279261840.db2.gz LKVQSCVGVMPUPI-CYBMUJFWSA-N 2 1 358.450 0.204 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001603318284 1287352710 /nfs/dbraw/zinc/35/27/10/1287352710.db2.gz CEQJLBDMYQVBQL-UHFFFAOYSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318263 1287352871 /nfs/dbraw/zinc/35/28/71/1287352871.db2.gz BPCFRHYVHBPNQE-UHFFFAOYSA-N 2 1 358.450 0.331 20 0 FCADMP COCc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001716087384 1287370276 /nfs/dbraw/zinc/37/02/76/1287370276.db2.gz FQHIUGDQCJDDON-KWCYVHTRSA-N 2 1 356.492 0.196 20 0 FCADMP COCc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001716087384 1287370277 /nfs/dbraw/zinc/37/02/77/1287370277.db2.gz FQHIUGDQCJDDON-KWCYVHTRSA-N 2 1 356.492 0.196 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001603477137 1287384553 /nfs/dbraw/zinc/38/45/53/1287384553.db2.gz ZBPHMFLUIZZLLC-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001716731870 1287388525 /nfs/dbraw/zinc/38/85/25/1287388525.db2.gz QBHFZQNNTMLBIJ-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001716731870 1287388528 /nfs/dbraw/zinc/38/85/28/1287388528.db2.gz QBHFZQNNTMLBIJ-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001716731870 1287388531 /nfs/dbraw/zinc/38/85/31/1287388531.db2.gz QBHFZQNNTMLBIJ-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581564374 1280142549 /nfs/dbraw/zinc/14/25/49/1280142549.db2.gz YQXIKZTXXUCSDG-ZDUSSCGKSA-N 2 1 368.445 0.914 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581565483 1280145597 /nfs/dbraw/zinc/14/55/97/1280145597.db2.gz UFQVVDPGQOVWCF-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581565456 1280145851 /nfs/dbraw/zinc/14/58/51/1280145851.db2.gz RVOPKIRQLHSHJN-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581565545 1280146909 /nfs/dbraw/zinc/14/69/09/1280146909.db2.gz YFHSZIHZVKHMNN-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581820002 1280565171 /nfs/dbraw/zinc/56/51/71/1280565171.db2.gz FLZHHUWYDOOEMO-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001581820002 1280565174 /nfs/dbraw/zinc/56/51/74/1280565174.db2.gz FLZHHUWYDOOEMO-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001581820002 1280565180 /nfs/dbraw/zinc/56/51/80/1280565180.db2.gz FLZHHUWYDOOEMO-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581820001 1280566039 /nfs/dbraw/zinc/56/60/39/1280566039.db2.gz FLZHHUWYDOOEMO-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001581820001 1280566053 /nfs/dbraw/zinc/56/60/53/1280566053.db2.gz FLZHHUWYDOOEMO-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001581820001 1280566065 /nfs/dbraw/zinc/56/60/65/1280566065.db2.gz FLZHHUWYDOOEMO-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603598553 1287432418 /nfs/dbraw/zinc/43/24/18/1287432418.db2.gz IUUGQQGEDLOVDO-IUIKQTSFSA-N 2 1 355.446 0.782 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582099309 1281055976 /nfs/dbraw/zinc/05/59/76/1281055976.db2.gz OHSMLDMMCPFTGS-HNNXBMFYSA-N 2 1 355.446 0.653 20 0 FCADMP O=C(N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001582319483 1281336853 /nfs/dbraw/zinc/33/68/53/1281336853.db2.gz CMRYRQMFRNTXGJ-ZDUSSCGKSA-N 2 1 368.445 0.585 20 0 FCADMP O=C(NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C12CC[NH+](CC1)C2 ZINC001582515180 1281697436 /nfs/dbraw/zinc/69/74/36/1281697436.db2.gz GBOYMHJQJJKBAH-UHFFFAOYSA-N 2 1 368.445 0.443 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001585001779 1282191594 /nfs/dbraw/zinc/19/15/94/1282191594.db2.gz JMFOYEWICPALLG-KFWWJZLASA-N 2 1 356.486 0.772 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[C@@H]1[NH3+] ZINC001604107695 1287571047 /nfs/dbraw/zinc/57/10/47/1287571047.db2.gz JDMAVRXAGHXTNJ-RLCCDNCMSA-N 2 1 355.446 0.639 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001589017954 1282770319 /nfs/dbraw/zinc/77/03/19/1282770319.db2.gz OJOJPAQCNOPQAZ-ZDUSSCGKSA-N 2 1 373.461 0.582 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001604270338 1287596937 /nfs/dbraw/zinc/59/69/37/1287596937.db2.gz BQVHDZHBFKAELN-KBPBESRZSA-N 2 1 372.477 0.735 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589630194 1282920261 /nfs/dbraw/zinc/92/02/61/1282920261.db2.gz PEJCDQRUXJYZLW-MRXNPFEDSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000740 1282987363 /nfs/dbraw/zinc/98/73/63/1282987363.db2.gz RBGVQOQHPDRXPC-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001642000740 1282987375 /nfs/dbraw/zinc/98/73/75/1282987375.db2.gz RBGVQOQHPDRXPC-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001642000740 1282987388 /nfs/dbraw/zinc/98/73/88/1282987388.db2.gz RBGVQOQHPDRXPC-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@H]1C[NH3+] ZINC001590264032 1283387898 /nfs/dbraw/zinc/38/78/98/1283387898.db2.gz PTKNZDMVNOKSFG-DJSGYFEHSA-N 2 1 355.446 0.497 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271264 1283397613 /nfs/dbraw/zinc/39/76/13/1283397613.db2.gz YSTCJPXHDDSQEX-FAAWYNLUSA-N 2 1 369.473 0.971 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001680808654 1283445716 /nfs/dbraw/zinc/44/57/16/1283445716.db2.gz YJNWPHYKGCAUQG-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001590677541 1283725710 /nfs/dbraw/zinc/72/57/10/1283725710.db2.gz ONGLHHUEWBLCEV-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678745 1283728090 /nfs/dbraw/zinc/72/80/90/1283728090.db2.gz ZPDCHQXICPWZTE-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678745 1283728099 /nfs/dbraw/zinc/72/80/99/1283728099.db2.gz ZPDCHQXICPWZTE-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678745 1283728108 /nfs/dbraw/zinc/72/81/08/1283728108.db2.gz ZPDCHQXICPWZTE-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678745 1283728115 /nfs/dbraw/zinc/72/81/15/1283728115.db2.gz ZPDCHQXICPWZTE-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733023 1283767039 /nfs/dbraw/zinc/76/70/39/1283767039.db2.gz KKYVRWKMHHAMIR-DWTRPJMMSA-N 2 1 370.461 0.642 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590737557 1283779695 /nfs/dbraw/zinc/77/96/95/1283779695.db2.gz ZXWQMJZMCXMRPN-MRXNPFEDSA-N 2 1 373.461 0.183 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590737557 1283779701 /nfs/dbraw/zinc/77/97/01/1283779701.db2.gz ZXWQMJZMCXMRPN-MRXNPFEDSA-N 2 1 373.461 0.183 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001683750936 1284104280 /nfs/dbraw/zinc/10/42/80/1284104280.db2.gz DRYNPDPKIZSVBF-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001591175018 1284262991 /nfs/dbraw/zinc/26/29/91/1284262991.db2.gz LMEOSLYFFVMEPK-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001591175018 1284262996 /nfs/dbraw/zinc/26/29/96/1284262996.db2.gz LMEOSLYFFVMEPK-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175331 1284267087 /nfs/dbraw/zinc/26/70/87/1284267087.db2.gz LOOKPUWGVVKOMV-MBVDDHJVSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176720 1284270464 /nfs/dbraw/zinc/27/04/64/1284270464.db2.gz UCQCEAGGSAQTKG-MBVDDHJVSA-N 2 1 369.473 0.971 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176723 1284271633 /nfs/dbraw/zinc/27/16/33/1284271633.db2.gz UCQCEAGGSAQTKG-XVWMLYKFSA-N 2 1 369.473 0.971 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178595 1284277335 /nfs/dbraw/zinc/27/73/35/1284277335.db2.gz WTDLGEKMXUTHAT-MELADBBJSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[NH+](C)C1 ZINC001591184813 1284293080 /nfs/dbraw/zinc/29/30/80/1284293080.db2.gz PMHPVOWYDCNYDW-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[N@H+](C)C1 ZINC001591184813 1284293086 /nfs/dbraw/zinc/29/30/86/1284293086.db2.gz PMHPVOWYDCNYDW-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001591184813 1284293097 /nfs/dbraw/zinc/29/30/97/1284293097.db2.gz PMHPVOWYDCNYDW-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP COc1ccc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)cc1-c1nn[nH]n1 ZINC001591599965 1284763787 /nfs/dbraw/zinc/76/37/87/1284763787.db2.gz XCMQIXHJMGYASF-UHFFFAOYSA-N 2 1 370.417 0.286 20 0 FCADMP Cc1cc(N2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001565 1285051329 /nfs/dbraw/zinc/05/13/29/1285051329.db2.gz CHIMTUNUJTYFIY-DZGCQCFKSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001567 1285051603 /nfs/dbraw/zinc/05/16/03/1285051603.db2.gz CHIMTUNUJTYFIY-UKRRQHHQSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049518 1285094218 /nfs/dbraw/zinc/09/42/18/1285094218.db2.gz XUJRLRSOOZCJSC-ZDUSSCGKSA-N 2 1 358.450 0.395 20 0 FCADMP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001604849408 1287798724 /nfs/dbraw/zinc/79/87/24/1287798724.db2.gz LRTGGHCCSCDCQU-CYBMUJFWSA-N 2 1 358.450 0.286 20 0 FCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001592741450 1285659402 /nfs/dbraw/zinc/65/94/02/1285659402.db2.gz SKGAPCXQBQRPJF-UYTSQGDYSA-N 2 1 358.446 0.951 20 0 FCADMP [NH3+]CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592744021 1285662065 /nfs/dbraw/zinc/66/20/65/1285662065.db2.gz JPOIMYAPNPNXLS-UHFFFAOYSA-N 2 1 372.477 0.823 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994647 1285877259 /nfs/dbraw/zinc/87/72/59/1285877259.db2.gz FELFOEZQMRMMDJ-HZPDHXFCSA-N 2 1 367.457 0.844 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593070944 1285963495 /nfs/dbraw/zinc/96/34/95/1285963495.db2.gz FVWAJWXCPSHTTI-INIZCTEOSA-N 2 1 355.446 0.656 20 0 FCADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505704 1286185172 /nfs/dbraw/zinc/18/51/72/1286185172.db2.gz PBGYOVYAAPDFMB-DZGCQCFKSA-N 2 1 358.446 0.680 20 0 FCADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001593507931 1286186626 /nfs/dbraw/zinc/18/66/26/1286186626.db2.gz LYMWYLMGMGEWNR-VYDXJSESSA-N 2 1 358.446 0.680 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1O)[NH+](C)C ZINC001735943641 1289066404 /nfs/dbraw/zinc/06/64/04/1289066404.db2.gz SCEGEZINGVYLQW-ILXRZTDVSA-N 2 1 365.478 0.035 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001707128244 1286464369 /nfs/dbraw/zinc/46/43/69/1286464369.db2.gz DCARPAZCDLZQPV-RRQGHBQHSA-N 2 1 360.462 0.544 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001735996358 1289115404 /nfs/dbraw/zinc/11/54/04/1289115404.db2.gz RPOILRSEVXUNCO-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001604860382 1287800926 /nfs/dbraw/zinc/80/09/26/1287800926.db2.gz JLMIZGDOSYSERQ-QRTARXTBSA-N 2 1 369.473 0.945 20 0 FCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001604962173 1287820950 /nfs/dbraw/zinc/82/09/50/1287820950.db2.gz JIXWQGITKZEGKS-KRXQYRFLSA-N 2 1 372.429 0.112 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243996 1287936927 /nfs/dbraw/zinc/93/69/27/1287936927.db2.gz PEAKESLSZACPNT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605699649 1288053424 /nfs/dbraw/zinc/05/34/24/1288053424.db2.gz KUVNONBYOPITEL-DFBGVHRSSA-N 2 1 370.461 0.605 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1O ZINC001719295568 1288055805 /nfs/dbraw/zinc/05/58/05/1288055805.db2.gz DIBALBMLGKIQOG-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1O ZINC001719295568 1288055814 /nfs/dbraw/zinc/05/58/14/1288055814.db2.gz DIBALBMLGKIQOG-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP Cc1cc(NCCCNC(=O)C[N@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733743 1288065489 /nfs/dbraw/zinc/06/54/89/1288065489.db2.gz KSYMPTPZWSVTNF-UHFFFAOYSA-N 2 1 374.493 0.888 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)CC1 ZINC001719342682 1288102774 /nfs/dbraw/zinc/10/27/74/1288102774.db2.gz NPHBHMHYFNKXPV-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606440809 1288320325 /nfs/dbraw/zinc/32/03/25/1288320325.db2.gz QYLYDZRFMSHEKO-QGZVFWFLSA-N 2 1 363.425 0.829 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001721399482 1288334777 /nfs/dbraw/zinc/33/47/77/1288334777.db2.gz HZKFKLNEKGHGPT-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829709 1288429657 /nfs/dbraw/zinc/42/96/57/1288429657.db2.gz XKUFLRSHPNAHMR-HUUCEWRRSA-N 2 1 359.478 0.744 20 0 FCADMP C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829709 1288429662 /nfs/dbraw/zinc/42/96/62/1288429662.db2.gz XKUFLRSHPNAHMR-HUUCEWRRSA-N 2 1 359.478 0.744 20 0 FCADMP Cc1noc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001724975948 1288457654 /nfs/dbraw/zinc/45/76/54/1288457654.db2.gz KAWSRFCBNIURCF-TZMCWYRMSA-N 2 1 351.451 0.161 20 0 FCADMP Cc1noc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001724975948 1288457656 /nfs/dbraw/zinc/45/76/56/1288457656.db2.gz KAWSRFCBNIURCF-TZMCWYRMSA-N 2 1 351.451 0.161 20 0 FCADMP Cc1noc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001724975948 1288457657 /nfs/dbraw/zinc/45/76/57/1288457657.db2.gz KAWSRFCBNIURCF-TZMCWYRMSA-N 2 1 351.451 0.161 20 0 FCADMP O=C1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1 ZINC001607041261 1288610541 /nfs/dbraw/zinc/61/05/41/1288610541.db2.gz WXJRIHULHXCAPO-HNNXBMFYSA-N 2 1 369.473 0.947 20 0 FCADMP O[C@]1(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC001607098675 1288660429 /nfs/dbraw/zinc/66/04/29/1288660429.db2.gz SFVNUCJWLWJJGL-LJQANCHMSA-N 2 1 372.473 0.962 20 0 FCADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104869 1288663193 /nfs/dbraw/zinc/66/31/93/1288663193.db2.gz RYGANCDULCIZQH-SJORKVTESA-N 2 1 360.462 0.727 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001692087052 1289395493 /nfs/dbraw/zinc/39/54/93/1289395493.db2.gz WXEIYYBFDODEGI-SJORKVTESA-N 2 1 367.538 0.815 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001692087052 1289395501 /nfs/dbraw/zinc/39/55/01/1289395501.db2.gz WXEIYYBFDODEGI-SJORKVTESA-N 2 1 367.538 0.815 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001692087052 1289395511 /nfs/dbraw/zinc/39/55/11/1289395511.db2.gz WXEIYYBFDODEGI-SJORKVTESA-N 2 1 367.538 0.815 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)C1CC1 ZINC001692388786 1289456795 /nfs/dbraw/zinc/45/67/95/1289456795.db2.gz DZIBRFWMZFZSDO-PBHICJAKSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)C1CC1 ZINC001692388786 1289456797 /nfs/dbraw/zinc/45/67/97/1289456797.db2.gz DZIBRFWMZFZSDO-PBHICJAKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001698952032 1289539542 /nfs/dbraw/zinc/53/95/42/1289539542.db2.gz NLLOLIKYONMWLT-UKRRQHHQSA-N 2 1 367.494 0.082 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@H+](C)CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001698952032 1289539547 /nfs/dbraw/zinc/53/95/47/1289539547.db2.gz NLLOLIKYONMWLT-UKRRQHHQSA-N 2 1 367.494 0.082 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@@H+](C)CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001698952032 1289539555 /nfs/dbraw/zinc/53/95/55/1289539555.db2.gz NLLOLIKYONMWLT-UKRRQHHQSA-N 2 1 367.494 0.082 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309248 1289549711 /nfs/dbraw/zinc/54/97/11/1289549711.db2.gz XJOQUNAVFOCFAS-BQWVTDQKSA-N 2 1 370.497 0.872 20 0 FCADMP CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309308 1289550718 /nfs/dbraw/zinc/55/07/18/1289550718.db2.gz XRERHVOSVVQMMO-OCXQYPQTSA-N 2 1 358.486 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001699363264 1289551856 /nfs/dbraw/zinc/55/18/56/1289551856.db2.gz OTBLMONBHYXESW-QLFBSQMISA-N 2 1 355.527 0.909 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2nnc3n2CCOC3)C2CC2)CC[N@@H+]1C ZINC001699578309 1289558077 /nfs/dbraw/zinc/55/80/77/1289558077.db2.gz ZRLWQPPCVQYANX-BPLDGKMQSA-N 2 1 362.478 0.133 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2nnc3n2CCOC3)C2CC2)CC[N@H+]1C ZINC001699578309 1289558082 /nfs/dbraw/zinc/55/80/82/1289558082.db2.gz ZRLWQPPCVQYANX-BPLDGKMQSA-N 2 1 362.478 0.133 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001699898544 1289573377 /nfs/dbraw/zinc/57/33/77/1289573377.db2.gz OLMPFRCYBFJXDT-DDUZABMNSA-N 2 1 365.478 0.204 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699898544 1289573386 /nfs/dbraw/zinc/57/33/86/1289573386.db2.gz OLMPFRCYBFJXDT-DDUZABMNSA-N 2 1 365.478 0.204 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699898544 1289573393 /nfs/dbraw/zinc/57/33/93/1289573393.db2.gz OLMPFRCYBFJXDT-DDUZABMNSA-N 2 1 365.478 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001699899502 1289573511 /nfs/dbraw/zinc/57/35/11/1289573511.db2.gz XTCULPZEMVRWCT-MZMPZRCHSA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001699899502 1289573514 /nfs/dbraw/zinc/57/35/14/1289573514.db2.gz XTCULPZEMVRWCT-MZMPZRCHSA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001699899502 1289573517 /nfs/dbraw/zinc/57/35/17/1289573517.db2.gz XTCULPZEMVRWCT-MZMPZRCHSA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001699899502 1289573524 /nfs/dbraw/zinc/57/35/24/1289573524.db2.gz XTCULPZEMVRWCT-MZMPZRCHSA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001701916472 1289716017 /nfs/dbraw/zinc/71/60/17/1289716017.db2.gz BOWMPYISRDHAKF-PRLABOORSA-N 2 1 350.507 0.917 20 0 FCADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001614040153 1289734861 /nfs/dbraw/zinc/73/48/61/1289734861.db2.gz ODEOSWSCSJHFTQ-HNNXBMFYSA-N 2 1 366.535 0.410 20 0 FCADMP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001614040153 1289734869 /nfs/dbraw/zinc/73/48/69/1289734869.db2.gz ODEOSWSCSJHFTQ-HNNXBMFYSA-N 2 1 366.535 0.410 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001702212435 1289877688 /nfs/dbraw/zinc/87/76/88/1289877688.db2.gz IQEWMIYQMSAMKV-IAGOWNOFSA-N 2 1 368.522 0.137 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001628812528 1290555748 /nfs/dbraw/zinc/55/57/48/1290555748.db2.gz LQLQEQURRQSDJP-SJORKVTESA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001628812528 1290555755 /nfs/dbraw/zinc/55/57/55/1290555755.db2.gz LQLQEQURRQSDJP-SJORKVTESA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001628812528 1290555763 /nfs/dbraw/zinc/55/57/63/1290555763.db2.gz LQLQEQURRQSDJP-SJORKVTESA-N 2 1 366.506 0.794 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001753049627 1290617870 /nfs/dbraw/zinc/61/78/70/1290617870.db2.gz KLBTXQPADANUHB-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001753049627 1290617877 /nfs/dbraw/zinc/61/78/77/1290617877.db2.gz KLBTXQPADANUHB-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1C ZINC001753049627 1290617883 /nfs/dbraw/zinc/61/78/83/1290617883.db2.gz KLBTXQPADANUHB-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1C ZINC001753049627 1290617887 /nfs/dbraw/zinc/61/78/87/1290617887.db2.gz KLBTXQPADANUHB-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001753007031 1290618642 /nfs/dbraw/zinc/61/86/42/1290618642.db2.gz YDKAXCJIQQTIDR-IIAWOOMASA-N 2 1 359.536 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001754441862 1290627660 /nfs/dbraw/zinc/62/76/60/1290627660.db2.gz SASVVMUDYXOQKI-YESZJQIVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C2CC2)C2CC2)CC[N@@H+]1C ZINC001754441234 1290627778 /nfs/dbraw/zinc/62/77/78/1290627778.db2.gz LAPSUZGJXGZCEI-HRCADAONSA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C2CC2)C2CC2)CC[N@H+]1C ZINC001754441234 1290627788 /nfs/dbraw/zinc/62/77/88/1290627788.db2.gz LAPSUZGJXGZCEI-HRCADAONSA-N 2 1 361.494 0.723 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661884 1291289925 /nfs/dbraw/zinc/28/99/25/1291289925.db2.gz CSFQHSKEJXATCX-CVEARBPZSA-N 2 1 355.479 0.583 20 0 FCADMP C[C@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001653481983 1291347403 /nfs/dbraw/zinc/34/74/03/1291347403.db2.gz BUMJWSOLABFZBN-QFBILLFUSA-N 2 1 363.502 0.688 20 0 FCADMP CNC(=O)c1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001656357927 1291514737 /nfs/dbraw/zinc/51/47/37/1291514737.db2.gz FJZCNLJAKZEDAA-UHFFFAOYSA-N 2 1 354.458 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001661310191 1291687493 /nfs/dbraw/zinc/68/74/93/1291687493.db2.gz GIZLLQZEQNVKKH-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC001665657804 1291874762 /nfs/dbraw/zinc/87/47/62/1291874762.db2.gz CWQZMMKHQKKVTP-SFHVURJKSA-N 2 1 351.495 0.324 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001665657804 1291874777 /nfs/dbraw/zinc/87/47/77/1291874777.db2.gz CWQZMMKHQKKVTP-SFHVURJKSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001666287385 1291907661 /nfs/dbraw/zinc/90/76/61/1291907661.db2.gz VMUUENZHZLXTSQ-HSFUPAIVSA-N 2 1 363.506 0.601 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001685070034 1292417317 /nfs/dbraw/zinc/41/73/17/1292417317.db2.gz SQAOKSCBYGSFLW-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)(N2CCOCC2)CC1 ZINC001686784057 1292957616 /nfs/dbraw/zinc/95/76/16/1292957616.db2.gz FXUKNUXWUASOIM-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC001686823526 1292961907 /nfs/dbraw/zinc/96/19/07/1292961907.db2.gz NQUCGGZINOESOW-UHFFFAOYSA-N 2 1 360.466 0.502 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001688979605 1294558054 /nfs/dbraw/zinc/55/80/54/1294558054.db2.gz COCDCSMJLDLWRH-XHSDSOJGSA-N 2 1 359.536 0.778 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001689177087 1294642831 /nfs/dbraw/zinc/64/28/31/1294642831.db2.gz WPHQCQKOXXRTLW-MELADBBJSA-N 2 1 353.467 0.025 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001689177087 1294642837 /nfs/dbraw/zinc/64/28/37/1294642837.db2.gz WPHQCQKOXXRTLW-MELADBBJSA-N 2 1 353.467 0.025 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC(N)=O ZINC001689177087 1294642838 /nfs/dbraw/zinc/64/28/38/1294642838.db2.gz WPHQCQKOXXRTLW-MELADBBJSA-N 2 1 353.467 0.025 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC(N)=O ZINC001689177087 1294642846 /nfs/dbraw/zinc/64/28/46/1294642846.db2.gz WPHQCQKOXXRTLW-MELADBBJSA-N 2 1 353.467 0.025 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001689230113 1294687984 /nfs/dbraw/zinc/68/79/84/1294687984.db2.gz OCDDCIXMGUMYCS-XHSDSOJGSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001689244935 1294703117 /nfs/dbraw/zinc/70/31/17/1294703117.db2.gz KLRPKULDNASRMS-BZUAXINKSA-N 2 1 356.511 0.210 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689244935 1294703128 /nfs/dbraw/zinc/70/31/28/1294703128.db2.gz KLRPKULDNASRMS-BZUAXINKSA-N 2 1 356.511 0.210 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001689244935 1294703134 /nfs/dbraw/zinc/70/31/34/1294703134.db2.gz KLRPKULDNASRMS-BZUAXINKSA-N 2 1 356.511 0.210 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001689318407 1294741648 /nfs/dbraw/zinc/74/16/48/1294741648.db2.gz INHBDHCGWDJCIJ-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001689318407 1294741654 /nfs/dbraw/zinc/74/16/54/1294741654.db2.gz INHBDHCGWDJCIJ-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001689318407 1294741657 /nfs/dbraw/zinc/74/16/57/1294741657.db2.gz INHBDHCGWDJCIJ-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001689318407 1294741663 /nfs/dbraw/zinc/74/16/63/1294741663.db2.gz INHBDHCGWDJCIJ-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001689325436 1294752078 /nfs/dbraw/zinc/75/20/78/1294752078.db2.gz QQONDWSBOQTKIO-INMHGKMJSA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001689325436 1294752084 /nfs/dbraw/zinc/75/20/84/1294752084.db2.gz QQONDWSBOQTKIO-INMHGKMJSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001689338242 1294759246 /nfs/dbraw/zinc/75/92/46/1294759246.db2.gz KWIIJWNKGWTLKB-KURKYZTESA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001690151757 1294859947 /nfs/dbraw/zinc/85/99/47/1294859947.db2.gz SBFJISRAVJBHFX-KBRIMQKVSA-N 2 1 362.474 0.720 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N2CCCCC2)C2CC2)CC[N@H+]1C ZINC001690151454 1294860472 /nfs/dbraw/zinc/86/04/72/1294860472.db2.gz MGOOTGRPLUBERX-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cc(C)on3)C2)CC[N@H+]1C ZINC001690338360 1294865038 /nfs/dbraw/zinc/86/50/38/1294865038.db2.gz UHAMGMUSGBRMIN-LJISPDSOSA-N 2 1 363.462 0.889 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCn2cnc3ccccc3c2=O)CC[N@H+]1C ZINC001690941584 1294893062 /nfs/dbraw/zinc/89/30/62/1294893062.db2.gz IRFNYMFBHVTDSY-HZPDHXFCSA-N 2 1 371.485 0.785 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1C ZINC001690941584 1294893073 /nfs/dbraw/zinc/89/30/73/1294893073.db2.gz IRFNYMFBHVTDSY-HZPDHXFCSA-N 2 1 371.485 0.785 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1C ZINC001690941584 1294893084 /nfs/dbraw/zinc/89/30/84/1294893084.db2.gz IRFNYMFBHVTDSY-HZPDHXFCSA-N 2 1 371.485 0.785 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001691659318 1294906676 /nfs/dbraw/zinc/90/66/76/1294906676.db2.gz FMCXOZADXPPVSC-GVDBMIGSSA-N 2 1 350.507 0.825 20 0 FCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164746239 720650053 /nfs/dbraw/zinc/65/00/53/720650053.db2.gz WJQHGRDUMBRSQH-UONOGXRCSA-N 2 1 353.430 0.254 20 0 FCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164867995 721065392 /nfs/dbraw/zinc/06/53/92/721065392.db2.gz LVFWTQQJFGJZOC-IRXDYDNUSA-N 2 1 366.469 0.997 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1C[NH2+]C3)CCC2 ZINC001165000442 722252278 /nfs/dbraw/zinc/25/22/78/722252278.db2.gz PKZHEVYZZUQYAA-UHFFFAOYSA-N 2 1 357.462 0.765 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@H+]1C ZINC001067536392 837465393 /nfs/dbraw/zinc/46/53/93/837465393.db2.gz WRLRKUFDMNCXNI-DJIMGWMZSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015201 837598378 /nfs/dbraw/zinc/59/83/78/837598378.db2.gz KJAGEMVIEVNPBK-IMJJTQAJSA-N 2 1 352.458 0.710 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCF)CC2)CC[N@@H+]1C ZINC001070966763 837705965 /nfs/dbraw/zinc/70/59/65/837705965.db2.gz MFAHPRNTSXZSHO-JKSUJKDBSA-N 2 1 356.486 0.727 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCF)CC2)CC[N@H+]1C ZINC001070966763 837705973 /nfs/dbraw/zinc/70/59/73/837705973.db2.gz MFAHPRNTSXZSHO-JKSUJKDBSA-N 2 1 356.486 0.727 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)CC[NH+]1C ZINC001070966763 837705980 /nfs/dbraw/zinc/70/59/80/837705980.db2.gz MFAHPRNTSXZSHO-JKSUJKDBSA-N 2 1 356.486 0.727 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)CC[NH+]1C ZINC001070966763 837705983 /nfs/dbraw/zinc/70/59/83/837705983.db2.gz MFAHPRNTSXZSHO-JKSUJKDBSA-N 2 1 356.486 0.727 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC3CC3)CC2)C1 ZINC001071046848 837717863 /nfs/dbraw/zinc/71/78/63/837717863.db2.gz SPDREMMUHZXRTO-SQNIBIBYSA-N 2 1 351.491 0.713 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC3CC3)CC2)C1 ZINC001071046848 837717868 /nfs/dbraw/zinc/71/78/68/837717868.db2.gz SPDREMMUHZXRTO-SQNIBIBYSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)O1 ZINC001071065256 837723002 /nfs/dbraw/zinc/72/30/02/837723002.db2.gz KPQQLOBXJSXTFF-DZUCGIPZSA-N 2 1 357.470 0.661 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)O1 ZINC001071065256 837723012 /nfs/dbraw/zinc/72/30/12/837723012.db2.gz KPQQLOBXJSXTFF-DZUCGIPZSA-N 2 1 357.470 0.661 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCCOC2)C3)O1 ZINC001072851015 837745495 /nfs/dbraw/zinc/74/54/95/837745495.db2.gz HRPKTTVEJJGMPW-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCCOC2)C3)O1 ZINC001072851015 837745500 /nfs/dbraw/zinc/74/55/00/837745500.db2.gz HRPKTTVEJJGMPW-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCCOC2)C3)O1 ZINC001072851015 837745504 /nfs/dbraw/zinc/74/55/04/837745504.db2.gz HRPKTTVEJJGMPW-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCCOC2)C3)O1 ZINC001072851015 837745509 /nfs/dbraw/zinc/74/55/09/837745509.db2.gz HRPKTTVEJJGMPW-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCCOC2)C3)O1 ZINC001072851016 837746072 /nfs/dbraw/zinc/74/60/72/837746072.db2.gz HRPKTTVEJJGMPW-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCCOC2)C3)O1 ZINC001072851016 837746077 /nfs/dbraw/zinc/74/60/77/837746077.db2.gz HRPKTTVEJJGMPW-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCCOC2)C3)O1 ZINC001072851016 837746085 /nfs/dbraw/zinc/74/60/85/837746085.db2.gz HRPKTTVEJJGMPW-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCCOC2)C3)O1 ZINC001072851016 837746095 /nfs/dbraw/zinc/74/60/95/837746095.db2.gz HRPKTTVEJJGMPW-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343700 844051799 /nfs/dbraw/zinc/05/17/99/844051799.db2.gz NOQLIQPCOSZDOG-PRLABOORSA-N 2 1 353.511 0.519 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001100345141 844052041 /nfs/dbraw/zinc/05/20/41/844052041.db2.gz RFTDVUCCFZRHTM-MHVXSEJMSA-N 2 1 350.507 0.727 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101188031 844096773 /nfs/dbraw/zinc/09/67/73/844096773.db2.gz ZHGHGOZPDPJZPP-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101188031 844096784 /nfs/dbraw/zinc/09/67/84/844096784.db2.gz ZHGHGOZPDPJZPP-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101188031 844096796 /nfs/dbraw/zinc/09/67/96/844096796.db2.gz ZHGHGOZPDPJZPP-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101188031 844096807 /nfs/dbraw/zinc/09/68/07/844096807.db2.gz ZHGHGOZPDPJZPP-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187339 844097281 /nfs/dbraw/zinc/09/72/81/844097281.db2.gz OQJWFPPOYRFNIA-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187339 844097291 /nfs/dbraw/zinc/09/72/91/844097291.db2.gz OQJWFPPOYRFNIA-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187339 844097304 /nfs/dbraw/zinc/09/73/04/844097304.db2.gz OQJWFPPOYRFNIA-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187339 844097317 /nfs/dbraw/zinc/09/73/17/844097317.db2.gz OQJWFPPOYRFNIA-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279637 844130664 /nfs/dbraw/zinc/13/06/64/844130664.db2.gz SPKCDVAOWGXXBW-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101279637 844130668 /nfs/dbraw/zinc/13/06/68/844130668.db2.gz SPKCDVAOWGXXBW-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101279637 844130674 /nfs/dbraw/zinc/13/06/74/844130674.db2.gz SPKCDVAOWGXXBW-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCN(CC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000745780048 836151237 /nfs/dbraw/zinc/15/12/37/836151237.db2.gz HRVIIHAVFJZQHD-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101343009 844151787 /nfs/dbraw/zinc/15/17/87/844151787.db2.gz YJBGFUOYEKSTMA-AEFFLSMTSA-N 2 1 353.507 0.772 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101341793 844152377 /nfs/dbraw/zinc/15/23/77/844152377.db2.gz PYIYTTAMFCKCSK-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364259 844161885 /nfs/dbraw/zinc/16/18/85/844161885.db2.gz QBXOGYZDGLKKMM-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364259 844161892 /nfs/dbraw/zinc/16/18/92/844161892.db2.gz QBXOGYZDGLKKMM-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364259 844161897 /nfs/dbraw/zinc/16/18/97/844161897.db2.gz QBXOGYZDGLKKMM-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364259 844161902 /nfs/dbraw/zinc/16/19/02/844161902.db2.gz QBXOGYZDGLKKMM-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101394054 844174239 /nfs/dbraw/zinc/17/42/39/844174239.db2.gz RRNBZESXLXHMGB-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101394054 844174245 /nfs/dbraw/zinc/17/42/45/844174245.db2.gz RRNBZESXLXHMGB-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101400496 844174693 /nfs/dbraw/zinc/17/46/93/844174693.db2.gz YZYCEUCSEBWFOX-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405812 844176719 /nfs/dbraw/zinc/17/67/19/844176719.db2.gz QBOXCCKKPBTNQO-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418119 844180497 /nfs/dbraw/zinc/18/04/97/844180497.db2.gz AGOKAGVUJVWBBT-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418119 844180505 /nfs/dbraw/zinc/18/05/05/844180505.db2.gz AGOKAGVUJVWBBT-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418119 844180511 /nfs/dbraw/zinc/18/05/11/844180511.db2.gz AGOKAGVUJVWBBT-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432175 844184064 /nfs/dbraw/zinc/18/40/64/844184064.db2.gz FPWPPWDRPWXTTK-AEFFLSMTSA-N 2 1 357.495 0.008 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430037 844184082 /nfs/dbraw/zinc/18/40/82/844184082.db2.gz LTCJHULTGSJAJY-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430037 844184086 /nfs/dbraw/zinc/18/40/86/844184086.db2.gz LTCJHULTGSJAJY-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430037 844184088 /nfs/dbraw/zinc/18/40/88/844184088.db2.gz LTCJHULTGSJAJY-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101430037 844184091 /nfs/dbraw/zinc/18/40/91/844184091.db2.gz LTCJHULTGSJAJY-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429790 844184518 /nfs/dbraw/zinc/18/45/18/844184518.db2.gz ADYUMRWZIBAHKN-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429790 844184523 /nfs/dbraw/zinc/18/45/23/844184523.db2.gz ADYUMRWZIBAHKN-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429790 844184527 /nfs/dbraw/zinc/18/45/27/844184527.db2.gz ADYUMRWZIBAHKN-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)O1 ZINC001059857608 836649726 /nfs/dbraw/zinc/64/97/26/836649726.db2.gz FBLHHRVCHSZUQD-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)O1 ZINC001059857608 836649731 /nfs/dbraw/zinc/64/97/31/836649731.db2.gz FBLHHRVCHSZUQD-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441037 844187044 /nfs/dbraw/zinc/18/70/44/844187044.db2.gz IZMNVLAEPPUEBU-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441037 844187050 /nfs/dbraw/zinc/18/70/50/844187050.db2.gz IZMNVLAEPPUEBU-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101441037 844187057 /nfs/dbraw/zinc/18/70/57/844187057.db2.gz IZMNVLAEPPUEBU-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461701 844193632 /nfs/dbraw/zinc/19/36/32/844193632.db2.gz PHLKXDXDVNTLES-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061605287 836698580 /nfs/dbraw/zinc/69/85/80/836698580.db2.gz RLTFKRAEPANIMF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461700 844192591 /nfs/dbraw/zinc/19/25/91/844192591.db2.gz PHLKXDXDVNTLES-GJYPPUQNSA-N 2 1 350.507 0.907 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460362 844192979 /nfs/dbraw/zinc/19/29/79/844192979.db2.gz BGFNPIDINMCTRE-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460362 844192985 /nfs/dbraw/zinc/19/29/85/844192985.db2.gz BGFNPIDINMCTRE-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460362 844192995 /nfs/dbraw/zinc/19/29/95/844192995.db2.gz BGFNPIDINMCTRE-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061829011 836717899 /nfs/dbraw/zinc/71/78/99/836717899.db2.gz HRGXKYFJQQGVLE-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061899272 836720175 /nfs/dbraw/zinc/72/01/75/836720175.db2.gz UQHQSLCUWFQMQH-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061899272 836720184 /nfs/dbraw/zinc/72/01/84/836720184.db2.gz UQHQSLCUWFQMQH-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061899272 836720193 /nfs/dbraw/zinc/72/01/93/836720193.db2.gz UQHQSLCUWFQMQH-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464615 844194599 /nfs/dbraw/zinc/19/45/99/844194599.db2.gz QDIKNJFTSZOCHO-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101476050 844200392 /nfs/dbraw/zinc/20/03/92/844200392.db2.gz AFROZFWKNFCBCN-BEFAXECRSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101476050 844200399 /nfs/dbraw/zinc/20/03/99/844200399.db2.gz AFROZFWKNFCBCN-BEFAXECRSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101476050 844200406 /nfs/dbraw/zinc/20/04/06/844200406.db2.gz AFROZFWKNFCBCN-BEFAXECRSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476182 844200484 /nfs/dbraw/zinc/20/04/84/844200484.db2.gz HCASSYDOVZHONV-KHYOSLBOSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476182 844200489 /nfs/dbraw/zinc/20/04/89/844200489.db2.gz HCASSYDOVZHONV-KHYOSLBOSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476182 844200497 /nfs/dbraw/zinc/20/04/97/844200497.db2.gz HCASSYDOVZHONV-KHYOSLBOSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065540402 836843210 /nfs/dbraw/zinc/84/32/10/836843210.db2.gz QUPFVWMYFRTZDA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815817 844278855 /nfs/dbraw/zinc/27/88/55/844278855.db2.gz UTHHDCTZWAZAAM-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815817 844278861 /nfs/dbraw/zinc/27/88/61/844278861.db2.gz UTHHDCTZWAZAAM-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815817 844278865 /nfs/dbraw/zinc/27/88/65/844278865.db2.gz UTHHDCTZWAZAAM-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574324 838019670 /nfs/dbraw/zinc/01/96/70/838019670.db2.gz DMESDXPGTSMEJN-YESZJQIVSA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574324 838019680 /nfs/dbraw/zinc/01/96/80/838019680.db2.gz DMESDXPGTSMEJN-YESZJQIVSA-N 2 1 369.531 0.440 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999056 838204099 /nfs/dbraw/zinc/20/40/99/838204099.db2.gz BYTXYCTVXMDCJT-BRWVUGGUSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999155 838204480 /nfs/dbraw/zinc/20/44/80/838204480.db2.gz GESGXHKVDKPRCF-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007580 838212906 /nfs/dbraw/zinc/21/29/06/838212906.db2.gz SLATYUFYODPGMD-ARFHVFGLSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007580 838212915 /nfs/dbraw/zinc/21/29/15/838212915.db2.gz SLATYUFYODPGMD-ARFHVFGLSA-N 2 1 364.515 0.763 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982648 844361629 /nfs/dbraw/zinc/36/16/29/844361629.db2.gz BMTGHQKZBUOMAK-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982648 844361637 /nfs/dbraw/zinc/36/16/37/844361637.db2.gz BMTGHQKZBUOMAK-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982648 844361646 /nfs/dbraw/zinc/36/16/46/844361646.db2.gz BMTGHQKZBUOMAK-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077236158 838840003 /nfs/dbraw/zinc/84/00/03/838840003.db2.gz FVKKXLZREOZRPG-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077236158 838840016 /nfs/dbraw/zinc/84/00/16/838840016.db2.gz FVKKXLZREOZRPG-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077236158 838840029 /nfs/dbraw/zinc/84/00/29/838840029.db2.gz FVKKXLZREOZRPG-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077236158 838840042 /nfs/dbraw/zinc/84/00/42/838840042.db2.gz FVKKXLZREOZRPG-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417944 838958808 /nfs/dbraw/zinc/95/88/08/838958808.db2.gz FRRZIYCDFKVLOJ-YLADIXGZSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417944 838958819 /nfs/dbraw/zinc/95/88/19/838958819.db2.gz FRRZIYCDFKVLOJ-YLADIXGZSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077417944 838958831 /nfs/dbraw/zinc/95/88/31/838958831.db2.gz FRRZIYCDFKVLOJ-YLADIXGZSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077417944 838958839 /nfs/dbraw/zinc/95/88/39/838958839.db2.gz FRRZIYCDFKVLOJ-YLADIXGZSA-N 2 1 363.483 0.273 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505011 839002576 /nfs/dbraw/zinc/00/25/76/839002576.db2.gz JWFSUYQZRSCDBD-BRWVUGGUSA-N 2 1 353.507 0.981 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046028 844394074 /nfs/dbraw/zinc/39/40/74/844394074.db2.gz IQKNCAYJOPVMEI-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077777177 839151344 /nfs/dbraw/zinc/15/13/44/839151344.db2.gz AQSCZVCHIIWVHC-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077777177 839151351 /nfs/dbraw/zinc/15/13/51/839151351.db2.gz AQSCZVCHIIWVHC-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077777177 839151357 /nfs/dbraw/zinc/15/13/57/839151357.db2.gz AQSCZVCHIIWVHC-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077777177 839151359 /nfs/dbraw/zinc/15/13/59/839151359.db2.gz AQSCZVCHIIWVHC-KZNAEPCWSA-N 2 1 353.507 0.980 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777306 839151733 /nfs/dbraw/zinc/15/17/33/839151733.db2.gz GXRABASQGGPDIR-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C)[NH+](C)C ZINC001102087908 844408934 /nfs/dbraw/zinc/40/89/34/844408934.db2.gz ATUNWLXEPVVLMS-BZUAXINKSA-N 2 1 355.527 0.718 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001077923751 839234381 /nfs/dbraw/zinc/23/43/81/839234381.db2.gz BIXZQOFKGXMMKF-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001078229817 839418152 /nfs/dbraw/zinc/41/81/52/839418152.db2.gz ZSKQBPDFVUBFCQ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001078229817 839418158 /nfs/dbraw/zinc/41/81/58/839418158.db2.gz ZSKQBPDFVUBFCQ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001078229817 839418165 /nfs/dbraw/zinc/41/81/65/839418165.db2.gz ZSKQBPDFVUBFCQ-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189162 844438953 /nfs/dbraw/zinc/43/89/53/844438953.db2.gz YZUBETJMIJAYMG-QGPMSJSTSA-N 2 1 350.507 0.633 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274048 839504283 /nfs/dbraw/zinc/50/42/83/839504283.db2.gz DQQADDRBMQUYGF-BBWFWOEESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274048 839504290 /nfs/dbraw/zinc/50/42/90/839504290.db2.gz DQQADDRBMQUYGF-BBWFWOEESA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079686840 839574538 /nfs/dbraw/zinc/57/45/38/839574538.db2.gz FLIUEPBDIIADFZ-OAGGEKHMSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079686840 839574545 /nfs/dbraw/zinc/57/45/45/839574545.db2.gz FLIUEPBDIIADFZ-OAGGEKHMSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079686840 839574556 /nfs/dbraw/zinc/57/45/56/839574556.db2.gz FLIUEPBDIIADFZ-OAGGEKHMSA-N 2 1 351.495 0.321 20 0 FCADMP CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079817781 839599437 /nfs/dbraw/zinc/59/94/37/839599437.db2.gz NTYGVHGBNOQAIG-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079817781 839599446 /nfs/dbraw/zinc/59/94/46/839599446.db2.gz NTYGVHGBNOQAIG-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079966068 839634504 /nfs/dbraw/zinc/63/45/04/839634504.db2.gz ZIAYVKMCCKYXCV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079966068 839634512 /nfs/dbraw/zinc/63/45/12/839634512.db2.gz ZIAYVKMCCKYXCV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079966068 839634522 /nfs/dbraw/zinc/63/45/22/839634522.db2.gz ZIAYVKMCCKYXCV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079966068 839634527 /nfs/dbraw/zinc/63/45/27/839634527.db2.gz ZIAYVKMCCKYXCV-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254985 839691461 /nfs/dbraw/zinc/69/14/61/839691461.db2.gz LCTVLMRNDUQTIU-MCIONIFRSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254985 839691466 /nfs/dbraw/zinc/69/14/66/839691466.db2.gz LCTVLMRNDUQTIU-MCIONIFRSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254772 839691620 /nfs/dbraw/zinc/69/16/20/839691620.db2.gz FSUWNZIPXDYQTQ-IIAWOOMASA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254772 839691625 /nfs/dbraw/zinc/69/16/25/839691625.db2.gz FSUWNZIPXDYQTQ-IIAWOOMASA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382524 839715090 /nfs/dbraw/zinc/71/50/90/839715090.db2.gz PGVPSNLJLOFSDK-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382524 839715098 /nfs/dbraw/zinc/71/50/98/839715098.db2.gz PGVPSNLJLOFSDK-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382331 839715443 /nfs/dbraw/zinc/71/54/43/839715443.db2.gz HBAMDISJMZIDCN-RHSMWYFYSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382331 839715452 /nfs/dbraw/zinc/71/54/52/839715452.db2.gz HBAMDISJMZIDCN-RHSMWYFYSA-N 2 1 371.547 0.590 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456065 839728429 /nfs/dbraw/zinc/72/84/29/839728429.db2.gz LZYMUOCZJKNWKQ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456065 839728433 /nfs/dbraw/zinc/72/84/33/839728433.db2.gz LZYMUOCZJKNWKQ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456065 839728438 /nfs/dbraw/zinc/72/84/38/839728438.db2.gz LZYMUOCZJKNWKQ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456065 839728445 /nfs/dbraw/zinc/72/84/45/839728445.db2.gz LZYMUOCZJKNWKQ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456301 839728509 /nfs/dbraw/zinc/72/85/09/839728509.db2.gz XWINPGBXXIKQPJ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456301 839728517 /nfs/dbraw/zinc/72/85/17/839728517.db2.gz XWINPGBXXIKQPJ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456301 839728522 /nfs/dbraw/zinc/72/85/22/839728522.db2.gz XWINPGBXXIKQPJ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C)[NH+](C)C ZINC001102330247 844467101 /nfs/dbraw/zinc/46/71/01/844467101.db2.gz KMPFPTGRXQWCKY-JFIYKMOQSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781418 839799360 /nfs/dbraw/zinc/79/93/60/839799360.db2.gz ZSXBPHIUQUYISR-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781418 839799366 /nfs/dbraw/zinc/79/93/66/839799366.db2.gz ZSXBPHIUQUYISR-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080781418 839799370 /nfs/dbraw/zinc/79/93/70/839799370.db2.gz ZSXBPHIUQUYISR-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080781418 839799374 /nfs/dbraw/zinc/79/93/74/839799374.db2.gz ZSXBPHIUQUYISR-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369781 844477271 /nfs/dbraw/zinc/47/72/71/844477271.db2.gz GTOYQUQDKKMZIS-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369781 844477275 /nfs/dbraw/zinc/47/72/75/844477275.db2.gz GTOYQUQDKKMZIS-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369781 844477278 /nfs/dbraw/zinc/47/72/78/844477278.db2.gz GTOYQUQDKKMZIS-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001102377113 844481146 /nfs/dbraw/zinc/48/11/46/844481146.db2.gz OSMCQIBJSVYQSD-UPJWGTAASA-N 2 1 366.428 0.689 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001102377113 844481155 /nfs/dbraw/zinc/48/11/55/844481155.db2.gz OSMCQIBJSVYQSD-UPJWGTAASA-N 2 1 366.428 0.689 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001081796529 840034859 /nfs/dbraw/zinc/03/48/59/840034859.db2.gz ZMCZZMNZNIUXLP-FGTMMUONSA-N 2 1 351.491 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796529 840034866 /nfs/dbraw/zinc/03/48/66/840034866.db2.gz ZMCZZMNZNIUXLP-FGTMMUONSA-N 2 1 351.491 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796529 840034876 /nfs/dbraw/zinc/03/48/76/840034876.db2.gz ZMCZZMNZNIUXLP-FGTMMUONSA-N 2 1 351.491 0.855 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433739 844497201 /nfs/dbraw/zinc/49/72/01/844497201.db2.gz DRPRTXFMHZHHLN-GDBMZVCRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433739 844497203 /nfs/dbraw/zinc/49/72/03/844497203.db2.gz DRPRTXFMHZHHLN-GDBMZVCRSA-N 2 1 359.536 0.447 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CCC1 ZINC001081949509 840119265 /nfs/dbraw/zinc/11/92/65/840119265.db2.gz SGZAUDCFWVPPGM-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CCC1 ZINC001081949509 840119273 /nfs/dbraw/zinc/11/92/73/840119273.db2.gz SGZAUDCFWVPPGM-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469140 844511384 /nfs/dbraw/zinc/51/13/84/844511384.db2.gz RALGQYQSALGWBG-SJLPKXTDSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469140 844511387 /nfs/dbraw/zinc/51/13/87/844511387.db2.gz RALGQYQSALGWBG-SJLPKXTDSA-N 2 1 353.507 0.819 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102473548 844514597 /nfs/dbraw/zinc/51/45/97/844514597.db2.gz FPLNWIOZHYXMII-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202062 840235830 /nfs/dbraw/zinc/23/58/30/840235830.db2.gz CUXKYNHJXAUHNA-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479923 844519438 /nfs/dbraw/zinc/51/94/38/844519438.db2.gz NYAHBVBWSMTCLI-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326041 840308574 /nfs/dbraw/zinc/30/85/74/840308574.db2.gz KZPHENTWQJVBSU-DJIMGWMZSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326041 840308589 /nfs/dbraw/zinc/30/85/89/840308589.db2.gz KZPHENTWQJVBSU-DJIMGWMZSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326041 840308602 /nfs/dbraw/zinc/30/86/02/840308602.db2.gz KZPHENTWQJVBSU-DJIMGWMZSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326041 840308617 /nfs/dbraw/zinc/30/86/17/840308617.db2.gz KZPHENTWQJVBSU-DJIMGWMZSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082459095 840421814 /nfs/dbraw/zinc/42/18/14/840421814.db2.gz LLYAPWMMEPINHM-YUELXQCFSA-N 2 1 355.870 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082459095 840421819 /nfs/dbraw/zinc/42/18/19/840421819.db2.gz LLYAPWMMEPINHM-YUELXQCFSA-N 2 1 355.870 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511335 844541492 /nfs/dbraw/zinc/54/14/92/844541492.db2.gz SLCTZXVRMHVILH-GDBMZVCRSA-N 2 1 352.454 0.983 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001082561635 840466952 /nfs/dbraw/zinc/46/69/52/840466952.db2.gz GQGGXPLETHIBMY-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511081 844541738 /nfs/dbraw/zinc/54/17/38/844541738.db2.gz IGDJNBNTGUTPEU-HZPDHXFCSA-N 2 1 351.495 0.665 20 0 FCADMP CCn1ccnc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511081 844541745 /nfs/dbraw/zinc/54/17/45/844541745.db2.gz IGDJNBNTGUTPEU-HZPDHXFCSA-N 2 1 351.495 0.665 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590358 840478825 /nfs/dbraw/zinc/47/88/25/840478825.db2.gz RQZAQPKJWYEVPK-HBJVGIJOSA-N 2 1 353.492 0.502 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590358 840478833 /nfs/dbraw/zinc/47/88/33/840478833.db2.gz RQZAQPKJWYEVPK-HBJVGIJOSA-N 2 1 353.492 0.502 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082612614 840493021 /nfs/dbraw/zinc/49/30/21/840493021.db2.gz WTDUKCPCDPUCBZ-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513261 844545053 /nfs/dbraw/zinc/54/50/53/844545053.db2.gz CCNJHSVVVVLFQJ-HUUCEWRRSA-N 2 1 354.520 0.948 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514369 844546219 /nfs/dbraw/zinc/54/62/19/844546219.db2.gz VCESUQSNRNUQPN-BZUAXINKSA-N 2 1 356.511 0.163 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514370 844546376 /nfs/dbraw/zinc/54/63/76/844546376.db2.gz VCESUQSNRNUQPN-OWCLPIDISA-N 2 1 356.511 0.163 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742662 840542900 /nfs/dbraw/zinc/54/29/00/840542900.db2.gz NZUBRVLAYZMSGH-SQWLQELKSA-N 2 1 366.531 0.997 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082742414 840543161 /nfs/dbraw/zinc/54/31/61/840543161.db2.gz DUDFCJMQIMDUKZ-ZMSDIMECSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082861912 840588474 /nfs/dbraw/zinc/58/84/74/840588474.db2.gz SHLXOYZETZENAK-QLFBSQMISA-N 2 1 352.458 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082861912 840588479 /nfs/dbraw/zinc/58/84/79/840588479.db2.gz SHLXOYZETZENAK-QLFBSQMISA-N 2 1 352.458 0.526 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccns3)C2)C1 ZINC001082934509 840613231 /nfs/dbraw/zinc/61/32/31/840613231.db2.gz OARDEAWQBXKTQU-BMFZPTHFSA-N 2 1 352.504 0.843 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccns3)C2)C1 ZINC001082934509 840613236 /nfs/dbraw/zinc/61/32/36/840613236.db2.gz OARDEAWQBXKTQU-BMFZPTHFSA-N 2 1 352.504 0.843 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCC4)C[C@@H]32)C1 ZINC001083174536 840773294 /nfs/dbraw/zinc/77/32/94/840773294.db2.gz NHHUJIMDSPJXNV-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCC4)C[C@@H]32)C1 ZINC001083174536 840773298 /nfs/dbraw/zinc/77/32/98/840773298.db2.gz NHHUJIMDSPJXNV-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCC4)C[C@@H]32)C1 ZINC001083174536 840773303 /nfs/dbraw/zinc/77/33/03/840773303.db2.gz NHHUJIMDSPJXNV-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]32)C1 ZINC001083174536 840773306 /nfs/dbraw/zinc/77/33/06/840773306.db2.gz NHHUJIMDSPJXNV-KSZLIROESA-N 2 1 351.491 0.807 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@@H]32)CC1 ZINC001083182960 840780358 /nfs/dbraw/zinc/78/03/58/840780358.db2.gz GIYQMLMLHRGLHB-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192821 840786238 /nfs/dbraw/zinc/78/62/38/840786238.db2.gz QCNAOOSOSFJDQD-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192821 840786248 /nfs/dbraw/zinc/78/62/48/840786248.db2.gz QCNAOOSOSFJDQD-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192821 840786256 /nfs/dbraw/zinc/78/62/56/840786256.db2.gz QCNAOOSOSFJDQD-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192821 840786264 /nfs/dbraw/zinc/78/62/64/840786264.db2.gz QCNAOOSOSFJDQD-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21 ZINC001083193457 840788408 /nfs/dbraw/zinc/78/84/08/840788408.db2.gz SOPSDBZNRMBIFY-BPQIPLTHSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21 ZINC001083193457 840788417 /nfs/dbraw/zinc/78/84/17/840788417.db2.gz SOPSDBZNRMBIFY-BPQIPLTHSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001083193457 840788425 /nfs/dbraw/zinc/78/84/25/840788425.db2.gz SOPSDBZNRMBIFY-BPQIPLTHSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001083193457 840788432 /nfs/dbraw/zinc/78/84/32/840788432.db2.gz SOPSDBZNRMBIFY-BPQIPLTHSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21 ZINC001083193458 840789095 /nfs/dbraw/zinc/78/90/95/840789095.db2.gz SOPSDBZNRMBIFY-RYQLBKOJSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21 ZINC001083193458 840789102 /nfs/dbraw/zinc/78/91/02/840789102.db2.gz SOPSDBZNRMBIFY-RYQLBKOJSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001083193458 840789109 /nfs/dbraw/zinc/78/91/09/840789109.db2.gz SOPSDBZNRMBIFY-RYQLBKOJSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001083193458 840789115 /nfs/dbraw/zinc/78/91/15/840789115.db2.gz SOPSDBZNRMBIFY-RYQLBKOJSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580070 844574769 /nfs/dbraw/zinc/57/47/69/844574769.db2.gz DPKHGQZQNRGMOL-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235124 840818654 /nfs/dbraw/zinc/81/86/54/840818654.db2.gz OCMHJZRHENCWQI-HYVNUMGLSA-N 2 1 355.479 0.044 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583110 844577250 /nfs/dbraw/zinc/57/72/50/844577250.db2.gz SYTNRRAGFWHFRD-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249397 840833695 /nfs/dbraw/zinc/83/36/95/840833695.db2.gz CDJMGSPANDQWIS-JKSUJKDBSA-N 2 1 362.499 0.693 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249397 840833704 /nfs/dbraw/zinc/83/37/04/840833704.db2.gz CDJMGSPANDQWIS-JKSUJKDBSA-N 2 1 362.499 0.693 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CCC1 ZINC001083274817 840857034 /nfs/dbraw/zinc/85/70/34/840857034.db2.gz AWEBJJQDQAWBJF-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599087 844588428 /nfs/dbraw/zinc/58/84/28/844588428.db2.gz OEMUXDIUKITCMN-HZPDHXFCSA-N 2 1 359.536 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599087 844588436 /nfs/dbraw/zinc/58/84/36/844588436.db2.gz OEMUXDIUKITCMN-HZPDHXFCSA-N 2 1 359.536 0.591 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460620 841028300 /nfs/dbraw/zinc/02/83/00/841028300.db2.gz PUVAHRVPXXHDPG-SJORKVTESA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460620 841028305 /nfs/dbraw/zinc/02/83/05/841028305.db2.gz PUVAHRVPXXHDPG-SJORKVTESA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3csc(C)n3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475015 841049591 /nfs/dbraw/zinc/04/95/91/841049591.db2.gz MFIOSSQYQBGMNP-HZMVEIRTSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3csc(C)n3)C[C@@H]2O)CC[N@H+]1C ZINC001083475015 841049602 /nfs/dbraw/zinc/04/96/02/841049602.db2.gz MFIOSSQYQBGMNP-HZMVEIRTSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3csc(C)n3)C[C@@H]2O)CC[NH+]1C ZINC001083475015 841049615 /nfs/dbraw/zinc/04/96/15/841049615.db2.gz MFIOSSQYQBGMNP-HZMVEIRTSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3csc(C)n3)C[C@@H]2O)CC[NH+]1C ZINC001083475015 841049631 /nfs/dbraw/zinc/04/96/31/841049631.db2.gz MFIOSSQYQBGMNP-HZMVEIRTSA-N 2 1 366.531 0.886 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083524039 841123302 /nfs/dbraw/zinc/12/33/02/841123302.db2.gz FDRDJHDDTRPZBU-JQHSSLGASA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083524039 841123305 /nfs/dbraw/zinc/12/33/05/841123305.db2.gz FDRDJHDDTRPZBU-JQHSSLGASA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083524039 841123308 /nfs/dbraw/zinc/12/33/08/841123308.db2.gz FDRDJHDDTRPZBU-JQHSSLGASA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723643 841359013 /nfs/dbraw/zinc/35/90/13/841359013.db2.gz SXKFQILJXIDHTJ-IXDOHACOSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723643 841359022 /nfs/dbraw/zinc/35/90/22/841359022.db2.gz SXKFQILJXIDHTJ-IXDOHACOSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723643 841359033 /nfs/dbraw/zinc/35/90/33/841359033.db2.gz SXKFQILJXIDHTJ-IXDOHACOSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)C1 ZINC001083723643 841359036 /nfs/dbraw/zinc/35/90/36/841359036.db2.gz SXKFQILJXIDHTJ-IXDOHACOSA-N 2 1 353.507 0.693 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083733619 841375193 /nfs/dbraw/zinc/37/51/93/841375193.db2.gz WEILAYUAFCMDPF-BMFZPTHFSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083733619 841375202 /nfs/dbraw/zinc/37/52/02/841375202.db2.gz WEILAYUAFCMDPF-BMFZPTHFSA-N 2 1 351.447 0.543 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](O)C3)[C@@H]2C1 ZINC001275799904 861196137 /nfs/dbraw/zinc/19/61/37/861196137.db2.gz OUZNRUHSYLRYOZ-RRFJBIMHSA-N 2 1 350.488 0.551 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801164 861196208 /nfs/dbraw/zinc/19/62/08/861196208.db2.gz MGQLLIXABDUPGF-HKUYNNGSSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801164 861196213 /nfs/dbraw/zinc/19/62/13/861196213.db2.gz MGQLLIXABDUPGF-HKUYNNGSSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275801164 861196218 /nfs/dbraw/zinc/19/62/18/861196218.db2.gz MGQLLIXABDUPGF-HKUYNNGSSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275801164 861196225 /nfs/dbraw/zinc/19/62/25/861196225.db2.gz MGQLLIXABDUPGF-HKUYNNGSSA-N 2 1 351.491 0.689 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)C[N@@H+]3CC[C@@H](O)C3)(C1)CCC2 ZINC001275800346 861196452 /nfs/dbraw/zinc/19/64/52/861196452.db2.gz CKPKYQCHDZIMSK-BPQIPLTHSA-N 2 1 355.479 0.225 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)C[N@H+]3CC[C@@H](O)C3)(C1)CCC2 ZINC001275800346 861196467 /nfs/dbraw/zinc/19/64/67/861196467.db2.gz CKPKYQCHDZIMSK-BPQIPLTHSA-N 2 1 355.479 0.225 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083908398 841554966 /nfs/dbraw/zinc/55/49/66/841554966.db2.gz AXBFBQBGWKHMPP-JQHSSLGASA-N 2 1 353.507 0.695 20 0 FCADMP CN(C)CC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275845538 861225913 /nfs/dbraw/zinc/22/59/13/861225913.db2.gz YGCJUEYRPUNROC-IBGZPJMESA-N 2 1 351.539 0.110 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877803 861241447 /nfs/dbraw/zinc/24/14/47/861241447.db2.gz GEMDJTVFZLFJKE-DNVCBOLYSA-N 2 1 351.491 0.999 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878085 861241722 /nfs/dbraw/zinc/24/17/22/861241722.db2.gz GYTNUUJTSCEQSU-QFBILLFUSA-N 2 1 350.507 0.907 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778058 841915057 /nfs/dbraw/zinc/91/50/57/841915057.db2.gz CYSUQODGSLAEFP-BZUAXINKSA-N 2 1 367.515 0.050 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778058 841915059 /nfs/dbraw/zinc/91/50/59/841915059.db2.gz CYSUQODGSLAEFP-BZUAXINKSA-N 2 1 367.515 0.050 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971325 841974006 /nfs/dbraw/zinc/97/40/06/841974006.db2.gz YUDVWGNUDPZXHE-BBWFWOEESA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1)[NH+](C)C ZINC001085025214 841994154 /nfs/dbraw/zinc/99/41/54/841994154.db2.gz KJQZYIICNVEKPE-UWWQBHOKSA-N 2 1 350.507 0.774 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085050048 841999505 /nfs/dbraw/zinc/99/95/05/841999505.db2.gz SHEKSHSMMRISPW-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@H+](C[C@H]3CCOC3)[C@H]2C1 ZINC001085056918 842001395 /nfs/dbraw/zinc/00/13/95/842001395.db2.gz QYBYJVMKEFIZDU-KURKYZTESA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCOC3)[C@H]2C1 ZINC001085056918 842001408 /nfs/dbraw/zinc/00/14/08/842001408.db2.gz QYBYJVMKEFIZDU-KURKYZTESA-N 2 1 351.491 0.668 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)C1([NH+](C)C)CC1 ZINC001275941727 861264445 /nfs/dbraw/zinc/26/44/45/861264445.db2.gz OOYRWJUSNITQOI-BEFAXECRSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)O1 ZINC001085242661 842053918 /nfs/dbraw/zinc/05/39/18/842053918.db2.gz BOXKJCHEQGISRK-KLHDSHLOSA-N 2 1 350.467 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)O1 ZINC001085242661 842053930 /nfs/dbraw/zinc/05/39/30/842053930.db2.gz BOXKJCHEQGISRK-KLHDSHLOSA-N 2 1 350.467 0.014 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001085309437 842074199 /nfs/dbraw/zinc/07/41/99/842074199.db2.gz PHVFTACVYPDNRR-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085421993 842097775 /nfs/dbraw/zinc/09/77/75/842097775.db2.gz DKXWVVSQDQLUHH-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085424171 842098805 /nfs/dbraw/zinc/09/88/05/842098805.db2.gz AOINMNFJMXOTHS-BZUAXINKSA-N 2 1 368.503 0.643 20 0 FCADMP CCc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120468 842122039 /nfs/dbraw/zinc/12/20/39/842122039.db2.gz AJFNXPILJHTFHS-LNCBFAARSA-N 2 1 350.463 0.941 20 0 FCADMP CCc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120468 842122045 /nfs/dbraw/zinc/12/20/45/842122045.db2.gz AJFNXPILJHTFHS-LNCBFAARSA-N 2 1 350.463 0.941 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001086371738 842128406 /nfs/dbraw/zinc/12/84/06/842128406.db2.gz VXCPZICLUMGJNM-WRQOLXDDSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001086371192 842128662 /nfs/dbraw/zinc/12/86/62/842128662.db2.gz VMGCMLBTMOWPMA-QBPKDAKJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001086370157 842128688 /nfs/dbraw/zinc/12/86/88/842128688.db2.gz TWFCFYIHJFVNDK-HHARLNAUSA-N 2 1 350.507 0.820 20 0 FCADMP CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400260 842131169 /nfs/dbraw/zinc/13/11/69/842131169.db2.gz AJFNXPILJHTFHS-GKLJAUDBSA-N 2 1 350.463 0.941 20 0 FCADMP CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400260 842131171 /nfs/dbraw/zinc/13/11/71/842131171.db2.gz AJFNXPILJHTFHS-GKLJAUDBSA-N 2 1 350.463 0.941 20 0 FCADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664795 842145152 /nfs/dbraw/zinc/14/51/52/842145152.db2.gz DUIVDLIQPPSVKM-MJBXVCDLSA-N 2 1 369.897 0.779 20 0 FCADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664795 842145165 /nfs/dbraw/zinc/14/51/65/842145165.db2.gz DUIVDLIQPPSVKM-MJBXVCDLSA-N 2 1 369.897 0.779 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087034988 842231607 /nfs/dbraw/zinc/23/16/07/842231607.db2.gz GOXUIIKSDXAXAC-BPLDGKMQSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001087038350 842236510 /nfs/dbraw/zinc/23/65/10/842236510.db2.gz BGWNIGWPYJWZNR-FVQBIDKESA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001087038350 842236518 /nfs/dbraw/zinc/23/65/18/842236518.db2.gz BGWNIGWPYJWZNR-FVQBIDKESA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087055363 842252003 /nfs/dbraw/zinc/25/20/03/842252003.db2.gz IVARFCHVRWFANO-KBUPBQIOSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]C(C)C ZINC001087059875 842255118 /nfs/dbraw/zinc/25/51/18/842255118.db2.gz YNEUEFNSJAYHGR-BRWVUGGUSA-N 2 1 351.495 0.675 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083482 842276664 /nfs/dbraw/zinc/27/66/64/842276664.db2.gz HJIXIWMUKFKSDX-IIAWOOMASA-N 2 1 351.451 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087084489 842277311 /nfs/dbraw/zinc/27/73/11/842277311.db2.gz DTDWVKKSFHLCLK-VHDGCEQUSA-N 2 1 355.508 0.831 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001087671892 842397596 /nfs/dbraw/zinc/39/75/96/842397596.db2.gz VCDDTWNTZXTBNN-JZXOWHBKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CC(=O)N(C)C ZINC001087671892 842397608 /nfs/dbraw/zinc/39/76/08/842397608.db2.gz VCDDTWNTZXTBNN-JZXOWHBKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087828239 842442918 /nfs/dbraw/zinc/44/29/18/842442918.db2.gz FFMUCHAYQSTHEO-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087828239 842442923 /nfs/dbraw/zinc/44/29/23/842442923.db2.gz FFMUCHAYQSTHEO-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087828239 842442928 /nfs/dbraw/zinc/44/29/28/842442928.db2.gz FFMUCHAYQSTHEO-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001087828854 842443080 /nfs/dbraw/zinc/44/30/80/842443080.db2.gz XJNGZZRFGQZDFY-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001087828854 842443085 /nfs/dbraw/zinc/44/30/85/842443085.db2.gz XJNGZZRFGQZDFY-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001087828854 842443094 /nfs/dbraw/zinc/44/30/94/842443094.db2.gz XJNGZZRFGQZDFY-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001087828854 842443106 /nfs/dbraw/zinc/44/31/06/842443106.db2.gz XJNGZZRFGQZDFY-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972202 842485341 /nfs/dbraw/zinc/48/53/41/842485341.db2.gz QXAXJBUDDXUYRS-LTIDMASMSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972202 842485348 /nfs/dbraw/zinc/48/53/48/842485348.db2.gz QXAXJBUDDXUYRS-LTIDMASMSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972202 842485354 /nfs/dbraw/zinc/48/53/54/842485354.db2.gz QXAXJBUDDXUYRS-LTIDMASMSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088011235 842499152 /nfs/dbraw/zinc/49/91/52/842499152.db2.gz FHIYJDIJKBAPLH-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)CC[N@H+]1C ZINC001088082007 842526761 /nfs/dbraw/zinc/52/67/61/842526761.db2.gz PJSJTMQTQOFPTO-NXOAAHMSSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC[NH+]1C ZINC001088082007 842526764 /nfs/dbraw/zinc/52/67/64/842526764.db2.gz PJSJTMQTQOFPTO-NXOAAHMSSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC[NH+]1C ZINC001088082007 842526769 /nfs/dbraw/zinc/52/67/69/842526769.db2.gz PJSJTMQTQOFPTO-NXOAAHMSSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105967 842533620 /nfs/dbraw/zinc/53/36/20/842533620.db2.gz JOJHWVVBHZSDJZ-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105967 842533628 /nfs/dbraw/zinc/53/36/28/842533628.db2.gz JOJHWVVBHZSDJZ-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105967 842533634 /nfs/dbraw/zinc/53/36/34/842533634.db2.gz JOJHWVVBHZSDJZ-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088105967 842533640 /nfs/dbraw/zinc/53/36/40/842533640.db2.gz JOJHWVVBHZSDJZ-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153723 842546120 /nfs/dbraw/zinc/54/61/20/842546120.db2.gz HXUFSSBWLDSCTK-BBWFWOEESA-N 2 1 353.507 0.912 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212781 842563303 /nfs/dbraw/zinc/56/33/03/842563303.db2.gz PJMDPWVJJURIGH-SOLBZPMBSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088562953 842613594 /nfs/dbraw/zinc/61/35/94/842613594.db2.gz WFOMASTYQCWAFT-OWCLPIDISA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088562953 842613601 /nfs/dbraw/zinc/61/36/01/842613601.db2.gz WFOMASTYQCWAFT-OWCLPIDISA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088562953 842613607 /nfs/dbraw/zinc/61/36/07/842613607.db2.gz WFOMASTYQCWAFT-OWCLPIDISA-N 2 1 351.495 0.463 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001091804764 843102007 /nfs/dbraw/zinc/10/20/07/843102007.db2.gz SKRJOEKNBFUMCB-KUHUBIRLSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091804764 843102010 /nfs/dbraw/zinc/10/20/10/843102010.db2.gz SKRJOEKNBFUMCB-KUHUBIRLSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091804764 843102015 /nfs/dbraw/zinc/10/20/15/843102015.db2.gz SKRJOEKNBFUMCB-KUHUBIRLSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013324 843141520 /nfs/dbraw/zinc/14/15/20/843141520.db2.gz NRLOXFCTEGEQGH-BVGQSLNGSA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013324 843141521 /nfs/dbraw/zinc/14/15/21/843141521.db2.gz NRLOXFCTEGEQGH-BVGQSLNGSA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092013324 843141524 /nfs/dbraw/zinc/14/15/24/843141524.db2.gz NRLOXFCTEGEQGH-BVGQSLNGSA-N 2 1 354.470 0.465 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1)OC ZINC001092099379 843161108 /nfs/dbraw/zinc/16/11/08/843161108.db2.gz RRVTXNJBUHGVRK-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1)OC ZINC001092099379 843161118 /nfs/dbraw/zinc/16/11/18/843161118.db2.gz RRVTXNJBUHGVRK-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303213 843184022 /nfs/dbraw/zinc/18/40/22/843184022.db2.gz ZJQTYMYVAQEKRL-SUMDDJOVSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523143 843226386 /nfs/dbraw/zinc/22/63/86/843226386.db2.gz CHQPXXUZPPKWTN-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523143 843226398 /nfs/dbraw/zinc/22/63/98/843226398.db2.gz CHQPXXUZPPKWTN-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523143 843226406 /nfs/dbraw/zinc/22/64/06/843226406.db2.gz CHQPXXUZPPKWTN-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523143 843226414 /nfs/dbraw/zinc/22/64/14/843226414.db2.gz CHQPXXUZPPKWTN-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521870 843227071 /nfs/dbraw/zinc/22/70/71/843227071.db2.gz FYMFSPLGOXOAPP-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521870 843227080 /nfs/dbraw/zinc/22/70/80/843227080.db2.gz FYMFSPLGOXOAPP-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521870 843227089 /nfs/dbraw/zinc/22/70/89/843227089.db2.gz FYMFSPLGOXOAPP-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521870 843227099 /nfs/dbraw/zinc/22/70/99/843227099.db2.gz FYMFSPLGOXOAPP-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615774 843252305 /nfs/dbraw/zinc/25/23/05/843252305.db2.gz PEIIODIIRXBHSP-OWCLPIDISA-N 2 1 351.495 0.777 20 0 FCADMP COCOCCC[N@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276312092 861407053 /nfs/dbraw/zinc/40/70/53/861407053.db2.gz ISLLFDFHKBIWEC-KRWDZBQOSA-N 2 1 352.435 0.197 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193829 843404682 /nfs/dbraw/zinc/40/46/82/843404682.db2.gz MYSKZCPJPJJOJC-HZSPNIEDSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193829 843404686 /nfs/dbraw/zinc/40/46/86/843404686.db2.gz MYSKZCPJPJJOJC-HZSPNIEDSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193829 843404688 /nfs/dbraw/zinc/40/46/88/843404688.db2.gz MYSKZCPJPJJOJC-HZSPNIEDSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193829 843404691 /nfs/dbraw/zinc/40/46/91/843404691.db2.gz MYSKZCPJPJJOJC-HZSPNIEDSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093197298 843405357 /nfs/dbraw/zinc/40/53/57/843405357.db2.gz IOFBPOWNPFDUMN-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093197298 843405362 /nfs/dbraw/zinc/40/53/62/843405362.db2.gz IOFBPOWNPFDUMN-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093197298 843405365 /nfs/dbraw/zinc/40/53/65/843405365.db2.gz IOFBPOWNPFDUMN-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001093459612 843436993 /nfs/dbraw/zinc/43/69/93/843436993.db2.gz VDZAEPIQQKQZFX-JOCBIADPSA-N 2 1 350.463 0.150 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001093921410 843493295 /nfs/dbraw/zinc/49/32/95/843493295.db2.gz OWEDJPBENLZJPQ-FVQBIDKESA-N 2 1 368.503 0.310 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)C1 ZINC001094231797 843535858 /nfs/dbraw/zinc/53/58/58/843535858.db2.gz CBGBBBXEHGNMQE-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)C1 ZINC001094231797 843535862 /nfs/dbraw/zinc/53/58/62/843535862.db2.gz CBGBBBXEHGNMQE-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001094231968 843536024 /nfs/dbraw/zinc/53/60/24/843536024.db2.gz HENLDXYCGDSUPM-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001094231968 843536035 /nfs/dbraw/zinc/53/60/35/843536035.db2.gz HENLDXYCGDSUPM-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)C1 ZINC001094232368 843537478 /nfs/dbraw/zinc/53/74/78/843537478.db2.gz UOEXZRNBLGFAOS-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)C1 ZINC001094232368 843537484 /nfs/dbraw/zinc/53/74/84/843537484.db2.gz UOEXZRNBLGFAOS-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CO[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293237 843543018 /nfs/dbraw/zinc/54/30/18/843543018.db2.gz FRPCCUTURGTXKO-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP CO[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293237 843543028 /nfs/dbraw/zinc/54/30/28/843543028.db2.gz FRPCCUTURGTXKO-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404664 843913897 /nfs/dbraw/zinc/91/38/97/843913897.db2.gz RNJCFJHQCIGACU-BFYDXBDKSA-N 2 1 357.495 0.026 20 0 FCADMP CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404664 843913901 /nfs/dbraw/zinc/91/39/01/843913901.db2.gz RNJCFJHQCIGACU-BFYDXBDKSA-N 2 1 357.495 0.026 20 0 FCADMP CO[C@H](C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404664 843913906 /nfs/dbraw/zinc/91/39/06/843913906.db2.gz RNJCFJHQCIGACU-BFYDXBDKSA-N 2 1 357.495 0.026 20 0 FCADMP CO[C@H](C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404664 843913910 /nfs/dbraw/zinc/91/39/10/843913910.db2.gz RNJCFJHQCIGACU-BFYDXBDKSA-N 2 1 357.495 0.026 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223326 843979312 /nfs/dbraw/zinc/97/93/12/843979312.db2.gz NXDDFWVHILZZAE-MGPQQGTHSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223326 843979315 /nfs/dbraw/zinc/97/93/15/843979315.db2.gz NXDDFWVHILZZAE-MGPQQGTHSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223384 843979357 /nfs/dbraw/zinc/97/93/57/843979357.db2.gz PWZUXLPMXQZYDM-JHJVBQTASA-N 2 1 360.384 0.388 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223384 843979362 /nfs/dbraw/zinc/97/93/62/843979362.db2.gz PWZUXLPMXQZYDM-JHJVBQTASA-N 2 1 360.384 0.388 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099260385 843994946 /nfs/dbraw/zinc/99/49/46/843994946.db2.gz HACXTWGJNTYWCZ-UTUOFQBUSA-N 2 1 350.385 0.325 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099260385 843994952 /nfs/dbraw/zinc/99/49/52/843994952.db2.gz HACXTWGJNTYWCZ-UTUOFQBUSA-N 2 1 350.385 0.325 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086688 844699109 /nfs/dbraw/zinc/69/91/09/844699109.db2.gz MYJHJKFTUOIWQV-QGPMSJSTSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374527 844744463 /nfs/dbraw/zinc/74/44/63/844744463.db2.gz GVHGAUVWEFBUFV-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396994 844750746 /nfs/dbraw/zinc/75/07/46/844750746.db2.gz SMZYWVHERALTDS-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398241 844750996 /nfs/dbraw/zinc/75/09/96/844750996.db2.gz JFCGSHZOFAMBHZ-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398063 844751499 /nfs/dbraw/zinc/75/14/99/844751499.db2.gz BCGXXRPCTNLSOB-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435879 844757000 /nfs/dbraw/zinc/75/70/00/844757000.db2.gz CGSQIXMMLQJQHB-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435879 844757011 /nfs/dbraw/zinc/75/70/11/844757011.db2.gz CGSQIXMMLQJQHB-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435879 844757017 /nfs/dbraw/zinc/75/70/17/844757017.db2.gz CGSQIXMMLQJQHB-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435880 844757557 /nfs/dbraw/zinc/75/75/57/844757557.db2.gz CGSQIXMMLQJQHB-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435880 844757561 /nfs/dbraw/zinc/75/75/61/844757561.db2.gz CGSQIXMMLQJQHB-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001103435880 844757569 /nfs/dbraw/zinc/75/75/69/844757569.db2.gz CGSQIXMMLQJQHB-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642196 844793357 /nfs/dbraw/zinc/79/33/57/844793357.db2.gz UFPGEQLSUKEROK-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642148 844793698 /nfs/dbraw/zinc/79/36/98/844793698.db2.gz SCELPFFPAAAUJA-HZPDHXFCSA-N 2 1 351.495 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103642936 844793757 /nfs/dbraw/zinc/79/37/57/844793757.db2.gz BBXISGKSCNZKGO-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103642936 844793760 /nfs/dbraw/zinc/79/37/60/844793760.db2.gz BBXISGKSCNZKGO-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103642936 844793763 /nfs/dbraw/zinc/79/37/63/844793763.db2.gz BBXISGKSCNZKGO-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643977 844793931 /nfs/dbraw/zinc/79/39/31/844793931.db2.gz ZVCHBMCDGLTVDS-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643977 844793940 /nfs/dbraw/zinc/79/39/40/844793940.db2.gz ZVCHBMCDGLTVDS-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643977 844793949 /nfs/dbraw/zinc/79/39/49/844793949.db2.gz ZVCHBMCDGLTVDS-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643873 844794146 /nfs/dbraw/zinc/79/41/46/844794146.db2.gz UKTCPSRIEUFTES-UKRRQHHQSA-N 2 1 369.535 0.999 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103663695 844798019 /nfs/dbraw/zinc/79/80/19/844798019.db2.gz OOVGORXFTQRLNC-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103663695 844798021 /nfs/dbraw/zinc/79/80/21/844798021.db2.gz OOVGORXFTQRLNC-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103663695 844798025 /nfs/dbraw/zinc/79/80/25/844798025.db2.gz OOVGORXFTQRLNC-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663529 844798159 /nfs/dbraw/zinc/79/81/59/844798159.db2.gz GIKCHUFOURIZNZ-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663529 844798163 /nfs/dbraw/zinc/79/81/63/844798163.db2.gz GIKCHUFOURIZNZ-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663529 844798166 /nfs/dbraw/zinc/79/81/66/844798166.db2.gz GIKCHUFOURIZNZ-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722482 844806926 /nfs/dbraw/zinc/80/69/26/844806926.db2.gz PDVHFRIUAXJWPS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721371 844807797 /nfs/dbraw/zinc/80/77/97/844807797.db2.gz PQKJJLIGTKLCOW-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721371 844807803 /nfs/dbraw/zinc/80/78/03/844807803.db2.gz PQKJJLIGTKLCOW-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721371 844807807 /nfs/dbraw/zinc/80/78/07/844807807.db2.gz PQKJJLIGTKLCOW-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587764 844922663 /nfs/dbraw/zinc/92/26/63/844922663.db2.gz CVHKPJOQXGXJTR-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001104682179 844932286 /nfs/dbraw/zinc/93/22/86/844932286.db2.gz FHIWRCWYIKSDBN-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001104680555 844932933 /nfs/dbraw/zinc/93/29/33/844932933.db2.gz SIOZMKBOCGZWLX-ARFHVFGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001105945115 845064445 /nfs/dbraw/zinc/06/44/45/845064445.db2.gz LGXARUMHQFTZHJ-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC1CCC1 ZINC001105973930 845071992 /nfs/dbraw/zinc/07/19/92/845071992.db2.gz HLYCWZQFNGLAAX-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC1CCC1 ZINC001105973930 845071999 /nfs/dbraw/zinc/07/19/99/845071999.db2.gz HLYCWZQFNGLAAX-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1 ZINC001105974040 845072053 /nfs/dbraw/zinc/07/20/53/845072053.db2.gz LKFCKKLRAWZUQM-FMKPAKJESA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1 ZINC001105974040 845072063 /nfs/dbraw/zinc/07/20/63/845072063.db2.gz LKFCKKLRAWZUQM-FMKPAKJESA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)CC[N@H+]1C ZINC001106148387 845115448 /nfs/dbraw/zinc/11/54/48/845115448.db2.gz MUXOMVSTQSKOTE-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245933 845141977 /nfs/dbraw/zinc/14/19/77/845141977.db2.gz GJJFZOBVCIMUCT-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CCOCCO ZINC001106249563 845143020 /nfs/dbraw/zinc/14/30/20/845143020.db2.gz KVVGUXXCLCZMBQ-BZUAXINKSA-N 2 1 350.463 0.454 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106322069 845153956 /nfs/dbraw/zinc/15/39/56/845153956.db2.gz IBXZIIIPIPFVLK-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106340174 845159363 /nfs/dbraw/zinc/15/93/63/845159363.db2.gz NXSKIDWZJBYHDF-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106354336 845161323 /nfs/dbraw/zinc/16/13/23/845161323.db2.gz VHSMJYZPRLHLFU-FRRDWIJNSA-N 2 1 351.451 0.168 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106357732 845163405 /nfs/dbraw/zinc/16/34/05/845163405.db2.gz LPXYVPGXCOSHLF-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)C1 ZINC001106665998 845218569 /nfs/dbraw/zinc/21/85/69/845218569.db2.gz DNMMWAGQGZMMFT-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)C1 ZINC001106666769 845220662 /nfs/dbraw/zinc/22/06/62/845220662.db2.gz UJYDGATWIOTFMA-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106840320 845265342 /nfs/dbraw/zinc/26/53/42/845265342.db2.gz HUHTZECLCCIHEJ-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106840177 845265774 /nfs/dbraw/zinc/26/57/74/845265774.db2.gz BUFOWPJLJSVBPU-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106874847 845276341 /nfs/dbraw/zinc/27/63/41/845276341.db2.gz VJHMTMXPKSPELS-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106904004 845282626 /nfs/dbraw/zinc/28/26/26/845282626.db2.gz VTEYEHVMPYFXGP-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106908168 845284366 /nfs/dbraw/zinc/28/43/66/845284366.db2.gz TVFHBVCPEXPDPC-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981281 845299773 /nfs/dbraw/zinc/29/97/73/845299773.db2.gz HZENOOMZCHQPLC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981421 845300142 /nfs/dbraw/zinc/30/01/42/845300142.db2.gz MYNOTCGSHJXHNH-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106981438 845300170 /nfs/dbraw/zinc/30/01/70/845300170.db2.gz NYGZOJMQPXMGEE-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001107040482 845316886 /nfs/dbraw/zinc/31/68/86/845316886.db2.gz GCOJCEVSQUWRMA-OWCLPIDISA-N 2 1 359.536 0.445 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546934 845396354 /nfs/dbraw/zinc/39/63/54/845396354.db2.gz UCGRLMSLWDIJNY-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546934 845396363 /nfs/dbraw/zinc/39/63/63/845396363.db2.gz UCGRLMSLWDIJNY-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546934 845396371 /nfs/dbraw/zinc/39/63/71/845396371.db2.gz UCGRLMSLWDIJNY-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608444 845407214 /nfs/dbraw/zinc/40/72/14/845407214.db2.gz RQOGQMFSOVVGMT-LZLYRXPVSA-N 2 1 351.491 0.450 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633132 845412301 /nfs/dbraw/zinc/41/23/01/845412301.db2.gz LKLKPGQUNHRWJG-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107643599 845414758 /nfs/dbraw/zinc/41/47/58/845414758.db2.gz OGXSIXUYJSTHHP-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107646117 845415000 /nfs/dbraw/zinc/41/50/00/845415000.db2.gz CUDLMLNQLNHYPO-HHXXYDBFSA-N 2 1 350.507 0.953 20 0 FCADMP CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951577 845417949 /nfs/dbraw/zinc/41/79/49/845417949.db2.gz SICVYCGECJSMPP-ZIFCJYIRSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951577 845417954 /nfs/dbraw/zinc/41/79/54/845417954.db2.gz SICVYCGECJSMPP-ZIFCJYIRSA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001276756451 861583519 /nfs/dbraw/zinc/58/35/19/861583519.db2.gz QWYMNCMQMMHHNA-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP C[NH+]1CCC([N@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001276756451 861583533 /nfs/dbraw/zinc/58/35/33/861583533.db2.gz QWYMNCMQMMHHNA-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP C[NH+]1CCC([N@@H+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001276756452 861583743 /nfs/dbraw/zinc/58/37/43/861583743.db2.gz QWYMNCMQMMHHNA-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP C[NH+]1CCC([N@H+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001276756452 861583754 /nfs/dbraw/zinc/58/37/54/861583754.db2.gz QWYMNCMQMMHHNA-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442904 845655105 /nfs/dbraw/zinc/65/51/05/845655105.db2.gz LWOSFVAYITWEGQ-UHDSXZAQSA-N 2 1 355.479 0.090 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442904 845655112 /nfs/dbraw/zinc/65/51/12/845655112.db2.gz LWOSFVAYITWEGQ-UHDSXZAQSA-N 2 1 355.479 0.090 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109442904 845655117 /nfs/dbraw/zinc/65/51/17/845655117.db2.gz LWOSFVAYITWEGQ-UHDSXZAQSA-N 2 1 355.479 0.090 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109442904 845655125 /nfs/dbraw/zinc/65/51/25/845655125.db2.gz LWOSFVAYITWEGQ-UHDSXZAQSA-N 2 1 355.479 0.090 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109635703 845701355 /nfs/dbraw/zinc/70/13/55/845701355.db2.gz OABQTUJIQDGGCR-BDXSIMOUSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109635703 845701366 /nfs/dbraw/zinc/70/13/66/845701366.db2.gz OABQTUJIQDGGCR-BDXSIMOUSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109635703 845701372 /nfs/dbraw/zinc/70/13/72/845701372.db2.gz OABQTUJIQDGGCR-BDXSIMOUSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109673332 845710780 /nfs/dbraw/zinc/71/07/80/845710780.db2.gz IZVHKMNZHKYWND-MQYQWHSLSA-N 2 1 367.412 0.599 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001109733610 845724512 /nfs/dbraw/zinc/72/45/12/845724512.db2.gz YDDKZYPABBUDFK-UGUYLWEFSA-N 2 1 353.511 0.756 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001109733610 845724516 /nfs/dbraw/zinc/72/45/16/845724516.db2.gz YDDKZYPABBUDFK-UGUYLWEFSA-N 2 1 353.511 0.756 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCOC1 ZINC001109847782 845747020 /nfs/dbraw/zinc/74/70/20/845747020.db2.gz HCSDNRIMILMGST-MHORFTMASA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCOC1 ZINC001109847782 845747027 /nfs/dbraw/zinc/74/70/27/845747027.db2.gz HCSDNRIMILMGST-MHORFTMASA-N 2 1 351.491 0.857 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001109932178 845761871 /nfs/dbraw/zinc/76/18/71/845761871.db2.gz DPVPZTOPTBNZFL-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001109932178 845761873 /nfs/dbraw/zinc/76/18/73/845761873.db2.gz DPVPZTOPTBNZFL-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001109932178 845761880 /nfs/dbraw/zinc/76/18/80/845761880.db2.gz DPVPZTOPTBNZFL-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975867 845769725 /nfs/dbraw/zinc/76/97/25/845769725.db2.gz HZZURTQJSMFKNA-NCOADZHNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975867 845769732 /nfs/dbraw/zinc/76/97/32/845769732.db2.gz HZZURTQJSMFKNA-NCOADZHNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975867 845769737 /nfs/dbraw/zinc/76/97/37/845769737.db2.gz HZZURTQJSMFKNA-NCOADZHNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975867 845769742 /nfs/dbraw/zinc/76/97/42/845769742.db2.gz HZZURTQJSMFKNA-NCOADZHNSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110002526 845774602 /nfs/dbraw/zinc/77/46/02/845774602.db2.gz KPFVDCYFPZFLDP-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110002526 845774607 /nfs/dbraw/zinc/77/46/07/845774607.db2.gz KPFVDCYFPZFLDP-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001110014977 845777230 /nfs/dbraw/zinc/77/72/30/845777230.db2.gz QTPSSTLRFQHIAF-QPSCCSFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001110014977 845777236 /nfs/dbraw/zinc/77/72/36/845777236.db2.gz QTPSSTLRFQHIAF-QPSCCSFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110014977 845777242 /nfs/dbraw/zinc/77/72/42/845777242.db2.gz QTPSSTLRFQHIAF-QPSCCSFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110014977 845777248 /nfs/dbraw/zinc/77/72/48/845777248.db2.gz QTPSSTLRFQHIAF-QPSCCSFWSA-N 2 1 350.463 0.245 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001110159807 845809415 /nfs/dbraw/zinc/80/94/15/845809415.db2.gz XMOFWMKUQMINFP-NCOADZHNSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110159807 845809419 /nfs/dbraw/zinc/80/94/19/845809419.db2.gz XMOFWMKUQMINFP-NCOADZHNSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110159807 845809421 /nfs/dbraw/zinc/80/94/21/845809421.db2.gz XMOFWMKUQMINFP-NCOADZHNSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001276796079 861613104 /nfs/dbraw/zinc/61/31/04/861613104.db2.gz VUIJPDQBQMZILS-APWZRJJASA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565783 845920556 /nfs/dbraw/zinc/92/05/56/845920556.db2.gz NHDWUHXTNDHIBR-TWMKSMIVSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110658041 845943481 /nfs/dbraw/zinc/94/34/81/845943481.db2.gz KBMNZXHGIWOBOO-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001110658041 845943487 /nfs/dbraw/zinc/94/34/87/845943487.db2.gz KBMNZXHGIWOBOO-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001110658041 845943488 /nfs/dbraw/zinc/94/34/88/845943488.db2.gz KBMNZXHGIWOBOO-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)C12CCC[NH+](CCC1)C2 ZINC001110709555 845953829 /nfs/dbraw/zinc/95/38/29/845953829.db2.gz CTFHFFHPKGVBBF-ZACQAIPSSA-N 2 1 351.491 0.593 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001110981146 846007483 /nfs/dbraw/zinc/00/74/83/846007483.db2.gz JSWPEWQOOYGTGH-OAGGEKHMSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001110981146 846007484 /nfs/dbraw/zinc/00/74/84/846007484.db2.gz JSWPEWQOOYGTGH-OAGGEKHMSA-N 2 1 357.520 0.484 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1 ZINC001111154116 846049470 /nfs/dbraw/zinc/04/94/70/846049470.db2.gz ZIAOZBAIFFYUJJ-KURKYZTESA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC1CC1 ZINC001111154116 846049472 /nfs/dbraw/zinc/04/94/72/846049472.db2.gz ZIAOZBAIFFYUJJ-KURKYZTESA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F ZINC001111277566 846076526 /nfs/dbraw/zinc/07/65/26/846076526.db2.gz XVDRPMMEHXIDFG-SYQHCUMBSA-N 2 1 367.412 0.599 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001111408051 846099168 /nfs/dbraw/zinc/09/91/68/846099168.db2.gz GNKKLFWMZXRWPB-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001111408051 846099171 /nfs/dbraw/zinc/09/91/71/846099171.db2.gz GNKKLFWMZXRWPB-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001111767313 846195290 /nfs/dbraw/zinc/19/52/90/846195290.db2.gz XZKSEYBQWGJOEW-MPGHIAIKSA-N 2 1 356.486 0.725 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001111767313 846195292 /nfs/dbraw/zinc/19/52/92/846195292.db2.gz XZKSEYBQWGJOEW-MPGHIAIKSA-N 2 1 356.486 0.725 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111807783 846218449 /nfs/dbraw/zinc/21/84/49/846218449.db2.gz DRRVSPSQCDVFLS-WMZOPIPTSA-N 2 1 350.463 0.825 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111807783 846218462 /nfs/dbraw/zinc/21/84/62/846218462.db2.gz DRRVSPSQCDVFLS-WMZOPIPTSA-N 2 1 350.463 0.825 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870834 846240723 /nfs/dbraw/zinc/24/07/23/846240723.db2.gz PIWOVEFGOMPWFR-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870834 846240735 /nfs/dbraw/zinc/24/07/35/846240735.db2.gz PIWOVEFGOMPWFR-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870834 846240747 /nfs/dbraw/zinc/24/07/47/846240747.db2.gz PIWOVEFGOMPWFR-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915208 846260079 /nfs/dbraw/zinc/26/00/79/846260079.db2.gz RXSSNJZOSJAAKY-LNLFQRSKSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939609 846270664 /nfs/dbraw/zinc/27/06/64/846270664.db2.gz JAMUMMJYTPSMRH-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111939609 846270673 /nfs/dbraw/zinc/27/06/73/846270673.db2.gz JAMUMMJYTPSMRH-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111939609 846270682 /nfs/dbraw/zinc/27/06/82/846270682.db2.gz JAMUMMJYTPSMRH-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111984776 846281877 /nfs/dbraw/zinc/28/18/77/846281877.db2.gz OFXRMPGXYQKSMN-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111984776 846281889 /nfs/dbraw/zinc/28/18/89/846281889.db2.gz OFXRMPGXYQKSMN-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004645 846290202 /nfs/dbraw/zinc/29/02/02/846290202.db2.gz KWFXMJFZUTXUFH-SCTDSRPQSA-N 2 1 353.507 0.840 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112158838 846424277 /nfs/dbraw/zinc/42/42/77/846424277.db2.gz AOIUDMJODDAXMN-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112166973 846431192 /nfs/dbraw/zinc/43/11/92/846431192.db2.gz BCJOGEKSORTSFL-IJLUTSLNSA-N 2 1 366.428 0.817 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112166973 846431196 /nfs/dbraw/zinc/43/11/96/846431196.db2.gz BCJOGEKSORTSFL-IJLUTSLNSA-N 2 1 366.428 0.817 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112182185 846441772 /nfs/dbraw/zinc/44/17/72/846441772.db2.gz UBITZSZPAMDTER-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112211966 846469083 /nfs/dbraw/zinc/46/90/83/846469083.db2.gz GFAANGRWDGMBOZ-YNEHKIRRSA-N 2 1 366.428 0.782 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112285048 846487975 /nfs/dbraw/zinc/48/79/75/846487975.db2.gz JZGPAYNOCWSQLS-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112396844 846500925 /nfs/dbraw/zinc/50/09/25/846500925.db2.gz GYUQPEQDOVLOSS-FCEWJHQRSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2)C(N)=O ZINC001112401623 846500948 /nfs/dbraw/zinc/50/09/48/846500948.db2.gz OUGHHSGICMOGQO-GMBSWORKSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112444347 846505995 /nfs/dbraw/zinc/50/59/95/846505995.db2.gz QETSFKHTBYNADT-BXWFABGCSA-N 2 1 350.507 0.810 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470145 846507390 /nfs/dbraw/zinc/50/73/90/846507390.db2.gz DSMZMJGMDGFLIJ-JZXOWHBKSA-N 2 1 350.463 0.417 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112568061 846526349 /nfs/dbraw/zinc/52/63/49/846526349.db2.gz VSQQWZUHAYEDIL-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298639 846549057 /nfs/dbraw/zinc/54/90/57/846549057.db2.gz OELVBFVDPUVKMR-NPCUJANDSA-N 2 1 350.507 0.678 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298639 846549066 /nfs/dbraw/zinc/54/90/66/846549066.db2.gz OELVBFVDPUVKMR-NPCUJANDSA-N 2 1 350.507 0.678 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298639 846549076 /nfs/dbraw/zinc/54/90/76/846549076.db2.gz OELVBFVDPUVKMR-NPCUJANDSA-N 2 1 350.507 0.678 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298639 846549081 /nfs/dbraw/zinc/54/90/81/846549081.db2.gz OELVBFVDPUVKMR-NPCUJANDSA-N 2 1 350.507 0.678 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114303730 846549873 /nfs/dbraw/zinc/54/98/73/846549873.db2.gz CXBSOIXVSNBUFM-SUJAAXHWSA-N 2 1 357.520 0.198 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114303730 846549883 /nfs/dbraw/zinc/54/98/83/846549883.db2.gz CXBSOIXVSNBUFM-SUJAAXHWSA-N 2 1 357.520 0.198 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114303730 846549889 /nfs/dbraw/zinc/54/98/89/846549889.db2.gz CXBSOIXVSNBUFM-SUJAAXHWSA-N 2 1 357.520 0.198 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114303730 846549900 /nfs/dbraw/zinc/54/99/00/846549900.db2.gz CXBSOIXVSNBUFM-SUJAAXHWSA-N 2 1 357.520 0.198 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119483076 847858689 /nfs/dbraw/zinc/85/86/89/847858689.db2.gz NWVUWSIBTDXDNA-DLBZAZTESA-N 2 1 353.511 0.306 20 0 FCADMP CC(C)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134234 848321463 /nfs/dbraw/zinc/32/14/63/848321463.db2.gz ZRHOELNFSRTSFS-ITFIPKOWSA-N 2 1 350.507 0.868 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N(C)C)C3)CC[N@H+]1C ZINC001121134236 848321683 /nfs/dbraw/zinc/32/16/83/848321683.db2.gz ZTMZHMVNWHEUSM-FJGTUQKNSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001121133940 848321703 /nfs/dbraw/zinc/32/17/03/848321703.db2.gz LFFGXDQNKIHXSP-WENYZVDWSA-N 2 1 371.547 0.778 20 0 FCADMP COC[C@@H](O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001277489378 861898092 /nfs/dbraw/zinc/89/80/92/861898092.db2.gz IFAFYCGLMFOTFP-IXDOHACOSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCC(C)CC1 ZINC001123713223 848628753 /nfs/dbraw/zinc/62/87/53/848628753.db2.gz HVPCEEMDIDKDIN-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCC(C)CC1 ZINC001123713223 848628756 /nfs/dbraw/zinc/62/87/56/848628756.db2.gz HVPCEEMDIDKDIN-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC[N@H+]1C ZINC001127644267 848730624 /nfs/dbraw/zinc/73/06/24/848730624.db2.gz XLAXWFWXFXTNQJ-UKPHBRMFSA-N 2 1 353.438 0.611 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652900 848731264 /nfs/dbraw/zinc/73/12/64/848731264.db2.gz GXAIGVDCWPTDQK-IIAWOOMASA-N 2 1 366.531 0.841 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129205341 848818339 /nfs/dbraw/zinc/81/83/39/848818339.db2.gz UJANBMDXKIBXNL-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129205341 848818344 /nfs/dbraw/zinc/81/83/44/848818344.db2.gz UJANBMDXKIBXNL-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369807 848835402 /nfs/dbraw/zinc/83/54/02/848835402.db2.gz HLDUSBGDLRYOSR-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369807 848835404 /nfs/dbraw/zinc/83/54/04/848835404.db2.gz HLDUSBGDLRYOSR-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369807 848835406 /nfs/dbraw/zinc/83/54/06/848835406.db2.gz HLDUSBGDLRYOSR-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837567 848902049 /nfs/dbraw/zinc/90/20/49/848902049.db2.gz FQYZBCQOJIYMHN-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129837467 848902257 /nfs/dbraw/zinc/90/22/57/848902257.db2.gz DXYGFOYTIQLWRQ-PMPSAXMXSA-N 2 1 352.458 0.852 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894310 848910086 /nfs/dbraw/zinc/91/00/86/848910086.db2.gz ACXZSOQXPDGLMZ-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnc(C(F)(F)F)nc2)O1 ZINC001130182336 848960644 /nfs/dbraw/zinc/96/06/44/848960644.db2.gz CPERCZFCIBFNCN-ZYHUDNBSSA-N 2 1 361.368 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnc(C(F)(F)F)nc2)O1 ZINC001130182336 848960647 /nfs/dbraw/zinc/96/06/47/848960647.db2.gz CPERCZFCIBFNCN-ZYHUDNBSSA-N 2 1 361.368 0.420 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2cccs2)O1 ZINC001130184350 848962982 /nfs/dbraw/zinc/96/29/82/848962982.db2.gz MQRSLOCWNUVRCN-UKRRQHHQSA-N 2 1 368.503 0.131 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2cccs2)O1 ZINC001130184350 848962985 /nfs/dbraw/zinc/96/29/85/848962985.db2.gz MQRSLOCWNUVRCN-UKRRQHHQSA-N 2 1 368.503 0.131 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1cccs1 ZINC001130184411 848963675 /nfs/dbraw/zinc/96/36/75/848963675.db2.gz PBIJTQKMVKBERT-MGPQQGTHSA-N 2 1 368.503 0.350 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1cccs1 ZINC001130184411 848963681 /nfs/dbraw/zinc/96/36/81/848963681.db2.gz PBIJTQKMVKBERT-MGPQQGTHSA-N 2 1 368.503 0.350 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130734504 849030558 /nfs/dbraw/zinc/03/05/58/849030558.db2.gz UNWTWIDBPBXFRP-DOTOQJQBSA-N 2 1 351.495 0.681 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131020042 849071493 /nfs/dbraw/zinc/07/14/93/849071493.db2.gz JFOAXECEAQVKNW-HUUCEWRRSA-N 2 1 351.495 0.417 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316350 849095124 /nfs/dbraw/zinc/09/51/24/849095124.db2.gz FZGXHTXBZCQIBJ-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131316350 849095131 /nfs/dbraw/zinc/09/51/31/849095131.db2.gz FZGXHTXBZCQIBJ-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131316350 849095141 /nfs/dbraw/zinc/09/51/41/849095141.db2.gz FZGXHTXBZCQIBJ-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCC)C[C@H]32)C1 ZINC001131316737 849096581 /nfs/dbraw/zinc/09/65/81/849096581.db2.gz UDLNGVSSPUEACM-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCC)C[C@H]32)C1 ZINC001131316737 849096583 /nfs/dbraw/zinc/09/65/83/849096583.db2.gz UDLNGVSSPUEACM-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCC)C[C@H]32)C1 ZINC001131316737 849096586 /nfs/dbraw/zinc/09/65/86/849096586.db2.gz UDLNGVSSPUEACM-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3ccc(F)nc3)CC[C@@H]2C1 ZINC001137738038 849280685 /nfs/dbraw/zinc/28/06/85/849280685.db2.gz JLAURDZAGQXNEH-HZPDHXFCSA-N 2 1 350.438 0.832 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3ccc(F)nc3)CC[C@@H]2C1 ZINC001137738038 849280690 /nfs/dbraw/zinc/28/06/90/849280690.db2.gz JLAURDZAGQXNEH-HZPDHXFCSA-N 2 1 350.438 0.832 20 0 FCADMP COCCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734454 849646587 /nfs/dbraw/zinc/64/65/87/849646587.db2.gz XVFGDAVZPPDLMW-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP COCCOCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734454 849646589 /nfs/dbraw/zinc/64/65/89/849646589.db2.gz XVFGDAVZPPDLMW-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP COCCOCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734454 849646591 /nfs/dbraw/zinc/64/65/91/849646591.db2.gz XVFGDAVZPPDLMW-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2ncc(Br)cn2n1 ZINC001150797623 849670469 /nfs/dbraw/zinc/67/04/69/849670469.db2.gz DXZCKDYRTLKXRK-UHFFFAOYSA-N 2 1 354.212 0.566 20 0 FCADMP CC[N@H+](Cc1cn(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997912 849772673 /nfs/dbraw/zinc/77/26/73/849772673.db2.gz DKRPJFMMFLOWOW-CKEIUWERSA-N 2 1 351.495 0.774 20 0 FCADMP CC[N@@H+](Cc1cn(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997912 849772680 /nfs/dbraw/zinc/77/26/80/849772680.db2.gz DKRPJFMMFLOWOW-CKEIUWERSA-N 2 1 351.495 0.774 20 0 FCADMP CC[NH+](Cc1cn(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997912 849772684 /nfs/dbraw/zinc/77/26/84/849772684.db2.gz DKRPJFMMFLOWOW-CKEIUWERSA-N 2 1 351.495 0.774 20 0 FCADMP CC[NH+](Cc1cn(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997912 849772691 /nfs/dbraw/zinc/77/26/91/849772691.db2.gz DKRPJFMMFLOWOW-CKEIUWERSA-N 2 1 351.495 0.774 20 0 FCADMP CN1CCc2nc(Cl)nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c2C1 ZINC001155382809 849850055 /nfs/dbraw/zinc/85/00/55/849850055.db2.gz OUVGTLAOWVEACM-CYBMUJFWSA-N 2 1 350.898 0.977 20 0 FCADMP CCNS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc1 ZINC001155384935 849850355 /nfs/dbraw/zinc/85/03/55/849850355.db2.gz YLFQUFHKLSGAHD-CQSZACIVSA-N 2 1 353.492 0.239 20 0 FCADMP COC(OC)c1c(CO)ccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155376780 849850415 /nfs/dbraw/zinc/85/04/15/849850415.db2.gz PBBKGIKCHYCNAC-HNNXBMFYSA-N 2 1 350.463 0.725 20 0 FCADMP CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc1 ZINC001155382401 849850630 /nfs/dbraw/zinc/85/06/30/849850630.db2.gz NDBMGMCKYGYPPC-OAHLLOKOSA-N 2 1 367.519 0.628 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591049 849916388 /nfs/dbraw/zinc/91/63/88/849916388.db2.gz SAWVTHHCLYIYJC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)CC1=O ZINC001156591049 849916399 /nfs/dbraw/zinc/91/63/99/849916399.db2.gz SAWVTHHCLYIYJC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)CC1=O ZINC001156591049 849916410 /nfs/dbraw/zinc/91/64/10/849916410.db2.gz SAWVTHHCLYIYJC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@H+]1C ZINC001158403487 850048019 /nfs/dbraw/zinc/04/80/19/850048019.db2.gz IWIULBSERVJORM-MELADBBJSA-N 2 1 369.428 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158412133 850048219 /nfs/dbraw/zinc/04/82/19/850048219.db2.gz NUCCHFDGZWXVJE-LSDHHAIUSA-N 2 1 351.499 0.799 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])COC(C)(C)C)CC[C@@H]2C1 ZINC001159637546 850125964 /nfs/dbraw/zinc/12/59/64/850125964.db2.gz ZDAQFIGZZULQIB-OWCLPIDISA-N 2 1 357.495 0.325 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065517 850151719 /nfs/dbraw/zinc/15/17/19/850151719.db2.gz KJQLSJVYFGYVAY-LBPRGKRZSA-N 2 1 350.373 0.897 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](C[C@@H](O)COC)CC2)CC[N@H+]1C ZINC001160168946 850156689 /nfs/dbraw/zinc/15/66/89/850156689.db2.gz DRGNYRSTSZICFB-FGTMMUONSA-N 2 1 353.507 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](C[C@@H](O)COC)CC2)CC[NH+]1C ZINC001160168946 850156700 /nfs/dbraw/zinc/15/67/00/850156700.db2.gz DRGNYRSTSZICFB-FGTMMUONSA-N 2 1 353.507 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](C[C@@H](O)COC)CC2)CC[NH+]1C ZINC001160168946 850156705 /nfs/dbraw/zinc/15/67/05/850156705.db2.gz DRGNYRSTSZICFB-FGTMMUONSA-N 2 1 353.507 0.862 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466114 850173562 /nfs/dbraw/zinc/17/35/62/850173562.db2.gz BFAKYEPALHDUHM-FVQBIDKESA-N 2 1 352.479 0.108 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466114 850173569 /nfs/dbraw/zinc/17/35/69/850173569.db2.gz BFAKYEPALHDUHM-FVQBIDKESA-N 2 1 352.479 0.108 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466114 850173575 /nfs/dbraw/zinc/17/35/75/850173575.db2.gz BFAKYEPALHDUHM-FVQBIDKESA-N 2 1 352.479 0.108 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466114 850173578 /nfs/dbraw/zinc/17/35/78/850173578.db2.gz BFAKYEPALHDUHM-FVQBIDKESA-N 2 1 352.479 0.108 20 0 FCADMP CC(C)N(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001160862325 850209578 /nfs/dbraw/zinc/20/95/78/850209578.db2.gz NCYNOGCCMHWHCE-HZPDHXFCSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)N(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001160862325 850209593 /nfs/dbraw/zinc/20/95/93/850209593.db2.gz NCYNOGCCMHWHCE-HZPDHXFCSA-N 2 1 356.511 0.447 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152283 850233946 /nfs/dbraw/zinc/23/39/46/850233946.db2.gz FOXBRQIEYYQQJY-UHFFFAOYSA-N 3 1 360.384 0.519 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001161174928 850236998 /nfs/dbraw/zinc/23/69/98/850236998.db2.gz HAXHLQYGBOXMLE-XHSDSOJGSA-N 2 1 369.531 0.201 20 0 FCADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196198 850238724 /nfs/dbraw/zinc/23/87/24/850238724.db2.gz ANGAOTYGJOMZTB-KURKYZTESA-N 3 1 350.507 0.287 20 0 FCADMP [NH3+][C@H](CC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)C1CC1 ZINC001161197496 850239270 /nfs/dbraw/zinc/23/92/70/850239270.db2.gz AURDITXNMFTNSV-GOSISDBHSA-N 3 1 352.523 0.664 20 0 FCADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC001277811242 862112446 /nfs/dbraw/zinc/11/24/46/862112446.db2.gz UXNVUQCVLMUIDM-MRXNPFEDSA-N 2 1 351.422 0.334 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001161884265 850288348 /nfs/dbraw/zinc/28/83/48/850288348.db2.gz MTYOFIVSGDHUJI-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001164576206 850417597 /nfs/dbraw/zinc/41/75/97/850417597.db2.gz PBLIMWCZNZDSEG-HUUCEWRRSA-N 2 1 359.536 0.637 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](C3CCC([NH+](C)C)CC3)C[C@H]2C1 ZINC001168323457 850582442 /nfs/dbraw/zinc/58/24/42/850582442.db2.gz ZQUNERJCLYABRU-XNIRIUNOSA-N 2 1 358.552 0.919 20 0 FCADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@]1(C)CCS(=O)(=O)C1 ZINC001170555255 850658667 /nfs/dbraw/zinc/65/86/67/850658667.db2.gz YCAABEWBIJRBDP-MRXNPFEDSA-N 2 1 353.492 0.949 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501592 850686655 /nfs/dbraw/zinc/68/66/55/850686655.db2.gz UJJFLCTXBHOSFB-ARFHVFGLSA-N 2 1 356.511 0.495 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501592 850686663 /nfs/dbraw/zinc/68/66/63/850686663.db2.gz UJJFLCTXBHOSFB-ARFHVFGLSA-N 2 1 356.511 0.495 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCN(C)C2=O)O1 ZINC001178811720 850933851 /nfs/dbraw/zinc/93/38/51/850933851.db2.gz ZTSXYWIBRDMPLV-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCN(C)C2=O)O1 ZINC001178811720 850933852 /nfs/dbraw/zinc/93/38/52/850933852.db2.gz ZTSXYWIBRDMPLV-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC001180008426 851009125 /nfs/dbraw/zinc/00/91/25/851009125.db2.gz JSTHDYBCYYIWPP-UHFFFAOYSA-N 2 1 354.476 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001182692119 851192510 /nfs/dbraw/zinc/19/25/10/851192510.db2.gz DGGQBMLENRTNQQ-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(CC)C3CC3)C2)CC[N@H+]1C ZINC001182693588 851192624 /nfs/dbraw/zinc/19/26/24/851192624.db2.gz XVRBFKHCTSFDQA-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001182693041 851192722 /nfs/dbraw/zinc/19/27/22/851192722.db2.gz QUJQFXDPNPIMIY-FRRDWIJNSA-N 2 1 366.491 0.397 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001182692128 851193096 /nfs/dbraw/zinc/19/30/96/851193096.db2.gz DTRICXSWZFYCLZ-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250464 851345100 /nfs/dbraw/zinc/34/51/00/851345100.db2.gz GREYRHZUYDHGNX-JKSUJKDBSA-N 2 1 352.523 0.770 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971795 851633630 /nfs/dbraw/zinc/63/36/30/851633630.db2.gz XTULEXJGLUWAKS-MWDXBVQZSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971795 851633633 /nfs/dbraw/zinc/63/36/33/851633633.db2.gz XTULEXJGLUWAKS-MWDXBVQZSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971795 851633635 /nfs/dbraw/zinc/63/36/35/851633635.db2.gz XTULEXJGLUWAKS-MWDXBVQZSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971795 851633639 /nfs/dbraw/zinc/63/36/39/851633639.db2.gz XTULEXJGLUWAKS-MWDXBVQZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001188107789 851646295 /nfs/dbraw/zinc/64/62/95/851646295.db2.gz YTMMTXMJUZOKGQ-HRCADAONSA-N 2 1 352.458 0.491 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964121 851738168 /nfs/dbraw/zinc/73/81/68/851738168.db2.gz VIBFGSJLSBBFKX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964121 851738174 /nfs/dbraw/zinc/73/81/74/851738174.db2.gz VIBFGSJLSBBFKX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979179 851739350 /nfs/dbraw/zinc/73/93/50/851739350.db2.gz KFYYVOIPFJOGHT-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979179 851739354 /nfs/dbraw/zinc/73/93/54/851739354.db2.gz KFYYVOIPFJOGHT-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018170 851742546 /nfs/dbraw/zinc/74/25/46/851742546.db2.gz FTDLAINVULXSEH-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018170 851742554 /nfs/dbraw/zinc/74/25/54/851742554.db2.gz FTDLAINVULXSEH-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001189055516 851746342 /nfs/dbraw/zinc/74/63/42/851746342.db2.gz XSXDIBFLHFXXKT-MELADBBJSA-N 2 1 367.412 0.411 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127522 851755946 /nfs/dbraw/zinc/75/59/46/851755946.db2.gz WYTXQCSYVXJLJH-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127522 851755950 /nfs/dbraw/zinc/75/59/50/851755950.db2.gz WYTXQCSYVXJLJH-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127522 851755957 /nfs/dbraw/zinc/75/59/57/851755957.db2.gz WYTXQCSYVXJLJH-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127522 851755960 /nfs/dbraw/zinc/75/59/60/851755960.db2.gz WYTXQCSYVXJLJH-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276957 851772446 /nfs/dbraw/zinc/77/24/46/851772446.db2.gz LZGJOFMZKOGAOE-ARFHVFGLSA-N 2 1 350.463 0.547 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276957 851772449 /nfs/dbraw/zinc/77/24/49/851772449.db2.gz LZGJOFMZKOGAOE-ARFHVFGLSA-N 2 1 350.463 0.547 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189478410 851794136 /nfs/dbraw/zinc/79/41/36/851794136.db2.gz SUGDVOLQOPADTB-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544711 851799873 /nfs/dbraw/zinc/79/98/73/851799873.db2.gz SFIROCPSGJZYKM-SOLBZPMBSA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189660814 851812358 /nfs/dbraw/zinc/81/23/58/851812358.db2.gz YBYAVUHSYUOBJJ-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189660814 851812364 /nfs/dbraw/zinc/81/23/64/851812364.db2.gz YBYAVUHSYUOBJJ-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189660814 851812367 /nfs/dbraw/zinc/81/23/67/851812367.db2.gz YBYAVUHSYUOBJJ-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001278277261 862287534 /nfs/dbraw/zinc/28/75/34/862287534.db2.gz VYJNNXBMXWLEIR-BZSNNMDCSA-N 2 1 351.491 0.809 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001278277261 862287544 /nfs/dbraw/zinc/28/75/44/862287544.db2.gz VYJNNXBMXWLEIR-BZSNNMDCSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]21 ZINC001189811338 851827037 /nfs/dbraw/zinc/82/70/37/851827037.db2.gz YBBXFBSIJJQJAB-GOEBONIOSA-N 2 1 369.897 0.647 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001189811362 851827238 /nfs/dbraw/zinc/82/72/38/851827238.db2.gz ZDWQNJOIANBDAG-MELADBBJSA-N 2 1 367.412 0.411 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819944 851828001 /nfs/dbraw/zinc/82/80/01/851828001.db2.gz GNNILJGRGGNMLG-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819944 851828012 /nfs/dbraw/zinc/82/80/12/851828012.db2.gz GNNILJGRGGNMLG-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819944 851828014 /nfs/dbraw/zinc/82/80/14/851828014.db2.gz GNNILJGRGGNMLG-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819944 851828022 /nfs/dbraw/zinc/82/80/22/851828022.db2.gz GNNILJGRGGNMLG-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871447 851833276 /nfs/dbraw/zinc/83/32/76/851833276.db2.gz OWVQJOMITOAHIA-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898289 851839030 /nfs/dbraw/zinc/83/90/30/851839030.db2.gz JVKAAJRYEVBFRT-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898289 851839035 /nfs/dbraw/zinc/83/90/35/851839035.db2.gz JVKAAJRYEVBFRT-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898289 851839038 /nfs/dbraw/zinc/83/90/38/851839038.db2.gz JVKAAJRYEVBFRT-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898289 851839042 /nfs/dbraw/zinc/83/90/42/851839042.db2.gz JVKAAJRYEVBFRT-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001190176241 851870682 /nfs/dbraw/zinc/87/06/82/851870682.db2.gz DONCUOYAWNDTNC-RCCFBDPRSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001190176849 851870973 /nfs/dbraw/zinc/87/09/73/851870973.db2.gz IHROYPZDCSZWQA-RCCFBDPRSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238326 851882043 /nfs/dbraw/zinc/88/20/43/851882043.db2.gz LGEOYFYKGOZHED-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238326 851882048 /nfs/dbraw/zinc/88/20/48/851882048.db2.gz LGEOYFYKGOZHED-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238326 851882053 /nfs/dbraw/zinc/88/20/53/851882053.db2.gz LGEOYFYKGOZHED-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001190246676 851882440 /nfs/dbraw/zinc/88/24/40/851882440.db2.gz FVCNGKINZPOBSK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001190246676 851882446 /nfs/dbraw/zinc/88/24/46/851882446.db2.gz FVCNGKINZPOBSK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001190246676 851882453 /nfs/dbraw/zinc/88/24/53/851882453.db2.gz FVCNGKINZPOBSK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001190246676 851882463 /nfs/dbraw/zinc/88/24/63/851882463.db2.gz FVCNGKINZPOBSK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@H]2O)CC[N@H+]1C ZINC001193086416 852351947 /nfs/dbraw/zinc/35/19/47/852351947.db2.gz YXTPWLOTEHGSNY-BSDSXHPESA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCC(C)C)C[C@H]2O)CC[NH+]1C ZINC001193086416 852351960 /nfs/dbraw/zinc/35/19/60/852351960.db2.gz YXTPWLOTEHGSNY-BSDSXHPESA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2O)CC[NH+]1C ZINC001193086416 852351969 /nfs/dbraw/zinc/35/19/69/852351969.db2.gz YXTPWLOTEHGSNY-BSDSXHPESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001193756983 852483427 /nfs/dbraw/zinc/48/34/27/852483427.db2.gz WVBVQRCNMQRVLG-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001193756983 852483431 /nfs/dbraw/zinc/48/34/31/852483431.db2.gz WVBVQRCNMQRVLG-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001193756983 852483436 /nfs/dbraw/zinc/48/34/36/852483436.db2.gz WVBVQRCNMQRVLG-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126759 852541809 /nfs/dbraw/zinc/54/18/09/852541809.db2.gz JJMYXCWUOBYEGX-HZSPNIEDSA-N 2 1 367.412 0.601 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126759 852541821 /nfs/dbraw/zinc/54/18/21/852541821.db2.gz JJMYXCWUOBYEGX-HZSPNIEDSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126759 852541830 /nfs/dbraw/zinc/54/18/30/852541830.db2.gz JJMYXCWUOBYEGX-HZSPNIEDSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194126759 852541837 /nfs/dbraw/zinc/54/18/37/852541837.db2.gz JJMYXCWUOBYEGX-HZSPNIEDSA-N 2 1 367.412 0.601 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1)OC ZINC001194290246 852573206 /nfs/dbraw/zinc/57/32/06/852573206.db2.gz SHZGAXWXCGSGFO-BRWVUGGUSA-N 2 1 350.463 0.494 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194299672 852575307 /nfs/dbraw/zinc/57/53/07/852575307.db2.gz UWSXFCYFUOZAQE-IAGOWNOFSA-N 2 1 350.463 0.494 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001194982152 852685903 /nfs/dbraw/zinc/68/59/03/852685903.db2.gz BGXAUAXAKIGEHY-KURKYZTESA-N 2 1 351.491 0.449 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001194982152 852685911 /nfs/dbraw/zinc/68/59/11/852685911.db2.gz BGXAUAXAKIGEHY-KURKYZTESA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)CCCC1 ZINC001195005670 852691159 /nfs/dbraw/zinc/69/11/59/852691159.db2.gz AHUFKNOGIUVNOQ-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548739 852783281 /nfs/dbraw/zinc/78/32/81/852783281.db2.gz HCTHBHIHMFRKMU-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548739 852783285 /nfs/dbraw/zinc/78/32/85/852783285.db2.gz HCTHBHIHMFRKMU-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548739 852783289 /nfs/dbraw/zinc/78/32/89/852783289.db2.gz HCTHBHIHMFRKMU-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548739 852783294 /nfs/dbraw/zinc/78/32/94/852783294.db2.gz HCTHBHIHMFRKMU-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195594945 852793640 /nfs/dbraw/zinc/79/36/40/852793640.db2.gz WSWUPIWQQNILDT-WNRNVDISSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001195594945 852793645 /nfs/dbraw/zinc/79/36/45/852793645.db2.gz WSWUPIWQQNILDT-WNRNVDISSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001195594945 852793649 /nfs/dbraw/zinc/79/36/49/852793649.db2.gz WSWUPIWQQNILDT-WNRNVDISSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001195860495 852836774 /nfs/dbraw/zinc/83/67/74/852836774.db2.gz XXRJLYLSNLRPGW-GHMZBOCLSA-N 2 1 359.364 0.016 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001195860495 852836779 /nfs/dbraw/zinc/83/67/79/852836779.db2.gz XXRJLYLSNLRPGW-GHMZBOCLSA-N 2 1 359.364 0.016 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176332 852905104 /nfs/dbraw/zinc/90/51/04/852905104.db2.gz LOVUTDNIAOSSTB-RKVPGOIHSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196176332 852905106 /nfs/dbraw/zinc/90/51/06/852905106.db2.gz LOVUTDNIAOSSTB-RKVPGOIHSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196176332 852905112 /nfs/dbraw/zinc/90/51/12/852905112.db2.gz LOVUTDNIAOSSTB-RKVPGOIHSA-N 2 1 359.486 0.787 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207573 852915593 /nfs/dbraw/zinc/91/55/93/852915593.db2.gz QKXHQTSONQDWLD-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207573 852915603 /nfs/dbraw/zinc/91/56/03/852915603.db2.gz QKXHQTSONQDWLD-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196207573 852915610 /nfs/dbraw/zinc/91/56/10/852915610.db2.gz QKXHQTSONQDWLD-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196207573 852915616 /nfs/dbraw/zinc/91/56/16/852915616.db2.gz QKXHQTSONQDWLD-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208054 852915995 /nfs/dbraw/zinc/91/59/95/852915995.db2.gz XUWFAELLRPCBEP-ZACQAIPSSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208054 852915997 /nfs/dbraw/zinc/91/59/97/852915997.db2.gz XUWFAELLRPCBEP-ZACQAIPSSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208054 852916001 /nfs/dbraw/zinc/91/60/01/852916001.db2.gz XUWFAELLRPCBEP-ZACQAIPSSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1)OC ZINC001196939032 853036105 /nfs/dbraw/zinc/03/61/05/853036105.db2.gz CIFYODOXOMMIMU-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1)OC ZINC001196939032 853036109 /nfs/dbraw/zinc/03/61/09/853036109.db2.gz CIFYODOXOMMIMU-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1O ZINC001196945802 853038286 /nfs/dbraw/zinc/03/82/86/853038286.db2.gz FUADBIHMSJHEAK-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1O ZINC001196945802 853038297 /nfs/dbraw/zinc/03/82/97/853038297.db2.gz FUADBIHMSJHEAK-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197048444 853052737 /nfs/dbraw/zinc/05/27/37/853052737.db2.gz BCUVSSMSDLVTDO-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197048444 853052741 /nfs/dbraw/zinc/05/27/41/853052741.db2.gz BCUVSSMSDLVTDO-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320063 853098933 /nfs/dbraw/zinc/09/89/33/853098933.db2.gz UVCDFCKNHWEZPM-IAGOWNOFSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)CC1 ZINC001197320079 853099256 /nfs/dbraw/zinc/09/92/56/853099256.db2.gz VEOSFVABIIUTHK-IAGOWNOFSA-N 2 1 353.507 0.695 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197536460 853127912 /nfs/dbraw/zinc/12/79/12/853127912.db2.gz UUMNRTAPRXEOKE-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)Cc3ccccn3)CC2)CC1 ZINC001197814799 853166740 /nfs/dbraw/zinc/16/67/40/853166740.db2.gz FXWOFPXBYYNTOX-UHFFFAOYSA-N 2 1 352.504 0.871 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001198038516 853208691 /nfs/dbraw/zinc/20/86/91/853208691.db2.gz UPVNLPVFTSHKNW-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001198038516 853208698 /nfs/dbraw/zinc/20/86/98/853208698.db2.gz UPVNLPVFTSHKNW-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001198038516 853208708 /nfs/dbraw/zinc/20/87/08/853208708.db2.gz UPVNLPVFTSHKNW-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001198038516 853208716 /nfs/dbraw/zinc/20/87/16/853208716.db2.gz UPVNLPVFTSHKNW-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001199057437 853361295 /nfs/dbraw/zinc/36/12/95/853361295.db2.gz JSWDCJTZGWJSMT-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057446 853361385 /nfs/dbraw/zinc/36/13/85/853361385.db2.gz JVQASMIECAQLDV-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP CCCc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001199103963 853368934 /nfs/dbraw/zinc/36/89/34/853368934.db2.gz GDWPMZKIOPZAHW-HUUCEWRRSA-N 2 1 352.479 0.937 20 0 FCADMP CC(C)CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199398287 853419626 /nfs/dbraw/zinc/41/96/26/853419626.db2.gz MZRVETQVQGGVNS-IAGOWNOFSA-N 2 1 352.479 0.887 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200637580 853505963 /nfs/dbraw/zinc/50/59/63/853505963.db2.gz YYIIYPBDCCUCBO-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001205334089 853604041 /nfs/dbraw/zinc/60/40/41/853604041.db2.gz BFTMWOABFRHHJN-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205516528 853619212 /nfs/dbraw/zinc/61/92/12/853619212.db2.gz ISALHNMLMZDQEI-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001207001399 853779514 /nfs/dbraw/zinc/77/95/14/853779514.db2.gz XENLXEWCKLHDNJ-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]2C)CC[N@H+]1C ZINC001207001399 853779518 /nfs/dbraw/zinc/77/95/18/853779518.db2.gz XENLXEWCKLHDNJ-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]2C)CC[NH+]1C ZINC001207001399 853779519 /nfs/dbraw/zinc/77/95/19/853779519.db2.gz XENLXEWCKLHDNJ-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]2C)CC[NH+]1C ZINC001207001399 853779522 /nfs/dbraw/zinc/77/95/22/853779522.db2.gz XENLXEWCKLHDNJ-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538367 853821075 /nfs/dbraw/zinc/82/10/75/853821075.db2.gz NACPMEQJZFHOFF-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538367 853821077 /nfs/dbraw/zinc/82/10/77/853821077.db2.gz NACPMEQJZFHOFF-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207538367 853821080 /nfs/dbraw/zinc/82/10/80/853821080.db2.gz NACPMEQJZFHOFF-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207538367 853821083 /nfs/dbraw/zinc/82/10/83/853821083.db2.gz NACPMEQJZFHOFF-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545334 853822518 /nfs/dbraw/zinc/82/25/18/853822518.db2.gz PSNJMSJDIMNWSF-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547461 853823355 /nfs/dbraw/zinc/82/33/55/853823355.db2.gz XNTMTRGJORYXHO-BRWVUGGUSA-N 2 1 351.495 0.676 20 0 FCADMP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547461 853823359 /nfs/dbraw/zinc/82/33/59/853823359.db2.gz XNTMTRGJORYXHO-BRWVUGGUSA-N 2 1 351.495 0.676 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207551102 853824059 /nfs/dbraw/zinc/82/40/59/853824059.db2.gz STSXFMJLZWKYJR-FVQBIDKESA-N 2 1 353.511 0.471 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207551102 853824064 /nfs/dbraw/zinc/82/40/64/853824064.db2.gz STSXFMJLZWKYJR-FVQBIDKESA-N 2 1 353.511 0.471 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568080 853827745 /nfs/dbraw/zinc/82/77/45/853827745.db2.gz NTXYSACSYBUIIY-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568080 853827751 /nfs/dbraw/zinc/82/77/51/853827751.db2.gz NTXYSACSYBUIIY-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568080 853827758 /nfs/dbraw/zinc/82/77/58/853827758.db2.gz NTXYSACSYBUIIY-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568080 853827762 /nfs/dbraw/zinc/82/77/62/853827762.db2.gz NTXYSACSYBUIIY-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001207641624 853832297 /nfs/dbraw/zinc/83/22/97/853832297.db2.gz WIBQUFGOQSYFHN-KYJSFNMBSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001207641624 853832305 /nfs/dbraw/zinc/83/23/05/853832305.db2.gz WIBQUFGOQSYFHN-KYJSFNMBSA-N 2 1 352.523 0.925 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001207697752 853842037 /nfs/dbraw/zinc/84/20/37/853842037.db2.gz JAFCYIBVSANGNR-RBSFLKMASA-N 2 1 355.527 0.861 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001207697752 853842046 /nfs/dbraw/zinc/84/20/46/853842046.db2.gz JAFCYIBVSANGNR-RBSFLKMASA-N 2 1 355.527 0.861 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)CS(C)(=O)=O ZINC001207862781 853866133 /nfs/dbraw/zinc/86/61/33/853866133.db2.gz VPXAKZNCDKOUSL-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)CS(C)(=O)=O ZINC001207862781 853866139 /nfs/dbraw/zinc/86/61/39/853866139.db2.gz VPXAKZNCDKOUSL-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208071310 853891364 /nfs/dbraw/zinc/89/13/64/853891364.db2.gz ZRWCGHCZQSJGFF-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001208073628 853891878 /nfs/dbraw/zinc/89/18/78/853891878.db2.gz MVPZNCOKLVRPMS-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001208073629 853891893 /nfs/dbraw/zinc/89/18/93/853891893.db2.gz MVPZNCOKLVRPMS-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445207 853935794 /nfs/dbraw/zinc/93/57/94/853935794.db2.gz WAYFBGNORJEYEM-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485833 853940610 /nfs/dbraw/zinc/94/06/10/853940610.db2.gz SYGWWCDLPUYNTH-BPQIPLTHSA-N 2 1 355.523 0.798 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496463 853942875 /nfs/dbraw/zinc/94/28/75/853942875.db2.gz UCXGEZPGBIEGBV-IJEWVQPXSA-N 2 1 350.463 0.673 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496463 853942883 /nfs/dbraw/zinc/94/28/83/853942883.db2.gz UCXGEZPGBIEGBV-IJEWVQPXSA-N 2 1 350.463 0.673 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001208527890 853946805 /nfs/dbraw/zinc/94/68/05/853946805.db2.gz WIBQUFGOQSYFHN-QGPMSJSTSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001208527890 853946811 /nfs/dbraw/zinc/94/68/11/853946811.db2.gz WIBQUFGOQSYFHN-QGPMSJSTSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208597605 853958899 /nfs/dbraw/zinc/95/88/99/853958899.db2.gz PRHKTHCLVNUBKF-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208597605 853958905 /nfs/dbraw/zinc/95/89/05/853958905.db2.gz PRHKTHCLVNUBKF-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208597605 853958909 /nfs/dbraw/zinc/95/89/09/853958909.db2.gz PRHKTHCLVNUBKF-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208597605 853958915 /nfs/dbraw/zinc/95/89/15/853958915.db2.gz PRHKTHCLVNUBKF-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001208958020 853984823 /nfs/dbraw/zinc/98/48/23/853984823.db2.gz LNFZZYFIJVLDSF-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001208958020 853984827 /nfs/dbraw/zinc/98/48/27/853984827.db2.gz LNFZZYFIJVLDSF-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001209634207 854042106 /nfs/dbraw/zinc/04/21/06/854042106.db2.gz AAKATPQMZVEBAQ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001209634207 854042110 /nfs/dbraw/zinc/04/21/10/854042110.db2.gz AAKATPQMZVEBAQ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040391 854073187 /nfs/dbraw/zinc/07/31/87/854073187.db2.gz GEPCTUNHVQADNQ-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040391 854073192 /nfs/dbraw/zinc/07/31/92/854073192.db2.gz GEPCTUNHVQADNQ-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040391 854073195 /nfs/dbraw/zinc/07/31/95/854073195.db2.gz GEPCTUNHVQADNQ-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210298194 854097408 /nfs/dbraw/zinc/09/74/08/854097408.db2.gz LXOJMCHBPXKEQA-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330018 854100428 /nfs/dbraw/zinc/10/04/28/854100428.db2.gz LNFIFSARFMGUDJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330018 854100430 /nfs/dbraw/zinc/10/04/30/854100430.db2.gz LNFIFSARFMGUDJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210322040 854100652 /nfs/dbraw/zinc/10/06/52/854100652.db2.gz OSBZFPAQZQTAIB-UKRRQHHQSA-N 2 1 370.519 0.233 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001210499254 854114087 /nfs/dbraw/zinc/11/40/87/854114087.db2.gz VEOGZMRAJBVFIR-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001210499254 854114090 /nfs/dbraw/zinc/11/40/90/854114090.db2.gz VEOGZMRAJBVFIR-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001210499254 854114092 /nfs/dbraw/zinc/11/40/92/854114092.db2.gz VEOGZMRAJBVFIR-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001210499254 854114095 /nfs/dbraw/zinc/11/40/95/854114095.db2.gz VEOGZMRAJBVFIR-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211024926 854147647 /nfs/dbraw/zinc/14/76/47/854147647.db2.gz BYZQVTGGGFRXEX-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211024926 854147656 /nfs/dbraw/zinc/14/76/56/854147656.db2.gz BYZQVTGGGFRXEX-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211024926 854147664 /nfs/dbraw/zinc/14/76/64/854147664.db2.gz BYZQVTGGGFRXEX-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211024926 854147671 /nfs/dbraw/zinc/14/76/71/854147671.db2.gz BYZQVTGGGFRXEX-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025509 854147959 /nfs/dbraw/zinc/14/79/59/854147959.db2.gz KEFUYMDPDVGTIC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211025509 854147960 /nfs/dbraw/zinc/14/79/60/854147960.db2.gz KEFUYMDPDVGTIC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211025509 854147962 /nfs/dbraw/zinc/14/79/62/854147962.db2.gz KEFUYMDPDVGTIC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211025509 854147963 /nfs/dbraw/zinc/14/79/63/854147963.db2.gz KEFUYMDPDVGTIC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367545 854181514 /nfs/dbraw/zinc/18/15/14/854181514.db2.gz VDQJSFIAFYGJHI-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367545 854181519 /nfs/dbraw/zinc/18/15/19/854181519.db2.gz VDQJSFIAFYGJHI-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367545 854181529 /nfs/dbraw/zinc/18/15/29/854181529.db2.gz VDQJSFIAFYGJHI-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367545 854181534 /nfs/dbraw/zinc/18/15/34/854181534.db2.gz VDQJSFIAFYGJHI-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369885 854182895 /nfs/dbraw/zinc/18/28/95/854182895.db2.gz SDGNXKYUGWSODF-HZSPNIEDSA-N 2 1 369.428 0.703 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369885 854182899 /nfs/dbraw/zinc/18/28/99/854182899.db2.gz SDGNXKYUGWSODF-HZSPNIEDSA-N 2 1 369.428 0.703 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369885 854182902 /nfs/dbraw/zinc/18/29/02/854182902.db2.gz SDGNXKYUGWSODF-HZSPNIEDSA-N 2 1 369.428 0.703 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369482 854183228 /nfs/dbraw/zinc/18/32/28/854183228.db2.gz JMHBRXHCWPGYTG-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369482 854183233 /nfs/dbraw/zinc/18/32/33/854183233.db2.gz JMHBRXHCWPGYTG-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369482 854183238 /nfs/dbraw/zinc/18/32/38/854183238.db2.gz JMHBRXHCWPGYTG-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369482 854183241 /nfs/dbraw/zinc/18/32/41/854183241.db2.gz JMHBRXHCWPGYTG-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001212282595 854425965 /nfs/dbraw/zinc/42/59/65/854425965.db2.gz ZPZQAYFAUAJACQ-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001212282595 854425967 /nfs/dbraw/zinc/42/59/67/854425967.db2.gz ZPZQAYFAUAJACQ-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407747 854466209 /nfs/dbraw/zinc/46/62/09/854466209.db2.gz DTQDHDFFHMRKSG-MGPQQGTHSA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407747 854466210 /nfs/dbraw/zinc/46/62/10/854466210.db2.gz DTQDHDFFHMRKSG-MGPQQGTHSA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419192 854470744 /nfs/dbraw/zinc/47/07/44/854470744.db2.gz WBQPBQMZQCOGLZ-HZPDHXFCSA-N 2 1 352.504 0.985 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419192 854470747 /nfs/dbraw/zinc/47/07/47/854470747.db2.gz WBQPBQMZQCOGLZ-HZPDHXFCSA-N 2 1 352.504 0.985 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212419192 854470749 /nfs/dbraw/zinc/47/07/49/854470749.db2.gz WBQPBQMZQCOGLZ-HZPDHXFCSA-N 2 1 352.504 0.985 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212419192 854470752 /nfs/dbraw/zinc/47/07/52/854470752.db2.gz WBQPBQMZQCOGLZ-HZPDHXFCSA-N 2 1 352.504 0.985 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001212486798 854498889 /nfs/dbraw/zinc/49/88/89/854498889.db2.gz DSPHFEKBULBEKI-CHWSQXEVSA-N 2 1 351.438 0.814 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001212486798 854498890 /nfs/dbraw/zinc/49/88/90/854498890.db2.gz DSPHFEKBULBEKI-CHWSQXEVSA-N 2 1 351.438 0.814 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212486798 854498891 /nfs/dbraw/zinc/49/88/91/854498891.db2.gz DSPHFEKBULBEKI-CHWSQXEVSA-N 2 1 351.438 0.814 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212486798 854498892 /nfs/dbraw/zinc/49/88/92/854498892.db2.gz DSPHFEKBULBEKI-CHWSQXEVSA-N 2 1 351.438 0.814 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212510187 854507032 /nfs/dbraw/zinc/50/70/32/854507032.db2.gz ZGBVSMWSASHACY-HZPDHXFCSA-N 2 1 355.479 0.093 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212510187 854507036 /nfs/dbraw/zinc/50/70/36/854507036.db2.gz ZGBVSMWSASHACY-HZPDHXFCSA-N 2 1 355.479 0.093 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001213175503 854523707 /nfs/dbraw/zinc/52/37/07/854523707.db2.gz QGKBIMRZDGAXLM-NVXWUHKLSA-N 2 1 350.463 0.614 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001213175503 854523709 /nfs/dbraw/zinc/52/37/09/854523709.db2.gz QGKBIMRZDGAXLM-NVXWUHKLSA-N 2 1 350.463 0.614 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221739 854539913 /nfs/dbraw/zinc/53/99/13/854539913.db2.gz OSABMNOHJJCLBF-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434800 854614620 /nfs/dbraw/zinc/61/46/20/854614620.db2.gz LPPGYNBPZXKGFV-BRWVUGGUSA-N 2 1 351.495 0.819 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576321 854671793 /nfs/dbraw/zinc/67/17/93/854671793.db2.gz KDNQKZUWUBKEDJ-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576321 854671810 /nfs/dbraw/zinc/67/18/10/854671810.db2.gz KDNQKZUWUBKEDJ-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213599012 854679923 /nfs/dbraw/zinc/67/99/23/854679923.db2.gz PUTDUXHXVMIAHX-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213599012 854679931 /nfs/dbraw/zinc/67/99/31/854679931.db2.gz PUTDUXHXVMIAHX-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638170 854694297 /nfs/dbraw/zinc/69/42/97/854694297.db2.gz BTXMCTAMRIDAOH-NANBGGJNSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730067 854739749 /nfs/dbraw/zinc/73/97/49/854739749.db2.gz CCMWVNAUUQOPCW-RRFJBIMHSA-N 2 1 363.449 0.815 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730831 854740272 /nfs/dbraw/zinc/74/02/72/854740272.db2.gz ZCNKMBYJMICJJB-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1OC ZINC001213759401 854754827 /nfs/dbraw/zinc/75/48/27/854754827.db2.gz JTHIOSCMRCSNEV-CHWSQXEVSA-N 2 1 355.401 0.723 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213767396 854760739 /nfs/dbraw/zinc/76/07/39/854760739.db2.gz REYFIDOOMMMBBZ-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213767396 854760742 /nfs/dbraw/zinc/76/07/42/854760742.db2.gz REYFIDOOMMMBBZ-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213767396 854760747 /nfs/dbraw/zinc/76/07/47/854760747.db2.gz REYFIDOOMMMBBZ-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213767396 854760750 /nfs/dbraw/zinc/76/07/50/854760750.db2.gz REYFIDOOMMMBBZ-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@H](OC)C1 ZINC001213892376 854813801 /nfs/dbraw/zinc/81/38/01/854813801.db2.gz CHYIUQBHVJCPIX-ZACQAIPSSA-N 2 1 357.495 0.339 20 0 FCADMP CCCCOCCN1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@H](OC)C1 ZINC001213892376 854813806 /nfs/dbraw/zinc/81/38/06/854813806.db2.gz CHYIUQBHVJCPIX-ZACQAIPSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929818 854831372 /nfs/dbraw/zinc/83/13/72/854831372.db2.gz MFOBQIPHUBWCKG-GVDBMIGSSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929818 854831376 /nfs/dbraw/zinc/83/13/76/854831376.db2.gz MFOBQIPHUBWCKG-GVDBMIGSSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929818 854831380 /nfs/dbraw/zinc/83/13/80/854831380.db2.gz MFOBQIPHUBWCKG-GVDBMIGSSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929920 854831409 /nfs/dbraw/zinc/83/14/09/854831409.db2.gz RWHJRBSITXLPBZ-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929920 854831412 /nfs/dbraw/zinc/83/14/12/854831412.db2.gz RWHJRBSITXLPBZ-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929920 854831417 /nfs/dbraw/zinc/83/14/17/854831417.db2.gz RWHJRBSITXLPBZ-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214780315 855011939 /nfs/dbraw/zinc/01/19/39/855011939.db2.gz UYWBSOVAVOVDGV-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214860962 855024360 /nfs/dbraw/zinc/02/43/60/855024360.db2.gz CFVKEUMDJHSLKB-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214997637 855049211 /nfs/dbraw/zinc/04/92/11/855049211.db2.gz KNNWVSLIYRLVPU-GDBMZVCRSA-N 2 1 356.511 0.306 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC001215155820 855074638 /nfs/dbraw/zinc/07/46/38/855074638.db2.gz LOTRSKYFRQVCIU-HYVNUMGLSA-N 2 1 352.479 0.662 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001215392975 855108895 /nfs/dbraw/zinc/10/88/95/855108895.db2.gz ITKSIJDVFKTZJB-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001215392975 855108900 /nfs/dbraw/zinc/10/89/00/855108900.db2.gz ITKSIJDVFKTZJB-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C)C1CC1 ZINC001215540321 855126654 /nfs/dbraw/zinc/12/66/54/855126654.db2.gz LUQBSVVVZNQWNP-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215550565 855127703 /nfs/dbraw/zinc/12/77/03/855127703.db2.gz AYWKYCMJXQPAMN-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551625 855128163 /nfs/dbraw/zinc/12/81/63/855128163.db2.gz UZXMEBMUDHDSMB-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215567633 855128980 /nfs/dbraw/zinc/12/89/80/855128980.db2.gz BAOTWPZPNRWOMN-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC001215929209 855157726 /nfs/dbraw/zinc/15/77/26/855157726.db2.gz BOVBJSVQYQTBPS-HZSPNIEDSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216383178 855196944 /nfs/dbraw/zinc/19/69/44/855196944.db2.gz IPAQAJOIHVSVNQ-JHJVBQTASA-N 2 1 366.491 0.255 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216384066 855197687 /nfs/dbraw/zinc/19/76/87/855197687.db2.gz WPSUWNFSGCWUDB-HZSPNIEDSA-N 2 1 365.503 0.860 20 0 FCADMP COCc1nc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cs1 ZINC001216401292 855199552 /nfs/dbraw/zinc/19/95/52/855199552.db2.gz IWRIJYOLDQHKDF-UKRRQHHQSA-N 2 1 370.519 0.804 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001216490820 855207066 /nfs/dbraw/zinc/20/70/66/855207066.db2.gz QENMZWXMQPOTAH-HUUCEWRRSA-N 2 1 354.474 0.916 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001216490820 855207070 /nfs/dbraw/zinc/20/70/70/855207070.db2.gz QENMZWXMQPOTAH-HUUCEWRRSA-N 2 1 354.474 0.916 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216507409 855209015 /nfs/dbraw/zinc/20/90/15/855209015.db2.gz XTWSTMGHWFTQMG-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216507409 855209028 /nfs/dbraw/zinc/20/90/28/855209028.db2.gz XTWSTMGHWFTQMG-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP C[C@H]1C[NH+](CCc2nnc(CN3CCCC[C@H]([NH3+])C3=O)o2)C[C@H](C)O1 ZINC001217726824 855369250 /nfs/dbraw/zinc/36/92/50/855369250.db2.gz NLQQURGAZWBRHP-IHRRRGAJSA-N 2 1 351.451 0.561 20 0 FCADMP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217923322 855383896 /nfs/dbraw/zinc/38/38/96/855383896.db2.gz LRPDDTUPDJRKAS-OKZBNKHCSA-N 2 1 351.491 0.665 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001218135123 855399519 /nfs/dbraw/zinc/39/95/19/855399519.db2.gz KOXQYIVLYYJTAS-ABKXIKBNSA-N 2 1 352.391 0.062 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCF)C[C@@H]32)O1 ZINC001218162873 855403665 /nfs/dbraw/zinc/40/36/65/855403665.db2.gz UHUQZOWAFJTYTE-YYIAUSFCSA-N 2 1 357.470 0.757 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCF)C[C@@H]32)O1 ZINC001218162873 855403666 /nfs/dbraw/zinc/40/36/66/855403666.db2.gz UHUQZOWAFJTYTE-YYIAUSFCSA-N 2 1 357.470 0.757 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCCF)C[C@@H]32)O1 ZINC001218162873 855403669 /nfs/dbraw/zinc/40/36/69/855403669.db2.gz UHUQZOWAFJTYTE-YYIAUSFCSA-N 2 1 357.470 0.757 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCCF)C[C@@H]32)O1 ZINC001218162873 855403671 /nfs/dbraw/zinc/40/36/71/855403671.db2.gz UHUQZOWAFJTYTE-YYIAUSFCSA-N 2 1 357.470 0.757 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)CC1 ZINC001218550600 855437767 /nfs/dbraw/zinc/43/77/67/855437767.db2.gz GIYUIFWQHXXTQB-UONOGXRCSA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)CC1 ZINC001218550600 855437769 /nfs/dbraw/zinc/43/77/69/855437769.db2.gz GIYUIFWQHXXTQB-UONOGXRCSA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218550760 855438716 /nfs/dbraw/zinc/43/87/16/855438716.db2.gz MTHBPJJVFGPPFH-HZSPNIEDSA-N 2 1 367.412 0.553 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218550760 855438720 /nfs/dbraw/zinc/43/87/20/855438720.db2.gz MTHBPJJVFGPPFH-HZSPNIEDSA-N 2 1 367.412 0.553 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631028 855453624 /nfs/dbraw/zinc/45/36/24/855453624.db2.gz PNYUFTUATSLDOK-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631028 855453626 /nfs/dbraw/zinc/45/36/26/855453626.db2.gz PNYUFTUATSLDOK-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631028 855453631 /nfs/dbraw/zinc/45/36/31/855453631.db2.gz PNYUFTUATSLDOK-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631028 855453635 /nfs/dbraw/zinc/45/36/35/855453635.db2.gz PNYUFTUATSLDOK-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918553 855495497 /nfs/dbraw/zinc/49/54/97/855495497.db2.gz FEVFFFIQJFSQSK-HRCADAONSA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918553 855495501 /nfs/dbraw/zinc/49/55/01/855495501.db2.gz FEVFFFIQJFSQSK-HRCADAONSA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218918553 855495505 /nfs/dbraw/zinc/49/55/05/855495505.db2.gz FEVFFFIQJFSQSK-HRCADAONSA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218918553 855495509 /nfs/dbraw/zinc/49/55/09/855495509.db2.gz FEVFFFIQJFSQSK-HRCADAONSA-N 2 1 354.495 0.284 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]21 ZINC001218970021 855504239 /nfs/dbraw/zinc/50/42/39/855504239.db2.gz ATZZTUCALGKOOL-QWHCGFSZSA-N 2 1 353.385 0.429 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC001218970021 855504244 /nfs/dbraw/zinc/50/42/44/855504244.db2.gz ATZZTUCALGKOOL-QWHCGFSZSA-N 2 1 353.385 0.429 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052269 855526575 /nfs/dbraw/zinc/52/65/75/855526575.db2.gz PVFWZMFWGNCVHS-FGTMMUONSA-N 2 1 353.507 0.935 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001219052391 855527704 /nfs/dbraw/zinc/52/77/04/855527704.db2.gz YHTWPTYTWUDRRE-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001219632160 855745549 /nfs/dbraw/zinc/74/55/49/855745549.db2.gz ACGFOCVBLZSJBJ-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001219632160 855745551 /nfs/dbraw/zinc/74/55/51/855745551.db2.gz ACGFOCVBLZSJBJ-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2O)n1 ZINC001219652186 855756195 /nfs/dbraw/zinc/75/61/95/855756195.db2.gz HCKMINVAYZLZJY-CVEARBPZSA-N 2 1 355.458 0.359 20 0 FCADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001219680341 855768186 /nfs/dbraw/zinc/76/81/86/855768186.db2.gz DATVMJXRTWBRGQ-INIZCTEOSA-N 2 1 366.487 0.076 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219796718 855816712 /nfs/dbraw/zinc/81/67/12/855816712.db2.gz NFSSSCJYIXXBGL-KFWWJZLASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219796718 855816715 /nfs/dbraw/zinc/81/67/15/855816715.db2.gz NFSSSCJYIXXBGL-KFWWJZLASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219796718 855816716 /nfs/dbraw/zinc/81/67/16/855816716.db2.gz NFSSSCJYIXXBGL-KFWWJZLASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219796718 855816719 /nfs/dbraw/zinc/81/67/19/855816719.db2.gz NFSSSCJYIXXBGL-KFWWJZLASA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219796719 855817479 /nfs/dbraw/zinc/81/74/79/855817479.db2.gz NFSSSCJYIXXBGL-ZNMIVQPWSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219796719 855817485 /nfs/dbraw/zinc/81/74/85/855817485.db2.gz NFSSSCJYIXXBGL-ZNMIVQPWSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219796719 855817490 /nfs/dbraw/zinc/81/74/90/855817490.db2.gz NFSSSCJYIXXBGL-ZNMIVQPWSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219796719 855817494 /nfs/dbraw/zinc/81/74/94/855817494.db2.gz NFSSSCJYIXXBGL-ZNMIVQPWSA-N 2 1 363.449 0.692 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O ZINC001219878028 855858844 /nfs/dbraw/zinc/85/88/44/855858844.db2.gz WNLBWLWFHBZLFP-CVEARBPZSA-N 2 1 359.486 0.646 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903359 855871610 /nfs/dbraw/zinc/87/16/10/855871610.db2.gz YXKNOQWJLPKDJA-TUAOUCFPSA-N 2 1 355.401 0.191 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903359 855871624 /nfs/dbraw/zinc/87/16/24/855871624.db2.gz YXKNOQWJLPKDJA-TUAOUCFPSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903359 855871633 /nfs/dbraw/zinc/87/16/33/855871633.db2.gz YXKNOQWJLPKDJA-TUAOUCFPSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219903359 855871645 /nfs/dbraw/zinc/87/16/45/855871645.db2.gz YXKNOQWJLPKDJA-TUAOUCFPSA-N 2 1 355.401 0.191 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219905191 855873652 /nfs/dbraw/zinc/87/36/52/855873652.db2.gz WGRVOIMTTMGQAH-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219905191 855873658 /nfs/dbraw/zinc/87/36/58/855873658.db2.gz WGRVOIMTTMGQAH-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219905191 855873664 /nfs/dbraw/zinc/87/36/64/855873664.db2.gz WGRVOIMTTMGQAH-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219905191 855873669 /nfs/dbraw/zinc/87/36/69/855873669.db2.gz WGRVOIMTTMGQAH-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219918732 855878573 /nfs/dbraw/zinc/87/85/73/855878573.db2.gz QGRFXMAFWJNWLG-HNNXBMFYSA-N 2 1 351.447 0.210 20 0 FCADMP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CCC([NH3+])CC1 ZINC001220039967 855929342 /nfs/dbraw/zinc/92/93/42/855929342.db2.gz ZZCGOSOZVUAFJT-SNQIYURSSA-N 2 1 352.479 0.306 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057909 855937954 /nfs/dbraw/zinc/93/79/54/855937954.db2.gz LCDFSGQKPSAFPF-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)CCCC1 ZINC001220078272 855949048 /nfs/dbraw/zinc/94/90/48/855949048.db2.gz MTHIDVGBDJSPSL-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119219 855969295 /nfs/dbraw/zinc/96/92/95/855969295.db2.gz GBIQLUMJUFUSOF-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119219 855969304 /nfs/dbraw/zinc/96/93/04/855969304.db2.gz GBIQLUMJUFUSOF-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC1C[NH+](C(C)C)C1 ZINC001220159709 855988543 /nfs/dbraw/zinc/98/85/43/855988543.db2.gz RFFFAJCTHXRPGJ-QEJZJMRPSA-N 2 1 358.552 0.807 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cs1 ZINC001220230855 856023184 /nfs/dbraw/zinc/02/31/84/856023184.db2.gz RHBXQZVJFUZSNJ-CABCVRRESA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cs1 ZINC001220230855 856023191 /nfs/dbraw/zinc/02/31/91/856023191.db2.gz RHBXQZVJFUZSNJ-CABCVRRESA-N 2 1 352.504 0.497 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220297259 856051336 /nfs/dbraw/zinc/05/13/36/856051336.db2.gz SCGRAJFQIXJLLV-IJEWVQPXSA-N 2 1 353.467 0.058 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220297259 856051340 /nfs/dbraw/zinc/05/13/40/856051340.db2.gz SCGRAJFQIXJLLV-IJEWVQPXSA-N 2 1 353.467 0.058 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345260 856077544 /nfs/dbraw/zinc/07/75/44/856077544.db2.gz SPJLBYHJEPCLDG-ZACQAIPSSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345260 856077555 /nfs/dbraw/zinc/07/75/55/856077555.db2.gz SPJLBYHJEPCLDG-ZACQAIPSSA-N 2 1 351.495 0.244 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351974 856080983 /nfs/dbraw/zinc/08/09/83/856080983.db2.gz OSLRDCNJXCVMIK-MJBXVCDLSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351974 856080992 /nfs/dbraw/zinc/08/09/92/856080992.db2.gz OSLRDCNJXCVMIK-MJBXVCDLSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351974 856080996 /nfs/dbraw/zinc/08/09/96/856080996.db2.gz OSLRDCNJXCVMIK-MJBXVCDLSA-N 2 1 367.412 0.601 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O ZINC001220550436 856180196 /nfs/dbraw/zinc/18/01/96/856180196.db2.gz RUPQBENOWYZCAY-SJORKVTESA-N 2 1 352.479 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O ZINC001220550436 856180199 /nfs/dbraw/zinc/18/01/99/856180199.db2.gz RUPQBENOWYZCAY-SJORKVTESA-N 2 1 352.479 0.948 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220816829 856319553 /nfs/dbraw/zinc/31/95/53/856319553.db2.gz CRZOCNHOQIQFEX-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220816829 856319567 /nfs/dbraw/zinc/31/95/67/856319567.db2.gz CRZOCNHOQIQFEX-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220816829 856319576 /nfs/dbraw/zinc/31/95/76/856319576.db2.gz CRZOCNHOQIQFEX-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831220 856329224 /nfs/dbraw/zinc/32/92/24/856329224.db2.gz TUQPGLWIAOMWOI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831220 856329235 /nfs/dbraw/zinc/32/92/35/856329235.db2.gz TUQPGLWIAOMWOI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831220 856329244 /nfs/dbraw/zinc/32/92/44/856329244.db2.gz TUQPGLWIAOMWOI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220831220 856329253 /nfs/dbraw/zinc/32/92/53/856329253.db2.gz TUQPGLWIAOMWOI-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1=O)c1c(Cl)cc2c(c1Cl)CC[NH2+]C2 ZINC001220876583 856353806 /nfs/dbraw/zinc/35/38/06/856353806.db2.gz LOTXSQBVCHFBOF-UHFFFAOYSA-N 2 1 371.268 0.801 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220911706 856369852 /nfs/dbraw/zinc/36/98/52/856369852.db2.gz UEHUZMCQVBDLHP-KRWDZBQOSA-N 3 1 352.454 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220979648 856405180 /nfs/dbraw/zinc/40/51/80/856405180.db2.gz RKGIIRMSITWDRN-OLZOCXBDSA-N 2 1 364.368 0.322 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220979648 856405181 /nfs/dbraw/zinc/40/51/81/856405181.db2.gz RKGIIRMSITWDRN-OLZOCXBDSA-N 2 1 364.368 0.322 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O ZINC001220986091 856408631 /nfs/dbraw/zinc/40/86/31/856408631.db2.gz RQPZBJHAZCMGLH-UAGQMJEPSA-N 2 1 367.515 0.420 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091131 856457959 /nfs/dbraw/zinc/45/79/59/856457959.db2.gz CVRJQMJZRLYHIP-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091131 856457964 /nfs/dbraw/zinc/45/79/64/856457964.db2.gz CVRJQMJZRLYHIP-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001221194389 856510463 /nfs/dbraw/zinc/51/04/63/856510463.db2.gz QLVWBHFJGGIAJF-NSHDSACASA-N 2 1 352.401 0.761 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279307607 862821711 /nfs/dbraw/zinc/82/17/11/862821711.db2.gz BJYGGOYNFUEQHG-QGZVFWFLSA-N 2 1 351.451 0.116 20 0 FCADMP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221771855 856677483 /nfs/dbraw/zinc/67/74/83/856677483.db2.gz IIUCHJIAJYHWLK-BZUAXINKSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221771855 856677489 /nfs/dbraw/zinc/67/74/89/856677489.db2.gz IIUCHJIAJYHWLK-BZUAXINKSA-N 2 1 371.547 0.542 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221777094 856678848 /nfs/dbraw/zinc/67/88/48/856678848.db2.gz QWXCPHGYNLUMSE-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818422 856698014 /nfs/dbraw/zinc/69/80/14/856698014.db2.gz WRDFXEGQUZGNOF-BZUAXINKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818422 856698020 /nfs/dbraw/zinc/69/80/20/856698020.db2.gz WRDFXEGQUZGNOF-BZUAXINKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818422 856698027 /nfs/dbraw/zinc/69/80/27/856698027.db2.gz WRDFXEGQUZGNOF-BZUAXINKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818422 856698031 /nfs/dbraw/zinc/69/80/31/856698031.db2.gz WRDFXEGQUZGNOF-BZUAXINKSA-N 2 1 352.523 0.974 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950361 856745851 /nfs/dbraw/zinc/74/58/51/856745851.db2.gz DLFFFDSTZYUPRJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950361 856745859 /nfs/dbraw/zinc/74/58/59/856745859.db2.gz DLFFFDSTZYUPRJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001222017916 856768804 /nfs/dbraw/zinc/76/88/04/856768804.db2.gz CEKOEPCYICAWQN-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001222051349 856785528 /nfs/dbraw/zinc/78/55/28/856785528.db2.gz VRONBLAWTGQTKW-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001222051349 856785530 /nfs/dbraw/zinc/78/55/30/856785530.db2.gz VRONBLAWTGQTKW-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001222051349 856785533 /nfs/dbraw/zinc/78/55/33/856785533.db2.gz VRONBLAWTGQTKW-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053154 856787611 /nfs/dbraw/zinc/78/76/11/856787611.db2.gz HCMSMWBMCBBCII-BRWVUGGUSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053154 856787617 /nfs/dbraw/zinc/78/76/17/856787617.db2.gz HCMSMWBMCBBCII-BRWVUGGUSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053154 856787621 /nfs/dbraw/zinc/78/76/21/856787621.db2.gz HCMSMWBMCBBCII-BRWVUGGUSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053154 856787626 /nfs/dbraw/zinc/78/76/26/856787626.db2.gz HCMSMWBMCBBCII-BRWVUGGUSA-N 2 1 350.507 0.869 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089865 856798759 /nfs/dbraw/zinc/79/87/59/856798759.db2.gz XGYIAYOPOAYKIX-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089865 856798762 /nfs/dbraw/zinc/79/87/62/856798762.db2.gz XGYIAYOPOAYKIX-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1)[NH+](C)C ZINC001222959183 856885197 /nfs/dbraw/zinc/88/51/97/856885197.db2.gz OURPFKYLIDQCJG-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1)[NH+](C)C ZINC001222959183 856885208 /nfs/dbraw/zinc/88/52/08/856885208.db2.gz OURPFKYLIDQCJG-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001223240261 856903834 /nfs/dbraw/zinc/90/38/34/856903834.db2.gz TXVJPWXFUGCIJP-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001223240261 856903840 /nfs/dbraw/zinc/90/38/40/856903840.db2.gz TXVJPWXFUGCIJP-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223416399 856915072 /nfs/dbraw/zinc/91/50/72/856915072.db2.gz WFNHAFUYFLXFDO-WBVHZDCISA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)CS(C)(=O)=O ZINC001223425087 856915192 /nfs/dbraw/zinc/91/51/92/856915192.db2.gz LPRYVVZAVGGGMS-OAGGEKHMSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC001223430845 856916565 /nfs/dbraw/zinc/91/65/65/856916565.db2.gz QOWGGNGMABQVCR-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H](COCC(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223534237 856924454 /nfs/dbraw/zinc/92/44/54/856924454.db2.gz IMDPWUCYCZMUGZ-KSZLIROESA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC[C@H]3CCOC3)[C@H]2C1 ZINC001223916249 856951059 /nfs/dbraw/zinc/95/10/59/856951059.db2.gz CPDXDTXQRZLIED-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001224233070 856970408 /nfs/dbraw/zinc/97/04/08/856970408.db2.gz HUPUISAWBUMUQL-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001224233070 856970413 /nfs/dbraw/zinc/97/04/13/856970413.db2.gz HUPUISAWBUMUQL-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001224233070 856970418 /nfs/dbraw/zinc/97/04/18/856970418.db2.gz HUPUISAWBUMUQL-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001225347045 857035922 /nfs/dbraw/zinc/03/59/22/857035922.db2.gz VIKJHSMJXGNWNJ-JHJVBQTASA-N 2 1 366.491 0.588 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225347036 857036261 /nfs/dbraw/zinc/03/62/61/857036261.db2.gz VFNWVUVLMFWCFV-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226162284 857086731 /nfs/dbraw/zinc/08/67/31/857086731.db2.gz YXTJYKPLBVYYDN-MCIONIFRSA-N 2 1 353.467 0.071 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001227150634 857147064 /nfs/dbraw/zinc/14/70/64/857147064.db2.gz WWBQFJAFOAGRHI-JHJVBQTASA-N 2 1 355.483 0.317 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001227443865 857160241 /nfs/dbraw/zinc/16/02/41/857160241.db2.gz LLIQLVGIGJTGCB-JJRVBVJISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001227443865 857160244 /nfs/dbraw/zinc/16/02/44/857160244.db2.gz LLIQLVGIGJTGCB-JJRVBVJISA-N 2 1 350.507 0.822 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)n1 ZINC001228254740 857198321 /nfs/dbraw/zinc/19/83/21/857198321.db2.gz GSZVFUWEPYQVIH-ZIAGYGMSSA-N 2 1 352.483 0.994 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001228593419 857217243 /nfs/dbraw/zinc/21/72/43/857217243.db2.gz BXQLLUHDBJXRKD-ARFHVFGLSA-N 2 1 359.536 0.922 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229237391 857260128 /nfs/dbraw/zinc/26/01/28/857260128.db2.gz CMGMDTZYWYTCID-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229504250 857272526 /nfs/dbraw/zinc/27/25/26/857272526.db2.gz SDWYZGNBUYKVES-ZIAGYGMSSA-N 2 1 355.483 0.191 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138022 857305736 /nfs/dbraw/zinc/30/57/36/857305736.db2.gz CFGALLJJNXVTMD-BZUAXINKSA-N 2 1 354.495 0.108 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138894 857306665 /nfs/dbraw/zinc/30/66/65/857306665.db2.gz VMRJLPJQDHCXKT-GVDBMIGSSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279467133 862897322 /nfs/dbraw/zinc/89/73/22/862897322.db2.gz IQKCSQOKRDSPMN-BRWVUGGUSA-N 2 1 350.507 0.239 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001230284654 857322788 /nfs/dbraw/zinc/32/27/88/857322788.db2.gz PJCDHKQCUSGQCH-HZPDHXFCSA-N 2 1 354.495 0.202 20 0 FCADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284543 857322866 /nfs/dbraw/zinc/32/28/66/857322866.db2.gz KBNZDSWJPXOSMW-GVDBMIGSSA-N 2 1 359.511 0.368 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001234403297 857404443 /nfs/dbraw/zinc/40/44/43/857404443.db2.gz TYJHGOSEDWLJDG-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCNC(=O)C2CC2)CC[N@H+]1C ZINC001234403297 857404451 /nfs/dbraw/zinc/40/44/51/857404451.db2.gz TYJHGOSEDWLJDG-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCNC(=O)C2CC2)CC[NH+]1C ZINC001234403297 857404454 /nfs/dbraw/zinc/40/44/54/857404454.db2.gz TYJHGOSEDWLJDG-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCNC(=O)C2CC2)CC[NH+]1C ZINC001234403297 857404460 /nfs/dbraw/zinc/40/44/60/857404460.db2.gz TYJHGOSEDWLJDG-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP COc1nc(OC)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1Br ZINC001234994286 857417601 /nfs/dbraw/zinc/41/76/01/857417601.db2.gz RHCHLRCQMFTIJI-HNNXBMFYSA-N 2 1 371.279 0.999 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@@H]1CNCCO1)C2 ZINC001235326347 857422222 /nfs/dbraw/zinc/42/22/22/857422222.db2.gz WNOMHCJHCOKOQO-TXPKVOOTSA-N 2 1 351.491 0.620 20 0 FCADMP COC(=O)c1csc(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)n1 ZINC001236035506 857435797 /nfs/dbraw/zinc/43/57/97/857435797.db2.gz DQTUHANKSXIBAX-DRAKQNMHSA-N 2 1 365.455 0.760 20 0 FCADMP COC(=O)c1csc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)n1 ZINC001236035506 857435798 /nfs/dbraw/zinc/43/57/98/857435798.db2.gz DQTUHANKSXIBAX-DRAKQNMHSA-N 2 1 365.455 0.760 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+](Cc2nc3c(s2)C[NH2+]CC3)CCC12C[NH2+]C2 ZINC001237430656 857452939 /nfs/dbraw/zinc/45/29/39/857452939.db2.gz LQVXCXQJBTVRBO-LBPRGKRZSA-N 3 1 350.488 0.763 20 0 FCADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)CCC12C[NH2+]C2 ZINC001237430656 857452946 /nfs/dbraw/zinc/45/29/46/857452946.db2.gz LQVXCXQJBTVRBO-LBPRGKRZSA-N 3 1 350.488 0.763 20 0 FCADMP COc1cccc(OC)c1C[NH+]1CCC(N(C)S(=O)(=O)CC[NH3+])CC1 ZINC001239083787 857511791 /nfs/dbraw/zinc/51/17/91/857511791.db2.gz JLZWWNNWCSWZKL-UHFFFAOYSA-N 2 1 371.503 0.889 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020055 857564747 /nfs/dbraw/zinc/56/47/47/857564747.db2.gz HCQOGJXPFCTFHI-UAGQMJEPSA-N 2 1 350.459 0.753 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246027559 857565648 /nfs/dbraw/zinc/56/56/48/857565648.db2.gz HSQJASVNCJRLSA-DLBZAZTESA-N 3 1 354.445 0.223 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC2(CC[NH2+]CC2)C1 ZINC001246027559 857565653 /nfs/dbraw/zinc/56/56/53/857565653.db2.gz HSQJASVNCJRLSA-DLBZAZTESA-N 2 1 354.445 0.223 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@@]1(O)CC[NH2+]C1)C2 ZINC001246031588 857566372 /nfs/dbraw/zinc/56/63/72/857566372.db2.gz CIQNLXQVTCQDMB-KFKAGJAMSA-N 3 1 351.491 0.356 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)O3)C[C@H](C1)N2 ZINC001246136568 857569314 /nfs/dbraw/zinc/56/93/14/857569314.db2.gz SCSKQOZEWPRHBP-ZKLCHKPXSA-N 2 1 351.491 0.949 20 0 FCADMP CC(C)[C@H]1C[C@@H](NCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215913 857571443 /nfs/dbraw/zinc/57/14/43/857571443.db2.gz KTPWMTCPZFBAES-ZWKOTPCHSA-N 2 1 361.527 0.378 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545296 857584740 /nfs/dbraw/zinc/58/47/40/857584740.db2.gz AVVRHCVETKNILV-UKRRQHHQSA-N 2 1 352.472 0.896 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246673664 857589402 /nfs/dbraw/zinc/58/94/02/857589402.db2.gz PFSHDBCWMHQFPT-YYFQZIEXSA-N 2 1 353.463 0.284 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246721434 857593725 /nfs/dbraw/zinc/59/37/25/857593725.db2.gz NGJKNGBDAMXXJA-VXIBKDFQSA-N 2 1 351.491 0.570 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246721434 857593733 /nfs/dbraw/zinc/59/37/33/857593733.db2.gz NGJKNGBDAMXXJA-VXIBKDFQSA-N 2 1 351.491 0.570 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCNCC[NH2+]CCNCC1)C2 ZINC001246824414 857602196 /nfs/dbraw/zinc/60/21/96/857602196.db2.gz XBXKBAFXLBJAPQ-FVQHAEBGSA-N 2 1 353.511 0.223 20 0 FCADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)C1 ZINC001246860086 857604660 /nfs/dbraw/zinc/60/46/60/857604660.db2.gz SJAJXUKOVWCTGC-VAVSNJLASA-N 2 1 351.447 0.548 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCN[C@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859607 857604687 /nfs/dbraw/zinc/60/46/87/857604687.db2.gz PVGVHULFGOCEGZ-ULSDXFBPSA-N 2 1 361.408 1.000 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279518434 862933830 /nfs/dbraw/zinc/93/38/30/862933830.db2.gz VKVYEKWAZGPTBV-CRAIPNDOSA-N 2 1 354.495 0.014 20 0 FCADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H](O)CO)CC3)C2)c1 ZINC001252058417 857781387 /nfs/dbraw/zinc/78/13/87/857781387.db2.gz BZZZIXGWTGEKFI-KRWDZBQOSA-N 2 1 350.459 0.715 20 0 FCADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@H](O)CO)CC3)C2)c1 ZINC001252058417 857781397 /nfs/dbraw/zinc/78/13/97/857781397.db2.gz BZZZIXGWTGEKFI-KRWDZBQOSA-N 2 1 350.459 0.715 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253185370 857870403 /nfs/dbraw/zinc/87/04/03/857870403.db2.gz FZMAKLGQDRWKLT-VQHPVUNQSA-N 2 1 355.479 0.047 20 0 FCADMP COCC[N@H+]1CCOC[C@@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253388277 857883847 /nfs/dbraw/zinc/88/38/47/857883847.db2.gz DXMVZLNINNXHGH-MJGOQNOKSA-N 2 1 357.539 0.796 20 0 FCADMP CN(C)C(=O)CN1CCC2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253391602 857885020 /nfs/dbraw/zinc/88/50/20/857885020.db2.gz TYGAXPRATYXCOR-MRXNPFEDSA-N 2 1 354.539 0.754 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253391602 857885032 /nfs/dbraw/zinc/88/50/32/857885032.db2.gz TYGAXPRATYXCOR-MRXNPFEDSA-N 2 1 354.539 0.754 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)N4CCOCC4)CC3)[C@H]2C1 ZINC001279594449 862972124 /nfs/dbraw/zinc/97/21/24/862972124.db2.gz XIZXVTGDKZNNPB-HOTGVXAUSA-N 2 1 350.507 0.239 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001279609921 862977507 /nfs/dbraw/zinc/97/75/07/862977507.db2.gz ZTSVLJGQFHNOFP-KRWDZBQOSA-N 2 1 358.552 0.923 20 0 FCADMP C[NH+]1CCC([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001256203562 858056849 /nfs/dbraw/zinc/05/68/49/858056849.db2.gz JKDLKXSMXUDBDI-QGZVFWFLSA-N 2 1 351.491 0.668 20 0 FCADMP C[NH+]1CCC([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001256203562 858056855 /nfs/dbraw/zinc/05/68/55/858056855.db2.gz JKDLKXSMXUDBDI-QGZVFWFLSA-N 2 1 351.491 0.668 20 0 FCADMP Cn1cnc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)c1 ZINC001279615121 862980935 /nfs/dbraw/zinc/98/09/35/862980935.db2.gz JQWJIYXZIDDVBA-MQVJKMGUSA-N 2 1 367.519 0.693 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CCCCOC)C[C@H]12 ZINC001279726970 863027793 /nfs/dbraw/zinc/02/77/93/863027793.db2.gz OMXAOOLNZOABNW-JKSUJKDBSA-N 2 1 354.495 0.900 20 0 FCADMP O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001261436742 858548134 /nfs/dbraw/zinc/54/81/34/858548134.db2.gz KERJZYWLCAXWMC-QGZVFWFLSA-N 2 1 368.499 0.283 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001262614824 859018816 /nfs/dbraw/zinc/01/88/16/859018816.db2.gz RGDOZOWPDQRLEG-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001262614824 859018823 /nfs/dbraw/zinc/01/88/23/859018823.db2.gz RGDOZOWPDQRLEG-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001262614824 859018828 /nfs/dbraw/zinc/01/88/28/859018828.db2.gz RGDOZOWPDQRLEG-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001263103723 859101790 /nfs/dbraw/zinc/10/17/90/859101790.db2.gz JSYNFHAHZAACER-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001264650011 859413454 /nfs/dbraw/zinc/41/34/54/859413454.db2.gz AMZRPMHQBJAJCJ-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001266285510 859476567 /nfs/dbraw/zinc/47/65/67/859476567.db2.gz BVRNBSHKVWPUMA-FGTMMUONSA-N 2 1 352.523 0.630 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](CO)n1ccnc1)C2 ZINC001272468355 860161109 /nfs/dbraw/zinc/16/11/09/860161109.db2.gz YMHKUDRVLGTVOG-QLFBSQMISA-N 2 1 361.471 0.914 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822609 860272249 /nfs/dbraw/zinc/27/22/49/860272249.db2.gz ZXPZISCNDAXOGL-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001273453153 860493852 /nfs/dbraw/zinc/49/38/52/860493852.db2.gz HRALCINMALATLC-CVEARBPZSA-N 2 1 350.507 0.587 20 0 FCADMP CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274305662 860727421 /nfs/dbraw/zinc/72/74/21/860727421.db2.gz LVJSLEFIKDXUDN-HDICACEKSA-N 2 1 354.539 0.972 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C[C@@H]21 ZINC001274923507 860872437 /nfs/dbraw/zinc/87/24/37/860872437.db2.gz DDAWXOFJSPEJNX-BZSNNMDCSA-N 2 1 350.507 0.334 20 0 FCADMP CCCC[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275104688 860933705 /nfs/dbraw/zinc/93/37/05/860933705.db2.gz YHQWFRFCMWTRAV-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP CCCC[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275104688 860933718 /nfs/dbraw/zinc/93/37/18/860933718.db2.gz YHQWFRFCMWTRAV-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP CCCC[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275104688 860933733 /nfs/dbraw/zinc/93/37/33/860933733.db2.gz YHQWFRFCMWTRAV-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP O=C1C[C@@]2(CN1C1COC1)COCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343192 861039810 /nfs/dbraw/zinc/03/98/10/861039810.db2.gz KKEMTDZWALMNSQ-LJQANCHMSA-N 2 1 351.491 0.812 20 0 FCADMP O=C1C[C@@]2(CN1C1COC1)COCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343192 861039833 /nfs/dbraw/zinc/03/98/33/861039833.db2.gz KKEMTDZWALMNSQ-LJQANCHMSA-N 2 1 351.491 0.812 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275557005 861129021 /nfs/dbraw/zinc/12/90/21/861129021.db2.gz RUNRVRYFPCFEBZ-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736419 861180114 /nfs/dbraw/zinc/18/01/14/861180114.db2.gz DPOFFRJQVXQDPU-CRAIPNDOSA-N 2 1 353.463 0.098 20 0 FCADMP CCN(CC)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001275738035 861182208 /nfs/dbraw/zinc/18/22/08/861182208.db2.gz RZDCCAGLMCPSJL-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743667 861187920 /nfs/dbraw/zinc/18/79/20/861187920.db2.gz UKMHUHYIYMAKLV-LPHOPBHVSA-N 2 1 350.507 0.907 20 0 FCADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280024693 863194563 /nfs/dbraw/zinc/19/45/63/863194563.db2.gz XSCCFZKLPGJEBF-CALCHBBNSA-N 2 1 355.479 0.110 20 0 FCADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280024693 863194571 /nfs/dbraw/zinc/19/45/71/863194571.db2.gz XSCCFZKLPGJEBF-CALCHBBNSA-N 2 1 355.479 0.110 20 0 FCADMP COCCOC[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280024693 863194584 /nfs/dbraw/zinc/19/45/84/863194584.db2.gz XSCCFZKLPGJEBF-CALCHBBNSA-N 2 1 355.479 0.110 20 0 FCADMP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280072363 863243482 /nfs/dbraw/zinc/24/34/82/863243482.db2.gz GWMRVZCJCCOGIA-CALCHBBNSA-N 2 1 354.520 0.962 20 0 FCADMP CCS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280072363 863243487 /nfs/dbraw/zinc/24/34/87/863243487.db2.gz GWMRVZCJCCOGIA-CALCHBBNSA-N 2 1 354.520 0.962 20 0 FCADMP CCS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280072363 863243498 /nfs/dbraw/zinc/24/34/98/863243498.db2.gz GWMRVZCJCCOGIA-CALCHBBNSA-N 2 1 354.520 0.962 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](C[C@H]4CCCOC4)C3)O2)CC1 ZINC001280135468 863286941 /nfs/dbraw/zinc/28/69/41/863286941.db2.gz IOKGEOLBADSGJF-NVXWUHKLSA-N 2 1 351.491 0.857 20 0 FCADMP CS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280138441 863289120 /nfs/dbraw/zinc/28/91/20/863289120.db2.gz YUZSDGQVJJFLEH-AEFFLSMTSA-N 2 1 371.547 0.639 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@@H]2C1 ZINC001280188648 863316059 /nfs/dbraw/zinc/31/60/59/863316059.db2.gz IOKYXEPMYNIGTR-BPLDGKMQSA-N 2 1 364.515 0.845 20 0 FCADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C(C(=O)N4CCCCO4)=NO[C@@H]3C2)CC1 ZINC001280215100 863342010 /nfs/dbraw/zinc/34/20/10/863342010.db2.gz JJUZTWZKTAAQDA-LSDHHAIUSA-N 2 1 350.463 0.959 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280257922 863364826 /nfs/dbraw/zinc/36/48/26/863364826.db2.gz YCXRAIPPEYPSEG-NVXWUHKLSA-N 2 1 357.520 0.201 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001284736414 864593801 /nfs/dbraw/zinc/59/38/01/864593801.db2.gz KEQCJACYIGSZTJ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001284736414 864593805 /nfs/dbraw/zinc/59/38/05/864593805.db2.gz KEQCJACYIGSZTJ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001284736414 864593814 /nfs/dbraw/zinc/59/38/14/864593814.db2.gz KEQCJACYIGSZTJ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001289499170 865101003 /nfs/dbraw/zinc/10/10/03/865101003.db2.gz DTURAZUXDVSZMM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)CC1 ZINC001298438277 866113932 /nfs/dbraw/zinc/11/39/32/866113932.db2.gz UETLFZBTFCKXJQ-SFHVURJKSA-N 2 1 366.575 0.910 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCCC1 ZINC001349064304 866221879 /nfs/dbraw/zinc/22/18/79/866221879.db2.gz HMZXWNWNSDUFMN-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCCC1 ZINC001349064304 866221891 /nfs/dbraw/zinc/22/18/91/866221891.db2.gz HMZXWNWNSDUFMN-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC001350018642 866491394 /nfs/dbraw/zinc/49/13/94/866491394.db2.gz FFSBKQNSCSJMSE-BZPMIXESSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC001350018642 866491399 /nfs/dbraw/zinc/49/13/99/866491399.db2.gz FFSBKQNSCSJMSE-BZPMIXESSA-N 2 1 350.488 0.464 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001350908084 866728373 /nfs/dbraw/zinc/72/83/73/866728373.db2.gz AMXDCNIWMGNSMC-JHJVBQTASA-N 2 1 350.385 0.520 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC001312009063 867134446 /nfs/dbraw/zinc/13/44/46/867134446.db2.gz FMWQIRCSVIESEA-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001312009063 867134454 /nfs/dbraw/zinc/13/44/54/867134454.db2.gz FMWQIRCSVIESEA-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC001312009063 867134461 /nfs/dbraw/zinc/13/44/61/867134461.db2.gz FMWQIRCSVIESEA-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001317541218 867539192 /nfs/dbraw/zinc/53/91/92/867539192.db2.gz VISFOKVLSJQUAK-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001317541218 867539206 /nfs/dbraw/zinc/53/92/06/867539206.db2.gz VISFOKVLSJQUAK-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001317541218 867539227 /nfs/dbraw/zinc/53/92/27/867539227.db2.gz VISFOKVLSJQUAK-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[C@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1CCOC ZINC001354157355 867556311 /nfs/dbraw/zinc/55/63/11/867556311.db2.gz BNKJQTHMTXXJAZ-JKSUJKDBSA-N 2 1 354.495 0.143 20 0 FCADMP O=S1(=O)CCCC[C@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001320090481 868080444 /nfs/dbraw/zinc/08/04/44/868080444.db2.gz BLMOPIYFPOWPMZ-KRWDZBQOSA-N 2 1 359.536 0.340 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1C ZINC001320231248 868115365 /nfs/dbraw/zinc/11/53/65/868115365.db2.gz LGNBDKJQTCQGSH-FVQBIDKESA-N 2 1 351.495 0.545 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001358607107 868237718 /nfs/dbraw/zinc/23/77/18/868237718.db2.gz YWXDMIQTYZDHRH-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725976 868920466 /nfs/dbraw/zinc/92/04/66/868920466.db2.gz ZGYDRYGOJGRXCD-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725976 868920474 /nfs/dbraw/zinc/92/04/74/868920474.db2.gz ZGYDRYGOJGRXCD-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001325515825 869919620 /nfs/dbraw/zinc/91/96/20/869919620.db2.gz LDGFIPUQOFVWQE-GOEBONIOSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001325515825 869919628 /nfs/dbraw/zinc/91/96/28/869919628.db2.gz LDGFIPUQOFVWQE-GOEBONIOSA-N 2 1 354.495 0.155 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC(F)(F)C1 ZINC001326546469 870375493 /nfs/dbraw/zinc/37/54/93/870375493.db2.gz AZWZGCFEWSERPC-UHFFFAOYSA-N 2 1 360.449 0.729 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC(F)(F)C1 ZINC001326546469 870375518 /nfs/dbraw/zinc/37/55/18/870375518.db2.gz AZWZGCFEWSERPC-UHFFFAOYSA-N 2 1 360.449 0.729 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001343434023 870423088 /nfs/dbraw/zinc/42/30/88/870423088.db2.gz LPLXVMBIYDGCTB-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001343434023 870423097 /nfs/dbraw/zinc/42/30/97/870423097.db2.gz LPLXVMBIYDGCTB-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001343434023 870423107 /nfs/dbraw/zinc/42/31/07/870423107.db2.gz LPLXVMBIYDGCTB-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327406711 870847311 /nfs/dbraw/zinc/84/73/11/870847311.db2.gz HCBUPWOKDXHSAW-DOXZYTNZSA-N 2 1 350.507 0.810 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001328799777 871632872 /nfs/dbraw/zinc/63/28/72/871632872.db2.gz OPKHHAFBAMKUPY-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCCCC1 ZINC001346158521 871675531 /nfs/dbraw/zinc/67/55/31/871675531.db2.gz CMRMPOJEIGAVJT-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@H](CCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCCCC1 ZINC001346158521 871675543 /nfs/dbraw/zinc/67/55/43/871675543.db2.gz CMRMPOJEIGAVJT-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001328923945 871715717 /nfs/dbraw/zinc/71/57/17/871715717.db2.gz WBMRUWDCWYEQLE-CABCVRRESA-N 2 1 350.507 0.776 20 0 FCADMP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001328923945 871715723 /nfs/dbraw/zinc/71/57/23/871715723.db2.gz WBMRUWDCWYEQLE-CABCVRRESA-N 2 1 350.507 0.776 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309383 871765805 /nfs/dbraw/zinc/76/58/05/871765805.db2.gz XOSIHKMMUKLUKA-AWEZNQCLSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309383 871765814 /nfs/dbraw/zinc/76/58/14/871765814.db2.gz XOSIHKMMUKLUKA-AWEZNQCLSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309384 871765885 /nfs/dbraw/zinc/76/58/85/871765885.db2.gz XOSIHKMMUKLUKA-CQSZACIVSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309384 871765890 /nfs/dbraw/zinc/76/58/90/871765890.db2.gz XOSIHKMMUKLUKA-CQSZACIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C)CC1 ZINC001346696765 871962723 /nfs/dbraw/zinc/96/27/23/871962723.db2.gz UYPKVDAYROPFRB-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001346696765 871962730 /nfs/dbraw/zinc/96/27/30/871962730.db2.gz UYPKVDAYROPFRB-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001346696765 871962734 /nfs/dbraw/zinc/96/27/34/871962734.db2.gz UYPKVDAYROPFRB-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001330593640 872722454 /nfs/dbraw/zinc/72/24/54/872722454.db2.gz VSXCREJZJRGZHI-PWSUYJOCSA-N 2 1 354.405 0.964 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001348568333 872725874 /nfs/dbraw/zinc/72/58/74/872725874.db2.gz OEYQLRYCEYZTRZ-HNNXBMFYSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663074 872757005 /nfs/dbraw/zinc/75/70/05/872757005.db2.gz GPEJFTFCBJFQIF-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001331138754 872978513 /nfs/dbraw/zinc/97/85/13/872978513.db2.gz CMLXBJNINDIOEV-IMJJTQAJSA-N 2 1 354.495 0.093 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001331666382 873186999 /nfs/dbraw/zinc/18/69/99/873186999.db2.gz CQYKBLTYRCJBEU-HDJSIYSDSA-N 2 1 350.488 0.288 20 0 FCADMP CCN(C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001332234353 873417824 /nfs/dbraw/zinc/41/78/24/873417824.db2.gz WPRCVIWCJJCCEH-HLLBOEOZSA-N 2 1 350.507 0.966 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001332517415 873540611 /nfs/dbraw/zinc/54/06/11/873540611.db2.gz QSTZTVBZZZAXNU-QZTJIDSGSA-N 2 1 352.523 0.759 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001332628404 873588000 /nfs/dbraw/zinc/58/80/00/873588000.db2.gz QAIQGZVHCZXKHT-YLFCFFPRSA-N 2 1 353.511 0.160 20 0 FCADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333256960 873878700 /nfs/dbraw/zinc/87/87/00/873878700.db2.gz BUVVPUNTNMEFCF-SCTDSRPQSA-N 2 1 352.523 0.807 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(CCCCO3)CC1)C2=O ZINC001333322609 873909497 /nfs/dbraw/zinc/90/94/97/873909497.db2.gz FECYWQUTBIZQEL-UHFFFAOYSA-N 2 1 350.463 0.995 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CC(CO)(CO)C3)CC2)CC1 ZINC001333424574 873949494 /nfs/dbraw/zinc/94/94/94/873949494.db2.gz KXVWBSGICOZFPU-UHFFFAOYSA-N 2 1 353.507 0.432 20 0 FCADMP COC[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826151772 947480622 /nfs/dbraw/zinc/48/06/22/947480622.db2.gz JGLONBAUZXLJBX-KRWDZBQOSA-N 2 1 360.462 0.818 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576193611 950305597 /nfs/dbraw/zinc/30/55/97/950305597.db2.gz UTZZBORUVXXCGS-OLZOCXBDSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203697 950447927 /nfs/dbraw/zinc/44/79/27/950447927.db2.gz IMQWERSEVMWCFF-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206255 950563581 /nfs/dbraw/zinc/56/35/81/950563581.db2.gz VVEZZJRWZHVHHS-KBPBESRZSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206216 950566395 /nfs/dbraw/zinc/56/63/95/950566395.db2.gz VQFPBAMGYNIMTL-KBPBESRZSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207396 950593001 /nfs/dbraw/zinc/59/30/01/950593001.db2.gz HCIVEGAMLOTXOB-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207396 950593021 /nfs/dbraw/zinc/59/30/21/950593021.db2.gz HCIVEGAMLOTXOB-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207396 950593032 /nfs/dbraw/zinc/59/30/32/950593032.db2.gz HCIVEGAMLOTXOB-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983463 950680682 /nfs/dbraw/zinc/68/06/82/950680682.db2.gz PJRHEOZBCJGZBL-SWLSCSKDSA-N 2 1 356.434 0.099 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576215462 950701274 /nfs/dbraw/zinc/70/12/74/950701274.db2.gz VNCGVTOTMIRNHF-BPUTZDHNSA-N 2 1 369.473 0.945 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040160 951663926 /nfs/dbraw/zinc/66/39/26/951663926.db2.gz NNSLWMLKMASBSN-HNNXBMFYSA-N 2 1 367.457 0.653 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575093016 951797140 /nfs/dbraw/zinc/79/71/40/951797140.db2.gz GURZKTMQIZMBTR-XJKSGUPXSA-N 2 1 357.462 0.755 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001571062732 951957362 /nfs/dbraw/zinc/95/73/62/951957362.db2.gz BEFLZGZQQFTVDU-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571062732 951957373 /nfs/dbraw/zinc/95/73/73/951957373.db2.gz BEFLZGZQQFTVDU-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001571062732 951957381 /nfs/dbraw/zinc/95/73/81/951957381.db2.gz BEFLZGZQQFTVDU-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064637 951977304 /nfs/dbraw/zinc/97/73/04/951977304.db2.gz WASJUTQFTNXTPT-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064637 951977315 /nfs/dbraw/zinc/97/73/15/951977315.db2.gz WASJUTQFTNXTPT-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064637 951977322 /nfs/dbraw/zinc/97/73/22/951977322.db2.gz WASJUTQFTNXTPT-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571075734 952096062 /nfs/dbraw/zinc/09/60/62/952096062.db2.gz BOWMCIMYKRGQEL-XJKCOSOUSA-N 2 1 370.461 0.284 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077494 952119313 /nfs/dbraw/zinc/11/93/13/952119313.db2.gz BWZFLUOEMGCIGH-DZGCQCFKSA-N 2 1 370.461 0.749 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078135 952125798 /nfs/dbraw/zinc/12/57/98/952125798.db2.gz LWFDYRMQPVFEIR-KGLIPLIRSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078135 952125803 /nfs/dbraw/zinc/12/58/03/952125803.db2.gz LWFDYRMQPVFEIR-KGLIPLIRSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571078989 952137808 /nfs/dbraw/zinc/13/78/08/952137808.db2.gz ZYHIMTKVYKXDCH-IHRRRGAJSA-N 2 1 370.461 0.475 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CC1 ZINC000292955634 214134237 /nfs/dbraw/zinc/13/42/37/214134237.db2.gz KXOYDOQHKOAZEB-GOSISDBHSA-N 2 1 358.486 0.584 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CC1 ZINC000292955634 214134240 /nfs/dbraw/zinc/13/42/40/214134240.db2.gz KXOYDOQHKOAZEB-GOSISDBHSA-N 2 1 358.486 0.584 20 0 FCADMP CC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265921169 210250209 /nfs/dbraw/zinc/25/02/09/210250209.db2.gz UQXURTCULOVVRF-IBGZPJMESA-N 2 1 374.485 0.168 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)C1 ZINC000410779413 529798875 /nfs/dbraw/zinc/79/88/75/529798875.db2.gz JTSAZAYRLMAKAI-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410779413 529798877 /nfs/dbraw/zinc/79/88/77/529798877.db2.gz JTSAZAYRLMAKAI-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410779413 529798878 /nfs/dbraw/zinc/79/88/78/529798878.db2.gz JTSAZAYRLMAKAI-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923268 529810427 /nfs/dbraw/zinc/81/04/27/529810427.db2.gz BKCCZNFGPVMMOX-PXNSSMCTSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@@H+](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000412469541 529833492 /nfs/dbraw/zinc/83/34/92/529833492.db2.gz XHXHQZXHOXYGBI-MRXNPFEDSA-N 2 1 370.563 0.337 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410843288 529861282 /nfs/dbraw/zinc/86/12/82/529861282.db2.gz MOJCDMNRDOPGQW-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410843288 529861284 /nfs/dbraw/zinc/86/12/84/529861284.db2.gz MOJCDMNRDOPGQW-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410843288 529861285 /nfs/dbraw/zinc/86/12/85/529861285.db2.gz MOJCDMNRDOPGQW-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472843 529861470 /nfs/dbraw/zinc/86/14/70/529861470.db2.gz SFUJYQUVFUXRQF-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410841134 529861736 /nfs/dbraw/zinc/86/17/36/529861736.db2.gz GSAAZPDQAQTQHN-YLJYHZDGSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410841134 529861737 /nfs/dbraw/zinc/86/17/37/529861737.db2.gz GSAAZPDQAQTQHN-YLJYHZDGSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410841134 529861738 /nfs/dbraw/zinc/86/17/38/529861738.db2.gz GSAAZPDQAQTQHN-YLJYHZDGSA-N 2 1 362.518 0.731 20 0 FCADMP CNC(=O)NC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000412057655 529882402 /nfs/dbraw/zinc/88/24/02/529882402.db2.gz YMMFYDWXMHGOGR-KRWDZBQOSA-N 2 1 361.490 0.799 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410556161 529886217 /nfs/dbraw/zinc/88/62/17/529886217.db2.gz JJLCOPCQDQDYME-KRWDZBQOSA-N 2 1 366.506 0.111 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410969620 529931370 /nfs/dbraw/zinc/93/13/70/529931370.db2.gz FXMYWOUPOCFVLA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410969620 529931371 /nfs/dbraw/zinc/93/13/71/529931371.db2.gz FXMYWOUPOCFVLA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410969620 529931372 /nfs/dbraw/zinc/93/13/72/529931372.db2.gz FXMYWOUPOCFVLA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000410781700 529965110 /nfs/dbraw/zinc/96/51/10/529965110.db2.gz CLAJEKWBESJTMT-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410781700 529965111 /nfs/dbraw/zinc/96/51/11/529965111.db2.gz CLAJEKWBESJTMT-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410781700 529965112 /nfs/dbraw/zinc/96/51/12/529965112.db2.gz CLAJEKWBESJTMT-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)C2)CC1 ZINC000410965301 530050944 /nfs/dbraw/zinc/05/09/44/530050944.db2.gz BLKMKOWWRQSGIG-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)C2)CC1 ZINC000410965302 530051033 /nfs/dbraw/zinc/05/10/33/530051033.db2.gz BLKMKOWWRQSGIG-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC[C@@H]21 ZINC000331550771 215012638 /nfs/dbraw/zinc/01/26/38/215012638.db2.gz JGTFFAHAWXLZNJ-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331550771 215012641 /nfs/dbraw/zinc/01/26/41/215012641.db2.gz JGTFFAHAWXLZNJ-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000331550771 215012646 /nfs/dbraw/zinc/01/26/46/215012646.db2.gz JGTFFAHAWXLZNJ-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564670 215015802 /nfs/dbraw/zinc/01/58/02/215015802.db2.gz KVSRSRYLTYFSCP-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564670 215015805 /nfs/dbraw/zinc/01/58/05/215015805.db2.gz KVSRSRYLTYFSCP-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000331600579 215021439 /nfs/dbraw/zinc/02/14/39/215021439.db2.gz OTJMSBORMHDGKF-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331625461 215025819 /nfs/dbraw/zinc/02/58/19/215025819.db2.gz KOUHTLVOVXQOPV-JKIFEVAISA-N 2 1 354.520 0.235 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000331640909 215026437 /nfs/dbraw/zinc/02/64/37/215026437.db2.gz UPRWTRRQZGCXHW-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000331640909 215026439 /nfs/dbraw/zinc/02/64/39/215026439.db2.gz UPRWTRRQZGCXHW-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331640909 215026441 /nfs/dbraw/zinc/02/64/41/215026441.db2.gz UPRWTRRQZGCXHW-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331640909 215026443 /nfs/dbraw/zinc/02/64/43/215026443.db2.gz UPRWTRRQZGCXHW-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCCC1 ZINC000331692027 215035176 /nfs/dbraw/zinc/03/51/76/215035176.db2.gz VFHSQYPCGOKYPF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCCCC1 ZINC000331711145 215037805 /nfs/dbraw/zinc/03/78/05/215037805.db2.gz KUYXLYZIBAOEPO-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000331728350 215040253 /nfs/dbraw/zinc/04/02/53/215040253.db2.gz ZHRPEBCTMJGRCO-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000331728350 215040256 /nfs/dbraw/zinc/04/02/56/215040256.db2.gz ZHRPEBCTMJGRCO-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000331728350 215040259 /nfs/dbraw/zinc/04/02/59/215040259.db2.gz ZHRPEBCTMJGRCO-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000331903063 215064903 /nfs/dbraw/zinc/06/49/03/215064903.db2.gz KPSGQQOVEHFAFS-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000331903063 215064905 /nfs/dbraw/zinc/06/49/05/215064905.db2.gz KPSGQQOVEHFAFS-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000332061497 215086160 /nfs/dbraw/zinc/08/61/60/215086160.db2.gz YDMHQXLSEDKQRR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000332061497 215086163 /nfs/dbraw/zinc/08/61/63/215086163.db2.gz YDMHQXLSEDKQRR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332061497 215086165 /nfs/dbraw/zinc/08/61/65/215086165.db2.gz YDMHQXLSEDKQRR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000264991058 210034113 /nfs/dbraw/zinc/03/41/13/210034113.db2.gz BPMVBDQEZSDYSI-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000332128373 215097955 /nfs/dbraw/zinc/09/79/55/215097955.db2.gz HNFHLJHXWPEKOF-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000332128373 215097958 /nfs/dbraw/zinc/09/79/58/215097958.db2.gz HNFHLJHXWPEKOF-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000332128373 215097962 /nfs/dbraw/zinc/09/79/62/215097962.db2.gz HNFHLJHXWPEKOF-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332273724 215121028 /nfs/dbraw/zinc/12/10/28/215121028.db2.gz GNJZWZXWLNYFFP-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332273724 215121032 /nfs/dbraw/zinc/12/10/32/215121032.db2.gz GNJZWZXWLNYFFP-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332292367 215123678 /nfs/dbraw/zinc/12/36/78/215123678.db2.gz CTDZCJOOOLWGDD-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332455382 215155748 /nfs/dbraw/zinc/15/57/48/215155748.db2.gz UPPZEORABYUCHR-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332455382 215155752 /nfs/dbraw/zinc/15/57/52/215155752.db2.gz UPPZEORABYUCHR-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000332480583 215159465 /nfs/dbraw/zinc/15/94/65/215159465.db2.gz MLDHBRPGWLGXNO-WMLDXEAASA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000332480583 215159469 /nfs/dbraw/zinc/15/94/69/215159469.db2.gz MLDHBRPGWLGXNO-WMLDXEAASA-N 2 1 359.474 0.635 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333163338 215243440 /nfs/dbraw/zinc/24/34/40/215243440.db2.gz GVNQGXVPOAYJNZ-ZACQAIPSSA-N 2 1 358.490 0.595 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000333258290 215255219 /nfs/dbraw/zinc/25/52/19/215255219.db2.gz LRQGMGBJSUAKBV-WMLDXEAASA-N 2 1 358.552 0.910 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333356025 215268618 /nfs/dbraw/zinc/26/86/18/215268618.db2.gz KIACALGCPROAHE-XHSDSOJGSA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000333439691 215281919 /nfs/dbraw/zinc/28/19/19/215281919.db2.gz VWWZJIWOPOIMHI-YOEHRIQHSA-N 2 1 369.535 0.030 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490586 215288450 /nfs/dbraw/zinc/28/84/50/215288450.db2.gz DGDIVXZQLQROBN-HIFRSBDPSA-N 2 1 363.428 0.560 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333484391 215288574 /nfs/dbraw/zinc/28/85/74/215288574.db2.gz CMPOJMHQCOQMMM-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333484391 215288575 /nfs/dbraw/zinc/28/85/75/215288575.db2.gz CMPOJMHQCOQMMM-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333526032 215293916 /nfs/dbraw/zinc/29/39/16/215293916.db2.gz HFYXORCTBYFVAP-KRWDZBQOSA-N 2 1 363.506 0.609 20 0 FCADMP C[C@H](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000333605521 215300769 /nfs/dbraw/zinc/30/07/69/215300769.db2.gz PZPXCYFOLQEMQZ-IAGOWNOFSA-N 2 1 365.522 0.857 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000333785321 215318956 /nfs/dbraw/zinc/31/89/56/215318956.db2.gz CJRWAGQYCONIFW-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000333785321 215318959 /nfs/dbraw/zinc/31/89/59/215318959.db2.gz CJRWAGQYCONIFW-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333874086 215327031 /nfs/dbraw/zinc/32/70/31/215327031.db2.gz PZEYEFWYYFUIIF-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333874086 215327033 /nfs/dbraw/zinc/32/70/33/215327033.db2.gz PZEYEFWYYFUIIF-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C(=O)N1CCCCC1 ZINC000333874439 215327287 /nfs/dbraw/zinc/32/72/87/215327287.db2.gz SOICIPSCGWMJKA-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333902308 215329515 /nfs/dbraw/zinc/32/95/15/215329515.db2.gz ZLRGVJDBQNUDLM-ZBFHGGJFSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000333907216 215329869 /nfs/dbraw/zinc/32/98/69/215329869.db2.gz VQAKNAWZUNNSAV-DLBZAZTESA-N 2 1 366.506 0.746 20 0 FCADMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907216 215329871 /nfs/dbraw/zinc/32/98/71/215329871.db2.gz VQAKNAWZUNNSAV-DLBZAZTESA-N 2 1 366.506 0.746 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907216 215329875 /nfs/dbraw/zinc/32/98/75/215329875.db2.gz VQAKNAWZUNNSAV-DLBZAZTESA-N 2 1 366.506 0.746 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000333913276 215330898 /nfs/dbraw/zinc/33/08/98/215330898.db2.gz FTZCYGKVRJICFI-INIZCTEOSA-N 2 1 351.495 0.182 20 0 FCADMP NS(=O)(=O)CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285787194 213394862 /nfs/dbraw/zinc/39/48/62/213394862.db2.gz FDPNXDRHMSQLEM-GOSISDBHSA-N 2 1 366.531 0.557 20 0 FCADMP NS(=O)(=O)CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285787194 213394863 /nfs/dbraw/zinc/39/48/63/213394863.db2.gz FDPNXDRHMSQLEM-GOSISDBHSA-N 2 1 366.531 0.557 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCc1cccnc1-n1ccnc1C)C1CC1 ZINC000285565973 213359607 /nfs/dbraw/zinc/35/96/07/213359607.db2.gz RHBDCPOKJOMADA-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)C1CC1 ZINC000285565973 213359611 /nfs/dbraw/zinc/35/96/11/213359611.db2.gz RHBDCPOKJOMADA-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)C1CC1 ZINC000285565973 213359614 /nfs/dbraw/zinc/35/96/14/213359614.db2.gz RHBDCPOKJOMADA-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000285261639 213313638 /nfs/dbraw/zinc/31/36/38/213313638.db2.gz ZQUWNKOEYKKOAY-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261639 213313641 /nfs/dbraw/zinc/31/36/41/213313641.db2.gz ZQUWNKOEYKKOAY-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261639 213313642 /nfs/dbraw/zinc/31/36/42/213313642.db2.gz ZQUWNKOEYKKOAY-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989817 213261710 /nfs/dbraw/zinc/26/17/10/213261710.db2.gz SRYNCYPKVHNCKY-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C1CC1 ZINC000284963159 213257181 /nfs/dbraw/zinc/25/71/81/213257181.db2.gz JOJUGXJJRAVVGL-GOSISDBHSA-N 2 1 374.485 0.080 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000284963159 213257184 /nfs/dbraw/zinc/25/71/84/213257184.db2.gz JOJUGXJJRAVVGL-GOSISDBHSA-N 2 1 374.485 0.080 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000284963159 213257187 /nfs/dbraw/zinc/25/71/87/213257187.db2.gz JOJUGXJJRAVVGL-GOSISDBHSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666102 213193549 /nfs/dbraw/zinc/19/35/49/213193549.db2.gz UJWACGGDFHDJQA-BEFAXECRSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666102 213193551 /nfs/dbraw/zinc/19/35/51/213193551.db2.gz UJWACGGDFHDJQA-BEFAXECRSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284666102 213193553 /nfs/dbraw/zinc/19/35/53/213193553.db2.gz UJWACGGDFHDJQA-BEFAXECRSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284666102 213193555 /nfs/dbraw/zinc/19/35/55/213193555.db2.gz UJWACGGDFHDJQA-BEFAXECRSA-N 2 1 370.497 0.760 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000284627234 213183564 /nfs/dbraw/zinc/18/35/64/213183564.db2.gz YOZCYUYENUSGKT-UHFFFAOYSA-N 2 1 373.501 0.715 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284491346 213152574 /nfs/dbraw/zinc/15/25/74/213152574.db2.gz IAQCXJJTNYENCZ-OAHLLOKOSA-N 2 1 370.519 0.552 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284491346 213152577 /nfs/dbraw/zinc/15/25/77/213152577.db2.gz IAQCXJJTNYENCZ-OAHLLOKOSA-N 2 1 370.519 0.552 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284328429 213112542 /nfs/dbraw/zinc/11/25/42/213112542.db2.gz JRYWNDJCRYBPES-HUUCEWRRSA-N 2 1 350.463 0.989 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000284124984 213079847 /nfs/dbraw/zinc/07/98/47/213079847.db2.gz RNCOALQBPRMBOR-KZNAEPCWSA-N 2 1 358.486 0.958 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283981860 213048322 /nfs/dbraw/zinc/04/83/22/213048322.db2.gz GYRCMZOWWBEYNI-UHFFFAOYSA-N 2 1 350.463 0.059 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000413095574 237276117 /nfs/dbraw/zinc/27/61/17/237276117.db2.gz CUCVKGOMOAXFNS-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000413112031 237281372 /nfs/dbraw/zinc/28/13/72/237281372.db2.gz ULBKEJMGTMQPEC-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000413112031 237281378 /nfs/dbraw/zinc/28/13/78/237281378.db2.gz ULBKEJMGTMQPEC-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000413144268 237285374 /nfs/dbraw/zinc/28/53/74/237285374.db2.gz XPFPVHGOGGGFKI-IAGOWNOFSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000413144268 237285378 /nfs/dbraw/zinc/28/53/78/237285378.db2.gz XPFPVHGOGGGFKI-IAGOWNOFSA-N 2 1 354.495 0.602 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1)C1CC1 ZINC000246431168 209386559 /nfs/dbraw/zinc/38/65/59/209386559.db2.gz MUYDZHVZYSKZOX-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000246431168 209386562 /nfs/dbraw/zinc/38/65/62/209386562.db2.gz MUYDZHVZYSKZOX-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000246431168 209386565 /nfs/dbraw/zinc/38/65/65/209386565.db2.gz MUYDZHVZYSKZOX-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)N1CCOCC1 ZINC000245904821 209377834 /nfs/dbraw/zinc/37/78/34/209377834.db2.gz SWRBNDVHUHVADF-IXDOHACOSA-N 2 1 356.511 0.440 20 0 FCADMP N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000237844509 209360065 /nfs/dbraw/zinc/36/00/65/209360065.db2.gz JJEQMMSCQPYUFF-WMZOPIPTSA-N 2 1 367.453 0.681 20 0 FCADMP C[NH2+]C[C@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000237336092 209350200 /nfs/dbraw/zinc/35/02/00/209350200.db2.gz MIAMOQYLNGTBPX-HNNXBMFYSA-N 2 1 362.474 0.819 20 0 FCADMP CN(C(=O)NCCCN1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368360065 216237794 /nfs/dbraw/zinc/23/77/94/216237794.db2.gz GNHYCUPYCQMQCC-GOSISDBHSA-N 3 1 367.538 0.519 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC000368440781 216248212 /nfs/dbraw/zinc/24/82/12/216248212.db2.gz HNKTVRQRKXGAHN-IYBDPMFKSA-N 2 1 366.506 0.949 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC000368440781 216248213 /nfs/dbraw/zinc/24/82/13/216248213.db2.gz HNKTVRQRKXGAHN-IYBDPMFKSA-N 2 1 366.506 0.949 20 0 FCADMP CC(C)[NH+]1CCN(CCCN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000192760591 209304223 /nfs/dbraw/zinc/30/42/23/209304223.db2.gz CLBBTGJJOZEKHM-IBGZPJMESA-N 2 1 365.566 0.641 20 0 FCADMP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000368598202 216269369 /nfs/dbraw/zinc/26/93/69/216269369.db2.gz NJEBGCGSHSRESJ-ZDUSSCGKSA-N 2 1 353.385 0.478 20 0 FCADMP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1(CO)CCOCC1 ZINC000191037378 209281070 /nfs/dbraw/zinc/28/10/70/209281070.db2.gz KSBYJVAWBCXKHW-UHFFFAOYSA-N 2 1 362.474 0.594 20 0 FCADMP Cn1cc(N2CC[C@H]([NH+]3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000369194170 216361945 /nfs/dbraw/zinc/36/19/45/216361945.db2.gz ZLLCIRMHCPMOES-SFHVURJKSA-N 2 1 361.490 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369266812 216375245 /nfs/dbraw/zinc/37/52/45/216375245.db2.gz OHJWWHJNJRUPHC-HUUCEWRRSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369266812 216375248 /nfs/dbraw/zinc/37/52/48/216375248.db2.gz OHJWWHJNJRUPHC-HUUCEWRRSA-N 2 1 351.495 0.275 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407899 216398122 /nfs/dbraw/zinc/39/81/22/216398122.db2.gz NSXZGZYNLFDCOI-GDBMZVCRSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000189461647 209252973 /nfs/dbraw/zinc/25/29/73/209252973.db2.gz HJPSJCCQVCPMCM-INIZCTEOSA-N 2 1 354.539 0.752 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189340407 209249564 /nfs/dbraw/zinc/24/95/64/209249564.db2.gz MQOYCELAUWBYJC-HBFSDRIKSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189340407 209249567 /nfs/dbraw/zinc/24/95/67/209249567.db2.gz MQOYCELAUWBYJC-HBFSDRIKSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000187818899 209219420 /nfs/dbraw/zinc/21/94/20/209219420.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 1 374.485 0.874 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000187818899 209219417 /nfs/dbraw/zinc/21/94/17/209219417.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 1 374.485 0.874 20 0 FCADMP C[C@H](C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707901 212076973 /nfs/dbraw/zinc/07/69/73/212076973.db2.gz NYOATOBVQAUOAV-KGLIPLIRSA-N 2 1 364.519 0.529 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000415328317 245387989 /nfs/dbraw/zinc/38/79/89/245387989.db2.gz LTCBMLZTAQRMEY-LZWOXQAQSA-N 2 1 360.458 0.712 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000415328317 245387998 /nfs/dbraw/zinc/38/79/98/245387998.db2.gz LTCBMLZTAQRMEY-LZWOXQAQSA-N 2 1 360.458 0.712 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637011 217151559 /nfs/dbraw/zinc/15/15/59/217151559.db2.gz MIYMFNKLPMAWAL-WCVJEAGWSA-N 2 1 353.463 0.334 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637011 217151563 /nfs/dbraw/zinc/15/15/63/217151563.db2.gz MIYMFNKLPMAWAL-WCVJEAGWSA-N 2 1 353.463 0.334 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418831257 245856449 /nfs/dbraw/zinc/85/64/49/245856449.db2.gz KRIHTVLLZPFKIX-SFHVURJKSA-N 2 1 366.506 0.335 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418940896 245918542 /nfs/dbraw/zinc/91/85/42/245918542.db2.gz JTCCEWKCOQFZCB-IAGOWNOFSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000419058354 245963065 /nfs/dbraw/zinc/96/30/65/245963065.db2.gz BQHBCNXSRVJBDI-KBPBESRZSA-N 2 1 352.479 0.026 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419128332 246003030 /nfs/dbraw/zinc/00/30/30/246003030.db2.gz AFSZGFHYNUYCBJ-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129599 246004694 /nfs/dbraw/zinc/00/46/94/246004694.db2.gz YNVNDTLOVHLLLL-HZPDHXFCSA-N 2 1 355.527 0.008 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419154331 246019190 /nfs/dbraw/zinc/01/91/90/246019190.db2.gz RHCHIAATADTGKF-ZIAGYGMSSA-N 2 1 352.504 0.787 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419151141 246020111 /nfs/dbraw/zinc/02/01/11/246020111.db2.gz NDHSEYHILGBUGC-KGLIPLIRSA-N 2 1 350.488 0.636 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)[nH+]1 ZINC000419136132 246011951 /nfs/dbraw/zinc/01/19/51/246011951.db2.gz ONWWYXHZZCXOIH-ZBFHGGJFSA-N 2 1 373.501 0.918 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419140870 246014137 /nfs/dbraw/zinc/01/41/37/246014137.db2.gz WMLUDZMZTSFZBR-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146532 246015642 /nfs/dbraw/zinc/01/56/42/246015642.db2.gz BGDMZUNESXOAIY-FUHWJXTLSA-N 2 1 360.502 0.639 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419149034 246017845 /nfs/dbraw/zinc/01/78/45/246017845.db2.gz DTCTZQBZHQUISG-LMMKCTJWSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148574 246018307 /nfs/dbraw/zinc/01/83/07/246018307.db2.gz DJRRWCDKNHEYNX-SJLPKXTDSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419164493 246027926 /nfs/dbraw/zinc/02/79/26/246027926.db2.gz MCGLYMJKPFJINJ-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419170873 246031929 /nfs/dbraw/zinc/03/19/29/246031929.db2.gz ODOSKPQOUODXAN-QZTJIDSGSA-N 2 1 358.486 0.535 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419170575 246033391 /nfs/dbraw/zinc/03/33/91/246033391.db2.gz NWIZKTUCAFQYAG-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000419211493 246056971 /nfs/dbraw/zinc/05/69/71/246056971.db2.gz SKGXXULJQQDOPD-CYBMUJFWSA-N 2 1 366.428 0.835 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000419211493 246056977 /nfs/dbraw/zinc/05/69/77/246056977.db2.gz SKGXXULJQQDOPD-CYBMUJFWSA-N 2 1 366.428 0.835 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230835 246067559 /nfs/dbraw/zinc/06/75/59/246067559.db2.gz IYKIWJSFERRLOJ-PMPSAXMXSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000419220117 246061600 /nfs/dbraw/zinc/06/16/00/246061600.db2.gz UNKWCCYGLJVYAO-MRXNPFEDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223466 246061689 /nfs/dbraw/zinc/06/16/89/246061689.db2.gz DAMBXHVHIMUISW-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419227307 246064856 /nfs/dbraw/zinc/06/48/56/246064856.db2.gz FMBOYMCQXSGWEK-HNNXBMFYSA-N 2 1 356.470 0.585 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419227307 246064863 /nfs/dbraw/zinc/06/48/63/246064863.db2.gz FMBOYMCQXSGWEK-HNNXBMFYSA-N 2 1 356.470 0.585 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224546 246065469 /nfs/dbraw/zinc/06/54/69/246065469.db2.gz FUUCNQFCYOZXJY-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230835 246067555 /nfs/dbraw/zinc/06/75/55/246067555.db2.gz IYKIWJSFERRLOJ-PMPSAXMXSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419230500 246066425 /nfs/dbraw/zinc/06/64/25/246066425.db2.gz IUIPBEJPLCYUHH-ZIAGYGMSSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419230500 246066429 /nfs/dbraw/zinc/06/64/29/246066429.db2.gz IUIPBEJPLCYUHH-ZIAGYGMSSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419229093 246066740 /nfs/dbraw/zinc/06/67/40/246066740.db2.gz NNWHFQZIXBZGQO-BPQIPLTHSA-N 2 1 374.485 0.118 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)CCC(F)(F)F ZINC000419197395 246048579 /nfs/dbraw/zinc/04/85/79/246048579.db2.gz BUCYRINENLSTKD-UHFFFAOYSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)CCC(F)(F)F ZINC000419197395 246048586 /nfs/dbraw/zinc/04/85/86/246048586.db2.gz BUCYRINENLSTKD-UHFFFAOYSA-N 2 1 352.401 0.574 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205944 246052250 /nfs/dbraw/zinc/05/22/50/246052250.db2.gz JXLVNHYPEXIWIG-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000419272776 246082727 /nfs/dbraw/zinc/08/27/27/246082727.db2.gz WBSZESAAODGSQG-UHFFFAOYSA-N 2 1 360.458 0.133 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000419228253 246068222 /nfs/dbraw/zinc/06/82/22/246068222.db2.gz GRCSFAWGEIWLOI-IPELMVKDSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000419228253 246068225 /nfs/dbraw/zinc/06/82/25/246068225.db2.gz GRCSFAWGEIWLOI-IPELMVKDSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419227752 246069022 /nfs/dbraw/zinc/06/90/22/246069022.db2.gz GCNQTTFIRMKLJS-UMVBOHGHSA-N 2 1 364.515 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419227752 246069026 /nfs/dbraw/zinc/06/90/26/246069026.db2.gz GCNQTTFIRMKLJS-UMVBOHGHSA-N 2 1 364.515 0.855 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419235293 246070628 /nfs/dbraw/zinc/07/06/28/246070628.db2.gz YTBGYZWSCZNOPZ-XDNAFOTISA-N 2 1 362.518 0.871 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2sccc2C1 ZINC000419242451 246073607 /nfs/dbraw/zinc/07/36/07/246073607.db2.gz SPSFOOFCEDQEEX-GUTXKFCHSA-N 2 1 362.499 0.431 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2sccc2C1 ZINC000419242451 246073613 /nfs/dbraw/zinc/07/36/13/246073613.db2.gz SPSFOOFCEDQEEX-GUTXKFCHSA-N 2 1 362.499 0.431 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419268381 246080102 /nfs/dbraw/zinc/08/01/02/246080102.db2.gz MMKLRILLVKERIK-UHFFFAOYSA-N 2 1 354.401 0.609 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387203 246126613 /nfs/dbraw/zinc/12/66/13/246126613.db2.gz CKVBZQLASFTJNJ-GOEBONIOSA-N 2 1 364.515 0.431 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387203 246126618 /nfs/dbraw/zinc/12/66/18/246126618.db2.gz CKVBZQLASFTJNJ-GOEBONIOSA-N 2 1 364.515 0.431 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412859 246146421 /nfs/dbraw/zinc/14/64/21/246146421.db2.gz DMFGQSBOTAKRBC-ZWKOTPCHSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412859 246146427 /nfs/dbraw/zinc/14/64/27/246146427.db2.gz DMFGQSBOTAKRBC-ZWKOTPCHSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412859 246146432 /nfs/dbraw/zinc/14/64/32/246146432.db2.gz DMFGQSBOTAKRBC-ZWKOTPCHSA-N 2 1 373.501 0.041 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419415793 246149140 /nfs/dbraw/zinc/14/91/40/246149140.db2.gz GNVATMQLMRUJFD-ROUUACIJSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419397085 246132250 /nfs/dbraw/zinc/13/22/50/246132250.db2.gz UEXAZBRKHCFUEF-WBVHZDCISA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419397085 246132260 /nfs/dbraw/zinc/13/22/60/246132260.db2.gz UEXAZBRKHCFUEF-WBVHZDCISA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400997 246134301 /nfs/dbraw/zinc/13/43/01/246134301.db2.gz ABPAGAKGEPRDDG-FZKCQIBNSA-N 2 1 368.522 0.700 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408673 246141705 /nfs/dbraw/zinc/14/17/05/246141705.db2.gz CTQGWNOCCVOWEK-SQNIBIBYSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408673 246141709 /nfs/dbraw/zinc/14/17/09/246141709.db2.gz CTQGWNOCCVOWEK-SQNIBIBYSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419408200 246142454 /nfs/dbraw/zinc/14/24/54/246142454.db2.gz ZZCKQEMKINNVDX-GOEBONIOSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419408200 246142460 /nfs/dbraw/zinc/14/24/60/246142460.db2.gz ZZCKQEMKINNVDX-GOEBONIOSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407758 246142611 /nfs/dbraw/zinc/14/26/11/246142611.db2.gz YZXUMPSJEDBKGU-XYJFISCASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@@H](C)[NH2+]1 ZINC000419421141 246154635 /nfs/dbraw/zinc/15/46/35/246154635.db2.gz LGUWKFIZEUCPGR-HZPDHXFCSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419422729 246155089 /nfs/dbraw/zinc/15/50/89/246155089.db2.gz XMUCYCRVHQDORC-ZWKOTPCHSA-N 2 1 374.485 0.118 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419422729 246155092 /nfs/dbraw/zinc/15/50/92/246155092.db2.gz XMUCYCRVHQDORC-ZWKOTPCHSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419421532 246155507 /nfs/dbraw/zinc/15/55/07/246155507.db2.gz LMJWVCVGUHLFSY-HOTGVXAUSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419425344 246156574 /nfs/dbraw/zinc/15/65/74/246156574.db2.gz PJEAEAHTFBXBQB-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419427295 246156692 /nfs/dbraw/zinc/15/66/92/246156692.db2.gz RWDJYVKHJZFMOV-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419452092 246171240 /nfs/dbraw/zinc/17/12/40/246171240.db2.gz OMQRTGFJFKOSNO-SJORKVTESA-N 2 1 373.501 0.263 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419428500 246159556 /nfs/dbraw/zinc/15/95/56/246159556.db2.gz SWLCEOOYLQXIDK-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419449689 246168266 /nfs/dbraw/zinc/16/82/66/246168266.db2.gz KFYLVJYEZFJELN-HZPDHXFCSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419449543 246169428 /nfs/dbraw/zinc/16/94/28/246169428.db2.gz KFYLVJYEZFJELN-CVEARBPZSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501448 246182666 /nfs/dbraw/zinc/18/26/66/246182666.db2.gz DRPZYCFKVYAAMS-SJORKVTESA-N 2 1 373.501 0.121 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419502808 246183012 /nfs/dbraw/zinc/18/30/12/246183012.db2.gz BXNCAAWNNJAEJC-KURKYZTESA-N 2 1 356.470 0.303 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507771 246184859 /nfs/dbraw/zinc/18/48/59/246184859.db2.gz PSUXXALGKWJQKW-CRAIPNDOSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510770 246185934 /nfs/dbraw/zinc/18/59/34/246185934.db2.gz UNUJOIWHNUDIAQ-CVEARBPZSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419477801 246178861 /nfs/dbraw/zinc/17/88/61/246178861.db2.gz ITJNTQKWIMWQSD-TWMKSMIVSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419484322 246179507 /nfs/dbraw/zinc/17/95/07/246179507.db2.gz SZFVJBWLXFJQPV-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534577 246194626 /nfs/dbraw/zinc/19/46/26/246194626.db2.gz QMRWYJUTMFIDJZ-CRAIPNDOSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537302 246195611 /nfs/dbraw/zinc/19/56/11/246195611.db2.gz VRMGNXFSGFYZNA-CRAIPNDOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419561752 246201108 /nfs/dbraw/zinc/20/11/08/246201108.db2.gz UCYAEQDDFROWFU-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000419556943 246201570 /nfs/dbraw/zinc/20/15/70/246201570.db2.gz LMHXKRPFXGGEQZ-BGTYHANMSA-N 2 1 358.486 0.786 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419722569 246269697 /nfs/dbraw/zinc/26/96/97/246269697.db2.gz MPEWITGSXVFIIA-UHFFFAOYSA-N 2 1 354.401 0.477 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000419665156 246237905 /nfs/dbraw/zinc/23/79/05/246237905.db2.gz SXPWAVCIYHKDOC-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419702403 246258645 /nfs/dbraw/zinc/25/86/45/246258645.db2.gz BSSGBTLXCZOHDO-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419704072 246259643 /nfs/dbraw/zinc/25/96/43/246259643.db2.gz FTTUYOJKVUHAKO-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000419707855 246262184 /nfs/dbraw/zinc/26/21/84/246262184.db2.gz MJHWRTUDNPEHHJ-HGHGUNKESA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419709882 246263108 /nfs/dbraw/zinc/26/31/08/246263108.db2.gz PFTGGLLLNHBZDH-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419709884 246263830 /nfs/dbraw/zinc/26/38/30/246263830.db2.gz PFTGGLLLNHBZDH-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000419714392 246265251 /nfs/dbraw/zinc/26/52/51/246265251.db2.gz XUQAXFWAERWFCZ-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419757855 246287568 /nfs/dbraw/zinc/28/75/68/246287568.db2.gz JCKOOYAOCHRMLK-AWEZNQCLSA-N 2 1 364.465 0.960 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762398 246288558 /nfs/dbraw/zinc/28/85/58/246288558.db2.gz SBRXZBUQNFAZOW-HNNXBMFYSA-N 2 1 350.438 0.442 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])CC1)Cc1ccc(F)cc1 ZINC000419760904 246289686 /nfs/dbraw/zinc/28/96/86/246289686.db2.gz OQASVLKZGHEAIQ-UHFFFAOYSA-N 2 1 350.438 0.571 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419760020 246289878 /nfs/dbraw/zinc/28/98/78/246289878.db2.gz NGISKYAVDNOOAX-OAHLLOKOSA-N 2 1 350.438 0.490 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419766197 246291511 /nfs/dbraw/zinc/29/15/11/246291511.db2.gz RGRZJBPBCCVLCV-QRVBRYPASA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419826994 246308119 /nfs/dbraw/zinc/30/81/19/246308119.db2.gz RJCKRYZVOPNFOC-SOUVJXGZSA-N 2 1 362.474 0.375 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419826994 246308122 /nfs/dbraw/zinc/30/81/22/246308122.db2.gz RJCKRYZVOPNFOC-SOUVJXGZSA-N 2 1 362.474 0.375 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419837751 246312590 /nfs/dbraw/zinc/31/25/90/246312590.db2.gz DMQJVHGSJVPLQX-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848805 246319871 /nfs/dbraw/zinc/31/98/71/246319871.db2.gz XDPBAOASIJIKKY-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848805 246319875 /nfs/dbraw/zinc/31/98/75/246319875.db2.gz XDPBAOASIJIKKY-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419854412 246324135 /nfs/dbraw/zinc/32/41/35/246324135.db2.gz GIAPXGFHIPTGSI-YVSFHVDLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419854412 246324138 /nfs/dbraw/zinc/32/41/38/246324138.db2.gz GIAPXGFHIPTGSI-YVSFHVDLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419858092 246328470 /nfs/dbraw/zinc/32/84/70/246328470.db2.gz HLSAGTMJHAEPRH-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864401 246333292 /nfs/dbraw/zinc/33/32/92/246333292.db2.gz ISFJCGIQUNXLIO-KRWDZBQOSA-N 2 1 367.538 0.169 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419921629 246371504 /nfs/dbraw/zinc/37/15/04/246371504.db2.gz YGWQLKVTXYPDAY-YVSFHVDLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419921629 246371510 /nfs/dbraw/zinc/37/15/10/246371510.db2.gz YGWQLKVTXYPDAY-YVSFHVDLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000419876873 246344727 /nfs/dbraw/zinc/34/47/27/246344727.db2.gz PZQWJXSBCVNDGN-KRWDZBQOSA-N 2 1 361.490 0.620 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887487 246351911 /nfs/dbraw/zinc/35/19/11/246351911.db2.gz FALJADSATDIWCT-RDGPPVDQSA-N 2 1 370.497 0.963 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887484 246352596 /nfs/dbraw/zinc/35/25/96/246352596.db2.gz FALJADSATDIWCT-HCXYKTFWSA-N 2 1 370.497 0.963 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000419888856 246352680 /nfs/dbraw/zinc/35/26/80/246352680.db2.gz GFEVAWLEVSDTLJ-UHFFFAOYSA-N 2 1 354.454 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419890306 246353464 /nfs/dbraw/zinc/35/34/64/246353464.db2.gz LXZFUYCRUSBMPN-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419890306 246353467 /nfs/dbraw/zinc/35/34/67/246353467.db2.gz LXZFUYCRUSBMPN-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000419948269 246382677 /nfs/dbraw/zinc/38/26/77/246382677.db2.gz FHAVASUVKQXLKA-HZPDHXFCSA-N 2 1 356.511 0.435 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000419948269 246382683 /nfs/dbraw/zinc/38/26/83/246382683.db2.gz FHAVASUVKQXLKA-HZPDHXFCSA-N 2 1 356.511 0.435 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423364153 247014277 /nfs/dbraw/zinc/01/42/77/247014277.db2.gz ATYVIUTYZOTETJ-WMZOPIPTSA-N 2 1 358.486 0.917 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H]1C ZINC000423381989 247015278 /nfs/dbraw/zinc/01/52/78/247015278.db2.gz JQYKZQMSCWLGSD-GJZGRUSLSA-N 2 1 354.495 0.284 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H]1C ZINC000423381989 247015283 /nfs/dbraw/zinc/01/52/83/247015283.db2.gz JQYKZQMSCWLGSD-GJZGRUSLSA-N 2 1 354.495 0.284 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423392780 247018699 /nfs/dbraw/zinc/01/86/99/247018699.db2.gz QMUFCMDZZSEIDT-AWEZNQCLSA-N 2 1 354.495 0.141 20 0 FCADMP C[C@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423390773 247018959 /nfs/dbraw/zinc/01/89/59/247018959.db2.gz KLEXYYMFLBPKIW-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423601125 247069803 /nfs/dbraw/zinc/06/98/03/247069803.db2.gz ZTDIEMVLBIXRMS-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000423590882 247065676 /nfs/dbraw/zinc/06/56/76/247065676.db2.gz JMNYKEFPLIZZQV-OAGGEKHMSA-N 2 1 352.479 0.086 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423449223 247030383 /nfs/dbraw/zinc/03/03/83/247030383.db2.gz RDYPFPYMHIUIIH-LJQANCHMSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470796 247032831 /nfs/dbraw/zinc/03/28/31/247032831.db2.gz GUGOIXNGDZLXAO-OWYHZJEWSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000423481155 247034506 /nfs/dbraw/zinc/03/45/06/247034506.db2.gz PVRSIZWVHITLDB-NXHRZFHOSA-N 2 1 356.470 0.397 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423525815 247041337 /nfs/dbraw/zinc/04/13/37/247041337.db2.gz KTPOTXAYRAOOJJ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423525815 247041345 /nfs/dbraw/zinc/04/13/45/247041345.db2.gz KTPOTXAYRAOOJJ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423518426 247041936 /nfs/dbraw/zinc/04/19/36/247041936.db2.gz OQWLEFKQPBVTOD-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423518426 247041941 /nfs/dbraw/zinc/04/19/41/247041941.db2.gz OQWLEFKQPBVTOD-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423608719 247075231 /nfs/dbraw/zinc/07/52/31/247075231.db2.gz OKBMTLHJCCIPMB-BHIYHBOVSA-N 2 1 370.497 0.787 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423621912 247079668 /nfs/dbraw/zinc/07/96/68/247079668.db2.gz LLCJSEWSSHLYHJ-JKSUJKDBSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423621912 247079671 /nfs/dbraw/zinc/07/96/71/247079671.db2.gz LLCJSEWSSHLYHJ-JKSUJKDBSA-N 2 1 354.495 0.286 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423632129 247086145 /nfs/dbraw/zinc/08/61/45/247086145.db2.gz NSIZMXRYFPJFFL-OTWHNJEPSA-N 2 1 370.497 0.774 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423638748 247088108 /nfs/dbraw/zinc/08/81/08/247088108.db2.gz IQKNNJYMCVNYSD-UHFFFAOYSA-N 2 1 350.463 0.757 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423649511 247091509 /nfs/dbraw/zinc/09/15/09/247091509.db2.gz PMDIMDUQDYNQGS-FXAWDEMLSA-N 2 1 374.485 0.032 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649514 247092488 /nfs/dbraw/zinc/09/24/88/247092488.db2.gz PMDIMDUQDYNQGS-YLJYHZDGSA-N 2 1 374.485 0.032 20 0 FCADMP C[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423696725 247114717 /nfs/dbraw/zinc/11/47/17/247114717.db2.gz MFADMUCZAUZZNZ-CVEARBPZSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000423696852 247114746 /nfs/dbraw/zinc/11/47/46/247114746.db2.gz MGWKYCQNGMACGL-BHYGNILZSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[C@@H](C)C[NH2+]1 ZINC000423659549 247098315 /nfs/dbraw/zinc/09/83/15/247098315.db2.gz ZNNCPQHROLFSLW-CABCVRRESA-N 2 1 350.463 0.769 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000423920069 247151573 /nfs/dbraw/zinc/15/15/73/247151573.db2.gz GCIFMGMKEJWPMD-MELADBBJSA-N 2 1 350.442 0.670 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423699602 247115671 /nfs/dbraw/zinc/11/56/71/247115671.db2.gz RKLJROKUZHWSCR-MOPGFXCFSA-N 2 1 370.497 0.726 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423713451 247119934 /nfs/dbraw/zinc/11/99/34/247119934.db2.gz VTLJLMDMEBZWTR-INIZCTEOSA-N 2 1 366.462 0.136 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424147519 247173110 /nfs/dbraw/zinc/17/31/10/247173110.db2.gz RKGWUFOAIDAPFV-ZDUSSCGKSA-N 2 1 362.478 0.159 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424147518 247173510 /nfs/dbraw/zinc/17/35/10/247173510.db2.gz RKGWUFOAIDAPFV-CYBMUJFWSA-N 2 1 362.478 0.159 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000424492030 247237356 /nfs/dbraw/zinc/23/73/56/247237356.db2.gz GSKQGEXBVURLGM-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)C1CC[NH2+]CC1 ZINC000424492614 247237857 /nfs/dbraw/zinc/23/78/57/247237857.db2.gz IIKOWVBWGKYVRP-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@H]1CC[NH2+]C1 ZINC000424497057 247241077 /nfs/dbraw/zinc/24/10/77/247241077.db2.gz VTTWDDDITNLIFJ-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000424462233 247227658 /nfs/dbraw/zinc/22/76/58/247227658.db2.gz DXAJWXGMXPIZCG-CQSZACIVSA-N 2 1 362.474 0.696 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000424462233 247227662 /nfs/dbraw/zinc/22/76/62/247227662.db2.gz DXAJWXGMXPIZCG-CQSZACIVSA-N 2 1 362.474 0.696 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054671 247288013 /nfs/dbraw/zinc/28/80/13/247288013.db2.gz FQHKSUDMBIZZRG-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1=O ZINC000425054671 247288015 /nfs/dbraw/zinc/28/80/15/247288015.db2.gz FQHKSUDMBIZZRG-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000425054671 247288018 /nfs/dbraw/zinc/28/80/18/247288018.db2.gz FQHKSUDMBIZZRG-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424542984 247256386 /nfs/dbraw/zinc/25/63/86/247256386.db2.gz JAIIGJVVRRPETE-OKZBNKHCSA-N 2 1 356.470 0.588 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425384203 247329890 /nfs/dbraw/zinc/32/98/90/247329890.db2.gz JMQKKSYWIQSINP-DOTOQJQBSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425387830 247330296 /nfs/dbraw/zinc/33/02/96/247330296.db2.gz NWYOZLSWPVBPPL-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425389496 247330361 /nfs/dbraw/zinc/33/03/61/247330361.db2.gz PXQUYYOTIASVFA-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000436053266 248029093 /nfs/dbraw/zinc/02/90/93/248029093.db2.gz FFJIHKQGKUTQQW-QGZVFWFLSA-N 2 1 364.465 0.804 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000436053266 248029096 /nfs/dbraw/zinc/02/90/96/248029096.db2.gz FFJIHKQGKUTQQW-QGZVFWFLSA-N 2 1 364.465 0.804 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000440972905 248227236 /nfs/dbraw/zinc/22/72/36/248227236.db2.gz NUHJHEBRGOCQBU-VYDXJSESSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000440972905 248227239 /nfs/dbraw/zinc/22/72/39/248227239.db2.gz NUHJHEBRGOCQBU-VYDXJSESSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000440972905 248227245 /nfs/dbraw/zinc/22/72/45/248227245.db2.gz NUHJHEBRGOCQBU-VYDXJSESSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N1CCSCC1 ZINC000442656225 248294265 /nfs/dbraw/zinc/29/42/65/248294265.db2.gz WAXKIRNNCWAXCC-GJZGRUSLSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCSCC1 ZINC000442656225 248294268 /nfs/dbraw/zinc/29/42/68/248294268.db2.gz WAXKIRNNCWAXCC-GJZGRUSLSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775626 248296893 /nfs/dbraw/zinc/29/68/93/248296893.db2.gz ASQRCCIQOACMDP-RDJZCZTQSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775626 248296896 /nfs/dbraw/zinc/29/68/96/248296896.db2.gz ASQRCCIQOACMDP-RDJZCZTQSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000443234979 248313437 /nfs/dbraw/zinc/31/34/37/248313437.db2.gz SAWQLVPUFRCQJU-HUUCEWRRSA-N 2 1 355.527 0.849 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443377472 248323649 /nfs/dbraw/zinc/32/36/49/248323649.db2.gz GLUGMCUWPMREPC-QGZVFWFLSA-N 2 1 354.539 0.922 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c2)C1 ZINC000444168292 248349665 /nfs/dbraw/zinc/34/96/65/248349665.db2.gz NNBZSYOKNCJHFL-LQWHRVPQSA-N 2 1 370.497 1.000 20 0 FCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1)Cc1ccccc1 ZINC000444261217 248352961 /nfs/dbraw/zinc/35/29/61/248352961.db2.gz DRVWFBZZCHVRIN-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446370326 248387367 /nfs/dbraw/zinc/38/73/67/248387367.db2.gz RMTNIXFCDYXHHW-URLQWDBASA-N 2 1 366.506 0.141 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000452565914 249322909 /nfs/dbraw/zinc/32/29/09/249322909.db2.gz NKWPUVBEKKZRTB-FIDHJVLJSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000452565914 249322915 /nfs/dbraw/zinc/32/29/15/249322915.db2.gz NKWPUVBEKKZRTB-FIDHJVLJSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000452565914 249322919 /nfs/dbraw/zinc/32/29/19/249322919.db2.gz NKWPUVBEKKZRTB-FIDHJVLJSA-N 2 1 352.523 0.783 20 0 FCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000271045879 211323319 /nfs/dbraw/zinc/32/33/19/211323319.db2.gz VDKHRWAHWLRNNH-UHFFFAOYSA-N 2 1 373.457 0.694 20 0 FCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000271045879 211323324 /nfs/dbraw/zinc/32/33/24/211323324.db2.gz VDKHRWAHWLRNNH-UHFFFAOYSA-N 2 1 373.457 0.694 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470738364 250058881 /nfs/dbraw/zinc/05/88/81/250058881.db2.gz UTAINTIACAFFHB-MRXNPFEDSA-N 2 1 365.522 0.570 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470738364 250058886 /nfs/dbraw/zinc/05/88/86/250058886.db2.gz UTAINTIACAFFHB-MRXNPFEDSA-N 2 1 365.522 0.570 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472275993 250143467 /nfs/dbraw/zinc/14/34/67/250143467.db2.gz LYZOQRLSOWBGFY-CVEARBPZSA-N 2 1 354.495 0.143 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472278279 250143773 /nfs/dbraw/zinc/14/37/73/250143773.db2.gz NZMDGJBDBIRIAN-YESZJQIVSA-N 2 1 368.522 0.532 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472276023 250142795 /nfs/dbraw/zinc/14/27/95/250142795.db2.gz LYZOQRLSOWBGFY-HZPDHXFCSA-N 2 1 354.495 0.143 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000473002030 250192514 /nfs/dbraw/zinc/19/25/14/250192514.db2.gz POSVYJVSLUCKKR-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480879836 250289914 /nfs/dbraw/zinc/28/99/14/250289914.db2.gz LNMVDTHONWNDRH-HOTGVXAUSA-N 2 1 370.538 0.554 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943510 250299193 /nfs/dbraw/zinc/29/91/93/250299193.db2.gz XSTPXJRPUNDFSO-BBWFWOEESA-N 2 1 370.538 0.506 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CC[NH+](C)CC1 ZINC000481018340 250308223 /nfs/dbraw/zinc/30/82/23/250308223.db2.gz DPZINDSRKNULCE-WMZOPIPTSA-N 2 1 371.595 0.995 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000481162265 250318785 /nfs/dbraw/zinc/31/87/85/250318785.db2.gz CCSWSPWIOMLSNF-FZDBZEDMSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000481162265 250318788 /nfs/dbraw/zinc/31/87/88/250318788.db2.gz CCSWSPWIOMLSNF-FZDBZEDMSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000481162265 250318794 /nfs/dbraw/zinc/31/87/94/250318794.db2.gz CCSWSPWIOMLSNF-FZDBZEDMSA-N 2 1 362.518 0.872 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413322772 532997738 /nfs/dbraw/zinc/99/77/38/532997738.db2.gz IMFNGEQRZFAKBV-IAGOWNOFSA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322772 532997744 /nfs/dbraw/zinc/99/77/44/532997744.db2.gz IMFNGEQRZFAKBV-IAGOWNOFSA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322772 532997748 /nfs/dbraw/zinc/99/77/48/532997748.db2.gz IMFNGEQRZFAKBV-IAGOWNOFSA-N 2 1 366.506 0.997 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000068063316 208025420 /nfs/dbraw/zinc/02/54/20/208025420.db2.gz GYWHVJBYTDGVKI-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CC[NH+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000072093832 208037781 /nfs/dbraw/zinc/03/77/81/208037781.db2.gz SAYRBGFNIVBPOE-UHFFFAOYSA-N 2 1 361.490 0.825 20 0 FCADMP C[N@H+](CCN1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349835 208100881 /nfs/dbraw/zinc/10/08/81/208100881.db2.gz TUWKUOJRWIXMEN-LJQANCHMSA-N 2 1 360.502 0.593 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349835 208100882 /nfs/dbraw/zinc/10/08/82/208100882.db2.gz TUWKUOJRWIXMEN-LJQANCHMSA-N 2 1 360.502 0.593 20 0 FCADMP C[NH+](CCN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349835 208100889 /nfs/dbraw/zinc/10/08/89/208100889.db2.gz TUWKUOJRWIXMEN-LJQANCHMSA-N 2 1 360.502 0.593 20 0 FCADMP C[NH+](CCN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349835 208100896 /nfs/dbraw/zinc/10/08/96/208100896.db2.gz TUWKUOJRWIXMEN-LJQANCHMSA-N 2 1 360.502 0.593 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000091559925 208139418 /nfs/dbraw/zinc/13/94/18/208139418.db2.gz NZGNLEMLZZIUSK-SFHVURJKSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616579 208388836 /nfs/dbraw/zinc/38/88/36/208388836.db2.gz FPYYVABKNWDODX-HOTGVXAUSA-N 2 1 367.538 0.911 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000931879778 674149875 /nfs/dbraw/zinc/14/98/75/674149875.db2.gz OWDQISISVZNKMG-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000931879778 674149878 /nfs/dbraw/zinc/14/98/78/674149878.db2.gz OWDQISISVZNKMG-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP COC(=O)[C@@]1(C)CCC[NH+](CC(O)C[N@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412074506 533115631 /nfs/dbraw/zinc/11/56/31/533115631.db2.gz RCFAXHIMIOOBRC-OALUTQOASA-N 2 1 370.490 0.898 20 0 FCADMP COC(=O)[C@@]1(C)CCC[NH+](CC(O)C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412074506 533115639 /nfs/dbraw/zinc/11/56/39/533115639.db2.gz RCFAXHIMIOOBRC-OALUTQOASA-N 2 1 370.490 0.898 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000413476888 533478544 /nfs/dbraw/zinc/47/85/44/533478544.db2.gz FVWMDNGZYJBWJY-HNNXBMFYSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000413188900 533480535 /nfs/dbraw/zinc/48/05/35/533480535.db2.gz VJYSRQUSZSUPFV-CVEARBPZSA-N 2 1 354.495 0.853 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410472862 230092402 /nfs/dbraw/zinc/09/24/02/230092402.db2.gz SHIROHJSOJCPTC-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410501115 230107166 /nfs/dbraw/zinc/10/71/66/230107166.db2.gz YYICPQUFZQZPEP-QGZVFWFLSA-N 2 1 373.501 0.896 20 0 FCADMP CN(C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410501115 230107169 /nfs/dbraw/zinc/10/71/69/230107169.db2.gz YYICPQUFZQZPEP-QGZVFWFLSA-N 2 1 373.501 0.896 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729050 230216834 /nfs/dbraw/zinc/21/68/34/230216834.db2.gz GSUVXCHDZFWBOI-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933845321 674276739 /nfs/dbraw/zinc/27/67/39/674276739.db2.gz BRCZBDFJHRMOJI-INIZCTEOSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000933845321 674276742 /nfs/dbraw/zinc/27/67/42/674276742.db2.gz BRCZBDFJHRMOJI-INIZCTEOSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000933845321 674276745 /nfs/dbraw/zinc/27/67/45/674276745.db2.gz BRCZBDFJHRMOJI-INIZCTEOSA-N 2 1 352.523 0.929 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000933851473 674277088 /nfs/dbraw/zinc/27/70/88/674277088.db2.gz YOIVCWMCKRRFIQ-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000507202933 484075085 /nfs/dbraw/zinc/07/50/85/484075085.db2.gz RVFYKMITZWFULX-CYBMUJFWSA-N 2 1 358.402 0.043 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000363847425 488891944 /nfs/dbraw/zinc/89/19/44/488891944.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363847425 488891947 /nfs/dbraw/zinc/89/19/47/488891947.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363847425 488891949 /nfs/dbraw/zinc/89/19/49/488891949.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 2 1 355.527 0.375 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921612 488892782 /nfs/dbraw/zinc/89/27/82/488892782.db2.gz OTJCVRARSNBJCL-QAPCUYQASA-N 2 1 363.506 0.940 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000364055468 488918507 /nfs/dbraw/zinc/91/85/07/488918507.db2.gz MKZGFTHSLMQLJV-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000328438697 488922064 /nfs/dbraw/zinc/92/20/64/488922064.db2.gz XCWAHXRZBYTWAV-AGIUHOORSA-N 2 1 364.412 0.634 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000328438697 488922068 /nfs/dbraw/zinc/92/20/68/488922068.db2.gz XCWAHXRZBYTWAV-AGIUHOORSA-N 2 1 364.412 0.634 20 0 FCADMP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(=O)n(C)c1=O ZINC000279529376 488950296 /nfs/dbraw/zinc/95/02/96/488950296.db2.gz ZCVIBSNVTXYDCY-UHFFFAOYSA-N 2 1 357.458 0.996 20 0 FCADMP CCN1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000022942425 487627662 /nfs/dbraw/zinc/62/76/62/487627662.db2.gz JCCZBKDCJWQOHJ-UHFFFAOYSA-N 2 1 360.502 0.773 20 0 FCADMP C[N@H+](CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000054764337 488229123 /nfs/dbraw/zinc/22/91/23/488229123.db2.gz OHQPSQCYPGJBNZ-UHFFFAOYSA-N 2 1 361.490 0.582 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000054764337 488229125 /nfs/dbraw/zinc/22/91/25/488229125.db2.gz OHQPSQCYPGJBNZ-UHFFFAOYSA-N 2 1 361.490 0.582 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816608 491191703 /nfs/dbraw/zinc/19/17/03/491191703.db2.gz VETIDWDFMNSQAO-QWHCGFSZSA-N 2 1 351.417 0.558 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000069505158 488372935 /nfs/dbraw/zinc/37/29/35/488372935.db2.gz LUIBPTGAERNGHP-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000069506298 488373034 /nfs/dbraw/zinc/37/30/34/488373034.db2.gz SKEIQERIBUQJFH-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073662090 488385682 /nfs/dbraw/zinc/38/56/82/488385682.db2.gz YCIBFCUDVKGBRN-LMMKCTJWSA-N 2 1 370.538 0.737 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCOCC1 ZINC000074008467 488387155 /nfs/dbraw/zinc/38/71/55/488387155.db2.gz AWIWKHYZZNEGEJ-MRXNPFEDSA-N 2 1 356.511 0.753 20 0 FCADMP C[NH+]1CCC(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345368 488390751 /nfs/dbraw/zinc/39/07/51/488390751.db2.gz KUFFITBXJMHWGI-INIZCTEOSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@](O)(CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352094 488391151 /nfs/dbraw/zinc/39/11/51/488391151.db2.gz DMZVCLRBTAJWQJ-YJBOKZPZSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@](O)(CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352094 488391153 /nfs/dbraw/zinc/39/11/53/488391153.db2.gz DMZVCLRBTAJWQJ-YJBOKZPZSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335641 491194984 /nfs/dbraw/zinc/19/49/84/491194984.db2.gz ZCZAQQJLLBQKSQ-YJBOKZPZSA-N 2 1 372.513 0.801 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863305 488394103 /nfs/dbraw/zinc/39/41/03/488394103.db2.gz ZDUCIUGJMZYUNP-IEBWSBKVSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863305 488394106 /nfs/dbraw/zinc/39/41/06/488394106.db2.gz ZDUCIUGJMZYUNP-IEBWSBKVSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000554336684 491196197 /nfs/dbraw/zinc/19/61/97/491196197.db2.gz IJWPVQUBDCQYTB-PMPSAXMXSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000077208654 488409187 /nfs/dbraw/zinc/40/91/87/488409187.db2.gz MALRGHAHMKBCQF-LSDHHAIUSA-N 2 1 365.478 0.769 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000077208654 488409189 /nfs/dbraw/zinc/40/91/89/488409189.db2.gz MALRGHAHMKBCQF-LSDHHAIUSA-N 2 1 365.478 0.769 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189442506 488414715 /nfs/dbraw/zinc/41/47/15/488414715.db2.gz IQRATVZADRJUIO-SWLSCSKDSA-N 2 1 369.535 0.965 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000189442506 488414716 /nfs/dbraw/zinc/41/47/16/488414716.db2.gz IQRATVZADRJUIO-SWLSCSKDSA-N 2 1 369.535 0.965 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000077825603 488418051 /nfs/dbraw/zinc/41/80/51/488418051.db2.gz IMBGXPZIDHNASJ-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000077825603 488418053 /nfs/dbraw/zinc/41/80/53/488418053.db2.gz IMBGXPZIDHNASJ-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP COC(=O)CCN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000192790692 488424465 /nfs/dbraw/zinc/42/44/65/488424465.db2.gz SNMZXQGOKKMNIS-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000192790692 488424466 /nfs/dbraw/zinc/42/44/66/488424466.db2.gz SNMZXQGOKKMNIS-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP COC(=O)CC[N@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000192790692 488424467 /nfs/dbraw/zinc/42/44/67/488424467.db2.gz SNMZXQGOKKMNIS-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000192826577 488424595 /nfs/dbraw/zinc/42/45/95/488424595.db2.gz ALEUNSAFMJFGGH-HOTGVXAUSA-N 2 1 369.535 0.776 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000193421982 488427402 /nfs/dbraw/zinc/42/74/02/488427402.db2.gz OXTPUBTYLPBJHQ-QGZVFWFLSA-N 2 1 367.538 0.962 20 0 FCADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193421982 488427405 /nfs/dbraw/zinc/42/74/05/488427405.db2.gz OXTPUBTYLPBJHQ-QGZVFWFLSA-N 2 1 367.538 0.962 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193421982 488427408 /nfs/dbraw/zinc/42/74/08/488427408.db2.gz OXTPUBTYLPBJHQ-QGZVFWFLSA-N 2 1 367.538 0.962 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000236938042 488454053 /nfs/dbraw/zinc/45/40/53/488454053.db2.gz DYYWYGHBVSGDLN-QGZVFWFLSA-N 2 1 360.458 0.320 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CN3CCNCC3=O)c2)C[C@H](C)O1 ZINC000237639699 488455956 /nfs/dbraw/zinc/45/59/56/488455956.db2.gz MJFNAUXWTXMVBB-GASCZTMLSA-N 2 1 360.458 0.666 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CN3CCNCC3=O)c2)C[C@H](C)O1 ZINC000237639699 488455958 /nfs/dbraw/zinc/45/59/58/488455958.db2.gz MJFNAUXWTXMVBB-GASCZTMLSA-N 2 1 360.458 0.666 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000089265302 488457246 /nfs/dbraw/zinc/45/72/46/488457246.db2.gz HYTNREUJOBISPF-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000089265302 488457248 /nfs/dbraw/zinc/45/72/48/488457248.db2.gz HYTNREUJOBISPF-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000089265302 488457249 /nfs/dbraw/zinc/45/72/49/488457249.db2.gz HYTNREUJOBISPF-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000089265302 488457251 /nfs/dbraw/zinc/45/72/51/488457251.db2.gz HYTNREUJOBISPF-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000569879879 491200643 /nfs/dbraw/zinc/20/06/43/491200643.db2.gz KITQIISHMJIULH-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)CC1=O ZINC000246332060 488471771 /nfs/dbraw/zinc/47/17/71/488471771.db2.gz BAOFIOUZKADXIS-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246558221 488474584 /nfs/dbraw/zinc/47/45/84/488474584.db2.gz YYJYYWSCYXOTSL-FUHWJXTLSA-N 2 1 356.511 0.633 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246558221 488474587 /nfs/dbraw/zinc/47/45/87/488474587.db2.gz YYJYYWSCYXOTSL-FUHWJXTLSA-N 2 1 356.511 0.633 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000246848732 488476563 /nfs/dbraw/zinc/47/65/63/488476563.db2.gz KSLBYWIPKQYZSP-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000246848732 488476564 /nfs/dbraw/zinc/47/65/64/488476564.db2.gz KSLBYWIPKQYZSP-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000247018499 488480499 /nfs/dbraw/zinc/48/04/99/488480499.db2.gz HOVSMLOOXXGFGI-OAGGEKHMSA-N 2 1 356.511 0.846 20 0 FCADMP COC1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000269254211 488483006 /nfs/dbraw/zinc/48/30/06/488483006.db2.gz IVOKPGUUNAEXSN-MRXNPFEDSA-N 2 1 361.490 0.477 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288105 488486820 /nfs/dbraw/zinc/48/68/20/488486820.db2.gz JQJRKXHUVLFTQA-RTBURBONSA-N 2 1 360.502 0.860 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288105 488486823 /nfs/dbraw/zinc/48/68/23/488486823.db2.gz JQJRKXHUVLFTQA-RTBURBONSA-N 2 1 360.502 0.860 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288105 488486825 /nfs/dbraw/zinc/48/68/25/488486825.db2.gz JQJRKXHUVLFTQA-RTBURBONSA-N 2 1 360.502 0.860 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000248567521 488498247 /nfs/dbraw/zinc/49/82/47/488498247.db2.gz BZPXZVBMKVPFPL-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@@H](C)O1 ZINC000249108356 488505609 /nfs/dbraw/zinc/50/56/09/488505609.db2.gz MATMBKGSJXIWLS-BRWVUGGUSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000249110657 488505713 /nfs/dbraw/zinc/50/57/13/488505713.db2.gz MMCFDDPBRRJGLV-DLBZAZTESA-N 2 1 369.554 0.357 20 0 FCADMP CC(C)[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000104801048 488505754 /nfs/dbraw/zinc/50/57/54/488505754.db2.gz ILQNTUYBVLVRBD-INIZCTEOSA-N 2 1 355.527 0.992 20 0 FCADMP C[C@H](O)CN1CC[N@@H+](CCCCN2CC[NH+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249405259 488509547 /nfs/dbraw/zinc/50/95/47/488509547.db2.gz XEXAVUVHPRZUIC-MUGJNUQGSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)CN1CC[NH+](CCCCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249405259 488509551 /nfs/dbraw/zinc/50/95/51/488509551.db2.gz XEXAVUVHPRZUIC-MUGJNUQGSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)CN1CC[NH+](CCCCN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249405259 488509552 /nfs/dbraw/zinc/50/95/52/488509552.db2.gz XEXAVUVHPRZUIC-MUGJNUQGSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249405259 488509556 /nfs/dbraw/zinc/50/95/56/488509556.db2.gz XEXAVUVHPRZUIC-MUGJNUQGSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249405259 488509558 /nfs/dbraw/zinc/50/95/58/488509558.db2.gz XEXAVUVHPRZUIC-MUGJNUQGSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000569928803 491204047 /nfs/dbraw/zinc/20/40/47/491204047.db2.gz GTGZTVXBRFBNMN-XLMAVXFVSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000554462038 491204195 /nfs/dbraw/zinc/20/41/95/491204195.db2.gz UGMJRGQCSLJDJW-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000554462038 491204198 /nfs/dbraw/zinc/20/41/98/491204198.db2.gz UGMJRGQCSLJDJW-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000554462038 491204199 /nfs/dbraw/zinc/20/41/99/491204199.db2.gz UGMJRGQCSLJDJW-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000109166506 488522325 /nfs/dbraw/zinc/52/23/25/488522325.db2.gz QSHYOILKGMCENV-GOSISDBHSA-N 2 1 369.554 0.404 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000111865032 488532320 /nfs/dbraw/zinc/53/23/20/488532320.db2.gz GWXHNUBPDYCQRA-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757812 488534735 /nfs/dbraw/zinc/53/47/35/488534735.db2.gz JLLXFRLCABSKDO-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000261796552 488536575 /nfs/dbraw/zinc/53/65/75/488536575.db2.gz ZLUCORGPEJFALY-ZACQAIPSSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000261819584 488537331 /nfs/dbraw/zinc/53/73/31/488537331.db2.gz XUGPUQDJMDIJHI-DCGLDWPTSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000261819584 488537334 /nfs/dbraw/zinc/53/73/34/488537334.db2.gz XUGPUQDJMDIJHI-DCGLDWPTSA-N 2 1 368.503 0.570 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000113646002 488538708 /nfs/dbraw/zinc/53/87/08/488538708.db2.gz JTOKZUSCNOLSJE-CQSZACIVSA-N 2 1 356.430 0.924 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261877235 488539497 /nfs/dbraw/zinc/53/94/97/488539497.db2.gz UGHNCRYMEPXGOX-CXAGYDPISA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261877235 488539498 /nfs/dbraw/zinc/53/94/98/488539498.db2.gz UGHNCRYMEPXGOX-CXAGYDPISA-N 2 1 368.503 0.052 20 0 FCADMP O=C(CNC(=O)[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261882208 488539886 /nfs/dbraw/zinc/53/98/86/488539886.db2.gz AKDJCSVVIMHANP-SFHVURJKSA-N 2 1 370.497 0.837 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261896049 488540541 /nfs/dbraw/zinc/54/05/41/488540541.db2.gz RBWOGUPKAQUKKS-ZNMIVQPWSA-N 2 1 367.494 0.189 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892225 488540680 /nfs/dbraw/zinc/54/06/80/488540680.db2.gz CGPIAXZPKWDKGB-MSOLQXFVSA-N 2 1 364.534 0.630 20 0 FCADMP O=C1[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1c1ccccc1 ZINC000114501883 488540889 /nfs/dbraw/zinc/54/08/89/488540889.db2.gz KGMYYAAQHVOGGU-IBGZPJMESA-N 2 1 360.502 0.772 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114587576 488541848 /nfs/dbraw/zinc/54/18/48/488541848.db2.gz UIFNEAUYKBEYET-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114587574 488541859 /nfs/dbraw/zinc/54/18/59/488541859.db2.gz UIFNEAUYKBEYET-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000261920120 488542276 /nfs/dbraw/zinc/54/22/76/488542276.db2.gz BOWAVCOOWVACTG-AWEZNQCLSA-N 2 1 358.442 0.602 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000261920120 488542277 /nfs/dbraw/zinc/54/22/77/488542277.db2.gz BOWAVCOOWVACTG-AWEZNQCLSA-N 2 1 358.442 0.602 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000261921383 488542316 /nfs/dbraw/zinc/54/23/16/488542316.db2.gz XPHVTHLGGTUICJ-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP COc1ccc(OC)c(C[N@@H+](CCO)CCC(=O)N2CC[NH2+]CC2)c1 ZINC000261961810 488543662 /nfs/dbraw/zinc/54/36/62/488543662.db2.gz AQSHOPBCLAMBCO-UHFFFAOYSA-N 2 1 351.447 0.320 20 0 FCADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000116397237 488547541 /nfs/dbraw/zinc/54/75/41/488547541.db2.gz WPEZTCKPBYJUKC-ZNMIVQPWSA-N 2 1 361.552 0.976 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262070232 488549269 /nfs/dbraw/zinc/54/92/69/488549269.db2.gz PBWASFDPBVIOEU-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262070232 488549270 /nfs/dbraw/zinc/54/92/70/488549270.db2.gz PBWASFDPBVIOEU-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262171906 488555141 /nfs/dbraw/zinc/55/51/41/488555141.db2.gz QLHDQKFDISKRMB-CQSZACIVSA-N 2 1 353.488 0.905 20 0 FCADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262171906 488555142 /nfs/dbraw/zinc/55/51/42/488555142.db2.gz QLHDQKFDISKRMB-CQSZACIVSA-N 2 1 353.488 0.905 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000262283575 488561352 /nfs/dbraw/zinc/56/13/52/488561352.db2.gz UYOIGSBUWVQLJC-IKGGRYGDSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1CC ZINC000262325188 488564192 /nfs/dbraw/zinc/56/41/92/488564192.db2.gz RSUDQXDEUYAKFR-QGZVFWFLSA-N 2 1 363.506 0.921 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1CC ZINC000262325188 488564194 /nfs/dbraw/zinc/56/41/94/488564194.db2.gz RSUDQXDEUYAKFR-QGZVFWFLSA-N 2 1 363.506 0.921 20 0 FCADMP Cc1ccc(NC(=O)CNC(=O)C[NH3+])cc1NC(=O)C[NH+]1CCCCC1 ZINC000262384109 488567362 /nfs/dbraw/zinc/56/73/62/488567362.db2.gz KZCVIXJJBSIZFC-UHFFFAOYSA-N 2 1 361.446 0.433 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)cc[nH+]1 ZINC000262405296 488568959 /nfs/dbraw/zinc/56/89/59/488568959.db2.gz PXOFSWUNDPTGAE-HNAYVOBHSA-N 2 1 358.490 0.971 20 0 FCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262450022 488570867 /nfs/dbraw/zinc/57/08/67/488570867.db2.gz DRQBFGDVOMZGEJ-DLBZAZTESA-N 2 1 358.442 0.635 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262473952 488571920 /nfs/dbraw/zinc/57/19/20/488571920.db2.gz YQFJENWJKFQELC-HXUWFJFHSA-N 2 1 371.529 0.554 20 0 FCADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262477287 488572558 /nfs/dbraw/zinc/57/25/58/488572558.db2.gz HKRJNIYTHWBUOS-RBUKOAKNSA-N 2 1 360.502 0.423 20 0 FCADMP C[NH+](C)Cc1ccccc1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262557635 488577405 /nfs/dbraw/zinc/57/74/05/488577405.db2.gz PVRQQOPHRPXYCQ-UHFFFAOYSA-N 2 1 353.488 0.531 20 0 FCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000122693914 488579996 /nfs/dbraw/zinc/57/99/96/488579996.db2.gz VZKMUHRVHOSNEU-IBGZPJMESA-N 2 1 364.490 0.631 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530928 488586576 /nfs/dbraw/zinc/58/65/76/488586576.db2.gz AMFDAZRWZRTGCF-CQSZACIVSA-N 2 1 360.462 0.511 20 0 FCADMP C[C@H]1C[C@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1C ZINC000123961601 488589011 /nfs/dbraw/zinc/58/90/11/488589011.db2.gz KARPJLGGQWKYEN-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1C ZINC000123961601 488589013 /nfs/dbraw/zinc/58/90/13/488589013.db2.gz KARPJLGGQWKYEN-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@H]([N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123961601 488589014 /nfs/dbraw/zinc/58/90/14/488589014.db2.gz KARPJLGGQWKYEN-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123961601 488589016 /nfs/dbraw/zinc/58/90/16/488589016.db2.gz KARPJLGGQWKYEN-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000262770629 488591735 /nfs/dbraw/zinc/59/17/35/488591735.db2.gz HREUFADMJBOCHC-HNAYVOBHSA-N 2 1 368.522 0.626 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C ZINC000124649973 488594507 /nfs/dbraw/zinc/59/45/07/488594507.db2.gz DJUAVJPHOQMFQD-AWEZNQCLSA-N 2 1 350.467 0.233 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C[C@H](C[NH3+])OC ZINC000262848669 488596577 /nfs/dbraw/zinc/59/65/77/488596577.db2.gz JTKMCEIVCRQGGC-CQSZACIVSA-N 2 1 364.446 0.385 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2csc(C[NH3+])n2)c1 ZINC000263291026 488608903 /nfs/dbraw/zinc/60/89/03/488608903.db2.gz WHOWYIYVHIQTMZ-UHFFFAOYSA-N 2 1 361.471 0.823 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000570062600 491213943 /nfs/dbraw/zinc/21/39/43/491213943.db2.gz QCXUMDJMQIXUGC-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000129545594 488632022 /nfs/dbraw/zinc/63/20/22/488632022.db2.gz ZIPDYFMGQODWDQ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129565710 488632054 /nfs/dbraw/zinc/63/20/54/488632054.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 2 1 366.550 0.295 20 0 FCADMP C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129565710 488632055 /nfs/dbraw/zinc/63/20/55/488632055.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 2 1 366.550 0.295 20 0 FCADMP C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129565710 488632058 /nfs/dbraw/zinc/63/20/58/488632058.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 2 1 366.550 0.295 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273159367 488635618 /nfs/dbraw/zinc/63/56/18/488635618.db2.gz ZCQGUMLUUANGLO-APWZRJJASA-N 2 1 361.486 0.838 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000264188163 488653524 /nfs/dbraw/zinc/65/35/24/488653524.db2.gz LUKGFQPBAOFGFR-UHFFFAOYSA-N 2 1 353.492 0.524 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133305835 488658828 /nfs/dbraw/zinc/65/88/28/488658828.db2.gz MFFGTEPMPJNOMT-CABCVRRESA-N 2 1 362.478 0.468 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000554653727 491215700 /nfs/dbraw/zinc/21/57/00/491215700.db2.gz CQSGMGATKKSJIF-HNNXBMFYSA-N 2 1 365.478 0.131 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662777 491216421 /nfs/dbraw/zinc/21/64/21/491216421.db2.gz XYSIUJTWJDCFFE-HOCLYGCPSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000136331716 488677206 /nfs/dbraw/zinc/67/72/06/488677206.db2.gz FZIMAONYLVVNAZ-QGZVFWFLSA-N 2 1 365.522 0.807 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000136874544 488679017 /nfs/dbraw/zinc/67/90/17/488679017.db2.gz KZMKNXPAWAKOGA-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000136874544 488679020 /nfs/dbraw/zinc/67/90/20/488679020.db2.gz KZMKNXPAWAKOGA-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C1CC1 ZINC000138950120 488683132 /nfs/dbraw/zinc/68/31/32/488683132.db2.gz OAIRQSULTFEVIA-GOEBONIOSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[N@H+](C)C1CC1 ZINC000138950120 488683136 /nfs/dbraw/zinc/68/31/36/488683136.db2.gz OAIRQSULTFEVIA-GOEBONIOSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[N@@H+](C)C1CC1 ZINC000138950120 488683139 /nfs/dbraw/zinc/68/31/39/488683139.db2.gz OAIRQSULTFEVIA-GOEBONIOSA-N 2 1 351.495 0.417 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CCCC1 ZINC000139006841 488683175 /nfs/dbraw/zinc/68/31/75/488683175.db2.gz CESDEZAOTZVBBT-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCCC1 ZINC000139006841 488683177 /nfs/dbraw/zinc/68/31/77/488683177.db2.gz CESDEZAOTZVBBT-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CCCC1 ZINC000139006841 488683180 /nfs/dbraw/zinc/68/31/80/488683180.db2.gz CESDEZAOTZVBBT-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccsc1 ZINC000264538432 488683605 /nfs/dbraw/zinc/68/36/05/488683605.db2.gz AHDPHQKKNSAYRW-HUUCEWRRSA-N 2 1 367.519 0.990 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000150728067 488698881 /nfs/dbraw/zinc/69/88/81/488698881.db2.gz DPHDKYGZBJRBBA-SFHVURJKSA-N 2 1 372.473 0.802 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000150728056 488699320 /nfs/dbraw/zinc/69/93/20/488699320.db2.gz DPHDKYGZBJRBBA-GOSISDBHSA-N 2 1 372.473 0.802 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCO)CCCO)CC2)cc1 ZINC000264761499 488708130 /nfs/dbraw/zinc/70/81/30/488708130.db2.gz YDYDNTJYGKXBLZ-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCO)CCCO)CC2)cc1 ZINC000264761499 488708133 /nfs/dbraw/zinc/70/81/33/488708133.db2.gz YDYDNTJYGKXBLZ-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCO)CCCO)CC2)cc1 ZINC000264761499 488708135 /nfs/dbraw/zinc/70/81/35/488708135.db2.gz YDYDNTJYGKXBLZ-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCO)CCCO)CC2)cc1 ZINC000264761499 488708137 /nfs/dbraw/zinc/70/81/37/488708137.db2.gz YDYDNTJYGKXBLZ-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000152192491 488714286 /nfs/dbraw/zinc/71/42/86/488714286.db2.gz BMSQGQOUPDWSDY-HNNXBMFYSA-N 2 1 356.536 0.436 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000152622846 488720403 /nfs/dbraw/zinc/72/04/03/488720403.db2.gz HUXQJMKMPUJHKB-CQSZACIVSA-N 2 1 362.478 0.516 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000274614829 488723419 /nfs/dbraw/zinc/72/34/19/488723419.db2.gz DIVOTPHOYJLBRM-UHFFFAOYSA-N 2 1 352.479 0.740 20 0 FCADMP CN(C(=O)CSCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153634603 488733539 /nfs/dbraw/zinc/73/35/39/488733539.db2.gz LVSIHGCKZUBXLW-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000267157329 488766050 /nfs/dbraw/zinc/76/60/50/488766050.db2.gz FUXOATHWTLIZBG-QGZVFWFLSA-N 2 1 374.529 0.895 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000158394223 488777977 /nfs/dbraw/zinc/77/79/77/488777977.db2.gz BVUGCQXDOWZMKY-QBPKDAKJSA-N 2 1 350.507 0.953 20 0 FCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000267527884 488794214 /nfs/dbraw/zinc/79/42/14/488794214.db2.gz JLFZBQNNJIUPPD-JKSUJKDBSA-N 2 1 362.478 0.705 20 0 FCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000267527884 488794217 /nfs/dbraw/zinc/79/42/17/488794217.db2.gz JLFZBQNNJIUPPD-JKSUJKDBSA-N 2 1 362.478 0.705 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000554749605 491223181 /nfs/dbraw/zinc/22/31/81/491223181.db2.gz WMMXJRLMVUZUNA-OAHLLOKOSA-N 2 1 364.465 0.914 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171627251 488824796 /nfs/dbraw/zinc/82/47/96/488824796.db2.gz GGVYTJKXNCDHRW-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000171743206 488826949 /nfs/dbraw/zinc/82/69/49/488826949.db2.gz HNDCHUWCNHUNBC-UHFFFAOYSA-N 2 1 361.490 0.711 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000172595325 488835620 /nfs/dbraw/zinc/83/56/20/488835620.db2.gz KQJBTPFGGTWBTM-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000172595325 488835621 /nfs/dbraw/zinc/83/56/21/488835621.db2.gz KQJBTPFGGTWBTM-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000172595325 488835623 /nfs/dbraw/zinc/83/56/23/488835623.db2.gz KQJBTPFGGTWBTM-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172851070 488839039 /nfs/dbraw/zinc/83/90/39/488839039.db2.gz KRPOHRGONDIFAV-IBGZPJMESA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172851070 488839040 /nfs/dbraw/zinc/83/90/40/488839040.db2.gz KRPOHRGONDIFAV-IBGZPJMESA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173271588 488841933 /nfs/dbraw/zinc/84/19/33/488841933.db2.gz FKDAKLSCMOLZQY-UHFFFAOYSA-N 2 1 368.522 0.995 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173580444 488843598 /nfs/dbraw/zinc/84/35/98/488843598.db2.gz GLJSPGPZPUMGNY-KRWDZBQOSA-N 2 1 356.511 0.709 20 0 FCADMP C[C@@](O)(CNC(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+]1CCOCC1 ZINC000174124127 488847548 /nfs/dbraw/zinc/84/75/48/488847548.db2.gz MUVATBKTFCXIML-GOSISDBHSA-N 2 1 354.495 0.243 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)ccn2)C1 ZINC000174179361 488847972 /nfs/dbraw/zinc/84/79/72/488847972.db2.gz KWFOFRICCSYSPQ-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccnc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000174179361 488847973 /nfs/dbraw/zinc/84/79/73/488847973.db2.gz KWFOFRICCSYSPQ-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccnc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000174179361 488847974 /nfs/dbraw/zinc/84/79/74/488847974.db2.gz KWFOFRICCSYSPQ-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000174778700 488851102 /nfs/dbraw/zinc/85/11/02/488851102.db2.gz MIHFGIPVSKVMHX-VQIMIIECSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)CN1C ZINC000329202008 488980118 /nfs/dbraw/zinc/98/01/18/488980118.db2.gz WUTRQFPJQCHZDL-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809467 491227181 /nfs/dbraw/zinc/22/71/81/491227181.db2.gz RJNPZWWIKFRIJC-YOEHRIQHSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364787382 489002203 /nfs/dbraw/zinc/00/22/03/489002203.db2.gz BWIOZTWMCGEHNE-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000329480718 489008199 /nfs/dbraw/zinc/00/81/99/489008199.db2.gz PGTCALAXTLDTGR-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@H+]1C1CC1 ZINC000570245345 491227826 /nfs/dbraw/zinc/22/78/26/491227826.db2.gz VWXGZWKQLWQQHS-GJZGRUSLSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245345 491227828 /nfs/dbraw/zinc/22/78/28/491227828.db2.gz VWXGZWKQLWQQHS-GJZGRUSLSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245345 491227829 /nfs/dbraw/zinc/22/78/29/491227829.db2.gz VWXGZWKQLWQQHS-GJZGRUSLSA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509098 489011181 /nfs/dbraw/zinc/01/11/81/489011181.db2.gz JONJWUMCOHVJPL-DLBZAZTESA-N 2 1 360.506 0.930 20 0 FCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1C ZINC000563275600 491234972 /nfs/dbraw/zinc/23/49/72/491234972.db2.gz PGBKAXNCRBPIFE-UHFFFAOYSA-N 2 1 368.503 0.950 20 0 FCADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290065018 489111313 /nfs/dbraw/zinc/11/13/13/489111313.db2.gz VSXAHHHXFXKSKC-DOTOQJQBSA-N 2 1 362.474 0.594 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290287351 489127904 /nfs/dbraw/zinc/12/79/04/489127904.db2.gz BHFWFSDEWVWEBV-IAGOWNOFSA-N 2 1 373.501 0.967 20 0 FCADMP CC(=O)NCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000555074601 491237443 /nfs/dbraw/zinc/23/74/43/491237443.db2.gz UBYNUDGSFBXHGX-UHFFFAOYSA-N 2 1 356.536 0.484 20 0 FCADMP CC(=O)NCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000555074601 491237444 /nfs/dbraw/zinc/23/74/44/491237444.db2.gz UBYNUDGSFBXHGX-UHFFFAOYSA-N 2 1 356.536 0.484 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000570393152 491237962 /nfs/dbraw/zinc/23/79/62/491237962.db2.gz BWBTWERXHKUKKN-UHFFFAOYSA-N 2 1 358.446 0.389 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408587 489207803 /nfs/dbraw/zinc/20/78/03/489207803.db2.gz IWHNYXGFSNBGMU-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP COc1ccc(OC)c(C[N@H+](CCO)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000283052350 489210295 /nfs/dbraw/zinc/21/02/95/489210295.db2.gz JBBQDTVAKBXMQJ-UHFFFAOYSA-N 2 1 365.474 0.662 20 0 FCADMP COc1ccc(OC)c(C[N@@H+](CCO)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000283052350 489210297 /nfs/dbraw/zinc/21/02/97/489210297.db2.gz JBBQDTVAKBXMQJ-UHFFFAOYSA-N 2 1 365.474 0.662 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000283121302 489217801 /nfs/dbraw/zinc/21/78/01/489217801.db2.gz MXSSGIRPZPULQD-LJQANCHMSA-N 2 1 360.502 0.814 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283146958 489219750 /nfs/dbraw/zinc/21/97/50/489219750.db2.gz CBTZXKKNLAAXNT-KRWDZBQOSA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCSC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000332768454 489227527 /nfs/dbraw/zinc/22/75/27/489227527.db2.gz JJALPJVLURXPOE-RBSFLKMASA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000332768454 489227529 /nfs/dbraw/zinc/22/75/29/489227529.db2.gz JJALPJVLURXPOE-RBSFLKMASA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000332768454 489227532 /nfs/dbraw/zinc/22/75/32/489227532.db2.gz JJALPJVLURXPOE-RBSFLKMASA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000283248140 489232854 /nfs/dbraw/zinc/23/28/54/489232854.db2.gz AAZXOMHDACUYEM-UHFFFAOYSA-N 2 1 358.486 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000332855802 489239482 /nfs/dbraw/zinc/23/94/82/489239482.db2.gz YOHHHMPABJBGOC-BHYGNILZSA-N 2 1 354.495 0.072 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000332927923 489246753 /nfs/dbraw/zinc/24/67/53/489246753.db2.gz NDIYLDCDONUFON-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000332927923 489246756 /nfs/dbraw/zinc/24/67/56/489246756.db2.gz NDIYLDCDONUFON-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332971337 489252362 /nfs/dbraw/zinc/25/23/62/489252362.db2.gz DJPNHLMGJXIIKJ-BGTYHANMSA-N 2 1 368.522 0.461 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988890 489264576 /nfs/dbraw/zinc/26/45/76/489264576.db2.gz INFPUQZZYLZDJM-RDJZCZTQSA-N 2 1 366.506 0.650 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988890 489264579 /nfs/dbraw/zinc/26/45/79/489264579.db2.gz INFPUQZZYLZDJM-RDJZCZTQSA-N 2 1 366.506 0.650 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546529 489273116 /nfs/dbraw/zinc/27/31/16/489273116.db2.gz SCTADHGXFFCWQU-SZVBFZGTSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283546529 489273119 /nfs/dbraw/zinc/27/31/19/489273119.db2.gz SCTADHGXFFCWQU-SZVBFZGTSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283546529 489273123 /nfs/dbraw/zinc/27/31/23/489273123.db2.gz SCTADHGXFFCWQU-SZVBFZGTSA-N 2 1 370.497 0.976 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587962 489278246 /nfs/dbraw/zinc/27/82/46/489278246.db2.gz VIMYRFNJCTZINE-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283587962 489278247 /nfs/dbraw/zinc/27/82/47/489278247.db2.gz VIMYRFNJCTZINE-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283587962 489278248 /nfs/dbraw/zinc/27/82/48/489278248.db2.gz VIMYRFNJCTZINE-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000283706310 489293488 /nfs/dbraw/zinc/29/34/88/489293488.db2.gz IWSSLWORYNQWEW-HNNXBMFYSA-N 2 1 350.463 0.991 20 0 FCADMP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000570516329 491246678 /nfs/dbraw/zinc/24/66/78/491246678.db2.gz XIJDUBQGVYKMFD-MRXNPFEDSA-N 2 1 368.503 0.052 20 0 FCADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000570516329 491246680 /nfs/dbraw/zinc/24/66/80/491246680.db2.gz XIJDUBQGVYKMFD-MRXNPFEDSA-N 2 1 368.503 0.052 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075981 489313647 /nfs/dbraw/zinc/31/36/47/489313647.db2.gz CUWUBCXMYRUHFK-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000570489846 491244227 /nfs/dbraw/zinc/24/42/27/491244227.db2.gz NPCDHAQGLGPFID-OWCLPIDISA-N 2 1 355.479 0.582 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501162 491244663 /nfs/dbraw/zinc/24/46/63/491244663.db2.gz LBVKPRFNVDCQEJ-DOTOQJQBSA-N 2 1 359.474 0.238 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000286060632 489351630 /nfs/dbraw/zinc/35/16/30/489351630.db2.gz VYNBWZQPVXOYJB-AWEZNQCLSA-N 2 1 364.494 0.339 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286060632 489351632 /nfs/dbraw/zinc/35/16/32/489351632.db2.gz VYNBWZQPVXOYJB-AWEZNQCLSA-N 2 1 364.494 0.339 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286060632 489351634 /nfs/dbraw/zinc/35/16/34/489351634.db2.gz VYNBWZQPVXOYJB-AWEZNQCLSA-N 2 1 364.494 0.339 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000286477365 489395229 /nfs/dbraw/zinc/39/52/29/489395229.db2.gz LHRXBTQHZOEDTH-UHFFFAOYSA-N 2 1 373.457 0.565 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563532136 491252935 /nfs/dbraw/zinc/25/29/35/491252935.db2.gz IGSCQZKROVDQFS-JYJNAYRXSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933101 489406374 /nfs/dbraw/zinc/40/63/74/489406374.db2.gz SNOMGZVVELASKJ-IAGOWNOFSA-N 2 1 358.442 0.550 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933101 489406375 /nfs/dbraw/zinc/40/63/75/489406375.db2.gz SNOMGZVVELASKJ-IAGOWNOFSA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933101 489406376 /nfs/dbraw/zinc/40/63/76/489406376.db2.gz SNOMGZVVELASKJ-IAGOWNOFSA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933101 489406377 /nfs/dbraw/zinc/40/63/77/489406377.db2.gz SNOMGZVVELASKJ-IAGOWNOFSA-N 2 1 358.442 0.550 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000563536472 491253384 /nfs/dbraw/zinc/25/33/84/491253384.db2.gz LRONTLKBFXZXFF-VXGBXAGGSA-N 2 1 362.478 0.420 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC12CCOCC2 ZINC000570683624 491257713 /nfs/dbraw/zinc/25/77/13/491257713.db2.gz YILUDQCSYVXSFP-AWEZNQCLSA-N 2 1 350.463 0.538 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363184705 489434937 /nfs/dbraw/zinc/43/49/37/489434937.db2.gz FFJRRCVNLJPLBL-HOTGVXAUSA-N 2 1 369.506 0.829 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363220629 489440777 /nfs/dbraw/zinc/44/07/77/489440777.db2.gz FQYKNUDSNLLQFB-SFHVURJKSA-N 2 1 367.538 0.568 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000563616988 491258872 /nfs/dbraw/zinc/25/88/72/491258872.db2.gz RMRATHBHRSFWFZ-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371225174 489468683 /nfs/dbraw/zinc/46/86/83/489468683.db2.gz GVOTXSZTIRRPPK-ROUUACIJSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000423117684 489494749 /nfs/dbraw/zinc/49/47/49/489494749.db2.gz WSCHOEHNPPHUBQ-GOEBONIOSA-N 2 1 364.515 0.631 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423145946 489496541 /nfs/dbraw/zinc/49/65/41/489496541.db2.gz NEZTYZHAPQEJPK-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423149119 489497585 /nfs/dbraw/zinc/49/75/85/489497585.db2.gz XCRWLCBAGUCDBK-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162989 489497913 /nfs/dbraw/zinc/49/79/13/489497913.db2.gz LZXRPDOBPXPPDD-DLBZAZTESA-N 2 1 359.474 0.454 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423163635 489498036 /nfs/dbraw/zinc/49/80/36/489498036.db2.gz NCTTWBLNLLHCIC-KRWDZBQOSA-N 2 1 359.474 0.326 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423163269 489498328 /nfs/dbraw/zinc/49/83/28/489498328.db2.gz MJQZUKGLGGIBOT-KBAYOESNSA-N 2 1 373.501 0.700 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423240085 489506329 /nfs/dbraw/zinc/50/63/29/489506329.db2.gz KFVAVQXVDCZANK-RRQGHBQHSA-N 2 1 362.449 0.631 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)nc1 ZINC000415128262 489512382 /nfs/dbraw/zinc/51/23/82/489512382.db2.gz SSPQNYZGEODJLH-OAHLLOKOSA-N 2 1 362.478 0.477 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000415372504 489515874 /nfs/dbraw/zinc/51/58/74/489515874.db2.gz VHGWWJPQOAKATN-HUUCEWRRSA-N 2 1 362.474 0.960 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCC1 ZINC000415564809 489530328 /nfs/dbraw/zinc/53/03/28/489530328.db2.gz SWKOZJPSEYOVTE-UHFFFAOYSA-N 2 1 360.458 0.497 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000415571795 489531812 /nfs/dbraw/zinc/53/18/12/489531812.db2.gz UHNARBFOAXLHLY-STQMWFEESA-N 2 1 361.446 0.334 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000425823285 489532005 /nfs/dbraw/zinc/53/20/05/489532005.db2.gz VUDSHDYMUUKBKT-GOEBONIOSA-N 2 1 374.489 0.641 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000425875429 489537319 /nfs/dbraw/zinc/53/73/19/489537319.db2.gz ABTGBCYUGDZGPM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000425875429 489537321 /nfs/dbraw/zinc/53/73/21/489537321.db2.gz ABTGBCYUGDZGPM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415616479 489537748 /nfs/dbraw/zinc/53/77/48/489537748.db2.gz SXLKORCKZSXFPF-UHFFFAOYSA-N 2 1 354.401 0.974 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372115462 489546804 /nfs/dbraw/zinc/54/68/04/489546804.db2.gz GQDQMLKWZAQZMF-WMZOPIPTSA-N 2 1 351.491 0.811 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372115461 489547040 /nfs/dbraw/zinc/54/70/40/489547040.db2.gz GQDQMLKWZAQZMF-SJLPKXTDSA-N 2 1 351.491 0.811 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000555639329 491262145 /nfs/dbraw/zinc/26/21/45/491262145.db2.gz XOGQPKSRUKNUKP-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1)[NH+]1CCOCC1 ZINC000415815503 489554858 /nfs/dbraw/zinc/55/48/58/489554858.db2.gz LIXSYUHILPYILW-KYJSFNMBSA-N 2 1 372.469 0.839 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H]1CCO)NCC1(N2CCOCC2)CCCCC1 ZINC000426227701 489559999 /nfs/dbraw/zinc/55/99/99/489559999.db2.gz NJRKXGPSHBZWTJ-QGZVFWFLSA-N 2 1 353.507 0.985 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000555660235 491263092 /nfs/dbraw/zinc/26/30/92/491263092.db2.gz FPKGCOQXWCRYNX-QGZVFWFLSA-N 2 1 370.538 0.694 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000415964459 489566630 /nfs/dbraw/zinc/56/66/30/489566630.db2.gz SQMAUUCJDOAKLG-UKRRQHHQSA-N 2 1 374.489 0.607 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000415992762 489567583 /nfs/dbraw/zinc/56/75/83/489567583.db2.gz HQNAZMKCNLMCDL-QWHCGFSZSA-N 2 1 353.433 0.837 20 0 FCADMP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787352 491264310 /nfs/dbraw/zinc/26/43/10/491264310.db2.gz FTMYMJUIMQSKFY-IRXDYDNUSA-N 2 1 358.490 0.589 20 0 FCADMP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787352 491264312 /nfs/dbraw/zinc/26/43/12/491264312.db2.gz FTMYMJUIMQSKFY-IRXDYDNUSA-N 2 1 358.490 0.589 20 0 FCADMP COc1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000416335667 489583707 /nfs/dbraw/zinc/58/37/07/489583707.db2.gz WCJYUSQXOTVHBD-MRXNPFEDSA-N 2 1 362.474 0.964 20 0 FCADMP C[C@H](C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000426885593 489585483 /nfs/dbraw/zinc/58/54/83/489585483.db2.gz CWYGUTLPJFGJDD-WBVHZDCISA-N 2 1 364.490 0.562 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427261956 489599682 /nfs/dbraw/zinc/59/96/82/489599682.db2.gz CIDJWFWTIXEZPY-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP O=C(C[C@@H]1CCC[NH2+]CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000427269195 489600283 /nfs/dbraw/zinc/60/02/83/489600283.db2.gz HIQNYMXQVXPTRF-QGZVFWFLSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676038 489622746 /nfs/dbraw/zinc/62/27/46/489622746.db2.gz XNGGGVZJIFCTRZ-RYRKJORJSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372676038 489622748 /nfs/dbraw/zinc/62/27/48/489622748.db2.gz XNGGGVZJIFCTRZ-RYRKJORJSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372676038 489622752 /nfs/dbraw/zinc/62/27/52/489622752.db2.gz XNGGGVZJIFCTRZ-RYRKJORJSA-N 2 1 365.522 0.175 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000427878803 489625780 /nfs/dbraw/zinc/62/57/80/489625780.db2.gz AUKBXCZDYOCWPI-GASCZTMLSA-N 2 1 360.458 0.586 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000416824544 489630679 /nfs/dbraw/zinc/63/06/79/489630679.db2.gz ZNDIWZNATNEIIF-HUUCEWRRSA-N 2 1 365.478 0.911 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000416857124 489631852 /nfs/dbraw/zinc/63/18/52/489631852.db2.gz XVJCFPIPVYECRB-GDBMZVCRSA-N 2 1 350.463 0.976 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000416950424 489635225 /nfs/dbraw/zinc/63/52/25/489635225.db2.gz RDSJZGYYXGCZJY-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000417035427 489639189 /nfs/dbraw/zinc/63/91/89/489639189.db2.gz GGZBPSFWGMWJJT-QGZVFWFLSA-N 2 1 365.453 0.317 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417046484 489640086 /nfs/dbraw/zinc/64/00/86/489640086.db2.gz BIMZYHVZWRFCMR-GDBMZVCRSA-N 2 1 353.511 0.746 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457546297 489649237 /nfs/dbraw/zinc/64/92/37/489649237.db2.gz XECAHOJAZVWTMH-UHFFFAOYSA-N 2 1 354.495 0.653 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000417427971 489651745 /nfs/dbraw/zinc/65/17/45/489651745.db2.gz KBOHSVGPCLBLBE-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417419657 489651927 /nfs/dbraw/zinc/65/19/27/489651927.db2.gz DGKXPMWGAYTAPA-CVEARBPZSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417429829 489652302 /nfs/dbraw/zinc/65/23/02/489652302.db2.gz NXPJUURGAXYHJL-XHSDSOJGSA-N 2 1 353.511 0.616 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417429273 489652784 /nfs/dbraw/zinc/65/27/84/489652784.db2.gz MTKUCNFEGRZLRF-GVDBMIGSSA-N 2 1 365.522 0.616 20 0 FCADMP CC[N@@H+](CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000417467059 489655583 /nfs/dbraw/zinc/65/55/83/489655583.db2.gz VPNSIFUFETVQPD-ZDUSSCGKSA-N 2 1 353.433 0.852 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)C1 ZINC000417543684 489657528 /nfs/dbraw/zinc/65/75/28/489657528.db2.gz GHUOZRRLQSKRBI-MSOLQXFVSA-N 2 1 373.501 0.935 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)C1 ZINC000417543293 489657921 /nfs/dbraw/zinc/65/79/21/489657921.db2.gz FTENGLVHIQRRDD-QZTJIDSGSA-N 2 1 373.501 0.920 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)[N@@H+](C)C1CC1 ZINC000417550472 489658083 /nfs/dbraw/zinc/65/80/83/489658083.db2.gz LKJKGYHBTQTEFO-HLLBOEOZSA-N 2 1 365.522 0.759 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)c2)C1 ZINC000417550570 489658451 /nfs/dbraw/zinc/65/84/51/489658451.db2.gz VSRBCOGUMCFPLP-ROUUACIJSA-N 2 1 373.501 0.920 20 0 FCADMP C[NH2+]CCCNC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417644911 489660119 /nfs/dbraw/zinc/66/01/19/489660119.db2.gz AZSQZVHYJCANSX-UHFFFAOYSA-N 2 1 350.463 0.971 20 0 FCADMP C[NH2+]CCCNC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417644911 489660120 /nfs/dbraw/zinc/66/01/20/489660120.db2.gz AZSQZVHYJCANSX-UHFFFAOYSA-N 2 1 350.463 0.971 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000417648711 489660496 /nfs/dbraw/zinc/66/04/96/489660496.db2.gz OTICMQJQVKIXBV-KRWDZBQOSA-N 2 1 369.554 0.454 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428688798 489660648 /nfs/dbraw/zinc/66/06/48/489660648.db2.gz PAQGIXMYJZXSGE-MRXNPFEDSA-N 2 1 365.522 0.747 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417745615 489664110 /nfs/dbraw/zinc/66/41/10/489664110.db2.gz OGRNJZIJOFOGAA-VQIMIIECSA-N 2 1 360.506 0.972 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1=O ZINC000428956948 489668501 /nfs/dbraw/zinc/66/85/01/489668501.db2.gz ZICALADQDJVLME-QBPKDAKJSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NCc1ccccc1-n1ccnc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000570872051 491270610 /nfs/dbraw/zinc/27/06/10/491270610.db2.gz TWKNIGWZROHRPG-HNNXBMFYSA-N 2 1 353.426 0.841 20 0 FCADMP O=C(NCc1ccccc1-n1ccnc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000570872051 491270613 /nfs/dbraw/zinc/27/06/13/491270613.db2.gz TWKNIGWZROHRPG-HNNXBMFYSA-N 2 1 353.426 0.841 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)CCC(F)(F)F ZINC000418077318 489677942 /nfs/dbraw/zinc/67/79/42/489677942.db2.gz LNIQISPAXAVAOG-CQSZACIVSA-N 2 1 365.444 0.950 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000458406346 489681290 /nfs/dbraw/zinc/68/12/90/489681290.db2.gz CBKPRFWMAMNKCG-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000458406346 489681294 /nfs/dbraw/zinc/68/12/94/489681294.db2.gz CBKPRFWMAMNKCG-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000458406346 489681297 /nfs/dbraw/zinc/68/12/97/489681297.db2.gz CBKPRFWMAMNKCG-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000555755639 491270884 /nfs/dbraw/zinc/27/08/84/491270884.db2.gz UYPZEABOWNBPSX-UHFFFAOYSA-N 2 1 350.467 0.093 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265563 489683299 /nfs/dbraw/zinc/68/32/99/489683299.db2.gz VFHHJWDGVNDFCT-HNNXBMFYSA-N 2 1 362.478 0.689 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418201133 489684994 /nfs/dbraw/zinc/68/49/94/489684994.db2.gz RLICWBOHSCNCMR-LXZKKBNFSA-N 2 1 353.511 0.661 20 0 FCADMP C[NH2+]CCCNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418275957 489687729 /nfs/dbraw/zinc/68/77/29/489687729.db2.gz DWKGJIKOZPFTJS-HOTGVXAUSA-N 2 1 356.511 0.896 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000429674580 489696807 /nfs/dbraw/zinc/69/68/07/489696807.db2.gz YYSULIQFPQAZNY-UHFFFAOYSA-N 3 1 352.523 0.727 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155233 489697743 /nfs/dbraw/zinc/69/77/43/489697743.db2.gz ZJSUZQPHOPUOEF-YJBOKZPZSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155233 489697745 /nfs/dbraw/zinc/69/77/45/489697745.db2.gz ZJSUZQPHOPUOEF-YJBOKZPZSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155233 489697750 /nfs/dbraw/zinc/69/77/50/489697750.db2.gz ZJSUZQPHOPUOEF-YJBOKZPZSA-N 2 1 351.495 0.311 20 0 FCADMP COCC[NH2+]CCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000418513182 489702565 /nfs/dbraw/zinc/70/25/65/489702565.db2.gz URTKYLCWMIKPQU-CALCHBBNSA-N 2 1 355.527 0.422 20 0 FCADMP CCC[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH+]1CCOC ZINC000458848572 489705286 /nfs/dbraw/zinc/70/52/86/489705286.db2.gz RMQQDSBIRQEAQX-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP CCC[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[NH+]1CCOC ZINC000458848572 489705290 /nfs/dbraw/zinc/70/52/90/489705290.db2.gz RMQQDSBIRQEAQX-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624585 489712574 /nfs/dbraw/zinc/71/25/74/489712574.db2.gz ZCOHZBSJWNCJHP-KGLIPLIRSA-N 2 1 365.444 0.806 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805749 491273943 /nfs/dbraw/zinc/27/39/43/491273943.db2.gz WWUXSXLFGZSNFI-OAGGEKHMSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805749 491273945 /nfs/dbraw/zinc/27/39/45/491273945.db2.gz WWUXSXLFGZSNFI-OAGGEKHMSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805749 491273946 /nfs/dbraw/zinc/27/39/46/491273946.db2.gz WWUXSXLFGZSNFI-OAGGEKHMSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555805749 491273948 /nfs/dbraw/zinc/27/39/48/491273948.db2.gz WWUXSXLFGZSNFI-OAGGEKHMSA-N 2 1 370.538 0.837 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418760964 489723093 /nfs/dbraw/zinc/72/30/93/489723093.db2.gz FPZWVYDVFBRJHI-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418756086 489723223 /nfs/dbraw/zinc/72/32/23/489723223.db2.gz COFVMWJAOWZSLN-BZSNNMDCSA-N 2 1 362.474 0.157 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000555809372 491274582 /nfs/dbraw/zinc/27/45/82/491274582.db2.gz LBZFRTXBBXFCMS-KLHDSHLOSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000555809372 491274584 /nfs/dbraw/zinc/27/45/84/491274584.db2.gz LBZFRTXBBXFCMS-KLHDSHLOSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000563890894 491275504 /nfs/dbraw/zinc/27/55/04/491275504.db2.gz UNWRTXAJRWFJHQ-LTIDMASMSA-N 2 1 358.490 0.573 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000563890898 491275552 /nfs/dbraw/zinc/27/55/52/491275552.db2.gz UNWRTXAJRWFJHQ-YYIAUSFCSA-N 2 1 358.490 0.573 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000418826268 489741036 /nfs/dbraw/zinc/74/10/36/489741036.db2.gz BCIOXFISLZPOPZ-UKRRQHHQSA-N 2 1 350.463 0.386 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418830149 489742903 /nfs/dbraw/zinc/74/29/03/489742903.db2.gz JMFPPWFLCGKTFD-HNNXBMFYSA-N 2 1 354.495 0.109 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000418831420 489744339 /nfs/dbraw/zinc/74/43/39/489744339.db2.gz GGWCOEGMGLDAEH-BPUTZDHNSA-N 2 1 362.474 0.610 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000418834283 489745289 /nfs/dbraw/zinc/74/52/89/489745289.db2.gz OCMRAECWJKSCSO-HNNXBMFYSA-N 2 1 350.463 0.847 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418833994 489745631 /nfs/dbraw/zinc/74/56/31/489745631.db2.gz LNKHYUOEXWQNSX-ARFHVFGLSA-N 2 1 360.458 0.601 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1 ZINC000418834994 489746764 /nfs/dbraw/zinc/74/67/64/489746764.db2.gz PEGWTDGCNQICPZ-UHFFFAOYSA-N 2 1 352.479 0.135 20 0 FCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000430571654 489746868 /nfs/dbraw/zinc/74/68/68/489746868.db2.gz OQCBZBAGZOPEAU-ZDUSSCGKSA-N 2 1 350.467 0.129 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000430584271 489748637 /nfs/dbraw/zinc/74/86/37/489748637.db2.gz ORXIMYBCBYHQRK-GOSISDBHSA-N 3 1 354.539 0.781 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599851 489750213 /nfs/dbraw/zinc/75/02/13/489750213.db2.gz BKHNLJIWCVWBRA-RHSMWYFYSA-N 2 1 362.449 0.932 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599851 489750217 /nfs/dbraw/zinc/75/02/17/489750217.db2.gz BKHNLJIWCVWBRA-RHSMWYFYSA-N 2 1 362.449 0.932 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418840933 489751215 /nfs/dbraw/zinc/75/12/15/489751215.db2.gz YPAUODFUOKPVAW-UHFFFAOYSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605933 489751722 /nfs/dbraw/zinc/75/17/22/489751722.db2.gz TWYSFAQDISJFMR-BFHYXJOUSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605933 489751726 /nfs/dbraw/zinc/75/17/26/489751726.db2.gz TWYSFAQDISJFMR-BFHYXJOUSA-N 2 1 368.503 0.570 20 0 FCADMP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606565 489752222 /nfs/dbraw/zinc/75/22/22/489752222.db2.gz WHUWOCGZAZHLSB-FUHWJXTLSA-N 2 1 360.502 0.829 20 0 FCADMP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608517 489752258 /nfs/dbraw/zinc/75/22/58/489752258.db2.gz FSKFMFRFNSVPIR-FUHWJXTLSA-N 2 1 360.502 0.829 20 0 FCADMP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608518 489752637 /nfs/dbraw/zinc/75/26/37/489752637.db2.gz FSKFMFRFNSVPIR-SJLPKXTDSA-N 2 1 360.502 0.829 20 0 FCADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613945 489753233 /nfs/dbraw/zinc/75/32/33/489753233.db2.gz XVJGQXQBSNYIBY-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430619245 489754930 /nfs/dbraw/zinc/75/49/30/489754930.db2.gz AHYKPHGPUWDDAE-INIZCTEOSA-N 2 1 362.474 0.441 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000418850784 489756864 /nfs/dbraw/zinc/75/68/64/489756864.db2.gz OOCJHWQIPAUBKE-DZKIICNBSA-N 2 1 362.474 0.610 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000418850825 489756892 /nfs/dbraw/zinc/75/68/92/489756892.db2.gz OSXKUSNAGIIYQM-INMHGKMJSA-N 2 1 374.485 0.482 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626720 489757974 /nfs/dbraw/zinc/75/79/74/489757974.db2.gz MGHZJRWQMNTLPP-RBSFLKMASA-N 2 1 367.494 0.178 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630643 489758080 /nfs/dbraw/zinc/75/80/80/489758080.db2.gz RSUITSAAGGAYJT-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)n1C ZINC000418853906 489758264 /nfs/dbraw/zinc/75/82/64/489758264.db2.gz KFTFLVKICYUELO-UHFFFAOYSA-N 2 1 358.446 0.090 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418854354 489758526 /nfs/dbraw/zinc/75/85/26/489758526.db2.gz SZPAJBXTTIMUMX-IJEWVQPXSA-N 2 1 360.458 0.092 20 0 FCADMP [NH3+]C1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000430652152 489763296 /nfs/dbraw/zinc/76/32/96/489763296.db2.gz MUSVXRNZQJWDQK-UHFFFAOYSA-N 2 1 369.487 0.509 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418871277 489768228 /nfs/dbraw/zinc/76/82/28/489768228.db2.gz VEQWAZLLLBEMKU-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1C[C@H](C)O ZINC000430744424 489768982 /nfs/dbraw/zinc/76/89/82/489768982.db2.gz UQCHTTRQXIZJBW-UONOGXRCSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1C[C@H](C)O ZINC000430744424 489768983 /nfs/dbraw/zinc/76/89/83/489768983.db2.gz UQCHTTRQXIZJBW-UONOGXRCSA-N 2 1 350.467 0.120 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000430873721 489774382 /nfs/dbraw/zinc/77/43/82/489774382.db2.gz WJBBEGXORUXRLI-SFHVURJKSA-N 2 1 360.458 0.462 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000459870236 489775696 /nfs/dbraw/zinc/77/56/96/489775696.db2.gz QZDZYNRWGKBYOO-GOSISDBHSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000459870236 489775699 /nfs/dbraw/zinc/77/56/99/489775699.db2.gz QZDZYNRWGKBYOO-GOSISDBHSA-N 2 1 364.534 0.977 20 0 FCADMP COCCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000474658070 489777727 /nfs/dbraw/zinc/77/77/27/489777727.db2.gz GKMAHEWWKAMKHH-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP COCCN(CCCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000474658070 489777730 /nfs/dbraw/zinc/77/77/30/489777730.db2.gz GKMAHEWWKAMKHH-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP COCCN(CCCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000474658070 489777734 /nfs/dbraw/zinc/77/77/34/489777734.db2.gz GKMAHEWWKAMKHH-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459896397 489783846 /nfs/dbraw/zinc/78/38/46/489783846.db2.gz FGLVVDBCTHPLJT-KRWDZBQOSA-N 2 1 368.522 0.213 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459908583 489787280 /nfs/dbraw/zinc/78/72/80/489787280.db2.gz QPIISSOCBNGGGE-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000418912544 489787829 /nfs/dbraw/zinc/78/78/29/489787829.db2.gz DGWQNBSXLKPRPU-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916670 489789668 /nfs/dbraw/zinc/78/96/68/489789668.db2.gz XGRCXOACJTXUQR-SWLSCSKDSA-N 2 1 370.856 0.924 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000459921171 489793945 /nfs/dbraw/zinc/79/39/45/489793945.db2.gz OKDVNNFJNAIHPD-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418940898 489796807 /nfs/dbraw/zinc/79/68/07/489796807.db2.gz JTCCEWKCOQFZCB-SJORKVTESA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418942232 489797982 /nfs/dbraw/zinc/79/79/82/489797982.db2.gz ASEKDJQJENSZHO-ISWURRPUSA-N 2 1 362.449 0.678 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000418959956 489804602 /nfs/dbraw/zinc/80/46/02/489804602.db2.gz IGQCYITVCXCZLF-AYHJJNSGSA-N 2 1 358.486 0.976 20 0 FCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459995162 489811319 /nfs/dbraw/zinc/81/13/19/489811319.db2.gz XJTYZEUGYWUOKG-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459995162 489811325 /nfs/dbraw/zinc/81/13/25/489811325.db2.gz XJTYZEUGYWUOKG-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000459997713 489813346 /nfs/dbraw/zinc/81/33/46/489813346.db2.gz TVBZINPWLXZGHE-KRWDZBQOSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000459997713 489813349 /nfs/dbraw/zinc/81/33/49/489813349.db2.gz TVBZINPWLXZGHE-KRWDZBQOSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)c1 ZINC000460008406 489815966 /nfs/dbraw/zinc/81/59/66/489815966.db2.gz MYVQKKLFEGJHSZ-UHFFFAOYSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419019387 489820263 /nfs/dbraw/zinc/82/02/63/489820263.db2.gz DIRBYJVLAISCSI-LXTVHRRPSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022315 489821402 /nfs/dbraw/zinc/82/14/02/489821402.db2.gz IEOAJWLWHYWBBL-ILXRZTDVSA-N 2 1 368.522 0.842 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000460023741 489822082 /nfs/dbraw/zinc/82/20/82/489822082.db2.gz RYNUAIUGRCSVOR-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000460023741 489822084 /nfs/dbraw/zinc/82/20/84/489822084.db2.gz RYNUAIUGRCSVOR-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419034210 489827699 /nfs/dbraw/zinc/82/76/99/489827699.db2.gz DITGMQYADMTMGP-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419034028 489827820 /nfs/dbraw/zinc/82/78/20/489827820.db2.gz YYIVQSXTFXNRSP-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419036014 489828268 /nfs/dbraw/zinc/82/82/68/489828268.db2.gz GALZTVNEBYNHAW-QAETUUGQSA-N 2 1 368.522 0.448 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000419045707 489832901 /nfs/dbraw/zinc/83/29/01/489832901.db2.gz WZTPNJWLGVVXMS-JYJNAYRXSA-N 2 1 356.511 0.339 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419056063 489837584 /nfs/dbraw/zinc/83/75/84/489837584.db2.gz KQXDHNFXTRCOFV-USXIJHARSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419058178 489838422 /nfs/dbraw/zinc/83/84/22/489838422.db2.gz BHYHFGMOXXAGEV-TUVASFSCSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419058187 489838581 /nfs/dbraw/zinc/83/85/81/489838581.db2.gz BIBOJEDTZYYAHF-CBBWQLFWSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000419060177 489839103 /nfs/dbraw/zinc/83/91/03/489839103.db2.gz DUXOHKFNFJKDMS-LMRVLLHPSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000460061860 489839230 /nfs/dbraw/zinc/83/92/30/489839230.db2.gz MURZPVZRTATLIK-HNNXBMFYSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419062867 489840133 /nfs/dbraw/zinc/84/01/33/489840133.db2.gz HGNYEUYLYKUFAW-QLFBSQMISA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419062867 489840138 /nfs/dbraw/zinc/84/01/38/489840138.db2.gz HGNYEUYLYKUFAW-QLFBSQMISA-N 2 1 368.522 0.576 20 0 FCADMP O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431865 489841592 /nfs/dbraw/zinc/84/15/92/489841592.db2.gz FHHAYESQAFRTDN-IAGOWNOFSA-N 2 1 365.522 0.905 20 0 FCADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000419065492 489841682 /nfs/dbraw/zinc/84/16/82/489841682.db2.gz ADNLKHJANXOIBE-QZTJIDSGSA-N 2 1 374.485 0.467 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419067799 489842527 /nfs/dbraw/zinc/84/25/27/489842527.db2.gz GNSLDIPSGSJEGQ-GJZGRUSLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419067799 489842531 /nfs/dbraw/zinc/84/25/31/489842531.db2.gz GNSLDIPSGSJEGQ-GJZGRUSLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419071471 489845634 /nfs/dbraw/zinc/84/56/34/489845634.db2.gz LIKDFXFQBVTFGJ-LSDHHAIUSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419071471 489845637 /nfs/dbraw/zinc/84/56/37/489845637.db2.gz LIKDFXFQBVTFGJ-LSDHHAIUSA-N 2 1 362.474 0.377 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000460084191 489847467 /nfs/dbraw/zinc/84/74/67/489847467.db2.gz UENKCJOGAZCAFA-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084191 489847471 /nfs/dbraw/zinc/84/74/71/489847471.db2.gz UENKCJOGAZCAFA-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000460084191 489847477 /nfs/dbraw/zinc/84/74/77/489847477.db2.gz UENKCJOGAZCAFA-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419081647 489849529 /nfs/dbraw/zinc/84/95/29/489849529.db2.gz IISCLRGUIMDINH-TUVASFSCSA-N 2 1 354.495 0.186 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419086986 489851579 /nfs/dbraw/zinc/85/15/79/489851579.db2.gz OYXJRBRUPUXHTI-RBSFLKMASA-N 2 1 356.511 0.624 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[nH+]c1 ZINC000419098817 489855050 /nfs/dbraw/zinc/85/50/50/489855050.db2.gz OOCIYPBKOFJVIP-UHFFFAOYSA-N 2 1 373.501 1.299 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000419116261 489862872 /nfs/dbraw/zinc/86/28/72/489862872.db2.gz LDDQEHDKFXBEKD-UAGQMJEPSA-N 2 1 368.522 0.435 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CCSC1 ZINC000493946524 489863494 /nfs/dbraw/zinc/86/34/94/489863494.db2.gz DLKUFGJPNGSCDK-LSDHHAIUSA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCSC1 ZINC000493946524 489863498 /nfs/dbraw/zinc/86/34/98/489863498.db2.gz DLKUFGJPNGSCDK-LSDHHAIUSA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CCSC1 ZINC000493946524 489863502 /nfs/dbraw/zinc/86/35/02/489863502.db2.gz DLKUFGJPNGSCDK-LSDHHAIUSA-N 2 1 354.520 0.189 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120153 489866892 /nfs/dbraw/zinc/86/68/92/489866892.db2.gz XXGVYPZJVXMAME-INIZCTEOSA-N 3 1 352.523 0.901 20 0 FCADMP C[C@H]1CN(C2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120153 489866894 /nfs/dbraw/zinc/86/68/94/489866894.db2.gz XXGVYPZJVXMAME-INIZCTEOSA-N 2 1 352.523 0.901 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000476226663 489874872 /nfs/dbraw/zinc/87/48/72/489874872.db2.gz NLEVQFMROIQNCM-UHFFFAOYSA-N 2 1 373.505 0.978 20 0 FCADMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420005784 489879245 /nfs/dbraw/zinc/87/92/45/489879245.db2.gz XCYITNPEMYAXCD-GOSISDBHSA-N 2 1 358.486 0.632 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000433383832 489880795 /nfs/dbraw/zinc/88/07/95/489880795.db2.gz UMYRCTCJZWPWHJ-QLFBSQMISA-N 2 1 350.467 0.432 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420020110 489882517 /nfs/dbraw/zinc/88/25/17/489882517.db2.gz RPNLTZIILOCIAN-DOTOQJQBSA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420020110 489882520 /nfs/dbraw/zinc/88/25/20/489882520.db2.gz RPNLTZIILOCIAN-DOTOQJQBSA-N 2 1 367.538 0.105 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000460887403 489885620 /nfs/dbraw/zinc/88/56/20/489885620.db2.gz QOMOBMPQJGDNLR-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433470148 489888163 /nfs/dbraw/zinc/88/81/63/489888163.db2.gz YGWVWOTXMGEDSS-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433470148 489888166 /nfs/dbraw/zinc/88/81/66/489888166.db2.gz YGWVWOTXMGEDSS-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433470148 489888169 /nfs/dbraw/zinc/88/81/69/489888169.db2.gz YGWVWOTXMGEDSS-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420041756 489890808 /nfs/dbraw/zinc/89/08/08/489890808.db2.gz QAQFBXOOZLTSKW-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420041756 489890812 /nfs/dbraw/zinc/89/08/12/489890812.db2.gz QAQFBXOOZLTSKW-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044154 489891625 /nfs/dbraw/zinc/89/16/25/489891625.db2.gz SOZLKFJDWWGGKJ-BPUTZDHNSA-N 2 1 366.506 0.406 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420064470 489900109 /nfs/dbraw/zinc/90/01/09/489900109.db2.gz OWMLFCIZTYAYNP-RVKKMQEKSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420064470 489900113 /nfs/dbraw/zinc/90/01/13/489900113.db2.gz OWMLFCIZTYAYNP-RVKKMQEKSA-N 2 1 358.486 0.961 20 0 FCADMP CCN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420067702 489901062 /nfs/dbraw/zinc/90/10/62/489901062.db2.gz SUNITWAHYTWIPI-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420079275 489904626 /nfs/dbraw/zinc/90/46/26/489904626.db2.gz HFSCBRMTVFQOPG-XHSDSOJGSA-N 2 1 368.522 0.720 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420079275 489904628 /nfs/dbraw/zinc/90/46/28/489904628.db2.gz HFSCBRMTVFQOPG-XHSDSOJGSA-N 2 1 368.522 0.720 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420085490 489906447 /nfs/dbraw/zinc/90/64/47/489906447.db2.gz XNHMFKJJQCWCDS-CQSZACIVSA-N 2 1 354.495 0.332 20 0 FCADMP CN(CCC[N@@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377489218 489910294 /nfs/dbraw/zinc/91/02/94/489910294.db2.gz DBBCDGGNOPGSJW-MRXNPFEDSA-N 2 1 350.511 0.731 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097064 489911512 /nfs/dbraw/zinc/91/15/12/489911512.db2.gz HMVXCDJHHYOWRB-MSOLQXFVSA-N 2 1 356.470 0.991 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000420128492 489922696 /nfs/dbraw/zinc/92/26/96/489922696.db2.gz URCWGIWDPMGJSX-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000420128492 489922701 /nfs/dbraw/zinc/92/27/01/489922701.db2.gz URCWGIWDPMGJSX-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000495030627 489924620 /nfs/dbraw/zinc/92/46/20/489924620.db2.gz QHNRAGFZJBXFQY-OAHLLOKOSA-N 2 1 356.536 0.930 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000495030627 489924623 /nfs/dbraw/zinc/92/46/23/489924623.db2.gz QHNRAGFZJBXFQY-OAHLLOKOSA-N 2 1 356.536 0.930 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000495125617 489927477 /nfs/dbraw/zinc/92/74/77/489927477.db2.gz AXOGKRGJOFMYBJ-HOTGVXAUSA-N 2 1 370.538 0.972 20 0 FCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C2)CC1 ZINC000420152344 489933383 /nfs/dbraw/zinc/93/33/83/489933383.db2.gz OQGNJDKOKLBOKP-CQSZACIVSA-N 2 1 360.449 0.667 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477036556 489934146 /nfs/dbraw/zinc/93/41/46/489934146.db2.gz UMYLOMRMVIHCOQ-HRCADAONSA-N 2 1 370.538 0.837 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477036556 489934149 /nfs/dbraw/zinc/93/41/49/489934149.db2.gz UMYLOMRMVIHCOQ-HRCADAONSA-N 2 1 370.538 0.837 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000420157576 489934853 /nfs/dbraw/zinc/93/48/53/489934853.db2.gz PFJMARZUKFXJPE-FXUDXRNXSA-N 2 1 354.495 0.201 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000420162165 489936830 /nfs/dbraw/zinc/93/68/30/489936830.db2.gz DCEDPUQCWQZOQF-MRXNPFEDSA-N 2 1 366.506 0.204 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420166794 489937535 /nfs/dbraw/zinc/93/75/35/489937535.db2.gz OLIQQHISSWALLM-JKSUJKDBSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420178050 489942903 /nfs/dbraw/zinc/94/29/03/489942903.db2.gz SYNYXWNDYKIWQZ-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377734739 489950215 /nfs/dbraw/zinc/95/02/15/489950215.db2.gz OQTUPUZOSLQPCD-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434708621 489951399 /nfs/dbraw/zinc/95/13/99/489951399.db2.gz DARANLLVUQJDCZ-VGIQHARFSA-N 2 1 368.566 0.848 20 0 FCADMP C[C@H](CN1CCOCC1)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000434708621 489951404 /nfs/dbraw/zinc/95/14/04/489951404.db2.gz DARANLLVUQJDCZ-VGIQHARFSA-N 2 1 368.566 0.848 20 0 FCADMP C[C@H](CN1CCOCC1)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000434708621 489951409 /nfs/dbraw/zinc/95/14/09/489951409.db2.gz DARANLLVUQJDCZ-VGIQHARFSA-N 2 1 368.566 0.848 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420206595 489952480 /nfs/dbraw/zinc/95/24/80/489952480.db2.gz WGVVLUIYARNOKE-KRWDZBQOSA-N 2 1 366.506 0.206 20 0 FCADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299039 489961689 /nfs/dbraw/zinc/96/16/89/489961689.db2.gz GDMROJIMIFUBJK-WNHJNPCNSA-N 2 1 363.502 0.780 20 0 FCADMP Nc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc12 ZINC000420301982 489961743 /nfs/dbraw/zinc/96/17/43/489961743.db2.gz WCYOBEHQPMKATN-AWEZNQCLSA-N 2 1 354.458 0.856 20 0 FCADMP Nc1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc12 ZINC000420301982 489961745 /nfs/dbraw/zinc/96/17/45/489961745.db2.gz WCYOBEHQPMKATN-AWEZNQCLSA-N 2 1 354.458 0.856 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327215 489963893 /nfs/dbraw/zinc/96/38/93/489963893.db2.gz LBCTZTXXCPPLML-DLBZAZTESA-N 2 1 358.490 0.447 20 0 FCADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346009 489965703 /nfs/dbraw/zinc/96/57/03/489965703.db2.gz CAMPSSCOODOEFQ-QGZVFWFLSA-N 2 1 358.486 0.954 20 0 FCADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346009 489965705 /nfs/dbraw/zinc/96/57/05/489965705.db2.gz CAMPSSCOODOEFQ-QGZVFWFLSA-N 2 1 358.486 0.954 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000420380337 489969776 /nfs/dbraw/zinc/96/97/76/489969776.db2.gz NWYZXRKTLHNMSO-KRWDZBQOSA-N 2 1 360.437 0.872 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000420380337 489969778 /nfs/dbraw/zinc/96/97/78/489969778.db2.gz NWYZXRKTLHNMSO-KRWDZBQOSA-N 2 1 360.437 0.872 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000477617670 489977235 /nfs/dbraw/zinc/97/72/35/489977235.db2.gz SIUBIUYPONDCAN-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000477617670 489977239 /nfs/dbraw/zinc/97/72/39/489977239.db2.gz SIUBIUYPONDCAN-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP CSC1(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC[NH+](C)CC1 ZINC000462505853 489979086 /nfs/dbraw/zinc/97/90/86/489979086.db2.gz CWCGKIFYKBEJRH-GJZGRUSLSA-N 2 1 358.552 0.910 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000477650998 489981554 /nfs/dbraw/zinc/98/15/54/489981554.db2.gz HVERXJFBGITYGU-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000477706874 489986346 /nfs/dbraw/zinc/98/63/46/489986346.db2.gz ZCGQCKVOGBQQTD-INIZCTEOSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556082942 491293144 /nfs/dbraw/zinc/29/31/44/491293144.db2.gz WMTOPRKDQIKSDB-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477874191 489994498 /nfs/dbraw/zinc/99/44/98/489994498.db2.gz FSLGVJKOZZPRIO-TWMKSMIVSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477874191 489994499 /nfs/dbraw/zinc/99/44/99/489994499.db2.gz FSLGVJKOZZPRIO-TWMKSMIVSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477874191 489994503 /nfs/dbraw/zinc/99/45/03/489994503.db2.gz FSLGVJKOZZPRIO-TWMKSMIVSA-N 2 1 356.511 0.582 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]12 ZINC000435380519 490000466 /nfs/dbraw/zinc/00/04/66/490000466.db2.gz OMDYOQLBVMRNDN-HYVNUMGLSA-N 2 1 365.499 0.877 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]12 ZINC000435380519 490000467 /nfs/dbraw/zinc/00/04/67/490000467.db2.gz OMDYOQLBVMRNDN-HYVNUMGLSA-N 2 1 365.499 0.877 20 0 FCADMP CN(CC(=O)OC(C)(C)C)C[C@@H]1CN(CC[N@H+]2CCCOCC2)CCO1 ZINC000463196872 490004130 /nfs/dbraw/zinc/00/41/30/490004130.db2.gz GLOQCCGANWMGQA-QGZVFWFLSA-N 2 1 371.522 0.683 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378132410 490014475 /nfs/dbraw/zinc/01/44/75/490014475.db2.gz QBUQGPFIQGGDSA-KRWDZBQOSA-N 2 1 361.490 0.418 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000420770802 490021545 /nfs/dbraw/zinc/02/15/45/490021545.db2.gz QUNHNAWPFZTOSQ-CABCVRRESA-N 2 1 350.463 0.940 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000420770802 490021547 /nfs/dbraw/zinc/02/15/47/490021547.db2.gz QUNHNAWPFZTOSQ-CABCVRRESA-N 2 1 350.463 0.940 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420906020 490030717 /nfs/dbraw/zinc/03/07/17/490030717.db2.gz RKVUYKVGUWISCY-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000420906020 490030720 /nfs/dbraw/zinc/03/07/20/490030720.db2.gz RKVUYKVGUWISCY-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000420906020 490030723 /nfs/dbraw/zinc/03/07/23/490030723.db2.gz RKVUYKVGUWISCY-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438706993 490036589 /nfs/dbraw/zinc/03/65/89/490036589.db2.gz BDUDHNAWTIBGOW-UHFFFAOYSA-N 2 1 365.526 0.984 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)nc2)CC1 ZINC000378303964 490043543 /nfs/dbraw/zinc/04/35/43/490043543.db2.gz HTEVDKVHNNOOTC-GOSISDBHSA-N 2 1 372.517 0.940 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)nc2)CC1 ZINC000378303965 490043930 /nfs/dbraw/zinc/04/39/30/490043930.db2.gz HTEVDKVHNNOOTC-SFHVURJKSA-N 2 1 372.517 0.940 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378316233 490047012 /nfs/dbraw/zinc/04/70/12/490047012.db2.gz NGQKWRDORYYKCN-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC000378314877 490048203 /nfs/dbraw/zinc/04/82/03/490048203.db2.gz LPVVQKWDAYSQTB-IBGZPJMESA-N 2 1 357.502 0.762 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479201251 490072670 /nfs/dbraw/zinc/07/26/70/490072670.db2.gz CNYIBWYWYIDTQU-INIZCTEOSA-N 2 1 350.438 0.491 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479201252 490072844 /nfs/dbraw/zinc/07/28/44/490072844.db2.gz CNYIBWYWYIDTQU-MRXNPFEDSA-N 2 1 350.438 0.491 20 0 FCADMP COCC1(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC[NH2+]CC1 ZINC000479220125 490075546 /nfs/dbraw/zinc/07/55/46/490075546.db2.gz DPAQRLOFUBBSFR-UHFFFAOYSA-N 2 1 362.478 0.207 20 0 FCADMP C[C@H]1C[N@@H+](C2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CCO1 ZINC000491042803 490075564 /nfs/dbraw/zinc/07/55/64/490075564.db2.gz XSWPFHNDRMHCLQ-HNNXBMFYSA-N 2 1 356.536 0.930 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CCO1 ZINC000491042803 490075567 /nfs/dbraw/zinc/07/55/67/490075567.db2.gz XSWPFHNDRMHCLQ-HNNXBMFYSA-N 2 1 356.536 0.930 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556141902 491297339 /nfs/dbraw/zinc/29/73/39/491297339.db2.gz SKMPJFFTYXGMIC-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524546 490078693 /nfs/dbraw/zinc/07/86/93/490078693.db2.gz BMCCOYGNTNIJMT-KZNAEPCWSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524546 490078700 /nfs/dbraw/zinc/07/87/00/490078700.db2.gz BMCCOYGNTNIJMT-KZNAEPCWSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524546 490078705 /nfs/dbraw/zinc/07/87/05/490078705.db2.gz BMCCOYGNTNIJMT-KZNAEPCWSA-N 2 1 365.522 0.129 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000519810885 490087263 /nfs/dbraw/zinc/08/72/63/490087263.db2.gz FLEMERRANVIDIZ-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)cs1 ZINC000545171917 490090636 /nfs/dbraw/zinc/09/06/36/490090636.db2.gz MWRIGMXCALTLFA-QGZVFWFLSA-N 2 1 352.504 0.846 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)cs1 ZINC000545171917 490090637 /nfs/dbraw/zinc/09/06/37/490090637.db2.gz MWRIGMXCALTLFA-QGZVFWFLSA-N 2 1 352.504 0.846 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000564309291 491299334 /nfs/dbraw/zinc/29/93/34/491299334.db2.gz AFRDSBZCYHFUCV-SJORKVTESA-N 2 1 364.515 0.973 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000564309291 491299335 /nfs/dbraw/zinc/29/93/35/491299335.db2.gz AFRDSBZCYHFUCV-SJORKVTESA-N 2 1 364.515 0.973 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496266589 490109265 /nfs/dbraw/zinc/10/92/65/490109265.db2.gz NVOSAYZXAIDKLW-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000496365773 490115252 /nfs/dbraw/zinc/11/52/52/490115252.db2.gz UWHFMZVYEMRNJV-HNNXBMFYSA-N 2 1 369.554 0.221 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496393495 490115687 /nfs/dbraw/zinc/11/56/87/490115687.db2.gz IOTVRORBUDCGCT-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)o1 ZINC000479689789 490115675 /nfs/dbraw/zinc/11/56/75/490115675.db2.gz RQEZCWVETKTEKQ-UHFFFAOYSA-N 2 1 370.475 0.075 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC000520204983 490117093 /nfs/dbraw/zinc/11/70/93/490117093.db2.gz VXAGCHCZXSMPSX-WCXIOVBPSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000520228384 490119124 /nfs/dbraw/zinc/11/91/24/490119124.db2.gz JEZUWDFEOUGDBB-FCEWJHQRSA-N 2 1 360.502 0.929 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000520228384 490119129 /nfs/dbraw/zinc/11/91/29/490119129.db2.gz JEZUWDFEOUGDBB-FCEWJHQRSA-N 2 1 360.502 0.929 20 0 FCADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000496499274 490121728 /nfs/dbraw/zinc/12/17/28/490121728.db2.gz USSVJPIGEYNLLO-MRXNPFEDSA-N 2 1 364.494 0.762 20 0 FCADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341684 491301838 /nfs/dbraw/zinc/30/18/38/491301838.db2.gz PSEWXEQTZZDNKE-IEBWSBKVSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341684 491301840 /nfs/dbraw/zinc/30/18/40/491301840.db2.gz PSEWXEQTZZDNKE-IEBWSBKVSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341684 491301842 /nfs/dbraw/zinc/30/18/42/491301842.db2.gz PSEWXEQTZZDNKE-IEBWSBKVSA-N 2 1 350.459 0.742 20 0 FCADMP [NH3+]CCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1 ZINC000390958487 490140311 /nfs/dbraw/zinc/14/03/11/490140311.db2.gz XEJQYRRNXNZBLP-INIZCTEOSA-N 2 1 358.446 0.258 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947094 490154952 /nfs/dbraw/zinc/15/49/52/490154952.db2.gz HQQWTCJKDBKBFD-IRXDYDNUSA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947094 490154961 /nfs/dbraw/zinc/15/49/61/490154961.db2.gz HQQWTCJKDBKBFD-IRXDYDNUSA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947094 490154970 /nfs/dbraw/zinc/15/49/70/490154970.db2.gz HQQWTCJKDBKBFD-IRXDYDNUSA-N 2 1 355.527 0.280 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446288163 490158171 /nfs/dbraw/zinc/15/81/71/490158171.db2.gz NYPMYTILCQSSPA-FUHIMQAGSA-N 2 1 366.550 0.909 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000466224596 490172196 /nfs/dbraw/zinc/17/21/96/490172196.db2.gz KMMDWJXZCCFHOI-WMLDXEAASA-N 2 1 365.522 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000466224596 490172205 /nfs/dbraw/zinc/17/22/05/490172205.db2.gz KMMDWJXZCCFHOI-WMLDXEAASA-N 2 1 365.522 0.759 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000422126484 490178703 /nfs/dbraw/zinc/17/87/03/490178703.db2.gz WVNXXPQOFINNAS-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401121 491305206 /nfs/dbraw/zinc/30/52/06/491305206.db2.gz PYNVTMUBRWYQIF-SJLPKXTDSA-N 2 1 362.522 0.811 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770599 490186648 /nfs/dbraw/zinc/18/66/48/490186648.db2.gz JSMUVPLTLLUKPA-ZWKOTPCHSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000520770599 490186655 /nfs/dbraw/zinc/18/66/55/490186655.db2.gz JSMUVPLTLLUKPA-ZWKOTPCHSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000520770599 490186662 /nfs/dbraw/zinc/18/66/62/490186662.db2.gz JSMUVPLTLLUKPA-ZWKOTPCHSA-N 2 1 373.501 0.750 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577748 490197190 /nfs/dbraw/zinc/19/71/90/490197190.db2.gz YXKQFOULKVCNRR-FUHWJXTLSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577748 490197193 /nfs/dbraw/zinc/19/71/93/490197193.db2.gz YXKQFOULKVCNRR-FUHWJXTLSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577748 490197196 /nfs/dbraw/zinc/19/71/96/490197196.db2.gz YXKQFOULKVCNRR-FUHWJXTLSA-N 2 1 367.538 0.158 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603726 490216321 /nfs/dbraw/zinc/21/63/21/490216321.db2.gz APVUMJYAYKPYEQ-IEBWSBKVSA-N 2 1 354.539 0.877 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000521038714 490216655 /nfs/dbraw/zinc/21/66/55/490216655.db2.gz HSGYGOMPHGHVBL-IKGGRYGDSA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000507413865 490218677 /nfs/dbraw/zinc/21/86/77/490218677.db2.gz MVBSIBLFSOXYLU-GOSISDBHSA-N 2 1 369.554 0.408 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1COCCN1C ZINC000497848937 490223693 /nfs/dbraw/zinc/22/36/93/490223693.db2.gz SRKFESUQKIQRIU-IBGZPJMESA-N 2 1 366.550 0.972 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466931426 490226908 /nfs/dbraw/zinc/22/69/08/490226908.db2.gz VATQQCNNTFPYNP-HNNXBMFYSA-N 2 1 370.494 0.424 20 0 FCADMP C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000521137636 490228315 /nfs/dbraw/zinc/22/83/15/490228315.db2.gz YCWFVEVDJLHMNS-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000521137636 490228319 /nfs/dbraw/zinc/22/83/19/490228319.db2.gz YCWFVEVDJLHMNS-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000497928964 490234415 /nfs/dbraw/zinc/23/44/15/490234415.db2.gz ZAYITMOPVYLZNO-MJGOQNOKSA-N 2 1 352.523 0.630 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000521515897 490271578 /nfs/dbraw/zinc/27/15/78/490271578.db2.gz KPCKGZSUEPHWHS-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000521515897 490271583 /nfs/dbraw/zinc/27/15/83/490271583.db2.gz KPCKGZSUEPHWHS-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c2)C1 ZINC000498209461 490272428 /nfs/dbraw/zinc/27/24/28/490272428.db2.gz YQKBMYMEWUMGCU-GJZGRUSLSA-N 2 1 368.428 0.983 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC(F)F)c2)C1 ZINC000498209463 490273307 /nfs/dbraw/zinc/27/33/07/490273307.db2.gz YQKBMYMEWUMGCU-LSDHHAIUSA-N 2 1 368.428 0.983 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000422403149 490300862 /nfs/dbraw/zinc/30/08/62/490300862.db2.gz HKDZGMQBCSBAGR-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000422403149 490300867 /nfs/dbraw/zinc/30/08/67/490300867.db2.gz HKDZGMQBCSBAGR-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC000422403149 490300871 /nfs/dbraw/zinc/30/08/71/490300871.db2.gz HKDZGMQBCSBAGR-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000422403149 490300875 /nfs/dbraw/zinc/30/08/75/490300875.db2.gz HKDZGMQBCSBAGR-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000483423207 490317263 /nfs/dbraw/zinc/31/72/63/490317263.db2.gz XXXAAOWJVMESBP-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000448228721 490321716 /nfs/dbraw/zinc/32/17/16/490321716.db2.gz GCLOUHJWHBLEDN-QGZVFWFLSA-N 2 1 370.457 0.686 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)CC[C@H]2C)CC1=O ZINC000498725947 490331676 /nfs/dbraw/zinc/33/16/76/490331676.db2.gz KTZRZPPJPYXVJH-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1=O ZINC000498725947 490331683 /nfs/dbraw/zinc/33/16/83/490331683.db2.gz KTZRZPPJPYXVJH-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1=O ZINC000498725947 490331692 /nfs/dbraw/zinc/33/16/92/490331692.db2.gz KTZRZPPJPYXVJH-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534275636 490340928 /nfs/dbraw/zinc/34/09/28/490340928.db2.gz BQWUCHJMJCBWFG-MSOLQXFVSA-N 2 1 372.517 0.098 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534275636 490340932 /nfs/dbraw/zinc/34/09/32/490340932.db2.gz BQWUCHJMJCBWFG-MSOLQXFVSA-N 2 1 372.517 0.098 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000522150274 490347247 /nfs/dbraw/zinc/34/72/47/490347247.db2.gz KPVXIQNVXJLOMI-UHFFFAOYSA-N 2 1 352.460 0.597 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000498852697 490353697 /nfs/dbraw/zinc/35/36/97/490353697.db2.gz VKUZKGOAVAFAPB-GOSISDBHSA-N 2 1 362.518 0.945 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000498852697 490353699 /nfs/dbraw/zinc/35/36/99/490353699.db2.gz VKUZKGOAVAFAPB-GOSISDBHSA-N 2 1 362.518 0.945 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000498852697 490353702 /nfs/dbraw/zinc/35/37/02/490353702.db2.gz VKUZKGOAVAFAPB-GOSISDBHSA-N 2 1 362.518 0.945 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422493303 490359411 /nfs/dbraw/zinc/35/94/11/490359411.db2.gz PXWGJUODYQMAHH-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422493303 490359417 /nfs/dbraw/zinc/35/94/17/490359417.db2.gz PXWGJUODYQMAHH-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422493303 490359426 /nfs/dbraw/zinc/35/94/26/490359426.db2.gz PXWGJUODYQMAHH-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422493303 490359434 /nfs/dbraw/zinc/35/94/34/490359434.db2.gz PXWGJUODYQMAHH-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000498946852 490369275 /nfs/dbraw/zinc/36/92/75/490369275.db2.gz FXLATCPSDBANDQ-MRXNPFEDSA-N 2 1 350.507 0.943 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953823 490371715 /nfs/dbraw/zinc/37/17/15/490371715.db2.gz DSRJYBNVGUKPLR-DLBZAZTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953823 490371722 /nfs/dbraw/zinc/37/17/22/490371722.db2.gz DSRJYBNVGUKPLR-DLBZAZTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000498953823 490371723 /nfs/dbraw/zinc/37/17/23/490371723.db2.gz DSRJYBNVGUKPLR-DLBZAZTESA-N 2 1 350.507 0.943 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000522449025 490379295 /nfs/dbraw/zinc/37/92/95/490379295.db2.gz FAJDOKIZPSAGPY-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000522449025 490379298 /nfs/dbraw/zinc/37/92/98/490379298.db2.gz FAJDOKIZPSAGPY-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000522449025 490379303 /nfs/dbraw/zinc/37/93/03/490379303.db2.gz FAJDOKIZPSAGPY-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP COC(=O)COC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000449263794 490407216 /nfs/dbraw/zinc/40/72/16/490407216.db2.gz JUJMXIZRQAISBO-RDBSUJKOSA-N 2 1 369.441 0.627 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423518 490425737 /nfs/dbraw/zinc/42/57/37/490425737.db2.gz AUXUSDVKDZTUAA-KRWDZBQOSA-N 2 1 370.538 0.976 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918133 490425779 /nfs/dbraw/zinc/42/57/79/490425779.db2.gz WFTXMTLTHMJFHD-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918133 490425783 /nfs/dbraw/zinc/42/57/83/490425783.db2.gz WFTXMTLTHMJFHD-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918133 490425790 /nfs/dbraw/zinc/42/57/90/490425790.db2.gz WFTXMTLTHMJFHD-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918133 490425794 /nfs/dbraw/zinc/42/57/94/490425794.db2.gz WFTXMTLTHMJFHD-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534963088 490430478 /nfs/dbraw/zinc/43/04/78/490430478.db2.gz SMBJPFYFQZXDCA-INIZCTEOSA-N 2 1 365.478 0.542 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000535007802 490435767 /nfs/dbraw/zinc/43/57/67/490435767.db2.gz NMLIFYNPRMNPIL-GUDVDZBRSA-N 2 1 363.550 0.393 20 0 FCADMP O=C(CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000564786845 491326438 /nfs/dbraw/zinc/32/64/38/491326438.db2.gz RPWWBNOGAXEWDV-UHFFFAOYSA-N 2 1 365.522 0.716 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1F ZINC000411376561 490443885 /nfs/dbraw/zinc/44/38/85/490443885.db2.gz UNJOCMLAJVRBMG-UHFFFAOYSA-N 2 1 366.437 0.869 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000411408298 490451778 /nfs/dbraw/zinc/45/17/78/490451778.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 2 1 367.582 0.933 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000411408298 490451787 /nfs/dbraw/zinc/45/17/87/490451787.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 2 1 367.582 0.933 20 0 FCADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571770295 491327857 /nfs/dbraw/zinc/32/78/57/491327857.db2.gz TUBNJKYTHCVQFZ-QZTJIDSGSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571770295 491327858 /nfs/dbraw/zinc/32/78/58/491327858.db2.gz TUBNJKYTHCVQFZ-QZTJIDSGSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000535337520 490480598 /nfs/dbraw/zinc/48/05/98/490480598.db2.gz XKGQFPXKSREPIS-HNNXBMFYSA-N 2 1 356.536 0.340 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941686 490481015 /nfs/dbraw/zinc/48/10/15/490481015.db2.gz YEABOIWQMLRWIP-OSFYFWSMSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941686 490481020 /nfs/dbraw/zinc/48/10/20/490481020.db2.gz YEABOIWQMLRWIP-OSFYFWSMSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000523662554 490482839 /nfs/dbraw/zinc/48/28/39/490482839.db2.gz LCUAHOKNDUGLQI-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000523662554 490482843 /nfs/dbraw/zinc/48/28/43/490482843.db2.gz LCUAHOKNDUGLQI-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984749 490485773 /nfs/dbraw/zinc/48/57/73/490485773.db2.gz CWWYQEJBMJRQNO-YJBOKZPZSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984749 490485779 /nfs/dbraw/zinc/48/57/79/490485779.db2.gz CWWYQEJBMJRQNO-YJBOKZPZSA-N 2 1 374.485 0.444 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915764 490503708 /nfs/dbraw/zinc/50/37/08/490503708.db2.gz KAQMWNAKTJDUFE-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915764 490503714 /nfs/dbraw/zinc/50/37/14/490503714.db2.gz KAQMWNAKTJDUFE-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915764 490503720 /nfs/dbraw/zinc/50/37/20/490503720.db2.gz KAQMWNAKTJDUFE-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CC[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000556741322 491332037 /nfs/dbraw/zinc/33/20/37/491332037.db2.gz YISWVMQJRKIGHQ-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000556741322 491332040 /nfs/dbraw/zinc/33/20/40/491332040.db2.gz YISWVMQJRKIGHQ-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394143 490510818 /nfs/dbraw/zinc/51/08/18/490510818.db2.gz OOLDISZJUHCXSH-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500436062 490516227 /nfs/dbraw/zinc/51/62/27/490516227.db2.gz PZGRXXPSQSZQIV-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500436062 490516234 /nfs/dbraw/zinc/51/62/34/490516234.db2.gz PZGRXXPSQSZQIV-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423032250 490523926 /nfs/dbraw/zinc/52/39/26/490523926.db2.gz FDORSAOXPPPGAW-MOPGFXCFSA-N 2 1 370.497 0.441 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423038459 490526937 /nfs/dbraw/zinc/52/69/37/490526937.db2.gz OJRZLYHLFIKMQB-SFHVURJKSA-N 2 1 358.486 0.584 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000423040681 490528635 /nfs/dbraw/zinc/52/86/35/490528635.db2.gz USZNDIGXVROAFA-PKOBYXMFSA-N 2 1 372.513 0.817 20 0 FCADMP CCN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423062631 490533151 /nfs/dbraw/zinc/53/31/51/490533151.db2.gz UOLGZDMNSDDYMZ-ROUUACIJSA-N 2 1 374.485 0.296 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000485541828 490540641 /nfs/dbraw/zinc/54/06/41/490540641.db2.gz ZOXADSKHXSDUHD-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541828 490540647 /nfs/dbraw/zinc/54/06/47/490540647.db2.gz ZOXADSKHXSDUHD-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541828 490540651 /nfs/dbraw/zinc/54/06/51/490540651.db2.gz ZOXADSKHXSDUHD-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485558305 490542957 /nfs/dbraw/zinc/54/29/57/490542957.db2.gz BGCJUOOEKQTNBQ-UHFFFAOYSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC000500762972 490549539 /nfs/dbraw/zinc/54/95/39/490549539.db2.gz ITUAWUVOIVORAX-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC000500762972 490549543 /nfs/dbraw/zinc/54/95/43/490549543.db2.gz ITUAWUVOIVORAX-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC000500785842 490553260 /nfs/dbraw/zinc/55/32/60/490553260.db2.gz QVFDOMXUGIGFBB-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000500848352 490558906 /nfs/dbraw/zinc/55/89/06/490558906.db2.gz VDADCLOGPMWCNP-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000500848352 490558909 /nfs/dbraw/zinc/55/89/09/490558909.db2.gz VDADCLOGPMWCNP-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000500848352 490558912 /nfs/dbraw/zinc/55/89/12/490558912.db2.gz VDADCLOGPMWCNP-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000524783704 490560343 /nfs/dbraw/zinc/56/03/43/490560343.db2.gz XHFAULZIBSHQJG-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP O=C(COC1CC[NH2+]CC1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000564914323 491336183 /nfs/dbraw/zinc/33/61/83/491336183.db2.gz AZCODQJZKXCAEL-UHFFFAOYSA-N 2 1 361.490 0.479 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000564922548 491336899 /nfs/dbraw/zinc/33/68/99/491336899.db2.gz XEDQQCSSKAWJFO-ZWKOTPCHSA-N 2 1 358.486 0.535 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410159 490592517 /nfs/dbraw/zinc/59/25/17/490592517.db2.gz MYOZHKNERLXMCI-GOEBONIOSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000511410159 490592519 /nfs/dbraw/zinc/59/25/19/490592519.db2.gz MYOZHKNERLXMCI-GOEBONIOSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000511410159 490592525 /nfs/dbraw/zinc/59/25/25/490592525.db2.gz MYOZHKNERLXMCI-GOEBONIOSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000571941755 491339107 /nfs/dbraw/zinc/33/91/07/491339107.db2.gz XVZPTKXLVYPBAW-YYIAUSFCSA-N 2 1 365.522 0.698 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000525684490 490618931 /nfs/dbraw/zinc/61/89/31/490618931.db2.gz SNCDIAXDGXDMSW-GUDVDZBRSA-N 2 1 355.523 0.643 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000550014669 490619356 /nfs/dbraw/zinc/61/93/56/490619356.db2.gz CBVCJFHBFBUDGI-DLBZAZTESA-N 2 1 356.470 0.730 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000550014669 490619364 /nfs/dbraw/zinc/61/93/64/490619364.db2.gz CBVCJFHBFBUDGI-DLBZAZTESA-N 2 1 356.470 0.730 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1nncn1C ZINC000550008542 490619581 /nfs/dbraw/zinc/61/95/81/490619581.db2.gz BYITYVNULSVBHW-OAHLLOKOSA-N 2 1 352.483 0.206 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccsc3)CC2)C[C@H](C)[N@H+]1C ZINC000571978266 491340840 /nfs/dbraw/zinc/34/08/40/491340840.db2.gz NCURAFJNJPTYHU-GASCZTMLSA-N 2 1 364.515 0.943 20 0 FCADMP CCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702528 490624012 /nfs/dbraw/zinc/62/40/12/490624012.db2.gz PYGJQXFHBWXSQG-CABCVRRESA-N 2 1 352.479 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000536933944 490625594 /nfs/dbraw/zinc/62/55/94/490625594.db2.gz SKQCAFOETOCCNE-FGTMMUONSA-N 2 1 366.506 0.834 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000536933944 490625600 /nfs/dbraw/zinc/62/56/00/490625600.db2.gz SKQCAFOETOCCNE-FGTMMUONSA-N 2 1 366.506 0.834 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550107321 490626287 /nfs/dbraw/zinc/62/62/87/490626287.db2.gz IPAWKVAIAZVTBZ-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000550199149 490639741 /nfs/dbraw/zinc/63/97/41/490639741.db2.gz TUUATXSREUDCCV-MRXNPFEDSA-N 2 1 366.425 0.947 20 0 FCADMP O=S(=O)(CC[NH2+]C1CC[NH+](CC2CC2)CC1)NC[C@@H]1CCCCO1 ZINC000537059046 490642379 /nfs/dbraw/zinc/64/23/79/490642379.db2.gz LLLQXMKPSMAUQI-KRWDZBQOSA-N 2 1 359.536 0.939 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486517814 490642466 /nfs/dbraw/zinc/64/24/66/490642466.db2.gz NCHUNVNYIVVHNZ-QZWWFDLISA-N 2 1 366.550 0.983 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486517814 490642471 /nfs/dbraw/zinc/64/24/71/490642471.db2.gz NCHUNVNYIVVHNZ-QZWWFDLISA-N 2 1 366.550 0.983 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486517814 490642476 /nfs/dbraw/zinc/64/24/76/490642476.db2.gz NCHUNVNYIVVHNZ-QZWWFDLISA-N 2 1 366.550 0.983 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000501980255 490663175 /nfs/dbraw/zinc/66/31/75/490663175.db2.gz VMBXQCAWYJWTCV-DIYYGHKSSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000501980255 490663180 /nfs/dbraw/zinc/66/31/80/490663180.db2.gz VMBXQCAWYJWTCV-DIYYGHKSSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000501980255 490663185 /nfs/dbraw/zinc/66/31/85/490663185.db2.gz VMBXQCAWYJWTCV-DIYYGHKSSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486721762 490664653 /nfs/dbraw/zinc/66/46/53/490664653.db2.gz ICGGEKWPRKBDBI-ZYGGUILKSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486721762 490664657 /nfs/dbraw/zinc/66/46/57/490664657.db2.gz ICGGEKWPRKBDBI-ZYGGUILKSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486721762 490664662 /nfs/dbraw/zinc/66/46/62/490664662.db2.gz ICGGEKWPRKBDBI-ZYGGUILKSA-N 2 1 352.523 0.689 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486721757 490664885 /nfs/dbraw/zinc/66/48/85/490664885.db2.gz ICGGEKWPRKBDBI-NCOADZHNSA-N 2 1 352.523 0.689 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000572028838 491343754 /nfs/dbraw/zinc/34/37/54/491343754.db2.gz HMTRIOQEIWQUHF-HUUCEWRRSA-N 2 1 353.438 0.742 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000502019824 490668246 /nfs/dbraw/zinc/66/82/46/490668246.db2.gz SULGSCFRAHIEBR-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000550582201 490678268 /nfs/dbraw/zinc/67/82/68/490678268.db2.gz OKVSLFHTYHQQQC-HZPDHXFCSA-N 2 1 370.538 0.837 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000550582201 490678271 /nfs/dbraw/zinc/67/82/71/490678271.db2.gz OKVSLFHTYHQQQC-HZPDHXFCSA-N 2 1 370.538 0.837 20 0 FCADMP COCC[NH+](CCOC)C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000512802297 490699750 /nfs/dbraw/zinc/69/97/50/490699750.db2.gz SDRDOFCNBZWTFD-UHFFFAOYSA-N 2 1 357.495 0.295 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168944 490699806 /nfs/dbraw/zinc/69/98/06/490699806.db2.gz WRYFIMVIGIQNJD-CZUORRHYSA-N 2 1 368.503 0.663 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103743 491348698 /nfs/dbraw/zinc/34/86/98/491348698.db2.gz FDOVLMLRHZQJCX-YJBOKZPZSA-N 2 1 358.486 0.739 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487671686 490724488 /nfs/dbraw/zinc/72/44/88/490724488.db2.gz GRQDWROGCIWXCC-IAGOWNOFSA-N 2 1 356.511 0.632 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487710394 490727196 /nfs/dbraw/zinc/72/71/96/490727196.db2.gz QPLJBGLRWZWKOU-TXTZMMAHSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487710394 490727198 /nfs/dbraw/zinc/72/71/98/490727198.db2.gz QPLJBGLRWZWKOU-TXTZMMAHSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487710394 490727201 /nfs/dbraw/zinc/72/72/01/490727201.db2.gz QPLJBGLRWZWKOU-TXTZMMAHSA-N 2 1 366.550 0.981 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469516 490732119 /nfs/dbraw/zinc/73/21/19/490732119.db2.gz PYBCPOYWUYROSK-LSDHHAIUSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469516 490732123 /nfs/dbraw/zinc/73/21/23/490732123.db2.gz PYBCPOYWUYROSK-LSDHHAIUSA-N 2 1 370.538 0.383 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000503004841 490735310 /nfs/dbraw/zinc/73/53/10/490735310.db2.gz WRQASZKJIDUJGQ-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP CC[N@@H+](CCOCCO)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000503411867 490754473 /nfs/dbraw/zinc/75/44/73/490754473.db2.gz RLFTYJZNNZMYFW-UHFFFAOYSA-N 2 1 350.463 0.451 20 0 FCADMP Cc1cc2ncn(C[C@H](O)C[NH2+]CCC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000514788548 490788188 /nfs/dbraw/zinc/78/81/88/490788188.db2.gz KLXSBQZHHBEWAN-QGZVFWFLSA-N 2 1 373.501 0.768 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000515085090 490808148 /nfs/dbraw/zinc/80/81/48/490808148.db2.gz QZOXCXBOGPNZTB-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000515085090 490808151 /nfs/dbraw/zinc/80/81/51/490808151.db2.gz QZOXCXBOGPNZTB-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000515085090 490808154 /nfs/dbraw/zinc/80/81/54/490808154.db2.gz QZOXCXBOGPNZTB-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000515085090 490808156 /nfs/dbraw/zinc/80/81/56/490808156.db2.gz QZOXCXBOGPNZTB-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCN1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC000565194384 491359005 /nfs/dbraw/zinc/35/90/05/491359005.db2.gz HKYQAIQFLGZJBH-IBGZPJMESA-N 2 1 352.523 0.366 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC000565194384 491359007 /nfs/dbraw/zinc/35/90/07/491359007.db2.gz HKYQAIQFLGZJBH-IBGZPJMESA-N 3 1 352.523 0.366 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000540244152 490811306 /nfs/dbraw/zinc/81/13/06/490811306.db2.gz KNCXNVAUWVXKRN-HUUCEWRRSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000540325353 490817596 /nfs/dbraw/zinc/81/75/96/490817596.db2.gz CTTSREDVARWDSK-YOEHRIQHSA-N 2 1 372.535 0.703 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000540325353 490817599 /nfs/dbraw/zinc/81/75/99/490817599.db2.gz CTTSREDVARWDSK-YOEHRIQHSA-N 2 1 372.535 0.703 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC000565194384 491359009 /nfs/dbraw/zinc/35/90/09/491359009.db2.gz HKYQAIQFLGZJBH-IBGZPJMESA-N 3 1 352.523 0.366 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000515471504 490827405 /nfs/dbraw/zinc/82/74/05/490827405.db2.gz HPHZJCYRHMQJFW-UHFFFAOYSA-N 2 1 369.554 0.408 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000540561924 490828310 /nfs/dbraw/zinc/82/83/10/490828310.db2.gz DPOSJGNRBNQZJS-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(CC[NH3+])CC2)c(=O)n(C)c1=O ZINC000515490844 490828913 /nfs/dbraw/zinc/82/89/13/490828913.db2.gz USDULWIOWBADHG-UHFFFAOYSA-N 2 1 365.478 0.029 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000557184625 491358636 /nfs/dbraw/zinc/35/86/36/491358636.db2.gz WITUNBJFEMCXDT-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000515661574 490835047 /nfs/dbraw/zinc/83/50/47/490835047.db2.gz GMWXOMDTPVSOMO-HNNXBMFYSA-N 2 1 366.506 0.286 20 0 FCADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557237401 491360995 /nfs/dbraw/zinc/36/09/95/491360995.db2.gz QXUGOJDTENBZRD-VNTMZGSJSA-N 2 1 369.513 0.806 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529309049 490849335 /nfs/dbraw/zinc/84/93/35/490849335.db2.gz YHAJKTVUQRHQEV-IAGOWNOFSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000541243392 490856004 /nfs/dbraw/zinc/85/60/04/490856004.db2.gz GSSYNPHEDIUMHB-QRVBRYPASA-N 2 1 366.550 0.972 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000516207927 490857087 /nfs/dbraw/zinc/85/70/87/490857087.db2.gz FZTPOHZFKPMFDY-UHFFFAOYSA-N 2 1 367.475 0.198 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000516260827 490858405 /nfs/dbraw/zinc/85/84/05/490858405.db2.gz DEMVJALUDYXIFT-KRWDZBQOSA-N 2 1 359.474 0.611 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000516283839 490859576 /nfs/dbraw/zinc/85/95/76/490859576.db2.gz MCZACORTZIERLM-SFHVURJKSA-N 2 1 374.485 0.758 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000516283838 490859606 /nfs/dbraw/zinc/85/96/06/490859606.db2.gz MCZACORTZIERLM-GOSISDBHSA-N 2 1 374.485 0.758 20 0 FCADMP C[C@]1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC[NH2+]C1 ZINC000516294305 490859701 /nfs/dbraw/zinc/85/97/01/490859701.db2.gz UJTXPNVJSIYHOD-LPHOPBHVSA-N 2 1 366.506 0.206 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234148 491362784 /nfs/dbraw/zinc/36/27/84/491362784.db2.gz QXUZNDFUJDXKTI-KGLIPLIRSA-N 2 1 355.398 0.549 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234148 491362787 /nfs/dbraw/zinc/36/27/87/491362787.db2.gz QXUZNDFUJDXKTI-KGLIPLIRSA-N 2 1 355.398 0.549 20 0 FCADMP Cc1noc(C2(C)CC[NH+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)n1 ZINC000541896600 490877021 /nfs/dbraw/zinc/87/70/21/490877021.db2.gz SGQTXRFKVOLMRE-CQSZACIVSA-N 2 1 363.462 0.811 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784432 490878153 /nfs/dbraw/zinc/87/81/53/490878153.db2.gz QHIIFAGOYMACOL-JKSUJKDBSA-N 2 1 374.489 0.391 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784432 490878154 /nfs/dbraw/zinc/87/81/54/490878154.db2.gz QHIIFAGOYMACOL-JKSUJKDBSA-N 2 1 374.489 0.391 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000516857398 490881086 /nfs/dbraw/zinc/88/10/86/490881086.db2.gz GPCJNYSORMSXGF-FQEVSTJZSA-N 2 1 356.470 0.589 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542168663 490888052 /nfs/dbraw/zinc/88/80/52/490888052.db2.gz STXZBZNFVDBTLP-HTUJPFKRSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC000572274722 491360255 /nfs/dbraw/zinc/36/02/55/491360255.db2.gz LMNCHZOZNRMDDN-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000542607719 490901573 /nfs/dbraw/zinc/90/15/73/490901573.db2.gz MAGFZMREMVKLIA-MSOLQXFVSA-N 2 1 353.555 0.497 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000542607719 490901576 /nfs/dbraw/zinc/90/15/76/490901576.db2.gz MAGFZMREMVKLIA-MSOLQXFVSA-N 3 1 353.555 0.497 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000542607719 490901579 /nfs/dbraw/zinc/90/15/79/490901579.db2.gz MAGFZMREMVKLIA-MSOLQXFVSA-N 3 1 353.555 0.497 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542659336 490903500 /nfs/dbraw/zinc/90/35/00/490903500.db2.gz KUYKKYXMWSWVTA-SQNIBIBYSA-N 2 1 354.539 0.876 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542659336 490903502 /nfs/dbraw/zinc/90/35/02/490903502.db2.gz KUYKKYXMWSWVTA-SQNIBIBYSA-N 2 1 354.539 0.876 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000530430168 490905454 /nfs/dbraw/zinc/90/54/54/490905454.db2.gz IIZFPXRCRTUZQM-ZDUSSCGKSA-N 2 1 357.524 0.682 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(=O)NCC(F)(F)F)CC1 ZINC000542791028 490909533 /nfs/dbraw/zinc/90/95/33/490909533.db2.gz PRFFODKCGYCWPC-UHFFFAOYSA-N 2 1 359.352 0.841 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000517556367 490911747 /nfs/dbraw/zinc/91/17/47/490911747.db2.gz JUDLTYSWOAXLRK-HNNXBMFYSA-N 2 1 360.458 0.661 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000530710710 490920207 /nfs/dbraw/zinc/92/02/07/490920207.db2.gz JWCMGWJBFQTGCH-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000530710710 490920210 /nfs/dbraw/zinc/92/02/10/490920210.db2.gz JWCMGWJBFQTGCH-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000517968740 490926646 /nfs/dbraw/zinc/92/66/46/490926646.db2.gz HNQQAXJXCMKZLD-QYZOEREBSA-N 2 1 372.513 0.971 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000530818692 490927080 /nfs/dbraw/zinc/92/70/80/490927080.db2.gz ZKMFPGPDIDCMCU-UHFFFAOYSA-N 2 1 352.523 0.775 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000557288880 491365270 /nfs/dbraw/zinc/36/52/70/491365270.db2.gz ROJNKOOMRBUYEC-NJAFHUGGSA-N 2 1 358.486 0.820 20 0 FCADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394770 490939426 /nfs/dbraw/zinc/93/94/26/490939426.db2.gz YMOWPZXCTIVNSZ-ZWKOTPCHSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394770 490939428 /nfs/dbraw/zinc/93/94/28/490939428.db2.gz YMOWPZXCTIVNSZ-ZWKOTPCHSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394770 490939429 /nfs/dbraw/zinc/93/94/29/490939429.db2.gz YMOWPZXCTIVNSZ-ZWKOTPCHSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394770 490939431 /nfs/dbraw/zinc/93/94/31/490939431.db2.gz YMOWPZXCTIVNSZ-ZWKOTPCHSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000518443090 490941891 /nfs/dbraw/zinc/94/18/91/490941891.db2.gz FRNZZYAQVXLOCC-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000543696338 490941918 /nfs/dbraw/zinc/94/19/18/490941918.db2.gz ORJZKTFJWGSTPD-MRXNPFEDSA-N 2 1 367.538 0.995 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000518443090 490941894 /nfs/dbraw/zinc/94/18/94/490941894.db2.gz FRNZZYAQVXLOCC-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000518443090 490941897 /nfs/dbraw/zinc/94/18/97/490941897.db2.gz FRNZZYAQVXLOCC-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000543751228 490944562 /nfs/dbraw/zinc/94/45/62/490944562.db2.gz GYSQILCLFLWYKY-MRXNPFEDSA-N 2 1 363.506 0.586 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)CC[C@H]21 ZINC000518960825 490957098 /nfs/dbraw/zinc/95/70/98/490957098.db2.gz VVTBPKUWMDPPPG-XMTFNYHQSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000531484731 490960407 /nfs/dbraw/zinc/96/04/07/490960407.db2.gz JCTSGPSCGJSJKV-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000519226585 490965838 /nfs/dbraw/zinc/96/58/38/490965838.db2.gz PGDRDLIGXNKFQI-LSDHHAIUSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000519226585 490965840 /nfs/dbraw/zinc/96/58/40/490965840.db2.gz PGDRDLIGXNKFQI-LSDHHAIUSA-N 2 1 364.490 0.051 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544492960 490969832 /nfs/dbraw/zinc/96/98/32/490969832.db2.gz PYCGVOWYPQIBSH-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(=O)n(C)c1=O ZINC000519401698 490970896 /nfs/dbraw/zinc/97/08/96/490970896.db2.gz AFXIPIRITFOZDA-GFCCVEGCSA-N 2 1 365.478 0.027 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)CC1 ZINC000532343158 490991389 /nfs/dbraw/zinc/99/13/89/490991389.db2.gz GHRXANXEVBJZGD-MSOLQXFVSA-N 2 1 351.539 0.249 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000562462416 491167665 /nfs/dbraw/zinc/16/76/65/491167665.db2.gz OHZCSMUOAISXRT-UHFFFAOYSA-N 3 1 356.559 0.147 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569560167 491168048 /nfs/dbraw/zinc/16/80/48/491168048.db2.gz NSEAFIJCZHLFFG-HDICACEKSA-N 2 1 358.486 0.693 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000562662293 491179446 /nfs/dbraw/zinc/17/94/46/491179446.db2.gz JECKHGMEPVXYBI-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557381307 491371858 /nfs/dbraw/zinc/37/18/58/491371858.db2.gz JPMSFULZKRRLBB-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557381307 491371860 /nfs/dbraw/zinc/37/18/60/491371860.db2.gz JPMSFULZKRRLBB-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000557381307 491371862 /nfs/dbraw/zinc/37/18/62/491371862.db2.gz JPMSFULZKRRLBB-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000557381307 491371863 /nfs/dbraw/zinc/37/18/63/491371863.db2.gz JPMSFULZKRRLBB-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000572554968 491378323 /nfs/dbraw/zinc/37/83/23/491378323.db2.gz LTAYSQACVMFXKQ-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355902 493339158 /nfs/dbraw/zinc/33/91/58/493339158.db2.gz FCKMZIUESDXLEF-UONOGXRCSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355902 493339162 /nfs/dbraw/zinc/33/91/62/493339162.db2.gz FCKMZIUESDXLEF-UONOGXRCSA-N 2 1 350.463 0.988 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC1 ZINC000565617788 491389545 /nfs/dbraw/zinc/38/95/45/491389545.db2.gz PYCUKCAQXPIHDN-ALOPSCKCSA-N 2 1 365.522 0.807 20 0 FCADMP CC[NH+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000565617788 491389547 /nfs/dbraw/zinc/38/95/47/491389547.db2.gz PYCUKCAQXPIHDN-ALOPSCKCSA-N 2 1 365.522 0.807 20 0 FCADMP CC[NH+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000565617788 491389549 /nfs/dbraw/zinc/38/95/49/491389549.db2.gz PYCUKCAQXPIHDN-ALOPSCKCSA-N 2 1 365.522 0.807 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1C ZINC000557748368 491395788 /nfs/dbraw/zinc/39/57/88/491395788.db2.gz JUQASJMVSYMTDZ-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000557748368 491395791 /nfs/dbraw/zinc/39/57/91/491395791.db2.gz JUQASJMVSYMTDZ-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748368 491395793 /nfs/dbraw/zinc/39/57/93/491395793.db2.gz JUQASJMVSYMTDZ-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748368 491395796 /nfs/dbraw/zinc/39/57/96/491395796.db2.gz JUQASJMVSYMTDZ-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000565754110 491397611 /nfs/dbraw/zinc/39/76/11/491397611.db2.gz VKLJMMNGRHGRII-FHWLQOOXSA-N 2 1 356.555 0.416 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000572862474 491398482 /nfs/dbraw/zinc/39/84/82/491398482.db2.gz HXGSZWQZZFLICY-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1C ZINC000558052524 491410761 /nfs/dbraw/zinc/41/07/61/491410761.db2.gz JBCTZXMIWARHGP-UHFFFAOYSA-N 2 1 364.494 0.435 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1C ZINC000558052524 491410764 /nfs/dbraw/zinc/41/07/64/491410764.db2.gz JBCTZXMIWARHGP-UHFFFAOYSA-N 2 1 364.494 0.435 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000566197814 491425026 /nfs/dbraw/zinc/42/50/26/491425026.db2.gz QOWUUZHDOYMKSI-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244174 491429956 /nfs/dbraw/zinc/42/99/56/491429956.db2.gz DBNSWYGNEDVJTQ-MUGJNUQGSA-N 3 1 374.529 0.498 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244174 491429958 /nfs/dbraw/zinc/42/99/58/491429958.db2.gz DBNSWYGNEDVJTQ-MUGJNUQGSA-N 2 1 374.529 0.498 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000573429823 491432661 /nfs/dbraw/zinc/43/26/61/491432661.db2.gz GQYRYCKYONOZSU-DBWAAGBOSA-N 2 1 350.507 0.665 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000573570223 491441044 /nfs/dbraw/zinc/44/10/44/491441044.db2.gz MLIKIXQHNRTCIA-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000573630536 491445283 /nfs/dbraw/zinc/44/52/83/491445283.db2.gz UTHQVDHTBAXYRC-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496658 491448902 /nfs/dbraw/zinc/44/89/02/491448902.db2.gz SVBWJLNCKSTAKR-KSZLIROESA-N 2 1 374.460 0.951 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496658 491448904 /nfs/dbraw/zinc/44/89/04/491448904.db2.gz SVBWJLNCKSTAKR-KSZLIROESA-N 2 1 374.460 0.951 20 0 FCADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983280 491450335 /nfs/dbraw/zinc/45/03/35/491450335.db2.gz FHSSJHLCZRMRDQ-GVDBMIGSSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983280 491450336 /nfs/dbraw/zinc/45/03/36/491450336.db2.gz FHSSJHLCZRMRDQ-GVDBMIGSSA-N 2 1 365.522 0.522 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566562119 491453309 /nfs/dbraw/zinc/45/33/09/491453309.db2.gz HQMCQXVBBWLLSI-FHWLQOOXSA-N 3 1 360.502 0.061 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000573806390 491455943 /nfs/dbraw/zinc/45/59/43/491455943.db2.gz FDUFCVTYRZLLFE-AZUAARDMSA-N 2 1 371.529 0.609 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000573806390 491455944 /nfs/dbraw/zinc/45/59/44/491455944.db2.gz FDUFCVTYRZLLFE-AZUAARDMSA-N 2 1 371.529 0.609 20 0 FCADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000566618209 491456326 /nfs/dbraw/zinc/45/63/26/491456326.db2.gz YJPRHIDAXOHOEC-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000566618209 491456327 /nfs/dbraw/zinc/45/63/27/491456327.db2.gz YJPRHIDAXOHOEC-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000566618209 491456329 /nfs/dbraw/zinc/45/63/29/491456329.db2.gz YJPRHIDAXOHOEC-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000566751488 491464635 /nfs/dbraw/zinc/46/46/35/491464635.db2.gz UBOMBHLHWLOLEN-YQQAZPJKSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000566751488 491464637 /nfs/dbraw/zinc/46/46/37/491464637.db2.gz UBOMBHLHWLOLEN-YQQAZPJKSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000566751488 491464640 /nfs/dbraw/zinc/46/46/40/491464640.db2.gz UBOMBHLHWLOLEN-YQQAZPJKSA-N 2 1 366.506 0.201 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000559329078 491465195 /nfs/dbraw/zinc/46/51/95/491465195.db2.gz QFYNSHXCVZWGLS-QGZVFWFLSA-N 2 1 366.506 0.302 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000559360640 491467113 /nfs/dbraw/zinc/46/71/13/491467113.db2.gz MKIHDHOUSYUMDZ-GJZGRUSLSA-N 2 1 350.463 0.797 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000559364098 491467656 /nfs/dbraw/zinc/46/76/56/491467656.db2.gz ORLNYFGWXWQNAI-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000559379485 491468279 /nfs/dbraw/zinc/46/82/79/491468279.db2.gz NWWYGOJXIVGKQI-INIZCTEOSA-N 2 1 356.511 0.306 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000559463716 491475406 /nfs/dbraw/zinc/47/54/06/491475406.db2.gz LVFQGGNSVAKJOP-QGZVFWFLSA-N 2 1 366.506 0.159 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)CC1 ZINC000559461145 491475428 /nfs/dbraw/zinc/47/54/28/491475428.db2.gz SNOITHMMUQQKRT-WBVHZDCISA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)CC1 ZINC000559461145 491475430 /nfs/dbraw/zinc/47/54/30/491475430.db2.gz SNOITHMMUQQKRT-WBVHZDCISA-N 2 1 368.522 0.281 20 0 FCADMP CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484629 /nfs/dbraw/zinc/48/46/29/491484629.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 2 1 361.490 0.038 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000567095704 491485295 /nfs/dbraw/zinc/48/52/95/491485295.db2.gz VCJHAVBJOVOHMN-KRWDZBQOSA-N 2 1 373.501 0.873 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000567098969 491485735 /nfs/dbraw/zinc/48/57/35/491485735.db2.gz JBYFKLYYUSHHHY-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000567098969 491485738 /nfs/dbraw/zinc/48/57/38/491485738.db2.gz JBYFKLYYUSHHHY-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000567098969 491485740 /nfs/dbraw/zinc/48/57/40/491485740.db2.gz JBYFKLYYUSHHHY-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000567098969 491485743 /nfs/dbraw/zinc/48/57/43/491485743.db2.gz JBYFKLYYUSHHHY-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567163902 491489522 /nfs/dbraw/zinc/48/95/22/491489522.db2.gz GOHASUCKTAXXHU-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000567194298 491491702 /nfs/dbraw/zinc/49/17/02/491491702.db2.gz RQKKACOBIYYQEQ-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000567207299 491492103 /nfs/dbraw/zinc/49/21/03/491492103.db2.gz KPMSYAJFVHPAAL-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000559761268 491497016 /nfs/dbraw/zinc/49/70/16/491497016.db2.gz AFGBVJYNQXHDQD-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000559761268 491497017 /nfs/dbraw/zinc/49/70/17/491497017.db2.gz AFGBVJYNQXHDQD-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567387044 491503310 /nfs/dbraw/zinc/50/33/10/491503310.db2.gz ZBVBQPYFKZUDEK-HUUCEWRRSA-N 2 1 353.488 0.857 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567387044 491503312 /nfs/dbraw/zinc/50/33/12/491503312.db2.gz ZBVBQPYFKZUDEK-HUUCEWRRSA-N 2 1 353.488 0.857 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000559862368 491505601 /nfs/dbraw/zinc/50/56/01/491505601.db2.gz LBEFEVPMQJYJRN-QAPCUYQASA-N 2 1 370.563 0.730 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000559866875 491506140 /nfs/dbraw/zinc/50/61/40/491506140.db2.gz GDSVPDMMPKYRNT-RDTXWAMCSA-N 2 1 370.563 0.777 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCSC1 ZINC000559866446 491506417 /nfs/dbraw/zinc/50/64/17/491506417.db2.gz ZHBDUZCQRILEDT-QGZVFWFLSA-N 2 1 354.520 0.237 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000574753199 491518121 /nfs/dbraw/zinc/51/81/21/491518121.db2.gz JMXUVKCOEFYZSH-JKSUJKDBSA-N 2 1 350.463 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000560299052 491529291 /nfs/dbraw/zinc/52/92/91/491529291.db2.gz FWULLZQOHOEITF-OAHLLOKOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000683378252 493348713 /nfs/dbraw/zinc/34/87/13/493348713.db2.gz JXOIURGPULZEND-QZTJIDSGSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000683378252 493348714 /nfs/dbraw/zinc/34/87/14/493348714.db2.gz JXOIURGPULZEND-QZTJIDSGSA-N 2 1 368.522 0.994 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583035 493348745 /nfs/dbraw/zinc/34/87/45/493348745.db2.gz KMOIVCGKNIUJDM-SJORKVTESA-N 2 1 366.506 0.035 20 0 FCADMP COc1ccc(COC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000575039767 491535234 /nfs/dbraw/zinc/53/52/34/491535234.db2.gz CYYINNLDDGLVGU-QGZVFWFLSA-N 2 1 365.474 0.326 20 0 FCADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567870532 491536383 /nfs/dbraw/zinc/53/63/83/491536383.db2.gz GBSXBUSNMAVWJV-MRXNPFEDSA-N 2 1 363.506 0.752 20 0 FCADMP COC[C@]1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCC[NH2+]1 ZINC000567872113 491536497 /nfs/dbraw/zinc/53/64/97/491536497.db2.gz HWQVEDBEARSSNF-CRAIPNDOSA-N 2 1 354.495 0.650 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000575203887 491545345 /nfs/dbraw/zinc/54/53/45/491545345.db2.gz HJLDEVNVVWXFEV-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000575203887 491545346 /nfs/dbraw/zinc/54/53/46/491545346.db2.gz HJLDEVNVVWXFEV-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000575203887 491545348 /nfs/dbraw/zinc/54/53/48/491545348.db2.gz HJLDEVNVVWXFEV-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000575200713 491545455 /nfs/dbraw/zinc/54/54/55/491545455.db2.gz IALBSYIXUXNPLY-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000568075789 491552135 /nfs/dbraw/zinc/55/21/35/491552135.db2.gz HKIABCDYQPZTLW-KRWDZBQOSA-N 2 1 369.535 0.778 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000568105739 491553865 /nfs/dbraw/zinc/55/38/65/491553865.db2.gz UKBODYWJDCBIBY-QGZVFWFLSA-N 2 1 368.522 0.309 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000568252671 491562668 /nfs/dbraw/zinc/56/26/68/491562668.db2.gz DOYUFBGOZLMGIE-YESZJQIVSA-N 2 1 371.485 0.624 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000561145285 491578670 /nfs/dbraw/zinc/57/86/70/491578670.db2.gz DHJINWFCOZFNSN-HNNXBMFYSA-N 2 1 369.535 0.572 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561148421 491578762 /nfs/dbraw/zinc/57/87/62/491578762.db2.gz YTJBQJJMAKPMPQ-OALUTQOASA-N 2 1 357.502 0.950 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000561173491 491580281 /nfs/dbraw/zinc/58/02/81/491580281.db2.gz ZPMOOLAHFZSPBF-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000561173491 491580282 /nfs/dbraw/zinc/58/02/82/491580282.db2.gz ZPMOOLAHFZSPBF-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568522798 491583171 /nfs/dbraw/zinc/58/31/71/491583171.db2.gz CVZKPLNUFDAYRI-UHFFFAOYSA-N 2 1 367.538 0.058 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568522798 491583172 /nfs/dbraw/zinc/58/31/72/491583172.db2.gz CVZKPLNUFDAYRI-UHFFFAOYSA-N 2 1 367.538 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425253 491590321 /nfs/dbraw/zinc/59/03/21/491590321.db2.gz ONERPFWIXPHBLW-CVEARBPZSA-N 2 1 350.507 0.825 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673656310 493353525 /nfs/dbraw/zinc/35/35/25/493353525.db2.gz JNOCYHJHIGLVSV-AEFFLSMTSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673656310 493353528 /nfs/dbraw/zinc/35/35/28/493353528.db2.gz JNOCYHJHIGLVSV-AEFFLSMTSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000673656310 493353530 /nfs/dbraw/zinc/35/35/30/493353530.db2.gz JNOCYHJHIGLVSV-AEFFLSMTSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000673656310 493353534 /nfs/dbraw/zinc/35/35/34/493353534.db2.gz JNOCYHJHIGLVSV-AEFFLSMTSA-N 2 1 373.501 0.750 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000576222893 491594263 /nfs/dbraw/zinc/59/42/63/491594263.db2.gz AMYALGAHPYFXGS-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000576222893 491594265 /nfs/dbraw/zinc/59/42/65/491594265.db2.gz AMYALGAHPYFXGS-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CO[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000568631748 491594759 /nfs/dbraw/zinc/59/47/59/491594759.db2.gz WRJXTOAAWWLBKD-HNNXBMFYSA-N 2 1 368.409 0.399 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[NH+]1CCOCC1 ZINC000568735929 491604858 /nfs/dbraw/zinc/60/48/58/491604858.db2.gz SMUPRUHKWNXXTO-DLBZAZTESA-N 2 1 368.522 0.740 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(COC)C(=O)OC)CC2)CC1 ZINC000577230192 491605041 /nfs/dbraw/zinc/60/50/41/491605041.db2.gz JHWCFJGRASHMMX-LJQANCHMSA-N 2 1 369.506 0.877 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000561400978 491605244 /nfs/dbraw/zinc/60/52/44/491605244.db2.gz GUHOBGPALDJPMW-INIZCTEOSA-N 2 1 366.510 1.457 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238522 491605896 /nfs/dbraw/zinc/60/58/96/491605896.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000577238522 491605899 /nfs/dbraw/zinc/60/58/99/491605899.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000577238522 491605900 /nfs/dbraw/zinc/60/59/00/491605900.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238522 491605902 /nfs/dbraw/zinc/60/59/02/491605902.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238522 491605906 /nfs/dbraw/zinc/60/59/06/491605906.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000568766660 491607723 /nfs/dbraw/zinc/60/77/23/491607723.db2.gz DPJVDDYGEQGLOA-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000577280946 491609451 /nfs/dbraw/zinc/60/94/51/491609451.db2.gz DGCRUVISQLLJKT-SJORKVTESA-N 2 1 366.506 0.348 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000568801103 491610903 /nfs/dbraw/zinc/61/09/03/491610903.db2.gz QOWALJUMKDHWSG-MRXNPFEDSA-N 2 1 370.563 0.778 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000568801103 491610906 /nfs/dbraw/zinc/61/09/06/491610906.db2.gz QOWALJUMKDHWSG-MRXNPFEDSA-N 2 1 370.563 0.778 20 0 FCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000577374689 491616562 /nfs/dbraw/zinc/61/65/62/491616562.db2.gz HFWRTPJXANSHGZ-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CCCC1 ZINC000561652456 491622901 /nfs/dbraw/zinc/62/29/01/491622901.db2.gz KQDUKUPZVRMEGE-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000561674748 491624054 /nfs/dbraw/zinc/62/40/54/491624054.db2.gz GFNOLQPMJIVIOP-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP O=C1C[C@]2(CN1)CCC[NH+](CCCC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000577595220 491634349 /nfs/dbraw/zinc/63/43/49/491634349.db2.gz DBWMTIPSOVZWNA-PMACEKPBSA-N 2 1 362.518 0.971 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620525 491636740 /nfs/dbraw/zinc/63/67/40/491636740.db2.gz QMQLTJHLECXQRA-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000577620525 491636742 /nfs/dbraw/zinc/63/67/42/491636742.db2.gz QMQLTJHLECXQRA-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000577620525 491636745 /nfs/dbraw/zinc/63/67/45/491636745.db2.gz QMQLTJHLECXQRA-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652019 491640024 /nfs/dbraw/zinc/64/00/24/491640024.db2.gz YYXVDGPLDJYKDP-BRWVUGGUSA-N 2 1 360.433 0.561 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652019 491640025 /nfs/dbraw/zinc/64/00/25/491640025.db2.gz YYXVDGPLDJYKDP-BRWVUGGUSA-N 2 1 360.433 0.561 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569204500 491641449 /nfs/dbraw/zinc/64/14/49/491641449.db2.gz UABYBODYHJZHKM-XHDPSFHLSA-N 2 1 368.840 0.676 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000576855605 491651267 /nfs/dbraw/zinc/65/12/67/491651267.db2.gz ITDGAASJDCZVIZ-INIZCTEOSA-N 2 1 365.478 0.542 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798402 491652955 /nfs/dbraw/zinc/65/29/55/491652955.db2.gz PCGHDFSDBOKENK-WMLDXEAASA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000577842194 491656256 /nfs/dbraw/zinc/65/62/56/491656256.db2.gz MOEUAMCHKMZUBA-HNNXBMFYSA-N 2 1 374.485 0.259 20 0 FCADMP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000577851220 491656517 /nfs/dbraw/zinc/65/65/17/491656517.db2.gz GGRNPOTXJCHTDF-QAETUUGQSA-N 2 1 371.547 0.732 20 0 FCADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000577851220 491656519 /nfs/dbraw/zinc/65/65/19/491656519.db2.gz GGRNPOTXJCHTDF-QAETUUGQSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000576966441 491661160 /nfs/dbraw/zinc/66/11/60/491661160.db2.gz BWSPPWIKKSUQPZ-KBAYOESNSA-N 2 1 374.485 0.212 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000576966441 491661163 /nfs/dbraw/zinc/66/11/63/491661163.db2.gz BWSPPWIKKSUQPZ-KBAYOESNSA-N 2 1 374.485 0.212 20 0 FCADMP CS(=O)(=O)C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458507 491663464 /nfs/dbraw/zinc/66/34/64/491663464.db2.gz MBQQZNXWSAIJTI-HOCLYGCPSA-N 2 1 369.531 0.629 20 0 FCADMP CCn1ccnc1C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000569459020 491663629 /nfs/dbraw/zinc/66/36/29/491663629.db2.gz RFKDAYCSVWVFRK-KRWDZBQOSA-N 3 1 374.533 0.669 20 0 FCADMP CCn1ccnc1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000569459020 491663632 /nfs/dbraw/zinc/66/36/32/491663632.db2.gz RFKDAYCSVWVFRK-KRWDZBQOSA-N 3 1 374.533 0.669 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000578000024 491667248 /nfs/dbraw/zinc/66/72/48/491667248.db2.gz NTBBJKOCBFUEPC-UHFFFAOYSA-N 2 1 367.538 0.118 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000578213962 491672294 /nfs/dbraw/zinc/67/22/94/491672294.db2.gz GGFLGNURWDXSEB-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000578213962 491672295 /nfs/dbraw/zinc/67/22/95/491672295.db2.gz GGFLGNURWDXSEB-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000578340911 491675092 /nfs/dbraw/zinc/67/50/92/491675092.db2.gz NBQHIVNKHYYAEG-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000578340911 491675093 /nfs/dbraw/zinc/67/50/93/491675093.db2.gz NBQHIVNKHYYAEG-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000578476006 491678048 /nfs/dbraw/zinc/67/80/48/491678048.db2.gz SPBAPQNSPZCAKO-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000579091399 491690733 /nfs/dbraw/zinc/69/07/33/491690733.db2.gz SPJBEEQHVFFSMG-RTBURBONSA-N 2 1 374.533 0.981 20 0 FCADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359989 491696333 /nfs/dbraw/zinc/69/63/33/491696333.db2.gz YYNQVNMJMIPGBH-ROUUACIJSA-N 2 1 372.517 0.979 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000579619562 491702001 /nfs/dbraw/zinc/70/20/01/491702001.db2.gz UUKNXUKFYCBAEP-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000579619562 491702002 /nfs/dbraw/zinc/70/20/02/491702002.db2.gz UUKNXUKFYCBAEP-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000579619562 491702003 /nfs/dbraw/zinc/70/20/03/491702003.db2.gz UUKNXUKFYCBAEP-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000579684098 491702810 /nfs/dbraw/zinc/70/28/10/491702810.db2.gz PJDVXCJALDTMDO-PMPSAXMXSA-N 2 1 361.490 0.845 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855916 491706993 /nfs/dbraw/zinc/70/69/93/491706993.db2.gz HEYNJGDMMLGCCQ-ZWKOTPCHSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000579931228 491709840 /nfs/dbraw/zinc/70/98/40/491709840.db2.gz UTFGYXMIEMSUOL-IRXDYDNUSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936420 491710044 /nfs/dbraw/zinc/71/00/44/491710044.db2.gz NGIXQMDAILKGTJ-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936420 491710045 /nfs/dbraw/zinc/71/00/45/491710045.db2.gz NGIXQMDAILKGTJ-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580414414 491730089 /nfs/dbraw/zinc/73/00/89/491730089.db2.gz SSQMIMDIULFRAF-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758593 491731522 /nfs/dbraw/zinc/73/15/22/491731522.db2.gz FTCWHWVFYQIUPS-KRWDZBQOSA-N 2 1 361.490 0.686 20 0 FCADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000580533513 491734968 /nfs/dbraw/zinc/73/49/68/491734968.db2.gz VDODROFUVLPJDN-DLBZAZTESA-N 2 1 365.522 0.001 20 0 FCADMP O=C(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)NCC[NH+]1CCCCCC1 ZINC000580613196 491738794 /nfs/dbraw/zinc/73/87/94/491738794.db2.gz ZQIDZCXWMKZWJZ-IRXDYDNUSA-N 2 1 365.522 0.905 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580639662 491739746 /nfs/dbraw/zinc/73/97/46/491739746.db2.gz QBLLEWNVCBGDHW-OAQYLSRUSA-N 2 1 370.497 0.933 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000581149029 491761355 /nfs/dbraw/zinc/76/13/55/491761355.db2.gz RIJLRSXNCXJIAS-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000581150305 491761481 /nfs/dbraw/zinc/76/14/81/491761481.db2.gz STTMZFGRSFDVEX-MUJYYYPQSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000581150305 491761483 /nfs/dbraw/zinc/76/14/83/491761483.db2.gz STTMZFGRSFDVEX-MUJYYYPQSA-N 2 1 368.522 0.543 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000581370133 491770296 /nfs/dbraw/zinc/77/02/96/491770296.db2.gz KMXNYBVWDPPLHG-UHOFOFEASA-N 2 1 366.487 0.722 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000581381675 491770874 /nfs/dbraw/zinc/77/08/74/491770874.db2.gz UTZHJPCMYFEYCH-PBHICJAKSA-N 2 1 360.458 0.002 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000581381675 491770875 /nfs/dbraw/zinc/77/08/75/491770875.db2.gz UTZHJPCMYFEYCH-PBHICJAKSA-N 2 1 360.458 0.002 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000581445864 491773198 /nfs/dbraw/zinc/77/31/98/491773198.db2.gz SKFRLFUVDZPBOW-LSDHHAIUSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)C1=CC[N@@H+](C)CC1 ZINC000581575559 491778512 /nfs/dbraw/zinc/77/85/12/491778512.db2.gz VPWYKSUOKBRRFR-OAHLLOKOSA-N 2 1 362.474 0.936 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000581716704 491783866 /nfs/dbraw/zinc/78/38/66/491783866.db2.gz QERITQCUUOAIPW-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000581716704 491783867 /nfs/dbraw/zinc/78/38/67/491783867.db2.gz QERITQCUUOAIPW-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)CC1 ZINC000581734011 491784637 /nfs/dbraw/zinc/78/46/37/491784637.db2.gz VSNBCEYBKXKTID-UHFFFAOYSA-N 2 1 350.467 0.610 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC000581952624 491792005 /nfs/dbraw/zinc/79/20/05/491792005.db2.gz QCWLSVLSTKGBOP-IBGZPJMESA-N 2 1 367.490 0.631 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000582230925 491803006 /nfs/dbraw/zinc/80/30/06/491803006.db2.gz PJCHPXNEVWJDQZ-WMZOPIPTSA-N 2 1 361.490 0.485 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000591437039 491805886 /nfs/dbraw/zinc/80/58/86/491805886.db2.gz LBDVIRZWEOSESN-QGZVFWFLSA-N 2 1 374.485 0.915 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000591437039 491805888 /nfs/dbraw/zinc/80/58/88/491805888.db2.gz LBDVIRZWEOSESN-QGZVFWFLSA-N 2 1 374.485 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000582354431 491808641 /nfs/dbraw/zinc/80/86/41/491808641.db2.gz KCRUKRDMUOGQGR-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000582354431 491808643 /nfs/dbraw/zinc/80/86/43/491808643.db2.gz KCRUKRDMUOGQGR-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000582562498 491817935 /nfs/dbraw/zinc/81/79/35/491817935.db2.gz BVIIKBMYECCFKP-CQSZACIVSA-N 2 1 373.457 0.092 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCOC)C(=O)OC)CC2)CC1 ZINC000582616794 491820093 /nfs/dbraw/zinc/82/00/93/491820093.db2.gz MVRDALAFKHPJNI-QGZVFWFLSA-N 2 1 369.506 0.877 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668812 491821944 /nfs/dbraw/zinc/82/19/44/491821944.db2.gz MFMRLMFENJMCCJ-FSDCSDTHSA-N 2 1 363.506 0.606 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000582716590 491823544 /nfs/dbraw/zinc/82/35/44/491823544.db2.gz UVYATNFBBSFEFE-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000582716590 491823545 /nfs/dbraw/zinc/82/35/45/491823545.db2.gz UVYATNFBBSFEFE-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914916 491832361 /nfs/dbraw/zinc/83/23/61/491832361.db2.gz HNJWKQCLUHEDLR-FGTMMUONSA-N 2 1 371.485 0.604 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253364 491840902 /nfs/dbraw/zinc/84/09/02/491840902.db2.gz QOZMQHSSSYHGMH-UONOGXRCSA-N 2 1 354.495 0.548 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000583529217 491846827 /nfs/dbraw/zinc/84/68/27/491846827.db2.gz CJADFXPLDFSRNL-CVEARBPZSA-N 2 1 361.490 0.798 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)CN)C1 ZINC000583576554 491847899 /nfs/dbraw/zinc/84/78/99/491847899.db2.gz UUXVLVIWUSJUKS-OAHLLOKOSA-N 2 1 368.428 0.472 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000583576554 491847901 /nfs/dbraw/zinc/84/79/01/491847901.db2.gz UUXVLVIWUSJUKS-OAHLLOKOSA-N 2 1 368.428 0.472 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000583633851 491849073 /nfs/dbraw/zinc/84/90/73/491849073.db2.gz ZFVCTBAJZKDDRG-KRWDZBQOSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)N(C[C@@H](O)C[N@H+](C)CC)CC1(C)C ZINC000583761304 491851402 /nfs/dbraw/zinc/85/14/02/491851402.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@@H](O)C[N@H+](C)CC)C[C@H]1C ZINC000583761304 491851403 /nfs/dbraw/zinc/85/14/03/491851403.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000583761304 491851404 /nfs/dbraw/zinc/85/14/04/491851404.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 2 1 358.571 0.396 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@]3(C1)CCC[N@@H+](C)C3)CC[NH2+]CC2 ZINC000583807771 491852296 /nfs/dbraw/zinc/85/22/96/491852296.db2.gz ZPJRUZYIWJNHEG-OXJNMPFZSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881710 491854013 /nfs/dbraw/zinc/85/40/13/491854013.db2.gz JIWNQYAUZFTTAN-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000583881710 491854014 /nfs/dbraw/zinc/85/40/14/491854014.db2.gz JIWNQYAUZFTTAN-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000583881710 491854015 /nfs/dbraw/zinc/85/40/15/491854015.db2.gz JIWNQYAUZFTTAN-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000584063278 491857782 /nfs/dbraw/zinc/85/77/82/491857782.db2.gz MUYOOJOSXXRFBY-UHFFFAOYSA-N 2 1 351.451 0.589 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000584089436 491858283 /nfs/dbraw/zinc/85/82/83/491858283.db2.gz ANWZEKSNTAJLBL-MRXNPFEDSA-N 2 1 350.507 0.907 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000584099139 491858386 /nfs/dbraw/zinc/85/83/86/491858386.db2.gz CNTNMBDVICTBHN-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1[NH3+] ZINC000584226604 491861072 /nfs/dbraw/zinc/86/10/72/491861072.db2.gz CHUWXHHXDCDIIL-BZZMCLGOSA-N 2 1 356.470 0.525 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000611672617 491866530 /nfs/dbraw/zinc/86/65/30/491866530.db2.gz IFQBDSUALVVZSY-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000611672617 491866532 /nfs/dbraw/zinc/86/65/32/491866532.db2.gz IFQBDSUALVVZSY-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000611757682 491872480 /nfs/dbraw/zinc/87/24/80/491872480.db2.gz HBYLEHBBGAFOCW-HNNXBMFYSA-N 2 1 362.518 0.991 20 0 FCADMP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472256 491924928 /nfs/dbraw/zinc/92/49/28/491924928.db2.gz GDGMNBITSRTPDG-CVEARBPZSA-N 2 1 372.535 0.037 20 0 FCADMP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601472256 491924931 /nfs/dbraw/zinc/92/49/31/491924931.db2.gz GDGMNBITSRTPDG-CVEARBPZSA-N 2 1 372.535 0.037 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000612487216 491925193 /nfs/dbraw/zinc/92/51/93/491925193.db2.gz QRCJEYJHCXLCJA-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000612546921 491932430 /nfs/dbraw/zinc/93/24/30/491932430.db2.gz XANLMNOWUHGXDV-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000612546921 491932431 /nfs/dbraw/zinc/93/24/31/491932431.db2.gz XANLMNOWUHGXDV-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546921 491932432 /nfs/dbraw/zinc/93/24/32/491932432.db2.gz XANLMNOWUHGXDV-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546921 491932433 /nfs/dbraw/zinc/93/24/33/491932433.db2.gz XANLMNOWUHGXDV-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000612547523 491932461 /nfs/dbraw/zinc/93/24/61/491932461.db2.gz FJRQVXWXDLDPAZ-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612592178 491936280 /nfs/dbraw/zinc/93/62/80/491936280.db2.gz NSYYJDCVLJRVQF-CVEARBPZSA-N 2 1 366.506 0.345 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000612780220 491950569 /nfs/dbraw/zinc/95/05/69/491950569.db2.gz FUTKCZTZZVZRHN-UHFFFAOYSA-N 2 1 362.518 0.779 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612918011 491958428 /nfs/dbraw/zinc/95/84/28/491958428.db2.gz ZVXMEDWPVSJVRW-GFCCVEGCSA-N 2 1 371.436 0.302 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000596843674 492002146 /nfs/dbraw/zinc/00/21/46/492002146.db2.gz HSGZPHYTVWHYDF-JKSUJKDBSA-N 2 1 354.495 0.853 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000597430357 492037855 /nfs/dbraw/zinc/03/78/55/492037855.db2.gz KCIVEHUZGHYGFC-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000603907671 492047165 /nfs/dbraw/zinc/04/71/65/492047165.db2.gz NDMKZNNWHMEOPV-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000604632420 492065335 /nfs/dbraw/zinc/06/53/35/492065335.db2.gz LTUFDFDXLNFLJB-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604646563 492065747 /nfs/dbraw/zinc/06/57/47/492065747.db2.gz YTGXBEWKMAPBBD-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000604774482 492071374 /nfs/dbraw/zinc/07/13/74/492071374.db2.gz YASKXFJIWCQUBC-UAFMIMERSA-N 2 1 368.566 0.558 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000606531634 492123896 /nfs/dbraw/zinc/12/38/96/492123896.db2.gz LGXAOIFPFCTMSX-QZTJIDSGSA-N 2 1 351.539 0.251 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000606663300 492125937 /nfs/dbraw/zinc/12/59/37/492125937.db2.gz MRGBCYHEZBYDSK-INIZCTEOSA-N 2 1 353.511 0.747 20 0 FCADMP CCOC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606701960 492127391 /nfs/dbraw/zinc/12/73/91/492127391.db2.gz MNPXWBFUWTUTCH-WBVHZDCISA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000607057207 492137864 /nfs/dbraw/zinc/13/78/64/492137864.db2.gz MNMRUCBNBZNSGI-DLBZAZTESA-N 2 1 367.538 0.995 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC1=O ZINC000607689506 492149091 /nfs/dbraw/zinc/14/90/91/492149091.db2.gz ATTGOOUIYYTXON-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000607689506 492149092 /nfs/dbraw/zinc/14/90/92/492149092.db2.gz ATTGOOUIYYTXON-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1=O ZINC000607689506 492149094 /nfs/dbraw/zinc/14/90/94/492149094.db2.gz ATTGOOUIYYTXON-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CCCC(=O)NC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608017741 492162508 /nfs/dbraw/zinc/16/25/08/492162508.db2.gz SKCHANVBVPEUTI-HNNXBMFYSA-N 2 1 352.479 0.446 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[NH+]1CCCCC1 ZINC000600015549 492230333 /nfs/dbraw/zinc/23/03/33/492230333.db2.gz VIZJLISQQCSGQB-QGZVFWFLSA-N 2 1 366.506 0.302 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2nc3ncccn3n2)CC1 ZINC000619180133 492252189 /nfs/dbraw/zinc/25/21/89/492252189.db2.gz KKPCJWWUIAJSBC-UHFFFAOYSA-N 2 1 352.402 0.452 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000619177497 492252523 /nfs/dbraw/zinc/25/25/23/492252523.db2.gz NQIAIQGSTBWISD-UHFFFAOYSA-N 2 1 361.446 0.411 20 0 FCADMP CC[NH+]1CCN(c2ncnc(N3CC[NH+](CC)CC3)c2C(=O)OC)CC1 ZINC000610722627 492259785 /nfs/dbraw/zinc/25/97/85/492259785.db2.gz KTALNDNAAOKQEO-UHFFFAOYSA-N 2 1 362.478 0.547 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225231 492282114 /nfs/dbraw/zinc/28/21/14/492282114.db2.gz SCVPHLNPFTYLEW-RBUKOAKNSA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225231 492282115 /nfs/dbraw/zinc/28/21/15/492282115.db2.gz SCVPHLNPFTYLEW-RBUKOAKNSA-N 2 1 364.534 0.724 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)n1 ZINC000619966311 492284359 /nfs/dbraw/zinc/28/43/59/492284359.db2.gz HSKRKOHETDYKCX-IAGOWNOFSA-N 2 1 361.490 0.818 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000647492530 492297693 /nfs/dbraw/zinc/29/76/93/492297693.db2.gz HVWYDZZYWSWZDX-UHFFFAOYSA-N 2 1 360.502 0.929 20 0 FCADMP COCCN1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1=O ZINC000620243758 492300193 /nfs/dbraw/zinc/30/01/93/492300193.db2.gz DQRFZRFIDDCOKA-AWEZNQCLSA-N 2 1 361.446 0.267 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641736767 492300961 /nfs/dbraw/zinc/30/09/61/492300961.db2.gz KOFXUNWZXDOBCW-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785237 492305888 /nfs/dbraw/zinc/30/58/88/492305888.db2.gz ZHUWFWFLMMLVKY-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641785237 492305892 /nfs/dbraw/zinc/30/58/92/492305892.db2.gz ZHUWFWFLMMLVKY-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641785237 492305894 /nfs/dbraw/zinc/30/58/94/492305894.db2.gz ZHUWFWFLMMLVKY-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000641806445 492306805 /nfs/dbraw/zinc/30/68/05/492306805.db2.gz PNLFGRCYZQBWIA-SJORKVTESA-N 2 1 374.485 0.491 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000627468888 492308479 /nfs/dbraw/zinc/30/84/79/492308479.db2.gz GJNLZIKXDGWTCI-QGZVFWFLSA-N 2 1 366.506 0.206 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000647561166 492308736 /nfs/dbraw/zinc/30/87/36/492308736.db2.gz APTMJCXEFKNVRV-INIZCTEOSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000647561166 492308738 /nfs/dbraw/zinc/30/87/38/492308738.db2.gz APTMJCXEFKNVRV-INIZCTEOSA-N 2 1 366.506 0.108 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627469646 492309407 /nfs/dbraw/zinc/30/94/07/492309407.db2.gz ATJBDFPYDGZJOW-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825418 492311208 /nfs/dbraw/zinc/31/12/08/492311208.db2.gz USPGEZNNSPNETE-XHSDSOJGSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825418 492311209 /nfs/dbraw/zinc/31/12/09/492311209.db2.gz USPGEZNNSPNETE-XHSDSOJGSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H]1c1ccccc1 ZINC000642195272 492340346 /nfs/dbraw/zinc/34/03/46/492340346.db2.gz YAWVUXMUXHJJJG-DZJNRPSUSA-N 2 1 356.470 0.758 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194108 492340424 /nfs/dbraw/zinc/34/04/24/492340424.db2.gz WJMOTKSUMBGAAA-RZQQEMMASA-N 2 1 362.518 0.968 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253919 492345364 /nfs/dbraw/zinc/34/53/64/492345364.db2.gz QMXKHWCEJSUFNV-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253933 492345653 /nfs/dbraw/zinc/34/56/53/492345653.db2.gz RGYFVILNFDCELN-ROUUACIJSA-N 2 1 374.485 0.119 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654758042 492346517 /nfs/dbraw/zinc/34/65/17/492346517.db2.gz OILNFJGSYGRQAV-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654758042 492346519 /nfs/dbraw/zinc/34/65/19/492346519.db2.gz OILNFJGSYGRQAV-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654758042 492346520 /nfs/dbraw/zinc/34/65/20/492346520.db2.gz OILNFJGSYGRQAV-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706944 492349090 /nfs/dbraw/zinc/34/90/90/492349090.db2.gz SYWQFNNWCSBUSX-ZCNNSNEGSA-N 2 1 372.513 0.643 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706944 492349091 /nfs/dbraw/zinc/34/90/91/492349091.db2.gz SYWQFNNWCSBUSX-ZCNNSNEGSA-N 2 1 372.513 0.643 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642302693 492349708 /nfs/dbraw/zinc/34/97/08/492349708.db2.gz VDCNYJPTTJRASR-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000642322086 492350435 /nfs/dbraw/zinc/35/04/35/492350435.db2.gz HLUIGYNJDKPIFN-YOEHRIQHSA-N 2 1 362.474 0.329 20 0 FCADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NS(C)(=O)=O ZINC000634705265 492361586 /nfs/dbraw/zinc/36/15/86/492361586.db2.gz XHESOHHJZYSVEG-KRWDZBQOSA-N 2 1 355.504 0.541 20 0 FCADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)NS(C)(=O)=O ZINC000634705265 492361588 /nfs/dbraw/zinc/36/15/88/492361588.db2.gz XHESOHHJZYSVEG-KRWDZBQOSA-N 2 1 355.504 0.541 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642640155 492368219 /nfs/dbraw/zinc/36/82/19/492368219.db2.gz AULBWZQXZQWDIO-ZACQAIPSSA-N 2 1 350.507 0.681 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640704 492368405 /nfs/dbraw/zinc/36/84/05/492368405.db2.gz KLICKWHVAFIYSK-GBESFXJTSA-N 2 1 370.497 0.739 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642645035 492368948 /nfs/dbraw/zinc/36/89/48/492368948.db2.gz GCSAADZBWIDGIJ-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000647835669 492369117 /nfs/dbraw/zinc/36/91/17/492369117.db2.gz HRWHWBMOTOYIFU-GOSISDBHSA-N 2 1 364.465 0.563 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000647835669 492369120 /nfs/dbraw/zinc/36/91/20/492369120.db2.gz HRWHWBMOTOYIFU-GOSISDBHSA-N 2 1 364.465 0.563 20 0 FCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835853 492370166 /nfs/dbraw/zinc/37/01/66/492370166.db2.gz RQXILCQJRNOPIY-UHFFFAOYSA-N 2 1 352.454 0.500 20 0 FCADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835853 492370169 /nfs/dbraw/zinc/37/01/69/492370169.db2.gz RQXILCQJRNOPIY-UHFFFAOYSA-N 2 1 352.454 0.500 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)CCC(F)(F)F ZINC000642680532 492372363 /nfs/dbraw/zinc/37/23/63/492372363.db2.gz VHCYWIASARQVPN-UHFFFAOYSA-N 2 1 352.401 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)CCC(F)(F)F ZINC000642680532 492372366 /nfs/dbraw/zinc/37/23/66/492372366.db2.gz VHCYWIASARQVPN-UHFFFAOYSA-N 2 1 352.401 0.717 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)CCC(F)(F)F ZINC000642680540 492372707 /nfs/dbraw/zinc/37/27/07/492372707.db2.gz WNHKKVWTLLYGFC-OLZOCXBDSA-N 2 1 364.412 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)CCC(F)(F)F ZINC000642680540 492372712 /nfs/dbraw/zinc/37/27/12/492372712.db2.gz WNHKKVWTLLYGFC-OLZOCXBDSA-N 2 1 364.412 0.587 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000642680537 492372925 /nfs/dbraw/zinc/37/29/25/492372925.db2.gz WGIFOHMJCNPBRW-GFCCVEGCSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000642680537 492372928 /nfs/dbraw/zinc/37/29/28/492372928.db2.gz WGIFOHMJCNPBRW-GFCCVEGCSA-N 2 1 352.401 0.574 20 0 FCADMP O=C1[C@@H](N2CC[NH+](CCN3CC[NH2+]CC3)CC2)CCN1c1ccccc1 ZINC000647884926 492376255 /nfs/dbraw/zinc/37/62/55/492376255.db2.gz MCJAFQUCZMRMPR-IBGZPJMESA-N 2 1 357.502 0.315 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642723179 492379893 /nfs/dbraw/zinc/37/98/93/492379893.db2.gz VAOXCGIVINOPKA-WMZOPIPTSA-N 2 1 356.470 0.371 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642723179 492379898 /nfs/dbraw/zinc/37/98/98/492379898.db2.gz VAOXCGIVINOPKA-WMZOPIPTSA-N 2 1 356.470 0.371 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000642728595 492381655 /nfs/dbraw/zinc/38/16/55/492381655.db2.gz KEGKALBEWVUSBD-YLFCFFPRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728595 492381659 /nfs/dbraw/zinc/38/16/59/492381659.db2.gz KEGKALBEWVUSBD-YLFCFFPRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000642728637 492382195 /nfs/dbraw/zinc/38/21/95/492382195.db2.gz OCFPCACCZTVUQX-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728637 492382200 /nfs/dbraw/zinc/38/22/00/492382200.db2.gz OCFPCACCZTVUQX-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642732675 492382482 /nfs/dbraw/zinc/38/24/82/492382482.db2.gz MKAGNOFFWRSHSN-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642732918 492382869 /nfs/dbraw/zinc/38/28/69/492382869.db2.gz CLJZKHDRVBCNGP-HKUYNNGSSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642759557 492386943 /nfs/dbraw/zinc/38/69/43/492386943.db2.gz PYQHUJWZPDXYQT-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975857 492388774 /nfs/dbraw/zinc/38/87/74/492388774.db2.gz GXWNFOMBLPUSIA-IAGOWNOFSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977444 492390383 /nfs/dbraw/zinc/39/03/83/492390383.db2.gz BJWBRCJGYCHMTN-ROUUACIJSA-N 2 1 362.518 0.779 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000655038965 492394911 /nfs/dbraw/zinc/39/49/11/492394911.db2.gz STIVGYHDPPUXJN-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000642802524 492396011 /nfs/dbraw/zinc/39/60/11/492396011.db2.gz MTEOOFQXIQMOBC-NSHDSACASA-N 2 1 354.401 0.509 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924110 492404950 /nfs/dbraw/zinc/40/49/50/492404950.db2.gz LDKMSKBTQVCAPF-WMZOPIPTSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958471 492406450 /nfs/dbraw/zinc/40/64/50/492406450.db2.gz AJJZJGUHOZZFOA-GDBMZVCRSA-N 2 1 366.506 0.693 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979905 492409080 /nfs/dbraw/zinc/40/90/80/492409080.db2.gz OOQRSAQGYPLXKR-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973146 492409482 /nfs/dbraw/zinc/40/94/82/492409482.db2.gz LBYQIVHXHACFPD-LJQANCHMSA-N 2 1 350.507 0.969 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000642982012 492410108 /nfs/dbraw/zinc/41/01/08/492410108.db2.gz NSHKIMVRLLLEPJ-AEFFLSMTSA-N 2 1 356.470 0.849 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000642981232 492410296 /nfs/dbraw/zinc/41/02/96/492410296.db2.gz WZHRPFPZVBDAPA-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@H]21 ZINC000642982013 492410555 /nfs/dbraw/zinc/41/05/55/492410555.db2.gz NSHKIMVRLLLEPJ-FUHWJXTLSA-N 2 1 356.470 0.849 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643014738 492414707 /nfs/dbraw/zinc/41/47/07/492414707.db2.gz UPXBEKZFXFQWDE-ILYVXUQDSA-N 2 1 374.529 0.966 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C2CC3CC(C2)CC1C3 ZINC000643013276 492414799 /nfs/dbraw/zinc/41/47/99/492414799.db2.gz DYCHPMSCFHVNKC-UHFFFAOYSA-N 2 1 374.529 0.953 20 0 FCADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072466 492418383 /nfs/dbraw/zinc/41/83/83/492418383.db2.gz KVWRAVKAYLMKLM-BEFAXECRSA-N 2 1 374.485 0.789 20 0 FCADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072466 492418386 /nfs/dbraw/zinc/41/83/86/492418386.db2.gz KVWRAVKAYLMKLM-BEFAXECRSA-N 2 1 374.485 0.789 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621837877 492421700 /nfs/dbraw/zinc/42/17/00/492421700.db2.gz SLMVUBPBQXLZRN-UWVAXJGDSA-N 2 1 356.470 0.717 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000621839505 492422061 /nfs/dbraw/zinc/42/20/61/492422061.db2.gz UHTUNBNNRMMVBM-SYNHAJSKSA-N 2 1 358.486 0.963 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000621843685 492424376 /nfs/dbraw/zinc/42/43/76/492424376.db2.gz JJSQXALKDKMZTF-OXQOHEQNSA-N 2 1 371.485 0.946 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccsc1 ZINC000621844557 492425109 /nfs/dbraw/zinc/42/51/09/492425109.db2.gz TVJCLJRYFFGARU-JJRVBVJISA-N 2 1 350.488 0.807 20 0 FCADMP C[N@H+](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000635300186 492431447 /nfs/dbraw/zinc/43/14/47/492431447.db2.gz LGDNYEXWQATIBB-UHFFFAOYSA-N 2 1 352.523 0.977 20 0 FCADMP C[N@@H+](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000635300186 492431450 /nfs/dbraw/zinc/43/14/50/492431450.db2.gz LGDNYEXWQATIBB-UHFFFAOYSA-N 2 1 352.523 0.977 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233540 492433602 /nfs/dbraw/zinc/43/36/02/492433602.db2.gz VZICBUDFCZGAJN-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000622024743 492442000 /nfs/dbraw/zinc/44/20/00/492442000.db2.gz AWBIHSOBJLVYCU-RXVVDRJESA-N 2 1 370.497 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655444245 492443343 /nfs/dbraw/zinc/44/33/43/492443343.db2.gz QUAUSNABROVHRL-QFBILLFUSA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655444245 492443347 /nfs/dbraw/zinc/44/33/47/492443347.db2.gz QUAUSNABROVHRL-QFBILLFUSA-N 2 1 350.507 0.779 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[N@@H+]1CCOC ZINC000622029517 492444192 /nfs/dbraw/zinc/44/41/92/492444192.db2.gz HMBDXIUGWMFIHY-GPMSIDNRSA-N 2 1 366.506 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[N@H+]1CCOC ZINC000622029517 492444194 /nfs/dbraw/zinc/44/41/94/492444194.db2.gz HMBDXIUGWMFIHY-GPMSIDNRSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000648769271 492454202 /nfs/dbraw/zinc/45/42/02/492454202.db2.gz OZUGQVNJXRTPLY-IAGOWNOFSA-N 2 1 360.506 0.835 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635557995 492471907 /nfs/dbraw/zinc/47/19/07/492471907.db2.gz GJVHIMXRLNYGQE-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc2c(c1)OCO2 ZINC000655707671 492477091 /nfs/dbraw/zinc/47/70/91/492477091.db2.gz YPOYVUPFOSDGBW-JKSUJKDBSA-N 2 1 364.442 0.998 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643480985 492477254 /nfs/dbraw/zinc/47/72/54/492477254.db2.gz MGKHJPOUPIZAEB-RTBURBONSA-N 2 1 370.497 0.931 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733890 492478612 /nfs/dbraw/zinc/47/86/12/492478612.db2.gz UTEXEQPYFLQWAO-BHYGNILZSA-N 2 1 359.536 0.937 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643489791 492479915 /nfs/dbraw/zinc/47/99/15/492479915.db2.gz PZBGORSOLYJHJZ-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000643498076 492482204 /nfs/dbraw/zinc/48/22/04/492482204.db2.gz VXUOQIWUHDGARZ-WCVJEAGWSA-N 2 1 352.479 0.036 20 0 FCADMP O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000643515644 492487588 /nfs/dbraw/zinc/48/75/88/492487588.db2.gz ADYHTLPHZGCSOM-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531829 492491842 /nfs/dbraw/zinc/49/18/42/492491842.db2.gz OXFUIBRWLBMHFA-RYQLBKOJSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643531926 492491868 /nfs/dbraw/zinc/49/18/68/492491868.db2.gz WYUWGYRYSXGOBH-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000643531889 492492458 /nfs/dbraw/zinc/49/24/58/492492458.db2.gz SRSJXPYXDWVKOG-OTWHNJEPSA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532541 492493082 /nfs/dbraw/zinc/49/30/82/492493082.db2.gz TYPJCXCTJYDZCC-OKYOBFRVSA-N 2 1 370.497 0.882 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000643540898 492494292 /nfs/dbraw/zinc/49/42/92/492494292.db2.gz PFYJTRGFERELRR-JFIYKMOQSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000643581010 492500054 /nfs/dbraw/zinc/50/00/54/492500054.db2.gz QOCKAOOLMWMMGS-IYBDPMFKSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCCOCC3)CC2)C1 ZINC000655971780 492500164 /nfs/dbraw/zinc/50/01/64/492500164.db2.gz RVNNZYOHVIBXNN-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000643585845 492500465 /nfs/dbraw/zinc/50/04/65/492500465.db2.gz XRGIRMXWMAWWJH-RYRKJORJSA-N 2 1 358.486 0.928 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000643593651 492502700 /nfs/dbraw/zinc/50/27/00/492502700.db2.gz CAQFCVWAUJNEEE-ULQDDVLXSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022777 492520015 /nfs/dbraw/zinc/52/00/15/492520015.db2.gz LVOQNTMOKWNGEL-YJNKXOJESA-N 2 1 352.479 0.349 20 0 FCADMP C[C@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000649311269 492528444 /nfs/dbraw/zinc/52/84/44/492528444.db2.gz BVHNLBUUXIBMBE-RHSMWYFYSA-N 2 1 354.458 0.989 20 0 FCADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1=O ZINC000635934422 492530574 /nfs/dbraw/zinc/53/05/74/492530574.db2.gz QCHBKLXABHBPDD-OAHLLOKOSA-N 2 1 365.478 0.302 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1=O ZINC000635934422 492530579 /nfs/dbraw/zinc/53/05/79/492530579.db2.gz QCHBKLXABHBPDD-OAHLLOKOSA-N 2 1 365.478 0.302 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000649332201 492536127 /nfs/dbraw/zinc/53/61/27/492536127.db2.gz FXURGEVAHRLMGZ-CQSZACIVSA-N 2 1 357.418 0.565 20 0 FCADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335645 492537596 /nfs/dbraw/zinc/53/75/96/492537596.db2.gz PZKKJOCJGYKQKK-GOSISDBHSA-N 2 1 360.502 0.585 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077853 492539059 /nfs/dbraw/zinc/53/90/59/492539059.db2.gz XRMGFYVKMNAEEW-HMDCTGQHSA-N 2 1 368.522 0.541 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000649351377 492544292 /nfs/dbraw/zinc/54/42/92/492544292.db2.gz ROPDYYKZBKFZLF-SFHVURJKSA-N 2 1 373.501 0.265 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000649357784 492547283 /nfs/dbraw/zinc/54/72/83/492547283.db2.gz JZUCXPCROOJFLN-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1cccc(N2CCN(C(=O)C[N@H+](C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409776 492551339 /nfs/dbraw/zinc/55/13/39/492551339.db2.gz WYBNEABSAWYVGR-UHFFFAOYSA-N 2 1 359.518 0.481 20 0 FCADMP Cc1cccc(N2CCN(C(=O)C[N@@H+](C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409776 492551342 /nfs/dbraw/zinc/55/13/42/492551342.db2.gz WYBNEABSAWYVGR-UHFFFAOYSA-N 2 1 359.518 0.481 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656150503 492557993 /nfs/dbraw/zinc/55/79/93/492557993.db2.gz VYATUOBEXIBVCH-PMPSAXMXSA-N 2 1 351.495 0.765 20 0 FCADMP C[N@H+]1CCCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571907 492568323 /nfs/dbraw/zinc/56/83/23/492568323.db2.gz LMABFHBKMQVEPY-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571907 492568328 /nfs/dbraw/zinc/56/83/28/492568328.db2.gz LMABFHBKMQVEPY-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571907 492568330 /nfs/dbraw/zinc/56/83/30/492568330.db2.gz LMABFHBKMQVEPY-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623725396 492587150 /nfs/dbraw/zinc/58/71/50/492587150.db2.gz YAWAQFNMSWKMGT-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623725396 492587156 /nfs/dbraw/zinc/58/71/56/492587156.db2.gz YAWAQFNMSWKMGT-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000636464057 492592865 /nfs/dbraw/zinc/59/28/65/492592865.db2.gz RKUAOMHPAHOQBY-MRXNPFEDSA-N 2 1 354.495 0.387 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636519338 492607582 /nfs/dbraw/zinc/60/75/82/492607582.db2.gz PDGZNOOKTAJZDD-XHSDSOJGSA-N 2 1 369.510 0.125 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636519338 492607587 /nfs/dbraw/zinc/60/75/87/492607587.db2.gz PDGZNOOKTAJZDD-XHSDSOJGSA-N 2 1 369.510 0.125 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636519338 492607593 /nfs/dbraw/zinc/60/75/93/492607593.db2.gz PDGZNOOKTAJZDD-XHSDSOJGSA-N 2 1 369.510 0.125 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000629323811 492608621 /nfs/dbraw/zinc/60/86/21/492608621.db2.gz JZRMVSSUNMOVGW-ZJPYXAASSA-N 2 1 352.523 0.723 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000629323811 492608624 /nfs/dbraw/zinc/60/86/24/492608624.db2.gz JZRMVSSUNMOVGW-ZJPYXAASSA-N 2 1 352.523 0.723 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656353971 492609225 /nfs/dbraw/zinc/60/92/25/492609225.db2.gz ADUFPUJHPWUVBU-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656355157 492609786 /nfs/dbraw/zinc/60/97/86/492609786.db2.gz JUQRYEIDFWAIGE-JKSUJKDBSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656355157 492609789 /nfs/dbraw/zinc/60/97/89/492609789.db2.gz JUQRYEIDFWAIGE-JKSUJKDBSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656355154 492610522 /nfs/dbraw/zinc/61/05/22/492610522.db2.gz JUQRYEIDFWAIGE-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656355154 492610525 /nfs/dbraw/zinc/61/05/25/492610525.db2.gz JUQRYEIDFWAIGE-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP Nc1nc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000623971965 492610666 /nfs/dbraw/zinc/61/06/66/492610666.db2.gz MUDVWALMKJSNSD-LLVKDONJSA-N 2 1 353.352 0.824 20 0 FCADMP CN1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636550208 492619222 /nfs/dbraw/zinc/61/92/22/492619222.db2.gz NMJZOOKFLJORJR-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636550208 492619232 /nfs/dbraw/zinc/61/92/32/492619232.db2.gz NMJZOOKFLJORJR-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588759 492631477 /nfs/dbraw/zinc/63/14/77/492631477.db2.gz NERXPBBQPWJOIE-DZGCQCFKSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588759 492631481 /nfs/dbraw/zinc/63/14/81/492631481.db2.gz NERXPBBQPWJOIE-DZGCQCFKSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@@H+]1CCc2sccc2C1 ZINC000636588759 492631484 /nfs/dbraw/zinc/63/14/84/492631484.db2.gz NERXPBBQPWJOIE-DZGCQCFKSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@H+]1CCc2sccc2C1 ZINC000636588759 492631488 /nfs/dbraw/zinc/63/14/88/492631488.db2.gz NERXPBBQPWJOIE-DZGCQCFKSA-N 2 1 352.504 0.861 20 0 FCADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000629558955 492644522 /nfs/dbraw/zinc/64/45/22/492644522.db2.gz OALMUONVSLOQAA-LJQANCHMSA-N 2 1 360.502 0.772 20 0 FCADMP COc1cccc([C@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[NH+](C)C)c1 ZINC000650566125 492651086 /nfs/dbraw/zinc/65/10/86/492651086.db2.gz ROGQPLLKIKIKBE-AEFFLSMTSA-N 2 1 362.474 0.758 20 0 FCADMP COc1cccc([C@H](CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[NH+](C)C)c1 ZINC000650566125 492651094 /nfs/dbraw/zinc/65/10/94/492651094.db2.gz ROGQPLLKIKIKBE-AEFFLSMTSA-N 2 1 362.474 0.758 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665021 492653971 /nfs/dbraw/zinc/65/39/71/492653971.db2.gz YTMCYZINTRMMBV-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000644152290 492654107 /nfs/dbraw/zinc/65/41/07/492654107.db2.gz RLJJHAYEXQQNFT-IBGZPJMESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668687 492654636 /nfs/dbraw/zinc/65/46/36/492654636.db2.gz PLZSUIBKSAORCY-WBVHZDCISA-N 2 1 369.469 0.921 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000629579083 492655549 /nfs/dbraw/zinc/65/55/49/492655549.db2.gz IRDTZYGHLRBMGV-UHFFFAOYSA-N 2 1 362.474 0.771 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000629579083 492655555 /nfs/dbraw/zinc/65/55/55/492655555.db2.gz IRDTZYGHLRBMGV-UHFFFAOYSA-N 2 1 362.474 0.771 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162147 492656037 /nfs/dbraw/zinc/65/60/37/492656037.db2.gz BFNBZXVWGIABJX-HKUYNNGSSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162147 492656039 /nfs/dbraw/zinc/65/60/39/492656039.db2.gz BFNBZXVWGIABJX-HKUYNNGSSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162147 492656042 /nfs/dbraw/zinc/65/60/42/492656042.db2.gz BFNBZXVWGIABJX-HKUYNNGSSA-N 2 1 365.522 0.130 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000629793213 492674200 /nfs/dbraw/zinc/67/42/00/492674200.db2.gz BGMHDSGTKYSUGT-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000650879850 492680585 /nfs/dbraw/zinc/68/05/85/492680585.db2.gz ZFDWSLFQWWDWQG-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000629809531 492683196 /nfs/dbraw/zinc/68/31/96/492683196.db2.gz GWEFEDKDLKFNJZ-OAGGEKHMSA-N 2 1 359.474 0.647 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000629816009 492686855 /nfs/dbraw/zinc/68/68/55/492686855.db2.gz STHQUJBRHDMIST-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644295131 492695770 /nfs/dbraw/zinc/69/57/70/492695770.db2.gz SUMQYRLDYAXNGQ-KURKYZTESA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644295131 492695772 /nfs/dbraw/zinc/69/57/72/492695772.db2.gz SUMQYRLDYAXNGQ-KURKYZTESA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644295131 492695775 /nfs/dbraw/zinc/69/57/75/492695775.db2.gz SUMQYRLDYAXNGQ-KURKYZTESA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793818 492695720 /nfs/dbraw/zinc/69/57/20/492695720.db2.gz GZKWEINQQKVCJG-IUODEOHRSA-N 2 1 356.417 0.933 20 0 FCADMP CN(C)[C@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793818 492695723 /nfs/dbraw/zinc/69/57/23/492695723.db2.gz GZKWEINQQKVCJG-IUODEOHRSA-N 2 1 356.417 0.933 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000636795562 492696494 /nfs/dbraw/zinc/69/64/94/492696494.db2.gz MMZJDVJBOARRHR-ULQDDVLXSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000636795558 492696562 /nfs/dbraw/zinc/69/65/62/492696562.db2.gz MMZJDVJBOARRHR-BRWVUGGUSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034264 492696794 /nfs/dbraw/zinc/69/67/94/492696794.db2.gz ZXNUBIMZLMSDKG-LZQZEXGQSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034264 492696798 /nfs/dbraw/zinc/69/67/98/492696798.db2.gz ZXNUBIMZLMSDKG-LZQZEXGQSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651034264 492696799 /nfs/dbraw/zinc/69/67/99/492696799.db2.gz ZXNUBIMZLMSDKG-LZQZEXGQSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651034264 492696803 /nfs/dbraw/zinc/69/68/03/492696803.db2.gz ZXNUBIMZLMSDKG-LZQZEXGQSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CC[N@H+]1C ZINC000636843862 492707701 /nfs/dbraw/zinc/70/77/01/492707701.db2.gz MIWGLSZTCRFHEX-RVKKMQEKSA-N 2 1 354.495 0.384 20 0 FCADMP C[NH+](CC(=O)N[C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708240 /nfs/dbraw/zinc/70/82/40/492708240.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](CC(=O)NC[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708246 /nfs/dbraw/zinc/70/82/46/492708246.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](CC(=O)NC[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708250 /nfs/dbraw/zinc/70/82/50/492708250.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)nc(C)[nH+]1 ZINC000636896287 492723490 /nfs/dbraw/zinc/72/34/90/492723490.db2.gz JJWAGEBLSVREQT-MRXNPFEDSA-N 2 1 362.478 0.428 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)nc(C)[nH+]1 ZINC000636896287 492723493 /nfs/dbraw/zinc/72/34/93/492723493.db2.gz JJWAGEBLSVREQT-MRXNPFEDSA-N 2 1 362.478 0.428 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000637036502 492755050 /nfs/dbraw/zinc/75/50/50/492755050.db2.gz LCHQRXWFYMUMLG-MSOLQXFVSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000637036502 492755054 /nfs/dbraw/zinc/75/50/54/492755054.db2.gz LCHQRXWFYMUMLG-MSOLQXFVSA-N 2 1 362.474 0.119 20 0 FCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000637036502 492755058 /nfs/dbraw/zinc/75/50/58/492755058.db2.gz LCHQRXWFYMUMLG-MSOLQXFVSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000630809943 492776895 /nfs/dbraw/zinc/77/68/95/492776895.db2.gz JLNPRMGVBQHZCJ-UHFFFAOYSA-N 3 1 357.462 0.844 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637151764 492782088 /nfs/dbraw/zinc/78/20/88/492782088.db2.gz BHBWKAAZTUCNAM-INIZCTEOSA-N 2 1 365.478 0.278 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000637171428 492785143 /nfs/dbraw/zinc/78/51/43/492785143.db2.gz YZLRVOJLCJMSOV-FGTMMUONSA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000637171428 492785146 /nfs/dbraw/zinc/78/51/46/492785146.db2.gz YZLRVOJLCJMSOV-FGTMMUONSA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000637171428 492785150 /nfs/dbraw/zinc/78/51/50/492785150.db2.gz YZLRVOJLCJMSOV-FGTMMUONSA-N 2 1 368.522 0.992 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000644562712 492785379 /nfs/dbraw/zinc/78/53/79/492785379.db2.gz LXPNLJPAYRHACD-FHWLQOOXSA-N 2 1 356.555 0.464 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644562713 492785726 /nfs/dbraw/zinc/78/57/26/492785726.db2.gz LXPNLJPAYRHACD-OTWHNJEPSA-N 2 1 356.555 0.464 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631063865 492795611 /nfs/dbraw/zinc/79/56/11/492795611.db2.gz OEWPHZCZWPCNFE-UHFFFAOYSA-N 2 1 374.894 0.241 20 0 FCADMP CCn1ncc(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000657824212 492799588 /nfs/dbraw/zinc/79/95/88/492799588.db2.gz OPHAAOLJKMIXRN-UHFFFAOYSA-N 2 1 364.494 0.634 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657871046 492806612 /nfs/dbraw/zinc/80/66/12/492806612.db2.gz ZSDJJEQKXPZNQZ-UHFFFAOYSA-N 2 1 370.457 0.784 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373477 492813298 /nfs/dbraw/zinc/81/32/98/492813298.db2.gz QCQWUEJKMVYKEZ-PMPSAXMXSA-N 2 1 351.495 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000637375488 492814716 /nfs/dbraw/zinc/81/47/16/492814716.db2.gz UTOFHTMIZMNZPG-IRXDYDNUSA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000637375488 492814720 /nfs/dbraw/zinc/81/47/20/492814720.db2.gz UTOFHTMIZMNZPG-IRXDYDNUSA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000637375488 492814723 /nfs/dbraw/zinc/81/47/23/492814723.db2.gz UTOFHTMIZMNZPG-IRXDYDNUSA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000637376497 492815840 /nfs/dbraw/zinc/81/58/40/492815840.db2.gz KWGWREWOSDOMSA-IRXDYDNUSA-N 2 1 365.522 0.986 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375725 492816313 /nfs/dbraw/zinc/81/63/13/492816313.db2.gz QMLJHHPDULTNHZ-ZBFHGGJFSA-N 2 1 353.511 0.698 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000644917978 492828743 /nfs/dbraw/zinc/82/87/43/492828743.db2.gz XJJSRXMJPPJNCD-LJQANCHMSA-N 2 1 366.506 0.110 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000644917978 492828746 /nfs/dbraw/zinc/82/87/46/492828746.db2.gz XJJSRXMJPPJNCD-LJQANCHMSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000651848996 492834363 /nfs/dbraw/zinc/83/43/63/492834363.db2.gz PLRCYIQZTZXMIC-CQSZACIVSA-N 2 1 350.467 0.231 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000645146533 492873034 /nfs/dbraw/zinc/87/30/34/492873034.db2.gz XSUVKKMKUGSPGA-QGZVFWFLSA-N 2 1 368.522 0.849 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000631914145 492879998 /nfs/dbraw/zinc/87/99/98/492879998.db2.gz MOCXGUPLGRQRPL-MRXNPFEDSA-N 2 1 358.483 0.947 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCCC[NH+]3CCOCC3)C2)C1 ZINC000652117799 492883096 /nfs/dbraw/zinc/88/30/96/492883096.db2.gz YWDNFZPFIWDAQY-GVDBMIGSSA-N 2 1 354.495 0.637 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652144693 492885624 /nfs/dbraw/zinc/88/56/24/492885624.db2.gz OQDRNMAHMRHZDV-INIZCTEOSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000652171685 492890673 /nfs/dbraw/zinc/89/06/73/492890673.db2.gz SIXWUKAAGYUALD-ZOFXXKQRSA-N 2 1 354.495 0.633 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000652171685 492890676 /nfs/dbraw/zinc/89/06/76/492890676.db2.gz SIXWUKAAGYUALD-ZOFXXKQRSA-N 2 1 354.495 0.633 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638064059 492898368 /nfs/dbraw/zinc/89/83/68/492898368.db2.gz RKJYYSQUKGSBEX-PXNSSMCTSA-N 2 1 374.485 0.457 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1)Cc1ccccc1 ZINC000638100710 492905344 /nfs/dbraw/zinc/90/53/44/492905344.db2.gz MQPJXZBHZOZXKW-UHFFFAOYSA-N 2 1 368.485 0.825 20 0 FCADMP C[C@@H](CC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973247 492910040 /nfs/dbraw/zinc/91/00/40/492910040.db2.gz RFQZKGGKARQVTE-UHZRXMQZSA-N 2 1 372.550 0.391 20 0 FCADMP C[C@@H](CC[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973247 492910043 /nfs/dbraw/zinc/91/00/43/492910043.db2.gz RFQZKGGKARQVTE-UHZRXMQZSA-N 2 1 372.550 0.391 20 0 FCADMP C[C@@H](CC[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973247 492910046 /nfs/dbraw/zinc/91/00/46/492910046.db2.gz RFQZKGGKARQVTE-UHZRXMQZSA-N 2 1 372.550 0.391 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351173 492914095 /nfs/dbraw/zinc/91/40/95/492914095.db2.gz JIOCHPUBLFKSRS-GUYCJALGSA-N 2 1 366.487 0.723 20 0 FCADMP C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354823 492914360 /nfs/dbraw/zinc/91/43/60/492914360.db2.gz JINQJHVYYGWUSA-WMLDXEAASA-N 2 1 362.474 0.616 20 0 FCADMP C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354823 492914362 /nfs/dbraw/zinc/91/43/62/492914362.db2.gz JINQJHVYYGWUSA-WMLDXEAASA-N 2 1 362.474 0.616 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361327 492915942 /nfs/dbraw/zinc/91/59/42/492915942.db2.gz DBZSIQDQDHKWCZ-PMPSAXMXSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361327 492915946 /nfs/dbraw/zinc/91/59/46/492915946.db2.gz DBZSIQDQDHKWCZ-PMPSAXMXSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361326 492916566 /nfs/dbraw/zinc/91/65/66/492916566.db2.gz DBZSIQDQDHKWCZ-OWCLPIDISA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361326 492916569 /nfs/dbraw/zinc/91/65/69/492916569.db2.gz DBZSIQDQDHKWCZ-OWCLPIDISA-N 2 1 352.479 0.086 20 0 FCADMP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174599 492921203 /nfs/dbraw/zinc/92/12/03/492921203.db2.gz QPYFHFAKNJPVRY-OALUTQOASA-N 2 1 370.497 0.931 20 0 FCADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174599 492921207 /nfs/dbraw/zinc/92/12/07/492921207.db2.gz QPYFHFAKNJPVRY-OALUTQOASA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632084408 492926129 /nfs/dbraw/zinc/92/61/29/492926129.db2.gz BHBMZEPGVWHWAE-KSZLIROESA-N 2 1 374.595 0.910 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000632118458 492933367 /nfs/dbraw/zinc/93/33/67/492933367.db2.gz QXFAZBICVQPKJM-JKSUJKDBSA-N 2 1 359.536 0.768 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000652468903 492941870 /nfs/dbraw/zinc/94/18/70/492941870.db2.gz VYGWIZOXDWBWKE-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000652468903 492941875 /nfs/dbraw/zinc/94/18/75/492941875.db2.gz VYGWIZOXDWBWKE-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000652468904 492941950 /nfs/dbraw/zinc/94/19/50/492941950.db2.gz VYGWIZOXDWBWKE-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000652468904 492941954 /nfs/dbraw/zinc/94/19/54/492941954.db2.gz VYGWIZOXDWBWKE-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447616 492948194 /nfs/dbraw/zinc/94/81/94/492948194.db2.gz HMCPYFCPZMRTQM-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447616 492948199 /nfs/dbraw/zinc/94/81/99/492948199.db2.gz HMCPYFCPZMRTQM-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000632197011 492948311 /nfs/dbraw/zinc/94/83/11/492948311.db2.gz FTQDWLAYTBSYAW-KRWDZBQOSA-N 2 1 355.504 0.624 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632285112 492965408 /nfs/dbraw/zinc/96/54/08/492965408.db2.gz DTMVGIXJOOQPKU-MRXNPFEDSA-N 2 1 359.536 0.987 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632285112 492965410 /nfs/dbraw/zinc/96/54/10/492965410.db2.gz DTMVGIXJOOQPKU-MRXNPFEDSA-N 2 1 359.536 0.987 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638837085 492981330 /nfs/dbraw/zinc/98/13/30/492981330.db2.gz XVCMZHSBKAHPPQ-KBAYOESNSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673255 492985263 /nfs/dbraw/zinc/98/52/63/492985263.db2.gz ITFIYNVKAPEIHK-XHSDSOJGSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652704921 492995539 /nfs/dbraw/zinc/99/55/39/492995539.db2.gz WOEFPARNGVAYEI-QGZVFWFLSA-N 2 1 368.522 0.642 20 0 FCADMP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009515 492999728 /nfs/dbraw/zinc/99/97/28/492999728.db2.gz OPSPYJAQNVOOBP-RTBURBONSA-N 2 1 360.502 0.469 20 0 FCADMP COc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1OCC[NH+](C)C ZINC000626591055 493000519 /nfs/dbraw/zinc/00/05/19/493000519.db2.gz JSNOCSLLNZSWHJ-OAHLLOKOSA-N 2 1 366.462 0.824 20 0 FCADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000646009629 493001228 /nfs/dbraw/zinc/00/12/28/493001228.db2.gz YCLMNHIBKHYBPN-SQNIBIBYSA-N 2 1 352.523 0.535 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652726660 493005610 /nfs/dbraw/zinc/00/56/10/493005610.db2.gz GZHNGWAGSWPQOM-YESZJQIVSA-N 2 1 366.506 0.286 20 0 FCADMP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000646139753 493018138 /nfs/dbraw/zinc/01/81/38/493018138.db2.gz YWLJNRMUGJLSGB-BRWVUGGUSA-N 2 1 359.536 0.338 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712074 493022280 /nfs/dbraw/zinc/02/22/80/493022280.db2.gz QQLGWICYIWTVPL-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712074 493022285 /nfs/dbraw/zinc/02/22/85/493022285.db2.gz QQLGWICYIWTVPL-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712074 493022286 /nfs/dbraw/zinc/02/22/86/493022286.db2.gz QQLGWICYIWTVPL-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712074 493022290 /nfs/dbraw/zinc/02/22/90/493022290.db2.gz QQLGWICYIWTVPL-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000658712076 493022340 /nfs/dbraw/zinc/02/23/40/493022340.db2.gz QQLGWICYIWTVPL-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000658712076 493022343 /nfs/dbraw/zinc/02/23/43/493022343.db2.gz QQLGWICYIWTVPL-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000658712076 493022347 /nfs/dbraw/zinc/02/23/47/493022347.db2.gz QQLGWICYIWTVPL-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000658712076 493022350 /nfs/dbraw/zinc/02/23/50/493022350.db2.gz QQLGWICYIWTVPL-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682956 493030820 /nfs/dbraw/zinc/03/08/20/493030820.db2.gz NOVITMSWQGZHKG-KRWDZBQOSA-N 2 1 359.474 0.721 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682956 493030824 /nfs/dbraw/zinc/03/08/24/493030824.db2.gz NOVITMSWQGZHKG-KRWDZBQOSA-N 2 1 359.474 0.721 20 0 FCADMP Cc1ncc(CNC(=O)CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000639863939 493060095 /nfs/dbraw/zinc/06/00/95/493060095.db2.gz QVHRLOPYFLCFTF-HNNXBMFYSA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ncc(CNC(=O)CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000639863939 493060099 /nfs/dbraw/zinc/06/00/99/493060099.db2.gz QVHRLOPYFLCFTF-HNNXBMFYSA-N 2 1 352.504 0.989 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000626918343 493062430 /nfs/dbraw/zinc/06/24/30/493062430.db2.gz ZGNZZPSXHFUIRG-OLZOCXBDSA-N 2 1 352.401 0.877 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000626923645 493063419 /nfs/dbraw/zinc/06/34/19/493063419.db2.gz YDXVSCZDFIULAD-FUHWJXTLSA-N 2 1 369.473 0.886 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000626935941 493067671 /nfs/dbraw/zinc/06/76/71/493067671.db2.gz BGOVGDOOPSDFRO-DLBZAZTESA-N 2 1 361.490 0.485 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)oc1C ZINC000653119881 493074143 /nfs/dbraw/zinc/07/41/43/493074143.db2.gz ZRANRIJOKDUWIL-LPHOPBHVSA-N 2 1 362.474 0.856 20 0 FCADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985335 493075137 /nfs/dbraw/zinc/07/51/37/493075137.db2.gz DDSNHSKFENHJRV-AEFFLSMTSA-N 2 1 364.490 0.893 20 0 FCADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985335 493075141 /nfs/dbraw/zinc/07/51/41/493075141.db2.gz DDSNHSKFENHJRV-AEFFLSMTSA-N 2 1 364.490 0.893 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000653124859 493075856 /nfs/dbraw/zinc/07/58/56/493075856.db2.gz JHFZNYTYBRUBPD-RBUKOAKNSA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000653124859 493075860 /nfs/dbraw/zinc/07/58/60/493075860.db2.gz JHFZNYTYBRUBPD-RBUKOAKNSA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000653124859 493075865 /nfs/dbraw/zinc/07/58/65/493075865.db2.gz JHFZNYTYBRUBPD-RBUKOAKNSA-N 2 1 361.534 0.760 20 0 FCADMP [NH3+]CC1(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOCC1 ZINC000627116786 493090063 /nfs/dbraw/zinc/09/00/63/493090063.db2.gz NCQNOPLFZHDBKZ-HUUCEWRRSA-N 2 1 352.479 0.437 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082231 493117753 /nfs/dbraw/zinc/11/77/53/493117753.db2.gz MZDLEALCJLXXKD-KSZLIROESA-N 2 1 371.485 0.467 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259663 493121766 /nfs/dbraw/zinc/12/17/66/493121766.db2.gz XHBHHQHJWCPJRE-WOJBJXKFSA-N 2 1 372.513 0.715 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CCN3C(=O)c4ccccc4C3=O)nn2)CC1 ZINC000640754536 493127738 /nfs/dbraw/zinc/12/77/38/493127738.db2.gz ZYMVAOIALPLBJE-UHFFFAOYSA-N 2 1 368.441 0.540 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104664 493128107 /nfs/dbraw/zinc/12/81/07/493128107.db2.gz HCSJRYLXBFIQBB-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000633104664 493128109 /nfs/dbraw/zinc/12/81/09/493128109.db2.gz HCSJRYLXBFIQBB-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000633104664 493128113 /nfs/dbraw/zinc/12/81/13/493128113.db2.gz HCSJRYLXBFIQBB-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316225 493145678 /nfs/dbraw/zinc/14/56/78/493145678.db2.gz CMMWELBOTTWSRW-PTZATXGZSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316225 493145683 /nfs/dbraw/zinc/14/56/83/493145683.db2.gz CMMWELBOTTWSRW-PTZATXGZSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316225 493145689 /nfs/dbraw/zinc/14/56/89/493145689.db2.gz CMMWELBOTTWSRW-PTZATXGZSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659098325 493150968 /nfs/dbraw/zinc/15/09/68/493150968.db2.gz MAGFEWWKFMVJEW-UHFFFAOYSA-N 2 1 361.446 0.513 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000641167205 493174705 /nfs/dbraw/zinc/17/47/05/493174705.db2.gz FMOQBHATZAXNAJ-QGZVFWFLSA-N 2 1 363.510 0.062 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)C1 ZINC000659246281 493178555 /nfs/dbraw/zinc/17/85/55/493178555.db2.gz ISCMLJPMQJOWNK-KRWDZBQOSA-N 2 1 364.534 0.901 20 0 FCADMP C[C@H]1C[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000627362570 493178884 /nfs/dbraw/zinc/17/88/84/493178884.db2.gz QNQUUHDNZAPUAC-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367086 493181697 /nfs/dbraw/zinc/18/16/97/493181697.db2.gz JUUYUKTXYHOAHV-RDJZCZTQSA-N 2 1 362.474 0.057 20 0 FCADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000659453309 493183448 /nfs/dbraw/zinc/18/34/48/493183448.db2.gz KWSCZMBLMPQCQX-ZDUSSCGKSA-N 2 1 358.446 0.961 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672573471 493208674 /nfs/dbraw/zinc/20/86/74/493208674.db2.gz QRKCULZVYDMQBG-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672573471 493208677 /nfs/dbraw/zinc/20/86/77/493208677.db2.gz QRKCULZVYDMQBG-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672573470 493208882 /nfs/dbraw/zinc/20/88/82/493208882.db2.gz QRKCULZVYDMQBG-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672573470 493208884 /nfs/dbraw/zinc/20/88/84/493208884.db2.gz QRKCULZVYDMQBG-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539570 493209637 /nfs/dbraw/zinc/20/96/37/493209637.db2.gz RKJRWKYOTHIMAD-OLZOCXBDSA-N 2 1 365.444 0.995 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000672593305 493212096 /nfs/dbraw/zinc/21/20/96/493212096.db2.gz JIDFRFKGLPFVNK-YOEHRIQHSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593305 493212100 /nfs/dbraw/zinc/21/21/00/493212100.db2.gz JIDFRFKGLPFVNK-YOEHRIQHSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593305 493212106 /nfs/dbraw/zinc/21/21/06/493212106.db2.gz JIDFRFKGLPFVNK-YOEHRIQHSA-N 2 1 364.465 0.973 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609501 493219784 /nfs/dbraw/zinc/21/97/84/493219784.db2.gz AYVHXVOZOYBHDT-FDYSRKEFSA-N 2 1 357.502 0.854 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609501 493219790 /nfs/dbraw/zinc/21/97/90/493219790.db2.gz AYVHXVOZOYBHDT-FDYSRKEFSA-N 2 1 357.502 0.854 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000659617857 493222098 /nfs/dbraw/zinc/22/20/98/493222098.db2.gz WGAYGCVPKRTNFA-SFANZJOMSA-N 2 1 358.486 0.921 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](c2ccccc2)C1 ZINC000659632757 493225521 /nfs/dbraw/zinc/22/55/21/493225521.db2.gz FTMLZLMEUPPDFP-HNNXBMFYSA-N 2 1 356.430 0.839 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000672698994 493236482 /nfs/dbraw/zinc/23/64/82/493236482.db2.gz VPWRMEZDFPRBJU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000672698994 493236486 /nfs/dbraw/zinc/23/64/86/493236486.db2.gz VPWRMEZDFPRBJU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000672699821 493236756 /nfs/dbraw/zinc/23/67/56/493236756.db2.gz JRJMJNWLBIDDAZ-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000672699821 493236759 /nfs/dbraw/zinc/23/67/59/493236759.db2.gz JRJMJNWLBIDDAZ-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000666927121 493238997 /nfs/dbraw/zinc/23/89/97/493238997.db2.gz GNPQCVLHZDEXMB-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC[N@H+]1C ZINC000659678410 493247143 /nfs/dbraw/zinc/24/71/43/493247143.db2.gz MDUHPLNMBXYWLB-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000659684736 493251800 /nfs/dbraw/zinc/25/18/00/493251800.db2.gz KNVVDCUHSOUTOB-MRXNPFEDSA-N 2 1 368.522 0.627 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C[N@H+]1C1CC1 ZINC000659694531 493257555 /nfs/dbraw/zinc/25/75/55/493257555.db2.gz VJDKZRHVEVDHFD-DJIMGWMZSA-N 2 1 362.518 0.966 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659699067 493260018 /nfs/dbraw/zinc/26/00/18/493260018.db2.gz KGPJCEUGDXHCBK-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659703990 493263281 /nfs/dbraw/zinc/26/32/81/493263281.db2.gz IJABBRMXWSSYPO-WBVHZDCISA-N 2 1 362.518 0.825 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000659706638 493265191 /nfs/dbraw/zinc/26/51/91/493265191.db2.gz NKXZAGLEYNMNLV-GFCCVEGCSA-N 2 1 368.428 0.770 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000659707050 493265311 /nfs/dbraw/zinc/26/53/11/493265311.db2.gz GEBPZMCAUQWZTR-PBHICJAKSA-N 2 1 364.465 0.960 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672920380 493265997 /nfs/dbraw/zinc/26/59/97/493265997.db2.gz UVUCNKXQDOXQGP-CVEARBPZSA-N 2 1 368.547 0.625 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672920380 493266001 /nfs/dbraw/zinc/26/60/01/493266001.db2.gz UVUCNKXQDOXQGP-CVEARBPZSA-N 2 1 368.547 0.625 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659722642 493272868 /nfs/dbraw/zinc/27/28/68/493272868.db2.gz FKILEUMLWPBSMG-ZBFHGGJFSA-N 2 1 352.479 0.004 20 0 FCADMP COC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000682169458 493274387 /nfs/dbraw/zinc/27/43/87/493274387.db2.gz YBFQSPDGNJCKNZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000682169458 493274391 /nfs/dbraw/zinc/27/43/91/493274391.db2.gz YBFQSPDGNJCKNZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000682169458 493274393 /nfs/dbraw/zinc/27/43/93/493274393.db2.gz YBFQSPDGNJCKNZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1)[NH+]1CCOCC1 ZINC000667296646 493274603 /nfs/dbraw/zinc/27/46/03/493274603.db2.gz QLUDPMKBCWUQBA-CQSZACIVSA-N 2 1 360.458 0.887 20 0 FCADMP CC(CN1CC[NH+](C(C)(C)CO)CC1)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000673897203 493372470 /nfs/dbraw/zinc/37/24/70/493372470.db2.gz UMLZPSQQWQTIJU-UHFFFAOYSA-N 2 1 370.582 0.400 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000668584769 493380298 /nfs/dbraw/zinc/38/02/98/493380298.db2.gz FIZHEVKULWRJSI-QZTJIDSGSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000668602769 493382645 /nfs/dbraw/zinc/38/26/45/493382645.db2.gz KGABESYITOLYRV-HZPDHXFCSA-N 2 1 354.495 0.779 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660900310 493391940 /nfs/dbraw/zinc/39/19/40/493391940.db2.gz XMNZXASUXMDGHI-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000674326698 493408952 /nfs/dbraw/zinc/40/89/52/493408952.db2.gz LDPMKHNQRLJOGP-KRWDZBQOSA-N 2 1 356.511 0.753 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[N@@H+](C)C1CC1 ZINC000668796459 493412399 /nfs/dbraw/zinc/41/23/99/493412399.db2.gz VAZCLLINQFQTNS-AWEZNQCLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000668894055 493430073 /nfs/dbraw/zinc/43/00/73/493430073.db2.gz UMPWLAIDRQLVNX-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000668894055 493430076 /nfs/dbraw/zinc/43/00/76/493430076.db2.gz UMPWLAIDRQLVNX-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894055 493430079 /nfs/dbraw/zinc/43/00/79/493430079.db2.gz UMPWLAIDRQLVNX-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894055 493430083 /nfs/dbraw/zinc/43/00/83/493430083.db2.gz UMPWLAIDRQLVNX-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685082421 493448155 /nfs/dbraw/zinc/44/81/55/493448155.db2.gz REGSZEHFRWBJPW-BBWFWOEESA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685082421 493448158 /nfs/dbraw/zinc/44/81/58/493448158.db2.gz REGSZEHFRWBJPW-BBWFWOEESA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685082421 493448161 /nfs/dbraw/zinc/44/81/61/493448161.db2.gz REGSZEHFRWBJPW-BBWFWOEESA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685082421 493448162 /nfs/dbraw/zinc/44/81/62/493448162.db2.gz REGSZEHFRWBJPW-BBWFWOEESA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450141 /nfs/dbraw/zinc/45/01/41/493450141.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450142 /nfs/dbraw/zinc/45/01/42/493450142.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450145 /nfs/dbraw/zinc/45/01/45/493450145.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 2 1 362.518 0.824 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000669028412 493454163 /nfs/dbraw/zinc/45/41/63/493454163.db2.gz BKLVRORPXLNDTN-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685304956 493473373 /nfs/dbraw/zinc/47/33/73/493473373.db2.gz RXNNOCHTDFQFKO-QGPMSJSTSA-N 2 1 362.518 0.776 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685337831 493478150 /nfs/dbraw/zinc/47/81/50/493478150.db2.gz JGUSIGLFMBXNSB-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685337831 493478145 /nfs/dbraw/zinc/47/81/45/493478145.db2.gz JGUSIGLFMBXNSB-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685337831 493478147 /nfs/dbraw/zinc/47/81/47/493478147.db2.gz JGUSIGLFMBXNSB-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685337831 493478149 /nfs/dbraw/zinc/47/81/49/493478149.db2.gz JGUSIGLFMBXNSB-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP O=C(C[NH+]1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661978657 493479891 /nfs/dbraw/zinc/47/98/91/493479891.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 2 1 360.502 0.341 20 0 FCADMP O=C(C[NH+]1CC[C@H]2C[C@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978657 493479894 /nfs/dbraw/zinc/47/98/94/493479894.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 2 1 360.502 0.341 20 0 FCADMP O=C(C[NH+]1CC[C@H]2C[C@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978657 493479895 /nfs/dbraw/zinc/47/98/95/493479895.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 2 1 360.502 0.341 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340462 493480855 /nfs/dbraw/zinc/48/08/55/493480855.db2.gz QRHLUVOTWBSHQU-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000685340462 493480857 /nfs/dbraw/zinc/48/08/57/493480857.db2.gz QRHLUVOTWBSHQU-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP COc1cc(NC(=O)CC[NH2+]C2(CO)CC[NH2+]CC2)cc(OC)c1OC ZINC000662285923 493502294 /nfs/dbraw/zinc/50/22/94/493502294.db2.gz AJQWRJKFMHPCPM-UHFFFAOYSA-N 2 1 367.446 0.745 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669430850 493503501 /nfs/dbraw/zinc/50/35/01/493503501.db2.gz HGEKROBFROSYSQ-MJGOQNOKSA-N 2 1 372.517 0.987 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669430849 493503836 /nfs/dbraw/zinc/50/38/36/493503836.db2.gz HGEKROBFROSYSQ-IEBWSBKVSA-N 2 1 372.517 0.987 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000685595111 493504427 /nfs/dbraw/zinc/50/44/27/493504427.db2.gz FUMHGMUHVBRMOT-QZTJIDSGSA-N 2 1 369.531 0.883 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000685595111 493504429 /nfs/dbraw/zinc/50/44/29/493504429.db2.gz FUMHGMUHVBRMOT-QZTJIDSGSA-N 2 1 369.531 0.883 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298996 493504482 /nfs/dbraw/zinc/50/44/82/493504482.db2.gz ZDKNVTWVZUVYDO-PBHICJAKSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000662293783 493504650 /nfs/dbraw/zinc/50/46/50/493504650.db2.gz NTRJFFURCJLABW-GOSISDBHSA-N 2 1 372.517 0.837 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295191 493504669 /nfs/dbraw/zinc/50/46/69/493504669.db2.gz FVKHCKPWSHZHGA-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295191 493504671 /nfs/dbraw/zinc/50/46/71/493504671.db2.gz FVKHCKPWSHZHGA-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662309809 493505339 /nfs/dbraw/zinc/50/53/39/493505339.db2.gz DVHVLVGRYBBPOL-KRWDZBQOSA-N 2 1 352.504 0.798 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000669473101 493505659 /nfs/dbraw/zinc/50/56/59/493505659.db2.gz LIEHCVYVUKYRHT-ZWKOTPCHSA-N 2 1 373.501 0.675 20 0 FCADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486547 493506445 /nfs/dbraw/zinc/50/64/45/493506445.db2.gz WGUUSAHWBPGZTK-SJORKVTESA-N 2 1 353.511 0.210 20 0 FCADMP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337598 493507920 /nfs/dbraw/zinc/50/79/20/493507920.db2.gz LUOQFZRUUKUXTM-IRXDYDNUSA-N 2 1 362.522 0.719 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000669518498 493508949 /nfs/dbraw/zinc/50/89/49/493508949.db2.gz QMOJWJWTVLMHDW-AEFFLSMTSA-N 2 1 373.501 0.628 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000675882919 493510067 /nfs/dbraw/zinc/51/00/67/493510067.db2.gz VFPARIPXXVZFFD-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675898320 493510953 /nfs/dbraw/zinc/51/09/53/493510953.db2.gz MMWKZAPYRLMYIE-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675898320 493510956 /nfs/dbraw/zinc/51/09/56/493510956.db2.gz MMWKZAPYRLMYIE-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1F ZINC000662401927 493513110 /nfs/dbraw/zinc/51/31/10/493513110.db2.gz UTMRTVJLPRBYMX-BLLLJJGKSA-N 2 1 366.412 0.635 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994312 493516913 /nfs/dbraw/zinc/51/69/13/493516913.db2.gz ABNRCCWGNBFPEB-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662467552 493518763 /nfs/dbraw/zinc/51/87/63/493518763.db2.gz GRRNICOTPOTMHV-UHFFFAOYSA-N 2 1 357.462 0.131 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704662 493533053 /nfs/dbraw/zinc/53/30/53/493533053.db2.gz JOAPTDCTAOVTAH-RISCZKNCSA-N 2 1 350.385 0.232 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662705979 493533245 /nfs/dbraw/zinc/53/32/45/493533245.db2.gz WQTHLIDGWJALOM-DJIMGWMZSA-N 2 1 374.489 0.576 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712096 493533541 /nfs/dbraw/zinc/53/35/41/493533541.db2.gz PXJZREPUYLUPND-SWLSCSKDSA-N 2 1 364.412 0.587 20 0 FCADMP C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676246986 493534430 /nfs/dbraw/zinc/53/44/30/493534430.db2.gz YSVPVTUIRSVGBB-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246986 493534431 /nfs/dbraw/zinc/53/44/31/493534431.db2.gz YSVPVTUIRSVGBB-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676250210 493535241 /nfs/dbraw/zinc/53/52/41/493535241.db2.gz FLJRQNIUUZQIEC-PQEBFOHHSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250210 493535243 /nfs/dbraw/zinc/53/52/43/493535243.db2.gz FLJRQNIUUZQIEC-PQEBFOHHSA-N 2 1 354.495 0.383 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)oc1C ZINC000662729905 493535588 /nfs/dbraw/zinc/53/55/88/493535588.db2.gz PIJAUGBCIIRYRN-JKSUJKDBSA-N 2 1 350.463 0.983 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662755492 493539037 /nfs/dbraw/zinc/53/90/37/493539037.db2.gz CFOJIKNKILHBEW-MOPGFXCFSA-N 2 1 360.502 0.804 20 0 FCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000662757455 493539639 /nfs/dbraw/zinc/53/96/39/493539639.db2.gz MQMUXSAYEYDFNC-IAGOWNOFSA-N 2 1 366.893 0.942 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)O1 ZINC000662779787 493541565 /nfs/dbraw/zinc/54/15/65/493541565.db2.gz NOBFQTDTFDYEFQ-QXCFHYIPSA-N 2 1 359.470 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)O1 ZINC000662779787 493541568 /nfs/dbraw/zinc/54/15/68/493541568.db2.gz NOBFQTDTFDYEFQ-QXCFHYIPSA-N 2 1 359.470 0.865 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)O1 ZINC000662779786 493541612 /nfs/dbraw/zinc/54/16/12/493541612.db2.gz NOBFQTDTFDYEFQ-OQIJWPOYSA-N 2 1 359.470 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)O1 ZINC000662779786 493541613 /nfs/dbraw/zinc/54/16/13/493541613.db2.gz NOBFQTDTFDYEFQ-OQIJWPOYSA-N 2 1 359.470 0.865 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000662789016 493542147 /nfs/dbraw/zinc/54/21/47/493542147.db2.gz ZKEPZNRICKRGLK-DLBZAZTESA-N 2 1 366.506 0.191 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc(F)cc3F)C2)nn1 ZINC000662813573 493544328 /nfs/dbraw/zinc/54/43/28/493544328.db2.gz KXRZGXSLQMMBHH-WFASDCNBSA-N 2 1 350.373 0.879 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000662895653 493550064 /nfs/dbraw/zinc/55/00/64/493550064.db2.gz FIUCYSIXAWLADX-NCOADZHNSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000662989048 493565141 /nfs/dbraw/zinc/56/51/41/493565141.db2.gz ZAYRACBCKRNKIF-WBVHZDCISA-N 2 1 367.538 0.057 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000662989048 493565144 /nfs/dbraw/zinc/56/51/44/493565144.db2.gz ZAYRACBCKRNKIF-WBVHZDCISA-N 2 1 367.538 0.057 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000670545575 493579416 /nfs/dbraw/zinc/57/94/16/493579416.db2.gz XAWWXHYBBPLLBV-INIZCTEOSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000670572459 493580209 /nfs/dbraw/zinc/58/02/09/493580209.db2.gz BMHDNKJOUOZJLB-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670709366 493589366 /nfs/dbraw/zinc/58/93/66/493589366.db2.gz OTKDYOHWUTXAEA-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000663619075 493604731 /nfs/dbraw/zinc/60/47/31/493604731.db2.gz YPDCHBCQJMWKIG-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670877846 493608241 /nfs/dbraw/zinc/60/82/41/493608241.db2.gz IDPOFUNEXOGDBS-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670895276 493609662 /nfs/dbraw/zinc/60/96/62/493609662.db2.gz YLISWCBWWJSHMA-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670895276 493609665 /nfs/dbraw/zinc/60/96/65/493609665.db2.gz YLISWCBWWJSHMA-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663692732 493612334 /nfs/dbraw/zinc/61/23/34/493612334.db2.gz XDRZMADIQZYHFE-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000677740146 493614709 /nfs/dbraw/zinc/61/47/09/493614709.db2.gz VQVGICYKSLGWCO-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000677740146 493614710 /nfs/dbraw/zinc/61/47/10/493614710.db2.gz VQVGICYKSLGWCO-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000677740146 493614711 /nfs/dbraw/zinc/61/47/11/493614711.db2.gz VQVGICYKSLGWCO-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000677794360 493616709 /nfs/dbraw/zinc/61/67/09/493616709.db2.gz NYWKQEKHGAVPBW-OALUTQOASA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000677794360 493616711 /nfs/dbraw/zinc/61/67/11/493616711.db2.gz NYWKQEKHGAVPBW-OALUTQOASA-N 2 1 360.502 0.233 20 0 FCADMP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000677810916 493617169 /nfs/dbraw/zinc/61/71/69/493617169.db2.gz QKFUSDCTMAPDIZ-GOEBONIOSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000677810916 493617171 /nfs/dbraw/zinc/61/71/71/493617171.db2.gz QKFUSDCTMAPDIZ-GOEBONIOSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000670984968 493620670 /nfs/dbraw/zinc/62/06/70/493620670.db2.gz BHSIHPQBQQZPJD-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000670984968 493620672 /nfs/dbraw/zinc/62/06/72/493620672.db2.gz BHSIHPQBQQZPJD-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000670984968 493620675 /nfs/dbraw/zinc/62/06/75/493620675.db2.gz BHSIHPQBQQZPJD-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCOCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671030847 493624202 /nfs/dbraw/zinc/62/42/02/493624202.db2.gz MOJSLIAHXNKULI-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671031729 493624835 /nfs/dbraw/zinc/62/48/35/493624835.db2.gz XHFZYYNTJYXNGB-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671031729 493624836 /nfs/dbraw/zinc/62/48/36/493624836.db2.gz XHFZYYNTJYXNGB-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671099215 493632900 /nfs/dbraw/zinc/63/29/00/493632900.db2.gz AEZRFJHVGBNEIA-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671099215 493632902 /nfs/dbraw/zinc/63/29/02/493632902.db2.gz AEZRFJHVGBNEIA-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671099215 493632903 /nfs/dbraw/zinc/63/29/03/493632903.db2.gz AEZRFJHVGBNEIA-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000671102353 493633600 /nfs/dbraw/zinc/63/36/00/493633600.db2.gz YIFMIPFIHPBZDA-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102353 493633601 /nfs/dbraw/zinc/63/36/01/493633601.db2.gz YIFMIPFIHPBZDA-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102353 493633603 /nfs/dbraw/zinc/63/36/03/493633603.db2.gz YIFMIPFIHPBZDA-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664066073 493634045 /nfs/dbraw/zinc/63/40/45/493634045.db2.gz QYADGDIJTYUILP-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664066073 493634047 /nfs/dbraw/zinc/63/40/47/493634047.db2.gz QYADGDIJTYUILP-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664066073 493634048 /nfs/dbraw/zinc/63/40/48/493634048.db2.gz QYADGDIJTYUILP-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000671108079 493635539 /nfs/dbraw/zinc/63/55/39/493635539.db2.gz MQOMOUOKQCIBIN-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671108361 493636633 /nfs/dbraw/zinc/63/66/33/493636633.db2.gz OIDMRNZOYDMIPA-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671108361 493636635 /nfs/dbraw/zinc/63/66/35/493636635.db2.gz OIDMRNZOYDMIPA-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671108361 493636638 /nfs/dbraw/zinc/63/66/38/493636638.db2.gz OIDMRNZOYDMIPA-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671122982 493639142 /nfs/dbraw/zinc/63/91/42/493639142.db2.gz XFVJTCZUQXXPHI-OAHLLOKOSA-N 2 1 357.458 0.331 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000671122641 493639382 /nfs/dbraw/zinc/63/93/82/493639382.db2.gz DWLCJJRLMWJZCM-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000671171653 493645060 /nfs/dbraw/zinc/64/50/60/493645060.db2.gz BELMTXDWOYXDJL-KRWDZBQOSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404574 493666620 /nfs/dbraw/zinc/66/66/20/493666620.db2.gz NUKXQTMBTYXDRE-DLBZAZTESA-N 2 1 373.501 0.967 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671404508 493666884 /nfs/dbraw/zinc/66/68/84/493666884.db2.gz BLXBBQVBUKJXIC-QKPAOTATSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671404508 493666885 /nfs/dbraw/zinc/66/68/85/493666885.db2.gz BLXBBQVBUKJXIC-QKPAOTATSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671404508 493666886 /nfs/dbraw/zinc/66/68/86/493666886.db2.gz BLXBBQVBUKJXIC-QKPAOTATSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671404508 493666887 /nfs/dbraw/zinc/66/68/87/493666887.db2.gz BLXBBQVBUKJXIC-QKPAOTATSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H]1O ZINC000664625349 493673287 /nfs/dbraw/zinc/67/32/87/493673287.db2.gz MTPOXKULMYVNFE-BZSNNMDCSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN([C@@H]3CCOC3)CC2)CCCO1 ZINC000664758268 493681837 /nfs/dbraw/zinc/68/18/37/493681837.db2.gz NTPNZPPSBJLQPA-IAGOWNOFSA-N 2 1 354.495 0.603 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679500221 493683171 /nfs/dbraw/zinc/68/31/71/493683171.db2.gz RPKZTKFOLBWARE-DZGCQCFKSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679500221 493683174 /nfs/dbraw/zinc/68/31/74/493683174.db2.gz RPKZTKFOLBWARE-DZGCQCFKSA-N 2 1 354.414 0.949 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509248 493685184 /nfs/dbraw/zinc/68/51/84/493685184.db2.gz BHOKZCVPBCQBLT-IUODEOHRSA-N 2 1 354.414 0.805 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509248 493685187 /nfs/dbraw/zinc/68/51/87/493685187.db2.gz BHOKZCVPBCQBLT-IUODEOHRSA-N 2 1 354.414 0.805 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000671960563 493718618 /nfs/dbraw/zinc/71/86/18/493718618.db2.gz GMCDLJIZFBQHPD-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556081 493723132 /nfs/dbraw/zinc/72/31/32/493723132.db2.gz QJKXWOMSLANYDO-JKSUJKDBSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556081 493723135 /nfs/dbraw/zinc/72/31/35/493723135.db2.gz QJKXWOMSLANYDO-JKSUJKDBSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556081 493723138 /nfs/dbraw/zinc/72/31/38/493723138.db2.gz QJKXWOMSLANYDO-JKSUJKDBSA-N 2 1 365.522 0.807 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@H]2C1 ZINC000672241721 493745765 /nfs/dbraw/zinc/74/57/65/493745765.db2.gz KSBBUXNTLWNFNE-RYUDHWBXSA-N 2 1 373.379 0.614 20 0 FCADMP CN1CC[C@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@H]2C1 ZINC000672241721 493745768 /nfs/dbraw/zinc/74/57/68/493745768.db2.gz KSBBUXNTLWNFNE-RYUDHWBXSA-N 2 1 373.379 0.614 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672305134 493752173 /nfs/dbraw/zinc/75/21/73/493752173.db2.gz CTXAJDWIJIGPOM-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672305134 493752175 /nfs/dbraw/zinc/75/21/75/493752175.db2.gz CTXAJDWIJIGPOM-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305134 493752178 /nfs/dbraw/zinc/75/21/78/493752178.db2.gz CTXAJDWIJIGPOM-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000672311501 493755269 /nfs/dbraw/zinc/75/52/69/493755269.db2.gz FFSRBFHZZIQAGE-UAGQMJEPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C ZINC000672311501 493755270 /nfs/dbraw/zinc/75/52/70/493755270.db2.gz FFSRBFHZZIQAGE-UAGQMJEPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C ZINC000672311501 493755271 /nfs/dbraw/zinc/75/52/71/493755271.db2.gz FFSRBFHZZIQAGE-UAGQMJEPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410472489 534020528 /nfs/dbraw/zinc/02/05/28/534020528.db2.gz HKYXBVZEMGYSGN-OAHLLOKOSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410472489 534020538 /nfs/dbraw/zinc/02/05/38/534020538.db2.gz HKYXBVZEMGYSGN-OAHLLOKOSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410937992 534456954 /nfs/dbraw/zinc/45/69/54/534456954.db2.gz MMOXFVWGNNHALR-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410937992 534456959 /nfs/dbraw/zinc/45/69/59/534456959.db2.gz MMOXFVWGNNHALR-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[C@H](C)O1 ZINC000187300586 534467853 /nfs/dbraw/zinc/46/78/53/534467853.db2.gz MATMBKGSJXIWLS-ZACQAIPSSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[C@H](C)O1 ZINC000187300586 534467858 /nfs/dbraw/zinc/46/78/58/534467858.db2.gz MATMBKGSJXIWLS-ZACQAIPSSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[C@H](C)O1 ZINC000187300586 534467862 /nfs/dbraw/zinc/46/78/62/534467862.db2.gz MATMBKGSJXIWLS-ZACQAIPSSA-N 2 1 370.538 0.972 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@@H]1C ZINC000410728071 527743699 /nfs/dbraw/zinc/74/36/99/527743699.db2.gz COPFCBHLZIUHKT-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@@H]1C ZINC000410728071 527743707 /nfs/dbraw/zinc/74/37/07/527743707.db2.gz COPFCBHLZIUHKT-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000410431100 527802616 /nfs/dbraw/zinc/80/26/16/527802616.db2.gz GSCNZDZEOWYNKL-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000410494962 527805580 /nfs/dbraw/zinc/80/55/80/527805580.db2.gz UBDDVXZZYHRWTJ-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724986 527818689 /nfs/dbraw/zinc/81/86/89/527818689.db2.gz MIGRMKHRFJDAFX-NCOADZHNSA-N 2 1 368.522 0.231 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724986 527818693 /nfs/dbraw/zinc/81/86/93/527818693.db2.gz MIGRMKHRFJDAFX-NCOADZHNSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724986 527818695 /nfs/dbraw/zinc/81/86/95/527818695.db2.gz MIGRMKHRFJDAFX-NCOADZHNSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H]1C ZINC000410724986 527818696 /nfs/dbraw/zinc/81/86/96/527818696.db2.gz MIGRMKHRFJDAFX-NCOADZHNSA-N 2 1 368.522 0.231 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845233 527823960 /nfs/dbraw/zinc/82/39/60/527823960.db2.gz QMQVWNMIESDFTK-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410845233 527823963 /nfs/dbraw/zinc/82/39/63/527823963.db2.gz QMQVWNMIESDFTK-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410845233 527823966 /nfs/dbraw/zinc/82/39/66/527823966.db2.gz QMQVWNMIESDFTK-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410946141 527891070 /nfs/dbraw/zinc/89/10/70/527891070.db2.gz PAUHQAAKJBZJLD-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000410945931 527891633 /nfs/dbraw/zinc/89/16/33/527891633.db2.gz ONPPYLUKEYESLN-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410945931 527891636 /nfs/dbraw/zinc/89/16/36/527891636.db2.gz ONPPYLUKEYESLN-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410945931 527891641 /nfs/dbraw/zinc/89/16/41/527891641.db2.gz ONPPYLUKEYESLN-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H]1C ZINC000410700044 527962508 /nfs/dbraw/zinc/96/25/08/527962508.db2.gz IVYNAQTVVVZQFK-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H]1C ZINC000410700044 527962509 /nfs/dbraw/zinc/96/25/09/527962509.db2.gz IVYNAQTVVVZQFK-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H]1C ZINC000410700044 527962510 /nfs/dbraw/zinc/96/25/10/527962510.db2.gz IVYNAQTVVVZQFK-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H]1C ZINC000410700044 527962511 /nfs/dbraw/zinc/96/25/11/527962511.db2.gz IVYNAQTVVVZQFK-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000411027613 529059573 /nfs/dbraw/zinc/05/95/73/529059573.db2.gz OVASTLAAWKZIOJ-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000410534803 529225946 /nfs/dbraw/zinc/22/59/46/529225946.db2.gz NOXHHYRCBHXOMD-QGZVFWFLSA-N 2 1 370.538 0.479 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000410437479 529350879 /nfs/dbraw/zinc/35/08/79/529350879.db2.gz SPFOFDVBZBOHKC-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414665774 535109789 /nfs/dbraw/zinc/10/97/89/535109789.db2.gz VXTWLRHIKAIMOI-SFHVURJKSA-N 2 1 374.485 0.744 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419131304 535200686 /nfs/dbraw/zinc/20/06/86/535200686.db2.gz CJAXXIFFFVWXIU-ZDUSSCGKSA-N 2 1 352.504 0.930 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639972 535207736 /nfs/dbraw/zinc/20/77/36/535207736.db2.gz VXDYEFBLSCONID-CHWSQXEVSA-N 2 1 352.401 0.048 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419756987 535296654 /nfs/dbraw/zinc/29/66/54/535296654.db2.gz BXJLEFSPQKXVPR-DLBZAZTESA-N 2 1 364.465 0.927 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000419966619 535305397 /nfs/dbraw/zinc/30/53/97/535305397.db2.gz YTOJQUNKIKTUAQ-HUUCEWRRSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414914450 535306328 /nfs/dbraw/zinc/30/63/28/535306328.db2.gz ONUAVCSWWQHPNF-UHFFFAOYSA-N 2 1 360.458 0.186 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423515997 535425337 /nfs/dbraw/zinc/42/53/37/535425337.db2.gz AJPCXJPPPDPRED-HRCADAONSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423515997 535425340 /nfs/dbraw/zinc/42/53/40/535425340.db2.gz AJPCXJPPPDPRED-HRCADAONSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423528993 535425447 /nfs/dbraw/zinc/42/54/47/535425447.db2.gz PLYPYHVCMOGRMX-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423528993 535425449 /nfs/dbraw/zinc/42/54/49/535425449.db2.gz PLYPYHVCMOGRMX-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935709 535551626 /nfs/dbraw/zinc/55/16/26/535551626.db2.gz ASHFIDWAAJEICT-GVDBMIGSSA-N 2 1 350.507 0.953 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1=O ZINC000442618075 535551995 /nfs/dbraw/zinc/55/19/95/535551995.db2.gz NXHXBPXXHNTWBS-GVDBMIGSSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860233 535597366 /nfs/dbraw/zinc/59/73/66/535597366.db2.gz KRCWEYSHQZYXNF-ROUUACIJSA-N 2 1 373.501 0.748 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419779714 536349926 /nfs/dbraw/zinc/34/99/26/536349926.db2.gz PQMOOVCXRNAJID-INIZCTEOSA-N 2 1 368.522 0.579 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503873 536368022 /nfs/dbraw/zinc/36/80/22/536368022.db2.gz INXXIYVVUIJYTP-DLBZAZTESA-N 2 1 373.501 0.134 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423684193 536399835 /nfs/dbraw/zinc/39/98/35/536399835.db2.gz QZXRDNJWYJEMEY-RTBURBONSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423684193 536399837 /nfs/dbraw/zinc/39/98/37/536399837.db2.gz QZXRDNJWYJEMEY-RTBURBONSA-N 2 1 372.513 0.959 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419152547 536417208 /nfs/dbraw/zinc/41/72/08/536417208.db2.gz ONSOEZFPFCUGDD-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890989 536433193 /nfs/dbraw/zinc/43/31/93/536433193.db2.gz JEWLJOXTTGNBQA-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419878212 536433730 /nfs/dbraw/zinc/43/37/30/536433730.db2.gz YSEBXFDBXIIFJV-WMZOPIPTSA-N 2 1 358.486 0.820 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423307355 536449027 /nfs/dbraw/zinc/44/90/27/536449027.db2.gz MZQIXRCMWMHJPP-MSOLQXFVSA-N 2 1 374.485 0.153 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419757788 536481067 /nfs/dbraw/zinc/48/10/67/536481067.db2.gz DCZVMSZNVOINJK-ROUUACIJSA-N 2 1 358.486 0.867 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000433406292 546921615 /nfs/dbraw/zinc/92/16/15/546921615.db2.gz NNKDUJADXWJFAE-RBSFLKMASA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@H+]1C[C@@H](C)O ZINC000433406292 546921618 /nfs/dbraw/zinc/92/16/18/546921618.db2.gz NNKDUJADXWJFAE-RBSFLKMASA-N 2 1 350.467 0.120 20 0 FCADMP COC[C@@]1(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800258 546959635 /nfs/dbraw/zinc/95/96/35/546959635.db2.gz AYMWYGDFBCASOR-WMZOPIPTSA-N 2 1 353.511 0.176 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574187 547041195 /nfs/dbraw/zinc/04/11/95/547041195.db2.gz LDKBMPWQRSTOEI-RDTXWAMCSA-N 2 1 355.479 0.223 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574187 547041196 /nfs/dbraw/zinc/04/11/96/547041196.db2.gz LDKBMPWQRSTOEI-RDTXWAMCSA-N 2 1 355.479 0.223 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000549936479 547075288 /nfs/dbraw/zinc/07/52/88/547075288.db2.gz WKYQZWICOQYDPV-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000550329695 547083053 /nfs/dbraw/zinc/08/30/53/547083053.db2.gz GYNPDJDOMORWFJ-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000550502465 547089608 /nfs/dbraw/zinc/08/96/08/547089608.db2.gz PCACTTPMZFIIDD-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835717 547109799 /nfs/dbraw/zinc/10/97/99/547109799.db2.gz MCTBGMKJPCQISV-QAPCUYQASA-N 2 1 370.563 0.777 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903877 547114281 /nfs/dbraw/zinc/11/42/81/547114281.db2.gz LARHLENHJVOUFE-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550903877 547114286 /nfs/dbraw/zinc/11/42/86/547114286.db2.gz LARHLENHJVOUFE-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550903877 547114293 /nfs/dbraw/zinc/11/42/93/547114293.db2.gz LARHLENHJVOUFE-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550907869 547114354 /nfs/dbraw/zinc/11/43/54/547114354.db2.gz DQCQHUIYLMMSIA-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000551490138 547148135 /nfs/dbraw/zinc/14/81/35/547148135.db2.gz LLFSLLYHRQSTBD-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000552364060 547204978 /nfs/dbraw/zinc/20/49/78/547204978.db2.gz UBCNKMBHNMQVDN-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000552538601 547215296 /nfs/dbraw/zinc/21/52/96/547215296.db2.gz HGZLTBDBYNWYAP-HNNXBMFYSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000552623014 547219695 /nfs/dbraw/zinc/21/96/95/547219695.db2.gz WRUIBJBZIMESHF-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000553267514 547265110 /nfs/dbraw/zinc/26/51/10/547265110.db2.gz XIIFWIGWMIJFHR-AWEZNQCLSA-N 2 1 354.495 0.202 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000553279675 547266423 /nfs/dbraw/zinc/26/64/23/547266423.db2.gz CFKOECUPCODZJO-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000553394426 547275421 /nfs/dbraw/zinc/27/54/21/547275421.db2.gz OVULHAYNLXWCNG-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000553394426 547275422 /nfs/dbraw/zinc/27/54/22/547275422.db2.gz OVULHAYNLXWCNG-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000553394426 547275427 /nfs/dbraw/zinc/27/54/27/547275427.db2.gz OVULHAYNLXWCNG-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)nc1C ZINC000553480081 547282388 /nfs/dbraw/zinc/28/23/88/547282388.db2.gz ZKXHFYCAPVVYAF-OAHLLOKOSA-N 2 1 357.524 0.765 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C ZINC000950248441 674423567 /nfs/dbraw/zinc/42/35/67/674423567.db2.gz XHZQNVZXXULCCP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC000950248441 674423569 /nfs/dbraw/zinc/42/35/69/674423569.db2.gz XHZQNVZXXULCCP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC000950248441 674423572 /nfs/dbraw/zinc/42/35/72/674423572.db2.gz XHZQNVZXXULCCP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCCC1 ZINC000735711270 598521242 /nfs/dbraw/zinc/52/12/42/598521242.db2.gz XOJQHVKBCKXZLG-DZGCQCFKSA-N 2 1 359.482 0.815 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000950800663 674439374 /nfs/dbraw/zinc/43/93/74/674439374.db2.gz QYLUZHQXVBUPHM-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000954412420 674496692 /nfs/dbraw/zinc/49/66/92/674496692.db2.gz HXQRXJOOKJRBTG-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000954412420 674496695 /nfs/dbraw/zinc/49/66/95/674496695.db2.gz HXQRXJOOKJRBTG-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000954412420 674496698 /nfs/dbraw/zinc/49/66/98/674496698.db2.gz HXQRXJOOKJRBTG-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC[N@H+]1C ZINC000954413346 674497052 /nfs/dbraw/zinc/49/70/52/674497052.db2.gz ZMLNWKFKNMXKKQ-GVDBMIGSSA-N 2 1 352.523 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000955110046 674509315 /nfs/dbraw/zinc/50/93/15/674509315.db2.gz KITOFSHGVAXHCU-NVXWUHKLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825453507 607718897 /nfs/dbraw/zinc/71/88/97/607718897.db2.gz VJEQCVFFNUCMJB-CYBMUJFWSA-N 2 1 360.466 0.683 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623747 606926299 /nfs/dbraw/zinc/92/62/99/606926299.db2.gz ROQLDWPROQOYMW-ROUUACIJSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623747 606926301 /nfs/dbraw/zinc/92/63/01/606926301.db2.gz ROQLDWPROQOYMW-ROUUACIJSA-N 2 1 371.489 0.612 20 0 FCADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826505786 608383029 /nfs/dbraw/zinc/38/30/29/608383029.db2.gz FMKWBAVMWVNPIT-UHFFFAOYSA-N 2 1 358.446 0.526 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000729617307 665736411 /nfs/dbraw/zinc/73/64/11/665736411.db2.gz ABEFYFGEEAKZFX-QBPKDAKJSA-N 2 1 352.479 0.090 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778905 665772162 /nfs/dbraw/zinc/77/21/62/665772162.db2.gz JBXOVKYSYDAKDJ-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000897778905 665772164 /nfs/dbraw/zinc/77/21/64/665772164.db2.gz JBXOVKYSYDAKDJ-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000897778905 665772168 /nfs/dbraw/zinc/77/21/68/665772168.db2.gz JBXOVKYSYDAKDJ-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001021263262 663279538 /nfs/dbraw/zinc/27/95/38/663279538.db2.gz NAZUYVKAYIORCG-LDBYLJPUSA-N 2 1 371.547 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001021263262 663279539 /nfs/dbraw/zinc/27/95/39/663279539.db2.gz NAZUYVKAYIORCG-LDBYLJPUSA-N 2 1 371.547 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001021263262 663279540 /nfs/dbraw/zinc/27/95/40/663279540.db2.gz NAZUYVKAYIORCG-LDBYLJPUSA-N 2 1 371.547 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001021263262 663279542 /nfs/dbraw/zinc/27/95/42/663279542.db2.gz NAZUYVKAYIORCG-LDBYLJPUSA-N 2 1 371.547 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)CC[N@H+]1C ZINC001022109709 663405865 /nfs/dbraw/zinc/40/58/65/663405865.db2.gz RPDUTZCDZZZPRW-DMRKSPOLSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022109406 663406110 /nfs/dbraw/zinc/40/61/10/663406110.db2.gz MKWWFBIWISQGMY-UHDSXZAQSA-N 2 1 371.547 0.778 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891480309 663408722 /nfs/dbraw/zinc/40/87/22/663408722.db2.gz AYIJSFKKDOZBOY-HDMKZQKVSA-N 2 1 351.495 0.513 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891480313 663408906 /nfs/dbraw/zinc/40/89/06/663408906.db2.gz AYIJSFKKDOZBOY-RLFYNMQTSA-N 2 1 351.495 0.513 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891484329 663409132 /nfs/dbraw/zinc/40/91/32/663409132.db2.gz UPXBQRWFUSNTRC-HOTGVXAUSA-N 2 1 353.511 0.842 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559640 663415456 /nfs/dbraw/zinc/41/54/56/663415456.db2.gz GSYOXMXGXLXXMB-ZIAGYGMSSA-N 2 1 359.465 0.699 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559640 663415457 /nfs/dbraw/zinc/41/54/57/663415457.db2.gz GSYOXMXGXLXXMB-ZIAGYGMSSA-N 2 1 359.465 0.699 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000891600570 663417851 /nfs/dbraw/zinc/41/78/51/663417851.db2.gz CRVIVRPTAZKAGO-MCIONIFRSA-N 2 1 365.444 0.649 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC000891698604 663429101 /nfs/dbraw/zinc/42/91/01/663429101.db2.gz HVZCNVOJCRNBTQ-GASCZTMLSA-N 2 1 356.511 0.630 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC000891698604 663429103 /nfs/dbraw/zinc/42/91/03/663429103.db2.gz HVZCNVOJCRNBTQ-GASCZTMLSA-N 2 1 356.511 0.630 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000933848608 663444738 /nfs/dbraw/zinc/44/47/38/663444738.db2.gz PPYZTQMVJFUPQY-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000891880951 663446016 /nfs/dbraw/zinc/44/60/16/663446016.db2.gz QCLBUFFIEWLKTC-CHWSQXEVSA-N 2 1 365.444 0.791 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000891903656 663448151 /nfs/dbraw/zinc/44/81/51/663448151.db2.gz PILRSBMETUBVGQ-UHFFFAOYSA-N 2 1 355.527 0.160 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891952503 663454127 /nfs/dbraw/zinc/45/41/27/663454127.db2.gz IDNMNODXBLDPEW-HZPDHXFCSA-N 2 1 352.479 0.404 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892072976 663473193 /nfs/dbraw/zinc/47/31/93/663473193.db2.gz WOAKHOOWPOUEBT-QGZVFWFLSA-N 2 1 351.495 0.002 20 0 FCADMP [NH3+]CCCCCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892212025 663492598 /nfs/dbraw/zinc/49/25/98/663492598.db2.gz OYSQKPOKUGEWHI-QGZVFWFLSA-N 2 1 355.527 0.601 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000888982369 663531252 /nfs/dbraw/zinc/53/12/52/663531252.db2.gz PKSOVKCASPHODQ-UHFFFAOYSA-N 2 1 353.555 0.498 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CC2CCC2)CCO3)O1 ZINC000972430846 663533021 /nfs/dbraw/zinc/53/30/21/663533021.db2.gz LFOJBUCMXQXAER-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CC2CCC2)CCO3)O1 ZINC000972430846 663533024 /nfs/dbraw/zinc/53/30/24/663533024.db2.gz LFOJBUCMXQXAER-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CC2CCC2)CCO3)O1 ZINC000972430846 663533027 /nfs/dbraw/zinc/53/30/27/663533027.db2.gz LFOJBUCMXQXAER-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CC2CCC2)CCO3)O1 ZINC000972430846 663533029 /nfs/dbraw/zinc/53/30/29/663533029.db2.gz LFOJBUCMXQXAER-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP CN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+](C)CC1 ZINC000888983552 663549456 /nfs/dbraw/zinc/54/94/56/663549456.db2.gz HJMHAEDIIQPSNZ-KRWDZBQOSA-N 2 1 354.564 0.910 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892336032 663574635 /nfs/dbraw/zinc/57/46/35/663574635.db2.gz YKNSQCPOSRGQBJ-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001023377658 663620257 /nfs/dbraw/zinc/62/02/57/663620257.db2.gz SNWCVMPCTNHSSG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001023377658 663620259 /nfs/dbraw/zinc/62/02/59/663620259.db2.gz SNWCVMPCTNHSSG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001023377658 663620260 /nfs/dbraw/zinc/62/02/60/663620260.db2.gz SNWCVMPCTNHSSG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024039609 663868202 /nfs/dbraw/zinc/86/82/02/663868202.db2.gz ZPJPRPLVDHPPFB-BPLDGKMQSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024039609 663868205 /nfs/dbraw/zinc/86/82/05/663868205.db2.gz ZPJPRPLVDHPPFB-BPLDGKMQSA-N 2 1 367.519 0.894 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000892758054 664137511 /nfs/dbraw/zinc/13/75/11/664137511.db2.gz GWTNHTDGQWAKTE-HOTGVXAUSA-N 2 1 354.495 0.291 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892820856 664146566 /nfs/dbraw/zinc/14/65/66/664146566.db2.gz WRONKVPUKAXYMP-WCXIOVBPSA-N 2 1 352.479 0.090 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000892925818 664155075 /nfs/dbraw/zinc/15/50/75/664155075.db2.gz HAGVWOHJFOKKHR-UHFFFAOYSA-N 2 1 365.499 0.745 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818296 664195282 /nfs/dbraw/zinc/19/52/82/664195282.db2.gz NKRWCKUNCDSIKC-VRXFMZDNSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818296 664195285 /nfs/dbraw/zinc/19/52/85/664195285.db2.gz NKRWCKUNCDSIKC-VRXFMZDNSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818296 664195287 /nfs/dbraw/zinc/19/52/87/664195287.db2.gz NKRWCKUNCDSIKC-VRXFMZDNSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818296 664195290 /nfs/dbraw/zinc/19/52/90/664195290.db2.gz NKRWCKUNCDSIKC-VRXFMZDNSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818296 664195293 /nfs/dbraw/zinc/19/52/93/664195293.db2.gz NKRWCKUNCDSIKC-VRXFMZDNSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052221 664202092 /nfs/dbraw/zinc/20/20/92/664202092.db2.gz DKPSVRDSXNKGLT-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052221 664202094 /nfs/dbraw/zinc/20/20/94/664202094.db2.gz DKPSVRDSXNKGLT-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052221 664202096 /nfs/dbraw/zinc/20/20/96/664202096.db2.gz DKPSVRDSXNKGLT-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000974193084 664227872 /nfs/dbraw/zinc/22/78/72/664227872.db2.gz YDITZKVUEBQRNP-NNXHMXCWSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000974193084 664227874 /nfs/dbraw/zinc/22/78/74/664227874.db2.gz YDITZKVUEBQRNP-NNXHMXCWSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000974193084 664227876 /nfs/dbraw/zinc/22/78/76/664227876.db2.gz YDITZKVUEBQRNP-NNXHMXCWSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)CC[N@H+]1C ZINC000974589367 664266051 /nfs/dbraw/zinc/26/60/51/664266051.db2.gz UOTLAQGPJOPVHN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)CC2(C)C)CC[NH+]1C ZINC000974589367 664266055 /nfs/dbraw/zinc/26/60/55/664266055.db2.gz UOTLAQGPJOPVHN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)CC2(C)C)CC[NH+]1C ZINC000974589367 664266059 /nfs/dbraw/zinc/26/60/59/664266059.db2.gz UOTLAQGPJOPVHN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026916663 664277007 /nfs/dbraw/zinc/27/70/07/664277007.db2.gz LQWSAPNMZRLYQB-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026916663 664277008 /nfs/dbraw/zinc/27/70/08/664277008.db2.gz LQWSAPNMZRLYQB-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000976595458 664390586 /nfs/dbraw/zinc/39/05/86/664390586.db2.gz KIFWTIBDABSPRV-FFRIZKCHSA-N 2 1 350.507 0.486 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC000976609517 664392094 /nfs/dbraw/zinc/39/20/94/664392094.db2.gz NNALZEKTLLRSRF-ZDGDKENJSA-N 2 1 350.507 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001027891851 664472157 /nfs/dbraw/zinc/47/21/57/664472157.db2.gz JBJPTEURGVVTKJ-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001027891851 664472160 /nfs/dbraw/zinc/47/21/60/664472160.db2.gz JBJPTEURGVVTKJ-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001027891851 664472162 /nfs/dbraw/zinc/47/21/62/664472162.db2.gz JBJPTEURGVVTKJ-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001027891851 664472164 /nfs/dbraw/zinc/47/21/64/664472164.db2.gz JBJPTEURGVVTKJ-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001028551011 664901624 /nfs/dbraw/zinc/90/16/24/664901624.db2.gz XJEBVSMREWJLAD-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001028551011 664901625 /nfs/dbraw/zinc/90/16/25/664901625.db2.gz XJEBVSMREWJLAD-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001028551011 664901628 /nfs/dbraw/zinc/90/16/28/664901628.db2.gz XJEBVSMREWJLAD-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000894163737 664902078 /nfs/dbraw/zinc/90/20/78/664902078.db2.gz GQGNDYMXDOYLGB-IAGOWNOFSA-N 2 1 356.511 0.585 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629997 664931156 /nfs/dbraw/zinc/93/11/56/664931156.db2.gz WFCJZKLYTSTGCT-IIAWOOMASA-N 2 1 369.897 0.694 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629997 664931157 /nfs/dbraw/zinc/93/11/57/664931157.db2.gz WFCJZKLYTSTGCT-IIAWOOMASA-N 2 1 369.897 0.694 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629997 664931159 /nfs/dbraw/zinc/93/11/59/664931159.db2.gz WFCJZKLYTSTGCT-IIAWOOMASA-N 2 1 369.897 0.694 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001028629997 664931160 /nfs/dbraw/zinc/93/11/60/664931160.db2.gz WFCJZKLYTSTGCT-IIAWOOMASA-N 2 1 369.897 0.694 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261939572 664958175 /nfs/dbraw/zinc/95/81/75/664958175.db2.gz KJJLEFSHBXQHKZ-HOCLYGCPSA-N 2 1 352.866 0.912 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984016834 665013655 /nfs/dbraw/zinc/01/36/55/665013655.db2.gz VLZRBQDQVUSOIP-KBUPBQIOSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984016834 665013658 /nfs/dbraw/zinc/01/36/58/665013658.db2.gz VLZRBQDQVUSOIP-KBUPBQIOSA-N 2 1 350.467 0.002 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727084473 665024391 /nfs/dbraw/zinc/02/43/91/665024391.db2.gz DTLWNSSRYGBZIP-HNNXBMFYSA-N 2 1 371.595 0.981 20 0 FCADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895297225 665036218 /nfs/dbraw/zinc/03/62/18/665036218.db2.gz ALLVFUCNUKNTRW-HOTGVXAUSA-N 2 1 352.479 0.213 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895297225 665036223 /nfs/dbraw/zinc/03/62/23/665036223.db2.gz ALLVFUCNUKNTRW-HOTGVXAUSA-N 2 1 352.479 0.213 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000895730541 665057943 /nfs/dbraw/zinc/05/79/43/665057943.db2.gz BBWUDMMSNWCNCV-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000895730541 665057946 /nfs/dbraw/zinc/05/79/46/665057946.db2.gz BBWUDMMSNWCNCV-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984895705 665113849 /nfs/dbraw/zinc/11/38/49/665113849.db2.gz NNBINMVQOSPUAH-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000984898865 665114457 /nfs/dbraw/zinc/11/44/57/665114457.db2.gz TUUTVJAVOCEIHQ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029768377 665172000 /nfs/dbraw/zinc/17/20/00/665172000.db2.gz MQJBTLZCXSVEKW-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029768377 665172002 /nfs/dbraw/zinc/17/20/02/665172002.db2.gz MQJBTLZCXSVEKW-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029768377 665172005 /nfs/dbraw/zinc/17/20/05/665172005.db2.gz MQJBTLZCXSVEKW-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029768377 665172007 /nfs/dbraw/zinc/17/20/07/665172007.db2.gz MQJBTLZCXSVEKW-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987464022 665255272 /nfs/dbraw/zinc/25/52/72/665255272.db2.gz MBHQTVLBARXDNU-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000987469384 665255733 /nfs/dbraw/zinc/25/57/33/665255733.db2.gz RUGFZAAYIBFABS-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000987469384 665255735 /nfs/dbraw/zinc/25/57/35/665255735.db2.gz RUGFZAAYIBFABS-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000987469384 665255737 /nfs/dbraw/zinc/25/57/37/665255737.db2.gz RUGFZAAYIBFABS-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897433239 665258696 /nfs/dbraw/zinc/25/86/96/665258696.db2.gz SPCFFPCJIRZPOU-INIZCTEOSA-N 2 1 353.511 0.524 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)CC[N@H+]1C ZINC000988107480 665276604 /nfs/dbraw/zinc/27/66/04/665276604.db2.gz TUBCNYVLDMYSKT-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000888169349 665284891 /nfs/dbraw/zinc/28/48/91/665284891.db2.gz HNDPEGRIPHFEAK-CVEARBPZSA-N 2 1 353.511 0.868 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000897441292 665288366 /nfs/dbraw/zinc/28/83/66/665288366.db2.gz BTERQSSTAPMCEO-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000905333447 666019696 /nfs/dbraw/zinc/01/96/96/666019696.db2.gz FAOVZWJNLWKLCX-UHFFFAOYSA-N 2 1 352.504 0.965 20 0 FCADMP C[NH+](C)CCCNC(=S)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905556387 666028044 /nfs/dbraw/zinc/02/80/44/666028044.db2.gz QXMLVALRJPFIHW-MRXNPFEDSA-N 2 1 357.568 0.199 20 0 FCADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)c2cccs2)CC1 ZINC000905874596 666040329 /nfs/dbraw/zinc/04/03/29/666040329.db2.gz ACLRTTHPKJMTKW-LZLYRXPVSA-N 2 1 369.531 0.529 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419160300 674726809 /nfs/dbraw/zinc/72/68/09/674726809.db2.gz YWSHGQKLZSYKKH-QFBILLFUSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000910993628 666302964 /nfs/dbraw/zinc/30/29/64/666302964.db2.gz SZFWZCXLABIVSL-CVEARBPZSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000911113692 666315605 /nfs/dbraw/zinc/31/56/05/666315605.db2.gz RXZWXTLGALYHSL-ZIAGYGMSSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000911113692 666315608 /nfs/dbraw/zinc/31/56/08/666315608.db2.gz RXZWXTLGALYHSL-ZIAGYGMSSA-N 2 1 364.515 0.808 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N(CCO)C2CC[NH+](C)CC2)CC1 ZINC000911942124 666382268 /nfs/dbraw/zinc/38/22/68/666382268.db2.gz LMJSJMGQXSAYNM-UHFFFAOYSA-N 2 1 354.539 0.708 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000912013664 666387911 /nfs/dbraw/zinc/38/79/11/666387911.db2.gz YDVBUBLNBYZRHT-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC000912013664 666387915 /nfs/dbraw/zinc/38/79/15/666387915.db2.gz YDVBUBLNBYZRHT-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000938681396 666477243 /nfs/dbraw/zinc/47/72/43/666477243.db2.gz MEGNFTFMFQQRAW-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000939120997 666502036 /nfs/dbraw/zinc/50/20/36/666502036.db2.gz UYZCPNWWOWAUEM-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000940756303 666561430 /nfs/dbraw/zinc/56/14/30/666561430.db2.gz SSFVTODCOVKLEH-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992316155 666633275 /nfs/dbraw/zinc/63/32/75/666633275.db2.gz AKYKZIVHTATZAZ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992316155 666633278 /nfs/dbraw/zinc/63/32/78/666633278.db2.gz AKYKZIVHTATZAZ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992316155 666633281 /nfs/dbraw/zinc/63/32/81/666633281.db2.gz AKYKZIVHTATZAZ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000948386059 666688668 /nfs/dbraw/zinc/68/86/68/666688668.db2.gz SHYCTJQDTPKDGF-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000948386059 666688670 /nfs/dbraw/zinc/68/86/70/666688670.db2.gz SHYCTJQDTPKDGF-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC000948386059 666688672 /nfs/dbraw/zinc/68/86/72/666688672.db2.gz SHYCTJQDTPKDGF-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC000948386059 666688673 /nfs/dbraw/zinc/68/86/73/666688673.db2.gz SHYCTJQDTPKDGF-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=S)NCC[NH+](C)C)CC2)CC1 ZINC000731162956 666808381 /nfs/dbraw/zinc/80/83/81/666808381.db2.gz SYJMZBWCPQAITD-UHFFFAOYSA-N 2 1 369.579 0.689 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000944529706 666848167 /nfs/dbraw/zinc/84/81/67/666848167.db2.gz XJWVEWWAYVZYID-FPCVCCKLSA-N 2 1 354.495 0.009 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)c1nc(CNC(=O)[C@H]2CC[NH+](C)C2)cs1 ZINC000732911752 666909715 /nfs/dbraw/zinc/90/97/15/666909715.db2.gz GWIZWIQAXVXVAA-QWHCGFSZSA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC000732911752 666909717 /nfs/dbraw/zinc/90/97/17/666909717.db2.gz GWIZWIQAXVXVAA-QWHCGFSZSA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC000732911752 666909719 /nfs/dbraw/zinc/90/97/19/666909719.db2.gz GWIZWIQAXVXVAA-QWHCGFSZSA-N 2 1 365.503 0.626 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994031513 666959067 /nfs/dbraw/zinc/95/90/67/666959067.db2.gz IJTRVLUHWSLAAJ-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCOCC1 ZINC000918666340 667130497 /nfs/dbraw/zinc/13/04/97/667130497.db2.gz PLRDONNJDUJAFP-INIZCTEOSA-N 2 1 354.495 0.650 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000997793590 667176392 /nfs/dbraw/zinc/17/63/92/667176392.db2.gz RNZYKDCEOWWLNW-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001001889671 667513961 /nfs/dbraw/zinc/51/39/61/667513961.db2.gz QYAVVQQVGWNEEW-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001001889671 667513965 /nfs/dbraw/zinc/51/39/65/667513965.db2.gz QYAVVQQVGWNEEW-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@H+]1C ZINC001002245695 667526232 /nfs/dbraw/zinc/52/62/32/667526232.db2.gz ICWRUFQKSQLVJP-MXASKKJJSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001002245695 667526236 /nfs/dbraw/zinc/52/62/36/667526236.db2.gz ICWRUFQKSQLVJP-MXASKKJJSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001002245695 667526239 /nfs/dbraw/zinc/52/62/39/667526239.db2.gz ICWRUFQKSQLVJP-MXASKKJJSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001002249387 667526857 /nfs/dbraw/zinc/52/68/57/667526857.db2.gz ZFFTYOQYVYVOSA-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001002249387 667526861 /nfs/dbraw/zinc/52/68/61/667526861.db2.gz ZFFTYOQYVYVOSA-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001002249387 667526863 /nfs/dbraw/zinc/52/68/63/667526863.db2.gz ZFFTYOQYVYVOSA-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC001002262069 667527686 /nfs/dbraw/zinc/52/76/86/667527686.db2.gz BYBFSZVFXMJHMX-GVDBMIGSSA-N 2 1 350.507 0.632 20 0 FCADMP Cn1cc(C[NH2+]CCOCC[NH+](C)C)c(I)n1 ZINC000922007140 667565324 /nfs/dbraw/zinc/56/53/24/667565324.db2.gz HHTFWUSXSKNRID-UHFFFAOYSA-N 2 1 352.220 0.693 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001002859938 667572427 /nfs/dbraw/zinc/57/24/27/667572427.db2.gz VQNVOVWBZOSDMZ-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001002859938 667572428 /nfs/dbraw/zinc/57/24/28/667572428.db2.gz VQNVOVWBZOSDMZ-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](C3CCOCC3)C1)C2=O ZINC000754781421 667610472 /nfs/dbraw/zinc/61/04/72/667610472.db2.gz DFCMSMHSUYLKKA-OAHLLOKOSA-N 2 1 350.463 0.709 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC(N)=O)CC2)CC[N@H+]1C ZINC001004450615 667687218 /nfs/dbraw/zinc/68/72/18/667687218.db2.gz NNTBOTRGXPUURV-BBWFWOEESA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)CC[NH+]1C ZINC001004450615 667687221 /nfs/dbraw/zinc/68/72/21/667687221.db2.gz NNTBOTRGXPUURV-BBWFWOEESA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC(N)=O)CC2)CC[NH+]1C ZINC001004450615 667687223 /nfs/dbraw/zinc/68/72/23/667687223.db2.gz NNTBOTRGXPUURV-BBWFWOEESA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000946804296 667728590 /nfs/dbraw/zinc/72/85/90/667728590.db2.gz JBLOIGMUFHREJA-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001005416632 667740862 /nfs/dbraw/zinc/74/08/62/667740862.db2.gz WBOYZPWQHSWYAZ-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001005416632 667740864 /nfs/dbraw/zinc/74/08/64/667740864.db2.gz WBOYZPWQHSWYAZ-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001034217807 667749852 /nfs/dbraw/zinc/74/98/52/667749852.db2.gz VINUYZMUATURFZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001034217807 667749857 /nfs/dbraw/zinc/74/98/57/667749857.db2.gz VINUYZMUATURFZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001034217807 667749864 /nfs/dbraw/zinc/74/98/64/667749864.db2.gz VINUYZMUATURFZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](C[C@@H]4CCOC4)C3)CC2)O1 ZINC001035733699 667789923 /nfs/dbraw/zinc/78/99/23/667789923.db2.gz WZAKIWAPLNXNHZ-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](C[C@@H]4CCOC4)C3)CC2)O1 ZINC001035733699 667789930 /nfs/dbraw/zinc/78/99/30/667789930.db2.gz WZAKIWAPLNXNHZ-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000923287685 667822591 /nfs/dbraw/zinc/82/25/91/667822591.db2.gz VTFDWQICQXWVOL-KRWDZBQOSA-N 2 1 350.463 0.222 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)NC1CCCCC1 ZINC000923324678 667825594 /nfs/dbraw/zinc/82/55/94/667825594.db2.gz YYJRUTKHKKFMSG-KRWDZBQOSA-N 2 1 350.507 0.431 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380565 667829319 /nfs/dbraw/zinc/82/93/19/667829319.db2.gz OXMHDHFMLIEOAJ-ZACQAIPSSA-N 2 1 354.495 0.240 20 0 FCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378448 667829331 /nfs/dbraw/zinc/82/93/31/667829331.db2.gz CKIXSMWVFRDNOY-YESZJQIVSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000946909227 667841625 /nfs/dbraw/zinc/84/16/25/667841625.db2.gz LFDJTMPDQJDNBI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000946909227 667841630 /nfs/dbraw/zinc/84/16/30/667841630.db2.gz LFDJTMPDQJDNBI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000946909227 667841634 /nfs/dbraw/zinc/84/16/34/667841634.db2.gz LFDJTMPDQJDNBI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946909155 667841988 /nfs/dbraw/zinc/84/19/88/667841988.db2.gz ICTRIKGKIGIGLA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000946909155 667841991 /nfs/dbraw/zinc/84/19/91/667841991.db2.gz ICTRIKGKIGIGLA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000946909155 667841992 /nfs/dbraw/zinc/84/19/92/667841992.db2.gz ICTRIKGKIGIGLA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCn1nncc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961991808 674853345 /nfs/dbraw/zinc/85/33/45/674853345.db2.gz TVHYPHKACPDLMM-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1nncc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961991808 674853346 /nfs/dbraw/zinc/85/33/46/674853346.db2.gz TVHYPHKACPDLMM-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000778951953 668400845 /nfs/dbraw/zinc/40/08/45/668400845.db2.gz XVTUGERNCXWTDD-UHFFFAOYSA-N 2 1 354.520 0.446 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@@H]3CCCO3)CC1)C2=O ZINC000783967931 668637950 /nfs/dbraw/zinc/63/79/50/668637950.db2.gz JFRMEIWQNLSSGM-HNNXBMFYSA-N 2 1 350.463 0.851 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCOC[C@@H](C3CCC3)C1)C2=O ZINC000793743062 668947107 /nfs/dbraw/zinc/94/71/07/668947107.db2.gz OFCNDGAWAIHCIQ-HNNXBMFYSA-N 2 1 350.463 0.709 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCOC[C@@H](C3CCC3)C1)C2=O ZINC000793743062 668947112 /nfs/dbraw/zinc/94/71/12/668947112.db2.gz OFCNDGAWAIHCIQ-HNNXBMFYSA-N 2 1 350.463 0.709 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000793738757 668947194 /nfs/dbraw/zinc/94/71/94/668947194.db2.gz UKWBSDDAMXVJKC-MRXNPFEDSA-N 2 1 350.507 0.966 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC(=O)N(C)OC)CC2)CC1 ZINC000817804818 670034793 /nfs/dbraw/zinc/03/47/93/670034793.db2.gz YBRLHHPPEYXWTE-UHFFFAOYSA-N 2 1 355.483 0.208 20 0 FCADMP CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000966001514 675119683 /nfs/dbraw/zinc/11/96/83/675119683.db2.gz FWDWNUBTJVRBFR-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000966001514 675119685 /nfs/dbraw/zinc/11/96/85/675119685.db2.gz FWDWNUBTJVRBFR-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000842050242 670630382 /nfs/dbraw/zinc/63/03/82/670630382.db2.gz RTKTZTHMPYGMJH-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000843247884 670783526 /nfs/dbraw/zinc/78/35/26/670783526.db2.gz FBGRAOKJOHJDRA-IYBDPMFKSA-N 2 1 356.511 0.354 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000843247884 670783529 /nfs/dbraw/zinc/78/35/29/670783529.db2.gz FBGRAOKJOHJDRA-IYBDPMFKSA-N 2 1 356.511 0.354 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968011454 675178041 /nfs/dbraw/zinc/17/80/41/675178041.db2.gz CDMCAZHJAHWWRV-KBRIMQKVSA-N 2 1 350.507 0.726 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000849069820 671316873 /nfs/dbraw/zinc/31/68/73/671316873.db2.gz RIFMJQPVPMVKFZ-UHFFFAOYSA-N 2 1 355.389 0.740 20 0 FCADMP CS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000849088571 671317487 /nfs/dbraw/zinc/31/74/87/671317487.db2.gz NBIUYVYWUFUCDS-UHFFFAOYSA-N 2 1 360.505 0.488 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849100716 671317679 /nfs/dbraw/zinc/31/76/79/671317679.db2.gz VJAHWRMSLDXJCH-AWEZNQCLSA-N 2 1 354.499 0.309 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891930 675906331 /nfs/dbraw/zinc/90/63/31/675906331.db2.gz WMYFTOGEFYKWJL-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891930 675906334 /nfs/dbraw/zinc/90/63/34/675906334.db2.gz WMYFTOGEFYKWJL-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891930 675906337 /nfs/dbraw/zinc/90/63/37/675906337.db2.gz WMYFTOGEFYKWJL-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891930 675906340 /nfs/dbraw/zinc/90/63/40/675906340.db2.gz WMYFTOGEFYKWJL-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000852745921 671523272 /nfs/dbraw/zinc/52/32/72/671523272.db2.gz APQDXRSXTVKVPX-HNNXBMFYSA-N 2 1 352.479 0.751 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509181 675935453 /nfs/dbraw/zinc/93/54/53/675935453.db2.gz CZBWCHUAATXNQX-BMFZPTHFSA-N 2 1 351.495 0.510 20 0 FCADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903718148 675963276 /nfs/dbraw/zinc/96/32/76/675963276.db2.gz HLQGDLXYAVVNCK-MRXNPFEDSA-N 2 1 374.551 0.349 20 0 FCADMP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733099 675965026 /nfs/dbraw/zinc/96/50/26/675965026.db2.gz JQLIACUGTIALHE-PKOBYXMFSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733883 675965064 /nfs/dbraw/zinc/96/50/64/675965064.db2.gz SBYQVKJJSHTATC-DOTOQJQBSA-N 2 1 350.507 0.430 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863834852 672159134 /nfs/dbraw/zinc/15/91/34/672159134.db2.gz NORPVMPZMGMWBU-UONOGXRCSA-N 2 1 358.483 0.014 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)C[C@@H]1C ZINC000864792490 672210776 /nfs/dbraw/zinc/21/07/76/672210776.db2.gz ZMJCLRILKPDJED-OFQRWUPVSA-N 2 1 350.467 0.513 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)C[C@@H]1C ZINC000864792490 672210780 /nfs/dbraw/zinc/21/07/80/672210780.db2.gz ZMJCLRILKPDJED-OFQRWUPVSA-N 2 1 350.467 0.513 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\CN1CCOCC1 ZINC000865088938 672225369 /nfs/dbraw/zinc/22/53/69/672225369.db2.gz KLPGXEGWKSRHNJ-XOWYPZSQSA-N 2 1 352.523 0.749 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000868232711 672389958 /nfs/dbraw/zinc/38/99/58/672389958.db2.gz RZRYPUHQLHDAGG-GOEBONIOSA-N 2 1 372.535 0.231 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC000868285350 672392133 /nfs/dbraw/zinc/39/21/33/672392133.db2.gz IAFVUQOZTJSEAC-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868285526 672392180 /nfs/dbraw/zinc/39/21/80/672392180.db2.gz KDUUXBACSMJZHR-ZBFHGGJFSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868285526 672392181 /nfs/dbraw/zinc/39/21/81/672392181.db2.gz KDUUXBACSMJZHR-ZBFHGGJFSA-N 2 1 351.495 0.275 20 0 FCADMP CCn1[nH]c(C)nc1=NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000888529046 672425654 /nfs/dbraw/zinc/42/56/54/672425654.db2.gz NWFNVHVPLGRMSD-OAHLLOKOSA-N 2 1 351.499 0.908 20 0 FCADMP O=S(=O)(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000923607221 672425868 /nfs/dbraw/zinc/42/58/68/672425868.db2.gz YPKZTUFPMSBNBI-QGZVFWFLSA-N 2 1 352.504 0.291 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622889 672510589 /nfs/dbraw/zinc/51/05/89/672510589.db2.gz TXMFHZRBJAMDFJ-GOSISDBHSA-N 2 1 366.531 0.980 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923629847 672544281 /nfs/dbraw/zinc/54/42/81/672544281.db2.gz IWBLPOVKSNKUAM-CQSZACIVSA-N 2 1 353.492 0.347 20 0 FCADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000872141678 672594098 /nfs/dbraw/zinc/59/40/98/672594098.db2.gz NQLBAJYJPQRGCV-OAHLLOKOSA-N 2 1 359.536 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056426731 676045795 /nfs/dbraw/zinc/04/57/95/676045795.db2.gz LGVIZALQEWQPKP-WCXIOVBPSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001001421701 676071611 /nfs/dbraw/zinc/07/16/11/676071611.db2.gz GGAOPVZOLOADFI-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CN1CC[NH+](CCCNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000876779315 672979692 /nfs/dbraw/zinc/97/96/92/672979692.db2.gz APVQDVLPCLKOTR-UHFFFAOYSA-N 2 1 351.520 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(=O)NC)CC3)CC[N@H+]1C ZINC001050524042 676085552 /nfs/dbraw/zinc/08/55/52/676085552.db2.gz RMWPHKXXGBRQEV-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+](Cc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526657 673017841 /nfs/dbraw/zinc/01/78/41/673017841.db2.gz UVPLERWLTIYHEC-KRWDZBQOSA-N 2 1 366.531 0.934 20 0 FCADMP C[N@@H+](Cc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526657 673017847 /nfs/dbraw/zinc/01/78/47/673017847.db2.gz UVPLERWLTIYHEC-KRWDZBQOSA-N 2 1 366.531 0.934 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC(C)(C)C3)C2)O1 ZINC001051678212 676108320 /nfs/dbraw/zinc/10/83/20/676108320.db2.gz BEXUVJJANUSFEW-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC(C)(C)C3)C2)O1 ZINC001051678212 676108322 /nfs/dbraw/zinc/10/83/22/676108322.db2.gz BEXUVJJANUSFEW-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)O1 ZINC001051678213 676108505 /nfs/dbraw/zinc/10/85/05/676108505.db2.gz BEXUVJJANUSFEW-HYVNUMGLSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)O1 ZINC001051678213 676108508 /nfs/dbraw/zinc/10/85/08/676108508.db2.gz BEXUVJJANUSFEW-HYVNUMGLSA-N 2 1 353.507 0.959 20 0 FCADMP COc1nscc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051625005 676107237 /nfs/dbraw/zinc/10/72/37/676107237.db2.gz WXMSRGPTZHQWCD-VHDGCEQUSA-N 2 1 368.503 0.809 20 0 FCADMP COc1nscc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051625005 676107238 /nfs/dbraw/zinc/10/72/38/676107238.db2.gz WXMSRGPTZHQWCD-VHDGCEQUSA-N 2 1 368.503 0.809 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cn2)CC1 ZINC000883366814 673371890 /nfs/dbraw/zinc/37/18/90/673371890.db2.gz AGBYEOLZYPCDMV-LLVKDONJSA-N 2 1 369.338 0.877 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416440 673374544 /nfs/dbraw/zinc/37/45/44/673374544.db2.gz VBIRJHVYRCIUIH-IAGOWNOFSA-N 2 1 351.491 0.858 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436597 673375576 /nfs/dbraw/zinc/37/55/76/673375576.db2.gz XCMQAIWEUPHEGV-DLBZAZTESA-N 2 1 354.495 0.650 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000883477466 673378592 /nfs/dbraw/zinc/37/85/92/673378592.db2.gz DQKVZBMDPDITNW-KRWDZBQOSA-N 2 1 368.503 0.570 20 0 FCADMP COCC[C@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000884306026 673445236 /nfs/dbraw/zinc/44/52/36/673445236.db2.gz QINSCRFGHPDDQV-KRWDZBQOSA-N 2 1 350.463 0.496 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000884513844 673459075 /nfs/dbraw/zinc/45/90/75/673459075.db2.gz SQDZHRSMOIECCG-STQMWFEESA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000884513844 673459076 /nfs/dbraw/zinc/45/90/76/673459076.db2.gz SQDZHRSMOIECCG-STQMWFEESA-N 2 1 364.412 0.730 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000884522768 673459803 /nfs/dbraw/zinc/45/98/03/673459803.db2.gz HOHISSFOJAHNIK-GFCCVEGCSA-N 2 1 352.504 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000884522768 673459808 /nfs/dbraw/zinc/45/98/08/673459808.db2.gz HOHISSFOJAHNIK-GFCCVEGCSA-N 2 1 352.504 0.855 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884576177 673463183 /nfs/dbraw/zinc/46/31/83/673463183.db2.gz BKBHGEZIMFDPQI-VQIMIIECSA-N 2 1 350.507 0.827 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884616924 673466328 /nfs/dbraw/zinc/46/63/28/673466328.db2.gz FENKXIMUXJPGQV-APWZRJJASA-N 2 1 350.507 0.969 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000884631690 673468140 /nfs/dbraw/zinc/46/81/40/673468140.db2.gz SHOLXHCVPSPBCL-GFCCVEGCSA-N 2 1 363.487 0.087 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884659490 673470415 /nfs/dbraw/zinc/47/04/15/673470415.db2.gz UEIZWMXQSZPKKX-HNNXBMFYSA-N 2 1 354.495 0.109 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664741 673470667 /nfs/dbraw/zinc/47/06/67/673470667.db2.gz TZQJUCIRXDMLRK-QKPAOTATSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000884661254 673470700 /nfs/dbraw/zinc/47/07/00/673470700.db2.gz NUBLPWKHOPNPEY-UKRRQHHQSA-N 2 1 350.438 0.427 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664145 673470720 /nfs/dbraw/zinc/47/07/20/673470720.db2.gz DTMWVWBOIIYRPX-CHWSQXEVSA-N 2 1 360.449 0.584 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664146 673470746 /nfs/dbraw/zinc/47/07/46/673470746.db2.gz DTMWVWBOIIYRPX-OLZOCXBDSA-N 2 1 360.449 0.584 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285568 673512356 /nfs/dbraw/zinc/51/23/56/673512356.db2.gz QXHNSZCTSZMVRF-UONOGXRCSA-N 2 1 360.449 0.442 20 0 FCADMP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890132870 673704889 /nfs/dbraw/zinc/70/48/89/673704889.db2.gz GASZGKVOILHWKV-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741185 673762317 /nfs/dbraw/zinc/76/23/17/673762317.db2.gz GJABVUTYYNQTNS-CVEARBPZSA-N 2 1 352.479 0.894 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000925556000 673793915 /nfs/dbraw/zinc/79/39/15/673793915.db2.gz JGWIDXMDJKVVBX-IXDOHACOSA-N 2 1 351.491 0.639 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926350939 673825857 /nfs/dbraw/zinc/82/58/57/673825857.db2.gz DUKIIXZCWNNEAG-OAHLLOKOSA-N 2 1 354.495 0.001 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926350937 673825862 /nfs/dbraw/zinc/82/58/62/673825862.db2.gz DUKIIXZCWNNEAG-HNNXBMFYSA-N 2 1 354.495 0.001 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@H]1CCOC1 ZINC000927520324 673865323 /nfs/dbraw/zinc/86/53/23/673865323.db2.gz WNWXQPFHEDLJFT-SJORKVTESA-N 2 1 356.511 0.849 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927642369 673874944 /nfs/dbraw/zinc/87/49/44/673874944.db2.gz CEXDLJZQTQHJEE-INIZCTEOSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927642964 673875000 /nfs/dbraw/zinc/87/50/00/673875000.db2.gz SIXPYMWRQITRSL-NVXWUHKLSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927642964 673875002 /nfs/dbraw/zinc/87/50/02/673875002.db2.gz SIXPYMWRQITRSL-NVXWUHKLSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC000927642964 673875004 /nfs/dbraw/zinc/87/50/04/673875004.db2.gz SIXPYMWRQITRSL-NVXWUHKLSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@H]1C ZINC000927642964 673875006 /nfs/dbraw/zinc/87/50/06/673875006.db2.gz SIXPYMWRQITRSL-NVXWUHKLSA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000930246490 674008101 /nfs/dbraw/zinc/00/81/01/674008101.db2.gz MYGBPLSSLFITKN-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000930246490 674008104 /nfs/dbraw/zinc/00/81/04/674008104.db2.gz MYGBPLSSLFITKN-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CCc1onc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969072005 675268443 /nfs/dbraw/zinc/26/84/43/675268443.db2.gz RFFCGRSRQQIKEF-SUYBPPKGSA-N 2 1 350.463 0.955 20 0 FCADMP CCc1onc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969072005 675268446 /nfs/dbraw/zinc/26/84/46/675268446.db2.gz RFFCGRSRQQIKEF-SUYBPPKGSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC001008168784 675309009 /nfs/dbraw/zinc/30/90/09/675309009.db2.gz QSOXWIGEULYDHZ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020171286 675436492 /nfs/dbraw/zinc/43/64/92/675436492.db2.gz VKHRDKQJIZLEMQ-YIDVYQOGSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001020174652 675436595 /nfs/dbraw/zinc/43/65/95/675436595.db2.gz KVTVXNNEDCNGFW-LUKYLMHMSA-N 2 1 371.547 0.778 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C)CC[N@H+]1C ZINC001020300555 675440288 /nfs/dbraw/zinc/44/02/88/675440288.db2.gz QHBYFNUHTAJGQY-ALYAQQCSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C)CC[NH+]1C ZINC001020300555 675440290 /nfs/dbraw/zinc/44/02/90/675440290.db2.gz QHBYFNUHTAJGQY-ALYAQQCSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C)CC[NH+]1C ZINC001020300555 675440292 /nfs/dbraw/zinc/44/02/92/675440292.db2.gz QHBYFNUHTAJGQY-ALYAQQCSSA-N 2 1 350.507 0.917 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132191 675447709 /nfs/dbraw/zinc/44/77/09/675447709.db2.gz DRWYZHZBFQMAMK-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039132191 675447711 /nfs/dbraw/zinc/44/77/11/675447711.db2.gz DRWYZHZBFQMAMK-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039132191 675447713 /nfs/dbraw/zinc/44/77/13/675447713.db2.gz DRWYZHZBFQMAMK-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707524 675469114 /nfs/dbraw/zinc/46/91/14/675469114.db2.gz DMMXMVMYNAKBJA-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708676 675469191 /nfs/dbraw/zinc/46/91/91/675469191.db2.gz XRVLVVBODZNLMT-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444656 675653865 /nfs/dbraw/zinc/65/38/65/675653865.db2.gz FKRCXUZWCVZNEC-IIAWOOMASA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000900007745 675658212 /nfs/dbraw/zinc/65/82/12/675658212.db2.gz SBXNSGGAIRSCGL-UHFFFAOYSA-N 2 1 353.555 0.498 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000900443394 675682722 /nfs/dbraw/zinc/68/27/22/675682722.db2.gz WNLHZVOEALPXTJ-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000900443394 675682723 /nfs/dbraw/zinc/68/27/23/675682723.db2.gz WNLHZVOEALPXTJ-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000900443394 675682724 /nfs/dbraw/zinc/68/27/24/675682724.db2.gz WNLHZVOEALPXTJ-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCN2CC[NH+](CC)CC2)C1 ZINC000900688100 675707870 /nfs/dbraw/zinc/70/78/70/675707870.db2.gz YIAKLAWAWOEUJH-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCN2CC[NH+](CC)CC2)C1 ZINC000900688100 675707872 /nfs/dbraw/zinc/70/78/72/675707872.db2.gz YIAKLAWAWOEUJH-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001046329712 675708636 /nfs/dbraw/zinc/70/86/36/675708636.db2.gz QVKXKQRGIOLBSB-LBTNJELSSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046329712 675708637 /nfs/dbraw/zinc/70/86/37/675708637.db2.gz QVKXKQRGIOLBSB-LBTNJELSSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046329712 675708638 /nfs/dbraw/zinc/70/86/38/675708638.db2.gz QVKXKQRGIOLBSB-LBTNJELSSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001046330493 675709235 /nfs/dbraw/zinc/70/92/35/675709235.db2.gz LDRDPHPKLNCHTR-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001046330493 675709237 /nfs/dbraw/zinc/70/92/37/675709237.db2.gz LDRDPHPKLNCHTR-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001046330493 675709239 /nfs/dbraw/zinc/70/92/39/675709239.db2.gz LDRDPHPKLNCHTR-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001046330493 675709240 /nfs/dbraw/zinc/70/92/40/675709240.db2.gz LDRDPHPKLNCHTR-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900844998 675723402 /nfs/dbraw/zinc/72/34/02/675723402.db2.gz IZXUOCXLDYQTTQ-ZWKOTPCHSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000901057687 675747065 /nfs/dbraw/zinc/74/70/65/675747065.db2.gz MFLVASOHBSBNBZ-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1)C1CCC1 ZINC000969223239 1167822934 /nfs/dbraw/zinc/82/29/34/1167822934.db2.gz FFHPZNLLECBDRX-SJORKVTESA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CCN1C(=O)C[NH+]1CCCC1 ZINC000988539207 1192267881 /nfs/dbraw/zinc/26/78/81/1192267881.db2.gz FAEJJVWQINXNKG-OWCLPIDISA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000988544548 1192273965 /nfs/dbraw/zinc/27/39/65/1192273965.db2.gz MXZYJTZUUHYFHL-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000988544548 1192273990 /nfs/dbraw/zinc/27/39/90/1192273990.db2.gz MXZYJTZUUHYFHL-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000988544548 1192274004 /nfs/dbraw/zinc/27/40/04/1192274004.db2.gz MXZYJTZUUHYFHL-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001020613152 1168160351 /nfs/dbraw/zinc/16/03/51/1168160351.db2.gz OJZCTNBMHRJLGP-MKXGPGLRSA-N 2 1 368.485 0.860 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192659 1168160425 /nfs/dbraw/zinc/16/04/25/1168160425.db2.gz KQRWVCZKCVTOAL-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192659 1168160429 /nfs/dbraw/zinc/16/04/29/1168160429.db2.gz KQRWVCZKCVTOAL-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192659 1168160431 /nfs/dbraw/zinc/16/04/31/1168160431.db2.gz KQRWVCZKCVTOAL-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192659 1168160434 /nfs/dbraw/zinc/16/04/34/1168160434.db2.gz KQRWVCZKCVTOAL-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCC(OCC(=O)NC4CC4)CC3)n2)CC1 ZINC001167144337 1168392437 /nfs/dbraw/zinc/39/24/37/1168392437.db2.gz IIJYZTXUOSOHMW-UHFFFAOYSA-N 2 1 374.489 0.668 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)C1 ZINC001021490996 1169473029 /nfs/dbraw/zinc/47/30/29/1169473029.db2.gz VNGISEGYYLEUIE-OWCLPIDISA-N 2 1 359.474 0.743 20 0 FCADMP C[NH+]1CCN(c2nccnc2N(Cc2ccccc2)C2(C[NH3+])COC2)CC1 ZINC001167368686 1169722152 /nfs/dbraw/zinc/72/21/52/1169722152.db2.gz XUNLGNAXPRYUBN-UHFFFAOYSA-N 2 1 368.485 0.963 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001021711723 1169914886 /nfs/dbraw/zinc/91/48/86/1169914886.db2.gz BHAJFKPPOWFQJB-DLBZAZTESA-N 2 1 359.474 0.593 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)CC[N@@H+]1C ZINC001021714430 1169920997 /nfs/dbraw/zinc/92/09/97/1169920997.db2.gz LTGGNOFTMHTTNS-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)CC[N@H+]1C ZINC001021714430 1169921004 /nfs/dbraw/zinc/92/10/04/1169921004.db2.gz LTGGNOFTMHTTNS-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356190 1170005615 /nfs/dbraw/zinc/00/56/15/1170005615.db2.gz RLYKNFWJUDRQFA-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC001022035387 1170443704 /nfs/dbraw/zinc/44/37/04/1170443704.db2.gz KWZOJZWJYLEKDO-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000971566860 1170537578 /nfs/dbraw/zinc/53/75/78/1170537578.db2.gz KPWQFXZWKOOZPE-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000971566860 1170537610 /nfs/dbraw/zinc/53/76/10/1170537610.db2.gz KPWQFXZWKOOZPE-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC000971566860 1170537633 /nfs/dbraw/zinc/53/76/33/1170537633.db2.gz KPWQFXZWKOOZPE-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC000971566860 1170537641 /nfs/dbraw/zinc/53/76/41/1170537641.db2.gz KPWQFXZWKOOZPE-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221078 1170587064 /nfs/dbraw/zinc/58/70/64/1170587064.db2.gz JMSWEZDMSWGXHR-HYVNUMGLSA-N 2 1 365.478 0.005 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022216957 1170765396 /nfs/dbraw/zinc/76/53/96/1170765396.db2.gz DABTVNGKUDNZHG-YESZJQIVSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001022275197 1170823998 /nfs/dbraw/zinc/82/39/98/1170823998.db2.gz IRABFPZHDURCKB-IBEHDNSVSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001022275197 1170824001 /nfs/dbraw/zinc/82/40/01/1170824001.db2.gz IRABFPZHDURCKB-IBEHDNSVSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087175358 1170872834 /nfs/dbraw/zinc/87/28/34/1170872834.db2.gz JNHICHSCQBMXKS-KBMXLJTQSA-N 2 1 364.490 0.493 20 0 FCADMP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001691251410 1170890641 /nfs/dbraw/zinc/89/06/41/1170890641.db2.gz WUXMTXWLNNZYPL-MELADBBJSA-N 2 1 369.510 0.422 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000891829742 1170891061 /nfs/dbraw/zinc/89/10/61/1170891061.db2.gz HYWLJIVXUFUFFB-CALCHBBNSA-N 2 1 358.490 0.536 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000891831005 1170892944 /nfs/dbraw/zinc/89/29/44/1170892944.db2.gz YYJZUQJDLUPGBM-IAGOWNOFSA-N 2 1 358.490 0.679 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000328997039 1171078715 /nfs/dbraw/zinc/07/87/15/1171078715.db2.gz UQFUPMXTPDXHDQ-RYQLBKOJSA-N 2 1 361.490 0.736 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000328997039 1171078719 /nfs/dbraw/zinc/07/87/19/1171078719.db2.gz UQFUPMXTPDXHDQ-RYQLBKOJSA-N 2 1 361.490 0.736 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](OCC)C1 ZINC001691335325 1171133582 /nfs/dbraw/zinc/13/35/82/1171133582.db2.gz BCLOYKQBEHUYED-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001691347550 1171163806 /nfs/dbraw/zinc/16/38/06/1171163806.db2.gz MXONXLPOIAYQJR-NJAFHUGGSA-N 2 1 368.522 0.450 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[NH2+]C1 ZINC000891952157 1171208609 /nfs/dbraw/zinc/20/86/09/1171208609.db2.gz CPOLQBWHROJCHJ-INIZCTEOSA-N 2 1 368.522 0.945 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001691370389 1171222021 /nfs/dbraw/zinc/22/20/21/1171222021.db2.gz OPNRPWKKJMRPBT-CABCVRRESA-N 2 1 364.494 0.477 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970224 1171355242 /nfs/dbraw/zinc/35/52/42/1171355242.db2.gz JEBMJWFCEGNBIZ-FUHWJXTLSA-N 2 1 373.501 0.486 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)C1 ZINC000971959275 1171456659 /nfs/dbraw/zinc/45/66/59/1171456659.db2.gz ATLYHAFXXVQYGN-BZUAXINKSA-N 2 1 359.474 0.743 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083236139 1171548673 /nfs/dbraw/zinc/54/86/73/1171548673.db2.gz MVEFDFMOJQHFRH-BPQIPLTHSA-N 2 1 367.490 0.045 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC000548630833 1171615433 /nfs/dbraw/zinc/61/54/33/1171615433.db2.gz GEVXMSXLCZNGBA-UHFFFAOYSA-N 2 1 369.425 0.908 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC001022722307 1171814904 /nfs/dbraw/zinc/81/49/04/1171814904.db2.gz ZOGBTRDTLGFXIS-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022724075 1171818503 /nfs/dbraw/zinc/81/85/03/1171818503.db2.gz QLPUWVFTJGWBFT-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022724075 1171818506 /nfs/dbraw/zinc/81/85/06/1171818506.db2.gz QLPUWVFTJGWBFT-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022724075 1171818510 /nfs/dbraw/zinc/81/85/10/1171818510.db2.gz QLPUWVFTJGWBFT-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001022724084 1171818772 /nfs/dbraw/zinc/81/87/72/1171818772.db2.gz QTRNWPYGNSNQSB-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001022724084 1171818773 /nfs/dbraw/zinc/81/87/73/1171818773.db2.gz QTRNWPYGNSNQSB-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724670 1171821191 /nfs/dbraw/zinc/82/11/91/1171821191.db2.gz BFGGRHDSLMBCGH-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724670 1171821192 /nfs/dbraw/zinc/82/11/92/1171821192.db2.gz BFGGRHDSLMBCGH-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724670 1171821195 /nfs/dbraw/zinc/82/11/95/1171821195.db2.gz BFGGRHDSLMBCGH-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[N@H+](C)C1 ZINC000329068462 1171870994 /nfs/dbraw/zinc/87/09/94/1171870994.db2.gz XOLPPVUSAXNRHF-CMKODMSKSA-N 2 1 361.486 0.801 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[N@@H+](C)C1 ZINC000329068462 1171870995 /nfs/dbraw/zinc/87/09/95/1171870995.db2.gz XOLPPVUSAXNRHF-CMKODMSKSA-N 2 1 361.486 0.801 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[NH+](C)C1 ZINC000329068462 1171870998 /nfs/dbraw/zinc/87/09/98/1171870998.db2.gz XOLPPVUSAXNRHF-CMKODMSKSA-N 2 1 361.486 0.801 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C1 ZINC000329068462 1171871001 /nfs/dbraw/zinc/87/10/01/1171871001.db2.gz XOLPPVUSAXNRHF-CMKODMSKSA-N 2 1 361.486 0.801 20 0 FCADMP CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433773 1172143820 /nfs/dbraw/zinc/14/38/20/1172143820.db2.gz WXTGCOSWTSAZGC-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001083460435 1192502425 /nfs/dbraw/zinc/50/24/25/1192502425.db2.gz GXUHDXYDXGJURZ-SJORKVTESA-N 2 1 363.506 0.388 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001083460435 1192502430 /nfs/dbraw/zinc/50/24/30/1192502430.db2.gz GXUHDXYDXGJURZ-SJORKVTESA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000897669442 1192840364 /nfs/dbraw/zinc/84/03/64/1192840364.db2.gz UQTBWLGQSOYNQG-NVXWUHKLSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@H+]1C ZINC000897717573 1192844077 /nfs/dbraw/zinc/84/40/77/1192844077.db2.gz UFCOFPZSGSYMSV-OWCLPIDISA-N 2 1 359.474 0.718 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1(C)C ZINC000897791123 1192846709 /nfs/dbraw/zinc/84/67/09/1192846709.db2.gz DCWSSCRVUDDSQJ-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1(C)C ZINC000897791123 1192846711 /nfs/dbraw/zinc/84/67/11/1192846711.db2.gz DCWSSCRVUDDSQJ-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000842025177 1192857996 /nfs/dbraw/zinc/85/79/96/1192857996.db2.gz YWUIVGBECHWSBI-INIZCTEOSA-N 2 1 358.442 0.816 20 0 FCADMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000842035261 1192861138 /nfs/dbraw/zinc/86/11/38/1192861138.db2.gz JVXPUMXEELRGLD-CHWSQXEVSA-N 2 1 356.430 0.401 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075943533 1192870791 /nfs/dbraw/zinc/87/07/91/1192870791.db2.gz VIKPNOIXGVHDDN-BZZMCLGOSA-N 2 1 374.485 0.842 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075943533 1192870794 /nfs/dbraw/zinc/87/07/94/1192870794.db2.gz VIKPNOIXGVHDDN-BZZMCLGOSA-N 2 1 374.485 0.842 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000892329078 1178880009 /nfs/dbraw/zinc/88/00/09/1178880009.db2.gz BUHOZYZUOYCDQE-QGZVFWFLSA-N 2 1 371.485 0.438 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318484 1179090387 /nfs/dbraw/zinc/09/03/87/1179090387.db2.gz DUXWOSVBDGWXQL-HOTGVXAUSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318484 1179090395 /nfs/dbraw/zinc/09/03/95/1179090395.db2.gz DUXWOSVBDGWXQL-HOTGVXAUSA-N 2 1 363.458 0.773 20 0 FCADMP CN1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](C)CC1 ZINC000888990892 1179218962 /nfs/dbraw/zinc/21/89/62/1179218962.db2.gz HUHGSQQDLBBWOP-UHFFFAOYSA-N 2 1 373.545 0.905 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000892369727 1179872189 /nfs/dbraw/zinc/87/21/89/1179872189.db2.gz JHJKEYXDPHMAHU-DLBZAZTESA-N 2 1 358.490 0.679 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1 ZINC000972639273 1180095672 /nfs/dbraw/zinc/09/56/72/1180095672.db2.gz YIZLGDBKTWCQFX-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691479775 1180490227 /nfs/dbraw/zinc/49/02/27/1180490227.db2.gz HCPGRPJXARTUNK-HYVNUMGLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691479775 1180490239 /nfs/dbraw/zinc/49/02/39/1180490239.db2.gz HCPGRPJXARTUNK-HYVNUMGLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691479775 1180490255 /nfs/dbraw/zinc/49/02/55/1180490255.db2.gz HCPGRPJXARTUNK-HYVNUMGLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691479775 1180490268 /nfs/dbraw/zinc/49/02/68/1180490268.db2.gz HCPGRPJXARTUNK-HYVNUMGLSA-N 2 1 371.547 0.875 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000081326679 1180751519 /nfs/dbraw/zinc/75/15/19/1180751519.db2.gz JNOCYHJHIGLVSV-WMZOPIPTSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000081326679 1180751530 /nfs/dbraw/zinc/75/15/30/1180751530.db2.gz JNOCYHJHIGLVSV-WMZOPIPTSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000081326679 1180751541 /nfs/dbraw/zinc/75/15/41/1180751541.db2.gz JNOCYHJHIGLVSV-WMZOPIPTSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000081326679 1180751553 /nfs/dbraw/zinc/75/15/53/1180751553.db2.gz JNOCYHJHIGLVSV-WMZOPIPTSA-N 2 1 373.501 0.750 20 0 FCADMP CCn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037734 1180805102 /nfs/dbraw/zinc/80/51/02/1180805102.db2.gz AOCAPUREMINIGV-BFYDXBDKSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037734 1180805105 /nfs/dbraw/zinc/80/51/05/1180805105.db2.gz AOCAPUREMINIGV-BFYDXBDKSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)CC2 ZINC001112518353 1180836022 /nfs/dbraw/zinc/83/60/22/1180836022.db2.gz FEBHZQBZUIIGKM-VCBZYWHSSA-N 2 1 359.474 0.458 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024120444 1180854127 /nfs/dbraw/zinc/85/41/27/1180854127.db2.gz CWSRECHDYCOJGU-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112522303 1181270636 /nfs/dbraw/zinc/27/06/36/1181270636.db2.gz PROHSOZZRGYSKF-ZVZYQTTQSA-N 2 1 365.453 0.645 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211635404 1181381363 /nfs/dbraw/zinc/38/13/63/1181381363.db2.gz XSEICTJEDLEGLD-RYQLBKOJSA-N 2 1 369.469 0.910 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC1(C)C ZINC000892519003 1181709358 /nfs/dbraw/zinc/70/93/58/1181709358.db2.gz JLDWKRQYOFUJKJ-UHFFFAOYSA-N 2 1 357.462 0.962 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2CN(CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083275490 1181850553 /nfs/dbraw/zinc/85/05/53/1181850553.db2.gz HBAFCCLTLLMVMS-RRFJBIMHSA-N 2 1 370.400 0.527 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545363 1181852092 /nfs/dbraw/zinc/85/20/92/1181852092.db2.gz VLUVTUADILFCBJ-IEBWSBKVSA-N 3 1 372.517 0.939 20 0 FCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545363 1181852097 /nfs/dbraw/zinc/85/20/97/1181852097.db2.gz VLUVTUADILFCBJ-IEBWSBKVSA-N 2 1 372.517 0.939 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545363 1181852100 /nfs/dbraw/zinc/85/21/00/1181852100.db2.gz VLUVTUADILFCBJ-IEBWSBKVSA-N 2 1 372.517 0.939 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]21 ZINC001083275582 1181852609 /nfs/dbraw/zinc/85/26/09/1181852609.db2.gz MFPJBRMMFOYSDM-GBESFXJTSA-N 2 1 365.518 0.935 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001104680922 1182362196 /nfs/dbraw/zinc/36/21/96/1182362196.db2.gz ZHHQDHOXJYWPJX-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083283908 1182510744 /nfs/dbraw/zinc/51/07/44/1182510744.db2.gz AYRLAGVPNGYXBO-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001025684094 1182682441 /nfs/dbraw/zinc/68/24/41/1182682441.db2.gz CGJRKRXSEUBFOE-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001025793961 1182845492 /nfs/dbraw/zinc/84/54/92/1182845492.db2.gz FDOWQHPGBSMNEH-CETDPJCDSA-N 2 1 357.498 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001025793961 1182845493 /nfs/dbraw/zinc/84/54/93/1182845493.db2.gz FDOWQHPGBSMNEH-CETDPJCDSA-N 2 1 357.498 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001025793961 1182845496 /nfs/dbraw/zinc/84/54/96/1182845496.db2.gz FDOWQHPGBSMNEH-CETDPJCDSA-N 2 1 357.498 0.977 20 0 FCADMP COc1ncnc(OC)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637406 1182864510 /nfs/dbraw/zinc/86/45/10/1182864510.db2.gz RBQUHMFGNNCYMM-AWEZNQCLSA-N 2 1 363.462 0.734 20 0 FCADMP COc1ncnc(OC)c1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637406 1182864512 /nfs/dbraw/zinc/86/45/12/1182864512.db2.gz RBQUHMFGNNCYMM-AWEZNQCLSA-N 2 1 363.462 0.734 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104846496 1182952929 /nfs/dbraw/zinc/95/29/29/1182952929.db2.gz YLPPJPWGWRNXQH-ZIAGYGMSSA-N 2 1 356.430 0.440 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CC[NH+](CCCO)CC2)O1 ZINC001098609680 1182960000 /nfs/dbraw/zinc/96/00/00/1182960000.db2.gz DJSRFRVGILKIFU-BRWVUGGUSA-N 2 1 369.506 0.170 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CC[NH+](CCCO)CC2)O1 ZINC001098609680 1182960009 /nfs/dbraw/zinc/96/00/09/1182960009.db2.gz DJSRFRVGILKIFU-BRWVUGGUSA-N 2 1 369.506 0.170 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000974185228 1183038444 /nfs/dbraw/zinc/03/84/44/1183038444.db2.gz HZJFFDFJEFGNPC-IBEHDNSVSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000974185228 1183038451 /nfs/dbraw/zinc/03/84/51/1183038451.db2.gz HZJFFDFJEFGNPC-IBEHDNSVSA-N 2 1 359.474 0.864 20 0 FCADMP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008272 1183066733 /nfs/dbraw/zinc/06/67/33/1183066733.db2.gz WLSNJEFZPGIWND-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001105010675 1183067484 /nfs/dbraw/zinc/06/74/84/1183067484.db2.gz VNXURULIRXIEBF-ZTFGCOKTSA-N 2 1 362.522 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)C1 ZINC001105042171 1183089387 /nfs/dbraw/zinc/08/93/87/1183089387.db2.gz QSNIGRCBSKHVPU-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C2)C1 ZINC001105042171 1183089398 /nfs/dbraw/zinc/08/93/98/1183089398.db2.gz QSNIGRCBSKHVPU-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@@H](C)COC)nn3)C2)CC[N@@H+]1C ZINC001105244208 1183152844 /nfs/dbraw/zinc/15/28/44/1183152844.db2.gz QMDZFYRGFVGUOR-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@@H](C)COC)nn3)C2)CC[N@H+]1C ZINC001105244208 1183152852 /nfs/dbraw/zinc/15/28/52/1183152852.db2.gz QMDZFYRGFVGUOR-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP C[C@@H](O)CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244265 1183154428 /nfs/dbraw/zinc/15/44/28/1183154428.db2.gz UFMYXLHIFJGFBG-CKEIUWERSA-N 2 1 364.494 0.252 20 0 FCADMP CC[C@H](C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1)OC ZINC001105244414 1183154434 /nfs/dbraw/zinc/15/44/34/1183154434.db2.gz WBFWYKIDHYNFLE-KBRIMQKVSA-N 2 1 364.494 0.516 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC000974546604 1183321081 /nfs/dbraw/zinc/32/10/81/1183321081.db2.gz XUSLVKIVGINMNO-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000974546604 1183321089 /nfs/dbraw/zinc/32/10/89/1183321089.db2.gz XUSLVKIVGINMNO-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@H+]1C ZINC000974590013 1183356526 /nfs/dbraw/zinc/35/65/26/1183356526.db2.gz GAAVICMRCCCGNQ-QBPKDAKJSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974582764 1183362696 /nfs/dbraw/zinc/36/26/96/1183362696.db2.gz DRNNROIXFMIWQU-BRWVUGGUSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585114 1183365336 /nfs/dbraw/zinc/36/53/36/1183365336.db2.gz URRKVXUYQJHKDM-GVDBMIGSSA-N 2 1 360.502 0.626 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)CC1 ZINC000974596116 1183373922 /nfs/dbraw/zinc/37/39/22/1183373922.db2.gz ODRFVHPYLKOEBC-SQNIBIBYSA-N 2 1 367.534 0.942 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975308403 1183821375 /nfs/dbraw/zinc/82/13/75/1183821375.db2.gz KXTFTEITCHGWEV-BRWVUGGUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000975308403 1183821376 /nfs/dbraw/zinc/82/13/76/1183821376.db2.gz KXTFTEITCHGWEV-BRWVUGGUSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)C1 ZINC000975784132 1185776609 /nfs/dbraw/zinc/77/66/09/1185776609.db2.gz PKZBUOUSWNZSDM-JQHSSLGASA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000978878304 1186023961 /nfs/dbraw/zinc/02/39/61/1186023961.db2.gz QVGVMYJERZUGDN-VVLHAWIVSA-N 2 1 362.518 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000979887584 1186136437 /nfs/dbraw/zinc/13/64/37/1186136437.db2.gz VFDHEQURVNASSS-LUKYLMHMSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000979887584 1186136447 /nfs/dbraw/zinc/13/64/47/1186136447.db2.gz VFDHEQURVNASSS-LUKYLMHMSA-N 2 1 361.490 0.933 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000979977096 1186147579 /nfs/dbraw/zinc/14/75/79/1186147579.db2.gz HMJZJUCVHXMLQN-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000979977096 1186147587 /nfs/dbraw/zinc/14/75/87/1186147587.db2.gz HMJZJUCVHXMLQN-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000979977096 1186147593 /nfs/dbraw/zinc/14/75/93/1186147593.db2.gz HMJZJUCVHXMLQN-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000979977096 1186147600 /nfs/dbraw/zinc/14/76/00/1186147600.db2.gz HMJZJUCVHXMLQN-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP CCn1nnc(C)c1CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966426 1186241004 /nfs/dbraw/zinc/24/10/04/1186241004.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 1 364.494 0.406 20 0 FCADMP CCn1nnc(C)c1CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966426 1186241010 /nfs/dbraw/zinc/24/10/10/1186241010.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 1 364.494 0.406 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCC(=O)NC2=O)C3)CC[N@H+]1C ZINC000981776055 1186516771 /nfs/dbraw/zinc/51/67/71/1186516771.db2.gz DZTDNHIDESDPNZ-KFWWJZLASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC000981776055 1186516775 /nfs/dbraw/zinc/51/67/75/1186516775.db2.gz DZTDNHIDESDPNZ-KFWWJZLASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC000981776055 1186516778 /nfs/dbraw/zinc/51/67/78/1186516778.db2.gz DZTDNHIDESDPNZ-KFWWJZLASA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCCNC2=O)C3)CC[N@H+]1C ZINC000981778291 1186519610 /nfs/dbraw/zinc/51/96/10/1186519610.db2.gz FOSMWMZLZMNALA-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981769745 1186519895 /nfs/dbraw/zinc/51/98/95/1186519895.db2.gz IBEUFKUBEXXPFF-YESZJQIVSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)C1 ZINC001211726345 1187485904 /nfs/dbraw/zinc/48/59/04/1187485904.db2.gz WSIKGSCSDHVHOG-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)C1 ZINC001211726345 1187485906 /nfs/dbraw/zinc/48/59/06/1187485906.db2.gz WSIKGSCSDHVHOG-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001745733046 1187493907 /nfs/dbraw/zinc/49/39/07/1187493907.db2.gz JBJJJBNSXLUJAE-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211729578 1187511825 /nfs/dbraw/zinc/51/18/25/1187511825.db2.gz CZMGDRHDYZPZMV-RBUKOAKNSA-N 2 1 363.502 0.920 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740145 1187513724 /nfs/dbraw/zinc/51/37/24/1187513724.db2.gz CPJXELISHLNYNC-QZTJIDSGSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643759 1187566507 /nfs/dbraw/zinc/56/65/07/1187566507.db2.gz KFFAKTTUPZDZOL-QXAKKESOSA-N 2 1 359.470 0.929 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629315 1187759411 /nfs/dbraw/zinc/75/94/11/1187759411.db2.gz JEHROZYEYOVFHB-JFIYKMOQSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629315 1187759417 /nfs/dbraw/zinc/75/94/17/1187759417.db2.gz JEHROZYEYOVFHB-JFIYKMOQSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629315 1187759422 /nfs/dbraw/zinc/75/94/22/1187759422.db2.gz JEHROZYEYOVFHB-JFIYKMOQSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629315 1187759425 /nfs/dbraw/zinc/75/94/25/1187759425.db2.gz JEHROZYEYOVFHB-JFIYKMOQSA-N 2 1 363.506 0.603 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982931606 1187801631 /nfs/dbraw/zinc/80/16/31/1187801631.db2.gz AFDCQBWLYBTUFP-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982931606 1187801632 /nfs/dbraw/zinc/80/16/32/1187801632.db2.gz AFDCQBWLYBTUFP-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)NC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001482244422 1187883157 /nfs/dbraw/zinc/88/31/57/1187883157.db2.gz VCBVCEACUYYBCC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001482244422 1187883158 /nfs/dbraw/zinc/88/31/58/1187883158.db2.gz VCBVCEACUYYBCC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001482244422 1187883161 /nfs/dbraw/zinc/88/31/61/1187883161.db2.gz VCBVCEACUYYBCC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CN(C)C(N)=[NH2+])C3)n(C)n1 ZINC001269992706 1187962336 /nfs/dbraw/zinc/96/23/36/1187962336.db2.gz VNTVVQUFKHQEOE-SFHVURJKSA-N 2 1 361.494 0.368 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4c[nH+]cn43)C2)C1=O ZINC001270287168 1188081448 /nfs/dbraw/zinc/08/14/48/1188081448.db2.gz VYRASZLJKGMRAX-APWZRJJASA-N 2 1 359.474 0.773 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332604 1188101196 /nfs/dbraw/zinc/10/11/96/1188101196.db2.gz KMGKVLBJBZNPNV-DNVCBOLYSA-N 2 1 364.490 0.258 20 0 FCADMP C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112070 1188293808 /nfs/dbraw/zinc/29/38/08/1188293808.db2.gz UVKXCQJJFWSDPH-JKIFEVAISA-N 2 1 364.494 0.251 20 0 FCADMP C[C@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112070 1188293812 /nfs/dbraw/zinc/29/38/12/1188293812.db2.gz UVKXCQJJFWSDPH-JKIFEVAISA-N 2 1 364.494 0.251 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000550349071 1188341714 /nfs/dbraw/zinc/34/17/14/1188341714.db2.gz VTWRCOGSTRVFCB-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CCC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001745870361 1188420203 /nfs/dbraw/zinc/42/02/03/1188420203.db2.gz WAAPTLIWWHSVFH-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC000984015342 1189372113 /nfs/dbraw/zinc/37/21/13/1189372113.db2.gz PMGYNNBJTMEMPZ-AAVRWANBSA-N 2 1 371.432 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC000984015342 1189372126 /nfs/dbraw/zinc/37/21/26/1189372126.db2.gz PMGYNNBJTMEMPZ-AAVRWANBSA-N 2 1 371.432 0.982 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC000984016236 1189374480 /nfs/dbraw/zinc/37/44/80/1189374480.db2.gz UEWJDNOPAJDRAS-KBUPBQIOSA-N 2 1 364.494 0.081 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC000984016236 1189374486 /nfs/dbraw/zinc/37/44/86/1189374486.db2.gz UEWJDNOPAJDRAS-KBUPBQIOSA-N 2 1 364.494 0.081 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CCc1cnn(CC)c1 ZINC001087529645 1189383211 /nfs/dbraw/zinc/38/32/11/1189383211.db2.gz OMYYDYDOGULNFX-KSZLIROESA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCc1cnn(CC)c1 ZINC001087529645 1189383216 /nfs/dbraw/zinc/38/32/16/1189383216.db2.gz OMYYDYDOGULNFX-KSZLIROESA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCc1cnn(CC)c1 ZINC001087529645 1189383221 /nfs/dbraw/zinc/38/32/21/1189383221.db2.gz OMYYDYDOGULNFX-KSZLIROESA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCc1cnn(CC)c1 ZINC001087529645 1189383230 /nfs/dbraw/zinc/38/32/30/1189383230.db2.gz OMYYDYDOGULNFX-KSZLIROESA-N 2 1 363.506 0.745 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCCN(C)C2=O)O1 ZINC001029356893 1189431794 /nfs/dbraw/zinc/43/17/94/1189431794.db2.gz WSOJGDJLTNALJS-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCCN(C)C2=O)O1 ZINC001029356893 1189431817 /nfs/dbraw/zinc/43/18/17/1189431817.db2.gz WSOJGDJLTNALJS-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCN(C)C2=O)O1 ZINC001029356893 1189431830 /nfs/dbraw/zinc/43/18/30/1189431830.db2.gz WSOJGDJLTNALJS-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCN(C)C2=O)O1 ZINC001029356893 1189431836 /nfs/dbraw/zinc/43/18/36/1189431836.db2.gz WSOJGDJLTNALJS-NQNKBUKLSA-N 2 1 364.490 0.002 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984234886 1189662273 /nfs/dbraw/zinc/66/22/73/1189662273.db2.gz SIJLXEQYRMYFQU-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984234886 1189662286 /nfs/dbraw/zinc/66/22/86/1189662286.db2.gz SIJLXEQYRMYFQU-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087658930 1189710235 /nfs/dbraw/zinc/71/02/35/1189710235.db2.gz DAALNSSKKKGGIP-LSDHHAIUSA-N 2 1 361.446 0.310 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087658930 1189710260 /nfs/dbraw/zinc/71/02/60/1189710260.db2.gz DAALNSSKKKGGIP-LSDHHAIUSA-N 2 1 361.446 0.310 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001087686406 1189747340 /nfs/dbraw/zinc/74/73/40/1189747340.db2.gz BNVPIIONRVKHQP-MWDXBVQZSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C[C@H](O)CN1CCCC1=O ZINC001087686406 1189747364 /nfs/dbraw/zinc/74/73/64/1189747364.db2.gz BNVPIIONRVKHQP-MWDXBVQZSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C[C@H](O)CN1CCCC1=O ZINC001087686406 1189747386 /nfs/dbraw/zinc/74/73/86/1189747386.db2.gz BNVPIIONRVKHQP-MWDXBVQZSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001087836896 1189845190 /nfs/dbraw/zinc/84/51/90/1189845190.db2.gz MHVRFHPJOKBWHR-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CCc1cnn(C)c1 ZINC001087836896 1189845193 /nfs/dbraw/zinc/84/51/93/1189845193.db2.gz MHVRFHPJOKBWHR-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CCc1cnn(C)c1 ZINC001087836896 1189845194 /nfs/dbraw/zinc/84/51/94/1189845194.db2.gz MHVRFHPJOKBWHR-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCc1cnn(C)c1 ZINC001087836896 1189845196 /nfs/dbraw/zinc/84/51/96/1189845196.db2.gz MHVRFHPJOKBWHR-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920695 1189907471 /nfs/dbraw/zinc/90/74/71/1189907471.db2.gz XUDAJOGNBPUPIV-SOLBZPMBSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920695 1189907484 /nfs/dbraw/zinc/90/74/84/1189907484.db2.gz XUDAJOGNBPUPIV-SOLBZPMBSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920695 1189907493 /nfs/dbraw/zinc/90/74/93/1189907493.db2.gz XUDAJOGNBPUPIV-SOLBZPMBSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920695 1189907496 /nfs/dbraw/zinc/90/74/96/1189907496.db2.gz XUDAJOGNBPUPIV-SOLBZPMBSA-N 2 1 361.490 0.074 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087986414 1190115976 /nfs/dbraw/zinc/11/59/76/1190115976.db2.gz KAVXXQNVCZOULK-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087986414 1190115979 /nfs/dbraw/zinc/11/59/79/1190115979.db2.gz KAVXXQNVCZOULK-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993582 1190143958 /nfs/dbraw/zinc/14/39/58/1190143958.db2.gz UKOBJFGUXRPGBM-SOLBZPMBSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993582 1190143964 /nfs/dbraw/zinc/14/39/64/1190143964.db2.gz UKOBJFGUXRPGBM-SOLBZPMBSA-N 2 1 360.506 0.919 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994884 1190148102 /nfs/dbraw/zinc/14/81/02/1190148102.db2.gz IOPDOBSGZDTVHQ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994884 1190148105 /nfs/dbraw/zinc/14/81/05/1190148105.db2.gz IOPDOBSGZDTVHQ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994884 1190148110 /nfs/dbraw/zinc/14/81/10/1190148110.db2.gz IOPDOBSGZDTVHQ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994793 1190148682 /nfs/dbraw/zinc/14/86/82/1190148682.db2.gz CISSJCAJQOCIKN-OAGGEKHMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994793 1190148685 /nfs/dbraw/zinc/14/86/85/1190148685.db2.gz CISSJCAJQOCIKN-OAGGEKHMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994793 1190148687 /nfs/dbraw/zinc/14/86/87/1190148687.db2.gz CISSJCAJQOCIKN-OAGGEKHMSA-N 2 1 362.518 0.918 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010194 1190208366 /nfs/dbraw/zinc/20/83/66/1190208366.db2.gz MBCWKMLHSDWMEX-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)ncn1 ZINC001088011963 1190211585 /nfs/dbraw/zinc/21/15/85/1190211585.db2.gz MCUAHAQTLRRQNQ-VXIBKDFQSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)ncn1 ZINC001088011963 1190211589 /nfs/dbraw/zinc/21/15/89/1190211589.db2.gz MCUAHAQTLRRQNQ-VXIBKDFQSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)ncn1 ZINC001088011963 1190211596 /nfs/dbraw/zinc/21/15/96/1190211596.db2.gz MCUAHAQTLRRQNQ-VXIBKDFQSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)ncn1 ZINC001088011963 1190211600 /nfs/dbraw/zinc/21/16/00/1190211600.db2.gz MCUAHAQTLRRQNQ-VXIBKDFQSA-N 2 1 373.501 0.784 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000984895168 1190224763 /nfs/dbraw/zinc/22/47/63/1190224763.db2.gz JRGNFKMCTUSOQQ-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984895168 1190224768 /nfs/dbraw/zinc/22/47/68/1190224768.db2.gz JRGNFKMCTUSOQQ-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984895168 1190224771 /nfs/dbraw/zinc/22/47/71/1190224771.db2.gz JRGNFKMCTUSOQQ-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@H]2C1 ZINC001088018873 1190231363 /nfs/dbraw/zinc/23/13/63/1190231363.db2.gz OJYNFXGOPXPPKM-OAGGEKHMSA-N 2 1 359.474 0.314 20 0 FCADMP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@H]2C1 ZINC001088018873 1190231369 /nfs/dbraw/zinc/23/13/69/1190231369.db2.gz OJYNFXGOPXPPKM-OAGGEKHMSA-N 2 1 359.474 0.314 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4ccnc4C3)C[C@@H]2C1 ZINC001088018804 1190231410 /nfs/dbraw/zinc/23/14/10/1190231410.db2.gz LVRGWXNFNKOJBJ-XHSDSOJGSA-N 2 1 359.474 0.314 20 0 FCADMP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCn4ccnc4C3)C[C@@H]2C1 ZINC001088018804 1190231417 /nfs/dbraw/zinc/23/14/17/1190231417.db2.gz LVRGWXNFNKOJBJ-XHSDSOJGSA-N 2 1 359.474 0.314 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088028055 1190267790 /nfs/dbraw/zinc/26/77/90/1190267790.db2.gz SEKRYRWSBPUOCL-HLLBOEOZSA-N 2 1 353.426 0.617 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@@H]3C2)C1=O ZINC001088028075 1190268359 /nfs/dbraw/zinc/26/83/59/1190268359.db2.gz TXTNBJBJKKYEIY-RYRKJORJSA-N 2 1 367.453 0.959 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001271210238 1190358152 /nfs/dbraw/zinc/35/81/52/1190358152.db2.gz AQHDBJICQQARDY-IBGZPJMESA-N 2 1 361.490 0.991 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077104 1190411594 /nfs/dbraw/zinc/41/15/94/1190411594.db2.gz KCYZPPKLHPNWSQ-SQNIBIBYSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077104 1190411605 /nfs/dbraw/zinc/41/16/05/1190411605.db2.gz KCYZPPKLHPNWSQ-SQNIBIBYSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077104 1190411617 /nfs/dbraw/zinc/41/16/17/1190411617.db2.gz KCYZPPKLHPNWSQ-SQNIBIBYSA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)CC1 ZINC001088090836 1190543996 /nfs/dbraw/zinc/54/39/96/1190543996.db2.gz IHQHIHBZEKADKV-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088106439 1190588151 /nfs/dbraw/zinc/58/81/51/1190588151.db2.gz ZVGSWQGVYBWUGU-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088106439 1190588160 /nfs/dbraw/zinc/58/81/60/1190588160.db2.gz ZVGSWQGVYBWUGU-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106665 1190593533 /nfs/dbraw/zinc/59/35/33/1190593533.db2.gz LPAAGTPGGOQEHV-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106665 1190593546 /nfs/dbraw/zinc/59/35/46/1190593546.db2.gz LPAAGTPGGOQEHV-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106665 1190593551 /nfs/dbraw/zinc/59/35/51/1190593551.db2.gz LPAAGTPGGOQEHV-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000985140181 1190627823 /nfs/dbraw/zinc/62/78/23/1190627823.db2.gz OZUMVUYDKXCTSY-XHSDSOJGSA-N 2 1 363.462 0.018 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000985163197 1190659562 /nfs/dbraw/zinc/65/95/62/1190659562.db2.gz BQXVTJSXSCWHRI-WCXIOVBPSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150694 1190674120 /nfs/dbraw/zinc/67/41/20/1190674120.db2.gz RKNFNANJYOVFMH-KSZLIROESA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001088318170 1190728563 /nfs/dbraw/zinc/72/85/63/1190728563.db2.gz ZIAXRCCVNDBWLJ-RBSFLKMASA-N 2 1 364.494 0.309 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854955 1190732034 /nfs/dbraw/zinc/73/20/34/1190732034.db2.gz XQGYIEOBPSXJTI-MDMSPXHWSA-N 2 1 364.534 0.878 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854955 1190732037 /nfs/dbraw/zinc/73/20/37/1190732037.db2.gz XQGYIEOBPSXJTI-MDMSPXHWSA-N 2 1 364.534 0.878 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854955 1190732041 /nfs/dbraw/zinc/73/20/41/1190732041.db2.gz XQGYIEOBPSXJTI-MDMSPXHWSA-N 2 1 364.534 0.878 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000985825177 1190825352 /nfs/dbraw/zinc/82/53/52/1190825352.db2.gz XHVGGIDLDLZLLO-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986138927 1190903984 /nfs/dbraw/zinc/90/39/84/1190903984.db2.gz ZYEYUFWMHKMEHA-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001059730625 1191051088 /nfs/dbraw/zinc/05/10/88/1191051088.db2.gz LMUHOJGEXLPBRD-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986681993 1191075158 /nfs/dbraw/zinc/07/51/58/1191075158.db2.gz WKWCJDYGJPZJRT-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000988149431 1191153695 /nfs/dbraw/zinc/15/36/95/1191153695.db2.gz XCRSVPFQBGRLNG-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)O1 ZINC001059858350 1191155734 /nfs/dbraw/zinc/15/57/34/1191155734.db2.gz SCQOXBVIDGDDNW-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)O1 ZINC001059858350 1191155735 /nfs/dbraw/zinc/15/57/35/1191155735.db2.gz SCQOXBVIDGDDNW-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCCN1CCCC1=O ZINC001088568702 1191206568 /nfs/dbraw/zinc/20/65/68/1191206568.db2.gz RGTALIHWYCRYRU-NJAFHUGGSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001218037379 1224136423 /nfs/dbraw/zinc/13/64/23/1224136423.db2.gz KRNPVMAEXFPZKB-YESZJQIVSA-N 2 1 367.469 0.475 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001218037379 1224136424 /nfs/dbraw/zinc/13/64/24/1224136424.db2.gz KRNPVMAEXFPZKB-YESZJQIVSA-N 2 1 367.469 0.475 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CN(C)C)on3)[C@H]2C1 ZINC001218213135 1224147413 /nfs/dbraw/zinc/14/74/13/1224147413.db2.gz BNRTXIQYHKLKII-DLBZAZTESA-N 2 1 366.462 0.688 20 0 FCADMP CCOCCCN1C[C@H]2OCCN(C(=O)c3cc(CN(C)C)on3)[C@H]2C1 ZINC001218213135 1224147415 /nfs/dbraw/zinc/14/74/15/1224147415.db2.gz BNRTXIQYHKLKII-DLBZAZTESA-N 2 1 366.462 0.688 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088702132 1193800247 /nfs/dbraw/zinc/80/02/47/1193800247.db2.gz FAFCGQWMJBQYPX-ZACQAIPSSA-N 2 1 361.490 0.451 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550946065 1193821852 /nfs/dbraw/zinc/82/18/52/1193821852.db2.gz CHNBWQRHSJFRQQ-SJORKVTESA-N 2 1 367.538 0.118 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105643495 1193848799 /nfs/dbraw/zinc/84/87/99/1193848799.db2.gz ZHQYLGYMVJJNBU-FPAYPSAMSA-N 2 1 364.490 0.540 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000551566885 1193863758 /nfs/dbraw/zinc/86/37/58/1193863758.db2.gz WPDYTLHHQJYDIH-CQSZACIVSA-N 2 1 362.478 0.606 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000551566885 1193863759 /nfs/dbraw/zinc/86/37/59/1193863759.db2.gz WPDYTLHHQJYDIH-CQSZACIVSA-N 2 1 362.478 0.606 20 0 FCADMP Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218573983 1224175033 /nfs/dbraw/zinc/17/50/33/1224175033.db2.gz DJNJJZNYFJFWEN-GFCCVEGCSA-N 2 1 370.413 0.130 20 0 FCADMP Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218573983 1224175035 /nfs/dbraw/zinc/17/50/35/1224175035.db2.gz DJNJJZNYFJFWEN-GFCCVEGCSA-N 2 1 370.413 0.130 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]([NH3+])C3Cc4ccccc4C3)ncn2)CC1 ZINC001218573345 1224175316 /nfs/dbraw/zinc/17/53/16/1224175316.db2.gz VTYNLBNJDKZHIS-IBGZPJMESA-N 2 1 366.469 0.909 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552501271 1193935049 /nfs/dbraw/zinc/93/50/49/1193935049.db2.gz SVJGFQNZSHQFKI-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552501271 1193935053 /nfs/dbraw/zinc/93/50/53/1193935053.db2.gz SVJGFQNZSHQFKI-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537440 1193937601 /nfs/dbraw/zinc/93/76/01/1193937601.db2.gz BMKBTBMTYBYNEG-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537440 1193937603 /nfs/dbraw/zinc/93/76/03/1193937603.db2.gz BMKBTBMTYBYNEG-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000553686948 1194014922 /nfs/dbraw/zinc/01/49/22/1194014922.db2.gz MYEZYKGZIZWBQB-HRCADAONSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000553686948 1194014926 /nfs/dbraw/zinc/01/49/26/1194014926.db2.gz MYEZYKGZIZWBQB-HRCADAONSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000553686948 1194014931 /nfs/dbraw/zinc/01/49/31/1194014931.db2.gz MYEZYKGZIZWBQB-HRCADAONSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC000553686948 1194014937 /nfs/dbraw/zinc/01/49/37/1194014937.db2.gz MYEZYKGZIZWBQB-HRCADAONSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@@H]1O ZINC001083505485 1194050270 /nfs/dbraw/zinc/05/02/70/1194050270.db2.gz PXLZCTLUNICSOY-PMPSAXMXSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001083505485 1194050275 /nfs/dbraw/zinc/05/02/75/1194050275.db2.gz PXLZCTLUNICSOY-PMPSAXMXSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001083505485 1194050280 /nfs/dbraw/zinc/05/02/80/1194050280.db2.gz PXLZCTLUNICSOY-PMPSAXMXSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001083505485 1194050286 /nfs/dbraw/zinc/05/02/86/1194050286.db2.gz PXLZCTLUNICSOY-PMPSAXMXSA-N 2 1 365.478 0.346 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815573 1194110750 /nfs/dbraw/zinc/11/07/50/1194110750.db2.gz VXJLWNKRJRYTLL-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815573 1194110759 /nfs/dbraw/zinc/11/07/59/1194110759.db2.gz VXJLWNKRJRYTLL-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815573 1194110763 /nfs/dbraw/zinc/11/07/63/1194110763.db2.gz VXJLWNKRJRYTLL-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815573 1194110767 /nfs/dbraw/zinc/11/07/67/1194110767.db2.gz VXJLWNKRJRYTLL-NJAFHUGGSA-N 2 1 363.506 0.651 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076046672 1194272920 /nfs/dbraw/zinc/27/29/20/1194272920.db2.gz GNRFLENIKGGNDT-RRQGHBQHSA-N 2 1 353.426 0.759 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076047783 1194273780 /nfs/dbraw/zinc/27/37/80/1194273780.db2.gz DKXXHJIZEZHLGN-YESZJQIVSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076047783 1194273789 /nfs/dbraw/zinc/27/37/89/1194273789.db2.gz DKXXHJIZEZHLGN-YESZJQIVSA-N 2 1 359.474 0.641 20 0 FCADMP COC(CN1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O)OC ZINC001276794174 1224207772 /nfs/dbraw/zinc/20/77/72/1224207772.db2.gz CMVPTBSMMDLNLZ-OAHLLOKOSA-N 2 1 371.522 0.669 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)nn1 ZINC001076206278 1194353521 /nfs/dbraw/zinc/35/35/21/1194353521.db2.gz HUMPEHFQFIHVON-DOTOQJQBSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)nn1 ZINC001076206278 1194353526 /nfs/dbraw/zinc/35/35/26/1194353526.db2.gz HUMPEHFQFIHVON-DOTOQJQBSA-N 2 1 359.474 0.860 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001076206587 1194353680 /nfs/dbraw/zinc/35/36/80/1194353680.db2.gz WWTADODIWJPBQQ-RYQLBKOJSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244348 1194371001 /nfs/dbraw/zinc/37/10/01/1194371001.db2.gz PKJUMFNSIDIGDR-SOLBZPMBSA-N 2 1 371.485 0.519 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244348 1194371005 /nfs/dbraw/zinc/37/10/05/1194371005.db2.gz PKJUMFNSIDIGDR-SOLBZPMBSA-N 2 1 371.485 0.519 20 0 FCADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC001276794721 1224214821 /nfs/dbraw/zinc/21/48/21/1224214821.db2.gz RJABSTUYWUKLQS-MRXNPFEDSA-N 2 1 369.412 0.473 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)CCN4CCOCC4)[C@@H]3C2)cn1 ZINC001076362080 1194417632 /nfs/dbraw/zinc/41/76/32/1194417632.db2.gz ZPDGZNCERDKHEQ-FUHWJXTLSA-N 2 1 359.474 0.540 20 0 FCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407381 1194452814 /nfs/dbraw/zinc/45/28/14/1194452814.db2.gz BOLQJONGRCTMEI-MAUKXSAKSA-N 2 1 361.490 0.564 20 0 FCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407381 1194452828 /nfs/dbraw/zinc/45/28/28/1194452828.db2.gz BOLQJONGRCTMEI-MAUKXSAKSA-N 2 1 361.490 0.564 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001076418590 1194466650 /nfs/dbraw/zinc/46/66/50/1194466650.db2.gz GBUMRQRMFZIILL-ZWKOTPCHSA-N 2 1 360.506 0.931 20 0 FCADMP CCOCCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795227 1224220118 /nfs/dbraw/zinc/22/01/18/1224220118.db2.gz XXBPDUQDKSSYFT-DNVCBOLYSA-N 2 1 369.506 0.613 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447251 1194501158 /nfs/dbraw/zinc/50/11/58/1194501158.db2.gz ZACDOISGKHNMND-ZWKOTPCHSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447251 1194501165 /nfs/dbraw/zinc/50/11/65/1194501165.db2.gz ZACDOISGKHNMND-ZWKOTPCHSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469137 1194503181 /nfs/dbraw/zinc/50/31/81/1194503181.db2.gz SNCRPNXLFGGDHA-ARFHVFGLSA-N 2 1 356.474 0.394 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504623 1194529176 /nfs/dbraw/zinc/52/91/76/1194529176.db2.gz IZRWKNJNJBXQBQ-BMGDILEWSA-N 2 1 371.485 0.947 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001076604171 1194589034 /nfs/dbraw/zinc/58/90/34/1194589034.db2.gz QCGNYUYEWATGEP-RCCFBDPRSA-N 2 1 356.470 0.783 20 0 FCADMP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]Cc2ccnn21 ZINC001218880306 1224246433 /nfs/dbraw/zinc/24/64/33/1224246433.db2.gz CWSZUEAYIBYSFZ-MRXNPFEDSA-N 2 1 354.414 0.212 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)C1=O ZINC001276798154 1224249630 /nfs/dbraw/zinc/24/96/30/1224249630.db2.gz BBRJVZPYZTXYHU-BEFAXECRSA-N 2 1 369.506 0.565 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007296 1195140659 /nfs/dbraw/zinc/14/06/59/1195140659.db2.gz HUYKZMIBXJERQW-GUDVDZBRSA-N 2 1 359.470 0.698 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007296 1195140662 /nfs/dbraw/zinc/14/06/62/1195140662.db2.gz HUYKZMIBXJERQW-GUDVDZBRSA-N 2 1 359.470 0.698 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091325 1195207955 /nfs/dbraw/zinc/20/79/55/1195207955.db2.gz VTRPPGHDRFNJLT-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091325 1195207960 /nfs/dbraw/zinc/20/79/60/1195207960.db2.gz VTRPPGHDRFNJLT-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091325 1195207967 /nfs/dbraw/zinc/20/79/67/1195207967.db2.gz VTRPPGHDRFNJLT-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091325 1195207975 /nfs/dbraw/zinc/20/79/75/1195207975.db2.gz VTRPPGHDRFNJLT-KZNAEPCWSA-N 2 1 363.506 0.481 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563447 1195222358 /nfs/dbraw/zinc/22/23/58/1195222358.db2.gz QDDAQLXBMWSHJI-KURKYZTESA-N 2 1 365.518 0.983 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131747 1195248515 /nfs/dbraw/zinc/24/85/15/1195248515.db2.gz JLGMORXJGIAALS-RCCFBDPRSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131747 1195248518 /nfs/dbraw/zinc/24/85/18/1195248518.db2.gz JLGMORXJGIAALS-RCCFBDPRSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131747 1195248528 /nfs/dbraw/zinc/24/85/28/1195248528.db2.gz JLGMORXJGIAALS-RCCFBDPRSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131747 1195248533 /nfs/dbraw/zinc/24/85/33/1195248533.db2.gz JLGMORXJGIAALS-RCCFBDPRSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566671 1195292455 /nfs/dbraw/zinc/29/24/55/1195292455.db2.gz WJAOMHKSZRCCEB-OQIJWPOYSA-N 2 1 361.486 0.418 20 0 FCADMP Cc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566671 1195292460 /nfs/dbraw/zinc/29/24/60/1195292460.db2.gz WJAOMHKSZRCCEB-OQIJWPOYSA-N 2 1 361.486 0.418 20 0 FCADMP Cc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566671 1195292465 /nfs/dbraw/zinc/29/24/65/1195292465.db2.gz WJAOMHKSZRCCEB-OQIJWPOYSA-N 2 1 361.486 0.418 20 0 FCADMP Cc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566671 1195292471 /nfs/dbraw/zinc/29/24/71/1195292471.db2.gz WJAOMHKSZRCCEB-OQIJWPOYSA-N 2 1 361.486 0.418 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218989 1195327191 /nfs/dbraw/zinc/32/71/91/1195327191.db2.gz DUBDMGGGVRYLEO-RCCFBDPRSA-N 2 1 365.518 0.840 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CC1 ZINC001218965315 1224273188 /nfs/dbraw/zinc/27/31/88/1224273188.db2.gz JQEWXLFZQXYWAK-RCCFBDPRSA-N 2 1 363.502 0.809 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220036 1195329814 /nfs/dbraw/zinc/32/98/14/1195329814.db2.gz BUMYKRZMDRABPA-UTRMSSBJSA-N 2 1 361.486 0.629 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220036 1195329819 /nfs/dbraw/zinc/32/98/19/1195329819.db2.gz BUMYKRZMDRABPA-UTRMSSBJSA-N 2 1 361.486 0.629 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220036 1195329825 /nfs/dbraw/zinc/32/98/25/1195329825.db2.gz BUMYKRZMDRABPA-UTRMSSBJSA-N 2 1 361.486 0.629 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220036 1195329831 /nfs/dbraw/zinc/32/98/31/1195329831.db2.gz BUMYKRZMDRABPA-UTRMSSBJSA-N 2 1 361.486 0.629 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001077233148 1195342082 /nfs/dbraw/zinc/34/20/82/1195342082.db2.gz LJAURQYTCBOSRM-IAGOWNOFSA-N 2 1 354.414 0.314 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001077233148 1195342089 /nfs/dbraw/zinc/34/20/89/1195342089.db2.gz LJAURQYTCBOSRM-IAGOWNOFSA-N 2 1 354.414 0.314 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276282 1195377502 /nfs/dbraw/zinc/37/75/02/1195377502.db2.gz VWAXTQPCEKLWOT-KBAYOESNSA-N 2 1 358.442 0.987 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219003090 1224284068 /nfs/dbraw/zinc/28/40/68/1224284068.db2.gz SUJXXVGFEPFIIT-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219003090 1224284074 /nfs/dbraw/zinc/28/40/74/1224284074.db2.gz SUJXXVGFEPFIIT-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219003090 1224284080 /nfs/dbraw/zinc/28/40/80/1224284080.db2.gz SUJXXVGFEPFIIT-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219003090 1224284085 /nfs/dbraw/zinc/28/40/85/1224284085.db2.gz SUJXXVGFEPFIIT-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396021 1195493211 /nfs/dbraw/zinc/49/32/11/1195493211.db2.gz KVMNCIRTLMYZJA-KBRIMQKVSA-N 2 1 371.441 0.026 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396115 1195494627 /nfs/dbraw/zinc/49/46/27/1195494627.db2.gz OUFXRAHAVBKFFX-BMGDILEWSA-N 2 1 358.442 0.926 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219006462 1224286110 /nfs/dbraw/zinc/28/61/10/1224286110.db2.gz JTEVKERDSKYDNM-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219006462 1224286117 /nfs/dbraw/zinc/28/61/17/1224286117.db2.gz JTEVKERDSKYDNM-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219006462 1224286125 /nfs/dbraw/zinc/28/61/25/1224286125.db2.gz JTEVKERDSKYDNM-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219006462 1224286132 /nfs/dbraw/zinc/28/61/32/1224286132.db2.gz JTEVKERDSKYDNM-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001219006793 1224287037 /nfs/dbraw/zinc/28/70/37/1224287037.db2.gz XYEWFEHRHYHIIT-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001219006793 1224287045 /nfs/dbraw/zinc/28/70/45/1224287045.db2.gz XYEWFEHRHYHIIT-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001219006793 1224287055 /nfs/dbraw/zinc/28/70/55/1224287055.db2.gz XYEWFEHRHYHIIT-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001219006793 1224287064 /nfs/dbraw/zinc/28/70/64/1224287064.db2.gz XYEWFEHRHYHIIT-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905363209 1195584145 /nfs/dbraw/zinc/58/41/45/1195584145.db2.gz XFIAGBCXGMOSRF-MUGJNUQGSA-N 2 1 364.486 0.361 20 0 FCADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905363209 1195584150 /nfs/dbraw/zinc/58/41/50/1195584150.db2.gz XFIAGBCXGMOSRF-MUGJNUQGSA-N 2 1 364.486 0.361 20 0 FCADMP CCOC(=O)[C@H]1CCCN(CC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000907757226 1195710137 /nfs/dbraw/zinc/71/01/37/1195710137.db2.gz UWNDNFPEDXRMPO-SJORKVTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907757226 1195710141 /nfs/dbraw/zinc/71/01/41/1195710141.db2.gz UWNDNFPEDXRMPO-SJORKVTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907757226 1195710150 /nfs/dbraw/zinc/71/01/50/1195710150.db2.gz UWNDNFPEDXRMPO-SJORKVTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000907757226 1195710155 /nfs/dbraw/zinc/71/01/55/1195710155.db2.gz UWNDNFPEDXRMPO-SJORKVTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000907757226 1195710166 /nfs/dbraw/zinc/71/01/66/1195710166.db2.gz UWNDNFPEDXRMPO-SJORKVTESA-N 2 1 369.506 0.879 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000908000497 1195721086 /nfs/dbraw/zinc/72/10/86/1195721086.db2.gz GAZBOGLALOAULZ-UHFFFAOYSA-N 2 1 367.582 0.935 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000908000497 1195721093 /nfs/dbraw/zinc/72/10/93/1195721093.db2.gz GAZBOGLALOAULZ-UHFFFAOYSA-N 2 1 367.582 0.935 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000908000497 1195721100 /nfs/dbraw/zinc/72/11/00/1195721100.db2.gz GAZBOGLALOAULZ-UHFFFAOYSA-N 2 1 367.582 0.935 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630936 1195802866 /nfs/dbraw/zinc/80/28/66/1195802866.db2.gz VPAXHQADRCZONV-JQHSSLGASA-N 2 1 371.441 0.611 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001219033429 1224305656 /nfs/dbraw/zinc/30/56/56/1224305656.db2.gz LBSWRKXLLAHNOX-FGTMMUONSA-N 2 1 367.490 0.189 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000910830778 1195850901 /nfs/dbraw/zinc/85/09/01/1195850901.db2.gz UJNICFJZKDRWNQ-IRXDYDNUSA-N 2 1 373.501 0.919 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000910952119 1195868350 /nfs/dbraw/zinc/86/83/50/1195868350.db2.gz HLUCLCXRYUEJCF-INIZCTEOSA-N 2 1 366.506 0.335 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000911092757 1195887813 /nfs/dbraw/zinc/88/78/13/1195887813.db2.gz VCMHPHKJYPZXFQ-RBUKOAKNSA-N 2 1 372.513 0.865 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911148920 1195899119 /nfs/dbraw/zinc/89/91/19/1195899119.db2.gz SVTKTSPIJXXSFJ-GOSISDBHSA-N 2 1 358.486 0.809 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911148920 1195899122 /nfs/dbraw/zinc/89/91/22/1195899122.db2.gz SVTKTSPIJXXSFJ-GOSISDBHSA-N 2 1 358.486 0.809 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911187110 1195904380 /nfs/dbraw/zinc/90/43/80/1195904380.db2.gz MGZOHVDYYAPKFD-MSOLQXFVSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911177151 1195911540 /nfs/dbraw/zinc/91/15/40/1195911540.db2.gz NGIXQMDAILKGTJ-NJAFHUGGSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911177151 1195911544 /nfs/dbraw/zinc/91/15/44/1195911544.db2.gz NGIXQMDAILKGTJ-NJAFHUGGSA-N 2 1 374.485 0.342 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000911208619 1195914673 /nfs/dbraw/zinc/91/46/73/1195914673.db2.gz FDPNKSMTWBMRSZ-DLBZAZTESA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000911240967 1195921175 /nfs/dbraw/zinc/92/11/75/1195921175.db2.gz BTOIKIMNMIOTEJ-QXCFHYIPSA-N 2 1 370.497 0.834 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[nH+]1 ZINC000911303915 1195931111 /nfs/dbraw/zinc/93/11/11/1195931111.db2.gz UDATWZPCYISSIG-UHFFFAOYSA-N 2 1 353.426 0.838 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911284325 1195932497 /nfs/dbraw/zinc/93/24/97/1195932497.db2.gz ZSQYKNAXSMLWQU-SFHVURJKSA-N 2 1 360.502 0.993 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911284325 1195932500 /nfs/dbraw/zinc/93/25/00/1195932500.db2.gz ZSQYKNAXSMLWQU-SFHVURJKSA-N 2 1 360.502 0.993 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318382 1195938154 /nfs/dbraw/zinc/93/81/54/1195938154.db2.gz GHNNNSWCRVCWME-SJORKVTESA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318382 1195938158 /nfs/dbraw/zinc/93/81/58/1195938158.db2.gz GHNNNSWCRVCWME-SJORKVTESA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000911318382 1195938162 /nfs/dbraw/zinc/93/81/62/1195938162.db2.gz GHNNNSWCRVCWME-SJORKVTESA-N 2 1 368.522 0.658 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000911350127 1195939284 /nfs/dbraw/zinc/93/92/84/1195939284.db2.gz AMCVGWZWAJXPBQ-CIRFHOKZSA-N 2 1 358.486 0.676 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219056123 1224326080 /nfs/dbraw/zinc/32/60/80/1224326080.db2.gz MRFGSRZSWUENMK-OKZBNKHCSA-N 2 1 371.522 0.272 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219056123 1224326092 /nfs/dbraw/zinc/32/60/92/1224326092.db2.gz MRFGSRZSWUENMK-OKZBNKHCSA-N 2 1 371.522 0.272 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219056123 1224326101 /nfs/dbraw/zinc/32/61/01/1224326101.db2.gz MRFGSRZSWUENMK-OKZBNKHCSA-N 2 1 371.522 0.272 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219056123 1224326110 /nfs/dbraw/zinc/32/61/10/1224326110.db2.gz MRFGSRZSWUENMK-OKZBNKHCSA-N 2 1 371.522 0.272 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)C[C@@H]2C(=O)N(C)C ZINC001168394575 1196497833 /nfs/dbraw/zinc/49/78/33/1196497833.db2.gz CJQQOMOIAXOROL-GOSISDBHSA-N 2 1 362.518 0.729 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592959829 1196601573 /nfs/dbraw/zinc/60/15/73/1196601573.db2.gz WSIIURMQLWGWCU-ZIAGYGMSSA-N 2 1 362.478 0.036 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000593737602 1196652000 /nfs/dbraw/zinc/65/20/00/1196652000.db2.gz PTMSWWJYZDPQEM-YESZJQIVSA-N 2 1 367.490 0.616 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001088980947 1196855847 /nfs/dbraw/zinc/85/58/47/1196855847.db2.gz XMSZBHVCWPBWLV-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001088980947 1196855849 /nfs/dbraw/zinc/85/58/49/1196855849.db2.gz XMSZBHVCWPBWLV-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088980947 1196855850 /nfs/dbraw/zinc/85/58/50/1196855850.db2.gz XMSZBHVCWPBWLV-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088980947 1196855851 /nfs/dbraw/zinc/85/58/51/1196855851.db2.gz XMSZBHVCWPBWLV-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505055 1197018903 /nfs/dbraw/zinc/01/89/03/1197018903.db2.gz LVMHOXJQPPANQZ-KZNAEPCWSA-N 2 1 361.486 0.756 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505055 1197018908 /nfs/dbraw/zinc/01/89/08/1197018908.db2.gz LVMHOXJQPPANQZ-KZNAEPCWSA-N 2 1 361.486 0.756 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)CCC1 ZINC000992688426 1197302481 /nfs/dbraw/zinc/30/24/81/1197302481.db2.gz LXRVMLFRFWZDGP-FRQCXROJSA-N 2 1 362.518 0.872 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001219262326 1224406695 /nfs/dbraw/zinc/40/66/95/1224406695.db2.gz UBSLIDQXIPATJD-GOSISDBHSA-N 2 1 359.430 0.481 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085217692 1197692861 /nfs/dbraw/zinc/69/28/61/1197692861.db2.gz MDPZMQGECJWBRZ-RBSFLKMASA-N 2 1 364.494 0.500 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274356 1197743323 /nfs/dbraw/zinc/74/33/23/1197743323.db2.gz HITDELSPWBGJTD-RCCFBDPRSA-N 2 1 366.506 0.792 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085254085 1197752804 /nfs/dbraw/zinc/75/28/04/1197752804.db2.gz RKMRNYAWTQJZQP-BZUAXINKSA-N 2 1 363.510 0.848 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085254085 1197752820 /nfs/dbraw/zinc/75/28/20/1197752820.db2.gz RKMRNYAWTQJZQP-BZUAXINKSA-N 2 1 363.510 0.848 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993070161 1197782135 /nfs/dbraw/zinc/78/21/35/1197782135.db2.gz DUWAXXAMIYTCLL-MDZRGWNJSA-N 2 1 361.490 0.839 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001273317047 1197793962 /nfs/dbraw/zinc/79/39/62/1197793962.db2.gz VGKZEHGYTXNYKZ-PSOLEGPJSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661218 1197800084 /nfs/dbraw/zinc/80/00/84/1197800084.db2.gz JYLJQFPZGFUHTD-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085394134 1197862430 /nfs/dbraw/zinc/86/24/30/1197862430.db2.gz WLPRBNOIILWCJV-FVQBIDKESA-N 2 1 361.494 0.867 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085394134 1197862431 /nfs/dbraw/zinc/86/24/31/1197862431.db2.gz WLPRBNOIILWCJV-FVQBIDKESA-N 2 1 361.494 0.867 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106336105 1197867986 /nfs/dbraw/zinc/86/79/86/1197867986.db2.gz CJJOBGNQZAARAA-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC[N@H+]1C ZINC001086091778 1198156923 /nfs/dbraw/zinc/15/69/23/1198156923.db2.gz NJHLKLWBYKVMMB-BQJWPVKWSA-N 2 1 360.506 0.980 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001086090745 1198158005 /nfs/dbraw/zinc/15/80/05/1198158005.db2.gz OZTUDJRSKSOEQP-LVQVYYBASA-N 2 1 360.506 0.939 20 0 FCADMP C[C@@H](C(=O)N1CCN(Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1)N(C)C ZINC001273403291 1198202429 /nfs/dbraw/zinc/20/24/29/1198202429.db2.gz CEUNZCIMLQTLCW-HNAYVOBHSA-N 2 1 361.490 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001086371698 1198333574 /nfs/dbraw/zinc/33/35/74/1198333574.db2.gz SWLMBTCUJGBAEJ-YHUYYLMFSA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086371725 1198334554 /nfs/dbraw/zinc/33/45/54/1198334554.db2.gz UPNVXZHRKINESW-UTGUJQJDSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086371725 1198334569 /nfs/dbraw/zinc/33/45/69/1198334569.db2.gz UPNVXZHRKINESW-UTGUJQJDSA-N 2 1 361.494 0.894 20 0 FCADMP COc1nccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400531 1198355718 /nfs/dbraw/zinc/35/57/18/1198355718.db2.gz KYJSFNWKTXBMRJ-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP COc1nccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400531 1198355725 /nfs/dbraw/zinc/35/57/25/1198355725.db2.gz KYJSFNWKTXBMRJ-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@H]([NH3+])Cc1c[nH]cn1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498347 1224488316 /nfs/dbraw/zinc/48/83/16/1224488316.db2.gz WTMJCOMIAZWEOK-KZULUSFZSA-N 2 1 370.413 0.110 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)CC1 ZINC001169254977 1199059556 /nfs/dbraw/zinc/05/95/56/1199059556.db2.gz LHEWEPQBBQUXBK-GVDBMIGSSA-N 2 1 361.490 0.866 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)CC1 ZINC001169254977 1199059560 /nfs/dbraw/zinc/05/95/60/1199059560.db2.gz LHEWEPQBBQUXBK-GVDBMIGSSA-N 2 1 361.490 0.866 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001219665385 1224548494 /nfs/dbraw/zinc/54/84/94/1224548494.db2.gz IYBYGULSKXWGQK-OIISXLGYSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001219665385 1224548500 /nfs/dbraw/zinc/54/85/00/1224548500.db2.gz IYBYGULSKXWGQK-OIISXLGYSA-N 2 1 364.490 0.985 20 0 FCADMP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722696 1224576838 /nfs/dbraw/zinc/57/68/38/1224576838.db2.gz DPQKRPHJJFRZNA-ZWKOTPCHSA-N 3 1 360.502 0.314 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737181 1224585491 /nfs/dbraw/zinc/58/54/91/1224585491.db2.gz QFGUMKGKCZZQNY-ROUUACIJSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737181 1224585495 /nfs/dbraw/zinc/58/54/95/1224585495.db2.gz QFGUMKGKCZZQNY-ROUUACIJSA-N 2 1 358.486 0.345 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109361146 1200205514 /nfs/dbraw/zinc/20/55/14/1200205514.db2.gz MUYSWDKOYKKTST-WCVJEAGWSA-N 2 1 369.485 0.413 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109361146 1200205521 /nfs/dbraw/zinc/20/55/21/1200205521.db2.gz MUYSWDKOYKKTST-WCVJEAGWSA-N 2 1 369.485 0.413 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219764870 1224600920 /nfs/dbraw/zinc/60/09/20/1224600920.db2.gz NORICLMDNJKJQJ-RYRKJORJSA-N 2 1 361.490 0.026 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219764870 1224600924 /nfs/dbraw/zinc/60/09/24/1224600924.db2.gz NORICLMDNJKJQJ-RYRKJORJSA-N 2 1 361.490 0.026 20 0 FCADMP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764450 1224601100 /nfs/dbraw/zinc/60/11/00/1224601100.db2.gz GACBRLVMISQNPL-FUMNGEBKSA-N 2 1 372.513 0.734 20 0 FCADMP O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764450 1224601105 /nfs/dbraw/zinc/60/11/05/1224601105.db2.gz GACBRLVMISQNPL-FUMNGEBKSA-N 2 1 372.513 0.734 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764567 1224601152 /nfs/dbraw/zinc/60/11/52/1224601152.db2.gz ICYIFLJKENLHPA-INWMFGNUSA-N 2 1 370.419 0.985 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764567 1224601159 /nfs/dbraw/zinc/60/11/59/1224601159.db2.gz ICYIFLJKENLHPA-INWMFGNUSA-N 2 1 370.419 0.985 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449474 1200287444 /nfs/dbraw/zinc/28/74/44/1200287444.db2.gz WVYDZBQGXPYNAO-QZWWFDLISA-N 2 1 369.506 0.074 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449473 1200287787 /nfs/dbraw/zinc/28/77/87/1200287787.db2.gz WVYDZBQGXPYNAO-NCOADZHNSA-N 2 1 369.506 0.074 20 0 FCADMP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765808 1224602119 /nfs/dbraw/zinc/60/21/19/1224602119.db2.gz CSRBOCIVKDRLDS-FHLIZLRMSA-N 2 1 353.470 0.515 20 0 FCADMP [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765808 1224602126 /nfs/dbraw/zinc/60/21/26/1224602126.db2.gz CSRBOCIVKDRLDS-FHLIZLRMSA-N 2 1 353.470 0.515 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639444 1200428658 /nfs/dbraw/zinc/42/86/58/1200428658.db2.gz VNSOOWYTKBOTRG-VSZNYVQBSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639444 1200428663 /nfs/dbraw/zinc/42/86/63/1200428663.db2.gz VNSOOWYTKBOTRG-VSZNYVQBSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639444 1200428667 /nfs/dbraw/zinc/42/86/67/1200428667.db2.gz VNSOOWYTKBOTRG-VSZNYVQBSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639444 1200428674 /nfs/dbraw/zinc/42/86/74/1200428674.db2.gz VNSOOWYTKBOTRG-VSZNYVQBSA-N 2 1 369.506 0.480 20 0 FCADMP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001109654071 1200445639 /nfs/dbraw/zinc/44/56/39/1200445639.db2.gz UOTSOLVRLUSSFD-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001109654071 1200445642 /nfs/dbraw/zinc/44/56/42/1200445642.db2.gz UOTSOLVRLUSSFD-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672713 1200460378 /nfs/dbraw/zinc/46/03/78/1200460378.db2.gz QKDDEIHIGASZBE-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672713 1200460383 /nfs/dbraw/zinc/46/03/83/1200460383.db2.gz QKDDEIHIGASZBE-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001109714877 1200473565 /nfs/dbraw/zinc/47/35/65/1200473565.db2.gz ZSFFBFCVSXELQI-TWMKSMIVSA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001109714877 1200473572 /nfs/dbraw/zinc/47/35/72/1200473572.db2.gz ZSFFBFCVSXELQI-TWMKSMIVSA-N 2 1 365.522 0.854 20 0 FCADMP Cn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cn1 ZINC001109847735 1200560638 /nfs/dbraw/zinc/56/06/38/1200560638.db2.gz FFCNJGIXVJHAQP-SQNIBIBYSA-N 2 1 361.490 0.406 20 0 FCADMP Cn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cn1 ZINC001109847735 1200560642 /nfs/dbraw/zinc/56/06/42/1200560642.db2.gz FFCNJGIXVJHAQP-SQNIBIBYSA-N 2 1 361.490 0.406 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001219800268 1224620063 /nfs/dbraw/zinc/62/00/63/1224620063.db2.gz JKSMDUBZZCIUSJ-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O ZINC001219800268 1224620068 /nfs/dbraw/zinc/62/00/68/1224620068.db2.gz JKSMDUBZZCIUSJ-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001109889883 1200590982 /nfs/dbraw/zinc/59/09/82/1200590982.db2.gz ARRZTNXUZVJFHK-SQNIBIBYSA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001109889883 1200590986 /nfs/dbraw/zinc/59/09/86/1200590986.db2.gz ARRZTNXUZVJFHK-SQNIBIBYSA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001109982620 1200674937 /nfs/dbraw/zinc/67/49/37/1200674937.db2.gz LMGVZQNACREELP-BDXSIMOUSA-N 2 1 363.502 0.999 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815922 1224632120 /nfs/dbraw/zinc/63/21/20/1224632120.db2.gz QVOFRJYIMKESDH-KSZLIROESA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815922 1224632126 /nfs/dbraw/zinc/63/21/26/1224632126.db2.gz QVOFRJYIMKESDH-KSZLIROESA-N 2 1 369.506 0.218 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000785521703 1200766557 /nfs/dbraw/zinc/76/65/57/1200766557.db2.gz VILPRKGWVLTOOE-IRXDYDNUSA-N 2 1 366.506 0.204 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546326 1200768119 /nfs/dbraw/zinc/76/81/19/1200768119.db2.gz GDAOMZCQJYLYQV-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2)C(N)=O ZINC001112546389 1200768477 /nfs/dbraw/zinc/76/84/77/1200768477.db2.gz ISODHTNJBXKWLE-BXWFABGCSA-N 2 1 366.506 0.191 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112557428 1200783669 /nfs/dbraw/zinc/78/36/69/1200783669.db2.gz GAUYPRBOJUFMJC-KSSFIOAISA-N 2 1 364.494 0.169 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112557662 1200784721 /nfs/dbraw/zinc/78/47/21/1200784721.db2.gz RIELQDOEMYSBHZ-DEYYWGMASA-N 2 1 367.494 0.130 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815744 1224631863 /nfs/dbraw/zinc/63/18/63/1224631863.db2.gz IBQDLOTXAFDJRB-SQNIBIBYSA-N 2 1 365.449 0.505 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815744 1224631869 /nfs/dbraw/zinc/63/18/69/1224631869.db2.gz IBQDLOTXAFDJRB-SQNIBIBYSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815744 1224631874 /nfs/dbraw/zinc/63/18/74/1224631874.db2.gz IBQDLOTXAFDJRB-SQNIBIBYSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815744 1224631879 /nfs/dbraw/zinc/63/18/79/1224631879.db2.gz IBQDLOTXAFDJRB-SQNIBIBYSA-N 2 1 365.449 0.505 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815922 1224632099 /nfs/dbraw/zinc/63/20/99/1224632099.db2.gz QVOFRJYIMKESDH-KSZLIROESA-N 2 1 369.506 0.218 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815922 1224632105 /nfs/dbraw/zinc/63/21/05/1224632105.db2.gz QVOFRJYIMKESDH-KSZLIROESA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112586177 1200822693 /nfs/dbraw/zinc/82/26/93/1200822693.db2.gz LBBWLYMKIMLAFG-KSSFIOAISA-N 2 1 364.494 0.167 20 0 FCADMP [NH3+]CCN(c1cc2c(nn1)C[NH2+]C2)S(=O)(=O)c1cccc2cnccc21 ZINC001170070917 1200873929 /nfs/dbraw/zinc/87/39/29/1200873929.db2.gz KBKMJWKFDPDTON-UHFFFAOYSA-N 2 1 370.438 0.782 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1 ZINC000787597325 1200895162 /nfs/dbraw/zinc/89/51/62/1200895162.db2.gz DGCRLNVCYYPZBB-OKILXGFUSA-N 2 1 354.414 0.534 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000787597325 1200895165 /nfs/dbraw/zinc/89/51/65/1200895165.db2.gz DGCRLNVCYYPZBB-OKILXGFUSA-N 2 1 354.414 0.534 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000787911900 1200919584 /nfs/dbraw/zinc/91/95/84/1200919584.db2.gz QWXYTQLNWJVWJM-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219831457 1224644093 /nfs/dbraw/zinc/64/40/93/1224644093.db2.gz LPZCUBLQILEGKW-MKXGPGLRSA-N 3 1 370.497 0.201 20 0 FCADMP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219831457 1224644101 /nfs/dbraw/zinc/64/41/01/1224644101.db2.gz LPZCUBLQILEGKW-MKXGPGLRSA-N 3 1 370.497 0.201 20 0 FCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792323155 1201184568 /nfs/dbraw/zinc/18/45/68/1201184568.db2.gz WMCNGIKCXNXPDX-GOSISDBHSA-N 2 1 370.494 0.112 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792323155 1201184573 /nfs/dbraw/zinc/18/45/73/1201184573.db2.gz WMCNGIKCXNXPDX-GOSISDBHSA-N 2 1 370.494 0.112 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000793715095 1201254340 /nfs/dbraw/zinc/25/43/40/1201254340.db2.gz WPCHGJVPPWARKL-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCCCC1 ZINC000793720961 1201256934 /nfs/dbraw/zinc/25/69/34/1201256934.db2.gz RKHJOQSGZCGLKG-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCCCC1 ZINC000793720961 1201256938 /nfs/dbraw/zinc/25/69/38/1201256938.db2.gz RKHJOQSGZCGLKG-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCCCC1 ZINC000793720962 1201257095 /nfs/dbraw/zinc/25/70/95/1201257095.db2.gz RKHJOQSGZCGLKG-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCCCC1 ZINC000793720962 1201257099 /nfs/dbraw/zinc/25/70/99/1201257099.db2.gz RKHJOQSGZCGLKG-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000793737391 1201263245 /nfs/dbraw/zinc/26/32/45/1201263245.db2.gz IHJMNFZBGWBLCT-HOTGVXAUSA-N 2 1 366.506 0.345 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393918 1201295171 /nfs/dbraw/zinc/29/51/71/1201295171.db2.gz XLWCGSQFOXMVRH-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407684 1201299145 /nfs/dbraw/zinc/29/91/45/1201299145.db2.gz SXDQOFXHPOIPAP-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407684 1201299151 /nfs/dbraw/zinc/29/91/51/1201299151.db2.gz SXDQOFXHPOIPAP-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407684 1201299157 /nfs/dbraw/zinc/29/91/57/1201299157.db2.gz SXDQOFXHPOIPAP-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453535 1201312400 /nfs/dbraw/zinc/31/24/00/1201312400.db2.gz BLLCZEHDZBWWJI-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433495 1201313364 /nfs/dbraw/zinc/31/33/64/1201313364.db2.gz CBPCOXUOBZYAIQ-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433495 1201313370 /nfs/dbraw/zinc/31/33/70/1201313370.db2.gz CBPCOXUOBZYAIQ-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438530 1201317861 /nfs/dbraw/zinc/31/78/61/1201317861.db2.gz WBACEHHHTNVMLE-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCC1 ZINC001129460275 1201326052 /nfs/dbraw/zinc/32/60/52/1201326052.db2.gz ITFFQESJHGUWJY-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCC1 ZINC001129460275 1201326058 /nfs/dbraw/zinc/32/60/58/1201326058.db2.gz ITFFQESJHGUWJY-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460708 1201327237 /nfs/dbraw/zinc/32/72/37/1201327237.db2.gz MWRRPLVSFYXFGU-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460708 1201327245 /nfs/dbraw/zinc/32/72/45/1201327245.db2.gz MWRRPLVSFYXFGU-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461595 1201327336 /nfs/dbraw/zinc/32/73/36/1201327336.db2.gz WTEDKZDKDZAPQX-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461595 1201327343 /nfs/dbraw/zinc/32/73/43/1201327343.db2.gz WTEDKZDKDZAPQX-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461595 1201327349 /nfs/dbraw/zinc/32/73/49/1201327349.db2.gz WTEDKZDKDZAPQX-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461595 1201327355 /nfs/dbraw/zinc/32/73/55/1201327355.db2.gz WTEDKZDKDZAPQX-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129684773 1201369868 /nfs/dbraw/zinc/36/98/68/1201369868.db2.gz KCCJIVNHGPZEJX-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001219877704 1224668863 /nfs/dbraw/zinc/66/88/63/1224668863.db2.gz OXQYMGVBWLSROD-SJORKVTESA-N 2 1 367.534 0.942 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625043 1201390795 /nfs/dbraw/zinc/39/07/95/1201390795.db2.gz IACCRIDGGNRBON-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625043 1201390797 /nfs/dbraw/zinc/39/07/97/1201390797.db2.gz IACCRIDGGNRBON-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625043 1201390798 /nfs/dbraw/zinc/39/07/98/1201390798.db2.gz IACCRIDGGNRBON-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625043 1201390799 /nfs/dbraw/zinc/39/07/99/1201390799.db2.gz IACCRIDGGNRBON-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011905 1201471243 /nfs/dbraw/zinc/47/12/43/1201471243.db2.gz DOOZPFBBQSBDMS-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130096784 1201499214 /nfs/dbraw/zinc/49/92/14/1201499214.db2.gz QODUDRFRZOPIHO-BBWFWOEESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130107164 1201502167 /nfs/dbraw/zinc/50/21/67/1201502167.db2.gz GSEGGWQFLIQSKT-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130137180 1201514714 /nfs/dbraw/zinc/51/47/14/1201514714.db2.gz MZSATNFQCBEORY-SJORKVTESA-N 2 1 357.462 0.555 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130137328 1201515211 /nfs/dbraw/zinc/51/52/11/1201515211.db2.gz UFNIWQJAANBWRX-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130137419 1201515263 /nfs/dbraw/zinc/51/52/63/1201515263.db2.gz YHCXFVWAPOPEIJ-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184516 1201536993 /nfs/dbraw/zinc/53/69/93/1201536993.db2.gz TVPHIXXNKZOIMF-SOLBZPMBSA-N 2 1 365.474 0.160 20 0 FCADMP Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184516 1201536997 /nfs/dbraw/zinc/53/69/97/1201536997.db2.gz TVPHIXXNKZOIMF-SOLBZPMBSA-N 2 1 365.474 0.160 20 0 FCADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1cc(C)on1 ZINC001130184629 1201537105 /nfs/dbraw/zinc/53/71/05/1201537105.db2.gz WOWVQYBFYSYVFP-HZSPNIEDSA-N 2 1 367.450 0.125 20 0 FCADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1cc(C)on1 ZINC001130184629 1201537110 /nfs/dbraw/zinc/53/71/10/1201537110.db2.gz WOWVQYBFYSYVFP-HZSPNIEDSA-N 2 1 367.450 0.125 20 0 FCADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130184653 1201537234 /nfs/dbraw/zinc/53/72/34/1201537234.db2.gz WVUUBBQNTANTPS-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130184653 1201537238 /nfs/dbraw/zinc/53/72/38/1201537238.db2.gz WVUUBBQNTANTPS-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)c2)O1 ZINC001130184413 1201537649 /nfs/dbraw/zinc/53/76/49/1201537649.db2.gz PDMGIQPFJLZCQL-CRAIPNDOSA-N 2 1 357.458 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)c2)O1 ZINC001130184413 1201537653 /nfs/dbraw/zinc/53/76/53/1201537653.db2.gz PDMGIQPFJLZCQL-CRAIPNDOSA-N 2 1 357.458 0.797 20 0 FCADMP CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1)[NH+](C)C ZINC001130221164 1201550428 /nfs/dbraw/zinc/55/04/28/1201550428.db2.gz XPIYMQRCIMXZLY-MJBXVCDLSA-N 2 1 370.473 0.583 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130220778 1201550811 /nfs/dbraw/zinc/55/08/11/1201550811.db2.gz LTKPLZZNHKUJRZ-DZKIICNBSA-N 2 1 364.494 0.632 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130221181 1201551242 /nfs/dbraw/zinc/55/12/42/1201551242.db2.gz YKLCGXVDDNLYLJ-OFQRWUPVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555785 1202715739 /nfs/dbraw/zinc/71/57/39/1202715739.db2.gz KTFNOMJVCSKFRO-JQHSSLGASA-N 2 1 361.490 0.601 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555785 1202715741 /nfs/dbraw/zinc/71/57/41/1202715741.db2.gz KTFNOMJVCSKFRO-JQHSSLGASA-N 2 1 361.490 0.601 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614895 1202731477 /nfs/dbraw/zinc/73/14/77/1202731477.db2.gz GOXPZMHMCNZAJD-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607719 1202733832 /nfs/dbraw/zinc/73/38/32/1202733832.db2.gz LWQGJXISTVXDNR-QILLFSRXSA-N 2 1 363.506 0.823 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001130670323 1202751785 /nfs/dbraw/zinc/75/17/85/1202751785.db2.gz XNEQCMARKMUOKX-DOTOQJQBSA-N 2 1 359.478 0.190 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712664 1202759430 /nfs/dbraw/zinc/75/94/30/1202759430.db2.gz GDHWSLMAHDUVGM-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130719297 1202765781 /nfs/dbraw/zinc/76/57/81/1202765781.db2.gz IBMZGLYFSBDGMK-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000806813749 1202777311 /nfs/dbraw/zinc/77/73/11/1202777311.db2.gz ANQDYACOKKKXLM-XYJFISCASA-N 2 1 368.522 0.726 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072380 1224745159 /nfs/dbraw/zinc/74/51/59/1224745159.db2.gz SSEZIMWZACWWDZ-SJORKVTESA-N 2 1 363.506 0.654 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072380 1224745164 /nfs/dbraw/zinc/74/51/64/1224745164.db2.gz SSEZIMWZACWWDZ-SJORKVTESA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130816158 1202806928 /nfs/dbraw/zinc/80/69/28/1202806928.db2.gz MYOJOLOVCHJQBT-QLFBSQMISA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130816158 1202806930 /nfs/dbraw/zinc/80/69/30/1202806930.db2.gz MYOJOLOVCHJQBT-QLFBSQMISA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130816158 1202806931 /nfs/dbraw/zinc/80/69/31/1202806931.db2.gz MYOJOLOVCHJQBT-QLFBSQMISA-N 2 1 364.494 0.981 20 0 FCADMP CCN1CCN(C(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H](C)C1 ZINC000807318285 1202820690 /nfs/dbraw/zinc/82/06/90/1202820690.db2.gz IKGKBCVMPYMVPX-MRXNPFEDSA-N 2 1 373.501 0.930 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017941 1202843763 /nfs/dbraw/zinc/84/37/63/1202843763.db2.gz UCJHGRVKKRWZHG-ZACQAIPSSA-N 2 1 363.506 0.825 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010336 1202844153 /nfs/dbraw/zinc/84/41/53/1202844153.db2.gz JJUBTLUOEJTHNW-USXIJHARSA-N 2 1 363.506 0.823 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131053951 1202854709 /nfs/dbraw/zinc/85/47/09/1202854709.db2.gz KKBMBNZOLCYLEL-MWDXBVQZSA-N 2 1 363.506 0.681 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131071890 1202856550 /nfs/dbraw/zinc/85/65/50/1202856550.db2.gz BGWMFEXTWWJDKM-HZPDHXFCSA-N 2 1 363.506 0.682 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072244 1202856775 /nfs/dbraw/zinc/85/67/75/1202856775.db2.gz PGYDGNZPVDKTIQ-HZPDHXFCSA-N 2 1 365.522 0.928 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131092072 1202861352 /nfs/dbraw/zinc/86/13/52/1202861352.db2.gz ZYXLVHBOZKRKDT-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086660096 1202872936 /nfs/dbraw/zinc/87/29/36/1202872936.db2.gz XPUKLJAATDDFTH-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP Cn1cc(C[C@@H]2CC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)cn1 ZINC000747459186 1202873104 /nfs/dbraw/zinc/87/31/04/1202873104.db2.gz AGEVFJSTPGPJCF-AWEZNQCLSA-N 2 1 360.462 0.258 20 0 FCADMP Cn1cc(C[C@@H]2CC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)cn1 ZINC000747459186 1202873108 /nfs/dbraw/zinc/87/31/08/1202873108.db2.gz AGEVFJSTPGPJCF-AWEZNQCLSA-N 2 1 360.462 0.258 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665178 1202885288 /nfs/dbraw/zinc/88/52/88/1202885288.db2.gz VDQNWVHUIDAJBF-UXLLHSPISA-N 2 1 364.494 0.312 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665178 1202885290 /nfs/dbraw/zinc/88/52/90/1202885290.db2.gz VDQNWVHUIDAJBF-UXLLHSPISA-N 2 1 364.494 0.312 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316533 1202885741 /nfs/dbraw/zinc/88/57/41/1202885741.db2.gz MMGCDHKVLSJPGC-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316533 1202885743 /nfs/dbraw/zinc/88/57/43/1202885743.db2.gz MMGCDHKVLSJPGC-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131316533 1202885746 /nfs/dbraw/zinc/88/57/46/1202885746.db2.gz MMGCDHKVLSJPGC-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131316533 1202885749 /nfs/dbraw/zinc/88/57/49/1202885749.db2.gz MMGCDHKVLSJPGC-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316715 1202885956 /nfs/dbraw/zinc/88/59/56/1202885956.db2.gz STLOHLUBRYCMDV-OAGGEKHMSA-N 2 1 368.478 0.079 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCC4CC4)C[C@H]32)C1 ZINC001131313594 1202888043 /nfs/dbraw/zinc/88/80/43/1202888043.db2.gz XAWFQYKWUXHCHI-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001086665720 1202888599 /nfs/dbraw/zinc/88/85/99/1202888599.db2.gz MEHWTCFFEGPWCJ-DAYGRLMNSA-N 2 1 361.490 0.534 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001086665720 1202888601 /nfs/dbraw/zinc/88/86/01/1202888601.db2.gz MEHWTCFFEGPWCJ-DAYGRLMNSA-N 2 1 361.490 0.534 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ncccn2)CC1 ZINC001131555406 1202913277 /nfs/dbraw/zinc/91/32/77/1202913277.db2.gz DTHHZYYORKUBTC-APWZRJJASA-N 2 1 361.490 0.914 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)C(N)=O ZINC001131608782 1202920703 /nfs/dbraw/zinc/92/07/03/1202920703.db2.gz MTGVFVYMCMGPEA-JZXOWHBKSA-N 2 1 368.522 0.576 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001134120572 1203014918 /nfs/dbraw/zinc/01/49/18/1203014918.db2.gz CAYZFVXJWQYLFJ-SJORKVTESA-N 2 1 360.502 0.952 20 0 FCADMP CCn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086731200 1203051933 /nfs/dbraw/zinc/05/19/33/1203051933.db2.gz APGDPIIYGHLFNC-KYHPRHEASA-N 2 1 363.506 0.997 20 0 FCADMP CCn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086731200 1203051938 /nfs/dbraw/zinc/05/19/38/1203051938.db2.gz APGDPIIYGHLFNC-KYHPRHEASA-N 2 1 363.506 0.997 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001086731845 1203056472 /nfs/dbraw/zinc/05/64/72/1203056472.db2.gz GGTXOTVHYLVJPY-KYHPRHEASA-N 2 1 363.506 0.822 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001086731845 1203056474 /nfs/dbraw/zinc/05/64/74/1203056474.db2.gz GGTXOTVHYLVJPY-KYHPRHEASA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086785344 1203090063 /nfs/dbraw/zinc/09/00/63/1203090063.db2.gz VAKZPOSLWRKSDM-ZMSDIMECSA-N 2 1 364.494 0.299 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001086784971 1203092460 /nfs/dbraw/zinc/09/24/60/1203092460.db2.gz DFAPCXGVOJVWIT-JZXOWHBKSA-N 2 1 363.506 0.904 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3ncnn3C)C1)CC2 ZINC001086787464 1203093828 /nfs/dbraw/zinc/09/38/28/1203093828.db2.gz SUEKLHGCHVGCOT-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000817959997 1203128440 /nfs/dbraw/zinc/12/84/40/1203128440.db2.gz JVVWESALWNLIRB-KXBFYZLASA-N 2 1 359.474 0.964 20 0 FCADMP CCOC(=O)CN(CC[NH3+])c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC001170992542 1203232274 /nfs/dbraw/zinc/23/22/74/1203232274.db2.gz OXKNGQRXADGWLG-UHFFFAOYSA-N 2 1 372.473 0.710 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119146 1224777144 /nfs/dbraw/zinc/77/71/44/1224777144.db2.gz BXJBBNUEAIFGLE-ZACQAIPSSA-N 2 1 369.506 0.218 20 0 FCADMP COCCC1([NH3+])CCN(C(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143682595 1203324999 /nfs/dbraw/zinc/32/49/99/1203324999.db2.gz XKHXFXIKGUHKDE-QZTJIDSGSA-N 2 1 361.486 0.978 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2[NH2+]CCO)cc1 ZINC001090885453 1203331883 /nfs/dbraw/zinc/33/18/83/1203331883.db2.gz QGPCLFPBTBSALG-ZWKOTPCHSA-N 2 1 358.442 0.777 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220227025 1224809747 /nfs/dbraw/zinc/80/97/47/1224809747.db2.gz FSVCCGYHXHMZCR-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220227025 1224809751 /nfs/dbraw/zinc/80/97/51/1224809751.db2.gz FSVCCGYHXHMZCR-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC1 ZINC001220228965 1224810195 /nfs/dbraw/zinc/81/01/95/1224810195.db2.gz GMUDQWGMRSWBHD-MSOLQXFVSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC1 ZINC001220228965 1224810200 /nfs/dbraw/zinc/81/02/00/1224810200.db2.gz GMUDQWGMRSWBHD-MSOLQXFVSA-N 2 1 359.470 0.720 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231068 1224811112 /nfs/dbraw/zinc/81/11/12/1224811112.db2.gz YTYZVGBUHSOCNK-SJORKVTESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231068 1224811115 /nfs/dbraw/zinc/81/11/15/1224811115.db2.gz YTYZVGBUHSOCNK-SJORKVTESA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1O ZINC001220277102 1224819560 /nfs/dbraw/zinc/81/95/60/1224819560.db2.gz QLEJWUOLEATYCE-SJORKVTESA-N 2 1 358.442 0.955 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1O ZINC001220277102 1224819562 /nfs/dbraw/zinc/81/95/62/1224819562.db2.gz QLEJWUOLEATYCE-SJORKVTESA-N 2 1 358.442 0.955 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001091096832 1204514171 /nfs/dbraw/zinc/51/41/71/1204514171.db2.gz AGVAMJXNZOCWPB-SEVFCGSRSA-N 2 1 361.490 0.533 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001091096832 1204514177 /nfs/dbraw/zinc/51/41/77/1204514177.db2.gz AGVAMJXNZOCWPB-SEVFCGSRSA-N 2 1 361.490 0.533 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CC[NH+](CCO)C3)ccn2)CC[N@H+]1C ZINC001091401443 1204668273 /nfs/dbraw/zinc/66/82/73/1204668273.db2.gz YZSDFGKVUNVUMT-ZTFGCOKTSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CC[N@H+](CCO)C3)ccn2)CC[NH+]1C ZINC001091401443 1204668281 /nfs/dbraw/zinc/66/82/81/1204668281.db2.gz YZSDFGKVUNVUMT-ZTFGCOKTSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CC[N@@H+](CCO)C3)ccn2)CC[NH+]1C ZINC001091401443 1204668287 /nfs/dbraw/zinc/66/82/87/1204668287.db2.gz YZSDFGKVUNVUMT-ZTFGCOKTSA-N 2 1 362.474 0.483 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531213 1204703909 /nfs/dbraw/zinc/70/39/09/1204703909.db2.gz MKBXFLXDUSQNFM-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531213 1204703914 /nfs/dbraw/zinc/70/39/14/1204703914.db2.gz MKBXFLXDUSQNFM-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531213 1204703919 /nfs/dbraw/zinc/70/39/19/1204703919.db2.gz MKBXFLXDUSQNFM-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543182 1204709015 /nfs/dbraw/zinc/70/90/15/1204709015.db2.gz DYQPSZRFTUMXBQ-MDZRGWNJSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543182 1204709020 /nfs/dbraw/zinc/70/90/20/1204709020.db2.gz DYQPSZRFTUMXBQ-MDZRGWNJSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543182 1204709028 /nfs/dbraw/zinc/70/90/28/1204709028.db2.gz DYQPSZRFTUMXBQ-MDZRGWNJSA-N 2 1 360.506 0.981 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544247 1204709068 /nfs/dbraw/zinc/70/90/68/1204709068.db2.gz XMNBHKHLXOQQQH-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544247 1204709077 /nfs/dbraw/zinc/70/90/77/1204709077.db2.gz XMNBHKHLXOQQQH-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091544247 1204709083 /nfs/dbraw/zinc/70/90/83/1204709083.db2.gz XMNBHKHLXOQQQH-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091544247 1204709088 /nfs/dbraw/zinc/70/90/88/1204709088.db2.gz XMNBHKHLXOQQQH-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC2CCC2)C3)CC[N@@H+]1C ZINC001147583795 1204798799 /nfs/dbraw/zinc/79/87/99/1204798799.db2.gz VYMYHBWQMNLCTG-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC2CCC2)C3)CC[N@H+]1C ZINC001147583795 1204798802 /nfs/dbraw/zinc/79/88/02/1204798802.db2.gz VYMYHBWQMNLCTG-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC2CCC2)C3)CC[NH+]1C ZINC001147583795 1204798807 /nfs/dbraw/zinc/79/88/07/1204798807.db2.gz VYMYHBWQMNLCTG-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC2CCC2)C3)CC[NH+]1C ZINC001147583795 1204798813 /nfs/dbraw/zinc/79/88/13/1204798813.db2.gz VYMYHBWQMNLCTG-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387276 1224852194 /nfs/dbraw/zinc/85/21/94/1224852194.db2.gz FWPHOILKWQDEKH-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091680240 1204820823 /nfs/dbraw/zinc/82/08/23/1204820823.db2.gz ZSPIITHFSPEISF-FCEWJHQRSA-N 2 1 363.506 0.874 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001091735743 1204836850 /nfs/dbraw/zinc/83/68/50/1204836850.db2.gz WHGDMDJEIXVRLR-POAQFYNOSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091735743 1204836853 /nfs/dbraw/zinc/83/68/53/1204836853.db2.gz WHGDMDJEIXVRLR-POAQFYNOSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091735743 1204836854 /nfs/dbraw/zinc/83/68/54/1204836854.db2.gz WHGDMDJEIXVRLR-POAQFYNOSA-N 2 1 365.518 0.793 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091754358 1204844212 /nfs/dbraw/zinc/84/42/12/1204844212.db2.gz OUHLLJZASNEZID-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091754358 1204844214 /nfs/dbraw/zinc/84/42/14/1204844214.db2.gz OUHLLJZASNEZID-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)C1 ZINC001086880896 1204855943 /nfs/dbraw/zinc/85/59/43/1204855943.db2.gz URNNCAIRGPRYNY-JQHSSLGASA-N 2 1 363.506 0.824 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)C1 ZINC001086880896 1204855944 /nfs/dbraw/zinc/85/59/44/1204855944.db2.gz URNNCAIRGPRYNY-JQHSSLGASA-N 2 1 363.506 0.824 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086882663 1204856991 /nfs/dbraw/zinc/85/69/91/1204856991.db2.gz DRWYPOXMVGVMOJ-GVDBMIGSSA-N 2 1 365.522 0.761 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086882773 1204857055 /nfs/dbraw/zinc/85/70/55/1204857055.db2.gz LKDSSLBGWADVIN-ZNMIVQPWSA-N 2 1 364.494 0.357 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001086971019 1204870503 /nfs/dbraw/zinc/87/05/03/1204870503.db2.gz SWUQYGLOIQIZME-KSZLIROESA-N 2 1 371.489 0.332 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086993145 1204884484 /nfs/dbraw/zinc/88/44/84/1204884484.db2.gz JAAZOHQOCAOQHA-BPQIPLTHSA-N 2 1 363.506 0.418 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009654 1204897088 /nfs/dbraw/zinc/89/70/88/1204897088.db2.gz RCZCYEXFGVQWNS-BPQIPLTHSA-N 2 1 371.489 0.190 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087035022 1204910915 /nfs/dbraw/zinc/91/09/15/1204910915.db2.gz IJPMIMFWPSQDSQ-FGTMMUONSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087038800 1204916650 /nfs/dbraw/zinc/91/66/50/1204916650.db2.gz ZPVKPWLTQFJNCZ-ZACQAIPSSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087038800 1204916652 /nfs/dbraw/zinc/91/66/52/1204916652.db2.gz ZPVKPWLTQFJNCZ-ZACQAIPSSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087053982 1204934207 /nfs/dbraw/zinc/93/42/07/1204934207.db2.gz OQJIRJWVHLTMNB-HYVNUMGLSA-N 2 1 365.478 0.896 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087059371 1204942640 /nfs/dbraw/zinc/94/26/40/1204942640.db2.gz BIXCYFDKZWPRSW-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087060519 1204945325 /nfs/dbraw/zinc/94/53/25/1204945325.db2.gz KMSIZQCMWFXEIU-HYVNUMGLSA-N 2 1 365.478 0.897 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087063190 1204950023 /nfs/dbraw/zinc/95/00/23/1204950023.db2.gz MEXNJTHKAWKSLA-OWCLPIDISA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087063190 1204950028 /nfs/dbraw/zinc/95/00/28/1204950028.db2.gz MEXNJTHKAWKSLA-OWCLPIDISA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087063396 1204950798 /nfs/dbraw/zinc/95/07/98/1204950798.db2.gz WSUKLNCVTXSLAE-BRWVUGGUSA-N 2 1 361.490 0.914 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087066483 1204954502 /nfs/dbraw/zinc/95/45/02/1204954502.db2.gz DIBPHZRSCLSPEL-HZPDHXFCSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083355 1204969667 /nfs/dbraw/zinc/96/96/67/1204969667.db2.gz ASJQDBQIOKBZGA-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083402 1204969862 /nfs/dbraw/zinc/96/98/62/1204969862.db2.gz CHTFBIJBLDQMJB-ARFHVFGLSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083845 1204972310 /nfs/dbraw/zinc/97/23/10/1204972310.db2.gz VMBHUVZCMQOFME-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087100994 1204997432 /nfs/dbraw/zinc/99/74/32/1204997432.db2.gz OISFTCSIHHBLLO-SQWLQELKSA-N 2 1 366.462 0.588 20 0 FCADMP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091856619 1205051771 /nfs/dbraw/zinc/05/17/71/1205051771.db2.gz VPGHNQKNKXLBSR-ALKREAHSSA-N 2 1 353.426 0.617 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CCn4cncn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953426 1205089824 /nfs/dbraw/zinc/08/98/24/1205089824.db2.gz JZWGTIRTRVAZJG-BMFAXAFESA-N 2 1 360.506 0.789 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953426 1205089829 /nfs/dbraw/zinc/08/98/29/1205089829.db2.gz JZWGTIRTRVAZJG-BMFAXAFESA-N 2 1 360.506 0.789 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953426 1205089833 /nfs/dbraw/zinc/08/98/33/1205089833.db2.gz JZWGTIRTRVAZJG-BMFAXAFESA-N 2 1 360.506 0.789 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975005 1205105923 /nfs/dbraw/zinc/10/59/23/1205105923.db2.gz BJZOABONXAJVHK-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013444 1205113725 /nfs/dbraw/zinc/11/37/25/1205113725.db2.gz QLVIHXKYDQJAOA-MDASCCDHSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013444 1205113730 /nfs/dbraw/zinc/11/37/30/1205113730.db2.gz QLVIHXKYDQJAOA-MDASCCDHSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013444 1205113738 /nfs/dbraw/zinc/11/37/38/1205113738.db2.gz QLVIHXKYDQJAOA-MDASCCDHSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013443 1205113847 /nfs/dbraw/zinc/11/38/47/1205113847.db2.gz QLVIHXKYDQJAOA-CCKFTAQKSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013443 1205113855 /nfs/dbraw/zinc/11/38/55/1205113855.db2.gz QLVIHXKYDQJAOA-CCKFTAQKSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013443 1205113861 /nfs/dbraw/zinc/11/38/61/1205113861.db2.gz QLVIHXKYDQJAOA-CCKFTAQKSA-N 2 1 368.497 0.725 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431611 1224870049 /nfs/dbraw/zinc/87/00/49/1224870049.db2.gz KWGMCNRRGCFEFM-SFHLNBCPSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1COCCN1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431611 1224870056 /nfs/dbraw/zinc/87/00/56/1224870056.db2.gz KWGMCNRRGCFEFM-SFHLNBCPSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1COCCN1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431611 1224870060 /nfs/dbraw/zinc/87/00/60/1224870060.db2.gz KWGMCNRRGCFEFM-SFHLNBCPSA-N 2 1 372.513 0.593 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060655 1205130146 /nfs/dbraw/zinc/13/01/46/1205130146.db2.gz BRHNZMXFBBOEHO-CLCXKQKWSA-N 2 1 361.490 0.921 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060655 1205130147 /nfs/dbraw/zinc/13/01/47/1205130147.db2.gz BRHNZMXFBBOEHO-CLCXKQKWSA-N 2 1 361.490 0.921 20 0 FCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101516 1205158170 /nfs/dbraw/zinc/15/81/70/1205158170.db2.gz HLNXAOPCZRBCMA-APWZRJJASA-N 2 1 361.490 0.423 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101516 1205158173 /nfs/dbraw/zinc/15/81/73/1205158173.db2.gz HLNXAOPCZRBCMA-APWZRJJASA-N 2 1 361.490 0.423 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092205602 1205197015 /nfs/dbraw/zinc/19/70/15/1205197015.db2.gz AILUKKQOMBTTDT-LIVBEALHSA-N 2 1 371.485 0.772 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203377 1205197559 /nfs/dbraw/zinc/19/75/59/1205197559.db2.gz MOKHVYMCANSULC-GJYPPUQNSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203312 1205198064 /nfs/dbraw/zinc/19/80/64/1205198064.db2.gz JDOYUTSYGYTGMZ-RKVPGOIHSA-N 2 1 358.490 0.752 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203312 1205198071 /nfs/dbraw/zinc/19/80/71/1205198071.db2.gz JDOYUTSYGYTGMZ-RKVPGOIHSA-N 2 1 358.490 0.752 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001092275845 1205222405 /nfs/dbraw/zinc/22/24/05/1205222405.db2.gz SUEDCUAEYXWBNY-AOIWGVFYSA-N 2 1 361.490 0.120 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092278387 1205224634 /nfs/dbraw/zinc/22/46/34/1205224634.db2.gz NGMDSITYFUYLIC-MDZRGWNJSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092278387 1205224635 /nfs/dbraw/zinc/22/46/35/1205224635.db2.gz NGMDSITYFUYLIC-MDZRGWNJSA-N 2 1 369.473 0.751 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)cc1=O ZINC001092509493 1205298398 /nfs/dbraw/zinc/29/83/98/1205298398.db2.gz AQRZNJLUNZGABH-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1=O ZINC001092509493 1205298402 /nfs/dbraw/zinc/29/84/02/1205298402.db2.gz AQRZNJLUNZGABH-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@H](C)C2)cc1=O ZINC001092509493 1205298406 /nfs/dbraw/zinc/29/84/06/1205298406.db2.gz AQRZNJLUNZGABH-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522650 1205302208 /nfs/dbraw/zinc/30/22/08/1205302208.db2.gz SOEGVYPCKPDTGA-BFYDXBDKSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522650 1205302210 /nfs/dbraw/zinc/30/22/10/1205302210.db2.gz SOEGVYPCKPDTGA-BFYDXBDKSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522650 1205302211 /nfs/dbraw/zinc/30/22/11/1205302211.db2.gz SOEGVYPCKPDTGA-BFYDXBDKSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522650 1205302213 /nfs/dbraw/zinc/30/22/13/1205302213.db2.gz SOEGVYPCKPDTGA-BFYDXBDKSA-N 2 1 362.474 0.605 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611524 1205313786 /nfs/dbraw/zinc/31/37/86/1205313786.db2.gz ZEYQNCAODPCBDJ-QGPMSJSTSA-N 2 1 360.506 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676433 1205336371 /nfs/dbraw/zinc/33/63/71/1205336371.db2.gz YBZBIKBYYOJVQZ-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676433 1205336373 /nfs/dbraw/zinc/33/63/73/1205336373.db2.gz YBZBIKBYYOJVQZ-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676433 1205336377 /nfs/dbraw/zinc/33/63/77/1205336377.db2.gz YBZBIKBYYOJVQZ-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911465 1205941436 /nfs/dbraw/zinc/94/14/36/1205941436.db2.gz RVSCWZCVDQALQS-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911465 1205941439 /nfs/dbraw/zinc/94/14/39/1205941439.db2.gz RVSCWZCVDQALQS-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911465 1205941441 /nfs/dbraw/zinc/94/14/41/1205941441.db2.gz RVSCWZCVDQALQS-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092919247 1205944224 /nfs/dbraw/zinc/94/42/24/1205944224.db2.gz HPLNMEHZEOTKAH-BMFZPTHFSA-N 2 1 362.474 0.870 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092919639 1205946128 /nfs/dbraw/zinc/94/61/28/1205946128.db2.gz VTVXBRYHJAOIFI-FVQBIDKESA-N 2 1 361.490 0.526 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092919639 1205946133 /nfs/dbraw/zinc/94/61/33/1205946133.db2.gz VTVXBRYHJAOIFI-FVQBIDKESA-N 2 1 361.490 0.526 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935438 1205962024 /nfs/dbraw/zinc/96/20/24/1205962024.db2.gz YFSCQWJBZOQILC-KBAYOESNSA-N 2 1 363.506 0.270 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092965046 1205967103 /nfs/dbraw/zinc/96/71/03/1205967103.db2.gz CREPWGMSAWYDIM-FVQBIDKESA-N 2 1 361.490 0.526 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092965046 1205967105 /nfs/dbraw/zinc/96/71/05/1205967105.db2.gz CREPWGMSAWYDIM-FVQBIDKESA-N 2 1 361.490 0.526 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133435 1206032865 /nfs/dbraw/zinc/03/28/65/1206032865.db2.gz FJQGKJAPBGUFLQ-ZACQAIPSSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136980 1206033524 /nfs/dbraw/zinc/03/35/24/1206033524.db2.gz GKQVGACANUEFEZ-CPUCHLNUSA-N 2 1 359.474 0.724 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194385 1206052935 /nfs/dbraw/zinc/05/29/35/1206052935.db2.gz YGZZKQMPMOKDON-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194385 1206052939 /nfs/dbraw/zinc/05/29/39/1206052939.db2.gz YGZZKQMPMOKDON-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001093194385 1206052944 /nfs/dbraw/zinc/05/29/44/1206052944.db2.gz YGZZKQMPMOKDON-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001093194385 1206052948 /nfs/dbraw/zinc/05/29/48/1206052948.db2.gz YGZZKQMPMOKDON-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001093673003 1206099623 /nfs/dbraw/zinc/09/96/23/1206099623.db2.gz HZOZSXWDGZBJKF-MCIONIFRSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001093690848 1206101035 /nfs/dbraw/zinc/10/10/35/1206101035.db2.gz GYZYNJMWYGFBCM-RKVPGOIHSA-N 2 1 361.490 0.344 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001093690848 1206101038 /nfs/dbraw/zinc/10/10/38/1206101038.db2.gz GYZYNJMWYGFBCM-RKVPGOIHSA-N 2 1 361.490 0.344 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093825979 1206124373 /nfs/dbraw/zinc/12/43/73/1206124373.db2.gz UTCUMLMXWWEDJU-ZIAGYGMSSA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093835993 1206128026 /nfs/dbraw/zinc/12/80/26/1206128026.db2.gz SIHIXOJGZXPMFT-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857568 1206135364 /nfs/dbraw/zinc/13/53/64/1206135364.db2.gz LPZODZMQGHBJTP-GZOSKZMVSA-N 2 1 363.506 0.632 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857568 1206135365 /nfs/dbraw/zinc/13/53/65/1206135365.db2.gz LPZODZMQGHBJTP-GZOSKZMVSA-N 2 1 363.506 0.632 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001093920956 1206149882 /nfs/dbraw/zinc/14/98/82/1206149882.db2.gz CYLWJJCYIRAKRG-TZMCWYRMSA-N 2 1 358.450 0.397 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093929773 1206152086 /nfs/dbraw/zinc/15/20/86/1206152086.db2.gz DGMBBPHWPLEADZ-YACWJRGASA-N 2 1 361.446 0.117 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)C1 ZINC001093993399 1206165540 /nfs/dbraw/zinc/16/55/40/1206165540.db2.gz LBLFCHBAGOQJNM-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)C1 ZINC001093993399 1206165541 /nfs/dbraw/zinc/16/55/41/1206165541.db2.gz LBLFCHBAGOQJNM-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093993032 1206165605 /nfs/dbraw/zinc/16/56/05/1206165605.db2.gz AALQMECDTSMHBU-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093993032 1206165607 /nfs/dbraw/zinc/16/56/07/1206165607.db2.gz AALQMECDTSMHBU-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001094042143 1206174497 /nfs/dbraw/zinc/17/44/97/1206174497.db2.gz LHCIXOGLWWRWEF-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1ncccn1 ZINC001094110780 1206185975 /nfs/dbraw/zinc/18/59/75/1206185975.db2.gz OCIYLARWJZCPLG-BRWVUGGUSA-N 2 1 361.490 0.944 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1C ZINC001094165579 1206197892 /nfs/dbraw/zinc/19/78/92/1206197892.db2.gz RNSNNWDDUCEABS-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094165866 1206197896 /nfs/dbraw/zinc/19/78/96/1206197896.db2.gz CCEDDCUOYCQSDC-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094219030 1206202827 /nfs/dbraw/zinc/20/28/27/1206202827.db2.gz BMPGXJVXUYPJKB-VNQPRFMTSA-N 2 1 360.506 0.828 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417353 1206224052 /nfs/dbraw/zinc/22/40/52/1206224052.db2.gz WDJORIVDWIEDDE-KVSKMBFKSA-N 2 1 363.506 0.800 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577904 1206240438 /nfs/dbraw/zinc/24/04/38/1206240438.db2.gz OWPDUUVGUWCWQB-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577904 1206240439 /nfs/dbraw/zinc/24/04/39/1206240439.db2.gz OWPDUUVGUWCWQB-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577904 1206240440 /nfs/dbraw/zinc/24/04/40/1206240440.db2.gz OWPDUUVGUWCWQB-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](CCCC[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500598 1206249423 /nfs/dbraw/zinc/24/94/23/1206249423.db2.gz LLVZCCSYMAHCIA-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](CCCC[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500598 1206249429 /nfs/dbraw/zinc/24/94/29/1206249429.db2.gz LLVZCCSYMAHCIA-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](CCCC[NH2+]CCc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500982 1206249603 /nfs/dbraw/zinc/24/96/03/1206249603.db2.gz OQANYVYAWFAZBS-JFIYKMOQSA-N 2 1 365.522 0.946 20 0 FCADMP C[C@H](CCCC[NH2+]CCc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500982 1206249607 /nfs/dbraw/zinc/24/96/07/1206249607.db2.gz OQANYVYAWFAZBS-JFIYKMOQSA-N 2 1 365.522 0.946 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001171930341 1206253891 /nfs/dbraw/zinc/25/38/91/1206253891.db2.gz FCQMLTFRHISIPK-VQTJNVASSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001171930341 1206253897 /nfs/dbraw/zinc/25/38/97/1206253897.db2.gz FCQMLTFRHISIPK-VQTJNVASSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172172518 1206258793 /nfs/dbraw/zinc/25/87/93/1206258793.db2.gz FIKWBLPUYCCPGL-HOTGVXAUSA-N 2 1 359.474 0.664 20 0 FCADMP COC(=O)N1CCC([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001172737726 1206263571 /nfs/dbraw/zinc/26/35/71/1206263571.db2.gz JVROMWXOQQZAMW-UHFFFAOYSA-N 2 1 363.462 0.741 20 0 FCADMP COC(=O)N1CCC([N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001172737726 1206263575 /nfs/dbraw/zinc/26/35/75/1206263575.db2.gz JVROMWXOQQZAMW-UHFFFAOYSA-N 2 1 363.462 0.741 20 0 FCADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220570865 1224939459 /nfs/dbraw/zinc/93/94/59/1224939459.db2.gz BPEBZHYYVOSCDF-UZLBHIALSA-N 2 1 356.470 0.161 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCN(CC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173485476 1206273914 /nfs/dbraw/zinc/27/39/14/1206273914.db2.gz FFHBJIBHTPAAJP-MSOLQXFVSA-N 2 1 374.485 0.409 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001178692545 1206362788 /nfs/dbraw/zinc/36/27/88/1206362788.db2.gz PKEDWUGEKYRGEO-MWDXBVQZSA-N 2 1 359.474 0.918 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001178692545 1206362792 /nfs/dbraw/zinc/36/27/92/1206362792.db2.gz PKEDWUGEKYRGEO-MWDXBVQZSA-N 2 1 359.474 0.918 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810827 1206365845 /nfs/dbraw/zinc/36/58/45/1206365845.db2.gz MEBROAUFQOCWHW-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810827 1206365847 /nfs/dbraw/zinc/36/58/47/1206365847.db2.gz MEBROAUFQOCWHW-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CC(C)N1CCN(CC(=O)N2CCN(CCc3ccncc3)CC2)CC1 ZINC001180347124 1206393194 /nfs/dbraw/zinc/39/31/94/1206393194.db2.gz MGYIKIHOKIWYND-UHFFFAOYSA-N 2 1 359.518 0.794 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001180759309 1206398744 /nfs/dbraw/zinc/39/87/44/1206398744.db2.gz OJWWTVATGJLCDU-KRWDZBQOSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001180759309 1206398746 /nfs/dbraw/zinc/39/87/46/1206398746.db2.gz OJWWTVATGJLCDU-KRWDZBQOSA-N 2 1 367.490 0.583 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CCn1cncn1 ZINC001181884971 1206416851 /nfs/dbraw/zinc/41/68/51/1206416851.db2.gz NPWWNEGWRDUWHJ-YFHUEUNASA-N 2 1 364.494 0.071 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CCn1cncn1 ZINC001181884971 1206416853 /nfs/dbraw/zinc/41/68/53/1206416853.db2.gz NPWWNEGWRDUWHJ-YFHUEUNASA-N 2 1 364.494 0.071 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001182032263 1206419130 /nfs/dbraw/zinc/41/91/30/1206419130.db2.gz SYMYQYKZRCBLRF-ZWKOTPCHSA-N 2 1 374.485 0.340 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000774814397 1206474745 /nfs/dbraw/zinc/47/47/45/1206474745.db2.gz HYHIZDLKTQUZNO-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001185227693 1206475935 /nfs/dbraw/zinc/47/59/35/1206475935.db2.gz XHKGJYKSBYUGHP-RDJZCZTQSA-N 2 1 355.442 0.920 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001185227693 1206475937 /nfs/dbraw/zinc/47/59/37/1206475937.db2.gz XHKGJYKSBYUGHP-RDJZCZTQSA-N 2 1 355.442 0.920 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185240052 1206476135 /nfs/dbraw/zinc/47/61/35/1206476135.db2.gz BHEUGHKSWARGMO-LNLFQRSKSA-N 2 1 361.486 0.977 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185240052 1206476136 /nfs/dbraw/zinc/47/61/36/1206476136.db2.gz BHEUGHKSWARGMO-LNLFQRSKSA-N 2 1 361.486 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186383562 1206496758 /nfs/dbraw/zinc/49/67/58/1206496758.db2.gz ZHQQFJOQINQRMW-HRCADAONSA-N 2 1 366.506 0.047 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000775036649 1206499502 /nfs/dbraw/zinc/49/95/02/1206499502.db2.gz XKGPUUCYHOLTJV-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952031 1207405608 /nfs/dbraw/zinc/40/56/08/1207405608.db2.gz QPRGAAULPRKYJC-SOLBZPMBSA-N 2 1 363.506 0.752 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212019 1207434527 /nfs/dbraw/zinc/43/45/27/1207434527.db2.gz AGPQBJGYTMEFGP-RYQLBKOJSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212019 1207434528 /nfs/dbraw/zinc/43/45/28/1207434528.db2.gz AGPQBJGYTMEFGP-RYQLBKOJSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212019 1207434532 /nfs/dbraw/zinc/43/45/32/1207434532.db2.gz AGPQBJGYTMEFGP-RYQLBKOJSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188350055 1207450554 /nfs/dbraw/zinc/45/05/54/1207450554.db2.gz UBHRPCQCAWMYFX-JRPNMDOOSA-N 2 1 370.413 0.293 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188350055 1207450557 /nfs/dbraw/zinc/45/05/57/1207450557.db2.gz UBHRPCQCAWMYFX-JRPNMDOOSA-N 2 1 370.413 0.293 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001188673220 1207474724 /nfs/dbraw/zinc/47/47/24/1207474724.db2.gz FUQZOJOWEQRKEO-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188970013 1207492602 /nfs/dbraw/zinc/49/26/02/1207492602.db2.gz DRBQCWYLVILKSQ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188970013 1207492608 /nfs/dbraw/zinc/49/26/08/1207492608.db2.gz DRBQCWYLVILKSQ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126654 1207508757 /nfs/dbraw/zinc/50/87/57/1207508757.db2.gz JJFNFOMDCJKDAG-YESZJQIVSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126654 1207508761 /nfs/dbraw/zinc/50/87/61/1207508761.db2.gz JJFNFOMDCJKDAG-YESZJQIVSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126654 1207508765 /nfs/dbraw/zinc/50/87/65/1207508765.db2.gz JJFNFOMDCJKDAG-YESZJQIVSA-N 2 1 365.522 0.569 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667643 1225002626 /nfs/dbraw/zinc/00/26/26/1225002626.db2.gz OJRIXOQAOXICNE-ZACQAIPSSA-N 2 1 368.522 0.312 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667643 1225002634 /nfs/dbraw/zinc/00/26/34/1225002634.db2.gz OJRIXOQAOXICNE-ZACQAIPSSA-N 2 1 368.522 0.312 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189484344 1207564219 /nfs/dbraw/zinc/56/42/19/1207564219.db2.gz GPTCXJSIRAVBBO-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189484344 1207564220 /nfs/dbraw/zinc/56/42/20/1207564220.db2.gz GPTCXJSIRAVBBO-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189669620 1207580758 /nfs/dbraw/zinc/58/07/58/1207580758.db2.gz XZRYIMRHYBFHTK-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189669620 1207580764 /nfs/dbraw/zinc/58/07/64/1207580764.db2.gz XZRYIMRHYBFHTK-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189669620 1207580768 /nfs/dbraw/zinc/58/07/68/1207580768.db2.gz XZRYIMRHYBFHTK-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189669620 1207580775 /nfs/dbraw/zinc/58/07/75/1207580775.db2.gz XZRYIMRHYBFHTK-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189653840 1207583767 /nfs/dbraw/zinc/58/37/67/1207583767.db2.gz ZBRIDKSOXCBMIQ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189653840 1207583774 /nfs/dbraw/zinc/58/37/74/1207583774.db2.gz ZBRIDKSOXCBMIQ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189653840 1207583782 /nfs/dbraw/zinc/58/37/82/1207583782.db2.gz ZBRIDKSOXCBMIQ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189653840 1207583786 /nfs/dbraw/zinc/58/37/86/1207583786.db2.gz ZBRIDKSOXCBMIQ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820038 1207604646 /nfs/dbraw/zinc/60/46/46/1207604646.db2.gz LNFKWXCDONRBJI-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820038 1207604652 /nfs/dbraw/zinc/60/46/52/1207604652.db2.gz LNFKWXCDONRBJI-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820038 1207604657 /nfs/dbraw/zinc/60/46/57/1207604657.db2.gz LNFKWXCDONRBJI-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820038 1207604663 /nfs/dbraw/zinc/60/46/63/1207604663.db2.gz LNFKWXCDONRBJI-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820200 1207606265 /nfs/dbraw/zinc/60/62/65/1207606265.db2.gz VVNFATPQXRHLHK-RCCFBDPRSA-N 2 1 371.522 0.131 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801728 1207609879 /nfs/dbraw/zinc/60/98/79/1207609879.db2.gz JZBRUXRDVGBGAH-RCCFBDPRSA-N 2 1 363.502 0.811 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149228 1207648904 /nfs/dbraw/zinc/64/89/04/1207648904.db2.gz VEIKPLFYWBRGBU-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149228 1207648913 /nfs/dbraw/zinc/64/89/13/1207648913.db2.gz VEIKPLFYWBRGBU-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149228 1207648918 /nfs/dbraw/zinc/64/89/18/1207648918.db2.gz VEIKPLFYWBRGBU-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1)NCC1CC1 ZINC001190319117 1207675348 /nfs/dbraw/zinc/67/53/48/1207675348.db2.gz WOVKKHCLNSBZMO-ZWKOTPCHSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1)NCC1CC1 ZINC001190319117 1207675354 /nfs/dbraw/zinc/67/53/54/1207675354.db2.gz WOVKKHCLNSBZMO-ZWKOTPCHSA-N 2 1 362.518 0.921 20 0 FCADMP CN(CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001190466935 1207690387 /nfs/dbraw/zinc/69/03/87/1207690387.db2.gz IQDGPPKWPZAWPX-RBUKOAKNSA-N 2 1 361.486 0.660 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001190466935 1207690396 /nfs/dbraw/zinc/69/03/96/1207690396.db2.gz IQDGPPKWPZAWPX-RBUKOAKNSA-N 2 1 361.486 0.660 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001190466935 1207690409 /nfs/dbraw/zinc/69/04/09/1207690409.db2.gz IQDGPPKWPZAWPX-RBUKOAKNSA-N 2 1 361.486 0.660 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)Cc1ccccc1 ZINC001190466935 1207690414 /nfs/dbraw/zinc/69/04/14/1207690414.db2.gz IQDGPPKWPZAWPX-RBUKOAKNSA-N 2 1 361.486 0.660 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220689232 1225016075 /nfs/dbraw/zinc/01/60/75/1225016075.db2.gz AQQKVRAPVYNOBA-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220689232 1225016081 /nfs/dbraw/zinc/01/60/81/1225016081.db2.gz AQQKVRAPVYNOBA-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220689232 1225016085 /nfs/dbraw/zinc/01/60/85/1225016085.db2.gz AQQKVRAPVYNOBA-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220689232 1225016093 /nfs/dbraw/zinc/01/60/93/1225016093.db2.gz AQQKVRAPVYNOBA-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001193754909 1207889698 /nfs/dbraw/zinc/88/96/98/1207889698.db2.gz CYJMLTLDOYDYDW-IXDOHACOSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001193754909 1207889700 /nfs/dbraw/zinc/88/97/00/1207889700.db2.gz CYJMLTLDOYDYDW-IXDOHACOSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001193754909 1207889701 /nfs/dbraw/zinc/88/97/01/1207889701.db2.gz CYJMLTLDOYDYDW-IXDOHACOSA-N 2 1 363.506 0.411 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001193745873 1207889799 /nfs/dbraw/zinc/88/97/99/1207889799.db2.gz JHTQORMWFMGXOP-QZTJIDSGSA-N 2 1 360.502 0.898 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001193756523 1207890163 /nfs/dbraw/zinc/89/01/63/1207890163.db2.gz SNJIIDCVCPEFTK-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001193756523 1207890164 /nfs/dbraw/zinc/89/01/64/1207890164.db2.gz SNJIIDCVCPEFTK-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001193756523 1207890165 /nfs/dbraw/zinc/89/01/65/1207890165.db2.gz SNJIIDCVCPEFTK-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001193756523 1207890169 /nfs/dbraw/zinc/89/01/69/1207890169.db2.gz SNJIIDCVCPEFTK-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CCC1 ZINC001193766221 1207890875 /nfs/dbraw/zinc/89/08/75/1207890875.db2.gz PSGFBZDLKLCGPI-RCCFBDPRSA-N 2 1 361.486 0.236 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cc1 ZINC001193821724 1207892478 /nfs/dbraw/zinc/89/24/78/1207892478.db2.gz QZFUEJWRVFBAJM-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cc1 ZINC001193821724 1207892480 /nfs/dbraw/zinc/89/24/80/1207892480.db2.gz QZFUEJWRVFBAJM-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)cc1 ZINC001193821724 1207892483 /nfs/dbraw/zinc/89/24/83/1207892483.db2.gz QZFUEJWRVFBAJM-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001193821724 1207892484 /nfs/dbraw/zinc/89/24/84/1207892484.db2.gz QZFUEJWRVFBAJM-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCc2c(n[nH]c2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273665710 1207893292 /nfs/dbraw/zinc/89/32/92/1207893292.db2.gz CJKQEBQFTRZFCH-UHFFFAOYSA-N 2 1 362.478 0.070 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001193929221 1207895958 /nfs/dbraw/zinc/89/59/58/1207895958.db2.gz HCDFPBCWEDRJAE-KURKYZTESA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001193929221 1207895960 /nfs/dbraw/zinc/89/59/60/1207895960.db2.gz HCDFPBCWEDRJAE-KURKYZTESA-N 2 1 367.465 0.952 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O)[NH+](C)C ZINC001194095730 1207918152 /nfs/dbraw/zinc/91/81/52/1207918152.db2.gz NDMGNSJIWAMTBN-GUDVDZBRSA-N 2 1 361.486 0.761 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)C1CCCCC1 ZINC001194997428 1207987989 /nfs/dbraw/zinc/98/79/89/1207987989.db2.gz QVWDAIYBSMCJFJ-QZTJIDSGSA-N 2 1 363.506 0.699 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)C1CCCCC1 ZINC001194997428 1207987991 /nfs/dbraw/zinc/98/79/91/1207987991.db2.gz QVWDAIYBSMCJFJ-QZTJIDSGSA-N 2 1 363.506 0.699 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C1CCCCC1 ZINC001194997428 1207987994 /nfs/dbraw/zinc/98/79/94/1207987994.db2.gz QVWDAIYBSMCJFJ-QZTJIDSGSA-N 2 1 363.506 0.699 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195690758 1208033368 /nfs/dbraw/zinc/03/33/68/1208033368.db2.gz FACQBZKETHYUFI-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195690758 1208033372 /nfs/dbraw/zinc/03/33/72/1208033372.db2.gz FACQBZKETHYUFI-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419390 1208038086 /nfs/dbraw/zinc/03/80/86/1208038086.db2.gz ZIRJNVINSFAOMQ-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419390 1208038088 /nfs/dbraw/zinc/03/80/88/1208038088.db2.gz ZIRJNVINSFAOMQ-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419390 1208038091 /nfs/dbraw/zinc/03/80/91/1208038091.db2.gz ZIRJNVINSFAOMQ-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O)CC(C)(C)C ZINC001196222590 1208068192 /nfs/dbraw/zinc/06/81/92/1208068192.db2.gz UIHQRQIXMRSADP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O)CC(C)(C)C ZINC001196222590 1208068198 /nfs/dbraw/zinc/06/81/98/1208068198.db2.gz UIHQRQIXMRSADP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)CC(C)(C)C ZINC001196222590 1208068201 /nfs/dbraw/zinc/06/82/01/1208068201.db2.gz UIHQRQIXMRSADP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)CC(C)(C)C ZINC001196222590 1208068204 /nfs/dbraw/zinc/06/82/04/1208068204.db2.gz UIHQRQIXMRSADP-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CCCCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268336 1208069598 /nfs/dbraw/zinc/06/95/98/1208069598.db2.gz GJHCPJGOCFITAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCCCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268336 1208069602 /nfs/dbraw/zinc/06/96/02/1208069602.db2.gz GJHCPJGOCFITAP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001196920488 1208118215 /nfs/dbraw/zinc/11/82/15/1208118215.db2.gz ZQENLCKQVJLIEZ-BRWVUGGUSA-N 2 1 364.490 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001196920488 1208118218 /nfs/dbraw/zinc/11/82/18/1208118218.db2.gz ZQENLCKQVJLIEZ-BRWVUGGUSA-N 2 1 364.490 0.948 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001197319376 1208152740 /nfs/dbraw/zinc/15/27/40/1208152740.db2.gz BXVXBHRGUAZCGS-BRWVUGGUSA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197320095 1208153200 /nfs/dbraw/zinc/15/32/00/1208153200.db2.gz VNXQVYQOBLEVAJ-CGTJXYLNSA-N 2 1 369.506 0.075 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001197659374 1208182065 /nfs/dbraw/zinc/18/20/65/1208182065.db2.gz XRYZUYBUIJREDY-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001197659374 1208182069 /nfs/dbraw/zinc/18/20/69/1208182069.db2.gz XRYZUYBUIJREDY-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O ZINC001197659374 1208182074 /nfs/dbraw/zinc/18/20/74/1208182074.db2.gz XRYZUYBUIJREDY-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001197659374 1208182078 /nfs/dbraw/zinc/18/20/78/1208182078.db2.gz XRYZUYBUIJREDY-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1O ZINC001197826396 1208201913 /nfs/dbraw/zinc/20/19/13/1208201913.db2.gz VFTFLASSZZDYJX-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001197826233 1208201964 /nfs/dbraw/zinc/20/19/64/1208201964.db2.gz RQASUNODFBZQOF-RTBURBONSA-N 2 1 361.486 0.804 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661101 1208280302 /nfs/dbraw/zinc/28/03/02/1208280302.db2.gz AFVNMKKCXOPKKH-BHIYHBOVSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661101 1208280307 /nfs/dbraw/zinc/28/03/07/1208280307.db2.gz AFVNMKKCXOPKKH-BHIYHBOVSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661101 1208280311 /nfs/dbraw/zinc/28/03/11/1208280311.db2.gz AFVNMKKCXOPKKH-BHIYHBOVSA-N 2 1 361.486 0.959 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729371 1208283914 /nfs/dbraw/zinc/28/39/14/1208283914.db2.gz LZURZWVIIOYNBD-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729371 1208283916 /nfs/dbraw/zinc/28/39/16/1208283916.db2.gz LZURZWVIIOYNBD-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199096700 1208318047 /nfs/dbraw/zinc/31/80/47/1208318047.db2.gz RKJYSENOYPVZJE-KURKYZTESA-N 2 1 371.522 0.321 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199096700 1208318050 /nfs/dbraw/zinc/31/80/50/1208318050.db2.gz RKJYSENOYPVZJE-KURKYZTESA-N 2 1 371.522 0.321 20 0 FCADMP COc1cccc(OCCN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001199104800 1208318729 /nfs/dbraw/zinc/31/87/29/1208318729.db2.gz SXFJQJDBMQBAFX-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199104800 1208318730 /nfs/dbraw/zinc/31/87/30/1208318730.db2.gz SXFJQJDBMQBAFX-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199104800 1208318731 /nfs/dbraw/zinc/31/87/31/1208318731.db2.gz SXFJQJDBMQBAFX-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001199104800 1208318732 /nfs/dbraw/zinc/31/87/32/1208318732.db2.gz SXFJQJDBMQBAFX-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001691701369 1208418210 /nfs/dbraw/zinc/41/82/10/1208418210.db2.gz PKESHLBOQBPANW-KSZLIROESA-N 2 1 363.506 0.559 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201240244 1208449960 /nfs/dbraw/zinc/44/99/60/1208449960.db2.gz PXNFHUMWCQZURW-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201240244 1208449962 /nfs/dbraw/zinc/44/99/62/1208449962.db2.gz PXNFHUMWCQZURW-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)[C@@H](c2ccccc2)C1 ZINC001201454419 1208455542 /nfs/dbraw/zinc/45/55/42/1208455542.db2.gz NWLZGYYBMSHWPQ-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001110575619 1208482752 /nfs/dbraw/zinc/48/27/52/1208482752.db2.gz WCHNUARZYZHCAZ-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001110575619 1208482757 /nfs/dbraw/zinc/48/27/57/1208482757.db2.gz WCHNUARZYZHCAZ-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001110575619 1208482764 /nfs/dbraw/zinc/48/27/64/1208482764.db2.gz WCHNUARZYZHCAZ-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001110575619 1208482769 /nfs/dbraw/zinc/48/27/69/1208482769.db2.gz WCHNUARZYZHCAZ-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001110575619 1208482776 /nfs/dbraw/zinc/48/27/76/1208482776.db2.gz WCHNUARZYZHCAZ-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001488982387 1208599591 /nfs/dbraw/zinc/59/95/91/1208599591.db2.gz UBFDUALTSSMPQQ-HYVNUMGLSA-N 2 1 351.495 0.681 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220799212 1225080371 /nfs/dbraw/zinc/08/03/71/1225080371.db2.gz QZDMGOFMERERCW-SJORKVTESA-N 2 1 366.510 0.342 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220817629 1225087398 /nfs/dbraw/zinc/08/73/98/1225087398.db2.gz ZZGUDOXQFJONFL-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220817629 1225087404 /nfs/dbraw/zinc/08/74/04/1225087404.db2.gz ZZGUDOXQFJONFL-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220817629 1225087412 /nfs/dbraw/zinc/08/74/12/1225087412.db2.gz ZZGUDOXQFJONFL-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220817629 1225087419 /nfs/dbraw/zinc/08/74/19/1225087419.db2.gz ZZGUDOXQFJONFL-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1O ZINC001489399346 1208832071 /nfs/dbraw/zinc/83/20/71/1208832071.db2.gz OTMYKYRRLHIYNM-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1O ZINC001489399346 1208832073 /nfs/dbraw/zinc/83/20/73/1208832073.db2.gz OTMYKYRRLHIYNM-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220829211 1225093993 /nfs/dbraw/zinc/09/39/93/1225093993.db2.gz OALUPQYYMYNTGO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220829211 1225094002 /nfs/dbraw/zinc/09/40/02/1225094002.db2.gz OALUPQYYMYNTGO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220829211 1225094012 /nfs/dbraw/zinc/09/40/12/1225094012.db2.gz OALUPQYYMYNTGO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220829211 1225094016 /nfs/dbraw/zinc/09/40/16/1225094016.db2.gz OALUPQYYMYNTGO-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2CC)C[C@@H]1O ZINC001220830588 1225094209 /nfs/dbraw/zinc/09/42/09/1225094209.db2.gz CWFSSPGDDCABJU-BBWFWOEESA-N 2 1 368.522 0.281 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220831232 1225095487 /nfs/dbraw/zinc/09/54/87/1225095487.db2.gz UCISPDSJCOWJIM-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220831232 1225095496 /nfs/dbraw/zinc/09/54/96/1225095496.db2.gz UCISPDSJCOWJIM-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220831232 1225095504 /nfs/dbraw/zinc/09/55/04/1225095504.db2.gz UCISPDSJCOWJIM-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220831232 1225095508 /nfs/dbraw/zinc/09/55/08/1225095508.db2.gz UCISPDSJCOWJIM-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667945 1209591577 /nfs/dbraw/zinc/59/15/77/1209591577.db2.gz PYYCGKRLPRWMDL-NCOADZHNSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667945 1209591580 /nfs/dbraw/zinc/59/15/80/1209591580.db2.gz PYYCGKRLPRWMDL-NCOADZHNSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)C[C@H](NC(=O)CC[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854633215 1209636880 /nfs/dbraw/zinc/63/68/80/1209636880.db2.gz SMILZWCQFTWJTN-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@H](O)CC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000856073718 1209693858 /nfs/dbraw/zinc/69/38/58/1209693858.db2.gz VZVDUKKEJYZLQQ-FVQHAEBGSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H](O)CC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000856073718 1209693863 /nfs/dbraw/zinc/69/38/63/1209693863.db2.gz VZVDUKKEJYZLQQ-FVQHAEBGSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H](O)CC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000856073718 1209693868 /nfs/dbraw/zinc/69/38/68/1209693868.db2.gz VZVDUKKEJYZLQQ-FVQHAEBGSA-N 2 1 368.522 0.329 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110715433 1209732846 /nfs/dbraw/zinc/73/28/46/1209732846.db2.gz YUVJRDBVGQLYIV-FPCVCCKLSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110715433 1209732849 /nfs/dbraw/zinc/73/28/49/1209732849.db2.gz YUVJRDBVGQLYIV-FPCVCCKLSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000861745477 1209878904 /nfs/dbraw/zinc/87/89/04/1209878904.db2.gz MKDOGDDMYTXPSG-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821674 1209913732 /nfs/dbraw/zinc/91/37/32/1209913732.db2.gz FUIXZEADGHEGCA-KKBFJZEXSA-N 2 1 362.474 0.491 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110821674 1209913735 /nfs/dbraw/zinc/91/37/35/1209913735.db2.gz FUIXZEADGHEGCA-KKBFJZEXSA-N 2 1 362.474 0.491 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220985869 1225175095 /nfs/dbraw/zinc/17/50/95/1225175095.db2.gz IBIIHHCQQIPADP-NXHRZFHOSA-N 2 1 365.518 0.696 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000863752896 1209949886 /nfs/dbraw/zinc/94/98/86/1209949886.db2.gz IEPBTRFGSTXLTD-OAHLLOKOSA-N 2 1 362.474 0.535 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000863752896 1209949888 /nfs/dbraw/zinc/94/98/88/1209949888.db2.gz IEPBTRFGSTXLTD-OAHLLOKOSA-N 2 1 362.474 0.535 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000863760842 1209950882 /nfs/dbraw/zinc/95/08/82/1209950882.db2.gz PJPUOYLPPBNBDQ-MRXNPFEDSA-N 2 1 361.490 0.073 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1(C)C ZINC000875659467 1210386442 /nfs/dbraw/zinc/38/64/42/1210386442.db2.gz FTTXYCNJNJYGOH-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1(C)C ZINC000875659467 1210386447 /nfs/dbraw/zinc/38/64/47/1210386447.db2.gz FTTXYCNJNJYGOH-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001221081493 1225213778 /nfs/dbraw/zinc/21/37/78/1225213778.db2.gz ORPRKZINWXWCES-QRVBRYPASA-N 2 1 361.486 0.757 20 0 FCADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091171 1225218482 /nfs/dbraw/zinc/21/84/82/1225218482.db2.gz DSZHLTYQEVMMMJ-KURKYZTESA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091171 1225218483 /nfs/dbraw/zinc/21/84/83/1225218483.db2.gz DSZHLTYQEVMMMJ-KURKYZTESA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@H](O)C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091171 1225218484 /nfs/dbraw/zinc/21/84/84/1225218484.db2.gz DSZHLTYQEVMMMJ-KURKYZTESA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@H](O)C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091171 1225218485 /nfs/dbraw/zinc/21/84/85/1225218485.db2.gz DSZHLTYQEVMMMJ-KURKYZTESA-N 2 1 365.474 0.230 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089929 1225217517 /nfs/dbraw/zinc/21/75/17/1225217517.db2.gz UVEWXKHYXNLXRS-QYZOEREBSA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089929 1225217519 /nfs/dbraw/zinc/21/75/19/1225217519.db2.gz UVEWXKHYXNLXRS-QYZOEREBSA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089929 1225217521 /nfs/dbraw/zinc/21/75/21/1225217521.db2.gz UVEWXKHYXNLXRS-QYZOEREBSA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089929 1225217525 /nfs/dbraw/zinc/21/75/25/1225217525.db2.gz UVEWXKHYXNLXRS-QYZOEREBSA-N 2 1 363.502 0.784 20 0 FCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000883099195 1210652679 /nfs/dbraw/zinc/65/26/79/1210652679.db2.gz MCUZKXNLXLCNMW-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000883099195 1210652686 /nfs/dbraw/zinc/65/26/86/1210652686.db2.gz MCUZKXNLXLCNMW-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332198 1210662358 /nfs/dbraw/zinc/66/23/58/1210662358.db2.gz PPPXUNYPICOUKK-ROUUACIJSA-N 2 1 366.506 0.792 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332199 1210662776 /nfs/dbraw/zinc/66/27/76/1210662776.db2.gz PPPXUNYPICOUKK-ZWKOTPCHSA-N 2 1 366.506 0.792 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[NH2+]CCC13CCC3)c(=O)n2C ZINC000883458528 1210669445 /nfs/dbraw/zinc/66/94/45/1210669445.db2.gz NOZXNIKPJVFNON-UHFFFAOYSA-N 2 1 360.462 0.042 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[NH2+]CCC13CCC3)c(=O)n2C ZINC000883458528 1210669448 /nfs/dbraw/zinc/66/94/48/1210669448.db2.gz NOZXNIKPJVFNON-UHFFFAOYSA-N 2 1 360.462 0.042 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883587018 1210672371 /nfs/dbraw/zinc/67/23/71/1210672371.db2.gz XVKUDDDKOGRHMO-LJQANCHMSA-N 2 1 372.517 0.998 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000883604644 1210673428 /nfs/dbraw/zinc/67/34/28/1210673428.db2.gz BMMCECOVLFJLJI-RDJZCZTQSA-N 2 1 357.458 0.388 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883604931 1210673498 /nfs/dbraw/zinc/67/34/98/1210673498.db2.gz HPQBAYKKIMENTC-GOSISDBHSA-N 2 1 371.485 0.778 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604242 1210673709 /nfs/dbraw/zinc/67/37/09/1210673709.db2.gz QWKLBDYPFSEUEU-QAPCUYQASA-N 2 1 371.485 0.859 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883608984 1210674110 /nfs/dbraw/zinc/67/41/10/1210674110.db2.gz LSFTYZRWDHGTJZ-RHSMWYFYSA-N 2 1 359.474 0.763 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000883607564 1210674402 /nfs/dbraw/zinc/67/44/02/1210674402.db2.gz ZAEFONWNOPPSHM-KRWDZBQOSA-N 2 1 371.485 0.907 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883607481 1210674559 /nfs/dbraw/zinc/67/45/59/1210674559.db2.gz WOQGXRVXGGUIHJ-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1(C[NH3+])CCCCC1 ZINC000883653969 1210680539 /nfs/dbraw/zinc/68/05/39/1210680539.db2.gz OZVRZKJPJHYZFK-UHFFFAOYSA-N 2 1 366.506 0.430 20 0 FCADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884281104 1210728293 /nfs/dbraw/zinc/72/82/93/1210728293.db2.gz BIDUSUIEOIANQJ-HNNXBMFYSA-N 2 1 355.446 0.011 20 0 FCADMP [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000884307881 1210729231 /nfs/dbraw/zinc/72/92/31/1210729231.db2.gz XRWDCWSXBAYTTF-KRWDZBQOSA-N 2 1 366.506 0.191 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884522694 1210744372 /nfs/dbraw/zinc/74/43/72/1210744372.db2.gz FRGKNVCBMBOLRP-OLMNPRSZSA-N 2 1 356.470 0.512 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884522694 1210744379 /nfs/dbraw/zinc/74/43/79/1210744379.db2.gz FRGKNVCBMBOLRP-OLMNPRSZSA-N 2 1 356.470 0.512 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884522835 1210744859 /nfs/dbraw/zinc/74/48/59/1210744859.db2.gz JDENHKUWPPEZSF-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884522835 1210744867 /nfs/dbraw/zinc/74/48/67/1210744867.db2.gz JDENHKUWPPEZSF-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC000884544387 1210747529 /nfs/dbraw/zinc/74/75/29/1210747529.db2.gz FNEZVXPFGQAKNW-VQIMIIECSA-N 2 1 366.506 0.063 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000884553610 1210749227 /nfs/dbraw/zinc/74/92/27/1210749227.db2.gz CQIBPKSHKGAIFW-HYVNUMGLSA-N 2 1 358.486 0.804 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572913 1210754384 /nfs/dbraw/zinc/75/43/84/1210754384.db2.gz YUUGYHZXZCLJQE-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572257 1210754843 /nfs/dbraw/zinc/75/48/43/1210754843.db2.gz JOOJOUISWVLCSW-DKIMLUQUSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000884599724 1210759280 /nfs/dbraw/zinc/75/92/80/1210759280.db2.gz JLNBGIFNJRKEMX-BBWFWOEESA-N 2 1 373.501 0.261 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[NH+]2CCCC2)o1 ZINC000884601736 1210759553 /nfs/dbraw/zinc/75/95/53/1210759553.db2.gz UKBHBJXJJWKJMR-TWOQFEAHSA-N 2 1 374.485 0.909 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884603352 1210760983 /nfs/dbraw/zinc/76/09/83/1210760983.db2.gz HWQNGNPKKXNMLD-QFBILLFUSA-N 2 1 366.506 0.206 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884637517 1210769653 /nfs/dbraw/zinc/76/96/53/1210769653.db2.gz RAFFKNPJOFELLE-UHFFFAOYSA-N 2 1 362.474 0.033 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000884649450 1210772334 /nfs/dbraw/zinc/77/23/34/1210772334.db2.gz DBHWCFAHZYHQIN-MJGOQNOKSA-N 2 1 370.497 0.950 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670430 1210775453 /nfs/dbraw/zinc/77/54/53/1210775453.db2.gz ZPIOWPOJADEKDH-OKZBNKHCSA-N 2 1 356.470 0.560 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669650 1210776087 /nfs/dbraw/zinc/77/60/87/1210776087.db2.gz CDWVOKUCFJDFAN-QZTJIDSGSA-N 2 1 356.470 0.692 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884675476 1210777636 /nfs/dbraw/zinc/77/76/36/1210777636.db2.gz FFKLVBVIWLWNIP-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884675476 1210777641 /nfs/dbraw/zinc/77/76/41/1210777641.db2.gz FFKLVBVIWLWNIP-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000884679218 1210779674 /nfs/dbraw/zinc/77/96/74/1210779674.db2.gz ZPKJKJAADJLPAQ-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000884679218 1210779678 /nfs/dbraw/zinc/77/96/78/1210779678.db2.gz ZPKJKJAADJLPAQ-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884701875 1210783015 /nfs/dbraw/zinc/78/30/15/1210783015.db2.gz QQVINMKQJVEBAI-KBAYOESNSA-N 2 1 360.502 0.970 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000884697898 1210783442 /nfs/dbraw/zinc/78/34/42/1210783442.db2.gz GNHZWWXZPSYYAN-NVXWUHKLSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000884697898 1210783444 /nfs/dbraw/zinc/78/34/44/1210783444.db2.gz GNHZWWXZPSYYAN-NVXWUHKLSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)c1 ZINC000884706588 1210785337 /nfs/dbraw/zinc/78/53/37/1210785337.db2.gz IAURMESMZYZAAR-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)c1 ZINC000884706588 1210785342 /nfs/dbraw/zinc/78/53/42/1210785342.db2.gz IAURMESMZYZAAR-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884719307 1210787494 /nfs/dbraw/zinc/78/74/94/1210787494.db2.gz HTVXZWJEOXCLET-OGWHTMIXSA-N 2 1 372.513 0.985 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000884718192 1210787933 /nfs/dbraw/zinc/78/79/33/1210787933.db2.gz WVSRWQBOWMWAPY-SZMVWBNQSA-N 2 1 358.486 0.942 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884797182 1210796713 /nfs/dbraw/zinc/79/67/13/1210796713.db2.gz QIPZQCYTPQKRMO-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833034 1210799644 /nfs/dbraw/zinc/79/96/44/1210799644.db2.gz FIKFFAQDCCXLMM-BQSYYEAHSA-N 2 1 370.497 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833002 1210799786 /nfs/dbraw/zinc/79/97/86/1210799786.db2.gz DVGQQFNNXRDSRA-AITUJVMLSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824556 1210799939 /nfs/dbraw/zinc/79/99/39/1210799939.db2.gz ACEJUJOMNDMRCN-CYGHRXIMSA-N 2 1 358.486 0.737 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000884881902 1210802403 /nfs/dbraw/zinc/80/24/03/1210802403.db2.gz MAENFBUOIGESBW-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000884881902 1210802405 /nfs/dbraw/zinc/80/24/05/1210802405.db2.gz MAENFBUOIGESBW-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878573 1210802629 /nfs/dbraw/zinc/80/26/29/1210802629.db2.gz ALSQXMXGIVZIBT-XHSDSOJGSA-N 2 1 368.522 0.496 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884886697 1210802781 /nfs/dbraw/zinc/80/27/81/1210802781.db2.gz ONQRCIVICDIWCO-QZTJIDSGSA-N 2 1 360.502 0.863 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884886699 1210802907 /nfs/dbraw/zinc/80/29/07/1210802907.db2.gz ONQRCIVICDIWCO-ZWKOTPCHSA-N 2 1 360.502 0.863 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000884895788 1210803145 /nfs/dbraw/zinc/80/31/45/1210803145.db2.gz NJLXRUNAJTYVIJ-SQNIBIBYSA-N 2 1 358.486 0.615 20 0 FCADMP [NH3+][C@@H](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000884890353 1210803321 /nfs/dbraw/zinc/80/33/21/1210803321.db2.gz SJBPMIPXKHAKTF-SFHVURJKSA-N 2 1 358.486 0.617 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000884983171 1210807027 /nfs/dbraw/zinc/80/70/27/1210807027.db2.gz ODTCHCOSOMSRGD-FGTMMUONSA-N 2 1 356.470 0.363 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884983484 1210807111 /nfs/dbraw/zinc/80/71/11/1210807111.db2.gz KACFSYFEUDEQEF-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884983484 1210807112 /nfs/dbraw/zinc/80/71/12/1210807112.db2.gz KACFSYFEUDEQEF-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983407 1210807201 /nfs/dbraw/zinc/80/72/01/1210807201.db2.gz QWIDVRPBSZTWOL-ZWKOTPCHSA-N 2 1 358.486 0.753 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141609 1210812066 /nfs/dbraw/zinc/81/20/66/1210812066.db2.gz OQMNCRBLUXVAPX-INIZCTEOSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000885140940 1210812166 /nfs/dbraw/zinc/81/21/66/1210812166.db2.gz CSVXILUSHAJHMW-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141328 1210812288 /nfs/dbraw/zinc/81/22/88/1210812288.db2.gz LWYXMRHCZNGGRN-JKSUJKDBSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000885155974 1210813471 /nfs/dbraw/zinc/81/34/71/1210813471.db2.gz HMCUIUHTYXPSSK-SFHVURJKSA-N 2 1 356.470 0.371 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872082 1210838313 /nfs/dbraw/zinc/83/83/13/1210838313.db2.gz IVDOXVGKMHISLL-FXAWDEMLSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872082 1210838314 /nfs/dbraw/zinc/83/83/14/1210838314.db2.gz IVDOXVGKMHISLL-FXAWDEMLSA-N 2 1 372.517 0.979 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887062953 1210844568 /nfs/dbraw/zinc/84/45/68/1210844568.db2.gz KUUDUMIVVHFIRE-IPMKNSEASA-N 2 1 370.497 0.917 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887068523 1210845619 /nfs/dbraw/zinc/84/56/19/1210845619.db2.gz NNNLEGLYCRRJDM-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887068523 1210845620 /nfs/dbraw/zinc/84/56/20/1210845620.db2.gz NNNLEGLYCRRJDM-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887068524 1210845624 /nfs/dbraw/zinc/84/56/24/1210845624.db2.gz NNNLEGLYCRRJDM-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887068524 1210845626 /nfs/dbraw/zinc/84/56/26/1210845626.db2.gz NNNLEGLYCRRJDM-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887070911 1210845980 /nfs/dbraw/zinc/84/59/80/1210845980.db2.gz VYZDENCUPCMHKI-RBUKOAKNSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+]1CCC(N2CCC(N3C(=O)[C@@H]4[C@H](O)CCCN4C3=O)CC2)CC1 ZINC000349350738 1210866308 /nfs/dbraw/zinc/86/63/08/1210866308.db2.gz VZEUHXWHQKBBFG-CVEARBPZSA-N 2 1 350.463 0.333 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163126 1225247205 /nfs/dbraw/zinc/24/72/05/1225247205.db2.gz SZZABOVUTLTCRB-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163126 1225247214 /nfs/dbraw/zinc/24/72/14/1225247214.db2.gz SZZABOVUTLTCRB-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163126 1225247220 /nfs/dbraw/zinc/24/72/20/1225247220.db2.gz SZZABOVUTLTCRB-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163126 1225247227 /nfs/dbraw/zinc/24/72/27/1225247227.db2.gz SZZABOVUTLTCRB-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001274195848 1210909254 /nfs/dbraw/zinc/90/92/54/1210909254.db2.gz VZFNKUOCOJWLDJ-RDJZCZTQSA-N 2 1 362.518 0.777 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889745652 1210946526 /nfs/dbraw/zinc/94/65/26/1210946526.db2.gz XOQDHAVNXIADSD-IKGGRYGDSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889745652 1210946529 /nfs/dbraw/zinc/94/65/29/1210946529.db2.gz XOQDHAVNXIADSD-IKGGRYGDSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000889745652 1210946530 /nfs/dbraw/zinc/94/65/30/1210946530.db2.gz XOQDHAVNXIADSD-IKGGRYGDSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000889745652 1210946531 /nfs/dbraw/zinc/94/65/31/1210946531.db2.gz XOQDHAVNXIADSD-IKGGRYGDSA-N 2 1 367.490 0.319 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889750724 1210946949 /nfs/dbraw/zinc/94/69/49/1210946949.db2.gz OBJDMPNSFAAIRF-RTBURBONSA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750724 1210946951 /nfs/dbraw/zinc/94/69/51/1210946951.db2.gz OBJDMPNSFAAIRF-RTBURBONSA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889750724 1210946953 /nfs/dbraw/zinc/94/69/53/1210946953.db2.gz OBJDMPNSFAAIRF-RTBURBONSA-N 2 1 366.550 0.850 20 0 FCADMP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000889754359 1210947374 /nfs/dbraw/zinc/94/73/74/1210947374.db2.gz OWWSIOOXYBQQDK-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000889805653 1210954715 /nfs/dbraw/zinc/95/47/15/1210954715.db2.gz QVYVZHLHXOMPLF-CRAIPNDOSA-N 2 1 373.501 0.976 20 0 FCADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890137333 1210968422 /nfs/dbraw/zinc/96/84/22/1210968422.db2.gz CMCLZKSIOHJUIW-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890137333 1210968426 /nfs/dbraw/zinc/96/84/26/1210968426.db2.gz CMCLZKSIOHJUIW-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890137333 1210968429 /nfs/dbraw/zinc/96/84/29/1210968429.db2.gz CMCLZKSIOHJUIW-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001274396168 1211044937 /nfs/dbraw/zinc/04/49/37/1211044937.db2.gz AEVDPSSMJGTVAF-OKZBNKHCSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001274396166 1211045010 /nfs/dbraw/zinc/04/50/10/1211045010.db2.gz AEVDPSSMJGTVAF-KURKYZTESA-N 2 1 361.490 0.525 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001274720295 1211108464 /nfs/dbraw/zinc/10/84/64/1211108464.db2.gz SWBHZZOMMHAQLO-SOUVJXGZSA-N 2 1 364.494 0.523 20 0 FCADMP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184065 1225258466 /nfs/dbraw/zinc/25/84/66/1225258466.db2.gz QSCSWTXWCYCVHL-TVFCKZIOSA-N 2 1 374.485 0.761 20 0 FCADMP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001275154888 1211183219 /nfs/dbraw/zinc/18/32/19/1211183219.db2.gz MEPFXDGSDVZMFZ-AZUAARDMSA-N 2 1 361.486 0.803 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275171647 1211187969 /nfs/dbraw/zinc/18/79/69/1211187969.db2.gz LHIHKQMYAFLTCR-UHOSZYNNSA-N 2 1 360.506 0.707 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337608 1211218046 /nfs/dbraw/zinc/21/80/46/1211218046.db2.gz SVFOPFBXPHYBBU-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337608 1211218050 /nfs/dbraw/zinc/21/80/50/1211218050.db2.gz SVFOPFBXPHYBBU-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337608 1211218051 /nfs/dbraw/zinc/21/80/51/1211218051.db2.gz SVFOPFBXPHYBBU-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343757 1211219663 /nfs/dbraw/zinc/21/96/63/1211219663.db2.gz SEDUHXVMCCQWOR-QFBILLFUSA-N 2 1 366.506 0.430 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343757 1211219665 /nfs/dbraw/zinc/21/96/65/1211219665.db2.gz SEDUHXVMCCQWOR-QFBILLFUSA-N 2 1 366.506 0.430 20 0 FCADMP COc1cncc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001275424407 1211234722 /nfs/dbraw/zinc/23/47/22/1211234722.db2.gz ZDUCIPHUHMJFSG-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1cncc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001275424407 1211234724 /nfs/dbraw/zinc/23/47/24/1211234724.db2.gz ZDUCIPHUHMJFSG-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP CCc1nccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275454432 1211241142 /nfs/dbraw/zinc/24/11/42/1211241142.db2.gz WXHROTPQIMTMGY-IBGZPJMESA-N 2 1 361.490 0.652 20 0 FCADMP CCc1nccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275454432 1211241147 /nfs/dbraw/zinc/24/11/47/1211241147.db2.gz WXHROTPQIMTMGY-IBGZPJMESA-N 2 1 361.490 0.652 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CCCC[C@@]12CC(=O)N(C[C@@H]1CCC(=O)N1)C2 ZINC001275456238 1211242440 /nfs/dbraw/zinc/24/24/40/1211242440.db2.gz XGVIMTXXFJZOOW-KXBFYZLASA-N 2 1 357.458 0.730 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@@]12CC(=O)N(C[C@@H]1CCC(=O)N1)C2 ZINC001275456238 1211242443 /nfs/dbraw/zinc/24/24/43/1211242443.db2.gz XGVIMTXXFJZOOW-KXBFYZLASA-N 2 1 357.458 0.730 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccn4ccnc4c3)C2)OCC1=O ZINC001275456800 1211243157 /nfs/dbraw/zinc/24/31/57/1211243157.db2.gz KXEZVJODJQVAGE-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP Cc1ncoc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275467372 1211245227 /nfs/dbraw/zinc/24/52/27/1211245227.db2.gz FJZXKIDQVSHMJO-GOSISDBHSA-N 2 1 359.430 0.931 20 0 FCADMP Cc1ncoc1C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275467372 1211245229 /nfs/dbraw/zinc/24/52/29/1211245229.db2.gz FJZXKIDQVSHMJO-GOSISDBHSA-N 2 1 359.430 0.931 20 0 FCADMP Cc1nccc(C[N@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)n1 ZINC001275481060 1211248840 /nfs/dbraw/zinc/24/88/40/1211248840.db2.gz VWVXSZFPXVZFAX-SFHVURJKSA-N 2 1 356.430 0.485 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507857 1211252292 /nfs/dbraw/zinc/25/22/92/1211252292.db2.gz KXAAVQUDZDTVOC-LIRRHRJNSA-N 2 1 366.506 0.679 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]12CCN(CCN1CCOCC1)C2=O ZINC001275513218 1211252788 /nfs/dbraw/zinc/25/27/88/1211252788.db2.gz ZVBISDUXBAZIMO-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]12CCN(CCN1CCOCC1)C2=O ZINC001275513218 1211252790 /nfs/dbraw/zinc/25/27/90/1211252790.db2.gz ZVBISDUXBAZIMO-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555924 1211255887 /nfs/dbraw/zinc/25/58/87/1211255887.db2.gz DTFRYERJBIQJDQ-LJQANCHMSA-N 2 1 364.490 0.305 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556006 1211255958 /nfs/dbraw/zinc/25/59/58/1211255958.db2.gz GLMSRAUYAITNSY-HNAYVOBHSA-N 2 1 364.490 0.433 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1O ZINC001275576926 1211259147 /nfs/dbraw/zinc/25/91/47/1211259147.db2.gz OTOHNJABXOGMMG-IBGZPJMESA-N 2 1 363.458 0.766 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1O ZINC001275576926 1211259148 /nfs/dbraw/zinc/25/91/48/1211259148.db2.gz OTOHNJABXOGMMG-IBGZPJMESA-N 2 1 363.458 0.766 20 0 FCADMP O=C1CC[C@@H](CN2CC[C@@]3(CCC[N@@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737637 1211278718 /nfs/dbraw/zinc/27/87/18/1211278718.db2.gz MTTHSEMHRJDNGB-PXNSSMCTSA-N 2 1 362.518 0.969 20 0 FCADMP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737573 1211278908 /nfs/dbraw/zinc/27/89/08/1211278908.db2.gz LNRDOTCZKBRFMV-LIRRHRJNSA-N 2 1 365.474 0.779 20 0 FCADMP O=C1C[C@]2(CN1CCn1ccnc1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738409 1211279279 /nfs/dbraw/zinc/27/92/79/1211279279.db2.gz YHSUVDACGMTIRB-IBGZPJMESA-N 3 1 361.490 0.434 20 0 FCADMP O=C1C[C@@]2(CN1CCN1CCOCC1)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275738092 1211279295 /nfs/dbraw/zinc/27/92/95/1211279295.db2.gz UOLRNLIZVOVQPQ-HXUWFJFHSA-N 2 1 364.534 0.775 20 0 FCADMP O=C1CC[C@H](CN2CC[C@]3(CCC[N@@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737640 1211279363 /nfs/dbraw/zinc/27/93/63/1211279363.db2.gz MTTHSEMHRJDNGB-YLJYHZDGSA-N 2 1 362.518 0.969 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743400 1211280268 /nfs/dbraw/zinc/28/02/68/1211280268.db2.gz QMJJIRAJRULDDD-IBGZPJMESA-N 2 1 366.506 0.158 20 0 FCADMP CCOC(=O)[C@@H](C)N1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833382 1211293680 /nfs/dbraw/zinc/29/36/80/1211293680.db2.gz CYDHQDMJSNMFRZ-OAHLLOKOSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833380 1211293687 /nfs/dbraw/zinc/29/36/87/1211293687.db2.gz CYDHQDMJSNMFRZ-HNNXBMFYSA-N 2 1 367.490 0.583 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN(CC(OC)OC)C(=O)CO3)CC1 ZINC001275877588 1211303675 /nfs/dbraw/zinc/30/36/75/1211303675.db2.gz DDPDRJSWPZPISM-IBGZPJMESA-N 2 1 369.506 0.641 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001275877954 1211304056 /nfs/dbraw/zinc/30/40/56/1211304056.db2.gz IKCHZMOVZPIKTH-VQHPVUNQSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275877954 1211304059 /nfs/dbraw/zinc/30/40/59/1211304059.db2.gz IKCHZMOVZPIKTH-VQHPVUNQSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275877954 1211304064 /nfs/dbraw/zinc/30/40/64/1211304064.db2.gz IKCHZMOVZPIKTH-VQHPVUNQSA-N 2 1 367.490 0.582 20 0 FCADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275880549 1211304680 /nfs/dbraw/zinc/30/46/80/1211304680.db2.gz OYQUGGJQLWEGRC-WKILWMFISA-N 2 1 367.490 0.441 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CCN(Cc4nncn4C)C3=O)C2)CC1 ZINC001275880608 1211304797 /nfs/dbraw/zinc/30/47/97/1211304797.db2.gz VAALXITWAAOPMU-IBGZPJMESA-N 2 1 360.506 0.971 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)C1 ZINC001275879117 1211305889 /nfs/dbraw/zinc/30/58/89/1211305889.db2.gz NSOCOULTTUOJQI-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)C1 ZINC001275879117 1211305892 /nfs/dbraw/zinc/30/58/92/1211305892.db2.gz NSOCOULTTUOJQI-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)C1 ZINC001275879117 1211305897 /nfs/dbraw/zinc/30/58/97/1211305897.db2.gz NSOCOULTTUOJQI-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)C1 ZINC001275879117 1211305900 /nfs/dbraw/zinc/30/59/00/1211305900.db2.gz NSOCOULTTUOJQI-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879154 1211306320 /nfs/dbraw/zinc/30/63/20/1211306320.db2.gz OCUGDEYPSGBFBI-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879154 1211306322 /nfs/dbraw/zinc/30/63/22/1211306322.db2.gz OCUGDEYPSGBFBI-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879154 1211306324 /nfs/dbraw/zinc/30/63/24/1211306324.db2.gz OCUGDEYPSGBFBI-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879154 1211306327 /nfs/dbraw/zinc/30/63/27/1211306327.db2.gz OCUGDEYPSGBFBI-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP CCOc1ccncc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275941232 1211314561 /nfs/dbraw/zinc/31/45/61/1211314561.db2.gz NQDZFWIFSINSPZ-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1ccncc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275941232 1211314565 /nfs/dbraw/zinc/31/45/65/1211314565.db2.gz NQDZFWIFSINSPZ-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371304406 1211335336 /nfs/dbraw/zinc/33/53/36/1211335336.db2.gz SZDGAGWQIYGIIH-SQNIBIBYSA-N 2 1 367.538 0.375 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001276112325 1211358259 /nfs/dbraw/zinc/35/82/59/1211358259.db2.gz SRMYSZGPHMHCMW-SFHVURJKSA-N 2 1 361.446 0.249 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3cc4c(cn3)OCCO4)C2)C1=O ZINC001276233237 1211385802 /nfs/dbraw/zinc/38/58/02/1211385802.db2.gz INFAWOYAMICYRB-LJQANCHMSA-N 2 1 360.458 0.839 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001095525490 1211395166 /nfs/dbraw/zinc/39/51/66/1211395166.db2.gz SVBHCLULYVLYMA-BDXSIMOUSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)C1 ZINC001095525490 1211395167 /nfs/dbraw/zinc/39/51/67/1211395167.db2.gz SVBHCLULYVLYMA-BDXSIMOUSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)C1 ZINC001095525490 1211395169 /nfs/dbraw/zinc/39/51/69/1211395169.db2.gz SVBHCLULYVLYMA-BDXSIMOUSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001095525491 1211395433 /nfs/dbraw/zinc/39/54/33/1211395433.db2.gz SVBHCLULYVLYMA-MHORFTMASA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)C1 ZINC001095525491 1211395436 /nfs/dbraw/zinc/39/54/36/1211395436.db2.gz SVBHCLULYVLYMA-MHORFTMASA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)C1 ZINC001095525491 1211395439 /nfs/dbraw/zinc/39/54/39/1211395439.db2.gz SVBHCLULYVLYMA-MHORFTMASA-N 2 1 360.506 0.978 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)N1CCC1 ZINC001095606170 1211423918 /nfs/dbraw/zinc/42/39/18/1211423918.db2.gz VPZBOKMQDDWETL-IKGGRYGDSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)N1CCC1 ZINC001095606170 1211423920 /nfs/dbraw/zinc/42/39/20/1211423920.db2.gz VPZBOKMQDDWETL-IKGGRYGDSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001095685527 1211447270 /nfs/dbraw/zinc/44/72/70/1211447270.db2.gz KTABDWUEEXUSMD-OWSLCNJRSA-N 2 1 373.501 0.594 20 0 FCADMP CC(C)[C@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)N1CC[NH+](C)CC1 ZINC000924457088 1211470252 /nfs/dbraw/zinc/47/02/52/1211470252.db2.gz PIBISLPDWDWJGH-SJORKVTESA-N 2 1 365.522 0.665 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634470 1211475718 /nfs/dbraw/zinc/47/57/18/1211475718.db2.gz NZLWSBPEHCJKBL-SJORKVTESA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634470 1211475719 /nfs/dbraw/zinc/47/57/19/1211475719.db2.gz NZLWSBPEHCJKBL-SJORKVTESA-N 2 1 363.506 0.561 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924643204 1211476281 /nfs/dbraw/zinc/47/62/81/1211476281.db2.gz LXCJZZATVADRKJ-HUUCEWRRSA-N 2 1 360.462 0.074 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777559 1211480713 /nfs/dbraw/zinc/48/07/13/1211480713.db2.gz QLUCUVCFYZMIBK-IRXDYDNUSA-N 2 1 360.458 0.760 20 0 FCADMP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)ccc2N1 ZINC000925565510 1211502253 /nfs/dbraw/zinc/50/22/53/1211502253.db2.gz SWKVVIHNNCIGRS-QJMYLJAHSA-N 2 1 357.454 0.897 20 0 FCADMP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)ccc2N1 ZINC000925565511 1211502454 /nfs/dbraw/zinc/50/24/54/1211502454.db2.gz SWKVVIHNNCIGRS-SJRHDAQGSA-N 2 1 357.454 0.897 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926368895 1211540410 /nfs/dbraw/zinc/54/04/10/1211540410.db2.gz YCMYERRFLSYHBD-CUSZFKRNSA-N 2 1 360.502 0.530 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927637980 1211577682 /nfs/dbraw/zinc/57/76/82/1211577682.db2.gz KGJOUUSWWHQMBJ-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927637980 1211577685 /nfs/dbraw/zinc/57/76/85/1211577685.db2.gz KGJOUUSWWHQMBJ-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637980 1211577689 /nfs/dbraw/zinc/57/76/89/1211577689.db2.gz KGJOUUSWWHQMBJ-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927637980 1211577696 /nfs/dbraw/zinc/57/76/96/1211577696.db2.gz KGJOUUSWWHQMBJ-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)CN(CC(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928556292 1211604369 /nfs/dbraw/zinc/60/43/69/1211604369.db2.gz PCDWBFUXQBTQNB-HDICACEKSA-N 2 1 373.501 0.134 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CN(CC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928556292 1211604370 /nfs/dbraw/zinc/60/43/70/1211604370.db2.gz PCDWBFUXQBTQNB-HDICACEKSA-N 2 1 373.501 0.134 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CN(CC(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1 ZINC000928556292 1211604371 /nfs/dbraw/zinc/60/43/71/1211604371.db2.gz PCDWBFUXQBTQNB-HDICACEKSA-N 2 1 373.501 0.134 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001110956371 1211614827 /nfs/dbraw/zinc/61/48/27/1211614827.db2.gz FXVAPLWYBLQJCP-TWMKSMIVSA-N 2 1 361.490 0.307 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976430 1211653715 /nfs/dbraw/zinc/65/37/15/1211653715.db2.gz LSLIXQWUQUAGEA-KURKYZTESA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585965 1211715137 /nfs/dbraw/zinc/71/51/37/1211715137.db2.gz VSCJSESNTNAJTF-YLJYHZDGSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585965 1211715138 /nfs/dbraw/zinc/71/51/38/1211715138.db2.gz VSCJSESNTNAJTF-YLJYHZDGSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000930585965 1211715139 /nfs/dbraw/zinc/71/51/39/1211715139.db2.gz VSCJSESNTNAJTF-YLJYHZDGSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000930585965 1211715140 /nfs/dbraw/zinc/71/51/40/1211715140.db2.gz VSCJSESNTNAJTF-YLJYHZDGSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931103109 1211740121 /nfs/dbraw/zinc/74/01/21/1211740121.db2.gz BJUKQTHRDZOELN-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931103109 1211740126 /nfs/dbraw/zinc/74/01/26/1211740126.db2.gz BJUKQTHRDZOELN-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931103109 1211740130 /nfs/dbraw/zinc/74/01/30/1211740130.db2.gz BJUKQTHRDZOELN-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931103109 1211740132 /nfs/dbraw/zinc/74/01/32/1211740132.db2.gz BJUKQTHRDZOELN-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000931674145 1211770464 /nfs/dbraw/zinc/77/04/64/1211770464.db2.gz ZFIFTLNAADBBAZ-IRXDYDNUSA-N 2 1 365.474 0.773 20 0 FCADMP C[C@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031332 1211809331 /nfs/dbraw/zinc/80/93/31/1211809331.db2.gz SPDLMJRPSLQUTH-SYQHCUMBSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031332 1211809334 /nfs/dbraw/zinc/80/93/34/1211809334.db2.gz SPDLMJRPSLQUTH-SYQHCUMBSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031332 1211809336 /nfs/dbraw/zinc/80/93/36/1211809336.db2.gz SPDLMJRPSLQUTH-SYQHCUMBSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031332 1211809338 /nfs/dbraw/zinc/80/93/38/1211809338.db2.gz SPDLMJRPSLQUTH-SYQHCUMBSA-N 2 1 367.494 0.269 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935365660 1211876741 /nfs/dbraw/zinc/87/67/41/1211876741.db2.gz KBTIIRJHLLPJGO-ULQDDVLXSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935365660 1211876743 /nfs/dbraw/zinc/87/67/43/1211876743.db2.gz KBTIIRJHLLPJGO-ULQDDVLXSA-N 2 1 368.522 0.325 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767388 1211979996 /nfs/dbraw/zinc/97/99/96/1211979996.db2.gz BEUQNGWMBGKQKW-IWCQGFGOSA-N 2 1 353.426 0.948 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767388 1211980000 /nfs/dbraw/zinc/98/00/00/1211980000.db2.gz BEUQNGWMBGKQKW-IWCQGFGOSA-N 2 1 353.426 0.948 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784343 1212000448 /nfs/dbraw/zinc/00/04/48/1212000448.db2.gz NODMQGQRUTYXDP-SPEYCTSASA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784343 1212000455 /nfs/dbraw/zinc/00/04/55/1212000455.db2.gz NODMQGQRUTYXDP-SPEYCTSASA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784343 1212000457 /nfs/dbraw/zinc/00/04/57/1212000457.db2.gz NODMQGQRUTYXDP-SPEYCTSASA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784343 1212000463 /nfs/dbraw/zinc/00/04/63/1212000463.db2.gz NODMQGQRUTYXDP-SPEYCTSASA-N 2 1 371.485 0.505 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC000968604064 1212042674 /nfs/dbraw/zinc/04/26/74/1212042674.db2.gz AIJOSSFQEVDFSY-IKGGRYGDSA-N 2 1 371.441 0.349 20 0 FCADMP CN1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC000968604064 1212042678 /nfs/dbraw/zinc/04/26/78/1212042678.db2.gz AIJOSSFQEVDFSY-IKGGRYGDSA-N 2 1 371.441 0.349 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000968629209 1212052916 /nfs/dbraw/zinc/05/29/16/1212052916.db2.gz BWURIXKLQSRHPG-ZACQAIPSSA-N 2 1 371.441 0.120 20 0 FCADMP COC[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123450 1212300130 /nfs/dbraw/zinc/30/01/30/1212300130.db2.gz CQUYMGWBOMOOKJ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123450 1212300136 /nfs/dbraw/zinc/30/01/36/1212300136.db2.gz CQUYMGWBOMOOKJ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000949183423 1212315541 /nfs/dbraw/zinc/31/55/41/1212315541.db2.gz ASDJRYIAYXMYJQ-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000949183423 1212315545 /nfs/dbraw/zinc/31/55/45/1212315545.db2.gz ASDJRYIAYXMYJQ-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1 ZINC000949947935 1212491102 /nfs/dbraw/zinc/49/11/02/1212491102.db2.gz UJGDGUNYKYJYFA-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1 ZINC000949947935 1212491104 /nfs/dbraw/zinc/49/11/04/1212491104.db2.gz UJGDGUNYKYJYFA-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC000950247855 1212541996 /nfs/dbraw/zinc/54/19/96/1212541996.db2.gz HKAOLNITCCHJGD-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC000950247855 1212542001 /nfs/dbraw/zinc/54/20/01/1212542001.db2.gz HKAOLNITCCHJGD-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390084 1212566431 /nfs/dbraw/zinc/56/64/31/1212566431.db2.gz JJTKRQJQFPLBPT-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390084 1212566435 /nfs/dbraw/zinc/56/64/35/1212566435.db2.gz JJTKRQJQFPLBPT-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390084 1212566439 /nfs/dbraw/zinc/56/64/39/1212566439.db2.gz JJTKRQJQFPLBPT-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390084 1212566443 /nfs/dbraw/zinc/56/64/43/1212566443.db2.gz JJTKRQJQFPLBPT-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001007827854 1212586265 /nfs/dbraw/zinc/58/62/65/1212586265.db2.gz QMJVUMAFRHBEGZ-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001007827854 1212586271 /nfs/dbraw/zinc/58/62/71/1212586271.db2.gz QMJVUMAFRHBEGZ-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000950704410 1212633838 /nfs/dbraw/zinc/63/38/38/1212633838.db2.gz DTBOUMMZILQRGW-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008206387 1212659828 /nfs/dbraw/zinc/65/98/28/1212659828.db2.gz BKTOHBHYOMFEOO-BZUAXINKSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008206387 1212659832 /nfs/dbraw/zinc/65/98/32/1212659832.db2.gz BKTOHBHYOMFEOO-BZUAXINKSA-N 2 1 361.490 0.885 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615444 1225398181 /nfs/dbraw/zinc/39/81/81/1225398181.db2.gz JCFVRLGMGTUTDI-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615444 1225398186 /nfs/dbraw/zinc/39/81/86/1225398186.db2.gz JCFVRLGMGTUTDI-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615444 1225398191 /nfs/dbraw/zinc/39/81/91/1225398191.db2.gz JCFVRLGMGTUTDI-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615444 1225398197 /nfs/dbraw/zinc/39/81/97/1225398197.db2.gz JCFVRLGMGTUTDI-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221616535 1225400014 /nfs/dbraw/zinc/40/00/14/1225400014.db2.gz OMJWWPWXVJKZCE-NZSAHSFTSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616535 1225400017 /nfs/dbraw/zinc/40/00/17/1225400017.db2.gz OMJWWPWXVJKZCE-NZSAHSFTSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616535 1225400018 /nfs/dbraw/zinc/40/00/18/1225400018.db2.gz OMJWWPWXVJKZCE-NZSAHSFTSA-N 2 1 365.518 0.935 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001009448734 1212851549 /nfs/dbraw/zinc/85/15/49/1212851549.db2.gz OFYDPICCYYFTLP-XLSPSMHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001009448734 1212851553 /nfs/dbraw/zinc/85/15/53/1212851553.db2.gz OFYDPICCYYFTLP-XLSPSMHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001009448734 1212851556 /nfs/dbraw/zinc/85/15/56/1212851556.db2.gz OFYDPICCYYFTLP-XLSPSMHOSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824108 1225416885 /nfs/dbraw/zinc/41/68/85/1225416885.db2.gz LQRGBHFUVVUJJY-QUCCMNQESA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824108 1225416888 /nfs/dbraw/zinc/41/68/88/1225416888.db2.gz LQRGBHFUVVUJJY-QUCCMNQESA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824108 1225416893 /nfs/dbraw/zinc/41/68/93/1225416893.db2.gz LQRGBHFUVVUJJY-QUCCMNQESA-N 2 1 366.550 0.708 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000953978544 1213029909 /nfs/dbraw/zinc/02/99/09/1213029909.db2.gz SWXFUISPXQZYSK-RHSMWYFYSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000953978544 1213029916 /nfs/dbraw/zinc/02/99/16/1213029916.db2.gz SWXFUISPXQZYSK-RHSMWYFYSA-N 2 1 361.490 0.981 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954408833 1213069984 /nfs/dbraw/zinc/06/99/84/1213069984.db2.gz TUEGLGVSLFQHBE-SOLBZPMBSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954408833 1213069985 /nfs/dbraw/zinc/06/99/85/1213069985.db2.gz TUEGLGVSLFQHBE-SOLBZPMBSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954408833 1213069987 /nfs/dbraw/zinc/06/99/87/1213069987.db2.gz TUEGLGVSLFQHBE-SOLBZPMBSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662641 1225423588 /nfs/dbraw/zinc/42/35/88/1225423588.db2.gz XDSMCPPITSPMQA-DJIMGWMZSA-N 2 1 359.474 0.705 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662641 1225423595 /nfs/dbraw/zinc/42/35/95/1225423595.db2.gz XDSMCPPITSPMQA-DJIMGWMZSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000954952475 1213124420 /nfs/dbraw/zinc/12/44/20/1213124420.db2.gz HVICSGZLUWEGHV-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000954952475 1213124421 /nfs/dbraw/zinc/12/44/21/1213124421.db2.gz HVICSGZLUWEGHV-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP CC1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000955108584 1213133564 /nfs/dbraw/zinc/13/35/64/1213133564.db2.gz BATKEJJLPBVHQT-NVXWUHKLSA-N 2 1 366.506 0.107 20 0 FCADMP CC1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000955108584 1213133565 /nfs/dbraw/zinc/13/35/65/1213133565.db2.gz BATKEJJLPBVHQT-NVXWUHKLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000956413726 1213193966 /nfs/dbraw/zinc/19/39/66/1213193966.db2.gz IORIRNKBMSVLAI-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000956413726 1213193967 /nfs/dbraw/zinc/19/39/67/1213193967.db2.gz IORIRNKBMSVLAI-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)[C@@H]1CCNC1=O ZINC000957726605 1213352342 /nfs/dbraw/zinc/35/23/42/1213352342.db2.gz WAAHGMAHZHHKKR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+](CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)[C@@H]1CCNC1=O ZINC000957726605 1213352344 /nfs/dbraw/zinc/35/23/44/1213352344.db2.gz WAAHGMAHZHHKKR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)[C@@H]1CCNC1=O ZINC000957726605 1213352346 /nfs/dbraw/zinc/35/23/46/1213352346.db2.gz WAAHGMAHZHHKKR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[C@@H]1CCNC1=O ZINC000957726605 1213352349 /nfs/dbraw/zinc/35/23/49/1213352349.db2.gz WAAHGMAHZHHKKR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[C@@H]1CCNC1=O ZINC000957726605 1213352352 /nfs/dbraw/zinc/35/23/52/1213352352.db2.gz WAAHGMAHZHHKKR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cncc(OC)n4)C[C@H]32)CC[N@@H+]1C ZINC000960004364 1213576797 /nfs/dbraw/zinc/57/67/97/1213576797.db2.gz QWOUFMWASOEJPD-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cncc(OC)n4)C[C@H]32)CC[N@H+]1C ZINC000960004364 1213576801 /nfs/dbraw/zinc/57/68/01/1213576801.db2.gz QWOUFMWASOEJPD-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cncc(OC)n4)C[C@H]32)CC[NH+]1C ZINC000960004364 1213576805 /nfs/dbraw/zinc/57/68/05/1213576805.db2.gz QWOUFMWASOEJPD-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cncc(OC)n4)C[C@H]32)CC[NH+]1C ZINC000960004364 1213576808 /nfs/dbraw/zinc/57/68/08/1213576808.db2.gz QWOUFMWASOEJPD-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCn2cncn2)CC[N@H+]1C ZINC000960270095 1213688258 /nfs/dbraw/zinc/68/82/58/1213688258.db2.gz ZKBSTBXKIKLUAI-YCEFEEMOSA-N 2 1 368.485 0.990 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960415335 1213747745 /nfs/dbraw/zinc/74/77/45/1213747745.db2.gz KQPCYYYHMHMQOL-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21)[NH+](C)C ZINC000960569464 1213823763 /nfs/dbraw/zinc/82/37/63/1213823763.db2.gz CBAVLJAWBARGCB-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001011131910 1213833593 /nfs/dbraw/zinc/83/35/93/1213833593.db2.gz OIMAGMFSOANPIE-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001011131910 1213833595 /nfs/dbraw/zinc/83/35/95/1213833595.db2.gz OIMAGMFSOANPIE-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418833171 1213850578 /nfs/dbraw/zinc/85/05/78/1213850578.db2.gz KUXRGWNRRLAQFI-KXBFYZLASA-N 2 1 360.458 0.887 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011251750 1213857713 /nfs/dbraw/zinc/85/77/13/1213857713.db2.gz BTGUYCODGDNATL-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011251750 1213857716 /nfs/dbraw/zinc/85/77/16/1213857716.db2.gz BTGUYCODGDNATL-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011251750 1213857718 /nfs/dbraw/zinc/85/77/18/1213857718.db2.gz BTGUYCODGDNATL-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011251750 1213857723 /nfs/dbraw/zinc/85/77/23/1213857723.db2.gz BTGUYCODGDNATL-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)ncn1 ZINC000960718588 1213906202 /nfs/dbraw/zinc/90/62/02/1213906202.db2.gz OEHIXEMGOMQQAW-BPQIPLTHSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)ncn1 ZINC000960718588 1213906206 /nfs/dbraw/zinc/90/62/06/1213906206.db2.gz OEHIXEMGOMQQAW-BPQIPLTHSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC001017343438 1214090794 /nfs/dbraw/zinc/09/07/94/1214090794.db2.gz PJQWDRCDUQXQJM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC001017343438 1214090804 /nfs/dbraw/zinc/09/08/04/1214090804.db2.gz PJQWDRCDUQXQJM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001017343438 1214090809 /nfs/dbraw/zinc/09/08/09/1214090809.db2.gz PJQWDRCDUQXQJM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001017343438 1214090813 /nfs/dbraw/zinc/09/08/13/1214090813.db2.gz PJQWDRCDUQXQJM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001017488017 1214101821 /nfs/dbraw/zinc/10/18/21/1214101821.db2.gz YHZPIRWODGRMEG-KBAYOESNSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001017488017 1214101830 /nfs/dbraw/zinc/10/18/30/1214101830.db2.gz YHZPIRWODGRMEG-KBAYOESNSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001017488017 1214101834 /nfs/dbraw/zinc/10/18/34/1214101834.db2.gz YHZPIRWODGRMEG-KBAYOESNSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC001017587023 1214120510 /nfs/dbraw/zinc/12/05/10/1214120510.db2.gz MJJUCDREBYAKRM-NVXWUHKLSA-N 2 1 360.502 0.697 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+](C)C4CCC4)C3)C2)CC[N@H+]1C ZINC001019121800 1214199262 /nfs/dbraw/zinc/19/92/62/1214199262.db2.gz KNFHGLUOBYWHGN-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[N@H+](C)C4CCC4)C3)C2)CC[NH+]1C ZINC001019121800 1214199270 /nfs/dbraw/zinc/19/92/70/1214199270.db2.gz KNFHGLUOBYWHGN-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[N@@H+](C)C4CCC4)C3)C2)CC[NH+]1C ZINC001019121800 1214199273 /nfs/dbraw/zinc/19/92/73/1214199273.db2.gz KNFHGLUOBYWHGN-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001221873408 1225517370 /nfs/dbraw/zinc/51/73/70/1225517370.db2.gz YLSHJLQJAWRJNT-IAGOWNOFSA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221873408 1225517374 /nfs/dbraw/zinc/51/73/74/1225517374.db2.gz YLSHJLQJAWRJNT-IAGOWNOFSA-N 2 1 357.462 0.796 20 0 FCADMP COc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001020287923 1214328824 /nfs/dbraw/zinc/32/88/24/1214328824.db2.gz RFTBODAXEBOGQY-RAEVTNRLSA-N 2 1 363.462 0.250 20 0 FCADMP COc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001020287923 1214328831 /nfs/dbraw/zinc/32/88/31/1214328831.db2.gz RFTBODAXEBOGQY-RAEVTNRLSA-N 2 1 363.462 0.250 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC000961991184 1214394825 /nfs/dbraw/zinc/39/48/25/1214394825.db2.gz PMGYNNBJTMEMPZ-BLYZHGLHSA-N 2 1 371.432 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC000961991184 1214394829 /nfs/dbraw/zinc/39/48/29/1214394829.db2.gz PMGYNNBJTMEMPZ-BLYZHGLHSA-N 2 1 371.432 0.982 20 0 FCADMP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC000961991840 1214395770 /nfs/dbraw/zinc/39/57/70/1214395770.db2.gz UEWJDNOPAJDRAS-XSCHDIRWSA-N 2 1 364.494 0.081 20 0 FCADMP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC000961991840 1214395779 /nfs/dbraw/zinc/39/57/79/1214395779.db2.gz UEWJDNOPAJDRAS-XSCHDIRWSA-N 2 1 364.494 0.081 20 0 FCADMP CCCn1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961991782 1214396285 /nfs/dbraw/zinc/39/62/85/1214396285.db2.gz SQBDFZUDUHKGPG-PRLABOORSA-N 2 1 364.494 0.392 20 0 FCADMP CCCn1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961991782 1214396294 /nfs/dbraw/zinc/39/62/94/1214396294.db2.gz SQBDFZUDUHKGPG-PRLABOORSA-N 2 1 364.494 0.392 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221894878 1225525873 /nfs/dbraw/zinc/52/58/73/1225525873.db2.gz MDHBHWWASNLVQG-ZTFGCOKTSA-N 2 1 371.441 0.421 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221894878 1225525879 /nfs/dbraw/zinc/52/58/79/1225525879.db2.gz MDHBHWWASNLVQG-ZTFGCOKTSA-N 2 1 371.441 0.421 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944982 1225545744 /nfs/dbraw/zinc/54/57/44/1225545744.db2.gz DDBWXSIHLOGGSC-GVDBMIGSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944982 1225545749 /nfs/dbraw/zinc/54/57/49/1225545749.db2.gz DDBWXSIHLOGGSC-GVDBMIGSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221944982 1225545753 /nfs/dbraw/zinc/54/57/53/1225545753.db2.gz DDBWXSIHLOGGSC-GVDBMIGSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221944982 1225545756 /nfs/dbraw/zinc/54/57/56/1225545756.db2.gz DDBWXSIHLOGGSC-GVDBMIGSSA-N 2 1 365.522 0.569 20 0 FCADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221950493 1225548603 /nfs/dbraw/zinc/54/86/03/1225548603.db2.gz KJZAEXKBKHEMIL-JFIYKMOQSA-N 2 1 361.490 0.957 20 0 FCADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221950493 1225548611 /nfs/dbraw/zinc/54/86/11/1225548611.db2.gz KJZAEXKBKHEMIL-JFIYKMOQSA-N 2 1 361.490 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC000963153945 1214752693 /nfs/dbraw/zinc/75/26/93/1214752693.db2.gz NKQADTXTMAKAHX-KLHDSHLOSA-N 2 1 359.474 0.884 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221947169 1225547603 /nfs/dbraw/zinc/54/76/03/1225547603.db2.gz WDJUTBNCABBGPW-QZTJIDSGSA-N 2 1 363.506 0.556 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCC(=O)NC2=O)C3)CC[N@H+]1C ZINC000963830148 1214860428 /nfs/dbraw/zinc/86/04/28/1214860428.db2.gz KVJDDKYGNXALLW-WDEIXPSFSA-N 2 1 362.474 0.149 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000965979636 1215155225 /nfs/dbraw/zinc/15/52/25/1215155225.db2.gz SFNHMHVQBBOCHO-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000965979636 1215155229 /nfs/dbraw/zinc/15/52/29/1215155229.db2.gz SFNHMHVQBBOCHO-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000965979636 1215155230 /nfs/dbraw/zinc/15/52/30/1215155230.db2.gz SFNHMHVQBBOCHO-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000965979636 1215155233 /nfs/dbraw/zinc/15/52/33/1215155233.db2.gz SFNHMHVQBBOCHO-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000968113804 1215288562 /nfs/dbraw/zinc/28/85/62/1215288562.db2.gz HSEUNLCOFGAREX-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000968113804 1215288564 /nfs/dbraw/zinc/28/85/64/1215288564.db2.gz HSEUNLCOFGAREX-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000968113804 1215288566 /nfs/dbraw/zinc/28/85/66/1215288566.db2.gz HSEUNLCOFGAREX-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000968113804 1215288568 /nfs/dbraw/zinc/28/85/68/1215288568.db2.gz HSEUNLCOFGAREX-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001222053420 1225592577 /nfs/dbraw/zinc/59/25/77/1225592577.db2.gz PNNWTAVECJPXIE-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001222053420 1225592580 /nfs/dbraw/zinc/59/25/80/1225592580.db2.gz PNNWTAVECJPXIE-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001222053420 1225592583 /nfs/dbraw/zinc/59/25/83/1225592583.db2.gz PNNWTAVECJPXIE-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001222053420 1225592585 /nfs/dbraw/zinc/59/25/85/1225592585.db2.gz PNNWTAVECJPXIE-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442816 1225624777 /nfs/dbraw/zinc/62/47/77/1225624777.db2.gz NMBDQZRZUZJMPY-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442816 1225624779 /nfs/dbraw/zinc/62/47/79/1225624779.db2.gz NMBDQZRZUZJMPY-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442816 1225624782 /nfs/dbraw/zinc/62/47/82/1225624782.db2.gz NMBDQZRZUZJMPY-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442816 1225624785 /nfs/dbraw/zinc/62/47/85/1225624785.db2.gz NMBDQZRZUZJMPY-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP O=C1C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001222521281 1225630344 /nfs/dbraw/zinc/63/03/44/1225630344.db2.gz OVEMNNFRBIFWCC-UHFFFAOYSA-N 3 1 353.470 0.799 20 0 FCADMP O=C1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001222521281 1225630349 /nfs/dbraw/zinc/63/03/49/1225630349.db2.gz OVEMNNFRBIFWCC-UHFFFAOYSA-N 3 1 353.470 0.799 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC001055652678 1215900445 /nfs/dbraw/zinc/90/04/45/1215900445.db2.gz JGGBDGIXRHNVIR-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055652925 1215901060 /nfs/dbraw/zinc/90/10/60/1215901060.db2.gz TURDQCFQKOVFOW-NVXWUHKLSA-N 2 1 368.522 0.591 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCOC2)cn1 ZINC001098013643 1215925405 /nfs/dbraw/zinc/92/54/05/1215925405.db2.gz ZNPFHDXAIUHMRP-DDBAPUKQSA-N 2 1 361.490 0.816 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001055966833 1215929777 /nfs/dbraw/zinc/92/97/77/1215929777.db2.gz KWDADLUFNIOWEX-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693849 1225646046 /nfs/dbraw/zinc/64/60/46/1225646046.db2.gz DPNXUZCUNWLQDN-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](Cc3ccn(C)c(=O)c3)CC2)CC[N@H+]1C ZINC001000700723 1216108196 /nfs/dbraw/zinc/10/81/96/1216108196.db2.gz VEUBWGCNKBSLBM-CRAIPNDOSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](Cc3ccn(C)c(=O)c3)CC2)CC[NH+]1C ZINC001000700723 1216108200 /nfs/dbraw/zinc/10/82/00/1216108200.db2.gz VEUBWGCNKBSLBM-CRAIPNDOSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](Cc3ccn(C)c(=O)c3)CC2)CC[NH+]1C ZINC001000700723 1216108201 /nfs/dbraw/zinc/10/82/01/1216108201.db2.gz VEUBWGCNKBSLBM-CRAIPNDOSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC001050525153 1216331512 /nfs/dbraw/zinc/33/15/12/1216331512.db2.gz SUMDFAKFYOSSQZ-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001051623587 1216467676 /nfs/dbraw/zinc/46/76/76/1216467676.db2.gz HPJTZLBCLIDFLG-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051625252 1216469722 /nfs/dbraw/zinc/46/97/22/1216469722.db2.gz XLFMZDPNCFCIGY-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCC4CC4)CC3)C2)O1 ZINC001052043094 1216490850 /nfs/dbraw/zinc/49/08/50/1216490850.db2.gz OMQRDZZNYKITFY-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCC4CC4)CC3)C2)O1 ZINC001052043094 1216490860 /nfs/dbraw/zinc/49/08/60/1216490860.db2.gz OMQRDZZNYKITFY-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001057739312 1216530536 /nfs/dbraw/zinc/53/05/36/1216530536.db2.gz UVJKOOMBQCIUSH-ZACQAIPSSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC001057740966 1216531602 /nfs/dbraw/zinc/53/16/02/1216531602.db2.gz IKECXDGNAPASOW-IAGOWNOFSA-N 2 1 368.522 0.140 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1C ZINC001057746192 1216536770 /nfs/dbraw/zinc/53/67/70/1216536770.db2.gz OPVWTBPZNMSWIA-BBWFWOEESA-N 2 1 370.538 0.240 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223116409 1225682264 /nfs/dbraw/zinc/68/22/64/1225682264.db2.gz VOPHOOZGEWFECH-WBVHZDCISA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223116409 1225682267 /nfs/dbraw/zinc/68/22/67/1225682267.db2.gz VOPHOOZGEWFECH-WBVHZDCISA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)cn1 ZINC000827450445 1216603346 /nfs/dbraw/zinc/60/33/46/1216603346.db2.gz HQXXKHRXGBIUTK-UHFFFAOYSA-N 2 1 354.418 0.836 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001067536509 1216685583 /nfs/dbraw/zinc/68/55/83/1216685583.db2.gz XHUIWZAFUODVID-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001067536509 1216685585 /nfs/dbraw/zinc/68/55/85/1216685585.db2.gz XHUIWZAFUODVID-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958986 1216867413 /nfs/dbraw/zinc/86/74/13/1216867413.db2.gz XBPKEXASWXHYCJ-WCXIOVBPSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958986 1216867416 /nfs/dbraw/zinc/86/74/16/1216867416.db2.gz XBPKEXASWXHYCJ-WCXIOVBPSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958986 1216867417 /nfs/dbraw/zinc/86/74/17/1216867417.db2.gz XBPKEXASWXHYCJ-WCXIOVBPSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958986 1216867418 /nfs/dbraw/zinc/86/74/18/1216867418.db2.gz XBPKEXASWXHYCJ-WCXIOVBPSA-N 2 1 364.494 0.385 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)CC1 ZINC001223377905 1225701507 /nfs/dbraw/zinc/70/15/07/1225701507.db2.gz AIYMXMOPYLZZCS-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)CC1 ZINC001223377905 1225701512 /nfs/dbraw/zinc/70/15/12/1225701512.db2.gz AIYMXMOPYLZZCS-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387307 1225702147 /nfs/dbraw/zinc/70/21/47/1225702147.db2.gz DYWULRNLXOENOG-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387307 1225702151 /nfs/dbraw/zinc/70/21/51/1225702151.db2.gz DYWULRNLXOENOG-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)[C@H]2C1 ZINC001223431315 1225705630 /nfs/dbraw/zinc/70/56/30/1225705630.db2.gz XNLVFKZJZDKYRJ-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)[C@H]2C1 ZINC001223431315 1225705634 /nfs/dbraw/zinc/70/56/34/1225705634.db2.gz XNLVFKZJZDKYRJ-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506071 1225712521 /nfs/dbraw/zinc/71/25/21/1225712521.db2.gz XJPBPFCOCXUHKC-NUJGCVRESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506071 1225712523 /nfs/dbraw/zinc/71/25/23/1225712523.db2.gz XJPBPFCOCXUHKC-NUJGCVRESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506071 1225712526 /nfs/dbraw/zinc/71/25/26/1225712526.db2.gz XJPBPFCOCXUHKC-NUJGCVRESA-N 2 1 362.518 0.777 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223726842 1225730969 /nfs/dbraw/zinc/73/09/69/1225730969.db2.gz OXWSWLQZDIKZBY-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223846638 1225739578 /nfs/dbraw/zinc/73/95/78/1225739578.db2.gz PYNDUNUPSBBEOD-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223846638 1225739587 /nfs/dbraw/zinc/73/95/87/1225739587.db2.gz PYNDUNUPSBBEOD-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223846638 1225739589 /nfs/dbraw/zinc/73/95/89/1225739589.db2.gz PYNDUNUPSBBEOD-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044778339 1217879189 /nfs/dbraw/zinc/87/91/89/1217879189.db2.gz DYLBHLJYURYDKP-IKGGRYGDSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044778339 1217879190 /nfs/dbraw/zinc/87/91/90/1217879190.db2.gz DYLBHLJYURYDKP-IKGGRYGDSA-N 2 1 361.490 0.880 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC001045673123 1217946910 /nfs/dbraw/zinc/94/69/10/1217946910.db2.gz ZKSHOTQTOHVAHU-HRCADAONSA-N 2 1 366.506 0.189 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000900023567 1217955739 /nfs/dbraw/zinc/95/57/39/1217955739.db2.gz ORVYSPHHONODSJ-UHFFFAOYSA-N 2 1 365.566 0.643 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cnnn2C)O1 ZINC001045802431 1217961278 /nfs/dbraw/zinc/96/12/78/1217961278.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 1 362.478 0.100 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cnnn2C)O1 ZINC001045802431 1217961283 /nfs/dbraw/zinc/96/12/83/1217961283.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 1 362.478 0.100 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417318 1218035632 /nfs/dbraw/zinc/03/56/32/1218035632.db2.gz LMRXKXWYENDSGZ-ZTNFWEORSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417318 1218035637 /nfs/dbraw/zinc/03/56/37/1218035637.db2.gz LMRXKXWYENDSGZ-ZTNFWEORSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417318 1218035643 /nfs/dbraw/zinc/03/56/43/1218035643.db2.gz LMRXKXWYENDSGZ-ZTNFWEORSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417318 1218035648 /nfs/dbraw/zinc/03/56/48/1218035648.db2.gz LMRXKXWYENDSGZ-ZTNFWEORSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421427 1218036220 /nfs/dbraw/zinc/03/62/20/1218036220.db2.gz WPPSIYDRLBUGHI-OGWOLHLISA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421427 1218036225 /nfs/dbraw/zinc/03/62/25/1218036225.db2.gz WPPSIYDRLBUGHI-OGWOLHLISA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421427 1218036232 /nfs/dbraw/zinc/03/62/32/1218036232.db2.gz WPPSIYDRLBUGHI-OGWOLHLISA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421427 1218036240 /nfs/dbraw/zinc/03/62/40/1218036240.db2.gz WPPSIYDRLBUGHI-OGWOLHLISA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139872 1218091017 /nfs/dbraw/zinc/09/10/17/1218091017.db2.gz KYXHIBYTHSTSSQ-UGUYLWEFSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139872 1218091025 /nfs/dbraw/zinc/09/10/25/1218091025.db2.gz KYXHIBYTHSTSSQ-UGUYLWEFSA-N 2 1 362.478 0.044 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891306 1218336014 /nfs/dbraw/zinc/33/60/14/1218336014.db2.gz NNNCGOCTCCKLCQ-IQZDNPOKSA-N 2 1 365.518 0.911 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891306 1218336020 /nfs/dbraw/zinc/33/60/20/1218336020.db2.gz NNNCGOCTCCKLCQ-IQZDNPOKSA-N 2 1 365.518 0.911 20 0 FCADMP CO[C@H](C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891306 1218336027 /nfs/dbraw/zinc/33/60/27/1218336027.db2.gz NNNCGOCTCCKLCQ-IQZDNPOKSA-N 2 1 365.518 0.911 20 0 FCADMP CO[C@H](C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1)C1CCC1 ZINC001048891306 1218336034 /nfs/dbraw/zinc/33/60/34/1218336034.db2.gz NNNCGOCTCCKLCQ-IQZDNPOKSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891662 1218336930 /nfs/dbraw/zinc/33/69/30/1218336930.db2.gz TWCRAGWSEBBYPB-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891662 1218336938 /nfs/dbraw/zinc/33/69/38/1218336938.db2.gz TWCRAGWSEBBYPB-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891662 1218336943 /nfs/dbraw/zinc/33/69/43/1218336943.db2.gz TWCRAGWSEBBYPB-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891662 1218336949 /nfs/dbraw/zinc/33/69/49/1218336949.db2.gz TWCRAGWSEBBYPB-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)CC1 ZINC001049476235 1218459295 /nfs/dbraw/zinc/45/92/95/1218459295.db2.gz ADIWVJQCTZVRDO-XWSJACJDSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001049485076 1218462786 /nfs/dbraw/zinc/46/27/86/1218462786.db2.gz KUHMTSBFWOSAEP-QBPKDAKJSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485076 1218462795 /nfs/dbraw/zinc/46/27/95/1218462795.db2.gz KUHMTSBFWOSAEP-QBPKDAKJSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485076 1218462801 /nfs/dbraw/zinc/46/28/01/1218462801.db2.gz KUHMTSBFWOSAEP-QBPKDAKJSA-N 2 1 363.506 0.417 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001096548431 1218476406 /nfs/dbraw/zinc/47/64/06/1218476406.db2.gz CJWASKKURWQAFJ-QZWWFDLISA-N 2 1 358.446 0.171 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001096548431 1218476407 /nfs/dbraw/zinc/47/64/07/1218476407.db2.gz CJWASKKURWQAFJ-QZWWFDLISA-N 2 1 358.446 0.171 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCCN(Cc3cnnn3C)CC2)C1=O ZINC001277073007 1225824797 /nfs/dbraw/zinc/82/47/97/1225824797.db2.gz XJJMVDONSBENBO-SFHVURJKSA-N 2 1 357.462 0.953 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)NC1CCCCC1 ZINC000903737697 1218510657 /nfs/dbraw/zinc/51/06/57/1218510657.db2.gz VAAMMADGAAHZKX-UYAOXDASSA-N 2 1 364.534 0.822 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734080 1218511435 /nfs/dbraw/zinc/51/14/35/1218511435.db2.gz UUTXSDVNXZZXAO-HBFSDRIKSA-N 2 1 364.534 0.774 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001096584225 1218565937 /nfs/dbraw/zinc/56/59/37/1218565937.db2.gz UJMPZOKNDRUKGJ-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001096584225 1218565944 /nfs/dbraw/zinc/56/59/44/1218565944.db2.gz UJMPZOKNDRUKGJ-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)C1 ZINC001096584225 1218565955 /nfs/dbraw/zinc/56/59/55/1218565955.db2.gz UJMPZOKNDRUKGJ-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2cnn(C)c2)C1 ZINC001096584225 1218565962 /nfs/dbraw/zinc/56/59/62/1218565962.db2.gz UJMPZOKNDRUKGJ-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001097095206 1218687869 /nfs/dbraw/zinc/68/78/69/1218687869.db2.gz FETXDKGUWNGSOU-MXASKKJJSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001097095206 1218687871 /nfs/dbraw/zinc/68/78/71/1218687871.db2.gz FETXDKGUWNGSOU-MXASKKJJSA-N 2 1 374.489 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)O1 ZINC001097323035 1218777125 /nfs/dbraw/zinc/77/71/25/1218777125.db2.gz PVFLKRBOALWSAK-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)O1 ZINC001097323035 1218777130 /nfs/dbraw/zinc/77/71/30/1218777130.db2.gz PVFLKRBOALWSAK-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)O1 ZINC001097323035 1218777145 /nfs/dbraw/zinc/77/71/45/1218777145.db2.gz PVFLKRBOALWSAK-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)O1 ZINC001097323035 1218777157 /nfs/dbraw/zinc/77/71/57/1218777157.db2.gz PVFLKRBOALWSAK-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C12CCC[NH+]1CCC2 ZINC001097430639 1218808375 /nfs/dbraw/zinc/80/83/75/1218808375.db2.gz MQLMDQLGXXJRKU-OAGGEKHMSA-N 2 1 374.485 0.485 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C12CCC[NH+]1CCC2 ZINC001097430639 1218808377 /nfs/dbraw/zinc/80/83/77/1218808377.db2.gz MQLMDQLGXXJRKU-OAGGEKHMSA-N 2 1 374.485 0.485 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111449626 1218809714 /nfs/dbraw/zinc/80/97/14/1218809714.db2.gz DOUHEURYLLMSHH-TUVASFSCSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111449626 1218809715 /nfs/dbraw/zinc/80/97/15/1218809715.db2.gz DOUHEURYLLMSHH-TUVASFSCSA-N 2 1 365.478 0.167 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001097779548 1218844972 /nfs/dbraw/zinc/84/49/72/1218844972.db2.gz QPGUYGDXJANVKR-TWMKSMIVSA-N 2 1 358.490 0.829 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001097779156 1218845272 /nfs/dbraw/zinc/84/52/72/1218845272.db2.gz IOWIPMNINMVDDD-OAGGEKHMSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@@H]3C2)CC[N@H+]1C ZINC001055347818 1219031400 /nfs/dbraw/zinc/03/14/00/1219031400.db2.gz FBAUHNLRLSWWMC-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001055358742 1219033780 /nfs/dbraw/zinc/03/37/80/1219033780.db2.gz HPLNDFMYPHPOLT-XWTMOSNGSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001055358742 1219033784 /nfs/dbraw/zinc/03/37/84/1219033784.db2.gz HPLNDFMYPHPOLT-XWTMOSNGSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001055358742 1219033788 /nfs/dbraw/zinc/03/37/88/1219033788.db2.gz HPLNDFMYPHPOLT-XWTMOSNGSA-N 2 1 364.534 0.974 20 0 FCADMP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001055505878 1219061744 /nfs/dbraw/zinc/06/17/44/1219061744.db2.gz RUYWGGSUZHLZQR-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2)[NH+](C)C ZINC001227057105 1225862516 /nfs/dbraw/zinc/86/25/16/1225862516.db2.gz NAOUKUWIUXOKKE-RBSFLKMASA-N 2 1 364.494 0.666 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227083266 1225863405 /nfs/dbraw/zinc/86/34/05/1225863405.db2.gz QQBLGJQHEJMZHB-KURKYZTESA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CC34CC4)CC2)CC[N@H+]1C ZINC001055583458 1219087582 /nfs/dbraw/zinc/08/75/82/1219087582.db2.gz ONRGLMDOFAJEPF-DJIMGWMZSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055587261 1219089671 /nfs/dbraw/zinc/08/96/71/1219089671.db2.gz XOVAWCRBKPRQGG-KXBFYZLASA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804049245 1219102624 /nfs/dbraw/zinc/10/26/24/1219102624.db2.gz CAQCTDQGYQBSKY-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804058336 1219113691 /nfs/dbraw/zinc/11/36/91/1219113691.db2.gz ZVLLLJZMCCYPEQ-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804058336 1219113692 /nfs/dbraw/zinc/11/36/92/1219113692.db2.gz ZVLLLJZMCCYPEQ-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804058336 1219113699 /nfs/dbraw/zinc/11/36/99/1219113699.db2.gz ZVLLLJZMCCYPEQ-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000804060991 1219114385 /nfs/dbraw/zinc/11/43/85/1219114385.db2.gz QWDYKISQIJEUOX-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000804062209 1219117765 /nfs/dbraw/zinc/11/77/65/1219117765.db2.gz DDXHBZTUVKRVLO-IAGOWNOFSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061171 1219118125 /nfs/dbraw/zinc/11/81/25/1219118125.db2.gz RURNQRWAGRSWHE-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001070073241 1219140151 /nfs/dbraw/zinc/14/01/51/1219140151.db2.gz AZAVZQQIQNFFBT-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001070073241 1219140156 /nfs/dbraw/zinc/14/01/56/1219140156.db2.gz AZAVZQQIQNFFBT-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070073241 1219140160 /nfs/dbraw/zinc/14/01/60/1219140160.db2.gz AZAVZQQIQNFFBT-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070073241 1219140165 /nfs/dbraw/zinc/14/01/65/1219140165.db2.gz AZAVZQQIQNFFBT-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC001070122987 1219195268 /nfs/dbraw/zinc/19/52/68/1219195268.db2.gz BWNKGIISTNOBBT-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070132761 1219207337 /nfs/dbraw/zinc/20/73/37/1219207337.db2.gz RHUSFRYUSISLNB-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC001070133539 1219209569 /nfs/dbraw/zinc/20/95/69/1219209569.db2.gz DSPSZAIIJTVYGL-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158257 1219243503 /nfs/dbraw/zinc/24/35/03/1219243503.db2.gz CLCDKDGPDZYJAQ-KURKYZTESA-N 2 1 369.473 0.617 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158257 1219243508 /nfs/dbraw/zinc/24/35/08/1219243508.db2.gz CLCDKDGPDZYJAQ-KURKYZTESA-N 2 1 369.473 0.617 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158299 1219244797 /nfs/dbraw/zinc/24/47/97/1219244797.db2.gz DZRMTGAIAYSIMM-OAGGEKHMSA-N 2 1 359.434 0.210 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158299 1219244801 /nfs/dbraw/zinc/24/48/01/1219244801.db2.gz DZRMTGAIAYSIMM-OAGGEKHMSA-N 2 1 359.434 0.210 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227524567 1225878194 /nfs/dbraw/zinc/87/81/94/1225878194.db2.gz ALGPFCUWNQHYDE-BFHYXJOUSA-N 2 1 364.450 0.053 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)NC(C)C ZINC001227525369 1225878365 /nfs/dbraw/zinc/87/83/65/1225878365.db2.gz UNOXOSPTJPPURN-HZPDHXFCSA-N 2 1 364.494 0.916 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070165431 1219256487 /nfs/dbraw/zinc/25/64/87/1219256487.db2.gz OXEYHHAMXKRWDY-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070165431 1219256495 /nfs/dbraw/zinc/25/64/95/1219256495.db2.gz OXEYHHAMXKRWDY-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070260437 1219330398 /nfs/dbraw/zinc/33/03/98/1219330398.db2.gz JEKDWXLMQSFDEJ-IXDOHACOSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070260437 1219330402 /nfs/dbraw/zinc/33/04/02/1219330402.db2.gz JEKDWXLMQSFDEJ-IXDOHACOSA-N 2 1 362.478 0.139 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070309856 1219367251 /nfs/dbraw/zinc/36/72/51/1219367251.db2.gz GMDHRLNSXFSULO-NXHRZFHOSA-N 2 1 369.473 0.557 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070309856 1219367256 /nfs/dbraw/zinc/36/72/56/1219367256.db2.gz GMDHRLNSXFSULO-NXHRZFHOSA-N 2 1 369.473 0.557 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2n2ccnn2)on1 ZINC001070311026 1219368259 /nfs/dbraw/zinc/36/82/59/1219368259.db2.gz JWCPYUYYHRKJGC-CVEARBPZSA-N 2 1 371.445 0.212 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001227953175 1225891689 /nfs/dbraw/zinc/89/16/89/1225891689.db2.gz CDZFRHYARKOFNQ-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001227953175 1225891690 /nfs/dbraw/zinc/89/16/90/1225891690.db2.gz CDZFRHYARKOFNQ-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515685 1219448815 /nfs/dbraw/zinc/44/88/15/1219448815.db2.gz QAHSGOBMHULZOO-BGBZDWQGSA-N 2 1 359.474 0.187 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCC1CC1 ZINC001070632409 1219497288 /nfs/dbraw/zinc/49/72/88/1219497288.db2.gz WZXHWULFUFIMOE-NUJGCVRESA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCC1CC1 ZINC001070632409 1219497291 /nfs/dbraw/zinc/49/72/91/1219497291.db2.gz WZXHWULFUFIMOE-NUJGCVRESA-N 2 1 361.490 0.435 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670185 1219517313 /nfs/dbraw/zinc/51/73/13/1219517313.db2.gz CCIQYJHIVDSRQX-XPSUUDRWSA-N 2 1 359.474 0.187 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719320 1219541731 /nfs/dbraw/zinc/54/17/31/1219541731.db2.gz ZKUXISFJFMYVJX-USXIJHARSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070719127 1219541836 /nfs/dbraw/zinc/54/18/36/1219541836.db2.gz TXLUBBJEWJOSJA-RCCFBDPRSA-N 2 1 368.485 0.851 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001070806843 1219547655 /nfs/dbraw/zinc/54/76/55/1219547655.db2.gz AIHNYLZLFFLWLK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071060050 1219596838 /nfs/dbraw/zinc/59/68/38/1219596838.db2.gz RCJRYFTWVSBLTA-NUJGCVRESA-N 2 1 366.506 0.332 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072851476 1219624545 /nfs/dbraw/zinc/62/45/45/1219624545.db2.gz XEHSRDGEDZRLPM-RHSMWYFYSA-N 2 1 361.490 0.482 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072851476 1219624546 /nfs/dbraw/zinc/62/45/46/1219624546.db2.gz XEHSRDGEDZRLPM-RHSMWYFYSA-N 2 1 361.490 0.482 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072851476 1219624548 /nfs/dbraw/zinc/62/45/48/1219624548.db2.gz XEHSRDGEDZRLPM-RHSMWYFYSA-N 2 1 361.490 0.482 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072851476 1219624550 /nfs/dbraw/zinc/62/45/50/1219624550.db2.gz XEHSRDGEDZRLPM-RHSMWYFYSA-N 2 1 361.490 0.482 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+](C)C)CC2(C)C)O1 ZINC001073421073 1219662684 /nfs/dbraw/zinc/66/26/84/1219662684.db2.gz OKGGGMJPLXJIPB-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+](C)C)CC2(C)C)O1 ZINC001073421073 1219662687 /nfs/dbraw/zinc/66/26/87/1219662687.db2.gz OKGGGMJPLXJIPB-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3cnn(C)c3)CCCO2)CC[N@@H+]1C ZINC001073605662 1219671688 /nfs/dbraw/zinc/67/16/88/1219671688.db2.gz QGSQJPRSLWCQFJ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3cnn(C)c3)CCCO2)CC[N@H+]1C ZINC001073605662 1219671692 /nfs/dbraw/zinc/67/16/92/1219671692.db2.gz QGSQJPRSLWCQFJ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073605662 1219671695 /nfs/dbraw/zinc/67/16/95/1219671695.db2.gz QGSQJPRSLWCQFJ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073605662 1219671700 /nfs/dbraw/zinc/67/17/00/1219671700.db2.gz QGSQJPRSLWCQFJ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N3CCCC3)CCCO2)CC[N@@H+]1C ZINC001073611539 1219673647 /nfs/dbraw/zinc/67/36/47/1219673647.db2.gz ZSDODCWNOOUQHS-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N3CCCC3)CCCO2)CC[N@H+]1C ZINC001073611539 1219673649 /nfs/dbraw/zinc/67/36/49/1219673649.db2.gz ZSDODCWNOOUQHS-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCCC3)CCCO2)CC[NH+]1C ZINC001073611539 1219673651 /nfs/dbraw/zinc/67/36/51/1219673651.db2.gz ZSDODCWNOOUQHS-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCCC3)CCCO2)CC[NH+]1C ZINC001073611539 1219673652 /nfs/dbraw/zinc/67/36/52/1219673652.db2.gz ZSDODCWNOOUQHS-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074646790 1219709324 /nfs/dbraw/zinc/70/93/24/1219709324.db2.gz CWDZMVYTROEWNR-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)nn1 ZINC001074709612 1219717577 /nfs/dbraw/zinc/71/75/77/1219717577.db2.gz JVSRSRUZPCOSHD-BFJAYTPKSA-N 2 1 363.462 0.283 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)nn1 ZINC001074709612 1219717581 /nfs/dbraw/zinc/71/75/81/1219717581.db2.gz JVSRSRUZPCOSHD-BFJAYTPKSA-N 2 1 363.462 0.283 20 0 FCADMP CCn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001074710730 1219717730 /nfs/dbraw/zinc/71/77/30/1219717730.db2.gz DPIXUFSDSDNVOS-MXSMSXNCSA-N 2 1 363.506 0.744 20 0 FCADMP CCn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001074710730 1219717733 /nfs/dbraw/zinc/71/77/33/1219717733.db2.gz DPIXUFSDSDNVOS-MXSMSXNCSA-N 2 1 363.506 0.744 20 0 FCADMP C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710009 1219717762 /nfs/dbraw/zinc/71/77/62/1219717762.db2.gz ZSDCNGLTVVMXPF-YQFWSFKMSA-N 2 1 362.474 0.183 20 0 FCADMP C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710009 1219717765 /nfs/dbraw/zinc/71/77/65/1219717765.db2.gz ZSDCNGLTVVMXPF-YQFWSFKMSA-N 2 1 362.474 0.183 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001098370950 1219767968 /nfs/dbraw/zinc/76/79/68/1219767968.db2.gz CKHCAJGFZUFGMC-NVXWUHKLSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3nccn3C)CC2)CC[N@H+]1C ZINC001098370950 1219767971 /nfs/dbraw/zinc/76/79/71/1219767971.db2.gz CKHCAJGFZUFGMC-NVXWUHKLSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3nccn3C)CC2)CC[NH+]1C ZINC001098370950 1219767973 /nfs/dbraw/zinc/76/79/73/1219767973.db2.gz CKHCAJGFZUFGMC-NVXWUHKLSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3nccn3C)CC2)CC[NH+]1C ZINC001098370950 1219767976 /nfs/dbraw/zinc/76/79/76/1219767976.db2.gz CKHCAJGFZUFGMC-NVXWUHKLSA-N 2 1 363.506 0.546 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393911 1219772648 /nfs/dbraw/zinc/77/26/48/1219772648.db2.gz GKFYEZICHPAPAU-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393911 1219772650 /nfs/dbraw/zinc/77/26/50/1219772650.db2.gz GKFYEZICHPAPAU-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393911 1219772653 /nfs/dbraw/zinc/77/26/53/1219772653.db2.gz GKFYEZICHPAPAU-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393911 1219772656 /nfs/dbraw/zinc/77/26/56/1219772656.db2.gz GKFYEZICHPAPAU-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001098408017 1219775152 /nfs/dbraw/zinc/77/51/52/1219775152.db2.gz XCZZWOUXGPQLSM-QXSJWSMHSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001098408017 1219775155 /nfs/dbraw/zinc/77/51/55/1219775155.db2.gz XCZZWOUXGPQLSM-QXSJWSMHSA-N 2 1 355.446 0.692 20 0 FCADMP CCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685287 1219810744 /nfs/dbraw/zinc/81/07/44/1219810744.db2.gz DUCAJGPYCSLKRR-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cncn2)C3)CC[N@H+]1C ZINC001098996439 1219883447 /nfs/dbraw/zinc/88/34/47/1219883447.db2.gz HSEGOAVOMFWLAZ-DWRORGKVSA-N 2 1 360.506 0.979 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001098996439 1219883451 /nfs/dbraw/zinc/88/34/51/1219883451.db2.gz HSEGOAVOMFWLAZ-DWRORGKVSA-N 2 1 360.506 0.979 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001098996439 1219883454 /nfs/dbraw/zinc/88/34/54/1219883454.db2.gz HSEGOAVOMFWLAZ-DWRORGKVSA-N 2 1 360.506 0.979 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001111466352 1219914052 /nfs/dbraw/zinc/91/40/52/1219914052.db2.gz RWWLYLJIYVJITP-VQHPVUNQSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001111466352 1219914055 /nfs/dbraw/zinc/91/40/55/1219914055.db2.gz RWWLYLJIYVJITP-VQHPVUNQSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001111466352 1219914058 /nfs/dbraw/zinc/91/40/58/1219914058.db2.gz RWWLYLJIYVJITP-VQHPVUNQSA-N 2 1 366.506 0.031 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2)C12CC[NH+](CC1)C2 ZINC001099122655 1219921801 /nfs/dbraw/zinc/92/18/01/1219921801.db2.gz FAJGILBBERNDBJ-YRNRMSPPSA-N 2 1 370.501 0.832 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228602028 1225934986 /nfs/dbraw/zinc/93/49/86/1225934986.db2.gz AFQHJIVQLINIMC-KBAYOESNSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(C)nn2)C1 ZINC001099463819 1220005923 /nfs/dbraw/zinc/00/59/23/1220005923.db2.gz FAKJNNGBNCMWHC-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099525874 1220023691 /nfs/dbraw/zinc/02/36/91/1220023691.db2.gz DGRHRLSYDBYAGY-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnon3)C2)C1 ZINC001099539640 1220026938 /nfs/dbraw/zinc/02/69/38/1220026938.db2.gz SLBJSEPADFUSCR-LESCRADOSA-N 2 1 363.462 0.509 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnon3)C2)C1 ZINC001099539640 1220026942 /nfs/dbraw/zinc/02/69/42/1220026942.db2.gz SLBJSEPADFUSCR-LESCRADOSA-N 2 1 363.462 0.509 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001228624502 1225939351 /nfs/dbraw/zinc/93/93/51/1225939351.db2.gz ZIVOYHWOERFIDV-MGPQQGTHSA-N 2 1 367.494 0.319 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000752435521 1220075457 /nfs/dbraw/zinc/07/54/57/1220075457.db2.gz NFWOIGAEIISRSF-UHFFFAOYSA-N 2 1 359.474 0.589 20 0 FCADMP Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779039 1220148179 /nfs/dbraw/zinc/14/81/79/1220148179.db2.gz HRQIQUHLPKTJSW-MSOLQXFVSA-N 2 1 373.501 0.959 20 0 FCADMP Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779042 1220148404 /nfs/dbraw/zinc/14/84/04/1220148404.db2.gz HRQIQUHLPKTJSW-QZTJIDSGSA-N 2 1 373.501 0.959 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241269 1220241873 /nfs/dbraw/zinc/24/18/73/1220241873.db2.gz YJKNUWACNZODAY-UWVAXJGDSA-N 2 1 362.518 0.635 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267575 1220256816 /nfs/dbraw/zinc/25/68/16/1220256816.db2.gz KSGNRFXWWAXFCV-LMMKCTJWSA-N 2 1 363.506 0.630 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267575 1220256818 /nfs/dbraw/zinc/25/68/18/1220256818.db2.gz KSGNRFXWWAXFCV-LMMKCTJWSA-N 2 1 363.506 0.630 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)O1 ZINC001101277806 1220263779 /nfs/dbraw/zinc/26/37/79/1220263779.db2.gz ZLJKHBYCYQHHRS-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)O1 ZINC001101277806 1220263782 /nfs/dbraw/zinc/26/37/82/1220263782.db2.gz ZLJKHBYCYQHHRS-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CC4)C[C@@]3(C)C2)O1 ZINC001101277806 1220263786 /nfs/dbraw/zinc/26/37/86/1220263786.db2.gz ZLJKHBYCYQHHRS-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CC4)C[C@@]3(C)C2)O1 ZINC001101277806 1220263790 /nfs/dbraw/zinc/26/37/90/1220263790.db2.gz ZLJKHBYCYQHHRS-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291437 1220272558 /nfs/dbraw/zinc/27/25/58/1220272558.db2.gz KNRJXQNNZXGGGB-BEFAXECRSA-N 2 1 355.442 0.864 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345046 1220296179 /nfs/dbraw/zinc/29/61/79/1220296179.db2.gz RAAUTGYPRWYYAG-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@@]2(C)C1 ZINC001101351290 1220298216 /nfs/dbraw/zinc/29/82/16/1220298216.db2.gz BKXITEDDZSLJEX-BEFAXECRSA-N 2 1 362.474 0.628 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@@]2(C)C1 ZINC001101351290 1220298219 /nfs/dbraw/zinc/29/82/19/1220298219.db2.gz BKXITEDDZSLJEX-BEFAXECRSA-N 2 1 362.474 0.628 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101418340 1220333474 /nfs/dbraw/zinc/33/34/74/1220333474.db2.gz MSLMQLXVUXTDBA-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101418340 1220333477 /nfs/dbraw/zinc/33/34/77/1220333477.db2.gz MSLMQLXVUXTDBA-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101418340 1220333478 /nfs/dbraw/zinc/33/34/78/1220333478.db2.gz MSLMQLXVUXTDBA-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429951 1220340267 /nfs/dbraw/zinc/34/02/67/1220340267.db2.gz IARSONGNPORXFQ-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429951 1220340271 /nfs/dbraw/zinc/34/02/71/1220340271.db2.gz IARSONGNPORXFQ-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429951 1220340277 /nfs/dbraw/zinc/34/02/77/1220340277.db2.gz IARSONGNPORXFQ-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001101431391 1220341039 /nfs/dbraw/zinc/34/10/39/1220341039.db2.gz MNPUTNJZXKIQIX-APWZRJJASA-N 2 1 360.502 0.389 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459681 1220358182 /nfs/dbraw/zinc/35/81/82/1220358182.db2.gz OXXQLOLNMRSPFE-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459681 1220358186 /nfs/dbraw/zinc/35/81/86/1220358186.db2.gz OXXQLOLNMRSPFE-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101459681 1220358192 /nfs/dbraw/zinc/35/81/92/1220358192.db2.gz OXXQLOLNMRSPFE-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101474962 1220366693 /nfs/dbraw/zinc/36/66/93/1220366693.db2.gz DHQXRAGGIJKLTA-HBFSDRIKSA-N 2 1 367.534 0.896 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477457 1220367854 /nfs/dbraw/zinc/36/78/54/1220367854.db2.gz VJPNGJSCLHZULF-APWZRJJASA-N 2 1 368.522 0.260 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477457 1220367856 /nfs/dbraw/zinc/36/78/56/1220367856.db2.gz VJPNGJSCLHZULF-APWZRJJASA-N 2 1 368.522 0.260 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477457 1220367860 /nfs/dbraw/zinc/36/78/60/1220367860.db2.gz VJPNGJSCLHZULF-APWZRJJASA-N 2 1 368.522 0.260 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844294 1220415023 /nfs/dbraw/zinc/41/50/23/1220415023.db2.gz UZJSEUCSJLRTNF-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844294 1220415025 /nfs/dbraw/zinc/41/50/25/1220415025.db2.gz UZJSEUCSJLRTNF-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844294 1220415030 /nfs/dbraw/zinc/41/50/30/1220415030.db2.gz UZJSEUCSJLRTNF-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844294 1220415033 /nfs/dbraw/zinc/41/50/33/1220415033.db2.gz UZJSEUCSJLRTNF-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975842 1220449471 /nfs/dbraw/zinc/44/94/71/1220449471.db2.gz DDDHZPMPHQHUFQ-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044721 1220474750 /nfs/dbraw/zinc/47/47/50/1220474750.db2.gz BTXNMBKMVUBPTD-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044923 1220476175 /nfs/dbraw/zinc/47/61/75/1220476175.db2.gz KOTMCVJZKWMFPO-ZACQAIPSSA-N 2 1 363.506 0.412 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070308 1220486066 /nfs/dbraw/zinc/48/60/66/1220486066.db2.gz FCWQVNMWLVDGIL-FMKPAKJESA-N 2 1 369.510 0.102 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091078 1220493066 /nfs/dbraw/zinc/49/30/66/1220493066.db2.gz QSQIQIVRIYHKKT-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091078 1220493068 /nfs/dbraw/zinc/49/30/68/1220493068.db2.gz QSQIQIVRIYHKKT-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091078 1220493073 /nfs/dbraw/zinc/49/30/73/1220493073.db2.gz QSQIQIVRIYHKKT-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091213 1220493253 /nfs/dbraw/zinc/49/32/53/1220493253.db2.gz XROALGBJSLECCT-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091213 1220493256 /nfs/dbraw/zinc/49/32/56/1220493256.db2.gz XROALGBJSLECCT-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091213 1220493257 /nfs/dbraw/zinc/49/32/57/1220493257.db2.gz XROALGBJSLECCT-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108621 1220498856 /nfs/dbraw/zinc/49/88/56/1220498856.db2.gz UZHLATDOXMXVBA-BFYDXBDKSA-N 2 1 361.490 0.856 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102188836 1220542539 /nfs/dbraw/zinc/54/25/39/1220542539.db2.gz JMWLKGYSMMLCCW-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102188836 1220542552 /nfs/dbraw/zinc/54/25/52/1220542552.db2.gz JMWLKGYSMMLCCW-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102188835 1220543010 /nfs/dbraw/zinc/54/30/10/1220543010.db2.gz JMWLKGYSMMLCCW-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102188835 1220543016 /nfs/dbraw/zinc/54/30/16/1220543016.db2.gz JMWLKGYSMMLCCW-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215735 1220557204 /nfs/dbraw/zinc/55/72/04/1220557204.db2.gz WSDIMZRWSYGBSM-ZIAGYGMSSA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215786 1220557663 /nfs/dbraw/zinc/55/76/63/1220557663.db2.gz ZABBOQNCPOTJGU-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273555 1220569889 /nfs/dbraw/zinc/56/98/89/1220569889.db2.gz GGLUXBGVYNPDDE-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273555 1220569892 /nfs/dbraw/zinc/56/98/92/1220569892.db2.gz GGLUXBGVYNPDDE-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273555 1220569901 /nfs/dbraw/zinc/56/99/01/1220569901.db2.gz GGLUXBGVYNPDDE-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286933 1220574162 /nfs/dbraw/zinc/57/41/62/1220574162.db2.gz FKOCUACKJZFWBA-ZIAGYGMSSA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286933 1220574166 /nfs/dbraw/zinc/57/41/66/1220574166.db2.gz FKOCUACKJZFWBA-ZIAGYGMSSA-N 2 1 364.494 0.662 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366558 1220594274 /nfs/dbraw/zinc/59/42/74/1220594274.db2.gz JOWDPAYTKGHJJL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366558 1220594276 /nfs/dbraw/zinc/59/42/76/1220594276.db2.gz JOWDPAYTKGHJJL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366558 1220594280 /nfs/dbraw/zinc/59/42/80/1220594280.db2.gz JOWDPAYTKGHJJL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375701 1220600973 /nfs/dbraw/zinc/60/09/73/1220600973.db2.gz XQURZTVQKMKNBL-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375701 1220600978 /nfs/dbraw/zinc/60/09/78/1220600978.db2.gz XQURZTVQKMKNBL-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375701 1220600979 /nfs/dbraw/zinc/60/09/79/1220600979.db2.gz XQURZTVQKMKNBL-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375701 1220600983 /nfs/dbraw/zinc/60/09/83/1220600983.db2.gz XQURZTVQKMKNBL-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384970 1220603524 /nfs/dbraw/zinc/60/35/24/1220603524.db2.gz LOABKZDLTACMJU-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102467889 1220637167 /nfs/dbraw/zinc/63/71/67/1220637167.db2.gz YNQAHKZGIDLHLY-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102467889 1220637170 /nfs/dbraw/zinc/63/71/70/1220637170.db2.gz YNQAHKZGIDLHLY-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142431 1225982806 /nfs/dbraw/zinc/98/28/06/1225982806.db2.gz SXZZVXBQTRNAOG-HZPDHXFCSA-N 2 1 368.522 0.640 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102496489 1220656956 /nfs/dbraw/zinc/65/69/56/1220656956.db2.gz XUUAUNZWKZIKBJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102496489 1220656958 /nfs/dbraw/zinc/65/69/58/1220656958.db2.gz XUUAUNZWKZIKBJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102496489 1220656960 /nfs/dbraw/zinc/65/69/60/1220656960.db2.gz XUUAUNZWKZIKBJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102496489 1220656964 /nfs/dbraw/zinc/65/69/64/1220656964.db2.gz XUUAUNZWKZIKBJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CC(C)n1ncnc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511130 1220670068 /nfs/dbraw/zinc/67/00/68/1220670068.db2.gz KMAHGGFMJLRAEO-HZPDHXFCSA-N 2 1 366.510 0.621 20 0 FCADMP CC(C)n1ncnc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511130 1220670071 /nfs/dbraw/zinc/67/00/71/1220670071.db2.gz KMAHGGFMJLRAEO-HZPDHXFCSA-N 2 1 366.510 0.621 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514244 1220673726 /nfs/dbraw/zinc/67/37/26/1220673726.db2.gz RFVVLUDHHQTQMA-KURKYZTESA-N 2 1 365.518 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514192 1220673996 /nfs/dbraw/zinc/67/39/96/1220673996.db2.gz QCWVDTBACOLMNT-KZNAEPCWSA-N 2 1 365.518 0.962 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102524922 1220680346 /nfs/dbraw/zinc/68/03/46/1220680346.db2.gz DEUIIFNVYDHIIP-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102524922 1220680352 /nfs/dbraw/zinc/68/03/52/1220680352.db2.gz DEUIIFNVYDHIIP-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102524922 1220680356 /nfs/dbraw/zinc/68/03/56/1220680356.db2.gz DEUIIFNVYDHIIP-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524426 1220681199 /nfs/dbraw/zinc/68/11/99/1220681199.db2.gz FCAVXQOZNCKCOV-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524426 1220681202 /nfs/dbraw/zinc/68/12/02/1220681202.db2.gz FCAVXQOZNCKCOV-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524426 1220681204 /nfs/dbraw/zinc/68/12/04/1220681204.db2.gz FCAVXQOZNCKCOV-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525350 1220682003 /nfs/dbraw/zinc/68/20/03/1220682003.db2.gz XTVXGSQTDBOSBA-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102525350 1220682005 /nfs/dbraw/zinc/68/20/05/1220682005.db2.gz XTVXGSQTDBOSBA-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525350 1220682007 /nfs/dbraw/zinc/68/20/07/1220682007.db2.gz XTVXGSQTDBOSBA-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001102579350 1220701490 /nfs/dbraw/zinc/70/14/90/1220701490.db2.gz TYFPJYTVDWDHPG-KBAYOESNSA-N 2 1 366.506 0.909 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001102579350 1220701493 /nfs/dbraw/zinc/70/14/93/1220701493.db2.gz TYFPJYTVDWDHPG-KBAYOESNSA-N 2 1 366.506 0.909 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580997 1220703869 /nfs/dbraw/zinc/70/38/69/1220703869.db2.gz UYQTVLYINZQPQH-IXDOHACOSA-N 2 1 368.522 0.117 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)nn1 ZINC001102580236 1220704174 /nfs/dbraw/zinc/70/41/74/1220704174.db2.gz MCUYOUBWOSTAJO-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)nn1 ZINC001102580236 1220704180 /nfs/dbraw/zinc/70/41/80/1220704180.db2.gz MCUYOUBWOSTAJO-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601053 1220722888 /nfs/dbraw/zinc/72/28/88/1220722888.db2.gz HYTDVGYFHXYOAM-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601053 1220722894 /nfs/dbraw/zinc/72/28/94/1220722894.db2.gz HYTDVGYFHXYOAM-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601053 1220722901 /nfs/dbraw/zinc/72/29/01/1220722901.db2.gz HYTDVGYFHXYOAM-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780515 1220782010 /nfs/dbraw/zinc/78/20/10/1220782010.db2.gz DJUYIOQRZWEZBY-KFWWJZLASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780515 1220782011 /nfs/dbraw/zinc/78/20/11/1220782011.db2.gz DJUYIOQRZWEZBY-KFWWJZLASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780515 1220782014 /nfs/dbraw/zinc/78/20/14/1220782014.db2.gz DJUYIOQRZWEZBY-KFWWJZLASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780515 1220782016 /nfs/dbraw/zinc/78/20/16/1220782016.db2.gz DJUYIOQRZWEZBY-KFWWJZLASA-N 2 1 363.462 0.782 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819425 1220791249 /nfs/dbraw/zinc/79/12/49/1220791249.db2.gz TUWOWRFSCTYYPI-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819425 1220791253 /nfs/dbraw/zinc/79/12/53/1220791253.db2.gz TUWOWRFSCTYYPI-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819425 1220791255 /nfs/dbraw/zinc/79/12/55/1220791255.db2.gz TUWOWRFSCTYYPI-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819425 1220791259 /nfs/dbraw/zinc/79/12/59/1220791259.db2.gz TUWOWRFSCTYYPI-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818676 1220792735 /nfs/dbraw/zinc/79/27/35/1220792735.db2.gz BPGBTGNBKVCECV-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818676 1220792743 /nfs/dbraw/zinc/79/27/43/1220792743.db2.gz BPGBTGNBKVCECV-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818676 1220792749 /nfs/dbraw/zinc/79/27/49/1220792749.db2.gz BPGBTGNBKVCECV-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818676 1220792759 /nfs/dbraw/zinc/79/27/59/1220792759.db2.gz BPGBTGNBKVCECV-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085314 1220831154 /nfs/dbraw/zinc/83/11/54/1220831154.db2.gz PRNPDSYGOTVPAB-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141752 1220840123 /nfs/dbraw/zinc/84/01/23/1220840123.db2.gz SIGURQMSVKUYHL-KZNAEPCWSA-N 2 1 367.534 0.944 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103233997 1220854855 /nfs/dbraw/zinc/85/48/55/1220854855.db2.gz WAVMSPXRLLVRML-GDBMZVCRSA-N 2 1 362.478 0.291 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103233997 1220854857 /nfs/dbraw/zinc/85/48/57/1220854857.db2.gz WAVMSPXRLLVRML-GDBMZVCRSA-N 2 1 362.478 0.291 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396783 1220877311 /nfs/dbraw/zinc/87/73/11/1220877311.db2.gz JIANBMHVWFQGNK-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396908 1220877436 /nfs/dbraw/zinc/87/74/36/1220877436.db2.gz PLFICVJEJPIBOU-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396908 1220877437 /nfs/dbraw/zinc/87/74/37/1220877437.db2.gz PLFICVJEJPIBOU-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001103437137 1220882605 /nfs/dbraw/zinc/88/26/05/1220882605.db2.gz LPZHHYLXYFDSBM-ZIAGYGMSSA-N 2 1 363.462 0.444 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001103437137 1220882610 /nfs/dbraw/zinc/88/26/10/1220882610.db2.gz LPZHHYLXYFDSBM-ZIAGYGMSSA-N 2 1 363.462 0.444 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001103448252 1220884445 /nfs/dbraw/zinc/88/44/45/1220884445.db2.gz CSSUFHUWQJECRL-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103550197 1220899165 /nfs/dbraw/zinc/89/91/65/1220899165.db2.gz DHZKOFZTBZAXFH-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612710 1220913605 /nfs/dbraw/zinc/91/36/05/1220913605.db2.gz QUDBLDOPJABJGN-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612710 1220913607 /nfs/dbraw/zinc/91/36/07/1220913607.db2.gz QUDBLDOPJABJGN-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612710 1220913611 /nfs/dbraw/zinc/91/36/11/1220913611.db2.gz QUDBLDOPJABJGN-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103612627 1220913679 /nfs/dbraw/zinc/91/36/79/1220913679.db2.gz MLRLFBKIVPLIBR-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103612627 1220913681 /nfs/dbraw/zinc/91/36/81/1220913681.db2.gz MLRLFBKIVPLIBR-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103612627 1220913685 /nfs/dbraw/zinc/91/36/85/1220913685.db2.gz MLRLFBKIVPLIBR-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)ncn1 ZINC001103643969 1220925946 /nfs/dbraw/zinc/92/59/46/1220925946.db2.gz ZQWLWYJUBUZDGT-NVXWUHKLSA-N 2 1 363.506 0.937 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643130 1220926559 /nfs/dbraw/zinc/92/65/59/1220926559.db2.gz FADHRRAXCIOYPP-IAGOWNOFSA-N 2 1 370.538 0.411 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001103663519 1220933614 /nfs/dbraw/zinc/93/36/14/1220933614.db2.gz FYCLMDVWYNNZKD-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103663519 1220933616 /nfs/dbraw/zinc/93/36/16/1220933616.db2.gz FYCLMDVWYNNZKD-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103663519 1220933618 /nfs/dbraw/zinc/93/36/18/1220933618.db2.gz FYCLMDVWYNNZKD-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665696 1220933894 /nfs/dbraw/zinc/93/38/94/1220933894.db2.gz QEOUTUCNYIWQCG-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665696 1220933898 /nfs/dbraw/zinc/93/38/98/1220933898.db2.gz QEOUTUCNYIWQCG-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665696 1220933902 /nfs/dbraw/zinc/93/39/02/1220933902.db2.gz QEOUTUCNYIWQCG-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103664405 1220934255 /nfs/dbraw/zinc/93/42/55/1220934255.db2.gz ALNFFDWURJCBBM-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103664405 1220934259 /nfs/dbraw/zinc/93/42/59/1220934259.db2.gz ALNFFDWURJCBBM-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103664405 1220934263 /nfs/dbraw/zinc/93/42/63/1220934263.db2.gz ALNFFDWURJCBBM-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103664405 1220934273 /nfs/dbraw/zinc/93/42/73/1220934273.db2.gz ALNFFDWURJCBBM-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723358 1220952968 /nfs/dbraw/zinc/95/29/68/1220952968.db2.gz GNDVJOZSSLNJNG-IAGOWNOFSA-N 2 1 367.538 0.864 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001103724855 1220953827 /nfs/dbraw/zinc/95/38/27/1220953827.db2.gz WYSWDORRPWXPLA-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001103724855 1220953831 /nfs/dbraw/zinc/95/38/31/1220953831.db2.gz WYSWDORRPWXPLA-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740542 1220958103 /nfs/dbraw/zinc/95/81/03/1220958103.db2.gz LVASKJOHSOBNSR-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740542 1220958107 /nfs/dbraw/zinc/95/81/07/1220958107.db2.gz LVASKJOHSOBNSR-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740542 1220958110 /nfs/dbraw/zinc/95/81/10/1220958110.db2.gz LVASKJOHSOBNSR-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740542 1220958113 /nfs/dbraw/zinc/95/81/13/1220958113.db2.gz LVASKJOHSOBNSR-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740380 1220959061 /nfs/dbraw/zinc/95/90/61/1220959061.db2.gz FQAFTXRRFMKEFY-KURKYZTESA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740380 1220959068 /nfs/dbraw/zinc/95/90/68/1220959068.db2.gz FQAFTXRRFMKEFY-KURKYZTESA-N 2 1 363.506 0.678 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740380 1220959071 /nfs/dbraw/zinc/95/90/71/1220959071.db2.gz FQAFTXRRFMKEFY-KURKYZTESA-N 2 1 363.506 0.678 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740380 1220959075 /nfs/dbraw/zinc/95/90/75/1220959075.db2.gz FQAFTXRRFMKEFY-KURKYZTESA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103755612 1220966287 /nfs/dbraw/zinc/96/62/87/1220966287.db2.gz MMMVWFPYCPQUAT-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103755612 1220966290 /nfs/dbraw/zinc/96/62/90/1220966290.db2.gz MMMVWFPYCPQUAT-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103755612 1220966297 /nfs/dbraw/zinc/96/62/97/1220966297.db2.gz MMMVWFPYCPQUAT-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103755612 1220966303 /nfs/dbraw/zinc/96/63/03/1220966303.db2.gz MMMVWFPYCPQUAT-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001103999485 1220996315 /nfs/dbraw/zinc/99/63/15/1220996315.db2.gz AGFKPCRNFQHHCF-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCc1ccco1 ZINC001111502864 1221025324 /nfs/dbraw/zinc/02/53/24/1221025324.db2.gz YDTDWHNACIOHCW-ATLSCFEFSA-N 2 1 374.441 0.775 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229496964 1226015108 /nfs/dbraw/zinc/01/51/08/1226015108.db2.gz ZOHFHFCNUTWNDG-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111786837 1221108624 /nfs/dbraw/zinc/10/86/24/1221108624.db2.gz MXQFMLGKJXQOKW-NTDBWNAOSA-N 2 1 369.506 0.339 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111786837 1221108626 /nfs/dbraw/zinc/10/86/26/1221108626.db2.gz MXQFMLGKJXQOKW-NTDBWNAOSA-N 2 1 369.506 0.339 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001111786837 1221108629 /nfs/dbraw/zinc/10/86/29/1221108629.db2.gz MXQFMLGKJXQOKW-NTDBWNAOSA-N 2 1 369.506 0.339 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001111786837 1221108633 /nfs/dbraw/zinc/10/86/33/1221108633.db2.gz MXQFMLGKJXQOKW-NTDBWNAOSA-N 2 1 369.506 0.339 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855735 1221137621 /nfs/dbraw/zinc/13/76/21/1221137621.db2.gz KPEJCBKLYZPVMW-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001111853992 1221137665 /nfs/dbraw/zinc/13/76/65/1221137665.db2.gz DXUBUIDALJCKCH-SCTDSRPQSA-N 2 1 363.506 0.557 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855734 1221137972 /nfs/dbraw/zinc/13/79/72/1221137972.db2.gz KPEJCBKLYZPVMW-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001111864373 1221141402 /nfs/dbraw/zinc/14/14/02/1221141402.db2.gz MVTZKJNWYMWWKI-GJYPPUQNSA-N 2 1 366.506 0.156 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861685 1221141410 /nfs/dbraw/zinc/14/14/10/1221141410.db2.gz ZFXXVGDECKUSBC-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861685 1221141413 /nfs/dbraw/zinc/14/14/13/1221141413.db2.gz ZFXXVGDECKUSBC-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000782588193 1221173290 /nfs/dbraw/zinc/17/32/90/1221173290.db2.gz VVZJSSRNCCPBFW-DLBZAZTESA-N 2 1 374.485 0.709 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939659 1221179907 /nfs/dbraw/zinc/17/99/07/1221179907.db2.gz LJJCRYHXLKQBLV-LPHOPBHVSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(N(C)C)no1)C2 ZINC001111950811 1221182076 /nfs/dbraw/zinc/18/20/76/1221182076.db2.gz BLCDFYIHQWPMKB-KSSFIOAISA-N 2 1 364.494 0.948 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NCC)C2 ZINC001111952529 1221183397 /nfs/dbraw/zinc/18/33/97/1221183397.db2.gz LVRFBGWIEPVOGZ-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NCC)C2 ZINC001111952529 1221183399 /nfs/dbraw/zinc/18/33/99/1221183399.db2.gz LVRFBGWIEPVOGZ-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NCC)C2 ZINC001111952529 1221183402 /nfs/dbraw/zinc/18/34/02/1221183402.db2.gz LVRFBGWIEPVOGZ-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NCC)C2 ZINC001111952529 1221183404 /nfs/dbraw/zinc/18/34/04/1221183404.db2.gz LVRFBGWIEPVOGZ-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984707 1221193875 /nfs/dbraw/zinc/19/38/75/1221193875.db2.gz KYAZEGGNTIBMHT-SCTDSRPQSA-N 2 1 369.506 0.077 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984707 1221193879 /nfs/dbraw/zinc/19/38/79/1221193879.db2.gz KYAZEGGNTIBMHT-SCTDSRPQSA-N 2 1 369.506 0.077 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984927 1221194051 /nfs/dbraw/zinc/19/40/51/1221194051.db2.gz VBKANLLUHGSINL-LPHOPBHVSA-N 2 1 365.522 0.761 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984927 1221194055 /nfs/dbraw/zinc/19/40/55/1221194055.db2.gz VBKANLLUHGSINL-LPHOPBHVSA-N 2 1 365.522 0.761 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009920 1221199486 /nfs/dbraw/zinc/19/94/86/1221199486.db2.gz ZZAUMBCWWLBIKS-SCTDSRPQSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009920 1221199488 /nfs/dbraw/zinc/19/94/88/1221199488.db2.gz ZZAUMBCWWLBIKS-SCTDSRPQSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009920 1221199490 /nfs/dbraw/zinc/19/94/90/1221199490.db2.gz ZZAUMBCWWLBIKS-SCTDSRPQSA-N 2 1 371.522 0.321 20 0 FCADMP O=C(Cn1ccnc1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001112021373 1221203362 /nfs/dbraw/zinc/20/33/62/1221203362.db2.gz KACKUNKSXMWVOU-LPHOPBHVSA-N 2 1 359.474 0.770 20 0 FCADMP O=C(Cn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001112021373 1221203365 /nfs/dbraw/zinc/20/33/65/1221203365.db2.gz KACKUNKSXMWVOU-LPHOPBHVSA-N 2 1 359.474 0.770 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001112401425 1221252731 /nfs/dbraw/zinc/25/27/31/1221252731.db2.gz CTKKMOPKSSLCBF-LPHOPBHVSA-N 2 1 360.506 0.981 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001112439328 1221259308 /nfs/dbraw/zinc/25/93/08/1221259308.db2.gz UHMDPMTXJMNNAI-KSSFIOAISA-N 2 1 363.510 0.659 20 0 FCADMP O=C1N[C@H]2CC[NH+](C/C=C\C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179338 1221304260 /nfs/dbraw/zinc/30/42/60/1221304260.db2.gz IMCFPHCXMLWFJP-SBWHVVLFSA-N 2 1 364.446 0.403 20 0 FCADMP CN(C(=O)C[NH2+]C(C)(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001116004045 1221329512 /nfs/dbraw/zinc/32/95/12/1221329512.db2.gz YHCTYRPLRNJVGI-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)OCC1=O ZINC001277444032 1226050533 /nfs/dbraw/zinc/05/05/33/1226050533.db2.gz YQZHSYHAHBLVJF-LJQANCHMSA-N 2 1 360.458 0.150 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC001117985821 1221677421 /nfs/dbraw/zinc/67/74/21/1221677421.db2.gz XIIULBDPOPIKIY-GOSISDBHSA-N 2 1 374.485 0.134 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)CC[NH2+]CC2 ZINC001118086389 1221707417 /nfs/dbraw/zinc/70/74/17/1221707417.db2.gz SJWBXJUGJKLKGQ-IKGGRYGDSA-N 2 1 362.518 0.920 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001119296127 1221898114 /nfs/dbraw/zinc/89/81/14/1221898114.db2.gz MLVDNFOAQBVKBV-UYAOXDASSA-N 2 1 360.502 0.817 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC001119353906 1221904226 /nfs/dbraw/zinc/90/42/26/1221904226.db2.gz UWMACYXFCLCNKU-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP [NH3+]CCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119425371 1221916235 /nfs/dbraw/zinc/91/62/35/1221916235.db2.gz UOOORBUPBILARG-GOSISDBHSA-N 2 1 367.538 0.553 20 0 FCADMP CNC(=O)C[NH+]1CCC(n2nnnc2N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC001120128138 1222025911 /nfs/dbraw/zinc/02/59/11/1222025911.db2.gz WAARFZMFXMWFKL-AWEZNQCLSA-N 2 1 364.498 0.023 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001120487629 1222094004 /nfs/dbraw/zinc/09/40/04/1222094004.db2.gz CIJBFVCAGRGYMD-MRXNPFEDSA-N 2 1 374.485 0.261 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001120555202 1222103642 /nfs/dbraw/zinc/10/36/42/1222103642.db2.gz VHWNOXYUWUFLRK-SCTDSRPQSA-N 2 1 365.522 0.224 20 0 FCADMP NC(=O)c1cccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC001120570292 1222105378 /nfs/dbraw/zinc/10/53/78/1222105378.db2.gz SAYYPHLGVYIQLM-HDICACEKSA-N 2 1 371.485 0.896 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]1 ZINC001120655110 1222112125 /nfs/dbraw/zinc/11/21/25/1222112125.db2.gz STQWRHHCJDLGEL-INIZCTEOSA-N 2 1 374.489 0.655 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C23CC(C2)C[NH2+]3)c1 ZINC001121903717 1222221608 /nfs/dbraw/zinc/22/16/08/1222221608.db2.gz KCXJTBMEWIJTMG-UHFFFAOYSA-N 2 1 372.469 0.716 20 0 FCADMP [NH3+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C12CCC2 ZINC001122340271 1222265479 /nfs/dbraw/zinc/26/54/79/1222265479.db2.gz DCAXJSAXMFRWDL-OAGGEKHMSA-N 2 1 364.490 0.086 20 0 FCADMP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C2CC2)n1 ZINC001122834844 1222300003 /nfs/dbraw/zinc/30/00/03/1222300003.db2.gz CRBCYRXERFIMOB-BPLDGKMQSA-N 2 1 363.462 0.271 20 0 FCADMP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C2CC2)n1 ZINC001122834844 1222300007 /nfs/dbraw/zinc/30/00/07/1222300007.db2.gz CRBCYRXERFIMOB-BPLDGKMQSA-N 2 1 363.462 0.271 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630385 1222345092 /nfs/dbraw/zinc/34/50/92/1222345092.db2.gz ICGFXDWEGZCXEI-BBRMVZONSA-N 2 1 373.457 0.483 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771330 1222523827 /nfs/dbraw/zinc/52/38/27/1222523827.db2.gz MGDGSHIEJCTPCW-FQEVSTJZSA-N 2 1 374.485 0.550 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC000834594720 1222580420 /nfs/dbraw/zinc/58/04/20/1222580420.db2.gz UZHYUVYLYDOPFE-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC000834594720 1222580426 /nfs/dbraw/zinc/58/04/26/1222580426.db2.gz UZHYUVYLYDOPFE-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000834853289 1222593078 /nfs/dbraw/zinc/59/30/78/1222593078.db2.gz GQRLKQJHDSNGNL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCCCC[NH+](C)C2CC2)C[C@@H]1C ZINC000834853289 1222593082 /nfs/dbraw/zinc/59/30/82/1222593082.db2.gz GQRLKQJHDSNGNL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCCCC[NH+](C)C2CC2)C[C@@H]1C ZINC000834853289 1222593084 /nfs/dbraw/zinc/59/30/84/1222593084.db2.gz GQRLKQJHDSNGNL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@@H]1C ZINC000834853289 1222593088 /nfs/dbraw/zinc/59/30/88/1222593088.db2.gz GQRLKQJHDSNGNL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000834853289 1222593091 /nfs/dbraw/zinc/59/30/91/1222593091.db2.gz GQRLKQJHDSNGNL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP Cc1nc(N)ccc1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001232338983 1226147642 /nfs/dbraw/zinc/14/76/42/1226147642.db2.gz NAJBKUDWBKLKFH-IAGOWNOFSA-N 2 1 361.490 0.583 20 0 FCADMP Cc1nc(N)ccc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001232338983 1226147648 /nfs/dbraw/zinc/14/76/48/1226147648.db2.gz NAJBKUDWBKLKFH-IAGOWNOFSA-N 2 1 361.490 0.583 20 0 FCADMP Cc1nc(N)ccc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001232338983 1226147651 /nfs/dbraw/zinc/14/76/51/1226147651.db2.gz NAJBKUDWBKLKFH-IAGOWNOFSA-N 2 1 361.490 0.583 20 0 FCADMP COCCN1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)nc3)C[C@@H]2C1=O ZINC001232366621 1226148807 /nfs/dbraw/zinc/14/88/07/1226148807.db2.gz YRYTWMXCZHGOHM-ROUUACIJSA-N 2 1 373.501 0.370 20 0 FCADMP CC(CC[NH+]1CCN2C(=O)OC[C@H]2C1)CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000839507682 1222743050 /nfs/dbraw/zinc/74/30/50/1222743050.db2.gz KFTHFFWNCRCUFX-HZPDHXFCSA-N 2 1 366.462 0.676 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841152160 1222809983 /nfs/dbraw/zinc/80/99/83/1222809983.db2.gz FHOFLCHGCZMYKF-UHFFFAOYSA-N 2 1 361.490 0.883 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000841266364 1222817236 /nfs/dbraw/zinc/81/72/36/1222817236.db2.gz XFPQUFNZLHDASZ-QAPCUYQASA-N 2 1 371.485 0.587 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000842034931 1222833431 /nfs/dbraw/zinc/83/34/31/1222833431.db2.gz FDTXUPITUSARSC-INIZCTEOSA-N 2 1 370.457 0.826 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)cn1 ZINC000842160871 1222837904 /nfs/dbraw/zinc/83/79/04/1222837904.db2.gz AWOHIXYAPPMVGV-UHFFFAOYSA-N 2 1 370.457 0.970 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164384 1222838853 /nfs/dbraw/zinc/83/88/53/1222838853.db2.gz JMFSSCCKOVRZPX-DLBZAZTESA-N 2 1 366.506 0.394 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188842 1222839460 /nfs/dbraw/zinc/83/94/60/1222839460.db2.gz LAUWTVVRKHISLW-HXUWFJFHSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(N2CCCC2)[nH+]1 ZINC000842195297 1222840105 /nfs/dbraw/zinc/84/01/05/1222840105.db2.gz LXLBSLAPLDQSGQ-FQEVSTJZSA-N 2 1 371.485 0.961 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccn4ccnc34)CC[C@@H]2C1 ZINC001142952100 1222856001 /nfs/dbraw/zinc/85/60/01/1222856001.db2.gz GCQVLDHVXNXBMZ-SJLPKXTDSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccn4ccnc34)CC[C@@H]2C1 ZINC001142952100 1222856002 /nfs/dbraw/zinc/85/60/02/1222856002.db2.gz GCQVLDHVXNXBMZ-SJLPKXTDSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccn4ccnc34)CC[C@@H]2C1 ZINC001142952100 1222856003 /nfs/dbraw/zinc/85/60/03/1222856003.db2.gz GCQVLDHVXNXBMZ-SJLPKXTDSA-N 2 1 371.485 0.945 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843266872 1222868734 /nfs/dbraw/zinc/86/87/34/1222868734.db2.gz PSAVGXCQRPLVHV-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843266872 1222868735 /nfs/dbraw/zinc/86/87/35/1222868735.db2.gz PSAVGXCQRPLVHV-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347535 1222871813 /nfs/dbraw/zinc/87/18/13/1222871813.db2.gz XARHSBXHHIIISM-KBPBESRZSA-N 2 1 365.478 0.864 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347535 1222871815 /nfs/dbraw/zinc/87/18/15/1222871815.db2.gz XARHSBXHHIIISM-KBPBESRZSA-N 2 1 365.478 0.864 20 0 FCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843354765 1222872634 /nfs/dbraw/zinc/87/26/34/1222872634.db2.gz MRMGHCKPONYITA-CQSZACIVSA-N 2 1 367.494 0.968 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364034 1222873468 /nfs/dbraw/zinc/87/34/68/1222873468.db2.gz LVUJZCUXHHJAKG-UHFFFAOYSA-N 2 1 374.485 0.979 20 0 FCADMP CC[C@@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843377732 1222874575 /nfs/dbraw/zinc/87/45/75/1222874575.db2.gz UJUANZVCNVRNRX-KGLIPLIRSA-N 2 1 365.478 0.722 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138060 1222916943 /nfs/dbraw/zinc/91/69/43/1222916943.db2.gz RWYLYANKKFEOCA-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001151137972 1222917163 /nfs/dbraw/zinc/91/71/63/1222917163.db2.gz PIHCJTPZTYDMHX-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001151137972 1222917169 /nfs/dbraw/zinc/91/71/69/1222917169.db2.gz PIHCJTPZTYDMHX-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]([C@H](C)COC)CC1 ZINC001151175005 1222918817 /nfs/dbraw/zinc/91/88/17/1222918817.db2.gz SXMWWKUVYIZMNE-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]([C@H](C)COC)CC1 ZINC001151175005 1222918823 /nfs/dbraw/zinc/91/88/23/1222918823.db2.gz SXMWWKUVYIZMNE-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[N@H+](CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452215 1222975827 /nfs/dbraw/zinc/97/58/27/1222975827.db2.gz MDZBGLYRGVKDLK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452215 1222975830 /nfs/dbraw/zinc/97/58/30/1222975830.db2.gz MDZBGLYRGVKDLK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452215 1222975836 /nfs/dbraw/zinc/97/58/36/1222975836.db2.gz MDZBGLYRGVKDLK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452215 1222975838 /nfs/dbraw/zinc/97/58/38/1222975838.db2.gz MDZBGLYRGVKDLK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001155232835 1223030600 /nfs/dbraw/zinc/03/06/00/1223030600.db2.gz RDQGALOEYUXSNW-HNNXBMFYSA-N 2 1 364.494 0.772 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH2+]C2CCOCC2)C1 ZINC001155330867 1223033123 /nfs/dbraw/zinc/03/31/23/1223033123.db2.gz DGEHIQOVDQIOBS-LJQANCHMSA-N 2 1 359.470 0.867 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH2+]C2CCOCC2)C1 ZINC001155330867 1223033129 /nfs/dbraw/zinc/03/31/29/1223033129.db2.gz DGEHIQOVDQIOBS-LJQANCHMSA-N 2 1 359.470 0.867 20 0 FCADMP C1[NH2+]CC12CCOC[C@H]2Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001155472355 1223035672 /nfs/dbraw/zinc/03/56/72/1223035672.db2.gz RWRKIIMCNIEUGO-CQSZACIVSA-N 2 1 359.478 0.284 20 0 FCADMP O=c1cc(CNc2nccc(C3CC[NH2+]CC3)n2)nc2n1CCC[NH2+]C2 ZINC001155490439 1223036734 /nfs/dbraw/zinc/03/67/34/1223036734.db2.gz WBJAIHMFBZFKOO-UHFFFAOYSA-N 2 1 355.446 0.606 20 0 FCADMP Nc1cn(C(=O)c2cccc3c[nH+]cn32)ccc1=[NH+]CCN1CCOCC1 ZINC001155787170 1223044697 /nfs/dbraw/zinc/04/46/97/1223044697.db2.gz SDQZFKXAGKLBRL-UHFFFAOYSA-N 2 1 366.425 0.639 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157081646 1223067524 /nfs/dbraw/zinc/06/75/24/1223067524.db2.gz CHGPFUQJFOBAFH-OLZOCXBDSA-N 2 1 368.434 0.449 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)CC[N@@H+]1C ZINC001158379681 1223096173 /nfs/dbraw/zinc/09/61/73/1223096173.db2.gz FJUOZUKTHICFGD-RBSFLKMASA-N 2 1 365.478 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)CC[N@H+]1C ZINC001158379681 1223096176 /nfs/dbraw/zinc/09/61/76/1223096176.db2.gz FJUOZUKTHICFGD-RBSFLKMASA-N 2 1 365.478 0.900 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CNCCC[NH3+])C2 ZINC001158478969 1223099513 /nfs/dbraw/zinc/09/95/13/1223099513.db2.gz HCCJKCDGXDGUCB-HNAYVOBHSA-N 2 1 366.506 0.096 20 0 FCADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569297 1223102372 /nfs/dbraw/zinc/10/23/72/1223102372.db2.gz XRMHLCQLVOKCSI-QRVBRYPASA-N 2 1 354.498 0.918 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H](N4CCOCC4)[C@@H](F)C3)n2)CC1 ZINC001159068383 1223116637 /nfs/dbraw/zinc/11/66/37/1223116637.db2.gz VDEURNMVSKHSQD-JKSUJKDBSA-N 2 1 364.469 0.653 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001159277397 1223122852 /nfs/dbraw/zinc/12/28/52/1223122852.db2.gz SIOXFJRRZZSOPP-SFHVURJKSA-N 2 1 355.442 0.754 20 0 FCADMP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291585 1223123704 /nfs/dbraw/zinc/12/37/04/1223123704.db2.gz QBIMKZWLEWGUGX-HNNXBMFYSA-N 2 1 366.506 0.189 20 0 FCADMP CO[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316876 1223124333 /nfs/dbraw/zinc/12/43/33/1223124333.db2.gz NYRJNTCPCRMTNT-IPMKNSEASA-N 2 1 373.501 0.035 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001159411446 1223126237 /nfs/dbraw/zinc/12/62/37/1223126237.db2.gz CHNGKAAZPOOYLA-ROUUACIJSA-N 2 1 357.502 0.831 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001159472577 1223128005 /nfs/dbraw/zinc/12/80/05/1223128005.db2.gz WHRCQDKOFZNPFL-LFGUQSLTSA-N 2 1 362.518 0.145 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667767 1223132862 /nfs/dbraw/zinc/13/28/62/1223132862.db2.gz UXMGBROWSYVKOL-ROUUACIJSA-N 2 1 356.470 0.883 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@]4(C)CC[NH2+]C4)C3)O2)CC1 ZINC001159756874 1223135783 /nfs/dbraw/zinc/13/57/83/1223135783.db2.gz GKDDKFBVALFWCL-YZGWKJHDSA-N 2 1 364.534 0.774 20 0 FCADMP [NH3+]CCNCC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888697 1223139157 /nfs/dbraw/zinc/13/91/57/1223139157.db2.gz VHFMOEAFGPXSCJ-QGZVFWFLSA-N 2 1 367.444 0.690 20 0 FCADMP O=C([C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157020 1223147587 /nfs/dbraw/zinc/14/75/87/1223147587.db2.gz SRRCNSYKFMAYQZ-FTEYMNFISA-N 2 1 363.502 0.857 20 0 FCADMP [NH3+]C[C@H]1COc2ccccc2N1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160200293 1223149743 /nfs/dbraw/zinc/14/97/43/1223149743.db2.gz MLJJULQJTLSOGX-ZDUSSCGKSA-N 2 1 368.441 0.774 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160233425 1223151370 /nfs/dbraw/zinc/15/13/70/1223151370.db2.gz BZPFOFRTIPJHRF-CVEARBPZSA-N 2 1 358.446 0.129 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@@H]21 ZINC001160422409 1223158748 /nfs/dbraw/zinc/15/87/48/1223158748.db2.gz FQOCRJTXPDMJSR-XXQMMXQMSA-N 2 1 358.486 0.863 20 0 FCADMP CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160478058 1223161689 /nfs/dbraw/zinc/16/16/89/1223161689.db2.gz JFZCOILKCODHPQ-INIZCTEOSA-N 2 1 356.470 0.445 20 0 FCADMP CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160478058 1223161693 /nfs/dbraw/zinc/16/16/93/1223161693.db2.gz JFZCOILKCODHPQ-INIZCTEOSA-N 2 1 356.470 0.445 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CCC([NH3+])CC3)cn21 ZINC001160522534 1223163161 /nfs/dbraw/zinc/16/31/61/1223163161.db2.gz LYMBTSHCWOQKSB-OAHLLOKOSA-N 2 1 357.462 0.211 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CCC([NH3+])CC3)cn21 ZINC001160522534 1223163166 /nfs/dbraw/zinc/16/31/66/1223163166.db2.gz LYMBTSHCWOQKSB-OAHLLOKOSA-N 2 1 357.462 0.211 20 0 FCADMP COC(=O)C1CCN(c2ccnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)n2)CC1 ZINC001160514110 1223163504 /nfs/dbraw/zinc/16/35/04/1223163504.db2.gz UCJOLFQYZXLYKJ-LJQANCHMSA-N 2 1 374.489 0.701 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566599 1223164627 /nfs/dbraw/zinc/16/46/27/1223164627.db2.gz SVKPAERFRJNLKT-UHFFFAOYSA-N 2 1 357.462 0.860 20 0 FCADMP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160708589 1223169246 /nfs/dbraw/zinc/16/92/46/1223169246.db2.gz AAJGKIUGGBUFIR-IBGZPJMESA-N 2 1 370.497 0.366 20 0 FCADMP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160708591 1223169353 /nfs/dbraw/zinc/16/93/53/1223169353.db2.gz AAJGKIUGGBUFIR-LJQANCHMSA-N 2 1 370.497 0.366 20 0 FCADMP O=C(c1cccnc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC001160726129 1223170224 /nfs/dbraw/zinc/17/02/24/1223170224.db2.gz RXJKKKOGCFYYPA-IRXDYDNUSA-N 2 1 359.474 0.792 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)O1 ZINC001160857346 1223178097 /nfs/dbraw/zinc/17/80/97/1223178097.db2.gz FWYUIYBHHOYGFX-CSMYWGQOSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)O1 ZINC001160857346 1223178100 /nfs/dbraw/zinc/17/81/00/1223178100.db2.gz FWYUIYBHHOYGFX-CSMYWGQOSA-N 2 1 371.428 0.813 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001160857048 1223178217 /nfs/dbraw/zinc/17/82/17/1223178217.db2.gz CLYVQCPGLBQYIB-HZSPNIEDSA-N 2 1 367.450 0.125 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001160857048 1223178221 /nfs/dbraw/zinc/17/82/21/1223178221.db2.gz CLYVQCPGLBQYIB-HZSPNIEDSA-N 2 1 367.450 0.125 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccccc2)O1 ZINC001160862280 1223178382 /nfs/dbraw/zinc/17/83/82/1223178382.db2.gz KVEPOTFHUAWSPW-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccccc2)O1 ZINC001160862280 1223178385 /nfs/dbraw/zinc/17/83/85/1223178385.db2.gz KVEPOTFHUAWSPW-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP CC(=O)Nc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001160862357 1223178765 /nfs/dbraw/zinc/17/87/65/1223178765.db2.gz OOGMHVZXDXJDEQ-RDTXWAMCSA-N 2 1 362.474 0.960 20 0 FCADMP CC(=O)Nc1cccc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001160862357 1223178768 /nfs/dbraw/zinc/17/87/68/1223178768.db2.gz OOGMHVZXDXJDEQ-RDTXWAMCSA-N 2 1 362.474 0.960 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCN2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160955976 1223181944 /nfs/dbraw/zinc/18/19/44/1223181944.db2.gz DTPAGQPGHBKHBI-YUELXQCFSA-N 2 1 357.462 0.193 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090938 1223185894 /nfs/dbraw/zinc/18/58/94/1223185894.db2.gz PWFMZHHNMDBONS-HNNXBMFYSA-N 2 1 357.414 0.605 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@@H]1[NH3+] ZINC001161493269 1223202757 /nfs/dbraw/zinc/20/27/57/1223202757.db2.gz IMKMQYRIYZNBPK-RCLSDMTESA-N 3 1 372.513 0.673 20 0 FCADMP O=S1(=O)CCN(c2cc[nH+]c(CNc3cc(C4C[NH2+]C4)ncn3)c2)CC1 ZINC001162070433 1223210588 /nfs/dbraw/zinc/21/05/88/1223210588.db2.gz ZDSKKBCGFSGFKZ-UHFFFAOYSA-N 2 1 374.470 0.405 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](CC(=O)NC)CC2)CC[N@H+]1C ZINC001162275533 1223212816 /nfs/dbraw/zinc/21/28/16/1223212816.db2.gz VZRIBWKFLNRXBV-JKSUJKDBSA-N 2 1 368.522 0.308 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001162729837 1223219151 /nfs/dbraw/zinc/21/91/51/1223219151.db2.gz JPFAPXVUOAMQJG-HNNXBMFYSA-N 2 1 364.494 0.772 20 0 FCADMP CCOC(=O)CC1([NH3+])CCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001163530188 1223232125 /nfs/dbraw/zinc/23/21/25/1223232125.db2.gz APUPNAZGFUDKIC-UHFFFAOYSA-N 3 1 362.478 0.655 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC001164582390 1223240012 /nfs/dbraw/zinc/24/00/12/1223240012.db2.gz KAOBEGXAHVEFLC-SOUVJXGZSA-N 2 1 363.510 0.878 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001164582360 1223240109 /nfs/dbraw/zinc/24/01/09/1223240109.db2.gz JFZKAQJHJJACJD-BZUAXINKSA-N 2 1 360.506 0.982 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001164582810 1223240122 /nfs/dbraw/zinc/24/01/22/1223240122.db2.gz PQERWMJFALKULD-HZSPNIEDSA-N 2 1 367.494 0.176 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC3CC3)CC2)O1 ZINC001165711745 1223254385 /nfs/dbraw/zinc/25/43/85/1223254385.db2.gz VOJBZBTZTKFPPO-GDBMZVCRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC3CC3)CC2)O1 ZINC001165711745 1223254387 /nfs/dbraw/zinc/25/43/87/1223254387.db2.gz VOJBZBTZTKFPPO-GDBMZVCRSA-N 2 1 366.506 0.108 20 0 FCADMP CCCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165727471 1223254632 /nfs/dbraw/zinc/25/46/32/1223254632.db2.gz ANHYNBHBAOHRRX-HZPDHXFCSA-N 2 1 368.522 0.498 20 0 FCADMP CCCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165727471 1223254636 /nfs/dbraw/zinc/25/46/36/1223254636.db2.gz ANHYNBHBAOHRRX-HZPDHXFCSA-N 2 1 368.522 0.498 20 0 FCADMP CC(=O)N1CCC[C@]2(C1)CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CCO2 ZINC001166330388 1223273946 /nfs/dbraw/zinc/27/39/46/1223273946.db2.gz XQHBCAVXEFFQBO-IBGZPJMESA-N 2 1 374.489 0.622 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CC1 ZINC001205144650 1223312194 /nfs/dbraw/zinc/31/21/94/1223312194.db2.gz JNOIHXRZXBYMMY-GUDVDZBRSA-N 2 1 361.486 0.393 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205217135 1223317647 /nfs/dbraw/zinc/31/76/47/1223317647.db2.gz UXQCUXFSHULMIA-QXAKKESOSA-N 2 1 361.486 0.537 20 0 FCADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001205226292 1223317665 /nfs/dbraw/zinc/31/76/65/1223317665.db2.gz ORUKJJNZUVGGGO-BHIYHBOVSA-N 2 1 363.502 0.781 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001205226292 1223317668 /nfs/dbraw/zinc/31/76/68/1223317668.db2.gz ORUKJJNZUVGGGO-BHIYHBOVSA-N 2 1 363.502 0.781 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001205226292 1223317671 /nfs/dbraw/zinc/31/76/71/1223317671.db2.gz ORUKJJNZUVGGGO-BHIYHBOVSA-N 2 1 363.502 0.781 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205217134 1223318084 /nfs/dbraw/zinc/31/80/84/1223318084.db2.gz UXQCUXFSHULMIA-BHIYHBOVSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001205518702 1223330146 /nfs/dbraw/zinc/33/01/46/1223330146.db2.gz IGYWWGXFMUZLFZ-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001205518702 1223330147 /nfs/dbraw/zinc/33/01/47/1223330147.db2.gz IGYWWGXFMUZLFZ-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205686161 1223335262 /nfs/dbraw/zinc/33/52/62/1223335262.db2.gz WTUAPGRODGDXEU-UKPHBRMFSA-N 2 1 362.449 0.407 20 0 FCADMP C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206619489 1223362972 /nfs/dbraw/zinc/36/29/72/1223362972.db2.gz CHMMVLMWSSFWSD-OIISXLGYSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001206619489 1223362975 /nfs/dbraw/zinc/36/29/75/1223362975.db2.gz CHMMVLMWSSFWSD-OIISXLGYSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979220 1223400634 /nfs/dbraw/zinc/40/06/34/1223400634.db2.gz LCRIIPFVELVGCT-ZTFGCOKTSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979220 1223400637 /nfs/dbraw/zinc/40/06/37/1223400637.db2.gz LCRIIPFVELVGCT-ZTFGCOKTSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993370 1223402714 /nfs/dbraw/zinc/40/27/14/1223402714.db2.gz WQDBPBIMBMGXJH-JOCBIADPSA-N 2 1 373.501 0.475 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993370 1223402719 /nfs/dbraw/zinc/40/27/19/1223402719.db2.gz WQDBPBIMBMGXJH-JOCBIADPSA-N 2 1 373.501 0.475 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993370 1223402727 /nfs/dbraw/zinc/40/27/27/1223402727.db2.gz WQDBPBIMBMGXJH-JOCBIADPSA-N 2 1 373.501 0.475 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993370 1223402731 /nfs/dbraw/zinc/40/27/31/1223402731.db2.gz WQDBPBIMBMGXJH-JOCBIADPSA-N 2 1 373.501 0.475 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993370 1223402736 /nfs/dbraw/zinc/40/27/36/1223402736.db2.gz WQDBPBIMBMGXJH-JOCBIADPSA-N 2 1 373.501 0.475 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ncccc3F)CC2)C1=O ZINC001207028878 1223406962 /nfs/dbraw/zinc/40/69/62/1223406962.db2.gz VQCMONKLVIMETL-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ncccc3F)CC2)C1=O ZINC001207028878 1223406966 /nfs/dbraw/zinc/40/69/66/1223406966.db2.gz VQCMONKLVIMETL-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ncccc1F)CC2 ZINC001207028878 1223406968 /nfs/dbraw/zinc/40/69/68/1223406968.db2.gz VQCMONKLVIMETL-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001207395548 1223442102 /nfs/dbraw/zinc/44/21/02/1223442102.db2.gz UINLWBKEFLKMIL-GOSISDBHSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC1 ZINC001207398179 1223443641 /nfs/dbraw/zinc/44/36/41/1223443641.db2.gz ZDJTWVDHTLMIGE-JENIJYKNSA-N 2 1 373.501 0.885 20 0 FCADMP O=C(CC1CC1)NCc1cc(=O)n2c(n1)C[N@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207436414 1223446405 /nfs/dbraw/zinc/44/64/05/1223446405.db2.gz BLFVKWWHIKIJEB-UHFFFAOYSA-N 2 1 373.501 0.865 20 0 FCADMP O=C(NC[C@H]1Cn2ccnc2C[N@@H+](CC2CC[NH2+]CC2)C1)c1ccnnc1 ZINC001207436639 1223446968 /nfs/dbraw/zinc/44/69/68/1223446968.db2.gz GCPQGZMMAJOGMG-MRXNPFEDSA-N 2 1 369.473 0.535 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567966 1223457773 /nfs/dbraw/zinc/45/77/73/1223457773.db2.gz INDZDEKSQKOSGM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567966 1223457778 /nfs/dbraw/zinc/45/77/78/1223457778.db2.gz INDZDEKSQKOSGM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567966 1223457781 /nfs/dbraw/zinc/45/77/81/1223457781.db2.gz INDZDEKSQKOSGM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567966 1223457782 /nfs/dbraw/zinc/45/77/82/1223457782.db2.gz INDZDEKSQKOSGM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567965 1223458081 /nfs/dbraw/zinc/45/80/81/1223458081.db2.gz INDZDEKSQKOSGM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567965 1223458082 /nfs/dbraw/zinc/45/80/82/1223458082.db2.gz INDZDEKSQKOSGM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567965 1223458083 /nfs/dbraw/zinc/45/80/83/1223458083.db2.gz INDZDEKSQKOSGM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567965 1223458084 /nfs/dbraw/zinc/45/80/84/1223458084.db2.gz INDZDEKSQKOSGM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036484 1223507831 /nfs/dbraw/zinc/50/78/31/1223507831.db2.gz MKOQCOMXBXYBIK-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036484 1223507836 /nfs/dbraw/zinc/50/78/36/1223507836.db2.gz MKOQCOMXBXYBIK-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036484 1223507839 /nfs/dbraw/zinc/50/78/39/1223507839.db2.gz MKOQCOMXBXYBIK-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036536 1223507980 /nfs/dbraw/zinc/50/79/80/1223507980.db2.gz ORXZBIBWJAMFHA-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036536 1223507984 /nfs/dbraw/zinc/50/79/84/1223507984.db2.gz ORXZBIBWJAMFHA-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036536 1223507987 /nfs/dbraw/zinc/50/79/87/1223507987.db2.gz ORXZBIBWJAMFHA-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070591 1223513104 /nfs/dbraw/zinc/51/31/04/1223513104.db2.gz NOYNMIMTVATUHD-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208129480 1223518429 /nfs/dbraw/zinc/51/84/29/1223518429.db2.gz WLWZIPIMEUDKPZ-ZIAGYGMSSA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208129480 1223518432 /nfs/dbraw/zinc/51/84/32/1223518432.db2.gz WLWZIPIMEUDKPZ-ZIAGYGMSSA-N 2 1 367.494 0.143 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](CC1(C[NH+](C)C)CCCC1)C[C@@H]2C(=O)N(C)C ZINC001208188891 1223521514 /nfs/dbraw/zinc/52/15/14/1223521514.db2.gz OXUAFBRKIAKFNH-QGZVFWFLSA-N 2 1 364.534 0.977 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485441 1223551197 /nfs/dbraw/zinc/55/11/97/1223551197.db2.gz KMOSGQMWBVPOPH-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485441 1223551204 /nfs/dbraw/zinc/55/12/04/1223551204.db2.gz KMOSGQMWBVPOPH-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610627 1223562647 /nfs/dbraw/zinc/56/26/47/1223562647.db2.gz RIXDDPQJGOUTNA-HZMVEIRTSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610627 1223562651 /nfs/dbraw/zinc/56/26/51/1223562651.db2.gz RIXDDPQJGOUTNA-HZMVEIRTSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610627 1223562656 /nfs/dbraw/zinc/56/26/56/1223562656.db2.gz RIXDDPQJGOUTNA-HZMVEIRTSA-N 2 1 359.474 0.951 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637491 1223565241 /nfs/dbraw/zinc/56/52/41/1223565241.db2.gz NHRMELZCQOIADG-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637491 1223565244 /nfs/dbraw/zinc/56/52/44/1223565244.db2.gz NHRMELZCQOIADG-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208637491 1223565248 /nfs/dbraw/zinc/56/52/48/1223565248.db2.gz NHRMELZCQOIADG-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208637491 1223565254 /nfs/dbraw/zinc/56/52/54/1223565254.db2.gz NHRMELZCQOIADG-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738626 1223574044 /nfs/dbraw/zinc/57/40/44/1223574044.db2.gz HWIAOYSHJMMNGI-IXDOHACOSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)O1 ZINC000977953578 1248690829 /nfs/dbraw/zinc/69/08/29/1248690829.db2.gz YTIOIPDFNKGQKF-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)O1 ZINC000977953578 1248690838 /nfs/dbraw/zinc/69/08/38/1248690838.db2.gz YTIOIPDFNKGQKF-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP COCCOCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276629942 1223608418 /nfs/dbraw/zinc/60/84/18/1223608418.db2.gz GSFAQRFORCMERU-QZTJIDSGSA-N 2 1 368.522 0.310 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209351331 1223613008 /nfs/dbraw/zinc/61/30/08/1223613008.db2.gz QIRVTCKHQAHXGJ-JJRVBVJISA-N 2 1 365.478 0.178 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478716 1223623816 /nfs/dbraw/zinc/62/38/16/1223623816.db2.gz ZGFBYWASYYYLHJ-SJLPKXTDSA-N 2 1 363.506 0.859 20 0 FCADMP C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478716 1223623818 /nfs/dbraw/zinc/62/38/18/1223623818.db2.gz ZGFBYWASYYYLHJ-SJLPKXTDSA-N 2 1 363.506 0.859 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001209648785 1223637086 /nfs/dbraw/zinc/63/70/86/1223637086.db2.gz GTSRIDSOGMTUAE-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001209648785 1223637089 /nfs/dbraw/zinc/63/70/89/1223637089.db2.gz GTSRIDSOGMTUAE-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837364 1223652822 /nfs/dbraw/zinc/65/28/22/1223652822.db2.gz XCOCGKFBZMPXGS-NVXWUHKLSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837364 1223652828 /nfs/dbraw/zinc/65/28/28/1223652828.db2.gz XCOCGKFBZMPXGS-NVXWUHKLSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C(C)C ZINC001210315935 1223682395 /nfs/dbraw/zinc/68/23/95/1223682395.db2.gz ZWJPAJCGVKVXOV-IAGOWNOFSA-N 2 1 370.538 0.647 20 0 FCADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C(C)C ZINC001210315935 1223682397 /nfs/dbraw/zinc/68/23/97/1223682397.db2.gz ZWJPAJCGVKVXOV-IAGOWNOFSA-N 2 1 370.538 0.647 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330052 1223683320 /nfs/dbraw/zinc/68/33/20/1223683320.db2.gz NHMTUJJCYOGLJO-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330052 1223683322 /nfs/dbraw/zinc/68/33/22/1223683322.db2.gz NHMTUJJCYOGLJO-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497744 1223694905 /nfs/dbraw/zinc/69/49/05/1223694905.db2.gz INRSWXIQYHVULW-HUUCEWRRSA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497744 1223694909 /nfs/dbraw/zinc/69/49/09/1223694909.db2.gz INRSWXIQYHVULW-HUUCEWRRSA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497744 1223694912 /nfs/dbraw/zinc/69/49/12/1223694912.db2.gz INRSWXIQYHVULW-HUUCEWRRSA-N 2 1 367.494 0.097 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343995 1223736082 /nfs/dbraw/zinc/73/60/82/1223736082.db2.gz WTGJPAHPJUNRST-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343995 1223736085 /nfs/dbraw/zinc/73/60/85/1223736085.db2.gz WTGJPAHPJUNRST-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224367 1223772067 /nfs/dbraw/zinc/77/20/67/1223772067.db2.gz ZFZYNTYQMJLQDB-HZPDHXFCSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224367 1223772070 /nfs/dbraw/zinc/77/20/70/1223772070.db2.gz ZFZYNTYQMJLQDB-HZPDHXFCSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378436 1223792508 /nfs/dbraw/zinc/79/25/08/1223792508.db2.gz QJKRVOXBLJBVGJ-NVXWUHKLSA-N 2 1 363.458 0.725 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378436 1223792509 /nfs/dbraw/zinc/79/25/09/1223792509.db2.gz QJKRVOXBLJBVGJ-NVXWUHKLSA-N 2 1 363.458 0.725 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001213555309 1223813050 /nfs/dbraw/zinc/81/30/50/1223813050.db2.gz GYZUHXJKIAAVRL-IAGOWNOFSA-N 2 1 367.494 0.299 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213702146 1223835418 /nfs/dbraw/zinc/83/54/18/1223835418.db2.gz CDHWJPOXPFQRDZ-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213702146 1223835419 /nfs/dbraw/zinc/83/54/19/1223835419.db2.gz CDHWJPOXPFQRDZ-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213702146 1223835421 /nfs/dbraw/zinc/83/54/21/1223835421.db2.gz CDHWJPOXPFQRDZ-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001213702146 1223835423 /nfs/dbraw/zinc/83/54/23/1223835423.db2.gz CDHWJPOXPFQRDZ-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747487 1223843216 /nfs/dbraw/zinc/84/32/16/1223843216.db2.gz JZBFGGXGQVUDFD-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213756332 1223844708 /nfs/dbraw/zinc/84/47/08/1223844708.db2.gz SEBRDPMXJMYJDZ-BRWVUGGUSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759304 1223845248 /nfs/dbraw/zinc/84/52/48/1223845248.db2.gz FXUQVGHZYATDLV-ARFHVFGLSA-N 2 1 370.538 0.837 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213860270 1223863011 /nfs/dbraw/zinc/86/30/11/1223863011.db2.gz YHKYRPQQHIAVHP-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213860270 1223863013 /nfs/dbraw/zinc/86/30/13/1223863013.db2.gz YHKYRPQQHIAVHP-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213860270 1223863015 /nfs/dbraw/zinc/86/30/15/1223863015.db2.gz YHKYRPQQHIAVHP-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871709 1223865503 /nfs/dbraw/zinc/86/55/03/1223865503.db2.gz DEPZDTLPNAQXSS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871709 1223865504 /nfs/dbraw/zinc/86/55/04/1223865504.db2.gz DEPZDTLPNAQXSS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001213931075 1223874829 /nfs/dbraw/zinc/87/48/29/1223874829.db2.gz BWDMYWOUYAHTIT-KURKYZTESA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001213931075 1223874832 /nfs/dbraw/zinc/87/48/32/1223874832.db2.gz BWDMYWOUYAHTIT-KURKYZTESA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213933819 1223875698 /nfs/dbraw/zinc/87/56/98/1223875698.db2.gz FIESZPQMAWUHLY-KURKYZTESA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213933819 1223875699 /nfs/dbraw/zinc/87/56/99/1223875699.db2.gz FIESZPQMAWUHLY-KURKYZTESA-N 2 1 363.506 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214343727 1223902752 /nfs/dbraw/zinc/90/27/52/1223902752.db2.gz DUFMOWFLNQMHLI-OIISXLGYSA-N 2 1 359.474 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001214388656 1223906746 /nfs/dbraw/zinc/90/67/46/1223906746.db2.gz GIUVOQPGGWJKBR-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001214388656 1223906749 /nfs/dbraw/zinc/90/67/49/1223906749.db2.gz GIUVOQPGGWJKBR-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC000978177016 1248716203 /nfs/dbraw/zinc/71/62/03/1248716203.db2.gz JDAUNLWIQACZSC-QQXKLLMISA-N 2 1 365.518 0.410 20 0 FCADMP CC(=O)NC[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](CNC(C)=O)C2)C1 ZINC000181791930 1223978930 /nfs/dbraw/zinc/97/89/30/1223978930.db2.gz HDNDHKISMMJKPF-QZTJIDSGSA-N 2 1 368.522 0.044 20 0 FCADMP CC(=O)NC[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](CNC(C)=O)C2)C1 ZINC000181791930 1223978933 /nfs/dbraw/zinc/97/89/33/1223978933.db2.gz HDNDHKISMMJKPF-QZTJIDSGSA-N 2 1 368.522 0.044 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162817 1223979510 /nfs/dbraw/zinc/97/95/10/1223979510.db2.gz XUMGWXVAHUDKRK-GDBMZVCRSA-N 2 1 361.490 0.723 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc4cc[nH]c4cn3)C2)OCC1=O ZINC001276720932 1223992220 /nfs/dbraw/zinc/99/22/20/1223992220.db2.gz XMZIGLHNNIJJRN-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001215393307 1223996062 /nfs/dbraw/zinc/99/60/62/1223996062.db2.gz XAUBEGIHCDTOEH-OAGGEKHMSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001215393307 1223996063 /nfs/dbraw/zinc/99/60/63/1223996063.db2.gz XAUBEGIHCDTOEH-OAGGEKHMSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001215564032 1224006225 /nfs/dbraw/zinc/00/62/25/1224006225.db2.gz YRNATZFDWCEINX-UKRRQHHQSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001215564032 1224006228 /nfs/dbraw/zinc/00/62/28/1224006228.db2.gz YRNATZFDWCEINX-UKRRQHHQSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001216401876 1224048836 /nfs/dbraw/zinc/04/88/36/1224048836.db2.gz QAOKYGBQBQWMIS-HUUCEWRRSA-N 2 1 366.510 0.548 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001216800662 1224073399 /nfs/dbraw/zinc/07/33/99/1224073399.db2.gz BUKDCYXDLCOBHN-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001216800662 1224073402 /nfs/dbraw/zinc/07/34/02/1224073402.db2.gz BUKDCYXDLCOBHN-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001216801241 1224073423 /nfs/dbraw/zinc/07/34/23/1224073423.db2.gz KLAYSJQCXMHUBO-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001216801241 1224073426 /nfs/dbraw/zinc/07/34/26/1224073426.db2.gz KLAYSJQCXMHUBO-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCNC4=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282674 1248776459 /nfs/dbraw/zinc/77/64/59/1248776459.db2.gz FFBRAKGFHFPBBA-OIUNUZSUSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@@H]4CCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282674 1248776470 /nfs/dbraw/zinc/77/64/70/1248776470.db2.gz FFBRAKGFHFPBBA-OIUNUZSUSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+]([C@@H]4CCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282674 1248776477 /nfs/dbraw/zinc/77/64/77/1248776477.db2.gz FFBRAKGFHFPBBA-OIUNUZSUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC000985438035 1248922367 /nfs/dbraw/zinc/92/23/67/1248922367.db2.gz IGOHGXMRWZMHBG-GDBMZVCRSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC000985438035 1248922375 /nfs/dbraw/zinc/92/23/75/1248922375.db2.gz IGOHGXMRWZMHBG-GDBMZVCRSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC000985438035 1248922381 /nfs/dbraw/zinc/92/23/81/1248922381.db2.gz IGOHGXMRWZMHBG-GDBMZVCRSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC000985441983 1248924605 /nfs/dbraw/zinc/92/46/05/1248924605.db2.gz NVOHTKSDODGNIU-UKRRQHHQSA-N 2 1 364.494 0.899 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC000985441983 1248924613 /nfs/dbraw/zinc/92/46/13/1248924613.db2.gz NVOHTKSDODGNIU-UKRRQHHQSA-N 2 1 364.494 0.899 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3nc(N(C)C)no3)CC2)CC[NH+]1C ZINC000985441983 1248924619 /nfs/dbraw/zinc/92/46/19/1248924619.db2.gz NVOHTKSDODGNIU-UKRRQHHQSA-N 2 1 364.494 0.899 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3nc(N(C)C)no3)CC2)CC[NH+]1C ZINC000985441983 1248924628 /nfs/dbraw/zinc/92/46/28/1248924628.db2.gz NVOHTKSDODGNIU-UKRRQHHQSA-N 2 1 364.494 0.899 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993832939 1250001622 /nfs/dbraw/zinc/00/16/22/1250001622.db2.gz FWDDPTAOFXSWEM-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000993929964 1250081415 /nfs/dbraw/zinc/08/14/15/1250081415.db2.gz JGIXTMDAYWDRRF-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000993929964 1250081428 /nfs/dbraw/zinc/08/14/28/1250081428.db2.gz JGIXTMDAYWDRRF-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000993929964 1250081439 /nfs/dbraw/zinc/08/14/39/1250081439.db2.gz JGIXTMDAYWDRRF-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000993929964 1250081449 /nfs/dbraw/zinc/08/14/49/1250081449.db2.gz JGIXTMDAYWDRRF-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993959490 1250107477 /nfs/dbraw/zinc/10/74/77/1250107477.db2.gz PCOIYTXBZWMNBD-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993959490 1250107483 /nfs/dbraw/zinc/10/74/83/1250107483.db2.gz PCOIYTXBZWMNBD-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000993959490 1250107488 /nfs/dbraw/zinc/10/74/88/1250107488.db2.gz PCOIYTXBZWMNBD-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000993959490 1250107490 /nfs/dbraw/zinc/10/74/90/1250107490.db2.gz PCOIYTXBZWMNBD-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000849056605 1245391083 /nfs/dbraw/zinc/39/10/83/1245391083.db2.gz ZRSBUUNEBXQGEX-AWEZNQCLSA-N 2 1 364.494 0.839 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)cc1 ZINC000911504187 1245501714 /nfs/dbraw/zinc/50/17/14/1245501714.db2.gz VCNWTOYFIYUNRQ-UHFFFAOYSA-N 2 1 360.458 0.337 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)cc1 ZINC000911504187 1245501716 /nfs/dbraw/zinc/50/17/16/1245501716.db2.gz VCNWTOYFIYUNRQ-UHFFFAOYSA-N 2 1 360.458 0.337 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517282 1245504414 /nfs/dbraw/zinc/50/44/14/1245504414.db2.gz RERFJPDKIGDZEA-BMGDILEWSA-N 2 1 358.486 0.918 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@@H]21 ZINC000911517261 1245504798 /nfs/dbraw/zinc/50/47/98/1245504798.db2.gz QZIANCLOUSRWMT-NRSFXHEJSA-N 2 1 356.470 0.670 20 0 FCADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281093 1245705454 /nfs/dbraw/zinc/70/54/54/1245705454.db2.gz DNCOVDAVPQKYMT-ROUUACIJSA-N 2 1 361.486 0.879 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923318387 1245707441 /nfs/dbraw/zinc/70/74/41/1245707441.db2.gz IVJSNRUZGYCYEY-FGTMMUONSA-N 2 1 364.534 0.487 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000938522379 1245871190 /nfs/dbraw/zinc/87/11/90/1245871190.db2.gz GGWFEKYBIFRKOS-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000938522379 1245871193 /nfs/dbraw/zinc/87/11/93/1245871193.db2.gz GGWFEKYBIFRKOS-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000941276400 1246539130 /nfs/dbraw/zinc/53/91/30/1246539130.db2.gz SGPNXVJPIJVWCD-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000941276400 1246539133 /nfs/dbraw/zinc/53/91/33/1246539133.db2.gz SGPNXVJPIJVWCD-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941872249 1246883123 /nfs/dbraw/zinc/88/31/23/1246883123.db2.gz FTHPUSNKBKBHGR-HZPDHXFCSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941872249 1246883138 /nfs/dbraw/zinc/88/31/38/1246883138.db2.gz FTHPUSNKBKBHGR-HZPDHXFCSA-N 2 1 363.462 0.018 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000994216164 1250288392 /nfs/dbraw/zinc/28/83/92/1250288392.db2.gz BDHTVPARLPNDSG-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217519 1250290103 /nfs/dbraw/zinc/29/01/03/1250290103.db2.gz NPBKJVPQSKTNLI-SOLBZPMBSA-N 2 1 364.534 0.881 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943282564 1247282537 /nfs/dbraw/zinc/28/25/37/1247282537.db2.gz OTXQAYRKSSDEIC-BFYDXBDKSA-N 2 1 365.478 0.120 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000943466134 1247331345 /nfs/dbraw/zinc/33/13/45/1247331345.db2.gz QYNCPYSBAVOURE-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631459 1247925979 /nfs/dbraw/zinc/92/59/79/1247925979.db2.gz JDOHNQMHGJCJCT-IBEHDNSVSA-N 2 1 359.474 0.818 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000946776049 1248011968 /nfs/dbraw/zinc/01/19/68/1248011968.db2.gz ZIHHAWAJAILZLK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000946776049 1248011979 /nfs/dbraw/zinc/01/19/79/1248011979.db2.gz ZIHHAWAJAILZLK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000946776049 1248011987 /nfs/dbraw/zinc/01/19/87/1248011987.db2.gz ZIHHAWAJAILZLK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)CC[N@H+]1C ZINC000976594483 1248267839 /nfs/dbraw/zinc/26/78/39/1248267839.db2.gz CTXVRFYMQXRLFV-MTSZKFMLSA-N 2 1 360.502 0.528 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000976866511 1248436909 /nfs/dbraw/zinc/43/69/09/1248436909.db2.gz DDYAVEWZMUQDPV-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000976866511 1248436917 /nfs/dbraw/zinc/43/69/17/1248436917.db2.gz DDYAVEWZMUQDPV-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000976866511 1248436923 /nfs/dbraw/zinc/43/69/23/1248436923.db2.gz DDYAVEWZMUQDPV-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC000977197476 1248566760 /nfs/dbraw/zinc/56/67/60/1248566760.db2.gz SNICIBHLEGKKMT-LAOQMUKWSA-N 2 1 371.485 0.581 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)CC[N@H+]1C ZINC000994336179 1250385000 /nfs/dbraw/zinc/38/50/00/1250385000.db2.gz QDLGMOGBMAOPHM-QBPKDAKJSA-N 2 1 362.518 0.633 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328184296 1265499502 /nfs/dbraw/zinc/49/95/02/1265499502.db2.gz KPZFBKZYWXNFGG-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995824238 1250995364 /nfs/dbraw/zinc/99/53/64/1250995364.db2.gz HKZYUDQTRFKANM-KFWWJZLASA-N 2 1 363.510 0.921 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995824238 1250995375 /nfs/dbraw/zinc/99/53/75/1250995375.db2.gz HKZYUDQTRFKANM-KFWWJZLASA-N 2 1 363.510 0.921 20 0 FCADMP NC(=O)C[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](CC(N)=O)C3)c2)C1 ZINC001328481223 1265559553 /nfs/dbraw/zinc/55/95/53/1265559553.db2.gz BWKJFQGJXRLLFI-HUUCEWRRSA-N 2 1 359.474 0.476 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@H+]1C ZINC000996578602 1251395563 /nfs/dbraw/zinc/39/55/63/1251395563.db2.gz ROVCMCVPWNVWAW-LTIDMASMSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC000996578602 1251395569 /nfs/dbraw/zinc/39/55/69/1251395569.db2.gz ROVCMCVPWNVWAW-LTIDMASMSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCCC3)CC2)O1 ZINC000996713869 1251422125 /nfs/dbraw/zinc/42/21/25/1251422125.db2.gz YMICLCBAFRGJJZ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCCC3)CC2)O1 ZINC000996713869 1251422130 /nfs/dbraw/zinc/42/21/30/1251422130.db2.gz YMICLCBAFRGJJZ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC000996720387 1251425373 /nfs/dbraw/zinc/42/53/73/1251425373.db2.gz SUSDPMAXUZGALE-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC000996720387 1251425379 /nfs/dbraw/zinc/42/53/79/1251425379.db2.gz SUSDPMAXUZGALE-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ncnn3CCF)CC2)CC[N@H+]1C ZINC000997787389 1251706981 /nfs/dbraw/zinc/70/69/81/1251706981.db2.gz YWZQAPDFOISLJY-GDBMZVCRSA-N 2 1 366.485 0.916 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997854953 1251728140 /nfs/dbraw/zinc/72/81/40/1251728140.db2.gz IFSWCWKJPQFGSF-RDTXWAMCSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997854953 1251728148 /nfs/dbraw/zinc/72/81/48/1251728148.db2.gz IFSWCWKJPQFGSF-RDTXWAMCSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)n[nH]1 ZINC001328730705 1265604439 /nfs/dbraw/zinc/60/44/39/1265604439.db2.gz PXQAYXIIOUPCNX-UHFFFAOYSA-N 2 1 358.446 0.813 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC000998471563 1251890916 /nfs/dbraw/zinc/89/09/16/1251890916.db2.gz FBUYRTXPGDMRCB-QZWWFDLISA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000998471563 1251890929 /nfs/dbraw/zinc/89/09/29/1251890929.db2.gz FBUYRTXPGDMRCB-QZWWFDLISA-N 2 1 359.474 0.924 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998658147 1251943485 /nfs/dbraw/zinc/94/34/85/1251943485.db2.gz JWZQOIQZPUJVLK-NCOADZHNSA-N 2 1 360.502 0.672 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999494040 1252126255 /nfs/dbraw/zinc/12/62/55/1252126255.db2.gz HJSCNGIXUVFAFZ-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999494040 1252126260 /nfs/dbraw/zinc/12/62/60/1252126260.db2.gz HJSCNGIXUVFAFZ-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999496709 1252126794 /nfs/dbraw/zinc/12/67/94/1252126794.db2.gz OJKJYFGGUMIMFN-IIDMSEBBSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999496709 1252126811 /nfs/dbraw/zinc/12/68/11/1252126811.db2.gz OJKJYFGGUMIMFN-IIDMSEBBSA-N 2 1 362.474 0.890 20 0 FCADMP COc1nccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495920 1252127400 /nfs/dbraw/zinc/12/74/00/1252127400.db2.gz MOLSTVROYPDWEN-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP COc1nccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495920 1252127401 /nfs/dbraw/zinc/12/74/01/1252127401.db2.gz MOLSTVROYPDWEN-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC001002246892 1252489396 /nfs/dbraw/zinc/48/93/96/1252489396.db2.gz VSLNGJPAZAEGHZ-BMFZPTHFSA-N 2 1 359.474 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC001002246892 1252489399 /nfs/dbraw/zinc/48/93/99/1252489399.db2.gz VSLNGJPAZAEGHZ-BMFZPTHFSA-N 2 1 359.474 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC001002246894 1252489607 /nfs/dbraw/zinc/48/96/07/1252489607.db2.gz VSLNGJPAZAEGHZ-FVQBIDKESA-N 2 1 359.474 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC001002246894 1252489609 /nfs/dbraw/zinc/48/96/09/1252489609.db2.gz VSLNGJPAZAEGHZ-FVQBIDKESA-N 2 1 359.474 0.675 20 0 FCADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001003137310 1252790307 /nfs/dbraw/zinc/79/03/07/1252790307.db2.gz ISZRFZZQCJFFMH-CRAIPNDOSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001003137310 1252790312 /nfs/dbraw/zinc/79/03/12/1252790312.db2.gz ISZRFZZQCJFFMH-CRAIPNDOSA-N 2 1 363.506 0.745 20 0 FCADMP COCC[N@H+](C)CCCn1c(C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001519112316 1265700774 /nfs/dbraw/zinc/70/07/74/1265700774.db2.gz QMVOBQJPHZOAKG-MRXNPFEDSA-N 2 1 352.483 0.076 20 0 FCADMP COCC[N@@H+](C)CCCn1c(C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001519112316 1265700779 /nfs/dbraw/zinc/70/07/79/1265700779.db2.gz QMVOBQJPHZOAKG-MRXNPFEDSA-N 2 1 352.483 0.076 20 0 FCADMP COCC[NH+](C)CCCn1c(C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001519112316 1265700781 /nfs/dbraw/zinc/70/07/81/1265700781.db2.gz QMVOBQJPHZOAKG-MRXNPFEDSA-N 2 1 352.483 0.076 20 0 FCADMP COCC[NH+](C)CCCn1c(C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001519112316 1265700784 /nfs/dbraw/zinc/70/07/84/1265700784.db2.gz QMVOBQJPHZOAKG-MRXNPFEDSA-N 2 1 352.483 0.076 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001004209343 1253245895 /nfs/dbraw/zinc/24/58/95/1253245895.db2.gz DLWMKDCKAIYSMQ-XDNAFOTISA-N 2 1 371.485 0.781 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362847 1265716537 /nfs/dbraw/zinc/71/65/37/1265716537.db2.gz MNTBNEKDKJVJJQ-QFBILLFUSA-N 2 1 360.502 0.674 20 0 FCADMP C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CCC1 ZINC001004396390 1253313113 /nfs/dbraw/zinc/31/31/13/1253313113.db2.gz PPIZDACVXNKEHQ-ZACQAIPSSA-N 2 1 360.502 0.815 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091676 1253943049 /nfs/dbraw/zinc/94/30/49/1253943049.db2.gz NABJRNWVMSMGFB-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091676 1253943062 /nfs/dbraw/zinc/94/30/62/1253943062.db2.gz NABJRNWVMSMGFB-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001033097347 1253945391 /nfs/dbraw/zinc/94/53/91/1253945391.db2.gz XYOLBAOHKHAPNV-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001033097347 1253945397 /nfs/dbraw/zinc/94/53/97/1253945397.db2.gz XYOLBAOHKHAPNV-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033097347 1253945404 /nfs/dbraw/zinc/94/54/04/1253945404.db2.gz XYOLBAOHKHAPNV-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001033097347 1253945414 /nfs/dbraw/zinc/94/54/14/1253945414.db2.gz XYOLBAOHKHAPNV-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001033840036 1253967712 /nfs/dbraw/zinc/96/77/12/1253967712.db2.gz ZYYNRFWMEKUNFC-BZUAXINKSA-N 2 1 364.490 0.398 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001033840036 1253967719 /nfs/dbraw/zinc/96/77/19/1253967719.db2.gz ZYYNRFWMEKUNFC-BZUAXINKSA-N 2 1 364.490 0.398 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001033840036 1253967724 /nfs/dbraw/zinc/96/77/24/1253967724.db2.gz ZYYNRFWMEKUNFC-BZUAXINKSA-N 2 1 364.490 0.398 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001033835000 1253968561 /nfs/dbraw/zinc/96/85/61/1253968561.db2.gz VLUPROMMYPCEGC-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001033835000 1253968569 /nfs/dbraw/zinc/96/85/69/1253968569.db2.gz VLUPROMMYPCEGC-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001033835000 1253968578 /nfs/dbraw/zinc/96/85/78/1253968578.db2.gz VLUPROMMYPCEGC-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001033835000 1253968584 /nfs/dbraw/zinc/96/85/84/1253968584.db2.gz VLUPROMMYPCEGC-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)CC1 ZINC001034209183 1253979676 /nfs/dbraw/zinc/97/96/76/1253979676.db2.gz JDGAYRZPCSFYFF-NUJGCVRESA-N 2 1 366.506 0.189 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)CC1 ZINC001034209183 1253979695 /nfs/dbraw/zinc/97/96/95/1253979695.db2.gz JDGAYRZPCSFYFF-NUJGCVRESA-N 2 1 366.506 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001034218042 1253980931 /nfs/dbraw/zinc/98/09/31/1253980931.db2.gz YGZGZAUDFXQNHM-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034218042 1253980946 /nfs/dbraw/zinc/98/09/46/1253980946.db2.gz YGZGZAUDFXQNHM-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034218042 1253980955 /nfs/dbraw/zinc/98/09/55/1253980955.db2.gz YGZGZAUDFXQNHM-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001034674123 1253999835 /nfs/dbraw/zinc/99/98/35/1253999835.db2.gz DZDFMVPBXMQXEP-IXYNUQLISA-N 2 1 366.462 0.919 20 0 FCADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001034674123 1253999844 /nfs/dbraw/zinc/99/98/44/1253999844.db2.gz DZDFMVPBXMQXEP-IXYNUQLISA-N 2 1 366.462 0.919 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967089 1254090092 /nfs/dbraw/zinc/09/00/92/1254090092.db2.gz PAZDYSSTQIYCQR-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967089 1254090102 /nfs/dbraw/zinc/09/01/02/1254090102.db2.gz PAZDYSSTQIYCQR-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967089 1254090112 /nfs/dbraw/zinc/09/01/12/1254090112.db2.gz PAZDYSSTQIYCQR-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001061737050 1254216044 /nfs/dbraw/zinc/21/60/44/1254216044.db2.gz FDOVCQJBPJPLTE-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001065205302 1254486976 /nfs/dbraw/zinc/48/69/76/1254486976.db2.gz BSHRGFHJQQWIKV-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)CC)CCO2)CC[N@H+]1C ZINC001065613752 1254549005 /nfs/dbraw/zinc/54/90/05/1254549005.db2.gz CEGYEORGWCCLIK-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[N@H+](C)CC)CCO2)CC[NH+]1C ZINC001065613752 1254549014 /nfs/dbraw/zinc/54/90/14/1254549014.db2.gz CEGYEORGWCCLIK-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CCO2)CC[NH+]1C ZINC001065613752 1254549021 /nfs/dbraw/zinc/54/90/21/1254549021.db2.gz CEGYEORGWCCLIK-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001077582340 1254732026 /nfs/dbraw/zinc/73/20/26/1254732026.db2.gz GXZWYYNDVCNCFZ-DJIMGWMZSA-N 2 1 365.474 0.933 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001077582340 1254732042 /nfs/dbraw/zinc/73/20/42/1254732042.db2.gz GXZWYYNDVCNCFZ-DJIMGWMZSA-N 2 1 365.474 0.933 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CCC1 ZINC001077582641 1254733121 /nfs/dbraw/zinc/73/31/21/1254733121.db2.gz NNNXXQBOXVJSNM-BRWVUGGUSA-N 2 1 365.474 0.931 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676653 1254858669 /nfs/dbraw/zinc/85/86/69/1254858669.db2.gz DMYNNOSXLBOVEZ-KVSKMBFKSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676653 1254858676 /nfs/dbraw/zinc/85/86/76/1254858676.db2.gz DMYNNOSXLBOVEZ-KVSKMBFKSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676653 1254858683 /nfs/dbraw/zinc/85/86/83/1254858683.db2.gz DMYNNOSXLBOVEZ-KVSKMBFKSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676653 1254858698 /nfs/dbraw/zinc/85/86/98/1254858698.db2.gz DMYNNOSXLBOVEZ-KVSKMBFKSA-N 2 1 360.502 0.898 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@H]1O)C2 ZINC001077682673 1254872766 /nfs/dbraw/zinc/87/27/66/1254872766.db2.gz DYDRFDCQGZTAQU-NUEKZKHPSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@H]1O)C2 ZINC001077682673 1254872775 /nfs/dbraw/zinc/87/27/75/1254872775.db2.gz DYDRFDCQGZTAQU-NUEKZKHPSA-N 2 1 368.428 0.961 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077685185 1254877119 /nfs/dbraw/zinc/87/71/19/1254877119.db2.gz CNBOJKLSGRFKOE-QXAKKESOSA-N 2 1 361.486 0.602 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077838532 1255038322 /nfs/dbraw/zinc/03/83/22/1255038322.db2.gz AOEKSHRYTNDPLH-QXAKKESOSA-N 2 1 361.486 0.950 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978354 1255140823 /nfs/dbraw/zinc/14/08/23/1255140823.db2.gz CMGQISWMDVFRRI-GUDVDZBRSA-N 2 1 365.518 0.839 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008659 1255165875 /nfs/dbraw/zinc/16/58/75/1255165875.db2.gz PHUPDAGHVCGEKO-USXIJHARSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008659 1255165880 /nfs/dbraw/zinc/16/58/80/1255165880.db2.gz PHUPDAGHVCGEKO-USXIJHARSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008659 1255165884 /nfs/dbraw/zinc/16/58/84/1255165884.db2.gz PHUPDAGHVCGEKO-USXIJHARSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008659 1255165892 /nfs/dbraw/zinc/16/58/92/1255165892.db2.gz PHUPDAGHVCGEKO-USXIJHARSA-N 2 1 365.449 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012134 1255168759 /nfs/dbraw/zinc/16/87/59/1255168759.db2.gz WRNJKRONTJVDCM-IAGOWNOFSA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012134 1255168768 /nfs/dbraw/zinc/16/87/68/1255168768.db2.gz WRNJKRONTJVDCM-IAGOWNOFSA-N 2 1 363.433 0.462 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001078227139 1255339691 /nfs/dbraw/zinc/33/96/91/1255339691.db2.gz KXSHQPNZTUVNPK-ATZDWAIDSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001078228197 1255343151 /nfs/dbraw/zinc/34/31/51/1255343151.db2.gz HGWMTZMHSDTWQO-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405592 1255408522 /nfs/dbraw/zinc/40/85/22/1255408522.db2.gz SFNVJDYMDKQODD-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405232 1255408997 /nfs/dbraw/zinc/40/89/97/1255408997.db2.gz IQEWBMGHSQVZEU-KBAYOESNSA-N 2 1 363.506 0.950 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079240763 1255484052 /nfs/dbraw/zinc/48/40/52/1255484052.db2.gz BRWDLKDLACCUIE-OKZBNKHCSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726099 1255586498 /nfs/dbraw/zinc/58/64/98/1255586498.db2.gz BCSLDLWVJYXXMX-RRCSTGOVSA-N 2 1 372.473 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726099 1255586499 /nfs/dbraw/zinc/58/64/99/1255586499.db2.gz BCSLDLWVJYXXMX-RRCSTGOVSA-N 2 1 372.473 0.299 20 0 FCADMP C[C@@H]1C[NH+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726099 1255586504 /nfs/dbraw/zinc/58/65/04/1255586504.db2.gz BCSLDLWVJYXXMX-RRCSTGOVSA-N 2 1 372.473 0.299 20 0 FCADMP C[C@@H]1C[NH+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726099 1255586511 /nfs/dbraw/zinc/58/65/11/1255586511.db2.gz BCSLDLWVJYXXMX-RRCSTGOVSA-N 2 1 372.473 0.299 20 0 FCADMP CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079947047 1255676404 /nfs/dbraw/zinc/67/64/04/1255676404.db2.gz LEAZHJKYNCEMOT-XYPHTWIQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079947047 1255676412 /nfs/dbraw/zinc/67/64/12/1255676412.db2.gz LEAZHJKYNCEMOT-XYPHTWIQSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949309 1255677316 /nfs/dbraw/zinc/67/73/16/1255677316.db2.gz XVPWFSGRJOWMTI-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011565 1255707372 /nfs/dbraw/zinc/70/73/72/1255707372.db2.gz FEZOXGVKRHNXEJ-CXAGYDPISA-N 2 1 355.442 0.925 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011565 1255707379 /nfs/dbraw/zinc/70/73/79/1255707379.db2.gz FEZOXGVKRHNXEJ-CXAGYDPISA-N 2 1 355.442 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161208 1255765506 /nfs/dbraw/zinc/76/55/06/1255765506.db2.gz RFOWJGNULFTKPR-LDBBTLTOSA-N 2 1 359.474 0.183 20 0 FCADMP C[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161208 1255765510 /nfs/dbraw/zinc/76/55/10/1255765510.db2.gz RFOWJGNULFTKPR-LDBBTLTOSA-N 2 1 359.474 0.183 20 0 FCADMP C[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161208 1255765516 /nfs/dbraw/zinc/76/55/16/1255765516.db2.gz RFOWJGNULFTKPR-LDBBTLTOSA-N 2 1 359.474 0.183 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164525 1255767639 /nfs/dbraw/zinc/76/76/39/1255767639.db2.gz FUVPMHJDPYSHOL-LGFHUAIBSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164525 1255767644 /nfs/dbraw/zinc/76/76/44/1255767644.db2.gz FUVPMHJDPYSHOL-LGFHUAIBSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164525 1255767649 /nfs/dbraw/zinc/76/76/49/1255767649.db2.gz FUVPMHJDPYSHOL-LGFHUAIBSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441333 1255889178 /nfs/dbraw/zinc/88/91/78/1255889178.db2.gz JAISCLHMERIYQG-IIDMSEBBSA-N 2 1 366.485 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080441333 1255889183 /nfs/dbraw/zinc/88/91/83/1255889183.db2.gz JAISCLHMERIYQG-IIDMSEBBSA-N 2 1 366.485 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080441333 1255889188 /nfs/dbraw/zinc/88/91/88/1255889188.db2.gz JAISCLHMERIYQG-IIDMSEBBSA-N 2 1 366.485 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001080484224 1255911051 /nfs/dbraw/zinc/91/10/51/1255911051.db2.gz VSRFEYNOZWZSFQ-OQIJWPOYSA-N 2 1 372.513 0.857 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001080484224 1255911056 /nfs/dbraw/zinc/91/10/56/1255911056.db2.gz VSRFEYNOZWZSFQ-OQIJWPOYSA-N 2 1 372.513 0.857 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001080484224 1255911063 /nfs/dbraw/zinc/91/10/63/1255911063.db2.gz VSRFEYNOZWZSFQ-OQIJWPOYSA-N 2 1 372.513 0.857 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001080484224 1255911071 /nfs/dbraw/zinc/91/10/71/1255911071.db2.gz VSRFEYNOZWZSFQ-OQIJWPOYSA-N 2 1 372.513 0.857 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754396 1256018855 /nfs/dbraw/zinc/01/88/55/1256018855.db2.gz KJNMBSOQGGYFLI-CRAIPNDOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754396 1256018863 /nfs/dbraw/zinc/01/88/63/1256018863.db2.gz KJNMBSOQGGYFLI-CRAIPNDOSA-N 2 1 362.518 0.777 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081125548 1256187898 /nfs/dbraw/zinc/18/78/98/1256187898.db2.gz FYAULICUOKJHRE-GVDBMIGSSA-N 2 1 367.453 0.830 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001081226698 1256211779 /nfs/dbraw/zinc/21/17/79/1256211779.db2.gz GCTDHJXNLDGOPJ-CEXWTWQISA-N 2 1 368.485 0.814 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081227253 1256212756 /nfs/dbraw/zinc/21/27/56/1256212756.db2.gz YLLDUZSMGVTTIF-ZWKOTPCHSA-N 2 1 368.485 0.995 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670086 1256328431 /nfs/dbraw/zinc/32/84/31/1256328431.db2.gz FGXINXLNRAVSGO-KZNAEPCWSA-N 2 1 361.490 0.120 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694312 1256335576 /nfs/dbraw/zinc/33/55/76/1256335576.db2.gz WGKLDJYJWUNPFF-BRSBDYLESA-N 2 1 363.506 0.656 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694312 1256335587 /nfs/dbraw/zinc/33/55/87/1256335587.db2.gz WGKLDJYJWUNPFF-BRSBDYLESA-N 2 1 363.506 0.656 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694312 1256335593 /nfs/dbraw/zinc/33/55/93/1256335593.db2.gz WGKLDJYJWUNPFF-BRSBDYLESA-N 2 1 363.506 0.656 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694049 1256336666 /nfs/dbraw/zinc/33/66/66/1256336666.db2.gz GFKMNCSAFIXMSP-AXYPVASZSA-N 2 1 373.457 0.878 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694049 1256336668 /nfs/dbraw/zinc/33/66/68/1256336668.db2.gz GFKMNCSAFIXMSP-AXYPVASZSA-N 2 1 373.457 0.878 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694049 1256336671 /nfs/dbraw/zinc/33/66/71/1256336671.db2.gz GFKMNCSAFIXMSP-AXYPVASZSA-N 2 1 373.457 0.878 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694049 1256336676 /nfs/dbraw/zinc/33/66/76/1256336676.db2.gz GFKMNCSAFIXMSP-AXYPVASZSA-N 2 1 373.457 0.878 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840565 1256406145 /nfs/dbraw/zinc/40/61/45/1256406145.db2.gz MTKYKXBKWNPINR-IAGOWNOFSA-N 2 1 361.490 0.575 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326495 1256666546 /nfs/dbraw/zinc/66/65/46/1256666546.db2.gz GMTAVONSUSOXGO-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326495 1256666552 /nfs/dbraw/zinc/66/65/52/1256666552.db2.gz GMTAVONSUSOXGO-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326495 1256666555 /nfs/dbraw/zinc/66/65/55/1256666555.db2.gz GMTAVONSUSOXGO-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082448488 1256765620 /nfs/dbraw/zinc/76/56/20/1256765620.db2.gz SAYOYZRCTLQSTN-YUELXQCFSA-N 2 1 358.446 0.053 20 0 FCADMP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515767 1256801745 /nfs/dbraw/zinc/80/17/45/1256801745.db2.gz XYPFYMMOVISTQM-DJIMGWMZSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082520505 1256802623 /nfs/dbraw/zinc/80/26/23/1256802623.db2.gz BEPUSNWBSMHFES-AAVRWANBSA-N 2 1 370.448 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082520505 1256802643 /nfs/dbraw/zinc/80/26/43/1256802643.db2.gz BEPUSNWBSMHFES-AAVRWANBSA-N 2 1 370.448 0.820 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082555819 1256851991 /nfs/dbraw/zinc/85/19/91/1256851991.db2.gz MIUYVCJUPFGFAQ-BRWVUGGUSA-N 2 1 365.522 0.426 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)ccn1 ZINC001082590415 1256904001 /nfs/dbraw/zinc/90/40/01/1256904001.db2.gz VPLPZPXMOXZOTF-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)ccn1 ZINC001082590415 1256904005 /nfs/dbraw/zinc/90/40/05/1256904005.db2.gz VPLPZPXMOXZOTF-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)ccc2c[nH+]cn21 ZINC001082610065 1256920735 /nfs/dbraw/zinc/92/07/35/1256920735.db2.gz ZVFAPOASDHJWLN-BFQNTYOBSA-N 2 1 368.445 0.978 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082612359 1256923113 /nfs/dbraw/zinc/92/31/13/1256923113.db2.gz JQBITEQJFPTKKM-KFWWJZLASA-N 2 1 364.494 0.165 20 0 FCADMP NC(=O)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670815 1266080193 /nfs/dbraw/zinc/08/01/93/1266080193.db2.gz BDEYCLOTVSLDGC-QUCCMNQESA-N 2 1 361.486 0.884 20 0 FCADMP NC(=O)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670815 1266080200 /nfs/dbraw/zinc/08/02/00/1266080200.db2.gz BDEYCLOTVSLDGC-QUCCMNQESA-N 2 1 361.486 0.884 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082702920 1256994695 /nfs/dbraw/zinc/99/46/95/1256994695.db2.gz OPWRRCGZOJSIMA-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082702920 1256994701 /nfs/dbraw/zinc/99/47/01/1256994701.db2.gz OPWRRCGZOJSIMA-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082705540 1256996244 /nfs/dbraw/zinc/99/62/44/1256996244.db2.gz KEHVAAROZVQTNV-LTIDMASMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082705736 1256996858 /nfs/dbraw/zinc/99/68/58/1256996858.db2.gz XXSFWGKJXOIQAI-FXUDXRNXSA-N 2 1 366.485 0.914 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082705736 1256996866 /nfs/dbraw/zinc/99/68/66/1256996866.db2.gz XXSFWGKJXOIQAI-FXUDXRNXSA-N 2 1 366.485 0.914 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001082742170 1257022147 /nfs/dbraw/zinc/02/21/47/1257022147.db2.gz UEQHDAFFZSXYQU-RBSFLKMASA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001082742170 1257022156 /nfs/dbraw/zinc/02/21/56/1257022156.db2.gz UEQHDAFFZSXYQU-RBSFLKMASA-N 2 1 362.478 0.087 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C1)C2 ZINC001082743435 1257024088 /nfs/dbraw/zinc/02/40/88/1257024088.db2.gz ZXIOAWLIAUNTKX-FRFSOERESA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082742769 1257024227 /nfs/dbraw/zinc/02/42/27/1257024227.db2.gz RAOYBIOHSDZNJU-SIIHOXLZSA-N 2 1 366.485 0.964 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)C2 ZINC001082742823 1257024534 /nfs/dbraw/zinc/02/45/34/1257024534.db2.gz SSRQNEFMMRUEKR-UKPHBRMFSA-N 2 1 359.474 0.423 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082744247 1257025245 /nfs/dbraw/zinc/02/52/45/1257025245.db2.gz ZTGSJSXLFFMFQQ-OWCLPIDISA-N 2 1 360.506 0.934 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114089 1266086236 /nfs/dbraw/zinc/08/62/36/1266086236.db2.gz UUPMRWPOFDGIIV-IXDOHACOSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114089 1266086248 /nfs/dbraw/zinc/08/62/48/1266086248.db2.gz UUPMRWPOFDGIIV-IXDOHACOSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082863273 1257113758 /nfs/dbraw/zinc/11/37/58/1257113758.db2.gz XTJDZRXAAZUDIR-ZIAGYGMSSA-N 2 1 361.494 0.460 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1nnnn1C1CC1 ZINC001082863538 1257114015 /nfs/dbraw/zinc/11/40/15/1257114015.db2.gz HXBXBOBUBPVWKV-VNHYZAJKSA-N 2 1 359.478 0.601 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082921059 1257144914 /nfs/dbraw/zinc/14/49/14/1257144914.db2.gz SKGYQSIQLZDLGO-XNRPHZJLSA-N 2 1 359.474 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)C1 ZINC001082933888 1257154386 /nfs/dbraw/zinc/15/43/86/1257154386.db2.gz NODYJWBETVPEQO-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)C1 ZINC001082933888 1257154389 /nfs/dbraw/zinc/15/43/89/1257154389.db2.gz NODYJWBETVPEQO-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)C1 ZINC001082933889 1257154873 /nfs/dbraw/zinc/15/48/73/1257154873.db2.gz NODYJWBETVPEQO-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)C1 ZINC001082933889 1257154877 /nfs/dbraw/zinc/15/48/77/1257154877.db2.gz NODYJWBETVPEQO-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085109 1257286216 /nfs/dbraw/zinc/28/62/16/1257286216.db2.gz ZYBKZDHPZBJDNI-HYVNUMGLSA-N 2 1 365.478 0.005 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)CC[N@H+]1C ZINC001083085936 1257288349 /nfs/dbraw/zinc/28/83/49/1257288349.db2.gz UUVWRDFCOPFPBS-NRSFXHEJSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]32)CC[NH+]1C ZINC001083085936 1257288352 /nfs/dbraw/zinc/28/83/52/1257288352.db2.gz UUVWRDFCOPFPBS-NRSFXHEJSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]32)CC[NH+]1C ZINC001083085936 1257288356 /nfs/dbraw/zinc/28/83/56/1257288356.db2.gz UUVWRDFCOPFPBS-NRSFXHEJSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@@H+](C)CCN1C ZINC001521342328 1266113359 /nfs/dbraw/zinc/11/33/59/1266113359.db2.gz FYYPASUKPTWLAJ-DOTOQJQBSA-N 2 1 351.495 0.987 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O)n1 ZINC001083469313 1257461298 /nfs/dbraw/zinc/46/12/98/1257461298.db2.gz OFCHRENLJDHENB-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2O)n1 ZINC001083469313 1257461305 /nfs/dbraw/zinc/46/13/05/1257461305.db2.gz OFCHRENLJDHENB-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083781265 1257525847 /nfs/dbraw/zinc/52/58/47/1257525847.db2.gz ABRYGGKUZMSBRY-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083781265 1257525852 /nfs/dbraw/zinc/52/58/52/1257525852.db2.gz ABRYGGKUZMSBRY-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083781265 1257525855 /nfs/dbraw/zinc/52/58/55/1257525855.db2.gz ABRYGGKUZMSBRY-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083781265 1257525862 /nfs/dbraw/zinc/52/58/62/1257525862.db2.gz ABRYGGKUZMSBRY-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958049 1257747927 /nfs/dbraw/zinc/74/79/27/1257747927.db2.gz WKLHWEJOZFRGNM-ZACQAIPSSA-N 2 1 363.433 0.116 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958049 1257747930 /nfs/dbraw/zinc/74/79/30/1257747930.db2.gz WKLHWEJOZFRGNM-ZACQAIPSSA-N 2 1 363.433 0.116 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083958633 1257747958 /nfs/dbraw/zinc/74/79/58/1257747958.db2.gz OQDIPZJDBUWJBF-MSOLQXFVSA-N 2 1 359.470 0.590 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083958633 1257747962 /nfs/dbraw/zinc/74/79/62/1257747962.db2.gz OQDIPZJDBUWJBF-MSOLQXFVSA-N 2 1 359.470 0.590 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)C1 ZINC001083962177 1257752773 /nfs/dbraw/zinc/75/27/73/1257752773.db2.gz YZIVKMPZRGNZAF-FLMHQWFMSA-N 2 1 362.474 0.738 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)C1 ZINC001083962177 1257752777 /nfs/dbraw/zinc/75/27/77/1257752777.db2.gz YZIVKMPZRGNZAF-FLMHQWFMSA-N 2 1 362.474 0.738 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084403322 1258081472 /nfs/dbraw/zinc/08/14/72/1258081472.db2.gz PMMWOXPQHXKTIF-KZNAEPCWSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084403322 1258081479 /nfs/dbraw/zinc/08/14/79/1258081479.db2.gz PMMWOXPQHXKTIF-KZNAEPCWSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084403322 1258081485 /nfs/dbraw/zinc/08/14/85/1258081485.db2.gz PMMWOXPQHXKTIF-KZNAEPCWSA-N 2 1 360.506 0.789 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001331164744 1266161543 /nfs/dbraw/zinc/16/15/43/1266161543.db2.gz KBCMOOJRVLGGIK-BQFCYCMXSA-N 2 1 360.502 0.842 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084522000 1258149777 /nfs/dbraw/zinc/14/97/77/1258149777.db2.gz FTVZVOCYUFQMLH-KBRIMQKVSA-N 2 1 353.426 0.759 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084522000 1258149778 /nfs/dbraw/zinc/14/97/78/1258149778.db2.gz FTVZVOCYUFQMLH-KBRIMQKVSA-N 2 1 353.426 0.759 20 0 FCADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3cccnc3)C[C@H]21 ZINC001084532895 1258156491 /nfs/dbraw/zinc/15/64/91/1258156491.db2.gz UIMDFWBGHHXQGK-KJBWJIBOSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3cccnc3)C[C@H]21 ZINC001084532895 1258156496 /nfs/dbraw/zinc/15/64/96/1258156496.db2.gz UIMDFWBGHHXQGK-KJBWJIBOSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@H+](Cc3cccnc3)C[C@H]21 ZINC001084532895 1258156500 /nfs/dbraw/zinc/15/65/00/1258156500.db2.gz UIMDFWBGHHXQGK-KJBWJIBOSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](Cc3cccnc3)C[C@H]21 ZINC001084532895 1258156504 /nfs/dbraw/zinc/15/65/04/1258156504.db2.gz UIMDFWBGHHXQGK-KJBWJIBOSA-N 2 1 368.481 0.978 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001084630898 1258210767 /nfs/dbraw/zinc/21/07/67/1258210767.db2.gz ZCWQUWGTEHIGLR-CGTJXYLNSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661256 1258224906 /nfs/dbraw/zinc/22/49/06/1258224906.db2.gz NCXLAUWDFQLIEI-BZUAXINKSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661256 1258224910 /nfs/dbraw/zinc/22/49/10/1258224910.db2.gz NCXLAUWDFQLIEI-BZUAXINKSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661256 1258224914 /nfs/dbraw/zinc/22/49/14/1258224914.db2.gz NCXLAUWDFQLIEI-BZUAXINKSA-N 2 1 362.474 0.152 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084661256 1258224916 /nfs/dbraw/zinc/22/49/16/1258224916.db2.gz NCXLAUWDFQLIEI-BZUAXINKSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084663580 1258226581 /nfs/dbraw/zinc/22/65/81/1258226581.db2.gz JNKGJILPVBBAMD-GUDVDZBRSA-N 2 1 370.497 0.826 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084663580 1258226583 /nfs/dbraw/zinc/22/65/83/1258226583.db2.gz JNKGJILPVBBAMD-GUDVDZBRSA-N 2 1 370.497 0.826 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766639 1258303795 /nfs/dbraw/zinc/30/37/95/1258303795.db2.gz IBQRXNBQHDKNDA-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766639 1258303803 /nfs/dbraw/zinc/30/38/03/1258303803.db2.gz IBQRXNBQHDKNDA-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910953 1258433467 /nfs/dbraw/zinc/43/34/67/1258433467.db2.gz JOWZKLVSOBHBBY-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910953 1258433470 /nfs/dbraw/zinc/43/34/70/1258433470.db2.gz JOWZKLVSOBHBBY-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910953 1258433473 /nfs/dbraw/zinc/43/34/73/1258433473.db2.gz JOWZKLVSOBHBBY-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910953 1258433475 /nfs/dbraw/zinc/43/34/75/1258433475.db2.gz JOWZKLVSOBHBBY-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972096 1258485049 /nfs/dbraw/zinc/48/50/49/1258485049.db2.gz NVTPEXLVNRBBIJ-ZACQAIPSSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972096 1258485052 /nfs/dbraw/zinc/48/50/52/1258485052.db2.gz NVTPEXLVNRBBIJ-ZACQAIPSSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972096 1258485056 /nfs/dbraw/zinc/48/50/56/1258485056.db2.gz NVTPEXLVNRBBIJ-ZACQAIPSSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)cc1 ZINC001085033472 1258536009 /nfs/dbraw/zinc/53/60/09/1258536009.db2.gz IFVHKGMGPHOVPO-AEFFLSMTSA-N 2 1 358.486 0.812 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)cc1 ZINC001085033472 1258536012 /nfs/dbraw/zinc/53/60/12/1258536012.db2.gz IFVHKGMGPHOVPO-AEFFLSMTSA-N 2 1 358.486 0.812 20 0 FCADMP Cn1cncc1CCC(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001085085724 1258579592 /nfs/dbraw/zinc/57/95/92/1258579592.db2.gz SCUKTKZMSCEWKD-WBVHZDCISA-N 2 1 357.462 0.567 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)cc1=O ZINC001085092687 1258586464 /nfs/dbraw/zinc/58/64/64/1258586464.db2.gz MDQGWNUSJIXNCN-KURKYZTESA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)cc1=O ZINC001085092687 1258586467 /nfs/dbraw/zinc/58/64/67/1258586467.db2.gz MDQGWNUSJIXNCN-KURKYZTESA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)cc1=O ZINC001085092687 1258586472 /nfs/dbraw/zinc/58/64/72/1258586472.db2.gz MDQGWNUSJIXNCN-KURKYZTESA-N 2 1 358.486 0.760 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092976 1258588847 /nfs/dbraw/zinc/58/88/47/1258588847.db2.gz YRXCWINFAJGRRU-NUJGCVRESA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092976 1258588855 /nfs/dbraw/zinc/58/88/55/1258588855.db2.gz YRXCWINFAJGRRU-NUJGCVRESA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092976 1258588860 /nfs/dbraw/zinc/58/88/60/1258588860.db2.gz YRXCWINFAJGRRU-NUJGCVRESA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088154406 1258664606 /nfs/dbraw/zinc/66/46/06/1258664606.db2.gz LKHQBHQPRWBIEG-KURKYZTESA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170453 1258691657 /nfs/dbraw/zinc/69/16/57/1258691657.db2.gz RZFFGZJFLGHMED-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170453 1258691669 /nfs/dbraw/zinc/69/16/69/1258691669.db2.gz RZFFGZJFLGHMED-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170453 1258691674 /nfs/dbraw/zinc/69/16/74/1258691674.db2.gz RZFFGZJFLGHMED-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088172726 1258694126 /nfs/dbraw/zinc/69/41/26/1258694126.db2.gz BXXJUCXCOWRBIW-CVEARBPZSA-N 2 1 369.473 0.833 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088172726 1258694136 /nfs/dbraw/zinc/69/41/36/1258694136.db2.gz BXXJUCXCOWRBIW-CVEARBPZSA-N 2 1 369.473 0.833 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172645 1258694366 /nfs/dbraw/zinc/69/43/66/1258694366.db2.gz XKBKKKFDPRITDE-OAGGEKHMSA-N 2 1 360.502 0.530 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088200178 1258720980 /nfs/dbraw/zinc/72/09/80/1258720980.db2.gz RVQFUOUAQLXTIH-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088200178 1258720986 /nfs/dbraw/zinc/72/09/86/1258720986.db2.gz RVQFUOUAQLXTIH-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088200178 1258720993 /nfs/dbraw/zinc/72/09/93/1258720993.db2.gz RVQFUOUAQLXTIH-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088202370 1258723687 /nfs/dbraw/zinc/72/36/87/1258723687.db2.gz XLHAIVUZDVROOC-IXDOHACOSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088202370 1258723690 /nfs/dbraw/zinc/72/36/90/1258723690.db2.gz XLHAIVUZDVROOC-IXDOHACOSA-N 2 1 369.473 0.751 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208424 1258732889 /nfs/dbraw/zinc/73/28/89/1258732889.db2.gz YXHXLXIGCBDPCC-NJAFHUGGSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208424 1258732893 /nfs/dbraw/zinc/73/28/93/1258732893.db2.gz YXHXLXIGCBDPCC-NJAFHUGGSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208424 1258732900 /nfs/dbraw/zinc/73/29/00/1258732900.db2.gz YXHXLXIGCBDPCC-NJAFHUGGSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208424 1258732904 /nfs/dbraw/zinc/73/29/04/1258732904.db2.gz YXHXLXIGCBDPCC-NJAFHUGGSA-N 2 1 362.474 0.984 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941903 1258765871 /nfs/dbraw/zinc/76/58/71/1258765871.db2.gz MVYKXEVAQMCEAG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941903 1258765878 /nfs/dbraw/zinc/76/58/78/1258765878.db2.gz MVYKXEVAQMCEAG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941903 1258765882 /nfs/dbraw/zinc/76/58/82/1258765882.db2.gz MVYKXEVAQMCEAG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089941903 1258765887 /nfs/dbraw/zinc/76/58/87/1258765887.db2.gz MVYKXEVAQMCEAG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720986 1258819048 /nfs/dbraw/zinc/81/90/48/1258819048.db2.gz BKBVAVNSAYCKMT-IAGOWNOFSA-N 2 1 362.518 0.779 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816996 1258853117 /nfs/dbraw/zinc/85/31/17/1258853117.db2.gz JZCIUHZVOVQIJP-QLFBSQMISA-N 2 1 370.457 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828653 1258858553 /nfs/dbraw/zinc/85/85/53/1258858553.db2.gz PBCAPEOQXQFBCJ-GDBMZVCRSA-N 2 1 355.442 0.864 20 0 FCADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001100690428 1258914205 /nfs/dbraw/zinc/91/42/05/1258914205.db2.gz BYLOZXSYSADGJZ-SYNTWQANSA-N 2 1 358.486 0.562 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665094 1258936153 /nfs/dbraw/zinc/93/61/53/1258936153.db2.gz HSPCUXLGYMBGRU-SOLBZPMBSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)C1 ZINC001106666885 1258936724 /nfs/dbraw/zinc/93/67/24/1258936724.db2.gz YEIWEUPTZQKJKE-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)C2 ZINC001106667237 1258937021 /nfs/dbraw/zinc/93/70/21/1258937021.db2.gz PFCHZPNMYVMJIO-FVQBIDKESA-N 2 1 361.490 0.526 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106765501 1258957013 /nfs/dbraw/zinc/95/70/13/1258957013.db2.gz FUZHKUAQJZHGSI-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767060 1258958627 /nfs/dbraw/zinc/95/86/27/1258958627.db2.gz YQEIRPLPAVITDT-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001107039722 1259022468 /nfs/dbraw/zinc/02/24/68/1259022468.db2.gz VVRRDBSKDRJDDC-QRQLOZEOSA-N 2 1 363.502 0.982 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001107039484 1259022902 /nfs/dbraw/zinc/02/29/02/1259022902.db2.gz UHGLJANSXDAXSJ-HUUCEWRRSA-N 2 1 362.478 0.439 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)no1 ZINC001107040824 1259024166 /nfs/dbraw/zinc/02/41/66/1259024166.db2.gz OUYMIPKKLWTFRW-UKRRQHHQSA-N 2 1 365.478 0.946 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072672 1259028323 /nfs/dbraw/zinc/02/83/23/1259028323.db2.gz ZQCCIOOFFAUBEE-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072672 1259028327 /nfs/dbraw/zinc/02/83/27/1259028327.db2.gz ZQCCIOOFFAUBEE-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436164 1259088071 /nfs/dbraw/zinc/08/80/71/1259088071.db2.gz OVZKDPBFHLLNCS-YQVWRLOYSA-N 2 1 363.506 0.821 20 0 FCADMP COCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436164 1259088075 /nfs/dbraw/zinc/08/80/75/1259088075.db2.gz OVZKDPBFHLLNCS-YQVWRLOYSA-N 2 1 363.506 0.821 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439041 1259088307 /nfs/dbraw/zinc/08/83/07/1259088307.db2.gz PAGKAMNSKRKPRJ-ZHALLVOQSA-N 2 1 360.506 0.979 20 0 FCADMP CN(C)c1noc(C[N@@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107530998 1259108934 /nfs/dbraw/zinc/10/89/34/1259108934.db2.gz XHFUHKJJJLGVAI-RDTXWAMCSA-N 2 1 364.494 0.948 20 0 FCADMP CN(C)c1noc(C[N@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107530998 1259108938 /nfs/dbraw/zinc/10/89/38/1259108938.db2.gz XHFUHKJJJLGVAI-RDTXWAMCSA-N 2 1 364.494 0.948 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632178 1259139442 /nfs/dbraw/zinc/13/94/42/1259139442.db2.gz URHNAXYOFBFBAR-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632178 1259139446 /nfs/dbraw/zinc/13/94/46/1259139446.db2.gz URHNAXYOFBFBAR-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632178 1259139448 /nfs/dbraw/zinc/13/94/48/1259139448.db2.gz URHNAXYOFBFBAR-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632023 1259139486 /nfs/dbraw/zinc/13/94/86/1259139486.db2.gz MJFKROTZCXVCGR-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632023 1259139488 /nfs/dbraw/zinc/13/94/88/1259139488.db2.gz MJFKROTZCXVCGR-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632023 1259139491 /nfs/dbraw/zinc/13/94/91/1259139491.db2.gz MJFKROTZCXVCGR-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646631 1259141734 /nfs/dbraw/zinc/14/17/34/1259141734.db2.gz NGEVRVHAQYEXLA-RDTXWAMCSA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646631 1259141736 /nfs/dbraw/zinc/14/17/36/1259141736.db2.gz NGEVRVHAQYEXLA-RDTXWAMCSA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646631 1259141739 /nfs/dbraw/zinc/14/17/39/1259141739.db2.gz NGEVRVHAQYEXLA-RDTXWAMCSA-N 2 1 367.494 0.143 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403755 1259157547 /nfs/dbraw/zinc/15/75/47/1259157547.db2.gz XDEOWKAXJICHGM-NCOADZHNSA-N 2 1 369.506 0.216 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644063 1259182453 /nfs/dbraw/zinc/18/24/53/1259182453.db2.gz STCXFYQUKLXMCR-SQWLQELKSA-N 2 1 364.465 0.876 20 0 FCADMP COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001127644259 1259183054 /nfs/dbraw/zinc/18/30/54/1259183054.db2.gz XCANKCPYVYQOHE-RHSMWYFYSA-N 2 1 362.474 0.357 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830203 1259243821 /nfs/dbraw/zinc/24/38/21/1259243821.db2.gz OHTBOMKIVIVVAI-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830203 1259243827 /nfs/dbraw/zinc/24/38/27/1259243827.db2.gz OHTBOMKIVIVVAI-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830203 1259243831 /nfs/dbraw/zinc/24/38/31/1259243831.db2.gz OHTBOMKIVIVVAI-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830203 1259243837 /nfs/dbraw/zinc/24/38/37/1259243837.db2.gz OHTBOMKIVIVVAI-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129055078 1259301358 /nfs/dbraw/zinc/30/13/58/1259301358.db2.gz SSLGSOHIFVWNQX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129055078 1259301362 /nfs/dbraw/zinc/30/13/62/1259301362.db2.gz SSLGSOHIFVWNQX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129055078 1259301369 /nfs/dbraw/zinc/30/13/69/1259301369.db2.gz SSLGSOHIFVWNQX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129064410 1259303863 /nfs/dbraw/zinc/30/38/63/1259303863.db2.gz CSVFXELYKHCFBL-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228532 1259351101 /nfs/dbraw/zinc/35/11/01/1259351101.db2.gz WVQSBJKVOCGOAC-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228532 1259351105 /nfs/dbraw/zinc/35/11/05/1259351105.db2.gz WVQSBJKVOCGOAC-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261693 1259357838 /nfs/dbraw/zinc/35/78/38/1259357838.db2.gz GIQDQTRXVNNKGP-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261693 1259357845 /nfs/dbraw/zinc/35/78/45/1259357845.db2.gz GIQDQTRXVNNKGP-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261693 1259357848 /nfs/dbraw/zinc/35/78/48/1259357848.db2.gz GIQDQTRXVNNKGP-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276412 1259362717 /nfs/dbraw/zinc/36/27/17/1259362717.db2.gz JAQVZHYTZBDZBB-IKGGRYGDSA-N 2 1 366.510 0.777 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276412 1259362722 /nfs/dbraw/zinc/36/27/22/1259362722.db2.gz JAQVZHYTZBDZBB-IKGGRYGDSA-N 2 1 366.510 0.777 20 0 FCADMP CN1CCN(C(=[NH2+])Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC001168736570 1259391192 /nfs/dbraw/zinc/39/11/92/1259391192.db2.gz NTZAFIFQJULRFF-UHFFFAOYSA-N 2 1 368.489 0.976 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)c1 ZINC001180610945 1259395790 /nfs/dbraw/zinc/39/57/90/1259395790.db2.gz ORQIAPKDSSBRLE-UHFFFAOYSA-N 2 1 359.474 0.626 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001200536723 1259416660 /nfs/dbraw/zinc/41/66/60/1259416660.db2.gz GCBRJQIVZXJDMN-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001200554375 1259416732 /nfs/dbraw/zinc/41/67/32/1259416732.db2.gz JEGLGTWWJMEEOA-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001200636057 1259419147 /nfs/dbraw/zinc/41/91/47/1259419147.db2.gz FFGGGTRZPDRNFJ-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674683 1259425894 /nfs/dbraw/zinc/42/58/94/1259425894.db2.gz GOHCAUJQNFFMPU-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673410 1259426105 /nfs/dbraw/zinc/42/61/05/1259426105.db2.gz ICRCMNBQFGBSQY-BPQIPLTHSA-N 2 1 358.486 0.801 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673411 1259426646 /nfs/dbraw/zinc/42/66/46/1259426646.db2.gz ICRCMNBQFGBSQY-RYQLBKOJSA-N 2 1 358.486 0.801 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414190 1259495757 /nfs/dbraw/zinc/49/57/57/1259495757.db2.gz GEZUWFYIHFYGLB-IAGOWNOFSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414190 1259495762 /nfs/dbraw/zinc/49/57/62/1259495762.db2.gz GEZUWFYIHFYGLB-IAGOWNOFSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414190 1259495764 /nfs/dbraw/zinc/49/57/64/1259495764.db2.gz GEZUWFYIHFYGLB-IAGOWNOFSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414190 1259495771 /nfs/dbraw/zinc/49/57/71/1259495771.db2.gz GEZUWFYIHFYGLB-IAGOWNOFSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430851 1259501852 /nfs/dbraw/zinc/50/18/52/1259501852.db2.gz ZADMUORJQOGTEF-CGTJXYLNSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430851 1259501859 /nfs/dbraw/zinc/50/18/59/1259501859.db2.gz ZADMUORJQOGTEF-CGTJXYLNSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430851 1259501863 /nfs/dbraw/zinc/50/18/63/1259501863.db2.gz ZADMUORJQOGTEF-CGTJXYLNSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212461427 1259516199 /nfs/dbraw/zinc/51/61/99/1259516199.db2.gz ZMZSEUYMRJQSQK-IAGOWNOFSA-N 2 1 371.522 0.585 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212496114 1259525768 /nfs/dbraw/zinc/52/57/68/1259525768.db2.gz ZMHJLEYKMQWGDH-DJIMGWMZSA-N 2 1 362.430 0.079 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)O1 ZINC001235574673 1259578022 /nfs/dbraw/zinc/57/80/22/1259578022.db2.gz ONGGGJFYPQEZDD-RZLSGREXSA-N 2 1 364.446 0.466 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)O1 ZINC001235574673 1259578031 /nfs/dbraw/zinc/57/80/31/1259578031.db2.gz ONGGGJFYPQEZDD-RZLSGREXSA-N 2 1 364.446 0.466 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@H+](CC[C@H]1C[NH2+]CCO1)C2 ZINC001235653789 1259580953 /nfs/dbraw/zinc/58/09/53/1259580953.db2.gz SRPZUITUDHFJPJ-KRWDZBQOSA-N 3 1 363.506 0.736 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCCN(CC[C@H]1C[NH2+]CCO1)C2 ZINC001235653789 1259580956 /nfs/dbraw/zinc/58/09/56/1259580956.db2.gz SRPZUITUDHFJPJ-KRWDZBQOSA-N 2 1 363.506 0.736 20 0 FCADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236309530 1259588228 /nfs/dbraw/zinc/58/82/28/1259588228.db2.gz MMEUGHIZSMBMNO-IBGZPJMESA-N 3 1 361.534 0.624 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333774 1259609472 /nfs/dbraw/zinc/60/94/72/1259609472.db2.gz NOXDXHOLCALAOH-SJORKVTESA-N 2 1 368.522 0.801 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997789 1259644250 /nfs/dbraw/zinc/64/42/50/1259644250.db2.gz VVAQVCBSAZVJMG-FGTMMUONSA-N 2 1 369.456 0.944 20 0 FCADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC12C[NH2+]C2 ZINC001246060170 1259645052 /nfs/dbraw/zinc/64/50/52/1259645052.db2.gz NDNWKAJTQGWMQV-OKZBNKHCSA-N 3 1 361.486 0.392 20 0 FCADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049349 1259646418 /nfs/dbraw/zinc/64/64/18/1259646418.db2.gz QTKSJMPOHQAAJF-CEXWTWQISA-N 3 1 368.472 0.550 20 0 FCADMP [NH3+]CC1CN([C@@H]2CCCN(C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049349 1259646427 /nfs/dbraw/zinc/64/64/27/1259646427.db2.gz QTKSJMPOHQAAJF-CEXWTWQISA-N 2 1 368.472 0.550 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)CN1 ZINC001246199914 1259650149 /nfs/dbraw/zinc/65/01/49/1259650149.db2.gz YXHBHEBSJCKIMH-MOPGFXCFSA-N 2 1 360.502 0.817 20 0 FCADMP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246156744 1259650512 /nfs/dbraw/zinc/65/05/12/1259650512.db2.gz LLLSOQVGEOYOCT-IAGOWNOFSA-N 2 1 358.486 0.670 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603284 1259655836 /nfs/dbraw/zinc/65/58/36/1259655836.db2.gz NPLRXEMMOCYBRZ-HRCADAONSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603284 1259655846 /nfs/dbraw/zinc/65/58/46/1259655846.db2.gz NPLRXEMMOCYBRZ-HRCADAONSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603287 1259656101 /nfs/dbraw/zinc/65/61/01/1259656101.db2.gz NPLRXEMMOCYBRZ-OWCLPIDISA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603287 1259656114 /nfs/dbraw/zinc/65/61/14/1259656114.db2.gz NPLRXEMMOCYBRZ-OWCLPIDISA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@]12CN([C@H]3C[NH2+][C@@](CC)(C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246609870 1259657176 /nfs/dbraw/zinc/65/71/76/1259657176.db2.gz OZFSRJOICHYMMV-QGWWYQLQSA-N 2 1 367.490 0.535 20 0 FCADMP Cn1ncc2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2COc1cccnc1 ZINC001246696255 1259662983 /nfs/dbraw/zinc/66/29/83/1259662983.db2.gz QYKFFRFVHZHURK-CVEARBPZSA-N 2 1 368.485 0.887 20 0 FCADMP O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709477 1259666646 /nfs/dbraw/zinc/66/66/46/1259666646.db2.gz OQJXROFBDHWOEU-SQGPQFPESA-N 2 1 371.485 0.595 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722619 1259667561 /nfs/dbraw/zinc/66/75/61/1259667561.db2.gz RXMOWLUUJRFBKW-ALKREAHSSA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722619 1259667570 /nfs/dbraw/zinc/66/75/70/1259667570.db2.gz RXMOWLUUJRFBKW-ALKREAHSSA-N 2 1 374.489 0.200 20 0 FCADMP Fc1cccnc1OC[C@]12COC[C@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246720912 1259667846 /nfs/dbraw/zinc/66/78/46/1259667846.db2.gz CQVHOXZHUFXYCC-VKJFTORMSA-N 2 1 362.449 0.642 20 0 FCADMP Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719429 1259669461 /nfs/dbraw/zinc/66/94/61/1259669461.db2.gz GCZDXTIXXPCPSR-BEFAXECRSA-N 2 1 372.517 0.419 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732777 1259672387 /nfs/dbraw/zinc/67/23/87/1259672387.db2.gz HZQJCHZCYPCSMR-OXFYSEKESA-N 2 1 371.485 0.862 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732777 1259672395 /nfs/dbraw/zinc/67/23/95/1259672395.db2.gz HZQJCHZCYPCSMR-OXFYSEKESA-N 2 1 371.485 0.862 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738828 1259675987 /nfs/dbraw/zinc/67/59/87/1259675987.db2.gz OPJDZGKJAZAOLN-WFXMFSGNSA-N 2 1 358.490 0.634 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745172 1259676782 /nfs/dbraw/zinc/67/67/82/1259676782.db2.gz MQYPUTBDAMGKGK-WOCWXWTJSA-N 2 1 372.517 0.976 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744807 1259677411 /nfs/dbraw/zinc/67/74/11/1259677411.db2.gz LTVVCOONFRCBAF-AXVVYFOYSA-N 2 1 372.517 0.976 20 0 FCADMP CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751856 1259680119 /nfs/dbraw/zinc/68/01/19/1259680119.db2.gz CQTICTBFHIEICS-UWVAXJGDSA-N 2 1 372.517 0.630 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752298 1259680171 /nfs/dbraw/zinc/68/01/71/1259680171.db2.gz ZCXZIUDIEKZDQS-AZUAARDMSA-N 2 1 369.513 0.990 20 0 FCADMP CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751853 1259680881 /nfs/dbraw/zinc/68/08/81/1259680881.db2.gz CQTICTBFHIEICS-FUHIMQAGSA-N 2 1 372.517 0.630 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001335484684 1259681577 /nfs/dbraw/zinc/68/15/77/1259681577.db2.gz ZIVYJSCSCFXHFS-GOSISDBHSA-N 2 1 359.518 0.934 20 0 FCADMP O=C(N[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246754954 1259682973 /nfs/dbraw/zinc/68/29/73/1259682973.db2.gz HELSZAKQCCNQKM-OWSLCNJRSA-N 2 1 371.485 0.137 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762724 1259684239 /nfs/dbraw/zinc/68/42/39/1259684239.db2.gz XVSSSFOPIHDRIE-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762724 1259684244 /nfs/dbraw/zinc/68/42/44/1259684244.db2.gz XVSSSFOPIHDRIE-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765217 1259684569 /nfs/dbraw/zinc/68/45/69/1259684569.db2.gz INISOKNCESDHCA-RIUYPTKQSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771672 1259687050 /nfs/dbraw/zinc/68/70/50/1259687050.db2.gz YHYBSERNBFERER-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771672 1259687059 /nfs/dbraw/zinc/68/70/59/1259687059.db2.gz YHYBSERNBFERER-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1=O ZINC001335498712 1259688514 /nfs/dbraw/zinc/68/85/14/1259688514.db2.gz QWPFASLNGDGYOU-SJORKVTESA-N 2 1 353.438 0.628 20 0 FCADMP O=C([C@@H]1C[C@]2(CO1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774332 1259689882 /nfs/dbraw/zinc/68/98/82/1259689882.db2.gz MLFYWZIFRMMWKH-LJDZDVQXSA-N 2 1 363.502 0.999 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCC[C@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856599 1259692311 /nfs/dbraw/zinc/69/23/11/1259692311.db2.gz FHNMVGSNRUQDOG-XBEOPHEFSA-N 2 1 360.462 0.487 20 0 FCADMP COc1ccc(CN2C(=O)N[C@@]3(CC[N@@H+](C4CC[NH2+]CC4)C3)C2=O)cc1 ZINC001246896063 1259695102 /nfs/dbraw/zinc/69/51/02/1259695102.db2.gz SDOJAUXAEIDZAV-LJQANCHMSA-N 2 1 358.442 0.944 20 0 FCADMP COc1ccc(CN2C(=O)N[C@@]3(CC[N@H+](C4CC[NH2+]CC4)C3)C2=O)cc1 ZINC001246896063 1259695106 /nfs/dbraw/zinc/69/51/06/1259695106.db2.gz SDOJAUXAEIDZAV-LJQANCHMSA-N 2 1 358.442 0.944 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005753 1259697831 /nfs/dbraw/zinc/69/78/31/1259697831.db2.gz GGNSKEABLURJGA-ILXRZTDVSA-N 2 1 367.490 0.533 20 0 FCADMP c1cc(-c2noc([C@H]3COC4(C[NH2+]C4)CN3)n2)ccc1C[NH+]1CCOCC1 ZINC001247854568 1259706601 /nfs/dbraw/zinc/70/66/01/1259706601.db2.gz MMQJDLAKQLFEAJ-MRXNPFEDSA-N 2 1 371.441 0.572 20 0 FCADMP c1cc(-c2noc([C@]34C[NH2+]C[C@H]3CCN4)n2)ccc1C[NH+]1CCOCC1 ZINC001247838114 1259707508 /nfs/dbraw/zinc/70/75/08/1259707508.db2.gz SEOKFRIZCXITRV-APWZRJJASA-N 2 1 355.442 0.977 20 0 FCADMP CN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035862 1259734429 /nfs/dbraw/zinc/73/44/29/1259734429.db2.gz PXUANYLLEQNHKX-FQEVSTJZSA-N 2 1 362.518 0.217 20 0 FCADMP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001252022254 1259773737 /nfs/dbraw/zinc/77/37/37/1259773737.db2.gz CSCCUHHIIUJNGK-HCXYKTFWSA-N 2 1 363.506 0.850 20 0 FCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001252022254 1259773743 /nfs/dbraw/zinc/77/37/43/1259773743.db2.gz CSCCUHHIIUJNGK-HCXYKTFWSA-N 2 1 363.506 0.850 20 0 FCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001252022254 1259773746 /nfs/dbraw/zinc/77/37/46/1259773746.db2.gz CSCCUHHIIUJNGK-HCXYKTFWSA-N 2 1 363.506 0.850 20 0 FCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001252022254 1259773752 /nfs/dbraw/zinc/77/37/52/1259773752.db2.gz CSCCUHHIIUJNGK-HCXYKTFWSA-N 2 1 363.506 0.850 20 0 FCADMP CC(C)OC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252676609 1259802934 /nfs/dbraw/zinc/80/29/34/1259802934.db2.gz GNVDRFOPZOBFEO-KRWDZBQOSA-N 2 1 371.522 0.275 20 0 FCADMP CC(C)OC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252676609 1259802941 /nfs/dbraw/zinc/80/29/41/1259802941.db2.gz GNVDRFOPZOBFEO-KRWDZBQOSA-N 2 1 371.522 0.275 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181597 1259825063 /nfs/dbraw/zinc/82/50/63/1259825063.db2.gz FVHUUDBINHIKSU-ROUUACIJSA-N 2 1 365.518 0.816 20 0 FCADMP CC[NH+](CC)C[C@@H](O)CN1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001253195515 1259828658 /nfs/dbraw/zinc/82/86/58/1259828658.db2.gz PVKOIDSDMLABNW-QGZVFWFLSA-N 2 1 362.522 0.902 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186206 1259828913 /nfs/dbraw/zinc/82/89/13/1259828913.db2.gz MGKZTDGTFIXELX-MJGOQNOKSA-N 2 1 361.490 0.998 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186206 1259828922 /nfs/dbraw/zinc/82/89/22/1259828922.db2.gz MGKZTDGTFIXELX-MJGOQNOKSA-N 2 1 361.490 0.998 20 0 FCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874982 1259861292 /nfs/dbraw/zinc/86/12/92/1259861292.db2.gz QRVPERIGMVOYJJ-JGTCGTHISA-N 2 1 363.412 1.000 20 0 FCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874982 1259861300 /nfs/dbraw/zinc/86/13/00/1259861300.db2.gz QRVPERIGMVOYJJ-JGTCGTHISA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874982 1259861308 /nfs/dbraw/zinc/86/13/08/1259861308.db2.gz QRVPERIGMVOYJJ-JGTCGTHISA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874982 1259861316 /nfs/dbraw/zinc/86/13/16/1259861316.db2.gz QRVPERIGMVOYJJ-JGTCGTHISA-N 2 1 363.412 1.000 20 0 FCADMP O=C1CN(C2C[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)CCN1 ZINC001254039024 1259869236 /nfs/dbraw/zinc/86/92/36/1259869236.db2.gz WOMKMLCXFGXJMZ-UHFFFAOYSA-N 2 1 358.486 0.130 20 0 FCADMP CN1CCN(C2C[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)CC1=O ZINC001254038620 1259869471 /nfs/dbraw/zinc/86/94/71/1259869471.db2.gz KVPIJKPUYLDPHO-UHFFFAOYSA-N 2 1 372.513 0.472 20 0 FCADMP NC(=O)[C@H](Cc1cnc[nH]1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254054500 1259870493 /nfs/dbraw/zinc/87/04/93/1259870493.db2.gz SLPYCSGYOCMQTD-KRWDZBQOSA-N 2 1 357.458 0.423 20 0 FCADMP CN(C)Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)no1 ZINC001254422205 1259883953 /nfs/dbraw/zinc/88/39/53/1259883953.db2.gz DXWJYDSPEUSXJC-UHFFFAOYSA-N 2 1 358.446 0.813 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254505744 1259888638 /nfs/dbraw/zinc/88/86/38/1259888638.db2.gz IFYMPCCTILXKFG-RHSMWYFYSA-N 2 1 365.474 0.927 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254505744 1259888644 /nfs/dbraw/zinc/88/86/44/1259888644.db2.gz IFYMPCCTILXKFG-RHSMWYFYSA-N 2 1 365.474 0.927 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@@H]3CCC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522204 1259890216 /nfs/dbraw/zinc/89/02/16/1259890216.db2.gz MPPRKICVUGFVSD-MBOZVWFJSA-N 2 1 372.517 0.978 20 0 FCADMP CNC(=O)[C@]12C[NH+]([C@@H]3CCC[N@H+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522204 1259890219 /nfs/dbraw/zinc/89/02/19/1259890219.db2.gz MPPRKICVUGFVSD-MBOZVWFJSA-N 2 1 372.517 0.978 20 0 FCADMP CNC(=O)[C@]12C[NH+]([C@@H]3CCC[N@@H+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522204 1259890222 /nfs/dbraw/zinc/89/02/22/1259890222.db2.gz MPPRKICVUGFVSD-MBOZVWFJSA-N 2 1 372.517 0.978 20 0 FCADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256494753 1259953901 /nfs/dbraw/zinc/95/39/01/1259953901.db2.gz PGZWQSLRKNYQMY-UPJWGTAASA-N 2 1 373.450 0.265 20 0 FCADMP O=S1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC001336047531 1259956703 /nfs/dbraw/zinc/95/67/03/1259956703.db2.gz FIVNGLPPEJLYQP-LJQANCHMSA-N 2 1 365.543 0.797 20 0 FCADMP CC(C)[NH+]1CCC(N2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001257218102 1260002961 /nfs/dbraw/zinc/00/29/61/1260002961.db2.gz YPPUVZPFJIOFBK-IEBWSBKVSA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001262066220 1260255200 /nfs/dbraw/zinc/25/52/00/1260255200.db2.gz VTNMKCPAWLDLJU-BRWVUGGUSA-N 2 1 367.538 0.008 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262095513 1260260146 /nfs/dbraw/zinc/26/01/46/1260260146.db2.gz VQXWALIIKZNGAJ-OKZBNKHCSA-N 2 1 367.538 0.470 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001337035512 1260291073 /nfs/dbraw/zinc/29/10/73/1260291073.db2.gz JPTFHHXLXVBGJJ-LBPRGKRZSA-N 2 1 357.418 0.332 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1=O ZINC001262572975 1260330058 /nfs/dbraw/zinc/33/00/58/1260330058.db2.gz JPJSYPFMXDPJCY-KRWDZBQOSA-N 2 1 360.458 0.020 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC001262572975 1260330067 /nfs/dbraw/zinc/33/00/67/1260330067.db2.gz JPJSYPFMXDPJCY-KRWDZBQOSA-N 2 1 360.458 0.020 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337440072 1260402222 /nfs/dbraw/zinc/40/22/22/1260402222.db2.gz BRDPRQJWDAXJLW-BRWVUGGUSA-N 2 1 373.501 0.167 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001337494618 1260415319 /nfs/dbraw/zinc/41/53/19/1260415319.db2.gz VOJHRDONSNYLCG-MRXNPFEDSA-N 2 1 373.501 0.976 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC001337862910 1260502640 /nfs/dbraw/zinc/50/26/40/1260502640.db2.gz UHUUCJOUFTVWII-SJORKVTESA-N 2 1 368.522 0.801 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001272825054 1260511915 /nfs/dbraw/zinc/51/19/15/1260511915.db2.gz LIPUUJWUCCQUQI-MHORFTMASA-N 2 1 360.502 0.767 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001272825055 1260512129 /nfs/dbraw/zinc/51/21/29/1260512129.db2.gz LIPUUJWUCCQUQI-XWTMOSNGSA-N 2 1 360.502 0.767 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)CC1 ZINC001272867622 1260520383 /nfs/dbraw/zinc/52/03/83/1260520383.db2.gz JTQISCDTOOAWPO-MOPGFXCFSA-N 2 1 360.506 0.708 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001273272236 1260644528 /nfs/dbraw/zinc/64/45/28/1260644528.db2.gz FSMMCSGFVXBRNI-NVXWUHKLSA-N 2 1 362.518 0.729 20 0 FCADMP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cc(C)nn3C)C[C@@H]12 ZINC001278272041 1260689176 /nfs/dbraw/zinc/68/91/76/1260689176.db2.gz DMHJMYFUUBKVIF-IRXDYDNUSA-N 2 1 361.490 0.387 20 0 FCADMP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001278273525 1260689219 /nfs/dbraw/zinc/68/92/19/1260689219.db2.gz YSMZUXAZZCRRAS-HZPDHXFCSA-N 2 1 360.458 0.446 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001279240349 1260803855 /nfs/dbraw/zinc/80/38/55/1260803855.db2.gz VXIVGIHBYYWCOM-UHFFFAOYSA-N 2 1 372.460 0.776 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2CC[N@@H+](CCN3CCOCC3)[C@@H]2C1 ZINC001279247208 1260811463 /nfs/dbraw/zinc/81/14/63/1260811463.db2.gz RKSCPVHLUCQJAL-GBESFXJTSA-N 2 1 362.518 0.336 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)ccc1O ZINC001279253603 1260812590 /nfs/dbraw/zinc/81/25/90/1260812590.db2.gz IUZCGILGWUSGDB-IYBDPMFKSA-N 2 1 363.458 0.625 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)ccc1O ZINC001279253603 1260812596 /nfs/dbraw/zinc/81/25/96/1260812596.db2.gz IUZCGILGWUSGDB-IYBDPMFKSA-N 2 1 363.458 0.625 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001279257714 1260814313 /nfs/dbraw/zinc/81/43/13/1260814313.db2.gz WOHBGQFCAHAULY-YZVOILCLSA-N 2 1 360.502 0.673 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001279307562 1260832933 /nfs/dbraw/zinc/83/29/33/1260832933.db2.gz AVGXJBRWFDZRJY-UHFFFAOYSA-N 2 1 363.462 0.654 20 0 FCADMP Cc1c(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)cnn1C ZINC001279352381 1260846420 /nfs/dbraw/zinc/84/64/20/1260846420.db2.gz YAQTUVYWNRJGAK-LJQANCHMSA-N 2 1 362.522 0.447 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3OCCN(C(=O)c4ncnn4C)[C@H]3C2)CC1 ZINC001279499418 1260879743 /nfs/dbraw/zinc/87/97/43/1260879743.db2.gz YOROGHYMZBEDGK-HOTGVXAUSA-N 2 1 362.478 0.072 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCN(C(=O)Cn2cccnc2=O)C3)C1 ZINC001279502825 1260880827 /nfs/dbraw/zinc/88/08/27/1260880827.db2.gz XWTNBLAJIHPPMF-INIZCTEOSA-N 2 1 359.474 0.119 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCN(C(=O)Cn2cccnc2=O)C3)C1 ZINC001279502825 1260880831 /nfs/dbraw/zinc/88/08/31/1260880831.db2.gz XWTNBLAJIHPPMF-INIZCTEOSA-N 2 1 359.474 0.119 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001279618721 1260901876 /nfs/dbraw/zinc/90/18/76/1260901876.db2.gz ZLZUKANLZWSXTH-HCXYKTFWSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001279618721 1260901883 /nfs/dbraw/zinc/90/18/83/1260901883.db2.gz ZLZUKANLZWSXTH-HCXYKTFWSA-N 2 1 363.502 0.809 20 0 FCADMP COC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)cn1C ZINC001279710164 1260918491 /nfs/dbraw/zinc/91/84/91/1260918491.db2.gz RTWDYESZSZISHV-GJZGRUSLSA-N 2 1 360.458 0.454 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCOCC3)nc1)C2 ZINC001279714613 1260919429 /nfs/dbraw/zinc/91/94/29/1260919429.db2.gz OAVZYIVWDDTEKS-MOPGFXCFSA-N 2 1 359.518 0.986 20 0 FCADMP Cc1cccc(N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CCN(C)C)C[C@@H]23)[nH+]1 ZINC001279752883 1260928339 /nfs/dbraw/zinc/92/83/39/1260928339.db2.gz TTXRKMVLQVERNQ-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1cccc(N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CCN(C)C)C[C@@H]23)[nH+]1 ZINC001279752883 1260928345 /nfs/dbraw/zinc/92/83/45/1260928345.db2.gz TTXRKMVLQVERNQ-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@H+](Cc4cncnc4)C[C@@H]3O2)CC1 ZINC001279971398 1260975662 /nfs/dbraw/zinc/97/56/62/1260975662.db2.gz BQRJEDJWCJKYMS-NJAFHUGGSA-N 2 1 359.474 0.666 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4cncnc4)C[C@@H]3O2)CC1 ZINC001279971398 1260975665 /nfs/dbraw/zinc/97/56/65/1260975665.db2.gz BQRJEDJWCJKYMS-NJAFHUGGSA-N 2 1 359.474 0.666 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280081401 1260994279 /nfs/dbraw/zinc/99/42/79/1260994279.db2.gz RCAWOKOVFISVPU-ABSDTBQOSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cccnc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280101732 1261003196 /nfs/dbraw/zinc/00/31/96/1261003196.db2.gz LZOFHVIOKOXVPQ-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1ccc[nH+]c1N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280101732 1261003202 /nfs/dbraw/zinc/00/32/02/1261003202.db2.gz LZOFHVIOKOXVPQ-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1ccc[nH+]c1N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280101732 1261003207 /nfs/dbraw/zinc/00/32/07/1261003207.db2.gz LZOFHVIOKOXVPQ-IAGOWNOFSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1nc(CNC(=O)[C@H]2CCC3(C[NH+](CC4CC[NH+](C)CC4)C3)O2)no1 ZINC001280125395 1261010838 /nfs/dbraw/zinc/01/08/38/1261010838.db2.gz IJOCOQQRTBCTIY-OAHLLOKOSA-N 2 1 363.462 0.569 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CC[C@H](C(=O)NC2CC[NH+](C)CC2)O3)CC1 ZINC001280126757 1261011757 /nfs/dbraw/zinc/01/17/57/1261011757.db2.gz ZLEZGRXEUIBSMK-GOSISDBHSA-N 3 1 364.534 0.772 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280211582 1261033637 /nfs/dbraw/zinc/03/36/37/1261033637.db2.gz XGNIWONHWJBUNX-HNAYVOBHSA-N 2 1 358.490 0.817 20 0 FCADMP Cn1ccnc1NC(=O)C1=NO[C@@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@H]12 ZINC001280211522 1261033867 /nfs/dbraw/zinc/03/38/67/1261033867.db2.gz VWBHQNLRVSTZSD-UONOGXRCSA-N 2 1 360.462 0.777 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280211033 1261034532 /nfs/dbraw/zinc/03/45/32/1261034532.db2.gz MAZUSAZQCNSYFO-KURKYZTESA-N 2 1 365.518 0.960 20 0 FCADMP C[NH+]1CCC(C)(C[N@@H+]2CCc3n[nH]c(C(=O)NCC4COC4)c3C2)CC1 ZINC001280211480 1261034565 /nfs/dbraw/zinc/03/45/65/1261034565.db2.gz UWEPAXPEICPZCR-UHFFFAOYSA-N 2 1 361.490 0.876 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CCc3n[nH]c(C(=O)NCC4COC4)c3C2)CC1 ZINC001280211480 1261034569 /nfs/dbraw/zinc/03/45/69/1261034569.db2.gz UWEPAXPEICPZCR-UHFFFAOYSA-N 2 1 361.490 0.876 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001280246482 1261041923 /nfs/dbraw/zinc/04/19/23/1261041923.db2.gz ZWWBRHOLRMIVNJ-PKOBYXMFSA-N 2 1 359.518 0.931 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281890800 1261260853 /nfs/dbraw/zinc/26/08/53/1261260853.db2.gz ORXFBDVVSKWLTH-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281890799 1261261158 /nfs/dbraw/zinc/26/11/58/1261261158.db2.gz ORXFBDVVSKWLTH-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC001290540239 1262468182 /nfs/dbraw/zinc/46/81/82/1262468182.db2.gz SNUSEHYIGCEYAV-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC001290540239 1262468184 /nfs/dbraw/zinc/46/81/84/1262468184.db2.gz SNUSEHYIGCEYAV-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC001290540239 1262468189 /nfs/dbraw/zinc/46/81/89/1262468189.db2.gz SNUSEHYIGCEYAV-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290881079 1262526714 /nfs/dbraw/zinc/52/67/14/1262526714.db2.gz OLGYPJLXXSLPNY-INIZCTEOSA-N 2 1 364.494 0.218 20 0 FCADMP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290881079 1262526718 /nfs/dbraw/zinc/52/67/18/1262526718.db2.gz OLGYPJLXXSLPNY-INIZCTEOSA-N 2 1 364.494 0.218 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301916124 1263026949 /nfs/dbraw/zinc/02/69/49/1263026949.db2.gz VMPGDYPWNAJEDG-JKSUJKDBSA-N 2 1 366.510 0.501 20 0 FCADMP [NH3+][C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001580369315 1278178207 /nfs/dbraw/zinc/17/82/07/1278178207.db2.gz XHRWWAVWJZGGJZ-OALUTQOASA-N 2 1 354.454 0.834 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580376730 1278186795 /nfs/dbraw/zinc/18/67/95/1278186795.db2.gz HHKLHEHIRTUSRD-OCCSQVGLSA-N 2 1 358.450 0.687 20 0 FCADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001312013344 1263271272 /nfs/dbraw/zinc/27/12/72/1263271272.db2.gz RCVRURQXNJWFBA-ZWKOTPCHSA-N 2 1 368.522 0.776 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001316757105 1263461731 /nfs/dbraw/zinc/46/17/31/1263461731.db2.gz OZCOJIYJKINWQT-MSOLQXFVSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001484567977 1263478644 /nfs/dbraw/zinc/47/86/44/1263478644.db2.gz BNJOFLGOFRVVTP-QBPKDAKJSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCN(C(C)C)C1=O ZINC001486428582 1263538916 /nfs/dbraw/zinc/53/89/16/1263538916.db2.gz LTYJZXOETJCDCY-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCN(C(C)C)C1=O ZINC001486428582 1263538929 /nfs/dbraw/zinc/53/89/29/1263538929.db2.gz LTYJZXOETJCDCY-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(C)C)C1=O ZINC001486428582 1263538935 /nfs/dbraw/zinc/53/89/35/1263538935.db2.gz LTYJZXOETJCDCY-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(C(C)C)C1=O ZINC001486428582 1263538944 /nfs/dbraw/zinc/53/89/44/1263538944.db2.gz LTYJZXOETJCDCY-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385625 1278205687 /nfs/dbraw/zinc/20/56/87/1278205687.db2.gz QSJSVFIJSOKBII-MGPQQGTHSA-N 2 1 370.461 0.284 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494058031 1263749748 /nfs/dbraw/zinc/74/97/48/1263749748.db2.gz MXFYGZAUQAUCFD-OXGONZEZSA-N 2 1 356.486 0.770 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC(F)(F)F ZINC001495669522 1263833512 /nfs/dbraw/zinc/83/35/12/1263833512.db2.gz RNXZJNNPRZVJTP-QJPTWQEYSA-N 2 1 352.401 0.347 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC001320952846 1263885852 /nfs/dbraw/zinc/88/58/52/1263885852.db2.gz OMAVHHLGBDPFNJ-KGLIPLIRSA-N 2 1 362.478 0.687 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001497453988 1263931749 /nfs/dbraw/zinc/93/17/49/1263931749.db2.gz FNQORCUIAHWROV-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001497453988 1263931759 /nfs/dbraw/zinc/93/17/59/1263931759.db2.gz FNQORCUIAHWROV-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001497453988 1263931765 /nfs/dbraw/zinc/93/17/65/1263931765.db2.gz FNQORCUIAHWROV-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001497453988 1263931769 /nfs/dbraw/zinc/93/17/69/1263931769.db2.gz FNQORCUIAHWROV-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CC)[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503112647 1264193946 /nfs/dbraw/zinc/19/39/46/1264193946.db2.gz IXLJJEKCBFBZPQ-MAUKXSAKSA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001503112647 1264193953 /nfs/dbraw/zinc/19/39/53/1264193953.db2.gz IXLJJEKCBFBZPQ-MAUKXSAKSA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001503112647 1264193961 /nfs/dbraw/zinc/19/39/61/1264193961.db2.gz IXLJJEKCBFBZPQ-MAUKXSAKSA-N 2 1 366.510 0.412 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580402116 1278230806 /nfs/dbraw/zinc/23/08/06/1278230806.db2.gz GBSAOWDAZFYUJI-UKRRQHHQSA-N 2 1 357.462 0.803 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCC[C@H](C)[NH3+])CC2)oc1C ZINC001333625082 1266655790 /nfs/dbraw/zinc/65/57/90/1266655790.db2.gz IKIMVWYUTRFPBG-LBPRGKRZSA-N 2 1 365.478 0.473 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)n1 ZINC001324598882 1264677549 /nfs/dbraw/zinc/67/75/49/1264677549.db2.gz NFMYXHKHGGFZGZ-UHFFFAOYSA-N 2 1 368.401 0.603 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001512982331 1264793952 /nfs/dbraw/zinc/79/39/52/1264793952.db2.gz XAAJHWVHPUCTCD-BRWVUGGUSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001512982331 1264793959 /nfs/dbraw/zinc/79/39/59/1264793959.db2.gz XAAJHWVHPUCTCD-BRWVUGGUSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001512982331 1264793965 /nfs/dbraw/zinc/79/39/65/1264793965.db2.gz XAAJHWVHPUCTCD-BRWVUGGUSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580408201 1278246596 /nfs/dbraw/zinc/24/65/96/1278246596.db2.gz FHJCQDBXUPIEDA-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001327465934 1265331525 /nfs/dbraw/zinc/33/15/25/1265331525.db2.gz RNIXEJJKFNRMSK-SJORKVTESA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001327720262 1265403699 /nfs/dbraw/zinc/40/36/99/1265403699.db2.gz GQDGHEUFTMDMTE-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001327720262 1265403704 /nfs/dbraw/zinc/40/37/04/1265403704.db2.gz GQDGHEUFTMDMTE-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001333176792 1266547475 /nfs/dbraw/zinc/54/74/75/1266547475.db2.gz BLMVCZAFTZWWMQ-HOTGVXAUSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333403279 1266593345 /nfs/dbraw/zinc/59/33/45/1266593345.db2.gz BRDPRQJWDAXJLW-YESZJQIVSA-N 2 1 373.501 0.167 20 0 FCADMP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@H+](C4CCN(C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575037 1266636368 /nfs/dbraw/zinc/63/63/68/1266636368.db2.gz RBDDXEWBODYEDN-XHSDSOJGSA-N 2 1 350.463 0.597 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333618451 1266652773 /nfs/dbraw/zinc/65/27/73/1266652773.db2.gz NBOOMKVPUDYRRP-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+](C)CCCO)CC1 ZINC001333703735 1266683607 /nfs/dbraw/zinc/68/36/07/1266683607.db2.gz RLDMMQSARBNKAR-MRXNPFEDSA-N 2 1 351.499 0.440 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCC([N@H+](C)CCCO)CC1 ZINC001333703735 1266683618 /nfs/dbraw/zinc/68/36/18/1266683618.db2.gz RLDMMQSARBNKAR-MRXNPFEDSA-N 2 1 351.499 0.440 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCC([N@@H+](C)CCCO)CC1 ZINC001333703735 1266683625 /nfs/dbraw/zinc/68/36/25/1266683625.db2.gz RLDMMQSARBNKAR-MRXNPFEDSA-N 2 1 351.499 0.440 20 0 FCADMP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001526629420 1266824369 /nfs/dbraw/zinc/82/43/69/1266824369.db2.gz OMSQEGSJPSESKZ-IIAWOOMASA-N 2 1 364.494 0.019 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001528095399 1266943391 /nfs/dbraw/zinc/94/33/91/1266943391.db2.gz VWLIGWRKOBBSLT-ATZDWAIDSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001528095399 1266943397 /nfs/dbraw/zinc/94/33/97/1266943397.db2.gz VWLIGWRKOBBSLT-ATZDWAIDSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001528095399 1266943403 /nfs/dbraw/zinc/94/34/03/1266943403.db2.gz VWLIGWRKOBBSLT-ATZDWAIDSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356221 1267495213 /nfs/dbraw/zinc/49/52/13/1267495213.db2.gz GDBNGQLFDPXURX-CWQOZTLDSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356221 1267495214 /nfs/dbraw/zinc/49/52/14/1267495214.db2.gz GDBNGQLFDPXURX-CWQOZTLDSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356221 1267495216 /nfs/dbraw/zinc/49/52/16/1267495216.db2.gz GDBNGQLFDPXURX-CWQOZTLDSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC001542356221 1267495218 /nfs/dbraw/zinc/49/52/18/1267495218.db2.gz GDBNGQLFDPXURX-CWQOZTLDSA-N 2 1 353.507 0.932 20 0 FCADMP Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001543224372 1267532817 /nfs/dbraw/zinc/53/28/17/1267532817.db2.gz AGLGLXLWRGBJTE-MJGOQNOKSA-N 2 1 362.522 0.965 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001549034513 1267792675 /nfs/dbraw/zinc/79/26/75/1267792675.db2.gz NMSZZKQRROGCSQ-YFUQURRKSA-N 2 1 363.506 0.807 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001549034513 1267792683 /nfs/dbraw/zinc/79/26/83/1267792683.db2.gz NMSZZKQRROGCSQ-YFUQURRKSA-N 2 1 363.506 0.807 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549364196 1267910443 /nfs/dbraw/zinc/91/04/43/1267910443.db2.gz IDTILQJGSXMHJG-TWMKSMIVSA-N 2 1 364.490 0.090 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549364196 1267910449 /nfs/dbraw/zinc/91/04/49/1267910449.db2.gz IDTILQJGSXMHJG-TWMKSMIVSA-N 2 1 364.490 0.090 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001549367300 1267911279 /nfs/dbraw/zinc/91/12/79/1267911279.db2.gz YXHMQWRYNAODQG-BRWVUGGUSA-N 2 1 366.506 0.386 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001549367300 1267911287 /nfs/dbraw/zinc/91/12/87/1267911287.db2.gz YXHMQWRYNAODQG-BRWVUGGUSA-N 2 1 366.506 0.386 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001338444779 1267943549 /nfs/dbraw/zinc/94/35/49/1267943549.db2.gz CXMJOLZBQLKVGZ-KSSFIOAISA-N 2 1 351.495 0.418 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC001550478240 1268124704 /nfs/dbraw/zinc/12/47/04/1268124704.db2.gz MIKBSILUEBSNEG-RUENVJTFSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H](O)C2 ZINC001550484895 1268127839 /nfs/dbraw/zinc/12/78/39/1268127839.db2.gz MFHGDEAXETVDQY-YLAKUSLOSA-N 2 1 367.534 0.941 20 0 FCADMP COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338966373 1268132000 /nfs/dbraw/zinc/13/20/00/1268132000.db2.gz WHSOBSDGRIXJTO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338966373 1268132006 /nfs/dbraw/zinc/13/20/06/1268132006.db2.gz WHSOBSDGRIXJTO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338966373 1268132008 /nfs/dbraw/zinc/13/20/08/1268132008.db2.gz WHSOBSDGRIXJTO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001338983806 1268139025 /nfs/dbraw/zinc/13/90/25/1268139025.db2.gz SUNFFHJKDNCDOA-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001338983806 1268139031 /nfs/dbraw/zinc/13/90/31/1268139031.db2.gz SUNFFHJKDNCDOA-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001338983806 1268139034 /nfs/dbraw/zinc/13/90/34/1268139034.db2.gz SUNFFHJKDNCDOA-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@]2(C)C1 ZINC001550656751 1268145941 /nfs/dbraw/zinc/14/59/41/1268145941.db2.gz XZSYVOQJBIBDCW-WMZOPIPTSA-N 2 1 366.506 0.461 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@]2(C)C1 ZINC001550656751 1268145947 /nfs/dbraw/zinc/14/59/47/1268145947.db2.gz XZSYVOQJBIBDCW-WMZOPIPTSA-N 2 1 366.506 0.461 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001339011266 1268148153 /nfs/dbraw/zinc/14/81/53/1268148153.db2.gz KLDAYKHPICOYBX-LJQANCHMSA-N 2 1 361.486 0.226 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001339011266 1268148155 /nfs/dbraw/zinc/14/81/55/1268148155.db2.gz KLDAYKHPICOYBX-LJQANCHMSA-N 2 1 361.486 0.226 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550730318 1268157750 /nfs/dbraw/zinc/15/77/50/1268157750.db2.gz FFXLDGABXBSEPH-SJORKVTESA-N 2 1 366.506 0.509 20 0 FCADMP C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730302 1268158181 /nfs/dbraw/zinc/15/81/81/1268158181.db2.gz FCLZOWYZNGKBLD-JKSUJKDBSA-N 2 1 354.495 0.413 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001550732259 1268158278 /nfs/dbraw/zinc/15/82/78/1268158278.db2.gz RGXGXCYLVVDTQR-CVEARBPZSA-N 2 1 354.495 0.685 20 0 FCADMP C[N@H+]1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)C[C@H]21 ZINC001550745787 1268160357 /nfs/dbraw/zinc/16/03/57/1268160357.db2.gz UKSMAAIMJOBTIL-ICBNADEASA-N 2 1 358.486 0.839 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C2 ZINC001550903157 1268182186 /nfs/dbraw/zinc/18/21/86/1268182186.db2.gz ITYLUDISYZKRNM-NBMJBFSESA-N 2 1 353.507 0.287 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C2 ZINC001550903157 1268182190 /nfs/dbraw/zinc/18/21/90/1268182190.db2.gz ITYLUDISYZKRNM-NBMJBFSESA-N 2 1 353.507 0.287 20 0 FCADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551159374 1268209915 /nfs/dbraw/zinc/20/99/15/1268209915.db2.gz PSPDVSRFFCMUNN-NKELODKYSA-N 2 1 353.507 0.983 20 0 FCADMP C[N@H+]1C[C@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229808 1268214882 /nfs/dbraw/zinc/21/48/82/1268214882.db2.gz RUTBSVIRKXDVAA-WJFTUGDTSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229808 1268214894 /nfs/dbraw/zinc/21/48/94/1268214894.db2.gz RUTBSVIRKXDVAA-WJFTUGDTSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229808 1268214904 /nfs/dbraw/zinc/21/49/04/1268214904.db2.gz RUTBSVIRKXDVAA-WJFTUGDTSA-N 2 1 358.486 0.792 20 0 FCADMP C[N@@H+]1C[C@H](CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228910 1268216267 /nfs/dbraw/zinc/21/62/67/1268216267.db2.gz QAIATJOEBFWJPM-QXAKKESOSA-N 2 1 358.486 0.792 20 0 FCADMP C[N@H+]1C[C@H](CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228910 1268216275 /nfs/dbraw/zinc/21/62/75/1268216275.db2.gz QAIATJOEBFWJPM-QXAKKESOSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228910 1268216282 /nfs/dbraw/zinc/21/62/82/1268216282.db2.gz QAIATJOEBFWJPM-QXAKKESOSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228910 1268216290 /nfs/dbraw/zinc/21/62/90/1268216290.db2.gz QAIATJOEBFWJPM-QXAKKESOSA-N 2 1 358.486 0.792 20 0 FCADMP CNC(=O)[C@@]12C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@@H]1COCC2 ZINC001551427899 1268245444 /nfs/dbraw/zinc/24/54/44/1268245444.db2.gz VCTGNEQPTMXVGX-BEFAXECRSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551471754 1268257703 /nfs/dbraw/zinc/25/77/03/1268257703.db2.gz XCLJELFCLBWNGX-OWCLPIDISA-N 2 1 354.495 0.242 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551547585 1268264903 /nfs/dbraw/zinc/26/49/03/1268264903.db2.gz DOXMQLIORWJUMS-BWRBCVJASA-N 2 1 363.506 0.594 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551583729 1268278430 /nfs/dbraw/zinc/27/84/30/1268278430.db2.gz WMPXLXOZVPZMDW-XYJFISCASA-N 2 1 365.522 0.757 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551592797 1268280858 /nfs/dbraw/zinc/28/08/58/1268280858.db2.gz NAVGZTLXIWXONO-QRTARXTBSA-N 2 1 351.495 0.226 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597264 1268282016 /nfs/dbraw/zinc/28/20/16/1268282016.db2.gz UWZRHKAALZKPMF-WMZOPIPTSA-N 2 1 365.522 0.759 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939122 1268317784 /nfs/dbraw/zinc/31/77/84/1268317784.db2.gz LROBPAJJEKTXSE-BYNSBNAKSA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939122 1268317793 /nfs/dbraw/zinc/31/77/93/1268317793.db2.gz LROBPAJJEKTXSE-BYNSBNAKSA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)[nH+]cn2)C1 ZINC001551942850 1268319833 /nfs/dbraw/zinc/31/98/33/1268319833.db2.gz YTCQIBSXJKNSCW-LSDHHAIUSA-N 2 1 374.489 0.645 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001552013508 1268352846 /nfs/dbraw/zinc/35/28/46/1268352846.db2.gz SYKMQEDIJRSBJB-BSDSXHPESA-N 2 1 366.506 0.744 20 0 FCADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cnn1C ZINC001552090311 1268369990 /nfs/dbraw/zinc/36/99/90/1268369990.db2.gz OOZFJVJWTQMUEN-SJORKVTESA-N 2 1 371.489 0.550 20 0 FCADMP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCN(Cc2ccccc2)CC1 ZINC001552205525 1268409758 /nfs/dbraw/zinc/40/97/58/1268409758.db2.gz ZQDJGMVBGAFXQZ-XLIONFOSSA-N 2 1 358.486 0.332 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cnn1C ZINC001552273683 1268429061 /nfs/dbraw/zinc/42/90/61/1268429061.db2.gz BAZQTSQUIMSXNT-IRXDYDNUSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cnn1C ZINC001552273680 1268429110 /nfs/dbraw/zinc/42/91/10/1268429110.db2.gz BAZQTSQUIMSXNT-IAGOWNOFSA-N 2 1 369.473 0.475 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340111738 1268438780 /nfs/dbraw/zinc/43/87/80/1268438780.db2.gz HXVGLSUILHUETB-OAQYLSRUSA-N 2 1 374.529 0.945 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC001552352609 1268448108 /nfs/dbraw/zinc/44/81/08/1268448108.db2.gz WFFWRUHNXFVBAF-IBGZPJMESA-N 2 1 359.518 0.978 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC001552352609 1268448113 /nfs/dbraw/zinc/44/81/13/1268448113.db2.gz WFFWRUHNXFVBAF-IBGZPJMESA-N 2 1 359.518 0.978 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552353865 1268448328 /nfs/dbraw/zinc/44/83/28/1268448328.db2.gz ZMUGKPLMTXYBDP-IAGOWNOFSA-N 2 1 366.506 0.555 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC001552706323 1268525750 /nfs/dbraw/zinc/52/57/50/1268525750.db2.gz KEAGMECKJNEQLB-DLBZAZTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC001552706323 1268525757 /nfs/dbraw/zinc/52/57/57/1268525757.db2.gz KEAGMECKJNEQLB-DLBZAZTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC001552707955 1268527866 /nfs/dbraw/zinc/52/78/66/1268527866.db2.gz JRNADVQZVHLPBT-IAGOWNOFSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC001552707955 1268527871 /nfs/dbraw/zinc/52/78/71/1268527871.db2.gz JRNADVQZVHLPBT-IAGOWNOFSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)n1 ZINC001552710518 1268529815 /nfs/dbraw/zinc/52/98/15/1268529815.db2.gz CQKGIPYDGMKSNG-ZBFHGGJFSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)n1 ZINC001552710518 1268529820 /nfs/dbraw/zinc/52/98/20/1268529820.db2.gz CQKGIPYDGMKSNG-ZBFHGGJFSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC001552710518 1268529829 /nfs/dbraw/zinc/52/98/29/1268529829.db2.gz CQKGIPYDGMKSNG-ZBFHGGJFSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001552710518 1268529833 /nfs/dbraw/zinc/52/98/33/1268529833.db2.gz CQKGIPYDGMKSNG-ZBFHGGJFSA-N 2 1 363.506 0.837 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552711259 1268530562 /nfs/dbraw/zinc/53/05/62/1268530562.db2.gz YBFQGOZIIPMOKQ-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552711259 1268530565 /nfs/dbraw/zinc/53/05/65/1268530565.db2.gz YBFQGOZIIPMOKQ-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552711259 1268530570 /nfs/dbraw/zinc/53/05/70/1268530570.db2.gz YBFQGOZIIPMOKQ-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552711259 1268530573 /nfs/dbraw/zinc/53/05/73/1268530573.db2.gz YBFQGOZIIPMOKQ-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H]1n1ccnn1 ZINC001552803117 1268551696 /nfs/dbraw/zinc/55/16/96/1268551696.db2.gz AZBUHIDYJINZEB-FGTMMUONSA-N 2 1 369.473 0.961 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H]1n1ccnn1 ZINC001552803117 1268551697 /nfs/dbraw/zinc/55/16/97/1268551697.db2.gz AZBUHIDYJINZEB-FGTMMUONSA-N 2 1 369.473 0.961 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3C[N@H+](C)CC4)CC2)cs1 ZINC001553348614 1268635130 /nfs/dbraw/zinc/63/51/30/1268635130.db2.gz OQSPLIOSGOBBCE-YJBOKZPZSA-N 2 1 363.531 0.637 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3C[N@@H+](C)CC4)CC2)cs1 ZINC001553348614 1268635141 /nfs/dbraw/zinc/63/51/41/1268635141.db2.gz OQSPLIOSGOBBCE-YJBOKZPZSA-N 2 1 363.531 0.637 20 0 FCADMP Cc1c(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359298 1268637918 /nfs/dbraw/zinc/63/79/18/1268637918.db2.gz LWRIZGIWGLQGBH-FOIQADDNSA-N 2 1 369.469 0.964 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372427 1268639556 /nfs/dbraw/zinc/63/95/56/1268639556.db2.gz JBEYLOXEUFGHOM-URLQWDBASA-N 2 1 354.458 0.986 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405438 1268646104 /nfs/dbraw/zinc/64/61/04/1268646104.db2.gz CKBSUTZCSKLQCQ-ULQDDVLXSA-N 2 1 358.442 0.532 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553412966 1268647478 /nfs/dbraw/zinc/64/74/78/1268647478.db2.gz PBJOYUGTZLFYGN-BZSNNMDCSA-N 2 1 372.469 0.922 20 0 FCADMP C[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001553425617 1268648162 /nfs/dbraw/zinc/64/81/62/1268648162.db2.gz FPRWMALCPQSHSP-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])c1 ZINC001553435699 1268650681 /nfs/dbraw/zinc/65/06/81/1268650681.db2.gz LULDSSMQXPZIQB-CABCVRRESA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])c1 ZINC001553435699 1268650690 /nfs/dbraw/zinc/65/06/90/1268650690.db2.gz LULDSSMQXPZIQB-CABCVRRESA-N 2 1 374.514 0.976 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553453370 1268653388 /nfs/dbraw/zinc/65/33/88/1268653388.db2.gz PNTDFWQZIMAUCD-MDZRGWNJSA-N 2 1 358.490 0.725 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@]([NH3+])(c3ccccc3)C2)CC1 ZINC001553454065 1268653438 /nfs/dbraw/zinc/65/34/38/1268653438.db2.gz ZYGKUIGCSDCZHQ-HXUWFJFHSA-N 2 1 373.501 0.809 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001553459298 1268654516 /nfs/dbraw/zinc/65/45/16/1268654516.db2.gz CUUXBLOVWGVYQG-IKGGRYGDSA-N 2 1 366.506 0.698 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553510313 1268661253 /nfs/dbraw/zinc/66/12/53/1268661253.db2.gz ZKFLBRMGSWOZJW-OWYFMNJBSA-N 2 1 364.494 0.354 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553510313 1268661255 /nfs/dbraw/zinc/66/12/55/1268661255.db2.gz ZKFLBRMGSWOZJW-OWYFMNJBSA-N 2 1 364.494 0.354 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001340892414 1268696950 /nfs/dbraw/zinc/69/69/50/1268696950.db2.gz GFNXKOWEELZPQJ-GOSISDBHSA-N 2 1 361.490 0.155 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244082 1268885660 /nfs/dbraw/zinc/88/56/60/1268885660.db2.gz LNEAHALVTUESEB-KDOFPFPSSA-N 2 1 372.469 0.922 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341585853 1269095848 /nfs/dbraw/zinc/09/58/48/1269095848.db2.gz NTTHVCVJKULRFT-UIBIWLFHSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@H]1Cn2nc(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)cc2C[NH2+]1 ZINC001341601096 1269104239 /nfs/dbraw/zinc/10/42/39/1269104239.db2.gz UULNLESYTZEPEU-ZDUSSCGKSA-N 2 1 362.478 0.047 20 0 FCADMP COCCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001341836911 1269237948 /nfs/dbraw/zinc/23/79/48/1269237948.db2.gz AWPDBNBAHJNEHT-JKSUJKDBSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001341836911 1269237957 /nfs/dbraw/zinc/23/79/57/1269237957.db2.gz AWPDBNBAHJNEHT-JKSUJKDBSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001341836911 1269237967 /nfs/dbraw/zinc/23/79/67/1269237967.db2.gz AWPDBNBAHJNEHT-JKSUJKDBSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001341836911 1269237977 /nfs/dbraw/zinc/23/79/77/1269237977.db2.gz AWPDBNBAHJNEHT-JKSUJKDBSA-N 2 1 364.494 0.255 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(C)c(=O)c1 ZINC001563333069 1269380406 /nfs/dbraw/zinc/38/04/06/1269380406.db2.gz FPGIZKCXWZANBJ-OAHLLOKOSA-N 2 1 350.467 0.660 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037538 1269405488 /nfs/dbraw/zinc/40/54/88/1269405488.db2.gz OIOBTCXPTJPQAC-IRXDYDNUSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037538 1269405491 /nfs/dbraw/zinc/40/54/91/1269405491.db2.gz OIOBTCXPTJPQAC-IRXDYDNUSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037538 1269405492 /nfs/dbraw/zinc/40/54/92/1269405492.db2.gz OIOBTCXPTJPQAC-IRXDYDNUSA-N 2 1 355.527 0.016 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001567035923 1269676033 /nfs/dbraw/zinc/67/60/33/1269676033.db2.gz LARIHNYVAUCBGV-WMZOPIPTSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342935844 1269687646 /nfs/dbraw/zinc/68/76/46/1269687646.db2.gz GGCIFKPMAQFQOR-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036087 1269742542 /nfs/dbraw/zinc/74/25/42/1269742542.db2.gz CDSBDJKADROFNE-KBXCAEBGSA-N 2 1 372.469 0.922 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1)[NH+](C)C ZINC001343108891 1269776794 /nfs/dbraw/zinc/77/67/94/1269776794.db2.gz JJENTKPXTCKOBT-OWCLPIDISA-N 2 1 370.538 0.647 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)CC2)CC1 ZINC001570401649 1269876778 /nfs/dbraw/zinc/87/67/78/1269876778.db2.gz KNWVEBJHMIZXNH-SJLPKXTDSA-N 2 1 353.507 0.384 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607786 1278566396 /nfs/dbraw/zinc/56/63/96/1278566396.db2.gz AOIAWXRNMRGQLQ-HUUCEWRRSA-N 2 1 353.532 0.967 20 0 FCADMP O=C(NC[C@@]1(O)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001580635364 1278596369 /nfs/dbraw/zinc/59/63/69/1278596369.db2.gz NLXGMUGCIDUZEG-NVXWUHKLSA-N 2 1 353.413 0.984 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976518 1270970444 /nfs/dbraw/zinc/97/04/44/1270970444.db2.gz XABKOGGEMQNYLY-SWLSCSKDSA-N 2 1 358.450 0.543 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574260585 1271131587 /nfs/dbraw/zinc/13/15/87/1271131587.db2.gz NAUBHFBLLXDWBO-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001574264986 1271140388 /nfs/dbraw/zinc/14/03/88/1271140388.db2.gz UYYOAZVUDGOZFD-VQFNDLOPSA-N 2 1 369.473 0.753 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001574264986 1271140393 /nfs/dbraw/zinc/14/03/93/1271140393.db2.gz UYYOAZVUDGOZFD-VQFNDLOPSA-N 2 1 369.473 0.753 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001574264986 1271140403 /nfs/dbraw/zinc/14/04/03/1271140403.db2.gz UYYOAZVUDGOZFD-VQFNDLOPSA-N 2 1 369.473 0.753 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288018 1271163462 /nfs/dbraw/zinc/16/34/62/1271163462.db2.gz DDLAVEUZZXVULT-XJKCOSOUSA-N 2 1 370.461 0.616 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574673128 1271477918 /nfs/dbraw/zinc/47/79/18/1271477918.db2.gz ZGZQYEALAZBKGW-ZDUSSCGKSA-N 2 1 374.493 0.968 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001580654891 1278637178 /nfs/dbraw/zinc/63/71/78/1278637178.db2.gz PUDHYEAJLYIDRK-LSDHHAIUSA-N 2 1 350.467 0.169 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCCC1 ZINC001574783364 1271517938 /nfs/dbraw/zinc/51/79/38/1271517938.db2.gz BZMYVPRJTCGLAH-AWEZNQCLSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574803230 1271539691 /nfs/dbraw/zinc/53/96/91/1271539691.db2.gz BQZHCGCOHZHDLZ-IHRRRGAJSA-N 2 1 372.477 0.933 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870695 1271621574 /nfs/dbraw/zinc/62/15/74/1271621574.db2.gz CTDYRYNZTRBANZ-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870885 1271621936 /nfs/dbraw/zinc/62/19/36/1271621936.db2.gz DYDRXZPWFUYXAM-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874716 1271627924 /nfs/dbraw/zinc/62/79/24/1271627924.db2.gz UPJLMKHEZGSDPR-SWLSCSKDSA-N 2 1 358.450 0.473 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874714 1271628206 /nfs/dbraw/zinc/62/82/06/1271628206.db2.gz UPJLMKHEZGSDPR-DOMZBBRYSA-N 2 1 358.450 0.473 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874826 1271629135 /nfs/dbraw/zinc/62/91/35/1271629135.db2.gz DVHZWCKLRIWVCF-YPMHNXCESA-N 2 1 361.425 0.552 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001575149724 1271750054 /nfs/dbraw/zinc/75/00/54/1271750054.db2.gz JFBJTQPZEIMQJJ-FMKPAKJESA-N 2 1 359.536 0.529 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001575149724 1271750059 /nfs/dbraw/zinc/75/00/59/1271750059.db2.gz JFBJTQPZEIMQJJ-FMKPAKJESA-N 2 1 359.536 0.529 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@H]2CC23C[NH2+]C3)CC1 ZINC001575196297 1271780164 /nfs/dbraw/zinc/78/01/64/1271780164.db2.gz SIZNWPREGVHWBV-CQSZACIVSA-N 2 1 352.479 0.655 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001580661577 1278663038 /nfs/dbraw/zinc/66/30/38/1278663038.db2.gz QOGPTPCNFNXIPF-RTBURBONSA-N 2 1 357.502 0.950 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575367718 1272009572 /nfs/dbraw/zinc/00/95/72/1272009572.db2.gz QPIGEKZLBSMYSX-CABCVRRESA-N 2 1 364.494 0.430 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575367718 1272009578 /nfs/dbraw/zinc/00/95/78/1272009578.db2.gz QPIGEKZLBSMYSX-CABCVRRESA-N 2 1 364.494 0.430 20 0 FCADMP C[C@H](C[NH2+]CCc1c[nH]nn1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575613361 1272236262 /nfs/dbraw/zinc/23/62/62/1272236262.db2.gz SYRRLDIGEAJIPF-CQSZACIVSA-N 2 1 352.483 0.142 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575983160 1272645297 /nfs/dbraw/zinc/64/52/97/1272645297.db2.gz NCJZNGPDJSFWLM-CHWSQXEVSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576061996 1272808260 /nfs/dbraw/zinc/80/82/60/1272808260.db2.gz YATVMOJZMZIIBW-CZUORRHYSA-N 2 1 366.429 0.821 20 0 FCADMP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576112481 1272902365 /nfs/dbraw/zinc/90/23/65/1272902365.db2.gz WFLYKFLHOZYUOH-HOTGVXAUSA-N 2 1 360.506 0.907 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576112482 1272903115 /nfs/dbraw/zinc/90/31/15/1272903115.db2.gz WFLYKFLHOZYUOH-HZPDHXFCSA-N 2 1 360.506 0.907 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486564 1273334972 /nfs/dbraw/zinc/33/49/72/1273334972.db2.gz XOEVFQARPKDYDD-HOTGVXAUSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486564 1273334978 /nfs/dbraw/zinc/33/49/78/1273334978.db2.gz XOEVFQARPKDYDD-HOTGVXAUSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486564 1273334990 /nfs/dbraw/zinc/33/49/90/1273334990.db2.gz XOEVFQARPKDYDD-HOTGVXAUSA-N 2 1 350.467 0.039 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001576605956 1273475816 /nfs/dbraw/zinc/47/58/16/1273475816.db2.gz NUWLSWJKRRRHMX-MGLUKCQKSA-N 2 1 351.495 0.591 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708450 1273579953 /nfs/dbraw/zinc/57/99/53/1273579953.db2.gz DPUGLCGBRWGSSB-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708450 1273579960 /nfs/dbraw/zinc/57/99/60/1273579960.db2.gz DPUGLCGBRWGSSB-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748488 1273619792 /nfs/dbraw/zinc/61/97/92/1273619792.db2.gz XUBFTSPRQHBVFC-CBZIJGRNSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748488 1273619798 /nfs/dbraw/zinc/61/97/98/1273619798.db2.gz XUBFTSPRQHBVFC-CBZIJGRNSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748488 1273619806 /nfs/dbraw/zinc/61/98/06/1273619806.db2.gz XUBFTSPRQHBVFC-CBZIJGRNSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001576751754 1273623218 /nfs/dbraw/zinc/62/32/18/1273623218.db2.gz LIGGQIKPPLRYBD-CHWSQXEVSA-N 2 1 374.411 0.668 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1)CC(C)(C)C ZINC001576763129 1273639384 /nfs/dbraw/zinc/63/93/84/1273639384.db2.gz ZYMWUVACBVORSR-OAHLLOKOSA-N 2 1 364.494 0.285 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797222 1273702090 /nfs/dbraw/zinc/70/20/90/1273702090.db2.gz UXKZJABDMWNSJJ-CVEARBPZSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797222 1273702098 /nfs/dbraw/zinc/70/20/98/1273702098.db2.gz UXKZJABDMWNSJJ-CVEARBPZSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576830543 1273756104 /nfs/dbraw/zinc/75/61/04/1273756104.db2.gz GYVGDLGROIMELG-RKVPGOIHSA-N 2 1 364.494 0.037 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849504 1273800113 /nfs/dbraw/zinc/80/01/13/1273800113.db2.gz GJOUMQPMLHRKJB-HUUCEWRRSA-N 2 1 361.494 0.536 20 0 FCADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001576855733 1273808710 /nfs/dbraw/zinc/80/87/10/1273808710.db2.gz WESWBYPQNIAODN-AWEZNQCLSA-N 2 1 350.467 0.342 20 0 FCADMP C[C@H]1CN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576862835 1273825704 /nfs/dbraw/zinc/82/57/04/1273825704.db2.gz WFNUQPQHWIQOJD-HOTGVXAUSA-N 2 1 373.505 0.802 20 0 FCADMP C[C@H]1CN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576862835 1273825716 /nfs/dbraw/zinc/82/57/16/1273825716.db2.gz WFNUQPQHWIQOJD-HOTGVXAUSA-N 2 1 373.505 0.802 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N(CC[NH2+]CCc2cn[nH]n2)Cc2ccccc2)C1 ZINC001576876834 1273858618 /nfs/dbraw/zinc/85/86/18/1273858618.db2.gz BFGQASVEZRKEIF-KRWDZBQOSA-N 2 1 356.474 0.917 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N(CC[NH2+]CCc2c[nH]nn2)Cc2ccccc2)C1 ZINC001576876834 1273858623 /nfs/dbraw/zinc/85/86/23/1273858623.db2.gz BFGQASVEZRKEIF-KRWDZBQOSA-N 2 1 356.474 0.917 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N(CC[NH2+]CCc2c[nH]nn2)Cc2ccccc2)C1 ZINC001576876834 1273858630 /nfs/dbraw/zinc/85/86/30/1273858630.db2.gz BFGQASVEZRKEIF-KRWDZBQOSA-N 2 1 356.474 0.917 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902871 1273909594 /nfs/dbraw/zinc/90/95/94/1273909594.db2.gz GHEAOACJRZJPSZ-CVEARBPZSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902871 1273909623 /nfs/dbraw/zinc/90/96/23/1273909623.db2.gz GHEAOACJRZJPSZ-CVEARBPZSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902871 1273909630 /nfs/dbraw/zinc/90/96/30/1273909630.db2.gz GHEAOACJRZJPSZ-CVEARBPZSA-N 2 1 362.478 0.181 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001576995012 1274027693 /nfs/dbraw/zinc/02/76/93/1274027693.db2.gz HTSDZKDOXMQOTQ-LJISPDSOSA-N 2 1 363.510 0.525 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001577142362 1274193598 /nfs/dbraw/zinc/19/35/98/1274193598.db2.gz ZPVNGNAANUOKCC-KDOFPFPSSA-N 2 1 360.506 0.906 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@@H+](CCc1cn[nH]n1)C2 ZINC001577189723 1274237829 /nfs/dbraw/zinc/23/78/29/1274237829.db2.gz PLKFBSJBOPGEHZ-YSIASYRMSA-N 2 1 372.517 0.859 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@H+](CCc1c[nH]nn1)C2 ZINC001577189723 1274237836 /nfs/dbraw/zinc/23/78/36/1274237836.db2.gz PLKFBSJBOPGEHZ-YSIASYRMSA-N 2 1 372.517 0.859 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@@H+](CCc1c[nH]nn1)C2 ZINC001577189723 1274237846 /nfs/dbraw/zinc/23/78/46/1274237846.db2.gz PLKFBSJBOPGEHZ-YSIASYRMSA-N 2 1 372.517 0.859 20 0 FCADMP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC001577296453 1274311889 /nfs/dbraw/zinc/31/18/89/1274311889.db2.gz PFWIQODYGQNWIP-GJYPPUQNSA-N 2 1 362.522 0.861 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577553535 1274492300 /nfs/dbraw/zinc/49/23/00/1274492300.db2.gz BHUOWZANTGRTFT-UHFFFAOYSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558220 1274502458 /nfs/dbraw/zinc/50/24/58/1274502458.db2.gz DJJWKROACHNNMR-ZFWWWQNUSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577558673 1274504217 /nfs/dbraw/zinc/50/42/17/1274504217.db2.gz LKSSGEUDWDLWPU-UHFFFAOYSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577565157 1274519970 /nfs/dbraw/zinc/51/99/70/1274519970.db2.gz LDLGBBFIAGMNHZ-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577565350 1274520722 /nfs/dbraw/zinc/52/07/22/1274520722.db2.gz RJESHEULBKFFDW-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565406 1274522120 /nfs/dbraw/zinc/52/21/20/1274522120.db2.gz ULEPSOPTGFRNIX-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565406 1274522126 /nfs/dbraw/zinc/52/21/26/1274522126.db2.gz ULEPSOPTGFRNIX-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565406 1274522131 /nfs/dbraw/zinc/52/21/31/1274522131.db2.gz ULEPSOPTGFRNIX-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577565424 1274522284 /nfs/dbraw/zinc/52/22/84/1274522284.db2.gz VSRQPIRDDHQUQB-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573852 1274537744 /nfs/dbraw/zinc/53/77/44/1274537744.db2.gz FBECKGGSXJHCTM-CQSZACIVSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH2+]CCOC)C2)ccn1 ZINC001577654389 1274657798 /nfs/dbraw/zinc/65/77/98/1274657798.db2.gz CCHIQVUHNPUCES-KRWDZBQOSA-N 2 1 350.463 0.749 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672740 1274705268 /nfs/dbraw/zinc/70/52/68/1274705268.db2.gz ADXXCLPKKCDAHU-BBRMVZONSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704254 1274765604 /nfs/dbraw/zinc/76/56/04/1274765604.db2.gz ILNKZPUGPLGUBJ-HIFRSBDPSA-N 2 1 353.463 0.755 20 0 FCADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1)C(C)C ZINC001577731514 1274806462 /nfs/dbraw/zinc/80/64/62/1274806462.db2.gz SRCXPMQZBPYMFW-HNNXBMFYSA-N 2 1 363.510 0.887 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC001577731420 1274807476 /nfs/dbraw/zinc/80/74/76/1274807476.db2.gz PTNQBOKJFJJWAI-HUUCEWRRSA-N 2 1 365.526 0.930 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577759519 1274840084 /nfs/dbraw/zinc/84/00/84/1274840084.db2.gz GZBAQKLTONMWRY-MGPQQGTHSA-N 2 1 351.499 0.682 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C[NH3+])[C@H](C(=O)OC)C1 ZINC001577773373 1274861121 /nfs/dbraw/zinc/86/11/21/1274861121.db2.gz CWTROJBHIZVIAP-BZUAXINKSA-N 2 1 364.494 0.645 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC001577780896 1274876874 /nfs/dbraw/zinc/87/68/74/1274876874.db2.gz FYNMMCSVFAQSRF-ZNMIVQPWSA-N 2 1 363.510 0.743 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@H]1C ZINC001577782027 1274876991 /nfs/dbraw/zinc/87/69/91/1274876991.db2.gz SXZLDUCYVKKOKY-QAPCUYQASA-N 2 1 366.510 0.808 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852366 1274997218 /nfs/dbraw/zinc/99/72/18/1274997218.db2.gz PKFYSRRQMKTZBZ-AWEZNQCLSA-N 2 1 372.477 0.888 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860486 1275022698 /nfs/dbraw/zinc/02/26/98/1275022698.db2.gz XQGIUEGZPZMJIE-OLZOCXBDSA-N 2 1 360.466 0.721 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859909 1275023823 /nfs/dbraw/zinc/02/38/23/1275023823.db2.gz PRNFILGGGLTARU-ZDUSSCGKSA-N 2 1 360.466 0.853 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577873417 1275066546 /nfs/dbraw/zinc/06/65/46/1275066546.db2.gz HYXBMQFCDPJYRW-KRWDZBQOSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577873417 1275066554 /nfs/dbraw/zinc/06/65/54/1275066554.db2.gz HYXBMQFCDPJYRW-KRWDZBQOSA-N 2 1 371.489 0.394 20 0 FCADMP CCN(CCNC(=O)C[N@@H+](C)C1CCC1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578004358 1275264901 /nfs/dbraw/zinc/26/49/01/1275264901.db2.gz FIUGIHMNEQLZKZ-UHFFFAOYSA-N 2 1 372.477 0.997 20 0 FCADMP CCOC(=O)c1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)on1 ZINC001578054118 1275347322 /nfs/dbraw/zinc/34/73/22/1275347322.db2.gz UBODYLJSBBBWIP-LBPRGKRZSA-N 2 1 350.341 0.777 20 0 FCADMP CCOC1CC(Cn2c(C)nnc2N2CC[C@H]([NH3+])C2)([NH+]2CCOCC2)C1 ZINC001578087061 1275389313 /nfs/dbraw/zinc/38/93/13/1275389313.db2.gz CCKOERMVMYKHCE-HJOIGYKYSA-N 2 1 364.494 0.394 20 0 FCADMP CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001578230947 1275531657 /nfs/dbraw/zinc/53/16/57/1275531657.db2.gz TWAXEMGRSZXCBT-RUGDWHBFSA-N 2 1 350.507 0.964 20 0 FCADMP CCc1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001578305303 1275640218 /nfs/dbraw/zinc/64/02/18/1275640218.db2.gz LHDUFWSZEHFCTA-ARFHVFGLSA-N 2 1 350.511 0.981 20 0 FCADMP CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](C)C[NH2+]C ZINC001578305861 1275640698 /nfs/dbraw/zinc/64/06/98/1275640698.db2.gz QBQQYNDRTDIDCT-JYJNAYRXSA-N 2 1 350.511 0.853 20 0 FCADMP CCc1nnc(N2CC[C@H]([NH2+]C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001578314871 1275655188 /nfs/dbraw/zinc/65/51/88/1275655188.db2.gz FGGMVNDDUNEXCT-IRXDYDNUSA-N 2 1 363.554 0.912 20 0 FCADMP CCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578315632 1275655342 /nfs/dbraw/zinc/65/53/42/1275655342.db2.gz VBFLAHHMIPHYHK-IRXDYDNUSA-N 2 1 363.554 0.912 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001578324782 1275669687 /nfs/dbraw/zinc/66/96/87/1275669687.db2.gz YZPLQNRPNBISMR-HOTGVXAUSA-N 2 1 350.511 0.995 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001578324027 1275669717 /nfs/dbraw/zinc/66/97/17/1275669717.db2.gz CZQSQWXWSSVKRS-JKSUJKDBSA-N 2 1 350.511 0.876 20 0 FCADMP CCc1nnc(N2CC[C@@H]([NH3+])C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001578329473 1275675497 /nfs/dbraw/zinc/67/54/97/1275675497.db2.gz WGAHQKVQFGGHLA-QZTJIDSGSA-N 2 1 370.501 0.993 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001578444895 1275835389 /nfs/dbraw/zinc/83/53/89/1275835389.db2.gz AZBSMZCAQLACJE-SFHVURJKSA-N 2 1 358.442 0.200 20 0 FCADMP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCSC1 ZINC001578525743 1275957823 /nfs/dbraw/zinc/95/78/23/1275957823.db2.gz OUGQGSHCIVYKSM-LOUJCGABSA-N 2 1 366.535 0.491 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCC(F)(F)CC2)C1 ZINC001578525876 1275957924 /nfs/dbraw/zinc/95/79/24/1275957924.db2.gz SGNDMUMWHKFNKN-ZENOOKHLSA-N 2 1 370.448 0.785 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528714 1275959243 /nfs/dbraw/zinc/95/92/43/1275959243.db2.gz LCTXTQNOZUNSBI-STQMWFEESA-N 2 1 351.417 0.464 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)CC1 ZINC001578533561 1275965463 /nfs/dbraw/zinc/96/54/63/1275965463.db2.gz NFHWXXWURHHIIY-QZTJIDSGSA-N 2 1 358.486 0.612 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001578610753 1276047134 /nfs/dbraw/zinc/04/71/34/1276047134.db2.gz BNCAOTJSKSRMEW-GZBFAFLISA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001578612047 1276048798 /nfs/dbraw/zinc/04/87/98/1276048798.db2.gz VSNFEESBGLKXPG-GOEBONIOSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001578612047 1276048802 /nfs/dbraw/zinc/04/88/02/1276048802.db2.gz VSNFEESBGLKXPG-GOEBONIOSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc(C)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001578668927 1276122719 /nfs/dbraw/zinc/12/27/19/1276122719.db2.gz GHNNHGWQVQLPQE-GOSISDBHSA-N 2 1 363.554 0.906 20 0 FCADMP C[NH2+]CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578726575 1276201028 /nfs/dbraw/zinc/20/10/28/1276201028.db2.gz FQNJXMZHSDYQJE-CABCVRRESA-N 2 1 350.467 0.260 20 0 FCADMP C[NH2+]CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578726575 1276201034 /nfs/dbraw/zinc/20/10/34/1276201034.db2.gz FQNJXMZHSDYQJE-CABCVRRESA-N 2 1 350.467 0.260 20 0 FCADMP COC(=O)C1([C@]2(O)CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778251 1276261683 /nfs/dbraw/zinc/26/16/83/1276261683.db2.gz RDCXTGATTSDLHP-IEZWGBDMSA-N 2 1 352.475 0.925 20 0 FCADMP COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001578787147 1276267916 /nfs/dbraw/zinc/26/79/16/1276267916.db2.gz AFBZUIFZVXMTAO-HOTGVXAUSA-N 2 1 352.479 0.609 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001578841298 1276360099 /nfs/dbraw/zinc/36/00/99/1276360099.db2.gz BLQULEPWJAILAH-ZFHCCXERSA-N 2 1 350.463 0.535 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001578843024 1276363750 /nfs/dbraw/zinc/36/37/50/1276363750.db2.gz VCPPCFFBYHVVFH-QWQRMKEZSA-N 2 1 355.398 0.620 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC001578963449 1276505976 /nfs/dbraw/zinc/50/59/76/1276505976.db2.gz PAVCQFDDRPSEIT-LBPRGKRZSA-N 2 1 356.389 0.255 20 0 FCADMP CN(CC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)CC[NH+](C)C ZINC001578973607 1276521070 /nfs/dbraw/zinc/52/10/70/1276521070.db2.gz VFTOZGVKGHNAKX-UHFFFAOYSA-N 2 1 363.441 0.848 20 0 FCADMP CN(CC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)CC[NH+](C)C ZINC001578973607 1276521071 /nfs/dbraw/zinc/52/10/71/1276521071.db2.gz VFTOZGVKGHNAKX-UHFFFAOYSA-N 2 1 363.441 0.848 20 0 FCADMP COC[C@@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578990309 1276563775 /nfs/dbraw/zinc/56/37/75/1276563775.db2.gz QOZQNVLHNAXVCE-BSXFFOKHSA-N 2 1 364.494 0.022 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579014944 1276590591 /nfs/dbraw/zinc/59/05/91/1276590591.db2.gz UUSZGGRFPJRWFN-HZPDHXFCSA-N 2 1 366.510 0.678 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001579014922 1276590691 /nfs/dbraw/zinc/59/06/91/1276590691.db2.gz ULBIZNRIUYOKDQ-OAGGEKHMSA-N 2 1 366.510 0.534 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[NH2+]C2)CC1 ZINC001579038524 1276623278 /nfs/dbraw/zinc/62/32/78/1276623278.db2.gz HVFXULMXMBFJPC-QGZVFWFLSA-N 2 1 362.522 0.999 20 0 FCADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001579083271 1276711926 /nfs/dbraw/zinc/71/19/26/1276711926.db2.gz PJVTZMGIXVDZTR-SJORKVTESA-N 2 1 350.463 0.875 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177191 1276937628 /nfs/dbraw/zinc/93/76/28/1276937628.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177191 1276937633 /nfs/dbraw/zinc/93/76/33/1276937633.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177191 1276937638 /nfs/dbraw/zinc/93/76/38/1276937638.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001579180560 1276947965 /nfs/dbraw/zinc/94/79/65/1276947965.db2.gz PABNKTSQDVMYEI-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180560 1276947967 /nfs/dbraw/zinc/94/79/67/1276947967.db2.gz PABNKTSQDVMYEI-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180560 1276947973 /nfs/dbraw/zinc/94/79/73/1276947973.db2.gz PABNKTSQDVMYEI-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001579215157 1277010918 /nfs/dbraw/zinc/01/09/18/1277010918.db2.gz ZITJKTYWJYZGRC-CYBMUJFWSA-N 2 1 358.450 0.428 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579247907 1277046917 /nfs/dbraw/zinc/04/69/17/1277046917.db2.gz LCXLOYLKFIHJMD-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579247907 1277046918 /nfs/dbraw/zinc/04/69/18/1277046918.db2.gz LCXLOYLKFIHJMD-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579247907 1277046920 /nfs/dbraw/zinc/04/69/20/1277046920.db2.gz LCXLOYLKFIHJMD-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579261405 1277058692 /nfs/dbraw/zinc/05/86/92/1277058692.db2.gz PZVXVWHRDDVGSZ-DOTOQJQBSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579261405 1277058695 /nfs/dbraw/zinc/05/86/95/1277058695.db2.gz PZVXVWHRDDVGSZ-DOTOQJQBSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579261405 1277058735 /nfs/dbraw/zinc/05/87/35/1277058735.db2.gz PZVXVWHRDDVGSZ-DOTOQJQBSA-N 2 1 369.473 0.994 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)Nc3cc4n(n3)CC[NH2+]C4)CC2)c1 ZINC001579317103 1277133156 /nfs/dbraw/zinc/13/31/56/1277133156.db2.gz JKGNMDWHKGBCBT-UHFFFAOYSA-N 2 1 357.418 0.744 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326155 1277149811 /nfs/dbraw/zinc/14/98/11/1277149811.db2.gz MKOZKXGZXDJCQD-FZKQIMNGSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331356 1277160375 /nfs/dbraw/zinc/16/03/75/1277160375.db2.gz AUXZVINJRJZYOI-IAGOWNOFSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331692 1277162569 /nfs/dbraw/zinc/16/25/69/1277162569.db2.gz GPYIXTPUKBFDOS-IRXDYDNUSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001579334036 1277170292 /nfs/dbraw/zinc/17/02/92/1277170292.db2.gz UUIVWPJTWWRUOD-CYBMUJFWSA-N 2 1 370.461 0.476 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339829 1277183274 /nfs/dbraw/zinc/18/32/74/1277183274.db2.gz NNNUFJINDMMHSK-PBOSXPJTSA-N 2 1 373.486 0.426 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339829 1277183279 /nfs/dbraw/zinc/18/32/79/1277183279.db2.gz NNNUFJINDMMHSK-PBOSXPJTSA-N 2 1 373.486 0.426 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001579339829 1277183280 /nfs/dbraw/zinc/18/32/80/1277183280.db2.gz NNNUFJINDMMHSK-PBOSXPJTSA-N 2 1 373.486 0.426 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344445 1277193691 /nfs/dbraw/zinc/19/36/91/1277193691.db2.gz FUFSVBFMIJTRAO-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344445 1277193692 /nfs/dbraw/zinc/19/36/92/1277193692.db2.gz FUFSVBFMIJTRAO-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344445 1277193693 /nfs/dbraw/zinc/19/36/93/1277193693.db2.gz FUFSVBFMIJTRAO-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344445 1277193694 /nfs/dbraw/zinc/19/36/94/1277193694.db2.gz FUFSVBFMIJTRAO-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343911 1277194480 /nfs/dbraw/zinc/19/44/80/1277194480.db2.gz NHYKNCLATSRATB-LRDDRELGSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344321 1277195214 /nfs/dbraw/zinc/19/52/14/1277195214.db2.gz PUGYDQUYRNJNPF-RDBSUJKOSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344321 1277195216 /nfs/dbraw/zinc/19/52/16/1277195216.db2.gz PUGYDQUYRNJNPF-RDBSUJKOSA-N 2 1 368.445 0.393 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579344756 1277196428 /nfs/dbraw/zinc/19/64/28/1277196428.db2.gz RMDZNGPSANQACK-CQSZACIVSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355047 1277217067 /nfs/dbraw/zinc/21/70/67/1277217067.db2.gz CHJFPPHTLDTMLQ-DLBZAZTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353885 1277217396 /nfs/dbraw/zinc/21/73/96/1277217396.db2.gz WBDYKPALEGOKDD-BBRMVZONSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579355055 1277217456 /nfs/dbraw/zinc/21/74/56/1277217456.db2.gz CLTSVMXMOQRWNZ-PGEKIEPBSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358878 1277228503 /nfs/dbraw/zinc/22/85/03/1277228503.db2.gz LCMSOJYWQIQGFM-DLBZAZTESA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001579404007 1277287515 /nfs/dbraw/zinc/28/75/15/1277287515.db2.gz BOGMSXFIICCBBD-KGLIPLIRSA-N 2 1 363.510 0.887 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713485135 1287282992 /nfs/dbraw/zinc/28/29/92/1287282992.db2.gz IIIGZUIVSFNUIO-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713485135 1287282993 /nfs/dbraw/zinc/28/29/93/1287282993.db2.gz IIIGZUIVSFNUIO-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713485135 1287282994 /nfs/dbraw/zinc/28/29/94/1287282994.db2.gz IIIGZUIVSFNUIO-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713485135 1287282995 /nfs/dbraw/zinc/28/29/95/1287282995.db2.gz IIIGZUIVSFNUIO-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([NH3+])C3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001579585076 1277611322 /nfs/dbraw/zinc/61/13/22/1277611322.db2.gz CWHAFFPWHFXTET-QGZVFWFLSA-N 2 1 370.505 0.939 20 0 FCADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH3+])CC1 ZINC001579882838 1277949087 /nfs/dbraw/zinc/94/90/87/1277949087.db2.gz GMQYHONPLNIXPZ-UHFFFAOYSA-N 2 1 374.493 0.797 20 0 FCADMP Cc1sc(C[NH3+])nc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001579934804 1277968430 /nfs/dbraw/zinc/96/84/30/1277968430.db2.gz SDSOVNFKLMGACF-UHFFFAOYSA-N 2 1 353.492 0.632 20 0 FCADMP C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001714264105 1287318137 /nfs/dbraw/zinc/31/81/37/1287318137.db2.gz JDYVNKVYZKWOIB-SQWLQELKSA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580270598 1278061919 /nfs/dbraw/zinc/06/19/19/1278061919.db2.gz UBJMBUKJCYRILP-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580270787 1278063763 /nfs/dbraw/zinc/06/37/63/1278063763.db2.gz FBQCUAMMPFREHD-AAEUAGOBSA-N 2 1 361.425 0.552 20 0 FCADMP O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001580869805 1279073299 /nfs/dbraw/zinc/07/32/99/1279073299.db2.gz JXRMZECXDAUKMC-DLBZAZTESA-N 2 1 353.488 0.425 20 0 FCADMP Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941438 1279150208 /nfs/dbraw/zinc/15/02/08/1279150208.db2.gz HPVWABRKDMGVNP-UKRRQHHQSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942759 1279151585 /nfs/dbraw/zinc/15/15/85/1279151585.db2.gz ZPEPSLDNBNZXKR-UKRRQHHQSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977238 1279177159 /nfs/dbraw/zinc/17/71/59/1279177159.db2.gz HKDVAOABKXXISS-UYHMYPTGSA-N 2 1 368.445 0.073 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987830 1279186921 /nfs/dbraw/zinc/18/69/21/1279186921.db2.gz MPSGCZNOPHLPCG-MLGOLLRUSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990709 1279193181 /nfs/dbraw/zinc/19/31/81/1279193181.db2.gz HISFYAVEPVHWJS-WFASDCNBSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994043 1279201164 /nfs/dbraw/zinc/20/11/64/1279201164.db2.gz KKNMIARLMRKRNR-SWLSCSKDSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994988 1279203069 /nfs/dbraw/zinc/20/30/69/1279203069.db2.gz VEXYASVSBXWYPE-KGLIPLIRSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010116 1279235682 /nfs/dbraw/zinc/23/56/82/1279235682.db2.gz FEUOQLANQAPAFB-QWHCGFSZSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012718 1279238910 /nfs/dbraw/zinc/23/89/10/1279238910.db2.gz AYXTVZDUTRMFNL-XJKSGUPXSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024406 1279254746 /nfs/dbraw/zinc/25/47/46/1279254746.db2.gz HQWRCHPPMRDVKF-DGCLKSJQSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024766 1279256237 /nfs/dbraw/zinc/25/62/37/1279256237.db2.gz GXCCDJYCLWYYLC-IACUBPJLSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028258 1279265161 /nfs/dbraw/zinc/26/51/61/1279265161.db2.gz NPSILWGCKPHVFU-CHWSQXEVSA-N 2 1 358.450 0.203 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030103 1279266403 /nfs/dbraw/zinc/26/64/03/1279266403.db2.gz LDHHXAPNDYEEML-CZUORRHYSA-N 2 1 372.477 0.781 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318341 1287352047 /nfs/dbraw/zinc/35/20/47/1287352047.db2.gz GUEWSQHYTGDXHS-KBPBESRZSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318344 1287353060 /nfs/dbraw/zinc/35/30/60/1287353060.db2.gz GUEWSQHYTGDXHS-ZIAGYGMSSA-N 2 1 372.477 0.721 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001603475185 1287383700 /nfs/dbraw/zinc/38/37/00/1287383700.db2.gz KWQHGPUGNKCWOA-BFHYXJOUSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603481066 1287386442 /nfs/dbraw/zinc/38/64/42/1287386442.db2.gz KUJYTFIBLYGKDK-CJNGLKHVSA-N 2 1 372.477 0.863 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581809053 1280548701 /nfs/dbraw/zinc/54/87/01/1280548701.db2.gz BSTACBWNERYHLT-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001581809053 1280548706 /nfs/dbraw/zinc/54/87/06/1280548706.db2.gz BSTACBWNERYHLT-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001581809053 1280548717 /nfs/dbraw/zinc/54/87/17/1280548717.db2.gz BSTACBWNERYHLT-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001582319607 1281336870 /nfs/dbraw/zinc/33/68/70/1281336870.db2.gz FZYODFPREUELIQ-UKRRQHHQSA-N 2 1 368.445 0.298 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001604270339 1287596621 /nfs/dbraw/zinc/59/66/21/1287596621.db2.gz BQVHDZHBFKAELN-KGLIPLIRSA-N 2 1 372.477 0.735 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589676588 1282936011 /nfs/dbraw/zinc/93/60/11/1282936011.db2.gz FCTXTCJLDMUCTK-PLNGDYQASA-N 2 1 357.462 0.969 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708857 1282952661 /nfs/dbraw/zinc/95/26/61/1282952661.db2.gz POOUJZJDFIMEQD-GUYCJALGSA-N 2 1 369.473 0.900 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708857 1282952672 /nfs/dbraw/zinc/95/26/72/1282952672.db2.gz POOUJZJDFIMEQD-GUYCJALGSA-N 2 1 369.473 0.900 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001590269188 1283396327 /nfs/dbraw/zinc/39/63/27/1283396327.db2.gz QSYHJMCVPMLISO-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271267 1283397731 /nfs/dbraw/zinc/39/77/31/1283397731.db2.gz YSTCJPXHDDSQEX-XYBNCVKDSA-N 2 1 369.473 0.971 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CC[N@H+]1C ZINC001719069521 1287652137 /nfs/dbraw/zinc/65/21/37/1287652137.db2.gz SGMOFLLAQDAKGL-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683027543 1283842426 /nfs/dbraw/zinc/84/24/26/1283842426.db2.gz VIOFNCVLBNIBHB-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683027543 1283842435 /nfs/dbraw/zinc/84/24/35/1283842435.db2.gz VIOFNCVLBNIBHB-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP CN(CC1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591063230 1284125432 /nfs/dbraw/zinc/12/54/32/1284125432.db2.gz QXUHZAPHEKZXGS-MRXNPFEDSA-N 2 1 355.446 0.512 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591174576 1284261848 /nfs/dbraw/zinc/26/18/48/1284261848.db2.gz WWCIVHUJPLAKPU-GFCCVEGCSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175195 1284263698 /nfs/dbraw/zinc/26/36/98/1284263698.db2.gz JCGFIDLNALKQDB-DLGQBQFBSA-N 2 1 361.475 0.642 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001591177828 1284273204 /nfs/dbraw/zinc/27/32/04/1284273204.db2.gz OCKXSVSVXILIBI-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001591177828 1284273215 /nfs/dbraw/zinc/27/32/15/1284273215.db2.gz OCKXSVSVXILIBI-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001591193101 1284310625 /nfs/dbraw/zinc/31/06/25/1284310625.db2.gz QPAZEKYGAMZVIE-MRXNPFEDSA-N 2 1 359.478 0.516 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591216655 1284352157 /nfs/dbraw/zinc/35/21/57/1284352157.db2.gz VMMGORKLALMUBF-AWEZNQCLSA-N 2 1 372.477 0.692 20 0 FCADMP Cc1cc(NCCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046727 1285088002 /nfs/dbraw/zinc/08/80/02/1285088002.db2.gz GNUMHMTUSDFGHX-INIZCTEOSA-N 2 1 372.477 0.737 20 0 FCADMP Cc1cc(NCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049218 1285093837 /nfs/dbraw/zinc/09/38/37/1285093837.db2.gz LBLOPJGRJCTXGA-XJKSGUPXSA-N 2 1 370.461 0.537 20 0 FCADMP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001604754920 1287763506 /nfs/dbraw/zinc/76/35/06/1287763506.db2.gz ZZTOWFJDJZHTAJ-HNNXBMFYSA-N 2 1 358.450 0.428 20 0 FCADMP C[N@@H+]1CC=C(C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604846448 1287796175 /nfs/dbraw/zinc/79/61/75/1287796175.db2.gz JEIXXRIJNREDEA-UHFFFAOYSA-N 2 1 362.459 0.492 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001592741937 1285659842 /nfs/dbraw/zinc/65/98/42/1285659842.db2.gz RDUWOADVZXOLJV-GOEBONIOSA-N 2 1 355.446 0.783 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)N1CC[NH2+]CC1 ZINC001592783300 1285706464 /nfs/dbraw/zinc/70/64/64/1285706464.db2.gz HMESJMBBUZJHFQ-INIZCTEOSA-N 2 1 355.446 0.511 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC2(CC[NH2+]2)CC1 ZINC001592785896 1285711001 /nfs/dbraw/zinc/71/10/01/1285711001.db2.gz BASFDNGQTUQWIC-HNNXBMFYSA-N 2 1 353.430 0.408 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593070945 1285963292 /nfs/dbraw/zinc/96/32/92/1285963292.db2.gz FVWAJWXCPSHTTI-MRXNPFEDSA-N 2 1 355.446 0.656 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593119240 1286014018 /nfs/dbraw/zinc/01/40/18/1286014018.db2.gz KYLFXOLMGJNVIJ-GPMSIDNRSA-N 2 1 367.457 0.702 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC001704210798 1286195908 /nfs/dbraw/zinc/19/59/08/1286195908.db2.gz UTMCJEVZIYLECA-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854943 1287799713 /nfs/dbraw/zinc/79/97/13/1287799713.db2.gz VELBBPHEGGTGOS-XQJDBVBESA-N 2 1 356.434 0.110 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860091 1287800893 /nfs/dbraw/zinc/80/08/93/1287800893.db2.gz DCAXXWFUYVERQE-BBRMVZONSA-N 2 1 370.461 0.428 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001719346112 1288104111 /nfs/dbraw/zinc/10/41/11/1288104111.db2.gz RDBVIMLQSNFNQD-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001719346112 1288104113 /nfs/dbraw/zinc/10/41/13/1288104113.db2.gz RDBVIMLQSNFNQD-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001719346112 1288104117 /nfs/dbraw/zinc/10/41/17/1288104117.db2.gz RDBVIMLQSNFNQD-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001719419653 1288115213 /nfs/dbraw/zinc/11/52/13/1288115213.db2.gz XKVHJIXSQSSJFT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001719419653 1288115215 /nfs/dbraw/zinc/11/52/15/1288115215.db2.gz XKVHJIXSQSSJFT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001719419653 1288115222 /nfs/dbraw/zinc/11/52/22/1288115222.db2.gz XKVHJIXSQSSJFT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001727551503 1288517033 /nfs/dbraw/zinc/51/70/33/1288517033.db2.gz ISCHKCFJJYTWMH-HZPDHXFCSA-N 2 1 350.511 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC4CC4)C3)C2)CC[N@H+]1C ZINC001733295133 1288608115 /nfs/dbraw/zinc/60/81/15/1288608115.db2.gz KVUBRVIYZRRWMG-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NCC4CC4)C3)C2)CC[NH+]1C ZINC001733295133 1288608118 /nfs/dbraw/zinc/60/81/18/1288608118.db2.gz KVUBRVIYZRRWMG-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NCC4CC4)C3)C2)CC[NH+]1C ZINC001733295133 1288608121 /nfs/dbraw/zinc/60/81/21/1288608121.db2.gz KVUBRVIYZRRWMG-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP O[C@@H](C[NH2+][C@H]1CCc2c[nH+]cn2C1)COc1ccccc1-c1nn[nH]n1 ZINC001607093971 1288658426 /nfs/dbraw/zinc/65/84/26/1288658426.db2.gz HKUGJMJQPOTXDS-JSGCOSHPSA-N 2 1 355.402 0.408 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)CC(C)(C)C ZINC001691917030 1289341974 /nfs/dbraw/zinc/34/19/74/1289341974.db2.gz CTVXXTIMCOZJER-LSDHHAIUSA-N 2 1 361.552 0.883 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001691917940 1289343171 /nfs/dbraw/zinc/34/31/71/1289343171.db2.gz UNQIIWRKYJSMQK-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691967470 1289352565 /nfs/dbraw/zinc/35/25/65/1289352565.db2.gz FOKJCVALLJLWHX-KSZLIROESA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691967470 1289352576 /nfs/dbraw/zinc/35/25/76/1289352576.db2.gz FOKJCVALLJLWHX-KSZLIROESA-N 2 1 363.506 0.825 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001692042455 1289375324 /nfs/dbraw/zinc/37/53/24/1289375324.db2.gz VDBKLLGJCYSDGK-OWCLPIDISA-N 2 1 368.522 0.306 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001692084422 1289389921 /nfs/dbraw/zinc/38/99/21/1289389921.db2.gz BXAVZHJOSLOJEP-CVEARBPZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001692084422 1289389929 /nfs/dbraw/zinc/38/99/29/1289389929.db2.gz BXAVZHJOSLOJEP-CVEARBPZSA-N 2 1 361.490 0.887 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001692086931 1289394284 /nfs/dbraw/zinc/39/42/84/1289394284.db2.gz SNTHCSGJTRHUKB-SQNIBIBYSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288983 1289444157 /nfs/dbraw/zinc/44/41/57/1289444157.db2.gz FFVNRPTZXHDXPB-ZNMIVQPWSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288983 1289444163 /nfs/dbraw/zinc/44/41/63/1289444163.db2.gz FFVNRPTZXHDXPB-ZNMIVQPWSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001692288983 1289444168 /nfs/dbraw/zinc/44/41/68/1289444168.db2.gz FFVNRPTZXHDXPB-ZNMIVQPWSA-N 2 1 367.494 0.082 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001692389024 1289456742 /nfs/dbraw/zinc/45/67/42/1289456742.db2.gz NWLOTTFLDXIMBL-ZBFHGGJFSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C)[NH+](C)C ZINC001692388986 1289456977 /nfs/dbraw/zinc/45/69/77/1289456977.db2.gz MTVBGBAUTPUQPD-JKIFEVAISA-N 2 1 352.479 0.301 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001692387454 1289457041 /nfs/dbraw/zinc/45/70/41/1289457041.db2.gz TYFQJGPUXDFPSS-OAGGEKHMSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001692387454 1289457045 /nfs/dbraw/zinc/45/70/45/1289457045.db2.gz TYFQJGPUXDFPSS-OAGGEKHMSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCCN2CCCC2=O)C2CC2)CC[N@H+]1C ZINC001699576351 1289558479 /nfs/dbraw/zinc/55/84/79/1289558479.db2.gz NEBFFKMZSWLAHU-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC001699750987 1289564795 /nfs/dbraw/zinc/56/47/95/1289564795.db2.gz JWWFPPWZBZPUAT-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615851941 1289763240 /nfs/dbraw/zinc/76/32/40/1289763240.db2.gz ZJBFZQODYAQMCM-CRAIPNDOSA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001615851941 1289763244 /nfs/dbraw/zinc/76/32/44/1289763244.db2.gz ZJBFZQODYAQMCM-CRAIPNDOSA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001615851941 1289763252 /nfs/dbraw/zinc/76/32/52/1289763252.db2.gz ZJBFZQODYAQMCM-CRAIPNDOSA-N 2 1 350.511 0.999 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCCC1 ZINC001616258799 1289772666 /nfs/dbraw/zinc/77/26/66/1289772666.db2.gz ZEJXKPLTEUTPPL-KRWDZBQOSA-N 2 1 365.522 0.763 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001628812526 1290555899 /nfs/dbraw/zinc/55/58/99/1290555899.db2.gz LQLQEQURRQSDJP-IAGOWNOFSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001628812526 1290555905 /nfs/dbraw/zinc/55/59/05/1290555905.db2.gz LQLQEQURRQSDJP-IAGOWNOFSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001628812526 1290555913 /nfs/dbraw/zinc/55/59/13/1290555913.db2.gz LQLQEQURRQSDJP-IAGOWNOFSA-N 2 1 366.506 0.794 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001752730501 1290614807 /nfs/dbraw/zinc/61/48/07/1290614807.db2.gz FZMYUQNFYOGIDI-XUWVNRHRSA-N 2 1 353.511 0.661 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCF)C2)CC[N@H+]1C ZINC001752926124 1290616427 /nfs/dbraw/zinc/61/64/27/1290616427.db2.gz JSXKCXPTUKRZQO-HRCADAONSA-N 2 1 356.486 0.631 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754225996 1290626836 /nfs/dbraw/zinc/62/68/36/1290626836.db2.gz VINVNLYOIKPNIV-HZSPNIEDSA-N 2 1 355.483 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)C2CC2)CC[N@H+]1C ZINC001754441769 1290628549 /nfs/dbraw/zinc/62/85/49/1290628549.db2.gz QYUOLDMZRQTAFJ-BMFZPTHFSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300445 1290643459 /nfs/dbraw/zinc/64/34/59/1290643459.db2.gz PXMRRASFCJJQCQ-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300445 1290643467 /nfs/dbraw/zinc/64/34/67/1290643467.db2.gz PXMRRASFCJJQCQ-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300445 1290643478 /nfs/dbraw/zinc/64/34/78/1290643478.db2.gz PXMRRASFCJJQCQ-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300445 1290643485 /nfs/dbraw/zinc/64/34/85/1290643485.db2.gz PXMRRASFCJJQCQ-RBSFLKMASA-N 2 1 359.536 0.588 20 0 FCADMP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001631145910 1290716889 /nfs/dbraw/zinc/71/68/89/1290716889.db2.gz KCGLHGPVKOFGNJ-LJQANCHMSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC001631145910 1290716898 /nfs/dbraw/zinc/71/68/98/1290716898.db2.gz KCGLHGPVKOFGNJ-LJQANCHMSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001631145910 1290716907 /nfs/dbraw/zinc/71/69/07/1290716907.db2.gz KCGLHGPVKOFGNJ-LJQANCHMSA-N 2 1 365.522 0.666 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001757182571 1290731858 /nfs/dbraw/zinc/73/18/58/1290731858.db2.gz GAUOWGXMJWMLOH-BBWFWOEESA-N 2 1 368.522 0.137 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001655650332 1291480708 /nfs/dbraw/zinc/48/07/08/1291480708.db2.gz IAYHQRXPNCWIFO-SJORKVTESA-N 2 1 360.506 0.965 20 0 FCADMP COC(=O)CN1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001658831184 1291630436 /nfs/dbraw/zinc/63/04/36/1291630436.db2.gz UKPQAODGAOIYIO-IBGZPJMESA-N 2 1 361.486 0.980 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001677437900 1292235349 /nfs/dbraw/zinc/23/53/49/1292235349.db2.gz FQDPTTNDSXHJHU-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001679408581 1292303757 /nfs/dbraw/zinc/30/37/57/1292303757.db2.gz DETROLLMSQJOAP-FUHWJXTLSA-N 2 1 368.522 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689067182 1294590598 /nfs/dbraw/zinc/59/05/98/1294590598.db2.gz SKIYPXKICSUJGS-HYVNUMGLSA-N 2 1 366.506 0.332 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001689067181 1294590836 /nfs/dbraw/zinc/59/08/36/1294590836.db2.gz SKIYPXKICSUJGS-DJIMGWMZSA-N 2 1 366.506 0.332 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C[NH2+]CCO ZINC001689070532 1294593955 /nfs/dbraw/zinc/59/39/55/1294593955.db2.gz CAKWJBRZZCRPJI-ZMSDIMECSA-N 2 1 350.463 0.199 20 0 FCADMP CCO[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C[NH2+]CCO ZINC001689073756 1294594582 /nfs/dbraw/zinc/59/45/82/1294594582.db2.gz XGAZIMXSUCDUNU-RHSMWYFYSA-N 2 1 359.430 0.326 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001689101708 1294619833 /nfs/dbraw/zinc/61/98/33/1294619833.db2.gz OABMYPAQARRGSX-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+][C@H](C)COC)cc(=O)[nH]2)CC[N@H+]1C ZINC001689139210 1294623500 /nfs/dbraw/zinc/62/35/00/1294623500.db2.gz GNILXCKIJSAOFI-VHDGCEQUSA-N 2 1 365.478 0.653 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001689221470 1294675149 /nfs/dbraw/zinc/67/51/49/1294675149.db2.gz VPLKFUFVCOSJCT-ZJPYXAASSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001689221470 1294675156 /nfs/dbraw/zinc/67/51/56/1294675156.db2.gz VPLKFUFVCOSJCT-ZJPYXAASSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001689221470 1294675166 /nfs/dbraw/zinc/67/51/66/1294675166.db2.gz VPLKFUFVCOSJCT-ZJPYXAASSA-N 2 1 364.534 0.879 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001689222097 1294678457 /nfs/dbraw/zinc/67/84/57/1294678457.db2.gz BFRMZOBVBUUMDR-IXDOHACOSA-N 2 1 368.497 0.679 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001689325126 1294748258 /nfs/dbraw/zinc/74/82/58/1294748258.db2.gz DIMGCAYVXPXLJH-PBHICJAKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001689325126 1294748273 /nfs/dbraw/zinc/74/82/73/1294748273.db2.gz DIMGCAYVXPXLJH-PBHICJAKSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C ZINC001689416977 1294779098 /nfs/dbraw/zinc/77/90/98/1294779098.db2.gz SVUVAKRZVZVPMG-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001689421263 1294781996 /nfs/dbraw/zinc/78/19/96/1294781996.db2.gz YLYPZVHEIPQNLR-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[NH+]3CCC[C@H]3C)CC2)CC[N@H+]1C ZINC001689588123 1294801512 /nfs/dbraw/zinc/80/15/12/1294801512.db2.gz VHASKQLKRJGEIB-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC[NH+]1C ZINC001689588123 1294801523 /nfs/dbraw/zinc/80/15/23/1294801523.db2.gz VHASKQLKRJGEIB-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)CC[NH+]1C ZINC001689588123 1294801534 /nfs/dbraw/zinc/80/15/34/1294801534.db2.gz VHASKQLKRJGEIB-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691483933 1294896729 /nfs/dbraw/zinc/89/67/29/1294896729.db2.gz PGNIQSFWZSYQES-SJORKVTESA-N 2 1 356.474 0.709 20 0 FCADMP CN(CC[NH2+]Cc1ncnn1C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001691483933 1294896746 /nfs/dbraw/zinc/89/67/46/1294896746.db2.gz PGNIQSFWZSYQES-SJORKVTESA-N 2 1 356.474 0.709 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001691837679 1294934912 /nfs/dbraw/zinc/93/49/12/1294934912.db2.gz LOOJOVQATKPNQX-UNEWFSDZSA-N 2 1 361.490 0.717 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(N)=O ZINC001691847877 1294940980 /nfs/dbraw/zinc/94/09/80/1294940980.db2.gz OEOKTCLJYXZCPB-CPUCHLNUSA-N 2 1 370.457 0.971 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCOCC3)ncn2)c2c1CC[NH2+]C2 ZINC001164686078 719604681 /nfs/dbraw/zinc/60/46/81/719604681.db2.gz XZZZBEXZXSPNQX-UHFFFAOYSA-N 2 1 371.489 0.985 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCOCC3)ncn2)c2c1CC[NH2+]C2 ZINC001164686078 719604691 /nfs/dbraw/zinc/60/46/91/719604691.db2.gz XZZZBEXZXSPNQX-UHFFFAOYSA-N 2 1 371.489 0.985 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(N)(=O)=O)cn2)c2c1CC[NH2+]C2 ZINC001164685722 719617609 /nfs/dbraw/zinc/61/76/09/719617609.db2.gz VPBGALWPQSPXPN-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(N)(=O)=O)cn2)c2c1CC[NH2+]C2 ZINC001164685722 719617613 /nfs/dbraw/zinc/61/76/13/719617613.db2.gz VPBGALWPQSPXPN-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001164734602 720529961 /nfs/dbraw/zinc/52/99/61/720529961.db2.gz REEBCLWEMWSGHZ-MRXNPFEDSA-N 2 1 370.505 0.623 20 0 FCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866888 721060256 /nfs/dbraw/zinc/06/02/56/721060256.db2.gz GPJLXDKTLNTTKN-ROUUACIJSA-N 2 1 366.469 0.997 20 0 FCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866618 721112312 /nfs/dbraw/zinc/11/23/12/721112312.db2.gz UGOSRUDTKNCJEV-MSOLQXFVSA-N 2 1 366.469 0.997 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926029 721871669 /nfs/dbraw/zinc/87/16/69/721871669.db2.gz PYTANNMYYFEKRS-IRXDYDNUSA-N 2 1 359.522 0.619 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926029 721871670 /nfs/dbraw/zinc/87/16/70/721871670.db2.gz PYTANNMYYFEKRS-IRXDYDNUSA-N 2 1 359.522 0.619 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001067536336 837465217 /nfs/dbraw/zinc/46/52/17/837465217.db2.gz SXIPRGIZYAIGSW-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001067536336 837465221 /nfs/dbraw/zinc/46/52/21/837465221.db2.gz SXIPRGIZYAIGSW-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001067536336 837465226 /nfs/dbraw/zinc/46/52/26/837465226.db2.gz SXIPRGIZYAIGSW-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942166 837571117 /nfs/dbraw/zinc/57/11/17/837571117.db2.gz PQMPVQFYTDGFCF-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942166 837571123 /nfs/dbraw/zinc/57/11/23/837571123.db2.gz PQMPVQFYTDGFCF-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942166 837571128 /nfs/dbraw/zinc/57/11/28/837571128.db2.gz PQMPVQFYTDGFCF-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942166 837571135 /nfs/dbraw/zinc/57/11/35/837571135.db2.gz PQMPVQFYTDGFCF-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070289397 837643500 /nfs/dbraw/zinc/64/35/00/837643500.db2.gz ABEZXEPHRXXXSM-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327030 837646538 /nfs/dbraw/zinc/64/65/38/837646538.db2.gz OQABWNNXYISWMK-YUELXQCFSA-N 2 1 361.475 0.228 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327030 837646539 /nfs/dbraw/zinc/64/65/39/837646539.db2.gz OQABWNNXYISWMK-YUELXQCFSA-N 2 1 361.475 0.228 20 0 FCADMP CC(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001071046952 837717828 /nfs/dbraw/zinc/71/78/28/837717828.db2.gz UHLVDTWEWIATEV-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001071046952 837717832 /nfs/dbraw/zinc/71/78/32/837717832.db2.gz UHLVDTWEWIATEV-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001071320781 837738194 /nfs/dbraw/zinc/73/81/94/837738194.db2.gz WLZZCHNNJUHTEB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001071320781 837738200 /nfs/dbraw/zinc/73/82/00/837738200.db2.gz WLZZCHNNJUHTEB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001071320781 837738203 /nfs/dbraw/zinc/73/82/03/837738203.db2.gz WLZZCHNNJUHTEB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001071320781 837738209 /nfs/dbraw/zinc/73/82/09/837738209.db2.gz WLZZCHNNJUHTEB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@H]2CCOC2)C3)O1 ZINC001072849411 837745237 /nfs/dbraw/zinc/74/52/37/837745237.db2.gz DKBHRYGFWOUWMT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@H]2CCOC2)C3)O1 ZINC001072849411 837745243 /nfs/dbraw/zinc/74/52/43/837745243.db2.gz DKBHRYGFWOUWMT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC[C@H]2CCOC2)C3)O1 ZINC001072849411 837745246 /nfs/dbraw/zinc/74/52/46/837745246.db2.gz DKBHRYGFWOUWMT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC[C@H]2CCOC2)C3)O1 ZINC001072849411 837745252 /nfs/dbraw/zinc/74/52/52/837745252.db2.gz DKBHRYGFWOUWMT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)CC[N@H+]1C ZINC001074663088 837822296 /nfs/dbraw/zinc/82/22/96/837822296.db2.gz HDSLCQUOTLGJAY-YHUYYLMFSA-N 2 1 351.495 0.321 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001099301111 844013694 /nfs/dbraw/zinc/01/36/94/844013694.db2.gz AYOSRDKSPREYNH-JHJVBQTASA-N 2 1 362.396 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001100345296 844051640 /nfs/dbraw/zinc/05/16/40/844051640.db2.gz YYWGTRNLFHFFNQ-SJJHQCBESA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001100343362 844051886 /nfs/dbraw/zinc/05/18/86/844051886.db2.gz CFEULODTGWRKTP-IKWCTNDRSA-N 2 1 366.491 0.301 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171874 844088530 /nfs/dbraw/zinc/08/85/30/844088530.db2.gz OOIQWZVIMIMWOW-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171874 844088538 /nfs/dbraw/zinc/08/85/38/844088538.db2.gz OOIQWZVIMIMWOW-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171874 844088548 /nfs/dbraw/zinc/08/85/48/844088548.db2.gz OOIQWZVIMIMWOW-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249202477 836025968 /nfs/dbraw/zinc/02/59/68/836025968.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 1 356.555 0.150 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202477 836025980 /nfs/dbraw/zinc/02/59/80/836025980.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 1 356.555 0.150 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202477 836025990 /nfs/dbraw/zinc/02/59/90/836025990.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 1 356.555 0.150 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243497 844117981 /nfs/dbraw/zinc/11/79/81/844117981.db2.gz HXPOKYYAINLNQN-NNFUDEMPSA-N 2 1 350.507 0.633 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243497 844117984 /nfs/dbraw/zinc/11/79/84/844117984.db2.gz HXPOKYYAINLNQN-NNFUDEMPSA-N 2 1 350.507 0.633 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243497 844117990 /nfs/dbraw/zinc/11/79/90/844117990.db2.gz HXPOKYYAINLNQN-NNFUDEMPSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379656528 836050334 /nfs/dbraw/zinc/05/03/34/836050334.db2.gz PKHXBOWEZHQEAZ-WBVHZDCISA-N 2 1 352.504 0.779 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000382757024 836051080 /nfs/dbraw/zinc/05/10/80/836051080.db2.gz PZOFTOSLBGGCMQ-MRXNPFEDSA-N 2 1 352.504 0.733 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267368 844126358 /nfs/dbraw/zinc/12/63/58/844126358.db2.gz BBLSAOFKVJBBBJ-AYBZRNKSSA-N 2 1 350.507 0.632 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271155 844127379 /nfs/dbraw/zinc/12/73/79/844127379.db2.gz HDAJRSVPAYOTLB-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271155 844127382 /nfs/dbraw/zinc/12/73/82/844127382.db2.gz HDAJRSVPAYOTLB-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101271155 844127388 /nfs/dbraw/zinc/12/73/88/844127388.db2.gz HDAJRSVPAYOTLB-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277350 844130712 /nfs/dbraw/zinc/13/07/12/844130712.db2.gz DASKMRYSQJYMRQ-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277350 844130719 /nfs/dbraw/zinc/13/07/19/844130719.db2.gz DASKMRYSQJYMRQ-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP COCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277350 844130723 /nfs/dbraw/zinc/13/07/23/844130723.db2.gz DASKMRYSQJYMRQ-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP COCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277350 844130725 /nfs/dbraw/zinc/13/07/25/844130725.db2.gz DASKMRYSQJYMRQ-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828931 836154338 /nfs/dbraw/zinc/15/43/38/836154338.db2.gz BESOHWMLTAYMPO-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101285273 844134967 /nfs/dbraw/zinc/13/49/67/844134967.db2.gz VZFNKKJYAKNVEF-KUHUBIRLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101285273 844134972 /nfs/dbraw/zinc/13/49/72/844134972.db2.gz VZFNKKJYAKNVEF-KUHUBIRLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101285273 844134979 /nfs/dbraw/zinc/13/49/79/844134979.db2.gz VZFNKKJYAKNVEF-KUHUBIRLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351810 844154478 /nfs/dbraw/zinc/15/44/78/844154478.db2.gz NCEXEJCWNKUCGT-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@]2(C)C1 ZINC001101351275 844154512 /nfs/dbraw/zinc/15/45/12/844154512.db2.gz AUNWZBVSGDBSPY-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364432 844161942 /nfs/dbraw/zinc/16/19/42/844161942.db2.gz TZSLIYPWPHKNTE-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364432 844161948 /nfs/dbraw/zinc/16/19/48/844161948.db2.gz TZSLIYPWPHKNTE-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364432 844161952 /nfs/dbraw/zinc/16/19/52/844161952.db2.gz TZSLIYPWPHKNTE-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000823684064 836516810 /nfs/dbraw/zinc/51/68/10/836516810.db2.gz MRUMTLJQSQWXQP-KRWDZBQOSA-N 2 1 370.515 0.686 20 0 FCADMP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)co1 ZINC001101432556 844185804 /nfs/dbraw/zinc/18/58/04/844185804.db2.gz VSYBZOWECSLLOE-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)co1 ZINC001101432556 844185811 /nfs/dbraw/zinc/18/58/11/844185811.db2.gz VSYBZOWECSLLOE-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432395 844184316 /nfs/dbraw/zinc/18/43/16/844184316.db2.gz QAWDZXIHXRLQCY-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001059678517 836639467 /nfs/dbraw/zinc/63/94/67/836639467.db2.gz VGFHRIIXUFAVOL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444037 844188728 /nfs/dbraw/zinc/18/87/28/844188728.db2.gz UYCMBNCHFUVVEU-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444037 844188733 /nfs/dbraw/zinc/18/87/33/844188733.db2.gz UYCMBNCHFUVVEU-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444037 844188739 /nfs/dbraw/zinc/18/87/39/844188739.db2.gz UYCMBNCHFUVVEU-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461733 844192484 /nfs/dbraw/zinc/19/24/84/844192484.db2.gz QSSKLGUTIOLGIW-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061829010 836718443 /nfs/dbraw/zinc/71/84/43/836718443.db2.gz HRGXKYFJQQGVLE-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001064508827 836796161 /nfs/dbraw/zinc/79/61/61/836796161.db2.gz QIZTUGZICDHZHN-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001064508827 836796169 /nfs/dbraw/zinc/79/61/69/836796169.db2.gz QIZTUGZICDHZHN-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001064508827 836796175 /nfs/dbraw/zinc/79/61/75/836796175.db2.gz QIZTUGZICDHZHN-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001064508827 836796184 /nfs/dbraw/zinc/79/61/84/836796184.db2.gz QIZTUGZICDHZHN-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC2)CC[NH+]1C ZINC001064547947 836797987 /nfs/dbraw/zinc/79/79/87/836797987.db2.gz OAGHMVUTJNNSHT-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065614759 836844402 /nfs/dbraw/zinc/84/44/02/836844402.db2.gz XMBBFFZUPHAJRR-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065614759 836844410 /nfs/dbraw/zinc/84/44/10/836844410.db2.gz XMBBFFZUPHAJRR-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065614759 836844419 /nfs/dbraw/zinc/84/44/19/836844419.db2.gz XMBBFFZUPHAJRR-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001075940441 837931126 /nfs/dbraw/zinc/93/11/26/837931126.db2.gz PUGXLEVKBKBRSP-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001075940441 837931131 /nfs/dbraw/zinc/93/11/31/837931131.db2.gz PUGXLEVKBKBRSP-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844056 844292681 /nfs/dbraw/zinc/29/26/81/844292681.db2.gz JJRDGIHPRISLAD-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844056 844292691 /nfs/dbraw/zinc/29/26/91/844292691.db2.gz JJRDGIHPRISLAD-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101844056 844292700 /nfs/dbraw/zinc/29/27/00/844292700.db2.gz JJRDGIHPRISLAD-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101844056 844292708 /nfs/dbraw/zinc/29/27/08/844292708.db2.gz JJRDGIHPRISLAD-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999154 838204270 /nfs/dbraw/zinc/20/42/70/838204270.db2.gz GESGXHKVDKPRCF-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077022020 838223323 /nfs/dbraw/zinc/22/33/23/838223323.db2.gz HDBRGCQBHYQGKA-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077022020 838223335 /nfs/dbraw/zinc/22/33/35/838223335.db2.gz HDBRGCQBHYQGKA-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+](C)C1CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077022020 838223348 /nfs/dbraw/zinc/22/33/48/838223348.db2.gz HDBRGCQBHYQGKA-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+](C)C1CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077022020 838223355 /nfs/dbraw/zinc/22/33/55/838223355.db2.gz HDBRGCQBHYQGKA-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001077148954 838771292 /nfs/dbraw/zinc/77/12/92/838771292.db2.gz LMSPVSTXMOGYBA-JJXSEGSLSA-N 2 1 356.511 0.303 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001077148954 838771302 /nfs/dbraw/zinc/77/13/02/838771302.db2.gz LMSPVSTXMOGYBA-JJXSEGSLSA-N 2 1 356.511 0.303 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219442 838822459 /nfs/dbraw/zinc/82/24/59/838822459.db2.gz RFGDDOZYTNHROD-HUUCEWRRSA-N 2 1 364.515 0.989 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219442 838822472 /nfs/dbraw/zinc/82/24/72/838822472.db2.gz RFGDDOZYTNHROD-HUUCEWRRSA-N 2 1 364.515 0.989 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001102015338 844373717 /nfs/dbraw/zinc/37/37/17/844373717.db2.gz DHSLFWLUCFSDQN-OAGGEKHMSA-N 2 1 358.502 0.875 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553269 839030227 /nfs/dbraw/zinc/03/02/27/839030227.db2.gz IPZRPNANFJRGCL-DJIMGWMZSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553269 839030237 /nfs/dbraw/zinc/03/02/37/839030237.db2.gz IPZRPNANFJRGCL-DJIMGWMZSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553269 839030246 /nfs/dbraw/zinc/03/02/46/839030246.db2.gz IPZRPNANFJRGCL-DJIMGWMZSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553269 839030252 /nfs/dbraw/zinc/03/02/52/839030252.db2.gz IPZRPNANFJRGCL-DJIMGWMZSA-N 2 1 366.531 0.969 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051923 844397473 /nfs/dbraw/zinc/39/74/73/844397473.db2.gz TUCRNTXCTNVQQP-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051923 844397477 /nfs/dbraw/zinc/39/74/77/844397477.db2.gz TUCRNTXCTNVQQP-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051923 844397485 /nfs/dbraw/zinc/39/74/85/844397485.db2.gz TUCRNTXCTNVQQP-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047268 844394560 /nfs/dbraw/zinc/39/45/60/844394560.db2.gz ANZPWFUBQGHANW-MZMPZRCHSA-N 2 1 350.507 0.537 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818514 839173914 /nfs/dbraw/zinc/17/39/14/839173914.db2.gz ZNYRHGQDBSDUNY-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1)OC ZINC001077979023 839266057 /nfs/dbraw/zinc/26/60/57/839266057.db2.gz XAOWWLXYVPEJNI-RCCFBDPRSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001102109686 844418252 /nfs/dbraw/zinc/41/82/52/844418252.db2.gz XKRUFXJJERIUBF-ZIAGYGMSSA-N 2 1 354.451 0.043 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001102109686 844418255 /nfs/dbraw/zinc/41/82/55/844418255.db2.gz XKRUFXJJERIUBF-ZIAGYGMSSA-N 2 1 354.451 0.043 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176067 839382771 /nfs/dbraw/zinc/38/27/71/839382771.db2.gz ZNUHAMAKRLWKSK-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176067 839382784 /nfs/dbraw/zinc/38/27/84/839382784.db2.gz ZNUHAMAKRLWKSK-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176067 839382791 /nfs/dbraw/zinc/38/27/91/839382791.db2.gz ZNUHAMAKRLWKSK-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC001078403930 839456997 /nfs/dbraw/zinc/45/69/97/839456997.db2.gz MSERKMVGEJJKGZ-HZSPNIEDSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC001078403930 839457000 /nfs/dbraw/zinc/45/70/00/839457000.db2.gz MSERKMVGEJJKGZ-HZSPNIEDSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001078418191 839461036 /nfs/dbraw/zinc/46/10/36/839461036.db2.gz JRIKRLXSVDZTCV-IIAWOOMASA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001078418191 839461041 /nfs/dbraw/zinc/46/10/41/839461041.db2.gz JRIKRLXSVDZTCV-IIAWOOMASA-N 2 1 368.503 0.569 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247173 839499549 /nfs/dbraw/zinc/49/95/49/839499549.db2.gz PDOVSZLTQLVYHT-YYIAUSFCSA-N 2 1 351.491 0.665 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247173 839499557 /nfs/dbraw/zinc/49/95/57/839499557.db2.gz PDOVSZLTQLVYHT-YYIAUSFCSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259536 839501889 /nfs/dbraw/zinc/50/18/89/839501889.db2.gz FMSULEXAVIDAFT-IXDOHACOSA-N 2 1 351.491 0.260 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273931 839504210 /nfs/dbraw/zinc/50/42/10/839504210.db2.gz XKROFSCMKACPKJ-IXDOHACOSA-N 2 1 351.491 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214734 844447130 /nfs/dbraw/zinc/44/71/30/844447130.db2.gz BNVNWNGFUNJOHC-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805513 839597972 /nfs/dbraw/zinc/59/79/72/839597972.db2.gz ULEXRNAJQDHCOI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805513 839597982 /nfs/dbraw/zinc/59/79/82/839597982.db2.gz ULEXRNAJQDHCOI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805513 839597989 /nfs/dbraw/zinc/59/79/89/839597989.db2.gz ULEXRNAJQDHCOI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805513 839598001 /nfs/dbraw/zinc/59/80/01/839598001.db2.gz ULEXRNAJQDHCOI-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844096 839605774 /nfs/dbraw/zinc/60/57/74/839605774.db2.gz ZKSMJYIRVSUUSC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844096 839605779 /nfs/dbraw/zinc/60/57/79/839605779.db2.gz ZKSMJYIRVSUUSC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844096 839605784 /nfs/dbraw/zinc/60/57/84/839605784.db2.gz ZKSMJYIRVSUUSC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844096 839605791 /nfs/dbraw/zinc/60/57/91/839605791.db2.gz ZKSMJYIRVSUUSC-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844095 839605976 /nfs/dbraw/zinc/60/59/76/839605976.db2.gz ZKSMJYIRVSUUSC-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844095 839605983 /nfs/dbraw/zinc/60/59/83/839605983.db2.gz ZKSMJYIRVSUUSC-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844095 839605989 /nfs/dbraw/zinc/60/59/89/839605989.db2.gz ZKSMJYIRVSUUSC-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001079844095 839605995 /nfs/dbraw/zinc/60/59/95/839605995.db2.gz ZKSMJYIRVSUUSC-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849704 839608275 /nfs/dbraw/zinc/60/82/75/839608275.db2.gz VWCFESIFARXBEB-DJIMGWMZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849704 839608277 /nfs/dbraw/zinc/60/82/77/839608277.db2.gz VWCFESIFARXBEB-DJIMGWMZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849704 839608279 /nfs/dbraw/zinc/60/82/79/839608279.db2.gz VWCFESIFARXBEB-DJIMGWMZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849704 839608282 /nfs/dbraw/zinc/60/82/82/839608282.db2.gz VWCFESIFARXBEB-DJIMGWMZSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037184 839653779 /nfs/dbraw/zinc/65/37/79/839653779.db2.gz GMAGUURKQDKCPR-BZUAXINKSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037184 839653785 /nfs/dbraw/zinc/65/37/85/839653785.db2.gz GMAGUURKQDKCPR-BZUAXINKSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290880 844459667 /nfs/dbraw/zinc/45/96/67/844459667.db2.gz YCEHRICLGWAKGW-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292209 844459761 /nfs/dbraw/zinc/45/97/61/844459761.db2.gz DIJKVOKWYRYYGZ-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294163 844459849 /nfs/dbraw/zinc/45/98/49/844459849.db2.gz MKMXZGJBYSKGQM-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288824 844459984 /nfs/dbraw/zinc/45/99/84/844459984.db2.gz XGOIHSXTXQAKGR-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312537 844464816 /nfs/dbraw/zinc/46/48/16/844464816.db2.gz BPNMOUGMSCKSRY-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102314333 844464833 /nfs/dbraw/zinc/46/48/33/844464833.db2.gz BRIYQWBLUOVQTN-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102314333 844464838 /nfs/dbraw/zinc/46/48/38/844464838.db2.gz BRIYQWBLUOVQTN-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2C)C1 ZINC001080446422 839727753 /nfs/dbraw/zinc/72/77/53/839727753.db2.gz KMTQXTCBVKIMIL-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2C)C1 ZINC001080446422 839727759 /nfs/dbraw/zinc/72/77/59/839727759.db2.gz KMTQXTCBVKIMIL-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2C)C1 ZINC001080446422 839727764 /nfs/dbraw/zinc/72/77/64/839727764.db2.gz KMTQXTCBVKIMIL-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2C)C1 ZINC001080446422 839727767 /nfs/dbraw/zinc/72/77/67/839727767.db2.gz KMTQXTCBVKIMIL-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320633 844466330 /nfs/dbraw/zinc/46/63/30/844466330.db2.gz MLZHNGOZKODNQQ-FRRDWIJNSA-N 2 1 366.428 0.689 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320633 844466335 /nfs/dbraw/zinc/46/63/35/844466335.db2.gz MLZHNGOZKODNQQ-FRRDWIJNSA-N 2 1 366.428 0.689 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320503 844466569 /nfs/dbraw/zinc/46/65/69/844466569.db2.gz FTDDKGRCGWWGFA-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558752 839746228 /nfs/dbraw/zinc/74/62/28/839746228.db2.gz BQFTVWQWSCXEHJ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102330172 844467547 /nfs/dbraw/zinc/46/75/47/844467547.db2.gz HAGRWAPXLLJEPO-DJIMGWMZSA-N 2 1 352.523 0.783 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001080998771 839857989 /nfs/dbraw/zinc/85/79/89/839857989.db2.gz MWRYVXCOGCWVFD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001080998771 839857999 /nfs/dbraw/zinc/85/79/99/839857999.db2.gz MWRYVXCOGCWVFD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001080998771 839858011 /nfs/dbraw/zinc/85/80/11/839858011.db2.gz MWRYVXCOGCWVFD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369941 844478388 /nfs/dbraw/zinc/47/83/88/844478388.db2.gz LGHBZANDYDOXPD-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369941 844478390 /nfs/dbraw/zinc/47/83/90/844478390.db2.gz LGHBZANDYDOXPD-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369941 844478393 /nfs/dbraw/zinc/47/83/93/844478393.db2.gz LGHBZANDYDOXPD-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375751 844480110 /nfs/dbraw/zinc/48/01/10/844480110.db2.gz ZRMQNIPZQPAXKD-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375751 844480117 /nfs/dbraw/zinc/48/01/17/844480117.db2.gz ZRMQNIPZQPAXKD-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375751 844480120 /nfs/dbraw/zinc/48/01/20/844480120.db2.gz ZRMQNIPZQPAXKD-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375679 844480345 /nfs/dbraw/zinc/48/03/45/844480345.db2.gz WTUUPGBXZSOPMZ-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375679 844480350 /nfs/dbraw/zinc/48/03/50/844480350.db2.gz WTUUPGBXZSOPMZ-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375679 844480356 /nfs/dbraw/zinc/48/03/56/844480356.db2.gz WTUUPGBXZSOPMZ-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375679 844480362 /nfs/dbraw/zinc/48/03/62/844480362.db2.gz WTUUPGBXZSOPMZ-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375739 844480513 /nfs/dbraw/zinc/48/05/13/844480513.db2.gz ZGCGBYLFPDMHCV-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375739 844480517 /nfs/dbraw/zinc/48/05/17/844480517.db2.gz ZGCGBYLFPDMHCV-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375739 844480521 /nfs/dbraw/zinc/48/05/21/844480521.db2.gz ZGCGBYLFPDMHCV-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433981 844497160 /nfs/dbraw/zinc/49/71/60/844497160.db2.gz JMPYDZAWCBJTTQ-BFYDXBDKSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840769 840060741 /nfs/dbraw/zinc/06/07/41/840060741.db2.gz SUNKRDFSYFYEOL-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)C1 ZINC001082096063 840183222 /nfs/dbraw/zinc/18/32/22/840183222.db2.gz WYEPSFUNAZAUSB-XAWIXRBMSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475503 844516073 /nfs/dbraw/zinc/51/60/73/844516073.db2.gz REDVTSHFMBKZKC-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102475600 844516344 /nfs/dbraw/zinc/51/63/44/844516344.db2.gz VUCZCRPXKVVQQA-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082222163 840247466 /nfs/dbraw/zinc/24/74/66/840247466.db2.gz JQDITAHSAGZYKG-NUEKZKHPSA-N 2 1 355.458 0.622 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328344 840311235 /nfs/dbraw/zinc/31/12/35/840311235.db2.gz PAVIFADQTVADIL-BRWVUGGUSA-N 2 1 351.491 0.857 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368652 840356453 /nfs/dbraw/zinc/35/64/53/840356453.db2.gz JQPPNAGDJGFZHS-NUEKZKHPSA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368652 840356465 /nfs/dbraw/zinc/35/64/65/840356465.db2.gz JQPPNAGDJGFZHS-NUEKZKHPSA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368652 840356477 /nfs/dbraw/zinc/35/64/77/840356477.db2.gz JQPPNAGDJGFZHS-NUEKZKHPSA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368652 840356494 /nfs/dbraw/zinc/35/64/94/840356494.db2.gz JQPPNAGDJGFZHS-NUEKZKHPSA-N 2 1 352.504 0.761 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)C1 ZINC001082371353 840360835 /nfs/dbraw/zinc/36/08/35/840360835.db2.gz DTUOEYFOZJFKGY-BHUNQDJPSA-N 2 1 350.463 0.822 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)C1 ZINC001082371353 840360846 /nfs/dbraw/zinc/36/08/46/840360846.db2.gz DTUOEYFOZJFKGY-BHUNQDJPSA-N 2 1 350.463 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514559 844545956 /nfs/dbraw/zinc/54/59/56/844545956.db2.gz BGCPSFDELZHXTC-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cncs1 ZINC001082557734 840464804 /nfs/dbraw/zinc/46/48/04/840464804.db2.gz CNQQQGKSJBSHMU-BMFZPTHFSA-N 2 1 362.503 0.907 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082562158 840466029 /nfs/dbraw/zinc/46/60/29/840466029.db2.gz SLNLSWMVGOEEJY-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082570556 840470510 /nfs/dbraw/zinc/47/05/10/840470510.db2.gz QIGLCVQZZKVDKD-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511019 844542017 /nfs/dbraw/zinc/54/20/17/844542017.db2.gz GINCJRKVRLOUJL-HZPDHXFCSA-N 2 1 356.511 0.117 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082570611 840471203 /nfs/dbraw/zinc/47/12/03/840471203.db2.gz SLMWFMNLDFFAJL-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1)[NH+](C)C ZINC001082575077 840473185 /nfs/dbraw/zinc/47/31/85/840473185.db2.gz KIWWJAHQTVTGOQ-FMKPAKJESA-N 2 1 354.474 0.770 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514559 844545965 /nfs/dbraw/zinc/54/59/65/844545965.db2.gz BGCPSFDELZHXTC-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514559 844545974 /nfs/dbraw/zinc/54/59/74/844545974.db2.gz BGCPSFDELZHXTC-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC001082590462 840479059 /nfs/dbraw/zinc/47/90/59/840479059.db2.gz XTQMRLSYPVKZKF-BQGCOEIASA-N 2 1 350.438 0.876 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC001082590462 840479065 /nfs/dbraw/zinc/47/90/65/840479065.db2.gz XTQMRLSYPVKZKF-BQGCOEIASA-N 2 1 350.438 0.876 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590386 840479121 /nfs/dbraw/zinc/47/91/21/840479121.db2.gz UAEISQJLXCHHIK-BQGCOEIASA-N 2 1 350.463 0.893 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590386 840479125 /nfs/dbraw/zinc/47/91/25/840479125.db2.gz UAEISQJLXCHHIK-BQGCOEIASA-N 2 1 350.463 0.893 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515509 844546274 /nfs/dbraw/zinc/54/62/74/844546274.db2.gz WVPPRIBBMWJCLD-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP CCn1ccc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513412 844545017 /nfs/dbraw/zinc/54/50/17/844545017.db2.gz JMOIOQLTMWCLRE-HZPDHXFCSA-N 2 1 351.495 0.665 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741111 840543543 /nfs/dbraw/zinc/54/35/43/840543543.db2.gz PWBOJZVJFLMCTC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520678 844550384 /nfs/dbraw/zinc/55/03/84/844550384.db2.gz VAEUVXRIMBFKJB-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524669 844551298 /nfs/dbraw/zinc/55/12/98/844551298.db2.gz QCYKPRNZELXYPW-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524669 844551300 /nfs/dbraw/zinc/55/13/00/844551300.db2.gz QCYKPRNZELXYPW-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524669 844551304 /nfs/dbraw/zinc/55/13/04/844551304.db2.gz QCYKPRNZELXYPW-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082807588 840569840 /nfs/dbraw/zinc/56/98/40/840569840.db2.gz QIPJRVOVUFVFCU-CZUORRHYSA-N 2 1 350.463 0.950 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082861446 840586657 /nfs/dbraw/zinc/58/66/57/840586657.db2.gz BALKIKXXCFKLFE-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082943624 840616622 /nfs/dbraw/zinc/61/66/22/840616622.db2.gz SVUSGZPNBQHQCO-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@@H]32)CC1 ZINC001083183192 840779508 /nfs/dbraw/zinc/77/95/08/840779508.db2.gz SBJFXYPMPWSZSA-FGTMMUONSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@@H]32)CC1 ZINC001083183193 840779593 /nfs/dbraw/zinc/77/95/93/840779593.db2.gz SBJFXYPMPWSZSA-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)CC1 ZINC001083183233 840780549 /nfs/dbraw/zinc/78/05/49/840780549.db2.gz UMCHXCBYQTUSIT-ZWKOTPCHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192844 840786930 /nfs/dbraw/zinc/78/69/30/840786930.db2.gz RECZCSAVJXZIDZ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192844 840786939 /nfs/dbraw/zinc/78/69/39/840786939.db2.gz RECZCSAVJXZIDZ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192844 840786948 /nfs/dbraw/zinc/78/69/48/840786948.db2.gz RECZCSAVJXZIDZ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192844 840786955 /nfs/dbraw/zinc/78/69/55/840786955.db2.gz RECZCSAVJXZIDZ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579728 844574450 /nfs/dbraw/zinc/57/44/50/844574450.db2.gz MNDAFTCGMYREAA-IXDOHACOSA-N 2 1 371.547 0.591 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248195 840831066 /nfs/dbraw/zinc/83/10/66/840831066.db2.gz VITICJHVEYKFTN-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248195 840831076 /nfs/dbraw/zinc/83/10/76/840831076.db2.gz VITICJHVEYKFTN-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248195 840831092 /nfs/dbraw/zinc/83/10/92/840831092.db2.gz VITICJHVEYKFTN-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274860 840857259 /nfs/dbraw/zinc/85/72/59/840857259.db2.gz CVTUSUPFFXNRFQ-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274860 840857268 /nfs/dbraw/zinc/85/72/68/840857268.db2.gz CVTUSUPFFXNRFQ-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274860 840857278 /nfs/dbraw/zinc/85/72/78/840857278.db2.gz CVTUSUPFFXNRFQ-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001102589203 844583600 /nfs/dbraw/zinc/58/36/00/844583600.db2.gz CNYYENFFAHTPKH-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001102589203 844583604 /nfs/dbraw/zinc/58/36/04/844583604.db2.gz CNYYENFFAHTPKH-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCCOC)C[C@H]2C)C1 ZINC001102589203 844583608 /nfs/dbraw/zinc/58/36/08/844583608.db2.gz CNYYENFFAHTPKH-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)C1 ZINC001102589203 844583613 /nfs/dbraw/zinc/58/36/13/844583613.db2.gz CNYYENFFAHTPKH-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601768 844594359 /nfs/dbraw/zinc/59/43/59/844594359.db2.gz OZLYBJQRIPNJLK-NUJGCVRESA-N 2 1 352.523 0.879 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)CC1 ZINC001083469657 841041383 /nfs/dbraw/zinc/04/13/83/841041383.db2.gz CIURZNITSLVLGD-NCOADZHNSA-N 2 1 357.470 0.254 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519010 841115132 /nfs/dbraw/zinc/11/51/32/841115132.db2.gz ZJHFAXCRTNATAM-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519010 841115135 /nfs/dbraw/zinc/11/51/35/841115135.db2.gz ZJHFAXCRTNATAM-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519010 841115138 /nfs/dbraw/zinc/11/51/38/841115138.db2.gz ZJHFAXCRTNATAM-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083668864 841293294 /nfs/dbraw/zinc/29/32/94/841293294.db2.gz JLHPVPPVCXCKII-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083668864 841293304 /nfs/dbraw/zinc/29/33/04/841293304.db2.gz JLHPVPPVCXCKII-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP CSc1ncc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001275795519 861193836 /nfs/dbraw/zinc/19/38/36/861193836.db2.gz GJTLHSPGJGONCR-KRWDZBQOSA-N 2 1 364.519 0.767 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083833158 841478232 /nfs/dbraw/zinc/47/82/32/841478232.db2.gz LPYLMYXNHNZUSF-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2O)cn1 ZINC001083851002 841500469 /nfs/dbraw/zinc/50/04/69/841500469.db2.gz GQXFDBVIUDHRIZ-CVEARBPZSA-N 2 1 351.495 0.656 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953101 841598450 /nfs/dbraw/zinc/59/84/50/841598450.db2.gz HFXZYDOYIADCBS-IMJJTQAJSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953101 841598460 /nfs/dbraw/zinc/59/84/60/841598460.db2.gz HFXZYDOYIADCBS-IMJJTQAJSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953101 841598472 /nfs/dbraw/zinc/59/84/72/841598472.db2.gz HFXZYDOYIADCBS-IMJJTQAJSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953101 841598477 /nfs/dbraw/zinc/59/84/77/841598477.db2.gz HFXZYDOYIADCBS-IMJJTQAJSA-N 2 1 352.504 0.763 20 0 FCADMP CC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833365 861218689 /nfs/dbraw/zinc/21/86/89/861218689.db2.gz CIULDASTJJPPSJ-DNVCBOLYSA-N 2 1 351.491 0.999 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054074 841668088 /nfs/dbraw/zinc/66/80/88/841668088.db2.gz VMWBLVKMDYYGNA-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054074 841668091 /nfs/dbraw/zinc/66/80/91/841668091.db2.gz VMWBLVKMDYYGNA-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054074 841668094 /nfs/dbraw/zinc/66/80/94/841668094.db2.gz VMWBLVKMDYYGNA-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078223 841687656 /nfs/dbraw/zinc/68/76/56/841687656.db2.gz RAMJFCLBYXTFPH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078223 841687662 /nfs/dbraw/zinc/68/76/62/841687662.db2.gz RAMJFCLBYXTFPH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078223 841687671 /nfs/dbraw/zinc/68/76/71/841687671.db2.gz RAMJFCLBYXTFPH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078223 841687678 /nfs/dbraw/zinc/68/76/78/841687678.db2.gz RAMJFCLBYXTFPH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001084091982 841700271 /nfs/dbraw/zinc/70/02/71/841700271.db2.gz ZSKQBPDFVUBFCQ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001084091982 841700277 /nfs/dbraw/zinc/70/02/77/841700277.db2.gz ZSKQBPDFVUBFCQ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001084091982 841700282 /nfs/dbraw/zinc/70/02/82/841700282.db2.gz ZSKQBPDFVUBFCQ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084449223 841797719 /nfs/dbraw/zinc/79/77/19/841797719.db2.gz WIYSIJQTCRTVES-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084449223 841797724 /nfs/dbraw/zinc/79/77/24/841797724.db2.gz WIYSIJQTCRTVES-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275878658 861240273 /nfs/dbraw/zinc/24/02/73/861240273.db2.gz MJZYLPOGGZZUJZ-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275878658 861240289 /nfs/dbraw/zinc/24/02/89/861240289.db2.gz MJZYLPOGGZZUJZ-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001275878658 861240306 /nfs/dbraw/zinc/24/03/06/861240306.db2.gz MJZYLPOGGZZUJZ-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001275878658 861240322 /nfs/dbraw/zinc/24/03/22/861240322.db2.gz MJZYLPOGGZZUJZ-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939178 841960753 /nfs/dbraw/zinc/96/07/53/841960753.db2.gz VOWYTMFGWRIUQC-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939178 841960761 /nfs/dbraw/zinc/96/07/61/841960761.db2.gz VOWYTMFGWRIUQC-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939178 841960766 /nfs/dbraw/zinc/96/07/66/841960766.db2.gz VOWYTMFGWRIUQC-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939178 841960772 /nfs/dbraw/zinc/96/07/72/841960772.db2.gz VOWYTMFGWRIUQC-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033548 841995336 /nfs/dbraw/zinc/99/53/36/841995336.db2.gz MORTYGGTLJYEIU-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033548 841995343 /nfs/dbraw/zinc/99/53/43/841995343.db2.gz MORTYGGTLJYEIU-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033548 841995348 /nfs/dbraw/zinc/99/53/48/841995348.db2.gz MORTYGGTLJYEIU-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033548 841995355 /nfs/dbraw/zinc/99/53/55/841995355.db2.gz MORTYGGTLJYEIU-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC001085159084 842030093 /nfs/dbraw/zinc/03/00/93/842030093.db2.gz HICOTFBESHGSRL-OAGGEKHMSA-N 2 1 369.897 0.884 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC001085159084 842030099 /nfs/dbraw/zinc/03/00/99/842030099.db2.gz HICOTFBESHGSRL-OAGGEKHMSA-N 2 1 369.897 0.884 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001085201939 842042568 /nfs/dbraw/zinc/04/25/68/842042568.db2.gz GQZCHRIJGQZBPO-KLHDSHLOSA-N 2 1 351.495 0.369 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085333147 842079195 /nfs/dbraw/zinc/07/91/95/842079195.db2.gz BTMBJJXLSYIHSH-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085429339 842103082 /nfs/dbraw/zinc/10/30/82/842103082.db2.gz OIABUEMZKPCKSJ-OAGGEKHMSA-N 2 1 350.467 0.016 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085429339 842103089 /nfs/dbraw/zinc/10/30/89/842103089.db2.gz OIABUEMZKPCKSJ-OAGGEKHMSA-N 2 1 350.467 0.016 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001086659306 842144134 /nfs/dbraw/zinc/14/41/34/842144134.db2.gz RKMQSMMCAMRCBH-RRFJBIMHSA-N 2 1 352.458 0.716 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001086665491 842145234 /nfs/dbraw/zinc/14/52/34/842145234.db2.gz GJYBMKWTBOXVJO-LZWOXQAQSA-N 2 1 350.467 0.003 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001086665491 842145249 /nfs/dbraw/zinc/14/52/49/842145249.db2.gz GJYBMKWTBOXVJO-LZWOXQAQSA-N 2 1 350.467 0.003 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665963 842147184 /nfs/dbraw/zinc/14/71/84/842147184.db2.gz VCYLWXJCDXPASY-MJBXVCDLSA-N 2 1 353.492 0.552 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665963 842147189 /nfs/dbraw/zinc/14/71/89/842147189.db2.gz VCYLWXJCDXPASY-MJBXVCDLSA-N 2 1 353.492 0.552 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086734935 842162367 /nfs/dbraw/zinc/16/23/67/842162367.db2.gz ZHDWXJWZOQTIII-XHSDSOJGSA-N 2 1 351.495 0.370 20 0 FCADMP CNC(=O)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924511 842193125 /nfs/dbraw/zinc/19/31/25/842193125.db2.gz URHIWMUHBGWKCD-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087035266 842232001 /nfs/dbraw/zinc/23/20/01/842232001.db2.gz TXHPDOPZZGTHHP-VNQPRFMTSA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087055355 842251265 /nfs/dbraw/zinc/25/12/65/842251265.db2.gz IHIPMDYXZDHAHT-RRCSTGOVSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087059001 842254522 /nfs/dbraw/zinc/25/45/22/842254522.db2.gz LKMTXOLYXPUKKS-UKRRQHHQSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087062909 842259316 /nfs/dbraw/zinc/25/93/16/842259316.db2.gz ADPQYIHXEUSJIL-FVQBIDKESA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087062859 842259736 /nfs/dbraw/zinc/25/97/36/842259736.db2.gz YJQXYIOMODPNKB-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087062859 842259749 /nfs/dbraw/zinc/25/97/49/842259749.db2.gz YJQXYIOMODPNKB-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083549 842276896 /nfs/dbraw/zinc/27/68/96/842276896.db2.gz KGBFQSSJKCXMGP-SQWLQELKSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083549 842276907 /nfs/dbraw/zinc/27/69/07/842276907.db2.gz KGBFQSSJKCXMGP-SQWLQELKSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087096404 842286656 /nfs/dbraw/zinc/28/66/56/842286656.db2.gz LLFLWIYVPUVVNT-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087096404 842286664 /nfs/dbraw/zinc/28/66/64/842286664.db2.gz LLFLWIYVPUVVNT-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001087797121 842433642 /nfs/dbraw/zinc/43/36/42/842433642.db2.gz YWKSGZKZUUMRIR-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087797121 842433649 /nfs/dbraw/zinc/43/36/49/842433649.db2.gz YWKSGZKZUUMRIR-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087797121 842433652 /nfs/dbraw/zinc/43/36/52/842433652.db2.gz YWKSGZKZUUMRIR-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966104 842481913 /nfs/dbraw/zinc/48/19/13/842481913.db2.gz LDKWRIZHPVKIGY-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986385 842491386 /nfs/dbraw/zinc/49/13/86/842491386.db2.gz JAVMCCKOOHTIIB-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986385 842491395 /nfs/dbraw/zinc/49/13/95/842491395.db2.gz JAVMCCKOOHTIIB-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986385 842491401 /nfs/dbraw/zinc/49/14/01/842491401.db2.gz JAVMCCKOOHTIIB-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP COCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012671 842499909 /nfs/dbraw/zinc/49/99/09/842499909.db2.gz WTLSXQWAOWVAQM-SJORKVTESA-N 2 1 353.507 0.772 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012696 842500218 /nfs/dbraw/zinc/50/02/18/842500218.db2.gz YAKVYGWBGLZKHW-BBWFWOEESA-N 2 1 353.507 0.506 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012697 842500482 /nfs/dbraw/zinc/50/04/82/842500482.db2.gz YAKVYGWBGLZKHW-ZACQAIPSSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088095299 842528917 /nfs/dbraw/zinc/52/89/17/842528917.db2.gz FWFDPXIJDXEMQV-OWCLPIDISA-N 2 1 359.536 0.398 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088095299 842528920 /nfs/dbraw/zinc/52/89/20/842528920.db2.gz FWFDPXIJDXEMQV-OWCLPIDISA-N 2 1 359.536 0.398 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107065 842533745 /nfs/dbraw/zinc/53/37/45/842533745.db2.gz FPFIQEQPWRIYOA-PMPSAXMXSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107065 842533749 /nfs/dbraw/zinc/53/37/49/842533749.db2.gz FPFIQEQPWRIYOA-PMPSAXMXSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107065 842533752 /nfs/dbraw/zinc/53/37/52/842533752.db2.gz FPFIQEQPWRIYOA-PMPSAXMXSA-N 2 1 350.507 0.763 20 0 FCADMP COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154297 842546686 /nfs/dbraw/zinc/54/66/86/842546686.db2.gz GGYFIOAHZPKBBT-BBWFWOEESA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC001088952443 842726326 /nfs/dbraw/zinc/72/63/26/842726326.db2.gz QGLIBDIYILGZRG-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC001088952443 842726331 /nfs/dbraw/zinc/72/63/31/842726331.db2.gz QGLIBDIYILGZRG-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054066 842762694 /nfs/dbraw/zinc/76/26/94/842762694.db2.gz YXIRSNFONLQQSF-KBMXLJTQSA-N 2 1 352.504 0.985 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054066 842762704 /nfs/dbraw/zinc/76/27/04/842762704.db2.gz YXIRSNFONLQQSF-KBMXLJTQSA-N 2 1 352.504 0.985 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054066 842762710 /nfs/dbraw/zinc/76/27/10/842762710.db2.gz YXIRSNFONLQQSF-KBMXLJTQSA-N 2 1 352.504 0.985 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054066 842762730 /nfs/dbraw/zinc/76/27/30/842762730.db2.gz YXIRSNFONLQQSF-KBMXLJTQSA-N 2 1 352.504 0.985 20 0 FCADMP COCc1noc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001091035964 842935805 /nfs/dbraw/zinc/93/58/05/842935805.db2.gz OWUOQXPNIRETQQ-BLYZHGLHSA-N 2 1 351.451 0.541 20 0 FCADMP COCc1noc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001091035964 842935812 /nfs/dbraw/zinc/93/58/12/842935812.db2.gz OWUOQXPNIRETQQ-BLYZHGLHSA-N 2 1 351.451 0.541 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565340 843043075 /nfs/dbraw/zinc/04/30/75/843043075.db2.gz LNAJIRDBVXLQCS-HFTRVMKXSA-N 2 1 364.515 0.797 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565340 843043087 /nfs/dbraw/zinc/04/30/87/843043087.db2.gz LNAJIRDBVXLQCS-HFTRVMKXSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565340 843043100 /nfs/dbraw/zinc/04/31/00/843043100.db2.gz LNAJIRDBVXLQCS-HFTRVMKXSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565340 843043114 /nfs/dbraw/zinc/04/31/14/843043114.db2.gz LNAJIRDBVXLQCS-HFTRVMKXSA-N 2 1 364.515 0.797 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743878 843084909 /nfs/dbraw/zinc/08/49/09/843084909.db2.gz ZKOBOLLPRACKJR-PBHICJAKSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743878 843084925 /nfs/dbraw/zinc/08/49/25/843084925.db2.gz ZKOBOLLPRACKJR-PBHICJAKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743878 843084940 /nfs/dbraw/zinc/08/49/40/843084940.db2.gz ZKOBOLLPRACKJR-PBHICJAKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743878 843084953 /nfs/dbraw/zinc/08/49/53/843084953.db2.gz ZKOBOLLPRACKJR-PBHICJAKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CCCF)C[C@@]2(C)C1 ZINC001091737133 843085535 /nfs/dbraw/zinc/08/55/35/843085535.db2.gz JJOYQGFDANRDEB-NUJGCVRESA-N 2 1 351.470 0.953 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@@H+](CCCF)C[C@@]2(C)C1 ZINC001091737133 843085549 /nfs/dbraw/zinc/08/55/49/843085549.db2.gz JJOYQGFDANRDEB-NUJGCVRESA-N 2 1 351.470 0.953 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091759063 843088831 /nfs/dbraw/zinc/08/88/31/843088831.db2.gz ZCLVIMDACFECHI-VYDXJSESSA-N 2 1 359.536 0.398 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091759063 843088834 /nfs/dbraw/zinc/08/88/34/843088834.db2.gz ZCLVIMDACFECHI-VYDXJSESSA-N 2 1 359.536 0.398 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788419 843096836 /nfs/dbraw/zinc/09/68/36/843096836.db2.gz ZBNBCHUZBWVBCG-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788419 843096841 /nfs/dbraw/zinc/09/68/41/843096841.db2.gz ZBNBCHUZBWVBCG-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788419 843096851 /nfs/dbraw/zinc/09/68/51/843096851.db2.gz ZBNBCHUZBWVBCG-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091788419 843096858 /nfs/dbraw/zinc/09/68/58/843096858.db2.gz ZBNBCHUZBWVBCG-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524128 843229617 /nfs/dbraw/zinc/22/96/17/843229617.db2.gz RPUFUZHVMGDZQC-IIAWOOMASA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524128 843229626 /nfs/dbraw/zinc/22/96/26/843229626.db2.gz RPUFUZHVMGDZQC-IIAWOOMASA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccns2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092524128 843229636 /nfs/dbraw/zinc/22/96/36/843229636.db2.gz RPUFUZHVMGDZQC-IIAWOOMASA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccns2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092524128 843229646 /nfs/dbraw/zinc/22/96/46/843229646.db2.gz RPUFUZHVMGDZQC-IIAWOOMASA-N 2 1 352.504 0.700 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225544 843413100 /nfs/dbraw/zinc/41/31/00/843413100.db2.gz MYLAVEJPNNUDFY-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225544 843413103 /nfs/dbraw/zinc/41/31/03/843413103.db2.gz MYLAVEJPNNUDFY-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001093225544 843413106 /nfs/dbraw/zinc/41/31/06/843413106.db2.gz MYLAVEJPNNUDFY-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093285537 843420764 /nfs/dbraw/zinc/42/07/64/843420764.db2.gz QTYVXHYCKMXJCJ-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001093690641 843455514 /nfs/dbraw/zinc/45/55/14/843455514.db2.gz BEJVXGFQRBCYEH-CPUCHLNUSA-N 2 1 350.438 0.735 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001093690641 843455520 /nfs/dbraw/zinc/45/55/20/843455520.db2.gz BEJVXGFQRBCYEH-CPUCHLNUSA-N 2 1 350.438 0.735 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690217 843455831 /nfs/dbraw/zinc/45/58/31/843455831.db2.gz NFCYABDETGGICV-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690217 843455838 /nfs/dbraw/zinc/45/58/38/843455838.db2.gz NFCYABDETGGICV-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857783 843479759 /nfs/dbraw/zinc/47/97/59/843479759.db2.gz YAMMJOUZGMNIFZ-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857783 843479761 /nfs/dbraw/zinc/47/97/61/843479761.db2.gz YAMMJOUZGMNIFZ-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](C)C2)C1 ZINC001093992610 843500657 /nfs/dbraw/zinc/50/06/57/843500657.db2.gz XSGFXSYRAMCPQW-INMHGKMJSA-N 2 1 350.463 0.968 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](C)C2)C1 ZINC001093992610 843500662 /nfs/dbraw/zinc/50/06/62/843500662.db2.gz XSGFXSYRAMCPQW-INMHGKMJSA-N 2 1 350.463 0.968 20 0 FCADMP COCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001276369578 861433296 /nfs/dbraw/zinc/43/32/96/861433296.db2.gz WFXNLLIZLQLPCZ-GOSISDBHSA-N 2 1 350.463 0.861 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095903666 843764286 /nfs/dbraw/zinc/76/42/86/843764286.db2.gz GIRAKKBIESNGSN-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095903666 843764291 /nfs/dbraw/zinc/76/42/91/843764291.db2.gz GIRAKKBIESNGSN-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001095903666 843764295 /nfs/dbraw/zinc/76/42/95/843764295.db2.gz GIRAKKBIESNGSN-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001095903666 843764300 /nfs/dbraw/zinc/76/43/00/843764300.db2.gz GIRAKKBIESNGSN-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371458 843911080 /nfs/dbraw/zinc/91/10/80/843911080.db2.gz RNOKXPROMWWXIS-JFIYKMOQSA-N 2 1 355.523 0.773 20 0 FCADMP C[C@@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371458 843911085 /nfs/dbraw/zinc/91/10/85/843911085.db2.gz RNOKXPROMWWXIS-JFIYKMOQSA-N 2 1 355.523 0.773 20 0 FCADMP C[C@@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371458 843911092 /nfs/dbraw/zinc/91/10/92/843911092.db2.gz RNOKXPROMWWXIS-JFIYKMOQSA-N 2 1 355.523 0.773 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099028093 843956857 /nfs/dbraw/zinc/95/68/57/843956857.db2.gz RYXFRWGMWXMVLE-DOXZYTNZSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099028093 843956859 /nfs/dbraw/zinc/95/68/59/843956859.db2.gz RYXFRWGMWXMVLE-DOXZYTNZSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099028093 843956861 /nfs/dbraw/zinc/95/68/61/843956861.db2.gz RYXFRWGMWXMVLE-DOXZYTNZSA-N 2 1 350.507 0.953 20 0 FCADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099284164 844003253 /nfs/dbraw/zinc/00/32/53/844003253.db2.gz RVDLBRDHJCPBGN-UNOFRPGUSA-N 2 1 365.371 0.798 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099284164 844003256 /nfs/dbraw/zinc/00/32/56/844003256.db2.gz RVDLBRDHJCPBGN-UNOFRPGUSA-N 2 1 365.371 0.798 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103084049 844697401 /nfs/dbraw/zinc/69/74/01/844697401.db2.gz VYWXIXIPIZSYMH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083665 844697718 /nfs/dbraw/zinc/69/77/18/844697718.db2.gz CNFFGCDWEJHHIF-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141417 844706793 /nfs/dbraw/zinc/70/67/93/844706793.db2.gz DYSYSCVJYNGPOS-HZPDHXFCSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148247 844708667 /nfs/dbraw/zinc/70/86/67/844708667.db2.gz TUHTVKWHJCBCTD-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148247 844708677 /nfs/dbraw/zinc/70/86/77/844708677.db2.gz TUHTVKWHJCBCTD-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148247 844708682 /nfs/dbraw/zinc/70/86/82/844708682.db2.gz TUHTVKWHJCBCTD-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185663 844718731 /nfs/dbraw/zinc/71/87/31/844718731.db2.gz JQOLAGIUTFGMMP-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398180 844751196 /nfs/dbraw/zinc/75/11/96/844751196.db2.gz GPMSKUGHRCUYCX-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396837 844751266 /nfs/dbraw/zinc/75/12/66/844751266.db2.gz LZDXGBCOGPZKLI-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396837 844751272 /nfs/dbraw/zinc/75/12/72/844751272.db2.gz LZDXGBCOGPZKLI-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438518 844758665 /nfs/dbraw/zinc/75/86/65/844758665.db2.gz NQROJWZIVCKYRW-ZACQAIPSSA-N 2 1 355.523 0.800 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438518 844758670 /nfs/dbraw/zinc/75/86/70/844758670.db2.gz NQROJWZIVCKYRW-ZACQAIPSSA-N 2 1 355.523 0.800 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438518 844758672 /nfs/dbraw/zinc/75/86/72/844758672.db2.gz NQROJWZIVCKYRW-ZACQAIPSSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520406 844771706 /nfs/dbraw/zinc/77/17/06/844771706.db2.gz MFQSGTNHSLKMCJ-OWCLPIDISA-N 2 1 351.495 0.513 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612615 844787297 /nfs/dbraw/zinc/78/72/97/844787297.db2.gz LYOBTEAAUPEQBH-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612615 844787307 /nfs/dbraw/zinc/78/73/07/844787307.db2.gz LYOBTEAAUPEQBH-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612615 844787315 /nfs/dbraw/zinc/78/73/15/844787315.db2.gz LYOBTEAAUPEQBH-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103642938 844793668 /nfs/dbraw/zinc/79/36/68/844793668.db2.gz BBXISGKSCNZKGO-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103642938 844793674 /nfs/dbraw/zinc/79/36/74/844793674.db2.gz BBXISGKSCNZKGO-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103642938 844793681 /nfs/dbraw/zinc/79/36/81/844793681.db2.gz BBXISGKSCNZKGO-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643976 844794167 /nfs/dbraw/zinc/79/41/67/844794167.db2.gz ZVCHBMCDGLTVDS-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643976 844794173 /nfs/dbraw/zinc/79/41/73/844794173.db2.gz ZVCHBMCDGLTVDS-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643976 844794177 /nfs/dbraw/zinc/79/41/77/844794177.db2.gz ZVCHBMCDGLTVDS-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721627 844807732 /nfs/dbraw/zinc/80/77/32/844807732.db2.gz ZYAMMBDCUOSGFE-OAGGEKHMSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721627 844807740 /nfs/dbraw/zinc/80/77/40/844807740.db2.gz ZYAMMBDCUOSGFE-OAGGEKHMSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721627 844807746 /nfs/dbraw/zinc/80/77/46/844807746.db2.gz ZYAMMBDCUOSGFE-OAGGEKHMSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCOC1CCC1 ZINC001104033775 844856448 /nfs/dbraw/zinc/85/64/48/844856448.db2.gz GXPOPKXSADSGPQ-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCOC1CCC1 ZINC001104033775 844856458 /nfs/dbraw/zinc/85/64/58/844856458.db2.gz GXPOPKXSADSGPQ-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104213659 844877777 /nfs/dbraw/zinc/87/77/77/844877777.db2.gz JRXUYOCQWQIMLZ-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001104213527 844877814 /nfs/dbraw/zinc/87/78/14/844877814.db2.gz CGVKGFJZWYYGAO-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP CCCCN1C[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630441 861507866 /nfs/dbraw/zinc/50/78/66/861507866.db2.gz XCZLYJUSDXJZCJ-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)CC1 ZINC001276636135 861508517 /nfs/dbraw/zinc/50/85/17/861508517.db2.gz JQGRSXOIKNRBBU-IBGZPJMESA-N 2 1 350.507 0.480 20 0 FCADMP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683928 844932256 /nfs/dbraw/zinc/93/22/56/844932256.db2.gz VLHJNSYYWUJGHY-BRWVUGGUSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001104678777 844932762 /nfs/dbraw/zinc/93/27/62/844932762.db2.gz BIMYVDLSZFVDKN-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001104872529 844954146 /nfs/dbraw/zinc/95/41/46/844954146.db2.gz MISILSVMFQQHNY-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001105010303 844968940 /nfs/dbraw/zinc/96/89/40/844968940.db2.gz GPRBNVDGIPSMSB-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243959 844984390 /nfs/dbraw/zinc/98/43/90/844984390.db2.gz MJKQKSYJPFTYGK-XJKCOSOUSA-N 2 1 352.458 0.839 20 0 FCADMP C[C@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243954 844984519 /nfs/dbraw/zinc/98/45/19/844984519.db2.gz MJKQKSYJPFTYGK-WOSRLPQWSA-N 2 1 352.458 0.839 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CCCCCC(N)=O)C2)C1=O ZINC001276670704 861525729 /nfs/dbraw/zinc/52/57/29/861525729.db2.gz KBXWXCJDPOIILG-SFHVURJKSA-N 2 1 352.479 0.435 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001105946286 845064737 /nfs/dbraw/zinc/06/47/37/845064737.db2.gz PLWGJQLPFZAZRF-JHJVBQTASA-N 2 1 366.491 0.255 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001105945323 845065214 /nfs/dbraw/zinc/06/52/14/845065214.db2.gz SYGPCYJWFLJNHD-MGPQQGTHSA-N 2 1 365.503 0.860 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC001276678088 861532220 /nfs/dbraw/zinc/53/22/20/861532220.db2.gz KATDDVMJANADEW-IBGZPJMESA-N 2 1 350.507 0.875 20 0 FCADMP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245934 845141751 /nfs/dbraw/zinc/14/17/51/845141751.db2.gz GJJFZOBVCIMUCT-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245880 845141796 /nfs/dbraw/zinc/14/17/96/845141796.db2.gz FNAWJICZUJHMHY-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106570983 845196739 /nfs/dbraw/zinc/19/67/39/845196739.db2.gz IGLSLHHNKUBTLL-FGTMMUONSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106664874 845218253 /nfs/dbraw/zinc/21/82/53/845218253.db2.gz BLLKFJCTNLFDPJ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106980778 845299221 /nfs/dbraw/zinc/29/92/21/845299221.db2.gz AVRYPFUGPPDOPB-FVQBIDKESA-N 2 1 366.531 0.854 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986587 845301311 /nfs/dbraw/zinc/30/13/11/845301311.db2.gz WLXFQUGGXWWYJG-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439086 845373111 /nfs/dbraw/zinc/37/31/11/845373111.db2.gz RBDGVHMYYXGSRE-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439086 845373115 /nfs/dbraw/zinc/37/31/15/845373115.db2.gz RBDGVHMYYXGSRE-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439086 845373117 /nfs/dbraw/zinc/37/31/17/845373117.db2.gz RBDGVHMYYXGSRE-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472896 845382499 /nfs/dbraw/zinc/38/24/99/845382499.db2.gz PDBFKXVTCHGJIG-JFIYKMOQSA-N 2 1 350.463 0.560 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472896 845382510 /nfs/dbraw/zinc/38/25/10/845382510.db2.gz PDBFKXVTCHGJIG-JFIYKMOQSA-N 2 1 350.463 0.560 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107500698 845385929 /nfs/dbraw/zinc/38/59/29/845385929.db2.gz OLNLKTAYNGJGNT-SFNKJDCFSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107500698 845385939 /nfs/dbraw/zinc/38/59/39/845385939.db2.gz OLNLKTAYNGJGNT-SFNKJDCFSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107500698 845385949 /nfs/dbraw/zinc/38/59/49/845385949.db2.gz OLNLKTAYNGJGNT-SFNKJDCFSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107522581 845389554 /nfs/dbraw/zinc/38/95/54/845389554.db2.gz JCZDLCRBCXCYCC-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568188 845399859 /nfs/dbraw/zinc/39/98/59/845399859.db2.gz UPUSONLMSNDQNK-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608443 845408084 /nfs/dbraw/zinc/40/80/84/845408084.db2.gz RQOGQMFSOVVGMT-JFIYKMOQSA-N 2 1 351.491 0.450 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107615049 845409086 /nfs/dbraw/zinc/40/90/86/845409086.db2.gz RJYBLXNESZKYAG-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107615049 845409089 /nfs/dbraw/zinc/40/90/89/845409089.db2.gz RJYBLXNESZKYAG-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107615049 845409093 /nfs/dbraw/zinc/40/90/93/845409093.db2.gz RJYBLXNESZKYAG-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107615049 845409100 /nfs/dbraw/zinc/40/91/00/845409100.db2.gz RJYBLXNESZKYAG-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632167 845412440 /nfs/dbraw/zinc/41/24/40/845412440.db2.gz UDXNLZXHPAIZAG-GPMSIDNRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632167 845412444 /nfs/dbraw/zinc/41/24/44/845412444.db2.gz UDXNLZXHPAIZAG-GPMSIDNRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632167 845412448 /nfs/dbraw/zinc/41/24/48/845412448.db2.gz UDXNLZXHPAIZAG-GPMSIDNRSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632091 845412462 /nfs/dbraw/zinc/41/24/62/845412462.db2.gz PZPHILIECKZCNQ-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632091 845412465 /nfs/dbraw/zinc/41/24/65/845412465.db2.gz PZPHILIECKZCNQ-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632091 845412470 /nfs/dbraw/zinc/41/24/70/845412470.db2.gz PZPHILIECKZCNQ-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756261 861581310 /nfs/dbraw/zinc/58/13/10/861581310.db2.gz LKCVKOKVORZDNU-CRAIPNDOSA-N 2 1 353.463 0.193 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756261 861581322 /nfs/dbraw/zinc/58/13/22/861581322.db2.gz LKCVKOKVORZDNU-CRAIPNDOSA-N 2 1 353.463 0.193 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401842 845645270 /nfs/dbraw/zinc/64/52/70/845645270.db2.gz FLCVHTLMPQUDFC-MUQADHOPSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401842 845645278 /nfs/dbraw/zinc/64/52/78/845645278.db2.gz FLCVHTLMPQUDFC-MUQADHOPSA-N 2 1 350.507 0.915 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001109464041 845666773 /nfs/dbraw/zinc/66/67/73/845666773.db2.gz IUJKOCDROKABSJ-PMPSAXMXSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001109464041 845666780 /nfs/dbraw/zinc/66/67/80/845666780.db2.gz IUJKOCDROKABSJ-PMPSAXMXSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109464041 845666789 /nfs/dbraw/zinc/66/67/89/845666789.db2.gz IUJKOCDROKABSJ-PMPSAXMXSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001109464041 845666791 /nfs/dbraw/zinc/66/67/91/845666791.db2.gz IUJKOCDROKABSJ-PMPSAXMXSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109653683 845705754 /nfs/dbraw/zinc/70/57/54/845705754.db2.gz BYUOTJIPSHAGNP-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109653683 845705760 /nfs/dbraw/zinc/70/57/60/845705760.db2.gz BYUOTJIPSHAGNP-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001109674029 845711023 /nfs/dbraw/zinc/71/10/23/845711023.db2.gz YBEYWEKNTAQKLF-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001109674029 845711031 /nfs/dbraw/zinc/71/10/31/845711031.db2.gz YBEYWEKNTAQKLF-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001109673333 845711573 /nfs/dbraw/zinc/71/15/73/845711573.db2.gz IZVHKMNZHKYWND-RFGFWPKPSA-N 2 1 367.412 0.599 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001109688556 845714441 /nfs/dbraw/zinc/71/44/41/845714441.db2.gz VNGHYXDLYLDTKE-LTIDMASMSA-N 2 1 350.507 0.820 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001109688556 845714442 /nfs/dbraw/zinc/71/44/42/845714442.db2.gz VNGHYXDLYLDTKE-LTIDMASMSA-N 2 1 350.507 0.820 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109773092 845731438 /nfs/dbraw/zinc/73/14/38/845731438.db2.gz FKCPCAJUCWFRJG-PMPSAXMXSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109773092 845731444 /nfs/dbraw/zinc/73/14/44/845731444.db2.gz FKCPCAJUCWFRJG-PMPSAXMXSA-N 2 1 350.463 0.737 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918585 845760478 /nfs/dbraw/zinc/76/04/78/845760478.db2.gz PSEULOQOTFHLQP-BDXSIMOUSA-N 2 1 353.507 0.836 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159792 845808460 /nfs/dbraw/zinc/80/84/60/845808460.db2.gz WSDFFLNJNVIIJO-PMPSAXMXSA-N 2 1 353.511 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159792 845808474 /nfs/dbraw/zinc/80/84/74/845808474.db2.gz WSDFFLNJNVIIJO-PMPSAXMXSA-N 2 1 353.511 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159792 845808486 /nfs/dbraw/zinc/80/84/86/845808486.db2.gz WSDFFLNJNVIIJO-PMPSAXMXSA-N 2 1 353.511 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159792 845808492 /nfs/dbraw/zinc/80/84/92/845808492.db2.gz WSDFFLNJNVIIJO-PMPSAXMXSA-N 2 1 353.511 0.756 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798136 861612896 /nfs/dbraw/zinc/61/28/96/861612896.db2.gz AYKDBNXPTOTROQ-QAPCUYQASA-N 2 1 357.495 0.027 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001110693310 845949988 /nfs/dbraw/zinc/94/99/88/845949988.db2.gz GKWKKHMMJPJRON-CBZIJGRNSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001110693310 845949992 /nfs/dbraw/zinc/94/99/92/845949992.db2.gz GKWKKHMMJPJRON-CBZIJGRNSA-N 2 1 350.507 0.915 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110981071 846007475 /nfs/dbraw/zinc/00/74/75/846007475.db2.gz HTZMNXOZXIPVKK-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110981071 846007477 /nfs/dbraw/zinc/00/74/77/846007477.db2.gz HTZMNXOZXIPVKK-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277475 846076009 /nfs/dbraw/zinc/07/60/09/846076009.db2.gz UCVXGXSRUUMJOR-OAGGEKHMSA-N 2 1 354.495 0.155 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277475 846076012 /nfs/dbraw/zinc/07/60/12/846076012.db2.gz UCVXGXSRUUMJOR-OAGGEKHMSA-N 2 1 354.495 0.155 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753286 846191527 /nfs/dbraw/zinc/19/15/27/846191527.db2.gz QFNHIQHBZMWHMR-GGXPGOJBSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001111753286 846191532 /nfs/dbraw/zinc/19/15/32/846191532.db2.gz QFNHIQHBZMWHMR-GGXPGOJBSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001111753286 846191535 /nfs/dbraw/zinc/19/15/35/846191535.db2.gz QFNHIQHBZMWHMR-GGXPGOJBSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753167 846191821 /nfs/dbraw/zinc/19/18/21/846191821.db2.gz FQONTRUHSQYYDV-OLMMMNRUSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753167 846191828 /nfs/dbraw/zinc/19/18/28/846191828.db2.gz FQONTRUHSQYYDV-OLMMMNRUSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753167 846191837 /nfs/dbraw/zinc/19/18/37/846191837.db2.gz FQONTRUHSQYYDV-OLMMMNRUSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753167 846191843 /nfs/dbraw/zinc/19/18/43/846191843.db2.gz FQONTRUHSQYYDV-OLMMMNRUSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2)[NH+](C)C ZINC001111788628 846205942 /nfs/dbraw/zinc/20/59/42/846205942.db2.gz IKMGLDKHFGENCJ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855952 846231264 /nfs/dbraw/zinc/23/12/64/846231264.db2.gz UDOCHRWVMXFMQF-KXBFYZLASA-N 2 1 350.507 0.777 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111857861 846232936 /nfs/dbraw/zinc/23/29/36/846232936.db2.gz BXPVHZFGYOZNSF-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111938122 846267483 /nfs/dbraw/zinc/26/74/83/846267483.db2.gz MCQRUEBWAFJPCK-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111938122 846267496 /nfs/dbraw/zinc/26/74/96/846267496.db2.gz MCQRUEBWAFJPCK-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111938122 846267511 /nfs/dbraw/zinc/26/75/11/846267511.db2.gz MCQRUEBWAFJPCK-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111938122 846267524 /nfs/dbraw/zinc/26/75/24/846267524.db2.gz MCQRUEBWAFJPCK-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC001111938376 846269870 /nfs/dbraw/zinc/26/98/70/846269870.db2.gz YLQFKPYOMPXZDK-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC001111939743 846269970 /nfs/dbraw/zinc/26/99/70/846269970.db2.gz PTGPKAQCXKZJTD-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001111947475 846271849 /nfs/dbraw/zinc/27/18/49/846271849.db2.gz KXMRTGIFSBRHCN-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111952584 846273688 /nfs/dbraw/zinc/27/36/88/846273688.db2.gz PCUUCKFEAWPJNZ-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111952584 846273698 /nfs/dbraw/zinc/27/36/98/846273698.db2.gz PCUUCKFEAWPJNZ-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111952584 846273708 /nfs/dbraw/zinc/27/37/08/846273708.db2.gz PCUUCKFEAWPJNZ-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111952554 846274647 /nfs/dbraw/zinc/27/46/47/846274647.db2.gz NQVZKMBRVOEXON-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111952554 846274656 /nfs/dbraw/zinc/27/46/56/846274656.db2.gz NQVZKMBRVOEXON-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111952554 846274664 /nfs/dbraw/zinc/27/46/64/846274664.db2.gz NQVZKMBRVOEXON-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111952554 846274674 /nfs/dbraw/zinc/27/46/74/846274674.db2.gz NQVZKMBRVOEXON-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC1CC1)C2 ZINC001112004457 846290597 /nfs/dbraw/zinc/29/05/97/846290597.db2.gz CXKOUQOYURLXAJ-VCBZYWHSSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001112004457 846290605 /nfs/dbraw/zinc/29/06/05/846290605.db2.gz CXKOUQOYURLXAJ-VCBZYWHSSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001112004457 846290613 /nfs/dbraw/zinc/29/06/13/846290613.db2.gz CXKOUQOYURLXAJ-VCBZYWHSSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001112009470 846294206 /nfs/dbraw/zinc/29/42/06/846294206.db2.gz DTSQSVKIMSRQER-BQFCYCMXSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001112009470 846294216 /nfs/dbraw/zinc/29/42/16/846294216.db2.gz DTSQSVKIMSRQER-BQFCYCMXSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001112009470 846294227 /nfs/dbraw/zinc/29/42/27/846294227.db2.gz DTSQSVKIMSRQER-BQFCYCMXSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001112009470 846294233 /nfs/dbraw/zinc/29/42/33/846294233.db2.gz DTSQSVKIMSRQER-BQFCYCMXSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070774 846349347 /nfs/dbraw/zinc/34/93/47/846349347.db2.gz FEMVZWBSBDYPRJ-JHJVBQTASA-N 2 1 364.412 0.584 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070774 846349354 /nfs/dbraw/zinc/34/93/54/846349354.db2.gz FEMVZWBSBDYPRJ-JHJVBQTASA-N 2 1 364.412 0.584 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112110638 846390647 /nfs/dbraw/zinc/39/06/47/846390647.db2.gz ZDLFCIKBSWMFOG-GRYCIOLGSA-N 2 1 370.391 0.391 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114349 846394176 /nfs/dbraw/zinc/39/41/76/846394176.db2.gz MZVMOOGPCALKOU-NQBHXWOUSA-N 2 1 350.385 0.052 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112120457 846398726 /nfs/dbraw/zinc/39/87/26/846398726.db2.gz UWECFTNZBMCPFX-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001112120093 846399039 /nfs/dbraw/zinc/39/90/39/846399039.db2.gz CMPDGKCDPHWLOJ-JHJVBQTASA-N 2 1 364.412 0.584 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001112166206 846429495 /nfs/dbraw/zinc/42/94/95/846429495.db2.gz JHUKKGLKTAWGFM-YNEHKIRRSA-N 2 1 364.412 0.395 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001112166206 846429499 /nfs/dbraw/zinc/42/94/99/846429499.db2.gz JHUKKGLKTAWGFM-YNEHKIRRSA-N 2 1 364.412 0.395 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112166992 846430742 /nfs/dbraw/zinc/43/07/42/846430742.db2.gz CCKDYBKLFFUMEM-VXGBXAGGSA-N 2 1 366.428 0.689 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112166992 846430748 /nfs/dbraw/zinc/43/07/48/846430748.db2.gz CCKDYBKLFFUMEM-VXGBXAGGSA-N 2 1 366.428 0.689 20 0 FCADMP C[N@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001112167357 846431121 /nfs/dbraw/zinc/43/11/21/846431121.db2.gz LMVZNQMUMZJFNM-GHMZBOCLSA-N 2 1 352.401 0.429 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001112167357 846431125 /nfs/dbraw/zinc/43/11/25/846431125.db2.gz LMVZNQMUMZJFNM-GHMZBOCLSA-N 2 1 352.401 0.429 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001112168111 846431934 /nfs/dbraw/zinc/43/19/34/846431934.db2.gz XAHSECWEUGGZFQ-UPJWGTAASA-N 2 1 366.428 0.784 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112198135 846457007 /nfs/dbraw/zinc/45/70/07/846457007.db2.gz CNWNTCPZWNPXBG-GRYCIOLGSA-N 2 1 350.385 0.196 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112198135 846457008 /nfs/dbraw/zinc/45/70/08/846457008.db2.gz CNWNTCPZWNPXBG-GRYCIOLGSA-N 2 1 350.385 0.196 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205800 846463315 /nfs/dbraw/zinc/46/33/15/846463315.db2.gz AZYZJXDFCYRAQA-QJPTWQEYSA-N 2 1 350.385 0.005 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205800 846463316 /nfs/dbraw/zinc/46/33/16/846463316.db2.gz AZYZJXDFCYRAQA-QJPTWQEYSA-N 2 1 350.385 0.005 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112212140 846468950 /nfs/dbraw/zinc/46/89/50/846468950.db2.gz POIAIDSTQTUAOU-CHWSQXEVSA-N 2 1 362.400 0.634 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112212140 846468958 /nfs/dbraw/zinc/46/89/58/846468958.db2.gz POIAIDSTQTUAOU-CHWSQXEVSA-N 2 1 362.400 0.634 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112284882 846487489 /nfs/dbraw/zinc/48/74/89/846487489.db2.gz CMRYCWQTOKFSQN-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1 ZINC001112284957 846487678 /nfs/dbraw/zinc/48/76/78/846487678.db2.gz GCWASPSCTWIYFY-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CCC1 ZINC001112401388 846500865 /nfs/dbraw/zinc/50/08/65/846500865.db2.gz BAPOJUYSRWWTDR-LPHOPBHVSA-N 2 1 353.507 0.698 20 0 FCADMP COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112424313 846503003 /nfs/dbraw/zinc/50/30/03/846503003.db2.gz WRAPSTMCBJBYFU-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112424313 846503011 /nfs/dbraw/zinc/50/30/11/846503011.db2.gz WRAPSTMCBJBYFU-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112431650 846503797 /nfs/dbraw/zinc/50/37/97/846503797.db2.gz NGHVHIXTNUTULU-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112510946 846511536 /nfs/dbraw/zinc/51/15/36/846511536.db2.gz LXLMOTQZQIIGNT-ZMMAXQRCSA-N 2 1 353.507 0.696 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001112516308 846512609 /nfs/dbraw/zinc/51/26/09/846512609.db2.gz CSSRFRVKEQZNRL-LNLFQRSKSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001112516308 846512620 /nfs/dbraw/zinc/51/26/20/846512620.db2.gz CSSRFRVKEQZNRL-LNLFQRSKSA-N 2 1 353.507 0.960 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531681 846516642 /nfs/dbraw/zinc/51/66/42/846516642.db2.gz KZHGQIMFYSXASQ-KXBFYZLASA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112540237 846518854 /nfs/dbraw/zinc/51/88/54/846518854.db2.gz MRDJPOIMQYGRAB-BXWFABGCSA-N 2 1 350.507 0.953 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112568060 846526015 /nfs/dbraw/zinc/52/60/15/846526015.db2.gz VSQQWZUHAYEDIL-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578521 846529303 /nfs/dbraw/zinc/52/93/03/846529303.db2.gz SLRJADOQSYMVHC-BXWFABGCSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001112865272 846537044 /nfs/dbraw/zinc/53/70/44/846537044.db2.gz ZHHFIQZYAOPZLM-HZSPNIEDSA-N 2 1 367.412 0.411 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)CC[N@H+]1C ZINC001112865272 846537049 /nfs/dbraw/zinc/53/70/49/846537049.db2.gz ZHHFIQZYAOPZLM-HZSPNIEDSA-N 2 1 367.412 0.411 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[N@@H+]1C ZINC001114297974 846548790 /nfs/dbraw/zinc/54/87/90/846548790.db2.gz AEXSAHQUUPCXKK-SUJAAXHWSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001114297974 846548793 /nfs/dbraw/zinc/54/87/93/846548793.db2.gz AEXSAHQUUPCXKK-SUJAAXHWSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[NH+]1C ZINC001114297974 846548797 /nfs/dbraw/zinc/54/87/97/846548797.db2.gz AEXSAHQUUPCXKK-SUJAAXHWSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[NH+]1C ZINC001114297974 846548803 /nfs/dbraw/zinc/54/88/03/846548803.db2.gz AEXSAHQUUPCXKK-SUJAAXHWSA-N 2 1 369.531 0.198 20 0 FCADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCCCNC1=O)[C@@H]1CCCCNC1=O ZINC001116414607 846676891 /nfs/dbraw/zinc/67/68/91/846676891.db2.gz QMHDQBNNLDUKDA-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001117122030 846898746 /nfs/dbraw/zinc/89/87/46/846898746.db2.gz FNRADXBEGDAOKX-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001117122030 846898752 /nfs/dbraw/zinc/89/87/52/846898752.db2.gz FNRADXBEGDAOKX-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001117122030 846898760 /nfs/dbraw/zinc/89/87/60/846898760.db2.gz FNRADXBEGDAOKX-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001117356479 846978193 /nfs/dbraw/zinc/97/81/93/846978193.db2.gz LUNJJIXDXJXDCB-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001119467806 847852833 /nfs/dbraw/zinc/85/28/33/847852833.db2.gz CRIJBHMRXOROTF-YJBOKZPZSA-N 2 1 351.495 0.561 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119484061 847859248 /nfs/dbraw/zinc/85/92/48/847859248.db2.gz ZWZSFZDBOFCACK-INIZCTEOSA-N 2 1 355.527 0.409 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC001119600490 847906313 /nfs/dbraw/zinc/90/63/13/847906313.db2.gz JMLCRRVUUTZTMR-QGZVFWFLSA-N 2 1 350.507 0.528 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121928366 848419823 /nfs/dbraw/zinc/41/98/23/848419823.db2.gz NVYCOPKOKRUYCS-OAHLLOKOSA-N 2 1 351.495 0.275 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001121928022 848420072 /nfs/dbraw/zinc/42/00/72/848420072.db2.gz MAIVPTVUGUORRK-KURKYZTESA-N 2 1 352.523 0.677 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001123614689 848613655 /nfs/dbraw/zinc/61/36/55/848613655.db2.gz OUTDRXITMIURHG-CVEARBPZSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001123614689 848613658 /nfs/dbraw/zinc/61/36/58/848613658.db2.gz OUTDRXITMIURHG-CVEARBPZSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001123614689 848613662 /nfs/dbraw/zinc/61/36/62/848613662.db2.gz OUTDRXITMIURHG-CVEARBPZSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001123614689 848613667 /nfs/dbraw/zinc/61/36/67/848613667.db2.gz OUTDRXITMIURHG-CVEARBPZSA-N 2 1 352.479 0.751 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001123839300 848644105 /nfs/dbraw/zinc/64/41/05/848644105.db2.gz XAQGEKOIKCMAJO-ZACQAIPSSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C2CC2)C2CCCC2)CC[N@H+]1C ZINC001127643683 848729952 /nfs/dbraw/zinc/72/99/52/848729952.db2.gz GQVLCAPMVKRSBK-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001127643804 848730244 /nfs/dbraw/zinc/73/02/44/848730244.db2.gz MIJAWZXDOZRISR-GDBMZVCRSA-N 2 1 368.503 0.011 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127643852 848730457 /nfs/dbraw/zinc/73/04/57/848730457.db2.gz NZILGLQOOHBVTC-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ccc(S(C)(=O)=O)o2)CC[N@@H+]1C ZINC001127700810 848732505 /nfs/dbraw/zinc/73/25/05/848732505.db2.gz FAYPJRLBXRNQFU-UONOGXRCSA-N 2 1 357.476 0.619 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ccc(S(C)(=O)=O)o2)CC[N@H+]1C ZINC001127700810 848732517 /nfs/dbraw/zinc/73/25/17/848732517.db2.gz FAYPJRLBXRNQFU-UONOGXRCSA-N 2 1 357.476 0.619 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127705348 848733250 /nfs/dbraw/zinc/73/32/50/848733250.db2.gz ARGKSSSAYABAED-SDDRHHMPSA-N 2 1 352.401 0.490 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129030094 848798565 /nfs/dbraw/zinc/79/85/65/848798565.db2.gz QVAOBAXQWNJWGF-KFWWJZLASA-N 2 1 358.437 0.659 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219886 848819017 /nfs/dbraw/zinc/81/90/17/848819017.db2.gz MEKQGVWHHVWYFW-ZNMIVQPWSA-N 2 1 352.458 0.710 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129337434 848832545 /nfs/dbraw/zinc/83/25/45/848832545.db2.gz HNUVJHDCEPPMEJ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129337434 848832550 /nfs/dbraw/zinc/83/25/50/848832550.db2.gz HNUVJHDCEPPMEJ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384909 848837781 /nfs/dbraw/zinc/83/77/81/848837781.db2.gz BOGVUGKCLAJOKL-OAGGEKHMSA-N 2 1 352.483 0.244 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400428 848839622 /nfs/dbraw/zinc/83/96/22/848839622.db2.gz NWTLRXNYPMJQMR-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400428 848839627 /nfs/dbraw/zinc/83/96/27/848839627.db2.gz NWTLRXNYPMJQMR-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400428 848839634 /nfs/dbraw/zinc/83/96/34/848839634.db2.gz NWTLRXNYPMJQMR-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400429 848839681 /nfs/dbraw/zinc/83/96/81/848839681.db2.gz NWTLRXNYPMJQMR-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400429 848839688 /nfs/dbraw/zinc/83/96/88/848839688.db2.gz NWTLRXNYPMJQMR-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129400429 848839694 /nfs/dbraw/zinc/83/96/94/848839694.db2.gz NWTLRXNYPMJQMR-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460803 848847973 /nfs/dbraw/zinc/84/79/73/848847973.db2.gz OQJMWJFBSZOXOS-OAGGEKHMSA-N 2 1 352.483 0.385 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460803 848847975 /nfs/dbraw/zinc/84/79/75/848847975.db2.gz OQJMWJFBSZOXOS-OAGGEKHMSA-N 2 1 352.483 0.385 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460803 848847976 /nfs/dbraw/zinc/84/79/76/848847976.db2.gz OQJMWJFBSZOXOS-OAGGEKHMSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129919173 848916366 /nfs/dbraw/zinc/91/63/66/848916366.db2.gz PLPIUUZOQNSBTM-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130075623 848939259 /nfs/dbraw/zinc/93/92/59/848939259.db2.gz XIJZTOWUVKCKKG-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136935 848950636 /nfs/dbraw/zinc/95/06/36/848950636.db2.gz AAOQGYWKQBNWHV-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)c2cc(F)ccc2F)O1 ZINC001130184209 848961334 /nfs/dbraw/zinc/96/13/34/848961334.db2.gz GFVFFEFWHWMBGN-XFBWCDHKSA-N 2 1 357.401 0.423 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)c2cc(F)ccc2F)O1 ZINC001130184209 848961338 /nfs/dbraw/zinc/96/13/38/848961338.db2.gz GFVFFEFWHWMBGN-XFBWCDHKSA-N 2 1 357.401 0.423 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130717837 849028756 /nfs/dbraw/zinc/02/87/56/849028756.db2.gz UOCCMURWWXJRIN-DOTOQJQBSA-N 2 1 351.495 0.418 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)CCC)n2)O1 ZINC001130816393 849047974 /nfs/dbraw/zinc/04/79/74/849047974.db2.gz URLYTOKCWXEBBK-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001131115537 849080776 /nfs/dbraw/zinc/08/07/76/849080776.db2.gz RGYXRZVLMNBNQR-BZUAXINKSA-N 2 1 351.495 0.417 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131519111 849117084 /nfs/dbraw/zinc/11/70/84/849117084.db2.gz FXYZHJVJDBCQIB-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131587792 849127871 /nfs/dbraw/zinc/12/78/71/849127871.db2.gz AABQAHOMVCNRQH-QAPCUYQASA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131594812 849128706 /nfs/dbraw/zinc/12/87/06/849128706.db2.gz FLZJTOBJYLKSJZ-QAPCUYQASA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)on1 ZINC001136542063 849227046 /nfs/dbraw/zinc/22/70/46/849227046.db2.gz VTEBBQANRWNCNS-ZDUSSCGKSA-N 2 1 352.435 0.949 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277695618 862001701 /nfs/dbraw/zinc/00/17/01/862001701.db2.gz QEMAJYJAQAXHOL-SMDDNHRTSA-N 2 1 351.369 0.312 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC001277694499 862001926 /nfs/dbraw/zinc/00/19/26/862001926.db2.gz JZMJSZUGQIIHQO-GXTWGEPZSA-N 2 1 353.385 0.022 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC001277694499 862001935 /nfs/dbraw/zinc/00/19/35/862001935.db2.gz JZMJSZUGQIIHQO-GXTWGEPZSA-N 2 1 353.385 0.022 20 0 FCADMP CC[NH+]1CCC(C(=O)N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CC1 ZINC001146780319 849566039 /nfs/dbraw/zinc/56/60/39/849566039.db2.gz WZIPSWYJXGGLJO-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582875 849585462 /nfs/dbraw/zinc/58/54/62/849585462.db2.gz HCAFXVJOXRIUDX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582875 849585472 /nfs/dbraw/zinc/58/54/72/849585472.db2.gz HCAFXVJOXRIUDX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582875 849585479 /nfs/dbraw/zinc/58/54/79/849585479.db2.gz HCAFXVJOXRIUDX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)CCN(C(=O)CCc1ncc[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC001151275371 849682599 /nfs/dbraw/zinc/68/25/99/849682599.db2.gz WOFGUIGUEQHKAF-AWEZNQCLSA-N 2 1 356.492 0.700 20 0 FCADMP CC[N@@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451804 849746521 /nfs/dbraw/zinc/74/65/21/849746521.db2.gz JNSIQEFPAMBLTR-RBSFLKMASA-N 2 1 362.540 0.045 20 0 FCADMP CC[NH+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451804 849746529 /nfs/dbraw/zinc/74/65/29/849746529.db2.gz JNSIQEFPAMBLTR-RBSFLKMASA-N 2 1 362.540 0.045 20 0 FCADMP CC[NH+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451804 849746540 /nfs/dbraw/zinc/74/65/40/849746540.db2.gz JNSIQEFPAMBLTR-RBSFLKMASA-N 2 1 362.540 0.045 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(S(=O)(=O)NC4CC4)cn3)C2)C1 ZINC001155383872 849850648 /nfs/dbraw/zinc/85/06/48/849850648.db2.gz SWSIHYUXMBRMNE-HNNXBMFYSA-N 2 1 365.503 0.382 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032912 850014651 /nfs/dbraw/zinc/01/46/51/850014651.db2.gz XXUZIDLLKWNEMF-IEBWSBKVSA-N 2 1 351.539 0.509 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCOCCO)O1 ZINC001158124493 850019711 /nfs/dbraw/zinc/01/97/11/850019711.db2.gz PTBPNJOTRPQQOH-BRWVUGGUSA-N 2 1 357.495 0.027 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCOCCO)O1 ZINC001158124493 850019720 /nfs/dbraw/zinc/01/97/20/850019720.db2.gz PTBPNJOTRPQQOH-BRWVUGGUSA-N 2 1 357.495 0.027 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCOCCO)O1 ZINC001158124493 850019726 /nfs/dbraw/zinc/01/97/26/850019726.db2.gz PTBPNJOTRPQQOH-BRWVUGGUSA-N 2 1 357.495 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCOCCO)O1 ZINC001158124493 850019733 /nfs/dbraw/zinc/01/97/33/850019733.db2.gz PTBPNJOTRPQQOH-BRWVUGGUSA-N 2 1 357.495 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCOCCO)O1 ZINC001158124493 850019742 /nfs/dbraw/zinc/01/97/42/850019742.db2.gz PTBPNJOTRPQQOH-BRWVUGGUSA-N 2 1 357.495 0.027 20 0 FCADMP O=C(c1nnn2c1C[NH2+]CC2)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158262001 850030697 /nfs/dbraw/zinc/03/06/97/850030697.db2.gz PLTOCCRLPMKYEU-LLVKDONJSA-N 2 1 358.368 0.670 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cc(C)on2)CC[N@H+]1C ZINC001158404506 850048054 /nfs/dbraw/zinc/04/80/54/850048054.db2.gz ULRMVIVKFRVDFS-UONOGXRCSA-N 2 1 351.451 0.748 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC001158468786 850054272 /nfs/dbraw/zinc/05/42/72/850054272.db2.gz SONZNMCFWSDEFX-SUNYJGFJSA-N 2 1 367.515 0.820 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1CCC(C[NH3+])CC1)CC2 ZINC001158890207 850082594 /nfs/dbraw/zinc/08/25/94/850082594.db2.gz BOQUIUQCUGUUBD-UHFFFAOYSA-N 2 1 350.507 0.955 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cnc([C@H](C)[NH3+])s1)CC2 ZINC001158891186 850083976 /nfs/dbraw/zinc/08/39/76/850083976.db2.gz VVJSUXNORRGHDI-LBPRGKRZSA-N 2 1 365.503 0.979 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1cnc([C@H](C)[NH3+])s1)CC2 ZINC001158891186 850083986 /nfs/dbraw/zinc/08/39/86/850083986.db2.gz VVJSUXNORRGHDI-LBPRGKRZSA-N 2 1 365.503 0.979 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834254 850140089 /nfs/dbraw/zinc/14/00/89/850140089.db2.gz UGXHLAUSYMSFNX-ILXRZTDVSA-N 3 1 361.515 0.375 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834254 850140098 /nfs/dbraw/zinc/14/00/98/850140098.db2.gz UGXHLAUSYMSFNX-ILXRZTDVSA-N 2 1 361.515 0.375 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834935 850140191 /nfs/dbraw/zinc/14/01/91/850140191.db2.gz WUHBQMZEWMRRGS-RDBSUJKOSA-N 3 1 369.560 0.585 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834935 850140197 /nfs/dbraw/zinc/14/01/97/850140197.db2.gz WUHBQMZEWMRRGS-RDBSUJKOSA-N 2 1 369.560 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+]([C@H](C)C(=O)NC)CC2)CC[N@H+]1C ZINC001160168848 850156858 /nfs/dbraw/zinc/15/68/58/850156858.db2.gz AYXJESNWJFXINA-HYVNUMGLSA-N 2 1 350.507 0.990 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+]([C@H](C)C(=O)NC)CC2)CC[NH+]1C ZINC001160168848 850156863 /nfs/dbraw/zinc/15/68/63/850156863.db2.gz AYXJESNWJFXINA-HYVNUMGLSA-N 2 1 350.507 0.990 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+]([C@H](C)C(=O)NC)CC2)CC[NH+]1C ZINC001160168848 850156870 /nfs/dbraw/zinc/15/68/70/850156870.db2.gz AYXJESNWJFXINA-HYVNUMGLSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857345 850206967 /nfs/dbraw/zinc/20/69/67/850206967.db2.gz FWIZJCFYBXEVLT-HUUCEWRRSA-N 2 1 363.524 0.015 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857345 850206976 /nfs/dbraw/zinc/20/69/76/850206976.db2.gz FWIZJCFYBXEVLT-HUUCEWRRSA-N 2 1 363.524 0.015 20 0 FCADMP CCC(CC)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857986 850207229 /nfs/dbraw/zinc/20/72/29/850207229.db2.gz VKEFQXDKAIHTKV-IJEWVQPXSA-N 2 1 356.511 0.495 20 0 FCADMP CCC(CC)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857986 850207235 /nfs/dbraw/zinc/20/72/35/850207235.db2.gz VKEFQXDKAIHTKV-IJEWVQPXSA-N 2 1 356.511 0.495 20 0 FCADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857782 850207687 /nfs/dbraw/zinc/20/76/87/850207687.db2.gz QITHXWQVULESCS-RBSFLKMASA-N 2 1 356.511 0.495 20 0 FCADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857782 850207701 /nfs/dbraw/zinc/20/77/01/850207701.db2.gz QITHXWQVULESCS-RBSFLKMASA-N 2 1 356.511 0.495 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@@H]21 ZINC001161082028 850228458 /nfs/dbraw/zinc/22/84/58/850228458.db2.gz NHIDPCLGQKKFIR-AVGNSLFASA-N 2 1 364.412 0.715 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2nc(Cl)nc3c2C[NH2+]CC3)C1 ZINC001163115778 850354897 /nfs/dbraw/zinc/35/48/97/850354897.db2.gz IFOFILUXJGTPKE-LBPRGKRZSA-N 2 1 353.854 0.881 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2nc(Cl)nc3c2CC[NH2+]C3)C1 ZINC001163117466 850355648 /nfs/dbraw/zinc/35/56/48/850355648.db2.gz HHYZAYNCTXJMBG-LBPRGKRZSA-N 2 1 353.854 0.881 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001164576072 850417673 /nfs/dbraw/zinc/41/76/73/850417673.db2.gz MRIDTJUGZSCZHT-IIAWOOMASA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001164582783 850417704 /nfs/dbraw/zinc/41/77/04/850417704.db2.gz PFQNFOGIMWCNRV-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001165727546 850453837 /nfs/dbraw/zinc/45/38/37/850453837.db2.gz CTACKORVUXDFPQ-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001165727546 850453846 /nfs/dbraw/zinc/45/38/46/850453846.db2.gz CTACKORVUXDFPQ-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132958 850607595 /nfs/dbraw/zinc/60/75/95/850607595.db2.gz ANQGQABRKOTHKE-OREBXVKISA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132958 850607599 /nfs/dbraw/zinc/60/75/99/850607599.db2.gz ANQGQABRKOTHKE-OREBXVKISA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132958 850607612 /nfs/dbraw/zinc/60/76/12/850607612.db2.gz ANQGQABRKOTHKE-OREBXVKISA-N 2 1 351.491 0.998 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171486667 850685779 /nfs/dbraw/zinc/68/57/79/850685779.db2.gz MLZVUORVOQTFCZ-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171486667 850685783 /nfs/dbraw/zinc/68/57/83/850685783.db2.gz MLZVUORVOQTFCZ-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501594 850686456 /nfs/dbraw/zinc/68/64/56/850686456.db2.gz UJJFLCTXBHOSFB-BZUAXINKSA-N 2 1 356.511 0.495 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501594 850686466 /nfs/dbraw/zinc/68/64/66/850686466.db2.gz UJJFLCTXBHOSFB-BZUAXINKSA-N 2 1 356.511 0.495 20 0 FCADMP CCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498955 850687165 /nfs/dbraw/zinc/68/71/65/850687165.db2.gz DFSRHCOTFOCFSF-ARFHVFGLSA-N 2 1 356.511 0.496 20 0 FCADMP CCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498955 850687166 /nfs/dbraw/zinc/68/71/66/850687166.db2.gz DFSRHCOTFOCFSF-ARFHVFGLSA-N 2 1 356.511 0.496 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015548 850701560 /nfs/dbraw/zinc/70/15/60/850701560.db2.gz SDYIYJVYIQDGHI-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015548 850701567 /nfs/dbraw/zinc/70/15/67/850701567.db2.gz SDYIYJVYIQDGHI-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172015548 850701572 /nfs/dbraw/zinc/70/15/72/850701572.db2.gz SDYIYJVYIQDGHI-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(CS(C)(=O)=O)CCC3)cn2)CC1 ZINC001178962899 850941982 /nfs/dbraw/zinc/94/19/82/850941982.db2.gz VNLHJTJVBPHKHD-UHFFFAOYSA-N 2 1 367.519 0.533 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525603 851118010 /nfs/dbraw/zinc/11/80/10/851118010.db2.gz NNGUPDKBMOLEGP-YKTARERQSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001182677400 851190548 /nfs/dbraw/zinc/19/05/48/851190548.db2.gz ZMRKUZPRIHTYII-RBSFLKMASA-N 2 1 353.511 0.615 20 0 FCADMP CCN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958407 851631765 /nfs/dbraw/zinc/63/17/65/851631765.db2.gz UACODGBCZRRHSM-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958407 851631767 /nfs/dbraw/zinc/63/17/67/851631767.db2.gz UACODGBCZRRHSM-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958407 851631769 /nfs/dbraw/zinc/63/17/69/851631769.db2.gz UACODGBCZRRHSM-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958407 851631771 /nfs/dbraw/zinc/63/17/71/851631771.db2.gz UACODGBCZRRHSM-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958407 851631774 /nfs/dbraw/zinc/63/17/74/851631774.db2.gz UACODGBCZRRHSM-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690200 851720291 /nfs/dbraw/zinc/72/02/91/851720291.db2.gz JKKRMEOIOIBSFP-GVDBMIGSSA-N 2 1 353.507 0.791 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691274 851720484 /nfs/dbraw/zinc/72/04/84/851720484.db2.gz WTKINEYJCZTEFK-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971617 851739370 /nfs/dbraw/zinc/73/93/70/851739370.db2.gz YLLTVPAQSSBLIB-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001189055660 851746423 /nfs/dbraw/zinc/74/64/23/851746423.db2.gz YXNAWHVIJQFEQT-HRCADAONSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127523 851755743 /nfs/dbraw/zinc/75/57/43/851755743.db2.gz WYTXQCSYVXJLJH-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127523 851755747 /nfs/dbraw/zinc/75/57/47/851755747.db2.gz WYTXQCSYVXJLJH-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127523 851755757 /nfs/dbraw/zinc/75/57/57/851755757.db2.gz WYTXQCSYVXJLJH-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127523 851755766 /nfs/dbraw/zinc/75/57/66/851755766.db2.gz WYTXQCSYVXJLJH-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136423 851757496 /nfs/dbraw/zinc/75/74/96/851757496.db2.gz XQRFVIOJMMMMFD-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136423 851757499 /nfs/dbraw/zinc/75/74/99/851757499.db2.gz XQRFVIOJMMMMFD-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136423 851757504 /nfs/dbraw/zinc/75/75/04/851757504.db2.gz XQRFVIOJMMMMFD-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136423 851757507 /nfs/dbraw/zinc/75/75/07/851757507.db2.gz XQRFVIOJMMMMFD-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189143956 851758259 /nfs/dbraw/zinc/75/82/59/851758259.db2.gz DBHKJJBEHHWNAB-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189143956 851758260 /nfs/dbraw/zinc/75/82/60/851758260.db2.gz DBHKJJBEHHWNAB-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCOCC(F)F)C[C@H]21 ZINC001189424697 851789555 /nfs/dbraw/zinc/78/95/55/851789555.db2.gz CPVUYZIDGCXZKD-LSDHHAIUSA-N 2 1 361.433 0.523 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21 ZINC001189424697 851789565 /nfs/dbraw/zinc/78/95/65/851789565.db2.gz CPVUYZIDGCXZKD-LSDHHAIUSA-N 2 1 361.433 0.523 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667129 851812611 /nfs/dbraw/zinc/81/26/11/851812611.db2.gz BMPJGFFNBIEMEB-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667129 851812616 /nfs/dbraw/zinc/81/26/16/851812616.db2.gz BMPJGFFNBIEMEB-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667129 851812621 /nfs/dbraw/zinc/81/26/21/851812621.db2.gz BMPJGFFNBIEMEB-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189668891 851812645 /nfs/dbraw/zinc/81/26/45/851812645.db2.gz QGMMGDLDSGBJBE-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189668891 851812647 /nfs/dbraw/zinc/81/26/47/851812647.db2.gz QGMMGDLDSGBJBE-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189668891 851812654 /nfs/dbraw/zinc/81/26/54/851812654.db2.gz QGMMGDLDSGBJBE-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189668891 851812656 /nfs/dbraw/zinc/81/26/56/851812656.db2.gz QGMMGDLDSGBJBE-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189667233 851812967 /nfs/dbraw/zinc/81/29/67/851812967.db2.gz DRLXOUYUOYEHKB-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189667233 851812978 /nfs/dbraw/zinc/81/29/78/851812978.db2.gz DRLXOUYUOYEHKB-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189667233 851812986 /nfs/dbraw/zinc/81/29/86/851812986.db2.gz DRLXOUYUOYEHKB-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189667233 851812989 /nfs/dbraw/zinc/81/29/89/851812989.db2.gz DRLXOUYUOYEHKB-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787521 851825124 /nfs/dbraw/zinc/82/51/24/851825124.db2.gz PIWHMTXQKYSQQX-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787521 851825129 /nfs/dbraw/zinc/82/51/29/851825129.db2.gz PIWHMTXQKYSQQX-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787521 851825134 /nfs/dbraw/zinc/82/51/34/851825134.db2.gz PIWHMTXQKYSQQX-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCC3CCOCC3)C[C@H]21 ZINC001189810910 851827112 /nfs/dbraw/zinc/82/71/12/851827112.db2.gz MMYHVOWKTKYVJO-ZWKOTPCHSA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189870654 851833327 /nfs/dbraw/zinc/83/33/27/851833327.db2.gz CQLCGZVYDYYOTA-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189870654 851833334 /nfs/dbraw/zinc/83/33/34/851833334.db2.gz CQLCGZVYDYYOTA-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913483 851841687 /nfs/dbraw/zinc/84/16/87/851841687.db2.gz RZGYGHIMKQWSME-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913483 851841697 /nfs/dbraw/zinc/84/16/97/851841697.db2.gz RZGYGHIMKQWSME-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913483 851841706 /nfs/dbraw/zinc/84/17/06/851841706.db2.gz RZGYGHIMKQWSME-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001190176847 851870315 /nfs/dbraw/zinc/87/03/15/851870315.db2.gz IHROYPZDCSZWQA-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212554 851876286 /nfs/dbraw/zinc/87/62/86/851876286.db2.gz FOPZPCGGRJTXJX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001190213128 851876832 /nfs/dbraw/zinc/87/68/32/851876832.db2.gz YDTQTYURBNGKNS-ZWKOTPCHSA-N 2 1 353.507 0.794 20 0 FCADMP CC(C)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278423666 862322693 /nfs/dbraw/zinc/32/26/93/862322693.db2.gz WCJLXJYSEOQERE-HOTGVXAUSA-N 2 1 350.507 0.633 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC001278462876 862336072 /nfs/dbraw/zinc/33/60/72/862336072.db2.gz AAWYMFPYIOYCIM-IKGGRYGDSA-N 2 1 350.507 0.097 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC2CCOCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278464572 862339752 /nfs/dbraw/zinc/33/97/52/862339752.db2.gz MJBVEMGLDSRASH-LJQANCHMSA-N 2 1 352.523 0.631 20 0 FCADMP CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001193754877 852481865 /nfs/dbraw/zinc/48/18/65/852481865.db2.gz COOYILMRLBADNT-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1O ZINC001193754877 852481868 /nfs/dbraw/zinc/48/18/68/852481868.db2.gz COOYILMRLBADNT-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001193754877 852481873 /nfs/dbraw/zinc/48/18/73/852481873.db2.gz COOYILMRLBADNT-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039793 852529402 /nfs/dbraw/zinc/52/94/02/852529402.db2.gz VLYOTFBBLFFWKY-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039793 852529406 /nfs/dbraw/zinc/52/94/06/852529406.db2.gz VLYOTFBBLFFWKY-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194729363 852640333 /nfs/dbraw/zinc/64/03/33/852640333.db2.gz VKJATEIIEGCEIC-CHWSQXEVSA-N 2 1 364.368 0.322 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194729363 852640339 /nfs/dbraw/zinc/64/03/39/852640339.db2.gz VKJATEIIEGCEIC-CHWSQXEVSA-N 2 1 364.368 0.322 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001195708957 852816787 /nfs/dbraw/zinc/81/67/87/852816787.db2.gz UMBNUCGGPZALHN-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001195708957 852816792 /nfs/dbraw/zinc/81/67/92/852816792.db2.gz UMBNUCGGPZALHN-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC(=O)NCCOCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894103 852843775 /nfs/dbraw/zinc/84/37/75/852843775.db2.gz RDESJLYCKVJBMT-NVXWUHKLSA-N 2 1 354.495 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894103 852843779 /nfs/dbraw/zinc/84/37/79/852843779.db2.gz RDESJLYCKVJBMT-NVXWUHKLSA-N 2 1 354.495 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894103 852843783 /nfs/dbraw/zinc/84/37/83/852843783.db2.gz RDESJLYCKVJBMT-NVXWUHKLSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196177382 852905732 /nfs/dbraw/zinc/90/57/32/852905732.db2.gz XUTQXKMIUDSLKC-RKVPGOIHSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196177382 852905736 /nfs/dbraw/zinc/90/57/36/852905736.db2.gz XUTQXKMIUDSLKC-RKVPGOIHSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196177382 852905741 /nfs/dbraw/zinc/90/57/41/852905741.db2.gz XUTQXKMIUDSLKC-RKVPGOIHSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251992 852925001 /nfs/dbraw/zinc/92/50/01/852925001.db2.gz POTAHNCMRQBPIT-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001196251002 852925213 /nfs/dbraw/zinc/92/52/13/852925213.db2.gz FINJDZAUPJMENI-IXDOHACOSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001196251002 852925217 /nfs/dbraw/zinc/92/52/17/852925217.db2.gz FINJDZAUPJMENI-IXDOHACOSA-N 2 1 353.438 0.706 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001196925426 853031708 /nfs/dbraw/zinc/03/17/08/853031708.db2.gz METZTLLFNAONFT-BRWVUGGUSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001196925426 853031720 /nfs/dbraw/zinc/03/17/20/853031720.db2.gz METZTLLFNAONFT-BRWVUGGUSA-N 2 1 350.463 0.560 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492907 853122200 /nfs/dbraw/zinc/12/22/00/853122200.db2.gz AVQQDONSAONLKI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492907 853122203 /nfs/dbraw/zinc/12/22/03/853122203.db2.gz AVQQDONSAONLKI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492907 853122208 /nfs/dbraw/zinc/12/22/08/853122208.db2.gz AVQQDONSAONLKI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492907 853122209 /nfs/dbraw/zinc/12/22/09/853122209.db2.gz AVQQDONSAONLKI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197492907 853122214 /nfs/dbraw/zinc/12/22/14/853122214.db2.gz AVQQDONSAONLKI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197535823 853128058 /nfs/dbraw/zinc/12/80/58/853128058.db2.gz FLHNOBRWMJOSLI-IAGOWNOFSA-N 2 1 353.438 0.321 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001197825221 853167638 /nfs/dbraw/zinc/16/76/38/853167638.db2.gz BQMDHCWDUHOTSH-YNEHKIRRSA-N 2 1 368.305 0.310 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001197825221 853167646 /nfs/dbraw/zinc/16/76/46/853167646.db2.gz BQMDHCWDUHOTSH-YNEHKIRRSA-N 2 1 368.305 0.310 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001198037936 853208796 /nfs/dbraw/zinc/20/87/96/853208796.db2.gz BZXDGRNJQWDYCP-IAGOWNOFSA-N 2 1 351.495 0.393 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001198037936 853208803 /nfs/dbraw/zinc/20/88/03/853208803.db2.gz BZXDGRNJQWDYCP-IAGOWNOFSA-N 2 1 351.495 0.393 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001198037936 853208810 /nfs/dbraw/zinc/20/88/10/853208810.db2.gz BZXDGRNJQWDYCP-IAGOWNOFSA-N 2 1 351.495 0.393 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038283 853209229 /nfs/dbraw/zinc/20/92/29/853209229.db2.gz NYRPYZWOOBXEPK-BZUAXINKSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038283 853209233 /nfs/dbraw/zinc/20/92/33/853209233.db2.gz NYRPYZWOOBXEPK-BZUAXINKSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038283 853209237 /nfs/dbraw/zinc/20/92/37/853209237.db2.gz NYRPYZWOOBXEPK-BZUAXINKSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038283 853209241 /nfs/dbraw/zinc/20/92/41/853209241.db2.gz NYRPYZWOOBXEPK-BZUAXINKSA-N 2 1 356.511 0.137 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662787 853299022 /nfs/dbraw/zinc/29/90/22/853299022.db2.gz VIBLFEKNSSYBMQ-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662787 853299028 /nfs/dbraw/zinc/29/90/28/853299028.db2.gz VIBLFEKNSSYBMQ-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662787 853299037 /nfs/dbraw/zinc/29/90/37/853299037.db2.gz VIBLFEKNSSYBMQ-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198672722 853299189 /nfs/dbraw/zinc/29/91/89/853299189.db2.gz RKGIIRMSITWDRN-CHWSQXEVSA-N 2 1 364.368 0.322 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198672722 853299196 /nfs/dbraw/zinc/29/91/96/853299196.db2.gz RKGIIRMSITWDRN-CHWSQXEVSA-N 2 1 364.368 0.322 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057811 853361086 /nfs/dbraw/zinc/36/10/86/853361086.db2.gz UQAUNCYANHVTEK-OPQOLIRYSA-N 2 1 353.507 0.839 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057448 853361363 /nfs/dbraw/zinc/36/13/63/853361363.db2.gz JXXOPCZXPGBRTD-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001199057338 853361486 /nfs/dbraw/zinc/36/14/86/853361486.db2.gz IMAPXYYAAKCLOM-KFWWJZLASA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001199057338 853361489 /nfs/dbraw/zinc/36/14/89/853361489.db2.gz IMAPXYYAAKCLOM-KFWWJZLASA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001199370529 853414546 /nfs/dbraw/zinc/41/45/46/853414546.db2.gz WIDLZIPCCABXBO-HUUCEWRRSA-N 2 1 363.449 0.696 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001199370529 853414557 /nfs/dbraw/zinc/41/45/57/853414557.db2.gz WIDLZIPCCABXBO-HUUCEWRRSA-N 2 1 363.449 0.696 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001199948300 853467257 /nfs/dbraw/zinc/46/72/57/853467257.db2.gz SASQECGUOZCTPX-INIZCTEOSA-N 2 1 356.536 0.380 20 0 FCADMP C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001200643200 853506073 /nfs/dbraw/zinc/50/60/73/853506073.db2.gz BBPXYUMXAAJIPB-JJRVBVJISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001200643993 853506865 /nfs/dbraw/zinc/50/68/65/853506865.db2.gz HTASCCUFUNSRRW-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205452389 853610111 /nfs/dbraw/zinc/61/01/11/853610111.db2.gz CZTJEXVJGQAHAL-JKSUJKDBSA-N 2 1 350.438 0.537 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513114 853619006 /nfs/dbraw/zinc/61/90/06/853619006.db2.gz ANPLZNPXWXAWME-YESZJQIVSA-N 2 1 353.507 0.648 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205513168 853619418 /nfs/dbraw/zinc/61/94/18/853619418.db2.gz FHYKGXIVTGERFU-DLBZAZTESA-N 2 1 353.507 0.650 20 0 FCADMP COCCOCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518963 853620060 /nfs/dbraw/zinc/62/00/60/853620060.db2.gz QGZVBZBGBRIVNN-NVXWUHKLSA-N 2 1 357.495 0.197 20 0 FCADMP COCCOCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518963 853620064 /nfs/dbraw/zinc/62/00/64/853620064.db2.gz QGZVBZBGBRIVNN-NVXWUHKLSA-N 2 1 357.495 0.197 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992772 853777879 /nfs/dbraw/zinc/77/78/79/853777879.db2.gz HDVVGLILTWEKHD-KLHDSHLOSA-N 2 1 353.511 0.471 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992772 853777884 /nfs/dbraw/zinc/77/78/84/853777884.db2.gz HDVVGLILTWEKHD-KLHDSHLOSA-N 2 1 353.511 0.471 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992772 853777889 /nfs/dbraw/zinc/77/78/89/853777889.db2.gz HDVVGLILTWEKHD-KLHDSHLOSA-N 2 1 353.511 0.471 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993122 853778271 /nfs/dbraw/zinc/77/82/71/853778271.db2.gz SPLZPMZMCJFNCH-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993122 853778275 /nfs/dbraw/zinc/77/82/75/853778275.db2.gz SPLZPMZMCJFNCH-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993122 853778281 /nfs/dbraw/zinc/77/82/81/853778281.db2.gz SPLZPMZMCJFNCH-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993122 853778286 /nfs/dbraw/zinc/77/82/86/853778286.db2.gz SPLZPMZMCJFNCH-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207280080 853796482 /nfs/dbraw/zinc/79/64/82/853796482.db2.gz MZBRGOPNIDNYFA-IBGZPJMESA-N 2 1 354.539 0.735 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CC(C)(C)N3CCOCC3)CC[C@@H]2C1 ZINC001207301845 853802365 /nfs/dbraw/zinc/80/23/65/853802365.db2.gz NQUJGDIOZFJGMB-QZTJIDSGSA-N 2 1 355.523 0.766 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CC(C)(C)N3CCOCC3)CC[C@@H]2C1 ZINC001207301845 853802368 /nfs/dbraw/zinc/80/23/68/853802368.db2.gz NQUJGDIOZFJGMB-QZTJIDSGSA-N 2 1 355.523 0.766 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CC(C)(C)N3CCOCC3)CC[C@@H]2C1 ZINC001207301845 853802370 /nfs/dbraw/zinc/80/23/70/853802370.db2.gz NQUJGDIOZFJGMB-QZTJIDSGSA-N 2 1 355.523 0.766 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001207484073 853818194 /nfs/dbraw/zinc/81/81/94/853818194.db2.gz NNLDIDHDYSSKQA-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207483788 853818510 /nfs/dbraw/zinc/81/85/10/853818510.db2.gz YYEQPJSPBRYOSE-MJGOQNOKSA-N 2 1 353.507 0.772 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547234 853823101 /nfs/dbraw/zinc/82/31/01/853823101.db2.gz QBCIXINOZKZCAE-ZACQAIPSSA-N 2 1 351.495 0.676 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547234 853823108 /nfs/dbraw/zinc/82/31/08/853823108.db2.gz QBCIXINOZKZCAE-ZACQAIPSSA-N 2 1 351.495 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207553671 853823849 /nfs/dbraw/zinc/82/38/49/853823849.db2.gz KJBSIECGQFOAMB-KYJSFNMBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567901 853827618 /nfs/dbraw/zinc/82/76/18/853827618.db2.gz FZZWCLUHSXLIMR-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567901 853827621 /nfs/dbraw/zinc/82/76/21/853827621.db2.gz FZZWCLUHSXLIMR-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567901 853827626 /nfs/dbraw/zinc/82/76/26/853827626.db2.gz FZZWCLUHSXLIMR-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567901 853827630 /nfs/dbraw/zinc/82/76/30/853827630.db2.gz FZZWCLUHSXLIMR-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705985 853843441 /nfs/dbraw/zinc/84/34/41/853843441.db2.gz MKUYAUNIXDFUSZ-BRWVUGGUSA-N 2 1 353.507 0.818 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C)[NH+](C)C ZINC001207697949 853843776 /nfs/dbraw/zinc/84/37/76/853843776.db2.gz OSBVEPAYORRGKP-FVQBIDKESA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C)[NH+](C)C ZINC001207697949 853843785 /nfs/dbraw/zinc/84/37/85/853843785.db2.gz OSBVEPAYORRGKP-FVQBIDKESA-N 2 1 359.536 0.588 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1C ZINC001208004887 853881621 /nfs/dbraw/zinc/88/16/21/853881621.db2.gz JBCSKJFAHVUGRH-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1C ZINC001208004887 853881624 /nfs/dbraw/zinc/88/16/24/853881624.db2.gz JBCSKJFAHVUGRH-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432320 853933493 /nfs/dbraw/zinc/93/34/93/853933493.db2.gz XMJGZTWMGHTWRG-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432320 853933500 /nfs/dbraw/zinc/93/35/00/853933500.db2.gz XMJGZTWMGHTWRG-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484986 853941099 /nfs/dbraw/zinc/94/10/99/853941099.db2.gz FEIQNBXXDUJHBM-GDBMZVCRSA-N 2 1 353.511 0.472 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591452 853957628 /nfs/dbraw/zinc/95/76/28/853957628.db2.gz XBHUQVZCCPZBGB-BFYDXBDKSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208591452 853957634 /nfs/dbraw/zinc/95/76/34/853957634.db2.gz XBHUQVZCCPZBGB-BFYDXBDKSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208591452 853957640 /nfs/dbraw/zinc/95/76/40/853957640.db2.gz XBHUQVZCCPZBGB-BFYDXBDKSA-N 2 1 354.495 0.060 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208610010 853959439 /nfs/dbraw/zinc/95/94/39/853959439.db2.gz OJNGSJSTSITHRH-XLAORIBOSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208610010 853959441 /nfs/dbraw/zinc/95/94/41/853959441.db2.gz OJNGSJSTSITHRH-XLAORIBOSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208610010 853959443 /nfs/dbraw/zinc/95/94/43/853959443.db2.gz OJNGSJSTSITHRH-XLAORIBOSA-N 2 1 351.491 0.524 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208647231 853963759 /nfs/dbraw/zinc/96/37/59/853963759.db2.gz YZODADODEGXKAU-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208647231 853963761 /nfs/dbraw/zinc/96/37/61/853963761.db2.gz YZODADODEGXKAU-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208647231 853963763 /nfs/dbraw/zinc/96/37/63/853963763.db2.gz YZODADODEGXKAU-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208647231 853963764 /nfs/dbraw/zinc/96/37/64/853963764.db2.gz YZODADODEGXKAU-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP C[NH+](C)CCN1CC[NH+](C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001208966728 853985832 /nfs/dbraw/zinc/98/58/32/853985832.db2.gz FVKJACYIBNSGJM-MRXNPFEDSA-N 2 1 356.511 0.802 20 0 FCADMP CC(=O)N1CCC[C@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001208972140 853986653 /nfs/dbraw/zinc/98/66/53/853986653.db2.gz ZUDMZOHKLGMNAM-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040147 854072645 /nfs/dbraw/zinc/07/26/45/854072645.db2.gz BUNNHWVBGIADCO-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040147 854072650 /nfs/dbraw/zinc/07/26/50/854072650.db2.gz BUNNHWVBGIADCO-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040147 854072658 /nfs/dbraw/zinc/07/26/58/854072658.db2.gz BUNNHWVBGIADCO-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330084 854100410 /nfs/dbraw/zinc/10/04/10/854100410.db2.gz NYEIRXHZYYMDFK-IXDOHACOSA-N 2 1 351.491 0.714 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001210497680 854114466 /nfs/dbraw/zinc/11/44/66/854114466.db2.gz HLZXYINGSVZHFV-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001210497680 854114469 /nfs/dbraw/zinc/11/44/69/854114469.db2.gz HLZXYINGSVZHFV-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001210497680 854114473 /nfs/dbraw/zinc/11/44/73/854114473.db2.gz HLZXYINGSVZHFV-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001210497680 854114478 /nfs/dbraw/zinc/11/44/78/854114478.db2.gz HLZXYINGSVZHFV-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349118 854179375 /nfs/dbraw/zinc/17/93/75/854179375.db2.gz CMGXRAIAKSWRNA-BRWVUGGUSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349118 854179380 /nfs/dbraw/zinc/17/93/80/854179380.db2.gz CMGXRAIAKSWRNA-BRWVUGGUSA-N 2 1 371.547 0.734 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293512 854430415 /nfs/dbraw/zinc/43/04/15/854430415.db2.gz UIKVLIFGPHECSF-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416295 854470570 /nfs/dbraw/zinc/47/05/70/854470570.db2.gz HTEFDSLRWDAXDQ-MGPQQGTHSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416295 854470573 /nfs/dbraw/zinc/47/05/73/854470573.db2.gz HTEFDSLRWDAXDQ-MGPQQGTHSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416295 854470575 /nfs/dbraw/zinc/47/05/75/854470575.db2.gz HTEFDSLRWDAXDQ-MGPQQGTHSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416295 854470580 /nfs/dbraw/zinc/47/05/80/854470580.db2.gz HTEFDSLRWDAXDQ-MGPQQGTHSA-N 2 1 367.412 0.599 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC)[NH+](C)C ZINC001212455939 854486589 /nfs/dbraw/zinc/48/65/89/854486589.db2.gz ZVZPYOOMGGLYRB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212483281 854497233 /nfs/dbraw/zinc/49/72/33/854497233.db2.gz FHAPVTRNFMFCGP-MGPQQGTHSA-N 2 1 363.449 0.956 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212483281 854497234 /nfs/dbraw/zinc/49/72/34/854497234.db2.gz FHAPVTRNFMFCGP-MGPQQGTHSA-N 2 1 363.449 0.956 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212483281 854497235 /nfs/dbraw/zinc/49/72/35/854497235.db2.gz FHAPVTRNFMFCGP-MGPQQGTHSA-N 2 1 363.449 0.956 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212483281 854497236 /nfs/dbraw/zinc/49/72/36/854497236.db2.gz FHAPVTRNFMFCGP-MGPQQGTHSA-N 2 1 363.449 0.956 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221560 854539024 /nfs/dbraw/zinc/53/90/24/854539024.db2.gz IJSQAQCPXSETOW-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213369330 854590034 /nfs/dbraw/zinc/59/00/34/854590034.db2.gz OKVSWAFNHNLCRR-FGTMMUONSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374311 854592099 /nfs/dbraw/zinc/59/20/99/854592099.db2.gz AGAJWKVROBHJLQ-IAGOWNOFSA-N 2 1 353.438 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374311 854592105 /nfs/dbraw/zinc/59/21/05/854592105.db2.gz AGAJWKVROBHJLQ-IAGOWNOFSA-N 2 1 353.438 0.972 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581259 854675295 /nfs/dbraw/zinc/67/52/95/854675295.db2.gz SZMMLSCWGDUEJG-BRWVUGGUSA-N 2 1 355.479 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581259 854675301 /nfs/dbraw/zinc/67/53/01/854675301.db2.gz SZMMLSCWGDUEJG-BRWVUGGUSA-N 2 1 355.479 0.093 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213594429 854678705 /nfs/dbraw/zinc/67/87/05/854678705.db2.gz FTXXIHXSEPGEIT-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213594429 854678707 /nfs/dbraw/zinc/67/87/07/854678707.db2.gz FTXXIHXSEPGEIT-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213671582 854708198 /nfs/dbraw/zinc/70/81/98/854708198.db2.gz MXGFMAMQGUIUQQ-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213671582 854708205 /nfs/dbraw/zinc/70/82/05/854708205.db2.gz MXGFMAMQGUIUQQ-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213671582 854708214 /nfs/dbraw/zinc/70/82/14/854708214.db2.gz MXGFMAMQGUIUQQ-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213675919 854711423 /nfs/dbraw/zinc/71/14/23/854711423.db2.gz GUCQNGRWWGXJAP-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213675919 854711427 /nfs/dbraw/zinc/71/14/27/854711427.db2.gz GUCQNGRWWGXJAP-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213675919 854711432 /nfs/dbraw/zinc/71/14/32/854711432.db2.gz GUCQNGRWWGXJAP-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753191 854751809 /nfs/dbraw/zinc/75/18/09/854751809.db2.gz BVXFVOWDEPTGRD-KFWWJZLASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753191 854751813 /nfs/dbraw/zinc/75/18/13/854751813.db2.gz BVXFVOWDEPTGRD-KFWWJZLASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001213764837 854757448 /nfs/dbraw/zinc/75/74/48/854757448.db2.gz GFVOEOHKJLHUMM-ZIAGYGMSSA-N 2 1 351.438 0.815 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001213764837 854757450 /nfs/dbraw/zinc/75/74/50/854757450.db2.gz GFVOEOHKJLHUMM-ZIAGYGMSSA-N 2 1 351.438 0.815 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001213764837 854757453 /nfs/dbraw/zinc/75/74/53/854757453.db2.gz GFVOEOHKJLHUMM-ZIAGYGMSSA-N 2 1 351.438 0.815 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001213764837 854757455 /nfs/dbraw/zinc/75/74/55/854757455.db2.gz GFVOEOHKJLHUMM-ZIAGYGMSSA-N 2 1 351.438 0.815 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868322 854799977 /nfs/dbraw/zinc/79/99/77/854799977.db2.gz OBGQEQVBZAHKIR-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916711 854822761 /nfs/dbraw/zinc/82/27/61/854822761.db2.gz FXRPMZFXRLELGC-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916711 854822766 /nfs/dbraw/zinc/82/27/66/854822766.db2.gz FXRPMZFXRLELGC-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214343966 854928123 /nfs/dbraw/zinc/92/81/23/854928123.db2.gz KVPSKBGETDXZTO-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214344032 854928482 /nfs/dbraw/zinc/92/84/82/854928482.db2.gz MORIUDMTXQTCQA-IJLUTSLNSA-N 2 1 352.464 0.007 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001214389418 854938082 /nfs/dbraw/zinc/93/80/82/854938082.db2.gz XWZHKRNZXMXXHW-BPLDGKMQSA-N 2 1 351.451 0.078 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001214389418 854938085 /nfs/dbraw/zinc/93/80/85/854938085.db2.gz XWZHKRNZXMXXHW-BPLDGKMQSA-N 2 1 351.451 0.078 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855798 855022999 /nfs/dbraw/zinc/02/29/99/855022999.db2.gz OCHPPNBCXBJMQV-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214855544 855023361 /nfs/dbraw/zinc/02/33/61/855023361.db2.gz FZRRPIUKIXDFBO-MGPQQGTHSA-N 2 1 354.476 0.242 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214855804 855023774 /nfs/dbraw/zinc/02/37/74/855023774.db2.gz OEAFCADOVXYMFP-DJIMGWMZSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214969523 855041577 /nfs/dbraw/zinc/04/15/77/855041577.db2.gz UZVNAWDLKJDNOD-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214999265 855049690 /nfs/dbraw/zinc/04/96/90/855049690.db2.gz CJNIPAMQUMCIQT-CHWSQXEVSA-N 2 1 351.451 0.780 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215036023 855055735 /nfs/dbraw/zinc/05/57/35/855055735.db2.gz LWRWAIXPYLMNBL-OAGGEKHMSA-N 2 1 359.536 0.588 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393117 855109070 /nfs/dbraw/zinc/10/90/70/855109070.db2.gz OOBLADMSYZHHLE-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393117 855109074 /nfs/dbraw/zinc/10/90/74/855109074.db2.gz OOBLADMSYZHHLE-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536549 855125963 /nfs/dbraw/zinc/12/59/63/855125963.db2.gz RZBJAPQAIZMMBC-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215539912 855126673 /nfs/dbraw/zinc/12/66/73/855126673.db2.gz CIAPXGOSOFUHRL-ZMSDIMECSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215558258 855128273 /nfs/dbraw/zinc/12/82/73/855128273.db2.gz PAZDQWLFEBCVLO-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215767655 855143837 /nfs/dbraw/zinc/14/38/37/855143837.db2.gz VNJNWVAZCHDNOW-BZUAXINKSA-N 2 1 352.479 0.840 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938503 855157858 /nfs/dbraw/zinc/15/78/58/855157858.db2.gz CEXOCWARSBQXRN-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216221512 855180340 /nfs/dbraw/zinc/18/03/40/855180340.db2.gz GVGJGMRLKNSVSE-VXGBXAGGSA-N 2 1 354.480 0.255 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001216499675 855208740 /nfs/dbraw/zinc/20/87/40/855208740.db2.gz PLQXJMBYQDOSJW-ZIAGYGMSSA-N 2 1 350.467 0.087 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001216499675 855208748 /nfs/dbraw/zinc/20/87/48/855208748.db2.gz PLQXJMBYQDOSJW-ZIAGYGMSSA-N 2 1 350.467 0.087 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216511425 855209262 /nfs/dbraw/zinc/20/92/62/855209262.db2.gz RTBPGHRXUZWYNB-UKRRQHHQSA-N 2 1 371.503 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001216754246 855232382 /nfs/dbraw/zinc/23/23/82/855232382.db2.gz MMITXUMEGCPLPK-FRRDWIJNSA-N 2 1 364.412 0.443 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216755938 855232982 /nfs/dbraw/zinc/23/29/82/855232982.db2.gz LBGLPBTUBLPFPS-UKRRQHHQSA-N 2 1 368.503 0.453 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216852073 855259002 /nfs/dbraw/zinc/25/90/02/855259002.db2.gz NUIRJORZPGRTEH-GDBMZVCRSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216852398 855260239 /nfs/dbraw/zinc/26/02/39/855260239.db2.gz XXCOVKJHNWPODY-MGPQQGTHSA-N 2 1 369.428 0.703 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217746725 855372021 /nfs/dbraw/zinc/37/20/21/855372021.db2.gz RHVYNDMBQPNPPW-JFILPPLUSA-N 2 1 353.467 0.711 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217746725 855372030 /nfs/dbraw/zinc/37/20/30/855372030.db2.gz RHVYNDMBQPNPPW-JFILPPLUSA-N 2 1 353.467 0.711 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21 ZINC001218150732 855401147 /nfs/dbraw/zinc/40/11/47/855401147.db2.gz RSLPTTRSDBMCFS-ATZCPNFKSA-N 2 1 352.391 0.061 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218163293 855403313 /nfs/dbraw/zinc/40/33/13/855403313.db2.gz UBZKBGCKOUYIKA-QXEWZRGKSA-N 2 1 352.391 0.061 20 0 FCADMP CC[N@H+]1CCC[C@H](Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c2=O)C1 ZINC001218346997 855416472 /nfs/dbraw/zinc/41/64/72/855416472.db2.gz FVTDMDNJNROLIM-NSHDSACASA-N 2 1 352.435 0.624 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575487 855442521 /nfs/dbraw/zinc/44/25/21/855442521.db2.gz JKWWGEVDKRFXDY-ZWKOTPCHSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575487 855442526 /nfs/dbraw/zinc/44/25/26/855442526.db2.gz JKWWGEVDKRFXDY-ZWKOTPCHSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219614031 855733972 /nfs/dbraw/zinc/73/39/72/855733972.db2.gz ZDHSCSWFXRXBKJ-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219614031 855733976 /nfs/dbraw/zinc/73/39/76/855733976.db2.gz ZDHSCSWFXRXBKJ-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219614031 855733987 /nfs/dbraw/zinc/73/39/87/855733987.db2.gz ZDHSCSWFXRXBKJ-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219614031 855733992 /nfs/dbraw/zinc/73/39/92/855733992.db2.gz ZDHSCSWFXRXBKJ-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219746595 855798013 /nfs/dbraw/zinc/79/80/13/855798013.db2.gz WYIOWISLQVXZGY-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219746595 855798018 /nfs/dbraw/zinc/79/80/18/855798018.db2.gz WYIOWISLQVXZGY-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219746595 855798021 /nfs/dbraw/zinc/79/80/21/855798021.db2.gz WYIOWISLQVXZGY-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219746595 855798025 /nfs/dbraw/zinc/79/80/25/855798025.db2.gz WYIOWISLQVXZGY-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796808 855817625 /nfs/dbraw/zinc/81/76/25/855817625.db2.gz RBRSMRULEDBOJV-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796808 855817627 /nfs/dbraw/zinc/81/76/27/855817627.db2.gz RBRSMRULEDBOJV-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796808 855817629 /nfs/dbraw/zinc/81/76/29/855817629.db2.gz RBRSMRULEDBOJV-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001219799923 855819506 /nfs/dbraw/zinc/81/95/06/855819506.db2.gz COOYILMRLBADNT-OAGGEKHMSA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O ZINC001219799923 855819515 /nfs/dbraw/zinc/81/95/15/855819515.db2.gz COOYILMRLBADNT-OAGGEKHMSA-N 2 1 351.495 0.411 20 0 FCADMP [NH3+][C@H](CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)Cc1cccs1 ZINC001219803372 855820706 /nfs/dbraw/zinc/82/07/06/855820706.db2.gz RQGQYUZXKRSQBV-LBPRGKRZSA-N 2 1 361.471 0.374 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CCC1 ZINC001219802627 855820841 /nfs/dbraw/zinc/82/08/41/855820841.db2.gz XSTLVOSTYXPGDS-IKGGRYGDSA-N 2 1 353.507 0.573 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001219830010 855835118 /nfs/dbraw/zinc/83/51/18/855835118.db2.gz LDUNGLDAMYFXKR-IMJJTQAJSA-N 2 1 352.504 0.721 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001219830010 855835122 /nfs/dbraw/zinc/83/51/22/855835122.db2.gz LDUNGLDAMYFXKR-IMJJTQAJSA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219830010 855835126 /nfs/dbraw/zinc/83/51/26/855835126.db2.gz LDUNGLDAMYFXKR-IMJJTQAJSA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219830010 855835127 /nfs/dbraw/zinc/83/51/27/855835127.db2.gz LDUNGLDAMYFXKR-IMJJTQAJSA-N 2 1 352.504 0.721 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219845782 855843037 /nfs/dbraw/zinc/84/30/37/855843037.db2.gz SCGRAJFQIXJLLV-YCPHGPKFSA-N 2 1 353.467 0.058 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219845782 855843039 /nfs/dbraw/zinc/84/30/39/855843039.db2.gz SCGRAJFQIXJLLV-YCPHGPKFSA-N 2 1 353.467 0.058 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220064277 855941568 /nfs/dbraw/zinc/94/15/68/855941568.db2.gz YLSLOFCSDYXGNV-GJZGRUSLSA-N 2 1 356.511 0.626 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224306 856019049 /nfs/dbraw/zinc/01/90/49/856019049.db2.gz IHBBGRKTLVVCBK-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224306 856019058 /nfs/dbraw/zinc/01/90/58/856019058.db2.gz IHBBGRKTLVVCBK-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224527 856019864 /nfs/dbraw/zinc/01/98/64/856019864.db2.gz QWMOEPXTJHZKIP-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224527 856019870 /nfs/dbraw/zinc/01/98/70/856019870.db2.gz QWMOEPXTJHZKIP-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])CC(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001220228139 856022527 /nfs/dbraw/zinc/02/25/27/856022527.db2.gz BLBPRJZBBLCLDZ-GUYCJALGSA-N 2 1 355.385 0.903 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])CC(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228139 856022536 /nfs/dbraw/zinc/02/25/36/856022536.db2.gz BLBPRJZBBLCLDZ-GUYCJALGSA-N 2 1 355.385 0.903 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220332188 856069326 /nfs/dbraw/zinc/06/93/26/856069326.db2.gz JSTJPEAJUHDYIU-JKSUJKDBSA-N 2 1 371.547 0.637 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369349 856088749 /nfs/dbraw/zinc/08/87/49/856088749.db2.gz HJCYAEMPEUUOBM-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369349 856088757 /nfs/dbraw/zinc/08/87/57/856088757.db2.gz HJCYAEMPEUUOBM-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369349 856088760 /nfs/dbraw/zinc/08/87/60/856088760.db2.gz HJCYAEMPEUUOBM-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001220379626 856096261 /nfs/dbraw/zinc/09/62/61/856096261.db2.gz BPMNUBOWQVQMFC-AGIUHOORSA-N 2 1 355.401 0.457 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387323 856100704 /nfs/dbraw/zinc/10/07/04/856100704.db2.gz HLKJYUVVHFYHTQ-ZACQAIPSSA-N 2 1 359.486 0.788 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387944 856101857 /nfs/dbraw/zinc/10/18/57/856101857.db2.gz VUPRVGFWTXMQBF-MJBXVCDLSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387944 856101861 /nfs/dbraw/zinc/10/18/61/856101861.db2.gz VUPRVGFWTXMQBF-MJBXVCDLSA-N 2 1 367.412 0.601 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C(C)C ZINC001220575521 856190603 /nfs/dbraw/zinc/19/06/03/856190603.db2.gz VSBSUPPCXUMIHJ-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220584951 856195846 /nfs/dbraw/zinc/19/58/46/856195846.db2.gz QEJASABICXOKOL-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220584951 856195850 /nfs/dbraw/zinc/19/58/50/856195850.db2.gz QEJASABICXOKOL-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637610 856215037 /nfs/dbraw/zinc/21/50/37/856215037.db2.gz IZKUAMOGANGRAI-SJORKVTESA-N 2 1 357.495 0.075 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220668061 856232057 /nfs/dbraw/zinc/23/20/57/856232057.db2.gz XACAHJADQINHLW-MSOLQXFVSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220668061 856232067 /nfs/dbraw/zinc/23/20/67/856232067.db2.gz XACAHJADQINHLW-MSOLQXFVSA-N 2 1 355.523 0.941 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681876 856240231 /nfs/dbraw/zinc/24/02/31/856240231.db2.gz QOLJKTAZQVEVKE-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681876 856240240 /nfs/dbraw/zinc/24/02/40/856240240.db2.gz QOLJKTAZQVEVKE-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681876 856240244 /nfs/dbraw/zinc/24/02/44/856240244.db2.gz QOLJKTAZQVEVKE-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681876 856240248 /nfs/dbraw/zinc/24/02/48/856240248.db2.gz QOLJKTAZQVEVKE-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689238 856243947 /nfs/dbraw/zinc/24/39/47/856243947.db2.gz AVQQDONSAONLKI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689238 856243933 /nfs/dbraw/zinc/24/39/33/856243933.db2.gz AVQQDONSAONLKI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689238 856243941 /nfs/dbraw/zinc/24/39/41/856243941.db2.gz AVQQDONSAONLKI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220689238 856243953 /nfs/dbraw/zinc/24/39/53/856243953.db2.gz AVQQDONSAONLKI-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728508 856266317 /nfs/dbraw/zinc/26/63/17/856266317.db2.gz OFRAYZYODCPJPV-QGTPRVQTSA-N 2 1 353.507 0.431 20 0 FCADMP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764301 856288483 /nfs/dbraw/zinc/28/84/83/856288483.db2.gz GFTWFTYKVBBCAB-XKQJLSEDSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764301 856288494 /nfs/dbraw/zinc/28/84/94/856288494.db2.gz GFTWFTYKVBBCAB-XKQJLSEDSA-N 2 1 353.438 0.626 20 0 FCADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768701 856291080 /nfs/dbraw/zinc/29/10/80/856291080.db2.gz ZBWRRXBAKFOVJU-SJORKVTESA-N 2 1 353.438 0.374 20 0 FCADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768701 856291087 /nfs/dbraw/zinc/29/10/87/856291087.db2.gz ZBWRRXBAKFOVJU-SJORKVTESA-N 2 1 353.438 0.374 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817179 856319251 /nfs/dbraw/zinc/31/92/51/856319251.db2.gz NVLNAEJZUXWBEB-OAGGEKHMSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817179 856319258 /nfs/dbraw/zinc/31/92/58/856319258.db2.gz NVLNAEJZUXWBEB-OAGGEKHMSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817179 856319274 /nfs/dbraw/zinc/31/92/74/856319274.db2.gz NVLNAEJZUXWBEB-OAGGEKHMSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817179 856319286 /nfs/dbraw/zinc/31/92/86/856319286.db2.gz NVLNAEJZUXWBEB-OAGGEKHMSA-N 2 1 356.511 0.135 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]CCN3)CC2)c1 ZINC001220911032 856370218 /nfs/dbraw/zinc/37/02/18/856370218.db2.gz CTQYIQGSLLMYCC-QGZVFWFLSA-N 2 1 350.438 0.476 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001220985774 856407578 /nfs/dbraw/zinc/40/75/78/856407578.db2.gz FQZGOABECRKLNV-CFVMTHIKSA-N 2 1 361.433 0.161 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220994391 856413306 /nfs/dbraw/zinc/41/33/06/856413306.db2.gz OQEJINYEGIIGTF-KSZLIROESA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001221072982 856448428 /nfs/dbraw/zinc/44/84/28/856448428.db2.gz ANNPTSOTSGPNKM-CVEARBPZSA-N 2 1 352.504 0.723 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001221072982 856448440 /nfs/dbraw/zinc/44/84/40/856448440.db2.gz ANNPTSOTSGPNKM-CVEARBPZSA-N 2 1 352.504 0.723 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073217 856448974 /nfs/dbraw/zinc/44/89/74/856448974.db2.gz LHTCZAFZNASGEM-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(Cl)cc1 ZINC001221414110 856559936 /nfs/dbraw/zinc/55/99/36/856559936.db2.gz SJEOTCNUSWVKEW-PMPSAXMXSA-N 2 1 355.866 0.798 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@H]1C[NH2+]CCN1)c1ccc(Cl)cc1 ZINC001221411973 856560228 /nfs/dbraw/zinc/56/02/28/856560228.db2.gz HQIVGWLSFUCOPW-HZPDHXFCSA-N 2 1 354.882 0.637 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414043 856560430 /nfs/dbraw/zinc/56/04/30/856560430.db2.gz SBEPWRSOWKPRJX-RDJZCZTQSA-N 2 1 354.882 0.766 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221615616 856625139 /nfs/dbraw/zinc/62/51/39/856625139.db2.gz QGEJFSITADRGJW-FGTMMUONSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221615616 856625142 /nfs/dbraw/zinc/62/51/42/856625142.db2.gz QGEJFSITADRGJW-FGTMMUONSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221615616 856625144 /nfs/dbraw/zinc/62/51/44/856625144.db2.gz QGEJFSITADRGJW-FGTMMUONSA-N 2 1 353.507 0.506 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001221642776 856635737 /nfs/dbraw/zinc/63/57/37/856635737.db2.gz GRRMUGYWKWKUFI-BRWVUGGUSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657034 856641725 /nfs/dbraw/zinc/64/17/25/856641725.db2.gz GSJBJCYFPOEXKN-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657034 856641735 /nfs/dbraw/zinc/64/17/35/856641735.db2.gz GSJBJCYFPOEXKN-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657034 856641738 /nfs/dbraw/zinc/64/17/38/856641738.db2.gz GSJBJCYFPOEXKN-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657034 856641744 /nfs/dbraw/zinc/64/17/44/856641744.db2.gz GSJBJCYFPOEXKN-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)CCCC1 ZINC001221714274 856661960 /nfs/dbraw/zinc/66/19/60/856661960.db2.gz WJNWDLWDTWEGRA-IAGOWNOFSA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221773994 856678801 /nfs/dbraw/zinc/67/88/01/856678801.db2.gz NHZSRLDGTXBWDY-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789263 856683613 /nfs/dbraw/zinc/68/36/13/856683613.db2.gz MPFNAOJXTAKYDZ-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789263 856683617 /nfs/dbraw/zinc/68/36/17/856683617.db2.gz MPFNAOJXTAKYDZ-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221921598 856734647 /nfs/dbraw/zinc/73/46/47/856734647.db2.gz AXGQHUARPUDLLT-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221921598 856734654 /nfs/dbraw/zinc/73/46/54/856734654.db2.gz AXGQHUARPUDLLT-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221921598 856734656 /nfs/dbraw/zinc/73/46/56/856734656.db2.gz AXGQHUARPUDLLT-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCc3ccns3)C[C@H]21 ZINC001221950589 856746115 /nfs/dbraw/zinc/74/61/15/856746115.db2.gz OUFYDNSYYSSCOW-GDBMZVCRSA-N 2 1 352.504 0.797 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973943 856754595 /nfs/dbraw/zinc/75/45/95/856754595.db2.gz RPTVNYXHHVNGBK-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973943 856754598 /nfs/dbraw/zinc/75/45/98/856754598.db2.gz RPTVNYXHHVNGBK-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973943 856754602 /nfs/dbraw/zinc/75/46/02/856754602.db2.gz RPTVNYXHHVNGBK-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973943 856754606 /nfs/dbraw/zinc/75/46/06/856754606.db2.gz RPTVNYXHHVNGBK-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013808 856768491 /nfs/dbraw/zinc/76/84/91/856768491.db2.gz LPVHADVBJMKKKF-BZUAXINKSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013808 856768497 /nfs/dbraw/zinc/76/84/97/856768497.db2.gz LPVHADVBJMKKKF-BZUAXINKSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013808 856768505 /nfs/dbraw/zinc/76/85/05/856768505.db2.gz LPVHADVBJMKKKF-BZUAXINKSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013808 856768510 /nfs/dbraw/zinc/76/85/10/856768510.db2.gz LPVHADVBJMKKKF-BZUAXINKSA-N 2 1 351.495 0.178 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222052958 856787875 /nfs/dbraw/zinc/78/78/75/856787875.db2.gz BVNLAIRVNXQTFV-IAGOWNOFSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222052958 856787876 /nfs/dbraw/zinc/78/78/76/856787876.db2.gz BVNLAIRVNXQTFV-IAGOWNOFSA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222052958 856787880 /nfs/dbraw/zinc/78/78/80/856787880.db2.gz BVNLAIRVNXQTFV-IAGOWNOFSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)CC[N@H+]1C ZINC001222716336 856867065 /nfs/dbraw/zinc/86/70/65/856867065.db2.gz XGVBWUMSBAOCDL-XDNAFOTISA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)CC[NH+]1C ZINC001222716336 856867066 /nfs/dbraw/zinc/86/70/66/856867066.db2.gz XGVBWUMSBAOCDL-XDNAFOTISA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)CC[NH+]1C ZINC001222716336 856867067 /nfs/dbraw/zinc/86/70/67/856867067.db2.gz XGVBWUMSBAOCDL-XDNAFOTISA-N 2 1 353.507 0.648 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707462 856867702 /nfs/dbraw/zinc/86/77/02/856867702.db2.gz IFJFGYAIZKMLJA-VQHPVUNQSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707462 856867712 /nfs/dbraw/zinc/86/77/12/856867712.db2.gz IFJFGYAIZKMLJA-VQHPVUNQSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707462 856867721 /nfs/dbraw/zinc/86/77/21/856867721.db2.gz IFJFGYAIZKMLJA-VQHPVUNQSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223378116 856911546 /nfs/dbraw/zinc/91/15/46/856911546.db2.gz DXDFKEAQNKJJPV-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223388051 856911652 /nfs/dbraw/zinc/91/16/52/856911652.db2.gz UWAMGYJHWZZIJN-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223388051 856911655 /nfs/dbraw/zinc/91/16/55/856911655.db2.gz UWAMGYJHWZZIJN-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)CS(C)(=O)=O ZINC001223425093 856915467 /nfs/dbraw/zinc/91/54/67/856915467.db2.gz LPRYVVZAVGGGMS-XHSDSOJGSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)[C@H]2C1 ZINC001223430706 856917149 /nfs/dbraw/zinc/91/71/49/856917149.db2.gz PSAOLIDEZZLVAL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223431320 856917322 /nfs/dbraw/zinc/91/73/22/856917322.db2.gz XQOLSXLHKKHTCG-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223697805 856938166 /nfs/dbraw/zinc/93/81/66/856938166.db2.gz LWWJLBWTZXEJQF-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)on1 ZINC001223916768 856951011 /nfs/dbraw/zinc/95/10/11/856951011.db2.gz PYEZWVPAMUMDTP-WBVHZDCISA-N 2 1 350.463 0.984 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222756 856970931 /nfs/dbraw/zinc/97/09/31/856970931.db2.gz YWOKRMRDGAUTPU-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233056 856971006 /nfs/dbraw/zinc/97/10/06/856971006.db2.gz HOURWSYERPXGPW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233056 856971010 /nfs/dbraw/zinc/97/10/10/856971010.db2.gz HOURWSYERPXGPW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001224233056 856971022 /nfs/dbraw/zinc/97/10/22/856971022.db2.gz HOURWSYERPXGPW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001224233056 856971033 /nfs/dbraw/zinc/97/10/33/856971033.db2.gz HOURWSYERPXGPW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225346069 857036240 /nfs/dbraw/zinc/03/62/40/857036240.db2.gz IJOVQMKLNBLVRF-OAGGEKHMSA-N 2 1 353.511 0.805 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC001226323855 857097501 /nfs/dbraw/zinc/09/75/01/857097501.db2.gz USVHMHXAQOKWPB-MWQQHZPXSA-N 2 1 350.507 0.870 20 0 FCADMP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001227276002 857154075 /nfs/dbraw/zinc/15/40/75/857154075.db2.gz PSBPNQHGILIPKN-HUUCEWRRSA-N 2 1 357.520 0.676 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001227443037 857160212 /nfs/dbraw/zinc/16/02/12/857160212.db2.gz GTEXNHZIMMZZCP-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001227443037 857160216 /nfs/dbraw/zinc/16/02/16/857160216.db2.gz GTEXNHZIMMZZCP-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444849 857160542 /nfs/dbraw/zinc/16/05/42/857160542.db2.gz UMXIEELKHHSODG-BPQIPLTHSA-N 2 1 355.523 0.941 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001229141305 857253428 /nfs/dbraw/zinc/25/34/28/857253428.db2.gz AFHKCFLFBUDTGY-BZUAXINKSA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229523144 857273276 /nfs/dbraw/zinc/27/32/76/857273276.db2.gz CBSRONUZIXMZKA-HUUCEWRRSA-N 2 1 362.540 0.285 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)s1 ZINC001229709494 857283653 /nfs/dbraw/zinc/28/36/53/857283653.db2.gz GDNGBXKDOUQCHK-ZIAGYGMSSA-N 2 1 355.508 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229869080 857290070 /nfs/dbraw/zinc/29/00/70/857290070.db2.gz WUTXHMMIVNTMPE-BRWVUGGUSA-N 2 1 359.511 0.369 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229877166 857291605 /nfs/dbraw/zinc/29/16/05/857291605.db2.gz MJWOCWDNCDUINN-GVDBMIGSSA-N 2 1 351.495 0.603 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001229956530 857294673 /nfs/dbraw/zinc/29/46/73/857294673.db2.gz LSRKUWOTPKCFCG-MDZRGWNJSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001230138157 857306605 /nfs/dbraw/zinc/30/66/05/857306605.db2.gz IFVMFRXHZPVGLP-JHJVBQTASA-N 2 1 364.412 0.634 20 0 FCADMP Brc1cn2c(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cnc2cn1 ZINC001234988624 857416607 /nfs/dbraw/zinc/41/66/07/857416607.db2.gz QIIZLABYUYVJRJ-CQSZACIVSA-N 2 1 351.252 0.629 20 0 FCADMP COc1nc(OC)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1Br ZINC001234994290 857417920 /nfs/dbraw/zinc/41/79/20/857417920.db2.gz RHCHLRCQMFTIJI-OAHLLOKOSA-N 2 1 371.279 0.999 20 0 FCADMP CC(C)CN1CC[N@H+](C)C2(CCN(C[C@@H]3C[NH2+]C(C)(C)O3)CC2)C1=O ZINC001235503610 857426093 /nfs/dbraw/zinc/42/60/93/857426093.db2.gz XBBLNLCSWYDGFM-INIZCTEOSA-N 2 1 352.523 0.976 20 0 FCADMP CC(C)CN1CC[N@@H+](C)C2(CCN(C[C@@H]3C[NH2+]C(C)(C)O3)CC2)C1=O ZINC001235503610 857426095 /nfs/dbraw/zinc/42/60/95/857426095.db2.gz XBBLNLCSWYDGFM-INIZCTEOSA-N 2 1 352.523 0.976 20 0 FCADMP [NH3+]CCCC[N@@H+]1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001235575829 857428522 /nfs/dbraw/zinc/42/85/22/857428522.db2.gz QFDDHCQWFLXHSS-LSDHHAIUSA-N 2 1 365.503 0.512 20 0 FCADMP [NH3+]CCCC[N@H+]1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001235575829 857428529 /nfs/dbraw/zinc/42/85/29/857428529.db2.gz QFDDHCQWFLXHSS-LSDHHAIUSA-N 2 1 365.503 0.512 20 0 FCADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239076509 857506214 /nfs/dbraw/zinc/50/62/14/857506214.db2.gz DGLSUPLJHBEEKF-AWEZNQCLSA-N 2 1 357.476 0.623 20 0 FCADMP [NH3+]CCNC(=S)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239360196 857526462 /nfs/dbraw/zinc/52/64/62/857526462.db2.gz DRGVSJATPXJXGH-QGZVFWFLSA-N 3 1 361.559 0.911 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502883 862921503 /nfs/dbraw/zinc/92/15/03/862921503.db2.gz ZGKCUSZGBOVDAG-DLBZAZTESA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502883 862921510 /nfs/dbraw/zinc/92/15/10/862921510.db2.gz ZGKCUSZGBOVDAG-DLBZAZTESA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502883 862921520 /nfs/dbraw/zinc/92/15/20/862921520.db2.gz ZGKCUSZGBOVDAG-DLBZAZTESA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502883 862921531 /nfs/dbraw/zinc/92/15/31/862921531.db2.gz ZGKCUSZGBOVDAG-DLBZAZTESA-N 2 1 358.552 0.923 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245981393 857563044 /nfs/dbraw/zinc/56/30/44/857563044.db2.gz GRJQHVDLLWFVEU-SOGIYBJLSA-N 2 1 355.429 0.410 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246020816 857564205 /nfs/dbraw/zinc/56/42/05/857564205.db2.gz JZHSJUICNCVSHW-GVDBMIGSSA-N 2 1 350.459 0.896 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246020816 857564213 /nfs/dbraw/zinc/56/42/13/857564213.db2.gz JZHSJUICNCVSHW-GVDBMIGSSA-N 2 1 350.459 0.896 20 0 FCADMP CCCOC[C@@H](O)C[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001246063460 857567251 /nfs/dbraw/zinc/56/72/51/857567251.db2.gz OJXYVHDCOJPVNF-IBGZPJMESA-N 2 1 357.539 0.798 20 0 FCADMP O=C([C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[NH2+]1)N1CCSC1 ZINC001246185677 857570355 /nfs/dbraw/zinc/57/03/55/857570355.db2.gz VIUDSJJQHVSRCH-PMPSAXMXSA-N 2 1 368.547 0.388 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3C[NH2+]CCN3)CC2)cc1 ZINC001246491615 857581669 /nfs/dbraw/zinc/58/16/69/857581669.db2.gz USXDXPKCZURWFI-INIZCTEOSA-N 2 1 352.504 0.299 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700536 857591555 /nfs/dbraw/zinc/59/15/55/857591555.db2.gz GYBYYHGOGWDTHS-ATIFRJIPSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@@H]1C[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726418 857593989 /nfs/dbraw/zinc/59/39/89/857593989.db2.gz CUXBVYFVMRKFPT-SJORKVTESA-N 2 1 351.539 0.297 20 0 FCADMP CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750408 857596888 /nfs/dbraw/zinc/59/68/88/857596888.db2.gz XTFHNYHQLMTTDA-RDJZCZTQSA-N 2 1 356.536 0.361 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745371 857596984 /nfs/dbraw/zinc/59/69/84/857596984.db2.gz HGTQCYZLJOYIEI-NTDBWNAOSA-N 2 1 351.491 0.999 20 0 FCADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246761258 857598450 /nfs/dbraw/zinc/59/84/50/857598450.db2.gz NGJKNGBDAMXXJA-LSTDLKDCSA-N 2 1 351.491 0.570 20 0 FCADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246761258 857598457 /nfs/dbraw/zinc/59/84/57/857598457.db2.gz NGJKNGBDAMXXJA-LSTDLKDCSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1C[C@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751425 857598755 /nfs/dbraw/zinc/59/87/55/857598755.db2.gz PIGFBOIPNIBTBK-IAGOWNOFSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772656 857599783 /nfs/dbraw/zinc/59/97/83/857599783.db2.gz FCPUWODDALMWDC-YWTNHNAXSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772654 857600054 /nfs/dbraw/zinc/60/00/54/857600054.db2.gz FCPUWODDALMWDC-VXIBKDFQSA-N 2 1 351.491 0.857 20 0 FCADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN([C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1)CC2 ZINC001246992784 857608954 /nfs/dbraw/zinc/60/89/54/857608954.db2.gz ZDZGVCJUULDDRO-FLTUCWPJSA-N 2 1 353.463 0.286 20 0 FCADMP C[NH+](C)CCNC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001249833560 857650442 /nfs/dbraw/zinc/65/04/42/857650442.db2.gz UOKXDDQETCWZFO-ILXRZTDVSA-N 2 1 351.524 0.109 20 0 FCADMP O[C@@H](COCC(F)(F)C(F)F)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001251584354 857733445 /nfs/dbraw/zinc/73/34/45/857733445.db2.gz WNNSVPNXGDIDGU-CQSZACIVSA-N 2 1 371.419 0.978 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)CCC1=O ZINC001251930343 857769224 /nfs/dbraw/zinc/76/92/24/857769224.db2.gz QKJRTQMXOOZXMQ-INIZCTEOSA-N 2 1 353.438 0.661 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)CCC1=O ZINC001251930343 857769231 /nfs/dbraw/zinc/76/92/31/857769231.db2.gz QKJRTQMXOOZXMQ-INIZCTEOSA-N 2 1 353.438 0.661 20 0 FCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252024374 857776192 /nfs/dbraw/zinc/77/61/92/857776192.db2.gz NACFRHIXAYXIIN-RCCFBDPRSA-N 2 1 353.507 0.791 20 0 FCADMP COc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001252734061 857837442 /nfs/dbraw/zinc/83/74/42/857837442.db2.gz RZTQAJCOGYUGIT-HNNXBMFYSA-N 2 1 351.447 0.189 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253166048 857868001 /nfs/dbraw/zinc/86/80/01/857868001.db2.gz GLWFJNVCQZSJMY-SFHVURJKSA-N 2 1 352.475 0.662 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001253185345 857870294 /nfs/dbraw/zinc/87/02/94/857870294.db2.gz FQNWCYXVVKBAHT-OWSLCNJRSA-N 2 1 350.511 0.375 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001253391257 857885383 /nfs/dbraw/zinc/88/53/83/857885383.db2.gz XLISPZINQZEDPV-MDZRGWNJSA-N 2 1 353.507 0.600 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001253391257 857885387 /nfs/dbraw/zinc/88/53/87/857885387.db2.gz XLISPZINQZEDPV-MDZRGWNJSA-N 2 1 353.507 0.600 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001253411473 857886966 /nfs/dbraw/zinc/88/69/66/857886966.db2.gz OAZBSPNGDTZLAE-MRXNPFEDSA-N 2 1 369.531 0.910 20 0 FCADMP COC1(CC(=O)N2CCO[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@@H]32)CCC1 ZINC001279615470 862980912 /nfs/dbraw/zinc/98/09/12/862980912.db2.gz LELAIOBUQNEHCP-IRXDYDNUSA-N 2 1 351.491 0.857 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264650629 859415584 /nfs/dbraw/zinc/41/55/84/859415584.db2.gz YNBIMXZRMQIXCS-SJORKVTESA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H]3CCCN(C)C3=O)CCCC2)CC[N@H+]1C ZINC001268035652 859522243 /nfs/dbraw/zinc/52/22/43/859522243.db2.gz CPAJYZMNQAGKBJ-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269992249 859624478 /nfs/dbraw/zinc/62/44/78/859624478.db2.gz DHUUUSSKBAXHAC-OAGGEKHMSA-N 2 1 353.511 0.940 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(F)C1=O ZINC001271140151 859904969 /nfs/dbraw/zinc/90/49/69/859904969.db2.gz OTBFLXBTMTZYQP-KBRIMQKVSA-N 2 1 358.433 0.133 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(F)C1=O ZINC001271140151 859904975 /nfs/dbraw/zinc/90/49/75/859904975.db2.gz OTBFLXBTMTZYQP-KBRIMQKVSA-N 2 1 358.433 0.133 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001272744850 860244310 /nfs/dbraw/zinc/24/43/10/860244310.db2.gz LLHXUPQOGANZRZ-PKOBYXMFSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822601 860272429 /nfs/dbraw/zinc/27/24/29/860272429.db2.gz ZXPZISCNDAXOGL-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273386183 860474289 /nfs/dbraw/zinc/47/42/89/860474289.db2.gz YTQKKFIXXWLFBH-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](C)C1)C2 ZINC001273834945 860613477 /nfs/dbraw/zinc/61/34/77/860613477.db2.gz JHEZSBDNBAWQDW-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001273834945 860613484 /nfs/dbraw/zinc/61/34/84/860613484.db2.gz JHEZSBDNBAWQDW-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273834945 860613485 /nfs/dbraw/zinc/61/34/85/860613485.db2.gz JHEZSBDNBAWQDW-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001274370111 860737969 /nfs/dbraw/zinc/73/79/69/860737969.db2.gz MZCYJCUSIWQSQY-HDICACEKSA-N 2 1 350.507 0.478 20 0 FCADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN1CC[NH+](C)CC1 ZINC001274516944 860767665 /nfs/dbraw/zinc/76/76/65/860767665.db2.gz YRJGZWXMTUEEKY-HDICACEKSA-N 2 1 351.539 0.251 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)CC2)C1 ZINC001274909559 860869522 /nfs/dbraw/zinc/86/95/22/860869522.db2.gz ZCRCYGKQFNEODL-IRXDYDNUSA-N 2 1 352.523 0.318 20 0 FCADMP CN(C)CC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)CC2)C1 ZINC001274909559 860869524 /nfs/dbraw/zinc/86/95/24/860869524.db2.gz ZCRCYGKQFNEODL-IRXDYDNUSA-N 2 1 352.523 0.318 20 0 FCADMP CN(C)CC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)CC2)C1 ZINC001274909559 860869527 /nfs/dbraw/zinc/86/95/27/860869527.db2.gz ZCRCYGKQFNEODL-IRXDYDNUSA-N 2 1 352.523 0.318 20 0 FCADMP CCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275093826 860931848 /nfs/dbraw/zinc/93/18/48/860931848.db2.gz QZWXEFQZLZMWEE-LJQANCHMSA-N 2 1 350.507 0.875 20 0 FCADMP CCC[N@H+]1CCC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275093826 860931858 /nfs/dbraw/zinc/93/18/58/860931858.db2.gz QZWXEFQZLZMWEE-LJQANCHMSA-N 2 1 350.507 0.875 20 0 FCADMP CCC[N@@H+]1CCC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275093825 860932335 /nfs/dbraw/zinc/93/23/35/860932335.db2.gz QZWXEFQZLZMWEE-IBGZPJMESA-N 2 1 350.507 0.875 20 0 FCADMP CCC[N@H+]1CCC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275093825 860932345 /nfs/dbraw/zinc/93/23/45/860932345.db2.gz QZWXEFQZLZMWEE-IBGZPJMESA-N 2 1 350.507 0.875 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001275343555 861038429 /nfs/dbraw/zinc/03/84/29/861038429.db2.gz PWVZUWDTPNHNKW-IBGZPJMESA-N 2 1 350.507 0.923 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555515 861125694 /nfs/dbraw/zinc/12/56/94/861125694.db2.gz CCWQCKHOWRFHDE-IBGZPJMESA-N 3 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556421 861127549 /nfs/dbraw/zinc/12/75/49/861127549.db2.gz KKPZKULVKIMSON-LJQANCHMSA-N 2 1 350.507 0.731 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736550 861179954 /nfs/dbraw/zinc/17/99/54/861179954.db2.gz FTYHXOWCFRFVJU-SFHVURJKSA-N 2 1 353.463 0.448 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737420 861180158 /nfs/dbraw/zinc/18/01/58/861180158.db2.gz KOGJGEQGAAMKIQ-BZUAXINKSA-N 2 1 353.463 0.239 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738227 861182120 /nfs/dbraw/zinc/18/21/20/861182120.db2.gz WEZZFQDCWSYFCP-SFHVURJKSA-N 2 1 353.463 0.241 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738089 861182467 /nfs/dbraw/zinc/18/24/67/861182467.db2.gz ULLGJUKPHJQSBI-KSSFIOAISA-N 2 1 353.463 0.098 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2)OC ZINC001275738290 861182487 /nfs/dbraw/zinc/18/24/87/861182487.db2.gz XVZRDPUHLMWDMD-GOSISDBHSA-N 2 1 355.479 0.156 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279914646 863134270 /nfs/dbraw/zinc/13/42/70/863134270.db2.gz SISSACOHHVZBKN-JLVBRIDZSA-N 2 1 350.507 0.585 20 0 FCADMP COCCOC[N@@H+]1CCC2(C1)CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001279975038 863160454 /nfs/dbraw/zinc/16/04/54/863160454.db2.gz BSZLHZHVHNJEOG-UHFFFAOYSA-N 2 1 358.552 0.831 20 0 FCADMP COCCOC[N@H+]1CCC2(C1)CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001279975038 863160465 /nfs/dbraw/zinc/16/04/65/863160465.db2.gz BSZLHZHVHNJEOG-UHFFFAOYSA-N 2 1 358.552 0.831 20 0 FCADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280101065 863265191 /nfs/dbraw/zinc/26/51/91/863265191.db2.gz PUZWTEFWGMVBBU-LSDHHAIUSA-N 2 1 352.479 0.699 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280125681 863276713 /nfs/dbraw/zinc/27/67/13/863276713.db2.gz MZGBFIUIITYGAQ-KURKYZTESA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](C[C@H]4CCCOC4)C3)O2)CC1 ZINC001280135470 863286917 /nfs/dbraw/zinc/28/69/17/863286917.db2.gz IOKGEOLBADSGJF-WBVHZDCISA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+]1CCC(CC[NH+]2CC3(C2)CC[C@H](C(=O)NCC2COC2)O3)CC1 ZINC001280142358 863292166 /nfs/dbraw/zinc/29/21/66/863292166.db2.gz VMQZISUDLGJCEB-QGZVFWFLSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183456 863313608 /nfs/dbraw/zinc/31/36/08/863313608.db2.gz CDIJNXSYGQOIEJ-KVSKMBFKSA-N 2 1 351.491 0.545 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]12 ZINC001280192615 863322069 /nfs/dbraw/zinc/32/20/69/863322069.db2.gz LUZZLVSUHHAJRY-HRCADAONSA-N 2 1 352.479 0.652 20 0 FCADMP NC(=O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCCC(F)(F)F)C[C@@H]12 ZINC001280193700 863323487 /nfs/dbraw/zinc/32/34/87/863323487.db2.gz KAIWNXUGUMQQQZ-RYUDHWBXSA-N 2 1 362.396 0.327 20 0 FCADMP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCCC(F)(F)F)C[C@@H]12 ZINC001280193700 863323495 /nfs/dbraw/zinc/32/34/95/863323495.db2.gz KAIWNXUGUMQQQZ-RYUDHWBXSA-N 2 1 362.396 0.327 20 0 FCADMP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCCC(F)(F)F)C[C@@H]12 ZINC001280193700 863323505 /nfs/dbraw/zinc/32/35/05/863323505.db2.gz KAIWNXUGUMQQQZ-RYUDHWBXSA-N 2 1 362.396 0.327 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](CCN(C)C)C[C@@H]2O1 ZINC001280221401 863345317 /nfs/dbraw/zinc/34/53/17/863345317.db2.gz OTJKPJLPOAXSHR-SQNIBIBYSA-N 2 1 354.539 0.828 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](CCN(C)C)C[C@@H]2O1 ZINC001280221401 863345331 /nfs/dbraw/zinc/34/53/31/863345331.db2.gz OTJKPJLPOAXSHR-SQNIBIBYSA-N 2 1 354.539 0.828 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001280302867 863396202 /nfs/dbraw/zinc/39/62/02/863396202.db2.gz PQKIRTHAYJPYDZ-UHFFFAOYSA-N 2 1 351.495 0.230 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001280302867 863396222 /nfs/dbraw/zinc/39/62/22/863396222.db2.gz PQKIRTHAYJPYDZ-UHFFFAOYSA-N 2 1 351.495 0.230 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1OC ZINC001281847180 863816657 /nfs/dbraw/zinc/81/66/57/863816657.db2.gz BBPOGAFGEBDNGU-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1OC ZINC001281847180 863816666 /nfs/dbraw/zinc/81/66/66/863816666.db2.gz BBPOGAFGEBDNGU-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1OC ZINC001281847180 863816681 /nfs/dbraw/zinc/81/66/81/863816681.db2.gz BBPOGAFGEBDNGU-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001281986928 864021453 /nfs/dbraw/zinc/02/14/53/864021453.db2.gz SCECPONQMMMGHW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001281986928 864021465 /nfs/dbraw/zinc/02/14/65/864021465.db2.gz SCECPONQMMMGHW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001281986928 864021479 /nfs/dbraw/zinc/02/14/79/864021479.db2.gz SCECPONQMMMGHW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803209 866695041 /nfs/dbraw/zinc/69/50/41/866695041.db2.gz KMQFCWARYJZERM-SJORKVTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803209 866695050 /nfs/dbraw/zinc/69/50/50/866695050.db2.gz KMQFCWARYJZERM-SJORKVTESA-N 2 1 350.507 0.526 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(C(C)C)CCO3)n2C)CC1 ZINC001351240220 866819066 /nfs/dbraw/zinc/81/90/66/866819066.db2.gz DALUEHBRWFTXDF-HNNXBMFYSA-N 2 1 352.483 0.365 20 0 FCADMP COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001312995290 867223518 /nfs/dbraw/zinc/22/35/18/867223518.db2.gz USRZNOYVDZIFDH-RRFJBIMHSA-N 2 1 358.483 0.136 20 0 FCADMP COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001312995290 867223534 /nfs/dbraw/zinc/22/35/34/867223534.db2.gz USRZNOYVDZIFDH-RRFJBIMHSA-N 2 1 358.483 0.136 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001313401202 867275829 /nfs/dbraw/zinc/27/58/29/867275829.db2.gz QSQYICNGFJARNO-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001313401202 867275848 /nfs/dbraw/zinc/27/58/48/867275848.db2.gz QSQYICNGFJARNO-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001313401202 867275860 /nfs/dbraw/zinc/27/58/60/867275860.db2.gz QSQYICNGFJARNO-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001313401202 867275871 /nfs/dbraw/zinc/27/58/71/867275871.db2.gz QSQYICNGFJARNO-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001313401202 867275885 /nfs/dbraw/zinc/27/58/85/867275885.db2.gz QSQYICNGFJARNO-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001356616928 868033324 /nfs/dbraw/zinc/03/33/24/868033324.db2.gz BDQKESWYVNLBJD-MJGOQNOKSA-N 2 1 350.459 0.604 20 0 FCADMP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001356616928 868033338 /nfs/dbraw/zinc/03/33/38/868033338.db2.gz BDQKESWYVNLBJD-MJGOQNOKSA-N 2 1 350.459 0.604 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001357896527 868160509 /nfs/dbraw/zinc/16/05/09/868160509.db2.gz DMQGODJTMVQNNK-INIZCTEOSA-N 2 1 359.536 0.732 20 0 FCADMP NC(=O)CCS(=O)(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001324333852 869549377 /nfs/dbraw/zinc/54/93/77/869549377.db2.gz IRYDVAFPWJQMSS-UHFFFAOYSA-N 2 1 359.536 0.865 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC001325830569 870051461 /nfs/dbraw/zinc/05/14/61/870051461.db2.gz XUQXZPFHEBJUDB-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H](C)S(C)(=O)=O ZINC001326104496 870168165 /nfs/dbraw/zinc/16/81/65/870168165.db2.gz JYNODOZGFQQLBA-OLZOCXBDSA-N 2 1 354.476 0.841 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087947 870662623 /nfs/dbraw/zinc/66/26/23/870662623.db2.gz USPPUMVLNYMISI-RDJZCZTQSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087947 870662627 /nfs/dbraw/zinc/66/26/27/870662627.db2.gz USPPUMVLNYMISI-RDJZCZTQSA-N 2 1 350.507 0.907 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327091257 870664327 /nfs/dbraw/zinc/66/43/27/870664327.db2.gz ZITNSDZBPZRUAV-UHFFFAOYSA-N 2 1 366.487 0.738 20 0 FCADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091755 870665733 /nfs/dbraw/zinc/66/57/33/870665733.db2.gz GUNCNDVNOTXCPL-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091755 870665744 /nfs/dbraw/zinc/66/57/44/870665744.db2.gz GUNCNDVNOTXCPL-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@H]21 ZINC001344715641 870991516 /nfs/dbraw/zinc/99/15/16/870991516.db2.gz OKLLDLVPANBFHH-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@H]21 ZINC001344715641 870991522 /nfs/dbraw/zinc/99/15/22/870991522.db2.gz OKLLDLVPANBFHH-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001344727525 870996662 /nfs/dbraw/zinc/99/66/62/870996662.db2.gz HOUPEMMUXXZCGA-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001344727525 870996672 /nfs/dbraw/zinc/99/66/72/870996672.db2.gz HOUPEMMUXXZCGA-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001344727525 870996682 /nfs/dbraw/zinc/99/66/82/870996682.db2.gz HOUPEMMUXXZCGA-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001345964226 871579387 /nfs/dbraw/zinc/57/93/87/871579387.db2.gz CPCLXJGALBWRMY-MHORFTMASA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001345964226 871579399 /nfs/dbraw/zinc/57/93/99/871579399.db2.gz CPCLXJGALBWRMY-MHORFTMASA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001345964226 871579404 /nfs/dbraw/zinc/57/94/04/871579404.db2.gz CPCLXJGALBWRMY-MHORFTMASA-N 2 1 352.523 0.628 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NCC1CC[NH+](C2CC2)CC1 ZINC001346161068 871676815 /nfs/dbraw/zinc/67/68/15/871676815.db2.gz ZSSFTYULIWIZHC-UHFFFAOYSA-N 2 1 352.479 0.609 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)NCC1CC[NH+](C2CC2)CC1 ZINC001346161068 871676830 /nfs/dbraw/zinc/67/68/30/871676830.db2.gz ZSSFTYULIWIZHC-UHFFFAOYSA-N 2 1 352.479 0.609 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001346170553 871681739 /nfs/dbraw/zinc/68/17/39/871681739.db2.gz ZPFMPVAMWGVDBS-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001346170553 871681754 /nfs/dbraw/zinc/68/17/54/871681754.db2.gz ZPFMPVAMWGVDBS-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)n1C ZINC001346378258 871804951 /nfs/dbraw/zinc/80/49/51/871804951.db2.gz PBXIBUDJJQMTRE-ZDUSSCGKSA-N 2 1 350.467 0.444 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C)CC1 ZINC001346696767 871962493 /nfs/dbraw/zinc/96/24/93/871962493.db2.gz UYPKVDAYROPFRB-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001346696767 871962503 /nfs/dbraw/zinc/96/25/03/871962503.db2.gz UYPKVDAYROPFRB-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001346696767 871962511 /nfs/dbraw/zinc/96/25/11/871962511.db2.gz UYPKVDAYROPFRB-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001347182289 872204196 /nfs/dbraw/zinc/20/41/96/872204196.db2.gz DOJANKOVCGHWSY-FUHWJXTLSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001347182289 872204215 /nfs/dbraw/zinc/20/42/15/872204215.db2.gz DOJANKOVCGHWSY-FUHWJXTLSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001347182289 872204234 /nfs/dbraw/zinc/20/42/34/872204234.db2.gz DOJANKOVCGHWSY-FUHWJXTLSA-N 2 1 352.523 0.316 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347335760 872282273 /nfs/dbraw/zinc/28/22/73/872282273.db2.gz NEYDPTNFQAKZGD-RDJZCZTQSA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001347335760 872282306 /nfs/dbraw/zinc/28/23/06/872282306.db2.gz NEYDPTNFQAKZGD-RDJZCZTQSA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001347335760 872282320 /nfs/dbraw/zinc/28/23/20/872282320.db2.gz NEYDPTNFQAKZGD-RDJZCZTQSA-N 2 1 355.527 0.421 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001330593641 872722769 /nfs/dbraw/zinc/72/27/69/872722769.db2.gz VSXCREJZJRGZHI-ZYHUDNBSSA-N 2 1 354.405 0.964 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)CC[C@H]21 ZINC001330619679 872737344 /nfs/dbraw/zinc/73/73/44/872737344.db2.gz RWNNINSFGPWVTA-IJLUTSLNSA-N 2 1 354.405 0.916 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@H]1C ZINC001348852744 872813215 /nfs/dbraw/zinc/81/32/15/872813215.db2.gz OLSWCKBZHANGSJ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@H]1C ZINC001348852744 872813219 /nfs/dbraw/zinc/81/32/19/872813219.db2.gz OLSWCKBZHANGSJ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119786 872967507 /nfs/dbraw/zinc/96/75/07/872967507.db2.gz PXTJMZKWAJSQCG-BPKGMFCQSA-N 2 1 350.507 0.870 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC001331129005 872973459 /nfs/dbraw/zinc/97/34/59/872973459.db2.gz ZVTFSSPTFMOQMF-CAOSSQGBSA-N 2 1 354.495 0.093 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001331916904 873303864 /nfs/dbraw/zinc/30/38/64/873303864.db2.gz SDGCCRPBZGZTOH-AWEZNQCLSA-N 2 1 355.508 0.603 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1)[C@H]1CCC[NH2+]1 ZINC001332414887 873497822 /nfs/dbraw/zinc/49/78/22/873497822.db2.gz FATLDNHUHILKIK-ARFHVFGLSA-N 2 1 357.520 0.391 20 0 FCADMP CC[NH+](CC)C1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001332499611 873531503 /nfs/dbraw/zinc/53/15/03/873531503.db2.gz VGVMUGLJTMVDPG-UHFFFAOYSA-N 2 1 351.499 0.706 20 0 FCADMP CC(C)(C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573765466 948908392 /nfs/dbraw/zinc/90/83/92/948908392.db2.gz IGJUAYPXFNNSMY-UHFFFAOYSA-N 2 1 370.461 0.785 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926237 948992057 /nfs/dbraw/zinc/99/20/57/948992057.db2.gz LOXIDNVLKZUCTL-OLZOCXBDSA-N 2 1 358.450 0.190 20 0 FCADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926871 949024961 /nfs/dbraw/zinc/02/49/61/949024961.db2.gz ZJXKVJLIMGZSKQ-ZDUSSCGKSA-N 2 1 374.493 0.826 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574962832 949737860 /nfs/dbraw/zinc/73/78/60/949737860.db2.gz CQUIYDUGDVCPTO-RDBSUJKOSA-N 2 1 372.477 0.578 20 0 FCADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204764 950473395 /nfs/dbraw/zinc/47/33/95/950473395.db2.gz BYUAGJIQCVEQQX-XJKSGUPXSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205161 950496407 /nfs/dbraw/zinc/49/64/07/950496407.db2.gz VSXINZYMYZYGGB-MLGOLLRUSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214270 950666041 /nfs/dbraw/zinc/66/60/41/950666041.db2.gz OEQZMADJEGBYRZ-AVGNSLFASA-N 2 1 356.434 0.085 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575110238 951936798 /nfs/dbraw/zinc/93/67/98/951936798.db2.gz YKKKCQSBZWCABD-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571077700 952122576 /nfs/dbraw/zinc/12/25/76/952122576.db2.gz FOEPRPPCCOTCJH-HZSPNIEDSA-N 2 1 370.461 0.427 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078134 952126315 /nfs/dbraw/zinc/12/63/15/952126315.db2.gz LWFDYRMQPVFEIR-KBPBESRZSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571078134 952126320 /nfs/dbraw/zinc/12/63/20/952126320.db2.gz LWFDYRMQPVFEIR-KBPBESRZSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105100 952387811 /nfs/dbraw/zinc/38/78/11/952387811.db2.gz HQXREFNTBOOPQQ-GDBMZVCRSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571105293 952393387 /nfs/dbraw/zinc/39/33/87/952393387.db2.gz MQPRWESWYBGUEV-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP COc1cc(C[NH+](CCO)C[C@H](C)O)cc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000293331787 214165416 /nfs/dbraw/zinc/16/54/16/214165416.db2.gz MQEBNCUWYAVBLU-HOTGVXAUSA-N 2 1 370.490 0.045 20 0 FCADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000295156789 214280905 /nfs/dbraw/zinc/28/09/05/214280905.db2.gz GBSLTSCQRKSXJA-BRSBDYLESA-N 2 1 370.877 0.723 20 0 FCADMP COC(=O)COC[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000296573825 214355844 /nfs/dbraw/zinc/35/58/44/214355844.db2.gz WDPLTMDLZLAXFM-HNNXBMFYSA-N 2 1 363.458 0.742 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000410720270 529697168 /nfs/dbraw/zinc/69/71/68/529697168.db2.gz RGXODIGICVNDIZ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000410848226 529861529 /nfs/dbraw/zinc/86/15/29/529861529.db2.gz YGHUJNXJWXUAIQ-QZTJIDSGSA-N 2 1 360.502 0.649 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779162 529886275 /nfs/dbraw/zinc/88/62/75/529886275.db2.gz HLIIRJUTHUIDPM-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410969622 529929576 /nfs/dbraw/zinc/92/95/76/529929576.db2.gz FXMYWOUPOCFVLA-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410969622 529929578 /nfs/dbraw/zinc/92/95/78/529929578.db2.gz FXMYWOUPOCFVLA-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410969622 529929579 /nfs/dbraw/zinc/92/95/79/529929579.db2.gz FXMYWOUPOCFVLA-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)C2)CC1 ZINC000410575378 530050954 /nfs/dbraw/zinc/05/09/54/530050954.db2.gz TTZKPNGNSHONCV-QGZVFWFLSA-N 2 1 362.518 0.873 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[NH+](C)C1 ZINC000331542481 215012545 /nfs/dbraw/zinc/01/25/45/215012545.db2.gz PQMMAIIQEOVVHA-LTIDMASMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[N@H+](C)C1 ZINC000331542481 215012548 /nfs/dbraw/zinc/01/25/48/215012548.db2.gz PQMMAIIQEOVVHA-LTIDMASMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[N@@H+](C)C1 ZINC000331542481 215012549 /nfs/dbraw/zinc/01/25/49/215012549.db2.gz PQMMAIIQEOVVHA-LTIDMASMSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331648848 215029352 /nfs/dbraw/zinc/02/93/52/215029352.db2.gz JZEHARSJHGGBPK-RVKKMQEKSA-N 2 1 368.547 0.625 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331648848 215029354 /nfs/dbraw/zinc/02/93/54/215029354.db2.gz JZEHARSJHGGBPK-RVKKMQEKSA-N 2 1 368.547 0.625 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCCC1 ZINC000331692028 215035790 /nfs/dbraw/zinc/03/57/90/215035790.db2.gz VFHSQYPCGOKYPF-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000331797953 215048306 /nfs/dbraw/zinc/04/83/06/215048306.db2.gz LSFIGPBULVUKFZ-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000332128376 215098138 /nfs/dbraw/zinc/09/81/38/215098138.db2.gz HNFHLJHXWPEKOF-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000332128376 215098141 /nfs/dbraw/zinc/09/81/41/215098141.db2.gz HNFHLJHXWPEKOF-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000332128376 215098143 /nfs/dbraw/zinc/09/81/43/215098143.db2.gz HNFHLJHXWPEKOF-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332133185 215099152 /nfs/dbraw/zinc/09/91/52/215099152.db2.gz IPVQGKPYBSLCIB-OTBWCIGPSA-N 2 1 350.507 0.918 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332212373 215110516 /nfs/dbraw/zinc/11/05/16/215110516.db2.gz KAERKAKMJRQTPN-ARFHVFGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000332293318 215124108 /nfs/dbraw/zinc/12/41/08/215124108.db2.gz NSTNODSHKDHNLU-KYHPRHEASA-N 2 1 358.486 0.913 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000332293318 215124111 /nfs/dbraw/zinc/12/41/11/215124111.db2.gz NSTNODSHKDHNLU-KYHPRHEASA-N 2 1 358.486 0.913 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1[NH3+] ZINC000332296597 215125713 /nfs/dbraw/zinc/12/57/13/215125713.db2.gz OWEBVGZEHRPWDE-WBVHZDCISA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1[NH3+] ZINC000332296597 215125718 /nfs/dbraw/zinc/12/57/18/215125718.db2.gz OWEBVGZEHRPWDE-WBVHZDCISA-N 2 1 358.486 0.915 20 0 FCADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000332345566 215133682 /nfs/dbraw/zinc/13/36/82/215133682.db2.gz YCGXRHPOCYIJQK-XOYOTBSWSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332646851 215197908 /nfs/dbraw/zinc/19/79/08/215197908.db2.gz XGDOTRBQVDAJMV-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS[C@H]3COCC[C@H]32)C1 ZINC000332978925 215220794 /nfs/dbraw/zinc/22/07/94/215220794.db2.gz KBMSALYEGBDZKS-ZACQAIPSSA-N 2 1 371.547 0.666 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCS[C@H]3COCC[C@H]32)C1 ZINC000332978925 215220796 /nfs/dbraw/zinc/22/07/96/215220796.db2.gz KBMSALYEGBDZKS-ZACQAIPSSA-N 2 1 371.547 0.666 20 0 FCADMP O=C(C[NH+]1CCC(N2CCCNC2=O)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000333054927 215229766 /nfs/dbraw/zinc/22/97/66/215229766.db2.gz HNNMXECWAIEBKX-UHFFFAOYSA-N 2 1 363.506 0.609 20 0 FCADMP Cn1ccnc1[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1C ZINC000333204014 215249172 /nfs/dbraw/zinc/24/91/72/215249172.db2.gz BKVMIIYMEBZZAO-IAGOWNOFSA-N 2 1 361.490 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CC(C)(C)O ZINC000333282119 215259006 /nfs/dbraw/zinc/25/90/06/215259006.db2.gz PPSNVYZJOQTAFK-PBHICJAKSA-N 2 1 358.552 0.910 20 0 FCADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333367412 215270812 /nfs/dbraw/zinc/27/08/12/215270812.db2.gz DYATUKKFYKEPRT-UYSNPLJNSA-N 2 1 361.494 0.149 20 0 FCADMP CC1(C)COCCN1CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333421512 215279679 /nfs/dbraw/zinc/27/96/79/215279679.db2.gz SOOJPSMPPRIAAI-UHFFFAOYSA-N 2 1 367.538 0.613 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000333402492 215277047 /nfs/dbraw/zinc/27/70/47/215277047.db2.gz QCXKWJOKUFTNLX-ZACQAIPSSA-N 2 1 360.506 0.984 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333593378 215299847 /nfs/dbraw/zinc/29/98/47/215299847.db2.gz BFUNBFTXOQTUNG-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333593378 215299849 /nfs/dbraw/zinc/29/98/49/215299849.db2.gz BFUNBFTXOQTUNG-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333641274 215303343 /nfs/dbraw/zinc/30/33/43/215303343.db2.gz IHQFHZVXXRNXDA-KGLIPLIRSA-N 2 1 363.428 0.702 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333715962 215312600 /nfs/dbraw/zinc/31/26/00/215312600.db2.gz NBWIZGZKZXKOLG-MSOLQXFVSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333765825 215317092 /nfs/dbraw/zinc/31/70/92/215317092.db2.gz QGDGIMGLEDRJOF-SJORKVTESA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333765825 215317097 /nfs/dbraw/zinc/31/70/97/215317097.db2.gz QGDGIMGLEDRJOF-SJORKVTESA-N 2 1 366.506 0.794 20 0 FCADMP C[NH+](C)CC1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000333802984 215320145 /nfs/dbraw/zinc/32/01/45/215320145.db2.gz OJEUXNBOROFUKG-MRXNPFEDSA-N 2 1 365.522 0.714 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333790302 215318611 /nfs/dbraw/zinc/31/86/11/215318611.db2.gz GBLPYGXEGOXFSX-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000333807379 215320908 /nfs/dbraw/zinc/32/09/08/215320908.db2.gz IRPPIWNEHDEURF-NCOADZHNSA-N 2 1 354.495 0.648 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811423 215322107 /nfs/dbraw/zinc/32/21/07/215322107.db2.gz JJJNBSRZUBXWRE-KURKYZTESA-N 2 1 367.538 0.421 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333864549 215325586 /nfs/dbraw/zinc/32/55/86/215325586.db2.gz SRRUOYHFUWRWLP-MAUKXSAKSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855636 215326518 /nfs/dbraw/zinc/32/65/18/215326518.db2.gz QVWONLPGBIOODP-IAGOWNOFSA-N 2 1 365.522 0.842 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333891216 215328398 /nfs/dbraw/zinc/32/83/98/215328398.db2.gz GYPSVWQWIMIKJC-QBPKDAKJSA-N 2 1 363.506 0.323 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000333909959 215329796 /nfs/dbraw/zinc/32/97/96/215329796.db2.gz LACUZAADYUOCFK-KRWDZBQOSA-N 2 1 359.474 0.707 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000333919534 215330680 /nfs/dbraw/zinc/33/06/80/215330680.db2.gz PFJXLUGIHGJVCU-MSOLQXFVSA-N 2 1 371.485 0.578 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333952107 215333289 /nfs/dbraw/zinc/33/32/89/215333289.db2.gz ZQXLNQQBFASRFE-MJBXVCDLSA-N 2 1 363.428 0.749 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333938623 215333506 /nfs/dbraw/zinc/33/35/06/215333506.db2.gz MPOYLFOAERPGGD-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000285364062 213330584 /nfs/dbraw/zinc/33/05/84/213330584.db2.gz ZAYLUIRYKJJGGG-QGZVFWFLSA-N 2 1 360.502 0.876 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCN1CCc2ccccc2C1)C1CC1 ZINC000284717286 213204292 /nfs/dbraw/zinc/20/42/92/213204292.db2.gz YAUOIKDHNWPKNE-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000284717286 213204296 /nfs/dbraw/zinc/20/42/96/213204296.db2.gz YAUOIKDHNWPKNE-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000284717286 213204300 /nfs/dbraw/zinc/20/43/00/213204300.db2.gz YAUOIKDHNWPKNE-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000284717286 213204308 /nfs/dbraw/zinc/20/43/08/213204308.db2.gz YAUOIKDHNWPKNE-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284556584 213168080 /nfs/dbraw/zinc/16/80/80/213168080.db2.gz VKNJGAUMGBPTJI-HUUCEWRRSA-N 2 1 350.463 0.941 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284446571 213142021 /nfs/dbraw/zinc/14/20/21/213142021.db2.gz PNZHPDQHRGHYJX-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284446571 213142025 /nfs/dbraw/zinc/14/20/25/213142025.db2.gz PNZHPDQHRGHYJX-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284322080 213111043 /nfs/dbraw/zinc/11/10/43/213111043.db2.gz JKSSHUXLCFQXAI-KFWWJZLASA-N 2 1 350.463 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284322080 213111047 /nfs/dbraw/zinc/11/10/47/213111047.db2.gz JKSSHUXLCFQXAI-KFWWJZLASA-N 2 1 350.463 0.797 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182833 213093028 /nfs/dbraw/zinc/09/30/28/213093028.db2.gz RDFACZLULVNBLZ-KDOFPFPSSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284137839 213082566 /nfs/dbraw/zinc/08/25/66/213082566.db2.gz DMLDUAGETINGGO-SJORKVTESA-N 2 1 362.474 0.913 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000283962723 213044541 /nfs/dbraw/zinc/04/45/41/213044541.db2.gz IAMDOEGCXLIGJZ-HNNXBMFYSA-N 2 1 370.519 0.504 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283858305 213021241 /nfs/dbraw/zinc/02/12/41/213021241.db2.gz BFJFJCTUJFIFCC-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283858305 213021244 /nfs/dbraw/zinc/02/12/44/213021244.db2.gz BFJFJCTUJFIFCC-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283858305 213021248 /nfs/dbraw/zinc/02/12/48/213021248.db2.gz BFJFJCTUJFIFCC-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283858305 213021251 /nfs/dbraw/zinc/02/12/51/213021251.db2.gz BFJFJCTUJFIFCC-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1COC ZINC000411911245 237100140 /nfs/dbraw/zinc/10/01/40/237100140.db2.gz NINZTOWVKVEDDS-MUGJNUQGSA-N 2 1 364.486 0.850 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000413613960 237366278 /nfs/dbraw/zinc/36/62/78/237366278.db2.gz VOTMTMLODBXXAA-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000413613960 237366280 /nfs/dbraw/zinc/36/62/80/237366280.db2.gz VOTMTMLODBXXAA-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959672 216056820 /nfs/dbraw/zinc/05/68/20/216056820.db2.gz FNPLJSQCIIKZLL-UGUYLWEFSA-N 2 1 354.470 0.478 20 0 FCADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000367046316 216068491 /nfs/dbraw/zinc/06/84/91/216068491.db2.gz VTCNMVQBCCEPMA-GOSISDBHSA-N 2 1 350.507 0.480 20 0 FCADMP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000367043046 216067256 /nfs/dbraw/zinc/06/72/56/216067256.db2.gz MWDXQWDWKDDKDR-KRWDZBQOSA-N 2 1 360.568 0.805 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000367649656 216146137 /nfs/dbraw/zinc/14/61/37/216146137.db2.gz VWWWXASRMAZYEC-HNNXBMFYSA-N 2 1 359.536 0.924 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654266 216147649 /nfs/dbraw/zinc/14/76/49/216147649.db2.gz URNGGSFULFSSLP-GASCZTMLSA-N 2 1 359.536 0.637 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368188350 216214188 /nfs/dbraw/zinc/21/41/88/216214188.db2.gz CFELCPYYIRKBMR-DLBZAZTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368188350 216214191 /nfs/dbraw/zinc/21/41/91/216214191.db2.gz CFELCPYYIRKBMR-DLBZAZTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368188350 216214193 /nfs/dbraw/zinc/21/41/93/216214193.db2.gz CFELCPYYIRKBMR-DLBZAZTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CC[NH+](C)C ZINC000368188350 216214197 /nfs/dbraw/zinc/21/41/97/216214197.db2.gz CFELCPYYIRKBMR-DLBZAZTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)CC[NH+](C)C ZINC000368188350 216214199 /nfs/dbraw/zinc/21/41/99/216214199.db2.gz CFELCPYYIRKBMR-DLBZAZTESA-N 2 1 355.527 0.375 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000246513587 209388954 /nfs/dbraw/zinc/38/89/54/209388954.db2.gz UGXMUMKMDYIEEP-LSDHHAIUSA-N 2 1 362.478 0.326 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246410980 209388317 /nfs/dbraw/zinc/38/83/17/209388317.db2.gz BMQMQCGGNYEUEH-LZWOXQAQSA-N 2 1 352.479 0.796 20 0 FCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246145432 209380197 /nfs/dbraw/zinc/38/01/97/209380197.db2.gz OHGSAYIORONHFA-GVDBMIGSSA-N 2 1 354.495 0.459 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246145432 209380199 /nfs/dbraw/zinc/38/01/99/209380199.db2.gz OHGSAYIORONHFA-GVDBMIGSSA-N 2 1 354.495 0.459 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000245706064 209375094 /nfs/dbraw/zinc/37/50/94/209375094.db2.gz OGGAXRPEBCKWHE-ZWKOTPCHSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245706064 209375095 /nfs/dbraw/zinc/37/50/95/209375095.db2.gz OGGAXRPEBCKWHE-ZWKOTPCHSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000245706064 209375099 /nfs/dbraw/zinc/37/50/99/209375099.db2.gz OGGAXRPEBCKWHE-ZWKOTPCHSA-N 2 1 353.507 0.983 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)CC1=O ZINC000368598133 216269588 /nfs/dbraw/zinc/26/95/88/216269588.db2.gz MQCUDTUSXGLMGN-ORDFZIBCSA-N 2 1 350.507 0.822 20 0 FCADMP C[NH+]1CCCN(C(=O)CCSCCC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000368738373 216289502 /nfs/dbraw/zinc/28/95/02/216289502.db2.gz UFQQPSUGMKIPBW-UHFFFAOYSA-N 2 1 370.563 0.828 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCO[C@H](C)C3)CC2)CC1 ZINC000191489219 209286761 /nfs/dbraw/zinc/28/67/61/209286761.db2.gz YRCLPLZRHGCJSV-GOSISDBHSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000369025478 216333226 /nfs/dbraw/zinc/33/32/26/216333226.db2.gz DUHVLJXTNAENJD-BRWVUGGUSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000369025478 216333229 /nfs/dbraw/zinc/33/32/29/216333229.db2.gz DUHVLJXTNAENJD-BRWVUGGUSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000369025478 216333231 /nfs/dbraw/zinc/33/32/31/216333231.db2.gz DUHVLJXTNAENJD-BRWVUGGUSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000369390641 216393993 /nfs/dbraw/zinc/39/39/93/216393993.db2.gz CIVVOWOEHWXTTD-KZNAEPCWSA-N 2 1 352.523 0.770 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000369390641 216393995 /nfs/dbraw/zinc/39/39/95/216393995.db2.gz CIVVOWOEHWXTTD-KZNAEPCWSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401139 216396755 /nfs/dbraw/zinc/39/67/55/216396755.db2.gz KQDKZSLROAWSLZ-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188586782 209234409 /nfs/dbraw/zinc/23/44/09/209234409.db2.gz HCXZXKNZVYUBAM-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP CCS(=O)(=O)NCCN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188298112 209228113 /nfs/dbraw/zinc/22/81/13/209228113.db2.gz LGOKGZLAULHJFM-KRWDZBQOSA-N 2 1 355.504 0.495 20 0 FCADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1(C)C ZINC000188122918 209223559 /nfs/dbraw/zinc/22/35/59/209223559.db2.gz QJDILPBXNNZDFA-LPHOPBHVSA-N 2 1 354.539 0.909 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187838461 209219852 /nfs/dbraw/zinc/21/98/52/209219852.db2.gz KPKIIBBFINKTQF-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000187818923 209218968 /nfs/dbraw/zinc/21/89/68/209218968.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 1 374.485 0.874 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000187818923 209218971 /nfs/dbraw/zinc/21/89/71/209218971.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 1 374.485 0.874 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760831 245321825 /nfs/dbraw/zinc/32/18/25/245321825.db2.gz RPAJBKLGKSYJMG-AQNXPRMDSA-N 2 1 372.513 0.769 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000415090243 245346756 /nfs/dbraw/zinc/34/67/56/245346756.db2.gz XSGYPDHYIJGUOS-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000415090243 245346760 /nfs/dbraw/zinc/34/67/60/245346760.db2.gz XSGYPDHYIJGUOS-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415064557 245346965 /nfs/dbraw/zinc/34/69/65/245346965.db2.gz KZOQHKQEEJNMBG-ZDUSSCGKSA-N 2 1 363.462 0.942 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1 ZINC000415233079 245366279 /nfs/dbraw/zinc/36/62/79/245366279.db2.gz UVLJFNOIGPRUAI-HNNXBMFYSA-N 2 1 363.506 0.987 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000415233079 245366286 /nfs/dbraw/zinc/36/62/86/245366286.db2.gz UVLJFNOIGPRUAI-HNNXBMFYSA-N 2 1 363.506 0.987 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000415306454 245382225 /nfs/dbraw/zinc/38/22/25/245382225.db2.gz TXILMUUEQRDYNN-UHFFFAOYSA-N 2 1 374.485 0.697 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000184063836 209157291 /nfs/dbraw/zinc/15/72/91/209157291.db2.gz DVTRVIDDFSDNAE-MRXNPFEDSA-N 2 1 363.506 0.778 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000374782363 217172110 /nfs/dbraw/zinc/17/21/10/217172110.db2.gz USHWHINNFVVDJK-OAHLLOKOSA-N 2 1 354.520 0.190 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000374782363 217172113 /nfs/dbraw/zinc/17/21/13/217172113.db2.gz USHWHINNFVVDJK-OAHLLOKOSA-N 2 1 354.520 0.190 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC[N@H+]1C ZINC000947069645 674124998 /nfs/dbraw/zinc/12/49/98/674124998.db2.gz ZQIDBPABXUKYRJ-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745185 217307323 /nfs/dbraw/zinc/30/73/23/217307323.db2.gz PYFXRZYEMWKUGC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745185 217307328 /nfs/dbraw/zinc/30/73/28/217307328.db2.gz PYFXRZYEMWKUGC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745185 217307333 /nfs/dbraw/zinc/30/73/33/217307333.db2.gz PYFXRZYEMWKUGC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745185 217307338 /nfs/dbraw/zinc/30/73/38/217307338.db2.gz PYFXRZYEMWKUGC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434751 217398617 /nfs/dbraw/zinc/39/86/17/217398617.db2.gz JGUCBDZDYNCVLJ-SJORKVTESA-N 2 1 367.538 0.517 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000418856682 245868995 /nfs/dbraw/zinc/86/89/95/245868995.db2.gz XFRHJRLXYUFAON-DNVCBOLYSA-N 2 1 362.474 0.611 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419112974 245988796 /nfs/dbraw/zinc/98/87/96/245988796.db2.gz GITASSHVUOBQIH-IKGGRYGDSA-N 2 1 368.522 0.626 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419126700 246001122 /nfs/dbraw/zinc/00/11/22/246001122.db2.gz NRJCOHPOMJMMMA-ULQDDVLXSA-N 2 1 367.538 0.008 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419129470 246005117 /nfs/dbraw/zinc/00/51/17/246005117.db2.gz DDWDLXUKVUJWRN-NQIIRXRSSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419154329 246019619 /nfs/dbraw/zinc/01/96/19/246019619.db2.gz RHCHIAATADTGKF-UONOGXRCSA-N 2 1 352.504 0.787 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419133038 246006264 /nfs/dbraw/zinc/00/62/64/246006264.db2.gz IHDRNMKDKYZFHV-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419131325 246007226 /nfs/dbraw/zinc/00/72/26/246007226.db2.gz GQEZLIVTOOMXCX-JZXOWHBKSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000419131643 246007545 /nfs/dbraw/zinc/00/75/45/246007545.db2.gz CYYNFMPMHJYUMT-QGZVFWFLSA-N 2 1 352.523 0.929 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419140345 246011764 /nfs/dbraw/zinc/01/17/64/246011764.db2.gz VSWGNZKBYLVFFC-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419143067 246013738 /nfs/dbraw/zinc/01/37/38/246013738.db2.gz YRQXFQFSSNACNA-SJLPKXTDSA-N 2 1 358.486 0.883 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166132 246028546 /nfs/dbraw/zinc/02/85/46/246028546.db2.gz ONPAHIFOOLZWJD-QZTJIDSGSA-N 2 1 374.485 0.247 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419168066 246030784 /nfs/dbraw/zinc/03/07/84/246030784.db2.gz JYNQCAPYGONCDA-SOUVJXGZSA-N 2 1 354.495 0.452 20 0 FCADMP NCC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419173223 246033452 /nfs/dbraw/zinc/03/34/52/246033452.db2.gz SIBKJNFLOXDBNC-OAHLLOKOSA-N 2 1 368.428 0.377 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419173223 246033456 /nfs/dbraw/zinc/03/34/56/246033456.db2.gz SIBKJNFLOXDBNC-OAHLLOKOSA-N 2 1 368.428 0.377 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419173223 246033460 /nfs/dbraw/zinc/03/34/60/246033460.db2.gz SIBKJNFLOXDBNC-OAHLLOKOSA-N 2 1 368.428 0.377 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419171219 246033648 /nfs/dbraw/zinc/03/36/48/246033648.db2.gz OLMXOAFXIHBTDP-GOSISDBHSA-N 2 1 358.486 0.489 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000419175758 246035426 /nfs/dbraw/zinc/03/54/26/246035426.db2.gz YAHPGBWIYYKRMC-QGZVFWFLSA-N 2 1 358.486 0.665 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419188381 246044214 /nfs/dbraw/zinc/04/42/14/246044214.db2.gz SNTOXTHQGNMAHT-HOTGVXAUSA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000419211494 246056225 /nfs/dbraw/zinc/05/62/25/246056225.db2.gz SKGXXULJQQDOPD-ZDUSSCGKSA-N 2 1 366.428 0.835 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000419211494 246056231 /nfs/dbraw/zinc/05/62/31/246056231.db2.gz SKGXXULJQQDOPD-ZDUSSCGKSA-N 2 1 366.428 0.835 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)CCC(F)(F)F ZINC000419212820 246057131 /nfs/dbraw/zinc/05/71/31/246057131.db2.gz VHKGIEGMNYRPBX-VXGBXAGGSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)CCC(F)(F)F ZINC000419212820 246057138 /nfs/dbraw/zinc/05/71/38/246057138.db2.gz VHKGIEGMNYRPBX-VXGBXAGGSA-N 2 1 352.401 0.573 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419229503 246067160 /nfs/dbraw/zinc/06/71/60/246067160.db2.gz HOPZOKXAJMXGTJ-STQMWFEESA-N 2 1 352.504 0.583 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419229503 246067166 /nfs/dbraw/zinc/06/71/66/246067166.db2.gz HOPZOKXAJMXGTJ-STQMWFEESA-N 2 1 352.504 0.583 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419216029 246058241 /nfs/dbraw/zinc/05/82/41/246058241.db2.gz OVSQCOCMFAVFSC-RVKKMQEKSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419213892 246058456 /nfs/dbraw/zinc/05/84/56/246058456.db2.gz WYNFTPISSCGDJT-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C1 ZINC000419212986 246059233 /nfs/dbraw/zinc/05/92/33/246059233.db2.gz KYBRQKUCXKHYIE-INIZCTEOSA-N 2 1 358.486 0.967 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419226911 246063832 /nfs/dbraw/zinc/06/38/32/246063832.db2.gz FAGJPGAHOIHLFN-ZIAGYGMSSA-N 2 1 364.515 0.679 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419226911 246063838 /nfs/dbraw/zinc/06/38/38/246063838.db2.gz FAGJPGAHOIHLFN-ZIAGYGMSSA-N 2 1 364.515 0.679 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419227343 246065411 /nfs/dbraw/zinc/06/54/11/246065411.db2.gz FRKVCPMMCQNZMW-BZUAXINKSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419227343 246065415 /nfs/dbraw/zinc/06/54/15/246065415.db2.gz FRKVCPMMCQNZMW-BZUAXINKSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231191 246067537 /nfs/dbraw/zinc/06/75/37/246067537.db2.gz RKBBFDHGVRXPQX-BPUTZDHNSA-N 2 1 366.506 0.596 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419227748 246066668 /nfs/dbraw/zinc/06/66/68/246066668.db2.gz GCNQTTFIRMKLJS-IPYPFGDCSA-N 2 1 364.515 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419227748 246066673 /nfs/dbraw/zinc/06/66/73/246066673.db2.gz GCNQTTFIRMKLJS-IPYPFGDCSA-N 2 1 364.515 0.855 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419198610 246049171 /nfs/dbraw/zinc/04/91/71/246049171.db2.gz CVTUQDYPTBOGSP-FUHWJXTLSA-N 2 1 358.486 0.883 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)CCC(F)(F)F ZINC000419201978 246051066 /nfs/dbraw/zinc/05/10/66/246051066.db2.gz GOGYBKPLEVTEIX-UHFFFAOYSA-N 2 1 352.401 0.587 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419238690 246072891 /nfs/dbraw/zinc/07/28/91/246072891.db2.gz DMPZZAVMOGSBDL-VQFNDLOPSA-N 2 1 360.502 0.937 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249262 246076976 /nfs/dbraw/zinc/07/69/76/246076976.db2.gz YLDRFBRHSNUALR-ZTFGCOKTSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249262 246076980 /nfs/dbraw/zinc/07/69/80/246076980.db2.gz YLDRFBRHSNUALR-ZTFGCOKTSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419249304 246077513 /nfs/dbraw/zinc/07/75/13/246077513.db2.gz YOTRFTCQGXBDKM-MBNYWOFBSA-N 2 1 350.488 0.417 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419249304 246077517 /nfs/dbraw/zinc/07/75/17/246077517.db2.gz YOTRFTCQGXBDKM-MBNYWOFBSA-N 2 1 350.488 0.417 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419264152 246078226 /nfs/dbraw/zinc/07/82/26/246078226.db2.gz ANVXGVOERSYMOG-SFHVURJKSA-N 2 1 374.485 0.345 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000419304937 246093032 /nfs/dbraw/zinc/09/30/32/246093032.db2.gz VIWOTHDVWPSEIY-CVEARBPZSA-N 2 1 373.501 0.918 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329486 246099309 /nfs/dbraw/zinc/09/93/09/246099309.db2.gz GJYVIBDYPFAKLL-RUGDWHBFSA-N 2 1 356.470 0.539 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419324838 246101420 /nfs/dbraw/zinc/10/14/20/246101420.db2.gz WDHUFCYGLPPZGJ-URLYELCFSA-N 2 1 374.460 0.820 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000419294365 246089305 /nfs/dbraw/zinc/08/93/05/246089305.db2.gz BPYADGYIXFJTGE-DOTOQJQBSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000419298239 246089751 /nfs/dbraw/zinc/08/97/51/246089751.db2.gz HVQGNNSNLCUISB-INIZCTEOSA-N 2 1 359.474 0.685 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccsc1 ZINC000419379026 246125556 /nfs/dbraw/zinc/12/55/56/246125556.db2.gz WAECIMKCVDDJIK-LBPRGKRZSA-N 2 1 362.446 0.957 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419386669 246126626 /nfs/dbraw/zinc/12/66/26/246126626.db2.gz BVYLCXDCNGCXNM-JKSUJKDBSA-N 2 1 362.499 0.280 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419386669 246126628 /nfs/dbraw/zinc/12/66/28/246126628.db2.gz BVYLCXDCNGCXNM-JKSUJKDBSA-N 2 1 362.499 0.280 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419391308 246129789 /nfs/dbraw/zinc/12/97/89/246129789.db2.gz JSOYQVKBTIUVPY-MSOLQXFVSA-N 2 1 374.485 0.126 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419388632 246130064 /nfs/dbraw/zinc/13/00/64/246130064.db2.gz SHANMUDPBWGJGX-OCCSQVGLSA-N 2 1 351.451 0.317 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000419356911 246115689 /nfs/dbraw/zinc/11/56/89/246115689.db2.gz OOLQFZWNVYRUAP-MRXNPFEDSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419396012 246133264 /nfs/dbraw/zinc/13/32/64/246133264.db2.gz RUHUHLXQUWZANP-WMLDXEAASA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419396012 246133267 /nfs/dbraw/zinc/13/32/67/246133267.db2.gz RUHUHLXQUWZANP-WMLDXEAASA-N 2 1 374.485 0.390 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401131 246134886 /nfs/dbraw/zinc/13/48/86/246134886.db2.gz OIFRMRBALHRUDW-INIZCTEOSA-N 2 1 362.499 0.056 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401131 246134888 /nfs/dbraw/zinc/13/48/88/246134888.db2.gz OIFRMRBALHRUDW-INIZCTEOSA-N 2 1 362.499 0.056 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399689 246135136 /nfs/dbraw/zinc/13/51/36/246135136.db2.gz KDJJWDOCCJWQFG-RYQLBKOJSA-N 2 1 374.485 0.199 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419398450 246135653 /nfs/dbraw/zinc/13/56/53/246135653.db2.gz XCAVNQQJSWHEKY-GOSISDBHSA-N 2 1 360.502 0.993 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419398450 246135656 /nfs/dbraw/zinc/13/56/56/246135656.db2.gz XCAVNQQJSWHEKY-GOSISDBHSA-N 2 1 360.502 0.993 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399325 246135883 /nfs/dbraw/zinc/13/58/83/246135883.db2.gz YSGSZWQNQRRRMZ-FUHWJXTLSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399325 246135888 /nfs/dbraw/zinc/13/58/88/246135888.db2.gz YSGSZWQNQRRRMZ-FUHWJXTLSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419401979 246136994 /nfs/dbraw/zinc/13/69/94/246136994.db2.gz BRGDKTAZMPKQEA-OAHLLOKOSA-N 2 1 354.495 0.191 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000419406605 246138692 /nfs/dbraw/zinc/13/86/92/246138692.db2.gz JFNINMRVAVWEHA-QAPCUYQASA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404613 246139606 /nfs/dbraw/zinc/13/96/06/246139606.db2.gz UDVDWCZNGREINA-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404535 246140224 /nfs/dbraw/zinc/14/02/24/246140224.db2.gz TXRJKYYWXLIKRN-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404536 246140300 /nfs/dbraw/zinc/14/03/00/246140300.db2.gz TXRJKYYWXLIKRN-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419408265 246141754 /nfs/dbraw/zinc/14/17/54/246141754.db2.gz LRBFLVKUUZSPPW-ZWKOTPCHSA-N 2 1 358.486 0.808 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419408261 246142173 /nfs/dbraw/zinc/14/21/73/246142173.db2.gz LRBFLVKUUZSPPW-MSOLQXFVSA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419426256 246156851 /nfs/dbraw/zinc/15/68/51/246156851.db2.gz QOPNWFVQIWOJPJ-INIZCTEOSA-N 2 1 358.486 0.667 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419428525 246158849 /nfs/dbraw/zinc/15/88/49/246158849.db2.gz SZXQIGOYYBJERJ-FQEVSTJZSA-N 2 1 358.486 0.748 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419427613 246160041 /nfs/dbraw/zinc/16/00/41/246160041.db2.gz RYWDNNXYERXROL-INIZCTEOSA-N 2 1 358.486 0.619 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451878 246170255 /nfs/dbraw/zinc/17/02/55/246170255.db2.gz OCZRKWQXTTZHRD-INIZCTEOSA-N 2 1 361.490 0.039 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419419428 246152902 /nfs/dbraw/zinc/15/29/02/246152902.db2.gz ZHJWQZWEEQRNDJ-ZWKOTPCHSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419503402 246182498 /nfs/dbraw/zinc/18/24/98/246182498.db2.gz HJHMOAUQLAVPON-INIZCTEOSA-N 2 1 361.490 0.168 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419523159 246190120 /nfs/dbraw/zinc/19/01/20/246190120.db2.gz AGCDWUXAFCZXQU-SJORKVTESA-N 2 1 362.474 0.372 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525034 246192684 /nfs/dbraw/zinc/19/26/84/246192684.db2.gz CTIZNKPLPLGBDN-GXTWGEPZSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525034 246192687 /nfs/dbraw/zinc/19/26/87/246192687.db2.gz CTIZNKPLPLGBDN-GXTWGEPZSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419525112 246193165 /nfs/dbraw/zinc/19/31/65/246193165.db2.gz CVTDEAFUZJUXAK-CWLKWCNXSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537305 246194867 /nfs/dbraw/zinc/19/48/67/246194867.db2.gz VRMGNXFSGFYZNA-YJBOKZPZSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537956 246195025 /nfs/dbraw/zinc/19/50/25/246195025.db2.gz WJCLRLMEVVDSBV-YSHGAJCASA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419558770 246201545 /nfs/dbraw/zinc/20/15/45/246201545.db2.gz OGUMXSKVGQRJNU-KKBVYLPWSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419561751 246201871 /nfs/dbraw/zinc/20/18/71/246201871.db2.gz UCYAEQDDFROWFU-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655130 246233696 /nfs/dbraw/zinc/23/36/96/246233696.db2.gz HFQZYCGBAAQWJK-NXHRZFHOSA-N 2 1 374.485 0.260 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650623 246230469 /nfs/dbraw/zinc/23/04/69/246230469.db2.gz OGHIYXJULDLNER-JCGIZDLHSA-N 2 1 356.470 0.540 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000419665702 246237847 /nfs/dbraw/zinc/23/78/47/246237847.db2.gz URXVEGAHHAZJLA-JOCBIADPSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000419704422 246259351 /nfs/dbraw/zinc/25/93/51/246259351.db2.gz GMKHFPLHEUVVAG-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CNCCN1C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419705739 246261140 /nfs/dbraw/zinc/26/11/40/246261140.db2.gz BEQAKKAKWYJWMP-CYBMUJFWSA-N 2 1 364.877 0.635 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419709954 246263929 /nfs/dbraw/zinc/26/39/29/246263929.db2.gz PSBPWWZLDBZZJS-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419709953 246264286 /nfs/dbraw/zinc/26/42/86/246264286.db2.gz PSBPWWZLDBZZJS-NJAFHUGGSA-N 2 1 374.485 0.342 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000419764450 246288433 /nfs/dbraw/zinc/28/84/33/246288433.db2.gz PKARZOPBDCOASJ-GOSISDBHSA-N 2 1 358.486 0.881 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419801204 246299259 /nfs/dbraw/zinc/29/92/59/246299259.db2.gz AWFCFVLBSXWOHF-YESZJQIVSA-N 2 1 374.485 0.991 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419725968 246273071 /nfs/dbraw/zinc/27/30/71/246273071.db2.gz SYKMLTQUKBGFLH-UHFFFAOYSA-N 2 1 368.428 0.899 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419870811 246340081 /nfs/dbraw/zinc/34/00/81/246340081.db2.gz SLNHUPZKYGBGSW-SFHVURJKSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419870811 246340088 /nfs/dbraw/zinc/34/00/88/246340088.db2.gz SLNHUPZKYGBGSW-SFHVURJKSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1 ZINC000419831407 246311049 /nfs/dbraw/zinc/31/10/49/246311049.db2.gz LYGHIVNFDZYDFK-UHFFFAOYSA-N 2 1 362.474 0.585 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1 ZINC000419831407 246311055 /nfs/dbraw/zinc/31/10/55/246311055.db2.gz LYGHIVNFDZYDFK-UHFFFAOYSA-N 2 1 362.474 0.585 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])C[C@H](C)O1 ZINC000419835221 246311568 /nfs/dbraw/zinc/31/15/68/246311568.db2.gz YHYLDNGBSMBZEV-GJZGRUSLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000419834969 246312709 /nfs/dbraw/zinc/31/27/09/246312709.db2.gz UPKRTULMHXGMSD-RDJZCZTQSA-N 2 1 367.538 0.010 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419845634 246319275 /nfs/dbraw/zinc/31/92/75/246319275.db2.gz FCDHLBLTOKRROE-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419845634 246319279 /nfs/dbraw/zinc/31/92/79/246319279.db2.gz FCDHLBLTOKRROE-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419851286 246321483 /nfs/dbraw/zinc/32/14/83/246321483.db2.gz ARXQPIAFZRPHOB-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419860887 246330439 /nfs/dbraw/zinc/33/04/39/246330439.db2.gz LISXAXMCVADGLB-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862628 246331854 /nfs/dbraw/zinc/33/18/54/246331854.db2.gz MYQSQFNRTPQFBB-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419932196 246376592 /nfs/dbraw/zinc/37/65/92/246376592.db2.gz FCKKEKJSLBQEQA-YYIAUSFCSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419932196 246376596 /nfs/dbraw/zinc/37/65/96/246376596.db2.gz FCKKEKJSLBQEQA-YYIAUSFCSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419876410 246342878 /nfs/dbraw/zinc/34/28/78/246342878.db2.gz PPSDZGFLDNSAKN-IRXDYDNUSA-N 2 1 367.538 0.118 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419882990 246347578 /nfs/dbraw/zinc/34/75/78/246347578.db2.gz CXEGUTUQTATEIR-FUHWJXTLSA-N 2 1 373.501 0.763 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419886121 246350405 /nfs/dbraw/zinc/35/04/05/246350405.db2.gz KLPGHMQPOJISRO-HZPDHXFCSA-N 2 1 359.474 0.543 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000419892357 246354898 /nfs/dbraw/zinc/35/48/98/246354898.db2.gz JJQKTUBBQQRKJE-OWCLPIDISA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000419892357 246354904 /nfs/dbraw/zinc/35/49/04/246354904.db2.gz JJQKTUBBQQRKJE-OWCLPIDISA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419962954 246389538 /nfs/dbraw/zinc/38/95/38/246389538.db2.gz VOXFMNCCTJNDFU-QGZVFWFLSA-N 2 1 360.502 0.865 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423364396 247013576 /nfs/dbraw/zinc/01/35/76/247013576.db2.gz AOCIBYCPSARUHB-JFIYKMOQSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423364396 247013578 /nfs/dbraw/zinc/01/35/78/247013578.db2.gz AOCIBYCPSARUHB-JFIYKMOQSA-N 2 1 358.486 0.915 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423390755 247017249 /nfs/dbraw/zinc/01/72/49/247017249.db2.gz MTQYMHFYAGUYNG-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423385063 247017578 /nfs/dbraw/zinc/01/75/78/247017578.db2.gz LLFUCVLRVHNOKY-JFIYKMOQSA-N 2 1 374.485 0.294 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423385063 247017584 /nfs/dbraw/zinc/01/75/84/247017584.db2.gz LLFUCVLRVHNOKY-JFIYKMOQSA-N 2 1 374.485 0.294 20 0 FCADMP COC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000423421706 247023049 /nfs/dbraw/zinc/02/30/49/247023049.db2.gz KCIABQHHELPCNP-VQIMIIECSA-N 2 1 361.490 0.334 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1CC ZINC000423278389 246994636 /nfs/dbraw/zinc/99/46/36/246994636.db2.gz PUGDPVJAWHESLL-ULQDDVLXSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1CC ZINC000423278389 246994641 /nfs/dbraw/zinc/99/46/41/246994641.db2.gz PUGDPVJAWHESLL-ULQDDVLXSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423583235 247060996 /nfs/dbraw/zinc/06/09/96/247060996.db2.gz BVNRUXDIISABCI-KRWDZBQOSA-N 2 1 350.507 0.918 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423663077 247102209 /nfs/dbraw/zinc/10/22/09/247102209.db2.gz NSVRUQLJKPDPFH-OALUTQOASA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423663077 247102214 /nfs/dbraw/zinc/10/22/14/247102214.db2.gz NSVRUQLJKPDPFH-OALUTQOASA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423668740 247102680 /nfs/dbraw/zinc/10/26/80/247102680.db2.gz WTLYVASERNZSOI-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423747787 247137702 /nfs/dbraw/zinc/13/77/02/247137702.db2.gz PZLYEEDWIHZODM-JKSUJKDBSA-N 2 1 355.479 0.631 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423788627 247142003 /nfs/dbraw/zinc/14/20/03/247142003.db2.gz YALSVJSUDFFOHM-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423780266 247142685 /nfs/dbraw/zinc/14/26/85/247142685.db2.gz GHXLDYKXZNRUIO-BBRMVZONSA-N 2 1 351.422 0.964 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861483 247145284 /nfs/dbraw/zinc/14/52/84/247145284.db2.gz COADEDWUFXKXFT-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988457 247156257 /nfs/dbraw/zinc/15/62/57/247156257.db2.gz XOLZUASLISWEPG-YYAJDYIMSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423701163 247116241 /nfs/dbraw/zinc/11/62/41/247116241.db2.gz WBCZNSUEOVEGFL-CVEARBPZSA-N 2 1 355.527 0.057 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423701163 247116243 /nfs/dbraw/zinc/11/62/43/247116243.db2.gz WBCZNSUEOVEGFL-CVEARBPZSA-N 2 1 355.527 0.057 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423718113 247124432 /nfs/dbraw/zinc/12/44/32/247124432.db2.gz BXUNYEDGRIWERW-YESZJQIVSA-N 2 1 362.449 0.631 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C[C@@H]1[NH3+] ZINC000423743360 247135929 /nfs/dbraw/zinc/13/59/29/247135929.db2.gz LRBKBUWZPKKDTQ-BVBHFADKSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424295082 247195265 /nfs/dbraw/zinc/19/52/65/247195265.db2.gz QQDOATHSYSPGJK-CYBMUJFWSA-N 2 1 366.487 0.737 20 0 FCADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH2+]CC2 ZINC000424291365 247195403 /nfs/dbraw/zinc/19/54/03/247195403.db2.gz NQZLBJTVFHKINC-OAHLLOKOSA-N 2 1 374.485 0.631 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000424125644 247169481 /nfs/dbraw/zinc/16/94/81/247169481.db2.gz ANPSKJBPMYMWFT-QLFBSQMISA-N 2 1 350.467 0.432 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424163880 247173412 /nfs/dbraw/zinc/17/34/12/247173412.db2.gz YFUJMSFAAGLZEA-UONOGXRCSA-N 2 1 362.478 0.194 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000424219202 247179433 /nfs/dbraw/zinc/17/94/33/247179433.db2.gz ZYWYBCUQTBQKQN-CQSZACIVSA-N 2 1 350.467 0.213 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000424223957 247180630 /nfs/dbraw/zinc/18/06/30/247180630.db2.gz IZSSTQWKISBBKR-KSZLIROESA-N 2 1 363.506 0.810 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424524378 247250814 /nfs/dbraw/zinc/25/08/14/247250814.db2.gz PRDDKNIIFSDNLH-GBESFXJTSA-N 2 1 370.497 0.835 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000424466135 247229604 /nfs/dbraw/zinc/22/96/04/247229604.db2.gz KXKQBBJLACMIKZ-UHFFFAOYSA-N 2 1 361.490 0.488 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000424539524 247256142 /nfs/dbraw/zinc/25/61/42/247256142.db2.gz FRBJJMNJIAZTQF-SFHVURJKSA-N 2 1 354.495 0.062 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000425384811 247329815 /nfs/dbraw/zinc/32/98/15/247329815.db2.gz KHLGYYGEEZDNCE-UHFFFAOYSA-N 2 1 368.522 0.356 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669677 247360695 /nfs/dbraw/zinc/36/06/95/247360695.db2.gz CPBVWOGTJMGUTQ-ARFHVFGLSA-N 2 1 351.495 0.309 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669677 247360697 /nfs/dbraw/zinc/36/06/97/247360697.db2.gz CPBVWOGTJMGUTQ-ARFHVFGLSA-N 2 1 351.495 0.309 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000430607217 247714041 /nfs/dbraw/zinc/71/40/41/247714041.db2.gz BOCHNGUTYSVXDM-QFBILLFUSA-N 2 1 360.502 0.947 20 0 FCADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000438522908 248088453 /nfs/dbraw/zinc/08/84/53/248088453.db2.gz IPAMOODTRRPKLW-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438882612 248098790 /nfs/dbraw/zinc/09/87/90/248098790.db2.gz FMBPYKUZGDITES-RDJZCZTQSA-N 2 1 357.458 0.494 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000440091665 248155373 /nfs/dbraw/zinc/15/53/73/248155373.db2.gz YIVDHWDMODZPOQ-MRXNPFEDSA-N 2 1 355.527 0.911 20 0 FCADMP CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000439472440 248129410 /nfs/dbraw/zinc/12/94/10/248129410.db2.gz ISPHXCSOQTUWIG-LJQANCHMSA-N 2 1 369.506 0.879 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000442778660 248297171 /nfs/dbraw/zinc/29/71/71/248297171.db2.gz KVHNHJUBKWKWIB-OLZOCXBDSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000442778660 248297174 /nfs/dbraw/zinc/29/71/74/248297174.db2.gz KVHNHJUBKWKWIB-OLZOCXBDSA-N 2 1 351.447 0.998 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443377471 248323330 /nfs/dbraw/zinc/32/33/30/248323330.db2.gz GLUGMCUWPMREPC-KRWDZBQOSA-N 2 1 354.539 0.922 20 0 FCADMP COc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443512292 248330450 /nfs/dbraw/zinc/33/04/50/248330450.db2.gz SXQUHWSUIYWALA-AJNGGQMLSA-N 2 1 363.510 0.938 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000443650876 248334610 /nfs/dbraw/zinc/33/46/10/248334610.db2.gz INFBPVWDLKJABQ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179624 248349756 /nfs/dbraw/zinc/34/97/56/248349756.db2.gz ZTXZJCZAQHQQOK-IYOUNJFTSA-N 2 1 354.495 0.223 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000459925084 249792116 /nfs/dbraw/zinc/79/21/16/249792116.db2.gz UBZWUGUIZGXBHO-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270806363 211271875 /nfs/dbraw/zinc/27/18/75/211271875.db2.gz XFBVXQATEHLXRH-CRAIPNDOSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270806363 211271879 /nfs/dbraw/zinc/27/18/79/211271879.db2.gz XFBVXQATEHLXRH-CRAIPNDOSA-N 2 1 373.501 0.898 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471642334 250111580 /nfs/dbraw/zinc/11/15/80/250111580.db2.gz BZMWBJVKTJDJFO-UHFFFAOYSA-N 2 1 371.526 0.150 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471642334 250111582 /nfs/dbraw/zinc/11/15/82/250111582.db2.gz BZMWBJVKTJDJFO-UHFFFAOYSA-N 2 1 371.526 0.150 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000472759456 250179649 /nfs/dbraw/zinc/17/96/49/250179649.db2.gz ZXVPRUUITOVXFQ-RDJZCZTQSA-N 2 1 357.568 0.749 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000480919203 250296202 /nfs/dbraw/zinc/29/62/02/250296202.db2.gz XBHIZJOZCWLTQF-BZUAXINKSA-N 2 1 370.563 0.634 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000481057448 250310741 /nfs/dbraw/zinc/31/07/41/250310741.db2.gz XDOVWGUCKWDGTB-BZUAXINKSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000481132415 250316597 /nfs/dbraw/zinc/31/65/97/250316597.db2.gz FBKCUPFKJVQYGW-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000481132415 250316602 /nfs/dbraw/zinc/31/66/02/250316602.db2.gz FBKCUPFKJVQYGW-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000481132415 250316608 /nfs/dbraw/zinc/31/66/08/250316608.db2.gz FBKCUPFKJVQYGW-UGUYLWEFSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCSC1 ZINC000481784467 250359225 /nfs/dbraw/zinc/35/92/25/250359225.db2.gz SWOUJPYVORTXBE-KRWDZBQOSA-N 2 1 358.552 0.912 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000481804349 250361647 /nfs/dbraw/zinc/36/16/47/250361647.db2.gz DYGWZEYIVWARJT-AESZEHBQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000481804349 250361651 /nfs/dbraw/zinc/36/16/51/250361651.db2.gz DYGWZEYIVWARJT-AESZEHBQSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000481804349 250361656 /nfs/dbraw/zinc/36/16/56/250361656.db2.gz DYGWZEYIVWARJT-AESZEHBQSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CC(N)=O)CC2)c1 ZINC000269750111 211064812 /nfs/dbraw/zinc/06/48/12/211064812.db2.gz ZPMFQWRARQRXPS-KRWDZBQOSA-N 2 1 361.490 0.216 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c2)CC1 ZINC000498202063 250625044 /nfs/dbraw/zinc/62/50/44/250625044.db2.gz RYVOGYFGMMJCMM-AWEZNQCLSA-N 2 1 354.401 0.924 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000075889342 208062610 /nfs/dbraw/zinc/06/26/10/208062610.db2.gz QMSVQAGCTHWWPG-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000077817563 208078615 /nfs/dbraw/zinc/07/86/15/208078615.db2.gz VQFRSTDLUWFDEZ-KRWDZBQOSA-N 2 1 374.485 0.568 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000077817563 208078621 /nfs/dbraw/zinc/07/86/21/208078621.db2.gz VQFRSTDLUWFDEZ-KRWDZBQOSA-N 2 1 374.485 0.568 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000079615502 208089921 /nfs/dbraw/zinc/08/99/21/208089921.db2.gz KXKOGXBQSLSGQI-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000089896000 208122929 /nfs/dbraw/zinc/12/29/29/208122929.db2.gz RJPKYIJSOJVRDG-ROUUACIJSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089896000 208122934 /nfs/dbraw/zinc/12/29/34/208122934.db2.gz RJPKYIJSOJVRDG-ROUUACIJSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089896000 208122938 /nfs/dbraw/zinc/12/29/38/208122938.db2.gz RJPKYIJSOJVRDG-ROUUACIJSA-N 2 1 364.490 0.499 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000931879779 674150032 /nfs/dbraw/zinc/15/00/32/674150032.db2.gz OWDQISISVZNKMG-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000931879779 674150035 /nfs/dbraw/zinc/15/00/35/674150035.db2.gz OWDQISISVZNKMG-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000176405523 209003348 /nfs/dbraw/zinc/00/33/48/209003348.db2.gz PXCJIYHVRJMLQH-CVEARBPZSA-N 2 1 351.495 0.465 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000176405523 209003351 /nfs/dbraw/zinc/00/33/51/209003351.db2.gz PXCJIYHVRJMLQH-CVEARBPZSA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176887660 209011739 /nfs/dbraw/zinc/01/17/39/209011739.db2.gz WVXWXXOXNUTVFK-UHFFFAOYSA-N 2 1 365.478 0.517 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H](C)O1 ZINC000177343051 209022020 /nfs/dbraw/zinc/02/20/20/209022020.db2.gz WGJZYAAQEVGVTN-CALCHBBNSA-N 2 1 368.522 0.992 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413586412 533477669 /nfs/dbraw/zinc/47/76/69/533477669.db2.gz PQIPVEABMXICKT-AWEZNQCLSA-N 2 1 372.535 0.560 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[N@@H+](C)C1 ZINC000413079064 533477914 /nfs/dbraw/zinc/47/79/14/533477914.db2.gz UIFMDSQDGUPNCX-HNNXBMFYSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@@H+](C)C1 ZINC000413068493 533479466 /nfs/dbraw/zinc/47/94/66/533479466.db2.gz XHYXGFRQCVZEOE-KRWDZBQOSA-N 2 1 362.474 0.994 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413463040 533480699 /nfs/dbraw/zinc/48/06/99/533480699.db2.gz XZCQJXXFZQXPJJ-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC[N@@H+](C)C1 ZINC000413456978 533481578 /nfs/dbraw/zinc/48/15/78/533481578.db2.gz KTDCJEXGYVCONY-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410429799 230075654 /nfs/dbraw/zinc/07/56/54/230075654.db2.gz DKGZKYWDQRFJNR-MRXNPFEDSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410473340 230092363 /nfs/dbraw/zinc/09/23/63/230092363.db2.gz JFRQFNXKBQMBKB-RDJZCZTQSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410473340 230092367 /nfs/dbraw/zinc/09/23/67/230092367.db2.gz JFRQFNXKBQMBKB-RDJZCZTQSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410473340 230092371 /nfs/dbraw/zinc/09/23/71/230092371.db2.gz JFRQFNXKBQMBKB-RDJZCZTQSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410472488 230093839 /nfs/dbraw/zinc/09/38/39/230093839.db2.gz HKYXBVZEMGYSGN-HNNXBMFYSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410472488 230093843 /nfs/dbraw/zinc/09/38/43/230093843.db2.gz HKYXBVZEMGYSGN-HNNXBMFYSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410479933 230097857 /nfs/dbraw/zinc/09/78/57/230097857.db2.gz XMJNHNHQRNXDHP-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410870728 230285287 /nfs/dbraw/zinc/28/52/87/230285287.db2.gz PURDMGBAORJILZ-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410935479 230310488 /nfs/dbraw/zinc/31/04/88/230310488.db2.gz FKMLHNGCXKTVSE-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410935479 230310492 /nfs/dbraw/zinc/31/04/92/230310492.db2.gz FKMLHNGCXKTVSE-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000410954963 230323274 /nfs/dbraw/zinc/32/32/74/230323274.db2.gz QHNWFZFLOFLBTI-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410996748 230343296 /nfs/dbraw/zinc/34/32/96/230343296.db2.gz MEYYBGFBSRLEGO-GOSISDBHSA-N 2 1 350.507 0.873 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949890 674230796 /nfs/dbraw/zinc/23/07/96/674230796.db2.gz QARPYNWXVAQTHX-IRXDYDNUSA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949890 674230797 /nfs/dbraw/zinc/23/07/97/674230797.db2.gz QARPYNWXVAQTHX-IRXDYDNUSA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000932949890 674230798 /nfs/dbraw/zinc/23/07/98/674230798.db2.gz QARPYNWXVAQTHX-IRXDYDNUSA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000932949890 674230799 /nfs/dbraw/zinc/23/07/99/674230799.db2.gz QARPYNWXVAQTHX-IRXDYDNUSA-N 2 1 353.488 0.234 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950465 674230837 /nfs/dbraw/zinc/23/08/37/674230837.db2.gz AXBPSYXGVSPLDL-GDBMZVCRSA-N 2 1 368.503 0.016 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950465 674230839 /nfs/dbraw/zinc/23/08/39/674230839.db2.gz AXBPSYXGVSPLDL-GDBMZVCRSA-N 2 1 368.503 0.016 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000328663276 488928133 /nfs/dbraw/zinc/92/81/33/488928133.db2.gz BDZHBSJLXREAPE-UHFFFAOYSA-N 2 1 360.506 0.958 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279674372 488960859 /nfs/dbraw/zinc/96/08/59/488960859.db2.gz GGXQRDMOQXDRCR-QGZVFWFLSA-N 2 1 358.490 0.732 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279674372 488960862 /nfs/dbraw/zinc/96/08/62/488960862.db2.gz GGXQRDMOQXDRCR-QGZVFWFLSA-N 2 1 358.490 0.732 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 ZINC000328977601 488957422 /nfs/dbraw/zinc/95/74/22/488957422.db2.gz QMXWKSBZIKUTMW-FAJBIJEISA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 ZINC000328977601 488957425 /nfs/dbraw/zinc/95/74/25/488957425.db2.gz QMXWKSBZIKUTMW-FAJBIJEISA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000288235087 488959862 /nfs/dbraw/zinc/95/98/62/488959862.db2.gz QBEDRJFMRIUJJX-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000288235087 488959865 /nfs/dbraw/zinc/95/98/65/488959865.db2.gz QBEDRJFMRIUJJX-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000288235087 488959868 /nfs/dbraw/zinc/95/98/68/488959868.db2.gz QBEDRJFMRIUJJX-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)OC ZINC000051957269 488152468 /nfs/dbraw/zinc/15/24/68/488152468.db2.gz NSHYITYLZZPCPE-YJBOKZPZSA-N 2 1 369.506 0.735 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000569808512 491193959 /nfs/dbraw/zinc/19/39/59/491193959.db2.gz UHGYIIDAORWAIN-HRCADAONSA-N 2 1 352.479 0.004 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069390175 488372376 /nfs/dbraw/zinc/37/23/76/488372376.db2.gz KSVTYOMFVVMEIV-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073588469 488385019 /nfs/dbraw/zinc/38/50/19/488385019.db2.gz JAZOGCYBGVLJQU-SFHVURJKSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602910 488385183 /nfs/dbraw/zinc/38/51/83/488385183.db2.gz OAXUZHMLVWZGSP-HKUYNNGSSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602910 488385184 /nfs/dbraw/zinc/38/51/84/488385184.db2.gz OAXUZHMLVWZGSP-HKUYNNGSSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000073651154 488385627 /nfs/dbraw/zinc/38/56/27/488385627.db2.gz WKHOHIHOSQYYTB-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000073651154 488385628 /nfs/dbraw/zinc/38/56/28/488385628.db2.gz WKHOHIHOSQYYTB-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP COC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814374 491194507 /nfs/dbraw/zinc/19/45/07/491194507.db2.gz KGIMMTFEZBCIMK-APWZRJJASA-N 2 1 360.458 0.701 20 0 FCADMP COC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814374 491194509 /nfs/dbraw/zinc/19/45/09/491194509.db2.gz KGIMMTFEZBCIMK-APWZRJJASA-N 2 1 360.458 0.701 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152711 488388247 /nfs/dbraw/zinc/38/82/47/488388247.db2.gz LNMWDXPJOOXREK-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182708926 488389472 /nfs/dbraw/zinc/38/94/72/488389472.db2.gz JIFRUVOTVDTGHR-WMZOPIPTSA-N 2 1 356.511 0.633 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000074495310 488392212 /nfs/dbraw/zinc/39/22/12/488392212.db2.gz HXHFFKROPDHLJG-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000074495315 488392441 /nfs/dbraw/zinc/39/24/41/488392441.db2.gz HXHFFKROPDHLJG-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490745 488392562 /nfs/dbraw/zinc/39/25/62/488392562.db2.gz GLUZUHBOPQPRFW-ZDUSSCGKSA-N 2 1 354.524 0.997 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000077176358 488409123 /nfs/dbraw/zinc/40/91/23/488409123.db2.gz VLGVXBRXCCLSKV-ZIFCJYIRSA-N 2 1 355.523 0.501 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)CC1 ZINC000187949685 488411155 /nfs/dbraw/zinc/41/11/55/488411155.db2.gz JKJJHRWAQWLXTN-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000554342754 491196771 /nfs/dbraw/zinc/19/67/71/491196771.db2.gz DHRXFXLXBOXPDW-NVXWUHKLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H]1COCCN1CCN1CC[N@@H+](CCN2CCOC[C@@H]2C)CC1(C)C ZINC000192761160 488424165 /nfs/dbraw/zinc/42/41/65/488424165.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 1 368.566 0.824 20 0 FCADMP C[C@H]1COCCN1CCN1CC[N@H+](CCN2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761160 488424168 /nfs/dbraw/zinc/42/41/68/488424168.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 1 368.566 0.824 20 0 FCADMP C[C@H]1COCCN1CCN1CC[N@@H+](CCN2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761160 488424171 /nfs/dbraw/zinc/42/41/71/488424171.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 1 368.566 0.824 20 0 FCADMP C[C@@H]1COCCN1CCN1[C@H](C)C[N@H+](CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000192825600 488424779 /nfs/dbraw/zinc/42/47/79/488424779.db2.gz IIDLZBKHXVUURV-ZGXWSNOMSA-N 2 1 368.566 0.822 20 0 FCADMP C[C@@H]1COCCN1CC[N@@H+]1[C@H](C)CN(CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000192825600 488424780 /nfs/dbraw/zinc/42/47/80/488424780.db2.gz IIDLZBKHXVUURV-ZGXWSNOMSA-N 2 1 368.566 0.822 20 0 FCADMP C[C@@H]1COCCN1CC[N@H+]1[C@H](C)CN(CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000192825600 488424783 /nfs/dbraw/zinc/42/47/83/488424783.db2.gz IIDLZBKHXVUURV-ZGXWSNOMSA-N 2 1 368.566 0.822 20 0 FCADMP COC(=O)CC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000268535441 488429003 /nfs/dbraw/zinc/42/90/03/488429003.db2.gz JIRMCYDOJJWDSG-UHFFFAOYSA-N 2 1 363.462 0.430 20 0 FCADMP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000080114450 488433858 /nfs/dbraw/zinc/43/38/58/488433858.db2.gz XXQBRAXZSXPXBO-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000195140076 488435579 /nfs/dbraw/zinc/43/55/79/488435579.db2.gz UTFYJRBVMWDJQN-GOSISDBHSA-N 2 1 369.554 0.668 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000195139921 488435598 /nfs/dbraw/zinc/43/55/98/488435598.db2.gz YLBMUWNLZORBQX-KRWDZBQOSA-N 2 1 356.511 0.753 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000081330959 488440934 /nfs/dbraw/zinc/44/09/34/488440934.db2.gz VZJNQGRRXXLKHL-QGZVFWFLSA-N 2 1 362.474 0.315 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000081330959 488440937 /nfs/dbraw/zinc/44/09/37/488440937.db2.gz VZJNQGRRXXLKHL-QGZVFWFLSA-N 2 1 362.474 0.315 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000245659575 488465457 /nfs/dbraw/zinc/46/54/57/488465457.db2.gz CYVYIJSQFWKZQZ-SOLBZPMBSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000245659575 488465458 /nfs/dbraw/zinc/46/54/58/488465458.db2.gz CYVYIJSQFWKZQZ-SOLBZPMBSA-N 2 1 356.511 0.489 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000246141024 488469880 /nfs/dbraw/zinc/46/98/80/488469880.db2.gz SBNVPGNDIZMODJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000246141024 488469883 /nfs/dbraw/zinc/46/98/83/488469883.db2.gz SBNVPGNDIZMODJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000246141024 488469884 /nfs/dbraw/zinc/46/98/84/488469884.db2.gz SBNVPGNDIZMODJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000246141024 488469887 /nfs/dbraw/zinc/46/98/87/488469887.db2.gz SBNVPGNDIZMODJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000246342022 488471934 /nfs/dbraw/zinc/47/19/34/488471934.db2.gz OVWUNKLGBUVSPI-ROUUACIJSA-N 2 1 369.554 0.526 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246537909 488473775 /nfs/dbraw/zinc/47/37/75/488473775.db2.gz YCIBFCUDVKGBRN-ZHALLVOQSA-N 2 1 370.538 0.737 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H](C)C1 ZINC000246660376 488474950 /nfs/dbraw/zinc/47/49/50/488474950.db2.gz UJTIAPLRVFGSPL-XYJFISCASA-N 2 1 358.527 0.735 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](C)C1 ZINC000246660361 488475027 /nfs/dbraw/zinc/47/50/27/488475027.db2.gz UJTIAPLRVFGSPL-SOLBZPMBSA-N 2 1 358.527 0.735 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247070982 488481067 /nfs/dbraw/zinc/48/10/67/488481067.db2.gz OPFQYXBLPHONIA-MSOLQXFVSA-N 2 1 368.522 0.707 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000269243079 488481611 /nfs/dbraw/zinc/48/16/11/488481611.db2.gz BZTFHRJKMKZMGK-QGZVFWFLSA-N 2 1 360.458 0.320 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269251275 488482528 /nfs/dbraw/zinc/48/25/28/488482528.db2.gz PJYFODOWTVNSSS-MSOLQXFVSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H]1C ZINC000248367863 488495208 /nfs/dbraw/zinc/49/52/08/488495208.db2.gz UNXYBPPTEAJIIE-KBPBESRZSA-N 2 1 357.462 0.742 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103314385 488500906 /nfs/dbraw/zinc/50/09/06/488500906.db2.gz JLUJGWAAMNKENG-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000104068114 488503790 /nfs/dbraw/zinc/50/37/90/488503790.db2.gz YNJHHXGSUXXGAW-INIZCTEOSA-N 2 1 355.442 0.609 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249091518 488505798 /nfs/dbraw/zinc/50/57/98/488505798.db2.gz HCXZXKNZVYUBAM-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C[C@@H](C)O1 ZINC000249108358 488505945 /nfs/dbraw/zinc/50/59/45/488505945.db2.gz MATMBKGSJXIWLS-GVDBMIGSSA-N 2 1 370.538 0.972 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108555028 488519723 /nfs/dbraw/zinc/51/97/23/488519723.db2.gz KTGWLTMGILERHM-QGZVFWFLSA-N 2 1 365.522 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108555028 488519725 /nfs/dbraw/zinc/51/97/25/488519725.db2.gz KTGWLTMGILERHM-QGZVFWFLSA-N 2 1 365.522 0.761 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)C[C@@H](C)O1 ZINC000111810079 488531401 /nfs/dbraw/zinc/53/14/01/488531401.db2.gz WJTMWBIRGZSUNL-HZPDHXFCSA-N 2 1 370.538 0.878 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000261701935 488532058 /nfs/dbraw/zinc/53/20/58/488532058.db2.gz OVZDYIOKBCTKCU-CQSZACIVSA-N 2 1 362.499 0.912 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000261701935 488532060 /nfs/dbraw/zinc/53/20/60/488532060.db2.gz OVZDYIOKBCTKCU-CQSZACIVSA-N 2 1 362.499 0.912 20 0 FCADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1OC ZINC000261788601 488536011 /nfs/dbraw/zinc/53/60/11/488536011.db2.gz YSLSLDBHBIYEAP-CQSZACIVSA-N 2 1 351.447 0.999 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261888014 488540060 /nfs/dbraw/zinc/54/00/60/488540060.db2.gz ZKCNSNYMFPVYMB-QYZOEREBSA-N 2 1 358.486 0.788 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261888014 488540061 /nfs/dbraw/zinc/54/00/61/488540061.db2.gz ZKCNSNYMFPVYMB-QYZOEREBSA-N 2 1 358.486 0.788 20 0 FCADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261919747 488542039 /nfs/dbraw/zinc/54/20/39/488542039.db2.gz KFIYJYXMANCNGE-GUDVDZBRSA-N 2 1 364.534 0.677 20 0 FCADMP O=C(CC[N@H+]1CCCN(C(=O)c2ccsc2)CC1)N1CC[NH2+]CC1 ZINC000262053151 488548386 /nfs/dbraw/zinc/54/83/86/488548386.db2.gz INJPQGVLRRINBS-UHFFFAOYSA-N 2 1 350.488 0.718 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119633753 488558267 /nfs/dbraw/zinc/55/82/67/488558267.db2.gz IFEMCRCBYUUCRB-SJORKVTESA-N 2 1 356.511 0.632 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262235424 488558974 /nfs/dbraw/zinc/55/89/74/488558974.db2.gz KMYRHVFIRYNZLB-LZQZEXGQSA-N 2 1 361.486 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000262274169 488560872 /nfs/dbraw/zinc/56/08/72/488560872.db2.gz YRGTUPPUHFRWSK-CALCHBBNSA-N 3 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000262274169 488560875 /nfs/dbraw/zinc/56/08/75/488560875.db2.gz YRGTUPPUHFRWSK-CALCHBBNSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000262274169 488560876 /nfs/dbraw/zinc/56/08/76/488560876.db2.gz YRGTUPPUHFRWSK-CALCHBBNSA-N 2 1 352.523 0.630 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000562986702 491205945 /nfs/dbraw/zinc/20/59/45/491205945.db2.gz IHVLZAYZMOHAQR-LJQANCHMSA-N 2 1 360.502 0.770 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000562986702 491205947 /nfs/dbraw/zinc/20/59/47/491205947.db2.gz IHVLZAYZMOHAQR-LJQANCHMSA-N 2 1 360.502 0.770 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000120912965 488563884 /nfs/dbraw/zinc/56/38/84/488563884.db2.gz XGODVOBGVNHNGO-INIZCTEOSA-N 2 1 364.494 0.810 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000120912965 488563887 /nfs/dbraw/zinc/56/38/87/488563887.db2.gz XGODVOBGVNHNGO-INIZCTEOSA-N 2 1 364.494 0.810 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262429119 488569562 /nfs/dbraw/zinc/56/95/62/488569562.db2.gz SRTDKFZVZBEOPA-HNAYVOBHSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262564661 488577909 /nfs/dbraw/zinc/57/79/09/488577909.db2.gz ZRSQZDALJHPOMZ-MRXNPFEDSA-N 2 1 374.485 0.663 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262637594 488583765 /nfs/dbraw/zinc/58/37/65/488583765.db2.gz QFZUWASOWOVTJW-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[NH2+]CC3CC3)c2)C1 ZINC000262662535 488585015 /nfs/dbraw/zinc/58/50/15/488585015.db2.gz YYRUQXJKDJRGJN-GOSISDBHSA-N 2 1 358.486 1.000 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123536543 488585837 /nfs/dbraw/zinc/58/58/37/488585837.db2.gz DVENYMKJUNRUNC-NVXWUHKLSA-N 2 1 361.490 0.754 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123536543 488585839 /nfs/dbraw/zinc/58/58/39/488585839.db2.gz DVENYMKJUNRUNC-NVXWUHKLSA-N 2 1 361.490 0.754 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806804 488594521 /nfs/dbraw/zinc/59/45/21/488594521.db2.gz PUMPQXRDAKUKIF-IRXDYDNUSA-N 2 1 362.522 0.811 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000124924317 488596673 /nfs/dbraw/zinc/59/66/73/488596673.db2.gz GSEVVJJFERWREZ-ILXRZTDVSA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000124924317 488596675 /nfs/dbraw/zinc/59/66/75/488596675.db2.gz GSEVVJJFERWREZ-ILXRZTDVSA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000124924317 488596677 /nfs/dbraw/zinc/59/66/77/488596677.db2.gz GSEVVJJFERWREZ-ILXRZTDVSA-N 2 1 351.495 0.498 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccn1 ZINC000272728994 488600937 /nfs/dbraw/zinc/60/09/37/488600937.db2.gz ZHEPPNHCYXKKAC-HNNXBMFYSA-N 2 1 363.462 0.092 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000272823839 488608383 /nfs/dbraw/zinc/60/83/83/488608383.db2.gz KLCGPYYGFZIDIU-FXAWDEMLSA-N 2 1 374.529 0.895 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000272823839 488608385 /nfs/dbraw/zinc/60/83/85/488608385.db2.gz KLCGPYYGFZIDIU-FXAWDEMLSA-N 2 1 374.529 0.895 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCCN(C=O)CC2)CC1 ZINC000272851162 488611095 /nfs/dbraw/zinc/61/10/95/488611095.db2.gz DGINVQUTVHDCHU-UHFFFAOYSA-N 2 1 358.486 0.803 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316730 488616122 /nfs/dbraw/zinc/61/61/22/488616122.db2.gz VCQKKAVBDYZQEO-JKSUJKDBSA-N 2 1 363.506 0.561 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000570062599 491213959 /nfs/dbraw/zinc/21/39/59/491213959.db2.gz QCXUMDJMQIXUGC-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000554616396 491213207 /nfs/dbraw/zinc/21/32/07/491213207.db2.gz GQEJYNSRPJMCCF-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000554616396 491213209 /nfs/dbraw/zinc/21/32/09/491213209.db2.gz GQEJYNSRPJMCCF-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000554616396 491213213 /nfs/dbraw/zinc/21/32/13/491213213.db2.gz GQEJYNSRPJMCCF-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP COc1ccc([C@@H](CNC(=O)Cn2nnnc2C[NH3+])[NH+]2CCCCC2)cc1 ZINC000563081330 491213729 /nfs/dbraw/zinc/21/37/29/491213729.db2.gz PZNFWLGWIVXIJO-MRXNPFEDSA-N 2 1 373.461 0.484 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000136827688 488678840 /nfs/dbraw/zinc/67/88/40/488678840.db2.gz ZLLNHCKKAVDSSH-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000136827688 488678841 /nfs/dbraw/zinc/67/88/41/488678841.db2.gz ZLLNHCKKAVDSSH-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000136827688 488678843 /nfs/dbraw/zinc/67/88/43/488678843.db2.gz ZLLNHCKKAVDSSH-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136814182 488678963 /nfs/dbraw/zinc/67/89/63/488678963.db2.gz CREOUGUWXQBFIM-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000136958643 488679744 /nfs/dbraw/zinc/67/97/44/488679744.db2.gz UGGSQASDEFATKS-DOTOQJQBSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000136958643 488679746 /nfs/dbraw/zinc/67/97/46/488679746.db2.gz UGGSQASDEFATKS-DOTOQJQBSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000136958643 488679748 /nfs/dbraw/zinc/67/97/48/488679748.db2.gz UGGSQASDEFATKS-DOTOQJQBSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000137262280 488680800 /nfs/dbraw/zinc/68/08/00/488680800.db2.gz LPLORLSKRYZGQF-MRXNPFEDSA-N 2 1 362.474 0.816 20 0 FCADMP COc1cccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713905 488702251 /nfs/dbraw/zinc/70/22/51/488702251.db2.gz DZDJYBJGPWQBOZ-WMZOPIPTSA-N 2 1 363.506 0.843 20 0 FCADMP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810620 488735054 /nfs/dbraw/zinc/73/50/54/488735054.db2.gz JVNMIGDDIASRIY-DZGCQCFKSA-N 2 1 354.520 0.235 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922551 488736120 /nfs/dbraw/zinc/73/61/20/488736120.db2.gz ZVAQVAQLMDSYJV-HUUCEWRRSA-N 2 1 354.520 0.189 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922551 488736122 /nfs/dbraw/zinc/73/61/22/488736122.db2.gz ZVAQVAQLMDSYJV-HUUCEWRRSA-N 2 1 354.520 0.189 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154063188 488738000 /nfs/dbraw/zinc/73/80/00/488738000.db2.gz SHZHRLIYLZQQEM-AWEZNQCLSA-N 2 1 350.467 0.183 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000267428741 488785959 /nfs/dbraw/zinc/78/59/59/488785959.db2.gz YIHAJGAPLYCNAB-UHFFFAOYSA-N 2 1 370.519 0.428 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000563132088 491218713 /nfs/dbraw/zinc/21/87/13/491218713.db2.gz PTGBIEPLTKZLLK-LSDHHAIUSA-N 2 1 362.474 0.742 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000563132087 491218928 /nfs/dbraw/zinc/21/89/28/491218928.db2.gz PTGBIEPLTKZLLK-HUUCEWRRSA-N 2 1 362.474 0.742 20 0 FCADMP CN(C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1)S(C)(=O)=O ZINC000563155240 491222656 /nfs/dbraw/zinc/22/26/56/491222656.db2.gz XPYXWRCSALHENB-IRXDYDNUSA-N 2 1 355.504 0.273 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH2+]CC3CC3)CC2)CC1 ZINC000167817676 488812495 /nfs/dbraw/zinc/81/24/95/488812495.db2.gz WLWRWNXWXDMUEH-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000168056485 488812568 /nfs/dbraw/zinc/81/25/68/488812568.db2.gz SFWPTQDJTZWOOM-CQSZACIVSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000168056485 488812569 /nfs/dbraw/zinc/81/25/69/488812569.db2.gz SFWPTQDJTZWOOM-CQSZACIVSA-N 2 1 350.467 0.385 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000168554669 488812956 /nfs/dbraw/zinc/81/29/56/488812956.db2.gz ZDLYUNBWUQXDNM-UHFFFAOYSA-N 2 1 361.490 0.695 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570189001 491223127 /nfs/dbraw/zinc/22/31/27/491223127.db2.gz VZWCQQOZUXRUSJ-GDBMZVCRSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570189001 491223129 /nfs/dbraw/zinc/22/31/29/491223129.db2.gz VZWCQQOZUXRUSJ-GDBMZVCRSA-N 2 1 362.474 0.246 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000172174398 488830790 /nfs/dbraw/zinc/83/07/90/488830790.db2.gz NTBRXGGYHNSFIF-HNNXBMFYSA-N 2 1 355.527 0.816 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000172541109 488835234 /nfs/dbraw/zinc/83/52/34/488835234.db2.gz YOAXMLZBFYYHSB-KRWDZBQOSA-N 2 1 365.522 0.810 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000172721144 488837084 /nfs/dbraw/zinc/83/70/84/488837084.db2.gz BQGJHGLTEKPYPM-INIZCTEOSA-N 2 1 362.430 0.815 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000172721144 488837086 /nfs/dbraw/zinc/83/70/86/488837086.db2.gz BQGJHGLTEKPYPM-INIZCTEOSA-N 2 1 362.430 0.815 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000173960491 488846367 /nfs/dbraw/zinc/84/63/67/488846367.db2.gz WEHOBMZWXYAURI-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000173960478 488846408 /nfs/dbraw/zinc/84/64/08/488846408.db2.gz WEHOBMZWXYAURI-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175611339 488854579 /nfs/dbraw/zinc/85/45/79/488854579.db2.gz OPFQYXBLPHONIA-ZWKOTPCHSA-N 2 1 368.522 0.707 20 0 FCADMP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@@H+]3CC=CCC3)ccn2)CC1 ZINC000280130439 488986115 /nfs/dbraw/zinc/98/61/15/488986115.db2.gz DHUHJOPYASTTRD-UHFFFAOYSA-N 2 1 358.490 0.895 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000288639570 489000467 /nfs/dbraw/zinc/00/04/67/489000467.db2.gz UBESDIDUBHNQQD-UHFFFAOYSA-N 2 1 372.513 0.756 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211190 491227877 /nfs/dbraw/zinc/22/78/77/491227877.db2.gz OLKMZUVRMBBSGI-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280703734 489026048 /nfs/dbraw/zinc/02/60/48/489026048.db2.gz IPRNXVLXOZFIRN-FQEVSTJZSA-N 2 1 358.486 0.837 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280703734 489026053 /nfs/dbraw/zinc/02/60/53/489026053.db2.gz IPRNXVLXOZFIRN-FQEVSTJZSA-N 2 1 358.486 0.837 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000289336610 489059868 /nfs/dbraw/zinc/05/98/68/489059868.db2.gz WHBZAKSFIXPJBT-FQEVSTJZSA-N 2 1 371.529 0.554 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322475 489063392 /nfs/dbraw/zinc/06/33/92/489063392.db2.gz AWMIRSFELNIQOA-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000365322475 489063394 /nfs/dbraw/zinc/06/33/94/489063394.db2.gz AWMIRSFELNIQOA-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000365322475 489063397 /nfs/dbraw/zinc/06/33/97/489063397.db2.gz AWMIRSFELNIQOA-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365324766 489064204 /nfs/dbraw/zinc/06/42/04/489064204.db2.gz GJMITPFUKCCGOZ-GOSISDBHSA-N 2 1 351.539 0.252 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365324766 489064207 /nfs/dbraw/zinc/06/42/07/489064207.db2.gz GJMITPFUKCCGOZ-GOSISDBHSA-N 2 1 351.539 0.252 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365324766 489064209 /nfs/dbraw/zinc/06/42/09/489064209.db2.gz GJMITPFUKCCGOZ-GOSISDBHSA-N 2 1 351.539 0.252 20 0 FCADMP C[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000365328367 489064251 /nfs/dbraw/zinc/06/42/51/489064251.db2.gz UHLXPBVJCURQOJ-SFHVURJKSA-N 2 1 367.538 0.424 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000570294902 491231409 /nfs/dbraw/zinc/23/14/09/491231409.db2.gz XHUKAWUNKXHERU-VNHYZAJKSA-N 2 1 350.488 0.725 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000289586949 489079321 /nfs/dbraw/zinc/07/93/21/489079321.db2.gz VMGINRHWZMIUEX-OALUTQOASA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1CCO ZINC000330304655 489089420 /nfs/dbraw/zinc/08/94/20/489089420.db2.gz KLYZNXUZECAXMB-SFHVURJKSA-N 2 1 360.502 0.724 20 0 FCADMP O=C1NCCN1CC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290277624 489127419 /nfs/dbraw/zinc/12/74/19/489127419.db2.gz LZLZGSUFQCTKJD-SFHVURJKSA-N 2 1 372.517 0.941 20 0 FCADMP O=C1NCCN1CCN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290277624 489127422 /nfs/dbraw/zinc/12/74/22/489127422.db2.gz LZLZGSUFQCTKJD-SFHVURJKSA-N 2 1 372.517 0.941 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365939834 489128117 /nfs/dbraw/zinc/12/81/17/489128117.db2.gz DGTGKWYBRDSESL-UHFFFAOYSA-N 2 1 364.494 0.936 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000282622732 489179412 /nfs/dbraw/zinc/17/94/12/489179412.db2.gz AHVNRTCALQTRLM-UHFFFAOYSA-N 2 1 359.474 0.072 20 0 FCADMP CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000282966845 489202459 /nfs/dbraw/zinc/20/24/59/489202459.db2.gz GCSPYFWPKMTFHG-KRWDZBQOSA-N 2 1 366.510 0.189 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331382302 489204142 /nfs/dbraw/zinc/20/41/42/489204142.db2.gz JKEXCFRXAYUBJH-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331386333 489204997 /nfs/dbraw/zinc/20/49/97/489204997.db2.gz IAFQLQAPBZAQHA-PMPSAXMXSA-N 2 1 350.507 0.681 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690128 489224891 /nfs/dbraw/zinc/22/48/91/489224891.db2.gz FERKQZXRVYQHEN-PBHICJAKSA-N 2 1 357.458 0.701 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332843787 489238323 /nfs/dbraw/zinc/23/83/23/489238323.db2.gz NCQCPYKDCNYEAJ-RYQLBKOJSA-N 2 1 368.522 0.462 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000369469125 489241741 /nfs/dbraw/zinc/24/17/41/489241741.db2.gz QTOFOIAKIJAJSY-QZTJIDSGSA-N 2 1 374.485 0.709 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283328574 489245672 /nfs/dbraw/zinc/24/56/72/489245672.db2.gz GCNXGNXAWJXAAL-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332977543 489253125 /nfs/dbraw/zinc/25/31/25/489253125.db2.gz IPPHPEMNKCKQLG-HOTGVXAUSA-N 2 1 356.536 0.712 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@H]21 ZINC000297862559 489253331 /nfs/dbraw/zinc/25/33/31/489253331.db2.gz NDVZOJRHJRJTOA-IAGOWNOFSA-N 2 1 371.485 0.673 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000297921695 489262545 /nfs/dbraw/zinc/26/25/45/489262545.db2.gz XVZBTAHRLSVQRU-DLBZAZTESA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000297921695 489262549 /nfs/dbraw/zinc/26/25/49/489262549.db2.gz XVZBTAHRLSVQRU-DLBZAZTESA-N 2 1 361.490 0.983 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369864960 489284236 /nfs/dbraw/zinc/28/42/36/489284236.db2.gz ZWWPDGSBPNQXMZ-IKGGRYGDSA-N 2 1 354.495 0.602 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000283662109 489287907 /nfs/dbraw/zinc/28/79/07/489287907.db2.gz ZPQJTSLDKVTWQI-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283662109 489287909 /nfs/dbraw/zinc/28/79/09/489287909.db2.gz ZPQJTSLDKVTWQI-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283662109 489287911 /nfs/dbraw/zinc/28/79/11/489287911.db2.gz ZPQJTSLDKVTWQI-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP COC(=O)CNC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370190800 489325906 /nfs/dbraw/zinc/32/59/06/489325906.db2.gz IVBQJHGDSWNKPG-GASCZTMLSA-N 2 1 355.479 0.487 20 0 FCADMP COC(=O)CNC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370190800 489325909 /nfs/dbraw/zinc/32/59/09/489325909.db2.gz IVBQJHGDSWNKPG-GASCZTMLSA-N 2 1 355.479 0.487 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1(C)C ZINC000370250160 489334818 /nfs/dbraw/zinc/33/48/18/489334818.db2.gz GUDYMENPMUXPTB-KRWDZBQOSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000370250160 489334819 /nfs/dbraw/zinc/33/48/19/489334819.db2.gz GUDYMENPMUXPTB-KRWDZBQOSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000370250160 489334823 /nfs/dbraw/zinc/33/48/23/489334823.db2.gz GUDYMENPMUXPTB-KRWDZBQOSA-N 2 1 352.523 0.772 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000361729722 489363968 /nfs/dbraw/zinc/36/39/68/489363968.db2.gz UIYZXEUBMUHCCU-WBVHZDCISA-N 2 1 359.474 0.360 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000361729722 489363971 /nfs/dbraw/zinc/36/39/71/489363971.db2.gz UIYZXEUBMUHCCU-WBVHZDCISA-N 2 1 359.474 0.360 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1cccc(Cl)c1 ZINC000570583217 491251064 /nfs/dbraw/zinc/25/10/64/491251064.db2.gz ZBRIPXVGFORTAG-ILXRZTDVSA-N 2 1 350.850 0.713 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370727240 489393258 /nfs/dbraw/zinc/39/32/58/489393258.db2.gz UYGAOOYKLZPFQE-GVDBMIGSSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370727240 489393262 /nfs/dbraw/zinc/39/32/62/489393262.db2.gz UYGAOOYKLZPFQE-GVDBMIGSSA-N 2 1 363.506 0.561 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000370735794 489394734 /nfs/dbraw/zinc/39/47/34/489394734.db2.gz ZQSDLFIIGYBBPL-OIISXLGYSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000370735794 489394736 /nfs/dbraw/zinc/39/47/36/489394736.db2.gz ZQSDLFIIGYBBPL-OIISXLGYSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000370735794 489394737 /nfs/dbraw/zinc/39/47/37/489394737.db2.gz ZQSDLFIIGYBBPL-OIISXLGYSA-N 2 1 363.506 0.417 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563532137 491252866 /nfs/dbraw/zinc/25/28/66/491252866.db2.gz IGSCQZKROVDQFS-OWCLPIDISA-N 2 1 354.495 0.108 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1C ZINC000286670336 489415755 /nfs/dbraw/zinc/41/57/55/489415755.db2.gz AXTRSFFLPIQLRC-AWEZNQCLSA-N 2 1 364.494 0.435 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)n1C ZINC000286670336 489415757 /nfs/dbraw/zinc/41/57/57/489415757.db2.gz AXTRSFFLPIQLRC-AWEZNQCLSA-N 2 1 364.494 0.435 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)CC1 ZINC000363085544 489421611 /nfs/dbraw/zinc/42/16/11/489421611.db2.gz XSKLUHLJNOEEOP-ZCNNSNEGSA-N 2 1 372.513 0.955 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)CC1 ZINC000363085544 489421616 /nfs/dbraw/zinc/42/16/16/489421616.db2.gz XSKLUHLJNOEEOP-ZCNNSNEGSA-N 2 1 372.513 0.955 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)CC1 ZINC000363085541 489422054 /nfs/dbraw/zinc/42/20/54/489422054.db2.gz XSKLUHLJNOEEOP-AABGKKOBSA-N 2 1 372.513 0.955 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)CC1 ZINC000363085541 489422056 /nfs/dbraw/zinc/42/20/56/489422056.db2.gz XSKLUHLJNOEEOP-AABGKKOBSA-N 2 1 372.513 0.955 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nccn1C ZINC000286753850 489424807 /nfs/dbraw/zinc/42/48/07/489424807.db2.gz RUDLTPVATVDIHE-HOCLYGCPSA-N 2 1 355.442 0.673 20 0 FCADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nccn1C ZINC000286753850 489424809 /nfs/dbraw/zinc/42/48/09/489424809.db2.gz RUDLTPVATVDIHE-HOCLYGCPSA-N 2 1 355.442 0.673 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371025710 489439410 /nfs/dbraw/zinc/43/94/10/489439410.db2.gz BDPOXIFZMKRSBF-QZTJIDSGSA-N 2 1 365.522 0.273 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n1C ZINC000287033485 489454250 /nfs/dbraw/zinc/45/42/50/489454250.db2.gz RWIMEAJSYCJVGU-UHFFFAOYSA-N 2 1 364.494 0.341 20 0 FCADMP CN1CCN(C(=O)CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363358810 489457159 /nfs/dbraw/zinc/45/71/59/489457159.db2.gz KUEAFXULPQLDHP-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363358810 489457160 /nfs/dbraw/zinc/45/71/60/489457160.db2.gz KUEAFXULPQLDHP-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363358810 489457162 /nfs/dbraw/zinc/45/71/62/489457162.db2.gz KUEAFXULPQLDHP-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000287172670 489467396 /nfs/dbraw/zinc/46/73/96/489467396.db2.gz ZMGMXHRKDAMYEZ-CQSZACIVSA-N 2 1 364.494 0.293 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000287172670 489467397 /nfs/dbraw/zinc/46/73/97/489467397.db2.gz ZMGMXHRKDAMYEZ-CQSZACIVSA-N 2 1 364.494 0.293 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)C1 ZINC000371271464 489472485 /nfs/dbraw/zinc/47/24/85/489472485.db2.gz RATUODGLXANQPZ-VQIMIIECSA-N 2 1 362.449 0.702 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cn2)CC1 ZINC000371324997 489476887 /nfs/dbraw/zinc/47/68/87/489476887.db2.gz BIUFSBCBNZXARD-ZWKOTPCHSA-N 2 1 360.506 0.259 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371630549 489491353 /nfs/dbraw/zinc/49/13/53/489491353.db2.gz VDETVQMZIYFCOW-OALUTQOASA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371630549 489491354 /nfs/dbraw/zinc/49/13/54/489491354.db2.gz VDETVQMZIYFCOW-OALUTQOASA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371630549 489491355 /nfs/dbraw/zinc/49/13/55/489491355.db2.gz VDETVQMZIYFCOW-OALUTQOASA-N 2 1 358.486 0.259 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423080328 489491850 /nfs/dbraw/zinc/49/18/50/489491850.db2.gz AABUKCBDUBWXMW-QGZVFWFLSA-N 2 1 368.522 0.533 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371654536 489493823 /nfs/dbraw/zinc/49/38/23/489493823.db2.gz SNCQYSGKYGJLMP-GOSISDBHSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423110445 489494265 /nfs/dbraw/zinc/49/42/65/489494265.db2.gz IBVIMFGZCWSBQN-LSDHHAIUSA-N 2 1 364.515 0.631 20 0 FCADMP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423148118 489497017 /nfs/dbraw/zinc/49/70/17/489497017.db2.gz UJMAEKGRSRCNGA-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423158507 489497977 /nfs/dbraw/zinc/49/79/77/489497977.db2.gz CXPUYIYVLFVMFS-QZTJIDSGSA-N 2 1 373.501 0.844 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162991 489498273 /nfs/dbraw/zinc/49/82/73/489498273.db2.gz LZXRPDOBPXPPDD-IRXDYDNUSA-N 2 1 359.474 0.454 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423166998 489498897 /nfs/dbraw/zinc/49/88/97/489498897.db2.gz RRZFEEKMPCYIDR-GOSISDBHSA-N 2 1 373.501 0.844 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423232021 489505746 /nfs/dbraw/zinc/50/57/46/489505746.db2.gz BSWAMAQSDODFKG-JLJPHGGASA-N 2 1 362.449 0.631 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423233600 489505954 /nfs/dbraw/zinc/50/59/54/489505954.db2.gz DUSUSUHAGNLFGX-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000423238972 489506469 /nfs/dbraw/zinc/50/64/69/489506469.db2.gz VRRXTMHUBWOWTI-UHFFFAOYSA-N 2 1 358.486 0.585 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000423258443 489507957 /nfs/dbraw/zinc/50/79/57/489507957.db2.gz BLUKNMIEWLRNJP-QGZVFWFLSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000423258443 489507960 /nfs/dbraw/zinc/50/79/60/489507960.db2.gz BLUKNMIEWLRNJP-QGZVFWFLSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000563633966 491260209 /nfs/dbraw/zinc/26/02/09/491260209.db2.gz BLNQVPNDXDVBCV-NWDGAFQWSA-N 2 1 365.400 0.214 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371942634 489527055 /nfs/dbraw/zinc/52/70/55/489527055.db2.gz MCDOJCHPRCPOPW-KRWDZBQOSA-N 2 1 355.527 0.375 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000415545240 489528564 /nfs/dbraw/zinc/52/85/64/489528564.db2.gz JKTSYHLLAIAPOA-GJZGRUSLSA-N 2 1 362.474 0.912 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000425868855 489536299 /nfs/dbraw/zinc/53/62/99/489536299.db2.gz JAARWWWFPMUXAP-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000425874237 489536930 /nfs/dbraw/zinc/53/69/30/489536930.db2.gz QZICILXEQZZGFD-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000425873516 489537021 /nfs/dbraw/zinc/53/70/21/489537021.db2.gz QEQWOKYHBVHUQT-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000425873516 489537022 /nfs/dbraw/zinc/53/70/22/489537022.db2.gz QEQWOKYHBVHUQT-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000425873516 489537024 /nfs/dbraw/zinc/53/70/24/489537024.db2.gz QEQWOKYHBVHUQT-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000425874548 489537792 /nfs/dbraw/zinc/53/77/92/489537792.db2.gz ROEKVZFFUQYYFK-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000425874548 489537794 /nfs/dbraw/zinc/53/77/94/489537794.db2.gz ROEKVZFFUQYYFK-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH2+]CC1 ZINC000563693412 491263241 /nfs/dbraw/zinc/26/32/41/491263241.db2.gz ZXINUCJQQPXTML-INIZCTEOSA-N 2 1 351.495 0.515 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426108339 489555107 /nfs/dbraw/zinc/55/51/07/489555107.db2.gz HNOYVGKXFYEQNR-GFCCVEGCSA-N 2 1 364.412 0.587 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000454428720 489569850 /nfs/dbraw/zinc/56/98/50/489569850.db2.gz QPIJXAWUDAIKCA-MJGOQNOKSA-N 3 1 372.517 0.939 20 0 FCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000454428720 489569853 /nfs/dbraw/zinc/56/98/53/489569853.db2.gz QPIJXAWUDAIKCA-MJGOQNOKSA-N 2 1 372.517 0.939 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000454428720 489569855 /nfs/dbraw/zinc/56/98/55/489569855.db2.gz QPIJXAWUDAIKCA-MJGOQNOKSA-N 2 1 372.517 0.939 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CCOC)nn1 ZINC000416148357 489572134 /nfs/dbraw/zinc/57/21/34/489572134.db2.gz TUPJFSMALXCSCO-HNNXBMFYSA-N 2 1 352.483 0.413 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[N@@H+]1C ZINC000454642083 489574173 /nfs/dbraw/zinc/57/41/73/489574173.db2.gz FWGASDDJGHTHEY-OWCLPIDISA-N 2 1 353.511 0.663 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000454642083 489574175 /nfs/dbraw/zinc/57/41/75/489574175.db2.gz FWGASDDJGHTHEY-OWCLPIDISA-N 2 1 353.511 0.663 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000454642083 489574180 /nfs/dbraw/zinc/57/41/80/489574180.db2.gz FWGASDDJGHTHEY-OWCLPIDISA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702730 491264232 /nfs/dbraw/zinc/26/42/32/491264232.db2.gz LMJMYCGTFDLKGA-CVEARBPZSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000563702730 491264233 /nfs/dbraw/zinc/26/42/33/491264233.db2.gz LMJMYCGTFDLKGA-CVEARBPZSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000563702730 491264234 /nfs/dbraw/zinc/26/42/34/491264234.db2.gz LMJMYCGTFDLKGA-CVEARBPZSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399056 489581151 /nfs/dbraw/zinc/58/11/51/489581151.db2.gz ARESXVPGHZAVGT-SJLPKXTDSA-N 2 1 352.523 0.535 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1 ZINC000426894852 489585986 /nfs/dbraw/zinc/58/59/86/489585986.db2.gz DWMBDTFCFSRJIA-RDJZCZTQSA-N 2 1 351.447 0.647 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1 ZINC000426894852 489585990 /nfs/dbraw/zinc/58/59/90/489585990.db2.gz DWMBDTFCFSRJIA-RDJZCZTQSA-N 2 1 351.447 0.647 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000372458766 489586293 /nfs/dbraw/zinc/58/62/93/489586293.db2.gz UOLZATXLJFOASV-IBGZPJMESA-N 2 1 366.550 0.973 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000372458766 489586296 /nfs/dbraw/zinc/58/62/96/489586296.db2.gz UOLZATXLJFOASV-IBGZPJMESA-N 2 1 366.550 0.973 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372458766 489586297 /nfs/dbraw/zinc/58/62/97/489586297.db2.gz UOLZATXLJFOASV-IBGZPJMESA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128035 489595808 /nfs/dbraw/zinc/59/58/08/489595808.db2.gz JFEYXALUJKYFTF-HZPDHXFCSA-N 2 1 374.489 0.831 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000427298218 489601615 /nfs/dbraw/zinc/60/16/15/489601615.db2.gz AJHZICJXQCPMAK-ZFWWWQNUSA-N 2 1 362.478 0.687 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416953730 489636247 /nfs/dbraw/zinc/63/62/47/489636247.db2.gz PJQZDLMNQKWUKH-JKSUJKDBSA-N 2 1 361.494 0.381 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000683084424 493333009 /nfs/dbraw/zinc/33/30/09/493333009.db2.gz DVIOXYHTYRQTCO-ROUUACIJSA-N 2 1 367.538 0.375 20 0 FCADMP COCC1(CNC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000416966381 489637384 /nfs/dbraw/zinc/63/73/84/489637384.db2.gz YEYBECUCXMNSSR-KRWDZBQOSA-N 2 1 369.554 0.574 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000416999135 489638219 /nfs/dbraw/zinc/63/82/19/489638219.db2.gz QFSAMFSYQLFHHL-KRWDZBQOSA-N 2 1 361.490 0.930 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417055320 489639804 /nfs/dbraw/zinc/63/98/04/489639804.db2.gz WTKXWPCKJAUBBU-HNNXBMFYSA-N 2 1 353.511 0.808 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000683084424 493333004 /nfs/dbraw/zinc/33/30/04/493333004.db2.gz DVIOXYHTYRQTCO-ROUUACIJSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000683084424 493333006 /nfs/dbraw/zinc/33/30/06/493333006.db2.gz DVIOXYHTYRQTCO-ROUUACIJSA-N 2 1 367.538 0.375 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000555729987 491268233 /nfs/dbraw/zinc/26/82/33/491268233.db2.gz BGBLJAYEWOKOJG-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000555729987 491268236 /nfs/dbraw/zinc/26/82/36/491268236.db2.gz BGBLJAYEWOKOJG-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000555729987 491268238 /nfs/dbraw/zinc/26/82/38/491268238.db2.gz BGBLJAYEWOKOJG-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC1=CC[NH2+]CC1 ZINC000417399818 489651086 /nfs/dbraw/zinc/65/10/86/489651086.db2.gz ZZOGIZPKBYWIDS-UHFFFAOYSA-N 2 1 358.490 0.813 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417431058 489652338 /nfs/dbraw/zinc/65/23/38/489652338.db2.gz QKHCNZLOJLURAO-HZPDHXFCSA-N 2 1 355.527 0.944 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417429600 489652491 /nfs/dbraw/zinc/65/24/91/489652491.db2.gz NJIZZOTVJLXCSJ-INIZCTEOSA-N 2 1 351.495 0.538 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000417429856 489652613 /nfs/dbraw/zinc/65/26/13/489652613.db2.gz OCFXUZWOTJTOEJ-WBVHZDCISA-N 2 1 351.495 0.417 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CC[NH2+]CC2)c1 ZINC000417459600 489654663 /nfs/dbraw/zinc/65/46/63/489654663.db2.gz NSASLRJWKZLOTJ-UHFFFAOYSA-N 2 1 350.463 0.758 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417548607 489658019 /nfs/dbraw/zinc/65/80/19/489658019.db2.gz RCPODZONOXUCDZ-IAGOWNOFSA-N 2 1 361.490 0.920 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000428690195 489660812 /nfs/dbraw/zinc/66/08/12/489660812.db2.gz JQYWNYRRQDOGCC-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000428690195 489660815 /nfs/dbraw/zinc/66/08/15/489660815.db2.gz JQYWNYRRQDOGCC-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000428690195 489660819 /nfs/dbraw/zinc/66/08/19/489660819.db2.gz JQYWNYRRQDOGCC-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417729190 489663049 /nfs/dbraw/zinc/66/30/49/489663049.db2.gz LBHWQKAKMGHAAY-GOSISDBHSA-N 2 1 374.533 0.402 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417750483 489663894 /nfs/dbraw/zinc/66/38/94/489663894.db2.gz XGZKPHUJQFMTLW-KGLIPLIRSA-N 2 1 370.448 0.874 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417751228 489664323 /nfs/dbraw/zinc/66/43/23/489664323.db2.gz YUXBSNRWMRHWGV-INIZCTEOSA-N 2 1 364.494 0.127 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417804754 489666022 /nfs/dbraw/zinc/66/60/22/489666022.db2.gz ZLDWMPKITJJHBK-DLBZAZTESA-N 2 1 365.522 0.747 20 0 FCADMP CC[C@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900776 489670026 /nfs/dbraw/zinc/67/00/26/489670026.db2.gz VGIUMZARRKUJJL-ROUUACIJSA-N 2 1 364.490 0.629 20 0 FCADMP CC[C@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900776 489670029 /nfs/dbraw/zinc/67/00/29/489670029.db2.gz VGIUMZARRKUJJL-ROUUACIJSA-N 2 1 364.490 0.629 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000373120903 489670331 /nfs/dbraw/zinc/67/03/31/489670331.db2.gz HYPLRQFDMBSERY-BZSNNMDCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000373120903 489670335 /nfs/dbraw/zinc/67/03/35/489670335.db2.gz HYPLRQFDMBSERY-BZSNNMDCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000373120903 489670338 /nfs/dbraw/zinc/67/03/38/489670338.db2.gz HYPLRQFDMBSERY-BZSNNMDCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000373120909 489670776 /nfs/dbraw/zinc/67/07/76/489670776.db2.gz HYPLRQFDMBSERY-SQNIBIBYSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000373120909 489670779 /nfs/dbraw/zinc/67/07/79/489670779.db2.gz HYPLRQFDMBSERY-SQNIBIBYSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000373120909 489670781 /nfs/dbraw/zinc/67/07/81/489670781.db2.gz HYPLRQFDMBSERY-SQNIBIBYSA-N 2 1 351.539 0.994 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000373127882 489671309 /nfs/dbraw/zinc/67/13/09/489671309.db2.gz XUJNNNAIAWWKJY-ZBFHGGJFSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000373127882 489671310 /nfs/dbraw/zinc/67/13/10/489671310.db2.gz XUJNNNAIAWWKJY-ZBFHGGJFSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000373127873 489671361 /nfs/dbraw/zinc/67/13/61/489671361.db2.gz XUJNNNAIAWWKJY-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000373127873 489671364 /nfs/dbraw/zinc/67/13/64/489671364.db2.gz XUJNNNAIAWWKJY-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458236021 489674561 /nfs/dbraw/zinc/67/45/61/489674561.db2.gz KBRXAYDDDMYZBR-QGZVFWFLSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002139 489674776 /nfs/dbraw/zinc/67/47/76/489674776.db2.gz LRGPJIPSPDYWSB-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458326751 489677050 /nfs/dbraw/zinc/67/70/50/489677050.db2.gz BGPBFZKPGHFPBW-QGZVFWFLSA-N 2 1 368.522 0.777 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)CCC(F)(F)F ZINC000418077904 489678132 /nfs/dbraw/zinc/67/81/32/489678132.db2.gz MVKIOPPOYOGFNY-AWEZNQCLSA-N 2 1 365.444 0.950 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448337 489684155 /nfs/dbraw/zinc/68/41/55/489684155.db2.gz XTYFKDQGVSEHDB-VQIMIIECSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448337 489684157 /nfs/dbraw/zinc/68/41/57/489684157.db2.gz XTYFKDQGVSEHDB-VQIMIIECSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448337 489684160 /nfs/dbraw/zinc/68/41/60/489684160.db2.gz XTYFKDQGVSEHDB-VQIMIIECSA-N 2 1 365.522 0.701 20 0 FCADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418207872 489684939 /nfs/dbraw/zinc/68/49/39/489684939.db2.gz VFNZAENKZKGFAP-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418207872 489684940 /nfs/dbraw/zinc/68/49/40/489684940.db2.gz VFNZAENKZKGFAP-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458494012 489685669 /nfs/dbraw/zinc/68/56/69/489685669.db2.gz OCKKJNFDHKCHLO-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458494012 489685672 /nfs/dbraw/zinc/68/56/72/489685672.db2.gz OCKKJNFDHKCHLO-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000418273419 489686792 /nfs/dbraw/zinc/68/67/92/489686792.db2.gz XCGARBPPZLOGRJ-MRXNPFEDSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000418289100 489688893 /nfs/dbraw/zinc/68/88/93/489688893.db2.gz OAGOVCZFQCAGPI-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000418289100 489688896 /nfs/dbraw/zinc/68/88/96/489688896.db2.gz OAGOVCZFQCAGPI-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418300862 489690168 /nfs/dbraw/zinc/69/01/68/489690168.db2.gz NRWGCNDWCKHGEA-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418300862 489690173 /nfs/dbraw/zinc/69/01/73/489690173.db2.gz NRWGCNDWCKHGEA-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000458593010 489691071 /nfs/dbraw/zinc/69/10/71/489691071.db2.gz MAJUQHZHCTZHAT-IYBDPMFKSA-N 2 1 355.527 0.109 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)CC1 ZINC000418412635 489697047 /nfs/dbraw/zinc/69/70/47/489697047.db2.gz RGJOIEZLAIIZFD-QGZVFWFLSA-N 2 1 367.538 0.946 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155227 489697831 /nfs/dbraw/zinc/69/78/31/489697831.db2.gz ZJSUZQPHOPUOEF-MAUKXSAKSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155227 489697836 /nfs/dbraw/zinc/69/78/36/489697836.db2.gz ZJSUZQPHOPUOEF-MAUKXSAKSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000489155227 489697841 /nfs/dbraw/zinc/69/78/41/489697841.db2.gz ZJSUZQPHOPUOEF-MAUKXSAKSA-N 2 1 351.495 0.311 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418541800 489705890 /nfs/dbraw/zinc/70/58/90/489705890.db2.gz QZESEQSXUXXCBL-CABCVRRESA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418541800 489705894 /nfs/dbraw/zinc/70/58/94/489705894.db2.gz QZESEQSXUXXCBL-CABCVRRESA-N 2 1 356.417 0.763 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418572563 489708062 /nfs/dbraw/zinc/70/80/62/489708062.db2.gz FDLJPVYSMFUPGG-HOTGVXAUSA-N 2 1 353.511 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418572563 489708066 /nfs/dbraw/zinc/70/80/66/489708066.db2.gz FDLJPVYSMFUPGG-HOTGVXAUSA-N 2 1 353.511 0.842 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611500 489710066 /nfs/dbraw/zinc/71/00/66/489710066.db2.gz HQJCIHWLNMBQKE-KBPBESRZSA-N 2 1 365.444 0.948 20 0 FCADMP COCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCO[C@@H]1C ZINC000489406557 489710158 /nfs/dbraw/zinc/71/01/58/489710158.db2.gz QBRCVTMNNZVDRU-CVEARBPZSA-N 2 1 357.495 0.339 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418628767 489712490 /nfs/dbraw/zinc/71/24/90/489712490.db2.gz CRMRAQVLDLZQOD-SJORKVTESA-N 2 1 359.474 0.512 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418634075 489713234 /nfs/dbraw/zinc/71/32/34/489713234.db2.gz YFXBEWQGNUPBOX-OAGGEKHMSA-N 2 1 356.511 0.894 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418634075 489713236 /nfs/dbraw/zinc/71/32/36/489713236.db2.gz YFXBEWQGNUPBOX-OAGGEKHMSA-N 2 1 356.511 0.894 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418660017 489716339 /nfs/dbraw/zinc/71/63/39/489716339.db2.gz WRLFDAXVVRCHGB-SJLPKXTDSA-N 2 1 356.511 0.897 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686642 489718196 /nfs/dbraw/zinc/71/81/96/489718196.db2.gz PJKXPQZVDUVQRK-GVDBMIGSSA-N 2 1 359.474 0.381 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125996 489719540 /nfs/dbraw/zinc/71/95/40/489719540.db2.gz YKUBDBCJQHIPSX-ARFHVFGLSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000470055751 489722552 /nfs/dbraw/zinc/72/25/52/489722552.db2.gz KDUCGIDGSLECAA-INIZCTEOSA-N 2 1 361.490 0.362 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789947 489727443 /nfs/dbraw/zinc/72/74/43/489727443.db2.gz MHMKNKLBSOWJMS-DLBZAZTESA-N 3 1 355.527 0.422 20 0 FCADMP O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489885166 489733472 /nfs/dbraw/zinc/73/34/72/489733472.db2.gz PNYFCEHXDXNHLB-HXUWFJFHSA-N 2 1 371.529 0.310 20 0 FCADMP O=C(CN1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489885164 489733573 /nfs/dbraw/zinc/73/35/73/489733573.db2.gz PNYFCEHXDXNHLB-FQEVSTJZSA-N 2 1 371.529 0.310 20 0 FCADMP CC(C)[C@@](C)([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(N)=O ZINC000459463709 489733630 /nfs/dbraw/zinc/73/36/30/489733630.db2.gz NARWMOUDKADVDL-GOSISDBHSA-N 2 1 368.522 0.627 20 0 FCADMP C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459539819 489738225 /nfs/dbraw/zinc/73/82/25/489738225.db2.gz QCVFLVQTUVAHGC-DOTOQJQBSA-N 2 1 354.520 0.883 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000418825581 489741624 /nfs/dbraw/zinc/74/16/24/489741624.db2.gz ACOPYKAIVWLBCU-VNQPRFMTSA-N 2 1 360.458 0.234 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418834415 489745884 /nfs/dbraw/zinc/74/58/84/489745884.db2.gz OJJOLRFHYTXRBV-MRXNPFEDSA-N 2 1 366.506 0.254 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)O1 ZINC000570958662 491276152 /nfs/dbraw/zinc/27/61/52/491276152.db2.gz JQQVOFZWSGRSBC-ZNMIVQPWSA-N 2 1 350.467 0.341 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)C[C@H](C)O1 ZINC000570958662 491276153 /nfs/dbraw/zinc/27/61/53/491276153.db2.gz JQQVOFZWSGRSBC-ZNMIVQPWSA-N 2 1 350.467 0.341 20 0 FCADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000430571417 489747172 /nfs/dbraw/zinc/74/71/72/489747172.db2.gz CUCQXAMPXTWRCJ-SWLSCSKDSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000430571417 489747179 /nfs/dbraw/zinc/74/71/79/489747179.db2.gz CUCQXAMPXTWRCJ-SWLSCSKDSA-N 2 1 354.476 0.722 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000418839664 489750121 /nfs/dbraw/zinc/75/01/21/489750121.db2.gz DHLBAGBRWRUURE-YDZRNGNQSA-N 2 1 370.497 0.963 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418843045 489752531 /nfs/dbraw/zinc/75/25/31/489752531.db2.gz RBMRWEIHIZWOFG-KXBFYZLASA-N 2 1 360.458 0.745 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418848593 489754113 /nfs/dbraw/zinc/75/41/13/489754113.db2.gz LTNSHDBENHUYSO-ZBFHGGJFSA-N 2 1 362.474 0.482 20 0 FCADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615879 489754913 /nfs/dbraw/zinc/75/49/13/489754913.db2.gz DSFMAWSJQISEJA-CQSZACIVSA-N 2 1 361.446 0.370 20 0 FCADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615879 489754915 /nfs/dbraw/zinc/75/49/15/489754915.db2.gz DSFMAWSJQISEJA-CQSZACIVSA-N 2 1 361.446 0.370 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(F)cc1 ZINC000430616771 489755139 /nfs/dbraw/zinc/75/51/39/489755139.db2.gz HPGATUZOUWAQLH-INIZCTEOSA-N 2 1 362.449 0.586 20 0 FCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430622865 489755831 /nfs/dbraw/zinc/75/58/31/489755831.db2.gz MIOOEVXQHZXEMA-ZDUSSCGKSA-N 2 1 354.476 0.594 20 0 FCADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622554 489756126 /nfs/dbraw/zinc/75/61/26/489756126.db2.gz FQWHGMYWSHLKCS-ZIAGYGMSSA-N 2 1 373.457 0.147 20 0 FCADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622554 489756129 /nfs/dbraw/zinc/75/61/29/489756129.db2.gz FQWHGMYWSHLKCS-ZIAGYGMSSA-N 2 1 373.457 0.147 20 0 FCADMP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430624959 489757169 /nfs/dbraw/zinc/75/71/69/489757169.db2.gz JPVXGATYFNCYQC-MRXNPFEDSA-N 2 1 362.474 0.488 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626717 489757280 /nfs/dbraw/zinc/75/72/80/489757280.db2.gz MGHZJRWQMNTLPP-QLFBSQMISA-N 2 1 367.494 0.178 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636980 489760653 /nfs/dbraw/zinc/76/06/53/489760653.db2.gz BNRSEIXSAQEVNT-ZBFHGGJFSA-N 2 1 360.458 0.587 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636980 489760655 /nfs/dbraw/zinc/76/06/55/489760655.db2.gz BNRSEIXSAQEVNT-ZBFHGGJFSA-N 2 1 360.458 0.587 20 0 FCADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430640809 489761083 /nfs/dbraw/zinc/76/10/83/489761083.db2.gz HZGYMVFKBGRLPB-LSDHHAIUSA-N 2 1 362.474 0.659 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376613276 489761145 /nfs/dbraw/zinc/76/11/45/489761145.db2.gz ODSANRVISAXYKQ-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH2+][C@H]1CCN([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430643066 489762269 /nfs/dbraw/zinc/76/22/69/489762269.db2.gz LIKPSCLGGXNXTR-APWZRJJASA-N 2 1 360.502 0.817 20 0 FCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430668896 489763152 /nfs/dbraw/zinc/76/31/52/489763152.db2.gz SGINUJPKULLFPL-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430668896 489763154 /nfs/dbraw/zinc/76/31/54/489763154.db2.gz SGINUJPKULLFPL-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418862339 489763576 /nfs/dbraw/zinc/76/35/76/489763576.db2.gz ODBFDUXFRGZVRL-FGTMMUONSA-N 2 1 356.470 0.730 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863670 489763594 /nfs/dbraw/zinc/76/35/94/489763594.db2.gz BSKTVWOOLJJVFL-HZPDHXFCSA-N 2 1 368.522 0.498 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000430794079 489771429 /nfs/dbraw/zinc/77/14/29/489771429.db2.gz ZCNAJYRHVMEERX-KRWDZBQOSA-N 2 1 374.445 0.208 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000376661890 489771380 /nfs/dbraw/zinc/77/13/80/489771380.db2.gz YGVGSBHYTFTAFY-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376661890 489771386 /nfs/dbraw/zinc/77/13/86/489771386.db2.gz YGVGSBHYTFTAFY-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376661890 489771392 /nfs/dbraw/zinc/77/13/92/489771392.db2.gz YGVGSBHYTFTAFY-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000459866111 489773860 /nfs/dbraw/zinc/77/38/60/489773860.db2.gz MBJNLKKHZDHXOE-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000459874423 489777791 /nfs/dbraw/zinc/77/77/91/489777791.db2.gz XZUVNCBUCKMLPO-QGZVFWFLSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000459874423 489777792 /nfs/dbraw/zinc/77/77/92/489777792.db2.gz XZUVNCBUCKMLPO-QGZVFWFLSA-N 2 1 352.523 0.977 20 0 FCADMP Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430936856 489779457 /nfs/dbraw/zinc/77/94/57/489779457.db2.gz XHCWJWVBTIDUOC-MRXNPFEDSA-N 2 1 358.486 0.996 20 0 FCADMP Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430936856 489779461 /nfs/dbraw/zinc/77/94/61/489779461.db2.gz XHCWJWVBTIDUOC-MRXNPFEDSA-N 2 1 358.486 0.996 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000431004142 489784396 /nfs/dbraw/zinc/78/43/96/489784396.db2.gz IDPXGAFBHYJEBO-ZWKOTPCHSA-N 2 1 368.522 0.008 20 0 FCADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000431041978 489786133 /nfs/dbraw/zinc/78/61/33/489786133.db2.gz BHOYTWOAIPQPFQ-UHFFFAOYSA-N 2 1 359.409 0.815 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C[C@@H]21 ZINC000459905000 489786980 /nfs/dbraw/zinc/78/69/80/489786980.db2.gz MLQBRTNSGJAWJA-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000459918895 489792930 /nfs/dbraw/zinc/79/29/30/489792930.db2.gz JNQHPIJQUZOHPJ-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000418927426 489793305 /nfs/dbraw/zinc/79/33/05/489793305.db2.gz SVPDNTAHTBBFTH-GOEBONIOSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418937177 489796553 /nfs/dbraw/zinc/79/65/53/489796553.db2.gz FRFCJBMAUJOMJY-GOEBONIOSA-N 2 1 362.474 0.464 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000459928179 489796921 /nfs/dbraw/zinc/79/69/21/489796921.db2.gz BOGYCVWDFACNCY-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000459928179 489796925 /nfs/dbraw/zinc/79/69/25/489796925.db2.gz BOGYCVWDFACNCY-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418942234 489798585 /nfs/dbraw/zinc/79/85/85/489798585.db2.gz ASEKDJQJENSZHO-OSMBCOQSSA-N 2 1 362.449 0.678 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418950144 489801819 /nfs/dbraw/zinc/80/18/19/489801819.db2.gz VTFGAOPIHCKIKU-KZNAEPCWSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418954175 489803551 /nfs/dbraw/zinc/80/35/51/489803551.db2.gz WCHCMXMXVWZJGG-OXJNMPFZSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000459999762 489813737 /nfs/dbraw/zinc/81/37/37/489813737.db2.gz CLDSPEGEHGXQFY-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419023158 489821562 /nfs/dbraw/zinc/82/15/62/489821562.db2.gz JFJVFYPTBLZTRB-DMRKSPOLSA-N 2 1 352.523 0.973 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419024768 489822386 /nfs/dbraw/zinc/82/23/86/489822386.db2.gz LANVJDDPBJQJSA-DRRXZNNHSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419024771 489822625 /nfs/dbraw/zinc/82/26/25/489822625.db2.gz LANVJDDPBJQJSA-JSRQGNBESA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419023948 489822663 /nfs/dbraw/zinc/82/26/63/489822663.db2.gz KMIDDWJGBBIBSF-YPLQCARHSA-N 2 1 364.534 0.973 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)[C@H](C)C1 ZINC000419034753 489827163 /nfs/dbraw/zinc/82/71/63/489827163.db2.gz DWBMIXXDNYCRES-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)[C@@H](C)C1 ZINC000419034751 489827599 /nfs/dbraw/zinc/82/75/99/489827599.db2.gz DWBMIXXDNYCRES-BBWFWOEESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419047652 489834167 /nfs/dbraw/zinc/83/41/67/489834167.db2.gz UALJTDDKPILIFW-KBAYOESNSA-N 2 1 374.485 0.433 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C[C@H]1[NH+](C)C ZINC000460064966 489840037 /nfs/dbraw/zinc/84/00/37/489840037.db2.gz XLKCQZRYIZSZLA-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCOc1ccc(F)cc1 ZINC000492997126 489840445 /nfs/dbraw/zinc/84/04/45/489840445.db2.gz XRKGZRANOPJAAD-UHFFFAOYSA-N 2 1 366.481 0.890 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCOc1ccc(F)cc1 ZINC000492997126 489840448 /nfs/dbraw/zinc/84/04/48/489840448.db2.gz XRKGZRANOPJAAD-UHFFFAOYSA-N 2 1 366.481 0.890 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064879 489840887 /nfs/dbraw/zinc/84/08/87/489840887.db2.gz CQQIMNFMIGNSDP-YJBOKZPZSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064879 489840893 /nfs/dbraw/zinc/84/08/93/489840893.db2.gz CQQIMNFMIGNSDP-YJBOKZPZSA-N 2 1 374.485 0.392 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419079964 489848202 /nfs/dbraw/zinc/84/82/02/489848202.db2.gz NYGBTTPTALMKHL-YLFCFFPRSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419080888 489849378 /nfs/dbraw/zinc/84/93/78/489849378.db2.gz QMWKTKZWIARYBR-QBPKDAKJSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419086957 489851837 /nfs/dbraw/zinc/85/18/37/489851837.db2.gz OUXQPCLNIFCNKV-FPCVCCKLSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419092359 489853204 /nfs/dbraw/zinc/85/32/04/489853204.db2.gz XEOUEVLDRTXADS-RBSFLKMASA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419103975 489855642 /nfs/dbraw/zinc/85/56/42/489855642.db2.gz GUVCAWCVPGHYCX-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000555923138 491283498 /nfs/dbraw/zinc/28/34/98/491283498.db2.gz ZCEOUNZTUXEFHJ-IAGOWNOFSA-N 2 1 369.554 0.221 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419110541 489858920 /nfs/dbraw/zinc/85/89/20/489858920.db2.gz CAFQPXOCYLPKSI-PVAVHDDUSA-N 2 1 368.522 0.496 20 0 FCADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000460277746 489861351 /nfs/dbraw/zinc/86/13/51/489861351.db2.gz UTHCWVWNDDKPGR-HNNXBMFYSA-N 2 1 355.527 0.959 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000460277746 489861356 /nfs/dbraw/zinc/86/13/56/489861356.db2.gz UTHCWVWNDDKPGR-HNNXBMFYSA-N 2 1 355.527 0.959 20 0 FCADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000460279170 489861560 /nfs/dbraw/zinc/86/15/60/489861560.db2.gz FAIXBONTAPJICV-SFHVURJKSA-N 2 1 368.570 0.291 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419115564 489862034 /nfs/dbraw/zinc/86/20/34/489862034.db2.gz JXBQBFSKFWHAOS-ZBFHGGJFSA-N 2 1 354.495 0.047 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000476044891 489864770 /nfs/dbraw/zinc/86/47/70/489864770.db2.gz YCLLFEIETOXZLZ-QGZVFWFLSA-N 2 1 355.527 0.421 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000460471298 489867013 /nfs/dbraw/zinc/86/70/13/489867013.db2.gz UKLJWVSYBZSJAN-KRWDZBQOSA-N 2 1 359.584 0.949 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC[NH+](C)C ZINC000460471298 489867016 /nfs/dbraw/zinc/86/70/16/489867016.db2.gz UKLJWVSYBZSJAN-KRWDZBQOSA-N 2 1 359.584 0.949 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@H]2CCCSC2)C1 ZINC000433206820 489871515 /nfs/dbraw/zinc/87/15/15/489871515.db2.gz IMLDODVADLGZIP-DLBZAZTESA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)[C@H]2CCCSC2)C1 ZINC000433206820 489871518 /nfs/dbraw/zinc/87/15/18/489871518.db2.gz IMLDODVADLGZIP-DLBZAZTESA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)C1 ZINC000433206820 489871521 /nfs/dbraw/zinc/87/15/21/489871521.db2.gz IMLDODVADLGZIP-DLBZAZTESA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206829 489872531 /nfs/dbraw/zinc/87/25/31/489872531.db2.gz IMLDODVADLGZIP-SJORKVTESA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206829 489872536 /nfs/dbraw/zinc/87/25/36/489872536.db2.gz IMLDODVADLGZIP-SJORKVTESA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206829 489872540 /nfs/dbraw/zinc/87/25/40/489872540.db2.gz IMLDODVADLGZIP-SJORKVTESA-N 2 1 373.563 0.649 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420001515 489878073 /nfs/dbraw/zinc/87/80/73/489878073.db2.gz QBPROOAAHIYHHK-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420001515 489878079 /nfs/dbraw/zinc/87/80/79/489878079.db2.gz QBPROOAAHIYHHK-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420013520 489880937 /nfs/dbraw/zinc/88/09/37/489880937.db2.gz JDYZSFHEGOIDTD-JKSUJKDBSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000433458757 489886160 /nfs/dbraw/zinc/88/61/60/489886160.db2.gz UXJMUPXBTGZDNW-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458757 489886166 /nfs/dbraw/zinc/88/61/66/489886166.db2.gz UXJMUPXBTGZDNW-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458757 489886169 /nfs/dbraw/zinc/88/61/69/489886169.db2.gz UXJMUPXBTGZDNW-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433466223 489886334 /nfs/dbraw/zinc/88/63/34/489886334.db2.gz LWIICSPFXSJLGZ-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433466223 489886337 /nfs/dbraw/zinc/88/63/37/489886337.db2.gz LWIICSPFXSJLGZ-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433516126 489889777 /nfs/dbraw/zinc/88/97/77/489889777.db2.gz NEPVIWXUNRNIFO-OAHLLOKOSA-N 2 1 352.483 1.067 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420052128 489895120 /nfs/dbraw/zinc/89/51/20/489895120.db2.gz COTBTMNOBINSMW-GOSISDBHSA-N 2 1 373.501 0.121 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070092 489902396 /nfs/dbraw/zinc/90/23/96/489902396.db2.gz JEQMWEDZHYVADI-WMLDXEAASA-N 2 1 366.506 0.332 20 0 FCADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000461381444 489907473 /nfs/dbraw/zinc/90/74/73/489907473.db2.gz NLCFJMNIPIUKPG-WOJBJXKFSA-N 2 1 364.486 0.853 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)CC1 ZINC000564081116 491287293 /nfs/dbraw/zinc/28/72/93/491287293.db2.gz KIWCECUWYIHRHA-UHFFFAOYSA-N 2 1 350.507 0.908 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420132136 489923681 /nfs/dbraw/zinc/92/36/81/489923681.db2.gz AHSSXJMDDACXGV-UHFFFAOYSA-N 2 1 350.507 0.993 20 0 FCADMP C[C@@](O)(CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352236 489923978 /nfs/dbraw/zinc/92/39/78/489923978.db2.gz FUVZWWJSANBWRR-SJLPKXTDSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@](O)(CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352236 489923983 /nfs/dbraw/zinc/92/39/83/489923983.db2.gz FUVZWWJSANBWRR-SJLPKXTDSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000420133008 489925103 /nfs/dbraw/zinc/92/51/03/489925103.db2.gz SXCFBORLKKWULB-WMZOPIPTSA-N 2 1 358.486 0.630 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)CC2)CC1 ZINC000434433094 489927778 /nfs/dbraw/zinc/92/77/78/489927778.db2.gz OLOXHBAFSNUQDH-GOSISDBHSA-N 2 1 365.566 0.639 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141420 489928260 /nfs/dbraw/zinc/92/82/60/489928260.db2.gz ZITDPQQBUFIBGV-KANFNMMFSA-N 2 1 370.497 0.834 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC000495314774 489934765 /nfs/dbraw/zinc/93/47/65/489934765.db2.gz NZZVMGNTSUDNAW-CQSZACIVSA-N 2 1 360.449 0.667 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)CC2)N1 ZINC000564117763 491289374 /nfs/dbraw/zinc/28/93/74/491289374.db2.gz MNMMDVWBKDDPHD-OHTSDLOESA-N 2 1 372.469 0.864 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000420183578 489944523 /nfs/dbraw/zinc/94/45/23/489944523.db2.gz HNFBENCQIGTRHY-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420192781 489947672 /nfs/dbraw/zinc/94/76/72/489947672.db2.gz IBKLYLRBMPXZKM-QGZVFWFLSA-N 2 1 374.485 0.214 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420192781 489947680 /nfs/dbraw/zinc/94/76/80/489947680.db2.gz IBKLYLRBMPXZKM-QGZVFWFLSA-N 2 1 374.485 0.214 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420201438 489950403 /nfs/dbraw/zinc/95/04/03/489950403.db2.gz OQMCHBWPUVSMHB-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420201438 489950406 /nfs/dbraw/zinc/95/04/06/489950406.db2.gz OQMCHBWPUVSMHB-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000420204044 489951432 /nfs/dbraw/zinc/95/14/32/489951432.db2.gz OJIHJCUERBSNBS-HUUCEWRRSA-N 2 1 364.515 0.678 20 0 FCADMP O=C1C[NH2+]CCN1[C@@H]1CCCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307352 489961770 /nfs/dbraw/zinc/96/17/70/489961770.db2.gz LYJYCUDTNXRSII-CHWSQXEVSA-N 2 1 362.396 0.436 20 0 FCADMP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000420298775 489961896 /nfs/dbraw/zinc/96/18/96/489961896.db2.gz SRAIQJAIOQAALJ-AWEZNQCLSA-N 2 1 362.430 0.199 20 0 FCADMP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000420298775 489961899 /nfs/dbraw/zinc/96/18/99/489961899.db2.gz SRAIQJAIOQAALJ-AWEZNQCLSA-N 2 1 362.430 0.199 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC12CCOCC2 ZINC000420319523 489962312 /nfs/dbraw/zinc/96/23/12/489962312.db2.gz AKGMOCHQRZBUFL-CQSZACIVSA-N 2 1 352.479 0.832 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC12CCOCC2 ZINC000420319523 489962316 /nfs/dbraw/zinc/96/23/16/489962316.db2.gz AKGMOCHQRZBUFL-CQSZACIVSA-N 2 1 352.479 0.832 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335480 489964871 /nfs/dbraw/zinc/96/48/71/489964871.db2.gz VARKIGSUCHJCBR-BBWFWOEESA-N 2 1 350.507 0.825 20 0 FCADMP CCCCN(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000420362896 489967563 /nfs/dbraw/zinc/96/75/63/489967563.db2.gz NGEIANNFAWIXFH-HUUCEWRRSA-N 2 1 359.536 0.780 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(O)(C[NH3+])CC3)CC2)cc1 ZINC000420402011 489971269 /nfs/dbraw/zinc/97/12/69/489971269.db2.gz HSIXRYSDQGOVLZ-UHFFFAOYSA-N 2 1 374.529 0.815 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(O)(C[NH3+])CC3)CC2)cc1 ZINC000420402011 489971270 /nfs/dbraw/zinc/97/12/70/489971270.db2.gz HSIXRYSDQGOVLZ-UHFFFAOYSA-N 3 1 374.529 0.815 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(O)(C[NH3+])CC3)CC2)cc1 ZINC000420402011 489971271 /nfs/dbraw/zinc/97/12/71/489971271.db2.gz HSIXRYSDQGOVLZ-UHFFFAOYSA-N 3 1 374.529 0.815 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392469 489971474 /nfs/dbraw/zinc/97/14/74/489971474.db2.gz BOCUMMIYRVYATH-CABCVRRESA-N 2 1 362.540 0.079 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392469 489971478 /nfs/dbraw/zinc/97/14/78/489971478.db2.gz BOCUMMIYRVYATH-CABCVRRESA-N 2 1 362.540 0.079 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000477594065 489975505 /nfs/dbraw/zinc/97/55/05/489975505.db2.gz WIJPBXNARAZTCY-ZDUSSCGKSA-N 2 1 357.524 0.776 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000477594065 489975506 /nfs/dbraw/zinc/97/55/06/489975506.db2.gz WIJPBXNARAZTCY-ZDUSSCGKSA-N 2 1 357.524 0.776 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477618007 489977351 /nfs/dbraw/zinc/97/73/51/489977351.db2.gz UDICLTZLEKHQPR-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477618007 489977354 /nfs/dbraw/zinc/97/73/54/489977354.db2.gz UDICLTZLEKHQPR-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000477617027 489977538 /nfs/dbraw/zinc/97/75/38/489977538.db2.gz QAYIUUJOLZDDAR-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477618008 489977591 /nfs/dbraw/zinc/97/75/91/489977591.db2.gz UDICLTZLEKHQPR-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477618008 489977594 /nfs/dbraw/zinc/97/75/94/489977594.db2.gz UDICLTZLEKHQPR-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000377931441 489982125 /nfs/dbraw/zinc/98/21/25/489982125.db2.gz JGKBXAFQVZFIFM-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP CNc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420643929 490004083 /nfs/dbraw/zinc/00/40/83/490004083.db2.gz XYXOQQBGOBYZJE-HUUCEWRRSA-N 2 1 362.526 0.396 20 0 FCADMP CC(C)[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000436487940 490007077 /nfs/dbraw/zinc/00/70/77/490007077.db2.gz LWOXTCJCEAEHJQ-INIZCTEOSA-N 2 1 365.526 0.838 20 0 FCADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000378113764 490012121 /nfs/dbraw/zinc/01/21/21/490012121.db2.gz HIANDHOJNNOYAI-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000378113764 490012123 /nfs/dbraw/zinc/01/21/23/490012123.db2.gz HIANDHOJNNOYAI-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP [NH3+]Cc1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000463480314 490019617 /nfs/dbraw/zinc/01/96/17/490019617.db2.gz WXGZIVNAOXXTBR-UHFFFAOYSA-N 2 1 367.453 0.615 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420801335 490023227 /nfs/dbraw/zinc/02/32/27/490023227.db2.gz KHHDBSMAQMNVLP-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC000378314885 490047680 /nfs/dbraw/zinc/04/76/80/490047680.db2.gz LPVVQKWDAYSQTB-LJQANCHMSA-N 2 1 357.502 0.762 20 0 FCADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000556122367 491296571 /nfs/dbraw/zinc/29/65/71/491296571.db2.gz CXTXYSJQWBZPIW-HOTGVXAUSA-N 2 1 370.563 0.636 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202474 490072869 /nfs/dbraw/zinc/07/28/69/490072869.db2.gz QMJSEAFCDAZVRE-GDBMZVCRSA-N 2 1 350.438 0.572 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479201604 490072917 /nfs/dbraw/zinc/07/29/17/490072917.db2.gz ISCWKVCHMTVVPL-DLBZAZTESA-N 2 1 364.465 0.927 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506396458 490085355 /nfs/dbraw/zinc/08/53/55/490085355.db2.gz CFJIYPIIRBLODS-INIZCTEOSA-N 2 1 372.513 0.754 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000519819818 490090934 /nfs/dbraw/zinc/09/09/34/490090934.db2.gz NJIQLQQGPLDVEI-FUHWJXTLSA-N 2 1 356.470 0.669 20 0 FCADMP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000545199461 490096978 /nfs/dbraw/zinc/09/69/78/490096978.db2.gz RLEJETLAXDSLGC-ZDUSSCGKSA-N 2 1 354.476 0.417 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)CSCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421704836 490099300 /nfs/dbraw/zinc/09/93/00/490099300.db2.gz PXINFNCKIUFQGD-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000421724451 490099520 /nfs/dbraw/zinc/09/95/20/490099520.db2.gz BSKBLUXVTYCIDJ-YOEHRIQHSA-N 2 1 356.536 0.481 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000421704838 490099976 /nfs/dbraw/zinc/09/99/76/490099976.db2.gz PXINFNCKIUFQGD-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704838 490099981 /nfs/dbraw/zinc/09/99/81/490099981.db2.gz PXINFNCKIUFQGD-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704838 490099986 /nfs/dbraw/zinc/09/99/86/490099986.db2.gz PXINFNCKIUFQGD-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000421792063 490105457 /nfs/dbraw/zinc/10/54/57/490105457.db2.gz MKQLQKQZBZQNJM-QGZVFWFLSA-N 2 1 350.507 0.918 20 0 FCADMP CCc1nncn1CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000545260336 490106439 /nfs/dbraw/zinc/10/64/39/490106439.db2.gz UDVSGCFMOPRVNG-INIZCTEOSA-N 2 1 365.526 0.898 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000496829994 490128164 /nfs/dbraw/zinc/12/81/64/490128164.db2.gz IBLSCWUCJJGZKE-CVEARBPZSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000496829994 490128166 /nfs/dbraw/zinc/12/81/66/490128166.db2.gz IBLSCWUCJJGZKE-CVEARBPZSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000496829994 490128172 /nfs/dbraw/zinc/12/81/72/490128172.db2.gz IBLSCWUCJJGZKE-CVEARBPZSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000496829994 490128177 /nfs/dbraw/zinc/12/81/77/490128177.db2.gz IBLSCWUCJJGZKE-CVEARBPZSA-N 2 1 355.479 0.583 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000520384987 490141120 /nfs/dbraw/zinc/14/11/20/490141120.db2.gz JBWGBEPXONGNNF-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354137 491303112 /nfs/dbraw/zinc/30/31/12/491303112.db2.gz DPBPJQUZNLPJDH-HOTGVXAUSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465947706 490155289 /nfs/dbraw/zinc/15/52/89/490155289.db2.gz AFBFACMDACDDRL-INIZCTEOSA-N 2 1 364.494 0.858 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465947706 490155294 /nfs/dbraw/zinc/15/52/94/490155294.db2.gz AFBFACMDACDDRL-INIZCTEOSA-N 2 1 364.494 0.858 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000422126698 490177780 /nfs/dbraw/zinc/17/77/80/490177780.db2.gz XAJNSMJGACKGCZ-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@H](C)C1 ZINC000497610601 490182992 /nfs/dbraw/zinc/18/29/92/490182992.db2.gz NKBKFNRKNVLKDM-FGTMMUONSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@H](C)C1 ZINC000497610601 490183000 /nfs/dbraw/zinc/18/30/00/490183000.db2.gz NKBKFNRKNVLKDM-FGTMMUONSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@H](C)C1 ZINC000497610603 490183378 /nfs/dbraw/zinc/18/33/78/490183378.db2.gz NKBKFNRKNVLKDM-KURKYZTESA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@H](C)C1 ZINC000497610603 490183386 /nfs/dbraw/zinc/18/33/86/490183386.db2.gz NKBKFNRKNVLKDM-KURKYZTESA-N 2 1 370.538 0.831 20 0 FCADMP CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564431191 491306392 /nfs/dbraw/zinc/30/63/92/491306392.db2.gz VFAYTQZASQOXCW-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571423019 491307101 /nfs/dbraw/zinc/30/71/01/491307101.db2.gz FRAXADSUMDVVOR-YESZJQIVSA-N 2 1 368.522 0.591 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000571428363 491307308 /nfs/dbraw/zinc/30/73/08/491307308.db2.gz IBRKCMHRNWRQCF-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000571428363 491307309 /nfs/dbraw/zinc/30/73/09/491307309.db2.gz IBRKCMHRNWRQCF-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000571428363 491307311 /nfs/dbraw/zinc/30/73/11/491307311.db2.gz IBRKCMHRNWRQCF-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000571442874 491308250 /nfs/dbraw/zinc/30/82/50/491308250.db2.gz YTYHAHNRPUBKJD-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000571442874 491308252 /nfs/dbraw/zinc/30/82/52/491308252.db2.gz YTYHAHNRPUBKJD-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000571442874 491308253 /nfs/dbraw/zinc/30/82/53/491308253.db2.gz YTYHAHNRPUBKJD-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000571442874 491308255 /nfs/dbraw/zinc/30/82/55/491308255.db2.gz YTYHAHNRPUBKJD-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCOC ZINC000521059732 490219991 /nfs/dbraw/zinc/21/99/91/490219991.db2.gz HJUYGJAGBWORCR-OAHLLOKOSA-N 2 1 350.529 0.157 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000497836479 490221032 /nfs/dbraw/zinc/22/10/32/490221032.db2.gz DSGIWDVILOEVKD-CYBMUJFWSA-N 2 1 363.462 0.377 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425437 490221950 /nfs/dbraw/zinc/22/19/50/490221950.db2.gz BOSFBGXLJZWGTA-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425437 490221952 /nfs/dbraw/zinc/22/19/52/490221952.db2.gz BOSFBGXLJZWGTA-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425437 490221954 /nfs/dbraw/zinc/22/19/54/490221954.db2.gz BOSFBGXLJZWGTA-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000521101967 490225378 /nfs/dbraw/zinc/22/53/78/490225378.db2.gz BNVPCKGBBJLDMT-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422299394 490241476 /nfs/dbraw/zinc/24/14/76/490241476.db2.gz TYPKJSUDIJDKSE-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363915 491312446 /nfs/dbraw/zinc/31/24/46/491312446.db2.gz PFEXHRSEBZDBNB-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000556363915 491312447 /nfs/dbraw/zinc/31/24/47/491312447.db2.gz PFEXHRSEBZDBNB-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000556363915 491312449 /nfs/dbraw/zinc/31/24/49/491312449.db2.gz PFEXHRSEBZDBNB-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000498191313 490267685 /nfs/dbraw/zinc/26/76/85/490267685.db2.gz LCFFJPYQZOVPOA-UHFFFAOYSA-N 2 1 359.430 0.887 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422374010 490286143 /nfs/dbraw/zinc/28/61/43/490286143.db2.gz CEEMCSMASCWNIE-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000422374010 490286151 /nfs/dbraw/zinc/28/61/51/490286151.db2.gz CEEMCSMASCWNIE-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000422374010 490286166 /nfs/dbraw/zinc/28/61/66/490286166.db2.gz CEEMCSMASCWNIE-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000533820033 490287944 /nfs/dbraw/zinc/28/79/44/490287944.db2.gz RDXWHRHLNGZHBG-IRXDYDNUSA-N 2 1 359.474 0.812 20 0 FCADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000533820033 490287945 /nfs/dbraw/zinc/28/79/45/490287945.db2.gz RDXWHRHLNGZHBG-IRXDYDNUSA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000533820033 490287949 /nfs/dbraw/zinc/28/79/49/490287949.db2.gz RDXWHRHLNGZHBG-IRXDYDNUSA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000533820033 490287952 /nfs/dbraw/zinc/28/79/52/490287952.db2.gz RDXWHRHLNGZHBG-IRXDYDNUSA-N 2 1 359.474 0.812 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000422379270 490287996 /nfs/dbraw/zinc/28/79/96/490287996.db2.gz NUCMJYAYDSDULH-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379270 490287999 /nfs/dbraw/zinc/28/79/99/490287999.db2.gz NUCMJYAYDSDULH-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379270 490288005 /nfs/dbraw/zinc/28/80/05/490288005.db2.gz NUCMJYAYDSDULH-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483327001 490307000 /nfs/dbraw/zinc/30/70/00/490307000.db2.gz RLHNOGVMVATSDK-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483327001 490307007 /nfs/dbraw/zinc/30/70/07/490307007.db2.gz RLHNOGVMVATSDK-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000448228720 490321668 /nfs/dbraw/zinc/32/16/68/490321668.db2.gz GCLOUHJWHBLEDN-KRWDZBQOSA-N 2 1 370.457 0.686 20 0 FCADMP CC[C@]1(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707773 490333455 /nfs/dbraw/zinc/33/34/55/490333455.db2.gz USFHBEGRLNILPH-PKOBYXMFSA-N 2 1 352.523 0.772 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626682 491319535 /nfs/dbraw/zinc/31/95/35/491319535.db2.gz PTIVKCAAKRNEHB-BSDSXHPESA-N 2 1 356.470 0.683 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436511 490350834 /nfs/dbraw/zinc/35/08/34/490350834.db2.gz NLNNTGNYNIKZIR-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000422492559 490356951 /nfs/dbraw/zinc/35/69/51/490356951.db2.gz PBAWRIORPINMIA-DLBZAZTESA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000422492559 490356959 /nfs/dbraw/zinc/35/69/59/490356959.db2.gz PBAWRIORPINMIA-DLBZAZTESA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927745 490358504 /nfs/dbraw/zinc/35/85/04/490358504.db2.gz OMMZCKOAQLUKCD-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000483927745 490358509 /nfs/dbraw/zinc/35/85/09/490358509.db2.gz OMMZCKOAQLUKCD-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000483927745 490358520 /nfs/dbraw/zinc/35/85/20/490358520.db2.gz OMMZCKOAQLUKCD-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422493300 490358819 /nfs/dbraw/zinc/35/88/19/490358819.db2.gz PXWGJUODYQMAHH-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422493300 490358827 /nfs/dbraw/zinc/35/88/27/490358827.db2.gz PXWGJUODYQMAHH-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422493300 490358835 /nfs/dbraw/zinc/35/88/35/490358835.db2.gz PXWGJUODYQMAHH-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422493300 490358844 /nfs/dbraw/zinc/35/88/44/490358844.db2.gz PXWGJUODYQMAHH-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000522258394 490359501 /nfs/dbraw/zinc/35/95/01/490359501.db2.gz QVUWKBNQXDYEQZ-TXPKVOOTSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522258394 490359507 /nfs/dbraw/zinc/35/95/07/490359507.db2.gz QVUWKBNQXDYEQZ-TXPKVOOTSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522258394 490359511 /nfs/dbraw/zinc/35/95/11/490359511.db2.gz QVUWKBNQXDYEQZ-TXPKVOOTSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522258392 490359936 /nfs/dbraw/zinc/35/99/36/490359936.db2.gz QVUWKBNQXDYEQZ-GPMSIDNRSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522258392 490359942 /nfs/dbraw/zinc/35/99/42/490359942.db2.gz QVUWKBNQXDYEQZ-GPMSIDNRSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522258392 490359950 /nfs/dbraw/zinc/35/99/50/490359950.db2.gz QVUWKBNQXDYEQZ-GPMSIDNRSA-N 2 1 352.523 0.927 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000498947333 490369138 /nfs/dbraw/zinc/36/91/38/490369138.db2.gz HHDZFQDZVRNZDN-SJORKVTESA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000498947333 490369142 /nfs/dbraw/zinc/36/91/42/490369142.db2.gz HHDZFQDZVRNZDN-SJORKVTESA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000498947333 490369150 /nfs/dbraw/zinc/36/91/50/490369150.db2.gz HHDZFQDZVRNZDN-SJORKVTESA-N 2 1 350.507 0.991 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@H]1[C@H](C(=O)NCC[N@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342648 490390785 /nfs/dbraw/zinc/39/07/85/490390785.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342648 490390792 /nfs/dbraw/zinc/39/07/92/490390792.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342648 490390800 /nfs/dbraw/zinc/39/08/00/490390800.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 2 1 368.522 0.354 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449360775 490411091 /nfs/dbraw/zinc/41/10/91/490411091.db2.gz IQFDOZGYGHPDMY-HXUWFJFHSA-N 2 1 358.486 0.540 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000411243505 490412488 /nfs/dbraw/zinc/41/24/88/490412488.db2.gz LTSNNHQUNOFUPS-UHFFFAOYSA-N 2 1 350.463 0.942 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C)n1 ZINC000411399462 490448930 /nfs/dbraw/zinc/44/89/30/490448930.db2.gz LMHLHLFIWPKHNH-OAHLLOKOSA-N 2 1 362.478 0.598 20 0 FCADMP CC[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](CC)CC ZINC000468837469 490454580 /nfs/dbraw/zinc/45/45/80/490454580.db2.gz FFRXSPMAIVEORK-MRXNPFEDSA-N 2 1 364.494 0.716 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000509723936 490458131 /nfs/dbraw/zinc/45/81/31/490458131.db2.gz ZZPZTHWFMRRIFL-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000509723790 490458400 /nfs/dbraw/zinc/45/84/00/490458400.db2.gz ZJWZSNIVLVTTIQ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000509723790 490458402 /nfs/dbraw/zinc/45/84/02/490458402.db2.gz ZJWZSNIVLVTTIQ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000509723790 490458406 /nfs/dbraw/zinc/45/84/06/490458406.db2.gz ZJWZSNIVLVTTIQ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000484757562 490464386 /nfs/dbraw/zinc/46/43/86/490464386.db2.gz PBCMUVYCDGGYLT-XLNGHYISSA-N 2 1 364.442 0.902 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523481631 490468457 /nfs/dbraw/zinc/46/84/57/490468457.db2.gz HZNSCOASKCUNDU-HZPDHXFCSA-N 2 1 355.527 0.959 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482359 490468977 /nfs/dbraw/zinc/46/89/77/490468977.db2.gz TZLUOYRFTMSYIN-MRXNPFEDSA-N 2 1 366.506 0.790 20 0 FCADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422866841 490488037 /nfs/dbraw/zinc/48/80/37/490488037.db2.gz RAKNAPCYQHNSFA-IRXDYDNUSA-N 2 1 353.488 0.818 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500452205 490517644 /nfs/dbraw/zinc/51/76/44/490517644.db2.gz AVWISHWYTRMGKL-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCO1 ZINC000423036711 490525867 /nfs/dbraw/zinc/52/58/67/490525867.db2.gz LJKWNYLQQKKRBQ-GOSISDBHSA-N 2 1 374.485 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423061114 490533909 /nfs/dbraw/zinc/53/39/09/490533909.db2.gz QDUCKXCBGJCWEW-JFIYKMOQSA-N 2 1 358.486 0.928 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423068300 490535171 /nfs/dbraw/zinc/53/51/71/490535171.db2.gz JONVPMSUZMLZRK-KRWDZBQOSA-N 2 1 358.486 0.930 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000548800211 490542561 /nfs/dbraw/zinc/54/25/61/490542561.db2.gz IJCBDKDDMNBUNL-ZCNNSNEGSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000548800211 490542566 /nfs/dbraw/zinc/54/25/66/490542566.db2.gz IJCBDKDDMNBUNL-ZCNNSNEGSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000548800211 490542570 /nfs/dbraw/zinc/54/25/70/490542570.db2.gz IJCBDKDDMNBUNL-ZCNNSNEGSA-N 2 1 372.513 0.376 20 0 FCADMP COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000485689534 490553426 /nfs/dbraw/zinc/55/34/26/490553426.db2.gz TUCHKZROWGAHIQ-IAGOWNOFSA-N 2 1 365.478 0.139 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC000683107207 493333815 /nfs/dbraw/zinc/33/38/15/493333815.db2.gz NHAUPKIFZZIAIK-HNNXBMFYSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC000683107207 493333818 /nfs/dbraw/zinc/33/38/18/493333818.db2.gz NHAUPKIFZZIAIK-HNNXBMFYSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[N@@H+](C)CC1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000524758595 490556972 /nfs/dbraw/zinc/55/69/72/490556972.db2.gz KSNCPBMRJYWSFN-UHFFFAOYSA-N 2 1 357.524 0.751 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000524858402 490565628 /nfs/dbraw/zinc/56/56/28/490565628.db2.gz GETGWUIGXZPVPO-HZPDHXFCSA-N 2 1 351.495 0.454 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000549527695 490587331 /nfs/dbraw/zinc/58/73/31/490587331.db2.gz YEFOETSNRIYUDS-IYBDPMFKSA-N 2 1 374.485 0.457 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000549527695 490587336 /nfs/dbraw/zinc/58/73/36/490587336.db2.gz YEFOETSNRIYUDS-IYBDPMFKSA-N 2 1 374.485 0.457 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000486214816 490599112 /nfs/dbraw/zinc/59/91/12/490599112.db2.gz LZLQKPBSCVNLQO-FUHWJXTLSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000486214816 490599113 /nfs/dbraw/zinc/59/91/13/490599113.db2.gz LZLQKPBSCVNLQO-FUHWJXTLSA-N 2 1 364.534 0.977 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000511494988 490599563 /nfs/dbraw/zinc/59/95/63/490599563.db2.gz XHXRAGBCGYAWKU-UHFFFAOYSA-N 2 1 364.494 0.824 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000486281043 490604488 /nfs/dbraw/zinc/60/44/88/490604488.db2.gz NSXLDHRYCDADKI-IBGZPJMESA-N 3 1 372.517 0.100 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000486281043 490604493 /nfs/dbraw/zinc/60/44/93/490604493.db2.gz NSXLDHRYCDADKI-IBGZPJMESA-N 2 1 372.517 0.100 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000486281043 490604497 /nfs/dbraw/zinc/60/44/97/490604497.db2.gz NSXLDHRYCDADKI-IBGZPJMESA-N 2 1 372.517 0.100 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958130 491339763 /nfs/dbraw/zinc/33/97/63/491339763.db2.gz JARNTSJVCMFVDJ-PBHICJAKSA-N 2 1 362.474 0.769 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000549985688 490617567 /nfs/dbraw/zinc/61/75/67/490617567.db2.gz MFDBRBPZMSZTSZ-GOEBONIOSA-N 2 1 362.474 0.577 20 0 FCADMP CCCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702531 490624094 /nfs/dbraw/zinc/62/40/94/490624094.db2.gz PYGJQXFHBWXSQG-LSDHHAIUSA-N 2 1 352.479 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000536933946 490625157 /nfs/dbraw/zinc/62/51/57/490625157.db2.gz SKQCAFOETOCCNE-KURKYZTESA-N 2 1 366.506 0.834 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c2ccccc2)CC1 ZINC000556852376 491341079 /nfs/dbraw/zinc/34/10/79/491341079.db2.gz AQADDZZIWGWDQG-FPOVZHCZSA-N 2 1 372.513 0.548 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122042 490627666 /nfs/dbraw/zinc/62/76/66/490627666.db2.gz ONZRCHKSDZJROY-KBXCAEBGSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c2ccccc2)CC1 ZINC000556852375 491341241 /nfs/dbraw/zinc/34/12/41/491341241.db2.gz AQADDZZIWGWDQG-CTNGQTDRSA-N 2 1 372.513 0.548 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000486507419 490641329 /nfs/dbraw/zinc/64/13/29/490641329.db2.gz KCHXJFSKXGLRKP-QGZVFWFLSA-N 2 1 367.538 0.911 20 0 FCADMP O=C([C@H]1CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1)N1CC[NH2+]CC1 ZINC000564988444 491344029 /nfs/dbraw/zinc/34/40/29/491344029.db2.gz NFQMZOIDNZYJAF-INIZCTEOSA-N 2 1 369.469 0.540 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486807604 490673082 /nfs/dbraw/zinc/67/30/82/490673082.db2.gz ICOADIYTCKXIEZ-DQQOZFGGSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486807604 490673090 /nfs/dbraw/zinc/67/30/90/490673090.db2.gz ICOADIYTCKXIEZ-DQQOZFGGSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486807604 490673097 /nfs/dbraw/zinc/67/30/97/490673097.db2.gz ICOADIYTCKXIEZ-DQQOZFGGSA-N 2 1 364.534 0.925 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000550582202 490678229 /nfs/dbraw/zinc/67/82/29/490678229.db2.gz OKVSLFHTYHQQQC-IYBDPMFKSA-N 2 1 370.538 0.837 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000550582202 490678234 /nfs/dbraw/zinc/67/82/34/490678234.db2.gz OKVSLFHTYHQQQC-IYBDPMFKSA-N 2 1 370.538 0.837 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000550582202 490678237 /nfs/dbraw/zinc/67/82/37/490678237.db2.gz OKVSLFHTYHQQQC-IYBDPMFKSA-N 2 1 370.538 0.837 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000550582202 490678240 /nfs/dbraw/zinc/67/82/40/490678240.db2.gz OKVSLFHTYHQQQC-IYBDPMFKSA-N 2 1 370.538 0.837 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000550584460 490678623 /nfs/dbraw/zinc/67/86/23/490678623.db2.gz YMXTUZGOAGMJDY-HOTGVXAUSA-N 2 1 370.538 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487073975 490691309 /nfs/dbraw/zinc/69/13/09/490691309.db2.gz QNTBVSCSAWGDIT-ZXLDYLNASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487073975 490691311 /nfs/dbraw/zinc/69/13/11/490691311.db2.gz QNTBVSCSAWGDIT-ZXLDYLNASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487073975 490691313 /nfs/dbraw/zinc/69/13/13/490691313.db2.gz QNTBVSCSAWGDIT-ZXLDYLNASA-N 2 1 364.534 0.830 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487671688 490724381 /nfs/dbraw/zinc/72/43/81/490724381.db2.gz GRQDWROGCIWXCC-SJORKVTESA-N 2 1 356.511 0.632 20 0 FCADMP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000527447036 490724955 /nfs/dbraw/zinc/72/49/55/490724955.db2.gz FDNYYQLIXKWACW-XHSDSOJGSA-N 2 1 352.458 0.726 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000502915760 490729998 /nfs/dbraw/zinc/72/99/98/490729998.db2.gz BNKAKGVSTSDSAX-IKGGRYGDSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000502915760 490729999 /nfs/dbraw/zinc/72/99/99/490729999.db2.gz BNKAKGVSTSDSAX-IKGGRYGDSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000502915760 490730001 /nfs/dbraw/zinc/73/00/01/490730001.db2.gz BNKAKGVSTSDSAX-IKGGRYGDSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462298 490730329 /nfs/dbraw/zinc/73/03/29/490730329.db2.gz CZUMOVJRTKRRIR-JKSUJKDBSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513469958 490731929 /nfs/dbraw/zinc/73/19/29/490731929.db2.gz UBISDHSYHCCHBW-MRXNPFEDSA-N 2 1 369.554 0.175 20 0 FCADMP COCCCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513886616 490753219 /nfs/dbraw/zinc/75/32/19/490753219.db2.gz ODWNLXCKUHDFKW-UHFFFAOYSA-N 2 1 354.495 0.015 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000514141411 490763725 /nfs/dbraw/zinc/76/37/25/490763725.db2.gz FBQMFJKTCCRKPO-HUUCEWRRSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000514141411 490763728 /nfs/dbraw/zinc/76/37/28/490763728.db2.gz FBQMFJKTCCRKPO-HUUCEWRRSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000514232272 490767975 /nfs/dbraw/zinc/76/79/75/490767975.db2.gz JSFVVBZYCXQWOB-AWEZNQCLSA-N 2 1 368.503 0.873 20 0 FCADMP CN(CCC[NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000514617627 490776458 /nfs/dbraw/zinc/77/64/58/490776458.db2.gz WIVGQKNPJUODSY-QGZVFWFLSA-N 2 1 361.490 0.874 20 0 FCADMP CN1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154444 491356800 /nfs/dbraw/zinc/35/68/00/491356800.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 2 1 359.518 0.835 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000515011524 490803037 /nfs/dbraw/zinc/80/30/37/490803037.db2.gz ODCPECSNDLWQMG-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000515073135 490807515 /nfs/dbraw/zinc/80/75/15/490807515.db2.gz GFEQADRYCZEVBC-RBUKOAKNSA-N 2 1 357.502 0.950 20 0 FCADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299926 490814891 /nfs/dbraw/zinc/81/48/91/490814891.db2.gz VRDGRTNTKDMTNW-HIFRSBDPSA-N 2 1 368.503 0.572 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299926 490814895 /nfs/dbraw/zinc/81/48/95/490814895.db2.gz VRDGRTNTKDMTNW-HIFRSBDPSA-N 2 1 368.503 0.572 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000540325350 490817607 /nfs/dbraw/zinc/81/76/07/490817607.db2.gz CTTSREDVARWDSK-WMLDXEAASA-N 2 1 372.535 0.703 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000540325350 490817610 /nfs/dbraw/zinc/81/76/10/490817610.db2.gz CTTSREDVARWDSK-WMLDXEAASA-N 2 1 372.535 0.703 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000529326105 490852942 /nfs/dbraw/zinc/85/29/42/490852942.db2.gz LKBAMZJNPABRRM-NPYXIHBLSA-N 2 1 365.522 0.709 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215658 490857419 /nfs/dbraw/zinc/85/74/19/490857419.db2.gz AYSUDEZZVXIKTE-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000516215658 490857423 /nfs/dbraw/zinc/85/74/23/490857423.db2.gz AYSUDEZZVXIKTE-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)n1 ZINC000565190782 491359260 /nfs/dbraw/zinc/35/92/60/491359260.db2.gz XKAWAEHPIRARLK-UHFFFAOYSA-N 2 1 350.511 0.448 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000542659333 490903562 /nfs/dbraw/zinc/90/35/62/490903562.db2.gz KUYKKYXMWSWVTA-KSZLIROESA-N 2 1 354.539 0.876 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000542659333 490903564 /nfs/dbraw/zinc/90/35/64/490903564.db2.gz KUYKKYXMWSWVTA-KSZLIROESA-N 2 1 354.539 0.876 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239939 491364028 /nfs/dbraw/zinc/36/40/28/491364028.db2.gz OBBUXYKPLNKFAU-CGTJXYLNSA-N 2 1 356.470 0.814 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239939 491364030 /nfs/dbraw/zinc/36/40/30/491364030.db2.gz OBBUXYKPLNKFAU-CGTJXYLNSA-N 2 1 356.470 0.814 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000517567068 490912657 /nfs/dbraw/zinc/91/26/57/490912657.db2.gz YWMVRPSAOXEJTF-OAHLLOKOSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530679682 490919105 /nfs/dbraw/zinc/91/91/05/490919105.db2.gz YEVJJIIQHQDLND-PZJWPPBQSA-N 2 1 373.497 0.804 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000565249035 491364876 /nfs/dbraw/zinc/36/48/76/491364876.db2.gz GFSJCTICZVQWDD-OAHLLOKOSA-N 2 1 357.462 0.177 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000518225209 490933754 /nfs/dbraw/zinc/93/37/54/490933754.db2.gz HYEGZOSHSMJQSX-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531052834 490937540 /nfs/dbraw/zinc/93/75/40/490937540.db2.gz LESIGPLJBASIRG-FQEVSTJZSA-N 2 1 360.502 0.377 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000518440907 490941243 /nfs/dbraw/zinc/94/12/43/490941243.db2.gz WJJWLHYRXRQBPF-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440907 490941244 /nfs/dbraw/zinc/94/12/44/490941244.db2.gz WJJWLHYRXRQBPF-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440907 490941246 /nfs/dbraw/zinc/94/12/46/490941246.db2.gz WJJWLHYRXRQBPF-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C[C@@H]12 ZINC000518514679 490943769 /nfs/dbraw/zinc/94/37/69/490943769.db2.gz IMSPEHRJCDAOGC-RTKZEXODSA-N 2 1 360.502 0.657 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000572381601 491366058 /nfs/dbraw/zinc/36/60/58/491366058.db2.gz QBDRYKGTAVDSQO-INMHGKMJSA-N 2 1 351.495 0.369 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000544008105 490954900 /nfs/dbraw/zinc/95/49/00/490954900.db2.gz LTDSBYSJZKRVBX-MRXNPFEDSA-N 2 1 353.511 0.701 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000518934796 490955594 /nfs/dbraw/zinc/95/55/94/490955594.db2.gz OKNLKLOLHADYJD-BBRMVZONSA-N 2 1 358.442 0.660 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000557303961 491366523 /nfs/dbraw/zinc/36/65/23/491366523.db2.gz FAPSCDNIDXIGBF-UHFFFAOYSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000531484062 490960306 /nfs/dbraw/zinc/96/03/06/490960306.db2.gz ZCUHRDGRAOWGIN-HOCLYGCPSA-N 2 1 365.522 0.854 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3CC[N@H+](C)C3)C2(C)C)C1 ZINC000531491531 490960861 /nfs/dbraw/zinc/96/08/61/490960861.db2.gz NSJMVABUMMNFQG-DIOPXHOYSA-N 2 1 364.534 0.925 20 0 FCADMP O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000572392540 491367069 /nfs/dbraw/zinc/36/70/69/491367069.db2.gz ZXDJKNOXMKKJLT-QZTJIDSGSA-N 2 1 362.518 0.921 20 0 FCADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000519541580 490975112 /nfs/dbraw/zinc/97/51/12/490975112.db2.gz CPSRWWAJMLMLFF-SJORKVTESA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812236 490975443 /nfs/dbraw/zinc/97/54/43/490975443.db2.gz HNAYWLYXVHRMFA-DOTOQJQBSA-N 2 1 363.506 0.419 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532027688 490983578 /nfs/dbraw/zinc/98/35/78/490983578.db2.gz GEHUQGLYSZYTOV-ZWKOTPCHSA-N 2 1 368.522 0.728 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000532264885 490990113 /nfs/dbraw/zinc/99/01/13/490990113.db2.gz ZMXJSEQJRGMULI-GVDBMIGSSA-N 2 1 354.495 0.384 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315168 490990840 /nfs/dbraw/zinc/99/08/40/490990840.db2.gz NXRLDAAKOHANBR-WMLDXEAASA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569560106 491168059 /nfs/dbraw/zinc/16/80/59/491168059.db2.gz FVOOVEXDXZJJRO-AHCXZYCDSA-N 2 1 374.485 0.198 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569560106 491168061 /nfs/dbraw/zinc/16/80/61/491168061.db2.gz FVOOVEXDXZJJRO-AHCXZYCDSA-N 2 1 374.485 0.198 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000554029325 491171012 /nfs/dbraw/zinc/17/10/12/491171012.db2.gz GKDCGXIPDJVQFP-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000569621735 491175440 /nfs/dbraw/zinc/17/54/40/491175440.db2.gz ROIFLOYAVJODEO-UHFFFAOYSA-N 3 1 357.462 0.844 20 0 FCADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC2C[NH2+]C2)CC1 ZINC000569674726 491180796 /nfs/dbraw/zinc/18/07/96/491180796.db2.gz IMCINHRNMTZDEY-UHFFFAOYSA-N 2 1 369.267 0.689 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000569706391 491184192 /nfs/dbraw/zinc/18/41/92/491184192.db2.gz NUWJQJSPIXNZQD-BZUAXINKSA-N 2 1 352.479 0.038 20 0 FCADMP CC(C)(CCC[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000569724963 491186520 /nfs/dbraw/zinc/18/65/20/491186520.db2.gz WYQBJJGDLBZOKI-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP COC[C@@]1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCC[NH2+]1 ZINC000572467125 491372280 /nfs/dbraw/zinc/37/22/80/491372280.db2.gz HWQVEDBEARSSNF-YJBOKZPZSA-N 2 1 354.495 0.650 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000557485796 491376987 /nfs/dbraw/zinc/37/69/87/491376987.db2.gz MFOSLZFAFHCPFJ-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000572620980 491382027 /nfs/dbraw/zinc/38/20/27/491382027.db2.gz WNMOUCHNJHAEGZ-BRWVUGGUSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561014 491382970 /nfs/dbraw/zinc/38/29/70/491382970.db2.gz DNQPPJJBSLNGMW-GOEBONIOSA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000565615493 491389461 /nfs/dbraw/zinc/38/94/61/491389461.db2.gz FYHYJVCXVBQQDN-CVEARBPZSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000565615493 491389464 /nfs/dbraw/zinc/38/94/64/491389464.db2.gz FYHYJVCXVBQQDN-CVEARBPZSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000565615493 491389467 /nfs/dbraw/zinc/38/94/67/491389467.db2.gz FYHYJVCXVBQQDN-CVEARBPZSA-N 2 1 356.511 0.450 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000660280924 493339635 /nfs/dbraw/zinc/33/96/35/493339635.db2.gz KQONFYXAHWAAIP-CVEARBPZSA-N 2 1 361.490 0.703 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CC[N@@H+]1C ZINC000660281351 493339688 /nfs/dbraw/zinc/33/96/88/493339688.db2.gz XRIOPDTZOSFLPQ-CABCVRRESA-N 2 1 362.478 0.023 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000565727598 491395936 /nfs/dbraw/zinc/39/59/36/491395936.db2.gz PINRFJYASHFAHZ-QGZVFWFLSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000557754029 491396642 /nfs/dbraw/zinc/39/66/42/491396642.db2.gz JRUFEDLAYQOUKO-MRXNPFEDSA-N 2 1 364.494 0.594 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000557754029 491396645 /nfs/dbraw/zinc/39/66/45/491396645.db2.gz JRUFEDLAYQOUKO-MRXNPFEDSA-N 2 1 364.494 0.594 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754111 491397797 /nfs/dbraw/zinc/39/77/97/491397797.db2.gz VKLJMMNGRHGRII-OTWHNJEPSA-N 2 1 356.555 0.416 20 0 FCADMP COCC[NH+](C)C[C@H](O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754111 491397798 /nfs/dbraw/zinc/39/77/98/491397798.db2.gz VKLJMMNGRHGRII-OTWHNJEPSA-N 2 1 356.555 0.416 20 0 FCADMP COCC[NH+](C)C[C@H](O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754111 491397800 /nfs/dbraw/zinc/39/78/00/491397800.db2.gz VKLJMMNGRHGRII-OTWHNJEPSA-N 2 1 356.555 0.416 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000565826632 491401771 /nfs/dbraw/zinc/40/17/71/491401771.db2.gz WRAKWGOZXJOJIM-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000565826632 491401772 /nfs/dbraw/zinc/40/17/72/491401772.db2.gz WRAKWGOZXJOJIM-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565826632 491401775 /nfs/dbraw/zinc/40/17/75/491401775.db2.gz WRAKWGOZXJOJIM-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565826632 491401776 /nfs/dbraw/zinc/40/17/76/491401776.db2.gz WRAKWGOZXJOJIM-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000565826626 491401831 /nfs/dbraw/zinc/40/18/31/491401831.db2.gz WRAKWGOZXJOJIM-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000565826626 491401834 /nfs/dbraw/zinc/40/18/34/491401834.db2.gz WRAKWGOZXJOJIM-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565826626 491401836 /nfs/dbraw/zinc/40/18/36/491401836.db2.gz WRAKWGOZXJOJIM-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565826626 491401838 /nfs/dbraw/zinc/40/18/38/491401838.db2.gz WRAKWGOZXJOJIM-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000565941979 491408274 /nfs/dbraw/zinc/40/82/74/491408274.db2.gz OKYWSBDTJSFWGW-CYBMUJFWSA-N 2 1 367.519 0.006 20 0 FCADMP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000573027768 491408609 /nfs/dbraw/zinc/40/86/09/491408609.db2.gz PMJANNISFIVJJS-UHFFFAOYSA-N 2 1 364.490 0.053 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573202218 491418804 /nfs/dbraw/zinc/41/88/04/491418804.db2.gz QPDPZIXNKQRXOB-QZTJIDSGSA-N 2 1 358.486 0.932 20 0 FCADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566129629 491419524 /nfs/dbraw/zinc/41/95/24/491419524.db2.gz GWMUWSMHKLPDIN-GDBMZVCRSA-N 2 1 355.504 0.788 20 0 FCADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566129629 491419526 /nfs/dbraw/zinc/41/95/26/491419526.db2.gz GWMUWSMHKLPDIN-GDBMZVCRSA-N 2 1 355.504 0.788 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000558210944 491420012 /nfs/dbraw/zinc/42/00/12/491420012.db2.gz WYLBTMNESTUSBT-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529764 493342036 /nfs/dbraw/zinc/34/20/36/493342036.db2.gz BUHMDSONRRLFOY-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529764 493342038 /nfs/dbraw/zinc/34/20/38/493342038.db2.gz BUHMDSONRRLFOY-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2 ZINC000558352695 491426596 /nfs/dbraw/zinc/42/65/96/491426596.db2.gz UULLWKLUIUCHBP-MRXNPFEDSA-N 2 1 361.490 0.862 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000573570221 491441088 /nfs/dbraw/zinc/44/10/88/491441088.db2.gz MLIKIXQHNRTCIA-ROUUACIJSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](CO)OC[C@H]3C)CC2)CC1 ZINC000566439718 491443685 /nfs/dbraw/zinc/44/36/85/491443685.db2.gz LTWIICXWMMMWAI-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](CO)OC[C@@H]3C)CC2)CC1 ZINC000566439719 491443706 /nfs/dbraw/zinc/44/37/06/491443706.db2.gz LTWIICXWMMMWAI-MAUKXSAKSA-N 2 1 353.507 0.791 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566728450 491462948 /nfs/dbraw/zinc/46/29/48/491462948.db2.gz ZJHPLIWSKRBSAI-ZDUSSCGKSA-N 2 1 370.375 0.484 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566728450 491462950 /nfs/dbraw/zinc/46/29/50/491462950.db2.gz ZJHPLIWSKRBSAI-ZDUSSCGKSA-N 2 1 370.375 0.484 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC000559307923 491463679 /nfs/dbraw/zinc/46/36/79/491463679.db2.gz KESQAFMDJCAPJR-SFHVURJKSA-N 2 1 350.511 0.823 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000559376747 491468214 /nfs/dbraw/zinc/46/82/14/491468214.db2.gz OVNSKIUBHZBLPW-UHFFFAOYSA-N 2 1 356.511 0.137 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559389923 491469665 /nfs/dbraw/zinc/46/96/65/491469665.db2.gz OCUNCWKXJCTUSS-HOCLYGCPSA-N 2 1 360.458 0.886 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000559389923 491469667 /nfs/dbraw/zinc/46/96/67/491469667.db2.gz OCUNCWKXJCTUSS-HOCLYGCPSA-N 2 1 360.458 0.886 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150768 491477491 /nfs/dbraw/zinc/47/74/91/491477491.db2.gz GAPROAOESGNZDY-RTBURBONSA-N 2 1 371.485 0.731 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000574191064 491479913 /nfs/dbraw/zinc/47/99/13/491479913.db2.gz ATFRELAOSCCBHX-AMBYYYRHSA-N 2 1 370.497 0.786 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000574223100 491482217 /nfs/dbraw/zinc/48/22/17/491482217.db2.gz WGJDEZZWSOHGIC-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000567098970 491485839 /nfs/dbraw/zinc/48/58/39/491485839.db2.gz JBYFKLYYUSHHHY-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000567098970 491485840 /nfs/dbraw/zinc/48/58/40/491485840.db2.gz JBYFKLYYUSHHHY-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000567098970 491485841 /nfs/dbraw/zinc/48/58/41/491485841.db2.gz JBYFKLYYUSHHHY-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000567098970 491485842 /nfs/dbraw/zinc/48/58/42/491485842.db2.gz JBYFKLYYUSHHHY-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[N@@H+]1CCOC ZINC000567113723 491486829 /nfs/dbraw/zinc/48/68/29/491486829.db2.gz NCOKJRHIGKGZRE-HNNXBMFYSA-N 2 1 352.483 0.590 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[N@H+]1CCOC ZINC000567113723 491486832 /nfs/dbraw/zinc/48/68/32/491486832.db2.gz NCOKJRHIGKGZRE-HNNXBMFYSA-N 2 1 352.483 0.590 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000574395547 491493060 /nfs/dbraw/zinc/49/30/60/491493060.db2.gz HNUVXTHAVBQFRU-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000559760930 491497035 /nfs/dbraw/zinc/49/70/35/491497035.db2.gz SFYGGNMAUGYURV-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868014 491506970 /nfs/dbraw/zinc/50/69/70/491506970.db2.gz WZKJZBFNHIEXDI-IFIJOSMWSA-N 2 1 354.520 0.139 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCN1C ZINC000574598885 491507913 /nfs/dbraw/zinc/50/79/13/491507913.db2.gz DLVLVEXMFXRNGH-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+]1C ZINC000574598885 491507915 /nfs/dbraw/zinc/50/79/15/491507915.db2.gz DLVLVEXMFXRNGH-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+]1C ZINC000574598885 491507918 /nfs/dbraw/zinc/50/79/18/491507918.db2.gz DLVLVEXMFXRNGH-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+]1C ZINC000574598885 491507919 /nfs/dbraw/zinc/50/79/19/491507919.db2.gz DLVLVEXMFXRNGH-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000567575015 491514712 /nfs/dbraw/zinc/51/47/12/491514712.db2.gz ULLIMCLYJQPIPG-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560022234 491515382 /nfs/dbraw/zinc/51/53/82/491515382.db2.gz VEZXLHYFNYDNMV-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560024459 491516052 /nfs/dbraw/zinc/51/60/52/491516052.db2.gz LNUIIMQGYITMHB-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000574876444 491525485 /nfs/dbraw/zinc/52/54/85/491525485.db2.gz GBPPWUJOVWSCFE-SFHVURJKSA-N 2 1 374.485 0.475 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000560299050 491529366 /nfs/dbraw/zinc/52/93/66/491529366.db2.gz FWULLZQOHOEITF-HNNXBMFYSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000575005989 491533001 /nfs/dbraw/zinc/53/30/01/491533001.db2.gz GEFRTVCOSCSPOB-CQSZACIVSA-N 2 1 368.522 0.496 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893684 491539122 /nfs/dbraw/zinc/53/91/22/491539122.db2.gz JGDGQCPYZBZONP-DLBZAZTESA-N 2 1 359.470 0.794 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893684 491539124 /nfs/dbraw/zinc/53/91/24/491539124.db2.gz JGDGQCPYZBZONP-DLBZAZTESA-N 2 1 359.470 0.794 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567982567 491544721 /nfs/dbraw/zinc/54/47/21/491544721.db2.gz BGUBVDHICUXVLA-PKOBYXMFSA-N 2 1 352.523 0.759 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567983145 491544789 /nfs/dbraw/zinc/54/47/89/491544789.db2.gz SLIXZASIBRMHIL-SFHVURJKSA-N 2 1 373.501 0.183 20 0 FCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000560568570 491545304 /nfs/dbraw/zinc/54/53/04/491545304.db2.gz ODEPEMNFDHRESM-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000560568570 491545306 /nfs/dbraw/zinc/54/53/06/491545306.db2.gz ODEPEMNFDHRESM-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000568009019 491547080 /nfs/dbraw/zinc/54/70/80/491547080.db2.gz SXCVVWSPHBISML-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000560656281 491550008 /nfs/dbraw/zinc/55/00/08/491550008.db2.gz XOZORKJAGIYELH-HNNXBMFYSA-N 2 1 357.458 0.392 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000560656281 491550010 /nfs/dbraw/zinc/55/00/10/491550010.db2.gz XOZORKJAGIYELH-HNNXBMFYSA-N 2 1 357.458 0.392 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)CCC(F)(F)F ZINC000560654276 491550194 /nfs/dbraw/zinc/55/01/94/491550194.db2.gz QEQYGNQERFDQPD-GFCCVEGCSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)CCC(F)(F)F ZINC000560654276 491550195 /nfs/dbraw/zinc/55/01/95/491550195.db2.gz QEQYGNQERFDQPD-GFCCVEGCSA-N 2 1 364.412 0.730 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)CCC(F)(F)F ZINC000560654276 491550196 /nfs/dbraw/zinc/55/01/96/491550196.db2.gz QEQYGNQERFDQPD-GFCCVEGCSA-N 2 1 364.412 0.730 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)CCC(F)(F)F ZINC000560654276 491550197 /nfs/dbraw/zinc/55/01/97/491550197.db2.gz QEQYGNQERFDQPD-GFCCVEGCSA-N 2 1 364.412 0.730 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000560772111 491556750 /nfs/dbraw/zinc/55/67/50/491556750.db2.gz QFEGEDFOFWABBM-UHFFFAOYSA-N 2 1 368.522 0.597 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000560882502 491561570 /nfs/dbraw/zinc/56/15/70/491561570.db2.gz IXLOJODGXRYEIQ-SFHVURJKSA-N 2 1 369.469 0.946 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560882502 491561572 /nfs/dbraw/zinc/56/15/72/491561572.db2.gz IXLOJODGXRYEIQ-SFHVURJKSA-N 2 1 369.469 0.946 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295697 491567876 /nfs/dbraw/zinc/56/78/76/491567876.db2.gz LUFXNSQDHACJEI-RCCFBDPRSA-N 2 1 371.485 0.604 20 0 FCADMP CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000575898643 491568637 /nfs/dbraw/zinc/56/86/37/491568637.db2.gz SDAKYQWAPGVSDK-INIZCTEOSA-N 3 1 353.511 0.306 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000575902761 491569077 /nfs/dbraw/zinc/56/90/77/491569077.db2.gz XNFOGCLDJMDKDJ-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000568373614 491572415 /nfs/dbraw/zinc/57/24/15/491572415.db2.gz OIDAMCADESIHFY-HZPDHXFCSA-N 2 1 366.506 0.333 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc[nH+]1 ZINC000576037356 491577525 /nfs/dbraw/zinc/57/75/25/491577525.db2.gz WWQDNRPSTFUNAQ-FQUUOJAGSA-N 2 1 366.441 0.082 20 0 FCADMP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561188103 491581292 /nfs/dbraw/zinc/58/12/92/491581292.db2.gz ZKANEOKPGGEVPW-SJLPKXTDSA-N 2 1 373.501 0.628 20 0 FCADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000568534835 491584674 /nfs/dbraw/zinc/58/46/74/491584674.db2.gz FKGSOHFPCHWHDM-RYQLBKOJSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000576146378 491585879 /nfs/dbraw/zinc/58/58/79/491585879.db2.gz VKXSBOYNIWJNHY-KEYYUXOJSA-N 2 1 350.507 0.774 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC000576146831 491586347 /nfs/dbraw/zinc/58/63/47/491586347.db2.gz FLDPFZLFKZFBJX-FQEVSTJZSA-N 2 1 362.518 0.923 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000673650361 493353077 /nfs/dbraw/zinc/35/30/77/493353077.db2.gz OQJIDUYEGAZRGG-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635261 491595422 /nfs/dbraw/zinc/59/54/22/491595422.db2.gz XAMGTQYKADOESZ-FCEWJHQRSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@]1(n2cc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)cn2)CCS(=O)(=O)C1 ZINC000577274396 491608659 /nfs/dbraw/zinc/60/86/59/491608659.db2.gz IKDINRKRNZRXCB-KGLIPLIRSA-N 2 1 362.446 0.751 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)CCC[NH+](C)C)C2 ZINC000576374658 491609597 /nfs/dbraw/zinc/60/95/97/491609597.db2.gz WXZAMSUXRRZTNL-MQVJKMGUSA-N 2 1 353.511 0.663 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000561551399 491615999 /nfs/dbraw/zinc/61/59/99/491615999.db2.gz KNXRRACXJKBGQM-INIZCTEOSA-N 2 1 351.495 0.989 20 0 FCADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000561551399 491616000 /nfs/dbraw/zinc/61/60/00/491616000.db2.gz KNXRRACXJKBGQM-INIZCTEOSA-N 2 1 351.495 0.989 20 0 FCADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000561551399 491616001 /nfs/dbraw/zinc/61/60/01/491616001.db2.gz KNXRRACXJKBGQM-INIZCTEOSA-N 2 1 351.495 0.989 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000568915981 491619629 /nfs/dbraw/zinc/61/96/29/491619629.db2.gz WTTGGNXXEIHKJU-ZACQAIPSSA-N 2 1 365.522 0.842 20 0 FCADMP CCC[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000576520891 491622063 /nfs/dbraw/zinc/62/20/63/491622063.db2.gz NPHKQYLUTUFPNO-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCCC1 ZINC000561652454 491623255 /nfs/dbraw/zinc/62/32/55/491623255.db2.gz KQDUKUPZVRMEGE-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000561897242 491638348 /nfs/dbraw/zinc/63/83/48/491638348.db2.gz TVUNDNGAXNPYRN-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000576729940 491640597 /nfs/dbraw/zinc/64/05/97/491640597.db2.gz MYLKIZYDBZKTRM-RDJZCZTQSA-N 2 1 359.474 0.380 20 0 FCADMP OC[C@@H]1CSCCN1Cc1cncc(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000577706424 491643769 /nfs/dbraw/zinc/64/37/69/491643769.db2.gz RPMKKMRLHCQBKH-CALCHBBNSA-N 2 1 369.556 0.901 20 0 FCADMP OC[C@@H]1CSCCN1Cc1cncc(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000577706424 491643772 /nfs/dbraw/zinc/64/37/72/491643772.db2.gz RPMKKMRLHCQBKH-CALCHBBNSA-N 2 1 369.556 0.901 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000577714685 491644248 /nfs/dbraw/zinc/64/42/48/491644248.db2.gz SZZMOAKYVUWIMA-PKOBYXMFSA-N 2 1 358.486 0.942 20 0 FCADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000577714685 491644251 /nfs/dbraw/zinc/64/42/51/491644251.db2.gz SZZMOAKYVUWIMA-PKOBYXMFSA-N 2 1 358.486 0.942 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000577714685 491644254 /nfs/dbraw/zinc/64/42/54/491644254.db2.gz SZZMOAKYVUWIMA-PKOBYXMFSA-N 2 1 358.486 0.942 20 0 FCADMP CCC[NH2+][C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000577753451 491649117 /nfs/dbraw/zinc/64/91/17/491649117.db2.gz GGZXARXMWBPMII-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000569349931 491655042 /nfs/dbraw/zinc/65/50/42/491655042.db2.gz ATESHRYJIKZXED-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CS(=O)(=O)C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458506 491663609 /nfs/dbraw/zinc/66/36/09/491663609.db2.gz MBQQZNXWSAIJTI-GOEBONIOSA-N 2 1 369.531 0.629 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000578169383 491671281 /nfs/dbraw/zinc/67/12/81/491671281.db2.gz CGJRRCWVRGBWGO-GJZGRUSLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343137 491675116 /nfs/dbraw/zinc/67/51/16/491675116.db2.gz CCNYRSVCLZMMLV-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343137 491675117 /nfs/dbraw/zinc/67/51/17/491675117.db2.gz CCNYRSVCLZMMLV-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578354032 491675475 /nfs/dbraw/zinc/67/54/75/491675475.db2.gz HGVAMTGKWKQUGH-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578354032 491675476 /nfs/dbraw/zinc/67/54/76/491675476.db2.gz HGVAMTGKWKQUGH-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000578748743 491683599 /nfs/dbraw/zinc/68/35/99/491683599.db2.gz AOBGEEJVWLNDFR-RYUDHWBXSA-N 2 1 351.216 0.498 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000578774540 491684070 /nfs/dbraw/zinc/68/40/70/491684070.db2.gz DMUSZHKKVQSMFS-INIZCTEOSA-N 2 1 368.547 0.484 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043268 491689842 /nfs/dbraw/zinc/68/98/42/491689842.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[N@H+](C)C1CC1 ZINC000579043268 491689843 /nfs/dbraw/zinc/68/98/43/491689843.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000579043268 491689844 /nfs/dbraw/zinc/68/98/44/491689844.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147904 491692074 /nfs/dbraw/zinc/69/20/74/491692074.db2.gz WZWVIIQZNCHMMK-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000579265573 491694383 /nfs/dbraw/zinc/69/43/83/491694383.db2.gz DIYBJCRJCASCFH-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000579265573 491694384 /nfs/dbraw/zinc/69/43/84/491694384.db2.gz DIYBJCRJCASCFH-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000579265573 491694385 /nfs/dbraw/zinc/69/43/85/491694385.db2.gz DIYBJCRJCASCFH-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)[C@@H]2C1 ZINC000579342600 491695640 /nfs/dbraw/zinc/69/56/40/491695640.db2.gz WRJHQXSZUGNIIQ-AKHDSKFASA-N 2 1 370.497 0.740 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)[C@@H]2C1 ZINC000579342603 491695740 /nfs/dbraw/zinc/69/57/40/491695740.db2.gz WRJHQXSZUGNIIQ-ZSYWTGECSA-N 2 1 370.497 0.740 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000579408012 491697398 /nfs/dbraw/zinc/69/73/98/491697398.db2.gz SSWWNHXBOHRPCK-FPOVZHCZSA-N 2 1 373.497 0.757 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000579453786 491698132 /nfs/dbraw/zinc/69/81/32/491698132.db2.gz UBLKHKSOLIQDST-FZCLSBEQSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000579715223 491703754 /nfs/dbraw/zinc/70/37/54/491703754.db2.gz UIDDBJDJFPIRFA-OWCLPIDISA-N 2 1 354.495 0.250 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000579735726 491704283 /nfs/dbraw/zinc/70/42/83/491704283.db2.gz MYGBOGWXGKGPCL-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000584775028 491713936 /nfs/dbraw/zinc/71/39/36/491713936.db2.gz SPPZFQQOVQSECQ-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCSC1 ZINC000580031357 491714077 /nfs/dbraw/zinc/71/40/77/491714077.db2.gz GSYCPYOMEBVMFK-QGZVFWFLSA-N 2 1 357.568 0.749 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000580062310 491715345 /nfs/dbraw/zinc/71/53/45/491715345.db2.gz DOAWSAKRIVZLTL-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)NCC[NH+]1CCCCCC1 ZINC000580613195 491738633 /nfs/dbraw/zinc/73/86/33/491738633.db2.gz ZQIDZCXWMKZWJZ-IAGOWNOFSA-N 2 1 365.522 0.905 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580715053 491743015 /nfs/dbraw/zinc/74/30/15/491743015.db2.gz YEALZMBXHPNBQL-KLHDSHLOSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580715053 491743017 /nfs/dbraw/zinc/74/30/17/491743017.db2.gz YEALZMBXHPNBQL-KLHDSHLOSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580715056 491743103 /nfs/dbraw/zinc/74/31/03/491743103.db2.gz YEALZMBXHPNBQL-QKPAOTATSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580715056 491743104 /nfs/dbraw/zinc/74/31/04/491743104.db2.gz YEALZMBXHPNBQL-QKPAOTATSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580764487 491744480 /nfs/dbraw/zinc/74/44/80/491744480.db2.gz HCTPNIWXLWQXGX-MAUKXSAKSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580764487 491744481 /nfs/dbraw/zinc/74/44/81/491744481.db2.gz HCTPNIWXLWQXGX-MAUKXSAKSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000580824231 491747299 /nfs/dbraw/zinc/74/72/99/491747299.db2.gz ZKODBXWRBKYNMR-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000581122434 491760186 /nfs/dbraw/zinc/76/01/86/491760186.db2.gz NDWFFTSLLSDGQJ-DRRXZNNHSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1CC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC000581150304 491761266 /nfs/dbraw/zinc/76/12/66/491761266.db2.gz STTMZFGRSFDVEX-HUUCEWRRSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1CC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC000581150304 491761268 /nfs/dbraw/zinc/76/12/68/491761268.db2.gz STTMZFGRSFDVEX-HUUCEWRRSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000581245151 491765504 /nfs/dbraw/zinc/76/55/04/491765504.db2.gz AYKSDAWIHFYXLD-KANFNMMFSA-N 2 1 370.497 0.773 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000581370132 491770302 /nfs/dbraw/zinc/77/03/02/491770302.db2.gz KMXNYBVWDPPLHG-DAXOMENPSA-N 2 1 366.487 0.722 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000581419390 491772107 /nfs/dbraw/zinc/77/21/07/491772107.db2.gz PWIGKWFBCQJQMH-UHFFFAOYSA-N 2 1 354.495 0.254 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000590314817 491773289 /nfs/dbraw/zinc/77/32/89/491773289.db2.gz CUWVERRQGGGNQL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000590314817 491773292 /nfs/dbraw/zinc/77/32/92/491773292.db2.gz CUWVERRQGGGNQL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000590314817 491773294 /nfs/dbraw/zinc/77/32/94/491773294.db2.gz CUWVERRQGGGNQL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC1CC[NH2+]CC1 ZINC000581537639 491776558 /nfs/dbraw/zinc/77/65/58/491776558.db2.gz UWNMDDRJZIXTNO-UHFFFAOYSA-N 2 1 361.494 0.288 20 0 FCADMP CN(c1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618668 491780166 /nfs/dbraw/zinc/78/01/66/491780166.db2.gz KOYKTDHBHZBAMD-OALUTQOASA-N 3 1 371.529 0.961 20 0 FCADMP CN(c1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618668 491780168 /nfs/dbraw/zinc/78/01/68/491780168.db2.gz KOYKTDHBHZBAMD-OALUTQOASA-N 3 1 371.529 0.961 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000581716702 491783851 /nfs/dbraw/zinc/78/38/51/491783851.db2.gz QERITQCUUOAIPW-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000581716702 491783853 /nfs/dbraw/zinc/78/38/53/491783853.db2.gz QERITQCUUOAIPW-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583936 493363851 /nfs/dbraw/zinc/36/38/51/493363851.db2.gz GPORDYSGOUOMMZ-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583936 493363853 /nfs/dbraw/zinc/36/38/53/493363853.db2.gz GPORDYSGOUOMMZ-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583936 493363854 /nfs/dbraw/zinc/36/38/54/493363854.db2.gz GPORDYSGOUOMMZ-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583935 493363868 /nfs/dbraw/zinc/36/38/68/493363868.db2.gz GPORDYSGOUOMMZ-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583935 493363870 /nfs/dbraw/zinc/36/38/70/493363870.db2.gz GPORDYSGOUOMMZ-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583935 493363872 /nfs/dbraw/zinc/36/38/72/493363872.db2.gz GPORDYSGOUOMMZ-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@H+]1C1CC1 ZINC000581747633 491785203 /nfs/dbraw/zinc/78/52/03/491785203.db2.gz SGSIWOJQWDHGTM-OAGGEKHMSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747633 491785204 /nfs/dbraw/zinc/78/52/04/491785204.db2.gz SGSIWOJQWDHGTM-OAGGEKHMSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747633 491785205 /nfs/dbraw/zinc/78/52/05/491785205.db2.gz SGSIWOJQWDHGTM-OAGGEKHMSA-N 2 1 366.506 0.345 20 0 FCADMP Cn1nnc2c1nccc2C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000582134238 491799777 /nfs/dbraw/zinc/79/97/77/491799777.db2.gz QOHZPYXDVPCJNF-UHFFFAOYSA-N 2 1 352.402 0.762 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000591410574 491804919 /nfs/dbraw/zinc/80/49/19/491804919.db2.gz RJDXKXQSPSYBCU-GOSISDBHSA-N 2 1 373.501 0.889 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000591410574 491804920 /nfs/dbraw/zinc/80/49/20/491804920.db2.gz RJDXKXQSPSYBCU-GOSISDBHSA-N 2 1 373.501 0.889 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740272 491824919 /nfs/dbraw/zinc/82/49/19/491824919.db2.gz KDZMEEVYOTWVGY-CXAGYDPISA-N 2 1 354.520 0.140 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000582834531 491828643 /nfs/dbraw/zinc/82/86/43/491828643.db2.gz MIMRFLYKQOCGKX-LSDHHAIUSA-N 2 1 367.519 0.324 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000582834604 491828685 /nfs/dbraw/zinc/82/86/85/491828685.db2.gz SVHKGOKEVSBUHB-LJQANCHMSA-N 2 1 357.502 0.734 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914921 491832256 /nfs/dbraw/zinc/83/22/56/491832256.db2.gz HNJWKQCLUHEDLR-OKZBNKHCSA-N 2 1 371.485 0.604 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582954443 491833879 /nfs/dbraw/zinc/83/38/79/491833879.db2.gz YSGQDTPYEJQWIB-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583138212 491838900 /nfs/dbraw/zinc/83/89/00/491838900.db2.gz ZVGFCINOXVVTQJ-YTQUADARSA-N 2 1 370.497 0.787 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+](C)C1 ZINC000583552069 491847349 /nfs/dbraw/zinc/84/73/49/491847349.db2.gz CDHBBKXEAUNQMO-MSOLQXFVSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552069 491847350 /nfs/dbraw/zinc/84/73/50/491847350.db2.gz CDHBBKXEAUNQMO-MSOLQXFVSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552069 491847351 /nfs/dbraw/zinc/84/73/51/491847351.db2.gz CDHBBKXEAUNQMO-MSOLQXFVSA-N 2 1 374.485 0.857 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@]3(C1)CCC[N@@H+](C)C3)CC[NH2+]CC2 ZINC000583807770 491852307 /nfs/dbraw/zinc/85/23/07/491852307.db2.gz ZPJRUZYIWJNHEG-JXFKEZNVSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611638350 491864441 /nfs/dbraw/zinc/86/44/41/491864441.db2.gz SKRCDUDSNNNULR-UKPHBRMFSA-N 2 1 364.490 0.097 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594988085 491875489 /nfs/dbraw/zinc/87/54/89/491875489.db2.gz CGLYRPCBHZHFQE-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594988085 491875492 /nfs/dbraw/zinc/87/54/92/491875492.db2.gz CGLYRPCBHZHFQE-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594988085 491875494 /nfs/dbraw/zinc/87/54/94/491875494.db2.gz CGLYRPCBHZHFQE-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1C(=O)CCC1=O ZINC000601472933 491925010 /nfs/dbraw/zinc/92/50/10/491925010.db2.gz AJSULZAVEYCUBU-HIFRSBDPSA-N 2 1 350.463 0.151 20 0 FCADMP C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472933 491925012 /nfs/dbraw/zinc/92/50/12/491925012.db2.gz AJSULZAVEYCUBU-HIFRSBDPSA-N 2 1 350.463 0.151 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542146 491930581 /nfs/dbraw/zinc/93/05/81/491930581.db2.gz GYZHYUIONZTHCH-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546005 491931709 /nfs/dbraw/zinc/93/17/09/491931709.db2.gz OFHGNGSZQMRSIP-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546987 491932438 /nfs/dbraw/zinc/93/24/38/491932438.db2.gz XRYQXGZMUWOICU-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546987 491932439 /nfs/dbraw/zinc/93/24/39/491932439.db2.gz XRYQXGZMUWOICU-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546987 491932440 /nfs/dbraw/zinc/93/24/40/491932440.db2.gz XRYQXGZMUWOICU-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612600800 491937958 /nfs/dbraw/zinc/93/79/58/491937958.db2.gz KQUFHSJJEYIVRD-QGZVFWFLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@]1(NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878750 491956626 /nfs/dbraw/zinc/95/66/26/491956626.db2.gz MNVJQSVKHYWGPA-YLJYHZDGSA-N 2 1 373.501 0.935 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974019 491960720 /nfs/dbraw/zinc/96/07/20/491960720.db2.gz NNLBASVWTANSOS-CABCVRRESA-N 2 1 351.495 0.370 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595909854 491960985 /nfs/dbraw/zinc/96/09/85/491960985.db2.gz UAMQLZPJCFFTPL-UHFFFAOYSA-N 2 1 362.478 0.902 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595909854 491960988 /nfs/dbraw/zinc/96/09/88/491960988.db2.gz UAMQLZPJCFFTPL-UHFFFAOYSA-N 2 1 362.478 0.902 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659979 491990121 /nfs/dbraw/zinc/99/01/21/491990121.db2.gz GHDJALSNWXFTMU-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000603907670 492047002 /nfs/dbraw/zinc/04/70/02/492047002.db2.gz NDMKZNNWHMEOPV-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604182384 492052989 /nfs/dbraw/zinc/05/29/89/492052989.db2.gz FKZZTFLQUFWPHO-INIZCTEOSA-N 2 1 358.490 0.869 20 0 FCADMP Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000614854545 492060383 /nfs/dbraw/zinc/06/03/83/492060383.db2.gz PZIWRZJAOVCMAS-HNNXBMFYSA-N 2 1 372.473 0.216 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604667706 492067313 /nfs/dbraw/zinc/06/73/13/492067313.db2.gz IDMZNHLPBBAXGS-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667706 492067315 /nfs/dbraw/zinc/06/73/15/492067315.db2.gz IDMZNHLPBBAXGS-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000604668224 492067655 /nfs/dbraw/zinc/06/76/55/492067655.db2.gz VQSKZSQOGRXPLZ-MSOLQXFVSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000604668224 492067657 /nfs/dbraw/zinc/06/76/57/492067657.db2.gz VQSKZSQOGRXPLZ-MSOLQXFVSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000604668224 492067658 /nfs/dbraw/zinc/06/76/58/492067658.db2.gz VQSKZSQOGRXPLZ-MSOLQXFVSA-N 2 1 365.522 0.176 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000605879562 492104363 /nfs/dbraw/zinc/10/43/63/492104363.db2.gz LDWCZHKLHFNVRK-HOTGVXAUSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000605879562 492104364 /nfs/dbraw/zinc/10/43/64/492104364.db2.gz LDWCZHKLHFNVRK-HOTGVXAUSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000605879562 492104365 /nfs/dbraw/zinc/10/43/65/492104365.db2.gz LDWCZHKLHFNVRK-HOTGVXAUSA-N 2 1 351.495 0.357 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000605964590 492108853 /nfs/dbraw/zinc/10/88/53/492108853.db2.gz QPHKVUGUZGIMPX-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606685544 492126705 /nfs/dbraw/zinc/12/67/05/492126705.db2.gz RMRSRIQEIBFYPF-CQSZACIVSA-N 2 1 353.511 0.569 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732330 492260118 /nfs/dbraw/zinc/26/01/18/492260118.db2.gz ANDAOSWYDITGMU-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732330 492260120 /nfs/dbraw/zinc/26/01/20/492260120.db2.gz ANDAOSWYDITGMU-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000619900059 492282301 /nfs/dbraw/zinc/28/23/01/492282301.db2.gz RMEIYEXFZBHRCT-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900059 492282302 /nfs/dbraw/zinc/28/23/02/492282302.db2.gz RMEIYEXFZBHRCT-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900059 492282304 /nfs/dbraw/zinc/28/23/04/492282304.db2.gz RMEIYEXFZBHRCT-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000620325369 492303790 /nfs/dbraw/zinc/30/37/90/492303790.db2.gz QSNHFODBYOKHCF-KRWDZBQOSA-N 2 1 354.495 0.603 20 0 FCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641808943 492306921 /nfs/dbraw/zinc/30/69/21/492306921.db2.gz VCQKIPJZFNPLSU-UONOGXRCSA-N 2 1 352.504 0.928 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469227 492308180 /nfs/dbraw/zinc/30/81/80/492308180.db2.gz OLZBWZXGHJEQBA-MSOLQXFVSA-N 2 1 374.485 0.072 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825679 492311124 /nfs/dbraw/zinc/31/11/24/492311124.db2.gz VYXXIKUMCGCRFC-JKSUJKDBSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825679 492311125 /nfs/dbraw/zinc/31/11/25/492311125.db2.gz VYXXIKUMCGCRFC-JKSUJKDBSA-N 2 1 366.506 0.284 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627475186 492312457 /nfs/dbraw/zinc/31/24/57/492312457.db2.gz HCXAOIGGEUTCPC-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([N@@H+]3CC[C@@H](O)C3)CC1)n2C ZINC000620481975 492313481 /nfs/dbraw/zinc/31/34/81/492313481.db2.gz ZJEANWOEAUUYQB-CQSZACIVSA-N 2 1 372.473 0.706 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([N@H+]3CC[C@@H](O)C3)CC1)n2C ZINC000620481975 492313484 /nfs/dbraw/zinc/31/34/84/492313484.db2.gz ZJEANWOEAUUYQB-CQSZACIVSA-N 2 1 372.473 0.706 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000642083307 492331686 /nfs/dbraw/zinc/33/16/86/492331686.db2.gz UYTAOZAZHBQATB-SQWLQELKSA-N 2 1 364.446 0.107 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642076218 492331793 /nfs/dbraw/zinc/33/17/93/492331793.db2.gz MMKBUVFQBHZUSM-INIZCTEOSA-N 2 1 366.506 0.396 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634296901 492334761 /nfs/dbraw/zinc/33/47/61/492334761.db2.gz COPVDFFPNWVNFP-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634296901 492334764 /nfs/dbraw/zinc/33/47/64/492334764.db2.gz COPVDFFPNWVNFP-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H](CNC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334862 /nfs/dbraw/zinc/33/48/62/492334862.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 2 1 354.417 0.830 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334866 /nfs/dbraw/zinc/33/48/66/492334866.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 2 1 354.417 0.830 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334870 /nfs/dbraw/zinc/33/48/70/492334870.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 2 1 354.417 0.830 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647617205 492335045 /nfs/dbraw/zinc/33/50/45/492335045.db2.gz KXYCBYJAJPYMGG-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642119459 492336502 /nfs/dbraw/zinc/33/65/02/492336502.db2.gz RPCWAYJGDJTONB-ARFHVFGLSA-N 2 1 368.522 0.578 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254044 492345154 /nfs/dbraw/zinc/34/51/54/492345154.db2.gz ZZWGOIXOAXTKAN-AEFFLSMTSA-N 2 1 358.486 0.868 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253918 492345674 /nfs/dbraw/zinc/34/56/74/492345674.db2.gz QMXKHWCEJSUFNV-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642253875 492345715 /nfs/dbraw/zinc/34/57/15/492345715.db2.gz ODYHQMFZULPSSK-QRVBRYPASA-N 2 1 370.497 0.693 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642254038 492345813 /nfs/dbraw/zinc/34/58/13/492345813.db2.gz ZYOBDBGWUPOXPN-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253883 492346007 /nfs/dbraw/zinc/34/60/07/492346007.db2.gz OMKFOMYOLSMNPX-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCNC3=O)CC2)CC1 ZINC000654759128 492346626 /nfs/dbraw/zinc/34/66/26/492346626.db2.gz HOHKETQDZPJZSB-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)cc1F ZINC000642330004 492352298 /nfs/dbraw/zinc/35/22/98/492352298.db2.gz GEQAJZPZIRTTCH-UHFFFAOYSA-N 2 1 359.405 0.804 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000642522224 492362208 /nfs/dbraw/zinc/36/22/08/492362208.db2.gz UGIBCBXDCXPYCA-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CS(=O)(=O)NC1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634713254 492363147 /nfs/dbraw/zinc/36/31/47/492363147.db2.gz SQYZCNPEOFCRAP-JCYILVPMSA-N 2 1 353.488 0.293 20 0 FCADMP CS(=O)(=O)NC1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634713254 492363148 /nfs/dbraw/zinc/36/31/48/492363148.db2.gz SQYZCNPEOFCRAP-JCYILVPMSA-N 2 1 353.488 0.293 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000642550367 492363445 /nfs/dbraw/zinc/36/34/45/492363445.db2.gz FNWHTOIJUIWRRB-CGTJXYLNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640624 492368239 /nfs/dbraw/zinc/36/82/39/492368239.db2.gz BXCBWDLAJOSQJP-LAVFITLUSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640654 492368275 /nfs/dbraw/zinc/36/82/75/492368275.db2.gz FFKRFDSRNZYNEO-DZOHQFGASA-N 2 1 358.486 0.867 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640736 492368960 /nfs/dbraw/zinc/36/89/60/492368960.db2.gz PTFSXPVUZWAJAL-OKZBNKHCSA-N 2 1 358.486 0.820 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640947 492369337 /nfs/dbraw/zinc/36/93/37/492369337.db2.gz PTJDFMFARRXVRT-KBAYOESNSA-N 2 1 356.470 0.491 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000642680538 492372676 /nfs/dbraw/zinc/37/26/76/492372676.db2.gz WGIFOHMJCNPBRW-LBPRGKRZSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000642680538 492372679 /nfs/dbraw/zinc/37/26/79/492372679.db2.gz WGIFOHMJCNPBRW-LBPRGKRZSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1)CCC(F)(F)F ZINC000642680481 492372875 /nfs/dbraw/zinc/37/28/75/492372875.db2.gz JNGYURZDUYZXKN-CYBMUJFWSA-N 2 1 366.428 0.833 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1)CCC(F)(F)F ZINC000642680481 492372877 /nfs/dbraw/zinc/37/28/77/492372877.db2.gz JNGYURZDUYZXKN-CYBMUJFWSA-N 2 1 366.428 0.833 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000642731514 492381935 /nfs/dbraw/zinc/38/19/35/492381935.db2.gz XWMAJBUQDQREGY-SFHVURJKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642733046 492382365 /nfs/dbraw/zinc/38/23/65/492382365.db2.gz TTYPVGDNZMHVOT-QAPCUYQASA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642732681 492382535 /nfs/dbraw/zinc/38/25/35/492382535.db2.gz OREGKWPICGQPHH-TWMKSMIVSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744946 492384488 /nfs/dbraw/zinc/38/44/88/492384488.db2.gz RIZNKTLTXLPIMN-JQHSSLGASA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744946 492384493 /nfs/dbraw/zinc/38/44/93/492384493.db2.gz RIZNKTLTXLPIMN-JQHSSLGASA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976676 492389836 /nfs/dbraw/zinc/38/98/36/492389836.db2.gz RVZAHGCPERDCCS-DJIMGWMZSA-N 2 1 350.507 0.810 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785832 492391873 /nfs/dbraw/zinc/39/18/73/492391873.db2.gz MMFGTEQXAUUNSX-SFHVURJKSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000642808974 492396765 /nfs/dbraw/zinc/39/67/65/492396765.db2.gz VVOIDOFVIDTAGS-QGZVFWFLSA-N 2 1 364.465 0.830 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000642903354 492400066 /nfs/dbraw/zinc/40/00/66/492400066.db2.gz HXFAGIZTNQRSLY-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000642903354 492400067 /nfs/dbraw/zinc/40/00/67/492400067.db2.gz HXFAGIZTNQRSLY-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642908236 492401674 /nfs/dbraw/zinc/40/16/74/492401674.db2.gz MEIHWTYYWFOAPL-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000642907278 492401705 /nfs/dbraw/zinc/40/17/05/492401705.db2.gz LZZJXBXFPADEQD-AXRJEEMOSA-N 2 1 366.506 0.473 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000642981233 492410050 /nfs/dbraw/zinc/41/00/50/492410050.db2.gz WZHRPFPZVBDAPA-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643014737 492414803 /nfs/dbraw/zinc/41/48/03/492414803.db2.gz UPXBEKZFXFQWDE-DIKXUDHVSA-N 2 1 374.529 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@H](C)O1 ZINC000621838267 492421584 /nfs/dbraw/zinc/42/15/84/492421584.db2.gz BCMQMXHMEYJHOH-YGTYGHESSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@H](C)O1 ZINC000621838267 492421586 /nfs/dbraw/zinc/42/15/86/492421586.db2.gz BCMQMXHMEYJHOH-YGTYGHESSA-N 2 1 366.506 0.330 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838219 492421603 /nfs/dbraw/zinc/42/16/03/492421603.db2.gz ABEXMXMCBPGSPU-PXNSSMCTSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843812 492424745 /nfs/dbraw/zinc/42/47/45/492424745.db2.gz LXTSJZMVMWMXCM-YYAJDYIMSA-N 2 1 350.507 0.810 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621844885 492425145 /nfs/dbraw/zinc/42/51/45/492425145.db2.gz YTJKJMKYTVOFEA-RXVVDRJESA-N 2 1 370.497 0.891 20 0 FCADMP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(C)n1 ZINC000643233445 492433460 /nfs/dbraw/zinc/43/34/60/492433460.db2.gz ARCDTFSKWLDDPV-GOSISDBHSA-N 2 1 361.490 0.904 20 0 FCADMP Cc1cc(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc(C)n1 ZINC000643233445 492433466 /nfs/dbraw/zinc/43/34/66/492433466.db2.gz ARCDTFSKWLDDPV-GOSISDBHSA-N 2 1 361.490 0.904 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026535 492442782 /nfs/dbraw/zinc/44/27/82/492442782.db2.gz MDKQKNLZXNNEKI-LPHOPBHVSA-N 2 1 350.507 0.905 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[N@@H+]1CCOC ZINC000622029516 492444159 /nfs/dbraw/zinc/44/41/59/492444159.db2.gz HMBDXIUGWMFIHY-FRQCXROJSA-N 2 1 366.506 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[N@H+]1CCOC ZINC000622029516 492444161 /nfs/dbraw/zinc/44/41/61/492444161.db2.gz HMBDXIUGWMFIHY-FRQCXROJSA-N 2 1 366.506 0.286 20 0 FCADMP O=C(CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000655446824 492444294 /nfs/dbraw/zinc/44/42/94/492444294.db2.gz CAYYCEPUSPVYBC-WIYYLYMNSA-N 2 1 370.497 0.837 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000622031975 492446072 /nfs/dbraw/zinc/44/60/72/492446072.db2.gz XDWWYTNQUPDRBR-WFXMLNOXSA-N 2 1 370.497 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000622031975 492446075 /nfs/dbraw/zinc/44/60/75/492446075.db2.gz XDWWYTNQUPDRBR-WFXMLNOXSA-N 2 1 370.497 0.712 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556363 492455496 /nfs/dbraw/zinc/45/54/96/492455496.db2.gz MADAKBSDRYUGQM-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556363 492455499 /nfs/dbraw/zinc/45/54/99/492455499.db2.gz MADAKBSDRYUGQM-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556363 492455503 /nfs/dbraw/zinc/45/55/03/492455503.db2.gz MADAKBSDRYUGQM-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000635489868 492457782 /nfs/dbraw/zinc/45/77/82/492457782.db2.gz ZHRMUVHPMBBPKI-GOSISDBHSA-N 2 1 360.502 0.865 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000635489868 492457784 /nfs/dbraw/zinc/45/77/84/492457784.db2.gz ZHRMUVHPMBBPKI-GOSISDBHSA-N 2 1 360.502 0.865 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000635489868 492457787 /nfs/dbraw/zinc/45/77/87/492457787.db2.gz ZHRMUVHPMBBPKI-GOSISDBHSA-N 2 1 360.502 0.865 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000628103548 492463592 /nfs/dbraw/zinc/46/35/92/492463592.db2.gz IXDWZXFZQVCGCM-SFHVURJKSA-N 2 1 374.485 0.794 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000628104715 492465504 /nfs/dbraw/zinc/46/55/04/492465504.db2.gz BLDMRVXTDLDMIF-SFHVURJKSA-N 2 1 374.485 0.446 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648887080 492470422 /nfs/dbraw/zinc/47/04/22/492470422.db2.gz LZLWTYIRGIESSO-MUIFIZLQSA-N 2 1 350.507 0.726 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000648887080 492470425 /nfs/dbraw/zinc/47/04/25/492470425.db2.gz LZLWTYIRGIESSO-MUIFIZLQSA-N 2 1 350.507 0.726 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000648887080 492470429 /nfs/dbraw/zinc/47/04/29/492470429.db2.gz LZLWTYIRGIESSO-MUIFIZLQSA-N 2 1 350.507 0.726 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635557994 492472522 /nfs/dbraw/zinc/47/25/22/492472522.db2.gz GJVHIMXRLNYGQE-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000635606908 492480429 /nfs/dbraw/zinc/48/04/29/492480429.db2.gz WMWKYZIFKHXKEX-UHFFFAOYSA-N 2 1 361.450 0.520 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000643503477 492483981 /nfs/dbraw/zinc/48/39/81/492483981.db2.gz DKHLBUWGRXATCV-HOTGVXAUSA-N 2 1 350.507 0.907 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643513180 492486150 /nfs/dbraw/zinc/48/61/50/492486150.db2.gz BKNXSSIPOMZBMA-KXBFYZLASA-N 2 1 359.474 0.821 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H]1CC ZINC000643512769 492486729 /nfs/dbraw/zinc/48/67/29/492486729.db2.gz YUHKXGAKEHXWSB-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H]1CC ZINC000643512769 492486732 /nfs/dbraw/zinc/48/67/32/492486732.db2.gz YUHKXGAKEHXWSB-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531827 492491347 /nfs/dbraw/zinc/49/13/47/492491347.db2.gz OXFUIBRWLBMHFA-CGTJXYLNSA-N 2 1 358.486 0.915 20 0 FCADMP [NH3+]C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(F)(F)F ZINC000655931504 492491986 /nfs/dbraw/zinc/49/19/86/492491986.db2.gz KIWLODFDTBHZCV-LLVKDONJSA-N 2 1 354.373 0.057 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643549768 492496636 /nfs/dbraw/zinc/49/66/36/492496636.db2.gz NVZNFQVKQVMFQZ-BURFUSLBSA-N 2 1 360.502 0.672 20 0 FCADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000635780203 492504813 /nfs/dbraw/zinc/50/48/13/492504813.db2.gz UBTNHEINKJJJBC-KRWDZBQOSA-N 2 1 351.491 0.689 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])Cc2ccccc2)C1 ZINC000649280801 492520121 /nfs/dbraw/zinc/52/01/21/492520121.db2.gz MJUGQHLWJPGDHG-IBGZPJMESA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656028445 492521130 /nfs/dbraw/zinc/52/11/30/492521130.db2.gz LFCMMPJSRIRRIM-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656028693 492521534 /nfs/dbraw/zinc/52/15/34/492521534.db2.gz OTGUKGLILHLKQA-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656028444 492521730 /nfs/dbraw/zinc/52/17/30/492521730.db2.gz LFCMMPJSRIRRIM-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000628584641 492524772 /nfs/dbraw/zinc/52/47/72/492524772.db2.gz MJJAOVOKKBWNBX-IRXDYDNUSA-N 2 1 359.474 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000628584641 492524776 /nfs/dbraw/zinc/52/47/76/492524776.db2.gz MJJAOVOKKBWNBX-IRXDYDNUSA-N 2 1 359.474 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000628584641 492524781 /nfs/dbraw/zinc/52/47/81/492524781.db2.gz MJJAOVOKKBWNBX-IRXDYDNUSA-N 2 1 359.474 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000628584641 492524784 /nfs/dbraw/zinc/52/47/84/492524784.db2.gz MJJAOVOKKBWNBX-IRXDYDNUSA-N 2 1 359.474 0.502 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000649310616 492528629 /nfs/dbraw/zinc/52/86/29/492528629.db2.gz ZAEHJQCECGCGRG-OAHLLOKOSA-N 2 1 359.536 0.924 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000649310616 492528634 /nfs/dbraw/zinc/52/86/34/492528634.db2.gz ZAEHJQCECGCGRG-OAHLLOKOSA-N 2 1 359.536 0.924 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315707 492530240 /nfs/dbraw/zinc/53/02/40/492530240.db2.gz CVERYRYLMXDELH-HZPDHXFCSA-N 2 1 360.458 0.558 20 0 FCADMP Cc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nnn1C1CC[NH2+]CC1 ZINC000649320937 492532082 /nfs/dbraw/zinc/53/20/82/492532082.db2.gz GGNLKEPNPUAOJV-JKSUJKDBSA-N 2 1 362.478 0.182 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649335527 492537180 /nfs/dbraw/zinc/53/71/80/492537180.db2.gz IJRSMBMKFSZJGM-HUUCEWRRSA-N 2 1 367.444 0.953 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334016 492537391 /nfs/dbraw/zinc/53/73/91/492537391.db2.gz BUJJQWRNZYLUPU-INIZCTEOSA-N 2 1 360.506 0.247 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334016 492537394 /nfs/dbraw/zinc/53/73/94/492537394.db2.gz BUJJQWRNZYLUPU-INIZCTEOSA-N 2 1 360.506 0.247 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000649357783 492547095 /nfs/dbraw/zinc/54/70/95/492547095.db2.gz JZUCXPCROOJFLN-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649409577 492551423 /nfs/dbraw/zinc/55/14/23/492551423.db2.gz PDFNKIZEDFTGIT-UHFFFAOYSA-N 3 1 373.545 0.736 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649409577 492551426 /nfs/dbraw/zinc/55/14/26/492551426.db2.gz PDFNKIZEDFTGIT-UHFFFAOYSA-N 3 1 373.545 0.736 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000649473521 492556264 /nfs/dbraw/zinc/55/62/64/492556264.db2.gz YBKALPSYNVWEQK-QEOTZNIISA-N 2 1 368.522 0.325 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656261189 492567678 /nfs/dbraw/zinc/56/76/78/492567678.db2.gz DZQGQTGRVPGBJM-HYVNUMGLSA-N 2 1 359.536 0.937 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000656297461 492575911 /nfs/dbraw/zinc/57/59/11/492575911.db2.gz CDDNCQXPFKDTRT-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289639 492576858 /nfs/dbraw/zinc/57/68/58/492576858.db2.gz XQRBOJOROJLBPW-SJORKVTESA-N 2 1 351.491 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000656300260 492577060 /nfs/dbraw/zinc/57/70/60/492577060.db2.gz MZYRDHDUGZXHCX-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656300830 492577397 /nfs/dbraw/zinc/57/73/97/492577397.db2.gz DLUIRNBYJKAETE-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636315180 492579953 /nfs/dbraw/zinc/57/99/53/492579953.db2.gz JGBLFDBXXPKWNS-GOSISDBHSA-N 2 1 358.486 0.741 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636315180 492579956 /nfs/dbraw/zinc/57/99/56/492579956.db2.gz JGBLFDBXXPKWNS-GOSISDBHSA-N 2 1 358.486 0.741 20 0 FCADMP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649761974 492580662 /nfs/dbraw/zinc/58/06/62/492580662.db2.gz RZBZOUPDUKTQDG-RTBURBONSA-N 2 1 361.486 0.980 20 0 FCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649761974 492580665 /nfs/dbraw/zinc/58/06/65/492580665.db2.gz RZBZOUPDUKTQDG-RTBURBONSA-N 2 1 361.486 0.980 20 0 FCADMP C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728586 492588565 /nfs/dbraw/zinc/58/85/65/492588565.db2.gz RODPAWLAFOOMDI-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000623728586 492588567 /nfs/dbraw/zinc/58/85/67/492588567.db2.gz RODPAWLAFOOMDI-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000623728586 492588569 /nfs/dbraw/zinc/58/85/69/492588569.db2.gz RODPAWLAFOOMDI-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)[NH+](C)C)c1 ZINC000636473403 492595025 /nfs/dbraw/zinc/59/50/25/492595025.db2.gz ZOSBGQBVUWYXFZ-NVXWUHKLSA-N 2 1 350.463 0.664 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359331 492612975 /nfs/dbraw/zinc/61/29/75/492612975.db2.gz OUEBTLFRKWJBCN-QZTJIDSGSA-N 2 1 371.485 0.863 20 0 FCADMP c1nnc2ccc(N3CC[C@@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)C3)nn12 ZINC000624117744 492621925 /nfs/dbraw/zinc/62/19/25/492621925.db2.gz VTENEGLDBWFFSF-IAGOWNOFSA-N 2 1 371.489 0.936 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2C1 ZINC000650399927 492638582 /nfs/dbraw/zinc/63/85/82/492638582.db2.gz GKJIDUKDTKHNBT-OPQOLIRYSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629569518 492647762 /nfs/dbraw/zinc/64/77/62/492647762.db2.gz XOWSEIOXQJQIAC-KRWDZBQOSA-N 2 1 354.539 0.659 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668682 492654693 /nfs/dbraw/zinc/65/46/93/492654693.db2.gz PLZSUIBKSAORCY-DOTOQJQBSA-N 2 1 369.469 0.921 20 0 FCADMP COc1cc(C[NH2+]CC2([NH3+])CCOCC2)cc(Cl)c1OCC(N)=O ZINC000629653452 492661632 /nfs/dbraw/zinc/66/16/32/492661632.db2.gz HPNIFEVOJKGRPC-UHFFFAOYSA-N 2 1 357.838 0.810 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000644226690 492672748 /nfs/dbraw/zinc/67/27/48/492672748.db2.gz VXCXZTZZYQCFIH-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225678 492672756 /nfs/dbraw/zinc/67/27/56/492672756.db2.gz HLNBESPZIIRFFN-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629815306 492686304 /nfs/dbraw/zinc/68/63/04/492686304.db2.gz NSDWAUAITPZSDH-NXHRZFHOSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](O)C2)C1 ZINC000644276162 492688543 /nfs/dbraw/zinc/68/85/43/492688543.db2.gz XGCZJLYZQQTERS-MLHJIOFPSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)C1 ZINC000644276162 492688544 /nfs/dbraw/zinc/68/85/44/492688544.db2.gz XGCZJLYZQQTERS-MLHJIOFPSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)C1 ZINC000644276162 492688545 /nfs/dbraw/zinc/68/85/45/492688545.db2.gz XGCZJLYZQQTERS-MLHJIOFPSA-N 2 1 368.522 0.630 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636795559 492696082 /nfs/dbraw/zinc/69/60/82/492696082.db2.gz MMZJDVJBOARRHR-GVDBMIGSSA-N 2 1 356.511 0.489 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(C)n1C ZINC000624943740 492700954 /nfs/dbraw/zinc/70/09/54/492700954.db2.gz QRAVLQZWZPJUBP-OAHLLOKOSA-N 2 1 357.524 0.765 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000651348009 492744796 /nfs/dbraw/zinc/74/47/96/492744796.db2.gz BVZVDSDBFUANKA-DLBZAZTESA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000651348009 492744798 /nfs/dbraw/zinc/74/47/98/492744798.db2.gz BVZVDSDBFUANKA-DLBZAZTESA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000651348012 492744989 /nfs/dbraw/zinc/74/49/89/492744989.db2.gz BVZVDSDBFUANKA-SJORKVTESA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000651348012 492744994 /nfs/dbraw/zinc/74/49/94/492744994.db2.gz BVZVDSDBFUANKA-SJORKVTESA-N 2 1 361.490 0.277 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1nccn1C ZINC000625317755 492756055 /nfs/dbraw/zinc/75/60/55/492756055.db2.gz KEYHLQJXQWMUDA-BPUTZDHNSA-N 2 1 361.446 0.015 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630879728 492781190 /nfs/dbraw/zinc/78/11/90/492781190.db2.gz MXETWEZUWCUKOB-GOSISDBHSA-N 3 1 364.538 0.933 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000644539416 492783473 /nfs/dbraw/zinc/78/34/73/492783473.db2.gz IQYLUERTQZJXNF-HNNXBMFYSA-N 2 1 353.488 0.637 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000644562714 492786133 /nfs/dbraw/zinc/78/61/33/492786133.db2.gz LXPNLJPAYRHACD-QRVBRYPASA-N 2 1 356.555 0.464 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657738134 492786878 /nfs/dbraw/zinc/78/68/78/492786878.db2.gz DNIWNEZNWGQINQ-UHFFFAOYSA-N 2 1 359.474 0.530 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000637375603 492814749 /nfs/dbraw/zinc/81/47/49/492814749.db2.gz OBLQEHRSQWEFTQ-IRXDYDNUSA-N 2 1 365.522 0.700 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cnc(N)n1 ZINC000631658740 492830138 /nfs/dbraw/zinc/83/01/38/492830138.db2.gz NAGIRULSMPAKQD-UHFFFAOYSA-N 2 1 363.510 0.515 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846018 492860812 /nfs/dbraw/zinc/86/08/12/492860812.db2.gz QMECVGPMIGRUCW-GOEBONIOSA-N 2 1 356.430 0.798 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846018 492860817 /nfs/dbraw/zinc/86/08/17/492860817.db2.gz QMECVGPMIGRUCW-GOEBONIOSA-N 2 1 356.430 0.798 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631853322 492863615 /nfs/dbraw/zinc/86/36/15/492863615.db2.gz UWTSHIOYJRGONR-FFZOFVMBSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631853321 492863967 /nfs/dbraw/zinc/86/39/67/492863967.db2.gz UWTSHIOYJRGONR-AHRSYUTCSA-N 2 1 372.513 0.960 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813456 492868963 /nfs/dbraw/zinc/86/89/63/492868963.db2.gz AGCQIAICGVWOIS-IBGZPJMESA-N 2 1 372.513 0.831 20 0 FCADMP CC[NH2+][C@@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000638065446 492899855 /nfs/dbraw/zinc/89/98/55/492899855.db2.gz UGGSXEVKSPOQMV-HNNXBMFYSA-N 2 1 362.474 0.962 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638077773 492901558 /nfs/dbraw/zinc/90/15/58/492901558.db2.gz ARDDHUJISQYNFX-PXNSSMCTSA-N 2 1 374.485 0.709 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638091838 492903337 /nfs/dbraw/zinc/90/33/37/492903337.db2.gz CUFCONBPFYJRIR-INIZCTEOSA-N 2 1 359.474 0.228 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652362743 492915969 /nfs/dbraw/zinc/91/59/69/492915969.db2.gz NUIWHKVMSVQKOU-TVFCKZIOSA-N 2 1 366.506 0.474 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632084407 492925700 /nfs/dbraw/zinc/92/57/00/492925700.db2.gz BHBMZEPGVWHWAE-FGTMMUONSA-N 2 1 374.595 0.910 20 0 FCADMP CC[NH2+][C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000638274145 492926893 /nfs/dbraw/zinc/92/68/93/492926893.db2.gz OVLRMYFNNSUSHE-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349561 492939666 /nfs/dbraw/zinc/93/96/66/492939666.db2.gz QCSMXDMBRSLNPR-JKSUJKDBSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000632196962 492948815 /nfs/dbraw/zinc/94/88/15/492948815.db2.gz FMTOVZPAJHFSEA-KRWDZBQOSA-N 2 1 367.515 0.767 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000632196962 492948818 /nfs/dbraw/zinc/94/88/18/492948818.db2.gz FMTOVZPAJHFSEA-KRWDZBQOSA-N 2 1 367.515 0.767 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ccc(S(N)(=O)=O)cc1 ZINC000638480833 492952683 /nfs/dbraw/zinc/95/26/83/492952683.db2.gz BBNPOKLVAHBURE-MRXNPFEDSA-N 2 1 368.503 0.366 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638490854 492956264 /nfs/dbraw/zinc/95/62/64/492956264.db2.gz BCMNUFBFEKRIDD-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000638558726 492960514 /nfs/dbraw/zinc/96/05/14/492960514.db2.gz OJMXHSOXZIHZCI-KGLIPLIRSA-N 2 1 350.429 1.000 20 0 FCADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000645694495 492961766 /nfs/dbraw/zinc/96/17/66/492961766.db2.gz TUZADQDIYIGSMO-GOSISDBHSA-N 2 1 354.414 0.760 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000645694495 492961769 /nfs/dbraw/zinc/96/17/69/492961769.db2.gz TUZADQDIYIGSMO-GOSISDBHSA-N 2 1 354.414 0.760 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638753284 492976092 /nfs/dbraw/zinc/97/60/92/492976092.db2.gz UKUPBUUNTMFZTR-QZTJIDSGSA-N 2 1 370.457 0.330 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638753284 492976098 /nfs/dbraw/zinc/97/60/98/492976098.db2.gz UKUPBUUNTMFZTR-QZTJIDSGSA-N 2 1 370.457 0.330 20 0 FCADMP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[N@H+](C2CCC2)C1 ZINC000632361150 492982881 /nfs/dbraw/zinc/98/28/81/492982881.db2.gz QDLPNIPBBBKAMU-KRWDZBQOSA-N 2 1 372.579 0.760 20 0 FCADMP C[C@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638905400 492985922 /nfs/dbraw/zinc/98/59/22/492985922.db2.gz OLHWJCBTKGNXSI-RDTXWAMCSA-N 2 1 354.458 0.957 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)C1 ZINC000652677317 492986331 /nfs/dbraw/zinc/98/63/31/492986331.db2.gz XRPQTSHSPZDFDY-IVSAIRAKSA-N 2 1 364.490 0.084 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684082 492989684 /nfs/dbraw/zinc/98/96/84/492989684.db2.gz FJJOXYNXPZJXKF-UXLLHSPISA-N 2 1 366.506 0.332 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652697709 492993454 /nfs/dbraw/zinc/99/34/54/492993454.db2.gz LGRATGVSECBODE-SFHVURJKSA-N 2 1 360.502 0.876 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652697709 492993458 /nfs/dbraw/zinc/99/34/58/492993458.db2.gz LGRATGVSECBODE-SFHVURJKSA-N 2 1 360.502 0.876 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652697708 492993517 /nfs/dbraw/zinc/99/35/17/492993517.db2.gz LGRATGVSECBODE-GOSISDBHSA-N 2 1 360.502 0.876 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652697708 492993521 /nfs/dbraw/zinc/99/35/21/492993521.db2.gz LGRATGVSECBODE-GOSISDBHSA-N 2 1 360.502 0.876 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009475 493000405 /nfs/dbraw/zinc/00/04/05/493000405.db2.gz MDSDRMPXTDVPRX-PZJWPPBQSA-N 2 1 372.513 0.440 20 0 FCADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646009627 493001531 /nfs/dbraw/zinc/00/15/31/493001531.db2.gz YCLMNHIBKHYBPN-KURKYZTESA-N 2 1 352.523 0.535 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736240 493012159 /nfs/dbraw/zinc/01/21/59/493012159.db2.gz BLKVNUWFPWODDA-YTQUADARSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736240 493012164 /nfs/dbraw/zinc/01/21/64/493012164.db2.gz BLKVNUWFPWODDA-YTQUADARSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736237 493012488 /nfs/dbraw/zinc/01/24/88/493012488.db2.gz BLKVNUWFPWODDA-QXAKKESOSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736237 493012490 /nfs/dbraw/zinc/01/24/90/493012490.db2.gz BLKVNUWFPWODDA-QXAKKESOSA-N 2 1 372.513 0.958 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](C)CC1 ZINC000646107802 493012685 /nfs/dbraw/zinc/01/26/85/493012685.db2.gz BUTMWEJZDQTGIU-QZTJIDSGSA-N 2 1 362.522 0.809 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105721 493013233 /nfs/dbraw/zinc/01/32/33/493013233.db2.gz FCSSWIXLYXLXBM-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000632539431 493024964 /nfs/dbraw/zinc/02/49/64/493024964.db2.gz HNHJEKAVZVNPQF-IRXDYDNUSA-N 2 1 358.552 0.560 20 0 FCADMP O[C@@]1(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633911 493025403 /nfs/dbraw/zinc/02/54/03/493025403.db2.gz AYHXGWPHXVKWKY-UXHICEINSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633911 493025409 /nfs/dbraw/zinc/02/54/09/493025409.db2.gz AYHXGWPHXVKWKY-UXHICEINSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[NH+]2CCC[C@](O)(Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639633911 493025413 /nfs/dbraw/zinc/02/54/13/493025413.db2.gz AYHXGWPHXVKWKY-UXHICEINSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[NH+]2CCC[C@](O)(Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639633911 493025418 /nfs/dbraw/zinc/02/54/18/493025418.db2.gz AYHXGWPHXVKWKY-UXHICEINSA-N 2 1 371.485 0.742 20 0 FCADMP O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888654 493035035 /nfs/dbraw/zinc/03/50/35/493035035.db2.gz PRBGUQZXFGEVPU-HXUWFJFHSA-N 2 1 373.497 0.782 20 0 FCADMP O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888654 493035041 /nfs/dbraw/zinc/03/50/41/493035041.db2.gz PRBGUQZXFGEVPU-HXUWFJFHSA-N 2 1 373.497 0.782 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646415150 493046291 /nfs/dbraw/zinc/04/62/91/493046291.db2.gz DGHSGXQIPPYVBP-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646415150 493046296 /nfs/dbraw/zinc/04/62/96/493046296.db2.gz DGHSGXQIPPYVBP-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP COC[C@@](C)(CO)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000639949089 493070450 /nfs/dbraw/zinc/07/04/50/493070450.db2.gz IHWJDVIZNQNFSN-QGZVFWFLSA-N 2 1 357.495 0.125 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653108242 493071580 /nfs/dbraw/zinc/07/15/80/493071580.db2.gz OVAZRZOXYLVCSW-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653108242 493071583 /nfs/dbraw/zinc/07/15/83/493071583.db2.gz OVAZRZOXYLVCSW-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653125092 493075929 /nfs/dbraw/zinc/07/59/29/493075929.db2.gz SKVBZHKWFLWQAL-PXNSSMCTSA-N 2 1 358.486 0.999 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000653356871 493099594 /nfs/dbraw/zinc/09/95/94/493099594.db2.gz AENVZNQREVZRNQ-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000633040056 493109079 /nfs/dbraw/zinc/10/90/79/493109079.db2.gz VZKAPKBWSIDSOY-GOEBONIOSA-N 2 1 360.458 0.448 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259003 493120897 /nfs/dbraw/zinc/12/08/97/493120897.db2.gz KOARIVQYBNKJFM-MSOLQXFVSA-N 2 1 373.501 0.261 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000633099009 493124369 /nfs/dbraw/zinc/12/43/69/493124369.db2.gz PAOQNUSQXKRHEM-SZMVWBNQSA-N 2 1 356.470 0.682 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117709 493133327 /nfs/dbraw/zinc/13/33/27/493133327.db2.gz FPQZIBCRMSTKAF-LEUOFYLZSA-N 2 1 356.470 0.667 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647025686 493148278 /nfs/dbraw/zinc/14/82/78/493148278.db2.gz DZFNITJVPLRAJC-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCCC1 ZINC000659100364 493152338 /nfs/dbraw/zinc/15/23/38/493152338.db2.gz REDJUNMLRKDPFI-UHFFFAOYSA-N 2 1 374.485 0.888 20 0 FCADMP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647052332 493153586 /nfs/dbraw/zinc/15/35/86/493153586.db2.gz XWGJNYNZQPFOCU-CVEARBPZSA-N 2 1 359.474 0.719 20 0 FCADMP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)[C@H]1CCN(C)C1 ZINC000647052332 493153589 /nfs/dbraw/zinc/15/35/89/493153589.db2.gz XWGJNYNZQPFOCU-CVEARBPZSA-N 2 1 359.474 0.719 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627339116 493161209 /nfs/dbraw/zinc/16/12/09/493161209.db2.gz ZJPMOKCYBPTAND-QGZVFWFLSA-N 2 1 362.474 0.248 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000627339367 493161262 /nfs/dbraw/zinc/16/12/62/493161262.db2.gz GMUKDLAKHKPPSR-CYBMUJFWSA-N 2 1 368.503 0.045 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2sccc2C1 ZINC000627339367 493161264 /nfs/dbraw/zinc/16/12/64/493161264.db2.gz GMUKDLAKHKPPSR-CYBMUJFWSA-N 2 1 368.503 0.045 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627345996 493166614 /nfs/dbraw/zinc/16/66/14/493166614.db2.gz BHQMGUHQOHLOSQ-QWHCGFSZSA-N 2 1 366.428 0.820 20 0 FCADMP [NH3+]Cc1cnn(Cc2cn(Cc3ccc(C[NH+]4CCOCC4)cc3)nn2)c1 ZINC000641181457 493175985 /nfs/dbraw/zinc/17/59/85/493175985.db2.gz ZXSOIUADBUNGFU-UHFFFAOYSA-N 2 1 367.457 0.862 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627365080 493180548 /nfs/dbraw/zinc/18/05/48/493180548.db2.gz FFQWCWVMALPWID-DGCLKSJQSA-N 2 1 364.412 0.573 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641215109 493181502 /nfs/dbraw/zinc/18/15/02/493181502.db2.gz MZWWLJOZUKLUOB-HXUWFJFHSA-N 2 1 372.517 0.737 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641215109 493181510 /nfs/dbraw/zinc/18/15/10/493181510.db2.gz MZWWLJOZUKLUOB-HXUWFJFHSA-N 3 1 372.517 0.737 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641215109 493181516 /nfs/dbraw/zinc/18/15/16/493181516.db2.gz MZWWLJOZUKLUOB-HXUWFJFHSA-N 3 1 372.517 0.737 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659451498 493181992 /nfs/dbraw/zinc/18/19/92/493181992.db2.gz FMJKIKPXFDTUTD-RHSMWYFYSA-N 2 1 361.490 0.791 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641219882 493183155 /nfs/dbraw/zinc/18/31/55/493183155.db2.gz KCHLWQFHZKJOQT-RTBURBONSA-N 2 1 359.474 0.728 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641219882 493183158 /nfs/dbraw/zinc/18/31/58/493183158.db2.gz KCHLWQFHZKJOQT-RTBURBONSA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000641219882 493183164 /nfs/dbraw/zinc/18/31/64/493183164.db2.gz KCHLWQFHZKJOQT-RTBURBONSA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000641219882 493183169 /nfs/dbraw/zinc/18/31/69/493183169.db2.gz KCHLWQFHZKJOQT-RTBURBONSA-N 2 1 359.474 0.728 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220172 493183630 /nfs/dbraw/zinc/18/36/30/493183630.db2.gz ABQCPZQZWRZJLV-ZBFHGGJFSA-N 2 1 353.854 0.919 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220171 493183974 /nfs/dbraw/zinc/18/39/74/493183974.db2.gz ABQCPZQZWRZJLV-HOCLYGCPSA-N 2 1 353.854 0.919 20 0 FCADMP COCC[C@H]([NH3+])Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230803 493185133 /nfs/dbraw/zinc/18/51/33/493185133.db2.gz UUAYYTMIGFGBQA-HKUYNNGSSA-N 2 1 359.474 0.821 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000659470805 493188804 /nfs/dbraw/zinc/18/88/04/493188804.db2.gz HKHRJJWIAWRXPC-KGLIPLIRSA-N 2 1 364.450 0.084 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1C ZINC000672525173 493190840 /nfs/dbraw/zinc/19/08/40/493190840.db2.gz NYVZDOGARIISFL-AWEZNQCLSA-N 2 1 362.478 0.189 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000672525064 493191295 /nfs/dbraw/zinc/19/12/95/493191295.db2.gz CMBZIDGLKZWNAA-ZDUSSCGKSA-N 2 1 350.467 0.093 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539572 493209162 /nfs/dbraw/zinc/20/91/62/493209162.db2.gz RKJRWKYOTHIMAD-STQMWFEESA-N 2 1 365.444 0.995 20 0 FCADMP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000666670332 493213151 /nfs/dbraw/zinc/21/31/51/493213151.db2.gz IRPPVVNDKDPEQI-QGZVFWFLSA-N 2 1 360.458 0.797 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC000659611965 493221057 /nfs/dbraw/zinc/22/10/57/493221057.db2.gz UQNBBNGUTYVHPS-BZUAXINKSA-N 2 1 352.479 0.389 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000659616518 493221136 /nfs/dbraw/zinc/22/11/36/493221136.db2.gz LPSSJVMEOHLVCP-AGYKMIKPSA-N 2 1 358.486 0.921 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630217 493223885 /nfs/dbraw/zinc/22/38/85/493223885.db2.gz GXOQQHRKBNGBQD-DOMZBBRYSA-N 2 1 360.462 0.799 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000666770452 493224238 /nfs/dbraw/zinc/22/42/38/493224238.db2.gz APVUZFUCYJTJKC-MRXNPFEDSA-N 2 1 358.442 0.708 20 0 FCADMP CCC[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CCOC ZINC000659631122 493224954 /nfs/dbraw/zinc/22/49/54/493224954.db2.gz RKYYDJQDDHKBNB-AWEZNQCLSA-N 2 1 366.466 0.283 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000666796331 493227947 /nfs/dbraw/zinc/22/79/47/493227947.db2.gz WSKUJJXBTNBDLF-QGZVFWFLSA-N 2 1 373.501 0.583 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672690920 493232651 /nfs/dbraw/zinc/23/26/51/493232651.db2.gz KAZOPQMSLDIRTE-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000672693429 493233517 /nfs/dbraw/zinc/23/35/17/493233517.db2.gz WKKFGYWFOJYYFL-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2N)C1 ZINC000666910970 493236298 /nfs/dbraw/zinc/23/62/98/493236298.db2.gz LCMWIUPNMRDDDF-GJZGRUSLSA-N 2 1 373.501 0.632 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2N)C1 ZINC000666910969 493236567 /nfs/dbraw/zinc/23/65/67/493236567.db2.gz LCMWIUPNMRDDDF-GASCZTMLSA-N 2 1 373.501 0.632 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2N)C1 ZINC000666910969 493236572 /nfs/dbraw/zinc/23/65/72/493236572.db2.gz LCMWIUPNMRDDDF-GASCZTMLSA-N 2 1 373.501 0.632 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2N)C1 ZINC000666910969 493236573 /nfs/dbraw/zinc/23/65/73/493236573.db2.gz LCMWIUPNMRDDDF-GASCZTMLSA-N 2 1 373.501 0.632 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672722984 493239891 /nfs/dbraw/zinc/23/98/91/493239891.db2.gz MSRQMBYXZFDGQV-SOUVJXGZSA-N 2 1 356.511 0.304 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672722984 493239893 /nfs/dbraw/zinc/23/98/93/493239893.db2.gz MSRQMBYXZFDGQV-SOUVJXGZSA-N 2 1 356.511 0.304 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000666976899 493244288 /nfs/dbraw/zinc/24/42/88/493244288.db2.gz RWGMHJAHNQSNEP-MRXNPFEDSA-N 2 1 354.495 0.338 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000659676175 493246588 /nfs/dbraw/zinc/24/65/88/493246588.db2.gz FPSGSOZCNPLYEE-MRXNPFEDSA-N 2 1 362.474 0.065 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000659684735 493251860 /nfs/dbraw/zinc/25/18/60/493251860.db2.gz KNVVDCUHSOUTOB-INIZCTEOSA-N 2 1 368.522 0.627 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672844858 493257915 /nfs/dbraw/zinc/25/79/15/493257915.db2.gz BRRPSBZXQIAKKL-UHFFFAOYSA-N 2 1 370.538 0.974 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659699173 493259952 /nfs/dbraw/zinc/25/99/52/493259952.db2.gz QWVACRFRLKSUHH-SJORKVTESA-N 2 1 367.538 0.106 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705940 493264373 /nfs/dbraw/zinc/26/43/73/493264373.db2.gz AATABYQLWQPMLW-IRXDYDNUSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659710397 493267248 /nfs/dbraw/zinc/26/72/48/493267248.db2.gz RCFHOYLAWGXYTP-KURKYZTESA-N 2 1 362.518 0.968 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711609 493267656 /nfs/dbraw/zinc/26/76/56/493267656.db2.gz BJYZTBWIIGECMB-GOSISDBHSA-N 2 1 358.486 0.630 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000659735035 493278802 /nfs/dbraw/zinc/27/88/02/493278802.db2.gz CITSUUIHWWZHSS-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000659738030 493279587 /nfs/dbraw/zinc/27/95/87/493279587.db2.gz YARHFAGVVKMMAY-SQWLQELKSA-N 2 1 352.479 0.084 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659744532 493282643 /nfs/dbraw/zinc/28/26/43/493282643.db2.gz XIRDFJDGRYXRGM-UHFFFAOYSA-N 2 1 370.497 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659744532 493282645 /nfs/dbraw/zinc/28/26/45/493282645.db2.gz XIRDFJDGRYXRGM-UHFFFAOYSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744189 493282678 /nfs/dbraw/zinc/28/26/78/493282678.db2.gz RBWVAGIMIPTXRR-WRHRYDJXSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744189 493282679 /nfs/dbraw/zinc/28/26/79/493282679.db2.gz RBWVAGIMIPTXRR-WRHRYDJXSA-N 2 1 370.497 0.976 20 0 FCADMP CCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000660028925 493316856 /nfs/dbraw/zinc/31/68/56/493316856.db2.gz YLBUCLZZKHXHLG-HNNXBMFYSA-N 2 1 357.524 0.824 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000660637875 493369043 /nfs/dbraw/zinc/36/90/43/493369043.db2.gz HHLLBSFMCYUVEI-IBGZPJMESA-N 2 1 374.533 0.839 20 0 FCADMP CN1CCN(C)[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660637875 493369044 /nfs/dbraw/zinc/36/90/44/493369044.db2.gz HHLLBSFMCYUVEI-IBGZPJMESA-N 2 1 374.533 0.839 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000668546450 493374135 /nfs/dbraw/zinc/37/41/35/493374135.db2.gz ZTZGRKSNHRGLTP-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668548019 493374147 /nfs/dbraw/zinc/37/41/47/493374147.db2.gz DFWIQYPRCJBVSH-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000668546448 493374171 /nfs/dbraw/zinc/37/41/71/493374171.db2.gz ZTZGRKSNHRGLTP-GVDBMIGSSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000668546264 493374333 /nfs/dbraw/zinc/37/43/33/493374333.db2.gz WVYNFSVZBIRKIN-ZWKOTPCHSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@@H]2CNc3ccnn3C2)cc[nH+]1 ZINC000684198823 493400891 /nfs/dbraw/zinc/40/08/91/493400891.db2.gz WYGKAKLVKGRLCD-ILXRZTDVSA-N 2 1 374.468 0.987 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C(N)=O)CC1 ZINC000674308754 493406355 /nfs/dbraw/zinc/40/63/55/493406355.db2.gz WGCWRIYDAGWGDU-UHFFFAOYSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668796012 493412494 /nfs/dbraw/zinc/41/24/94/493412494.db2.gz IWBFQPJVBVVVIU-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843691 493419460 /nfs/dbraw/zinc/41/94/60/493419460.db2.gz WISDRFUEIIKOTE-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000661271841 493422719 /nfs/dbraw/zinc/42/27/19/493422719.db2.gz BFOKOEPGIOIHOH-HOTGVXAUSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000661271841 493422721 /nfs/dbraw/zinc/42/27/21/493422721.db2.gz BFOKOEPGIOIHOH-HOTGVXAUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000668892181 493429344 /nfs/dbraw/zinc/42/93/44/493429344.db2.gz YMEZYVSOZIDWEO-GVDBMIGSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@H+]1C ZINC000668892656 493429606 /nfs/dbraw/zinc/42/96/06/493429606.db2.gz IXUIRTNGNWYFBV-GDBMZVCRSA-N 2 1 359.474 0.897 20 0 FCADMP O=C(C[NH+]1CCC(O)(CO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661618340 493452870 /nfs/dbraw/zinc/45/28/70/493452870.db2.gz SDRIFQPTHHGAML-UHFFFAOYSA-N 2 1 361.486 0.718 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000669028410 493454435 /nfs/dbraw/zinc/45/44/35/493454435.db2.gz BKLVRORPXLNDTN-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000669035300 493455658 /nfs/dbraw/zinc/45/56/58/493455658.db2.gz BYFRHXLSPGFRPK-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661675249 493456858 /nfs/dbraw/zinc/45/68/58/493456858.db2.gz YWSADYPTINHBSC-KRWDZBQOSA-N 2 1 359.474 0.671 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661974330 493480084 /nfs/dbraw/zinc/48/00/84/493480084.db2.gz WQKMPIHUZSJUHX-QZTJIDSGSA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661974331 493480175 /nfs/dbraw/zinc/48/01/75/493480175.db2.gz WQKMPIHUZSJUHX-ROUUACIJSA-N 2 1 368.522 0.896 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000685341137 493480209 /nfs/dbraw/zinc/48/02/09/493480209.db2.gz GNPQMVJVNFKIKL-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000685341137 493480210 /nfs/dbraw/zinc/48/02/10/493480210.db2.gz GNPQMVJVNFKIKL-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000685341137 493480211 /nfs/dbraw/zinc/48/02/11/493480211.db2.gz GNPQMVJVNFKIKL-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000685341137 493480213 /nfs/dbraw/zinc/48/02/13/493480213.db2.gz GNPQMVJVNFKIKL-WCVJEAGWSA-N 2 1 354.495 0.153 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685340456 493480261 /nfs/dbraw/zinc/48/02/61/493480261.db2.gz QPGGYLAKJSMCDH-ZBFHGGJFSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685340456 493480263 /nfs/dbraw/zinc/48/02/63/493480263.db2.gz QPGGYLAKJSMCDH-ZBFHGGJFSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000669251726 493483219 /nfs/dbraw/zinc/48/32/19/493483219.db2.gz YOKNOJRFVCUPDP-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000669251726 493483222 /nfs/dbraw/zinc/48/32/22/493483222.db2.gz YOKNOJRFVCUPDP-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000669251726 493483226 /nfs/dbraw/zinc/48/32/26/493483226.db2.gz YOKNOJRFVCUPDP-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000669251730 493483777 /nfs/dbraw/zinc/48/37/77/493483777.db2.gz YOKNOJRFVCUPDP-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251730 493483780 /nfs/dbraw/zinc/48/37/80/493483780.db2.gz YOKNOJRFVCUPDP-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251730 493483783 /nfs/dbraw/zinc/48/37/83/493483783.db2.gz YOKNOJRFVCUPDP-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669272740 493487749 /nfs/dbraw/zinc/48/77/49/493487749.db2.gz LOMPDQPJXGEYSE-DLBZAZTESA-N 2 1 365.522 0.572 20 0 FCADMP O=C(C[N@@H+]1CCCN(c2nccc(N3CCOCC3)n2)CC1)N1CCCC1 ZINC000675720511 493499033 /nfs/dbraw/zinc/49/90/33/493499033.db2.gz WQNKASOHHRULNA-UHFFFAOYSA-N 2 1 374.489 0.448 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000685520003 493501111 /nfs/dbraw/zinc/50/11/11/493501111.db2.gz BNBJIQSRSZYMHI-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662261999 493501899 /nfs/dbraw/zinc/50/18/99/493501899.db2.gz RIICISXRCHTRON-GOSISDBHSA-N 3 1 364.534 0.774 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000669473070 493505844 /nfs/dbraw/zinc/50/58/44/493505844.db2.gz BVODXQBLVCYFLG-ZWKOTPCHSA-N 2 1 373.501 0.594 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486544 493506168 /nfs/dbraw/zinc/50/61/68/493506168.db2.gz WGUUSAHWBPGZTK-DLBZAZTESA-N 2 1 353.511 0.210 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000669486487 493506239 /nfs/dbraw/zinc/50/62/39/493506239.db2.gz POQKIKHDUWZRCX-IXDOHACOSA-N 2 1 353.511 0.019 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000669486554 493506882 /nfs/dbraw/zinc/50/68/82/493506882.db2.gz YOIRNYNBEUTNPE-BZSNNMDCSA-N 2 1 367.538 0.457 20 0 FCADMP CS(=O)(=O)NCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327329 493506978 /nfs/dbraw/zinc/50/69/78/493506978.db2.gz NLKYSNDWRCUOGW-UHFFFAOYSA-N 2 1 355.508 0.605 20 0 FCADMP CS(=O)(=O)NCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327329 493506980 /nfs/dbraw/zinc/50/69/80/493506980.db2.gz NLKYSNDWRCUOGW-UHFFFAOYSA-N 2 1 355.508 0.605 20 0 FCADMP O=C1CCC(=O)N1CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338934 493507670 /nfs/dbraw/zinc/50/76/70/493507670.db2.gz XGGWODVPUGBGJV-AWEZNQCLSA-N 2 1 360.462 0.148 20 0 FCADMP C[C@H]1CN(CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338478 493507985 /nfs/dbraw/zinc/50/79/85/493507985.db2.gz SASAQAYKUXIJRN-DLBZAZTESA-N 2 1 362.522 0.719 20 0 FCADMP Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662351816 493509259 /nfs/dbraw/zinc/50/92/59/493509259.db2.gz PAXUOEMSEIBTNC-CABCVRRESA-N 2 1 350.467 0.208 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570336 493511632 /nfs/dbraw/zinc/51/16/32/493511632.db2.gz SPEOGACJWXNDGG-SJORKVTESA-N 2 1 364.515 0.892 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1F ZINC000662401929 493512928 /nfs/dbraw/zinc/51/29/28/493512928.db2.gz UTMRTVJLPRBYMX-MLGOLLRUSA-N 2 1 366.412 0.635 20 0 FCADMP [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1F ZINC000662401928 493513054 /nfs/dbraw/zinc/51/30/54/493513054.db2.gz UTMRTVJLPRBYMX-LRDDRELGSA-N 2 1 366.412 0.635 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994314 493516660 /nfs/dbraw/zinc/51/66/60/493516660.db2.gz ABNRCCWGNBFPEB-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462855 493517736 /nfs/dbraw/zinc/51/77/36/493517736.db2.gz OYERRJTVSVBEBT-IEBWSBKVSA-N 2 1 358.486 0.744 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cnn1C ZINC000662462276 493518001 /nfs/dbraw/zinc/51/80/01/493518001.db2.gz KJKBTPUWJBJZFF-YTQUADARSA-N 2 1 374.533 0.270 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000662465699 493518795 /nfs/dbraw/zinc/51/87/95/493518795.db2.gz YAJKKQBADIJGLN-CQSZACIVSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000662465699 493518796 /nfs/dbraw/zinc/51/87/96/493518796.db2.gz YAJKKQBADIJGLN-CQSZACIVSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@@H+]1C[C@H](C)O ZINC000662528991 493523527 /nfs/dbraw/zinc/52/35/27/493523527.db2.gz KULXNZCKIMPGND-NWANDNLSSA-N 2 1 350.467 0.038 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@H+]1C[C@H](C)O ZINC000662528991 493523529 /nfs/dbraw/zinc/52/35/29/493523529.db2.gz KULXNZCKIMPGND-NWANDNLSSA-N 2 1 350.467 0.038 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662674391 493531213 /nfs/dbraw/zinc/53/12/13/493531213.db2.gz CYCZEIKNZZCKSU-IAGOWNOFSA-N 2 1 360.458 0.054 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709232 493533908 /nfs/dbraw/zinc/53/39/08/493533908.db2.gz XWCJWORWLWCHKI-PVAVHDDUSA-N 2 1 360.458 0.686 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000662723310 493534791 /nfs/dbraw/zinc/53/47/91/493534791.db2.gz KRPWIXKMRWVOHG-CVEARBPZSA-N 2 1 364.494 0.776 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000662723310 493534793 /nfs/dbraw/zinc/53/47/93/493534793.db2.gz KRPWIXKMRWVOHG-CVEARBPZSA-N 2 1 364.494 0.776 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1C[C@H](C)O ZINC000662722721 493534972 /nfs/dbraw/zinc/53/49/72/493534972.db2.gz ICUXVACXKSAGKN-ARFHVFGLSA-N 2 1 364.494 0.510 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1C[C@H](C)O ZINC000662722721 493534973 /nfs/dbraw/zinc/53/49/73/493534973.db2.gz ICUXVACXKSAGKN-ARFHVFGLSA-N 2 1 364.494 0.510 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)oc1C ZINC000662729903 493535202 /nfs/dbraw/zinc/53/52/02/493535202.db2.gz PIJAUGBCIIRYRN-HOTGVXAUSA-N 2 1 350.463 0.983 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676250802 493535470 /nfs/dbraw/zinc/53/54/70/493535470.db2.gz JKXMQKFVTFUNOT-GVDBMIGSSA-N 2 1 356.511 0.848 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676250802 493535473 /nfs/dbraw/zinc/53/54/73/493535473.db2.gz JKXMQKFVTFUNOT-GVDBMIGSSA-N 2 1 356.511 0.848 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734560 493536080 /nfs/dbraw/zinc/53/60/80/493536080.db2.gz RGHDVRFZWLYLIC-DZGCQCFKSA-N 2 1 364.412 0.051 20 0 FCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662756486 493539073 /nfs/dbraw/zinc/53/90/73/493539073.db2.gz IFACFXTZMVWGHH-IAGOWNOFSA-N 2 1 350.438 0.428 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755537 493539194 /nfs/dbraw/zinc/53/91/94/493539194.db2.gz CYWZHUSVPFWKAC-CEXWTWQISA-N 2 1 360.502 0.845 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755537 493539196 /nfs/dbraw/zinc/53/91/96/493539196.db2.gz CYWZHUSVPFWKAC-CEXWTWQISA-N 2 1 360.502 0.845 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755537 493539198 /nfs/dbraw/zinc/53/91/98/493539198.db2.gz CYWZHUSVPFWKAC-CEXWTWQISA-N 2 1 360.502 0.845 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757739 493539528 /nfs/dbraw/zinc/53/95/28/493539528.db2.gz LZPQDPYRTXQDCY-RTBURBONSA-N 2 1 360.502 0.804 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662755498 493539578 /nfs/dbraw/zinc/53/95/78/493539578.db2.gz CFOJIKNKILHBEW-RTBURBONSA-N 2 1 360.502 0.804 20 0 FCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662758781 493540017 /nfs/dbraw/zinc/54/00/17/493540017.db2.gz TUJDNNADCIZWAU-RBUKOAKNSA-N 2 1 360.502 0.674 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)O1 ZINC000662779788 493541670 /nfs/dbraw/zinc/54/16/70/493541670.db2.gz NOBFQTDTFDYEFQ-XGXHKWSGSA-N 2 1 359.470 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)O1 ZINC000662779788 493541671 /nfs/dbraw/zinc/54/16/71/493541671.db2.gz NOBFQTDTFDYEFQ-XGXHKWSGSA-N 2 1 359.470 0.865 20 0 FCADMP COCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000662901340 493550049 /nfs/dbraw/zinc/55/00/49/493550049.db2.gz VNNRYYXEWLSIBY-QGZVFWFLSA-N 2 1 352.523 0.630 20 0 FCADMP COCC1(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000662901340 493550052 /nfs/dbraw/zinc/55/00/52/493550052.db2.gz VNNRYYXEWLSIBY-QGZVFWFLSA-N 2 1 352.523 0.630 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899143 493550180 /nfs/dbraw/zinc/55/01/80/493550180.db2.gz BXDLGWOZWFSPSQ-GOEBONIOSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899143 493550181 /nfs/dbraw/zinc/55/01/81/493550181.db2.gz BXDLGWOZWFSPSQ-GOEBONIOSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899145 493550189 /nfs/dbraw/zinc/55/01/89/493550189.db2.gz BXDLGWOZWFSPSQ-ZBFHGGJFSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899145 493550190 /nfs/dbraw/zinc/55/01/90/493550190.db2.gz BXDLGWOZWFSPSQ-ZBFHGGJFSA-N 2 1 360.506 0.727 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662921503 493553418 /nfs/dbraw/zinc/55/34/18/493553418.db2.gz BVZCFOVCOHVVEJ-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662935258 493556257 /nfs/dbraw/zinc/55/62/57/493556257.db2.gz YTFCUNRIKWYDMZ-KRWDZBQOSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)[C@H]2C1 ZINC000662944039 493558384 /nfs/dbraw/zinc/55/83/84/493558384.db2.gz HSOWQYLLYJUAOY-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000662950536 493559857 /nfs/dbraw/zinc/55/98/57/493559857.db2.gz MSFAXHMJMAPZPT-ZIFCJYIRSA-N 2 1 372.513 0.971 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662972179 493562593 /nfs/dbraw/zinc/56/25/93/493562593.db2.gz ANUSNDSQVUHSFY-MOPGFXCFSA-N 2 1 372.513 0.972 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085105 493570113 /nfs/dbraw/zinc/57/01/13/493570113.db2.gz MALIYYAVPRHFLR-YOEHRIQHSA-N 2 1 362.474 0.830 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085105 493570114 /nfs/dbraw/zinc/57/01/14/493570114.db2.gz MALIYYAVPRHFLR-YOEHRIQHSA-N 2 1 362.474 0.830 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000670670592 493586770 /nfs/dbraw/zinc/58/67/70/493586770.db2.gz HCDRBCNJCICJIN-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671908 493586903 /nfs/dbraw/zinc/58/69/03/493586903.db2.gz CLUQUCBQOJHAFB-NVXWUHKLSA-N 2 1 368.522 0.306 20 0 FCADMP c1nc2nc(=N[C@H]3CC[NH+](C4CC4)C3)cc(N[C@H]3CC[N@H+](C4CC4)C3)n2[nH]1 ZINC000663425491 493588211 /nfs/dbraw/zinc/58/82/11/493588211.db2.gz RCSQGAKTBDACFN-KBPBESRZSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@H]3CC[N@@H+](C4CC4)C3)cc(N[C@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425491 493588213 /nfs/dbraw/zinc/58/82/13/493588213.db2.gz RCSQGAKTBDACFN-KBPBESRZSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@H]3CC[N@H+](C4CC4)C3)cc(N[C@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425491 493588216 /nfs/dbraw/zinc/58/82/16/493588216.db2.gz RCSQGAKTBDACFN-KBPBESRZSA-N 2 1 368.489 0.843 20 0 FCADMP O=C1CCCN1[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000677738068 493614622 /nfs/dbraw/zinc/61/46/22/493614622.db2.gz BOPJTSRWCKDXRB-FKAFAWJWSA-N 2 1 360.502 0.936 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671031730 493624934 /nfs/dbraw/zinc/62/49/34/493624934.db2.gz XHFZYYNTJYXNGB-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671031730 493624936 /nfs/dbraw/zinc/62/49/36/493624936.db2.gz XHFZYYNTJYXNGB-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671104817 493634655 /nfs/dbraw/zinc/63/46/55/493634655.db2.gz RUYKYQBLKRWVDC-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671104817 493634657 /nfs/dbraw/zinc/63/46/57/493634657.db2.gz RUYKYQBLKRWVDC-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671104817 493634660 /nfs/dbraw/zinc/63/46/60/493634660.db2.gz RUYKYQBLKRWVDC-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104571 493634989 /nfs/dbraw/zinc/63/49/89/493634989.db2.gz WEPMBMPKUBKBLT-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671108379 493636381 /nfs/dbraw/zinc/63/63/81/493636381.db2.gz XTPUUIWRUAQBTC-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108379 493636384 /nfs/dbraw/zinc/63/63/84/493636384.db2.gz XTPUUIWRUAQBTC-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108379 493636386 /nfs/dbraw/zinc/63/63/86/493636386.db2.gz XTPUUIWRUAQBTC-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181077 493648025 /nfs/dbraw/zinc/64/80/25/493648025.db2.gz BOEHQVNCFYITHH-DLBZAZTESA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181077 493648027 /nfs/dbraw/zinc/64/80/27/493648027.db2.gz BOEHQVNCFYITHH-DLBZAZTESA-N 2 1 364.490 0.053 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671370788 493661249 /nfs/dbraw/zinc/66/12/49/493661249.db2.gz QWVQSAMBLCUKBF-DRMAHVMPSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671370788 493661251 /nfs/dbraw/zinc/66/12/51/493661251.db2.gz QWVQSAMBLCUKBF-DRMAHVMPSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000671404258 493666113 /nfs/dbraw/zinc/66/61/13/493666113.db2.gz CYKIYWBQDVTJDK-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671404258 493666115 /nfs/dbraw/zinc/66/61/15/493666115.db2.gz CYKIYWBQDVTJDK-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671404258 493666116 /nfs/dbraw/zinc/66/61/16/493666116.db2.gz CYKIYWBQDVTJDK-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671404509 493666602 /nfs/dbraw/zinc/66/66/02/493666602.db2.gz BLXBBQVBUKJXIC-QXSJWSMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671404509 493666606 /nfs/dbraw/zinc/66/66/06/493666606.db2.gz BLXBBQVBUKJXIC-QXSJWSMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671404509 493666607 /nfs/dbraw/zinc/66/66/07/493666607.db2.gz BLXBBQVBUKJXIC-QXSJWSMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671404509 493666610 /nfs/dbraw/zinc/66/66/10/493666610.db2.gz BLXBBQVBUKJXIC-QXSJWSMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H]1O ZINC000664625351 493673324 /nfs/dbraw/zinc/67/33/24/493673324.db2.gz MTPOXKULMYVNFE-SQNIBIBYSA-N 2 1 362.474 0.070 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679500223 493683115 /nfs/dbraw/zinc/68/31/15/493683115.db2.gz RPKZTKFOLBWARE-UKRRQHHQSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679500223 493683118 /nfs/dbraw/zinc/68/31/18/493683118.db2.gz RPKZTKFOLBWARE-UKRRQHHQSA-N 2 1 354.414 0.949 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCSC1 ZINC000679508621 493684460 /nfs/dbraw/zinc/68/44/60/493684460.db2.gz OFVAOSPSTWOTCI-KRWDZBQOSA-N 2 1 374.470 0.759 20 0 FCADMP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509802 493684996 /nfs/dbraw/zinc/68/49/96/493684996.db2.gz SKPPLDXFQWFACN-OAHLLOKOSA-N 2 1 374.445 0.679 20 0 FCADMP C[NH+]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000679923944 493701743 /nfs/dbraw/zinc/70/17/43/493701743.db2.gz WHTIXRFQMGOMBE-IBGZPJMESA-N 2 1 360.502 0.507 20 0 FCADMP C[NH+]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000679923944 493701744 /nfs/dbraw/zinc/70/17/44/493701744.db2.gz WHTIXRFQMGOMBE-IBGZPJMESA-N 2 1 360.502 0.507 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556079 493723375 /nfs/dbraw/zinc/72/33/75/493723375.db2.gz QJKXWOMSLANYDO-HOTGVXAUSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556079 493723378 /nfs/dbraw/zinc/72/33/78/493723378.db2.gz QJKXWOMSLANYDO-HOTGVXAUSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556079 493723381 /nfs/dbraw/zinc/72/33/81/493723381.db2.gz QJKXWOMSLANYDO-HOTGVXAUSA-N 2 1 365.522 0.807 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010667 493723978 /nfs/dbraw/zinc/72/39/78/493723978.db2.gz XKPAEBLGCSYYKB-HOCLYGCPSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672010671 493724221 /nfs/dbraw/zinc/72/42/21/493724221.db2.gz XKPAEBLGCSYYKB-ZBFHGGJFSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014964 493724821 /nfs/dbraw/zinc/72/48/21/493724821.db2.gz ZMZDEXFCTOEYCN-UAGQMJEPSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672305056 493751867 /nfs/dbraw/zinc/75/18/67/493751867.db2.gz YQBNNMMPAUUDOA-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000672305813 493752006 /nfs/dbraw/zinc/75/20/06/493752006.db2.gz FCQFXXIHSLVKLC-MSOLQXFVSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000672308320 493753663 /nfs/dbraw/zinc/75/36/63/493753663.db2.gz INIXJOYTGIZFAX-KRWDZBQOSA-N 2 1 371.485 0.639 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000672308320 493753666 /nfs/dbraw/zinc/75/36/66/493753666.db2.gz INIXJOYTGIZFAX-KRWDZBQOSA-N 2 1 371.485 0.639 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310089 493753960 /nfs/dbraw/zinc/75/39/60/493753960.db2.gz GKBJMKITNJELDD-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310089 493753962 /nfs/dbraw/zinc/75/39/62/493753962.db2.gz GKBJMKITNJELDD-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310089 493753963 /nfs/dbraw/zinc/75/39/63/493753963.db2.gz GKBJMKITNJELDD-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310969 493754765 /nfs/dbraw/zinc/75/47/65/493754765.db2.gz QBLIUIOTAZCHEO-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672310969 493754766 /nfs/dbraw/zinc/75/47/66/493754766.db2.gz QBLIUIOTAZCHEO-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672310969 493754767 /nfs/dbraw/zinc/75/47/67/493754767.db2.gz QBLIUIOTAZCHEO-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672311972 493755102 /nfs/dbraw/zinc/75/51/02/493755102.db2.gz XMRKAKQMUZATNS-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672311972 493755105 /nfs/dbraw/zinc/75/51/05/493755105.db2.gz XMRKAKQMUZATNS-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311972 493755108 /nfs/dbraw/zinc/75/51/08/493755108.db2.gz XMRKAKQMUZATNS-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312509 493755403 /nfs/dbraw/zinc/75/54/03/493755403.db2.gz UQHJQSWWLXXAAU-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125461 493759340 /nfs/dbraw/zinc/75/93/40/493759340.db2.gz GWAFBUYONGVNJY-OXJNMPFZSA-N 2 1 372.469 0.195 20 0 FCADMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581475 533999916 /nfs/dbraw/zinc/99/99/16/533999916.db2.gz BHMGACLPANKJHJ-RDJZCZTQSA-N 2 1 373.501 0.896 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581475 533999920 /nfs/dbraw/zinc/99/99/20/533999920.db2.gz BHMGACLPANKJHJ-RDJZCZTQSA-N 2 1 373.501 0.896 20 0 FCADMP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000190214306 534362426 /nfs/dbraw/zinc/36/24/26/534362426.db2.gz IBSGBDQUZILSIM-CQSZACIVSA-N 2 1 352.483 0.754 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419960697 536449141 /nfs/dbraw/zinc/44/91/41/536449141.db2.gz WQTHEHQIKPPRTL-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423595305 536466427 /nfs/dbraw/zinc/46/64/27/536466427.db2.gz PSHVLWSGLGXSCD-OAHLLOKOSA-N 2 1 350.463 0.770 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419444217 536496880 /nfs/dbraw/zinc/49/68/80/536496880.db2.gz CDEYZGCGTBOKPZ-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840324 527804597 /nfs/dbraw/zinc/80/45/97/527804597.db2.gz DTJGURQXUSSRJO-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840324 527804604 /nfs/dbraw/zinc/80/46/04/527804604.db2.gz DTJGURQXUSSRJO-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840324 527804607 /nfs/dbraw/zinc/80/46/07/527804607.db2.gz DTJGURQXUSSRJO-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840324 527804614 /nfs/dbraw/zinc/80/46/14/527804614.db2.gz DTJGURQXUSSRJO-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410474277 527827744 /nfs/dbraw/zinc/82/77/44/527827744.db2.gz WUYKJIVJXHIBFE-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410474277 527827751 /nfs/dbraw/zinc/82/77/51/527827751.db2.gz WUYKJIVJXHIBFE-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000410941999 527891194 /nfs/dbraw/zinc/89/11/94/527891194.db2.gz DUBWIPOBKHBNTG-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000410941999 527891197 /nfs/dbraw/zinc/89/11/97/527891197.db2.gz DUBWIPOBKHBNTG-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000410941999 527891201 /nfs/dbraw/zinc/89/12/01/527891201.db2.gz DUBWIPOBKHBNTG-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000410941999 527891204 /nfs/dbraw/zinc/89/12/04/527891204.db2.gz DUBWIPOBKHBNTG-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410708090 527962773 /nfs/dbraw/zinc/96/27/73/527962773.db2.gz AXFCLVYROYZIQX-HOTGVXAUSA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410708090 527962777 /nfs/dbraw/zinc/96/27/77/527962777.db2.gz AXFCLVYROYZIQX-HOTGVXAUSA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@@H]1C ZINC000410704747 527965299 /nfs/dbraw/zinc/96/52/99/527965299.db2.gz SVRFIORVDRPKSM-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@@H]1C ZINC000410704747 527965302 /nfs/dbraw/zinc/96/53/02/527965302.db2.gz SVRFIORVDRPKSM-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@@H]1C ZINC000410704747 527965309 /nfs/dbraw/zinc/96/53/09/527965309.db2.gz SVRFIORVDRPKSM-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@@H]1C ZINC000410704747 527965312 /nfs/dbraw/zinc/96/53/12/527965312.db2.gz SVRFIORVDRPKSM-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410914468 528065123 /nfs/dbraw/zinc/06/51/23/528065123.db2.gz ZDUUSYHMXXNPDB-MRXNPFEDSA-N 2 1 370.538 0.480 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410914468 528065128 /nfs/dbraw/zinc/06/51/28/528065128.db2.gz ZDUUSYHMXXNPDB-MRXNPFEDSA-N 2 1 370.538 0.480 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000410474832 528387789 /nfs/dbraw/zinc/38/77/89/528387789.db2.gz YHIKYCRCHUVCLK-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1CCOC ZINC000410474832 528387793 /nfs/dbraw/zinc/38/77/93/528387793.db2.gz YHIKYCRCHUVCLK-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000410810319 528434232 /nfs/dbraw/zinc/43/42/32/528434232.db2.gz OSGLYEMFTFGJQY-UHFFFAOYSA-N 2 1 361.490 0.839 20 0 FCADMP CC[N@@H+](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000413233080 528492255 /nfs/dbraw/zinc/49/22/55/528492255.db2.gz UTZPHBBUOGVPOH-UHFFFAOYSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000410721627 528715498 /nfs/dbraw/zinc/71/54/98/528715498.db2.gz XETLOKUOTPICBQ-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000410721627 528715501 /nfs/dbraw/zinc/71/55/01/528715501.db2.gz XETLOKUOTPICBQ-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000410489949 528715644 /nfs/dbraw/zinc/71/56/44/528715644.db2.gz BERASPZDTHEFFH-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000410489949 528715650 /nfs/dbraw/zinc/71/56/50/528715650.db2.gz BERASPZDTHEFFH-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000410731932 528716366 /nfs/dbraw/zinc/71/63/66/528716366.db2.gz QUWHAMQXOLBFTI-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000410731932 528716371 /nfs/dbraw/zinc/71/63/71/528716371.db2.gz QUWHAMQXOLBFTI-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731932 528716374 /nfs/dbraw/zinc/71/63/74/528716374.db2.gz QUWHAMQXOLBFTI-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731932 528716379 /nfs/dbraw/zinc/71/63/79/528716379.db2.gz QUWHAMQXOLBFTI-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCN(C)CC1 ZINC000186862926 529003929 /nfs/dbraw/zinc/00/39/29/529003929.db2.gz SJDOGWQOYNXEAF-KRWDZBQOSA-N 2 1 355.527 0.280 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000411030771 529073632 /nfs/dbraw/zinc/07/36/32/529073632.db2.gz RUGXUDYUTJUGOW-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000411030771 529073637 /nfs/dbraw/zinc/07/36/37/529073637.db2.gz RUGXUDYUTJUGOW-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000411030771 529073643 /nfs/dbraw/zinc/07/36/43/529073643.db2.gz RUGXUDYUTJUGOW-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419695577 535073367 /nfs/dbraw/zinc/07/33/67/535073367.db2.gz LAHDWQDVRZPFFK-HOTGVXAUSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419160570 535082530 /nfs/dbraw/zinc/08/25/30/535082530.db2.gz ZKYGAZHLTFUISC-MRXNPFEDSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419384631 535083930 /nfs/dbraw/zinc/08/39/30/535083930.db2.gz BFMAVNAXOVDGKU-HDICACEKSA-N 2 1 370.497 0.617 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C1 ZINC000436297297 535211470 /nfs/dbraw/zinc/21/14/70/535211470.db2.gz XDEBETDQQOQLGL-WSTZPKSXSA-N 2 1 364.534 0.630 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000423527647 535425457 /nfs/dbraw/zinc/42/54/57/535425457.db2.gz MZLIDTKLHOEAEC-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000423527647 535425460 /nfs/dbraw/zinc/42/54/60/535425460.db2.gz MZLIDTKLHOEAEC-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419156173 535462790 /nfs/dbraw/zinc/46/27/90/535462790.db2.gz VAXWYFXTXXINDP-AWEZNQCLSA-N 2 1 352.504 0.802 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935707 535551619 /nfs/dbraw/zinc/55/16/19/535551619.db2.gz ASHFIDWAAJEICT-BBWFWOEESA-N 2 1 350.507 0.953 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000419897473 535714198 /nfs/dbraw/zinc/71/41/98/535714198.db2.gz YYWQQKACWUSKMX-QGZVFWFLSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC[N@@H+]1CCOC ZINC000423524727 535733415 /nfs/dbraw/zinc/73/34/15/535733415.db2.gz JZCSBXRGIOQLRK-HNNXBMFYSA-N 2 1 356.511 0.389 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC[N@H+]1CCOC ZINC000423524727 535733418 /nfs/dbraw/zinc/73/34/18/535733418.db2.gz JZCSBXRGIOQLRK-HNNXBMFYSA-N 2 1 356.511 0.389 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000446577363 535931537 /nfs/dbraw/zinc/93/15/37/535931537.db2.gz UMUXZOKITWJMFI-IBGZPJMESA-N 2 1 364.490 0.995 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618706 536306922 /nfs/dbraw/zinc/30/69/22/536306922.db2.gz ZTXHBMZWASYMGZ-CQSZACIVSA-N 2 1 354.476 0.737 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000423403246 536340903 /nfs/dbraw/zinc/34/09/03/536340903.db2.gz XGDOOXHFCDPKDU-AWEZNQCLSA-N 2 1 355.479 0.807 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000423403246 536340906 /nfs/dbraw/zinc/34/09/06/536340906.db2.gz XGDOOXHFCDPKDU-AWEZNQCLSA-N 2 1 355.479 0.807 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000419404369 536349019 /nfs/dbraw/zinc/34/90/19/536349019.db2.gz GBXKHMGFLAPNSO-MRXNPFEDSA-N 2 1 354.495 0.333 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419400133 536369280 /nfs/dbraw/zinc/36/92/80/536369280.db2.gz LHVHMLIVEZLFAI-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419398675 536416337 /nfs/dbraw/zinc/41/63/37/536416337.db2.gz XNPHULRPGHHCCR-KRWDZBQOSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503875 536417239 /nfs/dbraw/zinc/41/72/39/536417239.db2.gz INXXIYVVUIJYTP-IRXDYDNUSA-N 2 1 373.501 0.134 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000423859411 536453705 /nfs/dbraw/zinc/45/37/05/536453705.db2.gz HUNUDRHHVJHDAL-GJZGRUSLSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000423859411 536453707 /nfs/dbraw/zinc/45/37/07/536453707.db2.gz HUNUDRHHVJHDAL-GJZGRUSLSA-N 2 1 363.462 0.517 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419786858 536481476 /nfs/dbraw/zinc/48/14/76/536481476.db2.gz ZJDDBOYCOHPHIU-ROUUACIJSA-N 2 1 358.486 0.881 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000446593787 536751327 /nfs/dbraw/zinc/75/13/27/536751327.db2.gz CBEMYGRFWMWUEW-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423441712 536774440 /nfs/dbraw/zinc/77/44/40/536774440.db2.gz JGGQNSFWUVEDEJ-KRWDZBQOSA-N 2 1 368.522 0.533 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419841993 536774963 /nfs/dbraw/zinc/77/49/63/536774963.db2.gz KYCIIKVGYWVYPA-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423602987 536776181 /nfs/dbraw/zinc/77/61/81/536776181.db2.gz GJWVWMBWJZZIKV-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419673298 536780277 /nfs/dbraw/zinc/78/02/77/536780277.db2.gz HCWMZGWOPPXOAU-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCOC(=O)[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000594335945 546785093 /nfs/dbraw/zinc/78/50/93/546785093.db2.gz YXLNKDVDLPJLFQ-MRXNPFEDSA-N 2 1 355.479 0.223 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC[S@](=O)C1 ZINC000475119894 546937796 /nfs/dbraw/zinc/93/77/96/546937796.db2.gz QAOYYSVEIFKNKN-BZQUYTCOSA-N 2 1 365.503 0.414 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000550839304 547111430 /nfs/dbraw/zinc/11/14/30/547111430.db2.gz XIRXXGPMEVLXPO-WMLDXEAASA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000550839304 547111434 /nfs/dbraw/zinc/11/14/34/547111434.db2.gz XIRXXGPMEVLXPO-WMLDXEAASA-N 2 1 356.536 0.339 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000550903535 547114069 /nfs/dbraw/zinc/11/40/69/547114069.db2.gz ZKFBYSYYEIDLNU-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000550903535 547114073 /nfs/dbraw/zinc/11/40/73/547114073.db2.gz ZKFBYSYYEIDLNU-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000550903535 547114077 /nfs/dbraw/zinc/11/40/77/547114077.db2.gz ZKFBYSYYEIDLNU-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000550958352 547116768 /nfs/dbraw/zinc/11/67/68/547116768.db2.gz SKBWJTACQNQJLH-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000550958352 547116771 /nfs/dbraw/zinc/11/67/71/547116771.db2.gz SKBWJTACQNQJLH-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000550958352 547116777 /nfs/dbraw/zinc/11/67/77/547116777.db2.gz SKBWJTACQNQJLH-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550946725 547117232 /nfs/dbraw/zinc/11/72/32/547117232.db2.gz XSYZIKOSAVZGQG-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000550958350 547117389 /nfs/dbraw/zinc/11/73/89/547117389.db2.gz SKBWJTACQNQJLH-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000550958350 547117395 /nfs/dbraw/zinc/11/73/95/547117395.db2.gz SKBWJTACQNQJLH-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000550958350 547117398 /nfs/dbraw/zinc/11/73/98/547117398.db2.gz SKBWJTACQNQJLH-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551214906 547134639 /nfs/dbraw/zinc/13/46/39/547134639.db2.gz IPIUEMVUZSDVSS-RHSMWYFYSA-N 2 1 356.536 0.531 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1=O ZINC000552350495 547203020 /nfs/dbraw/zinc/20/30/20/547203020.db2.gz FCMZQSHFKUXBAQ-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000552364057 547205157 /nfs/dbraw/zinc/20/51/57/547205157.db2.gz UBCNKMBHNMQVDN-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000566244930 547316562 /nfs/dbraw/zinc/31/65/62/547316562.db2.gz COLXYVPXLUZJJY-KGLIPLIRSA-N 2 1 366.487 0.594 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356761 547337541 /nfs/dbraw/zinc/33/75/41/547337541.db2.gz WFSRYXHSJOVMKG-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356761 547337542 /nfs/dbraw/zinc/33/75/42/547337542.db2.gz WFSRYXHSJOVMKG-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356761 547337544 /nfs/dbraw/zinc/33/75/44/547337544.db2.gz WFSRYXHSJOVMKG-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713908 547385976 /nfs/dbraw/zinc/38/59/76/547385976.db2.gz MEZHTJAPJQNWTR-VXNCWWDNSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713908 547385980 /nfs/dbraw/zinc/38/59/80/547385980.db2.gz MEZHTJAPJQNWTR-VXNCWWDNSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713908 547385984 /nfs/dbraw/zinc/38/59/84/547385984.db2.gz MEZHTJAPJQNWTR-VXNCWWDNSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713908 547385988 /nfs/dbraw/zinc/38/59/88/547385988.db2.gz MEZHTJAPJQNWTR-VXNCWWDNSA-N 2 1 355.523 0.642 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](CCCO)CC3)C2)CC[N@H+]1C ZINC000949098977 674394241 /nfs/dbraw/zinc/39/42/41/674394241.db2.gz PCIMFAIBMYFWCS-DLBZAZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000949244829 674398187 /nfs/dbraw/zinc/39/81/87/674398187.db2.gz AHWWXRGROWWNFN-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000949244829 674398190 /nfs/dbraw/zinc/39/81/90/674398190.db2.gz AHWWXRGROWWNFN-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000949244829 674398192 /nfs/dbraw/zinc/39/81/92/674398192.db2.gz AHWWXRGROWWNFN-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC000950248202 674423219 /nfs/dbraw/zinc/42/32/19/674423219.db2.gz QIRUVEGJRFFGTI-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737498398 598531147 /nfs/dbraw/zinc/53/11/47/598531147.db2.gz FHMKFASSSFZEQQ-YPMHNXCESA-N 2 1 356.438 0.536 20 0 FCADMP C[NH+]1CCN(CCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736865126 599484937 /nfs/dbraw/zinc/48/49/37/599484937.db2.gz VLTCBSAFEPKWRC-UHFFFAOYSA-N 2 1 369.477 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000956077902 674518240 /nfs/dbraw/zinc/51/82/40/674518240.db2.gz BXQDFLOYMVRRBR-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000956387059 674522557 /nfs/dbraw/zinc/52/25/57/674522557.db2.gz DHPZMYFLTYSSOS-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000956387059 674522560 /nfs/dbraw/zinc/52/25/60/674522560.db2.gz DHPZMYFLTYSSOS-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000956387059 674522564 /nfs/dbraw/zinc/52/25/64/674522564.db2.gz DHPZMYFLTYSSOS-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825453494 609205095 /nfs/dbraw/zinc/20/50/95/609205095.db2.gz VCOAIBPFRAGKCY-CQSZACIVSA-N 2 1 360.466 0.683 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000989482941 665817947 /nfs/dbraw/zinc/81/79/47/665817947.db2.gz WZGLYDURUAXDLC-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC000990763648 665930608 /nfs/dbraw/zinc/93/06/08/665930608.db2.gz OPGFUVIWJFDHGN-WFXMFSGNSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763648 665930610 /nfs/dbraw/zinc/93/06/10/665930610.db2.gz OPGFUVIWJFDHGN-WFXMFSGNSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763648 665930611 /nfs/dbraw/zinc/93/06/11/665930611.db2.gz OPGFUVIWJFDHGN-WFXMFSGNSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCC2CCOCC2)C1 ZINC000969959467 663211222 /nfs/dbraw/zinc/21/12/22/663211222.db2.gz TYJYJHVDECVYNC-RVKKMQEKSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCC2CCOCC2)C1 ZINC000969959467 663211224 /nfs/dbraw/zinc/21/12/24/663211224.db2.gz TYJYJHVDECVYNC-RVKKMQEKSA-N 2 1 353.507 0.959 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000891513455 663410818 /nfs/dbraw/zinc/41/08/18/663410818.db2.gz CIPGULPBMJUUHN-OWCLPIDISA-N 2 1 352.479 0.308 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000891514155 663410909 /nfs/dbraw/zinc/41/09/09/663410909.db2.gz MQYPKTALYJZRIR-NEPJUHHUSA-N 2 1 351.476 0.533 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526612 663411992 /nfs/dbraw/zinc/41/19/92/663411992.db2.gz COATYSNNDQFSJL-HOTGVXAUSA-N 2 1 353.511 0.080 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538129 663412849 /nfs/dbraw/zinc/41/28/49/663412849.db2.gz QFYDIBRNTZVVEQ-CVEARBPZSA-N 2 1 354.495 0.555 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538130 663412956 /nfs/dbraw/zinc/41/29/56/663412956.db2.gz QFYDIBRNTZVVEQ-HOTGVXAUSA-N 2 1 354.495 0.555 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559638 663415589 /nfs/dbraw/zinc/41/55/89/663415589.db2.gz GSYOXMXGXLXXMB-KGLIPLIRSA-N 2 1 359.465 0.699 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559638 663415591 /nfs/dbraw/zinc/41/55/91/663415591.db2.gz GSYOXMXGXLXXMB-KGLIPLIRSA-N 2 1 359.465 0.699 20 0 FCADMP Cc1nc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001022276235 663428718 /nfs/dbraw/zinc/42/87/18/663428718.db2.gz DUDNQHHIMWEWBY-BQDHKBFISA-N 2 1 352.504 0.950 20 0 FCADMP Cc1nc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001022276235 663428722 /nfs/dbraw/zinc/42/87/22/663428722.db2.gz DUDNQHHIMWEWBY-BQDHKBFISA-N 2 1 352.504 0.950 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891952502 663454058 /nfs/dbraw/zinc/45/40/58/663454058.db2.gz IDNMNODXBLDPEW-HOTGVXAUSA-N 2 1 352.479 0.404 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892036925 663469418 /nfs/dbraw/zinc/46/94/18/663469418.db2.gz QSWJUPUFZIIEOD-IRXDYDNUSA-N 2 1 355.527 0.456 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892041747 663469805 /nfs/dbraw/zinc/46/98/05/663469805.db2.gz VBTOOPHXXKLSCF-IAGOWNOFSA-N 2 1 355.527 0.600 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097357 663475757 /nfs/dbraw/zinc/47/57/57/663475757.db2.gz NHHKEEWWONNZPZ-BRWVUGGUSA-N 2 1 353.511 0.223 20 0 FCADMP C[N@H+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000892108992 663477387 /nfs/dbraw/zinc/47/73/87/663477387.db2.gz XWHGKWFPMBNIPQ-GFCCVEGCSA-N 2 1 351.417 0.558 20 0 FCADMP C[N@H+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1(C)C ZINC000892108977 663477432 /nfs/dbraw/zinc/47/74/32/663477432.db2.gz XUBFQNMILBGZGL-ZDUSSCGKSA-N 2 1 365.444 0.948 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892336037 663574668 /nfs/dbraw/zinc/57/46/68/663574668.db2.gz YKNSQCPOSRGQBJ-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP C[C@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)CN1CC[NH+](C)CC1 ZINC000924489526 663611007 /nfs/dbraw/zinc/61/10/07/663611007.db2.gz ALFXVJXTAFYNCS-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[NH2+]C1 ZINC000892384809 663797683 /nfs/dbraw/zinc/79/76/83/663797683.db2.gz PLCDCQHHKBTGTP-HUUCEWRRSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001024446884 663943722 /nfs/dbraw/zinc/94/37/22/663943722.db2.gz KDFJUJFVTKNOSX-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024446884 663943724 /nfs/dbraw/zinc/94/37/24/663943724.db2.gz KDFJUJFVTKNOSX-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024446884 663943725 /nfs/dbraw/zinc/94/37/25/663943725.db2.gz KDFJUJFVTKNOSX-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000959656439 674581522 /nfs/dbraw/zinc/58/15/22/674581522.db2.gz YSEQAJJOXCKXJK-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC000959656439 674581525 /nfs/dbraw/zinc/58/15/25/674581525.db2.gz YSEQAJJOXCKXJK-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC000959656439 674581529 /nfs/dbraw/zinc/58/15/29/674581529.db2.gz YSEQAJJOXCKXJK-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651526 664059151 /nfs/dbraw/zinc/05/91/51/664059151.db2.gz ZLLQHGCBUOYTJY-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651526 664059155 /nfs/dbraw/zinc/05/91/55/664059155.db2.gz ZLLQHGCBUOYTJY-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892651526 664059157 /nfs/dbraw/zinc/05/91/57/664059157.db2.gz ZLLQHGCBUOYTJY-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000892685588 664103556 /nfs/dbraw/zinc/10/35/56/664103556.db2.gz AGKLRWLIBJSPLN-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000892917899 664154363 /nfs/dbraw/zinc/15/43/63/664154363.db2.gz CKGIFFKAJFEGDL-GASCZTMLSA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000892937964 664165879 /nfs/dbraw/zinc/16/58/79/664165879.db2.gz JPHWPIQANZZHGB-UHFFFAOYSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818289 664195447 /nfs/dbraw/zinc/19/54/47/664195447.db2.gz NKRWCKUNCDSIKC-IKIFYQGPSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818289 664195450 /nfs/dbraw/zinc/19/54/50/664195450.db2.gz NKRWCKUNCDSIKC-IKIFYQGPSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818289 664195454 /nfs/dbraw/zinc/19/54/54/664195454.db2.gz NKRWCKUNCDSIKC-IKIFYQGPSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818289 664195456 /nfs/dbraw/zinc/19/54/56/664195456.db2.gz NKRWCKUNCDSIKC-IKIFYQGPSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CC(C)(C)CO4)C[C@H]32)O1 ZINC001025818289 664195459 /nfs/dbraw/zinc/19/54/59/664195459.db2.gz NKRWCKUNCDSIKC-IKIFYQGPSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000974185713 664226804 /nfs/dbraw/zinc/22/68/04/664226804.db2.gz RFYCTIRNYYSHNN-LVQVYYBASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000974185713 664226806 /nfs/dbraw/zinc/22/68/06/664226806.db2.gz RFYCTIRNYYSHNN-LVQVYYBASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000974185713 664226809 /nfs/dbraw/zinc/22/68/09/664226809.db2.gz RFYCTIRNYYSHNN-LVQVYYBASA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC000974598985 664267599 /nfs/dbraw/zinc/26/75/99/664267599.db2.gz FSEPZSSJLYKTEO-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)CC1 ZINC000974597028 664267680 /nfs/dbraw/zinc/26/76/80/664267680.db2.gz PUDHXNOOPHRRPR-ZACQAIPSSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21)[NH+](C)C ZINC000975039748 664300409 /nfs/dbraw/zinc/30/04/09/664300409.db2.gz KNYLTDHUGWJSJU-QBPKDAKJSA-N 2 1 350.507 0.726 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976690555 664394001 /nfs/dbraw/zinc/39/40/01/664394001.db2.gz COEZUBOVTBADRL-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043277 664816535 /nfs/dbraw/zinc/81/65/35/664816535.db2.gz KOWGYQIYRFGPDZ-KSZLIROESA-N 2 1 351.491 0.857 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCF)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043088 664816640 /nfs/dbraw/zinc/81/66/40/664816640.db2.gz GENYIVWZLSATCR-ZACQAIPSSA-N 2 1 357.470 0.806 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001028550193 664901858 /nfs/dbraw/zinc/90/18/58/664901858.db2.gz KHVHADRDJXGYQJ-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001028550193 664901862 /nfs/dbraw/zinc/90/18/62/664901862.db2.gz KHVHADRDJXGYQJ-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001028550193 664901863 /nfs/dbraw/zinc/90/18/63/664901863.db2.gz KHVHADRDJXGYQJ-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000726785122 664925948 /nfs/dbraw/zinc/92/59/48/664925948.db2.gz AYNNKQBYYGFJGD-LBPRGKRZSA-N 2 1 352.435 0.234 20 0 FCADMP COC(=O)[C@@H](C)C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000726785122 664925949 /nfs/dbraw/zinc/92/59/49/664925949.db2.gz AYNNKQBYYGFJGD-LBPRGKRZSA-N 2 1 352.435 0.234 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000982822378 664928651 /nfs/dbraw/zinc/92/86/51/664928651.db2.gz YRYGTKCTYOTQAP-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C)CC[NH+](C)CC2)CCCO1 ZINC000894448167 664967417 /nfs/dbraw/zinc/96/74/17/664967417.db2.gz LLDAZZVERXWDFS-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)CCCO1 ZINC000894448167 664967418 /nfs/dbraw/zinc/96/74/18/664967418.db2.gz LLDAZZVERXWDFS-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)CCCO1 ZINC000894448167 664967419 /nfs/dbraw/zinc/96/74/19/664967419.db2.gz LLDAZZVERXWDFS-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000983705038 664985026 /nfs/dbraw/zinc/98/50/26/664985026.db2.gz QLKIBGRNZNNBQA-AAVRWANBSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000983705038 664985028 /nfs/dbraw/zinc/98/50/28/664985028.db2.gz QLKIBGRNZNNBQA-AAVRWANBSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC000984015336 665013524 /nfs/dbraw/zinc/01/35/24/665013524.db2.gz PJQPGQTXKPHMBC-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC000984015336 665013527 /nfs/dbraw/zinc/01/35/27/665013527.db2.gz PJQPGQTXKPHMBC-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@@H]2CCCO2)O1 ZINC001029357888 665019173 /nfs/dbraw/zinc/01/91/73/665019173.db2.gz ZUBDKEXKILXQFD-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@@H]2CCCO2)O1 ZINC001029357888 665019176 /nfs/dbraw/zinc/01/91/76/665019176.db2.gz ZUBDKEXKILXQFD-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H]2CCCO2)O1 ZINC001029357888 665019177 /nfs/dbraw/zinc/01/91/77/665019177.db2.gz ZUBDKEXKILXQFD-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CCCO2)O1 ZINC001029357888 665019180 /nfs/dbraw/zinc/01/91/80/665019180.db2.gz ZUBDKEXKILXQFD-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000895297919 665035941 /nfs/dbraw/zinc/03/59/41/665035941.db2.gz FPIMXDXLVBSKHY-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895297919 665035945 /nfs/dbraw/zinc/03/59/45/665035945.db2.gz FPIMXDXLVBSKHY-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCc4ccns4)C[C@H]32)O1 ZINC000960526352 674677616 /nfs/dbraw/zinc/67/76/16/674677616.db2.gz LPMBIDHDXYPZNZ-JZYAIQKZSA-N 2 1 350.488 0.451 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCc4ccns4)C[C@H]32)O1 ZINC000960526352 674677619 /nfs/dbraw/zinc/67/76/19/674677619.db2.gz LPMBIDHDXYPZNZ-JZYAIQKZSA-N 2 1 350.488 0.451 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)O1 ZINC000960526352 674677622 /nfs/dbraw/zinc/67/76/22/674677622.db2.gz LPMBIDHDXYPZNZ-JZYAIQKZSA-N 2 1 350.488 0.451 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)O1 ZINC000960526352 674677625 /nfs/dbraw/zinc/67/76/25/674677625.db2.gz LPMBIDHDXYPZNZ-JZYAIQKZSA-N 2 1 350.488 0.451 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326479 665080994 /nfs/dbraw/zinc/08/09/94/665080994.db2.gz ZISJQAXGFPHWRZ-MRXNPFEDSA-N 2 1 350.507 0.382 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326479 665080998 /nfs/dbraw/zinc/08/09/98/665080998.db2.gz ZISJQAXGFPHWRZ-MRXNPFEDSA-N 2 1 350.507 0.382 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000985063673 665130283 /nfs/dbraw/zinc/13/02/83/665130283.db2.gz NYFFSIPXASQSFC-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985439716 665167314 /nfs/dbraw/zinc/16/73/14/665167314.db2.gz DUOJLFPHZKCTBP-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCN(C)C3=O)CC2)CC[NH+]1C ZINC000985439716 665167316 /nfs/dbraw/zinc/16/73/16/665167316.db2.gz DUOJLFPHZKCTBP-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCN(C)C3=O)CC2)CC[NH+]1C ZINC000985439716 665167317 /nfs/dbraw/zinc/16/73/17/665167317.db2.gz DUOJLFPHZKCTBP-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000888169351 665284919 /nfs/dbraw/zinc/28/49/19/665284919.db2.gz HNDPEGRIPHFEAK-HZPDHXFCSA-N 2 1 353.511 0.868 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000897488216 665293827 /nfs/dbraw/zinc/29/38/27/665293827.db2.gz YBAUOSFUXSKPSW-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000897488216 665293828 /nfs/dbraw/zinc/29/38/28/665293828.db2.gz YBAUOSFUXSKPSW-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000897488216 665293830 /nfs/dbraw/zinc/29/38/30/665293830.db2.gz YBAUOSFUXSKPSW-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000938038736 665312259 /nfs/dbraw/zinc/31/22/59/665312259.db2.gz BAQKRNMMSZTRTP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000938038842 665312566 /nfs/dbraw/zinc/31/25/66/665312566.db2.gz AQYYTNISNJPGIY-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000938038842 665312569 /nfs/dbraw/zinc/31/25/69/665312569.db2.gz AQYYTNISNJPGIY-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000938038842 665312573 /nfs/dbraw/zinc/31/25/73/665312573.db2.gz AQYYTNISNJPGIY-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000938043293 665313286 /nfs/dbraw/zinc/31/32/86/665313286.db2.gz HKAHJBWLWKFEEX-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000938043293 665313290 /nfs/dbraw/zinc/31/32/90/665313290.db2.gz HKAHJBWLWKFEEX-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000938043293 665313293 /nfs/dbraw/zinc/31/32/93/665313293.db2.gz HKAHJBWLWKFEEX-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)c2cccs2)CC1 ZINC000905874597 666040444 /nfs/dbraw/zinc/04/04/44/666040444.db2.gz ACLRTTHPKJMTKW-NUJGCVRESA-N 2 1 369.531 0.529 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000906561099 666056097 /nfs/dbraw/zinc/05/60/97/666056097.db2.gz TYUFGEHBEYIRTP-KRWDZBQOSA-N 2 1 350.507 0.875 20 0 FCADMP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906653489 666060986 /nfs/dbraw/zinc/06/09/86/666060986.db2.gz DSSJCAVTIQQUNI-GOSISDBHSA-N 2 1 351.539 0.107 20 0 FCADMP CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000906653489 666060987 /nfs/dbraw/zinc/06/09/87/666060987.db2.gz DSSJCAVTIQQUNI-GOSISDBHSA-N 2 1 351.539 0.107 20 0 FCADMP CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000906653489 666060988 /nfs/dbraw/zinc/06/09/88/666060988.db2.gz DSSJCAVTIQQUNI-GOSISDBHSA-N 2 1 351.539 0.107 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000907046410 666092332 /nfs/dbraw/zinc/09/23/32/666092332.db2.gz DWDQUGAJUGCTMN-ROUUACIJSA-N 2 1 352.523 0.364 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000907515700 666140654 /nfs/dbraw/zinc/14/06/54/666140654.db2.gz CLYOGPYLQXLHAR-ZWKOTPCHSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911079922 666308447 /nfs/dbraw/zinc/30/84/47/666308447.db2.gz KWJMXCVWINSCJA-YESZJQIVSA-N 2 1 350.507 0.539 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159614 666382611 /nfs/dbraw/zinc/38/26/11/666382611.db2.gz YSNKZYRFRVLZGY-MRXNPFEDSA-N 2 1 369.579 0.912 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912287911 666430357 /nfs/dbraw/zinc/43/03/57/666430357.db2.gz ZBUKXAVUSQECEB-UHFFFAOYSA-N 2 1 352.523 0.487 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1C ZINC000921363955 666440160 /nfs/dbraw/zinc/44/01/60/666440160.db2.gz PZTPBAXCXFKAOU-AWEZNQCLSA-N 2 1 350.467 0.539 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)n1C ZINC000921363955 666440161 /nfs/dbraw/zinc/44/01/61/666440161.db2.gz PZTPBAXCXFKAOU-AWEZNQCLSA-N 2 1 350.467 0.539 20 0 FCADMP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000912688402 666467833 /nfs/dbraw/zinc/46/78/33/666467833.db2.gz SWFYWFDQZFPOSI-NUJGCVRESA-N 2 1 351.491 0.593 20 0 FCADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000912688402 666467834 /nfs/dbraw/zinc/46/78/34/666467834.db2.gz SWFYWFDQZFPOSI-NUJGCVRESA-N 2 1 351.491 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000938499459 666468819 /nfs/dbraw/zinc/46/88/19/666468819.db2.gz YVGNGYDFWSUVHY-BQJWPVKWSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000938499459 666468822 /nfs/dbraw/zinc/46/88/22/666468822.db2.gz YVGNGYDFWSUVHY-BQJWPVKWSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000938499459 666468824 /nfs/dbraw/zinc/46/88/24/666468824.db2.gz YVGNGYDFWSUVHY-BQJWPVKWSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940311561 666546315 /nfs/dbraw/zinc/54/63/15/666546315.db2.gz UUSGKLJOVAIYTI-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940311561 666546316 /nfs/dbraw/zinc/54/63/16/666546316.db2.gz UUSGKLJOVAIYTI-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940311561 666546317 /nfs/dbraw/zinc/54/63/17/666546317.db2.gz UUSGKLJOVAIYTI-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000940770526 666560612 /nfs/dbraw/zinc/56/06/12/666560612.db2.gz SIHMQUUUJDIPGU-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)OC ZINC001030330399 666574793 /nfs/dbraw/zinc/57/47/93/666574793.db2.gz XBSMCQRVPRIGNM-KSZLIROESA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992089073 666617882 /nfs/dbraw/zinc/61/78/82/666617882.db2.gz DNUMEFGHZJPZST-HLLBOEOZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992089073 666617885 /nfs/dbraw/zinc/61/78/85/666617885.db2.gz DNUMEFGHZJPZST-HLLBOEOZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000992089073 666617888 /nfs/dbraw/zinc/61/78/88/666617888.db2.gz DNUMEFGHZJPZST-HLLBOEOZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)[C@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)N1CCOCC1 ZINC000913884088 666663222 /nfs/dbraw/zinc/66/32/22/666663222.db2.gz JQFQIOCCMKOOJM-IRXDYDNUSA-N 2 1 359.536 0.749 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccsc1 ZINC000419405484 674761127 /nfs/dbraw/zinc/76/11/27/674761127.db2.gz HQWUWMUXTQXYQS-PBHICJAKSA-N 2 1 350.488 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000942208053 666716993 /nfs/dbraw/zinc/71/69/93/666716993.db2.gz PJMIRYIBVGBEIA-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000942208053 666716996 /nfs/dbraw/zinc/71/69/96/666716996.db2.gz PJMIRYIBVGBEIA-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000942208053 666716998 /nfs/dbraw/zinc/71/69/98/666716998.db2.gz PJMIRYIBVGBEIA-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)[N@@H+](C)C1 ZINC000915070363 666819609 /nfs/dbraw/zinc/81/96/09/666819609.db2.gz WIFJEUGOZHOKHC-GJZGRUSLSA-N 2 1 352.479 0.038 20 0 FCADMP CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944300452 666839664 /nfs/dbraw/zinc/83/96/64/666839664.db2.gz JHXVWXIOIBGAAB-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944300452 666839668 /nfs/dbraw/zinc/83/96/68/666839668.db2.gz JHXVWXIOIBGAAB-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000944529707 666848025 /nfs/dbraw/zinc/84/80/25/666848025.db2.gz XJWVEWWAYVZYID-KLHDSHLOSA-N 2 1 354.495 0.009 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH+]3CCN(CCO)CC3)CC2)CC[N@H+]1C ZINC000996776402 666978796 /nfs/dbraw/zinc/97/87/96/666978796.db2.gz MQMGLLBKSWZEFX-AQEOSJORSA-N 2 1 352.523 0.364 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961664669 674785092 /nfs/dbraw/zinc/78/50/92/674785092.db2.gz FMFZIYRQSKRLHH-UUAJXVIYSA-N 2 1 350.507 0.584 20 0 FCADMP C[S@@](=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000735096225 667005458 /nfs/dbraw/zinc/00/54/58/667005458.db2.gz RIDNXQZYSWROOJ-XMMPIXPASA-N 2 1 353.492 0.271 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000917224708 667064837 /nfs/dbraw/zinc/06/48/37/667064837.db2.gz SRMYHDLISKNARC-RDJZCZTQSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000997597377 667166178 /nfs/dbraw/zinc/16/61/78/667166178.db2.gz UIZPWMKIZNRFAX-JJRVBVJISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000998796542 667221762 /nfs/dbraw/zinc/22/17/62/667221762.db2.gz PSBIUZHAXOIOAE-BLYZHGLHSA-N 2 1 350.467 0.555 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000998796542 667221764 /nfs/dbraw/zinc/22/17/64/667221764.db2.gz PSBIUZHAXOIOAE-BLYZHGLHSA-N 2 1 350.467 0.555 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000999188907 667229914 /nfs/dbraw/zinc/22/99/14/667229914.db2.gz FNXZKMVQTFTDMA-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000999188907 667229916 /nfs/dbraw/zinc/22/99/16/667229916.db2.gz FNXZKMVQTFTDMA-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[NH+]1CCC(NC(=S)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000920310009 667234887 /nfs/dbraw/zinc/23/48/87/667234887.db2.gz QNSICJAAKDLGJB-UHFFFAOYSA-N 2 1 367.563 0.585 20 0 FCADMP C[NH+]1CCC(NC(=S)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000920310009 667234891 /nfs/dbraw/zinc/23/48/91/667234891.db2.gz QNSICJAAKDLGJB-UHFFFAOYSA-N 2 1 367.563 0.585 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000999494050 667242106 /nfs/dbraw/zinc/24/21/06/667242106.db2.gz HPZFHTWFSCJSLH-VNHYZAJKSA-N 2 1 368.503 0.951 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000999494050 667242109 /nfs/dbraw/zinc/24/21/09/667242109.db2.gz HPZFHTWFSCJSLH-VNHYZAJKSA-N 2 1 368.503 0.951 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCF)C3)nn2)CC[N@@H+]1C ZINC000999987435 667259267 /nfs/dbraw/zinc/25/92/67/667259267.db2.gz OCGNCTMLCWEHLC-HRCADAONSA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCF)C3)nn2)CC[N@H+]1C ZINC000999987435 667259271 /nfs/dbraw/zinc/25/92/71/667259271.db2.gz OCGNCTMLCWEHLC-HRCADAONSA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)CC[NH+]1C ZINC000999987435 667259276 /nfs/dbraw/zinc/25/92/76/667259276.db2.gz OCGNCTMLCWEHLC-HRCADAONSA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)CC[NH+]1C ZINC000999987435 667259280 /nfs/dbraw/zinc/25/92/80/667259280.db2.gz OCGNCTMLCWEHLC-HRCADAONSA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC001002245181 667526062 /nfs/dbraw/zinc/52/60/62/667526062.db2.gz AWWMBYIYXHUKRU-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC001002245181 667526066 /nfs/dbraw/zinc/52/60/66/667526066.db2.gz AWWMBYIYXHUKRU-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC001002245181 667526070 /nfs/dbraw/zinc/52/60/70/667526070.db2.gz AWWMBYIYXHUKRU-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001002859920 667572326 /nfs/dbraw/zinc/57/23/26/667572326.db2.gz VBIQJFWIKQKEPW-ZNMIVQPWSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001033095362 667671259 /nfs/dbraw/zinc/67/12/59/667671259.db2.gz XXHPLMNTYNNILA-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001033095362 667671261 /nfs/dbraw/zinc/67/12/61/667671261.db2.gz XXHPLMNTYNNILA-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001033095362 667671263 /nfs/dbraw/zinc/67/12/63/667671263.db2.gz XXHPLMNTYNNILA-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001033095362 667671265 /nfs/dbraw/zinc/67/12/65/667671265.db2.gz XXHPLMNTYNNILA-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC(N)=O)CC2)CC[N@H+]1C ZINC001004450617 667687276 /nfs/dbraw/zinc/68/72/76/667687276.db2.gz NNTBOTRGXPUURV-GVDBMIGSSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)CC[NH+]1C ZINC001004450617 667687277 /nfs/dbraw/zinc/68/72/77/667687277.db2.gz NNTBOTRGXPUURV-GVDBMIGSSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC(N)=O)CC2)CC[NH+]1C ZINC001004450617 667687279 /nfs/dbraw/zinc/68/72/79/667687279.db2.gz NNTBOTRGXPUURV-GVDBMIGSSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2)[NH+](C)C ZINC001004952594 667719417 /nfs/dbraw/zinc/71/94/17/667719417.db2.gz LZTMZPKDBLIVEZ-NQNKBUKLSA-N 2 1 350.507 0.915 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033834087 667739058 /nfs/dbraw/zinc/73/90/58/667739058.db2.gz NMYFUWXMTZXJPL-BZUAXINKSA-N 2 1 351.495 0.275 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001033834087 667739061 /nfs/dbraw/zinc/73/90/61/667739061.db2.gz NMYFUWXMTZXJPL-BZUAXINKSA-N 2 1 351.495 0.275 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001033834087 667739063 /nfs/dbraw/zinc/73/90/63/667739063.db2.gz NMYFUWXMTZXJPL-BZUAXINKSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001036603962 667791799 /nfs/dbraw/zinc/79/17/99/667791799.db2.gz VSGDETWYCWVPDJ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@H+](C)[C@H]3CCNC3=O)CC2)CC[NH+]1C ZINC001036603962 667791803 /nfs/dbraw/zinc/79/18/03/667791803.db2.gz VSGDETWYCWVPDJ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@@H+](C)[C@H]3CCNC3=O)CC2)CC[NH+]1C ZINC001036603962 667791806 /nfs/dbraw/zinc/79/18/06/667791806.db2.gz VSGDETWYCWVPDJ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280899 667821970 /nfs/dbraw/zinc/82/19/70/667821970.db2.gz LSBBLQAYQBPYFW-UKRRQHHQSA-N 2 1 355.866 0.867 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923365636 667827902 /nfs/dbraw/zinc/82/79/02/667827902.db2.gz GQPWCUQPEOVQAB-RYUDHWBXSA-N 2 1 351.216 0.579 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923365636 667827905 /nfs/dbraw/zinc/82/79/05/667827905.db2.gz GQPWCUQPEOVQAB-RYUDHWBXSA-N 2 1 351.216 0.579 20 0 FCADMP Cc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC000961987610 674852914 /nfs/dbraw/zinc/85/29/14/674852914.db2.gz BLJORRPISBLCIB-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC000961987610 674852916 /nfs/dbraw/zinc/85/29/16/674852916.db2.gz BLJORRPISBLCIB-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=S)NCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000760504807 667851877 /nfs/dbraw/zinc/85/18/77/667851877.db2.gz XNRUWAVVGHAFAH-AWEZNQCLSA-N 2 1 356.536 0.772 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=S)NCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000760504807 667851882 /nfs/dbraw/zinc/85/18/82/667851882.db2.gz XNRUWAVVGHAFAH-AWEZNQCLSA-N 2 1 356.536 0.772 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000770124238 668174360 /nfs/dbraw/zinc/17/43/60/668174360.db2.gz PQALPXNUCWXLOF-UAGQMJEPSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770124238 668174363 /nfs/dbraw/zinc/17/43/63/668174363.db2.gz PQALPXNUCWXLOF-UAGQMJEPSA-N 2 1 354.495 0.648 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000788609839 668834706 /nfs/dbraw/zinc/83/47/06/668834706.db2.gz HXGPQMPDJMKJRN-CVEARBPZSA-N 2 1 353.488 0.890 20 0 FCADMP C[NH+](C)Cc1cnc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000809591056 669633504 /nfs/dbraw/zinc/63/35/04/669633504.db2.gz UZDWFYJXFWMQDD-OAHLLOKOSA-N 2 1 351.520 0.943 20 0 FCADMP C[NH+](C)Cc1cnc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000809591056 669633508 /nfs/dbraw/zinc/63/35/08/669633508.db2.gz UZDWFYJXFWMQDD-OAHLLOKOSA-N 2 1 351.520 0.943 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362930 670806946 /nfs/dbraw/zinc/80/69/46/670806946.db2.gz VIUDKVBIKSIWMR-OLZOCXBDSA-N 2 1 351.451 0.332 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000843367215 670808270 /nfs/dbraw/zinc/80/82/70/670808270.db2.gz BCZJDFGHVHTFEO-IMJJTQAJSA-N 2 1 352.479 0.783 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000843367215 670808277 /nfs/dbraw/zinc/80/82/77/670808277.db2.gz BCZJDFGHVHTFEO-IMJJTQAJSA-N 2 1 352.479 0.783 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000843833966 670861413 /nfs/dbraw/zinc/86/14/13/670861413.db2.gz LXYZQVKKHAVQBB-WRQOLXDDSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000843833966 670861415 /nfs/dbraw/zinc/86/14/15/670861415.db2.gz LXYZQVKKHAVQBB-WRQOLXDDSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000843833966 670861418 /nfs/dbraw/zinc/86/14/18/670861418.db2.gz LXYZQVKKHAVQBB-WRQOLXDDSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000968016311 675178562 /nfs/dbraw/zinc/17/85/62/675178562.db2.gz WZACKDUZHHUGGH-ZMSDIMECSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000968016311 675178566 /nfs/dbraw/zinc/17/85/66/675178566.db2.gz WZACKDUZHHUGGH-ZMSDIMECSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000968016311 675178569 /nfs/dbraw/zinc/17/85/69/675178569.db2.gz WZACKDUZHHUGGH-ZMSDIMECSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001048829864 675899504 /nfs/dbraw/zinc/89/95/04/675899504.db2.gz AHGAHKURZOABJK-ZOFXXKQRSA-N 2 1 350.507 0.584 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001048829864 675899505 /nfs/dbraw/zinc/89/95/05/675899505.db2.gz AHGAHKURZOABJK-ZOFXXKQRSA-N 2 1 350.507 0.584 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001048829864 675899506 /nfs/dbraw/zinc/89/95/06/675899506.db2.gz AHGAHKURZOABJK-ZOFXXKQRSA-N 2 1 350.507 0.584 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891060 675906389 /nfs/dbraw/zinc/90/63/89/675906389.db2.gz KGLZFQNTHYPKGT-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891060 675906390 /nfs/dbraw/zinc/90/63/90/675906390.db2.gz KGLZFQNTHYPKGT-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891060 675906391 /nfs/dbraw/zinc/90/63/91/675906391.db2.gz KGLZFQNTHYPKGT-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891060 675906393 /nfs/dbraw/zinc/90/63/93/675906393.db2.gz KGLZFQNTHYPKGT-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000853347847 671546698 /nfs/dbraw/zinc/54/66/98/671546698.db2.gz RSUVFKQMRQTFDK-HOTGVXAUSA-N 2 1 355.527 0.768 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCOC(=O)N(C)C)CC2)CC1 ZINC000855646614 671657298 /nfs/dbraw/zinc/65/72/98/671657298.db2.gz VGFXXBOOTFSIBS-UHFFFAOYSA-N 2 1 354.495 0.997 20 0 FCADMP C[Si](C)(CC[NH+]1CCOC[C@@H]1CCO)CC[N@H+]1CCOC[C@@H]1CCO ZINC000859216452 671801784 /nfs/dbraw/zinc/80/17/84/671801784.db2.gz JLXATLFCKGUHAF-ROUUACIJSA-N 2 1 374.598 0.861 20 0 FCADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000859243328 671803604 /nfs/dbraw/zinc/80/36/04/671803604.db2.gz ASSDYGVOMJOWRH-ROUUACIJSA-N 2 1 374.598 0.861 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC001049483529 675950523 /nfs/dbraw/zinc/95/05/23/675950523.db2.gz YITVSDGBAXFMAC-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483529 675950524 /nfs/dbraw/zinc/95/05/24/675950524.db2.gz YITVSDGBAXFMAC-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483529 675950525 /nfs/dbraw/zinc/95/05/25/675950525.db2.gz YITVSDGBAXFMAC-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC001049483528 675950590 /nfs/dbraw/zinc/95/05/90/675950590.db2.gz YITVSDGBAXFMAC-HZMVEIRTSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483528 675950591 /nfs/dbraw/zinc/95/05/91/675950591.db2.gz YITVSDGBAXFMAC-HZMVEIRTSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483528 675950594 /nfs/dbraw/zinc/95/05/94/675950594.db2.gz YITVSDGBAXFMAC-HZMVEIRTSA-N 2 1 350.507 0.870 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)C[C@H]1C ZINC000864792488 672211071 /nfs/dbraw/zinc/21/10/71/672211071.db2.gz ZMJCLRILKPDJED-IJEWVQPXSA-N 2 1 350.467 0.513 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)C[C@H]1C ZINC000864792488 672211072 /nfs/dbraw/zinc/21/10/72/672211072.db2.gz ZMJCLRILKPDJED-IJEWVQPXSA-N 2 1 350.467 0.513 20 0 FCADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865451171 672243189 /nfs/dbraw/zinc/24/31/89/672243189.db2.gz KBQYFHAIKDBYMI-SFHVURJKSA-N 2 1 350.511 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(C)(F)F)CC2)CC[N@@H+]1C ZINC001055494445 676021367 /nfs/dbraw/zinc/02/13/67/676021367.db2.gz KEUZQULXPZTXJI-TZMCWYRMSA-N 2 1 360.449 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(C)(F)F)CC2)CC[N@H+]1C ZINC001055494445 676021369 /nfs/dbraw/zinc/02/13/69/676021369.db2.gz KEUZQULXPZTXJI-TZMCWYRMSA-N 2 1 360.449 0.679 20 0 FCADMP COC(=O)CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600884 672563916 /nfs/dbraw/zinc/56/39/16/672563916.db2.gz FUKDDVCTEJSBHK-HUUCEWRRSA-N 2 1 353.463 0.731 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@H](C)C(=O)N(C)C)CC2)CC[N@H+]1C ZINC001000706255 676060042 /nfs/dbraw/zinc/06/00/42/676060042.db2.gz ZGJJRLWRWULQTG-HYVNUMGLSA-N 2 1 350.507 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)CC[NH+]1C ZINC001000706255 676060044 /nfs/dbraw/zinc/06/00/44/676060044.db2.gz ZGJJRLWRWULQTG-HYVNUMGLSA-N 2 1 350.507 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+]([C@H](C)C(=O)N(C)C)CC2)CC[NH+]1C ZINC001000706255 676060045 /nfs/dbraw/zinc/06/00/45/676060045.db2.gz ZGJJRLWRWULQTG-HYVNUMGLSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000875132986 672836383 /nfs/dbraw/zinc/83/63/83/672836383.db2.gz GMANHQKXILNQHO-INIZCTEOSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001050328919 676081856 /nfs/dbraw/zinc/08/18/56/676081856.db2.gz PBEAHFYGDVYERY-HHARLNAUSA-N 2 1 350.507 0.870 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876780661 672979730 /nfs/dbraw/zinc/97/97/30/672979730.db2.gz HXVFLNHBMFRLRX-HUUCEWRRSA-N 2 1 350.442 0.053 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876780659 672979744 /nfs/dbraw/zinc/97/97/44/672979744.db2.gz HXVFLNHBMFRLRX-CABCVRRESA-N 2 1 350.442 0.053 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524146 676085525 /nfs/dbraw/zinc/08/55/25/676085525.db2.gz UOQIIPRIGONFIS-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC001051623918 676106688 /nfs/dbraw/zinc/10/66/88/676106688.db2.gz KKZZFQSKBWAAAU-HZSPNIEDSA-N 2 1 353.492 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC001051623918 676106689 /nfs/dbraw/zinc/10/66/89/676106689.db2.gz KKZZFQSKBWAAAU-HZSPNIEDSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@H]([NH3+])c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000881088310 673216128 /nfs/dbraw/zinc/21/61/28/673216128.db2.gz GWULSURTBVLVOZ-AWEZNQCLSA-N 2 1 350.467 0.449 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001052395350 676122740 /nfs/dbraw/zinc/12/27/40/676122740.db2.gz QGEBAEMTJKCHQN-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001052395350 676122744 /nfs/dbraw/zinc/12/27/44/676122744.db2.gz QGEBAEMTJKCHQN-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001052395350 676122747 /nfs/dbraw/zinc/12/27/47/676122747.db2.gz QGEBAEMTJKCHQN-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001052395350 676122750 /nfs/dbraw/zinc/12/27/50/676122750.db2.gz QGEBAEMTJKCHQN-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883035561 673364170 /nfs/dbraw/zinc/36/41/70/673364170.db2.gz HRAGBSHQCWREOU-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883139164 673367978 /nfs/dbraw/zinc/36/79/78/673367978.db2.gz CMXHAXIOJIYPJX-QGZVFWFLSA-N 2 1 356.511 0.897 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883385696 673372803 /nfs/dbraw/zinc/37/28/03/673372803.db2.gz QWARWNQILFKHRS-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000883694157 673391398 /nfs/dbraw/zinc/39/13/98/673391398.db2.gz VJTQOLZULQDOQY-UYTSQGDYSA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000883694157 673391403 /nfs/dbraw/zinc/39/14/03/673391403.db2.gz VJTQOLZULQDOQY-UYTSQGDYSA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000883694157 673391408 /nfs/dbraw/zinc/39/14/08/673391408.db2.gz VJTQOLZULQDOQY-UYTSQGDYSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884493793 673457175 /nfs/dbraw/zinc/45/71/75/673457175.db2.gz CJOBGTIGOYNNHC-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000884554305 673461588 /nfs/dbraw/zinc/46/15/88/673461588.db2.gz QPYWSFNEOPJDED-BIENJYKASA-N 2 1 350.507 0.951 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884576176 673463313 /nfs/dbraw/zinc/46/33/13/673463313.db2.gz BKBHGEZIMFDPQI-QFBILLFUSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884576598 673463625 /nfs/dbraw/zinc/46/36/25/673463625.db2.gz LDNMDLSSCVQQNP-UPJWGTAASA-N 2 1 364.412 0.430 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884587534 673464165 /nfs/dbraw/zinc/46/41/65/673464165.db2.gz KYNCYPWPTZKUDF-SFHVURJKSA-N 2 1 354.495 0.063 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884597844 673464807 /nfs/dbraw/zinc/46/48/07/673464807.db2.gz LTINBMJVEOWFRK-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603570 673465078 /nfs/dbraw/zinc/46/50/78/673465078.db2.gz MEQNUDBBZQLIMF-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603573 673465500 /nfs/dbraw/zinc/46/55/00/673465500.db2.gz MEQNUDBBZQLIMF-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884627096 673467239 /nfs/dbraw/zinc/46/72/39/673467239.db2.gz DOFYIMVDHCTEFU-AUUYWEPGSA-N 2 1 350.507 0.810 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000884640346 673469012 /nfs/dbraw/zinc/46/90/12/673469012.db2.gz BKXSHDBAXQMRRO-YPMHNXCESA-N 2 1 364.412 0.573 20 0 FCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000884652574 673469836 /nfs/dbraw/zinc/46/98/36/673469836.db2.gz YCGJDKXJEFQERR-GOSISDBHSA-N 2 1 354.495 0.048 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC[C@H]21 ZINC000885286348 673512480 /nfs/dbraw/zinc/51/24/80/673512480.db2.gz WOAAXJBOYJCJDH-MGPQQGTHSA-N 2 1 358.433 0.290 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000887068758 673618477 /nfs/dbraw/zinc/61/84/77/673618477.db2.gz RHPJFZMXHDNFPF-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000887068758 673618478 /nfs/dbraw/zinc/61/84/78/673618478.db2.gz RHPJFZMXHDNFPF-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[N@H+]1CCN(CCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1(C)C ZINC000925306325 673786400 /nfs/dbraw/zinc/78/64/00/673786400.db2.gz GMOAFIROAMLBPA-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000925354767 673788853 /nfs/dbraw/zinc/78/88/53/673788853.db2.gz LIQBSKDPKJCGME-HUUCEWRRSA-N 2 1 351.495 0.594 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000929735408 673973957 /nfs/dbraw/zinc/97/39/57/673973957.db2.gz ZPFYMMDVTUPDCJ-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000929735408 673973959 /nfs/dbraw/zinc/97/39/59/673973959.db2.gz ZPFYMMDVTUPDCJ-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)N2CCC2)CC[N@H+]1C ZINC000968866620 675242177 /nfs/dbraw/zinc/24/21/77/675242177.db2.gz KZYBGLMOHCKESC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC000968866620 675242179 /nfs/dbraw/zinc/24/21/79/675242179.db2.gz KZYBGLMOHCKESC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC000968866620 675242181 /nfs/dbraw/zinc/24/21/81/675242181.db2.gz KZYBGLMOHCKESC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000969071838 675268167 /nfs/dbraw/zinc/26/81/67/675268167.db2.gz JCROYISBWYDMNT-YRGRVCCFSA-N 2 1 354.476 0.561 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000969071838 675268171 /nfs/dbraw/zinc/26/81/71/675268171.db2.gz JCROYISBWYDMNT-YRGRVCCFSA-N 2 1 354.476 0.561 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001011211560 675377388 /nfs/dbraw/zinc/37/73/88/675377388.db2.gz AOWSWWTZAFLPOB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC001011211560 675377390 /nfs/dbraw/zinc/37/73/90/675377390.db2.gz AOWSWWTZAFLPOB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC001011211560 675377392 /nfs/dbraw/zinc/37/73/92/675377392.db2.gz AOWSWWTZAFLPOB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014925805 675393354 /nfs/dbraw/zinc/39/33/54/675393354.db2.gz SAIRASSZGFYSFM-VHDGCEQUSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014925805 675393357 /nfs/dbraw/zinc/39/33/57/675393357.db2.gz SAIRASSZGFYSFM-VHDGCEQUSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925805 675393362 /nfs/dbraw/zinc/39/33/62/675393362.db2.gz SAIRASSZGFYSFM-VHDGCEQUSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925805 675393366 /nfs/dbraw/zinc/39/33/66/675393366.db2.gz SAIRASSZGFYSFM-VHDGCEQUSA-N 2 1 352.504 0.904 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001016580845 675402735 /nfs/dbraw/zinc/40/27/35/675402735.db2.gz JARCJEYFHLJAED-SJJHQCBESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001018873678 675418364 /nfs/dbraw/zinc/41/83/64/675418364.db2.gz UZFRAGSLNNGAEA-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001020171292 675436518 /nfs/dbraw/zinc/43/65/18/675436518.db2.gz VUALUKQCFRJLFR-DHGKCCLASA-N 2 1 351.451 0.854 20 0 FCADMP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001020171292 675436522 /nfs/dbraw/zinc/43/65/22/675436522.db2.gz VUALUKQCFRJLFR-DHGKCCLASA-N 2 1 351.451 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001045443330 675653800 /nfs/dbraw/zinc/65/38/00/675653800.db2.gz LBHDOOUTAXVTAH-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CCO2)CC1 ZINC000900596263 675697979 /nfs/dbraw/zinc/69/79/79/675697979.db2.gz ACHOWJFMEYSGJZ-RCCFBDPRSA-N 2 1 350.507 0.478 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900694250 675708425 /nfs/dbraw/zinc/70/84/25/675708425.db2.gz BZYKSDLRNYHNRF-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001046329474 675708818 /nfs/dbraw/zinc/70/88/18/675708818.db2.gz PZYIRQOWYGPWGF-OGWOLHLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001046329474 675708821 /nfs/dbraw/zinc/70/88/21/675708821.db2.gz PZYIRQOWYGPWGF-OGWOLHLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001046329474 675708824 /nfs/dbraw/zinc/70/88/24/675708824.db2.gz PZYIRQOWYGPWGF-OGWOLHLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001046329474 675708829 /nfs/dbraw/zinc/70/88/29/675708829.db2.gz PZYIRQOWYGPWGF-OGWOLHLISA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001046329950 675708886 /nfs/dbraw/zinc/70/88/86/675708886.db2.gz DFVKJOQHNQSRLS-DAYGRLMNSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001046329950 675708888 /nfs/dbraw/zinc/70/88/88/675708888.db2.gz DFVKJOQHNQSRLS-DAYGRLMNSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001046329950 675708889 /nfs/dbraw/zinc/70/88/89/675708889.db2.gz DFVKJOQHNQSRLS-DAYGRLMNSA-N 2 1 351.495 0.323 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000900754522 675714108 /nfs/dbraw/zinc/71/41/08/675714108.db2.gz KJNRDGXPAMEMRX-OAHLLOKOSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000900754522 675714111 /nfs/dbraw/zinc/71/41/11/675714111.db2.gz KJNRDGXPAMEMRX-OAHLLOKOSA-N 2 1 355.479 0.225 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)[C@H](C)C1 ZINC000901323120 675782133 /nfs/dbraw/zinc/78/21/33/675782133.db2.gz TXZSKXIXUZDTNI-CQSZACIVSA-N 2 1 351.451 0.154 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)[C@H](C)C1 ZINC000901323120 675782139 /nfs/dbraw/zinc/78/21/39/675782139.db2.gz TXZSKXIXUZDTNI-CQSZACIVSA-N 2 1 351.451 0.154 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3cncn3C)[C@H]2C)CC[N@H+]1C ZINC001020473573 1167892565 /nfs/dbraw/zinc/89/25/65/1167892565.db2.gz ICACBGLAIOPBTP-WTTBNOFXSA-N 2 1 361.490 0.799 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2ccnc2)CC[N@H+]1C ZINC000969464196 1167967663 /nfs/dbraw/zinc/96/76/63/1167967663.db2.gz HXSIGJFNLOBFEY-WCXIOVBPSA-N 2 1 359.474 0.815 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969512682 1167998904 /nfs/dbraw/zinc/99/89/04/1167998904.db2.gz VSNTVFJZRPETDC-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614097 1168161345 /nfs/dbraw/zinc/16/13/45/1168161345.db2.gz JFRPJUADWIKARP-IEWDOMPSSA-N 2 1 370.497 0.847 20 0 FCADMP CCNC(=O)CN(CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001266417717 1168422704 /nfs/dbraw/zinc/42/27/04/1168422704.db2.gz FTOZIADOHMEULR-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001266417717 1168422707 /nfs/dbraw/zinc/42/27/07/1168422707.db2.gz FTOZIADOHMEULR-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001266417717 1168422710 /nfs/dbraw/zinc/42/27/10/1168422710.db2.gz FTOZIADOHMEULR-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266417717 1168422714 /nfs/dbraw/zinc/42/27/14/1168422714.db2.gz FTOZIADOHMEULR-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001266417717 1168422717 /nfs/dbraw/zinc/42/27/17/1168422717.db2.gz FTOZIADOHMEULR-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000970635919 1169219339 /nfs/dbraw/zinc/21/93/39/1169219339.db2.gz KCOGISATXPHXGR-XKQJLSEDSA-N 2 1 371.441 0.120 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294629 1169693309 /nfs/dbraw/zinc/69/33/09/1169693309.db2.gz UOJZGBIWSPYDMC-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104294664 1169695634 /nfs/dbraw/zinc/69/56/34/1169695634.db2.gz WVHJHYVMVYUXGV-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104311244 1169885044 /nfs/dbraw/zinc/88/50/44/1169885044.db2.gz YRHRMDKSIFBDMZ-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104311243 1169885155 /nfs/dbraw/zinc/88/51/55/1169885155.db2.gz YRHRMDKSIFBDMZ-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)C1 ZINC001021699846 1169894114 /nfs/dbraw/zinc/89/41/14/1169894114.db2.gz YGKCZMNGQLGPLE-XYJFISCASA-N 2 1 367.453 0.959 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704399 1169899629 /nfs/dbraw/zinc/89/96/29/1169899629.db2.gz QKAVBHDBWVGGGE-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704399 1169899630 /nfs/dbraw/zinc/89/96/30/1169899630.db2.gz QKAVBHDBWVGGGE-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704399 1169899631 /nfs/dbraw/zinc/89/96/31/1169899631.db2.gz QKAVBHDBWVGGGE-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC001021708285 1169907392 /nfs/dbraw/zinc/90/73/92/1169907392.db2.gz BCIDJBPYSCGJBH-GVDBMIGSSA-N 2 1 371.485 0.916 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365880 1170074775 /nfs/dbraw/zinc/07/47/75/1170074775.db2.gz QSWBPCZUQKSWKG-XZDPQHSOSA-N 2 1 363.462 0.047 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001021941451 1170328128 /nfs/dbraw/zinc/32/81/28/1170328128.db2.gz MDQUTTWXYAGPMC-KVSKMBFKSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941673 1170330599 /nfs/dbraw/zinc/33/05/99/1170330599.db2.gz QJTSVBKIJRKAFM-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941673 1170330610 /nfs/dbraw/zinc/33/06/10/1170330610.db2.gz QJTSVBKIJRKAFM-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941673 1170330618 /nfs/dbraw/zinc/33/06/18/1170330618.db2.gz QJTSVBKIJRKAFM-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]32)cn1 ZINC001083221000 1170583646 /nfs/dbraw/zinc/58/36/46/1170583646.db2.gz FJYMALQELNXPRB-ZWKOTPCHSA-N 2 1 361.490 0.770 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)CN1CC[NH+](C)CC1 ZINC000891602704 1170711539 /nfs/dbraw/zinc/71/15/39/1170711539.db2.gz LLTYBUBUJNIMPG-QFBILLFUSA-N 2 1 359.518 0.884 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022212360 1170750533 /nfs/dbraw/zinc/75/05/33/1170750533.db2.gz AJCKUYLJUSSUPY-YQQAZPJKSA-N 2 1 359.474 0.506 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022217307 1170765046 /nfs/dbraw/zinc/76/50/46/1170765046.db2.gz JYQIKBAHPLFSAX-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022219213 1170765978 /nfs/dbraw/zinc/76/59/78/1170765978.db2.gz LQQAGFFOGANPRA-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217639 1170767489 /nfs/dbraw/zinc/76/74/89/1170767489.db2.gz SUEQXRXNZMXAQX-JKSUJKDBSA-N 2 1 357.458 0.347 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782346 1170823340 /nfs/dbraw/zinc/82/33/40/1170823340.db2.gz UFURGTBTMKCFPK-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782346 1170823342 /nfs/dbraw/zinc/82/33/42/1170823342.db2.gz UFURGTBTMKCFPK-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782346 1170823343 /nfs/dbraw/zinc/82/33/43/1170823343.db2.gz UFURGTBTMKCFPK-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782346 1170823346 /nfs/dbraw/zinc/82/33/46/1170823346.db2.gz UFURGTBTMKCFPK-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782346 1170823352 /nfs/dbraw/zinc/82/33/52/1170823352.db2.gz UFURGTBTMKCFPK-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782345 1170823432 /nfs/dbraw/zinc/82/34/32/1170823432.db2.gz UFURGTBTMKCFPK-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782345 1170823435 /nfs/dbraw/zinc/82/34/35/1170823435.db2.gz UFURGTBTMKCFPK-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782345 1170823438 /nfs/dbraw/zinc/82/34/38/1170823438.db2.gz UFURGTBTMKCFPK-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782345 1170823439 /nfs/dbraw/zinc/82/34/39/1170823439.db2.gz UFURGTBTMKCFPK-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)c(=O)c3)C2)O1 ZINC000971782345 1170823443 /nfs/dbraw/zinc/82/34/43/1170823443.db2.gz UFURGTBTMKCFPK-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC001022275080 1170824192 /nfs/dbraw/zinc/82/41/92/1170824192.db2.gz HLKXIRZXTVNHHM-GMLZMKKNSA-N 2 1 365.449 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC001022275080 1170824195 /nfs/dbraw/zinc/82/41/95/1170824195.db2.gz HLKXIRZXTVNHHM-GMLZMKKNSA-N 2 1 365.449 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)O1 ZINC001022277224 1170824982 /nfs/dbraw/zinc/82/49/82/1170824982.db2.gz YRZKIYUCGPVFQF-DMRKSPOLSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)O1 ZINC001022277224 1170824983 /nfs/dbraw/zinc/82/49/83/1170824983.db2.gz YRZKIYUCGPVFQF-DMRKSPOLSA-N 2 1 366.506 0.343 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC001083224747 1170838485 /nfs/dbraw/zinc/83/84/85/1170838485.db2.gz OUBKHIURCGOTNQ-FGTMMUONSA-N 2 1 367.490 0.047 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC001083224747 1170838489 /nfs/dbraw/zinc/83/84/89/1170838489.db2.gz OUBKHIURCGOTNQ-FGTMMUONSA-N 2 1 367.490 0.047 20 0 FCADMP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000891762956 1170850031 /nfs/dbraw/zinc/85/00/31/1170850031.db2.gz VGTFMWCIGRCHNL-DLBZAZTESA-N 2 1 373.505 0.334 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000891762956 1170850034 /nfs/dbraw/zinc/85/00/34/1170850034.db2.gz VGTFMWCIGRCHNL-DLBZAZTESA-N 2 1 373.505 0.334 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001691232128 1170875907 /nfs/dbraw/zinc/87/59/07/1170875907.db2.gz OQHGXGRJHILICT-GVDBMIGSSA-N 2 1 365.522 0.761 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000891830651 1170892440 /nfs/dbraw/zinc/89/24/40/1170892440.db2.gz SQDVGWCYZUFILX-INIZCTEOSA-N 2 1 360.506 0.974 20 0 FCADMP CN(C)c1noc(CN[C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001691263565 1170984238 /nfs/dbraw/zinc/98/42/38/1170984238.db2.gz WNQAUXKHDYMMGX-RRFJBIMHSA-N 2 1 364.494 0.852 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001691263565 1170984247 /nfs/dbraw/zinc/98/42/47/1170984247.db2.gz WNQAUXKHDYMMGX-RRFJBIMHSA-N 2 1 364.494 0.852 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001691263565 1170984273 /nfs/dbraw/zinc/98/42/73/1170984273.db2.gz WNQAUXKHDYMMGX-RRFJBIMHSA-N 2 1 364.494 0.852 20 0 FCADMP CCOC(=O)N1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000129601713 1171203207 /nfs/dbraw/zinc/20/32/07/1171203207.db2.gz XUNPOZCWCLEODZ-UHFFFAOYSA-N 2 1 362.478 0.939 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891952839 1171218875 /nfs/dbraw/zinc/21/88/75/1171218875.db2.gz KRRSPUKURBCOII-BJWYYQGGSA-N 2 1 366.506 0.698 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001691378838 1171236990 /nfs/dbraw/zinc/23/69/90/1171236990.db2.gz RBROZMGQSWBFRC-ILXRZTDVSA-N 2 1 369.510 0.389 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001691384353 1171249892 /nfs/dbraw/zinc/24/98/92/1171249892.db2.gz NOVLJUIXLLSHQX-CABCVRRESA-N 2 1 369.510 0.389 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]32)CC1 ZINC001083230848 1171292408 /nfs/dbraw/zinc/29/24/08/1171292408.db2.gz VOOUSYDISGGIAL-ZWKOTPCHSA-N 2 1 361.490 0.527 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]32)CC1 ZINC001083230848 1171292426 /nfs/dbraw/zinc/29/24/26/1171292426.db2.gz VOOUSYDISGGIAL-ZWKOTPCHSA-N 2 1 361.490 0.527 20 0 FCADMP NC(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999355 1171457528 /nfs/dbraw/zinc/45/75/28/1171457528.db2.gz BLPOZFDEZBFHBM-QWHCGFSZSA-N 2 1 371.489 0.873 20 0 FCADMP NC(=O)c1cc(N[C@H]2CC[NH+](C3CC3)C2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000891999355 1171457541 /nfs/dbraw/zinc/45/75/41/1171457541.db2.gz BLPOZFDEZBFHBM-QWHCGFSZSA-N 2 1 371.489 0.873 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456041 1192481473 /nfs/dbraw/zinc/48/14/73/1192481473.db2.gz DRRVDOOIZHQDKA-QYZOEREBSA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456041 1192481478 /nfs/dbraw/zinc/48/14/78/1192481478.db2.gz DRRVDOOIZHQDKA-QYZOEREBSA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456041 1192481486 /nfs/dbraw/zinc/48/14/86/1192481486.db2.gz DRRVDOOIZHQDKA-QYZOEREBSA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456041 1192481492 /nfs/dbraw/zinc/48/14/92/1192481492.db2.gz DRRVDOOIZHQDKA-QYZOEREBSA-N 2 1 361.486 0.713 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022717617 1171808653 /nfs/dbraw/zinc/80/86/53/1171808653.db2.gz GIXCPCGGTUCZJT-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022717617 1171808655 /nfs/dbraw/zinc/80/86/55/1171808655.db2.gz GIXCPCGGTUCZJT-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC000972236448 1171873829 /nfs/dbraw/zinc/87/38/29/1171873829.db2.gz DWFJFWWZFZBWDD-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000972257825 1171893330 /nfs/dbraw/zinc/89/33/30/1171893330.db2.gz VQBQLNTXCRMYRI-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000972257825 1171893332 /nfs/dbraw/zinc/89/33/32/1171893332.db2.gz VQBQLNTXCRMYRI-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001104421091 1171931474 /nfs/dbraw/zinc/93/14/74/1171931474.db2.gz BEXSAZOVBVCCHV-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CCC1 ZINC001083249499 1172019575 /nfs/dbraw/zinc/01/95/75/1172019575.db2.gz HXZAQRAVUCIKBQ-OKZBNKHCSA-N 2 1 363.502 0.809 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249650 1172025932 /nfs/dbraw/zinc/02/59/32/1172025932.db2.gz PPPVBTOUGYJQLM-ZWKOTPCHSA-N 2 1 356.470 0.897 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249650 1172025940 /nfs/dbraw/zinc/02/59/40/1172025940.db2.gz PPPVBTOUGYJQLM-ZWKOTPCHSA-N 2 1 356.470 0.897 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087226345 1172077448 /nfs/dbraw/zinc/07/74/48/1172077448.db2.gz PLSVSENXTLBENF-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001087226499 1172079787 /nfs/dbraw/zinc/07/97/87/1172079787.db2.gz YNDIGFIAZUYYGK-AEFFLSMTSA-N 2 1 363.506 0.859 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC000972423118 1172116912 /nfs/dbraw/zinc/11/69/12/1172116912.db2.gz LPPLRJBZLVMAGD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC000972423118 1172116918 /nfs/dbraw/zinc/11/69/18/1172116918.db2.gz LPPLRJBZLVMAGD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC000972423118 1172116930 /nfs/dbraw/zinc/11/69/30/1172116930.db2.gz LPPLRJBZLVMAGD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000988810261 1192518490 /nfs/dbraw/zinc/51/84/90/1192518490.db2.gz CEZMIRZZCRLACU-NFAWXSAZSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988810261 1192518495 /nfs/dbraw/zinc/51/84/95/1192518495.db2.gz CEZMIRZZCRLACU-NFAWXSAZSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000989071176 1192673162 /nfs/dbraw/zinc/67/31/62/1192673162.db2.gz FHAXPMFVPNJWJR-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000989071176 1192673164 /nfs/dbraw/zinc/67/31/64/1192673164.db2.gz FHAXPMFVPNJWJR-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000989071176 1192673167 /nfs/dbraw/zinc/67/31/67/1192673167.db2.gz FHAXPMFVPNJWJR-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000989071176 1192673168 /nfs/dbraw/zinc/67/31/68/1192673168.db2.gz FHAXPMFVPNJWJR-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001272197280 1192837887 /nfs/dbraw/zinc/83/78/87/1192837887.db2.gz ATPLDBZUKOETTJ-IYBDPMFKSA-N 2 1 361.490 0.704 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001272197280 1192837888 /nfs/dbraw/zinc/83/78/88/1192837888.db2.gz ATPLDBZUKOETTJ-IYBDPMFKSA-N 2 1 361.490 0.704 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897632232 1192838150 /nfs/dbraw/zinc/83/81/50/1192838150.db2.gz MKENGGFKYCSVGJ-HZPDHXFCSA-N 2 1 361.490 0.965 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897863618 1192848726 /nfs/dbraw/zinc/84/87/26/1192848726.db2.gz GAPNKZPUBYJPPK-RTBURBONSA-N 2 1 359.470 0.243 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000898005884 1192853659 /nfs/dbraw/zinc/85/36/59/1192853659.db2.gz KVDNNSFZTLMYMB-VKJFTORMSA-N 2 1 371.485 0.718 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001691554198 1192874226 /nfs/dbraw/zinc/87/42/26/1192874226.db2.gz XZFCNXFMMNMKLF-ZWKOTPCHSA-N 2 1 358.486 0.755 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001691554198 1192874227 /nfs/dbraw/zinc/87/42/27/1192874227.db2.gz XZFCNXFMMNMKLF-ZWKOTPCHSA-N 2 1 358.486 0.755 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)CC[C@@H]2C1 ZINC001691570557 1192887387 /nfs/dbraw/zinc/88/73/87/1192887387.db2.gz JQECQGMYFGOTOR-SQNIBIBYSA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001691573155 1192888964 /nfs/dbraw/zinc/88/89/64/1192888964.db2.gz LNMLWRCCQVCNGM-MSOLQXFVSA-N 2 1 353.507 0.508 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000892329076 1178880159 /nfs/dbraw/zinc/88/01/59/1178880159.db2.gz BUHOZYZUOYCDQE-KRWDZBQOSA-N 2 1 371.485 0.438 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001023377595 1179492777 /nfs/dbraw/zinc/49/27/77/1179492777.db2.gz QVGWMOJLAACGEX-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001023377595 1179492795 /nfs/dbraw/zinc/49/27/95/1179492795.db2.gz QVGWMOJLAACGEX-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001023377595 1179492803 /nfs/dbraw/zinc/49/28/03/1179492803.db2.gz QVGWMOJLAACGEX-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444148 1179745458 /nfs/dbraw/zinc/74/54/58/1179745458.db2.gz DOEIOQVCKRURRR-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444148 1179745475 /nfs/dbraw/zinc/74/54/75/1179745475.db2.gz DOEIOQVCKRURRR-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444148 1179745492 /nfs/dbraw/zinc/74/54/92/1179745492.db2.gz DOEIOQVCKRURRR-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444148 1179745506 /nfs/dbraw/zinc/74/55/06/1179745506.db2.gz DOEIOQVCKRURRR-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605398 1179929147 /nfs/dbraw/zinc/92/91/47/1179929147.db2.gz YQIUKMVHXLNVAL-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605398 1179929156 /nfs/dbraw/zinc/92/91/56/1179929156.db2.gz YQIUKMVHXLNVAL-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605398 1179929163 /nfs/dbraw/zinc/92/91/63/1179929163.db2.gz YQIUKMVHXLNVAL-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605398 1179929173 /nfs/dbraw/zinc/92/91/73/1179929173.db2.gz YQIUKMVHXLNVAL-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087246645 1179976179 /nfs/dbraw/zinc/97/61/79/1179976179.db2.gz YLSGLDDHHWOYHX-YCPHGPKFSA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087246645 1179976192 /nfs/dbraw/zinc/97/61/92/1179976192.db2.gz YLSGLDDHHWOYHX-YCPHGPKFSA-N 2 1 361.494 0.676 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972648255 1180185765 /nfs/dbraw/zinc/18/57/65/1180185765.db2.gz DWSLEOJFJOBUAU-NUJGCVRESA-N 2 1 359.474 0.591 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389538 1180211279 /nfs/dbraw/zinc/21/12/79/1180211279.db2.gz NMMBHIBYUVVWKZ-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]Cc3cccnc3)cc(=O)[nH]2)CC[N@@H+]1C ZINC001087257462 1180337232 /nfs/dbraw/zinc/33/72/32/1180337232.db2.gz UUEMUHVQDFQUOR-CZUORRHYSA-N 2 1 370.457 0.823 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]Cc3cccnc3)cc(=O)[nH]2)CC[N@H+]1C ZINC001087257462 1180337244 /nfs/dbraw/zinc/33/72/44/1180337244.db2.gz UUEMUHVQDFQUOR-CZUORRHYSA-N 2 1 370.457 0.823 20 0 FCADMP [NH3+][C@H](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000892409748 1180579062 /nfs/dbraw/zinc/57/90/62/1180579062.db2.gz BHCIEQOPNZYYJE-MSOLQXFVSA-N 2 1 373.501 0.552 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001691483428 1180713069 /nfs/dbraw/zinc/71/30/69/1180713069.db2.gz HBWAMGUUUPDZAP-OIISXLGYSA-N 2 1 371.489 0.665 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001691483428 1180713103 /nfs/dbraw/zinc/71/31/03/1180713103.db2.gz HBWAMGUUUPDZAP-OIISXLGYSA-N 2 1 371.489 0.665 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024037988 1180806096 /nfs/dbraw/zinc/80/60/96/1180806096.db2.gz DMNHMXYQKMWICD-HLLBOEOZSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024037988 1180806097 /nfs/dbraw/zinc/80/60/97/1180806097.db2.gz DMNHMXYQKMWICD-HLLBOEOZSA-N 2 1 364.494 0.345 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892452581 1181042326 /nfs/dbraw/zinc/04/23/26/1181042326.db2.gz QEVNFJNXEAQGJS-MUYFXNHWSA-N 2 1 365.522 0.448 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892517622 1181697631 /nfs/dbraw/zinc/69/76/31/1181697631.db2.gz ADZLTFPZBOGPNU-QGZVFWFLSA-N 2 1 357.462 0.962 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892518855 1181709233 /nfs/dbraw/zinc/70/92/33/1181709233.db2.gz BHVCTQWVKMVHGT-MRXNPFEDSA-N 2 1 357.462 0.962 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC000972990374 1181851163 /nfs/dbraw/zinc/85/11/63/1181851163.db2.gz VRQUTDAQYYHLBX-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1)C1CCC1 ZINC001083275807 1181855257 /nfs/dbraw/zinc/85/52/57/1181855257.db2.gz XNZCZFCIWFQXLL-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)C1CCC1 ZINC001083275807 1181855264 /nfs/dbraw/zinc/85/52/64/1181855264.db2.gz XNZCZFCIWFQXLL-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892648121 1182000147 /nfs/dbraw/zinc/00/01/47/1182000147.db2.gz CAZWXYSDWISWMF-TXPKVOOTSA-N 2 1 365.522 0.522 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892648121 1182000150 /nfs/dbraw/zinc/00/01/50/1182000150.db2.gz CAZWXYSDWISWMF-TXPKVOOTSA-N 2 1 365.522 0.522 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892648121 1182000153 /nfs/dbraw/zinc/00/01/53/1182000153.db2.gz CAZWXYSDWISWMF-TXPKVOOTSA-N 2 1 365.522 0.522 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892648103 1182000378 /nfs/dbraw/zinc/00/03/78/1182000378.db2.gz BPOZMCFCXOTCIS-INIZCTEOSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892648104 1182000553 /nfs/dbraw/zinc/00/05/53/1182000553.db2.gz BPOZMCFCXOTCIS-MRXNPFEDSA-N 2 1 365.522 0.809 20 0 FCADMP COCCCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111984072 1182029833 /nfs/dbraw/zinc/02/98/33/1182029833.db2.gz YSRLZKSCRNTETD-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984072 1182029837 /nfs/dbraw/zinc/02/98/37/1182029837.db2.gz YSRLZKSCRNTETD-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984072 1182029842 /nfs/dbraw/zinc/02/98/42/1182029842.db2.gz YSRLZKSCRNTETD-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111984072 1182029848 /nfs/dbraw/zinc/02/98/48/1182029848.db2.gz YSRLZKSCRNTETD-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111984072 1182029854 /nfs/dbraw/zinc/02/98/54/1182029854.db2.gz YSRLZKSCRNTETD-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000973332286 1182242560 /nfs/dbraw/zinc/24/25/60/1182242560.db2.gz KPRSFXHDYFQBNT-JVNHZCFISA-N 2 1 362.518 0.964 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000892706082 1182392205 /nfs/dbraw/zinc/39/22/05/1182392205.db2.gz XKEHLMQDACWFQT-HDICACEKSA-N 2 1 373.501 0.681 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758756 1182481992 /nfs/dbraw/zinc/48/19/92/1182481992.db2.gz LLJLPEJBCFKSBZ-KRWDZBQOSA-N 2 1 369.554 0.670 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)CC[NH+](C)C ZINC000892758756 1182482000 /nfs/dbraw/zinc/48/20/00/1182482000.db2.gz LLJLPEJBCFKSBZ-KRWDZBQOSA-N 2 1 369.554 0.670 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768349 1182490752 /nfs/dbraw/zinc/49/07/52/1182490752.db2.gz GSQHNDMZEVYXSL-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000892789553 1182506789 /nfs/dbraw/zinc/50/67/89/1182506789.db2.gz QCESXDXLMPIREC-ROUUACIJSA-N 2 1 371.485 0.307 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789588 1182839362 /nfs/dbraw/zinc/83/93/62/1182839362.db2.gz QAVGFIFALQXXDW-IGERKEGBSA-N 2 1 365.518 0.815 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[N@H+]1C ZINC001025795219 1182847287 /nfs/dbraw/zinc/84/72/87/1182847287.db2.gz ZFEPDECOLAINCV-DWMDIXPDSA-N 2 1 362.518 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025795219 1182847290 /nfs/dbraw/zinc/84/72/90/1182847290.db2.gz ZFEPDECOLAINCV-DWMDIXPDSA-N 2 1 362.518 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025795219 1182847291 /nfs/dbraw/zinc/84/72/91/1182847291.db2.gz ZFEPDECOLAINCV-DWMDIXPDSA-N 2 1 362.518 0.772 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001104846407 1182953673 /nfs/dbraw/zinc/95/36/73/1182953673.db2.gz VALUYRMYBGNPCS-QLFBSQMISA-N 2 1 370.457 0.829 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237935 1182967328 /nfs/dbraw/zinc/96/73/28/1182967328.db2.gz PSJFVWYWFLTMMN-SQNIBIBYSA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237935 1182967336 /nfs/dbraw/zinc/96/73/36/1182967336.db2.gz PSJFVWYWFLTMMN-SQNIBIBYSA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237935 1182967355 /nfs/dbraw/zinc/96/73/55/1182967355.db2.gz PSJFVWYWFLTMMN-SQNIBIBYSA-N 2 1 367.538 0.111 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104874256 1182969078 /nfs/dbraw/zinc/96/90/78/1182969078.db2.gz QQJJTPAEESUIMH-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104872565 1182969942 /nfs/dbraw/zinc/96/99/42/1182969942.db2.gz OBIMZACSGYDTOG-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104908409 1182990616 /nfs/dbraw/zinc/99/06/16/1182990616.db2.gz VVGYTCSOMBUGIO-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001105008138 1183067161 /nfs/dbraw/zinc/06/71/61/1183067161.db2.gz RLOOFEHXDPHZCB-OAGGEKHMSA-N 2 1 366.485 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)OC)nn3)C2)CC[N@@H+]1C ZINC001105244272 1183154467 /nfs/dbraw/zinc/15/44/67/1183154467.db2.gz ULAVTWJHJQPOFU-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)OC)nn3)C2)CC[N@H+]1C ZINC001105244272 1183154470 /nfs/dbraw/zinc/15/44/70/1183154470.db2.gz ULAVTWJHJQPOFU-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974574532 1183343508 /nfs/dbraw/zinc/34/35/08/1183343508.db2.gz YGATXXDNHZOXFA-IAGOWNOFSA-N 2 1 371.485 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cn(CC4CC4)nn3)C2)CC[N@H+]1C ZINC001026851264 1183411477 /nfs/dbraw/zinc/41/14/77/1183411477.db2.gz AVWAGVYQEKOWAY-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001026852744 1183415767 /nfs/dbraw/zinc/41/57/67/1183415767.db2.gz PYEYDJIMLYVEEG-RBSFLKMASA-N 2 1 362.478 0.087 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001026855690 1183425084 /nfs/dbraw/zinc/42/50/84/1183425084.db2.gz LMOPLWHOLLLPGE-HRCADAONSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CN(CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752047 1183518201 /nfs/dbraw/zinc/51/82/01/1183518201.db2.gz KEOOKSLSBIIBRB-BMFZPTHFSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CN(CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752047 1183518207 /nfs/dbraw/zinc/51/82/07/1183518207.db2.gz KEOOKSLSBIIBRB-BMFZPTHFSA-N 2 1 366.506 0.153 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC000975617534 1183946138 /nfs/dbraw/zinc/94/61/38/1183946138.db2.gz UWPZIOODSKMEOU-SZMVWBNQSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1 ZINC000975718024 1185634238 /nfs/dbraw/zinc/63/42/38/1185634238.db2.gz BKITWAOZARADSG-SZMVWBNQSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975718520 1185637382 /nfs/dbraw/zinc/63/73/82/1185637382.db2.gz IPNPWDYSLBBFPV-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975718520 1185637398 /nfs/dbraw/zinc/63/73/98/1185637398.db2.gz IPNPWDYSLBBFPV-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21)[NH+](C)C ZINC000975811875 1185806279 /nfs/dbraw/zinc/80/62/79/1185806279.db2.gz WESPUHLCONJJCM-ULQDDVLXSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000978972089 1186040650 /nfs/dbraw/zinc/04/06/50/1186040650.db2.gz VJDJYQNSTVQERO-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000978972089 1186040655 /nfs/dbraw/zinc/04/06/55/1186040655.db2.gz VJDJYQNSTVQERO-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000978972089 1186040658 /nfs/dbraw/zinc/04/06/58/1186040658.db2.gz VJDJYQNSTVQERO-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000978972089 1186040661 /nfs/dbraw/zinc/04/06/61/1186040661.db2.gz VJDJYQNSTVQERO-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423723858 1186043961 /nfs/dbraw/zinc/04/39/61/1186043961.db2.gz HONOXONVSYXSFJ-LJQANCHMSA-N 2 1 362.474 0.914 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529557 1186079311 /nfs/dbraw/zinc/07/93/11/1186079311.db2.gz FTBHGHSFLTZBRC-JVPBZIDWSA-N 2 1 368.497 0.903 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112529795 1186093068 /nfs/dbraw/zinc/09/30/68/1186093068.db2.gz PPPAOZBOYHLXCD-AOIWGVFYSA-N 2 1 360.506 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cncc3C)C2)CC[N@H+]1C ZINC000979877175 1186134093 /nfs/dbraw/zinc/13/40/93/1186134093.db2.gz IOCXIIZUPQGPKD-LUKYLMHMSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000979877175 1186134099 /nfs/dbraw/zinc/13/40/99/1186134099.db2.gz IOCXIIZUPQGPKD-LUKYLMHMSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000979877175 1186134102 /nfs/dbraw/zinc/13/41/02/1186134102.db2.gz IOCXIIZUPQGPKD-LUKYLMHMSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001027893303 1186197873 /nfs/dbraw/zinc/19/78/73/1186197873.db2.gz RTJQMXCVDGYBRP-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001027893303 1186197878 /nfs/dbraw/zinc/19/78/78/1186197878.db2.gz RTJQMXCVDGYBRP-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001027893303 1186197881 /nfs/dbraw/zinc/19/78/81/1186197881.db2.gz RTJQMXCVDGYBRP-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027893303 1186197885 /nfs/dbraw/zinc/19/78/85/1186197885.db2.gz RTJQMXCVDGYBRP-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001027893303 1186197888 /nfs/dbraw/zinc/19/78/88/1186197888.db2.gz RTJQMXCVDGYBRP-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP COc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001027966773 1186240812 /nfs/dbraw/zinc/24/08/12/1186240812.db2.gz UWWRIAMZDHKBAI-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001027966773 1186240815 /nfs/dbraw/zinc/24/08/15/1186240815.db2.gz UWWRIAMZDHKBAI-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@H]3CCc4ncnn43)CC2)O1 ZINC000981439311 1186419245 /nfs/dbraw/zinc/41/92/45/1186419245.db2.gz AFYQIBYSKDJICU-BZUAXINKSA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@H]3CCc4ncnn43)CC2)O1 ZINC000981439311 1186419250 /nfs/dbraw/zinc/41/92/50/1186419250.db2.gz AFYQIBYSKDJICU-BZUAXINKSA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCc4ncnn43)CC2)O1 ZINC000981439311 1186419255 /nfs/dbraw/zinc/41/92/55/1186419255.db2.gz AFYQIBYSKDJICU-BZUAXINKSA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCc4ncnn43)CC2)O1 ZINC000981439311 1186419261 /nfs/dbraw/zinc/41/92/61/1186419261.db2.gz AFYQIBYSKDJICU-BZUAXINKSA-N 2 1 362.478 0.019 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981989073 1186610460 /nfs/dbraw/zinc/61/04/60/1186610460.db2.gz KCDVRFAMHGAXQZ-HZPDHXFCSA-N 2 1 359.474 0.680 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)[C@@H]1CC)[NH+](C)C ZINC001691499322 1186639436 /nfs/dbraw/zinc/63/94/36/1186639436.db2.gz WLLVXHYTGXVTOG-NXOAAHMSSA-N 2 1 368.522 0.279 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306590 1186728904 /nfs/dbraw/zinc/72/89/04/1186728904.db2.gz URKPDTQHMTYWSU-TZNWLIJBSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306590 1186728921 /nfs/dbraw/zinc/72/89/21/1186728921.db2.gz URKPDTQHMTYWSU-TZNWLIJBSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306590 1186728931 /nfs/dbraw/zinc/72/89/31/1186728931.db2.gz URKPDTQHMTYWSU-TZNWLIJBSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306590 1186728942 /nfs/dbraw/zinc/72/89/42/1186728942.db2.gz URKPDTQHMTYWSU-TZNWLIJBSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@]3(C)C[N@@H+](C[C@@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306626 1186729043 /nfs/dbraw/zinc/72/90/43/1186729043.db2.gz VRSJPJKMHQNVAR-DSJDWBEOSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@]3(C)C[NH+](C[C@@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306626 1186729050 /nfs/dbraw/zinc/72/90/50/1186729050.db2.gz VRSJPJKMHQNVAR-DSJDWBEOSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@]3(C)C[NH+](C[C@@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306626 1186729057 /nfs/dbraw/zinc/72/90/57/1186729057.db2.gz VRSJPJKMHQNVAR-DSJDWBEOSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@]3(C)C[N@H+](C[C@@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306626 1186729058 /nfs/dbraw/zinc/72/90/58/1186729058.db2.gz VRSJPJKMHQNVAR-DSJDWBEOSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@]3(C)C[N@@H+](C[C@@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306626 1186729060 /nfs/dbraw/zinc/72/90/60/1186729060.db2.gz VRSJPJKMHQNVAR-DSJDWBEOSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982925613 1187794230 /nfs/dbraw/zinc/79/42/30/1187794230.db2.gz LOCXIXVIIHJDQO-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982925613 1187794236 /nfs/dbraw/zinc/79/42/36/1187794236.db2.gz LOCXIXVIIHJDQO-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)CCn3ccnc3)C2)CC[N@H+]1C ZINC000983032792 1187817684 /nfs/dbraw/zinc/81/76/84/1187817684.db2.gz KVVOHZARJXNYOR-IXDOHACOSA-N 2 1 361.490 0.968 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813702 1187915000 /nfs/dbraw/zinc/91/50/00/1187915000.db2.gz MRQGPJHUFWWUJS-BRWVUGGUSA-N 2 1 369.469 0.861 20 0 FCADMP CCn1ccnc1C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001269992510 1187961797 /nfs/dbraw/zinc/96/17/97/1187961797.db2.gz NKHZKKYNUNELQJ-UHFFFAOYSA-N 2 1 361.494 0.543 20 0 FCADMP CCn1ccnc1C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001269992510 1187961804 /nfs/dbraw/zinc/96/18/04/1187961804.db2.gz NKHZKKYNUNELQJ-UHFFFAOYSA-N 2 1 361.494 0.543 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000550036676 1188215020 /nfs/dbraw/zinc/21/50/20/1188215020.db2.gz ZSYHMTJNHVEYRC-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]([NH2+]Cc1ccnn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111224 1188291584 /nfs/dbraw/zinc/29/15/84/1188291584.db2.gz DLIQVJMOQJSXAM-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]([NH2+]Cc1ccnn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111224 1188291592 /nfs/dbraw/zinc/29/15/92/1188291592.db2.gz DLIQVJMOQJSXAM-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP CC(C)N1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984012284 1189371098 /nfs/dbraw/zinc/37/10/98/1189371098.db2.gz FFYDFVHVODUKQJ-OVYGPGRDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)N1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984012284 1189371100 /nfs/dbraw/zinc/37/11/00/1189371100.db2.gz FFYDFVHVODUKQJ-OVYGPGRDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000550455598 1189491160 /nfs/dbraw/zinc/49/11/60/1189491160.db2.gz ARCUCOPEBGOWKT-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000550455598 1189491166 /nfs/dbraw/zinc/49/11/66/1189491166.db2.gz ARCUCOPEBGOWKT-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000550455598 1189491170 /nfs/dbraw/zinc/49/11/70/1189491170.db2.gz ARCUCOPEBGOWKT-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000550457947 1189504711 /nfs/dbraw/zinc/50/47/11/1189504711.db2.gz IVFWZCQRXNCREC-QGZVFWFLSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087712698 1189800135 /nfs/dbraw/zinc/80/01/35/1189800135.db2.gz WKESLBZMFQWCQI-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCN1CCNC1=O ZINC001087774004 1189819875 /nfs/dbraw/zinc/81/98/75/1189819875.db2.gz SSJMNPKGMIREBD-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087828616 1189841673 /nfs/dbraw/zinc/84/16/73/1189841673.db2.gz QANPGRDWCSFJSQ-BHYGNILZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087828616 1189841674 /nfs/dbraw/zinc/84/16/74/1189841674.db2.gz QANPGRDWCSFJSQ-BHYGNILZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087828616 1189841675 /nfs/dbraw/zinc/84/16/75/1189841675.db2.gz QANPGRDWCSFJSQ-BHYGNILZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087828616 1189841677 /nfs/dbraw/zinc/84/16/77/1189841677.db2.gz QANPGRDWCSFJSQ-BHYGNILZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087830443 1189841871 /nfs/dbraw/zinc/84/18/71/1189841871.db2.gz HCZXHWNQJRNEBS-HRCADAONSA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001087830443 1189841874 /nfs/dbraw/zinc/84/18/74/1189841874.db2.gz HCZXHWNQJRNEBS-HRCADAONSA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087830443 1189841875 /nfs/dbraw/zinc/84/18/75/1189841875.db2.gz HCZXHWNQJRNEBS-HRCADAONSA-N 2 1 357.462 0.940 20 0 FCADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000895846155 1189888082 /nfs/dbraw/zinc/88/80/82/1189888082.db2.gz YNSAEPAYUAZKTO-IAGOWNOFSA-N 2 1 366.506 0.386 20 0 FCADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n[nH]1 ZINC000896154731 1189977004 /nfs/dbraw/zinc/97/70/04/1189977004.db2.gz FRQTWLYKJFWGHY-QGZVFWFLSA-N 2 1 374.489 0.557 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963741 1190009198 /nfs/dbraw/zinc/00/91/98/1190009198.db2.gz FSYIWQCQBPUQKH-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963741 1190009204 /nfs/dbraw/zinc/00/92/04/1190009204.db2.gz FSYIWQCQBPUQKH-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963741 1190009209 /nfs/dbraw/zinc/00/92/09/1190009209.db2.gz FSYIWQCQBPUQKH-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963741 1190009216 /nfs/dbraw/zinc/00/92/16/1190009216.db2.gz FSYIWQCQBPUQKH-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001087966631 1190020970 /nfs/dbraw/zinc/02/09/70/1190020970.db2.gz MNJBIEXPPLLFAP-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000896469089 1190064239 /nfs/dbraw/zinc/06/42/39/1190064239.db2.gz UWCIXMDFVYEOOW-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995006 1190148530 /nfs/dbraw/zinc/14/85/30/1190148530.db2.gz NUBWFLLYBHMHDG-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995006 1190148532 /nfs/dbraw/zinc/14/85/32/1190148532.db2.gz NUBWFLLYBHMHDG-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087995006 1190148535 /nfs/dbraw/zinc/14/85/35/1190148535.db2.gz NUBWFLLYBHMHDG-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)C12CCC[NH+](CCC1)C2 ZINC001088010133 1190207973 /nfs/dbraw/zinc/20/79/73/1190207973.db2.gz KHBQZEQNVXSERE-IXDOHACOSA-N 2 1 360.502 0.531 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013944 1190215737 /nfs/dbraw/zinc/21/57/37/1190215737.db2.gz AKNGOTHRHSXDMT-IXDOHACOSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013944 1190215745 /nfs/dbraw/zinc/21/57/45/1190215745.db2.gz AKNGOTHRHSXDMT-IXDOHACOSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088013944 1190215755 /nfs/dbraw/zinc/21/57/55/1190215755.db2.gz AKNGOTHRHSXDMT-IXDOHACOSA-N 2 1 363.506 0.276 20 0 FCADMP O=C([C@@H]1CCc2nccn2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018579 1190230941 /nfs/dbraw/zinc/23/09/41/1190230941.db2.gz CVIQKLBEACFHNB-ZACQAIPSSA-N 2 1 369.473 0.518 20 0 FCADMP O=C(N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026266 1190261270 /nfs/dbraw/zinc/26/12/70/1190261270.db2.gz ZXSNZZIRCJZYLC-SJORKVTESA-N 2 1 358.490 0.687 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041810 1190299290 /nfs/dbraw/zinc/29/92/90/1190299290.db2.gz KPQLWNBYBQOBEG-UKPHBRMFSA-N 2 1 355.442 0.992 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cn1cc[nH+]c1C ZINC000985163047 1190657319 /nfs/dbraw/zinc/65/73/19/1190657319.db2.gz ASXQMHPSUVRIDZ-JKSUJKDBSA-N 2 1 359.474 0.783 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001088317165 1190725784 /nfs/dbraw/zinc/72/57/84/1190725784.db2.gz UGANLZBNXAFBRV-HRCADAONSA-N 2 1 363.510 0.801 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001088317165 1190725789 /nfs/dbraw/zinc/72/57/89/1190725789.db2.gz UGANLZBNXAFBRV-HRCADAONSA-N 2 1 363.510 0.801 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cnnn3C)C2)O1 ZINC001088335630 1190752425 /nfs/dbraw/zinc/75/24/25/1190752425.db2.gz JDHQIVZHGNSZSG-HLLBOEOZSA-N 2 1 364.494 0.395 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cnnn3C)C2)O1 ZINC001088335630 1190752428 /nfs/dbraw/zinc/75/24/28/1190752428.db2.gz JDHQIVZHGNSZSG-HLLBOEOZSA-N 2 1 364.494 0.395 20 0 FCADMP COC[C@@H](C(=O)OC)N1CCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276755979 1224107730 /nfs/dbraw/zinc/10/77/30/1224107730.db2.gz DGWFJNHWFMXDBH-INIZCTEOSA-N 2 1 367.490 0.583 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876602 1190796474 /nfs/dbraw/zinc/79/64/74/1190796474.db2.gz TUGOMGAHQAMGFT-XYJFISCASA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876602 1190796478 /nfs/dbraw/zinc/79/64/78/1190796478.db2.gz TUGOMGAHQAMGFT-XYJFISCASA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876602 1190796482 /nfs/dbraw/zinc/79/64/82/1190796482.db2.gz TUGOMGAHQAMGFT-XYJFISCASA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876602 1190796486 /nfs/dbraw/zinc/79/64/86/1190796486.db2.gz TUGOMGAHQAMGFT-XYJFISCASA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000985829797 1190827463 /nfs/dbraw/zinc/82/74/63/1190827463.db2.gz SWPOMDYYBFPIKQ-IAGOWNOFSA-N 2 1 365.522 0.617 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1)[NH+](C)C ZINC000986322284 1190955088 /nfs/dbraw/zinc/95/50/88/1190955088.db2.gz WXDVIBZEDBURFW-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986403756 1190974746 /nfs/dbraw/zinc/97/47/46/1190974746.db2.gz PBXHMEDIPVLPKS-ZJPYXAASSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986403756 1190974749 /nfs/dbraw/zinc/97/47/49/1190974749.db2.gz PBXHMEDIPVLPKS-ZJPYXAASSA-N 2 1 373.501 0.839 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495077 1191013349 /nfs/dbraw/zinc/01/33/49/1191013349.db2.gz ZIPBHWFDYQIYTC-VHDGCEQUSA-N 2 1 358.446 0.196 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C1)C1CCC1 ZINC000986782085 1191095899 /nfs/dbraw/zinc/09/58/99/1191095899.db2.gz OOORZNFITNMFPY-CABCVRRESA-N 2 1 359.474 0.743 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1 ZINC000988108527 1191150453 /nfs/dbraw/zinc/15/04/53/1191150453.db2.gz YUCKIZWBYIIOBF-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1 ZINC000988108527 1191150454 /nfs/dbraw/zinc/15/04/54/1191150454.db2.gz YUCKIZWBYIIOBF-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361873 1191193551 /nfs/dbraw/zinc/19/35/51/1191193551.db2.gz FNPYLYPIJIATTL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361873 1191193556 /nfs/dbraw/zinc/19/35/56/1191193556.db2.gz FNPYLYPIJIATTL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361873 1191193558 /nfs/dbraw/zinc/19/35/58/1191193558.db2.gz FNPYLYPIJIATTL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361873 1191193562 /nfs/dbraw/zinc/19/35/62/1191193562.db2.gz FNPYLYPIJIATTL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582213 1193734211 /nfs/dbraw/zinc/73/42/11/1193734211.db2.gz VSMKPLAWWHFQFE-IXDOHACOSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582213 1193734214 /nfs/dbraw/zinc/73/42/14/1193734214.db2.gz VSMKPLAWWHFQFE-IXDOHACOSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582213 1193734216 /nfs/dbraw/zinc/73/42/16/1193734216.db2.gz VSMKPLAWWHFQFE-IXDOHACOSA-N 2 1 360.506 0.888 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550902377 1193819392 /nfs/dbraw/zinc/81/93/92/1193819392.db2.gz HSPCMPSYFBEVIA-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088708536 1193827985 /nfs/dbraw/zinc/82/79/85/1193827985.db2.gz XHDHCACSLQSAFC-CJNGLKHVSA-N 2 1 369.425 0.676 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551139968 1193836890 /nfs/dbraw/zinc/83/68/90/1193836890.db2.gz OBKHIGKWMCJVJM-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000551931180 1193877273 /nfs/dbraw/zinc/87/72/73/1193877273.db2.gz KWJVXAJWBUNJIQ-FGYAAKKASA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000551931180 1193877277 /nfs/dbraw/zinc/87/72/77/1193877277.db2.gz KWJVXAJWBUNJIQ-FGYAAKKASA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000551931180 1193877279 /nfs/dbraw/zinc/87/72/79/1193877279.db2.gz KWJVXAJWBUNJIQ-FGYAAKKASA-N 2 1 366.550 0.576 20 0 FCADMP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)no1 ZINC001075975268 1193890120 /nfs/dbraw/zinc/89/01/20/1193890120.db2.gz XFBHMRLXCVOLPF-WMLDXEAASA-N 2 1 358.446 0.779 20 0 FCADMP CN(C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)no1 ZINC001075976317 1193890215 /nfs/dbraw/zinc/89/02/15/1193890215.db2.gz VXLNRSNLBLSBAV-XJKSGUPXSA-N 2 1 359.434 0.174 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc4nonc4c3)C[C@@H]2O)CC[N@H+]1C ZINC001083473307 1193902873 /nfs/dbraw/zinc/90/28/73/1193902873.db2.gz UNQABSNQPMMISJ-ZPUIDXCVSA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473307 1193902879 /nfs/dbraw/zinc/90/28/79/1193902879.db2.gz UNQABSNQPMMISJ-ZPUIDXCVSA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[N@H+]1C ZINC001083473307 1193902882 /nfs/dbraw/zinc/90/28/82/1193902882.db2.gz UNQABSNQPMMISJ-ZPUIDXCVSA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[NH+]1C ZINC001083473307 1193902888 /nfs/dbraw/zinc/90/28/88/1193902888.db2.gz UNQABSNQPMMISJ-ZPUIDXCVSA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC[NH+]1C ZINC001083473307 1193902893 /nfs/dbraw/zinc/90/28/93/1193902893.db2.gz UNQABSNQPMMISJ-ZPUIDXCVSA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC[N@@H+]1C ZINC001083472726 1193904451 /nfs/dbraw/zinc/90/44/51/1193904451.db2.gz NYSBETFVLSSUOA-XEKGUZQTSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC[N@H+]1C ZINC001083472726 1193904457 /nfs/dbraw/zinc/90/44/57/1193904457.db2.gz NYSBETFVLSSUOA-XEKGUZQTSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC[NH+]1C ZINC001083472726 1193904459 /nfs/dbraw/zinc/90/44/59/1193904459.db2.gz NYSBETFVLSSUOA-XEKGUZQTSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CC[NH+]1C ZINC001083472726 1193904463 /nfs/dbraw/zinc/90/44/63/1193904463.db2.gz NYSBETFVLSSUOA-XEKGUZQTSA-N 2 1 359.470 0.718 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083475135 1193908115 /nfs/dbraw/zinc/90/81/15/1193908115.db2.gz UGMATKXMMDRMLL-MANSERQUSA-N 2 1 361.486 0.571 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083475135 1193908120 /nfs/dbraw/zinc/90/81/20/1193908120.db2.gz UGMATKXMMDRMLL-MANSERQUSA-N 2 1 361.486 0.571 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083475135 1193908124 /nfs/dbraw/zinc/90/81/24/1193908124.db2.gz UGMATKXMMDRMLL-MANSERQUSA-N 2 1 361.486 0.571 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667275 1193929321 /nfs/dbraw/zinc/92/93/21/1193929321.db2.gz AFEMMLHNZIMQMK-ZAWLATJESA-N 2 1 364.490 0.540 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21)[NH+](CC)CC ZINC001218624377 1224184499 /nfs/dbraw/zinc/18/44/99/1224184499.db2.gz OQNGALYRUOURKD-FGTMMUONSA-N 2 1 363.506 0.915 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21)[NH+](CC)CC ZINC001218624377 1224184501 /nfs/dbraw/zinc/18/45/01/1224184501.db2.gz OQNGALYRUOURKD-FGTMMUONSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000552539009 1193938601 /nfs/dbraw/zinc/93/86/01/1193938601.db2.gz VBYJTQYOZXMWDR-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000552539009 1193938605 /nfs/dbraw/zinc/93/86/05/1193938605.db2.gz VBYJTQYOZXMWDR-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000552630889 1193944775 /nfs/dbraw/zinc/94/47/75/1193944775.db2.gz KSGBCAFHSNWJDB-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000552747492 1193949638 /nfs/dbraw/zinc/94/96/38/1193949638.db2.gz KNJXXDJSAKTMMW-INIZCTEOSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000552747492 1193949640 /nfs/dbraw/zinc/94/96/40/1193949640.db2.gz KNJXXDJSAKTMMW-INIZCTEOSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553097357 1193971370 /nfs/dbraw/zinc/97/13/70/1193971370.db2.gz ZRUYAFWIUROQLS-HNNXBMFYSA-N 2 1 370.538 0.839 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1C ZINC000553358110 1193991916 /nfs/dbraw/zinc/99/19/16/1193991916.db2.gz AXVINYMMTDXJDM-ZDUSSCGKSA-N 2 1 362.478 0.235 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1C ZINC000553358110 1193991920 /nfs/dbraw/zinc/99/19/20/1193991920.db2.gz AXVINYMMTDXJDM-ZDUSSCGKSA-N 2 1 362.478 0.235 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000553367663 1193992944 /nfs/dbraw/zinc/99/29/44/1193992944.db2.gz WLXOZZQSVNTRRV-OAHLLOKOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000553367663 1193992947 /nfs/dbraw/zinc/99/29/47/1193992947.db2.gz WLXOZZQSVNTRRV-OAHLLOKOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553514189 1194004384 /nfs/dbraw/zinc/00/43/84/1194004384.db2.gz KCAQKSYAXCDQCF-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)Nc1nc(N2CC([N@H+](C)Cc3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000553680125 1194014032 /nfs/dbraw/zinc/01/40/32/1194014032.db2.gz GXHZIMXBTSMBQC-UHFFFAOYSA-N 2 1 371.489 0.261 20 0 FCADMP CC(C)Nc1nc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000553680125 1194014036 /nfs/dbraw/zinc/01/40/36/1194014036.db2.gz GXHZIMXBTSMBQC-UHFFFAOYSA-N 2 1 371.489 0.261 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506210 1194053038 /nfs/dbraw/zinc/05/30/38/1194053038.db2.gz VTRPPGHDRFNJLT-SQNIBIBYSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506210 1194053045 /nfs/dbraw/zinc/05/30/45/1194053045.db2.gz VTRPPGHDRFNJLT-SQNIBIBYSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506210 1194053050 /nfs/dbraw/zinc/05/30/50/1194053050.db2.gz VTRPPGHDRFNJLT-SQNIBIBYSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506210 1194053056 /nfs/dbraw/zinc/05/30/56/1194053056.db2.gz VTRPPGHDRFNJLT-SQNIBIBYSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810265 1194063132 /nfs/dbraw/zinc/06/31/32/1194063132.db2.gz RPUGDJFLSINAQI-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810265 1194063136 /nfs/dbraw/zinc/06/31/36/1194063136.db2.gz RPUGDJFLSINAQI-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810265 1194063139 /nfs/dbraw/zinc/06/31/39/1194063139.db2.gz RPUGDJFLSINAQI-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228903 1194108174 /nfs/dbraw/zinc/10/81/74/1194108174.db2.gz CDKDGWRPSWFWQX-ZWKOTPCHSA-N 2 1 358.486 0.747 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524143 1194155745 /nfs/dbraw/zinc/15/57/45/1194155745.db2.gz JLGMORXJGIAALS-KURKYZTESA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524143 1194155746 /nfs/dbraw/zinc/15/57/46/1194155746.db2.gz JLGMORXJGIAALS-KURKYZTESA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524143 1194155747 /nfs/dbraw/zinc/15/57/47/1194155747.db2.gz JLGMORXJGIAALS-KURKYZTESA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524143 1194155748 /nfs/dbraw/zinc/15/57/48/1194155748.db2.gz JLGMORXJGIAALS-KURKYZTESA-N 2 1 363.506 0.653 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCN2CCNC2=O)CC3)CC[NH+]1C ZINC000990792295 1194164659 /nfs/dbraw/zinc/16/46/59/1194164659.db2.gz RJOMSHIBVFALAW-YKTARERQSA-N 2 1 363.506 0.465 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC001076070472 1194291944 /nfs/dbraw/zinc/29/19/44/1194291944.db2.gz KYFWCKRZZPBIGP-LWLVAEKPSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC001076070472 1194291948 /nfs/dbraw/zinc/29/19/48/1194291948.db2.gz KYFWCKRZZPBIGP-LWLVAEKPSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC001076070472 1194291954 /nfs/dbraw/zinc/29/19/54/1194291954.db2.gz KYFWCKRZZPBIGP-LWLVAEKPSA-N 2 1 368.481 0.978 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076107031 1194308718 /nfs/dbraw/zinc/30/87/18/1194308718.db2.gz JYHHTDHEALHADL-YESZJQIVSA-N 2 1 358.446 0.064 20 0 FCADMP CC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794353 1224208541 /nfs/dbraw/zinc/20/85/41/1224208541.db2.gz HRIHURKQSISFCJ-ZBQZNYHESA-N 2 1 367.490 0.554 20 0 FCADMP CC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794353 1224208549 /nfs/dbraw/zinc/20/85/49/1224208549.db2.gz HRIHURKQSISFCJ-ZBQZNYHESA-N 2 1 367.490 0.554 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206467 1194353566 /nfs/dbraw/zinc/35/35/66/1194353566.db2.gz PUTFEQWWQMQKLA-ZWKOTPCHSA-N 2 1 360.506 0.769 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324044 1194396403 /nfs/dbraw/zinc/39/64/03/1194396403.db2.gz LBDPMTLXZGOVQM-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076418982 1194467649 /nfs/dbraw/zinc/46/76/49/1194467649.db2.gz ZLHKFJZFHXYDSG-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)nn1 ZINC001076467088 1194501126 /nfs/dbraw/zinc/50/11/26/1194501126.db2.gz BWYUJHAOSPRNIU-GOEBONIOSA-N 2 1 357.458 0.614 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)nn1 ZINC001076467088 1194501129 /nfs/dbraw/zinc/50/11/29/1194501129.db2.gz BWYUJHAOSPRNIU-GOEBONIOSA-N 2 1 357.458 0.614 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001076575486 1194572936 /nfs/dbraw/zinc/57/29/36/1194572936.db2.gz SRVHORITWNCMIE-DLBZAZTESA-N 2 1 357.462 0.633 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001076575486 1194572945 /nfs/dbraw/zinc/57/29/45/1194572945.db2.gz SRVHORITWNCMIE-DLBZAZTESA-N 2 1 357.462 0.633 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)C1 ZINC001076567638 1194573322 /nfs/dbraw/zinc/57/33/22/1194573322.db2.gz CRIUKIGHRBEHAR-OFQRWUPVSA-N 2 1 370.457 0.007 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076571445 1194576561 /nfs/dbraw/zinc/57/65/61/1194576561.db2.gz KBKZCAVRMQFIFN-RYQLBKOJSA-N 2 1 360.502 0.768 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588776 1194584652 /nfs/dbraw/zinc/58/46/52/1194584652.db2.gz FIQVPGIRVDGXMH-CGTJXYLNSA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588776 1194584658 /nfs/dbraw/zinc/58/46/58/1194584658.db2.gz FIQVPGIRVDGXMH-CGTJXYLNSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588776 1194584662 /nfs/dbraw/zinc/58/46/62/1194584662.db2.gz FIQVPGIRVDGXMH-CGTJXYLNSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001076588776 1194584670 /nfs/dbraw/zinc/58/46/70/1194584670.db2.gz FIQVPGIRVDGXMH-CGTJXYLNSA-N 2 1 361.490 0.216 20 0 FCADMP COCCCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795997 1224228313 /nfs/dbraw/zinc/22/83/13/1224228313.db2.gz SYBXJHDJKYJYTE-DNVCBOLYSA-N 2 1 369.506 0.613 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)cn1 ZINC001218814866 1224231162 /nfs/dbraw/zinc/23/11/62/1224231162.db2.gz YHQABFHINONZNP-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)cn1 ZINC001218814866 1224231171 /nfs/dbraw/zinc/23/11/71/1224231171.db2.gz YHQABFHINONZNP-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001076751611 1194987652 /nfs/dbraw/zinc/98/76/52/1194987652.db2.gz WXMSGVTVFZCJBB-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001076751611 1194987658 /nfs/dbraw/zinc/98/76/58/1194987658.db2.gz WXMSGVTVFZCJBB-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218918128 1224257821 /nfs/dbraw/zinc/25/78/21/1224257821.db2.gz BWQNCWUYHLZLQZ-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218918128 1224257826 /nfs/dbraw/zinc/25/78/26/1224257826.db2.gz BWQNCWUYHLZLQZ-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218918128 1224257835 /nfs/dbraw/zinc/25/78/35/1224257835.db2.gz BWQNCWUYHLZLQZ-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218918128 1224257845 /nfs/dbraw/zinc/25/78/45/1224257845.db2.gz BWQNCWUYHLZLQZ-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077002827 1195138531 /nfs/dbraw/zinc/13/85/31/1195138531.db2.gz IQMSXJFZBBHOTQ-RCCFBDPRSA-N 2 1 361.490 0.003 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077002827 1195138538 /nfs/dbraw/zinc/13/85/38/1195138538.db2.gz IQMSXJFZBBHOTQ-RCCFBDPRSA-N 2 1 361.490 0.003 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007297 1195141641 /nfs/dbraw/zinc/14/16/41/1195141641.db2.gz HUYKZMIBXJERQW-IPMKNSEASA-N 2 1 359.470 0.698 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007297 1195141653 /nfs/dbraw/zinc/14/16/53/1195141653.db2.gz HUYKZMIBXJERQW-IPMKNSEASA-N 2 1 359.470 0.698 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2O)n1 ZINC001077014113 1195149008 /nfs/dbraw/zinc/14/90/08/1195149008.db2.gz DHEZKUYXJAGJTA-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2O)CC[N@@H+]1C ZINC001077027298 1195157394 /nfs/dbraw/zinc/15/73/94/1195157394.db2.gz HANFGLNVXIQDMH-ZJIFWQFVSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2O)CC[N@H+]1C ZINC001077027298 1195157399 /nfs/dbraw/zinc/15/73/99/1195157399.db2.gz HANFGLNVXIQDMH-ZJIFWQFVSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]2O)CC[NH+]1C ZINC001077027298 1195157406 /nfs/dbraw/zinc/15/74/06/1195157406.db2.gz HANFGLNVXIQDMH-ZJIFWQFVSA-N 2 1 365.478 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2O)CC[NH+]1C ZINC001077027298 1195157415 /nfs/dbraw/zinc/15/74/15/1195157415.db2.gz HANFGLNVXIQDMH-ZJIFWQFVSA-N 2 1 365.478 0.202 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001077219727 1195328272 /nfs/dbraw/zinc/32/82/72/1195328272.db2.gz VQHBGJRGJRUZOQ-KURKYZTESA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300126 1195399669 /nfs/dbraw/zinc/39/96/69/1195399669.db2.gz YZDANBOENDQTGU-QZTJIDSGSA-N 2 1 365.518 0.983 20 0 FCADMP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C(C)=O)c1 ZINC001218981278 1224278173 /nfs/dbraw/zinc/27/81/73/1224278173.db2.gz BXGMVYQUDSUGGN-HNNXBMFYSA-N 2 1 362.430 0.365 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077309053 1195410300 /nfs/dbraw/zinc/41/03/00/1195410300.db2.gz YUYPILWKEOADCP-BRWVUGGUSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077311929 1195414455 /nfs/dbraw/zinc/41/44/55/1195414455.db2.gz FRXCLTIKHCQIQB-KBRIMQKVSA-N 2 1 371.441 0.026 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396020 1195494106 /nfs/dbraw/zinc/49/41/06/1195494106.db2.gz KVMNCIRTLMYZJA-IAOVAPTHSA-N 2 1 371.441 0.026 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418119 1195517539 /nfs/dbraw/zinc/51/75/39/1195517539.db2.gz JMCCFIMTVRTZBB-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418119 1195517546 /nfs/dbraw/zinc/51/75/46/1195517546.db2.gz JMCCFIMTVRTZBB-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418119 1195517548 /nfs/dbraw/zinc/51/75/48/1195517548.db2.gz JMCCFIMTVRTZBB-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219006754 1224286223 /nfs/dbraw/zinc/28/62/23/1224286223.db2.gz VSSORWWSKQDRFQ-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219006754 1224286233 /nfs/dbraw/zinc/28/62/33/1224286233.db2.gz VSSORWWSKQDRFQ-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219006754 1224286244 /nfs/dbraw/zinc/28/62/44/1224286244.db2.gz VSSORWWSKQDRFQ-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001219006754 1224286252 /nfs/dbraw/zinc/28/62/52/1224286252.db2.gz VSSORWWSKQDRFQ-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3cc(CN(C)C)on3)[C@@H](O)C2)C1 ZINC001083590350 1195583421 /nfs/dbraw/zinc/58/34/21/1195583421.db2.gz BTVVWLZBWSXOIG-YCUKKYJWSA-N 2 1 366.462 0.326 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)n1 ZINC001083602410 1195667061 /nfs/dbraw/zinc/66/70/61/1195667061.db2.gz UAZNUORBLHVSAY-SJORKVTESA-N 2 1 361.490 0.290 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)n1 ZINC001083602410 1195667067 /nfs/dbraw/zinc/66/70/67/1195667067.db2.gz UAZNUORBLHVSAY-SJORKVTESA-N 2 1 361.490 0.290 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907553904 1195700376 /nfs/dbraw/zinc/70/03/76/1195700376.db2.gz LCNWXDDHRJFBED-NRFANRHFSA-N 2 1 374.529 0.575 20 0 FCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907553904 1195700382 /nfs/dbraw/zinc/70/03/82/1195700382.db2.gz LCNWXDDHRJFBED-NRFANRHFSA-N 2 1 374.529 0.575 20 0 FCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907553904 1195700386 /nfs/dbraw/zinc/70/03/86/1195700386.db2.gz LCNWXDDHRJFBED-NRFANRHFSA-N 2 1 374.529 0.575 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236563 1195735690 /nfs/dbraw/zinc/73/56/90/1195735690.db2.gz GRZZMQABBWJWEV-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000908236563 1195735694 /nfs/dbraw/zinc/73/56/94/1195735694.db2.gz GRZZMQABBWJWEV-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000908236563 1195735702 /nfs/dbraw/zinc/73/57/02/1195735702.db2.gz GRZZMQABBWJWEV-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000908598044 1195755267 /nfs/dbraw/zinc/75/52/67/1195755267.db2.gz QKZILWWSEYRHPH-UHFFFAOYSA-N 2 1 374.489 0.999 20 0 FCADMP CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000910817073 1195845770 /nfs/dbraw/zinc/84/57/70/1195845770.db2.gz XJETXCLJAIXPHZ-RBUKOAKNSA-N 2 1 370.497 0.741 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000910830766 1195850883 /nfs/dbraw/zinc/85/08/83/1195850883.db2.gz UEUCGDDZXHKLJX-MRXNPFEDSA-N 2 1 371.485 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911054277 1195879500 /nfs/dbraw/zinc/87/95/00/1195879500.db2.gz UAFQDOGZDOKFGW-XHSDSOJGSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911054277 1195879502 /nfs/dbraw/zinc/87/95/02/1195879502.db2.gz UAFQDOGZDOKFGW-XHSDSOJGSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@H]1[NH3+] ZINC000911059039 1195884207 /nfs/dbraw/zinc/88/42/07/1195884207.db2.gz DMFVYIWKBKYLMT-RVKKMQEKSA-N 2 1 374.485 0.329 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@H]1[NH3+] ZINC000911059039 1195884210 /nfs/dbraw/zinc/88/42/10/1195884210.db2.gz DMFVYIWKBKYLMT-RVKKMQEKSA-N 2 1 374.485 0.329 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000911111563 1195895701 /nfs/dbraw/zinc/89/57/01/1195895701.db2.gz MBAWUZRLAVYXPL-HOTGVXAUSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000911111563 1195895704 /nfs/dbraw/zinc/89/57/04/1195895704.db2.gz MBAWUZRLAVYXPL-HOTGVXAUSA-N 2 1 358.486 0.747 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000911145496 1195897789 /nfs/dbraw/zinc/89/77/89/1195897789.db2.gz JLINLHKXAAAULK-JKSUJKDBSA-N 2 1 368.441 0.260 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644514 1195931975 /nfs/dbraw/zinc/93/19/75/1195931975.db2.gz KMHDGBRANXMLBG-SJORKVTESA-N 2 1 371.441 0.122 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000911324393 1195933088 /nfs/dbraw/zinc/93/30/88/1195933088.db2.gz BVBDPNRZNBMTPA-BRSBDYLESA-N 2 1 356.470 0.860 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000911324396 1195933771 /nfs/dbraw/zinc/93/37/71/1195933771.db2.gz BVBDPNRZNBMTPA-ZJPYXAASSA-N 2 1 356.470 0.860 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000911350128 1195939692 /nfs/dbraw/zinc/93/96/92/1195939692.db2.gz AMCVGWZWAJXPBQ-XYVMCAHJSA-N 2 1 358.486 0.676 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049434 1224317889 /nfs/dbraw/zinc/31/78/89/1224317889.db2.gz NPKLTSXVDUSNMH-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049434 1224317894 /nfs/dbraw/zinc/31/78/94/1224317894.db2.gz NPKLTSXVDUSNMH-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083647561 1196315853 /nfs/dbraw/zinc/31/58/53/1196315853.db2.gz IMOBLZCFYBEYOS-KYJSFNMBSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083647561 1196315861 /nfs/dbraw/zinc/31/58/61/1196315861.db2.gz IMOBLZCFYBEYOS-KYJSFNMBSA-N 2 1 362.474 0.350 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360712 1196321512 /nfs/dbraw/zinc/32/15/12/1196321512.db2.gz NEVGCOFUYWCOFJ-KLICCBINSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccnn2C)CC3)O1 ZINC000991360712 1196321516 /nfs/dbraw/zinc/32/15/16/1196321516.db2.gz NEVGCOFUYWCOFJ-KLICCBINSA-N 2 1 361.490 0.752 20 0 FCADMP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](CO)C1 ZINC000912744106 1196366954 /nfs/dbraw/zinc/36/69/54/1196366954.db2.gz OEOOIQXVHUYZDN-LJQANCHMSA-N 2 1 360.502 0.724 20 0 FCADMP C[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](CO)C1 ZINC000912744106 1196366959 /nfs/dbraw/zinc/36/69/59/1196366959.db2.gz OEOOIQXVHUYZDN-LJQANCHMSA-N 2 1 360.502 0.724 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@@H]1C ZINC000592565963 1196569512 /nfs/dbraw/zinc/56/95/12/1196569512.db2.gz FYSKMPOQRJLQQR-KBPBESRZSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@@H]1C ZINC000592565963 1196569518 /nfs/dbraw/zinc/56/95/18/1196569518.db2.gz FYSKMPOQRJLQQR-KBPBESRZSA-N 2 1 363.462 0.429 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593896486 1196669965 /nfs/dbraw/zinc/66/99/65/1196669965.db2.gz JAQMBWLWJITTCD-NCOADZHNSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593896486 1196669970 /nfs/dbraw/zinc/66/99/70/1196669970.db2.gz JAQMBWLWJITTCD-NCOADZHNSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593896489 1196670327 /nfs/dbraw/zinc/67/03/27/1196670327.db2.gz JAQMBWLWJITTCD-VQHPVUNQSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593896489 1196670334 /nfs/dbraw/zinc/67/03/34/1196670334.db2.gz JAQMBWLWJITTCD-VQHPVUNQSA-N 2 1 368.522 0.576 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)on1 ZINC001105945337 1196748476 /nfs/dbraw/zinc/74/84/76/1196748476.db2.gz UAVSOUZMNPLJDR-BPLDGKMQSA-N 2 1 363.462 0.700 20 0 FCADMP CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001105974055 1196761124 /nfs/dbraw/zinc/76/11/24/1196761124.db2.gz LXPPIKKOMGJPTM-KBAYOESNSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001105974055 1196761132 /nfs/dbraw/zinc/76/11/32/1196761132.db2.gz LXPPIKKOMGJPTM-KBAYOESNSA-N 2 1 363.506 0.460 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001088912631 1196834296 /nfs/dbraw/zinc/83/42/96/1196834296.db2.gz JMECNMLAHMMOFZ-PBHICJAKSA-N 2 1 359.478 0.571 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1cnn(C)c1 ZINC001088912631 1196834301 /nfs/dbraw/zinc/83/43/01/1196834301.db2.gz JMECNMLAHMMOFZ-PBHICJAKSA-N 2 1 359.478 0.571 20 0 FCADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2c[nH+]cn21 ZINC001272446712 1197082969 /nfs/dbraw/zinc/08/29/69/1197082969.db2.gz PTEMODXHMKVWML-UCMJJCQDSA-N 2 1 359.474 0.960 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000913679830 1197108406 /nfs/dbraw/zinc/10/84/06/1197108406.db2.gz SFPRODWGZSDUDW-GOSISDBHSA-N 2 1 361.486 0.803 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000913679830 1197108407 /nfs/dbraw/zinc/10/84/07/1197108407.db2.gz SFPRODWGZSDUDW-GOSISDBHSA-N 2 1 361.486 0.803 20 0 FCADMP C[C@H](CC[N@H+]1CCC[C@]2(CNC(=O)C2)C1)[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949062 1197157128 /nfs/dbraw/zinc/15/71/28/1197157128.db2.gz MIZOOBUZGUNJKD-LSTHTHJFSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@]2(CNC(=O)C2)C1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949062 1197157136 /nfs/dbraw/zinc/15/71/36/1197157136.db2.gz MIZOOBUZGUNJKD-LSTHTHJFSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@]2(CNC(=O)C2)C1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949062 1197157144 /nfs/dbraw/zinc/15/71/44/1197157144.db2.gz MIZOOBUZGUNJKD-LSTHTHJFSA-N 2 1 362.518 0.969 20 0 FCADMP C[NH+]1CCC(NC(=O)c2ccc(NCC3([NH+]4CCCC4)COC3)nn2)CC1 ZINC001168444819 1197169053 /nfs/dbraw/zinc/16/90/53/1197169053.db2.gz KSWPMBOZSZURAG-UHFFFAOYSA-N 2 1 374.489 0.577 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000914002835 1197198085 /nfs/dbraw/zinc/19/80/85/1197198085.db2.gz UZIXBIMUPADUDG-UHFFFAOYSA-N 2 1 361.494 0.382 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149839 1197309309 /nfs/dbraw/zinc/30/93/09/1197309309.db2.gz VLOYPZXOBCAUJY-QBPKDAKJSA-N 2 1 367.538 0.718 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001219262410 1224406985 /nfs/dbraw/zinc/40/69/85/1224406985.db2.gz WLRAIQHDNBXOBP-SWLSCSKDSA-N 2 1 360.414 0.371 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992933278 1197612063 /nfs/dbraw/zinc/61/20/63/1197612063.db2.gz BWJXHFZDHBRXLB-FCEWJHQRSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992933278 1197612069 /nfs/dbraw/zinc/61/20/69/1197612069.db2.gz BWJXHFZDHBRXLB-FCEWJHQRSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992937350 1197617896 /nfs/dbraw/zinc/61/78/96/1197617896.db2.gz ASNIJZQVKXZSAW-QFBILLFUSA-N 2 1 359.474 0.594 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945923 1197619038 /nfs/dbraw/zinc/61/90/38/1197619038.db2.gz ZPGCTPLRABZILU-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945923 1197619045 /nfs/dbraw/zinc/61/90/45/1197619045.db2.gz ZPGCTPLRABZILU-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945923 1197619055 /nfs/dbraw/zinc/61/90/55/1197619055.db2.gz ZPGCTPLRABZILU-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992952711 1197629830 /nfs/dbraw/zinc/62/98/30/1197629830.db2.gz OJIGVEWVJLZKMR-QFBILLFUSA-N 2 1 359.474 0.594 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719708 1197652122 /nfs/dbraw/zinc/65/21/22/1197652122.db2.gz RXISNQHHUJUFTQ-KURKYZTESA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719708 1197652125 /nfs/dbraw/zinc/65/21/25/1197652125.db2.gz RXISNQHHUJUFTQ-KURKYZTESA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719708 1197652131 /nfs/dbraw/zinc/65/21/31/1197652131.db2.gz RXISNQHHUJUFTQ-KURKYZTESA-N 2 1 363.506 0.246 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106255637 1197793239 /nfs/dbraw/zinc/79/32/39/1197793239.db2.gz BSPIHRRQSVVXCX-JFIYKMOQSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106256072 1197794309 /nfs/dbraw/zinc/79/43/09/1197794309.db2.gz WPFTUACRCPHUSI-ZIAGYGMSSA-N 2 1 363.462 0.782 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322680 1197863530 /nfs/dbraw/zinc/86/35/30/1197863530.db2.gz QBTYVZZOAZQXQG-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085394612 1197863622 /nfs/dbraw/zinc/86/36/22/1197863622.db2.gz UFMXUSVABJWFKP-BZUAXINKSA-N 2 1 364.490 0.494 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735587987 1197864722 /nfs/dbraw/zinc/86/47/22/1197864722.db2.gz DAQJUSSKJGFJLS-UHFFFAOYSA-N 2 1 361.490 0.833 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106336104 1197868259 /nfs/dbraw/zinc/86/82/59/1197868259.db2.gz CJJOBGNQZAARAA-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001106340469 1197870313 /nfs/dbraw/zinc/87/03/13/1197870313.db2.gz YXTYUXNVYHCUPX-ZIAGYGMSSA-N 2 1 363.510 0.922 20 0 FCADMP Cc1nc2c([nH]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)C2 ZINC001106343250 1197872018 /nfs/dbraw/zinc/87/20/18/1197872018.db2.gz WCMRLBGKEIPKJP-VHDGCEQUSA-N 2 1 361.490 0.595 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC001106432585 1197920543 /nfs/dbraw/zinc/92/05/43/1197920543.db2.gz ZIZKUVIUYSODEE-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106433490 1197923859 /nfs/dbraw/zinc/92/38/59/1197923859.db2.gz KMQVIXINCDSQTL-FRFSOERESA-N 2 1 361.490 0.790 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NCCNc2ccc(C)c[nH+]2)nc1 ZINC000736371461 1197929655 /nfs/dbraw/zinc/92/96/55/1197929655.db2.gz VSYCRIRJXQHFEJ-UHFFFAOYSA-N 2 1 356.430 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085606824 1197955352 /nfs/dbraw/zinc/95/53/52/1197955352.db2.gz ZCFAWACWRBNNOL-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001085606824 1197955356 /nfs/dbraw/zinc/95/53/56/1197955356.db2.gz ZCFAWACWRBNNOL-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606824 1197955358 /nfs/dbraw/zinc/95/53/58/1197955358.db2.gz ZCFAWACWRBNNOL-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606824 1197955362 /nfs/dbraw/zinc/95/53/62/1197955362.db2.gz ZCFAWACWRBNNOL-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCN2CCCC2=O)O1 ZINC001085667628 1197977227 /nfs/dbraw/zinc/97/72/27/1197977227.db2.gz MAOPGOWBQDTGJA-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCN2CCCC2=O)O1 ZINC001085667628 1197977238 /nfs/dbraw/zinc/97/72/38/1197977238.db2.gz MAOPGOWBQDTGJA-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCN2CCCC2=O)O1 ZINC001085667628 1197977248 /nfs/dbraw/zinc/97/72/48/1197977248.db2.gz MAOPGOWBQDTGJA-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCN2CCCC2=O)O1 ZINC001085667628 1197977254 /nfs/dbraw/zinc/97/72/54/1197977254.db2.gz MAOPGOWBQDTGJA-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001006279395 1198108767 /nfs/dbraw/zinc/10/87/67/1198108767.db2.gz HZHXWSADFQCMOT-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001006279395 1198108786 /nfs/dbraw/zinc/10/87/86/1198108786.db2.gz HZHXWSADFQCMOT-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404587 1198133437 /nfs/dbraw/zinc/13/34/37/1198133437.db2.gz PZYGJAPPTUPQGQ-LZLYRXPVSA-N 2 1 371.522 0.152 20 0 FCADMP C[C@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404587 1198133440 /nfs/dbraw/zinc/13/34/40/1198133440.db2.gz PZYGJAPPTUPQGQ-LZLYRXPVSA-N 2 1 371.522 0.152 20 0 FCADMP C[C@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404587 1198133444 /nfs/dbraw/zinc/13/34/44/1198133444.db2.gz PZYGJAPPTUPQGQ-LZLYRXPVSA-N 2 1 371.522 0.152 20 0 FCADMP C[C@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404587 1198133457 /nfs/dbraw/zinc/13/34/57/1198133457.db2.gz PZYGJAPPTUPQGQ-LZLYRXPVSA-N 2 1 371.522 0.152 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001086089868 1198149621 /nfs/dbraw/zinc/14/96/21/1198149621.db2.gz VCLFIAPRVZFTAL-XUWVNRHRSA-N 2 1 363.510 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001086089868 1198149640 /nfs/dbraw/zinc/14/96/40/1198149640.db2.gz VCLFIAPRVZFTAL-XUWVNRHRSA-N 2 1 363.510 0.969 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326517 1198171391 /nfs/dbraw/zinc/17/13/91/1198171391.db2.gz JQDMTKNKENKUED-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326517 1198171405 /nfs/dbraw/zinc/17/14/05/1198171405.db2.gz JQDMTKNKENKUED-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326517 1198171413 /nfs/dbraw/zinc/17/14/13/1198171413.db2.gz JQDMTKNKENKUED-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326517 1198171426 /nfs/dbraw/zinc/17/14/26/1198171426.db2.gz JQDMTKNKENKUED-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C[C@@]2(F)C1=O ZINC001273404023 1198216581 /nfs/dbraw/zinc/21/65/81/1198216581.db2.gz RCWPOADOAMINHA-FSPWUOQZSA-N 2 1 372.460 0.522 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C[C@@]2(F)C1=O ZINC001273404023 1198216593 /nfs/dbraw/zinc/21/65/93/1198216593.db2.gz RCWPOADOAMINHA-FSPWUOQZSA-N 2 1 372.460 0.522 20 0 FCADMP C[C@@H](C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12)[NH+](C)C ZINC001273408776 1198240964 /nfs/dbraw/zinc/24/09/64/1198240964.db2.gz JXXRFULJCSGQFK-XIRDDKMYSA-N 2 1 362.518 0.918 20 0 FCADMP COc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400501 1198355746 /nfs/dbraw/zinc/35/57/46/1198355746.db2.gz JNWQMFXNLBCYOA-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400501 1198355753 /nfs/dbraw/zinc/35/57/53/1198355753.db2.gz JNWQMFXNLBCYOA-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398449 1199065006 /nfs/dbraw/zinc/06/50/06/1199065006.db2.gz RKFZKHMROFXNJT-VSZNYVQBSA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398449 1199065013 /nfs/dbraw/zinc/06/50/13/1199065013.db2.gz RKFZKHMROFXNJT-VSZNYVQBSA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398449 1199065017 /nfs/dbraw/zinc/06/50/17/1199065017.db2.gz RKFZKHMROFXNJT-VSZNYVQBSA-N 2 1 370.490 0.766 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129337499 1199079774 /nfs/dbraw/zinc/07/97/74/1199079774.db2.gz KKPQBCCSNPJXFY-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129337499 1199079779 /nfs/dbraw/zinc/07/97/79/1199079779.db2.gz KKPQBCCSNPJXFY-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369678 1199131114 /nfs/dbraw/zinc/13/11/14/1199131114.db2.gz CWSQRYXYRZFYJG-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369678 1199131116 /nfs/dbraw/zinc/13/11/16/1199131116.db2.gz CWSQRYXYRZFYJG-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369678 1199131117 /nfs/dbraw/zinc/13/11/17/1199131117.db2.gz CWSQRYXYRZFYJG-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)CNC1 ZINC001219722844 1224576151 /nfs/dbraw/zinc/57/61/51/1224576151.db2.gz GAHSXXZTDOVWTJ-KRWDZBQOSA-N 2 1 360.477 0.916 20 0 FCADMP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724129 1224576452 /nfs/dbraw/zinc/57/64/52/1224576452.db2.gz ZEGVGMRJXNZNKT-ZWKOTPCHSA-N 3 1 374.529 0.703 20 0 FCADMP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739503 1224586132 /nfs/dbraw/zinc/58/61/32/1224586132.db2.gz QHIVODHBIXWZEF-MSOLQXFVSA-N 3 1 370.497 0.203 20 0 FCADMP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739503 1224586134 /nfs/dbraw/zinc/58/61/34/1224586134.db2.gz QHIVODHBIXWZEF-MSOLQXFVSA-N 3 1 370.497 0.203 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737179 1224586426 /nfs/dbraw/zinc/58/64/26/1224586426.db2.gz QFGUMKGKCZZQNY-MSOLQXFVSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737179 1224586436 /nfs/dbraw/zinc/58/64/36/1224586436.db2.gz QFGUMKGKCZZQNY-MSOLQXFVSA-N 2 1 358.486 0.345 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384900 1200089380 /nfs/dbraw/zinc/08/93/80/1200089380.db2.gz BLWBLPKRCZLCCH-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384900 1200089393 /nfs/dbraw/zinc/08/93/93/1200089393.db2.gz BLWBLPKRCZLCCH-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384900 1200089402 /nfs/dbraw/zinc/08/94/02/1200089402.db2.gz BLWBLPKRCZLCCH-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385426 1200097918 /nfs/dbraw/zinc/09/79/18/1200097918.db2.gz MNCLSLRHUBJBLC-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385426 1200097927 /nfs/dbraw/zinc/09/79/27/1200097927.db2.gz MNCLSLRHUBJBLC-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385426 1200097935 /nfs/dbraw/zinc/09/79/35/1200097935.db2.gz MNCLSLRHUBJBLC-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001109294195 1200151494 /nfs/dbraw/zinc/15/14/94/1200151494.db2.gz NBOHJXWGZXSROW-OWSLCNJRSA-N 2 1 360.502 0.576 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001109294195 1200151501 /nfs/dbraw/zinc/15/15/01/1200151501.db2.gz NBOHJXWGZXSROW-OWSLCNJRSA-N 2 1 360.502 0.576 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001109471267 1200313025 /nfs/dbraw/zinc/31/30/25/1200313025.db2.gz WRQXDKAOTWGTCK-OWSLCNJRSA-N 2 1 371.485 0.860 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001109471267 1200313035 /nfs/dbraw/zinc/31/30/35/1200313035.db2.gz WRQXDKAOTWGTCK-OWSLCNJRSA-N 2 1 371.485 0.860 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C ZINC001109527167 1200363219 /nfs/dbraw/zinc/36/32/19/1200363219.db2.gz KNONSZMFCHJGJQ-BDXSIMOUSA-N 2 1 364.490 0.947 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(C)C ZINC001109527167 1200363229 /nfs/dbraw/zinc/36/32/29/1200363229.db2.gz KNONSZMFCHJGJQ-BDXSIMOUSA-N 2 1 364.490 0.947 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655007 1200446806 /nfs/dbraw/zinc/44/68/06/1200446806.db2.gz DTYQCSMRIRQMLE-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655007 1200446811 /nfs/dbraw/zinc/44/68/11/1200446811.db2.gz DTYQCSMRIRQMLE-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669317 1200458638 /nfs/dbraw/zinc/45/86/38/1200458638.db2.gz XJACHYCABHNZCY-IKGGRYGDSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669317 1200458646 /nfs/dbraw/zinc/45/86/46/1200458646.db2.gz XJACHYCABHNZCY-IKGGRYGDSA-N 2 1 365.522 0.757 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717141 1200475506 /nfs/dbraw/zinc/47/55/06/1200475506.db2.gz BFUFMCZAZAJMKE-RANZSIQMSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717141 1200475514 /nfs/dbraw/zinc/47/55/14/1200475514.db2.gz BFUFMCZAZAJMKE-RANZSIQMSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717141 1200475520 /nfs/dbraw/zinc/47/55/20/1200475520.db2.gz BFUFMCZAZAJMKE-RANZSIQMSA-N 2 1 366.506 0.345 20 0 FCADMP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794103 1224615630 /nfs/dbraw/zinc/61/56/30/1224615630.db2.gz QOHZQZCYCHBVCN-INIZCTEOSA-N 2 1 359.518 0.930 20 0 FCADMP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794104 1224615675 /nfs/dbraw/zinc/61/56/75/1224615675.db2.gz QOHZQZCYCHBVCN-MRXNPFEDSA-N 2 1 359.518 0.930 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001109868236 1200577821 /nfs/dbraw/zinc/57/78/21/1200577821.db2.gz HRMQQNGJTDMPTB-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001109868236 1200577828 /nfs/dbraw/zinc/57/78/28/1200577828.db2.gz HRMQQNGJTDMPTB-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902296 1200599797 /nfs/dbraw/zinc/59/97/97/1200599797.db2.gz AFTGZSMOCNFMPJ-FSDCSDTHSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902296 1200599806 /nfs/dbraw/zinc/59/98/06/1200599806.db2.gz AFTGZSMOCNFMPJ-FSDCSDTHSA-N 2 1 366.506 0.295 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CC1 ZINC001219804451 1224623734 /nfs/dbraw/zinc/62/37/34/1224623734.db2.gz WMHHFXIYMBIGTR-QYZOEREBSA-N 2 1 359.470 0.718 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CC1 ZINC001219804451 1224623735 /nfs/dbraw/zinc/62/37/35/1224623735.db2.gz WMHHFXIYMBIGTR-QYZOEREBSA-N 2 1 359.470 0.718 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001109980116 1200663119 /nfs/dbraw/zinc/66/31/19/1200663119.db2.gz JEVNIZPBUCPPDJ-OWSLCNJRSA-N 2 1 369.506 0.482 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006930 1200698986 /nfs/dbraw/zinc/69/89/86/1200698986.db2.gz AERFARSHGUNZRG-OWSLCNJRSA-N 2 1 371.522 0.464 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393213 1200706058 /nfs/dbraw/zinc/70/60/58/1200706058.db2.gz DFZNVEYHFOSHJB-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(Cc2ccc3nonc3c2)C[C@@H]1O)C1CCC1 ZINC001219813878 1224629708 /nfs/dbraw/zinc/62/97/08/1224629708.db2.gz IYDJAGWEECFQNQ-SJORKVTESA-N 2 1 359.430 0.368 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CCC1 ZINC001219813878 1224629709 /nfs/dbraw/zinc/62/97/09/1224629709.db2.gz IYDJAGWEECFQNQ-SJORKVTESA-N 2 1 359.430 0.368 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CCC1 ZINC001219813878 1224629710 /nfs/dbraw/zinc/62/97/10/1224629710.db2.gz IYDJAGWEECFQNQ-SJORKVTESA-N 2 1 359.430 0.368 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CCC1 ZINC001219813878 1224629711 /nfs/dbraw/zinc/62/97/11/1224629711.db2.gz IYDJAGWEECFQNQ-SJORKVTESA-N 2 1 359.430 0.368 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112563336 1200795916 /nfs/dbraw/zinc/79/59/16/1200795916.db2.gz QVYKEPRXTQESBH-AOIWGVFYSA-N 2 1 360.506 0.838 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112568000 1200801807 /nfs/dbraw/zinc/80/18/07/1200801807.db2.gz RXEHJFYDJWZHME-DOXZYTNZSA-N 2 1 364.490 0.352 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112568002 1200802324 /nfs/dbraw/zinc/80/23/24/1200802324.db2.gz RXHJSIOAIMZWLV-MPGHIAIKSA-N 2 1 363.510 0.831 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578833 1200817595 /nfs/dbraw/zinc/81/75/95/1200817595.db2.gz JBBNCZILOFZSQJ-UWVAXJGDSA-N 2 1 364.534 0.929 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001112578697 1200817699 /nfs/dbraw/zinc/81/76/99/1200817699.db2.gz BMSVLYBUURDROY-GJYPPUQNSA-N 2 1 363.506 0.182 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112579642 1200819231 /nfs/dbraw/zinc/81/92/31/1200819231.db2.gz ZUMAFTLSHMXOBE-QOKNQOGYSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111448 1200863717 /nfs/dbraw/zinc/86/37/17/1200863717.db2.gz YQAGRNLAMGKLTF-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111449 1200863873 /nfs/dbraw/zinc/86/38/73/1200863873.db2.gz YQAGRNLAMGKLTF-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000787911904 1200919813 /nfs/dbraw/zinc/91/98/13/1200919813.db2.gz QWXYTQLNWJVWJM-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CC[N@@H+]1C ZINC001112866224 1200954871 /nfs/dbraw/zinc/95/48/71/1200954871.db2.gz UPNHAWXVHGELEC-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CC[N@H+]1C ZINC001112866224 1200954876 /nfs/dbraw/zinc/95/48/76/1200954876.db2.gz UPNHAWXVHGELEC-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000790273091 1201064568 /nfs/dbraw/zinc/06/45/68/1201064568.db2.gz CRKGYZBQSSBUTR-OAGGEKHMSA-N 2 1 359.474 0.869 20 0 FCADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365257 1201095506 /nfs/dbraw/zinc/09/55/06/1201095506.db2.gz BVPXCDKEWSTXIO-QRVBRYPASA-N 2 1 361.486 0.483 20 0 FCADMP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365257 1201095519 /nfs/dbraw/zinc/09/55/19/1201095519.db2.gz BVPXCDKEWSTXIO-QRVBRYPASA-N 2 1 361.486 0.483 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O)[NH+](C)C ZINC001219869692 1224663167 /nfs/dbraw/zinc/66/31/67/1224663167.db2.gz RFEGGNSOUDZNMC-QRVBRYPASA-N 2 1 371.485 0.874 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O)[NH+](C)C ZINC001219869692 1224663169 /nfs/dbraw/zinc/66/31/69/1224663169.db2.gz RFEGGNSOUDZNMC-QRVBRYPASA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412156 1201299786 /nfs/dbraw/zinc/29/97/86/1201299786.db2.gz KYXFPTSDUWGEMK-SJORKVTESA-N 2 1 357.462 0.952 20 0 FCADMP CC(C)=CCN1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412156 1201299795 /nfs/dbraw/zinc/29/97/95/1201299795.db2.gz KYXFPTSDUWGEMK-SJORKVTESA-N 2 1 357.462 0.952 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400745 1201306891 /nfs/dbraw/zinc/30/68/91/1201306891.db2.gz ZFKITVLSCQQJTH-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400745 1201306899 /nfs/dbraw/zinc/30/68/99/1201306899.db2.gz ZFKITVLSCQQJTH-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400745 1201306908 /nfs/dbraw/zinc/30/69/08/1201306908.db2.gz ZFKITVLSCQQJTH-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438529 1201317745 /nfs/dbraw/zinc/31/77/45/1201317745.db2.gz WBACEHHHTNVMLE-BBWFWOEESA-N 2 1 364.494 0.267 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461277 1201327497 /nfs/dbraw/zinc/32/74/97/1201327497.db2.gz UIWLZIZNNMTKFO-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461277 1201327503 /nfs/dbraw/zinc/32/75/03/1201327503.db2.gz UIWLZIZNNMTKFO-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129460751 1201327933 /nfs/dbraw/zinc/32/79/33/1201327933.db2.gz NVCIURHKVNJZBR-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129460751 1201327937 /nfs/dbraw/zinc/32/79/37/1201327937.db2.gz NVCIURHKVNJZBR-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129460751 1201327940 /nfs/dbraw/zinc/32/79/40/1201327940.db2.gz NVCIURHKVNJZBR-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899754 1201432929 /nfs/dbraw/zinc/43/29/29/1201432929.db2.gz KJKIQVGKSGJVHI-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129919012 1201440808 /nfs/dbraw/zinc/44/08/08/1201440808.db2.gz OJTBLMQMZIXXQS-CVEARBPZSA-N 2 1 366.510 0.775 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006151 1201476229 /nfs/dbraw/zinc/47/62/29/1201476229.db2.gz VVMWVJBNVJGTLD-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006186 1201476487 /nfs/dbraw/zinc/47/64/87/1201476487.db2.gz WZWYTPFRDJTUAS-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030663 1201480946 /nfs/dbraw/zinc/48/09/46/1201480946.db2.gz LMGQUSAOZYQGGP-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043948 1201484835 /nfs/dbraw/zinc/48/48/35/1201484835.db2.gz IGKUSOSWNPHBHV-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001130079500 1201495983 /nfs/dbraw/zinc/49/59/83/1201495983.db2.gz NASJIANCAOSANG-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107371 1201502761 /nfs/dbraw/zinc/50/27/61/1201502761.db2.gz MNTDGOVKZPZWIU-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130107375 1201502937 /nfs/dbraw/zinc/50/29/37/1201502937.db2.gz MVJUSVKYWUPHQT-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130136971 1201513998 /nfs/dbraw/zinc/51/39/98/1201513998.db2.gz BUCFDXPCYMRXIU-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP COc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130180088 1201524584 /nfs/dbraw/zinc/52/45/84/1201524584.db2.gz ADJCTAJHJOJRDH-CZUORRHYSA-N 2 1 364.446 0.059 20 0 FCADMP COc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130180088 1201524587 /nfs/dbraw/zinc/52/45/87/1201524587.db2.gz ADJCTAJHJOJRDH-CZUORRHYSA-N 2 1 364.446 0.059 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C1CCCCC1 ZINC001130184234 1201535996 /nfs/dbraw/zinc/53/59/96/1201535996.db2.gz HOQJUKHAAAXUSM-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C1CCCCC1 ZINC001130184234 1201535998 /nfs/dbraw/zinc/53/59/98/1201535998.db2.gz HOQJUKHAAAXUSM-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130216191 1201547135 /nfs/dbraw/zinc/54/71/35/1201547135.db2.gz QELZPHJXWDVZQT-DZKIICNBSA-N 2 1 366.510 0.878 20 0 FCADMP CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1)[NH+](C)C ZINC001130221055 1201551017 /nfs/dbraw/zinc/55/10/17/1201551017.db2.gz REEUHMHARJRNFG-ZNMIVQPWSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531953 1202710450 /nfs/dbraw/zinc/71/04/50/1202710450.db2.gz OERVCJAADSQTLQ-CGTJXYLNSA-N 2 1 363.506 0.823 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607632 1202733756 /nfs/dbraw/zinc/73/37/56/1202733756.db2.gz GKGSUXGIWFYKCT-QILLFSRXSA-N 2 1 363.506 0.823 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001220071671 1224744860 /nfs/dbraw/zinc/74/48/60/1224744860.db2.gz MUEUEUKWUWTYAK-KUHUBIRLSA-N 2 1 351.410 0.698 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001220071672 1224744979 /nfs/dbraw/zinc/74/49/79/1224744979.db2.gz MUEUEUKWUWTYAK-LIRRHRJNSA-N 2 1 351.410 0.698 20 0 FCADMP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O)C1CCCCC1 ZINC001220073790 1224746121 /nfs/dbraw/zinc/74/61/21/1224746121.db2.gz MNFFXMWKFPRICX-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O)C1CCCCC1 ZINC001220073790 1224746125 /nfs/dbraw/zinc/74/61/25/1224746125.db2.gz MNFFXMWKFPRICX-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CCCCC1 ZINC001220073790 1224746129 /nfs/dbraw/zinc/74/61/29/1224746129.db2.gz MNFFXMWKFPRICX-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CCCCC1 ZINC001220073790 1224746134 /nfs/dbraw/zinc/74/61/34/1224746134.db2.gz MNFFXMWKFPRICX-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130816159 1202806647 /nfs/dbraw/zinc/80/66/47/1202806647.db2.gz MYOJOLOVCHJQBT-SOUVJXGZSA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130816159 1202806649 /nfs/dbraw/zinc/80/66/49/1202806649.db2.gz MYOJOLOVCHJQBT-SOUVJXGZSA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130816159 1202806653 /nfs/dbraw/zinc/80/66/53/1202806653.db2.gz MYOJOLOVCHJQBT-SOUVJXGZSA-N 2 1 364.494 0.981 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817361 1202807784 /nfs/dbraw/zinc/80/77/84/1202807784.db2.gz MVQFHYXZOLMOBU-SOUVJXGZSA-N 2 1 364.494 0.982 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817361 1202807787 /nfs/dbraw/zinc/80/77/87/1202807787.db2.gz MVQFHYXZOLMOBU-SOUVJXGZSA-N 2 1 364.494 0.982 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817361 1202807789 /nfs/dbraw/zinc/80/77/89/1202807789.db2.gz MVQFHYXZOLMOBU-SOUVJXGZSA-N 2 1 364.494 0.982 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001130989265 1202837586 /nfs/dbraw/zinc/83/75/86/1202837586.db2.gz ZPHVPPCUAAVTRP-BRWVUGGUSA-N 2 1 363.506 0.559 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017818 1202843611 /nfs/dbraw/zinc/84/36/11/1202843611.db2.gz NIOGVQVKZGCYMP-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCO ZINC001131012970 1202844840 /nfs/dbraw/zinc/84/48/40/1202844840.db2.gz VSEWKCKHLKUVGK-BRWVUGGUSA-N 2 1 363.506 0.561 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031566 1202846157 /nfs/dbraw/zinc/84/61/57/1202846157.db2.gz RFDXWXWLZIHSMP-ARFHVFGLSA-N 2 1 360.462 0.544 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070496 1202856536 /nfs/dbraw/zinc/85/65/36/1202856536.db2.gz YPBSCYWSFNKEKY-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001131089593 1202861073 /nfs/dbraw/zinc/86/10/73/1202861073.db2.gz PLGUIJLQFIIUPN-IAGOWNOFSA-N 2 1 363.506 0.827 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131132992 1202869921 /nfs/dbraw/zinc/86/99/21/1202869921.db2.gz WPPMZBUSBPHPGQ-BRWVUGGUSA-N 2 1 363.506 0.681 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001086659139 1202871922 /nfs/dbraw/zinc/87/19/22/1202871922.db2.gz LODHQIABIOXGEB-RRFJBIMHSA-N 2 1 363.510 0.897 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086660097 1202873090 /nfs/dbraw/zinc/87/30/90/1202873090.db2.gz XPUKLJAATDDFTH-XHSDSOJGSA-N 2 1 363.510 0.942 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001170548139 1202878072 /nfs/dbraw/zinc/87/80/72/1202878072.db2.gz CFBOGFMXTXIFNI-CVEARBPZSA-N 2 1 373.501 0.971 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001170548139 1202878073 /nfs/dbraw/zinc/87/80/73/1202878073.db2.gz CFBOGFMXTXIFNI-CVEARBPZSA-N 2 1 373.501 0.971 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552165 1202881803 /nfs/dbraw/zinc/88/18/03/1202881803.db2.gz QRCPIHYDRLZVNW-QBPKDAKJSA-N 2 1 367.490 0.439 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552165 1202881804 /nfs/dbraw/zinc/88/18/04/1202881804.db2.gz QRCPIHYDRLZVNW-QBPKDAKJSA-N 2 1 367.490 0.439 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552165 1202881805 /nfs/dbraw/zinc/88/18/05/1202881805.db2.gz QRCPIHYDRLZVNW-QBPKDAKJSA-N 2 1 367.490 0.439 20 0 FCADMP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001086665141 1202885554 /nfs/dbraw/zinc/88/55/54/1202885554.db2.gz SRQCVNGACYWSHY-UXLLHSPISA-N 2 1 364.494 0.564 20 0 FCADMP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001086665141 1202885555 /nfs/dbraw/zinc/88/55/55/1202885555.db2.gz SRQCVNGACYWSHY-UXLLHSPISA-N 2 1 364.494 0.564 20 0 FCADMP COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318862 1202886669 /nfs/dbraw/zinc/88/66/69/1202886669.db2.gz UXYXTVJPRXXOKS-OAGGEKHMSA-N 2 1 368.478 0.079 20 0 FCADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318862 1202886672 /nfs/dbraw/zinc/88/66/72/1202886672.db2.gz UXYXTVJPRXXOKS-OAGGEKHMSA-N 2 1 368.478 0.079 20 0 FCADMP COCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318862 1202886674 /nfs/dbraw/zinc/88/66/74/1202886674.db2.gz UXYXTVJPRXXOKS-OAGGEKHMSA-N 2 1 368.478 0.079 20 0 FCADMP COCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318862 1202886677 /nfs/dbraw/zinc/88/66/77/1202886677.db2.gz UXYXTVJPRXXOKS-OAGGEKHMSA-N 2 1 368.478 0.079 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131608822 1202920781 /nfs/dbraw/zinc/92/07/81/1202920781.db2.gz PEYVFAUSSHYOBD-MJGOQNOKSA-N 2 1 371.522 0.321 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086716806 1203012088 /nfs/dbraw/zinc/01/20/88/1203012088.db2.gz SABNVRGCFJHLHI-ZNMIVQPWSA-N 2 1 357.462 0.964 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086717150 1203013154 /nfs/dbraw/zinc/01/31/54/1203013154.db2.gz JPXZJJQFCPNHIY-RRFJBIMHSA-N 2 1 357.462 0.964 20 0 FCADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126256 1203015407 /nfs/dbraw/zinc/01/54/07/1203015407.db2.gz HWKJFXNXAMFTOV-SQNIBIBYSA-N 2 1 358.486 0.658 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3ncnn3C)C1)CC2 ZINC001086787465 1203093658 /nfs/dbraw/zinc/09/36/58/1203093658.db2.gz SUEKLHGCHVGCOT-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP CC[C@@]([NH3+])(CO)Nc1nccc(C[N@H+]2CC[C@@H](CO)C2)c1C(OC)OC ZINC001170857162 1203098520 /nfs/dbraw/zinc/09/85/20/1203098520.db2.gz DHJKFNGEMGYNQC-ACJLOTCBSA-N 2 1 368.478 0.656 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3ncnn3C)C1)C2 ZINC001086803261 1203101662 /nfs/dbraw/zinc/10/16/62/1203101662.db2.gz ZLFLVLJNYIMZFK-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000817975275 1203129791 /nfs/dbraw/zinc/12/97/91/1203129791.db2.gz SMWRUVNWHPYPQA-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1c(C)cc(C)nc1=O ZINC001136541939 1203223645 /nfs/dbraw/zinc/22/36/45/1203223645.db2.gz SEBWDICKVFXDJQ-KRWDZBQOSA-N 2 1 363.506 0.735 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000824928723 1203305768 /nfs/dbraw/zinc/30/57/68/1203305768.db2.gz LKHZMXLOQCTVBL-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090866944 1203319846 /nfs/dbraw/zinc/31/98/46/1203319846.db2.gz SQRUOVJLMVKDPU-GVDBMIGSSA-N 2 1 360.458 0.159 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143682248 1203325007 /nfs/dbraw/zinc/32/50/07/1203325007.db2.gz VGLPCAPDDMKGPT-IRXDYDNUSA-N 3 1 361.490 0.686 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143682248 1203325011 /nfs/dbraw/zinc/32/50/11/1203325011.db2.gz VGLPCAPDDMKGPT-IRXDYDNUSA-N 3 1 361.490 0.686 20 0 FCADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000844004106 1203329121 /nfs/dbraw/zinc/32/91/21/1203329121.db2.gz XVBVHHSYNPINRM-GNJLHFKMSA-N 2 1 359.470 0.918 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844173002 1203337793 /nfs/dbraw/zinc/33/77/93/1203337793.db2.gz MCNWUBLOPGUCGT-IRXDYDNUSA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844173002 1203337795 /nfs/dbraw/zinc/33/77/95/1203337795.db2.gz MCNWUBLOPGUCGT-IRXDYDNUSA-N 2 1 360.458 0.843 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228254 1224809637 /nfs/dbraw/zinc/80/96/37/1224809637.db2.gz GFEAMKDWLIHPAL-YKCBXCCJSA-N 2 1 372.469 0.142 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@@H]1O ZINC001220273443 1224818715 /nfs/dbraw/zinc/81/87/15/1224818715.db2.gz LDUWZFHRSBFBFO-MSOLQXFVSA-N 2 1 365.474 0.195 20 0 FCADMP COc1ccc(COCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220276841 1224819161 /nfs/dbraw/zinc/81/91/61/1224819161.db2.gz LNYGLTNNGGLFEF-MSOLQXFVSA-N 2 1 365.474 0.325 20 0 FCADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000844224578 1204379987 /nfs/dbraw/zinc/37/99/87/1204379987.db2.gz HTPPWNVBFCUYKW-KDOFPFPSSA-N 2 1 363.506 0.906 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221183 1204380037 /nfs/dbraw/zinc/38/00/37/1204380037.db2.gz JQPOYLSCPRHXFG-NVXWUHKLSA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221183 1204380042 /nfs/dbraw/zinc/38/00/42/1204380042.db2.gz JQPOYLSCPRHXFG-NVXWUHKLSA-N 2 1 359.474 0.278 20 0 FCADMP CCn1cc(CC[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001091096914 1204514061 /nfs/dbraw/zinc/51/40/61/1204514061.db2.gz FVVYGIVTCGPGHI-AGERRDQYSA-N 2 1 363.506 0.649 20 0 FCADMP CCn1cc(CC[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001091096914 1204514068 /nfs/dbraw/zinc/51/40/68/1204514068.db2.gz FVVYGIVTCGPGHI-AGERRDQYSA-N 2 1 363.506 0.649 20 0 FCADMP COCC[NH+]1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845504775 1204522244 /nfs/dbraw/zinc/52/22/44/1204522244.db2.gz DPTVEVPMUHIFPI-HNNXBMFYSA-N 2 1 372.510 0.622 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351663 1224839083 /nfs/dbraw/zinc/83/90/83/1224839083.db2.gz DFXUEHQWSLMNMG-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351663 1224839091 /nfs/dbraw/zinc/83/90/91/1224839091.db2.gz DFXUEHQWSLMNMG-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345446 1224836250 /nfs/dbraw/zinc/83/62/50/1224836250.db2.gz WJSSMCXJNBUZMC-KURKYZTESA-N 2 1 365.522 0.782 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345446 1224836253 /nfs/dbraw/zinc/83/62/53/1224836253.db2.gz WJSSMCXJNBUZMC-KURKYZTESA-N 2 1 365.522 0.782 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351663 1224839077 /nfs/dbraw/zinc/83/90/77/1224839077.db2.gz DFXUEHQWSLMNMG-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(CC[NH3+])CC1)C2=O ZINC000846225518 1204601633 /nfs/dbraw/zinc/60/16/33/1204601633.db2.gz NVEWEFGDPHPPPB-UHFFFAOYSA-N 2 1 365.478 0.579 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000846326931 1204614427 /nfs/dbraw/zinc/61/44/27/1204614427.db2.gz FRAQRZLDFBHFSL-UHFFFAOYSA-N 2 1 370.457 0.779 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355393 1224840910 /nfs/dbraw/zinc/84/09/10/1224840910.db2.gz OFFDBSPSXOSSBO-QRQLOZEOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355393 1224840916 /nfs/dbraw/zinc/84/09/16/1224840916.db2.gz OFFDBSPSXOSSBO-QRQLOZEOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355393 1224840918 /nfs/dbraw/zinc/84/09/18/1224840918.db2.gz OFFDBSPSXOSSBO-QRQLOZEOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355393 1224840924 /nfs/dbraw/zinc/84/09/24/1224840924.db2.gz OFFDBSPSXOSSBO-QRQLOZEOSA-N 2 1 361.486 0.706 20 0 FCADMP [NH3+]CCCNCC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358284 1224841965 /nfs/dbraw/zinc/84/19/65/1224841965.db2.gz QMJTUYFBIOFSLZ-IAGOWNOFSA-N 2 1 362.474 0.500 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC001144933231 1204659939 /nfs/dbraw/zinc/65/99/39/1204659939.db2.gz MLEZXMTZENEKSN-QGZVFWFLSA-N 2 1 370.457 0.746 20 0 FCADMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898752 1204672457 /nfs/dbraw/zinc/67/24/57/1204672457.db2.gz CASQXANYQZEKCJ-DLBZAZTESA-N 2 1 370.538 0.926 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898752 1204672464 /nfs/dbraw/zinc/67/24/64/1204672464.db2.gz CASQXANYQZEKCJ-DLBZAZTESA-N 2 1 370.538 0.926 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O)CC(C)(C)C ZINC001220367383 1224844910 /nfs/dbraw/zinc/84/49/10/1224844910.db2.gz WBRXYSSGYRUUJO-MSOLQXFVSA-N 2 1 363.502 0.818 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)CC(C)(C)C ZINC001220367383 1224844911 /nfs/dbraw/zinc/84/49/11/1224844911.db2.gz WBRXYSSGYRUUJO-MSOLQXFVSA-N 2 1 363.502 0.818 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)CC(C)(C)C ZINC001220367383 1224844916 /nfs/dbraw/zinc/84/49/16/1224844916.db2.gz WBRXYSSGYRUUJO-MSOLQXFVSA-N 2 1 363.502 0.818 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373005 1224847634 /nfs/dbraw/zinc/84/76/34/1224847634.db2.gz VIUSJPGUMXOOEC-UHOSZYNNSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373005 1224847635 /nfs/dbraw/zinc/84/76/35/1224847635.db2.gz VIUSJPGUMXOOEC-UHOSZYNNSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373005 1224847642 /nfs/dbraw/zinc/84/76/42/1224847642.db2.gz VIUSJPGUMXOOEC-UHOSZYNNSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373005 1224847644 /nfs/dbraw/zinc/84/76/44/1224847644.db2.gz VIUSJPGUMXOOEC-UHOSZYNNSA-N 2 1 363.502 0.483 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O)[NH+](C)C ZINC001220381516 1224849700 /nfs/dbraw/zinc/84/97/00/1224849700.db2.gz RFEGGNSOUDZNMC-QYZOEREBSA-N 2 1 371.485 0.874 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O)[NH+](C)C ZINC001220381516 1224849702 /nfs/dbraw/zinc/84/97/02/1224849702.db2.gz RFEGGNSOUDZNMC-QYZOEREBSA-N 2 1 371.485 0.874 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091678782 1204818254 /nfs/dbraw/zinc/81/82/54/1204818254.db2.gz OKRSOVNOZFIUMY-MDZRGWNJSA-N 2 1 363.506 0.874 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387372 1224853328 /nfs/dbraw/zinc/85/33/28/1224853328.db2.gz IXKBJONAESPVKY-JQHSSLGASA-N 2 1 369.506 0.075 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716138 1204831333 /nfs/dbraw/zinc/83/13/33/1204831333.db2.gz KOTWPKNGRLESHK-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721175 1204833043 /nfs/dbraw/zinc/83/30/43/1204833043.db2.gz USFJWIQWTCIGON-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721175 1204833044 /nfs/dbraw/zinc/83/30/44/1204833044.db2.gz USFJWIQWTCIGON-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721175 1204833048 /nfs/dbraw/zinc/83/30/48/1204833048.db2.gz USFJWIQWTCIGON-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721175 1204833049 /nfs/dbraw/zinc/83/30/49/1204833049.db2.gz USFJWIQWTCIGON-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721175 1204833050 /nfs/dbraw/zinc/83/30/50/1204833050.db2.gz USFJWIQWTCIGON-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091738284 1204837499 /nfs/dbraw/zinc/83/74/99/1204837499.db2.gz SXSHTXGHRMWIOV-MDZRGWNJSA-N 2 1 369.473 0.833 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091738284 1204837501 /nfs/dbraw/zinc/83/75/01/1204837501.db2.gz SXSHTXGHRMWIOV-MDZRGWNJSA-N 2 1 369.473 0.833 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993762 1204885045 /nfs/dbraw/zinc/88/50/45/1204885045.db2.gz QFDCKYIUWVCBOJ-KSZLIROESA-N 2 1 363.506 0.823 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993762 1204885046 /nfs/dbraw/zinc/88/50/46/1204885046.db2.gz QFDCKYIUWVCBOJ-KSZLIROESA-N 2 1 363.506 0.823 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086982096 1204886559 /nfs/dbraw/zinc/88/65/59/1204886559.db2.gz SYSGTAAZPXUUTM-BPQIPLTHSA-N 2 1 363.506 0.274 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087009634 1204897245 /nfs/dbraw/zinc/89/72/45/1204897245.db2.gz QJBIBFHUKBUXET-RYQLBKOJSA-N 2 1 371.489 0.153 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087034970 1204910193 /nfs/dbraw/zinc/91/01/93/1204910193.db2.gz GGCXUPJMEZXDRI-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087034919 1204910363 /nfs/dbraw/zinc/91/03/63/1204910363.db2.gz DBCRPSHRSJQVIF-BPQIPLTHSA-N 2 1 363.506 0.950 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087038632 1204917758 /nfs/dbraw/zinc/91/77/58/1204917758.db2.gz QMARBYTUWCZKLP-DJIMGWMZSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087038632 1204917761 /nfs/dbraw/zinc/91/77/61/1204917761.db2.gz QMARBYTUWCZKLP-DJIMGWMZSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087055327 1204935072 /nfs/dbraw/zinc/93/50/72/1204935072.db2.gz HAVQBPHRTZUNJH-QBPKDAKJSA-N 2 1 361.490 0.770 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087063192 1204950791 /nfs/dbraw/zinc/95/07/91/1204950791.db2.gz MFOHVIDVAIEESN-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083732 1204970994 /nfs/dbraw/zinc/97/09/94/1204970994.db2.gz QLYODIXLMGADRJ-BRWVUGGUSA-N 2 1 361.490 0.914 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083519 1204971532 /nfs/dbraw/zinc/97/15/32/1204971532.db2.gz IQSOXYFUQJNKCC-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083922 1204972117 /nfs/dbraw/zinc/97/21/17/1204972117.db2.gz XWPPYUDEVZSZNS-CGTJXYLNSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087083933 1204972833 /nfs/dbraw/zinc/97/28/33/1204972833.db2.gz YLNPCANBRKIOFT-GVDBMIGSSA-N 2 1 361.490 0.772 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087101130 1204998455 /nfs/dbraw/zinc/99/84/55/1204998455.db2.gz VALOZFNYIWOYRC-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087100920 1204998774 /nfs/dbraw/zinc/99/87/74/1204998774.db2.gz LEZFNEVTTVBNJF-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087102057 1205000695 /nfs/dbraw/zinc/00/06/95/1205000695.db2.gz MDPQTSQROVYXER-OIISXLGYSA-N 2 1 366.462 0.348 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087102057 1205000698 /nfs/dbraw/zinc/00/06/98/1205000698.db2.gz MDPQTSQROVYXER-OIISXLGYSA-N 2 1 366.462 0.348 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087102511 1205001316 /nfs/dbraw/zinc/00/13/16/1205001316.db2.gz HFZZYCPNBRHSJH-HYVNUMGLSA-N 2 1 365.478 0.897 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782949 1205027988 /nfs/dbraw/zinc/02/79/88/1205027988.db2.gz NAZOWBCPDUJJRF-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782949 1205027993 /nfs/dbraw/zinc/02/79/93/1205027993.db2.gz NAZOWBCPDUJJRF-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782949 1205027999 /nfs/dbraw/zinc/02/79/99/1205027999.db2.gz NAZOWBCPDUJJRF-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782949 1205028002 /nfs/dbraw/zinc/02/80/02/1205028002.db2.gz NAZOWBCPDUJJRF-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091824458 1205045013 /nfs/dbraw/zinc/04/50/13/1205045013.db2.gz ZDJQTDHYHNGZCN-MUKKUYKPSA-N 2 1 355.442 0.863 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071428 1205134766 /nfs/dbraw/zinc/13/47/66/1205134766.db2.gz VLHXFJGSKSYGKL-APWZRJJASA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071428 1205134767 /nfs/dbraw/zinc/13/47/67/1205134767.db2.gz VLHXFJGSKSYGKL-APWZRJJASA-N 2 1 360.506 0.827 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092071545 1205134790 /nfs/dbraw/zinc/13/47/90/1205134790.db2.gz AEUQRGUVFULDBM-MJGOQNOKSA-N 2 1 360.506 0.790 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC001092101445 1205157459 /nfs/dbraw/zinc/15/74/59/1205157459.db2.gz DWMOJTBADSCYNJ-NSHGMRRFSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001092101445 1205157461 /nfs/dbraw/zinc/15/74/61/1205157461.db2.gz DWMOJTBADSCYNJ-NSHGMRRFSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092135463 1205178507 /nfs/dbraw/zinc/17/85/07/1205178507.db2.gz IVZNIZCUAXNRTJ-MUKKUYKPSA-N 2 1 368.441 0.535 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092135463 1205178509 /nfs/dbraw/zinc/17/85/09/1205178509.db2.gz IVZNIZCUAXNRTJ-MUKKUYKPSA-N 2 1 368.441 0.535 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204313 1205197232 /nfs/dbraw/zinc/19/72/32/1205197232.db2.gz YKBSOLLQGSJKKA-KSMMKXTCSA-N 2 1 359.474 0.676 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092204054 1205197576 /nfs/dbraw/zinc/19/75/76/1205197576.db2.gz PFSVWVMDHYSZFI-KUHUBIRLSA-N 2 1 359.474 0.630 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CC1 ZINC001220444016 1224874336 /nfs/dbraw/zinc/87/43/36/1224874336.db2.gz DXKBYRVSSDDELG-IXDOHACOSA-N 2 1 364.490 0.983 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CC1 ZINC001220444016 1224874340 /nfs/dbraw/zinc/87/43/40/1224874340.db2.gz DXKBYRVSSDDELG-IXDOHACOSA-N 2 1 364.490 0.983 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001092302858 1205235509 /nfs/dbraw/zinc/23/55/09/1205235509.db2.gz APCLLQQRTWYWQT-KPFFTGBYSA-N 2 1 364.534 0.975 20 0 FCADMP COc1ccnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)c1 ZINC001092522211 1205302571 /nfs/dbraw/zinc/30/25/71/1205302571.db2.gz MIRMJZPFYLOTHR-RKVPGOIHSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)c1 ZINC001092522211 1205302574 /nfs/dbraw/zinc/30/25/74/1205302574.db2.gz MIRMJZPFYLOTHR-RKVPGOIHSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)c1 ZINC001092522211 1205302576 /nfs/dbraw/zinc/30/25/76/1205302576.db2.gz MIRMJZPFYLOTHR-RKVPGOIHSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)c1 ZINC001092522211 1205302579 /nfs/dbraw/zinc/30/25/79/1205302579.db2.gz MIRMJZPFYLOTHR-RKVPGOIHSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523391 1205302637 /nfs/dbraw/zinc/30/26/37/1205302637.db2.gz JBDZDELBYQMRJV-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523391 1205302641 /nfs/dbraw/zinc/30/26/41/1205302641.db2.gz JBDZDELBYQMRJV-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523391 1205302644 /nfs/dbraw/zinc/30/26/44/1205302644.db2.gz JBDZDELBYQMRJV-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523391 1205302648 /nfs/dbraw/zinc/30/26/48/1205302648.db2.gz JBDZDELBYQMRJV-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524483 1205303100 /nfs/dbraw/zinc/30/31/00/1205303100.db2.gz ZCHPSEGIIDOAPL-NXHRZFHOSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524483 1205303104 /nfs/dbraw/zinc/30/31/04/1205303104.db2.gz ZCHPSEGIIDOAPL-NXHRZFHOSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524483 1205303106 /nfs/dbraw/zinc/30/31/06/1205303106.db2.gz ZCHPSEGIIDOAPL-NXHRZFHOSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092524483 1205303110 /nfs/dbraw/zinc/30/31/10/1205303110.db2.gz ZCHPSEGIIDOAPL-NXHRZFHOSA-N 2 1 363.506 0.460 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524370 1205303404 /nfs/dbraw/zinc/30/34/04/1205303404.db2.gz WPKYRXARGDXKCY-ATZDWAIDSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524370 1205303406 /nfs/dbraw/zinc/30/34/06/1205303406.db2.gz WPKYRXARGDXKCY-ATZDWAIDSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092524370 1205303408 /nfs/dbraw/zinc/30/34/08/1205303408.db2.gz WPKYRXARGDXKCY-ATZDWAIDSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092524370 1205303411 /nfs/dbraw/zinc/30/34/11/1205303411.db2.gz WPKYRXARGDXKCY-ATZDWAIDSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774485 1205354018 /nfs/dbraw/zinc/35/40/18/1205354018.db2.gz PBSNRLGNFNPFON-RBSFLKMASA-N 2 1 362.474 0.104 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774014 1205354036 /nfs/dbraw/zinc/35/40/36/1205354036.db2.gz FLNLJBCAOICLNV-RBSFLKMASA-N 2 1 361.494 0.584 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774014 1205354039 /nfs/dbraw/zinc/35/40/39/1205354039.db2.gz FLNLJBCAOICLNV-RBSFLKMASA-N 2 1 361.494 0.584 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001220521270 1224904101 /nfs/dbraw/zinc/90/41/01/1224904101.db2.gz AZDBSGGQECFVQK-AWEZNQCLSA-N 3 1 364.490 0.377 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910384 1205941121 /nfs/dbraw/zinc/94/11/21/1205941121.db2.gz BRYXQXGPFKOWJK-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910384 1205941123 /nfs/dbraw/zinc/94/11/23/1205941123.db2.gz BRYXQXGPFKOWJK-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910384 1205941124 /nfs/dbraw/zinc/94/11/24/1205941124.db2.gz BRYXQXGPFKOWJK-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)cc1 ZINC001220545677 1224919695 /nfs/dbraw/zinc/91/96/95/1224919695.db2.gz JZOQHQDGOAJQCL-CVEARBPZSA-N 2 1 371.428 0.805 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)cc1 ZINC001220545677 1224919699 /nfs/dbraw/zinc/91/96/99/1224919699.db2.gz JZOQHQDGOAJQCL-CVEARBPZSA-N 2 1 371.428 0.805 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093121221 1206027532 /nfs/dbraw/zinc/02/75/32/1206027532.db2.gz ZPZWOWHGHVJNPX-RVKKMQEKSA-N 2 1 364.534 0.927 20 0 FCADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553571 1224925775 /nfs/dbraw/zinc/92/57/75/1224925775.db2.gz LMMNLXVLRWCCCP-UHOSZYNNSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553571 1224925784 /nfs/dbraw/zinc/92/57/84/1224925784.db2.gz LMMNLXVLRWCCCP-UHOSZYNNSA-N 2 1 361.486 0.940 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208797 1206057141 /nfs/dbraw/zinc/05/71/41/1206057141.db2.gz GVAWNZRCNGSWCD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208797 1206057145 /nfs/dbraw/zinc/05/71/45/1206057145.db2.gz GVAWNZRCNGSWCD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208797 1206057148 /nfs/dbraw/zinc/05/71/48/1206057148.db2.gz GVAWNZRCNGSWCD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)C1 ZINC001093208797 1206057151 /nfs/dbraw/zinc/05/71/51/1206057151.db2.gz GVAWNZRCNGSWCD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224900 1206063041 /nfs/dbraw/zinc/06/30/41/1206063041.db2.gz GAIFLPPVCPXJQX-QGPMSJSTSA-N 2 1 358.486 0.934 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CC4CCC4)nn3)C2)O1 ZINC001093324146 1206075023 /nfs/dbraw/zinc/07/50/23/1206075023.db2.gz RZVTXFOHQDAWAV-CXAGYDPISA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CC4CCC4)nn3)C2)O1 ZINC001093324146 1206075026 /nfs/dbraw/zinc/07/50/26/1206075026.db2.gz RZVTXFOHQDAWAV-CXAGYDPISA-N 2 1 362.478 0.270 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465513 1206084746 /nfs/dbraw/zinc/08/47/46/1206084746.db2.gz KBRDIMVBKJQLEJ-HBXLWWENSA-N 2 1 367.534 0.677 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001093674600 1206099880 /nfs/dbraw/zinc/09/98/80/1206099880.db2.gz KXSBKNGKSBKZCR-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093821909 1206124252 /nfs/dbraw/zinc/12/42/52/1206124252.db2.gz IDMWOGFUKYAOKC-BFYDXBDKSA-N 2 1 360.462 0.686 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093826048 1206124317 /nfs/dbraw/zinc/12/43/17/1206124317.db2.gz ZMZKMAYJENFMMK-INMHGKMJSA-N 2 1 360.506 0.934 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857765 1206135091 /nfs/dbraw/zinc/13/50/91/1206135091.db2.gz WVSBJCFFJCEILX-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857765 1206135101 /nfs/dbraw/zinc/13/51/01/1206135101.db2.gz WVSBJCFFJCEILX-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)CC2 ZINC001093996501 1206165901 /nfs/dbraw/zinc/16/59/01/1206165901.db2.gz FKSYGQGONHCMFW-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041912 1206174403 /nfs/dbraw/zinc/17/44/03/1206174403.db2.gz IDHSYIQWFQWJPO-ARFHVFGLSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094165027 1206197609 /nfs/dbraw/zinc/19/76/09/1206197609.db2.gz INFMVISJOSBCJH-QLFBSQMISA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094219407 1206203410 /nfs/dbraw/zinc/20/34/10/1206203410.db2.gz JUILBQDULWWRGW-OWCLPIDISA-N 2 1 360.506 0.750 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001094221318 1206203670 /nfs/dbraw/zinc/20/36/70/1206203670.db2.gz HETHLJDFCFMTRM-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001094221844 1206203674 /nfs/dbraw/zinc/20/36/74/1206203674.db2.gz YJGUXNLLCOYWGL-HYVNUMGLSA-N 2 1 361.490 0.792 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)C1 ZINC001094232401 1206208294 /nfs/dbraw/zinc/20/82/94/1206208294.db2.gz VMYVMGRCEZQLMI-FMKPAKJESA-N 2 1 366.462 0.588 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)C1 ZINC001094232401 1206208296 /nfs/dbraw/zinc/20/82/96/1206208296.db2.gz VMYVMGRCEZQLMI-FMKPAKJESA-N 2 1 366.462 0.588 20 0 FCADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001171866034 1206252501 /nfs/dbraw/zinc/25/25/01/1206252501.db2.gz HQSRYTWLVDAGKO-IBGZPJMESA-N 2 1 363.502 0.948 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@@H]45)n3)c2)CC1 ZINC001212628572 1206252816 /nfs/dbraw/zinc/25/28/16/1206252816.db2.gz CZTDGNAWKFRASH-HZPDHXFCSA-N 2 1 368.441 0.806 20 0 FCADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001171866035 1206252858 /nfs/dbraw/zinc/25/28/58/1206252858.db2.gz HQSRYTWLVDAGKO-LJQANCHMSA-N 2 1 363.502 0.948 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CCC2 ZINC001172172519 1206259029 /nfs/dbraw/zinc/25/90/29/1206259029.db2.gz FIKWBLPUYCCPGL-HZPDHXFCSA-N 2 1 359.474 0.664 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568212 1224938670 /nfs/dbraw/zinc/93/86/70/1224938670.db2.gz ASLXUZQLJQXGGT-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568212 1224938681 /nfs/dbraw/zinc/93/86/81/1224938681.db2.gz ASLXUZQLJQXGGT-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568212 1224938691 /nfs/dbraw/zinc/93/86/91/1224938691.db2.gz ASLXUZQLJQXGGT-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568212 1224938698 /nfs/dbraw/zinc/93/86/98/1224938698.db2.gz ASLXUZQLJQXGGT-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220570863 1224940176 /nfs/dbraw/zinc/94/01/76/1224940176.db2.gz BPEBZHYYVOSCDF-OXJNMPFZSA-N 2 1 356.470 0.161 20 0 FCADMP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580221 1206282727 /nfs/dbraw/zinc/28/27/27/1206282727.db2.gz RQRSRZIDLRNQGQ-QKDCVEJESA-N 2 1 372.462 0.544 20 0 FCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580221 1206282729 /nfs/dbraw/zinc/28/27/29/1206282729.db2.gz RQRSRZIDLRNQGQ-QKDCVEJESA-N 2 1 372.462 0.544 20 0 FCADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760858 1206288799 /nfs/dbraw/zinc/28/87/99/1206288799.db2.gz KJDYDIUISCUSGU-ZBRFXRBCSA-N 2 1 371.493 0.843 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760858 1206288802 /nfs/dbraw/zinc/28/88/02/1206288802.db2.gz KJDYDIUISCUSGU-ZBRFXRBCSA-N 2 1 371.493 0.843 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760858 1206288804 /nfs/dbraw/zinc/28/88/04/1206288804.db2.gz KJDYDIUISCUSGU-ZBRFXRBCSA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760858 1206288806 /nfs/dbraw/zinc/28/88/06/1206288806.db2.gz KJDYDIUISCUSGU-ZBRFXRBCSA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760858 1206288810 /nfs/dbraw/zinc/28/88/10/1206288810.db2.gz KJDYDIUISCUSGU-ZBRFXRBCSA-N 2 1 371.493 0.843 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220582946 1224948357 /nfs/dbraw/zinc/94/83/57/1224948357.db2.gz LYNFLTCKSFGRQD-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810829 1206365772 /nfs/dbraw/zinc/36/57/72/1206365772.db2.gz MEBROAUFQOCWHW-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810829 1206365773 /nfs/dbraw/zinc/36/57/73/1206365773.db2.gz MEBROAUFQOCWHW-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810751 1206365777 /nfs/dbraw/zinc/36/57/77/1206365777.db2.gz KNEPLVVMRQMSBF-IAGOWNOFSA-N 2 1 370.538 0.888 20 0 FCADMP CCCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810751 1206365779 /nfs/dbraw/zinc/36/57/79/1206365779.db2.gz KNEPLVVMRQMSBF-IAGOWNOFSA-N 2 1 370.538 0.888 20 0 FCADMP Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001178981703 1206368586 /nfs/dbraw/zinc/36/85/86/1206368586.db2.gz CEMLFZHJKPVUGO-BFJAYTPKSA-N 2 1 365.478 0.609 20 0 FCADMP Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001178981703 1206368588 /nfs/dbraw/zinc/36/85/88/1206368588.db2.gz CEMLFZHJKPVUGO-BFJAYTPKSA-N 2 1 365.478 0.609 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)cc1 ZINC001220583557 1224949395 /nfs/dbraw/zinc/94/93/95/1224949395.db2.gz ZTBFMUNCESZOSQ-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)cc1 ZINC001220583557 1224949405 /nfs/dbraw/zinc/94/94/05/1224949405.db2.gz ZTBFMUNCESZOSQ-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH+]2CC[C@H]2C1 ZINC001180406386 1206395029 /nfs/dbraw/zinc/39/50/29/1206395029.db2.gz IOGCJMHUFWJJIM-OKZBNKHCSA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001180406386 1206395030 /nfs/dbraw/zinc/39/50/30/1206395030.db2.gz IOGCJMHUFWJJIM-OKZBNKHCSA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001180406386 1206395032 /nfs/dbraw/zinc/39/50/32/1206395032.db2.gz IOGCJMHUFWJJIM-OKZBNKHCSA-N 2 1 357.454 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3ccccc3)C2)CC[N@H+]1C ZINC001182676302 1206441053 /nfs/dbraw/zinc/44/10/53/1206441053.db2.gz FXLRMRLBMYGVHA-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3cc(CNCCO)nn3)C2)CC[N@H+]1C ZINC001185954351 1206488992 /nfs/dbraw/zinc/48/89/92/1206488992.db2.gz LSPIZUKIHKDNOO-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@@H+]1C ZINC001185954351 1206488994 /nfs/dbraw/zinc/48/89/94/1206488994.db2.gz LSPIZUKIHKDNOO-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@H+]1C ZINC001185954351 1206488995 /nfs/dbraw/zinc/48/89/95/1206488995.db2.gz LSPIZUKIHKDNOO-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc(CNCCO)nn3)C2)CC[N@H+]1C ZINC001185954350 1206489225 /nfs/dbraw/zinc/48/92/25/1206489225.db2.gz LSPIZUKIHKDNOO-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@@H+]1C ZINC001185954350 1206489227 /nfs/dbraw/zinc/48/92/27/1206489227.db2.gz LSPIZUKIHKDNOO-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CC[N@H+]1C ZINC001185954350 1206489228 /nfs/dbraw/zinc/48/92/28/1206489228.db2.gz LSPIZUKIHKDNOO-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512797 1206490619 /nfs/dbraw/zinc/49/06/19/1206490619.db2.gz YDYRISAMLIHXAR-DLBZAZTESA-N 2 1 360.502 0.483 20 0 FCADMP COc1ccc(CC[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001186055799 1206492305 /nfs/dbraw/zinc/49/23/05/1206492305.db2.gz UTPYVOLQHXDVLC-SFHVURJKSA-N 2 1 361.486 0.885 20 0 FCADMP COc1ccc(CC[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001186055799 1206492308 /nfs/dbraw/zinc/49/23/08/1206492308.db2.gz UTPYVOLQHXDVLC-SFHVURJKSA-N 2 1 361.486 0.885 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)Nc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001186099305 1206492956 /nfs/dbraw/zinc/49/29/56/1206492956.db2.gz PQINMCKZRFKOIJ-AWEZNQCLSA-N 2 1 361.446 0.267 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618046 1224970645 /nfs/dbraw/zinc/97/06/45/1224970645.db2.gz BRDTVKXYVFMEAU-SJORKVTESA-N 2 1 359.430 0.469 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618046 1224970648 /nfs/dbraw/zinc/97/06/48/1224970648.db2.gz BRDTVKXYVFMEAU-SJORKVTESA-N 2 1 359.430 0.469 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618571 1224972900 /nfs/dbraw/zinc/97/29/00/1224972900.db2.gz XXJHVRSDUZZQPA-SJORKVTESA-N 2 1 359.430 0.469 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618571 1224972905 /nfs/dbraw/zinc/97/29/05/1224972905.db2.gz XXJHVRSDUZZQPA-SJORKVTESA-N 2 1 359.430 0.469 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638273 1224980843 /nfs/dbraw/zinc/98/08/43/1224980843.db2.gz YRAUFPLWXQXGBS-MSOLQXFVSA-N 2 1 371.522 0.321 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC4CC4)C[C@H]32)CC[N@H+]1C ZINC001187971636 1207405546 /nfs/dbraw/zinc/40/55/46/1207405546.db2.gz URINZDRQOCWILA-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001187971636 1207405547 /nfs/dbraw/zinc/40/55/47/1207405547.db2.gz URINZDRQOCWILA-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@H]32)CC[N@H+]1C ZINC001187971636 1207405548 /nfs/dbraw/zinc/40/55/48/1207405548.db2.gz URINZDRQOCWILA-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC[NH+]1C ZINC001187971636 1207405553 /nfs/dbraw/zinc/40/55/53/1207405553.db2.gz URINZDRQOCWILA-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC[NH+]1C ZINC001187971636 1207405557 /nfs/dbraw/zinc/40/55/57/1207405557.db2.gz URINZDRQOCWILA-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245778 1207433593 /nfs/dbraw/zinc/43/35/93/1207433593.db2.gz AUGAWAUWHWCQEQ-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245778 1207433595 /nfs/dbraw/zinc/43/35/95/1207433595.db2.gz AUGAWAUWHWCQEQ-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245778 1207433598 /nfs/dbraw/zinc/43/35/98/1207433598.db2.gz AUGAWAUWHWCQEQ-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212110 1207434729 /nfs/dbraw/zinc/43/47/29/1207434729.db2.gz DLKXHEPYNGPUQF-FUHWJXTLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212110 1207434730 /nfs/dbraw/zinc/43/47/30/1207434730.db2.gz DLKXHEPYNGPUQF-FUHWJXTLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212110 1207434731 /nfs/dbraw/zinc/43/47/31/1207434731.db2.gz DLKXHEPYNGPUQF-FUHWJXTLSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405423 1207454750 /nfs/dbraw/zinc/45/47/50/1207454750.db2.gz GOWOJQVQFYAOFS-DOTOQJQBSA-N 2 1 359.474 0.577 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405423 1207454753 /nfs/dbraw/zinc/45/47/53/1207454753.db2.gz GOWOJQVQFYAOFS-DOTOQJQBSA-N 2 1 359.474 0.577 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001188962799 1207493363 /nfs/dbraw/zinc/49/33/63/1207493363.db2.gz GBSVEHSVBWDDDW-DOTOQJQBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001188962799 1207493366 /nfs/dbraw/zinc/49/33/66/1207493366.db2.gz GBSVEHSVBWDDDW-DOTOQJQBSA-N 2 1 362.518 0.920 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118400 1207502934 /nfs/dbraw/zinc/50/29/34/1207502934.db2.gz WCOXXUQHWTYGTC-RYQLBKOJSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118400 1207502941 /nfs/dbraw/zinc/50/29/41/1207502941.db2.gz WCOXXUQHWTYGTC-RYQLBKOJSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118400 1207502949 /nfs/dbraw/zinc/50/29/49/1207502949.db2.gz WCOXXUQHWTYGTC-RYQLBKOJSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127444 1207509009 /nfs/dbraw/zinc/50/90/09/1207509009.db2.gz VYPBFYCYWYVBFN-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127444 1207509016 /nfs/dbraw/zinc/50/90/16/1207509016.db2.gz VYPBFYCYWYVBFN-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127444 1207509023 /nfs/dbraw/zinc/50/90/23/1207509023.db2.gz VYPBFYCYWYVBFN-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127444 1207509028 /nfs/dbraw/zinc/50/90/28/1207509028.db2.gz VYPBFYCYWYVBFN-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189151707 1207513265 /nfs/dbraw/zinc/51/32/65/1207513265.db2.gz NYBUSBNFOVGKOQ-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189151707 1207513271 /nfs/dbraw/zinc/51/32/71/1207513271.db2.gz NYBUSBNFOVGKOQ-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189151707 1207513275 /nfs/dbraw/zinc/51/32/75/1207513275.db2.gz NYBUSBNFOVGKOQ-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[C@@H](COCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001189182458 1207515048 /nfs/dbraw/zinc/51/50/48/1207515048.db2.gz VESLTFPLEFRIKE-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189484346 1207563972 /nfs/dbraw/zinc/56/39/72/1207563972.db2.gz GPTCXJSIRAVBBO-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189484346 1207563981 /nfs/dbraw/zinc/56/39/81/1207563981.db2.gz GPTCXJSIRAVBBO-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871406 1207614097 /nfs/dbraw/zinc/61/40/97/1207614097.db2.gz NIXUIWJDGQMKMF-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871406 1207614102 /nfs/dbraw/zinc/61/41/02/1207614102.db2.gz NIXUIWJDGQMKMF-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189898857 1207623272 /nfs/dbraw/zinc/62/32/72/1207623272.db2.gz RCLSLWKKSWVCDC-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189898857 1207623278 /nfs/dbraw/zinc/62/32/78/1207623278.db2.gz RCLSLWKKSWVCDC-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189898857 1207623286 /nfs/dbraw/zinc/62/32/86/1207623286.db2.gz RCLSLWKKSWVCDC-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189898857 1207623290 /nfs/dbraw/zinc/62/32/90/1207623290.db2.gz RCLSLWKKSWVCDC-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229392 1207661208 /nfs/dbraw/zinc/66/12/08/1207661208.db2.gz DGLVKNILDHCJOW-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229392 1207661212 /nfs/dbraw/zinc/66/12/12/1207661212.db2.gz DGLVKNILDHCJOW-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CC1 ZINC001193782325 1207888758 /nfs/dbraw/zinc/88/87/58/1207888758.db2.gz WMHHFXIYMBIGTR-GUDVDZBRSA-N 2 1 359.470 0.718 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CC1 ZINC001193782325 1207888759 /nfs/dbraw/zinc/88/87/59/1207888759.db2.gz WMHHFXIYMBIGTR-GUDVDZBRSA-N 2 1 359.470 0.718 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1O)C1CCC1 ZINC001193791673 1207889088 /nfs/dbraw/zinc/88/90/88/1207889088.db2.gz OJWOZXQUKBOFDX-RTBURBONSA-N 2 1 359.470 0.862 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CCC1 ZINC001193791673 1207889091 /nfs/dbraw/zinc/88/90/91/1207889091.db2.gz OJWOZXQUKBOFDX-RTBURBONSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CCC1 ZINC001193791673 1207889094 /nfs/dbraw/zinc/88/90/94/1207889094.db2.gz OJWOZXQUKBOFDX-RTBURBONSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CCC1 ZINC001193791673 1207889096 /nfs/dbraw/zinc/88/90/96/1207889096.db2.gz OJWOZXQUKBOFDX-RTBURBONSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)C1CC1 ZINC001193791949 1207889210 /nfs/dbraw/zinc/88/92/10/1207889210.db2.gz ULGJGNWMNNYKQH-KURKYZTESA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)C1CC1 ZINC001193791949 1207889211 /nfs/dbraw/zinc/88/92/11/1207889211.db2.gz ULGJGNWMNNYKQH-KURKYZTESA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)CCC1 ZINC001193766834 1207891001 /nfs/dbraw/zinc/89/10/01/1207891001.db2.gz YYQULFIVYGSGTI-QZTJIDSGSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)CCC1 ZINC001193766834 1207891004 /nfs/dbraw/zinc/89/10/04/1207891004.db2.gz YYQULFIVYGSGTI-QZTJIDSGSA-N 2 1 361.486 0.849 20 0 FCADMP CC[N@@H+](C)CC(=O)N1Cc2[nH]nc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001273665736 1207893355 /nfs/dbraw/zinc/89/33/55/1207893355.db2.gz CZZSVKDWBCJJQF-UHFFFAOYSA-N 2 1 362.478 0.370 20 0 FCADMP CC[N@H+](C)CC(=O)N1Cc2n[nH]c(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001273665736 1207893357 /nfs/dbraw/zinc/89/33/57/1207893357.db2.gz CZZSVKDWBCJJQF-UHFFFAOYSA-N 2 1 362.478 0.370 20 0 FCADMP CC[N@@H+](C)CC(=O)N1Cc2n[nH]c(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001273665736 1207893359 /nfs/dbraw/zinc/89/33/59/1207893359.db2.gz CZZSVKDWBCJJQF-UHFFFAOYSA-N 2 1 362.478 0.370 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cncc(N2CCN(C)CC2)c1 ZINC001193954909 1207901129 /nfs/dbraw/zinc/90/11/29/1207901129.db2.gz LMYYZVJHAKZOHW-UHFFFAOYSA-N 2 1 361.494 0.511 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001194054332 1207911190 /nfs/dbraw/zinc/91/11/90/1207911190.db2.gz JRMOZQZPJQGFKC-JUOMNGTLSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001194054332 1207911197 /nfs/dbraw/zinc/91/11/97/1207911197.db2.gz JRMOZQZPJQGFKC-JUOMNGTLSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001194054332 1207911200 /nfs/dbraw/zinc/91/12/00/1207911200.db2.gz JRMOZQZPJQGFKC-JUOMNGTLSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001194054332 1207911204 /nfs/dbraw/zinc/91/12/04/1207911204.db2.gz JRMOZQZPJQGFKC-JUOMNGTLSA-N 2 1 373.497 0.970 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O)[NH+](C)C ZINC001194085559 1207914343 /nfs/dbraw/zinc/91/43/43/1207914343.db2.gz CTDJDMZZCTVPSW-KZNAEPCWSA-N 2 1 362.474 0.647 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O)[NH+](C)C ZINC001194085559 1207914354 /nfs/dbraw/zinc/91/43/54/1207914354.db2.gz CTDJDMZZCTVPSW-KZNAEPCWSA-N 2 1 362.474 0.647 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290178 1207934280 /nfs/dbraw/zinc/93/42/80/1207934280.db2.gz PVMTXLPTXNGUDA-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290178 1207934284 /nfs/dbraw/zinc/93/42/84/1207934284.db2.gz PVMTXLPTXNGUDA-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289166 1207934612 /nfs/dbraw/zinc/93/46/12/1207934612.db2.gz AOXFJQUMVZOHQU-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289166 1207934614 /nfs/dbraw/zinc/93/46/14/1207934614.db2.gz AOXFJQUMVZOHQU-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289254 1207934760 /nfs/dbraw/zinc/93/47/60/1207934760.db2.gz GIPNJZPQHGYSMZ-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289254 1207934764 /nfs/dbraw/zinc/93/47/64/1207934764.db2.gz GIPNJZPQHGYSMZ-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001220716547 1225032874 /nfs/dbraw/zinc/03/28/74/1225032874.db2.gz KNXYSSPBTDVNCY-FJIDUMEYSA-N 2 1 358.486 0.804 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CC1 ZINC001194728472 1207974160 /nfs/dbraw/zinc/97/41/60/1207974160.db2.gz ABTUSDWFHGHKIZ-KURKYZTESA-N 2 1 358.442 0.924 20 0 FCADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195006390 1207988738 /nfs/dbraw/zinc/98/87/38/1207988738.db2.gz HPRVLNZQDCQVFD-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195006390 1207988740 /nfs/dbraw/zinc/98/87/40/1207988740.db2.gz HPRVLNZQDCQVFD-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001195660899 1208033755 /nfs/dbraw/zinc/03/37/55/1208033755.db2.gz BDSRYOPJRSCSNJ-RCCFBDPRSA-N 2 1 361.486 0.093 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001195661901 1208034506 /nfs/dbraw/zinc/03/45/06/1208034506.db2.gz VAOSSUYKCKIHAQ-QZTJIDSGSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001195661901 1208034510 /nfs/dbraw/zinc/03/45/10/1208034510.db2.gz VAOSSUYKCKIHAQ-QZTJIDSGSA-N 2 1 361.486 0.836 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001195708099 1208036045 /nfs/dbraw/zinc/03/60/45/1208036045.db2.gz FQUXWUZZWORKKQ-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1O ZINC001195860413 1208041826 /nfs/dbraw/zinc/04/18/26/1208041826.db2.gz XOYPIKOGUHCSGF-RTBURBONSA-N 2 1 371.485 0.663 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)C1 ZINC001196177054 1208063668 /nfs/dbraw/zinc/06/36/68/1208063668.db2.gz RKZPIDVAHJLLFD-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001196177054 1208063671 /nfs/dbraw/zinc/06/36/71/1208063671.db2.gz RKZPIDVAHJLLFD-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001196177054 1208063673 /nfs/dbraw/zinc/06/36/73/1208063673.db2.gz RKZPIDVAHJLLFD-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001196177054 1208063675 /nfs/dbraw/zinc/06/36/75/1208063675.db2.gz RKZPIDVAHJLLFD-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001196177247 1208063782 /nfs/dbraw/zinc/06/37/82/1208063782.db2.gz UTMZLPBZNSWPBL-QXAKKESOSA-N 2 1 361.486 0.959 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251322 1208069002 /nfs/dbraw/zinc/06/90/02/1208069002.db2.gz IFOSGZRPOPQXJH-CGTJXYLNSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251322 1208069004 /nfs/dbraw/zinc/06/90/04/1208069004.db2.gz IFOSGZRPOPQXJH-CGTJXYLNSA-N 2 1 369.506 0.075 20 0 FCADMP CCN(CC)C(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268229 1208070028 /nfs/dbraw/zinc/07/00/28/1208070028.db2.gz CYBFCZNYYFUCFB-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(CC)C(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268229 1208070030 /nfs/dbraw/zinc/07/00/30/1208070030.db2.gz CYBFCZNYYFUCFB-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCCCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268337 1208070077 /nfs/dbraw/zinc/07/00/77/1208070077.db2.gz GJHCPJGOCFITAP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCCCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268337 1208070079 /nfs/dbraw/zinc/07/00/79/1208070079.db2.gz GJHCPJGOCFITAP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804432 1208107523 /nfs/dbraw/zinc/10/75/23/1208107523.db2.gz YAGLTICDHRCZLD-IAGOWNOFSA-N 2 1 367.494 0.036 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001196926580 1208118729 /nfs/dbraw/zinc/11/87/29/1208118729.db2.gz ZTNLFIGWZGOASX-OPQOLIRYSA-N 2 1 364.490 0.948 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001196926580 1208118733 /nfs/dbraw/zinc/11/87/33/1208118733.db2.gz ZTNLFIGWZGOASX-OPQOLIRYSA-N 2 1 364.490 0.948 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001196939511 1208123950 /nfs/dbraw/zinc/12/39/50/1208123950.db2.gz KILCCUNNHSIYPI-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001196939511 1208123953 /nfs/dbraw/zinc/12/39/53/1208123953.db2.gz KILCCUNNHSIYPI-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001197139309 1208137708 /nfs/dbraw/zinc/13/77/08/1208137708.db2.gz LEYMLQKHDIUGQI-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206014 1208146326 /nfs/dbraw/zinc/14/63/26/1208146326.db2.gz DCFIKLFBGQBPDL-KBRIMQKVSA-N 2 1 359.430 0.203 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206014 1208146331 /nfs/dbraw/zinc/14/63/31/1208146331.db2.gz DCFIKLFBGQBPDL-KBRIMQKVSA-N 2 1 359.430 0.203 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CC1 ZINC001197320361 1208153174 /nfs/dbraw/zinc/15/31/74/1208153174.db2.gz YDQLIGCLHCOSJP-KZNAEPCWSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001197428816 1208164292 /nfs/dbraw/zinc/16/42/92/1208164292.db2.gz VPGBICBPTWOCGO-BMGDILEWSA-N 2 1 358.442 0.808 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493471 1208171663 /nfs/dbraw/zinc/17/16/63/1208171663.db2.gz OTZVLDLIAXLWCC-GVDBMIGSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493471 1208171665 /nfs/dbraw/zinc/17/16/65/1208171665.db2.gz OTZVLDLIAXLWCC-GVDBMIGSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493471 1208171667 /nfs/dbraw/zinc/17/16/67/1208171667.db2.gz OTZVLDLIAXLWCC-GVDBMIGSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197493471 1208171672 /nfs/dbraw/zinc/17/16/72/1208171672.db2.gz OTZVLDLIAXLWCC-GVDBMIGSSA-N 2 1 370.538 0.523 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001197536338 1208171868 /nfs/dbraw/zinc/17/18/68/1208171868.db2.gz SMYKLEUDSJIGMS-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001197536338 1208171878 /nfs/dbraw/zinc/17/18/78/1208171878.db2.gz SMYKLEUDSJIGMS-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001197536338 1208171882 /nfs/dbraw/zinc/17/18/82/1208171882.db2.gz SMYKLEUDSJIGMS-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001197536338 1208171886 /nfs/dbraw/zinc/17/18/86/1208171886.db2.gz SMYKLEUDSJIGMS-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742895 1208192392 /nfs/dbraw/zinc/19/23/92/1208192392.db2.gz LANXCYYVVGKRNR-GUDVDZBRSA-N 2 1 371.485 0.737 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004048 1208210779 /nfs/dbraw/zinc/21/07/79/1208210779.db2.gz SFBLDKYHJDFMAV-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004048 1208210782 /nfs/dbraw/zinc/21/07/82/1208210782.db2.gz SFBLDKYHJDFMAV-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004048 1208210784 /nfs/dbraw/zinc/21/07/84/1208210784.db2.gz SFBLDKYHJDFMAV-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001198029690 1208215218 /nfs/dbraw/zinc/21/52/18/1208215218.db2.gz VOTWXRQVKZXGRQ-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001198029690 1208215220 /nfs/dbraw/zinc/21/52/20/1208215220.db2.gz VOTWXRQVKZXGRQ-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001198028835 1208215507 /nfs/dbraw/zinc/21/55/07/1208215507.db2.gz JIECMTDQONDIEC-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001198028835 1208215509 /nfs/dbraw/zinc/21/55/09/1208215509.db2.gz JIECMTDQONDIEC-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001198158271 1208224942 /nfs/dbraw/zinc/22/49/42/1208224942.db2.gz COQUWFMMNSJEOE-WKILWMFISA-N 2 1 373.501 0.944 20 0 FCADMP Cc1ccccc1OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198662385 1208280662 /nfs/dbraw/zinc/28/06/62/1208280662.db2.gz NCPNMRWGCMTUMT-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198662385 1208280666 /nfs/dbraw/zinc/28/06/66/1208280666.db2.gz NCPNMRWGCMTUMT-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198662385 1208280671 /nfs/dbraw/zinc/28/06/71/1208280671.db2.gz NCPNMRWGCMTUMT-RCCFBDPRSA-N 2 1 361.486 0.877 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001198729316 1208284038 /nfs/dbraw/zinc/28/40/38/1208284038.db2.gz IAWVJBKGRLJFMC-IAGOWNOFSA-N 2 1 366.506 0.036 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001198729316 1208284041 /nfs/dbraw/zinc/28/40/41/1208284041.db2.gz IAWVJBKGRLJFMC-IAGOWNOFSA-N 2 1 366.506 0.036 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001199071557 1208316251 /nfs/dbraw/zinc/31/62/51/1208316251.db2.gz ZBNLNDQBZAUMDP-RTBURBONSA-N 2 1 361.486 0.716 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104641 1208318329 /nfs/dbraw/zinc/31/83/29/1208318329.db2.gz PWSHPUYUYOHCKK-USXIJHARSA-N 2 1 368.522 0.325 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1C ZINC001220768363 1225062997 /nfs/dbraw/zinc/06/29/97/1225062997.db2.gz IPFGEBPDTJTNJI-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1C ZINC001220768363 1225063004 /nfs/dbraw/zinc/06/30/04/1225063004.db2.gz IPFGEBPDTJTNJI-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768675 1225063154 /nfs/dbraw/zinc/06/31/54/1225063154.db2.gz YCRYZJRHFVCFID-MSOLQXFVSA-N 2 1 365.474 0.073 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768675 1225063162 /nfs/dbraw/zinc/06/31/62/1225063162.db2.gz YCRYZJRHFVCFID-MSOLQXFVSA-N 2 1 365.474 0.073 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@]2(C1)C[N@H+](CCn1ccnc1)CCO2 ZINC001273855917 1208434356 /nfs/dbraw/zinc/43/43/56/1208434356.db2.gz YYVUQMJPOPNGRP-LJQANCHMSA-N 2 1 363.506 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@]2(C1)C[N@@H+](CCn1ccnc1)CCO2 ZINC001273855917 1208434358 /nfs/dbraw/zinc/43/43/58/1208434358.db2.gz YYVUQMJPOPNGRP-LJQANCHMSA-N 2 1 363.506 0.918 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229460 1208449162 /nfs/dbraw/zinc/44/91/62/1208449162.db2.gz CEMBFSRDFCJNEM-BFYDXBDKSA-N 2 1 368.522 0.543 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229460 1208449165 /nfs/dbraw/zinc/44/91/65/1208449165.db2.gz CEMBFSRDFCJNEM-BFYDXBDKSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829472 1225093198 /nfs/dbraw/zinc/09/31/98/1225093198.db2.gz UTUSNFVOLAEMEX-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829472 1225093205 /nfs/dbraw/zinc/09/32/05/1225093205.db2.gz UTUSNFVOLAEMEX-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829472 1225093208 /nfs/dbraw/zinc/09/32/08/1225093208.db2.gz UTUSNFVOLAEMEX-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829472 1225093215 /nfs/dbraw/zinc/09/32/15/1225093215.db2.gz UTUSNFVOLAEMEX-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220829507 1225094322 /nfs/dbraw/zinc/09/43/22/1225094322.db2.gz VOTWXRQVKZXGRQ-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220829507 1225094330 /nfs/dbraw/zinc/09/43/30/1225094330.db2.gz VOTWXRQVKZXGRQ-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001489843401 1209098237 /nfs/dbraw/zinc/09/82/37/1209098237.db2.gz BUXBBQSUVPECHE-LVQVYYBASA-N 2 1 350.507 0.679 20 0 FCADMP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220903522 1225131320 /nfs/dbraw/zinc/13/13/20/1225131320.db2.gz UIKWCPOHYBUCCI-IBGZPJMESA-N 3 1 374.529 0.989 20 0 FCADMP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220903522 1225131322 /nfs/dbraw/zinc/13/13/22/1225131322.db2.gz UIKWCPOHYBUCCI-IBGZPJMESA-N 2 1 374.529 0.989 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000852749369 1209562804 /nfs/dbraw/zinc/56/28/04/1209562804.db2.gz LIUIULDLRUREOP-ULQDDVLXSA-N 2 1 366.506 0.997 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110718975 1209745396 /nfs/dbraw/zinc/74/53/96/1209745396.db2.gz IMRYREOZUIMXPT-ZJPYXAASSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110718975 1209745401 /nfs/dbraw/zinc/74/54/01/1209745401.db2.gz IMRYREOZUIMXPT-ZJPYXAASSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718975 1209745410 /nfs/dbraw/zinc/74/54/10/1209745410.db2.gz IMRYREOZUIMXPT-ZJPYXAASSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718975 1209745415 /nfs/dbraw/zinc/74/54/15/1209745415.db2.gz IMRYREOZUIMXPT-ZJPYXAASSA-N 2 1 366.506 0.345 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001110734484 1209764014 /nfs/dbraw/zinc/76/40/14/1209764014.db2.gz QPMGSKCJFBGYDP-VQHPVUNQSA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110734484 1209764022 /nfs/dbraw/zinc/76/40/22/1209764022.db2.gz QPMGSKCJFBGYDP-VQHPVUNQSA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110734484 1209764028 /nfs/dbraw/zinc/76/40/28/1209764028.db2.gz QPMGSKCJFBGYDP-VQHPVUNQSA-N 2 1 363.506 0.696 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001110738564 1209770778 /nfs/dbraw/zinc/77/07/78/1209770778.db2.gz IFTOVXCZVIBNKZ-TWMKSMIVSA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001110738564 1209770781 /nfs/dbraw/zinc/77/07/81/1209770781.db2.gz IFTOVXCZVIBNKZ-TWMKSMIVSA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001110738564 1209770785 /nfs/dbraw/zinc/77/07/85/1209770785.db2.gz IFTOVXCZVIBNKZ-TWMKSMIVSA-N 2 1 371.522 0.462 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746301 1209789290 /nfs/dbraw/zinc/78/92/90/1209789290.db2.gz GACLYUJASJHWJC-ZACQAIPSSA-N 2 1 359.474 0.718 20 0 FCADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746301 1209789292 /nfs/dbraw/zinc/78/92/92/1209789292.db2.gz GACLYUJASJHWJC-ZACQAIPSSA-N 2 1 359.474 0.718 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1 ZINC000118100906 1209862805 /nfs/dbraw/zinc/86/28/05/1209862805.db2.gz ZQGKGTKZCUVDEO-OAHLLOKOSA-N 2 1 356.430 0.971 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1 ZINC000118100903 1209862876 /nfs/dbraw/zinc/86/28/76/1209862876.db2.gz ZQGKGTKZCUVDEO-HNNXBMFYSA-N 2 1 356.430 0.971 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000861759302 1209880263 /nfs/dbraw/zinc/88/02/63/1209880263.db2.gz JKQMCWLQJVAWCY-HZPDHXFCSA-N 2 1 361.490 0.119 20 0 FCADMP Cc1ccccc1OCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220978121 1225170981 /nfs/dbraw/zinc/17/09/81/1225170981.db2.gz NCPNMRWGCMTUMT-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978121 1225170987 /nfs/dbraw/zinc/17/09/87/1225170987.db2.gz NCPNMRWGCMTUMT-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978121 1225170991 /nfs/dbraw/zinc/17/09/91/1225170991.db2.gz NCPNMRWGCMTUMT-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000863760839 1209950712 /nfs/dbraw/zinc/95/07/12/1209950712.db2.gz PJPUOYLPPBNBDQ-INIZCTEOSA-N 2 1 361.490 0.073 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(F)C(=O)NCCCn1cc[nH+]c1C ZINC000864958889 1209968827 /nfs/dbraw/zinc/96/88/27/1209968827.db2.gz VYFLAWPLFZQDFL-UHFFFAOYSA-N 2 1 364.425 0.747 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218090 1210044803 /nfs/dbraw/zinc/04/48/03/1210044803.db2.gz ZKGKYQOSIXCNFY-ROUUACIJSA-N 2 1 374.489 0.210 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868305119 1210051261 /nfs/dbraw/zinc/05/12/61/1210051261.db2.gz NTWCTEMLEKZWKD-SHTZXODSSA-N 2 1 359.474 0.621 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276818512 1225192766 /nfs/dbraw/zinc/19/27/66/1225192766.db2.gz OEZJFVAFXXSRJR-DNVCBOLYSA-N 2 1 369.506 0.708 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C(=O)OC(C)(C)C ZINC001276818513 1225193093 /nfs/dbraw/zinc/19/30/93/1225193093.db2.gz OEZJFVAFXXSRJR-HNAYVOBHSA-N 2 1 369.506 0.708 20 0 FCADMP CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000124131009 1210192813 /nfs/dbraw/zinc/19/28/13/1210192813.db2.gz IONXUXVJBLUAJI-SFHVURJKSA-N 2 1 362.478 0.808 20 0 FCADMP CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000124131009 1210192821 /nfs/dbraw/zinc/19/28/21/1210192821.db2.gz IONXUXVJBLUAJI-SFHVURJKSA-N 2 1 362.478 0.808 20 0 FCADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875235952 1210354992 /nfs/dbraw/zinc/35/49/92/1210354992.db2.gz AFJUWSWBLICHLH-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001221073137 1225209331 /nfs/dbraw/zinc/20/93/31/1225209331.db2.gz HVYAEPFZHNUOLS-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001221073137 1225209335 /nfs/dbraw/zinc/20/93/35/1225209335.db2.gz HVYAEPFZHNUOLS-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876781665 1210430004 /nfs/dbraw/zinc/43/00/04/1210430004.db2.gz QFHQHEZFOXYSCS-KRWDZBQOSA-N 2 1 362.522 0.873 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)n1 ZINC001221081280 1225213237 /nfs/dbraw/zinc/21/32/37/1225213237.db2.gz JFTJZHNKZVNTGW-CVEARBPZSA-N 2 1 365.478 0.348 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)n1 ZINC001221081280 1225213241 /nfs/dbraw/zinc/21/32/41/1225213241.db2.gz JFTJZHNKZVNTGW-CVEARBPZSA-N 2 1 365.478 0.348 20 0 FCADMP O=C(NCCO)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877993536 1210452827 /nfs/dbraw/zinc/45/28/27/1210452827.db2.gz PVCITPLZMWLLGC-HXUWFJFHSA-N 2 1 361.486 0.444 20 0 FCADMP O=C(NCCO)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877993536 1210452829 /nfs/dbraw/zinc/45/28/29/1210452829.db2.gz PVCITPLZMWLLGC-HXUWFJFHSA-N 2 1 361.486 0.444 20 0 FCADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)N1CCC2(CC1)OCCO2 ZINC000878746337 1210465166 /nfs/dbraw/zinc/46/51/66/1210465166.db2.gz ATZXJZGGMNKALO-UHFFFAOYSA-N 2 1 360.458 0.959 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081927 1225215077 /nfs/dbraw/zinc/21/50/77/1225215077.db2.gz ZAGPZTFVPNHPIF-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081927 1225215081 /nfs/dbraw/zinc/21/50/81/1225215081.db2.gz ZAGPZTFVPNHPIF-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CC(=O)N1C[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000880309468 1210525172 /nfs/dbraw/zinc/52/51/72/1210525172.db2.gz FRBDDJCDQUUPOX-HDICACEKSA-N 2 1 371.485 0.530 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)n1 ZINC000882482710 1210623291 /nfs/dbraw/zinc/62/32/91/1210623291.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882482710 1210623306 /nfs/dbraw/zinc/62/33/06/1210623306.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2CC)n1 ZINC000882482710 1210623312 /nfs/dbraw/zinc/62/33/12/1210623312.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 2 1 359.474 0.730 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000882636182 1210631274 /nfs/dbraw/zinc/63/12/74/1210631274.db2.gz PFNCVBCIOYKJBO-GOSISDBHSA-N 2 1 364.534 0.774 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000883416430 1210665438 /nfs/dbraw/zinc/66/54/38/1210665438.db2.gz UWRIPIRCKDSZDH-OAHLLOKOSA-N 2 1 363.506 0.739 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883423827 1210665817 /nfs/dbraw/zinc/66/58/17/1210665817.db2.gz WIHLYXJTCSYWQS-MRXNPFEDSA-N 2 1 365.522 0.986 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000883441660 1210666934 /nfs/dbraw/zinc/66/69/34/1210666934.db2.gz UXWZSCJRBWEUGL-SJLPKXTDSA-N 2 1 368.522 0.897 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000883458000 1210669003 /nfs/dbraw/zinc/66/90/03/1210669003.db2.gz UJERAEPGJXGZIG-HZPDHXFCSA-N 2 1 365.522 0.985 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883606129 1210673899 /nfs/dbraw/zinc/67/38/99/1210673899.db2.gz JNHCXRVKRVICGK-YOEHRIQHSA-N 2 1 359.474 0.715 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000884186035 1210721076 /nfs/dbraw/zinc/72/10/76/1210721076.db2.gz OKFVMXUJECZTLA-QGZVFWFLSA-N 2 1 358.486 0.936 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000884277951 1210728020 /nfs/dbraw/zinc/72/80/20/1210728020.db2.gz YREUFIVNOMKPBL-QGZVFWFLSA-N 2 1 352.442 0.673 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000884508179 1210741389 /nfs/dbraw/zinc/74/13/89/1210741389.db2.gz XAOLLKNEVLLUNR-HNNXBMFYSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000884510325 1210741703 /nfs/dbraw/zinc/74/17/03/1210741703.db2.gz DEUNWRQAWVOGOM-RYQLBKOJSA-N 2 1 358.486 0.976 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000884517204 1210743134 /nfs/dbraw/zinc/74/31/34/1210743134.db2.gz HIYSJJUYLXPCNX-UHFFFAOYSA-N 2 1 367.538 0.249 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000884529628 1210745464 /nfs/dbraw/zinc/74/54/64/1210745464.db2.gz SBNVSUYRDVCUBO-QGZVFWFLSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532510 1210745671 /nfs/dbraw/zinc/74/56/71/1210745671.db2.gz KUZZTMGLSFJRBR-KANFNMMFSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000884539494 1210746722 /nfs/dbraw/zinc/74/67/22/1210746722.db2.gz BSOPNVKWNLKHNJ-WMLDXEAASA-N 2 1 360.458 0.083 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[N@H+]1C1CC1 ZINC000884554318 1210749494 /nfs/dbraw/zinc/74/94/94/1210749494.db2.gz QTLYPEWZVAHDPA-IIAWOOMASA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884555461 1210749853 /nfs/dbraw/zinc/74/98/53/1210749853.db2.gz RRHNMNPGSGKUHH-SKDZVZGDSA-N 2 1 356.470 0.416 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000884557487 1210750525 /nfs/dbraw/zinc/75/05/25/1210750525.db2.gz QJLHFPLKDUQDNS-HNAYVOBHSA-N 2 1 368.441 0.260 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000884560208 1210751715 /nfs/dbraw/zinc/75/17/15/1210751715.db2.gz QPZPBEQIBBOEAE-CLCXKQKWSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884576427 1210754146 /nfs/dbraw/zinc/75/41/46/1210754146.db2.gz HIIAFXOLAFHVBK-WMZOPIPTSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884576730 1210755567 /nfs/dbraw/zinc/75/55/67/1210755567.db2.gz OZEHFSXHYDJACI-OAHLLOKOSA-N 2 1 358.486 0.797 20 0 FCADMP C[C@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884592450 1210758283 /nfs/dbraw/zinc/75/82/83/1210758283.db2.gz OCOXBGVLUHSGHL-WNHJNPCNSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884604210 1210761357 /nfs/dbraw/zinc/76/13/57/1210761357.db2.gz BSUKUGCHQMPFQV-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(N2CCCC2)[nH+]1 ZINC000884622281 1210764851 /nfs/dbraw/zinc/76/48/51/1210764851.db2.gz JYRQABVXLZHTAL-OXJNMPFZSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000884623940 1210764979 /nfs/dbraw/zinc/76/49/79/1210764979.db2.gz SLRGSOHNYDVEFL-MAUKXSAKSA-N 2 1 358.486 0.829 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884646439 1210772727 /nfs/dbraw/zinc/77/27/27/1210772727.db2.gz SLOVIDYFRDZALE-CYGHRXIMSA-N 2 1 358.486 0.819 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884675792 1210777247 /nfs/dbraw/zinc/77/72/47/1210777247.db2.gz PYJGQKSGPMGPIB-ZWKOTPCHSA-N 2 1 358.486 0.693 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680847 1210778836 /nfs/dbraw/zinc/77/88/36/1210778836.db2.gz COQKBBVXRJPABI-ROUUACIJSA-N 2 1 358.486 0.801 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)c1 ZINC000884679165 1210779402 /nfs/dbraw/zinc/77/94/02/1210779402.db2.gz YECHHLMHBILUFG-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)c1 ZINC000884679165 1210779409 /nfs/dbraw/zinc/77/94/09/1210779409.db2.gz YECHHLMHBILUFG-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884688015 1210781094 /nfs/dbraw/zinc/78/10/94/1210781094.db2.gz QBHHTKQMZZCIRL-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884692378 1210782044 /nfs/dbraw/zinc/78/20/44/1210782044.db2.gz VEAIUTYOFXODOP-RYQLBKOJSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000884708509 1210785353 /nfs/dbraw/zinc/78/53/53/1210785353.db2.gz BXKCVMHPCRZFTH-INIZCTEOSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000884708509 1210785359 /nfs/dbraw/zinc/78/53/59/1210785359.db2.gz BXKCVMHPCRZFTH-INIZCTEOSA-N 2 1 362.474 0.166 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000884716755 1210786764 /nfs/dbraw/zinc/78/67/64/1210786764.db2.gz ICFRUBFVSPXOEW-NBMJBFSESA-N 2 1 372.513 0.985 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716277 1210787134 /nfs/dbraw/zinc/78/71/34/1210787134.db2.gz SYGGWVJHUBFJJS-ZWKOTPCHSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000884718189 1210787469 /nfs/dbraw/zinc/78/74/69/1210787469.db2.gz WVSRWQBOWMWAPY-JQHSSLGASA-N 2 1 358.486 0.942 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884719306 1210787752 /nfs/dbraw/zinc/78/77/52/1210787752.db2.gz HTVXZWJEOXCLET-NBMJBFSESA-N 2 1 372.513 0.985 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000884724428 1210789746 /nfs/dbraw/zinc/78/97/46/1210789746.db2.gz SUSLAITVRWXGCG-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000884774763 1210793137 /nfs/dbraw/zinc/79/31/37/1210793137.db2.gz RNOZNUJTQZCGQG-LESCRADOSA-N 2 1 374.485 0.625 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000884774454 1210793563 /nfs/dbraw/zinc/79/35/63/1210793563.db2.gz LUFAUXRLOQDSGW-LESCRADOSA-N 2 1 374.485 0.625 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)C1 ZINC000884787606 1210795791 /nfs/dbraw/zinc/79/57/91/1210795791.db2.gz WYSYANYWVXALMQ-SJLPKXTDSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)C1 ZINC000884787606 1210795796 /nfs/dbraw/zinc/79/57/96/1210795796.db2.gz WYSYANYWVXALMQ-SJLPKXTDSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832834 1210799771 /nfs/dbraw/zinc/79/97/71/1210799771.db2.gz AWKYQRYPKNKFKL-JZXOWHBKSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832833 1210799897 /nfs/dbraw/zinc/79/98/97/1210799897.db2.gz AWKYQRYPKNKFKL-JFIYKMOQSA-N 2 1 358.486 0.691 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884833428 1210800322 /nfs/dbraw/zinc/80/03/22/1210800322.db2.gz KOHWHCPLQTUAQW-AEFFLSMTSA-N 2 1 360.502 0.939 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835499 1210800357 /nfs/dbraw/zinc/80/03/57/1210800357.db2.gz STOZATQGVJSHLZ-RDJZCZTQSA-N 2 1 358.486 0.820 20 0 FCADMP CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884885648 1210802892 /nfs/dbraw/zinc/80/28/92/1210802892.db2.gz AVXNQNZCLIHYMC-WMZOPIPTSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884891825 1210803177 /nfs/dbraw/zinc/80/31/77/1210803177.db2.gz OISZQCPCURFZIH-BPQIPLTHSA-N 2 1 360.502 0.861 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154184 1225241812 /nfs/dbraw/zinc/24/18/12/1225241812.db2.gz FWVRMJMOVQTOJG-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154184 1225241815 /nfs/dbraw/zinc/24/18/15/1225241815.db2.gz FWVRMJMOVQTOJG-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884968094 1210805855 /nfs/dbraw/zinc/80/58/55/1210805855.db2.gz OPSVUVUXHRALMA-XHSDSOJGSA-N 2 1 368.522 0.496 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000884982708 1210806488 /nfs/dbraw/zinc/80/64/88/1210806488.db2.gz IRRSODWRYLVQTA-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000885018040 1210808751 /nfs/dbraw/zinc/80/87/51/1210808751.db2.gz IDMMAIKADJNXDN-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000885018040 1210808753 /nfs/dbraw/zinc/80/87/53/1210808753.db2.gz IDMMAIKADJNXDN-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)c1 ZINC000885017925 1210808885 /nfs/dbraw/zinc/80/88/85/1210808885.db2.gz GVJGOVHGKOQAQV-SFHVURJKSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)c1 ZINC000885017925 1210808886 /nfs/dbraw/zinc/80/88/86/1210808886.db2.gz GVJGOVHGKOQAQV-SFHVURJKSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)c1 ZINC000885017924 1210809010 /nfs/dbraw/zinc/80/90/10/1210809010.db2.gz GVJGOVHGKOQAQV-GOSISDBHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)c1 ZINC000885017924 1210809011 /nfs/dbraw/zinc/80/90/11/1210809011.db2.gz GVJGOVHGKOQAQV-GOSISDBHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154185 1225242164 /nfs/dbraw/zinc/24/21/64/1225242164.db2.gz FYLXILGZEZEELV-MSOLQXFVSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154185 1225242169 /nfs/dbraw/zinc/24/21/69/1225242169.db2.gz FYLXILGZEZEELV-MSOLQXFVSA-N 2 1 363.506 0.656 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137885 1210811787 /nfs/dbraw/zinc/81/17/87/1210811787.db2.gz KPLQCHNUPMGYMJ-HUUCEWRRSA-N 2 1 366.506 0.250 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000885140939 1210812087 /nfs/dbraw/zinc/81/20/87/1210812087.db2.gz CSVXILUSHAJHMW-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141081 1210812193 /nfs/dbraw/zinc/81/21/93/1210812193.db2.gz HIHPQZJXKDGIPI-INIZCTEOSA-N 2 1 366.506 0.062 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149073 1210812518 /nfs/dbraw/zinc/81/25/18/1210812518.db2.gz WNTAHNSJWRZTID-JKSUJKDBSA-N 2 1 366.506 0.062 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150411 1210812597 /nfs/dbraw/zinc/81/25/97/1210812597.db2.gz VRFFSLNTLLSEJB-HOTGVXAUSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885152755 1210813071 /nfs/dbraw/zinc/81/30/71/1210813071.db2.gz VXVZXUNGSYAGCH-KURKYZTESA-N 2 1 356.470 0.370 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000885156134 1210813668 /nfs/dbraw/zinc/81/36/68/1210813668.db2.gz MPMCMDPOJZDOIQ-ZTFGCOKTSA-N 2 1 358.486 0.758 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885156068 1210813706 /nfs/dbraw/zinc/81/37/06/1210813706.db2.gz KORRKRDZPUHGOT-QRVBRYPASA-N 2 1 370.497 0.902 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000885162287 1210813870 /nfs/dbraw/zinc/81/38/70/1210813870.db2.gz KGPKPMJYEBYFAH-FUHWJXTLSA-N 2 1 356.470 0.512 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000885199002 1210815482 /nfs/dbraw/zinc/81/54/82/1210815482.db2.gz KSSJPPFLWFWCBY-UHFFFAOYSA-N 2 1 367.538 0.247 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885275818 1210817064 /nfs/dbraw/zinc/81/70/64/1210817064.db2.gz JKEILVZCJLVIQS-HNNXBMFYSA-N 2 1 374.476 0.926 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000885869171 1210821223 /nfs/dbraw/zinc/82/12/23/1210821223.db2.gz PRDAWRYODXMRBG-FPOVZHCZSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869171 1210821224 /nfs/dbraw/zinc/82/12/24/1210821224.db2.gz PRDAWRYODXMRBG-FPOVZHCZSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869171 1210821225 /nfs/dbraw/zinc/82/12/25/1210821225.db2.gz PRDAWRYODXMRBG-FPOVZHCZSA-N 2 1 373.497 0.993 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000886415635 1210829278 /nfs/dbraw/zinc/82/92/78/1210829278.db2.gz KEZLZFGOAHZPRE-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872085 1210838248 /nfs/dbraw/zinc/83/82/48/1210838248.db2.gz IVDOXVGKMHISLL-YLJYHZDGSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872085 1210838251 /nfs/dbraw/zinc/83/82/51/1210838251.db2.gz IVDOXVGKMHISLL-YLJYHZDGSA-N 2 1 372.517 0.979 20 0 FCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000886881233 1210839176 /nfs/dbraw/zinc/83/91/76/1210839176.db2.gz VATNACFZATVUCI-HQMXNFIDSA-N 2 1 371.481 0.852 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064842 1210844465 /nfs/dbraw/zinc/84/44/65/1210844465.db2.gz QCQFJMYWDWWVKS-BPQIPLTHSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133301 1210849480 /nfs/dbraw/zinc/84/94/80/1210849480.db2.gz YEJKLHNWKUYVEX-PMPSAXMXSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133301 1210849483 /nfs/dbraw/zinc/84/94/83/1210849483.db2.gz YEJKLHNWKUYVEX-PMPSAXMXSA-N 2 1 359.474 0.705 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163122 1225248105 /nfs/dbraw/zinc/24/81/05/1225248105.db2.gz SWRSOSQAKGQMPK-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163122 1225248110 /nfs/dbraw/zinc/24/81/10/1225248110.db2.gz SWRSOSQAKGQMPK-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163122 1225248117 /nfs/dbraw/zinc/24/81/17/1225248117.db2.gz SWRSOSQAKGQMPK-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163122 1225248122 /nfs/dbraw/zinc/24/81/22/1225248122.db2.gz SWRSOSQAKGQMPK-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001274195159 1210908047 /nfs/dbraw/zinc/90/80/47/1210908047.db2.gz NAGMVYZPYQXZNE-QINHECLXSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000890034157 1210962033 /nfs/dbraw/zinc/96/20/33/1210962033.db2.gz BVERKFMLRAXXGQ-GOSISDBHSA-N 2 1 371.485 0.731 20 0 FCADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890034157 1210962034 /nfs/dbraw/zinc/96/20/34/1210962034.db2.gz BVERKFMLRAXXGQ-GOSISDBHSA-N 2 1 371.485 0.731 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890134742 1210966918 /nfs/dbraw/zinc/96/69/18/1210966918.db2.gz RDCWAFOIOZZPOK-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890138266 1210968151 /nfs/dbraw/zinc/96/81/51/1210968151.db2.gz VNBCKTZXAUYXFV-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138266 1210968153 /nfs/dbraw/zinc/96/81/53/1210968153.db2.gz VNBCKTZXAUYXFV-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138266 1210968155 /nfs/dbraw/zinc/96/81/55/1210968155.db2.gz VNBCKTZXAUYXFV-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397814 1211044410 /nfs/dbraw/zinc/04/44/10/1211044410.db2.gz TVTVZBZYTBBPSM-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397814 1211044414 /nfs/dbraw/zinc/04/44/14/1211044414.db2.gz TVTVZBZYTBBPSM-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397814 1211044416 /nfs/dbraw/zinc/04/44/16/1211044416.db2.gz TVTVZBZYTBBPSM-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001274401230 1211045370 /nfs/dbraw/zinc/04/53/70/1211045370.db2.gz OUQFKWLXHODYJH-IRXDYDNUSA-N 2 1 360.502 0.624 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171066 1211188403 /nfs/dbraw/zinc/18/84/03/1211188403.db2.gz CRXOOPGUDKJSQX-QUCCMNQESA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275171066 1211188405 /nfs/dbraw/zinc/18/84/05/1211188405.db2.gz CRXOOPGUDKJSQX-QUCCMNQESA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275171066 1211188407 /nfs/dbraw/zinc/18/84/07/1211188407.db2.gz CRXOOPGUDKJSQX-QUCCMNQESA-N 2 1 364.534 0.868 20 0 FCADMP COc1nccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275261976 1211204995 /nfs/dbraw/zinc/20/49/95/1211204995.db2.gz USPLLXUJCCXDQW-GOSISDBHSA-N 2 1 363.462 0.098 20 0 FCADMP COc1nccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275261976 1211204998 /nfs/dbraw/zinc/20/49/98/1211204998.db2.gz USPLLXUJCCXDQW-GOSISDBHSA-N 2 1 363.462 0.098 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1N ZINC001275356304 1211220044 /nfs/dbraw/zinc/22/00/44/1211220044.db2.gz CEJGZNXJHRYGQX-LJQANCHMSA-N 2 1 362.474 0.642 20 0 FCADMP COc1cccnc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380626 1211226462 /nfs/dbraw/zinc/22/64/62/1211226462.db2.gz SOUHYYQOCQQQOH-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1cccnc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380626 1211226468 /nfs/dbraw/zinc/22/64/68/1211226468.db2.gz SOUHYYQOCQQQOH-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCN(C[C@H]3CCC(=O)N3)C2=O)CC1 ZINC001275455499 1211241567 /nfs/dbraw/zinc/24/15/67/1211241567.db2.gz LPHSITLWGJMPHJ-OAHLLOKOSA-N 2 1 357.458 0.587 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 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Cc1noc(CN2C[C@]3(CC[NH+](C[C@@H]4CCC[N@H+](C)C4)C3)OCC2=O)n1 ZINC001275877569 1211303852 /nfs/dbraw/zinc/30/38/52/1211303852.db2.gz BYRYLTQFNRKNOV-CRAIPNDOSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[N@@H+](C[C@@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877569 1211303855 /nfs/dbraw/zinc/30/38/55/1211303855.db2.gz BYRYLTQFNRKNOV-CRAIPNDOSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[N@H+](C[C@@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877569 1211303859 /nfs/dbraw/zinc/30/38/59/1211303859.db2.gz BYRYLTQFNRKNOV-CRAIPNDOSA-N 2 1 363.462 0.523 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880311 1211304291 /nfs/dbraw/zinc/30/42/91/1211304291.db2.gz UKLRQAAWJWEMOL-DNVCBOLYSA-N 2 1 364.490 0.305 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880311 1211304293 /nfs/dbraw/zinc/30/42/93/1211304293.db2.gz UKLRQAAWJWEMOL-DNVCBOLYSA-N 2 1 364.490 0.305 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880311 1211304296 /nfs/dbraw/zinc/30/42/96/1211304296.db2.gz UKLRQAAWJWEMOL-DNVCBOLYSA-N 2 1 364.490 0.305 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880311 1211304299 /nfs/dbraw/zinc/30/42/99/1211304299.db2.gz UKLRQAAWJWEMOL-DNVCBOLYSA-N 2 1 364.490 0.305 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275879411 1211304404 /nfs/dbraw/zinc/30/44/04/1211304404.db2.gz PCVUUWWNGAZKSX-MDZRGWNJSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275879411 1211304406 /nfs/dbraw/zinc/30/44/06/1211304406.db2.gz PCVUUWWNGAZKSX-MDZRGWNJSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275879411 1211304410 /nfs/dbraw/zinc/30/44/10/1211304410.db2.gz PCVUUWWNGAZKSX-MDZRGWNJSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275879411 1211304411 /nfs/dbraw/zinc/30/44/11/1211304411.db2.gz PCVUUWWNGAZKSX-MDZRGWNJSA-N 2 1 366.506 0.143 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3C(C)(C)C(=O)NC)CC1 ZINC001275881382 1211305021 /nfs/dbraw/zinc/30/50/21/1211305021.db2.gz ZMLZIFLXYGDQPC-UHFFFAOYSA-N 2 1 366.506 0.156 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880729 1211305552 /nfs/dbraw/zinc/30/55/52/1211305552.db2.gz VUBHFFAQUQTVAX-MDZRGWNJSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880729 1211305554 /nfs/dbraw/zinc/30/55/54/1211305554.db2.gz VUBHFFAQUQTVAX-MDZRGWNJSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001275880729 1211305556 /nfs/dbraw/zinc/30/55/56/1211305556.db2.gz VUBHFFAQUQTVAX-MDZRGWNJSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880729 1211305557 /nfs/dbraw/zinc/30/55/57/1211305557.db2.gz VUBHFFAQUQTVAX-MDZRGWNJSA-N 2 1 367.490 0.583 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)N1CCCC1 ZINC001095424115 1211333842 /nfs/dbraw/zinc/33/38/42/1211333842.db2.gz FXYMKHBCXBONEJ-OWSLCNJRSA-N 2 1 360.502 0.672 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)N1CCCC1 ZINC001095424115 1211333845 /nfs/dbraw/zinc/33/38/45/1211333845.db2.gz FXYMKHBCXBONEJ-OWSLCNJRSA-N 2 1 360.502 0.672 20 0 FCADMP C[N@@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545883234 1211425516 /nfs/dbraw/zinc/42/55/16/1211425516.db2.gz DDSVKYJEBKRWND-IBGZPJMESA-N 2 1 361.490 0.174 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545883234 1211425519 /nfs/dbraw/zinc/42/55/19/1211425519.db2.gz DDSVKYJEBKRWND-IBGZPJMESA-N 2 1 361.490 0.174 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC000545882335 1211425876 /nfs/dbraw/zinc/42/58/76/1211425876.db2.gz NLUAWNDRRRUWNZ-FQEVSTJZSA-N 2 1 360.502 0.690 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1cc2c[nH]ccc-2n1 ZINC001095619763 1211428479 /nfs/dbraw/zinc/42/84/79/1211428479.db2.gz UHOOGYMIGFZLTJ-SHPPOPEUSA-N 2 1 367.409 0.703 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[NH+](C)C3)c2C1 ZINC000546589144 1211438618 /nfs/dbraw/zinc/43/86/18/1211438618.db2.gz NJCBVPLYZHJXND-IBGZPJMESA-N 2 1 360.458 0.534 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[NH+](C)C3)c2C1 ZINC000546589144 1211438619 /nfs/dbraw/zinc/43/86/19/1211438619.db2.gz NJCBVPLYZHJXND-IBGZPJMESA-N 2 1 360.458 0.534 20 0 FCADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2C1 ZINC000546589144 1211438622 /nfs/dbraw/zinc/43/86/22/1211438622.db2.gz NJCBVPLYZHJXND-IBGZPJMESA-N 2 1 360.458 0.534 20 0 FCADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2C1 ZINC000546589144 1211438625 /nfs/dbraw/zinc/43/86/25/1211438625.db2.gz NJCBVPLYZHJXND-IBGZPJMESA-N 2 1 360.458 0.534 20 0 FCADMP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000926127123 1211516818 /nfs/dbraw/zinc/51/68/18/1211516818.db2.gz TUNTXPDJVKUFMF-MSOLQXFVSA-N 2 1 359.470 0.638 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638499 1211577651 /nfs/dbraw/zinc/57/76/51/1211577651.db2.gz UQGHPVLKAMRPQZ-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638499 1211577655 /nfs/dbraw/zinc/57/76/55/1211577655.db2.gz UQGHPVLKAMRPQZ-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638499 1211577659 /nfs/dbraw/zinc/57/76/59/1211577659.db2.gz UQGHPVLKAMRPQZ-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638499 1211577662 /nfs/dbraw/zinc/57/76/62/1211577662.db2.gz UQGHPVLKAMRPQZ-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000927648397 1211578131 /nfs/dbraw/zinc/57/81/31/1211578131.db2.gz KCFZSQRKENTOCL-BZSNNMDCSA-N 2 1 366.506 0.480 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)CN(CC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928556294 1211604664 /nfs/dbraw/zinc/60/46/64/1211604664.db2.gz PCDWBFUXQBTQNB-ROUUACIJSA-N 2 1 373.501 0.134 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000929351549 1211632105 /nfs/dbraw/zinc/63/21/05/1211632105.db2.gz FZKKQROYMAEWDM-SFHVURJKSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000929351549 1211632107 /nfs/dbraw/zinc/63/21/07/1211632107.db2.gz FZKKQROYMAEWDM-SFHVURJKSA-N 2 1 358.486 0.896 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882694 1211669150 /nfs/dbraw/zinc/66/91/50/1211669150.db2.gz WCBDQTJAFROOHQ-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882694 1211669151 /nfs/dbraw/zinc/66/91/51/1211669151.db2.gz WCBDQTJAFROOHQ-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000929882694 1211669153 /nfs/dbraw/zinc/66/91/53/1211669153.db2.gz WCBDQTJAFROOHQ-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000929882694 1211669154 /nfs/dbraw/zinc/66/91/54/1211669154.db2.gz WCBDQTJAFROOHQ-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000929974562 1211677207 /nfs/dbraw/zinc/67/72/07/1211677207.db2.gz FYMPBSDGOXDMAF-MRXNPFEDSA-N 2 1 362.474 0.106 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000929974562 1211677213 /nfs/dbraw/zinc/67/72/13/1211677213.db2.gz FYMPBSDGOXDMAF-MRXNPFEDSA-N 2 1 362.474 0.106 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC1CCOCC1 ZINC001110979761 1211683805 /nfs/dbraw/zinc/68/38/05/1211683805.db2.gz BZRUKBMZNCSAJF-ATLSCFEFSA-N 2 1 369.506 0.216 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000930145619 1211690869 /nfs/dbraw/zinc/69/08/69/1211690869.db2.gz ZMXUJQYRWYBMFZ-QGZVFWFLSA-N 2 1 374.485 0.598 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000930145619 1211690871 /nfs/dbraw/zinc/69/08/71/1211690871.db2.gz ZMXUJQYRWYBMFZ-QGZVFWFLSA-N 2 1 374.485 0.598 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000930145615 1211691169 /nfs/dbraw/zinc/69/11/69/1211691169.db2.gz ZMXUJQYRWYBMFZ-KRWDZBQOSA-N 2 1 374.485 0.598 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000930145615 1211691172 /nfs/dbraw/zinc/69/11/72/1211691172.db2.gz ZMXUJQYRWYBMFZ-KRWDZBQOSA-N 2 1 374.485 0.598 20 0 FCADMP C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931657355 1211769485 /nfs/dbraw/zinc/76/94/85/1211769485.db2.gz FMZUCLNCTTYRND-XIRDDKMYSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931657355 1211769489 /nfs/dbraw/zinc/76/94/89/1211769489.db2.gz FMZUCLNCTTYRND-XIRDDKMYSA-N 2 1 358.486 0.880 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000931880498 1211778411 /nfs/dbraw/zinc/77/84/11/1211778411.db2.gz FDOPIYAGRWZAJA-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000931880498 1211778412 /nfs/dbraw/zinc/77/84/12/1211778412.db2.gz FDOPIYAGRWZAJA-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883195 1211779705 /nfs/dbraw/zinc/77/97/05/1211779705.db2.gz FAFBCZFOYMIYEQ-FGTMMUONSA-N 2 1 356.470 0.397 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883195 1211779708 /nfs/dbraw/zinc/77/97/08/1211779708.db2.gz FAFBCZFOYMIYEQ-FGTMMUONSA-N 2 1 356.470 0.397 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883195 1211779710 /nfs/dbraw/zinc/77/97/10/1211779710.db2.gz FAFBCZFOYMIYEQ-FGTMMUONSA-N 2 1 356.470 0.397 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883195 1211779715 /nfs/dbraw/zinc/77/97/15/1211779715.db2.gz FAFBCZFOYMIYEQ-FGTMMUONSA-N 2 1 356.470 0.397 20 0 FCADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931887404 1211780796 /nfs/dbraw/zinc/78/07/96/1211780796.db2.gz SBIGFVBKGNBNLI-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931887404 1211780797 /nfs/dbraw/zinc/78/07/97/1211780797.db2.gz SBIGFVBKGNBNLI-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931887404 1211780800 /nfs/dbraw/zinc/78/08/00/1211780800.db2.gz SBIGFVBKGNBNLI-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931887404 1211780802 /nfs/dbraw/zinc/78/08/02/1211780802.db2.gz SBIGFVBKGNBNLI-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111020434 1211784648 /nfs/dbraw/zinc/78/46/48/1211784648.db2.gz BFUFMCZAZAJMKE-DDBAPUKQSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020434 1211784657 /nfs/dbraw/zinc/78/46/57/1211784657.db2.gz BFUFMCZAZAJMKE-DDBAPUKQSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020434 1211784664 /nfs/dbraw/zinc/78/46/64/1211784664.db2.gz BFUFMCZAZAJMKE-DDBAPUKQSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]c1 ZINC000932800022 1211822698 /nfs/dbraw/zinc/82/26/98/1211822698.db2.gz FYPBKVWJLSNECA-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]c1 ZINC000932800022 1211822701 /nfs/dbraw/zinc/82/27/01/1211822701.db2.gz FYPBKVWJLSNECA-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099989 1211880388 /nfs/dbraw/zinc/88/03/88/1211880388.db2.gz ZCUIGWMFVZKUIB-NGFQHRJXSA-N 2 1 365.478 0.023 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099989 1211880390 /nfs/dbraw/zinc/88/03/90/1211880390.db2.gz ZCUIGWMFVZKUIB-NGFQHRJXSA-N 2 1 365.478 0.023 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)cc2)n[nH]1 ZINC000566067718 1211895374 /nfs/dbraw/zinc/89/53/74/1211895374.db2.gz YCDINRUUXPKAMF-LLVKDONJSA-N 2 1 352.402 0.983 20 0 FCADMP Cn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)cn1 ZINC001111151593 1211901535 /nfs/dbraw/zinc/90/15/35/1211901535.db2.gz FFCNJGIXVJHAQP-KURKYZTESA-N 2 1 361.490 0.406 20 0 FCADMP Cn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)cn1 ZINC001111151593 1211901537 /nfs/dbraw/zinc/90/15/37/1211901537.db2.gz FFCNJGIXVJHAQP-KURKYZTESA-N 2 1 361.490 0.406 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282110 1212234644 /nfs/dbraw/zinc/23/46/44/1212234644.db2.gz BGXWVWGDQFCTLB-HZMVEIRTSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282110 1212234648 /nfs/dbraw/zinc/23/46/48/1212234648.db2.gz BGXWVWGDQFCTLB-HZMVEIRTSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC000969071745 1212255818 /nfs/dbraw/zinc/25/58/18/1212255818.db2.gz DBAUFBZDEFYAEA-SUYBPPKGSA-N 2 1 359.430 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC000969071745 1212255820 /nfs/dbraw/zinc/25/58/20/1212255820.db2.gz DBAUFBZDEFYAEA-SUYBPPKGSA-N 2 1 359.430 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(CC[NH+](CC(=O)N(C)C)CC3)C2)CC[N@H+]1C ZINC000949098974 1212290795 /nfs/dbraw/zinc/29/07/95/1212290795.db2.gz OSCSZWXJVGVEFN-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1cncn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000949165956 1212311342 /nfs/dbraw/zinc/31/13/42/1212311342.db2.gz YHFWUPHYIFOQDN-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000949165956 1212311348 /nfs/dbraw/zinc/31/13/48/1212311348.db2.gz YHFWUPHYIFOQDN-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000949165956 1212311356 /nfs/dbraw/zinc/31/13/56/1212311356.db2.gz YHFWUPHYIFOQDN-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001007187809 1212420436 /nfs/dbraw/zinc/42/04/36/1212420436.db2.gz YROJRDLUFVYDJK-QOKNQOGYSA-N 2 1 359.474 0.852 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001007187809 1212420444 /nfs/dbraw/zinc/42/04/44/1212420444.db2.gz YROJRDLUFVYDJK-QOKNQOGYSA-N 2 1 359.474 0.852 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561069 1225368353 /nfs/dbraw/zinc/36/83/53/1225368353.db2.gz WHTJDCIXBHQEIY-QBPKDAKJSA-N 2 1 365.522 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561069 1225368358 /nfs/dbraw/zinc/36/83/58/1225368358.db2.gz WHTJDCIXBHQEIY-QBPKDAKJSA-N 2 1 365.522 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561069 1225368367 /nfs/dbraw/zinc/36/83/67/1225368367.db2.gz WHTJDCIXBHQEIY-QBPKDAKJSA-N 2 1 365.522 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561069 1225368374 /nfs/dbraw/zinc/36/83/74/1225368374.db2.gz WHTJDCIXBHQEIY-QBPKDAKJSA-N 2 1 365.522 0.567 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221561027 1225368796 /nfs/dbraw/zinc/36/87/96/1225368796.db2.gz UJIBOMJQVQZESY-BRWVUGGUSA-N 2 1 364.490 0.938 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221561027 1225368803 /nfs/dbraw/zinc/36/88/03/1225368803.db2.gz UJIBOMJQVQZESY-BRWVUGGUSA-N 2 1 364.490 0.938 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001007479121 1212501716 /nfs/dbraw/zinc/50/17/16/1212501716.db2.gz GDMIUYOTRNNASP-BXWFABGCSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001007481535 1212503106 /nfs/dbraw/zinc/50/31/06/1212503106.db2.gz NGKADSHUHXYVIQ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001007481535 1212503110 /nfs/dbraw/zinc/50/31/10/1212503110.db2.gz NGKADSHUHXYVIQ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595094 1225387026 /nfs/dbraw/zinc/38/70/26/1225387026.db2.gz SAOVPSGYJUFHEW-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595094 1225387032 /nfs/dbraw/zinc/38/70/32/1225387032.db2.gz SAOVPSGYJUFHEW-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595094 1225387040 /nfs/dbraw/zinc/38/70/40/1225387040.db2.gz SAOVPSGYJUFHEW-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595094 1225387043 /nfs/dbraw/zinc/38/70/43/1225387043.db2.gz SAOVPSGYJUFHEW-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000951153556 1212775530 /nfs/dbraw/zinc/77/55/30/1212775530.db2.gz LODCTKLMHCGVCL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000951153556 1212775535 /nfs/dbraw/zinc/77/55/35/1212775535.db2.gz LODCTKLMHCGVCL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000951153556 1212775539 /nfs/dbraw/zinc/77/55/39/1212775539.db2.gz LODCTKLMHCGVCL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000951153556 1212775543 /nfs/dbraw/zinc/77/55/43/1212775543.db2.gz LODCTKLMHCGVCL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616977 1225400780 /nfs/dbraw/zinc/40/07/80/1225400780.db2.gz YKCCDZCWUZXHID-IXDOHACOSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620375 1225400982 /nfs/dbraw/zinc/40/09/82/1225400982.db2.gz BOAVQRGDRDDYCI-NVXWUHKLSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620375 1225400987 /nfs/dbraw/zinc/40/09/87/1225400987.db2.gz BOAVQRGDRDDYCI-NVXWUHKLSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620375 1225400992 /nfs/dbraw/zinc/40/09/92/1225400992.db2.gz BOAVQRGDRDDYCI-NVXWUHKLSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620375 1225400996 /nfs/dbraw/zinc/40/09/96/1225400996.db2.gz BOAVQRGDRDDYCI-NVXWUHKLSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000951735011 1212867783 /nfs/dbraw/zinc/86/77/83/1212867783.db2.gz CURUVKAZAZPZRX-RBSFLKMASA-N 2 1 355.442 0.863 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2cccnc2)C1 ZINC001111405812 1212992215 /nfs/dbraw/zinc/99/22/15/1212992215.db2.gz FOXGVTVXAIKOOO-TVFCKZIOSA-N 2 1 371.485 0.371 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411457 1212995600 /nfs/dbraw/zinc/99/56/00/1212995600.db2.gz PHYZXMDHMOINED-TVFCKZIOSA-N 2 1 369.506 0.339 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411453 1212995897 /nfs/dbraw/zinc/99/58/97/1212995897.db2.gz PHYZXMDHMOINED-MLHJIOFPSA-N 2 1 369.506 0.339 20 0 FCADMP CC[C@@H](C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000954049248 1213036762 /nfs/dbraw/zinc/03/67/62/1213036762.db2.gz VQWQNPNSHLKGBV-HYVNUMGLSA-N 2 1 368.522 0.495 20 0 FCADMP CC[C@@H](C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000954049248 1213036766 /nfs/dbraw/zinc/03/67/66/1213036766.db2.gz VQWQNPNSHLKGBV-HYVNUMGLSA-N 2 1 368.522 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@H+]1C ZINC000954412400 1213071602 /nfs/dbraw/zinc/07/16/02/1213071602.db2.gz HJOFADCIXGVWJK-QKLQHJQFSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC[NH+]1C ZINC000954412400 1213071607 /nfs/dbraw/zinc/07/16/07/1213071607.db2.gz HJOFADCIXGVWJK-QKLQHJQFSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC[NH+]1C ZINC000954412400 1213071613 /nfs/dbraw/zinc/07/16/13/1213071613.db2.gz HJOFADCIXGVWJK-QKLQHJQFSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000956112145 1213173195 /nfs/dbraw/zinc/17/31/95/1213173195.db2.gz OULGUUODYSTPMQ-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799307 1213215786 /nfs/dbraw/zinc/21/57/86/1213215786.db2.gz TXPARWNYYWLVDR-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641799307 1213215787 /nfs/dbraw/zinc/21/57/87/1213215787.db2.gz TXPARWNYYWLVDR-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641799307 1213215797 /nfs/dbraw/zinc/21/57/97/1213215797.db2.gz TXPARWNYYWLVDR-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000957013996 1213231965 /nfs/dbraw/zinc/23/19/65/1213231965.db2.gz OOVRPRVWVLDQFC-FCEWJHQRSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000958008300 1213374844 /nfs/dbraw/zinc/37/48/44/1213374844.db2.gz YSXLRQLXOITFFC-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000958008300 1213374847 /nfs/dbraw/zinc/37/48/47/1213374847.db2.gz YSXLRQLXOITFFC-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@H+]1C ZINC000959968535 1213565743 /nfs/dbraw/zinc/56/57/43/1213565743.db2.gz SFHRLZHLOULFTP-DOEOUOAPSA-N 2 1 358.486 0.662 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC000959968535 1213565748 /nfs/dbraw/zinc/56/57/48/1213565748.db2.gz SFHRLZHLOULFTP-DOEOUOAPSA-N 2 1 358.486 0.662 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC000959968535 1213565752 /nfs/dbraw/zinc/56/57/52/1213565752.db2.gz SFHRLZHLOULFTP-DOEOUOAPSA-N 2 1 358.486 0.662 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)CCC1 ZINC000960140010 1213634150 /nfs/dbraw/zinc/63/41/50/1213634150.db2.gz VZOLBEHIGBUWHK-HRCADAONSA-N 2 1 364.490 0.003 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001221771859 1225476607 /nfs/dbraw/zinc/47/66/07/1225476607.db2.gz IJTQQNTXVZSYCE-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001221771859 1225476610 /nfs/dbraw/zinc/47/66/10/1225476610.db2.gz IJTQQNTXVZSYCE-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221776815 1225477346 /nfs/dbraw/zinc/47/73/46/1225477346.db2.gz FDACCFAVCNBCQQ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001221776815 1225477352 /nfs/dbraw/zinc/47/73/52/1225477352.db2.gz FDACCFAVCNBCQQ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001221772675 1225477621 /nfs/dbraw/zinc/47/76/21/1225477621.db2.gz JIGQLKVVNSZABC-IAGOWNOFSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000960528856 1213805039 /nfs/dbraw/zinc/80/50/39/1213805039.db2.gz RSLPAFBABOOAEH-SFFUCWETSA-N 2 1 361.490 0.265 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000960528856 1213805041 /nfs/dbraw/zinc/80/50/41/1213805041.db2.gz RSLPAFBABOOAEH-SFFUCWETSA-N 2 1 361.490 0.265 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC000960528856 1213805045 /nfs/dbraw/zinc/80/50/45/1213805045.db2.gz RSLPAFBABOOAEH-SFFUCWETSA-N 2 1 361.490 0.265 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC000960528856 1213805047 /nfs/dbraw/zinc/80/50/47/1213805047.db2.gz RSLPAFBABOOAEH-SFFUCWETSA-N 2 1 361.490 0.265 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CC[N@H+]1C ZINC001011208093 1213847812 /nfs/dbraw/zinc/84/78/12/1213847812.db2.gz GSSDCJIDQXXAGB-HUUCEWRRSA-N 2 1 359.474 0.772 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209279 1213850234 /nfs/dbraw/zinc/85/02/34/1213850234.db2.gz SJRBGQBCDZNTSU-BRWVUGGUSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209279 1213850238 /nfs/dbraw/zinc/85/02/38/1213850238.db2.gz SJRBGQBCDZNTSU-BRWVUGGUSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011209279 1213850243 /nfs/dbraw/zinc/85/02/43/1213850243.db2.gz SJRBGQBCDZNTSU-BRWVUGGUSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011209279 1213850244 /nfs/dbraw/zinc/85/02/44/1213850244.db2.gz SJRBGQBCDZNTSU-BRWVUGGUSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960731341 1213915615 /nfs/dbraw/zinc/91/56/15/1213915615.db2.gz NWHONZKGZXIDGF-YYIAUSFCSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc4c(c3)nnn4C)C2)CC[N@H+]1C ZINC001018865147 1214166478 /nfs/dbraw/zinc/16/64/78/1214166478.db2.gz DQMIODRSLALZIM-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1)[NH+](C)C ZINC001019149065 1214208967 /nfs/dbraw/zinc/20/89/67/1214208967.db2.gz KZWNZWMDMDDRHW-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1)[NH+](C)C ZINC001019149065 1214208975 /nfs/dbraw/zinc/20/89/75/1214208975.db2.gz KZWNZWMDMDDRHW-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)CC[N@H+]1C ZINC001019209912 1214218156 /nfs/dbraw/zinc/21/81/56/1214218156.db2.gz KDRVPWMWCCHLKD-HZPDHXFCSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001019441258 1214243348 /nfs/dbraw/zinc/24/33/48/1214243348.db2.gz HOZWRWUTHFCLRY-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001019441258 1214243357 /nfs/dbraw/zinc/24/33/57/1214243357.db2.gz HOZWRWUTHFCLRY-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001019441258 1214243367 /nfs/dbraw/zinc/24/33/67/1214243367.db2.gz HOZWRWUTHFCLRY-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@@H]3C2)CC[N@H+]1C ZINC000961664672 1214260789 /nfs/dbraw/zinc/26/07/89/1214260789.db2.gz FNUJIHSMJMOPQQ-LHKMKVQPSA-N 2 1 362.518 0.584 20 0 FCADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001020286495 1214328470 /nfs/dbraw/zinc/32/84/70/1214328470.db2.gz AFUOUFSNPPHNOB-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001020286495 1214328478 /nfs/dbraw/zinc/32/84/78/1214328478.db2.gz AFUOUFSNPPHNOB-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC000961849544 1214333981 /nfs/dbraw/zinc/33/39/81/1214333981.db2.gz PCPJTHFRRTZWSY-XSCHDIRWSA-N 2 1 363.510 0.753 20 0 FCADMP COc1ccnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000961991078 1214395246 /nfs/dbraw/zinc/39/52/46/1214395246.db2.gz OJGDUIXKQZEZGF-SEVFCGSRSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000961991078 1214395252 /nfs/dbraw/zinc/39/52/52/1214395252.db2.gz OJGDUIXKQZEZGF-SEVFCGSRSA-N 2 1 362.474 0.794 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221895067 1225525972 /nfs/dbraw/zinc/52/59/72/1225525972.db2.gz UMLJXVZBZYVYJY-CRAIPNDOSA-N 2 1 371.441 0.423 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221895067 1225525977 /nfs/dbraw/zinc/52/59/77/1225525977.db2.gz UMLJXVZBZYVYJY-CRAIPNDOSA-N 2 1 371.441 0.423 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040446574 1214509553 /nfs/dbraw/zinc/50/95/53/1214509553.db2.gz KXRUJBAUTVOKHZ-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040446574 1214509559 /nfs/dbraw/zinc/50/95/59/1214509559.db2.gz KXRUJBAUTVOKHZ-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040446574 1214509566 /nfs/dbraw/zinc/50/95/66/1214509566.db2.gz KXRUJBAUTVOKHZ-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950637 1225549007 /nfs/dbraw/zinc/54/90/07/1225549007.db2.gz QOOYNRQDCCVNJI-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950637 1225549009 /nfs/dbraw/zinc/54/90/09/1225549009.db2.gz QOOYNRQDCCVNJI-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnnn3C)CC2)O1 ZINC000963551804 1214820690 /nfs/dbraw/zinc/82/06/90/1214820690.db2.gz RLZJEKQPQFMBLE-ARAOSMHQSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnnn3C)CC2)O1 ZINC000963551804 1214820692 /nfs/dbraw/zinc/82/06/92/1214820692.db2.gz RLZJEKQPQFMBLE-ARAOSMHQSA-N 2 1 364.494 0.393 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221968523 1225557292 /nfs/dbraw/zinc/55/72/92/1225557292.db2.gz RAMQADYHRQTHCQ-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221968523 1225557296 /nfs/dbraw/zinc/55/72/96/1225557296.db2.gz RAMQADYHRQTHCQ-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221968523 1225557298 /nfs/dbraw/zinc/55/72/98/1225557298.db2.gz RAMQADYHRQTHCQ-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2ncnn2C)C3)O1 ZINC000964030532 1214891064 /nfs/dbraw/zinc/89/10/64/1214891064.db2.gz PVPACNBHGFCFNH-LLHKYXTOSA-N 2 1 362.478 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2ncnn2C)C3)O1 ZINC000964030532 1214891068 /nfs/dbraw/zinc/89/10/68/1214891068.db2.gz PVPACNBHGFCFNH-LLHKYXTOSA-N 2 1 362.478 0.051 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013762 1225575653 /nfs/dbraw/zinc/57/56/53/1225575653.db2.gz KVVSQLFOJAAJPA-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013762 1225575656 /nfs/dbraw/zinc/57/56/56/1225575656.db2.gz KVVSQLFOJAAJPA-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013762 1225575661 /nfs/dbraw/zinc/57/56/61/1225575661.db2.gz KVVSQLFOJAAJPA-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000968098399 1215286253 /nfs/dbraw/zinc/28/62/53/1215286253.db2.gz VHKMFYYXOGDKBC-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000968098399 1215286255 /nfs/dbraw/zinc/28/62/55/1215286255.db2.gz VHKMFYYXOGDKBC-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000968098399 1215286257 /nfs/dbraw/zinc/28/62/57/1215286257.db2.gz VHKMFYYXOGDKBC-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000968098399 1215286259 /nfs/dbraw/zinc/28/62/59/1215286259.db2.gz VHKMFYYXOGDKBC-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001000468578 1216065365 /nfs/dbraw/zinc/06/53/65/1216065365.db2.gz MMPKKHMIQRHICT-YVSFHVDLSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001001420526 1216194125 /nfs/dbraw/zinc/19/41/25/1216194125.db2.gz JYHVPMUMOYJSLB-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001050049040 1216273905 /nfs/dbraw/zinc/27/39/05/1216273905.db2.gz FBFQHWDHBMPGNB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001050049040 1216273914 /nfs/dbraw/zinc/27/39/14/1216273914.db2.gz FBFQHWDHBMPGNB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001050049040 1216273926 /nfs/dbraw/zinc/27/39/26/1216273926.db2.gz FBFQHWDHBMPGNB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222893368 1225663509 /nfs/dbraw/zinc/66/35/09/1225663509.db2.gz YFVGTVAFTDZHDG-FGTMMUONSA-N 2 1 363.506 0.773 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222893368 1225663512 /nfs/dbraw/zinc/66/35/12/1225663512.db2.gz YFVGTVAFTDZHDG-FGTMMUONSA-N 2 1 363.506 0.773 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(CC)n3)C2)CC[N@@H+]1C ZINC001051624236 1216468201 /nfs/dbraw/zinc/46/82/01/1216468201.db2.gz NXFAARUTSTVYLQ-YESZJQIVSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(CC)n3)C2)CC[N@H+]1C ZINC001051624236 1216468208 /nfs/dbraw/zinc/46/82/08/1216468208.db2.gz NXFAARUTSTVYLQ-YESZJQIVSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)n(C)n3)C2)CC[N@H+]1C ZINC001051624745 1216470492 /nfs/dbraw/zinc/47/04/92/1216470492.db2.gz UFOMGOPYZFRWPE-FGTMMUONSA-N 2 1 363.506 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[NH+](C)CC)CC[N@H+]1C ZINC001057746342 1216537389 /nfs/dbraw/zinc/53/73/89/1216537389.db2.gz SWBNPRKJKFKIDJ-JKSUJKDBSA-N 2 1 370.538 0.384 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC)CC[NH+]1C ZINC001057746342 1216537397 /nfs/dbraw/zinc/53/73/97/1216537397.db2.gz SWBNPRKJKFKIDJ-JKSUJKDBSA-N 2 1 370.538 0.384 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@@H+](C)CC)CC[NH+]1C ZINC001057746342 1216537404 /nfs/dbraw/zinc/53/74/04/1216537404.db2.gz SWBNPRKJKFKIDJ-JKSUJKDBSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001067712797 1216695422 /nfs/dbraw/zinc/69/54/22/1216695422.db2.gz NGMRIMNMTSPVET-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001067712797 1216695428 /nfs/dbraw/zinc/69/54/28/1216695428.db2.gz NGMRIMNMTSPVET-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001067712797 1216695437 /nfs/dbraw/zinc/69/54/37/1216695437.db2.gz NGMRIMNMTSPVET-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001067712797 1216695445 /nfs/dbraw/zinc/69/54/45/1216695445.db2.gz NGMRIMNMTSPVET-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068401947 1216731710 /nfs/dbraw/zinc/73/17/10/1216731710.db2.gz VHSMEDJFERYRPX-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP COCCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248367 1225693944 /nfs/dbraw/zinc/69/39/44/1225693944.db2.gz JFRULODJAYWPKU-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[NH+](C[C@@H]2CCOC2)CC3)CC[N@@H+]1C ZINC001069861684 1216806433 /nfs/dbraw/zinc/80/64/33/1216806433.db2.gz CSCQQGVSIQSWMO-HLLBOEOZSA-N 2 1 361.490 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[NH+](C[C@@H]2CCOC2)CC3)CC[N@H+]1C ZINC001069861684 1216806436 /nfs/dbraw/zinc/80/64/36/1216806436.db2.gz CSCQQGVSIQSWMO-HLLBOEOZSA-N 2 1 361.490 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[N@H+](C[C@@H]2CCOC2)CC3)CC[NH+]1C ZINC001069861684 1216806437 /nfs/dbraw/zinc/80/64/37/1216806437.db2.gz CSCQQGVSIQSWMO-HLLBOEOZSA-N 2 1 361.490 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[N@@H+](C[C@@H]2CCOC2)CC3)CC[NH+]1C ZINC001069861684 1216806442 /nfs/dbraw/zinc/80/64/42/1216806442.db2.gz CSCQQGVSIQSWMO-HLLBOEOZSA-N 2 1 361.490 0.692 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903001 1216828890 /nfs/dbraw/zinc/82/88/90/1216828890.db2.gz ZHUXSEUMVYKXRL-QRVBRYPASA-N 2 1 368.485 0.957 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903001 1216828893 /nfs/dbraw/zinc/82/88/93/1216828893.db2.gz ZHUXSEUMVYKXRL-QRVBRYPASA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903001 1216828896 /nfs/dbraw/zinc/82/88/96/1216828896.db2.gz ZHUXSEUMVYKXRL-QRVBRYPASA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903001 1216828898 /nfs/dbraw/zinc/82/88/98/1216828898.db2.gz ZHUXSEUMVYKXRL-QRVBRYPASA-N 2 1 368.485 0.957 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069929039 1216849276 /nfs/dbraw/zinc/84/92/76/1216849276.db2.gz QXLOQTPAEPYXIB-KURKYZTESA-N 2 1 358.490 0.762 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069929038 1216849484 /nfs/dbraw/zinc/84/94/84/1216849484.db2.gz QXLOQTPAEPYXIB-KSZLIROESA-N 2 1 358.490 0.762 20 0 FCADMP COC(=O)CC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276881832 1225698456 /nfs/dbraw/zinc/69/84/56/1225698456.db2.gz CWPXSCDPRJYLGB-IBGZPJMESA-N 2 1 366.506 0.111 20 0 FCADMP COC(=O)CC[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276881832 1225698458 /nfs/dbraw/zinc/69/84/58/1225698458.db2.gz CWPXSCDPRJYLGB-IBGZPJMESA-N 2 1 366.506 0.111 20 0 FCADMP COC(=O)CC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276881833 1225698718 /nfs/dbraw/zinc/69/87/18/1225698718.db2.gz CWPXSCDPRJYLGB-LJQANCHMSA-N 2 1 366.506 0.111 20 0 FCADMP COC(=O)CC[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276881833 1225698724 /nfs/dbraw/zinc/69/87/24/1225698724.db2.gz CWPXSCDPRJYLGB-LJQANCHMSA-N 2 1 366.506 0.111 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966024 1216873225 /nfs/dbraw/zinc/87/32/25/1216873225.db2.gz SAFUCJKICDJXLO-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966024 1216873226 /nfs/dbraw/zinc/87/32/26/1216873226.db2.gz SAFUCJKICDJXLO-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966024 1216873229 /nfs/dbraw/zinc/87/32/29/1216873229.db2.gz SAFUCJKICDJXLO-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069966024 1216873232 /nfs/dbraw/zinc/87/32/32/1216873232.db2.gz SAFUCJKICDJXLO-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069995972 1216889472 /nfs/dbraw/zinc/88/94/72/1216889472.db2.gz IYOFSVLJACJTIH-XHSDSOJGSA-N 2 1 364.494 0.529 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069995972 1216889475 /nfs/dbraw/zinc/88/94/75/1216889475.db2.gz IYOFSVLJACJTIH-XHSDSOJGSA-N 2 1 364.494 0.529 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069995971 1216889661 /nfs/dbraw/zinc/88/96/61/1216889661.db2.gz IYOFSVLJACJTIH-OAGGEKHMSA-N 2 1 364.494 0.529 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069995971 1216889663 /nfs/dbraw/zinc/88/96/63/1216889663.db2.gz IYOFSVLJACJTIH-OAGGEKHMSA-N 2 1 364.494 0.529 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046574 1216921409 /nfs/dbraw/zinc/92/14/09/1216921409.db2.gz FCXZVUHHYZPQSM-OIISXLGYSA-N 2 1 364.494 0.386 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505484 1225711525 /nfs/dbraw/zinc/71/15/25/1225711525.db2.gz DTAWZRFVWGKIIN-NXHRZFHOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505484 1225711534 /nfs/dbraw/zinc/71/15/34/1225711534.db2.gz DTAWZRFVWGKIIN-NXHRZFHOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505484 1225711536 /nfs/dbraw/zinc/71/15/36/1225711536.db2.gz DTAWZRFVWGKIIN-NXHRZFHOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505484 1225711540 /nfs/dbraw/zinc/71/15/40/1225711540.db2.gz DTAWZRFVWGKIIN-NXHRZFHOSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCOCCNC(C)=O)[C@H]2C1)[NH+](C)C ZINC001223512771 1225711945 /nfs/dbraw/zinc/71/19/45/1225711945.db2.gz OKDLIQSPWLLIDL-SQNIBIBYSA-N 2 1 368.522 0.402 20 0 FCADMP CCCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223571001 1225717219 /nfs/dbraw/zinc/71/72/19/1225717219.db2.gz WFXNTJOWLOKFSL-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223571001 1225717221 /nfs/dbraw/zinc/71/72/21/1225717221.db2.gz WFXNTJOWLOKFSL-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@H+]1C ZINC001041308193 1217275934 /nfs/dbraw/zinc/27/59/34/1217275934.db2.gz UVENKRMJQYGFPT-YQVWRLOYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001041308193 1217275936 /nfs/dbraw/zinc/27/59/36/1217275936.db2.gz UVENKRMJQYGFPT-YQVWRLOYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001041308193 1217275939 /nfs/dbraw/zinc/27/59/39/1217275939.db2.gz UVENKRMJQYGFPT-YQVWRLOYSA-N 2 1 360.506 0.933 20 0 FCADMP COC(=O)c1ccnc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001276922408 1225737676 /nfs/dbraw/zinc/73/76/76/1225737676.db2.gz BCVPSWZCLHNOCR-IBGZPJMESA-N 2 1 360.458 0.854 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130548 1225759346 /nfs/dbraw/zinc/75/93/46/1225759346.db2.gz PTHRBIFIXGHVGI-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130548 1225759351 /nfs/dbraw/zinc/75/93/51/1225759351.db2.gz PTHRBIFIXGHVGI-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130548 1225759356 /nfs/dbraw/zinc/75/93/56/1225759356.db2.gz PTHRBIFIXGHVGI-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)C1 ZINC001044433660 1217846299 /nfs/dbraw/zinc/84/62/99/1217846299.db2.gz XVVABAUUQAEFDB-ZACQAIPSSA-N 2 1 361.490 0.881 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)C1 ZINC001044433660 1217846301 /nfs/dbraw/zinc/84/63/01/1217846301.db2.gz XVVABAUUQAEFDB-ZACQAIPSSA-N 2 1 361.490 0.881 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044452138 1217847248 /nfs/dbraw/zinc/84/72/48/1217847248.db2.gz DOAKBLOATQXXBV-SDNTUTLCSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044452138 1217847249 /nfs/dbraw/zinc/84/72/49/1217847249.db2.gz DOAKBLOATQXXBV-SDNTUTLCSA-N 2 1 361.490 0.743 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014556 1217915578 /nfs/dbraw/zinc/91/55/78/1217915578.db2.gz GXEPCMPJMOOVCZ-RANZSIQMSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014556 1217915588 /nfs/dbraw/zinc/91/55/88/1217915588.db2.gz GXEPCMPJMOOVCZ-RANZSIQMSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014556 1217915590 /nfs/dbraw/zinc/91/55/90/1217915590.db2.gz GXEPCMPJMOOVCZ-RANZSIQMSA-N 2 1 358.486 0.949 20 0 FCADMP CN(C[C@H](O)CN1CCOCC1)C(=O)C1CCC(N2CCOCC2)CC1 ZINC000900983687 1218066525 /nfs/dbraw/zinc/06/65/25/1218066525.db2.gz IXGBMUJMTHUHHS-ABHNRTSZSA-N 2 1 369.506 0.029 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)cn1 ZINC001096139661 1218088397 /nfs/dbraw/zinc/08/83/97/1218088397.db2.gz HHCSCSSTTJKJEZ-QZWWFDLISA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)cn1 ZINC001096139661 1218088401 /nfs/dbraw/zinc/08/84/01/1218088401.db2.gz HHCSCSSTTJKJEZ-QZWWFDLISA-N 2 1 374.489 0.058 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001096139421 1218088620 /nfs/dbraw/zinc/08/86/20/1218088620.db2.gz BNHKBWPSMYZYSV-QZWWFDLISA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001096139421 1218088622 /nfs/dbraw/zinc/08/86/22/1218088622.db2.gz BNHKBWPSMYZYSV-QZWWFDLISA-N 2 1 374.489 0.011 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001047385059 1218137521 /nfs/dbraw/zinc/13/75/21/1218137521.db2.gz WGVZYWOIYYUWCK-BDXSIMOUSA-N 2 1 363.506 0.344 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001047385059 1218137526 /nfs/dbraw/zinc/13/75/26/1218137526.db2.gz WGVZYWOIYYUWCK-BDXSIMOUSA-N 2 1 363.506 0.344 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001047385059 1218137530 /nfs/dbraw/zinc/13/75/30/1218137530.db2.gz WGVZYWOIYYUWCK-BDXSIMOUSA-N 2 1 363.506 0.344 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)CC[N@H+]1C ZINC001047386173 1218138488 /nfs/dbraw/zinc/13/84/88/1218138488.db2.gz MWSVMFDAOJHFGD-MHORFTMASA-N 2 1 363.506 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)CC[NH+]1C ZINC001047386173 1218138495 /nfs/dbraw/zinc/13/84/95/1218138495.db2.gz MWSVMFDAOJHFGD-MHORFTMASA-N 2 1 363.506 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)CC[NH+]1C ZINC001047386173 1218138497 /nfs/dbraw/zinc/13/84/97/1218138497.db2.gz MWSVMFDAOJHFGD-MHORFTMASA-N 2 1 363.506 0.196 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001048528356 1218280702 /nfs/dbraw/zinc/28/07/02/1218280702.db2.gz VQUTWFDTEDVKFD-OOOWVJFSSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)CC[NH+]1C ZINC001048528356 1218280709 /nfs/dbraw/zinc/28/07/09/1218280709.db2.gz VQUTWFDTEDVKFD-OOOWVJFSSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)CC[NH+]1C ZINC001048528356 1218280713 /nfs/dbraw/zinc/28/07/13/1218280713.db2.gz VQUTWFDTEDVKFD-OOOWVJFSSA-N 2 1 362.518 0.964 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)nn1 ZINC001048829542 1218324185 /nfs/dbraw/zinc/32/41/85/1218324185.db2.gz SJBMBOYUYHMZLH-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP COc1ccc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)nn1 ZINC001048829542 1218324193 /nfs/dbraw/zinc/32/41/93/1218324193.db2.gz SJBMBOYUYHMZLH-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP COc1ccc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)nn1 ZINC001048829542 1218324200 /nfs/dbraw/zinc/32/42/00/1218324200.db2.gz SJBMBOYUYHMZLH-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891107 1218336603 /nfs/dbraw/zinc/33/66/03/1218336603.db2.gz KMERVHJUWZRCPB-UYTYNIKBSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891107 1218336608 /nfs/dbraw/zinc/33/66/08/1218336608.db2.gz KMERVHJUWZRCPB-UYTYNIKBSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891107 1218336615 /nfs/dbraw/zinc/33/66/15/1218336615.db2.gz KMERVHJUWZRCPB-UYTYNIKBSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891107 1218336621 /nfs/dbraw/zinc/33/66/21/1218336621.db2.gz KMERVHJUWZRCPB-UYTYNIKBSA-N 2 1 365.518 0.911 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923251 1218342284 /nfs/dbraw/zinc/34/22/84/1218342284.db2.gz LZRKGIAFWFLLGR-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048923251 1218342291 /nfs/dbraw/zinc/34/22/91/1218342291.db2.gz LZRKGIAFWFLLGR-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923251 1218342298 /nfs/dbraw/zinc/34/22/98/1218342298.db2.gz LZRKGIAFWFLLGR-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP O=C1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1CCN1CCOCC1 ZINC000903122548 1218366440 /nfs/dbraw/zinc/36/64/40/1218366440.db2.gz ZVESHSNIPULISC-MHGPCZNRSA-N 2 1 362.518 0.667 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001225526175 1225815052 /nfs/dbraw/zinc/81/50/52/1225815052.db2.gz YTXWBBQKRUNTIR-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001225526175 1225815054 /nfs/dbraw/zinc/81/50/54/1225815054.db2.gz YTXWBBQKRUNTIR-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001049485075 1218462396 /nfs/dbraw/zinc/46/23/96/1218462396.db2.gz KUHMTSBFWOSAEP-NCOADZHNSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485075 1218462401 /nfs/dbraw/zinc/46/24/01/1218462401.db2.gz KUHMTSBFWOSAEP-NCOADZHNSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485075 1218462407 /nfs/dbraw/zinc/46/24/07/1218462407.db2.gz KUHMTSBFWOSAEP-NCOADZHNSA-N 2 1 363.506 0.417 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)NC1CCCCC1 ZINC000903737694 1218510968 /nfs/dbraw/zinc/51/09/68/1218510968.db2.gz VAAMMADGAAHZKX-AZUAARDMSA-N 2 1 364.534 0.822 20 0 FCADMP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741170 1218512202 /nfs/dbraw/zinc/51/22/02/1218512202.db2.gz NSAWJWYYRBOGPA-ROUUACIJSA-N 2 1 364.534 0.774 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903780591 1218524583 /nfs/dbraw/zinc/52/45/83/1218524583.db2.gz JNLLJEJORMJEKI-BFMVXSJESA-N 2 1 365.518 0.887 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315306 1218772922 /nfs/dbraw/zinc/77/29/22/1218772922.db2.gz TYEIBAASNDPFCN-LVQVYYBASA-N 2 1 374.485 0.389 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315306 1218772927 /nfs/dbraw/zinc/77/29/27/1218772927.db2.gz TYEIBAASNDPFCN-LVQVYYBASA-N 2 1 374.485 0.389 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001097564922 1218819836 /nfs/dbraw/zinc/81/98/36/1218819836.db2.gz YLVBCBCKKRCUMA-WEXBMKDWSA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001097564922 1218819837 /nfs/dbraw/zinc/81/98/37/1218819837.db2.gz YLVBCBCKKRCUMA-WEXBMKDWSA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001097564922 1218819838 /nfs/dbraw/zinc/81/98/38/1218819838.db2.gz YLVBCBCKKRCUMA-WEXBMKDWSA-N 2 1 371.485 0.468 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851614 1218851276 /nfs/dbraw/zinc/85/12/76/1218851276.db2.gz GXEPCMPJMOOVCZ-HPBDAGMYSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851614 1218851279 /nfs/dbraw/zinc/85/12/79/1218851279.db2.gz GXEPCMPJMOOVCZ-HPBDAGMYSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851614 1218851281 /nfs/dbraw/zinc/85/12/81/1218851281.db2.gz GXEPCMPJMOOVCZ-HPBDAGMYSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@@H+]1C ZINC001054134750 1218899102 /nfs/dbraw/zinc/89/91/02/1218899102.db2.gz MJKAOPKRGFJAPQ-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@H+]1C ZINC001054134750 1218899104 /nfs/dbraw/zinc/89/91/04/1218899104.db2.gz MJKAOPKRGFJAPQ-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001054134750 1218899105 /nfs/dbraw/zinc/89/91/05/1218899105.db2.gz MJKAOPKRGFJAPQ-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001054134750 1218899106 /nfs/dbraw/zinc/89/91/06/1218899106.db2.gz MJKAOPKRGFJAPQ-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)O1 ZINC001227029046 1225861247 /nfs/dbraw/zinc/86/12/47/1225861247.db2.gz ZERBPGYHPFIJFD-MWQQHZPXSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)O1 ZINC001227029046 1225861257 /nfs/dbraw/zinc/86/12/57/1225861257.db2.gz ZERBPGYHPFIJFD-MWQQHZPXSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)O1 ZINC001227028607 1225861296 /nfs/dbraw/zinc/86/12/96/1225861296.db2.gz JHNGNDSHEMQKGR-MWQQHZPXSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)O1 ZINC001227028607 1225861298 /nfs/dbraw/zinc/86/12/98/1225861298.db2.gz JHNGNDSHEMQKGR-MWQQHZPXSA-N 2 1 366.506 0.249 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055580287 1219086305 /nfs/dbraw/zinc/08/63/05/1219086305.db2.gz BXPWJGMMPPVAOI-KSZLIROESA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cocn3)CC2)CC[N@H+]1C ZINC001055583284 1219088165 /nfs/dbraw/zinc/08/81/65/1219088165.db2.gz HLIPFYCDEBLSPO-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP CO[C@@H](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583401 1219088534 /nfs/dbraw/zinc/08/85/34/1219088534.db2.gz MHZLMUKCGGJYET-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804051645 1219104884 /nfs/dbraw/zinc/10/48/84/1219104884.db2.gz APOIPSXKILVEOZ-HOTGVXAUSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000804060033 1219113125 /nfs/dbraw/zinc/11/31/25/1219113125.db2.gz OWPRIEYPKVTPKS-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804062554 1219117543 /nfs/dbraw/zinc/11/75/43/1219117543.db2.gz ICARZSLAICBOHE-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096200 1219166293 /nfs/dbraw/zinc/16/62/93/1219166293.db2.gz NCDYYELIQOZGLO-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096200 1219166295 /nfs/dbraw/zinc/16/62/95/1219166295.db2.gz NCDYYELIQOZGLO-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096200 1219166297 /nfs/dbraw/zinc/16/62/97/1219166297.db2.gz NCDYYELIQOZGLO-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096200 1219166299 /nfs/dbraw/zinc/16/62/99/1219166299.db2.gz NCDYYELIQOZGLO-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158215 1219243348 /nfs/dbraw/zinc/24/33/48/1219243348.db2.gz BDJAQUMIZXVVLH-ZACQAIPSSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158215 1219243356 /nfs/dbraw/zinc/24/33/56/1219243356.db2.gz BDJAQUMIZXVVLH-ZACQAIPSSA-N 2 1 370.461 0.012 20 0 FCADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525265 1225878291 /nfs/dbraw/zinc/87/82/91/1225878291.db2.gz QWMYCUZSJFSTDJ-GVDBMIGSSA-N 2 1 368.478 0.232 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)OCC1=O ZINC001277228381 1225880731 /nfs/dbraw/zinc/88/07/31/1225880731.db2.gz MPHRPYKKEHIHEF-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070207757 1219294178 /nfs/dbraw/zinc/29/41/78/1219294178.db2.gz MRYYDLMTTOIPOH-SJORKVTESA-N 2 1 369.473 0.699 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC2CC(C)C2)[C@@H](n2ccnn2)C1 ZINC001070234663 1219310348 /nfs/dbraw/zinc/31/03/48/1219310348.db2.gz AXRYHVRVTBBJJK-BNICSPFPSA-N 2 1 357.462 0.871 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001070302226 1219360816 /nfs/dbraw/zinc/36/08/16/1219360816.db2.gz DXKNCFSXUHAYNH-SJORKVTESA-N 2 1 366.429 0.923 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070328300 1219378914 /nfs/dbraw/zinc/37/89/14/1219378914.db2.gz VPXSLYDLSPCECZ-CVEARBPZSA-N 2 1 359.434 0.212 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001070354487 1219391451 /nfs/dbraw/zinc/39/14/51/1219391451.db2.gz LRTYXOPFHXJALT-ZNMIVQPWSA-N 2 1 364.494 0.776 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC001070354487 1219391455 /nfs/dbraw/zinc/39/14/55/1219391455.db2.gz LRTYXOPFHXJALT-ZNMIVQPWSA-N 2 1 364.494 0.776 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC001070354487 1219391459 /nfs/dbraw/zinc/39/14/59/1219391459.db2.gz LRTYXOPFHXJALT-ZNMIVQPWSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001070355608 1219393927 /nfs/dbraw/zinc/39/39/27/1219393927.db2.gz KPGXEORHWIIKOB-GJZGRUSLSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001070355608 1219393930 /nfs/dbraw/zinc/39/39/30/1219393930.db2.gz KPGXEORHWIIKOB-GJZGRUSLSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001070367065 1219398939 /nfs/dbraw/zinc/39/89/39/1219398939.db2.gz CAQVEJQURUMHEA-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001070367065 1219398943 /nfs/dbraw/zinc/39/89/43/1219398943.db2.gz CAQVEJQURUMHEA-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070367342 1219399540 /nfs/dbraw/zinc/39/95/40/1219399540.db2.gz QKHDWXIWAOGVPL-RYRKJORJSA-N 2 1 368.497 0.916 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070563970 1219471324 /nfs/dbraw/zinc/47/13/24/1219471324.db2.gz ODTCMOWBXDYTTI-UKPHBRMFSA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070563970 1219471329 /nfs/dbraw/zinc/47/13/29/1219471329.db2.gz ODTCMOWBXDYTTI-UKPHBRMFSA-N 2 1 358.446 0.444 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001070915307 1219569514 /nfs/dbraw/zinc/56/95/14/1219569514.db2.gz UXYMGGXFESTQGF-XHSDSOJGSA-N 2 1 362.474 0.741 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001070915307 1219569518 /nfs/dbraw/zinc/56/95/18/1219569518.db2.gz UXYMGGXFESTQGF-XHSDSOJGSA-N 2 1 362.474 0.741 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001070915306 1219569840 /nfs/dbraw/zinc/56/98/40/1219569840.db2.gz UXYMGGXFESTQGF-OAGGEKHMSA-N 2 1 362.474 0.741 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001070915306 1219569841 /nfs/dbraw/zinc/56/98/41/1219569841.db2.gz UXYMGGXFESTQGF-OAGGEKHMSA-N 2 1 362.474 0.741 20 0 FCADMP CC(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001071001180 1219587613 /nfs/dbraw/zinc/58/76/13/1219587613.db2.gz JSSBDIOWCRUVMW-HZPDHXFCSA-N 2 1 361.490 0.830 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001071073089 1219600197 /nfs/dbraw/zinc/60/01/97/1219600197.db2.gz RFSNGXGTODEGAI-UNEWFSDZSA-N 2 1 363.462 0.051 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071090386 1219603613 /nfs/dbraw/zinc/60/36/13/1219603613.db2.gz MNWHJXZUZBIEPJ-AEFFLSMTSA-N 2 1 364.490 0.985 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)CC1 ZINC001072746528 1219620644 /nfs/dbraw/zinc/62/06/44/1219620644.db2.gz RXXNWNBQVMAACV-MSOLQXFVSA-N 2 1 365.518 0.650 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752499 1219621542 /nfs/dbraw/zinc/62/15/42/1219621542.db2.gz MYRQHFMSWYRMJE-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752499 1219621544 /nfs/dbraw/zinc/62/15/44/1219621544.db2.gz MYRQHFMSWYRMJE-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752499 1219621546 /nfs/dbraw/zinc/62/15/46/1219621546.db2.gz MYRQHFMSWYRMJE-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCCN2CCCC2=O)C3)CC[N@H+]1C ZINC001072752725 1219621649 /nfs/dbraw/zinc/62/16/49/1219621649.db2.gz YPZYVKAMUCYSQV-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CCCN2CCCC2=O)C3)CC[NH+]1C ZINC001072752725 1219621653 /nfs/dbraw/zinc/62/16/53/1219621653.db2.gz YPZYVKAMUCYSQV-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCCN2CCCC2=O)C3)CC[NH+]1C ZINC001072752725 1219621657 /nfs/dbraw/zinc/62/16/57/1219621657.db2.gz YPZYVKAMUCYSQV-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCN3CCCC3=O)CCCO2)CC[N@H+]1C ZINC001073610969 1219673037 /nfs/dbraw/zinc/67/30/37/1219673037.db2.gz KDRFLIYGMNODNR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCN3CCCC3=O)CCCO2)CC[NH+]1C ZINC001073610969 1219673038 /nfs/dbraw/zinc/67/30/38/1219673038.db2.gz KDRFLIYGMNODNR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCN3CCCC3=O)CCCO2)CC[NH+]1C ZINC001073610969 1219673039 /nfs/dbraw/zinc/67/30/39/1219673039.db2.gz KDRFLIYGMNODNR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611469 1219673837 /nfs/dbraw/zinc/67/38/37/1219673837.db2.gz XTTXVVWCOWCARN-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611469 1219673840 /nfs/dbraw/zinc/67/38/40/1219673840.db2.gz XTTXVVWCOWCARN-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611469 1219673842 /nfs/dbraw/zinc/67/38/42/1219673842.db2.gz XTTXVVWCOWCARN-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611469 1219673844 /nfs/dbraw/zinc/67/38/44/1219673844.db2.gz XTTXVVWCOWCARN-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001074663058 1219712027 /nfs/dbraw/zinc/71/20/27/1219712027.db2.gz BVOSTSJAIYKHOZ-LUKYLMHMSA-N 2 1 366.506 0.155 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098214657 1219742511 /nfs/dbraw/zinc/74/25/11/1219742511.db2.gz RINAOYZOCLXLRJ-HPBDAGMYSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001098214657 1219742515 /nfs/dbraw/zinc/74/25/15/1219742515.db2.gz RINAOYZOCLXLRJ-HPBDAGMYSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001098214657 1219742518 /nfs/dbraw/zinc/74/25/18/1219742518.db2.gz RINAOYZOCLXLRJ-HPBDAGMYSA-N 2 1 358.486 0.949 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001098223244 1219743533 /nfs/dbraw/zinc/74/35/33/1219743533.db2.gz BWRNZYANKVGHBR-VQHPVUNQSA-N 2 1 360.502 0.720 20 0 FCADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[NH+]3C)C2)cc1=O ZINC001098759733 1219820971 /nfs/dbraw/zinc/82/09/71/1219820971.db2.gz LBMGQJOLRTVBTF-QKLQHJQFSA-N 2 1 358.486 0.950 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[NH+]3C)C2)cc1=O ZINC001098759733 1219820975 /nfs/dbraw/zinc/82/09/75/1219820975.db2.gz LBMGQJOLRTVBTF-QKLQHJQFSA-N 2 1 358.486 0.950 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1=O ZINC001098759733 1219820977 /nfs/dbraw/zinc/82/09/77/1219820977.db2.gz LBMGQJOLRTVBTF-QKLQHJQFSA-N 2 1 358.486 0.950 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1=O ZINC001098759733 1219820980 /nfs/dbraw/zinc/82/09/80/1219820980.db2.gz LBMGQJOLRTVBTF-QKLQHJQFSA-N 2 1 358.486 0.950 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cncn2)C3)C1 ZINC001099027581 1219892309 /nfs/dbraw/zinc/89/23/09/1219892309.db2.gz NJUTZPZMPOUWLD-LPHOPBHVSA-N 2 1 360.506 0.981 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cncn2)C3)C1 ZINC001099027581 1219892311 /nfs/dbraw/zinc/89/23/11/1219892311.db2.gz NJUTZPZMPOUWLD-LPHOPBHVSA-N 2 1 360.506 0.981 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)C1 ZINC001099027581 1219892315 /nfs/dbraw/zinc/89/23/15/1219892315.db2.gz NJUTZPZMPOUWLD-LPHOPBHVSA-N 2 1 360.506 0.981 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+]([C@H]2CCCNC2=O)C3)C1 ZINC001099031526 1219893371 /nfs/dbraw/zinc/89/33/71/1219893371.db2.gz XQLADQPNIVTNMF-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCCNC2=O)C3)C1 ZINC001099031526 1219893372 /nfs/dbraw/zinc/89/33/72/1219893372.db2.gz XQLADQPNIVTNMF-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCCNC2=O)C3)C1 ZINC001099031526 1219893376 /nfs/dbraw/zinc/89/33/76/1219893376.db2.gz XQLADQPNIVTNMF-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001099159517 1219934775 /nfs/dbraw/zinc/93/47/75/1219934775.db2.gz HAOHLDASKAJANL-UWVAXJGDSA-N 2 1 358.486 0.808 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001099159517 1219934780 /nfs/dbraw/zinc/93/47/80/1219934780.db2.gz HAOHLDASKAJANL-UWVAXJGDSA-N 2 1 358.486 0.808 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001099159517 1219934783 /nfs/dbraw/zinc/93/47/83/1219934783.db2.gz HAOHLDASKAJANL-UWVAXJGDSA-N 2 1 358.486 0.808 20 0 FCADMP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)cn1 ZINC001099403835 1219983433 /nfs/dbraw/zinc/98/34/33/1219983433.db2.gz QQHPGOXLXUDQHX-LNLFQRSKSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)cn1 ZINC001099403835 1219983437 /nfs/dbraw/zinc/98/34/37/1219983437.db2.gz QQHPGOXLXUDQHX-LNLFQRSKSA-N 2 1 361.490 0.469 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)C1 ZINC001099500635 1220016140 /nfs/dbraw/zinc/01/61/40/1220016140.db2.gz ZMDOOBLRWUWIHE-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001099526662 1220023717 /nfs/dbraw/zinc/02/37/17/1220023717.db2.gz QCJGKBHJDGGXCP-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101172096 1220208419 /nfs/dbraw/zinc/20/84/19/1220208419.db2.gz WOLXCDMSMJBYGO-GJYPPUQNSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101172096 1220208425 /nfs/dbraw/zinc/20/84/25/1220208425.db2.gz WOLXCDMSMJBYGO-GJYPPUQNSA-N 2 1 365.522 0.569 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001101241457 1220241885 /nfs/dbraw/zinc/24/18/85/1220241885.db2.gz CECZKSPRIVWIRG-APWZRJJASA-N 2 1 363.506 0.875 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257154 1220249792 /nfs/dbraw/zinc/24/97/92/1220249792.db2.gz IWQBHIYWRULUPG-MDZRGWNJSA-N 2 1 370.513 0.973 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257640 1220250883 /nfs/dbraw/zinc/25/08/83/1220250883.db2.gz FDKWXFDPCRSHCG-NUJGCVRESA-N 2 1 366.485 0.738 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267870 1220256855 /nfs/dbraw/zinc/25/68/55/1220256855.db2.gz WORYPJYGWGMQNJ-HLIPFELVSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267870 1220256859 /nfs/dbraw/zinc/25/68/59/1220256859.db2.gz WORYPJYGWGMQNJ-HLIPFELVSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267870 1220256862 /nfs/dbraw/zinc/25/68/62/1220256862.db2.gz WORYPJYGWGMQNJ-HLIPFELVSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101272486 1220260003 /nfs/dbraw/zinc/26/00/03/1220260003.db2.gz OBSRDCULPDSOFB-KPFFTGBYSA-N 2 1 364.534 0.879 20 0 FCADMP CN(CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)c1cc[nH+]cc1 ZINC001101286455 1220268346 /nfs/dbraw/zinc/26/83/46/1220268346.db2.gz YMOPMAQOKVLZPJ-MDYRTPRTSA-N 2 1 371.485 0.577 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001101366871 1220303882 /nfs/dbraw/zinc/30/38/82/1220303882.db2.gz RMUHBYDUAFGBCO-XLIONFOSSA-N 2 1 358.486 0.427 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101366871 1220303887 /nfs/dbraw/zinc/30/38/87/1220303887.db2.gz RMUHBYDUAFGBCO-XLIONFOSSA-N 2 1 358.486 0.427 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101366871 1220303889 /nfs/dbraw/zinc/30/38/89/1220303889.db2.gz RMUHBYDUAFGBCO-XLIONFOSSA-N 2 1 358.486 0.427 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393035 1220319621 /nfs/dbraw/zinc/31/96/21/1220319621.db2.gz RSFKLJNCLCCNRB-MJGOQNOKSA-N 2 1 369.506 0.152 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393035 1220319626 /nfs/dbraw/zinc/31/96/26/1220319626.db2.gz RSFKLJNCLCCNRB-MJGOQNOKSA-N 2 1 369.506 0.152 20 0 FCADMP Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432165 1220341008 /nfs/dbraw/zinc/34/10/08/1220341008.db2.gz FFBWUABCNSORRE-JOQOYGCGSA-N 2 1 365.478 0.798 20 0 FCADMP Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432165 1220341013 /nfs/dbraw/zinc/34/10/13/1220341013.db2.gz FFBWUABCNSORRE-JOQOYGCGSA-N 2 1 365.478 0.798 20 0 FCADMP C[C@H](c1ncccn1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432222 1220341864 /nfs/dbraw/zinc/34/18/64/1220341864.db2.gz IAAFQRCFWULABJ-MDZRGWNJSA-N 2 1 361.490 0.896 20 0 FCADMP C[C@H](c1ncccn1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432222 1220341868 /nfs/dbraw/zinc/34/18/68/1220341868.db2.gz IAAFQRCFWULABJ-MDZRGWNJSA-N 2 1 361.490 0.896 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nc1 ZINC001101432763 1220342337 /nfs/dbraw/zinc/34/23/37/1220342337.db2.gz ZBZKGYIWCLHNCP-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nc1 ZINC001101432763 1220342342 /nfs/dbraw/zinc/34/23/42/1220342342.db2.gz ZBZKGYIWCLHNCP-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438849 1220345810 /nfs/dbraw/zinc/34/58/10/1220345810.db2.gz XQUKQUCBHGMVRL-LBTNJELSSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438849 1220345813 /nfs/dbraw/zinc/34/58/13/1220345813.db2.gz XQUKQUCBHGMVRL-LBTNJELSSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438849 1220345818 /nfs/dbraw/zinc/34/58/18/1220345818.db2.gz XQUKQUCBHGMVRL-LBTNJELSSA-N 2 1 367.494 0.082 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478396 1220367424 /nfs/dbraw/zinc/36/74/24/1220367424.db2.gz MDBQWDYAFRRINH-GJYPPUQNSA-N 2 1 360.506 0.886 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478396 1220367428 /nfs/dbraw/zinc/36/74/28/1220367428.db2.gz MDBQWDYAFRRINH-GJYPPUQNSA-N 2 1 360.506 0.886 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478396 1220367430 /nfs/dbraw/zinc/36/74/30/1220367430.db2.gz MDBQWDYAFRRINH-GJYPPUQNSA-N 2 1 360.506 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976196 1220449895 /nfs/dbraw/zinc/44/98/95/1220449895.db2.gz OHSQJAMMIUZJQT-OIISXLGYSA-N 2 1 364.534 0.927 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012902 1220461570 /nfs/dbraw/zinc/46/15/70/1220461570.db2.gz ANJBRLYLWSBDFN-BRWVUGGUSA-N 2 1 370.513 0.973 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048735 1220476768 /nfs/dbraw/zinc/47/67/68/1220476768.db2.gz NARQRGNYPYQEKB-OIISXLGYSA-N 2 1 367.538 0.718 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102049808 1220476773 /nfs/dbraw/zinc/47/67/73/1220476773.db2.gz FAGFIQSNNRBXOI-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102049808 1220476774 /nfs/dbraw/zinc/47/67/74/1220476774.db2.gz FAGFIQSNNRBXOI-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102049808 1220476775 /nfs/dbraw/zinc/47/67/75/1220476775.db2.gz FAGFIQSNNRBXOI-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1C ZINC001102047687 1220477158 /nfs/dbraw/zinc/47/71/58/1220477158.db2.gz PRKVREWHHFDSGV-DDUZABMNSA-N 2 1 362.522 0.902 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1C ZINC001102047687 1220477162 /nfs/dbraw/zinc/47/71/62/1220477162.db2.gz PRKVREWHHFDSGV-DDUZABMNSA-N 2 1 362.522 0.902 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086244 1220491365 /nfs/dbraw/zinc/49/13/65/1220491365.db2.gz WBIRRUGVEDDDER-HZPDHXFCSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091030 1220492998 /nfs/dbraw/zinc/49/29/98/1220492998.db2.gz OLFSDAAHFCORGB-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091030 1220493000 /nfs/dbraw/zinc/49/30/00/1220493000.db2.gz OLFSDAAHFCORGB-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091030 1220493004 /nfs/dbraw/zinc/49/30/04/1220493004.db2.gz OLFSDAAHFCORGB-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102157431 1220527558 /nfs/dbraw/zinc/52/75/58/1220527558.db2.gz IFHIXRKRQBHBJG-FVQBIDKESA-N 2 1 357.462 0.655 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102157431 1220527565 /nfs/dbraw/zinc/52/75/65/1220527565.db2.gz IFHIXRKRQBHBJG-FVQBIDKESA-N 2 1 357.462 0.655 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190510 1220544205 /nfs/dbraw/zinc/54/42/05/1220544205.db2.gz AULIFILEOAEAFQ-ZIAGYGMSSA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189916 1220544978 /nfs/dbraw/zinc/54/49/78/1220544978.db2.gz IFDRGGBGTVKYAG-KBAYOESNSA-N 2 1 360.506 0.837 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213311 1220555630 /nfs/dbraw/zinc/55/56/30/1220555630.db2.gz APGNXOVEPRCTEV-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290426 1220575897 /nfs/dbraw/zinc/57/58/97/1220575897.db2.gz DQAFENXKPNLIIN-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290426 1220575903 /nfs/dbraw/zinc/57/59/03/1220575903.db2.gz DQAFENXKPNLIIN-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320642 1220582967 /nfs/dbraw/zinc/58/29/67/1220582967.db2.gz MTFPKHIVXHTGIF-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320769 1220584103 /nfs/dbraw/zinc/58/41/03/1220584103.db2.gz SHHDCONOSIJBID-OWCLPIDISA-N 2 1 364.490 0.920 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370045 1220596736 /nfs/dbraw/zinc/59/67/36/1220596736.db2.gz PAOQWZBCAJOREL-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370045 1220596745 /nfs/dbraw/zinc/59/67/45/1220596745.db2.gz PAOQWZBCAJOREL-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370045 1220596755 /nfs/dbraw/zinc/59/67/55/1220596755.db2.gz PAOQWZBCAJOREL-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375409 1220597899 /nfs/dbraw/zinc/59/78/99/1220597899.db2.gz HREWJEDDRYAYAN-RBSFLKMASA-N 2 1 365.526 0.933 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375409 1220597904 /nfs/dbraw/zinc/59/79/04/1220597904.db2.gz HREWJEDDRYAYAN-RBSFLKMASA-N 2 1 365.526 0.933 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375409 1220597908 /nfs/dbraw/zinc/59/79/08/1220597908.db2.gz HREWJEDDRYAYAN-RBSFLKMASA-N 2 1 365.526 0.933 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375409 1220597914 /nfs/dbraw/zinc/59/79/14/1220597914.db2.gz HREWJEDDRYAYAN-RBSFLKMASA-N 2 1 365.526 0.933 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001102378442 1220600680 /nfs/dbraw/zinc/60/06/80/1220600680.db2.gz WIDYLNDWJQEVKR-INMHGKMJSA-N 2 1 364.490 0.920 20 0 FCADMP C[C@H](COCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102385038 1220603196 /nfs/dbraw/zinc/60/31/96/1220603196.db2.gz OXARIKRMDPRGSK-KZNAEPCWSA-N 2 1 371.522 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434148 1220623025 /nfs/dbraw/zinc/62/30/25/1220623025.db2.gz QLNDFFOBCBCPTJ-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102497405 1220658109 /nfs/dbraw/zinc/65/81/09/1220658109.db2.gz REECEDPSUFTRPP-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102497405 1220658111 /nfs/dbraw/zinc/65/81/11/1220658111.db2.gz REECEDPSUFTRPP-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102497405 1220658113 /nfs/dbraw/zinc/65/81/13/1220658113.db2.gz REECEDPSUFTRPP-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513638 1220672793 /nfs/dbraw/zinc/67/27/93/1220672793.db2.gz UVCJFTMWROGTDJ-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1C ZINC001102513985 1220673844 /nfs/dbraw/zinc/67/38/44/1220673844.db2.gz IFPNBKNHVNCNSW-OWCLPIDISA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1C ZINC001102513985 1220673847 /nfs/dbraw/zinc/67/38/47/1220673847.db2.gz IFPNBKNHVNCNSW-OWCLPIDISA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1C ZINC001102513985 1220673851 /nfs/dbraw/zinc/67/38/51/1220673851.db2.gz IFPNBKNHVNCNSW-OWCLPIDISA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1C ZINC001102513985 1220673855 /nfs/dbraw/zinc/67/38/55/1220673855.db2.gz IFPNBKNHVNCNSW-OWCLPIDISA-N 2 1 362.522 0.903 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)cc1=O ZINC001102579246 1220701638 /nfs/dbraw/zinc/70/16/38/1220701638.db2.gz OYBVKDZFVMKKMR-HUUCEWRRSA-N 2 1 363.458 0.928 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102580901 1220702226 /nfs/dbraw/zinc/70/22/26/1220702226.db2.gz PTKDRADWJNDHRP-GDBMZVCRSA-N 2 1 364.494 0.583 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102580901 1220702228 /nfs/dbraw/zinc/70/22/28/1220702228.db2.gz PTKDRADWJNDHRP-GDBMZVCRSA-N 2 1 364.494 0.583 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C ZINC001102581035 1220705109 /nfs/dbraw/zinc/70/51/09/1220705109.db2.gz WMXXPXOOFQSACF-IXDOHACOSA-N 2 1 363.506 0.573 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102600966 1220722489 /nfs/dbraw/zinc/72/24/89/1220722489.db2.gz FICCYWOYMWAOMR-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102600966 1220722493 /nfs/dbraw/zinc/72/24/93/1220722493.db2.gz FICCYWOYMWAOMR-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102600966 1220722497 /nfs/dbraw/zinc/72/24/97/1220722497.db2.gz FICCYWOYMWAOMR-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782258 1220782568 /nfs/dbraw/zinc/78/25/68/1220782568.db2.gz JHLRFADGDHIYBL-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102782258 1220782572 /nfs/dbraw/zinc/78/25/72/1220782572.db2.gz JHLRFADGDHIYBL-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102782258 1220782576 /nfs/dbraw/zinc/78/25/76/1220782576.db2.gz JHLRFADGDHIYBL-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050257 1220823927 /nfs/dbraw/zinc/82/39/27/1220823927.db2.gz ZQFLOWJGISIPBI-BRWVUGGUSA-N 2 1 370.513 0.973 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103086494 1220830882 /nfs/dbraw/zinc/83/08/82/1220830882.db2.gz FSPOQALFCONSFQ-BJZITVGISA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170961 1220843858 /nfs/dbraw/zinc/84/38/58/1220843858.db2.gz LPTYOLHGNRTKMZ-XJKCOSOUSA-N 2 1 365.478 0.688 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170961 1220843860 /nfs/dbraw/zinc/84/38/60/1220843860.db2.gz LPTYOLHGNRTKMZ-XJKCOSOUSA-N 2 1 365.478 0.688 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185751 1220847915 /nfs/dbraw/zinc/84/79/15/1220847915.db2.gz OGYSXXHMDFTCLG-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001103234281 1220855129 /nfs/dbraw/zinc/85/51/29/1220855129.db2.gz KDACRVQXSYHWLN-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001103234281 1220855132 /nfs/dbraw/zinc/85/51/32/1220855132.db2.gz KDACRVQXSYHWLN-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP COCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249902 1220856344 /nfs/dbraw/zinc/85/63/44/1220856344.db2.gz XBLDOZZNOKJXMF-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP COCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001103249902 1220856346 /nfs/dbraw/zinc/85/63/46/1220856346.db2.gz XBLDOZZNOKJXMF-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP COCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001103249902 1220856351 /nfs/dbraw/zinc/85/63/51/1220856351.db2.gz XBLDOZZNOKJXMF-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396782 1220876937 /nfs/dbraw/zinc/87/69/37/1220876937.db2.gz JIANBMHVWFQGNK-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443604 1220884523 /nfs/dbraw/zinc/88/45/23/1220884523.db2.gz BUCZWVYCQNOABZ-OAGGEKHMSA-N 2 1 365.526 0.998 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443604 1220884525 /nfs/dbraw/zinc/88/45/25/1220884525.db2.gz BUCZWVYCQNOABZ-OAGGEKHMSA-N 2 1 365.526 0.998 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103483447 1220889701 /nfs/dbraw/zinc/88/97/01/1220889701.db2.gz CNQDPEXNSMNHJV-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103483447 1220889702 /nfs/dbraw/zinc/88/97/02/1220889702.db2.gz CNQDPEXNSMNHJV-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537071 1220897381 /nfs/dbraw/zinc/89/73/81/1220897381.db2.gz QMKLVRMDCMWEIN-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537071 1220897382 /nfs/dbraw/zinc/89/73/82/1220897382.db2.gz QMKLVRMDCMWEIN-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584504 1220908134 /nfs/dbraw/zinc/90/81/34/1220908134.db2.gz WNTVPQFAZWBJTR-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103614715 1220914299 /nfs/dbraw/zinc/91/42/99/1220914299.db2.gz QYAYHAQDEYYNJK-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103614715 1220914300 /nfs/dbraw/zinc/91/43/00/1220914300.db2.gz QYAYHAQDEYYNJK-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103614715 1220914304 /nfs/dbraw/zinc/91/43/04/1220914304.db2.gz QYAYHAQDEYYNJK-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642300 1220926118 /nfs/dbraw/zinc/92/61/18/1220926118.db2.gz ZBFZIDVDZWTVEL-IAGOWNOFSA-N 2 1 365.522 0.615 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642998 1220926466 /nfs/dbraw/zinc/92/64/66/1220926466.db2.gz CWGGAWKLHHWAGS-OWCLPIDISA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001103681315 1220937949 /nfs/dbraw/zinc/93/79/49/1220937949.db2.gz ALWKQZTZGLTVJS-LMMKCTJWSA-N 2 1 360.506 0.838 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001103681315 1220937954 /nfs/dbraw/zinc/93/79/54/1220937954.db2.gz ALWKQZTZGLTVJS-LMMKCTJWSA-N 2 1 360.506 0.838 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001103681315 1220937958 /nfs/dbraw/zinc/93/79/58/1220937958.db2.gz ALWKQZTZGLTVJS-LMMKCTJWSA-N 2 1 360.506 0.838 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001103719087 1220951025 /nfs/dbraw/zinc/95/10/25/1220951025.db2.gz QGBLYHABHJIOOT-OLMNPRSZSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001103719087 1220951032 /nfs/dbraw/zinc/95/10/32/1220951032.db2.gz QGBLYHABHJIOOT-OLMNPRSZSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001103719087 1220951038 /nfs/dbraw/zinc/95/10/38/1220951038.db2.gz QGBLYHABHJIOOT-OLMNPRSZSA-N 2 1 362.522 0.921 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723590 1220952327 /nfs/dbraw/zinc/95/23/27/1220952327.db2.gz SLFWXDAFBAMFLM-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722341 1220952908 /nfs/dbraw/zinc/95/29/08/1220952908.db2.gz JKSXDKTWDGNWQF-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033638 1221000832 /nfs/dbraw/zinc/00/08/32/1221000832.db2.gz APFWSQPIKODIEJ-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033638 1221000838 /nfs/dbraw/zinc/00/08/38/1221000838.db2.gz APFWSQPIKODIEJ-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001104212412 1221022313 /nfs/dbraw/zinc/02/23/13/1221022313.db2.gz HUERMBFLLRGDSX-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111766925 1221097048 /nfs/dbraw/zinc/09/70/48/1221097048.db2.gz IRZFIOBVRWMKOM-JZXOWHBKSA-N 2 1 366.485 0.929 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858025 1221138762 /nfs/dbraw/zinc/13/87/62/1221138762.db2.gz KUCJWFWCNKTLBA-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111903935 1221158896 /nfs/dbraw/zinc/15/88/96/1221158896.db2.gz YQXYLSYBIYEPED-HKUYNNGSSA-N 2 1 364.490 0.951 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111903935 1221158898 /nfs/dbraw/zinc/15/88/98/1221158898.db2.gz YQXYLSYBIYEPED-HKUYNNGSSA-N 2 1 364.490 0.951 20 0 FCADMP CNC(=O)C1([NH2+]CC2(C[NH2+]C3(C(=O)NC)CCCC3)COC2)CCCC1 ZINC000782488485 1221163294 /nfs/dbraw/zinc/16/32/94/1221163294.db2.gz WEHKBSMJDPPGLR-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939905 1221179841 /nfs/dbraw/zinc/17/98/41/1221179841.db2.gz ZLYAZSGSMZYHDV-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983105 1221192641 /nfs/dbraw/zinc/19/26/41/1221192641.db2.gz BGZRCLUWNMNJMC-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983105 1221192646 /nfs/dbraw/zinc/19/26/46/1221192646.db2.gz BGZRCLUWNMNJMC-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983105 1221192649 /nfs/dbraw/zinc/19/26/49/1221192649.db2.gz BGZRCLUWNMNJMC-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983105 1221192654 /nfs/dbraw/zinc/19/26/54/1221192654.db2.gz BGZRCLUWNMNJMC-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009919 1221199791 /nfs/dbraw/zinc/19/97/91/1221199791.db2.gz ZZAUMBCWWLBIKS-LNLFQRSKSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009919 1221199793 /nfs/dbraw/zinc/19/97/93/1221199793.db2.gz ZZAUMBCWWLBIKS-LNLFQRSKSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009919 1221199795 /nfs/dbraw/zinc/19/97/95/1221199795.db2.gz ZZAUMBCWWLBIKS-LNLFQRSKSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112431974 1221258298 /nfs/dbraw/zinc/25/82/98/1221258298.db2.gz UILSSLMWDLTIIO-VPWXQRGCSA-N 2 1 362.518 0.968 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC001116115809 1221337206 /nfs/dbraw/zinc/33/72/06/1221337206.db2.gz FFOFXJOIFMGNSG-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP C[N@H+](CCCO)C1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001116115809 1221337211 /nfs/dbraw/zinc/33/72/11/1221337211.db2.gz FFOFXJOIFMGNSG-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001116115809 1221337215 /nfs/dbraw/zinc/33/72/15/1221337215.db2.gz FFOFXJOIFMGNSG-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229876841 1226038373 /nfs/dbraw/zinc/03/83/73/1226038373.db2.gz DPLZHQSQGWRVJS-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC001116829076 1221393690 /nfs/dbraw/zinc/39/36/90/1221393690.db2.gz IKRDPTDVEUOHGP-AWEZNQCLSA-N 2 1 362.478 0.546 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001117281252 1221503341 /nfs/dbraw/zinc/50/33/41/1221503341.db2.gz NPARBLJGIBEWBN-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC001117327941 1221520695 /nfs/dbraw/zinc/52/06/95/1221520695.db2.gz ORULZUMYVZHQHJ-HOCLYGCPSA-N 2 1 359.474 0.907 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC001117327941 1221520700 /nfs/dbraw/zinc/52/07/00/1221520700.db2.gz ORULZUMYVZHQHJ-HOCLYGCPSA-N 2 1 359.474 0.907 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138935 1226056759 /nfs/dbraw/zinc/05/67/59/1226056759.db2.gz WEJPHGPSXAEDEX-RBSFLKMASA-N 2 1 367.494 0.191 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147623 1226057821 /nfs/dbraw/zinc/05/78/21/1226057821.db2.gz KBVOLKQJOXHJNA-MRVWCRGKSA-N 2 1 364.450 0.053 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001230215257 1226064968 /nfs/dbraw/zinc/06/49/68/1226064968.db2.gz LDANJIUQEVZTLB-ZACQAIPSSA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001230215257 1226064970 /nfs/dbraw/zinc/06/49/70/1226064970.db2.gz LDANJIUQEVZTLB-ZACQAIPSSA-N 2 1 366.506 0.250 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCC([NH3+])CC3)CC2)nc(C)[nH+]1 ZINC001118974966 1221852594 /nfs/dbraw/zinc/85/25/94/1221852594.db2.gz KLPXJBHXFKHQDR-UHFFFAOYSA-N 2 1 360.462 0.128 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)c2)C1 ZINC001119005366 1221854361 /nfs/dbraw/zinc/85/43/61/1221854361.db2.gz KPUWVYKTUSTUMR-VSZNYVQBSA-N 2 1 356.470 0.608 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001119362152 1221905979 /nfs/dbraw/zinc/90/59/79/1221905979.db2.gz ILOFBILMSSLPCP-AEFFLSMTSA-N 2 1 360.502 0.987 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410143 1221913786 /nfs/dbraw/zinc/91/37/86/1221913786.db2.gz UVYGVDWPMMXFHN-HOTGVXAUSA-N 2 1 366.506 0.109 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119482214 1221923220 /nfs/dbraw/zinc/92/32/20/1221923220.db2.gz FIORMZPBCQBIFC-BZSNNMDCSA-N 2 1 367.538 0.552 20 0 FCADMP CNC(=O)C[NH+]1CCC(n2nnnc2N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC001120128139 1222026191 /nfs/dbraw/zinc/02/61/91/1222026191.db2.gz WAARFZMFXMWFKL-CQSZACIVSA-N 2 1 364.498 0.023 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001120395235 1222077230 /nfs/dbraw/zinc/07/72/30/1222077230.db2.gz QXHZBSKKQGSFDW-MRXNPFEDSA-N 2 1 373.501 0.967 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 ZINC001120511669 1222097842 /nfs/dbraw/zinc/09/78/42/1222097842.db2.gz SLIHEYQERGFHHX-ZBFHGGJFSA-N 2 1 355.398 0.665 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001120643229 1222110968 /nfs/dbraw/zinc/11/09/68/1222110968.db2.gz YRUYGQPDGAGGGY-BBWFWOEESA-N 2 1 366.506 0.386 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1)C1CC[NH+](C)CC1 ZINC001121059054 1222144403 /nfs/dbraw/zinc/14/44/03/1222144403.db2.gz XSUMMMPRRWRYIZ-SFHVURJKSA-N 2 1 373.501 0.976 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1)C1CC[NH+](C)CC1 ZINC001121059054 1222144406 /nfs/dbraw/zinc/14/44/06/1222144406.db2.gz XSUMMMPRRWRYIZ-SFHVURJKSA-N 2 1 373.501 0.976 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCNC(=O)C2CC2)C3)CC[N@H+]1C ZINC001121133999 1222150626 /nfs/dbraw/zinc/15/06/26/1222150626.db2.gz NXCTWXJDMDIHLU-NQTHDAFZSA-N 2 1 362.518 0.870 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001121928404 1222225687 /nfs/dbraw/zinc/22/56/87/1222225687.db2.gz OICNXIOLFGXAAW-IBGZPJMESA-N 2 1 364.465 0.569 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)CC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC001122433958 1222273529 /nfs/dbraw/zinc/27/35/29/1222273529.db2.gz HALNVJMXCRTIFY-LDWRGQNGSA-N 2 1 364.490 0.086 20 0 FCADMP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C(C)C)n1 ZINC001122834497 1222300134 /nfs/dbraw/zinc/30/01/34/1222300134.db2.gz AOKDWWJINYVZPS-RBSFLKMASA-N 2 1 365.478 0.517 20 0 FCADMP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C(C)C)n1 ZINC001122834497 1222300139 /nfs/dbraw/zinc/30/01/39/1222300139.db2.gz AOKDWWJINYVZPS-RBSFLKMASA-N 2 1 365.478 0.517 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123506140 1222336063 /nfs/dbraw/zinc/33/60/63/1222336063.db2.gz VPEMAXGVQVMBHA-CGTJXYLNSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001123630387 1222345164 /nfs/dbraw/zinc/34/51/64/1222345164.db2.gz ICGFXDWEGZCXEI-CZUORRHYSA-N 2 1 373.457 0.483 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123632004 1222345260 /nfs/dbraw/zinc/34/52/60/1222345260.db2.gz XBVJODOCLNJBNR-XOYOTBSWSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123632004 1222345270 /nfs/dbraw/zinc/34/52/70/1222345270.db2.gz XBVJODOCLNJBNR-XOYOTBSWSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123632004 1222345274 /nfs/dbraw/zinc/34/52/74/1222345274.db2.gz XBVJODOCLNJBNR-XOYOTBSWSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636310 1222345619 /nfs/dbraw/zinc/34/56/19/1222345619.db2.gz KLRQYCZSKVEQEU-YLJYHZDGSA-N 2 1 371.529 0.935 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3COC[C@H]3OC)cc2)CC1 ZINC000830081489 1222462926 /nfs/dbraw/zinc/46/29/26/1222462926.db2.gz RBLMWURTVOTBKA-QZTJIDSGSA-N 2 1 362.474 0.770 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccc(=O)[nH]c2)CC3)CC1 ZINC001139466435 1222551228 /nfs/dbraw/zinc/55/12/28/1222551228.db2.gz MGKFLLMDPFBOBR-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(=O)[nH]c2)CC3)CC1 ZINC001139466435 1222551233 /nfs/dbraw/zinc/55/12/33/1222551233.db2.gz MGKFLLMDPFBOBR-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC000834594714 1222580810 /nfs/dbraw/zinc/58/08/10/1222580810.db2.gz UZHYUVYLYDOPFE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC000834594714 1222580815 /nfs/dbraw/zinc/58/08/15/1222580815.db2.gz UZHYUVYLYDOPFE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585590 1222580951 /nfs/dbraw/zinc/58/09/51/1222580951.db2.gz ICPXQZJIKBZARI-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585590 1222580953 /nfs/dbraw/zinc/58/09/53/1222580953.db2.gz ICPXQZJIKBZARI-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585590 1222580955 /nfs/dbraw/zinc/58/09/55/1222580955.db2.gz ICPXQZJIKBZARI-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585590 1222580958 /nfs/dbraw/zinc/58/09/58/1222580958.db2.gz ICPXQZJIKBZARI-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000834585590 1222580960 /nfs/dbraw/zinc/58/09/60/1222580960.db2.gz ICPXQZJIKBZARI-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698810 1222585267 /nfs/dbraw/zinc/58/52/67/1222585267.db2.gz OHHANQKGMSVMFO-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698810 1222585272 /nfs/dbraw/zinc/58/52/72/1222585272.db2.gz OHHANQKGMSVMFO-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834698810 1222585274 /nfs/dbraw/zinc/58/52/74/1222585274.db2.gz OHHANQKGMSVMFO-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834698810 1222585278 /nfs/dbraw/zinc/58/52/78/1222585278.db2.gz OHHANQKGMSVMFO-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1cnn(C)n1 ZINC000838616191 1222688663 /nfs/dbraw/zinc/68/86/63/1222688663.db2.gz VQFLKDQOFCLYMW-QGZVFWFLSA-N 2 1 365.526 0.805 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1cnn(C)n1 ZINC000838616186 1222688778 /nfs/dbraw/zinc/68/87/78/1222688778.db2.gz VQFLKDQOFCLYMW-KRWDZBQOSA-N 2 1 365.526 0.805 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232366294 1226148377 /nfs/dbraw/zinc/14/83/77/1226148377.db2.gz YUTYQIJJVYRXAN-LPHOPBHVSA-N 2 1 360.458 0.455 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841184125 1222812451 /nfs/dbraw/zinc/81/24/51/1222812451.db2.gz FNGSYHUXHQLGGM-QGZVFWFLSA-N 2 1 361.490 0.867 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)[C@H](C)C[NH2+]1 ZINC000841208011 1222813723 /nfs/dbraw/zinc/81/37/23/1222813723.db2.gz WOQRTMQUNLZTJK-HZPDHXFCSA-N 2 1 373.501 0.976 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000841208082 1222813733 /nfs/dbraw/zinc/81/37/33/1222813733.db2.gz BSWBNCWFMDDBJG-UHFFFAOYSA-N 2 1 359.474 0.765 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926222 1222832278 /nfs/dbraw/zinc/83/22/78/1222832278.db2.gz CBOWTXHIGAPPJS-GOSISDBHSA-N 2 1 373.501 0.636 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000842132449 1222836308 /nfs/dbraw/zinc/83/63/08/1222836308.db2.gz BXCBWDLAJOSQJP-DZJNRPSUSA-N 2 1 358.486 0.867 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c(=O)n(C)c1=O ZINC000843355537 1222872641 /nfs/dbraw/zinc/87/26/41/1222872641.db2.gz UKQYDNHRSAVKCW-UHFFFAOYSA-N 2 1 365.478 0.170 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)NC(=O)N[C@H]1C ZINC000843389358 1222874957 /nfs/dbraw/zinc/87/49/57/1222874957.db2.gz QFCQQUSYCGZYEA-GHJWDPDVSA-N 2 1 366.462 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)CCCO2)CC[N@@H+]1C ZINC001149733518 1222888482 /nfs/dbraw/zinc/88/84/82/1222888482.db2.gz HCWCMNPCBSTHCI-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)CCCO2)CC[N@H+]1C ZINC001149733518 1222888484 /nfs/dbraw/zinc/88/84/84/1222888484.db2.gz HCWCMNPCBSTHCI-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)CCCO2)CC[NH+]1C ZINC001149733518 1222888489 /nfs/dbraw/zinc/88/84/89/1222888489.db2.gz HCWCMNPCBSTHCI-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CCCO2)CC[NH+]1C ZINC001149733518 1222888491 /nfs/dbraw/zinc/88/84/91/1222888491.db2.gz HCWCMNPCBSTHCI-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)OC)CC1 ZINC001151180267 1222918205 /nfs/dbraw/zinc/91/82/05/1222918205.db2.gz HPPIKAMFFFALJP-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)OC)CC1 ZINC001151180267 1222918210 /nfs/dbraw/zinc/91/82/10/1222918210.db2.gz HPPIKAMFFFALJP-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP COCCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001151175081 1222918547 /nfs/dbraw/zinc/91/85/47/1222918547.db2.gz WZTXSFBGOSMIOT-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP COCCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001151175081 1222918548 /nfs/dbraw/zinc/91/85/48/1222918548.db2.gz WZTXSFBGOSMIOT-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP CC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001277712741 1226168553 /nfs/dbraw/zinc/16/85/53/1226168553.db2.gz KXSHOTGLFVFTOE-MSOLQXFVSA-N 2 1 366.550 0.613 20 0 FCADMP [NH3+][C@@H]1Cc2ccccc2N(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001155307323 1223032644 /nfs/dbraw/zinc/03/26/44/1223032644.db2.gz SNHRCSAAECBTTO-CQSZACIVSA-N 2 1 352.442 0.938 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(CN4C(=O)CCC4=O)cn3)C2)C1 ZINC001155377619 1223033960 /nfs/dbraw/zinc/03/39/60/1223033960.db2.gz UAAWOAONBMZWDC-MRXNPFEDSA-N 2 1 357.458 0.590 20 0 FCADMP CCOC(=O)N1CCc2nnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)cc2C1 ZINC001155382310 1223034599 /nfs/dbraw/zinc/03/45/99/1223034599.db2.gz LCKHEHRMJGQSQP-INIZCTEOSA-N 2 1 374.489 0.851 20 0 FCADMP COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037731 1223066182 /nfs/dbraw/zinc/06/61/82/1223066182.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 1 371.441 0.917 20 0 FCADMP COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037731 1223066186 /nfs/dbraw/zinc/06/61/86/1223066186.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 1 371.441 0.917 20 0 FCADMP COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037731 1223066191 /nfs/dbraw/zinc/06/61/91/1223066191.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 1 371.441 0.917 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001157323114 1223073866 /nfs/dbraw/zinc/07/38/66/1223073866.db2.gz MUPXVRXHLWRNIF-IRXDYDNUSA-N 2 1 362.474 0.247 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001157323114 1223073868 /nfs/dbraw/zinc/07/38/68/1223073868.db2.gz MUPXVRXHLWRNIF-IRXDYDNUSA-N 2 1 362.474 0.247 20 0 FCADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721515 1223080960 /nfs/dbraw/zinc/08/09/60/1223080960.db2.gz ZAPJBVKYJWEFTI-MSOLQXFVSA-N 3 1 358.486 0.155 20 0 FCADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721515 1223080962 /nfs/dbraw/zinc/08/09/62/1223080962.db2.gz ZAPJBVKYJWEFTI-MSOLQXFVSA-N 3 1 358.486 0.155 20 0 FCADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721522 1223081358 /nfs/dbraw/zinc/08/13/58/1223081358.db2.gz ZAPJBVKYJWEFTI-ROUUACIJSA-N 3 1 358.486 0.155 20 0 FCADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721522 1223081360 /nfs/dbraw/zinc/08/13/60/1223081360.db2.gz ZAPJBVKYJWEFTI-ROUUACIJSA-N 3 1 358.486 0.155 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158411581 1223096956 /nfs/dbraw/zinc/09/69/56/1223096956.db2.gz HCCPBBMAPDVABV-YESZJQIVSA-N 2 1 370.538 0.744 20 0 FCADMP [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158564375 1223102302 /nfs/dbraw/zinc/10/23/02/1223102302.db2.gz FRPFCCQMBBQLEF-PMPSAXMXSA-N 2 1 355.446 0.193 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759621 1223107114 /nfs/dbraw/zinc/10/71/14/1223107114.db2.gz RYJGDPGDGFAYGD-UHFFFAOYSA-N 2 1 358.490 0.780 20 0 FCADMP Cn1cc([C@H]2COC3(C2)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC3)cn1 ZINC001158982790 1223114901 /nfs/dbraw/zinc/11/49/01/1223114901.db2.gz MPJHBNHNMPMRFW-OAHLLOKOSA-N 2 1 361.490 0.627 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)C2)C1 ZINC001159124626 1223117701 /nfs/dbraw/zinc/11/77/01/1223117701.db2.gz OXLAKWPQEWEURA-GPMSIDNRSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)C2)C1 ZINC001159124626 1223117702 /nfs/dbraw/zinc/11/77/02/1223117702.db2.gz OXLAKWPQEWEURA-GPMSIDNRSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)C2)C1 ZINC001159124627 1223117910 /nfs/dbraw/zinc/11/79/10/1223117910.db2.gz OXLAKWPQEWEURA-JTDSTZFVSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)C2)C1 ZINC001159124627 1223117911 /nfs/dbraw/zinc/11/79/11/1223117911.db2.gz OXLAKWPQEWEURA-JTDSTZFVSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@]1(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC[NH2+]C1 ZINC001159167159 1223119842 /nfs/dbraw/zinc/11/98/42/1223119842.db2.gz VKZNUTDPZXFTQB-LXZJYRNTSA-N 2 1 372.517 0.979 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001159411411 1223126492 /nfs/dbraw/zinc/12/64/92/1223126492.db2.gz BKAWVWGAFYFRFD-QZTJIDSGSA-N 2 1 358.486 0.865 20 0 FCADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159573841 1223129960 /nfs/dbraw/zinc/12/99/60/1223129960.db2.gz JGSWWUMRAZKGSV-OAHLLOKOSA-N 2 1 373.505 0.284 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665244 1223132799 /nfs/dbraw/zinc/13/27/99/1223132799.db2.gz IGWYPTFIZJUDFS-KSZLIROESA-N 3 1 361.490 0.340 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663981 1223132918 /nfs/dbraw/zinc/13/29/18/1223132918.db2.gz BQIZCFDLZZSMRT-KZNAEPCWSA-N 2 1 360.458 0.262 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@]4(C)CCC[NH2+]4)C3)O2)CC1 ZINC001159758755 1223135756 /nfs/dbraw/zinc/13/57/56/1223135756.db2.gz SAUQMSSBJCJLCM-MISYRCLQSA-N 2 1 364.534 0.916 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CCCC[NH2+]4)C3)O2)CC1 ZINC001159758866 1223135779 /nfs/dbraw/zinc/13/57/79/1223135779.db2.gz SGLXVADHHAIFDI-WSTZPKSXSA-N 2 1 364.534 0.916 20 0 FCADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834565 1223137641 /nfs/dbraw/zinc/13/76/41/1223137641.db2.gz VONHCVVHGVBYTQ-BPUTZDHNSA-N 2 1 374.514 0.869 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855039 1223138340 /nfs/dbraw/zinc/13/83/40/1223138340.db2.gz GZGMGNWVXZJYQX-SJLPKXTDSA-N 2 1 362.449 0.395 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001159898025 1223139580 /nfs/dbraw/zinc/13/95/80/1223139580.db2.gz FVFNMIIAQIWOOM-HXUWFJFHSA-N 2 1 369.469 0.882 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001159898025 1223139582 /nfs/dbraw/zinc/13/95/82/1223139582.db2.gz FVFNMIIAQIWOOM-HXUWFJFHSA-N 2 1 369.469 0.882 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001160036203 1223143013 /nfs/dbraw/zinc/14/30/13/1223143013.db2.gz PURBNMCUXZZWDB-ROUUACIJSA-N 2 1 367.453 0.714 20 0 FCADMP N[C@@]1(C(=O)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCC[NH2+]C1 ZINC001160053542 1223143381 /nfs/dbraw/zinc/14/33/81/1223143381.db2.gz SCQZYHBGSPTRIY-FQEVSTJZSA-N 2 1 357.502 0.977 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160053857 1223143433 /nfs/dbraw/zinc/14/34/33/1223143433.db2.gz WCKILGSPSSTESB-GBESFXJTSA-N 2 1 369.513 0.846 20 0 FCADMP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157021 1223147263 /nfs/dbraw/zinc/14/72/63/1223147263.db2.gz SRRCNSYKFMAYQZ-GNBUJSLZSA-N 2 1 363.502 0.857 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414867 1223158327 /nfs/dbraw/zinc/15/83/27/1223158327.db2.gz FKRWYOAYDLMPAH-LJQANCHMSA-N 2 1 372.473 0.164 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001160458437 1223161047 /nfs/dbraw/zinc/16/10/47/1223161047.db2.gz LYHNPQDAIZVBMU-HKUYNNGSSA-N 2 1 358.486 0.912 20 0 FCADMP CCOC(=O)N1CCc2nnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)cc2C1 ZINC001160518983 1223163124 /nfs/dbraw/zinc/16/31/24/1223163124.db2.gz JZQOLSSHVMVJHE-SFHVURJKSA-N 2 1 360.462 0.826 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160709270 1223169303 /nfs/dbraw/zinc/16/93/03/1223169303.db2.gz DWBQUPDMWLJVLB-YSIASYRMSA-N 2 1 354.498 0.986 20 0 FCADMP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160839802 1223176563 /nfs/dbraw/zinc/17/65/63/1223176563.db2.gz RUAZGCLACORHBS-CABCVRRESA-N 2 1 362.453 0.673 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1 ZINC001160857061 1223178241 /nfs/dbraw/zinc/17/82/41/1223178241.db2.gz COTZWZOPGJMHPX-HLLBOEOZSA-N 2 1 362.474 0.829 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1 ZINC001160857061 1223178245 /nfs/dbraw/zinc/17/82/45/1223178245.db2.gz COTZWZOPGJMHPX-HLLBOEOZSA-N 2 1 362.474 0.829 20 0 FCADMP C[C@@]1(CC(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161196230 1223188587 /nfs/dbraw/zinc/18/85/87/1223188587.db2.gz AXZOPKJORNCUQN-FQEVSTJZSA-N 3 1 366.550 0.927 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196473 1223188613 /nfs/dbraw/zinc/18/86/13/1223188613.db2.gz JBXXPBJPXFZNCM-IEBWSBKVSA-N 3 1 366.550 0.783 20 0 FCADMP O=C(CC1CC[NH2+]CC1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196531 1223188618 /nfs/dbraw/zinc/18/86/18/1223188618.db2.gz LGIKIEBWHBYXDH-UHFFFAOYSA-N 3 1 366.550 0.927 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322260 1223195875 /nfs/dbraw/zinc/19/58/75/1223195875.db2.gz NOPXGHDBIUYTGP-QGPMSJSTSA-N 2 1 367.538 0.014 20 0 FCADMP [NH3+]C[C@@H](CO)c1ccc(Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc1 ZINC001163052966 1223225018 /nfs/dbraw/zinc/22/50/18/1223225018.db2.gz MVTQMGORPIRVLT-AWEZNQCLSA-N 2 1 370.457 0.695 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001163119824 1223226908 /nfs/dbraw/zinc/22/69/08/1223226908.db2.gz VXEWRODUCCHKTO-HNNXBMFYSA-N 2 1 362.478 0.509 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163306730 1223229190 /nfs/dbraw/zinc/22/91/90/1223229190.db2.gz SQQVNMSESSILRF-APWZRJJASA-N 2 1 359.474 0.792 20 0 FCADMP CN1CCN(c2cccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)CC1 ZINC001163653815 1223233307 /nfs/dbraw/zinc/23/33/07/1223233307.db2.gz LHHFMNPFTJVWLZ-INIZCTEOSA-N 2 1 359.474 0.661 20 0 FCADMP [NH3+]C1CCN(c2cccc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n2)CC1 ZINC001165342027 1223244792 /nfs/dbraw/zinc/24/47/92/1223244792.db2.gz SHKSLSUHOMRWHM-IBGZPJMESA-N 2 1 361.490 0.594 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165729098 1223255152 /nfs/dbraw/zinc/25/51/52/1223255152.db2.gz YYYBFZAGYMDOPR-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165729098 1223255154 /nfs/dbraw/zinc/25/51/54/1223255154.db2.gz YYYBFZAGYMDOPR-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205188782 1223315821 /nfs/dbraw/zinc/31/58/21/1223315821.db2.gz RBJMPJAKKULNOU-QXAKKESOSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205188782 1223315824 /nfs/dbraw/zinc/31/58/24/1223315824.db2.gz RBJMPJAKKULNOU-QXAKKESOSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205188782 1223315827 /nfs/dbraw/zinc/31/58/27/1223315827.db2.gz RBJMPJAKKULNOU-QXAKKESOSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205188782 1223315830 /nfs/dbraw/zinc/31/58/30/1223315830.db2.gz RBJMPJAKKULNOU-QXAKKESOSA-N 2 1 361.486 0.537 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001205339538 1223320454 /nfs/dbraw/zinc/32/04/54/1223320454.db2.gz HWJYHBJYPQCYSY-DLBZAZTESA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001205340335 1223320579 /nfs/dbraw/zinc/32/05/79/1223320579.db2.gz XAASUXZUUUMUBR-KBAYOESNSA-N 2 1 363.506 0.412 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205387848 1223321534 /nfs/dbraw/zinc/32/15/34/1223321534.db2.gz NCSQHAMIUPJWOH-BBWFWOEESA-N 2 1 362.449 0.550 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](CC(=O)NC)CC2)[C@H]2COC[C@H]21 ZINC001205513990 1223329690 /nfs/dbraw/zinc/32/96/90/1223329690.db2.gz WQOXWWGVXOATJI-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC2(CC[NH+]([C@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205519504 1223330242 /nfs/dbraw/zinc/33/02/42/1223330242.db2.gz QUPWBGNNDZLSLI-OWCLPIDISA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206980320 1223401080 /nfs/dbraw/zinc/40/10/80/1223401080.db2.gz VBWDFGZTXJJFHH-HYVNUMGLSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206980320 1223401083 /nfs/dbraw/zinc/40/10/83/1223401083.db2.gz VBWDFGZTXJJFHH-HYVNUMGLSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979219 1223401176 /nfs/dbraw/zinc/40/11/76/1223401176.db2.gz LCRIIPFVELVGCT-FHLIZLRMSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979219 1223401183 /nfs/dbraw/zinc/40/11/83/1223401183.db2.gz LCRIIPFVELVGCT-FHLIZLRMSA-N 2 1 362.518 0.681 20 0 FCADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396500 1223443757 /nfs/dbraw/zinc/44/37/57/1223443757.db2.gz JURAGCOHFZPQNF-UHFFFAOYSA-N 2 1 374.533 0.508 20 0 FCADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396500 1223443760 /nfs/dbraw/zinc/44/37/60/1223443760.db2.gz JURAGCOHFZPQNF-UHFFFAOYSA-N 2 1 374.533 0.508 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21)c1cnccn1 ZINC001207436646 1223446378 /nfs/dbraw/zinc/44/63/78/1223446378.db2.gz GJIKPQYNPPRPKY-XYJFISCASA-N 2 1 359.474 0.543 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001207538661 1223453771 /nfs/dbraw/zinc/45/37/71/1223453771.db2.gz SKQPXJVEYXVNHM-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001207538661 1223453774 /nfs/dbraw/zinc/45/37/74/1223453774.db2.gz SKQPXJVEYXVNHM-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001207538661 1223453778 /nfs/dbraw/zinc/45/37/78/1223453778.db2.gz SKQPXJVEYXVNHM-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616861 1223461751 /nfs/dbraw/zinc/46/17/51/1223461751.db2.gz HOWVPJRNZMOIKT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616861 1223461753 /nfs/dbraw/zinc/46/17/53/1223461753.db2.gz HOWVPJRNZMOIKT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207616861 1223461756 /nfs/dbraw/zinc/46/17/56/1223461756.db2.gz HOWVPJRNZMOIKT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207616861 1223461759 /nfs/dbraw/zinc/46/17/59/1223461759.db2.gz HOWVPJRNZMOIKT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750657 1223476452 /nfs/dbraw/zinc/47/64/52/1223476452.db2.gz VMOSJPYGZQAIAD-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750657 1223476455 /nfs/dbraw/zinc/47/64/55/1223476455.db2.gz VMOSJPYGZQAIAD-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750657 1223476457 /nfs/dbraw/zinc/47/64/57/1223476457.db2.gz VMOSJPYGZQAIAD-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750657 1223476460 /nfs/dbraw/zinc/47/64/60/1223476460.db2.gz VMOSJPYGZQAIAD-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001208107767 1223516501 /nfs/dbraw/zinc/51/65/01/1223516501.db2.gz SJRZALIJCBGLKQ-DJIMGWMZSA-N 2 1 359.474 0.638 20 0 FCADMP COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110912 1223516582 /nfs/dbraw/zinc/51/65/82/1223516582.db2.gz XWZYBKCAIKREFO-MRXNPFEDSA-N 2 1 363.506 0.809 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208115015 1223516591 /nfs/dbraw/zinc/51/65/91/1223516591.db2.gz XLXLYRUZBIBUGM-ZTFGCOKTSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208115015 1223516597 /nfs/dbraw/zinc/51/65/97/1223516597.db2.gz XLXLYRUZBIBUGM-ZTFGCOKTSA-N 2 1 362.518 0.824 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CCN(Cc3[nH+]cn4ccccc34)C2)OCC1=O ZINC001276559571 1223519292 /nfs/dbraw/zinc/51/92/92/1223519292.db2.gz DNIRYCXGCOHTMY-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000977944531 1248687061 /nfs/dbraw/zinc/68/70/61/1248687061.db2.gz PEECMTFVRGDJMI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000977944531 1248687072 /nfs/dbraw/zinc/68/70/72/1248687072.db2.gz PEECMTFVRGDJMI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)O1 ZINC000977944531 1248687083 /nfs/dbraw/zinc/68/70/83/1248687083.db2.gz PEECMTFVRGDJMI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)O1 ZINC000977944531 1248687090 /nfs/dbraw/zinc/68/70/90/1248687090.db2.gz PEECMTFVRGDJMI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001208410749 1223541282 /nfs/dbraw/zinc/54/12/82/1223541282.db2.gz DDWXMQVSIQLICG-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001208410749 1223541285 /nfs/dbraw/zinc/54/12/85/1223541285.db2.gz DDWXMQVSIQLICG-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435013 1223544965 /nfs/dbraw/zinc/54/49/65/1223544965.db2.gz NUFQBNFPEGZMGX-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435013 1223544970 /nfs/dbraw/zinc/54/49/70/1223544970.db2.gz NUFQBNFPEGZMGX-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441496 1223546042 /nfs/dbraw/zinc/54/60/42/1223546042.db2.gz IFDKAOREQHLCSP-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441496 1223546046 /nfs/dbraw/zinc/54/60/46/1223546046.db2.gz IFDKAOREQHLCSP-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208484890 1223550538 /nfs/dbraw/zinc/55/05/38/1223550538.db2.gz BZTZJCQQZYLPLS-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CC(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CC1 ZINC001208676084 1223568985 /nfs/dbraw/zinc/56/89/85/1223568985.db2.gz BTWVNSXEVPUZAH-QYZOEREBSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CC1 ZINC001208676084 1223568987 /nfs/dbraw/zinc/56/89/87/1223568987.db2.gz BTWVNSXEVPUZAH-QYZOEREBSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CC1 ZINC001208676084 1223568990 /nfs/dbraw/zinc/56/89/90/1223568990.db2.gz BTWVNSXEVPUZAH-QYZOEREBSA-N 2 1 360.506 0.931 20 0 FCADMP CC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CC1 ZINC001208676084 1223568992 /nfs/dbraw/zinc/56/89/92/1223568992.db2.gz BTWVNSXEVPUZAH-QYZOEREBSA-N 2 1 360.506 0.931 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2)C1 ZINC001276609987 1223593883 /nfs/dbraw/zinc/59/38/83/1223593883.db2.gz OHZYCDRLJQFBGS-QFBILLFUSA-N 2 1 369.506 0.641 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2)C1 ZINC001276609987 1223593888 /nfs/dbraw/zinc/59/38/88/1223593888.db2.gz OHZYCDRLJQFBGS-QFBILLFUSA-N 2 1 369.506 0.641 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149718 1223600692 /nfs/dbraw/zinc/60/06/92/1223600692.db2.gz CSKCXVYZHILCGO-CRAIPNDOSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210051765 1223663088 /nfs/dbraw/zinc/66/30/88/1223663088.db2.gz UGHNKIFTRKTPDN-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210051765 1223663090 /nfs/dbraw/zinc/66/30/90/1223663090.db2.gz UGHNKIFTRKTPDN-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210051765 1223663091 /nfs/dbraw/zinc/66/30/91/1223663091.db2.gz UGHNKIFTRKTPDN-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210051765 1223663093 /nfs/dbraw/zinc/66/30/93/1223663093.db2.gz UGHNKIFTRKTPDN-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210051765 1223663095 /nfs/dbraw/zinc/66/30/95/1223663095.db2.gz UGHNKIFTRKTPDN-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP COC(=O)c1cnc2n(-c3cc[nH+]c(N4CC[NH2+]CC4)c3)cnc(N)c1-2 ZINC001210263616 1223679109 /nfs/dbraw/zinc/67/91/09/1223679109.db2.gz CTUNNNWUEWTHCC-UHFFFAOYSA-N 2 1 353.386 0.546 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210477491 1223693504 /nfs/dbraw/zinc/69/35/04/1223693504.db2.gz UESWPWDBIZAODI-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210477491 1223693509 /nfs/dbraw/zinc/69/35/09/1223693509.db2.gz UESWPWDBIZAODI-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210477491 1223693512 /nfs/dbraw/zinc/69/35/12/1223693512.db2.gz UESWPWDBIZAODI-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210477491 1223693516 /nfs/dbraw/zinc/69/35/16/1223693516.db2.gz UESWPWDBIZAODI-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026155 1223719649 /nfs/dbraw/zinc/71/96/49/1223719649.db2.gz UFBRCPNCLSMDTQ-XOKHGSTOSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026155 1223719653 /nfs/dbraw/zinc/71/96/53/1223719653.db2.gz UFBRCPNCLSMDTQ-XOKHGSTOSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211026155 1223719655 /nfs/dbraw/zinc/71/96/55/1223719655.db2.gz UFBRCPNCLSMDTQ-XOKHGSTOSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211026155 1223719661 /nfs/dbraw/zinc/71/96/61/1223719661.db2.gz UFBRCPNCLSMDTQ-XOKHGSTOSA-N 2 1 362.518 0.679 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350739 1223736550 /nfs/dbraw/zinc/73/65/50/1223736550.db2.gz WIRZKYQSCBABIX-SJLPKXTDSA-N 2 1 368.522 0.452 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377009 1223792537 /nfs/dbraw/zinc/79/25/37/1223792537.db2.gz STCYQWMZURPKBR-CRAIPNDOSA-N 2 1 363.458 0.725 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377009 1223792540 /nfs/dbraw/zinc/79/25/40/1223792540.db2.gz STCYQWMZURPKBR-CRAIPNDOSA-N 2 1 363.458 0.725 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526317 1223809177 /nfs/dbraw/zinc/80/91/77/1223809177.db2.gz HMHVCQZBQQQVKQ-IAGOWNOFSA-N 2 1 366.506 0.060 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526317 1223809178 /nfs/dbraw/zinc/80/91/78/1223809178.db2.gz HMHVCQZBQQQVKQ-IAGOWNOFSA-N 2 1 366.506 0.060 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522571 1223809200 /nfs/dbraw/zinc/80/92/00/1223809200.db2.gz FDSNGQSFOWVTKL-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522571 1223809204 /nfs/dbraw/zinc/80/92/04/1223809204.db2.gz FDSNGQSFOWVTKL-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213576023 1223816119 /nfs/dbraw/zinc/81/61/19/1223816119.db2.gz FCPXZCBZQJQPBH-IAGOWNOFSA-N 2 1 360.462 0.721 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638587 1223826127 /nfs/dbraw/zinc/82/61/27/1223826127.db2.gz VVCVIRADIAQJGR-QZTJIDSGSA-N 2 1 371.522 0.729 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671838 1223830483 /nfs/dbraw/zinc/83/04/83/1223830483.db2.gz TUYMEWMFGYWURG-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671838 1223830484 /nfs/dbraw/zinc/83/04/84/1223830484.db2.gz TUYMEWMFGYWURG-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671838 1223830486 /nfs/dbraw/zinc/83/04/86/1223830486.db2.gz TUYMEWMFGYWURG-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671838 1223830487 /nfs/dbraw/zinc/83/04/87/1223830487.db2.gz TUYMEWMFGYWURG-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213746992 1223843268 /nfs/dbraw/zinc/84/32/68/1223843268.db2.gz ATIKHOMJZCNWDU-GVDBMIGSSA-N 2 1 370.538 0.789 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213746992 1223843270 /nfs/dbraw/zinc/84/32/70/1223843270.db2.gz ATIKHOMJZCNWDU-GVDBMIGSSA-N 2 1 370.538 0.789 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747756 1223843642 /nfs/dbraw/zinc/84/36/42/1223843642.db2.gz QALRRGZBOGXKAI-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747756 1223843643 /nfs/dbraw/zinc/84/36/43/1223843643.db2.gz QALRRGZBOGXKAI-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751707 1223844243 /nfs/dbraw/zinc/84/42/43/1223844243.db2.gz NBNKSQMFNLJATO-IAGOWNOFSA-N 2 1 364.490 0.433 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213764851 1223845973 /nfs/dbraw/zinc/84/59/73/1223845973.db2.gz GUTWTUQMUGBRBF-QZTJIDSGSA-N 2 1 365.522 0.993 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213764851 1223845975 /nfs/dbraw/zinc/84/59/75/1223845975.db2.gz GUTWTUQMUGBRBF-QZTJIDSGSA-N 2 1 365.522 0.993 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001213764851 1223845977 /nfs/dbraw/zinc/84/59/77/1223845977.db2.gz GUTWTUQMUGBRBF-QZTJIDSGSA-N 2 1 365.522 0.993 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914424 1223871462 /nfs/dbraw/zinc/87/14/62/1223871462.db2.gz FRQJXNBYKUGSFW-QZTJIDSGSA-N 2 1 363.506 0.654 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916933 1223871796 /nfs/dbraw/zinc/87/17/96/1223871796.db2.gz RTYVYEPYPOSHPE-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916933 1223871797 /nfs/dbraw/zinc/87/17/97/1223871797.db2.gz RTYVYEPYPOSHPE-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922117 1223872847 /nfs/dbraw/zinc/87/28/47/1223872847.db2.gz RVEYJJRWJBJTKD-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922117 1223872848 /nfs/dbraw/zinc/87/28/48/1223872848.db2.gz RVEYJJRWJBJTKD-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974060 1223879707 /nfs/dbraw/zinc/87/97/07/1223879707.db2.gz GJWQAEURUMCTOJ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974060 1223879710 /nfs/dbraw/zinc/87/97/10/1223879710.db2.gz GJWQAEURUMCTOJ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597728 1223924800 /nfs/dbraw/zinc/92/48/00/1223924800.db2.gz OIGRYTREZAPUMW-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665503 1223930868 /nfs/dbraw/zinc/93/08/68/1223930868.db2.gz DCYXPJIPOXYHKZ-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754734 1223938397 /nfs/dbraw/zinc/93/83/97/1223938397.db2.gz FMCSATRFMRWIQN-RBSFLKMASA-N 2 1 369.489 0.700 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C)n1C ZINC001214757636 1223939030 /nfs/dbraw/zinc/93/90/30/1223939030.db2.gz RYLIBUYYEQXXTE-RBSFLKMASA-N 2 1 368.501 0.994 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214853357 1223948705 /nfs/dbraw/zinc/94/87/05/1223948705.db2.gz YWXYIQZNKXKKIM-KZNAEPCWSA-N 2 1 365.522 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214860930 1223948825 /nfs/dbraw/zinc/94/88/25/1223948825.db2.gz BMBHKGHXMVRXSL-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)on1 ZINC001214861172 1223949034 /nfs/dbraw/zinc/94/90/34/1223949034.db2.gz KEPYSGHCCZWKPZ-IUODEOHRSA-N 2 1 363.462 0.842 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001214950667 1223958707 /nfs/dbraw/zinc/95/87/07/1223958707.db2.gz WINORHFIMABMET-RRCSTGOVSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001214950667 1223958711 /nfs/dbraw/zinc/95/87/11/1223958711.db2.gz WINORHFIMABMET-RRCSTGOVSA-N 2 1 365.478 0.466 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214968940 1223960211 /nfs/dbraw/zinc/96/02/11/1223960211.db2.gz FFVATLKABGTGEX-DJIMGWMZSA-N 2 1 362.474 0.817 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396820 1223996483 /nfs/dbraw/zinc/99/64/83/1223996483.db2.gz FBHOWPDHLTZKTB-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001215461079 1224000398 /nfs/dbraw/zinc/00/03/98/1224000398.db2.gz QTVRGCYWRKLJQE-RHSMWYFYSA-N 2 1 371.485 0.822 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1)[NH+]1CCCC1 ZINC001215598365 1224008090 /nfs/dbraw/zinc/00/80/90/1224008090.db2.gz AHOJURSKYXTDEO-BFYDXBDKSA-N 2 1 364.494 0.253 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490379 1224053018 /nfs/dbraw/zinc/05/30/18/1224053018.db2.gz ALMAJDCFVBRAQC-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001216752412 1224068512 /nfs/dbraw/zinc/06/85/12/1224068512.db2.gz NXSDAMSWVQMCDR-HLLBOEOZSA-N 2 1 362.474 0.626 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801406 1224073629 /nfs/dbraw/zinc/07/36/29/1224073629.db2.gz MOTRGPBYELDADQ-DJIMGWMZSA-N 2 1 368.522 0.448 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801406 1224073631 /nfs/dbraw/zinc/07/36/31/1224073631.db2.gz MOTRGPBYELDADQ-DJIMGWMZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001216845133 1224078464 /nfs/dbraw/zinc/07/84/64/1224078464.db2.gz YTAQOODYPNBCPV-KFWWJZLASA-N 2 1 363.462 0.924 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216853514 1224079189 /nfs/dbraw/zinc/07/91/89/1224079189.db2.gz FCSKXOSDZRORQM-UMVBOHGHSA-N 2 1 367.494 0.140 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC000978319978 1248728604 /nfs/dbraw/zinc/72/86/04/1248728604.db2.gz KIAPFGFYJSEOJF-FXXCCUJSSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC000978319978 1248728613 /nfs/dbraw/zinc/72/86/13/1248728613.db2.gz KIAPFGFYJSEOJF-FXXCCUJSSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC000978319978 1248728621 /nfs/dbraw/zinc/72/86/21/1248728621.db2.gz KIAPFGFYJSEOJF-FXXCCUJSSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC000978319978 1248728628 /nfs/dbraw/zinc/72/86/28/1248728628.db2.gz KIAPFGFYJSEOJF-FXXCCUJSSA-N 2 1 359.474 0.298 20 0 FCADMP CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495840 1248943398 /nfs/dbraw/zinc/94/33/98/1248943398.db2.gz KXWOXIYSKQWWJI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495840 1248943402 /nfs/dbraw/zinc/94/34/02/1248943402.db2.gz KXWOXIYSKQWWJI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495840 1248943406 /nfs/dbraw/zinc/94/34/06/1248943406.db2.gz KXWOXIYSKQWWJI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495840 1248943408 /nfs/dbraw/zinc/94/34/08/1248943408.db2.gz KXWOXIYSKQWWJI-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCc3cnn(C)c3)CC2)O1 ZINC000985496869 1248946700 /nfs/dbraw/zinc/94/67/00/1248946700.db2.gz RGZXXINVEQHZPS-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCc3cnn(C)c3)CC2)O1 ZINC000985496869 1248946715 /nfs/dbraw/zinc/94/67/15/1248946715.db2.gz RGZXXINVEQHZPS-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CCc3cnn(C)c3)CC2)O1 ZINC000985496869 1248946731 /nfs/dbraw/zinc/94/67/31/1248946731.db2.gz RGZXXINVEQHZPS-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CCc3cnn(C)c3)CC2)O1 ZINC000985496869 1248946747 /nfs/dbraw/zinc/94/67/47/1248946747.db2.gz RGZXXINVEQHZPS-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000988014157 1249293057 /nfs/dbraw/zinc/29/30/57/1249293057.db2.gz QUMIPJUDFFOHTI-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000988014157 1249293070 /nfs/dbraw/zinc/29/30/70/1249293070.db2.gz QUMIPJUDFFOHTI-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000988038381 1249307898 /nfs/dbraw/zinc/30/78/98/1249307898.db2.gz XDVBOIRYKIKJEO-SOLBZPMBSA-N 2 1 364.534 0.975 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000891537626 1245452910 /nfs/dbraw/zinc/45/29/10/1245452910.db2.gz MABOLPGEMZIRLY-IBGZPJMESA-N 2 1 365.522 0.714 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C1 ZINC000891531287 1245453021 /nfs/dbraw/zinc/45/30/21/1245453021.db2.gz ZYADSCWAXSKWBJ-SQNIBIBYSA-N 2 1 371.485 0.640 20 0 FCADMP COCCC1(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000891560399 1245455081 /nfs/dbraw/zinc/45/50/81/1245455081.db2.gz MIFRPYWQMUFQNL-INIZCTEOSA-N 2 1 367.538 0.613 20 0 FCADMP COCCC1(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000891560399 1245455082 /nfs/dbraw/zinc/45/50/82/1245455082.db2.gz MIFRPYWQMUFQNL-INIZCTEOSA-N 2 1 367.538 0.613 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000891930362 1245459260 /nfs/dbraw/zinc/45/92/60/1245459260.db2.gz WGMUUPXUUUWBCA-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504230 1245502275 /nfs/dbraw/zinc/50/22/75/1245502275.db2.gz VPALWRPWDFEODL-INIZCTEOSA-N 2 1 359.474 0.502 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475663 1245558379 /nfs/dbraw/zinc/55/83/79/1245558379.db2.gz CNRYOLOHPBJKSA-ROUUACIJSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475663 1245558386 /nfs/dbraw/zinc/55/83/86/1245558386.db2.gz CNRYOLOHPBJKSA-ROUUACIJSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475663 1245558392 /nfs/dbraw/zinc/55/83/92/1245558392.db2.gz CNRYOLOHPBJKSA-ROUUACIJSA-N 2 1 373.501 0.887 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000922340770 1245669226 /nfs/dbraw/zinc/66/92/26/1245669226.db2.gz HBVNEEBHJLVAPR-GOSISDBHSA-N 2 1 364.534 0.775 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000922342413 1245671901 /nfs/dbraw/zinc/67/19/01/1245671901.db2.gz ZVWBJIVFSVOFRF-QRVBRYPASA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000922342413 1245671907 /nfs/dbraw/zinc/67/19/07/1245671907.db2.gz ZVWBJIVFSVOFRF-QRVBRYPASA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000922342413 1245671917 /nfs/dbraw/zinc/67/19/17/1245671917.db2.gz ZVWBJIVFSVOFRF-QRVBRYPASA-N 2 1 364.534 0.916 20 0 FCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000923485761 1245724849 /nfs/dbraw/zinc/72/48/49/1245724849.db2.gz LFZFFZQAWMCIML-KRWDZBQOSA-N 2 1 374.485 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000938878235 1245944100 /nfs/dbraw/zinc/94/41/00/1245944100.db2.gz GQLAPDRRIGPSSC-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000938878235 1245944106 /nfs/dbraw/zinc/94/41/06/1245944106.db2.gz GQLAPDRRIGPSSC-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000940409845 1246305207 /nfs/dbraw/zinc/30/52/07/1246305207.db2.gz LVDHWZZXVKTBEY-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000940409845 1246305210 /nfs/dbraw/zinc/30/52/10/1246305210.db2.gz LVDHWZZXVKTBEY-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000940771340 1246381905 /nfs/dbraw/zinc/38/19/05/1246381905.db2.gz HUMSSLHZHMQHMV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000940771340 1246381910 /nfs/dbraw/zinc/38/19/10/1246381910.db2.gz HUMSSLHZHMQHMV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@H]4CCOC4)C3)CC2)CC[N@H+]1C ZINC000941412482 1246607589 /nfs/dbraw/zinc/60/75/89/1246607589.db2.gz HDFUQHGUAWLECR-ZIFCJYIRSA-N 2 1 364.534 0.582 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943068850 1247255324 /nfs/dbraw/zinc/25/53/24/1247255324.db2.gz JPQXTAYPGFXLET-USXIJHARSA-N 2 1 371.441 0.242 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300527 1247290904 /nfs/dbraw/zinc/29/09/04/1247290904.db2.gz FIQYUMBZCHMVKH-HZPDHXFCSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300527 1247290911 /nfs/dbraw/zinc/29/09/11/1247290911.db2.gz FIQYUMBZCHMVKH-HZPDHXFCSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943592040 1247363035 /nfs/dbraw/zinc/36/30/35/1247363035.db2.gz ULVGBOIYPBOANC-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000944086627 1247467771 /nfs/dbraw/zinc/46/77/71/1247467771.db2.gz NJNWMHKNORQZQW-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000944086627 1247467778 /nfs/dbraw/zinc/46/77/78/1247467778.db2.gz NJNWMHKNORQZQW-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)O1 ZINC000944086627 1247467782 /nfs/dbraw/zinc/46/77/82/1247467782.db2.gz NJNWMHKNORQZQW-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)O1 ZINC000944086627 1247467788 /nfs/dbraw/zinc/46/77/88/1247467788.db2.gz NJNWMHKNORQZQW-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944266643 1247513212 /nfs/dbraw/zinc/51/32/12/1247513212.db2.gz NEKUTEQCDRCXRY-QBPKDAKJSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944266643 1247513219 /nfs/dbraw/zinc/51/32/19/1247513219.db2.gz NEKUTEQCDRCXRY-QBPKDAKJSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)CC[N@H+]1C ZINC000944615169 1247577044 /nfs/dbraw/zinc/57/70/44/1247577044.db2.gz GHRJTBUBCZFJKO-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)CC[N@H+]1C ZINC000944616438 1247581138 /nfs/dbraw/zinc/58/11/38/1247581138.db2.gz ODLXXLUQJXGVDM-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001327813981 1265433079 /nfs/dbraw/zinc/43/30/79/1265433079.db2.gz UDXYYROZMHMNOP-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001327813981 1265433083 /nfs/dbraw/zinc/43/30/83/1265433083.db2.gz UDXYYROZMHMNOP-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4nnnn4C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946594963 1247907631 /nfs/dbraw/zinc/90/76/31/1247907631.db2.gz BSGKMDLLNDRLRE-LVQVYYBASA-N 2 1 361.494 0.221 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4nnnn4C)C[C@H]3CC2)CC[N@H+]1C ZINC000946594963 1247907650 /nfs/dbraw/zinc/90/76/50/1247907650.db2.gz BSGKMDLLNDRLRE-LVQVYYBASA-N 2 1 361.494 0.221 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4nnnn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946594963 1247907660 /nfs/dbraw/zinc/90/76/60/1247907660.db2.gz BSGKMDLLNDRLRE-LVQVYYBASA-N 2 1 361.494 0.221 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4nnnn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946594963 1247907677 /nfs/dbraw/zinc/90/76/77/1247907677.db2.gz BSGKMDLLNDRLRE-LVQVYYBASA-N 2 1 361.494 0.221 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946909342 1248071689 /nfs/dbraw/zinc/07/16/89/1248071689.db2.gz QBDMZPRJEAMDPZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946909342 1248071697 /nfs/dbraw/zinc/07/16/97/1248071697.db2.gz QBDMZPRJEAMDPZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000946909342 1248071704 /nfs/dbraw/zinc/07/17/04/1248071704.db2.gz QBDMZPRJEAMDPZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000946909342 1248071710 /nfs/dbraw/zinc/07/17/10/1248071710.db2.gz QBDMZPRJEAMDPZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946928163 1248083165 /nfs/dbraw/zinc/08/31/65/1248083165.db2.gz VWNOGVSFDQUSDP-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946928163 1248083176 /nfs/dbraw/zinc/08/31/76/1248083176.db2.gz VWNOGVSFDQUSDP-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000946928163 1248083184 /nfs/dbraw/zinc/08/31/84/1248083184.db2.gz VWNOGVSFDQUSDP-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000946928163 1248083200 /nfs/dbraw/zinc/08/32/00/1248083200.db2.gz VWNOGVSFDQUSDP-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH3+])CC1 ZINC001327960072 1265461906 /nfs/dbraw/zinc/46/19/06/1265461906.db2.gz AIZQHDHPUCTSMG-UHFFFAOYSA-N 2 1 362.474 0.331 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335723 1250385063 /nfs/dbraw/zinc/38/50/63/1250385063.db2.gz NOSIYHNOMTXETM-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001515328248 1265505572 /nfs/dbraw/zinc/50/55/72/1265505572.db2.gz VEGFETFTCNXWOS-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001515328248 1265505578 /nfs/dbraw/zinc/50/55/78/1265505578.db2.gz VEGFETFTCNXWOS-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001515328248 1265505583 /nfs/dbraw/zinc/50/55/83/1265505583.db2.gz VEGFETFTCNXWOS-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001515328248 1265505588 /nfs/dbraw/zinc/50/55/88/1265505588.db2.gz VEGFETFTCNXWOS-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995957052 1251091346 /nfs/dbraw/zinc/09/13/46/1251091346.db2.gz JJWXXSMTESGSPF-KBRIMQKVSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995957052 1251091354 /nfs/dbraw/zinc/09/13/54/1251091354.db2.gz JJWXXSMTESGSPF-KBRIMQKVSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)O1 ZINC000995956217 1251091636 /nfs/dbraw/zinc/09/16/36/1251091636.db2.gz HEIXYXUAVMLCAU-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)O1 ZINC000995956217 1251091642 /nfs/dbraw/zinc/09/16/42/1251091642.db2.gz HEIXYXUAVMLCAU-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000996572218 1251391414 /nfs/dbraw/zinc/39/14/14/1251391414.db2.gz LCTKORIGFUWOOK-BDXSIMOUSA-N 2 1 371.485 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000996577064 1251394604 /nfs/dbraw/zinc/39/46/04/1251394604.db2.gz UHXDQSINWZWTFF-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000996577064 1251394611 /nfs/dbraw/zinc/39/46/11/1251394611.db2.gz UHXDQSINWZWTFF-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@H+]1C ZINC000996607376 1251404022 /nfs/dbraw/zinc/40/40/22/1251404022.db2.gz NUWCLVZKLMZFAV-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP COc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996714326 1251422343 /nfs/dbraw/zinc/42/23/43/1251422343.db2.gz AXJCMXJHMVEUFU-CZUORRHYSA-N 2 1 363.462 0.285 20 0 FCADMP COc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996714326 1251422348 /nfs/dbraw/zinc/42/23/48/1251422348.db2.gz AXJCMXJHMVEUFU-CZUORRHYSA-N 2 1 363.462 0.285 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997170693 1251502308 /nfs/dbraw/zinc/50/23/08/1251502308.db2.gz MVKJSYCYWODGQO-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997170693 1251502320 /nfs/dbraw/zinc/50/23/20/1251502320.db2.gz MVKJSYCYWODGQO-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001328732716 1265604352 /nfs/dbraw/zinc/60/43/52/1265604352.db2.gz MBDUBTNJYZELLN-FUHWJXTLSA-N 2 1 360.502 0.987 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000998467114 1251890551 /nfs/dbraw/zinc/89/05/51/1251890551.db2.gz SJSWIAIAXCDGGE-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000998467114 1251890563 /nfs/dbraw/zinc/89/05/63/1251890563.db2.gz SJSWIAIAXCDGGE-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000998467114 1251890572 /nfs/dbraw/zinc/89/05/72/1251890572.db2.gz SJSWIAIAXCDGGE-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000998668996 1251946752 /nfs/dbraw/zinc/94/67/52/1251946752.db2.gz NQWNHLWBINCIFR-KPEUIFRASA-N 2 1 371.485 0.961 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC000999191320 1252068913 /nfs/dbraw/zinc/06/89/13/1252068913.db2.gz XKUZXUYIZZQQGQ-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC000999191320 1252068920 /nfs/dbraw/zinc/06/89/20/1252068920.db2.gz XKUZXUYIZZQQGQ-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999494228 1252127417 /nfs/dbraw/zinc/12/74/17/1252127417.db2.gz IIDLQYYSHQFZRS-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999494228 1252127423 /nfs/dbraw/zinc/12/74/23/1252127423.db2.gz IIDLQYYSHQFZRS-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CC4CC4)C3)nn2)O1 ZINC000999993672 1252265043 /nfs/dbraw/zinc/26/50/43/1252265043.db2.gz UEOORADGLDPBTQ-XOKHGSTOSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CC4CC4)C3)nn2)O1 ZINC000999993672 1252265052 /nfs/dbraw/zinc/26/50/52/1252265052.db2.gz UEOORADGLDPBTQ-XOKHGSTOSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CC4CC4)C3)nn2)O1 ZINC000999993672 1252265060 /nfs/dbraw/zinc/26/50/60/1252265060.db2.gz UEOORADGLDPBTQ-XOKHGSTOSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CC4CC4)C3)nn2)O1 ZINC000999993672 1252265063 /nfs/dbraw/zinc/26/50/63/1252265063.db2.gz UEOORADGLDPBTQ-XOKHGSTOSA-N 2 1 362.478 0.270 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000184963 1252271056 /nfs/dbraw/zinc/27/10/56/1252271056.db2.gz DOXYBDDTJQIHNI-VNQPRFMTSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000184963 1252271065 /nfs/dbraw/zinc/27/10/65/1252271065.db2.gz DOXYBDDTJQIHNI-VNQPRFMTSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001002709052 1252650888 /nfs/dbraw/zinc/65/08/88/1252650888.db2.gz NAWCPQLPHCGPPJ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC001002839523 1252699523 /nfs/dbraw/zinc/69/95/23/1252699523.db2.gz JXXSYYUVPICACT-ZACQAIPSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC001002839523 1252699530 /nfs/dbraw/zinc/69/95/30/1252699530.db2.gz JXXSYYUVPICACT-ZACQAIPSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001002947496 1252747142 /nfs/dbraw/zinc/74/71/42/1252747142.db2.gz HFZHSSIGVNDYAK-TVFCKZIOSA-N 2 1 371.485 0.781 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001003193104 1252802818 /nfs/dbraw/zinc/80/28/18/1252802818.db2.gz HIYBNSIQIAOXCJ-NCOADZHNSA-N 2 1 364.490 0.051 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001003193104 1252802823 /nfs/dbraw/zinc/80/28/23/1252802823.db2.gz HIYBNSIQIAOXCJ-NCOADZHNSA-N 2 1 364.490 0.051 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001003793355 1253110640 /nfs/dbraw/zinc/11/06/40/1253110640.db2.gz NBOVWLGTSKVMQQ-OIISXLGYSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001003793355 1253110647 /nfs/dbraw/zinc/11/06/47/1253110647.db2.gz NBOVWLGTSKVMQQ-OIISXLGYSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001003793355 1253110653 /nfs/dbraw/zinc/11/06/53/1253110653.db2.gz NBOVWLGTSKVMQQ-OIISXLGYSA-N 2 1 366.506 0.010 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001004211362 1253247650 /nfs/dbraw/zinc/24/76/50/1253247650.db2.gz PCAJUYHABAOCMJ-HHARLNAUSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001004211362 1253247659 /nfs/dbraw/zinc/24/76/59/1253247659.db2.gz PCAJUYHABAOCMJ-HHARLNAUSA-N 2 1 359.474 0.780 20 0 FCADMP O=C(CCc1cnc[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004394064 1253311742 /nfs/dbraw/zinc/31/17/42/1253311742.db2.gz GDSIMDFYXSNHAR-OAGGEKHMSA-N 2 1 357.458 0.686 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001022174342 1253798673 /nfs/dbraw/zinc/79/86/73/1253798673.db2.gz DFSRZTKKVMNEKT-LZLYRXPVSA-N 2 1 361.490 0.837 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001022173704 1253799649 /nfs/dbraw/zinc/79/96/49/1253799649.db2.gz MGEUBFMWTUXWJY-DLBZAZTESA-N 2 1 371.485 0.879 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917253 1253848133 /nfs/dbraw/zinc/84/81/33/1253848133.db2.gz YKARFXVXCWFZPX-VNQPRFMTSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917253 1253848136 /nfs/dbraw/zinc/84/81/36/1253848136.db2.gz YKARFXVXCWFZPX-VNQPRFMTSA-N 2 1 364.494 0.264 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917132 1253848319 /nfs/dbraw/zinc/84/83/19/1253848319.db2.gz WTTUBQBAYATRQE-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917132 1253848324 /nfs/dbraw/zinc/84/83/24/1253848324.db2.gz WTTUBQBAYATRQE-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCc3ccnn3C)C2)O1 ZINC001027464099 1253854230 /nfs/dbraw/zinc/85/42/30/1253854230.db2.gz JQSRIGGCPHMHOW-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCc3ccnn3C)C2)O1 ZINC001027464099 1253854240 /nfs/dbraw/zinc/85/42/40/1253854240.db2.gz JQSRIGGCPHMHOW-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccnn3C)C2)O1 ZINC001027464099 1253854249 /nfs/dbraw/zinc/85/42/49/1253854249.db2.gz JQSRIGGCPHMHOW-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccnn3C)C2)O1 ZINC001027464099 1253854264 /nfs/dbraw/zinc/85/42/64/1253854264.db2.gz JQSRIGGCPHMHOW-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588904 1253865233 /nfs/dbraw/zinc/86/52/33/1253865233.db2.gz MWSTYWBSFLMCCE-KURKYZTESA-N 2 1 358.486 0.740 20 0 FCADMP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588904 1253865240 /nfs/dbraw/zinc/86/52/40/1253865240.db2.gz MWSTYWBSFLMCCE-KURKYZTESA-N 2 1 358.486 0.740 20 0 FCADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588904 1253865250 /nfs/dbraw/zinc/86/52/50/1253865250.db2.gz MWSTYWBSFLMCCE-KURKYZTESA-N 2 1 358.486 0.740 20 0 FCADMP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588904 1253865255 /nfs/dbraw/zinc/86/52/55/1253865255.db2.gz MWSTYWBSFLMCCE-KURKYZTESA-N 2 1 358.486 0.740 20 0 FCADMP Cc1nccnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767809 1253875975 /nfs/dbraw/zinc/87/59/75/1253875975.db2.gz KOOYEFANCNQRKL-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1nccnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767809 1253875984 /nfs/dbraw/zinc/87/59/84/1253875984.db2.gz KOOYEFANCNQRKL-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1nccnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767809 1253875992 /nfs/dbraw/zinc/87/59/92/1253875992.db2.gz KOOYEFANCNQRKL-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1nccnc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767809 1253875999 /nfs/dbraw/zinc/87/59/99/1253875999.db2.gz KOOYEFANCNQRKL-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329570535 1265784381 /nfs/dbraw/zinc/78/43/81/1265784381.db2.gz RTMOSYOBGXZDQC-DLBZAZTESA-N 2 1 374.489 0.718 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180774 1253949297 /nfs/dbraw/zinc/94/92/97/1253949297.db2.gz CGASFDJVAIHRTH-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180774 1253949302 /nfs/dbraw/zinc/94/93/02/1253949302.db2.gz CGASFDJVAIHRTH-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180774 1253949309 /nfs/dbraw/zinc/94/93/09/1253949309.db2.gz CGASFDJVAIHRTH-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180774 1253949315 /nfs/dbraw/zinc/94/93/15/1253949315.db2.gz CGASFDJVAIHRTH-DJIMGWMZSA-N 2 1 362.474 0.137 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034675156 1254000773 /nfs/dbraw/zinc/00/07/73/1254000773.db2.gz ODTDCNIYAMZAKF-BNEJOLLZSA-N 2 1 363.506 0.965 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034675156 1254000777 /nfs/dbraw/zinc/00/07/77/1254000777.db2.gz ODTDCNIYAMZAKF-BNEJOLLZSA-N 2 1 363.506 0.965 20 0 FCADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001034676491 1254001829 /nfs/dbraw/zinc/00/18/29/1254001829.db2.gz ZZPPQVOOLSRGRC-YIDVYQOGSA-N 2 1 364.494 0.612 20 0 FCADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001034676491 1254001840 /nfs/dbraw/zinc/00/18/40/1254001840.db2.gz ZZPPQVOOLSRGRC-YIDVYQOGSA-N 2 1 364.494 0.612 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+][C@@H]3CCNC3=O)cc2)O1 ZINC001034821033 1254008066 /nfs/dbraw/zinc/00/80/66/1254008066.db2.gz OLLSRTKHFYPGCB-KBRIMQKVSA-N 2 1 360.458 0.000 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+][C@@H]3CCNC3=O)cc2)O1 ZINC001034821033 1254008077 /nfs/dbraw/zinc/00/80/77/1254008077.db2.gz OLLSRTKHFYPGCB-KBRIMQKVSA-N 2 1 360.458 0.000 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4nncn4C)C3)CC2)CC[N@@H+]1C ZINC001035187492 1254018999 /nfs/dbraw/zinc/01/89/99/1254018999.db2.gz YCQXTVFTPDKQIN-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4nncn4C)C3)CC2)CC[N@H+]1C ZINC001035187492 1254019008 /nfs/dbraw/zinc/01/90/08/1254019008.db2.gz YCQXTVFTPDKQIN-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](Cc4nncn4C)C3)CC2)CC[NH+]1C ZINC001035187492 1254019014 /nfs/dbraw/zinc/01/90/14/1254019014.db2.gz YCQXTVFTPDKQIN-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4nncn4C)C3)CC2)CC[NH+]1C ZINC001035187492 1254019019 /nfs/dbraw/zinc/01/90/19/1254019019.db2.gz YCQXTVFTPDKQIN-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001519902860 1265797127 /nfs/dbraw/zinc/79/71/27/1265797127.db2.gz VJUQWUVTCSXBQA-NVXWUHKLSA-N 2 1 355.527 0.373 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1C ZINC001058251045 1254099522 /nfs/dbraw/zinc/09/95/22/1254099522.db2.gz SRMWRANYFWTDBN-GVDBMIGSSA-N 2 1 370.538 0.240 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062262705 1254254169 /nfs/dbraw/zinc/25/41/69/1254254169.db2.gz FEDSSFAERAILLJ-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062262705 1254254177 /nfs/dbraw/zinc/25/41/77/1254254177.db2.gz FEDSSFAERAILLJ-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062262705 1254254186 /nfs/dbraw/zinc/25/41/86/1254254186.db2.gz FEDSSFAERAILLJ-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062262705 1254254194 /nfs/dbraw/zinc/25/41/94/1254254194.db2.gz FEDSSFAERAILLJ-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC2)CC[N@H+]1C ZINC001063152963 1254306410 /nfs/dbraw/zinc/30/64/10/1254306410.db2.gz RFOMHTZZGQKLMJ-DJIMGWMZSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@@H+]1C ZINC001063224724 1254318091 /nfs/dbraw/zinc/31/80/91/1254318091.db2.gz SRGINLPHOSSMNT-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@H+]1C ZINC001063224724 1254318099 /nfs/dbraw/zinc/31/80/99/1254318099.db2.gz SRGINLPHOSSMNT-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063224724 1254318106 /nfs/dbraw/zinc/31/81/06/1254318106.db2.gz SRGINLPHOSSMNT-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063224724 1254318115 /nfs/dbraw/zinc/31/81/15/1254318115.db2.gz SRGINLPHOSSMNT-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC2)O1 ZINC001063496640 1254353763 /nfs/dbraw/zinc/35/37/63/1254353763.db2.gz CPMOVJZWLFVZRA-OWCLPIDISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC2)O1 ZINC001063496640 1254353771 /nfs/dbraw/zinc/35/37/71/1254353771.db2.gz CPMOVJZWLFVZRA-OWCLPIDISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC2)O1 ZINC001063496640 1254353783 /nfs/dbraw/zinc/35/37/83/1254353783.db2.gz CPMOVJZWLFVZRA-OWCLPIDISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC2)O1 ZINC001063496640 1254353798 /nfs/dbraw/zinc/35/37/98/1254353798.db2.gz CPMOVJZWLFVZRA-OWCLPIDISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C3CC[NH+](C)CC3)CCC2)O1 ZINC001063517439 1254356084 /nfs/dbraw/zinc/35/60/84/1254356084.db2.gz FLKPNSDARIRCFE-GDBMZVCRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C3CC[NH+](C)CC3)CCC2)O1 ZINC001063517439 1254356090 /nfs/dbraw/zinc/35/60/90/1254356090.db2.gz FLKPNSDARIRCFE-GDBMZVCRSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063848390 1254394882 /nfs/dbraw/zinc/39/48/82/1254394882.db2.gz PXNKOUYUWRQZTQ-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063848390 1254394892 /nfs/dbraw/zinc/39/48/92/1254394892.db2.gz PXNKOUYUWRQZTQ-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063848390 1254394903 /nfs/dbraw/zinc/39/49/03/1254394903.db2.gz PXNKOUYUWRQZTQ-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063848390 1254394912 /nfs/dbraw/zinc/39/49/12/1254394912.db2.gz PXNKOUYUWRQZTQ-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001065212624 1254493642 /nfs/dbraw/zinc/49/36/42/1254493642.db2.gz RCQBBMPOMXSIOJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001065212624 1254493647 /nfs/dbraw/zinc/49/36/47/1254493647.db2.gz RCQBBMPOMXSIOJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001065212624 1254493649 /nfs/dbraw/zinc/49/36/49/1254493649.db2.gz RCQBBMPOMXSIOJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)CC)CCO2)CC[N@H+]1C ZINC001065613751 1254548567 /nfs/dbraw/zinc/54/85/67/1254548567.db2.gz CEGYEORGWCCLIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CCO2)CC[NH+]1C ZINC001065613751 1254548573 /nfs/dbraw/zinc/54/85/73/1254548573.db2.gz CEGYEORGWCCLIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CCO2)CC[NH+]1C ZINC001065613751 1254548586 /nfs/dbraw/zinc/54/85/86/1254548586.db2.gz CEGYEORGWCCLIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1N1CC[NH+](C)CC1 ZINC001329947007 1265903388 /nfs/dbraw/zinc/90/33/88/1265903388.db2.gz AKCWCLZVMHQENU-QGZVFWFLSA-N 2 1 361.490 0.935 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC001077571040 1254709345 /nfs/dbraw/zinc/70/93/45/1254709345.db2.gz GMCLGAIQAWYCAW-DZJNRPSUSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC001077571040 1254709365 /nfs/dbraw/zinc/70/93/65/1254709365.db2.gz GMCLGAIQAWYCAW-DZJNRPSUSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)n1 ZINC001077571040 1254709376 /nfs/dbraw/zinc/70/93/76/1254709376.db2.gz GMCLGAIQAWYCAW-DZJNRPSUSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)n1 ZINC001077571040 1254709388 /nfs/dbraw/zinc/70/93/88/1254709388.db2.gz GMCLGAIQAWYCAW-DZJNRPSUSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078008646 1255163619 /nfs/dbraw/zinc/16/36/19/1255163619.db2.gz ONYZHIAJAQONOS-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078008646 1255163628 /nfs/dbraw/zinc/16/36/28/1255163628.db2.gz ONYZHIAJAQONOS-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078008646 1255163631 /nfs/dbraw/zinc/16/36/31/1255163631.db2.gz ONYZHIAJAQONOS-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078008484 1255164476 /nfs/dbraw/zinc/16/44/76/1255164476.db2.gz HJQRZVZERMKUFB-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008484 1255164480 /nfs/dbraw/zinc/16/44/80/1255164480.db2.gz HJQRZVZERMKUFB-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008484 1255164484 /nfs/dbraw/zinc/16/44/84/1255164484.db2.gz HJQRZVZERMKUFB-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174414 1255288245 /nfs/dbraw/zinc/28/82/45/1255288245.db2.gz KRGXWDDXCKVOCU-BHIYHBOVSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174414 1255288248 /nfs/dbraw/zinc/28/82/48/1255288248.db2.gz KRGXWDDXCKVOCU-BHIYHBOVSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174414 1255288256 /nfs/dbraw/zinc/28/82/56/1255288256.db2.gz KRGXWDDXCKVOCU-BHIYHBOVSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)c1 ZINC001078224264 1255335498 /nfs/dbraw/zinc/33/54/98/1255335498.db2.gz AXEBFRCTNYOUET-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)c1 ZINC001078224264 1255335505 /nfs/dbraw/zinc/33/55/05/1255335505.db2.gz AXEBFRCTNYOUET-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001079146744 1255459471 /nfs/dbraw/zinc/45/94/71/1255459471.db2.gz DXUWBAIEUJEVCC-QRVBRYPASA-N 2 1 361.486 0.801 20 0 FCADMP CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001079146744 1255459472 /nfs/dbraw/zinc/45/94/72/1255459472.db2.gz DXUWBAIEUJEVCC-QRVBRYPASA-N 2 1 361.486 0.801 20 0 FCADMP CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079146744 1255459477 /nfs/dbraw/zinc/45/94/77/1255459477.db2.gz DXUWBAIEUJEVCC-QRVBRYPASA-N 2 1 361.486 0.801 20 0 FCADMP CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079146744 1255459481 /nfs/dbraw/zinc/45/94/81/1255459481.db2.gz DXUWBAIEUJEVCC-QRVBRYPASA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)O1 ZINC001079189194 1255468653 /nfs/dbraw/zinc/46/86/53/1255468653.db2.gz HUMXPWMDTAKBPR-BVPBIZIASA-N 2 1 365.449 0.421 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)O1 ZINC001079189194 1255468655 /nfs/dbraw/zinc/46/86/55/1255468655.db2.gz HUMXPWMDTAKBPR-BVPBIZIASA-N 2 1 365.449 0.421 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717481 1255585484 /nfs/dbraw/zinc/58/54/84/1255585484.db2.gz KJGFKDIWILGFLJ-SOLBZPMBSA-N 2 1 363.506 0.921 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011813 1255706928 /nfs/dbraw/zinc/70/69/28/1255706928.db2.gz KFNYHCZWHSXSSU-LYRGGWFBSA-N 2 1 369.425 0.498 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011813 1255706934 /nfs/dbraw/zinc/70/69/34/1255706934.db2.gz KFNYHCZWHSXSSU-LYRGGWFBSA-N 2 1 369.425 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164658 1255767964 /nfs/dbraw/zinc/76/79/64/1255767964.db2.gz LTYBNGZBAMZGQV-LOFRJYDISA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164658 1255767971 /nfs/dbraw/zinc/76/79/71/1255767971.db2.gz LTYBNGZBAMZGQV-LOFRJYDISA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164658 1255767979 /nfs/dbraw/zinc/76/79/79/1255767979.db2.gz LTYBNGZBAMZGQV-LOFRJYDISA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164539 1255768781 /nfs/dbraw/zinc/76/87/81/1255768781.db2.gz HAQHHMUAOBILDZ-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164539 1255768792 /nfs/dbraw/zinc/76/87/92/1255768792.db2.gz HAQHHMUAOBILDZ-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164539 1255768802 /nfs/dbraw/zinc/76/88/02/1255768802.db2.gz HAQHHMUAOBILDZ-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164539 1255768811 /nfs/dbraw/zinc/76/88/11/1255768811.db2.gz HAQHHMUAOBILDZ-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164608 1255769108 /nfs/dbraw/zinc/76/91/08/1255769108.db2.gz JNDHZYWQLNUIAO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164608 1255769115 /nfs/dbraw/zinc/76/91/15/1255769115.db2.gz JNDHZYWQLNUIAO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164608 1255769121 /nfs/dbraw/zinc/76/91/21/1255769121.db2.gz JNDHZYWQLNUIAO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164608 1255769128 /nfs/dbraw/zinc/76/91/28/1255769128.db2.gz JNDHZYWQLNUIAO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559180 1255930532 /nfs/dbraw/zinc/93/05/32/1255930532.db2.gz YVBOHVPYWQHXCC-KBAYOESNSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554478 1255930580 /nfs/dbraw/zinc/93/05/80/1255930580.db2.gz RGJHEUSSCIICOC-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)CC1 ZINC001080699870 1255993269 /nfs/dbraw/zinc/99/32/69/1255993269.db2.gz AOVPFGKNINIXMF-NVXWUHKLSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787777 1256038001 /nfs/dbraw/zinc/03/80/01/1256038001.db2.gz RPASUOHEKGNFAH-NVXWUHKLSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787777 1256038011 /nfs/dbraw/zinc/03/80/11/1256038011.db2.gz RPASUOHEKGNFAH-NVXWUHKLSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787602 1256039096 /nfs/dbraw/zinc/03/90/96/1256039096.db2.gz JHICOICSPBVFCZ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787602 1256039102 /nfs/dbraw/zinc/03/91/02/1256039102.db2.gz JHICOICSPBVFCZ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935143 1256104205 /nfs/dbraw/zinc/10/42/05/1256104205.db2.gz LMGOWURBAQYZHW-XNRPHZJLSA-N 2 1 359.474 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935143 1256104209 /nfs/dbraw/zinc/10/42/09/1256104209.db2.gz LMGOWURBAQYZHW-XNRPHZJLSA-N 2 1 359.474 0.948 20 0 FCADMP C[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935143 1256104210 /nfs/dbraw/zinc/10/42/10/1256104210.db2.gz LMGOWURBAQYZHW-XNRPHZJLSA-N 2 1 359.474 0.948 20 0 FCADMP C[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935143 1256104215 /nfs/dbraw/zinc/10/42/15/1256104215.db2.gz LMGOWURBAQYZHW-XNRPHZJLSA-N 2 1 359.474 0.948 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226395 1256211129 /nfs/dbraw/zinc/21/11/29/1256211129.db2.gz AGQMAONXHKJNIG-FGTMMUONSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226395 1256211134 /nfs/dbraw/zinc/21/11/34/1256211134.db2.gz AGQMAONXHKJNIG-FGTMMUONSA-N 2 1 368.485 0.851 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081658949 1256322443 /nfs/dbraw/zinc/32/24/43/1256322443.db2.gz GZNBWPCWYVTJGH-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081658949 1256322450 /nfs/dbraw/zinc/32/24/50/1256322450.db2.gz GZNBWPCWYVTJGH-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081658949 1256322453 /nfs/dbraw/zinc/32/24/53/1256322453.db2.gz GZNBWPCWYVTJGH-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081658949 1256322457 /nfs/dbraw/zinc/32/24/57/1256322457.db2.gz GZNBWPCWYVTJGH-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691794 1256336202 /nfs/dbraw/zinc/33/62/02/1256336202.db2.gz QYCWEVGBZSLVNP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691794 1256336211 /nfs/dbraw/zinc/33/62/11/1256336211.db2.gz QYCWEVGBZSLVNP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691794 1256336217 /nfs/dbraw/zinc/33/62/17/1256336217.db2.gz QYCWEVGBZSLVNP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691794 1256336224 /nfs/dbraw/zinc/33/62/24/1256336224.db2.gz QYCWEVGBZSLVNP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894047 1256438011 /nfs/dbraw/zinc/43/80/11/1256438011.db2.gz JEJLXDDCYGWFDE-HZPDHXFCSA-N 2 1 364.490 0.053 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894047 1256438014 /nfs/dbraw/zinc/43/80/14/1256438014.db2.gz JEJLXDDCYGWFDE-HZPDHXFCSA-N 2 1 364.490 0.053 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135192 1256551846 /nfs/dbraw/zinc/55/18/46/1256551846.db2.gz SPIZQELLOCLXHU-NUEKZKHPSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135192 1256551851 /nfs/dbraw/zinc/55/18/51/1256551851.db2.gz SPIZQELLOCLXHU-NUEKZKHPSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135192 1256551856 /nfs/dbraw/zinc/55/18/56/1256551856.db2.gz SPIZQELLOCLXHU-NUEKZKHPSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135192 1256551862 /nfs/dbraw/zinc/55/18/62/1256551862.db2.gz SPIZQELLOCLXHU-NUEKZKHPSA-N 2 1 365.478 0.468 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082450026 1256766774 /nfs/dbraw/zinc/76/67/74/1256766774.db2.gz SKHQWWAMZHAKGE-BPLDGKMQSA-N 2 1 371.445 0.557 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082450026 1256766777 /nfs/dbraw/zinc/76/67/77/1256766777.db2.gz SKHQWWAMZHAKGE-BPLDGKMQSA-N 2 1 371.445 0.557 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082557610 1256853490 /nfs/dbraw/zinc/85/34/90/1256853490.db2.gz SRIMJSWIHWPHNR-ZIAGYGMSSA-N 2 1 362.478 0.229 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559735 1256857270 /nfs/dbraw/zinc/85/72/70/1256857270.db2.gz NTVMZQDDZAOSKQ-UNEWFSDZSA-N 2 1 363.510 0.750 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082653592 1256957169 /nfs/dbraw/zinc/95/71/69/1256957169.db2.gz SLJPDIFEYOKVIJ-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653489 1256958195 /nfs/dbraw/zinc/95/81/95/1256958195.db2.gz NAUGSZWNMZJQRN-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082681574 1256982548 /nfs/dbraw/zinc/98/25/48/1256982548.db2.gz BXGVLJWSIOHOJR-UKRRQHHQSA-N 2 1 361.494 0.819 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082703239 1256995297 /nfs/dbraw/zinc/99/52/97/1256995297.db2.gz GHYISRJZYIMWNA-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001082703239 1256995302 /nfs/dbraw/zinc/99/53/02/1256995302.db2.gz GHYISRJZYIMWNA-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082719544 1257009126 /nfs/dbraw/zinc/00/91/26/1257009126.db2.gz QYMFCLFPGXHMDV-UKRRQHHQSA-N 2 1 363.510 0.706 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082774573 1257045492 /nfs/dbraw/zinc/04/54/92/1257045492.db2.gz HKOXOGNJFSKTBF-HUUCEWRRSA-N 2 1 362.478 0.468 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)n1 ZINC001082797609 1257057366 /nfs/dbraw/zinc/05/73/66/1257057366.db2.gz DQNJIGTXQIJLAN-RHSMWYFYSA-N 2 1 371.489 0.793 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001082807762 1257066579 /nfs/dbraw/zinc/06/65/79/1257066579.db2.gz BSUHRZTVYICHNV-VQIMIIECSA-N 2 1 361.486 0.838 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807791 1257067342 /nfs/dbraw/zinc/06/73/42/1257067342.db2.gz DFBBMGCZRJNSIV-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082826792 1257083736 /nfs/dbraw/zinc/08/37/36/1257083736.db2.gz JMSWJDSZJYBOGG-XOKHGSTOSA-N 2 1 368.441 0.596 20 0 FCADMP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001082828810 1257086386 /nfs/dbraw/zinc/08/63/86/1257086386.db2.gz JYEYIZIYZILYOF-DVOMOZLQSA-N 2 1 364.494 0.721 20 0 FCADMP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1C ZINC001082862980 1257113804 /nfs/dbraw/zinc/11/38/04/1257113804.db2.gz AMGXTFJTNPRICQ-HUUCEWRRSA-N 2 1 360.506 0.971 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001082933763 1257154131 /nfs/dbraw/zinc/15/41/31/1257154131.db2.gz IVOFISFIIRVMQY-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001082933763 1257154136 /nfs/dbraw/zinc/15/41/36/1257154136.db2.gz IVOFISFIIRVMQY-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)C1 ZINC001082933996 1257154355 /nfs/dbraw/zinc/15/43/55/1257154355.db2.gz SKGSFADRTOYZDN-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)C1 ZINC001082933996 1257154360 /nfs/dbraw/zinc/15/43/60/1257154360.db2.gz SKGSFADRTOYZDN-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)cn1 ZINC001082933883 1257154486 /nfs/dbraw/zinc/15/44/86/1257154486.db2.gz NGYVLHLSVQECFK-NXHRZFHOSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)cn1 ZINC001082933883 1257154487 /nfs/dbraw/zinc/15/44/87/1257154487.db2.gz NGYVLHLSVQECFK-NXHRZFHOSA-N 2 1 363.506 0.603 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21)[NH+](C)C ZINC001083119051 1257349964 /nfs/dbraw/zinc/34/99/64/1257349964.db2.gz ABOMWBDEAJXXGE-IXDOHACOSA-N 2 1 362.474 0.137 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21)[NH+](C)C ZINC001083119051 1257349974 /nfs/dbraw/zinc/34/99/74/1257349974.db2.gz ABOMWBDEAJXXGE-IXDOHACOSA-N 2 1 362.474 0.137 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083143870 1257397850 /nfs/dbraw/zinc/39/78/50/1257397850.db2.gz FHEUWOCMQGGETQ-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083143870 1257397860 /nfs/dbraw/zinc/39/78/60/1257397860.db2.gz FHEUWOCMQGGETQ-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149002 1257404242 /nfs/dbraw/zinc/40/42/42/1257404242.db2.gz SAVLIHKKHTZPSQ-VVJOJPPRSA-N 2 1 361.486 0.727 20 0 FCADMP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149002 1257404246 /nfs/dbraw/zinc/40/42/46/1257404246.db2.gz SAVLIHKKHTZPSQ-VVJOJPPRSA-N 2 1 361.486 0.727 20 0 FCADMP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149002 1257404249 /nfs/dbraw/zinc/40/42/49/1257404249.db2.gz SAVLIHKKHTZPSQ-VVJOJPPRSA-N 2 1 361.486 0.727 20 0 FCADMP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149002 1257404254 /nfs/dbraw/zinc/40/42/54/1257404254.db2.gz SAVLIHKKHTZPSQ-VVJOJPPRSA-N 2 1 361.486 0.727 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749161 1257487803 /nfs/dbraw/zinc/48/78/03/1257487803.db2.gz KRURUASALQNWDN-MJGOQNOKSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001083750413 1257489272 /nfs/dbraw/zinc/48/92/72/1257489272.db2.gz VWPYEGCFCIKWRU-MOPGFXCFSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001083750413 1257489275 /nfs/dbraw/zinc/48/92/75/1257489275.db2.gz VWPYEGCFCIKWRU-MOPGFXCFSA-N 2 1 361.486 0.877 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780952 1257524070 /nfs/dbraw/zinc/52/40/70/1257524070.db2.gz PUJHHCFHMXGKTL-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780952 1257524076 /nfs/dbraw/zinc/52/40/76/1257524076.db2.gz PUJHHCFHMXGKTL-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780952 1257524082 /nfs/dbraw/zinc/52/40/82/1257524082.db2.gz PUJHHCFHMXGKTL-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780952 1257524087 /nfs/dbraw/zinc/52/40/87/1257524087.db2.gz PUJHHCFHMXGKTL-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC001521433290 1266120805 /nfs/dbraw/zinc/12/08/05/1266120805.db2.gz FHZOZDJXVADWKG-FCEWJHQRSA-N 2 1 360.502 0.816 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)cc1 ZINC001083864141 1257626556 /nfs/dbraw/zinc/62/65/56/1257626556.db2.gz ZVXFNRROEHHIHR-UHOSZYNNSA-N 2 1 361.486 0.950 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)CN1CC[NH+](C)CC1 ZINC001521503673 1266128857 /nfs/dbraw/zinc/12/88/57/1266128857.db2.gz JZIQDDPAQKNQHL-BDXSIMOUSA-N 2 1 352.523 0.533 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)CC1 ZINC001083908599 1257688414 /nfs/dbraw/zinc/68/84/14/1257688414.db2.gz MIOCZSUYEGDOOB-MSOLQXFVSA-N 2 1 363.506 0.244 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937052 1257722873 /nfs/dbraw/zinc/72/28/73/1257722873.db2.gz KFRMIEVHOGTMLU-UHOSZYNNSA-N 2 1 365.518 0.696 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954677 1257744028 /nfs/dbraw/zinc/74/40/28/1257744028.db2.gz CIPGFVCCPHYUEK-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954677 1257744035 /nfs/dbraw/zinc/74/40/35/1257744035.db2.gz CIPGFVCCPHYUEK-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954677 1257744040 /nfs/dbraw/zinc/74/40/40/1257744040.db2.gz CIPGFVCCPHYUEK-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083954677 1257744047 /nfs/dbraw/zinc/74/40/47/1257744047.db2.gz CIPGFVCCPHYUEK-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959280 1257749806 /nfs/dbraw/zinc/74/98/06/1257749806.db2.gz OPYKJZNRFLKHGY-SJORKVTESA-N 2 1 359.470 0.631 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959280 1257749811 /nfs/dbraw/zinc/74/98/11/1257749811.db2.gz OPYKJZNRFLKHGY-SJORKVTESA-N 2 1 359.470 0.631 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053623 1257864562 /nfs/dbraw/zinc/86/45/62/1257864562.db2.gz DSOFUXMKCFZHCE-KURKYZTESA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053623 1257864572 /nfs/dbraw/zinc/86/45/72/1257864572.db2.gz DSOFUXMKCFZHCE-KURKYZTESA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053623 1257864587 /nfs/dbraw/zinc/86/45/87/1257864587.db2.gz DSOFUXMKCFZHCE-KURKYZTESA-N 2 1 361.486 0.741 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054161 1257866526 /nfs/dbraw/zinc/86/65/26/1257866526.db2.gz YTMQKYQKOFJKMC-KURKYZTESA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054161 1257866531 /nfs/dbraw/zinc/86/65/31/1257866531.db2.gz YTMQKYQKOFJKMC-KURKYZTESA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054161 1257866539 /nfs/dbraw/zinc/86/65/39/1257866539.db2.gz YTMQKYQKOFJKMC-KURKYZTESA-N 2 1 359.470 0.277 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1 ZINC001084060041 1257877553 /nfs/dbraw/zinc/87/75/53/1257877553.db2.gz DZZXEHZYMXGKGM-MSOLQXFVSA-N 2 1 358.442 0.604 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1 ZINC001084060041 1257877563 /nfs/dbraw/zinc/87/75/63/1257877563.db2.gz DZZXEHZYMXGKGM-MSOLQXFVSA-N 2 1 358.442 0.604 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077858 1257904178 /nfs/dbraw/zinc/90/41/78/1257904178.db2.gz DPBDNZLDOUNZRY-CEXWTWQISA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077858 1257904181 /nfs/dbraw/zinc/90/41/81/1257904181.db2.gz DPBDNZLDOUNZRY-CEXWTWQISA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077858 1257904184 /nfs/dbraw/zinc/90/41/84/1257904184.db2.gz DPBDNZLDOUNZRY-CEXWTWQISA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077858 1257904188 /nfs/dbraw/zinc/90/41/88/1257904188.db2.gz DPBDNZLDOUNZRY-CEXWTWQISA-N 2 1 361.486 0.631 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231136 1257977231 /nfs/dbraw/zinc/97/72/31/1257977231.db2.gz USMXATHFTUXMJN-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231136 1257977237 /nfs/dbraw/zinc/97/72/37/1257977237.db2.gz USMXATHFTUXMJN-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231136 1257977243 /nfs/dbraw/zinc/97/72/43/1257977243.db2.gz USMXATHFTUXMJN-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CCC1 ZINC001084403788 1258082026 /nfs/dbraw/zinc/08/20/26/1258082026.db2.gz BTZZPKJPLZKCCJ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1)N1CCC1 ZINC001084444732 1258115497 /nfs/dbraw/zinc/11/54/97/1258115497.db2.gz CWRVZXBULGSEGN-IAGOWNOFSA-N 2 1 360.502 0.627 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1)N1CCC1 ZINC001084444732 1258115499 /nfs/dbraw/zinc/11/54/99/1258115499.db2.gz CWRVZXBULGSEGN-IAGOWNOFSA-N 2 1 360.502 0.627 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001084447400 1258117594 /nfs/dbraw/zinc/11/75/94/1258117594.db2.gz LQBFGKTWHPAIHV-VDHUWJSZSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001084447400 1258117597 /nfs/dbraw/zinc/11/75/97/1258117597.db2.gz LQBFGKTWHPAIHV-VDHUWJSZSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001084447400 1258117601 /nfs/dbraw/zinc/11/76/01/1258117601.db2.gz LQBFGKTWHPAIHV-VDHUWJSZSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001084447400 1258117603 /nfs/dbraw/zinc/11/76/03/1258117603.db2.gz LQBFGKTWHPAIHV-VDHUWJSZSA-N 2 1 361.490 0.214 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001084629384 1258209922 /nfs/dbraw/zinc/20/99/22/1258209922.db2.gz UNDABLFZTYCCOZ-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001084629384 1258209925 /nfs/dbraw/zinc/20/99/25/1258209925.db2.gz UNDABLFZTYCCOZ-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702847 1258252677 /nfs/dbraw/zinc/25/26/77/1258252677.db2.gz VRZQGKNHZNIUNJ-YXJHDRRASA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702847 1258252683 /nfs/dbraw/zinc/25/26/83/1258252683.db2.gz VRZQGKNHZNIUNJ-YXJHDRRASA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745178 1258284673 /nfs/dbraw/zinc/28/46/73/1258284673.db2.gz MNSAIHXHAWRJIT-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745178 1258284680 /nfs/dbraw/zinc/28/46/80/1258284680.db2.gz MNSAIHXHAWRJIT-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775934 1258318785 /nfs/dbraw/zinc/31/87/85/1258318785.db2.gz ZKSVGQXMFSDYMI-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775934 1258318794 /nfs/dbraw/zinc/31/87/94/1258318794.db2.gz ZKSVGQXMFSDYMI-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775934 1258318803 /nfs/dbraw/zinc/31/88/03/1258318803.db2.gz ZKSVGQXMFSDYMI-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001084832561 1258377433 /nfs/dbraw/zinc/37/74/33/1258377433.db2.gz MCAKDMNFNRIDNX-QZTJIDSGSA-N 2 1 356.470 0.914 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001084833304 1258379218 /nfs/dbraw/zinc/37/92/18/1258379218.db2.gz XVEJSKNYUIDTTD-IAGOWNOFSA-N 2 1 357.462 0.633 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001084833304 1258379225 /nfs/dbraw/zinc/37/92/25/1258379225.db2.gz XVEJSKNYUIDTTD-IAGOWNOFSA-N 2 1 357.462 0.633 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084832876 1258380348 /nfs/dbraw/zinc/38/03/48/1258380348.db2.gz CMNHAIBPKWLJTR-IAGOWNOFSA-N 2 1 355.442 0.623 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084832876 1258380355 /nfs/dbraw/zinc/38/03/55/1258380355.db2.gz CMNHAIBPKWLJTR-IAGOWNOFSA-N 2 1 355.442 0.623 20 0 FCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084910777 1258434384 /nfs/dbraw/zinc/43/43/84/1258434384.db2.gz BMEHAKCYEPJLJY-SQNIBIBYSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084910777 1258434390 /nfs/dbraw/zinc/43/43/90/1258434390.db2.gz BMEHAKCYEPJLJY-SQNIBIBYSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084910777 1258434397 /nfs/dbraw/zinc/43/43/97/1258434397.db2.gz BMEHAKCYEPJLJY-SQNIBIBYSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084910777 1258434404 /nfs/dbraw/zinc/43/44/04/1258434404.db2.gz BMEHAKCYEPJLJY-SQNIBIBYSA-N 2 1 361.490 0.216 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1)C1CCC1 ZINC001084958980 1258469923 /nfs/dbraw/zinc/46/99/23/1258469923.db2.gz JBBSRBPLRKPYLP-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1)C1CCC1 ZINC001084958980 1258469925 /nfs/dbraw/zinc/46/99/25/1258469925.db2.gz JBBSRBPLRKPYLP-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)C1CCC1 ZINC001084958980 1258469928 /nfs/dbraw/zinc/46/99/28/1258469928.db2.gz JBBSRBPLRKPYLP-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)CC1 ZINC001085022111 1258528912 /nfs/dbraw/zinc/52/89/12/1258528912.db2.gz BRCQWAUCGXCEDF-AEFFLSMTSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033098 1258533967 /nfs/dbraw/zinc/53/39/67/1258533967.db2.gz QJBJCBALPZWXKI-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033098 1258533972 /nfs/dbraw/zinc/53/39/72/1258533972.db2.gz QJBJCBALPZWXKI-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033098 1258533977 /nfs/dbraw/zinc/53/39/77/1258533977.db2.gz QJBJCBALPZWXKI-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033293 1258535693 /nfs/dbraw/zinc/53/56/93/1258535693.db2.gz ZFAIDZOFXWQUFM-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033293 1258535697 /nfs/dbraw/zinc/53/56/97/1258535697.db2.gz ZFAIDZOFXWQUFM-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033293 1258535702 /nfs/dbraw/zinc/53/57/02/1258535702.db2.gz ZFAIDZOFXWQUFM-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085050098 1258547387 /nfs/dbraw/zinc/54/73/87/1258547387.db2.gz WQVOFUSEIWVCBM-MSOLQXFVSA-N 2 1 360.506 0.933 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074896 1258568744 /nfs/dbraw/zinc/56/87/44/1258568744.db2.gz HSRLILXBWBUGHU-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074896 1258568747 /nfs/dbraw/zinc/56/87/47/1258568747.db2.gz HSRLILXBWBUGHU-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074896 1258568754 /nfs/dbraw/zinc/56/87/54/1258568754.db2.gz HSRLILXBWBUGHU-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001085159362 1258612020 /nfs/dbraw/zinc/61/20/20/1258612020.db2.gz QVRVMDJKDNWIQN-BRWVUGGUSA-N 2 1 362.474 0.938 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001085159362 1258612022 /nfs/dbraw/zinc/61/20/22/1258612022.db2.gz QVRVMDJKDNWIQN-BRWVUGGUSA-N 2 1 362.474 0.938 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001085203379 1258629499 /nfs/dbraw/zinc/62/94/99/1258629499.db2.gz GIHINKDQKLUUHM-GBJTYRQASA-N 2 1 364.494 0.356 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnn(C)n1 ZINC001087166042 1258634918 /nfs/dbraw/zinc/63/49/18/1258634918.db2.gz WLQBBIRNBNHWDW-PMPSAXMXSA-N 2 1 363.510 0.800 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166217 1258681543 /nfs/dbraw/zinc/68/15/43/1258681543.db2.gz PPDLVKAWIFEPMF-OLMNPRSZSA-N 2 1 362.518 0.763 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170057 1258689743 /nfs/dbraw/zinc/68/97/43/1258689743.db2.gz CPDJQZCDXKWBTF-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170057 1258689749 /nfs/dbraw/zinc/68/97/49/1258689749.db2.gz CPDJQZCDXKWBTF-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170057 1258689756 /nfs/dbraw/zinc/68/97/56/1258689756.db2.gz CPDJQZCDXKWBTF-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170073 1258689785 /nfs/dbraw/zinc/68/97/85/1258689785.db2.gz DBXAMLQMEIOLSB-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170073 1258689791 /nfs/dbraw/zinc/68/97/91/1258689791.db2.gz DBXAMLQMEIOLSB-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170073 1258689796 /nfs/dbraw/zinc/68/97/96/1258689796.db2.gz DBXAMLQMEIOLSB-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP O=C(N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088171727 1258690383 /nfs/dbraw/zinc/69/03/83/1258690383.db2.gz DQZOBJFNRUIYEI-IXDOHACOSA-N 2 1 370.501 0.642 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001088201190 1258723786 /nfs/dbraw/zinc/72/37/86/1258723786.db2.gz PORUGLPEKRBSPF-MSOLQXFVSA-N 2 1 362.518 0.875 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210691 1258732029 /nfs/dbraw/zinc/73/20/29/1258732029.db2.gz WOOWOQAOOKSYLL-MSOLQXFVSA-N 2 1 358.486 0.888 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212608 1258735014 /nfs/dbraw/zinc/73/50/14/1258735014.db2.gz CKEYNQYZUBTZPI-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212608 1258735020 /nfs/dbraw/zinc/73/50/20/1258735020.db2.gz CKEYNQYZUBTZPI-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212608 1258735024 /nfs/dbraw/zinc/73/50/24/1258735024.db2.gz CKEYNQYZUBTZPI-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731522 1258802681 /nfs/dbraw/zinc/80/26/81/1258802681.db2.gz QVOIWXZQKAGKBF-QKLQHJQFSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731522 1258802686 /nfs/dbraw/zinc/80/26/86/1258802686.db2.gz QVOIWXZQKAGKBF-QKLQHJQFSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091731522 1258802689 /nfs/dbraw/zinc/80/26/89/1258802689.db2.gz QVOIWXZQKAGKBF-QKLQHJQFSA-N 2 1 364.534 0.833 20 0 FCADMP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092721902 1258818125 /nfs/dbraw/zinc/81/81/25/1258818125.db2.gz SZEDLRSYRNGRCY-JOCBIADPSA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092721902 1258818138 /nfs/dbraw/zinc/81/81/38/1258818138.db2.gz SZEDLRSYRNGRCY-JOCBIADPSA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092721902 1258818148 /nfs/dbraw/zinc/81/81/48/1258818148.db2.gz SZEDLRSYRNGRCY-JOCBIADPSA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092721902 1258818158 /nfs/dbraw/zinc/81/81/58/1258818158.db2.gz SZEDLRSYRNGRCY-JOCBIADPSA-N 2 1 363.506 0.366 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817001 1258854242 /nfs/dbraw/zinc/85/42/42/1258854242.db2.gz KGVOODIULRQYND-MGPQQGTHSA-N 2 1 356.430 0.439 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817200 1258854693 /nfs/dbraw/zinc/85/46/93/1258854693.db2.gz OSSPHNUKLFSBGW-CKEIUWERSA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001100343663 1258908927 /nfs/dbraw/zinc/90/89/27/1258908927.db2.gz MAPDDGZNEDCQAW-XSCHDIRWSA-N 2 1 360.462 0.240 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001100438086 1258910743 /nfs/dbraw/zinc/91/07/43/1258910743.db2.gz ONNYIFFVBJNKCH-PRLABOORSA-N 2 1 368.522 0.352 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001100438086 1258910746 /nfs/dbraw/zinc/91/07/46/1258910746.db2.gz ONNYIFFVBJNKCH-PRLABOORSA-N 2 1 368.522 0.352 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001100437960 1258910849 /nfs/dbraw/zinc/91/08/49/1258910849.db2.gz JHCUCMPCEDKNIJ-RKHAHWSXSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001100437960 1258910856 /nfs/dbraw/zinc/91/08/56/1258910856.db2.gz JHCUCMPCEDKNIJ-RKHAHWSXSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106664905 1258935892 /nfs/dbraw/zinc/93/58/92/1258935892.db2.gz CAMHHQMQZUUOHP-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)C2 ZINC001106667084 1258937231 /nfs/dbraw/zinc/93/72/31/1258937231.db2.gz HGPAMJNCTYNQKU-HYVNUMGLSA-N 2 1 364.490 0.447 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106765567 1258957068 /nfs/dbraw/zinc/95/70/68/1258957068.db2.gz JAQCVCNNMACMMG-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767059 1258958456 /nfs/dbraw/zinc/95/84/56/1258958456.db2.gz YQEIRPLPAVITDT-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106810551 1258967704 /nfs/dbraw/zinc/96/77/04/1258967704.db2.gz FIFMEIKNWKAUCF-RBSFLKMASA-N 2 1 370.457 0.700 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106839196 1258974069 /nfs/dbraw/zinc/97/40/69/1258974069.db2.gz AIQZKOOCSSFZPD-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001106840512 1258974660 /nfs/dbraw/zinc/97/46/60/1258974660.db2.gz QPTZATMNFRUMKZ-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881316 1258987232 /nfs/dbraw/zinc/98/72/32/1258987232.db2.gz BRODWNIXMOMMJM-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009694 1259017180 /nfs/dbraw/zinc/01/71/80/1259017180.db2.gz WMBFBDMJYUTLQL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009694 1259017187 /nfs/dbraw/zinc/01/71/87/1259017187.db2.gz WMBFBDMJYUTLQL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCNC(=O)C1CC1)CC2 ZINC001107329403 1259055195 /nfs/dbraw/zinc/05/51/95/1259055195.db2.gz SSYNXAMGLSJVFG-MBOZVWFJSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2 ZINC001107329403 1259055199 /nfs/dbraw/zinc/05/51/99/1259055199.db2.gz SSYNXAMGLSJVFG-MBOZVWFJSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNC(=O)C1CC1)CC2 ZINC001107329403 1259055204 /nfs/dbraw/zinc/05/52/04/1259055204.db2.gz SSYNXAMGLSJVFG-MBOZVWFJSA-N 2 1 362.518 0.968 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107444372 1259091338 /nfs/dbraw/zinc/09/13/38/1259091338.db2.gz DEWUMMJIBFBNMW-QIIPPGSGSA-N 2 1 367.494 0.128 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)cn1 ZINC001107609340 1259132371 /nfs/dbraw/zinc/13/23/71/1259132371.db2.gz OCHPMAYKLWHWJE-IEBWSBKVSA-N 2 1 363.506 0.859 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107609445 1259132712 /nfs/dbraw/zinc/13/27/12/1259132712.db2.gz SHSNMNYPYVLVDK-SJLPKXTDSA-N 2 1 364.494 0.217 20 0 FCADMP C[N@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2)Cc1ccccc1 ZINC001107652056 1259143475 /nfs/dbraw/zinc/14/34/75/1259143475.db2.gz YOBUQORIXXVYLO-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2)Cc1ccccc1 ZINC001107652056 1259143478 /nfs/dbraw/zinc/14/34/78/1259143478.db2.gz YOBUQORIXXVYLO-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)Cc1ccccc1 ZINC001107652056 1259143481 /nfs/dbraw/zinc/14/34/81/1259143481.db2.gz YOBUQORIXXVYLO-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)Cc1ccccc1 ZINC001107652056 1259143485 /nfs/dbraw/zinc/14/34/85/1259143485.db2.gz YOBUQORIXXVYLO-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP CCn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127570650 1259180044 /nfs/dbraw/zinc/18/00/44/1259180044.db2.gz ANFPQGJEKCESMC-MSOLQXFVSA-N 2 1 363.506 0.856 20 0 FCADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)nn1C ZINC001127570915 1259180590 /nfs/dbraw/zinc/18/05/90/1259180590.db2.gz FPWJCBOFMIIVHZ-MSOLQXFVSA-N 2 1 363.506 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccccc2F)CC[N@H+]1C ZINC001127643873 1259183564 /nfs/dbraw/zinc/18/35/64/1259183564.db2.gz PHWRCQFIPMOUOW-GDBMZVCRSA-N 2 1 364.465 0.830 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659764 1259183871 /nfs/dbraw/zinc/18/38/71/1259183871.db2.gz JUVLTEGZQBZUEP-CKEIUWERSA-N 2 1 364.465 0.876 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003806 1259286299 /nfs/dbraw/zinc/28/62/99/1259286299.db2.gz HXIRAKXPYPMSIY-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003806 1259286305 /nfs/dbraw/zinc/28/63/05/1259286305.db2.gz HXIRAKXPYPMSIY-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003806 1259286307 /nfs/dbraw/zinc/28/63/07/1259286307.db2.gz HXIRAKXPYPMSIY-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071677 1259304458 /nfs/dbraw/zinc/30/44/58/1259304458.db2.gz JAQVZHYTZBDZBB-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071677 1259304464 /nfs/dbraw/zinc/30/44/64/1259304464.db2.gz JAQVZHYTZBDZBB-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084035 1259306891 /nfs/dbraw/zinc/30/68/91/1259306891.db2.gz AKLUZAJXAZIWPC-OAGGEKHMSA-N 2 1 366.510 0.511 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084035 1259306899 /nfs/dbraw/zinc/30/68/99/1259306899.db2.gz AKLUZAJXAZIWPC-OAGGEKHMSA-N 2 1 366.510 0.511 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084035 1259306906 /nfs/dbraw/zinc/30/69/06/1259306906.db2.gz AKLUZAJXAZIWPC-OAGGEKHMSA-N 2 1 366.510 0.511 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129089555 1259308766 /nfs/dbraw/zinc/30/87/66/1259308766.db2.gz KMRNQCQOFVRENB-OAGGEKHMSA-N 2 1 366.510 0.775 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129089555 1259308772 /nfs/dbraw/zinc/30/87/72/1259308772.db2.gz KMRNQCQOFVRENB-OAGGEKHMSA-N 2 1 366.510 0.775 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205649 1259345545 /nfs/dbraw/zinc/34/55/45/1259345545.db2.gz ZQKDYVVWZUSVAW-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205649 1259345548 /nfs/dbraw/zinc/34/55/48/1259345548.db2.gz ZQKDYVVWZUSVAW-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220358 1259348102 /nfs/dbraw/zinc/34/81/02/1259348102.db2.gz WCTWTZHSEQGDID-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220481 1259348238 /nfs/dbraw/zinc/34/82/38/1259348238.db2.gz XHBGUZSWFHSRTK-UAGQMJEPSA-N 2 1 364.494 0.122 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129228186 1259349258 /nfs/dbraw/zinc/34/92/58/1259349258.db2.gz HPOBZWYRPKPABO-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228478 1259351440 /nfs/dbraw/zinc/35/14/40/1259351440.db2.gz URMLKWDUSCAYCF-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261694 1259357063 /nfs/dbraw/zinc/35/70/63/1259357063.db2.gz GIQDQTRXVNNKGP-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261694 1259357073 /nfs/dbraw/zinc/35/70/73/1259357073.db2.gz GIQDQTRXVNNKGP-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129261694 1259357076 /nfs/dbraw/zinc/35/70/76/1259357076.db2.gz GIQDQTRXVNNKGP-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300753 1259369061 /nfs/dbraw/zinc/36/90/61/1259369061.db2.gz GGLJTWLQDIOKFB-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180610002 1259395806 /nfs/dbraw/zinc/39/58/06/1259395806.db2.gz CFABLSCYXGBOGS-INIZCTEOSA-N 2 1 360.458 0.957 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023373 1259412917 /nfs/dbraw/zinc/41/29/17/1259412917.db2.gz GIVXYUBZADWQGW-GVDBMIGSSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023373 1259412926 /nfs/dbraw/zinc/41/29/26/1259412926.db2.gz GIVXYUBZADWQGW-GVDBMIGSSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCc3ccnn3C)C2)CC[N@H+]1C ZINC001200547580 1259416094 /nfs/dbraw/zinc/41/60/94/1259416094.db2.gz OVYKMBGDIPHLCJ-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cccn3)C2)CC[N@H+]1C ZINC001200556410 1259418182 /nfs/dbraw/zinc/41/81/82/1259418182.db2.gz YDENVSGSKLCXND-OKZBNKHCSA-N 2 1 363.506 0.821 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001212295220 1259455283 /nfs/dbraw/zinc/45/52/83/1259455283.db2.gz BRRUFKRKXURQCX-DJIMGWMZSA-N 2 1 367.494 0.035 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293315 1259455649 /nfs/dbraw/zinc/45/56/49/1259455649.db2.gz FSRCRQCHPLDKCI-IPMKNSEASA-N 2 1 365.518 0.960 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483121 1259519504 /nfs/dbraw/zinc/51/95/04/1259519504.db2.gz CAIFJHNWPQHXTC-RBSFLKMASA-N 2 1 364.494 0.311 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483121 1259519511 /nfs/dbraw/zinc/51/95/11/1259519511.db2.gz CAIFJHNWPQHXTC-RBSFLKMASA-N 2 1 364.494 0.311 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483121 1259519519 /nfs/dbraw/zinc/51/95/19/1259519519.db2.gz CAIFJHNWPQHXTC-RBSFLKMASA-N 2 1 364.494 0.311 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212483121 1259519523 /nfs/dbraw/zinc/51/95/23/1259519523.db2.gz CAIFJHNWPQHXTC-RBSFLKMASA-N 2 1 364.494 0.311 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)on1 ZINC001215536027 1259534841 /nfs/dbraw/zinc/53/48/41/1259534841.db2.gz DUCYYOVCLXEEND-VHDGCEQUSA-N 2 1 363.462 0.842 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215536101 1259535065 /nfs/dbraw/zinc/53/50/65/1259535065.db2.gz IKGLQCVCZADEII-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216222185 1259536946 /nfs/dbraw/zinc/53/69/46/1259536946.db2.gz VDLPEGBQTHYGSJ-QLFBSQMISA-N 2 1 362.478 0.582 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCNC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001234403103 1259559546 /nfs/dbraw/zinc/55/95/46/1259559546.db2.gz QHEQPCDOLMGYAT-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001234403103 1259559551 /nfs/dbraw/zinc/55/95/51/1259559551.db2.gz QHEQPCDOLMGYAT-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001234403103 1259559557 /nfs/dbraw/zinc/55/95/57/1259559557.db2.gz QHEQPCDOLMGYAT-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001234403103 1259559562 /nfs/dbraw/zinc/55/95/62/1259559562.db2.gz QHEQPCDOLMGYAT-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOCCNC(C)=O)CC[N@H+]1C ZINC001234413167 1259560109 /nfs/dbraw/zinc/56/01/09/1259560109.db2.gz HDIYPVGLGZXUKT-OKZBNKHCSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOCCNC(C)=O)CC[NH+]1C ZINC001234413167 1259560113 /nfs/dbraw/zinc/56/01/13/1259560113.db2.gz HDIYPVGLGZXUKT-OKZBNKHCSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCOCCNC(C)=O)CC[NH+]1C ZINC001234413167 1259560115 /nfs/dbraw/zinc/56/01/15/1259560115.db2.gz HDIYPVGLGZXUKT-OKZBNKHCSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN1C[C@@H]2C[N@@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)C[C@@H]2C1=O ZINC001236889965 1259592709 /nfs/dbraw/zinc/59/27/09/1259592709.db2.gz VDCAJQRUKJIOAS-ICSRJNTNSA-N 2 1 372.513 0.975 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH2+]CCC23CCOCC3)CC1(C)C ZINC001335302130 1259596131 /nfs/dbraw/zinc/59/61/31/1259596131.db2.gz UKXYQUNDDXZYFW-UHFFFAOYSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333767 1259610050 /nfs/dbraw/zinc/61/00/50/1259610050.db2.gz NOXDXHOLCALAOH-DLBZAZTESA-N 2 1 368.522 0.801 20 0 FCADMP C[C@](O)(C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCc1ccccc1 ZINC001245986055 1259643654 /nfs/dbraw/zinc/64/36/54/1259643654.db2.gz NZHZMCYOUOIHIR-HKUYNNGSSA-N 2 1 361.486 0.945 20 0 FCADMP O[C@H](CNC1(Cc2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000296 1259643919 /nfs/dbraw/zinc/64/39/19/1259643919.db2.gz YZIAYSWUYBNVTD-KRWDZBQOSA-N 2 1 365.493 0.946 20 0 FCADMP O[C@H](C[NH+]1CCC2(CC1)NCCc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246062134 1259646098 /nfs/dbraw/zinc/64/60/98/1259646098.db2.gz BXMZKLLSYLTIDL-SFHVURJKSA-N 2 1 359.514 0.989 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001335415588 1259653010 /nfs/dbraw/zinc/65/30/10/1259653010.db2.gz AMYHZVNNFAWTLM-UXLLHSPISA-N 2 1 365.522 0.569 20 0 FCADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246485473 1259655131 /nfs/dbraw/zinc/65/51/31/1259655131.db2.gz LWLMPXRSJBWKGD-QZTJIDSGSA-N 3 1 360.502 0.911 20 0 FCADMP COc1ccc(CN2CC[C@@H]([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246585102 1259656852 /nfs/dbraw/zinc/65/68/52/1259656852.db2.gz OGWVKUMTICDRSA-UXLLHSPISA-N 2 1 363.458 0.446 20 0 FCADMP COc1ccc(CN2CC[C@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)CC2=O)cc1 ZINC001246624976 1259658115 /nfs/dbraw/zinc/65/81/15/1259658115.db2.gz DUQNNUOGXJPDCD-PXNSSMCTSA-N 2 1 358.486 0.824 20 0 FCADMP O=C([C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693995 1259660917 /nfs/dbraw/zinc/66/09/17/1259660917.db2.gz KITIALFLEGVKHU-SJORKVTESA-N 2 1 360.502 0.207 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700397 1259661769 /nfs/dbraw/zinc/66/17/69/1259661769.db2.gz IZQSIKQLINQRLD-DTJSUFBGSA-N 2 1 359.474 0.826 20 0 FCADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700397 1259661776 /nfs/dbraw/zinc/66/17/76/1259661776.db2.gz IZQSIKQLINQRLD-DTJSUFBGSA-N 2 1 359.474 0.826 20 0 FCADMP Cn1cccc1C(=O)N[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@@H]21 ZINC001246713275 1259665836 /nfs/dbraw/zinc/66/58/36/1259665836.db2.gz DYWUFHZICNDBAK-LISAXSMJSA-N 2 1 373.501 0.081 20 0 FCADMP c1cncc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709148 1259666362 /nfs/dbraw/zinc/66/63/62/1259666362.db2.gz SDVYSRVBGUIOGA-XLIONFOSSA-N 2 1 357.502 0.847 20 0 FCADMP O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711749 1259666734 /nfs/dbraw/zinc/66/67/34/1259666734.db2.gz WYFGJFAWRHXFAP-HOTGVXAUSA-N 2 1 358.490 0.031 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722662 1259667953 /nfs/dbraw/zinc/66/79/53/1259667953.db2.gz RXMOWLUUJRFBKW-OGWOLHLISA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722662 1259667961 /nfs/dbraw/zinc/66/79/61/1259667961.db2.gz RXMOWLUUJRFBKW-OGWOLHLISA-N 2 1 374.489 0.200 20 0 FCADMP CN(Cc1cccnc1)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246720801 1259669011 /nfs/dbraw/zinc/66/90/11/1259669011.db2.gz GANWJHVSRMNTFR-NMLBUPMWSA-N 2 1 371.529 0.839 20 0 FCADMP O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246728968 1259670872 /nfs/dbraw/zinc/67/08/72/1259670872.db2.gz VNQZYOAWKBFUDC-BSDSXHPESA-N 2 1 362.518 0.476 20 0 FCADMP C[C@@H]1CCCN1C(=O)c1nn([C@@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]CC2 ZINC001246729868 1259671448 /nfs/dbraw/zinc/67/14/48/1259671448.db2.gz PWTLUTDLGKNUBY-ZIAGYGMSSA-N 2 1 358.490 0.420 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740565 1259675564 /nfs/dbraw/zinc/67/55/64/1259675564.db2.gz MTPOFOZSARAIMT-NBZXXOOGSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744825 1259676399 /nfs/dbraw/zinc/67/63/99/1259676399.db2.gz LTVVCOONFRCBAF-TVKQPGBESA-N 2 1 372.517 0.976 20 0 FCADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744469 1259677943 /nfs/dbraw/zinc/67/79/43/1259677943.db2.gz MWKSYHJKNWEQSM-QGZVFWFLSA-N 3 1 358.534 0.821 20 0 FCADMP c1nc2n(c1CN1CCCCC1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744469 1259677954 /nfs/dbraw/zinc/67/79/54/1259677954.db2.gz MWKSYHJKNWEQSM-QGZVFWFLSA-N 2 1 358.534 0.821 20 0 FCADMP c1nc2n(c1CN1CCCCC1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744469 1259677964 /nfs/dbraw/zinc/67/79/64/1259677964.db2.gz MWKSYHJKNWEQSM-QGZVFWFLSA-N 2 1 358.534 0.821 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246751156 1259679118 /nfs/dbraw/zinc/67/91/18/1259679118.db2.gz HQTZSWNWMXAUSV-AKHDSKFASA-N 2 1 374.485 0.508 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246751156 1259679127 /nfs/dbraw/zinc/67/91/27/1259679127.db2.gz HQTZSWNWMXAUSV-AKHDSKFASA-N 2 1 374.485 0.508 20 0 FCADMP O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753732 1259679533 /nfs/dbraw/zinc/67/95/33/1259679533.db2.gz CNRYYCJDKWCYOT-UYAOXDASSA-N 2 1 369.513 0.990 20 0 FCADMP O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]21)N1CCOCC1 ZINC001246758568 1259683009 /nfs/dbraw/zinc/68/30/09/1259683009.db2.gz ZDNPULHUSFJHQH-JIDJOPGDSA-N 2 1 363.502 0.855 20 0 FCADMP O=C(C[C@@H]1OC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]21)N1CCOCC1 ZINC001246758568 1259683014 /nfs/dbraw/zinc/68/30/14/1259683014.db2.gz ZDNPULHUSFJHQH-JIDJOPGDSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765213 1259684350 /nfs/dbraw/zinc/68/43/50/1259684350.db2.gz INISOKNCESDHCA-AAEZLKGMSA-N 2 1 359.474 0.684 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246855966 1259693815 /nfs/dbraw/zinc/69/38/15/1259693815.db2.gz CYBLXWLZRLFMDY-TVRAHDOYSA-N 2 1 365.474 0.001 20 0 FCADMP CC1(C)COC2(CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC2)OC1 ZINC001246924709 1259695657 /nfs/dbraw/zinc/69/56/57/1259695657.db2.gz IXEUUSUCHDOSMV-UHFFFAOYSA-N 3 1 370.538 0.814 20 0 FCADMP CC1(C)COC2(CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC2)OC1 ZINC001246924709 1259695662 /nfs/dbraw/zinc/69/56/62/1259695662.db2.gz IXEUUSUCHDOSMV-UHFFFAOYSA-N 2 1 370.538 0.814 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4C[NH2+]C[C@H](O)C4)n3)c2)CC1 ZINC001247746261 1259705306 /nfs/dbraw/zinc/70/53/06/1259705306.db2.gz ALKQRLNCPKHDKI-IAGOWNOFSA-N 2 1 357.458 0.922 20 0 FCADMP C[N@H+]1C[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)OC2(CC[NH2+]CC2)C1 ZINC001247855102 1259707380 /nfs/dbraw/zinc/70/73/80/1259707380.db2.gz ATVKROHDXATRGZ-INIZCTEOSA-N 3 1 370.457 0.903 20 0 FCADMP CN1C[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)OC2(CC[NH2+]CC2)C1 ZINC001247855102 1259707388 /nfs/dbraw/zinc/70/73/88/1259707388.db2.gz ATVKROHDXATRGZ-INIZCTEOSA-N 2 1 370.457 0.903 20 0 FCADMP Cn1c(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cccc1=O ZINC001248805859 1259717196 /nfs/dbraw/zinc/71/71/96/1259717196.db2.gz LDRLTLHVVQHAAT-UHFFFAOYSA-N 2 1 356.470 0.709 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637774 1259800837 /nfs/dbraw/zinc/80/08/37/1259800837.db2.gz UXDBIXHFUCXLGL-ZHALLVOQSA-N 2 1 368.474 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637774 1259800845 /nfs/dbraw/zinc/80/08/45/1259800845.db2.gz UXDBIXHFUCXLGL-ZHALLVOQSA-N 2 1 368.474 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637774 1259800853 /nfs/dbraw/zinc/80/08/53/1259800853.db2.gz UXDBIXHFUCXLGL-ZHALLVOQSA-N 2 1 368.474 0.826 20 0 FCADMP COCCN1C[C@@H]2C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925894 1259813146 /nfs/dbraw/zinc/81/31/46/1259813146.db2.gz AMKVNNCRGNTKFE-ZJOUEHCJSA-N 2 1 373.497 0.660 20 0 FCADMP COCCN1C[C@@H]2C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925894 1259813154 /nfs/dbraw/zinc/81/31/54/1259813154.db2.gz AMKVNNCRGNTKFE-ZJOUEHCJSA-N 2 1 373.497 0.660 20 0 FCADMP COCCN1C[C@@H]2C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925894 1259813164 /nfs/dbraw/zinc/81/31/64/1259813164.db2.gz AMKVNNCRGNTKFE-ZJOUEHCJSA-N 2 1 373.497 0.660 20 0 FCADMP COCCN1C[C@@H]2C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925894 1259813172 /nfs/dbraw/zinc/81/31/72/1259813172.db2.gz AMKVNNCRGNTKFE-ZJOUEHCJSA-N 2 1 373.497 0.660 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184608 1259826772 /nfs/dbraw/zinc/82/67/72/1259826772.db2.gz HEQYGRDXUPKTKT-LPHOPBHVSA-N 2 1 368.522 0.092 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001253185719 1259827917 /nfs/dbraw/zinc/82/79/17/1259827917.db2.gz SWMHJWDIMMQXCI-FCGDIQPGSA-N 2 1 367.534 0.942 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001253186093 1259829360 /nfs/dbraw/zinc/82/93/60/1259829360.db2.gz WLHRGOBXXKXJQX-DLBZAZTESA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253391254 1259837716 /nfs/dbraw/zinc/83/77/16/1259837716.db2.gz XIKLXMGZSGAMPJ-WCXIOVBPSA-N 2 1 369.506 0.626 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253391254 1259837721 /nfs/dbraw/zinc/83/77/21/1259837721.db2.gz XIKLXMGZSGAMPJ-WCXIOVBPSA-N 2 1 369.506 0.626 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790557 1259841144 /nfs/dbraw/zinc/84/11/44/1259841144.db2.gz KKBXPWBURGMCBK-KRWDZBQOSA-N 2 1 362.478 0.398 20 0 FCADMP C[N@@H+](CCO)CCC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915138 1259864779 /nfs/dbraw/zinc/86/47/79/1259864779.db2.gz KDFMNZXZQOCSMS-SJORKVTESA-N 2 1 369.416 0.410 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524244 1259889312 /nfs/dbraw/zinc/88/93/12/1259889312.db2.gz VPEYNPGPWYGZAK-QBPKDAKJSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524244 1259889325 /nfs/dbraw/zinc/88/93/25/1259889325.db2.gz VPEYNPGPWYGZAK-QBPKDAKJSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524244 1259889330 /nfs/dbraw/zinc/88/93/30/1259889330.db2.gz VPEYNPGPWYGZAK-QBPKDAKJSA-N 2 1 361.490 0.866 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523397 1259890668 /nfs/dbraw/zinc/89/06/68/1259890668.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 2 1 366.550 0.973 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254523397 1259890680 /nfs/dbraw/zinc/89/06/80/1259890680.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 2 1 366.550 0.973 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254523397 1259890689 /nfs/dbraw/zinc/89/06/89/1259890689.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 2 1 366.550 0.973 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523723 1259890829 /nfs/dbraw/zinc/89/08/29/1259890829.db2.gz VPEYNPGPWYGZAK-MWDXBVQZSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523723 1259890837 /nfs/dbraw/zinc/89/08/37/1259890837.db2.gz VPEYNPGPWYGZAK-MWDXBVQZSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523723 1259890841 /nfs/dbraw/zinc/89/08/41/1259890841.db2.gz VPEYNPGPWYGZAK-MWDXBVQZSA-N 2 1 361.490 0.866 20 0 FCADMP C[N@H+]1CC[C@H](N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426355 1259911721 /nfs/dbraw/zinc/91/17/21/1259911721.db2.gz COMBLCDGRLAJNL-QILLFSRXSA-N 2 1 365.453 0.521 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001336035026 1259953326 /nfs/dbraw/zinc/95/33/26/1259953326.db2.gz MNUOBZPXQHEPLB-HKUYNNGSSA-N 2 1 365.522 0.321 20 0 FCADMP C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CC(C)(C)O ZINC001336174624 1260024992 /nfs/dbraw/zinc/02/49/92/1260024992.db2.gz FJTAEHATQXNFEO-JKSUJKDBSA-N 2 1 368.522 0.632 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336256669 1260059531 /nfs/dbraw/zinc/05/95/31/1260059531.db2.gz RBLNJAOXMUEVEB-FGTMMUONSA-N 2 1 371.485 0.559 20 0 FCADMP CC(C)NC(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336763395 1260217920 /nfs/dbraw/zinc/21/79/20/1260217920.db2.gz QYQCNQQTVIGWBK-IYBDPMFKSA-N 2 1 351.495 0.511 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC001262060526 1260252591 /nfs/dbraw/zinc/25/25/91/1260252591.db2.gz CKUYAMSDKALJEF-QZTJIDSGSA-N 2 1 374.485 0.080 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001262063962 1260253643 /nfs/dbraw/zinc/25/36/43/1260253643.db2.gz NQZFHSKTISUGRX-NCOADZHNSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001262213865 1260278949 /nfs/dbraw/zinc/27/89/49/1260278949.db2.gz BCPFQMKFWIJHKI-INIZCTEOSA-N 2 1 365.526 0.952 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001262213865 1260278958 /nfs/dbraw/zinc/27/89/58/1260278958.db2.gz BCPFQMKFWIJHKI-INIZCTEOSA-N 2 1 365.526 0.952 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001337052303 1260296257 /nfs/dbraw/zinc/29/62/57/1260296257.db2.gz IXANJOTZAOOTBW-LSDHHAIUSA-N 2 1 364.494 0.421 20 0 FCADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337078527 1260303014 /nfs/dbraw/zinc/30/30/14/1260303014.db2.gz YWYYEXFABWRZJS-DLBZAZTESA-N 2 1 354.539 0.923 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001337077872 1260303352 /nfs/dbraw/zinc/30/33/52/1260303352.db2.gz MICVNEYAEARSHJ-DLBZAZTESA-N 2 1 350.507 0.289 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084053 1260304789 /nfs/dbraw/zinc/30/47/89/1260304789.db2.gz GPVRYQUPVXEAKL-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337084053 1260304795 /nfs/dbraw/zinc/30/47/95/1260304795.db2.gz GPVRYQUPVXEAKL-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337084053 1260304800 /nfs/dbraw/zinc/30/48/00/1260304800.db2.gz GPVRYQUPVXEAKL-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)[C@@H](C)C1 ZINC001337387442 1260387050 /nfs/dbraw/zinc/38/70/50/1260387050.db2.gz NJWMSJOLPTYSFX-JJXSEGSLSA-N 2 1 354.495 0.188 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001272745960 1260497419 /nfs/dbraw/zinc/49/74/19/1260497419.db2.gz UXGBBYBTTBZBTH-IRXDYDNUSA-N 2 1 360.502 0.768 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC001337862900 1260503068 /nfs/dbraw/zinc/50/30/68/1260503068.db2.gz UHUUCJOUFTVWII-DLBZAZTESA-N 2 1 368.522 0.801 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCCC3)C[C@@H]21 ZINC001273141773 1260606131 /nfs/dbraw/zinc/60/61/31/1260606131.db2.gz SWVKENURBNLUGQ-QYZOEREBSA-N 2 1 364.534 0.867 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273257323 1260639216 /nfs/dbraw/zinc/63/92/16/1260639216.db2.gz ZPWFQKUEYPUCTH-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001273272238 1260643804 /nfs/dbraw/zinc/64/38/04/1260643804.db2.gz FSMMCSGFVXBRNI-RDJZCZTQSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc(C(C)(C)O)nc4)CC3)[C@H]2C1 ZINC001278920634 1260759487 /nfs/dbraw/zinc/75/94/87/1260759487.db2.gz QZIPZEPGJDXRHC-HOTGVXAUSA-N 2 1 358.486 0.951 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@@H]2C1 ZINC001279162833 1260795505 /nfs/dbraw/zinc/79/55/05/1260795505.db2.gz CRAHUOPJFQPFKA-IAGOWNOFSA-N 2 1 362.474 0.648 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001279257715 1260814330 /nfs/dbraw/zinc/81/43/30/1260814330.db2.gz WOHBGQFCAHAULY-ZRGWGRIASA-N 2 1 360.502 0.673 20 0 FCADMP Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCN(C)C)C[C@H]23)[nH]1 ZINC001279289878 1260824133 /nfs/dbraw/zinc/82/41/33/1260824133.db2.gz DYGRKCJAFSVURV-QZTJIDSGSA-N 2 1 359.518 0.897 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@H]2C1 ZINC001279309950 1260834997 /nfs/dbraw/zinc/83/49/97/1260834997.db2.gz QCMMBDWFJCCUTK-IRXDYDNUSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ncccc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001279559379 1260892713 /nfs/dbraw/zinc/89/27/13/1260892713.db2.gz QCJCUCFPGGKZSN-LJQANCHMSA-N 2 1 361.490 0.505 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618201 1260900562 /nfs/dbraw/zinc/90/05/62/1260900562.db2.gz UIHFRJJQXYMIEE-YRXWBPOGSA-N 2 1 363.502 0.809 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4OCCO)CC3)[C@@H]2C1 ZINC001279701408 1260917901 /nfs/dbraw/zinc/91/79/01/1260917901.db2.gz WYRTVUGMDRPDTQ-IAGOWNOFSA-N 2 1 359.470 0.700 20 0 FCADMP Cc1cc[nH+]c(N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CCN(C)C)C[C@@H]23)c1 ZINC001280090734 1260998346 /nfs/dbraw/zinc/99/83/46/1260998346.db2.gz YRDPNCBIENFBBL-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1cc[nH+]c(N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CCN(C)C)C[C@@H]23)c1 ZINC001280090734 1260998347 /nfs/dbraw/zinc/99/83/47/1260998347.db2.gz YRDPNCBIENFBBL-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP COCCN(C)C(=O)[C@H]1CCn2nccc2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001280126625 1261011819 /nfs/dbraw/zinc/01/18/19/1261011819.db2.gz WWHWFWITFAPHMR-GOSISDBHSA-N 2 1 363.506 0.904 20 0 FCADMP COCCN(C)C(=O)[C@H]1CCn2nccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001280126625 1261011823 /nfs/dbraw/zinc/01/18/23/1261011823.db2.gz WWHWFWITFAPHMR-GOSISDBHSA-N 2 1 363.506 0.904 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]23)CC1 ZINC001280135593 1261013732 /nfs/dbraw/zinc/01/37/32/1261013732.db2.gz OLQRQDSNCFTTKA-DLBZAZTESA-N 3 1 363.506 0.225 20 0 FCADMP O=C(NCCn1ccnn1)c1cc2c([nH]1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001280138210 1261014781 /nfs/dbraw/zinc/01/47/81/1261014781.db2.gz VVBRIPDNCIHIRD-UHFFFAOYSA-N 2 1 357.462 0.394 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@@]2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280201369 1261030805 /nfs/dbraw/zinc/03/08/05/1261030805.db2.gz PTFSCXONTHIBQC-HQRMLTQVSA-N 2 1 365.518 0.793 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC[C@]12CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255145 1261042211 /nfs/dbraw/zinc/04/22/11/1261042211.db2.gz FBGXTBCERNQJGV-RLFYNMQTSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC[C@]12CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280255145 1261042216 /nfs/dbraw/zinc/04/22/16/1261042216.db2.gz FBGXTBCERNQJGV-RLFYNMQTSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC[C@]12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280255145 1261042222 /nfs/dbraw/zinc/04/22/22/1261042222.db2.gz FBGXTBCERNQJGV-RLFYNMQTSA-N 2 1 361.494 0.983 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280254822 1261042362 /nfs/dbraw/zinc/04/23/62/1261042362.db2.gz AQLPYZCVTIQUSG-OXQOHEQNSA-N 2 1 364.509 0.905 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280249205 1261042452 /nfs/dbraw/zinc/04/24/52/1261042452.db2.gz AXNNLVHISXALIB-QRVBRYPASA-N 2 1 365.518 0.960 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001280272904 1261045699 /nfs/dbraw/zinc/04/56/99/1261045699.db2.gz QTEQZCDMUCTEEW-XLIONFOSSA-N 2 1 362.518 0.920 20 0 FCADMP [NH3+]CCCn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001580302668 1278110092 /nfs/dbraw/zinc/11/00/92/1278110092.db2.gz MNBOOHLRWXSNAY-OAHLLOKOSA-N 2 1 362.503 0.800 20 0 FCADMP [NH3+]CCCn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001580302668 1278110096 /nfs/dbraw/zinc/11/00/96/1278110096.db2.gz MNBOOHLRWXSNAY-OAHLLOKOSA-N 2 1 362.503 0.800 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580321765 1278123349 /nfs/dbraw/zinc/12/33/49/1278123349.db2.gz IAWJTPOBMKWDER-FRFSOERESA-N 2 1 369.473 0.755 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+](CCC)C2)C[C@H]1O ZINC001289146532 1262127429 /nfs/dbraw/zinc/12/74/29/1262127429.db2.gz UQSZRMZTBBDOLU-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859044 1262358920 /nfs/dbraw/zinc/35/89/20/1262358920.db2.gz KMXJEEVMBQSBDL-BRWVUGGUSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859044 1262358927 /nfs/dbraw/zinc/35/89/27/1262358927.db2.gz KMXJEEVMBQSBDL-BRWVUGGUSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859044 1262358936 /nfs/dbraw/zinc/35/89/36/1262358936.db2.gz KMXJEEVMBQSBDL-BRWVUGGUSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001580341158 1278138281 /nfs/dbraw/zinc/13/82/81/1278138281.db2.gz SNDZCHMCUJDCSC-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580341158 1278138282 /nfs/dbraw/zinc/13/82/82/1278138282.db2.gz SNDZCHMCUJDCSC-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580341158 1278138286 /nfs/dbraw/zinc/13/82/86/1278138286.db2.gz SNDZCHMCUJDCSC-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580345050 1278139903 /nfs/dbraw/zinc/13/99/03/1278139903.db2.gz FOXFZJJLLHCKOL-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290873474 1262525336 /nfs/dbraw/zinc/52/53/36/1262525336.db2.gz FFNLAOCZQQHOPX-SFHVURJKSA-N 2 1 362.522 0.965 20 0 FCADMP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290881080 1262527103 /nfs/dbraw/zinc/52/71/03/1262527103.db2.gz OLGYPJLXXSLPNY-MRXNPFEDSA-N 2 1 364.494 0.218 20 0 FCADMP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290881080 1262527106 /nfs/dbraw/zinc/52/71/06/1262527106.db2.gz OLGYPJLXXSLPNY-MRXNPFEDSA-N 2 1 364.494 0.218 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)CC[NH+]2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001294912366 1262751341 /nfs/dbraw/zinc/75/13/41/1262751341.db2.gz JWXSBSSVGIAOAP-OIISXLGYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)CC[NH+]2CCOCC2)C2CC2)CC[N@H+]1C ZINC001294912366 1262751344 /nfs/dbraw/zinc/75/13/44/1262751344.db2.gz JWXSBSSVGIAOAP-OIISXLGYSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001312055407 1263270576 /nfs/dbraw/zinc/27/05/76/1263270576.db2.gz PMWIOFQNDXUNDJ-JENIJYKNSA-N 2 1 368.522 0.776 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001479670571 1263330582 /nfs/dbraw/zinc/33/05/82/1263330582.db2.gz YDOPISQJTOCKSL-SOLBZPMBSA-N 2 1 352.523 0.831 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC2)ccc1N1CC[NH+](C)CC1 ZINC001320091774 1263762540 /nfs/dbraw/zinc/76/25/40/1263762540.db2.gz YGVRMDLCWIZCQS-UHFFFAOYSA-N 2 1 359.474 0.507 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21)[NH+](C)C ZINC001494476456 1263771251 /nfs/dbraw/zinc/77/12/51/1263771251.db2.gz SRKHRRZRLRADGK-FFRIZKCHSA-N 2 1 350.507 0.486 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC001321498383 1263975195 /nfs/dbraw/zinc/97/51/95/1263975195.db2.gz OEZBXOLUOUZDHU-QAPCUYQASA-N 2 1 373.501 0.761 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC001321498382 1263975403 /nfs/dbraw/zinc/97/54/03/1263975403.db2.gz OEZBXOLUOUZDHU-MAUKXSAKSA-N 2 1 373.501 0.761 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC001321498384 1263975724 /nfs/dbraw/zinc/97/57/24/1263975724.db2.gz OEZBXOLUOUZDHU-YJBOKZPZSA-N 2 1 373.501 0.761 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001321526630 1263983803 /nfs/dbraw/zinc/98/38/03/1263983803.db2.gz ZZRWQEXGXVQVEJ-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001321526630 1263983810 /nfs/dbraw/zinc/98/38/10/1263983810.db2.gz ZZRWQEXGXVQVEJ-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001321526630 1263983818 /nfs/dbraw/zinc/98/38/18/1263983818.db2.gz ZZRWQEXGXVQVEJ-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP CCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001499060193 1264001912 /nfs/dbraw/zinc/00/19/12/1264001912.db2.gz ISYQUQLAYOSRPV-LPHOPBHVSA-N 2 1 362.522 0.972 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC001322316703 1264181378 /nfs/dbraw/zinc/18/13/78/1264181378.db2.gz ZOPJKGRWCGZWDU-AWEZNQCLSA-N 2 1 365.478 0.171 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001322598952 1264227743 /nfs/dbraw/zinc/22/77/43/1264227743.db2.gz WGDLITDUYNYUEI-IRXDYDNUSA-N 2 1 366.506 0.299 20 0 FCADMP COCC1=CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001322993747 1264311506 /nfs/dbraw/zinc/31/15/06/1264311506.db2.gz OGUQFVARHLAJAT-MRXNPFEDSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580401944 1278231195 /nfs/dbraw/zinc/23/11/95/1278231195.db2.gz DLZHHHSUPYWHNQ-XJKCOSOUSA-N 2 1 357.462 0.801 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@@H]1n1ccnc1 ZINC001324907602 1264733892 /nfs/dbraw/zinc/73/38/92/1264733892.db2.gz SPRHKNCKBWJTST-IKGGRYGDSA-N 2 1 359.474 0.989 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580404195 1278236944 /nfs/dbraw/zinc/23/69/44/1278236944.db2.gz WIIZFUIKMWHGDD-DGCLKSJQSA-N 2 1 361.425 0.552 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC001325665578 1264964538 /nfs/dbraw/zinc/96/45/38/1264964538.db2.gz FRGCDRSXYHYBPM-SFHVURJKSA-N 2 1 361.490 0.303 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001326591866 1265138297 /nfs/dbraw/zinc/13/82/97/1265138297.db2.gz PCYKJLAZWNDGHH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1C(=O)COc2ccccc21 ZINC001327264502 1265270363 /nfs/dbraw/zinc/27/03/63/1265270363.db2.gz NRSQIHZSAXZOBE-UHFFFAOYSA-N 2 1 361.446 0.248 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001332673679 1266459113 /nfs/dbraw/zinc/45/91/13/1266459113.db2.gz XXMNRTZHBKUHSA-WFXMLNOXSA-N 2 1 370.497 0.965 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333197990 1266553648 /nfs/dbraw/zinc/55/36/48/1266553648.db2.gz LVMFSWSVIXDOLR-UHFFFAOYSA-N 2 1 354.458 0.999 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001333197990 1266553654 /nfs/dbraw/zinc/55/36/54/1266553654.db2.gz LVMFSWSVIXDOLR-UHFFFAOYSA-N 2 1 354.458 0.999 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001333634633 1266659296 /nfs/dbraw/zinc/65/92/96/1266659296.db2.gz JODQIQBBLSWBQS-CVEARBPZSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006133 1266774459 /nfs/dbraw/zinc/77/44/59/1266774459.db2.gz SNBAOXIKCLOLFB-YYIAUSFCSA-N 2 1 350.507 0.953 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001334480114 1267027618 /nfs/dbraw/zinc/02/76/18/1267027618.db2.gz YFUKQYWXSOTEDB-QGZVFWFLSA-N 2 1 362.526 0.374 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001334480114 1267027627 /nfs/dbraw/zinc/02/76/27/1267027627.db2.gz YFUKQYWXSOTEDB-QGZVFWFLSA-N 2 1 362.526 0.374 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001334480114 1267027638 /nfs/dbraw/zinc/02/76/38/1267027638.db2.gz YFUKQYWXSOTEDB-QGZVFWFLSA-N 2 1 362.526 0.374 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001534377271 1267260028 /nfs/dbraw/zinc/26/00/28/1267260028.db2.gz MRFZTKSKPUGZJQ-JJRVBVJISA-N 2 1 370.457 0.842 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001534377271 1267260036 /nfs/dbraw/zinc/26/00/36/1267260036.db2.gz MRFZTKSKPUGZJQ-JJRVBVJISA-N 2 1 370.457 0.842 20 0 FCADMP Cn1nccc1[C@H]1OCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001548368840 1267689099 /nfs/dbraw/zinc/68/90/99/1267689099.db2.gz KOIZXJNBOOOTFT-WBVHZDCISA-N 2 1 357.462 0.582 20 0 FCADMP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001548489081 1267727136 /nfs/dbraw/zinc/72/71/36/1267727136.db2.gz YARGQAFQMRUNBB-OKZBNKHCSA-N 2 1 353.507 0.791 20 0 FCADMP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001548489081 1267727138 /nfs/dbraw/zinc/72/71/38/1267727138.db2.gz YARGQAFQMRUNBB-OKZBNKHCSA-N 2 1 353.507 0.791 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001549033428 1267792737 /nfs/dbraw/zinc/79/27/37/1267792737.db2.gz IZSSTQWKISBBKR-FGTMMUONSA-N 2 1 363.506 0.810 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001549034510 1267792748 /nfs/dbraw/zinc/79/27/48/1267792748.db2.gz NMSZZKQRROGCSQ-ILMPWQCYSA-N 2 1 363.506 0.807 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001549034510 1267792753 /nfs/dbraw/zinc/79/27/53/1267792753.db2.gz NMSZZKQRROGCSQ-ILMPWQCYSA-N 2 1 363.506 0.807 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])cn1 ZINC001549034822 1267793069 /nfs/dbraw/zinc/79/30/69/1267793069.db2.gz SHEJDBJTTZOJRA-WDSOQIARSA-N 2 1 368.485 0.980 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001549125747 1267817435 /nfs/dbraw/zinc/81/74/35/1267817435.db2.gz PTGVHDIFRQMLML-MRHSLFKSSA-N 2 1 361.490 0.497 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549210620 1267857585 /nfs/dbraw/zinc/85/75/85/1267857585.db2.gz FSPZUTSAJLFMJQ-HRCADAONSA-N 2 1 352.479 0.308 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549210622 1267857626 /nfs/dbraw/zinc/85/76/26/1267857626.db2.gz FSPZUTSAJLFMJQ-JYJNAYRXSA-N 2 1 352.479 0.308 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC001549302469 1267897432 /nfs/dbraw/zinc/89/74/32/1267897432.db2.gz ZNDXEZMPYTXTQD-OAGGEKHMSA-N 2 1 374.489 0.576 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC001550093979 1268073149 /nfs/dbraw/zinc/07/31/49/1268073149.db2.gz DDWRUVLNYDRPRD-IRXDYDNUSA-N 2 1 355.446 0.570 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC001550093979 1268073157 /nfs/dbraw/zinc/07/31/57/1268073157.db2.gz DDWRUVLNYDRPRD-IRXDYDNUSA-N 2 1 355.446 0.570 20 0 FCADMP O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550265698 1268100302 /nfs/dbraw/zinc/10/03/02/1268100302.db2.gz KRRSPUKURBCOII-ALOPSCKCSA-N 2 1 366.506 0.698 20 0 FCADMP [NH3+]CC1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001550265031 1268100524 /nfs/dbraw/zinc/10/05/24/1268100524.db2.gz LHUXGWMSSWZEJN-UHFFFAOYSA-N 2 1 354.495 0.685 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC001550539942 1268129786 /nfs/dbraw/zinc/12/97/86/1268129786.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC001550539942 1268129793 /nfs/dbraw/zinc/12/97/93/1268129793.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC001550539942 1268129796 /nfs/dbraw/zinc/12/97/96/1268129796.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 2 1 352.523 0.343 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539811 1268130141 /nfs/dbraw/zinc/13/01/41/1268130141.db2.gz MHIJSNGRLMIADJ-HZPDHXFCSA-N 2 1 360.458 0.448 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539811 1268130144 /nfs/dbraw/zinc/13/01/44/1268130144.db2.gz MHIJSNGRLMIADJ-HZPDHXFCSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539811 1268130147 /nfs/dbraw/zinc/13/01/47/1268130147.db2.gz MHIJSNGRLMIADJ-HZPDHXFCSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539811 1268130149 /nfs/dbraw/zinc/13/01/49/1268130149.db2.gz MHIJSNGRLMIADJ-HZPDHXFCSA-N 2 1 360.458 0.448 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC001338983805 1268138936 /nfs/dbraw/zinc/13/89/36/1268138936.db2.gz SUNFFHJKDNCDOA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001338983805 1268138940 /nfs/dbraw/zinc/13/89/40/1268138940.db2.gz SUNFFHJKDNCDOA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001338983805 1268138946 /nfs/dbraw/zinc/13/89/46/1268138946.db2.gz SUNFFHJKDNCDOA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@@H+]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@]2(C)C1 ZINC001550656750 1268145519 /nfs/dbraw/zinc/14/55/19/1268145519.db2.gz XZSYVOQJBIBDCW-SJLPKXTDSA-N 2 1 366.506 0.461 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@]2(C)C1 ZINC001550656750 1268145523 /nfs/dbraw/zinc/14/55/23/1268145523.db2.gz XZSYVOQJBIBDCW-SJLPKXTDSA-N 2 1 366.506 0.461 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001550727998 1268157543 /nfs/dbraw/zinc/15/75/43/1268157543.db2.gz XEUUGDWGAABRPH-YDZRNGNQSA-N 2 1 359.470 0.831 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001550727998 1268157548 /nfs/dbraw/zinc/15/75/48/1268157548.db2.gz XEUUGDWGAABRPH-YDZRNGNQSA-N 2 1 359.470 0.831 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001550732266 1268158112 /nfs/dbraw/zinc/15/81/12/1268158112.db2.gz RGXGXCYLVVDTQR-HZPDHXFCSA-N 2 1 354.495 0.685 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1CC[NH3+] ZINC001550730785 1268158315 /nfs/dbraw/zinc/15/83/15/1268158315.db2.gz JBCNBWVQYJPIHI-CVEARBPZSA-N 2 1 354.495 0.494 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]C[C@H]2F)C1 ZINC001550752740 1268162153 /nfs/dbraw/zinc/16/21/53/1268162153.db2.gz VRBABNAVJMSNEF-ZACQAIPSSA-N 2 1 350.438 0.805 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]C[C@H]2F)C1 ZINC001550752740 1268162156 /nfs/dbraw/zinc/16/21/56/1268162156.db2.gz VRBABNAVJMSNEF-ZACQAIPSSA-N 2 1 350.438 0.805 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[N@@H+](C)C1 ZINC001550762515 1268164877 /nfs/dbraw/zinc/16/48/77/1268164877.db2.gz POSYPHWMEAIJQA-HRCADAONSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@@H](C)[NH+]1CCO ZINC001550979696 1268187622 /nfs/dbraw/zinc/18/76/22/1268187622.db2.gz CLAMSNCWWRHSQK-INMHGKMJSA-N 2 1 354.495 0.336 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001551463211 1268256998 /nfs/dbraw/zinc/25/69/98/1268256998.db2.gz FEJADWZRJWWXAO-HUUCEWRRSA-N 2 1 354.495 0.290 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464165 1268257076 /nfs/dbraw/zinc/25/70/76/1268257076.db2.gz CADGOOJMOOGVLN-JKSUJKDBSA-N 2 1 354.495 0.555 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464158 1268257218 /nfs/dbraw/zinc/25/72/18/1268257218.db2.gz CADGOOJMOOGVLN-HOTGVXAUSA-N 2 1 354.495 0.555 20 0 FCADMP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001551468858 1268257926 /nfs/dbraw/zinc/25/79/26/1268257926.db2.gz UUBGDTZCKJHCTF-RTBURBONSA-N 2 1 373.501 0.052 20 0 FCADMP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001551489322 1268261427 /nfs/dbraw/zinc/26/14/27/1268261427.db2.gz BWQZYLLAZSXYMR-YVTWGWGSSA-N 2 1 372.469 0.703 20 0 FCADMP C[C@H](NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[C@H]1C[N@H+](C)CCO1 ZINC001551540382 1268263696 /nfs/dbraw/zinc/26/36/96/1268263696.db2.gz HBJHFHOBMJVPMQ-XCCSTKFXSA-N 2 1 350.385 0.547 20 0 FCADMP C[C@H](NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[C@H]1C[N@@H+](C)CCO1 ZINC001551540382 1268263700 /nfs/dbraw/zinc/26/37/00/1268263700.db2.gz HBJHFHOBMJVPMQ-XCCSTKFXSA-N 2 1 350.385 0.547 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)CC[C@@H]21 ZINC001551556015 1268267735 /nfs/dbraw/zinc/26/77/35/1268267735.db2.gz QWRANLBMFDSEPN-CBZIJGRNSA-N 2 1 363.506 0.369 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551557852 1268269933 /nfs/dbraw/zinc/26/99/33/1268269933.db2.gz XAFARQWOWFSCFU-BQFCYCMXSA-N 2 1 365.522 0.615 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551588777 1268279837 /nfs/dbraw/zinc/27/98/37/1268279837.db2.gz GJJMOOTUWMVDGE-GMLZMKKNSA-N 2 1 363.506 0.415 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551586747 1268279955 /nfs/dbraw/zinc/27/99/55/1268279955.db2.gz HGFJYNACHPTGFF-QCTRZYONSA-N 2 1 358.490 0.771 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)C1 ZINC001551595377 1268281677 /nfs/dbraw/zinc/28/16/77/1268281677.db2.gz UBPWZYIDSDBQHS-ISXWCOSWSA-N 2 1 365.522 0.303 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)C1 ZINC001551595392 1268282281 /nfs/dbraw/zinc/28/22/81/1268282281.db2.gz UBPWZYIDSDBQHS-VZDIDWBNSA-N 2 1 365.522 0.303 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001552095465 1268371676 /nfs/dbraw/zinc/37/16/76/1268371676.db2.gz HIIJGEJXDPBHQM-ZACQAIPSSA-N 2 1 364.494 0.213 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)n1 ZINC001552111542 1268378042 /nfs/dbraw/zinc/37/80/42/1268378042.db2.gz RJWWNCVWAAGOCU-RRFJBIMHSA-N 2 1 350.467 0.554 20 0 FCADMP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]Cc3ccccc32)nn1 ZINC001552162506 1268396787 /nfs/dbraw/zinc/39/67/87/1268396787.db2.gz APKIZDBUIUSPFA-PBHICJAKSA-N 2 1 356.430 0.116 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC001552167470 1268400032 /nfs/dbraw/zinc/40/00/32/1268400032.db2.gz MUROSBFFFITUTQ-SNRMKQJTSA-N 2 1 374.533 0.316 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cnn1C ZINC001552167470 1268400036 /nfs/dbraw/zinc/40/00/36/1268400036.db2.gz MUROSBFFFITUTQ-SNRMKQJTSA-N 2 1 374.533 0.316 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)cn1 ZINC001552173202 1268401794 /nfs/dbraw/zinc/40/17/94/1268401794.db2.gz DLGUCSSQHXDACU-ARFHVFGLSA-N 2 1 350.467 0.554 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552201426 1268408118 /nfs/dbraw/zinc/40/81/18/1268408118.db2.gz WABALHHKDBQEDA-AZUAARDMSA-N 2 1 358.486 0.286 20 0 FCADMP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203357 1268409400 /nfs/dbraw/zinc/40/94/00/1268409400.db2.gz BAKMQMNZYFOORX-OXJNMPFZSA-N 2 1 373.501 0.819 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)C[C@H](C)O1 ZINC001552283484 1268431941 /nfs/dbraw/zinc/43/19/41/1268431941.db2.gz STLBQZHIQPIIEJ-SOLBZPMBSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283514 1268432093 /nfs/dbraw/zinc/43/20/93/1268432093.db2.gz SYIRBWDCJZXJSZ-HIRMHNASSA-N 2 1 351.491 0.570 20 0 FCADMP Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001340102710 1268435327 /nfs/dbraw/zinc/43/53/27/1268435327.db2.gz CSRKOJWTUAFPRV-INIZCTEOSA-N 2 1 361.538 0.841 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552297178 1268435624 /nfs/dbraw/zinc/43/56/24/1268435624.db2.gz LYHNPQDAIZVBMU-MJGOQNOKSA-N 2 1 358.486 0.912 20 0 FCADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001340106349 1268437548 /nfs/dbraw/zinc/43/75/48/1268437548.db2.gz SBJRZFBBBZBGQS-ILZDJORESA-N 2 1 361.486 0.897 20 0 FCADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001340106349 1268437554 /nfs/dbraw/zinc/43/75/54/1268437554.db2.gz SBJRZFBBBZBGQS-ILZDJORESA-N 2 1 361.486 0.897 20 0 FCADMP [NH3+]CCNCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001340111391 1268438820 /nfs/dbraw/zinc/43/88/20/1268438820.db2.gz APZNYDXPKPTQLI-UHFFFAOYSA-N 2 1 353.898 0.517 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001340122009 1268443181 /nfs/dbraw/zinc/44/31/81/1268443181.db2.gz QLBDBFQDKDWRNA-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001340191801 1268466142 /nfs/dbraw/zinc/46/61/42/1268466142.db2.gz VEPWMYPNMYVSBY-KRWDZBQOSA-N 2 1 359.474 0.306 20 0 FCADMP C[C@@H]1C[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001340206265 1268470537 /nfs/dbraw/zinc/47/05/37/1268470537.db2.gz QHYWKJYTVYGABJ-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC001552708602 1268528791 /nfs/dbraw/zinc/52/87/91/1268528791.db2.gz XFBZSWOIAUQXGF-DLBZAZTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC001552708602 1268528801 /nfs/dbraw/zinc/52/88/01/1268528801.db2.gz XFBZSWOIAUQXGF-DLBZAZTESA-N 2 1 361.490 0.687 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552711336 1268529867 /nfs/dbraw/zinc/52/98/67/1268529867.db2.gz YBFQGOZIIPMOKQ-IKGGRYGDSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001552711336 1268529876 /nfs/dbraw/zinc/52/98/76/1268529876.db2.gz YBFQGOZIIPMOKQ-IKGGRYGDSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552711336 1268529881 /nfs/dbraw/zinc/52/98/81/1268529881.db2.gz YBFQGOZIIPMOKQ-IKGGRYGDSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552711336 1268529887 /nfs/dbraw/zinc/52/98/87/1268529887.db2.gz YBFQGOZIIPMOKQ-IKGGRYGDSA-N 2 1 361.490 0.686 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552711934 1268530337 /nfs/dbraw/zinc/53/03/37/1268530337.db2.gz LPUPTJVHBUFMGD-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001552711934 1268530341 /nfs/dbraw/zinc/53/03/41/1268530341.db2.gz LPUPTJVHBUFMGD-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552912474 1268565175 /nfs/dbraw/zinc/56/51/75/1268565175.db2.gz AFQJIBBNAPDIAA-BZUAXINKSA-N 2 1 361.490 0.719 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[N@H+](C)CC4)CC2)cs1 ZINC001553348610 1268634940 /nfs/dbraw/zinc/63/49/40/1268634940.db2.gz OQSPLIOSGOBBCE-MAUKXSAKSA-N 2 1 363.531 0.637 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[N@@H+](C)CC4)CC2)cs1 ZINC001553348610 1268634947 /nfs/dbraw/zinc/63/49/47/1268634947.db2.gz OQSPLIOSGOBBCE-MAUKXSAKSA-N 2 1 363.531 0.637 20 0 FCADMP Cc1c(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359519 1268637928 /nfs/dbraw/zinc/63/79/28/1268637928.db2.gz LWRIZGIWGLQGBH-YWZLYKJASA-N 2 1 369.469 0.964 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553370157 1268638968 /nfs/dbraw/zinc/63/89/68/1268638968.db2.gz OYNBFPLMLQHXEE-YLJYHZDGSA-N 2 1 356.470 0.512 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553370157 1268638975 /nfs/dbraw/zinc/63/89/75/1268638975.db2.gz OYNBFPLMLQHXEE-YLJYHZDGSA-N 2 1 356.470 0.512 20 0 FCADMP CN(C)C(=O)COc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553389185 1268642183 /nfs/dbraw/zinc/64/21/83/1268642183.db2.gz KAUWLWXANCQDDE-AUUYWEPGSA-N 2 1 360.458 0.633 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@H]2C1 ZINC001553392561 1268642772 /nfs/dbraw/zinc/64/27/72/1268642772.db2.gz XYTLIKYKVORFKZ-JXFKEZNVSA-N 2 1 372.469 0.639 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553412976 1268647728 /nfs/dbraw/zinc/64/77/28/1268647728.db2.gz PBJOYUGTZLFYGN-SQNIBIBYSA-N 2 1 372.469 0.922 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)C[C@H](C)O1 ZINC001553430473 1268648420 /nfs/dbraw/zinc/64/84/20/1268648420.db2.gz MUIAENZGICEEDM-YFUQURRKSA-N 2 1 351.491 0.854 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@]([NH3+])(c3ccccc3)C2)CC1 ZINC001553426773 1268649331 /nfs/dbraw/zinc/64/93/31/1268649331.db2.gz LRPCCUPYJCCQLD-IBGZPJMESA-N 2 1 359.474 0.420 20 0 FCADMP Cn1cnc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]2[NH3+])c1 ZINC001553435717 1268650450 /nfs/dbraw/zinc/65/04/50/1268650450.db2.gz LULDSSMQXPZIQB-LSDHHAIUSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cnc([C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]2[NH3+])c1 ZINC001553435717 1268650454 /nfs/dbraw/zinc/65/04/54/1268650454.db2.gz LULDSSMQXPZIQB-LSDHHAIUSA-N 2 1 374.514 0.976 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449589 1268651563 /nfs/dbraw/zinc/65/15/63/1268651563.db2.gz GQSYJAHYZJJDMA-RDJZCZTQSA-N 2 1 365.522 0.304 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449589 1268651568 /nfs/dbraw/zinc/65/15/68/1268651568.db2.gz GQSYJAHYZJJDMA-RDJZCZTQSA-N 2 1 365.522 0.304 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553455503 1268654923 /nfs/dbraw/zinc/65/49/23/1268654923.db2.gz YLSKMSZJFMTXDO-KZNAEPCWSA-N 2 1 365.522 0.176 20 0 FCADMP Cn1nnc2c1C[C@@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC[NH2+]CC1)CC2 ZINC001553539097 1268666276 /nfs/dbraw/zinc/66/62/76/1268666276.db2.gz RSEDXRRVVZKULB-CWRNSKLLSA-N 2 1 373.505 0.283 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2C[NH2+]1 ZINC001340825569 1268672051 /nfs/dbraw/zinc/67/20/51/1268672051.db2.gz KMAACRKMEAFCRY-CYBMUJFWSA-N 2 1 370.457 0.919 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)cc2)n[nH]1 ZINC001554035218 1268745274 /nfs/dbraw/zinc/74/52/74/1268745274.db2.gz GAGKKMCBTUULOS-LBPRGKRZSA-N 2 1 353.390 0.309 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001341117987 1268792181 /nfs/dbraw/zinc/79/21/81/1268792181.db2.gz CBJFJTRITKNEAM-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOCC1 ZINC001341399283 1268974274 /nfs/dbraw/zinc/97/42/74/1268974274.db2.gz CTEVNRVYJWZLPW-BZUAXINKSA-N 2 1 351.491 0.890 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001341685904 1269151178 /nfs/dbraw/zinc/15/11/78/1269151178.db2.gz ZQQIJBJOQPLRFC-DOTOQJQBSA-N 2 1 359.474 0.226 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001341718052 1269167245 /nfs/dbraw/zinc/16/72/45/1269167245.db2.gz ZIBVHSLDMFODSF-KRWDZBQOSA-N 2 1 352.454 0.863 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001559915735 1269181044 /nfs/dbraw/zinc/18/10/44/1269181044.db2.gz YQPAMAWNECTYSM-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001559915735 1269181048 /nfs/dbraw/zinc/18/10/48/1269181048.db2.gz YQPAMAWNECTYSM-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](O)[C@@H](CO)C1 ZINC001559915735 1269181054 /nfs/dbraw/zinc/18/10/54/1269181054.db2.gz YQPAMAWNECTYSM-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](O)[C@@H](CO)C1 ZINC001559915735 1269181059 /nfs/dbraw/zinc/18/10/59/1269181059.db2.gz YQPAMAWNECTYSM-OWYHZJEWSA-N 2 1 361.486 0.441 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CSCC[NH2+]2)CC1=O ZINC001341897762 1269257432 /nfs/dbraw/zinc/25/74/32/1269257432.db2.gz NLYQQLKXAZQBCA-ARFHVFGLSA-N 2 1 368.547 0.531 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001566053355 1269586448 /nfs/dbraw/zinc/58/64/48/1269586448.db2.gz ZNGXWDRTVUFOJS-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001566053355 1269586454 /nfs/dbraw/zinc/58/64/54/1269586454.db2.gz ZNGXWDRTVUFOJS-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001566053355 1269586462 /nfs/dbraw/zinc/58/64/62/1269586462.db2.gz ZNGXWDRTVUFOJS-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CN(CC1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001342784868 1269609232 /nfs/dbraw/zinc/60/92/32/1269609232.db2.gz XTONEMPUDMXBEE-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@H]1OC ZINC001343015205 1269732044 /nfs/dbraw/zinc/73/20/44/1269732044.db2.gz SBHUMFWMLIXRJU-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1OC ZINC001343015205 1269732049 /nfs/dbraw/zinc/73/20/49/1269732049.db2.gz SBHUMFWMLIXRJU-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1OC ZINC001343015205 1269732053 /nfs/dbraw/zinc/73/20/53/1269732053.db2.gz SBHUMFWMLIXRJU-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001343133091 1269788327 /nfs/dbraw/zinc/78/83/27/1269788327.db2.gz GQUUPPSULSEGFM-UHFFFAOYSA-N 2 1 366.510 0.502 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](O)[C@@H](CO)C3)CC2)CC1 ZINC001570401647 1269876300 /nfs/dbraw/zinc/87/63/00/1269876300.db2.gz KNWVEBJHMIZXNH-AEFFLSMTSA-N 2 1 353.507 0.384 20 0 FCADMP CC[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001343443664 1269910719 /nfs/dbraw/zinc/91/07/19/1269910719.db2.gz CISMTWAAZCGMAA-IPMKNSEASA-N 2 1 360.502 0.686 20 0 FCADMP CC[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001343443664 1269910724 /nfs/dbraw/zinc/91/07/24/1269910724.db2.gz CISMTWAAZCGMAA-IPMKNSEASA-N 2 1 360.502 0.686 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C1([NH+](C)C)CCC1 ZINC001572539094 1270091406 /nfs/dbraw/zinc/09/14/06/1270091406.db2.gz BIRSFYNQQDLSRO-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(NC[C@]1(O)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001580635366 1278596082 /nfs/dbraw/zinc/59/60/82/1278596082.db2.gz NLXGMUGCIDUZEG-WBVHZDCISA-N 2 1 353.413 0.984 20 0 FCADMP CC(C)[C@@H](C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974532 1270968214 /nfs/dbraw/zinc/96/82/14/1270968214.db2.gz OPQNMLYLEZFGGL-BBRMVZONSA-N 2 1 372.477 0.885 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574253557 1271123240 /nfs/dbraw/zinc/12/32/40/1271123240.db2.gz WDCQFOWFMRAAGA-ZDUSSCGKSA-N 2 1 358.450 0.427 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285245 1271158749 /nfs/dbraw/zinc/15/87/49/1271158749.db2.gz XTXALGYJBXUNEX-XJKSGUPXSA-N 2 1 370.461 0.829 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285245 1271158753 /nfs/dbraw/zinc/15/87/53/1271158753.db2.gz XTXALGYJBXUNEX-XJKSGUPXSA-N 2 1 370.461 0.829 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289054 1271165041 /nfs/dbraw/zinc/16/50/41/1271165041.db2.gz VHPAIHUBHIIYFO-DOMZBBRYSA-N 2 1 358.450 0.473 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595717 1271396447 /nfs/dbraw/zinc/39/64/47/1271396447.db2.gz FVVVGCCRYOPHEA-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+](C)C ZINC001574778126 1271508295 /nfs/dbraw/zinc/50/82/95/1271508295.db2.gz CDAJVBIFERDTRX-LBPRGKRZSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+](C)C ZINC001574778126 1271508301 /nfs/dbraw/zinc/50/83/01/1271508301.db2.gz CDAJVBIFERDTRX-LBPRGKRZSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574781478 1271516763 /nfs/dbraw/zinc/51/67/63/1271516763.db2.gz KVMZCABIZYOVRQ-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574781478 1271516773 /nfs/dbraw/zinc/51/67/73/1271516773.db2.gz KVMZCABIZYOVRQ-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574781478 1271516777 /nfs/dbraw/zinc/51/67/77/1271516777.db2.gz KVMZCABIZYOVRQ-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870928 1271621557 /nfs/dbraw/zinc/62/15/57/1271621557.db2.gz FHYKICNVBAWSLC-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877303 1271635428 /nfs/dbraw/zinc/63/54/28/1271635428.db2.gz QUKRLZYZGHUSRO-YPMHNXCESA-N 2 1 361.425 0.552 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886025 1271644921 /nfs/dbraw/zinc/64/49/21/1271644921.db2.gz LYYGDYZXFNGARY-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886025 1271644931 /nfs/dbraw/zinc/64/49/31/1271644931.db2.gz LYYGDYZXFNGARY-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886025 1271644941 /nfs/dbraw/zinc/64/49/41/1271644941.db2.gz LYYGDYZXFNGARY-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886025 1271644951 /nfs/dbraw/zinc/64/49/51/1271644951.db2.gz LYYGDYZXFNGARY-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895994 1271656846 /nfs/dbraw/zinc/65/68/46/1271656846.db2.gz BESAWWYZLIXICE-VXGBXAGGSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896184 1271659333 /nfs/dbraw/zinc/65/93/33/1271659333.db2.gz BVXAPDGDLQKCSX-HIFRSBDPSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC001575062161 1271704742 /nfs/dbraw/zinc/70/47/42/1271704742.db2.gz INIBDTNQPFUHAD-CRAIPNDOSA-N 2 1 358.486 0.343 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575115957 1271728107 /nfs/dbraw/zinc/72/81/07/1271728107.db2.gz UAGTXRTWGWELCV-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575161051 1271757878 /nfs/dbraw/zinc/75/78/78/1271757878.db2.gz URVBQJICFUVCCH-LSDHHAIUSA-N 2 1 352.479 0.938 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566659 1272203660 /nfs/dbraw/zinc/20/36/60/1272203660.db2.gz LEVLMSKUBYQHLT-CVEARBPZSA-N 2 1 364.494 0.144 20 0 FCADMP C[C@@H]([NH2+]CCc1c[nH]nn1)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689951 1272302260 /nfs/dbraw/zinc/30/22/60/1272302260.db2.gz JLTHOIPGWWSGOV-PBHICJAKSA-N 2 1 364.494 0.285 20 0 FCADMP CC[C@H](C(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001576176524 1272976292 /nfs/dbraw/zinc/97/62/92/1272976292.db2.gz VZKIOXNHILNZPC-MRXNPFEDSA-N 2 1 352.483 0.584 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576486719 1273334344 /nfs/dbraw/zinc/33/43/44/1273334344.db2.gz ZRXOJCDZUUMKQP-HNNXBMFYSA-N 2 1 364.494 0.682 20 0 FCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498132 1273358531 /nfs/dbraw/zinc/35/85/31/1273358531.db2.gz JOJWDCRLBBXWEC-GOEBONIOSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@]1([NH+]2CCOCC2)CCN(c2nnc([C@@H]3CCOC3)n2CCC[NH3+])C1 ZINC001576534523 1273420900 /nfs/dbraw/zinc/42/09/00/1273420900.db2.gz GFCOHEKXALEYDI-QAPCUYQASA-N 2 1 364.494 0.432 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576585672 1273464497 /nfs/dbraw/zinc/46/44/97/1273464497.db2.gz FGMZCIJURRNNMX-GDBMZVCRSA-N 2 1 361.450 0.005 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576586494 1273465936 /nfs/dbraw/zinc/46/59/36/1273465936.db2.gz QSEMCCYJYPMCET-ZMSDIMECSA-N 2 1 364.494 0.142 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576586494 1273465939 /nfs/dbraw/zinc/46/59/39/1273465939.db2.gz QSEMCCYJYPMCET-ZMSDIMECSA-N 2 1 364.494 0.142 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576586494 1273465944 /nfs/dbraw/zinc/46/59/44/1273465944.db2.gz QSEMCCYJYPMCET-ZMSDIMECSA-N 2 1 364.494 0.142 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001576605953 1273475890 /nfs/dbraw/zinc/47/58/90/1273475890.db2.gz NUWLSWJKRRRHMX-BLNMRFBMSA-N 2 1 351.495 0.591 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715115 1273585626 /nfs/dbraw/zinc/58/56/26/1273585626.db2.gz SFFDZYRYDGYZMK-KFWWJZLASA-N 2 1 361.494 0.512 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4cn[nH]n4)C[C@@H]3C2)C1 ZINC001576748490 1273619274 /nfs/dbraw/zinc/61/92/74/1273619274.db2.gz XUBFTSPRQHBVFC-LISAXSMJSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748490 1273619282 /nfs/dbraw/zinc/61/92/82/1273619282.db2.gz XUBFTSPRQHBVFC-LISAXSMJSA-N 2 1 360.506 0.858 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4c[nH]nn4)C[C@@H]3C2)C1 ZINC001576748490 1273619289 /nfs/dbraw/zinc/61/92/89/1273619289.db2.gz XUBFTSPRQHBVFC-LISAXSMJSA-N 2 1 360.506 0.858 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792449 1273693643 /nfs/dbraw/zinc/69/36/43/1273693643.db2.gz VFLQTVQNDLROBD-BBRMVZONSA-N 2 1 372.477 0.783 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)C[C@H](C)O1 ZINC001576801708 1273707719 /nfs/dbraw/zinc/70/77/19/1273707719.db2.gz UFEXDHVCOMCBIL-JTDSTZFVSA-N 2 1 353.507 0.887 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001576800565 1273708181 /nfs/dbraw/zinc/70/81/81/1273708181.db2.gz KGTCEUCOBPZLLR-CABCVRRESA-N 2 1 354.495 0.901 20 0 FCADMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806597 1273715776 /nfs/dbraw/zinc/71/57/76/1273715776.db2.gz NWSQQGSRNCQNQZ-ZIAGYGMSSA-N 2 1 372.477 0.865 20 0 FCADMP CN(CCC[NH2+]CCc1c[nH]nn1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001576809732 1273723457 /nfs/dbraw/zinc/72/34/57/1273723457.db2.gz KTRXKCRAINUSJJ-UHFFFAOYSA-N 2 1 352.483 0.144 20 0 FCADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823437 1273745778 /nfs/dbraw/zinc/74/57/78/1273745778.db2.gz MNARFOGCLCTFGQ-TZMCWYRMSA-N 2 1 372.477 0.641 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[NH+]2CCSCC2)CCO1 ZINC001576846837 1273789949 /nfs/dbraw/zinc/78/99/49/1273789949.db2.gz XUGFPULAKWSBGJ-CABCVRRESA-N 2 1 366.535 0.977 20 0 FCADMP C[N@@H+](CCc1c[nH]nn1)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883396 1273866019 /nfs/dbraw/zinc/86/60/19/1273866019.db2.gz MONGACFSLWHERC-MRXNPFEDSA-N 2 1 364.494 0.381 20 0 FCADMP C[N@H+](CCc1cn[nH]n1)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883396 1273866031 /nfs/dbraw/zinc/86/60/31/1273866031.db2.gz MONGACFSLWHERC-MRXNPFEDSA-N 2 1 364.494 0.381 20 0 FCADMP C[N@@H+](CCc1cn[nH]n1)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883396 1273866040 /nfs/dbraw/zinc/86/60/40/1273866040.db2.gz MONGACFSLWHERC-MRXNPFEDSA-N 2 1 364.494 0.381 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn[nH]2)CC1 ZINC001576902213 1273906031 /nfs/dbraw/zinc/90/60/31/1273906031.db2.gz CQLZJYMFHABRIL-ZACQAIPSSA-N 2 1 362.478 0.385 20 0 FCADMP CC[C@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001576967579 1273991607 /nfs/dbraw/zinc/99/16/07/1273991607.db2.gz SSZYWRWGHUNKGV-VKJFTORMSA-N 2 1 364.494 0.384 20 0 FCADMP CC[C@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001576967579 1273991614 /nfs/dbraw/zinc/99/16/14/1273991614.db2.gz SSZYWRWGHUNKGV-VKJFTORMSA-N 2 1 364.494 0.384 20 0 FCADMP CC[C@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577131922 1274182293 /nfs/dbraw/zinc/18/22/93/1274182293.db2.gz SNRAYSXTNJBFEP-HOTGVXAUSA-N 2 1 357.462 0.598 20 0 FCADMP CC[C@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577131922 1274182295 /nfs/dbraw/zinc/18/22/95/1274182295.db2.gz SNRAYSXTNJBFEP-HOTGVXAUSA-N 2 1 357.462 0.598 20 0 FCADMP CC[C@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577131924 1274182360 /nfs/dbraw/zinc/18/23/60/1274182360.db2.gz SNRAYSXTNJBFEP-JKSUJKDBSA-N 2 1 357.462 0.598 20 0 FCADMP CC[C@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577131924 1274182364 /nfs/dbraw/zinc/18/23/64/1274182364.db2.gz SNRAYSXTNJBFEP-JKSUJKDBSA-N 2 1 357.462 0.598 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@@H+](CCc1cn[nH]n1)C2 ZINC001577189722 1274238048 /nfs/dbraw/zinc/23/80/48/1274238048.db2.gz PLKFBSJBOPGEHZ-RLLQIKCJSA-N 2 1 372.517 0.859 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@H+](CCc1c[nH]nn1)C2 ZINC001577189722 1274238055 /nfs/dbraw/zinc/23/80/55/1274238055.db2.gz PLKFBSJBOPGEHZ-RLLQIKCJSA-N 2 1 372.517 0.859 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]1(C)C[N@@H+](CCc1c[nH]nn1)C2 ZINC001577189722 1274238061 /nfs/dbraw/zinc/23/80/61/1274238061.db2.gz PLKFBSJBOPGEHZ-RLLQIKCJSA-N 2 1 372.517 0.859 20 0 FCADMP CCCN(C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC[N@@H+](C)C1 ZINC001577488611 1274446313 /nfs/dbraw/zinc/44/63/13/1274446313.db2.gz CBZJHBLHTXDDOD-LSDHHAIUSA-N 2 1 352.479 0.797 20 0 FCADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001577530638 1274474199 /nfs/dbraw/zinc/47/41/99/1274474199.db2.gz MJMSYCVQWWDWOJ-GOEBONIOSA-N 2 1 358.494 0.948 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577551181 1274491850 /nfs/dbraw/zinc/49/18/50/1274491850.db2.gz QBBDRVRCBBVSKB-LRDDRELGSA-N 2 1 372.477 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577556814 1274498468 /nfs/dbraw/zinc/49/84/68/1274498468.db2.gz IRMRFZHLHZZMBV-ZDUSSCGKSA-N 2 1 358.450 0.347 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558219 1274501698 /nfs/dbraw/zinc/50/16/98/1274501698.db2.gz DJJWKROACHNNMR-UKRRQHHQSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561357 1274511094 /nfs/dbraw/zinc/51/10/94/1274511094.db2.gz XPCFXWXPZCTDHF-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561357 1274511097 /nfs/dbraw/zinc/51/10/97/1274511097.db2.gz XPCFXWXPZCTDHF-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577561357 1274511100 /nfs/dbraw/zinc/51/11/00/1274511100.db2.gz XPCFXWXPZCTDHF-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568526 1274526217 /nfs/dbraw/zinc/52/62/17/1274526217.db2.gz SWRHEEHCUMCAFX-XJKSGUPXSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577568244 1274526582 /nfs/dbraw/zinc/52/65/82/1274526582.db2.gz NMPLYFWSQIZQOC-AWEZNQCLSA-N 2 1 374.493 0.983 20 0 FCADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH2+]CCOC)C2)ccn1 ZINC001577654390 1274656709 /nfs/dbraw/zinc/65/67/09/1274656709.db2.gz CCHIQVUHNPUCES-QGZVFWFLSA-N 2 1 350.463 0.749 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667153 1274685199 /nfs/dbraw/zinc/68/51/99/1274685199.db2.gz BGAKDSLUPGZGDD-CJNGLKHVSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577668416 1274689599 /nfs/dbraw/zinc/68/95/99/1274689599.db2.gz KHUGNGSDWPMEOR-INIZCTEOSA-N 2 1 370.461 0.785 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577668416 1274689615 /nfs/dbraw/zinc/68/96/15/1274689615.db2.gz KHUGNGSDWPMEOR-INIZCTEOSA-N 2 1 370.461 0.785 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668842 1274694082 /nfs/dbraw/zinc/69/40/82/1274694082.db2.gz NPNMXXUHPWWOFY-CJNGLKHVSA-N 2 1 372.477 0.783 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672741 1274705894 /nfs/dbraw/zinc/70/58/94/1274705894.db2.gz ADXXCLPKKCDAHU-CJNGLKHVSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673906 1274708539 /nfs/dbraw/zinc/70/85/39/1274708539.db2.gz ZXVDOKPVFCTJJO-BBRMVZONSA-N 2 1 372.477 0.783 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)COC3CC[NH2+]CC3)CC2)CC1 ZINC001577767602 1274854036 /nfs/dbraw/zinc/85/40/36/1274854036.db2.gz MSINIPDMUMBWQY-UHFFFAOYSA-N 2 1 352.523 0.774 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)COC3CC[NH2+]CC3)CC2)CC1 ZINC001577767602 1274854046 /nfs/dbraw/zinc/85/40/46/1274854046.db2.gz MSINIPDMUMBWQY-UHFFFAOYSA-N 2 1 352.523 0.774 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@@H]1C ZINC001577782028 1274876310 /nfs/dbraw/zinc/87/63/10/1274876310.db2.gz SXZLDUCYVKKOKY-YJBOKZPZSA-N 2 1 366.510 0.808 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH2+]C)C[C@H]1C ZINC001577780949 1274876628 /nfs/dbraw/zinc/87/66/28/1274876628.db2.gz HRNZVISHNVIBMV-HUUCEWRRSA-N 2 1 363.510 0.652 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849832 1274987502 /nfs/dbraw/zinc/98/75/02/1274987502.db2.gz ZWZZZYIHYJSZKD-AWEZNQCLSA-N 2 1 372.477 0.949 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577852219 1274997465 /nfs/dbraw/zinc/99/74/65/1274997465.db2.gz MHVPWXAETWGNSR-ZFWWWQNUSA-N 2 1 372.477 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577856379 1275011547 /nfs/dbraw/zinc/01/15/47/1275011547.db2.gz XQCFCENQUUOFIA-UKRRQHHQSA-N 2 1 372.477 0.674 20 0 FCADMP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577860935 1275024304 /nfs/dbraw/zinc/02/43/04/1275024304.db2.gz GWEUDHAFHHOURO-UHFFFAOYSA-N 2 1 362.482 0.057 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862454 1275027238 /nfs/dbraw/zinc/02/72/38/1275027238.db2.gz CCXQIRQETKUSIU-AWEZNQCLSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866114 1275043895 /nfs/dbraw/zinc/04/38/95/1275043895.db2.gz ADKKCFLBPCZLNW-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866114 1275043906 /nfs/dbraw/zinc/04/39/06/1275043906.db2.gz ADKKCFLBPCZLNW-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866114 1275043915 /nfs/dbraw/zinc/04/39/15/1275043915.db2.gz ADKKCFLBPCZLNW-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577866997 1275045986 /nfs/dbraw/zinc/04/59/86/1275045986.db2.gz RGYYSMYQFKCGJM-UHFFFAOYSA-N 2 1 358.450 0.476 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866936 1275047354 /nfs/dbraw/zinc/04/73/54/1275047354.db2.gz PPGSLNZYTSJXPT-AATRIKPKSA-N 2 1 358.450 0.418 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577869600 1275054501 /nfs/dbraw/zinc/05/45/01/1275054501.db2.gz ISZVWVZDKCSYNN-UHFFFAOYSA-N 2 1 372.477 0.997 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578129657 1275428254 /nfs/dbraw/zinc/42/82/54/1275428254.db2.gz KSQNWQGMVUGQJT-JKIFEVAISA-N 2 1 352.483 0.055 20 0 FCADMP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001578139319 1275437925 /nfs/dbraw/zinc/43/79/25/1275437925.db2.gz UPBVYTWNZSNNMW-HZPDHXFCSA-N 2 1 366.510 0.589 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001578142220 1275441409 /nfs/dbraw/zinc/44/14/09/1275441409.db2.gz ORUJRJKOBVVECC-OAHLLOKOSA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001578142219 1275441617 /nfs/dbraw/zinc/44/16/17/1275441617.db2.gz ORUJRJKOBVVECC-HNNXBMFYSA-N 2 1 366.510 0.724 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@H+]1C ZINC001578160094 1275458621 /nfs/dbraw/zinc/45/86/21/1275458621.db2.gz TYNWADAQYBHIRS-XYPHTWIQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578221419 1275521786 /nfs/dbraw/zinc/52/17/86/1275521786.db2.gz WXYLDMPRIIHJHX-ZENOOKHLSA-N 2 1 370.461 0.617 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224543 1275523715 /nfs/dbraw/zinc/52/37/15/1275523715.db2.gz OTBFVZBWFCAZQZ-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224543 1275523719 /nfs/dbraw/zinc/52/37/19/1275523719.db2.gz OTBFVZBWFCAZQZ-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001578311160 1275648872 /nfs/dbraw/zinc/64/88/72/1275648872.db2.gz DGGQZOVISHQYNZ-IAGOWNOFSA-N 2 1 363.554 0.899 20 0 FCADMP CCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001578324399 1275670198 /nfs/dbraw/zinc/67/01/98/1275670198.db2.gz OOHPPTJHRJIMQO-CQSZACIVSA-N 2 1 365.482 0.152 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528122 1275959205 /nfs/dbraw/zinc/95/92/05/1275959205.db2.gz DMMSFJAQQXPOMV-MSOLQXFVSA-N 2 1 356.470 0.638 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528123 1275960113 /nfs/dbraw/zinc/96/01/13/1275960113.db2.gz DMMSFJAQQXPOMV-QZTJIDSGSA-N 2 1 356.470 0.638 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578669245 1276121915 /nfs/dbraw/zinc/12/19/15/1276121915.db2.gz KTYKCAYFUKKLOX-GJZGRUSLSA-N 2 1 372.477 0.480 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578671315 1276123578 /nfs/dbraw/zinc/12/35/78/1276123578.db2.gz INTDTZDCLGZLSU-CRAIPNDOSA-N 2 1 350.511 0.589 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)C1 ZINC001578669919 1276123592 /nfs/dbraw/zinc/12/35/92/1276123592.db2.gz UJYCLHRSBOZUNA-HUUCEWRRSA-N 2 1 363.510 0.615 20 0 FCADMP C[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578731728 1276206800 /nfs/dbraw/zinc/20/68/00/1276206800.db2.gz UGVZAERAZOISEO-INIZCTEOSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578731728 1276206803 /nfs/dbraw/zinc/20/68/03/1276206803.db2.gz UGVZAERAZOISEO-INIZCTEOSA-N 2 1 357.462 0.004 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H](C)C1 ZINC001578807197 1276298652 /nfs/dbraw/zinc/29/86/52/1276298652.db2.gz CXDUZPZEUYMZIZ-BXUZGUMPSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H](C)C1 ZINC001578807197 1276298655 /nfs/dbraw/zinc/29/86/55/1276298655.db2.gz CXDUZPZEUYMZIZ-BXUZGUMPSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001578841181 1276360449 /nfs/dbraw/zinc/36/04/49/1276360449.db2.gz XRQDPXNALMWXEC-JGTCGTHISA-N 2 1 355.454 0.938 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](CCS(=O)(=O)c1ccccc1)C2 ZINC001578842593 1276361396 /nfs/dbraw/zinc/36/13/96/1276361396.db2.gz QBXIDEOTZGSGQO-JKIFEVAISA-N 2 1 352.456 0.673 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](CCS(=O)(=O)c1ccccc1)C2 ZINC001578842593 1276361401 /nfs/dbraw/zinc/36/14/01/1276361401.db2.gz QBXIDEOTZGSGQO-JKIFEVAISA-N 2 1 352.456 0.673 20 0 FCADMP COC(=O)c1csc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578884933 1276416485 /nfs/dbraw/zinc/41/64/85/1276416485.db2.gz GONVXYMOXVUXGE-YUTCNCBUSA-N 2 1 351.428 0.902 20 0 FCADMP COC(=O)c1csc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578884933 1276416488 /nfs/dbraw/zinc/41/64/88/1276416488.db2.gz GONVXYMOXVUXGE-YUTCNCBUSA-N 2 1 351.428 0.902 20 0 FCADMP COC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578898403 1276431802 /nfs/dbraw/zinc/43/18/02/1276431802.db2.gz YFDGBOTZSCFYEI-CABCVRRESA-N 2 1 364.494 0.648 20 0 FCADMP COC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578898403 1276431805 /nfs/dbraw/zinc/43/18/05/1276431805.db2.gz YFDGBOTZSCFYEI-CABCVRRESA-N 2 1 364.494 0.648 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578970486 1276514315 /nfs/dbraw/zinc/51/43/15/1276514315.db2.gz CSJBPDQKUUQKIW-ZDUSSCGKSA-N 2 1 370.461 0.689 20 0 FCADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578972920 1276517911 /nfs/dbraw/zinc/51/79/11/1276517911.db2.gz FHGOSMWHYNBVIV-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001578973635 1276520571 /nfs/dbraw/zinc/52/05/71/1276520571.db2.gz WCJWOIMQZIJRTH-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)CC[NH+](C)C ZINC001578973566 1276520641 /nfs/dbraw/zinc/52/06/41/1276520641.db2.gz SZYPQKFQTSCRAH-UHFFFAOYSA-N 2 1 351.480 0.770 20 0 FCADMP COC[C@@]1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]CCO1 ZINC001578975859 1276526687 /nfs/dbraw/zinc/52/66/87/1276526687.db2.gz WSJAFOCIWGKOFA-CRAIPNDOSA-N 2 1 351.447 0.928 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578980371 1276540629 /nfs/dbraw/zinc/54/06/29/1276540629.db2.gz IBVGTBRLPORNKN-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001578982576 1276544769 /nfs/dbraw/zinc/54/47/69/1276544769.db2.gz VQRDJAONJLSIHA-ZDUSSCGKSA-N 2 1 358.450 0.641 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578985652 1276552781 /nfs/dbraw/zinc/55/27/81/1276552781.db2.gz MSNWOULVMOKDGD-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578985653 1276553094 /nfs/dbraw/zinc/55/30/94/1276553094.db2.gz MSNWOULVMOKDGD-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579020958 1276599667 /nfs/dbraw/zinc/59/96/67/1276599667.db2.gz IHEMWNKSSPGFSE-LSDHHAIUSA-N 2 1 352.483 0.506 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC001579037095 1276621197 /nfs/dbraw/zinc/62/11/97/1276621197.db2.gz FLHYDMHXBUMPRN-IYBDPMFKSA-N 2 1 356.511 0.753 20 0 FCADMP COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC001579194684 1276968950 /nfs/dbraw/zinc/96/89/50/1276968950.db2.gz ODVNGRQXTFUMSR-HOTGVXAUSA-N 2 1 357.476 0.206 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001579215107 1277012169 /nfs/dbraw/zinc/01/21/69/1277012169.db2.gz XYJHDGYTGMQOKP-CZUORRHYSA-N 2 1 370.461 0.571 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322751 1277137344 /nfs/dbraw/zinc/13/73/44/1277137344.db2.gz GOVZELKWXKUOKD-BBRMVZONSA-N 2 1 370.461 0.284 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326574 1277149793 /nfs/dbraw/zinc/14/97/93/1277149793.db2.gz PQIAQFMQWUTYBD-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326574 1277149795 /nfs/dbraw/zinc/14/97/95/1277149795.db2.gz PQIAQFMQWUTYBD-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326574 1277149798 /nfs/dbraw/zinc/14/97/98/1277149798.db2.gz PQIAQFMQWUTYBD-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326479 1277150043 /nfs/dbraw/zinc/15/00/43/1277150043.db2.gz JYFQMSSUVNBOSH-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334002 1277170791 /nfs/dbraw/zinc/17/07/91/1277170791.db2.gz UJVGBQUHSPVUSV-DOTOQJQBSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334879 1277173473 /nfs/dbraw/zinc/17/34/73/1277173473.db2.gz ITRDDQZETXOMBE-KBPBESRZSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335806 1277176922 /nfs/dbraw/zinc/17/69/22/1277176922.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335806 1277176924 /nfs/dbraw/zinc/17/69/24/1277176924.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335806 1277176929 /nfs/dbraw/zinc/17/69/29/1277176929.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338862 1277181266 /nfs/dbraw/zinc/18/12/66/1277181266.db2.gz YYQHUNSAFKIQEK-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339563 1277183555 /nfs/dbraw/zinc/18/35/55/1277183555.db2.gz JLNGUORAAYUXPX-XIRDDKMYSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341010 1277186972 /nfs/dbraw/zinc/18/69/72/1277186972.db2.gz FDRORCJSUFMUQW-CQSZACIVSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341010 1277186973 /nfs/dbraw/zinc/18/69/73/1277186973.db2.gz FDRORCJSUFMUQW-CQSZACIVSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342623 1277190917 /nfs/dbraw/zinc/19/09/17/1277190917.db2.gz APSJQQCZJDXNBX-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342623 1277190919 /nfs/dbraw/zinc/19/09/19/1277190919.db2.gz APSJQQCZJDXNBX-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342623 1277190920 /nfs/dbraw/zinc/19/09/20/1277190920.db2.gz APSJQQCZJDXNBX-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344319 1277193834 /nfs/dbraw/zinc/19/38/34/1277193834.db2.gz PUGYDQUYRNJNPF-IHRRRGAJSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344319 1277193843 /nfs/dbraw/zinc/19/38/43/1277193843.db2.gz PUGYDQUYRNJNPF-IHRRRGAJSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579344216 1277194522 /nfs/dbraw/zinc/19/45/22/1277194522.db2.gz OEUINLBFXHKUJO-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344926 1277197546 /nfs/dbraw/zinc/19/75/46/1277197546.db2.gz IMUVCEKQZKKKFI-KGLIPLIRSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579347271 1277201349 /nfs/dbraw/zinc/20/13/49/1277201349.db2.gz ZYHIVCYGYPWDGY-GFCCVEGCSA-N 2 1 356.434 0.086 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357010 1277224363 /nfs/dbraw/zinc/22/43/63/1277224363.db2.gz SJIOUQYVKAFXOS-HOCLYGCPSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001579358572 1277226931 /nfs/dbraw/zinc/22/69/31/1277226931.db2.gz GJSVQBJKZQRXKF-OAHLLOKOSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366257 1277245544 /nfs/dbraw/zinc/24/55/44/1277245544.db2.gz QKDJGDIQTBQBPQ-BBRMVZONSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579368545 1277250617 /nfs/dbraw/zinc/25/06/17/1277250617.db2.gz AEHJQFIJKIUCDH-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579372294 1277255595 /nfs/dbraw/zinc/25/55/95/1277255595.db2.gz SJXZQZNIVITOBA-DLBZAZTESA-N 2 1 369.473 0.945 20 0 FCADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@]23C[NH2+]C[C@@H]2CS(=O)(=O)C3)c1 ZINC001579593276 1277623577 /nfs/dbraw/zinc/62/35/77/1277623577.db2.gz YHTYLAGSCWJKGN-RHSMWYFYSA-N 2 1 351.472 0.629 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001579940850 1277972334 /nfs/dbraw/zinc/97/23/34/1277972334.db2.gz KJIQXTATACMKQL-OAHLLOKOSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001579940850 1277972335 /nfs/dbraw/zinc/97/23/35/1277972335.db2.gz KJIQXTATACMKQL-OAHLLOKOSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001579940850 1277972338 /nfs/dbraw/zinc/97/23/38/1277972338.db2.gz KJIQXTATACMKQL-OAHLLOKOSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001579940850 1277972344 /nfs/dbraw/zinc/97/23/44/1277972344.db2.gz KJIQXTATACMKQL-OAHLLOKOSA-N 2 1 373.461 0.518 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001580088995 1278003601 /nfs/dbraw/zinc/00/36/01/1278003601.db2.gz GHVAMNBVQIXPGV-MAUKXSAKSA-N 2 1 351.495 0.359 20 0 FCADMP NC(=O)NCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001580096615 1278005344 /nfs/dbraw/zinc/00/53/44/1278005344.db2.gz IRXVVYIUBYHGLL-IYBDPMFKSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580098104 1278006326 /nfs/dbraw/zinc/00/63/26/1278006326.db2.gz IEYGKAKSELNJAX-OAGGEKHMSA-N 2 1 351.495 0.357 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001714391621 1287320980 /nfs/dbraw/zinc/32/09/80/1287320980.db2.gz UOYYMQNSXKWXPR-RRFJBIMHSA-N 2 1 359.536 0.493 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001580272966 1278067361 /nfs/dbraw/zinc/06/73/61/1278067361.db2.gz WGIZEWZJHWUDES-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580273800 1278067609 /nfs/dbraw/zinc/06/76/09/1278067609.db2.gz AKRSYUFMUINSRL-FZMZJTMJSA-N 2 1 361.425 0.552 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940493 1279148471 /nfs/dbraw/zinc/14/84/71/1279148471.db2.gz AGTDFNQNGCTQJL-CYBMUJFWSA-N 2 1 360.466 0.851 20 0 FCADMP Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941437 1279149911 /nfs/dbraw/zinc/14/99/11/1279149911.db2.gz HPVWABRKDMGVNP-HIFRSBDPSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942757 1279151004 /nfs/dbraw/zinc/15/10/04/1279151004.db2.gz ZPEPSLDNBNZXKR-DZGCQCFKSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N(C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949044 1279155330 /nfs/dbraw/zinc/15/53/30/1279155330.db2.gz LNDKNFFBDQQZNV-GFCCVEGCSA-N 2 1 358.450 0.464 20 0 FCADMP Cc1cc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954881 1279158632 /nfs/dbraw/zinc/15/86/32/1279158632.db2.gz BZEPQSZNRUEWHV-KGLIPLIRSA-N 2 1 370.461 0.559 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958453 1279161581 /nfs/dbraw/zinc/16/15/81/1279161581.db2.gz BWZFLUOEMGCIGH-HIFRSBDPSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977827 1279177372 /nfs/dbraw/zinc/17/73/72/1279177372.db2.gz RXQDPEOZIINULM-HALDLXJZSA-N 2 1 370.461 0.461 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993045 1279197651 /nfs/dbraw/zinc/19/76/51/1279197651.db2.gz FGXBTDPQCQYQNG-JKSUJKDBSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994044 1279200730 /nfs/dbraw/zinc/20/07/30/1279200730.db2.gz KKNMIARLMRKRNR-WFASDCNBSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994250 1279202134 /nfs/dbraw/zinc/20/21/34/1279202134.db2.gz SVBOZECQFWFBEQ-CJNGLKHVSA-N 2 1 372.477 0.496 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994876 1279202838 /nfs/dbraw/zinc/20/28/38/1279202838.db2.gz RZFYOMLDQKUZLI-JSGCOSHPSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004142 1279222837 /nfs/dbraw/zinc/22/28/37/1279222837.db2.gz MPIOUGROSQRMQK-KBPBESRZSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012850 1279239319 /nfs/dbraw/zinc/23/93/19/1279239319.db2.gz CFPROHNPEKBTLE-UONOGXRCSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013657 1279240266 /nfs/dbraw/zinc/24/02/66/1279240266.db2.gz UVPIAIPLFBKRRP-OCCSQVGLSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581027946 1279262792 /nfs/dbraw/zinc/26/27/92/1279262792.db2.gz ZCEQYEVCJZWQFV-LLVKDONJSA-N 2 1 369.433 0.504 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc3ccccc3n2C)CC[N@H+]1C ZINC001715589063 1287355790 /nfs/dbraw/zinc/35/57/90/1287355790.db2.gz XUJSFOFUFUGUMV-QLFBSQMISA-N 2 1 359.474 0.480 20 0 FCADMP C[C@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603482181 1287387784 /nfs/dbraw/zinc/38/77/84/1287387784.db2.gz ZLPDBWWIDSYSNW-ZIAGYGMSSA-N 2 1 372.477 0.865 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581565232 1280144612 /nfs/dbraw/zinc/14/46/12/1280144612.db2.gz FEABHFFVUWEISG-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581565424 1280145646 /nfs/dbraw/zinc/14/56/46/1280145646.db2.gz QEFBMJLKZUKPAD-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP O=C(NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001582477314 1281610290 /nfs/dbraw/zinc/61/02/90/1281610290.db2.gz IGOHSAXDMDXTOR-UHFFFAOYSA-N 2 1 373.486 0.572 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC1=O ZINC001631800977 1282113978 /nfs/dbraw/zinc/11/39/78/1282113978.db2.gz GOISQTDTKVWHOS-VSZNYVQBSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1=O ZINC001631800977 1282113993 /nfs/dbraw/zinc/11/39/93/1282113993.db2.gz GOISQTDTKVWHOS-VSZNYVQBSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1=O ZINC001631800977 1282114007 /nfs/dbraw/zinc/11/40/07/1282114007.db2.gz GOISQTDTKVWHOS-VSZNYVQBSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001636937290 1282547277 /nfs/dbraw/zinc/54/72/77/1282547277.db2.gz VUMNPKYSLSMVFM-HNNXBMFYSA-N 2 1 360.462 0.799 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001604197535 1287584461 /nfs/dbraw/zinc/58/44/61/1287584461.db2.gz JLOPMKJLRCVBCJ-CQSZACIVSA-N 2 1 372.477 0.949 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001590112605 1283223411 /nfs/dbraw/zinc/22/34/11/1283223411.db2.gz LDANKCQUOPYDSK-HOCLYGCPSA-N 2 1 369.473 0.948 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001590270777 1283396614 /nfs/dbraw/zinc/39/66/14/1283396614.db2.gz MSBYUQCLWKNJFP-GFCCVEGCSA-N 2 1 361.425 0.553 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001683210157 1283894707 /nfs/dbraw/zinc/89/47/07/1283894707.db2.gz GIASKLYLMAIQCK-KRWDZBQOSA-N 2 1 366.506 0.748 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001683210157 1283894720 /nfs/dbraw/zinc/89/47/20/1283894720.db2.gz GIASKLYLMAIQCK-KRWDZBQOSA-N 2 1 366.506 0.748 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OC ZINC001683325341 1283942445 /nfs/dbraw/zinc/94/24/45/1283942445.db2.gz DFWVXBSYUCTANC-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001683325876 1283944295 /nfs/dbraw/zinc/94/42/95/1283944295.db2.gz YSBYPAPNNRUVKY-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CN(CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001591116186 1284192407 /nfs/dbraw/zinc/19/24/07/1284192407.db2.gz OPHLKKJEERCMGI-QGZVFWFLSA-N 2 1 360.462 0.770 20 0 FCADMP C[N@@H+](CCc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001591121722 1284197057 /nfs/dbraw/zinc/19/70/57/1284197057.db2.gz UTQIDUPOVPSHHY-OAHLLOKOSA-N 2 1 357.462 0.538 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172499 1284255322 /nfs/dbraw/zinc/25/53/22/1284255322.db2.gz VRPGTNCQSCPSMC-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172499 1284255331 /nfs/dbraw/zinc/25/53/31/1284255331.db2.gz VRPGTNCQSCPSMC-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172499 1284255343 /nfs/dbraw/zinc/25/53/43/1284255343.db2.gz VRPGTNCQSCPSMC-HOTGVXAUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172500 1284256226 /nfs/dbraw/zinc/25/62/26/1284256226.db2.gz VRPGTNCQSCPSMC-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172500 1284256236 /nfs/dbraw/zinc/25/62/36/1284256236.db2.gz VRPGTNCQSCPSMC-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172500 1284256243 /nfs/dbraw/zinc/25/62/43/1284256243.db2.gz VRPGTNCQSCPSMC-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173347 1284257796 /nfs/dbraw/zinc/25/77/96/1284257796.db2.gz SHPVENWTUBDCRZ-IUODEOHRSA-N 2 1 370.461 0.284 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCCCCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175598 1284265182 /nfs/dbraw/zinc/26/51/82/1284265182.db2.gz QGTXSXXQNQSKOZ-AWEZNQCLSA-N 2 1 372.477 0.724 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175745 1284268017 /nfs/dbraw/zinc/26/80/17/1284268017.db2.gz UKIPCWLZWOVYEN-RXYHWBRQSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591187556 1284301314 /nfs/dbraw/zinc/30/13/14/1284301314.db2.gz ZFAAZLNJRHFZBW-INIZCTEOSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001591189653 1284305681 /nfs/dbraw/zinc/30/56/81/1284305681.db2.gz KAFYZEBQMDYAGE-RXYHWBRQSA-N 2 1 373.436 0.862 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001604683586 1287732114 /nfs/dbraw/zinc/73/21/14/1287732114.db2.gz JQAMKABYHLXRDU-UHFFFAOYSA-N 2 1 358.450 0.642 20 0 FCADMP COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1-c1nn[nH]n1 ZINC001591526475 1284713140 /nfs/dbraw/zinc/71/31/40/1284713140.db2.gz RWLWNQIDOWKDEV-AWEZNQCLSA-N 2 1 373.461 0.695 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001591760304 1284889327 /nfs/dbraw/zinc/88/93/27/1284889327.db2.gz NWWFSBCDAQWLLT-ZYSHUDEJSA-N 2 1 367.457 0.512 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001702414614 1285655767 /nfs/dbraw/zinc/65/57/67/1285655767.db2.gz YUODPYYDXVPXKS-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP [NH3+]C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C1CCCC1 ZINC001592740690 1285659524 /nfs/dbraw/zinc/65/95/24/1285659524.db2.gz IYGCEAUCOUVFNQ-HOTGVXAUSA-N 2 1 355.446 0.687 20 0 FCADMP [NH3+]C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)(F)F ZINC001592741912 1285660924 /nfs/dbraw/zinc/66/09/24/1285660924.db2.gz RCRNQDNZEDJWGS-GHMZBOCLSA-N 2 1 355.324 0.059 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001702477048 1285691249 /nfs/dbraw/zinc/69/12/49/1285691249.db2.gz FRVGKDSVZZCJPZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001702477048 1285691253 /nfs/dbraw/zinc/69/12/53/1285691253.db2.gz FRVGKDSVZZCJPZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)CC1 ZINC001707221736 1287067760 /nfs/dbraw/zinc/06/77/60/1287067760.db2.gz RUBHCJCINCLZCM-MSOLQXFVSA-N 2 1 362.518 0.635 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605086834 1287874152 /nfs/dbraw/zinc/87/41/52/1287874152.db2.gz HFKCZLCSZPMSPE-INIZCTEOSA-N 2 1 373.461 0.138 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605086834 1287874156 /nfs/dbraw/zinc/87/41/56/1287874156.db2.gz HFKCZLCSZPMSPE-INIZCTEOSA-N 2 1 373.461 0.138 20 0 FCADMP Cc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001609405326 1289138949 /nfs/dbraw/zinc/13/89/49/1289138949.db2.gz FTUPHTOWYMZBNK-UHFFFAOYSA-N 2 1 370.461 0.705 20 0 FCADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001609408853 1289140516 /nfs/dbraw/zinc/14/05/16/1289140516.db2.gz NTRITHURFCCTSJ-AGUYFDCRSA-N 2 1 370.461 0.488 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@H+]1C ZINC001605431575 1287960953 /nfs/dbraw/zinc/96/09/53/1287960953.db2.gz ZNIFIBOUYNDSRC-AXAPSJFSSA-N 2 1 370.461 0.331 20 0 FCADMP Cc1cc(NC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726680 1288063473 /nfs/dbraw/zinc/06/34/73/1288063473.db2.gz JYNRTFQZBQMTLK-XJKSGUPXSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732815 1288065136 /nfs/dbraw/zinc/06/51/36/1288065136.db2.gz VRISCYYGSFDJOT-UONOGXRCSA-N 2 1 370.461 0.347 20 0 FCADMP CCCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721213629 1288313020 /nfs/dbraw/zinc/31/30/20/1288313020.db2.gz XNPBPGRTJGRASW-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721213629 1288313022 /nfs/dbraw/zinc/31/30/22/1288313022.db2.gz XNPBPGRTJGRASW-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP [NH3+]Cc1nccnc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606440858 1288320507 /nfs/dbraw/zinc/32/05/07/1288320507.db2.gz SBHXZZHTCLFMEB-UHFFFAOYSA-N 2 1 365.445 0.828 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC001606728746 1288471684 /nfs/dbraw/zinc/47/16/84/1288471684.db2.gz FYKVVCHCKFDZTI-OCCSQVGLSA-N 2 1 359.434 0.540 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC001606728746 1288471687 /nfs/dbraw/zinc/47/16/87/1288471687.db2.gz FYKVVCHCKFDZTI-OCCSQVGLSA-N 2 1 359.434 0.540 20 0 FCADMP CCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001727529429 1288515046 /nfs/dbraw/zinc/51/50/46/1288515046.db2.gz LERDRXHLTLUGDN-DAYGRLMNSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001727529429 1288515049 /nfs/dbraw/zinc/51/50/49/1288515049.db2.gz LERDRXHLTLUGDN-DAYGRLMNSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001727529429 1288515055 /nfs/dbraw/zinc/51/50/55/1288515055.db2.gz LERDRXHLTLUGDN-DAYGRLMNSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001727551501 1288517209 /nfs/dbraw/zinc/51/72/09/1288517209.db2.gz ISCHKCFJJYTWMH-CVEARBPZSA-N 2 1 350.511 0.949 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732085677 1288574195 /nfs/dbraw/zinc/57/41/95/1288574195.db2.gz VNQQZZWSIZJHKM-HLLBOEOZSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732085677 1288574197 /nfs/dbraw/zinc/57/41/97/1288574197.db2.gz VNQQZZWSIZJHKM-HLLBOEOZSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001732085677 1288574199 /nfs/dbraw/zinc/57/41/99/1288574199.db2.gz VNQQZZWSIZJHKM-HLLBOEOZSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001732342958 1288581831 /nfs/dbraw/zinc/58/18/31/1288581831.db2.gz MOLQWZUWCWDBGP-ZMSDIMECSA-N 2 1 371.489 0.844 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001735719201 1288795872 /nfs/dbraw/zinc/79/58/72/1288795872.db2.gz OGUNKBVNHZANTN-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CCO ZINC001691901836 1289337932 /nfs/dbraw/zinc/33/79/32/1289337932.db2.gz WMHHABKPKWIPFV-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)Cc1ccccc1 ZINC001691958005 1289350738 /nfs/dbraw/zinc/35/07/38/1289350738.db2.gz MXIVNOFWPMRTIB-KSZLIROESA-N 2 1 358.486 0.881 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)Cc1ccccc1 ZINC001691958005 1289350749 /nfs/dbraw/zinc/35/07/49/1289350749.db2.gz MXIVNOFWPMRTIB-KSZLIROESA-N 2 1 358.486 0.881 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001692083222 1289388838 /nfs/dbraw/zinc/38/88/38/1289388838.db2.gz OIINFIRLIHEJGX-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001692083222 1289388849 /nfs/dbraw/zinc/38/88/49/1289388849.db2.gz OIINFIRLIHEJGX-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001692083222 1289388859 /nfs/dbraw/zinc/38/88/59/1289388859.db2.gz OIINFIRLIHEJGX-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001692096832 1289399172 /nfs/dbraw/zinc/39/91/72/1289399172.db2.gz HGSSUTLWEQQEIB-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001692188521 1289423792 /nfs/dbraw/zinc/42/37/92/1289423792.db2.gz GSKVNENCGFRRLG-UONOGXRCSA-N 2 1 367.494 0.286 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001692188521 1289423794 /nfs/dbraw/zinc/42/37/94/1289423794.db2.gz GSKVNENCGFRRLG-UONOGXRCSA-N 2 1 367.494 0.286 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001692236846 1289435140 /nfs/dbraw/zinc/43/51/40/1289435140.db2.gz REHPDZWJGDVCOC-ZACQAIPSSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001692236846 1289435145 /nfs/dbraw/zinc/43/51/45/1289435145.db2.gz REHPDZWJGDVCOC-ZACQAIPSSA-N 2 1 371.547 0.876 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692291316 1289445454 /nfs/dbraw/zinc/44/54/54/1289445454.db2.gz BPTVNFAVPGPILL-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001699000360 1289542138 /nfs/dbraw/zinc/54/21/38/1289542138.db2.gz CQPYHWQBEWXSIL-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001699000360 1289542145 /nfs/dbraw/zinc/54/21/45/1289542145.db2.gz CQPYHWQBEWXSIL-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001699000360 1289542151 /nfs/dbraw/zinc/54/21/51/1289542151.db2.gz CQPYHWQBEWXSIL-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001698998641 1289542928 /nfs/dbraw/zinc/54/29/28/1289542928.db2.gz GULRKOYHAAPGCG-MSOLQXFVSA-N 2 1 360.502 0.810 20 0 FCADMP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001698998641 1289542931 /nfs/dbraw/zinc/54/29/31/1289542931.db2.gz GULRKOYHAAPGCG-MSOLQXFVSA-N 2 1 360.502 0.810 20 0 FCADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001698998641 1289542936 /nfs/dbraw/zinc/54/29/36/1289542936.db2.gz GULRKOYHAAPGCG-MSOLQXFVSA-N 2 1 360.502 0.810 20 0 FCADMP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001698998641 1289542940 /nfs/dbraw/zinc/54/29/40/1289542940.db2.gz GULRKOYHAAPGCG-MSOLQXFVSA-N 2 1 360.502 0.810 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001699101365 1289545983 /nfs/dbraw/zinc/54/59/83/1289545983.db2.gz CGCSQUNMFORIPD-DMDPSCGWSA-N 2 1 368.507 0.610 20 0 FCADMP CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309301 1289548816 /nfs/dbraw/zinc/54/88/16/1289548816.db2.gz XRERHVOSVVQMMO-CNPAMDGFSA-N 2 1 358.486 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001699441433 1289555183 /nfs/dbraw/zinc/55/51/83/1289555183.db2.gz KYUHZMQDTBBHNT-HYVNUMGLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001699441433 1289555190 /nfs/dbraw/zinc/55/51/90/1289555190.db2.gz KYUHZMQDTBBHNT-HYVNUMGLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001699441433 1289555196 /nfs/dbraw/zinc/55/51/96/1289555196.db2.gz KYUHZMQDTBBHNT-HYVNUMGLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001699441433 1289555202 /nfs/dbraw/zinc/55/52/02/1289555202.db2.gz KYUHZMQDTBBHNT-HYVNUMGLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CCOCC2)CC[N@@H+]1C ZINC001699881369 1289569525 /nfs/dbraw/zinc/56/95/25/1289569525.db2.gz XXLJSQDBPWXRMI-LSDHHAIUSA-N 2 1 351.451 0.555 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CCOCC2)CC[N@H+]1C ZINC001699881369 1289569530 /nfs/dbraw/zinc/56/95/30/1289569530.db2.gz XXLJSQDBPWXRMI-LSDHHAIUSA-N 2 1 351.451 0.555 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001702150121 1289754862 /nfs/dbraw/zinc/75/48/62/1289754862.db2.gz OVMPSMPNZAJXEO-JZXOWHBKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCCC1 ZINC001616258800 1289772441 /nfs/dbraw/zinc/77/24/41/1289772441.db2.gz ZEJXKPLTEUTPPL-QGZVFWFLSA-N 2 1 365.522 0.763 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001753130704 1290621074 /nfs/dbraw/zinc/62/10/74/1290621074.db2.gz XXTMUBHFFOXLQQ-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C2)CC[NH+]1C ZINC001753130704 1290621084 /nfs/dbraw/zinc/62/10/84/1290621084.db2.gz XXTMUBHFFOXLQQ-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C2)CC[NH+]1C ZINC001753130704 1290621095 /nfs/dbraw/zinc/62/10/95/1290621095.db2.gz XXTMUBHFFOXLQQ-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001754225719 1290627097 /nfs/dbraw/zinc/62/70/97/1290627097.db2.gz IOZSTZRUUWOHRA-CKYFFXLPSA-N 2 1 354.480 0.220 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001757092833 1290714159 /nfs/dbraw/zinc/71/41/59/1290714159.db2.gz VGSSRRIZFYZTKO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C[C@H]1C ZINC001757092833 1290714161 /nfs/dbraw/zinc/71/41/61/1290714161.db2.gz VGSSRRIZFYZTKO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C[C@H]1C ZINC001757092833 1290714167 /nfs/dbraw/zinc/71/41/67/1290714167.db2.gz VGSSRRIZFYZTKO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001757092833 1290714171 /nfs/dbraw/zinc/71/41/71/1290714171.db2.gz VGSSRRIZFYZTKO-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001757247539 1290750489 /nfs/dbraw/zinc/75/04/89/1290750489.db2.gz PGCXXGXEHRCFRY-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC001643312024 1290873807 /nfs/dbraw/zinc/87/38/07/1290873807.db2.gz DIHHBNNGAUABCU-INIZCTEOSA-N 2 1 370.538 0.602 20 0 FCADMP CN(CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC001655211722 1291460795 /nfs/dbraw/zinc/46/07/95/1291460795.db2.gz MBIRXHYRSHJTCX-UHFFFAOYSA-N 2 1 373.545 0.905 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839880 1291566062 /nfs/dbraw/zinc/56/60/62/1291566062.db2.gz MJAPIOSQIZQBTQ-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839880 1291566067 /nfs/dbraw/zinc/56/60/67/1291566067.db2.gz MJAPIOSQIZQBTQ-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839880 1291566076 /nfs/dbraw/zinc/56/60/76/1291566076.db2.gz MJAPIOSQIZQBTQ-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP COC(=O)CCC[NH+]1CCC(N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001660443359 1291658758 /nfs/dbraw/zinc/65/87/58/1291658758.db2.gz KUQDJLZFRIDZFM-STQMWFEESA-N 2 1 357.451 0.060 20 0 FCADMP COCC[N@H+](CCC(=O)OC(C)(C)C)CCC(=O)N1CC[NH+](C)CC1 ZINC001660546801 1291664447 /nfs/dbraw/zinc/66/44/47/1291664447.db2.gz SAHKUXLHCDVVGY-UHFFFAOYSA-N 2 1 357.495 0.831 20 0 FCADMP COCC[N@@H+](CCC(=O)OC(C)(C)C)CCC(=O)N1CC[NH+](C)CC1 ZINC001660546801 1291664452 /nfs/dbraw/zinc/66/44/52/1291664452.db2.gz SAHKUXLHCDVVGY-UHFFFAOYSA-N 2 1 357.495 0.831 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001673434027 1292108590 /nfs/dbraw/zinc/10/85/90/1292108590.db2.gz BJEACHJBTAZKRX-QLFBSQMISA-N 2 1 369.510 0.341 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001673434027 1292108595 /nfs/dbraw/zinc/10/85/95/1292108595.db2.gz BJEACHJBTAZKRX-QLFBSQMISA-N 2 1 369.510 0.341 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001673434027 1292108599 /nfs/dbraw/zinc/10/85/99/1292108599.db2.gz BJEACHJBTAZKRX-QLFBSQMISA-N 2 1 369.510 0.341 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956305 1292286784 /nfs/dbraw/zinc/28/67/84/1292286784.db2.gz AWPCDSVVEPITOK-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956305 1292286793 /nfs/dbraw/zinc/28/67/93/1292286793.db2.gz AWPCDSVVEPITOK-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001678956305 1292286800 /nfs/dbraw/zinc/28/68/00/1292286800.db2.gz AWPCDSVVEPITOK-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CCCN1C[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC001679000015 1292288861 /nfs/dbraw/zinc/28/88/61/1292288861.db2.gz XYQUHIABAHQZJS-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP CCCN1C[C@H](CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000015 1292288864 /nfs/dbraw/zinc/28/88/64/1292288864.db2.gz XYQUHIABAHQZJS-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001685620102 1292574849 /nfs/dbraw/zinc/57/48/49/1292574849.db2.gz USZYFSXVYVNSKF-RCCFBDPRSA-N 2 1 368.522 0.510 20 0 FCADMP C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001688903455 1294548494 /nfs/dbraw/zinc/54/84/94/1294548494.db2.gz IXVKVEGFUNGCSX-IUKJFTNHSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001689025372 1294574165 /nfs/dbraw/zinc/57/41/65/1294574165.db2.gz QMHJOCZHJQBSIH-BZUAXINKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001689025373 1294574382 /nfs/dbraw/zinc/57/43/82/1294574382.db2.gz QMHJOCZHJQBSIH-OAGGEKHMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001689100375 1294616808 /nfs/dbraw/zinc/61/68/08/1294616808.db2.gz VBDVEVMNVLZGON-KGLIPLIRSA-N 2 1 369.510 0.376 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001689098410 1294617573 /nfs/dbraw/zinc/61/75/73/1294617573.db2.gz LYFTYUIEHWFESM-CABCVRRESA-N 2 1 351.499 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001689350191 1294767885 /nfs/dbraw/zinc/76/78/85/1294767885.db2.gz WQPOHYLNFXEXRI-SHUKXNKTSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N2CCCCC2)C2CC2)CC[N@H+]1C ZINC001690151453 1294861703 /nfs/dbraw/zinc/86/17/03/1294861703.db2.gz MGOOTGRPLUBERX-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001690941387 1294892584 /nfs/dbraw/zinc/89/25/84/1294892584.db2.gz BBRXDYNBLWHZPP-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCCNC(=O)C(F)(F)F)CC[NH+]1C ZINC001690941387 1294892592 /nfs/dbraw/zinc/89/25/92/1294892592.db2.gz BBRXDYNBLWHZPP-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCCNC(=O)C(F)(F)F)CC[NH+]1C ZINC001690941387 1294892607 /nfs/dbraw/zinc/89/26/07/1294892607.db2.gz BBRXDYNBLWHZPP-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001691515426 1294896329 /nfs/dbraw/zinc/89/63/29/1294896329.db2.gz ASIJUJRRJBQOKJ-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001691515426 1294896342 /nfs/dbraw/zinc/89/63/42/1294896342.db2.gz ASIJUJRRJBQOKJ-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001691515426 1294896357 /nfs/dbraw/zinc/89/63/57/1294896357.db2.gz ASIJUJRRJBQOKJ-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001691515426 1294896368 /nfs/dbraw/zinc/89/63/68/1294896368.db2.gz ASIJUJRRJBQOKJ-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001691515426 1294896381 /nfs/dbraw/zinc/89/63/81/1294896381.db2.gz ASIJUJRRJBQOKJ-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164722313 720274626 /nfs/dbraw/zinc/27/46/26/720274626.db2.gz PQJNRSUBACLWIK-IBGZPJMESA-N 2 1 361.490 0.514 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164722313 720274638 /nfs/dbraw/zinc/27/46/38/720274638.db2.gz PQJNRSUBACLWIK-IBGZPJMESA-N 2 1 361.490 0.514 20 0 FCADMP Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164743439 720807325 /nfs/dbraw/zinc/80/73/25/720807325.db2.gz FZDKHBLXXABCSY-JKSUJKDBSA-N 2 1 367.457 0.604 20 0 FCADMP c1csc(C[N@H+]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164786663 721397639 /nfs/dbraw/zinc/39/76/39/721397639.db2.gz OTTUJTDZGNRYIM-GASCZTMLSA-N 2 1 371.514 0.911 20 0 FCADMP c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164786663 721397644 /nfs/dbraw/zinc/39/76/44/721397644.db2.gz OTTUJTDZGNRYIM-GASCZTMLSA-N 2 1 371.514 0.911 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930812 721853129 /nfs/dbraw/zinc/85/31/29/721853129.db2.gz SUQZLZRBNHQFAC-GJZGRUSLSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930812 721853132 /nfs/dbraw/zinc/85/31/32/721853132.db2.gz SUQZLZRBNHQFAC-GJZGRUSLSA-N 2 1 350.898 0.990 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)O1 ZINC001067009206 837448068 /nfs/dbraw/zinc/44/80/68/837448068.db2.gz MGEXOTXEEQKPER-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)O1 ZINC001067009206 837448074 /nfs/dbraw/zinc/44/80/74/837448074.db2.gz MGEXOTXEEQKPER-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC001067009206 837448078 /nfs/dbraw/zinc/44/80/78/837448078.db2.gz MGEXOTXEEQKPER-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)O1 ZINC001067009206 837448084 /nfs/dbraw/zinc/44/80/84/837448084.db2.gz MGEXOTXEEQKPER-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069929098 837565257 /nfs/dbraw/zinc/56/52/57/837565257.db2.gz VAVJXQILRCVJCD-OAGGEKHMSA-N 2 1 350.442 0.321 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)CC2 ZINC001099298191 844012008 /nfs/dbraw/zinc/01/20/08/844012008.db2.gz SMZWRAQTZRKBNX-IACUBPJLSA-N 2 1 360.380 0.725 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924375 837701660 /nfs/dbraw/zinc/70/16/60/837701660.db2.gz LHJLOIDNDSRJBM-OAGGEKHMSA-N 2 1 350.463 0.598 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCF)CC1 ZINC001071094350 837731284 /nfs/dbraw/zinc/73/12/84/837731284.db2.gz CIUIFCHJDVUZGD-AEFFLSMTSA-N 2 1 357.470 0.664 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101231159 844112024 /nfs/dbraw/zinc/11/20/24/844112024.db2.gz UAUWJRRVHZXQID-LMMKCTJWSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231159 844112026 /nfs/dbraw/zinc/11/20/26/844112026.db2.gz UAUWJRRVHZXQID-LMMKCTJWSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231159 844112032 /nfs/dbraw/zinc/11/20/32/844112032.db2.gz UAUWJRRVHZXQID-LMMKCTJWSA-N 2 1 353.507 0.648 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257845 844122984 /nfs/dbraw/zinc/12/29/84/844122984.db2.gz PDXUTTPNGMGBNS-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257845 844122993 /nfs/dbraw/zinc/12/29/93/844122993.db2.gz PDXUTTPNGMGBNS-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257845 844123001 /nfs/dbraw/zinc/12/30/01/844123001.db2.gz PDXUTTPNGMGBNS-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000382750254 836051914 /nfs/dbraw/zinc/05/19/14/836051914.db2.gz FIOXMMRONCAFLT-KRWDZBQOSA-N 2 1 352.504 0.590 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257456 844122761 /nfs/dbraw/zinc/12/27/61/844122761.db2.gz VEMSBZUUAHZROA-VKJFTORMSA-N 2 1 356.486 0.583 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279550 844130089 /nfs/dbraw/zinc/13/00/89/844130089.db2.gz PZVJNFRJRBVSQE-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101279550 844130094 /nfs/dbraw/zinc/13/00/94/844130094.db2.gz PZVJNFRJRBVSQE-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101279550 844130099 /nfs/dbraw/zinc/13/00/99/844130099.db2.gz PZVJNFRJRBVSQE-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279625 844130466 /nfs/dbraw/zinc/13/04/66/844130466.db2.gz SCSYDOLDZKYVKL-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101279625 844130472 /nfs/dbraw/zinc/13/04/72/844130472.db2.gz SCSYDOLDZKYVKL-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101279625 844130473 /nfs/dbraw/zinc/13/04/73/844130473.db2.gz SCSYDOLDZKYVKL-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279636 844130564 /nfs/dbraw/zinc/13/05/64/844130564.db2.gz SPKCDVAOWGXXBW-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101279636 844130570 /nfs/dbraw/zinc/13/05/70/844130570.db2.gz SPKCDVAOWGXXBW-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101279636 844130575 /nfs/dbraw/zinc/13/05/75/844130575.db2.gz SPKCDVAOWGXXBW-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=S)NCCC[NH+]1CCOCC1 ZINC000746553179 836189495 /nfs/dbraw/zinc/18/94/95/836189495.db2.gz YDXYOJAXLLFZQU-IKGGRYGDSA-N 2 1 370.563 0.767 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747566702 836249391 /nfs/dbraw/zinc/24/93/91/836249391.db2.gz FAQKLSQOEQAEOC-RCCFBDPRSA-N 2 1 352.523 0.724 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747566698 836249676 /nfs/dbraw/zinc/24/96/76/836249676.db2.gz FAQKLSQOEQAEOC-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000747652274 836254031 /nfs/dbraw/zinc/25/40/31/836254031.db2.gz JCNHWPDWGCOLJT-HUUCEWRRSA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000747652274 836254044 /nfs/dbraw/zinc/25/40/44/836254044.db2.gz JCNHWPDWGCOLJT-HUUCEWRRSA-N 2 1 356.536 0.914 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=S)NCCC[NH+]1CCOCC1 ZINC000748152311 836288444 /nfs/dbraw/zinc/28/84/44/836288444.db2.gz UUFQODQFVKXMJF-INIZCTEOSA-N 2 1 358.552 0.626 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001101342573 844151645 /nfs/dbraw/zinc/15/16/45/844151645.db2.gz ATMQREUSNYVYRT-ZBFHGGJFSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001101342573 844151654 /nfs/dbraw/zinc/15/16/54/844151654.db2.gz ATMQREUSNYVYRT-ZBFHGGJFSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351823 844155421 /nfs/dbraw/zinc/15/54/21/844155421.db2.gz NLQYAVIUHKOAGY-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363188 844160558 /nfs/dbraw/zinc/16/05/58/844160558.db2.gz QCTMOYAPILJUCU-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364431 844161137 /nfs/dbraw/zinc/16/11/37/844161137.db2.gz TZSLIYPWPHKNTE-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364431 844161145 /nfs/dbraw/zinc/16/11/45/844161145.db2.gz TZSLIYPWPHKNTE-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364431 844161152 /nfs/dbraw/zinc/16/11/52/844161152.db2.gz TZSLIYPWPHKNTE-FCEWJHQRSA-N 2 1 350.507 0.587 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365798 844162012 /nfs/dbraw/zinc/16/20/12/844162012.db2.gz JWMVSHZGKUTZBK-GJYPPUQNSA-N 2 1 353.507 0.506 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365798 844162017 /nfs/dbraw/zinc/16/20/17/844162017.db2.gz JWMVSHZGKUTZBK-GJYPPUQNSA-N 2 1 353.507 0.506 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365798 844162019 /nfs/dbraw/zinc/16/20/19/844162019.db2.gz JWMVSHZGKUTZBK-GJYPPUQNSA-N 2 1 353.507 0.506 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369857 844163462 /nfs/dbraw/zinc/16/34/62/844163462.db2.gz QUONINOPXLXMRL-SCTDSRPQSA-N 2 1 353.507 0.650 20 0 FCADMP COCC[N@H+]1C[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369680 844163585 /nfs/dbraw/zinc/16/35/85/844163585.db2.gz HNSNUIKMTYDQBL-SCTDSRPQSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393858 844172128 /nfs/dbraw/zinc/17/21/28/844172128.db2.gz IYHIUEWQDVDJOF-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393858 844172133 /nfs/dbraw/zinc/17/21/33/844172133.db2.gz IYHIUEWQDVDJOF-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393902 844174031 /nfs/dbraw/zinc/17/40/31/844174031.db2.gz KZLSEDUDRPMKLF-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393902 844174036 /nfs/dbraw/zinc/17/40/36/844174036.db2.gz KZLSEDUDRPMKLF-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101418464 844179891 /nfs/dbraw/zinc/17/98/91/844179891.db2.gz SXLGIUCNEMJNDA-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101418464 844179894 /nfs/dbraw/zinc/17/98/94/844179894.db2.gz SXLGIUCNEMJNDA-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101418464 844179897 /nfs/dbraw/zinc/17/98/97/844179897.db2.gz SXLGIUCNEMJNDA-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418135 844180700 /nfs/dbraw/zinc/18/07/00/844180700.db2.gz BEAVLNRVSKRPMD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418135 844180703 /nfs/dbraw/zinc/18/07/03/844180703.db2.gz BEAVLNRVSKRPMD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101418135 844180706 /nfs/dbraw/zinc/18/07/06/844180706.db2.gz BEAVLNRVSKRPMD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001101431197 844184424 /nfs/dbraw/zinc/18/44/24/844184424.db2.gz CPDWFDTWMPZQIR-WBVHZDCISA-N 2 1 369.531 0.297 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101431197 844184427 /nfs/dbraw/zinc/18/44/27/844184427.db2.gz CPDWFDTWMPZQIR-WBVHZDCISA-N 2 1 369.531 0.297 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](Cc3cnns3)C[C@@]2(C)C1 ZINC001101432176 844184445 /nfs/dbraw/zinc/18/44/45/844184445.db2.gz FTZPYWVZUSUCGG-CJNGLKHVSA-N 2 1 353.492 0.397 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](Cc3cnns3)C[C@@]2(C)C1 ZINC001101432176 844184448 /nfs/dbraw/zinc/18/44/48/844184448.db2.gz FTZPYWVZUSUCGG-CJNGLKHVSA-N 2 1 353.492 0.397 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437716 844186612 /nfs/dbraw/zinc/18/66/12/844186612.db2.gz KYHLMPUYTJMDTC-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061605285 836698376 /nfs/dbraw/zinc/69/83/76/836698376.db2.gz RLTFKRAEPANIMF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460523 844192637 /nfs/dbraw/zinc/19/26/37/844192637.db2.gz JJIUMJBHWTZJBQ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460523 844192640 /nfs/dbraw/zinc/19/26/40/844192640.db2.gz JJIUMJBHWTZJBQ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460523 844192646 /nfs/dbraw/zinc/19/26/46/844192646.db2.gz JJIUMJBHWTZJBQ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460523 844192648 /nfs/dbraw/zinc/19/26/48/844192648.db2.gz JJIUMJBHWTZJBQ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001062713956 836741685 /nfs/dbraw/zinc/74/16/85/836741685.db2.gz CYONFKBWEVGURG-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001062713956 836741692 /nfs/dbraw/zinc/74/16/92/836741692.db2.gz CYONFKBWEVGURG-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001062713956 836741702 /nfs/dbraw/zinc/74/17/02/836741702.db2.gz CYONFKBWEVGURG-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC2)CC[N@H+]1C ZINC001063365256 836764976 /nfs/dbraw/zinc/76/49/76/836764976.db2.gz OEYFUNMLNVDKDY-BMFZPTHFSA-N 2 1 350.507 0.822 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474229 844199168 /nfs/dbraw/zinc/19/91/68/844199168.db2.gz OAUSCWLVQORIMA-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101476205 844199993 /nfs/dbraw/zinc/19/99/93/844199993.db2.gz IAZABVPYNPFFEJ-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101476205 844199996 /nfs/dbraw/zinc/19/99/96/844199996.db2.gz IAZABVPYNPFFEJ-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101476205 844200000 /nfs/dbraw/zinc/20/00/00/844200000.db2.gz IAZABVPYNPFFEJ-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477090 844201376 /nfs/dbraw/zinc/20/13/76/844201376.db2.gz BZSPCPGYJWUKFW-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477090 844201386 /nfs/dbraw/zinc/20/13/86/844201386.db2.gz BZSPCPGYJWUKFW-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477090 844201394 /nfs/dbraw/zinc/20/13/94/844201394.db2.gz BZSPCPGYJWUKFW-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477243 844201823 /nfs/dbraw/zinc/20/18/23/844201823.db2.gz KGNOLLZPYCJJLL-APWZRJJASA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477243 844201831 /nfs/dbraw/zinc/20/18/31/844201831.db2.gz KGNOLLZPYCJJLL-APWZRJJASA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477243 844201833 /nfs/dbraw/zinc/20/18/33/844201833.db2.gz KGNOLLZPYCJJLL-APWZRJJASA-N 2 1 352.523 0.974 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001076365623 837991348 /nfs/dbraw/zinc/99/13/48/837991348.db2.gz GNCYWDUDIMXKPR-OKZBNKHCSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001076365623 837991355 /nfs/dbraw/zinc/99/13/55/837991355.db2.gz GNCYWDUDIMXKPR-OKZBNKHCSA-N 2 1 351.491 0.668 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418539 837998826 /nfs/dbraw/zinc/99/88/26/837998826.db2.gz COATZAOBIGCVGL-GVDBMIGSSA-N 2 1 350.507 0.903 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839041 838128684 /nfs/dbraw/zinc/12/86/84/838128684.db2.gz YKQBAJWNYXSZTH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839041 838128686 /nfs/dbraw/zinc/12/86/86/838128686.db2.gz YKQBAJWNYXSZTH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839041 838128691 /nfs/dbraw/zinc/12/86/91/838128691.db2.gz YKQBAJWNYXSZTH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839041 838128698 /nfs/dbraw/zinc/12/86/98/838128698.db2.gz YKQBAJWNYXSZTH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003143 838208106 /nfs/dbraw/zinc/20/81/06/838208106.db2.gz VAUUNLNARWKCJP-ARFHVFGLSA-N 2 1 364.515 0.497 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007581 838212872 /nfs/dbraw/zinc/21/28/72/838212872.db2.gz SLATYUFYODPGMD-BZUAXINKSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077007581 838212880 /nfs/dbraw/zinc/21/28/80/838212880.db2.gz SLATYUFYODPGMD-BZUAXINKSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023513 838223185 /nfs/dbraw/zinc/22/31/85/838223185.db2.gz DLNWSEAZPPLUBS-KBUPBQIOSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023513 838223192 /nfs/dbraw/zinc/22/31/92/838223192.db2.gz DLNWSEAZPPLUBS-KBUPBQIOSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023513 838223200 /nfs/dbraw/zinc/22/32/00/838223200.db2.gz DLNWSEAZPPLUBS-KBUPBQIOSA-N 2 1 352.504 0.496 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C1([NH+](C)C)CCC1 ZINC001077148677 838771244 /nfs/dbraw/zinc/77/12/44/838771244.db2.gz AEYYVFFBFRFPFC-RRFJBIMHSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C1([NH+](C)C)CCC1 ZINC001077148677 838771253 /nfs/dbraw/zinc/77/12/53/838771253.db2.gz AEYYVFFBFRFPFC-RRFJBIMHSA-N 2 1 354.495 0.201 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219544 838822640 /nfs/dbraw/zinc/82/26/40/838822640.db2.gz UDVCIDQVXAXCPI-GVDBMIGSSA-N 2 1 351.491 0.450 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2O)O1 ZINC001077220951 838824364 /nfs/dbraw/zinc/82/43/64/838824364.db2.gz WXXXMYRXCILLON-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2O)O1 ZINC001077220951 838824375 /nfs/dbraw/zinc/82/43/75/838824375.db2.gz WXXXMYRXCILLON-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2O)O1 ZINC001077220951 838824386 /nfs/dbraw/zinc/82/43/86/838824386.db2.gz WXXXMYRXCILLON-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)O1 ZINC001077220951 838824395 /nfs/dbraw/zinc/82/43/95/838824395.db2.gz WXXXMYRXCILLON-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077236153 838840859 /nfs/dbraw/zinc/84/08/59/838840859.db2.gz FVKKXLZREOZRPG-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077236153 838840866 /nfs/dbraw/zinc/84/08/66/838840866.db2.gz FVKKXLZREOZRPG-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077236153 838840874 /nfs/dbraw/zinc/84/08/74/838840874.db2.gz FVKKXLZREOZRPG-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077236153 838840882 /nfs/dbraw/zinc/84/08/82/838840882.db2.gz FVKKXLZREOZRPG-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077281101 838873014 /nfs/dbraw/zinc/87/30/14/838873014.db2.gz WGWACNNEASJPTM-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077281101 838873028 /nfs/dbraw/zinc/87/30/28/838873028.db2.gz WGWACNNEASJPTM-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077281101 838873037 /nfs/dbraw/zinc/87/30/37/838873037.db2.gz WGWACNNEASJPTM-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077281101 838873046 /nfs/dbraw/zinc/87/30/46/838873046.db2.gz WGWACNNEASJPTM-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299561 838886626 /nfs/dbraw/zinc/88/66/26/838886626.db2.gz HQGQLUHMAQCKRY-IAGOWNOFSA-N 2 1 351.491 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102049898 844396498 /nfs/dbraw/zinc/39/64/98/844396498.db2.gz JMLFGKCIECOHFS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102049898 844396503 /nfs/dbraw/zinc/39/65/03/844396503.db2.gz JMLFGKCIECOHFS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102049898 844396511 /nfs/dbraw/zinc/39/65/11/844396511.db2.gz JMLFGKCIECOHFS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050167 844396540 /nfs/dbraw/zinc/39/65/40/844396540.db2.gz YSZDLLBWXCGSQL-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102050167 844396546 /nfs/dbraw/zinc/39/65/46/844396546.db2.gz YSZDLLBWXCGSQL-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102050167 844396554 /nfs/dbraw/zinc/39/65/54/844396554.db2.gz YSZDLLBWXCGSQL-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077778282 839152321 /nfs/dbraw/zinc/15/23/21/839152321.db2.gz AOMIUOHHPSAAEZ-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cs1 ZINC001077778681 839153697 /nfs/dbraw/zinc/15/36/97/839153697.db2.gz WMSPXNPBTLUUEO-IAGOWNOFSA-N 2 1 366.531 0.887 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cs1 ZINC001077778681 839153701 /nfs/dbraw/zinc/15/37/01/839153701.db2.gz WMSPXNPBTLUUEO-IAGOWNOFSA-N 2 1 366.531 0.887 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001102085986 844407531 /nfs/dbraw/zinc/40/75/31/844407531.db2.gz LELBTTFVJWIKMZ-DJIMGWMZSA-N 2 1 352.523 0.927 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077888619 839208338 /nfs/dbraw/zinc/20/83/38/839208338.db2.gz MQUHNHBNZQBYSQ-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077888619 839208346 /nfs/dbraw/zinc/20/83/46/839208346.db2.gz MQUHNHBNZQBYSQ-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001078006056 839288192 /nfs/dbraw/zinc/28/81/92/839288192.db2.gz QYXXKHZNDOOHGG-FVQBIDKESA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001078006056 839288205 /nfs/dbraw/zinc/28/82/05/839288205.db2.gz QYXXKHZNDOOHGG-FVQBIDKESA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cs1 ZINC001078006056 839288217 /nfs/dbraw/zinc/28/82/17/839288217.db2.gz QYXXKHZNDOOHGG-FVQBIDKESA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cs1 ZINC001078006056 839288232 /nfs/dbraw/zinc/28/82/32/839288232.db2.gz QYXXKHZNDOOHGG-FVQBIDKESA-N 2 1 352.504 0.497 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006245 839288496 /nfs/dbraw/zinc/28/84/96/839288496.db2.gz XAJKXHJRIFKRBW-IAOVAPTHSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006245 839288508 /nfs/dbraw/zinc/28/85/08/839288508.db2.gz XAJKXHJRIFKRBW-IAOVAPTHSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006245 839288519 /nfs/dbraw/zinc/28/85/19/839288519.db2.gz XAJKXHJRIFKRBW-IAOVAPTHSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006245 839288531 /nfs/dbraw/zinc/28/85/31/839288531.db2.gz XAJKXHJRIFKRBW-IAOVAPTHSA-N 2 1 350.463 0.549 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001078012954 839291281 /nfs/dbraw/zinc/29/12/81/839291281.db2.gz KASOLQWRKPGBDY-ZIAGYGMSSA-N 2 1 350.488 0.517 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001078012954 839291291 /nfs/dbraw/zinc/29/12/91/839291291.db2.gz KASOLQWRKPGBDY-ZIAGYGMSSA-N 2 1 350.488 0.517 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102157963 844431958 /nfs/dbraw/zinc/43/19/58/844431958.db2.gz XATCRVGZVIEFEA-IIAWOOMASA-N 2 1 370.519 0.556 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102157963 844431965 /nfs/dbraw/zinc/43/19/65/844431965.db2.gz XATCRVGZVIEFEA-IIAWOOMASA-N 2 1 370.519 0.556 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215401 844447056 /nfs/dbraw/zinc/44/70/56/844447056.db2.gz PISHTBGUWBHEJA-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215401 844447063 /nfs/dbraw/zinc/44/70/63/844447063.db2.gz PISHTBGUWBHEJA-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723999 839580705 /nfs/dbraw/zinc/58/07/05/839580705.db2.gz UYUSVJOYLBUHCX-DTZQCDIJSA-N 2 1 366.531 0.995 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079723999 839580708 /nfs/dbraw/zinc/58/07/08/839580708.db2.gz UYUSVJOYLBUHCX-DTZQCDIJSA-N 2 1 366.531 0.995 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079723999 839580717 /nfs/dbraw/zinc/58/07/17/839580717.db2.gz UYUSVJOYLBUHCX-DTZQCDIJSA-N 2 1 366.531 0.995 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730873 839581672 /nfs/dbraw/zinc/58/16/72/839581672.db2.gz TYIUKCODNYWWHV-XLNGHYISSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001079730873 839581675 /nfs/dbraw/zinc/58/16/75/839581675.db2.gz TYIUKCODNYWWHV-XLNGHYISSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001079730873 839581682 /nfs/dbraw/zinc/58/16/82/839581682.db2.gz TYIUKCODNYWWHV-XLNGHYISSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001079730873 839581686 /nfs/dbraw/zinc/58/16/86/839581686.db2.gz TYIUKCODNYWWHV-XLNGHYISSA-N 2 1 350.507 0.774 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079806415 839597821 /nfs/dbraw/zinc/59/78/21/839597821.db2.gz GAPCYODKJRDVHB-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079806415 839597828 /nfs/dbraw/zinc/59/78/28/839597828.db2.gz GAPCYODKJRDVHB-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079806415 839597835 /nfs/dbraw/zinc/59/78/35/839597835.db2.gz GAPCYODKJRDVHB-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849705 839607587 /nfs/dbraw/zinc/60/75/87/839607587.db2.gz VWCFESIFARXBEB-HYVNUMGLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849705 839607598 /nfs/dbraw/zinc/60/75/98/839607598.db2.gz VWCFESIFARXBEB-HYVNUMGLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849705 839607606 /nfs/dbraw/zinc/60/76/06/839607606.db2.gz VWCFESIFARXBEB-HYVNUMGLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001079849705 839607616 /nfs/dbraw/zinc/60/76/16/839607616.db2.gz VWCFESIFARXBEB-HYVNUMGLSA-N 2 1 350.507 0.964 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288632 844458179 /nfs/dbraw/zinc/45/81/79/844458179.db2.gz NGBGTMHWVIMNQI-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288386 844458858 /nfs/dbraw/zinc/45/88/58/844458858.db2.gz AOKWMJILULKZCS-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254083 839692430 /nfs/dbraw/zinc/69/24/30/839692430.db2.gz FQARRIFUNFMYII-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254083 839692438 /nfs/dbraw/zinc/69/24/38/839692438.db2.gz FQARRIFUNFMYII-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443882 839725297 /nfs/dbraw/zinc/72/52/97/839725297.db2.gz FEKIPQOYCJNXKP-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080443882 839725304 /nfs/dbraw/zinc/72/53/04/839725304.db2.gz FEKIPQOYCJNXKP-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080443882 839725313 /nfs/dbraw/zinc/72/53/13/839725313.db2.gz FEKIPQOYCJNXKP-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080449491 839727258 /nfs/dbraw/zinc/72/72/58/839727258.db2.gz NDQSCNGASDMPCQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080449491 839727264 /nfs/dbraw/zinc/72/72/64/839727264.db2.gz NDQSCNGASDMPCQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080449491 839727267 /nfs/dbraw/zinc/72/72/67/839727267.db2.gz NDQSCNGASDMPCQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456281 839729171 /nfs/dbraw/zinc/72/91/71/839729171.db2.gz WWQPBNNSALNZFQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456281 839729174 /nfs/dbraw/zinc/72/91/74/839729174.db2.gz WWQPBNNSALNZFQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456281 839729177 /nfs/dbraw/zinc/72/91/77/839729177.db2.gz WWQPBNNSALNZFQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102316332 844465775 /nfs/dbraw/zinc/46/57/75/844465775.db2.gz PRWDMKMUAHAWJF-RHSMWYFYSA-N 2 1 350.507 0.539 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001080559013 839746201 /nfs/dbraw/zinc/74/62/01/839746201.db2.gz PSXCZBFZXLOURB-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080561128 839747272 /nfs/dbraw/zinc/74/72/72/839747272.db2.gz OMAWKDSJBLRRSW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080561128 839747276 /nfs/dbraw/zinc/74/72/76/839747276.db2.gz OMAWKDSJBLRRSW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080561128 839747282 /nfs/dbraw/zinc/74/72/82/839747282.db2.gz OMAWKDSJBLRRSW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558954 839747359 /nfs/dbraw/zinc/74/73/59/839747359.db2.gz MGTDPWDNXWLKQS-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935537 839836492 /nfs/dbraw/zinc/83/64/92/839836492.db2.gz YFEFNPTXOYABMZ-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935537 839836501 /nfs/dbraw/zinc/83/65/01/839836501.db2.gz YFEFNPTXOYABMZ-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935537 839836507 /nfs/dbraw/zinc/83/65/07/839836507.db2.gz YFEFNPTXOYABMZ-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935537 839836516 /nfs/dbraw/zinc/83/65/16/839836516.db2.gz YFEFNPTXOYABMZ-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370369 844477823 /nfs/dbraw/zinc/47/78/23/844477823.db2.gz YJUOXRDJEHMGBX-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370369 844477829 /nfs/dbraw/zinc/47/78/29/844477829.db2.gz YJUOXRDJEHMGBX-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001102370369 844477837 /nfs/dbraw/zinc/47/78/37/844477837.db2.gz YJUOXRDJEHMGBX-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848122 840063520 /nfs/dbraw/zinc/06/35/20/840063520.db2.gz NKURERCQYUUCLS-MWQQHZPXSA-N 2 1 367.515 0.825 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848122 840063528 /nfs/dbraw/zinc/06/35/28/840063528.db2.gz NKURERCQYUUCLS-MWQQHZPXSA-N 2 1 367.515 0.825 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848122 840063535 /nfs/dbraw/zinc/06/35/35/840063535.db2.gz NKURERCQYUUCLS-MWQQHZPXSA-N 2 1 367.515 0.825 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848122 840063547 /nfs/dbraw/zinc/06/35/47/840063547.db2.gz NKURERCQYUUCLS-MWQQHZPXSA-N 2 1 367.515 0.825 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893147 840089713 /nfs/dbraw/zinc/08/97/13/840089713.db2.gz CAPZJVFCEZQUMW-IAGOWNOFSA-N 2 1 351.491 0.999 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893147 840089721 /nfs/dbraw/zinc/08/97/21/840089721.db2.gz CAPZJVFCEZQUMW-IAGOWNOFSA-N 2 1 351.491 0.999 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894969 840091553 /nfs/dbraw/zinc/09/15/53/840091553.db2.gz LSVJOGISZRAING-BRWVUGGUSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468377 844510107 /nfs/dbraw/zinc/51/01/07/844510107.db2.gz FLMIIZLJIQWFLP-IAGOWNOFSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468377 844510113 /nfs/dbraw/zinc/51/01/13/844510113.db2.gz FLMIIZLJIQWFLP-IAGOWNOFSA-N 2 1 353.507 0.962 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137894 840206721 /nfs/dbraw/zinc/20/67/21/840206721.db2.gz GAQGGOMGPCIBQS-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137894 840206736 /nfs/dbraw/zinc/20/67/36/840206736.db2.gz GAQGGOMGPCIBQS-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137894 840206748 /nfs/dbraw/zinc/20/67/48/840206748.db2.gz GAQGGOMGPCIBQS-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473817 844515640 /nfs/dbraw/zinc/51/56/40/844515640.db2.gz RLQDYAYVTUKGKO-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102475629 844516387 /nfs/dbraw/zinc/51/63/87/844516387.db2.gz XDBYSUWAATUSPO-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202312 840235986 /nfs/dbraw/zinc/23/59/86/840235986.db2.gz REBLZRIXYRJMNU-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102487186 844523337 /nfs/dbraw/zinc/52/33/37/844523337.db2.gz ORHUYXROTAPSFO-HUUCEWRRSA-N 2 1 350.463 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102487186 844523347 /nfs/dbraw/zinc/52/33/47/844523347.db2.gz ORHUYXROTAPSFO-HUUCEWRRSA-N 2 1 350.463 0.970 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326736 840308653 /nfs/dbraw/zinc/30/86/53/840308653.db2.gz PCWVKIUXDORHOA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326736 840308674 /nfs/dbraw/zinc/30/86/74/840308674.db2.gz PCWVKIUXDORHOA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326736 840308685 /nfs/dbraw/zinc/30/86/85/840308685.db2.gz PCWVKIUXDORHOA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326736 840308697 /nfs/dbraw/zinc/30/86/97/840308697.db2.gz PCWVKIUXDORHOA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371527 840359768 /nfs/dbraw/zinc/35/97/68/840359768.db2.gz NAZDJGPPMOENOQ-BZUAXINKSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371527 840359781 /nfs/dbraw/zinc/35/97/81/840359781.db2.gz NAZDJGPPMOENOQ-BZUAXINKSA-N 2 1 350.463 0.822 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082544603 840457680 /nfs/dbraw/zinc/45/76/80/840457680.db2.gz KHACJXSCJPGHRA-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590416 840479234 /nfs/dbraw/zinc/47/92/34/840479234.db2.gz VSAARBZRMYUVFM-YLGOIMDESA-N 2 1 350.463 0.947 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590416 840479238 /nfs/dbraw/zinc/47/92/38/840479238.db2.gz VSAARBZRMYUVFM-YLGOIMDESA-N 2 1 350.463 0.947 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082608360 840491599 /nfs/dbraw/zinc/49/15/99/840491599.db2.gz SZPICMZYGJLJKQ-VNQPRFMTSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1nnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513439 844544303 /nfs/dbraw/zinc/54/43/03/844544303.db2.gz KVUYTPYISHRWCU-VNHYZAJKSA-N 2 1 352.483 0.436 20 0 FCADMP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513439 844544308 /nfs/dbraw/zinc/54/43/08/844544308.db2.gz KVUYTPYISHRWCU-VNHYZAJKSA-N 2 1 352.483 0.436 20 0 FCADMP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513438 844544422 /nfs/dbraw/zinc/54/44/22/844544422.db2.gz KVUYTPYISHRWCU-UMVBOHGHSA-N 2 1 352.483 0.436 20 0 FCADMP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513438 844544429 /nfs/dbraw/zinc/54/44/29/844544429.db2.gz KVUYTPYISHRWCU-UMVBOHGHSA-N 2 1 352.483 0.436 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513245 844544995 /nfs/dbraw/zinc/54/49/95/844544995.db2.gz BIGANFIBYAFNRN-NVXWUHKLSA-N 2 1 351.495 0.225 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515292 844546459 /nfs/dbraw/zinc/54/64/59/844546459.db2.gz NBIDYULHQLRCBC-KFWWJZLASA-N 2 1 350.463 0.453 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cscn1 ZINC001082653535 840513015 /nfs/dbraw/zinc/51/30/15/840513015.db2.gz PSSOOTAFVBJMJE-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cscn1 ZINC001082653535 840513025 /nfs/dbraw/zinc/51/30/25/840513025.db2.gz PSSOOTAFVBJMJE-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082719465 840535815 /nfs/dbraw/zinc/53/58/15/840535815.db2.gz LFFJSECSIAKGMD-UKRRQHHQSA-N 2 1 352.458 0.526 20 0 FCADMP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082744186 840544590 /nfs/dbraw/zinc/54/45/90/840544590.db2.gz WTWHVHBFYTUKJB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnc(CC)n2C)C[C@H]1C ZINC001102524733 844551895 /nfs/dbraw/zinc/55/18/95/844551895.db2.gz TYWSFBNATVYUHS-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnc(CC)n2C)C[C@H]1C ZINC001102524733 844551903 /nfs/dbraw/zinc/55/19/03/844551903.db2.gz TYWSFBNATVYUHS-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc(CC)n2C)C[C@H]1C ZINC001102524733 844551912 /nfs/dbraw/zinc/55/19/12/844551912.db2.gz TYWSFBNATVYUHS-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(CC)n2C)C[C@H]1C ZINC001102524733 844551915 /nfs/dbraw/zinc/55/19/15/844551915.db2.gz TYWSFBNATVYUHS-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC001082807360 840570071 /nfs/dbraw/zinc/57/00/71/840570071.db2.gz CWPXWLAPVVNLRM-SJLPKXTDSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082860000 840586772 /nfs/dbraw/zinc/58/67/72/840586772.db2.gz TWUVUUGQBMJLTE-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082861913 840588319 /nfs/dbraw/zinc/58/83/19/840588319.db2.gz SHLXOYZETZENAK-RBSFLKMASA-N 2 1 352.458 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082861913 840588324 /nfs/dbraw/zinc/58/83/24/840588324.db2.gz SHLXOYZETZENAK-RBSFLKMASA-N 2 1 352.458 0.526 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001082933650 840612882 /nfs/dbraw/zinc/61/28/82/840612882.db2.gz COBHTAICNCUPHX-XYPHTWIQSA-N 2 1 350.438 0.878 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001082933650 840612887 /nfs/dbraw/zinc/61/28/87/840612887.db2.gz COBHTAICNCUPHX-XYPHTWIQSA-N 2 1 350.438 0.878 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3oc(C)nc3C)C2)C1 ZINC001082933879 840613010 /nfs/dbraw/zinc/61/30/10/840613010.db2.gz NCHFCHWNZRXVQP-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3oc(C)nc3C)C2)C1 ZINC001082933879 840613018 /nfs/dbraw/zinc/61/30/18/840613018.db2.gz NCHFCHWNZRXVQP-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001082934794 840614278 /nfs/dbraw/zinc/61/42/78/840614278.db2.gz YKYYDVIELZWHFJ-FVQBIDKESA-N 2 1 369.897 0.694 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001082934794 840614282 /nfs/dbraw/zinc/61/42/82/840614282.db2.gz YKYYDVIELZWHFJ-FVQBIDKESA-N 2 1 369.897 0.694 20 0 FCADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106583 840715176 /nfs/dbraw/zinc/71/51/76/840715176.db2.gz KYDIVCTUGLQPRO-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106583 840715188 /nfs/dbraw/zinc/71/51/88/840715188.db2.gz KYDIVCTUGLQPRO-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106583 840715199 /nfs/dbraw/zinc/71/51/99/840715199.db2.gz KYDIVCTUGLQPRO-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106583 840715210 /nfs/dbraw/zinc/71/52/10/840715210.db2.gz KYDIVCTUGLQPRO-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192426 840787065 /nfs/dbraw/zinc/78/70/65/840787065.db2.gz BCZXPJGVKCLTEA-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192426 840787076 /nfs/dbraw/zinc/78/70/76/840787076.db2.gz BCZXPJGVKCLTEA-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192426 840787082 /nfs/dbraw/zinc/78/70/82/840787082.db2.gz BCZXPJGVKCLTEA-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579953 844575012 /nfs/dbraw/zinc/57/50/12/844575012.db2.gz YWBJGDUKZSFGCG-BRWVUGGUSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599240 844589796 /nfs/dbraw/zinc/58/97/96/844589796.db2.gz UYEZCTIIYNBJCN-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083455453 841020540 /nfs/dbraw/zinc/02/05/40/841020540.db2.gz DJDMUBZFQSMHFV-PMPSAXMXSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083455453 841020545 /nfs/dbraw/zinc/02/05/45/841020545.db2.gz DJDMUBZFQSMHFV-PMPSAXMXSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083455453 841020552 /nfs/dbraw/zinc/02/05/52/841020552.db2.gz DJDMUBZFQSMHFV-PMPSAXMXSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083455453 841020562 /nfs/dbraw/zinc/02/05/62/841020562.db2.gz DJDMUBZFQSMHFV-PMPSAXMXSA-N 2 1 352.504 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466250 841038234 /nfs/dbraw/zinc/03/82/34/841038234.db2.gz MNLVBHSEVHOXCS-KURKYZTESA-N 2 1 351.491 0.306 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519011 841115211 /nfs/dbraw/zinc/11/52/11/841115211.db2.gz ZJHFAXCRTNATAM-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519011 841115217 /nfs/dbraw/zinc/11/52/17/841115217.db2.gz ZJHFAXCRTNATAM-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083519011 841115223 /nfs/dbraw/zinc/11/52/23/841115223.db2.gz ZJHFAXCRTNATAM-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522251 841119593 /nfs/dbraw/zinc/11/95/93/841119593.db2.gz ZNRHKHBQDYSMEG-JQHSSLGASA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522251 841119596 /nfs/dbraw/zinc/11/95/96/841119596.db2.gz ZNRHKHBQDYSMEG-JQHSSLGASA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522251 841119597 /nfs/dbraw/zinc/11/95/97/841119597.db2.gz ZNRHKHBQDYSMEG-JQHSSLGASA-N 2 1 353.507 0.695 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573321 841188067 /nfs/dbraw/zinc/18/80/67/841188067.db2.gz FVKKXLZREOZRPG-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573321 841188070 /nfs/dbraw/zinc/18/80/70/841188070.db2.gz FVKKXLZREOZRPG-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573321 841188077 /nfs/dbraw/zinc/18/80/77/841188077.db2.gz FVKKXLZREOZRPG-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573321 841188081 /nfs/dbraw/zinc/18/80/81/841188081.db2.gz FVKKXLZREOZRPG-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)C1CCCC1 ZINC001083645362 841273289 /nfs/dbraw/zinc/27/32/89/841273289.db2.gz XOTFSPINSBKILF-IXDOHACOSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)C1CCCC1 ZINC001083645362 841273293 /nfs/dbraw/zinc/27/32/93/841273293.db2.gz XOTFSPINSBKILF-IXDOHACOSA-N 2 1 350.463 0.558 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083668865 841293596 /nfs/dbraw/zinc/29/35/96/841293596.db2.gz JLHPVPPVCXCKII-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083668865 841293611 /nfs/dbraw/zinc/29/36/11/841293611.db2.gz JLHPVPPVCXCKII-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083669097 841293979 /nfs/dbraw/zinc/29/39/79/841293979.db2.gz UCGAACFPQHJAHA-IKGGRYGDSA-N 2 1 364.515 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001083669097 841293986 /nfs/dbraw/zinc/29/39/86/841293986.db2.gz UCGAACFPQHJAHA-IKGGRYGDSA-N 2 1 364.515 0.721 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719537 841352803 /nfs/dbraw/zinc/35/28/03/841352803.db2.gz IPZRPNANFJRGCL-OIISXLGYSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719537 841352816 /nfs/dbraw/zinc/35/28/16/841352816.db2.gz IPZRPNANFJRGCL-OIISXLGYSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719537 841352827 /nfs/dbraw/zinc/35/28/27/841352827.db2.gz IPZRPNANFJRGCL-OIISXLGYSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719537 841352840 /nfs/dbraw/zinc/35/28/40/841352840.db2.gz IPZRPNANFJRGCL-OIISXLGYSA-N 2 1 366.531 0.969 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723537 841358412 /nfs/dbraw/zinc/35/84/12/841358412.db2.gz OKRFGYAXGYVYRW-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723537 841358423 /nfs/dbraw/zinc/35/84/23/841358423.db2.gz OKRFGYAXGYVYRW-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723537 841358431 /nfs/dbraw/zinc/35/84/31/841358431.db2.gz OKRFGYAXGYVYRW-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723537 841358443 /nfs/dbraw/zinc/35/84/43/841358443.db2.gz OKRFGYAXGYVYRW-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083727377 841367719 /nfs/dbraw/zinc/36/77/19/841367719.db2.gz ZSBYTMMNCOLTBH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083727377 841367730 /nfs/dbraw/zinc/36/77/30/841367730.db2.gz ZSBYTMMNCOLTBH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083727377 841367741 /nfs/dbraw/zinc/36/77/41/841367741.db2.gz ZSBYTMMNCOLTBH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001083750351 841393798 /nfs/dbraw/zinc/39/37/98/841393798.db2.gz RVDLJDHNKNHVJS-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778309 841423871 /nfs/dbraw/zinc/42/38/71/841423871.db2.gz IESAIVGINYECSP-YUELXQCFSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778309 841423874 /nfs/dbraw/zinc/42/38/74/841423874.db2.gz IESAIVGINYECSP-YUELXQCFSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778309 841423880 /nfs/dbraw/zinc/42/38/80/841423880.db2.gz IESAIVGINYECSP-YUELXQCFSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778309 841423883 /nfs/dbraw/zinc/42/38/83/841423883.db2.gz IESAIVGINYECSP-YUELXQCFSA-N 2 1 352.504 0.640 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083826124 841466727 /nfs/dbraw/zinc/46/67/27/841466727.db2.gz BGIOVKNZIBQICA-CVEARBPZSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083826124 841466728 /nfs/dbraw/zinc/46/67/28/841466728.db2.gz BGIOVKNZIBQICA-CVEARBPZSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083825958 841467121 /nfs/dbraw/zinc/46/71/21/841467121.db2.gz RRANXPDOHLBOAM-XHSDSOJGSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083825958 841467127 /nfs/dbraw/zinc/46/71/27/841467127.db2.gz RRANXPDOHLBOAM-XHSDSOJGSA-N 2 1 350.463 0.737 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083832917 841477343 /nfs/dbraw/zinc/47/73/43/841477343.db2.gz AIXNQIVABIWWMR-QLFBSQMISA-N 2 1 361.433 0.304 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083832917 841477347 /nfs/dbraw/zinc/47/73/47/841477347.db2.gz AIXNQIVABIWWMR-QLFBSQMISA-N 2 1 361.433 0.304 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCCC1 ZINC001083959556 841604895 /nfs/dbraw/zinc/60/48/95/841604895.db2.gz YPWNVNRMYVPNMI-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053948 841666786 /nfs/dbraw/zinc/66/67/86/841666786.db2.gz QGCSEBSDCAZSBI-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053948 841666789 /nfs/dbraw/zinc/66/67/89/841666789.db2.gz QGCSEBSDCAZSBI-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053948 841666790 /nfs/dbraw/zinc/66/67/90/841666790.db2.gz QGCSEBSDCAZSBI-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053948 841666793 /nfs/dbraw/zinc/66/67/93/841666793.db2.gz QGCSEBSDCAZSBI-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2O)o1 ZINC001084109103 841711298 /nfs/dbraw/zinc/71/12/98/841711298.db2.gz VWUPHEMYCWMSPT-BMFZPTHFSA-N 2 1 353.463 0.931 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)COC)C[C@@H]2O)o1 ZINC001084109103 841711303 /nfs/dbraw/zinc/71/13/03/841711303.db2.gz VWUPHEMYCWMSPT-BMFZPTHFSA-N 2 1 353.463 0.931 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001275878879 861243985 /nfs/dbraw/zinc/24/39/85/861243985.db2.gz MPWMHDNAYCDSLI-APWZRJJASA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878879 861244000 /nfs/dbraw/zinc/24/40/00/861244000.db2.gz MPWMHDNAYCDSLI-APWZRJJASA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878879 861244014 /nfs/dbraw/zinc/24/40/14/861244014.db2.gz MPWMHDNAYCDSLI-APWZRJJASA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001275878879 861244026 /nfs/dbraw/zinc/24/40/26/861244026.db2.gz MPWMHDNAYCDSLI-APWZRJJASA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275878879 861244039 /nfs/dbraw/zinc/24/40/39/861244039.db2.gz MPWMHDNAYCDSLI-APWZRJJASA-N 2 1 350.507 0.921 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879212 861244708 /nfs/dbraw/zinc/24/47/08/861244708.db2.gz OUKZEMLSFMIVDC-SJLPKXTDSA-N 2 1 371.547 0.687 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001084630486 841869753 /nfs/dbraw/zinc/86/97/53/841869753.db2.gz IKUZXVRAPBHTLL-USXIJHARSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001084630486 841869767 /nfs/dbraw/zinc/86/97/67/841869767.db2.gz IKUZXVRAPBHTLL-USXIJHARSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275880143 861247693 /nfs/dbraw/zinc/24/76/93/861247693.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 2 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275880143 861247707 /nfs/dbraw/zinc/24/77/07/861247707.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275880143 861247717 /nfs/dbraw/zinc/24/77/17/861247717.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275880143 861247731 /nfs/dbraw/zinc/24/77/31/861247731.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275880143 861247746 /nfs/dbraw/zinc/24/77/46/861247746.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 3 1 352.523 0.441 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001084722310 841900783 /nfs/dbraw/zinc/90/07/83/841900783.db2.gz JINYQTBRKFZORV-KZNAEPCWSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001084722310 841900784 /nfs/dbraw/zinc/90/07/84/841900784.db2.gz JINYQTBRKFZORV-KZNAEPCWSA-N 2 1 351.491 0.668 20 0 FCADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084957735 841969668 /nfs/dbraw/zinc/96/96/68/841969668.db2.gz TYWCIVUDSBXODX-NXHRZFHOSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084957735 841969676 /nfs/dbraw/zinc/96/96/76/841969676.db2.gz TYWCIVUDSBXODX-NXHRZFHOSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084957735 841969679 /nfs/dbraw/zinc/96/96/79/841969679.db2.gz TYWCIVUDSBXODX-NXHRZFHOSA-N 2 1 351.491 0.545 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958321 841969935 /nfs/dbraw/zinc/96/99/35/841969935.db2.gz VOMUBWQCSBBBBH-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958321 841969944 /nfs/dbraw/zinc/96/99/44/841969944.db2.gz VOMUBWQCSBBBBH-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958321 841969948 /nfs/dbraw/zinc/96/99/48/841969948.db2.gz VOMUBWQCSBBBBH-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1)[NH+](C)C ZINC001084964659 841972225 /nfs/dbraw/zinc/97/22/25/841972225.db2.gz KJQZYIICNVEKPE-HFTRVMKXSA-N 2 1 350.507 0.774 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049520 841998134 /nfs/dbraw/zinc/99/81/34/841998134.db2.gz HELUXHHYTJHXIS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049520 841998147 /nfs/dbraw/zinc/99/81/47/841998147.db2.gz HELUXHHYTJHXIS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085429223 842103115 /nfs/dbraw/zinc/10/31/15/842103115.db2.gz KZSUSIVKZSMGLP-BZUAXINKSA-N 2 1 350.467 0.053 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085429223 842103123 /nfs/dbraw/zinc/10/31/23/842103123.db2.gz KZSUSIVKZSMGLP-BZUAXINKSA-N 2 1 350.467 0.053 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001086400779 842130925 /nfs/dbraw/zinc/13/09/25/842130925.db2.gz XDQNBKQAFBHNFC-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001086400779 842130932 /nfs/dbraw/zinc/13/09/32/842130932.db2.gz XDQNBKQAFBHNFC-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086733888 842161361 /nfs/dbraw/zinc/16/13/61/842161361.db2.gz IYEILWZEWFUPLB-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086734168 842161860 /nfs/dbraw/zinc/16/18/60/842161860.db2.gz VYIGUBMYSDRKGL-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086731581 842161995 /nfs/dbraw/zinc/16/19/95/842161995.db2.gz SEDNRCDRJZNXFH-FAAHXZRKSA-N 2 1 367.519 0.940 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086731581 842161998 /nfs/dbraw/zinc/16/19/98/842161998.db2.gz SEDNRCDRJZNXFH-FAAHXZRKSA-N 2 1 367.519 0.940 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086873574 842186448 /nfs/dbraw/zinc/18/64/48/842186448.db2.gz OJTZKIMCEUCDTN-GVDBMIGSSA-N 2 1 350.507 0.825 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087035318 842231881 /nfs/dbraw/zinc/23/18/81/842231881.db2.gz WCFJDEXUELGSDO-QLFBSQMISA-N 2 1 367.519 0.894 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087077175 842271544 /nfs/dbraw/zinc/27/15/44/842271544.db2.gz KOSWHARFPIRXKN-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087077175 842271554 /nfs/dbraw/zinc/27/15/54/842271554.db2.gz KOSWHARFPIRXKN-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087084692 842277640 /nfs/dbraw/zinc/27/76/40/842277640.db2.gz ONKHZYBRCOFFMC-QLFBSQMISA-N 2 1 353.467 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087100311 842288930 /nfs/dbraw/zinc/28/89/30/842288930.db2.gz PGKLFORGKBRUNI-RBSFLKMASA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087100311 842288940 /nfs/dbraw/zinc/28/89/40/842288940.db2.gz PGKLFORGKBRUNI-RBSFLKMASA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087102127 842291087 /nfs/dbraw/zinc/29/10/87/842291087.db2.gz PLCRKHQZCPFZNO-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087102127 842291098 /nfs/dbraw/zinc/29/10/98/842291098.db2.gz PLCRKHQZCPFZNO-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CC(=O)N(C)C ZINC001087620889 842379361 /nfs/dbraw/zinc/37/93/61/842379361.db2.gz ANCFMYHBUMLODX-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001088090232 842529564 /nfs/dbraw/zinc/52/95/64/842529564.db2.gz DQFONQKYGGGIIB-CVEARBPZSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001088090232 842529572 /nfs/dbraw/zinc/52/95/72/842529572.db2.gz DQFONQKYGGGIIB-CVEARBPZSA-N 2 1 357.520 0.153 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088106994 842533570 /nfs/dbraw/zinc/53/35/70/842533570.db2.gz APKRTEQFXGBXFU-CVEARBPZSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088106994 842533576 /nfs/dbraw/zinc/53/35/76/842533576.db2.gz APKRTEQFXGBXFU-CVEARBPZSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088106994 842533578 /nfs/dbraw/zinc/53/35/78/842533578.db2.gz APKRTEQFXGBXFU-CVEARBPZSA-N 2 1 350.507 0.587 20 0 FCADMP COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154298 842546421 /nfs/dbraw/zinc/54/64/21/842546421.db2.gz GGYFIOAHZPKBBT-ZACQAIPSSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620563 842631990 /nfs/dbraw/zinc/63/19/90/842631990.db2.gz QOSAJXAPZGEUOQ-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620563 842631996 /nfs/dbraw/zinc/63/19/96/842631996.db2.gz QOSAJXAPZGEUOQ-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620563 842632004 /nfs/dbraw/zinc/63/20/04/842632004.db2.gz QOSAJXAPZGEUOQ-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620563 842632008 /nfs/dbraw/zinc/63/20/08/842632008.db2.gz QOSAJXAPZGEUOQ-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCN1CCCC1=O ZINC001088860218 842697142 /nfs/dbraw/zinc/69/71/42/842697142.db2.gz ABHMFIHBHPBLAW-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCN1CCCC1=O ZINC001088860218 842697148 /nfs/dbraw/zinc/69/71/48/842697148.db2.gz ABHMFIHBHPBLAW-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCN1CCCC1=O ZINC001088860218 842697152 /nfs/dbraw/zinc/69/71/52/842697152.db2.gz ABHMFIHBHPBLAW-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)[C@@H]2C)C1 ZINC001088860204 842697324 /nfs/dbraw/zinc/69/73/24/842697324.db2.gz ZJKYOVJKHZVUST-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)[C@@H]2C)C1 ZINC001088860204 842697327 /nfs/dbraw/zinc/69/73/27/842697327.db2.gz ZJKYOVJKHZVUST-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)[C@@H]2C)C1 ZINC001088860204 842697331 /nfs/dbraw/zinc/69/73/31/842697331.db2.gz ZJKYOVJKHZVUST-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)[C@@H]2C)C1 ZINC001088860204 842697333 /nfs/dbraw/zinc/69/73/33/842697333.db2.gz ZJKYOVJKHZVUST-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417190 842772840 /nfs/dbraw/zinc/77/28/40/842772840.db2.gz WCGZZEVOVBWXMO-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417190 842772846 /nfs/dbraw/zinc/77/28/46/842772846.db2.gz WCGZZEVOVBWXMO-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417190 842772849 /nfs/dbraw/zinc/77/28/49/842772849.db2.gz WCGZZEVOVBWXMO-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417190 842772855 /nfs/dbraw/zinc/77/28/55/842772855.db2.gz WCGZZEVOVBWXMO-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565341 843043009 /nfs/dbraw/zinc/04/30/09/843043009.db2.gz LNAJIRDBVXLQCS-KYJSFNMBSA-N 2 1 364.515 0.797 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565341 843043019 /nfs/dbraw/zinc/04/30/19/843043019.db2.gz LNAJIRDBVXLQCS-KYJSFNMBSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565341 843043024 /nfs/dbraw/zinc/04/30/24/843043024.db2.gz LNAJIRDBVXLQCS-KYJSFNMBSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565341 843043038 /nfs/dbraw/zinc/04/30/38/843043038.db2.gz LNAJIRDBVXLQCS-KYJSFNMBSA-N 2 1 364.515 0.797 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091735752 843085703 /nfs/dbraw/zinc/08/57/03/843085703.db2.gz WNBSVAQRGWFZPG-AYBZRNKSSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091735752 843085707 /nfs/dbraw/zinc/08/57/07/843085707.db2.gz WNBSVAQRGWFZPG-AYBZRNKSSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091735752 843085721 /nfs/dbraw/zinc/08/57/21/843085721.db2.gz WNBSVAQRGWFZPG-AYBZRNKSSA-N 2 1 351.491 0.402 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985231 843134510 /nfs/dbraw/zinc/13/45/10/843134510.db2.gz MAAULHFPQJRJCU-BJZITVGISA-N 2 1 350.507 0.632 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522522 843228179 /nfs/dbraw/zinc/22/81/79/843228179.db2.gz PYNQGIOJTJBKRU-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522522 843228190 /nfs/dbraw/zinc/22/81/90/843228190.db2.gz PYNQGIOJTJBKRU-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092522522 843228200 /nfs/dbraw/zinc/22/82/00/843228200.db2.gz PYNQGIOJTJBKRU-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092522522 843228212 /nfs/dbraw/zinc/22/82/12/843228212.db2.gz PYNQGIOJTJBKRU-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734728 843288584 /nfs/dbraw/zinc/28/85/84/843288584.db2.gz FRYNWTCJZXSEFJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734728 843288596 /nfs/dbraw/zinc/28/85/96/843288596.db2.gz FRYNWTCJZXSEFJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734728 843288606 /nfs/dbraw/zinc/28/86/06/843288606.db2.gz FRYNWTCJZXSEFJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001092907589 843338464 /nfs/dbraw/zinc/33/84/64/843338464.db2.gz RLLNCWXAWLVFHB-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001092907589 843338472 /nfs/dbraw/zinc/33/84/72/843338472.db2.gz RLLNCWXAWLVFHB-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001092907589 843338482 /nfs/dbraw/zinc/33/84/82/843338482.db2.gz RLLNCWXAWLVFHB-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120108 843393793 /nfs/dbraw/zinc/39/37/93/843393793.db2.gz BNXQPAGFKZEEAH-JKIFEVAISA-N 2 1 350.507 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195393 843403762 /nfs/dbraw/zinc/40/37/62/843403762.db2.gz PWRIWYQNVAMQIJ-DJIMGWMZSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195393 843403764 /nfs/dbraw/zinc/40/37/64/843403764.db2.gz PWRIWYQNVAMQIJ-DJIMGWMZSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195393 843403767 /nfs/dbraw/zinc/40/37/67/843403767.db2.gz PWRIWYQNVAMQIJ-DJIMGWMZSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093672787 843453681 /nfs/dbraw/zinc/45/36/81/843453681.db2.gz DHOZATZNTZHVNV-KFWWJZLASA-N 2 1 352.458 0.526 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001093673346 843453876 /nfs/dbraw/zinc/45/38/76/843453876.db2.gz OGKCNKQSCHMROY-MGPQQGTHSA-N 2 1 351.451 0.494 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001094110599 843516980 /nfs/dbraw/zinc/51/69/80/843516980.db2.gz IALOHKBXZSBGMD-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)C1 ZINC001094232087 843535564 /nfs/dbraw/zinc/53/55/64/843535564.db2.gz MFHSKUCYRGZICX-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)C1 ZINC001094232087 843535575 /nfs/dbraw/zinc/53/55/75/843535575.db2.gz MFHSKUCYRGZICX-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP COCC[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276357504 861427834 /nfs/dbraw/zinc/42/78/34/861427834.db2.gz NCQLPSIGZYZQTN-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP COCC[N@@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276357504 861427839 /nfs/dbraw/zinc/42/78/39/861427839.db2.gz NCQLPSIGZYZQTN-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP COCC[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276357504 861427844 /nfs/dbraw/zinc/42/78/44/861427844.db2.gz NCQLPSIGZYZQTN-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCO)CC3)C1 ZINC001094496860 843558456 /nfs/dbraw/zinc/55/84/56/843558456.db2.gz JWVVWHVOCARPTB-YQVWRLOYSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCO)CC3)C1 ZINC001094496860 843558469 /nfs/dbraw/zinc/55/84/69/843558469.db2.gz JWVVWHVOCARPTB-YQVWRLOYSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)C1 ZINC001094496860 843558479 /nfs/dbraw/zinc/55/84/79/843558479.db2.gz JWVVWHVOCARPTB-YQVWRLOYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094497024 843558545 /nfs/dbraw/zinc/55/85/45/843558545.db2.gz LRSTZVAYCHSFKI-FRQCXROJSA-N 2 1 350.507 0.955 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC001094497024 843558589 /nfs/dbraw/zinc/55/85/89/843558589.db2.gz LRSTZVAYCHSFKI-FRQCXROJSA-N 2 1 350.507 0.955 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC001094497024 843558595 /nfs/dbraw/zinc/55/85/95/843558595.db2.gz LRSTZVAYCHSFKI-FRQCXROJSA-N 2 1 350.507 0.955 20 0 FCADMP COCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001276369579 861432902 /nfs/dbraw/zinc/43/29/02/861432902.db2.gz WFXNLLIZLQLPCZ-SFHVURJKSA-N 2 1 350.463 0.861 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001096586382 843807944 /nfs/dbraw/zinc/80/79/44/843807944.db2.gz YKXNOOIBADEQQG-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001096586382 843807955 /nfs/dbraw/zinc/80/79/55/843807955.db2.gz YKXNOOIBADEQQG-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)C1 ZINC001096586382 843807966 /nfs/dbraw/zinc/80/79/66/843807966.db2.gz YKXNOOIBADEQQG-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)C1 ZINC001096586382 843807981 /nfs/dbraw/zinc/80/79/81/843807981.db2.gz YKXNOOIBADEQQG-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137649 843901644 /nfs/dbraw/zinc/90/16/44/843901644.db2.gz PVSPCHXZZJIXOA-SVGFKBNWSA-N 2 1 350.507 0.963 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137649 843901645 /nfs/dbraw/zinc/90/16/45/843901645.db2.gz PVSPCHXZZJIXOA-SVGFKBNWSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010928 843955781 /nfs/dbraw/zinc/95/57/81/843955781.db2.gz QCILMCOZLMCYPY-QOKNQOGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)C1 ZINC001099119810 843963946 /nfs/dbraw/zinc/96/39/46/843963946.db2.gz VMSVZGFYSDMKNP-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)C1 ZINC001099119810 843963951 /nfs/dbraw/zinc/96/39/51/843963951.db2.gz VMSVZGFYSDMKNP-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)C1 ZINC001099119810 843963956 /nfs/dbraw/zinc/96/39/56/843963956.db2.gz VMSVZGFYSDMKNP-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)C1 ZINC001099119810 843963960 /nfs/dbraw/zinc/96/39/60/843963960.db2.gz VMSVZGFYSDMKNP-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C(F)(F)F ZINC001099268640 843997758 /nfs/dbraw/zinc/99/77/58/843997758.db2.gz JFFPJQZBBALZEB-VXGBXAGGSA-N 2 1 362.396 0.327 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099285477 844004537 /nfs/dbraw/zinc/00/45/37/844004537.db2.gz ZSYUDTZQNVIWFE-YRGRVCCFSA-N 2 1 362.396 0.325 20 0 FCADMP CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001099288919 844006052 /nfs/dbraw/zinc/00/60/52/844006052.db2.gz WWSUYMYWQAETSG-GHMZBOCLSA-N 2 1 350.385 0.325 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780768 844646570 /nfs/dbraw/zinc/64/65/70/844646570.db2.gz NFEUNWLRWHAATP-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102780768 844646573 /nfs/dbraw/zinc/64/65/73/844646573.db2.gz NFEUNWLRWHAATP-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102780768 844646577 /nfs/dbraw/zinc/64/65/77/844646577.db2.gz NFEUNWLRWHAATP-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102977061 844677066 /nfs/dbraw/zinc/67/70/66/844677066.db2.gz KZTQNCKMGPAREV-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102977061 844677074 /nfs/dbraw/zinc/67/70/74/844677074.db2.gz KZTQNCKMGPAREV-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102977061 844677080 /nfs/dbraw/zinc/67/70/80/844677080.db2.gz KZTQNCKMGPAREV-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001102999841 844682341 /nfs/dbraw/zinc/68/23/41/844682341.db2.gz GDVRXSOVZZRMIK-OWCLPIDISA-N 2 1 351.495 0.513 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004970 844683138 /nfs/dbraw/zinc/68/31/38/844683138.db2.gz ILHIKMYEKXQVCV-QBPKDAKJSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103004970 844683144 /nfs/dbraw/zinc/68/31/44/844683144.db2.gz ILHIKMYEKXQVCV-QBPKDAKJSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103004970 844683149 /nfs/dbraw/zinc/68/31/49/844683149.db2.gz ILHIKMYEKXQVCV-QBPKDAKJSA-N 2 1 352.523 0.925 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103005013 844683525 /nfs/dbraw/zinc/68/35/25/844683525.db2.gz LCURXTAPEDWZNM-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103005013 844683528 /nfs/dbraw/zinc/68/35/28/844683528.db2.gz LCURXTAPEDWZNM-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103005013 844683534 /nfs/dbraw/zinc/68/35/34/844683534.db2.gz LCURXTAPEDWZNM-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103142766 844707468 /nfs/dbraw/zinc/70/74/68/844707468.db2.gz BHQORNDXKOCDED-IXDOHACOSA-N 2 1 355.523 0.800 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368098 844744687 /nfs/dbraw/zinc/74/46/87/844744687.db2.gz ORFBHRDIIUVIOL-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368098 844744693 /nfs/dbraw/zinc/74/46/93/844744693.db2.gz ORFBHRDIIUVIOL-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368098 844744698 /nfs/dbraw/zinc/74/46/98/844744698.db2.gz ORFBHRDIIUVIOL-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378868 844745692 /nfs/dbraw/zinc/74/56/92/844745692.db2.gz OQVPNVGISZVJOD-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537021 844775830 /nfs/dbraw/zinc/77/58/30/844775830.db2.gz ODBDSHJZCZJBON-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537021 844775837 /nfs/dbraw/zinc/77/58/37/844775837.db2.gz ODBDSHJZCZJBON-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570953 844783144 /nfs/dbraw/zinc/78/31/44/844783144.db2.gz NFGTUZJLRMQETL-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612614 844787364 /nfs/dbraw/zinc/78/73/64/844787364.db2.gz LYOBTEAAUPEQBH-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612614 844787368 /nfs/dbraw/zinc/78/73/68/844787368.db2.gz LYOBTEAAUPEQBH-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103612614 844787374 /nfs/dbraw/zinc/78/73/74/844787374.db2.gz LYOBTEAAUPEQBH-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP COC[C@@H](NC(=O)[C@@H]1CC12CC[NH+](CCC[NH+](C)C)CC2)C(=O)OC ZINC001276609929 861497538 /nfs/dbraw/zinc/49/75/38/861497538.db2.gz NADSJIMUZOBLFD-LSDHHAIUSA-N 2 1 355.479 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722473 844807008 /nfs/dbraw/zinc/80/70/08/844807008.db2.gz OQODCSLBUKNJAR-BRWVUGGUSA-N 2 1 371.547 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721626 844807377 /nfs/dbraw/zinc/80/73/77/844807377.db2.gz ZYAMMBDCUOSGFE-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721626 844807387 /nfs/dbraw/zinc/80/73/87/844807387.db2.gz ZYAMMBDCUOSGFE-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721626 844807391 /nfs/dbraw/zinc/80/73/91/844807391.db2.gz ZYAMMBDCUOSGFE-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755301 844816769 /nfs/dbraw/zinc/81/67/69/844816769.db2.gz AQCSOUOSUCFRSX-RBSFLKMASA-N 2 1 352.479 0.206 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755301 844816775 /nfs/dbraw/zinc/81/67/75/844816775.db2.gz AQCSOUOSUCFRSX-RBSFLKMASA-N 2 1 352.479 0.206 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755301 844816779 /nfs/dbraw/zinc/81/67/79/844816779.db2.gz AQCSOUOSUCFRSX-RBSFLKMASA-N 2 1 352.479 0.206 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103756863 844816990 /nfs/dbraw/zinc/81/69/90/844816990.db2.gz DQPISHMDLKNWPP-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103756863 844816995 /nfs/dbraw/zinc/81/69/95/844816995.db2.gz DQPISHMDLKNWPP-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103756863 844817000 /nfs/dbraw/zinc/81/70/00/844817000.db2.gz DQPISHMDLKNWPP-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103755438 844817308 /nfs/dbraw/zinc/81/73/08/844817308.db2.gz GZVOXBOFVYIQSC-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103755438 844817313 /nfs/dbraw/zinc/81/73/13/844817313.db2.gz GZVOXBOFVYIQSC-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103755438 844817315 /nfs/dbraw/zinc/81/73/15/844817315.db2.gz GZVOXBOFVYIQSC-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC(F)F ZINC001104034153 844856473 /nfs/dbraw/zinc/85/64/73/844856473.db2.gz VBEGBMLEAKIQBU-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC(F)F ZINC001104034153 844856477 /nfs/dbraw/zinc/85/64/77/844856477.db2.gz VBEGBMLEAKIQBU-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP CCOCCN1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629906 861505294 /nfs/dbraw/zinc/50/52/94/861505294.db2.gz COXBKHMRIFDXER-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@]3(C2)CN(CC(F)F)C(=O)CO3)CC1 ZINC001276636002 861507205 /nfs/dbraw/zinc/50/72/05/861507205.db2.gz GDFWMPJCDRLFGD-KRWDZBQOSA-N 2 1 360.449 0.192 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104265052 844886770 /nfs/dbraw/zinc/88/67/70/844886770.db2.gz QYTQQVPNOFHMOV-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679693 844932538 /nfs/dbraw/zinc/93/25/38/844932538.db2.gz MRPWUCIUWULFNT-GVDBMIGSSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001104794596 844944427 /nfs/dbraw/zinc/94/44/27/844944427.db2.gz CLGRDVYMYJUCGG-OAGGEKHMSA-N 2 1 354.495 0.047 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001104872528 844953705 /nfs/dbraw/zinc/95/37/05/844953705.db2.gz MISILSVMFQQHNY-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104908499 844958504 /nfs/dbraw/zinc/95/85/04/844958504.db2.gz ZJNMDVAVGGJGBW-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001104938347 844961285 /nfs/dbraw/zinc/96/12/85/844961285.db2.gz UVCDWKVIYYAEFU-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104938334 844961466 /nfs/dbraw/zinc/96/14/66/844961466.db2.gz UMELHSQSDDBSTJ-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001105007784 844968827 /nfs/dbraw/zinc/96/88/27/844968827.db2.gz GELQNXAKKLAJDK-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001105007832 844969019 /nfs/dbraw/zinc/96/90/19/844969019.db2.gz GRZOYOKHOHAHLQ-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)CC[N@H+]1C ZINC001106151408 845115150 /nfs/dbraw/zinc/11/51/50/845115150.db2.gz QYHSFIKTVLAWJD-WCXIOVBPSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106255552 845143993 /nfs/dbraw/zinc/14/39/93/845143993.db2.gz XLAXXOMHHGRNEA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106665062 845219176 /nfs/dbraw/zinc/21/91/76/845219176.db2.gz GENALIOCMJKOJB-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001106666016 845219356 /nfs/dbraw/zinc/21/93/56/845219356.db2.gz DYVWNDGTDQBQIE-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666676 845219858 /nfs/dbraw/zinc/21/98/58/845219858.db2.gz QDFUOBRZJDXROX-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106672853 845221092 /nfs/dbraw/zinc/22/10/92/845221092.db2.gz MCYYFZCBKMPRQV-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106840181 845265303 /nfs/dbraw/zinc/26/53/03/845265303.db2.gz BVXCNUPHUZMYNO-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001106840599 845265418 /nfs/dbraw/zinc/26/54/18/845265418.db2.gz WKDJFSAKBVAUKM-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106874922 845276484 /nfs/dbraw/zinc/27/64/84/845276484.db2.gz ZFAJGSMXRVYZSM-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001106909387 845284423 /nfs/dbraw/zinc/28/44/23/845284423.db2.gz HSXPLXLKPKDADB-HUUCEWRRSA-N 2 1 354.474 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106980765 845298479 /nfs/dbraw/zinc/29/84/79/845298479.db2.gz ARUCLFVMZWOXDR-FRRDWIJNSA-N 2 1 366.491 0.112 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107036676 845316120 /nfs/dbraw/zinc/31/61/20/845316120.db2.gz PCRMUFANWZNQRT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107036865 845317145 /nfs/dbraw/zinc/31/71/45/845317145.db2.gz TZLIEFUUJZYRAX-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001107042465 845318445 /nfs/dbraw/zinc/31/84/45/845318445.db2.gz NMTLOAAADPFXDW-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329327 845351960 /nfs/dbraw/zinc/35/19/60/845351960.db2.gz QKHBWAZIDBUWQG-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329327 845351966 /nfs/dbraw/zinc/35/19/66/845351966.db2.gz QKHBWAZIDBUWQG-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107329327 845351977 /nfs/dbraw/zinc/35/19/77/845351977.db2.gz QKHBWAZIDBUWQG-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438757 845372905 /nfs/dbraw/zinc/37/29/05/845372905.db2.gz IFKKWETZRCJLDF-SZVBFZGTSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449648 845375756 /nfs/dbraw/zinc/37/57/56/845375756.db2.gz RFHDCEUBVSXXOB-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107449648 845375761 /nfs/dbraw/zinc/37/57/61/845375761.db2.gz RFHDCEUBVSXXOB-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107449648 845375768 /nfs/dbraw/zinc/37/57/68/845375768.db2.gz RFHDCEUBVSXXOB-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC1CC1)CC2 ZINC001107614406 845409144 /nfs/dbraw/zinc/40/91/44/845409144.db2.gz AIZXBTMJNSOFLI-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107614406 845409150 /nfs/dbraw/zinc/40/91/50/845409150.db2.gz AIZXBTMJNSOFLI-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107614406 845409153 /nfs/dbraw/zinc/40/91/53/845409153.db2.gz AIZXBTMJNSOFLI-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCC3CC3)CCO2)CC[N@@H+]1C ZINC001107953177 845419312 /nfs/dbraw/zinc/41/93/12/845419312.db2.gz UCAHDWNUSFFGFN-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCC3CC3)CCO2)CC[N@H+]1C ZINC001107953177 845419318 /nfs/dbraw/zinc/41/93/18/845419318.db2.gz UCAHDWNUSFFGFN-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCOCC3CC3)CCO2)CC[NH+]1C ZINC001107953177 845419322 /nfs/dbraw/zinc/41/93/22/845419322.db2.gz UCAHDWNUSFFGFN-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCOCC3CC3)CCO2)CC[NH+]1C ZINC001107953177 845419324 /nfs/dbraw/zinc/41/93/24/845419324.db2.gz UCAHDWNUSFFGFN-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001109446774 845655583 /nfs/dbraw/zinc/65/55/83/845655583.db2.gz YPFQCAKIQFDUNH-QXSJWSMHSA-N 2 1 374.551 0.378 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001109446774 845655592 /nfs/dbraw/zinc/65/55/92/845655592.db2.gz YPFQCAKIQFDUNH-QXSJWSMHSA-N 2 1 374.551 0.378 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001109649948 845704539 /nfs/dbraw/zinc/70/45/39/845704539.db2.gz LCDZCUGMEWYEQD-FZKCQIBNSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001109649948 845704540 /nfs/dbraw/zinc/70/45/40/845704540.db2.gz LCDZCUGMEWYEQD-FZKCQIBNSA-N 2 1 369.531 0.484 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001109868601 845751373 /nfs/dbraw/zinc/75/13/73/845751373.db2.gz YDKYOHUTBYPURJ-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001109868601 845751377 /nfs/dbraw/zinc/75/13/77/845751377.db2.gz YDKYOHUTBYPURJ-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109932909 845763272 /nfs/dbraw/zinc/76/32/72/845763272.db2.gz YOWZSYRXWUGRTC-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109932909 845763274 /nfs/dbraw/zinc/76/32/74/845763274.db2.gz YOWZSYRXWUGRTC-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001109932909 845763276 /nfs/dbraw/zinc/76/32/76/845763276.db2.gz YOWZSYRXWUGRTC-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001110959713 846002355 /nfs/dbraw/zinc/00/23/55/846002355.db2.gz YLADCTVFZROXFD-ZACQAIPSSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001110959713 846002362 /nfs/dbraw/zinc/00/23/62/846002362.db2.gz YLADCTVFZROXFD-ZACQAIPSSA-N 2 1 371.547 0.875 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280427 846077804 /nfs/dbraw/zinc/07/78/04/846077804.db2.gz YBDGOWJPLHHTBH-LVQVYYBASA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280427 846077815 /nfs/dbraw/zinc/07/78/15/846077815.db2.gz YBDGOWJPLHHTBH-LVQVYYBASA-N 2 1 354.495 0.330 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001111308130 846082975 /nfs/dbraw/zinc/08/29/75/846082975.db2.gz JOSVZVUZIMGDHP-DGAVXFQQSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001111308130 846082980 /nfs/dbraw/zinc/08/29/80/846082980.db2.gz JOSVZVUZIMGDHP-DGAVXFQQSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001111308130 846082985 /nfs/dbraw/zinc/08/29/85/846082985.db2.gz JOSVZVUZIMGDHP-DGAVXFQQSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001111308130 846082989 /nfs/dbraw/zinc/08/29/89/846082989.db2.gz JOSVZVUZIMGDHP-DGAVXFQQSA-N 2 1 353.467 0.023 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001111433055 846110373 /nfs/dbraw/zinc/11/03/73/846110373.db2.gz NKVMZISQPQWHTQ-NCOADZHNSA-N 2 1 355.479 0.092 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001111433055 846110379 /nfs/dbraw/zinc/11/03/79/846110379.db2.gz NKVMZISQPQWHTQ-NCOADZHNSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)C1 ZINC001111433055 846110384 /nfs/dbraw/zinc/11/03/84/846110384.db2.gz NKVMZISQPQWHTQ-NCOADZHNSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOC)C1 ZINC001111433055 846110389 /nfs/dbraw/zinc/11/03/89/846110389.db2.gz NKVMZISQPQWHTQ-NCOADZHNSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111766944 846196143 /nfs/dbraw/zinc/19/61/43/846196143.db2.gz JLAQVQWONFHJKF-JZXOWHBKSA-N 2 1 359.486 0.646 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)CC1 ZINC001111860953 846232959 /nfs/dbraw/zinc/23/29/59/846232959.db2.gz KRAJZDPHGTWVKT-WMZOPIPTSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)CC1 ZINC001111860953 846232969 /nfs/dbraw/zinc/23/29/69/846232969.db2.gz KRAJZDPHGTWVKT-WMZOPIPTSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001111864241 846235704 /nfs/dbraw/zinc/23/57/04/846235704.db2.gz GSGHSGWRMKJJEK-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001111864314 846236248 /nfs/dbraw/zinc/23/62/48/846236248.db2.gz KDKBWWVJEJVKMS-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111910187 846257973 /nfs/dbraw/zinc/25/79/73/846257973.db2.gz SBCWWMZNYKCDEZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111909915 846258312 /nfs/dbraw/zinc/25/83/12/846258312.db2.gz NTVUKMMUOGTGJS-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111909915 846258324 /nfs/dbraw/zinc/25/83/24/846258324.db2.gz NTVUKMMUOGTGJS-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001111927829 846263172 /nfs/dbraw/zinc/26/31/72/846263172.db2.gz PKYXESOWHIBZDJ-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111927829 846263183 /nfs/dbraw/zinc/26/31/83/846263183.db2.gz PKYXESOWHIBZDJ-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111927829 846263194 /nfs/dbraw/zinc/26/31/94/846263194.db2.gz PKYXESOWHIBZDJ-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111949123 846271991 /nfs/dbraw/zinc/27/19/91/846271991.db2.gz OQBQGCNMKWJCGI-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCN(C)C1=O)C2 ZINC001111950796 846273001 /nfs/dbraw/zinc/27/30/01/846273001.db2.gz ALOSEARUMIYJGZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001111950796 846273007 /nfs/dbraw/zinc/27/30/07/846273007.db2.gz ALOSEARUMIYJGZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001111950796 846273011 /nfs/dbraw/zinc/27/30/11/846273011.db2.gz ALOSEARUMIYJGZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@]12CC[NH+](C1)CCC2 ZINC001111958139 846274484 /nfs/dbraw/zinc/27/44/84/846274484.db2.gz FGJMXRTZUMOGJC-WDSOQIARSA-N 2 1 351.491 0.452 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2)[C@@]12CC[N@H+](C1)CCC2 ZINC001111958139 846274495 /nfs/dbraw/zinc/27/44/95/846274495.db2.gz FGJMXRTZUMOGJC-WDSOQIARSA-N 2 1 351.491 0.452 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2)[C@@]12CC[N@@H+](C1)CCC2 ZINC001111958139 846274503 /nfs/dbraw/zinc/27/45/03/846274503.db2.gz FGJMXRTZUMOGJC-WDSOQIARSA-N 2 1 351.491 0.452 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984860 846281995 /nfs/dbraw/zinc/28/19/95/846281995.db2.gz RUWKYVVXIHILFE-WMZOPIPTSA-N 2 1 350.463 0.825 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984860 846282009 /nfs/dbraw/zinc/28/20/09/846282009.db2.gz RUWKYVVXIHILFE-WMZOPIPTSA-N 2 1 350.463 0.825 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001112009885 846295220 /nfs/dbraw/zinc/29/52/20/846295220.db2.gz YOUXNXVLYHSMTB-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001112009885 846295233 /nfs/dbraw/zinc/29/52/33/846295233.db2.gz YOUXNXVLYHSMTB-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001112009885 846295240 /nfs/dbraw/zinc/29/52/40/846295240.db2.gz YOUXNXVLYHSMTB-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CCOC(=O)CCC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276887877 861669800 /nfs/dbraw/zinc/66/98/00/861669800.db2.gz IOYVSTSBOACWGM-GOSISDBHSA-N 2 1 353.463 0.732 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103631 846383764 /nfs/dbraw/zinc/38/37/64/846383764.db2.gz REODRGMXQMAKQC-FDYHWXHSSA-N 2 1 364.412 0.442 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103631 846383777 /nfs/dbraw/zinc/38/37/77/846383777.db2.gz REODRGMXQMAKQC-FDYHWXHSSA-N 2 1 364.412 0.442 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112117935 846396499 /nfs/dbraw/zinc/39/64/99/846396499.db2.gz KCXKQFBGOJSTCJ-BZPMIXESSA-N 2 1 366.428 0.688 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160008 846425240 /nfs/dbraw/zinc/42/52/40/846425240.db2.gz MPHOCFPZNBIMHM-YNEHKIRRSA-N 2 1 366.428 0.832 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001112166205 846429520 /nfs/dbraw/zinc/42/95/20/846429520.db2.gz JHUKKGLKTAWGFM-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001112166205 846429527 /nfs/dbraw/zinc/42/95/27/846429527.db2.gz JHUKKGLKTAWGFM-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP CC(=O)[C@@H](C)[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899106 861676352 /nfs/dbraw/zinc/67/63/52/861676352.db2.gz GAEMXQXXSSTGKH-VQIMIIECSA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899106 861676358 /nfs/dbraw/zinc/67/63/58/861676358.db2.gz GAEMXQXXSSTGKH-VQIMIIECSA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@@H](C)[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899106 861676363 /nfs/dbraw/zinc/67/63/63/861676363.db2.gz GAEMXQXXSSTGKH-VQIMIIECSA-N 2 1 350.507 0.526 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)C(C)C ZINC001112180828 846440778 /nfs/dbraw/zinc/44/07/78/846440778.db2.gz QZNNDWMFIBILON-YRGRVCCFSA-N 2 1 366.428 0.817 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112190343 846450475 /nfs/dbraw/zinc/45/04/75/846450475.db2.gz WYPDDXHIXHGTDX-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112190373 846450683 /nfs/dbraw/zinc/45/06/83/846450683.db2.gz XZMDETOXCPBYAT-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112190373 846450689 /nfs/dbraw/zinc/45/06/89/846450689.db2.gz XZMDETOXCPBYAT-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112193344 846452833 /nfs/dbraw/zinc/45/28/33/846452833.db2.gz WCYOQTKKFXQKEC-MGPQQGTHSA-N 2 1 367.412 0.316 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112198106 846455287 /nfs/dbraw/zinc/45/52/87/846455287.db2.gz AWDNJRCIEAEBAW-JHJVBQTASA-N 2 1 366.428 0.784 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001112198133 846456452 /nfs/dbraw/zinc/45/64/52/846456452.db2.gz CJASVIBUDSYTNC-IJLUTSLNSA-N 2 1 352.401 0.571 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206525 846463140 /nfs/dbraw/zinc/46/31/40/846463140.db2.gz SNHVKKMACHBNFT-YNEHKIRRSA-N 2 1 364.412 0.395 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206525 846463145 /nfs/dbraw/zinc/46/31/45/846463145.db2.gz SNHVKKMACHBNFT-YNEHKIRRSA-N 2 1 364.412 0.395 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112212133 846469180 /nfs/dbraw/zinc/46/91/80/846469180.db2.gz PHIOAEVCFLANOQ-GRYCIOLGSA-N 2 1 350.385 0.194 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112212133 846469182 /nfs/dbraw/zinc/46/91/82/846469182.db2.gz PHIOAEVCFLANOQ-GRYCIOLGSA-N 2 1 350.385 0.194 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112349978 846495854 /nfs/dbraw/zinc/49/58/54/846495854.db2.gz CNQZHMPJLZHCDT-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401781 846502294 /nfs/dbraw/zinc/50/22/94/846502294.db2.gz XUHJFZLZBNJEAG-KXBFYZLASA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112529711 846515931 /nfs/dbraw/zinc/51/59/31/846515931.db2.gz LQVMFDHYUWPILG-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112579034 846529327 /nfs/dbraw/zinc/52/93/27/846529327.db2.gz TVRRUUUDSJCZGE-RDJZCZTQSA-N 2 1 368.503 0.454 20 0 FCADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCN3CC[NH2+]CC3)CC2)n1 ZINC001118289090 847364029 /nfs/dbraw/zinc/36/40/29/847364029.db2.gz SBOMWWWADZNNSV-HNNXBMFYSA-N 2 1 352.483 0.190 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)N1CC[NH+](C)CC1 ZINC001277248521 861804768 /nfs/dbraw/zinc/80/47/68/861804768.db2.gz VBYJDFHZYFEJLN-GOSISDBHSA-N 2 1 351.495 0.372 20 0 FCADMP [NH3+]CCc1nc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC001119377700 847827943 /nfs/dbraw/zinc/82/79/43/847827943.db2.gz RETXKCIRDCFEHV-AWEZNQCLSA-N 2 1 367.519 0.171 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120545221 848238376 /nfs/dbraw/zinc/23/83/76/848238376.db2.gz HEJIUEMYZASUHD-QLFBSQMISA-N 3 1 357.449 0.594 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001120545221 848238390 /nfs/dbraw/zinc/23/83/90/848238390.db2.gz HEJIUEMYZASUHD-QLFBSQMISA-N 2 1 357.449 0.594 20 0 FCADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120545222 848238632 /nfs/dbraw/zinc/23/86/32/848238632.db2.gz HEJIUEMYZASUHD-ZNMIVQPWSA-N 3 1 357.449 0.594 20 0 FCADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001120545222 848238641 /nfs/dbraw/zinc/23/86/41/848238641.db2.gz HEJIUEMYZASUHD-ZNMIVQPWSA-N 2 1 357.449 0.594 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@@H](C)C1 ZINC001120604768 848252159 /nfs/dbraw/zinc/25/21/59/848252159.db2.gz PMFLBYAIMYTTSH-FUHWJXTLSA-N 2 1 355.523 0.944 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@@H](C)C1 ZINC001120604768 848252154 /nfs/dbraw/zinc/25/21/54/848252154.db2.gz PMFLBYAIMYTTSH-FUHWJXTLSA-N 2 1 355.523 0.944 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCC[NH+]2C)CC1=O ZINC001120810731 848286973 /nfs/dbraw/zinc/28/69/73/848286973.db2.gz VHTZKZCQISNBDR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC001120810731 848286986 /nfs/dbraw/zinc/28/69/86/848286986.db2.gz VHTZKZCQISNBDR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2C)CC1=O ZINC001120810731 848286997 /nfs/dbraw/zinc/28/69/97/848286997.db2.gz VHTZKZCQISNBDR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC001123614691 848613265 /nfs/dbraw/zinc/61/32/65/848613265.db2.gz OUTDRXITMIURHG-HZPDHXFCSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC001123614691 848613271 /nfs/dbraw/zinc/61/32/71/848613271.db2.gz OUTDRXITMIURHG-HZPDHXFCSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001123614691 848613278 /nfs/dbraw/zinc/61/32/78/848613278.db2.gz OUTDRXITMIURHG-HZPDHXFCSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001123614691 848613283 /nfs/dbraw/zinc/61/32/83/848613283.db2.gz OUTDRXITMIURHG-HZPDHXFCSA-N 2 1 352.479 0.751 20 0 FCADMP COc1ccoc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277550400 861929674 /nfs/dbraw/zinc/92/96/74/861929674.db2.gz AIAFOOZJPCVMLS-GOSISDBHSA-N 2 1 351.447 0.901 20 0 FCADMP COc1ccoc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277550400 861929688 /nfs/dbraw/zinc/92/96/88/861929688.db2.gz AIAFOOZJPCVMLS-GOSISDBHSA-N 2 1 351.447 0.901 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127701704 848732927 /nfs/dbraw/zinc/73/29/27/848732927.db2.gz WQIFTTYUIZBEMQ-YNEHKIRRSA-N 2 1 364.412 0.586 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060819 848802140 /nfs/dbraw/zinc/80/21/40/848802140.db2.gz UZRPRQPOIDOWMN-PMPSAXMXSA-N 2 1 352.483 0.242 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060819 848802147 /nfs/dbraw/zinc/80/21/47/848802147.db2.gz UZRPRQPOIDOWMN-PMPSAXMXSA-N 2 1 352.483 0.242 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072022 848802745 /nfs/dbraw/zinc/80/27/45/848802745.db2.gz SVSIERRBWGOMID-OAGGEKHMSA-N 2 1 352.483 0.385 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072022 848802749 /nfs/dbraw/zinc/80/27/49/848802749.db2.gz SVSIERRBWGOMID-OAGGEKHMSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129327601 848831399 /nfs/dbraw/zinc/83/13/99/848831399.db2.gz VVINLCPYVPEIKZ-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129327601 848831402 /nfs/dbraw/zinc/83/14/02/848831402.db2.gz VVINLCPYVPEIKZ-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407557 848841227 /nfs/dbraw/zinc/84/12/27/848841227.db2.gz QDEHOUGWQYQALP-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407557 848841232 /nfs/dbraw/zinc/84/12/32/848841232.db2.gz QDEHOUGWQYQALP-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407557 848841237 /nfs/dbraw/zinc/84/12/37/848841237.db2.gz QDEHOUGWQYQALP-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684254 848881733 /nfs/dbraw/zinc/88/17/33/848881733.db2.gz GPWFUHSTPMNGPP-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895628 848909758 /nfs/dbraw/zinc/90/97/58/848909758.db2.gz GDQFXTUHDOFIKW-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130096983 848944482 /nfs/dbraw/zinc/94/44/82/848944482.db2.gz WZWYKIUJDRQVON-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130734278 849030915 /nfs/dbraw/zinc/03/09/15/849030915.db2.gz MRVUVRVWKSAAHC-DOTOQJQBSA-N 2 1 351.495 0.681 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130805161 849046735 /nfs/dbraw/zinc/04/67/35/849046735.db2.gz VUTJWKOMSYZKDE-UONOGXRCSA-N 2 1 352.483 0.838 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130346 849081971 /nfs/dbraw/zinc/08/19/71/849081971.db2.gz HQCJIAANLLLOKC-BZUAXINKSA-N 2 1 351.495 0.679 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131310563 849093621 /nfs/dbraw/zinc/09/36/21/849093621.db2.gz WBDDOOPNOVYJHI-KFWWJZLASA-N 2 1 352.479 0.843 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131310563 849093627 /nfs/dbraw/zinc/09/36/27/849093627.db2.gz WBDDOOPNOVYJHI-KFWWJZLASA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC)C[C@H]32)C1 ZINC001131310563 849093633 /nfs/dbraw/zinc/09/36/33/849093633.db2.gz WBDDOOPNOVYJHI-KFWWJZLASA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC)C[C@H]32)C1 ZINC001131310563 849093642 /nfs/dbraw/zinc/09/36/42/849093642.db2.gz WBDDOOPNOVYJHI-KFWWJZLASA-N 2 1 352.479 0.843 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131316068 849094618 /nfs/dbraw/zinc/09/46/18/849094618.db2.gz ALVKADALLHDHMN-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131316068 849094623 /nfs/dbraw/zinc/09/46/23/849094623.db2.gz ALVKADALLHDHMN-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC)C[C@H]32)C1 ZINC001131316068 849094625 /nfs/dbraw/zinc/09/46/25/849094625.db2.gz ALVKADALLHDHMN-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC)C[C@H]32)C1 ZINC001131316068 849094629 /nfs/dbraw/zinc/09/46/29/849094629.db2.gz ALVKADALLHDHMN-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131313383 849094856 /nfs/dbraw/zinc/09/48/56/849094856.db2.gz QAQIEVPMJZVWII-XHSDSOJGSA-N 2 1 350.463 0.454 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313265 849095374 /nfs/dbraw/zinc/09/53/74/849095374.db2.gz MGODPFSDYFIGNZ-XHSDSOJGSA-N 2 1 352.479 0.700 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131592959 849128661 /nfs/dbraw/zinc/12/86/61/849128661.db2.gz FBOIQUGWIGUDHO-WDYCEAGBSA-N 2 1 353.507 0.960 20 0 FCADMP CN1CCN(c2ncc(CN3CC([N@@H+](C)[C@@H]4CCOC4)C3)s2)CC1 ZINC001139323584 849335838 /nfs/dbraw/zinc/33/58/38/849335838.db2.gz NKWKPTOGCKEPNS-CQSZACIVSA-N 2 1 351.520 0.800 20 0 FCADMP CN(C1CN(Cc2cnc(N3CCN(C)CC3)s2)C1)[C@@H]1CCOC1 ZINC001139323584 849335842 /nfs/dbraw/zinc/33/58/42/849335842.db2.gz NKWKPTOGCKEPNS-CQSZACIVSA-N 2 1 351.520 0.800 20 0 FCADMP CCOCCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445287 849746112 /nfs/dbraw/zinc/74/61/12/849746112.db2.gz BMOHGOAEVRZRTA-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCOCCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445287 849746117 /nfs/dbraw/zinc/74/61/17/849746117.db2.gz BMOHGOAEVRZRTA-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCOCCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445287 849746121 /nfs/dbraw/zinc/74/61/21/849746121.db2.gz BMOHGOAEVRZRTA-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCOCCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445287 849746126 /nfs/dbraw/zinc/74/61/26/849746126.db2.gz BMOHGOAEVRZRTA-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484672 849748806 /nfs/dbraw/zinc/74/88/06/849748806.db2.gz FOWUEFFZPBMLNF-BFYDXBDKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CCOCCNC(C)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153484672 849748810 /nfs/dbraw/zinc/74/88/10/849748810.db2.gz FOWUEFFZPBMLNF-BFYDXBDKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CCOCCNC(C)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153484672 849748818 /nfs/dbraw/zinc/74/88/18/849748818.db2.gz FOWUEFFZPBMLNF-BFYDXBDKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@H+](CCc1cnn(C)c1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998470 849773894 /nfs/dbraw/zinc/77/38/94/849773894.db2.gz SHPYTPCOJQCXLM-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CC[N@@H+](CCc1cnn(C)c1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998470 849773903 /nfs/dbraw/zinc/77/39/03/849773903.db2.gz SHPYTPCOJQCXLM-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](CCc1cnn(C)c1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998470 849773914 /nfs/dbraw/zinc/77/39/14/849773914.db2.gz SHPYTPCOJQCXLM-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](CCc1cnn(C)c1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998470 849773918 /nfs/dbraw/zinc/77/39/18/849773918.db2.gz SHPYTPCOJQCXLM-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C1CCCC1 ZINC001154888755 849819304 /nfs/dbraw/zinc/81/93/04/849819304.db2.gz GMRPOCJXUNAOOO-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@@H+]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001157258923 849957939 /nfs/dbraw/zinc/95/79/39/849957939.db2.gz BNYAROSXBGZJRZ-SWLSCSKDSA-N 2 1 365.503 0.099 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001157258923 849957943 /nfs/dbraw/zinc/95/79/43/849957943.db2.gz BNYAROSXBGZJRZ-SWLSCSKDSA-N 2 1 365.503 0.099 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001158381152 850042382 /nfs/dbraw/zinc/04/23/82/850042382.db2.gz YRZMAEXWOJIVIH-IIAWOOMASA-N 2 1 350.463 0.720 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001158396662 850046620 /nfs/dbraw/zinc/04/66/20/850046620.db2.gz CLMLSWFPWIVENF-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC[N@H+]1C ZINC001158413162 850048830 /nfs/dbraw/zinc/04/88/30/850048830.db2.gz WSSKWCNCTSLCOR-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C[C@H]2CF)CC1 ZINC001158568221 850060664 /nfs/dbraw/zinc/06/06/64/850060664.db2.gz NOUZBLLGDPTNCR-BFYDXBDKSA-N 3 1 352.498 0.986 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903086 850083495 /nfs/dbraw/zinc/08/34/95/850083495.db2.gz MGOUMZHTYPZGMZ-CXAGYDPISA-N 3 1 351.426 0.013 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853937 850141424 /nfs/dbraw/zinc/14/14/24/850141424.db2.gz CJTSXNBCOLNEIF-UAGQMJEPSA-N 3 1 350.438 0.556 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853937 850141427 /nfs/dbraw/zinc/14/14/27/850141427.db2.gz CJTSXNBCOLNEIF-UAGQMJEPSA-N 2 1 350.438 0.556 20 0 FCADMP CCCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160169464 850156454 /nfs/dbraw/zinc/15/64/54/850156454.db2.gz RXXKFFRHFKIMIC-NVXWUHKLSA-N 2 1 350.507 0.991 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160169464 850156463 /nfs/dbraw/zinc/15/64/63/850156463.db2.gz RXXKFFRHFKIMIC-NVXWUHKLSA-N 2 1 350.507 0.991 20 0 FCADMP CCCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160169464 850156470 /nfs/dbraw/zinc/15/64/70/850156470.db2.gz RXXKFFRHFKIMIC-NVXWUHKLSA-N 2 1 350.507 0.991 20 0 FCADMP CCCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160169464 850156475 /nfs/dbraw/zinc/15/64/75/850156475.db2.gz RXXKFFRHFKIMIC-NVXWUHKLSA-N 2 1 350.507 0.991 20 0 FCADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160427674 850172677 /nfs/dbraw/zinc/17/26/77/850172677.db2.gz LVNYFUISTYGOBP-KBPBESRZSA-N 2 1 351.447 0.231 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](C[C@@H]3CCOC3)CC2)O1 ZINC001160466188 850173822 /nfs/dbraw/zinc/17/38/22/850173822.db2.gz CKWCHLMBXHLVPI-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](C[C@@H]3CCOC3)CC2)O1 ZINC001160466188 850173828 /nfs/dbraw/zinc/17/38/28/850173828.db2.gz CKWCHLMBXHLVPI-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](C[C@@H]3CCOC3)CC2)O1 ZINC001160466188 850173832 /nfs/dbraw/zinc/17/38/32/850173832.db2.gz CKWCHLMBXHLVPI-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](C[C@@H]3CCOC3)CC2)O1 ZINC001160466188 850173839 /nfs/dbraw/zinc/17/38/39/850173839.db2.gz CKWCHLMBXHLVPI-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160786757 850198450 /nfs/dbraw/zinc/19/84/50/850198450.db2.gz HYFHIYXZRRRAEP-WFASDCNBSA-N 2 1 351.451 0.458 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cc(CO)ccc2F)O1 ZINC001160851060 850204837 /nfs/dbraw/zinc/20/48/37/850204837.db2.gz OSSWFJWABFSVQC-CXAGYDPISA-N 2 1 353.438 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cc(CO)ccc2F)O1 ZINC001160851060 850204849 /nfs/dbraw/zinc/20/48/49/850204849.db2.gz OSSWFJWABFSVQC-CXAGYDPISA-N 2 1 353.438 0.633 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160911827 850213677 /nfs/dbraw/zinc/21/36/77/850213677.db2.gz IKHGNXBZTKIYHW-UHFFFAOYSA-N 2 1 353.854 0.841 20 0 FCADMP CSc1nc(Cl)cc(N2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)n1 ZINC001161054777 850225379 /nfs/dbraw/zinc/22/53/79/850225379.db2.gz VETKMORRDYANDE-JTQLQIEISA-N 2 1 358.899 0.567 20 0 FCADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001161158543 850236109 /nfs/dbraw/zinc/23/61/09/850236109.db2.gz WNNJNLCGZITSMZ-OAHLLOKOSA-N 3 1 354.495 0.191 20 0 FCADMP O=C([C@@H]1[C@@H]2C[NH2+]C[C@@H]21)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196504 850239084 /nfs/dbraw/zinc/23/90/84/850239084.db2.gz KFVXIVWMJQGAQL-BCDXTJNWSA-N 3 1 350.507 0.002 20 0 FCADMP CCN(CC)S(=O)(=O)c1ccc(NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC001161870852 850286638 /nfs/dbraw/zinc/28/66/38/850286638.db2.gz QCHLZOVDOOCRTH-UHFFFAOYSA-N 2 1 355.508 0.947 20 0 FCADMP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162283278 850306304 /nfs/dbraw/zinc/30/63/04/850306304.db2.gz UQAJDOFGBOWHJO-RBSFLKMASA-N 2 1 354.495 0.045 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833408 862121248 /nfs/dbraw/zinc/12/12/48/862121248.db2.gz DRGAXZBUOGGLFK-HKUYNNGSSA-N 3 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833408 862121255 /nfs/dbraw/zinc/12/12/55/862121255.db2.gz DRGAXZBUOGGLFK-HKUYNNGSSA-N 3 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834959 862122819 /nfs/dbraw/zinc/12/28/19/862122819.db2.gz KBIGVAOFTMSMKN-FUHWJXTLSA-N 2 1 350.463 0.802 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N1CC[C@H]([NH3+])C1 ZINC001164279625 850401673 /nfs/dbraw/zinc/40/16/73/850401673.db2.gz SEOWJYSFSIZRRF-ZFWWWQNUSA-N 2 1 350.463 0.725 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001164575557 850417828 /nfs/dbraw/zinc/41/78/28/850417828.db2.gz ACJLJWAMNRQUID-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001164578798 850417839 /nfs/dbraw/zinc/41/78/39/850417839.db2.gz SCUWJTWQWIOKRQ-JKSUJKDBSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cnns3)CC2)O1 ZINC001165728238 850453907 /nfs/dbraw/zinc/45/39/07/850453907.db2.gz NQHAJPBJOUQFJJ-TZMCWYRMSA-N 2 1 353.492 0.633 20 0 FCADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001168323161 850581982 /nfs/dbraw/zinc/58/19/82/850581982.db2.gz SLMWFKAMRFTLLO-NHHFINERSA-N 2 1 351.491 0.807 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2C1 ZINC001169140598 850607417 /nfs/dbraw/zinc/60/74/17/850607417.db2.gz SRYFIMHIDZIUGN-ALYAQQCSSA-N 2 1 356.536 0.672 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]2C1 ZINC001169140598 850607421 /nfs/dbraw/zinc/60/74/21/850607421.db2.gz SRYFIMHIDZIUGN-ALYAQQCSSA-N 2 1 356.536 0.672 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]2C1 ZINC001169140598 850607427 /nfs/dbraw/zinc/60/74/27/850607427.db2.gz SRYFIMHIDZIUGN-ALYAQQCSSA-N 2 1 356.536 0.672 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862239 850667543 /nfs/dbraw/zinc/66/75/43/850667543.db2.gz KBXQFSBXSKCBNY-BFHYXJOUSA-N 2 1 352.483 0.213 20 0 FCADMP C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501774 850686147 /nfs/dbraw/zinc/68/61/47/850686147.db2.gz WSONCZSGUBRZLF-RRFJBIMHSA-N 2 1 363.524 0.015 20 0 FCADMP C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501774 850686151 /nfs/dbraw/zinc/68/61/51/850686151.db2.gz WSONCZSGUBRZLF-RRFJBIMHSA-N 2 1 363.524 0.015 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1C ZINC001178522652 850904912 /nfs/dbraw/zinc/90/49/12/850904912.db2.gz NTZSNTSJHRSIIQ-RBSFLKMASA-N 2 1 351.499 0.878 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982843 850942716 /nfs/dbraw/zinc/94/27/16/850942716.db2.gz RXTLEFVVSXUGAV-FXUDXRNXSA-N 2 1 354.495 0.057 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982843 850942720 /nfs/dbraw/zinc/94/27/20/850942720.db2.gz RXTLEFVVSXUGAV-FXUDXRNXSA-N 2 1 354.495 0.057 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCCCP(CCC[NH3+])c2ccccc2)C1 ZINC001180762287 851064209 /nfs/dbraw/zinc/06/42/09/851064209.db2.gz LCVQYSGFSJOPPI-BPNWFJGMSA-N 2 1 351.431 0.980 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCCCP(CCC[NH3+])c2ccccc2)C1 ZINC001180762287 851064215 /nfs/dbraw/zinc/06/42/15/851064215.db2.gz LCVQYSGFSJOPPI-BPNWFJGMSA-N 2 1 351.431 0.980 20 0 FCADMP CC(C)N(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958467 851631533 /nfs/dbraw/zinc/63/15/33/851631533.db2.gz ZSIQFAJUGZOAIF-YYIAUSFCSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958467 851631541 /nfs/dbraw/zinc/63/15/41/851631541.db2.gz ZSIQFAJUGZOAIF-YYIAUSFCSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958467 851631546 /nfs/dbraw/zinc/63/15/46/851631546.db2.gz ZSIQFAJUGZOAIF-YYIAUSFCSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958467 851631552 /nfs/dbraw/zinc/63/15/52/851631552.db2.gz ZSIQFAJUGZOAIF-YYIAUSFCSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958467 851631558 /nfs/dbraw/zinc/63/15/58/851631558.db2.gz ZSIQFAJUGZOAIF-YYIAUSFCSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC)C[C@H]32)CC[N@@H+]1C ZINC001187963478 851632052 /nfs/dbraw/zinc/63/20/52/851632052.db2.gz ATISUSQFWFFVQU-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC)C[C@H]32)CC[N@H+]1C ZINC001187963478 851632058 /nfs/dbraw/zinc/63/20/58/851632058.db2.gz ATISUSQFWFFVQU-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)CC)C[C@H]32)CC[NH+]1C ZINC001187963478 851632067 /nfs/dbraw/zinc/63/20/67/851632067.db2.gz ATISUSQFWFFVQU-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC)C[C@H]32)CC[NH+]1C ZINC001187963478 851632072 /nfs/dbraw/zinc/63/20/72/851632072.db2.gz ATISUSQFWFFVQU-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689867 851720083 /nfs/dbraw/zinc/72/00/83/851720083.db2.gz FGEBHFIXBNNHIJ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689867 851720088 /nfs/dbraw/zinc/72/00/88/851720088.db2.gz FGEBHFIXBNNHIJ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018645 851742434 /nfs/dbraw/zinc/74/24/34/851742434.db2.gz SZCVETNGCMWGBR-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018645 851742442 /nfs/dbraw/zinc/74/24/42/851742442.db2.gz SZCVETNGCMWGBR-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189055034 851746585 /nfs/dbraw/zinc/74/65/85/851746585.db2.gz MXZDMOBESORMFC-LSDHHAIUSA-N 2 1 353.511 0.569 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001189111169 851754265 /nfs/dbraw/zinc/75/42/65/851754265.db2.gz WQDWLRKCCTYCOV-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001189111169 851754276 /nfs/dbraw/zinc/75/42/76/851754276.db2.gz WQDWLRKCCTYCOV-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544712 851799992 /nfs/dbraw/zinc/79/99/92/851799992.db2.gz SFIROCPSGJZYKM-XYJFISCASA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189659858 851812736 /nfs/dbraw/zinc/81/27/36/851812736.db2.gz JOAPTHGXWDVDPT-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189659858 851812747 /nfs/dbraw/zinc/81/27/47/851812747.db2.gz JOAPTHGXWDVDPT-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189659858 851812758 /nfs/dbraw/zinc/81/27/58/851812758.db2.gz JOAPTHGXWDVDPT-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189659858 851812769 /nfs/dbraw/zinc/81/27/69/851812769.db2.gz JOAPTHGXWDVDPT-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786632 851823745 /nfs/dbraw/zinc/82/37/45/851823745.db2.gz GPGNOKQPHDJUIS-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786632 851823748 /nfs/dbraw/zinc/82/37/48/851823748.db2.gz GPGNOKQPHDJUIS-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786632 851823751 /nfs/dbraw/zinc/82/37/51/851823751.db2.gz GPGNOKQPHDJUIS-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786632 851823753 /nfs/dbraw/zinc/82/37/53/851823753.db2.gz GPGNOKQPHDJUIS-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787046 851823787 /nfs/dbraw/zinc/82/37/87/851823787.db2.gz LMMMWRCJBXBYFN-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787046 851823791 /nfs/dbraw/zinc/82/37/91/851823791.db2.gz LMMMWRCJBXBYFN-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787046 851823795 /nfs/dbraw/zinc/82/37/95/851823795.db2.gz LMMMWRCJBXBYFN-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001189811134 851827079 /nfs/dbraw/zinc/82/70/79/851827079.db2.gz SJSFHSJNFLSCDP-GVDBMIGSSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907240 851839954 /nfs/dbraw/zinc/83/99/54/851839954.db2.gz ZZEAJJYUEPQWLQ-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907240 851839963 /nfs/dbraw/zinc/83/99/63/851839963.db2.gz ZZEAJJYUEPQWLQ-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907240 851839973 /nfs/dbraw/zinc/83/99/73/851839973.db2.gz ZZEAJJYUEPQWLQ-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907240 851839982 /nfs/dbraw/zinc/83/99/82/851839982.db2.gz ZZEAJJYUEPQWLQ-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189913739 851841754 /nfs/dbraw/zinc/84/17/54/851841754.db2.gz YVTYLKHTAQLSIR-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189913739 851841761 /nfs/dbraw/zinc/84/17/61/851841761.db2.gz YVTYLKHTAQLSIR-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189913739 851841769 /nfs/dbraw/zinc/84/17/69/851841769.db2.gz YVTYLKHTAQLSIR-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189913739 851841782 /nfs/dbraw/zinc/84/17/82/851841782.db2.gz YVTYLKHTAQLSIR-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149450 851867551 /nfs/dbraw/zinc/86/75/51/851867551.db2.gz ZHUMTHVXGSBIBX-GVDBMIGSSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149450 851867566 /nfs/dbraw/zinc/86/75/66/851867566.db2.gz ZHUMTHVXGSBIBX-GVDBMIGSSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149450 851867572 /nfs/dbraw/zinc/86/75/72/851867572.db2.gz ZHUMTHVXGSBIBX-GVDBMIGSSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149450 851867583 /nfs/dbraw/zinc/86/75/83/851867583.db2.gz ZHUMTHVXGSBIBX-GVDBMIGSSA-N 2 1 371.547 0.684 20 0 FCADMP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190222051 851878595 /nfs/dbraw/zinc/87/85/95/851878595.db2.gz YIHLUEBTZWTHQF-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001190237454 851881361 /nfs/dbraw/zinc/88/13/61/851881361.db2.gz CHGSFCMFARUWTP-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001190237454 851881364 /nfs/dbraw/zinc/88/13/64/851881364.db2.gz CHGSFCMFARUWTP-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001190237454 851881369 /nfs/dbraw/zinc/88/13/69/851881369.db2.gz CHGSFCMFARUWTP-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001190237454 851881372 /nfs/dbraw/zinc/88/13/72/851881372.db2.gz CHGSFCMFARUWTP-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001190237454 851881374 /nfs/dbraw/zinc/88/13/74/851881374.db2.gz CHGSFCMFARUWTP-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001190238026 851882646 /nfs/dbraw/zinc/88/26/46/851882646.db2.gz HZLRIMANBIPZQY-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001190238026 851882650 /nfs/dbraw/zinc/88/26/50/851882650.db2.gz HZLRIMANBIPZQY-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001190238026 851882663 /nfs/dbraw/zinc/88/26/63/851882663.db2.gz HZLRIMANBIPZQY-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001190238026 851882671 /nfs/dbraw/zinc/88/26/71/851882671.db2.gz HZLRIMANBIPZQY-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324779 851891974 /nfs/dbraw/zinc/89/19/74/851891974.db2.gz OQQNTJQOSYCFRT-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324779 851891977 /nfs/dbraw/zinc/89/19/77/851891977.db2.gz OQQNTJQOSYCFRT-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363014 851896141 /nfs/dbraw/zinc/89/61/41/851896141.db2.gz AENSBALSCGOVCZ-OWCLPIDISA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363014 851896144 /nfs/dbraw/zinc/89/61/44/851896144.db2.gz AENSBALSCGOVCZ-OWCLPIDISA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363014 851896148 /nfs/dbraw/zinc/89/61/48/851896148.db2.gz AENSBALSCGOVCZ-OWCLPIDISA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363014 851896153 /nfs/dbraw/zinc/89/61/53/851896153.db2.gz AENSBALSCGOVCZ-OWCLPIDISA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370268 851897703 /nfs/dbraw/zinc/89/77/03/851897703.db2.gz AOTPFGCQUHWAMA-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370268 851897711 /nfs/dbraw/zinc/89/77/11/851897711.db2.gz AOTPFGCQUHWAMA-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370268 851897717 /nfs/dbraw/zinc/89/77/17/851897717.db2.gz AOTPFGCQUHWAMA-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001190363669 851897946 /nfs/dbraw/zinc/89/79/46/851897946.db2.gz WBNUUUHHWOJJHR-DLBZAZTESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001190363669 851897951 /nfs/dbraw/zinc/89/79/51/851897951.db2.gz WBNUUUHHWOJJHR-DLBZAZTESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001190363669 851897956 /nfs/dbraw/zinc/89/79/56/851897956.db2.gz WBNUUUHHWOJJHR-DLBZAZTESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001190363669 851897959 /nfs/dbraw/zinc/89/79/59/851897959.db2.gz WBNUUUHHWOJJHR-DLBZAZTESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001190370899 851898621 /nfs/dbraw/zinc/89/86/21/851898621.db2.gz LBXJSADLPRXZQB-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001190370899 851898628 /nfs/dbraw/zinc/89/86/28/851898628.db2.gz LBXJSADLPRXZQB-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001190370899 851898634 /nfs/dbraw/zinc/89/86/34/851898634.db2.gz LBXJSADLPRXZQB-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001190370899 851898640 /nfs/dbraw/zinc/89/86/40/851898640.db2.gz LBXJSADLPRXZQB-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481598 851912099 /nfs/dbraw/zinc/91/20/99/851912099.db2.gz XFHZRRPUZRIAHL-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP COC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278457704 862334678 /nfs/dbraw/zinc/33/46/78/862334678.db2.gz MUSODTQTBOESHX-GOSISDBHSA-N 2 1 354.495 0.158 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278462875 862337638 /nfs/dbraw/zinc/33/76/38/862337638.db2.gz AAWYMFPYIOYCIM-GVDBMIGSSA-N 2 1 350.507 0.097 20 0 FCADMP CCC1(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)COC1 ZINC001278473758 862345153 /nfs/dbraw/zinc/34/51/53/862345153.db2.gz AUEVHQPPUQMGOI-IBGZPJMESA-N 2 1 352.523 0.631 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024401 852339756 /nfs/dbraw/zinc/33/97/56/852339756.db2.gz PRTANFZTCKVJBF-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1O ZINC001193103076 852355256 /nfs/dbraw/zinc/35/52/56/852355256.db2.gz SPBFAMOAECVVEB-ARFHVFGLSA-N 2 1 352.479 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1O ZINC001193103076 852355263 /nfs/dbraw/zinc/35/52/63/852355263.db2.gz SPBFAMOAECVVEB-ARFHVFGLSA-N 2 1 352.479 0.985 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447364 852429393 /nfs/dbraw/zinc/42/93/93/852429393.db2.gz PKIKIYLWVPTUIG-GVDBMIGSSA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O ZINC001193456703 852431246 /nfs/dbraw/zinc/43/12/46/852431246.db2.gz XDHHUNFMPUVLQA-GVDBMIGSSA-N 2 1 361.502 0.890 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1O ZINC001193456703 852431256 /nfs/dbraw/zinc/43/12/56/852431256.db2.gz XDHHUNFMPUVLQA-GVDBMIGSSA-N 2 1 361.502 0.890 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193961499 852516595 /nfs/dbraw/zinc/51/65/95/852516595.db2.gz SCGRAJFQIXJLLV-FMKPAKJESA-N 2 1 353.467 0.058 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193961499 852516604 /nfs/dbraw/zinc/51/66/04/852516604.db2.gz SCGRAJFQIXJLLV-FMKPAKJESA-N 2 1 353.467 0.058 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194244698 852564219 /nfs/dbraw/zinc/56/42/19/852564219.db2.gz WNAIPDXGMIJNRN-IXDOHACOSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194244698 852564226 /nfs/dbraw/zinc/56/42/26/852564226.db2.gz WNAIPDXGMIJNRN-IXDOHACOSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194244698 852564234 /nfs/dbraw/zinc/56/42/34/852564234.db2.gz WNAIPDXGMIJNRN-IXDOHACOSA-N 2 1 355.523 0.819 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399429 852591265 /nfs/dbraw/zinc/59/12/65/852591265.db2.gz CJZKIUMNADDLIW-IAGOWNOFSA-N 2 1 351.491 0.593 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399429 852591270 /nfs/dbraw/zinc/59/12/70/852591270.db2.gz CJZKIUMNADDLIW-IAGOWNOFSA-N 2 1 351.491 0.593 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001195214101 852725653 /nfs/dbraw/zinc/72/56/53/852725653.db2.gz GBIQLUMJUFUSOF-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001195214101 852725661 /nfs/dbraw/zinc/72/56/61/852725661.db2.gz GBIQLUMJUFUSOF-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)s1 ZINC001195654076 852805501 /nfs/dbraw/zinc/80/55/01/852805501.db2.gz LUIWJMOOJNGUHU-ZIAGYGMSSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)s1 ZINC001195654076 852805506 /nfs/dbraw/zinc/80/55/06/852805506.db2.gz LUIWJMOOJNGUHU-ZIAGYGMSSA-N 2 1 352.504 0.763 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001196090078 852889075 /nfs/dbraw/zinc/88/90/75/852889075.db2.gz GFLPDKMVIMPYAW-NUEKZKHPSA-N 2 1 350.463 0.808 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169114 852904356 /nfs/dbraw/zinc/90/43/56/852904356.db2.gz OSLRDCNJXCVMIK-BFHYXJOUSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169114 852904361 /nfs/dbraw/zinc/90/43/61/852904361.db2.gz OSLRDCNJXCVMIK-BFHYXJOUSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169114 852904370 /nfs/dbraw/zinc/90/43/70/852904370.db2.gz OSLRDCNJXCVMIK-BFHYXJOUSA-N 2 1 367.412 0.601 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197049361 853053405 /nfs/dbraw/zinc/05/34/05/853053405.db2.gz MVQVZVHUIAASLI-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP C[N@H+]1CCCN(Cc2cccc(C(=O)N(CC[NH3+])S(C)(=O)=O)c2)CC1 ZINC001197495417 853123495 /nfs/dbraw/zinc/12/34/95/853123495.db2.gz HRVSCHZXSBRREQ-UHFFFAOYSA-N 2 1 368.503 0.185 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197724023 853153333 /nfs/dbraw/zinc/15/33/33/853153333.db2.gz MWMLIOXIMDHGNA-IAGOWNOFSA-N 2 1 359.511 0.059 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1O ZINC001197825669 853167807 /nfs/dbraw/zinc/16/78/07/853167807.db2.gz FIOTXZCMPTZLHP-IAGOWNOFSA-N 2 1 353.438 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1O ZINC001197825669 853167810 /nfs/dbraw/zinc/16/78/10/853167810.db2.gz FIOTXZCMPTZLHP-IAGOWNOFSA-N 2 1 353.438 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1O ZINC001197826220 853168623 /nfs/dbraw/zinc/16/86/23/853168623.db2.gz RDGHIMDXSQJNIL-RBSFLKMASA-N 2 1 363.449 0.551 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001197826413 853169040 /nfs/dbraw/zinc/16/90/40/853169040.db2.gz WFPDWQDHAKWESR-RRFJBIMHSA-N 2 1 363.449 0.551 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197834046 853169738 /nfs/dbraw/zinc/16/97/38/853169738.db2.gz QMSBSGSVHAETBR-NVXWUHKLSA-N 2 1 350.463 0.738 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956141 853190895 /nfs/dbraw/zinc/19/08/95/853190895.db2.gz WAFDCTOFHDGZLE-ARFHVFGLSA-N 2 1 356.511 0.135 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956141 853190900 /nfs/dbraw/zinc/19/09/00/853190900.db2.gz WAFDCTOFHDGZLE-ARFHVFGLSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198047979 853211565 /nfs/dbraw/zinc/21/15/65/853211565.db2.gz QCMBDUYQRMTCIK-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198047979 853211573 /nfs/dbraw/zinc/21/15/73/853211573.db2.gz QCMBDUYQRMTCIK-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198047979 853211582 /nfs/dbraw/zinc/21/15/82/853211582.db2.gz QCMBDUYQRMTCIK-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198047979 853211590 /nfs/dbraw/zinc/21/15/90/853211590.db2.gz QCMBDUYQRMTCIK-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001198729489 853307319 /nfs/dbraw/zinc/30/73/19/853307319.db2.gz OQEJINYEGIIGTF-RCCFBDPRSA-N 2 1 353.507 0.983 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199023964 853356191 /nfs/dbraw/zinc/35/61/91/853356191.db2.gz WMFXMQDAVFMTLO-OPQOLIRYSA-N 2 1 353.507 0.839 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057104 853361467 /nfs/dbraw/zinc/36/14/67/853361467.db2.gz DRNNPIKHCZTXJE-OWCLPIDISA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057104 853361472 /nfs/dbraw/zinc/36/14/72/853361472.db2.gz DRNNPIKHCZTXJE-OWCLPIDISA-N 2 1 354.495 0.068 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1O ZINC001199104054 853370040 /nfs/dbraw/zinc/37/00/40/853370040.db2.gz IXMXVHOSNPHBCP-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001199104054 853370050 /nfs/dbraw/zinc/37/00/50/853370050.db2.gz IXMXVHOSNPHBCP-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001199104054 853370057 /nfs/dbraw/zinc/37/00/57/853370057.db2.gz IXMXVHOSNPHBCP-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001199104054 853370066 /nfs/dbraw/zinc/37/00/66/853370066.db2.gz IXMXVHOSNPHBCP-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2O)o1 ZINC001199337557 853410339 /nfs/dbraw/zinc/41/03/39/853410339.db2.gz YXTYJKISQBOUIJ-HZPDHXFCSA-N 2 1 353.463 0.933 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001199337488 853410651 /nfs/dbraw/zinc/41/06/51/853410651.db2.gz WGGYAUANONAMPG-HZPDHXFCSA-N 2 1 353.463 0.933 20 0 FCADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001199337488 853410656 /nfs/dbraw/zinc/41/06/56/853410656.db2.gz WGGYAUANONAMPG-HZPDHXFCSA-N 2 1 353.463 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001205334206 853603979 /nfs/dbraw/zinc/60/39/79/853603979.db2.gz FZBRSEYMNVKYGP-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205448987 853609287 /nfs/dbraw/zinc/60/92/87/853609287.db2.gz OLTNFKGENVQYHD-JKSUJKDBSA-N 2 1 350.438 0.537 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979240 853775461 /nfs/dbraw/zinc/77/54/61/853775461.db2.gz MJRCRZKAKTUBIO-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979240 853775474 /nfs/dbraw/zinc/77/54/74/853775474.db2.gz MJRCRZKAKTUBIO-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C(=O)N1CCO[C@@]2(C1)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397304 853808402 /nfs/dbraw/zinc/80/84/02/853808402.db2.gz IXGOQEDOAMNERQ-IBGZPJMESA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)C(=O)N1CCO[C@@]2(C1)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397304 853808408 /nfs/dbraw/zinc/80/84/08/853808408.db2.gz IXGOQEDOAMNERQ-IBGZPJMESA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+]1CCC(CN2CC[NH+](CC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001207449862 853815040 /nfs/dbraw/zinc/81/50/40/853815040.db2.gz AWMIRIXDZAXIJU-UHFFFAOYSA-N 2 1 372.579 0.617 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543572 853821853 /nfs/dbraw/zinc/82/18/53/853821853.db2.gz UCNVQPWIFYUFAC-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543573 853822294 /nfs/dbraw/zinc/82/22/94/853822294.db2.gz UCNVQPWIFYUFAC-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001207563044 853825915 /nfs/dbraw/zinc/82/59/15/853825915.db2.gz BKEFKYOOMAUBGZ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001207563044 853825918 /nfs/dbraw/zinc/82/59/18/853825918.db2.gz BKEFKYOOMAUBGZ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001207563044 853825921 /nfs/dbraw/zinc/82/59/21/853825921.db2.gz BKEFKYOOMAUBGZ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001207652640 853834335 /nfs/dbraw/zinc/83/43/35/853834335.db2.gz DPSCTCOSROCMOS-CPUCHLNUSA-N 2 1 352.479 0.158 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001207703296 853842967 /nfs/dbraw/zinc/84/29/67/853842967.db2.gz WMLWMIYNDYVGQG-FVQBIDKESA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001207703296 853842970 /nfs/dbraw/zinc/84/29/70/853842970.db2.gz WMLWMIYNDYVGQG-FVQBIDKESA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001207758158 853855045 /nfs/dbraw/zinc/85/50/45/853855045.db2.gz USYNDRKUUNZAOK-GDBMZVCRSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001207758158 853855050 /nfs/dbraw/zinc/85/50/50/853855050.db2.gz USYNDRKUUNZAOK-GDBMZVCRSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001207758158 853855056 /nfs/dbraw/zinc/85/50/56/853855056.db2.gz USYNDRKUUNZAOK-GDBMZVCRSA-N 2 1 356.511 0.306 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207862184 853864750 /nfs/dbraw/zinc/86/47/50/853864750.db2.gz ALRNVSBYBKTGQW-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207862184 853864758 /nfs/dbraw/zinc/86/47/58/853864758.db2.gz ALRNVSBYBKTGQW-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001208070159 853890625 /nfs/dbraw/zinc/89/06/25/853890625.db2.gz FJRYTLGVLWYLCE-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445238 853935655 /nfs/dbraw/zinc/93/56/55/853935655.db2.gz XGCWKMQZQXUFOA-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485834 853940641 /nfs/dbraw/zinc/94/06/41/853940641.db2.gz SYGWWCDLPUYNTH-KBAYOESNSA-N 2 1 355.523 0.798 20 0 FCADMP CC(=O)N1CCC(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001208675209 853965406 /nfs/dbraw/zinc/96/54/06/853965406.db2.gz LPFIQHQIYMASSG-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515193 854033579 /nfs/dbraw/zinc/03/35/79/854033579.db2.gz SJCNVDSKMWKBIS-RBSFLKMASA-N 2 1 361.433 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515193 854033584 /nfs/dbraw/zinc/03/35/84/854033584.db2.gz SJCNVDSKMWKBIS-RBSFLKMASA-N 2 1 361.433 0.569 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209562655 854039445 /nfs/dbraw/zinc/03/94/45/854039445.db2.gz UPYWPMVIVAJVLD-ZIAGYGMSSA-N 2 1 355.483 0.130 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209562655 854039457 /nfs/dbraw/zinc/03/94/57/854039457.db2.gz UPYWPMVIVAJVLD-ZIAGYGMSSA-N 2 1 355.483 0.130 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209562655 854039464 /nfs/dbraw/zinc/03/94/64/854039464.db2.gz UPYWPMVIVAJVLD-ZIAGYGMSSA-N 2 1 355.483 0.130 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209562655 854039472 /nfs/dbraw/zinc/03/94/72/854039472.db2.gz UPYWPMVIVAJVLD-ZIAGYGMSSA-N 2 1 355.483 0.130 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001209634885 854042585 /nfs/dbraw/zinc/04/25/85/854042585.db2.gz KXHNHYBTTHRBDN-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835821 854056740 /nfs/dbraw/zinc/05/67/40/854056740.db2.gz AIZIRXWCFMIJFA-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040389 854072419 /nfs/dbraw/zinc/07/24/19/854072419.db2.gz GEPCTUNHVQADNQ-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040389 854072424 /nfs/dbraw/zinc/07/24/24/854072424.db2.gz GEPCTUNHVQADNQ-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040389 854072428 /nfs/dbraw/zinc/07/24/28/854072428.db2.gz GEPCTUNHVQADNQ-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041943 854072572 /nfs/dbraw/zinc/07/25/72/854072572.db2.gz ZLCSUCGYHXKELC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041943 854072576 /nfs/dbraw/zinc/07/25/76/854072576.db2.gz ZLCSUCGYHXKELC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041943 854072581 /nfs/dbraw/zinc/07/25/81/854072581.db2.gz ZLCSUCGYHXKELC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041943 854072583 /nfs/dbraw/zinc/07/25/83/854072583.db2.gz ZLCSUCGYHXKELC-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298659 854097421 /nfs/dbraw/zinc/09/74/21/854097421.db2.gz QOPMKDMQQDLUPG-OWCLPIDISA-N 2 1 356.511 0.256 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330176 854101789 /nfs/dbraw/zinc/10/17/89/854101789.db2.gz QIRCLJJRSPDPIC-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330176 854101793 /nfs/dbraw/zinc/10/17/93/854101793.db2.gz QIRCLJJRSPDPIC-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350700 854179178 /nfs/dbraw/zinc/17/91/78/854179178.db2.gz VGKOSAVDUPRLKF-HLLBOEOZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367740 854181753 /nfs/dbraw/zinc/18/17/53/854181753.db2.gz YOKGGRZZQAYBHY-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367740 854181754 /nfs/dbraw/zinc/18/17/54/854181754.db2.gz YOKGGRZZQAYBHY-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367740 854181759 /nfs/dbraw/zinc/18/17/59/854181759.db2.gz YOKGGRZZQAYBHY-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367740 854181762 /nfs/dbraw/zinc/18/17/62/854181762.db2.gz YOKGGRZZQAYBHY-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293304 854430831 /nfs/dbraw/zinc/43/08/31/854430831.db2.gz DNVIJZJWZJCLJQ-RBSFLKMASA-N 2 1 361.433 0.425 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293304 854430835 /nfs/dbraw/zinc/43/08/35/854430835.db2.gz DNVIJZJWZJCLJQ-RBSFLKMASA-N 2 1 361.433 0.425 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459117 854487702 /nfs/dbraw/zinc/48/77/02/854487702.db2.gz XNBXMSHLWMDOFW-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342060 854581799 /nfs/dbraw/zinc/58/17/99/854581799.db2.gz FGQPGTYABPXQRR-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346374 854583113 /nfs/dbraw/zinc/58/31/13/854583113.db2.gz KEVAOULQZNJTDO-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346374 854583123 /nfs/dbraw/zinc/58/31/23/854583123.db2.gz KEVAOULQZNJTDO-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348842 854584440 /nfs/dbraw/zinc/58/44/40/854584440.db2.gz WWUMBXCDJXMSLU-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729961 854739617 /nfs/dbraw/zinc/73/96/17/854739617.db2.gz ABMGINJLSBOYNV-GVDBMIGSSA-N 2 1 357.495 0.197 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730224 854740537 /nfs/dbraw/zinc/74/05/37/854740537.db2.gz JCHTVLUNINIQDH-BZUAXINKSA-N 2 1 357.495 0.195 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753192 854751844 /nfs/dbraw/zinc/75/18/44/854751844.db2.gz BVXFVOWDEPTGRD-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753192 854751847 /nfs/dbraw/zinc/75/18/47/854751847.db2.gz BVXFVOWDEPTGRD-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754299 854751887 /nfs/dbraw/zinc/75/18/87/854751887.db2.gz XJDRBFJTPATMDM-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754299 854751890 /nfs/dbraw/zinc/75/18/90/854751890.db2.gz XJDRBFJTPATMDM-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213769272 854760289 /nfs/dbraw/zinc/76/02/89/854760289.db2.gz MSFWBNXYTCSKDA-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213769272 854760297 /nfs/dbraw/zinc/76/02/97/854760297.db2.gz MSFWBNXYTCSKDA-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213769272 854760300 /nfs/dbraw/zinc/76/03/00/854760300.db2.gz MSFWBNXYTCSKDA-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863287 854797100 /nfs/dbraw/zinc/79/71/00/854797100.db2.gz JFKOSMHPBPFUDG-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914735 854821777 /nfs/dbraw/zinc/82/17/77/854821777.db2.gz USUKSKNFQTVSFY-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001214336079 854927000 /nfs/dbraw/zinc/92/70/00/854927000.db2.gz TUKLZFFLHMFLIV-MCIONIFRSA-N 2 1 365.503 0.637 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001214336080 854927537 /nfs/dbraw/zinc/92/75/37/854927537.db2.gz TUKLZFFLHMFLIV-MGPQQGTHSA-N 2 1 365.503 0.637 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)s1 ZINC001214344790 854928533 /nfs/dbraw/zinc/92/85/33/854928533.db2.gz YMEPSTBQUIPZHL-RTXFEEFZSA-N 2 1 366.491 0.316 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861310 855025014 /nfs/dbraw/zinc/02/50/14/855025014.db2.gz QCPGOBZOFJNPKW-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001215003484 855050981 /nfs/dbraw/zinc/05/09/81/855050981.db2.gz FTUDZYKSRLMPFU-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215567977 855128815 /nfs/dbraw/zinc/12/88/15/855128815.db2.gz JKHUKQGHOGZYPE-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001215563490 855129091 /nfs/dbraw/zinc/12/90/91/855129091.db2.gz IQGDDQRWUZVGHS-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001216213790 855179109 /nfs/dbraw/zinc/17/91/09/855179109.db2.gz RDAGNQIRRLEGOM-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216221589 855180618 /nfs/dbraw/zinc/18/06/18/855180618.db2.gz JAKRKZAAHRSZTI-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001216498895 855207937 /nfs/dbraw/zinc/20/79/37/855207937.db2.gz AKUCFSMXBHDJLE-CHWSQXEVSA-N 2 1 353.492 0.860 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)(F)F)C2)C1 ZINC001216801886 855246693 /nfs/dbraw/zinc/24/66/93/855246693.db2.gz WSCJXYDFOYHNKM-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)(F)F)C2)C1 ZINC001216801886 855246705 /nfs/dbraw/zinc/24/67/05/855246705.db2.gz WSCJXYDFOYHNKM-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216844879 855256757 /nfs/dbraw/zinc/25/67/57/855256757.db2.gz MRHJAEQLRACDFZ-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001217735363 855370338 /nfs/dbraw/zinc/37/03/38/855370338.db2.gz NAQZOWMJWCMCHZ-IHRRRGAJSA-N 2 1 353.467 0.883 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001217746726 855371782 /nfs/dbraw/zinc/37/17/82/855371782.db2.gz RHVYNDMBQPNPPW-QCQGSNGOSA-N 2 1 353.467 0.711 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218108356 855398317 /nfs/dbraw/zinc/39/83/17/855398317.db2.gz CEGCXVSUJAKDBE-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001218108356 855398322 /nfs/dbraw/zinc/39/83/22/855398322.db2.gz CEGCXVSUJAKDBE-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001218108356 855398328 /nfs/dbraw/zinc/39/83/28/855398328.db2.gz CEGCXVSUJAKDBE-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001218703722 855467489 /nfs/dbraw/zinc/46/74/89/855467489.db2.gz OIOMDKDAABDENM-JKSUJKDBSA-N 2 1 350.463 0.955 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001218703722 855467496 /nfs/dbraw/zinc/46/74/96/855467496.db2.gz OIOMDKDAABDENM-JKSUJKDBSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218723654 855471602 /nfs/dbraw/zinc/47/16/02/855471602.db2.gz WQYJLGFYEDGYDA-BPQIPLTHSA-N 2 1 353.507 0.791 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789774 855479598 /nfs/dbraw/zinc/47/95/98/855479598.db2.gz TVGXXMIVJFTGKN-HYVNUMGLSA-N 2 1 350.463 0.918 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789774 855479603 /nfs/dbraw/zinc/47/96/03/855479603.db2.gz TVGXXMIVJFTGKN-HYVNUMGLSA-N 2 1 350.463 0.918 20 0 FCADMP COc1ccc(Br)c(NC(=O)C[NH2+]CCC[NH3+])c1C(N)=O ZINC001219078414 855539811 /nfs/dbraw/zinc/53/98/11/855539811.db2.gz JLGBRFKJLFRAJF-UHFFFAOYSA-N 2 1 359.224 0.434 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219746594 855797882 /nfs/dbraw/zinc/79/78/82/855797882.db2.gz WYIOWISLQVXZGY-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219746594 855797886 /nfs/dbraw/zinc/79/78/86/855797886.db2.gz WYIOWISLQVXZGY-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219746594 855797888 /nfs/dbraw/zinc/79/78/88/855797888.db2.gz WYIOWISLQVXZGY-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219746594 855797892 /nfs/dbraw/zinc/79/78/92/855797892.db2.gz WYIOWISLQVXZGY-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219793604 855814422 /nfs/dbraw/zinc/81/44/22/855814422.db2.gz IMTWTEMVRBPBQZ-KRWDZBQOSA-N 2 1 350.507 0.478 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803652 855822034 /nfs/dbraw/zinc/82/20/34/855822034.db2.gz CABXGJGZCIRUBR-PMPSAXMXSA-N 2 1 350.463 0.739 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803652 855822043 /nfs/dbraw/zinc/82/20/43/855822043.db2.gz CABXGJGZCIRUBR-PMPSAXMXSA-N 2 1 350.463 0.739 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829677 855835178 /nfs/dbraw/zinc/83/51/78/855835178.db2.gz BBJUGBICTGORPM-KFWWJZLASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829677 855835182 /nfs/dbraw/zinc/83/51/82/855835182.db2.gz BBJUGBICTGORPM-KFWWJZLASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829677 855835186 /nfs/dbraw/zinc/83/51/86/855835186.db2.gz BBJUGBICTGORPM-KFWWJZLASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829677 855835191 /nfs/dbraw/zinc/83/51/91/855835191.db2.gz BBJUGBICTGORPM-KFWWJZLASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1nn(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)c(C)c1Br ZINC001219996896 855911241 /nfs/dbraw/zinc/91/12/41/855911241.db2.gz FNNKVIXNBGWLRX-UHFFFAOYSA-N 2 1 358.284 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034607 855927998 /nfs/dbraw/zinc/92/79/98/855927998.db2.gz WTARIEISJXOMLI-OWQJAQGESA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001220034607 855928002 /nfs/dbraw/zinc/92/80/02/855928002.db2.gz WTARIEISJXOMLI-OWQJAQGESA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001220034607 855928006 /nfs/dbraw/zinc/92/80/06/855928006.db2.gz WTARIEISJXOMLI-OWQJAQGESA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001220057556 855936298 /nfs/dbraw/zinc/93/62/98/855936298.db2.gz BGXAUAXAKIGEHY-FGTMMUONSA-N 2 1 351.491 0.449 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001220057556 855936305 /nfs/dbraw/zinc/93/63/05/855936305.db2.gz BGXAUAXAKIGEHY-FGTMMUONSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220233806 856024807 /nfs/dbraw/zinc/02/48/07/856024807.db2.gz HURUSTGFECSWOI-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220233806 856024811 /nfs/dbraw/zinc/02/48/11/856024811.db2.gz HURUSTGFECSWOI-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220234102 856024923 /nfs/dbraw/zinc/02/49/23/856024923.db2.gz UMBNUCGGPZALHN-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220234102 856024933 /nfs/dbraw/zinc/02/49/33/856024933.db2.gz UMBNUCGGPZALHN-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369919 856088591 /nfs/dbraw/zinc/08/85/91/856088591.db2.gz XUWFAELLRPCBEP-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369919 856088599 /nfs/dbraw/zinc/08/85/99/856088599.db2.gz XUWFAELLRPCBEP-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369919 856088608 /nfs/dbraw/zinc/08/86/08/856088608.db2.gz XUWFAELLRPCBEP-IXDOHACOSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387575 856100859 /nfs/dbraw/zinc/10/08/59/856100859.db2.gz LWMNAHNELZXUEL-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387756 856100872 /nfs/dbraw/zinc/10/08/72/856100872.db2.gz POTAHNCMRQBPIT-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220553153 856180949 /nfs/dbraw/zinc/18/09/49/856180949.db2.gz ANDQVYBUSZAFIU-ZNMIVQPWSA-N 2 1 361.433 0.305 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220553153 856180956 /nfs/dbraw/zinc/18/09/56/856180956.db2.gz ANDQVYBUSZAFIU-ZNMIVQPWSA-N 2 1 361.433 0.305 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cs1 ZINC001220806886 856310654 /nfs/dbraw/zinc/31/06/54/856310654.db2.gz LIFKIUDFXIPTLA-CVEARBPZSA-N 2 1 354.520 0.887 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cs1 ZINC001220806886 856310656 /nfs/dbraw/zinc/31/06/56/856310656.db2.gz LIFKIUDFXIPTLA-CVEARBPZSA-N 2 1 354.520 0.887 20 0 FCADMP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871901 856351746 /nfs/dbraw/zinc/35/17/46/856351746.db2.gz BWAMQIKPFYCPCK-CYBMUJFWSA-N 2 1 358.364 0.123 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC001220911017 856370520 /nfs/dbraw/zinc/37/05/20/856370520.db2.gz CJOWLTQMRIJYKL-WBVHZDCISA-N 2 1 351.422 0.495 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976282 856404222 /nfs/dbraw/zinc/40/42/22/856404222.db2.gz SASCBNHRBNAHJI-UTUOFQBUSA-N 2 1 371.375 0.016 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976282 856404225 /nfs/dbraw/zinc/40/42/25/856404225.db2.gz SASCBNHRBNAHJI-UTUOFQBUSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976282 856404229 /nfs/dbraw/zinc/40/42/29/856404229.db2.gz SASCBNHRBNAHJI-UTUOFQBUSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976282 856404231 /nfs/dbraw/zinc/40/42/31/856404231.db2.gz SASCBNHRBNAHJI-UTUOFQBUSA-N 2 1 371.375 0.016 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073454 856450132 /nfs/dbraw/zinc/45/01/32/856450132.db2.gz XLEOXJMJDZZDBS-OAGGEKHMSA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073454 856450138 /nfs/dbraw/zinc/45/01/38/856450138.db2.gz XLEOXJMJDZZDBS-OAGGEKHMSA-N 2 1 354.495 0.068 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001221081865 856454063 /nfs/dbraw/zinc/45/40/63/856454063.db2.gz XFZOGVFVAOLYGE-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221081924 856454240 /nfs/dbraw/zinc/45/42/40/856454240.db2.gz YYZMYFCMIRVWBB-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221357983 856554758 /nfs/dbraw/zinc/55/47/58/856554758.db2.gz LQTOYMBRGSUUAD-LZWOXQAQSA-N 2 1 356.511 0.339 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001221637371 856633427 /nfs/dbraw/zinc/63/34/27/856633427.db2.gz FPDGUYHMHMRZRA-PMPSAXMXSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001221637371 856633431 /nfs/dbraw/zinc/63/34/31/856633431.db2.gz FPDGUYHMHMRZRA-PMPSAXMXSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001221637371 856633437 /nfs/dbraw/zinc/63/34/37/856633437.db2.gz FPDGUYHMHMRZRA-PMPSAXMXSA-N 2 1 351.495 0.275 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772298 856676760 /nfs/dbraw/zinc/67/67/60/856676760.db2.gz TVYOGMIXQOGNPA-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772298 856676764 /nfs/dbraw/zinc/67/67/64/856676764.db2.gz TVYOGMIXQOGNPA-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777185 856678253 /nfs/dbraw/zinc/67/82/53/856678253.db2.gz WBBOZOFKRGRGBX-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221776995 856678453 /nfs/dbraw/zinc/67/84/53/856678453.db2.gz NFAIMNOKJGYCFC-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221776995 856678462 /nfs/dbraw/zinc/67/84/62/856678462.db2.gz NFAIMNOKJGYCFC-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CCOC(=O)c1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c[nH]1 ZINC001279322369 862825614 /nfs/dbraw/zinc/82/56/14/862825614.db2.gz XIPXKTZXIPWBEY-IRXDYDNUSA-N 2 1 350.463 0.638 20 0 FCADMP CCOC(=O)c1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c[nH]1 ZINC001279322369 862825630 /nfs/dbraw/zinc/82/56/30/862825630.db2.gz XIPXKTZXIPWBEY-IRXDYDNUSA-N 2 1 350.463 0.638 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001221817112 856696491 /nfs/dbraw/zinc/69/64/91/856696491.db2.gz KXVZETZYBRIJEZ-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001221817112 856696495 /nfs/dbraw/zinc/69/64/95/856696495.db2.gz KXVZETZYBRIJEZ-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001221817112 856696500 /nfs/dbraw/zinc/69/65/00/856696500.db2.gz KXVZETZYBRIJEZ-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001221817112 856696507 /nfs/dbraw/zinc/69/65/07/856696507.db2.gz KXVZETZYBRIJEZ-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CCOCC3CC3)C[C@H]21 ZINC001221872339 856718152 /nfs/dbraw/zinc/71/81/52/856718152.db2.gz YERWHKNZYMVYME-QZTJIDSGSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001221872339 856718157 /nfs/dbraw/zinc/71/81/57/856718157.db2.gz YERWHKNZYMVYME-QZTJIDSGSA-N 2 1 351.491 0.668 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910581 856731280 /nfs/dbraw/zinc/73/12/80/856731280.db2.gz KMOZWQRFMZSZEP-KZNAEPCWSA-N 2 1 353.507 0.647 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221950384 856745407 /nfs/dbraw/zinc/74/54/07/856745407.db2.gz FSNXRZNEYCVLDJ-BRWVUGGUSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001221950409 856746191 /nfs/dbraw/zinc/74/61/91/856746191.db2.gz GFSPSRGKVHRJBA-RBSFLKMASA-N 2 1 361.433 0.522 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221968335 856752503 /nfs/dbraw/zinc/75/25/03/856752503.db2.gz KNZAMLJDBUUKDW-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221968335 856752508 /nfs/dbraw/zinc/75/25/08/856752508.db2.gz KNZAMLJDBUUKDW-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221968335 856752515 /nfs/dbraw/zinc/75/25/15/856752515.db2.gz KNZAMLJDBUUKDW-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221968335 856752522 /nfs/dbraw/zinc/75/25/22/856752522.db2.gz KNZAMLJDBUUKDW-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001222017952 856768114 /nfs/dbraw/zinc/76/81/14/856768114.db2.gz DYSLZLFELYRKTG-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222017969 856768520 /nfs/dbraw/zinc/76/85/20/856768520.db2.gz GAFLQUZLKJEGJG-HZPDHXFCSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222017969 856768526 /nfs/dbraw/zinc/76/85/26/856768526.db2.gz GAFLQUZLKJEGJG-HZPDHXFCSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976508 856886538 /nfs/dbraw/zinc/88/65/38/856886538.db2.gz RLOFGLWENHTONG-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976508 856886550 /nfs/dbraw/zinc/88/65/50/856886550.db2.gz RLOFGLWENHTONG-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222976508 856886559 /nfs/dbraw/zinc/88/65/59/856886559.db2.gz RLOFGLWENHTONG-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222976508 856886566 /nfs/dbraw/zinc/88/65/66/856886566.db2.gz RLOFGLWENHTONG-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223387574 856912460 /nfs/dbraw/zinc/91/24/60/856912460.db2.gz HCTVCMMFCQNCSG-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223721132 856939827 /nfs/dbraw/zinc/93/98/27/856939827.db2.gz FZXGTIYKOABCQN-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223721132 856939829 /nfs/dbraw/zinc/93/98/29/856939829.db2.gz FZXGTIYKOABCQN-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737611 856941225 /nfs/dbraw/zinc/94/12/25/856941225.db2.gz QWKIVHIIPABDJI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737611 856941232 /nfs/dbraw/zinc/94/12/32/856941232.db2.gz QWKIVHIIPABDJI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846687 856946669 /nfs/dbraw/zinc/94/66/69/856946669.db2.gz RFFXCWQKVGQTAO-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846687 856946672 /nfs/dbraw/zinc/94/66/72/856946672.db2.gz RFFXCWQKVGQTAO-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846687 856946675 /nfs/dbraw/zinc/94/66/75/856946675.db2.gz RFFXCWQKVGQTAO-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3CCCC3=O)[C@H]2C1 ZINC001223846702 856946746 /nfs/dbraw/zinc/94/67/46/856946746.db2.gz RNCGVIJYRMBUGR-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223846702 856946752 /nfs/dbraw/zinc/94/67/52/856946752.db2.gz RNCGVIJYRMBUGR-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223846702 856946755 /nfs/dbraw/zinc/94/67/55/856946755.db2.gz RNCGVIJYRMBUGR-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916303 856950309 /nfs/dbraw/zinc/95/03/09/856950309.db2.gz FEYDNOCSAITELJ-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912159 856951292 /nfs/dbraw/zinc/95/12/92/856951292.db2.gz OOVBFUJTJCCCQE-CVEARBPZSA-N 2 1 369.531 0.440 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912159 856951296 /nfs/dbraw/zinc/95/12/96/856951296.db2.gz OOVBFUJTJCCCQE-CVEARBPZSA-N 2 1 369.531 0.440 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223977977 856954072 /nfs/dbraw/zinc/95/40/72/856954072.db2.gz OYSFUKDJGWBTHT-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223977977 856954081 /nfs/dbraw/zinc/95/40/81/856954081.db2.gz OYSFUKDJGWBTHT-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223977977 856954094 /nfs/dbraw/zinc/95/40/94/856954094.db2.gz OYSFUKDJGWBTHT-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223977977 856954104 /nfs/dbraw/zinc/95/41/04/856954104.db2.gz OYSFUKDJGWBTHT-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227435 856970532 /nfs/dbraw/zinc/97/05/32/856970532.db2.gz KSCKZJILGTZNBZ-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225346508 857036130 /nfs/dbraw/zinc/03/61/30/857036130.db2.gz NIBXZATUVNATHO-RBSFLKMASA-N 2 1 360.524 0.037 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226615500 857115212 /nfs/dbraw/zinc/11/52/12/857115212.db2.gz WQRWXUBGJAPKDG-OAGGEKHMSA-N 2 1 359.536 0.922 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226615500 857115218 /nfs/dbraw/zinc/11/52/18/857115218.db2.gz WQRWXUBGJAPKDG-OAGGEKHMSA-N 2 1 359.536 0.922 20 0 FCADMP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703834 857170782 /nfs/dbraw/zinc/17/07/82/857170782.db2.gz NXFPKXLQGDXZTQ-BRWVUGGUSA-N 2 1 371.547 0.922 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228593975 857217761 /nfs/dbraw/zinc/21/77/61/857217761.db2.gz HWXFRMFNWXZCGL-RRFJBIMHSA-N 2 1 360.524 0.037 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001228603685 857218780 /nfs/dbraw/zinc/21/87/80/857218780.db2.gz RPIBDHRSEPWSRV-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228661837 857221160 /nfs/dbraw/zinc/22/11/60/857221160.db2.gz XZDNAZLVXMYJAK-KFWWJZLASA-N 2 1 351.499 0.940 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138137 857306741 /nfs/dbraw/zinc/30/67/41/857306741.db2.gz HGPFBBLDBYWQNU-BZUAXINKSA-N 2 1 353.511 0.663 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001230138158 857306748 /nfs/dbraw/zinc/30/67/48/857306748.db2.gz IFVMFRXHZPVGLP-YNEHKIRRSA-N 2 1 364.412 0.634 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001230147911 857308429 /nfs/dbraw/zinc/30/84/29/857308429.db2.gz WONMCKZYBHVQGR-FVQBIDKESA-N 2 1 370.519 0.889 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001231312255 857358364 /nfs/dbraw/zinc/35/83/64/857358364.db2.gz FXDOCRKJESBICA-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP OC1CCN(c2nc(Cl)c(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)s2)CC1 ZINC001234986502 857416660 /nfs/dbraw/zinc/41/66/60/857416660.db2.gz KKLTVOTZQBCVCI-INIZCTEOSA-N 2 1 371.938 0.895 20 0 FCADMP CN1CCN(c2cc(Br)ccc2CN(CC[NH3+])CC[NH3+])CC1 ZINC001235880955 857434555 /nfs/dbraw/zinc/43/45/55/857434555.db2.gz RUEMGXFIGXWOPI-UHFFFAOYSA-N 2 1 370.339 0.920 20 0 FCADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(S(=O)(=O)CC[NH3+])CC3)C2)cc1 ZINC001239082029 857509210 /nfs/dbraw/zinc/50/92/10/857509210.db2.gz PEQOHDCNOUOWIZ-UHFFFAOYSA-N 2 1 367.515 0.950 20 0 FCADMP Cc1ccc(C[N@H+]2CCOC3(CCN(S(=O)(=O)CC[NH3+])CC3)C2)cc1 ZINC001239082029 857509214 /nfs/dbraw/zinc/50/92/14/857509214.db2.gz PEQOHDCNOUOWIZ-UHFFFAOYSA-N 2 1 367.515 0.950 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001245978174 857561667 /nfs/dbraw/zinc/56/16/67/857561667.db2.gz JYILBSNHUCOSCC-IXJQEDDXSA-N 2 1 355.429 0.552 20 0 FCADMP O[C@@H](CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)COCC(F)(F)C(F)F ZINC001245983509 857562740 /nfs/dbraw/zinc/56/27/40/857562740.db2.gz GUXHDMBNNKBVAP-NEPJUHHUSA-N 2 1 357.392 0.728 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989535 857563412 /nfs/dbraw/zinc/56/34/12/857563412.db2.gz MAQXBYAINNWVFG-ZWKOTPCHSA-N 3 1 354.445 0.221 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030073 857565519 /nfs/dbraw/zinc/56/55/19/857565519.db2.gz CAWOKXJBPGJIGU-GJZGRUSLSA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030073 857565526 /nfs/dbraw/zinc/56/55/26/857565526.db2.gz CAWOKXJBPGJIGU-GJZGRUSLSA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@@]12CNC[C@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030073 857565531 /nfs/dbraw/zinc/56/55/31/857565531.db2.gz CAWOKXJBPGJIGU-GJZGRUSLSA-N 2 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@@]12CNC[C@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030073 857565540 /nfs/dbraw/zinc/56/55/40/857565540.db2.gz CAWOKXJBPGJIGU-GJZGRUSLSA-N 2 1 365.396 0.118 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1C(=O)OC ZINC001246138162 857568712 /nfs/dbraw/zinc/56/87/12/857568712.db2.gz ATXOHVHWXQHQRU-ZQDZILKHSA-N 2 1 353.463 0.191 20 0 FCADMP O=C([C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246133630 857569521 /nfs/dbraw/zinc/56/95/21/857569521.db2.gz KUNYZOWSJSHLRW-KKUMJFAQSA-N 2 1 354.520 0.141 20 0 FCADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001246280874 857572440 /nfs/dbraw/zinc/57/24/40/857572440.db2.gz SITZWMFIXUPYEV-GOEBONIOSA-N 2 1 353.488 0.938 20 0 FCADMP CC(C)([NH3+])CN([C@H]1CC[NH2+]C2(CNC2)C1)S(=O)(=O)c1ccccc1 ZINC001246291471 857572896 /nfs/dbraw/zinc/57/28/96/857572896.db2.gz TWKMMWGJFSATDC-AWEZNQCLSA-N 2 1 352.504 0.509 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246652388 857588464 /nfs/dbraw/zinc/58/84/64/857588464.db2.gz OMSVITTUWXQTKY-QWQRMKEZSA-N 2 1 352.479 0.003 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697128 857590870 /nfs/dbraw/zinc/59/08/70/857590870.db2.gz UBZKASKKBIFBKO-ZACQAIPSSA-N 2 1 351.491 0.714 20 0 FCADMP COCCN1CCOC[C@]2(CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699262 857591751 /nfs/dbraw/zinc/59/17/51/857591751.db2.gz ZLQOJQFDTQPBBU-QZTJIDSGSA-N 2 1 352.523 0.141 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246711237 857593497 /nfs/dbraw/zinc/59/34/97/857593497.db2.gz SMLZPDRQWLLRDE-RZRMAFQFSA-N 2 1 350.507 0.430 20 0 FCADMP O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[NH2+]C2)O1)N1CCCC1 ZINC001246729232 857593894 /nfs/dbraw/zinc/59/38/94/857593894.db2.gz JQIYKWLSKBKFJH-BRSBDYLESA-N 2 1 351.491 0.999 20 0 FCADMP O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[NH2+]C2)O1)N1CCCC1 ZINC001246729232 857593903 /nfs/dbraw/zinc/59/39/03/857593903.db2.gz JQIYKWLSKBKFJH-BRSBDYLESA-N 2 1 351.491 0.999 20 0 FCADMP C[C@H]1C[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726416 857594226 /nfs/dbraw/zinc/59/42/26/857594226.db2.gz CUXBVYFVMRKFPT-IRXDYDNUSA-N 2 1 351.539 0.297 20 0 FCADMP C[C@@H]1CC[C@@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754175 857598831 /nfs/dbraw/zinc/59/88/31/857598831.db2.gz SSAMNRAJZUURBX-IAGOWNOFSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757880 857598871 /nfs/dbraw/zinc/59/88/71/857598871.db2.gz WOYYPYJCJKWDPJ-RZFLPCETSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757880 857598878 /nfs/dbraw/zinc/59/88/78/857598878.db2.gz WOYYPYJCJKWDPJ-RZFLPCETSA-N 2 1 351.491 0.713 20 0 FCADMP CC1(C)COC2(CCC([NH+]3CCNCC[NH2+]CCNCC3)CC2)OC1 ZINC001246821987 857602092 /nfs/dbraw/zinc/60/20/92/857602092.db2.gz PXIQSXHEDHQACJ-UHFFFAOYSA-N 2 1 354.539 0.783 20 0 FCADMP O=C(CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)NCCc1cnc[nH]1 ZINC001251637568 857737815 /nfs/dbraw/zinc/73/78/15/857737815.db2.gz BUEOCYKLKMEJSX-LLVKDONJSA-N 2 1 370.347 0.326 20 0 FCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252023158 857775839 /nfs/dbraw/zinc/77/58/39/857775839.db2.gz FWELOXJVKKGEMC-IPMKNSEASA-N 2 1 355.523 0.645 20 0 FCADMP CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252023158 857775842 /nfs/dbraw/zinc/77/58/42/857775842.db2.gz FWELOXJVKKGEMC-IPMKNSEASA-N 2 1 355.523 0.645 20 0 FCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252023158 857775849 /nfs/dbraw/zinc/77/58/49/857775849.db2.gz FWELOXJVKKGEMC-IPMKNSEASA-N 2 1 355.523 0.645 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416380 857799475 /nfs/dbraw/zinc/79/94/75/857799475.db2.gz XDPXTVMCZMWHRN-HOCLYGCPSA-N 2 1 352.431 0.869 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001252416572 857800975 /nfs/dbraw/zinc/80/09/75/857800975.db2.gz ZTKDQDOLWUEXCC-HNNXBMFYSA-N 2 1 354.472 0.949 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001252416572 857800979 /nfs/dbraw/zinc/80/09/79/857800979.db2.gz ZTKDQDOLWUEXCC-HNNXBMFYSA-N 2 1 354.472 0.949 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001253182841 857869086 /nfs/dbraw/zinc/86/90/86/857869086.db2.gz ULFKNGVZAXJYNC-CVEARBPZSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209382 857872672 /nfs/dbraw/zinc/87/26/72/857872672.db2.gz BDUOTYRDZOPLTI-UONOGXRCSA-N 2 1 361.483 0.735 20 0 FCADMP COc1cccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC001253978834 857931772 /nfs/dbraw/zinc/93/17/72/857931772.db2.gz BPCNLMSJVVIKHU-HNNXBMFYSA-N 2 1 351.447 0.189 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254518704 857976396 /nfs/dbraw/zinc/97/63/96/857976396.db2.gz DCLPNMYNWGWMDM-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616515 862981892 /nfs/dbraw/zinc/98/18/92/862981892.db2.gz MKMKSUUYVLZSEU-CALCHBBNSA-N 2 1 358.552 0.368 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001279617248 862982205 /nfs/dbraw/zinc/98/22/05/862982205.db2.gz WCLHTZHJLPMPPW-SJORKVTESA-N 2 1 358.552 0.226 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC1 ZINC001256995740 858111725 /nfs/dbraw/zinc/11/17/25/858111725.db2.gz NZUROVIPWYYVBR-GFCCVEGCSA-N 2 1 358.435 0.379 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H]1C ZINC001261525294 858579652 /nfs/dbraw/zinc/57/96/52/858579652.db2.gz ZJHYQUMSIYYMRA-DRMAHVMPSA-N 2 1 350.507 0.905 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC001279771429 863052577 /nfs/dbraw/zinc/05/25/77/863052577.db2.gz IVOYXYZNIFWFRI-IEBWSBKVSA-N 2 1 352.523 0.441 20 0 FCADMP CC1([NH3+])CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001262099761 858779435 /nfs/dbraw/zinc/77/94/35/858779435.db2.gz XEYFDTFPGILMDI-MRXNPFEDSA-N 2 1 353.511 0.306 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccccc2F)CC1=O ZINC001262574517 859004392 /nfs/dbraw/zinc/00/43/92/859004392.db2.gz UNWWVGQLZLCHKI-YOEHRIQHSA-N 2 1 353.438 0.628 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264095907 859309277 /nfs/dbraw/zinc/30/92/77/859309277.db2.gz AAMNBSXHPSCTIY-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001264099463 859312965 /nfs/dbraw/zinc/31/29/65/859312965.db2.gz BZCVIIQNEMBLHP-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001264099463 859312972 /nfs/dbraw/zinc/31/29/72/859312972.db2.gz BZCVIIQNEMBLHP-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001264099463 859312974 /nfs/dbraw/zinc/31/29/74/859312974.db2.gz BZCVIIQNEMBLHP-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001264503549 859369424 /nfs/dbraw/zinc/36/94/24/859369424.db2.gz ISJNVTDWZLHYEI-BHYGNILZSA-N 2 1 351.495 0.417 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001264503550 859369802 /nfs/dbraw/zinc/36/98/02/859369802.db2.gz ISJNVTDWZLHYEI-HYVNUMGLSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1C ZINC001272414274 860151122 /nfs/dbraw/zinc/15/11/22/860151122.db2.gz MUHMHYBGEDFGEZ-JHJVBQTASA-N 2 1 352.483 0.009 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1C ZINC001272414274 860151131 /nfs/dbraw/zinc/15/11/31/860151131.db2.gz MUHMHYBGEDFGEZ-JHJVBQTASA-N 2 1 352.483 0.009 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001272744424 860244633 /nfs/dbraw/zinc/24/46/33/860244633.db2.gz FEJJYQBMYOIGSR-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001273405446 860480511 /nfs/dbraw/zinc/48/05/11/860480511.db2.gz QUUJRKSJKUNOCG-IBGZPJMESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001273504599 860511367 /nfs/dbraw/zinc/51/13/67/860511367.db2.gz YEUXGRSUSOBXCX-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122852 860935472 /nfs/dbraw/zinc/93/54/72/860935472.db2.gz KHKKYWHIWJEVAX-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122852 860935489 /nfs/dbraw/zinc/93/54/89/860935489.db2.gz KHKKYWHIWJEVAX-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122852 860935498 /nfs/dbraw/zinc/93/54/98/860935498.db2.gz KHKKYWHIWJEVAX-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP CN(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275176832 860979174 /nfs/dbraw/zinc/97/91/74/860979174.db2.gz LPYYOHSMBPWHHY-HKUYNNGSSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001275176832 860979184 /nfs/dbraw/zinc/97/91/84/860979184.db2.gz LPYYOHSMBPWHHY-HKUYNNGSSA-N 2 1 351.539 0.108 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286681 861011497 /nfs/dbraw/zinc/01/14/97/861011497.db2.gz BCVOFAZRTVWLJI-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2CC(C)(C)N2CCOCC2)C1=O ZINC001275515307 861118898 /nfs/dbraw/zinc/11/88/98/861118898.db2.gz KABSPMHKIYXUMS-IBGZPJMESA-N 2 1 352.523 0.726 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O)OC ZINC001275737633 861180345 /nfs/dbraw/zinc/18/03/45/861180345.db2.gz MQTBXYQGLBTOOT-SFHVURJKSA-N 2 1 353.463 0.446 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736714 861180506 /nfs/dbraw/zinc/18/05/06/861180506.db2.gz GKRFASQQIRJBMU-YJBOKZPZSA-N 2 1 353.463 0.241 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893958 863120151 /nfs/dbraw/zinc/12/01/51/863120151.db2.gz NNWYRMZLJYRYLK-LMSBXDPUSA-N 2 1 351.491 0.713 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975011 863160687 /nfs/dbraw/zinc/16/06/87/863160687.db2.gz ARUSKMPSVMSRTD-QGZVFWFLSA-N 2 1 355.552 0.299 20 0 FCADMP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](COCCOC)C[C@@H]12 ZINC001280152308 863298291 /nfs/dbraw/zinc/29/82/91/863298291.db2.gz RTFQQORSHFGTGR-HOTGVXAUSA-N 2 1 355.479 0.156 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](CC4(C)COC4)C[C@@H]3O2)CC1 ZINC001280180659 863312000 /nfs/dbraw/zinc/31/20/00/863312000.db2.gz PBAJLLOBATWFDO-PVAVHDDUSA-N 2 1 351.491 0.713 20 0 FCADMP COCCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@H]12 ZINC001280210982 863339621 /nfs/dbraw/zinc/33/96/21/863339621.db2.gz LCXDLDPTZUYGQS-LSDHHAIUSA-N 2 1 352.479 0.510 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC[C@H]3C[N@H+](CCC[NH+](C)C)C[C@H]3CC2)c1 ZINC001280226265 863349873 /nfs/dbraw/zinc/34/98/73/863349873.db2.gz YKKXTWGPVDLAQM-IYBDPMFKSA-N 2 1 369.535 0.704 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001280258245 863364061 /nfs/dbraw/zinc/36/40/61/863364061.db2.gz LKJPLMACDTXXCW-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259698 863366521 /nfs/dbraw/zinc/36/65/21/863366521.db2.gz YVEOBYABCSJRSZ-RHSMWYFYSA-N 2 1 350.482 0.515 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259698 863366526 /nfs/dbraw/zinc/36/65/26/863366526.db2.gz YVEOBYABCSJRSZ-RHSMWYFYSA-N 2 1 350.482 0.515 20 0 FCADMP CSCCC[N@@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280278649 863372921 /nfs/dbraw/zinc/37/29/21/863372921.db2.gz OYCNUUMXNDBIQM-LSDHHAIUSA-N 2 1 354.520 0.979 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@H]2C1 ZINC001280277969 863374137 /nfs/dbraw/zinc/37/41/37/863374137.db2.gz JAHSKXBMHUTQEW-GJZGRUSLSA-N 2 1 354.470 0.337 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC ZINC001281857356 863831012 /nfs/dbraw/zinc/83/10/12/863831012.db2.gz LFPMDAXDBLOMJC-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001282078771 864048369 /nfs/dbraw/zinc/04/83/69/864048369.db2.gz RHYDRGFKNHGKNW-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001282078771 864048387 /nfs/dbraw/zinc/04/83/87/864048387.db2.gz RHYDRGFKNHGKNW-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001282078771 864048402 /nfs/dbraw/zinc/04/84/02/864048402.db2.gz RHYDRGFKNHGKNW-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001350908087 866728656 /nfs/dbraw/zinc/72/86/56/866728656.db2.gz AMXDCNIWMGNSMC-UPJWGTAASA-N 2 1 350.385 0.520 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001351410322 866851974 /nfs/dbraw/zinc/85/19/74/866851974.db2.gz SXSCCDWDCDFXAW-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001351410322 866851992 /nfs/dbraw/zinc/85/19/92/866851992.db2.gz SXSCCDWDCDFXAW-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001353149410 867361465 /nfs/dbraw/zinc/36/14/65/867361465.db2.gz MDCADLIJXLJGND-LMMKCTJWSA-N 2 1 350.507 0.289 20 0 FCADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458410 867427362 /nfs/dbraw/zinc/42/73/62/867427362.db2.gz REOMPSFHCSWAFJ-JKSUJKDBSA-N 2 1 354.495 0.291 20 0 FCADMP [NH3+]C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCCCC1 ZINC001353612294 867455685 /nfs/dbraw/zinc/45/56/85/867455685.db2.gz AWUQGIVPWAUFQR-DLBZAZTESA-N 2 1 350.507 0.955 20 0 FCADMP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473330 868008726 /nfs/dbraw/zinc/00/87/26/868008726.db2.gz RCOIDSDKSVPLSR-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001357558894 868131841 /nfs/dbraw/zinc/13/18/41/868131841.db2.gz ARXHNPWIPVBEIK-JKSUJKDBSA-N 2 1 354.495 0.291 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)CCC(F)(F)F ZINC001321851635 868638666 /nfs/dbraw/zinc/63/86/66/868638666.db2.gz TZRJGQXTIGHZCQ-ZDUSSCGKSA-N 2 1 366.428 0.787 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)CCC(F)(F)F ZINC001321851635 868638673 /nfs/dbraw/zinc/63/86/73/868638673.db2.gz TZRJGQXTIGHZCQ-ZDUSSCGKSA-N 2 1 366.428 0.787 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001322272275 868780718 /nfs/dbraw/zinc/78/07/18/868780718.db2.gz MSVRQALEUWBWLK-INIZCTEOSA-N 2 1 354.495 0.143 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001322524015 868843773 /nfs/dbraw/zinc/84/37/73/868843773.db2.gz FCQIZNABRAPEGZ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001322524015 868843787 /nfs/dbraw/zinc/84/37/87/868843787.db2.gz FCQIZNABRAPEGZ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001322524015 868843800 /nfs/dbraw/zinc/84/38/00/868843800.db2.gz FCQIZNABRAPEGZ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC(O)(C[NH3+])CC3)CC2)cs1 ZINC001326688412 870449775 /nfs/dbraw/zinc/44/97/75/870449775.db2.gz QVCAVTILJCXEGB-UHFFFAOYSA-N 2 1 352.504 0.976 20 0 FCADMP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@@H]1CCC[NH2+]C1 ZINC001343715973 870568371 /nfs/dbraw/zinc/56/83/71/870568371.db2.gz GNYOGKIOSFPQEP-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091754 870665112 /nfs/dbraw/zinc/66/51/12/870665112.db2.gz GUNCNDVNOTXCPL-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091754 870665115 /nfs/dbraw/zinc/66/51/15/870665115.db2.gz GUNCNDVNOTXCPL-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)COC(C)=O)CC2)CC1 ZINC001327633948 870985714 /nfs/dbraw/zinc/98/57/14/870985714.db2.gz CEOFHEIWODQSQX-INIZCTEOSA-N 2 1 355.479 0.223 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001345102673 871189542 /nfs/dbraw/zinc/18/95/42/871189542.db2.gz YDUUMAQYAPMPDT-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001345102673 871189549 /nfs/dbraw/zinc/18/95/49/871189549.db2.gz YDUUMAQYAPMPDT-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001345102673 871189560 /nfs/dbraw/zinc/18/95/60/871189560.db2.gz YDUUMAQYAPMPDT-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001328799778 871632815 /nfs/dbraw/zinc/63/28/15/871632815.db2.gz OPKHHAFBAMKUPY-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001347182288 872204597 /nfs/dbraw/zinc/20/45/97/872204597.db2.gz DOJANKOVCGHWSY-AEFFLSMTSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001347182288 872204611 /nfs/dbraw/zinc/20/46/11/872204611.db2.gz DOJANKOVCGHWSY-AEFFLSMTSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001347182288 872204625 /nfs/dbraw/zinc/20/46/25/872204625.db2.gz DOJANKOVCGHWSY-AEFFLSMTSA-N 2 1 352.523 0.316 20 0 FCADMP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1C[N@@H+](C)CCN1C ZINC001347186438 872209307 /nfs/dbraw/zinc/20/93/07/872209307.db2.gz NEAKXFPMBNEYFG-ULQDDVLXSA-N 2 1 355.527 0.373 20 0 FCADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC001330502948 872672939 /nfs/dbraw/zinc/67/29/39/872672939.db2.gz KJDFOEFWLCFVAF-LBPRGKRZSA-N 2 1 350.444 0.572 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001348480052 872709343 /nfs/dbraw/zinc/70/93/43/872709343.db2.gz FJSOAQCQGOPGCA-GOSISDBHSA-N 2 1 352.523 0.485 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)CC[NH2+]CC2 ZINC001348950891 872834145 /nfs/dbraw/zinc/83/41/45/872834145.db2.gz GSOLRFYIOJGNMI-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC001332234357 873417886 /nfs/dbraw/zinc/41/78/86/873417886.db2.gz WPRCVIWCJJCCEH-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP COC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826148949 947478105 /nfs/dbraw/zinc/47/81/05/947478105.db2.gz VCMGMYWKLZXFHA-SFHVURJKSA-N 2 1 360.462 0.818 20 0 FCADMP OC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000826506420 948425057 /nfs/dbraw/zinc/42/50/57/948425057.db2.gz UKKNZZUUIYZYRP-UHFFFAOYSA-N 2 1 372.473 0.962 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576193612 950307652 /nfs/dbraw/zinc/30/76/52/950307652.db2.gz UTZZBORUVXXCGS-QWHCGFSZSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204984 950488892 /nfs/dbraw/zinc/48/88/92/950488892.db2.gz FCKJVCWMTCPNBB-VXGBXAGGSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208960 950623509 /nfs/dbraw/zinc/62/35/09/950623509.db2.gz WEDOHKUTMFQMIN-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575092551 951794445 /nfs/dbraw/zinc/79/44/45/951794445.db2.gz DUGXEDJVSSTCST-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062712 951957055 /nfs/dbraw/zinc/95/70/55/951957055.db2.gz ANAIIUXOPHLTIG-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143837 952158496 /nfs/dbraw/zinc/15/84/96/952158496.db2.gz CWJBEUOWQMSHTK-XJKSGUPXSA-N 2 1 372.477 0.815 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575146007 952189879 /nfs/dbraw/zinc/18/98/79/952189879.db2.gz FPIYUCRKQFCKPW-YNEHKIRRSA-N 2 1 358.450 0.283 20 0 FCADMP Cn1ncc(CN[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000293493533 214179102 /nfs/dbraw/zinc/17/91/02/214179102.db2.gz GRJAPOFHYPNBGM-CQSZACIVSA-N 2 1 358.450 0.200 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC[C@@H]21 ZINC000410780698 529799766 /nfs/dbraw/zinc/79/97/66/529799766.db2.gz UYORHUIBYWGXRB-ZJPYXAASSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000410780698 529799767 /nfs/dbraw/zinc/79/97/67/529799767.db2.gz UYORHUIBYWGXRB-ZJPYXAASSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000410780698 529799768 /nfs/dbraw/zinc/79/97/68/529799768.db2.gz UYORHUIBYWGXRB-ZJPYXAASSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000410848227 529861030 /nfs/dbraw/zinc/86/10/30/529861030.db2.gz YGHUJNXJWXUAIQ-ROUUACIJSA-N 2 1 360.502 0.649 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731118 529861445 /nfs/dbraw/zinc/86/14/45/529861445.db2.gz ODVWOMPWLKLFFG-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000410731118 529861446 /nfs/dbraw/zinc/86/14/46/529861446.db2.gz ODVWOMPWLKLFFG-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000410731118 529861448 /nfs/dbraw/zinc/86/14/48/529861448.db2.gz ODVWOMPWLKLFFG-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP CNC(=O)NC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000412057656 529882263 /nfs/dbraw/zinc/88/22/63/529882263.db2.gz YMMFYDWXMHGOGR-QGZVFWFLSA-N 2 1 361.490 0.799 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC[C@@H]21 ZINC000410951732 530064828 /nfs/dbraw/zinc/06/48/28/530064828.db2.gz GDHJMVCSPXIKRI-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951732 530064829 /nfs/dbraw/zinc/06/48/29/530064829.db2.gz GDHJMVCSPXIKRI-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951732 530064830 /nfs/dbraw/zinc/06/48/30/530064830.db2.gz GDHJMVCSPXIKRI-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CC[C@H]21 ZINC000410720135 530058209 /nfs/dbraw/zinc/05/82/09/530058209.db2.gz QITMTGRJBMZODC-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752920 674055570 /nfs/dbraw/zinc/05/55/70/674055570.db2.gz XPRFHLTWCRMHOG-MOPGFXCFSA-N 2 1 355.523 0.381 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000331458740 215000261 /nfs/dbraw/zinc/00/02/61/215000261.db2.gz PVBBCHSPRSCECH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000331536831 215012247 /nfs/dbraw/zinc/01/22/47/215012247.db2.gz DRBYDSYCHOJNHG-QAPCUYQASA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000331566864 215016179 /nfs/dbraw/zinc/01/61/79/215016179.db2.gz LAGHIUMBAFRHFW-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331566864 215016180 /nfs/dbraw/zinc/01/61/80/215016180.db2.gz LAGHIUMBAFRHFW-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000331566864 215016181 /nfs/dbraw/zinc/01/61/81/215016181.db2.gz LAGHIUMBAFRHFW-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000331587421 215019579 /nfs/dbraw/zinc/01/95/79/215019579.db2.gz MQRUXMLNFVTKMW-QZWWFDLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331587421 215019581 /nfs/dbraw/zinc/01/95/81/215019581.db2.gz MQRUXMLNFVTKMW-QZWWFDLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000331587421 215019584 /nfs/dbraw/zinc/01/95/84/215019584.db2.gz MQRUXMLNFVTKMW-QZWWFDLISA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000331600576 215021405 /nfs/dbraw/zinc/02/14/05/215021405.db2.gz OTJMSBORMHDGKF-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000331697265 215037046 /nfs/dbraw/zinc/03/70/46/215037046.db2.gz WXFZZZLGLCRJFS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000331697265 215037049 /nfs/dbraw/zinc/03/70/49/215037049.db2.gz WXFZZZLGLCRJFS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000331697265 215037051 /nfs/dbraw/zinc/03/70/51/215037051.db2.gz WXFZZZLGLCRJFS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000331728347 215040289 /nfs/dbraw/zinc/04/02/89/215040289.db2.gz ZHRPEBCTMJGRCO-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000331728347 215040292 /nfs/dbraw/zinc/04/02/92/215040292.db2.gz ZHRPEBCTMJGRCO-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000331728347 215040294 /nfs/dbraw/zinc/04/02/94/215040294.db2.gz ZHRPEBCTMJGRCO-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000331809188 215049662 /nfs/dbraw/zinc/04/96/62/215049662.db2.gz NQDOCMDKTYNLLK-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000331895309 215064039 /nfs/dbraw/zinc/06/40/39/215064039.db2.gz OYNQHRWMAYOQNC-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000331930339 215068623 /nfs/dbraw/zinc/06/86/23/215068623.db2.gz DTLOQDOANJHDFC-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000332050087 215084455 /nfs/dbraw/zinc/08/44/55/215084455.db2.gz LQPZMYCNVZPFHH-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332063303 215085964 /nfs/dbraw/zinc/08/59/64/215085964.db2.gz QMDJBWMXLZKKBA-CVEARBPZSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332063303 215085968 /nfs/dbraw/zinc/08/59/68/215085968.db2.gz QMDJBWMXLZKKBA-CVEARBPZSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000332062110 215086043 /nfs/dbraw/zinc/08/60/43/215086043.db2.gz PYVPATCDDMJPQV-SJORKVTESA-N 2 1 373.501 0.837 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000332062110 215086046 /nfs/dbraw/zinc/08/60/46/215086046.db2.gz PYVPATCDDMJPQV-SJORKVTESA-N 2 1 373.501 0.837 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000332098473 215093907 /nfs/dbraw/zinc/09/39/07/215093907.db2.gz XYEMBVVXKDKGQE-UXLLHSPISA-N 2 1 366.506 0.332 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332162030 215103186 /nfs/dbraw/zinc/10/31/86/215103186.db2.gz QCNJOAQSQQJHJT-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1C ZINC000332256067 215117060 /nfs/dbraw/zinc/11/70/60/215117060.db2.gz CSKDWMQYLUFIQJ-HMDCTGQHSA-N 2 1 350.507 0.903 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1[NH3+] ZINC000332296596 215125270 /nfs/dbraw/zinc/12/52/70/215125270.db2.gz OWEBVGZEHRPWDE-RDJZCZTQSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1[NH3+] ZINC000332296596 215125275 /nfs/dbraw/zinc/12/52/75/215125275.db2.gz OWEBVGZEHRPWDE-RDJZCZTQSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332462424 215156650 /nfs/dbraw/zinc/15/66/50/215156650.db2.gz JPDGJKKMVWGJBF-HRCADAONSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000332450654 215153351 /nfs/dbraw/zinc/15/33/51/215153351.db2.gz FIEKBNMDCKGGBU-JCYILVPMSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1[NH+](C)C ZINC000333065668 215230814 /nfs/dbraw/zinc/23/08/14/215230814.db2.gz ADZJUHIYBDSELX-HZPDHXFCSA-N 2 1 354.495 0.459 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000333139921 215240807 /nfs/dbraw/zinc/24/08/07/215240807.db2.gz CXEMCHHLJNBSHI-BBWFWOEESA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000333373724 215272655 /nfs/dbraw/zinc/27/26/55/215272655.db2.gz MVWYVOQDUUMUPG-IXDOHACOSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000333373724 215272658 /nfs/dbraw/zinc/27/26/58/215272658.db2.gz MVWYVOQDUUMUPG-IXDOHACOSA-N 2 1 367.538 0.563 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406130 215276795 /nfs/dbraw/zinc/27/67/95/215276795.db2.gz ZICGCLIMXDCUBJ-CVEARBPZSA-N 2 1 359.478 0.977 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000333439689 215281628 /nfs/dbraw/zinc/28/16/28/215281628.db2.gz VWWZJIWOPOIMHI-RHSMWYFYSA-N 2 1 369.535 0.030 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333442135 215282333 /nfs/dbraw/zinc/28/23/33/215282333.db2.gz WFMBGRFTZBLYID-IXDOHACOSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333442135 215282336 /nfs/dbraw/zinc/28/23/36/215282336.db2.gz WFMBGRFTZBLYID-IXDOHACOSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000333450633 215283869 /nfs/dbraw/zinc/28/38/69/215283869.db2.gz XMIIHGAOBPNGDO-IXDOHACOSA-N 2 1 360.506 0.984 20 0 FCADMP C[N@H+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000333500663 215289620 /nfs/dbraw/zinc/28/96/20/215289620.db2.gz DIEVITUKHSDOPR-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000333500663 215289624 /nfs/dbraw/zinc/28/96/24/215289624.db2.gz DIEVITUKHSDOPR-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441007308 535111819 /nfs/dbraw/zinc/11/18/19/535111819.db2.gz CGULUQCUWJNJDZ-KRWDZBQOSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441007308 535111824 /nfs/dbraw/zinc/11/18/24/535111824.db2.gz CGULUQCUWJNJDZ-KRWDZBQOSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441007308 535111825 /nfs/dbraw/zinc/11/18/25/535111825.db2.gz CGULUQCUWJNJDZ-KRWDZBQOSA-N 2 1 369.554 0.668 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333653361 215305246 /nfs/dbraw/zinc/30/52/46/215305246.db2.gz KEYFOSOIANRTHL-CYBMUJFWSA-N 2 1 351.417 0.560 20 0 FCADMP CCOC1CC(CNC(=O)N2CCC[N@@H+](CC)CC2)(N2CCOCC2)C1 ZINC000333776210 215318648 /nfs/dbraw/zinc/31/86/48/215318648.db2.gz ZHIVDOBCKDLWTM-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333838509 215324060 /nfs/dbraw/zinc/32/40/60/215324060.db2.gz NUFCXDDIXDMMBH-JZXOWHBKSA-N 2 1 363.506 0.513 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000333933073 215332584 /nfs/dbraw/zinc/33/25/84/215332584.db2.gz HLIFMPOSQYZSQW-JKSUJKDBSA-N 2 1 351.495 0.182 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCCC1 ZINC000333927528 215332350 /nfs/dbraw/zinc/33/23/50/215332350.db2.gz WMDMGOFOLWJILM-INIZCTEOSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCC(C)CC1 ZINC000285586704 213363336 /nfs/dbraw/zinc/36/33/36/213363336.db2.gz AKTZSBPKTYGZNC-CQSZACIVSA-N 2 1 364.494 0.339 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360846187 215373079 /nfs/dbraw/zinc/37/30/79/215373079.db2.gz DEKHEIHSLPEEOS-IRXDYDNUSA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360846187 215373080 /nfs/dbraw/zinc/37/30/80/215373080.db2.gz DEKHEIHSLPEEOS-IRXDYDNUSA-N 2 1 354.495 0.602 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000285204390 213302421 /nfs/dbraw/zinc/30/24/21/213302421.db2.gz WSEJXIMYKMHBBF-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000285204390 213302425 /nfs/dbraw/zinc/30/24/25/213302425.db2.gz WSEJXIMYKMHBBF-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000285204390 213302427 /nfs/dbraw/zinc/30/24/27/213302427.db2.gz WSEJXIMYKMHBBF-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000285140899 213290721 /nfs/dbraw/zinc/29/07/21/213290721.db2.gz SQHRNNCAIRDPIN-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000285140899 213290724 /nfs/dbraw/zinc/29/07/24/213290724.db2.gz SQHRNNCAIRDPIN-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000285140899 213290727 /nfs/dbraw/zinc/29/07/27/213290727.db2.gz SQHRNNCAIRDPIN-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363633653 215564849 /nfs/dbraw/zinc/56/48/49/215564849.db2.gz HFDHXHHMODTHIE-HNNXBMFYSA-N 2 1 370.494 0.281 20 0 FCADMP CN(CCCn1ccnc1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284570481 213170348 /nfs/dbraw/zinc/17/03/48/213170348.db2.gz NDDFJMQNRTWHAT-UHFFFAOYSA-N 2 1 369.469 0.906 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000284050277 213062872 /nfs/dbraw/zinc/06/28/72/213062872.db2.gz KFFSROSDLYCUJN-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000283918170 213034544 /nfs/dbraw/zinc/03/45/44/213034544.db2.gz DYWNTADLBIURGX-OAHLLOKOSA-N 2 1 373.501 0.761 20 0 FCADMP C[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732973 216024108 /nfs/dbraw/zinc/02/41/08/216024108.db2.gz YOVALNXZQMTAAB-INIZCTEOSA-N 2 1 361.490 0.998 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366838095 216040948 /nfs/dbraw/zinc/04/09/48/216040948.db2.gz UPXYJKIPHPIXBG-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000367046317 216069239 /nfs/dbraw/zinc/06/92/39/216069239.db2.gz VTCNMVQBCCEPMA-SFHVURJKSA-N 2 1 350.507 0.480 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367195814 216090055 /nfs/dbraw/zinc/09/00/55/216090055.db2.gz LAEZFIZRAMVMDY-QUCCMNQESA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367195814 216090058 /nfs/dbraw/zinc/09/00/58/216090058.db2.gz LAEZFIZRAMVMDY-QUCCMNQESA-N 2 1 371.529 0.703 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)N1CCOCC1 ZINC000245904828 209377003 /nfs/dbraw/zinc/37/70/03/209377003.db2.gz SWRBNDVHUHVADF-YESZJQIVSA-N 2 1 356.511 0.440 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000245865423 209376020 /nfs/dbraw/zinc/37/60/20/209376020.db2.gz LHKPKVROEIHPMR-IRXDYDNUSA-N 2 1 361.490 0.802 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000245865423 209376022 /nfs/dbraw/zinc/37/60/22/209376022.db2.gz LHKPKVROEIHPMR-IRXDYDNUSA-N 2 1 361.490 0.802 20 0 FCADMP N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000237845456 209358892 /nfs/dbraw/zinc/35/88/92/209358892.db2.gz JJEQMMSCQPYUFF-AEFFLSMTSA-N 2 1 367.453 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000237627767 209355603 /nfs/dbraw/zinc/35/56/03/209355603.db2.gz DSDMCNJQJQFOEY-CALCHBBNSA-N 2 1 360.502 0.931 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000237627767 209355605 /nfs/dbraw/zinc/35/56/05/209355605.db2.gz DSDMCNJQJQFOEY-CALCHBBNSA-N 2 1 360.502 0.931 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000237560558 209353901 /nfs/dbraw/zinc/35/39/01/209353901.db2.gz BAZUUWGBODHEIJ-HOCLYGCPSA-N 2 1 355.504 0.775 20 0 FCADMP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000194954912 209330351 /nfs/dbraw/zinc/33/03/51/209330351.db2.gz XMSFNOGENADONR-TWMKSMIVSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000194954912 209330353 /nfs/dbraw/zinc/33/03/53/209330353.db2.gz XMSFNOGENADONR-TWMKSMIVSA-N 2 1 356.511 0.846 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@H+]1C/C=C/C[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368976318 216326137 /nfs/dbraw/zinc/32/61/37/216326137.db2.gz VLPWRAUKYJJIRT-NZGFLGKVSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C/C[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368976318 216326141 /nfs/dbraw/zinc/32/61/41/216326141.db2.gz VLPWRAUKYJJIRT-NZGFLGKVSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C/C[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368976318 216326144 /nfs/dbraw/zinc/32/61/44/216326144.db2.gz VLPWRAUKYJJIRT-NZGFLGKVSA-N 2 1 360.502 0.714 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038729 216338101 /nfs/dbraw/zinc/33/81/01/216338101.db2.gz OMFSYZRCXHLMSK-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+](C)CCOC)CC1=O ZINC000369038729 216338105 /nfs/dbraw/zinc/33/81/05/216338105.db2.gz OMFSYZRCXHLMSK-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+](C)CCOC)CC1=O ZINC000369038729 216338107 /nfs/dbraw/zinc/33/81/07/216338107.db2.gz OMFSYZRCXHLMSK-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369372269 216390860 /nfs/dbraw/zinc/39/08/60/216390860.db2.gz HJMVANZAUQDKCY-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372269 216390864 /nfs/dbraw/zinc/39/08/64/216390864.db2.gz HJMVANZAUQDKCY-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395167 216393376 /nfs/dbraw/zinc/39/33/76/216393376.db2.gz LDASNEOEOPXSOX-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369395167 216393379 /nfs/dbraw/zinc/39/33/79/216393379.db2.gz LDASNEOEOPXSOX-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369395167 216393383 /nfs/dbraw/zinc/39/33/83/216393383.db2.gz LDASNEOEOPXSOX-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP COCCO[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000189738388 209260454 /nfs/dbraw/zinc/26/04/54/209260454.db2.gz OLUUEFSNTZCRRL-KRWDZBQOSA-N 2 1 362.474 0.858 20 0 FCADMP C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000188796842 209237440 /nfs/dbraw/zinc/23/74/40/209237440.db2.gz YDMQKVDIMBGKRO-OAHLLOKOSA-N 2 1 368.485 0.996 20 0 FCADMP CCCNC(=O)NC(=O)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188282934 209229251 /nfs/dbraw/zinc/22/92/51/209229251.db2.gz RGZYLDSEVFGANJ-IBGZPJMESA-N 2 1 362.474 0.791 20 0 FCADMP Nc1ccncc1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000188153456 209223637 /nfs/dbraw/zinc/22/36/37/209223637.db2.gz DMVBHQJWWPXPHR-UHFFFAOYSA-N 2 1 353.426 0.738 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000187173960 209206791 /nfs/dbraw/zinc/20/67/91/209206791.db2.gz WBROUGVIWBGUAH-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000372884642 216957652 /nfs/dbraw/zinc/95/76/52/216957652.db2.gz UGQCHDFBUNUCSM-KRWDZBQOSA-N 2 1 365.522 0.524 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000931485641 674117252 /nfs/dbraw/zinc/11/72/52/674117252.db2.gz OTUDBSOFYRTCOM-UHFFFAOYSA-N 2 1 353.438 0.709 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000414654656 245307011 /nfs/dbraw/zinc/30/70/11/245307011.db2.gz CJFBRHHEWSOVEB-MRXNPFEDSA-N 2 1 362.474 0.818 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000414669779 245311606 /nfs/dbraw/zinc/31/16/06/245311606.db2.gz BYUYZMSMWYPWHR-HNNXBMFYSA-N 2 1 362.449 0.781 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414675247 245311963 /nfs/dbraw/zinc/31/19/63/245311963.db2.gz FNAJPRSRXXGWJV-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000414730208 245313293 /nfs/dbraw/zinc/31/32/93/245313293.db2.gz AHJLVOBCJUKIQB-UHFFFAOYSA-N 2 1 358.442 0.661 20 0 FCADMP COc1ccc(C[N@@H+](CCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)c(OC)c1 ZINC000414701240 245313910 /nfs/dbraw/zinc/31/39/10/245313910.db2.gz UMAWODSEAHEQFS-OAHLLOKOSA-N 2 1 365.474 0.695 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414889114 245329832 /nfs/dbraw/zinc/32/98/32/245329832.db2.gz SUMXDTWESCAYQL-INIZCTEOSA-N 2 1 360.458 0.906 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000414959772 245339660 /nfs/dbraw/zinc/33/96/60/245339660.db2.gz XPBWSAQQKOTOTA-INIZCTEOSA-N 2 1 360.458 0.525 20 0 FCADMP C[NH2+]CCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000415137820 245349139 /nfs/dbraw/zinc/34/91/39/245349139.db2.gz JMTZKNJWQHJSFM-UHFFFAOYSA-N 2 1 369.491 0.354 20 0 FCADMP C[NH2+]CCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000415137820 245349145 /nfs/dbraw/zinc/34/91/45/245349145.db2.gz JMTZKNJWQHJSFM-UHFFFAOYSA-N 2 1 369.491 0.354 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172646 245356945 /nfs/dbraw/zinc/35/69/45/245356945.db2.gz SYBRPLLJTZCICW-YOEHRIQHSA-N 2 1 360.458 0.905 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1 ZINC000415233081 245364773 /nfs/dbraw/zinc/36/47/73/245364773.db2.gz UVLJFNOIGPRUAI-OAHLLOKOSA-N 2 1 363.506 0.987 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000415233081 245364778 /nfs/dbraw/zinc/36/47/78/245364778.db2.gz UVLJFNOIGPRUAI-OAHLLOKOSA-N 2 1 363.506 0.987 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000414950600 245336408 /nfs/dbraw/zinc/33/64/08/245336408.db2.gz OYQQESJYUGRMOI-HNNXBMFYSA-N 2 1 372.469 0.452 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414971155 245337918 /nfs/dbraw/zinc/33/79/18/245337918.db2.gz HOXHHFLHDVVYPT-UONOGXRCSA-N 2 1 350.463 0.914 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCCN3CC[NH2+]CC3)c2C1 ZINC000415272369 245373999 /nfs/dbraw/zinc/37/39/99/245373999.db2.gz SYFMGFPOTVCVFG-UHFFFAOYSA-N 2 1 373.501 0.762 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCCN3CC[NH2+]CC3)c2C1 ZINC000415272369 245374003 /nfs/dbraw/zinc/37/40/03/245374003.db2.gz SYFMGFPOTVCVFG-UHFFFAOYSA-N 2 1 373.501 0.762 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415276303 245377836 /nfs/dbraw/zinc/37/78/36/245377836.db2.gz WTPUKKLRVDYCRC-GOEBONIOSA-N 2 1 360.458 0.968 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145988 217101764 /nfs/dbraw/zinc/10/17/64/217101764.db2.gz DKOXRYCMKCVJQU-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145988 217101765 /nfs/dbraw/zinc/10/17/65/217101765.db2.gz DKOXRYCMKCVJQU-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1(C)C ZINC000374145988 217101767 /nfs/dbraw/zinc/10/17/67/217101767.db2.gz DKOXRYCMKCVJQU-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374415705 217127570 /nfs/dbraw/zinc/12/75/70/217127570.db2.gz OHKWOXXTIUBXAB-BZSNNMDCSA-N 2 1 366.506 0.603 20 0 FCADMP COCCO[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000374617584 217148771 /nfs/dbraw/zinc/14/87/71/217148771.db2.gz HVFWNLSUQYIGGE-FUHWJXTLSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182327817 209129906 /nfs/dbraw/zinc/12/99/06/209129906.db2.gz SEJHQHOFHJVOAB-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182327817 209129908 /nfs/dbraw/zinc/12/99/08/209129908.db2.gz SEJHQHOFHJVOAB-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000375741744 217306542 /nfs/dbraw/zinc/30/65/42/217306542.db2.gz GTCIACTYYAQVIR-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000375741744 217306545 /nfs/dbraw/zinc/30/65/45/217306545.db2.gz GTCIACTYYAQVIR-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375741744 217306549 /nfs/dbraw/zinc/30/65/49/217306549.db2.gz GTCIACTYYAQVIR-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000375741744 217306551 /nfs/dbraw/zinc/30/65/51/217306551.db2.gz GTCIACTYYAQVIR-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417431711 245694214 /nfs/dbraw/zinc/69/42/14/245694214.db2.gz RNFYNGYOZHGHDG-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000417435426 245694455 /nfs/dbraw/zinc/69/44/55/245694455.db2.gz YODFDOJKDHMHHU-PMPSAXMXSA-N 2 1 353.511 0.555 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000376081659 217354684 /nfs/dbraw/zinc/35/46/84/217354684.db2.gz MRWYEKFHOHJQES-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000376081659 217354685 /nfs/dbraw/zinc/35/46/85/217354685.db2.gz MRWYEKFHOHJQES-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000376081659 217354686 /nfs/dbraw/zinc/35/46/86/217354686.db2.gz MRWYEKFHOHJQES-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000376196668 217369242 /nfs/dbraw/zinc/36/92/42/217369242.db2.gz OUILKSDVFWYSCI-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000376231701 217373759 /nfs/dbraw/zinc/37/37/59/217373759.db2.gz JKFGBLNYSBXQPC-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000376231701 217373761 /nfs/dbraw/zinc/37/37/61/217373761.db2.gz JKFGBLNYSBXQPC-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419151133 246019782 /nfs/dbraw/zinc/01/97/82/246019782.db2.gz NDHGZJIOIHGATA-CJNGLKHVSA-N 2 1 364.515 0.930 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000419156214 246021767 /nfs/dbraw/zinc/02/17/67/246021767.db2.gz SNRAEESHHKJCMC-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136478 246010937 /nfs/dbraw/zinc/01/09/37/246010937.db2.gz PENJOZWZCMELJB-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136475 246011052 /nfs/dbraw/zinc/01/10/52/246011052.db2.gz PENJOZWZCMELJB-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)[nH+]1 ZINC000419137769 246011104 /nfs/dbraw/zinc/01/11/04/246011104.db2.gz RCCWIABHQFQLHF-GDBMZVCRSA-N 2 1 359.474 0.732 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419140811 246012717 /nfs/dbraw/zinc/01/27/17/246012717.db2.gz WECBLDIZJMHPLE-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)[nH+]1 ZINC000419141340 246012810 /nfs/dbraw/zinc/01/28/10/246012810.db2.gz WWNJTFJXINTBPA-MRXNPFEDSA-N 2 1 359.474 0.733 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419143065 246013948 /nfs/dbraw/zinc/01/39/48/246013948.db2.gz YRQXFQFSSNACNA-FUHWJXTLSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419140814 246014013 /nfs/dbraw/zinc/01/40/13/246014013.db2.gz WECBLDIZJMHPLE-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419149725 246017206 /nfs/dbraw/zinc/01/72/06/246017206.db2.gz LGPACHSFELIMOT-LBPRGKRZSA-N 2 1 374.457 0.787 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419149725 246017211 /nfs/dbraw/zinc/01/72/11/246017211.db2.gz LGPACHSFELIMOT-LBPRGKRZSA-N 2 1 374.457 0.787 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000419165201 246028446 /nfs/dbraw/zinc/02/84/46/246028446.db2.gz FYCFWDQDLKKBIX-BPQIPLTHSA-N 2 1 358.486 0.473 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000419164623 246029059 /nfs/dbraw/zinc/02/90/59/246029059.db2.gz AECWBEQZDVGNFU-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419170547 246033276 /nfs/dbraw/zinc/03/32/76/246033276.db2.gz NTNHZXKOYZCTCB-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419185119 246041775 /nfs/dbraw/zinc/04/17/75/246041775.db2.gz GVUUXORUYRXGDG-UHFFFAOYSA-N 2 1 368.428 0.520 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1[NH3+] ZINC000419162978 246026313 /nfs/dbraw/zinc/02/63/13/246026313.db2.gz IIWOXAHCGXIPKU-BPQIPLTHSA-N 2 1 374.485 0.199 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419211247 246056508 /nfs/dbraw/zinc/05/65/08/246056508.db2.gz SGOZOQCKWWMOCF-FGTMMUONSA-N 2 1 356.470 0.445 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419210940 246056588 /nfs/dbraw/zinc/05/65/88/246056588.db2.gz RUXIDKRRMRIWPG-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419216238 246058319 /nfs/dbraw/zinc/05/83/19/246058319.db2.gz ZZRRVPFCLZHXTF-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213903 246059010 /nfs/dbraw/zinc/05/90/10/246059010.db2.gz WZUVIMFWTYJVCC-MSOLQXFVSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000419216205 246059454 /nfs/dbraw/zinc/05/94/54/246059454.db2.gz ZUILCZXEGXMBCI-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419216239 246060177 /nfs/dbraw/zinc/06/01/77/246060177.db2.gz ZZRRVPFCLZHXTF-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419224072 246063477 /nfs/dbraw/zinc/06/34/77/246063477.db2.gz FCMSWKJFXIIDPA-HYVNUMGLSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419224468 246064753 /nfs/dbraw/zinc/06/47/53/246064753.db2.gz FMXANBRUTBCMER-RHSMWYFYSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225812 246065119 /nfs/dbraw/zinc/06/51/19/246065119.db2.gz CTMMOTXSPWMGFB-OCCSQVGLSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225812 246065121 /nfs/dbraw/zinc/06/51/21/246065121.db2.gz CTMMOTXSPWMGFB-OCCSQVGLSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224542 246065209 /nfs/dbraw/zinc/06/52/09/246065209.db2.gz FUUCNQFCYOZXJY-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419270276 246083879 /nfs/dbraw/zinc/08/38/79/246083879.db2.gz QQRXLTOTIYIBHB-QGZVFWFLSA-N 2 1 360.458 0.003 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419229045 246069320 /nfs/dbraw/zinc/06/93/20/246069320.db2.gz NKGITDKDSVNDPQ-XYJFISCASA-N 2 1 360.502 0.985 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419234396 246071853 /nfs/dbraw/zinc/07/18/53/246071853.db2.gz LXEMODYQDIQPDG-QWHCGFSZSA-N 2 1 350.488 0.418 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419234396 246071857 /nfs/dbraw/zinc/07/18/57/246071857.db2.gz LXEMODYQDIQPDG-QWHCGFSZSA-N 2 1 350.488 0.418 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419233344 246072290 /nfs/dbraw/zinc/07/22/90/246072290.db2.gz LJMPKEBQOKIIFO-UMVBOHGHSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419233344 246072294 /nfs/dbraw/zinc/07/22/94/246072294.db2.gz LJMPKEBQOKIIFO-UMVBOHGHSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000419233905 246072580 /nfs/dbraw/zinc/07/25/80/246072580.db2.gz LLMWNLVIKMLAFG-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000419233905 246072585 /nfs/dbraw/zinc/07/25/85/246072585.db2.gz LLMWNLVIKMLAFG-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419250608 246076264 /nfs/dbraw/zinc/07/62/64/246076264.db2.gz ZGIAYXSGLDACNZ-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419250608 246076271 /nfs/dbraw/zinc/07/62/71/246076271.db2.gz ZGIAYXSGLDACNZ-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419250615 246077238 /nfs/dbraw/zinc/07/72/38/246077238.db2.gz ZICCQEITVZBKIS-MGPUTAFESA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419250615 246077241 /nfs/dbraw/zinc/07/72/41/246077241.db2.gz ZICCQEITVZBKIS-MGPUTAFESA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329933 246101296 /nfs/dbraw/zinc/10/12/96/246101296.db2.gz HKHXSDZRZAOWRK-HZCDGDGTSA-N 2 1 374.460 0.678 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340331 246104771 /nfs/dbraw/zinc/10/47/71/246104771.db2.gz WMIZQHQLWDZTDH-IUHNQTRMSA-N 2 1 374.460 0.678 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419385520 246126650 /nfs/dbraw/zinc/12/66/50/246126650.db2.gz CMHPXUSPEGVTIW-MSOLQXFVSA-N 2 1 356.470 0.229 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419385520 246126656 /nfs/dbraw/zinc/12/66/56/246126656.db2.gz CMHPXUSPEGVTIW-MSOLQXFVSA-N 2 1 356.470 0.229 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419385524 246127574 /nfs/dbraw/zinc/12/75/74/246127574.db2.gz CMHPXUSPEGVTIW-ROUUACIJSA-N 2 1 356.470 0.229 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419385524 246127581 /nfs/dbraw/zinc/12/75/81/246127581.db2.gz CMHPXUSPEGVTIW-ROUUACIJSA-N 2 1 356.470 0.229 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419391310 246129235 /nfs/dbraw/zinc/12/92/35/246129235.db2.gz JSOYQVKBTIUVPY-ROUUACIJSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000419417303 246149115 /nfs/dbraw/zinc/14/91/15/246149115.db2.gz XGPQVZKUPIKZDU-FPMFFAJLSA-N 2 1 368.503 0.696 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419393639 246132828 /nfs/dbraw/zinc/13/28/28/246132828.db2.gz NLHDJKMKIUGIOV-QGZVFWFLSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401996 246137110 /nfs/dbraw/zinc/13/71/10/246137110.db2.gz PRBCWOYFWMIEMG-AITUJVMLSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401519 246137343 /nfs/dbraw/zinc/13/73/43/246137343.db2.gz OVWSTRHODAQBDI-JOCBIADPSA-N 2 1 358.486 0.819 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408665 246142097 /nfs/dbraw/zinc/14/20/97/246142097.db2.gz CTQGWNOCCVOWEK-KURKYZTESA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408665 246142100 /nfs/dbraw/zinc/14/21/00/246142100.db2.gz CTQGWNOCCVOWEK-KURKYZTESA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407752 246142854 /nfs/dbraw/zinc/14/28/54/246142854.db2.gz YZXUMPSJEDBKGU-JFIYKMOQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000419408073 246143002 /nfs/dbraw/zinc/14/30/02/246143002.db2.gz LKGJDTRJDJQOFH-BPLDGKMQSA-N 2 1 352.504 0.910 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419412013 246144813 /nfs/dbraw/zinc/14/48/13/246144813.db2.gz CGNGUAIHAVFGFW-DOTOQJQBSA-N 2 1 358.486 0.747 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421776 246154830 /nfs/dbraw/zinc/15/48/30/246154830.db2.gz WAGYWVTYOHERFO-IAGOWNOFSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421776 246154837 /nfs/dbraw/zinc/15/48/37/246154837.db2.gz WAGYWVTYOHERFO-IAGOWNOFSA-N 2 1 362.474 0.199 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419426287 246156626 /nfs/dbraw/zinc/15/66/26/246156626.db2.gz QRNIBOPKGDSRHB-UHFFFAOYSA-N 2 1 358.486 0.809 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419447545 246167205 /nfs/dbraw/zinc/16/72/05/246167205.db2.gz HNFXXJHBLRYSHU-QAPCUYQASA-N 2 1 373.501 0.167 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419450100 246168549 /nfs/dbraw/zinc/16/85/49/246168549.db2.gz LCFMYGIYGPOUEU-DLBZAZTESA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419448927 246169142 /nfs/dbraw/zinc/16/91/42/246169142.db2.gz JHYQAUHDDCUMNR-IRXDYDNUSA-N 2 1 373.501 0.121 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419450741 246169439 /nfs/dbraw/zinc/16/94/39/246169439.db2.gz MBOFDAVZYYYQIM-QGZVFWFLSA-N 2 1 373.501 0.135 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419450740 246169845 /nfs/dbraw/zinc/16/98/45/246169845.db2.gz MBOFDAVZYYYQIM-KRWDZBQOSA-N 2 1 373.501 0.135 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419418945 246151980 /nfs/dbraw/zinc/15/19/80/246151980.db2.gz YUQRPVLIPHVPPM-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419527790 246192150 /nfs/dbraw/zinc/19/21/50/246192150.db2.gz GMLVDFGQSFXVFX-UIBIWLFHSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470499 246174107 /nfs/dbraw/zinc/17/41/07/246174107.db2.gz FLRXDFROEZVNAS-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475418 246177203 /nfs/dbraw/zinc/17/72/03/246177203.db2.gz DQQCXVQDZWPOED-OWCLPIDISA-N 2 1 368.522 0.844 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419486741 246179006 /nfs/dbraw/zinc/17/90/06/246179006.db2.gz ABMTWONGGWCIKF-JKSUJKDBSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419565289 246203497 /nfs/dbraw/zinc/20/34/97/246203497.db2.gz YQEZWIORJUQHLD-SDNTUTLCSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419535429 246194336 /nfs/dbraw/zinc/19/43/36/246194336.db2.gz RYHLJDFGCPZNAJ-MDYRTPRTSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536874 246195989 /nfs/dbraw/zinc/19/59/89/246195989.db2.gz VAKBGFUFHBHHMP-BURFUSLBSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419558772 246202189 /nfs/dbraw/zinc/20/21/89/246202189.db2.gz OGUMXSKVGQRJNU-VJUNAUMWSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665153 246238141 /nfs/dbraw/zinc/23/81/41/246238141.db2.gz SXPWAVCIYHKDOC-JZXOWHBKSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419721789 246270405 /nfs/dbraw/zinc/27/04/05/246270405.db2.gz KZXFKRQGDLJJGM-GFCCVEGCSA-N 2 1 368.428 0.756 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000419709266 246263909 /nfs/dbraw/zinc/26/39/09/246263909.db2.gz OPVJFHFAAKYGGK-OCCSQVGLSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000419709266 246263916 /nfs/dbraw/zinc/26/39/16/246263916.db2.gz OPVJFHFAAKYGGK-OCCSQVGLSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000419757848 246285527 /nfs/dbraw/zinc/28/55/27/246285527.db2.gz JAZZRQBCOFQREY-KBPBESRZSA-N 2 1 350.438 0.583 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755721 246285549 /nfs/dbraw/zinc/28/55/49/246285549.db2.gz DVJOEAPUWXSLJP-GOEBONIOSA-N 2 1 350.438 0.617 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000419757849 246285886 /nfs/dbraw/zinc/28/58/86/246285886.db2.gz JAZZRQBCOFQREY-KGLIPLIRSA-N 2 1 350.438 0.583 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(F)(F)CN)C1CC1 ZINC000419759175 246286598 /nfs/dbraw/zinc/28/65/98/246286598.db2.gz GIJUYNCIVBPYHW-OAHLLOKOSA-N 2 1 368.428 0.723 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419759175 246286606 /nfs/dbraw/zinc/28/66/06/246286606.db2.gz GIJUYNCIVBPYHW-OAHLLOKOSA-N 2 1 368.428 0.723 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419755544 246287078 /nfs/dbraw/zinc/28/70/78/246287078.db2.gz DJQSWCZHNHHEAQ-HZPDHXFCSA-N 2 1 362.449 0.442 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CCC([NH3+])CC1)Cc1ccc(F)cc1 ZINC000419761557 246288802 /nfs/dbraw/zinc/28/88/02/246288802.db2.gz QAORRALUNSIHTE-UHFFFAOYSA-N 2 1 350.438 0.760 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000419797678 246299295 /nfs/dbraw/zinc/29/92/95/246299295.db2.gz UTHIKDHDWNRDPY-UHFFFAOYSA-N 2 1 374.485 0.710 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419826993 246308030 /nfs/dbraw/zinc/30/80/30/246308030.db2.gz RJCKRYZVOPNFOC-RRFJBIMHSA-N 2 1 362.474 0.375 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419837252 246312165 /nfs/dbraw/zinc/31/21/65/246312165.db2.gz CSBOQGNRSWRZTN-MRXNPFEDSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419845238 246319193 /nfs/dbraw/zinc/31/91/93/246319193.db2.gz PKEPLPSTBLUOFY-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419845238 246319199 /nfs/dbraw/zinc/31/91/99/246319199.db2.gz PKEPLPSTBLUOFY-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419865903 246336506 /nfs/dbraw/zinc/33/65/06/246336506.db2.gz BOJKFZRQICKRHR-ILXRZTDVSA-N 2 1 352.479 0.084 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419869924 246337144 /nfs/dbraw/zinc/33/71/44/246337144.db2.gz DCRVZPZQIDSZQJ-MRXNPFEDSA-N 2 1 360.458 0.208 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419869924 246337146 /nfs/dbraw/zinc/33/71/46/246337146.db2.gz DCRVZPZQIDSZQJ-MRXNPFEDSA-N 2 1 360.458 0.208 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419876880 246343070 /nfs/dbraw/zinc/34/30/70/246343070.db2.gz FKUQLTBXZVWVNM-PKOBYXMFSA-N 2 1 372.513 0.878 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419876819 246344189 /nfs/dbraw/zinc/34/41/89/246344189.db2.gz IHCLZYQLPDNQHG-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419876818 246344557 /nfs/dbraw/zinc/34/45/57/246344557.db2.gz IHCLZYQLPDNQHG-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419881812 246347786 /nfs/dbraw/zinc/34/77/86/246347786.db2.gz UOYVVSJEVODQHU-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419889149 246353087 /nfs/dbraw/zinc/35/30/87/246353087.db2.gz GOLLUBIVSMBLQJ-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000419889292 246353128 /nfs/dbraw/zinc/35/31/28/246353128.db2.gz GWNNCNFTKOHTKQ-KRWDZBQOSA-N 2 1 350.507 0.969 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419890336 246354824 /nfs/dbraw/zinc/35/48/24/246354824.db2.gz MDBUQEWQZWTKFS-GASCZTMLSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901585 246360330 /nfs/dbraw/zinc/36/03/30/246360330.db2.gz UICYYQUCFPQCCY-QZTJIDSGSA-N 2 1 373.501 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901589 246360514 /nfs/dbraw/zinc/36/05/14/246360514.db2.gz UICYYQUCFPQCCY-ZWKOTPCHSA-N 2 1 373.501 0.763 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419960422 246388764 /nfs/dbraw/zinc/38/87/64/246388764.db2.gz RRIURYLHKFKWSG-ZMSDIMECSA-N 2 1 350.507 0.951 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423356484 247012129 /nfs/dbraw/zinc/01/21/29/247012129.db2.gz JXMNPEGSCWZWTF-INIZCTEOSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423356484 247012132 /nfs/dbraw/zinc/01/21/32/247012132.db2.gz JXMNPEGSCWZWTF-INIZCTEOSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423369889 247013745 /nfs/dbraw/zinc/01/37/45/247013745.db2.gz CKAFBIDEHCOKDU-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423369889 247013748 /nfs/dbraw/zinc/01/37/48/247013748.db2.gz CKAFBIDEHCOKDU-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@@H+]1C ZINC000423379166 247014827 /nfs/dbraw/zinc/01/48/27/247014827.db2.gz LUHOZVRFQKKCDV-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@H+]1C ZINC000423379166 247014832 /nfs/dbraw/zinc/01/48/32/247014832.db2.gz LUHOZVRFQKKCDV-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP FC(F)(F)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380585 247014873 /nfs/dbraw/zinc/01/48/73/247014873.db2.gz HENLRVUVWVQMCY-TUVASFSCSA-N 2 1 350.429 0.569 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380585 247014878 /nfs/dbraw/zinc/01/48/78/247014878.db2.gz HENLRVUVWVQMCY-TUVASFSCSA-N 3 1 350.429 0.569 20 0 FCADMP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000423390937 247018212 /nfs/dbraw/zinc/01/82/12/247018212.db2.gz OVWWFEVBGMNRMN-RDJZCZTQSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423309170 247001614 /nfs/dbraw/zinc/00/16/14/247001614.db2.gz PLLKMIJYIAIECP-KBAYOESNSA-N 2 1 358.486 0.773 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532826 247044057 /nfs/dbraw/zinc/04/40/57/247044057.db2.gz VYCVXVRVXLYQHV-MAUKXSAKSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@H+]1CCOC ZINC000423532826 247044060 /nfs/dbraw/zinc/04/40/60/247044060.db2.gz VYCVXVRVXLYQHV-MAUKXSAKSA-N 2 1 354.495 0.143 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000423541489 247045696 /nfs/dbraw/zinc/04/56/96/247045696.db2.gz RZMCSNNEWPLLOR-HUUCEWRRSA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000423541489 247045698 /nfs/dbraw/zinc/04/56/98/247045698.db2.gz RZMCSNNEWPLLOR-HUUCEWRRSA-N 2 1 356.511 0.122 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@@H](C)[NH2+]1 ZINC000423567459 247054502 /nfs/dbraw/zinc/05/45/02/247054502.db2.gz CXSCYGICTNWXAX-LMSBXDPUSA-N 2 1 373.501 0.742 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423569683 247056811 /nfs/dbraw/zinc/05/68/11/247056811.db2.gz SGYPVDJIRDFICM-HOCLYGCPSA-N 2 1 350.507 0.905 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423486960 247035262 /nfs/dbraw/zinc/03/52/62/247035262.db2.gz WXFYWGPCSACCTH-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000423493531 247037195 /nfs/dbraw/zinc/03/71/95/247037195.db2.gz BSRLMNLZZIAEDK-AYOQOUSVSA-N 2 1 360.502 0.893 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000423676265 247107159 /nfs/dbraw/zinc/10/71/59/247107159.db2.gz FVNJKJQEZIJJRS-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423608724 247075366 /nfs/dbraw/zinc/07/53/66/247075366.db2.gz OKBMTLHJCCIPMB-NZSAHSFTSA-N 2 1 370.497 0.787 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000423621953 247079898 /nfs/dbraw/zinc/07/98/98/247079898.db2.gz LOBVUBDORZJXIQ-ZBFHGGJFSA-N 2 1 352.479 0.038 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423631973 247084970 /nfs/dbraw/zinc/08/49/70/247084970.db2.gz IHHKIOGHOGVOFV-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423651910 247094918 /nfs/dbraw/zinc/09/49/18/247094918.db2.gz WLTSFNCQKZMTEF-GBESFXJTSA-N 2 1 370.497 0.917 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423747785 247137877 /nfs/dbraw/zinc/13/78/77/247137877.db2.gz PZLYEEDWIHZODM-HOTGVXAUSA-N 2 1 355.479 0.631 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000423915019 247150183 /nfs/dbraw/zinc/15/01/83/247150183.db2.gz ARHLBOFUUWOLOG-XUXIUFHCSA-N 2 1 350.442 0.703 20 0 FCADMP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423975143 247156371 /nfs/dbraw/zinc/15/63/71/247156371.db2.gz CFYJLQJZVZYPHA-CABCVRRESA-N 2 1 354.495 0.189 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423700752 247116211 /nfs/dbraw/zinc/11/62/11/247116211.db2.gz UWZSPEZAMJLWEH-SFHVURJKSA-N 2 1 350.463 0.757 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423730588 247131440 /nfs/dbraw/zinc/13/14/40/247131440.db2.gz LIVCPDJZLDTXJQ-HOCLYGCPSA-N 2 1 350.463 0.756 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@@H]1C[NH3+] ZINC000423748606 247137012 /nfs/dbraw/zinc/13/70/12/247137012.db2.gz ZRMCWTCZUFXTAX-NVXWUHKLSA-N 2 1 367.538 0.057 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@@H]1C[NH3+] ZINC000423748606 247137016 /nfs/dbraw/zinc/13/70/16/247137016.db2.gz ZRMCWTCZUFXTAX-NVXWUHKLSA-N 2 1 367.538 0.057 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424144316 247172641 /nfs/dbraw/zinc/17/26/41/247172641.db2.gz LDNVMVUCZFZDCT-AWEZNQCLSA-N 2 1 362.478 0.113 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1C[C@H](C)O ZINC000424149836 247174525 /nfs/dbraw/zinc/17/45/25/247174525.db2.gz XMULJPGLCCLLKC-ZNMIVQPWSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@H+]1C[C@H](C)O ZINC000424149836 247174530 /nfs/dbraw/zinc/17/45/30/247174530.db2.gz XMULJPGLCCLLKC-ZNMIVQPWSA-N 2 1 350.467 0.120 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536864 247254765 /nfs/dbraw/zinc/25/47/65/247254765.db2.gz BRMXRDVJXFICFJ-FCGDIQPGSA-N 2 1 370.497 0.963 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000424495086 247239715 /nfs/dbraw/zinc/23/97/15/247239715.db2.gz PDDJZUSRLZDQIS-HUUCEWRRSA-N 2 1 354.495 0.284 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)CC[NH2+]CC2 ZINC000424501688 247243073 /nfs/dbraw/zinc/24/30/73/247243073.db2.gz FTPFWKAYBGBDDA-CABCVRRESA-N 2 1 362.474 0.989 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424522056 247250128 /nfs/dbraw/zinc/25/01/28/247250128.db2.gz MMWAZTHZVUYVNU-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000424441533 247215596 /nfs/dbraw/zinc/21/55/96/247215596.db2.gz TWORDOJOGGRYPT-QGZVFWFLSA-N 2 1 362.474 0.865 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000424457270 247224439 /nfs/dbraw/zinc/22/44/39/247224439.db2.gz ZBHLOZYVCWINGU-HZPDHXFCSA-N 2 1 361.494 0.558 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000424456012 247224849 /nfs/dbraw/zinc/22/48/49/247224849.db2.gz OVYUGHTUENYGSL-HNNXBMFYSA-N 2 1 360.458 0.573 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000424463555 247226040 /nfs/dbraw/zinc/22/60/40/247226040.db2.gz HOVJUKZQDDKTBN-CQSZACIVSA-N 2 1 362.474 0.696 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000424463555 247226045 /nfs/dbraw/zinc/22/60/45/247226045.db2.gz HOVJUKZQDDKTBN-CQSZACIVSA-N 2 1 362.474 0.696 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424470121 247229472 /nfs/dbraw/zinc/22/94/72/247229472.db2.gz AVAYPMVIPXGEQM-BHYGNILZSA-N 2 1 364.494 0.357 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000424545586 247256994 /nfs/dbraw/zinc/25/69/94/247256994.db2.gz LRYLOKIJUDYCHI-HNNXBMFYSA-N 2 1 368.522 0.450 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000424548916 247258691 /nfs/dbraw/zinc/25/86/91/247258691.db2.gz QMKIAMXDWLAHTG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425384233 247330175 /nfs/dbraw/zinc/33/01/75/247330175.db2.gz JPEACMSELHELIJ-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000425404331 247336376 /nfs/dbraw/zinc/33/63/76/247336376.db2.gz PQSYLNZEVMCIAC-UHFFFAOYSA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425408300 247337549 /nfs/dbraw/zinc/33/75/49/247337549.db2.gz WXLKSTNFGLDDHW-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425408300 247337553 /nfs/dbraw/zinc/33/75/53/247337553.db2.gz WXLKSTNFGLDDHW-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425675045 247361090 /nfs/dbraw/zinc/36/10/90/247361090.db2.gz DVGQHPWWAHZGKM-OKZBNKHCSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425675045 247361094 /nfs/dbraw/zinc/36/10/94/247361094.db2.gz DVGQHPWWAHZGKM-OKZBNKHCSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425675045 247361099 /nfs/dbraw/zinc/36/10/99/247361099.db2.gz DVGQHPWWAHZGKM-OKZBNKHCSA-N 2 1 351.539 0.996 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000430951345 247742823 /nfs/dbraw/zinc/74/28/23/247742823.db2.gz VDRDIAAYDMOIKF-UHFFFAOYSA-N 2 1 370.475 0.213 20 0 FCADMP Cn1ccnc1C[N@H+](CCC(=O)N1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681524 248009140 /nfs/dbraw/zinc/00/91/40/248009140.db2.gz KPCRAYYVHFLDKP-MRXNPFEDSA-N 2 1 361.490 0.613 20 0 FCADMP Cn1ccnc1C[N@@H+](CCC(=O)N1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681524 248009145 /nfs/dbraw/zinc/00/91/45/248009145.db2.gz KPCRAYYVHFLDKP-MRXNPFEDSA-N 2 1 361.490 0.613 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(F)cc1 ZINC000436051944 248029713 /nfs/dbraw/zinc/02/97/13/248029713.db2.gz LFQUBEWJIBRUHC-MRXNPFEDSA-N 2 1 350.438 0.761 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(F)cc1 ZINC000436051944 248029717 /nfs/dbraw/zinc/02/97/17/248029717.db2.gz LFQUBEWJIBRUHC-MRXNPFEDSA-N 2 1 350.438 0.761 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436058176 248031558 /nfs/dbraw/zinc/03/15/58/248031558.db2.gz IAVDEZDBITUVGN-KRWDZBQOSA-N 3 1 367.538 0.295 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436058176 248031561 /nfs/dbraw/zinc/03/15/61/248031561.db2.gz IAVDEZDBITUVGN-KRWDZBQOSA-N 3 1 367.538 0.295 20 0 FCADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000438878570 248099077 /nfs/dbraw/zinc/09/90/77/248099077.db2.gz CGHZPRQBGUCBMJ-MRXNPFEDSA-N 2 1 355.504 0.905 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000439131707 248111552 /nfs/dbraw/zinc/11/15/52/248111552.db2.gz IHHBOCBJEKVNSV-RDJZCZTQSA-N 2 1 361.552 0.995 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000442583124 248291706 /nfs/dbraw/zinc/29/17/06/248291706.db2.gz KLERGOKUVDRACQ-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC000442583124 248291708 /nfs/dbraw/zinc/29/17/08/248291708.db2.gz KLERGOKUVDRACQ-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC000442583124 248291709 /nfs/dbraw/zinc/29/17/09/248291709.db2.gz KLERGOKUVDRACQ-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442760911 248295646 /nfs/dbraw/zinc/29/56/46/248295646.db2.gz OHKIVHOFZXBTDL-UMVBOHGHSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771509 248297184 /nfs/dbraw/zinc/29/71/84/248297184.db2.gz TZAJNQGMZRHXAK-IRXDYDNUSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771509 248297187 /nfs/dbraw/zinc/29/71/87/248297187.db2.gz TZAJNQGMZRHXAK-IRXDYDNUSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775622 248297298 /nfs/dbraw/zinc/29/72/98/248297298.db2.gz ASQRCCIQOACMDP-DOTOQJQBSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775622 248297302 /nfs/dbraw/zinc/29/73/02/248297302.db2.gz ASQRCCIQOACMDP-DOTOQJQBSA-N 2 1 374.485 0.444 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443069678 248306195 /nfs/dbraw/zinc/30/61/95/248306195.db2.gz KGYBAJUMRPGTKK-CYBMUJFWSA-N 2 1 354.476 0.723 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000444169454 248349518 /nfs/dbraw/zinc/34/95/18/248349518.db2.gz KGRQONCRSXIUQK-CLCXKQKWSA-N 2 1 368.522 0.578 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000444169455 248349943 /nfs/dbraw/zinc/34/99/43/248349943.db2.gz KGRQONCRSXIUQK-KHYOSLBOSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000444357148 248356279 /nfs/dbraw/zinc/35/62/79/248356279.db2.gz MYVSJHFZSMONQW-HNNXBMFYSA-N 2 1 364.490 0.939 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349790 249310157 /nfs/dbraw/zinc/31/01/57/249310157.db2.gz CAOOFBKKKTUDIZ-OALUTQOASA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349790 249310165 /nfs/dbraw/zinc/31/01/65/249310165.db2.gz CAOOFBKKKTUDIZ-OALUTQOASA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452349790 249310168 /nfs/dbraw/zinc/31/01/68/249310168.db2.gz CAOOFBKKKTUDIZ-OALUTQOASA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452349790 249310170 /nfs/dbraw/zinc/31/01/70/249310170.db2.gz CAOOFBKKKTUDIZ-OALUTQOASA-N 2 1 361.486 0.850 20 0 FCADMP C[N@@H+](C[C@@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038557 249343158 /nfs/dbraw/zinc/34/31/58/249343158.db2.gz NUVHVMDSVRFUHD-KURKYZTESA-N 2 1 357.454 0.559 20 0 FCADMP C[NH+](C[C@@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038557 249343161 /nfs/dbraw/zinc/34/31/61/249343161.db2.gz NUVHVMDSVRFUHD-KURKYZTESA-N 2 1 357.454 0.559 20 0 FCADMP C[NH+](C[C@@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038557 249343165 /nfs/dbraw/zinc/34/31/65/249343165.db2.gz NUVHVMDSVRFUHD-KURKYZTESA-N 2 1 357.454 0.559 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[C@H](NC(N)=O)C2)CC1 ZINC000270664003 211243457 /nfs/dbraw/zinc/24/34/57/211243457.db2.gz KPIVVPCVPHKHSN-SFHVURJKSA-N 2 1 373.501 0.772 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857681 250008591 /nfs/dbraw/zinc/00/85/91/250008591.db2.gz WJNAEDZCINVZAH-GOEBONIOSA-N 2 1 361.490 0.797 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857681 250008593 /nfs/dbraw/zinc/00/85/93/250008593.db2.gz WJNAEDZCINVZAH-GOEBONIOSA-N 2 1 361.490 0.797 20 0 FCADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470019450 250021060 /nfs/dbraw/zinc/02/10/60/250021060.db2.gz UAYBBMNUZVAXSA-MRXNPFEDSA-N 2 1 362.474 0.441 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000470210029 250031930 /nfs/dbraw/zinc/03/19/30/250031930.db2.gz QOZCZKGLYLGBCX-UHFFFAOYSA-N 2 1 368.503 0.855 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000471662258 250114114 /nfs/dbraw/zinc/11/41/14/250114114.db2.gz BLKWEJFMPOMMKV-IBGZPJMESA-N 2 1 364.490 0.501 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC2CCN(C(C)=O)CC2)C1 ZINC000472269362 250142984 /nfs/dbraw/zinc/14/29/84/250142984.db2.gz VFPLZQGUBQYJRO-GOSISDBHSA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(C)=O)CC2)C1 ZINC000472269362 250142991 /nfs/dbraw/zinc/14/29/91/250142991.db2.gz VFPLZQGUBQYJRO-GOSISDBHSA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000473002029 250193449 /nfs/dbraw/zinc/19/34/49/250193449.db2.gz POSVYJVSLUCKKR-DLBZAZTESA-N 2 1 356.511 0.849 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000473872326 250254252 /nfs/dbraw/zinc/25/42/52/250254252.db2.gz HKJCXDOXGLLTMI-KRWDZBQOSA-N 2 1 370.538 0.878 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000480870920 250290836 /nfs/dbraw/zinc/29/08/36/250290836.db2.gz CCNOQLPIXWKATL-IYBDPMFKSA-N 2 1 370.538 0.554 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000481162264 250320282 /nfs/dbraw/zinc/32/02/82/250320282.db2.gz CCSWSPWIOMLSNF-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCSC1 ZINC000481653282 250348207 /nfs/dbraw/zinc/34/82/07/250348207.db2.gz AQJKFQUKHPRMLH-PBHICJAKSA-N 2 1 371.551 0.310 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879240 250370048 /nfs/dbraw/zinc/37/00/48/250370048.db2.gz NDRSWWXIWMNJEH-HOTGVXAUSA-N 2 1 368.522 0.044 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000269700551 211048361 /nfs/dbraw/zinc/04/83/61/211048361.db2.gz LXZACVMJOWEBIU-OAHLLOKOSA-N 2 1 368.865 0.502 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000269519606 211001245 /nfs/dbraw/zinc/00/12/45/211001245.db2.gz VKVWCMVMAJQYNE-OAHLLOKOSA-N 2 1 350.467 0.563 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000269519606 211001250 /nfs/dbraw/zinc/00/12/50/211001250.db2.gz VKVWCMVMAJQYNE-OAHLLOKOSA-N 2 1 350.467 0.563 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+](C)C1 ZINC000413616180 532989852 /nfs/dbraw/zinc/98/98/52/532989852.db2.gz RZUIQIXLQNVVGA-CQSZACIVSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413150822 532995688 /nfs/dbraw/zinc/99/56/88/532995688.db2.gz VWBOPAUUJSQZPG-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077569909 208073998 /nfs/dbraw/zinc/07/39/98/208073998.db2.gz NTBARGAOCPWCNF-INIZCTEOSA-N 2 1 356.511 0.755 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)CN3CCOCC3)CC2)CC1 ZINC000091559926 208138658 /nfs/dbraw/zinc/13/86/58/208138658.db2.gz NZGNLEMLZZIUSK-GOSISDBHSA-N 2 1 366.550 0.973 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000105315094 208199061 /nfs/dbraw/zinc/19/90/61/208199061.db2.gz LYSSRJGZJFQLJL-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000105315094 208199069 /nfs/dbraw/zinc/19/90/69/208199069.db2.gz LYSSRJGZJFQLJL-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867653 208287026 /nfs/dbraw/zinc/28/70/26/208287026.db2.gz JEUHVLZQWGWKNV-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000931873711 674149169 /nfs/dbraw/zinc/14/91/69/674149169.db2.gz VRXPHFLZWUVIGU-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000931873711 674149171 /nfs/dbraw/zinc/14/91/71/674149171.db2.gz VRXPHFLZWUVIGU-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000931873711 674149172 /nfs/dbraw/zinc/14/91/72/674149172.db2.gz VRXPHFLZWUVIGU-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000931873711 674149174 /nfs/dbraw/zinc/14/91/74/674149174.db2.gz VRXPHFLZWUVIGU-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000116977940 208340318 /nfs/dbraw/zinc/34/03/18/208340318.db2.gz DHUOJFZYRLTNDJ-OALUTQOASA-N 2 1 361.486 0.973 20 0 FCADMP CN1CCN(C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)CC1 ZINC000120842060 208390357 /nfs/dbraw/zinc/39/03/57/208390357.db2.gz OWLDTHHTVFCJKA-UHFFFAOYSA-N 2 1 360.458 0.817 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2CCN(C)CC2)cc1)[NH+]1CCOCC1 ZINC000120780648 208391540 /nfs/dbraw/zinc/39/15/40/208391540.db2.gz FOJVDCCEYOBCKR-HNNXBMFYSA-N 2 1 360.458 0.792 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000266743763 210393552 /nfs/dbraw/zinc/39/35/52/210393552.db2.gz LIEMHEHVIJGXBH-CYBMUJFWSA-N 2 1 363.462 0.582 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884425 209063002 /nfs/dbraw/zinc/06/30/02/209063002.db2.gz MTLRMFQQYLWEDL-WOJBJXKFSA-N 2 1 374.529 0.810 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000178884501 209063867 /nfs/dbraw/zinc/06/38/67/209063867.db2.gz LCJUVKZBWAGKFH-PMACEKPBSA-N 2 1 374.529 0.982 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC[N@@H+](C)C1 ZINC000413375534 533479664 /nfs/dbraw/zinc/47/96/64/533479664.db2.gz MXULALXZPHHQEN-CVEARBPZSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375534 533479665 /nfs/dbraw/zinc/47/96/65/533479665.db2.gz MXULALXZPHHQEN-CVEARBPZSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375534 533479668 /nfs/dbraw/zinc/47/96/68/533479668.db2.gz MXULALXZPHHQEN-CVEARBPZSA-N 2 1 354.495 0.711 20 0 FCADMP C[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[N@H+]1CC(C)(C)O ZINC000188890992 229249962 /nfs/dbraw/zinc/24/99/62/229249962.db2.gz LLTBXSOCEONTEP-MRXNPFEDSA-N 2 1 362.522 0.505 20 0 FCADMP C[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000188890992 229249966 /nfs/dbraw/zinc/24/99/66/229249966.db2.gz LLTBXSOCEONTEP-MRXNPFEDSA-N 2 1 362.522 0.505 20 0 FCADMP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000190214324 229259337 /nfs/dbraw/zinc/25/93/37/229259337.db2.gz IBSGBDQUZILSIM-AWEZNQCLSA-N 2 1 352.483 0.754 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000410954966 230323782 /nfs/dbraw/zinc/32/37/82/230323782.db2.gz QHNWFZFLOFLBTI-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933845323 674276568 /nfs/dbraw/zinc/27/65/68/674276568.db2.gz BRCZBDFJHRMOJI-MRXNPFEDSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000933845323 674276571 /nfs/dbraw/zinc/27/65/71/674276571.db2.gz BRCZBDFJHRMOJI-MRXNPFEDSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000933845323 674276573 /nfs/dbraw/zinc/27/65/73/674276573.db2.gz BRCZBDFJHRMOJI-MRXNPFEDSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC000488683950 484228311 /nfs/dbraw/zinc/22/83/11/484228311.db2.gz JZSSDUKLNDLHEI-CQSZACIVSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1C ZINC000488683950 484228318 /nfs/dbraw/zinc/22/83/18/484228318.db2.gz JZSSDUKLNDLHEI-CQSZACIVSA-N 2 1 350.467 0.182 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940342 488895775 /nfs/dbraw/zinc/89/57/75/488895775.db2.gz PNNORQYBMFQVTG-RBUKOAKNSA-N 2 1 370.497 0.789 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000327627815 488920308 /nfs/dbraw/zinc/92/03/08/488920308.db2.gz OHQSWDHTOQQOHR-AWEZNQCLSA-N 2 1 358.442 0.460 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288169406 488952539 /nfs/dbraw/zinc/95/25/39/488952539.db2.gz OYYBPMWTZFLYQV-UHFFFAOYSA-N 2 1 353.467 0.125 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000048395408 488070754 /nfs/dbraw/zinc/07/07/54/488070754.db2.gz MGZZIVLJUASMKV-UHFFFAOYSA-N 2 1 365.522 0.903 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000059263002 488287704 /nfs/dbraw/zinc/28/77/04/488287704.db2.gz DUDKIJFYSNIGHC-UHFFFAOYSA-N 2 1 353.511 0.808 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000562815629 491192025 /nfs/dbraw/zinc/19/20/25/491192025.db2.gz DNRAHZXJOIZLOO-UONOGXRCSA-N 2 1 365.444 0.804 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000562816087 491192113 /nfs/dbraw/zinc/19/21/13/491192113.db2.gz TXLHAYOBNPQLKE-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000069504784 488372954 /nfs/dbraw/zinc/37/29/54/488372954.db2.gz YAUMUNVGSGUQDA-UHFFFAOYSA-N 2 1 351.495 0.276 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000069858390 488374182 /nfs/dbraw/zinc/37/41/82/488374182.db2.gz OGFVCTAYQHEFRO-KRWDZBQOSA-N 2 1 352.523 0.631 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000069858390 488374183 /nfs/dbraw/zinc/37/41/83/488374183.db2.gz OGFVCTAYQHEFRO-KRWDZBQOSA-N 2 1 352.523 0.631 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069936756 488374762 /nfs/dbraw/zinc/37/47/62/488374762.db2.gz OHKWOXXTIUBXAB-RCCFBDPRSA-N 2 1 366.506 0.603 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562828004 491194200 /nfs/dbraw/zinc/19/42/00/491194200.db2.gz BLTBQZYURIRNRR-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562828004 491194201 /nfs/dbraw/zinc/19/42/01/491194201.db2.gz BLTBQZYURIRNRR-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](C)C3)CC2)C[C@H]1C ZINC000072872152 488383230 /nfs/dbraw/zinc/38/32/30/488383230.db2.gz DRRWVBXBLFEDMT-USTZCAOPSA-N 2 1 364.534 0.833 20 0 FCADMP C[C@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](C)C3)CC2)C[C@@H]1C ZINC000072872155 488383296 /nfs/dbraw/zinc/38/32/96/488383296.db2.gz DRRWVBXBLFEDMT-XLAORIBOSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073588473 488385069 /nfs/dbraw/zinc/38/50/69/488385069.db2.gz JAZOGCYBGVLJQU-GOSISDBHSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H](CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182708966 488389256 /nfs/dbraw/zinc/38/92/56/488389256.db2.gz JIFRUVOTVDTGHR-FUHWJXTLSA-N 2 1 356.511 0.633 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(C)(C)C ZINC000074301455 488390122 /nfs/dbraw/zinc/39/01/22/488390122.db2.gz WPZSTFVCNLKWEF-CRAIPNDOSA-N 2 1 358.527 0.735 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315933 488390400 /nfs/dbraw/zinc/39/04/00/488390400.db2.gz BROQIMZNGVPOQN-IAGOWNOFSA-N 2 1 350.507 0.587 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345535 488390725 /nfs/dbraw/zinc/39/07/25/488390725.db2.gz GOAXCXGRZZLJBO-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345535 488390727 /nfs/dbraw/zinc/39/07/27/488390727.db2.gz GOAXCXGRZZLJBO-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345535 488390731 /nfs/dbraw/zinc/39/07/31/488390731.db2.gz GOAXCXGRZZLJBO-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000074345364 488390790 /nfs/dbraw/zinc/39/07/90/488390790.db2.gz DQYIQAXKTJEUCK-IRXDYDNUSA-N 2 1 365.522 0.844 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000074345243 488390934 /nfs/dbraw/zinc/39/09/34/488390934.db2.gz VGBLAMSQXZDBNL-DLBZAZTESA-N 2 1 365.522 0.844 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824722 491195902 /nfs/dbraw/zinc/19/59/02/491195902.db2.gz DSVWRCKKIJYPSY-IRXDYDNUSA-N 2 1 369.473 0.754 20 0 FCADMP C[NH+]1CCN(CC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000076410908 488404572 /nfs/dbraw/zinc/40/45/72/488404572.db2.gz VFEAWRAJXNYRNX-UHFFFAOYSA-N 2 1 373.545 0.952 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000554336681 491196271 /nfs/dbraw/zinc/19/62/71/491196271.db2.gz IJWPVQUBDCQYTB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000077208645 488409410 /nfs/dbraw/zinc/40/94/10/488409410.db2.gz GETGWUIGXZPVPO-JKSUJKDBSA-N 2 1 351.495 0.454 20 0 FCADMP CC[NH+](CC)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000079027641 488426464 /nfs/dbraw/zinc/42/64/64/488426464.db2.gz DXDKDEOGSLTCPE-UHFFFAOYSA-N 2 1 353.511 0.524 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058893 488426754 /nfs/dbraw/zinc/42/67/54/488426754.db2.gz XNAOTWQRVRLRCP-NVXWUHKLSA-N 2 1 365.522 0.807 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000569843005 491197719 /nfs/dbraw/zinc/19/77/19/491197719.db2.gz RRCHTMOOOYLMLD-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000569843005 491197721 /nfs/dbraw/zinc/19/77/21/491197721.db2.gz RRCHTMOOOYLMLD-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000569843005 491197724 /nfs/dbraw/zinc/19/77/24/491197724.db2.gz RRCHTMOOOYLMLD-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1CCC[C@@](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000194144935 488431363 /nfs/dbraw/zinc/43/13/63/488431363.db2.gz RQKWUBGOVWOVRD-QFBILLFUSA-N 2 1 367.538 0.960 20 0 FCADMP [NH3+]CC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000238048782 488458046 /nfs/dbraw/zinc/45/80/46/488458046.db2.gz SEOBICGKASMBGV-UHFFFAOYSA-N 2 1 358.486 0.966 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000246023328 488468841 /nfs/dbraw/zinc/46/88/41/488468841.db2.gz LRGURPWLHDSERT-RRFJBIMHSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000246023328 488468842 /nfs/dbraw/zinc/46/88/42/488468842.db2.gz LRGURPWLHDSERT-RRFJBIMHSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000246023328 488468844 /nfs/dbraw/zinc/46/88/44/488468844.db2.gz LRGURPWLHDSERT-RRFJBIMHSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000246023328 488468846 /nfs/dbraw/zinc/46/88/46/488468846.db2.gz LRGURPWLHDSERT-RRFJBIMHSA-N 2 1 352.479 0.890 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC000246491756 488473655 /nfs/dbraw/zinc/47/36/55/488473655.db2.gz SMSJNGDKWHLEKN-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000093769467 488479989 /nfs/dbraw/zinc/47/99/89/488479989.db2.gz RCUIBBDBYWTKFL-UHFFFAOYSA-N 2 1 366.506 0.654 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000269243077 488481806 /nfs/dbraw/zinc/48/18/06/488481806.db2.gz BZTFHRJKMKZMGK-KRWDZBQOSA-N 2 1 360.458 0.320 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000269288955 488487005 /nfs/dbraw/zinc/48/70/05/488487005.db2.gz JUTQDOVWOXXJOF-MRXNPFEDSA-N 2 1 362.474 0.264 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247558297 488487515 /nfs/dbraw/zinc/48/75/15/488487515.db2.gz ZWIYIKSYTKOWGY-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102050400 488497458 /nfs/dbraw/zinc/49/74/58/488497458.db2.gz MLRNLLGNARAXQT-KRWDZBQOSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000248567520 488498264 /nfs/dbraw/zinc/49/82/64/488498264.db2.gz BZPXZVBMKVPFPL-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000248657429 488500029 /nfs/dbraw/zinc/50/00/29/488500029.db2.gz ALEUNSAFMJFGGH-HZPDHXFCSA-N 2 1 369.535 0.776 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000104800581 488505735 /nfs/dbraw/zinc/50/57/35/488505735.db2.gz LIAPRKIAIVDUGS-INIZCTEOSA-N 2 1 353.511 0.557 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)C ZINC000104801398 488506111 /nfs/dbraw/zinc/50/61/11/488506111.db2.gz BNGYWOCEGRGVTH-OAHLLOKOSA-N 2 1 353.511 0.711 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104800940 488506118 /nfs/dbraw/zinc/50/61/18/488506118.db2.gz YFJZXFAVVZXXSL-INIZCTEOSA-N 2 1 374.489 0.501 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)CN1CCOCC1 ZINC000249087595 488506211 /nfs/dbraw/zinc/50/62/11/488506211.db2.gz FZJNTNWEDJTKEC-JKSUJKDBSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000249087595 488506214 /nfs/dbraw/zinc/50/62/14/488506214.db2.gz FZJNTNWEDJTKEC-JKSUJKDBSA-N 2 1 356.511 0.441 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)C[C@@H](O)c3ccccc3)cn2)CC1 ZINC000269916860 488514409 /nfs/dbraw/zinc/51/44/09/488514409.db2.gz JPVFFWQOANCCPO-RTBURBONSA-N 2 1 371.485 0.803 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)COC1CCOCC1 ZINC000563011636 491207564 /nfs/dbraw/zinc/20/75/64/491207564.db2.gz NFINADRONMZJMY-OALUTQOASA-N 2 1 364.486 0.899 20 0 FCADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)COC1CCOCC1 ZINC000563011646 491207740 /nfs/dbraw/zinc/20/77/40/491207740.db2.gz NFINADRONMZJMY-RTBURBONSA-N 2 1 364.486 0.899 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261730976 488533395 /nfs/dbraw/zinc/53/33/95/488533395.db2.gz JVXDJDJZHLHIKC-UXLLHSPISA-N 2 1 360.458 0.829 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000112466025 488534810 /nfs/dbraw/zinc/53/48/10/488534810.db2.gz SJORQUFFXDRZQW-UHFFFAOYSA-N 2 1 353.511 0.668 20 0 FCADMP CC(C)N1CCC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261843562 488538153 /nfs/dbraw/zinc/53/81/53/488538153.db2.gz LSXATZGWJMAZKO-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC1CC[NH+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000114587380 488541723 /nfs/dbraw/zinc/54/17/23/488541723.db2.gz ZOILJUVCIFFRPF-UHFFFAOYSA-N 2 1 369.554 0.408 20 0 FCADMP COc1ccc(C[N@@H+](CCO)CCC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000262089889 488549564 /nfs/dbraw/zinc/54/95/64/488549564.db2.gz LIXROYLBCBPSEJ-UHFFFAOYSA-N 2 1 351.447 0.320 20 0 FCADMP Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1F ZINC000262102224 488550504 /nfs/dbraw/zinc/55/05/04/488550504.db2.gz MCWXKDHZRVPQLI-UHFFFAOYSA-N 2 1 362.449 0.714 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120315880 488561242 /nfs/dbraw/zinc/56/12/42/488561242.db2.gz RUXHOUNTBYWPPR-QAPCUYQASA-N 2 1 352.479 0.910 20 0 FCADMP C[NH+]1CCN(c2ccc(CNC(=O)NCC3=CC[N@@H+](C)CC3)cn2)CC1 ZINC000272123922 488563688 /nfs/dbraw/zinc/56/36/88/488563688.db2.gz UKCRFQFLEIKWLE-UHFFFAOYSA-N 2 1 358.490 0.895 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000562986701 491206313 /nfs/dbraw/zinc/20/63/13/491206313.db2.gz IHVLZAYZMOHAQR-IBGZPJMESA-N 2 1 360.502 0.770 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000562986701 491206315 /nfs/dbraw/zinc/20/63/15/491206315.db2.gz IHVLZAYZMOHAQR-IBGZPJMESA-N 2 1 360.502 0.770 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@@H]3COCC[NH2+]3)CC2)oc1C ZINC000262424256 488569620 /nfs/dbraw/zinc/56/96/20/488569620.db2.gz SBMRGFTYHVDCAN-MRXNPFEDSA-N 2 1 350.463 0.998 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262459798 488571599 /nfs/dbraw/zinc/57/15/99/488571599.db2.gz WXRPQIGBDXGHHM-DOTOQJQBSA-N 2 1 360.458 0.701 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000262575300 488578515 /nfs/dbraw/zinc/57/85/15/488578515.db2.gz IHTNYLZSMHWOSA-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1 ZINC000262643002 488584089 /nfs/dbraw/zinc/58/40/89/488584089.db2.gz LTEXNJLCWNPGBZ-QGZVFWFLSA-N 2 1 352.523 0.901 20 0 FCADMP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262897045 488598123 /nfs/dbraw/zinc/59/81/23/488598123.db2.gz PDIBZIZZCJXQAH-DLBZAZTESA-N 2 1 362.474 0.364 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000263260624 488607793 /nfs/dbraw/zinc/60/77/93/488607793.db2.gz SJUXFUSWTKIADT-WBMJQRKESA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000263260624 488607796 /nfs/dbraw/zinc/60/77/96/488607796.db2.gz SJUXFUSWTKIADT-WBMJQRKESA-N 2 1 352.504 0.710 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000563064941 491211958 /nfs/dbraw/zinc/21/19/58/491211958.db2.gz QRNURMWHRVYRRP-GOSISDBHSA-N 2 1 374.485 0.393 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263644365 488615582 /nfs/dbraw/zinc/61/55/82/488615582.db2.gz APTJUZZUVSAZFX-INIZCTEOSA-N 2 1 364.494 0.824 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263644365 488615583 /nfs/dbraw/zinc/61/55/83/488615583.db2.gz APTJUZZUVSAZFX-INIZCTEOSA-N 2 1 364.494 0.824 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263644366 488615733 /nfs/dbraw/zinc/61/57/33/488615733.db2.gz APTJUZZUVSAZFX-MRXNPFEDSA-N 2 1 364.494 0.824 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263644366 488615735 /nfs/dbraw/zinc/61/57/35/488615735.db2.gz APTJUZZUVSAZFX-MRXNPFEDSA-N 2 1 364.494 0.824 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+](C4CCOCC4)CC3)cn2)CC1 ZINC000129776360 488633712 /nfs/dbraw/zinc/63/37/12/488633712.db2.gz FRYHWHIBSBWLBP-UHFFFAOYSA-N 2 1 360.506 0.525 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129830220 488634148 /nfs/dbraw/zinc/63/41/48/488634148.db2.gz SMZOBQHBHLWJAV-HZPDHXFCSA-N 2 1 353.511 0.522 20 0 FCADMP Cn1cnc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000263947999 488637734 /nfs/dbraw/zinc/63/77/34/488637734.db2.gz VIPOISCIUCLUCF-UHFFFAOYSA-N 2 1 364.475 0.306 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000273229035 488639212 /nfs/dbraw/zinc/63/92/12/488639212.db2.gz UDJBCSAZSMYHJQ-HXUWFJFHSA-N 2 1 374.529 0.938 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130660565 488639365 /nfs/dbraw/zinc/63/93/65/488639365.db2.gz SEZHQXQRYVKCBM-JKSUJKDBSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000132063467 488650551 /nfs/dbraw/zinc/65/05/51/488650551.db2.gz JIHWDWFVYMAEAS-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136835345 488679085 /nfs/dbraw/zinc/67/90/85/488679085.db2.gz PGJBLPJAFQMJMO-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CCC(=O)N1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000151762835 488709610 /nfs/dbraw/zinc/70/96/10/488709610.db2.gz QWLZBKUCEASGTC-OAHLLOKOSA-N 2 1 353.511 0.665 20 0 FCADMP CCC(=O)N1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000151762835 488709612 /nfs/dbraw/zinc/70/96/12/488709612.db2.gz QWLZBKUCEASGTC-OAHLLOKOSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000274694367 488727948 /nfs/dbraw/zinc/72/79/48/488727948.db2.gz VVFFRDIVHOEFDB-UHFFFAOYSA-N 2 1 366.506 0.783 20 0 FCADMP Cn1cc([C@@H](CO)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000275220713 488774029 /nfs/dbraw/zinc/77/40/29/488774029.db2.gz UGUILHBMEQVINM-LJQANCHMSA-N 2 1 371.485 0.955 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000171319920 488822268 /nfs/dbraw/zinc/82/22/68/488822268.db2.gz ISCSZGPDALHKEK-QGZVFWFLSA-N 2 1 361.490 0.871 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000171659077 488825486 /nfs/dbraw/zinc/82/54/86/488825486.db2.gz GWCBVEGIZVYZLG-UHFFFAOYSA-N 2 1 364.465 0.832 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1=O ZINC000173855063 488845732 /nfs/dbraw/zinc/84/57/32/488845732.db2.gz UXYTUTLSWLFZKD-GOSISDBHSA-N 2 1 358.486 0.571 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174165162 488847566 /nfs/dbraw/zinc/84/75/66/488847566.db2.gz HXUXTTGOZRSSMA-OAHLLOKOSA-N 2 1 351.495 0.324 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176196691 488857575 /nfs/dbraw/zinc/85/75/75/488857575.db2.gz OASIHYUZVGSXRL-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000179280330 488861051 /nfs/dbraw/zinc/86/10/51/488861051.db2.gz VMHSGAGRTBUQLK-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000181405576 488863240 /nfs/dbraw/zinc/86/32/40/488863240.db2.gz UQJVXIBWJRCQIJ-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)NC[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000181405576 488863241 /nfs/dbraw/zinc/86/32/41/488863241.db2.gz UQJVXIBWJRCQIJ-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)NC[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000181405576 488863242 /nfs/dbraw/zinc/86/32/42/488863242.db2.gz UQJVXIBWJRCQIJ-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H](CO)[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916732 489017506 /nfs/dbraw/zinc/01/75/06/489017506.db2.gz OLACQGPJBJNYNY-MJGOQNOKSA-N 2 1 362.518 0.794 20 0 FCADMP COCCOCCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364940998 489021371 /nfs/dbraw/zinc/02/13/71/489021371.db2.gz NSWDWJMTABHDRI-QGZVFWFLSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000570264655 491228535 /nfs/dbraw/zinc/22/85/35/491228535.db2.gz OSHATAWPIFKIGL-IRXDYDNUSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000365143965 489043019 /nfs/dbraw/zinc/04/30/19/489043019.db2.gz NRBDPEBHVNTTAU-BBWFWOEESA-N 2 1 368.522 0.584 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184375 489047620 /nfs/dbraw/zinc/04/76/20/489047620.db2.gz NHXMXPLLHOUFJP-MSOLQXFVSA-N 2 1 366.506 0.603 20 0 FCADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000289265246 489054135 /nfs/dbraw/zinc/05/41/35/489054135.db2.gz WMZVCPZWOGFUSK-FUHWJXTLSA-N 2 1 363.506 0.843 20 0 FCADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2CN(C)CCN2C)cc1 ZINC000289265246 489054139 /nfs/dbraw/zinc/05/41/39/489054139.db2.gz WMZVCPZWOGFUSK-FUHWJXTLSA-N 2 1 363.506 0.843 20 0 FCADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000365339666 489065640 /nfs/dbraw/zinc/06/56/40/489065640.db2.gz ULLPESVEPSMOFL-QGZVFWFLSA-N 2 1 353.511 0.034 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000570294901 491231255 /nfs/dbraw/zinc/23/12/55/491231255.db2.gz XHUKAWUNKXHERU-KCQAQPDRSA-N 2 1 350.488 0.725 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 ZINC000281363117 489069952 /nfs/dbraw/zinc/06/99/52/489069952.db2.gz NZONSCPGQCZEMX-IKGGRYGDSA-N 2 1 360.458 0.836 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 ZINC000281363117 489069955 /nfs/dbraw/zinc/06/99/55/489069955.db2.gz NZONSCPGQCZEMX-IKGGRYGDSA-N 2 1 360.458 0.836 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000289662871 489085014 /nfs/dbraw/zinc/08/50/14/489085014.db2.gz FAGCOTQNHMIORR-NVXWUHKLSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000289662871 489085017 /nfs/dbraw/zinc/08/50/17/489085017.db2.gz FAGCOTQNHMIORR-NVXWUHKLSA-N 2 1 361.490 0.813 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365690114 489100776 /nfs/dbraw/zinc/10/07/76/489100776.db2.gz DBUICCSMHQIPCC-XNJGSVPQSA-N 2 1 350.467 0.305 20 0 FCADMP C[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000290326499 489131677 /nfs/dbraw/zinc/13/16/77/489131677.db2.gz AFWUKTXWOQSRRS-INIZCTEOSA-N 2 1 363.506 0.664 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330765714 489141393 /nfs/dbraw/zinc/14/13/93/489141393.db2.gz KEUWYZBONYRUHF-HNNXBMFYSA-N 2 1 374.551 0.237 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330765714 489141396 /nfs/dbraw/zinc/14/13/96/489141396.db2.gz KEUWYZBONYRUHF-HNNXBMFYSA-N 2 1 374.551 0.237 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366238653 489161615 /nfs/dbraw/zinc/16/16/15/489161615.db2.gz DZQSLLRJGOWHAT-IRXDYDNUSA-N 2 1 356.511 0.897 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366238653 489161618 /nfs/dbraw/zinc/16/16/18/489161618.db2.gz DZQSLLRJGOWHAT-IRXDYDNUSA-N 2 1 356.511 0.897 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000366291964 489167679 /nfs/dbraw/zinc/16/76/79/489167679.db2.gz NLLGDDIHBURZDP-HZPDHXFCSA-N 2 1 364.494 1.210 20 0 FCADMP COCC[NH+](CCO)Cc1cc(C[N@H+](CCO)CCOC)cc(OC)c1 ZINC000292778783 489179103 /nfs/dbraw/zinc/17/91/03/489179103.db2.gz YWBZSNIGQGAHFT-UHFFFAOYSA-N 2 1 370.490 0.577 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000366788363 489199833 /nfs/dbraw/zinc/19/98/33/489199833.db2.gz OECNIBPKHPOTLC-CQSZACIVSA-N 2 1 350.467 0.992 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000367571537 489207644 /nfs/dbraw/zinc/20/76/44/489207644.db2.gz BFNUGTVLZNDUBO-FUHWJXTLSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000331458743 489214468 /nfs/dbraw/zinc/21/44/68/489214468.db2.gz PVBBCHSPRSCECH-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[N@@H+](C)C1 ZINC000332801737 489233027 /nfs/dbraw/zinc/23/30/27/489233027.db2.gz YRKXNZVULCXDJU-XSLAGTTESA-N 2 1 368.522 0.725 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000283273120 489237049 /nfs/dbraw/zinc/23/70/49/489237049.db2.gz CKEHMZGGKWGIDL-UHFFFAOYSA-N 2 1 372.513 0.974 20 0 FCADMP C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000332927922 489247015 /nfs/dbraw/zinc/24/70/15/489247015.db2.gz NDIYLDCDONUFON-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000332927922 489247018 /nfs/dbraw/zinc/24/70/18/489247018.db2.gz NDIYLDCDONUFON-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)C[C@H](C)O1 ZINC000332947181 489249395 /nfs/dbraw/zinc/24/93/95/489249395.db2.gz VILNHBWNOSQZEO-FZKCQIBNSA-N 2 1 354.495 0.599 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)C[C@H](C)O1 ZINC000332947181 489249398 /nfs/dbraw/zinc/24/93/98/489249398.db2.gz VILNHBWNOSQZEO-FZKCQIBNSA-N 2 1 354.495 0.599 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333896493 489263796 /nfs/dbraw/zinc/26/37/96/489263796.db2.gz ZCLOUEYZSFOARN-BRWVUGGUSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988889 489264941 /nfs/dbraw/zinc/26/49/41/489264941.db2.gz INFPUQZZYLZDJM-NVXWUHKLSA-N 2 1 366.506 0.650 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988889 489264942 /nfs/dbraw/zinc/26/49/42/489264942.db2.gz INFPUQZZYLZDJM-NVXWUHKLSA-N 2 1 366.506 0.650 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000369730121 489268503 /nfs/dbraw/zinc/26/85/03/489268503.db2.gz CPVYBQSZRDKYEA-IAGOWNOFSA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000369730121 489268506 /nfs/dbraw/zinc/26/85/06/489268506.db2.gz CPVYBQSZRDKYEA-IAGOWNOFSA-N 2 1 352.523 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738426 489269492 /nfs/dbraw/zinc/26/94/92/489269492.db2.gz XVWYCBDPMJJMLO-KBAYOESNSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738426 489269493 /nfs/dbraw/zinc/26/94/93/489269493.db2.gz XVWYCBDPMJJMLO-KBAYOESNSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738426 489269496 /nfs/dbraw/zinc/26/94/96/489269496.db2.gz XVWYCBDPMJJMLO-KBAYOESNSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532033 489271262 /nfs/dbraw/zinc/27/12/62/489271262.db2.gz RGGBWKKGWGXVGG-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501165 491245046 /nfs/dbraw/zinc/24/50/46/491245046.db2.gz LBVKPRFNVDCQEJ-WBVHZDCISA-N 2 1 359.474 0.238 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369984154 489299695 /nfs/dbraw/zinc/29/96/95/489299695.db2.gz HCKICMUAUOMRJE-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369984154 489299697 /nfs/dbraw/zinc/29/96/97/489299697.db2.gz HCKICMUAUOMRJE-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369984154 489299701 /nfs/dbraw/zinc/29/97/01/489299701.db2.gz HCKICMUAUOMRJE-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CCN1CCCN(C(=O)C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)CC1 ZINC000298173827 489300132 /nfs/dbraw/zinc/30/01/32/489300132.db2.gz UJAUXHHFZSUWST-KRWDZBQOSA-N 2 1 373.501 0.841 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000298204386 489303620 /nfs/dbraw/zinc/30/36/20/489303620.db2.gz XUWFFIMGCJMEFD-UHFFFAOYSA-N 2 1 365.478 0.221 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000370125694 489317977 /nfs/dbraw/zinc/31/79/77/489317977.db2.gz JTHNIIPMKQXKLT-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000570489841 491244040 /nfs/dbraw/zinc/24/40/40/491244040.db2.gz NPCDHAQGLGPFID-HRCADAONSA-N 2 1 355.479 0.582 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000361729714 489363779 /nfs/dbraw/zinc/36/37/79/489363779.db2.gz UIYZXEUBMUHCCU-DOTOQJQBSA-N 2 1 359.474 0.360 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000361729714 489363780 /nfs/dbraw/zinc/36/37/80/489363780.db2.gz UIYZXEUBMUHCCU-DOTOQJQBSA-N 2 1 359.474 0.360 20 0 FCADMP Cc1cc(NC(=O)C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000370582258 489377729 /nfs/dbraw/zinc/37/77/29/489377729.db2.gz DEYCWPQYAWQONK-UHFFFAOYSA-N 2 1 363.462 0.798 20 0 FCADMP C[N@@H+](C[C@@H](O)CNCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254100 /nfs/dbraw/zinc/25/41/00/491254100.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254102 /nfs/dbraw/zinc/25/41/02/491254102.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254103 /nfs/dbraw/zinc/25/41/03/491254103.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 2 1 374.529 0.929 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)n1C ZINC000286915559 489443238 /nfs/dbraw/zinc/44/32/38/489443238.db2.gz LYAOBSUGDWEFGT-UHFFFAOYSA-N 2 1 350.467 0.047 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000286966413 489447670 /nfs/dbraw/zinc/44/76/70/489447670.db2.gz DVQJNJMAUQNCNJ-MRXNPFEDSA-N 2 1 364.490 0.835 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1C ZINC000287150722 489465312 /nfs/dbraw/zinc/46/53/12/489465312.db2.gz YLMHPUCAYVPZQJ-DZGCQCFKSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1C ZINC000287150722 489465314 /nfs/dbraw/zinc/46/53/14/489465314.db2.gz YLMHPUCAYVPZQJ-DZGCQCFKSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1C ZINC000287150722 489465316 /nfs/dbraw/zinc/46/53/16/489465316.db2.gz YLMHPUCAYVPZQJ-DZGCQCFKSA-N 2 1 362.478 0.045 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cn2)CC1 ZINC000371324995 489477055 /nfs/dbraw/zinc/47/70/55/489477055.db2.gz BIUFSBCBNZXARD-QZTJIDSGSA-N 2 1 360.506 0.259 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000570667753 491256792 /nfs/dbraw/zinc/25/67/92/491256792.db2.gz IELHRRDHJPQNNS-HOCLYGCPSA-N 2 1 368.522 0.794 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423115885 489494385 /nfs/dbraw/zinc/49/43/85/489494385.db2.gz OLRXCKIKTHBBLX-OAHLLOKOSA-N 2 1 364.515 0.503 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423135453 489496296 /nfs/dbraw/zinc/49/62/96/489496296.db2.gz UAZZRMIHLZODSN-QGZVFWFLSA-N 2 1 369.554 0.303 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423135453 489496297 /nfs/dbraw/zinc/49/62/97/489496297.db2.gz UAZZRMIHLZODSN-QGZVFWFLSA-N 2 1 369.554 0.303 20 0 FCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563626885 491259121 /nfs/dbraw/zinc/25/91/21/491259121.db2.gz WYDLAPCSNZPAOX-QAPCUYQASA-N 2 1 367.538 0.057 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000423158155 489498207 /nfs/dbraw/zinc/49/82/07/489498207.db2.gz CDFTWWHDEOLHIE-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000423193062 489501468 /nfs/dbraw/zinc/50/14/68/489501468.db2.gz WJYPAPBGNCBAJX-DOTOQJQBSA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423232022 489506062 /nfs/dbraw/zinc/50/60/62/489506062.db2.gz BSWAMAQSDODFKG-UKPHBRMFSA-N 2 1 362.449 0.631 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000425650972 489519897 /nfs/dbraw/zinc/51/98/97/489519897.db2.gz KRMNPHWNCHZEPO-UHFFFAOYSA-N 2 1 352.483 1.019 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616289 491260309 /nfs/dbraw/zinc/26/03/09/491260309.db2.gz RFGFTPQKJASNSU-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000563639692 491260491 /nfs/dbraw/zinc/26/04/91/491260491.db2.gz KQLHIDARQXJHMM-HNNXBMFYSA-N 2 1 350.463 0.957 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000415442919 489521799 /nfs/dbraw/zinc/52/17/99/489521799.db2.gz GLGUCVONLVSZNT-YJBOKZPZSA-N 2 1 374.485 0.696 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415497897 489525613 /nfs/dbraw/zinc/52/56/13/489525613.db2.gz PRFKIBMSBIQXMU-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP Cc1[nH+]ccn1CC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451987869 489535689 /nfs/dbraw/zinc/53/56/89/489535689.db2.gz MTQBTAUNSXWJHI-UHFFFAOYSA-N 2 1 356.423 0.989 20 0 FCADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451987869 489535692 /nfs/dbraw/zinc/53/56/92/489535692.db2.gz MTQBTAUNSXWJHI-UHFFFAOYSA-N 2 1 356.423 0.989 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000425874551 489537821 /nfs/dbraw/zinc/53/78/21/489537821.db2.gz ROEKVZFFUQYYFK-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000425874551 489537825 /nfs/dbraw/zinc/53/78/25/489537825.db2.gz ROEKVZFFUQYYFK-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415659434 489540241 /nfs/dbraw/zinc/54/02/41/489540241.db2.gz AACAHXGYQBLOQP-YJBOKZPZSA-N 2 1 374.485 0.757 20 0 FCADMP CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115312 489546050 /nfs/dbraw/zinc/54/60/50/489546050.db2.gz GGACYDZBNIUXTL-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1Cl ZINC000415847513 489558583 /nfs/dbraw/zinc/55/85/83/489558583.db2.gz CCWCLRJNBJORDD-AWEZNQCLSA-N 2 1 368.865 0.916 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002566 489567362 /nfs/dbraw/zinc/56/73/62/489567362.db2.gz FDIUMDYLFMIYON-CYBMUJFWSA-N 2 1 353.433 0.934 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002566 489567364 /nfs/dbraw/zinc/56/73/64/489567364.db2.gz FDIUMDYLFMIYON-CYBMUJFWSA-N 2 1 353.433 0.934 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660928 491263533 /nfs/dbraw/zinc/26/35/33/491263533.db2.gz NDXZCHZYOIHOJN-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730874 491268087 /nfs/dbraw/zinc/26/80/87/491268087.db2.gz MDXDYWKBBTUFPX-RDJZCZTQSA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000555730874 491268088 /nfs/dbraw/zinc/26/80/88/491268088.db2.gz MDXDYWKBBTUFPX-RDJZCZTQSA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000555730874 491268092 /nfs/dbraw/zinc/26/80/92/491268092.db2.gz MDXDYWKBBTUFPX-RDJZCZTQSA-N 2 1 366.506 0.226 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000426894853 489586166 /nfs/dbraw/zinc/58/61/66/489586166.db2.gz DWMBDTFCFSRJIA-WBVHZDCISA-N 2 1 351.447 0.647 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000426894853 489586170 /nfs/dbraw/zinc/58/61/70/489586170.db2.gz DWMBDTFCFSRJIA-WBVHZDCISA-N 2 1 351.447 0.647 20 0 FCADMP CCc1nsc(N2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000372471810 489588012 /nfs/dbraw/zinc/58/80/12/489588012.db2.gz HXFSYVOQGPDUJO-UHFFFAOYSA-N 2 1 366.535 0.777 20 0 FCADMP CCc1nsc(N2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000372471810 489588013 /nfs/dbraw/zinc/58/80/13/489588013.db2.gz HXFSYVOQGPDUJO-UHFFFAOYSA-N 2 1 366.535 0.777 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000555681306 491265542 /nfs/dbraw/zinc/26/55/42/491265542.db2.gz HIGZLNRGVBLFGX-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000555729989 491268127 /nfs/dbraw/zinc/26/81/27/491268127.db2.gz BGBLJAYEWOKOJG-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000555729989 491268130 /nfs/dbraw/zinc/26/81/30/491268130.db2.gz BGBLJAYEWOKOJG-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000555729989 491268132 /nfs/dbraw/zinc/26/81/32/491268132.db2.gz BGBLJAYEWOKOJG-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427778583 489620103 /nfs/dbraw/zinc/62/01/03/489620103.db2.gz JRXJTHXOCDTNGE-ZCVDQKGDSA-N 2 1 362.518 0.299 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000563763578 491267715 /nfs/dbraw/zinc/26/77/15/491267715.db2.gz VNHLWMDANJDQNC-PZJWPPBQSA-N 2 1 373.497 0.850 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000563763578 491267717 /nfs/dbraw/zinc/26/77/17/491267717.db2.gz VNHLWMDANJDQNC-PZJWPPBQSA-N 2 1 373.497 0.850 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417031334 489639228 /nfs/dbraw/zinc/63/92/28/489639228.db2.gz BNNLKXHXDFBPFE-KRWDZBQOSA-N 2 1 363.506 0.732 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000417049937 489639812 /nfs/dbraw/zinc/63/98/12/489639812.db2.gz IEMRYKLWISEEBD-XIRDDKMYSA-N 2 1 365.522 0.746 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417056040 489640027 /nfs/dbraw/zinc/64/00/27/489640027.db2.gz YJLDLIZEEPDBBM-MRXNPFEDSA-N 2 1 355.527 0.992 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417140742 489643473 /nfs/dbraw/zinc/64/34/73/489643473.db2.gz QMKIJEYKWBLZQU-HRCADAONSA-N 2 1 351.495 0.642 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417252258 489645458 /nfs/dbraw/zinc/64/54/58/489645458.db2.gz JIAOIXBCAVKLIR-TWMKSMIVSA-N 2 1 367.538 0.849 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242117 489645669 /nfs/dbraw/zinc/64/56/69/489645669.db2.gz SYCXIXJSOMIJHP-HZPDHXFCSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417363652 489649480 /nfs/dbraw/zinc/64/94/80/489649480.db2.gz GIRLMUTVEBCSSN-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570839991 491268834 /nfs/dbraw/zinc/26/88/34/491268834.db2.gz RMPDYDXUNRSDSY-BMGDILEWSA-N 2 1 358.486 0.998 20 0 FCADMP C[NH+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000457596929 489650703 /nfs/dbraw/zinc/65/07/03/489650703.db2.gz JEXBORKCVLAKTL-UHFFFAOYSA-N 2 1 363.510 0.628 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417389952 489651178 /nfs/dbraw/zinc/65/11/78/489651178.db2.gz QBFGTTDQMMUGOT-HXUWFJFHSA-N 2 1 372.517 0.989 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)N1CCOCC1 ZINC000457610546 489651346 /nfs/dbraw/zinc/65/13/46/489651346.db2.gz UTBOPSOEODDCNK-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457610546 489651350 /nfs/dbraw/zinc/65/13/50/489651350.db2.gz UTBOPSOEODDCNK-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000457658820 489653117 /nfs/dbraw/zinc/65/31/17/489653117.db2.gz FEELOOSYQRIZSV-KRWDZBQOSA-N 2 1 357.458 0.597 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000555732378 491269239 /nfs/dbraw/zinc/26/92/39/491269239.db2.gz IKCILRQQMINNQP-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000555732378 491269241 /nfs/dbraw/zinc/26/92/41/491269241.db2.gz IKCILRQQMINNQP-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000555732378 491269244 /nfs/dbraw/zinc/26/92/44/491269244.db2.gz IKCILRQQMINNQP-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000417544383 489657602 /nfs/dbraw/zinc/65/76/02/489657602.db2.gz HMINVMVVRBUTGK-MSOLQXFVSA-N 2 1 373.501 0.935 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H]([NH3+])C3CC3)c2)C1 ZINC000417543291 489657637 /nfs/dbraw/zinc/65/76/37/489657637.db2.gz FTENGLVHIQRRDD-MSOLQXFVSA-N 2 1 373.501 0.920 20 0 FCADMP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000417550841 489658477 /nfs/dbraw/zinc/65/84/77/489658477.db2.gz MMTMRQTVZVDOJJ-YPMHNXCESA-N 2 1 351.417 0.604 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417614902 489659725 /nfs/dbraw/zinc/65/97/25/489659725.db2.gz WIUUXLKWGHVBHM-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417745751 489664210 /nfs/dbraw/zinc/66/42/10/489664210.db2.gz FJJFGGVOYWFXAO-BPQIPLTHSA-N 2 1 351.539 0.947 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000458372304 489679978 /nfs/dbraw/zinc/67/99/78/489679978.db2.gz QQRNVPBOFQBUKZ-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000458372304 489679980 /nfs/dbraw/zinc/67/99/80/489679980.db2.gz QQRNVPBOFQBUKZ-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426989 489682464 /nfs/dbraw/zinc/68/24/64/489682464.db2.gz NQXHOUWODYWLCF-HOTGVXAUSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426989 489682466 /nfs/dbraw/zinc/68/24/66/489682466.db2.gz NQXHOUWODYWLCF-HOTGVXAUSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426989 489682468 /nfs/dbraw/zinc/68/24/68/489682468.db2.gz NQXHOUWODYWLCF-HOTGVXAUSA-N 2 1 353.511 0.698 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418187406 489683795 /nfs/dbraw/zinc/68/37/95/489683795.db2.gz VLADLMGAYYTOLJ-GOOCMWNKSA-N 2 1 353.511 0.887 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205919 489684825 /nfs/dbraw/zinc/68/48/25/489684825.db2.gz ZVGYIWLORUJOGF-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000418285712 489688451 /nfs/dbraw/zinc/68/84/51/489688451.db2.gz XBRJESKYJXFNGR-MRXNPFEDSA-N 2 1 356.511 0.883 20 0 FCADMP C[C@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CCC[N@H+]1C ZINC000458668694 489694347 /nfs/dbraw/zinc/69/43/47/489694347.db2.gz VWVRQPPDABLNLM-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[N@@H+]1C ZINC000458668694 489694349 /nfs/dbraw/zinc/69/43/49/489694349.db2.gz VWVRQPPDABLNLM-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000458737483 489699418 /nfs/dbraw/zinc/69/94/18/489699418.db2.gz VYLSJDJNBPYGAH-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1(C)C ZINC000458737483 489699421 /nfs/dbraw/zinc/69/94/21/489699421.db2.gz VYLSJDJNBPYGAH-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1(C)C ZINC000458737483 489699424 /nfs/dbraw/zinc/69/94/24/489699424.db2.gz VYLSJDJNBPYGAH-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418541803 489705847 /nfs/dbraw/zinc/70/58/47/489705847.db2.gz QZESEQSXUXXCBL-LSDHHAIUSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418541803 489705849 /nfs/dbraw/zinc/70/58/49/489705849.db2.gz QZESEQSXUXXCBL-LSDHHAIUSA-N 2 1 356.417 0.763 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418628766 489712901 /nfs/dbraw/zinc/71/29/01/489712901.db2.gz CRMRAQVLDLZQOD-IRXDYDNUSA-N 2 1 359.474 0.512 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000555795609 491273577 /nfs/dbraw/zinc/27/35/77/491273577.db2.gz PEFCJCWCOMSJIV-UHFFFAOYSA-N 2 1 356.434 1.233 20 0 FCADMP COC[C@]1(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CCC[NH2+]1 ZINC000418654169 489716508 /nfs/dbraw/zinc/71/65/08/489716508.db2.gz LWQGRPQYAZRWCR-WMLDXEAASA-N 2 1 356.467 0.034 20 0 FCADMP COC[C@]1(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CCC[NH2+]1 ZINC000418654169 489716511 /nfs/dbraw/zinc/71/65/11/489716511.db2.gz LWQGRPQYAZRWCR-WMLDXEAASA-N 2 1 356.467 0.034 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000489542011 489716715 /nfs/dbraw/zinc/71/67/15/489716715.db2.gz AAOIXSUPZYBTFM-ROUUACIJSA-N 2 1 369.554 0.549 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810272 489733549 /nfs/dbraw/zinc/73/35/49/489733549.db2.gz HAFVNNLPNCBFEA-JXFKEZNVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418819176 489737375 /nfs/dbraw/zinc/73/73/75/489737375.db2.gz ODIZFWDGWPEVMS-JXFKEZNVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822516 489739560 /nfs/dbraw/zinc/73/95/60/489739560.db2.gz ARYJBFUCGYRLBN-JKSUJKDBSA-N 2 1 366.506 0.333 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000418824513 489739781 /nfs/dbraw/zinc/73/97/81/489739781.db2.gz SRHWCBGSPZCNNB-JCGIZDLHSA-N 2 1 369.469 0.897 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000418825632 489741146 /nfs/dbraw/zinc/74/11/46/489741146.db2.gz AJZTWJOUHOZGIS-HOCLYGCPSA-N 2 1 362.474 0.754 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418825660 489741654 /nfs/dbraw/zinc/74/16/54/489741654.db2.gz AOJXSRCOKMLZRI-HOCLYGCPSA-N 2 1 362.474 0.530 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000418830200 489743444 /nfs/dbraw/zinc/74/34/44/489743444.db2.gz FMZXCLSNIMBGSY-OXQOHEQNSA-N 2 1 374.485 0.626 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000418836036 489746637 /nfs/dbraw/zinc/74/66/37/489746637.db2.gz OTOVJRUXADEKDB-HOTGVXAUSA-N 2 1 362.474 0.991 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000430584272 489748497 /nfs/dbraw/zinc/74/84/97/489748497.db2.gz ORXIMYBCBYHQRK-SFHVURJKSA-N 3 1 354.539 0.781 20 0 FCADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCSCC1 ZINC000376527080 489748662 /nfs/dbraw/zinc/74/86/62/489748662.db2.gz FGSPKTCQKTXCHW-INIZCTEOSA-N 2 1 354.564 0.910 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000418839656 489750100 /nfs/dbraw/zinc/75/01/00/489750100.db2.gz DHLBAGBRWRUURE-AKHDSKFASA-N 2 1 370.497 0.963 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000418839641 489750420 /nfs/dbraw/zinc/75/04/20/489750420.db2.gz DGXFGKGZAZNECT-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418843039 489752081 /nfs/dbraw/zinc/75/20/81/489752081.db2.gz RBMRWEIHIZWOFG-BEFAXECRSA-N 2 1 360.458 0.745 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430609991 489752411 /nfs/dbraw/zinc/75/24/11/489752411.db2.gz JGNDXZMZRNZCTL-FUHWJXTLSA-N 2 1 358.486 0.967 20 0 FCADMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430611076 489753188 /nfs/dbraw/zinc/75/31/88/489753188.db2.gz MYLPOUKDSXMXHH-SFHVURJKSA-N 2 1 358.486 0.755 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000418848595 489754348 /nfs/dbraw/zinc/75/43/48/489754348.db2.gz LUQBLLSYUHZFRX-UKRRQHHQSA-N 2 1 350.463 0.528 20 0 FCADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430618203 489754842 /nfs/dbraw/zinc/75/48/42/489754842.db2.gz RTFRIUGCSVOLQI-CQSZACIVSA-N 2 1 350.488 0.703 20 0 FCADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430618203 489754846 /nfs/dbraw/zinc/75/48/46/489754846.db2.gz RTFRIUGCSVOLQI-CQSZACIVSA-N 2 1 350.488 0.703 20 0 FCADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430629548 489757913 /nfs/dbraw/zinc/75/79/13/489757913.db2.gz OOPHOKNBKQZHAE-GJZGRUSLSA-N 2 1 365.478 1.267 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000430631955 489759545 /nfs/dbraw/zinc/75/95/45/489759545.db2.gz WGQXEBGMNYNOOA-OAHLLOKOSA-N 2 1 366.893 0.786 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000418855598 489759744 /nfs/dbraw/zinc/75/97/44/489759744.db2.gz VEAUXAURIDSLRV-GDBMZVCRSA-N 2 1 364.490 0.904 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)n1C ZINC000418857597 489760593 /nfs/dbraw/zinc/76/05/93/489760593.db2.gz SLLCVHMQEPUGGY-UHFFFAOYSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1 ZINC000418858838 489761335 /nfs/dbraw/zinc/76/13/35/489761335.db2.gz KFTCFAUYALRDDY-AWEZNQCLSA-N 2 1 356.417 0.896 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418859766 489761356 /nfs/dbraw/zinc/76/13/56/489761356.db2.gz KTPNLTGVRGVCSW-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430643587 489761506 /nfs/dbraw/zinc/76/15/06/489761506.db2.gz XIFFEBYDPGGVHU-FAKMSMKASA-N 2 1 362.518 0.858 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418861144 489762583 /nfs/dbraw/zinc/76/25/83/489762583.db2.gz MQTJVJYTGRMFEH-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418860671 489762682 /nfs/dbraw/zinc/76/26/82/489762682.db2.gz MALUNBIVTNGMCT-FXAWDEMLSA-N 2 1 356.470 0.589 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863666 489763705 /nfs/dbraw/zinc/76/37/05/489763705.db2.gz BSKTVWOOLJJVFL-CVEARBPZSA-N 2 1 368.522 0.498 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430654684 489763916 /nfs/dbraw/zinc/76/39/16/489763916.db2.gz QQDANQGTZVVCJD-CQSZACIVSA-N 2 1 366.437 0.108 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418866578 489765484 /nfs/dbraw/zinc/76/54/84/489765484.db2.gz OBBJMPAOLSADHS-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418880257 489772386 /nfs/dbraw/zinc/77/23/86/489772386.db2.gz PCACPMVKMYCAHS-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418880699 489773604 /nfs/dbraw/zinc/77/36/04/489773604.db2.gz PWEQZPIJIITVEM-FXUDXRNXSA-N 2 1 350.507 0.951 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418883335 489774206 /nfs/dbraw/zinc/77/42/06/489774206.db2.gz UYIRKJBZGRQLKP-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CNC(=O)NC(=O)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430911971 489776595 /nfs/dbraw/zinc/77/65/95/489776595.db2.gz JUIPSEOVXZEHGB-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CNC(=O)NC(=O)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430911971 489776600 /nfs/dbraw/zinc/77/66/00/489776600.db2.gz JUIPSEOVXZEHGB-UHFFFAOYSA-N 3 1 367.538 0.960 20 0 FCADMP CNC(=O)NC(=O)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430911971 489776604 /nfs/dbraw/zinc/77/66/04/489776604.db2.gz JUIPSEOVXZEHGB-UHFFFAOYSA-N 3 1 367.538 0.960 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929713 489778740 /nfs/dbraw/zinc/77/87/40/489778740.db2.gz YKPMHEFULKLCLT-HNNXBMFYSA-N 2 1 366.510 0.943 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)CC1 ZINC000430941177 489779631 /nfs/dbraw/zinc/77/96/31/489779631.db2.gz UTORFWCTBPGIPW-UHFFFAOYSA-N 2 1 361.425 0.980 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000459916761 489791009 /nfs/dbraw/zinc/79/10/09/489791009.db2.gz INMCPATVOBNOMV-IBGZPJMESA-N 2 1 366.506 0.111 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000418917840 489791248 /nfs/dbraw/zinc/79/12/48/489791248.db2.gz IJPJXHOJWHNEAV-CVEARBPZSA-N 2 1 354.495 0.047 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000459920171 489793385 /nfs/dbraw/zinc/79/33/85/489793385.db2.gz MVEDZTSSQWDJMD-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000431280881 489798789 /nfs/dbraw/zinc/79/87/89/489798789.db2.gz CQMGUTGRJTYOIE-JKSUJKDBSA-N 2 1 365.522 0.903 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H]1C ZINC000459985444 489809691 /nfs/dbraw/zinc/80/96/91/489809691.db2.gz DMIWFMARXGTCKO-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000459995388 489811937 /nfs/dbraw/zinc/81/19/37/489811937.db2.gz NRIHQXNKPOHKKL-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000459995388 489811940 /nfs/dbraw/zinc/81/19/40/489811940.db2.gz NRIHQXNKPOHKKL-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995388 489811943 /nfs/dbraw/zinc/81/19/43/489811943.db2.gz NRIHQXNKPOHKKL-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995388 489811945 /nfs/dbraw/zinc/81/19/45/489811945.db2.gz NRIHQXNKPOHKKL-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000459997767 489813285 /nfs/dbraw/zinc/81/32/85/489813285.db2.gz UDZYACVWAPLRAF-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459997767 489813289 /nfs/dbraw/zinc/81/32/89/489813289.db2.gz UDZYACVWAPLRAF-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997767 489813293 /nfs/dbraw/zinc/81/32/93/489813293.db2.gz UDZYACVWAPLRAF-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000459997768 489813412 /nfs/dbraw/zinc/81/34/12/489813412.db2.gz UDZYACVWAPLRAF-QZTJIDSGSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459997768 489813416 /nfs/dbraw/zinc/81/34/16/489813416.db2.gz UDZYACVWAPLRAF-QZTJIDSGSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997768 489813419 /nfs/dbraw/zinc/81/34/19/489813419.db2.gz UDZYACVWAPLRAF-QZTJIDSGSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419021349 489820305 /nfs/dbraw/zinc/82/03/05/489820305.db2.gz GXXSTLIRLUWJHH-QXSJWSMHSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419023946 489822839 /nfs/dbraw/zinc/82/28/39/489822839.db2.gz KMIDDWJGBBIBSF-ONTMVUMWSA-N 2 1 364.534 0.973 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000419026264 489823770 /nfs/dbraw/zinc/82/37/70/489823770.db2.gz NEMCYFVXOTVBQE-GASCZTMLSA-N 2 1 371.416 0.614 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419033147 489826704 /nfs/dbraw/zinc/82/67/04/489826704.db2.gz XVKFWNPKRQMXCQ-OWCLPIDISA-N 2 1 352.523 0.975 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000419034472 489827615 /nfs/dbraw/zinc/82/76/15/489827615.db2.gz ZRCRGXMCXZACSR-CQSZACIVSA-N 2 1 359.405 0.804 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041378 489829593 /nfs/dbraw/zinc/82/95/93/489829593.db2.gz BTJIOPCDRNVLEB-DOTOQJQBSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041378 489829595 /nfs/dbraw/zinc/82/95/95/489829595.db2.gz BTJIOPCDRNVLEB-DOTOQJQBSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041378 489829596 /nfs/dbraw/zinc/82/95/96/489829596.db2.gz BTJIOPCDRNVLEB-DOTOQJQBSA-N 2 1 364.490 0.005 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000563984593 491281809 /nfs/dbraw/zinc/28/18/09/491281809.db2.gz ISASANYICOYWHA-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000563984593 491281812 /nfs/dbraw/zinc/28/18/12/491281812.db2.gz ISASANYICOYWHA-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050699 489835364 /nfs/dbraw/zinc/83/53/64/489835364.db2.gz YUYCRGTWOQHONG-DDBAPUKQSA-N 2 1 356.470 0.758 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000419058750 489839375 /nfs/dbraw/zinc/83/93/75/489839375.db2.gz CEMXDUASGXGEOO-ZIAGYGMSSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419065346 489842095 /nfs/dbraw/zinc/84/20/95/489842095.db2.gz DEHMJOJRAWRPOU-GJZGRUSLSA-N 2 1 362.474 0.235 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419065346 489842100 /nfs/dbraw/zinc/84/21/00/489842100.db2.gz DEHMJOJRAWRPOU-GJZGRUSLSA-N 2 1 362.474 0.235 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CCO1 ZINC000419071434 489845148 /nfs/dbraw/zinc/84/51/48/489845148.db2.gz LFEMBCCJMMGNBY-OAHLLOKOSA-N 2 1 374.485 0.521 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CCO1 ZINC000419071434 489845150 /nfs/dbraw/zinc/84/51/50/489845150.db2.gz LFEMBCCJMMGNBY-OAHLLOKOSA-N 2 1 374.485 0.521 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)c2)CCO1 ZINC000419078050 489848537 /nfs/dbraw/zinc/84/85/37/489848537.db2.gz SKPMGMYVRHWUCQ-MRXNPFEDSA-N 2 1 374.485 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)c2)CCO1 ZINC000419078050 489848542 /nfs/dbraw/zinc/84/85/42/489848542.db2.gz SKPMGMYVRHWUCQ-MRXNPFEDSA-N 2 1 374.485 0.345 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081497 489849188 /nfs/dbraw/zinc/84/91/88/489849188.db2.gz YUIFINGFMRYMKQ-KDOFPFPSSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081497 489849192 /nfs/dbraw/zinc/84/91/92/489849192.db2.gz YUIFINGFMRYMKQ-KDOFPFPSSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000419083473 489850595 /nfs/dbraw/zinc/85/05/95/489850595.db2.gz KDWJXIUZNYTDGT-ZJIFWQFVSA-N 2 1 368.522 0.576 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000377092411 489851287 /nfs/dbraw/zinc/85/12/87/489851287.db2.gz GZDFJKQOXMFKJM-UHFFFAOYSA-N 2 1 362.478 0.689 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000460268444 489860227 /nfs/dbraw/zinc/86/02/27/489860227.db2.gz HQWFGOQDEIRPEX-LJQANCHMSA-N 2 1 364.490 0.535 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419115425 489861873 /nfs/dbraw/zinc/86/18/73/489861873.db2.gz JNSQGIYGSUMOCQ-HZPDHXFCSA-N 2 1 354.495 0.093 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000419117984 489863491 /nfs/dbraw/zinc/86/34/91/489863491.db2.gz MZDGTZPDXCPAEG-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120120 489864068 /nfs/dbraw/zinc/86/40/68/489864068.db2.gz PRGPRMUTGYHEGS-XIRDDKMYSA-N 2 1 368.522 0.483 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419986994 489874085 /nfs/dbraw/zinc/87/40/85/489874085.db2.gz WXYGTBYMHZDYGT-FGTMMUONSA-N 2 1 358.486 0.676 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000419991491 489874670 /nfs/dbraw/zinc/87/46/70/489874670.db2.gz DKLVSQQJELMOBM-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000419991491 489874673 /nfs/dbraw/zinc/87/46/73/489874673.db2.gz DKLVSQQJELMOBM-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC000433451427 489885268 /nfs/dbraw/zinc/88/52/68/489885268.db2.gz BVZZMEZZQHJCPL-MSOLQXFVSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC000433451430 489885353 /nfs/dbraw/zinc/88/53/53/489885353.db2.gz BVZZMEZZQHJCPL-QZTJIDSGSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000433458759 489886275 /nfs/dbraw/zinc/88/62/75/489886275.db2.gz UXJMUPXBTGZDNW-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458759 489886276 /nfs/dbraw/zinc/88/62/76/489886276.db2.gz UXJMUPXBTGZDNW-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458759 489886280 /nfs/dbraw/zinc/88/62/80/489886280.db2.gz UXJMUPXBTGZDNW-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058176 489896698 /nfs/dbraw/zinc/89/66/98/489896698.db2.gz OATVLXQFAYELSX-PBHICJAKSA-N 2 1 366.506 0.332 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420063722 489898659 /nfs/dbraw/zinc/89/86/59/489898659.db2.gz UZCBTHROHCTOND-UHFFFAOYSA-N 2 1 361.490 0.121 20 0 FCADMP CCN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420067705 489901574 /nfs/dbraw/zinc/90/15/74/489901574.db2.gz SUNITWAHYTWIPI-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420111943 489916814 /nfs/dbraw/zinc/91/68/14/489916814.db2.gz XFNUQVYYVHGLLN-APWZRJJASA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420111943 489916816 /nfs/dbraw/zinc/91/68/16/489916816.db2.gz XFNUQVYYVHGLLN-APWZRJJASA-N 2 1 368.522 0.452 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420131888 489923947 /nfs/dbraw/zinc/92/39/47/489923947.db2.gz XSMQZDONFDZKKX-HNNXBMFYSA-N 2 1 356.511 0.437 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000420133638 489924884 /nfs/dbraw/zinc/92/48/84/489924884.db2.gz ZESMVUPNYGFNDI-GJZGRUSLSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420138762 489926867 /nfs/dbraw/zinc/92/68/67/489926867.db2.gz NNOQZRNKGLMIOI-INMHGKMJSA-N 2 1 364.490 0.123 20 0 FCADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420145323 489929085 /nfs/dbraw/zinc/92/90/85/489929085.db2.gz OPNNOHFHRVQWJT-HRCADAONSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000420155048 489934274 /nfs/dbraw/zinc/93/42/74/489934274.db2.gz CYMKECDVEBDXFV-BZUAXINKSA-N 2 1 368.522 0.184 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1C[C@@H](C)O ZINC000420155048 489934277 /nfs/dbraw/zinc/93/42/77/489934277.db2.gz CYMKECDVEBDXFV-BZUAXINKSA-N 2 1 368.522 0.184 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571162828 491289225 /nfs/dbraw/zinc/28/92/25/491289225.db2.gz NXMOFYILYCFTTD-QGZVFWFLSA-N 2 1 361.490 0.887 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571162827 491289314 /nfs/dbraw/zinc/28/93/14/491289314.db2.gz NXMOFYILYCFTTD-KRWDZBQOSA-N 2 1 361.490 0.887 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420166791 489937401 /nfs/dbraw/zinc/93/74/01/489937401.db2.gz OLIQQHISSWALLM-CVEARBPZSA-N 2 1 366.506 0.062 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171086 489938866 /nfs/dbraw/zinc/93/88/66/489938866.db2.gz SRQNCPXIIJNIPU-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420173579 489939655 /nfs/dbraw/zinc/93/96/55/489939655.db2.gz XKHUUXZEYKVUKS-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420173579 489939657 /nfs/dbraw/zinc/93/96/57/489939657.db2.gz XKHUUXZEYKVUKS-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186419 489945353 /nfs/dbraw/zinc/94/53/53/489945353.db2.gz CLGXPVAPIOZYBA-YRXWBPOGSA-N 2 1 370.497 0.820 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000462032651 489952265 /nfs/dbraw/zinc/95/22/65/489952265.db2.gz RMMSCOMKZZWYTD-AWEZNQCLSA-N 2 1 363.462 0.588 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000462032651 489952268 /nfs/dbraw/zinc/95/22/68/489952268.db2.gz RMMSCOMKZZWYTD-AWEZNQCLSA-N 2 1 363.462 0.588 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798580 489959543 /nfs/dbraw/zinc/95/95/43/489959543.db2.gz KEBYXIOAWOOVSD-CVEARBPZSA-N 2 1 362.522 0.795 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(=O)[nH]c1=O ZINC000420318508 489962425 /nfs/dbraw/zinc/96/24/25/489962425.db2.gz PYVTWVKOGVUUNI-ZDUSSCGKSA-N 2 1 363.462 0.445 20 0 FCADMP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(=O)OC ZINC000420340108 489964704 /nfs/dbraw/zinc/96/47/04/489964704.db2.gz SPBUPCUPZALICC-JFOHDYCDSA-N 2 1 355.479 0.519 20 0 FCADMP CN(CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420347307 489965336 /nfs/dbraw/zinc/96/53/36/489965336.db2.gz GLUVIIQECDRLIT-LJQANCHMSA-N 2 1 359.518 0.609 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420347307 489965338 /nfs/dbraw/zinc/96/53/38/489965338.db2.gz GLUVIIQECDRLIT-LJQANCHMSA-N 2 1 359.518 0.609 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(Cl)cc1 ZINC000420345686 489965733 /nfs/dbraw/zinc/96/57/33/489965733.db2.gz BCDVDSMXLGSOTG-MRXNPFEDSA-N 2 1 366.893 0.815 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(Cl)cc1 ZINC000420345686 489965735 /nfs/dbraw/zinc/96/57/35/489965735.db2.gz BCDVDSMXLGSOTG-MRXNPFEDSA-N 2 1 366.893 0.815 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000556066054 491291809 /nfs/dbraw/zinc/29/18/09/491291809.db2.gz UFYXBBPNVLWLLB-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420384319 489969239 /nfs/dbraw/zinc/96/92/39/489969239.db2.gz GPVHQQJZLAMFPN-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420386552 489970579 /nfs/dbraw/zinc/97/05/79/489970579.db2.gz UZNIAVLXJVFCRA-PMPSAXMXSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420386552 489970580 /nfs/dbraw/zinc/97/05/80/489970580.db2.gz UZNIAVLXJVFCRA-PMPSAXMXSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420406302 489972150 /nfs/dbraw/zinc/97/21/50/489972150.db2.gz NMSUCMFCZCPYFY-OLZOCXBDSA-N 2 1 354.476 0.579 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000420771506 490021602 /nfs/dbraw/zinc/02/16/02/490021602.db2.gz RZWYCASAGHWORK-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000420771506 490021604 /nfs/dbraw/zinc/02/16/04/490021604.db2.gz RZWYCASAGHWORK-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897325 490029870 /nfs/dbraw/zinc/02/98/70/490029870.db2.gz CJHNNAAAADHIIE-SJORKVTESA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000420897325 490029874 /nfs/dbraw/zinc/02/98/74/490029874.db2.gz CJHNNAAAADHIIE-SJORKVTESA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000420897325 490029877 /nfs/dbraw/zinc/02/98/77/490029877.db2.gz CJHNNAAAADHIIE-SJORKVTESA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420906018 490030509 /nfs/dbraw/zinc/03/05/09/490030509.db2.gz RKVUYKVGUWISCY-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000420906018 490030513 /nfs/dbraw/zinc/03/05/13/490030513.db2.gz RKVUYKVGUWISCY-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000420906018 490030516 /nfs/dbraw/zinc/03/05/16/490030516.db2.gz RKVUYKVGUWISCY-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)C1 ZINC000478794114 490037553 /nfs/dbraw/zinc/03/75/53/490037553.db2.gz HGYZPKYFMUDJLO-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000378284458 490039976 /nfs/dbraw/zinc/03/99/76/490039976.db2.gz CDRFCDFPVJMINR-CQSZACIVSA-N 2 1 360.458 0.750 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000478821093 490040228 /nfs/dbraw/zinc/04/02/28/490040228.db2.gz HQAVJJQIIMGXON-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395845 490058955 /nfs/dbraw/zinc/05/89/55/490058955.db2.gz CDHAAGVIEPABTQ-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061660 490065638 /nfs/dbraw/zinc/06/56/38/490065638.db2.gz SAKXJMQSEHMMTF-GFCCVEGCSA-N 2 1 370.475 0.342 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061660 490065643 /nfs/dbraw/zinc/06/56/43/490065643.db2.gz SAKXJMQSEHMMTF-GFCCVEGCSA-N 2 1 370.475 0.342 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061661 490065990 /nfs/dbraw/zinc/06/59/90/490065990.db2.gz SAKXJMQSEHMMTF-LBPRGKRZSA-N 2 1 370.475 0.342 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061661 490065991 /nfs/dbraw/zinc/06/59/91/490065991.db2.gz SAKXJMQSEHMMTF-LBPRGKRZSA-N 2 1 370.475 0.342 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)NC1C[NH2+]C1 ZINC000571268870 491296831 /nfs/dbraw/zinc/29/68/31/491296831.db2.gz QWIPWJCYYHHBFL-MRXNPFEDSA-N 2 1 364.877 0.899 20 0 FCADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)NC1C[NH2+]C1 ZINC000571268870 491296832 /nfs/dbraw/zinc/29/68/32/491296832.db2.gz QWIPWJCYYHHBFL-MRXNPFEDSA-N 2 1 364.877 0.899 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798049 490068547 /nfs/dbraw/zinc/06/85/47/490068547.db2.gz ZVFDRMMWUIKRNT-IRTIRVBGSA-N 2 1 362.518 0.827 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798049 490068551 /nfs/dbraw/zinc/06/85/51/490068551.db2.gz ZVFDRMMWUIKRNT-IRTIRVBGSA-N 2 1 362.518 0.827 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798049 490068557 /nfs/dbraw/zinc/06/85/57/490068557.db2.gz ZVFDRMMWUIKRNT-IRTIRVBGSA-N 2 1 362.518 0.827 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000464955928 490073832 /nfs/dbraw/zinc/07/38/32/490073832.db2.gz ZMJDAJBOANARQZ-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000464955928 490073835 /nfs/dbraw/zinc/07/38/35/490073835.db2.gz ZMJDAJBOANARQZ-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000464955928 490073839 /nfs/dbraw/zinc/07/38/39/490073839.db2.gz ZMJDAJBOANARQZ-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000479209613 490074406 /nfs/dbraw/zinc/07/44/06/490074406.db2.gz YBBFUSSATVEJEH-UHFFFAOYSA-N 2 1 354.495 0.109 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000506321225 490080695 /nfs/dbraw/zinc/08/06/95/490080695.db2.gz KOPPIHSNKGYSIQ-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000506321225 490080697 /nfs/dbraw/zinc/08/06/97/490080697.db2.gz KOPPIHSNKGYSIQ-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000479337871 490083493 /nfs/dbraw/zinc/08/34/93/490083493.db2.gz RMSVNFCMSVKEAP-INIZCTEOSA-N 2 1 367.538 0.995 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545154306 490085602 /nfs/dbraw/zinc/08/56/02/490085602.db2.gz JNTCDUACUDGTCQ-FQEVSTJZSA-N 2 1 360.502 0.772 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000421704360 490099082 /nfs/dbraw/zinc/09/90/82/490099082.db2.gz ONVJOJNPFVUNIT-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704360 490099092 /nfs/dbraw/zinc/09/90/92/490099092.db2.gz ONVJOJNPFVUNIT-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704360 490099098 /nfs/dbraw/zinc/09/90/98/490099098.db2.gz ONVJOJNPFVUNIT-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[N@@H+](C)C1CC1 ZINC000520236976 490120969 /nfs/dbraw/zinc/12/09/69/490120969.db2.gz LAHAGKHQOUOKHE-AWEZNQCLSA-N 2 1 353.511 0.711 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(CC3(C)COC3)nn2)CC1 ZINC000545354444 490122685 /nfs/dbraw/zinc/12/26/85/490122685.db2.gz RYFCDNZJIRIFAW-UHFFFAOYSA-N 2 1 371.445 0.714 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000496829997 490128072 /nfs/dbraw/zinc/12/80/72/490128072.db2.gz IBLSCWUCJJGZKE-JKSUJKDBSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000496829997 490128077 /nfs/dbraw/zinc/12/80/77/490128077.db2.gz IBLSCWUCJJGZKE-JKSUJKDBSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000496829997 490128081 /nfs/dbraw/zinc/12/80/81/490128081.db2.gz IBLSCWUCJJGZKE-JKSUJKDBSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000496829997 490128087 /nfs/dbraw/zinc/12/80/87/490128087.db2.gz IBLSCWUCJJGZKE-JKSUJKDBSA-N 2 1 355.479 0.583 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000479995167 490147193 /nfs/dbraw/zinc/14/71/93/490147193.db2.gz VKGWVKPJROGALS-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465958219 490158914 /nfs/dbraw/zinc/15/89/14/490158914.db2.gz SINHICIFWODWLI-HZPDHXFCSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958219 490158921 /nfs/dbraw/zinc/15/89/21/490158921.db2.gz SINHICIFWODWLI-HZPDHXFCSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958219 490158928 /nfs/dbraw/zinc/15/89/28/490158928.db2.gz SINHICIFWODWLI-HZPDHXFCSA-N 2 1 353.511 0.557 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000507134567 490180355 /nfs/dbraw/zinc/18/03/55/490180355.db2.gz HHIOUXMVYUNVLG-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000507134567 490180365 /nfs/dbraw/zinc/18/03/65/490180365.db2.gz HHIOUXMVYUNVLG-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000507134567 490180371 /nfs/dbraw/zinc/18/03/71/490180371.db2.gz HHIOUXMVYUNVLG-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000571410321 491306024 /nfs/dbraw/zinc/30/60/24/491306024.db2.gz HXMPIEDXAFUGHP-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577752 490196936 /nfs/dbraw/zinc/19/69/36/490196936.db2.gz YXKQFOULKVCNRR-WMZOPIPTSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577752 490196942 /nfs/dbraw/zinc/19/69/42/490196942.db2.gz YXKQFOULKVCNRR-WMZOPIPTSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577752 490196948 /nfs/dbraw/zinc/19/69/48/490196948.db2.gz YXKQFOULKVCNRR-WMZOPIPTSA-N 2 1 367.538 0.158 20 0 FCADMP CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556297296 491308202 /nfs/dbraw/zinc/30/82/02/491308202.db2.gz AEJWXZVAOGLSPB-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000556297296 491308203 /nfs/dbraw/zinc/30/82/03/491308203.db2.gz AEJWXZVAOGLSPB-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387751 490228195 /nfs/dbraw/zinc/22/81/95/490228195.db2.gz UUGXYKMAQUEHHC-AEFFLSMTSA-N 2 1 371.522 0.321 20 0 FCADMP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387751 490228206 /nfs/dbraw/zinc/22/82/06/490228206.db2.gz UUGXYKMAQUEHHC-AEFFLSMTSA-N 2 1 371.522 0.321 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000521175800 490232163 /nfs/dbraw/zinc/23/21/63/490232163.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 1 359.518 0.980 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000521175800 490232165 /nfs/dbraw/zinc/23/21/65/490232165.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 1 359.518 0.980 20 0 FCADMP CN1CCN(C)[C@@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000521175800 490232167 /nfs/dbraw/zinc/23/21/67/490232167.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 1 359.518 0.980 20 0 FCADMP CN1CCN(C)[C@@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000521175800 490232168 /nfs/dbraw/zinc/23/21/68/490232168.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 1 359.518 0.980 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000521225923 490239528 /nfs/dbraw/zinc/23/95/28/490239528.db2.gz JHUJKTVAGYUIAL-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355201 491310770 /nfs/dbraw/zinc/31/07/70/491310770.db2.gz POJBVOHARGQIQI-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000556363066 491312075 /nfs/dbraw/zinc/31/20/75/491312075.db2.gz SASKFLRXNADZGZ-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000556363066 491312078 /nfs/dbraw/zinc/31/20/78/491312078.db2.gz SASKFLRXNADZGZ-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000556363066 491312079 /nfs/dbraw/zinc/31/20/79/491312079.db2.gz SASKFLRXNADZGZ-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@@H]1C ZINC000498240001 490275727 /nfs/dbraw/zinc/27/57/27/490275727.db2.gz PKVRTIFMLMYJDN-JYJNAYRXSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1C ZINC000498240001 490275729 /nfs/dbraw/zinc/27/57/29/490275729.db2.gz PKVRTIFMLMYJDN-JYJNAYRXSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1C ZINC000498240001 490275732 /nfs/dbraw/zinc/27/57/32/490275732.db2.gz PKVRTIFMLMYJDN-JYJNAYRXSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000521591430 490278397 /nfs/dbraw/zinc/27/83/97/490278397.db2.gz WMCFDJGNHLLYBW-BLNMRFBMSA-N 2 1 351.495 0.462 20 0 FCADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000521650923 490286625 /nfs/dbraw/zinc/28/66/25/490286625.db2.gz JKULZQWYCBUEQN-MRXNPFEDSA-N 2 1 366.506 0.348 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000521663882 490288012 /nfs/dbraw/zinc/28/80/12/490288012.db2.gz NZUFDDOYUKRNEA-OAHLLOKOSA-N 2 1 353.511 0.888 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC1CC[NH2+]CC1 ZINC000521841092 490301479 /nfs/dbraw/zinc/30/14/79/490301479.db2.gz VVWXFXWHBLDXAZ-UHFFFAOYSA-N 2 1 360.506 0.893 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000571483669 491311211 /nfs/dbraw/zinc/31/12/11/491311211.db2.gz JIMDIZMCDDTIOG-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000467663164 490328073 /nfs/dbraw/zinc/32/80/73/490328073.db2.gz DECLAZMUXMKIPL-HNNXBMFYSA-N 2 1 373.457 0.478 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000467663164 490328075 /nfs/dbraw/zinc/32/80/75/490328075.db2.gz DECLAZMUXMKIPL-HNNXBMFYSA-N 2 1 373.457 0.478 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000498850986 490353777 /nfs/dbraw/zinc/35/37/77/490353777.db2.gz COTMWADPFWJXRM-KRWDZBQOSA-N 2 1 350.507 0.993 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000422488597 490354441 /nfs/dbraw/zinc/35/44/41/490354441.db2.gz KLJPAZMQVBZIRT-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000411035442 490380088 /nfs/dbraw/zinc/38/00/88/490380088.db2.gz ZEQPLZFIXLSTOE-QGZVFWFLSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000411035442 490380092 /nfs/dbraw/zinc/38/00/92/490380092.db2.gz ZEQPLZFIXLSTOE-QGZVFWFLSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000411035442 490380099 /nfs/dbraw/zinc/38/00/99/490380099.db2.gz ZEQPLZFIXLSTOE-QGZVFWFLSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000411035442 490380105 /nfs/dbraw/zinc/38/01/05/490380105.db2.gz ZEQPLZFIXLSTOE-QGZVFWFLSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000411035442 490380110 /nfs/dbraw/zinc/38/01/10/490380110.db2.gz ZEQPLZFIXLSTOE-QGZVFWFLSA-N 2 1 369.554 0.269 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484276755 490406400 /nfs/dbraw/zinc/40/64/00/490406400.db2.gz ANRCETLZYAOWBB-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP COC(=O)COC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000449263793 490406667 /nfs/dbraw/zinc/40/66/67/490406667.db2.gz JUJMXIZRQAISBO-IHRRRGAJSA-N 2 1 369.441 0.627 20 0 FCADMP CN1CCO[C@@H](C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000468484205 490408112 /nfs/dbraw/zinc/40/81/12/490408112.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 1 360.502 0.812 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCO1 ZINC000499340572 490414805 /nfs/dbraw/zinc/41/48/05/490414805.db2.gz HBPZLAUQLGLQDC-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422625606 490432750 /nfs/dbraw/zinc/43/27/50/490432750.db2.gz BXFIQYAPNBTENS-MCIONIFRSA-N 2 1 368.503 0.968 20 0 FCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422631754 490434506 /nfs/dbraw/zinc/43/45/06/490434506.db2.gz FVTJYDSKXDBGSM-YCPHGPKFSA-N 2 1 362.474 0.472 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422631754 490434515 /nfs/dbraw/zinc/43/45/15/490434515.db2.gz FVTJYDSKXDBGSM-YCPHGPKFSA-N 2 1 362.474 0.472 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000422633592 490436227 /nfs/dbraw/zinc/43/62/27/490436227.db2.gz IODPJAKIBQLIJX-XLAORIBOSA-N 2 1 354.539 0.765 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)CC1=O ZINC000509636959 490445813 /nfs/dbraw/zinc/44/58/13/490445813.db2.gz VALJLQDTSQNJBB-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1=O ZINC000509636959 490445817 /nfs/dbraw/zinc/44/58/17/490445817.db2.gz VALJLQDTSQNJBB-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1=O ZINC000509636959 490445824 /nfs/dbraw/zinc/44/58/24/490445824.db2.gz VALJLQDTSQNJBB-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000509718518 490455168 /nfs/dbraw/zinc/45/51/68/490455168.db2.gz YQJUIIFHPRHNGX-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000509718518 490455172 /nfs/dbraw/zinc/45/51/72/490455172.db2.gz YQJUIIFHPRHNGX-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000509718518 490455175 /nfs/dbraw/zinc/45/51/75/490455175.db2.gz YQJUIIFHPRHNGX-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000484757561 490463966 /nfs/dbraw/zinc/46/39/66/490463966.db2.gz PBCMUVYCDGGYLT-XBVQOTNRSA-N 2 1 364.442 0.902 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000571786065 491329256 /nfs/dbraw/zinc/32/92/56/491329256.db2.gz UVVDSNMVZLPTJL-UHFFFAOYSA-N 2 1 374.485 0.413 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000523701178 490487539 /nfs/dbraw/zinc/48/75/39/490487539.db2.gz WPGMYKLOEQPXBQ-KRWDZBQOSA-N 2 1 355.527 0.018 20 0 FCADMP C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000523701178 490487545 /nfs/dbraw/zinc/48/75/45/490487545.db2.gz WPGMYKLOEQPXBQ-KRWDZBQOSA-N 2 1 355.527 0.018 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000523701178 490487551 /nfs/dbraw/zinc/48/75/51/490487551.db2.gz WPGMYKLOEQPXBQ-KRWDZBQOSA-N 2 1 355.527 0.018 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422893584 490492747 /nfs/dbraw/zinc/49/27/47/490492747.db2.gz AHYSBTJDPBQDTD-OAHLLOKOSA-N 2 1 354.495 0.143 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)CC[NH2+]CC1 ZINC000422982404 490510088 /nfs/dbraw/zinc/51/00/88/490510088.db2.gz WOZNAUWZTKCVKG-KRWDZBQOSA-N 3 1 354.539 0.925 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000510428298 490515065 /nfs/dbraw/zinc/51/50/65/490515065.db2.gz MDSJHDYWGXPZOZ-UHFFFAOYSA-N 2 1 360.568 0.806 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721783 490517171 /nfs/dbraw/zinc/51/71/71/490517171.db2.gz XYKFEJIZOONJCS-YSIASYRMSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721783 490517178 /nfs/dbraw/zinc/51/71/78/490517178.db2.gz XYKFEJIZOONJCS-YSIASYRMSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535721783 490517183 /nfs/dbraw/zinc/51/71/83/490517183.db2.gz XYKFEJIZOONJCS-YSIASYRMSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535721783 490517187 /nfs/dbraw/zinc/51/71/87/490517187.db2.gz XYKFEJIZOONJCS-YSIASYRMSA-N 2 1 372.513 0.782 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423034573 490525733 /nfs/dbraw/zinc/52/57/33/490525733.db2.gz IFIYIXHHGXROFP-NRFANRHFSA-N 2 1 370.497 0.585 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000423033814 490526346 /nfs/dbraw/zinc/52/63/46/490526346.db2.gz HCZYREQXPHPMIE-UHFFFAOYSA-N 2 1 358.486 0.571 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423039692 490527079 /nfs/dbraw/zinc/52/70/79/490527079.db2.gz QZUWRVLNFJLZTF-MJGOQNOKSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000423040063 490527153 /nfs/dbraw/zinc/52/71/53/490527153.db2.gz SJHMARQKMZKUGT-QGZVFWFLSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423040768 490529069 /nfs/dbraw/zinc/52/90/69/490529069.db2.gz VEFMNEDRBNCQCK-AEFFLSMTSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558354 490542599 /nfs/dbraw/zinc/54/25/99/490542599.db2.gz BVMHNBRECQCMKW-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558354 490542601 /nfs/dbraw/zinc/54/26/01/490542601.db2.gz BVMHNBRECQCMKW-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558354 490542605 /nfs/dbraw/zinc/54/26/05/490542605.db2.gz BVMHNBRECQCMKW-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)[nH+]1 ZINC000485597341 490546552 /nfs/dbraw/zinc/54/65/52/490546552.db2.gz FSZCAHPZUUPJHE-UHFFFAOYSA-N 2 1 359.474 0.685 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)[nH+]1 ZINC000485597341 490546559 /nfs/dbraw/zinc/54/65/59/490546559.db2.gz FSZCAHPZUUPJHE-UHFFFAOYSA-N 2 1 359.474 0.685 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000564914918 491335873 /nfs/dbraw/zinc/33/58/73/491335873.db2.gz ANHXRPHBADSEMJ-KFWWJZLASA-N 2 1 354.495 0.249 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000485809160 490560059 /nfs/dbraw/zinc/56/00/59/490560059.db2.gz BETNDNAUPKGVII-HNNXBMFYSA-N 2 1 371.445 0.955 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485805223 490560346 /nfs/dbraw/zinc/56/03/46/490560346.db2.gz LBWMBHMRYFOBGF-OWCLPIDISA-N 2 1 364.494 0.822 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000536218488 490561991 /nfs/dbraw/zinc/56/19/91/490561991.db2.gz BIJJQBZPAIJFKW-LJQANCHMSA-N 2 1 366.550 0.900 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000536218488 490561995 /nfs/dbraw/zinc/56/19/95/490561995.db2.gz BIJJQBZPAIJFKW-LJQANCHMSA-N 2 1 366.550 0.900 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000536218488 490561998 /nfs/dbraw/zinc/56/19/98/490561998.db2.gz BIJJQBZPAIJFKW-LJQANCHMSA-N 2 1 366.550 0.900 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214930 490571360 /nfs/dbraw/zinc/57/13/60/490571360.db2.gz GLRNUUWVVNMQBV-DOTOQJQBSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214930 490571363 /nfs/dbraw/zinc/57/13/63/490571363.db2.gz GLRNUUWVVNMQBV-DOTOQJQBSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214930 490571369 /nfs/dbraw/zinc/57/13/69/490571369.db2.gz GLRNUUWVVNMQBV-DOTOQJQBSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000525293437 490593997 /nfs/dbraw/zinc/59/39/97/490593997.db2.gz ZKCUWCGLFSTHCE-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000525293437 490594003 /nfs/dbraw/zinc/59/40/03/490594003.db2.gz ZKCUWCGLFSTHCE-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000486214823 490599032 /nfs/dbraw/zinc/59/90/32/490599032.db2.gz LZLQKPBSCVNLQO-WMZOPIPTSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000486214823 490599036 /nfs/dbraw/zinc/59/90/36/490599036.db2.gz LZLQKPBSCVNLQO-WMZOPIPTSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228735 490599042 /nfs/dbraw/zinc/59/90/42/490599042.db2.gz KAFRCAFVAQSWRX-DOTOQJQBSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228735 490599043 /nfs/dbraw/zinc/59/90/43/490599043.db2.gz KAFRCAFVAQSWRX-DOTOQJQBSA-N 2 1 350.507 0.587 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512992 490610665 /nfs/dbraw/zinc/61/06/65/490610665.db2.gz UGPDNCUKXCDXFY-IBGZPJMESA-N 2 1 364.490 0.501 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512992 490610669 /nfs/dbraw/zinc/61/06/69/490610669.db2.gz UGPDNCUKXCDXFY-IBGZPJMESA-N 2 1 364.490 0.501 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512992 490610672 /nfs/dbraw/zinc/61/06/72/490610672.db2.gz UGPDNCUKXCDXFY-IBGZPJMESA-N 2 1 364.490 0.501 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512993 490610795 /nfs/dbraw/zinc/61/07/95/490610795.db2.gz UGPDNCUKXCDXFY-LJQANCHMSA-N 2 1 364.490 0.501 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512993 490610800 /nfs/dbraw/zinc/61/08/00/490610800.db2.gz UGPDNCUKXCDXFY-LJQANCHMSA-N 2 1 364.490 0.501 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512993 490610803 /nfs/dbraw/zinc/61/08/03/490610803.db2.gz UGPDNCUKXCDXFY-LJQANCHMSA-N 2 1 364.490 0.501 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000549985690 490617298 /nfs/dbraw/zinc/61/72/98/490617298.db2.gz MFDBRBPZMSZTSZ-ZBFHGGJFSA-N 2 1 362.474 0.577 20 0 FCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000501614966 490624518 /nfs/dbraw/zinc/62/45/18/490624518.db2.gz PXFAXMZXHVVSAN-SFHVURJKSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000501614966 490624524 /nfs/dbraw/zinc/62/45/24/490624524.db2.gz PXFAXMZXHVVSAN-SFHVURJKSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000536933947 490625453 /nfs/dbraw/zinc/62/54/53/490625453.db2.gz SKQCAFOETOCCNE-KZNAEPCWSA-N 2 1 366.506 0.834 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640401 490629046 /nfs/dbraw/zinc/62/90/46/490629046.db2.gz OZRAZTRSCANDNO-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640401 490629052 /nfs/dbraw/zinc/62/90/52/490629052.db2.gz OZRAZTRSCANDNO-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640401 490629055 /nfs/dbraw/zinc/62/90/55/490629055.db2.gz OZRAZTRSCANDNO-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000486475794 490636789 /nfs/dbraw/zinc/63/67/89/490636789.db2.gz BEQSEQRTOAFOTR-HZPDHXFCSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000486475794 490636793 /nfs/dbraw/zinc/63/67/93/490636793.db2.gz BEQSEQRTOAFOTR-HZPDHXFCSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000486475794 490636794 /nfs/dbraw/zinc/63/67/94/490636794.db2.gz BEQSEQRTOAFOTR-HZPDHXFCSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000486504423 490640832 /nfs/dbraw/zinc/64/08/32/490640832.db2.gz DHTYZDYRWDWHPI-INIZCTEOSA-N 2 1 353.511 0.521 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000486504423 490640837 /nfs/dbraw/zinc/64/08/37/490640837.db2.gz DHTYZDYRWDWHPI-INIZCTEOSA-N 2 1 353.511 0.521 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550294290 490655896 /nfs/dbraw/zinc/65/58/96/490655896.db2.gz CTYUWPZWUQYYHF-GOEBONIOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000572025010 491343652 /nfs/dbraw/zinc/34/36/52/491343652.db2.gz LUTOHLCVVPHGAJ-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771163 490670142 /nfs/dbraw/zinc/67/01/42/490670142.db2.gz KWVOUHBZDWWALI-HOCLYGCPSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@H]1C ZINC000486992136 490685110 /nfs/dbraw/zinc/68/51/10/490685110.db2.gz YRMMGGIEERDYOK-ZXLDYLNASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000486992136 490685113 /nfs/dbraw/zinc/68/51/13/490685113.db2.gz YRMMGGIEERDYOK-ZXLDYLNASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000486992136 490685117 /nfs/dbraw/zinc/68/51/17/490685117.db2.gz YRMMGGIEERDYOK-ZXLDYLNASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000512529519 490687304 /nfs/dbraw/zinc/68/73/04/490687304.db2.gz UFEZQVRGPMKGON-OAHLLOKOSA-N 2 1 350.463 0.863 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC000572071580 491347012 /nfs/dbraw/zinc/34/70/12/491347012.db2.gz PTJMTECCHQXURQ-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043796 491347348 /nfs/dbraw/zinc/34/73/48/491347348.db2.gz IPKBIEKMSWWSQH-CABCVRRESA-N 2 1 358.450 0.303 20 0 FCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043796 491347350 /nfs/dbraw/zinc/34/73/50/491347350.db2.gz IPKBIEKMSWWSQH-CABCVRRESA-N 2 1 358.450 0.303 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000512819731 490700692 /nfs/dbraw/zinc/70/06/92/490700692.db2.gz GXVORJYVHQETCO-KRWDZBQOSA-N 2 1 355.527 0.112 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1C ZINC000487465221 490714165 /nfs/dbraw/zinc/71/41/65/490714165.db2.gz BREUIQHHFXINRQ-GOSISDBHSA-N 2 1 369.554 0.358 20 0 FCADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000557011097 491349350 /nfs/dbraw/zinc/34/93/50/491349350.db2.gz BAUFZTACWUEDNP-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000502937481 490731180 /nfs/dbraw/zinc/73/11/80/490731180.db2.gz VWCUFPQMEUHMFS-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000502937481 490731181 /nfs/dbraw/zinc/73/11/81/490731181.db2.gz VWCUFPQMEUHMFS-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513476035 490732727 /nfs/dbraw/zinc/73/27/27/490732727.db2.gz MMKGBFUJNMEZHA-CABCVRRESA-N 2 1 370.538 0.383 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513476035 490732730 /nfs/dbraw/zinc/73/27/30/490732730.db2.gz MMKGBFUJNMEZHA-CABCVRRESA-N 2 1 370.538 0.383 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527660602 490752956 /nfs/dbraw/zinc/75/29/56/490752956.db2.gz LOMDPJDFYRDELB-KRWDZBQOSA-N 2 1 365.522 0.903 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527660602 490752958 /nfs/dbraw/zinc/75/29/58/490752958.db2.gz LOMDPJDFYRDELB-KRWDZBQOSA-N 2 1 365.522 0.903 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000513927882 490754335 /nfs/dbraw/zinc/75/43/35/490754335.db2.gz NCNIIWKHLHGNNE-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000488618716 490767709 /nfs/dbraw/zinc/76/77/09/490767709.db2.gz GQXDFTZXZSJZDF-APWZRJJASA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488618716 490767711 /nfs/dbraw/zinc/76/77/11/490767711.db2.gz GQXDFTZXZSJZDF-APWZRJJASA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000488618716 490767713 /nfs/dbraw/zinc/76/77/13/490767713.db2.gz GQXDFTZXZSJZDF-APWZRJJASA-N 2 1 365.522 0.666 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000539226950 490771489 /nfs/dbraw/zinc/77/14/89/490771489.db2.gz MCWLAPCOQHVFCW-OAHLLOKOSA-N 2 1 370.494 0.376 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000539226950 490771495 /nfs/dbraw/zinc/77/14/95/490771495.db2.gz MCWLAPCOQHVFCW-OAHLLOKOSA-N 2 1 370.494 0.376 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121549 491354535 /nfs/dbraw/zinc/35/45/35/491354535.db2.gz VPMNGNBRZQYZHV-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000514663646 490779254 /nfs/dbraw/zinc/77/92/54/490779254.db2.gz NDMGMJSVKMXPJC-HUUCEWRRSA-N 2 1 356.511 0.495 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000528176011 490782411 /nfs/dbraw/zinc/78/24/11/490782411.db2.gz FIYDQTJDZFNLDW-QRQLOZEOSA-N 2 1 374.485 0.994 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000528176011 490782414 /nfs/dbraw/zinc/78/24/14/490782414.db2.gz FIYDQTJDZFNLDW-QRQLOZEOSA-N 2 1 374.485 0.994 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000539475907 490784433 /nfs/dbraw/zinc/78/44/33/490784433.db2.gz SPJAKSAQVAZCPH-UHFFFAOYSA-N 2 1 351.495 0.490 20 0 FCADMP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000514859392 490793800 /nfs/dbraw/zinc/79/38/00/490793800.db2.gz OKBFUOZDEQAPSV-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000514859392 490793803 /nfs/dbraw/zinc/79/38/03/490793803.db2.gz OKBFUOZDEQAPSV-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049731 490804970 /nfs/dbraw/zinc/80/49/70/490804970.db2.gz PMRYZPONRZJHCD-INIZCTEOSA-N 2 1 350.507 0.969 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(=O)NC3CC3)CC2)CC1 ZINC000565174252 491357389 /nfs/dbraw/zinc/35/73/89/491357389.db2.gz RPDSWLLUDZDEGG-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCC(=O)NC(N)=O)CC2)C[C@@H](C)O1 ZINC000540245191 490811277 /nfs/dbraw/zinc/81/12/77/490811277.db2.gz NHGLMLYDJVFRMT-HUUCEWRRSA-N 2 1 370.494 0.552 20 0 FCADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000515525850 490830529 /nfs/dbraw/zinc/83/05/29/490830529.db2.gz KTLUIEROPLHNKX-OAHLLOKOSA-N 2 1 361.446 0.323 20 0 FCADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000515525850 490830531 /nfs/dbraw/zinc/83/05/31/490830531.db2.gz KTLUIEROPLHNKX-OAHLLOKOSA-N 2 1 361.446 0.323 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000557193853 491358836 /nfs/dbraw/zinc/35/88/36/491358836.db2.gz SAIOFCULGLVUHV-BBWFWOEESA-N 3 1 355.527 0.408 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872192 490842488 /nfs/dbraw/zinc/84/24/88/490842488.db2.gz VCJUAXOPWCUSIX-SPUZQDLCSA-N 2 1 371.485 0.603 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000557245888 491361673 /nfs/dbraw/zinc/36/16/73/491361673.db2.gz GLVRZIUCEQESQB-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000557245888 491361675 /nfs/dbraw/zinc/36/16/75/491361675.db2.gz GLVRZIUCEQESQB-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529376754 490857666 /nfs/dbraw/zinc/85/76/66/490857666.db2.gz SJUPGRRMJHHZBI-SOLBZPMBSA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[NH+](C)CC(=O)Nc1nn(C)cc1CNC(=O)C[N@H+](C)C(C)C ZINC000541562960 490866171 /nfs/dbraw/zinc/86/61/71/490866171.db2.gz BKXRMKUBZXYWOX-UHFFFAOYSA-N 2 1 352.483 0.655 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCc1cn(C)nc1NC(=O)C[N@H+](C)C(C)C ZINC000541562960 490866173 /nfs/dbraw/zinc/86/61/73/490866173.db2.gz BKXRMKUBZXYWOX-UHFFFAOYSA-N 2 1 352.483 0.655 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCc1cn(C)nc1NC(=O)C[N@@H+](C)C(C)C ZINC000541562960 490866174 /nfs/dbraw/zinc/86/61/74/490866174.db2.gz BKXRMKUBZXYWOX-UHFFFAOYSA-N 2 1 352.483 0.655 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000557261486 491363426 /nfs/dbraw/zinc/36/34/26/491363426.db2.gz MBHXSJPBZAQEGB-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000572316591 491362706 /nfs/dbraw/zinc/36/27/06/491362706.db2.gz SEXGRSRFUVBKAY-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234146 491362768 /nfs/dbraw/zinc/36/27/68/491362768.db2.gz QXUZNDFUJDXKTI-KBPBESRZSA-N 2 1 355.398 0.549 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234146 491362771 /nfs/dbraw/zinc/36/27/71/491362771.db2.gz QXUZNDFUJDXKTI-KBPBESRZSA-N 2 1 355.398 0.549 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000516591851 490869908 /nfs/dbraw/zinc/86/99/08/490869908.db2.gz BLRBMMXFHONBHK-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000516856189 490880706 /nfs/dbraw/zinc/88/07/06/490880706.db2.gz FZUIGXSSPNVOIC-HUUCEWRRSA-N 2 1 367.519 0.406 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000542659331 490903541 /nfs/dbraw/zinc/90/35/41/490903541.db2.gz KUYKKYXMWSWVTA-BZSNNMDCSA-N 2 1 354.539 0.876 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000542659331 490903544 /nfs/dbraw/zinc/90/35/44/490903544.db2.gz KUYKKYXMWSWVTA-BZSNNMDCSA-N 2 1 354.539 0.876 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000517918509 490924603 /nfs/dbraw/zinc/92/46/03/490924603.db2.gz VBJDCIXAHGSBFE-DOTOQJQBSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000518225208 490933693 /nfs/dbraw/zinc/93/36/93/490933693.db2.gz HYEGZOSHSMJQSX-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000557288881 491365495 /nfs/dbraw/zinc/36/54/95/491365495.db2.gz ROJNKOOMRBUYEC-NXHRZFHOSA-N 2 1 358.486 0.820 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC000531201044 490945730 /nfs/dbraw/zinc/94/57/30/490945730.db2.gz OOUDYWFCWMIGDB-AWEZNQCLSA-N 2 1 364.494 0.786 20 0 FCADMP CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000518979216 490957173 /nfs/dbraw/zinc/95/71/73/490957173.db2.gz CHMZPYYTBJNTKZ-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000531681032 490970860 /nfs/dbraw/zinc/97/08/60/490970860.db2.gz RMXJISKEGJMHSX-JKSUJKDBSA-N 2 1 354.495 0.386 20 0 FCADMP CCOc1ccnc(N2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000519411851 490971392 /nfs/dbraw/zinc/97/13/92/490971392.db2.gz WSFNQKFBHBVOKS-UHFFFAOYSA-N 2 1 362.478 0.209 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000557318967 491367778 /nfs/dbraw/zinc/36/77/78/491367778.db2.gz JXXQGMWWDCEZIU-UHFFFAOYSA-N 2 1 358.486 0.837 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](CO)C3)CC2)CC1 ZINC000519612345 490979454 /nfs/dbraw/zinc/97/94/54/490979454.db2.gz LUNABBZHCXAPRH-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000519639640 490981154 /nfs/dbraw/zinc/98/11/54/490981154.db2.gz JPQNCPSDVCWQQY-QGZVFWFLSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000532386653 490992121 /nfs/dbraw/zinc/99/21/21/490992121.db2.gz FTVJYSVCONAXSZ-UHFFFAOYSA-N 2 1 352.483 0.521 20 0 FCADMP Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000532433817 490992980 /nfs/dbraw/zinc/99/29/80/490992980.db2.gz YGXLAEYBKUCSKP-UHFFFAOYSA-N 2 1 350.467 0.600 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000569570600 491168951 /nfs/dbraw/zinc/16/89/51/491168951.db2.gz UJOSKOMFDINRNY-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000569570600 491168953 /nfs/dbraw/zinc/16/89/53/491168953.db2.gz UJOSKOMFDINRNY-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)cn2)CC1 ZINC000572413211 491368713 /nfs/dbraw/zinc/36/87/13/491368713.db2.gz SBAXQLKVUVJVIL-SOLBZPMBSA-N 2 1 374.489 0.144 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)cn2)CC1 ZINC000572413209 491368855 /nfs/dbraw/zinc/36/88/55/491368855.db2.gz SBAXQLKVUVJVIL-NUJGCVRESA-N 2 1 374.489 0.144 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000565372716 491373109 /nfs/dbraw/zinc/37/31/09/491373109.db2.gz NDRMRMZTRJYIEG-OLMNPRSZSA-N 2 1 371.485 0.387 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000557485794 491376935 /nfs/dbraw/zinc/37/69/35/491376935.db2.gz MFOSLZFAFHCPFJ-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000557485793 491376952 /nfs/dbraw/zinc/37/69/52/491376952.db2.gz MFOSLZFAFHCPFJ-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000572585437 491380099 /nfs/dbraw/zinc/38/00/99/491380099.db2.gz MDIRPJFHZVDEIN-DLBZAZTESA-N 2 1 359.474 0.287 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561015 491383299 /nfs/dbraw/zinc/38/32/99/491383299.db2.gz DNQPPJJBSLNGMW-HOCLYGCPSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000557561154 491383354 /nfs/dbraw/zinc/38/33/54/491383354.db2.gz FJZZNFNNKZLGDH-OAHLLOKOSA-N 2 1 372.513 0.801 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000565643844 491390319 /nfs/dbraw/zinc/39/03/19/491390319.db2.gz HQUQSUWDEYDUNI-HZPDHXFCSA-N 2 1 359.474 0.743 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000565643844 491390321 /nfs/dbraw/zinc/39/03/21/491390321.db2.gz HQUQSUWDEYDUNI-HZPDHXFCSA-N 2 1 359.474 0.743 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000572785926 491393675 /nfs/dbraw/zinc/39/36/75/491393675.db2.gz FBNGNZPKRZOILJ-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000572785926 491393677 /nfs/dbraw/zinc/39/36/77/491393677.db2.gz FBNGNZPKRZOILJ-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000565904056 491406979 /nfs/dbraw/zinc/40/69/79/491406979.db2.gz BEUKKQZCJGJVAU-RDJZCZTQSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000573089761 491411981 /nfs/dbraw/zinc/41/19/81/491411981.db2.gz RXTXSNICSNQLFI-OAHLLOKOSA-N 2 1 364.465 0.648 20 0 FCADMP C[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000573089759 491412104 /nfs/dbraw/zinc/41/21/04/491412104.db2.gz RXTXSNICSNQLFI-HNNXBMFYSA-N 2 1 364.465 0.648 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000573099482 491412558 /nfs/dbraw/zinc/41/25/58/491412558.db2.gz SQBNJKYEYDZKEZ-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000573249846 491422496 /nfs/dbraw/zinc/42/24/96/491422496.db2.gz HHSPURSXJOPOLF-CYBMUJFWSA-N 2 1 365.478 0.029 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000573249846 491422497 /nfs/dbraw/zinc/42/24/97/491422497.db2.gz HHSPURSXJOPOLF-CYBMUJFWSA-N 2 1 365.478 0.029 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373081 493342447 /nfs/dbraw/zinc/34/24/47/493342447.db2.gz YBKLACKYESBEIP-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668373081 493342448 /nfs/dbraw/zinc/34/24/48/493342448.db2.gz YBKLACKYESBEIP-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668373081 493342450 /nfs/dbraw/zinc/34/24/50/493342450.db2.gz YBKLACKYESBEIP-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000566296302 491433463 /nfs/dbraw/zinc/43/34/63/491433463.db2.gz CQZMIGXUODIASS-SFHVURJKSA-N 2 1 361.490 0.024 20 0 FCADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000566296318 491433480 /nfs/dbraw/zinc/43/34/80/491433480.db2.gz FNUVGMGXHYEUBE-AWEZNQCLSA-N 2 1 364.446 0.666 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348239 491438292 /nfs/dbraw/zinc/43/82/92/491438292.db2.gz QZPBJIYWTLKQFN-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)CC2 ZINC000573616272 491444327 /nfs/dbraw/zinc/44/43/27/491444327.db2.gz WSZRUZCNCBPQPO-AWEZNQCLSA-N 2 1 373.461 0.267 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1C[NH2+]C1 ZINC000573799831 491455647 /nfs/dbraw/zinc/45/56/47/491455647.db2.gz FJXFAAMWVQDFCG-UBHSHLNASA-N 2 1 350.442 0.431 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566728449 491462704 /nfs/dbraw/zinc/46/27/04/491462704.db2.gz ZJHPLIWSKRBSAI-CYBMUJFWSA-N 2 1 370.375 0.484 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566728449 491462706 /nfs/dbraw/zinc/46/27/06/491462706.db2.gz ZJHPLIWSKRBSAI-CYBMUJFWSA-N 2 1 370.375 0.484 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559327744 491464514 /nfs/dbraw/zinc/46/45/14/491464514.db2.gz DUTCXGIUFHWVAR-UHFFFAOYSA-N 2 1 356.511 0.496 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000559330656 491465240 /nfs/dbraw/zinc/46/52/40/491465240.db2.gz HSRSKXQJOIXPSI-UHFFFAOYSA-N 2 1 354.495 0.159 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000573960056 491465499 /nfs/dbraw/zinc/46/54/99/491465499.db2.gz ZOXCLBIWMQWEAS-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000573960056 491465501 /nfs/dbraw/zinc/46/55/01/491465501.db2.gz ZOXCLBIWMQWEAS-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000573960056 491465504 /nfs/dbraw/zinc/46/55/04/491465504.db2.gz ZOXCLBIWMQWEAS-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP COC[C@]1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000566852658 491470710 /nfs/dbraw/zinc/47/07/10/491470710.db2.gz KTYCYXBNUJDTCR-FQEVSTJZSA-N 2 1 374.485 0.568 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000559439702 491472477 /nfs/dbraw/zinc/47/24/77/491472477.db2.gz MDDGZFBTNXGRGJ-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000559439702 491472478 /nfs/dbraw/zinc/47/24/78/491472478.db2.gz MDDGZFBTNXGRGJ-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000559439702 491472479 /nfs/dbraw/zinc/47/24/79/491472479.db2.gz MDDGZFBTNXGRGJ-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150767 491477317 /nfs/dbraw/zinc/47/73/17/491477317.db2.gz GAPROAOESGNZDY-RBUKOAKNSA-N 2 1 371.485 0.731 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000566987477 491479591 /nfs/dbraw/zinc/47/95/91/491479591.db2.gz YBBZJRSDKAQEHY-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000566987477 491479592 /nfs/dbraw/zinc/47/95/92/491479592.db2.gz YBBZJRSDKAQEHY-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000566987477 491479593 /nfs/dbraw/zinc/47/95/93/491479593.db2.gz YBBZJRSDKAQEHY-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000559558192 491481707 /nfs/dbraw/zinc/48/17/07/491481707.db2.gz ZEHYGUOQUWWGOU-UHFFFAOYSA-N 2 1 356.536 0.388 20 0 FCADMP C[C@@H](c1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000574274378 491485369 /nfs/dbraw/zinc/48/53/69/491485369.db2.gz FDJNQNIEHLSWNB-WMLDXEAASA-N 2 1 360.458 0.887 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368562 493341511 /nfs/dbraw/zinc/34/15/11/493341511.db2.gz BNLRTJXIJUEMLX-MSOLQXFVSA-N 2 1 360.502 0.876 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124628 491487365 /nfs/dbraw/zinc/48/73/65/491487365.db2.gz NQSLKSYSHHHHCI-OKZBNKHCSA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124628 491487366 /nfs/dbraw/zinc/48/73/66/491487366.db2.gz NQSLKSYSHHHHCI-OKZBNKHCSA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124628 491487368 /nfs/dbraw/zinc/48/73/68/491487368.db2.gz NQSLKSYSHHHHCI-OKZBNKHCSA-N 2 1 359.470 0.805 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000567177109 491490429 /nfs/dbraw/zinc/49/04/29/491490429.db2.gz ZUIKGTHULWWJPW-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000567207300 491492283 /nfs/dbraw/zinc/49/22/83/491492283.db2.gz KPMSYAJFVHPAAL-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@@H+]1CCc2sccc2C1 ZINC000574383930 491492626 /nfs/dbraw/zinc/49/26/26/491492626.db2.gz VEQUFTQQWNUHPU-ZFWWWQNUSA-N 2 1 351.520 0.698 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[N@H+]1CCc2sccc2C1 ZINC000574383930 491492629 /nfs/dbraw/zinc/49/26/29/491492629.db2.gz VEQUFTQQWNUHPU-ZFWWWQNUSA-N 2 1 351.520 0.698 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000559744774 491494921 /nfs/dbraw/zinc/49/49/21/491494921.db2.gz CNRUTNLCDYFDIM-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000559760932 491496856 /nfs/dbraw/zinc/49/68/56/491496856.db2.gz SFYGGNMAUGYURV-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000559760932 491496858 /nfs/dbraw/zinc/49/68/58/491496858.db2.gz SFYGGNMAUGYURV-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000559760932 491496862 /nfs/dbraw/zinc/49/68/62/491496862.db2.gz SFYGGNMAUGYURV-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1cc(N2CCC(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000574504213 491501197 /nfs/dbraw/zinc/50/11/97/491501197.db2.gz VPEFJJRTZLHMFL-INIZCTEOSA-N 2 1 361.494 0.347 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000574577258 491506564 /nfs/dbraw/zinc/50/65/64/491506564.db2.gz PQHUJTODZKSHPM-HNNXBMFYSA-N 2 1 361.490 0.813 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000567455376 491507287 /nfs/dbraw/zinc/50/72/87/491507287.db2.gz JRDUSCAHYPHHDW-KBPBESRZSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000567455376 491507289 /nfs/dbraw/zinc/50/72/89/491507289.db2.gz JRDUSCAHYPHHDW-KBPBESRZSA-N 2 1 364.515 0.808 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559903916 491509335 /nfs/dbraw/zinc/50/93/35/491509335.db2.gz OAGKJQCSNDWDKO-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567581239 491515308 /nfs/dbraw/zinc/51/53/08/491515308.db2.gz JUUOFHURJAZMKH-RCCFBDPRSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567581239 491515309 /nfs/dbraw/zinc/51/53/09/491515309.db2.gz JUUOFHURJAZMKH-RCCFBDPRSA-N 2 1 368.522 0.776 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560021428 491515689 /nfs/dbraw/zinc/51/56/89/491515689.db2.gz AFDNCNNAWCTCLW-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000574907706 491527270 /nfs/dbraw/zinc/52/72/70/491527270.db2.gz GJLFIRSLGQOIMI-QGZVFWFLSA-N 2 1 359.474 0.931 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000574907706 491527271 /nfs/dbraw/zinc/52/72/71/491527271.db2.gz GJLFIRSLGQOIMI-QGZVFWFLSA-N 2 1 359.474 0.931 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000567789004 491529802 /nfs/dbraw/zinc/52/98/02/491529802.db2.gz GFWPIBODZCFMIU-QLFBSQMISA-N 2 1 364.494 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000567789004 491529805 /nfs/dbraw/zinc/52/98/05/491529805.db2.gz GFWPIBODZCFMIU-QLFBSQMISA-N 2 1 364.494 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000567815065 491531489 /nfs/dbraw/zinc/53/14/89/491531489.db2.gz VFAMNSGTDOGQAX-MEDUHNTESA-N 2 1 356.829 0.663 20 0 FCADMP COC[C@@]1(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000567836328 491533268 /nfs/dbraw/zinc/53/32/68/491533268.db2.gz SBAUHVVWLSFQDH-ICSRJNTNSA-N 2 1 360.502 0.860 20 0 FCADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567870531 491536281 /nfs/dbraw/zinc/53/62/81/491536281.db2.gz GBSXBUSNMAVWJV-INIZCTEOSA-N 2 1 363.506 0.752 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000567928241 491541598 /nfs/dbraw/zinc/54/15/98/491541598.db2.gz JLACXLJWSDZFPR-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1=O ZINC000560596921 491546590 /nfs/dbraw/zinc/54/65/90/491546590.db2.gz YWTGALVHYWTKMG-LUKYLMHMSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000568009018 491547200 /nfs/dbraw/zinc/54/72/00/491547200.db2.gz SXCVVWSPHBISML-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000568009020 491547232 /nfs/dbraw/zinc/54/72/32/491547232.db2.gz SXCVVWSPHBISML-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1=O ZINC000560835338 491559629 /nfs/dbraw/zinc/55/96/29/491559629.db2.gz QXTPVHADQCBWKI-RBUKOAKNSA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1=O ZINC000560835338 491559631 /nfs/dbraw/zinc/55/96/31/491559631.db2.gz QXTPVHADQCBWKI-RBUKOAKNSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887744 491562629 /nfs/dbraw/zinc/56/26/29/491562629.db2.gz WODDRTDRMVPGRF-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887744 491562631 /nfs/dbraw/zinc/56/26/31/491562631.db2.gz WODDRTDRMVPGRF-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000568252668 491562781 /nfs/dbraw/zinc/56/27/81/491562781.db2.gz DOYUFBGOZLMGIE-BBWFWOEESA-N 2 1 371.485 0.624 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000568292600 491567415 /nfs/dbraw/zinc/56/74/15/491567415.db2.gz RGLCMDJPNMRUFV-QGZVFWFLSA-N 2 1 364.490 0.619 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000560983731 491568512 /nfs/dbraw/zinc/56/85/12/491568512.db2.gz ACDNXVZFSFYBEK-DZFIZOCASA-N 2 1 371.485 0.733 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012533 491570365 /nfs/dbraw/zinc/57/03/65/491570365.db2.gz IBTKYDNUUDUEMS-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012533 491570367 /nfs/dbraw/zinc/57/03/67/491570367.db2.gz IBTKYDNUUDUEMS-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012533 491570370 /nfs/dbraw/zinc/57/03/70/491570370.db2.gz IBTKYDNUUDUEMS-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012533 491570372 /nfs/dbraw/zinc/57/03/72/491570372.db2.gz IBTKYDNUUDUEMS-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000568388256 491573693 /nfs/dbraw/zinc/57/36/93/491573693.db2.gz MMUCFEPMMLOXLB-UHFFFAOYSA-N 2 1 373.501 0.841 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C(=O)OC)C3)CC2)CC1 ZINC000576000807 491575025 /nfs/dbraw/zinc/57/50/25/491575025.db2.gz LDZFXFQABIUHAR-KRWDZBQOSA-N 2 1 367.490 0.583 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000576037049 491577376 /nfs/dbraw/zinc/57/73/76/491577376.db2.gz IXMKZPQLZQKCIA-MRXNPFEDSA-N 2 1 363.510 0.034 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136143 491578045 /nfs/dbraw/zinc/57/80/45/491578045.db2.gz AUKQWAQOOXONED-ZACQAIPSSA-N 2 1 363.506 0.467 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000568501507 491580603 /nfs/dbraw/zinc/58/06/03/491580603.db2.gz PBNBKMJSSDLTEI-PBHICJAKSA-N 2 1 358.442 0.938 20 0 FCADMP CC1(C)CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000561203955 491582719 /nfs/dbraw/zinc/58/27/19/491582719.db2.gz WANYKZQDHWHNNC-UHFFFAOYSA-N 2 1 373.501 0.724 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000568552330 491586086 /nfs/dbraw/zinc/58/60/86/491586086.db2.gz WAGXQDGAEVICMB-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000568552330 491586090 /nfs/dbraw/zinc/58/60/90/491586090.db2.gz WAGXQDGAEVICMB-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000584396557 491586514 /nfs/dbraw/zinc/58/65/14/491586514.db2.gz RIJFJTWHEGADIX-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000576146377 491586691 /nfs/dbraw/zinc/58/66/91/491586691.db2.gz VKXSBOYNIWJNHY-JKIFEVAISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584411770 491588602 /nfs/dbraw/zinc/58/86/02/491588602.db2.gz QLYNFHMCRMQHHO-KNPMLCFXSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584411770 491588604 /nfs/dbraw/zinc/58/86/04/491588604.db2.gz QLYNFHMCRMQHHO-KNPMLCFXSA-N 2 1 366.487 0.720 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000584496527 491597573 /nfs/dbraw/zinc/59/75/73/491597573.db2.gz HSNFNYJXSYUNMH-CVEARBPZSA-N 2 1 350.507 0.943 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000584554932 491603606 /nfs/dbraw/zinc/60/36/06/491603606.db2.gz GXSAXNUVPUQRGO-CAOSSQGBSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000584554932 491603610 /nfs/dbraw/zinc/60/36/10/491603610.db2.gz GXSAXNUVPUQRGO-CAOSSQGBSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000584554932 491603612 /nfs/dbraw/zinc/60/36/12/491603612.db2.gz GXSAXNUVPUQRGO-CAOSSQGBSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000584554934 491604109 /nfs/dbraw/zinc/60/41/09/491604109.db2.gz GXSAXNUVPUQRGO-LVQVYYBASA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000584554934 491604113 /nfs/dbraw/zinc/60/41/13/491604113.db2.gz GXSAXNUVPUQRGO-LVQVYYBASA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000584554934 491604117 /nfs/dbraw/zinc/60/41/17/491604117.db2.gz GXSAXNUVPUQRGO-LVQVYYBASA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@]1(n2cc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)cn2)CCS(=O)(=O)C1 ZINC000577274398 491608524 /nfs/dbraw/zinc/60/85/24/491608524.db2.gz IKDINRKRNZRXCB-UONOGXRCSA-N 2 1 362.446 0.751 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000568906558 491618792 /nfs/dbraw/zinc/61/87/92/491618792.db2.gz DZFIQFYEQODPBZ-SFHVURJKSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568906558 491618795 /nfs/dbraw/zinc/61/87/95/491618795.db2.gz DZFIQFYEQODPBZ-SFHVURJKSA-N 2 1 370.497 0.904 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000577410633 491620261 /nfs/dbraw/zinc/62/02/61/491620261.db2.gz DDEOVJWVNASZQG-QZTJIDSGSA-N 2 1 367.534 0.944 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@@H]2C1 ZINC000577421713 491621038 /nfs/dbraw/zinc/62/10/38/491621038.db2.gz JEVWRVUOWZEBKQ-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000568983525 491624159 /nfs/dbraw/zinc/62/41/59/491624159.db2.gz KMUGWNVWZBPWLP-SFHVURJKSA-N 2 1 365.474 0.821 20 0 FCADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553955 491624980 /nfs/dbraw/zinc/62/49/80/491624980.db2.gz LMIJOBSPNWPNKR-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576553955 491624983 /nfs/dbraw/zinc/62/49/83/491624983.db2.gz LMIJOBSPNWPNKR-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576553955 491624986 /nfs/dbraw/zinc/62/49/86/491624986.db2.gz LMIJOBSPNWPNKR-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000576599937 491628698 /nfs/dbraw/zinc/62/86/98/491628698.db2.gz QATSXGNYXZBCOP-WMZOPIPTSA-N 2 1 360.502 0.734 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000569049134 491630149 /nfs/dbraw/zinc/63/01/49/491630149.db2.gz YDXYKDCLFMDDNT-IAGOWNOFSA-N 2 1 366.506 0.081 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000576654475 491633592 /nfs/dbraw/zinc/63/35/92/491633592.db2.gz NPWXRPJRDBTDON-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687307 491635766 /nfs/dbraw/zinc/63/57/66/491635766.db2.gz NPHFXSAZPSYAQL-IRXDYDNUSA-N 2 1 365.522 0.714 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000577740743 491648053 /nfs/dbraw/zinc/64/80/53/491648053.db2.gz QIOZZMDEGFMDRB-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050325 491650843 /nfs/dbraw/zinc/65/08/43/491650843.db2.gz ZMHAELRYQMYBAT-WMLDXEAASA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050325 491650845 /nfs/dbraw/zinc/65/08/45/491650845.db2.gz ZMHAELRYQMYBAT-WMLDXEAASA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000562050325 491650846 /nfs/dbraw/zinc/65/08/46/491650846.db2.gz ZMHAELRYQMYBAT-WMLDXEAASA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000562050325 491650848 /nfs/dbraw/zinc/65/08/48/491650848.db2.gz ZMHAELRYQMYBAT-WMLDXEAASA-N 2 1 361.552 0.824 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000576966439 491660775 /nfs/dbraw/zinc/66/07/75/491660775.db2.gz BWSPPWIKKSUQPZ-CGTJXYLNSA-N 2 1 374.485 0.212 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000576966439 491660778 /nfs/dbraw/zinc/66/07/78/491660778.db2.gz BWSPPWIKKSUQPZ-CGTJXYLNSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965459 491661227 /nfs/dbraw/zinc/66/12/27/491661227.db2.gz GTTDZWSHOHLOTP-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965459 491661228 /nfs/dbraw/zinc/66/12/28/491661228.db2.gz GTTDZWSHOHLOTP-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000569444666 491661900 /nfs/dbraw/zinc/66/19/00/491661900.db2.gz CFMDPHUGVNUOQV-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000569444666 491661901 /nfs/dbraw/zinc/66/19/01/491661901.db2.gz CFMDPHUGVNUOQV-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP CS(=O)(=O)C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458502 491663317 /nfs/dbraw/zinc/66/33/17/491663317.db2.gz MBQQZNXWSAIJTI-GDBMZVCRSA-N 2 1 369.531 0.629 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000578228031 491672713 /nfs/dbraw/zinc/67/27/13/491672713.db2.gz FAEHBZIRMPSWPX-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000578306539 491674298 /nfs/dbraw/zinc/67/42/98/491674298.db2.gz PXGYJYAHVSJLQA-IAGOWNOFSA-N 2 1 368.522 0.945 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578354033 491675427 /nfs/dbraw/zinc/67/54/27/491675427.db2.gz HGVAMTGKWKQUGH-JQHSSLGASA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578354033 491675428 /nfs/dbraw/zinc/67/54/28/491675428.db2.gz HGVAMTGKWKQUGH-JQHSSLGASA-N 2 1 374.485 0.260 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510058 491678691 /nfs/dbraw/zinc/67/86/91/491678691.db2.gz YEELJCDLLXGSAT-INMHGKMJSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000578510058 491678692 /nfs/dbraw/zinc/67/86/92/491678692.db2.gz YEELJCDLLXGSAT-INMHGKMJSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000578510058 491678693 /nfs/dbraw/zinc/67/86/93/491678693.db2.gz YEELJCDLLXGSAT-INMHGKMJSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510057 491678814 /nfs/dbraw/zinc/67/88/14/491678814.db2.gz YEELJCDLLXGSAT-HLLBOEOZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000578510057 491678815 /nfs/dbraw/zinc/67/88/15/491678815.db2.gz YEELJCDLLXGSAT-HLLBOEOZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000578510057 491678816 /nfs/dbraw/zinc/67/88/16/491678816.db2.gz YEELJCDLLXGSAT-HLLBOEOZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000578572437 491680041 /nfs/dbraw/zinc/68/00/41/491680041.db2.gz LIYWLAQMLURIAT-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000578572437 491680042 /nfs/dbraw/zinc/68/00/42/491680042.db2.gz LIYWLAQMLURIAT-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000578572437 491680043 /nfs/dbraw/zinc/68/00/43/491680043.db2.gz LIYWLAQMLURIAT-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000578617111 491680856 /nfs/dbraw/zinc/68/08/56/491680856.db2.gz XBNMNXIRGWWVTE-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C[C@@H]1[NH3+] ZINC000578738656 491683149 /nfs/dbraw/zinc/68/31/49/491683149.db2.gz JTFDGMJRVSZZOQ-PLMTUMEDSA-N 2 1 370.497 0.917 20 0 FCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000578748741 491683580 /nfs/dbraw/zinc/68/35/80/491683580.db2.gz AOBGEEJVWLNDFR-NEPJUHHUSA-N 2 1 351.216 0.498 20 0 FCADMP O=C(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000578980711 491688213 /nfs/dbraw/zinc/68/82/13/491688213.db2.gz QNWIINJTNLYMNL-QGZVFWFLSA-N 2 1 359.474 0.240 20 0 FCADMP O=C(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000578980705 491688239 /nfs/dbraw/zinc/68/82/39/491688239.db2.gz QNWIINJTNLYMNL-KRWDZBQOSA-N 2 1 359.474 0.240 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000579270090 491694459 /nfs/dbraw/zinc/69/44/59/491694459.db2.gz OKJRATFNBMJBFZ-OAHLLOKOSA-N 2 1 356.511 0.402 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)[C@H]2C1 ZINC000579342601 491695744 /nfs/dbraw/zinc/69/57/44/491695744.db2.gz WRJHQXSZUGNIIQ-RDGPPVDQSA-N 2 1 370.497 0.740 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000579684097 491702796 /nfs/dbraw/zinc/70/27/96/491702796.db2.gz PJDVXCJALDTMDO-OWCLPIDISA-N 2 1 361.490 0.845 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000579735727 491704219 /nfs/dbraw/zinc/70/42/19/491704219.db2.gz MYGBOGWXGKGPCL-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822367 491705992 /nfs/dbraw/zinc/70/59/92/491705992.db2.gz BMOMZYBHRAFHJS-FXAWDEMLSA-N 3 1 358.486 0.996 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000584580948 491708353 /nfs/dbraw/zinc/70/83/53/491708353.db2.gz MIIGYBRRQZDVTF-SPYBWZPUSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000579931177 491709358 /nfs/dbraw/zinc/70/93/58/491709358.db2.gz NTUBKXFKSRSSMI-SFHVURJKSA-N 2 1 373.501 0.854 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCCC1 ZINC000584669958 491709716 /nfs/dbraw/zinc/70/97/16/491709716.db2.gz VSRQMEOGPUHLED-MRXNPFEDSA-N 2 1 368.522 0.140 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000579933616 491709763 /nfs/dbraw/zinc/70/97/63/491709763.db2.gz LATBSZAEMYZKAT-INIZCTEOSA-N 2 1 360.458 0.426 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000580006182 491713358 /nfs/dbraw/zinc/71/33/58/491713358.db2.gz OOODIOQGGBMAOA-HZPDHXFCSA-N 2 1 350.507 0.991 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000580062707 491715543 /nfs/dbraw/zinc/71/55/43/491715543.db2.gz WBCYWYIBRSDAEX-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000580342616 491727357 /nfs/dbraw/zinc/72/73/57/491727357.db2.gz FEBPLJUHMOCGAU-HOTGVXAUSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580484584 491733228 /nfs/dbraw/zinc/73/32/28/491733228.db2.gz SYQDUYLIHUNFKQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000580538435 491735001 /nfs/dbraw/zinc/73/50/01/491735001.db2.gz HFYRFJSLTAIHAC-GXTWGEPZSA-N 2 1 350.488 0.820 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580715048 491743111 /nfs/dbraw/zinc/74/31/11/491743111.db2.gz YEALZMBXHPNBQL-FXUDXRNXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580715048 491743112 /nfs/dbraw/zinc/74/31/12/491743112.db2.gz YEALZMBXHPNBQL-FXUDXRNXSA-N 2 1 357.520 0.342 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083665 491758741 /nfs/dbraw/zinc/75/87/41/491758741.db2.gz XELSSMUWZMJDRE-HIFRSBDPSA-N 2 1 350.850 0.590 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083665 491758742 /nfs/dbraw/zinc/75/87/42/491758742.db2.gz XELSSMUWZMJDRE-HIFRSBDPSA-N 2 1 350.850 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000581245153 491765321 /nfs/dbraw/zinc/76/53/21/491765321.db2.gz AYKSDAWIHFYXLD-YSHGAJCASA-N 2 1 370.497 0.773 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000581938011 491791192 /nfs/dbraw/zinc/79/11/92/491791192.db2.gz WKJTXCOQAUBEOO-HNNXBMFYSA-N 2 1 350.463 0.757 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582063062 491796436 /nfs/dbraw/zinc/79/64/36/491796436.db2.gz NSMDFTJIKVTCCJ-QWHCGFSZSA-N 2 1 352.460 0.204 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582063062 491796438 /nfs/dbraw/zinc/79/64/38/491796438.db2.gz NSMDFTJIKVTCCJ-QWHCGFSZSA-N 2 1 352.460 0.204 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582231545 491803082 /nfs/dbraw/zinc/80/30/82/491803082.db2.gz NHOZSDSDIFSRJD-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000591448477 491805867 /nfs/dbraw/zinc/80/58/67/491805867.db2.gz IRWMGCYZCVVVSO-KRWDZBQOSA-N 2 1 359.474 0.382 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582350601 491808532 /nfs/dbraw/zinc/80/85/32/491808532.db2.gz BLTBQZYURIRNRR-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582350601 491808533 /nfs/dbraw/zinc/80/85/33/491808533.db2.gz BLTBQZYURIRNRR-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2C)C1 ZINC000582376492 491809853 /nfs/dbraw/zinc/80/98/53/491809853.db2.gz QPQKIFBXJDCDKK-MRXNPFEDSA-N 2 1 365.478 0.267 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000582727302 491824246 /nfs/dbraw/zinc/82/42/46/491824246.db2.gz GOJXJUBWHVOKRB-SFHVURJKSA-N 2 1 362.522 0.955 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740276 491824906 /nfs/dbraw/zinc/82/49/06/491824906.db2.gz KDZMEEVYOTWVGY-DYVFJYSZSA-N 2 1 354.520 0.140 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991074 491835629 /nfs/dbraw/zinc/83/56/29/491835629.db2.gz XLSHOIYZHTZLKI-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434844 491844725 /nfs/dbraw/zinc/84/47/25/491844725.db2.gz GHNRWGJPFWTTNH-YLJYHZDGSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000583458509 491845326 /nfs/dbraw/zinc/84/53/26/491845326.db2.gz JMYUEOVUMDPPAC-JYJNAYRXSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583495671 491846107 /nfs/dbraw/zinc/84/61/07/491846107.db2.gz PFNSUMATBVXCRQ-HIFRSBDPSA-N 2 1 373.544 0.946 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583495671 491846108 /nfs/dbraw/zinc/84/61/08/491846108.db2.gz PFNSUMATBVXCRQ-HIFRSBDPSA-N 2 1 373.544 0.946 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000583555160 491847251 /nfs/dbraw/zinc/84/72/51/491847251.db2.gz GKSAIMJQXRCMJN-LJISPDSOSA-N 2 1 352.479 0.301 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000583555159 491847283 /nfs/dbraw/zinc/84/72/83/491847283.db2.gz GKSAIMJQXRCMJN-KBXIAJHMSA-N 2 1 352.479 0.301 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000583866129 491853681 /nfs/dbraw/zinc/85/36/81/491853681.db2.gz WKADBBWQFQWJTM-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000584173052 491859952 /nfs/dbraw/zinc/85/99/52/491859952.db2.gz QXZPSDIOKLVNRC-LSDHHAIUSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000611650962 491865587 /nfs/dbraw/zinc/86/55/87/491865587.db2.gz SPCOWVPRNOJRLM-ATZDWAIDSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000611650962 491865590 /nfs/dbraw/zinc/86/55/90/491865590.db2.gz SPCOWVPRNOJRLM-ATZDWAIDSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000611650962 491865592 /nfs/dbraw/zinc/86/55/92/491865592.db2.gz SPCOWVPRNOJRLM-ATZDWAIDSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000611650962 491865595 /nfs/dbraw/zinc/86/55/95/491865595.db2.gz SPCOWVPRNOJRLM-ATZDWAIDSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000611650963 491865788 /nfs/dbraw/zinc/86/57/88/491865788.db2.gz SPCOWVPRNOJRLM-AYOQOUSVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000611650963 491865789 /nfs/dbraw/zinc/86/57/89/491865789.db2.gz SPCOWVPRNOJRLM-AYOQOUSVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000611650963 491865790 /nfs/dbraw/zinc/86/57/90/491865790.db2.gz SPCOWVPRNOJRLM-AYOQOUSVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000611650963 491865791 /nfs/dbraw/zinc/86/57/91/491865791.db2.gz SPCOWVPRNOJRLM-AYOQOUSVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000611757589 491872445 /nfs/dbraw/zinc/87/24/45/491872445.db2.gz GAZMMLHRQXFTEE-HZPDHXFCSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611839624 491877514 /nfs/dbraw/zinc/87/75/14/491877514.db2.gz VRKAJZIOFBZYEQ-OAHLLOKOSA-N 2 1 350.507 0.966 20 0 FCADMP COC(=O)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n(C)n1 ZINC000601011532 491892846 /nfs/dbraw/zinc/89/28/46/491892846.db2.gz VCPSQDZFIKWORM-UHFFFAOYSA-N 2 1 358.402 0.606 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)CC3([NH+](C)C)CC3)C2)CC1 ZINC000601370283 491909693 /nfs/dbraw/zinc/90/96/93/491909693.db2.gz PJRPPMBTHYZLEB-INIZCTEOSA-N 2 1 358.552 0.511 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000612484420 491924731 /nfs/dbraw/zinc/92/47/31/491924731.db2.gz BONKCGMLONLWEA-ULQDDVLXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000612484662 491924797 /nfs/dbraw/zinc/92/47/97/491924797.db2.gz CTIHLGJVLYIGPN-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000612594480 491936780 /nfs/dbraw/zinc/93/67/80/491936780.db2.gz NBBNUWVDOBKJGG-IRXDYDNUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000612594480 491936783 /nfs/dbraw/zinc/93/67/83/491936783.db2.gz NBBNUWVDOBKJGG-IRXDYDNUSA-N 2 1 366.506 0.155 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777563 491950310 /nfs/dbraw/zinc/95/03/10/491950310.db2.gz YRBJABUKYRAVND-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000602530818 491991827 /nfs/dbraw/zinc/99/18/27/491991827.db2.gz MATSXMZIMCYUEK-HNNXBMFYSA-N 2 1 361.490 0.552 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000596843671 492002248 /nfs/dbraw/zinc/00/22/48/492002248.db2.gz HSGZPHYTVWHYDF-CVEARBPZSA-N 2 1 354.495 0.853 20 0 FCADMP CCOC(=O)[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)=O ZINC000596899602 492004303 /nfs/dbraw/zinc/00/43/03/492004303.db2.gz NNMLOLMEPANCBF-AWEZNQCLSA-N 2 1 362.430 0.930 20 0 FCADMP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)ccn2)CC1 ZINC000604169046 492052420 /nfs/dbraw/zinc/05/24/20/492052420.db2.gz GTWHVEJNZMGLOZ-INIZCTEOSA-N 2 1 358.490 0.869 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3cc(=O)[nH][nH]3)CC2)CC1 ZINC000614913782 492063986 /nfs/dbraw/zinc/06/39/86/492063986.db2.gz DQKBQZYTNJEDTH-UHFFFAOYSA-N 2 1 363.506 0.955 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000604632419 492065342 /nfs/dbraw/zinc/06/53/42/492065342.db2.gz LTUFDFDXLNFLJB-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652236 492066512 /nfs/dbraw/zinc/06/65/12/492066512.db2.gz VAHDUIHZVASFSD-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604652236 492066514 /nfs/dbraw/zinc/06/65/14/492066514.db2.gz VAHDUIHZVASFSD-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604652236 492066515 /nfs/dbraw/zinc/06/65/15/492066515.db2.gz VAHDUIHZVASFSD-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668764 492067649 /nfs/dbraw/zinc/06/76/49/492067649.db2.gz KNTCJIZEHIAMAX-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP CN1CC[NH+](CC2CN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274011 492084129 /nfs/dbraw/zinc/08/41/29/492084129.db2.gz JNACGNGJHVWOES-OAQYLSRUSA-N 2 1 372.513 0.329 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274011 492084131 /nfs/dbraw/zinc/08/41/31/492084131.db2.gz JNACGNGJHVWOES-OAQYLSRUSA-N 2 1 372.513 0.329 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274011 492084132 /nfs/dbraw/zinc/08/41/32/492084132.db2.gz JNACGNGJHVWOES-OAQYLSRUSA-N 2 1 372.513 0.329 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880719 492105005 /nfs/dbraw/zinc/10/50/05/492105005.db2.gz MIGPFXYRMVJOMU-OWCLPIDISA-N 2 1 356.511 0.894 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880719 492105008 /nfs/dbraw/zinc/10/50/08/492105008.db2.gz MIGPFXYRMVJOMU-OWCLPIDISA-N 2 1 356.511 0.894 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880719 492105011 /nfs/dbraw/zinc/10/50/11/492105011.db2.gz MIGPFXYRMVJOMU-OWCLPIDISA-N 2 1 356.511 0.894 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880719 492105014 /nfs/dbraw/zinc/10/50/14/492105014.db2.gz MIGPFXYRMVJOMU-OWCLPIDISA-N 2 1 356.511 0.894 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000605882252 492105050 /nfs/dbraw/zinc/10/50/50/492105050.db2.gz ODCYFPOMQAWLDF-HNNXBMFYSA-N 2 1 356.511 0.896 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691939 492126538 /nfs/dbraw/zinc/12/65/38/492126538.db2.gz DOUJGETYRIGDFE-FUHWJXTLSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607226883 492141054 /nfs/dbraw/zinc/14/10/54/492141054.db2.gz IMKIVANZQBXIAV-KRWDZBQOSA-N 3 1 357.543 0.478 20 0 FCADMP CC(C)CN1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607226883 492141055 /nfs/dbraw/zinc/14/10/55/492141055.db2.gz IMKIVANZQBXIAV-KRWDZBQOSA-N 2 1 357.543 0.478 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000610250156 492239066 /nfs/dbraw/zinc/23/90/66/492239066.db2.gz BSXADKPPFKKAGD-OAHLLOKOSA-N 2 1 351.495 0.417 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600092956 492243963 /nfs/dbraw/zinc/24/39/63/492243963.db2.gz UCSRZENUJJOVGL-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600092956 492243966 /nfs/dbraw/zinc/24/39/66/492243966.db2.gz UCSRZENUJJOVGL-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000619900063 492282613 /nfs/dbraw/zinc/28/26/13/492282613.db2.gz RMEIYEXFZBHRCT-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900063 492282614 /nfs/dbraw/zinc/28/26/14/492282614.db2.gz RMEIYEXFZBHRCT-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900063 492282615 /nfs/dbraw/zinc/28/26/15/492282615.db2.gz RMEIYEXFZBHRCT-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4c(C(N)=O)cnn4c3)C2)CC1 ZINC000611276398 492283722 /nfs/dbraw/zinc/28/37/22/492283722.db2.gz QFVQJZNMHYTXLD-MRXNPFEDSA-N 2 1 371.489 0.429 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4c(C(N)=O)cnn4c3)C2)CC1 ZINC000611276398 492283724 /nfs/dbraw/zinc/28/37/24/492283724.db2.gz QFVQJZNMHYTXLD-MRXNPFEDSA-N 2 1 371.489 0.429 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373786 492287178 /nfs/dbraw/zinc/28/71/78/492287178.db2.gz OIYPFTFXOVLNAG-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373786 492287179 /nfs/dbraw/zinc/28/71/79/492287179.db2.gz OIYPFTFXOVLNAG-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373786 492287180 /nfs/dbraw/zinc/28/71/80/492287180.db2.gz OIYPFTFXOVLNAG-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373786 492287181 /nfs/dbraw/zinc/28/71/81/492287181.db2.gz OIYPFTFXOVLNAG-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641740962 492301869 /nfs/dbraw/zinc/30/18/69/492301869.db2.gz RVGFWUPDNIOIBE-QGZVFWFLSA-N 2 1 353.511 0.176 20 0 FCADMP COCC1(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000641753160 492302633 /nfs/dbraw/zinc/30/26/33/492302633.db2.gz ZZUJLEDMMUDUMV-INIZCTEOSA-N 2 1 354.495 0.509 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641779917 492303906 /nfs/dbraw/zinc/30/39/06/492303906.db2.gz TVFNVLIUZMIPRZ-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470115 492309267 /nfs/dbraw/zinc/30/92/67/492309267.db2.gz LQOJNESYPIYSMA-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627471943 492310198 /nfs/dbraw/zinc/31/01/98/492310198.db2.gz BYFVAFQGHCSSJP-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000620475478 492311590 /nfs/dbraw/zinc/31/15/90/492311590.db2.gz PYSYFOQMCQRBMC-OTWHNJEPSA-N 2 1 365.518 0.791 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482495 492314137 /nfs/dbraw/zinc/31/41/37/492314137.db2.gz PIXKUQYYJKDVFB-UXHICEINSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620482495 492314143 /nfs/dbraw/zinc/31/41/43/492314143.db2.gz PIXKUQYYJKDVFB-UXHICEINSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620482495 492314147 /nfs/dbraw/zinc/31/41/47/492314147.db2.gz PIXKUQYYJKDVFB-UXHICEINSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620482495 492314152 /nfs/dbraw/zinc/31/41/52/492314152.db2.gz PIXKUQYYJKDVFB-UXHICEINSA-N 2 1 373.497 0.945 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568666 492317386 /nfs/dbraw/zinc/31/73/86/492317386.db2.gz RAVRVMBMRYOIMV-KRWDZBQOSA-N 2 1 359.474 0.673 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840656 492317544 /nfs/dbraw/zinc/31/75/44/492317544.db2.gz ASBSKHWDSMHZTP-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641840656 492317561 /nfs/dbraw/zinc/31/75/61/492317561.db2.gz ASBSKHWDSMHZTP-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641840656 492317564 /nfs/dbraw/zinc/31/75/64/492317564.db2.gz ASBSKHWDSMHZTP-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000627501838 492325564 /nfs/dbraw/zinc/32/55/64/492325564.db2.gz ADPHTBCSXWTQRG-CGTJXYLNSA-N 2 1 358.486 0.976 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000627501838 492325567 /nfs/dbraw/zinc/32/55/67/492325567.db2.gz ADPHTBCSXWTQRG-CGTJXYLNSA-N 2 1 358.486 0.976 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202077 492326753 /nfs/dbraw/zinc/32/67/53/492326753.db2.gz BOTFKYLMKAIYNY-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202077 492326758 /nfs/dbraw/zinc/32/67/58/492326758.db2.gz BOTFKYLMKAIYNY-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202077 492326763 /nfs/dbraw/zinc/32/67/63/492326763.db2.gz BOTFKYLMKAIYNY-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642101817 492334701 /nfs/dbraw/zinc/33/47/01/492334701.db2.gz SXIQJDRIOVCLHB-KURKYZTESA-N 2 1 356.470 0.588 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654679019 492337522 /nfs/dbraw/zinc/33/75/22/492337522.db2.gz LDJOPHDTSUNKHB-KRWDZBQOSA-N 3 1 364.538 0.933 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654679020 492337935 /nfs/dbraw/zinc/33/79/35/492337935.db2.gz LDJOPHDTSUNKHB-QGZVFWFLSA-N 3 1 364.538 0.933 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642189644 492339173 /nfs/dbraw/zinc/33/91/73/492339173.db2.gz DJETXGAIRLQFMA-MSOLQXFVSA-N 2 1 374.485 0.128 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642189645 492339266 /nfs/dbraw/zinc/33/92/66/492339266.db2.gz DJETXGAIRLQFMA-QZTJIDSGSA-N 2 1 374.485 0.128 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195158 492340388 /nfs/dbraw/zinc/34/03/88/492340388.db2.gz ABKGYEUHCLSXGB-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000654703357 492342207 /nfs/dbraw/zinc/34/22/07/492342207.db2.gz VZBUSPYSNNZYRG-CKEIUWERSA-N 2 1 362.478 0.866 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000642253931 492345338 /nfs/dbraw/zinc/34/53/38/492345338.db2.gz RGYFVILNFDCELN-MSOLQXFVSA-N 2 1 374.485 0.119 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253854 492345794 /nfs/dbraw/zinc/34/57/94/492345794.db2.gz LQKZWOFCFOLUNC-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706941 492349085 /nfs/dbraw/zinc/34/90/85/492349085.db2.gz SYWQFNNWCSBUSX-AABGKKOBSA-N 2 1 372.513 0.643 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706941 492349086 /nfs/dbraw/zinc/34/90/86/492349086.db2.gz SYWQFNNWCSBUSX-AABGKKOBSA-N 2 1 372.513 0.643 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642332324 492351630 /nfs/dbraw/zinc/35/16/30/492351630.db2.gz CDQOLGPZGVBVTB-IDCNUPLLSA-N 2 1 374.485 0.513 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330480 492352054 /nfs/dbraw/zinc/35/20/54/492352054.db2.gz MBHYTLPLMJKQHB-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642330427 492352318 /nfs/dbraw/zinc/35/23/18/492352318.db2.gz HVRWYVPNQBLDIO-HNAYVOBHSA-N 2 1 350.507 0.825 20 0 FCADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709115 492361565 /nfs/dbraw/zinc/36/15/65/492361565.db2.gz DJVFSPWMVHFVEM-MSOLQXFVSA-N 2 1 367.515 0.637 20 0 FCADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709115 492361567 /nfs/dbraw/zinc/36/15/67/492361567.db2.gz DJVFSPWMVHFVEM-MSOLQXFVSA-N 2 1 367.515 0.637 20 0 FCADMP OCCOC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634721157 492364284 /nfs/dbraw/zinc/36/42/84/492364284.db2.gz UOBQYKQCMQZOBC-IBGZPJMESA-N 2 1 364.486 0.771 20 0 FCADMP OCCOC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634721157 492364286 /nfs/dbraw/zinc/36/42/86/492364286.db2.gz UOBQYKQCMQZOBC-IBGZPJMESA-N 2 1 364.486 0.771 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000647835133 492368738 /nfs/dbraw/zinc/36/87/38/492368738.db2.gz OAAHWJOGYHVHNU-UHFFFAOYSA-N 2 1 354.882 0.672 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000647835133 492368742 /nfs/dbraw/zinc/36/87/42/492368742.db2.gz OAAHWJOGYHVHNU-UHFFFAOYSA-N 2 1 354.882 0.672 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640706 492369389 /nfs/dbraw/zinc/36/93/89/492369389.db2.gz KLICKWHVAFIYSK-IPMKNSEASA-N 2 1 370.497 0.739 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642693139 492374120 /nfs/dbraw/zinc/37/41/20/492374120.db2.gz XNUYJQRSNNGOIA-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000642693139 492374125 /nfs/dbraw/zinc/37/41/25/492374125.db2.gz XNUYJQRSNNGOIA-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693379 492374631 /nfs/dbraw/zinc/37/46/31/492374631.db2.gz VVLJUWRHGVXVGB-ZFWWWQNUSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000642693379 492374633 /nfs/dbraw/zinc/37/46/33/492374633.db2.gz VVLJUWRHGVXVGB-ZFWWWQNUSA-N 2 1 364.515 0.869 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729525 492381413 /nfs/dbraw/zinc/38/14/13/492381413.db2.gz TUQGTVZXWRDAHP-XIRDDKMYSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729525 492381418 /nfs/dbraw/zinc/38/14/18/492381418.db2.gz TUQGTVZXWRDAHP-XIRDDKMYSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642750508 492384448 /nfs/dbraw/zinc/38/44/48/492384448.db2.gz NNQXRPSBVKZUIX-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642759554 492386459 /nfs/dbraw/zinc/38/64/59/492386459.db2.gz PYQHUJWZPDXYQT-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(N2CCCC2)[nH+]1 ZINC000642778642 492388137 /nfs/dbraw/zinc/38/81/37/492388137.db2.gz ATTVHCAJLUHWQA-FQEVSTJZSA-N 2 1 371.485 0.818 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000647967710 492389229 /nfs/dbraw/zinc/38/92/29/492389229.db2.gz XACDSZGUJKXGTB-FHWLQOOXSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000647967710 492389235 /nfs/dbraw/zinc/38/92/35/492389235.db2.gz XACDSZGUJKXGTB-FHWLQOOXSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000647967710 492389237 /nfs/dbraw/zinc/38/92/37/492389237.db2.gz XACDSZGUJKXGTB-FHWLQOOXSA-N 2 1 358.571 0.395 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c(N2CCCC2)[nH+]1 ZINC000642778990 492389607 /nfs/dbraw/zinc/38/96/07/492389607.db2.gz YCEWHARAONSWHB-INIZCTEOSA-N 2 1 359.474 0.865 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887402 492397249 /nfs/dbraw/zinc/39/72/49/492397249.db2.gz SZJGHUCNVLBFKR-DZOHQFGASA-N 2 1 374.460 0.822 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000642892943 492397699 /nfs/dbraw/zinc/39/76/99/492397699.db2.gz DDZSTHTYAIDXTJ-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000642898816 492398421 /nfs/dbraw/zinc/39/84/21/492398421.db2.gz PTZXYELMYYMLLB-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[C@H]1[NH3+] ZINC000648126523 492403439 /nfs/dbraw/zinc/40/34/39/492403439.db2.gz LQUPAOLVSRIJRM-ZACQAIPSSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919826 492403968 /nfs/dbraw/zinc/40/39/68/492403968.db2.gz IXKNNSDOBCESNT-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000642922021 492404542 /nfs/dbraw/zinc/40/45/42/492404542.db2.gz FGYKXMIUSAGGEO-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[C@@H](O)[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655148209 492407107 /nfs/dbraw/zinc/40/71/07/492407107.db2.gz ZMQOJCRXOPSWFH-QZTJIDSGSA-N 2 1 355.523 0.821 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973145 492409108 /nfs/dbraw/zinc/40/91/08/492409108.db2.gz LBYQIVHXHACFPD-IBGZPJMESA-N 2 1 350.507 0.969 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000642980615 492410634 /nfs/dbraw/zinc/41/06/34/492410634.db2.gz IMWRGIDTFDICDN-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000642980615 492410636 /nfs/dbraw/zinc/41/06/36/492410636.db2.gz IMWRGIDTFDICDN-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642988410 492412242 /nfs/dbraw/zinc/41/22/42/492412242.db2.gz WINUTCNHSBKQOZ-DOTOQJQBSA-N 2 1 367.538 0.247 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642988410 492412237 /nfs/dbraw/zinc/41/22/37/492412237.db2.gz WINUTCNHSBKQOZ-DOTOQJQBSA-N 2 1 367.538 0.247 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000621840199 492422919 /nfs/dbraw/zinc/42/29/19/492422919.db2.gz FFTLSRRYNLGBNE-YWMUFLPLSA-N 2 1 370.497 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000621840199 492422922 /nfs/dbraw/zinc/42/29/22/492422922.db2.gz FFTLSRRYNLGBNE-YWMUFLPLSA-N 2 1 370.497 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621844083 492424298 /nfs/dbraw/zinc/42/42/98/492424298.db2.gz OVIJUPADANVFBZ-OCQZMCQHSA-N 2 1 370.497 0.963 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccsc1 ZINC000621844558 492425465 /nfs/dbraw/zinc/42/54/65/492425465.db2.gz TVJCLJRYFFGARU-VBQJREDUSA-N 2 1 350.488 0.807 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028515 492443412 /nfs/dbraw/zinc/44/34/12/492443412.db2.gz RHKKFJUWRCPXHN-QMTMVMCOSA-N 2 1 364.490 0.038 20 0 FCADMP O=C(CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000655446822 492443928 /nfs/dbraw/zinc/44/39/28/492443928.db2.gz CAYYCEPUSPVYBC-NQIIRXRSSA-N 2 1 370.497 0.837 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449724 492444097 /nfs/dbraw/zinc/44/40/97/492444097.db2.gz MWNVMFPWZWQQSV-VQIMIIECSA-N 2 1 358.490 0.495 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556361 492455839 /nfs/dbraw/zinc/45/58/39/492455839.db2.gz MADAKBSDRYUGQM-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556361 492455842 /nfs/dbraw/zinc/45/58/42/492455842.db2.gz MADAKBSDRYUGQM-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556361 492455845 /nfs/dbraw/zinc/45/58/45/492455845.db2.gz MADAKBSDRYUGQM-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C)CC[NH+]1C ZINC000648784815 492456446 /nfs/dbraw/zinc/45/64/46/492456446.db2.gz GICMYVGJBQQLSV-MZBWOGCUSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](C)C2)CC[NH+]1C ZINC000648784815 492456450 /nfs/dbraw/zinc/45/64/50/492456450.db2.gz GICMYVGJBQQLSV-MZBWOGCUSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](C)C2)CC[NH+]1C ZINC000648784815 492456453 /nfs/dbraw/zinc/45/64/53/492456453.db2.gz GICMYVGJBQQLSV-MZBWOGCUSA-N 2 1 350.507 0.726 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648785588 492456684 /nfs/dbraw/zinc/45/66/84/492456684.db2.gz TYHFQTBBHCKGIK-HLTONANMSA-N 2 1 368.522 0.304 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648785588 492456688 /nfs/dbraw/zinc/45/66/88/492456688.db2.gz TYHFQTBBHCKGIK-HLTONANMSA-N 2 1 368.522 0.304 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648785588 492456690 /nfs/dbraw/zinc/45/66/90/492456690.db2.gz TYHFQTBBHCKGIK-HLTONANMSA-N 2 1 368.522 0.304 20 0 FCADMP CN(C)Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1Cl ZINC000628105939 492467101 /nfs/dbraw/zinc/46/71/01/492467101.db2.gz RFDYMNGMQHSMRS-AWEZNQCLSA-N 2 1 368.865 0.523 20 0 FCADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc2c(c1)OCO2 ZINC000655707668 492477618 /nfs/dbraw/zinc/47/76/18/492477618.db2.gz YPOYVUPFOSDGBW-CVEARBPZSA-N 2 1 364.442 0.998 20 0 FCADMP O=S(=O)(Cc1ccon1)NCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655720694 492478071 /nfs/dbraw/zinc/47/80/71/492478071.db2.gz DARHBHJURFGNPN-INIZCTEOSA-N 2 1 372.491 0.327 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733893 492478858 /nfs/dbraw/zinc/47/88/58/492478858.db2.gz UTEXEQPYFLQWAO-USXIJHARSA-N 2 1 359.536 0.937 20 0 FCADMP CCS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655753913 492479667 /nfs/dbraw/zinc/47/96/67/492479667.db2.gz CKGMBBVFKNHKDP-KRWDZBQOSA-N 2 1 359.536 0.891 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)O1 ZINC000643498055 492482234 /nfs/dbraw/zinc/48/22/34/492482234.db2.gz QPKOHFIXJWPLBU-KSWRQPAISA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)O1 ZINC000643498055 492482238 /nfs/dbraw/zinc/48/22/38/492482238.db2.gz QPKOHFIXJWPLBU-KSWRQPAISA-N 2 1 366.506 0.282 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500568 492483739 /nfs/dbraw/zinc/48/37/39/492483739.db2.gz CDVDLVBYGGHLJP-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635658687 492488231 /nfs/dbraw/zinc/48/82/31/492488231.db2.gz MOSCEFJOKATUGJ-OAHLLOKOSA-N 2 1 370.519 0.974 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531753 492491395 /nfs/dbraw/zinc/49/13/95/492491395.db2.gz GHAMHPKMZARPDJ-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643531934 492492527 /nfs/dbraw/zinc/49/25/27/492492527.db2.gz ZYBAUCINYZKGAU-KSZLIROESA-N 2 1 356.470 0.397 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000643539495 492493680 /nfs/dbraw/zinc/49/36/80/492493680.db2.gz PGIWLUNDFWZSCC-JKSUJKDBSA-N 2 1 368.522 0.389 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643549770 492496798 /nfs/dbraw/zinc/49/67/98/492496798.db2.gz NVZNFQVKQVMFQZ-JOCBIADPSA-N 2 1 360.502 0.672 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655976136 492500188 /nfs/dbraw/zinc/50/01/88/492500188.db2.gz ZMKRDQKESGFKAH-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C2)C1 ZINC000643593933 492503692 /nfs/dbraw/zinc/50/36/92/492503692.db2.gz JOJPSHCUVKZJEV-QKLQHJQFSA-N 2 1 374.460 0.633 20 0 FCADMP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000649283049 492521528 /nfs/dbraw/zinc/52/15/28/492521528.db2.gz CJKKWMQHHZEMPA-QGZVFWFLSA-N 2 1 354.458 0.813 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](c2ccccc2)C1 ZINC000628585097 492525592 /nfs/dbraw/zinc/52/55/92/492525592.db2.gz OETXSJXIVSDLGZ-SQNIBIBYSA-N 2 1 358.486 0.788 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H](c2ccccc2)C1 ZINC000628585097 492525595 /nfs/dbraw/zinc/52/55/95/492525595.db2.gz OETXSJXIVSDLGZ-SQNIBIBYSA-N 2 1 358.486 0.788 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](c2ccccc2)C1 ZINC000628585097 492525598 /nfs/dbraw/zinc/52/55/98/492525598.db2.gz OETXSJXIVSDLGZ-SQNIBIBYSA-N 2 1 358.486 0.788 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]CCOC3)CC2)oc1C ZINC000649331781 492536686 /nfs/dbraw/zinc/53/66/86/492536686.db2.gz WSOVIQFAWCEMPY-MRXNPFEDSA-N 2 1 350.463 0.856 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000649410865 492552402 /nfs/dbraw/zinc/55/24/02/492552402.db2.gz ZHRXOXLOWLCQBH-HKUYNNGSSA-N 2 1 360.502 0.687 20 0 FCADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000649416572 492553484 /nfs/dbraw/zinc/55/34/84/492553484.db2.gz FBTAGUXJYJRFKT-HOTGVXAUSA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000649416572 492553488 /nfs/dbraw/zinc/55/34/88/492553488.db2.gz FBTAGUXJYJRFKT-HOTGVXAUSA-N 2 1 367.538 0.105 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000649473996 492556742 /nfs/dbraw/zinc/55/67/42/492556742.db2.gz ZUBKQEIXJHFCJQ-GVDBMIGSSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000649473996 492556744 /nfs/dbraw/zinc/55/67/44/492556744.db2.gz ZUBKQEIXJHFCJQ-GVDBMIGSSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000649473996 492556747 /nfs/dbraw/zinc/55/67/47/492556747.db2.gz ZUBKQEIXJHFCJQ-GVDBMIGSSA-N 2 1 368.522 0.329 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000636155868 492557518 /nfs/dbraw/zinc/55/75/18/492557518.db2.gz CWVRIKNRSFCIFU-MSOLQXFVSA-N 2 1 351.491 0.857 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000656308595 492581777 /nfs/dbraw/zinc/58/17/77/492581777.db2.gz GACQJGJAHLUIGO-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000636318007 492582622 /nfs/dbraw/zinc/58/26/22/492582622.db2.gz OFYQSKUETSGKAC-UHFFFAOYSA-N 2 1 366.506 0.254 20 0 FCADMP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174950 492584049 /nfs/dbraw/zinc/58/40/49/492584049.db2.gz PPMYOXWRXSNVHD-LJQANCHMSA-N 2 1 360.502 0.772 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636519336 492606975 /nfs/dbraw/zinc/60/69/75/492606975.db2.gz PDGZNOOKTAJZDD-JYJNAYRXSA-N 2 1 369.510 0.125 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354725 492609266 /nfs/dbraw/zinc/60/92/66/492609266.db2.gz GRMJTXBWPJZHAY-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354725 492609268 /nfs/dbraw/zinc/60/92/68/492609268.db2.gz GRMJTXBWPJZHAY-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354725 492609273 /nfs/dbraw/zinc/60/92/73/492609273.db2.gz GRMJTXBWPJZHAY-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354725 492609276 /nfs/dbraw/zinc/60/92/76/492609276.db2.gz GRMJTXBWPJZHAY-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000636522785 492609484 /nfs/dbraw/zinc/60/94/84/492609484.db2.gz NGMFGSKOJZKQJM-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357860 492611770 /nfs/dbraw/zinc/61/17/70/492611770.db2.gz HHYYHMDMDJZIJY-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656357860 492611774 /nfs/dbraw/zinc/61/17/74/492611774.db2.gz HHYYHMDMDJZIJY-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656357860 492611777 /nfs/dbraw/zinc/61/17/77/492611777.db2.gz HHYYHMDMDJZIJY-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000636636427 492644974 /nfs/dbraw/zinc/64/49/74/492644974.db2.gz RBBXZGUPIXBGFQ-NCOADZHNSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668685 492654952 /nfs/dbraw/zinc/65/49/52/492654952.db2.gz PLZSUIBKSAORCY-NVXWUHKLSA-N 2 1 369.469 0.921 20 0 FCADMP COc1ccc(CN2CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578977 492655249 /nfs/dbraw/zinc/65/52/49/492655249.db2.gz YIJBRSBSNRPUBO-UHFFFAOYSA-N 2 1 364.490 0.247 20 0 FCADMP COc1ccc(CN2CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578977 492655254 /nfs/dbraw/zinc/65/52/54/492655254.db2.gz YIJBRSBSNRPUBO-UHFFFAOYSA-N 2 1 364.490 0.247 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162148 492656162 /nfs/dbraw/zinc/65/61/62/492656162.db2.gz BFNBZXVWGIABJX-IEBWSBKVSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162148 492656165 /nfs/dbraw/zinc/65/61/65/492656165.db2.gz BFNBZXVWGIABJX-IEBWSBKVSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162148 492656168 /nfs/dbraw/zinc/65/61/68/492656168.db2.gz BFNBZXVWGIABJX-IEBWSBKVSA-N 2 1 365.522 0.130 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000656889917 492660319 /nfs/dbraw/zinc/66/03/19/492660319.db2.gz KFILHLWMVTVHTK-UHFFFAOYSA-N 2 1 361.471 0.967 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000629792624 492673612 /nfs/dbraw/zinc/67/36/12/492673612.db2.gz WAKKIBKYDLFXKL-KRWDZBQOSA-N 2 1 361.490 0.702 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000629802885 492680407 /nfs/dbraw/zinc/68/04/07/492680407.db2.gz AESVBLKMTDCWJC-QZTJIDSGSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000629802885 492680412 /nfs/dbraw/zinc/68/04/12/492680412.db2.gz AESVBLKMTDCWJC-QZTJIDSGSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000629802882 492680464 /nfs/dbraw/zinc/68/04/64/492680464.db2.gz AESVBLKMTDCWJC-MSOLQXFVSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000629802882 492680466 /nfs/dbraw/zinc/68/04/66/492680466.db2.gz AESVBLKMTDCWJC-MSOLQXFVSA-N 2 1 358.486 0.915 20 0 FCADMP Cc1nnc2n1C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)N(C)C2 ZINC000644323954 492708521 /nfs/dbraw/zinc/70/85/21/492708521.db2.gz NWFWIKXWMGRXAZ-INIZCTEOSA-N 2 1 370.461 0.186 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629974048 492709617 /nfs/dbraw/zinc/70/96/17/492709617.db2.gz KLAUFDQCEGWNEA-SFHVURJKSA-N 2 1 360.502 0.876 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000636939821 492733225 /nfs/dbraw/zinc/73/32/25/492733225.db2.gz GRYRZYGFQCFATK-GVDBMIGSSA-N 2 1 354.495 0.120 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651303733 492737187 /nfs/dbraw/zinc/73/71/87/492737187.db2.gz DWOHGYDIVOWCAV-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644515332 492780164 /nfs/dbraw/zinc/78/01/64/492780164.db2.gz JBCJOUWNIVELTF-GOSISDBHSA-N 2 1 369.531 0.883 20 0 FCADMP CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644515332 492780167 /nfs/dbraw/zinc/78/01/67/492780167.db2.gz JBCJOUWNIVELTF-GOSISDBHSA-N 2 1 369.531 0.883 20 0 FCADMP COc1ccccc1COC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000644563307 492785869 /nfs/dbraw/zinc/78/58/69/492785869.db2.gz CSNWKVAGCXCIKW-KRWDZBQOSA-N 2 1 365.474 0.326 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196437 492803472 /nfs/dbraw/zinc/80/34/72/492803472.db2.gz RPXUIEHEXGQRCU-RDJZCZTQSA-N 2 1 356.470 0.942 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000637290531 492806848 /nfs/dbraw/zinc/80/68/48/492806848.db2.gz NUUVZMMSMJTLPP-KRWDZBQOSA-N 2 1 365.522 0.747 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873549 492807568 /nfs/dbraw/zinc/80/75/68/492807568.db2.gz KIZAPDSKVMZZBA-LJQANCHMSA-N 2 1 357.458 0.284 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000637376184 492816332 /nfs/dbraw/zinc/81/63/32/492816332.db2.gz DXYJIXBRHMFGNS-CVEARBPZSA-N 2 1 351.495 0.454 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375718 492816361 /nfs/dbraw/zinc/81/63/61/492816361.db2.gz QGDGQHDXHMEYGK-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375718 492816364 /nfs/dbraw/zinc/81/63/64/492816364.db2.gz QGDGQHDXHMEYGK-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375718 492816366 /nfs/dbraw/zinc/81/63/66/492816366.db2.gz QGDGQHDXHMEYGK-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000644910528 492823790 /nfs/dbraw/zinc/82/37/90/492823790.db2.gz WTMBLWLHECFMLI-DOTOQJQBSA-N 2 1 357.458 0.283 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000631562419 492824589 /nfs/dbraw/zinc/82/45/89/492824589.db2.gz DQYVNVQLNFKVPD-HXUWFJFHSA-N 2 1 371.485 0.812 20 0 FCADMP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000631749104 492846832 /nfs/dbraw/zinc/84/68/32/492846832.db2.gz NNGTWCCHYIHNRH-IRXDYDNUSA-N 2 1 360.568 0.664 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000631814270 492857972 /nfs/dbraw/zinc/85/79/72/492857972.db2.gz HLVWWLVOKMTCSY-KRWDZBQOSA-N 2 1 359.536 0.989 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000631814270 492857974 /nfs/dbraw/zinc/85/79/74/492857974.db2.gz HLVWWLVOKMTCSY-KRWDZBQOSA-N 2 1 359.536 0.989 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000637819851 492870646 /nfs/dbraw/zinc/87/06/46/492870646.db2.gz RQTVOQPUZYCZGX-QZTJIDSGSA-N 2 1 358.486 0.822 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCC[NH+]3CCOCC3)C2)C1 ZINC000652117797 492882870 /nfs/dbraw/zinc/88/28/70/492882870.db2.gz YWDNFZPFIWDAQY-BBWFWOEESA-N 2 1 354.495 0.637 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000652153908 492888285 /nfs/dbraw/zinc/88/82/85/492888285.db2.gz RQNFFEZPIUYISZ-QGZVFWFLSA-N 2 1 353.511 0.082 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000652153583 492888455 /nfs/dbraw/zinc/88/84/55/492888455.db2.gz MUCKEEDZXPWXCX-SCTDSRPQSA-N 2 1 365.522 0.163 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C[NH+]1CCOCC1 ZINC000652155422 492888850 /nfs/dbraw/zinc/88/88/50/492888850.db2.gz CXVGVPACBJIQMR-XMTFNYHQSA-N 2 1 368.522 0.883 20 0 FCADMP Cc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cn2cc[nH+]c12 ZINC000645364624 492898250 /nfs/dbraw/zinc/89/82/50/492898250.db2.gz NFOZEZRCQCINGZ-UHFFFAOYSA-N 2 1 355.402 0.978 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000638091236 492903775 /nfs/dbraw/zinc/90/37/75/492903775.db2.gz RSBPFLBKBLZDCN-MJQMVNBJSA-N 2 1 352.523 0.770 20 0 FCADMP O=C(CN1CC[NH2+]CC1)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638137815 492915982 /nfs/dbraw/zinc/91/59/82/492915982.db2.gz OPOBDXXQRZAJSB-UHFFFAOYSA-N 2 1 373.545 0.606 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140137 492917775 /nfs/dbraw/zinc/91/77/75/492917775.db2.gz VNSKBBHOKVLLKT-PKOBYXMFSA-N 2 1 360.502 0.803 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000632112070 492931913 /nfs/dbraw/zinc/93/19/13/492931913.db2.gz MJUNZWANPNSURS-IAGOWNOFSA-N 2 1 358.552 0.370 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638347129 492938594 /nfs/dbraw/zinc/93/85/94/492938594.db2.gz LMYVVXFHJWIWRC-MJGOQNOKSA-N 2 1 360.502 0.863 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000652479660 492947674 /nfs/dbraw/zinc/94/76/74/492947674.db2.gz SRMNCTWPLHIFKC-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632245118 492956902 /nfs/dbraw/zinc/95/69/02/492956902.db2.gz ULANBTJSXPGMJJ-GOSISDBHSA-N 2 1 369.531 0.837 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCSCC2)CC1 ZINC000638530151 492958814 /nfs/dbraw/zinc/95/88/14/492958814.db2.gz HWLBXWGEDYSSLC-UHFFFAOYSA-N 2 1 365.565 0.190 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638837084 492981431 /nfs/dbraw/zinc/98/14/31/492981431.db2.gz XVCMZHSBKAHPPQ-BPQIPLTHSA-N 2 1 358.486 0.739 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000645925569 492987506 /nfs/dbraw/zinc/98/75/06/492987506.db2.gz ARBXBQYYLOEFRX-HXUWFJFHSA-N 2 1 373.501 0.835 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652694533 492992830 /nfs/dbraw/zinc/99/28/30/492992830.db2.gz ADPTZIWRYZMKLC-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652694533 492992831 /nfs/dbraw/zinc/99/28/31/492992831.db2.gz ADPTZIWRYZMKLC-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652694531 492992966 /nfs/dbraw/zinc/99/29/66/492992966.db2.gz ADPTZIWRYZMKLC-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652694531 492992967 /nfs/dbraw/zinc/99/29/67/492992967.db2.gz ADPTZIWRYZMKLC-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708287 492996501 /nfs/dbraw/zinc/99/65/01/492996501.db2.gz PQWSNQCJGMJDGY-NVXWUHKLSA-N 2 1 368.522 0.722 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708289 492996623 /nfs/dbraw/zinc/99/66/23/492996623.db2.gz PQWSNQCJGMJDGY-WBVHZDCISA-N 2 1 368.522 0.722 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002957 492999246 /nfs/dbraw/zinc/99/92/46/492999246.db2.gz LIIJMLYXPICOHG-FRQCXROJSA-N 2 1 352.523 0.757 20 0 FCADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009498 493000076 /nfs/dbraw/zinc/00/00/76/493000076.db2.gz NOAQXBIUCOLYGA-ROUUACIJSA-N 2 1 352.523 0.807 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646009438 493000458 /nfs/dbraw/zinc/00/04/58/493000458.db2.gz KBNMUTVHXFPYRH-IEBWSBKVSA-N 2 1 358.486 0.396 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009543 493000824 /nfs/dbraw/zinc/00/08/24/493000824.db2.gz QOWCFIMTMGKDQR-GPMSIDNRSA-N 2 1 368.522 0.042 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009541 493001187 /nfs/dbraw/zinc/00/11/87/493001187.db2.gz QOWCFIMTMGKDQR-FCEWJHQRSA-N 2 1 368.522 0.042 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000652724495 493004272 /nfs/dbraw/zinc/00/42/72/493004272.db2.gz CRISDZIQNKVYFS-UHFFFAOYSA-N 2 1 372.513 0.879 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652731005 493009299 /nfs/dbraw/zinc/00/92/99/493009299.db2.gz YWIMYFPCWXJXCT-ZOBUZTSGSA-N 2 1 366.506 0.284 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652733950 493011577 /nfs/dbraw/zinc/01/15/77/493011577.db2.gz VDPAMBOAJIFWIF-YVSFHVDLSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736936 493013320 /nfs/dbraw/zinc/01/33/20/493013320.db2.gz UJZVDPFLBZQPRO-FHWLQOOXSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652736936 493013322 /nfs/dbraw/zinc/01/33/22/493013322.db2.gz UJZVDPFLBZQPRO-FHWLQOOXSA-N 2 1 370.497 0.582 20 0 FCADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCO1 ZINC000658712395 493023098 /nfs/dbraw/zinc/02/30/98/493023098.db2.gz VHPFEHZGEAWSQG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC(C)(C)[NH+]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632538863 493024435 /nfs/dbraw/zinc/02/44/35/493024435.db2.gz VKBXPMIZSOBELZ-UHFFFAOYSA-N 2 1 360.568 0.760 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000646189056 493025030 /nfs/dbraw/zinc/02/50/30/493025030.db2.gz IHHOQVKVFOSHOI-GOSISDBHSA-N 2 1 361.490 0.351 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646223261 493030566 /nfs/dbraw/zinc/03/05/66/493030566.db2.gz FKQAUAOITKMZNJ-MOPGFXCFSA-N 2 1 360.502 0.548 20 0 FCADMP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682050 493030778 /nfs/dbraw/zinc/03/07/78/493030778.db2.gz JAHIDWOEADZQGA-UHFFFAOYSA-N 2 1 361.490 0.967 20 0 FCADMP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682050 493030782 /nfs/dbraw/zinc/03/07/82/493030782.db2.gz JAHIDWOEADZQGA-UHFFFAOYSA-N 2 1 361.490 0.967 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000658780918 493053634 /nfs/dbraw/zinc/05/36/34/493053634.db2.gz NUAZUVRYSBDFJY-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000658780918 493053638 /nfs/dbraw/zinc/05/36/38/493053638.db2.gz NUAZUVRYSBDFJY-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639867121 493061756 /nfs/dbraw/zinc/06/17/56/493061756.db2.gz KBCGRBOCKAMWHM-HXUWFJFHSA-N 2 1 374.529 0.684 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000639867121 493061762 /nfs/dbraw/zinc/06/17/62/493061762.db2.gz KBCGRBOCKAMWHM-HXUWFJFHSA-N 2 1 374.529 0.684 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115086 493072795 /nfs/dbraw/zinc/07/27/95/493072795.db2.gz CBHFQZBVPFIANI-RDJZCZTQSA-N 2 1 361.490 0.601 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124439 493075343 /nfs/dbraw/zinc/07/53/43/493075343.db2.gz YSSRBAZKOYZZDP-CABCVRRESA-N 2 1 353.536 0.432 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@H](N)CC[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000653124857 493075711 /nfs/dbraw/zinc/07/57/11/493075711.db2.gz JHFZNYTYBRUBPD-MOPGFXCFSA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000653124857 493075716 /nfs/dbraw/zinc/07/57/16/493075716.db2.gz JHFZNYTYBRUBPD-MOPGFXCFSA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000653124857 493075719 /nfs/dbraw/zinc/07/57/19/493075719.db2.gz JHFZNYTYBRUBPD-MOPGFXCFSA-N 2 1 361.534 0.760 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000640051722 493081412 /nfs/dbraw/zinc/08/14/12/493081412.db2.gz XLXJVMUSBYMSMQ-FQEVSTJZSA-N 2 1 374.529 0.983 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000640051722 493081414 /nfs/dbraw/zinc/08/14/14/493081414.db2.gz XLXJVMUSBYMSMQ-FQEVSTJZSA-N 2 1 374.529 0.983 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194662 493082485 /nfs/dbraw/zinc/08/24/85/493082485.db2.gz SAYFUSSZMFOUEO-LJCCNALRSA-N 2 1 362.518 0.907 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633150501 493136390 /nfs/dbraw/zinc/13/63/90/493136390.db2.gz YTQFPXRSLYRYPV-WBVHZDCISA-N 2 1 368.522 0.532 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627295349 493138264 /nfs/dbraw/zinc/13/82/64/493138264.db2.gz ANIDMTXUBLYXGR-OAHLLOKOSA-N 2 1 356.511 0.437 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000627305009 493143250 /nfs/dbraw/zinc/14/32/50/493143250.db2.gz LJDYWHOHZBYVRZ-XQHKEYJVSA-N 2 1 364.412 0.571 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@H]5CC[N@H+](C)[C@H]5C4)o3)C[C@H]21 ZINC000633316764 493145186 /nfs/dbraw/zinc/14/51/86/493145186.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 2 1 372.469 0.832 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)o3)C[C@@H]21 ZINC000633316764 493145191 /nfs/dbraw/zinc/14/51/91/493145191.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 2 1 372.469 0.832 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)o3)C[C@@H]21 ZINC000633316764 493145197 /nfs/dbraw/zinc/14/51/97/493145197.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 2 1 372.469 0.832 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627318785 493149708 /nfs/dbraw/zinc/14/97/08/493149708.db2.gz AGLBDWDIYBLTRP-PWSUYJOCSA-N 2 1 350.385 0.183 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659095308 493149767 /nfs/dbraw/zinc/14/97/67/493149767.db2.gz BOURKCSBZIYYTA-KBPBESRZSA-N 2 1 359.474 0.825 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nc1 ZINC000647034989 493150061 /nfs/dbraw/zinc/15/00/61/493150061.db2.gz NQHZRTWFSABRIE-INIZCTEOSA-N 2 1 359.474 0.291 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nc1 ZINC000647034989 493150063 /nfs/dbraw/zinc/15/00/63/493150063.db2.gz NQHZRTWFSABRIE-INIZCTEOSA-N 2 1 359.474 0.291 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659095310 493150265 /nfs/dbraw/zinc/15/02/65/493150265.db2.gz BOURKCSBZIYYTA-UONOGXRCSA-N 2 1 359.474 0.825 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000627329037 493156426 /nfs/dbraw/zinc/15/64/26/493156426.db2.gz XVPUCVNHIUKIRB-NCXUSEDFSA-N 2 1 370.497 0.881 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627334536 493159001 /nfs/dbraw/zinc/15/90/01/493159001.db2.gz TXCQWWLGHSFDBO-ZBFHGGJFSA-N 2 1 352.479 0.004 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627346362 493166097 /nfs/dbraw/zinc/16/60/97/493166097.db2.gz OIDHBISCFOQPEV-RYUDHWBXSA-N 2 1 361.368 0.293 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627345997 493166586 /nfs/dbraw/zinc/16/65/86/493166586.db2.gz BHQMGUHQOHLOSQ-STQMWFEESA-N 2 1 366.428 0.820 20 0 FCADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641174843 493176717 /nfs/dbraw/zinc/17/67/17/493176717.db2.gz YJLWMNLFOUGDLY-KRWDZBQOSA-N 2 1 357.458 0.396 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627361001 493177586 /nfs/dbraw/zinc/17/75/86/493177586.db2.gz CBTYAQHHQKZVOL-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627361001 493177590 /nfs/dbraw/zinc/17/75/90/493177590.db2.gz CBTYAQHHQKZVOL-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000659446932 493180665 /nfs/dbraw/zinc/18/06/65/493180665.db2.gz VTXDVJOOTTVQBW-ZDUSSCGKSA-N 2 1 370.457 0.887 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000627368536 493182715 /nfs/dbraw/zinc/18/27/15/493182715.db2.gz XHUKAWUNKXHERU-GUTXKFCHSA-N 2 1 350.488 0.725 20 0 FCADMP COCC[C@H]([NH3+])Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230806 493184757 /nfs/dbraw/zinc/18/47/57/493184757.db2.gz UUAYYTMIGFGBQA-PKOBYXMFSA-N 2 1 359.474 0.821 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627379301 493187725 /nfs/dbraw/zinc/18/77/25/493187725.db2.gz IDECJSAUNRWBPC-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000659470807 493189069 /nfs/dbraw/zinc/18/90/69/493189069.db2.gz HKHRJJWIAWRXPC-ZIAGYGMSSA-N 2 1 364.450 0.084 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000659548965 493211664 /nfs/dbraw/zinc/21/16/64/493211664.db2.gz JPUHURGGTWNFJT-QZTJIDSGSA-N 2 1 362.474 0.431 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659611982 493221129 /nfs/dbraw/zinc/22/11/29/493221129.db2.gz UVMIHAGXESCJQO-YESZJQIVSA-N 2 1 365.522 0.761 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659619387 493221991 /nfs/dbraw/zinc/22/19/91/493221991.db2.gz XDNVVMQUKOJMJR-TVRKMHQQSA-N 2 1 365.522 0.175 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659633057 493226073 /nfs/dbraw/zinc/22/60/73/493226073.db2.gz OVGWBLGSFWCHCT-UHFFFAOYSA-N 2 1 370.457 0.977 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672643174 493228315 /nfs/dbraw/zinc/22/83/15/493228315.db2.gz SKPMTMMECJKLMM-INIZCTEOSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672643174 493228317 /nfs/dbraw/zinc/22/83/17/493228317.db2.gz SKPMTMMECJKLMM-INIZCTEOSA-N 2 1 367.538 0.070 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@H]2C1 ZINC000666961377 493242230 /nfs/dbraw/zinc/24/22/30/493242230.db2.gz MPCHEMPHPFJUGW-WBMJQRKESA-N 2 1 360.433 0.963 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@@H]2C1 ZINC000666961375 493242473 /nfs/dbraw/zinc/24/24/73/493242473.db2.gz MPCHEMPHPFJUGW-MLGOLLRUSA-N 2 1 360.433 0.963 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000666976183 493244113 /nfs/dbraw/zinc/24/41/13/493244113.db2.gz DBASDCOEOXZKAB-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP CC1(C)CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000682007546 493260627 /nfs/dbraw/zinc/26/06/27/493260627.db2.gz GMOABQRYXRMJTN-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000682007546 493260630 /nfs/dbraw/zinc/26/06/30/493260630.db2.gz GMOABQRYXRMJTN-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000682007546 493260632 /nfs/dbraw/zinc/26/06/32/493260632.db2.gz GMOABQRYXRMJTN-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000682007546 493260635 /nfs/dbraw/zinc/26/06/35/493260635.db2.gz GMOABQRYXRMJTN-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000672881406 493262378 /nfs/dbraw/zinc/26/23/78/493262378.db2.gz QRULKESZJFCDQF-INIZCTEOSA-N 2 1 368.522 0.585 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704038 493263238 /nfs/dbraw/zinc/26/32/38/493263238.db2.gz HUTHKBDBLNXWNV-MSOLQXFVSA-N 2 1 362.518 0.825 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659703988 493263673 /nfs/dbraw/zinc/26/36/73/493263673.db2.gz IJABBRMXWSSYPO-RDJZCZTQSA-N 2 1 362.518 0.825 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705938 493264422 /nfs/dbraw/zinc/26/44/22/493264422.db2.gz AATABYQLWQPMLW-DLBZAZTESA-N 2 1 366.506 0.062 20 0 FCADMP CC1(C)C[NH+](CCCC[N@H+]2CCN(CCO)C(C)(C)C2)CCN1CCO ZINC000682033906 493265178 /nfs/dbraw/zinc/26/51/78/493265178.db2.gz ADLBXUFALBRYCI-UHFFFAOYSA-N 2 1 370.582 0.544 20 0 FCADMP CC1(C)C[N@H+](CCCCN2CC[NH+](CCO)C(C)(C)C2)CCN1CCO ZINC000682033906 493265185 /nfs/dbraw/zinc/26/51/85/493265185.db2.gz ADLBXUFALBRYCI-UHFFFAOYSA-N 2 1 370.582 0.544 20 0 FCADMP CC1(C)C[N@@H+](CCCCN2CC[NH+](CCO)C(C)(C)C2)CCN1CCO ZINC000682033906 493265188 /nfs/dbraw/zinc/26/51/88/493265188.db2.gz ADLBXUFALBRYCI-UHFFFAOYSA-N 2 1 370.582 0.544 20 0 FCADMP CC1(C)C[NH+](CCCCN2CC[N@H+](CCO)C(C)(C)C2)CCN1CCO ZINC000682033906 493265193 /nfs/dbraw/zinc/26/51/93/493265193.db2.gz ADLBXUFALBRYCI-UHFFFAOYSA-N 2 1 370.582 0.544 20 0 FCADMP CC1(C)C[NH+](CCCCN2CC[N@@H+](CCO)C(C)(C)C2)CCN1CCO ZINC000682033906 493265197 /nfs/dbraw/zinc/26/51/97/493265197.db2.gz ADLBXUFALBRYCI-UHFFFAOYSA-N 2 1 370.582 0.544 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000641668798 493275084 /nfs/dbraw/zinc/27/50/84/493275084.db2.gz DJGCNMSXSGSXDW-FUHWJXTLSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000641668798 493275088 /nfs/dbraw/zinc/27/50/88/493275088.db2.gz DJGCNMSXSGSXDW-FUHWJXTLSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000641668798 493275091 /nfs/dbraw/zinc/27/50/91/493275091.db2.gz DJGCNMSXSGSXDW-FUHWJXTLSA-N 2 1 350.507 0.526 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739459 493280392 /nfs/dbraw/zinc/28/03/92/493280392.db2.gz USXHPLIXALAZLC-SJORKVTESA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659739086 493280628 /nfs/dbraw/zinc/28/06/28/493280628.db2.gz MYCPZGCOMSHRIF-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP CCn1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000682229685 493281044 /nfs/dbraw/zinc/28/10/44/493281044.db2.gz LRWZATIBPFIJIT-INIZCTEOSA-N 2 1 362.478 0.468 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CCO1 ZINC000667397752 493281456 /nfs/dbraw/zinc/28/14/56/493281456.db2.gz GZGCQZGFMRCUAD-IAQYHMDHSA-N 2 1 368.865 0.915 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000667399099 493282101 /nfs/dbraw/zinc/28/21/01/493282101.db2.gz BJYOGHQVFATCOM-CXAGYDPISA-N 2 1 360.458 0.925 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000667399099 493282103 /nfs/dbraw/zinc/28/21/03/493282103.db2.gz BJYOGHQVFATCOM-CXAGYDPISA-N 2 1 360.458 0.925 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000667399100 493282195 /nfs/dbraw/zinc/28/21/95/493282195.db2.gz BJYOGHQVFATCOM-DYVFJYSZSA-N 2 1 360.458 0.925 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000667399100 493282198 /nfs/dbraw/zinc/28/21/98/493282198.db2.gz BJYOGHQVFATCOM-DYVFJYSZSA-N 2 1 360.458 0.925 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000659750073 493285254 /nfs/dbraw/zinc/28/52/54/493285254.db2.gz MDUAQRXYBNKZKY-KRWDZBQOSA-N 2 1 360.502 0.878 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750509 493286224 /nfs/dbraw/zinc/28/62/24/493286224.db2.gz CLUSSCMWCJUTGV-DOTOQJQBSA-N 2 1 361.490 0.619 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000660692843 493373430 /nfs/dbraw/zinc/37/34/30/493373430.db2.gz RHYPAOLQJKGWCQ-QGZVFWFLSA-N 2 1 354.539 0.612 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000668546262 493374159 /nfs/dbraw/zinc/37/41/59/493374159.db2.gz WVYNFSVZBIRKIN-QZTJIDSGSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643409 493389507 /nfs/dbraw/zinc/38/95/07/493389507.db2.gz IXZXCCHXYOUUJM-GOSISDBHSA-N 2 1 374.485 0.168 20 0 FCADMP CN(CCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643409 493389508 /nfs/dbraw/zinc/38/95/08/493389508.db2.gz IXZXCCHXYOUUJM-GOSISDBHSA-N 2 1 374.485 0.168 20 0 FCADMP C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000660932431 493394135 /nfs/dbraw/zinc/39/41/35/493394135.db2.gz WXQODCIDQGWORY-CRAIPNDOSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000660932431 493394136 /nfs/dbraw/zinc/39/41/36/493394136.db2.gz WXQODCIDQGWORY-CRAIPNDOSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000668728083 493402278 /nfs/dbraw/zinc/40/22/78/493402278.db2.gz KTDGOFHYQAMPJM-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000661333528 493428442 /nfs/dbraw/zinc/42/84/42/493428442.db2.gz NGQPLEAHZRSZTP-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000661333520 493428673 /nfs/dbraw/zinc/42/86/73/493428673.db2.gz NGQPLEAHZRSZTP-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661508789 493443734 /nfs/dbraw/zinc/44/37/34/493443734.db2.gz QHLNOAQMZQEIAI-MRXNPFEDSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685336637 493477148 /nfs/dbraw/zinc/47/71/48/493477148.db2.gz JRCOZPUFRNDLKC-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336637 493477151 /nfs/dbraw/zinc/47/71/51/493477151.db2.gz JRCOZPUFRNDLKC-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336637 493477153 /nfs/dbraw/zinc/47/71/53/493477153.db2.gz JRCOZPUFRNDLKC-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336637 493477156 /nfs/dbraw/zinc/47/71/56/493477156.db2.gz JRCOZPUFRNDLKC-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336637 493477159 /nfs/dbraw/zinc/47/71/59/493477159.db2.gz JRCOZPUFRNDLKC-UAGQMJEPSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000685341455 493480173 /nfs/dbraw/zinc/48/01/73/493480173.db2.gz DITIDUQBDOPHJT-KKUMJFAQSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000685341455 493480174 /nfs/dbraw/zinc/48/01/74/493480174.db2.gz DITIDUQBDOPHJT-KKUMJFAQSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000685341455 493480176 /nfs/dbraw/zinc/48/01/76/493480176.db2.gz DITIDUQBDOPHJT-KKUMJFAQSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341455 493480177 /nfs/dbraw/zinc/48/01/77/493480177.db2.gz DITIDUQBDOPHJT-KKUMJFAQSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341574 493480236 /nfs/dbraw/zinc/48/02/36/493480236.db2.gz GTJBWQVUFRVODD-WCVJEAGWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341574 493480238 /nfs/dbraw/zinc/48/02/38/493480238.db2.gz GTJBWQVUFRVODD-WCVJEAGWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000685341574 493480239 /nfs/dbraw/zinc/48/02/39/493480239.db2.gz GTJBWQVUFRVODD-WCVJEAGWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000685341574 493480241 /nfs/dbraw/zinc/48/02/41/493480241.db2.gz GTJBWQVUFRVODD-WCVJEAGWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341565 493480669 /nfs/dbraw/zinc/48/06/69/493480669.db2.gz GTJBWQVUFRVODD-KLHDSHLOSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341565 493480672 /nfs/dbraw/zinc/48/06/72/493480672.db2.gz GTJBWQVUFRVODD-KLHDSHLOSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000685341565 493480675 /nfs/dbraw/zinc/48/06/75/493480675.db2.gz GTJBWQVUFRVODD-KLHDSHLOSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000685341565 493480677 /nfs/dbraw/zinc/48/06/77/493480677.db2.gz GTJBWQVUFRVODD-KLHDSHLOSA-N 2 1 354.495 0.058 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000669251727 493483632 /nfs/dbraw/zinc/48/36/32/493483632.db2.gz YOKNOJRFVCUPDP-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251727 493483634 /nfs/dbraw/zinc/48/36/34/493483634.db2.gz YOKNOJRFVCUPDP-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251727 493483635 /nfs/dbraw/zinc/48/36/35/493483635.db2.gz YOKNOJRFVCUPDP-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000669396657 493502405 /nfs/dbraw/zinc/50/24/05/493502405.db2.gz NEMOYBKBDNCJDX-GOSISDBHSA-N 2 1 362.474 0.697 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@H](C)C1 ZINC000669486290 493506782 /nfs/dbraw/zinc/50/67/82/493506782.db2.gz SXALZXAHDGFCPU-NCOADZHNSA-N 2 1 356.511 0.881 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000669524627 493508930 /nfs/dbraw/zinc/50/89/30/493508930.db2.gz LFMWWXDFEYGNPJ-PMPSAXMXSA-N 2 1 363.506 0.465 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000669518499 493509023 /nfs/dbraw/zinc/50/90/23/493509023.db2.gz QMOJWJWTVLMHDW-FUHWJXTLSA-N 2 1 373.501 0.628 20 0 FCADMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCC1C[NH2+]C1 ZINC000669536263 493509823 /nfs/dbraw/zinc/50/98/23/493509823.db2.gz MOLQGKNTXBAMOZ-UHFFFAOYSA-N 2 1 351.882 0.981 20 0 FCADMP C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000662386205 493511801 /nfs/dbraw/zinc/51/18/01/493511801.db2.gz XYMZNVJPPWNALC-OAHLLOKOSA-N 2 1 357.462 0.177 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662412027 493514071 /nfs/dbraw/zinc/51/40/71/493514071.db2.gz HANAAMRCQZBVST-AWEZNQCLSA-N 2 1 355.280 0.813 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1)Cc1ccccc1 ZINC000662446268 493515775 /nfs/dbraw/zinc/51/57/75/493515775.db2.gz VFFJNDNXZCLLHL-UHFFFAOYSA-N 2 1 371.489 0.127 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)C1 ZINC000662463150 493517686 /nfs/dbraw/zinc/51/76/86/493517686.db2.gz VFRUBMBLCWLPBU-MRXNPFEDSA-N 2 1 361.490 0.994 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000662752837 493537720 /nfs/dbraw/zinc/53/77/20/493537720.db2.gz LGRDMDXDJDWZFU-OAHLLOKOSA-N 2 1 357.414 0.158 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000662752837 493537722 /nfs/dbraw/zinc/53/77/22/493537722.db2.gz LGRDMDXDJDWZFU-OAHLLOKOSA-N 2 1 357.414 0.158 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000662815273 493544398 /nfs/dbraw/zinc/54/43/98/493544398.db2.gz QXGRWGKNKNKUHL-NVXWUHKLSA-N 2 1 355.446 0.774 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000662815272 493544474 /nfs/dbraw/zinc/54/44/74/493544474.db2.gz QXGRWGKNKNKUHL-DOTOQJQBSA-N 2 1 355.446 0.774 20 0 FCADMP [NH3+]C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000662863511 493548068 /nfs/dbraw/zinc/54/80/68/493548068.db2.gz RWQXAAQBRMNYPJ-OAHLLOKOSA-N 2 1 352.479 0.087 20 0 FCADMP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901108 493550123 /nfs/dbraw/zinc/55/01/23/493550123.db2.gz SPYADMCEWNCIRB-HOCLYGCPSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901108 493550124 /nfs/dbraw/zinc/55/01/24/493550124.db2.gz SPYADMCEWNCIRB-HOCLYGCPSA-N 2 1 360.506 0.727 20 0 FCADMP Cc1nnc2n1C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC2 ZINC000676804441 493571983 /nfs/dbraw/zinc/57/19/83/493571983.db2.gz WJIOGTCVFWBMGP-AWEZNQCLSA-N 2 1 355.446 0.934 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000670526184 493577067 /nfs/dbraw/zinc/57/70/67/493577067.db2.gz VOFRJJPZGNPGGK-GJZGRUSLSA-N 2 1 350.463 0.988 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000670545910 493579451 /nfs/dbraw/zinc/57/94/51/493579451.db2.gz SJAXEHNQBSGLSD-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000677152685 493586825 /nfs/dbraw/zinc/58/68/25/493586825.db2.gz ITKOPZUUNGSACL-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000677152685 493586828 /nfs/dbraw/zinc/58/68/28/493586828.db2.gz ITKOPZUUNGSACL-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000677152685 493586829 /nfs/dbraw/zinc/58/68/29/493586829.db2.gz ITKOPZUUNGSACL-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP c1nc2nc(=N[C@H]3CC[NH+](C4CC4)C3)cc(N[C@@H]3CC[N@H+](C4CC4)C3)n2[nH]1 ZINC000663425499 493588410 /nfs/dbraw/zinc/58/84/10/493588410.db2.gz RCSQGAKTBDACFN-UONOGXRCSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@H]3CC[N@@H+](C4CC4)C3)cc(N[C@@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425499 493588411 /nfs/dbraw/zinc/58/84/11/493588411.db2.gz RCSQGAKTBDACFN-UONOGXRCSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@H]3CC[N@H+](C4CC4)C3)cc(N[C@@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425499 493588413 /nfs/dbraw/zinc/58/84/13/493588413.db2.gz RCSQGAKTBDACFN-UONOGXRCSA-N 2 1 368.489 0.843 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000663556683 493598008 /nfs/dbraw/zinc/59/80/08/493598008.db2.gz LVHOXRUOYWUAGF-IKGGRYGDSA-N 2 1 356.511 0.440 20 0 FCADMP O=C1CCCN1[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738080 493614557 /nfs/dbraw/zinc/61/45/57/493614557.db2.gz BOPJTSRWCKDXRB-OEHAVNEVSA-N 2 1 360.502 0.936 20 0 FCADMP O=C1CCCN1[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738080 493614559 /nfs/dbraw/zinc/61/45/59/493614559.db2.gz BOPJTSRWCKDXRB-OEHAVNEVSA-N 2 1 360.502 0.936 20 0 FCADMP O=C1CCCN1[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738080 493614560 /nfs/dbraw/zinc/61/45/60/493614560.db2.gz BOPJTSRWCKDXRB-OEHAVNEVSA-N 2 1 360.502 0.936 20 0 FCADMP C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000677810920 493616967 /nfs/dbraw/zinc/61/69/67/493616967.db2.gz QKFUSDCTMAPDIZ-ZBFHGGJFSA-N 2 1 365.478 0.540 20 0 FCADMP C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677810920 493616968 /nfs/dbraw/zinc/61/69/68/493616968.db2.gz QKFUSDCTMAPDIZ-ZBFHGGJFSA-N 2 1 365.478 0.540 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000671070929 493629159 /nfs/dbraw/zinc/62/91/59/493629159.db2.gz SHFPSLNYIIFCKZ-RHSMWYFYSA-N 2 1 354.520 0.140 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071270 493629341 /nfs/dbraw/zinc/62/93/41/493629341.db2.gz SLJYFOODRRUUFM-ZQIUZPCESA-N 2 1 354.520 0.283 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000671090772 493631749 /nfs/dbraw/zinc/63/17/49/493631749.db2.gz MKJXEMXOYLLEKH-GOSISDBHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000671104924 493634614 /nfs/dbraw/zinc/63/46/14/493634614.db2.gz YSSIOMKWDUWPFE-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000671104924 493634617 /nfs/dbraw/zinc/63/46/17/493634617.db2.gz YSSIOMKWDUWPFE-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104924 493634619 /nfs/dbraw/zinc/63/46/19/493634619.db2.gz YSSIOMKWDUWPFE-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104924 493634622 /nfs/dbraw/zinc/63/46/22/493634622.db2.gz YSSIOMKWDUWPFE-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105859 493634812 /nfs/dbraw/zinc/63/48/12/493634812.db2.gz VJGNGFGIVZJUPP-DOTOQJQBSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105859 493634814 /nfs/dbraw/zinc/63/48/14/493634814.db2.gz VJGNGFGIVZJUPP-DOTOQJQBSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671104819 493635009 /nfs/dbraw/zinc/63/50/09/493635009.db2.gz RUYKYQBLKRWVDC-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671104819 493635010 /nfs/dbraw/zinc/63/50/10/493635010.db2.gz RUYKYQBLKRWVDC-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671104819 493635011 /nfs/dbraw/zinc/63/50/11/493635011.db2.gz RUYKYQBLKRWVDC-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671365614 493660920 /nfs/dbraw/zinc/66/09/20/493660920.db2.gz IVUDAKMYWYURDF-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)N1CCCC1 ZINC000678933050 493665307 /nfs/dbraw/zinc/66/53/07/493665307.db2.gz PVHRAQIJXNHUIP-KRWDZBQOSA-N 2 1 360.506 0.965 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000671404257 493666221 /nfs/dbraw/zinc/66/62/21/493666221.db2.gz CYKIYWBQDVTJDK-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671404257 493666224 /nfs/dbraw/zinc/66/62/24/493666224.db2.gz CYKIYWBQDVTJDK-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671404257 493666226 /nfs/dbraw/zinc/66/62/26/493666226.db2.gz CYKIYWBQDVTJDK-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)CO1 ZINC000664756988 493681892 /nfs/dbraw/zinc/68/18/92/493681892.db2.gz YSFZTBBJIXUHST-BRWVUGGUSA-N 2 1 356.511 0.896 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000680005597 493704984 /nfs/dbraw/zinc/70/49/84/493704984.db2.gz FNLJMCGNTRZAJP-OAHLLOKOSA-N 2 1 362.474 0.885 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000671815790 493707004 /nfs/dbraw/zinc/70/70/04/493707004.db2.gz FUITYWSEJRQACI-HDMKZQKVSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000671815790 493707007 /nfs/dbraw/zinc/70/70/07/493707007.db2.gz FUITYWSEJRQACI-HDMKZQKVSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000671815790 493707009 /nfs/dbraw/zinc/70/70/09/493707009.db2.gz FUITYWSEJRQACI-HDMKZQKVSA-N 2 1 360.502 0.815 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000671849292 493708571 /nfs/dbraw/zinc/70/85/71/493708571.db2.gz UBPNSHRHXRJNEH-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[NH+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000665456375 493715527 /nfs/dbraw/zinc/71/55/27/493715527.db2.gz XCIPKDCPUAHKED-UHFFFAOYSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672007376 493723533 /nfs/dbraw/zinc/72/35/33/493723533.db2.gz AIRPRKLEQMKMKE-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672007376 493723536 /nfs/dbraw/zinc/72/35/36/493723536.db2.gz AIRPRKLEQMKMKE-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010237 493723934 /nfs/dbraw/zinc/72/39/34/493723934.db2.gz MPARPUBOLJUKLX-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013573 493725063 /nfs/dbraw/zinc/72/50/63/493725063.db2.gz LRULFUDJBIRQCL-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014966 493725423 /nfs/dbraw/zinc/72/54/23/493725423.db2.gz ZMZDEXFCTOEYCN-USXIJHARSA-N 2 1 350.507 0.776 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000665719595 493731286 /nfs/dbraw/zinc/73/12/86/493731286.db2.gz JBTIWZOXHQBJTF-HNNXBMFYSA-N 2 1 356.511 0.705 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672099035 493735500 /nfs/dbraw/zinc/73/55/00/493735500.db2.gz PEXRMCDOLSFUJH-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672099035 493735501 /nfs/dbraw/zinc/73/55/01/493735501.db2.gz PEXRMCDOLSFUJH-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672099035 493735503 /nfs/dbraw/zinc/73/55/03/493735503.db2.gz PEXRMCDOLSFUJH-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000672256681 493746520 /nfs/dbraw/zinc/74/65/20/493746520.db2.gz DSQPEHCXVKNRJH-KRWDZBQOSA-N 2 1 370.538 0.208 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493098 536460191 /nfs/dbraw/zinc/46/01/91/536460191.db2.gz JMOKUXPYQHWFAS-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410842669 527730284 /nfs/dbraw/zinc/73/02/84/527730284.db2.gz NRPFYRJUATZVPL-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410842669 527730299 /nfs/dbraw/zinc/73/02/99/527730299.db2.gz NRPFYRJUATZVPL-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[C@H](C)C1 ZINC000410733428 527817353 /nfs/dbraw/zinc/81/73/53/527817353.db2.gz VAXJSIGIIJAGMA-IKGGRYGDSA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[C@H](C)C1 ZINC000410733428 527817362 /nfs/dbraw/zinc/81/73/62/527817362.db2.gz VAXJSIGIIJAGMA-IKGGRYGDSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)[C@H](C)C1 ZINC000410733428 527817367 /nfs/dbraw/zinc/81/73/67/527817367.db2.gz VAXJSIGIIJAGMA-IKGGRYGDSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)[C@H](C)C1 ZINC000410733428 527817377 /nfs/dbraw/zinc/81/73/77/527817377.db2.gz VAXJSIGIIJAGMA-IKGGRYGDSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000410729855 527821494 /nfs/dbraw/zinc/82/14/94/527821494.db2.gz KQKWMROTBGEUPS-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000410729855 527821496 /nfs/dbraw/zinc/82/14/96/527821496.db2.gz KQKWMROTBGEUPS-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1C ZINC000410708091 527922809 /nfs/dbraw/zinc/92/28/09/527922809.db2.gz AXFCLVYROYZIQX-HZPDHXFCSA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1C ZINC000410708091 527922814 /nfs/dbraw/zinc/92/28/14/527922814.db2.gz AXFCLVYROYZIQX-HZPDHXFCSA-N 2 1 368.522 0.497 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187261677 527953564 /nfs/dbraw/zinc/95/35/64/527953564.db2.gz WKOUEPOGHRFDGF-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000157676988 528387656 /nfs/dbraw/zinc/38/76/56/528387656.db2.gz MKMGUJDYKHUKRS-UHFFFAOYSA-N 2 1 355.527 0.959 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000410474835 528388483 /nfs/dbraw/zinc/38/84/83/528388483.db2.gz YHIKYCRCHUVCLK-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CCOC ZINC000410474835 528388486 /nfs/dbraw/zinc/38/84/86/528388486.db2.gz YHIKYCRCHUVCLK-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000410729852 528715523 /nfs/dbraw/zinc/71/55/23/528715523.db2.gz KQKWMROTBGEUPS-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000410729852 528715528 /nfs/dbraw/zinc/71/55/28/528715528.db2.gz KQKWMROTBGEUPS-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019374 529058864 /nfs/dbraw/zinc/05/88/64/529058864.db2.gz FINBTXVSTMNDCU-HZPDHXFCSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019374 529058871 /nfs/dbraw/zinc/05/88/71/529058871.db2.gz FINBTXVSTMNDCU-HZPDHXFCSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019374 529058879 /nfs/dbraw/zinc/05/88/79/529058879.db2.gz FINBTXVSTMNDCU-HZPDHXFCSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019374 529058885 /nfs/dbraw/zinc/05/88/85/529058885.db2.gz FINBTXVSTMNDCU-HZPDHXFCSA-N 2 1 368.522 0.231 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795832 529098701 /nfs/dbraw/zinc/09/87/01/529098701.db2.gz SOHBIMPCQQNSLQ-XHSDSOJGSA-N 2 1 354.495 0.996 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419692520 535072290 /nfs/dbraw/zinc/07/22/90/535072290.db2.gz GZRBATIZOLCJSK-CVEARBPZSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419158927 535082110 /nfs/dbraw/zinc/08/21/10/535082110.db2.gz WUHRBYVRCSAYBM-ARFHVFGLSA-N 2 1 368.522 0.700 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419398974 535082306 /nfs/dbraw/zinc/08/23/06/535082306.db2.gz YAEUVWUTWCUZPR-KRWDZBQOSA-N 2 1 374.485 0.126 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419155869 535082661 /nfs/dbraw/zinc/08/26/61/535082661.db2.gz SENOFENFQKKYNH-VSZNYVQBSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000419158929 535082963 /nfs/dbraw/zinc/08/29/63/535082963.db2.gz WUHRBYVRCSAYBM-OAGGEKHMSA-N 2 1 368.522 0.700 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419171191 535200738 /nfs/dbraw/zinc/20/07/38/535200738.db2.gz XGLJMRIJFCIGRB-INIZCTEOSA-N 2 1 362.474 0.247 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419761645 535296971 /nfs/dbraw/zinc/29/69/71/535296971.db2.gz KUSCZFUAJGKZDF-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423522818 535425211 /nfs/dbraw/zinc/42/52/11/535425211.db2.gz HQBKRVBBXVPWGR-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000423522818 535425216 /nfs/dbraw/zinc/42/52/16/535425216.db2.gz HQBKRVBBXVPWGR-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179626 535439595 /nfs/dbraw/zinc/43/95/95/535439595.db2.gz ZTXZJCZAQHQQOK-PMUMKWKESA-N 2 1 354.495 0.223 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419390627 535462577 /nfs/dbraw/zinc/46/25/77/535462577.db2.gz GQXOPCWKIMCDCP-MRXNPFEDSA-N 2 1 364.515 0.446 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419390627 535462580 /nfs/dbraw/zinc/46/25/80/535462580.db2.gz GQXOPCWKIMCDCP-MRXNPFEDSA-N 2 1 364.515 0.446 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000419897472 535713336 /nfs/dbraw/zinc/71/33/36/535713336.db2.gz YYWQQKACWUSKMX-KRWDZBQOSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375851 535717549 /nfs/dbraw/zinc/71/75/49/535717549.db2.gz FDPOTWDFRUNNOV-AXVVYFOYSA-N 2 1 366.550 0.909 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423794013 536302545 /nfs/dbraw/zinc/30/25/45/536302545.db2.gz XIZAXTFJQKLQLE-ZBFHGGJFSA-N 2 1 363.462 0.517 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416941917 536356743 /nfs/dbraw/zinc/35/67/43/536356743.db2.gz COUSYYBOWIHTAN-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423375994 536367632 /nfs/dbraw/zinc/36/76/32/536367632.db2.gz IZBJEVWKWLWVFZ-LZLYRXPVSA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423375994 536367635 /nfs/dbraw/zinc/36/76/35/536367635.db2.gz IZBJEVWKWLWVFZ-LZLYRXPVSA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000419758121 536368406 /nfs/dbraw/zinc/36/84/06/536368406.db2.gz DMRBOVPTZUHENX-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423311167 536415826 /nfs/dbraw/zinc/41/58/26/536415826.db2.gz SUAQFOXUKHQLPI-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419231270 536417078 /nfs/dbraw/zinc/41/70/78/536417078.db2.gz JORYPPMZQKMXSX-OCCSQVGLSA-N 2 1 350.488 0.431 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419231270 536417080 /nfs/dbraw/zinc/41/70/80/536417080.db2.gz JORYPPMZQKMXSX-OCCSQVGLSA-N 2 1 350.488 0.431 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423712384 536433127 /nfs/dbraw/zinc/43/31/27/536433127.db2.gz OEQVRCLMTZSNAV-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000423859413 536453660 /nfs/dbraw/zinc/45/36/60/536453660.db2.gz HUNUDRHHVJHDAL-LSDHHAIUSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000423859413 536453663 /nfs/dbraw/zinc/45/36/63/536453663.db2.gz HUNUDRHHVJHDAL-LSDHHAIUSA-N 2 1 363.462 0.517 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424526294 536779755 /nfs/dbraw/zinc/77/97/55/536779755.db2.gz RVMWPQGDEAYCMN-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP COC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000423421705 536815904 /nfs/dbraw/zinc/81/59/04/536815904.db2.gz KCIABQHHELPCNP-QFBILLFUSA-N 2 1 361.490 0.334 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000174721771 546583699 /nfs/dbraw/zinc/58/36/99/546583699.db2.gz VWOZJBFZXGHTMK-UHFFFAOYSA-N 2 1 370.519 0.282 20 0 FCADMP CC(C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000591557570 546594799 /nfs/dbraw/zinc/59/47/99/546594799.db2.gz JTTVUIHWICRDCC-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948410430 674377212 /nfs/dbraw/zinc/37/72/12/674377212.db2.gz PKTLMIAIKWCIOL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948410430 674377213 /nfs/dbraw/zinc/37/72/13/674377213.db2.gz PKTLMIAIKWCIOL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948410430 674377214 /nfs/dbraw/zinc/37/72/14/674377214.db2.gz PKTLMIAIKWCIOL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735990 546747536 /nfs/dbraw/zinc/74/75/36/546747536.db2.gz CYBZKCMWBKCECH-QJPTWQEYSA-N 2 1 366.384 0.593 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735989 546747762 /nfs/dbraw/zinc/74/77/62/546747762.db2.gz CYBZKCMWBKCECH-IJLUTSLNSA-N 2 1 366.384 0.593 20 0 FCADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159298 546909821 /nfs/dbraw/zinc/90/98/21/546909821.db2.gz ZEKQHBTTYRBYMJ-UONOGXRCSA-N 2 1 360.449 0.810 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159298 546909823 /nfs/dbraw/zinc/90/98/23/546909823.db2.gz ZEKQHBTTYRBYMJ-UONOGXRCSA-N 2 1 360.449 0.810 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CN1CCOCC1 ZINC000433404348 546921658 /nfs/dbraw/zinc/92/16/58/546921658.db2.gz WOKYMDRWCLKNCE-SJORKVTESA-N 2 1 356.511 0.755 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000433404348 546921664 /nfs/dbraw/zinc/92/16/64/546921664.db2.gz WOKYMDRWCLKNCE-SJORKVTESA-N 2 1 356.511 0.755 20 0 FCADMP COC[C@]1(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800256 546960039 /nfs/dbraw/zinc/96/00/39/546960039.db2.gz AYMWYGDFBCASOR-FUHWJXTLSA-N 2 1 353.511 0.176 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000539285076 547025387 /nfs/dbraw/zinc/02/53/87/547025387.db2.gz IXFYHLSYBUQRCK-SQWLQELKSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000539285076 547025390 /nfs/dbraw/zinc/02/53/90/547025390.db2.gz IXFYHLSYBUQRCK-SQWLQELKSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000539285076 547025396 /nfs/dbraw/zinc/02/53/96/547025396.db2.gz IXFYHLSYBUQRCK-SQWLQELKSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000539285076 547025400 /nfs/dbraw/zinc/02/54/00/547025400.db2.gz IXFYHLSYBUQRCK-SQWLQELKSA-N 2 1 352.479 0.748 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549940994 547075092 /nfs/dbraw/zinc/07/50/92/547075092.db2.gz RFRLFXVNHYAUCX-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC000549964405 547075728 /nfs/dbraw/zinc/07/57/28/547075728.db2.gz HYNOYFMQXFEOPS-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330384 547082701 /nfs/dbraw/zinc/08/27/01/547082701.db2.gz AXOMSMAAIQAZCT-GOEBONIOSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000550355957 547083846 /nfs/dbraw/zinc/08/38/46/547083846.db2.gz KLXWKNYEGAUMQI-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000550457212 547087190 /nfs/dbraw/zinc/08/71/90/547087190.db2.gz AFXYUDFPCZUZCN-INIZCTEOSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000550457212 547087194 /nfs/dbraw/zinc/08/71/94/547087194.db2.gz AFXYUDFPCZUZCN-INIZCTEOSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000550457212 547087198 /nfs/dbraw/zinc/08/71/98/547087198.db2.gz AFXYUDFPCZUZCN-INIZCTEOSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835715 547110570 /nfs/dbraw/zinc/11/05/70/547110570.db2.gz MCTBGMKJPCQISV-CRAIPNDOSA-N 2 1 370.563 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902370 547113464 /nfs/dbraw/zinc/11/34/64/547113464.db2.gz SPWIRRSVBRJWCN-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550902370 547113468 /nfs/dbraw/zinc/11/34/68/547113468.db2.gz SPWIRRSVBRJWCN-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550902370 547113474 /nfs/dbraw/zinc/11/34/74/547113474.db2.gz SPWIRRSVBRJWCN-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902374 547113833 /nfs/dbraw/zinc/11/38/33/547113833.db2.gz SPWIRRSVBRJWCN-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550902374 547113836 /nfs/dbraw/zinc/11/38/36/547113836.db2.gz SPWIRRSVBRJWCN-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550902374 547113838 /nfs/dbraw/zinc/11/38/38/547113838.db2.gz SPWIRRSVBRJWCN-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000550957732 547117769 /nfs/dbraw/zinc/11/77/69/547117769.db2.gz NJVKSNUCUUMNPC-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000550957732 547117774 /nfs/dbraw/zinc/11/77/74/547117774.db2.gz NJVKSNUCUUMNPC-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000550957732 547117778 /nfs/dbraw/zinc/11/77/78/547117778.db2.gz NJVKSNUCUUMNPC-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000552939857 547241365 /nfs/dbraw/zinc/24/13/65/547241365.db2.gz ZGSLBAFDZVVHCD-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000552939857 547241372 /nfs/dbraw/zinc/24/13/72/547241372.db2.gz ZGSLBAFDZVVHCD-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000552939857 547241377 /nfs/dbraw/zinc/24/13/77/547241377.db2.gz ZGSLBAFDZVVHCD-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000552939857 547241382 /nfs/dbraw/zinc/24/13/82/547241382.db2.gz ZGSLBAFDZVVHCD-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000054171449 547414617 /nfs/dbraw/zinc/41/46/17/547414617.db2.gz XTSVIWFIKKCZOM-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000948994712 674391557 /nfs/dbraw/zinc/39/15/57/674391557.db2.gz GLOCQVUAIYEQHF-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000949868366 674414645 /nfs/dbraw/zinc/41/46/45/674414645.db2.gz LQDNZQDRYVMYKX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000950255678 674423549 /nfs/dbraw/zinc/42/35/49/674423549.db2.gz OXXDDRDWYQGRIC-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269371 598518460 /nfs/dbraw/zinc/51/84/60/598518460.db2.gz WLADPYAXXBAOCA-KGLIPLIRSA-N 2 1 359.482 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000951095798 674449231 /nfs/dbraw/zinc/44/92/31/674449231.db2.gz UWVUZYXJLNOOGB-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000953948537 674486860 /nfs/dbraw/zinc/48/68/60/674486860.db2.gz VPJPGGZMYPNWKD-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000953948537 674486862 /nfs/dbraw/zinc/48/68/62/674486862.db2.gz VPJPGGZMYPNWKD-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000953948537 674486864 /nfs/dbraw/zinc/48/68/64/674486864.db2.gz VPJPGGZMYPNWKD-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000957591631 674546632 /nfs/dbraw/zinc/54/66/32/674546632.db2.gz LZXWDOFYEHCUKN-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897650267 665759823 /nfs/dbraw/zinc/75/98/23/665759823.db2.gz HLOQRGIDWWNCHH-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCc2ccns2)C1 ZINC000969945597 663209041 /nfs/dbraw/zinc/20/90/41/663209041.db2.gz XDACEKFLZGLIHX-DVOMOZLQSA-N 2 1 352.504 0.841 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCc2ccns2)C1 ZINC000969945597 663209043 /nfs/dbraw/zinc/20/90/43/663209043.db2.gz XDACEKFLZGLIHX-DVOMOZLQSA-N 2 1 352.504 0.841 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCNC1=O ZINC000891079838 663302316 /nfs/dbraw/zinc/30/23/16/663302316.db2.gz OZTDCRCEPBYWGS-HNNXBMFYSA-N 2 1 354.499 0.069 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971560679 663397643 /nfs/dbraw/zinc/39/76/43/663397643.db2.gz IWXBFALVDCEDHQ-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971560679 663397645 /nfs/dbraw/zinc/39/76/45/663397645.db2.gz IWXBFALVDCEDHQ-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971560679 663397646 /nfs/dbraw/zinc/39/76/46/663397646.db2.gz IWXBFALVDCEDHQ-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000971566240 663398158 /nfs/dbraw/zinc/39/81/58/663398158.db2.gz CGKANWQQUSSTAS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC000971566240 663398159 /nfs/dbraw/zinc/39/81/59/663398159.db2.gz CGKANWQQUSSTAS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC000971566240 663398161 /nfs/dbraw/zinc/39/81/61/663398161.db2.gz CGKANWQQUSSTAS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022103720 663404665 /nfs/dbraw/zinc/40/46/65/663404665.db2.gz MIGRPHKACDKYEG-DGADGQDISA-N 2 1 357.520 0.388 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000891514158 663410888 /nfs/dbraw/zinc/41/08/88/663410888.db2.gz MQYPKTALYJZRIR-VXGBXAGGSA-N 2 1 351.476 0.533 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891547263 663413483 /nfs/dbraw/zinc/41/34/83/663413483.db2.gz ZCSQDCKOENYZLR-KFWWJZLASA-N 2 1 353.467 0.295 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847651 663444720 /nfs/dbraw/zinc/44/47/20/663444720.db2.gz RVYPCMJEUHHEBI-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847651 663444723 /nfs/dbraw/zinc/44/47/23/663444723.db2.gz RVYPCMJEUHHEBI-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847651 663444724 /nfs/dbraw/zinc/44/47/24/663444724.db2.gz RVYPCMJEUHHEBI-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000891926327 663449661 /nfs/dbraw/zinc/44/96/61/663449661.db2.gz MKJUTEWLZYZVOG-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000891926327 663449664 /nfs/dbraw/zinc/44/96/64/663449664.db2.gz MKJUTEWLZYZVOG-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000891926327 663449665 /nfs/dbraw/zinc/44/96/65/663449665.db2.gz MKJUTEWLZYZVOG-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000891929400 663450720 /nfs/dbraw/zinc/45/07/20/663450720.db2.gz NYAIIIYRPFJDEA-HNNXBMFYSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000891929400 663450721 /nfs/dbraw/zinc/45/07/21/663450721.db2.gz NYAIIIYRPFJDEA-HNNXBMFYSA-N 2 1 353.511 0.761 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CCC([NH+]2CCNCC2)CC1 ZINC000892132712 663480450 /nfs/dbraw/zinc/48/04/50/663480450.db2.gz STORIPDHEDLUFN-NFOMZHRRSA-N 2 1 359.465 0.747 20 0 FCADMP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892135154 663480828 /nfs/dbraw/zinc/48/08/28/663480828.db2.gz MYXXKTYNNFIYNF-IRXDYDNUSA-N 2 1 355.527 0.600 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892336035 663574625 /nfs/dbraw/zinc/57/46/25/663574625.db2.gz YKNSQCPOSRGQBJ-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCCCCC2)CC[N@H+]1C ZINC001038264682 663607314 /nfs/dbraw/zinc/60/73/14/663607314.db2.gz DXXDJHSFPQAIMZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCCC2=O)CC[N@H+]1C ZINC001024446342 663943643 /nfs/dbraw/zinc/94/36/43/663943643.db2.gz BOHNLJYVWHKBDM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001024446342 663943644 /nfs/dbraw/zinc/94/36/44/663943644.db2.gz BOHNLJYVWHKBDM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001024446342 663943645 /nfs/dbraw/zinc/94/36/45/663943645.db2.gz BOHNLJYVWHKBDM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000892576064 664042418 /nfs/dbraw/zinc/04/24/18/664042418.db2.gz KNGGORZUERUTPG-WKILWMFISA-N 2 1 351.495 0.309 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052220 664202168 /nfs/dbraw/zinc/20/21/68/664202168.db2.gz DKPSVRDSXNKGLT-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052220 664202170 /nfs/dbraw/zinc/20/21/70/664202170.db2.gz DKPSVRDSXNKGLT-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052220 664202172 /nfs/dbraw/zinc/20/21/72/664202172.db2.gz DKPSVRDSXNKGLT-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001026852341 664270890 /nfs/dbraw/zinc/27/08/90/664270890.db2.gz MGKMCKHVMUWAPB-RBSFLKMASA-N 2 1 352.458 0.526 20 0 FCADMP COCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001026852933 664271243 /nfs/dbraw/zinc/27/12/43/664271243.db2.gz UHMBGKUDHDKKMR-MGPQQGTHSA-N 2 1 351.451 0.494 20 0 FCADMP COCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026852933 664271245 /nfs/dbraw/zinc/27/12/45/664271245.db2.gz UHMBGKUDHDKKMR-MGPQQGTHSA-N 2 1 351.451 0.494 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001026916142 664277132 /nfs/dbraw/zinc/27/71/32/664277132.db2.gz BEUJRYBDWDELJJ-DAXOMENPSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001026916142 664277134 /nfs/dbraw/zinc/27/71/34/664277134.db2.gz BEUJRYBDWDELJJ-DAXOMENPSA-N 2 1 350.463 0.949 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000976406257 664381842 /nfs/dbraw/zinc/38/18/42/664381842.db2.gz MVZLTCMRPHOZOM-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001027893033 664472472 /nfs/dbraw/zinc/47/24/72/664472472.db2.gz KRYYACZRSNQSBS-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001027893033 664472474 /nfs/dbraw/zinc/47/24/74/664472474.db2.gz KRYYACZRSNQSBS-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001027893033 664472475 /nfs/dbraw/zinc/47/24/75/664472475.db2.gz KRYYACZRSNQSBS-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001027893033 664472477 /nfs/dbraw/zinc/47/24/77/664472477.db2.gz KRYYACZRSNQSBS-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CCn1nncc1CN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027965371 664479191 /nfs/dbraw/zinc/47/91/91/664479191.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1CN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027965371 664479192 /nfs/dbraw/zinc/47/91/92/664479192.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 1 350.467 0.098 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981193808 664817267 /nfs/dbraw/zinc/81/72/67/664817267.db2.gz HGRQMSOYTDCYMF-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981193808 664817269 /nfs/dbraw/zinc/81/72/69/664817269.db2.gz HGRQMSOYTDCYMF-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981193808 664817272 /nfs/dbraw/zinc/81/72/72/664817272.db2.gz HGRQMSOYTDCYMF-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981193808 664817275 /nfs/dbraw/zinc/81/72/75/664817275.db2.gz HGRQMSOYTDCYMF-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261603370 664862488 /nfs/dbraw/zinc/86/24/88/664862488.db2.gz CCENRXFRJCNFAK-MRXNPFEDSA-N 2 1 352.504 0.416 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261603370 664862491 /nfs/dbraw/zinc/86/24/91/664862491.db2.gz CCENRXFRJCNFAK-MRXNPFEDSA-N 2 1 352.504 0.416 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC000983713905 664985485 /nfs/dbraw/zinc/98/54/85/664985485.db2.gz NMHSEGYPKFISJC-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H]([NH2+]Cc1cnns1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111493 664986585 /nfs/dbraw/zinc/98/65/85/664986585.db2.gz JHJGYZYTVCOQSQ-DVOMOZLQSA-N 2 1 367.519 0.974 20 0 FCADMP C[C@H]([NH2+]Cc1cnns1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111493 664986586 /nfs/dbraw/zinc/98/65/86/664986586.db2.gz JHJGYZYTVCOQSQ-DVOMOZLQSA-N 2 1 367.519 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000937446385 664998758 /nfs/dbraw/zinc/99/87/58/664998758.db2.gz NOTPDHMUFYIRTP-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000937446385 664998760 /nfs/dbraw/zinc/99/87/60/664998760.db2.gz NOTPDHMUFYIRTP-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CCOC2)O1 ZINC001029357704 665019138 /nfs/dbraw/zinc/01/91/38/665019138.db2.gz QSFGVHRTIYJQNX-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@@H]2CCOC2)O1 ZINC001029357704 665019141 /nfs/dbraw/zinc/01/91/41/665019141.db2.gz QSFGVHRTIYJQNX-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@@H]2CCOC2)O1 ZINC001029357704 665019144 /nfs/dbraw/zinc/01/91/44/665019144.db2.gz QSFGVHRTIYJQNX-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H]2CCOC2)O1 ZINC001029357704 665019146 /nfs/dbraw/zinc/01/91/46/665019146.db2.gz QSFGVHRTIYJQNX-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CCOC2)O1 ZINC001029357704 665019149 /nfs/dbraw/zinc/01/91/49/665019149.db2.gz QSFGVHRTIYJQNX-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@H]2C1 ZINC000895298980 665036023 /nfs/dbraw/zinc/03/60/23/665036023.db2.gz PCFKQZBZNZENFM-IYBDPMFKSA-N 2 1 352.479 0.071 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@H]2C1 ZINC000895298980 665036024 /nfs/dbraw/zinc/03/60/24/665036024.db2.gz PCFKQZBZNZENFM-IYBDPMFKSA-N 2 1 352.479 0.071 20 0 FCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000895297226 665036276 /nfs/dbraw/zinc/03/62/76/665036276.db2.gz ALLVFUCNUKNTRW-HZPDHXFCSA-N 2 1 352.479 0.213 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000895297226 665036280 /nfs/dbraw/zinc/03/62/80/665036280.db2.gz ALLVFUCNUKNTRW-HZPDHXFCSA-N 2 1 352.479 0.213 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300259 665079916 /nfs/dbraw/zinc/07/99/16/665079916.db2.gz FVQRPCXOTQMQGL-QAETUUGQSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300259 665079918 /nfs/dbraw/zinc/07/99/18/665079918.db2.gz FVQRPCXOTQMQGL-QAETUUGQSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300259 665079920 /nfs/dbraw/zinc/07/99/20/665079920.db2.gz FVQRPCXOTQMQGL-QAETUUGQSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCOCC3)C2)O1 ZINC001029766798 665171403 /nfs/dbraw/zinc/17/14/03/665171403.db2.gz GUZBFFUWYBLWOR-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCOCC3)C2)O1 ZINC001029766798 665171405 /nfs/dbraw/zinc/17/14/05/665171405.db2.gz GUZBFFUWYBLWOR-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CCOCC3)C2)O1 ZINC001029766798 665171406 /nfs/dbraw/zinc/17/14/06/665171406.db2.gz GUZBFFUWYBLWOR-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CCOCC3)C2)O1 ZINC001029766798 665171407 /nfs/dbraw/zinc/17/14/07/665171407.db2.gz GUZBFFUWYBLWOR-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766565 665171521 /nfs/dbraw/zinc/17/15/21/665171521.db2.gz DBPTXRJKDWEZIB-HLLBOEOZSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766565 665171523 /nfs/dbraw/zinc/17/15/23/665171523.db2.gz DBPTXRJKDWEZIB-HLLBOEOZSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766565 665171524 /nfs/dbraw/zinc/17/15/24/665171524.db2.gz DBPTXRJKDWEZIB-HLLBOEOZSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766565 665171526 /nfs/dbraw/zinc/17/15/26/665171526.db2.gz DBPTXRJKDWEZIB-HLLBOEOZSA-N 2 1 350.463 0.982 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000897455264 665289114 /nfs/dbraw/zinc/28/91/14/665289114.db2.gz QFGPBEWTLUYQLI-QGZVFWFLSA-N 2 1 351.539 0.997 20 0 FCADMP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C[C@]1(O)CCOC1 ZINC000905024976 666003160 /nfs/dbraw/zinc/00/31/60/666003160.db2.gz LGTUEUBLBHHGGL-RBUKOAKNSA-N 2 1 350.459 0.511 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000907041434 666088622 /nfs/dbraw/zinc/08/86/22/666088622.db2.gz AALROIVZTPKBGO-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000907041434 666088624 /nfs/dbraw/zinc/08/86/24/666088624.db2.gz AALROIVZTPKBGO-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000907041434 666088626 /nfs/dbraw/zinc/08/86/26/666088626.db2.gz AALROIVZTPKBGO-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000908186920 666191730 /nfs/dbraw/zinc/19/17/30/666191730.db2.gz YLVMIRUOTJRCSV-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982067 666301756 /nfs/dbraw/zinc/30/17/56/666301756.db2.gz AFGFAHKSFXQTNK-HOTGVXAUSA-N 2 1 354.495 0.252 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911034507 666307469 /nfs/dbraw/zinc/30/74/69/666307469.db2.gz OJSIUGKVGJLSJY-QXSJWSMHSA-N 2 1 354.495 0.045 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000911166024 666319434 /nfs/dbraw/zinc/31/94/34/666319434.db2.gz TWNNBIBZFRGSFL-OAHLLOKOSA-N 2 1 362.499 0.328 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000911166024 666319437 /nfs/dbraw/zinc/31/94/37/666319437.db2.gz TWNNBIBZFRGSFL-OAHLLOKOSA-N 2 1 362.499 0.328 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000911529302 666362327 /nfs/dbraw/zinc/36/23/27/666362327.db2.gz CKNPDAHCVPZCRT-UHFFFAOYSA-N 2 1 354.495 0.191 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564715 666367118 /nfs/dbraw/zinc/36/71/18/666367118.db2.gz VJHMLCHONBTYGD-SJORKVTESA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000911844203 666374937 /nfs/dbraw/zinc/37/49/37/666374937.db2.gz ROWPEMWNPLRVMU-HZPDHXFCSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938607486 666473488 /nfs/dbraw/zinc/47/34/88/666473488.db2.gz IHJJLTOZZCMQFU-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992695 666490556 /nfs/dbraw/zinc/49/05/56/666490556.db2.gz KTXWWHULORPCFQ-APWZRJJASA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCC3CCOCC3)C2)O1 ZINC001031765130 666495028 /nfs/dbraw/zinc/49/50/28/666495028.db2.gz BFIHFRRVDDRZIW-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCC3CCOCC3)C2)O1 ZINC001031765130 666495030 /nfs/dbraw/zinc/49/50/30/666495030.db2.gz BFIHFRRVDDRZIW-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940300084 666545728 /nfs/dbraw/zinc/54/57/28/666545728.db2.gz DMXDKVKEDZZNPR-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000940300084 666545731 /nfs/dbraw/zinc/54/57/31/666545731.db2.gz DMXDKVKEDZZNPR-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000940300084 666545735 /nfs/dbraw/zinc/54/57/35/666545735.db2.gz DMXDKVKEDZZNPR-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC[N@H+]1C ZINC000941216021 666593694 /nfs/dbraw/zinc/59/36/94/666593694.db2.gz CGFJKUSBFVAPRY-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000941220120 666594205 /nfs/dbraw/zinc/59/42/05/666594205.db2.gz KYAJMXSTFUXCGM-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000941220120 666594207 /nfs/dbraw/zinc/59/42/07/666594207.db2.gz KYAJMXSTFUXCGM-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000941220120 666594210 /nfs/dbraw/zinc/59/42/10/666594210.db2.gz KYAJMXSTFUXCGM-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000943655075 666781516 /nfs/dbraw/zinc/78/15/16/666781516.db2.gz WNBZWSARLGJAIM-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000943655075 666781518 /nfs/dbraw/zinc/78/15/18/666781518.db2.gz WNBZWSARLGJAIM-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000943655075 666781521 /nfs/dbraw/zinc/78/15/21/666781521.db2.gz WNBZWSARLGJAIM-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000944051000 666824266 /nfs/dbraw/zinc/82/42/66/666824266.db2.gz UQRGTVFGEXDMOU-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000944051000 666824268 /nfs/dbraw/zinc/82/42/68/666824268.db2.gz UQRGTVFGEXDMOU-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000944051000 666824270 /nfs/dbraw/zinc/82/42/70/666824270.db2.gz UQRGTVFGEXDMOU-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)c1nc(CNC(=O)[C@@H]2CC[NH+](C)C2)cs1 ZINC000732911750 666909636 /nfs/dbraw/zinc/90/96/36/666909636.db2.gz GWIZWIQAXVXVAA-OLZOCXBDSA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000732911750 666909639 /nfs/dbraw/zinc/90/96/39/666909639.db2.gz GWIZWIQAXVXVAA-OLZOCXBDSA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000732911750 666909640 /nfs/dbraw/zinc/90/96/40/666909640.db2.gz GWIZWIQAXVXVAA-OLZOCXBDSA-N 2 1 365.503 0.626 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000993959309 666951020 /nfs/dbraw/zinc/95/10/20/666951020.db2.gz OHGNLLGYXBNNNO-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993959309 666951023 /nfs/dbraw/zinc/95/10/23/666951023.db2.gz OHGNLLGYXBNNNO-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993959309 666951028 /nfs/dbraw/zinc/95/10/28/666951028.db2.gz OHGNLLGYXBNNNO-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000994456881 667048763 /nfs/dbraw/zinc/04/87/63/667048763.db2.gz RVBYEUXLHYGINI-WCXIOVBPSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000994456881 667048766 /nfs/dbraw/zinc/04/87/66/667048766.db2.gz RVBYEUXLHYGINI-WCXIOVBPSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000994456881 667048769 /nfs/dbraw/zinc/04/87/69/667048769.db2.gz RVBYEUXLHYGINI-WCXIOVBPSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000917224707 667064701 /nfs/dbraw/zinc/06/47/01/667064701.db2.gz SRMYHDLISKNARC-NVXWUHKLSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCF)C3)nn2)CC[N@H+]1C ZINC000999988059 667259063 /nfs/dbraw/zinc/25/90/63/667259063.db2.gz SKRPUTHGKCDPSB-VNQPRFMTSA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCCF)C3)nn2)CC[NH+]1C ZINC000999988059 667259068 /nfs/dbraw/zinc/25/90/68/667259068.db2.gz SKRPUTHGKCDPSB-VNQPRFMTSA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCCF)C3)nn2)CC[NH+]1C ZINC000999988059 667259073 /nfs/dbraw/zinc/25/90/73/667259073.db2.gz SKRPUTHGKCDPSB-VNQPRFMTSA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031681652 667264123 /nfs/dbraw/zinc/26/41/23/667264123.db2.gz DAEMIYONKUERCR-IJEWVQPXSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031681652 667264124 /nfs/dbraw/zinc/26/41/24/667264124.db2.gz DAEMIYONKUERCR-IJEWVQPXSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001002245589 667526092 /nfs/dbraw/zinc/52/60/92/667526092.db2.gz IWFPTFYMFRQNQX-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033087155 667668944 /nfs/dbraw/zinc/66/89/44/667668944.db2.gz AWTUTZIJFQRQOU-KSZLIROESA-N 2 1 353.507 0.648 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640621 667699652 /nfs/dbraw/zinc/69/96/52/667699652.db2.gz UYVQKPPENBYMCF-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640621 667699655 /nfs/dbraw/zinc/69/96/55/667699655.db2.gz UYVQKPPENBYMCF-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640621 667699659 /nfs/dbraw/zinc/69/96/59/667699659.db2.gz UYVQKPPENBYMCF-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640621 667699660 /nfs/dbraw/zinc/69/96/60/667699660.db2.gz UYVQKPPENBYMCF-IGKNDFSCSA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001034570513 667761248 /nfs/dbraw/zinc/76/12/48/667761248.db2.gz LULUJCQCSGONMO-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324237 667825327 /nfs/dbraw/zinc/82/53/27/667825327.db2.gz QWVWKTINMNMFKT-QGZVFWFLSA-N 3 1 350.507 0.241 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331871 667826576 /nfs/dbraw/zinc/82/65/76/667826576.db2.gz PDPJTTYEYJOFPZ-HOCLYGCPSA-N 2 1 359.536 0.673 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331871 667826579 /nfs/dbraw/zinc/82/65/79/667826579.db2.gz PDPJTTYEYJOFPZ-HOCLYGCPSA-N 2 1 359.536 0.673 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000946907896 667839640 /nfs/dbraw/zinc/83/96/40/667839640.db2.gz RXGIHZWLCUTRIW-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000946907896 667839643 /nfs/dbraw/zinc/83/96/43/667839643.db2.gz RXGIHZWLCUTRIW-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000946907896 667839648 /nfs/dbraw/zinc/83/96/48/667839648.db2.gz RXGIHZWLCUTRIW-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000923481803 667839914 /nfs/dbraw/zinc/83/99/14/667839914.db2.gz LXUJWNLPQBRWLN-KRWDZBQOSA-N 3 1 352.523 0.808 20 0 FCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000923481803 667839918 /nfs/dbraw/zinc/83/99/18/667839918.db2.gz LXUJWNLPQBRWLN-KRWDZBQOSA-N 3 1 352.523 0.808 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923481829 667840030 /nfs/dbraw/zinc/84/00/30/667840030.db2.gz MKOSMOAKYOCZSP-UONOGXRCSA-N 2 1 350.438 0.790 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476913 667850758 /nfs/dbraw/zinc/85/07/58/667850758.db2.gz LDJIZRYHSLFKRZ-MRXNPFEDSA-N 2 1 369.579 0.735 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000923584852 667854573 /nfs/dbraw/zinc/85/45/73/667854573.db2.gz YFFANYJRALBILO-UHFFFAOYSA-N 2 1 368.503 0.353 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000923584852 667854575 /nfs/dbraw/zinc/85/45/75/667854575.db2.gz YFFANYJRALBILO-UHFFFAOYSA-N 2 1 368.503 0.353 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000743596097 668049531 /nfs/dbraw/zinc/04/95/31/668049531.db2.gz ZSVYNWUIJMAZCW-INIZCTEOSA-N 2 1 369.579 0.735 20 0 FCADMP O[C@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767691432 668058872 /nfs/dbraw/zinc/05/88/72/668058872.db2.gz UNCLXCMROBVIFL-SJORKVTESA-N 2 1 370.563 0.551 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@H]3CCOC3)CC1)C2=O ZINC000784009720 668639784 /nfs/dbraw/zinc/63/97/84/668639784.db2.gz WSYLQBSIXHSHSU-HNNXBMFYSA-N 2 1 350.463 0.709 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(CCOCC3)CC1)C2=O ZINC000789528965 668860263 /nfs/dbraw/zinc/86/02/63/668860263.db2.gz GPZOCDRJISSHSX-UHFFFAOYSA-N 2 1 350.463 0.853 20 0 FCADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363442 668875313 /nfs/dbraw/zinc/87/53/13/668875313.db2.gz SYQVKHDYLVMMAZ-RDTXWAMCSA-N 2 1 351.447 0.945 20 0 FCADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363442 668875314 /nfs/dbraw/zinc/87/53/14/668875314.db2.gz SYQVKHDYLVMMAZ-RDTXWAMCSA-N 2 1 351.447 0.945 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000793742189 668947349 /nfs/dbraw/zinc/94/73/49/668947349.db2.gz PKVRTGHJFNLXCX-HIFRSBDPSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000793742189 668947355 /nfs/dbraw/zinc/94/73/55/668947355.db2.gz PKVRTGHJFNLXCX-HIFRSBDPSA-N 2 1 354.495 0.201 20 0 FCADMP CN(C)C(=O)OC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000821774012 669217946 /nfs/dbraw/zinc/21/79/46/669217946.db2.gz DSRSZNAPJPHYTA-CQSZACIVSA-N 2 1 354.451 0.228 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000799125480 669282823 /nfs/dbraw/zinc/28/28/23/669282823.db2.gz FZCOIZIGTNOBIH-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055372 669356859 /nfs/dbraw/zinc/35/68/59/669356859.db2.gz MVGUAQWHNDCAQV-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@H]1C[C@@H]([N@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140418 669569111 /nfs/dbraw/zinc/56/91/11/669569111.db2.gz NXPXXYBLVGHLNW-KGLIPLIRSA-N 2 1 350.463 0.850 20 0 FCADMP CO[C@H]1C[C@@H]([N@@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140418 669569113 /nfs/dbraw/zinc/56/91/13/669569113.db2.gz NXPXXYBLVGHLNW-KGLIPLIRSA-N 2 1 350.463 0.850 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)C2=O ZINC000842619124 670703029 /nfs/dbraw/zinc/70/30/29/670703029.db2.gz UHMGARYZSMYIOT-GJZGRUSLSA-N 2 1 350.463 0.851 20 0 FCADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000843400523 670812824 /nfs/dbraw/zinc/81/28/24/670812824.db2.gz GPKRZTPJZVRNRR-AWEZNQCLSA-N 2 1 367.412 0.868 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000844162891 670902509 /nfs/dbraw/zinc/90/25/09/670902509.db2.gz PIWWHXZUTKMYLQ-UHFFFAOYSA-N 2 1 365.459 0.847 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCSCC1 ZINC000845495423 671012330 /nfs/dbraw/zinc/01/23/30/671012330.db2.gz VBRDAOUXIFVRMU-CQSZACIVSA-N 2 1 374.551 0.996 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000968012824 675178229 /nfs/dbraw/zinc/17/82/29/675178229.db2.gz FLERYYDPLYQXNJ-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000968091268 675182500 /nfs/dbraw/zinc/18/25/00/675182500.db2.gz QJFFKQBZKUGKDF-FVQBIDKESA-N 2 1 354.495 0.105 20 0 FCADMP CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000968091268 675182503 /nfs/dbraw/zinc/18/25/03/675182503.db2.gz QJFFKQBZKUGKDF-FVQBIDKESA-N 2 1 354.495 0.105 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(=O)N(C)C[C@H]3C)CC2)CC1 ZINC000847851072 671230434 /nfs/dbraw/zinc/23/04/34/671230434.db2.gz VESIWSZPLVPCNV-OAHLLOKOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CS(N)(=O)=O)c1 ZINC000849066989 671316810 /nfs/dbraw/zinc/31/68/10/671316810.db2.gz VNOABWVPLUNAGP-HNNXBMFYSA-N 2 1 353.492 0.573 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849115688 671318924 /nfs/dbraw/zinc/31/89/24/671318924.db2.gz AXEYPQBXUNBLTP-MRXNPFEDSA-N 2 1 353.511 0.466 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853683337 671554129 /nfs/dbraw/zinc/55/41/29/671554129.db2.gz QUVDIGLQZMBNBA-BRWVUGGUSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000853683337 671554130 /nfs/dbraw/zinc/55/41/30/671554130.db2.gz QUVDIGLQZMBNBA-BRWVUGGUSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000853683337 671554131 /nfs/dbraw/zinc/55/41/31/671554131.db2.gz QUVDIGLQZMBNBA-BRWVUGGUSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853683340 671554136 /nfs/dbraw/zinc/55/41/36/671554136.db2.gz QUVDIGLQZMBNBA-YESZJQIVSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000853683340 671554138 /nfs/dbraw/zinc/55/41/38/671554138.db2.gz QUVDIGLQZMBNBA-YESZJQIVSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000853683340 671554139 /nfs/dbraw/zinc/55/41/39/671554139.db2.gz QUVDIGLQZMBNBA-YESZJQIVSA-N 2 1 352.479 0.090 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](NC(N)=O)C1)CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000859218241 671801862 /nfs/dbraw/zinc/80/18/62/671801862.db2.gz JJVISDGMOFJDEV-ZIAGYGMSSA-N 2 1 370.574 0.180 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000859275344 671807360 /nfs/dbraw/zinc/80/73/60/671807360.db2.gz HWKZUGDSAXZHLR-TVFCKZIOSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@@H](O)C1)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275344 671807365 /nfs/dbraw/zinc/80/73/65/671807365.db2.gz HWKZUGDSAXZHLR-TVFCKZIOSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@@H](O)C1)CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275344 671807368 /nfs/dbraw/zinc/80/73/68/671807368.db2.gz HWKZUGDSAXZHLR-TVFCKZIOSA-N 2 1 374.598 0.045 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903732334 675964987 /nfs/dbraw/zinc/96/49/87/675964987.db2.gz DLSYWKNSERRHIR-KRWDZBQOSA-N 2 1 350.507 0.385 20 0 FCADMP NS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903780567 675972879 /nfs/dbraw/zinc/97/28/79/675972879.db2.gz IYSUCNLKKPBJOW-OAHLLOKOSA-N 2 1 365.499 0.851 20 0 FCADMP NS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903780567 675972882 /nfs/dbraw/zinc/97/28/82/675972882.db2.gz IYSUCNLKKPBJOW-OAHLLOKOSA-N 2 1 365.499 0.851 20 0 FCADMP O=C1[C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000903926948 675983181 /nfs/dbraw/zinc/98/31/81/675983181.db2.gz VWSPQMZSEBHBNA-DGCLKSJQSA-N 2 1 360.384 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)CC[N@@H+]1C ZINC001053260934 675992734 /nfs/dbraw/zinc/99/27/34/675992734.db2.gz NQRQJNVUNZFXLY-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)CC[N@H+]1C ZINC001053260934 675992736 /nfs/dbraw/zinc/99/27/36/675992736.db2.gz NQRQJNVUNZFXLY-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000865942799 672257420 /nfs/dbraw/zinc/25/74/20/672257420.db2.gz CFSWBCHIRBTFRV-KPWCQOOUSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000865942799 672257423 /nfs/dbraw/zinc/25/74/23/672257423.db2.gz CFSWBCHIRBTFRV-KPWCQOOUSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000865942799 672257426 /nfs/dbraw/zinc/25/74/26/672257426.db2.gz CFSWBCHIRBTFRV-KPWCQOOUSA-N 2 1 360.449 0.820 20 0 FCADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000923619677 672489620 /nfs/dbraw/zinc/48/96/20/672489620.db2.gz KHBGWNUVMWPBBK-UKRRQHHQSA-N 2 1 358.533 0.871 20 0 FCADMP CC[C@@H](F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583410 676025264 /nfs/dbraw/zinc/02/52/64/676025264.db2.gz MPBDDKYIWQPSFQ-FVQBIDKESA-N 2 1 356.486 0.772 20 0 FCADMP COC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600885 672563663 /nfs/dbraw/zinc/56/36/63/672563663.db2.gz FUKDDVCTEJSBHK-LSDHHAIUSA-N 2 1 353.463 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056549057 676047162 /nfs/dbraw/zinc/04/71/62/676047162.db2.gz VACYVTXKAMICFI-VQHPVUNQSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C1\SCC(=O)N1C ZINC000874266295 672771810 /nfs/dbraw/zinc/77/18/10/672771810.db2.gz IOOWMBWWMPEBGS-RQNDZEIBSA-N 2 1 354.520 0.908 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048779 672823901 /nfs/dbraw/zinc/82/39/01/672823901.db2.gz WAIFVOGIAKQZNP-SQNIBIBYSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048779 672823903 /nfs/dbraw/zinc/82/39/03/672823903.db2.gz WAIFVOGIAKQZNP-SQNIBIBYSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048779 672823906 /nfs/dbraw/zinc/82/39/06/672823906.db2.gz WAIFVOGIAKQZNP-SQNIBIBYSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048773 672823921 /nfs/dbraw/zinc/82/39/21/672823921.db2.gz WAIFVOGIAKQZNP-BZSNNMDCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048773 672823924 /nfs/dbraw/zinc/82/39/24/672823924.db2.gz WAIFVOGIAKQZNP-BZSNNMDCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048773 672823927 /nfs/dbraw/zinc/82/39/27/672823927.db2.gz WAIFVOGIAKQZNP-BZSNNMDCSA-N 2 1 351.539 0.994 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876780660 672979574 /nfs/dbraw/zinc/97/95/74/672979574.db2.gz HXVFLNHBMFRLRX-GJZGRUSLSA-N 2 1 350.442 0.053 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)on1 ZINC001051623896 676106633 /nfs/dbraw/zinc/10/66/33/676106633.db2.gz KHKYKJALLDROOB-BPLDGKMQSA-N 2 1 352.435 0.340 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)on1 ZINC001051623896 676106639 /nfs/dbraw/zinc/10/66/39/676106639.db2.gz KHKYKJALLDROOB-BPLDGKMQSA-N 2 1 352.435 0.340 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622972 676106669 /nfs/dbraw/zinc/10/66/69/676106669.db2.gz AYERDMCUHKLJHH-VNQPRFMTSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC(F)(F)C3)C2)O1 ZINC001051678152 676108483 /nfs/dbraw/zinc/10/84/83/676108483.db2.gz AARSGUNEMSJDPK-BPLDGKMQSA-N 2 1 361.433 0.568 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]CC3CC(F)(F)C3)C2)O1 ZINC001051678152 676108485 /nfs/dbraw/zinc/10/84/85/676108485.db2.gz AARSGUNEMSJDPK-BPLDGKMQSA-N 2 1 361.433 0.568 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000881621728 673233241 /nfs/dbraw/zinc/23/32/41/673233241.db2.gz FDCUVEXCAWILMU-UHFFFAOYSA-N 2 1 352.479 0.041 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883439366 673375514 /nfs/dbraw/zinc/37/55/14/673375514.db2.gz PTZDIZUQNXLVOL-XUWVNRHRSA-N 2 1 351.447 0.582 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884508389 673458280 /nfs/dbraw/zinc/45/82/80/673458280.db2.gz CQYCCWNTBIRDMX-RYUDHWBXSA-N 2 1 361.368 0.293 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)CCC(F)(F)F ZINC000884513258 673458797 /nfs/dbraw/zinc/45/87/97/673458797.db2.gz DJSVCTJMENHJDX-VXGBXAGGSA-N 2 1 352.401 0.430 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)CCC(F)(F)F ZINC000884513258 673458799 /nfs/dbraw/zinc/45/87/99/673458799.db2.gz DJSVCTJMENHJDX-VXGBXAGGSA-N 2 1 352.401 0.430 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000884513473 673458830 /nfs/dbraw/zinc/45/88/30/673458830.db2.gz JSRFCUAHXJUNEV-TXEJJXNPSA-N 2 1 350.385 0.340 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000884513473 673458832 /nfs/dbraw/zinc/45/88/32/673458832.db2.gz JSRFCUAHXJUNEV-TXEJJXNPSA-N 2 1 350.385 0.340 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000884554308 673461628 /nfs/dbraw/zinc/46/16/28/673461628.db2.gz QPYWSFNEOPJDED-TYILLQQXSA-N 2 1 350.507 0.951 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884576595 673463174 /nfs/dbraw/zinc/46/31/74/673463174.db2.gz LDNMDLSSCVQQNP-AGIUHOORSA-N 2 1 364.412 0.430 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884576286 673463234 /nfs/dbraw/zinc/46/32/34/673463234.db2.gz DJBWIUCKSLMORQ-GFCCVEGCSA-N 2 1 365.503 0.335 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000884601691 673464990 /nfs/dbraw/zinc/46/49/90/673464990.db2.gz SPMGCQJOAQWHSM-CMPLNLGQSA-N 2 1 350.385 0.183 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000884607273 673465322 /nfs/dbraw/zinc/46/53/22/673465322.db2.gz UMDSYRCCRIRURY-RZLSGREXSA-N 2 1 362.499 0.820 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CC[N@@H+](C)CC1 ZINC000884623510 673466992 /nfs/dbraw/zinc/46/69/92/673466992.db2.gz FWMPUSVELCETGH-CYZMBNFOSA-N 2 1 362.396 0.349 20 0 FCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884631806 673468122 /nfs/dbraw/zinc/46/81/22/673468122.db2.gz YKZCFQTUKYHQTR-DNVCBOLYSA-N 2 1 350.507 0.810 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884876934 673487981 /nfs/dbraw/zinc/48/79/81/673487981.db2.gz PYUBWXRDGASOLJ-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884954333 673493198 /nfs/dbraw/zinc/49/31/98/673493198.db2.gz CMLLYQBMVBXXBZ-HOTGVXAUSA-N 2 1 369.535 0.967 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970483 673494420 /nfs/dbraw/zinc/49/44/20/673494420.db2.gz KDCPOFWCKHDBBG-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC[C@H]21 ZINC000884970071 673494430 /nfs/dbraw/zinc/49/44/30/673494430.db2.gz CUQAOJKQXSTDJZ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974129 673495042 /nfs/dbraw/zinc/49/50/42/673495042.db2.gz NDQKCNKHESQPJT-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000885195757 673507787 /nfs/dbraw/zinc/50/77/87/673507787.db2.gz OQVWZDVNGCYZOB-ZNMIVQPWSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000885195757 673507789 /nfs/dbraw/zinc/50/77/89/673507789.db2.gz OQVWZDVNGCYZOB-ZNMIVQPWSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000885276626 673511423 /nfs/dbraw/zinc/51/14/23/673511423.db2.gz SGVZWPXFNGRTCL-MCIONIFRSA-N 2 1 360.449 0.584 20 0 FCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704470 673761480 /nfs/dbraw/zinc/76/14/80/673761480.db2.gz FLVPFQNHFUYGKB-KBPBESRZSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000925354765 673788627 /nfs/dbraw/zinc/78/86/27/673788627.db2.gz LIQBSKDPKJCGME-CABCVRRESA-N 2 1 351.495 0.594 20 0 FCADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926170117 673814816 /nfs/dbraw/zinc/81/48/16/673814816.db2.gz IGOFEGOLZFEYNL-FPAYPSAMSA-N 2 1 352.523 0.220 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927638474 673873996 /nfs/dbraw/zinc/87/39/96/673873996.db2.gz BLMFSEFAHSDWLD-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@@H]1C ZINC000927638474 673874000 /nfs/dbraw/zinc/87/40/00/673874000.db2.gz BLMFSEFAHSDWLD-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@@H]1C ZINC000927638474 673874003 /nfs/dbraw/zinc/87/40/03/673874003.db2.gz BLMFSEFAHSDWLD-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968728054 675227160 /nfs/dbraw/zinc/22/71/60/675227160.db2.gz AZRWXTFJHOZHNA-RBSFLKMASA-N 2 1 352.504 0.749 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001007370170 675288182 /nfs/dbraw/zinc/28/81/82/675288182.db2.gz WQOAUJMLGGKLIB-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001007376964 675288641 /nfs/dbraw/zinc/28/86/41/675288641.db2.gz PKTIEFHENVPBLP-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001007376964 675288644 /nfs/dbraw/zinc/28/86/44/675288644.db2.gz PKTIEFHENVPBLP-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001007376964 675288646 /nfs/dbraw/zinc/28/86/46/675288646.db2.gz PKTIEFHENVPBLP-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001007376964 675288647 /nfs/dbraw/zinc/28/86/47/675288647.db2.gz PKTIEFHENVPBLP-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001007376964 675288649 /nfs/dbraw/zinc/28/86/49/675288649.db2.gz PKTIEFHENVPBLP-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019212109 675422743 /nfs/dbraw/zinc/42/27/43/675422743.db2.gz IDKPCWMSCGDHHO-OAGGEKHMSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001020171935 675436410 /nfs/dbraw/zinc/43/64/10/675436410.db2.gz DSDAVPWECCQSSA-BQJWPVKWSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1ncsc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020286723 675439285 /nfs/dbraw/zinc/43/92/85/675439285.db2.gz KVJRQXIFFVQGEP-NMFUWQPSSA-N 2 1 352.504 0.950 20 0 FCADMP Cc1ncsc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020286723 675439286 /nfs/dbraw/zinc/43/92/86/675439286.db2.gz KVJRQXIFFVQGEP-NMFUWQPSSA-N 2 1 352.504 0.950 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001020287863 675439712 /nfs/dbraw/zinc/43/97/12/675439712.db2.gz NYOUZUNBJRSLQC-FDYHWXHSSA-N 2 1 357.405 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001020287863 675439714 /nfs/dbraw/zinc/43/97/14/675439714.db2.gz NYOUZUNBJRSLQC-FDYHWXHSSA-N 2 1 357.405 0.734 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287884 675439803 /nfs/dbraw/zinc/43/98/03/675439803.db2.gz PWEADJKNFRIVOP-XKVFNRALSA-N 2 1 350.467 0.062 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287884 675439805 /nfs/dbraw/zinc/43/98/05/675439805.db2.gz PWEADJKNFRIVOP-XKVFNRALSA-N 2 1 350.467 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001040210169 675460152 /nfs/dbraw/zinc/46/01/52/675460152.db2.gz PEVRLXUWCODLLS-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001040210169 675460153 /nfs/dbraw/zinc/46/01/53/675460153.db2.gz PEVRLXUWCODLLS-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001040210169 675460154 /nfs/dbraw/zinc/46/01/54/675460154.db2.gz PEVRLXUWCODLLS-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001040210169 675460156 /nfs/dbraw/zinc/46/01/56/675460156.db2.gz PEVRLXUWCODLLS-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938504 675673862 /nfs/dbraw/zinc/67/38/62/675673862.db2.gz DEKKNDXDZUODTD-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938504 675673864 /nfs/dbraw/zinc/67/38/64/675673864.db2.gz DEKKNDXDZUODTD-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938504 675673866 /nfs/dbraw/zinc/67/38/66/675673866.db2.gz DEKKNDXDZUODTD-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900732577 675711438 /nfs/dbraw/zinc/71/14/38/675711438.db2.gz MPAQBKUHOMLNAH-SQNIBIBYSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900732577 675711442 /nfs/dbraw/zinc/71/14/42/675711442.db2.gz MPAQBKUHOMLNAH-SQNIBIBYSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900732577 675711445 /nfs/dbraw/zinc/71/14/45/675711445.db2.gz MPAQBKUHOMLNAH-SQNIBIBYSA-N 2 1 350.507 0.526 20 0 FCADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000801544910 675790728 /nfs/dbraw/zinc/79/07/28/675790728.db2.gz WNMHGABRBYTFAE-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092129 1168158886 /nfs/dbraw/zinc/15/88/86/1168158886.db2.gz DSVPIEXUMKQTRT-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614351 1168161326 /nfs/dbraw/zinc/16/13/26/1168161326.db2.gz WFKQSMPVOCMJHG-HSFUPAIVSA-N 2 1 356.470 0.457 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001167096043 1168206649 /nfs/dbraw/zinc/20/66/49/1168206649.db2.gz RMBNSVQQNGATFR-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(N4CCCC4)cc[nH+]3)C[C@H]1C2 ZINC001167228715 1168460199 /nfs/dbraw/zinc/46/01/99/1168460199.db2.gz KLVQVWIIQFBRIY-GJRWTSMGSA-N 2 1 357.458 0.912 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000748113606 1168503117 /nfs/dbraw/zinc/50/31/17/1168503117.db2.gz NFQQINZLWWMJIS-UHFFFAOYSA-N 2 1 370.457 0.698 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087134782 1169891642 /nfs/dbraw/zinc/89/16/42/1169891642.db2.gz GNRNNHUCMQEKKX-KBMXLJTQSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087134782 1169891643 /nfs/dbraw/zinc/89/16/43/1169891643.db2.gz GNRNNHUCMQEKKX-KBMXLJTQSA-N 2 1 361.494 0.819 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC001021712004 1169915050 /nfs/dbraw/zinc/91/50/50/1169915050.db2.gz IIDBRMIDBVDKFF-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC001021712004 1169915066 /nfs/dbraw/zinc/91/50/66/1169915066.db2.gz IIDBRMIDBVDKFF-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001021713992 1169919049 /nfs/dbraw/zinc/91/90/49/1169919049.db2.gz GWHKVNRJDBODQF-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001021713992 1169919060 /nfs/dbraw/zinc/91/90/60/1169919060.db2.gz GWHKVNRJDBODQF-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)CC[N@@H+]1C ZINC001021806388 1170082092 /nfs/dbraw/zinc/08/20/92/1170082092.db2.gz QECIIPDJFKZFRD-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)CC[N@H+]1C ZINC001021806388 1170082098 /nfs/dbraw/zinc/08/20/98/1170082098.db2.gz QECIIPDJFKZFRD-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703868 1170107977 /nfs/dbraw/zinc/10/79/77/1170107977.db2.gz PCBCNWKDYPZELO-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cncn1C ZINC001104345431 1170127338 /nfs/dbraw/zinc/12/73/38/1170127338.db2.gz GTWBOYMZHNGCRI-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cncn1C ZINC001104345431 1170127344 /nfs/dbraw/zinc/12/73/44/1170127344.db2.gz GTWBOYMZHNGCRI-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346982 1170132666 /nfs/dbraw/zinc/13/26/66/1170132666.db2.gz OHZLZXOABFXHIW-BRSBDYLESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346982 1170132674 /nfs/dbraw/zinc/13/26/74/1170132674.db2.gz OHZLZXOABFXHIW-BRSBDYLESA-N 2 1 371.522 0.443 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001021898759 1170268851 /nfs/dbraw/zinc/26/88/51/1170268851.db2.gz CJVXDRQJGLFNSZ-GVDBMIGSSA-N 2 1 371.485 0.916 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022035443 1170443964 /nfs/dbraw/zinc/44/39/64/1170443964.db2.gz MVODJRYJHSBUKP-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104363734 1170489524 /nfs/dbraw/zinc/48/95/24/1170489524.db2.gz FDWZMWURUWVHAA-HZSPNIEDSA-N 2 1 369.510 0.374 20 0 FCADMP Cn1cncc1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000971568621 1170541521 /nfs/dbraw/zinc/54/15/21/1170541521.db2.gz WTOGFKHSXHRPTM-DJIMGWMZSA-N 2 1 359.474 0.506 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC000971569804 1170547582 /nfs/dbraw/zinc/54/75/82/1170547582.db2.gz XVMSTWNYMMDZKK-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022213100 1170759636 /nfs/dbraw/zinc/75/96/36/1170759636.db2.gz YBJPAWJDZXAWJM-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022213100 1170759641 /nfs/dbraw/zinc/75/96/41/1170759641.db2.gz YBJPAWJDZXAWJM-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4cncn4C)[C@@H]3C2)CC[N@H+]1C ZINC001022213282 1170760903 /nfs/dbraw/zinc/76/09/03/1170760903.db2.gz AJCWWBJEBREHLU-YALNPMBYSA-N 2 1 359.474 0.362 20 0 FCADMP Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC000971718070 1170796358 /nfs/dbraw/zinc/79/63/58/1170796358.db2.gz CUIJFXJFBXZZTA-ARFHVFGLSA-N 2 1 357.462 0.954 20 0 FCADMP Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC000971718070 1170796363 /nfs/dbraw/zinc/79/63/63/1170796363.db2.gz CUIJFXJFBXZZTA-ARFHVFGLSA-N 2 1 357.462 0.954 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001691095857 1170801449 /nfs/dbraw/zinc/80/14/49/1170801449.db2.gz MYYPMRFKKQCODA-LJISPDSOSA-N 2 1 363.462 0.828 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@H+]1C1CC1 ZINC000891662504 1170801716 /nfs/dbraw/zinc/80/17/16/1170801716.db2.gz YCNWPNVGMDQGGF-JLHFOLKXSA-N 2 1 363.462 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001691143728 1170840530 /nfs/dbraw/zinc/84/05/30/1170840530.db2.gz XARXQGIDSNPFHO-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001691143728 1170840532 /nfs/dbraw/zinc/84/05/32/1170840532.db2.gz XARXQGIDSNPFHO-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001691143728 1170840534 /nfs/dbraw/zinc/84/05/34/1170840534.db2.gz XARXQGIDSNPFHO-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+](C)CC1 ZINC000891805505 1170880714 /nfs/dbraw/zinc/88/07/14/1170880714.db2.gz LSYFDFKUYMWQTD-UHFFFAOYSA-N 2 1 374.533 0.935 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087177330 1170897346 /nfs/dbraw/zinc/89/73/46/1170897346.db2.gz TZGWFTQBYXKWMQ-OAGGEKHMSA-N 2 1 363.510 0.801 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087177330 1170897347 /nfs/dbraw/zinc/89/73/47/1170897347.db2.gz TZGWFTQBYXKWMQ-OAGGEKHMSA-N 2 1 363.510 0.801 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087181402 1171036663 /nfs/dbraw/zinc/03/66/63/1171036663.db2.gz PTRNNNUMZOVVOO-PNBKFKSVSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087181402 1171036672 /nfs/dbraw/zinc/03/66/72/1171036672.db2.gz PTRNNNUMZOVVOO-PNBKFKSVSA-N 2 1 364.494 0.251 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909931 1171066509 /nfs/dbraw/zinc/06/65/09/1171066509.db2.gz OMYAAILHMDVNRZ-JONQDZQNSA-N 2 1 367.494 0.683 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691333760 1171127216 /nfs/dbraw/zinc/12/72/16/1171127216.db2.gz QOXGFLFHCABCLN-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691365489 1171210794 /nfs/dbraw/zinc/21/07/94/1171210794.db2.gz CBGZOTLHYYIAPC-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC001022516849 1171353469 /nfs/dbraw/zinc/35/34/69/1171353469.db2.gz ZSYUFQUXWSWCHO-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000892058346 1171539481 /nfs/dbraw/zinc/53/94/81/1171539481.db2.gz XOEVKNCCWQLSKO-QGZVFWFLSA-N 2 1 367.538 0.472 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892180339 1171691220 /nfs/dbraw/zinc/69/12/20/1171691220.db2.gz MRHDXQNWBUGASC-QZTJIDSGSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892180339 1171691228 /nfs/dbraw/zinc/69/12/28/1171691228.db2.gz MRHDXQNWBUGASC-QZTJIDSGSA-N 2 1 362.474 0.483 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022746226 1171852611 /nfs/dbraw/zinc/85/26/11/1171852611.db2.gz JFRPJUADWIKARP-MTHXSQLBSA-N 2 1 370.497 0.847 20 0 FCADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)NC[C@@H]2COCCN2)C1 ZINC000892288735 1172020623 /nfs/dbraw/zinc/02/06/23/1172020623.db2.gz GLBMFMOIBUECPH-MSOLQXFVSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1ccc(CN2CCO[C@@H](CNC(=O)NC[C@H]3COCCN3)C2)cc1 ZINC000892289951 1172023023 /nfs/dbraw/zinc/02/30/23/1172023023.db2.gz PBZCIXTZSCDQMD-ROUUACIJSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000989116990 1192688953 /nfs/dbraw/zinc/68/89/53/1192688953.db2.gz CIIIWRRERYWSIX-XOKHGSTOSA-N 2 1 371.441 0.384 20 0 FCADMP CN(C(=O)CC(O)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000537227324 1192788772 /nfs/dbraw/zinc/78/87/72/1192788772.db2.gz AEPYMXAGQCXCOF-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897863617 1192848808 /nfs/dbraw/zinc/84/88/08/1192848808.db2.gz GAPNKZPUBYJPPK-RBUKOAKNSA-N 2 1 359.470 0.243 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001272199203 1192875083 /nfs/dbraw/zinc/87/50/83/1192875083.db2.gz QIUDIFPKTAIXJV-LJQANCHMSA-N 2 1 363.506 0.701 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001691567131 1192885582 /nfs/dbraw/zinc/88/55/82/1192885582.db2.gz UWJXTPZTYNWOML-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001691567131 1192885583 /nfs/dbraw/zinc/88/55/83/1192885583.db2.gz UWJXTPZTYNWOML-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001691567131 1192885585 /nfs/dbraw/zinc/88/55/85/1192885585.db2.gz UWJXTPZTYNWOML-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000583615814 1179233420 /nfs/dbraw/zinc/23/34/20/1179233420.db2.gz VXXJIBANUMDFRH-UHFFFAOYSA-N 2 1 352.438 0.572 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444880 1179747768 /nfs/dbraw/zinc/74/77/68/1179747768.db2.gz ZEPDSAZXTAELJL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001023444880 1179747788 /nfs/dbraw/zinc/74/77/88/1179747788.db2.gz ZEPDSAZXTAELJL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444880 1179747798 /nfs/dbraw/zinc/74/77/98/1179747798.db2.gz ZEPDSAZXTAELJL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001023444880 1179747805 /nfs/dbraw/zinc/74/78/05/1179747805.db2.gz ZEPDSAZXTAELJL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1cnc(CN2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451565 1179758266 /nfs/dbraw/zinc/75/82/66/1179758266.db2.gz QGJGIYYBTJIYBO-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(CN2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451565 1179758270 /nfs/dbraw/zinc/75/82/70/1179758270.db2.gz QGJGIYYBTJIYBO-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1 ZINC000972639272 1180096447 /nfs/dbraw/zinc/09/64/47/1180096447.db2.gz YIZLGDBKTWCQFX-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)CCC1 ZINC000972640791 1180098983 /nfs/dbraw/zinc/09/89/83/1180098983.db2.gz RWUIKCMRSXUGDP-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000785184819 1180532173 /nfs/dbraw/zinc/53/21/73/1180532173.db2.gz BPXNXVAMHAAJKL-UHFFFAOYSA-N 2 1 373.501 0.930 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892430549 1180871279 /nfs/dbraw/zinc/87/12/79/1180871279.db2.gz KVMPJDSTJQIRCL-BZSNNMDCSA-N 2 1 367.538 0.600 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939723 1181545288 /nfs/dbraw/zinc/54/52/88/1181545288.db2.gz OXJZPGVAFOJZTI-HKUYNNGSSA-N 2 1 363.506 0.512 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994158 1181863160 /nfs/dbraw/zinc/86/31/60/1181863160.db2.gz HZZVIIBOQOEKSM-CGTJXYLNSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892648120 1182000794 /nfs/dbraw/zinc/00/07/94/1182000794.db2.gz CAZWXYSDWISWMF-FRQCXROJSA-N 2 1 365.522 0.522 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892648120 1182000799 /nfs/dbraw/zinc/00/07/99/1182000799.db2.gz CAZWXYSDWISWMF-FRQCXROJSA-N 2 1 365.522 0.522 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892648120 1182000807 /nfs/dbraw/zinc/00/08/07/1182000807.db2.gz CAZWXYSDWISWMF-FRQCXROJSA-N 2 1 365.522 0.522 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000892650820 1182003863 /nfs/dbraw/zinc/00/38/63/1182003863.db2.gz QZBWYAUQXIGXDX-ULQDDVLXSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000892650820 1182003865 /nfs/dbraw/zinc/00/38/65/1182003865.db2.gz QZBWYAUQXIGXDX-ULQDDVLXSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000892650820 1182003870 /nfs/dbraw/zinc/00/38/70/1182003870.db2.gz QZBWYAUQXIGXDX-ULQDDVLXSA-N 2 1 365.522 0.807 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000892883394 1182562241 /nfs/dbraw/zinc/56/22/41/1182562241.db2.gz CUHIXPVXUYRPIV-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054421 1182870129 /nfs/dbraw/zinc/87/01/29/1182870129.db2.gz WWHGCLBDOVITAY-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893054421 1182870130 /nfs/dbraw/zinc/87/01/30/1182870130.db2.gz WWHGCLBDOVITAY-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893054421 1182870133 /nfs/dbraw/zinc/87/01/33/1182870133.db2.gz WWHGCLBDOVITAY-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001104793631 1182923630 /nfs/dbraw/zinc/92/36/30/1182923630.db2.gz COGCMOFSIPFEKW-OIISXLGYSA-N 2 1 361.490 0.934 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001104793809 1182924227 /nfs/dbraw/zinc/92/42/27/1182924227.db2.gz JIAQFGKQYQKOMV-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001104794090 1182924309 /nfs/dbraw/zinc/92/43/09/1182924309.db2.gz YQBMERBWJKCOBX-IXDOHACOSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001481231697 1182926771 /nfs/dbraw/zinc/92/67/71/1182926771.db2.gz LZDYHYFEGIGVSJ-YNEHKIRRSA-N 2 1 353.492 0.858 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCCO)CC3)C2)O1 ZINC001098609681 1182962706 /nfs/dbraw/zinc/96/27/06/1182962706.db2.gz DJSRFRVGILKIFU-IXDOHACOSA-N 2 1 369.506 0.170 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCCO)CC3)C2)O1 ZINC001098609681 1182962715 /nfs/dbraw/zinc/96/27/15/1182962715.db2.gz DJSRFRVGILKIFU-IXDOHACOSA-N 2 1 369.506 0.170 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104874257 1182970386 /nfs/dbraw/zinc/97/03/86/1182970386.db2.gz QQJJTPAEESUIMH-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974224659 1183059974 /nfs/dbraw/zinc/05/99/74/1183059974.db2.gz AHXNHNPKGSZNJF-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974224659 1183059978 /nfs/dbraw/zinc/05/99/78/1183059978.db2.gz AHXNHNPKGSZNJF-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974224659 1183059986 /nfs/dbraw/zinc/05/99/86/1183059986.db2.gz AHXNHNPKGSZNJF-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974224659 1183059991 /nfs/dbraw/zinc/05/99/91/1183059991.db2.gz AHXNHNPKGSZNJF-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001105007788 1183066001 /nfs/dbraw/zinc/06/60/01/1183066001.db2.gz GFDGXRIFWZDSDC-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001105007788 1183066007 /nfs/dbraw/zinc/06/60/07/1183066007.db2.gz GFDGXRIFWZDSDC-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001105017280 1183071035 /nfs/dbraw/zinc/07/10/35/1183071035.db2.gz YLDOYMXHIMYJTB-GDBMZVCRSA-N 2 1 362.478 0.291 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040370 1183087860 /nfs/dbraw/zinc/08/78/60/1183087860.db2.gz IFBKTHSGRMLMRO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040370 1183087868 /nfs/dbraw/zinc/08/78/68/1183087868.db2.gz IFBKTHSGRMLMRO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)C1 ZINC001105042266 1183089546 /nfs/dbraw/zinc/08/95/46/1183089546.db2.gz UKZMINLUYGWLOA-KURKYZTESA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)C1 ZINC001105042266 1183089554 /nfs/dbraw/zinc/08/95/54/1183089554.db2.gz UKZMINLUYGWLOA-KURKYZTESA-N 2 1 363.506 0.678 20 0 FCADMP CCc1nc(CNC2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001026514326 1183145328 /nfs/dbraw/zinc/14/53/28/1183145328.db2.gz AEMAHKZDEWDPER-XSCHDIRWSA-N 2 1 365.478 0.868 20 0 FCADMP CCc1nc(CNC2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001026514326 1183145332 /nfs/dbraw/zinc/14/53/32/1183145332.db2.gz AEMAHKZDEWDPER-XSCHDIRWSA-N 2 1 365.478 0.868 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000974540563 1183312392 /nfs/dbraw/zinc/31/23/92/1183312392.db2.gz FOBKOEMKAWHYJM-HZPDHXFCSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000974545494 1183328257 /nfs/dbraw/zinc/32/82/57/1183328257.db2.gz UMULBHNSEBHORC-IAGOWNOFSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(=O)N3CCOCC3)CC2(C)C)CC[N@@H+]1C ZINC000974605903 1183380182 /nfs/dbraw/zinc/38/01/82/1183380182.db2.gz ORXNSABVGYSPOA-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(=O)N3CCOCC3)CC2(C)C)CC[N@H+]1C ZINC000974605903 1183380190 /nfs/dbraw/zinc/38/01/90/1183380190.db2.gz ORXNSABVGYSPOA-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CC(=O)N3CCOCC3)CC2(C)C)CC[NH+]1C ZINC000974605903 1183380195 /nfs/dbraw/zinc/38/01/95/1183380195.db2.gz ORXNSABVGYSPOA-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CC2(C)C)CC[NH+]1C ZINC000974605903 1183380200 /nfs/dbraw/zinc/38/02/00/1183380200.db2.gz ORXNSABVGYSPOA-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CNCc3noc(C4CC4)n3)C2)O1 ZINC001026913476 1183489366 /nfs/dbraw/zinc/48/93/66/1183489366.db2.gz AGNQDCZEBUDSRJ-UMVBOHGHSA-N 2 1 363.462 0.604 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC000975214433 1183777222 /nfs/dbraw/zinc/77/72/22/1183777222.db2.gz ASUIORBNZYUVRJ-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)C1 ZINC000975214433 1183777226 /nfs/dbraw/zinc/77/72/26/1183777226.db2.gz ASUIORBNZYUVRJ-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)C1 ZINC000975214433 1183777231 /nfs/dbraw/zinc/77/72/31/1183777231.db2.gz ASUIORBNZYUVRJ-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975216111 1183778999 /nfs/dbraw/zinc/77/89/99/1183778999.db2.gz YAMYTCFLQHCABI-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975216111 1183779000 /nfs/dbraw/zinc/77/90/00/1183779000.db2.gz YAMYTCFLQHCABI-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC000975624073 1183963111 /nfs/dbraw/zinc/96/31/11/1183963111.db2.gz PRQXFLGNKVNVLF-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC000975624073 1183963123 /nfs/dbraw/zinc/96/31/23/1183963123.db2.gz PRQXFLGNKVNVLF-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975718521 1185636418 /nfs/dbraw/zinc/63/64/18/1185636418.db2.gz IPNPWDYSLBBFPV-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975718521 1185636429 /nfs/dbraw/zinc/63/64/29/1185636429.db2.gz IPNPWDYSLBBFPV-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000981649460 1186472843 /nfs/dbraw/zinc/47/28/43/1186472843.db2.gz GJUJBKOEUGIOTE-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000981649460 1186472849 /nfs/dbraw/zinc/47/28/49/1186472849.db2.gz GJUJBKOEUGIOTE-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCNC4=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282675 1186696918 /nfs/dbraw/zinc/69/69/18/1186696918.db2.gz FFBRAKGFHFPBBA-STNJDDFNSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@H]4CCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282675 1186696921 /nfs/dbraw/zinc/69/69/21/1186696921.db2.gz FFBRAKGFHFPBBA-STNJDDFNSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+]([C@H]4CCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282675 1186696927 /nfs/dbraw/zinc/69/69/27/1186696927.db2.gz FFBRAKGFHFPBBA-STNJDDFNSA-N 2 1 362.518 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211713497 1186698750 /nfs/dbraw/zinc/69/87/50/1186698750.db2.gz NMYMEOFCIJXNGP-RBUKOAKNSA-N 2 1 363.502 0.921 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723225 1187471612 /nfs/dbraw/zinc/47/16/12/1187471612.db2.gz RIBZNZGECNRIOW-JCGIZDLHSA-N 2 1 369.469 0.910 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)C1 ZINC001211726327 1187485725 /nfs/dbraw/zinc/48/57/25/1187485725.db2.gz VZDSVEYUJFSMNE-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)C1 ZINC001211726327 1187485727 /nfs/dbraw/zinc/48/57/27/1187485727.db2.gz VZDSVEYUJFSMNE-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740147 1187513226 /nfs/dbraw/zinc/51/32/26/1187513226.db2.gz CPJXELISHLNYNC-ZWKOTPCHSA-N 2 1 367.538 0.253 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cn1 ZINC000893871301 1187519545 /nfs/dbraw/zinc/51/95/45/1187519545.db2.gz JJKVTRLNZOXNGK-CVEARBPZSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)nc1 ZINC000893871301 1187519550 /nfs/dbraw/zinc/51/95/50/1187519550.db2.gz JJKVTRLNZOXNGK-CVEARBPZSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)nc1 ZINC000893871301 1187519555 /nfs/dbraw/zinc/51/95/55/1187519555.db2.gz JJKVTRLNZOXNGK-CVEARBPZSA-N 2 1 359.474 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3nc(C4CC4)nn3C)C2)CC[N@H+]1C ZINC001028548437 1187601086 /nfs/dbraw/zinc/60/10/86/1187601086.db2.gz AKCHJFJBEKYISG-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001270118870 1188020236 /nfs/dbraw/zinc/02/02/36/1188020236.db2.gz WIMZQJBVDJCWHT-IIAWOOMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001270118870 1188020241 /nfs/dbraw/zinc/02/02/41/1188020241.db2.gz WIMZQJBVDJCWHT-IIAWOOMASA-N 2 1 363.510 0.830 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001270175950 1188040377 /nfs/dbraw/zinc/04/03/77/1188040377.db2.gz PWVDWUDCMGFLCN-FQEVSTJZSA-N 2 1 367.534 0.920 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001270175950 1188040384 /nfs/dbraw/zinc/04/03/84/1188040384.db2.gz PWVDWUDCMGFLCN-FQEVSTJZSA-N 2 1 367.534 0.920 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001270175939 1188040431 /nfs/dbraw/zinc/04/04/31/1188040431.db2.gz PQLODZXUMSKFFS-UHFFFAOYSA-N 2 1 364.490 0.116 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001270175939 1188040434 /nfs/dbraw/zinc/04/04/34/1188040434.db2.gz PQLODZXUMSKFFS-UHFFFAOYSA-N 2 1 364.490 0.116 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4c[nH+]cn43)C2)C1=O ZINC001270287169 1188081377 /nfs/dbraw/zinc/08/13/77/1188081377.db2.gz VYRASZLJKGMRAX-LPHOPBHVSA-N 2 1 359.474 0.773 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000550016772 1188163612 /nfs/dbraw/zinc/16/36/12/1188163612.db2.gz FGUNKYPRHXGOJN-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030737 1188213195 /nfs/dbraw/zinc/21/31/95/1188213195.db2.gz MQWNRXLZXPHMRD-QAPCUYQASA-N 2 1 374.485 0.767 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000785400006 1188221006 /nfs/dbraw/zinc/22/10/06/1188221006.db2.gz SNTVPNMBEAORMZ-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601915 1188235395 /nfs/dbraw/zinc/23/53/95/1188235395.db2.gz NMAQPWMMYZRUQI-SJORKVTESA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000894601915 1188235398 /nfs/dbraw/zinc/23/53/98/1188235398.db2.gz NMAQPWMMYZRUQI-SJORKVTESA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000894601915 1188235400 /nfs/dbraw/zinc/23/54/00/1188235400.db2.gz NMAQPWMMYZRUQI-SJORKVTESA-N 2 1 367.538 0.253 20 0 FCADMP C[C@@H]([NH2+]Cc1ccn(C)n1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112181 1188293550 /nfs/dbraw/zinc/29/35/50/1188293550.db2.gz XCUPKHGPYPMLHF-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]([NH2+]Cc1ccn(C)n1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112181 1188293554 /nfs/dbraw/zinc/29/35/54/1188293554.db2.gz XCUPKHGPYPMLHF-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000937415387 1188302458 /nfs/dbraw/zinc/30/24/58/1188302458.db2.gz JQISWUFVDQUSIG-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075798533 1188422635 /nfs/dbraw/zinc/42/26/35/1188422635.db2.gz FBXWRTOXMLICJK-RYQLBKOJSA-N 2 1 371.485 0.860 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075798533 1188422638 /nfs/dbraw/zinc/42/26/38/1188422638.db2.gz FBXWRTOXMLICJK-RYQLBKOJSA-N 2 1 371.485 0.860 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000984015296 1189372720 /nfs/dbraw/zinc/37/27/20/1189372720.db2.gz OJGDUIXKQZEZGF-ATNYBXOESA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000984015296 1189372725 /nfs/dbraw/zinc/37/27/25/1189372725.db2.gz OJGDUIXKQZEZGF-ATNYBXOESA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001029313645 1189373685 /nfs/dbraw/zinc/37/36/85/1189373685.db2.gz IXAFJNNSDZAZOY-MDMSPXHWSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001029313645 1189373692 /nfs/dbraw/zinc/37/36/92/1189373692.db2.gz IXAFJNNSDZAZOY-MDMSPXHWSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001029313645 1189373699 /nfs/dbraw/zinc/37/36/99/1189373699.db2.gz IXAFJNNSDZAZOY-MDMSPXHWSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001029313687 1189373840 /nfs/dbraw/zinc/37/38/40/1189373840.db2.gz KKJDCCPFBGOPTF-LVQVYYBASA-N 2 1 362.474 0.151 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001029313687 1189373847 /nfs/dbraw/zinc/37/38/47/1189373847.db2.gz KKJDCCPFBGOPTF-LVQVYYBASA-N 2 1 362.474 0.151 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001029313687 1189373850 /nfs/dbraw/zinc/37/38/50/1189373850.db2.gz KKJDCCPFBGOPTF-LVQVYYBASA-N 2 1 362.474 0.151 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001029313687 1189373853 /nfs/dbraw/zinc/37/38/53/1189373853.db2.gz KKJDCCPFBGOPTF-LVQVYYBASA-N 2 1 362.474 0.151 20 0 FCADMP CCn1nc(C)c(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075809110 1189464104 /nfs/dbraw/zinc/46/41/04/1189464104.db2.gz TVKJVQBSRIFZLP-KYHPRHEASA-N 2 1 360.506 0.979 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000550457946 1189503342 /nfs/dbraw/zinc/50/33/42/1189503342.db2.gz IVFWZCQRXNCREC-KRWDZBQOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(=O)N(C)C ZINC001087576679 1189616351 /nfs/dbraw/zinc/61/63/51/1189616351.db2.gz WHGHBGRLBGZXNN-GOEBONIOSA-N 2 1 364.494 0.116 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(=O)N(C)C ZINC001087576679 1189616360 /nfs/dbraw/zinc/61/63/60/1189616360.db2.gz WHGHBGRLBGZXNN-GOEBONIOSA-N 2 1 364.494 0.116 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001087799361 1189829154 /nfs/dbraw/zinc/82/91/54/1189829154.db2.gz QBRSLDHRNCFNLP-OWCLPIDISA-N 2 1 358.490 0.830 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087830021 1189842612 /nfs/dbraw/zinc/84/26/12/1189842612.db2.gz ILLNKYYVGUORIM-YESZJQIVSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087830021 1189842613 /nfs/dbraw/zinc/84/26/13/1189842613.db2.gz ILLNKYYVGUORIM-YESZJQIVSA-N 2 1 360.462 0.418 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908866 1189895173 /nfs/dbraw/zinc/89/51/73/1189895173.db2.gz PQJYLMMUUWNTSP-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908866 1189895174 /nfs/dbraw/zinc/89/51/74/1189895174.db2.gz PQJYLMMUUWNTSP-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087908866 1189895175 /nfs/dbraw/zinc/89/51/75/1189895175.db2.gz PQJYLMMUUWNTSP-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1cnc2cc(C(=O)N3C[C@@H]4C[N@@H+]([C@H]5CCNC5=O)CC[C@@H]4C3)ccn12 ZINC001087966801 1190020855 /nfs/dbraw/zinc/02/08/55/1190020855.db2.gz WFCJGJWOBOWOLA-IKGGRYGDSA-N 2 1 367.453 0.925 20 0 FCADMP Cc1cnc2cc(C(=O)N3C[C@H]4CCN([C@H]5CCNC5=O)C[C@H]4C3)ccn12 ZINC001087966801 1190020863 /nfs/dbraw/zinc/02/08/63/1190020863.db2.gz WFCJGJWOBOWOLA-IKGGRYGDSA-N 2 1 367.453 0.925 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)nn1 ZINC001087967711 1190025200 /nfs/dbraw/zinc/02/52/00/1190025200.db2.gz IABKXHFCHMYMDW-RYRKJORJSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)nn1 ZINC001087967711 1190025205 /nfs/dbraw/zinc/02/52/05/1190025205.db2.gz IABKXHFCHMYMDW-RYRKJORJSA-N 2 1 358.490 0.437 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972357 1190034013 /nfs/dbraw/zinc/03/40/13/1190034013.db2.gz YUKIOYXSSDDKAZ-VSZNYVQBSA-N 2 1 360.506 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972357 1190034019 /nfs/dbraw/zinc/03/40/19/1190034019.db2.gz YUKIOYXSSDDKAZ-VSZNYVQBSA-N 2 1 360.506 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972357 1190034022 /nfs/dbraw/zinc/03/40/22/1190034022.db2.gz YUKIOYXSSDDKAZ-VSZNYVQBSA-N 2 1 360.506 0.789 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467450 1190062449 /nfs/dbraw/zinc/06/24/49/1190062449.db2.gz DGOIWCWVXOQYBR-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896467450 1190062452 /nfs/dbraw/zinc/06/24/52/1190062452.db2.gz DGOIWCWVXOQYBR-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896467450 1190062456 /nfs/dbraw/zinc/06/24/56/1190062456.db2.gz DGOIWCWVXOQYBR-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000896468582 1190063853 /nfs/dbraw/zinc/06/38/53/1190063853.db2.gz QABZAXPMKVCSFS-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000896468582 1190063858 /nfs/dbraw/zinc/06/38/58/1190063858.db2.gz QABZAXPMKVCSFS-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000896468582 1190063867 /nfs/dbraw/zinc/06/38/67/1190063867.db2.gz QABZAXPMKVCSFS-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986262 1190115500 /nfs/dbraw/zinc/11/55/00/1190115500.db2.gz DGLHZKUZSILRHK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986262 1190115506 /nfs/dbraw/zinc/11/55/06/1190115506.db2.gz DGLHZKUZSILRHK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986262 1190115507 /nfs/dbraw/zinc/11/55/07/1190115507.db2.gz DGLHZKUZSILRHK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986262 1190115509 /nfs/dbraw/zinc/11/55/09/1190115509.db2.gz DGLHZKUZSILRHK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986444 1190116161 /nfs/dbraw/zinc/11/61/61/1190116161.db2.gz LLLJYNYARFXJRJ-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986444 1190116164 /nfs/dbraw/zinc/11/61/64/1190116164.db2.gz LLLJYNYARFXJRJ-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986444 1190116169 /nfs/dbraw/zinc/11/61/69/1190116169.db2.gz LLLJYNYARFXJRJ-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993746 1190144978 /nfs/dbraw/zinc/14/49/78/1190144978.db2.gz AWTPWPSZPFJSSI-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993746 1190144985 /nfs/dbraw/zinc/14/49/85/1190144985.db2.gz AWTPWPSZPFJSSI-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993746 1190144989 /nfs/dbraw/zinc/14/49/89/1190144989.db2.gz AWTPWPSZPFJSSI-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP O=C([C@@H]1CCn2cncc2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088016983 1190226351 /nfs/dbraw/zinc/22/63/51/1190226351.db2.gz FKWYURPMLDHQQG-ZACQAIPSSA-N 2 1 369.473 0.518 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088023323 1190246520 /nfs/dbraw/zinc/24/65/20/1190246520.db2.gz YMFADCNNJOJOMB-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088023323 1190246525 /nfs/dbraw/zinc/24/65/25/1190246525.db2.gz YMFADCNNJOJOMB-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064206 1190340771 /nfs/dbraw/zinc/34/07/71/1190340771.db2.gz RNONDFYNUWAHPL-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1ncnc1CN1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106332 1190588010 /nfs/dbraw/zinc/58/80/10/1190588010.db2.gz WFUHREZGLFYMQO-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125286 1190621151 /nfs/dbraw/zinc/62/11/51/1190621151.db2.gz CARGIJGJHRDYEX-XHSDSOJGSA-N 2 1 361.490 0.921 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125286 1190621154 /nfs/dbraw/zinc/62/11/54/1190621154.db2.gz CARGIJGJHRDYEX-XHSDSOJGSA-N 2 1 361.490 0.921 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1)[NH+](C)C ZINC000986132393 1190902741 /nfs/dbraw/zinc/90/27/41/1190902741.db2.gz DYFQBYGLMFFGET-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000986334775 1190958748 /nfs/dbraw/zinc/95/87/48/1190958748.db2.gz ZASDLCWYFHMHOP-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000986402517 1190982061 /nfs/dbraw/zinc/98/20/61/1190982061.db2.gz CIHILGCTVQJLFQ-SJORKVTESA-N 2 1 371.485 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986428907 1190988052 /nfs/dbraw/zinc/98/80/52/1190988052.db2.gz UFVSFLFFDLWGHA-SJORKVTESA-N 2 1 371.485 0.594 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2C1 ZINC000986576861 1191044644 /nfs/dbraw/zinc/04/46/44/1191044644.db2.gz KYSYUMRUFJJXLN-OAGGEKHMSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@H]1C[NH+](CCc2nnc([C@@H]3COC(C)(C)N3C(=O)C[NH3+])o2)C[C@H](C)O1 ZINC001217755777 1224125614 /nfs/dbraw/zinc/12/56/14/1224125614.db2.gz FGUWMNJYSVIFQU-AVGNSLFASA-N 2 1 367.450 0.316 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001088574601 1191213476 /nfs/dbraw/zinc/21/34/76/1191213476.db2.gz DUXUFVIVXBEYHX-ZBFHGGJFSA-N 2 1 359.478 0.571 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1cnn(C)c1 ZINC001088574601 1191213478 /nfs/dbraw/zinc/21/34/78/1191213478.db2.gz DUXUFVIVXBEYHX-ZBFHGGJFSA-N 2 1 359.478 0.571 20 0 FCADMP COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc12 ZINC001218081083 1224139103 /nfs/dbraw/zinc/13/91/03/1224139103.db2.gz BIXMGFCEOBRBKM-HALQFCHDSA-N 2 1 359.426 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000550653331 1193724810 /nfs/dbraw/zinc/72/48/10/1193724810.db2.gz ALDSDDKPCOSXKJ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000550653331 1193724814 /nfs/dbraw/zinc/72/48/14/1193724814.db2.gz ALDSDDKPCOSXKJ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000550653331 1193724819 /nfs/dbraw/zinc/72/48/19/1193724819.db2.gz ALDSDDKPCOSXKJ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000550653331 1193724825 /nfs/dbraw/zinc/72/48/25/1193724825.db2.gz ALDSDDKPCOSXKJ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000550664704 1193729443 /nfs/dbraw/zinc/72/94/43/1193729443.db2.gz VYQINTDJBZCDPY-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000550664704 1193729446 /nfs/dbraw/zinc/72/94/46/1193729446.db2.gz VYQINTDJBZCDPY-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664704 1193729448 /nfs/dbraw/zinc/72/94/48/1193729448.db2.gz VYQINTDJBZCDPY-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664704 1193729453 /nfs/dbraw/zinc/72/94/53/1193729453.db2.gz VYQINTDJBZCDPY-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000550901433 1193819360 /nfs/dbraw/zinc/81/93/60/1193819360.db2.gz HTVKGXUIDQZOTL-WBVHZDCISA-N 2 1 362.518 0.777 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000550945797 1193821920 /nfs/dbraw/zinc/82/19/20/1193821920.db2.gz GVTQVGXBJCTZQV-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551166712 1193838567 /nfs/dbraw/zinc/83/85/67/1193838567.db2.gz USTAPXASBZPTLH-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP O=C(NCCc1cn2c(n1)CCCC2)C(=O)N1CCN(C2CCCC2)CC1 ZINC000551334612 1193850405 /nfs/dbraw/zinc/85/04/05/1193850405.db2.gz XFMHQAXMFQCBHP-UHFFFAOYSA-N 2 1 373.501 0.965 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218558147 1224172379 /nfs/dbraw/zinc/17/23/79/1224172379.db2.gz VNRUXFAKNISDTK-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694707 1193867210 /nfs/dbraw/zinc/86/72/10/1193867210.db2.gz WMHSNIUZNGZOJI-SJORKVTESA-N 3 1 369.554 0.175 20 0 FCADMP Cc1cnc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756962 1193890841 /nfs/dbraw/zinc/89/08/41/1193890841.db2.gz BNNLALJEZLBIBJ-AHZKFYHPSA-N 2 1 371.485 0.727 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC1CCOCC1 ZINC001088757073 1193891412 /nfs/dbraw/zinc/89/14/12/1193891412.db2.gz HKLKWJZTFQEIQW-LKGSSIFKSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CC1CCOCC1 ZINC001088757073 1193891415 /nfs/dbraw/zinc/89/14/15/1193891415.db2.gz HKLKWJZTFQEIQW-LKGSSIFKSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC1CCOCC1 ZINC001088757073 1193891416 /nfs/dbraw/zinc/89/14/16/1193891416.db2.gz HKLKWJZTFQEIQW-LKGSSIFKSA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001088757125 1193891468 /nfs/dbraw/zinc/89/14/68/1193891468.db2.gz JXEDTTWPRJFDLN-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1cnn(C)c1 ZINC001088757125 1193891471 /nfs/dbraw/zinc/89/14/71/1193891471.db2.gz JXEDTTWPRJFDLN-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cnn(C)c1 ZINC001088757125 1193891472 /nfs/dbraw/zinc/89/14/72/1193891472.db2.gz JXEDTTWPRJFDLN-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cnn(C)c1 ZINC001088757125 1193891473 /nfs/dbraw/zinc/89/14/73/1193891473.db2.gz JXEDTTWPRJFDLN-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1cncn1C ZINC001088757157 1193891676 /nfs/dbraw/zinc/89/16/76/1193891676.db2.gz LMWGYCSXNRUZRS-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1cncn1C ZINC001088757157 1193891677 /nfs/dbraw/zinc/89/16/77/1193891677.db2.gz LMWGYCSXNRUZRS-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cncn1C ZINC001088757157 1193891678 /nfs/dbraw/zinc/89/16/78/1193891678.db2.gz LMWGYCSXNRUZRS-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cncn1C ZINC001088757157 1193891680 /nfs/dbraw/zinc/89/16/80/1193891680.db2.gz LMWGYCSXNRUZRS-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP Cc1nocc1CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757418 1193892155 /nfs/dbraw/zinc/89/21/55/1193892155.db2.gz YENBLZMRKSTGLW-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757418 1193892157 /nfs/dbraw/zinc/89/21/57/1193892157.db2.gz YENBLZMRKSTGLW-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757418 1193892160 /nfs/dbraw/zinc/89/21/60/1193892160.db2.gz YENBLZMRKSTGLW-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757418 1193892162 /nfs/dbraw/zinc/89/21/62/1193892162.db2.gz YENBLZMRKSTGLW-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)CC[N@@H+]1C ZINC001083472458 1193900516 /nfs/dbraw/zinc/90/05/16/1193900516.db2.gz ZBJFDNVVDGDGMI-SRABZTEZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)CC[N@H+]1C ZINC001083472458 1193900525 /nfs/dbraw/zinc/90/05/25/1193900525.db2.gz ZBJFDNVVDGDGMI-SRABZTEZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)CC[NH+]1C ZINC001083472458 1193900532 /nfs/dbraw/zinc/90/05/32/1193900532.db2.gz ZBJFDNVVDGDGMI-SRABZTEZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)CC[NH+]1C ZINC001083472458 1193900535 /nfs/dbraw/zinc/90/05/35/1193900535.db2.gz ZBJFDNVVDGDGMI-SRABZTEZSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC001218579567 1224176877 /nfs/dbraw/zinc/17/68/77/1224176877.db2.gz FRAOLNDUIFKOFK-RDJZCZTQSA-N 2 1 373.505 0.241 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@@H]21 ZINC001218582843 1224177997 /nfs/dbraw/zinc/17/79/97/1224177997.db2.gz VHXWHJWPQYHHRQ-OKZBNKHCSA-N 2 1 365.449 0.722 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@@H]21 ZINC001218582843 1224178001 /nfs/dbraw/zinc/17/80/01/1224178001.db2.gz VHXWHJWPQYHHRQ-OKZBNKHCSA-N 2 1 365.449 0.722 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000552537685 1193937378 /nfs/dbraw/zinc/93/73/78/1193937378.db2.gz MNITYONTUUWGLJ-INIZCTEOSA-N 2 1 368.522 0.309 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552750409 1193949860 /nfs/dbraw/zinc/94/98/60/1193949860.db2.gz XHFSBEGBOOSXAO-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105668647 1193953623 /nfs/dbraw/zinc/95/36/23/1193953623.db2.gz XZSMQCHDSNDAIR-VVWQDTPRSA-N 2 1 368.522 0.170 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000552969876 1193962199 /nfs/dbraw/zinc/96/21/99/1193962199.db2.gz VRUMNDPZSHTEOM-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000553035520 1193966538 /nfs/dbraw/zinc/96/65/38/1193966538.db2.gz LGDVMZMWEDDDQC-OAHLLOKOSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000553035520 1193966540 /nfs/dbraw/zinc/96/65/40/1193966540.db2.gz LGDVMZMWEDDDQC-OAHLLOKOSA-N 2 1 359.474 0.638 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1=O ZINC000553168790 1193976212 /nfs/dbraw/zinc/97/62/12/1193976212.db2.gz VJPNPGKSOHDWGD-KRWDZBQOSA-N 2 1 358.486 0.739 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000553353883 1193991591 /nfs/dbraw/zinc/99/15/91/1193991591.db2.gz GWOWLTVNUBLSHP-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000553353883 1193991595 /nfs/dbraw/zinc/99/15/95/1193991595.db2.gz GWOWLTVNUBLSHP-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000553353883 1193991599 /nfs/dbraw/zinc/99/15/99/1193991599.db2.gz GWOWLTVNUBLSHP-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000553353883 1193991602 /nfs/dbraw/zinc/99/16/02/1193991602.db2.gz GWOWLTVNUBLSHP-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735637 1194017614 /nfs/dbraw/zinc/01/76/14/1194017614.db2.gz WPIJLSGHECXZTF-IRXDYDNUSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814771 1194092169 /nfs/dbraw/zinc/09/21/69/1194092169.db2.gz IYCYRJSIMPMRAW-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814771 1194092171 /nfs/dbraw/zinc/09/21/71/1194092171.db2.gz IYCYRJSIMPMRAW-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP Cc1noc(C[C@H]2CCC[N@@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247746 1194126363 /nfs/dbraw/zinc/12/63/63/1194126363.db2.gz RGBAOYFZALTZMM-CABCVRRESA-N 2 1 363.462 0.712 20 0 FCADMP Cc1noc(C[C@H]2CCC[N@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247746 1194126366 /nfs/dbraw/zinc/12/63/66/1194126366.db2.gz RGBAOYFZALTZMM-CABCVRRESA-N 2 1 363.462 0.712 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524142 1194155614 /nfs/dbraw/zinc/15/56/14/1194155614.db2.gz JLGMORXJGIAALS-KSZLIROESA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524142 1194155621 /nfs/dbraw/zinc/15/56/21/1194155621.db2.gz JLGMORXJGIAALS-KSZLIROESA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524142 1194155627 /nfs/dbraw/zinc/15/56/27/1194155627.db2.gz JLGMORXJGIAALS-KSZLIROESA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524142 1194155633 /nfs/dbraw/zinc/15/56/33/1194155633.db2.gz JLGMORXJGIAALS-KSZLIROESA-N 2 1 363.506 0.653 20 0 FCADMP CC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794354 1224208174 /nfs/dbraw/zinc/20/81/74/1224208174.db2.gz HRIHURKQSISFCJ-ZXYWRSMDSA-N 2 1 367.490 0.554 20 0 FCADMP CC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794354 1224208183 /nfs/dbraw/zinc/20/81/83/1224208183.db2.gz HRIHURKQSISFCJ-ZXYWRSMDSA-N 2 1 367.490 0.554 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[NH+]4C)[C@@H]3C2)n1 ZINC001076144747 1194328221 /nfs/dbraw/zinc/32/82/21/1194328221.db2.gz GVXCFVQEDQZGAT-OKZBNKHCSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[NH+]4C)[C@@H]3C2)n1 ZINC001076144747 1194328225 /nfs/dbraw/zinc/32/82/25/1194328225.db2.gz GVXCFVQEDQZGAT-OKZBNKHCSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001076186216 1194344414 /nfs/dbraw/zinc/34/44/14/1194344414.db2.gz ARZQCJCITGNARF-LZLYRXPVSA-N 2 1 369.473 0.578 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001076186216 1194344419 /nfs/dbraw/zinc/34/44/19/1194344419.db2.gz ARZQCJCITGNARF-LZLYRXPVSA-N 2 1 369.473 0.578 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076418492 1194465582 /nfs/dbraw/zinc/46/55/82/1194465582.db2.gz ADAPYYWURIFHIB-RCCFBDPRSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462365 1194507398 /nfs/dbraw/zinc/50/73/98/1194507398.db2.gz RSAVGPAAHLTQDE-FGTMMUONSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462365 1194507408 /nfs/dbraw/zinc/50/74/08/1194507408.db2.gz RSAVGPAAHLTQDE-FGTMMUONSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462365 1194507419 /nfs/dbraw/zinc/50/74/19/1194507419.db2.gz RSAVGPAAHLTQDE-FGTMMUONSA-N 2 1 360.506 0.769 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2 ZINC001276798474 1224250459 /nfs/dbraw/zinc/25/04/59/1224250459.db2.gz DKCHPUHECYLLIL-VQIMIIECSA-N 2 1 371.522 0.275 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)COCC(C)C)C[C@@H]21 ZINC001218905752 1224252818 /nfs/dbraw/zinc/25/28/18/1224252818.db2.gz XYNIMRMUZWVTKO-OKZBNKHCSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]21 ZINC001218905752 1224252825 /nfs/dbraw/zinc/25/28/25/1224252825.db2.gz XYNIMRMUZWVTKO-OKZBNKHCSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]21 ZINC001218905752 1224252830 /nfs/dbraw/zinc/25/28/30/1224252830.db2.gz XYNIMRMUZWVTKO-OKZBNKHCSA-N 2 1 371.522 0.273 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218918625 1224256870 /nfs/dbraw/zinc/25/68/70/1224256870.db2.gz IDNHAURHOUQNTD-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218918625 1224256880 /nfs/dbraw/zinc/25/68/80/1224256880.db2.gz IDNHAURHOUQNTD-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218918625 1224256888 /nfs/dbraw/zinc/25/68/88/1224256888.db2.gz IDNHAURHOUQNTD-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001076986035 1195114696 /nfs/dbraw/zinc/11/46/96/1195114696.db2.gz HUVVUPCMVDBBRV-BZUAXINKSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001076986035 1195114703 /nfs/dbraw/zinc/11/47/03/1195114703.db2.gz HUVVUPCMVDBBRV-BZUAXINKSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076986035 1195114707 /nfs/dbraw/zinc/11/47/07/1195114707.db2.gz HUVVUPCMVDBBRV-BZUAXINKSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076986035 1195114716 /nfs/dbraw/zinc/11/47/16/1195114716.db2.gz HUVVUPCMVDBBRV-BZUAXINKSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001076987075 1195117320 /nfs/dbraw/zinc/11/73/20/1195117320.db2.gz BKIOKXVZSVAUMA-FGTMMUONSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001076987075 1195117326 /nfs/dbraw/zinc/11/73/26/1195117326.db2.gz BKIOKXVZSVAUMA-FGTMMUONSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076987075 1195117331 /nfs/dbraw/zinc/11/73/31/1195117331.db2.gz BKIOKXVZSVAUMA-FGTMMUONSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076987075 1195117337 /nfs/dbraw/zinc/11/73/37/1195117337.db2.gz BKIOKXVZSVAUMA-FGTMMUONSA-N 2 1 363.506 0.534 20 0 FCADMP COc1cccc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300745 /nfs/dbraw/zinc/30/07/45/1195300745.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 1 363.458 0.076 20 0 FCADMP COc1cccc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300749 /nfs/dbraw/zinc/30/07/49/1195300749.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 1 363.458 0.076 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280574 1195381327 /nfs/dbraw/zinc/38/13/27/1195381327.db2.gz DKSHIDLTNKPAKI-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280574 1195381330 /nfs/dbraw/zinc/38/13/30/1195381330.db2.gz DKSHIDLTNKPAKI-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280574 1195381336 /nfs/dbraw/zinc/38/13/36/1195381336.db2.gz DKSHIDLTNKPAKI-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280574 1195381337 /nfs/dbraw/zinc/38/13/37/1195381337.db2.gz DKSHIDLTNKPAKI-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219004251 1224284629 /nfs/dbraw/zinc/28/46/29/1224284629.db2.gz CETGFADTTGMFIV-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001219002764 1224282464 /nfs/dbraw/zinc/28/24/64/1224282464.db2.gz BHQKPVFSNKEIRD-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001219002764 1224282466 /nfs/dbraw/zinc/28/24/66/1224282466.db2.gz BHQKPVFSNKEIRD-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1=O ZINC001077396146 1195495373 /nfs/dbraw/zinc/49/53/73/1195495373.db2.gz QIIOLSFSGQRCMM-IAGOWNOFSA-N 2 1 367.409 0.008 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1=O ZINC001077396146 1195495379 /nfs/dbraw/zinc/49/53/79/1195495379.db2.gz QIIOLSFSGQRCMM-IAGOWNOFSA-N 2 1 367.409 0.008 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CC[NH2+]CC1 ZINC000904300167 1195530382 /nfs/dbraw/zinc/53/03/82/1195530382.db2.gz XPZRXRUJAFVSOJ-MRXNPFEDSA-N 2 1 361.490 0.333 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CCNCC1 ZINC000904300167 1195530387 /nfs/dbraw/zinc/53/03/87/1195530387.db2.gz XPZRXRUJAFVSOJ-MRXNPFEDSA-N 2 1 361.490 0.333 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1)N1CCNCC1 ZINC000904300167 1195530397 /nfs/dbraw/zinc/53/03/97/1195530397.db2.gz XPZRXRUJAFVSOJ-MRXNPFEDSA-N 2 1 361.490 0.333 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)cc2C1 ZINC000904509195 1195540286 /nfs/dbraw/zinc/54/02/86/1195540286.db2.gz DORPBMVIYTWPEA-JLSDUUJJSA-N 2 1 359.474 0.961 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)no1 ZINC001083590551 1195585609 /nfs/dbraw/zinc/58/56/09/1195585609.db2.gz KLSJIFQPFQINCP-MSOLQXFVSA-N 2 1 358.442 0.754 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@@H]2CN(CCc3ccccc3)C[C@@H]2O)no1 ZINC001083590551 1195585615 /nfs/dbraw/zinc/58/56/15/1195585615.db2.gz KLSJIFQPFQINCP-MSOLQXFVSA-N 2 1 358.442 0.754 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591766 1195593209 /nfs/dbraw/zinc/59/32/09/1195593209.db2.gz VWAXTQPCEKLWOT-JQHSSLGASA-N 2 1 358.442 0.987 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(OC)cc(OC)n1 ZINC000906487766 1195632610 /nfs/dbraw/zinc/63/26/10/1195632610.db2.gz HIRCXOOTORLSPL-AWEZNQCLSA-N 2 1 365.478 0.982 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000906798922 1195667080 /nfs/dbraw/zinc/66/70/80/1195667080.db2.gz XMFVKWYDPCHEDX-HNNXBMFYSA-N 2 1 364.494 0.621 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000906798923 1195667358 /nfs/dbraw/zinc/66/73/58/1195667358.db2.gz XMFVKWYDPCHEDX-OAHLLOKOSA-N 2 1 364.494 0.621 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155827 1195681681 /nfs/dbraw/zinc/68/16/81/1195681681.db2.gz LTNQNSZZSVMSAQ-PMACEKPBSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155827 1195681683 /nfs/dbraw/zinc/68/16/83/1195681683.db2.gz LTNQNSZZSVMSAQ-PMACEKPBSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155827 1195681689 /nfs/dbraw/zinc/68/16/89/1195681689.db2.gz LTNQNSZZSVMSAQ-PMACEKPBSA-N 2 1 374.529 0.479 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236562 1195734854 /nfs/dbraw/zinc/73/48/54/1195734854.db2.gz GRZZMQABBWJWEV-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000908236562 1195734860 /nfs/dbraw/zinc/73/48/60/1195734860.db2.gz GRZZMQABBWJWEV-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000908236562 1195734865 /nfs/dbraw/zinc/73/48/65/1195734865.db2.gz GRZZMQABBWJWEV-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)OC2(CC[NH2+]CC2)C1 ZINC001219028242 1224301191 /nfs/dbraw/zinc/30/11/91/1224301191.db2.gz WKVLLEXUZVBUGI-KRWDZBQOSA-N 3 1 360.458 0.560 20 0 FCADMP CN1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)OC2(CC[NH2+]CC2)C1 ZINC001219028242 1224301198 /nfs/dbraw/zinc/30/11/98/1224301198.db2.gz WKVLLEXUZVBUGI-KRWDZBQOSA-N 2 1 360.458 0.560 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1)OC ZINC001083633022 1195806107 /nfs/dbraw/zinc/80/61/07/1195806107.db2.gz BYMMALRMWGDHQT-OIISXLGYSA-N 2 1 359.430 0.467 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219033696 1224306487 /nfs/dbraw/zinc/30/64/87/1224306487.db2.gz SFEHLXCCFJZHHQ-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219033696 1224306495 /nfs/dbraw/zinc/30/64/95/1224306495.db2.gz SFEHLXCCFJZHHQ-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842434 1195849385 /nfs/dbraw/zinc/84/93/85/1195849385.db2.gz BRAXAQZVIMPNEM-INIZCTEOSA-N 2 1 373.501 0.967 20 0 FCADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910843715 1195849468 /nfs/dbraw/zinc/84/94/68/1195849468.db2.gz OUFJVSRLVGAQLN-UHFFFAOYSA-N 2 1 371.485 0.721 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000910984950 1195873226 /nfs/dbraw/zinc/87/32/26/1195873226.db2.gz QXNLZKFAVCAKRH-LTIDMASMSA-N 2 1 362.518 0.824 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000911078829 1195886807 /nfs/dbraw/zinc/88/68/07/1195886807.db2.gz TUCVNVRTAALECK-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000911131834 1195894491 /nfs/dbraw/zinc/89/44/91/1195894491.db2.gz YNTQUWBGZCODNE-MRXNPFEDSA-N 2 1 374.485 0.332 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911165211 1195902626 /nfs/dbraw/zinc/90/26/26/1195902626.db2.gz OPERDMAMQLJXIJ-IAGOWNOFSA-N 2 1 374.485 0.390 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911165211 1195902629 /nfs/dbraw/zinc/90/26/29/1195902629.db2.gz OPERDMAMQLJXIJ-IAGOWNOFSA-N 2 1 374.485 0.390 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911187112 1195904592 /nfs/dbraw/zinc/90/45/92/1195904592.db2.gz MGZOHVDYYAPKFD-ROUUACIJSA-N 2 1 358.486 0.822 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)[nH+]c1 ZINC000911365210 1195945195 /nfs/dbraw/zinc/94/51/95/1195945195.db2.gz VPMAQNPPOXFRBI-KRWDZBQOSA-N 2 1 367.453 0.749 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001219052260 1224320774 /nfs/dbraw/zinc/32/07/74/1224320774.db2.gz PHQNYDFEHKIZKR-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001219052260 1224320784 /nfs/dbraw/zinc/32/07/84/1224320784.db2.gz PHQNYDFEHKIZKR-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001219052260 1224320793 /nfs/dbraw/zinc/32/07/93/1224320793.db2.gz PHQNYDFEHKIZKR-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001219052260 1224320801 /nfs/dbraw/zinc/32/08/01/1224320801.db2.gz PHQNYDFEHKIZKR-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219052116 1224322076 /nfs/dbraw/zinc/32/20/76/1224322076.db2.gz GPVCYULHRRQEII-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054818 1224323240 /nfs/dbraw/zinc/32/32/40/1224323240.db2.gz LSRJIBWRAJBXHG-JKSUJKDBSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054818 1224323246 /nfs/dbraw/zinc/32/32/46/1224323246.db2.gz LSRJIBWRAJBXHG-JKSUJKDBSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054818 1224323257 /nfs/dbraw/zinc/32/32/57/1224323257.db2.gz LSRJIBWRAJBXHG-JKSUJKDBSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054818 1224323267 /nfs/dbraw/zinc/32/32/67/1224323267.db2.gz LSRJIBWRAJBXHG-JKSUJKDBSA-N 2 1 365.478 0.562 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(N4CCOCC4)C3)CC2)CC1 ZINC000911635334 1196305857 /nfs/dbraw/zinc/30/58/57/1196305857.db2.gz JYVYWTOOJBWWES-UHFFFAOYSA-N 2 1 364.534 0.726 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654278 1196346663 /nfs/dbraw/zinc/34/66/63/1196346663.db2.gz GHNFMFDJAGGLPW-TUKJNDCMSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654278 1196346668 /nfs/dbraw/zinc/34/66/68/1196346668.db2.gz GHNFMFDJAGGLPW-TUKJNDCMSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654278 1196346672 /nfs/dbraw/zinc/34/66/72/1196346672.db2.gz GHNFMFDJAGGLPW-TUKJNDCMSA-N 2 1 371.481 0.254 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1)OC ZINC001083669172 1196392719 /nfs/dbraw/zinc/39/27/19/1196392719.db2.gz WMUOVTUTEDXEGZ-UHOSZYNNSA-N 2 1 363.502 0.991 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)C1 ZINC000592964453 1196596829 /nfs/dbraw/zinc/59/68/29/1196596829.db2.gz GVJVUWXNYSTBBA-CVEARBPZSA-N 2 1 360.506 0.571 20 0 FCADMP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000592964542 1196597587 /nfs/dbraw/zinc/59/75/87/1196597587.db2.gz RHFIGBPGPAWEJA-IAGOWNOFSA-N 2 1 360.458 0.657 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958945 1196601039 /nfs/dbraw/zinc/60/10/39/1196601039.db2.gz AGSTZVGYQCHDBK-LSDHHAIUSA-N 3 1 360.506 0.618 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958945 1196601042 /nfs/dbraw/zinc/60/10/42/1196601042.db2.gz AGSTZVGYQCHDBK-LSDHHAIUSA-N 3 1 360.506 0.618 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001105945079 1196749132 /nfs/dbraw/zinc/74/91/32/1196749132.db2.gz KGMUQXTUCLKTAQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105978265 1196763423 /nfs/dbraw/zinc/76/34/23/1196763423.db2.gz GKHWTRKKMUKFOP-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105978265 1196763425 /nfs/dbraw/zinc/76/34/25/1196763425.db2.gz GKHWTRKKMUKFOP-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CO[C@@H](Cc1ccccc1)CN1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515415 1196801706 /nfs/dbraw/zinc/80/17/06/1196801706.db2.gz WNWQOFKWRJSYHJ-AYOQOUSVSA-N 2 1 361.486 0.764 20 0 FCADMP CO[C@@H](Cc1ccccc1)CN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515415 1196801707 /nfs/dbraw/zinc/80/17/07/1196801707.db2.gz WNWQOFKWRJSYHJ-AYOQOUSVSA-N 2 1 361.486 0.764 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088898661 1196830561 /nfs/dbraw/zinc/83/05/61/1196830561.db2.gz PMHUZRLDIAZAPK-IKGGRYGDSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088939829 1196842612 /nfs/dbraw/zinc/84/26/12/1196842612.db2.gz MAFFYELNMBRPGU-CVEARBPZSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088971567 1196852302 /nfs/dbraw/zinc/85/23/02/1196852302.db2.gz UVDBBPHJHNSOFM-KDOFPFPSSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088971567 1196852303 /nfs/dbraw/zinc/85/23/03/1196852303.db2.gz UVDBBPHJHNSOFM-KDOFPFPSSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001088980948 1196855913 /nfs/dbraw/zinc/85/59/13/1196855913.db2.gz XMSZBHVCWPBWLV-VYDXJSESSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001088980948 1196855916 /nfs/dbraw/zinc/85/59/16/1196855916.db2.gz XMSZBHVCWPBWLV-VYDXJSESSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088980948 1196855917 /nfs/dbraw/zinc/85/59/17/1196855917.db2.gz XMSZBHVCWPBWLV-VYDXJSESSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088980948 1196855918 /nfs/dbraw/zinc/85/59/18/1196855918.db2.gz XMSZBHVCWPBWLV-VYDXJSESSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088981254 1196856427 /nfs/dbraw/zinc/85/64/27/1196856427.db2.gz KGHRYXACSDGMMU-DYVFJYSZSA-N 2 1 355.442 0.841 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038818 1196872522 /nfs/dbraw/zinc/87/25/22/1196872522.db2.gz MEQDPAMURYKDDC-KFWWJZLASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038818 1196872524 /nfs/dbraw/zinc/87/25/24/1196872524.db2.gz MEQDPAMURYKDDC-KFWWJZLASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038818 1196872525 /nfs/dbraw/zinc/87/25/25/1196872525.db2.gz MEQDPAMURYKDDC-KFWWJZLASA-N 2 1 363.510 0.501 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060977 1196879712 /nfs/dbraw/zinc/87/97/12/1196879712.db2.gz QSVPPMUXAOURMF-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060977 1196879713 /nfs/dbraw/zinc/87/97/13/1196879713.db2.gz QSVPPMUXAOURMF-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060977 1196879716 /nfs/dbraw/zinc/87/97/16/1196879716.db2.gz QSVPPMUXAOURMF-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000992056880 1196924528 /nfs/dbraw/zinc/92/45/28/1196924528.db2.gz MSRGROKUGZKABJ-DJIMGWMZSA-N 2 1 371.485 0.575 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001077504900 1197018859 /nfs/dbraw/zinc/01/88/59/1197018859.db2.gz DPWVUCLWVMNZNI-IAGOWNOFSA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001077504900 1197018861 /nfs/dbraw/zinc/01/88/61/1197018861.db2.gz DPWVUCLWVMNZNI-IAGOWNOFSA-N 2 1 363.506 0.481 20 0 FCADMP COc1ccccc1CCNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721405 1197177797 /nfs/dbraw/zinc/17/77/97/1197177797.db2.gz PDIKWMYBZDNRAV-UHFFFAOYSA-N 2 1 362.518 0.923 20 0 FCADMP COc1ccccc1CCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721405 1197177807 /nfs/dbraw/zinc/17/78/07/1197177807.db2.gz PDIKWMYBZDNRAV-UHFFFAOYSA-N 2 1 362.518 0.923 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C[C@H]1C ZINC001106156493 1197314693 /nfs/dbraw/zinc/31/46/93/1197314693.db2.gz ASHIEMMCUIQGBK-IOASZLSFSA-N 2 1 362.478 0.220 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001106156493 1197314695 /nfs/dbraw/zinc/31/46/95/1197314695.db2.gz ASHIEMMCUIQGBK-IOASZLSFSA-N 2 1 362.478 0.220 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001106156493 1197314699 /nfs/dbraw/zinc/31/46/99/1197314699.db2.gz ASHIEMMCUIQGBK-IOASZLSFSA-N 2 1 362.478 0.220 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@]3(C)C2)C1 ZINC000992934258 1197614074 /nfs/dbraw/zinc/61/40/74/1197614074.db2.gz FLUSIWOZQANGSE-JTDSTZFVSA-N 2 1 360.502 0.341 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1)[NH+](C)C ZINC000992935776 1197614767 /nfs/dbraw/zinc/61/47/67/1197614767.db2.gz RKGPWOLESCHCFG-FRQCXROJSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000992935746 1197615014 /nfs/dbraw/zinc/61/50/14/1197615014.db2.gz QNXAQBWGNLNRFR-QFBILLFUSA-N 2 1 371.485 0.594 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992954220 1197629343 /nfs/dbraw/zinc/62/93/43/1197629343.db2.gz VGWBAFVVIYPQAP-ABSDTBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106210951 1197705378 /nfs/dbraw/zinc/70/53/78/1197705378.db2.gz JTTUWSAMVQCIMR-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723337 1197749428 /nfs/dbraw/zinc/74/94/28/1197749428.db2.gz GAKAYJPJBKYATO-CEXWTWQISA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723337 1197749433 /nfs/dbraw/zinc/74/94/33/1197749433.db2.gz GAKAYJPJBKYATO-CEXWTWQISA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723337 1197749445 /nfs/dbraw/zinc/74/94/45/1197749445.db2.gz GAKAYJPJBKYATO-CEXWTWQISA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723337 1197749447 /nfs/dbraw/zinc/74/94/47/1197749447.db2.gz GAKAYJPJBKYATO-CEXWTWQISA-N 2 1 361.486 0.500 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667526 1197801915 /nfs/dbraw/zinc/80/19/15/1197801915.db2.gz HGTLRSLTSZGCAU-OKZBNKHCSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667526 1197801917 /nfs/dbraw/zinc/80/19/17/1197801917.db2.gz HGTLRSLTSZGCAU-OKZBNKHCSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667526 1197801920 /nfs/dbraw/zinc/80/19/20/1197801920.db2.gz HGTLRSLTSZGCAU-OKZBNKHCSA-N 2 1 365.522 0.271 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085308632 1197810296 /nfs/dbraw/zinc/81/02/96/1197810296.db2.gz AWHJJBYVOIMXHC-ZACQAIPSSA-N 2 1 364.494 0.404 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085308632 1197810297 /nfs/dbraw/zinc/81/02/97/1197810297.db2.gz AWHJJBYVOIMXHC-ZACQAIPSSA-N 2 1 364.494 0.404 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)CC1 ZINC001085380259 1197851676 /nfs/dbraw/zinc/85/16/76/1197851676.db2.gz PSWXSIZXKBUEAC-HZPDHXFCSA-N 2 1 363.510 0.848 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106310271 1197861200 /nfs/dbraw/zinc/86/12/00/1197861200.db2.gz OZWSUHGAWQCMGF-KCYZZUKISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106310271 1197861207 /nfs/dbraw/zinc/86/12/07/1197861207.db2.gz OZWSUHGAWQCMGF-KCYZZUKISA-N 2 1 366.506 0.010 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358117 1224441951 /nfs/dbraw/zinc/44/19/51/1224441951.db2.gz YPDZVMUQWTYJHL-QYZOEREBSA-N 2 1 361.486 0.849 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358117 1224441955 /nfs/dbraw/zinc/44/19/55/1224441955.db2.gz YPDZVMUQWTYJHL-QYZOEREBSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358117 1224441961 /nfs/dbraw/zinc/44/19/61/1224441961.db2.gz YPDZVMUQWTYJHL-QYZOEREBSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358117 1224441966 /nfs/dbraw/zinc/44/19/66/1224441966.db2.gz YPDZVMUQWTYJHL-QYZOEREBSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000735591547 1197867752 /nfs/dbraw/zinc/86/77/52/1197867752.db2.gz FERYSEOGNRDGQJ-HNNXBMFYSA-N 2 1 373.501 0.976 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000761978851 1197879229 /nfs/dbraw/zinc/87/92/29/1197879229.db2.gz AHJADEFQMBPMJT-MOPGFXCFSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000761978851 1197879231 /nfs/dbraw/zinc/87/92/31/1197879231.db2.gz AHJADEFQMBPMJT-MOPGFXCFSA-N 2 1 361.486 0.708 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)CC1 ZINC001273334296 1197913828 /nfs/dbraw/zinc/91/38/28/1197913828.db2.gz WNCQYJCRWVLDSM-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106434989 1197924277 /nfs/dbraw/zinc/92/42/77/1197924277.db2.gz GKTZSLKWBJFJQM-OAGGEKHMSA-N 2 1 364.490 0.453 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278733 1197947010 /nfs/dbraw/zinc/94/70/10/1197947010.db2.gz PDRGCLJFGBLWOQ-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278733 1197947020 /nfs/dbraw/zinc/94/70/20/1197947020.db2.gz PDRGCLJFGBLWOQ-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066278733 1197947037 /nfs/dbraw/zinc/94/70/37/1197947037.db2.gz PDRGCLJFGBLWOQ-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066278733 1197947045 /nfs/dbraw/zinc/94/70/45/1197947045.db2.gz PDRGCLJFGBLWOQ-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090451 1198154790 /nfs/dbraw/zinc/15/47/90/1198154790.db2.gz AFAVRKFPYVLJMN-LVQVYYBASA-N 2 1 363.510 0.798 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090451 1198154798 /nfs/dbraw/zinc/15/47/98/1198154798.db2.gz AFAVRKFPYVLJMN-LVQVYYBASA-N 2 1 363.510 0.798 20 0 FCADMP COc1cncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120072 1198179686 /nfs/dbraw/zinc/17/96/86/1198179686.db2.gz KTVKDFAXTXPWHV-HGTKMLMNSA-N 2 1 363.462 0.189 20 0 FCADMP COc1cncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120072 1198179715 /nfs/dbraw/zinc/17/97/15/1198179715.db2.gz KTVKDFAXTXPWHV-HGTKMLMNSA-N 2 1 363.462 0.189 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC001086369798 1198331162 /nfs/dbraw/zinc/33/11/62/1198331162.db2.gz AZKDPSMFKCVULE-RKYPPNDESA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001086371172 1198332500 /nfs/dbraw/zinc/33/25/00/1198332500.db2.gz UJLCFCPLHUGMHY-LUKYLMHMSA-N 2 1 366.506 0.060 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400267 1198356462 /nfs/dbraw/zinc/35/64/62/1198356462.db2.gz ALYXPVPKQVZAIC-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400267 1198356473 /nfs/dbraw/zinc/35/64/73/1198356473.db2.gz ALYXPVPKQVZAIC-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498346 1224487646 /nfs/dbraw/zinc/48/76/46/1224487646.db2.gz WTMJCOMIAZWEOK-KPZWWZAWSA-N 2 1 370.413 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000745794298 1198945628 /nfs/dbraw/zinc/94/56/28/1198945628.db2.gz YORLYWIAYYPZJO-ROUUACIJSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H]1CC[C@H](NC(=O)c2ccc3nnc([C@H]4C[N@H+](C)CCN4C)n3c2)C[NH2+]1 ZINC001219592211 1224519746 /nfs/dbraw/zinc/51/97/46/1224519746.db2.gz RKPDBHUJRIRBOW-CWRNSKLLSA-N 2 1 371.489 0.518 20 0 FCADMP C[C@H]1CC[C@H](NC(=O)c2ccc3nnc([C@H]4C[N@@H+](C)CCN4C)n3c2)C[NH2+]1 ZINC001219592211 1224519750 /nfs/dbraw/zinc/51/97/50/1224519750.db2.gz RKPDBHUJRIRBOW-CWRNSKLLSA-N 2 1 371.489 0.518 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168813183 1199036401 /nfs/dbraw/zinc/03/64/01/1199036401.db2.gz UQTXTPGMXLSHQQ-AVGNSLFASA-N 2 1 371.482 0.779 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129337397 1199077654 /nfs/dbraw/zinc/07/76/54/1199077654.db2.gz GLOPCWRSJJZLOA-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129337397 1199077666 /nfs/dbraw/zinc/07/76/66/1199077666.db2.gz GLOPCWRSJJZLOA-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129337829 1199078858 /nfs/dbraw/zinc/07/88/58/1199078858.db2.gz ZJEGBNMTSLKGLQ-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP C[C@]([NH3+])(CO)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723756 1224576341 /nfs/dbraw/zinc/57/63/41/1224576341.db2.gz RTZAXRPQLUOUIS-HKUYNNGSSA-N 3 1 360.502 0.314 20 0 FCADMP [NH3+][C@@H]1COC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729196 1224582078 /nfs/dbraw/zinc/58/20/78/1224582078.db2.gz QFCOMLYFXGPBAP-GBESFXJTSA-N 3 1 372.513 0.578 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129385798 1200108199 /nfs/dbraw/zinc/10/81/99/1200108199.db2.gz SDJLIBGMHPJZJF-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001109411643 1200252256 /nfs/dbraw/zinc/25/22/56/1200252256.db2.gz FVMDQRXKSCAXDE-NCOADZHNSA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001109411643 1200252261 /nfs/dbraw/zinc/25/22/61/1200252261.db2.gz FVMDQRXKSCAXDE-NCOADZHNSA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001109411643 1200252265 /nfs/dbraw/zinc/25/22/65/1200252265.db2.gz FVMDQRXKSCAXDE-NCOADZHNSA-N 2 1 358.490 0.971 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528693 1200365913 /nfs/dbraw/zinc/36/59/13/1200365913.db2.gz FUIXZEADGHEGCA-DEICHXMPSA-N 2 1 362.474 0.491 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528693 1200365918 /nfs/dbraw/zinc/36/59/18/1200365918.db2.gz FUIXZEADGHEGCA-DEICHXMPSA-N 2 1 362.474 0.491 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109735418 1200495015 /nfs/dbraw/zinc/49/50/15/1200495015.db2.gz FXMBADRCLJTNPB-MTSZKFMLSA-N 2 1 371.485 0.771 20 0 FCADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796091 1224616112 /nfs/dbraw/zinc/61/61/12/1224616112.db2.gz MDMOTTQBXBKPRW-MRXNPFEDSA-N 2 1 368.522 0.768 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799455 1200523515 /nfs/dbraw/zinc/52/35/15/1200523515.db2.gz ZCUIGWMFVZKUIB-ATGSNQNLSA-N 2 1 365.478 0.023 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799455 1200523530 /nfs/dbraw/zinc/52/35/30/1200523530.db2.gz ZCUIGWMFVZKUIB-ATGSNQNLSA-N 2 1 365.478 0.023 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847768 1200559563 /nfs/dbraw/zinc/55/95/63/1200559563.db2.gz GMDYZJQXYUUMBS-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP [NH3+]C1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC001219801352 1224621073 /nfs/dbraw/zinc/62/10/73/1224621073.db2.gz YFOXNAOYICYNHB-GOSISDBHSA-N 2 1 372.513 0.865 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001109977556 1200660172 /nfs/dbraw/zinc/66/01/72/1200660172.db2.gz OQHJVLFSXPVHMJ-SQNIBIBYSA-N 2 1 374.485 0.585 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001109977556 1200660196 /nfs/dbraw/zinc/66/01/96/1200660196.db2.gz OQHJVLFSXPVHMJ-SQNIBIBYSA-N 2 1 374.485 0.585 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001109980708 1200666301 /nfs/dbraw/zinc/66/63/01/1200666301.db2.gz XUBWVCDCXOOBSV-BDXSIMOUSA-N 2 1 369.506 0.482 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112545942 1200768234 /nfs/dbraw/zinc/76/82/34/1200768234.db2.gz LXCRCIONIIQMOI-LPHOPBHVSA-N 2 1 361.490 0.936 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112567189 1200802393 /nfs/dbraw/zinc/80/23/93/1200802393.db2.gz BNCSUXITIRVXDY-KSSFIOAISA-N 2 1 367.494 0.132 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001112570692 1200803205 /nfs/dbraw/zinc/80/32/05/1200803205.db2.gz KIIHETIXFFMULZ-VDGAXYAQSA-N 2 1 362.518 0.827 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCCC3=O)C2)C1 ZINC001112579148 1200818418 /nfs/dbraw/zinc/81/84/18/1200818418.db2.gz YNOLWUBIXGXNOJ-UWVAXJGDSA-N 2 1 362.518 0.779 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1ccccc1 ZINC001112585934 1200821650 /nfs/dbraw/zinc/82/16/50/1200821650.db2.gz AAEVFLINTZNDRX-QRFRQXIXSA-N 2 1 358.486 0.993 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787123100 1200869407 /nfs/dbraw/zinc/86/94/07/1200869407.db2.gz JZUFFDYDUHRIAZ-WBVHZDCISA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793715540 1201255900 /nfs/dbraw/zinc/25/59/00/1201255900.db2.gz GQGOVKKJYZKUFD-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000793695449 1201257990 /nfs/dbraw/zinc/25/79/90/1201257990.db2.gz DDCXAQQDXOHTSK-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000793737394 1201262681 /nfs/dbraw/zinc/26/26/81/1201262681.db2.gz IHJMNFZBGWBLCT-JKSUJKDBSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000793803386 1201266053 /nfs/dbraw/zinc/26/60/53/1201266053.db2.gz QYOWOAQVPAFBNW-CJNGLKHVSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000793803386 1201266060 /nfs/dbraw/zinc/26/60/60/1201266060.db2.gz QYOWOAQVPAFBNW-CJNGLKHVSA-N 2 1 370.457 0.791 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001219867234 1224661622 /nfs/dbraw/zinc/66/16/22/1224661622.db2.gz JRMOZQZPJQGFKC-BLDSYWONSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001219867234 1224661625 /nfs/dbraw/zinc/66/16/25/1224661625.db2.gz JRMOZQZPJQGFKC-BLDSYWONSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001219867234 1224661628 /nfs/dbraw/zinc/66/16/28/1224661628.db2.gz JRMOZQZPJQGFKC-BLDSYWONSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001219867234 1224661631 /nfs/dbraw/zinc/66/16/31/1224661631.db2.gz JRMOZQZPJQGFKC-BLDSYWONSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001219867235 1224662269 /nfs/dbraw/zinc/66/22/69/1224662269.db2.gz JRMOZQZPJQGFKC-QTYSFLBXSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001219867235 1224662270 /nfs/dbraw/zinc/66/22/70/1224662270.db2.gz JRMOZQZPJQGFKC-QTYSFLBXSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001219867235 1224662273 /nfs/dbraw/zinc/66/22/73/1224662273.db2.gz JRMOZQZPJQGFKC-QTYSFLBXSA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001219867235 1224662278 /nfs/dbraw/zinc/66/22/78/1224662278.db2.gz JRMOZQZPJQGFKC-QTYSFLBXSA-N 2 1 373.497 0.970 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620325 1201282363 /nfs/dbraw/zinc/28/23/63/1201282363.db2.gz LCOHLNHZQXAPGF-RCCFBDPRSA-N 2 1 370.497 0.930 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620325 1201282368 /nfs/dbraw/zinc/28/23/68/1201282368.db2.gz LCOHLNHZQXAPGF-RCCFBDPRSA-N 2 1 370.497 0.930 20 0 FCADMP CNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086620093 1201282487 /nfs/dbraw/zinc/28/24/87/1201282487.db2.gz YBCPBIUSTREXHE-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086620093 1201282493 /nfs/dbraw/zinc/28/24/93/1201282493.db2.gz YBCPBIUSTREXHE-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086620093 1201282500 /nfs/dbraw/zinc/28/25/00/1201282500.db2.gz YBCPBIUSTREXHE-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086620093 1201282506 /nfs/dbraw/zinc/28/25/06/1201282506.db2.gz YBCPBIUSTREXHE-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086620093 1201282510 /nfs/dbraw/zinc/28/25/10/1201282510.db2.gz YBCPBIUSTREXHE-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623495 1201349050 /nfs/dbraw/zinc/34/90/50/1201349050.db2.gz HOUIMJQVQJHEON-GBESFXJTSA-N 2 1 370.497 0.755 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623495 1201349055 /nfs/dbraw/zinc/34/90/55/1201349055.db2.gz HOUIMJQVQJHEON-GBESFXJTSA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623495 1201349059 /nfs/dbraw/zinc/34/90/59/1201349059.db2.gz HOUIMJQVQJHEON-GBESFXJTSA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623495 1201349066 /nfs/dbraw/zinc/34/90/66/1201349066.db2.gz HOUIMJQVQJHEON-GBESFXJTSA-N 2 1 370.497 0.755 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624157 1201359160 /nfs/dbraw/zinc/35/91/60/1201359160.db2.gz QENYXPOWKKVYAC-KSZLIROESA-N 2 1 367.453 0.664 20 0 FCADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717700 1201377521 /nfs/dbraw/zinc/37/75/21/1201377521.db2.gz POUCLLWOMZXYFF-JTWDDWRCSA-N 2 1 362.478 0.307 20 0 FCADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717700 1201377526 /nfs/dbraw/zinc/37/75/26/1201377526.db2.gz POUCLLWOMZXYFF-JTWDDWRCSA-N 2 1 362.478 0.307 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129923578 1201443110 /nfs/dbraw/zinc/44/31/10/1201443110.db2.gz KWVYGRLFCLFNSH-IKGGRYGDSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040767 1201478462 /nfs/dbraw/zinc/47/84/62/1201478462.db2.gz KVASZZADBFLRLU-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130038171 1201482974 /nfs/dbraw/zinc/48/29/74/1201482974.db2.gz PPYVHVRIQGNDOO-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043947 1201485225 /nfs/dbraw/zinc/48/52/25/1201485225.db2.gz IGKUSOSWNPHBHV-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130106941 1201502253 /nfs/dbraw/zinc/50/22/53/1201502253.db2.gz ARASTODJVJYPAL-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130106969 1201502374 /nfs/dbraw/zinc/50/23/74/1201502374.db2.gz BNXBGVHAQGVZGF-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130106969 1201502376 /nfs/dbraw/zinc/50/23/76/1201502376.db2.gz BNXBGVHAQGVZGF-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137058 1201514583 /nfs/dbraw/zinc/51/45/83/1201514583.db2.gz GXRPSYVJJYLCGJ-MSOLQXFVSA-N 2 1 371.489 0.863 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137145 1201514759 /nfs/dbraw/zinc/51/47/59/1201514759.db2.gz LLBMWXVVNPHYTJ-SJORKVTESA-N 2 1 366.510 0.632 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137342 1201514941 /nfs/dbraw/zinc/51/49/41/1201514941.db2.gz UPIWBZWNLJGQBG-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130220805 1201551112 /nfs/dbraw/zinc/55/11/12/1201551112.db2.gz LTKPLZZNHKUJRZ-OFQRWUPVSA-N 2 1 364.494 0.632 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922951 1224682466 /nfs/dbraw/zinc/68/24/66/1224682466.db2.gz QATFCCZKQLYMPI-SJORKVTESA-N 2 1 371.522 0.464 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922951 1224682472 /nfs/dbraw/zinc/68/24/72/1224682472.db2.gz QATFCCZKQLYMPI-SJORKVTESA-N 2 1 371.522 0.464 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922951 1224682473 /nfs/dbraw/zinc/68/24/73/1224682473.db2.gz QATFCCZKQLYMPI-SJORKVTESA-N 2 1 371.522 0.464 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922951 1224682478 /nfs/dbraw/zinc/68/24/78/1224682478.db2.gz QATFCCZKQLYMPI-SJORKVTESA-N 2 1 371.522 0.464 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531847 1202709995 /nfs/dbraw/zinc/70/99/95/1202709995.db2.gz ISOAFISEGXDBTL-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590583 1202725803 /nfs/dbraw/zinc/72/58/03/1202725803.db2.gz XSUZGCULYICEDF-CGTJXYLNSA-N 2 1 363.506 0.823 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2[NH2+]CCCO)c1 ZINC001130672176 1202751813 /nfs/dbraw/zinc/75/18/13/1202751813.db2.gz KBAQIGOHXTWBRN-DOTOQJQBSA-N 2 1 363.506 0.418 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726168 1202767483 /nfs/dbraw/zinc/76/74/83/1202767483.db2.gz NYMKMRNNXVERNP-SOLBZPMBSA-N 2 1 363.506 0.681 20 0 FCADMP COCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802308 1202803356 /nfs/dbraw/zinc/80/33/56/1202803356.db2.gz NCQWPVJVUVROFV-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001130989266 1202837530 /nfs/dbraw/zinc/83/75/30/1202837530.db2.gz ZPHVPPCUAAVTRP-ZACQAIPSSA-N 2 1 363.506 0.559 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015120 1202845714 /nfs/dbraw/zinc/84/57/14/1202845714.db2.gz OPGYLLGQPXPUDU-YFHUEUNASA-N 2 1 363.506 0.823 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015120 1202845715 /nfs/dbraw/zinc/84/57/15/1202845715.db2.gz OPGYLLGQPXPUDU-YFHUEUNASA-N 2 1 363.506 0.823 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072083 1202856630 /nfs/dbraw/zinc/85/66/30/1202856630.db2.gz IRHVKSCCCOFMLN-BZUAXINKSA-N 2 1 365.522 0.663 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070513 1202856706 /nfs/dbraw/zinc/85/67/06/1202856706.db2.gz ZDQPRAUHNBLEIE-GVDBMIGSSA-N 2 1 363.506 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131132993 1202870014 /nfs/dbraw/zinc/87/00/14/1202870014.db2.gz WPPMZBUSBPHPGQ-GVDBMIGSSA-N 2 1 363.506 0.681 20 0 FCADMP CCOC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000808161361 1202875130 /nfs/dbraw/zinc/87/51/30/1202875130.db2.gz WOUWRZQXJXRFCM-GOSISDBHSA-N 2 1 368.478 0.871 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC001086664329 1202881410 /nfs/dbraw/zinc/88/14/10/1202881410.db2.gz JEQNYRJBNUCLNW-USXIJHARSA-N 2 1 362.474 0.090 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC001086664329 1202881413 /nfs/dbraw/zinc/88/14/13/1202881413.db2.gz JEQNYRJBNUCLNW-USXIJHARSA-N 2 1 362.474 0.090 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001086665415 1202888140 /nfs/dbraw/zinc/88/81/40/1202888140.db2.gz DVJCFIZJISXIAK-CGTJXYLNSA-N 2 1 363.506 0.651 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001086665415 1202888142 /nfs/dbraw/zinc/88/81/42/1202888142.db2.gz DVJCFIZJISXIAK-CGTJXYLNSA-N 2 1 363.506 0.651 20 0 FCADMP COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086666110 1202888910 /nfs/dbraw/zinc/88/89/10/1202888910.db2.gz YZRBNDICEZERHG-LZWOXQAQSA-N 2 1 363.462 0.190 20 0 FCADMP COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086666110 1202888913 /nfs/dbraw/zinc/88/89/13/1202888913.db2.gz YZRBNDICEZERHG-LZWOXQAQSA-N 2 1 363.462 0.190 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001131562578 1202914272 /nfs/dbraw/zinc/91/42/72/1202914272.db2.gz ZSLLFGHRWHAIPS-GMBSWORKSA-N 2 1 366.506 0.060 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131588058 1202916847 /nfs/dbraw/zinc/91/68/47/1202916847.db2.gz OGPTZKAETIOHEZ-APWZRJJASA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131596916 1202918983 /nfs/dbraw/zinc/91/89/83/1202918983.db2.gz ASVTYXKZOHTZTL-MJGOQNOKSA-N 2 1 371.522 0.323 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)C(N)=O ZINC001131608783 1202920541 /nfs/dbraw/zinc/92/05/41/1202920541.db2.gz MTGVFVYMCMGPEA-NUJGCVRESA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086695404 1202968613 /nfs/dbraw/zinc/96/86/13/1202968613.db2.gz PFLOECLIERAMJS-ZNMIVQPWSA-N 2 1 364.494 0.356 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001086700024 1202974718 /nfs/dbraw/zinc/97/47/18/1202974718.db2.gz SVOJVEIPXXPLRP-LXTVHRRPSA-N 2 1 364.494 0.850 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001086700024 1202974720 /nfs/dbraw/zinc/97/47/20/1202974720.db2.gz SVOJVEIPXXPLRP-LXTVHRRPSA-N 2 1 364.494 0.850 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327208 1202993305 /nfs/dbraw/zinc/99/33/05/1202993305.db2.gz YZQHLEKYIUILJN-GXTWGEPZSA-N 2 1 373.457 0.454 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327210 1202993415 /nfs/dbraw/zinc/99/34/15/1202993415.db2.gz YZQHLEKYIUILJN-OCCSQVGLSA-N 2 1 373.457 0.454 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086711851 1202995259 /nfs/dbraw/zinc/99/52/59/1202995259.db2.gz DRJSIUNQQSMLHH-RRFJBIMHSA-N 2 1 364.494 0.357 20 0 FCADMP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1=O ZINC001134121321 1203015080 /nfs/dbraw/zinc/01/50/80/1203015080.db2.gz XGFSWUHYFOJVRC-MOPGFXCFSA-N 2 1 368.481 0.937 20 0 FCADMP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)n1 ZINC001086731640 1203052954 /nfs/dbraw/zinc/05/29/54/1203052954.db2.gz WARIJWPHKXZLSR-LSDHHAIUSA-N 2 1 361.494 0.461 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086734200 1203061150 /nfs/dbraw/zinc/06/11/50/1203061150.db2.gz XKSBTENUQRNOCI-ARFHVFGLSA-N 2 1 364.490 0.494 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001086785159 1203092559 /nfs/dbraw/zinc/09/25/59/1203092559.db2.gz MEDNQHRVTHATKF-BBWFWOEESA-N 2 1 366.506 0.202 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC001086802890 1203101408 /nfs/dbraw/zinc/10/14/08/1203101408.db2.gz FYPMIVBVUKYLQW-GVDBMIGSSA-N 2 1 371.489 0.920 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899868 1203137146 /nfs/dbraw/zinc/13/71/46/1203137146.db2.gz YPJVHMPYEQIYGT-DZGCQCFKSA-N 3 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H](N)CCC[NH3+] ZINC001170899868 1203137147 /nfs/dbraw/zinc/13/71/47/1203137147.db2.gz YPJVHMPYEQIYGT-DZGCQCFKSA-N 2 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H](N)CCC[NH3+] ZINC001170899868 1203137149 /nfs/dbraw/zinc/13/71/49/1203137149.db2.gz YPJVHMPYEQIYGT-DZGCQCFKSA-N 2 1 367.494 0.623 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001090552664 1203214561 /nfs/dbraw/zinc/21/45/61/1203214561.db2.gz URNSUZNLASZACY-GVDBMIGSSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001090552664 1203214562 /nfs/dbraw/zinc/21/45/62/1203214562.db2.gz URNSUZNLASZACY-GVDBMIGSSA-N 2 1 361.490 0.888 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119145 1224777369 /nfs/dbraw/zinc/77/73/69/1224777369.db2.gz BXJBBNUEAIFGLE-BBWFWOEESA-N 2 1 369.506 0.218 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001220158944 1224791513 /nfs/dbraw/zinc/79/15/13/1224791513.db2.gz JXMHWMNQLAOVHP-YOEHRIQHSA-N 2 1 357.458 0.364 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220268901 1224817310 /nfs/dbraw/zinc/81/73/10/1224817310.db2.gz KYCZRGRFXSPLPM-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220268901 1224817313 /nfs/dbraw/zinc/81/73/13/1224817313.db2.gz KYCZRGRFXSPLPM-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001220306104 1224824628 /nfs/dbraw/zinc/82/46/28/1224824628.db2.gz CJYNBBZXUGHSDQ-GHTZIAJQSA-N 2 1 371.529 0.466 20 0 FCADMP CN(CC(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)C(N)=[NH2+] ZINC001144132655 1204423221 /nfs/dbraw/zinc/42/32/21/1204423221.db2.gz ZQJQZFRZAPSBPH-UAGQMJEPSA-N 2 1 358.490 0.966 20 0 FCADMP COCCc1noc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001091035639 1204449337 /nfs/dbraw/zinc/44/93/37/1204449337.db2.gz CXVKWDRHXRFECQ-XSCHDIRWSA-N 2 1 365.478 0.583 20 0 FCADMP COCCc1noc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001091035639 1204449349 /nfs/dbraw/zinc/44/93/49/1204449349.db2.gz CXVKWDRHXRFECQ-XSCHDIRWSA-N 2 1 365.478 0.583 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)nc(C)[nH+]1 ZINC001091056653 1204477957 /nfs/dbraw/zinc/47/79/57/1204477957.db2.gz QCHKJFBAVUZMAZ-JKSUJKDBSA-N 2 1 359.474 0.851 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091118130 1204518548 /nfs/dbraw/zinc/51/85/48/1204518548.db2.gz ZBBXNKAGXHAUJB-SOLBZPMBSA-N 2 1 361.490 0.880 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358666 1224842318 /nfs/dbraw/zinc/84/23/18/1224842318.db2.gz WBRSVJMGMSSQKY-QAETUUGQSA-N 2 1 360.458 0.251 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3[nH+]cccc3N)CC2)c1 ZINC001144935271 1204660524 /nfs/dbraw/zinc/66/05/24/1204660524.db2.gz CHWOSFUYEJZUFN-QGZVFWFLSA-N 2 1 355.442 0.891 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543090 1204707892 /nfs/dbraw/zinc/70/78/92/1204707892.db2.gz BRFWTFSJUMGGPJ-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091543090 1204707900 /nfs/dbraw/zinc/70/79/00/1204707900.db2.gz BRFWTFSJUMGGPJ-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091543090 1204707907 /nfs/dbraw/zinc/70/79/07/1204707907.db2.gz BRFWTFSJUMGGPJ-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664326 1204810883 /nfs/dbraw/zinc/81/08/83/1204810883.db2.gz HNLVKAWXBOQMGD-RKVPGOIHSA-N 2 1 361.494 0.363 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735232 1204836286 /nfs/dbraw/zinc/83/62/86/1204836286.db2.gz MLXONLMMJSCVQE-APWZRJJASA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742703 1204838708 /nfs/dbraw/zinc/83/87/08/1204838708.db2.gz FXONDPVASZTXAE-LBTNJELSSA-N 2 1 361.494 0.536 20 0 FCADMP Cn1nncc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754245 1204844289 /nfs/dbraw/zinc/84/42/89/1204844289.db2.gz KUEFFYLALKXWKU-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754245 1204844291 /nfs/dbraw/zinc/84/42/91/1204844291.db2.gz KUEFFYLALKXWKU-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754245 1204844293 /nfs/dbraw/zinc/84/42/93/1204844293.db2.gz KUEFFYLALKXWKU-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754245 1204844294 /nfs/dbraw/zinc/84/42/94/1204844294.db2.gz KUEFFYLALKXWKU-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754245 1204844295 /nfs/dbraw/zinc/84/42/95/1204844295.db2.gz KUEFFYLALKXWKU-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001086880239 1204856073 /nfs/dbraw/zinc/85/60/73/1204856073.db2.gz PNIGOFMYALUWKW-LZLYRXPVSA-N 2 1 363.506 0.558 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001086880239 1204856074 /nfs/dbraw/zinc/85/60/74/1204856074.db2.gz PNIGOFMYALUWKW-LZLYRXPVSA-N 2 1 363.506 0.558 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2c2cnn(C)c2)n1 ZINC001086970682 1204870222 /nfs/dbraw/zinc/87/02/22/1204870222.db2.gz DYHVNXBBNXZJIP-KSZLIROESA-N 2 1 371.489 0.332 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2c2cnn(C)c2)n1 ZINC001086970682 1204870223 /nfs/dbraw/zinc/87/02/23/1204870223.db2.gz DYHVNXBBNXZJIP-KSZLIROESA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001086971000 1204870498 /nfs/dbraw/zinc/87/04/98/1204870498.db2.gz RZLKVQWKSRFCFM-RCCFBDPRSA-N 2 1 371.489 0.332 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993763 1204885200 /nfs/dbraw/zinc/88/52/00/1204885200.db2.gz QFDCKYIUWVCBOJ-RCCFBDPRSA-N 2 1 363.506 0.823 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993763 1204885201 /nfs/dbraw/zinc/88/52/01/1204885201.db2.gz QFDCKYIUWVCBOJ-RCCFBDPRSA-N 2 1 363.506 0.823 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087055234 1204935139 /nfs/dbraw/zinc/93/51/39/1204935139.db2.gz AUYXVKYFXKQCSG-DTZQCDIJSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087055234 1204935145 /nfs/dbraw/zinc/93/51/45/1204935145.db2.gz AUYXVKYFXKQCSG-DTZQCDIJSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087062917 1204950397 /nfs/dbraw/zinc/95/03/97/1204950397.db2.gz ASPPBHAKJSCQSX-HYVNUMGLSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087067344 1204955896 /nfs/dbraw/zinc/95/58/96/1204955896.db2.gz XZTSKLAGDMJKGB-NVXWUHKLSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087067359 1204956258 /nfs/dbraw/zinc/95/62/58/1204956258.db2.gz YXLFBOPMVUYFPU-NVXWUHKLSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083429 1204969753 /nfs/dbraw/zinc/96/97/53/1204969753.db2.gz DZGBCXGUQPAYGE-BFYDXBDKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087083356 1204970249 /nfs/dbraw/zinc/97/02/49/1204970249.db2.gz ASJQDBQIOKBZGA-ZMSDIMECSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087091496 1204980514 /nfs/dbraw/zinc/98/05/14/1204980514.db2.gz ONPZREMMBYWQAK-KZNAEPCWSA-N 2 1 369.506 0.198 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087100797 1204998365 /nfs/dbraw/zinc/99/83/65/1204998365.db2.gz FIVOBYRLMSYGLQ-ARFHVFGLSA-N 2 1 364.494 0.203 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787575 1205012720 /nfs/dbraw/zinc/01/27/20/1205012720.db2.gz GAOBSSXPCHNLKJ-GJYPPUQNSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787575 1205012723 /nfs/dbraw/zinc/01/27/23/1205012723.db2.gz GAOBSSXPCHNLKJ-GJYPPUQNSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787575 1205012727 /nfs/dbraw/zinc/01/27/27/1205012727.db2.gz GAOBSSXPCHNLKJ-GJYPPUQNSA-N 2 1 363.506 0.276 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809660 1205021806 /nfs/dbraw/zinc/02/18/06/1205021806.db2.gz ORKKSNPSSKTMSF-UWVAXJGDSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809660 1205021809 /nfs/dbraw/zinc/02/18/09/1205021809.db2.gz ORKKSNPSSKTMSF-UWVAXJGDSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091809660 1205021813 /nfs/dbraw/zinc/02/18/13/1205021813.db2.gz ORKKSNPSSKTMSF-UWVAXJGDSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CCn4cccn4)C[C@@]3(C)C2)O1 ZINC001091783228 1205026937 /nfs/dbraw/zinc/02/69/37/1205026937.db2.gz WMNCHSGHXQMJCL-MTNOOBJLSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CCn4cccn4)C[C@@]3(C)C2)O1 ZINC001091783228 1205026943 /nfs/dbraw/zinc/02/69/43/1205026943.db2.gz WMNCHSGHXQMJCL-MTNOOBJLSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](CCn4cccn4)C[C@@]3(C)C2)O1 ZINC001091783228 1205026946 /nfs/dbraw/zinc/02/69/46/1205026946.db2.gz WMNCHSGHXQMJCL-MTNOOBJLSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CCn4cccn4)C[C@@]3(C)C2)O1 ZINC001091783228 1205026949 /nfs/dbraw/zinc/02/69/49/1205026949.db2.gz WMNCHSGHXQMJCL-MTNOOBJLSA-N 2 1 361.490 0.383 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856421 1205051539 /nfs/dbraw/zinc/05/15/39/1205051539.db2.gz PRLKBYDQWFXIGJ-OHNRDTAOSA-N 2 1 355.442 0.863 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857481 1205052503 /nfs/dbraw/zinc/05/25/03/1205052503.db2.gz KESMYLGNZOAHRV-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857481 1205052507 /nfs/dbraw/zinc/05/25/07/1205052507.db2.gz KESMYLGNZOAHRV-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910334 1205068860 /nfs/dbraw/zinc/06/88/60/1205068860.db2.gz SLAAMBZJJDPVOY-GUXCAODWSA-N 2 1 362.518 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944190 1205085908 /nfs/dbraw/zinc/08/59/08/1205085908.db2.gz VHWUYNUGTDHTAP-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944190 1205085914 /nfs/dbraw/zinc/08/59/14/1205085914.db2.gz VHWUYNUGTDHTAP-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944190 1205085919 /nfs/dbraw/zinc/08/59/19/1205085919.db2.gz VHWUYNUGTDHTAP-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985248 1205094370 /nfs/dbraw/zinc/09/43/70/1205094370.db2.gz MGXFWNUWVFEYPD-POAQFYNOSA-N 2 1 364.534 0.975 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014616 1205113952 /nfs/dbraw/zinc/11/39/52/1205113952.db2.gz ALUXBUPKSAMSKN-GUXCAODWSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014616 1205113955 /nfs/dbraw/zinc/11/39/55/1205113955.db2.gz ALUXBUPKSAMSKN-GUXCAODWSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014616 1205113957 /nfs/dbraw/zinc/11/39/57/1205113957.db2.gz ALUXBUPKSAMSKN-GUXCAODWSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCn4cncn4)C[C@@]3(C)C2)C1 ZINC001092014846 1205114274 /nfs/dbraw/zinc/11/42/74/1205114274.db2.gz FVIJNYCZMMRQQC-APWZRJJASA-N 2 1 360.506 0.790 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)C1 ZINC001092014846 1205114276 /nfs/dbraw/zinc/11/42/76/1205114276.db2.gz FVIJNYCZMMRQQC-APWZRJJASA-N 2 1 360.506 0.790 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)C1 ZINC001092014846 1205114285 /nfs/dbraw/zinc/11/42/85/1205114285.db2.gz FVIJNYCZMMRQQC-APWZRJJASA-N 2 1 360.506 0.790 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200732 1205196217 /nfs/dbraw/zinc/19/62/17/1205196217.db2.gz NLRISUOETLZUSU-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200732 1205196233 /nfs/dbraw/zinc/19/62/33/1205196233.db2.gz NLRISUOETLZUSU-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200732 1205196237 /nfs/dbraw/zinc/19/62/37/1205196237.db2.gz NLRISUOETLZUSU-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)n1 ZINC001092203159 1205198032 /nfs/dbraw/zinc/19/80/32/1205198032.db2.gz GHBJNJACKSASNT-BEFAXECRSA-N 2 1 371.485 0.861 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)n1 ZINC001092203159 1205198033 /nfs/dbraw/zinc/19/80/33/1205198033.db2.gz GHBJNJACKSASNT-BEFAXECRSA-N 2 1 371.485 0.861 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273815 1205220387 /nfs/dbraw/zinc/22/03/87/1205220387.db2.gz SOXYGZXPPZSGCQ-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273815 1205220390 /nfs/dbraw/zinc/22/03/90/1205220390.db2.gz SOXYGZXPPZSGCQ-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273815 1205220393 /nfs/dbraw/zinc/22/03/93/1205220393.db2.gz SOXYGZXPPZSGCQ-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275772 1205222332 /nfs/dbraw/zinc/22/23/32/1205222332.db2.gz OXXODBALBFFSSL-APWZRJJASA-N 2 1 360.506 0.983 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001092275846 1205222625 /nfs/dbraw/zinc/22/26/25/1205222625.db2.gz SUEDCUAEYXWBNY-LMMKCTJWSA-N 2 1 361.490 0.120 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286406 1205252711 /nfs/dbraw/zinc/25/27/11/1205252711.db2.gz AFDWRTGOURLIQI-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286406 1205252718 /nfs/dbraw/zinc/25/27/18/1205252718.db2.gz AFDWRTGOURLIQI-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286406 1205252721 /nfs/dbraw/zinc/25/27/21/1205252721.db2.gz AFDWRTGOURLIQI-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286406 1205252727 /nfs/dbraw/zinc/25/27/27/1205252727.db2.gz AFDWRTGOURLIQI-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CN(CC[NH3+])CCNC(=O)c1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC001220517550 1224900577 /nfs/dbraw/zinc/90/05/77/1224900577.db2.gz PSDHRNUFAMDYKE-INIZCTEOSA-N 2 1 364.490 0.518 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548151 1224921052 /nfs/dbraw/zinc/92/10/52/1224921052.db2.gz ZFPWPHDEPXYCMB-MSOLQXFVSA-N 2 1 371.522 0.467 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548151 1224921057 /nfs/dbraw/zinc/92/10/57/1224921057.db2.gz ZFPWPHDEPXYCMB-MSOLQXFVSA-N 2 1 371.522 0.467 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nn1 ZINC001093132924 1206033103 /nfs/dbraw/zinc/03/31/03/1206033103.db2.gz HBRMTWXXSLXAFG-HUUCEWRRSA-N 2 1 359.474 0.765 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@@H]1O ZINC001220553845 1224926027 /nfs/dbraw/zinc/92/60/27/1224926027.db2.gz SRJIVRNBJMCBSA-QYZOEREBSA-N 2 1 359.470 0.558 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@@H]1O ZINC001220553845 1224926032 /nfs/dbraw/zinc/92/60/32/1224926032.db2.gz SRJIVRNBJMCBSA-QYZOEREBSA-N 2 1 359.470 0.558 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001093281204 1206071721 /nfs/dbraw/zinc/07/17/21/1206071721.db2.gz OZPNTUZZBLPULS-BPLDGKMQSA-N 2 1 361.446 0.071 20 0 FCADMP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001093673256 1206099519 /nfs/dbraw/zinc/09/95/19/1206099519.db2.gz NONSOSWNGQVVPE-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110148044 1206100512 /nfs/dbraw/zinc/10/05/12/1206100512.db2.gz FRXSJBTXQOSKFR-IKGGRYGDSA-N 2 1 363.506 0.609 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)CC[N@H+]1C ZINC001093780730 1206114742 /nfs/dbraw/zinc/11/47/42/1206114742.db2.gz ARVMRUUVTLRSCK-KBUPBQIOSA-N 2 1 364.494 0.660 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093821186 1206123222 /nfs/dbraw/zinc/12/32/22/1206123222.db2.gz ULDSERYANPPFSM-BZUAXINKSA-N 2 1 363.510 0.372 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001093825551 1206123880 /nfs/dbraw/zinc/12/38/80/1206123880.db2.gz GZBMBQTWWIQSBZ-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093825268 1206123884 /nfs/dbraw/zinc/12/38/84/1206123884.db2.gz AWLRZNDAIUBDOC-ZIAGYGMSSA-N 2 1 361.494 0.676 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)nc1 ZINC001093857683 1206135675 /nfs/dbraw/zinc/13/56/75/1206135675.db2.gz RMPPEFOEQKLGJY-QBPKDAKJSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)nc1 ZINC001093857683 1206135679 /nfs/dbraw/zinc/13/56/79/1206135679.db2.gz RMPPEFOEQKLGJY-QBPKDAKJSA-N 2 1 361.490 0.688 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)C1 ZINC001093993584 1206165485 /nfs/dbraw/zinc/16/54/85/1206165485.db2.gz NZTLYWUIBCLPOK-ZACQAIPSSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)C1 ZINC001093993584 1206165489 /nfs/dbraw/zinc/16/54/89/1206165489.db2.gz NZTLYWUIBCLPOK-ZACQAIPSSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001094088423 1206181872 /nfs/dbraw/zinc/18/18/72/1206181872.db2.gz SOJMUWFPKBNMMW-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001094114133 1206186340 /nfs/dbraw/zinc/18/63/40/1206186340.db2.gz ULPYIWZYKXWFCX-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094165239 1206197448 /nfs/dbraw/zinc/19/74/48/1206197448.db2.gz JCFNKGGLXMNXJG-BPQIPLTHSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094165867 1206198098 /nfs/dbraw/zinc/19/80/98/1206198098.db2.gz CCEDDCUOYCQSDC-OWCLPIDISA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094220797 1206203471 /nfs/dbraw/zinc/20/34/71/1206203471.db2.gz WBUBLQJGSAEICJ-VNQPRFMTSA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094241408 1206209898 /nfs/dbraw/zinc/20/98/98/1206209898.db2.gz AVIHRPALSZNARA-GDBMZVCRSA-N 2 1 371.489 0.770 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@H](C)OC)C3)nn2)CC[N@@H+]1C ZINC001094293437 1206215368 /nfs/dbraw/zinc/21/53/68/1206215368.db2.gz OOHGQIRQKQSKIG-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@H](C)OC)C3)nn2)CC[N@H+]1C ZINC001094293437 1206215369 /nfs/dbraw/zinc/21/53/69/1206215369.db2.gz OOHGQIRQKQSKIG-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500581 1206249487 /nfs/dbraw/zinc/24/94/87/1206249487.db2.gz LCVHCBNNHOGSMP-GVDBMIGSSA-N 2 1 370.538 0.839 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500581 1206249490 /nfs/dbraw/zinc/24/94/90/1206249490.db2.gz LCVHCBNNHOGSMP-GVDBMIGSSA-N 2 1 370.538 0.839 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500580 1206249680 /nfs/dbraw/zinc/24/96/80/1206249680.db2.gz LCVHCBNNHOGSMP-BRWVUGGUSA-N 2 1 370.538 0.839 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500580 1206249683 /nfs/dbraw/zinc/24/96/83/1206249683.db2.gz LCVHCBNNHOGSMP-BRWVUGGUSA-N 2 1 370.538 0.839 20 0 FCADMP CCCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500992 1206249968 /nfs/dbraw/zinc/24/99/68/1206249968.db2.gz OZEBGSSTMSNPEO-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500992 1206249974 /nfs/dbraw/zinc/24/99/74/1206249974.db2.gz OZEBGSSTMSNPEO-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@H]45)n3)c2)CC1 ZINC001212628571 1206252927 /nfs/dbraw/zinc/25/29/27/1206252927.db2.gz CZTDGNAWKFRASH-HOTGVXAUSA-N 2 1 368.441 0.806 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCN(C3CC3)C(=O)C1)CCC2 ZINC001172013553 1206254484 /nfs/dbraw/zinc/25/44/84/1206254484.db2.gz JGVQYIKYPCRMKN-INIZCTEOSA-N 2 1 359.474 0.664 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)CCC2 ZINC001172013553 1206254486 /nfs/dbraw/zinc/25/44/86/1206254486.db2.gz JGVQYIKYPCRMKN-INIZCTEOSA-N 2 1 359.474 0.664 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172109144 1206257859 /nfs/dbraw/zinc/25/78/59/1206257859.db2.gz BOWLYCXRJQXRSX-MHORFTMASA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172109144 1206257862 /nfs/dbraw/zinc/25/78/62/1206257862.db2.gz BOWLYCXRJQXRSX-MHORFTMASA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117661 1206257937 /nfs/dbraw/zinc/25/79/37/1206257937.db2.gz RDGOYSSTLDCUKT-BNIPCRSQSA-N 2 1 371.485 0.921 20 0 FCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117661 1206257940 /nfs/dbraw/zinc/25/79/40/1206257940.db2.gz RDGOYSSTLDCUKT-BNIPCRSQSA-N 2 1 371.485 0.921 20 0 FCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001172117661 1206257941 /nfs/dbraw/zinc/25/79/41/1206257941.db2.gz RDGOYSSTLDCUKT-BNIPCRSQSA-N 2 1 371.485 0.921 20 0 FCADMP C[NH+](C)CCn1cc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cn1 ZINC001176444498 1206314787 /nfs/dbraw/zinc/31/47/87/1206314787.db2.gz PXBUZPACMZDGSS-UHFFFAOYSA-N 2 1 360.466 0.093 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001220578933 1224946181 /nfs/dbraw/zinc/94/61/81/1224946181.db2.gz XGQUCHSWCUKNGZ-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCN2CCCC2=O)O1 ZINC001178811352 1206365436 /nfs/dbraw/zinc/36/54/36/1206365436.db2.gz SHEOCADOPKXBRO-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCN2CCCC2=O)O1 ZINC001178811352 1206365440 /nfs/dbraw/zinc/36/54/40/1206365440.db2.gz SHEOCADOPKXBRO-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N2CCCC2)O1 ZINC001178810315 1206365875 /nfs/dbraw/zinc/36/58/75/1206365875.db2.gz BXUSOISOZHZFLL-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N2CCCC2)O1 ZINC001178810315 1206365876 /nfs/dbraw/zinc/36/58/76/1206365876.db2.gz BXUSOISOZHZFLL-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC001178930499 1206367394 /nfs/dbraw/zinc/36/73/94/1206367394.db2.gz DEOBKYYREOXAPZ-IRXDYDNUSA-N 2 1 371.489 0.972 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)n1ccc(C[NH3+])cc1=N ZINC001180408335 1206395022 /nfs/dbraw/zinc/39/50/22/1206395022.db2.gz GCKAJRRVDITWBB-DLBZAZTESA-N 2 1 368.437 0.988 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001180409782 1206395074 /nfs/dbraw/zinc/39/50/74/1206395074.db2.gz MFOHSEWIRWBXLR-OKZBNKHCSA-N 2 1 359.470 0.976 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001180409782 1206395075 /nfs/dbraw/zinc/39/50/75/1206395075.db2.gz MFOHSEWIRWBXLR-OKZBNKHCSA-N 2 1 359.470 0.976 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001180409782 1206395076 /nfs/dbraw/zinc/39/50/76/1206395076.db2.gz MFOHSEWIRWBXLR-OKZBNKHCSA-N 2 1 359.470 0.976 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001180408787 1206395218 /nfs/dbraw/zinc/39/52/18/1206395218.db2.gz OJKRBVXVZQYJOC-JKSUJKDBSA-N 2 1 369.425 0.383 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397794 /nfs/dbraw/zinc/39/77/94/1206397794.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 1 374.485 0.460 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397797 /nfs/dbraw/zinc/39/77/97/1206397797.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 1 374.485 0.460 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnn(C)n1 ZINC001181873535 1206416559 /nfs/dbraw/zinc/41/65/59/1206416559.db2.gz BECOVHBCAMUKJD-GZOSKZMVSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnn(C)n1 ZINC001181873535 1206416560 /nfs/dbraw/zinc/41/65/60/1206416560.db2.gz BECOVHBCAMUKJD-GZOSKZMVSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)C1 ZINC001181973699 1206418875 /nfs/dbraw/zinc/41/88/75/1206418875.db2.gz SZSZBBDQYFXUDK-INIZCTEOSA-N 2 1 361.490 0.674 20 0 FCADMP CC1(C)CC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496217 1206438069 /nfs/dbraw/zinc/43/80/69/1206438069.db2.gz ZVLVHDQSYJZCHT-CABCVRRESA-N 2 1 366.506 0.391 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182683922 1206441992 /nfs/dbraw/zinc/44/19/92/1206441992.db2.gz GGOIRRJYGOPLAM-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@@H]1C(=O)NCC[NH2+]CCO ZINC001184441364 1206470379 /nfs/dbraw/zinc/47/03/79/1206470379.db2.gz CEAMDZPLCYYFCF-CQSZACIVSA-N 2 1 372.510 0.404 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001185250537 1206476956 /nfs/dbraw/zinc/47/69/56/1206476956.db2.gz GXEONGSEIITDTA-OTWHNJEPSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001185250537 1206476957 /nfs/dbraw/zinc/47/69/57/1206476957.db2.gz GXEONGSEIITDTA-OTWHNJEPSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001185250537 1206476958 /nfs/dbraw/zinc/47/69/58/1206476958.db2.gz GXEONGSEIITDTA-OTWHNJEPSA-N 2 1 373.501 0.129 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001185251748 1206477136 /nfs/dbraw/zinc/47/71/36/1206477136.db2.gz OUJUGSWISWOSIR-QWFCFKBJSA-N 2 1 364.534 0.439 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185251748 1206477138 /nfs/dbraw/zinc/47/71/38/1206477138.db2.gz OUJUGSWISWOSIR-QWFCFKBJSA-N 2 1 364.534 0.439 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185251748 1206477140 /nfs/dbraw/zinc/47/71/40/1206477140.db2.gz OUJUGSWISWOSIR-QWFCFKBJSA-N 2 1 364.534 0.439 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)[C@H]2C ZINC001185253037 1206477688 /nfs/dbraw/zinc/47/76/88/1206477688.db2.gz VJMFMABKAFHUQS-RDJZCZTQSA-N 2 1 362.522 0.872 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039567 1206490953 /nfs/dbraw/zinc/49/09/53/1206490953.db2.gz YIUAIUYABUJUAH-BQFCYCMXSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039567 1206490955 /nfs/dbraw/zinc/49/09/55/1206490955.db2.gz YIUAIUYABUJUAH-BQFCYCMXSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039567 1206490957 /nfs/dbraw/zinc/49/09/57/1206490957.db2.gz YIUAIUYABUJUAH-BQFCYCMXSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039567 1206490958 /nfs/dbraw/zinc/49/09/58/1206490958.db2.gz YIUAIUYABUJUAH-BQFCYCMXSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC2(CC[NH+](Cc3cccnc3)C2)CC1 ZINC001186039314 1206492073 /nfs/dbraw/zinc/49/20/73/1206492073.db2.gz WXTVKPSQHNXXNL-SFHVURJKSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001186039314 1206492074 /nfs/dbraw/zinc/49/20/74/1206492074.db2.gz WXTVKPSQHNXXNL-SFHVURJKSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001186039314 1206492075 /nfs/dbraw/zinc/49/20/75/1206492075.db2.gz WXTVKPSQHNXXNL-SFHVURJKSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186381771 1206496848 /nfs/dbraw/zinc/49/68/48/1206496848.db2.gz MFDBSEZCOWKBGO-FGTMMUONSA-N 2 1 367.534 0.944 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642862 1224981839 /nfs/dbraw/zinc/98/18/39/1224981839.db2.gz MQPIMEPZDXRZLR-MSOLQXFVSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642862 1224981845 /nfs/dbraw/zinc/98/18/45/1224981845.db2.gz MQPIMEPZDXRZLR-MSOLQXFVSA-N 2 1 362.474 0.162 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001188075337 1207420993 /nfs/dbraw/zinc/42/09/93/1207420993.db2.gz WNBBYEBLFSUNRV-BHYGNILZSA-N 2 1 368.497 0.820 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001188075337 1207420998 /nfs/dbraw/zinc/42/09/98/1207420998.db2.gz WNBBYEBLFSUNRV-BHYGNILZSA-N 2 1 368.497 0.820 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188107731 1207422488 /nfs/dbraw/zinc/42/24/88/1207422488.db2.gz XGQCXATYHCQJJC-GVDBMIGSSA-N 2 1 368.497 0.725 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001188107076 1207422872 /nfs/dbraw/zinc/42/28/72/1207422872.db2.gz GQYVWWUOBBTVSG-ARFHVFGLSA-N 2 1 369.485 0.224 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405169 1207454739 /nfs/dbraw/zinc/45/47/39/1207454739.db2.gz CFWMDUFUFCMSRP-USXIJHARSA-N 2 1 357.458 0.329 20 0 FCADMP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188518232 1207459761 /nfs/dbraw/zinc/45/97/61/1207459761.db2.gz METSXYCHJXOABI-MAUKXSAKSA-N 2 1 371.441 0.423 20 0 FCADMP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001188985663 1207494704 /nfs/dbraw/zinc/49/47/04/1207494704.db2.gz PVCCMLDCFGIKBR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001188985663 1207494711 /nfs/dbraw/zinc/49/47/11/1207494711.db2.gz PVCCMLDCFGIKBR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001188979577 1207496789 /nfs/dbraw/zinc/49/67/89/1207496789.db2.gz RANZGDTWDMSDDM-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001188979577 1207496791 /nfs/dbraw/zinc/49/67/91/1207496791.db2.gz RANZGDTWDMSDDM-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)C2 ZINC001189136438 1207512116 /nfs/dbraw/zinc/51/21/16/1207512116.db2.gz YBWLCXZRUPHJIO-SOLBZPMBSA-N 2 1 362.474 0.296 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001189136438 1207512121 /nfs/dbraw/zinc/51/21/21/1207512121.db2.gz YBWLCXZRUPHJIO-SOLBZPMBSA-N 2 1 362.474 0.296 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667642 1225001691 /nfs/dbraw/zinc/00/16/91/1225001691.db2.gz OJRIXOQAOXICNE-IKGGRYGDSA-N 2 1 368.522 0.312 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667642 1225001700 /nfs/dbraw/zinc/00/17/00/1225001700.db2.gz OJRIXOQAOXICNE-IKGGRYGDSA-N 2 1 368.522 0.312 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001189317393 1207532760 /nfs/dbraw/zinc/53/27/60/1207532760.db2.gz NGMPAMOGGQVJNS-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001189317393 1207532762 /nfs/dbraw/zinc/53/27/62/1207532762.db2.gz NGMPAMOGGQVJNS-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(CCCCN1CCOCC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189425923 1207547440 /nfs/dbraw/zinc/54/74/40/1207547440.db2.gz SULZNHZQICLHNL-ZWKOTPCHSA-N 2 1 369.506 0.031 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189425923 1207547444 /nfs/dbraw/zinc/54/74/44/1207547444.db2.gz SULZNHZQICLHNL-ZWKOTPCHSA-N 2 1 369.506 0.031 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189425923 1207547451 /nfs/dbraw/zinc/54/74/51/1207547451.db2.gz SULZNHZQICLHNL-ZWKOTPCHSA-N 2 1 369.506 0.031 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189922884 1207621353 /nfs/dbraw/zinc/62/13/53/1207621353.db2.gz FSYRWAOCPNYTRG-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247115 1207668155 /nfs/dbraw/zinc/66/81/55/1207668155.db2.gz LFKRDCILYLVSAW-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247115 1207668156 /nfs/dbraw/zinc/66/81/56/1207668156.db2.gz LFKRDCILYLVSAW-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247115 1207668158 /nfs/dbraw/zinc/66/81/58/1207668158.db2.gz LFKRDCILYLVSAW-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247115 1207668161 /nfs/dbraw/zinc/66/81/61/1207668161.db2.gz LFKRDCILYLVSAW-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247115 1207668163 /nfs/dbraw/zinc/66/81/63/1207668163.db2.gz LFKRDCILYLVSAW-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351416 1207679581 /nfs/dbraw/zinc/67/95/81/1207679581.db2.gz YRFPREUQLIWYTK-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351416 1207679583 /nfs/dbraw/zinc/67/95/83/1207679583.db2.gz YRFPREUQLIWYTK-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351416 1207679584 /nfs/dbraw/zinc/67/95/84/1207679584.db2.gz YRFPREUQLIWYTK-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351416 1207679585 /nfs/dbraw/zinc/67/95/85/1207679585.db2.gz YRFPREUQLIWYTK-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901620 1207732232 /nfs/dbraw/zinc/73/22/32/1207732232.db2.gz ZNCWYSKUUUOODR-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901620 1207732240 /nfs/dbraw/zinc/73/22/40/1207732240.db2.gz ZNCWYSKUUUOODR-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901620 1207732247 /nfs/dbraw/zinc/73/22/47/1207732247.db2.gz ZNCWYSKUUUOODR-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCN3CCCC3=O)C2)O1 ZINC001190901620 1207732253 /nfs/dbraw/zinc/73/22/53/1207732253.db2.gz ZNCWYSKUUUOODR-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CN1CCN(C(=O)NCC[N@@H+](C)C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775430745 1207752064 /nfs/dbraw/zinc/75/20/64/1207752064.db2.gz QOEUUBZYINMCBK-HNNXBMFYSA-N 2 1 369.510 0.931 20 0 FCADMP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001193102417 1207858723 /nfs/dbraw/zinc/85/87/23/1207858723.db2.gz IYBYGULSKXWGQK-USXIJHARSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001193102417 1207858725 /nfs/dbraw/zinc/85/87/25/1207858725.db2.gz IYBYGULSKXWGQK-USXIJHARSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001193102417 1207858728 /nfs/dbraw/zinc/85/87/28/1207858728.db2.gz IYBYGULSKXWGQK-USXIJHARSA-N 2 1 364.490 0.985 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001193738134 1207886574 /nfs/dbraw/zinc/88/65/74/1207886574.db2.gz ONMGWAMHYNYFKM-FGTMMUONSA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001193738134 1207886576 /nfs/dbraw/zinc/88/65/76/1207886576.db2.gz ONMGWAMHYNYFKM-FGTMMUONSA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001193738134 1207886578 /nfs/dbraw/zinc/88/65/78/1207886578.db2.gz ONMGWAMHYNYFKM-FGTMMUONSA-N 2 1 371.497 0.931 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCn2cc(C(=O)NC3CC[NH+](C)CC3)nc2C1 ZINC001273667018 1207897204 /nfs/dbraw/zinc/89/72/04/1207897204.db2.gz ZHPBVNVBZHWSGT-UHFFFAOYSA-N 2 1 362.478 0.001 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001194119563 1207916433 /nfs/dbraw/zinc/91/64/33/1207916433.db2.gz YCUSTWPHDOOANR-IXDOHACOSA-N 2 1 364.494 0.094 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001194119563 1207916436 /nfs/dbraw/zinc/91/64/36/1207916436.db2.gz YCUSTWPHDOOANR-IXDOHACOSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001194119563 1207916443 /nfs/dbraw/zinc/91/64/43/1207916443.db2.gz YCUSTWPHDOOANR-IXDOHACOSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001194119563 1207916447 /nfs/dbraw/zinc/91/64/47/1207916447.db2.gz YCUSTWPHDOOANR-IXDOHACOSA-N 2 1 364.494 0.094 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001194308369 1207931089 /nfs/dbraw/zinc/93/10/89/1207931089.db2.gz KBOMXRDHIQZBTK-QZTJIDSGSA-N 2 1 358.442 0.844 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001194308369 1207931091 /nfs/dbraw/zinc/93/10/91/1207931091.db2.gz KBOMXRDHIQZBTK-QZTJIDSGSA-N 2 1 358.442 0.844 20 0 FCADMP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)c1 ZINC001194289296 1207934669 /nfs/dbraw/zinc/93/46/69/1207934669.db2.gz HZMPNBDRLPKTNA-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)c1 ZINC001194289296 1207934671 /nfs/dbraw/zinc/93/46/71/1207934671.db2.gz HZMPNBDRLPKTNA-RTBURBONSA-N 2 1 369.469 0.973 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291279 1207935566 /nfs/dbraw/zinc/93/55/66/1207935566.db2.gz NDDUBGUJHPQYCT-DOTOQJQBSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291279 1207935569 /nfs/dbraw/zinc/93/55/69/1207935569.db2.gz NDDUBGUJHPQYCT-DOTOQJQBSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194604020 1207964869 /nfs/dbraw/zinc/96/48/69/1207964869.db2.gz PCGUYRYBJMXJRZ-IAOVAPTHSA-N 2 1 359.430 0.203 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221698 1208010587 /nfs/dbraw/zinc/01/05/87/1208010587.db2.gz BXJBBNUEAIFGLE-GVDBMIGSSA-N 2 1 369.506 0.218 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001195661956 1208034719 /nfs/dbraw/zinc/03/47/19/1208034719.db2.gz VQMZGEBNEPAHSI-QZTJIDSGSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001195661956 1208034723 /nfs/dbraw/zinc/03/47/23/1208034723.db2.gz VQMZGEBNEPAHSI-QZTJIDSGSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001196167290 1208062962 /nfs/dbraw/zinc/06/29/62/1208062962.db2.gz DFXUEHQWSLMNMG-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001196167290 1208062966 /nfs/dbraw/zinc/06/29/66/1208062966.db2.gz DFXUEHQWSLMNMG-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001196167290 1208062969 /nfs/dbraw/zinc/06/29/69/1208062969.db2.gz DFXUEHQWSLMNMG-BRWVUGGUSA-N 2 1 364.494 0.094 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)n1 ZINC001196206470 1208065864 /nfs/dbraw/zinc/06/58/64/1208065864.db2.gz CXBVSYZUGWXPFK-IAGOWNOFSA-N 2 1 365.522 0.639 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196206470 1208065869 /nfs/dbraw/zinc/06/58/69/1208065869.db2.gz CXBVSYZUGWXPFK-IAGOWNOFSA-N 2 1 365.522 0.639 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196206470 1208065871 /nfs/dbraw/zinc/06/58/71/1208065871.db2.gz CXBVSYZUGWXPFK-IAGOWNOFSA-N 2 1 365.522 0.639 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268228 1208069661 /nfs/dbraw/zinc/06/96/61/1208069661.db2.gz CYBFCZNYYFUCFB-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268228 1208069664 /nfs/dbraw/zinc/06/96/64/1208069664.db2.gz CYBFCZNYYFUCFB-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001196636936 1208098774 /nfs/dbraw/zinc/09/87/74/1208098774.db2.gz GGNJEHWOUNRTLZ-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000895 1208127759 /nfs/dbraw/zinc/12/77/59/1208127759.db2.gz NSRWMNFWQYRGHD-BRWVUGGUSA-N 2 1 370.538 0.704 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000269 1208128162 /nfs/dbraw/zinc/12/81/62/1208128162.db2.gz ASLXUZQLJQXGGT-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000269 1208128164 /nfs/dbraw/zinc/12/81/64/1208128164.db2.gz ASLXUZQLJQXGGT-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000269 1208128166 /nfs/dbraw/zinc/12/81/66/1208128166.db2.gz ASLXUZQLJQXGGT-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000269 1208128171 /nfs/dbraw/zinc/12/81/71/1208128171.db2.gz ASLXUZQLJQXGGT-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001197058695 1208132405 /nfs/dbraw/zinc/13/24/05/1208132405.db2.gz XBLVBQNKCRPLPV-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001197058695 1208132406 /nfs/dbraw/zinc/13/24/06/1208132406.db2.gz XBLVBQNKCRPLPV-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197252537 1208149268 /nfs/dbraw/zinc/14/92/68/1208149268.db2.gz DKQVQLLQASKNPB-QZTJIDSGSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197252537 1208149272 /nfs/dbraw/zinc/14/92/72/1208149272.db2.gz DKQVQLLQASKNPB-QZTJIDSGSA-N 2 1 362.474 0.162 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197643858 1208180696 /nfs/dbraw/zinc/18/06/96/1208180696.db2.gz FZQMHRMGSSYDFW-RTBURBONSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197643858 1208180702 /nfs/dbraw/zinc/18/07/02/1208180702.db2.gz FZQMHRMGSSYDFW-RTBURBONSA-N 2 1 367.534 0.942 20 0 FCADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742896 1208192641 /nfs/dbraw/zinc/19/26/41/1208192641.db2.gz LANXCYYVVGKRNR-QRVBRYPASA-N 2 1 371.485 0.737 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826371 1208202019 /nfs/dbraw/zinc/20/20/19/1208202019.db2.gz UJMYSUXLAIOLRK-QZTJIDSGSA-N 2 1 365.474 0.113 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826371 1208202023 /nfs/dbraw/zinc/20/20/23/1208202023.db2.gz UJMYSUXLAIOLRK-QZTJIDSGSA-N 2 1 365.474 0.113 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028872 1208215471 /nfs/dbraw/zinc/21/54/71/1208215471.db2.gz KRTZUZJXDCYPIF-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028872 1208215473 /nfs/dbraw/zinc/21/54/73/1208215473.db2.gz KRTZUZJXDCYPIF-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028872 1208215475 /nfs/dbraw/zinc/21/54/75/1208215475.db2.gz KRTZUZJXDCYPIF-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028872 1208215476 /nfs/dbraw/zinc/21/54/76/1208215476.db2.gz KRTZUZJXDCYPIF-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024054 1208310085 /nfs/dbraw/zinc/31/00/85/1208310085.db2.gz YUSBZFOJJHBUSB-RCCFBDPRSA-N 2 1 371.522 0.057 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199024017 1208310382 /nfs/dbraw/zinc/31/03/82/1208310382.db2.gz XMYJSYNKECYPDQ-CEXWTWQISA-N 2 1 367.534 0.965 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199023457 1208310427 /nfs/dbraw/zinc/31/04/27/1208310427.db2.gz KLVMSGBMOZSLDF-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199071271 1208316479 /nfs/dbraw/zinc/31/64/79/1208316479.db2.gz QZFZFXWPFBYRSX-GUDVDZBRSA-N 2 1 367.534 0.965 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cccc3c2OCCO3)C[C@H]1O ZINC001199111738 1208321830 /nfs/dbraw/zinc/32/18/30/1208321830.db2.gz JWFOFYWWANYZRA-HZPDHXFCSA-N 2 1 363.458 0.459 20 0 FCADMP CN(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1 ZINC001199119274 1208322240 /nfs/dbraw/zinc/32/22/40/1208322240.db2.gz ADDRKDNCEZIKGY-GUDVDZBRSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1 ZINC001199119274 1208322243 /nfs/dbraw/zinc/32/22/43/1208322243.db2.gz ADDRKDNCEZIKGY-GUDVDZBRSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1 ZINC001199119274 1208322249 /nfs/dbraw/zinc/32/22/49/1208322249.db2.gz ADDRKDNCEZIKGY-GUDVDZBRSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+]1CCN(c2ccncc2C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001199358204 1208342660 /nfs/dbraw/zinc/34/26/60/1208342660.db2.gz ZAZYPGHKUCJEEW-HNNXBMFYSA-N 2 1 367.457 0.622 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001220764785 1225060564 /nfs/dbraw/zinc/06/05/64/1225060564.db2.gz WOANDWFAMYNCLN-KURKYZTESA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001220764785 1225060570 /nfs/dbraw/zinc/06/05/70/1225060570.db2.gz WOANDWFAMYNCLN-KURKYZTESA-N 2 1 365.449 0.553 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764520 1225060668 /nfs/dbraw/zinc/06/06/68/1225060668.db2.gz NQASZUPUANDOOR-SJORKVTESA-N 2 1 365.474 0.113 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764520 1225060677 /nfs/dbraw/zinc/06/06/77/1225060677.db2.gz NQASZUPUANDOOR-SJORKVTESA-N 2 1 365.474 0.113 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220768650 1225063425 /nfs/dbraw/zinc/06/34/25/1225063425.db2.gz WXKOTDFYJPOHRH-MSOLQXFVSA-N 2 1 371.522 0.323 20 0 FCADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574429 1208479580 /nfs/dbraw/zinc/47/95/80/1208479580.db2.gz MZGZUURWSDSGOF-IDCNUPLLSA-N 2 1 363.506 0.941 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220798846 1225079948 /nfs/dbraw/zinc/07/99/48/1225079948.db2.gz ITCVKVVCWYVCSR-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220798846 1225079952 /nfs/dbraw/zinc/07/99/52/1225079952.db2.gz ITCVKVVCWYVCSR-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001489205541 1208668560 /nfs/dbraw/zinc/66/85/60/1208668560.db2.gz JFECVZAUCYLFMK-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001489205541 1208668568 /nfs/dbraw/zinc/66/85/68/1208668568.db2.gz JFECVZAUCYLFMK-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001489205541 1208668571 /nfs/dbraw/zinc/66/85/71/1208668571.db2.gz JFECVZAUCYLFMK-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207289 1208671780 /nfs/dbraw/zinc/67/17/80/1208671780.db2.gz UCLKNKCEHRJHJI-FGTMMUONSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207289 1208671782 /nfs/dbraw/zinc/67/17/82/1208671782.db2.gz UCLKNKCEHRJHJI-FGTMMUONSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207289 1208671787 /nfs/dbraw/zinc/67/17/87/1208671787.db2.gz UCLKNKCEHRJHJI-FGTMMUONSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817041 1225087278 /nfs/dbraw/zinc/08/72/78/1225087278.db2.gz LTTQESGGMVPNDG-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817041 1225087283 /nfs/dbraw/zinc/08/72/83/1225087283.db2.gz LTTQESGGMVPNDG-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817041 1225087291 /nfs/dbraw/zinc/08/72/91/1225087291.db2.gz LTTQESGGMVPNDG-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817041 1225087294 /nfs/dbraw/zinc/08/72/94/1225087294.db2.gz LTTQESGGMVPNDG-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826211 1225090298 /nfs/dbraw/zinc/09/02/98/1225090298.db2.gz SFBLDKYHJDFMAV-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826211 1225090304 /nfs/dbraw/zinc/09/03/04/1225090304.db2.gz SFBLDKYHJDFMAV-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826211 1225090313 /nfs/dbraw/zinc/09/03/13/1225090313.db2.gz SFBLDKYHJDFMAV-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882284 1225122639 /nfs/dbraw/zinc/12/26/39/1225122639.db2.gz USSCGZPXEXDOBN-BRWVUGGUSA-N 2 1 357.454 0.633 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882284 1225122640 /nfs/dbraw/zinc/12/26/40/1225122640.db2.gz USSCGZPXEXDOBN-BRWVUGGUSA-N 2 1 357.454 0.633 20 0 FCADMP O=C(CCc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531663 /nfs/dbraw/zinc/53/16/63/1209531663.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 1 358.446 0.321 20 0 FCADMP O=C(CCc1cnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531667 /nfs/dbraw/zinc/53/16/67/1209531667.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 1 358.446 0.321 20 0 FCADMP O=C(CCc1cnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531669 /nfs/dbraw/zinc/53/16/69/1209531669.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 1 358.446 0.321 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001110716077 1209734661 /nfs/dbraw/zinc/73/46/61/1209734661.db2.gz JXBGWQSELSQCPT-HHARLNAUSA-N 2 1 366.506 0.031 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000857102360 1209741163 /nfs/dbraw/zinc/74/11/63/1209741163.db2.gz NXSFHOWUIQZUHO-HNAYVOBHSA-N 2 1 368.441 0.532 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857100904 1209741274 /nfs/dbraw/zinc/74/12/74/1209741274.db2.gz OQTHUGATLGUSGB-HNAYVOBHSA-N 2 1 368.441 0.532 20 0 FCADMP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000858192581 1209779267 /nfs/dbraw/zinc/77/92/67/1209779267.db2.gz NLDUPHWKYYQKCU-IRXDYDNUSA-N 2 1 366.506 0.746 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748885 1209794300 /nfs/dbraw/zinc/79/43/00/1209794300.db2.gz WZKNEBRAQJPIFT-SIUPPRGNSA-N 2 1 358.442 0.985 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000863773989 1209951898 /nfs/dbraw/zinc/95/18/98/1209951898.db2.gz NLUZCWUXQLVTDT-JXFKEZNVSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(F)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000865894327 1209987047 /nfs/dbraw/zinc/98/70/47/1209987047.db2.gz KORUWSRYZSFXGN-HOTGVXAUSA-N 2 1 370.513 0.925 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215008 1210044619 /nfs/dbraw/zinc/04/46/19/1210044619.db2.gz AFENMDJMTUBRTB-ZWKOTPCHSA-N 2 1 365.522 0.271 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000868286522 1210049901 /nfs/dbraw/zinc/04/99/01/1210049901.db2.gz OHTUSDCUKXXWAF-HUUCEWRRSA-N 2 1 359.474 0.715 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254700 1210182622 /nfs/dbraw/zinc/18/26/22/1210182622.db2.gz BYRXHTNYOLJJPJ-JFRXWTBNSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254700 1210182629 /nfs/dbraw/zinc/18/26/29/1210182629.db2.gz BYRXHTNYOLJJPJ-JFRXWTBNSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254700 1210182639 /nfs/dbraw/zinc/18/26/39/1210182639.db2.gz BYRXHTNYOLJJPJ-JFRXWTBNSA-N 2 1 367.534 0.941 20 0 FCADMP CC1(C)CC[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000872298327 1210187521 /nfs/dbraw/zinc/18/75/21/1210187521.db2.gz FNKLKUJKDMBLGM-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000875085065 1210336019 /nfs/dbraw/zinc/33/60/19/1210336019.db2.gz UAKWMYRJOHWVJY-UHFFFAOYSA-N 2 1 365.522 0.714 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001221073138 1225210144 /nfs/dbraw/zinc/21/01/44/1225210144.db2.gz HVYAEPFZHNUOLS-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001221073138 1225210149 /nfs/dbraw/zinc/21/01/49/1225210149.db2.gz HVYAEPFZHNUOLS-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000876807929 1210431818 /nfs/dbraw/zinc/43/18/18/1210431818.db2.gz BTTMEDMCAIZOQC-HZPDHXFCSA-N 2 1 374.489 0.152 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000876881287 1210432627 /nfs/dbraw/zinc/43/26/27/1210432627.db2.gz XIBQNEGISYXLIO-KRWDZBQOSA-N 2 1 362.522 0.826 20 0 FCADMP O=C(C[N@@H+]1C[C@H](CO)[C@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000879694256 1210493813 /nfs/dbraw/zinc/49/38/13/1210493813.db2.gz YUMOCZRQDSVCIG-KDURUIRLSA-N 2 1 361.486 0.431 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089928 1225218395 /nfs/dbraw/zinc/21/83/95/1225218395.db2.gz UVEWXKHYXNLXRS-QRVBRYPASA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089928 1225218401 /nfs/dbraw/zinc/21/84/01/1225218401.db2.gz UVEWXKHYXNLXRS-QRVBRYPASA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@H](O)C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089928 1225218406 /nfs/dbraw/zinc/21/84/06/1225218406.db2.gz UVEWXKHYXNLXRS-QRVBRYPASA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@H](O)C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221089928 1225218412 /nfs/dbraw/zinc/21/84/12/1225218412.db2.gz UVEWXKHYXNLXRS-QRVBRYPASA-N 2 1 363.502 0.784 20 0 FCADMP O=C(CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000880071370 1210513987 /nfs/dbraw/zinc/51/39/87/1210513987.db2.gz YGIRGRYTKRAYQM-VQTJNVASSA-N 2 1 372.513 0.472 20 0 FCADMP O=C(CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000880071370 1210513993 /nfs/dbraw/zinc/51/39/93/1210513993.db2.gz YGIRGRYTKRAYQM-VQTJNVASSA-N 2 1 372.513 0.472 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000883603656 1210672794 /nfs/dbraw/zinc/67/27/94/1210672794.db2.gz AMGZPMCYEDQIFO-GOSISDBHSA-N 2 1 371.485 0.731 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883609975 1210675193 /nfs/dbraw/zinc/67/51/93/1210675193.db2.gz JOSKCFOWUQEKPU-ZTFGCOKTSA-N 2 1 371.485 0.715 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1(C[NH3+])CCCCC1 ZINC000883654205 1210680304 /nfs/dbraw/zinc/68/03/04/1210680304.db2.gz VZACRCUASWEJEF-INIZCTEOSA-N 2 1 366.506 0.287 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884233866 1210724944 /nfs/dbraw/zinc/72/49/44/1210724944.db2.gz BADZLONYCALIKH-UHFFFAOYSA-N 2 1 374.533 0.639 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC000884236319 1210725893 /nfs/dbraw/zinc/72/58/93/1210725893.db2.gz RDNUVDPFJBJEGU-GOSISDBHSA-N 2 1 372.517 0.343 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000884252453 1210726788 /nfs/dbraw/zinc/72/67/88/1210726788.db2.gz KNDAKFBSJMUEOX-MRXNPFEDSA-N 2 1 360.458 0.321 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000884316272 1210729975 /nfs/dbraw/zinc/72/99/75/1210729975.db2.gz NVAXEQFFENNFHF-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP CCN(C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000884539842 1210747127 /nfs/dbraw/zinc/74/71/27/1210747127.db2.gz MAXSRXXUYMETLT-SFHVURJKSA-N 2 1 374.485 0.345 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C[NH+]1CCOCC1 ZINC000884544658 1210747144 /nfs/dbraw/zinc/74/71/44/1210747144.db2.gz MIOKKRCBGQWAHT-OAHLLOKOSA-N 2 1 374.485 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884555460 1210750130 /nfs/dbraw/zinc/75/01/30/1210750130.db2.gz RRHNMNPGSGKUHH-RPVQJOFSSA-N 2 1 356.470 0.416 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884559776 1210751217 /nfs/dbraw/zinc/75/12/17/1210751217.db2.gz DMATVYKULRJTHO-CRAIPNDOSA-N 2 1 372.513 0.993 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884560370 1210751979 /nfs/dbraw/zinc/75/19/79/1210751979.db2.gz VUOZNXNOPFUHRC-HDICACEKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572793 1210754805 /nfs/dbraw/zinc/75/48/05/1210754805.db2.gz VYTDUXCDFWPSBV-MXSMSXNCSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884577258 1210755315 /nfs/dbraw/zinc/75/53/15/1210755315.db2.gz ANILWCCKJUWJGK-ZNMIVQPWSA-N 2 1 374.476 0.832 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608414 1210761998 /nfs/dbraw/zinc/76/19/98/1210761998.db2.gz QCYWIKXAXSMZFR-ABSDTBQOSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608240 1210762205 /nfs/dbraw/zinc/76/22/05/1210762205.db2.gz NIRSOOBJSWPIPG-UEXGIBASSA-N 2 1 370.497 0.978 20 0 FCADMP [NH3+][C@@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627633 1210767159 /nfs/dbraw/zinc/76/71/59/1210767159.db2.gz WSENSWGJCJELCI-IRXDYDNUSA-N 2 1 358.486 0.663 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000884660519 1210774135 /nfs/dbraw/zinc/77/41/35/1210774135.db2.gz VSHFWDSUJRNKTE-JLSDUUJJSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000884660520 1210774475 /nfs/dbraw/zinc/77/44/75/1210774475.db2.gz VSHFWDSUJRNKTE-OLMNPRSZSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681417 1210778877 /nfs/dbraw/zinc/77/88/77/1210778877.db2.gz VEARINICASBDEZ-BHIYHBOVSA-N 2 1 372.513 0.987 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000884691358 1210782486 /nfs/dbraw/zinc/78/24/86/1210782486.db2.gz FKXDJEWAESOJEY-SJLPKXTDSA-N 2 1 358.486 0.801 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)c1 ZINC000884706589 1210784597 /nfs/dbraw/zinc/78/45/97/1210784597.db2.gz IAURMESMZYZAAR-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)c1 ZINC000884706589 1210784604 /nfs/dbraw/zinc/78/46/04/1210784604.db2.gz IAURMESMZYZAAR-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)c1 ZINC000884706586 1210784996 /nfs/dbraw/zinc/78/49/96/1210784996.db2.gz IAURMESMZYZAAR-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)c1 ZINC000884706586 1210785005 /nfs/dbraw/zinc/78/50/05/1210785005.db2.gz IAURMESMZYZAAR-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000884718190 1210787524 /nfs/dbraw/zinc/78/75/24/1210787524.db2.gz WVSRWQBOWMWAPY-NJAFHUGGSA-N 2 1 358.486 0.942 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884722659 1210789311 /nfs/dbraw/zinc/78/93/11/1210789311.db2.gz GTNZXWOFGVGQNF-NUJGCVRESA-N 2 1 360.502 0.985 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884722658 1210789764 /nfs/dbraw/zinc/78/97/64/1210789764.db2.gz GTNZXWOFGVGQNF-LZLYRXPVSA-N 2 1 360.502 0.985 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884796176 1210796126 /nfs/dbraw/zinc/79/61/26/1210796126.db2.gz CQHNXLWGNPURJC-RIFZZMRRSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789851 1210796208 /nfs/dbraw/zinc/79/62/08/1210796208.db2.gz DOSPPGFLKFMTRE-TYJOOELLSA-N 2 1 370.497 0.739 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884797300 1210797090 /nfs/dbraw/zinc/79/70/90/1210797090.db2.gz RPDKASXNKUTCCH-WBVHZDCISA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884797300 1210797094 /nfs/dbraw/zinc/79/70/94/1210797094.db2.gz RPDKASXNKUTCCH-WBVHZDCISA-N 2 1 362.474 0.036 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824555 1210799707 /nfs/dbraw/zinc/79/97/07/1210799707.db2.gz ACEJUJOMNDMRCN-CWLKWCNXSA-N 2 1 358.486 0.737 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832832 1210800130 /nfs/dbraw/zinc/80/01/30/1210800130.db2.gz AWKYQRYPKNKFKL-BQFCYCMXSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884835376 1210800376 /nfs/dbraw/zinc/80/03/76/1210800376.db2.gz QHDGQYDRMWKGJX-NXHRZFHOSA-N 2 1 358.486 0.678 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884834969 1210800507 /nfs/dbraw/zinc/80/05/07/1210800507.db2.gz ICDQRBVZHFFLKF-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884881754 1210802670 /nfs/dbraw/zinc/80/26/70/1210802670.db2.gz ILFFOYGGAVGBPB-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884881754 1210802673 /nfs/dbraw/zinc/80/26/73/1210802673.db2.gz ILFFOYGGAVGBPB-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000884885179 1210802933 /nfs/dbraw/zinc/80/29/33/1210802933.db2.gz UYRRNRUYDIWSFU-JKSUJKDBSA-N 2 1 366.506 0.062 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884892817 1210803141 /nfs/dbraw/zinc/80/31/41/1210803141.db2.gz ZIBREDKIWIEUHF-ROUUACIJSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000884972479 1210806099 /nfs/dbraw/zinc/80/60/99/1210806099.db2.gz PWJSKDWTKIJKMZ-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000884972479 1210806102 /nfs/dbraw/zinc/80/61/02/1210806102.db2.gz PWJSKDWTKIJKMZ-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)cc1 ZINC000884982436 1210806552 /nfs/dbraw/zinc/80/65/52/1210806552.db2.gz BQBYURBZPXPOSP-BBTUJRGHSA-N 2 1 370.497 0.753 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884983377 1210806923 /nfs/dbraw/zinc/80/69/23/1210806923.db2.gz QFIASIRLMHZYLM-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000884984102 1210807094 /nfs/dbraw/zinc/80/70/94/1210807094.db2.gz QEYDBDUWQQXXQI-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000884984102 1210807097 /nfs/dbraw/zinc/80/70/97/1210807097.db2.gz QEYDBDUWQQXXQI-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884983432 1210807150 /nfs/dbraw/zinc/80/71/50/1210807150.db2.gz RCXJSTDIBYQXCG-MSOLQXFVSA-N 2 1 358.486 0.896 20 0 FCADMP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000884985780 1210807388 /nfs/dbraw/zinc/80/73/88/1210807388.db2.gz APFVNPNCTKRDMQ-OHTSDLOESA-N 2 1 373.501 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885161603 1210814108 /nfs/dbraw/zinc/81/41/08/1210814108.db2.gz HCUXHNAUGGBXSV-GOSISDBHSA-N 2 1 369.469 0.871 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)n2)CC1 ZINC000885876765 1210821311 /nfs/dbraw/zinc/82/13/11/1210821311.db2.gz XTSJJWBYBYWUMU-QGZVFWFLSA-N 2 1 373.501 0.817 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872185 1210838818 /nfs/dbraw/zinc/83/88/18/1210838818.db2.gz LSBIXSYDYHNXMM-ICSRJNTNSA-N 2 1 366.550 0.925 20 0 FCADMP CCN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000886994429 1210841929 /nfs/dbraw/zinc/84/19/29/1210841929.db2.gz WILZJSBHTZAXCO-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887068525 1210845510 /nfs/dbraw/zinc/84/55/10/1210845510.db2.gz NNNLEGLYCRRJDM-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887068525 1210845511 /nfs/dbraw/zinc/84/55/11/1210845511.db2.gz NNNLEGLYCRRJDM-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)ccn2)CC1 ZINC000889770692 1210949872 /nfs/dbraw/zinc/94/98/72/1210949872.db2.gz UXUQZDYBCKNNNW-QZTJIDSGSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)ccn2)CC1 ZINC000889770692 1210949877 /nfs/dbraw/zinc/94/98/77/1210949877.db2.gz UXUQZDYBCKNNNW-QZTJIDSGSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890134745 1210966844 /nfs/dbraw/zinc/96/68/44/1210966844.db2.gz RDCWAFOIOZZPOK-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890134743 1210967374 /nfs/dbraw/zinc/96/73/74/1210967374.db2.gz RDCWAFOIOZZPOK-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)CC1 ZINC001274368991 1211037666 /nfs/dbraw/zinc/03/76/66/1211037666.db2.gz AWNLPYVDJJWBMW-KDURUIRLSA-N 2 1 365.566 0.356 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2CC1 ZINC001274408073 1211046278 /nfs/dbraw/zinc/04/62/78/1211046278.db2.gz JEYIDIFEEMEEOU-CALCHBBNSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068637 1211173543 /nfs/dbraw/zinc/17/35/43/1211173543.db2.gz JTKWMASBEHORPG-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068637 1211173546 /nfs/dbraw/zinc/17/35/46/1211173546.db2.gz JTKWMASBEHORPG-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068637 1211173549 /nfs/dbraw/zinc/17/35/49/1211173549.db2.gz JTKWMASBEHORPG-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)CC[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275093053 1211175328 /nfs/dbraw/zinc/17/53/28/1211175328.db2.gz IIRCAXVZFNQITK-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)CC[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275093053 1211175329 /nfs/dbraw/zinc/17/53/29/1211175329.db2.gz IIRCAXVZFNQITK-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)CC[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275093053 1211175330 /nfs/dbraw/zinc/17/53/30/1211175330.db2.gz IIRCAXVZFNQITK-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161823 1211185150 /nfs/dbraw/zinc/18/51/50/1211185150.db2.gz JQIIWLRREFYJQP-IBGZPJMESA-N 2 1 360.506 0.472 20 0 FCADMP Cn1cccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275190171 1211194142 /nfs/dbraw/zinc/19/41/42/1211194142.db2.gz CHNPGLAMQOZCHV-LJQANCHMSA-N 2 1 357.458 0.973 20 0 FCADMP COc1cnccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275372108 1211225404 /nfs/dbraw/zinc/22/54/04/1211225404.db2.gz VFWXBZOZCOOCRU-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1cnccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275372108 1211225411 /nfs/dbraw/zinc/22/54/11/1211225411.db2.gz VFWXBZOZCOOCRU-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP Cc1[nH]c2ncccc2c1C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001275387783 1211229256 /nfs/dbraw/zinc/22/92/56/1211229256.db2.gz IWVRPBCCKJFBPO-UHFFFAOYSA-N 2 1 357.458 0.846 20 0 FCADMP COc1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)ccn1 ZINC001275406596 1211232406 /nfs/dbraw/zinc/23/24/06/1211232406.db2.gz OZKSCDRHUQVMMA-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)ccn1 ZINC001275406596 1211232408 /nfs/dbraw/zinc/23/24/08/1211232408.db2.gz OZKSCDRHUQVMMA-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447390 1211239330 /nfs/dbraw/zinc/23/93/30/1211239330.db2.gz JTKANBQOJBEYRZ-LPHOPBHVSA-N 2 1 359.474 0.963 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447390 1211239333 /nfs/dbraw/zinc/23/93/33/1211239333.db2.gz JTKANBQOJBEYRZ-LPHOPBHVSA-N 2 1 359.474 0.963 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449019 1211239952 /nfs/dbraw/zinc/23/99/52/1211239952.db2.gz YYBQFFJFXBBCIF-KDOFPFPSSA-N 2 1 359.430 0.099 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449019 1211239954 /nfs/dbraw/zinc/23/99/54/1211239954.db2.gz YYBQFFJFXBBCIF-KDOFPFPSSA-N 2 1 359.430 0.099 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001275455229 1211241340 /nfs/dbraw/zinc/24/13/40/1211241340.db2.gz HAWOSAMKDQXKGZ-QAPCUYQASA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455229 1211241343 /nfs/dbraw/zinc/24/13/43/1211241343.db2.gz HAWOSAMKDQXKGZ-QAPCUYQASA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455229 1211241347 /nfs/dbraw/zinc/24/13/47/1211241347.db2.gz HAWOSAMKDQXKGZ-QAPCUYQASA-N 2 1 362.430 0.107 20 0 FCADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCN(C[C@@H]3CCC(=O)N3)C2=O)CC1 ZINC001275455497 1211241760 /nfs/dbraw/zinc/24/17/60/1211241760.db2.gz LPHSITLWGJMPHJ-HNNXBMFYSA-N 2 1 357.458 0.587 20 0 FCADMP Nc1ccncc1CN1CC[C@@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456207 1211242399 /nfs/dbraw/zinc/24/23/99/1211242399.db2.gz VYASOVUDRDRCLS-LJQANCHMSA-N 2 1 360.458 0.724 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507856 1211252479 /nfs/dbraw/zinc/25/24/79/1211252479.db2.gz KXAAVQUDZDTVOC-KUHUBIRLSA-N 2 1 366.506 0.679 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[N@H+](CC4CC[NH+](C)CC4)C3)OCC2=O)n1 ZINC001275555427 1211256062 /nfs/dbraw/zinc/25/60/62/1211256062.db2.gz AUSGXNONNZMQME-SFHVURJKSA-N 2 1 363.462 0.523 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4nonc4c3)C2)OCC1=O ZINC001275719683 1211274989 /nfs/dbraw/zinc/27/49/89/1211274989.db2.gz MCZGMVXRIWYBSH-GOSISDBHSA-N 2 1 359.430 0.588 20 0 FCADMP Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736353 1211278843 /nfs/dbraw/zinc/27/88/43/1211278843.db2.gz DIJLGBVAPGXKMJ-GOSISDBHSA-N 2 1 360.462 0.156 20 0 FCADMP Cc1noc(CN2C(=O)C[C@]3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)C2=O)n1 ZINC001275736532 1211278957 /nfs/dbraw/zinc/27/89/57/1211278957.db2.gz FRPNPBULOCTAFN-SFHVURJKSA-N 2 1 361.446 0.719 20 0 FCADMP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738412 1211279190 /nfs/dbraw/zinc/27/91/90/1211279190.db2.gz YJHUSSILNMSRJS-IBGZPJMESA-N 2 1 365.474 0.779 20 0 FCADMP O=C1C[C@@]2(CN1CCn1ccnc1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738410 1211279303 /nfs/dbraw/zinc/27/93/03/1211279303.db2.gz YHSUVDACGMTIRB-LJQANCHMSA-N 3 1 361.490 0.434 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798358 1211285058 /nfs/dbraw/zinc/28/50/58/1211285058.db2.gz BIMYAJSXOHPKMH-MJGOQNOKSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798358 1211285061 /nfs/dbraw/zinc/28/50/61/1211285061.db2.gz BIMYAJSXOHPKMH-MJGOQNOKSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798358 1211285064 /nfs/dbraw/zinc/28/50/64/1211285064.db2.gz BIMYAJSXOHPKMH-MJGOQNOKSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798358 1211285066 /nfs/dbraw/zinc/28/50/66/1211285066.db2.gz BIMYAJSXOHPKMH-MJGOQNOKSA-N 2 1 361.490 0.681 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803948 1211286728 /nfs/dbraw/zinc/28/67/28/1211286728.db2.gz NXCIHFHXURRZBT-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803948 1211286731 /nfs/dbraw/zinc/28/67/31/1211286731.db2.gz NXCIHFHXURRZBT-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803948 1211286734 /nfs/dbraw/zinc/28/67/34/1211286734.db2.gz NXCIHFHXURRZBT-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803606 1211287330 /nfs/dbraw/zinc/28/73/30/1211287330.db2.gz KOVIMYBZSTVQED-ICSRJNTNSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803606 1211287332 /nfs/dbraw/zinc/28/73/32/1211287332.db2.gz KOVIMYBZSTVQED-ICSRJNTNSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803606 1211287336 /nfs/dbraw/zinc/28/73/36/1211287336.db2.gz KOVIMYBZSTVQED-ICSRJNTNSA-N 2 1 364.534 0.870 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833830 1211294012 /nfs/dbraw/zinc/29/40/12/1211294012.db2.gz QZRGIWBKVWSBKV-IBGZPJMESA-N 2 1 366.506 0.158 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000363477414 1211294547 /nfs/dbraw/zinc/29/45/47/1211294547.db2.gz VUJQKPVOWKLLMA-IRXDYDNUSA-N 2 1 363.506 0.563 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880715 1211305222 /nfs/dbraw/zinc/30/52/22/1211305222.db2.gz VUBHFFAQUQTVAX-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880715 1211305225 /nfs/dbraw/zinc/30/52/25/1211305225.db2.gz VUBHFFAQUQTVAX-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001275880715 1211305227 /nfs/dbraw/zinc/30/52/27/1211305227.db2.gz VUBHFFAQUQTVAX-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880715 1211305229 /nfs/dbraw/zinc/30/52/29/1211305229.db2.gz VUBHFFAQUQTVAX-FCEWJHQRSA-N 2 1 367.490 0.583 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881221 1211305437 /nfs/dbraw/zinc/30/54/37/1211305437.db2.gz XZUDRQXUFSCSLZ-BEFAXECRSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881221 1211305440 /nfs/dbraw/zinc/30/54/40/1211305440.db2.gz XZUDRQXUFSCSLZ-BEFAXECRSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O)OC ZINC001275881221 1211305445 /nfs/dbraw/zinc/30/54/45/1211305445.db2.gz XZUDRQXUFSCSLZ-BEFAXECRSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O)OC ZINC001275881221 1211305448 /nfs/dbraw/zinc/30/54/48/1211305448.db2.gz XZUDRQXUFSCSLZ-BEFAXECRSA-N 2 1 367.490 0.788 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894958 1211308002 /nfs/dbraw/zinc/30/80/02/1211308002.db2.gz COFGCGBREAJYTA-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894958 1211308004 /nfs/dbraw/zinc/30/80/04/1211308004.db2.gz COFGCGBREAJYTA-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894958 1211308006 /nfs/dbraw/zinc/30/80/06/1211308006.db2.gz COFGCGBREAJYTA-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3[nH]nc4ccccc43)C2)OCC1=O ZINC001275926980 1211311081 /nfs/dbraw/zinc/31/10/81/1211311081.db2.gz ONZHOIMVKCZEQD-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3[nH]nc4ccccc43)C2)OCC1=O ZINC001275926980 1211311085 /nfs/dbraw/zinc/31/10/85/1211311085.db2.gz ONZHOIMVKCZEQD-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001095431520 1211335222 /nfs/dbraw/zinc/33/52/22/1211335222.db2.gz FETXDKGUWNGSOU-IWCQGFGOSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001095431520 1211335223 /nfs/dbraw/zinc/33/52/23/1211335223.db2.gz FETXDKGUWNGSOU-IWCQGFGOSA-N 2 1 374.489 0.058 20 0 FCADMP CNc1ncccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276199519 1211379776 /nfs/dbraw/zinc/37/97/76/1211379776.db2.gz QUPSQQBNRTUGAE-IBGZPJMESA-N 2 1 361.490 0.736 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)O1 ZINC001095610611 1211425240 /nfs/dbraw/zinc/42/52/40/1211425240.db2.gz RRLSJTFPIHGCBL-FWEDZOCSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)O1 ZINC001095610611 1211425244 /nfs/dbraw/zinc/42/52/44/1211425244.db2.gz RRLSJTFPIHGCBL-FWEDZOCSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)O1 ZINC001095610611 1211425247 /nfs/dbraw/zinc/42/52/47/1211425247.db2.gz RRLSJTFPIHGCBL-FWEDZOCSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)O1 ZINC001095610611 1211425249 /nfs/dbraw/zinc/42/52/49/1211425249.db2.gz RRLSJTFPIHGCBL-FWEDZOCSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592026 1211438581 /nfs/dbraw/zinc/43/85/81/1211438581.db2.gz BOKGIJDNSIRDHU-BEFAXECRSA-N 2 1 361.490 0.973 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592029 1211438684 /nfs/dbraw/zinc/43/86/84/1211438684.db2.gz BOKGIJDNSIRDHU-HNAYVOBHSA-N 2 1 361.490 0.973 20 0 FCADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000924720951 1211478150 /nfs/dbraw/zinc/47/81/50/1211478150.db2.gz CCKAXYXWSWNCEL-LJQANCHMSA-N 2 1 372.513 0.819 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925408839 1211499558 /nfs/dbraw/zinc/49/95/58/1211499558.db2.gz BLBAVVGJNKLFMN-INIZCTEOSA-N 2 1 367.538 0.816 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC000926142986 1211517627 /nfs/dbraw/zinc/51/76/27/1211517627.db2.gz MHWSUPYCDPQBCJ-VXNCWWDNSA-N 2 1 363.506 0.654 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000926292290 1211527240 /nfs/dbraw/zinc/52/72/40/1211527240.db2.gz YQDCAMJLEBFSGZ-SFHVURJKSA-N 2 1 358.486 0.571 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000926292282 1211527445 /nfs/dbraw/zinc/52/74/45/1211527445.db2.gz YKOKDJDWUBBOHA-GOSISDBHSA-N 2 1 358.486 0.918 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000927644392 1211578475 /nfs/dbraw/zinc/57/84/75/1211578475.db2.gz MURPIZSGBZEPBX-WMZOPIPTSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000929732740 1211657432 /nfs/dbraw/zinc/65/74/32/1211657432.db2.gz NFZVPCSPYJEJBA-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000929732740 1211657437 /nfs/dbraw/zinc/65/74/37/1211657437.db2.gz NFZVPCSPYJEJBA-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221356706 1225301569 /nfs/dbraw/zinc/30/15/69/1225301569.db2.gz CGMPDQKZTCEYNF-KSZLIROESA-N 2 1 366.550 0.923 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000930973443 1211732957 /nfs/dbraw/zinc/73/29/57/1211732957.db2.gz WIOHORQQYOFZDO-QGZVFWFLSA-N 2 1 359.474 0.230 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000931875472 1211776311 /nfs/dbraw/zinc/77/63/11/1211776311.db2.gz PUYYCLHQVUMPBH-GOSISDBHSA-N 2 1 373.501 0.367 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000931875472 1211776313 /nfs/dbraw/zinc/77/63/13/1211776313.db2.gz PUYYCLHQVUMPBH-GOSISDBHSA-N 2 1 373.501 0.367 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031331 1211809270 /nfs/dbraw/zinc/80/92/70/1211809270.db2.gz SPDLMJRPSLQUTH-DGAVXFQQSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031331 1211809274 /nfs/dbraw/zinc/80/92/74/1211809274.db2.gz SPDLMJRPSLQUTH-DGAVXFQQSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031331 1211809275 /nfs/dbraw/zinc/80/92/75/1211809275.db2.gz SPDLMJRPSLQUTH-DGAVXFQQSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031331 1211809276 /nfs/dbraw/zinc/80/92/76/1211809276.db2.gz SPDLMJRPSLQUTH-DGAVXFQQSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111038912 1211818535 /nfs/dbraw/zinc/81/85/35/1211818535.db2.gz RCIHAPCPZIGHBX-MLHJIOFPSA-N 2 1 369.506 0.218 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[nH+]c1 ZINC000932800019 1211822595 /nfs/dbraw/zinc/82/25/95/1211822595.db2.gz FYPBKVWJLSNECA-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]c1 ZINC000932800019 1211822596 /nfs/dbraw/zinc/82/25/96/1211822596.db2.gz FYPBKVWJLSNECA-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP O=C1NC[C@H](O)CC12CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831165 1211824338 /nfs/dbraw/zinc/82/43/38/1211824338.db2.gz HSPVHMPKFJTKIF-WIYYLYMNSA-N 2 1 373.497 0.586 20 0 FCADMP O=C1NC[C@H](O)CC12CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831165 1211824340 /nfs/dbraw/zinc/82/43/40/1211824340.db2.gz HSPVHMPKFJTKIF-WIYYLYMNSA-N 2 1 373.497 0.586 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933848835 1211848847 /nfs/dbraw/zinc/84/88/47/1211848847.db2.gz RJANUONEEIEYHM-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123805 1211892059 /nfs/dbraw/zinc/89/20/59/1211892059.db2.gz KFIMEINOTUQRHP-HPBDAGMYSA-N 2 1 363.506 0.941 20 0 FCADMP CCc1cc(N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111142133 1211897695 /nfs/dbraw/zinc/89/76/95/1211897695.db2.gz TZAGZBOCKUKVFX-VVFCZOMOSA-N 2 1 361.490 0.745 20 0 FCADMP CCc1cc(N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111142133 1211897697 /nfs/dbraw/zinc/89/76/97/1211897697.db2.gz TZAGZBOCKUKVFX-VVFCZOMOSA-N 2 1 361.490 0.745 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC000968617363 1212048841 /nfs/dbraw/zinc/04/88/41/1212048841.db2.gz VRQNJOWGTKWYDF-IKGGRYGDSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC000968872603 1212163079 /nfs/dbraw/zinc/16/30/79/1212163079.db2.gz PKPPMIQVSOVJKB-XYPHTWIQSA-N 2 1 371.441 0.120 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274883 1212193521 /nfs/dbraw/zinc/19/35/21/1212193521.db2.gz MEBCHWNGPYJGJP-TVFCKZIOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274883 1212193528 /nfs/dbraw/zinc/19/35/28/1212193528.db2.gz MEBCHWNGPYJGJP-TVFCKZIOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274883 1212193533 /nfs/dbraw/zinc/19/35/33/1212193533.db2.gz MEBCHWNGPYJGJP-TVFCKZIOSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC000948541689 1212197542 /nfs/dbraw/zinc/19/75/42/1212197542.db2.gz IEBHYKUCIRKBHL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC000948541689 1212197544 /nfs/dbraw/zinc/19/75/44/1212197544.db2.gz IEBHYKUCIRKBHL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)O1 ZINC000948541689 1212197549 /nfs/dbraw/zinc/19/75/49/1212197549.db2.gz IEBHYKUCIRKBHL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)O1 ZINC000948541689 1212197552 /nfs/dbraw/zinc/19/75/52/1212197552.db2.gz IEBHYKUCIRKBHL-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111281362 1212232849 /nfs/dbraw/zinc/23/28/49/1212232849.db2.gz ORJGALSIQXJAJU-WCXIOVBPSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111281362 1212232855 /nfs/dbraw/zinc/23/28/55/1212232855.db2.gz ORJGALSIQXJAJU-WCXIOVBPSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281579 1212233213 /nfs/dbraw/zinc/23/32/13/1212233213.db2.gz YQDWVTHBSOGWMR-JJXSEGSLSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281579 1212233218 /nfs/dbraw/zinc/23/32/18/1212233218.db2.gz YQDWVTHBSOGWMR-JJXSEGSLSA-N 2 1 368.522 0.589 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001111281214 1212233328 /nfs/dbraw/zinc/23/33/28/1212233328.db2.gz JEVNIZPBUCPPDJ-XDNAFOTISA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC000969071686 1212255069 /nfs/dbraw/zinc/25/50/69/1212255069.db2.gz AJDUKLBOKKHDHL-MZMPZRCHSA-N 2 1 365.449 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC000969071686 1212255075 /nfs/dbraw/zinc/25/50/75/1212255075.db2.gz AJDUKLBOKKHDHL-MZMPZRCHSA-N 2 1 365.449 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000948995028 1212272630 /nfs/dbraw/zinc/27/26/30/1212272630.db2.gz ODDXIKDXOFTBIR-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000948995028 1212272634 /nfs/dbraw/zinc/27/26/34/1212272634.db2.gz ODDXIKDXOFTBIR-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000949010836 1212275540 /nfs/dbraw/zinc/27/55/40/1212275540.db2.gz NIDNUXHDXMLKCQ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000949010836 1212275547 /nfs/dbraw/zinc/27/55/47/1212275547.db2.gz NIDNUXHDXMLKCQ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000949010836 1212275549 /nfs/dbraw/zinc/27/55/49/1212275549.db2.gz NIDNUXHDXMLKCQ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000949010836 1212275555 /nfs/dbraw/zinc/27/55/55/1212275555.db2.gz NIDNUXHDXMLKCQ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+]([C@H](C)C(N)=O)CC3)C2)CC[N@H+]1C ZINC000949098800 1212291170 /nfs/dbraw/zinc/29/11/70/1212291170.db2.gz FNDVXKUMBZAIOP-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000949113839 1212297013 /nfs/dbraw/zinc/29/70/13/1212297013.db2.gz YIWQUTHYTGFIBP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000949113839 1212297018 /nfs/dbraw/zinc/29/70/18/1212297018.db2.gz YIWQUTHYTGFIBP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000949113839 1212297020 /nfs/dbraw/zinc/29/70/20/1212297020.db2.gz YIWQUTHYTGFIBP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000949113839 1212297026 /nfs/dbraw/zinc/29/70/26/1212297026.db2.gz YIWQUTHYTGFIBP-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000949206167 1212323855 /nfs/dbraw/zinc/32/38/55/1212323855.db2.gz RCFAXNOBJIXGSP-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP CN1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCc1ncc[nH]1)C2 ZINC001007186714 1212419859 /nfs/dbraw/zinc/41/98/59/1212419859.db2.gz PPWKIXNYOYRKDE-DOXZYTNZSA-N 2 1 359.474 0.934 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001007188106 1212420268 /nfs/dbraw/zinc/42/02/68/1212420268.db2.gz CKZAVWNXVHEGCE-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001007188106 1212420273 /nfs/dbraw/zinc/42/02/73/1212420273.db2.gz CKZAVWNXVHEGCE-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001007188102 1212420696 /nfs/dbraw/zinc/42/06/96/1212420696.db2.gz CKZAVWNXVHEGCE-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001007188102 1212420699 /nfs/dbraw/zinc/42/06/99/1212420699.db2.gz CKZAVWNXVHEGCE-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111297791 1212479423 /nfs/dbraw/zinc/47/94/23/1212479423.db2.gz VLADJRBBXFAAFH-OAGGEKHMSA-N 2 1 364.490 0.589 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949887509 1212480882 /nfs/dbraw/zinc/48/08/82/1212480882.db2.gz XQGFFGDXAPULMX-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298500 1212493439 /nfs/dbraw/zinc/49/34/39/1212493439.db2.gz AERFARSHGUNZRG-TVFCKZIOSA-N 2 1 371.522 0.464 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001007477068 1212499485 /nfs/dbraw/zinc/49/94/85/1212499485.db2.gz KZZOVGXWHNHNJE-FTRWYGJKSA-N 2 1 360.502 0.531 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007481542 1212503125 /nfs/dbraw/zinc/50/31/25/1212503125.db2.gz NNZFVSBHEJHCFD-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001007484199 1212505119 /nfs/dbraw/zinc/50/51/19/1212505119.db2.gz NPGJEWPPQILNSX-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001007484199 1212505122 /nfs/dbraw/zinc/50/51/22/1212505122.db2.gz NPGJEWPPQILNSX-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001007825479 1212585743 /nfs/dbraw/zinc/58/57/43/1212585743.db2.gz FXQJMAAWTFBJDQ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001007825479 1212585748 /nfs/dbraw/zinc/58/57/48/1212585748.db2.gz FXQJMAAWTFBJDQ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221587996 1225383299 /nfs/dbraw/zinc/38/32/99/1225383299.db2.gz PNRPUKRAGZEQDP-BRWVUGGUSA-N 2 1 368.497 0.725 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221587996 1225383304 /nfs/dbraw/zinc/38/33/04/1225383304.db2.gz PNRPUKRAGZEQDP-BRWVUGGUSA-N 2 1 368.497 0.725 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC000950800777 1212679083 /nfs/dbraw/zinc/67/90/83/1212679083.db2.gz YTUZJSZAGQNTDB-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC000950800777 1212679086 /nfs/dbraw/zinc/67/90/86/1212679086.db2.gz YTUZJSZAGQNTDB-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1C ZINC000951249790 1212803570 /nfs/dbraw/zinc/80/35/70/1212803570.db2.gz MJUNQBIHRGESMW-QLFBSQMISA-N 2 1 359.474 0.819 20 0 FCADMP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616934 1225400221 /nfs/dbraw/zinc/40/02/21/1225400221.db2.gz WTAPRBCMIUMFIQ-KZNAEPCWSA-N 2 1 363.506 0.773 20 0 FCADMP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616934 1225400229 /nfs/dbraw/zinc/40/02/29/1225400229.db2.gz WTAPRBCMIUMFIQ-KZNAEPCWSA-N 2 1 363.506 0.773 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221617014 1225400896 /nfs/dbraw/zinc/40/08/96/1225400896.db2.gz ZZPXAXRRGLTIFD-ZACQAIPSSA-N 2 1 365.522 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221617014 1225400898 /nfs/dbraw/zinc/40/08/98/1225400898.db2.gz ZZPXAXRRGLTIFD-ZACQAIPSSA-N 2 1 365.522 0.567 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@H+]1C ZINC001009280292 1212830772 /nfs/dbraw/zinc/83/07/72/1212830772.db2.gz VBEHESPCTNJDIL-HHARLNAUSA-N 2 1 360.502 0.243 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2ccccc2)C1 ZINC001111406147 1212992099 /nfs/dbraw/zinc/99/20/99/1212992099.db2.gz VVKPUGIBGHZSAO-MANSERQUSA-N 2 1 370.497 0.976 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407327 1212993469 /nfs/dbraw/zinc/99/34/69/1212993469.db2.gz QOPQMFIXNQQATH-JJXSEGSLSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407327 1212993470 /nfs/dbraw/zinc/99/34/70/1212993470.db2.gz QOPQMFIXNQQATH-JJXSEGSLSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407327 1212993476 /nfs/dbraw/zinc/99/34/76/1212993476.db2.gz QOPQMFIXNQQATH-JJXSEGSLSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407327 1212993479 /nfs/dbraw/zinc/99/34/79/1212993479.db2.gz QOPQMFIXNQQATH-JJXSEGSLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824109 1225417339 /nfs/dbraw/zinc/41/73/39/1225417339.db2.gz LQRGBHFUVVUJJY-UYAOXDASSA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824109 1225417341 /nfs/dbraw/zinc/41/73/41/1225417341.db2.gz LQRGBHFUVVUJJY-UYAOXDASSA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824109 1225417342 /nfs/dbraw/zinc/41/73/42/1225417342.db2.gz LQRGBHFUVVUJJY-UYAOXDASSA-N 2 1 366.550 0.708 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000953947565 1213026548 /nfs/dbraw/zinc/02/65/48/1213026548.db2.gz CNJKFCKROYMQRH-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000953947565 1213026554 /nfs/dbraw/zinc/02/65/54/1213026554.db2.gz CNJKFCKROYMQRH-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000953947565 1213026558 /nfs/dbraw/zinc/02/65/58/1213026558.db2.gz CNJKFCKROYMQRH-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000953947565 1213026561 /nfs/dbraw/zinc/02/65/61/1213026561.db2.gz CNJKFCKROYMQRH-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000954047437 1213034999 /nfs/dbraw/zinc/03/49/99/1213034999.db2.gz BTZLEYRSLMOGKA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000954047437 1213035001 /nfs/dbraw/zinc/03/50/01/1213035001.db2.gz BTZLEYRSLMOGKA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000954047437 1213035005 /nfs/dbraw/zinc/03/50/05/1213035005.db2.gz BTZLEYRSLMOGKA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000954047437 1213035009 /nfs/dbraw/zinc/03/50/09/1213035009.db2.gz BTZLEYRSLMOGKA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221654499 1225419552 /nfs/dbraw/zinc/41/95/52/1225419552.db2.gz MITQQOPJQVPQHL-HUUCEWRRSA-N 2 1 364.490 0.398 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221654499 1225419556 /nfs/dbraw/zinc/41/95/56/1225419556.db2.gz MITQQOPJQVPQHL-HUUCEWRRSA-N 2 1 364.490 0.398 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221654499 1225419558 /nfs/dbraw/zinc/41/95/58/1225419558.db2.gz MITQQOPJQVPQHL-HUUCEWRRSA-N 2 1 364.490 0.398 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221654499 1225419563 /nfs/dbraw/zinc/41/95/63/1225419563.db2.gz MITQQOPJQVPQHL-HUUCEWRRSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000954416491 1213072980 /nfs/dbraw/zinc/07/29/80/1213072980.db2.gz MUZFUMBCONNCPU-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000954416491 1213072984 /nfs/dbraw/zinc/07/29/84/1213072984.db2.gz MUZFUMBCONNCPU-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954416491 1213072988 /nfs/dbraw/zinc/07/29/88/1213072988.db2.gz MUZFUMBCONNCPU-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000954416491 1213072992 /nfs/dbraw/zinc/07/29/92/1213072992.db2.gz MUZFUMBCONNCPU-XLNGHYISSA-N 2 1 366.506 0.105 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662390 1225424416 /nfs/dbraw/zinc/42/44/16/1225424416.db2.gz KRPUSGCWQRJYBX-BFYDXBDKSA-N 2 1 359.474 0.575 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662390 1225424417 /nfs/dbraw/zinc/42/44/17/1225424417.db2.gz KRPUSGCWQRJYBX-BFYDXBDKSA-N 2 1 359.474 0.575 20 0 FCADMP CC(C)N1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000955077437 1213132258 /nfs/dbraw/zinc/13/22/58/1213132258.db2.gz CQDWTXSEMOKBPT-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000955077437 1213132259 /nfs/dbraw/zinc/13/22/59/1213132259.db2.gz CQDWTXSEMOKBPT-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000955077437 1213132262 /nfs/dbraw/zinc/13/22/62/1213132262.db2.gz CQDWTXSEMOKBPT-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000955077437 1213132263 /nfs/dbraw/zinc/13/22/63/1213132263.db2.gz CQDWTXSEMOKBPT-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000955077437 1213132266 /nfs/dbraw/zinc/13/22/66/1213132266.db2.gz CQDWTXSEMOKBPT-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@H](C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000956414655 1213193956 /nfs/dbraw/zinc/19/39/56/1213193956.db2.gz XYVGOQMDQTXQLC-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@H](C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000956414655 1213193958 /nfs/dbraw/zinc/19/39/58/1213193958.db2.gz XYVGOQMDQTXQLC-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(C)C ZINC001691743941 1213359024 /nfs/dbraw/zinc/35/90/24/1213359024.db2.gz UPOUDGFMXDKLSO-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693122 1225445670 /nfs/dbraw/zinc/44/56/70/1225445670.db2.gz CCEMPMNSGSZUCR-IIDMSEBBSA-N 2 1 362.474 0.302 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693122 1225445674 /nfs/dbraw/zinc/44/56/74/1225445674.db2.gz CCEMPMNSGSZUCR-IIDMSEBBSA-N 2 1 362.474 0.302 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4c(C)nnn4CC)C[C@H]32)CC[N@@H+]1C ZINC000959962853 1213563250 /nfs/dbraw/zinc/56/32/50/1213563250.db2.gz BDELOMSIRIQFIV-ZNFSNMQZSA-N 2 1 360.506 0.883 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4c(C)nnn4CC)C[C@H]32)CC[N@H+]1C ZINC000959962853 1213563252 /nfs/dbraw/zinc/56/32/52/1213563252.db2.gz BDELOMSIRIQFIV-ZNFSNMQZSA-N 2 1 360.506 0.883 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4c(C)nnn4CC)C[C@H]32)CC[NH+]1C ZINC000959962853 1213563256 /nfs/dbraw/zinc/56/32/56/1213563256.db2.gz BDELOMSIRIQFIV-ZNFSNMQZSA-N 2 1 360.506 0.883 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4c(C)nnn4CC)C[C@H]32)CC[NH+]1C ZINC000959962853 1213563259 /nfs/dbraw/zinc/56/32/59/1213563259.db2.gz BDELOMSIRIQFIV-ZNFSNMQZSA-N 2 1 360.506 0.883 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001221772294 1225475864 /nfs/dbraw/zinc/47/58/64/1225475864.db2.gz SMKZISMCCVDRFD-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773038 1225477694 /nfs/dbraw/zinc/47/76/94/1225477694.db2.gz VZTZOSPFGPYHSK-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773038 1225477698 /nfs/dbraw/zinc/47/76/98/1225477698.db2.gz VZTZOSPFGPYHSK-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001221770177 1225474408 /nfs/dbraw/zinc/47/44/08/1225474408.db2.gz BLNPYWNTTIRJNJ-SOLBZPMBSA-N 2 1 362.474 0.296 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001221770177 1225474411 /nfs/dbraw/zinc/47/44/11/1225474411.db2.gz BLNPYWNTTIRJNJ-SOLBZPMBSA-N 2 1 362.474 0.296 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789250 1225481114 /nfs/dbraw/zinc/48/11/14/1225481114.db2.gz MFAYBXILAASMOX-RBSFLKMASA-N 2 1 367.494 0.094 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789250 1225481118 /nfs/dbraw/zinc/48/11/18/1225481118.db2.gz MFAYBXILAASMOX-RBSFLKMASA-N 2 1 367.494 0.094 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790202 1225481410 /nfs/dbraw/zinc/48/14/10/1225481410.db2.gz IWOMKSTZSIWZMU-QZTJIDSGSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790202 1225481415 /nfs/dbraw/zinc/48/14/15/1225481415.db2.gz IWOMKSTZSIWZMU-QZTJIDSGSA-N 2 1 362.518 0.729 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789269 1225481696 /nfs/dbraw/zinc/48/16/96/1225481696.db2.gz NBCPTLZOYDQWSD-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789269 1225481699 /nfs/dbraw/zinc/48/16/99/1225481699.db2.gz NBCPTLZOYDQWSD-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC001221791324 1225482714 /nfs/dbraw/zinc/48/27/14/1225482714.db2.gz GDQITUAFZGMSPR-JFIYKMOQSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011134365 1213834365 /nfs/dbraw/zinc/83/43/65/1213834365.db2.gz LKJKUOUZWRYFPS-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011134365 1213834367 /nfs/dbraw/zinc/83/43/67/1213834367.db2.gz LKJKUOUZWRYFPS-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011134365 1213834371 /nfs/dbraw/zinc/83/43/71/1213834371.db2.gz LKJKUOUZWRYFPS-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011134365 1213834374 /nfs/dbraw/zinc/83/43/74/1213834374.db2.gz LKJKUOUZWRYFPS-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418864457 1213867311 /nfs/dbraw/zinc/86/73/11/1213867311.db2.gz QTQXYBVHPXJLKJ-XLIONFOSSA-N 2 1 356.470 0.732 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001221815137 1225489441 /nfs/dbraw/zinc/48/94/41/1225489441.db2.gz WIQHCJLRFKLQKP-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001221815137 1225489446 /nfs/dbraw/zinc/48/94/46/1225489446.db2.gz WIQHCJLRFKLQKP-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001221815137 1225489448 /nfs/dbraw/zinc/48/94/48/1225489448.db2.gz WIQHCJLRFKLQKP-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001221815137 1225489452 /nfs/dbraw/zinc/48/94/52/1225489452.db2.gz WIQHCJLRFKLQKP-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2cncn2C)CC3)O1 ZINC001016684521 1214035105 /nfs/dbraw/zinc/03/51/05/1214035105.db2.gz DBFMKWFCYNIWEO-DJIMGWMZSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2cncn2C)CC3)O1 ZINC001016684521 1214035110 /nfs/dbraw/zinc/03/51/10/1214035110.db2.gz DBFMKWFCYNIWEO-DJIMGWMZSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](CCn2cccn2)CC3)O1 ZINC001016687021 1214035327 /nfs/dbraw/zinc/03/53/27/1214035327.db2.gz BXGCUVNKHDDYFR-ZACQAIPSSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](CCn2cccn2)CC3)O1 ZINC001016687021 1214035333 /nfs/dbraw/zinc/03/53/33/1214035333.db2.gz BXGCUVNKHDDYFR-ZACQAIPSSA-N 2 1 361.490 0.573 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1 ZINC001019149020 1214205847 /nfs/dbraw/zinc/20/58/47/1214205847.db2.gz JSDLFIRKRGLXCS-RRFJBIMHSA-N 2 1 357.458 0.526 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)CC[N@H+]1C ZINC001019598678 1214272115 /nfs/dbraw/zinc/27/21/15/1214272115.db2.gz CKDKPWOIJVBNTC-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)CC[N@H+]1C ZINC001019598679 1214272679 /nfs/dbraw/zinc/27/26/79/1214272679.db2.gz CKDKPWOIJVBNTC-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376185 1214323749 /nfs/dbraw/zinc/32/37/49/1214323749.db2.gz ZVEOLEILLIVFAL-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376185 1214323754 /nfs/dbraw/zinc/32/37/54/1214323754.db2.gz ZVEOLEILLIVFAL-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)O1 ZINC001020286941 1214328096 /nfs/dbraw/zinc/32/80/96/1214328096.db2.gz QRYJQLLJHSGQJW-WYGQYTNYSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)O1 ZINC001020286941 1214328106 /nfs/dbraw/zinc/32/81/06/1214328106.db2.gz QRYJQLLJHSGQJW-WYGQYTNYSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC001020287700 1214328798 /nfs/dbraw/zinc/32/87/98/1214328798.db2.gz HHQHGXZLYXGUPA-MWQQHZPXSA-N 2 1 361.490 0.604 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnc(N(C)C)c3)C2)O1 ZINC001020287700 1214328803 /nfs/dbraw/zinc/32/88/03/1214328803.db2.gz HHQHGXZLYXGUPA-MWQQHZPXSA-N 2 1 361.490 0.604 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2cnnn2C)C3)CC[N@@H+]1C ZINC001040211020 1214484752 /nfs/dbraw/zinc/48/47/52/1214484752.db2.gz SRVYOWMFLGZFMA-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2cnnn2C)C3)CC[N@H+]1C ZINC001040211020 1214484759 /nfs/dbraw/zinc/48/47/59/1214484759.db2.gz SRVYOWMFLGZFMA-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cnnn2C)C3)CC[NH+]1C ZINC001040211020 1214484762 /nfs/dbraw/zinc/48/47/62/1214484762.db2.gz SRVYOWMFLGZFMA-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cnnn2C)C3)CC[NH+]1C ZINC001040211020 1214484769 /nfs/dbraw/zinc/48/47/69/1214484769.db2.gz SRVYOWMFLGZFMA-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221920629 1225535794 /nfs/dbraw/zinc/53/57/94/1225535794.db2.gz OOLUZSNGFALHEI-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221920629 1225535797 /nfs/dbraw/zinc/53/57/97/1225535797.db2.gz OOLUZSNGFALHEI-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221920629 1225535799 /nfs/dbraw/zinc/53/57/99/1225535799.db2.gz OOLUZSNGFALHEI-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221920629 1225535801 /nfs/dbraw/zinc/53/58/01/1225535801.db2.gz OOLUZSNGFALHEI-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963043426 1214721088 /nfs/dbraw/zinc/72/10/88/1214721088.db2.gz WJISEACDBCSUTK-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ncnn3C)CC2)O1 ZINC000963551737 1214820763 /nfs/dbraw/zinc/82/07/63/1214820763.db2.gz QBYSOIGANJDISQ-PRLABOORSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ncnn3C)CC2)O1 ZINC000963551737 1214820766 /nfs/dbraw/zinc/82/07/66/1214820766.db2.gz QBYSOIGANJDISQ-PRLABOORSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2ccnn2C)C3)O1 ZINC000964030715 1214890661 /nfs/dbraw/zinc/89/06/61/1214890661.db2.gz WAXQWGAFUSOWBQ-MINFOYKESA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2ccnn2C)C3)O1 ZINC000964030715 1214890664 /nfs/dbraw/zinc/89/06/64/1214890664.db2.gz WAXQWGAFUSOWBQ-MINFOYKESA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964983256 1215012316 /nfs/dbraw/zinc/01/23/16/1215012316.db2.gz BRVIXNFQVDZBBF-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964983256 1215012320 /nfs/dbraw/zinc/01/23/20/1215012320.db2.gz BRVIXNFQVDZBBF-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000965977505 1215154713 /nfs/dbraw/zinc/15/47/13/1215154713.db2.gz CWSRECHDYCOJGU-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968011037 1215272677 /nfs/dbraw/zinc/27/26/77/1215272677.db2.gz WHTUKHGXHVQVAN-OLMNPRSZSA-N 2 1 362.518 0.728 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000968088713 1215282803 /nfs/dbraw/zinc/28/28/03/1215282803.db2.gz HFMSYIBUKRWJAL-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000968088713 1215282804 /nfs/dbraw/zinc/28/28/04/1215282804.db2.gz HFMSYIBUKRWJAL-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001222406502 1225622585 /nfs/dbraw/zinc/62/25/85/1225622585.db2.gz VSDQYPLLDJOBGW-INIZCTEOSA-N 2 1 366.506 0.651 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001222406502 1225622588 /nfs/dbraw/zinc/62/25/88/1225622588.db2.gz VSDQYPLLDJOBGW-INIZCTEOSA-N 2 1 366.506 0.651 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442832 1225624948 /nfs/dbraw/zinc/62/49/48/1225624948.db2.gz NXCAISFOWMRSFB-KURKYZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442832 1225624952 /nfs/dbraw/zinc/62/49/52/1225624952.db2.gz NXCAISFOWMRSFB-KURKYZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442832 1225624954 /nfs/dbraw/zinc/62/49/54/1225624954.db2.gz NXCAISFOWMRSFB-KURKYZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967944 1215930387 /nfs/dbraw/zinc/93/03/87/1215930387.db2.gz WHDVKSNVUAISGL-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693895 1225646109 /nfs/dbraw/zinc/64/61/09/1225646109.db2.gz HACNXQGESJZCCV-QRVBRYPASA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001001417331 1216191974 /nfs/dbraw/zinc/19/19/74/1216191974.db2.gz AGNDWGPNEKPFTN-GDBMZVCRSA-N 2 1 364.490 0.304 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O)OC ZINC001276843697 1225662448 /nfs/dbraw/zinc/66/24/48/1225662448.db2.gz SIIJETRUCRXWKF-SFHVURJKSA-N 2 1 364.446 0.987 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCCN(Cc3[nH]c(C)nc3C)C2)C1=O)OC ZINC001276843697 1225662453 /nfs/dbraw/zinc/66/24/53/1225662453.db2.gz SIIJETRUCRXWKF-SFHVURJKSA-N 2 1 364.446 0.987 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001050328166 1216307605 /nfs/dbraw/zinc/30/76/05/1216307605.db2.gz HNUDNMUOHJIFMV-KBUPBQIOSA-N 2 1 364.494 0.213 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891586 1225663110 /nfs/dbraw/zinc/66/31/10/1225663110.db2.gz FLOSUHVOVNZGEK-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001050523685 1216330944 /nfs/dbraw/zinc/33/09/44/1216330944.db2.gz GKTRPYJHRMXADX-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959268 1225670173 /nfs/dbraw/zinc/67/01/73/1225670173.db2.gz SXXNXJJGRMYJCI-WCXIOVBPSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[NH+]([C@@H]2CCNC2=O)C3)CC[N@@H+]1C ZINC001051289061 1216424741 /nfs/dbraw/zinc/42/47/41/1216424741.db2.gz CKNBQEZKHMVGKS-LSBZLQRGSA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[NH+]([C@@H]2CCNC2=O)C3)CC[N@H+]1C ZINC001051289061 1216424744 /nfs/dbraw/zinc/42/47/44/1216424744.db2.gz CKNBQEZKHMVGKS-LSBZLQRGSA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[N@@H+]([C@@H]2CCNC2=O)C3)CC[NH+]1C ZINC001051289061 1216424750 /nfs/dbraw/zinc/42/47/50/1216424750.db2.gz CKNBQEZKHMVGKS-LSBZLQRGSA-N 2 1 370.497 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc3c2CC[N@H+]([C@@H]2CCNC2=O)C3)CC[NH+]1C ZINC001051289061 1216424756 /nfs/dbraw/zinc/42/47/56/1216424756.db2.gz CKNBQEZKHMVGKS-LSBZLQRGSA-N 2 1 370.497 0.890 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625289 1216469832 /nfs/dbraw/zinc/46/98/32/1216469832.db2.gz YNLAZUNJYJFNDP-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679760 1216473868 /nfs/dbraw/zinc/47/38/68/1216473868.db2.gz IHJRHLJGTIGNAX-SRCQZFHVSA-N 2 1 366.462 0.328 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679760 1216473875 /nfs/dbraw/zinc/47/38/75/1216473875.db2.gz IHJRHLJGTIGNAX-SRCQZFHVSA-N 2 1 366.462 0.328 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738641 1216529500 /nfs/dbraw/zinc/52/95/00/1216529500.db2.gz DPYQHTHSXVSXAJ-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738641 1216529505 /nfs/dbraw/zinc/52/95/05/1216529505.db2.gz DPYQHTHSXVSXAJ-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738641 1216529509 /nfs/dbraw/zinc/52/95/09/1216529509.db2.gz DPYQHTHSXVSXAJ-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001052490116 1216561325 /nfs/dbraw/zinc/56/13/25/1216561325.db2.gz SWSIJRVOLLHLGZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001052490116 1216561330 /nfs/dbraw/zinc/56/13/30/1216561330.db2.gz SWSIJRVOLLHLGZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCCC3=O)CC2)O1 ZINC001052490116 1216561335 /nfs/dbraw/zinc/56/13/35/1216561335.db2.gz SWSIJRVOLLHLGZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)CC2)O1 ZINC001052490116 1216561341 /nfs/dbraw/zinc/56/13/41/1216561341.db2.gz SWSIJRVOLLHLGZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487851 1216561885 /nfs/dbraw/zinc/56/18/85/1216561885.db2.gz DOFZHBMZMMLYBK-JFIYKMOQSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487851 1216561887 /nfs/dbraw/zinc/56/18/87/1216561887.db2.gz DOFZHBMZMMLYBK-JFIYKMOQSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487851 1216561896 /nfs/dbraw/zinc/56/18/96/1216561896.db2.gz DOFZHBMZMMLYBK-JFIYKMOQSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001052487851 1216561901 /nfs/dbraw/zinc/56/19/01/1216561901.db2.gz DOFZHBMZMMLYBK-JFIYKMOQSA-N 2 1 361.490 0.975 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057865272 1216597305 /nfs/dbraw/zinc/59/73/05/1216597305.db2.gz XONWMAQQZYYLGL-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057865272 1216597312 /nfs/dbraw/zinc/59/73/12/1216597312.db2.gz XONWMAQQZYYLGL-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057865272 1216597319 /nfs/dbraw/zinc/59/73/19/1216597319.db2.gz XONWMAQQZYYLGL-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000827539975 1216627846 /nfs/dbraw/zinc/62/78/46/1216627846.db2.gz VTQPPYRHDHUACM-OAHLLOKOSA-N 2 1 356.430 0.450 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827706338 1216642756 /nfs/dbraw/zinc/64/27/56/1216642756.db2.gz LMIUJXFLOJLZKT-ULQDDVLXSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000682035319 1216656413 /nfs/dbraw/zinc/65/64/13/1216656413.db2.gz LNLCHFVOWHRQKE-SFHVURJKSA-N 2 1 362.518 0.794 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)O1 ZINC001067712462 1216696256 /nfs/dbraw/zinc/69/62/56/1216696256.db2.gz QZGDYTCOJXSEKM-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)O1 ZINC001067712462 1216696261 /nfs/dbraw/zinc/69/62/61/1216696261.db2.gz QZGDYTCOJXSEKM-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)O1 ZINC001067712462 1216696266 /nfs/dbraw/zinc/69/62/66/1216696266.db2.gz QZGDYTCOJXSEKM-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)O1 ZINC001067712462 1216696268 /nfs/dbraw/zinc/69/62/68/1216696268.db2.gz QZGDYTCOJXSEKM-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001067712798 1216696523 /nfs/dbraw/zinc/69/65/23/1216696523.db2.gz NGMRIMNMTSPVET-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001067712798 1216696525 /nfs/dbraw/zinc/69/65/25/1216696525.db2.gz NGMRIMNMTSPVET-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001067712798 1216696526 /nfs/dbraw/zinc/69/65/26/1216696526.db2.gz NGMRIMNMTSPVET-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001067712798 1216696527 /nfs/dbraw/zinc/69/65/27/1216696527.db2.gz NGMRIMNMTSPVET-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966023 1216873157 /nfs/dbraw/zinc/87/31/57/1216873157.db2.gz RYBWHNJHXBBISE-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966023 1216873159 /nfs/dbraw/zinc/87/31/59/1216873159.db2.gz RYBWHNJHXBBISE-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966023 1216873162 /nfs/dbraw/zinc/87/31/62/1216873162.db2.gz RYBWHNJHXBBISE-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966023 1216873163 /nfs/dbraw/zinc/87/31/63/1216873163.db2.gz RYBWHNJHXBBISE-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006080 1216893060 /nfs/dbraw/zinc/89/30/60/1216893060.db2.gz CICHGXSZVSDSSX-IXDOHACOSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006080 1216893062 /nfs/dbraw/zinc/89/30/62/1216893062.db2.gz CICHGXSZVSDSSX-IXDOHACOSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006080 1216893064 /nfs/dbraw/zinc/89/30/64/1216893064.db2.gz CICHGXSZVSDSSX-IXDOHACOSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006080 1216893067 /nfs/dbraw/zinc/89/30/67/1216893067.db2.gz CICHGXSZVSDSSX-IXDOHACOSA-N 2 1 362.478 0.139 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009082 1216895331 /nfs/dbraw/zinc/89/53/31/1216895331.db2.gz IOYSEUUTNKUDNX-UAGQMJEPSA-N 2 1 357.462 0.797 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009082 1216895333 /nfs/dbraw/zinc/89/53/33/1216895333.db2.gz IOYSEUUTNKUDNX-UAGQMJEPSA-N 2 1 357.462 0.797 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009081 1216895463 /nfs/dbraw/zinc/89/54/63/1216895463.db2.gz IOYSEUUTNKUDNX-OIISXLGYSA-N 2 1 357.462 0.797 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009081 1216895464 /nfs/dbraw/zinc/89/54/64/1216895464.db2.gz IOYSEUUTNKUDNX-OIISXLGYSA-N 2 1 357.462 0.797 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001070025997 1216904887 /nfs/dbraw/zinc/90/48/87/1216904887.db2.gz WGHCVSAKJSGCOS-OIISXLGYSA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001070025997 1216904892 /nfs/dbraw/zinc/90/48/92/1216904892.db2.gz WGHCVSAKJSGCOS-OIISXLGYSA-N 2 1 357.462 0.796 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387291 1225702437 /nfs/dbraw/zinc/70/24/37/1225702437.db2.gz DIVTVCDQSKCQCO-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H](C)C(C)=O)CC2 ZINC001276899436 1225714703 /nfs/dbraw/zinc/71/47/03/1225714703.db2.gz HRBWBYDIIWIXDH-ZBFHGGJFSA-N 2 1 367.490 0.629 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223683682 1225726328 /nfs/dbraw/zinc/72/63/28/1225726328.db2.gz HPRQVCPATSYIAL-KURKYZTESA-N 2 1 364.490 0.902 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223683682 1225726332 /nfs/dbraw/zinc/72/63/32/1225726332.db2.gz HPRQVCPATSYIAL-KURKYZTESA-N 2 1 364.490 0.902 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223840066 1225739331 /nfs/dbraw/zinc/73/93/31/1225739331.db2.gz XLPWKJLZOIJESV-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223840066 1225739334 /nfs/dbraw/zinc/73/93/34/1225739334.db2.gz XLPWKJLZOIJESV-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223840066 1225739336 /nfs/dbraw/zinc/73/93/36/1225739336.db2.gz XLPWKJLZOIJESV-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912614 1225745107 /nfs/dbraw/zinc/74/51/07/1225745107.db2.gz WKPBCJOCJYVGGW-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912614 1225745108 /nfs/dbraw/zinc/74/51/08/1225745108.db2.gz WKPBCJOCJYVGGW-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223912621 1225745231 /nfs/dbraw/zinc/74/52/31/1225745231.db2.gz WTOQCUZBHGSVOL-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001042898090 1217503675 /nfs/dbraw/zinc/50/36/75/1217503675.db2.gz QGIZDDSAQPDFCQ-BRWVUGGUSA-N 2 1 359.474 0.755 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NCC)[C@H]2C1 ZINC001223977728 1225750580 /nfs/dbraw/zinc/75/05/80/1225750580.db2.gz JQEXGMLOKZBKRO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NCC)[C@H]2C1 ZINC001223977728 1225750582 /nfs/dbraw/zinc/75/05/82/1225750582.db2.gz JQEXGMLOKZBKRO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NCC)[C@H]2C1 ZINC001223977728 1225750586 /nfs/dbraw/zinc/75/05/86/1225750586.db2.gz JQEXGMLOKZBKRO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC)[C@H]2C1 ZINC001223977728 1225750589 /nfs/dbraw/zinc/75/05/89/1225750589.db2.gz JQEXGMLOKZBKRO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)NCC1CCC1 ZINC001224130648 1225759638 /nfs/dbraw/zinc/75/96/38/1225759638.db2.gz SZZVGCUPVBVRAQ-MSOLQXFVSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)NCC1CCC1 ZINC001224130648 1225759643 /nfs/dbraw/zinc/75/96/43/1225759643.db2.gz SZZVGCUPVBVRAQ-MSOLQXFVSA-N 2 1 362.518 0.921 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130547 1225760284 /nfs/dbraw/zinc/76/02/84/1225760284.db2.gz PTHRBIFIXGHVGI-KURKYZTESA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130547 1225760287 /nfs/dbraw/zinc/76/02/87/1225760287.db2.gz PTHRBIFIXGHVGI-KURKYZTESA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130547 1225760291 /nfs/dbraw/zinc/76/02/91/1225760291.db2.gz PTHRBIFIXGHVGI-KURKYZTESA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001095964915 1217789338 /nfs/dbraw/zinc/78/93/38/1217789338.db2.gz IDBNRZYGOCRXBR-BGTYHANMSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961146 1225771282 /nfs/dbraw/zinc/77/12/82/1225771282.db2.gz ZJZFRSLROQJCEQ-ICSRJNTNSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961146 1225771285 /nfs/dbraw/zinc/77/12/85/1225771285.db2.gz ZJZFRSLROQJCEQ-ICSRJNTNSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961146 1225771287 /nfs/dbraw/zinc/77/12/87/1225771287.db2.gz ZJZFRSLROQJCEQ-ICSRJNTNSA-N 2 1 366.550 0.709 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@@H+]1C ZINC001045044738 1217895560 /nfs/dbraw/zinc/89/55/60/1217895560.db2.gz URZHQVYYAWYRLF-HRCADAONSA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@H+]1C ZINC001045044738 1217895562 /nfs/dbraw/zinc/89/55/62/1217895562.db2.gz URZHQVYYAWYRLF-HRCADAONSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001045043216 1217895676 /nfs/dbraw/zinc/89/56/76/1217895676.db2.gz CYFHKMYHEQHKNX-QLFBSQMISA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001045043216 1217895679 /nfs/dbraw/zinc/89/56/79/1217895679.db2.gz CYFHKMYHEQHKNX-QLFBSQMISA-N 2 1 362.478 0.229 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C3)n1 ZINC001096015919 1217912953 /nfs/dbraw/zinc/91/29/53/1217912953.db2.gz UHEKSGYBHXFJLL-ZSGPHXLJSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C3)n1 ZINC001096015919 1217912958 /nfs/dbraw/zinc/91/29/58/1217912958.db2.gz UHEKSGYBHXFJLL-ZSGPHXLJSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C3)n1 ZINC001096015919 1217912960 /nfs/dbraw/zinc/91/29/60/1217912960.db2.gz UHEKSGYBHXFJLL-ZSGPHXLJSA-N 2 1 360.506 0.958 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096017382 1217917785 /nfs/dbraw/zinc/91/77/85/1217917785.db2.gz OACURATVZLUXQE-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096017382 1217917792 /nfs/dbraw/zinc/91/77/92/1217917792.db2.gz OACURATVZLUXQE-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096017382 1217917798 /nfs/dbraw/zinc/91/77/98/1217917798.db2.gz OACURATVZLUXQE-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096017382 1217917806 /nfs/dbraw/zinc/91/78/06/1217917806.db2.gz OACURATVZLUXQE-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001045439975 1217929327 /nfs/dbraw/zinc/92/93/27/1217929327.db2.gz FCYFUBWFCCFEQQ-RRFJBIMHSA-N 2 1 364.490 0.493 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417317 1218034620 /nfs/dbraw/zinc/03/46/20/1218034620.db2.gz LMRXKXWYENDSGZ-XFQXTVEOSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417317 1218034624 /nfs/dbraw/zinc/03/46/24/1218034624.db2.gz LMRXKXWYENDSGZ-XFQXTVEOSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417317 1218034626 /nfs/dbraw/zinc/03/46/26/1218034626.db2.gz LMRXKXWYENDSGZ-XFQXTVEOSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001046417317 1218034628 /nfs/dbraw/zinc/03/46/28/1218034628.db2.gz LMRXKXWYENDSGZ-XFQXTVEOSA-N 2 1 361.486 0.979 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046417498 1218034797 /nfs/dbraw/zinc/03/47/97/1218034797.db2.gz MUWITLYICQXLEJ-DDUZABMNSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046417498 1218034802 /nfs/dbraw/zinc/03/48/02/1218034802.db2.gz MUWITLYICQXLEJ-DDUZABMNSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046417498 1218034805 /nfs/dbraw/zinc/03/48/05/1218034805.db2.gz MUWITLYICQXLEJ-DDUZABMNSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046417498 1218034810 /nfs/dbraw/zinc/03/48/10/1218034810.db2.gz MUWITLYICQXLEJ-DDUZABMNSA-N 2 1 365.478 0.610 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900808769 1218040069 /nfs/dbraw/zinc/04/00/69/1218040069.db2.gz WUZKFIJANJWLGX-ZWKOTPCHSA-N 2 1 374.533 0.344 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000900964969 1218064020 /nfs/dbraw/zinc/06/40/20/1218064020.db2.gz JHPBLDUOHADQIK-DLBZAZTESA-N 2 1 367.490 0.442 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000900964969 1218064023 /nfs/dbraw/zinc/06/40/23/1218064023.db2.gz JHPBLDUOHADQIK-DLBZAZTESA-N 2 1 367.490 0.442 20 0 FCADMP Cc1nccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001096259198 1218202397 /nfs/dbraw/zinc/20/23/97/1218202397.db2.gz RDZAPEZKVHLTHR-NVXWUHKLSA-N 2 1 360.506 0.754 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309937 1218237647 /nfs/dbraw/zinc/23/76/47/1218237647.db2.gz ZXRHCVYYXXFYRA-ZSGPHXLJSA-N 2 1 362.518 0.964 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309937 1218237655 /nfs/dbraw/zinc/23/76/55/1218237655.db2.gz ZXRHCVYYXXFYRA-ZSGPHXLJSA-N 2 1 362.518 0.964 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cnn4ccccc34)C2)OCC1=O ZINC001277028269 1225805432 /nfs/dbraw/zinc/80/54/32/1225805432.db2.gz JXACILCINHRMBP-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP C[C@@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1N(C)C)C2 ZINC001096364115 1218268967 /nfs/dbraw/zinc/26/89/67/1218268967.db2.gz KOUAGCMRNRJEAE-YXPYIKCWSA-N 2 1 359.474 0.959 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828659 1218322291 /nfs/dbraw/zinc/32/22/91/1218322291.db2.gz AZQDMHRRKSLTEN-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828659 1218322299 /nfs/dbraw/zinc/32/22/99/1218322299.db2.gz AZQDMHRRKSLTEN-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828659 1218322305 /nfs/dbraw/zinc/32/23/05/1218322305.db2.gz AZQDMHRRKSLTEN-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048827792 1218323268 /nfs/dbraw/zinc/32/32/68/1218323268.db2.gz GUGFDPZGQSKTKF-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@H]3C2)CC[NH+]1C ZINC001048827792 1218323273 /nfs/dbraw/zinc/32/32/73/1218323273.db2.gz GUGFDPZGQSKTKF-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@H]3C2)CC[NH+]1C ZINC001048827792 1218323275 /nfs/dbraw/zinc/32/32/75/1218323275.db2.gz GUGFDPZGQSKTKF-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048830761 1218325023 /nfs/dbraw/zinc/32/50/23/1218325023.db2.gz SVKQYWWCHLKXNZ-VVLHAWIVSA-N 2 1 363.506 0.132 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048830761 1218325027 /nfs/dbraw/zinc/32/50/27/1218325027.db2.gz SVKQYWWCHLKXNZ-VVLHAWIVSA-N 2 1 363.506 0.132 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048830761 1218325032 /nfs/dbraw/zinc/32/50/32/1218325032.db2.gz SVKQYWWCHLKXNZ-VVLHAWIVSA-N 2 1 363.506 0.132 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001225525654 1225815252 /nfs/dbraw/zinc/81/52/52/1225815252.db2.gz SIRCKRPGSUWZTR-OAGGEKHMSA-N 2 1 365.478 0.658 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001225525654 1225815254 /nfs/dbraw/zinc/81/52/54/1225815254.db2.gz SIRCKRPGSUWZTR-OAGGEKHMSA-N 2 1 365.478 0.658 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225526141 1225815259 /nfs/dbraw/zinc/81/52/59/1225815259.db2.gz XXCSMCUEPZHCNH-ZACQAIPSSA-N 2 1 368.522 0.639 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225526141 1225815261 /nfs/dbraw/zinc/81/52/61/1225815261.db2.gz XXCSMCUEPZHCNH-ZACQAIPSSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541324 1218428496 /nfs/dbraw/zinc/42/84/96/1218428496.db2.gz NCJNIGWCZKTFCE-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP Cn1nncc1C[N@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001277072032 1225823285 /nfs/dbraw/zinc/82/32/85/1225823285.db2.gz IVWBRBUNXMXGFG-SFHVURJKSA-N 2 1 357.462 0.916 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547462 1218485579 /nfs/dbraw/zinc/48/55/79/1218485579.db2.gz FHHHPOZXMTUIJL-QBPKDAKJSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547462 1218485593 /nfs/dbraw/zinc/48/55/93/1218485593.db2.gz FHHHPOZXMTUIJL-QBPKDAKJSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCn2cncn2)O1 ZINC001049547462 1218485605 /nfs/dbraw/zinc/48/56/05/1218485605.db2.gz FHHHPOZXMTUIJL-QBPKDAKJSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCn2cncn2)O1 ZINC001049547462 1218485614 /nfs/dbraw/zinc/48/56/14/1218485614.db2.gz FHHHPOZXMTUIJL-QBPKDAKJSA-N 2 1 362.478 0.063 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739985 1218512726 /nfs/dbraw/zinc/51/27/26/1218512726.db2.gz RCCJKFWFOKMCQX-ICSRJNTNSA-N 3 1 364.534 0.631 20 0 FCADMP COCc1noc(CN2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903756670 1218517142 /nfs/dbraw/zinc/51/71/42/1218517142.db2.gz VJZYCPGYQWZPTE-OAHLLOKOSA-N 2 1 365.478 0.492 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903782924 1218525111 /nfs/dbraw/zinc/52/51/11/1218525111.db2.gz UICVIJXZMYCWJZ-QGZVFWFLSA-N 3 1 364.534 0.951 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)c1 ZINC001096604905 1218574384 /nfs/dbraw/zinc/57/43/84/1218574384.db2.gz UFSFTERGDDHMSV-VSZNYVQBSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)c1 ZINC001096604905 1218574386 /nfs/dbraw/zinc/57/43/86/1218574386.db2.gz UFSFTERGDDHMSV-VSZNYVQBSA-N 2 1 356.470 0.972 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)N1CCCC1 ZINC001097079035 1218681798 /nfs/dbraw/zinc/68/17/98/1218681798.db2.gz FXYMKHBCXBONEJ-TVFCKZIOSA-N 2 1 360.502 0.672 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)N1CCCC1 ZINC001097079035 1218681805 /nfs/dbraw/zinc/68/18/05/1218681805.db2.gz FXYMKHBCXBONEJ-TVFCKZIOSA-N 2 1 360.502 0.672 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095350 1218687756 /nfs/dbraw/zinc/68/77/56/1218687756.db2.gz JVPYOQPWCXDDAI-MIGQKNRLSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095350 1218687760 /nfs/dbraw/zinc/68/77/60/1218687760.db2.gz JVPYOQPWCXDDAI-MIGQKNRLSA-N 2 1 362.478 0.044 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001097779147 1218845059 /nfs/dbraw/zinc/84/50/59/1218845059.db2.gz IDBNRZYGOCRXBR-DDBAPUKQSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCc4cnn(C)c4)C3)C2)CC[N@H+]1C ZINC001053807029 1218892129 /nfs/dbraw/zinc/89/21/29/1218892129.db2.gz YOERMPQKISZSML-DJIMGWMZSA-N 2 1 361.490 0.262 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC001226799502 1225854672 /nfs/dbraw/zinc/85/46/72/1225854672.db2.gz AXGKKNGNONSSOQ-BFYDXBDKSA-N 2 1 361.494 0.865 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067704096 1218914633 /nfs/dbraw/zinc/91/46/33/1218914633.db2.gz UNOIACOKAPTSOF-HZPDHXFCSA-N 2 1 370.538 0.743 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067704096 1218914638 /nfs/dbraw/zinc/91/46/38/1218914638.db2.gz UNOIACOKAPTSOF-HZPDHXFCSA-N 2 1 370.538 0.743 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067704096 1218914646 /nfs/dbraw/zinc/91/46/46/1218914646.db2.gz UNOIACOKAPTSOF-HZPDHXFCSA-N 2 1 370.538 0.743 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067704096 1218914658 /nfs/dbraw/zinc/91/46/58/1218914658.db2.gz UNOIACOKAPTSOF-HZPDHXFCSA-N 2 1 370.538 0.743 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001226892175 1225857255 /nfs/dbraw/zinc/85/72/55/1225857255.db2.gz ZJNBPUQMMRBVFG-GVDBMIGSSA-N 2 1 365.522 0.903 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001227150459 1225864862 /nfs/dbraw/zinc/86/48/62/1225864862.db2.gz RQBCLOPKGLKFRI-MGPQQGTHSA-N 2 1 369.510 0.578 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227158805 1225865001 /nfs/dbraw/zinc/86/50/01/1225865001.db2.gz PQYIVOIXSXYHPC-HZPDHXFCSA-N 2 1 370.538 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]3C2)CC[N@H+]1C ZINC001055358814 1219033553 /nfs/dbraw/zinc/03/35/53/1219033553.db2.gz NYRQPBFLHGAWJB-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001227166579 1225865381 /nfs/dbraw/zinc/86/53/81/1225865381.db2.gz WAYXTAQSDIEUMC-HZPDHXFCSA-N 2 1 370.538 0.886 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1 ZINC001227065600 1225862729 /nfs/dbraw/zinc/86/27/29/1225862729.db2.gz IPGBBNOXZXUJEO-HZPDHXFCSA-N 2 1 365.478 0.945 20 0 FCADMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1)[NH+](C)C ZINC001055593687 1219093217 /nfs/dbraw/zinc/09/32/17/1219093217.db2.gz AAYMFGWODAZYCP-DJIMGWMZSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804051104 1219104019 /nfs/dbraw/zinc/10/40/19/1219104019.db2.gz NEDUCXRAWAHLAT-TWMKSMIVSA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804051104 1219104024 /nfs/dbraw/zinc/10/40/24/1219104024.db2.gz NEDUCXRAWAHLAT-TWMKSMIVSA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804051104 1219104028 /nfs/dbraw/zinc/10/40/28/1219104028.db2.gz NEDUCXRAWAHLAT-TWMKSMIVSA-N 2 1 364.490 0.051 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804051826 1219104535 /nfs/dbraw/zinc/10/45/35/1219104535.db2.gz VUVNAEAGPCRINK-IKGGRYGDSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804051826 1219104542 /nfs/dbraw/zinc/10/45/42/1219104542.db2.gz VUVNAEAGPCRINK-IKGGRYGDSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804051826 1219104548 /nfs/dbraw/zinc/10/45/48/1219104548.db2.gz VUVNAEAGPCRINK-IKGGRYGDSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804055943 1219109325 /nfs/dbraw/zinc/10/93/25/1219109325.db2.gz PTHGOYWYVLQNDW-IRXDYDNUSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000804060992 1219114761 /nfs/dbraw/zinc/11/47/61/1219114761.db2.gz QWDYKISQIJEUOX-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061662 1219117021 /nfs/dbraw/zinc/11/70/21/1219117021.db2.gz WBENAPOVEMYVES-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061662 1219117025 /nfs/dbraw/zinc/11/70/25/1219117025.db2.gz WBENAPOVEMYVES-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096299 1219168252 /nfs/dbraw/zinc/16/82/52/1219168252.db2.gz SJWWBVTVGHNENH-KURKYZTESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096299 1219168254 /nfs/dbraw/zinc/16/82/54/1219168254.db2.gz SJWWBVTVGHNENH-KURKYZTESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096299 1219168260 /nfs/dbraw/zinc/16/82/60/1219168260.db2.gz SJWWBVTVGHNENH-KURKYZTESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096299 1219168261 /nfs/dbraw/zinc/16/82/61/1219168261.db2.gz SJWWBVTVGHNENH-KURKYZTESA-N 2 1 369.473 0.475 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001227445061 1225875074 /nfs/dbraw/zinc/87/50/74/1225875074.db2.gz ZQHQPEYYKPGLNP-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001227445061 1225875078 /nfs/dbraw/zinc/87/50/78/1225875078.db2.gz ZQHQPEYYKPGLNP-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070209142 1219294865 /nfs/dbraw/zinc/29/48/65/1219294865.db2.gz NTQNTQZYPYRWHP-MSOLQXFVSA-N 2 1 369.473 0.699 20 0 FCADMP COc1cnc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277237705 1225884197 /nfs/dbraw/zinc/88/41/97/1225884197.db2.gz BXZFTVKKNFLNPU-SFHVURJKSA-N 2 1 361.446 0.388 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070327055 1219377442 /nfs/dbraw/zinc/37/74/42/1219377442.db2.gz PUHNBJMTHDINOB-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331354 1219381603 /nfs/dbraw/zinc/38/16/03/1219381603.db2.gz ROZNUUMUFOEUCP-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331354 1219381607 /nfs/dbraw/zinc/38/16/07/1219381607.db2.gz ROZNUUMUFOEUCP-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001070354486 1219390529 /nfs/dbraw/zinc/39/05/29/1219390529.db2.gz LRTYXOPFHXJALT-KKUMJFAQSA-N 2 1 364.494 0.776 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC001070354486 1219390535 /nfs/dbraw/zinc/39/05/35/1219390535.db2.gz LRTYXOPFHXJALT-KKUMJFAQSA-N 2 1 364.494 0.776 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC001070354486 1219390543 /nfs/dbraw/zinc/39/05/43/1219390543.db2.gz LRTYXOPFHXJALT-KKUMJFAQSA-N 2 1 364.494 0.776 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)[nH]2)C1 ZINC001070357445 1219395279 /nfs/dbraw/zinc/39/52/79/1219395279.db2.gz NYFYUQOFABNQAU-ILXRZTDVSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n[nH]2)C1 ZINC001070357445 1219395283 /nfs/dbraw/zinc/39/52/83/1219395283.db2.gz NYFYUQOFABNQAU-ILXRZTDVSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n[nH]2)C1 ZINC001070357445 1219395286 /nfs/dbraw/zinc/39/52/86/1219395286.db2.gz NYFYUQOFABNQAU-ILXRZTDVSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n2)C1 ZINC001070357445 1219395290 /nfs/dbraw/zinc/39/52/90/1219395290.db2.gz NYFYUQOFABNQAU-ILXRZTDVSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n2)C1 ZINC001070357445 1219395294 /nfs/dbraw/zinc/39/52/94/1219395294.db2.gz NYFYUQOFABNQAU-ILXRZTDVSA-N 2 1 362.478 0.245 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070372722 1219402374 /nfs/dbraw/zinc/40/23/74/1219402374.db2.gz CXUDTZPBOJQABE-IIVZCXTMSA-N 2 1 366.506 0.201 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070372722 1219402376 /nfs/dbraw/zinc/40/23/76/1219402376.db2.gz CXUDTZPBOJQABE-IIVZCXTMSA-N 2 1 366.506 0.201 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070475136 1219425506 /nfs/dbraw/zinc/42/55/06/1219425506.db2.gz GCQFMWCSCQOWQW-CGTJXYLNSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070500688 1219441251 /nfs/dbraw/zinc/44/12/51/1219441251.db2.gz BXVGXAWDUJJEEC-XYJFISCASA-N 2 1 363.506 0.559 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534640 1219457561 /nfs/dbraw/zinc/45/75/61/1219457561.db2.gz FVKYYGDDLAKMKU-YQQAZPJKSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070564098 1219471566 /nfs/dbraw/zinc/47/15/66/1219471566.db2.gz VBRXHVWEWZYEMR-QILLFSRXSA-N 2 1 371.489 0.190 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n[nH]2)C1 ZINC001070577064 1219477689 /nfs/dbraw/zinc/47/76/89/1219477689.db2.gz MVUABAAOROATCW-SOUVJXGZSA-N 2 1 362.478 0.592 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n2)C1 ZINC001070577064 1219477691 /nfs/dbraw/zinc/47/76/91/1219477691.db2.gz MVUABAAOROATCW-SOUVJXGZSA-N 2 1 362.478 0.592 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n2)C1 ZINC001070577064 1219477693 /nfs/dbraw/zinc/47/76/93/1219477693.db2.gz MVUABAAOROATCW-SOUVJXGZSA-N 2 1 362.478 0.592 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070629224 1219494477 /nfs/dbraw/zinc/49/44/77/1219494477.db2.gz FQVXRFFVZWSVEK-BRWVUGGUSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277273671 1225898313 /nfs/dbraw/zinc/89/83/13/1225898313.db2.gz BPZZMGPLSZHLLG-SJORKVTESA-N 2 1 362.518 0.870 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682299 1219523595 /nfs/dbraw/zinc/52/35/95/1219523595.db2.gz TVLPZMXSKKODSN-NUJGCVRESA-N 2 1 363.506 0.823 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682299 1219523597 /nfs/dbraw/zinc/52/35/97/1219523597.db2.gz TVLPZMXSKKODSN-NUJGCVRESA-N 2 1 363.506 0.823 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)CC2 ZINC001228215947 1225900892 /nfs/dbraw/zinc/90/08/92/1225900892.db2.gz MQLAGTMNJVXMHA-USXIJHARSA-N 2 1 361.490 0.859 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913088 1219566114 /nfs/dbraw/zinc/56/61/14/1219566114.db2.gz BBDQEMDWJHXARI-XHSDSOJGSA-N 2 1 364.490 0.987 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001070919590 1219573916 /nfs/dbraw/zinc/57/39/16/1219573916.db2.gz NRNKIOSVQRXYAG-OAGGEKHMSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001070919590 1219573923 /nfs/dbraw/zinc/57/39/23/1219573923.db2.gz NRNKIOSVQRXYAG-OAGGEKHMSA-N 2 1 364.490 0.844 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001070919590 1219573927 /nfs/dbraw/zinc/57/39/27/1219573927.db2.gz NRNKIOSVQRXYAG-OAGGEKHMSA-N 2 1 364.490 0.844 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001070919590 1219573930 /nfs/dbraw/zinc/57/39/30/1219573930.db2.gz NRNKIOSVQRXYAG-OAGGEKHMSA-N 2 1 364.490 0.844 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070922390 1219579075 /nfs/dbraw/zinc/57/90/75/1219579075.db2.gz JECDYTBMINIBAI-OAGGEKHMSA-N 2 1 362.474 0.597 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C[N@H+]1CCO ZINC001228265823 1225906660 /nfs/dbraw/zinc/90/66/60/1225906660.db2.gz ZKEKCBODABZJMB-IKGGRYGDSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073092326 1219636265 /nfs/dbraw/zinc/63/62/65/1219636265.db2.gz SXDCPFAPVUJLSF-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073092326 1219636266 /nfs/dbraw/zinc/63/62/66/1219636266.db2.gz SXDCPFAPVUJLSF-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073092326 1219636267 /nfs/dbraw/zinc/63/62/67/1219636267.db2.gz SXDCPFAPVUJLSF-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073092326 1219636269 /nfs/dbraw/zinc/63/62/69/1219636269.db2.gz SXDCPFAPVUJLSF-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+](C)C)CC2(C)C)O1 ZINC001073421072 1219662540 /nfs/dbraw/zinc/66/25/40/1219662540.db2.gz OKGGGMJPLXJIPB-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+](C)C)CC2(C)C)O1 ZINC001073421072 1219662542 /nfs/dbraw/zinc/66/25/42/1219662542.db2.gz OKGGGMJPLXJIPB-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074618016 1219704717 /nfs/dbraw/zinc/70/47/17/1219704717.db2.gz REQBYYRYAIZEKP-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074618016 1219704723 /nfs/dbraw/zinc/70/47/23/1219704723.db2.gz REQBYYRYAIZEKP-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074618016 1219704728 /nfs/dbraw/zinc/70/47/28/1219704728.db2.gz REQBYYRYAIZEKP-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399034 1219773791 /nfs/dbraw/zinc/77/37/91/1219773791.db2.gz VQHMSYBTFFWCPJ-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399034 1219773793 /nfs/dbraw/zinc/77/37/93/1219773793.db2.gz VQHMSYBTFFWCPJ-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399034 1219773795 /nfs/dbraw/zinc/77/37/95/1219773795.db2.gz VQHMSYBTFFWCPJ-TVFCKZIOSA-N 2 1 356.470 0.959 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)CC1 ZINC001099092830 1219909878 /nfs/dbraw/zinc/90/98/78/1219909878.db2.gz OJAUSKUZJOBSBI-HKUYNNGSSA-N 2 1 360.506 0.981 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099162898 1219936085 /nfs/dbraw/zinc/93/60/85/1219936085.db2.gz ZXQZBHQXJLXGLX-FCEWJHQRSA-N 2 1 358.490 0.832 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099162898 1219936088 /nfs/dbraw/zinc/93/60/88/1219936088.db2.gz ZXQZBHQXJLXGLX-FCEWJHQRSA-N 2 1 358.490 0.832 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001099162830 1219936306 /nfs/dbraw/zinc/93/63/06/1219936306.db2.gz WQITZOJHIXYHLP-KXBFYZLASA-N 2 1 362.474 0.202 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001099162830 1219936309 /nfs/dbraw/zinc/93/63/09/1219936309.db2.gz WQITZOJHIXYHLP-KXBFYZLASA-N 2 1 362.474 0.202 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001099162266 1219936321 /nfs/dbraw/zinc/93/63/21/1219936321.db2.gz AJPLCNYOZQJJSO-SCTDSRPQSA-N 2 1 361.490 0.311 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001099162266 1219936324 /nfs/dbraw/zinc/93/63/24/1219936324.db2.gz AJPLCNYOZQJJSO-SCTDSRPQSA-N 2 1 361.490 0.311 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099162996 1219937329 /nfs/dbraw/zinc/93/73/29/1219937329.db2.gz GXCJUKABZVBHIJ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099162996 1219937335 /nfs/dbraw/zinc/93/73/35/1219937335.db2.gz GXCJUKABZVBHIJ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[N@H+](C)C2CCC2)C3)n1 ZINC001099447043 1219999834 /nfs/dbraw/zinc/99/98/34/1219999834.db2.gz VMHSXNXXXGGCMG-KSSFIOAISA-N 2 1 361.494 0.413 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[N@@H+](C)C2CCC2)C3)n1 ZINC001099447043 1219999839 /nfs/dbraw/zinc/99/98/39/1219999839.db2.gz VMHSXNXXXGGCMG-KSSFIOAISA-N 2 1 361.494 0.413 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228595390 1225935762 /nfs/dbraw/zinc/93/57/62/1225935762.db2.gz WKEHPKXYZNBMRA-GVDBMIGSSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099496087 1220014667 /nfs/dbraw/zinc/01/46/67/1220014667.db2.gz ADDHHBJJYGQJED-VKJFTORMSA-N 2 1 361.494 0.413 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240707 1220240692 /nfs/dbraw/zinc/24/06/92/1220240692.db2.gz FVDCIADPQUIWIT-GGPKGHCWSA-N 2 1 365.518 0.772 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241092 1220241423 /nfs/dbraw/zinc/24/14/23/1220241423.db2.gz QFZNSUXIAXNWTE-UWVAXJGDSA-N 2 1 362.518 0.587 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267872 1220256189 /nfs/dbraw/zinc/25/61/89/1220256189.db2.gz WQJYVOGYQSEEGC-AOIWGVFYSA-N 2 1 363.506 0.630 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267872 1220256192 /nfs/dbraw/zinc/25/61/92/1220256192.db2.gz WQJYVOGYQSEEGC-AOIWGVFYSA-N 2 1 363.506 0.630 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101267904 1220256731 /nfs/dbraw/zinc/25/67/31/1220256731.db2.gz XSDKAFFRJSOQIV-MDZRGWNJSA-N 2 1 362.474 0.550 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101267904 1220256735 /nfs/dbraw/zinc/25/67/35/1220256735.db2.gz XSDKAFFRJSOQIV-MDZRGWNJSA-N 2 1 362.474 0.550 20 0 FCADMP CN(CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)c1cc[nH+]cc1 ZINC001101286456 1220268213 /nfs/dbraw/zinc/26/82/13/1220268213.db2.gz YMOPMAQOKVLZPJ-SYNHAJSKSA-N 2 1 371.485 0.577 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101344823 1220295653 /nfs/dbraw/zinc/29/56/53/1220295653.db2.gz FVHGEKDDUUFSTG-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1 ZINC001101351520 1220298406 /nfs/dbraw/zinc/29/84/06/1220298406.db2.gz IVXAFFNAXVWRMY-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101353195 1220298496 /nfs/dbraw/zinc/29/84/96/1220298496.db2.gz VPKUJIZTKMBKLF-HLIPFELVSA-N 2 1 364.534 0.879 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368739 1220304889 /nfs/dbraw/zinc/30/48/89/1220304889.db2.gz KNWIJYULBBTXKI-GUXCAODWSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368739 1220304891 /nfs/dbraw/zinc/30/48/91/1220304891.db2.gz KNWIJYULBBTXKI-GUXCAODWSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368739 1220304893 /nfs/dbraw/zinc/30/48/93/1220304893.db2.gz KNWIJYULBBTXKI-GUXCAODWSA-N 2 1 364.534 0.975 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001101413530 1220329899 /nfs/dbraw/zinc/32/98/99/1220329899.db2.gz QWICFAMMXOMCJD-HBFSDRIKSA-N 2 1 367.534 0.894 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418579 1220333286 /nfs/dbraw/zinc/33/32/86/1220333286.db2.gz ZAPNMSBQJZBBJP-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418579 1220333289 /nfs/dbraw/zinc/33/32/89/1220333289.db2.gz ZAPNMSBQJZBBJP-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418579 1220333295 /nfs/dbraw/zinc/33/32/95/1220333295.db2.gz ZAPNMSBQJZBBJP-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432448 1220340756 /nfs/dbraw/zinc/34/07/56/1220340756.db2.gz SHSZRUDOGGQWBH-FCEWJHQRSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101435598 1220344861 /nfs/dbraw/zinc/34/48/61/1220344861.db2.gz YNRLEVQGJMJWNT-CLCXKQKWSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438848 1220345155 /nfs/dbraw/zinc/34/51/55/1220345155.db2.gz XQUKQUCBHGMVRL-IYOUNJFTSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438848 1220345157 /nfs/dbraw/zinc/34/51/57/1220345157.db2.gz XQUKQUCBHGMVRL-IYOUNJFTSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101438848 1220345160 /nfs/dbraw/zinc/34/51/60/1220345160.db2.gz XQUKQUCBHGMVRL-IYOUNJFTSA-N 2 1 367.494 0.082 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101443486 1220347678 /nfs/dbraw/zinc/34/76/78/1220347678.db2.gz HEZGWDMZPBBCPM-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101443486 1220347682 /nfs/dbraw/zinc/34/76/82/1220347682.db2.gz HEZGWDMZPBBCPM-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101443486 1220347684 /nfs/dbraw/zinc/34/76/84/1220347684.db2.gz HEZGWDMZPBBCPM-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)nn1 ZINC001101474298 1220366672 /nfs/dbraw/zinc/36/66/72/1220366672.db2.gz RRPLMXZYVQGWPE-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)nn1 ZINC001101474298 1220366675 /nfs/dbraw/zinc/36/66/75/1220366675.db2.gz RRPLMXZYVQGWPE-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]([NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001101550357 1220377864 /nfs/dbraw/zinc/37/78/64/1220377864.db2.gz FBVRSKDDXJAVNN-IIAWOOMASA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]([NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001101550357 1220377868 /nfs/dbraw/zinc/37/78/68/1220377868.db2.gz FBVRSKDDXJAVNN-IIAWOOMASA-N 2 1 368.522 0.434 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045177 1220475832 /nfs/dbraw/zinc/47/58/32/1220475832.db2.gz VFBZMOOAEQXLTR-KURKYZTESA-N 2 1 365.522 0.922 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045177 1220475836 /nfs/dbraw/zinc/47/58/36/1220475836.db2.gz VFBZMOOAEQXLTR-KURKYZTESA-N 2 1 365.522 0.922 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045178 1220476480 /nfs/dbraw/zinc/47/64/80/1220476480.db2.gz VFBZMOOAEQXLTR-KZNAEPCWSA-N 2 1 365.522 0.922 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045178 1220476482 /nfs/dbraw/zinc/47/64/82/1220476482.db2.gz VFBZMOOAEQXLTR-KZNAEPCWSA-N 2 1 365.522 0.922 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047369 1220476973 /nfs/dbraw/zinc/47/69/73/1220476973.db2.gz FADIHHHUXQCSKP-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047369 1220476977 /nfs/dbraw/zinc/47/69/77/1220476977.db2.gz FADIHHHUXQCSKP-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047758 1220477502 /nfs/dbraw/zinc/47/75/02/1220477502.db2.gz RXRBJOUGIDWCBT-LSBZLQRGSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051612 1220479446 /nfs/dbraw/zinc/47/94/46/1220479446.db2.gz ALKGUVPWQHHQGZ-INMHGKMJSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051612 1220479448 /nfs/dbraw/zinc/47/94/48/1220479448.db2.gz ALKGUVPWQHHQGZ-INMHGKMJSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051612 1220479451 /nfs/dbraw/zinc/47/94/51/1220479451.db2.gz ALKGUVPWQHHQGZ-INMHGKMJSA-N 2 1 360.506 0.934 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070210 1220486307 /nfs/dbraw/zinc/48/63/07/1220486307.db2.gz ASFSUHWTYWZRPD-NUJGCVRESA-N 2 1 370.538 0.409 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102100986 1220495459 /nfs/dbraw/zinc/49/54/59/1220495459.db2.gz HFQPHNMZXVATIE-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102100986 1220495465 /nfs/dbraw/zinc/49/54/65/1220495465.db2.gz HFQPHNMZXVATIE-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102100986 1220495470 /nfs/dbraw/zinc/49/54/70/1220495470.db2.gz HFQPHNMZXVATIE-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108225 1220499432 /nfs/dbraw/zinc/49/94/32/1220499432.db2.gz BIIUMEGNTNAZGO-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108225 1220499434 /nfs/dbraw/zinc/49/94/34/1220499434.db2.gz BIIUMEGNTNAZGO-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108314 1220499744 /nfs/dbraw/zinc/49/97/44/1220499744.db2.gz GUBJQHMMFRTDEN-HZPDHXFCSA-N 2 1 361.490 0.680 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102157561 1220528209 /nfs/dbraw/zinc/52/82/09/1220528209.db2.gz KGAWKULGRXBDKH-UKPHBRMFSA-N 2 1 361.490 0.790 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102157561 1220528212 /nfs/dbraw/zinc/52/82/12/1220528212.db2.gz KGAWKULGRXBDKH-UKPHBRMFSA-N 2 1 361.490 0.790 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1C ZINC001102287132 1220574342 /nfs/dbraw/zinc/57/43/42/1220574342.db2.gz OKTPIUXZQYPTDU-HUUCEWRRSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1C ZINC001102287132 1220574352 /nfs/dbraw/zinc/57/43/52/1220574352.db2.gz OKTPIUXZQYPTDU-HUUCEWRRSA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292243 1220575646 /nfs/dbraw/zinc/57/56/46/1220575646.db2.gz FNZCCRFQKRRAKA-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292243 1220575652 /nfs/dbraw/zinc/57/56/52/1220575652.db2.gz FNZCCRFQKRRAKA-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290480 1220576090 /nfs/dbraw/zinc/57/60/90/1220576090.db2.gz GFQRCHACSSIYGP-IXDOHACOSA-N 2 1 364.534 0.929 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312643 1220582741 /nfs/dbraw/zinc/58/27/41/1220582741.db2.gz HECOTYZDNUJHCB-NVXWUHKLSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376906 1220599760 /nfs/dbraw/zinc/59/97/60/1220599760.db2.gz BVDYTIYVEJWWFP-SOLBZPMBSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376906 1220599765 /nfs/dbraw/zinc/59/97/65/1220599765.db2.gz BVDYTIYVEJWWFP-SOLBZPMBSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376906 1220599770 /nfs/dbraw/zinc/59/97/70/1220599770.db2.gz BVDYTIYVEJWWFP-SOLBZPMBSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102464611 1220635521 /nfs/dbraw/zinc/63/55/21/1220635521.db2.gz YHDFXDUXPQBORP-QZTJIDSGSA-N 2 1 371.522 0.182 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102464611 1220635528 /nfs/dbraw/zinc/63/55/28/1220635528.db2.gz YHDFXDUXPQBORP-QZTJIDSGSA-N 2 1 371.522 0.182 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102466177 1220637133 /nfs/dbraw/zinc/63/71/33/1220637133.db2.gz IGIANDLDFUNXCM-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102466177 1220637137 /nfs/dbraw/zinc/63/71/37/1220637137.db2.gz IGIANDLDFUNXCM-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1)C(N)=O ZINC001229134501 1225982500 /nfs/dbraw/zinc/98/25/00/1225982500.db2.gz APZCKPCVSSJVGH-BRWVUGGUSA-N 2 1 368.522 0.770 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489144 1220652140 /nfs/dbraw/zinc/65/21/40/1220652140.db2.gz VCLYPHGQEPESGT-HZPDHXFCSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489144 1220652142 /nfs/dbraw/zinc/65/21/42/1220652142.db2.gz VCLYPHGQEPESGT-HZPDHXFCSA-N 2 1 363.506 0.715 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142698 1225983426 /nfs/dbraw/zinc/98/34/26/1225983426.db2.gz ZHPCDQJVKQYDQL-GVDBMIGSSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513235 1220671976 /nfs/dbraw/zinc/67/19/76/1220671976.db2.gz AXNQDOVGNMEDAH-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513454 1220672251 /nfs/dbraw/zinc/67/22/51/1220672251.db2.gz LGKUBYHJSARTIS-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514060 1220673112 /nfs/dbraw/zinc/67/31/12/1220673112.db2.gz LFYAADIJDNXEQH-OWCLPIDISA-N 2 1 370.538 0.552 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514427 1220673124 /nfs/dbraw/zinc/67/31/24/1220673124.db2.gz WYUUVKZNZOICSV-QLFBSQMISA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514427 1220673125 /nfs/dbraw/zinc/67/31/25/1220673125.db2.gz WYUUVKZNZOICSV-QLFBSQMISA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001102514427 1220673128 /nfs/dbraw/zinc/67/31/28/1220673128.db2.gz WYUUVKZNZOICSV-QLFBSQMISA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001102514427 1220673130 /nfs/dbraw/zinc/67/31/30/1220673130.db2.gz WYUUVKZNZOICSV-QLFBSQMISA-N 2 1 365.478 0.742 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102514362 1220673864 /nfs/dbraw/zinc/67/38/64/1220673864.db2.gz UXMCVMZBBCOIKU-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515506 1220675025 /nfs/dbraw/zinc/67/50/25/1220675025.db2.gz WSFUWGUWWLFRCU-NVXWUHKLSA-N 2 1 362.518 0.683 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524538 1220681129 /nfs/dbraw/zinc/68/11/29/1220681129.db2.gz KORPGCWTWLMMHD-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524538 1220681133 /nfs/dbraw/zinc/68/11/33/1220681133.db2.gz KORPGCWTWLMMHD-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001102524538 1220681136 /nfs/dbraw/zinc/68/11/36/1220681136.db2.gz KORPGCWTWLMMHD-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102579034 1220701256 /nfs/dbraw/zinc/70/12/56/1220701256.db2.gz FXYSGKCCIBTPFH-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102579034 1220701260 /nfs/dbraw/zinc/70/12/60/1220701260.db2.gz FXYSGKCCIBTPFH-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1 ZINC001102600890 1220723197 /nfs/dbraw/zinc/72/31/97/1220723197.db2.gz AJUMKDQGPAWZNU-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1 ZINC001102600890 1220723202 /nfs/dbraw/zinc/72/32/02/1220723202.db2.gz AJUMKDQGPAWZNU-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001102600890 1220723205 /nfs/dbraw/zinc/72/32/05/1220723205.db2.gz AJUMKDQGPAWZNU-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001102600890 1220723213 /nfs/dbraw/zinc/72/32/13/1220723213.db2.gz AJUMKDQGPAWZNU-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781990 1220782699 /nfs/dbraw/zinc/78/26/99/1220782699.db2.gz FXDPCUJLWFUVHG-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102781990 1220782704 /nfs/dbraw/zinc/78/27/04/1220782704.db2.gz FXDPCUJLWFUVHG-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102781990 1220782708 /nfs/dbraw/zinc/78/27/08/1220782708.db2.gz FXDPCUJLWFUVHG-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993929 1220817541 /nfs/dbraw/zinc/81/75/41/1220817541.db2.gz KFZFZQFFIACUNT-KBAYOESNSA-N 2 1 360.506 0.694 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993672 1220817571 /nfs/dbraw/zinc/81/75/71/1220817571.db2.gz DUMZJFAPPYZKKC-DJIMGWMZSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993672 1220817573 /nfs/dbraw/zinc/81/75/73/1220817573.db2.gz DUMZJFAPPYZKKC-DJIMGWMZSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993602 1220817688 /nfs/dbraw/zinc/81/76/88/1220817688.db2.gz CGHAPPLAYAQCBG-QGPMSJSTSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001103005154 1220819013 /nfs/dbraw/zinc/81/90/13/1220819013.db2.gz TWKJBTTUIVDIJX-QBPKDAKJSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001103005154 1220819015 /nfs/dbraw/zinc/81/90/15/1220819015.db2.gz TWKJBTTUIVDIJX-QBPKDAKJSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@H+]1C ZINC001103005154 1220819017 /nfs/dbraw/zinc/81/90/17/1220819017.db2.gz TWKJBTTUIVDIJX-QBPKDAKJSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001103086987 1220831344 /nfs/dbraw/zinc/83/13/44/1220831344.db2.gz ZZNAVIOBDHJIPY-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001103086987 1220831345 /nfs/dbraw/zinc/83/13/45/1220831345.db2.gz ZZNAVIOBDHJIPY-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001103136882 1220839154 /nfs/dbraw/zinc/83/91/54/1220839154.db2.gz RPQUZDRUCYPHJQ-QZTJIDSGSA-N 2 1 367.534 0.946 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185586 1220847519 /nfs/dbraw/zinc/84/75/19/1220847519.db2.gz FNDOFILFTHXONN-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103234159 1220855258 /nfs/dbraw/zinc/85/52/58/1220855258.db2.gz CXZHMIDRHNPNON-VNQPRFMTSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103234159 1220855262 /nfs/dbraw/zinc/85/52/62/1220855262.db2.gz CXZHMIDRHNPNON-VNQPRFMTSA-N 2 1 361.490 0.933 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364520 1220871487 /nfs/dbraw/zinc/87/14/87/1220871487.db2.gz JXKCDUNDHBBXMF-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364520 1220871491 /nfs/dbraw/zinc/87/14/91/1220871491.db2.gz JXKCDUNDHBBXMF-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364520 1220871495 /nfs/dbraw/zinc/87/14/95/1220871495.db2.gz JXKCDUNDHBBXMF-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398443 1220877222 /nfs/dbraw/zinc/87/72/22/1220877222.db2.gz SLIFIHCBZYTCBK-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103434336 1220882381 /nfs/dbraw/zinc/88/23/81/1220882381.db2.gz ZOCBSAYQWQVMMM-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103434336 1220882384 /nfs/dbraw/zinc/88/23/84/1220882384.db2.gz ZOCBSAYQWQVMMM-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103434336 1220882386 /nfs/dbraw/zinc/88/23/86/1220882386.db2.gz ZOCBSAYQWQVMMM-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536886 1220897441 /nfs/dbraw/zinc/89/74/41/1220897441.db2.gz HLEFOIZZMYRHLR-SJLPKXTDSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536886 1220897442 /nfs/dbraw/zinc/89/74/42/1220897442.db2.gz HLEFOIZZMYRHLR-SJLPKXTDSA-N 2 1 363.506 0.717 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103550326 1220899354 /nfs/dbraw/zinc/89/93/54/1220899354.db2.gz KNLTYSAYLMLIFJ-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642252 1220925669 /nfs/dbraw/zinc/92/56/69/1220925669.db2.gz WQKWDIYUQBHRPN-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001103647121 1220927900 /nfs/dbraw/zinc/92/79/00/1220927900.db2.gz VLVGSOCGUQLGTL-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001103647121 1220927902 /nfs/dbraw/zinc/92/79/02/1220927902.db2.gz VLVGSOCGUQLGTL-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719199 1220951175 /nfs/dbraw/zinc/95/11/75/1220951175.db2.gz UUNIOKJQZFVBNU-KBAYOESNSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719199 1220951179 /nfs/dbraw/zinc/95/11/79/1220951179.db2.gz UUNIOKJQZFVBNU-KBAYOESNSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719199 1220951185 /nfs/dbraw/zinc/95/11/85/1220951185.db2.gz UUNIOKJQZFVBNU-KBAYOESNSA-N 2 1 360.502 0.911 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740381 1220958305 /nfs/dbraw/zinc/95/83/05/1220958305.db2.gz FQAFTXRRFMKEFY-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740381 1220958311 /nfs/dbraw/zinc/95/83/11/1220958311.db2.gz FQAFTXRRFMKEFY-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740381 1220958315 /nfs/dbraw/zinc/95/83/15/1220958315.db2.gz FQAFTXRRFMKEFY-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001103740381 1220958319 /nfs/dbraw/zinc/95/83/19/1220958319.db2.gz FQAFTXRRFMKEFY-KZNAEPCWSA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742650 1220959816 /nfs/dbraw/zinc/95/98/16/1220959816.db2.gz PRSHFMKAPBARFI-NXHRZFHOSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742650 1220959821 /nfs/dbraw/zinc/95/98/21/1220959821.db2.gz PRSHFMKAPBARFI-NXHRZFHOSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742650 1220959827 /nfs/dbraw/zinc/95/98/27/1220959827.db2.gz PRSHFMKAPBARFI-NXHRZFHOSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001103742650 1220959830 /nfs/dbraw/zinc/95/98/30/1220959830.db2.gz PRSHFMKAPBARFI-NXHRZFHOSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103755613 1220965879 /nfs/dbraw/zinc/96/58/79/1220965879.db2.gz MMMVWFPYCPQUAT-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103755613 1220965890 /nfs/dbraw/zinc/96/58/90/1220965890.db2.gz MMMVWFPYCPQUAT-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103755613 1220965902 /nfs/dbraw/zinc/96/59/02/1220965902.db2.gz MMMVWFPYCPQUAT-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103755613 1220965914 /nfs/dbraw/zinc/96/59/14/1220965914.db2.gz MMMVWFPYCPQUAT-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755565 1220966057 /nfs/dbraw/zinc/96/60/57/1220966057.db2.gz LLQGUSFFRWRHSA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755565 1220966073 /nfs/dbraw/zinc/96/60/73/1220966073.db2.gz LLQGUSFFRWRHSA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755565 1220966079 /nfs/dbraw/zinc/96/60/79/1220966079.db2.gz LLQGUSFFRWRHSA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033731 1221001707 /nfs/dbraw/zinc/00/17/07/1221001707.db2.gz FSTLGCGZAKCERQ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033731 1221001711 /nfs/dbraw/zinc/00/17/11/1221001711.db2.gz FSTLGCGZAKCERQ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104034095 1221001779 /nfs/dbraw/zinc/00/17/79/1221001779.db2.gz SDKIVGYCOLQCCS-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104034095 1221001782 /nfs/dbraw/zinc/00/17/82/1221001782.db2.gz SDKIVGYCOLQCCS-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001111502863 1221025276 /nfs/dbraw/zinc/02/52/76/1221025276.db2.gz YDTDWHNACIOHCW-AHCXZYCDSA-N 2 1 374.441 0.775 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111776197 1221104299 /nfs/dbraw/zinc/10/42/99/1221104299.db2.gz TXMOLXVZDJFYSK-BJLQDIEVSA-N 2 1 367.534 0.944 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111776197 1221104302 /nfs/dbraw/zinc/10/43/02/1221104302.db2.gz TXMOLXVZDJFYSK-BJLQDIEVSA-N 2 1 367.534 0.944 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111776197 1221104304 /nfs/dbraw/zinc/10/43/04/1221104304.db2.gz TXMOLXVZDJFYSK-BJLQDIEVSA-N 2 1 367.534 0.944 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2)C1CCC1 ZINC001111778760 1221104878 /nfs/dbraw/zinc/10/48/78/1221104878.db2.gz KPDKFKOJCBCSBW-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2)C1CCC1 ZINC001111778760 1221104880 /nfs/dbraw/zinc/10/48/80/1221104880.db2.gz KPDKFKOJCBCSBW-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2)C1CCC1 ZINC001111778760 1221104883 /nfs/dbraw/zinc/10/48/83/1221104883.db2.gz KPDKFKOJCBCSBW-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1)c1ccccc1 ZINC000781997497 1221120974 /nfs/dbraw/zinc/12/09/74/1221120974.db2.gz CHTQHCKOLHSBOW-MRXNPFEDSA-N 2 1 360.458 0.980 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000888092322 1221136977 /nfs/dbraw/zinc/13/69/77/1221136977.db2.gz ULAHAHVPGCWSKN-HXUWFJFHSA-N 2 1 373.497 0.980 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCNC(C)=O)C2)[NH+](C)C ZINC001111875404 1221146338 /nfs/dbraw/zinc/14/63/38/1221146338.db2.gz ZDVBTISRNJWGBA-LNLFQRSKSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C3(C)OCCO3)C1)C2=O ZINC000784038330 1221229141 /nfs/dbraw/zinc/22/91/41/1221229141.db2.gz RPHMBJRNKLRKFN-AWEZNQCLSA-N 2 1 366.462 0.435 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C3(C)OCCO3)C1)C2=O ZINC000784038332 1221229363 /nfs/dbraw/zinc/22/93/63/1221229363.db2.gz RPHMBJRNKLRKFN-CQSZACIVSA-N 2 1 366.462 0.435 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001112285084 1221230442 /nfs/dbraw/zinc/23/04/42/1221230442.db2.gz LJHDQKYARNXKLB-QKLQHJQFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)CC[N@H+]1C ZINC001112359746 1221245505 /nfs/dbraw/zinc/24/55/05/1221245505.db2.gz IXCVWTNPVWUANK-NTDBWNAOSA-N 2 1 360.506 0.837 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CCCCC2)O1 ZINC001115593190 1221316681 /nfs/dbraw/zinc/31/66/81/1221316681.db2.gz BDDNUFLXOKNWEE-GDBMZVCRSA-N 2 1 366.506 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CCCCC2)O1 ZINC001115593190 1221316683 /nfs/dbraw/zinc/31/66/83/1221316683.db2.gz BDDNUFLXOKNWEE-GDBMZVCRSA-N 2 1 366.506 0.393 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229868940 1226038513 /nfs/dbraw/zinc/03/85/13/1226038513.db2.gz QJOXTOWNPXYZER-GVDBMIGSSA-N 2 1 368.522 0.329 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001117311819 1221514646 /nfs/dbraw/zinc/51/46/46/1221514646.db2.gz OXONFOVVFRGRHW-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC001117481936 1221554905 /nfs/dbraw/zinc/55/49/05/1221554905.db2.gz LGZQFVOVMHNLLP-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC001117481936 1221554909 /nfs/dbraw/zinc/55/49/09/1221554909.db2.gz LGZQFVOVMHNLLP-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC001117481936 1221554915 /nfs/dbraw/zinc/55/49/15/1221554915.db2.gz LGZQFVOVMHNLLP-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001230147528 1226058394 /nfs/dbraw/zinc/05/83/94/1226058394.db2.gz HMSHPSXOSDTZQU-HUUCEWRRSA-N 2 1 371.445 0.637 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001118098835 1221709222 /nfs/dbraw/zinc/70/92/22/1221709222.db2.gz BDHOZAMCXWVCJK-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001118098835 1221709225 /nfs/dbraw/zinc/70/92/25/1221709225.db2.gz BDHOZAMCXWVCJK-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001118098835 1221709228 /nfs/dbraw/zinc/70/92/28/1221709228.db2.gz BDHOZAMCXWVCJK-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001230215496 1226065232 /nfs/dbraw/zinc/06/52/32/1226065232.db2.gz PXNBJWDDZSVVTD-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001230215496 1226065237 /nfs/dbraw/zinc/06/52/37/1226065237.db2.gz PXNBJWDDZSVVTD-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+]1CCC(N2CCC(NC(=O)c3cn(CCCC[NH3+])nn3)CC2)CC1 ZINC001118195312 1221730784 /nfs/dbraw/zinc/73/07/84/1221730784.db2.gz KJMDKXXRPMAURT-UHFFFAOYSA-N 2 1 363.510 0.305 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC001118330741 1221761741 /nfs/dbraw/zinc/76/17/41/1221761741.db2.gz YCSZXCJSNWZYRC-DRRXZNNHSA-N 2 1 366.506 0.330 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001119317915 1221899043 /nfs/dbraw/zinc/89/90/43/1221899043.db2.gz OGVNEBZBNOULCL-GBESFXJTSA-N 2 1 364.534 0.535 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119352395 1221903930 /nfs/dbraw/zinc/90/39/30/1221903930.db2.gz MBGRYUNJEFNYTB-DOTOQJQBSA-N 2 1 361.490 0.748 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001119652883 1221945820 /nfs/dbraw/zinc/94/58/20/1221945820.db2.gz TZYRJOZFYFMILY-DLBZAZTESA-N 2 1 363.510 0.706 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001119652883 1221945823 /nfs/dbraw/zinc/94/58/23/1221945823.db2.gz TZYRJOZFYFMILY-DLBZAZTESA-N 2 1 363.510 0.706 20 0 FCADMP Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC001230858817 1226090242 /nfs/dbraw/zinc/09/02/42/1226090242.db2.gz NNZSTHZRHJJPFM-AEGPPILISA-N 2 1 368.482 0.779 20 0 FCADMP Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC001230858817 1226090250 /nfs/dbraw/zinc/09/02/50/1226090250.db2.gz NNZSTHZRHJJPFM-AEGPPILISA-N 2 1 368.482 0.779 20 0 FCADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)c2)CC1 ZINC001120376895 1222074502 /nfs/dbraw/zinc/07/45/02/1222074502.db2.gz NQNCBLWCBVVOFD-VQTJNVASSA-N 2 1 363.502 0.426 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CCn2c[nH+]cc2C1 ZINC001120511667 1222097848 /nfs/dbraw/zinc/09/78/48/1222097848.db2.gz SLIHEYQERGFHHX-GOEBONIOSA-N 2 1 355.398 0.665 20 0 FCADMP COC1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCOCC1 ZINC001120527000 1222100650 /nfs/dbraw/zinc/10/06/50/1222100650.db2.gz KDXLDAAASNYTCH-CALCHBBNSA-N 2 1 366.506 0.792 20 0 FCADMP CC(C)(C)NC(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120590330 1222107431 /nfs/dbraw/zinc/10/74/31/1222107431.db2.gz NGCPCWTWNDBOGE-IYBDPMFKSA-N 2 1 365.522 0.901 20 0 FCADMP CN1CC[C@H](N2CCC([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604619 1222108620 /nfs/dbraw/zinc/10/86/20/1222108620.db2.gz VZBTUIMUFDWBMY-PMACEKPBSA-N 2 1 374.529 0.764 20 0 FCADMP CN1CC[C@H](N2CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604619 1222108623 /nfs/dbraw/zinc/10/86/23/1222108623.db2.gz VZBTUIMUFDWBMY-PMACEKPBSA-N 2 1 374.529 0.764 20 0 FCADMP C[NH+]1CC[C@]2(CCN(c3ncnc(N4CC[C@@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC001120935057 1222131002 /nfs/dbraw/zinc/13/10/02/1222131002.db2.gz NDMKKILVTGRBCL-KDURUIRLSA-N 2 1 357.506 0.936 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(c3ncnc(N4CC[C@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC001120935057 1222131009 /nfs/dbraw/zinc/13/10/09/1222131009.db2.gz NDMKKILVTGRBCL-KDURUIRLSA-N 2 1 357.506 0.936 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(c3ncnc(N4CC[C@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC001120935057 1222131017 /nfs/dbraw/zinc/13/10/17/1222131017.db2.gz NDMKKILVTGRBCL-KDURUIRLSA-N 2 1 357.506 0.936 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001122111162 1222241669 /nfs/dbraw/zinc/24/16/69/1222241669.db2.gz RNDZGZUJSRYGIY-UHFFFAOYSA-N 2 1 374.489 0.560 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231700673 1226117385 /nfs/dbraw/zinc/11/73/85/1226117385.db2.gz JPPRVCDADRZQDM-UHFFFAOYSA-N 2 1 374.445 0.691 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123695606 1222351862 /nfs/dbraw/zinc/35/18/62/1222351862.db2.gz UXMFGXVADWMSLV-FUHWJXTLSA-N 2 1 367.538 0.375 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cn(C)c(=O)n(C)c4=O)C[C@H]3C2)cc1 ZINC001231767491 1226124211 /nfs/dbraw/zinc/12/42/11/1226124211.db2.gz IQRSVLDFWNCYDW-HDICACEKSA-N 2 1 368.481 0.956 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H]3C2)cc1 ZINC001231767491 1226124223 /nfs/dbraw/zinc/12/42/23/1226124223.db2.gz IQRSVLDFWNCYDW-HDICACEKSA-N 2 1 368.481 0.956 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H]3C2)cc1 ZINC001231767491 1226124227 /nfs/dbraw/zinc/12/42/27/1226124227.db2.gz IQRSVLDFWNCYDW-HDICACEKSA-N 2 1 368.481 0.956 20 0 FCADMP CNc1nccc(CN2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140040778 1222565366 /nfs/dbraw/zinc/56/53/66/1222565366.db2.gz ITLSJBYTNJKFFR-GDBMZVCRSA-N 2 1 362.478 0.129 20 0 FCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838302256 1222677123 /nfs/dbraw/zinc/67/71/23/1222677123.db2.gz OKINPPJLVGADEY-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838302256 1222677127 /nfs/dbraw/zinc/67/71/27/1222677127.db2.gz OKINPPJLVGADEY-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838302256 1222677128 /nfs/dbraw/zinc/67/71/28/1222677128.db2.gz OKINPPJLVGADEY-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(N)nc3)CC2)C1 ZINC001232367668 1226150122 /nfs/dbraw/zinc/15/01/22/1226150122.db2.gz OESNJDGOWUPAPI-UHFFFAOYSA-N 2 1 361.490 0.666 20 0 FCADMP O=C1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738823 1222801811 /nfs/dbraw/zinc/80/18/11/1222801811.db2.gz IUHBIFZVUPNOGH-KSZLIROESA-N 2 1 357.454 0.560 20 0 FCADMP O=C1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738823 1222801814 /nfs/dbraw/zinc/80/18/14/1222801814.db2.gz IUHBIFZVUPNOGH-KSZLIROESA-N 2 1 357.454 0.560 20 0 FCADMP O=C1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738823 1222801816 /nfs/dbraw/zinc/80/18/16/1222801816.db2.gz IUHBIFZVUPNOGH-KSZLIROESA-N 2 1 357.454 0.560 20 0 FCADMP O=C1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738823 1222801817 /nfs/dbraw/zinc/80/18/17/1222801817.db2.gz IUHBIFZVUPNOGH-KSZLIROESA-N 2 1 357.454 0.560 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109927 1222808281 /nfs/dbraw/zinc/80/82/81/1222808281.db2.gz OIUKLAYKASSHCH-WMLDXEAASA-N 2 1 360.458 0.905 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841144433 1222809973 /nfs/dbraw/zinc/80/99/73/1222809973.db2.gz ZSBFGPFZTXDSEE-HNNXBMFYSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cn1 ZINC000842161493 1222837870 /nfs/dbraw/zinc/83/78/70/1222837870.db2.gz DRJAJTXKBNQKAC-CJNGLKHVSA-N 2 1 370.457 0.778 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191066 1222839663 /nfs/dbraw/zinc/83/96/63/1222839663.db2.gz WOGOSRUYXWDUOO-FXAWDEMLSA-N 2 1 358.486 0.883 20 0 FCADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000843057867 1222858120 /nfs/dbraw/zinc/85/81/20/1222858120.db2.gz NAALLSBNBJYCAJ-SJLPKXTDSA-N 2 1 374.485 0.631 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000843247978 1222863134 /nfs/dbraw/zinc/86/31/34/1222863134.db2.gz JROZULVRQPZFRG-WCXIOVBPSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000843247978 1222863137 /nfs/dbraw/zinc/86/31/37/1222863137.db2.gz JROZULVRQPZFRG-WCXIOVBPSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000843247978 1222863141 /nfs/dbraw/zinc/86/31/41/1222863141.db2.gz JROZULVRQPZFRG-WCXIOVBPSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000843247978 1222863142 /nfs/dbraw/zinc/86/31/42/1222863142.db2.gz JROZULVRQPZFRG-WCXIOVBPSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000843255788 1222866061 /nfs/dbraw/zinc/86/60/61/1222866061.db2.gz XBVIEMLOEKHBDO-IYBDPMFKSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000843255788 1222866064 /nfs/dbraw/zinc/86/60/64/1222866064.db2.gz XBVIEMLOEKHBDO-IYBDPMFKSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354334 1222872945 /nfs/dbraw/zinc/87/29/45/1222872945.db2.gz ZCCHPXFJMZLRAS-UONOGXRCSA-N 2 1 365.478 0.722 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386258 1222874630 /nfs/dbraw/zinc/87/46/30/1222874630.db2.gz DVCFXBDSTMGDAF-IRXDYDNUSA-N 2 1 366.506 0.999 20 0 FCADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385922 1222874678 /nfs/dbraw/zinc/87/46/78/1222874678.db2.gz FRICPHRAAQZNLK-UONOGXRCSA-N 2 1 363.462 0.346 20 0 FCADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385922 1222874683 /nfs/dbraw/zinc/87/46/83/1222874683.db2.gz FRICPHRAAQZNLK-UONOGXRCSA-N 2 1 363.462 0.346 20 0 FCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378474 1222874707 /nfs/dbraw/zinc/87/47/07/1222874707.db2.gz ZQZCAUANZHXYEJ-CQSZACIVSA-N 2 1 365.478 0.723 20 0 FCADMP CCn1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)c2cc3c(cc21)OCO3 ZINC001152725834 1222957410 /nfs/dbraw/zinc/95/74/10/1222957410.db2.gz AAPOSXTYZPHKQG-UHFFFAOYSA-N 2 1 373.413 0.825 20 0 FCADMP COC(=O)c1cc2cnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)nc2n1C ZINC001155378379 1223033921 /nfs/dbraw/zinc/03/39/21/1223033921.db2.gz YGRMXXMJBIGFHG-AWEZNQCLSA-N 2 1 358.446 0.614 20 0 FCADMP COC(=O)c1nc2cnccc2c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155376787 1223033928 /nfs/dbraw/zinc/03/39/28/1223033928.db2.gz PDTAIZNBSGDUCE-ZDUSSCGKSA-N 2 1 356.430 0.671 20 0 FCADMP [NH3+]C1CCN(c2ccnc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)n2)CC1 ZINC001155489713 1223036889 /nfs/dbraw/zinc/03/68/89/1223036889.db2.gz YQBWYVJWJFBRCP-UHFFFAOYSA-N 2 1 370.461 0.066 20 0 FCADMP C1C[C@@]2(C[NH2+]1)C[C@H](Nc1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCO2 ZINC001155625720 1223040106 /nfs/dbraw/zinc/04/01/06/1223040106.db2.gz NASOMWWBYCTAMP-ACJLOTCBSA-N 2 1 360.462 0.239 20 0 FCADMP CC(=O)NC[C@@H]1CCCN(CC(O)C[N@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922502 1223060334 /nfs/dbraw/zinc/06/03/34/1223060334.db2.gz HDNDHKISMMJKPF-ROUUACIJSA-N 2 1 368.522 0.044 20 0 FCADMP CC(=O)NC[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922502 1223060339 /nfs/dbraw/zinc/06/03/39/1223060339.db2.gz HDNDHKISMMJKPF-ROUUACIJSA-N 2 1 368.522 0.044 20 0 FCADMP CC(=O)NC[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922502 1223060340 /nfs/dbraw/zinc/06/03/40/1223060340.db2.gz HDNDHKISMMJKPF-ROUUACIJSA-N 2 1 368.522 0.044 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001157083556 1223067610 /nfs/dbraw/zinc/06/76/10/1223067610.db2.gz VSYNRFATGJBZHF-IRXDYDNUSA-N 2 1 356.426 0.742 20 0 FCADMP C[NH+]1CCN(c2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)nn2)CC1 ZINC001158042949 1223087333 /nfs/dbraw/zinc/08/73/33/1223087333.db2.gz QXHLDRBLJKSHTL-UHFFFAOYSA-N 2 1 351.418 0.330 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380091 1223096005 /nfs/dbraw/zinc/09/60/05/1223096005.db2.gz LYYKKUCZQPAJSL-UKRRQHHQSA-N 2 1 364.494 0.412 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@H+]1C ZINC001158379566 1223096198 /nfs/dbraw/zinc/09/61/98/1223096198.db2.gz CLJMAHPGWKSRHB-HLLBOEOZSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)CC[N@@H+]1C ZINC001158379679 1223096315 /nfs/dbraw/zinc/09/63/15/1223096315.db2.gz FJUOZUKTHICFGD-QLFBSQMISA-N 2 1 365.478 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)CC[N@H+]1C ZINC001158379679 1223096317 /nfs/dbraw/zinc/09/63/17/1223096317.db2.gz FJUOZUKTHICFGD-QLFBSQMISA-N 2 1 365.478 0.900 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001158891177 1223111963 /nfs/dbraw/zinc/11/19/63/1223111963.db2.gz VLLREQSGNDRSBR-DQPZFDDXSA-N 2 1 366.506 0.068 20 0 FCADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001159124259 1223117694 /nfs/dbraw/zinc/11/76/94/1223117694.db2.gz NBOXDGZCSGUGSY-TXPKVOOTSA-N 2 1 368.522 0.437 20 0 FCADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001159124259 1223117696 /nfs/dbraw/zinc/11/76/96/1223117696.db2.gz NBOXDGZCSGUGSY-TXPKVOOTSA-N 2 1 368.522 0.437 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316382 1223124209 /nfs/dbraw/zinc/12/42/09/1223124209.db2.gz GKMWUJOPDDSOOO-JRBPQWBISA-N 2 1 373.501 0.210 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CNC1CC[NH2+]CC1)C2 ZINC001159470864 1223127843 /nfs/dbraw/zinc/12/78/43/1223127843.db2.gz BZUWZYDERCAKQO-YLJYHZDGSA-N 2 1 364.534 0.535 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001159470864 1223127844 /nfs/dbraw/zinc/12/78/44/1223127844.db2.gz BZUWZYDERCAKQO-YLJYHZDGSA-N 3 1 364.534 0.535 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001159470864 1223127846 /nfs/dbraw/zinc/12/78/46/1223127846.db2.gz BZUWZYDERCAKQO-YLJYHZDGSA-N 3 1 364.534 0.535 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@]1(C)CC[NH2+]C1)CCC2 ZINC001159493376 1223128685 /nfs/dbraw/zinc/12/86/85/1223128685.db2.gz MXWDZBZOEXBBPC-LJQANCHMSA-N 2 1 361.490 0.815 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C4CC[NH2+]CC4)C3)O2)CC1 ZINC001159758326 1223135509 /nfs/dbraw/zinc/13/55/09/1223135509.db2.gz NCWIIDYIPUFGFJ-UYAOXDASSA-N 2 1 364.534 0.774 20 0 FCADMP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160839953 1223176524 /nfs/dbraw/zinc/17/65/24/1223176524.db2.gz RUAZGCLACORHBS-HUUCEWRRSA-N 2 1 362.453 0.673 20 0 FCADMP [NH3+][C@H](C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1)C1CC[NH2+]CC1 ZINC001160839009 1223176950 /nfs/dbraw/zinc/17/69/50/1223176950.db2.gz MQIVGWMGHPFQRC-KRWDZBQOSA-N 3 1 373.505 0.052 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160854985 1223177284 /nfs/dbraw/zinc/17/72/84/1223177284.db2.gz JKUNELDVIFCDJM-KURKYZTESA-N 2 1 357.454 0.827 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160854985 1223177287 /nfs/dbraw/zinc/17/72/87/1223177287.db2.gz JKUNELDVIFCDJM-KURKYZTESA-N 2 1 357.454 0.827 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2COc3ccccc3O2)O1 ZINC001160850675 1223177458 /nfs/dbraw/zinc/17/74/58/1223177458.db2.gz FHKDNCKPTMDYFP-IIDMSEBBSA-N 2 1 363.458 0.641 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H]2COc3ccccc3O2)O1 ZINC001160850675 1223177462 /nfs/dbraw/zinc/17/74/62/1223177462.db2.gz FHKDNCKPTMDYFP-IIDMSEBBSA-N 2 1 363.458 0.641 20 0 FCADMP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857362 1223178268 /nfs/dbraw/zinc/17/82/68/1223178268.db2.gz GJWFJQPMTAFYFZ-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857362 1223178271 /nfs/dbraw/zinc/17/82/71/1223178271.db2.gz GJWFJQPMTAFYFZ-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCCCCC2)O1 ZINC001160856998 1223178351 /nfs/dbraw/zinc/17/83/51/1223178351.db2.gz BMLXLDJOLRVYEB-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCCCCC2)O1 ZINC001160856998 1223178353 /nfs/dbraw/zinc/17/83/53/1223178353.db2.gz BMLXLDJOLRVYEB-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cccc3c2OCCO3)O1 ZINC001160858010 1223178377 /nfs/dbraw/zinc/17/83/77/1223178377.db2.gz WGAKQPANNCOSTR-RHSMWYFYSA-N 2 1 363.458 0.773 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cccc3c2OCCO3)O1 ZINC001160858010 1223178379 /nfs/dbraw/zinc/17/83/79/1223178379.db2.gz WGAKQPANNCOSTR-RHSMWYFYSA-N 2 1 363.458 0.773 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001160857050 1223178388 /nfs/dbraw/zinc/17/83/88/1223178388.db2.gz CLYVQCPGLBQYIB-MGPQQGTHSA-N 2 1 367.450 0.125 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001160857050 1223178390 /nfs/dbraw/zinc/17/83/90/1223178390.db2.gz CLYVQCPGLBQYIB-MGPQQGTHSA-N 2 1 367.450 0.125 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958612 1223181754 /nfs/dbraw/zinc/18/17/54/1223181754.db2.gz BJNPBNXIXXPTBO-RZFFKMDDSA-N 2 1 358.446 0.211 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(NC3CCN(C(=O)[C@H]4CCCO4)CC3)n2)CC1 ZINC001161223445 1223189900 /nfs/dbraw/zinc/18/99/00/1223189900.db2.gz BVAZHKOWSSKNMM-MRXNPFEDSA-N 2 1 374.489 0.986 20 0 FCADMP C[NH+]1CCN(c2ccc(-n3ccncc3=N[C@H]3CC[C@H]([NH3+])CC3)nn2)CC1 ZINC001161294859 1223194182 /nfs/dbraw/zinc/19/41/82/1223194182.db2.gz YLAJKWVANHZZBX-WKILWMFISA-N 2 1 368.489 0.585 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)C[C@@H]1C ZINC001161459919 1223200391 /nfs/dbraw/zinc/20/03/91/1223200391.db2.gz ZQHIQDYEOSGWSN-SZMVWBNQSA-N 2 1 371.481 0.976 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)C[C@@H]1C ZINC001161459919 1223200395 /nfs/dbraw/zinc/20/03/95/1223200395.db2.gz ZQHIQDYEOSGWSN-SZMVWBNQSA-N 2 1 371.481 0.976 20 0 FCADMP COCCC1([NH3+])CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001162047129 1223210123 /nfs/dbraw/zinc/21/01/23/1223210123.db2.gz XWQIABXJZTUECK-UHFFFAOYSA-N 2 1 362.478 0.251 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185503 1223211421 /nfs/dbraw/zinc/21/14/21/1223211421.db2.gz RCESWQPCDMLYBQ-OAHLLOKOSA-N 2 1 364.490 0.543 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1cnc(C[NH3+])c1 ZINC001162296868 1223213507 /nfs/dbraw/zinc/21/35/07/1223213507.db2.gz OLWVEWWGWQAYJK-CYBMUJFWSA-N 2 1 361.446 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CC[NH2+]CCCO)CCc2ccccc2)O1 ZINC001162840935 1223220803 /nfs/dbraw/zinc/22/08/03/1223220803.db2.gz IVEVVDIDQLRKJW-IEBWSBKVSA-N 2 1 363.502 0.749 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CC[NH2+]CCCO)CCc2ccccc2)O1 ZINC001162840935 1223220807 /nfs/dbraw/zinc/22/08/07/1223220807.db2.gz IVEVVDIDQLRKJW-IEBWSBKVSA-N 2 1 363.502 0.749 20 0 FCADMP [NH3+]C1CCN(c2nc(NCc3cc(=O)n4c(n3)CNCCC4)cc[nH+]2)CC1 ZINC001163112203 1223226197 /nfs/dbraw/zinc/22/61/97/1223226197.db2.gz RRSRPWYUMPOFSO-UHFFFAOYSA-N 2 1 370.461 0.066 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2)CC1 ZINC001163160302 1223227618 /nfs/dbraw/zinc/22/76/18/1223227618.db2.gz SMKYBNXGXIDWHK-BRWVUGGUSA-N 2 1 359.474 0.506 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001164582396 1223240268 /nfs/dbraw/zinc/24/02/68/1223240268.db2.gz KOHRRTOVJRWUTD-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001165271478 1223244025 /nfs/dbraw/zinc/24/40/25/1223244025.db2.gz WQLHSKTVPIGXDL-GJZGRUSLSA-N 2 1 361.446 0.433 20 0 FCADMP [NH3+]C1CCN(c2cccc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)n2)CC1 ZINC001165342028 1223244874 /nfs/dbraw/zinc/24/48/74/1223244874.db2.gz SHKSLSUHOMRWHM-LJQANCHMSA-N 2 1 361.490 0.594 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCN3CCCC3=O)CC2)O1 ZINC001165729143 1223255180 /nfs/dbraw/zinc/25/51/80/1223255180.db2.gz ZVFMEVJJQPJNCT-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCN3CCCC3=O)CC2)O1 ZINC001165729143 1223255182 /nfs/dbraw/zinc/25/51/82/1223255182.db2.gz ZVFMEVJJQPJNCT-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728974 1223255451 /nfs/dbraw/zinc/25/54/51/1223255451.db2.gz XNRMYOKHMLYJFK-RHSMWYFYSA-N 2 1 363.506 0.824 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728974 1223255455 /nfs/dbraw/zinc/25/54/55/1223255455.db2.gz XNRMYOKHMLYJFK-RHSMWYFYSA-N 2 1 363.506 0.824 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001165727882 1223255573 /nfs/dbraw/zinc/25/55/73/1223255573.db2.gz JSOSVYOHCRFBPP-IIAWOOMASA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001165727882 1223255577 /nfs/dbraw/zinc/25/55/77/1223255577.db2.gz JSOSVYOHCRFBPP-IIAWOOMASA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001205167828 1223314248 /nfs/dbraw/zinc/31/42/48/1223314248.db2.gz WVWJEBVJBUOLRS-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205204368 1223317214 /nfs/dbraw/zinc/31/72/14/1223317214.db2.gz ZZDDSEPAQRPZPG-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001205393303 1223321436 /nfs/dbraw/zinc/32/14/36/1223321436.db2.gz AMQWNUGMRMMFDO-RCCFBDPRSA-N 2 1 365.449 0.687 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001205393303 1223321439 /nfs/dbraw/zinc/32/14/39/1223321439.db2.gz AMQWNUGMRMMFDO-RCCFBDPRSA-N 2 1 365.449 0.687 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205419414 1223322948 /nfs/dbraw/zinc/32/29/48/1223322948.db2.gz LJPNLLKBRMFRFP-JKSUJKDBSA-N 2 1 364.465 0.925 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205449328 1223323782 /nfs/dbraw/zinc/32/37/82/1223323782.db2.gz RMUQGUASYWBNIO-RRQGHBQHSA-N 2 1 364.465 0.925 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1OCCN1CCOCC1 ZINC001206469002 1223359479 /nfs/dbraw/zinc/35/94/79/1223359479.db2.gz NGZHKCQEJJXKGW-DLBZAZTESA-N 2 1 365.474 0.158 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1OCCN1CCOCC1 ZINC001206469002 1223359482 /nfs/dbraw/zinc/35/94/82/1223359482.db2.gz NGZHKCQEJJXKGW-DLBZAZTESA-N 2 1 365.474 0.158 20 0 FCADMP C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206619487 1223363303 /nfs/dbraw/zinc/36/33/03/1223363303.db2.gz CHMMVLMWSSFWSD-DJIMGWMZSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001206619487 1223363307 /nfs/dbraw/zinc/36/33/07/1223363307.db2.gz CHMMVLMWSSFWSD-DJIMGWMZSA-N 2 1 362.474 0.769 20 0 FCADMP Cc1ncc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1C ZINC001206793673 1223370953 /nfs/dbraw/zinc/37/09/53/1223370953.db2.gz XWWLPTWSDBNYMT-UHFFFAOYSA-N 2 1 363.506 0.731 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979430 1223401485 /nfs/dbraw/zinc/40/14/85/1223401485.db2.gz WIQMLCPUJMOHGL-FHLIZLRMSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979430 1223401488 /nfs/dbraw/zinc/40/14/88/1223401488.db2.gz WIQMLCPUJMOHGL-FHLIZLRMSA-N 2 1 362.518 0.633 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001207396956 1223443270 /nfs/dbraw/zinc/44/32/70/1223443270.db2.gz AYGCQYBCBGHICE-IBGZPJMESA-N 2 1 361.490 0.726 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001207397123 1223443719 /nfs/dbraw/zinc/44/37/19/1223443719.db2.gz CXMZLMHEVSLUDU-UHFFFAOYSA-N 3 1 366.550 0.831 20 0 FCADMP CN(C)C(=O)CN1CCOCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001207397123 1223443722 /nfs/dbraw/zinc/44/37/22/1223443722.db2.gz CXMZLMHEVSLUDU-UHFFFAOYSA-N 2 1 366.550 0.831 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001207396426 1223443799 /nfs/dbraw/zinc/44/37/99/1223443799.db2.gz IELZQRGCLRGZIL-SQNIBIBYSA-N 2 1 359.474 0.780 20 0 FCADMP c1cncc(CN2CCOC[C@]3(C[N@@H+](CC4CC[NH2+]CC4)CCO3)C2)c1 ZINC001207437107 1223447153 /nfs/dbraw/zinc/44/71/53/1223447153.db2.gz OKTRMMDJJHHJIH-HXUWFJFHSA-N 2 1 360.502 0.984 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538650 1223453552 /nfs/dbraw/zinc/45/35/52/1223453552.db2.gz RYQBAQIMUSOMKO-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538650 1223453553 /nfs/dbraw/zinc/45/35/53/1223453553.db2.gz RYQBAQIMUSOMKO-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538650 1223453555 /nfs/dbraw/zinc/45/35/55/1223453555.db2.gz RYQBAQIMUSOMKO-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538650 1223453556 /nfs/dbraw/zinc/45/35/56/1223453556.db2.gz RYQBAQIMUSOMKO-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547034 1223454593 /nfs/dbraw/zinc/45/45/93/1223454593.db2.gz ITAPKNWUGZIALB-KBAYOESNSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547034 1223454594 /nfs/dbraw/zinc/45/45/94/1223454594.db2.gz ITAPKNWUGZIALB-KBAYOESNSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547390 1223455214 /nfs/dbraw/zinc/45/52/14/1223455214.db2.gz UZCJLGRPMBPENN-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547390 1223455216 /nfs/dbraw/zinc/45/52/16/1223455216.db2.gz UZCJLGRPMBPENN-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616860 1223461307 /nfs/dbraw/zinc/46/13/07/1223461307.db2.gz HOWVPJRNZMOIKT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616860 1223461308 /nfs/dbraw/zinc/46/13/08/1223461308.db2.gz HOWVPJRNZMOIKT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207616860 1223461313 /nfs/dbraw/zinc/46/13/13/1223461313.db2.gz HOWVPJRNZMOIKT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207616860 1223461317 /nfs/dbraw/zinc/46/13/17/1223461317.db2.gz HOWVPJRNZMOIKT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C)[NH+](C)C ZINC001207698316 1223471643 /nfs/dbraw/zinc/47/16/43/1223471643.db2.gz YFRUUVNOLZPQHD-BPLDGKMQSA-N 2 1 360.462 0.299 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C)[NH+](C)C ZINC001207698316 1223471647 /nfs/dbraw/zinc/47/16/47/1223471647.db2.gz YFRUUVNOLZPQHD-BPLDGKMQSA-N 2 1 360.462 0.299 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448266 1223546280 /nfs/dbraw/zinc/54/62/80/1223546280.db2.gz ZBBWURZGXRCLTE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448266 1223546283 /nfs/dbraw/zinc/54/62/83/1223546283.db2.gz ZBBWURZGXRCLTE-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441916 1223546438 /nfs/dbraw/zinc/54/64/38/1223546438.db2.gz WDIACSXAKDIKOG-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448277 1223546487 /nfs/dbraw/zinc/54/64/87/1223546487.db2.gz ZVIRYBVXQRWQHQ-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208563211 1223556662 /nfs/dbraw/zinc/55/66/62/1223556662.db2.gz GYUOHBFJYDMKEH-OAGGEKHMSA-N 2 1 366.506 0.692 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612403 1223563360 /nfs/dbraw/zinc/56/33/60/1223563360.db2.gz HPRWLRUPNXQGOQ-SQGPQFPESA-N 2 1 372.517 0.835 20 0 FCADMP CNC(=O)[C@]12C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612403 1223563366 /nfs/dbraw/zinc/56/33/66/1223563366.db2.gz HPRWLRUPNXQGOQ-SQGPQFPESA-N 2 1 372.517 0.835 20 0 FCADMP CNC(=O)[C@]12C[NH+](C[C@H]3CCC[N@@H+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612403 1223563370 /nfs/dbraw/zinc/56/33/70/1223563370.db2.gz HPRWLRUPNXQGOQ-SQGPQFPESA-N 2 1 372.517 0.835 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C1 ZINC001208615456 1223563401 /nfs/dbraw/zinc/56/34/01/1223563401.db2.gz XIDFPEHSSSQBCW-GGPKGHCWSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C1 ZINC001208615456 1223563405 /nfs/dbraw/zinc/56/34/05/1223563405.db2.gz XIDFPEHSSSQBCW-GGPKGHCWSA-N 2 1 365.518 0.916 20 0 FCADMP COC(=O)[C@@H](C)C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208713749 1223572031 /nfs/dbraw/zinc/57/20/31/1223572031.db2.gz GZFSWOQWQYZDKK-HNNXBMFYSA-N 2 1 365.478 0.905 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208713749 1223572036 /nfs/dbraw/zinc/57/20/36/1223572036.db2.gz GZFSWOQWQYZDKK-HNNXBMFYSA-N 2 1 365.478 0.905 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738571 1223573744 /nfs/dbraw/zinc/57/37/44/1223573744.db2.gz FKIVNFCQWMJLAD-KZNAEPCWSA-N 2 1 371.522 0.587 20 0 FCADMP CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001208754776 1223575496 /nfs/dbraw/zinc/57/54/96/1223575496.db2.gz OFJTWAYMRAXTRM-OQIJWPOYSA-N 2 1 372.513 0.904 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001208754776 1223575500 /nfs/dbraw/zinc/57/55/00/1223575500.db2.gz OFJTWAYMRAXTRM-OQIJWPOYSA-N 2 1 372.513 0.904 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001208754776 1223575505 /nfs/dbraw/zinc/57/55/05/1223575505.db2.gz OFJTWAYMRAXTRM-OQIJWPOYSA-N 2 1 372.513 0.904 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001208754776 1223575507 /nfs/dbraw/zinc/57/55/07/1223575507.db2.gz OFJTWAYMRAXTRM-OQIJWPOYSA-N 2 1 372.513 0.904 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001208754776 1223575509 /nfs/dbraw/zinc/57/55/09/1223575509.db2.gz OFJTWAYMRAXTRM-OQIJWPOYSA-N 2 1 372.513 0.904 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CCN(CCN3CCOCC3)C2=O)CC1 ZINC001276608365 1223591876 /nfs/dbraw/zinc/59/18/76/1223591876.db2.gz CVNQTIIQAAZBLX-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@@H+](C[C@@H]3COC(C)(C)O3)C2)OCC1=O ZINC001276617884 1223599860 /nfs/dbraw/zinc/59/98/60/1223599860.db2.gz MXZTZAFCASRWPX-QAPCUYQASA-N 2 1 364.446 0.375 20 0 FCADMP Cc1cccc(CO[C@H]2C[C@@H]3CN(CCN4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289501 1223608297 /nfs/dbraw/zinc/60/82/97/1223608297.db2.gz DKUFSPBFDBKHBE-UXHICEINSA-N 2 1 360.502 0.997 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001209347255 1223612307 /nfs/dbraw/zinc/61/23/07/1223612307.db2.gz RYZUEXDENDGFEB-UONOGXRCSA-N 2 1 362.474 0.248 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209347255 1223612311 /nfs/dbraw/zinc/61/23/11/1223612311.db2.gz RYZUEXDENDGFEB-UONOGXRCSA-N 2 1 362.474 0.248 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001209478462 1223623835 /nfs/dbraw/zinc/62/38/35/1223623835.db2.gz UZMFSBHJULHIHS-RHSMWYFYSA-N 2 1 361.490 0.934 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001209837387 1223652868 /nfs/dbraw/zinc/65/28/68/1223652868.db2.gz XNUCLWIFSQUCIR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001209837387 1223652873 /nfs/dbraw/zinc/65/28/73/1223652873.db2.gz XNUCLWIFSQUCIR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315439 1223682419 /nfs/dbraw/zinc/68/24/19/1223682419.db2.gz PHXDKTLHCCKUMO-NZSAHSFTSA-N 2 1 363.502 0.605 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001211045927 1223721554 /nfs/dbraw/zinc/72/15/54/1223721554.db2.gz FENFEDFRPRQCLI-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276693907 1223723612 /nfs/dbraw/zinc/72/36/12/1223723612.db2.gz OUMQNBBOJVPQKE-QAPCUYQASA-N 2 1 362.430 0.177 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094772 1223725745 /nfs/dbraw/zinc/72/57/45/1223725745.db2.gz PZTPXRXJWKPSNA-IAGOWNOFSA-N 2 1 365.522 0.714 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309607 1223734536 /nfs/dbraw/zinc/73/45/36/1223734536.db2.gz GZCOTOWHIZBKBB-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309607 1223734539 /nfs/dbraw/zinc/73/45/39/1223734539.db2.gz GZCOTOWHIZBKBB-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367622 1223738215 /nfs/dbraw/zinc/73/82/15/1223738215.db2.gz XXSCKSKUXHIWEA-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367622 1223738217 /nfs/dbraw/zinc/73/82/17/1223738217.db2.gz XXSCKSKUXHIWEA-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367622 1223738219 /nfs/dbraw/zinc/73/82/19/1223738219.db2.gz XXSCKSKUXHIWEA-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367622 1223738220 /nfs/dbraw/zinc/73/82/20/1223738220.db2.gz XXSCKSKUXHIWEA-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167775 1223762128 /nfs/dbraw/zinc/76/21/28/1223762128.db2.gz KBGTVILGMOABEB-BRWVUGGUSA-N 2 1 368.478 0.040 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167775 1223762131 /nfs/dbraw/zinc/76/21/31/1223762131.db2.gz KBGTVILGMOABEB-BRWVUGGUSA-N 2 1 368.478 0.040 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191736 1223765126 /nfs/dbraw/zinc/76/51/26/1223765126.db2.gz FMJCRTLYDUVPPX-RVKOJVRFSA-N 2 1 367.490 0.092 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191736 1223765129 /nfs/dbraw/zinc/76/51/29/1223765129.db2.gz FMJCRTLYDUVPPX-RVKOJVRFSA-N 2 1 367.490 0.092 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191736 1223765133 /nfs/dbraw/zinc/76/51/33/1223765133.db2.gz FMJCRTLYDUVPPX-RVKOJVRFSA-N 2 1 367.490 0.092 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342241 1223788316 /nfs/dbraw/zinc/78/83/16/1223788316.db2.gz NMVKXQDODBBHPM-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342241 1223788319 /nfs/dbraw/zinc/78/83/19/1223788319.db2.gz NMVKXQDODBBHPM-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378390 1223792243 /nfs/dbraw/zinc/79/22/43/1223792243.db2.gz OVLZGVYGXCARRK-KZNAEPCWSA-N 2 1 367.465 0.496 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526651 1223809673 /nfs/dbraw/zinc/80/96/73/1223809673.db2.gz SPBRFXXIKZJOSQ-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526651 1223809675 /nfs/dbraw/zinc/80/96/75/1223809675.db2.gz SPBRFXXIKZJOSQ-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526651 1223809678 /nfs/dbraw/zinc/80/96/78/1223809678.db2.gz SPBRFXXIKZJOSQ-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526651 1223809679 /nfs/dbraw/zinc/80/96/79/1223809679.db2.gz SPBRFXXIKZJOSQ-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001213555605 1223813129 /nfs/dbraw/zinc/81/31/29/1223813129.db2.gz WLIXXNCADIPZMY-DJIMGWMZSA-N 2 1 367.494 0.035 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580720 1223817680 /nfs/dbraw/zinc/81/76/80/1223817680.db2.gz HCUHCUIBFPCATP-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580720 1223817683 /nfs/dbraw/zinc/81/76/83/1223817683.db2.gz HCUHCUIBFPCATP-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581045 1223817692 /nfs/dbraw/zinc/81/76/92/1223817692.db2.gz NPMZGUQEDXGSQX-RCCFBDPRSA-N 2 1 369.506 0.483 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581045 1223817693 /nfs/dbraw/zinc/81/76/93/1223817693.db2.gz NPMZGUQEDXGSQX-RCCFBDPRSA-N 2 1 369.506 0.483 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213594913 1223820002 /nfs/dbraw/zinc/82/00/02/1223820002.db2.gz SQRZWWZYYOCGRA-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213594913 1223820005 /nfs/dbraw/zinc/82/00/05/1223820005.db2.gz SQRZWWZYYOCGRA-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213625358 1223824788 /nfs/dbraw/zinc/82/47/88/1223824788.db2.gz XDEXUGJWFNXPNX-IAGOWNOFSA-N 2 1 359.430 0.733 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213625358 1223824789 /nfs/dbraw/zinc/82/47/89/1223824789.db2.gz XDEXUGJWFNXPNX-IAGOWNOFSA-N 2 1 359.430 0.733 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638395 1223826049 /nfs/dbraw/zinc/82/60/49/1223826049.db2.gz MLRHPOFBCSGNKE-QZTJIDSGSA-N 2 1 369.506 0.482 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921559 1223872922 /nfs/dbraw/zinc/87/29/22/1223872922.db2.gz DQGRLWBSWCXCLJ-CGTJXYLNSA-N 2 1 365.474 0.185 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001214389121 1223906536 /nfs/dbraw/zinc/90/65/36/1223906536.db2.gz PPQGODJSOLXNBD-OLMNPRSZSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001214389121 1223906538 /nfs/dbraw/zinc/90/65/38/1223906538.db2.gz PPQGODJSOLXNBD-OLMNPRSZSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cc5n(n4)CCC5)C[C@H]32)CC[N@H+]1C ZINC000978172653 1248715795 /nfs/dbraw/zinc/71/57/95/1248715795.db2.gz UXNYCISVSKRQDU-PYJZQUQOSA-N 2 1 357.502 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214855909 1223948543 /nfs/dbraw/zinc/94/85/43/1223948543.db2.gz RGTASDDHBRSKLP-BMFZPTHFSA-N 2 1 359.474 0.723 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889130 1223952067 /nfs/dbraw/zinc/95/20/67/1223952067.db2.gz IDNZCLYKRAVBQI-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cc5n(n4)CCC5)C[C@H]32)CC[N@@H+]1C ZINC000978172653 1248715804 /nfs/dbraw/zinc/71/58/04/1248715804.db2.gz UXNYCISVSKRQDU-PYJZQUQOSA-N 2 1 357.502 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cc5n(n4)CCC5)C[C@H]32)CC[N@H+]1C ZINC000978172653 1248715811 /nfs/dbraw/zinc/71/58/11/1248715811.db2.gz UXNYCISVSKRQDU-PYJZQUQOSA-N 2 1 357.502 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cc5n(n4)CCC5)C[C@H]32)CC[NH+]1C ZINC000978172653 1248715815 /nfs/dbraw/zinc/71/58/15/1248715815.db2.gz UXNYCISVSKRQDU-PYJZQUQOSA-N 2 1 357.502 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cc5n(n4)CCC5)C[C@H]32)CC[NH+]1C ZINC000978172653 1248715819 /nfs/dbraw/zinc/71/58/19/1248715819.db2.gz UXNYCISVSKRQDU-PYJZQUQOSA-N 2 1 357.502 0.964 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978175652 1248716523 /nfs/dbraw/zinc/71/65/23/1248716523.db2.gz FJJRKIAUPQBODY-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978175652 1248716530 /nfs/dbraw/zinc/71/65/30/1248716530.db2.gz FJJRKIAUPQBODY-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978175652 1248716532 /nfs/dbraw/zinc/71/65/32/1248716532.db2.gz FJJRKIAUPQBODY-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397408 1223996437 /nfs/dbraw/zinc/99/64/37/1223996437.db2.gz YXEHYEHMTUDENC-LTIDMASMSA-N 2 1 367.538 0.861 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001215415671 1223998515 /nfs/dbraw/zinc/99/85/15/1223998515.db2.gz GRLAMYGEQQDLMM-UMVBOHGHSA-N 2 1 361.494 0.847 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567944 1224006664 /nfs/dbraw/zinc/00/66/64/1224006664.db2.gz IDNZGDMPNXNFLP-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+]1CCCC1 ZINC001215598563 1224008123 /nfs/dbraw/zinc/00/81/23/1224008123.db2.gz DDVBGORHEYVLSF-BFYDXBDKSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001215934042 1224025292 /nfs/dbraw/zinc/02/52/92/1224025292.db2.gz DHEGPVLNZMZLSZ-SJLPKXTDSA-N 2 1 363.506 0.859 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215939189 1224025648 /nfs/dbraw/zinc/02/56/48/1224025648.db2.gz YEENZZFTYPSYKI-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216382918 1224047743 /nfs/dbraw/zinc/04/77/43/1224047743.db2.gz FCERBXWJGYSQGW-QLFBSQMISA-N 2 1 360.462 0.193 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccccc2)C1 ZINC001216755999 1224069058 /nfs/dbraw/zinc/06/90/58/1224069058.db2.gz NUJLAOKAPMKWPX-CRAIPNDOSA-N 2 1 369.469 0.944 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757562 1224069096 /nfs/dbraw/zinc/06/90/96/1224069096.db2.gz CVOVNYCDHVXKNL-IJEWVQPXSA-N 2 1 365.478 0.169 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216755909 1224069102 /nfs/dbraw/zinc/06/91/02/1224069102.db2.gz JTVTUYVFUGYUSQ-UKRRQHHQSA-N 2 1 364.494 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC000985440897 1248922752 /nfs/dbraw/zinc/92/27/52/1248922752.db2.gz RVVIPHCJRAHYJY-VNQPRFMTSA-N 2 1 363.510 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC000985440897 1248922761 /nfs/dbraw/zinc/92/27/61/1248922761.db2.gz RVVIPHCJRAHYJY-VNQPRFMTSA-N 2 1 363.510 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@H](C)c3nnnn3C)CC2)CC[NH+]1C ZINC000985440897 1248922770 /nfs/dbraw/zinc/92/27/70/1248922770.db2.gz RVVIPHCJRAHYJY-VNQPRFMTSA-N 2 1 363.510 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@H](C)c3nnnn3C)CC2)CC[NH+]1C ZINC000985440897 1248922783 /nfs/dbraw/zinc/92/27/83/1248922783.db2.gz RVVIPHCJRAHYJY-VNQPRFMTSA-N 2 1 363.510 0.924 20 0 FCADMP Cc1ncc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985495973 1248947278 /nfs/dbraw/zinc/94/72/78/1248947278.db2.gz LRPWYMFCVIXYGV-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1ncc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985495973 1248947295 /nfs/dbraw/zinc/94/72/95/1248947295.db2.gz LRPWYMFCVIXYGV-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1ncc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985495973 1248947312 /nfs/dbraw/zinc/94/73/12/1248947312.db2.gz LRPWYMFCVIXYGV-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1ncc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985495973 1248947322 /nfs/dbraw/zinc/94/73/22/1248947322.db2.gz LRPWYMFCVIXYGV-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988098055 1249343491 /nfs/dbraw/zinc/34/34/91/1249343491.db2.gz PTELGLXFUOLCBC-NFAWXSAZSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988098055 1249343502 /nfs/dbraw/zinc/34/35/02/1249343502.db2.gz PTELGLXFUOLCBC-NFAWXSAZSA-N 2 1 363.462 0.407 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214277 1249383960 /nfs/dbraw/zinc/38/39/60/1249383960.db2.gz MTILKFPUWMBVFI-PFRQMTDMSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000993950583 1250097883 /nfs/dbraw/zinc/09/78/83/1250097883.db2.gz HOIJWJKUJIMWMP-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000993950583 1250097897 /nfs/dbraw/zinc/09/78/97/1250097897.db2.gz HOIJWJKUJIMWMP-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993959485 1250107293 /nfs/dbraw/zinc/10/72/93/1250107293.db2.gz PCOIYTXBZWMNBD-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000993959485 1250107296 /nfs/dbraw/zinc/10/72/96/1250107296.db2.gz PCOIYTXBZWMNBD-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000993959485 1250107303 /nfs/dbraw/zinc/10/73/03/1250107303.db2.gz PCOIYTXBZWMNBD-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000993959485 1250107308 /nfs/dbraw/zinc/10/73/08/1250107308.db2.gz PCOIYTXBZWMNBD-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CN1C(=O)c2ccc(NC(=O)CN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)cc2C1=O ZINC000823806393 1245321675 /nfs/dbraw/zinc/32/16/75/1245321675.db2.gz WOOSKLRRWJVJLQ-QWHCGFSZSA-N 2 1 356.426 0.734 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000827240204 1245323194 /nfs/dbraw/zinc/32/31/94/1245323194.db2.gz IHEQXQPROIWGSR-QGZVFWFLSA-N 2 1 359.474 0.635 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891536653 1245453564 /nfs/dbraw/zinc/45/35/64/1245453564.db2.gz FHRUIBHBEQYACE-LJQANCHMSA-N 2 1 367.538 0.946 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891570001 1245455370 /nfs/dbraw/zinc/45/53/70/1245455370.db2.gz VRHMZVRXFIWLFT-FUHIMQAGSA-N 2 1 372.517 0.843 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911516490 1245504685 /nfs/dbraw/zinc/50/46/85/1245504685.db2.gz KOQNMAWJNQLFFQ-ZTFGCOKTSA-N 2 1 358.486 0.821 20 0 FCADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000921685671 1245647319 /nfs/dbraw/zinc/64/73/19/1245647319.db2.gz XLHNAOIFWBZVQG-HNNXBMFYSA-N 2 1 363.458 0.881 20 0 FCADMP O=C([C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280650 1245703592 /nfs/dbraw/zinc/70/35/92/1245703592.db2.gz CDIJOBRVXAKBRO-DOTOQJQBSA-N 2 1 365.449 0.709 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280653 1245703623 /nfs/dbraw/zinc/70/36/23/1245703623.db2.gz CDIJOBRVXAKBRO-NVXWUHKLSA-N 2 1 365.449 0.709 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000923328068 1245708163 /nfs/dbraw/zinc/70/81/63/1245708163.db2.gz JNMAZPHEIUVDRE-XLAORIBOSA-N 2 1 369.506 0.123 20 0 FCADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325226 1245708759 /nfs/dbraw/zinc/70/87/59/1245708759.db2.gz BJGIUHFPOOSNEZ-CABCVRRESA-N 2 1 365.478 0.663 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000923328069 1245708943 /nfs/dbraw/zinc/70/89/43/1245708943.db2.gz JNMAZPHEIUVDRE-XSLAGTTESA-N 2 1 369.506 0.123 20 0 FCADMP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923323558 1245709554 /nfs/dbraw/zinc/70/95/54/1245709554.db2.gz JDMGOIBKOFRTOG-FGTMMUONSA-N 2 1 364.534 0.677 20 0 FCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000923326808 1245709654 /nfs/dbraw/zinc/70/96/54/1245709654.db2.gz LEVVTWIYDOOTDM-VJANTYMQSA-N 2 1 359.518 0.766 20 0 FCADMP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000923326808 1245709660 /nfs/dbraw/zinc/70/96/60/1245709660.db2.gz LEVVTWIYDOOTDM-VJANTYMQSA-N 2 1 359.518 0.766 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000938182854 1245832044 /nfs/dbraw/zinc/83/20/44/1245832044.db2.gz SGPNXVJPIJVWCD-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000938182854 1245832052 /nfs/dbraw/zinc/83/20/52/1245832052.db2.gz SGPNXVJPIJVWCD-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000938184002 1245834395 /nfs/dbraw/zinc/83/43/95/1245834395.db2.gz SDNLJXKNFXFSDP-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000938184002 1245834403 /nfs/dbraw/zinc/83/44/03/1245834403.db2.gz SDNLJXKNFXFSDP-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000938184002 1245834412 /nfs/dbraw/zinc/83/44/12/1245834412.db2.gz SDNLJXKNFXFSDP-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000938184002 1245834420 /nfs/dbraw/zinc/83/44/20/1245834420.db2.gz SDNLJXKNFXFSDP-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000939304920 1246031909 /nfs/dbraw/zinc/03/19/09/1246031909.db2.gz XGWAIEFNHYSFLG-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000939304920 1246031914 /nfs/dbraw/zinc/03/19/14/1246031914.db2.gz XGWAIEFNHYSFLG-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000940286981 1246262181 /nfs/dbraw/zinc/26/21/81/1246262181.db2.gz CAQWCYKPRWVFMY-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940286981 1246262188 /nfs/dbraw/zinc/26/21/88/1246262188.db2.gz CAQWCYKPRWVFMY-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000941276395 1246538765 /nfs/dbraw/zinc/53/87/65/1246538765.db2.gz SDNLJXKNFXFSDP-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000941276395 1246538768 /nfs/dbraw/zinc/53/87/68/1246538768.db2.gz SDNLJXKNFXFSDP-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000941276395 1246538775 /nfs/dbraw/zinc/53/87/75/1246538775.db2.gz SDNLJXKNFXFSDP-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000941276395 1246538782 /nfs/dbraw/zinc/53/87/82/1246538782.db2.gz SDNLJXKNFXFSDP-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000941353383 1246571860 /nfs/dbraw/zinc/57/18/60/1246571860.db2.gz SCCHBJCNHQNHBX-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000941353383 1246571864 /nfs/dbraw/zinc/57/18/64/1246571864.db2.gz SCCHBJCNHQNHBX-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000942596032 1247154489 /nfs/dbraw/zinc/15/44/89/1247154489.db2.gz PZRZSOYCBFCUIF-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000943338409 1247302102 /nfs/dbraw/zinc/30/21/02/1247302102.db2.gz KJLZJEFCSGIJEW-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000943338409 1247302113 /nfs/dbraw/zinc/30/21/13/1247302113.db2.gz KJLZJEFCSGIJEW-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943592395 1247365731 /nfs/dbraw/zinc/36/57/31/1247365731.db2.gz ZWWDEGFZHNWRMH-FVQBIDKESA-N 2 1 363.462 0.026 20 0 FCADMP CO[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943592395 1247365743 /nfs/dbraw/zinc/36/57/43/1247365743.db2.gz ZWWDEGFZHNWRMH-FVQBIDKESA-N 2 1 363.462 0.026 20 0 FCADMP CO[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943592395 1247365754 /nfs/dbraw/zinc/36/57/54/1247365754.db2.gz ZWWDEGFZHNWRMH-FVQBIDKESA-N 2 1 363.462 0.026 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396019 1247548071 /nfs/dbraw/zinc/54/80/71/1247548071.db2.gz DZYJPZGQEFAMPJ-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000944654160 1247600322 /nfs/dbraw/zinc/60/03/22/1247600322.db2.gz NVDIAOQXHVLVKK-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]3CC2)CC[N@H+]1C ZINC000946595159 1247907421 /nfs/dbraw/zinc/90/74/21/1247907421.db2.gz LKRCXWRDJMNFTC-XLMAVXFVSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]3CC2)CC[NH+]1C ZINC000946595159 1247907425 /nfs/dbraw/zinc/90/74/25/1247907425.db2.gz LKRCXWRDJMNFTC-XLMAVXFVSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]3CC2)CC[NH+]1C ZINC000946595159 1247907426 /nfs/dbraw/zinc/90/74/26/1247907426.db2.gz LKRCXWRDJMNFTC-XLMAVXFVSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]3CC2)CC[N@H+]1C ZINC000946595350 1247907533 /nfs/dbraw/zinc/90/75/33/1247907533.db2.gz UXWGPBGDFBWDJX-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]3CC2)CC[NH+]1C ZINC000946595350 1247907540 /nfs/dbraw/zinc/90/75/40/1247907540.db2.gz UXWGPBGDFBWDJX-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]3CC2)CC[NH+]1C ZINC000946595350 1247907549 /nfs/dbraw/zinc/90/75/49/1247907549.db2.gz UXWGPBGDFBWDJX-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@H+]1C ZINC000976606306 1248288284 /nfs/dbraw/zinc/28/82/84/1248288284.db2.gz CMSXNDOCRAQFBU-FIDHJVLJSA-N 2 1 360.502 0.386 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)CC[N@@H+]1C ZINC000976607446 1248288559 /nfs/dbraw/zinc/28/85/59/1248288559.db2.gz GPMBNJUPIVIPON-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)CC[N@H+]1C ZINC000976607446 1248288564 /nfs/dbraw/zinc/28/85/64/1248288564.db2.gz GPMBNJUPIVIPON-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]32)CC[N@H+]1C ZINC000976608741 1248290701 /nfs/dbraw/zinc/29/07/01/1248290701.db2.gz LUPAIKIUESGKDO-MBEHMYBOSA-N 2 1 362.518 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)CC[NH+]1C ZINC000976608741 1248290708 /nfs/dbraw/zinc/29/07/08/1248290708.db2.gz LUPAIKIUESGKDO-MBEHMYBOSA-N 2 1 362.518 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]32)CC[NH+]1C ZINC000976608741 1248290720 /nfs/dbraw/zinc/29/07/20/1248290720.db2.gz LUPAIKIUESGKDO-MBEHMYBOSA-N 2 1 362.518 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC[C@@H]4C)C[C@H]32)CC[N@H+]1C ZINC000976611824 1248293334 /nfs/dbraw/zinc/29/33/34/1248293334.db2.gz UWDKXMMXHZPURI-SQZHQNNWSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CCC[C@@H]4C)C[C@H]32)CC[NH+]1C ZINC000976611824 1248293348 /nfs/dbraw/zinc/29/33/48/1248293348.db2.gz UWDKXMMXHZPURI-SQZHQNNWSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CCC[C@@H]4C)C[C@H]32)CC[NH+]1C ZINC000976611824 1248293355 /nfs/dbraw/zinc/29/33/55/1248293355.db2.gz UWDKXMMXHZPURI-SQZHQNNWSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000976793726 1248403991 /nfs/dbraw/zinc/40/39/91/1248403991.db2.gz PALDJBOGOCXQME-DWMDIXPDSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000976793726 1248404002 /nfs/dbraw/zinc/40/40/02/1248404002.db2.gz PALDJBOGOCXQME-DWMDIXPDSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000976793726 1248404010 /nfs/dbraw/zinc/40/40/10/1248404010.db2.gz PALDJBOGOCXQME-DWMDIXPDSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1C ZINC000976872327 1248438642 /nfs/dbraw/zinc/43/86/42/1248438642.db2.gz CTFGLYXMYOKTSS-PDFKHUOFSA-N 2 1 371.485 0.674 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000976972232 1248499688 /nfs/dbraw/zinc/49/96/88/1248499688.db2.gz CGIBYYHWUBKMAN-HZPDHXFCSA-N 2 1 359.474 0.831 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000995013677 1250722153 /nfs/dbraw/zinc/72/21/53/1250722153.db2.gz TZAYPNFJLWQPOI-GOEBONIOSA-N 2 1 363.462 0.407 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000995013677 1250722169 /nfs/dbraw/zinc/72/21/69/1250722169.db2.gz TZAYPNFJLWQPOI-GOEBONIOSA-N 2 1 363.462 0.407 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995955118 1251089224 /nfs/dbraw/zinc/08/92/24/1251089224.db2.gz CSEKBEOGFOUJPZ-XYPHTWIQSA-N 2 1 363.506 0.774 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995955118 1251089237 /nfs/dbraw/zinc/08/92/37/1251089237.db2.gz CSEKBEOGFOUJPZ-XYPHTWIQSA-N 2 1 363.506 0.774 20 0 FCADMP CCn1ncc(CN[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)n1 ZINC000995957661 1251091289 /nfs/dbraw/zinc/09/12/89/1251091289.db2.gz KTAOXEOBXGUUPK-FVQBIDKESA-N 2 1 364.494 0.344 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1 ZINC001516584488 1265557686 /nfs/dbraw/zinc/55/76/86/1265557686.db2.gz VXNZUONXEVDMMX-HNNXBMFYSA-N 2 1 361.446 0.336 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335285 1251319928 /nfs/dbraw/zinc/31/99/28/1251319928.db2.gz XBZOSCGKUWMIMW-IKGGRYGDSA-N 2 1 358.486 0.644 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000996540511 1251375612 /nfs/dbraw/zinc/37/56/12/1251375612.db2.gz ZDVJWVCYBFDRRZ-KPEUIFRASA-N 2 1 371.485 0.961 20 0 FCADMP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC000996543395 1251377359 /nfs/dbraw/zinc/37/73/59/1251377359.db2.gz DGMROEBKZWZCEM-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000996572220 1251391007 /nfs/dbraw/zinc/39/10/07/1251391007.db2.gz LCTKORIGFUWOOK-OWSLCNJRSA-N 2 1 371.485 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC000996577942 1251395185 /nfs/dbraw/zinc/39/51/85/1251395185.db2.gz JXXSYYUVPICACT-IKGGRYGDSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC000996577942 1251395191 /nfs/dbraw/zinc/39/51/91/1251395191.db2.gz JXXSYYUVPICACT-IKGGRYGDSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC000996720382 1251424900 /nfs/dbraw/zinc/42/49/00/1251424900.db2.gz SUSDPMAXUZGALE-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC000996720382 1251424902 /nfs/dbraw/zinc/42/49/02/1251424902.db2.gz SUSDPMAXUZGALE-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996718655 1251425150 /nfs/dbraw/zinc/42/51/50/1251425150.db2.gz PUCTXYLHCJDIIR-CXAGYDPISA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996718655 1251425154 /nfs/dbraw/zinc/42/51/54/1251425154.db2.gz PUCTXYLHCJDIIR-CXAGYDPISA-N 2 1 364.494 0.195 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cncn2)CC1 ZINC000997178396 1251504072 /nfs/dbraw/zinc/50/40/72/1251504072.db2.gz VGTWMWDNKDFHHO-BFYDXBDKSA-N 2 1 364.494 0.214 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cncn2)CC1 ZINC000997178396 1251504080 /nfs/dbraw/zinc/50/40/80/1251504080.db2.gz VGTWMWDNKDFHHO-BFYDXBDKSA-N 2 1 364.494 0.214 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997639039 1251649688 /nfs/dbraw/zinc/64/96/88/1251649688.db2.gz MCKKZRIXTCOQNK-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997639039 1251649705 /nfs/dbraw/zinc/64/97/05/1251649705.db2.gz MCKKZRIXTCOQNK-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP COCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997785947 1251706054 /nfs/dbraw/zinc/70/60/54/1251706054.db2.gz OEEUQRBJTLXCIL-UKRRQHHQSA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997785947 1251706070 /nfs/dbraw/zinc/70/60/70/1251706070.db2.gz OEEUQRBJTLXCIL-UKRRQHHQSA-N 2 1 365.478 0.884 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC000998624176 1251929215 /nfs/dbraw/zinc/92/92/15/1251929215.db2.gz HKTDDRGPKKRYAM-NCOADZHNSA-N 2 1 360.502 0.672 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998649340 1251941499 /nfs/dbraw/zinc/94/14/99/1251941499.db2.gz KXAPDRLEXXKGEV-QZWWFDLISA-N 2 1 360.502 0.815 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999199475 1252068604 /nfs/dbraw/zinc/06/86/04/1252068604.db2.gz HFKHMNVNUAOGBU-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999199475 1252068612 /nfs/dbraw/zinc/06/86/12/1252068612.db2.gz HFKHMNVNUAOGBU-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999199469 1252069187 /nfs/dbraw/zinc/06/91/87/1252069187.db2.gz HFKHMNVNUAOGBU-HRCADAONSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999199469 1252069193 /nfs/dbraw/zinc/06/91/93/1252069193.db2.gz HFKHMNVNUAOGBU-HRCADAONSA-N 2 1 363.510 0.894 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000999496699 1252127229 /nfs/dbraw/zinc/12/72/29/1252127229.db2.gz OHXLKSFJEOVSHE-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000999496699 1252127232 /nfs/dbraw/zinc/12/72/32/1252127232.db2.gz OHXLKSFJEOVSHE-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002248781 1252489557 /nfs/dbraw/zinc/48/95/57/1252489557.db2.gz RNJVCVJGPIWBBP-OIISXLGYSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002248781 1252489558 /nfs/dbraw/zinc/48/95/58/1252489558.db2.gz RNJVCVJGPIWBBP-OIISXLGYSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002248781 1252489562 /nfs/dbraw/zinc/48/95/62/1252489562.db2.gz RNJVCVJGPIWBBP-OIISXLGYSA-N 2 1 366.506 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC001002289526 1252505094 /nfs/dbraw/zinc/50/50/94/1252505094.db2.gz FJHDAAFORNOMBJ-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC001002289526 1252505097 /nfs/dbraw/zinc/50/50/97/1252505097.db2.gz FJHDAAFORNOMBJ-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002289526 1252505106 /nfs/dbraw/zinc/50/51/06/1252505106.db2.gz FJHDAAFORNOMBJ-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002289526 1252505115 /nfs/dbraw/zinc/50/51/15/1252505115.db2.gz FJHDAAFORNOMBJ-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002501248 1252578122 /nfs/dbraw/zinc/57/81/22/1252578122.db2.gz ZIZBCHBYGYJGSX-BPQIPLTHSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002501248 1252578128 /nfs/dbraw/zinc/57/81/28/1252578128.db2.gz ZIZBCHBYGYJGSX-BPQIPLTHSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002501248 1252578139 /nfs/dbraw/zinc/57/81/39/1252578139.db2.gz ZIZBCHBYGYJGSX-BPQIPLTHSA-N 2 1 364.534 0.879 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001002834925 1252695794 /nfs/dbraw/zinc/69/57/94/1252695794.db2.gz LCTKORIGFUWOOK-TVFCKZIOSA-N 2 1 371.485 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002947497 1252747071 /nfs/dbraw/zinc/74/70/71/1252747071.db2.gz HFZHSSIGVNDYAK-XDNAFOTISA-N 2 1 371.485 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001003132964 1252787946 /nfs/dbraw/zinc/78/79/46/1252787946.db2.gz MBNUIBLEMYSEHN-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003666741 1253045122 /nfs/dbraw/zinc/04/51/22/1253045122.db2.gz AYVYRKUABQBMOE-MSOLQXFVSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003666741 1253045131 /nfs/dbraw/zinc/04/51/31/1253045131.db2.gz AYVYRKUABQBMOE-MSOLQXFVSA-N 2 1 358.486 0.658 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001003666797 1253045908 /nfs/dbraw/zinc/04/59/08/1253045908.db2.gz DLJOZTGWTATUMB-QYZOEREBSA-N 2 1 370.497 0.801 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001003666797 1253045923 /nfs/dbraw/zinc/04/59/23/1253045923.db2.gz DLJOZTGWTATUMB-QYZOEREBSA-N 2 1 370.497 0.801 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004284970 1253273686 /nfs/dbraw/zinc/27/36/86/1253273686.db2.gz KTURLZZXTPJBGU-WCXIOVBPSA-N 2 1 360.502 0.957 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001004363528 1253299274 /nfs/dbraw/zinc/29/92/74/1253299274.db2.gz XUWDXACJVDQXFA-HPBDAGMYSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001004364437 1253300303 /nfs/dbraw/zinc/30/03/03/1253300303.db2.gz FMEXUIRZPHXCPW-FPCVCCKLSA-N 2 1 359.474 0.932 20 0 FCADMP CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469465 1253334913 /nfs/dbraw/zinc/33/49/13/1253334913.db2.gz OIMCWRWPNUNAGA-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469465 1253334920 /nfs/dbraw/zinc/33/49/20/1253334920.db2.gz OIMCWRWPNUNAGA-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004469465 1253334924 /nfs/dbraw/zinc/33/49/24/1253334924.db2.gz OIMCWRWPNUNAGA-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004469465 1253334927 /nfs/dbraw/zinc/33/49/27/1253334927.db2.gz OIMCWRWPNUNAGA-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CCN3c4ccccc4C(=O)C3=O)nn2)CC1 ZINC001329315341 1265732902 /nfs/dbraw/zinc/73/29/02/1265732902.db2.gz HLLCDJMKJANCEE-UHFFFAOYSA-N 2 1 368.441 0.473 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001005406886 1253546484 /nfs/dbraw/zinc/54/64/84/1253546484.db2.gz JZPJHEZGPKMMJJ-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001005406886 1253546492 /nfs/dbraw/zinc/54/64/92/1253546492.db2.gz JZPJHEZGPKMMJJ-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001519641840 1265741581 /nfs/dbraw/zinc/74/15/81/1265741581.db2.gz GMVQVIFJPUGETC-OAHLLOKOSA-N 2 1 354.495 0.855 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001519641840 1265741587 /nfs/dbraw/zinc/74/15/87/1265741587.db2.gz GMVQVIFJPUGETC-OAHLLOKOSA-N 2 1 354.495 0.855 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001519641840 1265741594 /nfs/dbraw/zinc/74/15/94/1265741594.db2.gz GMVQVIFJPUGETC-OAHLLOKOSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001005580612 1253582619 /nfs/dbraw/zinc/58/26/19/1253582619.db2.gz IJBFBOXWCDJBDL-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001005580612 1253582628 /nfs/dbraw/zinc/58/26/28/1253582628.db2.gz IJBFBOXWCDJBDL-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001519641840 1265741600 /nfs/dbraw/zinc/74/16/00/1265741600.db2.gz GMVQVIFJPUGETC-OAHLLOKOSA-N 2 1 354.495 0.855 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC001006185341 1253723052 /nfs/dbraw/zinc/72/30/52/1253723052.db2.gz QMASIVWJXVCUSU-XOKHGSTOSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC001006185341 1253723056 /nfs/dbraw/zinc/72/30/56/1253723056.db2.gz QMASIVWJXVCUSU-XOKHGSTOSA-N 2 1 361.490 0.885 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC001022149248 1253786025 /nfs/dbraw/zinc/78/60/25/1253786025.db2.gz PCXXOQWCAWNXGA-QILLFSRXSA-N 2 1 367.453 0.959 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001022174548 1253801003 /nfs/dbraw/zinc/80/10/03/1253801003.db2.gz FPPGHBBYCGSHHZ-LZLYRXPVSA-N 2 1 359.474 0.591 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916686 1253849183 /nfs/dbraw/zinc/84/91/83/1253849183.db2.gz MDVFUPVZRKJPIA-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916686 1253849195 /nfs/dbraw/zinc/84/91/95/1253849195.db2.gz MDVFUPVZRKJPIA-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766495 1253870867 /nfs/dbraw/zinc/87/08/67/1253870867.db2.gz CFXADDXLVPVCRA-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766495 1253870871 /nfs/dbraw/zinc/87/08/71/1253870871.db2.gz CFXADDXLVPVCRA-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766495 1253870880 /nfs/dbraw/zinc/87/08/80/1253870880.db2.gz CFXADDXLVPVCRA-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766495 1253870887 /nfs/dbraw/zinc/87/08/87/1253870887.db2.gz CFXADDXLVPVCRA-SOLBZPMBSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767137 1253872454 /nfs/dbraw/zinc/87/24/54/1253872454.db2.gz LFGQIOCMEWMCAP-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767137 1253872464 /nfs/dbraw/zinc/87/24/64/1253872464.db2.gz LFGQIOCMEWMCAP-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767137 1253872481 /nfs/dbraw/zinc/87/24/81/1253872481.db2.gz LFGQIOCMEWMCAP-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001029767137 1253872486 /nfs/dbraw/zinc/87/24/86/1253872486.db2.gz LFGQIOCMEWMCAP-UWWQBHOKSA-N 2 1 361.490 0.784 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001032413849 1253919609 /nfs/dbraw/zinc/91/96/09/1253919609.db2.gz SWGKBIJMLCWJQD-YHUYYLMFSA-N 2 1 362.474 0.151 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001032413849 1253919618 /nfs/dbraw/zinc/91/96/18/1253919618.db2.gz SWGKBIJMLCWJQD-YHUYYLMFSA-N 2 1 362.474 0.151 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001032413849 1253919634 /nfs/dbraw/zinc/91/96/34/1253919634.db2.gz SWGKBIJMLCWJQD-YHUYYLMFSA-N 2 1 362.474 0.151 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001032413849 1253919643 /nfs/dbraw/zinc/91/96/43/1253919643.db2.gz SWGKBIJMLCWJQD-YHUYYLMFSA-N 2 1 362.474 0.151 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197652 1253950166 /nfs/dbraw/zinc/95/01/66/1253950166.db2.gz RDBRSJCLAGYOGZ-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197652 1253950175 /nfs/dbraw/zinc/95/01/75/1253950175.db2.gz RDBRSJCLAGYOGZ-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197652 1253950180 /nfs/dbraw/zinc/95/01/80/1253950180.db2.gz RDBRSJCLAGYOGZ-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197652 1253950186 /nfs/dbraw/zinc/95/01/86/1253950186.db2.gz RDBRSJCLAGYOGZ-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001034941461 1254009945 /nfs/dbraw/zinc/00/99/45/1254009945.db2.gz QGKJJCWIUZXVAK-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001034941461 1254009951 /nfs/dbraw/zinc/00/99/51/1254009951.db2.gz QGKJJCWIUZXVAK-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001034971890 1254013819 /nfs/dbraw/zinc/01/38/19/1254013819.db2.gz YFTXUTBFPKTAFT-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001034971890 1254013831 /nfs/dbraw/zinc/01/38/31/1254013831.db2.gz YFTXUTBFPKTAFT-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061621784 1254194763 /nfs/dbraw/zinc/19/47/63/1254194763.db2.gz FGGWXMKDSILQPG-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC001063220348 1254314580 /nfs/dbraw/zinc/31/45/80/1254314580.db2.gz GAWLPDCPTNHKSP-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC001063220348 1254314591 /nfs/dbraw/zinc/31/45/91/1254314591.db2.gz GAWLPDCPTNHKSP-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC2)CC[N@H+]1C ZINC001063221673 1254317057 /nfs/dbraw/zinc/31/70/57/1254317057.db2.gz GIRBGGXLRKIEDV-MDZRGWNJSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC2)CC[NH+]1C ZINC001063221673 1254317059 /nfs/dbraw/zinc/31/70/59/1254317059.db2.gz GIRBGGXLRKIEDV-MDZRGWNJSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC2)CC[NH+]1C ZINC001063221673 1254317065 /nfs/dbraw/zinc/31/70/65/1254317065.db2.gz GIRBGGXLRKIEDV-MDZRGWNJSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C[NH+](C)C3CCC3)CCC2)O1 ZINC001063400161 1254337504 /nfs/dbraw/zinc/33/75/04/1254337504.db2.gz DZKXNUJUXBFAOX-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C[NH+](C)C3CCC3)CCC2)O1 ZINC001063400161 1254337507 /nfs/dbraw/zinc/33/75/07/1254337507.db2.gz DZKXNUJUXBFAOX-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)C[N@H+](C)C3CCC3)CCC2)O1 ZINC001063400161 1254337515 /nfs/dbraw/zinc/33/75/15/1254337515.db2.gz DZKXNUJUXBFAOX-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)C[N@@H+](C)C3CCC3)CCC2)O1 ZINC001063400161 1254337521 /nfs/dbraw/zinc/33/75/21/1254337521.db2.gz DZKXNUJUXBFAOX-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001520192001 1265872392 /nfs/dbraw/zinc/87/23/92/1265872392.db2.gz PFVMOAJWWDUROG-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001077582829 1254733245 /nfs/dbraw/zinc/73/32/45/1254733245.db2.gz URYSZRQAQZFNTE-OKEQZYBDSA-N 2 1 365.474 0.931 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001077582829 1254733256 /nfs/dbraw/zinc/73/32/56/1254733256.db2.gz URYSZRQAQZFNTE-OKEQZYBDSA-N 2 1 365.474 0.931 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685207 1254879728 /nfs/dbraw/zinc/87/97/28/1254879728.db2.gz DSCZBGQZNCHZAN-FGTMMUONSA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685207 1254879740 /nfs/dbraw/zinc/87/97/40/1254879740.db2.gz DSCZBGQZNCHZAN-FGTMMUONSA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685207 1254879747 /nfs/dbraw/zinc/87/97/47/1254879747.db2.gz DSCZBGQZNCHZAN-FGTMMUONSA-N 2 1 367.534 0.821 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077979006 1255142276 /nfs/dbraw/zinc/14/22/76/1255142276.db2.gz WNCNXVHGDFHQFR-RTBURBONSA-N 2 1 365.518 0.839 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078007583 1255163740 /nfs/dbraw/zinc/16/37/40/1255163740.db2.gz USPLPPQASFMVMJ-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078007583 1255163747 /nfs/dbraw/zinc/16/37/47/1255163747.db2.gz USPLPPQASFMVMJ-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007583 1255163752 /nfs/dbraw/zinc/16/37/52/1255163752.db2.gz USPLPPQASFMVMJ-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007583 1255163756 /nfs/dbraw/zinc/16/37/56/1255163756.db2.gz USPLPPQASFMVMJ-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011758 1255167677 /nfs/dbraw/zinc/16/76/77/1255167677.db2.gz GJLLNCXSGFGRIH-QZTJIDSGSA-N 2 1 371.481 0.985 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011758 1255167681 /nfs/dbraw/zinc/16/76/81/1255167681.db2.gz GJLLNCXSGFGRIH-QZTJIDSGSA-N 2 1 371.481 0.985 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078179958 1255293217 /nfs/dbraw/zinc/29/32/17/1255293217.db2.gz GWYAIIWYDBLKFI-QZTJIDSGSA-N 2 1 359.470 0.421 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078179958 1255293219 /nfs/dbraw/zinc/29/32/19/1255293219.db2.gz GWYAIIWYDBLKFI-QZTJIDSGSA-N 2 1 359.470 0.421 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001079130124 1255446208 /nfs/dbraw/zinc/44/62/08/1255446208.db2.gz YPBOWZVGNNRTOH-GUDVDZBRSA-N 2 1 361.486 0.537 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001079130124 1255446219 /nfs/dbraw/zinc/44/62/19/1255446219.db2.gz YPBOWZVGNNRTOH-GUDVDZBRSA-N 2 1 361.486 0.537 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001079130124 1255446224 /nfs/dbraw/zinc/44/62/24/1255446224.db2.gz YPBOWZVGNNRTOH-GUDVDZBRSA-N 2 1 361.486 0.537 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270502 1255495910 /nfs/dbraw/zinc/49/59/10/1255495910.db2.gz VTQVUFVAYJTRBZ-OKZBNKHCSA-N 2 1 365.518 0.650 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698076 1255579151 /nfs/dbraw/zinc/57/91/51/1255579151.db2.gz IVLHEFLOHCTRHL-RBSFLKMASA-N 2 1 364.490 0.493 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698076 1255579156 /nfs/dbraw/zinc/57/91/56/1255579156.db2.gz IVLHEFLOHCTRHL-RBSFLKMASA-N 2 1 364.490 0.493 20 0 FCADMP CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079943952 1255676271 /nfs/dbraw/zinc/67/62/71/1255676271.db2.gz RDGQIEOMVGLKBW-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079943952 1255676275 /nfs/dbraw/zinc/67/62/75/1255676275.db2.gz RDGQIEOMVGLKBW-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC001080107582 1255747348 /nfs/dbraw/zinc/74/73/48/1255747348.db2.gz KQCCGCYAHMACJN-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC001080107582 1255747356 /nfs/dbraw/zinc/74/73/56/1255747356.db2.gz KQCCGCYAHMACJN-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164680 1255767560 /nfs/dbraw/zinc/76/75/60/1255767560.db2.gz NCQUHPVLHBNVPO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164680 1255767562 /nfs/dbraw/zinc/76/75/62/1255767562.db2.gz NCQUHPVLHBNVPO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164680 1255767568 /nfs/dbraw/zinc/76/75/68/1255767568.db2.gz NCQUHPVLHBNVPO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164680 1255767572 /nfs/dbraw/zinc/76/75/72/1255767572.db2.gz NCQUHPVLHBNVPO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080456275 1255899628 /nfs/dbraw/zinc/89/96/28/1255899628.db2.gz WPIOWANIQCQISM-ZTFGCOKTSA-N 2 1 358.486 0.729 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080456275 1255899632 /nfs/dbraw/zinc/89/96/32/1255899632.db2.gz WPIOWANIQCQISM-ZTFGCOKTSA-N 2 1 358.486 0.729 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080936076 1256102654 /nfs/dbraw/zinc/10/26/54/1256102654.db2.gz HKWPFWLPZMJARP-QLFBSQMISA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080936076 1256102664 /nfs/dbraw/zinc/10/26/64/1256102664.db2.gz HKWPFWLPZMJARP-QLFBSQMISA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080936076 1256102672 /nfs/dbraw/zinc/10/26/72/1256102672.db2.gz HKWPFWLPZMJARP-QLFBSQMISA-N 2 1 363.510 0.359 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CO)(NC(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001080988854 1256128765 /nfs/dbraw/zinc/12/87/65/1256128765.db2.gz GJURQKFCFQPJEB-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999007 1256133420 /nfs/dbraw/zinc/13/34/20/1256133420.db2.gz XVDZUBLWECOWMU-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999007 1256133424 /nfs/dbraw/zinc/13/34/24/1256133424.db2.gz XVDZUBLWECOWMU-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999007 1256133426 /nfs/dbraw/zinc/13/34/26/1256133426.db2.gz XVDZUBLWECOWMU-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081097815 1256176698 /nfs/dbraw/zinc/17/66/98/1256176698.db2.gz GXFGORKPBZAQGV-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686173 1256334637 /nfs/dbraw/zinc/33/46/37/1256334637.db2.gz JDFHZCZDQZGBBR-NANBGGJNSA-N 2 1 363.506 0.920 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001081885105 1256431838 /nfs/dbraw/zinc/43/18/38/1256431838.db2.gz ZXKCQWHSHPYYJW-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001081885105 1256431840 /nfs/dbraw/zinc/43/18/40/1256431840.db2.gz ZXKCQWHSHPYYJW-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001081885105 1256431841 /nfs/dbraw/zinc/43/18/41/1256431841.db2.gz ZXKCQWHSHPYYJW-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001081885105 1256431842 /nfs/dbraw/zinc/43/18/42/1256431842.db2.gz ZXKCQWHSHPYYJW-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949406 1256468816 /nfs/dbraw/zinc/46/88/16/1256468816.db2.gz NNWZYYUTNFXHKG-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949406 1256468821 /nfs/dbraw/zinc/46/88/21/1256468821.db2.gz NNWZYYUTNFXHKG-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001081952007 1256470014 /nfs/dbraw/zinc/47/00/14/1256470014.db2.gz PHGGUKHAUYDXGY-QGPMSJSTSA-N 2 1 362.474 0.614 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001081952007 1256470018 /nfs/dbraw/zinc/47/00/18/1256470018.db2.gz PHGGUKHAUYDXGY-QGPMSJSTSA-N 2 1 362.474 0.614 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959795 1256474636 /nfs/dbraw/zinc/47/46/36/1256474636.db2.gz YIGUUPMODNKLEO-ARCLZCIDSA-N 2 1 371.481 0.865 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959795 1256474638 /nfs/dbraw/zinc/47/46/38/1256474638.db2.gz YIGUUPMODNKLEO-ARCLZCIDSA-N 2 1 371.481 0.865 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959795 1256474642 /nfs/dbraw/zinc/47/46/42/1256474642.db2.gz YIGUUPMODNKLEO-ARCLZCIDSA-N 2 1 371.481 0.865 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135353 1256553275 /nfs/dbraw/zinc/55/32/75/1256553275.db2.gz ZLJYULSCVDNAKH-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135353 1256553279 /nfs/dbraw/zinc/55/32/79/1256553279.db2.gz ZLJYULSCVDNAKH-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135353 1256553280 /nfs/dbraw/zinc/55/32/80/1256553280.db2.gz ZLJYULSCVDNAKH-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135353 1256553284 /nfs/dbraw/zinc/55/32/84/1256553284.db2.gz ZLJYULSCVDNAKH-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001082200098 1256586273 /nfs/dbraw/zinc/58/62/73/1256586273.db2.gz QDXKAPUUBTZSMW-GVDBMIGSSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001082200098 1256586276 /nfs/dbraw/zinc/58/62/76/1256586276.db2.gz QDXKAPUUBTZSMW-GVDBMIGSSA-N 2 1 364.494 0.358 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379327 1256730930 /nfs/dbraw/zinc/73/09/30/1256730930.db2.gz SBJHCGZGZGKXDC-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379327 1256730933 /nfs/dbraw/zinc/73/09/33/1256730933.db2.gz SBJHCGZGZGKXDC-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379327 1256730935 /nfs/dbraw/zinc/73/09/35/1256730935.db2.gz SBJHCGZGZGKXDC-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2OC)C1 ZINC001082379327 1256730939 /nfs/dbraw/zinc/73/09/39/1256730939.db2.gz SBJHCGZGZGKXDC-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001082459279 1256770026 /nfs/dbraw/zinc/77/00/26/1256770026.db2.gz WWQKZRIMLPWZMW-CSMYWGQOSA-N 2 1 359.430 0.490 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001082459279 1256770030 /nfs/dbraw/zinc/77/00/30/1256770030.db2.gz WWQKZRIMLPWZMW-CSMYWGQOSA-N 2 1 359.430 0.490 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C)c1nnnn1C ZINC001082511986 1256796567 /nfs/dbraw/zinc/79/65/67/1256796567.db2.gz CRZQBPDSYNAELR-RBSFLKMASA-N 2 1 363.510 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082520244 1256802436 /nfs/dbraw/zinc/80/24/36/1256802436.db2.gz KGBHJDNPQYDLLG-RRCSTGOVSA-N 2 1 372.473 0.299 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001082522536 1256805163 /nfs/dbraw/zinc/80/51/63/1256805163.db2.gz NXIZBALGBOXDLM-QKPAOTATSA-N 2 1 363.510 0.750 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001082522536 1256805177 /nfs/dbraw/zinc/80/51/77/1256805177.db2.gz NXIZBALGBOXDLM-QKPAOTATSA-N 2 1 363.510 0.750 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001082522123 1256805643 /nfs/dbraw/zinc/80/56/43/1256805643.db2.gz UHGBRSRWZXWINA-QKPAOTATSA-N 2 1 363.510 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001082522123 1256805651 /nfs/dbraw/zinc/80/56/51/1256805651.db2.gz UHGBRSRWZXWINA-QKPAOTATSA-N 2 1 363.510 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082558450 1256857552 /nfs/dbraw/zinc/85/75/52/1256857552.db2.gz RAVXGPMKUQUXNR-DJIMGWMZSA-N 2 1 359.478 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082590111 1256903315 /nfs/dbraw/zinc/90/33/15/1256903315.db2.gz COVHURYWCFEWNF-MUIFIZLQSA-N 2 1 362.474 0.041 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082590111 1256903320 /nfs/dbraw/zinc/90/33/20/1256903320.db2.gz COVHURYWCFEWNF-MUIFIZLQSA-N 2 1 362.474 0.041 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653609 1256957067 /nfs/dbraw/zinc/95/70/67/1256957067.db2.gz TVCAFZSWAGBTRH-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653244 1256958012 /nfs/dbraw/zinc/95/80/12/1256958012.db2.gz BUMZDYZBOZXFJY-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653244 1256958018 /nfs/dbraw/zinc/95/80/18/1256958018.db2.gz BUMZDYZBOZXFJY-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP NC(=O)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670811 1266079875 /nfs/dbraw/zinc/07/98/75/1266079875.db2.gz BDEYCLOTVSLDGC-AZUAARDMSA-N 2 1 361.486 0.884 20 0 FCADMP NC(=O)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670811 1266079880 /nfs/dbraw/zinc/07/98/80/1266079880.db2.gz BDEYCLOTVSLDGC-AZUAARDMSA-N 2 1 361.486 0.884 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702716 1256994618 /nfs/dbraw/zinc/99/46/18/1256994618.db2.gz DOODEJAKIYZUGI-OIISXLGYSA-N 2 1 364.494 0.344 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702716 1256994625 /nfs/dbraw/zinc/99/46/25/1256994625.db2.gz DOODEJAKIYZUGI-OIISXLGYSA-N 2 1 364.494 0.344 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082742916 1257022666 /nfs/dbraw/zinc/02/26/66/1257022666.db2.gz WOKUPFPSOXIQFT-DDUZABMNSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082742916 1257022675 /nfs/dbraw/zinc/02/26/75/1257022675.db2.gz WOKUPFPSOXIQFT-DDUZABMNSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1nnnn1C1CC1 ZINC001082863537 1257114009 /nfs/dbraw/zinc/11/40/09/1257114009.db2.gz HXBXBOBUBPVWKV-UMVBOHGHSA-N 2 1 359.478 0.601 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)C1 ZINC001082933742 1257155109 /nfs/dbraw/zinc/15/51/09/1257155109.db2.gz HWYPSSSXWMBGND-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)C1 ZINC001082933742 1257155112 /nfs/dbraw/zinc/15/51/12/1257155112.db2.gz HWYPSSSXWMBGND-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC001521266397 1266107310 /nfs/dbraw/zinc/10/73/10/1266107310.db2.gz NGHCLFHTDBFUNT-OIISXLGYSA-N 2 1 358.490 0.549 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654190 1257465735 /nfs/dbraw/zinc/46/57/35/1257465735.db2.gz AVANFNWAYHQMCJ-DXWXDBEXSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654190 1257465737 /nfs/dbraw/zinc/46/57/37/1257465737.db2.gz AVANFNWAYHQMCJ-DXWXDBEXSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654190 1257465740 /nfs/dbraw/zinc/46/57/40/1257465740.db2.gz AVANFNWAYHQMCJ-DXWXDBEXSA-N 2 1 371.481 0.520 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083749939 1257488681 /nfs/dbraw/zinc/48/86/81/1257488681.db2.gz XWCKYUMONZMWPT-OTWHNJEPSA-N 2 1 361.486 0.093 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083780994 1257523856 /nfs/dbraw/zinc/52/38/56/1257523856.db2.gz QVQUUBGWGWXZES-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083780994 1257523863 /nfs/dbraw/zinc/52/38/63/1257523863.db2.gz QVQUUBGWGWXZES-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083780994 1257523872 /nfs/dbraw/zinc/52/38/72/1257523872.db2.gz QVQUUBGWGWXZES-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083780994 1257523877 /nfs/dbraw/zinc/52/38/77/1257523877.db2.gz QVQUUBGWGWXZES-IPELMVKDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781089 1257524202 /nfs/dbraw/zinc/52/42/02/1257524202.db2.gz ULQQLQIWCQHMSK-LZQZEXGQSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781089 1257524208 /nfs/dbraw/zinc/52/42/08/1257524208.db2.gz ULQQLQIWCQHMSK-LZQZEXGQSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781089 1257524213 /nfs/dbraw/zinc/52/42/13/1257524213.db2.gz ULQQLQIWCQHMSK-LZQZEXGQSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781089 1257524214 /nfs/dbraw/zinc/52/42/14/1257524214.db2.gz ULQQLQIWCQHMSK-LZQZEXGQSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968632 1266123779 /nfs/dbraw/zinc/12/37/79/1266123779.db2.gz FGERTMLGZONDLT-MJGOQNOKSA-N 2 1 366.550 0.925 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083826503 1257577782 /nfs/dbraw/zinc/57/77/82/1257577782.db2.gz WXLPXGYNWYUYJF-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083826503 1257577787 /nfs/dbraw/zinc/57/77/87/1257577787.db2.gz WXLPXGYNWYUYJF-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083826504 1257578277 /nfs/dbraw/zinc/57/82/77/1257578277.db2.gz WXLPXGYNWYUYJF-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083826504 1257578280 /nfs/dbraw/zinc/57/82/80/1257578280.db2.gz WXLPXGYNWYUYJF-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851178 1257608842 /nfs/dbraw/zinc/60/88/42/1257608842.db2.gz QVZKDGUIHFILSF-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083864165 1257626828 /nfs/dbraw/zinc/62/68/28/1257626828.db2.gz AOEKSHRYTNDPLH-UHOSZYNNSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)cc1 ZINC001083864473 1257626975 /nfs/dbraw/zinc/62/69/75/1257626975.db2.gz QCSVPEJMPSOWCR-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001331030607 1266132472 /nfs/dbraw/zinc/13/24/72/1266132472.db2.gz MKMPZOAHVULJSO-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937369 1257723082 /nfs/dbraw/zinc/72/30/82/1257723082.db2.gz ZUCQXUMHVHNQFX-QRQLOZEOSA-N 2 1 365.518 0.696 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001083954926 1257744985 /nfs/dbraw/zinc/74/49/85/1257744985.db2.gz ONYZHIAJAQONOS-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083954926 1257744990 /nfs/dbraw/zinc/74/49/90/1257744990.db2.gz ONYZHIAJAQONOS-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083954926 1257744999 /nfs/dbraw/zinc/74/49/99/1257744999.db2.gz ONYZHIAJAQONOS-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958399 1257748116 /nfs/dbraw/zinc/74/81/16/1257748116.db2.gz DFFPSKAYEZKRJX-SJORKVTESA-N 2 1 365.424 0.764 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958399 1257748119 /nfs/dbraw/zinc/74/81/19/1257748119.db2.gz DFFPSKAYEZKRJX-SJORKVTESA-N 2 1 365.424 0.764 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1 ZINC001083958364 1257748157 /nfs/dbraw/zinc/74/81/57/1257748157.db2.gz BPUDYBPYCSNFEF-MSOLQXFVSA-N 2 1 358.486 0.510 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083962080 1257753977 /nfs/dbraw/zinc/75/39/77/1257753977.db2.gz UXCMNFLDCISPBR-KYJSFNMBSA-N 2 1 362.474 0.739 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083962080 1257753980 /nfs/dbraw/zinc/75/39/80/1257753980.db2.gz UXCMNFLDCISPBR-KYJSFNMBSA-N 2 1 362.474 0.739 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053714 1257865309 /nfs/dbraw/zinc/86/53/09/1257865309.db2.gz IEGLDMZWCZWIJL-NXHRZFHOSA-N 2 1 359.470 0.841 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053714 1257865318 /nfs/dbraw/zinc/86/53/18/1257865318.db2.gz IEGLDMZWCZWIJL-NXHRZFHOSA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053714 1257865325 /nfs/dbraw/zinc/86/53/25/1257865325.db2.gz IEGLDMZWCZWIJL-NXHRZFHOSA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053714 1257865332 /nfs/dbraw/zinc/86/53/32/1257865332.db2.gz IEGLDMZWCZWIJL-NXHRZFHOSA-N 2 1 359.470 0.841 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053835 1257865908 /nfs/dbraw/zinc/86/59/08/1257865908.db2.gz MSUMOPRGSOHFOF-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053835 1257865919 /nfs/dbraw/zinc/86/59/19/1257865919.db2.gz MSUMOPRGSOHFOF-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053835 1257865930 /nfs/dbraw/zinc/86/59/30/1257865930.db2.gz MSUMOPRGSOHFOF-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054169 1257866389 /nfs/dbraw/zinc/86/63/89/1257866389.db2.gz ZCISQDDUPRGQCA-JQHSSLGASA-N 2 1 370.453 0.955 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054169 1257866399 /nfs/dbraw/zinc/86/63/99/1257866399.db2.gz ZCISQDDUPRGQCA-JQHSSLGASA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054169 1257866406 /nfs/dbraw/zinc/86/64/06/1257866406.db2.gz ZCISQDDUPRGQCA-JQHSSLGASA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054169 1257866416 /nfs/dbraw/zinc/86/64/16/1257866416.db2.gz ZCISQDDUPRGQCA-JQHSSLGASA-N 2 1 370.453 0.955 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC001331098114 1266145809 /nfs/dbraw/zinc/14/58/09/1266145809.db2.gz PFRMKTPVFJYVLS-NXOAAHMSSA-N 2 1 366.506 0.250 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC001331133412 1266155063 /nfs/dbraw/zinc/15/50/63/1266155063.db2.gz VOMZUDBNLLEQAQ-KRWDZBQOSA-N 2 1 358.486 0.808 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347224 1258040676 /nfs/dbraw/zinc/04/06/76/1258040676.db2.gz KMRHITPACAQNNW-NZSAHSFTSA-N 2 1 357.502 0.837 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084403321 1258082480 /nfs/dbraw/zinc/08/24/80/1258082480.db2.gz PMMWOXPQHXKTIF-FGTMMUONSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084403321 1258082488 /nfs/dbraw/zinc/08/24/88/1258082488.db2.gz PMMWOXPQHXKTIF-FGTMMUONSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084403321 1258082495 /nfs/dbraw/zinc/08/24/95/1258082495.db2.gz PMMWOXPQHXKTIF-FGTMMUONSA-N 2 1 360.506 0.789 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598664 1258191477 /nfs/dbraw/zinc/19/14/77/1258191477.db2.gz ADJUYRLQIWPIEP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598664 1258191481 /nfs/dbraw/zinc/19/14/81/1258191481.db2.gz ADJUYRLQIWPIEP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598664 1258191484 /nfs/dbraw/zinc/19/14/84/1258191484.db2.gz ADJUYRLQIWPIEP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084598664 1258191488 /nfs/dbraw/zinc/19/14/88/1258191488.db2.gz ADJUYRLQIWPIEP-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663277 1258225165 /nfs/dbraw/zinc/22/51/65/1258225165.db2.gz VHLZJAHGBPBZKV-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663277 1258225171 /nfs/dbraw/zinc/22/51/71/1258225171.db2.gz VHLZJAHGBPBZKV-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663277 1258225175 /nfs/dbraw/zinc/22/51/75/1258225175.db2.gz VHLZJAHGBPBZKV-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773495 1258315088 /nfs/dbraw/zinc/31/50/88/1258315088.db2.gz RWLRVMKVFSQSTL-LZLYRXPVSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773495 1258315097 /nfs/dbraw/zinc/31/50/97/1258315097.db2.gz RWLRVMKVFSQSTL-LZLYRXPVSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773495 1258315104 /nfs/dbraw/zinc/31/51/04/1258315104.db2.gz RWLRVMKVFSQSTL-LZLYRXPVSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773495 1258315112 /nfs/dbraw/zinc/31/51/12/1258315112.db2.gz RWLRVMKVFSQSTL-LZLYRXPVSA-N 2 1 360.506 0.981 20 0 FCADMP Cn1nnc2cc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001084829900 1258374505 /nfs/dbraw/zinc/37/45/05/1258374505.db2.gz CVKHAVMIVXGZOY-JTDSTZFVSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3CC[C@@H]4CN(C(=O)[C@H]5CC[N@H+](C)C5)[C@@H]4C3)ccc21 ZINC001084829900 1258374514 /nfs/dbraw/zinc/37/45/14/1258374514.db2.gz CVKHAVMIVXGZOY-JTDSTZFVSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3CC[C@@H]4CN(C(=O)[C@H]5CC[N@@H+](C)C5)[C@@H]4C3)ccc21 ZINC001084829900 1258374518 /nfs/dbraw/zinc/37/45/18/1258374518.db2.gz CVKHAVMIVXGZOY-JTDSTZFVSA-N 2 1 368.485 0.953 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830136 1258374797 /nfs/dbraw/zinc/37/47/97/1258374797.db2.gz MAFWNPCUSNKAFY-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830136 1258374804 /nfs/dbraw/zinc/37/48/04/1258374804.db2.gz MAFWNPCUSNKAFY-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830136 1258374808 /nfs/dbraw/zinc/37/48/08/1258374808.db2.gz MAFWNPCUSNKAFY-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830136 1258374815 /nfs/dbraw/zinc/37/48/15/1258374815.db2.gz MAFWNPCUSNKAFY-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084941488 1258454899 /nfs/dbraw/zinc/45/48/99/1258454899.db2.gz LMIZWTRFXYXGSV-KURKYZTESA-N 2 1 358.490 0.543 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032728 1258533742 /nfs/dbraw/zinc/53/37/42/1258533742.db2.gz WUDABGAPOZOLQV-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032728 1258533747 /nfs/dbraw/zinc/53/37/47/1258533747.db2.gz WUDABGAPOZOLQV-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032728 1258533752 /nfs/dbraw/zinc/53/37/52/1258533752.db2.gz WUDABGAPOZOLQV-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CC[C@H]3CCOC3)CC[C@@H]2C1 ZINC001088140703 1258653840 /nfs/dbraw/zinc/65/38/40/1258653840.db2.gz ZUCXJEUZYWXCPD-OTWHNJEPSA-N 2 1 365.518 0.916 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)CC[C@@H]2C1 ZINC001088140703 1258653846 /nfs/dbraw/zinc/65/38/46/1258653846.db2.gz ZUCXJEUZYWXCPD-OTWHNJEPSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088154405 1258664809 /nfs/dbraw/zinc/66/48/09/1258664809.db2.gz LKHQBHQPRWBIEG-KSZLIROESA-N 2 1 365.518 0.914 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088157802 1258670806 /nfs/dbraw/zinc/67/08/06/1258670806.db2.gz ILSXPZFLDPCDKR-FGTMMUONSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172646 1258692113 /nfs/dbraw/zinc/69/21/13/1258692113.db2.gz XKBKKKFDPRITDE-XHSDSOJGSA-N 2 1 360.502 0.530 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199176 1258719057 /nfs/dbraw/zinc/71/90/57/1258719057.db2.gz DTNXHMKJGJKJIY-KURKYZTESA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199176 1258719063 /nfs/dbraw/zinc/71/90/63/1258719063.db2.gz DTNXHMKJGJKJIY-KURKYZTESA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cc1=O ZINC001088199176 1258719071 /nfs/dbraw/zinc/71/90/71/1258719071.db2.gz DTNXHMKJGJKJIY-KURKYZTESA-N 2 1 358.486 0.617 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207972 1258730838 /nfs/dbraw/zinc/73/08/38/1258730838.db2.gz FXGHSIQLKLHSNW-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207972 1258730847 /nfs/dbraw/zinc/73/08/47/1258730847.db2.gz FXGHSIQLKLHSNW-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207972 1258730852 /nfs/dbraw/zinc/73/08/52/1258730852.db2.gz FXGHSIQLKLHSNW-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207972 1258730859 /nfs/dbraw/zinc/73/08/59/1258730859.db2.gz FXGHSIQLKLHSNW-SOLBZPMBSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212582 1258734350 /nfs/dbraw/zinc/73/43/50/1258734350.db2.gz ASTWUAVNTAZVLK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212582 1258734353 /nfs/dbraw/zinc/73/43/53/1258734353.db2.gz ASTWUAVNTAZVLK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212582 1258734358 /nfs/dbraw/zinc/73/43/58/1258734358.db2.gz ASTWUAVNTAZVLK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212582 1258734360 /nfs/dbraw/zinc/73/43/60/1258734360.db2.gz ASTWUAVNTAZVLK-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945453 1258766750 /nfs/dbraw/zinc/76/67/50/1258766750.db2.gz PZUAENIXANPPCB-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945453 1258766756 /nfs/dbraw/zinc/76/67/56/1258766756.db2.gz PZUAENIXANPPCB-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945453 1258766758 /nfs/dbraw/zinc/76/67/58/1258766758.db2.gz PZUAENIXANPPCB-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945453 1258766763 /nfs/dbraw/zinc/76/67/63/1258766763.db2.gz PZUAENIXANPPCB-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)ncn1 ZINC001092724436 1258819464 /nfs/dbraw/zinc/81/94/64/1258819464.db2.gz MEPSXRKGVTYKOY-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)ncn1 ZINC001092724436 1258819468 /nfs/dbraw/zinc/81/94/68/1258819468.db2.gz MEPSXRKGVTYKOY-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)ncn1 ZINC001092724436 1258819475 /nfs/dbraw/zinc/81/94/75/1258819475.db2.gz MEPSXRKGVTYKOY-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)ncn1 ZINC001092724436 1258819484 /nfs/dbraw/zinc/81/94/84/1258819484.db2.gz MEPSXRKGVTYKOY-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001100343399 1258908357 /nfs/dbraw/zinc/90/83/57/1258908357.db2.gz DYCCGTBNBDMCPK-PRLABOORSA-N 2 1 367.538 0.909 20 0 FCADMP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100344492 1258908912 /nfs/dbraw/zinc/90/89/12/1258908912.db2.gz AINBCHBFSPQZHM-SJJHQCBESA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104363054 1258916004 /nfs/dbraw/zinc/91/60/04/1258916004.db2.gz XBSXUXIVFGHLET-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106593445 1258927111 /nfs/dbraw/zinc/92/71/11/1258927111.db2.gz FKWLUQSMRUJORZ-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106767487 1258958326 /nfs/dbraw/zinc/95/83/26/1258958326.db2.gz DTUDQCBUEXBGEW-SJLPKXTDSA-N 2 1 363.506 0.369 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001106784506 1258962902 /nfs/dbraw/zinc/96/29/02/1258962902.db2.gz IVNGCRPUQZQURJ-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881314 1258987509 /nfs/dbraw/zinc/98/75/09/1258987509.db2.gz BRODWNIXMOMMJM-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106987027 1259011455 /nfs/dbraw/zinc/01/14/55/1259011455.db2.gz OGENHDHBQZCHQB-DJIMGWMZSA-N 2 1 360.462 0.133 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC001106986486 1259012036 /nfs/dbraw/zinc/01/20/36/1259012036.db2.gz RDVFPUNRPMGCPK-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106986962 1259012171 /nfs/dbraw/zinc/01/21/71/1259012171.db2.gz LNRITJPVEORUHJ-UKRRQHHQSA-N 2 1 361.446 0.025 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001107039189 1259022528 /nfs/dbraw/zinc/02/25/28/1259022528.db2.gz MOCLTOJFSDLOJD-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC001107039198 1259022826 /nfs/dbraw/zinc/02/28/26/1259022826.db2.gz MUWYUPQLNXFWHV-HUUCEWRRSA-N 2 1 365.526 0.952 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039458 1259022944 /nfs/dbraw/zinc/02/29/44/1259022944.db2.gz SGWZQULMFJMZMU-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)O1 ZINC001107448635 1259092862 /nfs/dbraw/zinc/09/28/62/1259092862.db2.gz MDIJEWPJTATISE-YWTNHNAXSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)O1 ZINC001107448635 1259092868 /nfs/dbraw/zinc/09/28/68/1259092868.db2.gz MDIJEWPJTATISE-YWTNHNAXSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)O1 ZINC001107448635 1259092878 /nfs/dbraw/zinc/09/28/78/1259092878.db2.gz MDIJEWPJTATISE-YWTNHNAXSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)O1 ZINC001107448635 1259092882 /nfs/dbraw/zinc/09/28/82/1259092882.db2.gz MDIJEWPJTATISE-YWTNHNAXSA-N 2 1 369.506 0.075 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC001331517980 1266234089 /nfs/dbraw/zinc/23/40/89/1266234089.db2.gz SZVRUOFJIAFYEF-UHFFFAOYSA-N 2 1 358.486 0.898 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)CC1 ZINC001107520759 1259108057 /nfs/dbraw/zinc/10/80/57/1259108057.db2.gz DSRFNSHBZLCQFA-VQIMIIECSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CC3CCOCC3)CCO2)O1 ZINC001108023435 1259151468 /nfs/dbraw/zinc/15/14/68/1259151468.db2.gz BMGCZURWMJHPJB-SZVBFZGTSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CC3CCOCC3)CCO2)O1 ZINC001108023435 1259151471 /nfs/dbraw/zinc/15/14/71/1259151471.db2.gz BMGCZURWMJHPJB-SZVBFZGTSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@H+](CC3CCOCC3)CCO2)O1 ZINC001108023435 1259151473 /nfs/dbraw/zinc/15/14/73/1259151473.db2.gz BMGCZURWMJHPJB-SZVBFZGTSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CC3CCOCC3)CCO2)O1 ZINC001108023435 1259151477 /nfs/dbraw/zinc/15/14/77/1259151477.db2.gz BMGCZURWMJHPJB-SZVBFZGTSA-N 2 1 369.506 0.339 20 0 FCADMP COCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546231 1259157933 /nfs/dbraw/zinc/15/79/33/1259157933.db2.gz RIBWXYQBRVIBRD-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP COCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546231 1259157936 /nfs/dbraw/zinc/15/79/36/1259157936.db2.gz RIBWXYQBRVIBRD-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653232 1259184438 /nfs/dbraw/zinc/18/44/38/1259184438.db2.gz OLJNXENHEZLHTG-RBSFLKMASA-N 2 1 364.494 0.837 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](Oc3cnccc3C[NH2+]CCO)C2)CC[N@H+]1C ZINC001127888480 1259188470 /nfs/dbraw/zinc/18/84/70/1259188470.db2.gz QWAMEOWONOMFKG-HYVNUMGLSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@H](O)CCCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC001128350869 1259196217 /nfs/dbraw/zinc/19/62/17/1259196217.db2.gz KTGDLSNUSYKGGQ-ZMSDIMECSA-N 2 1 363.506 0.816 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830204 1259243605 /nfs/dbraw/zinc/24/36/05/1259243605.db2.gz OHTBOMKIVIVVAI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830204 1259243609 /nfs/dbraw/zinc/24/36/09/1259243609.db2.gz OHTBOMKIVIVVAI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830204 1259243615 /nfs/dbraw/zinc/24/36/15/1259243615.db2.gz OHTBOMKIVIVVAI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830204 1259243617 /nfs/dbraw/zinc/24/36/17/1259243617.db2.gz OHTBOMKIVIVVAI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052394 1259298807 /nfs/dbraw/zinc/29/88/07/1259298807.db2.gz DITPVSFQZNRZLP-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052394 1259298810 /nfs/dbraw/zinc/29/88/10/1259298810.db2.gz DITPVSFQZNRZLP-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052394 1259298814 /nfs/dbraw/zinc/29/88/14/1259298814.db2.gz DITPVSFQZNRZLP-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071669 1259305123 /nfs/dbraw/zinc/30/51/23/1259305123.db2.gz INULWORRLPADEU-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263045 1259359400 /nfs/dbraw/zinc/35/94/00/1259359400.db2.gz ZEYZPABVWUCFFR-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263045 1259359404 /nfs/dbraw/zinc/35/94/04/1259359404.db2.gz ZEYZPABVWUCFFR-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263045 1259359407 /nfs/dbraw/zinc/35/94/07/1259359407.db2.gz ZEYZPABVWUCFFR-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001200547482 1259416131 /nfs/dbraw/zinc/41/61/31/1259416131.db2.gz NQHGNOHFNIYVKD-HYVNUMGLSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001200651823 1259418801 /nfs/dbraw/zinc/41/88/01/1259418801.db2.gz NTEKJFGMLAHYCX-OKZBNKHCSA-N 2 1 371.522 0.321 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCOCCNC(C)=O)CC2)CC[N@H+]1C ZINC001200651991 1259419099 /nfs/dbraw/zinc/41/90/99/1259419099.db2.gz VHZIXMWVIFOISO-ZWKOTPCHSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)nc2)CC1)N1CCNCC1 ZINC001235299912 1259568574 /nfs/dbraw/zinc/56/85/74/1259568574.db2.gz YZPASICQAMBAPU-UHFFFAOYSA-N 2 1 372.517 0.135 20 0 FCADMP c1cc(C[N@@H+]2CCCO[C@@]3(CNCCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199940 1259568917 /nfs/dbraw/zinc/56/89/17/1259568917.db2.gz JWJPOHMXTHGAKA-FQEVSTJZSA-N 2 1 360.502 0.677 20 0 FCADMP c1cc(C[N@H+]2CCCO[C@@]3(CNCCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199940 1259568925 /nfs/dbraw/zinc/56/89/25/1259568925.db2.gz JWJPOHMXTHGAKA-FQEVSTJZSA-N 2 1 360.502 0.677 20 0 FCADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](CCCC[NH3+])C2 ZINC001235455783 1259572542 /nfs/dbraw/zinc/57/25/42/1259572542.db2.gz YQJGXXXDRTUOKA-IBGZPJMESA-N 2 1 374.489 0.595 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)O1 ZINC001235591811 1259578588 /nfs/dbraw/zinc/57/85/88/1259578588.db2.gz CKKRRZUJNRJJAF-NCOADZHNSA-N 2 1 367.490 0.154 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)O1 ZINC001235591811 1259578597 /nfs/dbraw/zinc/57/85/97/1259578597.db2.gz CKKRRZUJNRJJAF-NCOADZHNSA-N 2 1 367.490 0.154 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccncc4)[C@H]3C2)O1 ZINC001235616935 1259580730 /nfs/dbraw/zinc/58/07/30/1259580730.db2.gz TZNMOCIIWWCDFA-XLAORIBOSA-N 2 1 374.485 0.873 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccncc4)[C@H]3C2)O1 ZINC001235616935 1259580737 /nfs/dbraw/zinc/58/07/37/1259580737.db2.gz TZNMOCIIWWCDFA-XLAORIBOSA-N 2 1 374.485 0.873 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH3+])(c4ccccc4)CC3)C[C@@H]21 ZINC001335303743 1259597603 /nfs/dbraw/zinc/59/76/03/1259597603.db2.gz ZYCWGQNICCRMJS-AEFFLSMTSA-N 2 1 370.497 0.668 20 0 FCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1nnnn1CCC[NH+]1CCOCC1 ZINC001335344299 1259616993 /nfs/dbraw/zinc/61/69/93/1259616993.db2.gz WPNBRBCXPDZWNG-INIZCTEOSA-N 2 1 351.499 0.706 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1nnnn1CCC[NH+]1CCOCC1 ZINC001335344299 1259617005 /nfs/dbraw/zinc/61/70/05/1259617005.db2.gz WPNBRBCXPDZWNG-INIZCTEOSA-N 2 1 351.499 0.706 20 0 FCADMP O[C@@]1(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981010 1259642442 /nfs/dbraw/zinc/64/24/42/1259642442.db2.gz PKFZBNLENLLTBG-CTNGQTDRSA-N 3 1 358.530 0.802 20 0 FCADMP O[C@@]1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981010 1259642455 /nfs/dbraw/zinc/64/24/55/1259642455.db2.gz PKFZBNLENLLTBG-CTNGQTDRSA-N 4 1 358.530 0.802 20 0 FCADMP O[C@@]1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981010 1259642466 /nfs/dbraw/zinc/64/24/66/1259642466.db2.gz PKFZBNLENLLTBG-CTNGQTDRSA-N 4 1 358.530 0.802 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC12C[NH2+]C2 ZINC001246060169 1259645112 /nfs/dbraw/zinc/64/51/12/1259645112.db2.gz NDNWKAJTQGWMQV-FGTMMUONSA-N 3 1 361.486 0.392 20 0 FCADMP O=c1ccc2c(n1CCN1CCOCC1)CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246157485 1259649740 /nfs/dbraw/zinc/64/97/40/1259649740.db2.gz OUTPXLPTWCTOAS-ROUUACIJSA-N 2 1 360.502 0.379 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)CN1 ZINC001246199915 1259650438 /nfs/dbraw/zinc/65/04/38/1259650438.db2.gz YXHBHEBSJCKIMH-OALUTQOASA-N 2 1 360.502 0.817 20 0 FCADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)C[NH2+]1 ZINC001246156086 1259650670 /nfs/dbraw/zinc/65/06/70/1259650670.db2.gz HISHTCSXIGWNEY-NEWSRXKRSA-N 2 1 374.529 0.768 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CN1 ZINC001246485399 1259654292 /nfs/dbraw/zinc/65/42/92/1259654292.db2.gz KSCLCBVGPWVALJ-BBWFWOEESA-N 2 1 363.458 0.721 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246638712 1259657239 /nfs/dbraw/zinc/65/72/39/1259657239.db2.gz CIMISWKZJOCLDO-GOSISDBHSA-N 2 1 367.490 0.679 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246665089 1259658725 /nfs/dbraw/zinc/65/87/25/1259658725.db2.gz AOGDVXPKGNGAQY-TVRAHDOYSA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680343 1259660095 /nfs/dbraw/zinc/66/00/95/1259660095.db2.gz VVDCILSAQCHQHO-LQDAGBJNSA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)C[NH2+]1 ZINC001246680343 1259660109 /nfs/dbraw/zinc/66/01/09/1259660109.db2.gz VVDCILSAQCHQHO-LQDAGBJNSA-N 2 1 365.474 0.001 20 0 FCADMP O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246700163 1259663033 /nfs/dbraw/zinc/66/30/33/1259663033.db2.gz BVSZPLLYMHAJKL-BZZMCLGOSA-N 2 1 371.485 0.594 20 0 FCADMP O=C1[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001246704536 1259664201 /nfs/dbraw/zinc/66/42/01/1259664201.db2.gz HMXHVMGDMDEYNC-KBAYOESNSA-N 2 1 358.461 0.810 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)CN1 ZINC001246723054 1259668091 /nfs/dbraw/zinc/66/80/91/1259668091.db2.gz QDBFFYHRQNXXFI-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)CN1 ZINC001246723054 1259668102 /nfs/dbraw/zinc/66/81/02/1259668102.db2.gz QDBFFYHRQNXXFI-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)CN1 ZINC001246723054 1259668111 /nfs/dbraw/zinc/66/81/11/1259668111.db2.gz QDBFFYHRQNXXFI-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)CN1 ZINC001246723054 1259668122 /nfs/dbraw/zinc/66/81/22/1259668122.db2.gz QDBFFYHRQNXXFI-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP O=C1CO[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2N1c1cccc(F)c1 ZINC001246746899 1259677050 /nfs/dbraw/zinc/67/70/50/1259677050.db2.gz PORTWPWWESCOTH-BRWVUGGUSA-N 2 1 360.433 0.336 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246744823 1259678441 /nfs/dbraw/zinc/67/84/41/1259678441.db2.gz LTVVCOONFRCBAF-MIALQEHNSA-N 2 1 372.517 0.976 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246751227 1259679795 /nfs/dbraw/zinc/67/97/95/1259679795.db2.gz OGKPPUDCBYETGI-JWTNVVGKSA-N 2 1 364.534 0.772 20 0 FCADMP Cn1ccc(C[N@@H+]2CCCC23CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754325 1259681317 /nfs/dbraw/zinc/68/13/17/1259681317.db2.gz QFQWGVXGKMEITB-SFHVURJKSA-N 2 1 358.534 0.945 20 0 FCADMP Cn1ccc(C[N@H+]2CCCC23CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754325 1259681328 /nfs/dbraw/zinc/68/13/28/1259681328.db2.gz QFQWGVXGKMEITB-SFHVURJKSA-N 2 1 358.534 0.945 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246773493 1259688898 /nfs/dbraw/zinc/68/88/98/1259688898.db2.gz KYAHAXJGEHNUGL-QGZVFWFLSA-N 3 1 374.533 0.451 20 0 FCADMP c1nc(C[NH2+]C2CCOCC2)c2n1CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246773493 1259688908 /nfs/dbraw/zinc/68/89/08/1259688908.db2.gz KYAHAXJGEHNUGL-QGZVFWFLSA-N 3 1 374.533 0.451 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856589 1259692803 /nfs/dbraw/zinc/69/28/03/1259692803.db2.gz FGAGNSZCPLKIJY-LQDAGBJNSA-N 2 1 365.474 0.001 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891328 1259692818 /nfs/dbraw/zinc/69/28/18/1259692818.db2.gz ANPMWVIIRXYNFC-MSOLQXFVSA-N 2 1 358.486 0.440 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891328 1259692819 /nfs/dbraw/zinc/69/28/19/1259692819.db2.gz ANPMWVIIRXYNFC-MSOLQXFVSA-N 2 1 358.486 0.440 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246856594 1259692862 /nfs/dbraw/zinc/69/28/62/1259692862.db2.gz FGAGNSZCPLKIJY-XJCMGKNESA-N 2 1 365.474 0.001 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246945475 1259697129 /nfs/dbraw/zinc/69/71/29/1259697129.db2.gz YTTFHKVHTPXKRS-IBGZPJMESA-N 3 1 366.550 0.531 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253184469 1259827018 /nfs/dbraw/zinc/82/70/18/1259827018.db2.gz GCXIIRRWWJEOPA-XWTMOSNGSA-N 2 1 369.506 0.580 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253184469 1259827019 /nfs/dbraw/zinc/82/70/19/1259827019.db2.gz GCXIIRRWWJEOPA-XWTMOSNGSA-N 2 1 369.506 0.580 20 0 FCADMP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335791163 1259840332 /nfs/dbraw/zinc/84/03/32/1259840332.db2.gz SGFUYHUVUNSKPG-DZGCQCFKSA-N 2 1 362.478 0.173 20 0 FCADMP C[N@@H+](CC(=O)N1CCOCC1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254029599 1259869352 /nfs/dbraw/zinc/86/93/52/1259869352.db2.gz JEJZXVBENDKVQM-UHFFFAOYSA-N 2 1 361.486 0.804 20 0 FCADMP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254505743 1259887999 /nfs/dbraw/zinc/88/79/99/1259887999.db2.gz IFYMPCCTILXKFG-PBHICJAKSA-N 2 1 365.474 0.927 20 0 FCADMP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254505743 1259888002 /nfs/dbraw/zinc/88/80/02/1259888002.db2.gz IFYMPCCTILXKFG-PBHICJAKSA-N 2 1 365.474 0.927 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001336035037 1259953399 /nfs/dbraw/zinc/95/33/99/1259953399.db2.gz MNUOBZPXQHEPLB-PKOBYXMFSA-N 2 1 365.522 0.321 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCN(CC[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256495145 1259953397 /nfs/dbraw/zinc/95/33/97/1259953397.db2.gz SCVZYIPOIVQQCX-CABCVRRESA-N 2 1 370.494 0.504 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858231 1259975686 /nfs/dbraw/zinc/97/56/86/1259975686.db2.gz CUWKOTZGSYCDEW-IBGZPJMESA-N 2 1 357.458 0.473 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001257150187 1259998944 /nfs/dbraw/zinc/99/89/44/1259998944.db2.gz JQBSKWNLGDTLSO-DOTOQJQBSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001257150187 1259998950 /nfs/dbraw/zinc/99/89/50/1259998950.db2.gz JQBSKWNLGDTLSO-DOTOQJQBSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001257150187 1259998956 /nfs/dbraw/zinc/99/89/56/1259998956.db2.gz JQBSKWNLGDTLSO-DOTOQJQBSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001257215269 1260003084 /nfs/dbraw/zinc/00/30/84/1260003084.db2.gz CJLLLNXWNVXLSL-KZNAEPCWSA-N 2 1 351.491 0.950 20 0 FCADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001257215269 1260003092 /nfs/dbraw/zinc/00/30/92/1260003092.db2.gz CJLLLNXWNVXLSL-KZNAEPCWSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnc(CC[NH+]3CCC(C(N)=O)CC3)o2)C[C@H](C)O1 ZINC001258072924 1260033942 /nfs/dbraw/zinc/03/39/42/1260033942.db2.gz WMBQXUKVTLAKMU-OKILXGFUSA-N 2 1 365.478 0.461 20 0 FCADMP C[C@@H]1C[N@H+](CCc2nnc(CC[NH+]3CCC(C(N)=O)CC3)o2)C[C@H](C)O1 ZINC001258072924 1260033948 /nfs/dbraw/zinc/03/39/48/1260033948.db2.gz WMBQXUKVTLAKMU-OKILXGFUSA-N 2 1 365.478 0.461 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192814 1260034917 /nfs/dbraw/zinc/03/49/17/1260034917.db2.gz IVZQCYVPEPFXSM-RBSFLKMASA-N 2 1 352.479 0.653 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C[C@H]2C1 ZINC001336268329 1260063061 /nfs/dbraw/zinc/06/30/61/1260063061.db2.gz VHEIAHFGVPBBET-RRFJBIMHSA-N 2 1 350.463 0.707 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC001261452307 1260141087 /nfs/dbraw/zinc/14/10/87/1260141087.db2.gz ZJFOFMVLMGRNIE-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261524292 1260154621 /nfs/dbraw/zinc/15/46/21/1260154621.db2.gz VOWFRZKXUQSABS-HRCADAONSA-N 2 1 363.462 0.053 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001336719869 1260206925 /nfs/dbraw/zinc/20/69/25/1260206925.db2.gz AUWSSXDNDOCUCR-IAGOWNOFSA-N 2 1 368.522 0.801 20 0 FCADMP C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H]1CC[NH3+] ZINC001336819694 1260230076 /nfs/dbraw/zinc/23/00/76/1260230076.db2.gz FQYRNWLZYZLKRI-GDBMZVCRSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262046427 1260250999 /nfs/dbraw/zinc/25/09/99/1260250999.db2.gz QIQMFLBUPHMTFK-QYZOEREBSA-N 2 1 366.550 0.925 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001262059260 1260252571 /nfs/dbraw/zinc/25/25/71/1260252571.db2.gz UGGKIKBRPIMQSQ-KBXCAEBGSA-N 2 1 369.469 0.775 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC001262063963 1260254158 /nfs/dbraw/zinc/25/41/58/1260254158.db2.gz NQZFHSKTISUGRX-NXOAAHMSSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024553 1260288625 /nfs/dbraw/zinc/28/86/25/1260288625.db2.gz UFRLTRMTSLRWTC-QWHCGFSZSA-N 2 1 351.417 0.606 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)cc2)CC1 ZINC001337048085 1260295037 /nfs/dbraw/zinc/29/50/37/1260295037.db2.gz PMNYMONJFMWLLA-GOSISDBHSA-N 2 1 373.501 0.976 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)cc2)CC1 ZINC001337048085 1260295043 /nfs/dbraw/zinc/29/50/43/1260295043.db2.gz PMNYMONJFMWLLA-GOSISDBHSA-N 2 1 373.501 0.976 20 0 FCADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337078529 1260302914 /nfs/dbraw/zinc/30/29/14/1260302914.db2.gz YWYYEXFABWRZJS-IRXDYDNUSA-N 2 1 354.539 0.923 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)CC1 ZINC001263099711 1260339409 /nfs/dbraw/zinc/33/94/09/1260339409.db2.gz RHQFFGUVBJVRPI-AWEZNQCLSA-N 2 1 362.478 0.001 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001264005096 1260362320 /nfs/dbraw/zinc/36/23/20/1260362320.db2.gz NJTCQEJSUDAWLT-CABCVRRESA-N 2 1 369.510 0.391 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1)CC(C)(C)C ZINC001264652004 1260392001 /nfs/dbraw/zinc/39/20/01/1260392001.db2.gz PYSORBFCFCSLKK-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)CC(C)(C)C ZINC001264652004 1260392009 /nfs/dbraw/zinc/39/20/09/1260392009.db2.gz PYSORBFCFCSLKK-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)CC(C)(C)C ZINC001264652004 1260392017 /nfs/dbraw/zinc/39/20/17/1260392017.db2.gz PYSORBFCFCSLKK-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332076154 1266331157 /nfs/dbraw/zinc/33/11/57/1266331157.db2.gz BQBVBFCSODXJJF-RBUKOAKNSA-N 2 1 360.502 0.469 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)cc2)CC1 ZINC001337602004 1260438036 /nfs/dbraw/zinc/43/80/36/1260438036.db2.gz RALLZIWHNJLOQL-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)cc2)CC1 ZINC001337602004 1260438042 /nfs/dbraw/zinc/43/80/42/1260438042.db2.gz RALLZIWHNJLOQL-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@@H]2C1 ZINC001337805833 1260488241 /nfs/dbraw/zinc/48/82/41/1260488241.db2.gz OKDKZLCVNANEKF-JYJNAYRXSA-N 3 1 363.506 0.622 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@@H]2C1 ZINC001337805833 1260488267 /nfs/dbraw/zinc/48/82/67/1260488267.db2.gz OKDKZLCVNANEKF-JYJNAYRXSA-N 2 1 363.506 0.622 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@@H]2CCCC[N@H+]2C)C3)CC1 ZINC001273136551 1260600044 /nfs/dbraw/zinc/60/00/44/1260600044.db2.gz DJPQXRXLENYTOB-SJORKVTESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCCC3)C[C@H]21 ZINC001273141772 1260607127 /nfs/dbraw/zinc/60/71/27/1260607127.db2.gz SWVKENURBNLUGQ-QRVBRYPASA-N 2 1 364.534 0.867 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249415 1260635146 /nfs/dbraw/zinc/63/51/46/1260635146.db2.gz VFGYFXKDMHISET-FGTMMUONSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249415 1260635154 /nfs/dbraw/zinc/63/51/54/1260635154.db2.gz VFGYFXKDMHISET-FGTMMUONSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249415 1260635162 /nfs/dbraw/zinc/63/51/62/1260635162.db2.gz VFGYFXKDMHISET-FGTMMUONSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273253921 1260636019 /nfs/dbraw/zinc/63/60/19/1260636019.db2.gz HEBQJIIIWJHXDI-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[C@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273253921 1260636024 /nfs/dbraw/zinc/63/60/24/1260636024.db2.gz HEBQJIIIWJHXDI-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273253921 1260636032 /nfs/dbraw/zinc/63/60/32/1260636032.db2.gz HEBQJIIIWJHXDI-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001273272743 1260645606 /nfs/dbraw/zinc/64/56/06/1260645606.db2.gz MQPBDWAHRSXRFO-TWOQFEAHSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273312070 1260655705 /nfs/dbraw/zinc/65/57/05/1260655705.db2.gz BUUWZGMANXLQBH-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778679 1260669703 /nfs/dbraw/zinc/66/97/03/1260669703.db2.gz RBOXWCGMTCLLIY-HKUYNNGSSA-N 2 1 371.522 0.277 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCOC)CC3)[C@H]2C1 ZINC001278272137 1260688943 /nfs/dbraw/zinc/68/89/43/1260688943.db2.gz GCJZARNUZNONII-HOTGVXAUSA-N 2 1 361.490 0.562 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@H](C1)O2 ZINC001278463893 1260695012 /nfs/dbraw/zinc/69/50/12/1260695012.db2.gz NELIQAWTKWAMCX-OTWHNJEPSA-N 2 1 363.502 0.809 20 0 FCADMP CCC1(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)[C@@H]2CC3CC[NH+]2CC3)COC1 ZINC001278472506 1260696220 /nfs/dbraw/zinc/69/62/20/1260696220.db2.gz OTICTPUBMNKHAL-KSZLIROESA-N 2 1 363.502 0.809 20 0 FCADMP CCC1(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)[C@@H]2CC3CC[NH+]2CC3)COC1 ZINC001278472506 1260696224 /nfs/dbraw/zinc/69/62/24/1260696224.db2.gz OTICTPUBMNKHAL-KSZLIROESA-N 2 1 363.502 0.809 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001332156634 1266347764 /nfs/dbraw/zinc/34/77/64/1266347764.db2.gz JWALSUWSUQUGHG-UHFFFAOYSA-N 2 1 358.450 0.335 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001278790864 1260732763 /nfs/dbraw/zinc/73/27/63/1260732763.db2.gz KKTNNLUDYWYKQT-UHFFFAOYSA-N 2 1 358.486 0.984 20 0 FCADMP CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001278993783 1260769947 /nfs/dbraw/zinc/76/99/47/1260769947.db2.gz MKHZKURDMNSRSL-UHFFFAOYSA-N 2 1 360.502 0.833 20 0 FCADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)[nH]1 ZINC001279303929 1260830651 /nfs/dbraw/zinc/83/06/51/1260830651.db2.gz TZBYQDWPBOKCMT-HUUCEWRRSA-N 2 1 360.458 0.834 20 0 FCADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)[nH]1 ZINC001279303929 1260830659 /nfs/dbraw/zinc/83/06/59/1260830659.db2.gz TZBYQDWPBOKCMT-HUUCEWRRSA-N 2 1 360.458 0.834 20 0 FCADMP O=c1[nH]cc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834557 /nfs/dbraw/zinc/83/45/57/1260834557.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 2 1 358.446 0.928 20 0 FCADMP O=c1[nH]cc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834576 /nfs/dbraw/zinc/83/45/76/1260834576.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 2 1 358.446 0.928 20 0 FCADMP O=c1[nH]cc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834592 /nfs/dbraw/zinc/83/45/92/1260834592.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 2 1 358.446 0.928 20 0 FCADMP COC(=O)c1ccnc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)c1 ZINC001279342790 1260844511 /nfs/dbraw/zinc/84/45/11/1260844511.db2.gz CWCVQDNODZDFQF-HOTGVXAUSA-N 2 1 358.442 0.510 20 0 FCADMP COC(=O)c1ccnc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)c1 ZINC001279342790 1260844518 /nfs/dbraw/zinc/84/45/18/1260844518.db2.gz CWCVQDNODZDFQF-HOTGVXAUSA-N 2 1 358.442 0.510 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[N@H+](C[C@@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001279502249 1260881078 /nfs/dbraw/zinc/88/10/78/1260881078.db2.gz PDJGMFPAURMNBD-SOLBZPMBSA-N 2 1 358.486 0.873 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001279502249 1260881082 /nfs/dbraw/zinc/88/10/82/1260881082.db2.gz PDJGMFPAURMNBD-SOLBZPMBSA-N 2 1 358.486 0.873 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001279502249 1260881088 /nfs/dbraw/zinc/88/10/88/1260881088.db2.gz PDJGMFPAURMNBD-SOLBZPMBSA-N 2 1 358.486 0.873 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001279502249 1260881094 /nfs/dbraw/zinc/88/10/94/1260881094.db2.gz PDJGMFPAURMNBD-SOLBZPMBSA-N 2 1 358.486 0.873 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc2c1OCO2 ZINC001279613542 1260899246 /nfs/dbraw/zinc/89/92/46/1260899246.db2.gz GNBTXIXDCMEABE-IYBDPMFKSA-N 2 1 363.458 0.871 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc2c1OCO2 ZINC001279613542 1260899251 /nfs/dbraw/zinc/89/92/51/1260899251.db2.gz GNBTXIXDCMEABE-IYBDPMFKSA-N 2 1 363.458 0.871 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]21 ZINC001279674034 1260912724 /nfs/dbraw/zinc/91/27/24/1260912724.db2.gz GKFBWEFVQJNEQY-IRXDYDNUSA-N 2 1 357.462 0.313 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1C[N@@H+](CCOC)C[C@H]1c1cn(C)cn1 ZINC001279722560 1260922253 /nfs/dbraw/zinc/92/22/53/1260922253.db2.gz QKFYLZAGVQITHJ-IAGOWNOFSA-N 2 1 365.522 0.882 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@H+](Cc4cc[nH]n4)C[C@@H]3O2)CC1 ZINC001279916099 1260960321 /nfs/dbraw/zinc/96/03/21/1260960321.db2.gz OAFMNRSOFWXKKX-OLMNPRSZSA-N 2 1 361.490 0.942 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4cc[nH]n4)C[C@@H]3O2)CC1 ZINC001279916099 1260960324 /nfs/dbraw/zinc/96/03/24/1260960324.db2.gz OAFMNRSOFWXKKX-OLMNPRSZSA-N 2 1 361.490 0.942 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025615 1260980527 /nfs/dbraw/zinc/98/05/27/1260980527.db2.gz GBBQPGZFXPCDBO-JHNDHUHGSA-N 2 1 367.490 0.485 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991357 /nfs/dbraw/zinc/99/13/57/1260991357.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 3 1 359.518 0.933 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001280076007 1260992185 /nfs/dbraw/zinc/99/21/85/1260992185.db2.gz VLXKWQTVRMDLAB-IRXDYDNUSA-N 2 1 362.518 0.920 20 0 FCADMP COCOCCC[N@@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280090703 1260998172 /nfs/dbraw/zinc/99/81/72/1260998172.db2.gz YDYFVEUYEXOJMV-JKSUJKDBSA-N 2 1 368.478 0.236 20 0 FCADMP COCCC[N@H+]1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)cn2)C1 ZINC001280096152 1261000032 /nfs/dbraw/zinc/00/00/32/1261000032.db2.gz KYPJBDAXFXVPGA-IAGOWNOFSA-N 2 1 363.506 0.682 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC001280093630 1261000039 /nfs/dbraw/zinc/00/00/39/1261000039.db2.gz RVVGYWIZRUASJU-HZPDHXFCSA-N 2 1 357.458 0.187 20 0 FCADMP Cn1cnc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C(=O)NCC2COC2)c1 ZINC001280138342 1261014323 /nfs/dbraw/zinc/01/43/23/1261014323.db2.gz WQRXTEOAJBAVPN-IAGOWNOFSA-N 2 1 361.490 0.198 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CC2CC[NH2+]CC2)cn1 ZINC001280138416 1261014657 /nfs/dbraw/zinc/01/46/57/1261014657.db2.gz YPWIUARVSBCNMB-QFBILLFUSA-N 3 1 360.506 0.847 20 0 FCADMP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280173137 1261020477 /nfs/dbraw/zinc/02/04/77/1261020477.db2.gz KKXFQVIEUGCWLH-IAGOWNOFSA-N 2 1 359.474 0.163 20 0 FCADMP CC(C)(CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280189842 1261025983 /nfs/dbraw/zinc/02/59/83/1261025983.db2.gz ZXLOPQOOCKTDMZ-HZPDHXFCSA-N 2 1 361.490 0.441 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280215144 1261036719 /nfs/dbraw/zinc/03/67/19/1261036719.db2.gz KYIJLQAFZNFAQV-HOTGVXAUSA-N 2 1 359.474 0.163 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280215144 1261036726 /nfs/dbraw/zinc/03/67/26/1261036726.db2.gz KYIJLQAFZNFAQV-HOTGVXAUSA-N 2 1 359.474 0.163 20 0 FCADMP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280221019 1261038739 /nfs/dbraw/zinc/03/87/39/1261038739.db2.gz LZSBKDGOQIFWJQ-QZTJIDSGSA-N 2 1 359.518 0.979 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280221019 1261038744 /nfs/dbraw/zinc/03/87/44/1261038744.db2.gz LZSBKDGOQIFWJQ-QZTJIDSGSA-N 3 1 359.518 0.979 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280221019 1261038747 /nfs/dbraw/zinc/03/87/47/1261038747.db2.gz LZSBKDGOQIFWJQ-QZTJIDSGSA-N 3 1 359.518 0.979 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+]4CCCC4)CC3)[C@H]2C1 ZINC001280223455 1261039541 /nfs/dbraw/zinc/03/95/41/1261039541.db2.gz KTOIDNWKUQKLLS-ROUUACIJSA-N 2 1 363.550 0.156 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC[C@]12CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255143 1261041796 /nfs/dbraw/zinc/04/17/96/1261041796.db2.gz FBGXTBCERNQJGV-HDMKZQKVSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC[C@]12CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280255143 1261041799 /nfs/dbraw/zinc/04/17/99/1261041799.db2.gz FBGXTBCERNQJGV-HDMKZQKVSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC[C@]12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280255143 1261041803 /nfs/dbraw/zinc/04/18/03/1261041803.db2.gz FBGXTBCERNQJGV-HDMKZQKVSA-N 2 1 361.494 0.983 20 0 FCADMP C[C@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC001332499178 1266418089 /nfs/dbraw/zinc/41/80/89/1266418089.db2.gz TWRUVIOFWQWZSD-MRXNPFEDSA-N 2 1 363.510 0.706 20 0 FCADMP C[C@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC001332499178 1266418093 /nfs/dbraw/zinc/41/80/93/1266418093.db2.gz TWRUVIOFWQWZSD-MRXNPFEDSA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001580290308 1278095159 /nfs/dbraw/zinc/09/51/59/1278095159.db2.gz FUXALLYCTMDKJH-QWHCGFSZSA-N 2 1 358.450 0.475 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001284579478 1261768184 /nfs/dbraw/zinc/76/81/84/1261768184.db2.gz WDPTVGDSHPWPPE-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001284579478 1261768187 /nfs/dbraw/zinc/76/81/87/1261768187.db2.gz WDPTVGDSHPWPPE-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP [NH3+]CCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001580301753 1278108919 /nfs/dbraw/zinc/10/89/19/1278108919.db2.gz GVNIOSFFLPWWGT-OAHLLOKOSA-N 2 1 359.478 0.781 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001580345206 1278142905 /nfs/dbraw/zinc/14/29/05/1278142905.db2.gz IBSYOIQMQYVGOF-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580345206 1278142909 /nfs/dbraw/zinc/14/29/09/1278142909.db2.gz IBSYOIQMQYVGOF-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001580345206 1278142916 /nfs/dbraw/zinc/14/29/16/1278142916.db2.gz IBSYOIQMQYVGOF-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580353879 1278156228 /nfs/dbraw/zinc/15/62/28/1278156228.db2.gz BPKMBYVGGGCUSS-YRGRVCCFSA-N 2 1 356.434 0.154 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580353879 1278156244 /nfs/dbraw/zinc/15/62/44/1278156244.db2.gz BPKMBYVGGGCUSS-YRGRVCCFSA-N 2 1 356.434 0.154 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580376569 1278187623 /nfs/dbraw/zinc/18/76/23/1278187623.db2.gz CXMNDSDINQZRLP-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580376836 1278188743 /nfs/dbraw/zinc/18/87/43/1278188743.db2.gz JDCTXKYGUQISRY-NFAWXSAZSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580376836 1278188745 /nfs/dbraw/zinc/18/87/45/1278188745.db2.gz JDCTXKYGUQISRY-NFAWXSAZSA-N 2 1 370.461 0.687 20 0 FCADMP COCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001316130846 1263373298 /nfs/dbraw/zinc/37/32/98/1263373298.db2.gz YMQFMHDOPCQCIG-OAHLLOKOSA-N 2 1 361.494 0.992 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758241 1263464202 /nfs/dbraw/zinc/46/42/02/1263464202.db2.gz SMFJEOPCCQXWCR-SQNIBIBYSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758241 1263464210 /nfs/dbraw/zinc/46/42/10/1263464210.db2.gz SMFJEOPCCQXWCR-SQNIBIBYSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758241 1263464219 /nfs/dbraw/zinc/46/42/19/1263464219.db2.gz SMFJEOPCCQXWCR-SQNIBIBYSA-N 2 1 363.506 0.366 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001318863442 1263619141 /nfs/dbraw/zinc/61/91/41/1263619141.db2.gz WBYVOOZAEARODG-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372659 1263720130 /nfs/dbraw/zinc/72/01/30/1263720130.db2.gz OWXFCGGJRVHJML-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372659 1263720137 /nfs/dbraw/zinc/72/01/37/1263720137.db2.gz OWXFCGGJRVHJML-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372659 1263720143 /nfs/dbraw/zinc/72/01/43/1263720143.db2.gz OWXFCGGJRVHJML-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372659 1263720147 /nfs/dbraw/zinc/72/01/47/1263720147.db2.gz OWXFCGGJRVHJML-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580387971 1278210649 /nfs/dbraw/zinc/21/06/49/1278210649.db2.gz JUMMZMYGBKTXDG-MGPQQGTHSA-N 2 1 370.461 0.544 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@H+]1C ZINC001580387960 1278210800 /nfs/dbraw/zinc/21/08/00/1278210800.db2.gz JPSPQQDANYLCNA-AXAPSJFSSA-N 2 1 370.461 0.331 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001321344929 1263940965 /nfs/dbraw/zinc/94/09/65/1263940965.db2.gz XQIXCIZJMIJYOQ-HOTGVXAUSA-N 2 1 362.474 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580387930 1278211542 /nfs/dbraw/zinc/21/15/42/1278211542.db2.gz HZGDXHFLTPHWAD-HZSPNIEDSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580387930 1278211545 /nfs/dbraw/zinc/21/15/45/1278211545.db2.gz HZGDXHFLTPHWAD-HZSPNIEDSA-N 2 1 370.461 0.687 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001322314924 1264181414 /nfs/dbraw/zinc/18/14/14/1264181414.db2.gz KQVPVCJYLKAQSH-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001322314924 1264181417 /nfs/dbraw/zinc/18/14/17/1264181417.db2.gz KQVPVCJYLKAQSH-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001322732571 1264251273 /nfs/dbraw/zinc/25/12/73/1264251273.db2.gz HJFKRDGPXOTJQU-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(C)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001504909236 1264253059 /nfs/dbraw/zinc/25/30/59/1264253059.db2.gz BNXDSJCLODJWEN-OAHLLOKOSA-N 2 1 368.551 0.792 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777751 1264262974 /nfs/dbraw/zinc/26/29/74/1264262974.db2.gz BACQFRMVQFGVQF-AWEZNQCLSA-N 2 1 372.460 0.775 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777751 1264262977 /nfs/dbraw/zinc/26/29/77/1264262977.db2.gz BACQFRMVQFGVQF-AWEZNQCLSA-N 2 1 372.460 0.775 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC001322810995 1264273097 /nfs/dbraw/zinc/27/30/97/1264273097.db2.gz HTOFXMWAQRJFER-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580400591 1278225487 /nfs/dbraw/zinc/22/54/87/1278225487.db2.gz GJNXSMVCRPRARV-ABAIWWIYSA-N 2 1 361.425 0.694 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001512829549 1264679956 /nfs/dbraw/zinc/67/99/56/1264679956.db2.gz UVMLDYKGAZDISU-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014706 1265044182 /nfs/dbraw/zinc/04/41/82/1265044182.db2.gz ZZOPBQAEVYRRDW-CQSZACIVSA-N 2 1 361.494 0.101 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014706 1265044185 /nfs/dbraw/zinc/04/41/85/1265044185.db2.gz ZZOPBQAEVYRRDW-CQSZACIVSA-N 3 1 361.494 0.101 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580405829 1278241839 /nfs/dbraw/zinc/24/18/39/1278241839.db2.gz KFZAJAVPJRHYSJ-NEPJUHHUSA-N 2 1 363.491 0.864 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001326058470 1265053505 /nfs/dbraw/zinc/05/35/05/1265053505.db2.gz UTRROSTWWBTBLL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001326058470 1265053517 /nfs/dbraw/zinc/05/35/17/1265053517.db2.gz UTRROSTWWBTBLL-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001513430404 1265120163 /nfs/dbraw/zinc/12/01/63/1265120163.db2.gz XWAPHTPCULKEDM-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001513430404 1265120166 /nfs/dbraw/zinc/12/01/66/1265120166.db2.gz XWAPHTPCULKEDM-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001513430404 1265120170 /nfs/dbraw/zinc/12/01/70/1265120170.db2.gz XWAPHTPCULKEDM-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001326971011 1265210806 /nfs/dbraw/zinc/21/08/06/1265210806.db2.gz XNGVLMRBQRMWPX-KRWDZBQOSA-N 2 1 357.458 0.427 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCOC(C)(C)C1 ZINC001327076874 1265231520 /nfs/dbraw/zinc/23/15/20/1265231520.db2.gz SPNMEURVWWDHGD-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001327182763 1265248461 /nfs/dbraw/zinc/24/84/61/1265248461.db2.gz ZXVKBTISYZVILN-IBGZPJMESA-N 2 1 358.486 0.469 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001327197493 1265250431 /nfs/dbraw/zinc/25/04/31/1265250431.db2.gz CGAUPTIGVNIHQC-INIZCTEOSA-N 2 1 364.490 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1C ZINC001327213419 1265256378 /nfs/dbraw/zinc/25/63/78/1265256378.db2.gz SJLGUASXZCNXDQ-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC[NH+]1C ZINC001327213419 1265256385 /nfs/dbraw/zinc/25/63/85/1265256385.db2.gz SJLGUASXZCNXDQ-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC[NH+]1C ZINC001327213419 1265256391 /nfs/dbraw/zinc/25/63/91/1265256391.db2.gz SJLGUASXZCNXDQ-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332673245 1266458814 /nfs/dbraw/zinc/45/88/14/1266458814.db2.gz SXDGCCSHDHSTHV-BXWFABGCSA-N 2 1 366.506 0.047 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333618735 1266653073 /nfs/dbraw/zinc/65/30/73/1266653073.db2.gz NBOOMKVPUDYRRP-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099764 1266944184 /nfs/dbraw/zinc/94/41/84/1266944184.db2.gz FGUJMXJOIYCCKR-ZWKOTPCHSA-N 2 1 363.550 0.251 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001532989932 1267193065 /nfs/dbraw/zinc/19/30/65/1267193065.db2.gz DJSNBJPGWXVUME-OAGGEKHMSA-N 2 1 358.502 0.923 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](n2nnnc2N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC001335012956 1267277860 /nfs/dbraw/zinc/27/78/60/1267277860.db2.gz LGXRZNSOSMJWJA-CQSZACIVSA-N 2 1 351.499 0.611 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](n2nnnc2N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC001335012956 1267277863 /nfs/dbraw/zinc/27/78/63/1267277863.db2.gz LGXRZNSOSMJWJA-CQSZACIVSA-N 2 1 351.499 0.611 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](n2nnnc2N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC001335012956 1267277874 /nfs/dbraw/zinc/27/78/74/1267277874.db2.gz LGXRZNSOSMJWJA-CQSZACIVSA-N 2 1 351.499 0.611 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001548368838 1267689546 /nfs/dbraw/zinc/68/95/46/1267689546.db2.gz KOIZXJNBOOOTFT-DOTOQJQBSA-N 2 1 357.462 0.582 20 0 FCADMP C[N@@H+]1C[C@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@H]2C1 ZINC001549008550 1267788537 /nfs/dbraw/zinc/78/85/37/1267788537.db2.gz SPNHXZBTPRFPDU-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1C[C@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@H]2C1 ZINC001549008550 1267788541 /nfs/dbraw/zinc/78/85/41/1267788541.db2.gz SPNHXZBTPRFPDU-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C[C@@H]2[NH3+])cn1 ZINC001549075888 1267799988 /nfs/dbraw/zinc/79/99/88/1267799988.db2.gz IPDNGOYWRWYZMO-BZSNNMDCSA-N 2 1 354.458 0.733 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C[C@@H]2[NH3+])cn1 ZINC001549075888 1267799994 /nfs/dbraw/zinc/79/99/94/1267799994.db2.gz IPDNGOYWRWYZMO-BZSNNMDCSA-N 2 1 354.458 0.733 20 0 FCADMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC001549113746 1267812941 /nfs/dbraw/zinc/81/29/41/1267812941.db2.gz UOBZFGJHLCPYSC-HNAYVOBHSA-N 2 1 360.458 0.625 20 0 FCADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC001549113746 1267812956 /nfs/dbraw/zinc/81/29/56/1267812956.db2.gz UOBZFGJHLCPYSC-HNAYVOBHSA-N 2 1 360.458 0.625 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001549349873 1267904146 /nfs/dbraw/zinc/90/41/46/1267904146.db2.gz MOFIPWFFPZBGRW-YESZJQIVSA-N 2 1 366.506 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001549349873 1267904150 /nfs/dbraw/zinc/90/41/50/1267904150.db2.gz MOFIPWFFPZBGRW-YESZJQIVSA-N 2 1 366.506 0.650 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001549349872 1267904387 /nfs/dbraw/zinc/90/43/87/1267904387.db2.gz MOFIPWFFPZBGRW-ULQDDVLXSA-N 2 1 366.506 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001549349872 1267904394 /nfs/dbraw/zinc/90/43/94/1267904394.db2.gz MOFIPWFFPZBGRW-ULQDDVLXSA-N 2 1 366.506 0.650 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001338435827 1267941093 /nfs/dbraw/zinc/94/10/93/1267941093.db2.gz BYJRYBQAIMXGID-QAPCUYQASA-N 2 1 373.501 0.729 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])c1 ZINC001549733517 1267981190 /nfs/dbraw/zinc/98/11/90/1267981190.db2.gz AUXOMNIMRJWGPM-KURKYZTESA-N 2 1 368.485 0.980 20 0 FCADMP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001549762475 1267996039 /nfs/dbraw/zinc/99/60/39/1267996039.db2.gz MKOBHJFUZOZFKJ-GVDBMIGSSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC001549762475 1267996042 /nfs/dbraw/zinc/99/60/42/1267996042.db2.gz MKOBHJFUZOZFKJ-GVDBMIGSSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001549762475 1267996061 /nfs/dbraw/zinc/99/60/61/1267996061.db2.gz MKOBHJFUZOZFKJ-GVDBMIGSSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001549762475 1267996067 /nfs/dbraw/zinc/99/60/67/1267996067.db2.gz MKOBHJFUZOZFKJ-GVDBMIGSSA-N 2 1 361.490 0.733 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@@H](O)C[C@H]3C2)cc1 ZINC001550024100 1268054386 /nfs/dbraw/zinc/05/43/86/1268054386.db2.gz XVYMJXRGHLRVLD-SQNIBIBYSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@@H](O)C[C@H]3C2)cc1 ZINC001550024100 1268054395 /nfs/dbraw/zinc/05/43/95/1268054395.db2.gz XVYMJXRGHLRVLD-SQNIBIBYSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@H]3C2)cc1 ZINC001550024100 1268054403 /nfs/dbraw/zinc/05/44/03/1268054403.db2.gz XVYMJXRGHLRVLD-SQNIBIBYSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@H+]3C[C@@H](O)C[C@H]3C2)cc1 ZINC001550024100 1268054415 /nfs/dbraw/zinc/05/44/15/1268054415.db2.gz XVYMJXRGHLRVLD-SQNIBIBYSA-N 2 1 374.485 0.730 20 0 FCADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)[C@H]2C1 ZINC001550062887 1268066210 /nfs/dbraw/zinc/06/62/10/1268066210.db2.gz IKDPHXABFYCMJX-WOPDTQHZSA-N 2 1 370.404 0.295 20 0 FCADMP CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@H+]1C ZINC001550064375 1268068400 /nfs/dbraw/zinc/06/84/00/1268068400.db2.gz FGFNUDDPOAPOSR-YYIAUSFCSA-N 2 1 363.506 0.463 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001550101996 1268073367 /nfs/dbraw/zinc/07/33/67/1268073367.db2.gz LZFRVQHIHAYXHT-QWFCFKBJSA-N 2 1 359.470 0.548 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001550101996 1268073375 /nfs/dbraw/zinc/07/33/75/1268073375.db2.gz LZFRVQHIHAYXHT-QWFCFKBJSA-N 2 1 359.470 0.548 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC001550093977 1268073780 /nfs/dbraw/zinc/07/37/80/1268073780.db2.gz DDWRUVLNYDRPRD-DLBZAZTESA-N 2 1 355.446 0.570 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC001550093977 1268073790 /nfs/dbraw/zinc/07/37/90/1268073790.db2.gz DDWRUVLNYDRPRD-DLBZAZTESA-N 2 1 355.446 0.570 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285448 1268104573 /nfs/dbraw/zinc/10/45/73/1268104573.db2.gz NZOJWHYFNDPQFM-SJORKVTESA-N 2 1 365.522 0.176 20 0 FCADMP Cn1cc(CN2CC[C@H]([NH+](C)C)C2)c(C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC001550366202 1268108425 /nfs/dbraw/zinc/10/84/25/1268108425.db2.gz CDWBEPGJYCOQEB-NUJGCVRESA-N 2 1 374.533 0.580 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC001550478242 1268124483 /nfs/dbraw/zinc/12/44/83/1268124483.db2.gz MIKBSILUEBSNEG-XPYUAMARSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)C2 ZINC001550485660 1268127346 /nfs/dbraw/zinc/12/73/46/1268127346.db2.gz BKNAPKUYBYARSF-FQQAFBJJSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C2 ZINC001550485660 1268127349 /nfs/dbraw/zinc/12/73/49/1268127349.db2.gz BKNAPKUYBYARSF-FQQAFBJJSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C2 ZINC001550485660 1268127354 /nfs/dbraw/zinc/12/73/54/1268127354.db2.gz BKNAPKUYBYARSF-FQQAFBJJSA-N 2 1 353.507 0.429 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541033 1268129847 /nfs/dbraw/zinc/12/98/47/1268129847.db2.gz PKJIDULFMAPSTR-IAGOWNOFSA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541033 1268129849 /nfs/dbraw/zinc/12/98/49/1268129849.db2.gz PKJIDULFMAPSTR-IAGOWNOFSA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541033 1268129852 /nfs/dbraw/zinc/12/98/52/1268129852.db2.gz PKJIDULFMAPSTR-IAGOWNOFSA-N 2 1 358.490 0.399 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550697333 1268153237 /nfs/dbraw/zinc/15/32/37/1268153237.db2.gz LXRYMMNZEZXWHQ-JFRXWTBNSA-N 2 1 352.523 0.220 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550697333 1268153242 /nfs/dbraw/zinc/15/32/42/1268153242.db2.gz LXRYMMNZEZXWHQ-JFRXWTBNSA-N 2 1 352.523 0.220 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550731426 1268157306 /nfs/dbraw/zinc/15/73/06/1268157306.db2.gz ODLODDKZTHMOPC-HZPDHXFCSA-N 2 1 352.479 0.119 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCCC12CC[NH2+]CC2 ZINC001550731929 1268157686 /nfs/dbraw/zinc/15/76/86/1268157686.db2.gz PRHQBAWYYHZBFS-UHFFFAOYSA-N 2 1 366.506 0.795 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC12CCC2 ZINC001550731681 1268157920 /nfs/dbraw/zinc/15/79/20/1268157920.db2.gz OGMZDMDUBTXNQI-OAHLLOKOSA-N 2 1 352.479 0.391 20 0 FCADMP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550739820 1268158847 /nfs/dbraw/zinc/15/88/47/1268158847.db2.gz DFNMCZKXVUNDPF-IKGGRYGDSA-N 2 1 366.506 0.650 20 0 FCADMP CN(C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1(C[NH3+])CCOCC1 ZINC001550741942 1268158914 /nfs/dbraw/zinc/15/89/14/1268158914.db2.gz JCZCKFJRLXWZEM-HOTGVXAUSA-N 2 1 366.506 0.779 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC(=O)N[C@H]2C1 ZINC001550744304 1268160549 /nfs/dbraw/zinc/16/05/49/1268160549.db2.gz XAZDQBOFQYAJPT-HZMVEIRTSA-N 2 1 357.458 0.004 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550758175 1268164430 /nfs/dbraw/zinc/16/44/30/1268164430.db2.gz FYSORFXVQKYWOG-OAHLLOKOSA-N 2 1 354.495 0.243 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551277976 1268220668 /nfs/dbraw/zinc/22/06/68/1268220668.db2.gz SCMLSQQANOCVKQ-LRYGQEGESA-N 2 1 368.522 0.728 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001339417227 1268233601 /nfs/dbraw/zinc/23/36/01/1268233601.db2.gz ROUPMBPEOKXAAW-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP CNC(=O)[C@@]12C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414965 1268240018 /nfs/dbraw/zinc/24/00/18/1268240018.db2.gz KNTQAOMZYNHNQF-TYPHKJRUSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414965 1268240027 /nfs/dbraw/zinc/24/00/27/1268240027.db2.gz KNTQAOMZYNHNQF-TYPHKJRUSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414965 1268240033 /nfs/dbraw/zinc/24/00/33/1268240033.db2.gz KNTQAOMZYNHNQF-TYPHKJRUSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414965 1268240041 /nfs/dbraw/zinc/24/00/41/1268240041.db2.gz KNTQAOMZYNHNQF-TYPHKJRUSA-N 2 1 373.497 0.708 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551466349 1268256820 /nfs/dbraw/zinc/25/68/20/1268256820.db2.gz WBJJHEYLNRMIDI-JKSUJKDBSA-N 2 1 354.495 0.507 20 0 FCADMP COCC[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551466349 1268256828 /nfs/dbraw/zinc/25/68/28/1268256828.db2.gz WBJJHEYLNRMIDI-JKSUJKDBSA-N 2 1 354.495 0.507 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C[C@@H](C)O ZINC001551471834 1268258199 /nfs/dbraw/zinc/25/81/99/1268258199.db2.gz ZMPSHNSCVGNEDN-IXDOHACOSA-N 2 1 368.522 0.632 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551547587 1268264706 /nfs/dbraw/zinc/26/47/06/1268264706.db2.gz DOXMQLIORWJUMS-IOSXPMGOSA-N 2 1 363.506 0.594 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C[C@]2(C)C1 ZINC001551553030 1268265116 /nfs/dbraw/zinc/26/51/16/1268265116.db2.gz GNOMAVOHTKQSDD-RRIFGTCXSA-N 2 1 363.506 0.226 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556244 1268268448 /nfs/dbraw/zinc/26/84/48/1268268448.db2.gz SCENOBRYIDRUGF-GDBMZVCRSA-N 2 1 351.495 0.369 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576852 1268275781 /nfs/dbraw/zinc/27/57/81/1268275781.db2.gz KCWDHMUHJBPMFR-JFIYKMOQSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551579647 1268277370 /nfs/dbraw/zinc/27/73/70/1268277370.db2.gz OSDCQQJTMTVBKA-ZMSDIMECSA-N 2 1 365.522 0.805 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551583724 1268278901 /nfs/dbraw/zinc/27/89/01/1268278901.db2.gz WMPXLXOZVPZMDW-BQFCYCMXSA-N 2 1 365.522 0.757 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551586750 1268279899 /nfs/dbraw/zinc/27/98/99/1268279899.db2.gz HGFJYNACHPTGFF-UYFTZEKXSA-N 2 1 358.490 0.771 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585336 1268279918 /nfs/dbraw/zinc/27/99/18/1268279918.db2.gz APKSEBRKBKZBDK-SOLBZPMBSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)C1 ZINC001551595370 1268282365 /nfs/dbraw/zinc/28/23/65/1268282365.db2.gz UBPWZYIDSDBQHS-DHADLLTHSA-N 2 1 365.522 0.303 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934875 1268312090 /nfs/dbraw/zinc/31/20/90/1268312090.db2.gz CSRZDMUIJPKLAC-ZJIFWQFVSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934875 1268312104 /nfs/dbraw/zinc/31/21/04/1268312104.db2.gz CSRZDMUIJPKLAC-ZJIFWQFVSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551938591 1268315497 /nfs/dbraw/zinc/31/54/97/1268315497.db2.gz KKZDBEZJMZZXJU-JJXSEGSLSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551938591 1268315509 /nfs/dbraw/zinc/31/55/09/1268315509.db2.gz KKZDBEZJMZZXJU-JJXSEGSLSA-N 2 1 374.489 0.786 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2C)CC1 ZINC001339903531 1268365210 /nfs/dbraw/zinc/36/52/10/1268365210.db2.gz SWNCKGHTOIIGCK-CQSZACIVSA-N 2 1 350.467 0.857 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cnn1C ZINC001552090302 1268370643 /nfs/dbraw/zinc/37/06/43/1268370643.db2.gz OOZFJVJWTQMUEN-DLBZAZTESA-N 2 1 371.489 0.550 20 0 FCADMP C[NH+]1CCC(N2CCC(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC001552168772 1268401105 /nfs/dbraw/zinc/40/11/05/1268401105.db2.gz GHGUQJQXYLBRTQ-INIZCTEOSA-N 2 1 361.494 0.101 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@@H]4COC5)n3)cn2)CC1 ZINC001552176014 1268403152 /nfs/dbraw/zinc/40/31/52/1268403152.db2.gz JEUCCSOZBPOXJT-KDOFPFPSSA-N 2 1 356.430 0.371 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)c1 ZINC001340018603 1268407321 /nfs/dbraw/zinc/40/73/21/1268407321.db2.gz GXZFSCHAPVWIGL-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552202139 1268408434 /nfs/dbraw/zinc/40/84/34/1268408434.db2.gz AXPHBGPZOLLMDQ-PZJWPPBQSA-N 2 1 372.513 0.676 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552200548 1268408610 /nfs/dbraw/zinc/40/86/10/1268408610.db2.gz MCLMOJVTUQFGMI-OXJNMPFZSA-N 2 1 372.469 0.178 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001552297180 1268435130 /nfs/dbraw/zinc/43/51/30/1268435130.db2.gz LYHNPQDAIZVBMU-PKOBYXMFSA-N 2 1 358.486 0.912 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001340120966 1268442397 /nfs/dbraw/zinc/44/23/97/1268442397.db2.gz MRFITICXNSCSPY-DZGCQCFKSA-N 2 1 352.504 0.877 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421427 1268460052 /nfs/dbraw/zinc/46/00/52/1268460052.db2.gz FHNAULKGIWHYEX-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C2(C[NH3+])CC(O)C2)c2cccs2)CC1 ZINC001340240553 1268482770 /nfs/dbraw/zinc/48/27/70/1268482770.db2.gz JYRREYZAALFUFN-XOYHFGRZSA-N 2 1 352.504 0.253 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340321785 1268510416 /nfs/dbraw/zinc/51/04/16/1268510416.db2.gz CMLOYWNZOFILIQ-LPHOPBHVSA-N 2 1 369.506 0.757 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001340334272 1268513123 /nfs/dbraw/zinc/51/31/23/1268513123.db2.gz PVKXJFQBDNDLEF-ZWNOBZJWSA-N 2 1 358.236 0.562 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@@H]1C ZINC001552698587 1268523629 /nfs/dbraw/zinc/52/36/29/1268523629.db2.gz ZMJCLRILKPDJED-SQWLQELKSA-N 2 1 350.467 0.513 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@@H]1C ZINC001552698587 1268523638 /nfs/dbraw/zinc/52/36/38/1268523638.db2.gz ZMJCLRILKPDJED-SQWLQELKSA-N 2 1 350.467 0.513 20 0 FCADMP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001340397057 1268534872 /nfs/dbraw/zinc/53/48/72/1268534872.db2.gz DCYIEVIERSFQNL-AZUAARDMSA-N 2 1 361.486 0.898 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC001552835183 1268556584 /nfs/dbraw/zinc/55/65/84/1268556584.db2.gz LNKDATNNPDAJCR-YLJYHZDGSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000764 1268576291 /nfs/dbraw/zinc/57/62/91/1268576291.db2.gz FGGFFNVSPBKSGQ-HTCPCDBNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000764 1268576300 /nfs/dbraw/zinc/57/63/00/1268576300.db2.gz FGGFFNVSPBKSGQ-HTCPCDBNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[C@@H](O)C2 ZINC001553000764 1268576306 /nfs/dbraw/zinc/57/63/06/1268576306.db2.gz FGGFFNVSPBKSGQ-HTCPCDBNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@@H](O)C2 ZINC001553000764 1268576311 /nfs/dbraw/zinc/57/63/11/1268576311.db2.gz FGGFFNVSPBKSGQ-HTCPCDBNSA-N 2 1 368.522 0.484 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@H](CN4CCOCC4)O3)C2)C1 ZINC001553143509 1268597343 /nfs/dbraw/zinc/59/73/43/1268597343.db2.gz DAHDKKVJTVATRX-LMMKCTJWSA-N 2 1 351.491 0.811 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@@H]2C1 ZINC001553392586 1268641710 /nfs/dbraw/zinc/64/17/10/1268641710.db2.gz XYTLIKYKVORFKZ-UZLBHIALSA-N 2 1 372.469 0.639 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553386890 1268642377 /nfs/dbraw/zinc/64/23/77/1268642377.db2.gz WLIYGQUSJOCVHH-PBHICJAKSA-N 2 1 351.472 0.248 20 0 FCADMP CN(C)C(=O)COc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553389564 1268643151 /nfs/dbraw/zinc/64/31/51/1268643151.db2.gz MYFSQNRHPARKHK-JXFKEZNVSA-N 2 1 374.485 0.311 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@@H]2C1 ZINC001553399737 1268644007 /nfs/dbraw/zinc/64/40/07/1268644007.db2.gz TVDLNVNUEBFQMM-BMLIUANNSA-N 2 1 370.375 0.700 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]([NH3+])(c3ccccc3)C2)CC1 ZINC001553454060 1268653335 /nfs/dbraw/zinc/65/33/35/1268653335.db2.gz ZYGKUIGCSDCZHQ-FQEVSTJZSA-N 2 1 373.501 0.809 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001553459296 1268654138 /nfs/dbraw/zinc/65/41/38/1268654138.db2.gz CUUXBLOVWGVYQG-BRWVUGGUSA-N 2 1 366.506 0.698 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001553460705 1268654833 /nfs/dbraw/zinc/65/48/33/1268654833.db2.gz AKTLAGGGQRQBBI-ZVZYQTTQSA-N 2 1 354.495 0.493 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001553460705 1268654840 /nfs/dbraw/zinc/65/48/40/1268654840.db2.gz AKTLAGGGQRQBBI-ZVZYQTTQSA-N 2 1 354.495 0.493 20 0 FCADMP Cc1nnsc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553480857 1268656879 /nfs/dbraw/zinc/65/68/79/1268656879.db2.gz BZDAGLGAKSHBGO-OKILXGFUSA-N 2 1 350.492 0.957 20 0 FCADMP CCCN1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1=O ZINC001553503009 1268659889 /nfs/dbraw/zinc/65/98/89/1268659889.db2.gz IXBWYIIISKZUKC-OIISXLGYSA-N 2 1 363.506 0.608 20 0 FCADMP CC[C@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001553641562 1268672506 /nfs/dbraw/zinc/67/25/06/1268672506.db2.gz ORLAAAPIHCPYSU-YOEHRIQHSA-N 2 1 363.506 0.979 20 0 FCADMP CC[C@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001553641562 1268672513 /nfs/dbraw/zinc/67/25/13/1268672513.db2.gz ORLAAAPIHCPYSU-YOEHRIQHSA-N 2 1 363.506 0.979 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1n1ccnn1 ZINC001553825784 1268719308 /nfs/dbraw/zinc/71/93/08/1268719308.db2.gz AKUWCGFMYINRJH-HZPDHXFCSA-N 2 1 352.402 0.486 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244081 1268885526 /nfs/dbraw/zinc/88/55/26/1268885526.db2.gz LNEAHALVTUESEB-KBXCAEBGSA-N 2 1 372.469 0.922 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001341625879 1269117148 /nfs/dbraw/zinc/11/71/48/1269117148.db2.gz CLZUNGFHIVMFLP-FQEVSTJZSA-N 2 1 360.502 0.555 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341677905 1269147374 /nfs/dbraw/zinc/14/73/74/1269147374.db2.gz VIJZYIGDXXSNKI-ZIFCJYIRSA-N 2 1 352.523 0.508 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C1)CC2 ZINC001341731695 1269175032 /nfs/dbraw/zinc/17/50/32/1269175032.db2.gz BINIEHAYAYYBCV-JZXOWHBKSA-N 2 1 373.501 0.861 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC001563942097 1269402441 /nfs/dbraw/zinc/40/24/41/1269402441.db2.gz ABNNFUWYXDQYIJ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001563942097 1269402444 /nfs/dbraw/zinc/40/24/44/1269402444.db2.gz ABNNFUWYXDQYIJ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@H+]1C ZINC001565866152 1269498651 /nfs/dbraw/zinc/49/86/51/1269498651.db2.gz ZCHMAPVAJFVBQN-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568196090 1269722204 /nfs/dbraw/zinc/72/22/04/1269722204.db2.gz QNZBHDCRRLPVPA-JQHSSLGASA-N 2 1 360.502 0.810 20 0 FCADMP CC[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001343443665 1269910998 /nfs/dbraw/zinc/91/09/98/1269910998.db2.gz CISMTWAAZCGMAA-OTWHNJEPSA-N 2 1 360.502 0.686 20 0 FCADMP CC[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001343443665 1269911002 /nfs/dbraw/zinc/91/10/02/1269911002.db2.gz CISMTWAAZCGMAA-OTWHNJEPSA-N 2 1 360.502 0.686 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2 ZINC001343503172 1269929899 /nfs/dbraw/zinc/92/98/99/1269929899.db2.gz XMUJOWIPOREDAL-PBHICJAKSA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)C2 ZINC001343503172 1269929911 /nfs/dbraw/zinc/92/99/11/1269929911.db2.gz XMUJOWIPOREDAL-PBHICJAKSA-N 2 1 359.474 0.695 20 0 FCADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001571959527 1269984337 /nfs/dbraw/zinc/98/43/37/1269984337.db2.gz JQYNYSICIOUNGZ-SQWLQELKSA-N 2 1 350.507 0.632 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001572781221 1270134346 /nfs/dbraw/zinc/13/43/46/1270134346.db2.gz SPJYIFNWNOKNAD-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1OC)[NH+](C)C ZINC001572960157 1270412569 /nfs/dbraw/zinc/41/25/69/1270412569.db2.gz AXLDUIZMVKAXIR-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001580627375 1278575399 /nfs/dbraw/zinc/57/53/99/1278575399.db2.gz RUYCWEAZDKMWAX-SQNIBIBYSA-N 2 1 356.470 0.588 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001580627374 1278576247 /nfs/dbraw/zinc/57/62/47/1278576247.db2.gz RUYCWEAZDKMWAX-KURKYZTESA-N 2 1 356.470 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574252467 1271121428 /nfs/dbraw/zinc/12/14/28/1271121428.db2.gz IDLHGKKKMMCVED-GFCCVEGCSA-N 2 1 363.491 0.959 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260535 1271132802 /nfs/dbraw/zinc/13/28/02/1271132802.db2.gz LKLFYZWDFHHRLC-BETUJISGSA-N 2 1 358.450 0.331 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596459 1271396935 /nfs/dbraw/zinc/39/69/35/1271396935.db2.gz KDJJNHXZOQQYTF-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596459 1271396938 /nfs/dbraw/zinc/39/69/38/1271396938.db2.gz KDJJNHXZOQQYTF-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597792 1271401310 /nfs/dbraw/zinc/40/13/10/1271401310.db2.gz QHVSTOPSVSAGNB-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875660 1271630499 /nfs/dbraw/zinc/63/04/99/1271630499.db2.gz YAIJBYNNLBBTRV-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875660 1271630509 /nfs/dbraw/zinc/63/05/09/1271630509.db2.gz YAIJBYNNLBBTRV-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875660 1271630514 /nfs/dbraw/zinc/63/05/14/1271630514.db2.gz YAIJBYNNLBBTRV-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876316 1271634291 /nfs/dbraw/zinc/63/42/91/1271634291.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876316 1271634294 /nfs/dbraw/zinc/63/42/94/1271634294.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876316 1271634296 /nfs/dbraw/zinc/63/42/96/1271634296.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877491 1271640221 /nfs/dbraw/zinc/64/02/21/1271640221.db2.gz SGLICDYCEWUKKV-CJNGLKHVSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877491 1271640226 /nfs/dbraw/zinc/64/02/26/1271640226.db2.gz SGLICDYCEWUKKV-CJNGLKHVSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877491 1271640231 /nfs/dbraw/zinc/64/02/31/1271640231.db2.gz SGLICDYCEWUKKV-CJNGLKHVSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886297 1271644022 /nfs/dbraw/zinc/64/40/22/1271644022.db2.gz MRRPINKTSWOPCN-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886297 1271644028 /nfs/dbraw/zinc/64/40/28/1271644028.db2.gz MRRPINKTSWOPCN-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886297 1271644038 /nfs/dbraw/zinc/64/40/38/1271644038.db2.gz MRRPINKTSWOPCN-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886297 1271644044 /nfs/dbraw/zinc/64/40/44/1271644044.db2.gz MRRPINKTSWOPCN-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCSCC1 ZINC001575047943 1271699665 /nfs/dbraw/zinc/69/96/65/1271699665.db2.gz GJCYHRASOVAMGD-BHYGNILZSA-N 2 1 352.548 0.851 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001575100546 1271719678 /nfs/dbraw/zinc/71/96/78/1271719678.db2.gz SWQDHMJBSQYVEI-CALCHBBNSA-N 2 1 350.507 0.524 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001575149725 1271749935 /nfs/dbraw/zinc/74/99/35/1271749935.db2.gz JFBJTQPZEIMQJJ-YCPHGPKFSA-N 2 1 359.536 0.529 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001575149725 1271749948 /nfs/dbraw/zinc/74/99/48/1271749948.db2.gz JFBJTQPZEIMQJJ-YCPHGPKFSA-N 2 1 359.536 0.529 20 0 FCADMP C[C@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[NH2+]C1 ZINC001575915540 1272559525 /nfs/dbraw/zinc/55/95/25/1272559525.db2.gz SAEGTZQLHYZMEK-PMPSAXMXSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575983163 1272643041 /nfs/dbraw/zinc/64/30/41/1272643041.db2.gz NCJZNGPDJSFWLM-STQMWFEESA-N 2 1 358.450 0.687 20 0 FCADMP C[C@H]1C[C@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576061989 1272807817 /nfs/dbraw/zinc/80/78/17/1272807817.db2.gz YATVMOJZMZIIBW-BBRMVZONSA-N 2 1 366.429 0.821 20 0 FCADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576066403 1272816185 /nfs/dbraw/zinc/81/61/85/1272816185.db2.gz UFVPTNSXEOVWRT-HUUCEWRRSA-N 2 1 372.477 0.383 20 0 FCADMP C[C@@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2)[C@H](c1ccccc1)[NH+](C)C ZINC001576221859 1272993636 /nfs/dbraw/zinc/99/36/36/1272993636.db2.gz UQTLMOGHGXTGEE-GFOCRRMGSA-N 2 1 365.499 0.428 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486384 1273335283 /nfs/dbraw/zinc/33/52/83/1273335283.db2.gz UZJFZDWVFMVVCH-HZPDHXFCSA-N 2 1 350.467 0.386 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576512033 1273386568 /nfs/dbraw/zinc/38/65/68/1273386568.db2.gz JDLDAWVXXREAKF-TWMKSMIVSA-N 2 1 369.473 0.753 20 0 FCADMP C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@@H+]1CC=CCC1 ZINC001576575319 1273454275 /nfs/dbraw/zinc/45/42/75/1273454275.db2.gz ZFASOUZTBUTQDE-CVEARBPZSA-N 2 1 373.505 0.631 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001576709918 1273578627 /nfs/dbraw/zinc/57/86/27/1273578627.db2.gz WQBVJOAGWMLDKI-CABCVRRESA-N 2 1 363.510 0.686 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796662 1273699431 /nfs/dbraw/zinc/69/94/31/1273699431.db2.gz QKESXUUJVSGEIE-OLZOCXBDSA-N 2 1 358.450 0.250 20 0 FCADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824600 1273747178 /nfs/dbraw/zinc/74/71/78/1273747178.db2.gz SJAYMKNNXPGIDI-STQMWFEESA-N 2 1 358.450 0.332 20 0 FCADMP O=C(NCc1cn(C2C[NH2+]C2)nn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001580725128 1278810749 /nfs/dbraw/zinc/81/07/49/1278810749.db2.gz QGPKZINZTQTNJQ-MRXNPFEDSA-N 2 1 354.458 0.951 20 0 FCADMP C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001576828488 1273753387 /nfs/dbraw/zinc/75/33/87/1273753387.db2.gz HFMUBVMVRPYHOR-OSRDXIQISA-N 2 1 361.494 0.495 20 0 FCADMP C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576840007 1273776860 /nfs/dbraw/zinc/77/68/60/1273776860.db2.gz YFWAIWXXKODHHI-RDTXWAMCSA-N 2 1 350.511 0.731 20 0 FCADMP C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CCC([NH3+])CC1 ZINC001576860349 1273820844 /nfs/dbraw/zinc/82/08/44/1273820844.db2.gz IKLIBXLEEONJBJ-CQSZACIVSA-N 2 1 372.477 0.383 20 0 FCADMP C[C@@H]1COCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC([NH3+])CC1 ZINC001576860349 1273820848 /nfs/dbraw/zinc/82/08/48/1273820848.db2.gz IKLIBXLEEONJBJ-CQSZACIVSA-N 2 1 372.477 0.383 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576882685 1273863986 /nfs/dbraw/zinc/86/39/86/1273863986.db2.gz JAVFIJVPLDGFRT-RHSMWYFYSA-N 2 1 364.494 0.333 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001576996788 1274028084 /nfs/dbraw/zinc/02/80/84/1274028084.db2.gz XDSHVMVJUNNBMM-QXSJWSMHSA-N 2 1 364.494 0.994 20 0 FCADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026564 1274082370 /nfs/dbraw/zinc/08/23/70/1274082370.db2.gz GACUWWIHRMIUIG-LSDHHAIUSA-N 2 1 366.510 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550280 1274489762 /nfs/dbraw/zinc/48/97/62/1274489762.db2.gz CGNHPYPAXVSESI-KGLIPLIRSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577553574 1274492394 /nfs/dbraw/zinc/49/23/94/1274492394.db2.gz CIUIYUDJDDJZDT-AWEZNQCLSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577554075 1274494616 /nfs/dbraw/zinc/49/46/16/1274494616.db2.gz PEMKFQSDLJMULA-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577554203 1274496356 /nfs/dbraw/zinc/49/63/56/1274496356.db2.gz QOBUYDJNBLVKGL-GXTWGEPZSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577561123 1274509160 /nfs/dbraw/zinc/50/91/60/1274509160.db2.gz QQGNSMRPTUNJRL-MRXNPFEDSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563171 1274516959 /nfs/dbraw/zinc/51/69/59/1274516959.db2.gz MLEGYZPVXZHOSR-BETUJISGSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577565158 1274520261 /nfs/dbraw/zinc/52/02/61/1274520261.db2.gz LDLGBBFIAGMNHZ-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567792 1274525237 /nfs/dbraw/zinc/52/52/37/1274525237.db2.gz HLIFAGJGMIUXGK-AWEZNQCLSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577568529 1274527591 /nfs/dbraw/zinc/52/75/91/1274527591.db2.gz SXRJHTVBQVWQRE-UHFFFAOYSA-N 2 1 372.477 0.818 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571610 1274536408 /nfs/dbraw/zinc/53/64/08/1274536408.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 1 369.473 0.649 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571610 1274536411 /nfs/dbraw/zinc/53/64/11/1274536411.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 1 369.473 0.649 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571610 1274536415 /nfs/dbraw/zinc/53/64/15/1274536415.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 1 369.473 0.649 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577573861 1274538367 /nfs/dbraw/zinc/53/83/67/1274538367.db2.gz FEYVPWGIGQNOJD-UHFFFAOYSA-N 2 1 358.450 0.476 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666317 1274685523 /nfs/dbraw/zinc/68/55/23/1274685523.db2.gz ZHHWERNOFIRLTQ-BBRMVZONSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667534 1274689880 /nfs/dbraw/zinc/68/98/80/1274689880.db2.gz DWJDUSWDHZKDSX-CJNGLKHVSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669149 1274693179 /nfs/dbraw/zinc/69/31/79/1274693179.db2.gz OWBWOQIQWHBMKN-CJNGLKHVSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670614 1274700377 /nfs/dbraw/zinc/70/03/77/1274700377.db2.gz XIHHNKCLJGQFQP-BBRMVZONSA-N 2 1 370.461 0.571 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC/C=C\C[NH3+])CC2)CC1 ZINC001577775574 1274865888 /nfs/dbraw/zinc/86/58/88/1274865888.db2.gz LTNROBKEQURSIQ-ARJAWSKDSA-N 2 1 351.495 0.477 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001577805897 1274910204 /nfs/dbraw/zinc/91/02/04/1274910204.db2.gz YLGIELHGFLEUIX-QGZVFWFLSA-N 2 1 364.494 0.430 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852071 1274991170 /nfs/dbraw/zinc/99/11/70/1274991170.db2.gz JGELOBCLPKMSGP-UONOGXRCSA-N 2 1 372.477 0.532 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859284 1275017480 /nfs/dbraw/zinc/01/74/80/1275017480.db2.gz APUQXPUBJUKKFG-LBPRGKRZSA-N 2 1 360.466 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860479 1275021973 /nfs/dbraw/zinc/02/19/73/1275021973.db2.gz XQGIUEGZPZMJIE-CHWSQXEVSA-N 2 1 360.466 0.721 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859956 1275022407 /nfs/dbraw/zinc/02/24/07/1275022407.db2.gz QGVACRVBEPMKTI-CHWSQXEVSA-N 2 1 360.466 0.639 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866342 1275044390 /nfs/dbraw/zinc/04/43/90/1275044390.db2.gz FCWIRALMZOZTCM-ZDUSSCGKSA-N 2 1 358.450 0.546 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867111 1275050510 /nfs/dbraw/zinc/05/05/10/1275050510.db2.gz VDJMXUJZXMTLRT-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867111 1275050519 /nfs/dbraw/zinc/05/05/19/1275050519.db2.gz VDJMXUJZXMTLRT-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867111 1275050526 /nfs/dbraw/zinc/05/05/26/1275050526.db2.gz VDJMXUJZXMTLRT-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577867111 1275050532 /nfs/dbraw/zinc/05/05/32/1275050532.db2.gz VDJMXUJZXMTLRT-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577869403 1275052941 /nfs/dbraw/zinc/05/29/41/1275052941.db2.gz BAYZYMXGSBHPFT-XPKDYRNWSA-N 2 1 370.461 0.829 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577869403 1275052945 /nfs/dbraw/zinc/05/29/45/1275052945.db2.gz BAYZYMXGSBHPFT-XPKDYRNWSA-N 2 1 370.461 0.829 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577871204 1275059872 /nfs/dbraw/zinc/05/98/72/1275059872.db2.gz BQIIKBUGEUQNCG-JOCQHMNTSA-N 2 1 358.450 0.393 20 0 FCADMP CC[N@@H+](CCNC(=O)Cc1cncn1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578029832 1275304358 /nfs/dbraw/zinc/30/43/58/1275304358.db2.gz SSDRBZLTVLSMHV-UHFFFAOYSA-N 2 1 368.445 0.781 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[NH2+]C)CC1 ZINC001578115679 1275416920 /nfs/dbraw/zinc/41/69/20/1275416920.db2.gz SPWVHKNGFGECBE-MRXNPFEDSA-N 2 1 366.510 0.550 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(COCC)n2C[C@@H]2CCC[NH2+]2)CC1 ZINC001578115725 1275417894 /nfs/dbraw/zinc/41/78/94/1275417894.db2.gz VJGHXANGLVVPFS-INIZCTEOSA-N 2 1 366.510 0.725 20 0 FCADMP CCOCc1nnc(N2CCC(C)([NH3+])CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578131951 1275430654 /nfs/dbraw/zinc/43/06/54/1275430654.db2.gz CUFUWJJWHHNADZ-QGZVFWFLSA-N 2 1 352.483 0.199 20 0 FCADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)[NH2+]C ZINC001578133114 1275432371 /nfs/dbraw/zinc/43/23/71/1275432371.db2.gz YHOGSZRKBYJXQF-QAPCUYQASA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[NH2+]CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578142129 1275442013 /nfs/dbraw/zinc/44/20/13/1275442013.db2.gz LQEYTYOMMLBYOL-UHFFFAOYSA-N 2 1 352.483 0.335 20 0 FCADMP CCOCc1nnc(N2CC[NH2+]CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578142129 1275442016 /nfs/dbraw/zinc/44/20/16/1275442016.db2.gz LQEYTYOMMLBYOL-UHFFFAOYSA-N 2 1 352.483 0.335 20 0 FCADMP CCc1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001578305306 1275640503 /nfs/dbraw/zinc/64/05/03/1275640503.db2.gz LHDUFWSZEHFCTA-XHSDSOJGSA-N 2 1 350.511 0.981 20 0 FCADMP CCc1nnc(N2CC[C@H]([NH3+])C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001578328643 1275674414 /nfs/dbraw/zinc/67/44/14/1275674414.db2.gz JRNDNMLUAQMLJF-GJZGRUSLSA-N 2 1 363.510 0.321 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578397759 1275773055 /nfs/dbraw/zinc/77/30/55/1275773055.db2.gz XFHKOIKWBWEPNC-CVEARBPZSA-N 2 1 353.511 0.618 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001578444156 1275829257 /nfs/dbraw/zinc/82/92/57/1275829257.db2.gz KWXIKZRWJZNOMH-DVOMOZLQSA-N 2 1 370.461 0.427 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001578449011 1275844830 /nfs/dbraw/zinc/84/48/30/1275844830.db2.gz RPQKKKCDPDQNGW-WFGGJUAMSA-N 2 1 370.461 0.473 20 0 FCADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578468425 1275881158 /nfs/dbraw/zinc/88/11/58/1275881158.db2.gz YDGLEDCEYXKMPE-ZDUSSCGKSA-N 2 1 357.410 0.510 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001578521583 1275956373 /nfs/dbraw/zinc/95/63/73/1275956373.db2.gz XSWXFCIVTCVNKH-CALCHBBNSA-N 2 1 356.536 0.723 20 0 FCADMP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001578576012 1276008565 /nfs/dbraw/zinc/00/85/65/1276008565.db2.gz MTUJHUCTWOTAMQ-YCPHGPKFSA-N 2 1 358.494 0.959 20 0 FCADMP C[NH2+][C@@H](C)Cn1c(C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001578580404 1276013918 /nfs/dbraw/zinc/01/39/18/1276013918.db2.gz WFZPTRBGEAMUBB-HNNXBMFYSA-N 2 1 363.510 0.329 20 0 FCADMP C[NH2+][C@@H](C)Cn1c(C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001578580404 1276013924 /nfs/dbraw/zinc/01/39/24/1276013924.db2.gz WFZPTRBGEAMUBB-HNNXBMFYSA-N 2 1 363.510 0.329 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001578609484 1276045147 /nfs/dbraw/zinc/04/51/47/1276045147.db2.gz UIQJUUZFHSMNIY-HZPDHXFCSA-N 2 1 373.505 0.918 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001578612046 1276048886 /nfs/dbraw/zinc/04/88/86/1276048886.db2.gz VSNFEESBGLKXPG-GDBMZVCRSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001578612046 1276048890 /nfs/dbraw/zinc/04/88/90/1276048890.db2.gz VSNFEESBGLKXPG-GDBMZVCRSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578613398 1276049748 /nfs/dbraw/zinc/04/97/48/1276049748.db2.gz YKNXBEYRXOYNIM-KGLIPLIRSA-N 2 1 358.450 0.232 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)CCOC)C1 ZINC001578615588 1276051855 /nfs/dbraw/zinc/05/18/55/1276051855.db2.gz NSYRTOWMQCNUNV-HOTGVXAUSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001578647728 1276099482 /nfs/dbraw/zinc/09/94/82/1276099482.db2.gz UDYOBTGRDLRDRD-CVEARBPZSA-N 2 1 350.463 0.491 20 0 FCADMP C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001578647728 1276099488 /nfs/dbraw/zinc/09/94/88/1276099488.db2.gz UDYOBTGRDLRDRD-CVEARBPZSA-N 2 1 350.463 0.491 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)Cn2c(C[NH3+])nc3ccccc32)CC[N@@H+](C)C1 ZINC001578797972 1276286880 /nfs/dbraw/zinc/28/68/80/1276286880.db2.gz VZBWWTLTYJGKMU-CYBMUJFWSA-N 2 1 359.430 0.058 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)C1 ZINC001578807853 1276298614 /nfs/dbraw/zinc/29/86/14/1276298614.db2.gz WYAIDSNCOXILRZ-CABCVRRESA-N 2 1 352.479 0.940 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)C1 ZINC001578807853 1276298616 /nfs/dbraw/zinc/29/86/16/1276298616.db2.gz WYAIDSNCOXILRZ-CABCVRRESA-N 2 1 352.479 0.940 20 0 FCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893437 1276429125 /nfs/dbraw/zinc/42/91/25/1276429125.db2.gz JYUSAIXKSPTXBK-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893437 1276429129 /nfs/dbraw/zinc/42/91/29/1276429129.db2.gz JYUSAIXKSPTXBK-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893437 1276429132 /nfs/dbraw/zinc/42/91/32/1276429132.db2.gz JYUSAIXKSPTXBK-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578977991 1276533692 /nfs/dbraw/zinc/53/36/92/1276533692.db2.gz ZHWFYUYYGCZQIO-CVEARBPZSA-N 2 1 370.461 0.783 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578978462 1276536331 /nfs/dbraw/zinc/53/63/31/1276536331.db2.gz JCYHHPSXGWKGCR-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578980108 1276538714 /nfs/dbraw/zinc/53/87/14/1276538714.db2.gz AJYVPLHVOUSVQQ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001578982575 1276545249 /nfs/dbraw/zinc/54/52/49/1276545249.db2.gz VQRDJAONJLSIHA-CYBMUJFWSA-N 2 1 358.450 0.641 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578986048 1276554485 /nfs/dbraw/zinc/55/44/85/1276554485.db2.gz XMVVNLFNISBYEV-QGZVFWFLSA-N 2 1 358.450 0.689 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578987348 1276557803 /nfs/dbraw/zinc/55/78/03/1276557803.db2.gz HQIRFWIVDJTXIN-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013907 1276588121 /nfs/dbraw/zinc/58/81/21/1276588121.db2.gz HZYMGZYPRVKUGS-JOCQHMNTSA-N 2 1 370.461 0.475 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001579022506 1276600984 /nfs/dbraw/zinc/60/09/84/1276600984.db2.gz YAWUZKCGXZSZST-GOEBONIOSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[N@@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CCC([NH3+])CC1 ZINC001579028791 1276611586 /nfs/dbraw/zinc/61/15/86/1276611586.db2.gz XFYPZJDOUKLLIK-HNNXBMFYSA-N 2 1 366.510 0.678 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3[NH2+]2)C[C@@H]1C ZINC001579038280 1276622633 /nfs/dbraw/zinc/62/26/33/1276622633.db2.gz FKYNUIVKJFBYBD-ORQFMDKSSA-N 2 1 364.494 0.120 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2[NH2+]CC[C@@H]2C)CC1 ZINC001579038038 1276623302 /nfs/dbraw/zinc/62/33/02/1276623302.db2.gz AKKXHINJGALJIV-DOTOQJQBSA-N 2 1 362.522 0.997 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2C[NH2+]C2)C[C@@H]1C ZINC001579038532 1276624952 /nfs/dbraw/zinc/62/49/52/1276624952.db2.gz IASVOEJJOTZVPX-AWEZNQCLSA-N 2 1 359.478 0.650 20 0 FCADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001579164508 1276915090 /nfs/dbraw/zinc/91/50/90/1276915090.db2.gz JPRBNRNPIQNCSS-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168370 1276920565 /nfs/dbraw/zinc/92/05/65/1276920565.db2.gz GUKDJJRJIBIOFZ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168370 1276920583 /nfs/dbraw/zinc/92/05/83/1276920583.db2.gz GUKDJJRJIBIOFZ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168370 1276920585 /nfs/dbraw/zinc/92/05/85/1276920585.db2.gz GUKDJJRJIBIOFZ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579172379 1276926904 /nfs/dbraw/zinc/92/69/04/1276926904.db2.gz RBGNVPRJFKVLGZ-QGZVFWFLSA-N 2 1 369.473 0.757 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cn(C3C[NH2+]C3)nn2)cc1 ZINC001579212717 1277007497 /nfs/dbraw/zinc/00/74/97/1277007497.db2.gz KDZHIOODWYVBJY-CQSZACIVSA-N 2 1 356.430 0.435 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cn(C3C[NH2+]C3)nn2)cc1 ZINC001579212717 1277007500 /nfs/dbraw/zinc/00/75/00/1277007500.db2.gz KDZHIOODWYVBJY-CQSZACIVSA-N 2 1 356.430 0.435 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579255721 1277051449 /nfs/dbraw/zinc/05/14/49/1277051449.db2.gz DEKJBHOYTYCEIU-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579256375 1277052662 /nfs/dbraw/zinc/05/26/62/1277052662.db2.gz UUZOGMDIOLERTH-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579256375 1277052664 /nfs/dbraw/zinc/05/26/64/1277052664.db2.gz UUZOGMDIOLERTH-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579256375 1277052665 /nfs/dbraw/zinc/05/26/65/1277052665.db2.gz UUZOGMDIOLERTH-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579325151 1277142336 /nfs/dbraw/zinc/14/23/36/1277142336.db2.gz AVXKQBZDHYXWJN-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326259 1277148833 /nfs/dbraw/zinc/14/88/33/1277148833.db2.gz NTFSLPQSDNEQDN-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326259 1277148834 /nfs/dbraw/zinc/14/88/34/1277148834.db2.gz NTFSLPQSDNEQDN-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326259 1277148836 /nfs/dbraw/zinc/14/88/36/1277148836.db2.gz NTFSLPQSDNEQDN-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326970 1277152584 /nfs/dbraw/zinc/15/25/84/1277152584.db2.gz NJHOPNUITNHSMT-ZBFHGGJFSA-N 2 1 369.473 0.757 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001579327787 1277154295 /nfs/dbraw/zinc/15/42/95/1277154295.db2.gz XNAHEUTYNMFOIX-ZDUSSCGKSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001579327552 1277154563 /nfs/dbraw/zinc/15/45/63/1277154563.db2.gz VEKOFQREBHLNGO-AWEZNQCLSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579328664 1277156733 /nfs/dbraw/zinc/15/67/33/1277156733.db2.gz IWSJJHQFRXMYAI-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579329577 1277157521 /nfs/dbraw/zinc/15/75/21/1277157521.db2.gz QFGIAWAGTPMGKU-MCIONIFRSA-N 2 1 368.445 0.108 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579329578 1277157536 /nfs/dbraw/zinc/15/75/36/1277157536.db2.gz QFGIAWAGTPMGKU-MELADBBJSA-N 2 1 368.445 0.108 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331626 1277163680 /nfs/dbraw/zinc/16/36/80/1277163680.db2.gz DGHWAZNWCGJCTP-NWDGAFQWSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331626 1277163683 /nfs/dbraw/zinc/16/36/83/1277163683.db2.gz DGHWAZNWCGJCTP-NWDGAFQWSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331626 1277163687 /nfs/dbraw/zinc/16/36/87/1277163687.db2.gz DGHWAZNWCGJCTP-NWDGAFQWSA-N 2 1 361.475 0.570 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579332301 1277165665 /nfs/dbraw/zinc/16/56/65/1277165665.db2.gz JLNGUORAAYUXPX-ARWYELJZSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332490 1277165930 /nfs/dbraw/zinc/16/59/30/1277165930.db2.gz KSNAVMBIIUMVJZ-SWLSCSKDSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332490 1277165931 /nfs/dbraw/zinc/16/59/31/1277165931.db2.gz KSNAVMBIIUMVJZ-SWLSCSKDSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332490 1277165932 /nfs/dbraw/zinc/16/59/32/1277165932.db2.gz KSNAVMBIIUMVJZ-SWLSCSKDSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332490 1277165933 /nfs/dbraw/zinc/16/59/33/1277165933.db2.gz KSNAVMBIIUMVJZ-SWLSCSKDSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579335249 1277173452 /nfs/dbraw/zinc/17/34/52/1277173452.db2.gz PDKPSQCXSPXXRF-ZDUSSCGKSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579335249 1277173453 /nfs/dbraw/zinc/17/34/53/1277173453.db2.gz PDKPSQCXSPXXRF-ZDUSSCGKSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579335002 1277173795 /nfs/dbraw/zinc/17/37/95/1277173795.db2.gz LPCUBVPXNLNMMM-HNNXBMFYSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579335002 1277173797 /nfs/dbraw/zinc/17/37/97/1277173797.db2.gz LPCUBVPXNLNMMM-HNNXBMFYSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335267 1277175798 /nfs/dbraw/zinc/17/57/98/1277175798.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335267 1277175805 /nfs/dbraw/zinc/17/58/05/1277175805.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335267 1277175810 /nfs/dbraw/zinc/17/58/10/1277175810.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579335421 1277178311 /nfs/dbraw/zinc/17/83/11/1277178311.db2.gz QRSAPDNONLZIJI-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579335421 1277178313 /nfs/dbraw/zinc/17/83/13/1277178313.db2.gz QRSAPDNONLZIJI-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339761 1277183501 /nfs/dbraw/zinc/18/35/01/1277183501.db2.gz LSDPHYKSIQTUEA-SRVKXCTJSA-N 2 1 361.475 0.617 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343914 1277194771 /nfs/dbraw/zinc/19/47/71/1277194771.db2.gz NHYKNCLATSRATB-WBMJQRKESA-N 2 1 370.461 0.332 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345465 1277195655 /nfs/dbraw/zinc/19/56/55/1277195655.db2.gz WCLZZTXHORYVEF-ACJLOTCBSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345465 1277195657 /nfs/dbraw/zinc/19/56/57/1277195657.db2.gz WCLZZTXHORYVEF-ACJLOTCBSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347263 1277201045 /nfs/dbraw/zinc/20/10/45/1277201045.db2.gz ZRBMNXFAUODZMJ-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347263 1277201046 /nfs/dbraw/zinc/20/10/46/1277201046.db2.gz ZRBMNXFAUODZMJ-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347263 1277201048 /nfs/dbraw/zinc/20/10/48/1277201048.db2.gz ZRBMNXFAUODZMJ-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353090 1277209287 /nfs/dbraw/zinc/20/92/87/1277209287.db2.gz CVZXKLMHIKDKOJ-XJKSGUPXSA-N 2 1 373.436 0.791 20 0 FCADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353358 1277211099 /nfs/dbraw/zinc/21/10/99/1277211099.db2.gz JUVRKMWAFFEXDQ-RDJZCZTQSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353358 1277211100 /nfs/dbraw/zinc/21/11/00/1277211100.db2.gz JUVRKMWAFFEXDQ-RDJZCZTQSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353358 1277211102 /nfs/dbraw/zinc/21/11/02/1277211102.db2.gz JUVRKMWAFFEXDQ-RDJZCZTQSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361245 1277236463 /nfs/dbraw/zinc/23/64/63/1277236463.db2.gz KRBDCPZMEVEZOK-CYBMUJFWSA-N 2 1 370.461 0.619 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362562 1277238862 /nfs/dbraw/zinc/23/88/62/1277238862.db2.gz SOTKTAVRVXGZDF-DZKIICNBSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361641 1277239650 /nfs/dbraw/zinc/23/96/50/1277239650.db2.gz PNKHLTOODXSULP-BZUAXINKSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362567 1277241437 /nfs/dbraw/zinc/24/14/37/1277241437.db2.gz SOTKTAVRVXGZDF-LZWOXQAQSA-N 2 1 373.436 0.837 20 0 FCADMP CC(C)OCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713743136 1287293703 /nfs/dbraw/zinc/29/37/03/1287293703.db2.gz XEUHSRCNXKTCMD-QZTJIDSGSA-N 2 1 354.539 0.828 20 0 FCADMP Cc1cccc(-c2nnc(N3CC[C@@H]([NH3+])C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001579745633 1277855431 /nfs/dbraw/zinc/85/54/31/1277855431.db2.gz SSQJKYYKWZUHEF-JKSUJKDBSA-N 2 1 371.489 0.907 20 0 FCADMP Cc1cccc(NCCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[nH+]1 ZINC001579772329 1277900572 /nfs/dbraw/zinc/90/05/72/1277900572.db2.gz WIHGCMVNPKUZJY-UHFFFAOYSA-N 2 1 356.434 0.823 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580007014 1277988433 /nfs/dbraw/zinc/98/84/33/1277988433.db2.gz RGKHNKGNBWZUSM-CQSZACIVSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC001580007014 1277988445 /nfs/dbraw/zinc/98/84/45/1277988445.db2.gz RGKHNKGNBWZUSM-CQSZACIVSA-N 2 1 373.461 0.518 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)cc2)C1 ZINC001580089151 1278003568 /nfs/dbraw/zinc/00/35/68/1278003568.db2.gz LWGZHQFQNSLICM-GQIGUUNPSA-N 2 1 372.469 0.701 20 0 FCADMP C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001714264104 1287318056 /nfs/dbraw/zinc/31/80/56/1287318056.db2.gz JDYVNKVYZKWOIB-IIAWOOMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580272965 1278066816 /nfs/dbraw/zinc/06/68/16/1278066816.db2.gz WGIZEWZJHWUDES-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001580280221 1278079433 /nfs/dbraw/zinc/07/94/33/1278079433.db2.gz AKLPXEXSCNVXHZ-XHSDSOJGSA-N 2 1 351.495 0.642 20 0 FCADMP Cc1cc(N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941436 1279150411 /nfs/dbraw/zinc/15/04/11/1279150411.db2.gz HPVWABRKDMGVNP-DZGCQCFKSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992799 1279195938 /nfs/dbraw/zinc/19/59/38/1279195938.db2.gz AXLRLBOMJITDGO-JKSUJKDBSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993453 1279199529 /nfs/dbraw/zinc/19/95/29/1279199529.db2.gz IXLZMFYEPCWVOJ-INIZCTEOSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994249 1279201651 /nfs/dbraw/zinc/20/16/51/1279201651.db2.gz SVBOZECQFWFBEQ-BBRMVZONSA-N 2 1 372.477 0.496 20 0 FCADMP Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003848 1279220079 /nfs/dbraw/zinc/22/00/79/1279220079.db2.gz YFGHWIZEFOHSCV-ZUEPYMLJSA-N 2 1 370.461 0.488 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010149 1279235339 /nfs/dbraw/zinc/23/53/39/1279235339.db2.gz GHSQIZISFOCLIF-DGCLKSJQSA-N 2 1 358.450 0.108 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010151 1279235912 /nfs/dbraw/zinc/23/59/12/1279235912.db2.gz GHSQIZISFOCLIF-YPMHNXCESA-N 2 1 358.450 0.108 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010179 1279236467 /nfs/dbraw/zinc/23/64/67/1279236467.db2.gz GPTVLGCDGNMQEW-GXTWGEPZSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010768 1279236881 /nfs/dbraw/zinc/23/68/81/1279236881.db2.gz VKVFKIDGXPXIKM-LBPRGKRZSA-N 2 1 360.466 0.496 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024578 1279256730 /nfs/dbraw/zinc/25/67/30/1279256730.db2.gz JASLTBVXDOOOQC-WBMJQRKESA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(NC[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031741 1279268925 /nfs/dbraw/zinc/26/89/25/1279268925.db2.gz DKTPFSUHMTWBEI-UONOGXRCSA-N 2 1 372.477 0.783 20 0 FCADMP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603259936 1287342441 /nfs/dbraw/zinc/34/24/41/1287342441.db2.gz QWCMIDQUYRIFCG-MAUKXSAKSA-N 2 1 357.462 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001715201013 1287346460 /nfs/dbraw/zinc/34/64/60/1287346460.db2.gz AJJZOJCEPZDIRW-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001715201013 1287346464 /nfs/dbraw/zinc/34/64/64/1287346464.db2.gz AJJZOJCEPZDIRW-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001715226977 1287346582 /nfs/dbraw/zinc/34/65/82/1287346582.db2.gz GAMIOMFMVQNZJD-MGPQQGTHSA-N 2 1 351.499 0.610 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001715226977 1287346588 /nfs/dbraw/zinc/34/65/88/1287346588.db2.gz GAMIOMFMVQNZJD-MGPQQGTHSA-N 2 1 351.499 0.610 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001715227917 1287346949 /nfs/dbraw/zinc/34/69/49/1287346949.db2.gz GWKCZFCABQQEIP-GVDBMIGSSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603459665 1287378486 /nfs/dbraw/zinc/37/84/86/1287378486.db2.gz XJLAVDUJCNFQEZ-OLZOCXBDSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001603493079 1287390820 /nfs/dbraw/zinc/39/08/20/1287390820.db2.gz DFMHVYPBSGLPBV-YNEHKIRRSA-N 2 1 358.450 0.331 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581563069 1280139654 /nfs/dbraw/zinc/13/96/54/1280139654.db2.gz IJGLSHYSKFFYDC-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100938 1281058454 /nfs/dbraw/zinc/05/84/54/1281058454.db2.gz WCKORGMCOAWZJG-OAHLLOKOSA-N 2 1 369.473 0.901 20 0 FCADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001604204720 1287590574 /nfs/dbraw/zinc/59/05/74/1287590574.db2.gz DFKPFWSLIMJKIL-MRXNPFEDSA-N 2 1 357.462 0.854 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001589676644 1282936115 /nfs/dbraw/zinc/93/61/15/1282936115.db2.gz MDLQAZQDIWWKCT-SREVYHEPSA-N 2 1 357.462 0.969 20 0 FCADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956971 1283146558 /nfs/dbraw/zinc/14/65/58/1283146558.db2.gz FBVSJYWQMSTBKJ-XJKSGUPXSA-N 2 1 358.446 0.846 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590113344 1283224994 /nfs/dbraw/zinc/22/49/94/1283224994.db2.gz QZKFMGKZPYIQRP-LSDHHAIUSA-N 2 1 355.446 0.558 20 0 FCADMP C[C@H]1OCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590333303 1283478075 /nfs/dbraw/zinc/47/80/75/1283478075.db2.gz FCCBVMIQQLQUJG-KUHUBIRLSA-N 2 1 372.473 0.961 20 0 FCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678735 1283730550 /nfs/dbraw/zinc/73/05/50/1283730550.db2.gz ZPDCHQXICPWZTE-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678735 1283730560 /nfs/dbraw/zinc/73/05/60/1283730560.db2.gz ZPDCHQXICPWZTE-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678735 1283730570 /nfs/dbraw/zinc/73/05/70/1283730570.db2.gz ZPDCHQXICPWZTE-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678735 1283730580 /nfs/dbraw/zinc/73/05/80/1283730580.db2.gz ZPDCHQXICPWZTE-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001590736738 1283774975 /nfs/dbraw/zinc/77/49/75/1283774975.db2.gz YFKDNBNLGIBWDT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001590736738 1283774988 /nfs/dbraw/zinc/77/49/88/1283774988.db2.gz YFKDNBNLGIBWDT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591010899 1284071415 /nfs/dbraw/zinc/07/14/15/1284071415.db2.gz MYMLKGCXNMRPHT-WBVHZDCISA-N 2 1 369.473 0.996 20 0 FCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001591025471 1284086310 /nfs/dbraw/zinc/08/63/10/1284086310.db2.gz UWNLDDBPWNBENE-DIOULYMOSA-N 2 1 355.446 0.510 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175089 1284261122 /nfs/dbraw/zinc/26/11/22/1284261122.db2.gz GOOIBNLHWDDMRA-KZSQQDEKSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175692 1284265021 /nfs/dbraw/zinc/26/50/21/1284265021.db2.gz RNUJGYVZSFFZID-WIHSUSGWSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176264 1284271995 /nfs/dbraw/zinc/27/19/95/1284271995.db2.gz MLIHRNZFAUEQKO-YPQKKHBXSA-N 2 1 369.473 0.971 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001591177822 1284275298 /nfs/dbraw/zinc/27/52/98/1284275298.db2.gz OCKXSVSVXILIBI-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001591177822 1284275311 /nfs/dbraw/zinc/27/53/11/1284275311.db2.gz OCKXSVSVXILIBI-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178596 1284278466 /nfs/dbraw/zinc/27/84/66/1284278466.db2.gz WTDLGEKMXUTHAT-MGPQQGTHSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186574 1284297398 /nfs/dbraw/zinc/29/73/98/1284297398.db2.gz UGXGRTTYYGDDNT-HSWBROFVSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187349 1284298271 /nfs/dbraw/zinc/29/82/71/1284298271.db2.gz QJWBOJLVCLNTIU-YPQKKHBXSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187356 1284298609 /nfs/dbraw/zinc/29/86/09/1284298609.db2.gz QRBAMLPZLIMXFE-YWVDXFKGSA-N 2 1 361.475 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001591744138 1284872849 /nfs/dbraw/zinc/87/28/49/1284872849.db2.gz JPSJBHVJHLEUMP-FRFSOERESA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001591744138 1284872855 /nfs/dbraw/zinc/87/28/55/1284872855.db2.gz JPSJBHVJHLEUMP-FRFSOERESA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001591744138 1284872861 /nfs/dbraw/zinc/87/28/61/1284872861.db2.gz JPSJBHVJHLEUMP-FRFSOERESA-N 2 1 369.473 0.755 20 0 FCADMP Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C2 ZINC001592039998 1285081646 /nfs/dbraw/zinc/08/16/46/1285081646.db2.gz PFFJNKAQTFGBHC-LBPRGKRZSA-N 2 1 354.418 0.459 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001719118710 1287776048 /nfs/dbraw/zinc/77/60/48/1287776048.db2.gz FFRVWZXTRPQTGG-BFYDXBDKSA-N 2 1 370.538 0.238 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001604849008 1287798663 /nfs/dbraw/zinc/79/86/63/1287798663.db2.gz MOFOWXYLSVTTLC-BPLDGKMQSA-N 2 1 373.436 0.694 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742416 1285660122 /nfs/dbraw/zinc/66/01/22/1285660122.db2.gz ZRBITBPILCPUTC-YEWWUXTCSA-N 2 1 353.430 0.393 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742413 1285660290 /nfs/dbraw/zinc/66/02/90/1285660290.db2.gz ZRBITBPILCPUTC-JOQOYGCGSA-N 2 1 353.430 0.393 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001702419354 1285662724 /nfs/dbraw/zinc/66/27/24/1285662724.db2.gz OOSGEWPACQRGCM-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511760 1286188647 /nfs/dbraw/zinc/18/86/47/1286188647.db2.gz KTHNXBDSWGMJGS-AWEZNQCLSA-N 2 1 358.446 0.682 20 0 FCADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001593529724 1286193963 /nfs/dbraw/zinc/19/39/63/1286193963.db2.gz XVMZUYIKHWHIJY-CQSZACIVSA-N 2 1 371.449 0.236 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001707065979 1286435787 /nfs/dbraw/zinc/43/57/87/1286435787.db2.gz MSNPDECWTVWOOT-TXCZRRACSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@H+]1C ZINC001707067064 1286437304 /nfs/dbraw/zinc/43/73/04/1286437304.db2.gz ZCHMAPVAJFVBQN-NQNKBUKLSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001707168106 1286488866 /nfs/dbraw/zinc/48/88/66/1286488866.db2.gz WUINRLRFNIFRML-AEFFLSMTSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001736042700 1289128885 /nfs/dbraw/zinc/12/88/85/1289128885.db2.gz RKFVAZDZIUIVCF-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001606441156 1288320025 /nfs/dbraw/zinc/32/00/25/1288320025.db2.gz UKXCRRLZQJQNDD-DJSGYFEHSA-N 2 1 355.446 0.687 20 0 FCADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721595980 1288354316 /nfs/dbraw/zinc/35/43/16/1288354316.db2.gz HTKILHAQDRPRJX-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001723718444 1288427736 /nfs/dbraw/zinc/42/77/36/1288427736.db2.gz JHZFXBCOIHUYGL-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001723718444 1288427738 /nfs/dbraw/zinc/42/77/38/1288427738.db2.gz JHZFXBCOIHUYGL-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001723718444 1288427741 /nfs/dbraw/zinc/42/77/41/1288427741.db2.gz JHZFXBCOIHUYGL-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606763729 1288497705 /nfs/dbraw/zinc/49/77/05/1288497705.db2.gz KHZSBRKKIXSMKX-GOEBONIOSA-N 2 1 355.446 0.702 20 0 FCADMP O[C@@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC001607092791 1288658603 /nfs/dbraw/zinc/65/86/03/1288658603.db2.gz BWKMIRYNOUZYLU-INIZCTEOSA-N 2 1 358.446 0.745 20 0 FCADMP O[C@@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC001607092791 1288658605 /nfs/dbraw/zinc/65/86/05/1288658605.db2.gz BWKMIRYNOUZYLU-INIZCTEOSA-N 2 1 358.446 0.745 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001735719501 1288795638 /nfs/dbraw/zinc/79/56/38/1288795638.db2.gz QNPXYSBIOKSVCG-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609112160 1288925993 /nfs/dbraw/zinc/92/59/93/1288925993.db2.gz UUXNDPPRNMPKNI-AWEZNQCLSA-N 2 1 372.477 0.679 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001735883059 1288987233 /nfs/dbraw/zinc/98/72/33/1288987233.db2.gz LXQNRXUOKGGMJR-INMHGKMJSA-N 2 1 356.511 0.256 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC001691948052 1289349372 /nfs/dbraw/zinc/34/93/72/1289349372.db2.gz PXCMNGUWHLPVJH-RRFJBIMHSA-N 2 1 363.462 0.748 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001692082498 1289387831 /nfs/dbraw/zinc/38/78/31/1289387831.db2.gz BVJGQPHYZZZJKW-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001692082498 1289387837 /nfs/dbraw/zinc/38/78/37/1289387837.db2.gz BVJGQPHYZZZJKW-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC)CC[C@@H]2C1 ZINC001692082498 1289387841 /nfs/dbraw/zinc/38/78/41/1289387841.db2.gz BVJGQPHYZZZJKW-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001698998620 1289542063 /nfs/dbraw/zinc/54/20/63/1289542063.db2.gz FXUQUYQWCWFIMY-QRVBRYPASA-N 2 1 363.502 0.729 20 0 FCADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001698998620 1289542070 /nfs/dbraw/zinc/54/20/70/1289542070.db2.gz FXUQUYQWCWFIMY-QRVBRYPASA-N 2 1 363.502 0.729 20 0 FCADMP COC[C@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001698998620 1289542076 /nfs/dbraw/zinc/54/20/76/1289542076.db2.gz FXUQUYQWCWFIMY-QRVBRYPASA-N 2 1 363.502 0.729 20 0 FCADMP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309309 1289551810 /nfs/dbraw/zinc/55/18/10/1289551810.db2.gz XRERHVOSVVQMMO-SZXSIIMHSA-N 2 1 358.486 0.858 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001700195817 1289586366 /nfs/dbraw/zinc/58/63/66/1289586366.db2.gz JRGCOYJFROCDER-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001700195817 1289586372 /nfs/dbraw/zinc/58/63/72/1289586372.db2.gz JRGCOYJFROCDER-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001700195817 1289586382 /nfs/dbraw/zinc/58/63/82/1289586382.db2.gz JRGCOYJFROCDER-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615851944 1289763195 /nfs/dbraw/zinc/76/31/95/1289763195.db2.gz ZJBFZQODYAQMCM-YJBOKZPZSA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001615851944 1289763202 /nfs/dbraw/zinc/76/32/02/1289763202.db2.gz ZJBFZQODYAQMCM-YJBOKZPZSA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001615851944 1289763209 /nfs/dbraw/zinc/76/32/09/1289763209.db2.gz ZJBFZQODYAQMCM-YJBOKZPZSA-N 2 1 350.511 0.999 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001702313722 1290017695 /nfs/dbraw/zinc/01/76/95/1290017695.db2.gz WGBLHEQYXFDMPB-HZPDHXFCSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001702361565 1290130600 /nfs/dbraw/zinc/13/06/00/1290130600.db2.gz WHPXEOFLRCLUKG-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1C(N)=O ZINC001628813717 1290555942 /nfs/dbraw/zinc/55/59/42/1290555942.db2.gz HLTJSNRGDQGWAA-OAHLLOKOSA-N 2 1 359.474 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CCOCC(F)F)CC2)CC[N@H+]1C ZINC001755154285 1290640441 /nfs/dbraw/zinc/64/04/41/1290640441.db2.gz JSSPJMPDQCJRKK-ZIAGYGMSSA-N 2 1 363.449 0.551 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001660775564 1291671933 /nfs/dbraw/zinc/67/19/33/1291671933.db2.gz ANGGFQHBPCIPRQ-UKRRQHHQSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001660775564 1291671942 /nfs/dbraw/zinc/67/19/42/1291671942.db2.gz ANGGFQHBPCIPRQ-UKRRQHHQSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001661427151 1291693966 /nfs/dbraw/zinc/69/39/66/1291693966.db2.gz RFRZUQKUEAYDHU-BASLNEPJSA-N 2 1 362.518 0.868 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001672368769 1292078763 /nfs/dbraw/zinc/07/87/63/1292078763.db2.gz HJHLXKACQGPZBL-DUQPFJRNSA-N 2 1 355.523 0.846 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001688105319 1293041502 /nfs/dbraw/zinc/04/15/02/1293041502.db2.gz IJMYZLDDGQRHDK-JLOCXQCDSA-N 2 1 350.507 0.632 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001688105319 1293041511 /nfs/dbraw/zinc/04/15/11/1293041511.db2.gz IJMYZLDDGQRHDK-JLOCXQCDSA-N 2 1 350.507 0.632 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001688105319 1293041520 /nfs/dbraw/zinc/04/15/20/1293041520.db2.gz IJMYZLDDGQRHDK-JLOCXQCDSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001688273371 1294478209 /nfs/dbraw/zinc/47/82/09/1294478209.db2.gz XBAXFXDLSZFVDE-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001688489407 1294498670 /nfs/dbraw/zinc/49/86/70/1294498670.db2.gz NOAZXXMRTJBWID-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001688489407 1294498677 /nfs/dbraw/zinc/49/86/77/1294498677.db2.gz NOAZXXMRTJBWID-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001688489407 1294498679 /nfs/dbraw/zinc/49/86/79/1294498679.db2.gz NOAZXXMRTJBWID-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001688489407 1294498685 /nfs/dbraw/zinc/49/86/85/1294498685.db2.gz NOAZXXMRTJBWID-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001689034027 1294579220 /nfs/dbraw/zinc/57/92/20/1294579220.db2.gz IEMYIRQGKGLNIU-RYQLBKOJSA-N 2 1 363.506 0.682 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689239552 1294701710 /nfs/dbraw/zinc/70/17/10/1294701710.db2.gz RLPBHNBVEUMQSX-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001689338243 1294759932 /nfs/dbraw/zinc/75/99/32/1294759932.db2.gz KWIIJWNKGWTLKB-SQNIBIBYSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001690469788 1294867007 /nfs/dbraw/zinc/86/70/07/1294867007.db2.gz BSEATOLLYCMNDU-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCn2c(C)csc2=O)CC[N@H+]1C ZINC001690943530 1294893682 /nfs/dbraw/zinc/89/36/82/1294893682.db2.gz JCPGXZJWSAZWRG-LSDHHAIUSA-N 2 1 354.520 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCn2c(C)csc2=O)CC[NH+]1C ZINC001690943530 1294893692 /nfs/dbraw/zinc/89/36/92/1294893692.db2.gz JCPGXZJWSAZWRG-LSDHHAIUSA-N 2 1 354.520 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCn2c(C)csc2=O)CC[NH+]1C ZINC001690943530 1294893702 /nfs/dbraw/zinc/89/37/02/1294893702.db2.gz JCPGXZJWSAZWRG-LSDHHAIUSA-N 2 1 354.520 0.997 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001691659527 1294906718 /nfs/dbraw/zinc/90/67/18/1294906718.db2.gz MFYXKVRSUSDTOC-ARFHVFGLSA-N 2 1 351.495 0.228 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164684392 719720342 /nfs/dbraw/zinc/72/03/42/719720342.db2.gz GXCJKNKLLVEPQD-UHFFFAOYSA-N 2 1 359.430 0.593 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164684392 719720345 /nfs/dbraw/zinc/72/03/45/719720345.db2.gz GXCJKNKLLVEPQD-UHFFFAOYSA-N 2 1 359.430 0.593 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164722314 720275291 /nfs/dbraw/zinc/27/52/91/720275291.db2.gz PQJNRSUBACLWIK-LJQANCHMSA-N 2 1 361.490 0.514 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164722314 720275299 /nfs/dbraw/zinc/27/52/99/720275299.db2.gz PQJNRSUBACLWIK-LJQANCHMSA-N 2 1 361.490 0.514 20 0 FCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@H+]3C2)cn1 ZINC001164740903 720806966 /nfs/dbraw/zinc/80/69/66/720806966.db2.gz AWIGVWWUTGURBK-HUUCEWRRSA-N 2 1 353.430 0.295 20 0 FCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164867997 721064405 /nfs/dbraw/zinc/06/44/05/721064405.db2.gz LVFWTQQJFGJZOC-SJORKVTESA-N 2 1 366.469 0.997 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941811 837568891 /nfs/dbraw/zinc/56/88/91/837568891.db2.gz ABYFCEFGPNBVIC-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941811 837568906 /nfs/dbraw/zinc/56/89/06/837568906.db2.gz ABYFCEFGPNBVIC-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941811 837568912 /nfs/dbraw/zinc/56/89/12/837568912.db2.gz ABYFCEFGPNBVIC-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941811 837568920 /nfs/dbraw/zinc/56/89/20/837568920.db2.gz ABYFCEFGPNBVIC-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275522 837642432 /nfs/dbraw/zinc/64/24/32/837642432.db2.gz QKJLMNRXNQCYPG-JKIFEVAISA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@@H]2CCCO2)C3)O1 ZINC001072849484 837745785 /nfs/dbraw/zinc/74/57/85/837745785.db2.gz FHZIOMXBPSDLEB-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@@H]2CCCO2)C3)O1 ZINC001072849484 837745796 /nfs/dbraw/zinc/74/57/96/837745796.db2.gz FHZIOMXBPSDLEB-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC[C@@H]2CCCO2)C3)O1 ZINC001072849484 837745805 /nfs/dbraw/zinc/74/58/05/837745805.db2.gz FHZIOMXBPSDLEB-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC[C@@H]2CCCO2)C3)O1 ZINC001072849484 837745814 /nfs/dbraw/zinc/74/58/14/837745814.db2.gz FHZIOMXBPSDLEB-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001073238870 837760228 /nfs/dbraw/zinc/76/02/28/837760228.db2.gz XWOVSUKMTHAWDK-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001073238870 837760239 /nfs/dbraw/zinc/76/02/39/837760239.db2.gz XWOVSUKMTHAWDK-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171558 844086814 /nfs/dbraw/zinc/08/68/14/844086814.db2.gz FDHUDPPRPICJHI-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171558 844086823 /nfs/dbraw/zinc/08/68/23/844086823.db2.gz FDHUDPPRPICJHI-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171558 844086829 /nfs/dbraw/zinc/08/68/29/844086829.db2.gz FDHUDPPRPICJHI-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171558 844086839 /nfs/dbraw/zinc/08/68/39/844086839.db2.gz FDHUDPPRPICJHI-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101240661 844116500 /nfs/dbraw/zinc/11/65/00/844116500.db2.gz DEFRVTKRSSOMLD-LMMKCTJWSA-N 2 1 351.491 0.117 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257846 844122891 /nfs/dbraw/zinc/12/28/91/844122891.db2.gz PDXUTTPNGMGBNS-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257846 844122902 /nfs/dbraw/zinc/12/29/02/844122902.db2.gz PDXUTTPNGMGBNS-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC)C[C@@]2(C)C1 ZINC001101257846 844122908 /nfs/dbraw/zinc/12/29/08/844122908.db2.gz PDXUTTPNGMGBNS-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266414 844126084 /nfs/dbraw/zinc/12/60/84/844126084.db2.gz ASUROAJFETVRFX-QAPCUYQASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266813 844126838 /nfs/dbraw/zinc/12/68/38/844126838.db2.gz WRYDZBZVXLLCJX-QAPCUYQASA-N 2 1 350.507 0.776 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000745824651 836154293 /nfs/dbraw/zinc/15/42/93/836154293.db2.gz KPISLESVCLWNHH-KRWDZBQOSA-N 2 1 356.511 0.897 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342982 844152426 /nfs/dbraw/zinc/15/24/26/844152426.db2.gz XLEOVIGDTISVJO-QAPCUYQASA-N 2 1 350.507 0.635 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345220 844152895 /nfs/dbraw/zinc/15/28/95/844152895.db2.gz ZOPPPIHTNWSJCU-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001101352855 844155875 /nfs/dbraw/zinc/15/58/75/844155875.db2.gz MMYBUFSUGCAWRX-OGWOLHLISA-N 2 1 350.507 0.633 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101353231 844156138 /nfs/dbraw/zinc/15/61/38/844156138.db2.gz WSGVUUSTLBPBQY-SUMDDJOVSA-N 2 1 352.523 0.879 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400313 844174798 /nfs/dbraw/zinc/17/47/98/844174798.db2.gz QKYSQPMPJPWGHD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101417507 844179227 /nfs/dbraw/zinc/17/92/27/844179227.db2.gz QNAJHURPGXFGTB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101417507 844179235 /nfs/dbraw/zinc/17/92/35/844179235.db2.gz QNAJHURPGXFGTB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101417507 844179241 /nfs/dbraw/zinc/17/92/41/844179241.db2.gz QNAJHURPGXFGTB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061741512 836712759 /nfs/dbraw/zinc/71/27/59/836712759.db2.gz SSUZNNWOGDQYRF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061741512 836712768 /nfs/dbraw/zinc/71/27/68/836712768.db2.gz SSUZNNWOGDQYRF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061741512 836712770 /nfs/dbraw/zinc/71/27/70/836712770.db2.gz SSUZNNWOGDQYRF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063221710 836757657 /nfs/dbraw/zinc/75/76/57/836757657.db2.gz IDGPJNLYUGNXCK-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063221710 836757663 /nfs/dbraw/zinc/75/76/63/836757663.db2.gz IDGPJNLYUGNXCK-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063221710 836757674 /nfs/dbraw/zinc/75/76/74/836757674.db2.gz IDGPJNLYUGNXCK-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001063227590 836758788 /nfs/dbraw/zinc/75/87/88/836758788.db2.gz WMACAGJGAPAVLN-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001063227590 836758793 /nfs/dbraw/zinc/75/87/93/836758793.db2.gz WMACAGJGAPAVLN-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001063227590 836758798 /nfs/dbraw/zinc/75/87/98/836758798.db2.gz WMACAGJGAPAVLN-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474278 844199192 /nfs/dbraw/zinc/19/91/92/844199192.db2.gz QVIDWPQOUIRMSC-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063494150 836771412 /nfs/dbraw/zinc/77/14/12/836771412.db2.gz CCVVWYPOUCCWKR-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063494150 836771419 /nfs/dbraw/zinc/77/14/19/836771419.db2.gz CCVVWYPOUCCWKR-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065540403 836843758 /nfs/dbraw/zinc/84/37/58/836843758.db2.gz QUPFVWMYFRTZDA-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815818 844279096 /nfs/dbraw/zinc/27/90/96/844279096.db2.gz UTHHDCTZWAZAAM-OAGGEKHMSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815818 844279100 /nfs/dbraw/zinc/27/91/00/844279100.db2.gz UTHHDCTZWAZAAM-OAGGEKHMSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815818 844279109 /nfs/dbraw/zinc/27/91/09/844279109.db2.gz UTHHDCTZWAZAAM-OAGGEKHMSA-N 2 1 353.511 0.472 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001076365900 837991536 /nfs/dbraw/zinc/99/15/36/837991536.db2.gz SGFTTXXRZMYJCB-OKZBNKHCSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001076365900 837991542 /nfs/dbraw/zinc/99/15/42/837991542.db2.gz SGFTTXXRZMYJCB-OKZBNKHCSA-N 2 1 351.491 0.668 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568164 838017936 /nfs/dbraw/zinc/01/79/36/838017936.db2.gz XQECHXCASCAWDT-GVDBMIGSSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568164 838017950 /nfs/dbraw/zinc/01/79/50/838017950.db2.gz XQECHXCASCAWDT-GVDBMIGSSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568164 838017962 /nfs/dbraw/zinc/01/79/62/838017962.db2.gz XQECHXCASCAWDT-GVDBMIGSSA-N 2 1 369.531 0.296 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999332 838205392 /nfs/dbraw/zinc/20/53/92/838205392.db2.gz NNASSQDASJTWRK-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023863 838222465 /nfs/dbraw/zinc/22/24/65/838222465.db2.gz WZXWNYYXNIHZEE-UIBBOPPKSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023863 838222478 /nfs/dbraw/zinc/22/24/78/838222478.db2.gz WZXWNYYXNIHZEE-UIBBOPPKSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023863 838222490 /nfs/dbraw/zinc/22/24/90/838222490.db2.gz WZXWNYYXNIHZEE-UIBBOPPKSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023863 838222503 /nfs/dbraw/zinc/22/25/03/838222503.db2.gz WZXWNYYXNIHZEE-UIBBOPPKSA-N 2 1 352.504 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3scnc3C)C[C@H]2O)CC[N@H+]1C ZINC001077027484 838226328 /nfs/dbraw/zinc/22/63/28/838226328.db2.gz KXMKYBHLZYCOQM-ZJIFWQFVSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3scnc3C)C[C@H]2O)CC[NH+]1C ZINC001077027484 838226340 /nfs/dbraw/zinc/22/63/40/838226340.db2.gz KXMKYBHLZYCOQM-ZJIFWQFVSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3scnc3C)C[C@H]2O)CC[NH+]1C ZINC001077027484 838226354 /nfs/dbraw/zinc/22/63/54/838226354.db2.gz KXMKYBHLZYCOQM-ZJIFWQFVSA-N 2 1 366.531 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974628 844356384 /nfs/dbraw/zinc/35/63/84/844356384.db2.gz JJMROGBJKZQLOM-IAGOWNOFSA-N 2 1 355.523 0.944 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976275 844357910 /nfs/dbraw/zinc/35/79/10/844357910.db2.gz UHYADZJKCOWFHK-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128161 838751996 /nfs/dbraw/zinc/75/19/96/838751996.db2.gz ZNRHKHBQDYSMEG-KBAYOESNSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128161 838752007 /nfs/dbraw/zinc/75/20/07/838752007.db2.gz ZNRHKHBQDYSMEG-KBAYOESNSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128161 838752014 /nfs/dbraw/zinc/75/20/14/838752014.db2.gz ZNRHKHBQDYSMEG-KBAYOESNSA-N 2 1 353.507 0.695 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102015724 844374313 /nfs/dbraw/zinc/37/43/13/844374313.db2.gz PEAREZUQABNRJQ-IIAWOOMASA-N 2 1 356.486 0.629 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047534 844393994 /nfs/dbraw/zinc/39/39/94/844393994.db2.gz KOEZLLSZXVAAEA-KYJSFNMBSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077582525 839054406 /nfs/dbraw/zinc/05/44/06/839054406.db2.gz KCURWUXKMRJNFT-BZUAXINKSA-N 2 1 351.447 0.685 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077582525 839054415 /nfs/dbraw/zinc/05/44/15/839054415.db2.gz KCURWUXKMRJNFT-BZUAXINKSA-N 2 1 351.447 0.685 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048723 844395561 /nfs/dbraw/zinc/39/55/61/844395561.db2.gz MQSXVFQSJUNAQE-KYJSFNMBSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077618405 839072600 /nfs/dbraw/zinc/07/26/00/839072600.db2.gz HPMHYTUBHQFIBV-FGTMMUONSA-N 2 1 353.507 0.431 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001077685362 839113097 /nfs/dbraw/zinc/11/30/97/839113097.db2.gz MQNVEGHIHHEJRS-BHUNQDJPSA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001077685362 839113104 /nfs/dbraw/zinc/11/31/04/839113104.db2.gz MQNVEGHIHHEJRS-BHUNQDJPSA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001077685362 839113107 /nfs/dbraw/zinc/11/31/07/839113107.db2.gz MQNVEGHIHHEJRS-BHUNQDJPSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077765526 839144180 /nfs/dbraw/zinc/14/41/80/839144180.db2.gz RRANXPDOHLBOAM-BZUAXINKSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077765526 839144183 /nfs/dbraw/zinc/14/41/83/839144183.db2.gz RRANXPDOHLBOAM-BZUAXINKSA-N 2 1 350.463 0.737 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104366 844416121 /nfs/dbraw/zinc/41/61/21/844416121.db2.gz RTMURUXHOQUVQN-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104366 844416125 /nfs/dbraw/zinc/41/61/25/844416125.db2.gz RTMURUXHOQUVQN-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104366 844416128 /nfs/dbraw/zinc/41/61/28/844416128.db2.gz RTMURUXHOQUVQN-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104365 844416747 /nfs/dbraw/zinc/41/67/47/844416747.db2.gz RTMURUXHOQUVQN-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104365 844416753 /nfs/dbraw/zinc/41/67/53/844416753.db2.gz RTMURUXHOQUVQN-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104365 844416757 /nfs/dbraw/zinc/41/67/57/844416757.db2.gz RTMURUXHOQUVQN-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001078012243 839292173 /nfs/dbraw/zinc/29/21/73/839292173.db2.gz YPWNVNRMYVPNMI-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114734 844420874 /nfs/dbraw/zinc/42/08/74/844420874.db2.gz ALCWFVRHVZJTNU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102114734 844420883 /nfs/dbraw/zinc/42/08/83/844420883.db2.gz ALCWFVRHVZJTNU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102114734 844420887 /nfs/dbraw/zinc/42/08/87/844420887.db2.gz ALCWFVRHVZJTNU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174606 839379756 /nfs/dbraw/zinc/37/97/56/839379756.db2.gz QGCSEBSDCAZSBI-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174606 839379770 /nfs/dbraw/zinc/37/97/70/839379770.db2.gz QGCSEBSDCAZSBI-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174606 839379784 /nfs/dbraw/zinc/37/97/84/839379784.db2.gz QGCSEBSDCAZSBI-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174606 839379793 /nfs/dbraw/zinc/37/97/93/839379793.db2.gz QGCSEBSDCAZSBI-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175565 839382357 /nfs/dbraw/zinc/38/23/57/839382357.db2.gz BFGZHAUBZJIYAI-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175565 839382369 /nfs/dbraw/zinc/38/23/69/839382369.db2.gz BFGZHAUBZJIYAI-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175565 839382379 /nfs/dbraw/zinc/38/23/79/839382379.db2.gz BFGZHAUBZJIYAI-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175565 839382391 /nfs/dbraw/zinc/38/23/91/839382391.db2.gz BFGZHAUBZJIYAI-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175658 839382550 /nfs/dbraw/zinc/38/25/50/839382550.db2.gz GLIHCTOPIANRKJ-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175658 839382563 /nfs/dbraw/zinc/38/25/63/839382563.db2.gz GLIHCTOPIANRKJ-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175658 839382579 /nfs/dbraw/zinc/38/25/79/839382579.db2.gz GLIHCTOPIANRKJ-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175658 839382592 /nfs/dbraw/zinc/38/25/92/839382592.db2.gz GLIHCTOPIANRKJ-KBRIMQKVSA-N 2 1 351.422 0.318 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)s1 ZINC001078403981 839457028 /nfs/dbraw/zinc/45/70/28/839457028.db2.gz OJOYEVZOKQGTOZ-VHDGCEQUSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)s1 ZINC001078403981 839457032 /nfs/dbraw/zinc/45/70/32/839457032.db2.gz OJOYEVZOKQGTOZ-VHDGCEQUSA-N 2 1 367.519 0.894 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191376 844439937 /nfs/dbraw/zinc/43/99/37/844439937.db2.gz YCTSUBDCEKKENT-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161111 839675631 /nfs/dbraw/zinc/67/56/31/839675631.db2.gz MYVNMAJBZGXLBG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161111 839675636 /nfs/dbraw/zinc/67/56/36/839675636.db2.gz MYVNMAJBZGXLBG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncs2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161111 839675641 /nfs/dbraw/zinc/67/56/41/839675641.db2.gz MYVNMAJBZGXLBG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncs2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161111 839675646 /nfs/dbraw/zinc/67/56/46/839675646.db2.gz MYVNMAJBZGXLBG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080448743 839727179 /nfs/dbraw/zinc/72/71/79/839727179.db2.gz AMVKOSHKHCJONU-IIAWOOMASA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080448743 839727184 /nfs/dbraw/zinc/72/71/84/839727184.db2.gz AMVKOSHKHCJONU-IIAWOOMASA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080448743 839727190 /nfs/dbraw/zinc/72/71/90/839727190.db2.gz AMVKOSHKHCJONU-IIAWOOMASA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080448743 839727194 /nfs/dbraw/zinc/72/71/94/839727194.db2.gz AMVKOSHKHCJONU-IIAWOOMASA-N 2 1 366.531 0.997 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558915 839746347 /nfs/dbraw/zinc/74/63/47/839746347.db2.gz KOGFRVSLELAKCX-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558915 839746358 /nfs/dbraw/zinc/74/63/58/839746358.db2.gz KOGFRVSLELAKCX-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667403 839773760 /nfs/dbraw/zinc/77/37/60/839773760.db2.gz BYHITEYVVAWOBW-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368328 844478074 /nfs/dbraw/zinc/47/80/74/844478074.db2.gz PPYMJZKGBHKLNF-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368328 844478082 /nfs/dbraw/zinc/47/80/82/844478082.db2.gz PPYMJZKGBHKLNF-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368328 844478089 /nfs/dbraw/zinc/47/80/89/844478089.db2.gz PPYMJZKGBHKLNF-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369966 844478162 /nfs/dbraw/zinc/47/81/62/844478162.db2.gz MLCJTLPRRKMSGW-GVDBMIGSSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369966 844478168 /nfs/dbraw/zinc/47/81/68/844478168.db2.gz MLCJTLPRRKMSGW-GVDBMIGSSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369966 844478171 /nfs/dbraw/zinc/47/81/71/844478171.db2.gz MLCJTLPRRKMSGW-GVDBMIGSSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370106 844478371 /nfs/dbraw/zinc/47/83/71/844478371.db2.gz REKIWFVPYKUQNH-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370106 844478375 /nfs/dbraw/zinc/47/83/75/844478375.db2.gz REKIWFVPYKUQNH-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370106 844478377 /nfs/dbraw/zinc/47/83/77/844478377.db2.gz REKIWFVPYKUQNH-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369752 844478400 /nfs/dbraw/zinc/47/84/00/844478400.db2.gz GDEHYSJDMGRGDQ-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369752 844478401 /nfs/dbraw/zinc/47/84/01/844478401.db2.gz GDEHYSJDMGRGDQ-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369752 844478403 /nfs/dbraw/zinc/47/84/03/844478403.db2.gz GDEHYSJDMGRGDQ-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102376939 844480239 /nfs/dbraw/zinc/48/02/39/844480239.db2.gz FJBOJTUHCKTXDB-OAGGEKHMSA-N 2 1 356.511 0.163 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081673068 839994860 /nfs/dbraw/zinc/99/48/60/839994860.db2.gz VVVHOXXZNOIQEO-BRWVUGGUSA-N 2 1 364.515 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081673068 839994869 /nfs/dbraw/zinc/99/48/69/839994869.db2.gz VVVHOXXZNOIQEO-BRWVUGGUSA-N 2 1 364.515 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686526 839999493 /nfs/dbraw/zinc/99/94/93/839999493.db2.gz YQCIKKGATCWSNO-FVQBIDKESA-N 2 1 355.458 0.622 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691786 840001037 /nfs/dbraw/zinc/00/10/37/840001037.db2.gz QLIZNJYKDZPZPP-ODVANORSSA-N 2 1 350.463 0.947 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691786 840001045 /nfs/dbraw/zinc/00/10/45/840001045.db2.gz QLIZNJYKDZPZPP-ODVANORSSA-N 2 1 350.463 0.947 20 0 FCADMP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691786 840001050 /nfs/dbraw/zinc/00/10/50/840001050.db2.gz QLIZNJYKDZPZPP-ODVANORSSA-N 2 1 350.463 0.947 20 0 FCADMP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691786 840001062 /nfs/dbraw/zinc/00/10/62/840001062.db2.gz QLIZNJYKDZPZPP-ODVANORSSA-N 2 1 350.463 0.947 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102463747 844507460 /nfs/dbraw/zinc/50/74/60/844507460.db2.gz BUEZBDJYDJILDW-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102463747 844507468 /nfs/dbraw/zinc/50/74/68/844507468.db2.gz BUEZBDJYDJILDW-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095875 840183433 /nfs/dbraw/zinc/18/34/33/840183433.db2.gz MVRNUAZRCBQBJW-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102473966 844516012 /nfs/dbraw/zinc/51/60/12/844516012.db2.gz YNIFGGAJTFFGQX-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480409 844519397 /nfs/dbraw/zinc/51/93/97/844519397.db2.gz PCGNQFPPJHVVIS-IAGOWNOFSA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480167 844519531 /nfs/dbraw/zinc/51/95/31/844519531.db2.gz ARELATMKVWDXPX-IAGOWNOFSA-N 2 1 352.523 0.927 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371100 840357410 /nfs/dbraw/zinc/35/74/10/840357410.db2.gz SUZUJGVNNGHBHG-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371100 840357420 /nfs/dbraw/zinc/35/74/20/840357420.db2.gz SUZUJGVNNGHBHG-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102497414 844530961 /nfs/dbraw/zinc/53/09/61/844530961.db2.gz RWFLJFUPRUTNPK-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102497414 844530963 /nfs/dbraw/zinc/53/09/63/844530963.db2.gz RWFLJFUPRUTNPK-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102497414 844530965 /nfs/dbraw/zinc/53/09/65/844530965.db2.gz RWFLJFUPRUTNPK-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2OC)o1 ZINC001082392695 840385415 /nfs/dbraw/zinc/38/54/15/840385415.db2.gz VJDZIEQCPKARNO-NVXWUHKLSA-N 2 1 353.463 0.933 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511307 844542001 /nfs/dbraw/zinc/54/20/01/844542001.db2.gz RMQFIFMSRWHTIR-BZUAXINKSA-N 2 1 356.511 0.163 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511104 844542172 /nfs/dbraw/zinc/54/21/72/844542172.db2.gz JMEDKYNCNYHPBM-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082590497 840479534 /nfs/dbraw/zinc/47/95/34/840479534.db2.gz ZIUDJCQEIHSQHZ-RRCSTGOVSA-N 2 1 369.897 0.692 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082590497 840479539 /nfs/dbraw/zinc/47/95/39/840479539.db2.gz ZIUDJCQEIHSQHZ-RRCSTGOVSA-N 2 1 369.897 0.692 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082596430 840481229 /nfs/dbraw/zinc/48/12/29/840481229.db2.gz LDCKTTKIHNDIJK-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082612613 840493330 /nfs/dbraw/zinc/49/33/30/840493330.db2.gz WTDUKCPCDPUCBZ-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513242 844544991 /nfs/dbraw/zinc/54/49/91/844544991.db2.gz BCCIUXADGQSQND-HZPDHXFCSA-N 2 1 356.511 0.021 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515467 844546619 /nfs/dbraw/zinc/54/66/19/844546619.db2.gz VAWJXTLSQZRFQQ-HZPDHXFCSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccns1 ZINC001082653619 840513181 /nfs/dbraw/zinc/51/31/81/840513181.db2.gz UGOZFGBBTJNFMZ-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102524649 844551470 /nfs/dbraw/zinc/55/14/70/844551470.db2.gz PJGIADXKDCDRRA-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102524649 844551472 /nfs/dbraw/zinc/55/14/72/844551472.db2.gz PJGIADXKDCDRRA-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102524649 844551474 /nfs/dbraw/zinc/55/14/74/844551474.db2.gz PJGIADXKDCDRRA-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102524649 844551475 /nfs/dbraw/zinc/55/14/75/844551475.db2.gz PJGIADXKDCDRRA-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102525835 844553623 /nfs/dbraw/zinc/55/36/23/844553623.db2.gz XPTZDEMVFFDCKI-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102525835 844553632 /nfs/dbraw/zinc/55/36/32/844553632.db2.gz XPTZDEMVFFDCKI-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102525835 844553636 /nfs/dbraw/zinc/55/36/36/844553636.db2.gz XPTZDEMVFFDCKI-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082920875 840602475 /nfs/dbraw/zinc/60/24/75/840602475.db2.gz JRDJXDNIBIQPJM-VNHYZAJKSA-N 2 1 369.487 0.571 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)noc3C)C2)C1 ZINC001082933757 840613276 /nfs/dbraw/zinc/61/32/76/840613276.db2.gz IQSAAQBQIVOCHS-JLZZUVOBSA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3c(C)noc3C)C2)C1 ZINC001082933757 840613280 /nfs/dbraw/zinc/61/32/80/840613280.db2.gz IQSAAQBQIVOCHS-JLZZUVOBSA-N 2 1 350.463 0.949 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)C1=O ZINC001102579082 844572621 /nfs/dbraw/zinc/57/26/21/844572621.db2.gz HMFAINUVKDJXJV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578124 844572999 /nfs/dbraw/zinc/57/29/99/844572999.db2.gz MJYHOLPYXPENKU-JHJVBQTASA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578124 844573002 /nfs/dbraw/zinc/57/30/02/844573002.db2.gz MJYHOLPYXPENKU-JHJVBQTASA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578124 844573005 /nfs/dbraw/zinc/57/30/05/844573005.db2.gz MJYHOLPYXPENKU-JHJVBQTASA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578124 844573011 /nfs/dbraw/zinc/57/30/11/844573011.db2.gz MJYHOLPYXPENKU-JHJVBQTASA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579727 844574397 /nfs/dbraw/zinc/57/43/97/844574397.db2.gz MNDAFTCGMYREAA-BRWVUGGUSA-N 2 1 371.547 0.591 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102580024 844574730 /nfs/dbraw/zinc/57/47/30/844574730.db2.gz BJIPCIJHQHSXTQ-HZPDHXFCSA-N 2 1 353.511 0.474 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579921 844575267 /nfs/dbraw/zinc/57/52/67/844575267.db2.gz XEUWJUMMSZLYHI-BRWVUGGUSA-N 2 1 371.547 0.591 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083213831 840801551 /nfs/dbraw/zinc/80/15/51/840801551.db2.gz UQXXIGZNQMPRPC-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274953 840856070 /nfs/dbraw/zinc/85/60/70/840856070.db2.gz IIKXXZWUOHIHRG-CWRNSKLLSA-N 2 1 350.488 0.549 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274953 840856084 /nfs/dbraw/zinc/85/60/84/840856084.db2.gz IIKXXZWUOHIHRG-CWRNSKLLSA-N 2 1 350.488 0.549 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274953 840856097 /nfs/dbraw/zinc/85/60/97/840856097.db2.gz IIKXXZWUOHIHRG-CWRNSKLLSA-N 2 1 350.488 0.549 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274953 840856106 /nfs/dbraw/zinc/85/61/06/840856106.db2.gz IIKXXZWUOHIHRG-CWRNSKLLSA-N 2 1 350.488 0.549 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083274903 840856769 /nfs/dbraw/zinc/85/67/69/840856769.db2.gz FXIQLZGTQOXFQO-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275921 840858702 /nfs/dbraw/zinc/85/87/02/840858702.db2.gz CPPXEBDXNAWRBU-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275921 840858710 /nfs/dbraw/zinc/85/87/10/840858710.db2.gz CPPXEBDXNAWRBU-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465920 841037883 /nfs/dbraw/zinc/03/78/83/841037883.db2.gz YIYQRHYETAEBFR-ZACQAIPSSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465920 841037891 /nfs/dbraw/zinc/03/78/91/841037891.db2.gz YIYQRHYETAEBFR-ZACQAIPSSA-N 2 1 364.515 0.763 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602031 841221755 /nfs/dbraw/zinc/22/17/55/841221755.db2.gz AHXTUYIMQWBERU-ZACQAIPSSA-N 2 1 351.491 0.593 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723622 841358848 /nfs/dbraw/zinc/35/88/48/841358848.db2.gz RXKQAXAXXMSBAF-IKGGRYGDSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723622 841358865 /nfs/dbraw/zinc/35/88/65/841358865.db2.gz RXKQAXAXXMSBAF-IKGGRYGDSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723622 841358876 /nfs/dbraw/zinc/35/88/76/841358876.db2.gz RXKQAXAXXMSBAF-IKGGRYGDSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723622 841358885 /nfs/dbraw/zinc/35/88/85/841358885.db2.gz RXKQAXAXXMSBAF-IKGGRYGDSA-N 2 1 367.515 0.561 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727234 841368873 /nfs/dbraw/zinc/36/88/73/841368873.db2.gz SDEJWOYVFOXDIB-MHEUCROKSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727234 841368884 /nfs/dbraw/zinc/36/88/84/841368884.db2.gz SDEJWOYVFOXDIB-MHEUCROKSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727234 841368892 /nfs/dbraw/zinc/36/88/92/841368892.db2.gz SDEJWOYVFOXDIB-MHEUCROKSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727234 841368904 /nfs/dbraw/zinc/36/89/04/841368904.db2.gz SDEJWOYVFOXDIB-MHEUCROKSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275799741 861196091 /nfs/dbraw/zinc/19/60/91/861196091.db2.gz MZBLUNZGFIRFCS-AWEZNQCLSA-N 2 1 350.488 0.552 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275799741 861196094 /nfs/dbraw/zinc/19/60/94/861196094.db2.gz MZBLUNZGFIRFCS-AWEZNQCLSA-N 2 1 350.488 0.552 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275799741 861196099 /nfs/dbraw/zinc/19/60/99/861196099.db2.gz MZBLUNZGFIRFCS-AWEZNQCLSA-N 2 1 350.488 0.552 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083749591 841392082 /nfs/dbraw/zinc/39/20/82/841392082.db2.gz HPMHYTUBHQFIBV-SQNIBIBYSA-N 2 1 353.507 0.431 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782792 841432241 /nfs/dbraw/zinc/43/22/41/841432241.db2.gz LZILYPAUQDNKRZ-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782792 841432248 /nfs/dbraw/zinc/43/22/48/841432248.db2.gz LZILYPAUQDNKRZ-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782792 841432255 /nfs/dbraw/zinc/43/22/55/841432255.db2.gz LZILYPAUQDNKRZ-IKGGRYGDSA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)C1 ZINC001083887624 841534540 /nfs/dbraw/zinc/53/45/40/841534540.db2.gz CCCJRAYSCGEFTI-HIEASXQVSA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)C1 ZINC001083887624 841534551 /nfs/dbraw/zinc/53/45/51/841534551.db2.gz CCCJRAYSCGEFTI-HIEASXQVSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083908459 841555306 /nfs/dbraw/zinc/55/53/06/841555306.db2.gz FGNSHTLYRZVOJY-NXHRZFHOSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954434 841601796 /nfs/dbraw/zinc/60/17/96/841601796.db2.gz ZMEHNDNPHRMDJP-ZNMIVQPWSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954434 841601802 /nfs/dbraw/zinc/60/18/02/841601802.db2.gz ZMEHNDNPHRMDJP-ZNMIVQPWSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954434 841601806 /nfs/dbraw/zinc/60/18/06/841601806.db2.gz ZMEHNDNPHRMDJP-ZNMIVQPWSA-N 2 1 352.504 0.497 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053947 841667619 /nfs/dbraw/zinc/66/76/19/841667619.db2.gz QGCSEBSDCAZSBI-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053947 841667626 /nfs/dbraw/zinc/66/76/26/841667626.db2.gz QGCSEBSDCAZSBI-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053947 841667633 /nfs/dbraw/zinc/66/76/33/841667633.db2.gz QGCSEBSDCAZSBI-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084053947 841667641 /nfs/dbraw/zinc/66/76/41/841667641.db2.gz QGCSEBSDCAZSBI-OIISXLGYSA-N 2 1 351.878 0.996 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCOCC4)C[C@H]32)O1 ZINC001084447415 841795402 /nfs/dbraw/zinc/79/54/02/841795402.db2.gz MMSUDKREGACKLE-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCOCC4)C[C@H]32)O1 ZINC001084447415 841795408 /nfs/dbraw/zinc/79/54/08/841795408.db2.gz MMSUDKREGACKLE-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC4CCOCC4)C[C@H]32)O1 ZINC001084447415 841795411 /nfs/dbraw/zinc/79/54/11/841795411.db2.gz MMSUDKREGACKLE-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC4CCOCC4)C[C@H]32)O1 ZINC001084447415 841795417 /nfs/dbraw/zinc/79/54/17/841795417.db2.gz MMSUDKREGACKLE-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP CCNC(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001275879390 861242817 /nfs/dbraw/zinc/24/28/17/861242817.db2.gz OFPWZKZJCVHOCZ-HZPDHXFCSA-N 2 1 350.507 0.683 20 0 FCADMP COC(CN1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881238 861246562 /nfs/dbraw/zinc/24/65/62/861246562.db2.gz YIUZQTQWIJMQJO-YJBOKZPZSA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O)OC ZINC001275881238 861246569 /nfs/dbraw/zinc/24/65/69/861246569.db2.gz YIUZQTQWIJMQJO-YJBOKZPZSA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O)OC ZINC001275881238 861246576 /nfs/dbraw/zinc/24/65/76/861246576.db2.gz YIUZQTQWIJMQJO-YJBOKZPZSA-N 2 1 355.479 0.250 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831335 841924702 /nfs/dbraw/zinc/92/47/02/841924702.db2.gz HWTPZZNNCFNXSS-BZUAXINKSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831335 841924705 /nfs/dbraw/zinc/92/47/05/841924705.db2.gz HWTPZZNNCFNXSS-BZUAXINKSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831335 841924710 /nfs/dbraw/zinc/92/47/10/841924710.db2.gz HWTPZZNNCFNXSS-BZUAXINKSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831335 841924714 /nfs/dbraw/zinc/92/47/14/841924714.db2.gz HWTPZZNNCFNXSS-BZUAXINKSA-N 2 1 364.515 0.703 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940345 841962088 /nfs/dbraw/zinc/96/20/88/841962088.db2.gz WIRIZLLTPCOLCJ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940345 841962094 /nfs/dbraw/zinc/96/20/94/841962094.db2.gz WIRIZLLTPCOLCJ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1)[NH+](C)C ZINC001084964767 841973175 /nfs/dbraw/zinc/97/31/75/841973175.db2.gz PLFDDYDPPWXOBM-RYRKJORJSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)CC[N@H+]1C ZINC001085202201 842043531 /nfs/dbraw/zinc/04/35/31/842043531.db2.gz RUVWXGGGGJNXGE-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001085421987 842097265 /nfs/dbraw/zinc/09/72/65/842097265.db2.gz DFNLQNVBQVUWOW-BRWVUGGUSA-N 2 1 371.547 0.780 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)C1 ZINC001085429210 842103500 /nfs/dbraw/zinc/10/35/00/842103500.db2.gz KMKZVIAXLFKUAL-RBSFLKMASA-N 2 1 353.492 0.776 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)C1 ZINC001085429210 842103504 /nfs/dbraw/zinc/10/35/04/842103504.db2.gz KMKZVIAXLFKUAL-RBSFLKMASA-N 2 1 353.492 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090995 842119212 /nfs/dbraw/zinc/11/92/12/842119212.db2.gz CBQDLOPGCKXGPF-ZOFXXKQRSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCc3ccns3)C2)O1 ZINC001086119881 842122634 /nfs/dbraw/zinc/12/26/34/842122634.db2.gz DRSBIYFRDKUOLZ-HGTKMLMNSA-N 2 1 352.504 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCc3ccns3)C2)O1 ZINC001086119881 842122647 /nfs/dbraw/zinc/12/26/47/842122647.db2.gz DRSBIYFRDKUOLZ-HGTKMLMNSA-N 2 1 352.504 0.889 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001086665484 842145879 /nfs/dbraw/zinc/14/58/79/842145879.db2.gz GHZCWBVEXSSKGT-NUEKZKHPSA-N 2 1 369.897 0.742 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001086665484 842145885 /nfs/dbraw/zinc/14/58/85/842145885.db2.gz GHZCWBVEXSSKGT-NUEKZKHPSA-N 2 1 369.897 0.742 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001086874903 842186778 /nfs/dbraw/zinc/18/67/78/842186778.db2.gz XRHYYTURKPXWCK-BFHYXJOUSA-N 2 1 351.451 0.542 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086874903 842186784 /nfs/dbraw/zinc/18/67/84/842186784.db2.gz XRHYYTURKPXWCK-BFHYXJOUSA-N 2 1 351.451 0.542 20 0 FCADMP C[C@H]1CC2(CN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC[NH+](CCCO)CC2 ZINC001086928474 842192825 /nfs/dbraw/zinc/19/28/25/842192825.db2.gz FMXSZIXAUDGJQL-GVDBMIGSSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H]1CC2(CN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC[NH+](CCCO)CC2 ZINC001086928474 842192829 /nfs/dbraw/zinc/19/28/29/842192829.db2.gz FMXSZIXAUDGJQL-GVDBMIGSSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC001086925317 842192953 /nfs/dbraw/zinc/19/29/53/842192953.db2.gz SSBXXZFADITKJL-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087035094 842232077 /nfs/dbraw/zinc/23/20/77/842232077.db2.gz LFQYXHDWJMIHAY-HZSPNIEDSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087096715 842286190 /nfs/dbraw/zinc/28/61/90/842286190.db2.gz YYQSTFSBEQAKAW-RBSFLKMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087100946 842289784 /nfs/dbraw/zinc/28/97/84/842289784.db2.gz MDYWBTDUMVHAGT-RRFJBIMHSA-N 2 1 350.467 0.018 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087101100 842290124 /nfs/dbraw/zinc/29/01/24/842290124.db2.gz SSUJODIKQTXRLM-RRFJBIMHSA-N 2 1 367.519 0.751 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)NC1CC1 ZINC001087578547 842362027 /nfs/dbraw/zinc/36/20/27/842362027.db2.gz AVUOYHSEGRILGV-MWDXBVQZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)NC1CC1 ZINC001087578547 842362033 /nfs/dbraw/zinc/36/20/33/842362033.db2.gz AVUOYHSEGRILGV-MWDXBVQZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2CC)CC[NH+]1C ZINC001087578547 842362041 /nfs/dbraw/zinc/36/20/41/842362041.db2.gz AVUOYHSEGRILGV-MWDXBVQZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2CC)CC[NH+]1C ZINC001087578547 842362056 /nfs/dbraw/zinc/36/20/56/842362056.db2.gz AVUOYHSEGRILGV-MWDXBVQZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCN1CCCC1=O ZINC001087726671 842416873 /nfs/dbraw/zinc/41/68/73/842416873.db2.gz NYDXRVAXNGKPOS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087726671 842416880 /nfs/dbraw/zinc/41/68/80/842416880.db2.gz NYDXRVAXNGKPOS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087726671 842416888 /nfs/dbraw/zinc/41/68/88/842416888.db2.gz NYDXRVAXNGKPOS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971737 842485451 /nfs/dbraw/zinc/48/54/51/842485451.db2.gz QCSMILNEWMWHIV-LVQVYYBASA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971737 842485456 /nfs/dbraw/zinc/48/54/56/842485456.db2.gz QCSMILNEWMWHIV-LVQVYYBASA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971737 842485458 /nfs/dbraw/zinc/48/54/58/842485458.db2.gz QCSMILNEWMWHIV-LVQVYYBASA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971737 842485464 /nfs/dbraw/zinc/48/54/64/842485464.db2.gz QCSMILNEWMWHIV-LVQVYYBASA-N 2 1 357.520 0.152 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993116 842494466 /nfs/dbraw/zinc/49/44/66/842494466.db2.gz AAPCJKRRYWQLKS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993116 842494470 /nfs/dbraw/zinc/49/44/70/842494470.db2.gz AAPCJKRRYWQLKS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993116 842494478 /nfs/dbraw/zinc/49/44/78/842494478.db2.gz AAPCJKRRYWQLKS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999327 842495725 /nfs/dbraw/zinc/49/57/25/842495725.db2.gz GCJUGUILFSTPMJ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999327 842495728 /nfs/dbraw/zinc/49/57/28/842495728.db2.gz GCJUGUILFSTPMJ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999327 842495732 /nfs/dbraw/zinc/49/57/32/842495732.db2.gz GCJUGUILFSTPMJ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088010672 842500458 /nfs/dbraw/zinc/50/04/58/842500458.db2.gz FLGITADSEYFIIB-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211731 842562781 /nfs/dbraw/zinc/56/27/81/842562781.db2.gz XENCITOONUVSCU-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088817018 842686494 /nfs/dbraw/zinc/68/64/94/842686494.db2.gz YMDANLVNTBNUGC-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088817018 842686500 /nfs/dbraw/zinc/68/65/00/842686500.db2.gz YMDANLVNTBNUGC-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001088817018 842686505 /nfs/dbraw/zinc/68/65/05/842686505.db2.gz YMDANLVNTBNUGC-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001088817018 842686508 /nfs/dbraw/zinc/68/65/08/842686508.db2.gz YMDANLVNTBNUGC-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983510 842734098 /nfs/dbraw/zinc/73/40/98/842734098.db2.gz AHRRBZPSCNOYDT-CABCVRRESA-N 2 1 364.515 0.893 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983510 842734104 /nfs/dbraw/zinc/73/41/04/842734104.db2.gz AHRRBZPSCNOYDT-CABCVRRESA-N 2 1 364.515 0.893 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088983838 842735419 /nfs/dbraw/zinc/73/54/19/842735419.db2.gz QUMQMQKVKRXEGO-ZBFHGGJFSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088983838 842735421 /nfs/dbraw/zinc/73/54/21/842735421.db2.gz QUMQMQKVKRXEGO-ZBFHGGJFSA-N 2 1 369.531 0.486 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090493651 842833531 /nfs/dbraw/zinc/83/35/31/842833531.db2.gz WJBMTQHJSAROAX-RRFJBIMHSA-N 2 1 353.442 0.439 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721240 843082109 /nfs/dbraw/zinc/08/21/09/843082109.db2.gz XBEJLKWUHSMZKB-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721240 843082125 /nfs/dbraw/zinc/08/21/25/843082125.db2.gz XBEJLKWUHSMZKB-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721240 843082138 /nfs/dbraw/zinc/08/21/38/843082138.db2.gz XBEJLKWUHSMZKB-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721240 843082150 /nfs/dbraw/zinc/08/21/50/843082150.db2.gz XBEJLKWUHSMZKB-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731753 843083038 /nfs/dbraw/zinc/08/30/38/843083038.db2.gz VKZZNMSKUIKVBU-FCEWJHQRSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731753 843083040 /nfs/dbraw/zinc/08/30/40/843083040.db2.gz VKZZNMSKUIKVBU-FCEWJHQRSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731753 843083053 /nfs/dbraw/zinc/08/30/53/843083053.db2.gz VKZZNMSKUIKVBU-FCEWJHQRSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091734968 843086373 /nfs/dbraw/zinc/08/63/73/843086373.db2.gz DHLDGSKZNQPZKA-RKVPGOIHSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741005 843086553 /nfs/dbraw/zinc/08/65/53/843086553.db2.gz VYZJIJRQFBAQJB-CLCXKQKWSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741005 843086563 /nfs/dbraw/zinc/08/65/63/843086563.db2.gz VYZJIJRQFBAQJB-CLCXKQKWSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741005 843086575 /nfs/dbraw/zinc/08/65/75/843086575.db2.gz VYZJIJRQFBAQJB-CLCXKQKWSA-N 2 1 350.507 0.728 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754054 843087513 /nfs/dbraw/zinc/08/75/13/843087513.db2.gz AVQGOGSRPUSIHG-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754054 843087524 /nfs/dbraw/zinc/08/75/24/843087524.db2.gz AVQGOGSRPUSIHG-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754054 843087535 /nfs/dbraw/zinc/08/75/35/843087535.db2.gz AVQGOGSRPUSIHG-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754054 843087543 /nfs/dbraw/zinc/08/75/43/843087543.db2.gz AVQGOGSRPUSIHG-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071136 843153028 /nfs/dbraw/zinc/15/30/28/843153028.db2.gz IAUACVNYZILJFB-GMBSWORKSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071471 843153170 /nfs/dbraw/zinc/15/31/70/843153170.db2.gz XOUWZMZIORAIRS-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071471 843153173 /nfs/dbraw/zinc/15/31/73/843153173.db2.gz XOUWZMZIORAIRS-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071471 843153178 /nfs/dbraw/zinc/15/31/78/843153178.db2.gz XOUWZMZIORAIRS-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071137 843153595 /nfs/dbraw/zinc/15/35/95/843153595.db2.gz IAUACVNYZILJFB-OGWOLHLISA-N 2 1 350.507 0.633 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199218 843168633 /nfs/dbraw/zinc/16/86/33/843168633.db2.gz HIKVIRFHOWZMFB-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199218 843168642 /nfs/dbraw/zinc/16/86/42/843168642.db2.gz HIKVIRFHOWZMFB-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199218 843168651 /nfs/dbraw/zinc/16/86/51/843168651.db2.gz HIKVIRFHOWZMFB-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199218 843168656 /nfs/dbraw/zinc/16/86/56/843168656.db2.gz HIKVIRFHOWZMFB-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001092302922 843182446 /nfs/dbraw/zinc/18/24/46/843182446.db2.gz GJXWJGSUORSZBB-SUMDDJOVSA-N 2 1 350.507 0.763 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001092302921 843182764 /nfs/dbraw/zinc/18/27/64/843182764.db2.gz GJXWJGSUORSZBB-AYBZRNKSSA-N 2 1 350.507 0.763 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302028 843182929 /nfs/dbraw/zinc/18/29/29/843182929.db2.gz PWUPAZMTZUTCIW-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302028 843182938 /nfs/dbraw/zinc/18/29/38/843182938.db2.gz PWUPAZMTZUTCIW-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302028 843182945 /nfs/dbraw/zinc/18/29/45/843182945.db2.gz PWUPAZMTZUTCIW-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302028 843182954 /nfs/dbraw/zinc/18/29/54/843182954.db2.gz PWUPAZMTZUTCIW-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001092621226 843255595 /nfs/dbraw/zinc/25/55/95/843255595.db2.gz WAPJEEIVEVXDRK-KLHDSHLOSA-N 2 1 351.495 0.036 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001092621226 843255609 /nfs/dbraw/zinc/25/56/09/843255609.db2.gz WAPJEEIVEVXDRK-KLHDSHLOSA-N 2 1 351.495 0.036 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@H+]1C ZINC001092621226 843255622 /nfs/dbraw/zinc/25/56/22/843255622.db2.gz WAPJEEIVEVXDRK-KLHDSHLOSA-N 2 1 351.495 0.036 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208761 843407363 /nfs/dbraw/zinc/40/73/63/843407363.db2.gz FQQPDBWJQHILAB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208761 843407367 /nfs/dbraw/zinc/40/73/67/843407367.db2.gz FQQPDBWJQHILAB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208761 843407371 /nfs/dbraw/zinc/40/73/71/843407371.db2.gz FQQPDBWJQHILAB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2C)C1 ZINC001093208761 843407377 /nfs/dbraw/zinc/40/73/77/843407377.db2.gz FQQPDBWJQHILAB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211893 843410009 /nfs/dbraw/zinc/41/00/09/843410009.db2.gz GSCBGCQDPHUHFS-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211893 843410016 /nfs/dbraw/zinc/41/00/16/843410016.db2.gz GSCBGCQDPHUHFS-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211893 843410020 /nfs/dbraw/zinc/41/00/20/843410020.db2.gz GSCBGCQDPHUHFS-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211893 843410025 /nfs/dbraw/zinc/41/00/25/843410025.db2.gz GSCBGCQDPHUHFS-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093280274 843420174 /nfs/dbraw/zinc/42/01/74/843420174.db2.gz MRYJNRFULMOQEL-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001093459614 843436912 /nfs/dbraw/zinc/43/69/12/843436912.db2.gz VDZAEPIQQKQZFX-LMSBXDPUSA-N 2 1 350.463 0.150 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OC3C[NH+](C[C@@H](C)O)C3)CC2)CC[N@@H+]1C ZINC001093537447 843441823 /nfs/dbraw/zinc/44/18/23/843441823.db2.gz UYGMFDXTTVZJRI-FHLIZLRMSA-N 2 1 353.507 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OC3C[NH+](C[C@@H](C)O)C3)CC2)CC[N@H+]1C ZINC001093537447 843441832 /nfs/dbraw/zinc/44/18/32/843441832.db2.gz UYGMFDXTTVZJRI-FHLIZLRMSA-N 2 1 353.507 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OC3C[NH+](CCCO)C3)CC2)CC[N@@H+]1C ZINC001093537148 843441881 /nfs/dbraw/zinc/44/18/81/843441881.db2.gz HECTYVGVRGQOPF-ZWKOTPCHSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OC3C[NH+](CCCO)C3)CC2)CC[N@H+]1C ZINC001093537148 843441890 /nfs/dbraw/zinc/44/18/90/843441890.db2.gz HECTYVGVRGQOPF-ZWKOTPCHSA-N 2 1 353.507 0.791 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690758 843456907 /nfs/dbraw/zinc/45/69/07/843456907.db2.gz DVAOQTFJUMAENI-MRVWCRGKSA-N 2 1 353.492 0.361 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690758 843456911 /nfs/dbraw/zinc/45/69/11/843456911.db2.gz DVAOQTFJUMAENI-MRVWCRGKSA-N 2 1 353.492 0.361 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001093857748 843480256 /nfs/dbraw/zinc/48/02/56/843480256.db2.gz VVUOWKFJKPHXQX-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001093857748 843480261 /nfs/dbraw/zinc/48/02/61/843480261.db2.gz VVUOWKFJKPHXQX-QHSBEEBCSA-N 2 1 367.519 0.750 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094219237 843530756 /nfs/dbraw/zinc/53/07/56/843530756.db2.gz GPBNKLPSTGHGOQ-DJIMGWMZSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094219976 843532645 /nfs/dbraw/zinc/53/26/45/843532645.db2.gz YYTURLARWMQSCW-RBSFLKMASA-N 2 1 352.458 0.383 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC(C)C)C3)C2)CC[N@H+]1C ZINC001094740256 843697167 /nfs/dbraw/zinc/69/71/67/843697167.db2.gz NAXGQSXJCSRPKG-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C/C=C/Cl)CCO)CC2)O1 ZINC001098404867 843915782 /nfs/dbraw/zinc/91/57/82/843915782.db2.gz WHLYNVDWBHBMCH-CQEQRNRBSA-N 2 1 359.898 0.743 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C/C=C/Cl)CCO)CC2)O1 ZINC001098404867 843915784 /nfs/dbraw/zinc/91/57/84/843915784.db2.gz WHLYNVDWBHBMCH-CQEQRNRBSA-N 2 1 359.898 0.743 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C/C=C/Cl)CCO)CC2)O1 ZINC001098404867 843915786 /nfs/dbraw/zinc/91/57/86/843915786.db2.gz WHLYNVDWBHBMCH-CQEQRNRBSA-N 2 1 359.898 0.743 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C/C=C/Cl)CCO)CC2)O1 ZINC001098404867 843915790 /nfs/dbraw/zinc/91/57/90/843915790.db2.gz WHLYNVDWBHBMCH-CQEQRNRBSA-N 2 1 359.898 0.743 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099028094 843956811 /nfs/dbraw/zinc/95/68/11/843956811.db2.gz RYXFRWGMWXMVLE-KHYOSLBOSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099028094 843956814 /nfs/dbraw/zinc/95/68/14/843956814.db2.gz RYXFRWGMWXMVLE-KHYOSLBOSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099028094 843956817 /nfs/dbraw/zinc/95/68/17/843956817.db2.gz RYXFRWGMWXMVLE-KHYOSLBOSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099261105 843994722 /nfs/dbraw/zinc/99/47/22/843994722.db2.gz KOFBSNYZORARNL-BFHYXJOUSA-N 2 1 351.413 0.936 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780999 844646409 /nfs/dbraw/zinc/64/64/09/844646409.db2.gz ZEAOWXUVLSHMCJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780999 844646414 /nfs/dbraw/zinc/64/64/14/844646414.db2.gz ZEAOWXUVLSHMCJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780999 844646417 /nfs/dbraw/zinc/64/64/17/844646417.db2.gz ZEAOWXUVLSHMCJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)CC[NH+]1C ZINC001103004973 844683602 /nfs/dbraw/zinc/68/36/02/844683602.db2.gz INRSTIVJTGARCS-KCYZZUKISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001103004973 844683606 /nfs/dbraw/zinc/68/36/06/844683606.db2.gz INRSTIVJTGARCS-KCYZZUKISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001103004973 844683611 /nfs/dbraw/zinc/68/36/11/844683611.db2.gz INRSTIVJTGARCS-KCYZZUKISA-N 2 1 350.507 0.679 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103049739 844689299 /nfs/dbraw/zinc/68/92/99/844689299.db2.gz CESPZXKXZHQUPC-ZACQAIPSSA-N 2 1 361.502 0.749 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103136457 844705413 /nfs/dbraw/zinc/70/54/13/844705413.db2.gz DJUVPDMCNVPBGF-OWCLPIDISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148149 844707647 /nfs/dbraw/zinc/70/76/47/844707647.db2.gz PWSRRVUQNGOOCW-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148149 844707653 /nfs/dbraw/zinc/70/76/53/844707653.db2.gz PWSRRVUQNGOOCW-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148149 844707658 /nfs/dbraw/zinc/70/76/58/844707658.db2.gz PWSRRVUQNGOOCW-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174724 844716420 /nfs/dbraw/zinc/71/64/20/844716420.db2.gz ZNDXKJIKPZGPPE-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174724 844716427 /nfs/dbraw/zinc/71/64/27/844716427.db2.gz ZNDXKJIKPZGPPE-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174724 844716434 /nfs/dbraw/zinc/71/64/34/844716434.db2.gz ZNDXKJIKPZGPPE-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374609 844744272 /nfs/dbraw/zinc/74/42/72/844744272.db2.gz KZIKWUQKCZGEAQ-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001103398471 844750941 /nfs/dbraw/zinc/75/09/41/844750941.db2.gz UJQDWOOUOUNAKD-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001103520232 844772587 /nfs/dbraw/zinc/77/25/87/844772587.db2.gz JQBWABNZRNHBTM-HZPDHXFCSA-N 2 1 351.495 0.515 20 0 FCADMP Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103642128 844793770 /nfs/dbraw/zinc/79/37/70/844793770.db2.gz RLKLPDWZFJVVGJ-UKRRQHHQSA-N 2 1 353.467 0.530 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001103681383 844799274 /nfs/dbraw/zinc/79/92/74/844799274.db2.gz DXESJMPQXFKOFG-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001103681383 844799280 /nfs/dbraw/zinc/79/92/80/844799280.db2.gz DXESJMPQXFKOFG-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001103681383 844799285 /nfs/dbraw/zinc/79/92/85/844799285.db2.gz DXESJMPQXFKOFG-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719104 844807125 /nfs/dbraw/zinc/80/71/25/844807125.db2.gz QRLYBFZUDGZCJY-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719104 844807127 /nfs/dbraw/zinc/80/71/27/844807127.db2.gz QRLYBFZUDGZCJY-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719104 844807136 /nfs/dbraw/zinc/80/71/36/844807136.db2.gz QRLYBFZUDGZCJY-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719105 844807856 /nfs/dbraw/zinc/80/78/56/844807856.db2.gz QRLYBFZUDGZCJY-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719105 844807859 /nfs/dbraw/zinc/80/78/59/844807859.db2.gz QRLYBFZUDGZCJY-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719105 844807862 /nfs/dbraw/zinc/80/78/62/844807862.db2.gz QRLYBFZUDGZCJY-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104290567 844891109 /nfs/dbraw/zinc/89/11/09/844891109.db2.gz CPKGJRMFDUARKY-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680014 844932799 /nfs/dbraw/zinc/93/27/99/844932799.db2.gz OAVPIXKSVWRDAX-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104793772 844944334 /nfs/dbraw/zinc/94/43/34/844944334.db2.gz HUEQKSUFSINQNF-HZPDHXFCSA-N 2 1 354.495 0.048 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104908039 844958476 /nfs/dbraw/zinc/95/84/76/844958476.db2.gz GEHXCLVLOYWHSG-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104932688 844960748 /nfs/dbraw/zinc/96/07/48/844960748.db2.gz HODQHNLFEBAULS-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001105007586 844968313 /nfs/dbraw/zinc/96/83/13/844968313.db2.gz CBCZEODJVIPMER-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001105008092 844968904 /nfs/dbraw/zinc/96/89/04/844968904.db2.gz PLTJPANGFWKNAC-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105945031 845063188 /nfs/dbraw/zinc/06/31/88/845063188.db2.gz IPIBDPKCIDVWGH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C)C1CC1 ZINC001105944870 845064115 /nfs/dbraw/zinc/06/41/15/845064115.db2.gz BXBNTFYFLALWBC-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001105945221 845064880 /nfs/dbraw/zinc/06/48/80/845064880.db2.gz PNUNTCWKXBWFNI-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106322650 845154116 /nfs/dbraw/zinc/15/41/16/845154116.db2.gz PIFIXHBVCFRCET-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357524 845163141 /nfs/dbraw/zinc/16/31/41/845163141.db2.gz CDKVGYUYHPAESS-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106433157 845174816 /nfs/dbraw/zinc/17/48/16/845174816.db2.gz CTEBCQHYOUVWKD-IIAWOOMASA-N 2 1 370.519 0.556 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106582236 845200684 /nfs/dbraw/zinc/20/06/84/845200684.db2.gz XKIKDENUSSOHSF-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001106767649 845247858 /nfs/dbraw/zinc/24/78/58/845247858.db2.gz LLTSMBHUXIEYTD-IAGOWNOFSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106839359 845264218 /nfs/dbraw/zinc/26/42/18/845264218.db2.gz DJGWDPTWXGIDFN-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106839387 845265551 /nfs/dbraw/zinc/26/55/51/845265551.db2.gz FKLSHLKAWAXCHL-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106905289 845283471 /nfs/dbraw/zinc/28/34/71/845283471.db2.gz JANMLRDPHMSHAS-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106910943 845284144 /nfs/dbraw/zinc/28/41/44/845284144.db2.gz WVYUCOSVJKOCHO-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981126 845298689 /nfs/dbraw/zinc/29/86/89/845298689.db2.gz GSDGJDAPNDSHRW-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039286 845316577 /nfs/dbraw/zinc/31/65/77/845316577.db2.gz PGJLHCQAXGFPLX-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001107042292 845316770 /nfs/dbraw/zinc/31/67/70/845316770.db2.gz FLRKGULQAFYSGA-ZACQAIPSSA-N 2 1 351.495 0.268 20 0 FCADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2)C1CCC1 ZINC001107439411 845373414 /nfs/dbraw/zinc/37/34/14/845373414.db2.gz ZZMFAFIUJROMRT-IEBWSBKVSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C1CCC1 ZINC001107439411 845373422 /nfs/dbraw/zinc/37/34/22/845373422.db2.gz ZZMFAFIUJROMRT-IEBWSBKVSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C1CCC1 ZINC001107439411 845373432 /nfs/dbraw/zinc/37/34/32/845373432.db2.gz ZZMFAFIUJROMRT-IEBWSBKVSA-N 2 1 353.507 0.840 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495730 845385099 /nfs/dbraw/zinc/38/50/99/845385099.db2.gz UTACOPRGGVWEGL-DNVCBOLYSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276766065 861591579 /nfs/dbraw/zinc/59/15/79/861591579.db2.gz FSUFFWHCRCGBAG-TXPKVOOTSA-N 2 1 350.507 0.729 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646135 845704322 /nfs/dbraw/zinc/70/43/22/845704322.db2.gz KKUIVQMCANJAPQ-WCVJEAGWSA-N 2 1 351.447 0.684 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646135 845704328 /nfs/dbraw/zinc/70/43/28/845704328.db2.gz KKUIVQMCANJAPQ-WCVJEAGWSA-N 2 1 351.447 0.684 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643645 845704449 /nfs/dbraw/zinc/70/44/49/845704449.db2.gz SUNWIAZYYBAEIV-KSWRQPAISA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643645 845704455 /nfs/dbraw/zinc/70/44/55/845704455.db2.gz SUNWIAZYYBAEIV-KSWRQPAISA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643645 845704462 /nfs/dbraw/zinc/70/44/62/845704462.db2.gz SUNWIAZYYBAEIV-KSWRQPAISA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643645 845704471 /nfs/dbraw/zinc/70/44/71/845704471.db2.gz SUNWIAZYYBAEIV-KSWRQPAISA-N 2 1 350.507 0.963 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001110102176 845789915 /nfs/dbraw/zinc/78/99/15/845789915.db2.gz WCHIZJVAZRHVLR-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001110102176 845789921 /nfs/dbraw/zinc/78/99/21/845789921.db2.gz WCHIZJVAZRHVLR-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709750 845953780 /nfs/dbraw/zinc/95/37/80/845953780.db2.gz KKTMXAYODPXONG-TWMKSMIVSA-N 2 1 351.491 0.591 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765926 845970688 /nfs/dbraw/zinc/97/06/88/845970688.db2.gz YJXJWSBKUQFARB-ZACQAIPSSA-N 2 1 351.491 0.999 20 0 FCADMP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001110962518 846001697 /nfs/dbraw/zinc/00/16/97/846001697.db2.gz UKLARLGVSLMWOP-FPCVCCKLSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001110962518 846001701 /nfs/dbraw/zinc/00/17/01/846001701.db2.gz UKLARLGVSLMWOP-FPCVCCKLSA-N 2 1 359.536 0.730 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110961013 846002137 /nfs/dbraw/zinc/00/21/37/846002137.db2.gz OQEDQWGDBFZMFT-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001110994251 846010579 /nfs/dbraw/zinc/01/05/79/846010579.db2.gz VDXFLQRIFPNAMH-LVQVYYBASA-N 2 1 351.495 0.319 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001110994251 846010585 /nfs/dbraw/zinc/01/05/85/846010585.db2.gz VDXFLQRIFPNAMH-LVQVYYBASA-N 2 1 351.495 0.319 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001111028895 846018426 /nfs/dbraw/zinc/01/84/26/846018426.db2.gz VZQURNSLXIFPNJ-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001111028895 846018430 /nfs/dbraw/zinc/01/84/30/846018430.db2.gz VZQURNSLXIFPNJ-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001111028895 846018437 /nfs/dbraw/zinc/01/84/37/846018437.db2.gz VZQURNSLXIFPNJ-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)CC(C)(C)C ZINC001111028895 846018444 /nfs/dbraw/zinc/01/84/44/846018444.db2.gz VZQURNSLXIFPNJ-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198232 846059408 /nfs/dbraw/zinc/05/94/08/846059408.db2.gz PMGKXXFVNMUJAR-IDCNUPLLSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274563 846075137 /nfs/dbraw/zinc/07/51/37/846075137.db2.gz HZZURTQJSMFKNA-HZMVEIRTSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274563 846075144 /nfs/dbraw/zinc/07/51/44/846075144.db2.gz HZZURTQJSMFKNA-HZMVEIRTSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274563 846075153 /nfs/dbraw/zinc/07/51/53/846075153.db2.gz HZZURTQJSMFKNA-HZMVEIRTSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274563 846075160 /nfs/dbraw/zinc/07/51/60/846075160.db2.gz HZZURTQJSMFKNA-HZMVEIRTSA-N 2 1 350.507 0.917 20 0 FCADMP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466151 846117843 /nfs/dbraw/zinc/11/78/43/846117843.db2.gz KKNZOCLPQQOZFG-OAGGEKHMSA-N 2 1 374.551 0.378 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466151 846117848 /nfs/dbraw/zinc/11/78/48/846117848.db2.gz KKNZOCLPQQOZFG-OAGGEKHMSA-N 2 1 374.551 0.378 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466151 846117852 /nfs/dbraw/zinc/11/78/52/846117852.db2.gz KKNZOCLPQQOZFG-OAGGEKHMSA-N 2 1 374.551 0.378 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466151 846117858 /nfs/dbraw/zinc/11/78/58/846117858.db2.gz KKNZOCLPQQOZFG-OAGGEKHMSA-N 2 1 374.551 0.378 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494346 846128022 /nfs/dbraw/zinc/12/80/22/846128022.db2.gz KXUQBJKOZRLHNN-TVFCKZIOSA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2)[NH+](C)C ZINC001111788943 846206464 /nfs/dbraw/zinc/20/64/64/846206464.db2.gz QFELAMSOVFCCNE-UXLLHSPISA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2)[NH+](C)C ZINC001111788943 846206472 /nfs/dbraw/zinc/20/64/72/846206472.db2.gz QFELAMSOVFCCNE-UXLLHSPISA-N 2 1 359.536 0.732 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851886 846230267 /nfs/dbraw/zinc/23/02/67/846230267.db2.gz SFGJLMKTSZJOGA-WSRJKRBPSA-N 2 1 353.507 0.695 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851886 846230278 /nfs/dbraw/zinc/23/02/78/846230278.db2.gz SFGJLMKTSZJOGA-WSRJKRBPSA-N 2 1 353.507 0.695 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851886 846230289 /nfs/dbraw/zinc/23/02/89/846230289.db2.gz SFGJLMKTSZJOGA-WSRJKRBPSA-N 2 1 353.507 0.695 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855696 846232025 /nfs/dbraw/zinc/23/20/25/846232025.db2.gz IQRJIVWMXDKQNF-LPHOPBHVSA-N 2 1 353.507 0.962 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1(CS(C)(=O)=O)CC1)C2 ZINC001111861298 846235877 /nfs/dbraw/zinc/23/58/77/846235877.db2.gz GGKCMUJCTMZEIL-YJBOKZPZSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1(CS(C)(=O)=O)CC1)C2 ZINC001111861298 846235886 /nfs/dbraw/zinc/23/58/86/846235886.db2.gz GGKCMUJCTMZEIL-YJBOKZPZSA-N 2 1 371.547 0.734 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864425 846236230 /nfs/dbraw/zinc/23/62/30/846236230.db2.gz OZSWNYSSNFEZMQ-SCTDSRPQSA-N 2 1 355.523 0.942 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111909917 846256945 /nfs/dbraw/zinc/25/69/45/846256945.db2.gz NTVUKMMUOGTGJS-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111909917 846256952 /nfs/dbraw/zinc/25/69/52/846256952.db2.gz NTVUKMMUOGTGJS-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111927110 846262676 /nfs/dbraw/zinc/26/26/76/846262676.db2.gz ZOHDRVLEBMIBEM-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111927110 846262683 /nfs/dbraw/zinc/26/26/83/846262683.db2.gz ZOHDRVLEBMIBEM-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111927110 846262692 /nfs/dbraw/zinc/26/26/92/846262692.db2.gz ZOHDRVLEBMIBEM-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939762 846270437 /nfs/dbraw/zinc/27/04/37/846270437.db2.gz QZLLRGNWUCUUTM-YOEHRIQHSA-N 2 1 367.519 0.895 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939762 846270446 /nfs/dbraw/zinc/27/04/46/846270446.db2.gz QZLLRGNWUCUUTM-YOEHRIQHSA-N 2 1 367.519 0.895 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111952583 846274520 /nfs/dbraw/zinc/27/45/20/846274520.db2.gz PCUUCKFEAWPJNZ-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111952583 846274522 /nfs/dbraw/zinc/27/45/22/846274522.db2.gz PCUUCKFEAWPJNZ-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111952583 846274531 /nfs/dbraw/zinc/27/45/31/846274531.db2.gz PCUUCKFEAWPJNZ-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983541 846281083 /nfs/dbraw/zinc/28/10/83/846281083.db2.gz MYQSYQNCGYTEHV-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983541 846281092 /nfs/dbraw/zinc/28/10/92/846281092.db2.gz MYQSYQNCGYTEHV-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983541 846281102 /nfs/dbraw/zinc/28/11/02/846281102.db2.gz MYQSYQNCGYTEHV-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004080 846291026 /nfs/dbraw/zinc/29/10/26/846291026.db2.gz LISIYWGKYICGGO-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004500 846291057 /nfs/dbraw/zinc/29/10/57/846291057.db2.gz GNXYEAZZIUHKAY-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001112009665 846294986 /nfs/dbraw/zinc/29/49/86/846294986.db2.gz OAEJUGYYJRGEOC-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001112009665 846294992 /nfs/dbraw/zinc/29/49/92/846294992.db2.gz OAEJUGYYJRGEOC-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001112009665 846294997 /nfs/dbraw/zinc/29/49/97/846294997.db2.gz OAEJUGYYJRGEOC-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103413 846384191 /nfs/dbraw/zinc/38/41/91/846384191.db2.gz FDGGWDLZXFKKEK-DDHJBXDOSA-N 2 1 350.385 0.052 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103413 846384195 /nfs/dbraw/zinc/38/41/95/846384195.db2.gz FDGGWDLZXFKKEK-DDHJBXDOSA-N 2 1 350.385 0.052 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112124615 846402725 /nfs/dbraw/zinc/40/27/25/846402725.db2.gz ODXRRVZCWNJCFT-YNEHKIRRSA-N 2 1 369.428 0.703 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001112160135 846425802 /nfs/dbraw/zinc/42/58/02/846425802.db2.gz UIUITECZOCANOA-VXGBXAGGSA-N 2 1 366.428 0.832 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167542 846430781 /nfs/dbraw/zinc/43/07/81/846430781.db2.gz QNWDIOARSIVULH-UPJWGTAASA-N 2 1 366.428 0.832 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112182109 846441749 /nfs/dbraw/zinc/44/17/49/846441749.db2.gz PFYAWCZUAUEUNP-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194030 846452359 /nfs/dbraw/zinc/45/23/59/846452359.db2.gz IUWGPHXJUKRWJG-YNEHKIRRSA-N 2 1 364.412 0.395 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194030 846452362 /nfs/dbraw/zinc/45/23/62/846452362.db2.gz IUWGPHXJUKRWJG-YNEHKIRRSA-N 2 1 364.412 0.395 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206445 846463045 /nfs/dbraw/zinc/46/30/45/846463045.db2.gz PURNPTUXEFFPND-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206445 846463050 /nfs/dbraw/zinc/46/30/50/846463050.db2.gz PURNPTUXEFFPND-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112209010 846466190 /nfs/dbraw/zinc/46/61/90/846466190.db2.gz VGMQBDPDAKLFFY-UPJWGTAASA-N 2 1 353.385 0.068 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112209010 846466196 /nfs/dbraw/zinc/46/61/96/846466196.db2.gz VGMQBDPDAKLFFY-UPJWGTAASA-N 2 1 353.385 0.068 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211929 846468606 /nfs/dbraw/zinc/46/86/06/846468606.db2.gz DIYJGURTTSJBCF-JHJVBQTASA-N 2 1 355.401 0.313 20 0 FCADMP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2)C(N)=O ZINC001112401624 846501256 /nfs/dbraw/zinc/50/12/56/846501256.db2.gz OUGHHSGICMOGQO-QOKNQOGYSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112529825 846516101 /nfs/dbraw/zinc/51/61/01/846516101.db2.gz QWGBCFGNQDARGG-BQFCYCMXSA-N 2 1 371.547 0.591 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112529826 846516621 /nfs/dbraw/zinc/51/66/21/846516621.db2.gz QWGBCFGNQDARGG-RYRKJORJSA-N 2 1 371.547 0.591 20 0 FCADMP COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545946 846520553 /nfs/dbraw/zinc/52/05/53/846520553.db2.gz MCZSTPOJTUBWDZ-HKUYNNGSSA-N 2 1 353.507 0.964 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112563708 846525231 /nfs/dbraw/zinc/52/52/31/846525231.db2.gz JZSQMSLUQQLGEO-BQFCYCMXSA-N 2 1 371.547 0.591 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112586421 846531979 /nfs/dbraw/zinc/53/19/79/846531979.db2.gz YGMWXSKMOUMAIB-FCEWJHQRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112586051 846532164 /nfs/dbraw/zinc/53/21/64/846532164.db2.gz FEWVEFOXAKDTMY-LPHOPBHVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114304783 846550981 /nfs/dbraw/zinc/55/09/81/846550981.db2.gz YPODVLPIQMMCLU-DEQQHWRFSA-N 2 1 350.507 0.678 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001114304783 846550984 /nfs/dbraw/zinc/55/09/84/846550984.db2.gz YPODVLPIQMMCLU-DEQQHWRFSA-N 2 1 350.507 0.678 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114304783 846550986 /nfs/dbraw/zinc/55/09/86/846550986.db2.gz YPODVLPIQMMCLU-DEQQHWRFSA-N 2 1 350.507 0.678 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114304783 846550992 /nfs/dbraw/zinc/55/09/92/846550992.db2.gz YPODVLPIQMMCLU-DEQQHWRFSA-N 2 1 350.507 0.678 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453995 846551808 /nfs/dbraw/zinc/55/18/08/846551808.db2.gz UXKSVAFZUUXGIX-SFFUCWETSA-N 2 1 353.507 0.815 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453995 846551817 /nfs/dbraw/zinc/55/18/17/846551817.db2.gz UXKSVAFZUUXGIX-SFFUCWETSA-N 2 1 353.507 0.815 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114453995 846551826 /nfs/dbraw/zinc/55/18/26/846551826.db2.gz UXKSVAFZUUXGIX-SFFUCWETSA-N 2 1 353.507 0.815 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114453995 846551837 /nfs/dbraw/zinc/55/18/37/846551837.db2.gz UXKSVAFZUUXGIX-SFFUCWETSA-N 2 1 353.507 0.815 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001116577403 846710192 /nfs/dbraw/zinc/71/01/92/846710192.db2.gz FHKXQNIVTFBRAL-ZNMIVQPWSA-N 2 1 357.520 0.532 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001116577403 846710198 /nfs/dbraw/zinc/71/01/98/846710198.db2.gz FHKXQNIVTFBRAL-ZNMIVQPWSA-N 2 1 357.520 0.532 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116855286 846786721 /nfs/dbraw/zinc/78/67/21/846786721.db2.gz WBZVMGOGPHSQPT-JZXOWHBKSA-N 2 1 352.523 0.578 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116855286 846786724 /nfs/dbraw/zinc/78/67/24/846786724.db2.gz WBZVMGOGPHSQPT-JZXOWHBKSA-N 2 1 352.523 0.578 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116876724 846791623 /nfs/dbraw/zinc/79/16/23/846791623.db2.gz DHKIRGKHNQGSPP-INIZCTEOSA-N 2 1 369.535 0.920 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC001117477928 847038787 /nfs/dbraw/zinc/03/87/87/847038787.db2.gz SXBZKAHZGOSCNM-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](CC(N)=O)C3)CC2)CC1 ZINC001118377864 847404286 /nfs/dbraw/zinc/40/42/86/847404286.db2.gz FZTWMYUODLSPGV-OAHLLOKOSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc(O)cc(F)c3)C2)OCC1=O ZINC001277205955 861792656 /nfs/dbraw/zinc/79/26/56/861792656.db2.gz NDOVERBDIUHABF-GOSISDBHSA-N 2 1 351.422 0.896 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc(O)cc(F)c3)C2)OCC1=O ZINC001277205955 861792659 /nfs/dbraw/zinc/79/26/59/861792659.db2.gz NDOVERBDIUHABF-GOSISDBHSA-N 2 1 351.422 0.896 20 0 FCADMP O=C(NCC[N@@H+]1CCCOCC1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001119297323 847806367 /nfs/dbraw/zinc/80/63/67/847806367.db2.gz JEWLQSGHWZXIOC-LLVKDONJSA-N 2 1 358.393 0.202 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001119297323 847806375 /nfs/dbraw/zinc/80/63/75/847806375.db2.gz JEWLQSGHWZXIOC-LLVKDONJSA-N 2 1 358.393 0.202 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cn1 ZINC001119764985 847968266 /nfs/dbraw/zinc/96/82/66/847968266.db2.gz DJKSHHAGNAALOO-JKSUJKDBSA-N 2 1 350.467 0.508 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1F ZINC001120966766 848303651 /nfs/dbraw/zinc/30/36/51/848303651.db2.gz GJNPGXBKXRDRMO-CYBMUJFWSA-N 2 1 352.410 0.525 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1F ZINC001120966766 848303656 /nfs/dbraw/zinc/30/36/56/848303656.db2.gz GJNPGXBKXRDRMO-CYBMUJFWSA-N 2 1 352.410 0.525 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001121928025 848419981 /nfs/dbraw/zinc/41/99/81/848419981.db2.gz MAIVPTVUGUORRK-SQNIBIBYSA-N 2 1 352.523 0.677 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C(C)=C/C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC001123506156 848599420 /nfs/dbraw/zinc/59/94/20/848599420.db2.gz VSFFZTKGAKNNQP-QYHCQRMFSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(\C)C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC001123506156 848599429 /nfs/dbraw/zinc/59/94/29/848599429.db2.gz VSFFZTKGAKNNQP-QYHCQRMFSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(\C)C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC001123506156 848599433 /nfs/dbraw/zinc/59/94/33/848599433.db2.gz VSFFZTKGAKNNQP-QYHCQRMFSA-N 2 1 350.507 0.849 20 0 FCADMP Cc1nc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1F ZINC001277531956 861921565 /nfs/dbraw/zinc/92/15/65/861921565.db2.gz UVEHEIRPNIKJAG-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1nc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1F ZINC001277531956 861921574 /nfs/dbraw/zinc/92/15/74/861921574.db2.gz UVEHEIRPNIKJAG-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCSC1 ZINC001123615451 848614039 /nfs/dbraw/zinc/61/40/39/848614039.db2.gz XCJUBKUHNJTYCQ-HNNXBMFYSA-N 2 1 358.508 0.172 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCSC1 ZINC001123615451 848614043 /nfs/dbraw/zinc/61/40/43/848614043.db2.gz XCJUBKUHNJTYCQ-HNNXBMFYSA-N 2 1 358.508 0.172 20 0 FCADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1cc(C)on1 ZINC001127643648 848730097 /nfs/dbraw/zinc/73/00/97/848730097.db2.gz FFPZQGKMXNXKNJ-MGPQQGTHSA-N 2 1 351.451 0.746 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001127701265 848733428 /nfs/dbraw/zinc/73/34/28/848733428.db2.gz MFZZRCCMIOZRKZ-QWHCGFSZSA-N 2 1 353.492 0.542 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830847 848778489 /nfs/dbraw/zinc/77/84/89/848778489.db2.gz ZTRKTDHYMVMJMZ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830847 848778494 /nfs/dbraw/zinc/77/84/94/848778494.db2.gz ZTRKTDHYMVMJMZ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830847 848778498 /nfs/dbraw/zinc/77/84/98/848778498.db2.gz ZTRKTDHYMVMJMZ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830847 848778505 /nfs/dbraw/zinc/77/85/05/848778505.db2.gz ZTRKTDHYMVMJMZ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052803 848801158 /nfs/dbraw/zinc/80/11/58/848801158.db2.gz NEFDSENTBUVXRX-IMJJTQAJSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@H](F)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052803 848801160 /nfs/dbraw/zinc/80/11/60/848801160.db2.gz NEFDSENTBUVXRX-IMJJTQAJSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@H](F)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052803 848801162 /nfs/dbraw/zinc/80/11/62/848801162.db2.gz NEFDSENTBUVXRX-IMJJTQAJSA-N 2 1 352.458 0.852 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228096 848819629 /nfs/dbraw/zinc/81/96/29/848819629.db2.gz CAQRZPYKZOHSFH-KGLIPLIRSA-N 2 1 363.491 0.536 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228096 848819632 /nfs/dbraw/zinc/81/96/32/848819632.db2.gz CAQRZPYKZOHSFH-KGLIPLIRSA-N 2 1 363.491 0.536 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233168 848821063 /nfs/dbraw/zinc/82/10/63/848821063.db2.gz GRPFGGPNDVEUIB-OWCLPIDISA-N 2 1 352.483 0.242 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276732 848824944 /nfs/dbraw/zinc/82/49/44/848824944.db2.gz SVSIERRBWGOMID-PMPSAXMXSA-N 2 1 352.483 0.385 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276732 848824949 /nfs/dbraw/zinc/82/49/49/848824949.db2.gz SVSIERRBWGOMID-PMPSAXMXSA-N 2 1 352.483 0.385 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348600 848834056 /nfs/dbraw/zinc/83/40/56/848834056.db2.gz VDYHRBYCOZFXQW-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129910050 848912965 /nfs/dbraw/zinc/91/29/65/848912965.db2.gz ACADGROWBSBHQJ-XDCDBXOZSA-N 2 1 352.870 0.856 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130011941 848930489 /nfs/dbraw/zinc/93/04/89/848930489.db2.gz GEZBPKSZRFBMNX-VBYRCMAHSA-N 2 1 352.870 0.856 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130075672 848940812 /nfs/dbraw/zinc/94/08/12/848940812.db2.gz ZQQAXNNRRYHVAH-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130233122 848981831 /nfs/dbraw/zinc/98/18/31/848981831.db2.gz YQWPKIRUEIBFHO-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130233122 848981835 /nfs/dbraw/zinc/98/18/35/848981835.db2.gz YQWPKIRUEIBFHO-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130621912 849021289 /nfs/dbraw/zinc/02/12/89/849021289.db2.gz GLPBXCZXAPVBFY-GOEBONIOSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130719246 849028465 /nfs/dbraw/zinc/02/84/65/849028465.db2.gz FVIGCVLOZHDSSE-HLLBOEOZSA-N 2 1 351.495 0.681 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]2)O1 ZINC001130809047 849047379 /nfs/dbraw/zinc/04/73/79/849047379.db2.gz DQYUPJJKPVOGAZ-GZBFAFLISA-N 2 1 352.483 0.837 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131115248 849080110 /nfs/dbraw/zinc/08/01/10/849080110.db2.gz GIUHXFAXCAIULA-HZPDHXFCSA-N 2 1 351.495 0.682 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131313388 849094688 /nfs/dbraw/zinc/09/46/88/849094688.db2.gz QEKOYVLKRMBYPT-KFWWJZLASA-N 2 1 356.442 0.404 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131313388 849094690 /nfs/dbraw/zinc/09/46/90/849094690.db2.gz QEKOYVLKRMBYPT-KFWWJZLASA-N 2 1 356.442 0.404 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131316069 849094812 /nfs/dbraw/zinc/09/48/12/849094812.db2.gz ALVKADALLHDHMN-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131316069 849094814 /nfs/dbraw/zinc/09/48/14/849094814.db2.gz ALVKADALLHDHMN-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC)C[C@H]32)C1 ZINC001131316069 849094816 /nfs/dbraw/zinc/09/48/16/849094816.db2.gz ALVKADALLHDHMN-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC)C[C@H]32)C1 ZINC001131316069 849094818 /nfs/dbraw/zinc/09/48/18/849094818.db2.gz ALVKADALLHDHMN-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001277694505 862001521 /nfs/dbraw/zinc/00/15/21/862001521.db2.gz JZMJSZUGQIIHQO-TZMCWYRMSA-N 2 1 353.385 0.022 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001277694505 862001531 /nfs/dbraw/zinc/00/15/31/862001531.db2.gz JZMJSZUGQIIHQO-TZMCWYRMSA-N 2 1 353.385 0.022 20 0 FCADMP CC[N@H+](CCOCC(F)F)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998076 849773258 /nfs/dbraw/zinc/77/32/58/849773258.db2.gz HFZGZCAJCUEVNR-MGPQQGTHSA-N 2 1 351.438 0.814 20 0 FCADMP CC[N@@H+](CCOCC(F)F)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998076 849773266 /nfs/dbraw/zinc/77/32/66/849773266.db2.gz HFZGZCAJCUEVNR-MGPQQGTHSA-N 2 1 351.438 0.814 20 0 FCADMP CC[NH+](CCOCC(F)F)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998076 849773272 /nfs/dbraw/zinc/77/32/72/849773272.db2.gz HFZGZCAJCUEVNR-MGPQQGTHSA-N 2 1 351.438 0.814 20 0 FCADMP CC[NH+](CCOCC(F)F)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998076 849773279 /nfs/dbraw/zinc/77/32/79/849773279.db2.gz HFZGZCAJCUEVNR-MGPQQGTHSA-N 2 1 351.438 0.814 20 0 FCADMP Cn1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2cc(Br)cnc21 ZINC001157215840 849954962 /nfs/dbraw/zinc/95/49/62/849954962.db2.gz OOCXAIXNSYPIJM-UHFFFAOYSA-N 2 1 368.239 0.805 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC001157323268 849963206 /nfs/dbraw/zinc/96/32/06/849963206.db2.gz NOJCWGJSARTGDY-STQMWFEESA-N 2 1 371.279 0.809 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158890994 850084247 /nfs/dbraw/zinc/08/42/47/850084247.db2.gz SBTXZENUKCRYHP-AWEZNQCLSA-N 2 1 354.495 0.332 20 0 FCADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC3)cs1 ZINC001158976595 850089203 /nfs/dbraw/zinc/08/92/03/850089203.db2.gz KOUGKKOHVHRUNS-CVEARBPZSA-N 2 1 364.515 0.989 20 0 FCADMP CC(C)(C)N(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159161108 850098693 /nfs/dbraw/zinc/09/86/93/850098693.db2.gz XMNLWGMZXQWVTH-INIZCTEOSA-N 3 1 352.523 0.866 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccsc3)CC[C@@H]2C1 ZINC001159634259 850125708 /nfs/dbraw/zinc/12/57/08/850125708.db2.gz AAZDPJRTKNDYNC-IXDOHACOSA-N 2 1 367.515 0.814 20 0 FCADMP [NH3+]CCCNCC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857083 850141389 /nfs/dbraw/zinc/14/13/89/850141389.db2.gz VXWDTYFIJPUAFZ-RDJZCZTQSA-N 2 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857083 850141394 /nfs/dbraw/zinc/14/13/94/850141394.db2.gz VXWDTYFIJPUAFZ-RDJZCZTQSA-N 3 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857083 850141398 /nfs/dbraw/zinc/14/13/98/850141398.db2.gz VXWDTYFIJPUAFZ-RDJZCZTQSA-N 3 1 350.438 0.428 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175350 850156189 /nfs/dbraw/zinc/15/61/89/850156189.db2.gz NGYBUXONMNFOQM-NVXWUHKLSA-N 2 1 350.507 0.943 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175350 850156191 /nfs/dbraw/zinc/15/61/91/850156191.db2.gz NGYBUXONMNFOQM-NVXWUHKLSA-N 2 1 350.507 0.943 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175350 850156196 /nfs/dbraw/zinc/15/61/96/850156196.db2.gz NGYBUXONMNFOQM-NVXWUHKLSA-N 2 1 350.507 0.943 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC[C@H](C)C2)O1 ZINC001160862611 850209637 /nfs/dbraw/zinc/20/96/37/850209637.db2.gz RYYMYVCNMUVSCW-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC[C@H](C)C2)O1 ZINC001160862611 850209644 /nfs/dbraw/zinc/20/96/44/850209644.db2.gz RYYMYVCNMUVSCW-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001160862323 850210128 /nfs/dbraw/zinc/21/01/28/850210128.db2.gz NBBWVBKXZYEJHS-JHJVBQTASA-N 2 1 369.491 0.285 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001160862323 850210140 /nfs/dbraw/zinc/21/01/40/850210140.db2.gz NBBWVBKXZYEJHS-JHJVBQTASA-N 2 1 369.491 0.285 20 0 FCADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051353 850225203 /nfs/dbraw/zinc/22/52/03/850225203.db2.gz UEUPISMVRPPINE-CABCVRRESA-N 2 1 357.520 0.342 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001161174927 850238044 /nfs/dbraw/zinc/23/80/44/850238044.db2.gz HAXHLQYGBOXMLE-OWCLPIDISA-N 2 1 369.531 0.201 20 0 FCADMP C[N@@H+]1CCO[C@@H](CNc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001162693730 850326716 /nfs/dbraw/zinc/32/67/16/850326716.db2.gz JILRFYSTEOALDQ-INIZCTEOSA-N 2 1 368.503 0.459 20 0 FCADMP C[N@H+]1CCO[C@@H](CNc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001162693730 850326719 /nfs/dbraw/zinc/32/67/19/850326719.db2.gz JILRFYSTEOALDQ-INIZCTEOSA-N 2 1 368.503 0.459 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833749 862121349 /nfs/dbraw/zinc/12/13/49/862121349.db2.gz GTHXAEBGPVRCPY-DYVFJYSZSA-N 2 1 361.433 0.795 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833753 862123412 /nfs/dbraw/zinc/12/34/12/862123412.db2.gz GTHXAEBGPVRCPY-SUMWQHHRSA-N 2 1 361.433 0.795 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001164582312 850417417 /nfs/dbraw/zinc/41/74/17/850417417.db2.gz HGRYJRNKOZSIMW-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001164575654 850417635 /nfs/dbraw/zinc/41/76/35/850417635.db2.gz GBZSSMQQXMABDX-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728759 850453973 /nfs/dbraw/zinc/45/39/73/850453973.db2.gz SZVBNWBYQWGSAP-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728759 850453980 /nfs/dbraw/zinc/45/39/80/850453980.db2.gz SZVBNWBYQWGSAP-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1noc3c1C[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169131131 850606120 /nfs/dbraw/zinc/60/61/20/850606120.db2.gz PWYAVMXZXFZVBV-CLLJXQQHSA-N 2 1 354.476 0.707 20 0 FCADMP Cn1cc(Br)c(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC001169387376 850619879 /nfs/dbraw/zinc/61/98/79/850619879.db2.gz MVDNRXRSJNKARL-UHFFFAOYSA-N 2 1 352.240 0.994 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485710 850685796 /nfs/dbraw/zinc/68/57/96/850685796.db2.gz CIVUFFFHOLULEK-RRFJBIMHSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485710 850685798 /nfs/dbraw/zinc/68/57/98/850685798.db2.gz CIVUFFFHOLULEK-RRFJBIMHSA-N 2 1 352.483 0.299 20 0 FCADMP COCCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498348 850686756 /nfs/dbraw/zinc/68/67/56/850686756.db2.gz ABBAXVLADCZNKM-BRWVUGGUSA-N 2 1 359.511 0.633 20 0 FCADMP COCCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498348 850686763 /nfs/dbraw/zinc/68/67/63/850686763.db2.gz ABBAXVLADCZNKM-BRWVUGGUSA-N 2 1 359.511 0.633 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171488262 850686968 /nfs/dbraw/zinc/68/69/68/850686968.db2.gz ZZTRJYOYGULTNK-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171488262 850686974 /nfs/dbraw/zinc/68/69/74/850686974.db2.gz ZZTRJYOYGULTNK-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501012 850687230 /nfs/dbraw/zinc/68/72/30/850687230.db2.gz PJYKIJCHRAMQED-IIAWOOMASA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501012 850687235 /nfs/dbraw/zinc/68/72/35/850687235.db2.gz PJYKIJCHRAMQED-IIAWOOMASA-N 2 1 354.495 0.249 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C3C[C@@H]4COC[C@H](C3)N4C)CC[C@@H]2C1 ZINC001172137403 850705746 /nfs/dbraw/zinc/70/57/46/850705746.db2.gz RNINHCBCMIQTNS-DWBSNAHUSA-N 2 1 353.507 0.517 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C3C[C@@H]4COC[C@H](C3)N4C)CC[C@@H]2C1 ZINC001172137403 850705748 /nfs/dbraw/zinc/70/57/48/850705748.db2.gz RNINHCBCMIQTNS-DWBSNAHUSA-N 2 1 353.507 0.517 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C3C[C@@H]4COC[C@H](C3)N4C)CC[C@@H]2C1 ZINC001172137403 850705756 /nfs/dbraw/zinc/70/57/56/850705756.db2.gz RNINHCBCMIQTNS-DWBSNAHUSA-N 2 1 353.507 0.517 20 0 FCADMP COCCC[NH+]1CCC(N2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC001172255218 850710502 /nfs/dbraw/zinc/71/05/02/850710502.db2.gz KCEULWRYCLQHGN-UHFFFAOYSA-N 2 1 354.539 0.437 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172897227 850715890 /nfs/dbraw/zinc/71/58/90/850715890.db2.gz OLFMCNGWDSFXRX-UHFFFAOYSA-N 2 1 354.539 0.972 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1COc2cccc(OC)c2C1 ZINC001173147358 850719245 /nfs/dbraw/zinc/71/92/45/850719245.db2.gz GEKHWWDTUADEKX-AAEUAGOBSA-N 2 1 350.419 0.393 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173570879 850728090 /nfs/dbraw/zinc/72/80/90/850728090.db2.gz RMTONFGJHMYOSY-BITGBVICSA-N 2 1 354.447 0.698 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178736112 850922287 /nfs/dbraw/zinc/92/22/87/850922287.db2.gz OPJQBISAGMKQBH-QSPRXWTASA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178735924 850922540 /nfs/dbraw/zinc/92/25/40/850922540.db2.gz KQBHFWLDZIIIOP-QSPRXWTASA-N 2 1 350.507 0.917 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC001182012267 851146022 /nfs/dbraw/zinc/14/60/22/851146022.db2.gz IKINGDSCVMQYJJ-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001186363524 851428258 /nfs/dbraw/zinc/42/82/58/851428258.db2.gz ANWQISUBPCOINK-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP COCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](COCCOC)C[C@@H]12 ZINC001278208502 862256152 /nfs/dbraw/zinc/25/61/52/862256152.db2.gz XILGXHJQKACBLW-HOTGVXAUSA-N 2 1 355.479 0.156 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@H](C1)O2 ZINC001278232235 862265893 /nfs/dbraw/zinc/26/58/93/862265893.db2.gz RGNOCPZUTZILAA-HDICACEKSA-N 2 1 353.507 0.866 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026914 851743944 /nfs/dbraw/zinc/74/39/44/851743944.db2.gz VCSHKOHMGCSCBU-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026914 851743951 /nfs/dbraw/zinc/74/39/51/851743951.db2.gz VCSHKOHMGCSCBU-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189668828 851812554 /nfs/dbraw/zinc/81/25/54/851812554.db2.gz POPMBJKLKPCKLZ-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189668828 851812556 /nfs/dbraw/zinc/81/25/56/851812556.db2.gz POPMBJKLKPCKLZ-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189668828 851812558 /nfs/dbraw/zinc/81/25/58/851812558.db2.gz POPMBJKLKPCKLZ-LSDHHAIUSA-N 2 1 350.463 0.010 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]21 ZINC001189820225 851828356 /nfs/dbraw/zinc/82/83/56/851828356.db2.gz WZUBWFSEUGPEST-UONOGXRCSA-N 2 1 367.412 0.676 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001189891117 851838204 /nfs/dbraw/zinc/83/82/04/851838204.db2.gz OVSVZNPHQUWYBP-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001189891117 851838210 /nfs/dbraw/zinc/83/82/10/851838210.db2.gz OVSVZNPHQUWYBP-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001189891117 851838214 /nfs/dbraw/zinc/83/82/14/851838214.db2.gz OVSVZNPHQUWYBP-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001190176077 851871087 /nfs/dbraw/zinc/87/10/87/851871087.db2.gz BBNVCNUTFJZGCV-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001190176077 851871096 /nfs/dbraw/zinc/87/10/96/851871096.db2.gz BBNVCNUTFJZGCV-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190317166 851891580 /nfs/dbraw/zinc/89/15/80/851891580.db2.gz DBQKPZAXAMMQEE-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190317166 851891587 /nfs/dbraw/zinc/89/15/87/851891587.db2.gz DBQKPZAXAMMQEE-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193728687 852478434 /nfs/dbraw/zinc/47/84/34/852478434.db2.gz RBRSMRULEDBOJV-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193728687 852478436 /nfs/dbraw/zinc/47/84/36/852478436.db2.gz RBRSMRULEDBOJV-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193728687 852478439 /nfs/dbraw/zinc/47/84/39/852478439.db2.gz RBRSMRULEDBOJV-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001193754835 852481640 /nfs/dbraw/zinc/48/16/40/852481640.db2.gz CABXGJGZCIRUBR-OWCLPIDISA-N 2 1 350.463 0.739 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193754835 852481648 /nfs/dbraw/zinc/48/16/48/852481648.db2.gz CABXGJGZCIRUBR-OWCLPIDISA-N 2 1 350.463 0.739 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822206 852494011 /nfs/dbraw/zinc/49/40/11/852494011.db2.gz ZTZSDKMPGRBSHC-FGTMMUONSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822206 852494018 /nfs/dbraw/zinc/49/40/18/852494018.db2.gz ZTZSDKMPGRBSHC-FGTMMUONSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)C1CCC1 ZINC001193822206 852494028 /nfs/dbraw/zinc/49/40/28/852494028.db2.gz ZTZSDKMPGRBSHC-FGTMMUONSA-N 2 1 353.507 0.573 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O ZINC001194103167 852536925 /nfs/dbraw/zinc/53/69/25/852536925.db2.gz WDLNZCILZRAFQP-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CN1CCN(c2ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(F)c2)CC1 ZINC001194542437 852612752 /nfs/dbraw/zinc/61/27/52/852612752.db2.gz PTLXLMNJTDVUFE-UHFFFAOYSA-N 2 1 350.442 0.652 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)CCCC1 ZINC001195005673 852690888 /nfs/dbraw/zinc/69/08/88/852690888.db2.gz AHUFKNOGIUVNOQ-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195640167 852802569 /nfs/dbraw/zinc/80/25/69/852802569.db2.gz BDOUOGZUUWSEEV-HZPDHXFCSA-N 2 1 353.463 0.933 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195640167 852802572 /nfs/dbraw/zinc/80/25/72/852802572.db2.gz BDOUOGZUUWSEEV-HZPDHXFCSA-N 2 1 353.463 0.933 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001195871680 852837374 /nfs/dbraw/zinc/83/73/74/852837374.db2.gz SIORFWMDGVPHGL-HZPDHXFCSA-N 2 1 355.866 0.832 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001195871680 852837381 /nfs/dbraw/zinc/83/73/81/852837381.db2.gz SIORFWMDGVPHGL-HZPDHXFCSA-N 2 1 355.866 0.832 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001196090430 852888390 /nfs/dbraw/zinc/88/83/90/852888390.db2.gz HYPLZWBFSRFUOY-FVQBIDKESA-N 2 1 350.463 0.806 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637397 852990660 /nfs/dbraw/zinc/99/06/60/852990660.db2.gz LOEUVKJAKDVRSH-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637397 852990671 /nfs/dbraw/zinc/99/06/71/852990671.db2.gz LOEUVKJAKDVRSH-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC001196637351 852990874 /nfs/dbraw/zinc/99/08/74/852990874.db2.gz KNAUBAGCRFJYOG-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196645836 852992161 /nfs/dbraw/zinc/99/21/61/852992161.db2.gz TXIQIMVQBJDVAD-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196645836 852992162 /nfs/dbraw/zinc/99/21/62/852992162.db2.gz TXIQIMVQBJDVAD-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001197048494 853053374 /nfs/dbraw/zinc/05/33/74/853053374.db2.gz CDPOAEYNGMZZJY-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001197048494 853053380 /nfs/dbraw/zinc/05/33/80/853053380.db2.gz CDPOAEYNGMZZJY-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001197492945 853123165 /nfs/dbraw/zinc/12/31/65/853123165.db2.gz BLKFBRPBFRSEDN-HZPDHXFCSA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001197492945 853123171 /nfs/dbraw/zinc/12/31/71/853123171.db2.gz BLKFBRPBFRSEDN-HZPDHXFCSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001197492945 853123177 /nfs/dbraw/zinc/12/31/77/853123177.db2.gz BLKFBRPBFRSEDN-HZPDHXFCSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001197492945 853123184 /nfs/dbraw/zinc/12/31/84/853123184.db2.gz BLKFBRPBFRSEDN-HZPDHXFCSA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001197493565 853123450 /nfs/dbraw/zinc/12/34/50/853123450.db2.gz SFHHNZTVLSGSTM-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001197493565 853123451 /nfs/dbraw/zinc/12/34/51/853123451.db2.gz SFHHNZTVLSGSTM-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001197493565 853123452 /nfs/dbraw/zinc/12/34/52/853123452.db2.gz SFHHNZTVLSGSTM-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001197493565 853123453 /nfs/dbraw/zinc/12/34/53/853123453.db2.gz SFHHNZTVLSGSTM-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001198047365 853210814 /nfs/dbraw/zinc/21/08/14/853210814.db2.gz KXEYGIHIUJBKHO-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001198047365 853210821 /nfs/dbraw/zinc/21/08/21/853210821.db2.gz KXEYGIHIUJBKHO-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001198047365 853210825 /nfs/dbraw/zinc/21/08/25/853210825.db2.gz KXEYGIHIUJBKHO-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001198047365 853210827 /nfs/dbraw/zinc/21/08/27/853210827.db2.gz KXEYGIHIUJBKHO-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662788 853299616 /nfs/dbraw/zinc/29/96/16/853299616.db2.gz VIBLFEKNSSYBMQ-YNEHKIRRSA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662788 853299626 /nfs/dbraw/zinc/29/96/26/853299626.db2.gz VIBLFEKNSSYBMQ-YNEHKIRRSA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001198662788 853299635 /nfs/dbraw/zinc/29/96/35/853299635.db2.gz VIBLFEKNSSYBMQ-YNEHKIRRSA-N 2 1 353.385 0.068 20 0 FCADMP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699369 853303301 /nfs/dbraw/zinc/30/33/01/853303301.db2.gz ORUQNNHSXZHVMC-FZGCCYDFSA-N 2 1 353.507 0.862 20 0 FCADMP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699370 853303521 /nfs/dbraw/zinc/30/35/21/853303521.db2.gz ORUQNNHSXZHVMC-YSEKLJNJSA-N 2 1 353.507 0.862 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O ZINC001198699372 853304101 /nfs/dbraw/zinc/30/41/01/853304101.db2.gz OSTPFQHVVBNVJE-KBAYOESNSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001199018494 853356550 /nfs/dbraw/zinc/35/65/50/853356550.db2.gz ZTDTZSGXTYCXOY-KZNAEPCWSA-N 2 1 353.507 0.983 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001199096314 853368886 /nfs/dbraw/zinc/36/88/86/853368886.db2.gz PRNGOHFEAVFXGE-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001199096314 853368896 /nfs/dbraw/zinc/36/88/96/853368896.db2.gz PRNGOHFEAVFXGE-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001199096314 853368903 /nfs/dbraw/zinc/36/89/03/853368903.db2.gz PRNGOHFEAVFXGE-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001199096314 853368914 /nfs/dbraw/zinc/36/89/14/853368914.db2.gz PRNGOHFEAVFXGE-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129131 853376138 /nfs/dbraw/zinc/37/61/38/853376138.db2.gz YMAXNAKFLZFAHV-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129131 853376142 /nfs/dbraw/zinc/37/61/42/853376142.db2.gz YMAXNAKFLZFAHV-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001199370591 853414333 /nfs/dbraw/zinc/41/43/33/853414333.db2.gz ZPXMHNKZOQYING-RCCFBDPRSA-N 2 1 353.507 0.840 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001200554342 853502015 /nfs/dbraw/zinc/50/20/15/853502015.db2.gz IXJAEANQAKOYKD-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205458411 853610242 /nfs/dbraw/zinc/61/02/42/853610242.db2.gz JXRCFNROHNITJA-JKSUJKDBSA-N 2 1 350.438 0.535 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCOCC(F)F)CC2)O1 ZINC001205519006 853620042 /nfs/dbraw/zinc/62/00/42/853620042.db2.gz RNRQHFWTVSGREM-UKRRQHHQSA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCOCC(F)F)CC2)O1 ZINC001205519006 853620046 /nfs/dbraw/zinc/62/00/46/853620046.db2.gz RNRQHFWTVSGREM-UKRRQHHQSA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993031 853777857 /nfs/dbraw/zinc/77/78/57/853777857.db2.gz PARKINFVQLEWRT-KLHDSHLOSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993031 853777861 /nfs/dbraw/zinc/77/78/61/853777861.db2.gz PARKINFVQLEWRT-KLHDSHLOSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993031 853777865 /nfs/dbraw/zinc/77/78/65/853777865.db2.gz PARKINFVQLEWRT-KLHDSHLOSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993031 853777870 /nfs/dbraw/zinc/77/78/70/853777870.db2.gz PARKINFVQLEWRT-KLHDSHLOSA-N 2 1 371.547 0.588 20 0 FCADMP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001207280103 853796374 /nfs/dbraw/zinc/79/63/74/853796374.db2.gz ODUWGVMWNASSNQ-UHFFFAOYSA-N 2 1 361.552 0.948 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537982 853820673 /nfs/dbraw/zinc/82/06/73/853820673.db2.gz JVELIACEEJBKDK-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537982 853820685 /nfs/dbraw/zinc/82/06/85/853820685.db2.gz JVELIACEEJBKDK-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537982 853820693 /nfs/dbraw/zinc/82/06/93/853820693.db2.gz JVELIACEEJBKDK-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537982 853820705 /nfs/dbraw/zinc/82/07/05/853820705.db2.gz JVELIACEEJBKDK-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547233 853823532 /nfs/dbraw/zinc/82/35/32/853823532.db2.gz QBCIXINOZKZCAE-BRWVUGGUSA-N 2 1 351.495 0.676 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547233 853823537 /nfs/dbraw/zinc/82/35/37/853823537.db2.gz QBCIXINOZKZCAE-BRWVUGGUSA-N 2 1 351.495 0.676 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563450 853825762 /nfs/dbraw/zinc/82/57/62/853825762.db2.gz VGVQUGQNAULMQX-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563450 853825766 /nfs/dbraw/zinc/82/57/66/853825766.db2.gz VGVQUGQNAULMQX-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563450 853825770 /nfs/dbraw/zinc/82/57/70/853825770.db2.gz VGVQUGQNAULMQX-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568032 853827362 /nfs/dbraw/zinc/82/73/62/853827362.db2.gz LLGVRRRMDGAVHY-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568032 853827367 /nfs/dbraw/zinc/82/73/67/853827367.db2.gz LLGVRRRMDGAVHY-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568032 853827369 /nfs/dbraw/zinc/82/73/69/853827369.db2.gz LLGVRRRMDGAVHY-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568032 853827375 /nfs/dbraw/zinc/82/73/75/853827375.db2.gz LLGVRRRMDGAVHY-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207616875 853830437 /nfs/dbraw/zinc/83/04/37/853830437.db2.gz HWDHKSWPVYWGGT-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207616875 853830441 /nfs/dbraw/zinc/83/04/41/853830441.db2.gz HWDHKSWPVYWGGT-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207616875 853830444 /nfs/dbraw/zinc/83/04/44/853830444.db2.gz HWDHKSWPVYWGGT-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207616875 853830448 /nfs/dbraw/zinc/83/04/48/853830448.db2.gz HWDHKSWPVYWGGT-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001207649991 853834478 /nfs/dbraw/zinc/83/44/78/853834478.db2.gz RHJXMQQGFMQTLF-XYPHTWIQSA-N 2 1 350.511 0.918 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CC3(C)CCOCC3)CC[C@@H]2C1 ZINC001207967895 853877343 /nfs/dbraw/zinc/87/73/43/853877343.db2.gz HOKSTFXCTIEJBU-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CC3(C)CCOCC3)CC[C@@H]2C1 ZINC001207967895 853877347 /nfs/dbraw/zinc/87/73/47/853877347.db2.gz HOKSTFXCTIEJBU-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CC3(C)CCOCC3)CC[C@@H]2C1 ZINC001207967895 853877351 /nfs/dbraw/zinc/87/73/51/853877351.db2.gz HOKSTFXCTIEJBU-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036470 853884751 /nfs/dbraw/zinc/88/47/51/853884751.db2.gz MCNWQJCBUPMJRT-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP COCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036470 853884754 /nfs/dbraw/zinc/88/47/54/853884754.db2.gz MCNWQJCBUPMJRT-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP COCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036470 853884758 /nfs/dbraw/zinc/88/47/58/853884758.db2.gz MCNWQJCBUPMJRT-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070073 853890472 /nfs/dbraw/zinc/89/04/72/853890472.db2.gz CKTWEFFOAAQJTK-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001208070196 853890885 /nfs/dbraw/zinc/89/08/85/853890885.db2.gz GEZBJCGHAGCZLN-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001208073161 853891678 /nfs/dbraw/zinc/89/16/78/853891678.db2.gz DJNSUHCGTINRRP-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405318 853927836 /nfs/dbraw/zinc/92/78/36/853927836.db2.gz RQVHHOGXXRSYQB-ZACQAIPSSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405318 853927841 /nfs/dbraw/zinc/92/78/41/853927841.db2.gz RQVHHOGXXRSYQB-ZACQAIPSSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405318 853927846 /nfs/dbraw/zinc/92/78/46/853927846.db2.gz RQVHHOGXXRSYQB-ZACQAIPSSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405318 853927851 /nfs/dbraw/zinc/92/78/51/853927851.db2.gz RQVHHOGXXRSYQB-ZACQAIPSSA-N 2 1 357.495 0.195 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432085 853933514 /nfs/dbraw/zinc/93/35/14/853933514.db2.gz KXVOMXBMLWSARF-HUUCEWRRSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432085 853933517 /nfs/dbraw/zinc/93/35/17/853933517.db2.gz KXVOMXBMLWSARF-HUUCEWRRSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001208486003 853940494 /nfs/dbraw/zinc/94/04/94/853940494.db2.gz ZLNGOXGLBZNMER-CKEIUWERSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001208486003 853940504 /nfs/dbraw/zinc/94/05/04/853940504.db2.gz ZLNGOXGLBZNMER-CKEIUWERSA-N 2 1 350.507 0.679 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1)C1CC1 ZINC001208591012 853957449 /nfs/dbraw/zinc/95/74/49/853957449.db2.gz MWIRNAREJLPHAD-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1)C1CC1 ZINC001208591012 853957454 /nfs/dbraw/zinc/95/74/54/853957454.db2.gz MWIRNAREJLPHAD-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)C1CC1 ZINC001208591012 853957465 /nfs/dbraw/zinc/95/74/65/853957465.db2.gz MWIRNAREJLPHAD-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)C1CC1 ZINC001208591012 853957473 /nfs/dbraw/zinc/95/74/73/853957473.db2.gz MWIRNAREJLPHAD-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1c[nH+]ccc1N1CC[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CC1 ZINC001209281058 854013397 /nfs/dbraw/zinc/01/33/97/854013397.db2.gz OSQQEZUVIVYXNV-IXDOHACOSA-N 2 1 351.447 0.385 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](CCCC1OCCO1)CC2 ZINC001209303141 854017179 /nfs/dbraw/zinc/01/71/79/854017179.db2.gz MQQAXEHREQXFNT-UHFFFAOYSA-N 2 1 352.435 0.477 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](CCCC1OCCO1)CC2 ZINC001209303141 854017182 /nfs/dbraw/zinc/01/71/82/854017182.db2.gz MQQAXEHREQXFNT-UHFFFAOYSA-N 2 1 352.435 0.477 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514169 854034440 /nfs/dbraw/zinc/03/44/40/854034440.db2.gz IGTAFXZVISLHIG-GDBMZVCRSA-N 2 1 352.504 0.844 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514169 854034444 /nfs/dbraw/zinc/03/44/44/854034444.db2.gz IGTAFXZVISLHIG-GDBMZVCRSA-N 2 1 352.504 0.844 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836579 854056285 /nfs/dbraw/zinc/05/62/85/854056285.db2.gz NDYRIBYVEQVRSB-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836579 854056291 /nfs/dbraw/zinc/05/62/91/854056291.db2.gz NDYRIBYVEQVRSB-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033666 854072328 /nfs/dbraw/zinc/07/23/28/854072328.db2.gz UWXWCCMFYOLERV-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033666 854072334 /nfs/dbraw/zinc/07/23/34/854072334.db2.gz UWXWCCMFYOLERV-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033666 854072339 /nfs/dbraw/zinc/07/23/39/854072339.db2.gz UWXWCCMFYOLERV-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033666 854072343 /nfs/dbraw/zinc/07/23/43/854072343.db2.gz UWXWCCMFYOLERV-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033667 854073272 /nfs/dbraw/zinc/07/32/72/854073272.db2.gz UWXWCCMFYOLERV-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033667 854073279 /nfs/dbraw/zinc/07/32/79/854073279.db2.gz UWXWCCMFYOLERV-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033667 854073284 /nfs/dbraw/zinc/07/32/84/854073284.db2.gz UWXWCCMFYOLERV-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210033667 854073289 /nfs/dbraw/zinc/07/32/89/854073289.db2.gz UWXWCCMFYOLERV-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210297160 854097470 /nfs/dbraw/zinc/09/74/70/854097470.db2.gz CHYOSLAONYEQHB-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210297160 854097476 /nfs/dbraw/zinc/09/74/76/854097476.db2.gz CHYOSLAONYEQHB-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210297160 854097478 /nfs/dbraw/zinc/09/74/78/854097478.db2.gz CHYOSLAONYEQHB-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210297160 854097485 /nfs/dbraw/zinc/09/74/85/854097485.db2.gz CHYOSLAONYEQHB-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330184 854101843 /nfs/dbraw/zinc/10/18/43/854101843.db2.gz QRZHBOHUILYSGL-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330184 854101846 /nfs/dbraw/zinc/10/18/46/854101846.db2.gz QRZHBOHUILYSGL-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486603 854114221 /nfs/dbraw/zinc/11/42/21/854114221.db2.gz ZLRKKUGREDKMAI-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486603 854114224 /nfs/dbraw/zinc/11/42/24/854114224.db2.gz ZLRKKUGREDKMAI-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486603 854114230 /nfs/dbraw/zinc/11/42/30/854114230.db2.gz ZLRKKUGREDKMAI-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486603 854114235 /nfs/dbraw/zinc/11/42/35/854114235.db2.gz ZLRKKUGREDKMAI-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499408 854114383 /nfs/dbraw/zinc/11/43/83/854114383.db2.gz YPIULODMFHDCQH-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499408 854114386 /nfs/dbraw/zinc/11/43/86/854114386.db2.gz YPIULODMFHDCQH-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499408 854114389 /nfs/dbraw/zinc/11/43/89/854114389.db2.gz YPIULODMFHDCQH-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499408 854114392 /nfs/dbraw/zinc/11/43/92/854114392.db2.gz YPIULODMFHDCQH-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326891 854177024 /nfs/dbraw/zinc/17/70/24/854177024.db2.gz WSXZDVACKQIFTF-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001211369644 854182760 /nfs/dbraw/zinc/18/27/60/854182760.db2.gz MXXZOGIHFMCDKH-GDBMZVCRSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001211369644 854182762 /nfs/dbraw/zinc/18/27/62/854182762.db2.gz MXXZOGIHFMCDKH-GDBMZVCRSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001211369644 854182765 /nfs/dbraw/zinc/18/27/65/854182765.db2.gz MXXZOGIHFMCDKH-GDBMZVCRSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001211369644 854182767 /nfs/dbraw/zinc/18/27/67/854182767.db2.gz MXXZOGIHFMCDKH-GDBMZVCRSA-N 2 1 359.536 0.588 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293363 854430092 /nfs/dbraw/zinc/43/00/92/854430092.db2.gz IRRZJACHORHFMF-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298109 854431590 /nfs/dbraw/zinc/43/15/90/854431590.db2.gz VCBUDMRJAJFPEQ-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212298109 854431595 /nfs/dbraw/zinc/43/15/95/854431595.db2.gz VCBUDMRJAJFPEQ-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212298109 854431599 /nfs/dbraw/zinc/43/15/99/854431599.db2.gz VCBUDMRJAJFPEQ-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2OC)CC[N@H+]1C ZINC001212299793 854432236 /nfs/dbraw/zinc/43/22/36/854432236.db2.gz PPSDRXHNIAXRPD-BSDSXHPESA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2OC)CC[NH+]1C ZINC001212299793 854432246 /nfs/dbraw/zinc/43/22/46/854432246.db2.gz PPSDRXHNIAXRPD-BSDSXHPESA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2OC)CC[NH+]1C ZINC001212299793 854432250 /nfs/dbraw/zinc/43/22/50/854432250.db2.gz PPSDRXHNIAXRPD-BSDSXHPESA-N 2 1 353.507 0.959 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212483204 854496875 /nfs/dbraw/zinc/49/68/75/854496875.db2.gz FHAPVTRNFMFCGP-MCIONIFRSA-N 2 1 363.449 0.956 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212483204 854496880 /nfs/dbraw/zinc/49/68/80/854496880.db2.gz FHAPVTRNFMFCGP-MCIONIFRSA-N 2 1 363.449 0.956 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212483204 854496882 /nfs/dbraw/zinc/49/68/82/854496882.db2.gz FHAPVTRNFMFCGP-MCIONIFRSA-N 2 1 363.449 0.956 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212483204 854496887 /nfs/dbraw/zinc/49/68/87/854496887.db2.gz FHAPVTRNFMFCGP-MCIONIFRSA-N 2 1 363.449 0.956 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328800 854576287 /nfs/dbraw/zinc/57/62/87/854576287.db2.gz AJRFRAVEOIZCTK-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328800 854576290 /nfs/dbraw/zinc/57/62/90/854576290.db2.gz AJRFRAVEOIZCTK-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328800 854576293 /nfs/dbraw/zinc/57/62/93/854576293.db2.gz AJRFRAVEOIZCTK-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328800 854576296 /nfs/dbraw/zinc/57/62/96/854576296.db2.gz AJRFRAVEOIZCTK-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335336 854579625 /nfs/dbraw/zinc/57/96/25/854579625.db2.gz BATNCJWQHUTCPG-DJIMGWMZSA-N 2 1 350.463 0.606 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335336 854579631 /nfs/dbraw/zinc/57/96/31/854579631.db2.gz BATNCJWQHUTCPG-DJIMGWMZSA-N 2 1 350.463 0.606 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346502 854583573 /nfs/dbraw/zinc/58/35/73/854583573.db2.gz PWYVCUQCMVLDPC-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576133 854672422 /nfs/dbraw/zinc/67/24/22/854672422.db2.gz GUZYFLQTRBYQNX-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576133 854672433 /nfs/dbraw/zinc/67/24/33/854672433.db2.gz GUZYFLQTRBYQNX-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728833 854739040 /nfs/dbraw/zinc/73/90/40/854739040.db2.gz VFNULORMSJDWNJ-IAGOWNOFSA-N 2 1 351.491 0.714 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753360 854751837 /nfs/dbraw/zinc/75/18/37/854751837.db2.gz FLRVFPINODELCL-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753360 854751840 /nfs/dbraw/zinc/75/18/40/854751840.db2.gz FLRVFPINODELCL-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863126 854797258 /nfs/dbraw/zinc/79/72/58/854797258.db2.gz FBAQAMLUSKSYIQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930187 854832238 /nfs/dbraw/zinc/83/22/38/854832238.db2.gz ZXFCJQWXWBYBQY-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930187 854832246 /nfs/dbraw/zinc/83/22/46/854832246.db2.gz ZXFCJQWXWBYBQY-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930187 854832252 /nfs/dbraw/zinc/83/22/52/854832252.db2.gz ZXFCJQWXWBYBQY-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930187 854832259 /nfs/dbraw/zinc/83/22/59/854832259.db2.gz ZXFCJQWXWBYBQY-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930168 854832551 /nfs/dbraw/zinc/83/25/51/854832551.db2.gz ZBEQKCVRTXENPZ-JHJVBQTASA-N 2 1 355.401 0.455 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930168 854832552 /nfs/dbraw/zinc/83/25/52/854832552.db2.gz ZBEQKCVRTXENPZ-JHJVBQTASA-N 2 1 355.401 0.455 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930168 854832554 /nfs/dbraw/zinc/83/25/54/854832554.db2.gz ZBEQKCVRTXENPZ-JHJVBQTASA-N 2 1 355.401 0.455 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930168 854832555 /nfs/dbraw/zinc/83/25/55/854832555.db2.gz ZBEQKCVRTXENPZ-JHJVBQTASA-N 2 1 355.401 0.455 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001214335674 854926947 /nfs/dbraw/zinc/92/69/47/854926947.db2.gz GAMHXOYTPWNVCQ-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855809 855022875 /nfs/dbraw/zinc/02/28/75/855022875.db2.gz OIWYKRHLEIALBT-OAGGEKHMSA-N 2 1 350.463 0.860 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001214855345 855023537 /nfs/dbraw/zinc/02/35/37/855023537.db2.gz CQEKBEBMQBJBJP-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968977 855042027 /nfs/dbraw/zinc/04/20/27/855042027.db2.gz GQGNYYBDQZXKES-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215162315 855075635 /nfs/dbraw/zinc/07/56/35/855075635.db2.gz ODPOHFRHSZZXGG-UKRRQHHQSA-N 2 1 368.503 0.243 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930199 855157762 /nfs/dbraw/zinc/15/77/62/855157762.db2.gz SQLOXTFXKWYCIN-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCO[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC001215939159 855158839 /nfs/dbraw/zinc/15/88/39/855158839.db2.gz WNEGDZVRHOFRSQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216221590 855180386 /nfs/dbraw/zinc/18/03/86/855180386.db2.gz JAKRKZAAHRSZTI-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1 ZINC001216221751 855180985 /nfs/dbraw/zinc/18/09/85/855180985.db2.gz LMGMZEJEJQMGOM-DGCLKSJQSA-N 2 1 368.507 0.563 20 0 FCADMP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401605 855199274 /nfs/dbraw/zinc/19/92/74/855199274.db2.gz NUWROQKGEMCAAN-UKRRQHHQSA-N 2 1 352.483 0.121 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)s1 ZINC001216401317 855199602 /nfs/dbraw/zinc/19/96/02/855199602.db2.gz JTYNTTPYGCHEFM-YRGRVCCFSA-N 2 1 355.508 0.922 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216499775 855208104 /nfs/dbraw/zinc/20/81/04/855208104.db2.gz RVPUHNMZJVOXRR-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216507506 855209492 /nfs/dbraw/zinc/20/94/92/855209492.db2.gz YMZVTBWHRMNCFA-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216506303 855209882 /nfs/dbraw/zinc/20/98/82/855209882.db2.gz GAPVVJNNWMEICP-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216757907 855233935 /nfs/dbraw/zinc/23/39/35/855233935.db2.gz QLXJTQNVJJAYFI-GDBMZVCRSA-N 2 1 370.519 0.841 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217735365 855370740 /nfs/dbraw/zinc/37/07/40/855370740.db2.gz NAQZOWMJWCMCHZ-MJBXVCDLSA-N 2 1 353.467 0.883 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217735365 855370744 /nfs/dbraw/zinc/37/07/44/855370744.db2.gz NAQZOWMJWCMCHZ-MJBXVCDLSA-N 2 1 353.467 0.883 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001217746727 855371494 /nfs/dbraw/zinc/37/14/94/855371494.db2.gz RHVYNDMBQPNPPW-VLXAULBPSA-N 2 1 353.467 0.711 20 0 FCADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21)C1CCC1 ZINC001218108941 855398769 /nfs/dbraw/zinc/39/87/69/855398769.db2.gz JAUOQICIFWZSIF-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21)C1CCC1 ZINC001218108941 855398779 /nfs/dbraw/zinc/39/87/79/855398779.db2.gz JAUOQICIFWZSIF-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21)C1CCC1 ZINC001218108941 855398787 /nfs/dbraw/zinc/39/87/87/855398787.db2.gz JAUOQICIFWZSIF-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21)C1CCC1 ZINC001218108941 855398795 /nfs/dbraw/zinc/39/87/95/855398795.db2.gz JAUOQICIFWZSIF-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000765 855508343 /nfs/dbraw/zinc/50/83/43/855508343.db2.gz AROBEANGJVBOEG-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000765 855508348 /nfs/dbraw/zinc/50/83/48/855508348.db2.gz AROBEANGJVBOEG-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033408 855519023 /nfs/dbraw/zinc/51/90/23/855519023.db2.gz JZPUZSBGFPPWLD-DLBZAZTESA-N 2 1 350.463 0.920 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033408 855519032 /nfs/dbraw/zinc/51/90/32/855519032.db2.gz JZPUZSBGFPPWLD-DLBZAZTESA-N 2 1 350.463 0.920 20 0 FCADMP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001219170054 855572082 /nfs/dbraw/zinc/57/20/82/855572082.db2.gz OUXYPUIOISBVRW-UHFFFAOYSA-N 2 1 350.419 0.187 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792690 855815158 /nfs/dbraw/zinc/81/51/58/855815158.db2.gz ULTZNYKGRHAPGX-KURKYZTESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792690 855815159 /nfs/dbraw/zinc/81/51/59/855815159.db2.gz ULTZNYKGRHAPGX-KURKYZTESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792690 855815161 /nfs/dbraw/zinc/81/51/61/855815161.db2.gz ULTZNYKGRHAPGX-KURKYZTESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792690 855815162 /nfs/dbraw/zinc/81/51/62/855815162.db2.gz ULTZNYKGRHAPGX-KURKYZTESA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798343 855818439 /nfs/dbraw/zinc/81/84/39/855818439.db2.gz JKNBLJXVIJGGHN-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798343 855818444 /nfs/dbraw/zinc/81/84/44/855818444.db2.gz JKNBLJXVIJGGHN-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798343 855818448 /nfs/dbraw/zinc/81/84/48/855818448.db2.gz JKNBLJXVIJGGHN-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798343 855818452 /nfs/dbraw/zinc/81/84/52/855818452.db2.gz JKNBLJXVIJGGHN-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814251 855829348 /nfs/dbraw/zinc/82/93/48/855829348.db2.gz ZTZSDKMPGRBSHC-SQNIBIBYSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814251 855829350 /nfs/dbraw/zinc/82/93/50/855829350.db2.gz ZTZSDKMPGRBSHC-SQNIBIBYSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814251 855829356 /nfs/dbraw/zinc/82/93/56/855829356.db2.gz ZTZSDKMPGRBSHC-SQNIBIBYSA-N 2 1 353.507 0.573 20 0 FCADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877491 855857849 /nfs/dbraw/zinc/85/78/49/855857849.db2.gz IGLLVACBAGADTP-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)(OC(=O)[C@@H]([NH3+])CCC(=O)NCC[NH2+]CCO)c1ccccc1 ZINC001219918566 855878351 /nfs/dbraw/zinc/87/83/51/855878351.db2.gz NHURRFGSMBNIGZ-HNNXBMFYSA-N 2 1 351.447 0.271 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919947 855878737 /nfs/dbraw/zinc/87/87/37/855878737.db2.gz UWSXFCYFUOZAQE-SJORKVTESA-N 2 1 350.463 0.494 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057841 855937976 /nfs/dbraw/zinc/93/79/76/855937976.db2.gz IRUNZOIVIVFGDV-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057841 855937972 /nfs/dbraw/zinc/93/79/72/855937972.db2.gz IRUNZOIVIVFGDV-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073969 855947018 /nfs/dbraw/zinc/94/70/18/855947018.db2.gz RPUJUTBVNFDUOO-JQHSSLGASA-N 2 1 355.523 0.963 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073969 855947021 /nfs/dbraw/zinc/94/70/21/855947021.db2.gz RPUJUTBVNFDUOO-JQHSSLGASA-N 2 1 355.523 0.963 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073969 855947023 /nfs/dbraw/zinc/94/70/23/855947023.db2.gz RPUJUTBVNFDUOO-JQHSSLGASA-N 2 1 355.523 0.963 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)CCCC1 ZINC001220078166 855948609 /nfs/dbraw/zinc/94/86/09/855948609.db2.gz JBJJLWVMEQKWNL-KGLIPLIRSA-N 2 1 363.449 0.694 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)CCCC1 ZINC001220078166 855948611 /nfs/dbraw/zinc/94/86/11/855948611.db2.gz JBJJLWVMEQKWNL-KGLIPLIRSA-N 2 1 363.449 0.694 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078197 855948970 /nfs/dbraw/zinc/94/89/70/855948970.db2.gz KCFMEXPAQUGHSN-CVEARBPZSA-N 2 1 357.495 0.075 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216468 856015117 /nfs/dbraw/zinc/01/51/17/856015117.db2.gz LESNPAQDVQNRQK-IKGGRYGDSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216468 856015122 /nfs/dbraw/zinc/01/51/22/856015122.db2.gz LESNPAQDVQNRQK-IKGGRYGDSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216468 856015130 /nfs/dbraw/zinc/01/51/30/856015130.db2.gz LESNPAQDVQNRQK-IKGGRYGDSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216468 856015139 /nfs/dbraw/zinc/01/51/39/856015139.db2.gz LESNPAQDVQNRQK-IKGGRYGDSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220273433 856038971 /nfs/dbraw/zinc/03/89/71/856038971.db2.gz KRFPIYAGTBYAFB-XHSDSOJGSA-N 2 1 356.511 0.133 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220273433 856038982 /nfs/dbraw/zinc/03/89/82/856038982.db2.gz KRFPIYAGTBYAFB-XHSDSOJGSA-N 2 1 356.511 0.133 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359271 856081723 /nfs/dbraw/zinc/08/17/23/856081723.db2.gz HLUAKCBPDDQPDU-RVKKMQEKSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359271 856081733 /nfs/dbraw/zinc/08/17/33/856081733.db2.gz HLUAKCBPDDQPDU-RVKKMQEKSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359271 856081740 /nfs/dbraw/zinc/08/17/40/856081740.db2.gz HLUAKCBPDDQPDU-RVKKMQEKSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359271 856081750 /nfs/dbraw/zinc/08/17/50/856081750.db2.gz HLUAKCBPDDQPDU-RVKKMQEKSA-N 2 1 359.486 0.785 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369893 856089869 /nfs/dbraw/zinc/08/98/69/856089869.db2.gz WSBQBFDWGZWNFC-BBWFWOEESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369893 856089875 /nfs/dbraw/zinc/08/98/75/856089875.db2.gz WSBQBFDWGZWNFC-BBWFWOEESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369893 856089879 /nfs/dbraw/zinc/08/98/79/856089879.db2.gz WSBQBFDWGZWNFC-BBWFWOEESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220482407 856148668 /nfs/dbraw/zinc/14/86/68/856148668.db2.gz QLWHUJDXNMKIML-XHSDSOJGSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220482407 856148673 /nfs/dbraw/zinc/14/86/73/856148673.db2.gz QLWHUJDXNMKIML-XHSDSOJGSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001220668012 856232235 /nfs/dbraw/zinc/23/22/35/856232235.db2.gz VYTVLAKSYJPEST-CABCVRRESA-N 2 1 363.449 0.550 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001220668012 856232243 /nfs/dbraw/zinc/23/22/43/856232243.db2.gz VYTVLAKSYJPEST-CABCVRRESA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001220768229 856289179 /nfs/dbraw/zinc/28/91/79/856289179.db2.gz BQMDHCWDUHOTSH-XQQFMLRXSA-N 2 1 368.305 0.310 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001220768229 856289190 /nfs/dbraw/zinc/28/91/90/856289190.db2.gz BQMDHCWDUHOTSH-XQQFMLRXSA-N 2 1 368.305 0.310 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)onc2CC)C[C@@H]1O ZINC001220825731 856325890 /nfs/dbraw/zinc/32/58/90/856325890.db2.gz DJJQJZGGTDFOEO-SJORKVTESA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)onc2CC)C[C@@H]1O ZINC001220825731 856325899 /nfs/dbraw/zinc/32/58/99/856325899.db2.gz DJJQJZGGTDFOEO-SJORKVTESA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2c(C)onc2CC)C[C@@H]1O ZINC001220825731 856325906 /nfs/dbraw/zinc/32/59/06/856325906.db2.gz DJJQJZGGTDFOEO-SJORKVTESA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)onc2CC)C[C@@H]1O ZINC001220825731 856325911 /nfs/dbraw/zinc/32/59/11/856325911.db2.gz DJJQJZGGTDFOEO-SJORKVTESA-N 2 1 352.479 0.939 20 0 FCADMP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1=O)c1ccc(Cl)cc1Cl ZINC001220874340 856352388 /nfs/dbraw/zinc/35/23/88/856352388.db2.gz FZHVIKJZIAPJGL-CYBMUJFWSA-N 2 1 359.257 0.931 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O ZINC001220986891 856408342 /nfs/dbraw/zinc/40/83/42/856408342.db2.gz DIYPWXSEUNROGI-JQHSSLGASA-N 2 1 353.507 0.696 20 0 FCADMP CCC(CC)[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067641 856446189 /nfs/dbraw/zinc/44/61/89/856446189.db2.gz DEWJTGVWMSJOOJ-XWSJDDSLSA-N 2 1 373.519 0.067 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001221073233 856448377 /nfs/dbraw/zinc/44/83/77/856448377.db2.gz LXNFMDUXLLMCFN-QLFBSQMISA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001221073233 856448392 /nfs/dbraw/zinc/44/83/92/856448392.db2.gz LXNFMDUXLLMCFN-QLFBSQMISA-N 2 1 361.433 0.448 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001221081399 856452865 /nfs/dbraw/zinc/45/28/65/856452865.db2.gz JSWDCJTZGWJSMT-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254402 856531371 /nfs/dbraw/zinc/53/13/71/856531371.db2.gz OCTFXDSWNJTIAT-AJNGGQMLSA-N 2 1 358.552 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCOC)C[C@H]32)CC[N@H+]1C ZINC001221560787 856606182 /nfs/dbraw/zinc/60/61/82/856606182.db2.gz HUMULYOSGLAWIX-XMTFNYHQSA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCOC)C[C@H]32)CC[NH+]1C ZINC001221560787 856606185 /nfs/dbraw/zinc/60/61/85/856606185.db2.gz HUMULYOSGLAWIX-XMTFNYHQSA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCOC)C[C@H]32)CC[NH+]1C ZINC001221560787 856606190 /nfs/dbraw/zinc/60/61/90/856606190.db2.gz HUMULYOSGLAWIX-XMTFNYHQSA-N 2 1 353.507 0.912 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221615913 856625430 /nfs/dbraw/zinc/62/54/30/856625430.db2.gz APISWUQAHPMBQJ-JFIYKMOQSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221615913 856625434 /nfs/dbraw/zinc/62/54/34/856625434.db2.gz APISWUQAHPMBQJ-JFIYKMOQSA-N 2 1 350.507 0.728 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714242 856662103 /nfs/dbraw/zinc/66/21/03/856662103.db2.gz UUJVAAFZBZBEKV-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714242 856662106 /nfs/dbraw/zinc/66/21/06/856662106.db2.gz UUJVAAFZBZBEKV-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714214 856662122 /nfs/dbraw/zinc/66/21/22/856662122.db2.gz SMDXDXYQYUHGBZ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714214 856662126 /nfs/dbraw/zinc/66/21/26/856662126.db2.gz SMDXDXYQYUHGBZ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221777221 856678880 /nfs/dbraw/zinc/67/88/80/856678880.db2.gz YPYIXONWISYTEP-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221777221 856678885 /nfs/dbraw/zinc/67/88/85/856678885.db2.gz YPYIXONWISYTEP-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC1 ZINC001221788630 856684598 /nfs/dbraw/zinc/68/45/98/856684598.db2.gz ZLUXEFZDMWHHJP-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC1 ZINC001221788630 856684600 /nfs/dbraw/zinc/68/46/00/856684600.db2.gz ZLUXEFZDMWHHJP-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001221815825 856696629 /nfs/dbraw/zinc/69/66/29/856696629.db2.gz DEXPZPWLHPCFBL-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001221815825 856696635 /nfs/dbraw/zinc/69/66/35/856696635.db2.gz DEXPZPWLHPCFBL-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221842022 856703516 /nfs/dbraw/zinc/70/35/16/856703516.db2.gz SSDSCCWLTDIORK-BZUAXINKSA-N 2 1 350.463 0.547 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221842022 856703534 /nfs/dbraw/zinc/70/35/34/856703534.db2.gz SSDSCCWLTDIORK-BZUAXINKSA-N 2 1 350.463 0.547 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001221968954 856753183 /nfs/dbraw/zinc/75/31/83/856753183.db2.gz JEBVHWIMYFRLSE-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221968954 856753189 /nfs/dbraw/zinc/75/31/89/856753189.db2.gz JEBVHWIMYFRLSE-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221968954 856753192 /nfs/dbraw/zinc/75/31/92/856753192.db2.gz JEBVHWIMYFRLSE-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018332 856770330 /nfs/dbraw/zinc/77/03/30/856770330.db2.gz XPGALRYVLYRKNX-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018332 856770335 /nfs/dbraw/zinc/77/03/35/856770335.db2.gz XPGALRYVLYRKNX-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)[C@H]2C1 ZINC001223430122 856914685 /nfs/dbraw/zinc/91/46/85/856914685.db2.gz HIJMISAZOUZWIS-HOTGVXAUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)[C@H]2C1 ZINC001223430122 856914700 /nfs/dbraw/zinc/91/47/00/856914700.db2.gz HIJMISAZOUZWIS-HOTGVXAUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC001223430846 856917422 /nfs/dbraw/zinc/91/74/22/856917422.db2.gz QOWGGNGMABQVCR-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140987 856962254 /nfs/dbraw/zinc/96/22/54/856962254.db2.gz TXARISOAMBYTHV-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524759 857047770 /nfs/dbraw/zinc/04/77/70/857047770.db2.gz KBSGBEHEHLAAHE-OAGGEKHMSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524759 857047776 /nfs/dbraw/zinc/04/77/76/857047776.db2.gz KBSGBEHEHLAAHE-OAGGEKHMSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226162285 857086247 /nfs/dbraw/zinc/08/62/47/857086247.db2.gz YXTJYKPLBVYYDN-MGPQQGTHSA-N 2 1 353.467 0.071 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001227083540 857140382 /nfs/dbraw/zinc/14/03/82/857140382.db2.gz UGCGUEZFPRJORK-BZUAXINKSA-N 2 1 359.536 0.922 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001227953065 857186683 /nfs/dbraw/zinc/18/66/83/857186683.db2.gz AFEFSLVINGQYTE-MRVWCRGKSA-N 2 1 367.412 0.599 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001227953065 857186689 /nfs/dbraw/zinc/18/66/89/857186689.db2.gz AFEFSLVINGQYTE-MRVWCRGKSA-N 2 1 367.412 0.599 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167244 857194520 /nfs/dbraw/zinc/19/45/20/857194520.db2.gz IXWUOMMLJIGQFG-OAGGEKHMSA-N 2 1 354.495 0.249 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228167244 857194524 /nfs/dbraw/zinc/19/45/24/857194524.db2.gz IXWUOMMLJIGQFG-OAGGEKHMSA-N 2 1 354.495 0.249 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001229692055 857281661 /nfs/dbraw/zinc/28/16/61/857281661.db2.gz DEDPXSATQBJCEJ-GVDBMIGSSA-N 2 1 350.507 0.871 20 0 FCADMP CCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229716358 857283665 /nfs/dbraw/zinc/28/36/65/857283665.db2.gz HLEZQKRPKNBLED-ZIAGYGMSSA-N 2 1 353.467 0.727 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@H]1[C@H](C)CNCC1(F)F)C2 ZINC001235331746 857422427 /nfs/dbraw/zinc/42/24/27/857422427.db2.gz YCLQQFRRRNLAJM-IXYRMGKJSA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331746 857422431 /nfs/dbraw/zinc/42/24/31/857422431.db2.gz YCLQQFRRRNLAJM-IXYRMGKJSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331746 857422439 /nfs/dbraw/zinc/42/24/39/857422439.db2.gz YCLQQFRRRNLAJM-IXYRMGKJSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cnc(SC)nc3N)C[C@H]1C2 ZINC001236028994 857435963 /nfs/dbraw/zinc/43/59/63/857435963.db2.gz YNSMPUXOIZENNY-DAWNXDAASA-N 2 1 363.487 0.611 20 0 FCADMP C[NH+]1CCN(c2ncccc2NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001237478624 857452714 /nfs/dbraw/zinc/45/27/14/857452714.db2.gz LMXBYLWVRVPVBM-UHFFFAOYSA-N 2 1 353.492 0.575 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CCN1 ZINC001246021989 857564335 /nfs/dbraw/zinc/56/43/35/857564335.db2.gz YLXVCUSSGVANKP-YHUYYLMFSA-N 2 1 357.401 0.079 20 0 FCADMP COCCc1ccc(OC[C@H](O)CNCCC[NH2+]CCCC[NH3+])cc1 ZINC001246011506 857564469 /nfs/dbraw/zinc/56/44/69/857564469.db2.gz VKSVFLCODZVAOH-GOSISDBHSA-N 2 1 353.507 0.923 20 0 FCADMP O[C@H](CCOCc1ccccc1)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246057007 857567335 /nfs/dbraw/zinc/56/73/35/857567335.db2.gz REJJYXVEMXKBHN-LJQANCHMSA-N 2 1 350.507 0.039 20 0 FCADMP O=C([C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246133623 857569019 /nfs/dbraw/zinc/56/90/19/857569019.db2.gz KUNYZOWSJSHLRW-ILXRZTDVSA-N 2 1 354.520 0.141 20 0 FCADMP O=S1(=O)CCN(c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC001246436650 857579295 /nfs/dbraw/zinc/57/92/95/857579295.db2.gz YGVHVRYHTYHWMJ-XYPWUTKMSA-N 2 1 350.488 0.689 20 0 FCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246525572 857583254 /nfs/dbraw/zinc/58/32/54/857583254.db2.gz RDDRFFBGOPUXTP-YKUJZXIWSA-N 2 1 370.563 0.997 20 0 FCADMP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620240 857587302 /nfs/dbraw/zinc/58/73/02/857587302.db2.gz XBLAOEBHJLRFQZ-OTJKEOIZSA-N 2 1 353.463 0.143 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620240 857587314 /nfs/dbraw/zinc/58/73/14/857587314.db2.gz XBLAOEBHJLRFQZ-OTJKEOIZSA-N 2 1 353.463 0.143 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620240 857587323 /nfs/dbraw/zinc/58/73/23/857587323.db2.gz XBLAOEBHJLRFQZ-OTJKEOIZSA-N 2 1 353.463 0.143 20 0 FCADMP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246738822 857595408 /nfs/dbraw/zinc/59/54/08/857595408.db2.gz MRAFICZVACMIAX-NUJGCVRESA-N 2 1 350.507 0.191 20 0 FCADMP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736024 857595543 /nfs/dbraw/zinc/59/55/43/857595543.db2.gz LZKMZHQLLGINSQ-VQHPVUNQSA-N 2 1 350.507 0.190 20 0 FCADMP C[C@@H]1C[C@@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751430 857598366 /nfs/dbraw/zinc/59/83/66/857598366.db2.gz PIGFBOIPNIBTBK-SJORKVTESA-N 2 1 352.523 0.630 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855914 857603359 /nfs/dbraw/zinc/60/33/59/857603359.db2.gz QXGAUBZEFMKGDC-LDDOYCOJSA-N 2 1 354.447 0.572 20 0 FCADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCOC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938777 857606584 /nfs/dbraw/zinc/60/65/84/857606584.db2.gz UAACCLTXZGZFLK-SFHVURJKSA-N 3 1 352.523 0.141 20 0 FCADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN([C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1)CC2 ZINC001246992785 857608787 /nfs/dbraw/zinc/60/87/87/857608787.db2.gz ZDZGVCJUULDDRO-NPSOMJIGSA-N 2 1 353.463 0.286 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@H](OCC(=O)NC)CO2)CC1 ZINC001253182842 857869435 /nfs/dbraw/zinc/86/94/35/857869435.db2.gz ULFKNGVZAXJYNC-HOTGVXAUSA-N 2 1 357.495 0.075 20 0 FCADMP CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389375 857884835 /nfs/dbraw/zinc/88/48/35/857884835.db2.gz ZYANUAAKIXWEOP-IIDMSEBBSA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389375 857884840 /nfs/dbraw/zinc/88/48/40/857884840.db2.gz ZYANUAAKIXWEOP-IIDMSEBBSA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517168 857976356 /nfs/dbraw/zinc/97/63/56/857976356.db2.gz FFRMSFIMBTYEII-MJGOQNOKSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517168 857976357 /nfs/dbraw/zinc/97/63/57/857976357.db2.gz FFRMSFIMBTYEII-MJGOQNOKSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517168 857976359 /nfs/dbraw/zinc/97/63/59/857976359.db2.gz FFRMSFIMBTYEII-MJGOQNOKSA-N 2 1 352.523 0.631 20 0 FCADMP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522736 857977009 /nfs/dbraw/zinc/97/70/09/857977009.db2.gz PPCHDHLJLNKVQX-NXOAAHMSSA-N 2 1 359.536 0.889 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC001255191844 858001100 /nfs/dbraw/zinc/00/11/00/858001100.db2.gz OWBTYVJGEBQCLB-PHZGNYQRSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC001255801603 858033764 /nfs/dbraw/zinc/03/37/64/858033764.db2.gz PKQIIXPJGCETRH-JSGCOSHPSA-N 2 1 370.475 0.243 20 0 FCADMP COC(=O)[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCO)CN1C(=O)OC(C)(C)C ZINC001256262062 858062924 /nfs/dbraw/zinc/06/29/24/858062924.db2.gz CQDQWSNACPBOGS-UONOGXRCSA-N 2 1 359.467 0.441 20 0 FCADMP COC(=O)[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCO)CN1C(=O)OC(C)(C)C ZINC001256262062 858062928 /nfs/dbraw/zinc/06/29/28/858062928.db2.gz CQDQWSNACPBOGS-UONOGXRCSA-N 2 1 359.467 0.441 20 0 FCADMP [NH3+]CCN(CC[NH2+]C1CCN(CCc2ccccc2)CC1)N(O)N=O ZINC001258137670 858178414 /nfs/dbraw/zinc/17/84/14/858178414.db2.gz MPIDSXZSGRZWDW-UHFFFAOYSA-N 2 1 350.467 0.831 20 0 FCADMP [NH3+]CCN(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(O)N=O ZINC001258137670 858178415 /nfs/dbraw/zinc/17/84/15/858178415.db2.gz MPIDSXZSGRZWDW-UHFFFAOYSA-N 3 1 350.467 0.831 20 0 FCADMP CCCN1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001258769566 858209940 /nfs/dbraw/zinc/20/99/40/858209940.db2.gz WFMVWVXRVIWPMP-UHFFFAOYSA-N 2 1 361.527 0.476 20 0 FCADMP CCC[NH+]1CCC(NCCOCCOCCOCCOCC[NH3+])CC1 ZINC001258769566 858209944 /nfs/dbraw/zinc/20/99/44/858209944.db2.gz WFMVWVXRVIWPMP-UHFFFAOYSA-N 2 1 361.527 0.476 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2C[N@@H+](CCN2CCOCC2)C3)CC1 ZINC001279772802 863055237 /nfs/dbraw/zinc/05/52/37/863055237.db2.gz SLCQVEVMBFFCBH-VQIMIIECSA-N 2 1 350.507 0.193 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3nc(CC(F)(F)F)no3)nn2)CC1 ZINC001262027291 858761331 /nfs/dbraw/zinc/76/13/31/858761331.db2.gz YSLWGILIVFYPIV-UHFFFAOYSA-N 2 1 359.356 0.780 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[C@]12CC[NH2+]C2 ZINC001262584211 859008378 /nfs/dbraw/zinc/00/83/78/859008378.db2.gz VBNRKCNAQDLOJF-GOSISDBHSA-N 2 1 352.479 0.405 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591077 859012963 /nfs/dbraw/zinc/01/29/63/859012963.db2.gz FJDSPJJKMYEPTK-HZPDHXFCSA-N 2 1 354.495 0.291 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC001262598012 859016221 /nfs/dbraw/zinc/01/62/21/859016221.db2.gz GFZSLAGTIPQLGE-UHFFFAOYSA-N 2 1 351.495 0.454 20 0 FCADMP CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001263896244 859229270 /nfs/dbraw/zinc/22/92/70/859229270.db2.gz SVGVSWYLOQEJNA-CABCVRRESA-N 2 1 365.503 0.401 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001264100810 859312848 /nfs/dbraw/zinc/31/28/48/859312848.db2.gz IJUADJABSMCAOY-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001266285511 859476538 /nfs/dbraw/zinc/47/65/38/859476538.db2.gz BVRNBSHKVWPUMA-KZNAEPCWSA-N 2 1 352.523 0.630 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658689 859988622 /nfs/dbraw/zinc/98/86/22/859988622.db2.gz TZPVTWBFJPVMPD-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273211137 860410538 /nfs/dbraw/zinc/41/05/38/860410538.db2.gz VAYWEUBCYUIXGF-CQSZACIVSA-N 2 1 350.488 0.816 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273211137 860410544 /nfs/dbraw/zinc/41/05/44/860410544.db2.gz VAYWEUBCYUIXGF-CQSZACIVSA-N 2 1 350.488 0.816 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211137 860410548 /nfs/dbraw/zinc/41/05/48/860410548.db2.gz VAYWEUBCYUIXGF-CQSZACIVSA-N 2 1 350.488 0.816 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211137 860410557 /nfs/dbraw/zinc/41/05/57/860410557.db2.gz VAYWEUBCYUIXGF-CQSZACIVSA-N 2 1 350.488 0.816 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273834981 860614156 /nfs/dbraw/zinc/61/41/56/860614156.db2.gz JVBOLWHEHGAZEH-BBWFWOEESA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273834981 860614158 /nfs/dbraw/zinc/61/41/58/860614158.db2.gz JVBOLWHEHGAZEH-BBWFWOEESA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273834981 860614161 /nfs/dbraw/zinc/61/41/61/860614161.db2.gz JVBOLWHEHGAZEH-BBWFWOEESA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2CC1 ZINC001274041343 860665497 /nfs/dbraw/zinc/66/54/97/860665497.db2.gz DCHIXWUIYMZTRD-CALCHBBNSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC2(CC[NH+](CC(=O)N(C)C)C2)CC1 ZINC001274399748 860743095 /nfs/dbraw/zinc/74/30/95/860743095.db2.gz IUNJUUXSVFOPAF-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001274399748 860743099 /nfs/dbraw/zinc/74/30/99/860743099.db2.gz IUNJUUXSVFOPAF-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001274399748 860743104 /nfs/dbraw/zinc/74/31/04/860743104.db2.gz IUNJUUXSVFOPAF-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC001274997162 860895824 /nfs/dbraw/zinc/89/58/24/860895824.db2.gz OXJCLYGSGGBOQR-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275097213 860931374 /nfs/dbraw/zinc/93/13/74/860931374.db2.gz ARWYWRUUUPORMG-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP CCC[N@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275097213 860931384 /nfs/dbraw/zinc/93/13/84/860931384.db2.gz ARWYWRUUUPORMG-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1)[NH+](C)C ZINC001275222742 860991667 /nfs/dbraw/zinc/99/16/67/860991667.db2.gz KEKNBBWXAPKCFS-IEBWSBKVSA-N 2 1 352.523 0.975 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001275343556 861038246 /nfs/dbraw/zinc/03/82/46/861038246.db2.gz PWVZUWDTPNHNKW-LJQANCHMSA-N 2 1 350.507 0.923 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001275511920 861118192 /nfs/dbraw/zinc/11/81/92/861118192.db2.gz OBRGFZQDBNGYRR-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275555573 861126775 /nfs/dbraw/zinc/12/67/75/861126775.db2.gz CRRPCHVBKWGYEG-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC1(C)OC[C@@H](CN2CC3(C[NH+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275737271 861180798 /nfs/dbraw/zinc/18/07/98/861180798.db2.gz JFAQNFZCLISKEP-OAHLLOKOSA-N 2 1 353.463 0.051 20 0 FCADMP O=C1N(CCN2CCOCC2)CC[C@]12CCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737844 861181447 /nfs/dbraw/zinc/18/14/47/861181447.db2.gz PIUZWNMTEUPSSR-LJQANCHMSA-N 2 1 350.507 0.385 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279975301 863162025 /nfs/dbraw/zinc/16/20/25/863162025.db2.gz DQZXDBLWZDHHTI-SFHVURJKSA-N 2 1 369.579 0.689 20 0 FCADMP COC[C@H](C(=O)OC)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001280053683 863223611 /nfs/dbraw/zinc/22/36/11/863223611.db2.gz OHZRNOFTOVQBAV-MRXNPFEDSA-N 2 1 350.463 0.859 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@@H+](CC2COC(C)(C)OC2)C3)CC1 ZINC001280125023 863276347 /nfs/dbraw/zinc/27/63/47/863276347.db2.gz AFUPWYLQPKPYQG-DNVCBOLYSA-N 2 1 351.491 0.918 20 0 FCADMP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126664 863278449 /nfs/dbraw/zinc/27/84/49/863278449.db2.gz YFDZJHVBWOPXEZ-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](C[C@@H]4CCCOC4)C3)O2)CC1 ZINC001280135469 863286750 /nfs/dbraw/zinc/28/67/50/863286750.db2.gz IOKGEOLBADSGJF-RDJZCZTQSA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]23)CC1 ZINC001280136852 863286803 /nfs/dbraw/zinc/28/68/03/863286803.db2.gz RYPKOJZQAMCVPV-CWRNSKLLSA-N 2 1 350.463 0.310 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183460 863312655 /nfs/dbraw/zinc/31/26/55/863312655.db2.gz CDIJNXSYGQOIEJ-VDZJLULYSA-N 2 1 351.491 0.545 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256812 863364286 /nfs/dbraw/zinc/36/42/86/863364286.db2.gz LLEAGJSRQBEWEJ-QMTMVMCOSA-N 2 1 350.482 0.515 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256812 863364298 /nfs/dbraw/zinc/36/42/98/863364298.db2.gz LLEAGJSRQBEWEJ-QMTMVMCOSA-N 2 1 350.482 0.515 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256812 863364312 /nfs/dbraw/zinc/36/43/12/863364312.db2.gz LLEAGJSRQBEWEJ-QMTMVMCOSA-N 2 1 350.482 0.515 20 0 FCADMP C[N@H+]1CCC[C@@H](CN2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262370 863369132 /nfs/dbraw/zinc/36/91/32/863369132.db2.gz ZIPQXBBRZROALX-CVEARBPZSA-N 2 1 371.547 0.591 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280301710 863394343 /nfs/dbraw/zinc/39/43/43/863394343.db2.gz CTDZELZZRPYFLH-GOSISDBHSA-N 2 1 353.511 0.082 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001281462893 863519818 /nfs/dbraw/zinc/51/98/18/863519818.db2.gz KIOKYIMAJWGZNU-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001281462893 863519828 /nfs/dbraw/zinc/51/98/28/863519828.db2.gz KIOKYIMAJWGZNU-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001281462893 863519833 /nfs/dbraw/zinc/51/98/33/863519833.db2.gz KIOKYIMAJWGZNU-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001281986924 864022352 /nfs/dbraw/zinc/02/23/52/864022352.db2.gz SCECPONQMMMGHW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001281986924 864022367 /nfs/dbraw/zinc/02/23/67/864022367.db2.gz SCECPONQMMMGHW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001281986924 864022383 /nfs/dbraw/zinc/02/23/83/864022383.db2.gz SCECPONQMMMGHW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]21 ZINC001289833109 865293317 /nfs/dbraw/zinc/29/33/17/865293317.db2.gz HUBQHPLVYCQPGG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001289833109 865293325 /nfs/dbraw/zinc/29/33/25/865293325.db2.gz HUBQHPLVYCQPGG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC001289833109 865293330 /nfs/dbraw/zinc/29/33/30/865293330.db2.gz HUBQHPLVYCQPGG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304859967 866555926 /nfs/dbraw/zinc/55/59/26/866555926.db2.gz FWTHOFVBBJESPZ-DOTOQJQBSA-N 2 1 366.535 0.545 20 0 FCADMP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304859967 866555941 /nfs/dbraw/zinc/55/59/41/866555941.db2.gz FWTHOFVBBJESPZ-DOTOQJQBSA-N 2 1 366.535 0.545 20 0 FCADMP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304860005 866556800 /nfs/dbraw/zinc/55/68/00/866556800.db2.gz FWTHOFVBBJESPZ-WBVHZDCISA-N 2 1 366.535 0.545 20 0 FCADMP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304860005 866556810 /nfs/dbraw/zinc/55/68/10/866556810.db2.gz FWTHOFVBBJESPZ-WBVHZDCISA-N 2 1 366.535 0.545 20 0 FCADMP COC(=O)[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1 ZINC001307847832 866678292 /nfs/dbraw/zinc/67/82/92/866678292.db2.gz NJNCLNLTSQWEIV-OAHLLOKOSA-N 2 1 354.495 0.012 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001350908091 866727763 /nfs/dbraw/zinc/72/77/63/866727763.db2.gz AMXDCNIWMGNSMC-YNEHKIRRSA-N 2 1 350.385 0.520 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001351129564 866787428 /nfs/dbraw/zinc/78/74/28/866787428.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001351129564 866787438 /nfs/dbraw/zinc/78/74/38/866787438.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351129564 866787446 /nfs/dbraw/zinc/78/74/46/866787446.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 1 355.527 0.421 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001316615878 867365132 /nfs/dbraw/zinc/36/51/32/867365132.db2.gz PZFLJPAZRQNPKN-VVLHAWIVSA-N 2 1 352.523 0.973 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC001318696752 867730212 /nfs/dbraw/zinc/73/02/12/867730212.db2.gz SWSGLYSPPXYINP-KLHDSHLOSA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC001325829471 870049923 /nfs/dbraw/zinc/04/99/23/870049923.db2.gz BBDZVEXWIKVCJR-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@H]1CCC[NH2+]C1 ZINC001343715975 870568154 /nfs/dbraw/zinc/56/81/54/870568154.db2.gz GNYOGKIOSFPQEP-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@H]1CCC[NH2+]C1 ZINC001343715974 870568389 /nfs/dbraw/zinc/56/83/89/870568389.db2.gz GNYOGKIOSFPQEP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CS(=O)(=O)Nc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC001326948081 870585508 /nfs/dbraw/zinc/58/55/08/870585508.db2.gz HYHQDMJBOIIIFC-UHFFFAOYSA-N 2 1 369.491 0.394 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC001326968843 870595441 /nfs/dbraw/zinc/59/54/41/870595441.db2.gz OKGSLTSCFLLYLU-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)C1CCN(C(=O)Cc2noc(C[NH2+]C[C@H]3CCCO3)n2)CC1 ZINC001327022637 870619469 /nfs/dbraw/zinc/61/94/69/870619469.db2.gz QCBQUDFPWCWUFQ-CQSZACIVSA-N 2 1 351.451 0.433 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001344214067 870771529 /nfs/dbraw/zinc/77/15/29/870771529.db2.gz FUFIIADTRCMXGP-NQNKBUKLSA-N 2 1 352.523 0.924 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001327498168 870909618 /nfs/dbraw/zinc/90/96/18/870909618.db2.gz ICEFIRVKVCXNAB-KGLIPLIRSA-N 2 1 363.428 0.702 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327522050 870922394 /nfs/dbraw/zinc/92/23/94/870922394.db2.gz YYIYWGGNQJHPED-INIZCTEOSA-N 2 1 350.507 0.827 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001327840430 871107443 /nfs/dbraw/zinc/10/74/43/871107443.db2.gz PHAZWUXNUZXFER-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC001345131355 871202955 /nfs/dbraw/zinc/20/29/55/871202955.db2.gz JCDTYSXPYGFUDO-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC001345131354 871203085 /nfs/dbraw/zinc/20/30/85/871203085.db2.gz JCDTYSXPYGFUDO-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001345606065 871430094 /nfs/dbraw/zinc/43/00/94/871430094.db2.gz NVUHSXFTXGQBIX-UHFFFAOYSA-N 2 1 368.499 0.548 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001345964227 871578703 /nfs/dbraw/zinc/57/87/03/871578703.db2.gz CPCLXJGALBWRMY-OWSLCNJRSA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001345964227 871578720 /nfs/dbraw/zinc/57/87/20/871578720.db2.gz CPCLXJGALBWRMY-OWSLCNJRSA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001345964227 871578738 /nfs/dbraw/zinc/57/87/38/871578738.db2.gz CPCLXJGALBWRMY-OWSLCNJRSA-N 2 1 352.523 0.628 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328846844 871663302 /nfs/dbraw/zinc/66/33/02/871663302.db2.gz VSSWOARTYBUQSC-RCCFBDPRSA-N 2 1 352.523 0.759 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nnnn1C ZINC001346916397 872061830 /nfs/dbraw/zinc/06/18/30/872061830.db2.gz FALUVNYZHWDXEU-ZIAGYGMSSA-N 2 1 352.487 0.329 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001348480053 872708897 /nfs/dbraw/zinc/70/88/97/872708897.db2.gz FJSOAQCQGOPGCA-SFHVURJKSA-N 2 1 352.523 0.485 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330691802 872767862 /nfs/dbraw/zinc/76/78/62/872767862.db2.gz RSEVTBMRKAXRPB-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(C2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC001348700894 872770223 /nfs/dbraw/zinc/77/02/23/872770223.db2.gz JRXYBGGNKBEXFJ-ZDUSSCGKSA-N 2 1 351.417 0.688 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1CCCO1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330776819 872808407 /nfs/dbraw/zinc/80/84/07/872808407.db2.gz AXHUMXLISSOANU-CJNGLKHVSA-N 2 1 350.467 0.100 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001331028074 872920978 /nfs/dbraw/zinc/92/09/78/872920978.db2.gz BHAGGHBTENSQFW-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119787 872967809 /nfs/dbraw/zinc/96/78/09/872967809.db2.gz PXTJMZKWAJSQCG-NNXHMXCWSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453704 873111893 /nfs/dbraw/zinc/11/18/93/873111893.db2.gz OBNMCHKVDZESDL-FUHWJXTLSA-N 2 1 353.511 0.163 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C1CCCC1 ZINC001331496068 873124470 /nfs/dbraw/zinc/12/44/70/873124470.db2.gz HPWZQGGPCLWJEK-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC001331904637 873298312 /nfs/dbraw/zinc/29/83/12/873298312.db2.gz HEQVSWGGXCPEPS-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332077106 873361912 /nfs/dbraw/zinc/36/19/12/873361912.db2.gz MNJYNUSOSFGPIZ-GOSISDBHSA-N 2 1 352.523 0.679 20 0 FCADMP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332077107 873362093 /nfs/dbraw/zinc/36/20/93/873362093.db2.gz MNJYNUSOSFGPIZ-SFHVURJKSA-N 2 1 352.523 0.679 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511496 873537398 /nfs/dbraw/zinc/53/73/98/873537398.db2.gz QHBFSYQQWXMZBQ-LSDHHAIUSA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511496 873537403 /nfs/dbraw/zinc/53/74/03/873537403.db2.gz QHBFSYQQWXMZBQ-LSDHHAIUSA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511496 873537407 /nfs/dbraw/zinc/53/74/07/873537407.db2.gz QHBFSYQQWXMZBQ-LSDHHAIUSA-N 2 1 351.499 0.439 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001332967770 873739609 /nfs/dbraw/zinc/73/96/09/873739609.db2.gz YYEDJCAFENNTQS-INIZCTEOSA-N 2 1 351.499 0.704 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001332967770 873739621 /nfs/dbraw/zinc/73/96/21/873739621.db2.gz YYEDJCAFENNTQS-INIZCTEOSA-N 2 1 351.499 0.704 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)CCC(F)(F)F ZINC001336628190 874014980 /nfs/dbraw/zinc/01/49/80/874014980.db2.gz PBJSLAMKXLBEBT-GFCCVEGCSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)CCC(F)(F)F ZINC001336628190 874014995 /nfs/dbraw/zinc/01/49/95/874014995.db2.gz PBJSLAMKXLBEBT-GFCCVEGCSA-N 2 1 352.401 0.574 20 0 FCADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263818 949407340 /nfs/dbraw/zinc/40/73/40/949407340.db2.gz JWBLHQLZJUAFQF-ZFWWWQNUSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711270 949531229 /nfs/dbraw/zinc/53/12/29/949531229.db2.gz FOSQCFGYUNGDFZ-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711270 949531244 /nfs/dbraw/zinc/53/12/44/949531244.db2.gz FOSQCFGYUNGDFZ-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575876240 949645030 /nfs/dbraw/zinc/64/50/30/949645030.db2.gz JMYPESADUONNSS-TZMCWYRMSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283685 949883112 /nfs/dbraw/zinc/88/31/12/949883112.db2.gz GRRWZHIMYYFKOF-STQMWFEESA-N 2 1 374.493 0.967 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574731365 950046975 /nfs/dbraw/zinc/04/69/75/950046975.db2.gz CUYDMKSZJDFYAK-JHJVBQTASA-N 2 1 358.450 0.283 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196462 950366895 /nfs/dbraw/zinc/36/68/95/950366895.db2.gz FAHOEVJSRVCRJY-ZIAGYGMSSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974253 950403875 /nfs/dbraw/zinc/40/38/75/950403875.db2.gz LOOPZZOJRRXYOO-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974253 950403891 /nfs/dbraw/zinc/40/38/91/950403891.db2.gz LOOPZZOJRRXYOO-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974253 950403899 /nfs/dbraw/zinc/40/38/99/950403899.db2.gz LOOPZZOJRRXYOO-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205319 950506560 /nfs/dbraw/zinc/50/65/60/950506560.db2.gz XBVBSSKKWHHKNN-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205319 950506572 /nfs/dbraw/zinc/50/65/72/950506572.db2.gz XBVBSSKKWHHKNN-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205319 950506587 /nfs/dbraw/zinc/50/65/87/950506587.db2.gz XBVBSSKKWHHKNN-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001570981184 950578013 /nfs/dbraw/zinc/57/80/13/950578013.db2.gz FUYIFCABFFCAGE-ZDUSSCGKSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001570981184 950578039 /nfs/dbraw/zinc/57/80/39/950578039.db2.gz FUYIFCABFFCAGE-ZDUSSCGKSA-N 2 1 356.434 0.252 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981174 950579106 /nfs/dbraw/zinc/57/91/06/950579106.db2.gz FKCQUSKKIROLEW-QWHCGFSZSA-N 2 1 356.434 0.038 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214572 950675760 /nfs/dbraw/zinc/67/57/60/950675760.db2.gz QBMWWLPXJOYAQE-RRQGHBQHSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099024 951827696 /nfs/dbraw/zinc/82/76/96/951827696.db2.gz HEDLJSUBOADZRL-VXGBXAGGSA-N 2 1 363.491 0.722 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113964 951951685 /nfs/dbraw/zinc/95/16/85/951951685.db2.gz JELWIVYTQCTURW-XJKSGUPXSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113964 951951690 /nfs/dbraw/zinc/95/16/90/951951690.db2.gz JELWIVYTQCTURW-XJKSGUPXSA-N 2 1 373.461 0.039 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001571062733 951956946 /nfs/dbraw/zinc/95/69/46/951956946.db2.gz BEFLZGZQQFTVDU-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571062733 951956950 /nfs/dbraw/zinc/95/69/50/951956950.db2.gz BEFLZGZQQFTVDU-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571062733 951956954 /nfs/dbraw/zinc/95/69/54/951956954.db2.gz BEFLZGZQQFTVDU-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001571062735 951957316 /nfs/dbraw/zinc/95/73/16/951957316.db2.gz BEFLZGZQQFTVDU-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571062735 951957334 /nfs/dbraw/zinc/95/73/34/951957334.db2.gz BEFLZGZQQFTVDU-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571062735 951957344 /nfs/dbraw/zinc/95/73/44/951957344.db2.gz BEFLZGZQQFTVDU-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063389 951967454 /nfs/dbraw/zinc/96/74/54/951967454.db2.gz LOFPRACHNKMFRS-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063389 951967457 /nfs/dbraw/zinc/96/74/57/951967457.db2.gz LOFPRACHNKMFRS-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063389 951967459 /nfs/dbraw/zinc/96/74/59/951967459.db2.gz LOFPRACHNKMFRS-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571077701 952122559 /nfs/dbraw/zinc/12/25/59/952122559.db2.gz FOEPRPPCCOTCJH-MGPQQGTHSA-N 2 1 370.461 0.427 20 0 FCADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078425 952129903 /nfs/dbraw/zinc/12/99/03/952129903.db2.gz QCSFAWPDZVQBHC-DZGCQCFKSA-N 2 1 370.461 0.607 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143828 952157456 /nfs/dbraw/zinc/15/74/56/952157456.db2.gz CWJBEUOWQMSHTK-BBRMVZONSA-N 2 1 372.477 0.815 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000292017702 214071608 /nfs/dbraw/zinc/07/16/08/214071608.db2.gz VBMZESHZGRKOIG-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)nc1 ZINC000292017702 214071611 /nfs/dbraw/zinc/07/16/11/214071611.db2.gz VBMZESHZGRKOIG-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)nc1 ZINC000292017702 214071613 /nfs/dbraw/zinc/07/16/13/214071613.db2.gz VBMZESHZGRKOIG-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP CNC(=O)CC[NH+](C)Cc1cc(C[N@H+](C)CCC(=O)NC)cc(OC)c1 ZINC000292722709 214118991 /nfs/dbraw/zinc/11/89/91/214118991.db2.gz UQQYLEQLCWJQFA-UHFFFAOYSA-N 2 1 364.490 0.831 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000293153040 214151000 /nfs/dbraw/zinc/15/10/00/214151000.db2.gz HRXMHIHTAKUBDS-SFHVURJKSA-N 2 1 354.414 0.760 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cn2cc[nH+]c12 ZINC000293398032 214169949 /nfs/dbraw/zinc/16/99/49/214169949.db2.gz MGYYUDGVXJVECV-INIZCTEOSA-N 2 1 373.457 0.934 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cn2cc[nH+]c12 ZINC000293398032 214169953 /nfs/dbraw/zinc/16/99/53/214169953.db2.gz MGYYUDGVXJVECV-INIZCTEOSA-N 2 1 373.457 0.934 20 0 FCADMP COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000295024007 214274376 /nfs/dbraw/zinc/27/43/76/214274376.db2.gz KYDXKORDATWUAF-GOSISDBHSA-N 2 1 363.462 0.240 20 0 FCADMP COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000295024007 214274379 /nfs/dbraw/zinc/27/43/79/214274379.db2.gz KYDXKORDATWUAF-GOSISDBHSA-N 2 1 363.462 0.240 20 0 FCADMP C[C@H](O)C[NH+](CCO)Cc1cc(C[N@H+](CCO)C[C@H](C)O)ccc1F ZINC000295256976 214288769 /nfs/dbraw/zinc/28/87/69/214288769.db2.gz XOPYMAONCGVCIQ-GJZGRUSLSA-N 2 1 358.454 0.176 20 0 FCADMP C[C@H](O)C[NH+](CCO)Cc1ccc(F)c(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000295256976 214288771 /nfs/dbraw/zinc/28/87/71/214288771.db2.gz XOPYMAONCGVCIQ-GJZGRUSLSA-N 2 1 358.454 0.176 20 0 FCADMP C[C@H](O)C[NH+](CCO)Cc1ccc(F)c(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000295256976 214288775 /nfs/dbraw/zinc/28/87/75/214288775.db2.gz XOPYMAONCGVCIQ-GJZGRUSLSA-N 2 1 358.454 0.176 20 0 FCADMP C[NH+](CCOCCO)Cc1cc(C[N@H+](C)CCOCCO)ccc1F ZINC000295499070 214300402 /nfs/dbraw/zinc/30/04/02/214300402.db2.gz ZXVWDFSILBULFD-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP C[NH+](CCOCCO)Cc1cc(C[N@@H+](C)CCOCCO)ccc1F ZINC000295499070 214300405 /nfs/dbraw/zinc/30/04/05/214300405.db2.gz ZXVWDFSILBULFD-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP C[NH+](CCOCCO)Cc1ccc(F)c(C[N@H+](C)CCOCCO)c1 ZINC000295499070 214300409 /nfs/dbraw/zinc/30/04/09/214300409.db2.gz ZXVWDFSILBULFD-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP C[NH+](CCOCCO)Cc1ccc(F)c(C[N@@H+](C)CCOCCO)c1 ZINC000295499070 214300411 /nfs/dbraw/zinc/30/04/11/214300411.db2.gz ZXVWDFSILBULFD-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]C[C@@H]3c3ccncc3)cn2)CC1 ZINC000262089195 529777928 /nfs/dbraw/zinc/77/79/28/529777928.db2.gz UPKYMHJKFRIVOW-GOSISDBHSA-N 2 1 353.474 0.770 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410557733 529886215 /nfs/dbraw/zinc/88/62/15/529886215.db2.gz ONJBGABCLRDQER-UHFFFAOYSA-N 2 1 366.506 0.254 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000331536834 215011548 /nfs/dbraw/zinc/01/15/48/215011548.db2.gz DRBYDSYCHOJNHG-YJBOKZPZSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000331570990 215017542 /nfs/dbraw/zinc/01/75/42/215017542.db2.gz VLIMJDPUXYKLDY-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000331570990 215017543 /nfs/dbraw/zinc/01/75/43/215017543.db2.gz VLIMJDPUXYKLDY-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000331570990 215017546 /nfs/dbraw/zinc/01/75/46/215017546.db2.gz VLIMJDPUXYKLDY-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)C1 ZINC000331594808 215019891 /nfs/dbraw/zinc/01/98/91/215019891.db2.gz OFQUNMGFHHJQNT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)C1 ZINC000331594808 215019895 /nfs/dbraw/zinc/01/98/95/215019895.db2.gz OFQUNMGFHHJQNT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)C1 ZINC000331594808 215019898 /nfs/dbraw/zinc/01/98/98/215019898.db2.gz OFQUNMGFHHJQNT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)C1 ZINC000331594808 215019900 /nfs/dbraw/zinc/01/99/00/215019900.db2.gz OFQUNMGFHHJQNT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)C1 ZINC000331594793 215020504 /nfs/dbraw/zinc/02/05/04/215020504.db2.gz OFQUNMGFHHJQNT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)C1 ZINC000331594793 215020509 /nfs/dbraw/zinc/02/05/09/215020509.db2.gz OFQUNMGFHHJQNT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)C1 ZINC000331594793 215020512 /nfs/dbraw/zinc/02/05/12/215020512.db2.gz OFQUNMGFHHJQNT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)C1 ZINC000331594793 215020514 /nfs/dbraw/zinc/02/05/14/215020514.db2.gz OFQUNMGFHHJQNT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000331640911 215028352 /nfs/dbraw/zinc/02/83/52/215028352.db2.gz UPRWTRRQZGCXHW-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000331640911 215028354 /nfs/dbraw/zinc/02/83/54/215028354.db2.gz UPRWTRRQZGCXHW-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331640911 215028357 /nfs/dbraw/zinc/02/83/57/215028357.db2.gz UPRWTRRQZGCXHW-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331640911 215028359 /nfs/dbraw/zinc/02/83/59/215028359.db2.gz UPRWTRRQZGCXHW-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[NH+](C)C1 ZINC000331700987 215036871 /nfs/dbraw/zinc/03/68/71/215036871.db2.gz XYKDXMDKUBEMFZ-QZWWFDLISA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)[N@H+](C)C1 ZINC000331700987 215036873 /nfs/dbraw/zinc/03/68/73/215036873.db2.gz XYKDXMDKUBEMFZ-QZWWFDLISA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)[N@@H+](C)C1 ZINC000331700987 215036876 /nfs/dbraw/zinc/03/68/76/215036876.db2.gz XYKDXMDKUBEMFZ-QZWWFDLISA-N 2 1 366.506 0.107 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000331718163 215039174 /nfs/dbraw/zinc/03/91/74/215039174.db2.gz PVIAZOSRRJPHOB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)[C@H]2C1 ZINC000331718163 215039178 /nfs/dbraw/zinc/03/91/78/215039178.db2.gz PVIAZOSRRJPHOB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)[C@H]2C1 ZINC000331718163 215039180 /nfs/dbraw/zinc/03/91/80/215039180.db2.gz PVIAZOSRRJPHOB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000332040959 215082595 /nfs/dbraw/zinc/08/25/95/215082595.db2.gz JMYUEOVUMDPPAC-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332040959 215082596 /nfs/dbraw/zinc/08/25/96/215082596.db2.gz JMYUEOVUMDPPAC-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332040959 215082599 /nfs/dbraw/zinc/08/25/99/215082599.db2.gz JMYUEOVUMDPPAC-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332063305 215085427 /nfs/dbraw/zinc/08/54/27/215085427.db2.gz QMDJBWMXLZKKBA-HZPDHXFCSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332063305 215085430 /nfs/dbraw/zinc/08/54/30/215085430.db2.gz QMDJBWMXLZKKBA-HZPDHXFCSA-N 2 1 359.474 0.638 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H]1[NH+](C)C ZINC000332134594 215098753 /nfs/dbraw/zinc/09/87/53/215098753.db2.gz LTFFBBVNVICKRG-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332162040 215103926 /nfs/dbraw/zinc/10/39/26/215103926.db2.gz QCNJOAQSQQJHJT-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP Cn1ccc(CN[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000264922979 210016122 /nfs/dbraw/zinc/01/61/22/210016122.db2.gz WIAVKUHSEDYYJR-MRXNPFEDSA-N 2 1 357.462 0.805 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H](C)C1 ZINC000332343393 215133823 /nfs/dbraw/zinc/13/38/23/215133823.db2.gz SOIJRXKNFTURDZ-ALYAQQCSSA-N 2 1 350.507 0.761 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332384827 215141375 /nfs/dbraw/zinc/14/13/75/215141375.db2.gz IJRAFBSPWSJOPQ-ZACQAIPSSA-N 2 1 366.506 0.140 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332384827 215141380 /nfs/dbraw/zinc/14/13/80/215141380.db2.gz IJRAFBSPWSJOPQ-ZACQAIPSSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332528636 215169351 /nfs/dbraw/zinc/16/93/51/215169351.db2.gz GERIDTXIRSKTKA-ZBFHGGJFSA-N 2 1 352.479 0.038 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000332820173 215212265 /nfs/dbraw/zinc/21/22/65/215212265.db2.gz ZYGHJUXXNAVUGG-KURKYZTESA-N 2 1 367.538 0.375 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000333007090 215222678 /nfs/dbraw/zinc/22/26/78/215222678.db2.gz AHQAIBFPHZHQQJ-SJORKVTESA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000333063048 215230002 /nfs/dbraw/zinc/23/00/02/215230002.db2.gz IWZHHLKQPYWONO-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000333063048 215230004 /nfs/dbraw/zinc/23/00/04/215230004.db2.gz IWZHHLKQPYWONO-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000333063048 215230008 /nfs/dbraw/zinc/23/00/08/215230008.db2.gz IWZHHLKQPYWONO-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000333063048 215230009 /nfs/dbraw/zinc/23/00/09/215230009.db2.gz IWZHHLKQPYWONO-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144747 215241980 /nfs/dbraw/zinc/24/19/80/215241980.db2.gz ZKNLGOYKEDLQJY-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144747 215241983 /nfs/dbraw/zinc/24/19/83/215241983.db2.gz ZKNLGOYKEDLQJY-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144747 215241986 /nfs/dbraw/zinc/24/19/86/215241986.db2.gz ZKNLGOYKEDLQJY-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333291359 215259942 /nfs/dbraw/zinc/25/99/42/215259942.db2.gz OSUPNTVAPDLTSC-APWZRJJASA-N 2 1 364.490 0.054 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333292856 215260566 /nfs/dbraw/zinc/26/05/66/215260566.db2.gz HZGDOMWHNNJAIT-DLBZAZTESA-N 2 1 365.522 0.857 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333292856 215260569 /nfs/dbraw/zinc/26/05/69/215260569.db2.gz HZGDOMWHNNJAIT-DLBZAZTESA-N 2 1 365.522 0.857 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000333359552 215269539 /nfs/dbraw/zinc/26/95/39/215269539.db2.gz CQLGCUVGTBMPKF-LSDHHAIUSA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000333359552 215269543 /nfs/dbraw/zinc/26/95/43/215269543.db2.gz CQLGCUVGTBMPKF-LSDHHAIUSA-N 2 1 357.520 0.486 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333486564 215288355 /nfs/dbraw/zinc/28/83/55/215288355.db2.gz CSXPPMHKRSFDRQ-AWEZNQCLSA-N 2 1 365.444 0.948 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333455156 215284642 /nfs/dbraw/zinc/28/46/42/215284642.db2.gz YDPQPBIQFLSWKY-SQNIBIBYSA-N 2 1 372.517 0.843 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627435 215303728 /nfs/dbraw/zinc/30/37/28/215303728.db2.gz FZUDFYAIPYCPRO-RCCFBDPRSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000333662920 215306219 /nfs/dbraw/zinc/30/62/19/215306219.db2.gz XFFHZCKJLUJMOF-JKSUJKDBSA-N 2 1 354.495 0.494 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333684432 215307248 /nfs/dbraw/zinc/30/72/48/215307248.db2.gz AFLNSBKOJZYNDY-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000333761611 215316297 /nfs/dbraw/zinc/31/62/97/215316297.db2.gz ANRVKPSZBQRWRH-JKSUJKDBSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000333771268 215317443 /nfs/dbraw/zinc/31/74/43/215317443.db2.gz RRGVMYGHPAGROV-CALCHBBNSA-N 2 1 368.522 0.728 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333770752 215317596 /nfs/dbraw/zinc/31/75/96/215317596.db2.gz FILVUIVMCATDMU-BZUAXINKSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333770752 215317600 /nfs/dbraw/zinc/31/76/00/215317600.db2.gz FILVUIVMCATDMU-BZUAXINKSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333770755 215317950 /nfs/dbraw/zinc/31/79/50/215317950.db2.gz FILVUIVMCATDMU-PMPSAXMXSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333770755 215317953 /nfs/dbraw/zinc/31/79/53/215317953.db2.gz FILVUIVMCATDMU-PMPSAXMXSA-N 2 1 351.495 0.370 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000333815541 215321004 /nfs/dbraw/zinc/32/10/04/215321004.db2.gz QGWDBXJOMIIJBD-IBGZPJMESA-N 2 1 365.522 0.762 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000333807380 215321604 /nfs/dbraw/zinc/32/16/04/215321604.db2.gz IRPPIWNEHDEURF-VVLHAWIVSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000333807380 215321608 /nfs/dbraw/zinc/32/16/08/215321608.db2.gz IRPPIWNEHDEURF-VVLHAWIVSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851091 215324896 /nfs/dbraw/zinc/32/48/96/215324896.db2.gz QAXZMHOTJSJXHK-IIVZCXTMSA-N 2 1 363.506 0.511 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333894696 215328530 /nfs/dbraw/zinc/32/85/30/215328530.db2.gz HQMOHJGSHHKCCK-IRXDYDNUSA-N 2 1 353.511 0.032 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333891211 215328885 /nfs/dbraw/zinc/32/88/85/215328885.db2.gz GYPSVWQWIMIKJC-MWDXBVQZSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000360887459 215371987 /nfs/dbraw/zinc/37/19/87/215371987.db2.gz CWKNAZKHOWNPDS-IKGGRYGDSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000360887459 215371990 /nfs/dbraw/zinc/37/19/90/215371990.db2.gz CWKNAZKHOWNPDS-IKGGRYGDSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000360887459 215371994 /nfs/dbraw/zinc/37/19/94/215371994.db2.gz CWKNAZKHOWNPDS-IKGGRYGDSA-N 2 1 353.511 0.032 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000360977257 215377612 /nfs/dbraw/zinc/37/76/12/215377612.db2.gz NCAPVXXAKXHXMZ-SQNIBIBYSA-N 2 1 368.522 0.584 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013886 215379076 /nfs/dbraw/zinc/37/90/76/215379076.db2.gz WQTVKSRDDBJOIE-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000361013886 215379079 /nfs/dbraw/zinc/37/90/79/215379079.db2.gz WQTVKSRDDBJOIE-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000361013886 215379083 /nfs/dbraw/zinc/37/90/83/215379083.db2.gz WQTVKSRDDBJOIE-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443029 213342294 /nfs/dbraw/zinc/34/22/94/213342294.db2.gz ZCLOGPUHKBPREQ-HZPDHXFCSA-N 2 1 359.474 0.943 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000930958700 674081875 /nfs/dbraw/zinc/08/18/75/674081875.db2.gz XSPWUHUDPZJGOK-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000930958700 674081876 /nfs/dbraw/zinc/08/18/76/674081876.db2.gz XSPWUHUDPZJGOK-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000930958700 674081879 /nfs/dbraw/zinc/08/18/79/674081879.db2.gz XSPWUHUDPZJGOK-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213953 213303663 /nfs/dbraw/zinc/30/36/63/213303663.db2.gz WGJAPURSPFRMQQ-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213953 213303667 /nfs/dbraw/zinc/30/36/67/213303667.db2.gz WGJAPURSPFRMQQ-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000285213953 213303670 /nfs/dbraw/zinc/30/36/70/213303670.db2.gz WGJAPURSPFRMQQ-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000285089127 213281398 /nfs/dbraw/zinc/28/13/98/213281398.db2.gz UVVYFLQELQOMAK-UHFFFAOYSA-N 2 1 359.474 0.373 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000285016209 213266958 /nfs/dbraw/zinc/26/69/58/213266958.db2.gz UHRWMPOHIIZHBY-HUUCEWRRSA-N 2 1 350.463 0.989 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284563845 213169528 /nfs/dbraw/zinc/16/95/28/213169528.db2.gz VSSRJIUJNAGDNV-CABCVRRESA-N 2 1 350.463 0.799 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284563845 213169533 /nfs/dbraw/zinc/16/95/33/213169533.db2.gz VSSRJIUJNAGDNV-CABCVRRESA-N 2 1 350.463 0.799 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284402525 213131032 /nfs/dbraw/zinc/13/10/32/213131032.db2.gz NDOMPSPQCQOWGG-CQSZACIVSA-N 2 1 354.451 0.083 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284402525 213131036 /nfs/dbraw/zinc/13/10/36/213131036.db2.gz NDOMPSPQCQOWGG-CQSZACIVSA-N 2 1 354.451 0.083 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284402520 213129743 /nfs/dbraw/zinc/12/97/43/213129743.db2.gz NDOMPSPQCQOWGG-AWEZNQCLSA-N 2 1 354.451 0.083 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284402520 213129744 /nfs/dbraw/zinc/12/97/44/213129744.db2.gz NDOMPSPQCQOWGG-AWEZNQCLSA-N 2 1 354.451 0.083 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849024 213019956 /nfs/dbraw/zinc/01/99/56/213019956.db2.gz FRSFOCJAAOSIRM-IRXDYDNUSA-N 2 1 362.474 0.242 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908198 237096438 /nfs/dbraw/zinc/09/64/38/237096438.db2.gz HQUGLJXHSSCGOV-NQYYFHDYSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908198 237096445 /nfs/dbraw/zinc/09/64/45/237096445.db2.gz HQUGLJXHSSCGOV-NQYYFHDYSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411908198 237096454 /nfs/dbraw/zinc/09/64/54/237096454.db2.gz HQUGLJXHSSCGOV-NQYYFHDYSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411908198 237096462 /nfs/dbraw/zinc/09/64/62/237096462.db2.gz HQUGLJXHSSCGOV-NQYYFHDYSA-N 2 1 361.486 0.847 20 0 FCADMP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000366663244 216012829 /nfs/dbraw/zinc/01/28/29/216012829.db2.gz OOSNWAQKYJMSNV-HIFRSBDPSA-N 2 1 354.520 0.364 20 0 FCADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000366663244 216012831 /nfs/dbraw/zinc/01/28/31/216012831.db2.gz OOSNWAQKYJMSNV-HIFRSBDPSA-N 2 1 354.520 0.364 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000413120956 237278845 /nfs/dbraw/zinc/27/88/45/237278845.db2.gz FAGZBXJMRXMNHH-HNNXBMFYSA-N 2 1 354.495 0.459 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000413120956 237278850 /nfs/dbraw/zinc/27/88/50/237278850.db2.gz FAGZBXJMRXMNHH-HNNXBMFYSA-N 2 1 354.495 0.459 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000413062267 237267205 /nfs/dbraw/zinc/26/72/05/237267205.db2.gz OTEXNBSHQHNWSP-UHFFFAOYSA-N 2 1 356.511 0.851 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959669 216056655 /nfs/dbraw/zinc/05/66/55/216056655.db2.gz FNPLJSQCIIKZLL-JONQDZQNSA-N 2 1 354.470 0.478 20 0 FCADMP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367027835 216066534 /nfs/dbraw/zinc/06/65/34/216066534.db2.gz HFYMDQAMQZTYPO-SFHVURJKSA-N 2 1 364.534 0.775 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230908 216095040 /nfs/dbraw/zinc/09/50/40/216095040.db2.gz LFEPFYDXPKGENH-DOMZBBRYSA-N 2 1 365.396 0.966 20 0 FCADMP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[C@H]1O ZINC000367601602 216141384 /nfs/dbraw/zinc/14/13/84/216141384.db2.gz OQLTYCIXXAOUPI-IAGOWNOFSA-N 2 1 353.507 0.983 20 0 FCADMP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[C@H]1O ZINC000367601602 216141386 /nfs/dbraw/zinc/14/13/86/216141386.db2.gz OQLTYCIXXAOUPI-IAGOWNOFSA-N 2 1 353.507 0.983 20 0 FCADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000367999771 216190988 /nfs/dbraw/zinc/19/09/88/216190988.db2.gz VYJQCCHNNIKRHF-IJEWVQPXSA-N 2 1 355.479 0.615 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368188352 216214450 /nfs/dbraw/zinc/21/44/50/216214450.db2.gz CFELCPYYIRKBMR-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368188352 216214454 /nfs/dbraw/zinc/21/44/54/216214454.db2.gz CFELCPYYIRKBMR-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368188352 216214457 /nfs/dbraw/zinc/21/44/57/216214457.db2.gz CFELCPYYIRKBMR-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)CC[NH+](C)C ZINC000368188352 216214459 /nfs/dbraw/zinc/21/44/59/216214459.db2.gz CFELCPYYIRKBMR-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)CC[NH+](C)C ZINC000368188352 216214463 /nfs/dbraw/zinc/21/44/63/216214463.db2.gz CFELCPYYIRKBMR-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246344646 209384203 /nfs/dbraw/zinc/38/42/03/209384203.db2.gz VZJJIXZVTWKQEI-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246344646 209384206 /nfs/dbraw/zinc/38/42/06/209384206.db2.gz VZJJIXZVTWKQEI-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000246508995 209390647 /nfs/dbraw/zinc/39/06/47/209390647.db2.gz UNPVSUHUVNOWEP-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246508995 209390654 /nfs/dbraw/zinc/39/06/54/209390654.db2.gz UNPVSUHUVNOWEP-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP C[NH+](C)CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CCS(=O)(=O)C1 ZINC000368290466 216227910 /nfs/dbraw/zinc/22/79/10/216227910.db2.gz NSXQBWHGBNRZHN-LSDHHAIUSA-N 2 1 368.503 0.728 20 0 FCADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)CC2)[nH+]c1 ZINC000237874628 209359814 /nfs/dbraw/zinc/35/98/14/209359814.db2.gz AILRBBRNLJFPDP-KRWDZBQOSA-N 2 1 373.501 0.920 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000368598201 216269843 /nfs/dbraw/zinc/26/98/43/216269843.db2.gz NJEBGCGSHSRESJ-CYBMUJFWSA-N 2 1 353.385 0.478 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000368966182 216325562 /nfs/dbraw/zinc/32/55/62/216325562.db2.gz NPPGAXLKZWDQLM-DODZYUBVSA-N 2 1 358.486 0.991 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000368966182 216325564 /nfs/dbraw/zinc/32/55/64/216325564.db2.gz NPPGAXLKZWDQLM-DODZYUBVSA-N 2 1 358.486 0.991 20 0 FCADMP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCC[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327587 /nfs/dbraw/zinc/32/75/87/216327587.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[NH+]1CCCC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327589 /nfs/dbraw/zinc/32/75/89/216327589.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[NH+]1CCCC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327590 /nfs/dbraw/zinc/32/75/90/216327590.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 2 1 362.518 0.938 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H]1CO ZINC000190357675 209270661 /nfs/dbraw/zinc/27/06/61/209270661.db2.gz HFSOOBKPKIKWHZ-IAGOWNOFSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000369400615 216396662 /nfs/dbraw/zinc/39/66/62/216396662.db2.gz IEWFTDQHDGKLEO-SFHVURJKSA-N 2 1 369.554 0.811 20 0 FCADMP C[N@@H+](CCCN1C(=O)CNC1=O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188320384 209228517 /nfs/dbraw/zinc/22/85/17/209228517.db2.gz PPDMDKJFROZORP-IBGZPJMESA-N 2 1 360.458 0.497 20 0 FCADMP C[N@H+](CCCN1C(=O)CNC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188320384 209228520 /nfs/dbraw/zinc/22/85/20/209228520.db2.gz PPDMDKJFROZORP-IBGZPJMESA-N 2 1 360.458 0.497 20 0 FCADMP C[NH+](CCCN1C(=O)CNC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188320384 209228529 /nfs/dbraw/zinc/22/85/29/209228529.db2.gz PPDMDKJFROZORP-IBGZPJMESA-N 2 1 360.458 0.497 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188308796 209228545 /nfs/dbraw/zinc/22/85/45/209228545.db2.gz XTXPXKMVTNKRAY-DNVCBOLYSA-N 2 1 362.474 0.789 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000188356583 209228330 /nfs/dbraw/zinc/22/83/30/209228330.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CCN1CC(C)(C)O ZINC000188356583 209228331 /nfs/dbraw/zinc/22/83/31/209228331.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188305827 209228177 /nfs/dbraw/zinc/22/81/77/209228177.db2.gz AOHFWRDIXBLYER-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188305827 209228179 /nfs/dbraw/zinc/22/81/79/209228179.db2.gz AOHFWRDIXBLYER-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1(C)C ZINC000188122892 209224211 /nfs/dbraw/zinc/22/42/11/209224211.db2.gz QJDILPBXNNZDFA-APWZRJJASA-N 2 1 354.539 0.909 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000187467630 209212742 /nfs/dbraw/zinc/21/27/42/209212742.db2.gz PMGFGWAQTDRTMD-UHFFFAOYSA-N 2 1 361.490 0.787 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187191816 209206746 /nfs/dbraw/zinc/20/67/46/209206746.db2.gz PXNYFQOBBIHVQO-INIZCTEOSA-N 2 1 354.495 0.509 20 0 FCADMP CN1CCC([NH+]2CCC(NC(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000187090543 209203593 /nfs/dbraw/zinc/20/35/93/209203593.db2.gz QQVRQHAKDBOIHE-UHFFFAOYSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000275816266 212095666 /nfs/dbraw/zinc/09/56/66/212095666.db2.gz ZDKQMKSFZLZYAR-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000275816266 212095669 /nfs/dbraw/zinc/09/56/69/212095669.db2.gz ZDKQMKSFZLZYAR-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000373357452 217010471 /nfs/dbraw/zinc/01/04/71/217010471.db2.gz BZNVIPZGXINNMR-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000373357452 217010477 /nfs/dbraw/zinc/01/04/77/217010477.db2.gz BZNVIPZGXINNMR-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[NH2+]1 ZINC000415116028 245348302 /nfs/dbraw/zinc/34/83/02/245348302.db2.gz HJMPFBYHUFAXGH-CHWSQXEVSA-N 2 1 370.475 0.073 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000415158893 245351774 /nfs/dbraw/zinc/35/17/74/245351774.db2.gz JALDHGYKKQJPKP-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000415158893 245351783 /nfs/dbraw/zinc/35/17/83/245351783.db2.gz JALDHGYKKQJPKP-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000415152085 245353334 /nfs/dbraw/zinc/35/33/34/245353334.db2.gz BGDHUMIAKNFLNV-KGLIPLIRSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000415152085 245353340 /nfs/dbraw/zinc/35/33/40/245353340.db2.gz BGDHUMIAKNFLNV-KGLIPLIRSA-N 2 1 362.474 0.948 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1COCCN1C1CCCC1 ZINC000373526409 217029140 /nfs/dbraw/zinc/02/91/40/217029140.db2.gz CRHXRPSEWZIPEU-ZWKOTPCHSA-N 2 1 353.507 0.983 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182355359 209131016 /nfs/dbraw/zinc/13/10/16/209131016.db2.gz AMJLOOYSOJDQQI-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182355359 209131018 /nfs/dbraw/zinc/13/10/18/209131018.db2.gz AMJLOOYSOJDQQI-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000416857711 245648373 /nfs/dbraw/zinc/64/83/73/245648373.db2.gz YGDRKJFFBHCHPD-KRWDZBQOSA-N 2 1 363.506 0.892 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375805743 217319379 /nfs/dbraw/zinc/31/93/79/217319379.db2.gz NIRWQMSAPSYCKW-HZPDHXFCSA-N 2 1 368.478 0.130 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375805743 217319383 /nfs/dbraw/zinc/31/93/83/217319383.db2.gz NIRWQMSAPSYCKW-HZPDHXFCSA-N 2 1 368.478 0.130 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419129920 246005178 /nfs/dbraw/zinc/00/51/78/246005178.db2.gz DSBRYXXMJBMNAK-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419151143 246020670 /nfs/dbraw/zinc/02/06/70/246020670.db2.gz NDHSEYHILGBUGC-ZIAGYGMSSA-N 2 1 350.488 0.636 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000419156212 246022100 /nfs/dbraw/zinc/02/21/00/246022100.db2.gz SNRAEESHHKJCMC-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419131329 246007965 /nfs/dbraw/zinc/00/79/65/246007965.db2.gz GQEZLIVTOOMXCX-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419139979 246010932 /nfs/dbraw/zinc/01/09/32/246010932.db2.gz VGHHEGQWXHGRNE-XLIONFOSSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419140871 246013305 /nfs/dbraw/zinc/01/33/05/246013305.db2.gz WMLUDZMZTSFZBR-QRVBRYPASA-N 2 1 370.497 0.835 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419145005 246013684 /nfs/dbraw/zinc/01/36/84/246013684.db2.gz GCZYHIPRTBPZDX-HNNXBMFYSA-N 2 1 368.428 0.958 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)[nH+]1 ZINC000419143667 246013805 /nfs/dbraw/zinc/01/38/05/246013805.db2.gz ZKTFAKWNGXSLIS-XJKSGUPXSA-N 2 1 359.474 0.589 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165930 246028687 /nfs/dbraw/zinc/02/86/87/246028687.db2.gz GXEBZZSMOFNLON-OALUTQOASA-N 2 1 372.513 0.878 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419164496 246029385 /nfs/dbraw/zinc/02/93/85/246029385.db2.gz MCGLYMJKPFJINJ-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419166898 246031261 /nfs/dbraw/zinc/03/12/61/246031261.db2.gz HZKLRNJRXMTCMF-QFBILLFUSA-N 2 1 350.507 0.969 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419172822 246031626 /nfs/dbraw/zinc/03/16/26/246031626.db2.gz RRHFYEASIQEHEE-MOPGFXCFSA-N 2 1 372.513 0.783 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419172823 246032821 /nfs/dbraw/zinc/03/28/21/246032821.db2.gz RRHFYEASIQEHEE-OALUTQOASA-N 2 1 372.513 0.783 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000419182703 246039242 /nfs/dbraw/zinc/03/92/42/246039242.db2.gz BQMBEVSMUIQQGG-ZDUSSCGKSA-N 2 1 356.417 0.723 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000419182703 246039245 /nfs/dbraw/zinc/03/92/45/246039245.db2.gz BQMBEVSMUIQQGG-ZDUSSCGKSA-N 2 1 356.417 0.723 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000419183426 246040344 /nfs/dbraw/zinc/04/03/44/246040344.db2.gz MHPMIWMQGXAIKW-JKSUJKDBSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230872 246067128 /nfs/dbraw/zinc/06/71/28/246067128.db2.gz JCHMVQMRFICFNV-OAGGEKHMSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230872 246067131 /nfs/dbraw/zinc/06/71/31/246067131.db2.gz JCHMVQMRFICFNV-OAGGEKHMSA-N 2 1 358.486 0.745 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000419210451 246057458 /nfs/dbraw/zinc/05/74/58/246057458.db2.gz QXIXVECDKGTATH-HNNXBMFYSA-N 2 1 364.412 0.589 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000419210451 246057461 /nfs/dbraw/zinc/05/74/61/246057461.db2.gz QXIXVECDKGTATH-HNNXBMFYSA-N 2 1 364.412 0.589 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214268 246058276 /nfs/dbraw/zinc/05/82/76/246058276.db2.gz XIYYUSLNTDJZPF-NEPJUHHUSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214268 246058281 /nfs/dbraw/zinc/05/82/81/246058281.db2.gz XIYYUSLNTDJZPF-NEPJUHHUSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213452 246059520 /nfs/dbraw/zinc/05/95/20/246059520.db2.gz WKMGUPIKXMUNMR-QWHCGFSZSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213452 246059526 /nfs/dbraw/zinc/05/95/26/246059526.db2.gz WKMGUPIKXMUNMR-QWHCGFSZSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214272 246059767 /nfs/dbraw/zinc/05/97/67/246059767.db2.gz XIYYUSLNTDJZPF-VXGBXAGGSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214272 246059771 /nfs/dbraw/zinc/05/97/71/246059771.db2.gz XIYYUSLNTDJZPF-VXGBXAGGSA-N 2 1 352.401 0.573 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225810 246063905 /nfs/dbraw/zinc/06/39/05/246063905.db2.gz CTMMOTXSPWMGFB-GXTWGEPZSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225810 246063910 /nfs/dbraw/zinc/06/39/10/246063910.db2.gz CTMMOTXSPWMGFB-GXTWGEPZSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419225456 246065502 /nfs/dbraw/zinc/06/55/02/246065502.db2.gz HBQNBHJRRBVQDW-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000419228251 246066966 /nfs/dbraw/zinc/06/69/66/246066966.db2.gz GQVJFORVYCHIDJ-GRTSSRMGSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000419228251 246066972 /nfs/dbraw/zinc/06/69/72/246066972.db2.gz GQVJFORVYCHIDJ-GRTSSRMGSA-N 2 1 364.515 0.997 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)CCC(F)(F)F ZINC000419206369 246053190 /nfs/dbraw/zinc/05/31/90/246053190.db2.gz KNABZZSWACOPGN-UHFFFAOYSA-N 2 1 366.428 0.835 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)CCC(F)(F)F ZINC000419206369 246053195 /nfs/dbraw/zinc/05/31/95/246053195.db2.gz KNABZZSWACOPGN-UHFFFAOYSA-N 2 1 366.428 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419208013 246054994 /nfs/dbraw/zinc/05/49/94/246054994.db2.gz NQIDMTZBPZGVAI-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419233341 246070161 /nfs/dbraw/zinc/07/01/61/246070161.db2.gz LJMPKEBQOKIIFO-NFAWXSAZSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419233341 246070166 /nfs/dbraw/zinc/07/01/66/246070166.db2.gz LJMPKEBQOKIIFO-NFAWXSAZSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419250614 246075993 /nfs/dbraw/zinc/07/59/93/246075993.db2.gz ZICCQEITVZBKIS-FOIQADDNSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419250614 246075997 /nfs/dbraw/zinc/07/59/97/246075997.db2.gz ZICCQEITVZBKIS-FOIQADDNSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000419247991 246076652 /nfs/dbraw/zinc/07/66/52/246076652.db2.gz XSGSNCJKHQSZHA-YUELXQCFSA-N 2 1 362.499 0.289 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000419247991 246076659 /nfs/dbraw/zinc/07/66/59/246076659.db2.gz XSGSNCJKHQSZHA-YUELXQCFSA-N 2 1 362.499 0.289 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419246440 246077395 /nfs/dbraw/zinc/07/73/95/246077395.db2.gz WNQWPUZONZUWEO-NNGSBXSVSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419246440 246077399 /nfs/dbraw/zinc/07/73/99/246077399.db2.gz WNQWPUZONZUWEO-NNGSBXSVSA-N 2 1 358.486 0.936 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419268145 246080461 /nfs/dbraw/zinc/08/04/61/246080461.db2.gz LUPHLMSRGMEKSN-SFHVURJKSA-N 2 1 374.485 0.475 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)[nH+]c1 ZINC000419303314 246090252 /nfs/dbraw/zinc/09/02/52/246090252.db2.gz RQHUCZNCFSKFHY-GDBMZVCRSA-N 2 1 359.474 0.732 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419412475 246146251 /nfs/dbraw/zinc/14/62/51/246146251.db2.gz CIIGRHGTACGZJI-TWMKSMIVSA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419416555 246150390 /nfs/dbraw/zinc/15/03/90/246150390.db2.gz WIJJIOXEHACVAX-DLBZAZTESA-N 2 1 368.522 0.722 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419396011 246133118 /nfs/dbraw/zinc/13/31/18/246133118.db2.gz RUHUHLXQUWZANP-RHSMWYFYSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419396011 246133124 /nfs/dbraw/zinc/13/31/24/246133124.db2.gz RUHUHLXQUWZANP-RHSMWYFYSA-N 2 1 374.485 0.390 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000419399496 246133769 /nfs/dbraw/zinc/13/37/69/246133769.db2.gz ZBLXRJRNCDATCD-HNNXBMFYSA-N 2 1 360.502 0.911 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419403207 246137442 /nfs/dbraw/zinc/13/74/42/246137442.db2.gz CWZCNESUCIYPRL-ROUUACIJSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419407949 246140877 /nfs/dbraw/zinc/14/08/77/246140877.db2.gz LALSANCJYGWWLP-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409507 246141548 /nfs/dbraw/zinc/14/15/48/246141548.db2.gz FDAUSJPMFZWNLA-SQNIBIBYSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409507 246141549 /nfs/dbraw/zinc/14/15/49/246141549.db2.gz FDAUSJPMFZWNLA-SQNIBIBYSA-N 2 1 374.485 0.260 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419411927 246144369 /nfs/dbraw/zinc/14/43/69/246144369.db2.gz CDMUDLCLSWDKLB-RBUKOAKNSA-N 2 1 370.497 0.619 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000419421142 246154961 /nfs/dbraw/zinc/15/49/61/246154961.db2.gz LGUWKFIZEUCPGR-IYBDPMFKSA-N 2 1 358.486 0.760 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419424426 246157033 /nfs/dbraw/zinc/15/70/33/246157033.db2.gz OAAQIZBNLYOBBX-MRXNPFEDSA-N 2 1 358.486 0.667 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000419433964 246161316 /nfs/dbraw/zinc/16/13/16/246161316.db2.gz ZUIVLPBKBWLYDI-QGZVFWFLSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419450102 246169364 /nfs/dbraw/zinc/16/93/64/246169364.db2.gz LCFMYGIYGPOUEU-IRXDYDNUSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419451312 246169574 /nfs/dbraw/zinc/16/95/74/246169574.db2.gz NDGQGWYLSCNPPL-INIZCTEOSA-N 2 1 361.490 0.168 20 0 FCADMP [NH3+]C1CCC(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000419419332 246152136 /nfs/dbraw/zinc/15/21/36/246152136.db2.gz JGOIITWRSIFMKZ-UHFFFAOYSA-N 2 1 358.486 0.937 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccsc1 ZINC000419419062 246152186 /nfs/dbraw/zinc/15/21/86/246152186.db2.gz YUKLXMCWDPPVFI-CQSZACIVSA-N 2 1 352.504 0.973 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419510045 246186177 /nfs/dbraw/zinc/18/61/77/246186177.db2.gz GLLWXLMRBMRDSR-HUUCEWRRSA-N 2 1 364.446 0.027 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419517782 246187566 /nfs/dbraw/zinc/18/75/66/246187566.db2.gz XFLCCTNIAKZAIV-ZFWWWQNUSA-N 2 1 350.463 0.813 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000419513784 246188266 /nfs/dbraw/zinc/18/82/66/246188266.db2.gz NAYRUFUUICGBTG-JKSUJKDBSA-N 2 1 362.474 0.909 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419530603 246191765 /nfs/dbraw/zinc/19/17/65/246191765.db2.gz JLEKPCSVOZQABT-OWLYRPNTSA-N 2 1 356.470 0.301 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1CC1 ZINC000419528066 246192297 /nfs/dbraw/zinc/19/22/97/246192297.db2.gz VYTMGPZDMYFVAF-DOTOQJQBSA-N 2 1 362.449 0.679 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419530359 246192663 /nfs/dbraw/zinc/19/26/63/246192663.db2.gz ZCAQLUFECJGZSH-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451851 246171656 /nfs/dbraw/zinc/17/16/56/246171656.db2.gz NZWZGZPCFZUYLT-HZPDHXFCSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470495 246174209 /nfs/dbraw/zinc/17/42/09/246174209.db2.gz FLRXDFROEZVNAS-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419475489 246176728 /nfs/dbraw/zinc/17/67/28/246176728.db2.gz DVFJTKCHJRRSRK-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419477001 246177192 /nfs/dbraw/zinc/17/71/92/246177192.db2.gz HDHBKQGANRGUPH-BBWFWOEESA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419561749 246201531 /nfs/dbraw/zinc/20/15/31/246201531.db2.gz UCYAEQDDFROWFU-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000419650362 246231707 /nfs/dbraw/zinc/23/17/07/246231707.db2.gz CVDMDZNQPPPXCI-NQYYFHDYSA-N 2 1 370.497 0.976 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419699265 246257305 /nfs/dbraw/zinc/25/73/05/246257305.db2.gz VZBOOSAOTZORCE-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419698939 246257367 /nfs/dbraw/zinc/25/73/67/246257367.db2.gz UQUPMBHWLRLCBS-WMZOPIPTSA-N 2 1 371.485 0.688 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419698939 246257371 /nfs/dbraw/zinc/25/73/71/246257371.db2.gz UQUPMBHWLRLCBS-WMZOPIPTSA-N 2 1 371.485 0.688 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000419709935 246263793 /nfs/dbraw/zinc/26/37/93/246263793.db2.gz PMMRHOQEJBCWSF-NXHRZFHOSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000419709264 246264230 /nfs/dbraw/zinc/26/42/30/246264230.db2.gz OPVJFHFAAKYGGK-GXTWGEPZSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000419709264 246264233 /nfs/dbraw/zinc/26/42/33/246264233.db2.gz OPVJFHFAAKYGGK-GXTWGEPZSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419768660 246290496 /nfs/dbraw/zinc/29/04/96/246290496.db2.gz DACMQGRNUVCVIX-BFHYXJOUSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000419766910 246291434 /nfs/dbraw/zinc/29/14/34/246291434.db2.gz ZMEVKWAAOBOXNC-GDBMZVCRSA-N 2 1 364.465 0.817 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419771518 246291663 /nfs/dbraw/zinc/29/16/63/246291663.db2.gz XSOHOMBHNVKKCX-QZTJIDSGSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419773586 246294246 /nfs/dbraw/zinc/29/42/46/246294246.db2.gz ZSDNZLLOEBSJGD-QZTJIDSGSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000419800477 246299452 /nfs/dbraw/zinc/29/94/52/246299452.db2.gz AIJSVPQRROTRCJ-JKSUJKDBSA-N 2 1 362.474 0.991 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000419809114 246303968 /nfs/dbraw/zinc/30/39/68/246303968.db2.gz HJFMWYFYKHQYOY-HUUCEWRRSA-N 2 1 364.446 0.109 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419845923 246317994 /nfs/dbraw/zinc/31/79/94/246317994.db2.gz QTJXBBNORWQXIP-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419845923 246318001 /nfs/dbraw/zinc/31/80/01/246318001.db2.gz QTJXBBNORWQXIP-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850382 246320438 /nfs/dbraw/zinc/32/04/38/246320438.db2.gz LHXBQARYLGKHHI-HOTGVXAUSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850382 246320441 /nfs/dbraw/zinc/32/04/41/246320441.db2.gz LHXBQARYLGKHHI-HOTGVXAUSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419865907 246335432 /nfs/dbraw/zinc/33/54/32/246335432.db2.gz BOJKFZRQICKRHR-QLFBSQMISA-N 2 1 352.479 0.084 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419886117 246350089 /nfs/dbraw/zinc/35/00/89/246350089.db2.gz KLPGHMQPOJISRO-CVEARBPZSA-N 2 1 359.474 0.543 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419889173 246351791 /nfs/dbraw/zinc/35/17/91/246351791.db2.gz GSZRCENDAOPTBM-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419886707 246352783 /nfs/dbraw/zinc/35/27/83/246352783.db2.gz CKCYCXKFZCNNAU-QGZVFWFLSA-N 2 1 374.485 0.598 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419886707 246352787 /nfs/dbraw/zinc/35/27/87/246352787.db2.gz CKCYCXKFZCNNAU-QGZVFWFLSA-N 2 1 374.485 0.598 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419893937 246355859 /nfs/dbraw/zinc/35/58/59/246355859.db2.gz MZTPJFBHEOWQSS-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000419906103 246362603 /nfs/dbraw/zinc/36/26/03/246362603.db2.gz YPKXCOIEESNPAA-QGZVFWFLSA-N 2 1 350.507 0.969 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419963490 246390527 /nfs/dbraw/zinc/39/05/27/246390527.db2.gz ZBZJGEDYGNQUNG-YHUYYLMFSA-N 2 1 354.495 0.058 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420111950 246472874 /nfs/dbraw/zinc/47/28/74/246472874.db2.gz XFNUQVYYVHGLLN-VQIMIIECSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420111950 246472879 /nfs/dbraw/zinc/47/28/79/246472879.db2.gz XFNUQVYYVHGLLN-VQIMIIECSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@@H+]1C ZINC000423370460 247014388 /nfs/dbraw/zinc/01/43/88/247014388.db2.gz DMJOZNGNAOKXSJ-MRXNPFEDSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@H+]1C ZINC000423370460 247014392 /nfs/dbraw/zinc/01/43/92/247014392.db2.gz DMJOZNGNAOKXSJ-MRXNPFEDSA-N 2 1 354.495 0.141 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423543002 247045889 /nfs/dbraw/zinc/04/58/89/247045889.db2.gz UMFUVDGQBISNGU-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423543002 247045894 /nfs/dbraw/zinc/04/58/94/247045894.db2.gz UMFUVDGQBISNGU-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000423421704 247024326 /nfs/dbraw/zinc/02/43/26/247024326.db2.gz KCIABQHHELPCNP-LPHOPBHVSA-N 2 1 361.490 0.334 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423437752 247026819 /nfs/dbraw/zinc/02/68/19/247026819.db2.gz GPPWCSXOYZXXMN-BPQIPLTHSA-N 2 1 358.486 0.740 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423438656 247027254 /nfs/dbraw/zinc/02/72/54/247027254.db2.gz HCWNMWUWLHZBSZ-FJIDUMEYSA-N 2 1 362.518 0.763 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423453496 247028860 /nfs/dbraw/zinc/02/88/60/247028860.db2.gz XSPGMLWOGNFXDL-GJZGRUSLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000423450754 247030352 /nfs/dbraw/zinc/03/03/52/247030352.db2.gz UECIUZOLSLJQBQ-JKSUJKDBSA-N 2 1 368.522 0.247 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423471407 247032390 /nfs/dbraw/zinc/03/23/90/247032390.db2.gz WXFDWOSWGYFXNV-AEFFLSMTSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423682598 247109255 /nfs/dbraw/zinc/10/92/55/247109255.db2.gz GOPHRSRPRMOPEM-RYQLBKOJSA-N 2 1 358.486 0.882 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624810 247081546 /nfs/dbraw/zinc/08/15/46/247081546.db2.gz DQHMBSKYCNYVHZ-WIYYLYMNSA-N 2 1 370.497 0.918 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423624104 247081643 /nfs/dbraw/zinc/08/16/43/247081643.db2.gz BEFQBAJIYZGRDC-AEFFLSMTSA-N 2 1 358.486 0.569 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423632126 247086406 /nfs/dbraw/zinc/08/64/06/247086406.db2.gz NSIZMXRYFPJFFL-IPMKNSEASA-N 2 1 370.497 0.774 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000423642989 247087279 /nfs/dbraw/zinc/08/72/79/247087279.db2.gz CHDJRVFZFQDAPB-LJQANCHMSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000423642989 247087283 /nfs/dbraw/zinc/08/72/83/247087283.db2.gz CHDJRVFZFQDAPB-LJQANCHMSA-N 2 1 372.513 0.830 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640288 247087792 /nfs/dbraw/zinc/08/77/92/247087792.db2.gz WDEBKBAOKYPEGF-YLJYHZDGSA-N 2 1 356.470 0.671 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423646499 247090808 /nfs/dbraw/zinc/09/08/08/247090808.db2.gz UQWOPSKOTZCYFS-RYQLBKOJSA-N 2 1 356.470 0.397 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423656451 247097720 /nfs/dbraw/zinc/09/77/20/247097720.db2.gz UHGLZOUDZBKFRU-NJAFHUGGSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423656451 247097724 /nfs/dbraw/zinc/09/77/24/247097724.db2.gz UHGLZOUDZBKFRU-NJAFHUGGSA-N 2 1 358.486 0.567 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000423926463 247153032 /nfs/dbraw/zinc/15/30/32/247153032.db2.gz PIUWVGXFEXRWRW-GDZNZVCISA-N 2 1 350.442 0.575 20 0 FCADMP [NH3+]C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000423972388 247155425 /nfs/dbraw/zinc/15/54/25/247155425.db2.gz ZNHBNQGWPQLBSY-IAGOWNOFSA-N 2 1 366.506 0.333 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000423995791 247157500 /nfs/dbraw/zinc/15/75/00/247157500.db2.gz FNRMXCSFMMRYKE-SFHVURJKSA-N 2 1 362.474 0.630 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000423995791 247157503 /nfs/dbraw/zinc/15/75/03/247157503.db2.gz FNRMXCSFMMRYKE-SFHVURJKSA-N 2 1 362.474 0.630 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423742061 247134579 /nfs/dbraw/zinc/13/45/79/247134579.db2.gz UDCRXPPDSOQPIM-YTQUADARSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423742061 247134584 /nfs/dbraw/zinc/13/45/84/247134584.db2.gz UDCRXPPDSOQPIM-YTQUADARSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC[NH2+]CC2 ZINC000424285088 247196388 /nfs/dbraw/zinc/19/63/88/247196388.db2.gz FBXVFFUUDFIOSK-CYBMUJFWSA-N 2 1 366.487 0.737 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424125504 247170106 /nfs/dbraw/zinc/17/01/06/247170106.db2.gz ACOFNFGYHFDEKP-KRWDZBQOSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424125504 247170110 /nfs/dbraw/zinc/17/01/10/247170110.db2.gz ACOFNFGYHFDEKP-KRWDZBQOSA-N 2 1 354.458 0.991 20 0 FCADMP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000424141807 247171316 /nfs/dbraw/zinc/17/13/16/247171316.db2.gz XMBWIBJBSFQGLK-GXTWGEPZSA-N 2 1 350.394 0.772 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424162538 247174354 /nfs/dbraw/zinc/17/43/54/247174354.db2.gz XCHATEYHVKXWNK-MRXNPFEDSA-N 2 1 362.522 0.880 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)CC[NH2+]CC2 ZINC000424505029 247242904 /nfs/dbraw/zinc/24/29/04/247242904.db2.gz KLPAUGNMBVQTOJ-CYBMUJFWSA-N 2 1 362.478 0.093 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424541165 247257951 /nfs/dbraw/zinc/25/79/51/247257951.db2.gz HFXASBXLATYESB-OKZBNKHCSA-N 2 1 358.486 0.819 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425382275 247327436 /nfs/dbraw/zinc/32/74/36/247327436.db2.gz HIQNXMYJSALFTB-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000425398056 247334822 /nfs/dbraw/zinc/33/48/22/247334822.db2.gz HPTLRSBNKOMPHG-MRXNPFEDSA-N 2 1 368.522 0.497 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000425398056 247334827 /nfs/dbraw/zinc/33/48/27/247334827.db2.gz HPTLRSBNKOMPHG-MRXNPFEDSA-N 2 1 368.522 0.497 20 0 FCADMP Cc1csc2nc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000436068073 248030868 /nfs/dbraw/zinc/03/08/68/248030868.db2.gz VKMWJBKYGKPSJP-CQSZACIVSA-N 2 1 363.487 0.884 20 0 FCADMP Cc1csc2nc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000436068073 248030871 /nfs/dbraw/zinc/03/08/71/248030871.db2.gz VKMWJBKYGKPSJP-CQSZACIVSA-N 2 1 363.487 0.884 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000436062269 248030962 /nfs/dbraw/zinc/03/09/62/248030962.db2.gz VPXXHOXLVJLVLZ-OAHLLOKOSA-N 2 1 364.515 0.952 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000436062269 248030967 /nfs/dbraw/zinc/03/09/67/248030967.db2.gz VPXXHOXLVJLVLZ-OAHLLOKOSA-N 2 1 364.515 0.952 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000439202412 248113880 /nfs/dbraw/zinc/11/38/80/248113880.db2.gz FSRKGZRWGNSBTM-CVEARBPZSA-N 2 1 354.495 0.236 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NCC(C)(C)N2CCOCC2)CC1(C)C ZINC000440984178 248229840 /nfs/dbraw/zinc/22/98/40/248229840.db2.gz IKZWIIMCYAURLJ-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442607158 248293490 /nfs/dbraw/zinc/29/34/90/248293490.db2.gz GYRHNZMGKBOHCZ-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@](C)=O)CC1 ZINC000442714273 248293700 /nfs/dbraw/zinc/29/37/00/248293700.db2.gz JOGZYJDIBUAZLT-MYYSRTQBSA-N 2 1 358.552 0.955 20 0 FCADMP C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+]1CCSCC1 ZINC000442649382 248294154 /nfs/dbraw/zinc/29/41/54/248294154.db2.gz OAKQSDJURPPSTN-CQSZACIVSA-N 2 1 356.536 0.340 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773677 248297680 /nfs/dbraw/zinc/29/76/80/248297680.db2.gz XUEOZAUXMXJTOZ-XDQVBPFNSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773677 248297681 /nfs/dbraw/zinc/29/76/81/248297681.db2.gz XUEOZAUXMXJTOZ-XDQVBPFNSA-N 2 1 368.503 0.569 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443072479 248306045 /nfs/dbraw/zinc/30/60/45/248306045.db2.gz NNTPSEWKUUFCQM-OAHLLOKOSA-N 2 1 368.503 0.054 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630471 248333682 /nfs/dbraw/zinc/33/36/82/248333682.db2.gz JXCCLMQOVTVXTC-RDJZCZTQSA-N 2 1 367.538 0.911 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867586 248378147 /nfs/dbraw/zinc/37/81/47/248378147.db2.gz WURACDWFLCCETA-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(C)(C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000452566568 249323048 /nfs/dbraw/zinc/32/30/48/249323048.db2.gz XWFUVODJJRCBTI-LVQVYYBASA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000452566568 249323053 /nfs/dbraw/zinc/32/30/53/249323053.db2.gz XWFUVODJJRCBTI-LVQVYYBASA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000452566568 249323056 /nfs/dbraw/zinc/32/30/56/249323056.db2.gz XWFUVODJJRCBTI-LVQVYYBASA-N 2 1 352.523 0.783 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270710399 211251215 /nfs/dbraw/zinc/25/12/15/211251215.db2.gz LCNMUKVPOJLEAL-UHFFFAOYSA-N 2 1 367.494 0.790 20 0 FCADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007384 250020762 /nfs/dbraw/zinc/02/07/62/250020762.db2.gz BJGPXUFQWVZRQI-GOEBONIOSA-N 2 1 363.458 0.914 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)CC1 ZINC000473405782 250227070 /nfs/dbraw/zinc/22/70/70/250227070.db2.gz GSIXGBUYIRGSTB-UHFFFAOYSA-N 2 1 359.474 0.589 20 0 FCADMP CCN(C)C(=O)[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000473924772 250257909 /nfs/dbraw/zinc/25/79/09/250257909.db2.gz WGYAPLGSRSWSNU-HZPDHXFCSA-N 2 1 355.527 0.911 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CC[NH+](C)CC1 ZINC000481018328 250309210 /nfs/dbraw/zinc/30/92/10/250309210.db2.gz DPZINDSRKNULCE-AEFFLSMTSA-N 2 1 371.595 0.995 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111214 250315391 /nfs/dbraw/zinc/31/53/91/250315391.db2.gz XZDXBROUFSXTIJ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111214 250315395 /nfs/dbraw/zinc/31/53/95/250315395.db2.gz XZDXBROUFSXTIJ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481700373 250350398 /nfs/dbraw/zinc/35/03/98/250350398.db2.gz ZBFNMTFLAHBVRB-FUHWJXTLSA-N 2 1 371.595 0.997 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746257 250351385 /nfs/dbraw/zinc/35/13/85/250351385.db2.gz VBVXPJYKVDFDIF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746257 250351388 /nfs/dbraw/zinc/35/13/88/250351388.db2.gz VBVXPJYKVDFDIF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739680 250351619 /nfs/dbraw/zinc/35/16/19/250351619.db2.gz IVIPRSXRBVOZNV-LSDHHAIUSA-N 2 1 356.536 0.388 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739680 250351622 /nfs/dbraw/zinc/35/16/22/250351622.db2.gz IVIPRSXRBVOZNV-LSDHHAIUSA-N 2 1 356.536 0.388 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000481769146 250356108 /nfs/dbraw/zinc/35/61/08/250356108.db2.gz JXEAWZZQOFUZIJ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000481769146 250356111 /nfs/dbraw/zinc/35/61/11/250356111.db2.gz JXEAWZZQOFUZIJ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000481769144 250356379 /nfs/dbraw/zinc/35/63/79/250356379.db2.gz JXEAWZZQOFUZIJ-GVDBMIGSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000481769144 250356381 /nfs/dbraw/zinc/35/63/81/250356381.db2.gz JXEAWZZQOFUZIJ-GVDBMIGSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000481804351 250361197 /nfs/dbraw/zinc/36/11/97/250361197.db2.gz DYGWZEYIVWARJT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000481804351 250361198 /nfs/dbraw/zinc/36/11/98/250361198.db2.gz DYGWZEYIVWARJT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000481804351 250361202 /nfs/dbraw/zinc/36/12/02/250361202.db2.gz DYGWZEYIVWARJT-PNBKFKSVSA-N 2 1 350.507 0.822 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481858550 250368197 /nfs/dbraw/zinc/36/81/97/250368197.db2.gz VQWDNIDUNQYJMX-HOTGVXAUSA-N 2 1 356.511 0.260 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000482530374 250392721 /nfs/dbraw/zinc/39/27/21/250392721.db2.gz LGQUUHHKCHEUHF-NEPJUHHUSA-N 2 1 360.505 0.652 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000482530374 250392723 /nfs/dbraw/zinc/39/27/23/250392723.db2.gz LGQUUHHKCHEUHF-NEPJUHHUSA-N 2 1 360.505 0.652 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269675414 211040121 /nfs/dbraw/zinc/04/01/21/211040121.db2.gz HDLJWKARNQYBRR-KRWDZBQOSA-N 2 1 362.474 0.377 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589195 211017064 /nfs/dbraw/zinc/01/70/64/211017064.db2.gz BXLUGJPNPIZYJZ-OLZOCXBDSA-N 2 1 358.364 0.599 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589195 211017068 /nfs/dbraw/zinc/01/70/68/211017068.db2.gz BXLUGJPNPIZYJZ-OLZOCXBDSA-N 2 1 358.364 0.599 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413111559 532993932 /nfs/dbraw/zinc/99/39/32/532993932.db2.gz UGXCRVQSGTTZIY-ARFHVFGLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413111559 532993939 /nfs/dbraw/zinc/99/39/39/532993939.db2.gz UGXCRVQSGTTZIY-ARFHVFGLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413111559 532993944 /nfs/dbraw/zinc/99/39/44/532993944.db2.gz UGXCRVQSGTTZIY-ARFHVFGLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC[N@@H+](C)C1 ZINC000413456980 532998116 /nfs/dbraw/zinc/99/81/16/532998116.db2.gz KTDCJEXGYVCONY-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000069504674 208032426 /nfs/dbraw/zinc/03/24/26/208032426.db2.gz GAWGQPISFQRWLC-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069441043 208032546 /nfs/dbraw/zinc/03/25/46/208032546.db2.gz TYXHCAWWOQCEDO-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069441043 208032550 /nfs/dbraw/zinc/03/25/50/208032550.db2.gz TYXHCAWWOQCEDO-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000069506452 208033134 /nfs/dbraw/zinc/03/31/34/208033134.db2.gz IGDFYFVQCNBRRI-MRXNPFEDSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000069506452 208033141 /nfs/dbraw/zinc/03/31/41/208033141.db2.gz IGDFYFVQCNBRRI-MRXNPFEDSA-N 2 1 365.522 0.855 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000075889343 208062260 /nfs/dbraw/zinc/06/22/60/208062260.db2.gz QMSVQAGCTHWWPG-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000077817562 208078543 /nfs/dbraw/zinc/07/85/43/208078543.db2.gz VQFRSTDLUWFDEZ-QGZVFWFLSA-N 2 1 374.485 0.568 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000077817562 208078548 /nfs/dbraw/zinc/07/85/48/208078548.db2.gz VQFRSTDLUWFDEZ-QGZVFWFLSA-N 2 1 374.485 0.568 20 0 FCADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCNC(=O)C1 ZINC000092821633 208147760 /nfs/dbraw/zinc/14/77/60/208147760.db2.gz RQMFJTDVGLJOPH-UHFFFAOYSA-N 2 1 359.474 0.578 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000114171456 208309604 /nfs/dbraw/zinc/30/96/04/208309604.db2.gz UKAIJNKYKALNHF-CQSZACIVSA-N 2 1 356.430 0.924 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931875716 674149472 /nfs/dbraw/zinc/14/94/72/674149472.db2.gz CXOYRSCMVXNCNH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931875716 674149474 /nfs/dbraw/zinc/14/94/74/674149474.db2.gz CXOYRSCMVXNCNH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931875716 674149476 /nfs/dbraw/zinc/14/94/76/674149476.db2.gz CXOYRSCMVXNCNH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931875716 674149478 /nfs/dbraw/zinc/14/94/78/674149478.db2.gz CXOYRSCMVXNCNH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C2)CC1 ZINC000931878204 674149974 /nfs/dbraw/zinc/14/99/74/674149974.db2.gz BVHYBPAVSIWQRG-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)C2)CC1 ZINC000931878204 674149976 /nfs/dbraw/zinc/14/99/76/674149976.db2.gz BVHYBPAVSIWQRG-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176641138 209009086 /nfs/dbraw/zinc/00/90/86/209009086.db2.gz TXPFWFIELIUENH-AWEZNQCLSA-N 2 1 365.478 0.936 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177930516 209039807 /nfs/dbraw/zinc/03/98/07/209039807.db2.gz QLUBEEWJKWLJEC-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)[C@H]1CC[NH2+]C1 ZINC000178890659 209063601 /nfs/dbraw/zinc/06/36/01/209063601.db2.gz KAHNFBLAPBJNHT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP COC1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC000178856046 209064032 /nfs/dbraw/zinc/06/40/32/209064032.db2.gz RZBDEYQLOQLANB-UHFFFAOYSA-N 2 1 374.485 0.710 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413150819 533478903 /nfs/dbraw/zinc/47/89/03/533478903.db2.gz VWBOPAUUJSQZPG-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+](C)C1 ZINC000413483316 533479803 /nfs/dbraw/zinc/47/98/03/533479803.db2.gz AAPNEKUQEGLKGE-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483316 533479813 /nfs/dbraw/zinc/47/98/13/533479813.db2.gz AAPNEKUQEGLKGE-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483316 533479816 /nfs/dbraw/zinc/47/98/16/533479816.db2.gz AAPNEKUQEGLKGE-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@]1(C)CCC[NH+](CC(O)C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412074515 533587049 /nfs/dbraw/zinc/58/70/49/533587049.db2.gz RCFAXHIMIOOBRC-RTBURBONSA-N 2 1 370.490 0.898 20 0 FCADMP COC(=O)[C@]1(C)CCC[NH+](CC(O)C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412074515 533587057 /nfs/dbraw/zinc/58/70/57/533587057.db2.gz RCFAXHIMIOOBRC-RTBURBONSA-N 2 1 370.490 0.898 20 0 FCADMP C(C[NH+]1CC[C@@H](C2OCCO2)C1)OCC[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932002891 674161168 /nfs/dbraw/zinc/16/11/68/674161168.db2.gz KMSHQXLHSDRJLM-HZPDHXFCSA-N 2 1 356.463 0.393 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410441123 230080840 /nfs/dbraw/zinc/08/08/40/230080840.db2.gz XZYIXYOZFAHOFP-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410479385 230097775 /nfs/dbraw/zinc/09/77/75/230097775.db2.gz UAAJZYIUMQQXEX-RDJZCZTQSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000287565809 488881964 /nfs/dbraw/zinc/88/19/64/488881964.db2.gz UQVOCQYDSSSAGE-MRXNPFEDSA-N 2 1 360.502 0.794 20 0 FCADMP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363833076 488890454 /nfs/dbraw/zinc/89/04/54/488890454.db2.gz WXGUEOMVACJCDB-KBAYOESNSA-N 2 1 368.522 0.990 20 0 FCADMP O=C(CC[N@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000363835699 488890728 /nfs/dbraw/zinc/89/07/28/488890728.db2.gz WLRGYKIAPHSRFP-HNNXBMFYSA-N 2 1 359.430 0.257 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000562803662 491190223 /nfs/dbraw/zinc/19/02/23/491190223.db2.gz DAMPAUWRVGNKIT-YTQUADARSA-N 2 1 359.518 0.925 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000364177177 488930665 /nfs/dbraw/zinc/93/06/65/488930665.db2.gz YPPVWIBPCGWUIV-ZACQAIPSSA-N 2 1 365.522 0.317 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1C1CC1 ZINC000364177177 488930669 /nfs/dbraw/zinc/93/06/69/488930669.db2.gz YPPVWIBPCGWUIV-ZACQAIPSSA-N 2 1 365.522 0.317 20 0 FCADMP Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000328758119 488935687 /nfs/dbraw/zinc/93/56/87/488935687.db2.gz VQCKNOCFYUPXEI-GJZGRUSLSA-N 2 1 368.457 0.391 20 0 FCADMP Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000328758119 488935691 /nfs/dbraw/zinc/93/56/91/488935691.db2.gz VQCKNOCFYUPXEI-GJZGRUSLSA-N 2 1 368.457 0.391 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000288062197 488939060 /nfs/dbraw/zinc/93/90/60/488939060.db2.gz SYHZFFHJAMREDE-UHFFFAOYSA-N 2 1 365.478 0.315 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCCn2ccnc2)CCCO1 ZINC000288207116 488956248 /nfs/dbraw/zinc/95/62/48/488956248.db2.gz UDFXPQFGQFILSX-INIZCTEOSA-N 2 1 365.478 0.349 20 0 FCADMP CC1CC[NH+](CC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000051209562 488128231 /nfs/dbraw/zinc/12/82/31/488128231.db2.gz RDHSPVJNXPLDDH-UHFFFAOYSA-N 2 1 360.506 0.837 20 0 FCADMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@@H+]3CC=CCC3)cn2)CC1 ZINC000279754082 488966417 /nfs/dbraw/zinc/96/64/17/488966417.db2.gz YHRIAVJRRSFJGY-UHFFFAOYSA-N 2 1 358.490 0.895 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000562817268 491192012 /nfs/dbraw/zinc/19/20/12/491192012.db2.gz YGZUOSBSQFVANO-KRWDZBQOSA-N 2 1 365.522 0.700 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609284 488353350 /nfs/dbraw/zinc/35/33/50/488353350.db2.gz JJGRFPCVLZJVNK-QZTJIDSGSA-N 2 1 370.538 0.735 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069383612 488372117 /nfs/dbraw/zinc/37/21/17/488372117.db2.gz CYJWSINJWHUHRP-UHFFFAOYSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000069402249 488372254 /nfs/dbraw/zinc/37/22/54/488372254.db2.gz RPKGLGPDGBJILK-HOTGVXAUSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000069402249 488372255 /nfs/dbraw/zinc/37/22/55/488372255.db2.gz RPKGLGPDGBJILK-HOTGVXAUSA-N 2 1 367.538 0.959 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000069407841 488372262 /nfs/dbraw/zinc/37/22/62/488372262.db2.gz HUPUFJKMOPKCHT-HZPDHXFCSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000069407841 488372263 /nfs/dbraw/zinc/37/22/63/488372263.db2.gz HUPUFJKMOPKCHT-HZPDHXFCSA-N 2 1 351.495 0.465 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936754 488374727 /nfs/dbraw/zinc/37/47/27/488374727.db2.gz OHKWOXXTIUBXAB-KZNAEPCWSA-N 2 1 366.506 0.603 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000073534185 488384869 /nfs/dbraw/zinc/38/48/69/488384869.db2.gz QKLMEVLCSAMWKV-IBGZPJMESA-N 2 1 364.490 0.631 20 0 FCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000073651089 488385706 /nfs/dbraw/zinc/38/57/06/488385706.db2.gz KYHRRTHHZMILGZ-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000073651089 488385707 /nfs/dbraw/zinc/38/57/07/488385707.db2.gz KYHRRTHHZMILGZ-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073822226 488386523 /nfs/dbraw/zinc/38/65/23/488386523.db2.gz AJDKVOQJEZFXJE-APWZRJJASA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073822226 488386524 /nfs/dbraw/zinc/38/65/24/488386524.db2.gz AJDKVOQJEZFXJE-APWZRJJASA-N 2 1 370.538 0.879 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000074166909 488388574 /nfs/dbraw/zinc/38/85/74/488388574.db2.gz FZYVTXYUQWKONS-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000074166909 488388575 /nfs/dbraw/zinc/38/85/75/488388575.db2.gz FZYVTXYUQWKONS-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074193143 488388609 /nfs/dbraw/zinc/38/86/09/488388609.db2.gz YXSBFOCLIGJPBX-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345390 488390797 /nfs/dbraw/zinc/39/07/97/488390797.db2.gz WSHMTXPZPPJVAA-HOTGVXAUSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345390 488390799 /nfs/dbraw/zinc/39/07/99/488390799.db2.gz WSHMTXPZPPJVAA-HOTGVXAUSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345390 488390801 /nfs/dbraw/zinc/39/08/01/488390801.db2.gz WSHMTXPZPPJVAA-HOTGVXAUSA-N 2 1 353.511 0.555 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000074345142 488391170 /nfs/dbraw/zinc/39/11/70/488391170.db2.gz YOFYLORJKLLGOU-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000074372298 488391434 /nfs/dbraw/zinc/39/14/34/488391434.db2.gz PYAQXNHMGKKDSE-IRXDYDNUSA-N 2 1 356.511 0.707 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877876 488394472 /nfs/dbraw/zinc/39/44/72/488394472.db2.gz JJFYCEVCCZMPAG-AEFFLSMTSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184511084 488396724 /nfs/dbraw/zinc/39/67/24/488396724.db2.gz IQSWCCYCLXGLOD-FUHWJXTLSA-N 2 1 354.539 0.922 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)N1CCOCC1 ZINC000185297488 488400271 /nfs/dbraw/zinc/40/02/71/488400271.db2.gz JINVFRAWGYJKQQ-RCCFBDPRSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1)N1CCOCC1 ZINC000185297488 488400273 /nfs/dbraw/zinc/40/02/73/488400273.db2.gz JINVFRAWGYJKQQ-RCCFBDPRSA-N 2 1 370.538 0.830 20 0 FCADMP C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682511 488402468 /nfs/dbraw/zinc/40/24/68/488402468.db2.gz VBSIAQJDIYCZME-GJZGRUSLSA-N 2 1 369.535 0.941 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824725 491196007 /nfs/dbraw/zinc/19/60/07/491196007.db2.gz DSVWRCKKIJYPSY-SJORKVTESA-N 2 1 369.473 0.754 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193840091 488429892 /nfs/dbraw/zinc/42/98/92/488429892.db2.gz KRJWZTMBHMLMFR-UHFFFAOYSA-N 2 1 353.511 0.759 20 0 FCADMP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000079882906 488431877 /nfs/dbraw/zinc/43/18/77/488431877.db2.gz GJWXOJABYVLOHO-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000080674220 488436779 /nfs/dbraw/zinc/43/67/79/488436779.db2.gz DEKHEIHSLPEEOS-IAGOWNOFSA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000080674220 488436782 /nfs/dbraw/zinc/43/67/82/488436782.db2.gz DEKHEIHSLPEEOS-IAGOWNOFSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000245659568 488465382 /nfs/dbraw/zinc/46/53/82/488465382.db2.gz CYVYIJSQFWKZQZ-RYRKJORJSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000245659568 488465384 /nfs/dbraw/zinc/46/53/84/488465384.db2.gz CYVYIJSQFWKZQZ-RYRKJORJSA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000246868463 488477700 /nfs/dbraw/zinc/47/77/00/488477700.db2.gz CXGZOVJTSHTBDZ-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093125035 488478349 /nfs/dbraw/zinc/47/83/49/488478349.db2.gz XEJOIGOEEYYVML-GOSISDBHSA-N 2 1 360.506 0.843 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000269263484 488483962 /nfs/dbraw/zinc/48/39/62/488483962.db2.gz XKSZORJSNXESFA-SJORKVTESA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000269263484 488483963 /nfs/dbraw/zinc/48/39/63/488483963.db2.gz XKSZORJSNXESFA-SJORKVTESA-N 2 1 360.458 0.843 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272748 488485144 /nfs/dbraw/zinc/48/51/44/488485144.db2.gz UFMWRIKTTNZNAE-YJBOKZPZSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272748 488485147 /nfs/dbraw/zinc/48/51/47/488485147.db2.gz UFMWRIKTTNZNAE-YJBOKZPZSA-N 2 1 363.458 0.773 20 0 FCADMP CN(C(=O)COCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000247446413 488485709 /nfs/dbraw/zinc/48/57/09/488485709.db2.gz PVWUBWPNDUYJEI-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP O=C(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269307760 488489764 /nfs/dbraw/zinc/48/97/64/488489764.db2.gz UVYZJCDBMRQGJI-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000098034434 488493748 /nfs/dbraw/zinc/49/37/48/488493748.db2.gz KXNSFQFLRBPLHD-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000248399999 488495372 /nfs/dbraw/zinc/49/53/72/488495372.db2.gz PPJOKWHZWHCOAX-IGOJGBNBSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000248399999 488495375 /nfs/dbraw/zinc/49/53/75/488495375.db2.gz PPJOKWHZWHCOAX-IGOJGBNBSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000248483685 488497164 /nfs/dbraw/zinc/49/71/64/488497164.db2.gz CUIQGDJMXHUMGG-YZGWKJHDSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000248483685 488497166 /nfs/dbraw/zinc/49/71/66/488497166.db2.gz CUIQGDJMXHUMGG-YZGWKJHDSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248542523 488498191 /nfs/dbraw/zinc/49/81/91/488498191.db2.gz BYTZKGRFDWDVAH-QXSJWSMHSA-N 2 1 371.547 0.921 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248542523 488498194 /nfs/dbraw/zinc/49/81/94/488498194.db2.gz BYTZKGRFDWDVAH-QXSJWSMHSA-N 2 1 371.547 0.921 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104800943 488505706 /nfs/dbraw/zinc/50/57/06/488505706.db2.gz YFJZXFAVVZXXSL-MRXNPFEDSA-N 2 1 374.489 0.501 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CO)C[C@@H](O)c3ccccc3)cn2)CC1 ZINC000269916858 488514484 /nfs/dbraw/zinc/51/44/84/488514484.db2.gz JPVFFWQOANCCPO-RBUKOAKNSA-N 2 1 371.485 0.803 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)COC1CCOCC1 ZINC000563011634 491207879 /nfs/dbraw/zinc/20/78/79/491207879.db2.gz NFINADRONMZJMY-MOPGFXCFSA-N 2 1 364.486 0.899 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261646729 488528985 /nfs/dbraw/zinc/52/89/85/488528985.db2.gz ADDCTYMPVRBUTI-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261687028 488530992 /nfs/dbraw/zinc/53/09/92/488530992.db2.gz CYJRSVFWLVRKLS-CABCVRRESA-N 2 1 363.462 0.892 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261799758 488536720 /nfs/dbraw/zinc/53/67/20/488536720.db2.gz IUXHQWXIPRSERD-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881473 488540090 /nfs/dbraw/zinc/54/00/90/488540090.db2.gz PFFQCBZGWPIHTG-RHSMWYFYSA-N 2 1 362.518 0.871 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881473 488540091 /nfs/dbraw/zinc/54/00/91/488540091.db2.gz PFFQCBZGWPIHTG-RHSMWYFYSA-N 2 1 362.518 0.871 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916533 488541440 /nfs/dbraw/zinc/54/14/40/488541440.db2.gz UNOBSQHLCLXBCP-SJORKVTESA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916533 488541443 /nfs/dbraw/zinc/54/14/43/488541443.db2.gz UNOBSQHLCLXBCP-SJORKVTESA-N 2 1 359.474 0.278 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000117029429 488550125 /nfs/dbraw/zinc/55/01/25/488550125.db2.gz UUFCZKNZSVRPOG-DLBZAZTESA-N 2 1 356.511 0.705 20 0 FCADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262123266 488552074 /nfs/dbraw/zinc/55/20/74/488552074.db2.gz MKURNTXYMRSXNZ-QGZVFWFLSA-N 2 1 363.506 0.931 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000119133279 488555781 /nfs/dbraw/zinc/55/57/81/488555781.db2.gz QCVNMMKCGFNJMT-HTWSVDAQSA-N 2 1 356.511 0.489 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308183 488562967 /nfs/dbraw/zinc/56/29/67/488562967.db2.gz YMXHBDJTUREVLT-DLBZAZTESA-N 2 1 350.507 0.969 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262313532 488563527 /nfs/dbraw/zinc/56/35/27/488563527.db2.gz QQNQNCYTWDMVAE-INIZCTEOSA-N 2 1 360.458 0.830 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262313532 488563530 /nfs/dbraw/zinc/56/35/30/488563530.db2.gz QQNQNCYTWDMVAE-INIZCTEOSA-N 2 1 360.458 0.830 20 0 FCADMP COC[C@@H](N)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000262330085 488564188 /nfs/dbraw/zinc/56/41/88/488564188.db2.gz RMVBASUXAUBOKD-CQSZACIVSA-N 2 1 367.446 0.330 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000121468961 488568618 /nfs/dbraw/zinc/56/86/18/488568618.db2.gz FDMDLENVMCZXOC-UHFFFAOYSA-N 2 1 353.511 0.762 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262473951 488572019 /nfs/dbraw/zinc/57/20/19/488572019.db2.gz YQFJENWJKFQELC-FQEVSTJZSA-N 2 1 371.529 0.554 20 0 FCADMP COC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]CC1 ZINC000262649169 488584690 /nfs/dbraw/zinc/58/46/90/488584690.db2.gz KXLVKCDNKSUXST-MRXNPFEDSA-N 2 1 360.458 0.843 20 0 FCADMP COC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]CC1 ZINC000262649169 488584693 /nfs/dbraw/zinc/58/46/93/488584693.db2.gz KXLVKCDNKSUXST-MRXNPFEDSA-N 2 1 360.458 0.843 20 0 FCADMP C[C@@H]1C[C@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1C ZINC000123961390 488588988 /nfs/dbraw/zinc/58/89/88/488588988.db2.gz KARPJLGGQWKYEN-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H]1C[C@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1C ZINC000123961390 488588989 /nfs/dbraw/zinc/58/89/89/488588989.db2.gz KARPJLGGQWKYEN-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H]1C[C@H]([N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123961390 488588992 /nfs/dbraw/zinc/58/89/92/488588992.db2.gz KARPJLGGQWKYEN-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H]1C[C@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123961390 488588994 /nfs/dbraw/zinc/58/89/94/488588994.db2.gz KARPJLGGQWKYEN-ZIAGYGMSSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)CC1 ZINC000262791271 488593786 /nfs/dbraw/zinc/59/37/86/488593786.db2.gz ODKKTMPJFFIFMG-INIZCTEOSA-N 2 1 354.495 0.143 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1(C)C ZINC000262803267 488594613 /nfs/dbraw/zinc/59/46/13/488594613.db2.gz RQYJLXJHVUKVHU-FRQCXROJSA-N 2 1 354.539 0.909 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881851 488597733 /nfs/dbraw/zinc/59/77/33/488597733.db2.gz NOBKOCACKWUCBD-YOEHRIQHSA-N 2 1 351.447 0.758 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881851 488597735 /nfs/dbraw/zinc/59/77/35/488597735.db2.gz NOBKOCACKWUCBD-YOEHRIQHSA-N 2 1 351.447 0.758 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000272823842 488608539 /nfs/dbraw/zinc/60/85/39/488608539.db2.gz KLCGPYYGFZIDIU-PXNSSMCTSA-N 2 1 374.529 0.895 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000272823842 488608540 /nfs/dbraw/zinc/60/85/40/488608540.db2.gz KLCGPYYGFZIDIU-PXNSSMCTSA-N 2 1 374.529 0.895 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000263278415 488609034 /nfs/dbraw/zinc/60/90/34/488609034.db2.gz ZFQFWQWNJBOTNB-INIZCTEOSA-N 2 1 352.504 0.534 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000129994115 488635126 /nfs/dbraw/zinc/63/51/26/488635126.db2.gz GQINWHCVFXKMMW-GOSISDBHSA-N 2 1 364.494 0.674 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000132063266 488650476 /nfs/dbraw/zinc/65/04/76/488650476.db2.gz JIHWDWFVYMAEAS-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CC[NH+](C)CC1 ZINC000264255212 488658719 /nfs/dbraw/zinc/65/87/19/488658719.db2.gz GKUYASOACCINET-QGZVFWFLSA-N 2 1 374.529 0.895 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133533763 488660412 /nfs/dbraw/zinc/66/04/12/488660412.db2.gz JFVIPOKLNRFSBT-OAHLLOKOSA-N 2 1 364.494 0.764 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccs1 ZINC000264524612 488682513 /nfs/dbraw/zinc/68/25/13/488682513.db2.gz XCTDNBSRMGBXPT-ZIAGYGMSSA-N 2 1 367.519 0.990 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152395997 488717256 /nfs/dbraw/zinc/71/72/56/488717256.db2.gz JEDZPRJLKWTBNY-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152395997 488717258 /nfs/dbraw/zinc/71/72/58/488717258.db2.gz JEDZPRJLKWTBNY-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152395997 488717261 /nfs/dbraw/zinc/71/72/61/488717261.db2.gz JEDZPRJLKWTBNY-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP COCCCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274680603 488727014 /nfs/dbraw/zinc/72/70/14/488727014.db2.gz NUMMTSVHZRCYMD-UHFFFAOYSA-N 2 1 370.519 0.940 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000266782072 488729402 /nfs/dbraw/zinc/72/94/02/488729402.db2.gz TWIDSRUCKQXWRZ-GOSISDBHSA-N 2 1 360.502 0.548 20 0 FCADMP CCN(CC)C(=O)CN1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000153755671 488734660 /nfs/dbraw/zinc/73/46/60/488734660.db2.gz ZTFJEDVYXRUOFE-HNNXBMFYSA-N 2 1 356.536 0.436 20 0 FCADMP CCN(CC)C(=O)CN1CCN(C(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000153755671 488734662 /nfs/dbraw/zinc/73/46/62/488734662.db2.gz ZTFJEDVYXRUOFE-HNNXBMFYSA-N 2 1 356.536 0.436 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000156352029 488763994 /nfs/dbraw/zinc/76/39/94/488763994.db2.gz ZGPSMWMWLBLGFP-MSOLQXFVSA-N 2 1 368.522 0.728 20 0 FCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496491 488778362 /nfs/dbraw/zinc/77/83/62/488778362.db2.gz RANXCVXLQCOKET-MSOLQXFVSA-N 2 1 372.517 0.931 20 0 FCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496491 488778366 /nfs/dbraw/zinc/77/83/66/488778366.db2.gz RANXCVXLQCOKET-MSOLQXFVSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496491 488778370 /nfs/dbraw/zinc/77/83/70/488778370.db2.gz RANXCVXLQCOKET-MSOLQXFVSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496491 488778372 /nfs/dbraw/zinc/77/83/72/488778372.db2.gz RANXCVXLQCOKET-MSOLQXFVSA-N 2 1 372.517 0.931 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506275 488778472 /nfs/dbraw/zinc/77/84/72/488778472.db2.gz ODIRAKFDYCPHSE-IAGOWNOFSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506275 488778475 /nfs/dbraw/zinc/77/84/75/488778475.db2.gz ODIRAKFDYCPHSE-IAGOWNOFSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506275 488778477 /nfs/dbraw/zinc/77/84/77/488778477.db2.gz ODIRAKFDYCPHSE-IAGOWNOFSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000158957782 488781584 /nfs/dbraw/zinc/78/15/84/488781584.db2.gz RHQXQYGYAVAPGS-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000158957782 488781586 /nfs/dbraw/zinc/78/15/86/488781586.db2.gz RHQXQYGYAVAPGS-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000163473868 488807912 /nfs/dbraw/zinc/80/79/12/488807912.db2.gz BSCSELHRBBVSKX-KRWDZBQOSA-N 2 1 368.522 0.709 20 0 FCADMP COC1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000165806829 488811277 /nfs/dbraw/zinc/81/12/77/488811277.db2.gz VCZKPPXNZHHYIJ-UHFFFAOYSA-N 2 1 374.485 0.710 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000167212383 488812166 /nfs/dbraw/zinc/81/21/66/488812166.db2.gz PJYFODOWTVNSSS-ZWKOTPCHSA-N 2 1 358.486 0.760 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171202612 488821012 /nfs/dbraw/zinc/82/10/12/488821012.db2.gz GNVQNYLUMBZWHP-UHFFFAOYSA-N 2 1 364.494 0.211 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173147798 488841286 /nfs/dbraw/zinc/84/12/86/488841286.db2.gz JYAXXSDHZXLEJU-INIZCTEOSA-N 2 1 356.511 0.755 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000173396179 488842558 /nfs/dbraw/zinc/84/25/58/488842558.db2.gz KCUMZJCMNFBNSU-KRWDZBQOSA-N 2 1 369.554 0.670 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000173913685 488846259 /nfs/dbraw/zinc/84/62/59/488846259.db2.gz XUNKRIMVIZLQBB-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000173913685 488846260 /nfs/dbraw/zinc/84/62/60/488846260.db2.gz XUNKRIMVIZLQBB-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NCC(=O)N1CCCC1 ZINC000173948775 488846488 /nfs/dbraw/zinc/84/64/88/488846488.db2.gz FNTUHWSSLFLYQH-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000174481927 488849321 /nfs/dbraw/zinc/84/93/21/488849321.db2.gz LQDQMSLMXSFEDP-ICSRJNTNSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CCCN1Cc1ccccc1)CN1CCOCC1 ZINC000174481927 488849322 /nfs/dbraw/zinc/84/93/22/488849322.db2.gz LQDQMSLMXSFEDP-ICSRJNTNSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000174481942 488849354 /nfs/dbraw/zinc/84/93/54/488849354.db2.gz LQDQMSLMXSFEDP-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CCCN1Cc1ccccc1)CN1CCOCC1 ZINC000174481942 488849355 /nfs/dbraw/zinc/84/93/55/488849355.db2.gz LQDQMSLMXSFEDP-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000174745535 488850922 /nfs/dbraw/zinc/85/09/22/488850922.db2.gz NCXXIFQGCFFSLC-WMZOPIPTSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000174745535 488850923 /nfs/dbraw/zinc/85/09/23/488850923.db2.gz NCXXIFQGCFFSLC-WMZOPIPTSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000174745535 488850924 /nfs/dbraw/zinc/85/09/24/488850924.db2.gz NCXXIFQGCFFSLC-WMZOPIPTSA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000175728720 488855295 /nfs/dbraw/zinc/85/52/95/488855295.db2.gz JUJLGUNPERJGDE-QGZVFWFLSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329169298 488976183 /nfs/dbraw/zinc/97/61/83/488976183.db2.gz JOHXIVVPZZEPGB-DZGCQCFKSA-N 2 1 355.508 0.646 20 0 FCADMP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329169298 488976186 /nfs/dbraw/zinc/97/61/86/488976186.db2.gz JOHXIVVPZZEPGB-DZGCQCFKSA-N 2 1 355.508 0.646 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000279972992 488977987 /nfs/dbraw/zinc/97/79/87/488977987.db2.gz YDHRFUZYDKXJSB-ZDUSSCGKSA-N 2 1 353.492 0.317 20 0 FCADMP C[NH+]1CCCN(C(=O)c2ccc(C(=O)N3CCC[N@H+](C)CC3)cn2)CC1 ZINC000329344796 488995439 /nfs/dbraw/zinc/99/54/39/488995439.db2.gz UJWHYBSTMFZCCR-UHFFFAOYSA-N 2 1 359.474 0.637 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364787380 489002411 /nfs/dbraw/zinc/00/24/11/489002411.db2.gz BWIOZTWMCGEHNE-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[N@H+]1C1CC1 ZINC000570245347 491227770 /nfs/dbraw/zinc/22/77/70/491227770.db2.gz VWXGZWKQLWQQHS-HUUCEWRRSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245347 491227771 /nfs/dbraw/zinc/22/77/71/491227771.db2.gz VWXGZWKQLWQQHS-HUUCEWRRSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[NH+]1C1CC1 ZINC000570245347 491227775 /nfs/dbraw/zinc/22/77/75/491227775.db2.gz VWXGZWKQLWQQHS-HUUCEWRRSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CCOCC1 ZINC000365327476 489064404 /nfs/dbraw/zinc/06/44/04/489064404.db2.gz OUEAZKVJEKXLGQ-KSZLIROESA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000289573718 489078189 /nfs/dbraw/zinc/07/81/89/489078189.db2.gz HLRKMUOPSIINLC-AWEZNQCLSA-N 2 1 360.462 0.739 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc2)CC1 ZINC000289763967 489091442 /nfs/dbraw/zinc/09/14/42/489091442.db2.gz ICTRDXJMRITOIT-UXHICEINSA-N 2 1 371.529 0.481 20 0 FCADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000289875595 489099378 /nfs/dbraw/zinc/09/93/78/489099378.db2.gz LXQADADDEHTCAW-QGZVFWFLSA-N 2 1 362.474 0.331 20 0 FCADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000290010592 489108212 /nfs/dbraw/zinc/10/82/12/489108212.db2.gz SGNOZZZYDFTJCE-KRWDZBQOSA-N 2 1 362.474 0.548 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000281839101 489109940 /nfs/dbraw/zinc/10/99/40/489109940.db2.gz STSIVVXBFYGURH-UHFFFAOYSA-N 2 1 363.506 0.778 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000366788362 489199496 /nfs/dbraw/zinc/19/94/96/489199496.db2.gz OECNIBPKHPOTLC-AWEZNQCLSA-N 2 1 350.467 0.992 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331382303 489204031 /nfs/dbraw/zinc/20/40/31/489204031.db2.gz JKEXCFRXAYUBJH-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331382300 489204185 /nfs/dbraw/zinc/20/41/85/489204185.db2.gz JKEXCFRXAYUBJH-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP COCCOC[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000297536410 489207153 /nfs/dbraw/zinc/20/71/53/489207153.db2.gz PMWLBLQUAJOKGP-HXUWFJFHSA-N 2 1 365.518 0.760 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297572105 489210322 /nfs/dbraw/zinc/21/03/22/489210322.db2.gz ADRROEXJZPKZLZ-UHFFFAOYSA-N 2 1 350.463 0.722 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000369356446 489230229 /nfs/dbraw/zinc/23/02/29/489230229.db2.gz XCELJXIPFMDORI-LJQANCHMSA-N 2 1 360.502 0.885 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C)C1 ZINC000332838090 489237865 /nfs/dbraw/zinc/23/78/65/489237865.db2.gz GRUWOMQRZKBGPP-IAGOWNOFSA-N 2 1 368.522 0.728 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000332868005 489240760 /nfs/dbraw/zinc/24/07/60/489240760.db2.gz NSIAPFOIFIOXFL-AWEZNQCLSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)NCC3CC3)CC2)CC1 ZINC000563391582 491241338 /nfs/dbraw/zinc/24/13/38/491241338.db2.gz WWHICQDLTJPKHR-UHFFFAOYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000332895178 489243909 /nfs/dbraw/zinc/24/39/09/489243909.db2.gz IKWSBSTZCGQTSU-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000332895178 489243910 /nfs/dbraw/zinc/24/39/10/489243910.db2.gz IKWSBSTZCGQTSU-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000332895178 489243912 /nfs/dbraw/zinc/24/39/12/489243912.db2.gz IKWSBSTZCGQTSU-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000332966888 489251748 /nfs/dbraw/zinc/25/17/48/489251748.db2.gz FQHYGTCPCNBFIU-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000332966888 489251752 /nfs/dbraw/zinc/25/17/52/489251752.db2.gz FQHYGTCPCNBFIU-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000297921714 489262165 /nfs/dbraw/zinc/26/21/65/489262165.db2.gz XVZBTAHRLSVQRU-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000297921714 489262168 /nfs/dbraw/zinc/26/21/68/489262168.db2.gz XVZBTAHRLSVQRU-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP CCOC(=O)COCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000563409177 491242507 /nfs/dbraw/zinc/24/25/07/491242507.db2.gz OTJNEZLVTJQBLQ-UHFFFAOYSA-N 2 1 369.506 0.879 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369831006 489280094 /nfs/dbraw/zinc/28/00/94/489280094.db2.gz ISCUFUOGMBPRBH-SFHVURJKSA-N 2 1 367.538 0.565 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369860787 489283784 /nfs/dbraw/zinc/28/37/84/489283784.db2.gz HPWRTSMXFGJVBH-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000285838478 489324486 /nfs/dbraw/zinc/32/44/86/489324486.db2.gz JCQZVCYPERVMDW-HNNXBMFYSA-N 2 1 357.458 0.944 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000285838478 489324488 /nfs/dbraw/zinc/32/44/88/489324488.db2.gz JCQZVCYPERVMDW-HNNXBMFYSA-N 2 1 357.458 0.944 20 0 FCADMP NC(=O)NC(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286067453 489352974 /nfs/dbraw/zinc/35/29/74/489352974.db2.gz RRWXWUVEXWWFJY-KRWDZBQOSA-N 2 1 359.474 0.464 20 0 FCADMP NC(=O)NC(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286067453 489352976 /nfs/dbraw/zinc/35/29/76/489352976.db2.gz RRWXWUVEXWWFJY-KRWDZBQOSA-N 2 1 359.474 0.464 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000298724915 489357287 /nfs/dbraw/zinc/35/72/87/489357287.db2.gz SELVAEVQEOUMPY-DLBZAZTESA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000298724915 489357291 /nfs/dbraw/zinc/35/72/91/489357291.db2.gz SELVAEVQEOUMPY-DLBZAZTESA-N 2 1 361.490 0.983 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473936 489364437 /nfs/dbraw/zinc/36/44/37/489364437.db2.gz TZKRMOOWAFNNJU-IDCNUPLLSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473936 489364438 /nfs/dbraw/zinc/36/44/38/489364438.db2.gz TZKRMOOWAFNNJU-IDCNUPLLSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473936 489364441 /nfs/dbraw/zinc/36/44/41/489364441.db2.gz TZKRMOOWAFNNJU-IDCNUPLLSA-N 2 1 362.518 0.918 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370481593 489365024 /nfs/dbraw/zinc/36/50/24/489365024.db2.gz VJVBHRLNOMAGJQ-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000361984357 489370708 /nfs/dbraw/zinc/37/07/08/489370708.db2.gz BHFGSTCFJUPBPF-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000361984357 489370711 /nfs/dbraw/zinc/37/07/11/489370711.db2.gz BHFGSTCFJUPBPF-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000370594467 489380451 /nfs/dbraw/zinc/38/04/51/489380451.db2.gz TZYBKYKYTQUHTM-UHFFFAOYSA-N 2 1 358.486 0.999 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000370594467 489380453 /nfs/dbraw/zinc/38/04/53/489380453.db2.gz TZYBKYKYTQUHTM-UHFFFAOYSA-N 2 1 358.486 0.999 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000370601150 489380980 /nfs/dbraw/zinc/38/09/80/489380980.db2.gz FOSVDJKVTBBUOK-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000370601150 489380982 /nfs/dbraw/zinc/38/09/82/489380982.db2.gz FOSVDJKVTBBUOK-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000370601150 489380985 /nfs/dbraw/zinc/38/09/85/489380985.db2.gz FOSVDJKVTBBUOK-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000563544411 491253934 /nfs/dbraw/zinc/25/39/34/491253934.db2.gz MSXSRLDTKGHSPW-QGZVFWFLSA-N 2 1 359.474 0.337 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286728187 489421847 /nfs/dbraw/zinc/42/18/47/489421847.db2.gz DZBUWQRBJQJMGO-AWEZNQCLSA-N 2 1 364.494 0.196 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286728187 489421849 /nfs/dbraw/zinc/42/18/49/489421849.db2.gz DZBUWQRBJQJMGO-AWEZNQCLSA-N 2 1 364.494 0.196 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363184707 489435076 /nfs/dbraw/zinc/43/50/76/489435076.db2.gz FFJRRCVNLJPLBL-IYBDPMFKSA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363184707 489435079 /nfs/dbraw/zinc/43/50/79/489435079.db2.gz FFJRRCVNLJPLBL-IYBDPMFKSA-N 2 1 369.506 0.829 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000563609243 491257916 /nfs/dbraw/zinc/25/79/16/491257916.db2.gz XPWLSUKDCNMXHC-SFHVURJKSA-N 2 1 362.474 0.901 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000371025721 489439935 /nfs/dbraw/zinc/43/99/35/489439935.db2.gz BDPOXIFZMKRSBF-ZWKOTPCHSA-N 2 1 365.522 0.273 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363389900 489461694 /nfs/dbraw/zinc/46/16/94/489461694.db2.gz OCKMZEYDEGCGNV-ZWKOTPCHSA-N 3 1 369.554 0.765 20 0 FCADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587956 489489342 /nfs/dbraw/zinc/48/93/42/489489342.db2.gz IMHQSNCNSGHBCQ-AEFFLSMTSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@H+](C)CC1 ZINC000371587956 489489343 /nfs/dbraw/zinc/48/93/43/489489343.db2.gz IMHQSNCNSGHBCQ-AEFFLSMTSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371587956 489489344 /nfs/dbraw/zinc/48/93/44/489489344.db2.gz IMHQSNCNSGHBCQ-AEFFLSMTSA-N 2 1 365.522 0.343 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596117 491256847 /nfs/dbraw/zinc/25/68/47/491256847.db2.gz IOWIEIYWHRAMES-SFHVURJKSA-N 2 1 373.501 0.582 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)CC1 ZINC000371639041 489491572 /nfs/dbraw/zinc/49/15/72/489491572.db2.gz BDMYFEKYDHHWNV-INIZCTEOSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)CC1 ZINC000371639041 489491573 /nfs/dbraw/zinc/49/15/73/489491573.db2.gz BDMYFEKYDHHWNV-INIZCTEOSA-N 2 1 351.495 0.465 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423158509 489498280 /nfs/dbraw/zinc/49/82/80/489498280.db2.gz CXPUYIYVLFVMFS-ZWKOTPCHSA-N 2 1 373.501 0.844 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423237043 489506508 /nfs/dbraw/zinc/50/65/08/489506508.db2.gz HXEFRUYQLOCAPU-GOSISDBHSA-N 2 1 358.486 0.917 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000555614139 491259718 /nfs/dbraw/zinc/25/97/18/491259718.db2.gz LIFFZKVEOGKVKA-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000451659707 489514592 /nfs/dbraw/zinc/51/45/92/489514592.db2.gz FOUNPNVUGSSERU-ZIFCJYIRSA-N 2 1 362.518 0.792 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000555616243 491260039 /nfs/dbraw/zinc/26/00/39/491260039.db2.gz POVCVPYIENMCRZ-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000555616243 491260042 /nfs/dbraw/zinc/26/00/42/491260042.db2.gz POVCVPYIENMCRZ-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000563633952 491260194 /nfs/dbraw/zinc/26/01/94/491260194.db2.gz BLNQVPNDXDVBCV-NEPJUHHUSA-N 2 1 365.400 0.214 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000555617304 491260335 /nfs/dbraw/zinc/26/03/35/491260335.db2.gz YQIXPPUOLQKCAP-UHFFFAOYSA-N 2 1 362.474 0.203 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000415442915 489521625 /nfs/dbraw/zinc/52/16/25/489521625.db2.gz GLGUCVONLVSZNT-MAUKXSAKSA-N 2 1 374.485 0.696 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000415507733 489525868 /nfs/dbraw/zinc/52/58/68/489525868.db2.gz OAEPYAMVQOGLEF-DZKIICNBSA-N 2 1 360.458 0.794 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415536164 489527289 /nfs/dbraw/zinc/52/72/89/489527289.db2.gz DPRSKNARZZOSPX-UHFFFAOYSA-N 2 1 356.854 0.692 20 0 FCADMP O=C1OC[C@H]2C[N@@H+](CCCCC[NH+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371998487 489533793 /nfs/dbraw/zinc/53/37/93/489533793.db2.gz LDUXOTZVPYAZSM-GASCZTMLSA-N 2 1 352.435 0.430 20 0 FCADMP O=C1OC[C@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371998487 489533795 /nfs/dbraw/zinc/53/37/95/489533795.db2.gz LDUXOTZVPYAZSM-GASCZTMLSA-N 2 1 352.435 0.430 20 0 FCADMP O=C1OC[C@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371998487 489533797 /nfs/dbraw/zinc/53/37/97/489533797.db2.gz LDUXOTZVPYAZSM-GASCZTMLSA-N 2 1 352.435 0.430 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1)C1CC1 ZINC000415601607 489534990 /nfs/dbraw/zinc/53/49/90/489534990.db2.gz PUDGDZFTLSRTJQ-KRWDZBQOSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1Cl ZINC000415604780 489535658 /nfs/dbraw/zinc/53/56/58/489535658.db2.gz WEIFDHMXZLKTRF-ZDUSSCGKSA-N 2 1 354.838 0.526 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415616818 489537555 /nfs/dbraw/zinc/53/75/55/489537555.db2.gz AFSCNUWAMCPUCG-QGZVFWFLSA-N 2 1 374.485 0.758 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000425875430 489537645 /nfs/dbraw/zinc/53/76/45/489537645.db2.gz ABTGBCYUGDZGPM-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000425875430 489537648 /nfs/dbraw/zinc/53/76/48/489537648.db2.gz ABTGBCYUGDZGPM-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000425874693 489537773 /nfs/dbraw/zinc/53/77/73/489537773.db2.gz DBLJGIWBPGUSML-AWEZNQCLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000425874693 489537775 /nfs/dbraw/zinc/53/77/75/489537775.db2.gz DBLJGIWBPGUSML-AWEZNQCLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000425891793 489543237 /nfs/dbraw/zinc/54/32/37/489543237.db2.gz UNXRFCMQLMHNRU-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555639328 491262116 /nfs/dbraw/zinc/26/21/16/491262116.db2.gz XOGQPKSRUKNUKP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555639328 491262118 /nfs/dbraw/zinc/26/21/18/491262118.db2.gz XOGQPKSRUKNUKP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000372234404 489562045 /nfs/dbraw/zinc/56/20/45/489562045.db2.gz UZOBYBJVYUXCCC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000372234404 489562048 /nfs/dbraw/zinc/56/20/48/489562048.db2.gz UZOBYBJVYUXCCC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000372234404 489562051 /nfs/dbraw/zinc/56/20/51/489562051.db2.gz UZOBYBJVYUXCCC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)nc(C(C)C)n1 ZINC000372313058 489569322 /nfs/dbraw/zinc/56/93/22/489569322.db2.gz HGTJJIVKVIOBNT-QGZVFWFLSA-N 2 1 372.517 0.947 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CCOC)nn1 ZINC000416148365 489571872 /nfs/dbraw/zinc/57/18/72/489571872.db2.gz TUPJFSMALXCSCO-OAHLLOKOSA-N 2 1 352.483 0.413 20 0 FCADMP C[C@@](O)(CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000416161904 489572578 /nfs/dbraw/zinc/57/25/78/489572578.db2.gz OAULVUBVDBCZQS-HXUWFJFHSA-N 2 1 361.486 0.634 20 0 FCADMP C[C@@](O)(CNC(=O)CC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000416161904 489572582 /nfs/dbraw/zinc/57/25/82/489572582.db2.gz OAULVUBVDBCZQS-HXUWFJFHSA-N 2 1 361.486 0.634 20 0 FCADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427228596 489598559 /nfs/dbraw/zinc/59/85/59/489598559.db2.gz XPGXLJMFFZSPQN-UONOGXRCSA-N 2 1 362.478 0.639 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000372581878 489603682 /nfs/dbraw/zinc/60/36/82/489603682.db2.gz APTTXKBXSLPALW-PNYFIKQUSA-N 2 1 370.497 0.643 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC(C)C1 ZINC000456691969 489622444 /nfs/dbraw/zinc/62/24/44/489622444.db2.gz DQQCINIHYRHVFG-WNRNVDISSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000416925780 489634110 /nfs/dbraw/zinc/63/41/10/489634110.db2.gz SXZAJRZVCZMVIG-HZPDHXFCSA-N 2 1 355.527 0.469 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C(C)C ZINC000563763285 491267677 /nfs/dbraw/zinc/26/76/77/491267677.db2.gz RSDGWSVJDSLPNU-INIZCTEOSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000563763285 491267678 /nfs/dbraw/zinc/26/76/78/491267678.db2.gz RSDGWSVJDSLPNU-INIZCTEOSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000563763285 491267680 /nfs/dbraw/zinc/26/76/80/491267680.db2.gz RSDGWSVJDSLPNU-INIZCTEOSA-N 2 1 356.511 0.450 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416944618 489634741 /nfs/dbraw/zinc/63/47/41/489634741.db2.gz GVKJMNCFGCEKQS-HOTGVXAUSA-N 2 1 361.494 0.558 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000416940402 489635034 /nfs/dbraw/zinc/63/50/34/489635034.db2.gz ACGXAPGAWHKMRQ-MRXNPFEDSA-N 2 1 361.494 0.288 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000416995108 489637886 /nfs/dbraw/zinc/63/78/86/489637886.db2.gz KOLZZSBFWSTFLG-UHFFFAOYSA-N 2 1 361.490 0.711 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417014444 489638709 /nfs/dbraw/zinc/63/87/09/489638709.db2.gz FEIPRJCQIQSNTJ-UHFFFAOYSA-N 2 1 363.506 0.157 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417053667 489639712 /nfs/dbraw/zinc/63/97/12/489639712.db2.gz SRVVVDRIQJBMCV-ZBFHGGJFSA-N 2 1 353.511 0.794 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049770 489639915 /nfs/dbraw/zinc/63/99/15/489639915.db2.gz VCJGDZGUHDBRLD-IAGOWNOFSA-N 2 1 367.538 0.995 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417052593 489639946 /nfs/dbraw/zinc/63/99/46/489639946.db2.gz QESBIVMAHKUTBX-HUUCEWRRSA-N 2 1 353.511 0.794 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+](C)C1 ZINC000417162286 489643799 /nfs/dbraw/zinc/64/37/99/489643799.db2.gz KUCIRTKZWZUVGA-ZDUSSCGKSA-N 2 1 352.439 0.013 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515860 489648242 /nfs/dbraw/zinc/64/82/42/489648242.db2.gz NLLUCSDJRJNJFI-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000457515860 489648245 /nfs/dbraw/zinc/64/82/45/489648245.db2.gz NLLUCSDJRJNJFI-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000457515860 489648247 /nfs/dbraw/zinc/64/82/47/489648247.db2.gz NLLUCSDJRJNJFI-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587747 489650087 /nfs/dbraw/zinc/65/00/87/489650087.db2.gz BTZHVGRGZRJABX-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587747 489650088 /nfs/dbraw/zinc/65/00/88/489650088.db2.gz BTZHVGRGZRJABX-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1[NH3+] ZINC000417383754 489651101 /nfs/dbraw/zinc/65/11/01/489651101.db2.gz KQDZIJUCCNJRPM-WMZOPIPTSA-N 2 1 360.506 0.972 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417426686 489651707 /nfs/dbraw/zinc/65/17/07/489651707.db2.gz HFPHEBWTXURPLP-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417426689 489651848 /nfs/dbraw/zinc/65/18/48/489651848.db2.gz HFPHEBWTXURPLP-JKSUJKDBSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622629 489651964 /nfs/dbraw/zinc/65/19/64/489651964.db2.gz QNRVSAYNTZHKNI-QZTJIDSGSA-N 2 1 369.554 0.404 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428521493 489652059 /nfs/dbraw/zinc/65/20/59/489652059.db2.gz WIWGAZYXIKPTBN-HNNXBMFYSA-N 2 1 354.476 0.737 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417436225 489653327 /nfs/dbraw/zinc/65/33/27/489653327.db2.gz ZNDKBLUWZNFWHD-MAUKXSAKSA-N 2 1 353.511 0.618 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000555732379 491269014 /nfs/dbraw/zinc/26/90/14/491269014.db2.gz IKCILRQQMINNQP-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000555732379 491269015 /nfs/dbraw/zinc/26/90/15/491269015.db2.gz IKCILRQQMINNQP-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000555732379 491269016 /nfs/dbraw/zinc/26/90/16/491269016.db2.gz IKCILRQQMINNQP-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000417460162 489654899 /nfs/dbraw/zinc/65/48/99/489654899.db2.gz JOJMNBVRCPNOKT-WBVHZDCISA-N 2 1 353.511 0.663 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417495532 489656441 /nfs/dbraw/zinc/65/64/41/489656441.db2.gz TWMNQHKCUACILA-BZSNNMDCSA-N 2 1 364.490 0.670 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000417519129 489657104 /nfs/dbraw/zinc/65/71/04/489657104.db2.gz ULFMMZNJRTUYKH-OKZBNKHCSA-N 2 1 364.490 0.576 20 0 FCADMP CC(C)(C[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417550933 489658047 /nfs/dbraw/zinc/65/80/47/489658047.db2.gz XTCAPHHLCZZETE-MRXNPFEDSA-N 2 1 361.490 0.920 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)[N@@H+](C)C1CC1 ZINC000417550471 489658056 /nfs/dbraw/zinc/65/80/56/489658056.db2.gz LKJKGYHBTQTEFO-BFYDXBDKSA-N 2 1 365.522 0.759 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000417550106 489658358 /nfs/dbraw/zinc/65/83/58/489658358.db2.gz UMBJUYFTRJICJT-SJORKVTESA-N 2 1 359.474 0.545 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417667845 489661157 /nfs/dbraw/zinc/66/11/57/489661157.db2.gz HQMGUJOLRBJSRC-MSOLQXFVSA-N 2 1 369.554 0.718 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417730018 489662866 /nfs/dbraw/zinc/66/28/66/489662866.db2.gz LSANWGUSAMQQAN-QGZVFWFLSA-N 2 1 363.506 0.732 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417741147 489663379 /nfs/dbraw/zinc/66/33/79/489663379.db2.gz IMYFCULUSNISKY-BRWVUGGUSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417740571 489663521 /nfs/dbraw/zinc/66/35/21/489663521.db2.gz ZXQVJQQXYCLWDT-SJLPKXTDSA-N 2 1 361.490 0.566 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417744560 489663965 /nfs/dbraw/zinc/66/39/65/489663965.db2.gz NCWNAVQFZBRPMM-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000417761485 489664790 /nfs/dbraw/zinc/66/47/90/489664790.db2.gz ZFAUYZSTGIIGFF-FRRDWIJNSA-N 2 1 351.417 0.604 20 0 FCADMP C[C@@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000417855079 489668487 /nfs/dbraw/zinc/66/84/87/489668487.db2.gz KUAVLGMAZNEMNG-HUUCEWRRSA-N 2 1 353.511 0.569 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000373123613 489670481 /nfs/dbraw/zinc/67/04/81/489670481.db2.gz NYTSJQWSRRXPQY-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000373123613 489670484 /nfs/dbraw/zinc/67/04/84/489670484.db2.gz NYTSJQWSRRXPQY-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373128090 489671071 /nfs/dbraw/zinc/67/10/71/489671071.db2.gz YIHDHQAEJMPLNA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373128090 489671074 /nfs/dbraw/zinc/67/10/74/489671074.db2.gz YIHDHQAEJMPLNA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373128090 489671077 /nfs/dbraw/zinc/67/10/77/489671077.db2.gz YIHDHQAEJMPLNA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418001177 489674798 /nfs/dbraw/zinc/67/47/98/489674798.db2.gz WLWBJXLQGBWVBH-KRWDZBQOSA-N 2 1 350.463 0.288 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCN2CCOC[C@H]2C)CC1 ZINC000458287781 489675903 /nfs/dbraw/zinc/67/59/03/489675903.db2.gz BVOQRUNYFMVFNK-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000458356055 489678165 /nfs/dbraw/zinc/67/81/65/489678165.db2.gz CZTMLOWWRIWMRH-OAHLLOKOSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000458363263 489679345 /nfs/dbraw/zinc/67/93/45/489679345.db2.gz JMGMJNIWNAJIPN-MRXNPFEDSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000458363263 489679346 /nfs/dbraw/zinc/67/93/46/489679346.db2.gz JMGMJNIWNAJIPN-MRXNPFEDSA-N 2 1 353.511 0.663 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408407 489681374 /nfs/dbraw/zinc/68/13/74/489681374.db2.gz DKCOGEXCZKMPMX-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408407 489681375 /nfs/dbraw/zinc/68/13/75/489681375.db2.gz DKCOGEXCZKMPMX-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408407 489681376 /nfs/dbraw/zinc/68/13/76/489681376.db2.gz DKCOGEXCZKMPMX-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418197686 489684053 /nfs/dbraw/zinc/68/40/53/489684053.db2.gz JXMPQBDMHIDSTD-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418197686 489684057 /nfs/dbraw/zinc/68/40/57/489684057.db2.gz JXMPQBDMHIDSTD-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418305069 489690597 /nfs/dbraw/zinc/69/05/97/489690597.db2.gz ZRWQKJUQBZDPBP-UHFFFAOYSA-N 2 1 359.518 0.852 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000570879996 491271650 /nfs/dbraw/zinc/27/16/50/491271650.db2.gz VZXZQEJFHMVKFT-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000570879996 491271651 /nfs/dbraw/zinc/27/16/51/491271651.db2.gz VZXZQEJFHMVKFT-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000570879996 491271652 /nfs/dbraw/zinc/27/16/52/491271652.db2.gz VZXZQEJFHMVKFT-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H](C)C[NH2+]C)CC2)CC1 ZINC000418371965 489694102 /nfs/dbraw/zinc/69/41/02/489694102.db2.gz SLRPCJBAPWLTJH-MRXNPFEDSA-N 2 1 367.538 0.818 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000458737484 489699534 /nfs/dbraw/zinc/69/95/34/489699534.db2.gz VYLSJDJNBPYGAH-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1(C)C ZINC000458737484 489699539 /nfs/dbraw/zinc/69/95/39/489699539.db2.gz VYLSJDJNBPYGAH-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1(C)C ZINC000458737484 489699544 /nfs/dbraw/zinc/69/95/44/489699544.db2.gz VYLSJDJNBPYGAH-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418478017 489701076 /nfs/dbraw/zinc/70/10/76/489701076.db2.gz WGAZYMCVOFHAGO-OAGGEKHMSA-N 2 1 356.511 0.881 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418478017 489701080 /nfs/dbraw/zinc/70/10/80/489701080.db2.gz WGAZYMCVOFHAGO-OAGGEKHMSA-N 2 1 356.511 0.881 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418511843 489702647 /nfs/dbraw/zinc/70/26/47/489702647.db2.gz SBPKJSUMQUTOII-GOSISDBHSA-N 2 1 350.463 0.159 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418548225 489705758 /nfs/dbraw/zinc/70/57/58/489705758.db2.gz KMQCEJAYACZQHN-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418548225 489705762 /nfs/dbraw/zinc/70/57/62/489705762.db2.gz KMQCEJAYACZQHN-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000418565588 489707946 /nfs/dbraw/zinc/70/79/46/489707946.db2.gz VNTIAMPXUWEETF-YQVWRLOYSA-N 2 1 362.474 0.507 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624584 489712520 /nfs/dbraw/zinc/71/25/20/489712520.db2.gz ZCOHZBSJWNCJHP-KBPBESRZSA-N 2 1 365.444 0.806 20 0 FCADMP CCN1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000459046560 489716063 /nfs/dbraw/zinc/71/60/63/489716063.db2.gz LZABUOOIROAPBJ-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CCO[C@@H]1COC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459119817 489718423 /nfs/dbraw/zinc/71/84/23/489718423.db2.gz NWHSQJWKBVQFBZ-GVDBMIGSSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@H](CO)[N@H+]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000470055752 489722447 /nfs/dbraw/zinc/72/24/47/489722447.db2.gz KDUCGIDGSLECAA-MRXNPFEDSA-N 2 1 361.490 0.362 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418756088 489723287 /nfs/dbraw/zinc/72/32/87/489723287.db2.gz COFVMWJAOWZSLN-OKZBNKHCSA-N 2 1 362.474 0.157 20 0 FCADMP C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459539822 489737845 /nfs/dbraw/zinc/73/78/45/489737845.db2.gz QCVFLVQTUVAHGC-RDJZCZTQSA-N 2 1 354.520 0.883 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000418826266 489741345 /nfs/dbraw/zinc/74/13/45/489741345.db2.gz BCIOXFISLZPOPZ-DZGCQCFKSA-N 2 1 350.463 0.386 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000418830231 489743505 /nfs/dbraw/zinc/74/35/05/489743505.db2.gz FPUICZMZZKENNN-BMFZPTHFSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548602 489745342 /nfs/dbraw/zinc/74/53/42/489745342.db2.gz MFNVESJWFXRBTN-HIFRSBDPSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548602 489745348 /nfs/dbraw/zinc/74/53/48/489745348.db2.gz MFNVESJWFXRBTN-HIFRSBDPSA-N 2 1 368.503 0.052 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680282 489746315 /nfs/dbraw/zinc/74/63/15/489746315.db2.gz CTHBLFLEVNJNBC-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680282 489746319 /nfs/dbraw/zinc/74/63/19/489746319.db2.gz CTHBLFLEVNJNBC-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680282 489746325 /nfs/dbraw/zinc/74/63/25/489746325.db2.gz CTHBLFLEVNJNBC-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680282 489746330 /nfs/dbraw/zinc/74/63/30/489746330.db2.gz CTHBLFLEVNJNBC-OALUTQOASA-N 2 1 361.486 0.314 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccco1 ZINC000418835872 489747006 /nfs/dbraw/zinc/74/70/06/489747006.db2.gz QDHACQREDWHVAB-INIZCTEOSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCSCC1 ZINC000376527081 489748540 /nfs/dbraw/zinc/74/85/40/489748540.db2.gz FGSPKTCQKTXCHW-MRXNPFEDSA-N 2 1 354.564 0.910 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430597304 489749527 /nfs/dbraw/zinc/74/95/27/489749527.db2.gz ZVXVVKKOASXCEZ-UHFFFAOYSA-N 2 1 354.476 0.594 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418848591 489754171 /nfs/dbraw/zinc/75/41/71/489754171.db2.gz LTNSHDBENHUYSO-GOEBONIOSA-N 2 1 362.474 0.482 20 0 FCADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[C@H]1C ZINC000376569683 489755113 /nfs/dbraw/zinc/75/51/13/489755113.db2.gz HOVXZGOSZIYZCC-FJIDUMEYSA-N 2 1 353.507 0.960 20 0 FCADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430618202 489755477 /nfs/dbraw/zinc/75/54/77/489755477.db2.gz RTFRIUGCSVOLQI-AWEZNQCLSA-N 2 1 350.488 0.703 20 0 FCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430618202 489755480 /nfs/dbraw/zinc/75/54/80/489755480.db2.gz RTFRIUGCSVOLQI-AWEZNQCLSA-N 2 1 350.488 0.703 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000418850826 489756290 /nfs/dbraw/zinc/75/62/90/489756290.db2.gz OSXKUSNAGIIYQM-UXLLHSPISA-N 2 1 374.485 0.482 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000418850397 489756427 /nfs/dbraw/zinc/75/64/27/489756427.db2.gz NUTIFHHCAGTELK-OAHLLOKOSA-N 2 1 350.463 0.482 20 0 FCADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430621075 489756465 /nfs/dbraw/zinc/75/64/65/489756465.db2.gz CXCJIRCJRDOUDZ-MRXNPFEDSA-N 2 1 354.495 0.063 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000418850787 489756609 /nfs/dbraw/zinc/75/66/09/489756609.db2.gz OOCJHWQIPAUBKE-YCPHGPKFSA-N 2 1 362.474 0.610 20 0 FCADMP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000430628680 489757199 /nfs/dbraw/zinc/75/71/99/489757199.db2.gz PBEQBISKRYGCOB-CYBMUJFWSA-N 2 1 352.504 0.714 20 0 FCADMP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000430628680 489757204 /nfs/dbraw/zinc/75/72/04/489757204.db2.gz PBEQBISKRYGCOB-CYBMUJFWSA-N 2 1 352.504 0.714 20 0 FCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1C ZINC000430630366 489758073 /nfs/dbraw/zinc/75/80/73/489758073.db2.gz RYRLUUHPWYOIEQ-UHFFFAOYSA-N 2 1 354.476 0.560 20 0 FCADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635456 489758884 /nfs/dbraw/zinc/75/88/84/489758884.db2.gz HANDCIVYHYSPLE-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635457 489759128 /nfs/dbraw/zinc/75/91/28/489759128.db2.gz HANDCIVYHYSPLE-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000430631954 489759345 /nfs/dbraw/zinc/75/93/45/489759345.db2.gz WGQXEBGMNYNOOA-HNNXBMFYSA-N 2 1 366.893 0.786 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642600 489759835 /nfs/dbraw/zinc/75/98/35/489759835.db2.gz PDODYLLEFNNRMM-UONOGXRCSA-N 2 1 350.467 0.151 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642600 489759838 /nfs/dbraw/zinc/75/98/38/489759838.db2.gz PDODYLLEFNNRMM-UONOGXRCSA-N 2 1 350.467 0.151 20 0 FCADMP CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376614486 489760543 /nfs/dbraw/zinc/76/05/43/489760543.db2.gz HTFZLRPZKNYVAA-UHFFFAOYSA-N 2 1 369.506 0.879 20 0 FCADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640877 489760726 /nfs/dbraw/zinc/76/07/26/489760726.db2.gz LFNQHUFXSYEMAC-MJGOQNOKSA-N 2 1 372.513 0.878 20 0 FCADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640872 489760772 /nfs/dbraw/zinc/76/07/72/489760772.db2.gz LEKSPNGQIGSQQF-ZWKOTPCHSA-N 2 1 358.486 0.960 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418861110 489762596 /nfs/dbraw/zinc/76/25/96/489762596.db2.gz MNKLSOSDFJFIPL-CQSZACIVSA-N 2 1 354.401 0.650 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418861103 489762746 /nfs/dbraw/zinc/76/27/46/489762746.db2.gz MLZNVINPUHJKBU-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863676 489763240 /nfs/dbraw/zinc/76/32/40/489763240.db2.gz BSKTVWOOLJJVFL-JKSUJKDBSA-N 2 1 368.522 0.498 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430657372 489763661 /nfs/dbraw/zinc/76/36/61/489763661.db2.gz VTHSNLQRPOZYRE-AWEZNQCLSA-N 2 1 374.441 0.498 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430657372 489763667 /nfs/dbraw/zinc/76/36/67/489763667.db2.gz VTHSNLQRPOZYRE-AWEZNQCLSA-N 2 1 374.441 0.498 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430655108 489763979 /nfs/dbraw/zinc/76/39/79/489763979.db2.gz QZDHZDVJXBEHKK-KGLIPLIRSA-N 2 1 350.467 0.578 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430655108 489763984 /nfs/dbraw/zinc/76/39/84/489763984.db2.gz QZDHZDVJXBEHKK-KGLIPLIRSA-N 2 1 350.467 0.578 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000430708485 489766077 /nfs/dbraw/zinc/76/60/77/489766077.db2.gz TWYNAPXJFBSGEK-UHFFFAOYSA-N 2 1 371.445 0.955 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418870617 489767877 /nfs/dbraw/zinc/76/78/77/489767877.db2.gz YKRKWHVODRSYTJ-UAGQMJEPSA-N 2 1 374.485 0.606 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000418875038 489770280 /nfs/dbraw/zinc/77/02/80/489770280.db2.gz CLGOKYFARRKBAG-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000459858918 489771837 /nfs/dbraw/zinc/77/18/37/489771837.db2.gz FHEHEEJFMHFFSM-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000459858918 489771838 /nfs/dbraw/zinc/77/18/38/489771838.db2.gz FHEHEEJFMHFFSM-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000459858662 489771869 /nfs/dbraw/zinc/77/18/69/489771869.db2.gz DURVUBKBJAFWEZ-IBGZPJMESA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000459858662 489771871 /nfs/dbraw/zinc/77/18/71/489771871.db2.gz DURVUBKBJAFWEZ-IBGZPJMESA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418879947 489772023 /nfs/dbraw/zinc/77/20/23/489772023.db2.gz OFWMGQWICXTCLM-HOTGVXAUSA-N 2 1 356.511 0.435 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418879243 489772131 /nfs/dbraw/zinc/77/21/31/489772131.db2.gz NBPPYUVYEWNUJN-ROUUACIJSA-N 2 1 374.485 0.209 20 0 FCADMP COCC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878372 489774079 /nfs/dbraw/zinc/77/40/79/489774079.db2.gz NWBVKOQNPRSUAC-QAPCUYQASA-N 2 1 354.495 0.062 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cn2)CC1 ZINC000430865025 489774286 /nfs/dbraw/zinc/77/42/86/489774286.db2.gz MLPQOIUXRAUBGU-KRWDZBQOSA-N 2 1 370.457 0.166 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418883338 489774689 /nfs/dbraw/zinc/77/46/89/489774689.db2.gz UYIRKJBZGRQLKP-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000430892365 489775035 /nfs/dbraw/zinc/77/50/35/489775035.db2.gz DKPPUAOFXVIVDC-KRWDZBQOSA-N 2 1 351.447 0.248 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000430892365 489775038 /nfs/dbraw/zinc/77/50/38/489775038.db2.gz DKPPUAOFXVIVDC-KRWDZBQOSA-N 2 1 351.447 0.248 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000430893195 489775304 /nfs/dbraw/zinc/77/53/04/489775304.db2.gz DTOMLLUHQYCNTC-KRWDZBQOSA-N 2 1 351.447 0.248 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[NH2+]CC1 ZINC000430941383 489779766 /nfs/dbraw/zinc/77/97/66/489779766.db2.gz WIHAIYYVQKHOQW-KRWDZBQOSA-N 2 1 360.502 0.819 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947522 489780776 /nfs/dbraw/zinc/78/07/76/489780776.db2.gz BKRUBFFMUHYZTF-LPHOPBHVSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947522 489780780 /nfs/dbraw/zinc/78/07/80/489780780.db2.gz BKRUBFFMUHYZTF-LPHOPBHVSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000430966592 489781795 /nfs/dbraw/zinc/78/17/95/489781795.db2.gz PANLLTMNPZGTBH-HOTGVXAUSA-N 2 1 350.507 0.764 20 0 FCADMP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000430966592 489781801 /nfs/dbraw/zinc/78/18/01/489781801.db2.gz PANLLTMNPZGTBH-HOTGVXAUSA-N 2 1 350.507 0.764 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430963852 489782593 /nfs/dbraw/zinc/78/25/93/489782593.db2.gz WQGZFHKETCUCBR-LLVKDONJSA-N 2 1 370.475 0.340 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000474810057 489788032 /nfs/dbraw/zinc/78/80/32/489788032.db2.gz NQNNFNJOCRAJOC-HUUCEWRRSA-N 2 1 360.502 0.863 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000491073336 489794241 /nfs/dbraw/zinc/79/42/41/489794241.db2.gz DCMJHFRMODBFLP-SFHVURJKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000418936045 489795897 /nfs/dbraw/zinc/79/58/97/489795897.db2.gz BECSEQNJZOJAOM-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000459928755 489797463 /nfs/dbraw/zinc/79/74/63/489797463.db2.gz YTEGNHOXAIBKTK-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000459928755 489797464 /nfs/dbraw/zinc/79/74/64/489797464.db2.gz YTEGNHOXAIBKTK-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376824287 489801025 /nfs/dbraw/zinc/80/10/25/489801025.db2.gz VCPNXLAVQQGEPV-MQVJKMGUSA-N 2 1 353.511 0.711 20 0 FCADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475149831 489808161 /nfs/dbraw/zinc/80/81/61/489808161.db2.gz QQGXWHJNWLMZDU-JTDSTZFVSA-N 2 1 372.506 0.891 20 0 FCADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475149831 489808164 /nfs/dbraw/zinc/80/81/64/489808164.db2.gz QQGXWHJNWLMZDU-JTDSTZFVSA-N 2 1 372.506 0.891 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022321 489821874 /nfs/dbraw/zinc/82/18/74/489821874.db2.gz IEOAJWLWHYWBBL-RBSFLKMASA-N 2 1 368.522 0.842 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000460031013 489824586 /nfs/dbraw/zinc/82/45/86/489824586.db2.gz BCJRBDGMPFQYJN-LJQANCHMSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041380 489829018 /nfs/dbraw/zinc/82/90/18/489829018.db2.gz BTJIOPCDRNVLEB-RDJZCZTQSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041380 489829023 /nfs/dbraw/zinc/82/90/23/489829023.db2.gz BTJIOPCDRNVLEB-RDJZCZTQSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041380 489829026 /nfs/dbraw/zinc/82/90/26/489829026.db2.gz BTJIOPCDRNVLEB-RDJZCZTQSA-N 2 1 364.490 0.005 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000419040139 489830323 /nfs/dbraw/zinc/83/03/23/489830323.db2.gz MDHSTXUGNMSKEK-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nccn2C)[C@@H](C)C1 ZINC000563985559 491281751 /nfs/dbraw/zinc/28/17/51/491281751.db2.gz FMYOVJYSROBPKM-LSDHHAIUSA-N 2 1 365.478 0.290 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)O1 ZINC000460057668 489836736 /nfs/dbraw/zinc/83/67/36/489836736.db2.gz JDBIXESRLHLYDK-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)O1 ZINC000460057668 489836739 /nfs/dbraw/zinc/83/67/39/489836739.db2.gz JDBIXESRLHLYDK-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)CCO1 ZINC000460060195 489838136 /nfs/dbraw/zinc/83/81/36/489838136.db2.gz SUFYVZKIHSBNQV-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419065345 489841576 /nfs/dbraw/zinc/84/15/76/489841576.db2.gz DEHMJOJRAWRPOU-CABCVRRESA-N 2 1 362.474 0.235 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419065345 489841582 /nfs/dbraw/zinc/84/15/82/489841582.db2.gz DEHMJOJRAWRPOU-CABCVRRESA-N 2 1 362.474 0.235 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066084 489842117 /nfs/dbraw/zinc/84/21/17/489842117.db2.gz DYYPRASLEANNNW-MAUKXSAKSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066084 489842123 /nfs/dbraw/zinc/84/21/23/489842123.db2.gz DYYPRASLEANNNW-MAUKXSAKSA-N 2 1 374.485 0.392 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000460078457 489844703 /nfs/dbraw/zinc/84/47/03/489844703.db2.gz HMZGRVIDGXZOQI-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081500 489849021 /nfs/dbraw/zinc/84/90/21/489849021.db2.gz YUIFINGFMRYMKQ-RDTXWAMCSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081500 489849026 /nfs/dbraw/zinc/84/90/26/489849026.db2.gz YUIFINGFMRYMKQ-RDTXWAMCSA-N 2 1 374.485 0.377 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)[nH+]c1 ZINC000419097750 489854387 /nfs/dbraw/zinc/85/43/87/489854387.db2.gz NCKGYYPOZYQGNJ-UHFFFAOYSA-N 2 1 359.474 0.910 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419099118 489855246 /nfs/dbraw/zinc/85/52/46/489855246.db2.gz DKCWFLXGPCIBDE-SJORKVTESA-N 2 1 358.486 0.963 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000460234339 489856536 /nfs/dbraw/zinc/85/65/36/489856536.db2.gz WZQYDTVHAUYMGH-PKOBYXMFSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000460234339 489856540 /nfs/dbraw/zinc/85/65/40/489856540.db2.gz WZQYDTVHAUYMGH-PKOBYXMFSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000460234339 489856543 /nfs/dbraw/zinc/85/65/43/489856543.db2.gz WZQYDTVHAUYMGH-PKOBYXMFSA-N 2 1 362.474 0.119 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000419109061 489858144 /nfs/dbraw/zinc/85/81/44/489858144.db2.gz AIQMGIVRQAOEHG-ZACQAIPSSA-N 2 1 366.506 0.060 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000419114093 489860831 /nfs/dbraw/zinc/86/08/31/489860831.db2.gz HTBJHQNFOAQLTI-ZOBUZTSGSA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419119262 489864652 /nfs/dbraw/zinc/86/46/52/489864652.db2.gz OPYXBGOLYVZMTD-MRXNPFEDSA-N 2 1 354.495 0.108 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419123103 489866853 /nfs/dbraw/zinc/86/68/53/489866853.db2.gz VDIWOKFKMZEZJT-HOTGVXAUSA-N 2 1 354.495 0.189 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000419123352 489867039 /nfs/dbraw/zinc/86/70/39/489867039.db2.gz VRYKUQFRTHWKQT-INIZCTEOSA-N 2 1 370.538 0.683 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419125104 489868528 /nfs/dbraw/zinc/86/85/28/489868528.db2.gz ZDJWUSOZUXETJQ-CVEARBPZSA-N 2 1 356.511 0.339 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419125107 489868617 /nfs/dbraw/zinc/86/86/17/489868617.db2.gz ZDJWUSOZUXETJQ-JKSUJKDBSA-N 2 1 356.511 0.339 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000419125551 489868738 /nfs/dbraw/zinc/86/87/38/489868738.db2.gz KAUKLOLDEQWLLK-BBWFWOEESA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)[C@H]2CCCSC2)C1 ZINC000433206826 489871646 /nfs/dbraw/zinc/87/16/46/489871646.db2.gz IMLDODVADLGZIP-IRXDYDNUSA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCO)[C@H]2CCCSC2)C1 ZINC000433206826 489871650 /nfs/dbraw/zinc/87/16/50/489871650.db2.gz IMLDODVADLGZIP-IRXDYDNUSA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)C1 ZINC000433206826 489871653 /nfs/dbraw/zinc/87/16/53/489871653.db2.gz IMLDODVADLGZIP-IRXDYDNUSA-N 2 1 373.563 0.649 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000419991484 489874575 /nfs/dbraw/zinc/87/45/75/489874575.db2.gz DKLVSQQJELMOBM-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000419991484 489874577 /nfs/dbraw/zinc/87/45/77/489874577.db2.gz DKLVSQQJELMOBM-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419993963 489875765 /nfs/dbraw/zinc/87/57/65/489875765.db2.gz KZURVQYXINDFQF-KFWWJZLASA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413172 489882243 /nfs/dbraw/zinc/88/22/43/489882243.db2.gz WASYFEKPLFRIRM-MSOLQXFVSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413172 489882249 /nfs/dbraw/zinc/88/22/49/489882249.db2.gz WASYFEKPLFRIRM-MSOLQXFVSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413172 489882252 /nfs/dbraw/zinc/88/22/52/489882252.db2.gz WASYFEKPLFRIRM-MSOLQXFVSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420026215 489885314 /nfs/dbraw/zinc/88/53/14/489885314.db2.gz ZXDAUMISLZTCQQ-BHYGNILZSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420039857 489889603 /nfs/dbraw/zinc/88/96/03/489889603.db2.gz OGZFDBIHTZOHAD-VYDXJSESSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000420051362 489894943 /nfs/dbraw/zinc/89/49/43/489894943.db2.gz DWHKTLUEOWXPNA-INMHGKMJSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000420074027 489903762 /nfs/dbraw/zinc/90/37/62/489903762.db2.gz PYVIZVFGEMCXQU-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000420074027 489903764 /nfs/dbraw/zinc/90/37/64/489903764.db2.gz PYVIZVFGEMCXQU-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000494713827 489906919 /nfs/dbraw/zinc/90/69/19/489906919.db2.gz VLTUEVGZGHTJJR-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000461387883 489907217 /nfs/dbraw/zinc/90/72/17/489907217.db2.gz SYTWFLOAQFOUSX-BGYRXZFFSA-N 2 1 364.486 0.853 20 0 FCADMP C[NH+](Cc1cccc(C[N@H+](C)[C@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000461387883 489907221 /nfs/dbraw/zinc/90/72/21/489907221.db2.gz SYTWFLOAQFOUSX-BGYRXZFFSA-N 2 1 364.486 0.853 20 0 FCADMP C[NH+](Cc1cccc(C[N@@H+](C)[C@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000461387883 489907225 /nfs/dbraw/zinc/90/72/25/489907225.db2.gz SYTWFLOAQFOUSX-BGYRXZFFSA-N 2 1 364.486 0.853 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126512 489921854 /nfs/dbraw/zinc/92/18/54/489921854.db2.gz OHCLEFQVLDRHKO-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420141056 489927137 /nfs/dbraw/zinc/92/71/37/489927137.db2.gz RDWFTOGJMIFVSZ-KDURUIRLSA-N 2 1 368.481 0.613 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141427 489928316 /nfs/dbraw/zinc/92/83/16/489928316.db2.gz ZITDPQQBUFIBGV-YSHGAJCASA-N 2 1 370.497 0.834 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C[C@H](C)O ZINC000420155053 489934016 /nfs/dbraw/zinc/93/40/16/489934016.db2.gz CYMKECDVEBDXFV-XHSDSOJGSA-N 2 1 368.522 0.184 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1C[C@H](C)O ZINC000420155053 489934019 /nfs/dbraw/zinc/93/40/19/489934019.db2.gz CYMKECDVEBDXFV-XHSDSOJGSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000420156282 489935076 /nfs/dbraw/zinc/93/50/76/489935076.db2.gz FKCQYRTZUIHUCL-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000420156282 489935079 /nfs/dbraw/zinc/93/50/79/489935079.db2.gz FKCQYRTZUIHUCL-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000495315056 489935107 /nfs/dbraw/zinc/93/51/07/489935107.db2.gz SPXJETVUFKZGMF-WBVHZDCISA-N 2 1 366.506 0.333 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000477088175 489940365 /nfs/dbraw/zinc/94/03/65/489940365.db2.gz XTKFWSLOJJCLRX-INIZCTEOSA-N 2 1 370.538 0.650 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000420187048 489944760 /nfs/dbraw/zinc/94/47/60/489944760.db2.gz LPKQEAJJAAOKAA-ZWKOTPCHSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420210227 489953813 /nfs/dbraw/zinc/95/38/13/489953813.db2.gz VZMXNDTUADESFZ-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477263250 489954289 /nfs/dbraw/zinc/95/42/89/489954289.db2.gz JMGQKTKYOBOVRP-YJBOKZPZSA-N 2 1 356.511 0.308 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420214622 489954904 /nfs/dbraw/zinc/95/49/04/489954904.db2.gz ZPEHUBIWJDFFEH-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000420219702 489955232 /nfs/dbraw/zinc/95/52/32/489955232.db2.gz YWNMLDNCYZHZFI-HHARLNAUSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000420364936 489968860 /nfs/dbraw/zinc/96/88/60/489968860.db2.gz DHIUCQZETHCSPB-BVGQSLNGSA-N 2 1 363.483 0.916 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[NH2+][C@@H](C[NH3+])C1CCCCC1)c(=O)n2C ZINC000420380147 489969930 /nfs/dbraw/zinc/96/99/30/489969930.db2.gz YCRQJYXSNJYOOD-AWEZNQCLSA-N 2 1 362.478 0.321 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406282 489972715 /nfs/dbraw/zinc/97/27/15/489972715.db2.gz QZGUHWPPLZCHJP-BHYGNILZSA-N 2 1 365.522 0.901 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406282 489972718 /nfs/dbraw/zinc/97/27/18/489972718.db2.gz QZGUHWPPLZCHJP-BHYGNILZSA-N 2 1 365.522 0.901 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000477678783 489983930 /nfs/dbraw/zinc/98/39/30/489983930.db2.gz NWRHEHJIFFNEMN-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477874178 489994546 /nfs/dbraw/zinc/99/45/46/489994546.db2.gz FSLGVJKOZZPRIO-LUKYLMHMSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477874178 489994549 /nfs/dbraw/zinc/99/45/49/489994549.db2.gz FSLGVJKOZZPRIO-LUKYLMHMSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477874178 489994553 /nfs/dbraw/zinc/99/45/53/489994553.db2.gz FSLGVJKOZZPRIO-LUKYLMHMSA-N 2 1 356.511 0.582 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887233 489994729 /nfs/dbraw/zinc/99/47/29/489994729.db2.gz ACBYWBNZGKNXAA-XWTMOSNGSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015860 490000711 /nfs/dbraw/zinc/00/07/11/490000711.db2.gz MKCMFHDPIXWEDB-ZRGWGRIASA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015854 490000898 /nfs/dbraw/zinc/00/08/98/490000898.db2.gz MKCMFHDPIXWEDB-CLCXKQKWSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000478104034 490005181 /nfs/dbraw/zinc/00/51/81/490005181.db2.gz QBGMPNFSUNRKDO-KRWDZBQOSA-N 2 1 350.507 0.528 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000478104034 490005185 /nfs/dbraw/zinc/00/51/85/490005185.db2.gz QBGMPNFSUNRKDO-KRWDZBQOSA-N 2 1 350.507 0.528 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000436491906 490007972 /nfs/dbraw/zinc/00/79/72/490007972.db2.gz XMRXNWVUKYYUHT-HNNXBMFYSA-N 2 1 350.467 0.631 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085946 491294008 /nfs/dbraw/zinc/29/40/08/491294008.db2.gz YSWAXLJQDRGXJJ-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085946 491294010 /nfs/dbraw/zinc/29/40/10/491294010.db2.gz YSWAXLJQDRGXJJ-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085946 491294012 /nfs/dbraw/zinc/29/40/12/491294012.db2.gz YSWAXLJQDRGXJJ-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000564208003 491294046 /nfs/dbraw/zinc/29/40/46/491294046.db2.gz LLXSBQCJRGNTDO-JSGCOSHPSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000564208003 491294049 /nfs/dbraw/zinc/29/40/49/491294049.db2.gz LLXSBQCJRGNTDO-JSGCOSHPSA-N 2 1 350.488 0.479 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000378138797 490016290 /nfs/dbraw/zinc/01/62/90/490016290.db2.gz VOGVVEKUAAOVCT-QGZVFWFLSA-N 2 1 350.463 0.749 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000378138797 490016294 /nfs/dbraw/zinc/01/62/94/490016294.db2.gz VOGVVEKUAAOVCT-QGZVFWFLSA-N 2 1 350.463 0.749 20 0 FCADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539480 490023752 /nfs/dbraw/zinc/02/37/52/490023752.db2.gz FKODEDWFXPYIHF-NVXWUHKLSA-N 2 1 359.474 0.990 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000479139384 490069135 /nfs/dbraw/zinc/06/91/35/490069135.db2.gz ADYFCFVJQJLLSC-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000479139384 490069141 /nfs/dbraw/zinc/06/91/41/490069141.db2.gz ADYFCFVJQJLLSC-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000495438425 490076891 /nfs/dbraw/zinc/07/68/91/490076891.db2.gz GZRYJPHUEXBCIP-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815860 490089609 /nfs/dbraw/zinc/08/96/09/490089609.db2.gz YMWMXRBUPFWSED-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496395287 490115381 /nfs/dbraw/zinc/11/53/81/490115381.db2.gz PFKCOPFICLRLML-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496395287 490115384 /nfs/dbraw/zinc/11/53/84/490115384.db2.gz PFKCOPFICLRLML-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496395287 490115389 /nfs/dbraw/zinc/11/53/89/490115389.db2.gz PFKCOPFICLRLML-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000556174406 491300262 /nfs/dbraw/zinc/30/02/62/491300262.db2.gz KWOOOLDALSSJFU-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000556174406 491300264 /nfs/dbraw/zinc/30/02/64/491300264.db2.gz KWOOOLDALSSJFU-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000556174406 491300267 /nfs/dbraw/zinc/30/02/67/491300267.db2.gz KWOOOLDALSSJFU-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460151 490151796 /nfs/dbraw/zinc/15/17/96/490151796.db2.gz ZAFGTTFMMUEXCN-NVXWUHKLSA-N 2 1 366.506 0.322 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000556209284 491303344 /nfs/dbraw/zinc/30/33/44/491303344.db2.gz YXPFCBUFAGYYQN-KEYYUXOJSA-N 2 1 356.536 0.481 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000556209284 491303346 /nfs/dbraw/zinc/30/33/46/491303346.db2.gz YXPFCBUFAGYYQN-KEYYUXOJSA-N 2 1 356.536 0.481 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446288165 490158442 /nfs/dbraw/zinc/15/84/42/490158442.db2.gz NYPMYTILCQSSPA-SQGPQFPESA-N 2 1 366.550 0.909 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962436 490158622 /nfs/dbraw/zinc/15/86/22/490158622.db2.gz YTBNPLBNDVUFOW-DLBZAZTESA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962436 490158629 /nfs/dbraw/zinc/15/86/29/490158629.db2.gz YTBNPLBNDVUFOW-DLBZAZTESA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465962436 490158636 /nfs/dbraw/zinc/15/86/36/490158636.db2.gz YTBNPLBNDVUFOW-DLBZAZTESA-N 2 1 367.538 0.947 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000497509693 490169712 /nfs/dbraw/zinc/16/97/12/490169712.db2.gz XIRSZFVANHTIMR-QGZVFWFLSA-N 2 1 357.568 0.703 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466294434 490175942 /nfs/dbraw/zinc/17/59/42/490175942.db2.gz YYPBOHNAOXPUII-SJORKVTESA-N 2 1 365.522 0.890 20 0 FCADMP CN1CCC2(CC[NH+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)C1=O ZINC000447074770 490186440 /nfs/dbraw/zinc/18/64/40/490186440.db2.gz CSJFSSJFELRQPL-UHFFFAOYSA-N 2 1 358.490 0.673 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000497685982 490195251 /nfs/dbraw/zinc/19/52/51/490195251.db2.gz FHTMSHLWDOHLDV-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000497685982 490195256 /nfs/dbraw/zinc/19/52/56/490195256.db2.gz FHTMSHLWDOHLDV-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000497685982 490195260 /nfs/dbraw/zinc/19/52/60/490195260.db2.gz FHTMSHLWDOHLDV-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000507339524 490200397 /nfs/dbraw/zinc/20/03/97/490200397.db2.gz RQUHJRONMCUMHM-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000507339524 490200402 /nfs/dbraw/zinc/20/04/02/490200402.db2.gz RQUHJRONMCUMHM-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000466744357 490210032 /nfs/dbraw/zinc/21/00/32/490210032.db2.gz QKARPQIGYOWSAP-OAHLLOKOSA-N 2 1 356.511 0.402 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000521101965 490224349 /nfs/dbraw/zinc/22/43/49/490224349.db2.gz BNVPCKGBBJLDMT-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)C2([NH3+])CC2)CC1)Cc1ccccc1 ZINC000498157630 490264905 /nfs/dbraw/zinc/26/49/05/490264905.db2.gz QZKIFRFVBRFICK-UHFFFAOYSA-N 2 1 358.486 0.965 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507913161 490276450 /nfs/dbraw/zinc/27/64/50/490276450.db2.gz KAKHEWAMUILTIS-UHFFFAOYSA-N 2 1 367.494 0.146 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000521648964 490285529 /nfs/dbraw/zinc/28/55/29/490285529.db2.gz XBLHIIHZEJOAKC-OAHLLOKOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093979 490297873 /nfs/dbraw/zinc/29/78/73/490297873.db2.gz FKDQDUVSDFDLAS-HNNXBMFYSA-N 2 1 350.463 0.884 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483327009 490307707 /nfs/dbraw/zinc/30/77/07/490307707.db2.gz RLHNOGVMVATSDK-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483327009 490307714 /nfs/dbraw/zinc/30/77/14/490307714.db2.gz RLHNOGVMVATSDK-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)o3)C[C@H]2C1 ZINC000408371513 490317944 /nfs/dbraw/zinc/31/79/44/490317944.db2.gz CCJIXYVZFGYGPY-GEEKYZPCSA-N 2 1 372.469 0.547 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000467636812 490322337 /nfs/dbraw/zinc/32/23/37/490322337.db2.gz MSFBSPBQPCFDJC-INIZCTEOSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000522035615 490332756 /nfs/dbraw/zinc/33/27/56/490332756.db2.gz BJOBYHCFQMRCIX-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000522035615 490332759 /nfs/dbraw/zinc/33/27/59/490332759.db2.gz BJOBYHCFQMRCIX-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000522035615 490332765 /nfs/dbraw/zinc/33/27/65/490332765.db2.gz BJOBYHCFQMRCIX-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@@H](C)CN1C ZINC000408435777 490336358 /nfs/dbraw/zinc/33/63/58/490336358.db2.gz PNEYMONJPQOCOV-CABCVRRESA-N 2 1 367.519 0.547 20 0 FCADMP O=C(CCCc1ccccc1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000508590449 490340198 /nfs/dbraw/zinc/34/01/98/490340198.db2.gz WICYGVGUXJJZSC-UHFFFAOYSA-N 2 1 372.513 0.975 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498799606 490343362 /nfs/dbraw/zinc/34/33/62/490343362.db2.gz IFNHFRAWYIFUJD-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626052 491319439 /nfs/dbraw/zinc/31/94/39/491319439.db2.gz OZSVQCSVBUEUQS-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626052 491319440 /nfs/dbraw/zinc/31/94/40/491319440.db2.gz OZSVQCSVBUEUQS-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC1=O ZINC000522187721 490350941 /nfs/dbraw/zinc/35/09/41/490350941.db2.gz ZMKRZXZTRGYLSE-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000422487342 490353742 /nfs/dbraw/zinc/35/37/42/490353742.db2.gz HZEVFUZADMMPJZ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000422487342 490353745 /nfs/dbraw/zinc/35/37/45/490353745.db2.gz HZEVFUZADMMPJZ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487342 490353748 /nfs/dbraw/zinc/35/37/48/490353748.db2.gz HZEVFUZADMMPJZ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487342 490353751 /nfs/dbraw/zinc/35/37/51/490353751.db2.gz HZEVFUZADMMPJZ-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000498857790 490354313 /nfs/dbraw/zinc/35/43/13/490354313.db2.gz JOCJXJMZYTXJNX-QGZVFWFLSA-N 2 1 350.507 0.945 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000498857790 490354315 /nfs/dbraw/zinc/35/43/15/490354315.db2.gz JOCJXJMZYTXJNX-QGZVFWFLSA-N 2 1 350.507 0.945 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000498857790 490354319 /nfs/dbraw/zinc/35/43/19/490354319.db2.gz JOCJXJMZYTXJNX-QGZVFWFLSA-N 2 1 350.507 0.945 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564686854 491320596 /nfs/dbraw/zinc/32/05/96/491320596.db2.gz JOHMPBQKRYIFHL-OWCLPIDISA-N 2 1 366.506 0.369 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000564686854 491320598 /nfs/dbraw/zinc/32/05/98/491320598.db2.gz JOHMPBQKRYIFHL-OWCLPIDISA-N 2 1 366.506 0.369 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000564686854 491320600 /nfs/dbraw/zinc/32/06/00/491320600.db2.gz JOHMPBQKRYIFHL-OWCLPIDISA-N 2 1 366.506 0.369 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000498942351 490367136 /nfs/dbraw/zinc/36/71/36/490367136.db2.gz MFGLCNZGMGBNEQ-UHFFFAOYSA-N 2 1 350.507 0.993 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000522309423 490370261 /nfs/dbraw/zinc/37/02/61/490370261.db2.gz NCUGTBZCLNSMNQ-GDBMZVCRSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522309423 490370267 /nfs/dbraw/zinc/37/02/67/490370267.db2.gz NCUGTBZCLNSMNQ-GDBMZVCRSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522309423 490370271 /nfs/dbraw/zinc/37/02/71/490370271.db2.gz NCUGTBZCLNSMNQ-GDBMZVCRSA-N 2 1 351.495 0.465 20 0 FCADMP C[N@@H+](CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccc(F)cc1 ZINC000571658167 491321122 /nfs/dbraw/zinc/32/11/22/491321122.db2.gz WMXDUMHYTSFSKV-GOSISDBHSA-N 2 1 363.481 0.947 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000571652904 491321395 /nfs/dbraw/zinc/32/13/95/491321395.db2.gz BBEYMGJZLRZBKN-MRXNPFEDSA-N 2 1 365.478 0.171 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000571652904 491321397 /nfs/dbraw/zinc/32/13/97/491321397.db2.gz BBEYMGJZLRZBKN-MRXNPFEDSA-N 2 1 365.478 0.171 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000484129497 490387118 /nfs/dbraw/zinc/38/71/18/490387118.db2.gz HOTLYLUGEOIYFZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CN1CCO[C@H](C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000468484204 490408875 /nfs/dbraw/zinc/40/88/75/490408875.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 1 360.502 0.812 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411247872 490414781 /nfs/dbraw/zinc/41/47/81/490414781.db2.gz WMMHVHLMPWXYIH-UHFFFAOYSA-N 2 1 354.426 0.773 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918134 490424880 /nfs/dbraw/zinc/42/48/80/490424880.db2.gz WFTXMTLTHMJFHD-QYZOEREBSA-N 2 1 361.486 0.706 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918134 490424886 /nfs/dbraw/zinc/42/48/86/490424886.db2.gz WFTXMTLTHMJFHD-QYZOEREBSA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918134 490424893 /nfs/dbraw/zinc/42/48/93/490424893.db2.gz WFTXMTLTHMJFHD-QYZOEREBSA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000534918134 490424898 /nfs/dbraw/zinc/42/48/98/490424898.db2.gz WFTXMTLTHMJFHD-QYZOEREBSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000556666977 491326214 /nfs/dbraw/zinc/32/62/14/491326214.db2.gz YDDPRFRXNYWOBS-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428883 490462677 /nfs/dbraw/zinc/46/26/77/490462677.db2.gz ADGXFWYAXHBDPW-JKSUJKDBSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC(C)CC1 ZINC000523428880 490462698 /nfs/dbraw/zinc/46/26/98/490462698.db2.gz ADGXFWYAXHBDPW-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523481629 490468170 /nfs/dbraw/zinc/46/81/70/490468170.db2.gz HZNSCOASKCUNDU-CVEARBPZSA-N 2 1 355.527 0.959 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000509831475 490469035 /nfs/dbraw/zinc/46/90/35/490469035.db2.gz CBKWCCBYCJJWGL-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC1 ZINC000422754472 490471567 /nfs/dbraw/zinc/47/15/67/490471567.db2.gz FXRVFFGWHNTNMC-UHFFFAOYSA-N 2 1 354.476 0.594 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484908918 490477895 /nfs/dbraw/zinc/47/78/95/490477895.db2.gz RXRWGAPRSBGDKH-QWHCGFSZSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484908918 490477901 /nfs/dbraw/zinc/47/79/01/490477901.db2.gz RXRWGAPRSBGDKH-QWHCGFSZSA-N 2 1 351.447 0.998 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422836725 490482919 /nfs/dbraw/zinc/48/29/19/490482919.db2.gz RVPNUZAMMAMLIM-HZPDHXFCSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422836723 490483142 /nfs/dbraw/zinc/48/31/42/490483142.db2.gz RVPNUZAMMAMLIM-CVEARBPZSA-N 2 1 354.495 0.189 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)N2CCN(CC)CC2)CC[NH2+]CC1 ZINC000422857117 490486844 /nfs/dbraw/zinc/48/68/44/490486844.db2.gz GYALCSLUASNJKM-IRXDYDNUSA-N 2 1 354.539 0.923 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422883851 490491325 /nfs/dbraw/zinc/49/13/25/490491325.db2.gz VSQXFDYFFZLIDW-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422905211 490494454 /nfs/dbraw/zinc/49/44/54/490494454.db2.gz RQUSMHBBXAXVNH-CVEARBPZSA-N 2 1 354.495 0.333 20 0 FCADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000523914465 490503532 /nfs/dbraw/zinc/50/35/32/490503532.db2.gz HDXWNDQGJZGMOF-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000523914465 490503540 /nfs/dbraw/zinc/50/35/40/490503540.db2.gz HDXWNDQGJZGMOF-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000523914465 490503543 /nfs/dbraw/zinc/50/35/43/490503543.db2.gz HDXWNDQGJZGMOF-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000423000171 490515096 /nfs/dbraw/zinc/51/50/96/490515096.db2.gz YWFGPBPQKWMTKX-GDBMZVCRSA-N 2 1 355.504 0.777 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000556749638 491332858 /nfs/dbraw/zinc/33/28/58/491332858.db2.gz MWGQVUHKZYVRPJ-KZNAEPCWSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000556749638 491332861 /nfs/dbraw/zinc/33/28/61/491332861.db2.gz MWGQVUHKZYVRPJ-KZNAEPCWSA-N 2 1 368.522 0.776 20 0 FCADMP CCOC(=O)[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC12COC2 ZINC000451141290 490520009 /nfs/dbraw/zinc/52/00/09/490520009.db2.gz VEHYJWOWNXUFRJ-MRXNPFEDSA-N 2 1 365.474 0.241 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC12COC2 ZINC000451141290 490520014 /nfs/dbraw/zinc/52/00/14/490520014.db2.gz VEHYJWOWNXUFRJ-MRXNPFEDSA-N 2 1 365.474 0.241 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[C@H](C[NH+](C)C)C1)C2 ZINC000510478381 490520147 /nfs/dbraw/zinc/52/01/47/490520147.db2.gz ZRULVHLSINTGFK-MGNMYUMUSA-N 2 1 365.522 0.663 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473656 490520746 /nfs/dbraw/zinc/52/07/46/490520746.db2.gz RCQYMZXRMWIKFL-MJGOQNOKSA-N 2 1 352.523 0.772 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423037077 490525924 /nfs/dbraw/zinc/52/59/24/490525924.db2.gz MGSXILROLGNXHO-UHFFFAOYSA-N 2 1 360.502 0.817 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423033451 490526459 /nfs/dbraw/zinc/52/64/59/490526459.db2.gz GTHOUPYSMHFRBR-AEFFLSMTSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000485499878 490536043 /nfs/dbraw/zinc/53/60/43/490536043.db2.gz DRDOKNWBPRLWDV-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499878 490536048 /nfs/dbraw/zinc/53/60/48/490536048.db2.gz DRDOKNWBPRLWDV-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499878 490536054 /nfs/dbraw/zinc/53/60/54/490536054.db2.gz DRDOKNWBPRLWDV-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558356 490542408 /nfs/dbraw/zinc/54/24/08/490542408.db2.gz BVMHNBRECQCMKW-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558356 490542412 /nfs/dbraw/zinc/54/24/12/490542412.db2.gz BVMHNBRECQCMKW-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558356 490542414 /nfs/dbraw/zinc/54/24/14/490542414.db2.gz BVMHNBRECQCMKW-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000548800208 490542496 /nfs/dbraw/zinc/54/24/96/490542496.db2.gz IJCBDKDDMNBUNL-AQNXPRMDSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000548800208 490542499 /nfs/dbraw/zinc/54/24/99/490542499.db2.gz IJCBDKDDMNBUNL-AQNXPRMDSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000548800208 490542503 /nfs/dbraw/zinc/54/25/03/490542503.db2.gz IJCBDKDDMNBUNL-AQNXPRMDSA-N 2 1 372.513 0.376 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000485588030 490545801 /nfs/dbraw/zinc/54/58/01/490545801.db2.gz BJWDZVMHFJLDNC-UXLLHSPISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000485588030 490545803 /nfs/dbraw/zinc/54/58/03/490545803.db2.gz BJWDZVMHFJLDNC-UXLLHSPISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000485588030 490545806 /nfs/dbraw/zinc/54/58/06/490545806.db2.gz BJWDZVMHFJLDNC-UXLLHSPISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000485588030 490545811 /nfs/dbraw/zinc/54/58/11/490545811.db2.gz BJWDZVMHFJLDNC-UXLLHSPISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CCO1 ZINC000500783951 490553008 /nfs/dbraw/zinc/55/30/08/490553008.db2.gz MBPBMRSTDOLIMC-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830070 490562051 /nfs/dbraw/zinc/56/20/51/490562051.db2.gz MTJOQLDZGABUSO-JKSUJKDBSA-N 2 1 363.510 0.206 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000524907579 490568094 /nfs/dbraw/zinc/56/80/94/490568094.db2.gz UFYMQRHTEOSMFM-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000501172114 490586087 /nfs/dbraw/zinc/58/60/87/490586087.db2.gz GQKIDIQNLUKFCW-INIZCTEOSA-N 2 1 368.522 0.213 20 0 FCADMP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538261 490589211 /nfs/dbraw/zinc/58/92/11/490589211.db2.gz BSGVIAFYRLQGQO-VQTJNVASSA-N 2 1 371.529 0.481 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000525293438 490593232 /nfs/dbraw/zinc/59/32/32/490593232.db2.gz ZKCUWCGLFSTHCE-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000525293438 490593235 /nfs/dbraw/zinc/59/32/35/490593235.db2.gz ZKCUWCGLFSTHCE-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1=O ZINC000549720723 490596515 /nfs/dbraw/zinc/59/65/15/490596515.db2.gz PFTDNCGSHVCOJQ-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501519834 490611329 /nfs/dbraw/zinc/61/13/29/490611329.db2.gz CVKMKJZXWWFIQJ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000501519834 490611331 /nfs/dbraw/zinc/61/13/31/490611331.db2.gz CVKMKJZXWWFIQJ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576099 490617453 /nfs/dbraw/zinc/61/74/53/490617453.db2.gz GPWGXGLQQZKHEP-AABGKKOBSA-N 2 1 372.513 0.955 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576099 490617460 /nfs/dbraw/zinc/61/74/60/490617460.db2.gz GPWGXGLQQZKHEP-AABGKKOBSA-N 2 1 372.513 0.955 20 0 FCADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576099 490617467 /nfs/dbraw/zinc/61/74/67/490617467.db2.gz GPWGXGLQQZKHEP-AABGKKOBSA-N 2 1 372.513 0.955 20 0 FCADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576099 490617476 /nfs/dbraw/zinc/61/74/76/490617476.db2.gz GPWGXGLQQZKHEP-AABGKKOBSA-N 2 1 372.513 0.955 20 0 FCADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCOC ZINC000501600107 490620624 /nfs/dbraw/zinc/62/06/24/490620624.db2.gz GIZIKYRRDZLSMY-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP CCCCNC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702525 490623524 /nfs/dbraw/zinc/62/35/24/490623524.db2.gz PITIKFOVOKLFBV-HOTGVXAUSA-N 2 1 366.506 0.694 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486492492 490640155 /nfs/dbraw/zinc/64/01/55/490640155.db2.gz DTUHZQAGUIXKNX-MEXWJNSZSA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486492492 490640159 /nfs/dbraw/zinc/64/01/59/490640159.db2.gz DTUHZQAGUIXKNX-MEXWJNSZSA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486492492 490640166 /nfs/dbraw/zinc/64/01/66/490640166.db2.gz DTUHZQAGUIXKNX-MEXWJNSZSA-N 2 1 368.522 0.019 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000537159582 490654715 /nfs/dbraw/zinc/65/47/15/490654715.db2.gz ZWKWZUUUWNSHDD-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCCO1 ZINC000550324579 490661013 /nfs/dbraw/zinc/66/10/13/490661013.db2.gz WPODIKSGMPTWPG-OAHLLOKOSA-N 2 1 366.506 0.347 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000572028839 491343683 /nfs/dbraw/zinc/34/36/83/491343683.db2.gz HMTRIOQEIWQUHF-LSDHHAIUSA-N 2 1 353.438 0.742 20 0 FCADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)N1CCc2ccccc21 ZINC000512249187 490667547 /nfs/dbraw/zinc/66/75/47/490667547.db2.gz LYCIDMVWORXVCH-GOSISDBHSA-N 2 1 374.529 0.944 20 0 FCADMP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000486813799 490674093 /nfs/dbraw/zinc/67/40/93/490674093.db2.gz RGILJOGEFVGLOK-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000486813800 490674311 /nfs/dbraw/zinc/67/43/11/490674311.db2.gz RGILJOGEFVGLOK-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000512389130 490678688 /nfs/dbraw/zinc/67/86/88/490678688.db2.gz GGRKSUAZXRYSMG-WOJBJXKFSA-N 2 1 374.529 0.938 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043863 491347736 /nfs/dbraw/zinc/34/77/36/491347736.db2.gz IPKBIEKMSWWSQH-LSDHHAIUSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n1 ZINC000565043863 491347739 /nfs/dbraw/zinc/34/77/39/491347739.db2.gz IPKBIEKMSWWSQH-LSDHHAIUSA-N 2 1 358.450 0.303 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000538043193 490706365 /nfs/dbraw/zinc/70/63/65/490706365.db2.gz FACLIHZMXHNFHD-KBPBESRZSA-N 2 1 356.467 0.162 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487596802 490721054 /nfs/dbraw/zinc/72/10/54/490721054.db2.gz KJKZNZVYPYZBKE-SJORKVTESA-N 2 1 356.511 0.632 20 0 FCADMP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC000527447035 490725096 /nfs/dbraw/zinc/72/50/96/490725096.db2.gz FDNYYQLIXKWACW-JYJNAYRXSA-N 2 1 352.458 0.726 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000502915762 490730031 /nfs/dbraw/zinc/73/00/31/490730031.db2.gz BNKAKGVSTSDSAX-ULQDDVLXSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000502915762 490730033 /nfs/dbraw/zinc/73/00/33/490730033.db2.gz BNKAKGVSTSDSAX-ULQDDVLXSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000502915762 490730034 /nfs/dbraw/zinc/73/00/34/490730034.db2.gz BNKAKGVSTSDSAX-ULQDDVLXSA-N 2 1 356.511 0.584 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000557050180 491351015 /nfs/dbraw/zinc/35/10/15/491351015.db2.gz NCXCTTKCUZOTND-UHFFFAOYSA-N 2 1 361.446 0.454 20 0 FCADMP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882899 490752780 /nfs/dbraw/zinc/75/27/80/490752780.db2.gz RQNLRSPDWYSIDL-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882899 490752783 /nfs/dbraw/zinc/75/27/83/490752783.db2.gz RQNLRSPDWYSIDL-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COc1cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1OCCO ZINC000514150130 490764334 /nfs/dbraw/zinc/76/43/34/490764334.db2.gz XOVICJFLXSKWGG-OAHLLOKOSA-N 2 1 365.474 0.881 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000488618719 490767806 /nfs/dbraw/zinc/76/78/06/490767806.db2.gz GQXDFTZXZSJZDF-VQIMIIECSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488618719 490767808 /nfs/dbraw/zinc/76/78/08/490767808.db2.gz GQXDFTZXZSJZDF-VQIMIIECSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000488618719 490767810 /nfs/dbraw/zinc/76/78/10/490767810.db2.gz GQXDFTZXZSJZDF-VQIMIIECSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122224 491354594 /nfs/dbraw/zinc/35/45/94/491354594.db2.gz QHTCZRRSNWNZEH-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000488842609 490778120 /nfs/dbraw/zinc/77/81/20/490778120.db2.gz XBDGLXCUNASOHI-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000488842609 490778122 /nfs/dbraw/zinc/77/81/22/490778122.db2.gz XBDGLXCUNASOHI-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663236 490779826 /nfs/dbraw/zinc/77/98/26/490779826.db2.gz HZUGRZLEGQFEDN-CABCVRRESA-N 2 1 359.465 0.795 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000514682659 490781949 /nfs/dbraw/zinc/78/19/49/490781949.db2.gz UJLKIIMZNAGZKL-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514925115 490798190 /nfs/dbraw/zinc/79/81/90/490798190.db2.gz JNJDOJNWZZYTBN-MSOLQXFVSA-N 2 1 362.474 0.565 20 0 FCADMP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000514938575 490799265 /nfs/dbraw/zinc/79/92/65/490799265.db2.gz MIBKLBVVUPFUBY-BQFCYCMXSA-N 2 1 373.457 0.633 20 0 FCADMP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000514938575 490799267 /nfs/dbraw/zinc/79/92/67/490799267.db2.gz MIBKLBVVUPFUBY-BQFCYCMXSA-N 2 1 373.457 0.633 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000515075229 490807788 /nfs/dbraw/zinc/80/77/88/490807788.db2.gz OOKYFOOHHGLTIA-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000515075229 490807791 /nfs/dbraw/zinc/80/77/91/490807791.db2.gz OOKYFOOHHGLTIA-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC000540386409 490820472 /nfs/dbraw/zinc/82/04/72/490820472.db2.gz YYXIBKDPRRQDJS-HNNXBMFYSA-N 2 1 370.494 0.376 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC000540386409 490820475 /nfs/dbraw/zinc/82/04/75/490820475.db2.gz YYXIBKDPRRQDJS-HNNXBMFYSA-N 2 1 370.494 0.376 20 0 FCADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000515525849 490830492 /nfs/dbraw/zinc/83/04/92/490830492.db2.gz KTLUIEROPLHNKX-HNNXBMFYSA-N 2 1 361.446 0.323 20 0 FCADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000515525849 490830493 /nfs/dbraw/zinc/83/04/93/490830493.db2.gz KTLUIEROPLHNKX-HNNXBMFYSA-N 2 1 361.446 0.323 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515620981 490833569 /nfs/dbraw/zinc/83/35/69/490833569.db2.gz RGPJSKSUOSDBOB-NUJGCVRESA-N 2 1 365.522 0.615 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529359918 490856099 /nfs/dbraw/zinc/85/60/99/490856099.db2.gz QUHBSTCXICICGG-INIZCTEOSA-N 2 1 365.522 0.857 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529359918 490856101 /nfs/dbraw/zinc/85/61/01/490856101.db2.gz QUHBSTCXICICGG-INIZCTEOSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000557249895 491362305 /nfs/dbraw/zinc/36/23/05/491362305.db2.gz JHGHLJQJELNFTL-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878200 490882702 /nfs/dbraw/zinc/88/27/02/490882702.db2.gz BXLDBNLYHZVUCS-CABCVRRESA-N 2 1 369.425 0.592 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878200 490882704 /nfs/dbraw/zinc/88/27/04/490882704.db2.gz BXLDBNLYHZVUCS-CABCVRRESA-N 2 1 369.425 0.592 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000517027331 490891337 /nfs/dbraw/zinc/89/13/37/490891337.db2.gz IMKKSPUJSXQAIO-DLBZAZTESA-N 2 1 360.458 0.067 20 0 FCADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000530231207 490894685 /nfs/dbraw/zinc/89/46/85/490894685.db2.gz GGRXVTDVTWGUPD-QGZVFWFLSA-N 2 1 362.474 0.408 20 0 FCADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000530231207 490894687 /nfs/dbraw/zinc/89/46/87/490894687.db2.gz GGRXVTDVTWGUPD-QGZVFWFLSA-N 2 1 362.474 0.408 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000517157821 490896710 /nfs/dbraw/zinc/89/67/10/490896710.db2.gz VZSCRVRSUSIBMC-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)CC2)CC1 ZINC000517173289 490897681 /nfs/dbraw/zinc/89/76/81/490897681.db2.gz WCPLZTOITXFCFF-CJNGLKHVSA-N 2 1 355.479 0.221 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000517595856 490913972 /nfs/dbraw/zinc/91/39/72/490913972.db2.gz JZJGEQMTHQLCDT-CVEARBPZSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000517595856 490913974 /nfs/dbraw/zinc/91/39/74/490913974.db2.gz JZJGEQMTHQLCDT-CVEARBPZSA-N 2 1 367.538 0.959 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000530710711 490920233 /nfs/dbraw/zinc/92/02/33/490920233.db2.gz JWCMGWJBFQTGCH-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000530710711 490920235 /nfs/dbraw/zinc/92/02/35/490920235.db2.gz JWCMGWJBFQTGCH-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000517821308 490922522 /nfs/dbraw/zinc/92/25/22/490922522.db2.gz RRQUPTKONPAECT-CVEARBPZSA-N 2 1 353.511 0.761 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000565255347 491366297 /nfs/dbraw/zinc/36/62/97/491366297.db2.gz RRZGZGMFZMQXHO-DLBZAZTESA-N 2 1 359.474 0.592 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970588 490957464 /nfs/dbraw/zinc/95/74/64/490957464.db2.gz JAUNKWXJDODRMB-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000518970588 490957465 /nfs/dbraw/zinc/95/74/65/490957465.db2.gz JAUNKWXJDODRMB-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000518970588 490957467 /nfs/dbraw/zinc/95/74/67/490957467.db2.gz JAUNKWXJDODRMB-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000519007607 490958758 /nfs/dbraw/zinc/95/87/58/490958758.db2.gz ZITDXTLCYVSLMP-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000519238045 490966303 /nfs/dbraw/zinc/96/63/03/490966303.db2.gz LAVCRSJRTARIIE-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000519360709 490969508 /nfs/dbraw/zinc/96/95/08/490969508.db2.gz RPTZGHODAWRUOG-KZNAEPCWSA-N 2 1 365.522 0.319 20 0 FCADMP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000544502727 490970278 /nfs/dbraw/zinc/97/02/78/490970278.db2.gz NFNSFGLCWQBLMW-HNNXBMFYSA-N 2 1 356.511 0.354 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000519435385 490972346 /nfs/dbraw/zinc/97/23/46/490972346.db2.gz NYCIKROOKWPUDH-KRWDZBQOSA-N 2 1 356.536 0.483 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000519640526 490981052 /nfs/dbraw/zinc/98/10/52/490981052.db2.gz DKESJCPSXQYNIH-DOTOQJQBSA-N 2 1 366.531 0.840 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000544784873 490981297 /nfs/dbraw/zinc/98/12/97/490981297.db2.gz IYLUNVLFWCMSOX-SFHVURJKSA-N 2 1 352.523 0.367 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310783 491916460 /nfs/dbraw/zinc/91/64/60/491916460.db2.gz FKIBARZMWWSKIP-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CSC1(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000569518919 491166012 /nfs/dbraw/zinc/16/60/12/491166012.db2.gz YEYRTICSDFUGGY-INIZCTEOSA-N 2 1 371.595 0.997 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000569576998 491170171 /nfs/dbraw/zinc/17/01/71/491170171.db2.gz UEEWKJWQQKRYHI-VNQPRFMTSA-N 2 1 361.442 0.970 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000569576998 491170173 /nfs/dbraw/zinc/17/01/73/491170173.db2.gz UEEWKJWQQKRYHI-VNQPRFMTSA-N 2 1 361.442 0.970 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000554029323 491170822 /nfs/dbraw/zinc/17/08/22/491170822.db2.gz GKDCGXIPDJVQFP-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000554042689 491172449 /nfs/dbraw/zinc/17/24/49/491172449.db2.gz BYWRBUIBDSJSTC-KLHDSHLOSA-N 2 1 354.495 0.201 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000562770218 491187274 /nfs/dbraw/zinc/18/72/74/491187274.db2.gz GRXDHZXNFDLCTI-UHFFFAOYSA-N 2 1 351.480 0.057 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000557381293 491371407 /nfs/dbraw/zinc/37/14/07/491371407.db2.gz IWZGBOBPAQHTOG-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000557381293 491371409 /nfs/dbraw/zinc/37/14/09/491371409.db2.gz IWZGBOBPAQHTOG-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000557381293 491371411 /nfs/dbraw/zinc/37/14/11/491371411.db2.gz IWZGBOBPAQHTOG-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H]1C ZINC000557491038 491377489 /nfs/dbraw/zinc/37/74/89/491377489.db2.gz FRRKNOQPFJENLW-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H]1C ZINC000557491038 491377491 /nfs/dbraw/zinc/37/74/91/491377491.db2.gz FRRKNOQPFJENLW-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000557560765 491382929 /nfs/dbraw/zinc/38/29/29/491382929.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000557560765 491382930 /nfs/dbraw/zinc/38/29/30/491382930.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000557560765 491382934 /nfs/dbraw/zinc/38/29/34/491382934.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000557560765 491382936 /nfs/dbraw/zinc/38/29/36/491382936.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000557560765 491382938 /nfs/dbraw/zinc/38/29/38/491382938.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 2 1 367.538 0.070 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000557740685 491395364 /nfs/dbraw/zinc/39/53/64/491395364.db2.gz AKCPWYCLBXRVJB-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000557740685 491395367 /nfs/dbraw/zinc/39/53/67/491395367.db2.gz AKCPWYCLBXRVJB-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1C ZINC000557748369 491395888 /nfs/dbraw/zinc/39/58/88/491395888.db2.gz JUQASJMVSYMTDZ-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000557748369 491395892 /nfs/dbraw/zinc/39/58/92/491395892.db2.gz JUQASJMVSYMTDZ-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748369 491395894 /nfs/dbraw/zinc/39/58/94/491395894.db2.gz JUQASJMVSYMTDZ-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748369 491395896 /nfs/dbraw/zinc/39/58/96/491395896.db2.gz JUQASJMVSYMTDZ-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP O=C1CCc2cc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]3CCCC3)ccc2N1 ZINC000572841740 491396644 /nfs/dbraw/zinc/39/66/44/491396644.db2.gz ARUBYBQPTVZTJJ-JKSUJKDBSA-N 2 1 363.458 0.357 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H](C)C1 ZINC000573102921 491412936 /nfs/dbraw/zinc/41/29/36/491412936.db2.gz RBSNOBZYFHYIMY-JKSUJKDBSA-N 2 1 356.511 0.260 20 0 FCADMP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)C1=O ZINC000566137548 491419702 /nfs/dbraw/zinc/41/97/02/491419702.db2.gz YNYLROUGYRRGSD-HUUCEWRRSA-N 2 1 354.520 0.235 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000558217561 491420890 /nfs/dbraw/zinc/42/08/90/491420890.db2.gz JWEYWICOWQLZTO-IEBWSBKVSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000558217561 491420892 /nfs/dbraw/zinc/42/08/92/491420892.db2.gz JWEYWICOWQLZTO-IEBWSBKVSA-N 2 1 372.513 0.972 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573346512 491428239 /nfs/dbraw/zinc/42/82/39/491428239.db2.gz DZEBSDPKAFMWHJ-BBWFWOEESA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000566236858 491428779 /nfs/dbraw/zinc/42/87/79/491428779.db2.gz CEFSDMFFNAFHHB-CRAIPNDOSA-N 2 1 358.486 0.919 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000573428508 491432669 /nfs/dbraw/zinc/43/26/69/491432669.db2.gz OVHAHULDXXSERC-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000573590433 491442543 /nfs/dbraw/zinc/44/25/43/491442543.db2.gz PZDDHZFKJUHXAB-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000573590433 491442545 /nfs/dbraw/zinc/44/25/45/491442545.db2.gz PZDDHZFKJUHXAB-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000573590433 491442546 /nfs/dbraw/zinc/44/25/46/491442546.db2.gz PZDDHZFKJUHXAB-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000573590433 491442548 /nfs/dbraw/zinc/44/25/48/491442548.db2.gz PZDDHZFKJUHXAB-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566432782 491443309 /nfs/dbraw/zinc/44/33/09/491443309.db2.gz IWSKSYXHIIDLCT-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566432782 491443311 /nfs/dbraw/zinc/44/33/11/491443311.db2.gz IWSKSYXHIIDLCT-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](CO)OC[C@@H]3C)CC2)CC1 ZINC000566439721 491443828 /nfs/dbraw/zinc/44/38/28/491443828.db2.gz LTWIICXWMMMWAI-YJBOKZPZSA-N 2 1 353.507 0.791 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000573724060 491450563 /nfs/dbraw/zinc/45/05/63/491450563.db2.gz NTETYZAYJKMCRQ-XOXIHOGGSA-N 2 1 362.518 0.714 20 0 FCADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000566618212 491456307 /nfs/dbraw/zinc/45/63/07/491456307.db2.gz YJPRHIDAXOHOEC-WTGUMLROSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000566618212 491456308 /nfs/dbraw/zinc/45/63/08/491456308.db2.gz YJPRHIDAXOHOEC-WTGUMLROSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000566618212 491456309 /nfs/dbraw/zinc/45/63/09/491456309.db2.gz YJPRHIDAXOHOEC-WTGUMLROSA-N 2 1 370.582 0.540 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566728280 491462750 /nfs/dbraw/zinc/46/27/50/491462750.db2.gz VHPIWHHZRUBSCW-SJORKVTESA-N 2 1 359.474 0.634 20 0 FCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331294 491465373 /nfs/dbraw/zinc/46/53/73/491465373.db2.gz LMBGWKMWFXXPQI-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331294 491465374 /nfs/dbraw/zinc/46/53/74/491465374.db2.gz LMBGWKMWFXXPQI-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C[NH+]1CCOCC1 ZINC000559358201 491467127 /nfs/dbraw/zinc/46/71/27/491467127.db2.gz HWJWAHMCPVBBNR-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000559361261 491467445 /nfs/dbraw/zinc/46/74/45/491467445.db2.gz KIOPHHGMABIKRU-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000559439970 491473022 /nfs/dbraw/zinc/47/30/22/491473022.db2.gz DGFOBZGEOUFPTK-QGZVFWFLSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559439970 491473025 /nfs/dbraw/zinc/47/30/25/491473025.db2.gz DGFOBZGEOUFPTK-QGZVFWFLSA-N 2 1 368.522 0.260 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000559445300 491473953 /nfs/dbraw/zinc/47/39/53/491473953.db2.gz DCZSVFRWSAQIDC-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C(N)=O)nc3)CC2)CC1 ZINC000574098954 491474617 /nfs/dbraw/zinc/47/46/17/491474617.db2.gz VRQZSJZRIAEVKB-UHFFFAOYSA-N 2 1 373.501 0.993 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000559464564 491475285 /nfs/dbraw/zinc/47/52/85/491475285.db2.gz FIJBPDDEWVXCHG-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000559464564 491475286 /nfs/dbraw/zinc/47/52/86/491475286.db2.gz FIJBPDDEWVXCHG-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000559464564 491475287 /nfs/dbraw/zinc/47/52/87/491475287.db2.gz FIJBPDDEWVXCHG-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1(C)C ZINC000559461672 491475421 /nfs/dbraw/zinc/47/54/21/491475421.db2.gz USILVIUHFXEGKQ-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000574215989 491482016 /nfs/dbraw/zinc/48/20/16/491482016.db2.gz VHDJHBJZMGHXMQ-QGZVFWFLSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389128 493345928 /nfs/dbraw/zinc/34/59/28/493345928.db2.gz ROWSXJCYYZEXCF-CVEARBPZSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668389128 493345929 /nfs/dbraw/zinc/34/59/29/493345929.db2.gz ROWSXJCYYZEXCF-CVEARBPZSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668389128 493345931 /nfs/dbraw/zinc/34/59/31/493345931.db2.gz ROWSXJCYYZEXCF-CVEARBPZSA-N 2 1 368.522 0.448 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000574308188 491488024 /nfs/dbraw/zinc/48/80/24/491488024.db2.gz QPJSVKDGVDQJMR-KRWDZBQOSA-N 2 1 367.538 0.058 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000559758814 491496521 /nfs/dbraw/zinc/49/65/21/491496521.db2.gz LNRAWCCSTIKTEM-UHFFFAOYSA-N 2 1 365.478 0.267 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574511048 491501704 /nfs/dbraw/zinc/50/17/04/491501704.db2.gz RSTBQFYOYQKMLN-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000567368995 491502418 /nfs/dbraw/zinc/50/24/18/491502418.db2.gz NSUWCMXVHCPQQS-XUWVNRHRSA-N 2 1 365.522 0.696 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000559862370 491505611 /nfs/dbraw/zinc/50/56/11/491505611.db2.gz LBEFEVPMQJYJRN-YJBOKZPZSA-N 2 1 370.563 0.730 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000559862364 491505877 /nfs/dbraw/zinc/50/58/77/491505877.db2.gz LBEFEVPMQJYJRN-MAUKXSAKSA-N 2 1 370.563 0.730 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000559867247 491506119 /nfs/dbraw/zinc/50/61/19/491506119.db2.gz FVVDNOBOPOOYNH-MAUKXSAKSA-N 2 1 368.547 0.673 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@H]3C(=O)OC)CC2)CC1 ZINC000574701507 491514677 /nfs/dbraw/zinc/51/46/77/491514677.db2.gz DMUZMSDMUFAJPB-KRWDZBQOSA-N 2 1 367.490 0.583 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000560015405 491514885 /nfs/dbraw/zinc/51/48/85/491514885.db2.gz GQEBOOZAIDRSDR-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000567734698 491526015 /nfs/dbraw/zinc/52/60/15/491526015.db2.gz UQSRQNUBJJXYGX-OAHLLOKOSA-N 2 1 361.442 0.080 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000567901885 491539876 /nfs/dbraw/zinc/53/98/76/491539876.db2.gz VEFIAGRPGFSVHS-IRXDYDNUSA-N 2 1 366.506 0.206 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000567994157 491545673 /nfs/dbraw/zinc/54/56/73/491545673.db2.gz FBLGKGSSGABSQF-MRXNPFEDSA-N 2 1 352.523 0.366 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000568009017 491547269 /nfs/dbraw/zinc/54/72/69/491547269.db2.gz SXCVVWSPHBISML-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC(C)CC1 ZINC000560763096 491555597 /nfs/dbraw/zinc/55/55/97/491555597.db2.gz LOESDANNJKWLQI-HZPDHXFCSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000560883882 491561504 /nfs/dbraw/zinc/56/15/04/491561504.db2.gz FZVUQJHOLDEQAU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000560883882 491561505 /nfs/dbraw/zinc/56/15/05/491561505.db2.gz FZVUQJHOLDEQAU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575902760 491569303 /nfs/dbraw/zinc/56/93/03/491569303.db2.gz XNFOGCLDJMDKDJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000568392638 491574006 /nfs/dbraw/zinc/57/40/06/491574006.db2.gz RWYJHNGQISWODU-JTQLQIEISA-N 2 1 352.357 0.062 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000568392638 491574009 /nfs/dbraw/zinc/57/40/09/491574009.db2.gz RWYJHNGQISWODU-JTQLQIEISA-N 2 1 352.357 0.062 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000568489202 491580068 /nfs/dbraw/zinc/58/00/68/491580068.db2.gz IGYLKMBWYOCAQO-KRWDZBQOSA-N 2 1 359.474 0.611 20 0 FCADMP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561188102 491581470 /nfs/dbraw/zinc/58/14/70/491581470.db2.gz ZKANEOKPGGEVPW-FUHWJXTLSA-N 2 1 373.501 0.628 20 0 FCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000568512887 491581666 /nfs/dbraw/zinc/58/16/66/491581666.db2.gz PEQFGMXUPGCHHN-WBVHZDCISA-N 2 1 368.522 0.437 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000568541693 491585394 /nfs/dbraw/zinc/58/53/94/491585394.db2.gz QWHMHIWUAKVNTH-MRXNPFEDSA-N 2 1 365.478 0.267 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1ccnn1C ZINC000576176202 491589534 /nfs/dbraw/zinc/58/95/34/491589534.db2.gz CXHYESFOAQMDGK-INIZCTEOSA-N 2 1 351.495 0.811 20 0 FCADMP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC000584438749 491591928 /nfs/dbraw/zinc/59/19/28/491591928.db2.gz NIRHZNYXFQOCFY-KRWDZBQOSA-N 2 1 355.479 0.344 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561285504 491594603 /nfs/dbraw/zinc/59/46/03/491594603.db2.gz XXGSHYOXGWWDPC-DOTOQJQBSA-N 2 1 359.474 0.380 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635270 491595596 /nfs/dbraw/zinc/59/55/96/491595596.db2.gz XAMGTQYKADOESZ-MDZRGWNJSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[N@@H+]1CCOC ZINC000568633379 491595605 /nfs/dbraw/zinc/59/56/05/491595605.db2.gz JDCPFIYOKBOBRW-JKSUJKDBSA-N 2 1 364.494 0.603 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[N@H+]1CCOC ZINC000568633379 491595608 /nfs/dbraw/zinc/59/56/08/491595608.db2.gz JDCPFIYOKBOBRW-JKSUJKDBSA-N 2 1 364.494 0.603 20 0 FCADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661644 493354104 /nfs/dbraw/zinc/35/41/04/493354104.db2.gz JZEJOBOPQPGAKT-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673661644 493354107 /nfs/dbraw/zinc/35/41/07/493354107.db2.gz JZEJOBOPQPGAKT-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673661644 493354110 /nfs/dbraw/zinc/35/41/10/493354110.db2.gz JZEJOBOPQPGAKT-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576396288 491611495 /nfs/dbraw/zinc/61/14/95/491611495.db2.gz DEWMYLKZVSTAEF-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576396288 491611497 /nfs/dbraw/zinc/61/14/97/491611497.db2.gz DEWMYLKZVSTAEF-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000576415690 491613284 /nfs/dbraw/zinc/61/32/84/491613284.db2.gz MWJQLWGXZYLJLT-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000576415690 491613289 /nfs/dbraw/zinc/61/32/89/491613289.db2.gz MWJQLWGXZYLJLT-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000576458646 491616002 /nfs/dbraw/zinc/61/60/02/491616002.db2.gz XPBHZPVDLFHFKZ-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCCC1 ZINC000561652458 491622955 /nfs/dbraw/zinc/62/29/55/491622955.db2.gz KQDUKUPZVRMEGE-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC000577471586 491624226 /nfs/dbraw/zinc/62/42/26/491624226.db2.gz HWZMFRHIIBIQKA-ZBFHGGJFSA-N 2 1 364.490 0.871 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008762 491627259 /nfs/dbraw/zinc/62/72/59/491627259.db2.gz YOGFCQKEWQSGLA-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745874 491628381 /nfs/dbraw/zinc/62/83/81/491628381.db2.gz CEECOHCXTXZGHS-HZMVEIRTSA-N 2 1 350.507 0.585 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000576626616 491631288 /nfs/dbraw/zinc/63/12/88/491631288.db2.gz AKZGQXSBPMVDIW-HOTGVXAUSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000576626616 491631290 /nfs/dbraw/zinc/63/12/90/491631290.db2.gz AKZGQXSBPMVDIW-HOTGVXAUSA-N 2 1 354.495 0.143 20 0 FCADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703534 491637559 /nfs/dbraw/zinc/63/75/59/491637559.db2.gz JYZQOCDISXXDKP-HZPDHXFCSA-N 2 1 366.458 0.837 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724958 491646060 /nfs/dbraw/zinc/64/60/60/491646060.db2.gz RHLMNFYTEVPABN-SJORKVTESA-N 2 1 365.522 0.572 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000569251166 491646129 /nfs/dbraw/zinc/64/61/29/491646129.db2.gz JPCGDCXKOSKXMA-ZBFHGGJFSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569251166 491646132 /nfs/dbraw/zinc/64/61/32/491646132.db2.gz JPCGDCXKOSKXMA-ZBFHGGJFSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000569251166 491646134 /nfs/dbraw/zinc/64/61/34/491646134.db2.gz JPCGDCXKOSKXMA-ZBFHGGJFSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000577740741 491647840 /nfs/dbraw/zinc/64/78/40/491647840.db2.gz QIOZZMDEGFMDRB-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849740 491650650 /nfs/dbraw/zinc/65/06/50/491650650.db2.gz DJPBWHOLFRYOLJ-BSDSXHPESA-N 2 1 374.460 0.822 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000569316481 491651451 /nfs/dbraw/zinc/65/14/51/491651451.db2.gz MFUDNCHFDPNTJY-INIZCTEOSA-N 2 1 361.490 0.989 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000569316481 491651453 /nfs/dbraw/zinc/65/14/53/491651453.db2.gz MFUDNCHFDPNTJY-INIZCTEOSA-N 2 1 361.490 0.989 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000569364304 491656353 /nfs/dbraw/zinc/65/63/53/491656353.db2.gz JOTTVLMRWXGMMJ-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000569364304 491656354 /nfs/dbraw/zinc/65/63/54/491656354.db2.gz JOTTVLMRWXGMMJ-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965458 491661016 /nfs/dbraw/zinc/66/10/16/491661016.db2.gz GTTDZWSHOHLOTP-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965458 491661020 /nfs/dbraw/zinc/66/10/20/491661020.db2.gz GTTDZWSHOHLOTP-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000578062308 491669025 /nfs/dbraw/zinc/66/90/25/491669025.db2.gz SEYDTAAQXACTCM-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000578062308 491669026 /nfs/dbraw/zinc/66/90/26/491669026.db2.gz SEYDTAAQXACTCM-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000578213965 491672437 /nfs/dbraw/zinc/67/24/37/491672437.db2.gz GGFLGNURWDXSEB-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000578213965 491672438 /nfs/dbraw/zinc/67/24/38/491672438.db2.gz GGFLGNURWDXSEB-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000578253680 491673395 /nfs/dbraw/zinc/67/33/95/491673395.db2.gz MJHDOOPCBLZNMX-IRXDYDNUSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000578253680 491673396 /nfs/dbraw/zinc/67/33/96/491673396.db2.gz MJHDOOPCBLZNMX-IRXDYDNUSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000578334099 491674906 /nfs/dbraw/zinc/67/49/06/491674906.db2.gz XTINEHXGSAOKSF-AWEZNQCLSA-N 2 1 351.520 0.699 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000578334099 491674907 /nfs/dbraw/zinc/67/49/07/491674907.db2.gz XTINEHXGSAOKSF-AWEZNQCLSA-N 2 1 351.520 0.699 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000578497675 491678438 /nfs/dbraw/zinc/67/84/38/491678438.db2.gz UDRFUPNGAODJLF-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)CC2 ZINC000578633360 491681413 /nfs/dbraw/zinc/68/14/13/491681413.db2.gz LMGDRTIDUVDBSR-DOTOQJQBSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000578633360 491681414 /nfs/dbraw/zinc/68/14/14/491681414.db2.gz LMGDRTIDUVDBSR-DOTOQJQBSA-N 2 1 359.474 0.519 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000578668073 491682052 /nfs/dbraw/zinc/68/20/52/491682052.db2.gz OTCANULMMLTPSQ-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2F)CC1 ZINC000578890386 491686653 /nfs/dbraw/zinc/68/66/53/491686653.db2.gz LILCMNCKOZQAGR-INIZCTEOSA-N 2 1 363.481 0.601 20 0 FCADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579099285 491690813 /nfs/dbraw/zinc/69/08/13/491690813.db2.gz PNYMABHOHFTBLR-SJLPKXTDSA-N 2 1 373.501 0.855 20 0 FCADMP NC(=O)NC(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000579112126 491691225 /nfs/dbraw/zinc/69/12/25/491691225.db2.gz APHIXEJALITHHS-OAHLLOKOSA-N 2 1 361.446 0.059 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)CC2)cc1 ZINC000579293717 491694849 /nfs/dbraw/zinc/69/48/49/491694849.db2.gz SNMXZVXVAWYALV-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCO)C[C@H](C)O)CC2)cc1 ZINC000579293717 491694850 /nfs/dbraw/zinc/69/48/50/491694850.db2.gz SNMXZVXVAWYALV-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCO)C[C@H](C)O)CC2)cc1 ZINC000579293717 491694851 /nfs/dbraw/zinc/69/48/51/491694851.db2.gz SNMXZVXVAWYALV-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCO)C[C@H](C)O)CC2)cc1 ZINC000579293717 491694852 /nfs/dbraw/zinc/69/48/52/491694852.db2.gz SNMXZVXVAWYALV-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000579453788 491698191 /nfs/dbraw/zinc/69/81/91/491698191.db2.gz UBLKHKSOLIQDST-MXSMSXNCSA-N 2 1 362.518 0.966 20 0 FCADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000579692575 491703103 /nfs/dbraw/zinc/70/31/03/491703103.db2.gz HCVAROWZZIHGRF-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930077 491709319 /nfs/dbraw/zinc/70/93/19/491709319.db2.gz QESNOVPJNGBRCZ-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579930077 491709320 /nfs/dbraw/zinc/70/93/20/491709320.db2.gz QESNOVPJNGBRCZ-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579930077 491709321 /nfs/dbraw/zinc/70/93/21/491709321.db2.gz QESNOVPJNGBRCZ-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000579928002 491709326 /nfs/dbraw/zinc/70/93/26/491709326.db2.gz PORWFCZQPWFPET-UHFFFAOYSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936421 491710226 /nfs/dbraw/zinc/71/02/26/491710226.db2.gz NGIXQMDAILKGTJ-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936421 491710228 /nfs/dbraw/zinc/71/02/28/491710228.db2.gz NGIXQMDAILKGTJ-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000580006180 491713446 /nfs/dbraw/zinc/71/34/46/491713446.db2.gz OOODIOQGGBMAOA-CVEARBPZSA-N 2 1 350.507 0.991 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584770573 491713482 /nfs/dbraw/zinc/71/34/82/491713482.db2.gz VFWKOPXNVHMCGM-SJORKVTESA-N 2 1 353.511 0.224 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000580062311 491715335 /nfs/dbraw/zinc/71/53/35/491715335.db2.gz DOAWSAKRIVZLTL-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584807887 491715426 /nfs/dbraw/zinc/71/54/26/491715426.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715428 /nfs/dbraw/zinc/71/54/28/491715428.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715430 /nfs/dbraw/zinc/71/54/30/491715430.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000580125458 491718671 /nfs/dbraw/zinc/71/86/71/491718671.db2.gz KWUZZPCOGZUHAT-FMKPAKJESA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000588294724 491743840 /nfs/dbraw/zinc/74/38/40/491743840.db2.gz IJIMBXDMBCXGRW-INIZCTEOSA-N 2 1 355.527 0.959 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000588294724 491743841 /nfs/dbraw/zinc/74/38/41/491743841.db2.gz IJIMBXDMBCXGRW-INIZCTEOSA-N 2 1 355.527 0.959 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000588294724 491743842 /nfs/dbraw/zinc/74/38/42/491743842.db2.gz IJIMBXDMBCXGRW-INIZCTEOSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000580861051 491749499 /nfs/dbraw/zinc/74/94/99/491749499.db2.gz RBVNYHJCEGZLEF-OWCLPIDISA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000580861051 491749500 /nfs/dbraw/zinc/74/95/00/491749500.db2.gz RBVNYHJCEGZLEF-OWCLPIDISA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000580861051 491749501 /nfs/dbraw/zinc/74/95/01/491749501.db2.gz RBVNYHJCEGZLEF-OWCLPIDISA-N 2 1 350.507 0.990 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH+](CCc2cccs2)CC1 ZINC000580882990 491750018 /nfs/dbraw/zinc/75/00/18/491750018.db2.gz YFLKPRSAFHZMHV-HNNXBMFYSA-N 2 1 352.504 0.996 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882636 491750048 /nfs/dbraw/zinc/75/00/48/491750048.db2.gz GFAJBRMXPCQVMT-XBFCOCLRSA-N 2 1 363.428 0.604 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000588967645 491752682 /nfs/dbraw/zinc/75/26/82/491752682.db2.gz TZGDEWJXCMDNKC-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000581245468 491765769 /nfs/dbraw/zinc/76/57/69/491765769.db2.gz ZIUCJJGXIGYKHP-HOTGVXAUSA-N 2 1 372.469 0.828 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581500297 491775441 /nfs/dbraw/zinc/77/54/41/491775441.db2.gz MRIFWGZZHOSEHE-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581500297 491775443 /nfs/dbraw/zinc/77/54/43/491775443.db2.gz MRIFWGZZHOSEHE-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000582235620 491803610 /nfs/dbraw/zinc/80/36/10/491803610.db2.gz IFSBSRRQTHRVNL-QKLQHJQFSA-N 2 1 356.470 0.494 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](C)[NH2+]C3CC3)CC2)CC1 ZINC000582238954 491803705 /nfs/dbraw/zinc/80/37/05/491803705.db2.gz DBXUELSCZYJYCE-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4OCC[NH2+][C@@H]4C3)CC2)c1 ZINC000582246150 491804165 /nfs/dbraw/zinc/80/41/65/491804165.db2.gz NUNIPUZMPAGUJS-UXHICEINSA-N 2 1 372.513 0.702 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582350602 491808546 /nfs/dbraw/zinc/80/85/46/491808546.db2.gz BLTBQZYURIRNRR-NXHRZFHOSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582350602 491808548 /nfs/dbraw/zinc/80/85/48/491808548.db2.gz BLTBQZYURIRNRR-NXHRZFHOSA-N 2 1 374.485 0.260 20 0 FCADMP CC[N@@H+](C)CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591580805 491809266 /nfs/dbraw/zinc/80/92/66/491809266.db2.gz ZLCQXPIYOSZYHB-UHFFFAOYSA-N 2 1 363.510 0.630 20 0 FCADMP Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)CCC2 ZINC000582383255 491810084 /nfs/dbraw/zinc/81/00/84/491810084.db2.gz SSVVLVTUFUGWAF-HOTGVXAUSA-N 2 1 361.490 0.984 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000582487162 491814731 /nfs/dbraw/zinc/81/47/31/491814731.db2.gz YBHVTVONMNVMBW-FPCVCCKLSA-N 2 1 356.511 0.482 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000582653615 491821276 /nfs/dbraw/zinc/82/12/76/491821276.db2.gz DJMRPZNDWYBRTF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CCCC[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000673841049 493365879 /nfs/dbraw/zinc/36/58/79/493365879.db2.gz RGEBWARZKRDQQE-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000583199481 491840083 /nfs/dbraw/zinc/84/00/83/491840083.db2.gz QUPQCHFXEYEKDW-MRXNPFEDSA-N 2 1 369.893 0.971 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000583313278 491842236 /nfs/dbraw/zinc/84/22/36/491842236.db2.gz DSYJDFRMGKGSPG-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000583313278 491842237 /nfs/dbraw/zinc/84/22/37/491842237.db2.gz DSYJDFRMGKGSPG-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583495672 491846133 /nfs/dbraw/zinc/84/61/33/491846133.db2.gz PFNSUMATBVXCRQ-UKRRQHHQSA-N 2 1 373.544 0.946 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583495672 491846134 /nfs/dbraw/zinc/84/61/34/491846134.db2.gz PFNSUMATBVXCRQ-UKRRQHHQSA-N 2 1 373.544 0.946 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000583527667 491846787 /nfs/dbraw/zinc/84/67/87/491846787.db2.gz MSIIIFQNGJQTHG-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000583771517 491851733 /nfs/dbraw/zinc/85/17/33/491851733.db2.gz KUVZSTLYULEWDO-YESZJQIVSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000583771517 491851734 /nfs/dbraw/zinc/85/17/34/491851734.db2.gz KUVZSTLYULEWDO-YESZJQIVSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000583771517 491851735 /nfs/dbraw/zinc/85/17/35/491851735.db2.gz KUVZSTLYULEWDO-YESZJQIVSA-N 2 1 356.511 0.440 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)C2)C1 ZINC000583866130 491853597 /nfs/dbraw/zinc/85/35/97/491853597.db2.gz WKADBBWQFQWJTM-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881709 491854160 /nfs/dbraw/zinc/85/41/60/491854160.db2.gz JIWNQYAUZFTTAN-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000583881709 491854161 /nfs/dbraw/zinc/85/41/61/491854161.db2.gz JIWNQYAUZFTTAN-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000583881709 491854162 /nfs/dbraw/zinc/85/41/62/491854162.db2.gz JIWNQYAUZFTTAN-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]12 ZINC000584226073 491861044 /nfs/dbraw/zinc/86/10/44/491861044.db2.gz HMMAHTCVSHWYOO-GUDVDZBRSA-N 2 1 370.497 0.917 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 ZINC000584278796 491862148 /nfs/dbraw/zinc/86/21/48/491862148.db2.gz XWELGGVRBDRJNZ-KKUMJFAQSA-N 2 1 352.458 0.726 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000611650965 491865702 /nfs/dbraw/zinc/86/57/02/491865702.db2.gz SPCOWVPRNOJRLM-MNEFBYGVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000611650965 491865703 /nfs/dbraw/zinc/86/57/03/491865703.db2.gz SPCOWVPRNOJRLM-MNEFBYGVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000611650965 491865705 /nfs/dbraw/zinc/86/57/05/491865705.db2.gz SPCOWVPRNOJRLM-MNEFBYGVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000611650965 491865707 /nfs/dbraw/zinc/86/57/07/491865707.db2.gz SPCOWVPRNOJRLM-MNEFBYGVSA-N 2 1 370.497 0.976 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000594871817 491868921 /nfs/dbraw/zinc/86/89/21/491868921.db2.gz GAEORKMDILNVQT-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000594871817 491868923 /nfs/dbraw/zinc/86/89/23/491868923.db2.gz GAEORKMDILNVQT-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000594871817 491868925 /nfs/dbraw/zinc/86/89/25/491868925.db2.gz GAEORKMDILNVQT-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(F)(F)F ZINC000612463964 491921040 /nfs/dbraw/zinc/92/10/40/491921040.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 1 350.385 0.338 20 0 FCADMP CN1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)[C@H]1CCCN1C)C(F)(F)F ZINC000612463964 491921042 /nfs/dbraw/zinc/92/10/42/491921042.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 1 350.385 0.338 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000612484663 491924670 /nfs/dbraw/zinc/92/46/70/491924670.db2.gz CTIHLGJVLYIGPN-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541326 491931155 /nfs/dbraw/zinc/93/11/55/491931155.db2.gz DCXAVURQNPWJPK-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541326 491931157 /nfs/dbraw/zinc/93/11/57/491931157.db2.gz DCXAVURQNPWJPK-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000612541326 491931159 /nfs/dbraw/zinc/93/11/59/491931159.db2.gz DCXAVURQNPWJPK-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000612541326 491931162 /nfs/dbraw/zinc/93/11/62/491931162.db2.gz DCXAVURQNPWJPK-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000612547524 491932453 /nfs/dbraw/zinc/93/24/53/491932453.db2.gz FJRQVXWXDLDPAZ-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612603759 491938449 /nfs/dbraw/zinc/93/84/49/491938449.db2.gz LLGLKADVQMRTQU-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612603755 491938614 /nfs/dbraw/zinc/93/86/14/491938614.db2.gz LLGLKADVQMRTQU-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000612777507 491950217 /nfs/dbraw/zinc/95/02/17/491950217.db2.gz KNFSUTVRRYHDEO-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000612777504 491950322 /nfs/dbraw/zinc/95/03/22/491950322.db2.gz KNFSUTVRRYHDEO-MSOLQXFVSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612983601 491961096 /nfs/dbraw/zinc/96/10/96/491961096.db2.gz OMRORTKOCMFTBP-MSOLQXFVSA-N 2 1 358.486 0.847 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000602125562 491962028 /nfs/dbraw/zinc/96/20/28/491962028.db2.gz ZCBZHQIWXITCGS-FGTMMUONSA-N 2 1 350.507 0.477 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602487315 491989471 /nfs/dbraw/zinc/98/94/71/491989471.db2.gz WVKXBNNBOSEEJW-KRWDZBQOSA-N 2 1 366.531 0.934 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602487315 491989474 /nfs/dbraw/zinc/98/94/74/491989474.db2.gz WVKXBNNBOSEEJW-KRWDZBQOSA-N 2 1 366.531 0.934 20 0 FCADMP CCOC(=O)C1(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000613729353 491993787 /nfs/dbraw/zinc/99/37/87/491993787.db2.gz BCMNKSXBIMDOFO-AWEZNQCLSA-N 2 1 352.479 0.797 20 0 FCADMP COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000603844287 492043122 /nfs/dbraw/zinc/04/31/22/492043122.db2.gz JZCCMMDTNBTGQZ-ZNMIVQPWSA-N 2 1 350.415 0.373 20 0 FCADMP COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000603844287 492043124 /nfs/dbraw/zinc/04/31/24/492043124.db2.gz JZCCMMDTNBTGQZ-ZNMIVQPWSA-N 2 1 350.415 0.373 20 0 FCADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)cn2)CC1 ZINC000604164244 492052049 /nfs/dbraw/zinc/05/20/49/492052049.db2.gz CSKHDWUZNZIPJA-INIZCTEOSA-N 2 1 358.490 0.869 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC000604389028 492059636 /nfs/dbraw/zinc/05/96/36/492059636.db2.gz MNIXZMRCIPAJJY-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC000604389028 492059637 /nfs/dbraw/zinc/05/96/37/492059637.db2.gz MNIXZMRCIPAJJY-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000605852970 492104311 /nfs/dbraw/zinc/10/43/11/492104311.db2.gz WMYCZHBBYDACSS-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000605852970 492104312 /nfs/dbraw/zinc/10/43/12/492104312.db2.gz WMYCZHBBYDACSS-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000605852970 492104313 /nfs/dbraw/zinc/10/43/13/492104313.db2.gz WMYCZHBBYDACSS-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000605902864 492106157 /nfs/dbraw/zinc/10/61/57/492106157.db2.gz VLGVXBRXCCLSKV-SCTDSRPQSA-N 2 1 355.523 0.501 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608013492 492162079 /nfs/dbraw/zinc/16/20/79/492162079.db2.gz KGUAXJIGUHEIIJ-PXNSSMCTSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608013491 492162228 /nfs/dbraw/zinc/16/22/28/492162228.db2.gz KGUAXJIGUHEIIJ-FXAWDEMLSA-N 2 1 360.502 0.376 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691078 492187094 /nfs/dbraw/zinc/18/70/94/492187094.db2.gz SQRTWRIGDVERQX-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)[N@H+](C)CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600006659 492228447 /nfs/dbraw/zinc/22/84/47/492228447.db2.gz PIHSICFHDVTHBS-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600006659 492228448 /nfs/dbraw/zinc/22/84/48/492228448.db2.gz PIHSICFHDVTHBS-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000611373784 492287119 /nfs/dbraw/zinc/28/71/19/492287119.db2.gz OIYPFTFXOVLNAG-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000611373784 492287120 /nfs/dbraw/zinc/28/71/20/492287120.db2.gz OIYPFTFXOVLNAG-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000611373784 492287122 /nfs/dbraw/zinc/28/71/22/492287122.db2.gz OIYPFTFXOVLNAG-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000611373784 492287124 /nfs/dbraw/zinc/28/71/24/492287124.db2.gz OIYPFTFXOVLNAG-GDBMZVCRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000611374368 492287249 /nfs/dbraw/zinc/28/72/49/492287249.db2.gz VDTPLFFKUASINA-LSDHHAIUSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000611374368 492287250 /nfs/dbraw/zinc/28/72/50/492287250.db2.gz VDTPLFFKUASINA-LSDHHAIUSA-N 2 1 354.495 0.996 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654436797 492303428 /nfs/dbraw/zinc/30/34/28/492303428.db2.gz GHTCZAQPLNMOSN-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654436797 492303432 /nfs/dbraw/zinc/30/34/32/492303432.db2.gz GHTCZAQPLNMOSN-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785217 492305151 /nfs/dbraw/zinc/30/51/51/492305151.db2.gz YUMIIQGBSVMXNS-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000641785217 492305153 /nfs/dbraw/zinc/30/51/53/492305153.db2.gz YUMIIQGBSVMXNS-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000641785217 492305156 /nfs/dbraw/zinc/30/51/56/492305156.db2.gz YUMIIQGBSVMXNS-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000641820537 492309357 /nfs/dbraw/zinc/30/93/57/492309357.db2.gz HCPQFVWMLQFWAN-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641832535 492313362 /nfs/dbraw/zinc/31/33/62/492313362.db2.gz STLJVWNCVYABED-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840655 492316515 /nfs/dbraw/zinc/31/65/15/492316515.db2.gz ASBSKHWDSMHZTP-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641840655 492316519 /nfs/dbraw/zinc/31/65/19/492316519.db2.gz ASBSKHWDSMHZTP-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641840655 492316524 /nfs/dbraw/zinc/31/65/24/492316524.db2.gz ASBSKHWDSMHZTP-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568541 492316617 /nfs/dbraw/zinc/31/66/17/492316617.db2.gz OBERSZNSEFQQIP-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568541 492316621 /nfs/dbraw/zinc/31/66/21/492316621.db2.gz OBERSZNSEFQQIP-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841190 492317994 /nfs/dbraw/zinc/31/79/94/492317994.db2.gz NWLCOWCXSYZNPN-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841190 492317996 /nfs/dbraw/zinc/31/79/96/492317996.db2.gz NWLCOWCXSYZNPN-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841190 492317998 /nfs/dbraw/zinc/31/79/98/492317998.db2.gz NWLCOWCXSYZNPN-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260029 492330746 /nfs/dbraw/zinc/33/07/46/492330746.db2.gz PQUXHAJIBISNOL-SJORKVTESA-N 2 1 365.522 0.714 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000642101813 492334747 /nfs/dbraw/zinc/33/47/47/492334747.db2.gz QWZZGWAQHIXPJZ-KURKYZTESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195156 492340034 /nfs/dbraw/zinc/34/00/34/492340034.db2.gz ABKGYEUHCLSXGB-KLHDSHLOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194119 492340321 /nfs/dbraw/zinc/34/03/21/492340321.db2.gz XRJJUTZKGQNQNN-NBOOPKSLSA-N 2 1 362.518 0.966 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654736435 492345560 /nfs/dbraw/zinc/34/55/60/492345560.db2.gz AFBLEAMRBYPNEU-MSOLQXFVSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654736435 492345566 /nfs/dbraw/zinc/34/55/66/492345566.db2.gz AFBLEAMRBYPNEU-MSOLQXFVSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000654736553 492346030 /nfs/dbraw/zinc/34/60/30/492346030.db2.gz AYBJMNXFMYQOIX-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000647698390 492347136 /nfs/dbraw/zinc/34/71/36/492347136.db2.gz YPAOTYPJDPJOFE-OAQYLSRUSA-N 2 1 372.513 0.377 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000642332349 492351970 /nfs/dbraw/zinc/35/19/70/492351970.db2.gz GGTMVWGBINBUEH-KBAYOESNSA-N 2 1 373.501 0.039 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642394742 492357267 /nfs/dbraw/zinc/35/72/67/492357267.db2.gz KXAZHBPDVXLSBV-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642394742 492357271 /nfs/dbraw/zinc/35/72/71/492357271.db2.gz KXAZHBPDVXLSBV-QLFBSQMISA-N 2 1 354.495 0.249 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703078 492360506 /nfs/dbraw/zinc/36/05/06/492360506.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703078 492360508 /nfs/dbraw/zinc/36/05/08/492360508.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703078 492360509 /nfs/dbraw/zinc/36/05/09/492360509.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 2 1 374.529 0.800 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000634709342 492361209 /nfs/dbraw/zinc/36/12/09/492361209.db2.gz HUAOTWDGMMDGFS-CMKODMSKSA-N 2 1 361.486 0.849 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000634709342 492361216 /nfs/dbraw/zinc/36/12/16/492361216.db2.gz HUAOTWDGMMDGFS-CMKODMSKSA-N 2 1 361.486 0.849 20 0 FCADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NS(C)(=O)=O ZINC000634705266 492361658 /nfs/dbraw/zinc/36/16/58/492361658.db2.gz XHESOHHJZYSVEG-QGZVFWFLSA-N 2 1 355.504 0.541 20 0 FCADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)NS(C)(=O)=O ZINC000634705266 492361659 /nfs/dbraw/zinc/36/16/59/492361659.db2.gz XHESOHHJZYSVEG-QGZVFWFLSA-N 2 1 355.504 0.541 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000642550368 492363558 /nfs/dbraw/zinc/36/35/58/492363558.db2.gz FNWHTOIJUIWRRB-JQHSSLGASA-N 2 1 374.485 0.342 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642640154 492368332 /nfs/dbraw/zinc/36/83/32/492368332.db2.gz AULBWZQXZQWDIO-IXDOHACOSA-N 2 1 350.507 0.681 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640887 492368995 /nfs/dbraw/zinc/36/89/95/492368995.db2.gz ISOVKRBOMSCCRY-WJFTUGDTSA-N 2 1 370.497 0.963 20 0 FCADMP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(OC)c1 ZINC000647835053 492369021 /nfs/dbraw/zinc/36/90/21/492369021.db2.gz KLWHSCHAMXWPDO-AWEZNQCLSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(OC)c1 ZINC000647835053 492369025 /nfs/dbraw/zinc/36/90/25/492369025.db2.gz KLWHSCHAMXWPDO-AWEZNQCLSA-N 2 1 350.463 0.868 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642645037 492369837 /nfs/dbraw/zinc/36/98/37/492369837.db2.gz GCSAADZBWIDGIJ-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000642680523 492372295 /nfs/dbraw/zinc/37/22/95/492372295.db2.gz VCBAYOWVMRCFLD-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000642680523 492372296 /nfs/dbraw/zinc/37/22/96/492372296.db2.gz VCBAYOWVMRCFLD-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642680343 492372414 /nfs/dbraw/zinc/37/24/14/492372414.db2.gz ZECHYOSGVAICCN-OTWHNJEPSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729142 492381782 /nfs/dbraw/zinc/38/17/82/492381782.db2.gz SNGPGSFITUPSOV-HIFRSBDPSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729142 492381786 /nfs/dbraw/zinc/38/17/86/492381786.db2.gz SNGPGSFITUPSOV-HIFRSBDPSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000642731703 492381966 /nfs/dbraw/zinc/38/19/66/492381966.db2.gz MYZYDXYWNFZNPO-YUTCNCBUSA-N 2 1 354.476 0.042 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642732919 492382882 /nfs/dbraw/zinc/38/28/82/492382882.db2.gz CLJZKHDRVBCNGP-IEBWSBKVSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642744046 492384992 /nfs/dbraw/zinc/38/49/92/492384992.db2.gz SOUWKHPZSAGKFM-MRXNPFEDSA-N 2 1 373.501 0.182 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000642778951 492389227 /nfs/dbraw/zinc/38/92/27/492389227.db2.gz SLWXPLMQKDPLNH-MRXNPFEDSA-N 2 1 359.474 0.817 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000642808980 492396752 /nfs/dbraw/zinc/39/67/52/492396752.db2.gz YKIKMOISKAQKND-INIZCTEOSA-N 2 1 350.438 0.632 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCOC4(CC[NH+](C)CC4)C3)cn2)CC1 ZINC000648071451 492397591 /nfs/dbraw/zinc/39/75/91/492397591.db2.gz CLZQBOOCWHOIAB-UHFFFAOYSA-N 2 1 360.506 0.525 20 0 FCADMP CCN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642918813 492403535 /nfs/dbraw/zinc/40/35/35/492403535.db2.gz DAPBKGARDULKKZ-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000642918830 492403983 /nfs/dbraw/zinc/40/39/83/492403983.db2.gz DQMOCRQXPLUUNG-CVEARBPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000642918830 492403986 /nfs/dbraw/zinc/40/39/86/492403986.db2.gz DQMOCRQXPLUUNG-CVEARBPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919824 492404023 /nfs/dbraw/zinc/40/40/23/492404023.db2.gz IXKNNSDOBCESNT-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924107 492404413 /nfs/dbraw/zinc/40/44/13/492404413.db2.gz LDKMSKBTQVCAPF-AEFFLSMTSA-N 2 1 356.470 0.588 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000648130324 492404400 /nfs/dbraw/zinc/40/44/00/492404400.db2.gz ZDCVRFVYBKCUER-IRXDYDNUSA-N 2 1 366.506 0.287 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983100 492410931 /nfs/dbraw/zinc/41/09/31/492410931.db2.gz GFVFNOOGVIGECN-SJLPKXTDSA-N 2 1 356.470 0.849 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000621843683 492424666 /nfs/dbraw/zinc/42/46/66/492424666.db2.gz JJSQXALKDKMZTF-JXFKEZNVSA-N 2 1 371.485 0.946 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028514 492443698 /nfs/dbraw/zinc/44/36/98/492443698.db2.gz RHKKFJUWRCPXHN-KHYOSLBOSA-N 2 1 364.490 0.038 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000622031972 492445896 /nfs/dbraw/zinc/44/58/96/492445896.db2.gz XDWWYTNQUPDRBR-BBTUJRGHSA-N 2 1 370.497 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000622031972 492445898 /nfs/dbraw/zinc/44/58/98/492445898.db2.gz XDWWYTNQUPDRBR-BBTUJRGHSA-N 2 1 370.497 0.712 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000635489871 492458208 /nfs/dbraw/zinc/45/82/08/492458208.db2.gz ZHRMUVHPMBBPKI-SFHVURJKSA-N 2 1 360.502 0.865 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000635489871 492458212 /nfs/dbraw/zinc/45/82/12/492458212.db2.gz ZHRMUVHPMBBPKI-SFHVURJKSA-N 2 1 360.502 0.865 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000635489871 492458214 /nfs/dbraw/zinc/45/82/14/492458214.db2.gz ZHRMUVHPMBBPKI-SFHVURJKSA-N 2 1 360.502 0.865 20 0 FCADMP CCOC(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648858104 492466750 /nfs/dbraw/zinc/46/67/50/492466750.db2.gz GRJHOUTYBSFUCB-MUIFIZLQSA-N 2 1 368.522 0.304 20 0 FCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000628105444 492467063 /nfs/dbraw/zinc/46/70/63/492467063.db2.gz YNGWBDVSFXNRQD-KRWDZBQOSA-N 2 1 362.474 0.650 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000643480841 492477021 /nfs/dbraw/zinc/47/70/21/492477021.db2.gz ZMGLBVAWDAQQKS-OALUTQOASA-N 2 1 372.513 0.959 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000643480842 492477155 /nfs/dbraw/zinc/47/71/55/492477155.db2.gz ZMGLBVAWDAQQKS-RBUKOAKNSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480976 492477167 /nfs/dbraw/zinc/47/71/67/492477167.db2.gz HROIPZAXWGGNTI-WMZOPIPTSA-N 2 1 374.485 0.296 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000643480843 492477565 /nfs/dbraw/zinc/47/75/65/492477565.db2.gz ZMGLBVAWDAQQKS-RTBURBONSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000643498075 492482197 /nfs/dbraw/zinc/48/21/97/492482197.db2.gz VXUOQIWUHDGARZ-FZKCQIBNSA-N 2 1 352.479 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000643498075 492482198 /nfs/dbraw/zinc/48/21/98/492482198.db2.gz VXUOQIWUHDGARZ-FZKCQIBNSA-N 2 1 352.479 0.036 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000643500315 492482941 /nfs/dbraw/zinc/48/29/41/492482941.db2.gz BTOVXMYCGSYXQX-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H]1CC ZINC000643512767 492485535 /nfs/dbraw/zinc/48/55/35/492485535.db2.gz YUHKXGAKEHXWSB-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H]1CC ZINC000643512767 492485539 /nfs/dbraw/zinc/48/55/39/492485539.db2.gz YUHKXGAKEHXWSB-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643531851 492492076 /nfs/dbraw/zinc/49/20/76/492492076.db2.gz PRYRZVSUDGSPAK-RXVVDRJESA-N 2 1 370.497 0.931 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532540 492492754 /nfs/dbraw/zinc/49/27/54/492492754.db2.gz TYPJCXCTJYDZCC-INDMIFKZSA-N 2 1 370.497 0.882 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549723 492496651 /nfs/dbraw/zinc/49/66/51/492496651.db2.gz GMZWSSWERQLMHH-KNBMTAEXSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549726 492497146 /nfs/dbraw/zinc/49/71/46/492497146.db2.gz GMZWSSWERQLMHH-VPWXQRGCSA-N 2 1 360.502 0.674 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCO1 ZINC000643577750 492499951 /nfs/dbraw/zinc/49/99/51/492499951.db2.gz SRAYRDRNLRAUFW-HOCLYGCPSA-N 2 1 366.462 0.135 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594272 492503751 /nfs/dbraw/zinc/50/37/51/492503751.db2.gz XLUWQXLQONKZFC-XDNAFOTISA-N 2 1 362.518 0.920 20 0 FCADMP COC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635835872 492513620 /nfs/dbraw/zinc/51/36/20/492513620.db2.gz YBFQSPDGNJCKNZ-PMPSAXMXSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635835872 492513624 /nfs/dbraw/zinc/51/36/24/492513624.db2.gz YBFQSPDGNJCKNZ-PMPSAXMXSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635835872 492513628 /nfs/dbraw/zinc/51/36/28/492513628.db2.gz YBFQSPDGNJCKNZ-PMPSAXMXSA-N 2 1 354.495 0.202 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000649291816 492524267 /nfs/dbraw/zinc/52/42/67/492524267.db2.gz TVEBRTFWINYZOX-NXHRZFHOSA-N 2 1 372.469 0.714 20 0 FCADMP C[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000649311270 492529196 /nfs/dbraw/zinc/52/91/96/492529196.db2.gz BVHNLBUUXIBMBE-WMLDXEAASA-N 2 1 354.458 0.989 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000649348997 492542930 /nfs/dbraw/zinc/54/29/30/492542930.db2.gz NKOTURJHTFQVPX-LSDHHAIUSA-N 2 1 352.504 0.389 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649352370 492545592 /nfs/dbraw/zinc/54/55/92/492545592.db2.gz NGJAIDJBPCJMOY-OLMNPRSZSA-N 2 1 371.485 0.586 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000649352016 492546036 /nfs/dbraw/zinc/54/60/36/492546036.db2.gz HVRGJIVKIPSFQO-MRXNPFEDSA-N 2 1 367.444 0.955 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC[C@H]1[NH3+] ZINC000649358932 492547218 /nfs/dbraw/zinc/54/72/18/492547218.db2.gz JFDQBBCMBRENHW-QBPKDAKJSA-N 2 1 350.507 0.905 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000649409626 492551700 /nfs/dbraw/zinc/55/17/00/492551700.db2.gz FYVKLKCZCLNJNR-UHFFFAOYSA-N 2 1 365.547 0.229 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000649409626 492551704 /nfs/dbraw/zinc/55/17/04/492551704.db2.gz FYVKLKCZCLNJNR-UHFFFAOYSA-N 2 1 365.547 0.229 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000649410669 492552144 /nfs/dbraw/zinc/55/21/44/492552144.db2.gz MONQKLMUMKGPHS-IEBWSBKVSA-N 2 1 360.502 0.687 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000636155870 492557975 /nfs/dbraw/zinc/55/79/75/492557975.db2.gz CWVRIKNRSFCIFU-ROUUACIJSA-N 2 1 351.491 0.857 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000656297427 492576200 /nfs/dbraw/zinc/57/62/00/492576200.db2.gz BBVRXOAHMCYDFG-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000656300258 492577356 /nfs/dbraw/zinc/57/73/56/492577356.db2.gz MZYRDHDUGZXHCX-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000656307853 492582360 /nfs/dbraw/zinc/58/23/60/492582360.db2.gz XBYBSQUBKUBIIL-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000656307853 492582364 /nfs/dbraw/zinc/58/23/64/492582364.db2.gz XBYBSQUBKUBIIL-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000629173218 492582455 /nfs/dbraw/zinc/58/24/55/492582455.db2.gz NAMMERIJNUQDLD-LJQANCHMSA-N 2 1 360.502 0.690 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1C ZINC000656311763 492585680 /nfs/dbraw/zinc/58/56/80/492585680.db2.gz HTCCXWKAOUMTCV-GJZGRUSLSA-N 2 1 362.478 0.235 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656336893 492601134 /nfs/dbraw/zinc/60/11/34/492601134.db2.gz DLHMDGCBHUHFGU-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656336893 492601137 /nfs/dbraw/zinc/60/11/37/492601137.db2.gz DLHMDGCBHUHFGU-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656336893 492601138 /nfs/dbraw/zinc/60/11/38/492601138.db2.gz DLHMDGCBHUHFGU-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCOc1cccc(CNc2nc(N)[nH+]c(N)n2)c1)C1CCOCC1 ZINC000623935044 492607287 /nfs/dbraw/zinc/60/72/87/492607287.db2.gz PTJLBNVZCQQUGU-UHFFFAOYSA-N 2 1 373.461 0.220 20 0 FCADMP C[N@H+](CCOc1cccc(CNc2nc(N)nc(N)[nH+]2)c1)C1CCOCC1 ZINC000623935044 492607289 /nfs/dbraw/zinc/60/72/89/492607289.db2.gz PTJLBNVZCQQUGU-UHFFFAOYSA-N 2 1 373.461 0.220 20 0 FCADMP C[N@@H+](CCOc1cccc(CNc2nc(N)nc(N)[nH+]2)c1)C1CCOCC1 ZINC000623935044 492607290 /nfs/dbraw/zinc/60/72/90/492607290.db2.gz PTJLBNVZCQQUGU-UHFFFAOYSA-N 2 1 373.461 0.220 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC[C@H]1[NH3+] ZINC000644226616 492673244 /nfs/dbraw/zinc/67/32/44/492673244.db2.gz OFKRRMYGZHGLAC-HUUCEWRRSA-N 2 1 354.495 0.141 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC000629813263 492684634 /nfs/dbraw/zinc/68/46/34/492684634.db2.gz IRMZRWMTYQSZNS-NDBYEHHHSA-N 2 1 362.396 0.135 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629812054 492684885 /nfs/dbraw/zinc/68/48/85/492684885.db2.gz FVKORDGXSDPUIC-CHWSQXEVSA-N 2 1 364.412 0.525 20 0 FCADMP CN(C)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793820 492695166 /nfs/dbraw/zinc/69/51/66/492695166.db2.gz GZKWEINQQKVCJG-SWLSCSKDSA-N 2 1 356.417 0.933 20 0 FCADMP CN(C)[C@H](CNC(=O)NCCN1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793820 492695167 /nfs/dbraw/zinc/69/51/67/492695167.db2.gz GZKWEINQQKVCJG-SWLSCSKDSA-N 2 1 356.417 0.933 20 0 FCADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651069676 492703454 /nfs/dbraw/zinc/70/34/54/492703454.db2.gz FVCAENFTXOMFKE-IEBWSBKVSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651069676 492703458 /nfs/dbraw/zinc/70/34/58/492703458.db2.gz FVCAENFTXOMFKE-IEBWSBKVSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651069676 492703460 /nfs/dbraw/zinc/70/34/60/492703460.db2.gz FVCAENFTXOMFKE-IEBWSBKVSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651069676 492703464 /nfs/dbraw/zinc/70/34/64/492703464.db2.gz FVCAENFTXOMFKE-IEBWSBKVSA-N 2 1 358.486 0.969 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000636939820 492733186 /nfs/dbraw/zinc/73/31/86/492733186.db2.gz GRYRZYGFQCFATK-BRWVUGGUSA-N 2 1 354.495 0.120 20 0 FCADMP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000636950580 492736126 /nfs/dbraw/zinc/73/61/26/492736126.db2.gz WRHYLHVCCBBNGZ-XJKSGUPXSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000636950580 492736129 /nfs/dbraw/zinc/73/61/29/492736129.db2.gz WRHYLHVCCBBNGZ-XJKSGUPXSA-N 2 1 350.467 0.990 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439646 492757832 /nfs/dbraw/zinc/75/78/32/492757832.db2.gz RXYPCLOBHOYUCN-MJGOQNOKSA-N 2 1 370.538 0.976 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000630712702 492768537 /nfs/dbraw/zinc/76/85/37/492768537.db2.gz KFGNPXFVSYAJSF-UHFFFAOYSA-N 2 1 370.501 0.997 20 0 FCADMP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644582801 492787335 /nfs/dbraw/zinc/78/73/35/492787335.db2.gz CYSWCOQRNKUVQZ-MBOZVWFJSA-N 2 1 374.485 0.789 20 0 FCADMP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644582801 492787340 /nfs/dbraw/zinc/78/73/40/492787340.db2.gz CYSWCOQRNKUVQZ-MBOZVWFJSA-N 2 1 374.485 0.789 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644582802 492787684 /nfs/dbraw/zinc/78/76/84/492787684.db2.gz CYSWCOQRNKUVQZ-QKLQHJQFSA-N 2 1 374.485 0.789 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644582802 492787688 /nfs/dbraw/zinc/78/76/88/492787688.db2.gz CYSWCOQRNKUVQZ-QKLQHJQFSA-N 2 1 374.485 0.789 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000644646236 492796085 /nfs/dbraw/zinc/79/60/85/492796085.db2.gz CSXOTXLEGAWXNH-KOHRHEQBSA-N 2 1 360.458 0.590 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000644646236 492796088 /nfs/dbraw/zinc/79/60/88/492796088.db2.gz CSXOTXLEGAWXNH-KOHRHEQBSA-N 2 1 360.458 0.590 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375358 492814430 /nfs/dbraw/zinc/81/44/30/492814430.db2.gz IWHZSAJHJQRZNH-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375358 492814435 /nfs/dbraw/zinc/81/44/35/492814435.db2.gz IWHZSAJHJQRZNH-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375358 492814439 /nfs/dbraw/zinc/81/44/39/492814439.db2.gz IWHZSAJHJQRZNH-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000644990002 492836286 /nfs/dbraw/zinc/83/62/86/492836286.db2.gz PRSGJESJHDZSGU-WTGUMLROSA-N 3 1 356.514 0.998 20 0 FCADMP COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990002 492836290 /nfs/dbraw/zinc/83/62/90/492836290.db2.gz PRSGJESJHDZSGU-WTGUMLROSA-N 3 1 356.514 0.998 20 0 FCADMP COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990002 492836294 /nfs/dbraw/zinc/83/62/94/492836294.db2.gz PRSGJESJHDZSGU-WTGUMLROSA-N 3 1 356.514 0.998 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631910027 492876774 /nfs/dbraw/zinc/87/67/74/492876774.db2.gz VFFBWLCLSBACGC-MRXNPFEDSA-N 2 1 352.504 0.779 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652159164 492889066 /nfs/dbraw/zinc/88/90/66/492889066.db2.gz SMZRTKNLDHWXJR-BBWFWOEESA-N 2 1 356.511 0.883 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652159166 492889157 /nfs/dbraw/zinc/88/91/57/492889157.db2.gz SMZRTKNLDHWXJR-ULQDDVLXSA-N 2 1 356.511 0.883 20 0 FCADMP CCCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645296019 492889749 /nfs/dbraw/zinc/88/97/49/492889749.db2.gz CBRNNHJWFQOQJK-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000645296019 492889751 /nfs/dbraw/zinc/88/97/51/492889751.db2.gz CBRNNHJWFQOQJK-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000645296019 492889754 /nfs/dbraw/zinc/88/97/54/492889754.db2.gz CBRNNHJWFQOQJK-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631958219 492898119 /nfs/dbraw/zinc/89/81/19/492898119.db2.gz MXHXRPXAPCQIEF-UHFFFAOYSA-N 2 1 374.551 0.492 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638077778 492901386 /nfs/dbraw/zinc/90/13/86/492901386.db2.gz ARDDHUJISQYNFX-XLIONFOSSA-N 2 1 374.485 0.709 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638101279 492905316 /nfs/dbraw/zinc/90/53/16/492905316.db2.gz PEPVLFXQLCSKFB-NEPJUHHUSA-N 2 1 354.405 0.964 20 0 FCADMP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638116309 492909952 /nfs/dbraw/zinc/90/99/52/492909952.db2.gz CNZWTTZRBQCVQP-LJQANCHMSA-N 2 1 372.513 0.398 20 0 FCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652348859 492913242 /nfs/dbraw/zinc/91/32/42/492913242.db2.gz UFZOGYWJDVBASS-LTIDMASMSA-N 2 1 359.536 0.876 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CCO2 ZINC000645492253 492914555 /nfs/dbraw/zinc/91/45/55/492914555.db2.gz OLBCIODFOZJRLS-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138225 492915470 /nfs/dbraw/zinc/91/54/70/492915470.db2.gz YHLXEPCNBSQRSC-APWZRJJASA-N 2 1 362.518 0.955 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638140317 492917889 /nfs/dbraw/zinc/91/78/89/492917889.db2.gz YSVYVNLSYKSTKD-UHFFFAOYSA-N 3 1 365.566 0.546 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000632057295 492920410 /nfs/dbraw/zinc/92/04/10/492920410.db2.gz ZOWZETXYILTDOV-UHFFFAOYSA-N 2 1 359.536 0.987 20 0 FCADMP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174601 492921088 /nfs/dbraw/zinc/92/10/88/492921088.db2.gz QPYFHFAKNJPVRY-RTBURBONSA-N 2 1 370.497 0.931 20 0 FCADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174601 492921090 /nfs/dbraw/zinc/92/10/90/492921090.db2.gz QPYFHFAKNJPVRY-RTBURBONSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000652390434 492922160 /nfs/dbraw/zinc/92/21/60/492922160.db2.gz PKIKXKUOKSAVCN-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652443551 492933934 /nfs/dbraw/zinc/93/39/34/492933934.db2.gz CWUPQHRPQQWDJQ-UHFFFAOYSA-N 2 1 367.538 0.027 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000638346516 492938023 /nfs/dbraw/zinc/93/80/23/492938023.db2.gz XXAJBIOZGXWFLD-GOSISDBHSA-N 3 1 360.502 0.946 20 0 FCADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000626221472 492948169 /nfs/dbraw/zinc/94/81/69/492948169.db2.gz YTLIFVOFDQCBME-KRWDZBQOSA-N 2 1 361.490 0.935 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632267690 492960862 /nfs/dbraw/zinc/96/08/62/492960862.db2.gz JOZQUZPIMDSZNA-UHFFFAOYSA-N 2 1 355.508 0.794 20 0 FCADMP C[C@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000638753226 492975678 /nfs/dbraw/zinc/97/56/78/492975678.db2.gz SJEMPXUXNJKBOM-RDTXWAMCSA-N 2 1 354.458 0.876 20 0 FCADMP C[C@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000638753226 492975683 /nfs/dbraw/zinc/97/56/83/492975683.db2.gz SJEMPXUXNJKBOM-RDTXWAMCSA-N 2 1 354.458 0.876 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638753285 492975976 /nfs/dbraw/zinc/97/59/76/492975976.db2.gz UKUPBUUNTMFZTR-ROUUACIJSA-N 2 1 370.457 0.330 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638753285 492975984 /nfs/dbraw/zinc/97/59/84/492975984.db2.gz UKUPBUUNTMFZTR-ROUUACIJSA-N 2 1 370.457 0.330 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000652670132 492983805 /nfs/dbraw/zinc/98/38/05/492983805.db2.gz HVYOERAWWZKPCC-INIZCTEOSA-N 2 1 354.495 0.047 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000652681721 492988264 /nfs/dbraw/zinc/98/82/64/492988264.db2.gz SCEWUWGEGJQSBK-UHFFFAOYSA-N 2 1 358.486 0.667 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000652681721 492988269 /nfs/dbraw/zinc/98/82/69/492988269.db2.gz SCEWUWGEGJQSBK-UHFFFAOYSA-N 2 1 358.486 0.667 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000645925741 492988516 /nfs/dbraw/zinc/98/85/16/492988516.db2.gz NWFFENXQCAZOBE-UHFFFAOYSA-N 2 1 373.501 0.964 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684574 492989920 /nfs/dbraw/zinc/98/99/20/492989920.db2.gz ROWUBUHKKYARPG-NXOAAHMSSA-N 2 1 368.522 0.578 20 0 FCADMP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009503 493000111 /nfs/dbraw/zinc/00/01/11/493000111.db2.gz OHGLTCDEEXPWRH-OALUTQOASA-N 2 1 360.502 0.989 20 0 FCADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009496 493000511 /nfs/dbraw/zinc/00/05/11/493000511.db2.gz NOAQXBIUCOLYGA-MSOLQXFVSA-N 2 1 352.523 0.807 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723431 493003482 /nfs/dbraw/zinc/00/34/82/493003482.db2.gz AKBLUIFTFCAIBX-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000652724407 493004119 /nfs/dbraw/zinc/00/41/19/493004119.db2.gz AMBMXXDFNBBOGO-WMZOPIPTSA-N 2 1 362.518 0.968 20 0 FCADMP CS(=O)(=O)N1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639440919 493009637 /nfs/dbraw/zinc/00/96/37/493009637.db2.gz RQTNYKWNTDVYJR-GOSISDBHSA-N 2 1 367.515 0.591 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736366 493012336 /nfs/dbraw/zinc/01/23/36/493012336.db2.gz FALKEHKITUNXCK-QYZOEREBSA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736366 493012340 /nfs/dbraw/zinc/01/23/40/493012340.db2.gz FALKEHKITUNXCK-QYZOEREBSA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H](Cc2ccccc2)C1 ZINC000652736310 493012464 /nfs/dbraw/zinc/01/24/64/493012464.db2.gz CTANOVZBGUTEEH-WIYYLYMNSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H](Cc2ccccc2)C1 ZINC000652736310 493012468 /nfs/dbraw/zinc/01/24/68/493012468.db2.gz CTANOVZBGUTEEH-WIYYLYMNSA-N 2 1 370.497 0.584 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652737118 493013601 /nfs/dbraw/zinc/01/36/01/493013601.db2.gz ZWXKCGPKCJDWHC-APWZRJJASA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652737118 493013605 /nfs/dbraw/zinc/01/36/05/493013605.db2.gz ZWXKCGPKCJDWHC-APWZRJJASA-N 2 1 372.513 0.958 20 0 FCADMP COCCCS(=O)(=O)NCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682652 493031302 /nfs/dbraw/zinc/03/13/02/493031302.db2.gz HOEZNAYZGKONLK-UHFFFAOYSA-N 2 1 356.492 0.550 20 0 FCADMP COCCCS(=O)(=O)NCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682652 493031307 /nfs/dbraw/zinc/03/13/07/493031307.db2.gz HOEZNAYZGKONLK-UHFFFAOYSA-N 2 1 356.492 0.550 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000658757334 493044138 /nfs/dbraw/zinc/04/41/38/493044138.db2.gz IEEWNOBBWGOHJG-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000658757334 493044142 /nfs/dbraw/zinc/04/41/42/493044142.db2.gz IEEWNOBBWGOHJG-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658757334 493044144 /nfs/dbraw/zinc/04/41/44/493044144.db2.gz IEEWNOBBWGOHJG-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000658757334 493044148 /nfs/dbraw/zinc/04/41/48/493044148.db2.gz IEEWNOBBWGOHJG-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP [NH3+]Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000626900169 493057251 /nfs/dbraw/zinc/05/72/51/493057251.db2.gz YXDBOOVHRMCPDD-CYBMUJFWSA-N 2 1 374.363 0.285 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000626935942 493067865 /nfs/dbraw/zinc/06/78/65/493067865.db2.gz BGOVGDOOPSDFRO-IAGOWNOFSA-N 2 1 361.490 0.485 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653112921 493071718 /nfs/dbraw/zinc/07/17/18/493071718.db2.gz MUBDEOQTHJKITO-JXFKEZNVSA-N 2 1 372.469 0.639 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653112298 493071765 /nfs/dbraw/zinc/07/17/65/493071765.db2.gz UJJJOHRRNCOLSP-KXBFYZLASA-N 2 1 358.442 0.249 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124639 493075202 /nfs/dbraw/zinc/07/52/02/493075202.db2.gz CMRDKKMFDVWETI-GUDVDZBRSA-N 2 1 364.534 0.770 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123297 493075220 /nfs/dbraw/zinc/07/52/20/493075220.db2.gz UMJJMBMCVLDEBB-MAUKXSAKSA-N 2 1 364.490 0.673 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123297 493075222 /nfs/dbraw/zinc/07/52/22/493075222.db2.gz UMJJMBMCVLDEBB-MAUKXSAKSA-N 2 1 364.490 0.673 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626986062 493075696 /nfs/dbraw/zinc/07/56/96/493075696.db2.gz OLZBGKRELMYIIR-IRXDYDNUSA-N 2 1 361.490 0.485 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272003 493087758 /nfs/dbraw/zinc/08/77/58/493087758.db2.gz UXRTYPGZTNIKGU-IAGOWNOFSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111843 493088848 /nfs/dbraw/zinc/08/88/48/493088848.db2.gz WETCXGRZDJHXFF-NYTXWWLZSA-N 2 1 365.482 0.109 20 0 FCADMP C[C@H](CNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111843 493088851 /nfs/dbraw/zinc/08/88/51/493088851.db2.gz WETCXGRZDJHXFF-NYTXWWLZSA-N 2 1 365.482 0.109 20 0 FCADMP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H]1c1nccn1C ZINC000627149561 493096458 /nfs/dbraw/zinc/09/64/58/493096458.db2.gz IXOQUWVDLMRLAC-FVQBIDKESA-N 2 1 363.462 0.261 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000653371316 493105421 /nfs/dbraw/zinc/10/54/21/493105421.db2.gz HDFOHHMGZDWEJL-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000627233196 493113019 /nfs/dbraw/zinc/11/30/19/493113019.db2.gz OPDVLURFRRRAMZ-IJEWVQPXSA-N 2 1 365.482 0.063 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000627233196 493113023 /nfs/dbraw/zinc/11/30/23/493113023.db2.gz OPDVLURFRRRAMZ-IJEWVQPXSA-N 2 1 365.482 0.063 20 0 FCADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000633075853 493115786 /nfs/dbraw/zinc/11/57/86/493115786.db2.gz LMMMOPWOHMKGAT-HDICACEKSA-N 2 1 356.470 0.336 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259096 493121204 /nfs/dbraw/zinc/12/12/04/493121204.db2.gz MZCGTTNWSHNCGR-DLBZAZTESA-N 2 1 351.491 0.689 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000658990319 493121587 /nfs/dbraw/zinc/12/15/87/493121587.db2.gz ZBQQAENUUOEXPD-CYBMUJFWSA-N 2 1 363.462 0.812 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633090339 493121764 /nfs/dbraw/zinc/12/17/64/493121764.db2.gz VYGLCQPNIMNVDH-BZSNNMDCSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000653416658 493127726 /nfs/dbraw/zinc/12/77/26/493127726.db2.gz WANNGDSBXUCNGI-HNNXBMFYSA-N 2 1 350.467 0.773 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104665 493128264 /nfs/dbraw/zinc/12/82/64/493128264.db2.gz HCSJRYLXBFIQBB-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000633104665 493128266 /nfs/dbraw/zinc/12/82/66/493128266.db2.gz HCSJRYLXBFIQBB-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000633104665 493128269 /nfs/dbraw/zinc/12/82/69/493128269.db2.gz HCSJRYLXBFIQBB-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627291944 493137058 /nfs/dbraw/zinc/13/70/58/493137058.db2.gz ISFGKGDGSGFBLN-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297116 493139289 /nfs/dbraw/zinc/13/92/89/493139289.db2.gz BRBVJCICURWENZ-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646989818 493141867 /nfs/dbraw/zinc/14/18/67/493141867.db2.gz PTHPBIDOOSVBEM-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647058539 493154920 /nfs/dbraw/zinc/15/49/20/493154920.db2.gz PSNWYLTVAVIENI-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647058539 493154924 /nfs/dbraw/zinc/15/49/24/493154924.db2.gz PSNWYLTVAVIENI-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647058539 493154926 /nfs/dbraw/zinc/15/49/26/493154926.db2.gz PSNWYLTVAVIENI-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006178 493161902 /nfs/dbraw/zinc/16/19/02/493161902.db2.gz XQWPWHPCEOSUSA-DOTOQJQBSA-N 2 1 372.473 0.705 20 0 FCADMP Cn1cc(N2CCC[C@@H](n3cc(CC[NH+]4CCC([NH3+])CC4)nn3)C2=O)cn1 ZINC000641054492 493164189 /nfs/dbraw/zinc/16/41/89/493164189.db2.gz JDYSDMGJUAIAOZ-QGZVFWFLSA-N 2 1 372.477 0.345 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627346361 493166516 /nfs/dbraw/zinc/16/65/16/493166516.db2.gz OIDHBISCFOQPEV-NWDGAFQWSA-N 2 1 361.368 0.293 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659434889 493176962 /nfs/dbraw/zinc/17/69/62/493176962.db2.gz RSTRUNLARQXWKH-KRWDZBQOSA-N 2 1 365.522 0.572 20 0 FCADMP [NH3+]C1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000659432032 493176978 /nfs/dbraw/zinc/17/69/78/493176978.db2.gz VHQMBGCHAKURJR-UHFFFAOYSA-N 2 1 361.494 0.559 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659442990 493178363 /nfs/dbraw/zinc/17/83/63/493178363.db2.gz UQRJLMDUBOIQHI-LBPRGKRZSA-N 2 1 350.467 0.951 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000627361785 493179077 /nfs/dbraw/zinc/17/90/77/493179077.db2.gz YTBZHQZDMQZFNC-MRXNPFEDSA-N 2 1 361.490 0.121 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000627365518 493181484 /nfs/dbraw/zinc/18/14/84/493181484.db2.gz QTXAJGLNVXRHGI-INIZCTEOSA-N 2 1 361.490 0.121 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641219877 493183412 /nfs/dbraw/zinc/18/34/12/493183412.db2.gz KCHLWQFHZKJOQT-MOPGFXCFSA-N 2 1 359.474 0.728 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[NH+]2CCC[C@@H]2CO)nn1 ZINC000641219877 493183417 /nfs/dbraw/zinc/18/34/17/493183417.db2.gz KCHLWQFHZKJOQT-MOPGFXCFSA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@H](O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000641219877 493183422 /nfs/dbraw/zinc/18/34/22/493183422.db2.gz KCHLWQFHZKJOQT-MOPGFXCFSA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@H](O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000641219877 493183425 /nfs/dbraw/zinc/18/34/25/493183425.db2.gz KCHLWQFHZKJOQT-MOPGFXCFSA-N 2 1 359.474 0.728 20 0 FCADMP CN(CCC[NH3+])Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641228452 493186251 /nfs/dbraw/zinc/18/62/51/493186251.db2.gz AEQGIMRAEBLVFR-LJQANCHMSA-N 2 1 358.490 0.696 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000627390144 493197057 /nfs/dbraw/zinc/19/70/57/493197057.db2.gz DDDJZJATVUHEKO-UHFFFAOYSA-N 2 1 368.428 0.853 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627392653 493200021 /nfs/dbraw/zinc/20/00/21/493200021.db2.gz BCJYJSAJGJJKSJ-STQMWFEESA-N 2 1 366.428 0.820 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000627397419 493202513 /nfs/dbraw/zinc/20/25/13/493202513.db2.gz MABOUXLZBHCPNK-HNNXBMFYSA-N 2 1 366.462 0.357 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659583012 493216604 /nfs/dbraw/zinc/21/66/04/493216604.db2.gz MCGYULQCWDVEKL-BMGDILEWSA-N 2 1 364.465 0.979 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1Cc1ccccc1 ZINC000659630243 493224220 /nfs/dbraw/zinc/22/42/20/493224220.db2.gz MJQOTDDMJNRZEN-INIZCTEOSA-N 2 1 370.457 0.709 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1Cc1ccccc1 ZINC000659630243 493224225 /nfs/dbraw/zinc/22/42/25/493224225.db2.gz MJQOTDDMJNRZEN-INIZCTEOSA-N 2 1 370.457 0.709 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000672655507 493229149 /nfs/dbraw/zinc/22/91/49/493229149.db2.gz YPPZWWQEJFNWJZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000672655507 493229150 /nfs/dbraw/zinc/22/91/50/493229150.db2.gz YPPZWWQEJFNWJZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672655507 493229151 /nfs/dbraw/zinc/22/91/51/493229151.db2.gz YPPZWWQEJFNWJZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672655507 493229152 /nfs/dbraw/zinc/22/91/52/493229152.db2.gz YPPZWWQEJFNWJZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000672700073 493236445 /nfs/dbraw/zinc/23/64/45/493236445.db2.gz YMYHOKLWABXOTK-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976188 493244336 /nfs/dbraw/zinc/24/43/36/493244336.db2.gz DHBFZSZHWCFSPE-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976188 493244340 /nfs/dbraw/zinc/24/43/40/493244340.db2.gz DHBFZSZHWCFSPE-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659678219 493247700 /nfs/dbraw/zinc/24/77/00/493247700.db2.gz VQDIBHGKIDGMBY-PMPSAXMXSA-N 2 1 354.495 0.189 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000667014731 493248917 /nfs/dbraw/zinc/24/89/17/493248917.db2.gz RBDDPZSTGUEMFW-UHFFFAOYSA-N 2 1 362.474 0.650 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000667014731 493248919 /nfs/dbraw/zinc/24/89/19/493248919.db2.gz RBDDPZSTGUEMFW-UHFFFAOYSA-N 2 1 362.474 0.650 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000659683335 493250029 /nfs/dbraw/zinc/25/00/29/493250029.db2.gz REKNKDZKEBVTIM-FPCVCCKLSA-N 2 1 368.522 0.576 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000659687754 493253639 /nfs/dbraw/zinc/25/36/39/493253639.db2.gz ZYQHOKLGNOGLPJ-UONOGXRCSA-N 2 1 352.504 0.800 20 0 FCADMP CCC[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)S(N)(=O)=O ZINC000667054883 493254813 /nfs/dbraw/zinc/25/48/13/493254813.db2.gz YUQZKIKUZZRCKX-CQSZACIVSA-N 2 1 355.464 0.229 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000659694341 493257666 /nfs/dbraw/zinc/25/76/66/493257666.db2.gz OBAVLWLHLXINSL-HPFXQQBRSA-N 2 1 360.502 0.983 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C[N@H+]1C1CC1 ZINC000659694532 493258130 /nfs/dbraw/zinc/25/81/30/493258130.db2.gz VJDKZRHVEVDHFD-HYVNUMGLSA-N 2 1 362.518 0.966 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672876532 493260835 /nfs/dbraw/zinc/26/08/35/493260835.db2.gz IRIFAPUTJJXPQB-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672876532 493260839 /nfs/dbraw/zinc/26/08/39/493260839.db2.gz IRIFAPUTJJXPQB-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000672876532 493260842 /nfs/dbraw/zinc/26/08/42/493260842.db2.gz IRIFAPUTJJXPQB-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704418 493263111 /nfs/dbraw/zinc/26/31/11/493263111.db2.gz OUFLVQTZNNLDEB-QGZVFWFLSA-N 2 1 368.522 0.309 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CCCS1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672920382 493266025 /nfs/dbraw/zinc/26/60/25/493266025.db2.gz UVUCNKXQDOXQGP-HZPDHXFCSA-N 2 1 368.547 0.625 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CCCS1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672920382 493266028 /nfs/dbraw/zinc/26/60/28/493266028.db2.gz UVUCNKXQDOXQGP-HZPDHXFCSA-N 2 1 368.547 0.625 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709418 493266072 /nfs/dbraw/zinc/26/60/72/493266072.db2.gz ILMMBXIUKQVLSE-GOSISDBHSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659722453 493272504 /nfs/dbraw/zinc/27/25/04/493272504.db2.gz FKILEUMLWPBSMG-GOEBONIOSA-N 2 1 352.479 0.004 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659722455 493272536 /nfs/dbraw/zinc/27/25/36/493272536.db2.gz FKILEUMLWPBSMG-HOCLYGCPSA-N 2 1 352.479 0.004 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659735873 493278535 /nfs/dbraw/zinc/27/85/35/493278535.db2.gz KIWPKNLHLOMDJF-BZUAXINKSA-N 2 1 350.507 0.953 20 0 FCADMP Cc1noc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000682228531 493280655 /nfs/dbraw/zinc/28/06/55/493280655.db2.gz CGYYAFBUMCOTPF-HNNXBMFYSA-N 2 1 363.462 0.857 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2ncc(C)cn2n1 ZINC000667812289 493303068 /nfs/dbraw/zinc/30/30/68/493303068.db2.gz IUHWCSLBIVMPDY-HNNXBMFYSA-N 2 1 359.478 0.921 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812648 493303335 /nfs/dbraw/zinc/30/33/35/493303335.db2.gz SIYYEHATPXBHSD-HUUCEWRRSA-N 2 1 362.540 0.189 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000660791065 493379456 /nfs/dbraw/zinc/37/94/56/493379456.db2.gz HXZVUCCEBBGQQX-CVEARBPZSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000660791065 493379458 /nfs/dbraw/zinc/37/94/58/493379458.db2.gz HXZVUCCEBBGQQX-CVEARBPZSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660900308 493391914 /nfs/dbraw/zinc/39/19/14/493391914.db2.gz XMNZXASUXMDGHI-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000668789359 493411322 /nfs/dbraw/zinc/41/13/22/493411322.db2.gz UKZQQEPQBFQXGR-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000661304868 493425825 /nfs/dbraw/zinc/42/58/25/493425825.db2.gz IEQPNYRWCJLWKJ-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000661304868 493425826 /nfs/dbraw/zinc/42/58/26/493425826.db2.gz IEQPNYRWCJLWKJ-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000669028409 493454031 /nfs/dbraw/zinc/45/40/31/493454031.db2.gz BKLVRORPXLNDTN-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685304955 493473916 /nfs/dbraw/zinc/47/39/16/493473916.db2.gz RXNNOCHTDFQFKO-KYJSFNMBSA-N 2 1 362.518 0.776 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685340448 493480762 /nfs/dbraw/zinc/48/07/62/493480762.db2.gz QPGGYLAKJSMCDH-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685340448 493480764 /nfs/dbraw/zinc/48/07/64/493480764.db2.gz QPGGYLAKJSMCDH-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685340839 493480932 /nfs/dbraw/zinc/48/09/32/493480932.db2.gz GXWXXWYZOOWXGO-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340839 493480934 /nfs/dbraw/zinc/48/09/34/493480934.db2.gz GXWXXWYZOOWXGO-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342104 493481866 /nfs/dbraw/zinc/48/18/66/493481866.db2.gz WOLDLPDAKGVWOT-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342104 493481868 /nfs/dbraw/zinc/48/18/68/493481868.db2.gz WOLDLPDAKGVWOT-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342104 493481871 /nfs/dbraw/zinc/48/18/71/493481871.db2.gz WOLDLPDAKGVWOT-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342104 493481874 /nfs/dbraw/zinc/48/18/74/493481874.db2.gz WOLDLPDAKGVWOT-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685501069 493498201 /nfs/dbraw/zinc/49/82/01/493498201.db2.gz AYGKDOQPHWYHBU-SFHVURJKSA-N 2 1 371.485 0.863 20 0 FCADMP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260429 493500502 /nfs/dbraw/zinc/50/05/02/493500502.db2.gz LGSYBFGMAVWJFS-IRXDYDNUSA-N 2 1 350.507 0.526 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662261751 493500903 /nfs/dbraw/zinc/50/09/03/493500903.db2.gz NLWQQGJEXAPRLU-QGZVFWFLSA-N 3 1 350.507 0.384 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000662280876 493502800 /nfs/dbraw/zinc/50/28/00/493502800.db2.gz GREDPXKWZRIHBU-HNNXBMFYSA-N 2 1 364.475 0.482 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000662280876 493502802 /nfs/dbraw/zinc/50/28/02/493502802.db2.gz GREDPXKWZRIHBU-HNNXBMFYSA-N 2 1 364.475 0.482 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299003 493504890 /nfs/dbraw/zinc/50/48/90/493504890.db2.gz ZDKNVTWVZUVYDO-YOEHRIQHSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486472 493506349 /nfs/dbraw/zinc/50/63/49/493506349.db2.gz NETGBMNTFOXNJM-SJLPKXTDSA-N 2 1 353.511 0.082 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000669486291 493506372 /nfs/dbraw/zinc/50/63/72/493506372.db2.gz SXALZXAHDGFCPU-QAETUUGQSA-N 2 1 356.511 0.881 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486429 493506863 /nfs/dbraw/zinc/50/68/63/493506863.db2.gz FATWCZZYJAXVGG-YESZJQIVSA-N 2 1 353.511 0.210 20 0 FCADMP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N1CCOCC1 ZINC000662327236 493506957 /nfs/dbraw/zinc/50/69/57/493506957.db2.gz GYRDDLHDRIMEIJ-UHFFFAOYSA-N 2 1 361.490 0.915 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491437 493507610 /nfs/dbraw/zinc/50/76/10/493507610.db2.gz ZDKBKDBBOHKIIQ-KBPBESRZSA-N 2 1 363.428 0.606 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC[NH+](C)CC1 ZINC000669490523 493507778 /nfs/dbraw/zinc/50/77/78/493507778.db2.gz MEFYLKURAGYDKF-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1F ZINC000662401930 493512864 /nfs/dbraw/zinc/51/28/64/493512864.db2.gz UTMRTVJLPRBYMX-WBMJQRKESA-N 2 1 366.412 0.635 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000662443631 493516130 /nfs/dbraw/zinc/51/61/30/493516130.db2.gz UVKHHGQNYGFPAB-MSOLQXFVSA-N 2 1 373.501 0.963 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668654 493530651 /nfs/dbraw/zinc/53/06/51/493530651.db2.gz OOZVKUFXIATVOC-HOTGVXAUSA-N 2 1 364.494 0.679 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662693055 493532018 /nfs/dbraw/zinc/53/20/18/493532018.db2.gz SGBXKSKMIHSOOX-DLBZAZTESA-N 2 1 360.458 0.305 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704663 493533187 /nfs/dbraw/zinc/53/31/87/493533187.db2.gz JOAPTDCTAOVTAH-SMDDNHRTSA-N 2 1 350.385 0.232 20 0 FCADMP CC1(C)CC[NH2+][C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662709919 493533611 /nfs/dbraw/zinc/53/36/11/493533611.db2.gz VALIQSPZIMPNFO-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000662723312 493534849 /nfs/dbraw/zinc/53/48/49/493534849.db2.gz KRPWIXKMRWVOHG-HOTGVXAUSA-N 2 1 364.494 0.776 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000662723312 493534851 /nfs/dbraw/zinc/53/48/51/493534851.db2.gz KRPWIXKMRWVOHG-HOTGVXAUSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250068 493535309 /nfs/dbraw/zinc/53/53/09/493535309.db2.gz VRYKCYYXTIBLDD-HPBDAGMYSA-N 2 1 368.522 0.773 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250068 493535312 /nfs/dbraw/zinc/53/53/12/493535312.db2.gz VRYKCYYXTIBLDD-HPBDAGMYSA-N 2 1 368.522 0.773 20 0 FCADMP C[C@@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)[C@H]1CN(C)CCO1 ZINC000676303493 493543165 /nfs/dbraw/zinc/54/31/65/493543165.db2.gz CUIOIYFWQOSQTJ-SJLPKXTDSA-N 2 1 368.522 0.849 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc(F)cc3F)C2)nn1 ZINC000662813571 493544518 /nfs/dbraw/zinc/54/45/18/493544518.db2.gz KXRZGXSLQMMBHH-IUODEOHRSA-N 2 1 350.373 0.879 20 0 FCADMP [NH3+]C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000662863508 493547903 /nfs/dbraw/zinc/54/79/03/493547903.db2.gz RWQXAAQBRMNYPJ-HNNXBMFYSA-N 2 1 352.479 0.087 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662951082 493559796 /nfs/dbraw/zinc/55/97/96/493559796.db2.gz HYERNXVLSGPFEV-RTBURBONSA-N 2 1 372.513 0.830 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000662953906 493560727 /nfs/dbraw/zinc/56/07/27/493560727.db2.gz RAIUXNGWEPHVMZ-ZIFCJYIRSA-N 2 1 372.513 0.971 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000662966014 493562085 /nfs/dbraw/zinc/56/20/85/493562085.db2.gz DZOGDXGSYPOKMY-SFHVURJKSA-N 2 1 358.486 0.712 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662972220 493562456 /nfs/dbraw/zinc/56/24/56/493562456.db2.gz ASZWIUULARTFMJ-KRWDZBQOSA-N 2 1 360.502 0.958 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432433 493566289 /nfs/dbraw/zinc/56/62/89/493566289.db2.gz NQKGTJLNFWHLOA-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670432433 493566290 /nfs/dbraw/zinc/56/62/90/493566290.db2.gz NQKGTJLNFWHLOA-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670432433 493566291 /nfs/dbraw/zinc/56/62/91/493566291.db2.gz NQKGTJLNFWHLOA-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000670525801 493576655 /nfs/dbraw/zinc/57/66/55/493576655.db2.gz USRXPHFOGQLJEX-CABCVRRESA-N 2 1 350.463 0.989 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363050 493585532 /nfs/dbraw/zinc/58/55/32/493585532.db2.gz GNGXDCORCGIBPD-HZPDHXFCSA-N 2 1 373.453 0.486 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000670670593 493586479 /nfs/dbraw/zinc/58/64/79/493586479.db2.gz HCDRBCNJCICJIN-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670709364 493589272 /nfs/dbraw/zinc/58/92/72/493589272.db2.gz OTKDYOHWUTXAEA-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000677237422 493592852 /nfs/dbraw/zinc/59/28/52/493592852.db2.gz GWRPFXBJYMBXAF-IRXDYDNUSA-N 2 1 358.490 0.732 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000670805041 493598643 /nfs/dbraw/zinc/59/86/43/493598643.db2.gz WWYDPSPLVBGFNK-HOCLYGCPSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000670805041 493598645 /nfs/dbraw/zinc/59/86/45/493598645.db2.gz WWYDPSPLVBGFNK-HOCLYGCPSA-N 2 1 354.495 0.058 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000663886868 493623311 /nfs/dbraw/zinc/62/33/11/493623311.db2.gz AVDOBTABXYGZOU-AWEZNQCLSA-N 2 1 352.483 0.489 20 0 FCADMP CCOCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671030854 493623977 /nfs/dbraw/zinc/62/39/77/493623977.db2.gz NEEZJTRNEHYDRU-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP Cc1c(C(=O)N2CC([NH+](C)C)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000677943050 493626075 /nfs/dbraw/zinc/62/60/75/493626075.db2.gz ZDNJFGIJSNEIJL-UHFFFAOYSA-N 2 1 354.458 0.950 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664066072 493634173 /nfs/dbraw/zinc/63/41/73/493634173.db2.gz QYADGDIJTYUILP-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664066072 493634174 /nfs/dbraw/zinc/63/41/74/493634174.db2.gz QYADGDIJTYUILP-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664066072 493634176 /nfs/dbraw/zinc/63/41/76/493634176.db2.gz QYADGDIJTYUILP-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000671109293 493636405 /nfs/dbraw/zinc/63/64/05/493636405.db2.gz UEORFYVNRVZRLI-IRXDYDNUSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000671109293 493636407 /nfs/dbraw/zinc/63/64/07/493636407.db2.gz UEORFYVNRVZRLI-IRXDYDNUSA-N 2 1 371.485 0.782 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664219540 493645333 /nfs/dbraw/zinc/64/53/33/493645333.db2.gz NHCBGFDLZRLGRX-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1C ZINC000664352162 493655336 /nfs/dbraw/zinc/65/53/36/493655336.db2.gz VNSZPAXJFZBZFF-HNNXBMFYSA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1C ZINC000664352162 493655338 /nfs/dbraw/zinc/65/53/38/493655338.db2.gz VNSZPAXJFZBZFF-HNNXBMFYSA-N 2 1 350.467 0.227 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671407011 493667443 /nfs/dbraw/zinc/66/74/43/493667443.db2.gz SGLIJDDHCUYKJP-BQJWPVKWSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671407011 493667445 /nfs/dbraw/zinc/66/74/45/493667445.db2.gz SGLIJDDHCUYKJP-BQJWPVKWSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671407011 493667447 /nfs/dbraw/zinc/66/74/47/493667447.db2.gz SGLIJDDHCUYKJP-BQJWPVKWSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671407011 493667448 /nfs/dbraw/zinc/66/74/48/493667448.db2.gz SGLIJDDHCUYKJP-BQJWPVKWSA-N 2 1 368.522 0.304 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000679369669 493676581 /nfs/dbraw/zinc/67/65/81/493676581.db2.gz XMTSAFPEJHFUSZ-XJKSGUPXSA-N 2 1 354.414 0.758 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000671815792 493706953 /nfs/dbraw/zinc/70/69/53/493706953.db2.gz FUITYWSEJRQACI-RKVPGOIHSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000671815792 493706956 /nfs/dbraw/zinc/70/69/56/493706956.db2.gz FUITYWSEJRQACI-RKVPGOIHSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000671815792 493706959 /nfs/dbraw/zinc/70/69/59/493706959.db2.gz FUITYWSEJRQACI-RKVPGOIHSA-N 2 1 360.502 0.815 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880935 493710823 /nfs/dbraw/zinc/71/08/23/493710823.db2.gz YFPKZIKIWZLHMX-SJORKVTESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000671880935 493710826 /nfs/dbraw/zinc/71/08/26/493710826.db2.gz YFPKZIKIWZLHMX-SJORKVTESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000671880935 493710827 /nfs/dbraw/zinc/71/08/27/493710827.db2.gz YFPKZIKIWZLHMX-SJORKVTESA-N 2 1 350.507 0.824 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671941582 493716648 /nfs/dbraw/zinc/71/66/48/493716648.db2.gz GCSBXWYUNBEIQD-GOEBONIOSA-N 2 1 354.495 0.202 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671941582 493716650 /nfs/dbraw/zinc/71/66/50/493716650.db2.gz GCSBXWYUNBEIQD-GOEBONIOSA-N 2 1 354.495 0.202 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556078 493723236 /nfs/dbraw/zinc/72/32/36/493723236.db2.gz QJKXWOMSLANYDO-CVEARBPZSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556078 493723237 /nfs/dbraw/zinc/72/32/37/493723237.db2.gz QJKXWOMSLANYDO-CVEARBPZSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556078 493723240 /nfs/dbraw/zinc/72/32/40/493723240.db2.gz QJKXWOMSLANYDO-CVEARBPZSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672007672 493723689 /nfs/dbraw/zinc/72/36/89/493723689.db2.gz LAONWRUIWMCPPV-UAGQMJEPSA-N 2 1 350.507 0.918 20 0 FCADMP COC1CC[NH+](CCNc2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000672232451 493744826 /nfs/dbraw/zinc/74/48/26/493744826.db2.gz UPYGBZYYYDOMNC-UHFFFAOYSA-N 2 1 353.471 0.619 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000672256682 493746714 /nfs/dbraw/zinc/74/67/14/493746714.db2.gz DSQPEHCXVKNRJH-QGZVFWFLSA-N 2 1 370.538 0.208 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304044 493752220 /nfs/dbraw/zinc/75/22/20/493752220.db2.gz FXTGUIHMWUGUQB-IRXDYDNUSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304044 493752223 /nfs/dbraw/zinc/75/22/23/493752223.db2.gz FXTGUIHMWUGUQB-IRXDYDNUSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304044 493752227 /nfs/dbraw/zinc/75/22/27/493752227.db2.gz FXTGUIHMWUGUQB-IRXDYDNUSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308752 493753454 /nfs/dbraw/zinc/75/34/54/493753454.db2.gz BFTBGIVAKXDPHL-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308752 493753456 /nfs/dbraw/zinc/75/34/56/493753456.db2.gz BFTBGIVAKXDPHL-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308752 493753458 /nfs/dbraw/zinc/75/34/58/493753458.db2.gz BFTBGIVAKXDPHL-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310088 493754202 /nfs/dbraw/zinc/75/42/02/493754202.db2.gz GKBJMKITNJELDD-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310088 493754204 /nfs/dbraw/zinc/75/42/04/493754204.db2.gz GKBJMKITNJELDD-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310088 493754206 /nfs/dbraw/zinc/75/42/06/493754206.db2.gz GKBJMKITNJELDD-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000410730411 527821622 /nfs/dbraw/zinc/82/16/22/527821622.db2.gz MNCZXXZRJWJVFX-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C ZINC000410730411 527821630 /nfs/dbraw/zinc/82/16/30/527821630.db2.gz MNCZXXZRJWJVFX-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C ZINC000410730411 527821631 /nfs/dbraw/zinc/82/16/31/527821631.db2.gz MNCZXXZRJWJVFX-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C ZINC000410730411 527821641 /nfs/dbraw/zinc/82/16/41/527821641.db2.gz MNCZXXZRJWJVFX-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000410721623 527822062 /nfs/dbraw/zinc/82/20/62/527822062.db2.gz XETLOKUOTPICBQ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000410721623 527822067 /nfs/dbraw/zinc/82/20/67/527822067.db2.gz XETLOKUOTPICBQ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000410812504 527828460 /nfs/dbraw/zinc/82/84/60/527828460.db2.gz XWGGWVPUNUONJC-IRXDYDNUSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000410812504 527828463 /nfs/dbraw/zinc/82/84/63/527828463.db2.gz XWGGWVPUNUONJC-IRXDYDNUSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000410812504 527828468 /nfs/dbraw/zinc/82/84/68/527828468.db2.gz XWGGWVPUNUONJC-IRXDYDNUSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410568363 527843668 /nfs/dbraw/zinc/84/36/68/527843668.db2.gz AXFBSJNLZBPVFG-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410568363 527843675 /nfs/dbraw/zinc/84/36/75/527843675.db2.gz AXFBSJNLZBPVFG-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410695529 527845723 /nfs/dbraw/zinc/84/57/23/527845723.db2.gz FXUMSEDDWINMQK-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410695529 527845729 /nfs/dbraw/zinc/84/57/29/527845729.db2.gz FXUMSEDDWINMQK-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410695534 527846229 /nfs/dbraw/zinc/84/62/29/527846229.db2.gz FXUMSEDDWINMQK-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410695534 527846234 /nfs/dbraw/zinc/84/62/34/527846234.db2.gz FXUMSEDDWINMQK-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000410926859 527891092 /nfs/dbraw/zinc/89/10/92/527891092.db2.gz QSGUCFPBOJXJLZ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000410926859 527891095 /nfs/dbraw/zinc/89/10/95/527891095.db2.gz QSGUCFPBOJXJLZ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1C ZINC000410708089 527962608 /nfs/dbraw/zinc/96/26/08/527962608.db2.gz AXFCLVYROYZIQX-CVEARBPZSA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1C ZINC000410708089 527962612 /nfs/dbraw/zinc/96/26/12/527962612.db2.gz AXFCLVYROYZIQX-CVEARBPZSA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H]1C ZINC000410700615 527964687 /nfs/dbraw/zinc/96/46/87/527964687.db2.gz KMBKOQGHKKCMHD-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H]1C ZINC000410700615 527964691 /nfs/dbraw/zinc/96/46/91/527964691.db2.gz KMBKOQGHKKCMHD-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000193292241 528014066 /nfs/dbraw/zinc/01/40/66/528014066.db2.gz GXYPQSYNBFRECC-SFHVURJKSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262088502 528356177 /nfs/dbraw/zinc/35/61/77/528356177.db2.gz RKYQVFYNCSUHDQ-TVFCKZIOSA-N 2 1 352.523 0.626 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC000410779769 528713070 /nfs/dbraw/zinc/71/30/70/528713070.db2.gz MLCKBVOEKUZTFU-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@H+]1C ZINC000410779769 528713078 /nfs/dbraw/zinc/71/30/78/528713078.db2.gz MLCKBVOEKUZTFU-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC[NH+]1C ZINC000410779769 528713081 /nfs/dbraw/zinc/71/30/81/528713081.db2.gz MLCKBVOEKUZTFU-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC[NH+]1C ZINC000410779769 528713088 /nfs/dbraw/zinc/71/30/88/528713088.db2.gz MLCKBVOEKUZTFU-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031261 529075368 /nfs/dbraw/zinc/07/53/68/529075368.db2.gz SLFXIRNNIXEDIX-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031261 529075371 /nfs/dbraw/zinc/07/53/71/529075371.db2.gz SLFXIRNNIXEDIX-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031261 529075376 /nfs/dbraw/zinc/07/53/76/529075376.db2.gz SLFXIRNNIXEDIX-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000410576257 529351460 /nfs/dbraw/zinc/35/14/60/529351460.db2.gz PZEGWUHMOIOQRR-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000410576257 529351464 /nfs/dbraw/zinc/35/14/64/529351464.db2.gz PZEGWUHMOIOQRR-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]1CCN(C)CC1 ZINC000419129261 534993051 /nfs/dbraw/zinc/99/30/51/534993051.db2.gz XXMWIFSUIJDCDG-IRXDYDNUSA-N 2 1 369.554 0.206 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424541167 535068879 /nfs/dbraw/zinc/06/88/79/535068879.db2.gz HFXASBXLATYESB-RCCFBDPRSA-N 2 1 358.486 0.819 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419698583 535072098 /nfs/dbraw/zinc/07/20/98/535072098.db2.gz PVONFDVJTRUNSV-XHSDSOJGSA-N 2 1 368.522 0.842 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419698216 535072383 /nfs/dbraw/zinc/07/23/83/535072383.db2.gz PFDUKKFCVNXJBV-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419692521 535073194 /nfs/dbraw/zinc/07/31/94/535073194.db2.gz GZRBATIZOLCJSK-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000419158928 535082918 /nfs/dbraw/zinc/08/29/18/535082918.db2.gz WUHRBYVRCSAYBM-BZUAXINKSA-N 2 1 368.522 0.700 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419385977 535087710 /nfs/dbraw/zinc/08/77/10/535087710.db2.gz DABJZSZESFBVDI-QGZVFWFLSA-N 2 1 374.485 0.044 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419390310 535087819 /nfs/dbraw/zinc/08/78/19/535087819.db2.gz IOLNNFHRGHIUFN-KRWDZBQOSA-N 2 1 358.486 0.793 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000414718921 535089809 /nfs/dbraw/zinc/08/98/09/535089809.db2.gz SXRMPTMQFBCVTH-UHFFFAOYSA-N 2 1 360.458 0.907 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375852 535717663 /nfs/dbraw/zinc/71/76/63/535717663.db2.gz FDPOTWDFRUNNOV-NHAYFPRASA-N 2 1 366.550 0.909 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423518941 535732644 /nfs/dbraw/zinc/73/26/44/535732644.db2.gz CTZKODUBXHMWGZ-WBVHZDCISA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC[N@H+]1CCOC ZINC000423518941 535732648 /nfs/dbraw/zinc/73/26/48/535732648.db2.gz CTZKODUBXHMWGZ-WBVHZDCISA-N 2 1 368.522 0.532 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419845239 535828160 /nfs/dbraw/zinc/82/81/60/535828160.db2.gz PKEPLPSTBLUOFY-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419845239 535828165 /nfs/dbraw/zinc/82/81/65/535828165.db2.gz PKEPLPSTBLUOFY-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423455943 536367476 /nfs/dbraw/zinc/36/74/76/536367476.db2.gz GFRMCATXYZHVKP-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423684191 536399150 /nfs/dbraw/zinc/39/91/50/536399150.db2.gz QZXRDNJWYJEMEY-RBUKOAKNSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423684191 536399152 /nfs/dbraw/zinc/39/91/52/536399152.db2.gz QZXRDNJWYJEMEY-RBUKOAKNSA-N 2 1 372.513 0.959 20 0 FCADMP CN1CCN(c2ncc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000441361325 536427102 /nfs/dbraw/zinc/42/71/02/536427102.db2.gz YYXVHVGTDLQFGQ-UHFFFAOYSA-N 2 1 361.538 0.344 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000441361325 536427106 /nfs/dbraw/zinc/42/71/06/536427106.db2.gz YYXVHVGTDLQFGQ-UHFFFAOYSA-N 3 1 361.538 0.344 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000441361325 536427108 /nfs/dbraw/zinc/42/71/08/536427108.db2.gz YYXVHVGTDLQFGQ-UHFFFAOYSA-N 3 1 361.538 0.344 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@@H]1C ZINC000423893604 536453450 /nfs/dbraw/zinc/45/34/50/536453450.db2.gz LJYKCSCEMCYATQ-GOEBONIOSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@@H]1C ZINC000423893604 536453454 /nfs/dbraw/zinc/45/34/54/536453454.db2.gz LJYKCSCEMCYATQ-GOEBONIOSA-N 2 1 363.462 0.517 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419766198 536481148 /nfs/dbraw/zinc/48/11/48/536481148.db2.gz RGRZJBPBCCVLCV-QYZOEREBSA-N 2 1 370.497 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419761529 536481171 /nfs/dbraw/zinc/48/11/71/536481171.db2.gz KJKAWXRSXVXVMU-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP COC[C@]1(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910439 536682269 /nfs/dbraw/zinc/68/22/69/536682269.db2.gz AWSVOVSVDCYCMC-RLFYNMQTSA-N 2 1 356.511 0.942 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419673292 536780350 /nfs/dbraw/zinc/78/03/50/536780350.db2.gz HCWMZGWOPPXOAU-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000419356012 537108239 /nfs/dbraw/zinc/10/82/39/537108239.db2.gz NVMXJEXAVZBWDO-INIZCTEOSA-N 2 1 362.474 0.756 20 0 FCADMP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000080064527 546569180 /nfs/dbraw/zinc/56/91/80/546569180.db2.gz ZLCHZLKXIVPMTM-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000592387762 546635995 /nfs/dbraw/zinc/63/59/95/546635995.db2.gz ANHXTQFCDQKKHW-OAHLLOKOSA-N 2 1 355.460 0.274 20 0 FCADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999580 546682195 /nfs/dbraw/zinc/68/21/95/546682195.db2.gz BFOTYTRVOYQTQA-ZNMIVQPWSA-N 2 1 351.447 0.197 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736190 546747181 /nfs/dbraw/zinc/74/71/81/546747181.db2.gz JHSIHOBPGKMTAI-ZQDZILKHSA-N 2 1 356.467 0.065 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736187 546747296 /nfs/dbraw/zinc/74/72/96/546747296.db2.gz JHSIHOBPGKMTAI-AJNGGQMLSA-N 2 1 356.467 0.065 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000151184893 546904645 /nfs/dbraw/zinc/90/46/45/546904645.db2.gz GOCDVEATSILKCM-ZOBUZTSGSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151184893 546904651 /nfs/dbraw/zinc/90/46/51/546904651.db2.gz GOCDVEATSILKCM-ZOBUZTSGSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715688 546928416 /nfs/dbraw/zinc/92/84/16/546928416.db2.gz JXMPXUTUCIJIRF-IRXDYDNUSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCCO1 ZINC000458715688 546928422 /nfs/dbraw/zinc/92/84/22/546928422.db2.gz JXMPXUTUCIJIRF-IRXDYDNUSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CCCO1 ZINC000458715688 546928424 /nfs/dbraw/zinc/92/84/24/546928424.db2.gz JXMPXUTUCIJIRF-IRXDYDNUSA-N 2 1 356.511 0.633 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000550456261 547087326 /nfs/dbraw/zinc/08/73/26/547087326.db2.gz CFNHHPZISLFYTC-HOCLYGCPSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000550456261 547087329 /nfs/dbraw/zinc/08/73/29/547087329.db2.gz CFNHHPZISLFYTC-HOCLYGCPSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000550456261 547087334 /nfs/dbraw/zinc/08/73/34/547087334.db2.gz CFNHHPZISLFYTC-HOCLYGCPSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000550456260 547087405 /nfs/dbraw/zinc/08/74/05/547087405.db2.gz CFNHHPZISLFYTC-GOEBONIOSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000550456260 547087411 /nfs/dbraw/zinc/08/74/11/547087411.db2.gz CFNHHPZISLFYTC-GOEBONIOSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000550456260 547087416 /nfs/dbraw/zinc/08/74/16/547087416.db2.gz CFNHHPZISLFYTC-GOEBONIOSA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000550840957 547110780 /nfs/dbraw/zinc/11/07/80/547110780.db2.gz XXBKAQOWWKWLKW-RVKKMQEKSA-N 2 1 370.563 0.871 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000550957729 547117256 /nfs/dbraw/zinc/11/72/56/547117256.db2.gz NJVKSNUCUUMNPC-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000550957729 547117261 /nfs/dbraw/zinc/11/72/61/547117261.db2.gz NJVKSNUCUUMNPC-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000550957729 547117266 /nfs/dbraw/zinc/11/72/66/547117266.db2.gz NJVKSNUCUUMNPC-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000552359176 547204056 /nfs/dbraw/zinc/20/40/56/547204056.db2.gz OIBXIOOWISOTPR-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000552359176 547204061 /nfs/dbraw/zinc/20/40/61/547204061.db2.gz OIBXIOOWISOTPR-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000552359176 547204066 /nfs/dbraw/zinc/20/40/66/547204066.db2.gz OIBXIOOWISOTPR-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000552359175 547204330 /nfs/dbraw/zinc/20/43/30/547204330.db2.gz OIBXIOOWISOTPR-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000552359175 547204335 /nfs/dbraw/zinc/20/43/35/547204335.db2.gz OIBXIOOWISOTPR-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000552359175 547204342 /nfs/dbraw/zinc/20/43/42/547204342.db2.gz OIBXIOOWISOTPR-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)CC[N@H+]1C ZINC000949211238 674397520 /nfs/dbraw/zinc/39/75/20/674397520.db2.gz RRVZVNNSPFDHME-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP O=C1[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292385 598961850 /nfs/dbraw/zinc/96/18/50/598961850.db2.gz ZZRNRHRNSBSIPJ-HIFRSBDPSA-N 2 1 364.413 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000949947157 674416741 /nfs/dbraw/zinc/41/67/41/674416741.db2.gz GWKYYKORQCQJIQ-KLHDSHLOSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000954412167 674496714 /nfs/dbraw/zinc/49/67/14/674496714.db2.gz DNEOJWAUMVKBOQ-JKSUJKDBSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000957014310 674533552 /nfs/dbraw/zinc/53/35/52/674533552.db2.gz WZXHWRKGTQOIDW-IDHHARJASA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480525 606860314 /nfs/dbraw/zinc/86/03/14/606860314.db2.gz LMLSGKKUSQXCML-RDTXWAMCSA-N 2 1 374.489 0.925 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000958169472 674560122 /nfs/dbraw/zinc/56/01/22/674560122.db2.gz QNDRURUQODFKOV-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000729617757 665736332 /nfs/dbraw/zinc/73/63/32/665736332.db2.gz GOXNTEXQFFIXDT-YESZJQIVSA-N 2 1 352.479 0.356 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000729617757 665736334 /nfs/dbraw/zinc/73/63/34/665736334.db2.gz GOXNTEXQFFIXDT-YESZJQIVSA-N 2 1 352.479 0.356 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000989995867 665836121 /nfs/dbraw/zinc/83/61/21/665836121.db2.gz AUOONYHRIDSDET-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969699002 663189599 /nfs/dbraw/zinc/18/95/99/663189599.db2.gz HNTSOPDSBCGUTJ-IIAWOOMASA-N 2 1 366.531 0.995 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969699002 663189601 /nfs/dbraw/zinc/18/96/01/663189601.db2.gz HNTSOPDSBCGUTJ-IIAWOOMASA-N 2 1 366.531 0.995 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969703129 663190035 /nfs/dbraw/zinc/19/00/35/663190035.db2.gz DRZANYNGQWHBBB-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969703129 663190038 /nfs/dbraw/zinc/19/00/38/663190038.db2.gz DRZANYNGQWHBBB-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022109565 663405819 /nfs/dbraw/zinc/40/58/19/663405819.db2.gz OVQINIXRLQCCAX-RBGFHDKUSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495570 663409832 /nfs/dbraw/zinc/40/98/32/663409832.db2.gz ZVNCDOVXYOTSJU-YJNKXOJESA-N 2 1 353.467 0.293 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891563452 663415809 /nfs/dbraw/zinc/41/58/09/663415809.db2.gz GYTVHWLSDBRNSR-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP COCCC1(NC(=O)NCCCCN2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000891579907 663416897 /nfs/dbraw/zinc/41/68/97/663416897.db2.gz OHTDRGBPGUEUPR-UHFFFAOYSA-N 2 1 355.527 0.472 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891952504 663454121 /nfs/dbraw/zinc/45/41/21/663454121.db2.gz IDNMNODXBLDPEW-JKSUJKDBSA-N 2 1 352.479 0.404 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892089006 663474864 /nfs/dbraw/zinc/47/48/64/663474864.db2.gz NYDDZCXDKPVFRR-BRWVUGGUSA-N 2 1 353.511 0.352 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097360 663475724 /nfs/dbraw/zinc/47/57/24/663475724.db2.gz NHHKEEWWONNZPZ-ZACQAIPSSA-N 2 1 353.511 0.223 20 0 FCADMP CC(C)[C@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCOCC1 ZINC000924457926 663555501 /nfs/dbraw/zinc/55/55/01/663555501.db2.gz UUBGLSFQMNMNEJ-HOTGVXAUSA-N 2 1 352.479 0.750 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001038274620 663624838 /nfs/dbraw/zinc/62/48/38/663624838.db2.gz ZRVYJTGTWYZFDO-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001038274620 663624840 /nfs/dbraw/zinc/62/48/40/663624840.db2.gz ZRVYJTGTWYZFDO-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001038274620 663624841 /nfs/dbraw/zinc/62/48/41/663624841.db2.gz ZRVYJTGTWYZFDO-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001038274620 663624843 /nfs/dbraw/zinc/62/48/43/663624843.db2.gz ZRVYJTGTWYZFDO-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001024035806 663866749 /nfs/dbraw/zinc/86/67/49/663866749.db2.gz BLHYYLJQWQNFOV-VHDGCEQUSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001024035806 663866752 /nfs/dbraw/zinc/86/67/52/663866752.db2.gz BLHYYLJQWQNFOV-VHDGCEQUSA-N 2 1 367.519 0.894 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000892596714 664045965 /nfs/dbraw/zinc/04/59/65/664045965.db2.gz QXUORJYFQQNVDK-JONQDZQNSA-N 2 1 352.479 0.796 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000892596714 664045967 /nfs/dbraw/zinc/04/59/67/664045967.db2.gz QXUORJYFQQNVDK-JONQDZQNSA-N 2 1 352.479 0.796 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000892648552 664059269 /nfs/dbraw/zinc/05/92/69/664059269.db2.gz FGIOPKNXHMUATN-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000892648552 664059271 /nfs/dbraw/zinc/05/92/71/664059271.db2.gz FGIOPKNXHMUATN-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000892648552 664059276 /nfs/dbraw/zinc/05/92/76/664059276.db2.gz FGIOPKNXHMUATN-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C2 ZINC000892878961 664152385 /nfs/dbraw/zinc/15/23/85/664152385.db2.gz HZRLIKPCEDEHJU-GFCCVEGCSA-N 2 1 353.492 0.516 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCCCO4)C[C@H]32)O1 ZINC001025818492 664195409 /nfs/dbraw/zinc/19/54/09/664195409.db2.gz XMTWWYWSUUTZDJ-OBRKIGFESA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@H]4CCCCO4)C[C@H]32)O1 ZINC001025818492 664195412 /nfs/dbraw/zinc/19/54/12/664195412.db2.gz XMTWWYWSUUTZDJ-OBRKIGFESA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@H]4CCCCO4)C[C@H]32)O1 ZINC001025818492 664195415 /nfs/dbraw/zinc/19/54/15/664195415.db2.gz XMTWWYWSUUTZDJ-OBRKIGFESA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@H]32)O1 ZINC001025818492 664195418 /nfs/dbraw/zinc/19/54/18/664195418.db2.gz XMTWWYWSUUTZDJ-OBRKIGFESA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCCCO4)C[C@H]32)O1 ZINC001025818492 664195420 /nfs/dbraw/zinc/19/54/20/664195420.db2.gz XMTWWYWSUUTZDJ-OBRKIGFESA-N 2 1 351.491 0.711 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CCC1 ZINC001025818429 664195472 /nfs/dbraw/zinc/19/54/72/664195472.db2.gz QGHAOMSYLSQZSK-YYOXGBMASA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818429 664195474 /nfs/dbraw/zinc/19/54/74/664195474.db2.gz QGHAOMSYLSQZSK-YYOXGBMASA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818429 664195476 /nfs/dbraw/zinc/19/54/76/664195476.db2.gz QGHAOMSYLSQZSK-YYOXGBMASA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818429 664195479 /nfs/dbraw/zinc/19/54/79/664195479.db2.gz QGHAOMSYLSQZSK-YYOXGBMASA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818429 664195481 /nfs/dbraw/zinc/19/54/81/664195481.db2.gz QGHAOMSYLSQZSK-YYOXGBMASA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001026917100 664277610 /nfs/dbraw/zinc/27/76/10/664277610.db2.gz VTARYMGOUIFTQQ-MGPQQGTHSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001026917100 664277612 /nfs/dbraw/zinc/27/76/12/664277612.db2.gz VTARYMGOUIFTQQ-MGPQQGTHSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749963 664279966 /nfs/dbraw/zinc/27/99/66/664279966.db2.gz GNCYAMVNQBTMMH-OIISXLGYSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749963 664279968 /nfs/dbraw/zinc/27/99/68/664279968.db2.gz GNCYAMVNQBTMMH-OIISXLGYSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749963 664279970 /nfs/dbraw/zinc/27/99/70/664279970.db2.gz GNCYAMVNQBTMMH-OIISXLGYSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CC3CCOCC3)CC2(C)C)O1 ZINC000974749963 664279971 /nfs/dbraw/zinc/27/99/71/664279971.db2.gz GNCYAMVNQBTMMH-OIISXLGYSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000979885440 664465383 /nfs/dbraw/zinc/46/53/83/664465383.db2.gz OOSPDEDXHJQQLE-LUKYLMHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001027892574 664472508 /nfs/dbraw/zinc/47/25/08/664472508.db2.gz ZLMWYBOUSGBIPQ-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001027892574 664472512 /nfs/dbraw/zinc/47/25/12/664472512.db2.gz ZLMWYBOUSGBIPQ-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001027892574 664472515 /nfs/dbraw/zinc/47/25/15/664472515.db2.gz ZLMWYBOUSGBIPQ-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001027892574 664472519 /nfs/dbraw/zinc/47/25/19/664472519.db2.gz ZLMWYBOUSGBIPQ-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC000981197719 664816959 /nfs/dbraw/zinc/81/69/59/664816959.db2.gz LRPPOVRRSXOTKV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC000981197719 664816961 /nfs/dbraw/zinc/81/69/61/664816961.db2.gz LRPPOVRRSXOTKV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)CC[NH+]1C ZINC000981197719 664816962 /nfs/dbraw/zinc/81/69/62/664816962.db2.gz LRPPOVRRSXOTKV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)CC[NH+]1C ZINC000981197719 664816964 /nfs/dbraw/zinc/81/69/64/664816964.db2.gz LRPPOVRRSXOTKV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCN(CC)C3=O)CC2)CC[N@@H+]1C ZINC000981200027 664817579 /nfs/dbraw/zinc/81/75/79/664817579.db2.gz JQBDUEUCRICBLS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCN(CC)C3=O)CC2)CC[N@H+]1C ZINC000981200027 664817583 /nfs/dbraw/zinc/81/75/83/664817583.db2.gz JQBDUEUCRICBLS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)CC2)CC[NH+]1C ZINC000981200027 664817585 /nfs/dbraw/zinc/81/75/85/664817585.db2.gz JQBDUEUCRICBLS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@@H]3CCN(CC)C3=O)CC2)CC[NH+]1C ZINC000981200027 664817587 /nfs/dbraw/zinc/81/75/87/664817587.db2.gz JQBDUEUCRICBLS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981649685 664834536 /nfs/dbraw/zinc/83/45/36/664834536.db2.gz LGIYICOYBRNGGS-UAGQMJEPSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699244 664860327 /nfs/dbraw/zinc/86/03/27/664860327.db2.gz IQYAXKGPHBLVRL-DLBZAZTESA-N 2 1 354.495 0.386 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000894374920 664962878 /nfs/dbraw/zinc/96/28/78/664962878.db2.gz GVUBELVJJNTBSP-UHFFFAOYSA-N 2 1 360.568 0.854 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001029314261 665013697 /nfs/dbraw/zinc/01/36/97/665013697.db2.gz LKUVDXBNWWSZFC-ZOFXXKQRSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001029314261 665013699 /nfs/dbraw/zinc/01/36/99/665013699.db2.gz LKUVDXBNWWSZFC-ZOFXXKQRSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)N(C)C)CC[NH+]1C ZINC001029314261 665013702 /nfs/dbraw/zinc/01/37/02/665013702.db2.gz LKUVDXBNWWSZFC-ZOFXXKQRSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)N(C)C)CC[NH+]1C ZINC001029314261 665013709 /nfs/dbraw/zinc/01/37/09/665013709.db2.gz LKUVDXBNWWSZFC-ZOFXXKQRSA-N 2 1 350.507 0.869 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCCO2)O1 ZINC001029357676 665019074 /nfs/dbraw/zinc/01/90/74/665019074.db2.gz PEZUXKBOHMSVHY-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCCCO2)O1 ZINC001029357676 665019077 /nfs/dbraw/zinc/01/90/77/665019077.db2.gz PEZUXKBOHMSVHY-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCCO2)O1 ZINC001029357676 665019082 /nfs/dbraw/zinc/01/90/82/665019082.db2.gz PEZUXKBOHMSVHY-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCCO2)O1 ZINC001029357676 665019085 /nfs/dbraw/zinc/01/90/85/665019085.db2.gz PEZUXKBOHMSVHY-UYTYNIKBSA-N 2 1 351.491 0.950 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCC(=O)NC(C)C ZINC000727277299 665030333 /nfs/dbraw/zinc/03/03/33/665030333.db2.gz KSHAGIVWKHKDPG-OAHLLOKOSA-N 2 1 357.568 0.733 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895300110 665036264 /nfs/dbraw/zinc/03/62/64/665036264.db2.gz XTPHDSKVPJSJNH-MRXNPFEDSA-N 2 1 354.495 0.509 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895300110 665036268 /nfs/dbraw/zinc/03/62/68/665036268.db2.gz XTPHDSKVPJSJNH-MRXNPFEDSA-N 2 1 354.495 0.509 20 0 FCADMP Cc1nocc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767056 665171414 /nfs/dbraw/zinc/17/14/14/665171414.db2.gz KXPWSVJQQBOUFY-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1nocc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767056 665171416 /nfs/dbraw/zinc/17/14/16/665171416.db2.gz KXPWSVJQQBOUFY-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1nocc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767056 665171417 /nfs/dbraw/zinc/17/14/17/665171417.db2.gz KXPWSVJQQBOUFY-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1nocc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767056 665171420 /nfs/dbraw/zinc/17/14/20/665171420.db2.gz KXPWSVJQQBOUFY-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC000988333627 665285365 /nfs/dbraw/zinc/28/53/65/665285365.db2.gz TVZMUBLKDQUZEQ-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000905333915 666019582 /nfs/dbraw/zinc/01/95/82/666019582.db2.gz MBJVGJZGBOWKBZ-UHFFFAOYSA-N 2 1 367.515 0.938 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000907202862 666106500 /nfs/dbraw/zinc/10/65/00/666106500.db2.gz KZTYIFLKBJXXNR-QGZVFWFLSA-N 2 1 353.507 0.794 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000908186921 666191845 /nfs/dbraw/zinc/19/18/45/666191845.db2.gz YLVMIRUOTJRCSV-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908541129 666211253 /nfs/dbraw/zinc/21/12/53/666211253.db2.gz QGCXPYJMFFDBDW-ADKAHSJRSA-N 2 1 353.507 0.840 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911033689 666307199 /nfs/dbraw/zinc/30/71/99/666307199.db2.gz JQUXVUIOVAPLPB-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000911529248 666362163 /nfs/dbraw/zinc/36/21/63/666362163.db2.gz BGBONDXHOYUUPC-UHFFFAOYSA-N 2 1 350.507 0.825 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000912587908 666459317 /nfs/dbraw/zinc/45/93/17/666459317.db2.gz HFXUZVBPTHXHHO-UHFFFAOYSA-N 2 1 354.539 0.613 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000939125500 666502801 /nfs/dbraw/zinc/50/28/01/666502801.db2.gz JJIPOUMVNPWAFM-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000939329518 666512158 /nfs/dbraw/zinc/51/21/58/666512158.db2.gz DOURGSVMLGUEKR-DRRXZNNHSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000939329518 666512159 /nfs/dbraw/zinc/51/21/59/666512159.db2.gz DOURGSVMLGUEKR-DRRXZNNHSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000939329518 666512160 /nfs/dbraw/zinc/51/21/60/666512160.db2.gz DOURGSVMLGUEKR-DRRXZNNHSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000939336026 666512544 /nfs/dbraw/zinc/51/25/44/666512544.db2.gz GOTHHAGTWBKUEH-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000940770386 666560983 /nfs/dbraw/zinc/56/09/83/666560983.db2.gz PRCBNAMVPMTUCY-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995150145 666630693 /nfs/dbraw/zinc/63/06/93/666630693.db2.gz BAMZKMJVRBTHJX-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000995150145 666630694 /nfs/dbraw/zinc/63/06/94/666630694.db2.gz BAMZKMJVRBTHJX-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995150145 666630696 /nfs/dbraw/zinc/63/06/96/666630696.db2.gz BAMZKMJVRBTHJX-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000913677512 666641260 /nfs/dbraw/zinc/64/12/60/666641260.db2.gz SKHUDYZNRCNHCW-UHFFFAOYSA-N 2 1 354.539 0.708 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827256 666891559 /nfs/dbraw/zinc/89/15/59/666891559.db2.gz TZBVBOZFBXXMIM-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995830799 666892283 /nfs/dbraw/zinc/89/22/83/666892283.db2.gz IPTKHJQMXFDBDA-KFWWJZLASA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC000996608526 666944659 /nfs/dbraw/zinc/94/46/59/666944659.db2.gz SREMQEUNDHSQOF-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000996604552 666945453 /nfs/dbraw/zinc/94/54/53/666945453.db2.gz UOCOVSNUEWVTAH-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ncnn3CCF)CC2)CC[N@H+]1C ZINC000996610373 666947070 /nfs/dbraw/zinc/94/70/70/666947070.db2.gz ZWEFBTABYXJTDF-UKRRQHHQSA-N 2 1 352.458 0.668 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000917224709 667065195 /nfs/dbraw/zinc/06/51/95/667065195.db2.gz SRMYHDLISKNARC-WBVHZDCISA-N 2 1 353.511 0.175 20 0 FCADMP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000925444022 667089220 /nfs/dbraw/zinc/08/92/20/667089220.db2.gz AYMFCLGLOLATQL-JKSUJKDBSA-N 2 1 350.463 0.646 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997597392 667166305 /nfs/dbraw/zinc/16/63/05/667166305.db2.gz VDZNVJKOIDSLPG-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000998790742 667221753 /nfs/dbraw/zinc/22/17/53/667221753.db2.gz DMMDFASGMPHTQN-SSHXOBKSSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2)[NH+](C)C ZINC000999150260 667228725 /nfs/dbraw/zinc/22/87/25/667228725.db2.gz LZTMZPKDBLIVEZ-HMDCTGQHSA-N 2 1 350.507 0.915 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999492719 667241443 /nfs/dbraw/zinc/24/14/43/667241443.db2.gz BZKILIHVMHWCGS-MRVWCRGKSA-N 2 1 353.492 0.646 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999492719 667241445 /nfs/dbraw/zinc/24/14/45/667241445.db2.gz BZKILIHVMHWCGS-MRVWCRGKSA-N 2 1 353.492 0.646 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC001002239908 667525872 /nfs/dbraw/zinc/52/58/72/667525872.db2.gz TWDRMEFHGIHNNV-NVXWUHKLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@H+]1C ZINC001002263160 667527617 /nfs/dbraw/zinc/52/76/17/667527617.db2.gz JCVNVJARGMZDNM-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC001002263160 667527619 /nfs/dbraw/zinc/52/76/19/667527619.db2.gz JCVNVJARGMZDNM-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC001002263160 667527621 /nfs/dbraw/zinc/52/76/21/667527621.db2.gz JCVNVJARGMZDNM-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002850925 667570689 /nfs/dbraw/zinc/57/06/89/667570689.db2.gz DEULPPVGRPCTMY-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002850925 667570691 /nfs/dbraw/zinc/57/06/91/667570691.db2.gz DEULPPVGRPCTMY-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP COCc1noc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000961848767 674830729 /nfs/dbraw/zinc/83/07/29/674830729.db2.gz IRXQNNZRIMLWEQ-BLYZHGLHSA-N 2 1 351.451 0.541 20 0 FCADMP COCc1noc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000961848767 674830732 /nfs/dbraw/zinc/83/07/32/674830732.db2.gz IRXQNNZRIMLWEQ-BLYZHGLHSA-N 2 1 351.451 0.541 20 0 FCADMP CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033289112 667727548 /nfs/dbraw/zinc/72/75/48/667727548.db2.gz GTGIIZXOWNWRQB-ZACQAIPSSA-N 2 1 357.470 0.759 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001005407794 667739909 /nfs/dbraw/zinc/73/99/09/667739909.db2.gz VDZVXBWOMPGKAJ-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001005407794 667739911 /nfs/dbraw/zinc/73/99/11/667739911.db2.gz VDZVXBWOMPGKAJ-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001005408487 667740098 /nfs/dbraw/zinc/74/00/98/667740098.db2.gz ZSCKJKZUPHHJFG-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)O1 ZINC001034673873 667763336 /nfs/dbraw/zinc/76/33/36/667763336.db2.gz COOIULFGEGVGDG-RGCMKSIDSA-N 2 1 353.492 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)O1 ZINC001034673873 667763338 /nfs/dbraw/zinc/76/33/38/667763338.db2.gz COOIULFGEGVGDG-RGCMKSIDSA-N 2 1 353.492 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@H](C)C(=O)NC)C3)CC2)CC[N@@H+]1C ZINC001035710181 667790187 /nfs/dbraw/zinc/79/01/87/667790187.db2.gz JVUACSLBVRUZBS-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@H](C)C(=O)NC)C3)CC2)CC[N@H+]1C ZINC001035710181 667790188 /nfs/dbraw/zinc/79/01/88/667790188.db2.gz JVUACSLBVRUZBS-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378446 667829348 /nfs/dbraw/zinc/82/93/48/667829348.db2.gz CKIXSMWVFRDNOY-GVDBMIGSSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC000961990545 674853065 /nfs/dbraw/zinc/85/30/65/674853065.db2.gz KGYQUBYGPWPSCS-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC000961990545 674853066 /nfs/dbraw/zinc/85/30/66/674853066.db2.gz KGYQUBYGPWPSCS-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP CCn1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000961991772 674853300 /nfs/dbraw/zinc/85/33/00/674853300.db2.gz SFUBCXCQIDJHFN-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000961991772 674853303 /nfs/dbraw/zinc/85/33/03/674853303.db2.gz SFUBCXCQIDJHFN-UWLZSVRSSA-N 2 1 350.467 0.002 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000764500896 667985370 /nfs/dbraw/zinc/98/53/70/667985370.db2.gz ASJHCROHMNHUEL-HOTGVXAUSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000764500896 667985373 /nfs/dbraw/zinc/98/53/73/667985373.db2.gz ASJHCROHMNHUEL-HOTGVXAUSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000764500896 667985374 /nfs/dbraw/zinc/98/53/74/667985374.db2.gz ASJHCROHMNHUEL-HOTGVXAUSA-N 2 1 367.563 0.584 20 0 FCADMP COCCOC[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365113 668875265 /nfs/dbraw/zinc/87/52/65/668875265.db2.gz HMRHADZHYUJIFW-QAPCUYQASA-N 2 1 353.463 0.845 20 0 FCADMP COCCOC[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365113 668875266 /nfs/dbraw/zinc/87/52/66/668875266.db2.gz HMRHADZHYUJIFW-QAPCUYQASA-N 2 1 353.463 0.845 20 0 FCADMP CC(=O)N1CC[C@@H](C[N@@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376014 668875774 /nfs/dbraw/zinc/87/57/74/668875774.db2.gz UMPDNGZRESSADW-MAUKXSAKSA-N 2 1 350.463 0.661 20 0 FCADMP CC(=O)N1CC[C@@H](C[N@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376014 668875776 /nfs/dbraw/zinc/87/57/76/668875776.db2.gz UMPDNGZRESSADW-MAUKXSAKSA-N 2 1 350.463 0.661 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000818782852 668945675 /nfs/dbraw/zinc/94/56/75/668945675.db2.gz TUFDKICZGHCKGX-HHARLNAUSA-N 2 1 352.479 0.137 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000818782852 668945686 /nfs/dbraw/zinc/94/56/86/668945686.db2.gz TUFDKICZGHCKGX-HHARLNAUSA-N 2 1 352.479 0.137 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000818782852 668945688 /nfs/dbraw/zinc/94/56/88/668945688.db2.gz TUFDKICZGHCKGX-HHARLNAUSA-N 2 1 352.479 0.137 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000818967191 668966066 /nfs/dbraw/zinc/96/60/66/668966066.db2.gz YZCBKMCNWHJUBY-MRXNPFEDSA-N 2 1 356.511 0.584 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000818967191 668966069 /nfs/dbraw/zinc/96/60/69/668966069.db2.gz YZCBKMCNWHJUBY-MRXNPFEDSA-N 2 1 356.511 0.584 20 0 FCADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795934345 669072083 /nfs/dbraw/zinc/07/20/83/669072083.db2.gz KSTQLHMBEXTQBF-SFHVURJKSA-N 2 1 353.507 0.916 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064830 669360833 /nfs/dbraw/zinc/36/08/33/669360833.db2.gz YVCNIWXTPVGSIR-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC000829891858 669731069 /nfs/dbraw/zinc/73/10/69/669731069.db2.gz VHUGSNIEUIPRET-FPAYPSAMSA-N 2 1 353.507 0.693 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738340 669972528 /nfs/dbraw/zinc/97/25/28/669972528.db2.gz WHMJUZFKUPJAGG-CAOSSQGBSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738340 669972531 /nfs/dbraw/zinc/97/25/31/669972531.db2.gz WHMJUZFKUPJAGG-CAOSSQGBSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738340 669972534 /nfs/dbraw/zinc/97/25/34/669972534.db2.gz WHMJUZFKUPJAGG-CAOSSQGBSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738340 669972536 /nfs/dbraw/zinc/97/25/36/669972536.db2.gz WHMJUZFKUPJAGG-CAOSSQGBSA-N 2 1 354.495 0.153 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000818341211 670097796 /nfs/dbraw/zinc/09/77/96/670097796.db2.gz WYLDQHVFMNEWSB-HNNXBMFYSA-N 2 1 352.479 0.751 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842050204 670630455 /nfs/dbraw/zinc/63/04/55/670630455.db2.gz PZRLSIYRVVUSRY-OLMMMNRUSA-N 2 1 350.507 0.824 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)NC(=O)N[C@@H]1C ZINC000842472398 670692141 /nfs/dbraw/zinc/69/21/41/670692141.db2.gz GGQVKPGSRZVCQS-TZMCWYRMSA-N 2 1 350.463 0.969 20 0 FCADMP C[C@](C[NH3+])([NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000843355615 670805050 /nfs/dbraw/zinc/80/50/50/670805050.db2.gz HAUFBAUAIUIUPL-MRXNPFEDSA-N 2 1 351.451 0.379 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354997 670805143 /nfs/dbraw/zinc/80/51/43/670805143.db2.gz IFQMGKLGYIQYRU-UHFFFAOYSA-N 2 1 370.475 0.483 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843364223 670808418 /nfs/dbraw/zinc/80/84/18/670808418.db2.gz SXQNRDMSZQPQRK-UHFFFAOYSA-N 2 1 366.487 0.738 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000843388942 670811945 /nfs/dbraw/zinc/81/19/45/670811945.db2.gz YUAFYJQDBWLEHK-CVEARBPZSA-N 2 1 352.479 0.609 20 0 FCADMP [NH2+]=C(NCCCn1cc(Br)cn1)NCCC[NH+]1CCOCC1 ZINC000849077394 671317158 /nfs/dbraw/zinc/31/71/58/671317158.db2.gz GEOZDOZSHWHSKZ-UHFFFAOYSA-N 2 1 373.299 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001048829863 675899497 /nfs/dbraw/zinc/89/94/97/675899497.db2.gz AHGAHKURZOABJK-UHDSXZAQSA-N 2 1 350.507 0.584 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001048829863 675899498 /nfs/dbraw/zinc/89/94/98/675899498.db2.gz AHGAHKURZOABJK-UHDSXZAQSA-N 2 1 350.507 0.584 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001048829863 675899499 /nfs/dbraw/zinc/89/94/99/675899499.db2.gz AHGAHKURZOABJK-UHDSXZAQSA-N 2 1 350.507 0.584 20 0 FCADMP CS(=O)(=O)N1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903091076 675913262 /nfs/dbraw/zinc/91/32/62/675913262.db2.gz MTZCTEJRIDCHJZ-ZXFUBFMLSA-N 2 1 356.536 0.311 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000853347849 671546705 /nfs/dbraw/zinc/54/67/05/671546705.db2.gz RSUVFKQMRQTFDK-JKSUJKDBSA-N 2 1 355.527 0.768 20 0 FCADMP C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511478 675935955 /nfs/dbraw/zinc/93/59/55/675935955.db2.gz VFFOVGIQILTARJ-NRSFXHEJSA-N 2 1 350.507 0.571 20 0 FCADMP C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903562425 675945096 /nfs/dbraw/zinc/94/50/96/675945096.db2.gz MVJBLFCTRCHIHA-OIISXLGYSA-N 2 1 356.536 0.864 20 0 FCADMP C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903562425 675945097 /nfs/dbraw/zinc/94/50/97/675945097.db2.gz MVJBLFCTRCHIHA-OIISXLGYSA-N 2 1 356.536 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049483474 675950614 /nfs/dbraw/zinc/95/06/14/675950614.db2.gz XPYJAHMUBRJMMC-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049483474 675950616 /nfs/dbraw/zinc/95/06/16/675950616.db2.gz XPYJAHMUBRJMMC-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483474 675950618 /nfs/dbraw/zinc/95/06/18/675950618.db2.gz XPYJAHMUBRJMMC-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483474 675950621 /nfs/dbraw/zinc/95/06/21/675950621.db2.gz XPYJAHMUBRJMMC-LVQVYYBASA-N 2 1 357.520 0.437 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000863555416 672139094 /nfs/dbraw/zinc/13/90/94/672139094.db2.gz RNIMXPBSTNDKPK-UHFFFAOYSA-N 2 1 350.463 0.759 20 0 FCADMP CCN1CC[NH+](CCCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865412243 672242274 /nfs/dbraw/zinc/24/22/74/672242274.db2.gz LIQYGRGMTCRJEQ-SFHVURJKSA-N 2 1 350.511 0.964 20 0 FCADMP C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055609609 676027066 /nfs/dbraw/zinc/02/70/66/676027066.db2.gz MOGXMNKVQIVQIH-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001056674691 676048602 /nfs/dbraw/zinc/04/86/02/676048602.db2.gz BCCMWRCQHPDTLW-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnon3)CC2)O1 ZINC001050336231 676081968 /nfs/dbraw/zinc/08/19/68/676081968.db2.gz JTUWWTJZQINTHE-IXYNUQLISA-N 2 1 351.451 0.553 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnon3)CC2)O1 ZINC001050336231 676081972 /nfs/dbraw/zinc/08/19/72/676081972.db2.gz JTUWWTJZQINTHE-IXYNUQLISA-N 2 1 351.451 0.553 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)sn1 ZINC001051624927 676107228 /nfs/dbraw/zinc/10/72/28/676107228.db2.gz VZAZOKHNLDUTIF-VNHYZAJKSA-N 2 1 368.503 0.809 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001052395351 676122828 /nfs/dbraw/zinc/12/28/28/676122828.db2.gz QGEBAEMTJKCHQN-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001052395351 676122831 /nfs/dbraw/zinc/12/28/31/676122831.db2.gz QGEBAEMTJKCHQN-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001052395351 676122834 /nfs/dbraw/zinc/12/28/34/676122834.db2.gz QGEBAEMTJKCHQN-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001052395351 676122836 /nfs/dbraw/zinc/12/28/36/676122836.db2.gz QGEBAEMTJKCHQN-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883439364 673375524 /nfs/dbraw/zinc/37/55/24/673375524.db2.gz PTZDIZUQNXLVOL-FXUDXRNXSA-N 2 1 351.447 0.582 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883770667 673395196 /nfs/dbraw/zinc/39/51/96/673395196.db2.gz XLWWEJJQCPMZNB-HOCLYGCPSA-N 2 1 353.511 0.569 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883770667 673395197 /nfs/dbraw/zinc/39/51/97/673395197.db2.gz XLWWEJJQCPMZNB-HOCLYGCPSA-N 2 1 353.511 0.569 20 0 FCADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001006347765 673399311 /nfs/dbraw/zinc/39/93/11/673399311.db2.gz YLCZPEHIPZLYSB-CKEIUWERSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884577805 673463571 /nfs/dbraw/zinc/46/35/71/673463571.db2.gz MNXZTTJWUSOUPJ-VVLHAWIVSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603571 673464983 /nfs/dbraw/zinc/46/49/83/673464983.db2.gz MEQNUDBBZQLIMF-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601472 673465014 /nfs/dbraw/zinc/46/50/14/673465014.db2.gz MDDVBABEAOLVFZ-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000884626435 673467232 /nfs/dbraw/zinc/46/72/32/673467232.db2.gz LJUQRWUMLJJFKQ-DOXZYTNZSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000884626436 673467254 /nfs/dbraw/zinc/46/72/54/673467254.db2.gz LJUQRWUMLJJFKQ-KHYOSLBOSA-N 2 1 350.507 0.953 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643115 673469329 /nfs/dbraw/zinc/46/93/29/673469329.db2.gz XOFLUVRQKSAIRP-KSSFIOAISA-N 2 1 354.495 0.047 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000884670322 673471161 /nfs/dbraw/zinc/47/11/61/673471161.db2.gz WGQKKYUXSWUVSW-FDYHWXHSSA-N 2 1 362.396 0.325 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000884669609 673471225 /nfs/dbraw/zinc/47/12/25/673471225.db2.gz AUKULSSVOWGUME-DOXZYTNZSA-N 2 1 350.507 0.953 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884954334 673493207 /nfs/dbraw/zinc/49/32/07/673493207.db2.gz CMLLYQBMVBXXBZ-HZPDHXFCSA-N 2 1 369.535 0.967 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885010523 673497626 /nfs/dbraw/zinc/49/76/26/673497626.db2.gz QGTQQRQKPRXWNK-WCXIOVBPSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885284542 673511945 /nfs/dbraw/zinc/51/19/45/673511945.db2.gz AYZSQMZBLZCPFU-MJBXVCDLSA-N 2 1 358.433 0.433 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000885889212 673553410 /nfs/dbraw/zinc/55/34/10/673553410.db2.gz YYJDDDBYSXTWGF-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000885889212 673553412 /nfs/dbraw/zinc/55/34/12/673553412.db2.gz YYJDDDBYSXTWGF-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000885889212 673553415 /nfs/dbraw/zinc/55/34/15/673553415.db2.gz YYJDDDBYSXTWGF-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000886837162 673601631 /nfs/dbraw/zinc/60/16/31/673601631.db2.gz BYLMCNBTNZCOLE-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000886837162 673601633 /nfs/dbraw/zinc/60/16/33/673601633.db2.gz BYLMCNBTNZCOLE-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000886837162 673601635 /nfs/dbraw/zinc/60/16/35/673601635.db2.gz BYLMCNBTNZCOLE-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887422976 673630536 /nfs/dbraw/zinc/63/05/36/673630536.db2.gz FZTCECSAHDOWHJ-QGZVFWFLSA-N 2 1 351.543 0.721 20 0 FCADMP CC(C)CN(CCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1)CC[NH+](C)C ZINC000887422976 673630538 /nfs/dbraw/zinc/63/05/38/673630538.db2.gz FZTCECSAHDOWHJ-QGZVFWFLSA-N 2 1 351.543 0.721 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000888026141 673664329 /nfs/dbraw/zinc/66/43/29/673664329.db2.gz POZOPKOESSYRBX-KBPBESRZSA-N 2 1 350.467 0.589 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1N=NC(=O)N1C ZINC000889582952 673680487 /nfs/dbraw/zinc/68/04/87/673680487.db2.gz VETDNGZIRHVKTP-CYBMUJFWSA-N 2 1 353.471 0.078 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1n[nH]c(=O)n1C ZINC000889582952 673680490 /nfs/dbraw/zinc/68/04/90/673680490.db2.gz VETDNGZIRHVKTP-CYBMUJFWSA-N 2 1 353.471 0.078 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1n[nH]c(=O)n1C ZINC000889582952 673680492 /nfs/dbraw/zinc/68/04/92/673680492.db2.gz VETDNGZIRHVKTP-CYBMUJFWSA-N 2 1 353.471 0.078 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000926445606 673831892 /nfs/dbraw/zinc/83/18/92/673831892.db2.gz XXWWGTMXKSIFOL-YLFCFFPRSA-N 2 1 350.507 0.761 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000926445606 673831896 /nfs/dbraw/zinc/83/18/96/673831896.db2.gz XXWWGTMXKSIFOL-YLFCFFPRSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927636186 673872941 /nfs/dbraw/zinc/87/29/41/673872941.db2.gz KQOVSFRWPADDHB-BFYDXBDKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636186 673872943 /nfs/dbraw/zinc/87/29/43/673872943.db2.gz KQOVSFRWPADDHB-BFYDXBDKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636186 673872945 /nfs/dbraw/zinc/87/29/45/673872945.db2.gz KQOVSFRWPADDHB-BFYDXBDKSA-N 2 1 354.495 0.336 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642837 673875041 /nfs/dbraw/zinc/87/50/41/673875041.db2.gz ZAGFULGSCBEKCM-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927642837 673875043 /nfs/dbraw/zinc/87/50/43/673875043.db2.gz ZAGFULGSCBEKCM-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929429117 673955971 /nfs/dbraw/zinc/95/59/71/673955971.db2.gz XEVQNZVUPAZECE-RDGPPVDQSA-N 2 1 355.523 0.379 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929429117 673955973 /nfs/dbraw/zinc/95/59/73/673955973.db2.gz XEVQNZVUPAZECE-RDGPPVDQSA-N 2 1 355.523 0.379 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001007375584 675288522 /nfs/dbraw/zinc/28/85/22/675288522.db2.gz FDCCPIDLZIFVDG-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011209804 675376814 /nfs/dbraw/zinc/37/68/14/675376814.db2.gz RMTNFRWOECTARD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011209804 675376816 /nfs/dbraw/zinc/37/68/16/675376816.db2.gz RMTNFRWOECTARD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011209804 675376818 /nfs/dbraw/zinc/37/68/18/675376818.db2.gz RMTNFRWOECTARD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1nc(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001019032071 675419979 /nfs/dbraw/zinc/41/99/79/675419979.db2.gz DCPRFUXOOOGBEG-IVMMDQJWSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1nc(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001019032071 675419982 /nfs/dbraw/zinc/41/99/82/675419982.db2.gz DCPRFUXOOOGBEG-IVMMDQJWSA-N 2 1 352.504 0.904 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020172108 675436488 /nfs/dbraw/zinc/43/64/88/675436488.db2.gz MIGRPHKACDKYEG-YIDVYQOGSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C)[NH+](C)C ZINC001020368682 675442109 /nfs/dbraw/zinc/44/21/09/675442109.db2.gz VHLWORYVTGAMKM-LYYZXLFJSA-N 2 1 354.495 0.151 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C)[NH+](C)C ZINC001020368682 675442110 /nfs/dbraw/zinc/44/21/10/675442110.db2.gz VHLWORYVTGAMKM-LYYZXLFJSA-N 2 1 354.495 0.151 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438689 675681696 /nfs/dbraw/zinc/68/16/96/675681696.db2.gz CFLMSNKRMIKITL-HIEASXQVSA-N 2 1 351.491 0.857 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000900443393 675682717 /nfs/dbraw/zinc/68/27/17/675682717.db2.gz WNLHZVOEALPXTJ-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000900443393 675682718 /nfs/dbraw/zinc/68/27/18/675682718.db2.gz WNLHZVOEALPXTJ-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000900443393 675682719 /nfs/dbraw/zinc/68/27/19/675682719.db2.gz WNLHZVOEALPXTJ-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCN2CC[NH+](CC)CC2)C1 ZINC000900688099 675707466 /nfs/dbraw/zinc/70/74/66/675707466.db2.gz YIAKLAWAWOEUJH-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCN2CC[NH+](CC)CC2)C1 ZINC000900688099 675707467 /nfs/dbraw/zinc/70/74/67/675707467.db2.gz YIAKLAWAWOEUJH-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900802433 675717432 /nfs/dbraw/zinc/71/74/32/675717432.db2.gz FJEWKEJCHMBRQU-BFWZDYSYSA-N 2 1 352.523 0.628 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000900944102 675733920 /nfs/dbraw/zinc/73/39/20/675733920.db2.gz HITDFFAMTFUVES-YOEHRIQHSA-N 2 1 357.520 0.815 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000900944102 675733922 /nfs/dbraw/zinc/73/39/22/675733922.db2.gz HITDFFAMTFUVES-YOEHRIQHSA-N 2 1 357.520 0.815 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000901183785 675767164 /nfs/dbraw/zinc/76/71/64/675767164.db2.gz DTEPAGNEWHVOIK-UHFFFAOYSA-N 2 1 351.495 0.875 20 0 FCADMP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000801544912 675790676 /nfs/dbraw/zinc/79/06/76/675790676.db2.gz WNMHGABRBYTFAE-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001048606513 675866741 /nfs/dbraw/zinc/86/67/41/675866741.db2.gz QICLPCZYQUWEAH-HHARLNAUSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000969123832 1167733746 /nfs/dbraw/zinc/73/37/46/1167733746.db2.gz ZDPQKHAXHSHXAK-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969123832 1167733754 /nfs/dbraw/zinc/73/37/54/1167733754.db2.gz ZDPQKHAXHSHXAK-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969123832 1167733763 /nfs/dbraw/zinc/73/37/63/1167733763.db2.gz ZDPQKHAXHSHXAK-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480866316 1167946530 /nfs/dbraw/zinc/94/65/30/1167946530.db2.gz YHASOERCUGOJFZ-IJEWVQPXSA-N 2 1 350.463 0.673 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480866316 1167946535 /nfs/dbraw/zinc/94/65/35/1167946535.db2.gz YHASOERCUGOJFZ-IJEWVQPXSA-N 2 1 350.463 0.673 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480866316 1167946542 /nfs/dbraw/zinc/94/65/42/1167946542.db2.gz YHASOERCUGOJFZ-IJEWVQPXSA-N 2 1 350.463 0.673 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480866316 1167946549 /nfs/dbraw/zinc/94/65/49/1167946549.db2.gz YHASOERCUGOJFZ-IJEWVQPXSA-N 2 1 350.463 0.673 20 0 FCADMP CCc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001125305485 1168111307 /nfs/dbraw/zinc/11/13/07/1168111307.db2.gz SGAJXIGUYQEOGA-XOKHGSTOSA-N 2 1 363.506 0.943 20 0 FCADMP CCc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001125305485 1168111310 /nfs/dbraw/zinc/11/13/10/1168111310.db2.gz SGAJXIGUYQEOGA-XOKHGSTOSA-N 2 1 363.506 0.943 20 0 FCADMP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001167092530 1168161705 /nfs/dbraw/zinc/16/17/05/1168161705.db2.gz HEQCDUQBXVDHMV-MSOLQXFVSA-N 2 1 356.474 0.756 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104265174 1168848253 /nfs/dbraw/zinc/84/82/53/1168848253.db2.gz WILNQPZCUMZNKV-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CO[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212036013 1192340992 /nfs/dbraw/zinc/34/09/92/1192340992.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 1 368.522 0.541 20 0 FCADMP CO[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001212036013 1192340995 /nfs/dbraw/zinc/34/09/95/1192340995.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 1 368.522 0.541 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104291082 1169648399 /nfs/dbraw/zinc/64/83/99/1169648399.db2.gz IOUDEFUJEZLMCQ-OAGGEKHMSA-N 2 1 361.490 0.923 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001021635724 1169856201 /nfs/dbraw/zinc/85/62/01/1169856201.db2.gz DXKYDMMFFDMVMM-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)CC[N@H+]1C ZINC001021941013 1170329148 /nfs/dbraw/zinc/32/91/48/1170329148.db2.gz DNJJLGNJWNPWSC-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)CC[NH+]1C ZINC001021941013 1170329152 /nfs/dbraw/zinc/32/91/52/1170329152.db2.gz DNJJLGNJWNPWSC-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)CC[NH+]1C ZINC001021941013 1170329161 /nfs/dbraw/zinc/32/91/61/1170329161.db2.gz DNJJLGNJWNPWSC-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]21)C1CCC1 ZINC001021941947 1170330399 /nfs/dbraw/zinc/33/03/99/1170330399.db2.gz WMNBNTHLTNRUPM-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941947 1170330404 /nfs/dbraw/zinc/33/04/04/1170330404.db2.gz WMNBNTHLTNRUPM-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941947 1170330409 /nfs/dbraw/zinc/33/04/09/1170330409.db2.gz WMNBNTHLTNRUPM-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000124188819 1170430178 /nfs/dbraw/zinc/43/01/78/1170430178.db2.gz DFAQQBMNIPJGAK-YOEHRIQHSA-N 2 1 362.474 0.830 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000124188819 1170430188 /nfs/dbraw/zinc/43/01/88/1170430188.db2.gz DFAQQBMNIPJGAK-YOEHRIQHSA-N 2 1 362.474 0.830 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104362667 1170483169 /nfs/dbraw/zinc/48/31/69/1170483169.db2.gz CDONNDAYNSLPRK-HZPDHXFCSA-N 2 1 367.538 0.816 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001022274610 1170824272 /nfs/dbraw/zinc/82/42/72/1170824272.db2.gz AFUOUFSNPPHNOB-BPKGMFCQSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001022274610 1170824273 /nfs/dbraw/zinc/82/42/73/1170824273.db2.gz AFUOUFSNPPHNOB-BPKGMFCQSA-N 2 1 366.506 0.343 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000328869947 1170832899 /nfs/dbraw/zinc/83/28/99/1170832899.db2.gz HUZZBYZHUOPEFJ-UHFFFAOYSA-N 2 1 363.506 0.074 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891740641 1170840719 /nfs/dbraw/zinc/84/07/19/1170840719.db2.gz WAARCBPYMBMWNQ-BZSNNMDCSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891740641 1170840722 /nfs/dbraw/zinc/84/07/22/1170840722.db2.gz WAARCBPYMBMWNQ-BZSNNMDCSA-N 2 1 368.522 0.584 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC001691217068 1170862514 /nfs/dbraw/zinc/86/25/14/1170862514.db2.gz VJEOTGIBYOCTMR-ZMSDIMECSA-N 2 1 366.506 0.202 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC001691217068 1170862516 /nfs/dbraw/zinc/86/25/16/1170862516.db2.gz VJEOTGIBYOCTMR-ZMSDIMECSA-N 2 1 366.506 0.202 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691217055 1170862835 /nfs/dbraw/zinc/86/28/35/1170862835.db2.gz UZSQQTDFOYBQLH-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691217055 1170862838 /nfs/dbraw/zinc/86/28/38/1170862838.db2.gz UZSQQTDFOYBQLH-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1)c1nnnn1C ZINC001087175334 1170872796 /nfs/dbraw/zinc/87/27/96/1170872796.db2.gz INHUMQFQAZNQND-YCPHGPKFSA-N 2 1 363.510 0.972 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1)c1nnnn1C ZINC001087175334 1170872797 /nfs/dbraw/zinc/87/27/97/1170872797.db2.gz INHUMQFQAZNQND-YCPHGPKFSA-N 2 1 363.510 0.972 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691263551 1170986607 /nfs/dbraw/zinc/98/66/07/1170986607.db2.gz WEPNFZWFFAWVBQ-YESZJQIVSA-N 2 1 367.538 0.910 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001691358732 1171203874 /nfs/dbraw/zinc/20/38/74/1171203874.db2.gz SBBOLKQZLFZMMV-NFAWXSAZSA-N 2 1 367.494 0.271 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001691382337 1171243723 /nfs/dbraw/zinc/24/37/23/1171243723.db2.gz QKAHAPCPHDVAHC-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001691382337 1171243741 /nfs/dbraw/zinc/24/37/41/1171243741.db2.gz QKAHAPCPHDVAHC-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001022524122 1171362859 /nfs/dbraw/zinc/36/28/59/1171362859.db2.gz MOVUKUYRGSFWAW-HRCADAONSA-N 2 1 359.474 0.884 20 0 FCADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC[N@@H+](C)CCO)cccc21 ZINC000892214056 1171754356 /nfs/dbraw/zinc/75/43/56/1171754356.db2.gz MXHSLUICUZHMOY-HNNXBMFYSA-N 2 1 364.446 0.051 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972144882 1171800145 /nfs/dbraw/zinc/80/01/45/1171800145.db2.gz UXDIZZZWCLIMRK-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723329 1171819387 /nfs/dbraw/zinc/81/93/87/1171819387.db2.gz QLPUWVFTJGWBFT-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723329 1171819390 /nfs/dbraw/zinc/81/93/90/1171819390.db2.gz QLPUWVFTJGWBFT-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723329 1171819395 /nfs/dbraw/zinc/81/93/95/1171819395.db2.gz QLPUWVFTJGWBFT-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746246 1171852510 /nfs/dbraw/zinc/85/25/10/1171852510.db2.gz JMUCHLJVQCHSOW-JFRXWTBNSA-N 2 1 368.485 0.897 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022747003 1171855897 /nfs/dbraw/zinc/85/58/97/1171855897.db2.gz WFKQSMPVOCMJHG-WKULXVSPSA-N 2 1 356.470 0.457 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104422218 1171952853 /nfs/dbraw/zinc/95/28/53/1171952853.db2.gz GOSDPLLPPRDVQQ-GDBMZVCRSA-N 2 1 362.478 0.291 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249665 1172026728 /nfs/dbraw/zinc/02/67/28/1172026728.db2.gz QSAGHOSSWMTJTM-YESZJQIVSA-N 2 1 363.502 0.809 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211557281 1172066716 /nfs/dbraw/zinc/06/67/16/1172066716.db2.gz KMLIRPYDZHPXGS-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000989066394 1192670504 /nfs/dbraw/zinc/67/05/04/1192670504.db2.gz GLJGAVBJTXUYRA-FMKPAKJESA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088658745 1192806119 /nfs/dbraw/zinc/80/61/19/1192806119.db2.gz SNPNUXMWEATMTA-TXCZRRACSA-N 2 1 362.474 0.183 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088658745 1192806121 /nfs/dbraw/zinc/80/61/21/1192806121.db2.gz SNPNUXMWEATMTA-TXCZRRACSA-N 2 1 362.474 0.183 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccn(C)c(=O)c1 ZINC001088658745 1192806124 /nfs/dbraw/zinc/80/61/24/1192806124.db2.gz SNPNUXMWEATMTA-TXCZRRACSA-N 2 1 362.474 0.183 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccn(C)c(=O)c1 ZINC001088658745 1192806126 /nfs/dbraw/zinc/80/61/26/1192806126.db2.gz SNPNUXMWEATMTA-TXCZRRACSA-N 2 1 362.474 0.183 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897835171 1192848170 /nfs/dbraw/zinc/84/81/70/1192848170.db2.gz XVXUXAYATRRDHW-IEBWSBKVSA-N 2 1 358.486 0.960 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897835171 1192848171 /nfs/dbraw/zinc/84/81/71/1192848171.db2.gz XVXUXAYATRRDHW-IEBWSBKVSA-N 2 1 358.486 0.960 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573124 1192889166 /nfs/dbraw/zinc/88/91/66/1192889166.db2.gz KACNMYQAXRRYBR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573124 1192889170 /nfs/dbraw/zinc/88/91/70/1192889170.db2.gz KACNMYQAXRRYBR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573124 1192889171 /nfs/dbraw/zinc/88/91/71/1192889171.db2.gz KACNMYQAXRRYBR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001691574107 1192889443 /nfs/dbraw/zinc/88/94/43/1192889443.db2.gz IRVFCLDQBPQDEA-XHSDSOJGSA-N 2 1 354.495 0.108 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001691574107 1192889444 /nfs/dbraw/zinc/88/94/44/1192889444.db2.gz IRVFCLDQBPQDEA-XHSDSOJGSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001691576948 1192890444 /nfs/dbraw/zinc/89/04/44/1192890444.db2.gz ZZEBDGABBYFHFH-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001691576948 1192890446 /nfs/dbraw/zinc/89/04/46/1192890446.db2.gz ZZEBDGABBYFHFH-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnnn2C)CC1 ZINC001087230573 1178843518 /nfs/dbraw/zinc/84/35/18/1178843518.db2.gz BJIUIOXFAGRQRD-CVEARBPZSA-N 2 1 363.510 0.659 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)ccc2c[nH+]cn21 ZINC001023216968 1179233686 /nfs/dbraw/zinc/23/36/86/1179233686.db2.gz RAKNBLJNEPKGRX-IXDOHACOSA-N 2 1 371.441 0.038 20 0 FCADMP CN1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+](C)CC1 ZINC000888991244 1179262025 /nfs/dbraw/zinc/26/20/25/1179262025.db2.gz USGSADRNXYUOJK-UHFFFAOYSA-N 2 1 374.533 0.300 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211603810 1179745682 /nfs/dbraw/zinc/74/56/82/1179745682.db2.gz TTYYGDSINBMFGK-NRSFXHEJSA-N 2 1 358.486 0.657 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000972644300 1180153420 /nfs/dbraw/zinc/15/34/20/1180153420.db2.gz NLTHWRSMFXWFHI-BRWVUGGUSA-N 2 1 371.485 0.916 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623400 1180210026 /nfs/dbraw/zinc/21/00/26/1180210026.db2.gz FHGGABQNKZXFAR-BZZMCLGOSA-N 2 1 374.485 0.036 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623400 1180210034 /nfs/dbraw/zinc/21/00/34/1180210034.db2.gz FHGGABQNKZXFAR-BZZMCLGOSA-N 2 1 374.485 0.036 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211623808 1180219184 /nfs/dbraw/zinc/21/91/84/1180219184.db2.gz UHJHEPKXCFZRKD-RCCFBDPRSA-N 2 1 358.486 0.801 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001691479733 1180484580 /nfs/dbraw/zinc/48/45/80/1180484580.db2.gz FGZFSOMDVVSPPM-LSDHHAIUSA-N 2 1 364.490 0.589 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892430550 1180871241 /nfs/dbraw/zinc/87/12/41/1180871241.db2.gz KVMPJDSTJQIRCL-KZNAEPCWSA-N 2 1 367.538 0.600 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001024492659 1181241127 /nfs/dbraw/zinc/24/11/27/1181241127.db2.gz IYLJFUCPHNIJIG-JCURWCKSSA-N 2 1 371.441 0.349 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001024503986 1181254826 /nfs/dbraw/zinc/25/48/26/1181254826.db2.gz MYEMEDSZORZSHG-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCCS(=O)(=O)C1 ZINC001480975571 1181860059 /nfs/dbraw/zinc/86/00/59/1181860059.db2.gz BTXYFNQFBXLQDM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCCS(=O)(=O)C1 ZINC001480975571 1181860061 /nfs/dbraw/zinc/86/00/61/1181860061.db2.gz BTXYFNQFBXLQDM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H]1CCCS(=O)(=O)C1 ZINC001480975571 1181860065 /nfs/dbraw/zinc/86/00/65/1181860065.db2.gz BTXYFNQFBXLQDM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H]1CCCS(=O)(=O)C1 ZINC001480975571 1181860066 /nfs/dbraw/zinc/86/00/66/1181860066.db2.gz BTXYFNQFBXLQDM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892648676 1182003649 /nfs/dbraw/zinc/00/36/49/1182003649.db2.gz LMPRFQAOSONYID-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892648676 1182003653 /nfs/dbraw/zinc/00/36/53/1182003653.db2.gz LMPRFQAOSONYID-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892648676 1182003657 /nfs/dbraw/zinc/00/36/57/1182003657.db2.gz LMPRFQAOSONYID-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000892650814 1182004324 /nfs/dbraw/zinc/00/43/24/1182004324.db2.gz QZBWYAUQXIGXDX-BBWFWOEESA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000892650814 1182004329 /nfs/dbraw/zinc/00/43/29/1182004329.db2.gz QZBWYAUQXIGXDX-BBWFWOEESA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000892650814 1182004335 /nfs/dbraw/zinc/00/43/35/1182004335.db2.gz QZBWYAUQXIGXDX-BBWFWOEESA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC[N@H+]1C ZINC000973331593 1182232090 /nfs/dbraw/zinc/23/20/90/1182232090.db2.gz XHMGPEPPQVMSMY-VUVWGQCBSA-N 2 1 359.474 0.627 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104676671 1182359493 /nfs/dbraw/zinc/35/94/93/1182359493.db2.gz SXDZLKUVYQVZND-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104679571 1182360332 /nfs/dbraw/zinc/36/03/32/1182360332.db2.gz KSYREUMMEWFVDJ-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892773255 1182495692 /nfs/dbraw/zinc/49/56/92/1182495692.db2.gz BXSFQIBKDBOTFF-QGZVFWFLSA-N 2 1 368.522 0.897 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083284184 1182517945 /nfs/dbraw/zinc/51/79/45/1182517945.db2.gz VPXGNSPRSYTKRC-ZWKOTPCHSA-N 2 1 361.490 0.671 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083284184 1182517952 /nfs/dbraw/zinc/51/79/52/1182517952.db2.gz VPXGNSPRSYTKRC-ZWKOTPCHSA-N 2 1 361.490 0.671 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000892918198 1182579320 /nfs/dbraw/zinc/57/93/20/1182579320.db2.gz UIYMQVNVDAYDAN-UHFFFAOYSA-N 2 1 365.522 0.796 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063294 1182877612 /nfs/dbraw/zinc/87/76/12/1182877612.db2.gz DUZXIVSYJSKEFD-NYLIBXOJSA-N 2 1 368.481 0.267 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063294 1182877618 /nfs/dbraw/zinc/87/76/18/1182877618.db2.gz DUZXIVSYJSKEFD-NYLIBXOJSA-N 2 1 368.481 0.267 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063294 1182877621 /nfs/dbraw/zinc/87/76/21/1182877621.db2.gz DUZXIVSYJSKEFD-NYLIBXOJSA-N 2 1 368.481 0.267 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000974124827 1183009468 /nfs/dbraw/zinc/00/94/68/1183009468.db2.gz WPVCLFSLSOLLEN-MXASKKJJSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000974124827 1183009480 /nfs/dbraw/zinc/00/94/80/1183009480.db2.gz WPVCLFSLSOLLEN-MXASKKJJSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007982 1183065013 /nfs/dbraw/zinc/06/50/13/1183065013.db2.gz KXVITEZBOWZGRU-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)CC1CC1 ZINC001105007544 1183065887 /nfs/dbraw/zinc/06/58/87/1183065887.db2.gz BMXWYVJXIMJOJN-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010635 1183068311 /nfs/dbraw/zinc/06/83/11/1183068311.db2.gz UDRLJIPAJMSHKY-NXHRZFHOSA-N 2 1 368.522 0.165 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)C1 ZINC001105040249 1183088344 /nfs/dbraw/zinc/08/83/44/1183088344.db2.gz GCHHSFMOJDRDDY-BZUAXINKSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncn3C)C2)C1 ZINC001105040249 1183088351 /nfs/dbraw/zinc/08/83/51/1183088351.db2.gz GCHHSFMOJDRDDY-BZUAXINKSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)C1 ZINC001105041118 1183089303 /nfs/dbraw/zinc/08/93/03/1183089303.db2.gz XRPOPQXSRRUEQQ-ZACQAIPSSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)C1 ZINC001105041118 1183089309 /nfs/dbraw/zinc/08/93/09/1183089309.db2.gz XRPOPQXSRRUEQQ-ZACQAIPSSA-N 2 1 363.506 0.715 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H](C)OC)nn3)C2)CC[N@@H+]1C ZINC001105244271 1183154421 /nfs/dbraw/zinc/15/44/21/1183154421.db2.gz ULAVTWJHJQPOFU-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H](C)OC)nn3)C2)CC[N@H+]1C ZINC001105244271 1183154423 /nfs/dbraw/zinc/15/44/23/1183154423.db2.gz ULAVTWJHJQPOFU-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268590 1183167137 /nfs/dbraw/zinc/16/71/37/1183167137.db2.gz UIWPDDFSQQHIIK-JJRVBVJISA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268590 1183167144 /nfs/dbraw/zinc/16/71/44/1183167144.db2.gz UIWPDDFSQQHIIK-JJRVBVJISA-N 2 1 364.494 0.516 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001267943682 1183171191 /nfs/dbraw/zinc/17/11/91/1183171191.db2.gz YJBCQVLWYRMFCN-UKRRQHHQSA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001267943682 1183171194 /nfs/dbraw/zinc/17/11/94/1183171194.db2.gz YJBCQVLWYRMFCN-UKRRQHHQSA-N 2 1 364.494 0.167 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000974588753 1183355707 /nfs/dbraw/zinc/35/57/07/1183355707.db2.gz HJBABUWXGGSRRA-ZTFGCOKTSA-N 2 1 371.485 0.915 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001026853433 1183423577 /nfs/dbraw/zinc/42/35/77/1183423577.db2.gz HADAZYIZMYRUPG-OWCLPIDISA-N 2 1 363.510 0.922 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)C1 ZINC000974723685 1183501335 /nfs/dbraw/zinc/50/13/35/1183501335.db2.gz UKPBTVUXZJNIPM-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727334 1183505451 /nfs/dbraw/zinc/50/54/51/1183505451.db2.gz YQHVDHQXZMRVCQ-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727334 1183505464 /nfs/dbraw/zinc/50/54/64/1183505464.db2.gz YQHVDHQXZMRVCQ-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727334 1183505481 /nfs/dbraw/zinc/50/54/81/1183505481.db2.gz YQHVDHQXZMRVCQ-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727334 1183505501 /nfs/dbraw/zinc/50/55/01/1183505501.db2.gz YQHVDHQXZMRVCQ-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000975367864 1183842552 /nfs/dbraw/zinc/84/25/52/1183842552.db2.gz OAPARLLEEHHJJR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000975367864 1183842553 /nfs/dbraw/zinc/84/25/53/1183842553.db2.gz OAPARLLEEHHJJR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC000975718534 1185637536 /nfs/dbraw/zinc/63/75/36/1185637536.db2.gz IZEZMZZQJSENMA-ULQDDVLXSA-N 2 1 360.502 0.483 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976503667 1185963286 /nfs/dbraw/zinc/96/32/86/1185963286.db2.gz AOLMNJKSSNJUSI-OBRKIGFESA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503667 1185963289 /nfs/dbraw/zinc/96/32/89/1185963289.db2.gz AOLMNJKSSNJUSI-OBRKIGFESA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503667 1185963296 /nfs/dbraw/zinc/96/32/96/1185963296.db2.gz AOLMNJKSSNJUSI-OBRKIGFESA-N 2 1 362.518 0.772 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000978970886 1186039123 /nfs/dbraw/zinc/03/91/23/1186039123.db2.gz SIDQKEODIUOXNK-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000978970886 1186039128 /nfs/dbraw/zinc/03/91/28/1186039128.db2.gz SIDQKEODIUOXNK-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000978970886 1186039132 /nfs/dbraw/zinc/03/91/32/1186039132.db2.gz SIDQKEODIUOXNK-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000978970886 1186039140 /nfs/dbraw/zinc/03/91/40/1186039140.db2.gz SIDQKEODIUOXNK-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000978982216 1186042921 /nfs/dbraw/zinc/04/29/21/1186042921.db2.gz RCSHQLHWYLWSAE-TXCZRRACSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000978982216 1186042926 /nfs/dbraw/zinc/04/29/26/1186042926.db2.gz RCSHQLHWYLWSAE-TXCZRRACSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979874681 1186134678 /nfs/dbraw/zinc/13/46/78/1186134678.db2.gz HHFDGTPHBAYTAH-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979874681 1186134687 /nfs/dbraw/zinc/13/46/87/1186134687.db2.gz HHFDGTPHBAYTAH-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000979874681 1186134691 /nfs/dbraw/zinc/13/46/91/1186134691.db2.gz HHFDGTPHBAYTAH-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000979874681 1186134694 /nfs/dbraw/zinc/13/46/94/1186134694.db2.gz HHFDGTPHBAYTAH-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)C2 ZINC001112530530 1186136638 /nfs/dbraw/zinc/13/66/38/1186136638.db2.gz YXCDQIXYLVKGOE-DOXZYTNZSA-N 2 1 359.474 0.458 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000980225829 1186201299 /nfs/dbraw/zinc/20/12/99/1186201299.db2.gz SIQBYBCKRZXCPH-RDHHWEPZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000980225829 1186201303 /nfs/dbraw/zinc/20/13/03/1186201303.db2.gz SIQBYBCKRZXCPH-RDHHWEPZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000980240352 1186203396 /nfs/dbraw/zinc/20/33/96/1186203396.db2.gz XZVKLULERKHYIP-RDHHWEPZSA-N 2 1 362.518 0.966 20 0 FCADMP CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776856 1186517725 /nfs/dbraw/zinc/51/77/25/1186517725.db2.gz YVWUJMRYUVGGFI-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2CCCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776856 1186517726 /nfs/dbraw/zinc/51/77/26/1186517726.db2.gz YVWUJMRYUVGGFI-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2CCCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000981776856 1186517731 /nfs/dbraw/zinc/51/77/31/1186517731.db2.gz YVWUJMRYUVGGFI-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCCNC2=O)C3)CC[N@H+]1C ZINC000981778290 1186519193 /nfs/dbraw/zinc/51/91/93/1186519193.db2.gz FOSMWMZLZMNALA-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC001268309386 1186704614 /nfs/dbraw/zinc/70/46/14/1186704614.db2.gz WVQQZKPLSBWWEY-ATZDWAIDSA-N 2 1 371.485 0.779 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102003 1187616757 /nfs/dbraw/zinc/61/67/57/1187616757.db2.gz IDKYMYIMIGVMSM-RRFJBIMHSA-N 2 1 369.510 0.150 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102268 1187617567 /nfs/dbraw/zinc/61/75/67/1187617567.db2.gz JJJOWINDWQZENT-KCPJHIHWSA-N 2 1 364.494 0.647 20 0 FCADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462905 1187648249 /nfs/dbraw/zinc/64/82/49/1187648249.db2.gz FXAVGRFZQRFLAB-KZNAEPCWSA-N 2 1 365.449 0.423 20 0 FCADMP CN1CCO[C@@H](C(=O)N[C@@H]2CN(CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462905 1187648257 /nfs/dbraw/zinc/64/82/57/1187648257.db2.gz FXAVGRFZQRFLAB-KZNAEPCWSA-N 2 1 365.449 0.423 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000982994574 1187810188 /nfs/dbraw/zinc/81/01/88/1187810188.db2.gz OTHZNENCQJWVLV-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000982994574 1187810189 /nfs/dbraw/zinc/81/01/89/1187810189.db2.gz OTHZNENCQJWVLV-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813703 1187915256 /nfs/dbraw/zinc/91/52/56/1187915256.db2.gz MRQGPJHUFWWUJS-GVDBMIGSSA-N 2 1 369.469 0.861 20 0 FCADMP CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1)C(N)=[NH2+] ZINC001269992341 1187961399 /nfs/dbraw/zinc/96/13/99/1187961399.db2.gz HLUGJFFXGUQTOG-SFHVURJKSA-N 2 1 360.462 0.427 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc2[nH]c(N)[nH+]c2c1 ZINC001270272713 1188074122 /nfs/dbraw/zinc/07/41/22/1188074122.db2.gz RHRNCPZKOJGSNH-OKILXGFUSA-N 2 1 358.446 0.232 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCc2c[nH+]cn21 ZINC001270286103 1188079477 /nfs/dbraw/zinc/07/94/77/1188079477.db2.gz DEKLBMZDMXERII-BRWVUGGUSA-N 2 1 359.474 0.914 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033757 1188213094 /nfs/dbraw/zinc/21/30/94/1188213094.db2.gz HLACFYDTXWFAIX-HKUYNNGSSA-N 2 1 372.513 0.876 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000785400001 1188219833 /nfs/dbraw/zinc/21/98/33/1188219833.db2.gz SNTVPNMBEAORMZ-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCOCC2)C1 ZINC000550271460 1188252472 /nfs/dbraw/zinc/25/24/72/1188252472.db2.gz OFSRIKSBDOUQPU-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550271460 1188252475 /nfs/dbraw/zinc/25/24/75/1188252475.db2.gz OFSRIKSBDOUQPU-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000550271460 1188252476 /nfs/dbraw/zinc/25/24/76/1188252476.db2.gz OFSRIKSBDOUQPU-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP O=C(NC1CCCCC1)NC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC000586049267 1188279349 /nfs/dbraw/zinc/27/93/49/1188279349.db2.gz OCUMFYUSYAJYNP-UHFFFAOYSA-N 2 1 351.495 0.515 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCc4ncnn43)C2)CC[N@H+]1C ZINC000983714309 1188281412 /nfs/dbraw/zinc/28/14/12/1188281412.db2.gz PSTONZIMYSKASJ-OVYGPGRDSA-N 2 1 360.506 0.980 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382765334 1188311797 /nfs/dbraw/zinc/31/17/97/1188311797.db2.gz RVHYXPJUQCYWCG-IRXDYDNUSA-N 2 1 367.515 0.729 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000550412999 1188366691 /nfs/dbraw/zinc/36/66/91/1188366691.db2.gz PVUZWYLHTFTOSL-SFHVURJKSA-N 2 1 360.502 0.828 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001270878817 1188394096 /nfs/dbraw/zinc/39/40/96/1188394096.db2.gz CKEAQGPNEURSHB-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H](O)Cn2cccn2)CC[N@H+]1C ZINC001029313560 1189373862 /nfs/dbraw/zinc/37/38/62/1189373862.db2.gz GAUGAVYNQAZDEE-DFBDCSAJSA-N 2 1 361.490 0.259 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)Cn2cccn2)CC[NH+]1C ZINC001029313560 1189373869 /nfs/dbraw/zinc/37/38/69/1189373869.db2.gz GAUGAVYNQAZDEE-DFBDCSAJSA-N 2 1 361.490 0.259 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](O)Cn2cccn2)CC[NH+]1C ZINC001029313560 1189373874 /nfs/dbraw/zinc/37/38/74/1189373874.db2.gz GAUGAVYNQAZDEE-DFBDCSAJSA-N 2 1 361.490 0.259 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CCn1nc(C)nc1C ZINC001087529637 1189384266 /nfs/dbraw/zinc/38/42/66/1189384266.db2.gz OCAGEGAETNKVCI-BBWFWOEESA-N 2 1 364.494 0.195 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)cn1 ZINC001075803836 1189393753 /nfs/dbraw/zinc/39/37/53/1189393753.db2.gz GTOIJVLQLYPTSD-FUHWJXTLSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)cn1 ZINC001075803836 1189393758 /nfs/dbraw/zinc/39/37/58/1189393758.db2.gz GTOIJVLQLYPTSD-FUHWJXTLSA-N 2 1 371.489 0.525 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808886 1189463284 /nfs/dbraw/zinc/46/32/84/1189463284.db2.gz HNHNKKNLPWOIRU-BVPBIZIASA-N 2 1 360.506 0.768 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808886 1189463289 /nfs/dbraw/zinc/46/32/89/1189463289.db2.gz HNHNKKNLPWOIRU-BVPBIZIASA-N 2 1 360.506 0.768 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808886 1189463293 /nfs/dbraw/zinc/46/32/93/1189463293.db2.gz HNHNKKNLPWOIRU-BVPBIZIASA-N 2 1 360.506 0.768 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001075811763 1189581551 /nfs/dbraw/zinc/58/15/51/1189581551.db2.gz DEUIHILBUXEXJK-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001075811763 1189581570 /nfs/dbraw/zinc/58/15/70/1189581570.db2.gz DEUIHILBUXEXJK-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001075811763 1189581574 /nfs/dbraw/zinc/58/15/74/1189581574.db2.gz DEUIHILBUXEXJK-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001075811763 1189581593 /nfs/dbraw/zinc/58/15/93/1189581593.db2.gz DEUIHILBUXEXJK-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001087622652 1189672326 /nfs/dbraw/zinc/67/23/26/1189672326.db2.gz ZRJURVOXJPRSSZ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCc1cnn(C)c1 ZINC001087622652 1189672332 /nfs/dbraw/zinc/67/23/32/1189672332.db2.gz ZRJURVOXJPRSSZ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCc1cnn(C)c1 ZINC001087622652 1189672341 /nfs/dbraw/zinc/67/23/41/1189672341.db2.gz ZRJURVOXJPRSSZ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCc1cnn(C)c1 ZINC001087622652 1189672349 /nfs/dbraw/zinc/67/23/49/1189672349.db2.gz ZRJURVOXJPRSSZ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087712371 1189800197 /nfs/dbraw/zinc/80/01/97/1189800197.db2.gz FFGSUQBERJMGOO-JKSUJKDBSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087796953 1189828179 /nfs/dbraw/zinc/82/81/79/1189828179.db2.gz RWBKXJWWFDIFPV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087796953 1189828182 /nfs/dbraw/zinc/82/81/82/1189828182.db2.gz RWBKXJWWFDIFPV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087796953 1189828187 /nfs/dbraw/zinc/82/81/87/1189828187.db2.gz RWBKXJWWFDIFPV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000895333999 1189835977 /nfs/dbraw/zinc/83/59/77/1189835977.db2.gz NUEJZDYLILEHKM-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCN1CCNC1=O ZINC001087840620 1189848676 /nfs/dbraw/zinc/84/86/76/1189848676.db2.gz GNWBCYYJVSDNPX-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCN1CCNC1=O ZINC001087840620 1189848677 /nfs/dbraw/zinc/84/86/77/1189848677.db2.gz GNWBCYYJVSDNPX-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCN1CCNC1=O ZINC001087840620 1189848678 /nfs/dbraw/zinc/84/86/78/1189848678.db2.gz GNWBCYYJVSDNPX-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n[nH]1 ZINC000896154730 1189976504 /nfs/dbraw/zinc/97/65/04/1189976504.db2.gz FRQTWLYKJFWGHY-KRWDZBQOSA-N 2 1 374.489 0.557 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964674 1190012304 /nfs/dbraw/zinc/01/23/04/1190012304.db2.gz VYHDWKQQPLDPIW-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964674 1190012305 /nfs/dbraw/zinc/01/23/05/1190012305.db2.gz VYHDWKQQPLDPIW-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964674 1190012310 /nfs/dbraw/zinc/01/23/10/1190012310.db2.gz VYHDWKQQPLDPIW-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964674 1190012315 /nfs/dbraw/zinc/01/23/15/1190012315.db2.gz VYHDWKQQPLDPIW-SOLBZPMBSA-N 2 1 360.506 0.968 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CCC1 ZINC001087992340 1190142259 /nfs/dbraw/zinc/14/22/59/1190142259.db2.gz QALATLSFYBVGRP-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993392 1190143740 /nfs/dbraw/zinc/14/37/40/1190143740.db2.gz MTLPGMBXSRRLFK-IXDOHACOSA-N 2 1 363.506 0.132 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994883 1190148219 /nfs/dbraw/zinc/14/82/19/1190148219.db2.gz IOPDOBSGZDTVHQ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994883 1190148223 /nfs/dbraw/zinc/14/82/23/1190148223.db2.gz IOPDOBSGZDTVHQ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)C1=O ZINC001087994883 1190148228 /nfs/dbraw/zinc/14/82/28/1190148228.db2.gz IOPDOBSGZDTVHQ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999236 1190169242 /nfs/dbraw/zinc/16/92/42/1190169242.db2.gz BZIMMUDDOPBOGM-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999236 1190169247 /nfs/dbraw/zinc/16/92/47/1190169247.db2.gz BZIMMUDDOPBOGM-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087999236 1190169251 /nfs/dbraw/zinc/16/92/51/1190169251.db2.gz BZIMMUDDOPBOGM-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010093 1190207413 /nfs/dbraw/zinc/20/74/13/1190207413.db2.gz IZSBCXPLPHFPJX-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011529 1190210875 /nfs/dbraw/zinc/21/08/75/1190210875.db2.gz RWQBTNNPTNENNI-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011529 1190210881 /nfs/dbraw/zinc/21/08/81/1190210881.db2.gz RWQBTNNPTNENNI-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011529 1190210887 /nfs/dbraw/zinc/21/08/87/1190210887.db2.gz RWQBTNNPTNENNI-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011529 1190210895 /nfs/dbraw/zinc/21/08/95/1190210895.db2.gz RWQBTNNPTNENNI-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088020165 1190239287 /nfs/dbraw/zinc/23/92/87/1190239287.db2.gz XCAGLKNCFCOBAG-CABCVRRESA-N 2 1 355.442 0.783 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@@H]3C2)C1=O ZINC001088028076 1190267877 /nfs/dbraw/zinc/26/78/77/1190267877.db2.gz TXTNBJBJKKYEIY-SOLBZPMBSA-N 2 1 367.453 0.959 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042650 1190301243 /nfs/dbraw/zinc/30/12/43/1190301243.db2.gz AZLSGZYHAJYUCY-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042650 1190301249 /nfs/dbraw/zinc/30/12/49/1190301249.db2.gz AZLSGZYHAJYUCY-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064678 1190343190 /nfs/dbraw/zinc/34/31/90/1190343190.db2.gz PKWXUUIRQOTNAB-SJORKVTESA-N 2 1 360.506 0.933 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001088082054 1190467714 /nfs/dbraw/zinc/46/77/14/1190467714.db2.gz SKINNNUDLILPMP-NXOAAHMSSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001088082054 1190467717 /nfs/dbraw/zinc/46/77/17/1190467717.db2.gz SKINNNUDLILPMP-NXOAAHMSSA-N 2 1 362.518 0.776 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083973 1190478110 /nfs/dbraw/zinc/47/81/10/1190478110.db2.gz RDTJAYGCFFYXTJ-ZBFHGGJFSA-N 2 1 362.474 0.823 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083978 1190478877 /nfs/dbraw/zinc/47/88/77/1190478877.db2.gz RHVBXXTZZCUXMP-KBMXLJTQSA-N 2 1 362.474 0.999 20 0 FCADMP COC[C@H](NC(=O)[C@@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2)C(=O)OC ZINC001276756095 1224107900 /nfs/dbraw/zinc/10/79/00/1224107900.db2.gz HWLXWIHEJXMDGN-HOTGVXAUSA-N 2 1 367.490 0.487 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](CCO)CCn3cccn3)C2)CC[N@H+]1C ZINC001691529307 1190811378 /nfs/dbraw/zinc/81/13/78/1190811378.db2.gz YXIIEBUTVDYEKO-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](CCO)CCn3cccn3)C2)CC[NH+]1C ZINC001691529307 1190811380 /nfs/dbraw/zinc/81/13/80/1190811380.db2.gz YXIIEBUTVDYEKO-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](CCO)CCn3cccn3)C2)CC[NH+]1C ZINC001691529307 1190811382 /nfs/dbraw/zinc/81/13/82/1190811382.db2.gz YXIIEBUTVDYEKO-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP C[N@H+]1CCCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000530952356 1190883988 /nfs/dbraw/zinc/88/39/88/1190883988.db2.gz WLVPGUAKFQZNGX-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132854 1190903057 /nfs/dbraw/zinc/90/30/57/1190903057.db2.gz IKJVAIRZQJTDFO-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@](C[NH2+]CCO)(c3ccccc3)C2)O1 ZINC001105429036 1191018038 /nfs/dbraw/zinc/01/80/38/1191018038.db2.gz KTNGSNNBVZDAKN-UIXUWTQFSA-N 2 1 361.486 0.504 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@](C[NH2+]CCO)(c3ccccc3)C2)O1 ZINC001105429036 1191018041 /nfs/dbraw/zinc/01/80/41/1191018041.db2.gz KTNGSNNBVZDAKN-UIXUWTQFSA-N 2 1 361.486 0.504 20 0 FCADMP CN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1=O ZINC001029970581 1191049973 /nfs/dbraw/zinc/04/99/73/1191049973.db2.gz HSLXPJZHGSKFMG-INMHGKMJSA-N 2 1 359.474 0.914 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059731981 1191062542 /nfs/dbraw/zinc/06/25/42/1191062542.db2.gz HLEVRBZYAIBHNI-BRWVUGGUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059731981 1191062547 /nfs/dbraw/zinc/06/25/47/1191062547.db2.gz HLEVRBZYAIBHNI-BRWVUGGUSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059857651 1191151766 /nfs/dbraw/zinc/15/17/66/1191151766.db2.gz FTJQZWCKXZKHHD-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059857651 1191151767 /nfs/dbraw/zinc/15/17/67/1191151767.db2.gz FTJQZWCKXZKHHD-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059857651 1191151768 /nfs/dbraw/zinc/15/17/68/1191151768.db2.gz FTJQZWCKXZKHHD-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059857651 1191151769 /nfs/dbraw/zinc/15/17/69/1191151769.db2.gz FTJQZWCKXZKHHD-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000897476190 1191215235 /nfs/dbraw/zinc/21/52/35/1191215235.db2.gz MJRMGBYDLFQHKP-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000897476190 1191215238 /nfs/dbraw/zinc/21/52/38/1191215238.db2.gz MJRMGBYDLFQHKP-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)N1CCOCC1 ZINC000550756400 1193760461 /nfs/dbraw/zinc/76/04/61/1193760461.db2.gz KTVHNRTTZHHAPB-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550780621 1193787177 /nfs/dbraw/zinc/78/71/77/1193787177.db2.gz IMSXQCPJLSLUFM-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+]1CCOCC1 ZINC000550907589 1193818171 /nfs/dbraw/zinc/81/81/71/1193818171.db2.gz RWCVXFLVMXGYND-HNNXBMFYSA-N 2 1 366.506 0.062 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550946063 1193821716 /nfs/dbraw/zinc/82/17/16/1193821716.db2.gz CHNBWQRHSJFRQQ-IAGOWNOFSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550946062 1193821893 /nfs/dbraw/zinc/82/18/93/1193821893.db2.gz CHNBWQRHSJFRQQ-DLBZAZTESA-N 2 1 367.538 0.118 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000551043330 1193830249 /nfs/dbraw/zinc/83/02/49/1193830249.db2.gz VFNPTOQTTQIDKZ-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000551043330 1193830251 /nfs/dbraw/zinc/83/02/51/1193830251.db2.gz VFNPTOQTTQIDKZ-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000551043330 1193830255 /nfs/dbraw/zinc/83/02/55/1193830255.db2.gz VFNPTOQTTQIDKZ-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000551111852 1193833188 /nfs/dbraw/zinc/83/31/88/1193833188.db2.gz PGWGJWYTNDCNGI-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000551111852 1193833191 /nfs/dbraw/zinc/83/31/91/1193833191.db2.gz PGWGJWYTNDCNGI-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000551112057 1193833383 /nfs/dbraw/zinc/83/33/83/1193833383.db2.gz QLCPTMFFBRUKHN-QGZVFWFLSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551139967 1193836601 /nfs/dbraw/zinc/83/66/01/1193836601.db2.gz OBKHIGKWMCJVJM-DLBZAZTESA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551163989 1193837664 /nfs/dbraw/zinc/83/76/64/1193837664.db2.gz IZUMUIQULGPSTG-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551163989 1193837668 /nfs/dbraw/zinc/83/76/68/1193837668.db2.gz IZUMUIQULGPSTG-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551163989 1193837669 /nfs/dbraw/zinc/83/76/69/1193837669.db2.gz IZUMUIQULGPSTG-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP Cc1cc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000551818277 1193872022 /nfs/dbraw/zinc/87/20/22/1193872022.db2.gz YYDDNSAVSTWWCD-HNNXBMFYSA-N 2 1 364.494 0.989 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667310 1193930427 /nfs/dbraw/zinc/93/04/27/1193930427.db2.gz QIWWYKBDJBOOEE-LTDCPUDJSA-N 2 1 368.522 0.040 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000552520130 1193937124 /nfs/dbraw/zinc/93/71/24/1193937124.db2.gz IQWNZHGPSISCRX-KRWDZBQOSA-N 2 1 360.502 0.830 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552544883 1193938020 /nfs/dbraw/zinc/93/80/20/1193938020.db2.gz DZJSYNFWOSEVKL-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000552539768 1193938417 /nfs/dbraw/zinc/93/84/17/1193938417.db2.gz AMOPRLYCUFUDDO-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000552539768 1193938420 /nfs/dbraw/zinc/93/84/20/1193938420.db2.gz AMOPRLYCUFUDDO-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000552882071 1193957340 /nfs/dbraw/zinc/95/73/40/1193957340.db2.gz CFJHMQAWXVBWGF-JKSUJKDBSA-N 2 1 370.538 0.554 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1=O ZINC000553168791 1193976787 /nfs/dbraw/zinc/97/67/87/1193976787.db2.gz VJPNPGKSOHDWGD-QGZVFWFLSA-N 2 1 358.486 0.739 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000553343143 1193990366 /nfs/dbraw/zinc/99/03/66/1193990366.db2.gz FQIZMVALHUFCAN-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650989 1224190813 /nfs/dbraw/zinc/19/08/13/1224190813.db2.gz RFJYOVJFCKBGLV-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076047782 1194272987 /nfs/dbraw/zinc/27/29/87/1194272987.db2.gz DKXXHJIZEZHLGN-IXDOHACOSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076047782 1194272993 /nfs/dbraw/zinc/27/29/93/1194272993.db2.gz DKXXHJIZEZHLGN-IXDOHACOSA-N 2 1 359.474 0.641 20 0 FCADMP COCCOCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794242 1224207960 /nfs/dbraw/zinc/20/79/60/1224207960.db2.gz FROOXISHMKLZKE-CVEARBPZSA-N 2 1 371.522 0.574 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161574 1194335909 /nfs/dbraw/zinc/33/59/09/1194335909.db2.gz OMXAJIAVHKSFQV-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161574 1194335913 /nfs/dbraw/zinc/33/59/13/1194335913.db2.gz OMXAJIAVHKSFQV-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161574 1194335914 /nfs/dbraw/zinc/33/59/14/1194335914.db2.gz OMXAJIAVHKSFQV-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161574 1194335917 /nfs/dbraw/zinc/33/59/17/1194335917.db2.gz OMXAJIAVHKSFQV-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001076161630 1194336220 /nfs/dbraw/zinc/33/62/20/1194336220.db2.gz RFHATMQXCKLXAO-OKZBNKHCSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001076161630 1194336223 /nfs/dbraw/zinc/33/62/23/1194336223.db2.gz RFHATMQXCKLXAO-OKZBNKHCSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001076161630 1194336228 /nfs/dbraw/zinc/33/62/28/1194336228.db2.gz RFHATMQXCKLXAO-OKZBNKHCSA-N 2 1 360.506 0.933 20 0 FCADMP COC(=O)[C@@H](C)CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794483 1224212158 /nfs/dbraw/zinc/21/21/58/1224212158.db2.gz KYKSBUFBLYSGBM-QMTMVMCOSA-N 2 1 369.506 0.469 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21)[NH+](C)C ZINC001076253393 1194375417 /nfs/dbraw/zinc/37/54/17/1194375417.db2.gz IZYRBNQLHDRUEL-BHYGNILZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407654 1194453759 /nfs/dbraw/zinc/45/37/59/1194453759.db2.gz PCCLHTLEHAYDCN-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(C)n1 ZINC001076467070 1194502015 /nfs/dbraw/zinc/50/20/15/1194502015.db2.gz BKALSUBIQAPPHS-DOTOQJQBSA-N 2 1 371.485 0.922 20 0 FCADMP COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(C)n1 ZINC001076467070 1194502022 /nfs/dbraw/zinc/50/20/22/1194502022.db2.gz BKALSUBIQAPPHS-DOTOQJQBSA-N 2 1 371.485 0.922 20 0 FCADMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001076573785 1194571795 /nfs/dbraw/zinc/57/17/95/1194571795.db2.gz ZMCBQCTXARVFRB-ZWKOTPCHSA-N 2 1 356.470 0.914 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001076574557 1194572250 /nfs/dbraw/zinc/57/22/50/1194572250.db2.gz JHXMDIBSRITOGD-GOEBONIOSA-N 2 1 370.457 0.151 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001076574557 1194572259 /nfs/dbraw/zinc/57/22/59/1194572259.db2.gz JHXMDIBSRITOGD-GOEBONIOSA-N 2 1 370.457 0.151 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568841 1194574875 /nfs/dbraw/zinc/57/48/75/1194574875.db2.gz AFLLJPQJBKECMU-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568841 1194574880 /nfs/dbraw/zinc/57/48/80/1194574880.db2.gz AFLLJPQJBKECMU-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568841 1194574885 /nfs/dbraw/zinc/57/48/85/1194574885.db2.gz AFLLJPQJBKECMU-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568841 1194574887 /nfs/dbraw/zinc/57/48/87/1194574887.db2.gz AFLLJPQJBKECMU-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844478 1224237123 /nfs/dbraw/zinc/23/71/23/1224237123.db2.gz DDKUBLPUUHMJTD-BPQIPLTHSA-N 2 1 369.506 0.170 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC001218877950 1224244104 /nfs/dbraw/zinc/24/41/04/1224244104.db2.gz WVCZUKZRCRLSFU-WFASDCNBSA-N 2 1 359.434 0.344 20 0 FCADMP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1cnn2c1C[NH2+]CC2 ZINC001218882114 1224248101 /nfs/dbraw/zinc/24/81/01/1224248101.db2.gz HPMVZXHVUYZOED-UHFFFAOYSA-N 2 1 354.414 0.284 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805308 1195024818 /nfs/dbraw/zinc/02/48/18/1195024818.db2.gz BIDZPWOSPFDLFZ-GUDVDZBRSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805308 1195024826 /nfs/dbraw/zinc/02/48/26/1195024826.db2.gz BIDZPWOSPFDLFZ-GUDVDZBRSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805308 1195024830 /nfs/dbraw/zinc/02/48/30/1195024830.db2.gz BIDZPWOSPFDLFZ-GUDVDZBRSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076805308 1195024834 /nfs/dbraw/zinc/02/48/34/1195024834.db2.gz BIDZPWOSPFDLFZ-GUDVDZBRSA-N 2 1 361.486 0.883 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007197 1195141949 /nfs/dbraw/zinc/14/19/49/1195141949.db2.gz CTONWBQLNSOTIA-IPMKNSEASA-N 2 1 359.470 0.182 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)c1 ZINC001077014279 1195148840 /nfs/dbraw/zinc/14/88/40/1195148840.db2.gz NHJYNCJUEAONEB-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001077219728 1195328482 /nfs/dbraw/zinc/32/84/82/1195328482.db2.gz VQHBGJRGJRUZOQ-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219049 1195328763 /nfs/dbraw/zinc/32/87/63/1195328763.db2.gz HNVFZOBTTBIQRU-QZTJIDSGSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219049 1195328770 /nfs/dbraw/zinc/32/87/70/1195328770.db2.gz HNVFZOBTTBIQRU-QZTJIDSGSA-N 2 1 358.486 0.927 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1 ZINC001218971381 1224276661 /nfs/dbraw/zinc/27/66/61/1224276661.db2.gz YDUOARJMSPIAPH-ZGUYJTEBSA-N 2 1 369.506 0.291 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000948 1224283555 /nfs/dbraw/zinc/28/35/55/1224283555.db2.gz HXSRLXYGOQMMDM-ZWKOTPCHSA-N 2 1 363.506 0.606 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396216 1195494600 /nfs/dbraw/zinc/49/46/00/1195494600.db2.gz URBZVRUGHLYDDX-RTBURBONSA-N 2 1 366.421 0.802 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396216 1195494603 /nfs/dbraw/zinc/49/46/03/1195494603.db2.gz URBZVRUGHLYDDX-RTBURBONSA-N 2 1 366.421 0.802 20 0 FCADMP CC1(C)CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418543 1195517747 /nfs/dbraw/zinc/51/77/47/1195517747.db2.gz UCDXMVXSNADDPY-LUJDSPJVSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418543 1195517753 /nfs/dbraw/zinc/51/77/53/1195517753.db2.gz UCDXMVXSNADDPY-LUJDSPJVSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418543 1195517760 /nfs/dbraw/zinc/51/77/60/1195517760.db2.gz UCDXMVXSNADDPY-LUJDSPJVSA-N 2 1 363.502 0.447 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@@H]21 ZINC001219006808 1224287376 /nfs/dbraw/zinc/28/73/76/1224287376.db2.gz YTRKIEVZKYBSOW-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@@H]21 ZINC001219006808 1224287385 /nfs/dbraw/zinc/28/73/85/1224287385.db2.gz YTRKIEVZKYBSOW-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@@H]21 ZINC001219006808 1224287389 /nfs/dbraw/zinc/28/73/89/1224287389.db2.gz YTRKIEVZKYBSOW-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]21 ZINC001219006808 1224287397 /nfs/dbraw/zinc/28/73/97/1224287397.db2.gz YTRKIEVZKYBSOW-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)CC2)oc1C ZINC000905102809 1195575523 /nfs/dbraw/zinc/57/55/23/1195575523.db2.gz HRVNZZLCHLTVRQ-MJGOQNOKSA-N 2 1 367.490 0.995 20 0 FCADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)CC2)oc1C ZINC000905102810 1195575546 /nfs/dbraw/zinc/57/55/46/1195575546.db2.gz HRVNZZLCHLTVRQ-PKOBYXMFSA-N 2 1 367.490 0.995 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])Cc1ccccc1 ZINC000911002667 1195877164 /nfs/dbraw/zinc/87/71/64/1195877164.db2.gz MFVLTFSQCNUYNW-RTBURBONSA-N 2 1 366.465 0.976 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[C@@H](C)C1 ZINC000911032614 1195881054 /nfs/dbraw/zinc/88/10/54/1195881054.db2.gz FSRFTUSZWHRVDV-BBWFWOEESA-N 2 1 368.522 0.437 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911099424 1195888514 /nfs/dbraw/zinc/88/85/14/1195888514.db2.gz DQZLAZXBPCLTAB-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000911111565 1195895519 /nfs/dbraw/zinc/89/55/19/1195895519.db2.gz MBAWUZRLAVYXPL-JKSUJKDBSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000911111565 1195895521 /nfs/dbraw/zinc/89/55/21/1195895521.db2.gz MBAWUZRLAVYXPL-JKSUJKDBSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911165215 1195902861 /nfs/dbraw/zinc/90/28/61/1195902861.db2.gz OVWSTRHODAQBDI-MXSMSXNCSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000911243351 1195921883 /nfs/dbraw/zinc/92/18/83/1195921883.db2.gz OKSGBNLQEPARBX-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001219052342 1224321022 /nfs/dbraw/zinc/32/10/22/1224321022.db2.gz UQSHMDUTCYCCBB-ZWKOTPCHSA-N 2 1 361.490 0.671 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001219052342 1224321029 /nfs/dbraw/zinc/32/10/29/1224321029.db2.gz UQSHMDUTCYCCBB-ZWKOTPCHSA-N 2 1 361.490 0.671 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)O1 ZINC000991363930 1196327443 /nfs/dbraw/zinc/32/74/43/1196327443.db2.gz ZXIUKJSIFAEEFR-NNFUDEMPSA-N 2 1 364.490 0.051 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@@H+](C)C[C@H]3CO)CC2)c1 ZINC000912742701 1196365492 /nfs/dbraw/zinc/36/54/92/1196365492.db2.gz GQCYIVGOROVOGR-IBGZPJMESA-N 2 1 360.502 0.642 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@H+](C)C[C@H]3CO)CC2)c1 ZINC000912742701 1196365496 /nfs/dbraw/zinc/36/54/96/1196365496.db2.gz GQCYIVGOROVOGR-IBGZPJMESA-N 2 1 360.502 0.642 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077444111 1196405525 /nfs/dbraw/zinc/40/55/25/1196405525.db2.gz KUQNFDIRYCIXFL-KFKAGJAMSA-N 2 1 361.486 0.602 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@H](C)C1 ZINC000592564651 1196569052 /nfs/dbraw/zinc/56/90/52/1196569052.db2.gz NQXYOBVENXSZIV-KGLIPLIRSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@H](C)C1 ZINC000592564651 1196569055 /nfs/dbraw/zinc/56/90/55/1196569055.db2.gz NQXYOBVENXSZIV-KGLIPLIRSA-N 2 1 363.462 0.429 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960875 1196601556 /nfs/dbraw/zinc/60/15/56/1196601556.db2.gz FZDXVDACZGHGHO-CVEARBPZSA-N 2 1 362.522 0.723 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)C[C@H]1C1CC1 ZINC000593124012 1196616675 /nfs/dbraw/zinc/61/66/75/1196616675.db2.gz QBLOPEUYBVQXEZ-JKSUJKDBSA-N 2 1 367.490 0.344 20 0 FCADMP COC(=O)[C@@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)C[C@H]1C1CC1 ZINC000593124012 1196616678 /nfs/dbraw/zinc/61/66/78/1196616678.db2.gz QBLOPEUYBVQXEZ-JKSUJKDBSA-N 2 1 367.490 0.344 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736325 1196735170 /nfs/dbraw/zinc/73/51/70/1196735170.db2.gz AIIQCGGZJUTVLB-IEBWSBKVSA-N 3 1 358.486 0.905 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736325 1196735179 /nfs/dbraw/zinc/73/51/79/1196735179.db2.gz AIIQCGGZJUTVLB-IEBWSBKVSA-N 3 1 358.486 0.905 20 0 FCADMP CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001105974056 1196760927 /nfs/dbraw/zinc/76/09/27/1196760927.db2.gz LXPPIKKOMGJPTM-NXHRZFHOSA-N 2 1 363.506 0.460 20 0 FCADMP CCn1cc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001105974056 1196760933 /nfs/dbraw/zinc/76/09/33/1196760933.db2.gz LXPPIKKOMGJPTM-NXHRZFHOSA-N 2 1 363.506 0.460 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105977810 1196763307 /nfs/dbraw/zinc/76/33/07/1196763307.db2.gz ADEZZCMTCFPXDM-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105977810 1196763314 /nfs/dbraw/zinc/76/33/14/1196763314.db2.gz ADEZZCMTCFPXDM-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088939915 1196842735 /nfs/dbraw/zinc/84/27/35/1196842735.db2.gz QRCIRYUSUVVKQV-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000992157799 1196981242 /nfs/dbraw/zinc/98/12/42/1196981242.db2.gz QVGVMYJERZUGDN-SJJHQCBESA-N 2 1 362.518 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000992240251 1197029906 /nfs/dbraw/zinc/02/99/06/1197029906.db2.gz KBUYHONMNOCFLV-SJJHQCBESA-N 2 1 362.518 0.824 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000913680591 1197106477 /nfs/dbraw/zinc/10/64/77/1197106477.db2.gz VYHQFIOBYYUYPL-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP C[C@H](CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949063 1197157746 /nfs/dbraw/zinc/15/77/46/1197157746.db2.gz MIZOOBUZGUNJKD-NSISKUIASA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@@]2(CNC(=O)C2)C1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949063 1197157755 /nfs/dbraw/zinc/15/77/55/1197157755.db2.gz MIZOOBUZGUNJKD-NSISKUIASA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@@]2(CNC(=O)C2)C1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000466949063 1197157762 /nfs/dbraw/zinc/15/77/62/1197157762.db2.gz MIZOOBUZGUNJKD-NSISKUIASA-N 2 1 362.518 0.969 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000914064679 1197216812 /nfs/dbraw/zinc/21/68/12/1197216812.db2.gz SOKLZRHXPNMMJU-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219261028 1224406656 /nfs/dbraw/zinc/40/66/56/1224406656.db2.gz ZLIOQLRKECZVPH-ZDUSSCGKSA-N 3 1 361.446 0.856 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085245917 1197738228 /nfs/dbraw/zinc/73/82/28/1197738228.db2.gz UFYWXEVQTBXRSF-KFWWJZLASA-N 2 1 365.478 0.040 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734283732 1197745071 /nfs/dbraw/zinc/74/50/71/1197745071.db2.gz SPCXJOZXUZPSLO-GOSISDBHSA-N 2 1 368.522 0.994 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106248710 1197782997 /nfs/dbraw/zinc/78/29/97/1197782997.db2.gz XBOJFLALZXIHKI-FGTMMUONSA-N 2 1 362.522 0.940 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106256073 1197794946 /nfs/dbraw/zinc/79/49/46/1197794946.db2.gz WPVWHSAVCOKXQX-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnn(C)n2)C1 ZINC001085306886 1197809169 /nfs/dbraw/zinc/80/91/69/1197809169.db2.gz VNSAIJZUZMXLHS-BZUAXINKSA-N 2 1 363.510 0.849 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993098800 1197821710 /nfs/dbraw/zinc/82/17/10/1197821710.db2.gz VGWBAFVVIYPQAP-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085332371 1197824835 /nfs/dbraw/zinc/82/48/35/1197824835.db2.gz VBMFOINHEPKXQC-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106340371 1197870244 /nfs/dbraw/zinc/87/02/44/1197870244.db2.gz UVQRYWLHDIMQSU-HUUCEWRRSA-N 2 1 365.526 0.998 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106354083 1197875445 /nfs/dbraw/zinc/87/54/45/1197875445.db2.gz KZFGFWBHIVIBSH-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000761978856 1197879160 /nfs/dbraw/zinc/87/91/60/1197879160.db2.gz AHJADEFQMBPMJT-RTBURBONSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000761978856 1197879162 /nfs/dbraw/zinc/87/91/62/1197879162.db2.gz AHJADEFQMBPMJT-RTBURBONSA-N 2 1 361.486 0.708 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001085422016 1197886622 /nfs/dbraw/zinc/88/66/22/1197886622.db2.gz FFNOUJWMBGYMFO-RBSFLKMASA-N 2 1 362.478 0.277 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001085422016 1197886628 /nfs/dbraw/zinc/88/66/28/1197886628.db2.gz FFNOUJWMBGYMFO-RBSFLKMASA-N 2 1 362.478 0.277 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435623 1197921771 /nfs/dbraw/zinc/92/17/71/1197921771.db2.gz PZDGYHPZUFSIAN-RBSFLKMASA-N 2 1 361.490 0.581 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106433491 1197923603 /nfs/dbraw/zinc/92/36/03/1197923603.db2.gz KMQVIXINCDSQTL-UKPHBRMFSA-N 2 1 361.490 0.790 20 0 FCADMP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C)C(N)=O ZINC001106434695 1197924244 /nfs/dbraw/zinc/92/42/44/1197924244.db2.gz CYOJMSBUWMATLK-RBSFLKMASA-N 2 1 361.490 0.710 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278873 1197946762 /nfs/dbraw/zinc/94/67/62/1197946762.db2.gz PTBOOJYFKBBVBV-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278873 1197946772 /nfs/dbraw/zinc/94/67/72/1197946772.db2.gz PTBOOJYFKBBVBV-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066278873 1197946785 /nfs/dbraw/zinc/94/67/85/1197946785.db2.gz PTBOOJYFKBBVBV-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066278873 1197946793 /nfs/dbraw/zinc/94/67/93/1197946793.db2.gz PTBOOJYFKBBVBV-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106577328 1198021087 /nfs/dbraw/zinc/02/10/87/1198021087.db2.gz HHQVAPSMSQUXRQ-INMHGKMJSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106577328 1198021098 /nfs/dbraw/zinc/02/10/98/1198021098.db2.gz HHQVAPSMSQUXRQ-INMHGKMJSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001086091938 1198157466 /nfs/dbraw/zinc/15/74/66/1198157466.db2.gz SWLMBTCUJGBAEJ-XUWVNRHRSA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001086370020 1198331202 /nfs/dbraw/zinc/33/12/02/1198331202.db2.gz MEYRNKPQFUYSAR-BQJWPVKWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001086371083 1198331890 /nfs/dbraw/zinc/33/18/90/1198331890.db2.gz OZTUDJRSKSOEQP-KLHDSHLOSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001086400268 1198354877 /nfs/dbraw/zinc/35/48/77/1198354877.db2.gz AMBQLQKFKJBKTR-MWQQHZPXSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001086400268 1198354882 /nfs/dbraw/zinc/35/48/82/1198354882.db2.gz AMBQLQKFKJBKTR-MWQQHZPXSA-N 2 1 362.474 0.089 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]1COC(C)(C)C[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503374 1224490526 /nfs/dbraw/zinc/49/05/26/1224490526.db2.gz HZFGITHQQLZIPD-IFXJQAMLSA-N 2 1 374.441 0.584 20 0 FCADMP O=C(NCCN1CCCCC1=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219569230 1224512656 /nfs/dbraw/zinc/51/26/56/1224512656.db2.gz HWZCVTAQOOUZPF-GOSISDBHSA-N 2 1 370.497 0.837 20 0 FCADMP O=C(NCCN1CCCCC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219569230 1224512662 /nfs/dbraw/zinc/51/26/62/1224512662.db2.gz HWZCVTAQOOUZPF-GOSISDBHSA-N 2 1 370.497 0.837 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000746384285 1199019055 /nfs/dbraw/zinc/01/90/55/1199019055.db2.gz YFQYZRKPTBFJEC-MRXNPFEDSA-N 2 1 363.506 0.624 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133966 1199047064 /nfs/dbraw/zinc/04/70/64/1199047064.db2.gz OPSVPQPWISAEIV-CNVOCDGBSA-N 2 1 357.458 0.531 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133966 1199047075 /nfs/dbraw/zinc/04/70/75/1199047075.db2.gz OPSVPQPWISAEIV-CNVOCDGBSA-N 2 1 357.458 0.531 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133966 1199047084 /nfs/dbraw/zinc/04/70/84/1199047084.db2.gz OPSVPQPWISAEIV-CNVOCDGBSA-N 2 1 357.458 0.531 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133966 1199047097 /nfs/dbraw/zinc/04/70/97/1199047097.db2.gz OPSVPQPWISAEIV-CNVOCDGBSA-N 2 1 357.458 0.531 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001169170481 1199054311 /nfs/dbraw/zinc/05/43/11/1199054311.db2.gz VZHNJGGRVPWGHZ-KGLIPLIRSA-N 2 1 362.478 0.416 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1nncc1C[NH3+] ZINC001169308894 1199060903 /nfs/dbraw/zinc/06/09/03/1199060903.db2.gz UXGOCHPRRQGRTF-GFCCVEGCSA-N 2 1 362.434 0.227 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129369988 1199128283 /nfs/dbraw/zinc/12/82/83/1199128283.db2.gz LXOCKQHYEWOOBU-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129369988 1199128288 /nfs/dbraw/zinc/12/82/88/1199128288.db2.gz LXOCKQHYEWOOBU-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129369988 1199128292 /nfs/dbraw/zinc/12/82/92/1199128292.db2.gz LXOCKQHYEWOOBU-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129369988 1199128298 /nfs/dbraw/zinc/12/82/98/1199128298.db2.gz LXOCKQHYEWOOBU-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001219665386 1224548846 /nfs/dbraw/zinc/54/88/46/1224548846.db2.gz IYBYGULSKXWGQK-UAGQMJEPSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001219665386 1224548857 /nfs/dbraw/zinc/54/88/57/1224548857.db2.gz IYBYGULSKXWGQK-UAGQMJEPSA-N 2 1 364.490 0.985 20 0 FCADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723125 1224576783 /nfs/dbraw/zinc/57/67/83/1224576783.db2.gz JDALPUYNAUTVMM-RBUKOAKNSA-N 4 1 373.545 0.671 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219726977 1224579467 /nfs/dbraw/zinc/57/94/67/1224579467.db2.gz TTZSLCUABTWABX-QRVBRYPASA-N 3 1 372.513 0.185 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385974 1200110296 /nfs/dbraw/zinc/11/02/96/1200110296.db2.gz URJZNYKXMYKGTH-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768217202 1200125691 /nfs/dbraw/zinc/12/56/91/1200125691.db2.gz LBISWYHFTRUNPA-CGTJXYLNSA-N 2 1 365.474 0.925 20 0 FCADMP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765228 1224600832 /nfs/dbraw/zinc/60/08/32/1224600832.db2.gz XLBGFTSDUWDOOS-AABGKKOBSA-N 2 1 371.529 0.260 20 0 FCADMP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765228 1224600836 /nfs/dbraw/zinc/60/08/36/1224600836.db2.gz XLBGFTSDUWDOOS-AABGKKOBSA-N 2 1 371.529 0.260 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449166 1200287294 /nfs/dbraw/zinc/28/72/94/1200287294.db2.gz IMRYREOZUIMXPT-VSZNYVQBSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449166 1200287301 /nfs/dbraw/zinc/28/73/01/1200287301.db2.gz IMRYREOZUIMXPT-VSZNYVQBSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449166 1200287306 /nfs/dbraw/zinc/28/73/06/1200287306.db2.gz IMRYREOZUIMXPT-VSZNYVQBSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449166 1200287310 /nfs/dbraw/zinc/28/73/10/1200287310.db2.gz IMRYREOZUIMXPT-VSZNYVQBSA-N 2 1 366.506 0.345 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469702 1200311271 /nfs/dbraw/zinc/31/12/71/1200311271.db2.gz GACLYUJASJHWJC-IKGGRYGDSA-N 2 1 359.474 0.718 20 0 FCADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469702 1200311276 /nfs/dbraw/zinc/31/12/76/1200311276.db2.gz GACLYUJASJHWJC-IKGGRYGDSA-N 2 1 359.474 0.718 20 0 FCADMP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772160 1224606697 /nfs/dbraw/zinc/60/66/97/1224606697.db2.gz XPYGDZAHPZHNHU-XLIONFOSSA-N 3 1 360.477 0.916 20 0 FCADMP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772160 1224606701 /nfs/dbraw/zinc/60/67/01/1224606701.db2.gz XPYGDZAHPZHNHU-XLIONFOSSA-N 3 1 360.477 0.916 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)c1 ZINC001219796121 1224615460 /nfs/dbraw/zinc/61/54/60/1224615460.db2.gz NDXACFAUAXKGBY-IBGZPJMESA-N 2 1 360.502 0.898 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)cn1 ZINC001109902686 1200601663 /nfs/dbraw/zinc/60/16/63/1200601663.db2.gz WNWRMCFQPLVDND-NJAFHUGGSA-N 2 1 361.490 0.752 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)cn1 ZINC001109902686 1200601673 /nfs/dbraw/zinc/60/16/73/1200601673.db2.gz WNWRMCFQPLVDND-NJAFHUGGSA-N 2 1 361.490 0.752 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109932306 1200617751 /nfs/dbraw/zinc/61/77/51/1200617751.db2.gz FTUDOMDGGBAZMO-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109932306 1200617753 /nfs/dbraw/zinc/61/77/53/1200617753.db2.gz FTUDOMDGGBAZMO-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109932306 1200617756 /nfs/dbraw/zinc/61/77/56/1200617756.db2.gz FTUDOMDGGBAZMO-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109932306 1200617758 /nfs/dbraw/zinc/61/77/58/1200617758.db2.gz FTUDOMDGGBAZMO-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219805381 1224623818 /nfs/dbraw/zinc/62/38/18/1224623818.db2.gz FKYFGBOXPRMWST-CEXWTWQISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219805381 1224623822 /nfs/dbraw/zinc/62/38/22/1224623822.db2.gz FKYFGBOXPRMWST-CEXWTWQISA-N 2 1 361.486 0.875 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975702 1200657167 /nfs/dbraw/zinc/65/71/67/1200657167.db2.gz AFILXXHDFQEHEG-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975702 1200657174 /nfs/dbraw/zinc/65/71/74/1200657174.db2.gz AFILXXHDFQEHEG-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975702 1200657181 /nfs/dbraw/zinc/65/71/81/1200657181.db2.gz AFILXXHDFQEHEG-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975702 1200657185 /nfs/dbraw/zinc/65/71/85/1200657185.db2.gz AFILXXHDFQEHEG-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980138 1200664585 /nfs/dbraw/zinc/66/45/85/1200664585.db2.gz JTVGBYXMHVMEIM-OWSLCNJRSA-N 2 1 371.522 0.320 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219806168 1224625730 /nfs/dbraw/zinc/62/57/30/1224625730.db2.gz MLOAPRBRCKDRQS-PWSUYJOCSA-N 2 1 373.379 0.283 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110002557 1200695450 /nfs/dbraw/zinc/69/54/50/1200695450.db2.gz LOJYNOBZQJMLLL-OWSLCNJRSA-N 2 1 363.506 0.697 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219806169 1224625972 /nfs/dbraw/zinc/62/59/72/1224625972.db2.gz MLOAPRBRCKDRQS-ZYHUDNBSSA-N 2 1 373.379 0.283 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805712 1224626229 /nfs/dbraw/zinc/62/62/29/1224626229.db2.gz QCUKHNRPQFAWBW-QYZOEREBSA-N 2 1 361.486 0.739 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000785521363 1200766965 /nfs/dbraw/zinc/76/69/65/1200766965.db2.gz VILPRKGWVLTOOE-IAGOWNOFSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112557704 1200784221 /nfs/dbraw/zinc/78/42/21/1200784221.db2.gz TWXXWVHAJOBKND-MPGHIAIKSA-N 2 1 363.510 0.831 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815887 1224631628 /nfs/dbraw/zinc/63/16/28/1224631628.db2.gz PLKGSFCVHAFEKP-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815887 1224631635 /nfs/dbraw/zinc/63/16/35/1224631635.db2.gz PLKGSFCVHAFEKP-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815887 1224631643 /nfs/dbraw/zinc/63/16/43/1224631643.db2.gz PLKGSFCVHAFEKP-SJORKVTESA-N 2 1 364.494 0.094 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391187 1201073355 /nfs/dbraw/zinc/07/33/55/1201073355.db2.gz ZQKSONCXJIGOJK-HNAYVOBHSA-N 2 1 366.506 0.638 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793291724 1201232351 /nfs/dbraw/zinc/23/23/51/1201232351.db2.gz UTXRHEMCZVRBAF-LSDHHAIUSA-N 2 1 358.446 0.816 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793291724 1201232355 /nfs/dbraw/zinc/23/23/55/1201232355.db2.gz UTXRHEMCZVRBAF-LSDHHAIUSA-N 2 1 358.446 0.816 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000793695447 1201257612 /nfs/dbraw/zinc/25/76/12/1201257612.db2.gz DDCXAQQDXOHTSK-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703316 1201259772 /nfs/dbraw/zinc/25/97/72/1201259772.db2.gz UMTGXFCPONKLFV-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000793846175 1201268457 /nfs/dbraw/zinc/26/84/57/1201268457.db2.gz STDXPKWBKYXFSQ-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000793846175 1201268466 /nfs/dbraw/zinc/26/84/66/1201268466.db2.gz STDXPKWBKYXFSQ-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001114304494 1201294119 /nfs/dbraw/zinc/29/41/19/1201294119.db2.gz RTMANSBPXIKTDR-DOEOUOAPSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)CC[N@H+]1C ZINC001114304494 1201294125 /nfs/dbraw/zinc/29/41/25/1201294125.db2.gz RTMANSBPXIKTDR-DOEOUOAPSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)CC[NH+]1C ZINC001114304494 1201294130 /nfs/dbraw/zinc/29/41/30/1201294130.db2.gz RTMANSBPXIKTDR-DOEOUOAPSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)CC[NH+]1C ZINC001114304494 1201294134 /nfs/dbraw/zinc/29/41/34/1201294134.db2.gz RTMANSBPXIKTDR-DOEOUOAPSA-N 2 1 362.518 0.679 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129400280 1201305824 /nfs/dbraw/zinc/30/58/24/1201305824.db2.gz CJYCZQKJDBNNTM-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129400280 1201305828 /nfs/dbraw/zinc/30/58/28/1201305828.db2.gz CJYCZQKJDBNNTM-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129400280 1201305833 /nfs/dbraw/zinc/30/58/33/1201305833.db2.gz CJYCZQKJDBNNTM-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461636 1201328355 /nfs/dbraw/zinc/32/83/55/1201328355.db2.gz YDZVKSWTDAJGME-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461636 1201328359 /nfs/dbraw/zinc/32/83/59/1201328359.db2.gz YDZVKSWTDAJGME-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461636 1201328362 /nfs/dbraw/zinc/32/83/62/1201328362.db2.gz YDZVKSWTDAJGME-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624158 1201358954 /nfs/dbraw/zinc/35/89/54/1201358954.db2.gz QENYXPOWKKVYAC-RCCFBDPRSA-N 2 1 367.453 0.664 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880146 1224670198 /nfs/dbraw/zinc/67/01/98/1224670198.db2.gz YCUSTWPHDOOANR-IKGGRYGDSA-N 2 1 364.494 0.094 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880146 1224670202 /nfs/dbraw/zinc/67/02/02/1224670202.db2.gz YCUSTWPHDOOANR-IKGGRYGDSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880146 1224670204 /nfs/dbraw/zinc/67/02/04/1224670204.db2.gz YCUSTWPHDOOANR-IKGGRYGDSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880146 1224670208 /nfs/dbraw/zinc/67/02/08/1224670208.db2.gz YCUSTWPHDOOANR-IKGGRYGDSA-N 2 1 364.494 0.094 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838127 1201410718 /nfs/dbraw/zinc/41/07/18/1201410718.db2.gz ROEDZBIAVFUFHR-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895918 1201430348 /nfs/dbraw/zinc/43/03/48/1201430348.db2.gz MCNAMYFCQMGDIA-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001129991924 1201470393 /nfs/dbraw/zinc/47/03/93/1201470393.db2.gz CQZARPSPYWQGIE-CVEARBPZSA-N 2 1 361.425 0.306 20 0 FCADMP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040780 1201478368 /nfs/dbraw/zinc/47/83/68/1201478368.db2.gz LIZJLKADFUMSKY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130079532 1201496005 /nfs/dbraw/zinc/49/60/05/1201496005.db2.gz ODIJPDUOVFTHCB-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130123306 1201511521 /nfs/dbraw/zinc/51/15/21/1201511521.db2.gz MXHQAUVFSKXGIA-CVEARBPZSA-N 2 1 361.450 0.250 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132816 1201513106 /nfs/dbraw/zinc/51/31/06/1201513106.db2.gz QSWNBRXLNSVSSQ-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132816 1201513111 /nfs/dbraw/zinc/51/31/11/1201513111.db2.gz QSWNBRXLNSVSSQ-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130137234 1201514146 /nfs/dbraw/zinc/51/41/46/1201514146.db2.gz OVQWYQKRZLFXTP-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130137076 1201514334 /nfs/dbraw/zinc/51/43/34/1201514334.db2.gz IAHLWASHTDTWKS-SJORKVTESA-N 2 1 357.462 0.555 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130137076 1201514339 /nfs/dbraw/zinc/51/43/39/1201514339.db2.gz IAHLWASHTDTWKS-SJORKVTESA-N 2 1 357.462 0.555 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130137235 1201514358 /nfs/dbraw/zinc/51/43/58/1201514358.db2.gz OVQWYQKRZLFXTP-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137307 1201514975 /nfs/dbraw/zinc/51/49/75/1201514975.db2.gz SAUHARBEHFYSOT-CVEARBPZSA-N 2 1 361.450 0.456 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137307 1201514978 /nfs/dbraw/zinc/51/49/78/1201514978.db2.gz SAUHARBEHFYSOT-CVEARBPZSA-N 2 1 361.450 0.456 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C2CC2)C2CCCC2)O1 ZINC001130184763 1201537513 /nfs/dbraw/zinc/53/75/13/1201537513.db2.gz ZWGMSJLJZKAKMY-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C2CC2)C2CCCC2)O1 ZINC001130184763 1201537515 /nfs/dbraw/zinc/53/75/15/1201537515.db2.gz ZWGMSJLJZKAKMY-RHSMWYFYSA-N 2 1 366.506 0.345 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919929 1224681287 /nfs/dbraw/zinc/68/12/87/1224681287.db2.gz UETFFMNHQPPUAB-KSZLIROESA-N 2 1 362.474 0.638 20 0 FCADMP CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1)[NH+](C)C ZINC001130221106 1201551100 /nfs/dbraw/zinc/55/11/00/1201551100.db2.gz VDCOIUNPHROZFX-ZNMIVQPWSA-N 2 1 366.510 0.879 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)C[NH+](CC)CC)n1 ZINC001130220920 1201551296 /nfs/dbraw/zinc/55/12/96/1201551296.db2.gz QSBCEOZRNKISKW-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)C[NH+](CC)CC)n[nH]1 ZINC001130220920 1201551300 /nfs/dbraw/zinc/55/13/00/1201551300.db2.gz QSBCEOZRNKISKW-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919810 1224681692 /nfs/dbraw/zinc/68/16/92/1224681692.db2.gz PAJFCDNDHRLHDM-JQHSSLGASA-N 2 1 362.474 0.496 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130233070 1201558538 /nfs/dbraw/zinc/55/85/38/1201558538.db2.gz XKOYCYOZVKBDAL-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130233070 1201558541 /nfs/dbraw/zinc/55/85/41/1201558541.db2.gz XKOYCYOZVKBDAL-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1)[NH+](C)C ZINC001130238182 1201561112 /nfs/dbraw/zinc/56/11/12/1201561112.db2.gz XPIYMQRCIMXZLY-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001130246339 1201565923 /nfs/dbraw/zinc/56/59/23/1201565923.db2.gz GOGAUWBNUWYIFU-KBPBESRZSA-N 2 1 362.478 0.389 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001130246339 1201565925 /nfs/dbraw/zinc/56/59/25/1201565925.db2.gz GOGAUWBNUWYIFU-KBPBESRZSA-N 2 1 362.478 0.389 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130246675 1201566417 /nfs/dbraw/zinc/56/64/17/1201566417.db2.gz MMOBJEFYFRSCEM-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130246675 1201566419 /nfs/dbraw/zinc/56/64/19/1201566419.db2.gz MMOBJEFYFRSCEM-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130246675 1201566421 /nfs/dbraw/zinc/56/64/21/1201566421.db2.gz MMOBJEFYFRSCEM-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130246675 1201566424 /nfs/dbraw/zinc/56/64/24/1201566424.db2.gz MMOBJEFYFRSCEM-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130246675 1201566427 /nfs/dbraw/zinc/56/64/27/1201566427.db2.gz MMOBJEFYFRSCEM-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941269 1224691956 /nfs/dbraw/zinc/69/19/56/1224691956.db2.gz SQUFKVXLGWDUPI-INIZCTEOSA-N 2 1 368.522 0.627 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1)C1CC1 ZINC001219949390 1224695253 /nfs/dbraw/zinc/69/52/53/1224695253.db2.gz AOENFYZBAJYDLY-FGTMMUONSA-N 2 1 358.442 0.924 20 0 FCADMP CC(C)[C@](C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022180 1224729406 /nfs/dbraw/zinc/72/94/06/1224729406.db2.gz BABXZRAQFAXNRM-APWZRJJASA-N 2 1 358.486 0.724 20 0 FCADMP CC(C)[C@](C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022180 1224729412 /nfs/dbraw/zinc/72/94/12/1224729412.db2.gz BABXZRAQFAXNRM-APWZRJJASA-N 2 1 358.486 0.724 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209787 1202714144 /nfs/dbraw/zinc/71/41/44/1202714144.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C(C)C ZINC000806209787 1202714146 /nfs/dbraw/zinc/71/41/46/1202714146.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C(C)C ZINC000806209787 1202714150 /nfs/dbraw/zinc/71/41/50/1202714150.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209787 1202714151 /nfs/dbraw/zinc/71/41/51/1202714151.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209787 1202714154 /nfs/dbraw/zinc/71/41/54/1202714154.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670271 1202751874 /nfs/dbraw/zinc/75/18/74/1202751874.db2.gz UJFRUUBAKGLGNS-WMLDXEAASA-N 2 1 360.462 0.752 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672559 1202752209 /nfs/dbraw/zinc/75/22/09/1202752209.db2.gz SWPOVZNNSDXZJY-DOTOQJQBSA-N 2 1 363.506 0.682 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130804501 1202800583 /nfs/dbraw/zinc/80/05/83/1202800583.db2.gz HEYCDFYMAIMGHU-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CCC3)O2)n1 ZINC001130802347 1202803389 /nfs/dbraw/zinc/80/33/89/1202803389.db2.gz PJMJOBBTUJFKFJ-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130813570 1202806047 /nfs/dbraw/zinc/80/60/47/1202806047.db2.gz RHFVSROZPKOQDL-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130813570 1202806048 /nfs/dbraw/zinc/80/60/48/1202806048.db2.gz RHFVSROZPKOQDL-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130813570 1202806050 /nfs/dbraw/zinc/80/60/50/1202806050.db2.gz RHFVSROZPKOQDL-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130816384 1202807115 /nfs/dbraw/zinc/80/71/15/1202807115.db2.gz UJFXZBNSSAUFCU-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CN(C(=O)C(=O)NCCOC1CCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807159338 1202812113 /nfs/dbraw/zinc/81/21/13/1202812113.db2.gz BEULIJCYRKFVAM-INIZCTEOSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C(=O)C(=O)NCCOC1CCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000807159338 1202812115 /nfs/dbraw/zinc/81/21/15/1202812115.db2.gz BEULIJCYRKFVAM-INIZCTEOSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C(=O)C(=O)NCCOC1CCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807159339 1202812312 /nfs/dbraw/zinc/81/23/12/1202812312.db2.gz BEULIJCYRKFVAM-MRXNPFEDSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C(=O)C(=O)NCCOC1CCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000807159339 1202812314 /nfs/dbraw/zinc/81/23/14/1202812314.db2.gz BEULIJCYRKFVAM-MRXNPFEDSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012081 1202844364 /nfs/dbraw/zinc/84/43/64/1202844364.db2.gz AFIWBZYHNSFHGZ-GVDBMIGSSA-N 2 1 363.506 0.825 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)O1 ZINC001131014591 1202845367 /nfs/dbraw/zinc/84/53/67/1202845367.db2.gz BHDBQZVWRRYIHK-KCYZZUKISA-N 2 1 367.469 0.383 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)O1 ZINC001131014591 1202845370 /nfs/dbraw/zinc/84/53/70/1202845370.db2.gz BHDBQZVWRRYIHK-KCYZZUKISA-N 2 1 367.469 0.383 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068285 1202855938 /nfs/dbraw/zinc/85/59/38/1202855938.db2.gz XFKIDDIXQQZKTM-GDBMZVCRSA-N 2 1 360.462 0.752 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131316147 1202885542 /nfs/dbraw/zinc/88/55/42/1202885542.db2.gz CRUHKJDFKNVRJM-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316682 1202885797 /nfs/dbraw/zinc/88/57/97/1202885797.db2.gz RIQDDJSAJLEDCX-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316682 1202885799 /nfs/dbraw/zinc/88/57/99/1202885799.db2.gz RIQDDJSAJLEDCX-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131316682 1202885801 /nfs/dbraw/zinc/88/58/01/1202885801.db2.gz RIQDDJSAJLEDCX-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131316682 1202885805 /nfs/dbraw/zinc/88/58/05/1202885805.db2.gz RIQDDJSAJLEDCX-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316508 1202885890 /nfs/dbraw/zinc/88/58/90/1202885890.db2.gz LRWZALUGCVHOTG-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316508 1202885891 /nfs/dbraw/zinc/88/58/91/1202885891.db2.gz LRWZALUGCVHOTG-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131316508 1202885893 /nfs/dbraw/zinc/88/58/93/1202885893.db2.gz LRWZALUGCVHOTG-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131316508 1202885895 /nfs/dbraw/zinc/88/58/95/1202885895.db2.gz LRWZALUGCVHOTG-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131318896 1202886473 /nfs/dbraw/zinc/88/64/73/1202886473.db2.gz WSQWAZINDUOUCR-XHSDSOJGSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131318896 1202886475 /nfs/dbraw/zinc/88/64/75/1202886475.db2.gz WSQWAZINDUOUCR-XHSDSOJGSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131318896 1202886476 /nfs/dbraw/zinc/88/64/76/1202886476.db2.gz WSQWAZINDUOUCR-XHSDSOJGSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131318896 1202886480 /nfs/dbraw/zinc/88/64/80/1202886480.db2.gz WSQWAZINDUOUCR-XHSDSOJGSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131318895 1202886602 /nfs/dbraw/zinc/88/66/02/1202886602.db2.gz WSQWAZINDUOUCR-OAGGEKHMSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131318895 1202886603 /nfs/dbraw/zinc/88/66/03/1202886603.db2.gz WSQWAZINDUOUCR-OAGGEKHMSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131318895 1202886607 /nfs/dbraw/zinc/88/66/07/1202886607.db2.gz WSQWAZINDUOUCR-OAGGEKHMSA-N 2 1 370.469 0.792 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131318895 1202886609 /nfs/dbraw/zinc/88/66/09/1202886609.db2.gz WSQWAZINDUOUCR-OAGGEKHMSA-N 2 1 370.469 0.792 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001131313555 1202888074 /nfs/dbraw/zinc/88/80/74/1202888074.db2.gz WFGDERJDEMDCLR-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962805 1202938287 /nfs/dbraw/zinc/93/82/87/1202938287.db2.gz KQXPZZDQTRPOPB-APWZRJJASA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962805 1202938291 /nfs/dbraw/zinc/93/82/91/1202938291.db2.gz KQXPZZDQTRPOPB-APWZRJJASA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126431 1203015800 /nfs/dbraw/zinc/01/58/00/1203015800.db2.gz QEDGCHLKCGRVHM-QGTPRVQTSA-N 2 1 358.486 0.705 20 0 FCADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126584 1203015877 /nfs/dbraw/zinc/01/58/77/1203015877.db2.gz YLGZIWAPOQKAIA-SQNIBIBYSA-N 2 1 358.486 0.658 20 0 FCADMP CCn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731811 1203056207 /nfs/dbraw/zinc/05/62/07/1203056207.db2.gz DOMAYRYIUMJOHG-YYIAUSFCSA-N 2 1 363.506 0.997 20 0 FCADMP CCn1ccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731811 1203056208 /nfs/dbraw/zinc/05/62/08/1203056208.db2.gz DOMAYRYIUMJOHG-YYIAUSFCSA-N 2 1 363.506 0.997 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001086785343 1203089954 /nfs/dbraw/zinc/08/99/54/1203089954.db2.gz VAKZPOSLWRKSDM-UXLLHSPISA-N 2 1 364.494 0.299 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cn(C)nn3)C1)C2 ZINC001086802862 1203101308 /nfs/dbraw/zinc/10/13/08/1203101308.db2.gz DUCIRKLHIWNSST-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnnn3C)C1)C2 ZINC001086803070 1203101422 /nfs/dbraw/zinc/10/14/22/1203101422.db2.gz ODRYDKBRWXLJMN-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986724 1203130162 /nfs/dbraw/zinc/13/01/62/1203130162.db2.gz NPVLTCVRWFWPHR-OXFYSEKESA-N 2 1 360.502 0.816 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C3CCC([NH3+])CC3)CC2)c1 ZINC000817988911 1203130580 /nfs/dbraw/zinc/13/05/80/1203130580.db2.gz ADLCAGICQMCFPU-UHFFFAOYSA-N 2 1 359.474 0.767 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000817993513 1203132131 /nfs/dbraw/zinc/13/21/31/1203132131.db2.gz KYTRCHIIGHPVMG-KURKYZTESA-N 2 1 356.470 0.540 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001086838956 1203192746 /nfs/dbraw/zinc/19/27/46/1203192746.db2.gz DDSSUBUOPGEDII-YSVLISHTSA-N 2 1 368.441 0.644 20 0 FCADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000844004107 1203329387 /nfs/dbraw/zinc/32/93/87/1203329387.db2.gz XVBVHHSYNPINRM-KRZKXXONSA-N 2 1 359.470 0.918 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844190902 1203338738 /nfs/dbraw/zinc/33/87/38/1203338738.db2.gz FJJSZXQJSNZVKZ-IBGZPJMESA-N 2 1 360.502 0.819 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844186998 1203338837 /nfs/dbraw/zinc/33/88/37/1203338837.db2.gz DUYVTOBHFONKTG-IRXDYDNUSA-N 2 1 361.490 0.477 20 0 FCADMP COc1ccc2c(C[C@H]([NH3+])C(=O)NC3C[NH+](C(C)C)C3)cc(=O)oc2c1 ZINC001220159736 1224791414 /nfs/dbraw/zinc/79/14/14/1224791414.db2.gz RUUFRJMPKDLOND-INIZCTEOSA-N 2 1 359.426 0.880 20 0 FCADMP COC(=O)[C@]1(NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228704 1224810148 /nfs/dbraw/zinc/81/01/48/1224810148.db2.gz VGJSWESIWYCUFO-APWZRJJASA-N 2 1 361.442 0.299 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)c1 ZINC001220229259 1224810352 /nfs/dbraw/zinc/81/03/52/1224810352.db2.gz VAOSSUYKCKIHAQ-MSOLQXFVSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)c1 ZINC001220229259 1224810353 /nfs/dbraw/zinc/81/03/53/1224810353.db2.gz VAOSSUYKCKIHAQ-MSOLQXFVSA-N 2 1 361.486 0.836 20 0 FCADMP COC(=O)[C@]1(NC(=O)C2CC3(C[NH2+]C3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228399 1224810394 /nfs/dbraw/zinc/81/03/94/1224810394.db2.gz LSVJGAKKPZVBRZ-FQEVSTJZSA-N 2 1 357.454 0.920 20 0 FCADMP COC(=O)[C@]1(NC(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228705 1224810418 /nfs/dbraw/zinc/81/04/18/1224810418.db2.gz VGJSWESIWYCUFO-LPHOPBHVSA-N 2 1 361.442 0.299 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228342 1224810426 /nfs/dbraw/zinc/81/04/26/1224810426.db2.gz JLZFECOOBCPJIV-PXNSSMCTSA-N 3 1 374.485 0.247 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC001220228342 1224810427 /nfs/dbraw/zinc/81/04/27/1224810427.db2.gz JLZFECOOBCPJIV-PXNSSMCTSA-N 2 1 374.485 0.247 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220233631 1224811817 /nfs/dbraw/zinc/81/18/17/1224811817.db2.gz DHGMGJMQVPBRPO-BBWFWOEESA-N 2 1 370.538 0.523 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220233631 1224811820 /nfs/dbraw/zinc/81/18/20/1224811820.db2.gz DHGMGJMQVPBRPO-BBWFWOEESA-N 2 1 370.538 0.523 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844223113 1204379584 /nfs/dbraw/zinc/37/95/84/1204379584.db2.gz RAPHQNFWVDMXSR-INIZCTEOSA-N 2 1 358.490 0.589 20 0 FCADMP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000845845403 1204553837 /nfs/dbraw/zinc/55/38/37/1204553837.db2.gz OERLLSRWHRGFRF-RRFJBIMHSA-N 2 1 372.510 0.667 20 0 FCADMP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000845845403 1204553846 /nfs/dbraw/zinc/55/38/46/1204553846.db2.gz OERLLSRWHRGFRF-RRFJBIMHSA-N 2 1 372.510 0.667 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358665 1224842154 /nfs/dbraw/zinc/84/21/54/1224842154.db2.gz WBRSVJMGMSSQKY-NCOADZHNSA-N 2 1 360.458 0.251 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357452 1224842165 /nfs/dbraw/zinc/84/21/65/1224842165.db2.gz JKOBSPGVRGRXRX-IPELMVKDSA-N 2 1 363.502 0.727 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359713 1224843794 /nfs/dbraw/zinc/84/37/94/1224843794.db2.gz VSNLHBZNUFQJTN-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359713 1224843799 /nfs/dbraw/zinc/84/37/99/1224843799.db2.gz VSNLHBZNUFQJTN-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359713 1224843801 /nfs/dbraw/zinc/84/38/01/1224843801.db2.gz VSNLHBZNUFQJTN-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673819 /nfs/dbraw/zinc/67/38/19/1204673819.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 1 370.538 0.926 20 0 FCADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673824 /nfs/dbraw/zinc/67/38/24/1204673824.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 1 370.538 0.926 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387161 1224852270 /nfs/dbraw/zinc/85/22/70/1224852270.db2.gz DFNQPHDUMWCUSQ-UHOSZYNNSA-N 2 1 361.486 0.849 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666835 1204812972 /nfs/dbraw/zinc/81/29/72/1204812972.db2.gz HTCWOIZXQFDFEG-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666835 1204812973 /nfs/dbraw/zinc/81/29/73/1204812973.db2.gz HTCWOIZXQFDFEG-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666835 1204812974 /nfs/dbraw/zinc/81/29/74/1204812974.db2.gz HTCWOIZXQFDFEG-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091666835 1204812975 /nfs/dbraw/zinc/81/29/75/1204812975.db2.gz HTCWOIZXQFDFEG-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091754209 1204844156 /nfs/dbraw/zinc/84/41/56/1204844156.db2.gz IYQYDTAIWKUHET-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091754209 1204844157 /nfs/dbraw/zinc/84/41/57/1204844157.db2.gz IYQYDTAIWKUHET-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148895385 1204844324 /nfs/dbraw/zinc/84/43/24/1204844324.db2.gz PZDQANHQNLMZIL-UHFFFAOYSA-N 2 1 357.414 0.793 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086854300 1204852792 /nfs/dbraw/zinc/85/27/92/1204852792.db2.gz RCDAQTUWJNGPIX-UONOGXRCSA-N 2 1 363.462 0.686 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086879903 1204855856 /nfs/dbraw/zinc/85/58/56/1204855856.db2.gz DNQSXQQQLMFPHY-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001086879903 1204855857 /nfs/dbraw/zinc/85/58/57/1204855857.db2.gz DNQSXQQQLMFPHY-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086880660 1204856034 /nfs/dbraw/zinc/85/60/34/1204856034.db2.gz JJADSXXPIMDUIO-ARFHVFGLSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880660 1204856035 /nfs/dbraw/zinc/85/60/35/1204856035.db2.gz JJADSXXPIMDUIO-ARFHVFGLSA-N 2 1 364.494 0.393 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086970596 1204870134 /nfs/dbraw/zinc/87/01/34/1204870134.db2.gz YSCJQGQRXPCFQZ-KSZLIROESA-N 2 1 371.489 0.295 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001086970999 1204870370 /nfs/dbraw/zinc/87/03/70/1204870370.db2.gz RZLKVQWKSRFCFM-KSZLIROESA-N 2 1 371.489 0.332 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1)[NH+](C)C ZINC001086997320 1204887746 /nfs/dbraw/zinc/88/77/46/1204887746.db2.gz YPTQTYAXMQMILW-BBWFWOEESA-N 2 1 360.462 0.833 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)n1 ZINC001087009445 1204896936 /nfs/dbraw/zinc/89/69/36/1204896936.db2.gz GSEZAGOOPNXXMX-JCGIZDLHSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)n1 ZINC001087009445 1204896937 /nfs/dbraw/zinc/89/69/37/1204896937.db2.gz GSEZAGOOPNXXMX-JCGIZDLHSA-N 2 1 371.489 0.190 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087034920 1204909556 /nfs/dbraw/zinc/90/95/56/1204909556.db2.gz DBCRPSHRSJQVIF-KBAYOESNSA-N 2 1 363.506 0.950 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087034971 1204909705 /nfs/dbraw/zinc/90/97/05/1204909705.db2.gz GGCXUPJMEZXDRI-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087035403 1204911310 /nfs/dbraw/zinc/91/13/10/1204911310.db2.gz ZQDLZCJGYXMZBQ-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087035108 1204911555 /nfs/dbraw/zinc/91/15/55/1204911555.db2.gz MCBNWSIFHIBCDK-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083380 1204970287 /nfs/dbraw/zinc/97/02/87/1204970287.db2.gz BOCSEDAKLGYRNZ-FVQBIDKESA-N 2 1 364.494 0.551 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083350 1204971454 /nfs/dbraw/zinc/97/14/54/1204971454.db2.gz AOIZNNBOIUDDDD-BFYDXBDKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087091640 1204980740 /nfs/dbraw/zinc/98/07/40/1204980740.db2.gz VUJXVURUXNVTGT-NVXWUHKLSA-N 2 1 366.462 0.350 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087101127 1204998281 /nfs/dbraw/zinc/99/82/81/1204998281.db2.gz UXXOKVCBQNZXIA-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087101127 1204998287 /nfs/dbraw/zinc/99/82/87/1204998287.db2.gz UXXOKVCBQNZXIA-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087100986 1204998343 /nfs/dbraw/zinc/99/83/43/1204998343.db2.gz OCFTXRDVFZBWPO-ZMSDIMECSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087101386 1204999947 /nfs/dbraw/zinc/99/99/47/1204999947.db2.gz ITHPDOOATFZORP-IAGOWNOFSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087096567 1205004661 /nfs/dbraw/zinc/00/46/61/1205004661.db2.gz RVSLKZVDPKYPIW-BZUAXINKSA-N 2 1 364.494 0.110 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786293 1205012036 /nfs/dbraw/zinc/01/20/36/1205012036.db2.gz ABDOSMFPQGEAJM-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786293 1205012042 /nfs/dbraw/zinc/01/20/42/1205012042.db2.gz ABDOSMFPQGEAJM-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786293 1205012045 /nfs/dbraw/zinc/01/20/45/1205012045.db2.gz ABDOSMFPQGEAJM-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001092157597 1205174375 /nfs/dbraw/zinc/17/43/75/1205174375.db2.gz GENIJPUQCBPGSX-XLIONFOSSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092135464 1205178295 /nfs/dbraw/zinc/17/82/95/1205178295.db2.gz IVZNIZCUAXNRTJ-OHNRDTAOSA-N 2 1 368.441 0.535 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092135464 1205178298 /nfs/dbraw/zinc/17/82/98/1205178298.db2.gz IVZNIZCUAXNRTJ-OHNRDTAOSA-N 2 1 368.441 0.535 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203150 1205197744 /nfs/dbraw/zinc/19/77/44/1205197744.db2.gz FVUDSVUYGJLXIG-CLCXKQKWSA-N 2 1 360.502 0.530 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092203651 1205197785 /nfs/dbraw/zinc/19/77/85/1205197785.db2.gz URSHHUYOAUHXHG-GJYPPUQNSA-N 2 1 370.501 0.642 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275470 1205221812 /nfs/dbraw/zinc/22/18/12/1205221812.db2.gz DRNRYQXGGOIHJH-MJGOQNOKSA-N 2 1 360.506 0.771 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092274770 1205222106 /nfs/dbraw/zinc/22/21/06/1205222106.db2.gz LWAAQFRGNBVQIU-QKLQHJQFSA-N 2 1 362.518 0.779 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287335 1205253271 /nfs/dbraw/zinc/25/32/71/1205253271.db2.gz YWGWWIZMPBSHTH-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287335 1205253277 /nfs/dbraw/zinc/25/32/77/1205253277.db2.gz YWGWWIZMPBSHTH-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287335 1205253283 /nfs/dbraw/zinc/25/32/83/1205253283.db2.gz YWGWWIZMPBSHTH-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)C1 ZINC001092287335 1205253288 /nfs/dbraw/zinc/25/32/88/1205253288.db2.gz YWGWWIZMPBSHTH-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP Cc1cnc2c(N(CC[NH3+])C(=O)C[NH2+]CCC[NH3+])nc3ccc(C)cc3n12 ZINC001220458256 1224879067 /nfs/dbraw/zinc/87/90/67/1224879067.db2.gz LNEFGOCXBBXLQT-UHFFFAOYSA-N 3 1 369.473 0.729 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521710 1205302793 /nfs/dbraw/zinc/30/27/93/1205302793.db2.gz BUAWYSPIENRGFK-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521710 1205302796 /nfs/dbraw/zinc/30/27/96/1205302796.db2.gz BUAWYSPIENRGFK-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092521710 1205302801 /nfs/dbraw/zinc/30/28/01/1205302801.db2.gz BUAWYSPIENRGFK-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092521710 1205302806 /nfs/dbraw/zinc/30/28/06/1205302806.db2.gz BUAWYSPIENRGFK-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523392 1205302912 /nfs/dbraw/zinc/30/29/12/1205302912.db2.gz JBDZDELBYQMRJV-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523392 1205302916 /nfs/dbraw/zinc/30/29/16/1205302916.db2.gz JBDZDELBYQMRJV-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523392 1205302917 /nfs/dbraw/zinc/30/29/17/1205302917.db2.gz JBDZDELBYQMRJV-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523392 1205302920 /nfs/dbraw/zinc/30/29/20/1205302920.db2.gz JBDZDELBYQMRJV-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@H]2C)CC[NH+]1C ZINC001092621439 1205329770 /nfs/dbraw/zinc/32/97/70/1205329770.db2.gz JTALJPIQEKQZDF-KBUPBQIOSA-N 2 1 363.462 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@H]2C)CC[NH+]1C ZINC001092621439 1205329771 /nfs/dbraw/zinc/32/97/71/1205329771.db2.gz JTALJPIQEKQZDF-KBUPBQIOSA-N 2 1 363.462 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)Nc3ccon3)C[C@H]2C)CC[N@@H+]1C ZINC001092621439 1205329772 /nfs/dbraw/zinc/32/97/72/1205329772.db2.gz JTALJPIQEKQZDF-KBUPBQIOSA-N 2 1 363.462 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)Nc3ccon3)C[C@H]2C)CC[N@H+]1C ZINC001092621439 1205329773 /nfs/dbraw/zinc/32/97/73/1205329773.db2.gz JTALJPIQEKQZDF-KBUPBQIOSA-N 2 1 363.462 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC[NH+]1C ZINC001092620644 1205329906 /nfs/dbraw/zinc/32/99/06/1205329906.db2.gz TUTDNOHTQZTZMO-JOCBIADPSA-N 2 1 360.502 0.910 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC[N@@H+]1C ZINC001092620644 1205329912 /nfs/dbraw/zinc/32/99/12/1205329912.db2.gz TUTDNOHTQZTZMO-JOCBIADPSA-N 2 1 360.502 0.910 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC[N@H+]1C ZINC001092620644 1205329915 /nfs/dbraw/zinc/32/99/15/1205329915.db2.gz TUTDNOHTQZTZMO-JOCBIADPSA-N 2 1 360.502 0.910 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220480090 1224887740 /nfs/dbraw/zinc/88/77/40/1224887740.db2.gz NMRLEFGHPKCHOO-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220480090 1224887742 /nfs/dbraw/zinc/88/77/42/1224887742.db2.gz NMRLEFGHPKCHOO-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533901 1224910842 /nfs/dbraw/zinc/91/08/42/1224910842.db2.gz TTWRSNQWVHWIOH-PMACEKPBSA-N 3 1 370.497 0.842 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918716 1205944776 /nfs/dbraw/zinc/94/47/76/1205944776.db2.gz NCRLTQPZQZIFLP-BMFZPTHFSA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132983 1206032620 /nfs/dbraw/zinc/03/26/20/1206032620.db2.gz JIJRBHMBMKTTBS-ZIAGYGMSSA-N 2 1 362.478 0.416 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132983 1206032626 /nfs/dbraw/zinc/03/26/26/1206032626.db2.gz JIJRBHMBMKTTBS-ZIAGYGMSSA-N 2 1 362.478 0.416 20 0 FCADMP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553637 1224925807 /nfs/dbraw/zinc/92/58/07/1224925807.db2.gz NVSCVYXNLVNWNK-UHOSZYNNSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553637 1224925812 /nfs/dbraw/zinc/92/58/12/1224925812.db2.gz NVSCVYXNLVNWNK-UHOSZYNNSA-N 2 1 361.486 0.940 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209171 1206057305 /nfs/dbraw/zinc/05/73/05/1206057305.db2.gz WFBGWJNZFSWOFD-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209171 1206057308 /nfs/dbraw/zinc/05/73/08/1206057308.db2.gz WFBGWJNZFSWOFD-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209171 1206057310 /nfs/dbraw/zinc/05/73/10/1206057310.db2.gz WFBGWJNZFSWOFD-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209171 1206057313 /nfs/dbraw/zinc/05/73/13/1206057313.db2.gz WFBGWJNZFSWOFD-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213134 1206060448 /nfs/dbraw/zinc/06/04/48/1206060448.db2.gz WSUMSOARNSLHNL-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213134 1206060451 /nfs/dbraw/zinc/06/04/51/1206060451.db2.gz WSUMSOARNSLHNL-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213134 1206060453 /nfs/dbraw/zinc/06/04/53/1206060453.db2.gz WSUMSOARNSLHNL-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213134 1206060456 /nfs/dbraw/zinc/06/04/56/1206060456.db2.gz WSUMSOARNSLHNL-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212672 1206060592 /nfs/dbraw/zinc/06/05/92/1206060592.db2.gz OVUCGTQHZLZZEA-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212672 1206060595 /nfs/dbraw/zinc/06/05/95/1206060595.db2.gz OVUCGTQHZLZZEA-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212672 1206060600 /nfs/dbraw/zinc/06/06/00/1206060600.db2.gz OVUCGTQHZLZZEA-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212672 1206060603 /nfs/dbraw/zinc/06/06/03/1206060603.db2.gz OVUCGTQHZLZZEA-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110148011 1206100331 /nfs/dbraw/zinc/10/03/31/1206100331.db2.gz CPJVNFYOXWGLOT-FXUDXRNXSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110148011 1206100334 /nfs/dbraw/zinc/10/03/34/1206100334.db2.gz CPJVNFYOXWGLOT-FXUDXRNXSA-N 2 1 362.474 0.389 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)ccn1 ZINC001093691141 1206100970 /nfs/dbraw/zinc/10/09/70/1206100970.db2.gz KFWHXEQXICDAIV-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)ccn1 ZINC001093691141 1206100972 /nfs/dbraw/zinc/10/09/72/1206100972.db2.gz KFWHXEQXICDAIV-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690816 1206101491 /nfs/dbraw/zinc/10/14/91/1206101491.db2.gz GHFNZIQZVOYVCP-FRFSOERESA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690816 1206101493 /nfs/dbraw/zinc/10/14/93/1206101493.db2.gz GHFNZIQZVOYVCP-FRFSOERESA-N 2 1 364.494 0.121 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001093691176 1206101562 /nfs/dbraw/zinc/10/15/62/1206101562.db2.gz LDUMHWGFVFUOQH-ATZDWAIDSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001093691176 1206101565 /nfs/dbraw/zinc/10/15/65/1206101565.db2.gz LDUMHWGFVFUOQH-ATZDWAIDSA-N 2 1 361.486 0.694 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001093780908 1206115036 /nfs/dbraw/zinc/11/50/36/1206115036.db2.gz KJETYDTYLHUEID-KBUPBQIOSA-N 2 1 365.478 0.740 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n1C ZINC001093780186 1206115059 /nfs/dbraw/zinc/11/50/59/1206115059.db2.gz WNFZMCUQJLKWHG-KLHDSHLOSA-N 2 1 362.522 0.902 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093820228 1206123564 /nfs/dbraw/zinc/12/35/64/1206123564.db2.gz HKQOXTLISGDLAV-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093822585 1206124092 /nfs/dbraw/zinc/12/40/92/1206124092.db2.gz SPDPBXWMKMWJDJ-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093822585 1206124097 /nfs/dbraw/zinc/12/40/97/1206124097.db2.gz SPDPBXWMKMWJDJ-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093822226 1206124341 /nfs/dbraw/zinc/12/43/41/1206124341.db2.gz MVCZENXAKPUWGO-FMKPAKJESA-N 2 1 361.450 0.081 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093822420 1206124350 /nfs/dbraw/zinc/12/43/50/1206124350.db2.gz QGVZFCCIHZOPCR-IIAWOOMASA-N 2 1 357.462 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093879437 1206141783 /nfs/dbraw/zinc/14/17/83/1206141783.db2.gz VOJGPVZBAKMQSZ-UMVBOHGHSA-N 2 1 363.462 0.313 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093883962 1206143136 /nfs/dbraw/zinc/14/31/36/1206143136.db2.gz GVGTWZPAPKSHLW-BZUAXINKSA-N 2 1 363.510 0.515 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093883962 1206143142 /nfs/dbraw/zinc/14/31/42/1206143142.db2.gz GVGTWZPAPKSHLW-BZUAXINKSA-N 2 1 363.510 0.515 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1 ZINC001093921590 1206150055 /nfs/dbraw/zinc/15/00/55/1206150055.db2.gz WSRYCOWVQKYNSC-BMFZPTHFSA-N 2 1 357.462 0.655 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093923932 1206150453 /nfs/dbraw/zinc/15/04/53/1206150453.db2.gz ZPAOCQXBAHZSEG-FMKPAKJESA-N 2 1 359.474 0.335 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093941036 1206163347 /nfs/dbraw/zinc/16/33/47/1206163347.db2.gz CEZOEPJUWRAARN-UNEWFSDZSA-N 2 1 361.494 0.269 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)C1 ZINC001093993808 1206165300 /nfs/dbraw/zinc/16/53/00/1206165300.db2.gz UGSZTSHDABVELG-ZACQAIPSSA-N 2 1 361.490 0.770 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)C1 ZINC001093993808 1206165305 /nfs/dbraw/zinc/16/53/05/1206165305.db2.gz UGSZTSHDABVELG-ZACQAIPSSA-N 2 1 361.490 0.770 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)CC2 ZINC001093996619 1206166599 /nfs/dbraw/zinc/16/65/99/1206166599.db2.gz LVEPEVQEKJUCAG-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)CC2 ZINC001093996945 1206167015 /nfs/dbraw/zinc/16/70/15/1206167015.db2.gz YKQDPKXKNCYBSV-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)CC2 ZINC001093999638 1206167201 /nfs/dbraw/zinc/16/72/01/1206167201.db2.gz DZFFYVWBWAYGLA-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094041008 1206174412 /nfs/dbraw/zinc/17/44/12/1206174412.db2.gz STUHJOXWQZLBIU-QLFBSQMISA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001094041202 1206174439 /nfs/dbraw/zinc/17/44/39/1206174439.db2.gz ZWMDTZHPWQUFHM-RBSFLKMASA-N 2 1 361.494 0.676 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(N(C)C)no3)[C@H](C)C2)C1 ZINC001094042431 1206174523 /nfs/dbraw/zinc/17/45/23/1206174523.db2.gz URULYIPJFDSWEC-RRFJBIMHSA-N 2 1 364.494 0.662 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)c1nnnn1C ZINC001094043899 1206174897 /nfs/dbraw/zinc/17/48/97/1206174897.db2.gz BRJBTELOZRYOGH-QLFBSQMISA-N 2 1 363.510 0.687 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)C2 ZINC001094043742 1206174974 /nfs/dbraw/zinc/17/49/74/1206174974.db2.gz WSEDSQPFOQBGRR-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094220796 1206203220 /nfs/dbraw/zinc/20/32/20/1206203220.db2.gz WBUBLQJGSAEICJ-FVQBIDKESA-N 2 1 360.506 0.828 20 0 FCADMP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001094220857 1206203486 /nfs/dbraw/zinc/20/34/86/1206203486.db2.gz ZLXXLNNWNYPKMZ-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC001094222807 1206203885 /nfs/dbraw/zinc/20/38/85/1206203885.db2.gz NSNFZQSOEHCLMD-DJIMGWMZSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001094221547 1206203962 /nfs/dbraw/zinc/20/39/62/1206203962.db2.gz QSUYDBQCOWKPAU-TZMCWYRMSA-N 2 1 358.450 0.397 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015365 1206254850 /nfs/dbraw/zinc/25/48/50/1206254850.db2.gz PKKYVXPAFFSMID-SFHVURJKSA-N 2 1 372.513 0.964 20 0 FCADMP CCN1CC[C@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CC1=O ZINC001172039705 1206255188 /nfs/dbraw/zinc/25/51/88/1206255188.db2.gz RLCPAZNNZFLIMB-KRWDZBQOSA-N 2 1 360.502 0.821 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169134 1206258199 /nfs/dbraw/zinc/25/81/99/1206258199.db2.gz DLSTWLXFEKGDEO-QZTJIDSGSA-N 2 1 372.513 0.964 20 0 FCADMP C[C@H]([NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001177349092 1206337182 /nfs/dbraw/zinc/33/71/82/1206337182.db2.gz XWTVLIARKISDPN-HLLBOEOZSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H]([NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001177349092 1206337185 /nfs/dbraw/zinc/33/71/85/1206337185.db2.gz XWTVLIARKISDPN-HLLBOEOZSA-N 2 1 368.522 0.578 20 0 FCADMP CC(=O)NCCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522240 1206358674 /nfs/dbraw/zinc/35/86/74/1206358674.db2.gz JICUELWLKXQCSJ-SJLPKXTDSA-N 2 1 370.538 0.746 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178521807 1206358777 /nfs/dbraw/zinc/35/87/77/1206358777.db2.gz FHUSRBKRZYHEDY-RBSFLKMASA-N 2 1 369.510 0.437 20 0 FCADMP O[C@H](C[NH+]1CCC[C@@H](C2OCCO2)C1)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000773749392 1206359624 /nfs/dbraw/zinc/35/96/24/1206359624.db2.gz VPBXSRXWADWLDQ-BJWYYQGGSA-N 2 1 370.490 0.517 20 0 FCADMP O[C@@H](C[NH+]1CCC[C@H](C2OCCO2)C1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000773749392 1206359626 /nfs/dbraw/zinc/35/96/26/1206359626.db2.gz VPBXSRXWADWLDQ-BJWYYQGGSA-N 2 1 370.490 0.517 20 0 FCADMP O[C@@H](C[NH+]1CCC[C@H](C2OCCO2)C1)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000773749392 1206359628 /nfs/dbraw/zinc/35/96/28/1206359628.db2.gz VPBXSRXWADWLDQ-BJWYYQGGSA-N 2 1 370.490 0.517 20 0 FCADMP C[C@@H](C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)[NH+]1CCCC1 ZINC001180576743 1206395797 /nfs/dbraw/zinc/39/57/97/1206395797.db2.gz ACJLKYOKNAPSRM-LUKYLMHMSA-N 2 1 359.474 0.918 20 0 FCADMP NC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC001180608870 1206396707 /nfs/dbraw/zinc/39/67/07/1206396707.db2.gz KWFFEEPQNSMXDK-UHFFFAOYSA-N 2 1 373.501 0.356 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1 ZINC001183372696 1206452615 /nfs/dbraw/zinc/45/26/15/1206452615.db2.gz FWLJFFRFHUMULL-JTDSTZFVSA-N 2 1 366.506 0.014 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1 ZINC001183372696 1206452618 /nfs/dbraw/zinc/45/26/18/1206452618.db2.gz FWLJFFRFHUMULL-JTDSTZFVSA-N 2 1 366.506 0.014 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001185253608 1206477356 /nfs/dbraw/zinc/47/73/56/1206477356.db2.gz XDLQTZMZAJQZSM-QGZVFWFLSA-N 2 1 360.506 0.109 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273510401 1206487247 /nfs/dbraw/zinc/48/72/47/1206487247.db2.gz GCXHQAHMHQLOMR-VSZNYVQBSA-N 2 1 360.502 0.624 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001186354162 1206496097 /nfs/dbraw/zinc/49/60/97/1206496097.db2.gz YMWCYEWEDZOTOO-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001186354162 1206496098 /nfs/dbraw/zinc/49/60/98/1206496098.db2.gz YMWCYEWEDZOTOO-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001186354162 1206496100 /nfs/dbraw/zinc/49/61/00/1206496100.db2.gz YMWCYEWEDZOTOO-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001186354162 1206496102 /nfs/dbraw/zinc/49/61/02/1206496102.db2.gz YMWCYEWEDZOTOO-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001186354162 1206496103 /nfs/dbraw/zinc/49/61/03/1206496103.db2.gz YMWCYEWEDZOTOO-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001220642843 1224981702 /nfs/dbraw/zinc/98/17/02/1224981702.db2.gz LIXHASQOTIWTLO-MOPGFXCFSA-N 2 1 361.486 0.767 20 0 FCADMP NC[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220656237 1224994881 /nfs/dbraw/zinc/99/48/81/1224994881.db2.gz RGTXXQYGWPSPRS-SFHVURJKSA-N 2 1 353.470 0.985 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212018 1207434925 /nfs/dbraw/zinc/43/49/25/1207434925.db2.gz AGPQBJGYTMEFGP-CGTJXYLNSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212018 1207434931 /nfs/dbraw/zinc/43/49/31/1207434931.db2.gz AGPQBJGYTMEFGP-CGTJXYLNSA-N 2 1 369.506 0.027 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212018 1207434933 /nfs/dbraw/zinc/43/49/33/1207434933.db2.gz AGPQBJGYTMEFGP-CGTJXYLNSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001189034404 1207497669 /nfs/dbraw/zinc/49/76/69/1207497669.db2.gz JQMIODLQOGRVOL-JCGIZDLHSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001189034404 1207497672 /nfs/dbraw/zinc/49/76/72/1207497672.db2.gz JQMIODLQOGRVOL-JCGIZDLHSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035287 1207497772 /nfs/dbraw/zinc/49/77/72/1207497772.db2.gz ULJSIVJEZOUSRZ-IPMKNSEASA-N 2 1 367.534 0.894 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126699 1207510045 /nfs/dbraw/zinc/51/00/45/1207510045.db2.gz LEKZJQQAIICVBY-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126699 1207510048 /nfs/dbraw/zinc/51/00/48/1207510048.db2.gz LEKZJQQAIICVBY-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126699 1207510053 /nfs/dbraw/zinc/51/00/53/1207510053.db2.gz LEKZJQQAIICVBY-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126699 1207510056 /nfs/dbraw/zinc/51/00/56/1207510056.db2.gz LEKZJQQAIICVBY-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 ZINC001189433579 1207549577 /nfs/dbraw/zinc/54/95/77/1207549577.db2.gz QOMLLAQAETXZPU-DOTOQJQBSA-N 2 1 357.462 0.833 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189477142 1207553365 /nfs/dbraw/zinc/55/33/65/1207553365.db2.gz DUQDCULGLMHSEL-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189820044 1207605178 /nfs/dbraw/zinc/60/51/78/1207605178.db2.gz LQVWFEMQBIBWBS-RCCFBDPRSA-N 2 1 369.506 0.293 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001190262495 1207670114 /nfs/dbraw/zinc/67/01/14/1207670114.db2.gz DSYVSELPRFWUIJ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001190262495 1207670120 /nfs/dbraw/zinc/67/01/20/1207670120.db2.gz DSYVSELPRFWUIJ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486309 1207688093 /nfs/dbraw/zinc/68/80/93/1207688093.db2.gz ALVHUQVRHVJRBE-GBESFXJTSA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486309 1207688097 /nfs/dbraw/zinc/68/80/97/1207688097.db2.gz ALVHUQVRHVJRBE-GBESFXJTSA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486309 1207688100 /nfs/dbraw/zinc/68/81/00/1207688100.db2.gz ALVHUQVRHVJRBE-GBESFXJTSA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486309 1207688103 /nfs/dbraw/zinc/68/81/03/1207688103.db2.gz ALVHUQVRHVJRBE-GBESFXJTSA-N 2 1 361.486 0.658 20 0 FCADMP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191469128 1207792803 /nfs/dbraw/zinc/79/28/03/1207792803.db2.gz SFNHLZAJVKVKSK-KURKYZTESA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@H]2O)CCC1 ZINC001193773850 1207887737 /nfs/dbraw/zinc/88/77/37/1207887737.db2.gz FAIRFVDOAFQKNW-BRWVUGGUSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791073 1207889401 /nfs/dbraw/zinc/88/94/01/1207889401.db2.gz DOHFMMJYGOJVGI-QRVBRYPASA-N 2 1 361.486 0.957 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791073 1207889404 /nfs/dbraw/zinc/88/94/04/1207889404.db2.gz DOHFMMJYGOJVGI-QRVBRYPASA-N 2 1 361.486 0.957 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O)C1CCC1 ZINC001193821451 1207892645 /nfs/dbraw/zinc/89/26/45/1207892645.db2.gz IYDJAGWEECFQNQ-IAGOWNOFSA-N 2 1 359.430 0.368 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O)C1CCC1 ZINC001193821451 1207892646 /nfs/dbraw/zinc/89/26/46/1207892646.db2.gz IYDJAGWEECFQNQ-IAGOWNOFSA-N 2 1 359.430 0.368 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O)C1CCC1 ZINC001193821451 1207892648 /nfs/dbraw/zinc/89/26/48/1207892648.db2.gz IYDJAGWEECFQNQ-IAGOWNOFSA-N 2 1 359.430 0.368 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)C1CCC1 ZINC001193821451 1207892649 /nfs/dbraw/zinc/89/26/49/1207892649.db2.gz IYDJAGWEECFQNQ-IAGOWNOFSA-N 2 1 359.430 0.368 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001273666967 1207896674 /nfs/dbraw/zinc/89/66/74/1207896674.db2.gz YAKUPSALTAWRKM-UHFFFAOYSA-N 2 1 361.490 0.675 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194281986 1207932542 /nfs/dbraw/zinc/93/25/42/1207932542.db2.gz BRINJNGCZUEZAB-QZTJIDSGSA-N 2 1 364.490 0.886 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289819 1207934156 /nfs/dbraw/zinc/93/41/56/1207934156.db2.gz PAJFCDNDHRLHDM-KBAYOESNSA-N 2 1 362.474 0.496 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289817 1207934473 /nfs/dbraw/zinc/93/44/73/1207934473.db2.gz PAJFCDNDHRLHDM-CGTJXYLNSA-N 2 1 362.474 0.496 20 0 FCADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195707914 1208035803 /nfs/dbraw/zinc/03/58/03/1208035803.db2.gz AJGMKVTWUGQJIN-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195707914 1208035808 /nfs/dbraw/zinc/03/58/08/1208035808.db2.gz AJGMKVTWUGQJIN-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCN([C@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001195900655 1208044596 /nfs/dbraw/zinc/04/45/96/1208044596.db2.gz OPMCFSSSOVNEKZ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP COc1ccc(COCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195870795 1208044988 /nfs/dbraw/zinc/04/49/88/1208044988.db2.gz LNYGLTNNGGLFEF-QZTJIDSGSA-N 2 1 365.474 0.325 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](CC)CC ZINC001196114923 1208058598 /nfs/dbraw/zinc/05/85/98/1208058598.db2.gz HDWXYSZHKCGGPS-IXDOHACOSA-N 2 1 364.490 0.167 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001196169601 1208063550 /nfs/dbraw/zinc/06/35/50/1208063550.db2.gz VYGYCWWKLDGPPP-KBAYOESNSA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001196169601 1208063555 /nfs/dbraw/zinc/06/35/55/1208063555.db2.gz VYGYCWWKLDGPPP-KBAYOESNSA-N 2 1 364.490 0.730 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1)OC ZINC001196222029 1208067528 /nfs/dbraw/zinc/06/75/28/1208067528.db2.gz GDFBEXKKABTDAN-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1)OC ZINC001196222029 1208067532 /nfs/dbraw/zinc/06/75/32/1208067532.db2.gz GDFBEXKKABTDAN-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1)OC ZINC001196222029 1208067535 /nfs/dbraw/zinc/06/75/35/1208067535.db2.gz GDFBEXKKABTDAN-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1)OC ZINC001196222029 1208067540 /nfs/dbraw/zinc/06/75/40/1208067540.db2.gz GDFBEXKKABTDAN-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222636 1208068448 /nfs/dbraw/zinc/06/84/48/1208068448.db2.gz VIUSJPGUMXOOEC-QXAKKESOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222636 1208068450 /nfs/dbraw/zinc/06/84/50/1208068450.db2.gz VIUSJPGUMXOOEC-QXAKKESOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196222636 1208068451 /nfs/dbraw/zinc/06/84/51/1208068451.db2.gz VIUSJPGUMXOOEC-QXAKKESOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196222636 1208068452 /nfs/dbraw/zinc/06/84/52/1208068452.db2.gz VIUSJPGUMXOOEC-QXAKKESOSA-N 2 1 363.502 0.483 20 0 FCADMP Cc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001196945380 1208123868 /nfs/dbraw/zinc/12/38/68/1208123868.db2.gz BHMOQGUPKNGOQT-RTBURBONSA-N 2 1 361.486 0.421 20 0 FCADMP Cc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001196945380 1208123869 /nfs/dbraw/zinc/12/38/69/1208123869.db2.gz BHMOQGUPKNGOQT-RTBURBONSA-N 2 1 361.486 0.421 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001197058703 1208132429 /nfs/dbraw/zinc/13/24/29/1208132429.db2.gz XGQUCHSWCUKNGZ-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001197058703 1208132431 /nfs/dbraw/zinc/13/24/31/1208132431.db2.gz XGQUCHSWCUKNGZ-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001197139688 1208137896 /nfs/dbraw/zinc/13/78/96/1208137896.db2.gz ODJBMCMEWKXMAQ-BRWVUGGUSA-N 2 1 368.522 0.135 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294497 1208153729 /nfs/dbraw/zinc/15/37/29/1208153729.db2.gz AAMLFWJCXXBDAA-DJIMGWMZSA-N 2 1 369.473 0.768 20 0 FCADMP C[N@H+]1CCCN(Cc2cccc(C(=O)n3cnc(C[NH3+])cc3=N)c2)CC1 ZINC001197510776 1208169168 /nfs/dbraw/zinc/16/91/68/1208169168.db2.gz XJLFZDMAUXSSCE-UHFFFAOYSA-N 2 1 354.458 0.647 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535689 1208170681 /nfs/dbraw/zinc/17/06/81/1208170681.db2.gz BBFJGUPEUDDTDL-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535689 1208170683 /nfs/dbraw/zinc/17/06/83/1208170683.db2.gz BBFJGUPEUDDTDL-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535689 1208170685 /nfs/dbraw/zinc/17/06/85/1208170685.db2.gz BBFJGUPEUDDTDL-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493270 1208171489 /nfs/dbraw/zinc/17/14/89/1208171489.db2.gz IBYRTVJSXUWKFD-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493270 1208171492 /nfs/dbraw/zinc/17/14/92/1208171492.db2.gz IBYRTVJSXUWKFD-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493270 1208171502 /nfs/dbraw/zinc/17/15/02/1208171502.db2.gz IBYRTVJSXUWKFD-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493270 1208171506 /nfs/dbraw/zinc/17/15/06/1208171506.db2.gz IBYRTVJSXUWKFD-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001197536640 1208171815 /nfs/dbraw/zinc/17/18/15/1208171815.db2.gz XVCGIDSFERUNEQ-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001197536640 1208171823 /nfs/dbraw/zinc/17/18/23/1208171823.db2.gz XVCGIDSFERUNEQ-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001197536640 1208171826 /nfs/dbraw/zinc/17/18/26/1208171826.db2.gz XVCGIDSFERUNEQ-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001197826492 1208201743 /nfs/dbraw/zinc/20/17/43/1208201743.db2.gz ZRCCJPBREPPDFM-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001197825705 1208201809 /nfs/dbraw/zinc/20/18/09/1208201809.db2.gz GPWCCCDICLFRRI-QZTJIDSGSA-N 2 1 360.458 0.407 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O ZINC001197825982 1208201918 /nfs/dbraw/zinc/20/19/18/1208201918.db2.gz KCIDUGIRYUNYLJ-HZPDHXFCSA-N 2 1 371.428 0.864 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1O ZINC001197825982 1208201919 /nfs/dbraw/zinc/20/19/19/1208201919.db2.gz KCIDUGIRYUNYLJ-HZPDHXFCSA-N 2 1 371.428 0.864 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001198146082 1208224031 /nfs/dbraw/zinc/22/40/31/1208224031.db2.gz AZNWPKBPUMZWRZ-UHFFFAOYSA-N 2 1 353.430 0.242 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729166 1208283949 /nfs/dbraw/zinc/28/39/49/1208283949.db2.gz DWKMYYAGXNTSJC-QZTJIDSGSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729166 1208283955 /nfs/dbraw/zinc/28/39/55/1208283955.db2.gz DWKMYYAGXNTSJC-QZTJIDSGSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)n1 ZINC001199023688 1208310470 /nfs/dbraw/zinc/31/04/70/1208310470.db2.gz NIQLKVFMISPCEF-HZPDHXFCSA-N 2 1 365.478 0.348 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)n1 ZINC001199023688 1208310471 /nfs/dbraw/zinc/31/04/71/1208310471.db2.gz NIQLKVFMISPCEF-HZPDHXFCSA-N 2 1 365.478 0.348 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057981 1208314606 /nfs/dbraw/zinc/31/46/06/1208314606.db2.gz ZAGPZTFVPNHPIF-GVDBMIGSSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057981 1208314609 /nfs/dbraw/zinc/31/46/09/1208314609.db2.gz ZAGPZTFVPNHPIF-GVDBMIGSSA-N 2 1 368.522 0.279 20 0 FCADMP CNC(=O)c1ccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001199103674 1208318427 /nfs/dbraw/zinc/31/84/27/1208318427.db2.gz BNFNHROUGUZIRJ-IAGOWNOFSA-N 2 1 362.474 0.048 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199103674 1208318434 /nfs/dbraw/zinc/31/84/34/1208318434.db2.gz BNFNHROUGUZIRJ-IAGOWNOFSA-N 2 1 362.474 0.048 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199103674 1208318439 /nfs/dbraw/zinc/31/84/39/1208318439.db2.gz BNFNHROUGUZIRJ-IAGOWNOFSA-N 2 1 362.474 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001199103674 1208318444 /nfs/dbraw/zinc/31/84/44/1208318444.db2.gz BNFNHROUGUZIRJ-IAGOWNOFSA-N 2 1 362.474 0.048 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104347 1208318560 /nfs/dbraw/zinc/31/85/60/1208318560.db2.gz KUNCCUXEBBQKJA-BRWVUGGUSA-N 2 1 371.428 0.500 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129153 1208320424 /nfs/dbraw/zinc/32/04/24/1208320424.db2.gz YXYJZBFUNPNFGT-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129153 1208320426 /nfs/dbraw/zinc/32/04/26/1208320426.db2.gz YXYJZBFUNPNFGT-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384827 1208345371 /nfs/dbraw/zinc/34/53/71/1208345371.db2.gz OXMDLGUHZMAVAF-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384827 1208345376 /nfs/dbraw/zinc/34/53/76/1208345376.db2.gz OXMDLGUHZMAVAF-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384827 1208345381 /nfs/dbraw/zinc/34/53/81/1208345381.db2.gz OXMDLGUHZMAVAF-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199384827 1208345385 /nfs/dbraw/zinc/34/53/85/1208345385.db2.gz OXMDLGUHZMAVAF-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199398524 1208349036 /nfs/dbraw/zinc/34/90/36/1208349036.db2.gz UBIAVKJURYJDMT-BRWVUGGUSA-N 2 1 366.462 0.020 20 0 FCADMP O=C(Cn1ccnc1)N[C@@H]1CN(C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199405775 1208349692 /nfs/dbraw/zinc/34/96/92/1208349692.db2.gz KUEGUYQVMICZFM-RCCFBDPRSA-N 2 1 358.442 0.038 20 0 FCADMP COCC[C@H](c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199406634 1208349833 /nfs/dbraw/zinc/34/98/33/1208349833.db2.gz UYSGRESOPXKFBJ-KZNAEPCWSA-N 2 1 358.442 0.822 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001220768570 1225062300 /nfs/dbraw/zinc/06/23/00/1225062300.db2.gz RQASUNODFBZQOF-MOPGFXCFSA-N 2 1 361.486 0.804 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](Cc2cn[nH]c2)C3)CC1 ZINC001273847423 1208425718 /nfs/dbraw/zinc/42/57/18/1208425718.db2.gz GHZOAJZTMBBEBZ-UHFFFAOYSA-N 2 1 360.506 0.470 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230900 1208449278 /nfs/dbraw/zinc/44/92/78/1208449278.db2.gz YBDXKGFRXHGEAK-RHSMWYFYSA-N 2 1 368.522 0.591 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230900 1208449281 /nfs/dbraw/zinc/44/92/81/1208449281.db2.gz YBDXKGFRXHGEAK-RHSMWYFYSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201240245 1208449701 /nfs/dbraw/zinc/44/97/01/1208449701.db2.gz PXNFHUMWCQZURW-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201240245 1208449703 /nfs/dbraw/zinc/44/97/03/1208449703.db2.gz PXNFHUMWCQZURW-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCO[C@@H]3CCOC3)CC2)O1 ZINC001201239074 1208450104 /nfs/dbraw/zinc/45/01/04/1208450104.db2.gz HALQFVDYHIDPPQ-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCO[C@@H]3CCOC3)CC2)O1 ZINC001201239074 1208450107 /nfs/dbraw/zinc/45/01/07/1208450107.db2.gz HALQFVDYHIDPPQ-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP Cc1cnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4CCOCCO)ccn12 ZINC001110562410 1208451930 /nfs/dbraw/zinc/45/19/30/1208451930.db2.gz OZJGIAMQVXQNOK-ZACQAIPSSA-N 2 1 358.442 0.987 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827594 1225092849 /nfs/dbraw/zinc/09/28/49/1225092849.db2.gz UPZDRGWTRNCNAW-DLBZAZTESA-N 2 1 359.426 0.158 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827594 1225092856 /nfs/dbraw/zinc/09/28/56/1225092856.db2.gz UPZDRGWTRNCNAW-DLBZAZTESA-N 2 1 359.426 0.158 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001489527250 1208882025 /nfs/dbraw/zinc/88/20/25/1208882025.db2.gz ZDQSBJGWLBTICK-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001489545072 1208906417 /nfs/dbraw/zinc/90/64/17/1208906417.db2.gz DCZSRTQGOGGWNO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001489545072 1208906421 /nfs/dbraw/zinc/90/64/21/1208906421.db2.gz DCZSRTQGOGGWNO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001489545072 1208906428 /nfs/dbraw/zinc/90/64/28/1208906428.db2.gz DCZSRTQGOGGWNO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP COC(=O)c1cccc(CN2CCC(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220913559 1225137152 /nfs/dbraw/zinc/13/71/52/1225137152.db2.gz VMTGHYPMNIMETN-KRWDZBQOSA-N 2 1 362.474 0.620 20 0 FCADMP CC(CN1CC[C@H](N2CCOC2=O)C1)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437565 1209549859 /nfs/dbraw/zinc/54/98/59/1209549859.db2.gz YXANDDQXPSAZAD-HOTGVXAUSA-N 2 1 366.462 0.676 20 0 FCADMP CC(C[NH+]1CC[C@H](N2CCOC2=O)C1)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437565 1209549866 /nfs/dbraw/zinc/54/98/66/1209549866.db2.gz YXANDDQXPSAZAD-HOTGVXAUSA-N 2 1 366.462 0.676 20 0 FCADMP CC(C[NH+]1CC[C@H](N2CCOC2=O)C1)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437565 1209549869 /nfs/dbraw/zinc/54/98/69/1209549869.db2.gz YXANDDQXPSAZAD-HOTGVXAUSA-N 2 1 366.462 0.676 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)Cn2cccn2)CCC1 ZINC001110664938 1209591543 /nfs/dbraw/zinc/59/15/43/1209591543.db2.gz FODKPYUSGMADSJ-VQHPVUNQSA-N 2 1 361.490 0.450 20 0 FCADMP COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673933 1209608772 /nfs/dbraw/zinc/60/87/72/1209608772.db2.gz ZLEOIZZUZUEICA-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087281 1209738865 /nfs/dbraw/zinc/73/88/65/1209738865.db2.gz RTOUPJPVXFZWJU-CXAGYDPISA-N 2 1 363.462 0.476 20 0 FCADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087281 1209738871 /nfs/dbraw/zinc/73/88/71/1209738871.db2.gz RTOUPJPVXFZWJU-CXAGYDPISA-N 2 1 363.462 0.476 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000861769540 1209881463 /nfs/dbraw/zinc/88/14/63/1209881463.db2.gz MJZCWWLIPKFBDB-LBPRGKRZSA-N 2 1 368.428 0.851 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220979838 1225171899 /nfs/dbraw/zinc/17/18/99/1225171899.db2.gz WVFQWWHZJFOOLG-MSOLQXFVSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220979838 1225171907 /nfs/dbraw/zinc/17/19/07/1225171907.db2.gz WVFQWWHZJFOOLG-MSOLQXFVSA-N 2 1 364.490 0.950 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000863754464 1209950400 /nfs/dbraw/zinc/95/04/00/1209950400.db2.gz SMRQRNHZZLBHEA-KRWDZBQOSA-N 2 1 360.502 0.959 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000864884341 1209967046 /nfs/dbraw/zinc/96/70/46/1209967046.db2.gz JASHNKNZOWUTOB-KFESYUHLSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000864884341 1209967050 /nfs/dbraw/zinc/96/70/50/1209967050.db2.gz JASHNKNZOWUTOB-KFESYUHLSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000864884341 1209967053 /nfs/dbraw/zinc/96/70/53/1209967053.db2.gz JASHNKNZOWUTOB-KFESYUHLSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(F)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605131 1209981687 /nfs/dbraw/zinc/98/16/87/1209981687.db2.gz NCNBEBOXOLLBRS-HOTGVXAUSA-N 2 1 366.481 0.526 20 0 FCADMP COc1cccc(NC(=O)CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714731 1210005098 /nfs/dbraw/zinc/00/50/98/1210005098.db2.gz WCZKROCBYAGUTR-UAGQMJEPSA-N 2 1 374.441 0.891 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868050057 1210040088 /nfs/dbraw/zinc/04/00/88/1210040088.db2.gz BTVUZIJYSXZVBF-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868050057 1210040093 /nfs/dbraw/zinc/04/00/93/1210040093.db2.gz BTVUZIJYSXZVBF-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868302452 1210050720 /nfs/dbraw/zinc/05/07/20/1210050720.db2.gz GRKVSIIPMYYYGV-FMKPAKJESA-N 2 1 360.458 0.872 20 0 FCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@@H]21 ZINC000868695442 1210072050 /nfs/dbraw/zinc/07/20/50/1210072050.db2.gz QHLGXSLEDHGCHX-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@@H]21 ZINC000868695442 1210072053 /nfs/dbraw/zinc/07/20/53/1210072053.db2.gz QHLGXSLEDHGCHX-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000871463555 1210156350 /nfs/dbraw/zinc/15/63/50/1210156350.db2.gz IIHJZTFVFUGVLT-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC1(C)CC[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000872298326 1210188011 /nfs/dbraw/zinc/18/80/11/1210188011.db2.gz FNKLKUJKDMBLGM-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cn2cc[nH+]c12 ZINC000873103883 1210234412 /nfs/dbraw/zinc/23/44/12/1210234412.db2.gz YDYRTFOXSMPWJL-HNNXBMFYSA-N 2 1 371.441 0.856 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000875334014 1210365985 /nfs/dbraw/zinc/36/59/85/1210365985.db2.gz JFGNOEQQZSSJJQ-RDJZCZTQSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000875334014 1210365990 /nfs/dbraw/zinc/36/59/90/1210365990.db2.gz JFGNOEQQZSSJJQ-RDJZCZTQSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001221073213 1225209951 /nfs/dbraw/zinc/20/99/51/1225209951.db2.gz LFEBUAQIYXDUAT-MSOLQXFVSA-N 2 1 363.506 0.537 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783956 1210430766 /nfs/dbraw/zinc/43/07/66/1210430766.db2.gz RVEBEYNRJDOVNU-ZWKOTPCHSA-N 2 1 374.533 0.968 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077200 1225212297 /nfs/dbraw/zinc/21/22/97/1225212297.db2.gz DFVFCBXQYWHAJQ-MSOLQXFVSA-N 2 1 365.474 0.186 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077200 1225212301 /nfs/dbraw/zinc/21/23/01/1225212301.db2.gz DFVFCBXQYWHAJQ-MSOLQXFVSA-N 2 1 365.474 0.186 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093859 1225220153 /nfs/dbraw/zinc/22/01/53/1225220153.db2.gz ZZNWGPONNHFYMM-OTWHNJEPSA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093859 1225220159 /nfs/dbraw/zinc/22/01/59/1225220159.db2.gz ZZNWGPONNHFYMM-OTWHNJEPSA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221093859 1225220164 /nfs/dbraw/zinc/22/01/64/1225220164.db2.gz ZZNWGPONNHFYMM-OTWHNJEPSA-N 2 1 363.502 0.482 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096385 1225220916 /nfs/dbraw/zinc/22/09/16/1225220916.db2.gz RKJYSENOYPVZJE-FGTMMUONSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096385 1225220922 /nfs/dbraw/zinc/22/09/22/1225220922.db2.gz RKJYSENOYPVZJE-FGTMMUONSA-N 2 1 371.522 0.321 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@](O)(C(=O)OC)C3)CC2)CC1 ZINC000882857551 1210640202 /nfs/dbraw/zinc/64/02/02/1210640202.db2.gz LXSSXYSODUGROW-LJQANCHMSA-N 2 1 367.490 0.319 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000883251142 1210660356 /nfs/dbraw/zinc/66/03/56/1210660356.db2.gz DOLHGPMVJGBUAM-GOSISDBHSA-N 3 1 360.506 0.987 20 0 FCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000883251142 1210660359 /nfs/dbraw/zinc/66/03/59/1210660359.db2.gz DOLHGPMVJGBUAM-GOSISDBHSA-N 2 1 360.506 0.987 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000883251142 1210660363 /nfs/dbraw/zinc/66/03/63/1210660363.db2.gz DOLHGPMVJGBUAM-GOSISDBHSA-N 2 1 360.506 0.987 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000883441658 1210666837 /nfs/dbraw/zinc/66/68/37/1210666837.db2.gz UXWZSCJRBWEUGL-AEFFLSMTSA-N 2 1 368.522 0.897 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000883457999 1210669090 /nfs/dbraw/zinc/66/90/90/1210669090.db2.gz UJERAEPGJXGZIG-HOTGVXAUSA-N 2 1 365.522 0.985 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)n1C ZINC000883502172 1210670604 /nfs/dbraw/zinc/67/06/04/1210670604.db2.gz DEDNPYSFRLOEAJ-HNNXBMFYSA-N 2 1 364.494 0.929 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000883604645 1210673851 /nfs/dbraw/zinc/67/38/51/1210673851.db2.gz BMMCECOVLFJLJI-WBVHZDCISA-N 2 1 357.458 0.388 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611510 1210674939 /nfs/dbraw/zinc/67/49/39/1210674939.db2.gz AJBNIYOPUTYXQC-PBHICJAKSA-N 2 1 359.474 0.715 20 0 FCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883609990 1210674956 /nfs/dbraw/zinc/67/49/56/1210674956.db2.gz JYMDNGJOWYMZGN-QGTPRVQTSA-N 2 1 371.485 0.858 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611732 1210674982 /nfs/dbraw/zinc/67/49/82/1210674982.db2.gz HTJORRKZYHADKG-VKJFTORMSA-N 2 1 371.485 0.858 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883612132 1210675164 /nfs/dbraw/zinc/67/51/64/1210675164.db2.gz SYCXBTUFRQTSES-JCGIZDLHSA-N 2 1 371.485 0.776 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883611554 1210675203 /nfs/dbraw/zinc/67/52/03/1210675203.db2.gz BNYXOAXKITUUKX-MPGHIAIKSA-N 2 1 371.485 0.763 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611512 1210675320 /nfs/dbraw/zinc/67/53/20/1210675320.db2.gz AJBNIYOPUTYXQC-WMLDXEAASA-N 2 1 359.474 0.715 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611948 1210675328 /nfs/dbraw/zinc/67/53/28/1210675328.db2.gz OKYQNMKGJXHKSB-KRWDZBQOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000883648799 1210679695 /nfs/dbraw/zinc/67/96/95/1210679695.db2.gz FVDUAYNQKMVVBH-SFHVURJKSA-N 2 1 374.485 0.721 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000883648799 1210679696 /nfs/dbraw/zinc/67/96/96/1210679696.db2.gz FVDUAYNQKMVVBH-SFHVURJKSA-N 2 1 374.485 0.721 20 0 FCADMP [NH3+][C@H](CC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000884307882 1210729109 /nfs/dbraw/zinc/72/91/09/1210729109.db2.gz XRWDCWSXBAYTTF-QGZVFWFLSA-N 2 1 366.506 0.191 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000884486387 1210737862 /nfs/dbraw/zinc/73/78/62/1210737862.db2.gz VSOWPFGBVXSAEW-WMLDXEAASA-N 2 1 362.474 0.625 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884503565 1210740272 /nfs/dbraw/zinc/74/02/72/1210740272.db2.gz NZLWICIRTKZOCL-GBESFXJTSA-N 2 1 370.497 0.630 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884508442 1210741013 /nfs/dbraw/zinc/74/10/13/1210741013.db2.gz FLVQAZUBVWNYSE-QGZVFWFLSA-N 2 1 355.442 0.529 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884513625 1210742359 /nfs/dbraw/zinc/74/23/59/1210742359.db2.gz NFWXZUDNTDTIES-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884516604 1210742814 /nfs/dbraw/zinc/74/28/14/1210742814.db2.gz ONAJUONRIGYHMK-INIZCTEOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884514067 1210743161 /nfs/dbraw/zinc/74/31/61/1210743161.db2.gz YVRPWQBMXRNTMH-KBAYOESNSA-N 2 1 358.486 0.820 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884522834 1210744639 /nfs/dbraw/zinc/74/46/39/1210744639.db2.gz JDENHKUWPPEZSF-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884522834 1210744641 /nfs/dbraw/zinc/74/46/41/1210744641.db2.gz JDENHKUWPPEZSF-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884532730 1210745511 /nfs/dbraw/zinc/74/55/11/1210745511.db2.gz PBVIWWKIPDCNRY-FZCLSBEQSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC000884544386 1210747121 /nfs/dbraw/zinc/74/71/21/1210747121.db2.gz FNEZVXPFGQAKNW-QFBILLFUSA-N 2 1 366.506 0.063 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000884553852 1210748886 /nfs/dbraw/zinc/74/88/86/1210748886.db2.gz IRJAGCGQCSCSFX-CJNGLKHVSA-N 2 1 356.470 0.690 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000884553612 1210748994 /nfs/dbraw/zinc/74/89/94/1210748994.db2.gz CQIBPKSHKGAIFW-PVAVHDDUSA-N 2 1 358.486 0.804 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554230 1210749191 /nfs/dbraw/zinc/74/91/91/1210749191.db2.gz PJHVNFAOPMMSGK-FZKQIMNGSA-N 2 1 356.470 0.547 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CC[NH2+]C1 ZINC000884557304 1210749753 /nfs/dbraw/zinc/74/97/53/1210749753.db2.gz LUSHIYKGBILPFG-OAHLLOKOSA-N 2 1 356.430 0.402 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cn1 ZINC000884556824 1210750120 /nfs/dbraw/zinc/75/01/20/1210750120.db2.gz AAIJCQZXVKQOMM-HZPDHXFCSA-N 2 1 368.441 0.545 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000884559683 1210750753 /nfs/dbraw/zinc/75/07/53/1210750753.db2.gz BJFDCLFJLZSKSN-KURKYZTESA-N 2 1 374.485 0.042 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000884560173 1210751964 /nfs/dbraw/zinc/75/19/64/1210751964.db2.gz PDAGDAFRAKDVIP-YOEHRIQHSA-N 2 1 358.486 0.888 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884597461 1210758401 /nfs/dbraw/zinc/75/84/01/1210758401.db2.gz BJUPWUDMGSEASD-MRXNPFEDSA-N 2 1 367.538 0.025 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884597901 1210759120 /nfs/dbraw/zinc/75/91/20/1210759120.db2.gz NQPMBEIBXCOEFF-KRWDZBQOSA-N 2 1 367.538 0.250 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884601557 1210759853 /nfs/dbraw/zinc/75/98/53/1210759853.db2.gz PJJOUSZPDPFABN-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601917 1210760134 /nfs/dbraw/zinc/76/01/34/1210760134.db2.gz YWSZYOVQYZHLKN-OKZBNKHCSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884601466 1210760188 /nfs/dbraw/zinc/76/01/88/1210760188.db2.gz MBSGKXFBZWSVFP-BPQIPLTHSA-N 2 1 358.486 0.678 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608239 1210762041 /nfs/dbraw/zinc/76/20/41/1210762041.db2.gz NIRSOOBJSWPIPG-LVCYWYKZSA-N 2 1 370.497 0.978 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000884618217 1210763784 /nfs/dbraw/zinc/76/37/84/1210763784.db2.gz YWMIHXAMKMCIKY-KBXCAEBGSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000884618217 1210763787 /nfs/dbraw/zinc/76/37/87/1210763787.db2.gz YWMIHXAMKMCIKY-KBXCAEBGSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000884618219 1210763956 /nfs/dbraw/zinc/76/39/56/1210763956.db2.gz YWMIHXAMKMCIKY-KSSFIOAISA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000884618219 1210763961 /nfs/dbraw/zinc/76/39/61/1210763961.db2.gz YWMIHXAMKMCIKY-KSSFIOAISA-N 2 1 374.485 0.767 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000884622163 1210764570 /nfs/dbraw/zinc/76/45/70/1210764570.db2.gz GPWDZUQLVBFWFD-INIZCTEOSA-N 2 1 359.474 0.817 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1=CC[N@@H+](C)CC1 ZINC000884623683 1210764798 /nfs/dbraw/zinc/76/47/98/1210764798.db2.gz LOMJATZLMCUFSU-CQSZACIVSA-N 2 1 356.470 0.715 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884627368 1210766191 /nfs/dbraw/zinc/76/61/91/1210766191.db2.gz NDCDJJJBASUQHV-RHSMWYFYSA-N 2 1 356.470 0.418 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000884629842 1210766552 /nfs/dbraw/zinc/76/65/52/1210766552.db2.gz FUPXKYFDCAGKAE-BGTYHANMSA-N 2 1 356.470 0.728 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000884641067 1210770859 /nfs/dbraw/zinc/77/08/59/1210770859.db2.gz ZFJMLMJSCKNDSD-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000884650893 1210773063 /nfs/dbraw/zinc/77/30/63/1210773063.db2.gz YOQFNGFYYAJGSX-KRWDZBQOSA-N 2 1 362.474 0.626 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884660099 1210774385 /nfs/dbraw/zinc/77/43/85/1210774385.db2.gz LHYFVIUZDRFZCQ-OKZBNKHCSA-N 2 1 356.470 0.586 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669794 1210775523 /nfs/dbraw/zinc/77/55/23/1210775523.db2.gz HAPREJGXKATXAT-XHSDSOJGSA-N 2 1 364.490 0.004 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000884675479 1210776698 /nfs/dbraw/zinc/77/66/98/1210776698.db2.gz FHWZRRJIKDQCRB-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000884675479 1210776704 /nfs/dbraw/zinc/77/67/04/1210776704.db2.gz FHWZRRJIKDQCRB-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884675730 1210777593 /nfs/dbraw/zinc/77/75/93/1210777593.db2.gz NSQWEOYVWGYMKE-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884675730 1210777600 /nfs/dbraw/zinc/77/76/00/1210777600.db2.gz NSQWEOYVWGYMKE-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884678654 1210778468 /nfs/dbraw/zinc/77/84/68/1210778468.db2.gz HQMIVBORZNKMGX-RCCFBDPRSA-N 2 1 356.470 0.445 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884678849 1210779505 /nfs/dbraw/zinc/77/95/05/1210779505.db2.gz NUHPNBOWFBFNCB-BBTUJRGHSA-N 2 1 370.497 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690176 1210781766 /nfs/dbraw/zinc/78/17/66/1210781766.db2.gz OZXQDMKUDKCVEQ-NVXWUHKLSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000884703476 1210784026 /nfs/dbraw/zinc/78/40/26/1210784026.db2.gz AUKZBBOSOFOQLO-NVXWUHKLSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000884703476 1210784038 /nfs/dbraw/zinc/78/40/38/1210784038.db2.gz AUKZBBOSOFOQLO-NVXWUHKLSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)c1 ZINC000884715073 1210786019 /nfs/dbraw/zinc/78/60/19/1210786019.db2.gz IMHGGNBTFUFTFD-KRWDZBQOSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)c1 ZINC000884715073 1210786024 /nfs/dbraw/zinc/78/60/24/1210786024.db2.gz IMHGGNBTFUFTFD-KRWDZBQOSA-N 2 1 374.485 0.310 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884783041 1210794388 /nfs/dbraw/zinc/79/43/88/1210794388.db2.gz PDXTZALXYLNECA-KBPBESRZSA-N 2 1 372.460 0.871 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000884824858 1210800073 /nfs/dbraw/zinc/80/00/73/1210800073.db2.gz SJHYBZKVMAWTDO-RYQLBKOJSA-N 2 1 374.485 0.179 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000884824858 1210800074 /nfs/dbraw/zinc/80/00/74/1210800074.db2.gz SJHYBZKVMAWTDO-RYQLBKOJSA-N 2 1 374.485 0.179 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833036 1210800113 /nfs/dbraw/zinc/80/01/13/1210800113.db2.gz FIKFFAQDCCXLMM-TYJOOELLSA-N 2 1 370.497 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834295 1210800314 /nfs/dbraw/zinc/80/03/14/1210800314.db2.gz UYVWNNSPMWMYNR-DSLXNQLJSA-N 2 1 370.497 0.549 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884835374 1210800475 /nfs/dbraw/zinc/80/04/75/1210800475.db2.gz QHDGQYDRMWKGJX-KBAYOESNSA-N 2 1 358.486 0.678 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884851222 1210801457 /nfs/dbraw/zinc/80/14/57/1210801457.db2.gz HAXXKQIYTAOUOL-QGZVFWFLSA-N 2 1 358.486 0.890 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850760 1210801483 /nfs/dbraw/zinc/80/14/83/1210801483.db2.gz AAWQRIMKNFALPP-IEBWSBKVSA-N 2 1 370.497 0.891 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[NH2+]C1 ZINC000884878562 1210802520 /nfs/dbraw/zinc/80/25/20/1210802520.db2.gz AHUHLYCEESQPOU-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884891828 1210803155 /nfs/dbraw/zinc/80/31/55/1210803155.db2.gz OISZQCPCURFZIH-NXHRZFHOSA-N 2 1 360.502 0.861 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000884972478 1210805991 /nfs/dbraw/zinc/80/59/91/1210805991.db2.gz PWJSKDWTKIJKMZ-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000884972478 1210805993 /nfs/dbraw/zinc/80/59/93/1210805993.db2.gz PWJSKDWTKIJKMZ-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983406 1210806885 /nfs/dbraw/zinc/80/68/85/1210806885.db2.gz QWIDVRPBSZTWOL-ROUUACIJSA-N 2 1 358.486 0.753 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)c1 ZINC000885017730 1210808675 /nfs/dbraw/zinc/80/86/75/1210808675.db2.gz CZZZAIPHUJFZMK-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)c1 ZINC000885017730 1210808676 /nfs/dbraw/zinc/80/86/76/1210808676.db2.gz CZZZAIPHUJFZMK-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)ccn2)CC1 ZINC000885865719 1210820500 /nfs/dbraw/zinc/82/05/00/1210820500.db2.gz LOENBVSTOJKKSV-GOSISDBHSA-N 2 1 373.501 0.817 20 0 FCADMP C[C@@H](c1nnnn1C)N(C)[C@H]1CC[C@H]([N@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389236 1210828894 /nfs/dbraw/zinc/82/88/94/1210828894.db2.gz ABXNDWXSCQTHOE-XUXIUFHCSA-N 2 1 362.486 0.731 20 0 FCADMP C[C@@H](c1nnnn1C)N(C)[C@H]1CC[C@H]([N@@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389236 1210828896 /nfs/dbraw/zinc/82/88/96/1210828896.db2.gz ABXNDWXSCQTHOE-XUXIUFHCSA-N 2 1 362.486 0.731 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+](C)[C@H]1CC[C@H]([N@@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389236 1210828897 /nfs/dbraw/zinc/82/88/97/1210828897.db2.gz ABXNDWXSCQTHOE-XUXIUFHCSA-N 2 1 362.486 0.731 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389236 1210828898 /nfs/dbraw/zinc/82/88/98/1210828898.db2.gz ABXNDWXSCQTHOE-XUXIUFHCSA-N 2 1 362.486 0.731 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000886872106 1210838196 /nfs/dbraw/zinc/83/81/96/1210838196.db2.gz JHJIJKUGJZKZOS-IBGZPJMESA-N 2 1 374.489 0.289 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)[C@@H]1C)[NH+](C)C ZINC001691724833 1210849166 /nfs/dbraw/zinc/84/91/66/1210849166.db2.gz VEKCSAUJYJWANJ-ILXRZTDVSA-N 2 1 365.526 0.890 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)[C@@H]1C)[NH+](C)C ZINC001691724833 1210849169 /nfs/dbraw/zinc/84/91/69/1210849169.db2.gz VEKCSAUJYJWANJ-ILXRZTDVSA-N 2 1 365.526 0.890 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887448896 1210858464 /nfs/dbraw/zinc/85/84/64/1210858464.db2.gz JEBLXPLAZYVJLE-HKUYNNGSSA-N 2 1 358.490 0.694 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274178374 1210905383 /nfs/dbraw/zinc/90/53/83/1210905383.db2.gz AUANMMICUTVIBZ-APMMTJHUSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001274194113 1210907546 /nfs/dbraw/zinc/90/75/46/1210907546.db2.gz BOSVGXDSZSELPO-RZQQEMMASA-N 2 1 362.518 0.777 20 0 FCADMP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001274202210 1210910030 /nfs/dbraw/zinc/91/00/30/1210910030.db2.gz BIJKHCRCNHRTFN-UHFFFAOYSA-N 2 1 369.506 0.378 20 0 FCADMP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001274202210 1210910033 /nfs/dbraw/zinc/91/00/33/1210910033.db2.gz BIJKHCRCNHRTFN-UHFFFAOYSA-N 2 1 369.506 0.378 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933348 1210921642 /nfs/dbraw/zinc/92/16/42/1210921642.db2.gz NHTDFPXQCRWVHH-MIALQEHNSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933348 1210921645 /nfs/dbraw/zinc/92/16/45/1210921645.db2.gz NHTDFPXQCRWVHH-MIALQEHNSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933348 1210921651 /nfs/dbraw/zinc/92/16/51/1210921651.db2.gz NHTDFPXQCRWVHH-MIALQEHNSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000889805655 1210954499 /nfs/dbraw/zinc/95/44/99/1210954499.db2.gz QVYVZHLHXOMPLF-QAPCUYQASA-N 2 1 373.501 0.976 20 0 FCADMP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000889909618 1210956340 /nfs/dbraw/zinc/95/63/40/1210956340.db2.gz BXAAHKHSTTZHMC-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000890129780 1210965497 /nfs/dbraw/zinc/96/54/97/1210965497.db2.gz DGFNBTKNDWEVDT-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000890129780 1210965501 /nfs/dbraw/zinc/96/55/01/1210965501.db2.gz DGFNBTKNDWEVDT-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000890129780 1210965503 /nfs/dbraw/zinc/96/55/03/1210965503.db2.gz DGFNBTKNDWEVDT-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890137334 1210968308 /nfs/dbraw/zinc/96/83/08/1210968308.db2.gz CMCLZKSIOHJUIW-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP CC[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890137334 1210968313 /nfs/dbraw/zinc/96/83/13/1210968313.db2.gz CMCLZKSIOHJUIW-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP CC[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890137334 1210968316 /nfs/dbraw/zinc/96/83/16/1210968316.db2.gz CMCLZKSIOHJUIW-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890141677 1210969232 /nfs/dbraw/zinc/96/92/32/1210969232.db2.gz ODCPTRHFRZQPAE-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831382 1210987020 /nfs/dbraw/zinc/98/70/20/1210987020.db2.gz XPDOFFXUHTWYSH-COXLTSFISA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831382 1210987022 /nfs/dbraw/zinc/98/70/22/1210987022.db2.gz XPDOFFXUHTWYSH-COXLTSFISA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831382 1210987025 /nfs/dbraw/zinc/98/70/25/1210987025.db2.gz XPDOFFXUHTWYSH-COXLTSFISA-N 2 1 363.502 0.998 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2ccnc2)CC1 ZINC001274369174 1211038477 /nfs/dbraw/zinc/03/84/77/1211038477.db2.gz CYNAHWSONURQPR-HDICACEKSA-N 2 1 360.506 0.196 20 0 FCADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1COCCN1Cc1ccccc1 ZINC001274693729 1211103284 /nfs/dbraw/zinc/10/32/84/1211103284.db2.gz DKUCPLISDLBDFV-QRVBRYPASA-N 2 1 359.470 0.819 20 0 FCADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1COCCN1Cc1ccccc1 ZINC001274693729 1211103291 /nfs/dbraw/zinc/10/32/91/1211103291.db2.gz DKUCPLISDLBDFV-QRVBRYPASA-N 2 1 359.470 0.819 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274909583 1211142575 /nfs/dbraw/zinc/14/25/75/1211142575.db2.gz ZFWFHLPVNVOTNN-JENIJYKNSA-N 2 1 361.490 0.679 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274909583 1211142577 /nfs/dbraw/zinc/14/25/77/1211142577.db2.gz ZFWFHLPVNVOTNN-JENIJYKNSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274909583 1211142578 /nfs/dbraw/zinc/14/25/78/1211142578.db2.gz ZFWFHLPVNVOTNN-JENIJYKNSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274909583 1211142580 /nfs/dbraw/zinc/14/25/80/1211142580.db2.gz ZFWFHLPVNVOTNN-JENIJYKNSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC001275156523 1211183427 /nfs/dbraw/zinc/18/34/27/1211183427.db2.gz ZBNOXASSKFMXAN-OTWHNJEPSA-N 2 1 360.502 0.326 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1 ZINC001275156523 1211183430 /nfs/dbraw/zinc/18/34/30/1211183430.db2.gz ZBNOXASSKFMXAN-OTWHNJEPSA-N 2 1 360.502 0.326 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171065 1211188115 /nfs/dbraw/zinc/18/81/15/1211188115.db2.gz CRXOOPGUDKJSQX-ICSRJNTNSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275171065 1211188119 /nfs/dbraw/zinc/18/81/19/1211188119.db2.gz CRXOOPGUDKJSQX-ICSRJNTNSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275171065 1211188122 /nfs/dbraw/zinc/18/81/22/1211188122.db2.gz CRXOOPGUDKJSQX-ICSRJNTNSA-N 2 1 364.534 0.868 20 0 FCADMP CCc1nc(C)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)[nH]1 ZINC001275183506 1211193036 /nfs/dbraw/zinc/19/30/36/1211193036.db2.gz UTEASABVCPCCRT-IBGZPJMESA-N 2 1 363.506 0.893 20 0 FCADMP CCc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)[nH]1 ZINC001275183506 1211193038 /nfs/dbraw/zinc/19/30/38/1211193038.db2.gz UTEASABVCPCCRT-IBGZPJMESA-N 2 1 363.506 0.893 20 0 FCADMP COc1ncc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275366745 1211224356 /nfs/dbraw/zinc/22/43/56/1211224356.db2.gz XZTOJWOFWJOTOM-SFHVURJKSA-N 2 1 361.446 0.388 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CCN(Cc3[nH+]cc4ccccn43)C2)OCC1=O ZINC001275442268 1211238390 /nfs/dbraw/zinc/23/83/90/1211238390.db2.gz DKMJTRSQWPNSBR-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP Nc1ccncc1C[N@H+]1CCCC[C@]12CC(=O)N(C[C@H]1CCC(=O)N1)C2 ZINC001275456236 1211242601 /nfs/dbraw/zinc/24/26/01/1211242601.db2.gz XGVIMTXXFJZOOW-DNVCBOLYSA-N 2 1 357.458 0.730 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@]12CC(=O)N(C[C@H]1CCC(=O)N1)C2 ZINC001275456236 1211242607 /nfs/dbraw/zinc/24/26/07/1211242607.db2.gz XGVIMTXXFJZOOW-DNVCBOLYSA-N 2 1 357.458 0.730 20 0 FCADMP COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275500844 1211251341 /nfs/dbraw/zinc/25/13/41/1211251341.db2.gz SJYBQXAZLWXXCN-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275500844 1211251344 /nfs/dbraw/zinc/25/13/44/1211251344.db2.gz SJYBQXAZLWXXCN-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COC(CN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2)OC ZINC001275508479 1211251893 /nfs/dbraw/zinc/25/18/93/1211251893.db2.gz UMOLRRCZDUMKEU-IBGZPJMESA-N 2 1 371.522 0.744 20 0 FCADMP COC(CN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OC ZINC001275508479 1211251895 /nfs/dbraw/zinc/25/18/95/1211251895.db2.gz UMOLRRCZDUMKEU-IBGZPJMESA-N 2 1 371.522 0.744 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275556403 1211256504 /nfs/dbraw/zinc/25/65/04/1211256504.db2.gz KESUOJDOBOYTKY-LJQANCHMSA-N 2 1 359.474 0.622 20 0 FCADMP CCN(CC)C(=O)CN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275557504 1211257487 /nfs/dbraw/zinc/25/74/87/1211257487.db2.gz YUYJLHQCBCFNAC-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP CC1(C)OC[C@@H](CN2C[C@@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275736070 1211278481 /nfs/dbraw/zinc/27/84/81/1211278481.db2.gz AAHLPYBZJUGDIQ-APWZRJJASA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275737819 1211279467 /nfs/dbraw/zinc/27/94/67/1211279467.db2.gz OROBBGAUTBTLTA-HNAYVOBHSA-N 2 1 367.490 0.346 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001275743741 1211280331 /nfs/dbraw/zinc/28/03/31/1211280331.db2.gz WKVUPKRMMZWNDF-HXUWFJFHSA-N 3 1 366.550 0.831 20 0 FCADMP C[NH+]1CCC(CC[NH+]2CC3(C2)COCC(=O)N3Cc2ncccn2)CC1 ZINC001275743034 1211280419 /nfs/dbraw/zinc/28/04/19/1211280419.db2.gz KLHFSJIYGZFKSR-UHFFFAOYSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750729 1211280675 /nfs/dbraw/zinc/28/06/75/1211280675.db2.gz PLXZNERLXDLOKD-FXAWDEMLSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789678 1211283829 /nfs/dbraw/zinc/28/38/29/1211283829.db2.gz JGAAGCDUKGUDQF-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789678 1211283830 /nfs/dbraw/zinc/28/38/30/1211283830.db2.gz JGAAGCDUKGUDQF-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789678 1211283831 /nfs/dbraw/zinc/28/38/31/1211283831.db2.gz JGAAGCDUKGUDQF-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275800888 1211285491 /nfs/dbraw/zinc/28/54/91/1211285491.db2.gz JJIOPKFEDRSEGK-IEBWSBKVSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275800888 1211285495 /nfs/dbraw/zinc/28/54/95/1211285495.db2.gz JJIOPKFEDRSEGK-IEBWSBKVSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275800888 1211285499 /nfs/dbraw/zinc/28/54/99/1211285499.db2.gz JJIOPKFEDRSEGK-IEBWSBKVSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275800888 1211285501 /nfs/dbraw/zinc/28/55/01/1211285501.db2.gz JJIOPKFEDRSEGK-IEBWSBKVSA-N 2 1 361.490 0.264 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803946 1211286588 /nfs/dbraw/zinc/28/65/88/1211286588.db2.gz NXCIHFHXURRZBT-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803946 1211286591 /nfs/dbraw/zinc/28/65/91/1211286591.db2.gz NXCIHFHXURRZBT-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803946 1211286595 /nfs/dbraw/zinc/28/65/95/1211286595.db2.gz NXCIHFHXURRZBT-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833821 1211294104 /nfs/dbraw/zinc/29/41/04/1211294104.db2.gz QKMCRAPJSKNBIK-JXFKEZNVSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCN(C[C@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878361 1211303667 /nfs/dbraw/zinc/30/36/67/1211303667.db2.gz KHPRBZSKTAHLQX-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3Cc2nc(C)no2)CC1 ZINC001275879894 1211304542 /nfs/dbraw/zinc/30/45/42/1211304542.db2.gz RASRSWDZTJVIJV-UHFFFAOYSA-N 2 1 363.462 0.523 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894962 1211307718 /nfs/dbraw/zinc/30/77/18/1211307718.db2.gz COFGCGBREAJYTA-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894962 1211307721 /nfs/dbraw/zinc/30/77/21/1211307721.db2.gz COFGCGBREAJYTA-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894962 1211307724 /nfs/dbraw/zinc/30/77/24/1211307724.db2.gz COFGCGBREAJYTA-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4ncccc34)C2)OCC1=O ZINC001275932341 1211312062 /nfs/dbraw/zinc/31/20/62/1211312062.db2.gz CZZPDIQZLSHIBZ-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001276185828 1211376517 /nfs/dbraw/zinc/37/65/17/1211376517.db2.gz OLAUBAJXLSHENM-QGZVFWFLSA-N 2 1 360.502 0.627 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095498820 1211377870 /nfs/dbraw/zinc/37/78/70/1211377870.db2.gz FVTSWKYXWCDVOB-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095498820 1211377871 /nfs/dbraw/zinc/37/78/71/1211377871.db2.gz FVTSWKYXWCDVOB-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001095498820 1211377873 /nfs/dbraw/zinc/37/78/73/1211377873.db2.gz FVTSWKYXWCDVOB-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001095498820 1211377875 /nfs/dbraw/zinc/37/78/75/1211377875.db2.gz FVTSWKYXWCDVOB-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CCC1=O ZINC001095625674 1211429285 /nfs/dbraw/zinc/42/92/85/1211429285.db2.gz BLHBDSGSPVKBMP-FXUDXRNXSA-N 2 1 362.474 0.341 20 0 FCADMP O=C1CCc2cc(OC[C@H](O)C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)ccc2N1 ZINC000925565512 1211502575 /nfs/dbraw/zinc/50/25/75/1211502575.db2.gz SWKVVIHNNCIGRS-WWTTUOMBSA-N 2 1 357.454 0.897 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC000926142998 1211517816 /nfs/dbraw/zinc/51/78/16/1211517816.db2.gz MIKBSILUEBSNEG-NWGLXNPWSA-N 2 1 363.506 0.654 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926349328 1211537427 /nfs/dbraw/zinc/53/74/27/1211537427.db2.gz VSHHDDHHAICEAR-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927632160 1211576444 /nfs/dbraw/zinc/57/64/44/1211576444.db2.gz XEBJXVKKBZJCSU-HOCLYGCPSA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635932 1211577538 /nfs/dbraw/zinc/57/75/38/1211577538.db2.gz BWQZGUJZXZSJOZ-WBVHZDCISA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635932 1211577541 /nfs/dbraw/zinc/57/75/41/1211577541.db2.gz BWQZGUJZXZSJOZ-WBVHZDCISA-N 2 1 368.522 0.726 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000927883249 1211590061 /nfs/dbraw/zinc/59/00/61/1211590061.db2.gz OYDNNJTYHTUKOY-INIZCTEOSA-N 2 1 373.501 0.964 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2C)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000928563961 1211605050 /nfs/dbraw/zinc/60/50/50/1211605050.db2.gz RTYNUUPUJKQCMC-HNNXBMFYSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000928563961 1211605051 /nfs/dbraw/zinc/60/50/51/1211605051.db2.gz RTYNUUPUJKQCMC-HNNXBMFYSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2CC[NH+]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000928563961 1211605052 /nfs/dbraw/zinc/60/50/52/1211605052.db2.gz RTYNUUPUJKQCMC-HNNXBMFYSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2CC[NH+]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000928563961 1211605053 /nfs/dbraw/zinc/60/50/53/1211605053.db2.gz RTYNUUPUJKQCMC-HNNXBMFYSA-N 2 1 354.458 0.998 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000928559679 1211605175 /nfs/dbraw/zinc/60/51/75/1211605175.db2.gz MEWXWKWBKWOTRG-ROUUACIJSA-N 2 1 358.486 0.412 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221356754 1225302500 /nfs/dbraw/zinc/30/25/00/1225302500.db2.gz CYHOJOXQTAARFA-JYJNAYRXSA-N 2 1 370.538 0.728 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000929976081 1211676960 /nfs/dbraw/zinc/67/69/60/1211676960.db2.gz YFSMZFJXCHAXFC-MRXNPFEDSA-N 2 1 362.474 0.454 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000929976081 1211676962 /nfs/dbraw/zinc/67/69/62/1211676962.db2.gz YFSMZFJXCHAXFC-MRXNPFEDSA-N 2 1 362.474 0.454 20 0 FCADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404059 1225307595 /nfs/dbraw/zinc/30/75/95/1225307595.db2.gz GISHEMDJIOKWEG-DLBZAZTESA-N 3 1 362.474 0.264 20 0 FCADMP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404059 1225307596 /nfs/dbraw/zinc/30/75/96/1225307596.db2.gz GISHEMDJIOKWEG-DLBZAZTESA-N 2 1 362.474 0.264 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000930400994 1211706618 /nfs/dbraw/zinc/70/66/18/1211706618.db2.gz ZKCXDAIWRGHRKA-PBHICJAKSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000930400994 1211706620 /nfs/dbraw/zinc/70/66/20/1211706620.db2.gz ZKCXDAIWRGHRKA-PBHICJAKSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931103107 1211740209 /nfs/dbraw/zinc/74/02/09/1211740209.db2.gz BJUKQTHRDZOELN-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931103107 1211740213 /nfs/dbraw/zinc/74/02/13/1211740213.db2.gz BJUKQTHRDZOELN-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931103107 1211740215 /nfs/dbraw/zinc/74/02/15/1211740215.db2.gz BJUKQTHRDZOELN-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931103107 1211740220 /nfs/dbraw/zinc/74/02/20/1211740220.db2.gz BJUKQTHRDZOELN-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931433180 1211756016 /nfs/dbraw/zinc/75/60/16/1211756016.db2.gz RQTXJYRNWYQCJM-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931433180 1211756018 /nfs/dbraw/zinc/75/60/18/1211756018.db2.gz RQTXJYRNWYQCJM-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000931433180 1211756021 /nfs/dbraw/zinc/75/60/21/1211756021.db2.gz RQTXJYRNWYQCJM-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000931433180 1211756023 /nfs/dbraw/zinc/75/60/23/1211756023.db2.gz RQTXJYRNWYQCJM-ZWKOTPCHSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+]1CC[C@@H]2C[NH+](CC3(CN4C[C@@H]5CC[N@H+](C)C[C@@H]5C4)COC3)C[C@@H]2C1 ZINC000931436652 1211756334 /nfs/dbraw/zinc/75/63/34/1211756334.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+]1CC[C@H]2CN(CC3(C[N@@H+]4C[C@H]5CC[NH+](C)C[C@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756338 /nfs/dbraw/zinc/75/63/38/1211756338.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+]1CC[C@H]2CN(CC3(C[N@H+]4C[C@H]5CC[NH+](C)C[C@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756345 /nfs/dbraw/zinc/75/63/45/1211756345.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+]1CC[C@H]2C[NH+](CC3(CN4C[C@@H]5C[N@H+](C)CC[C@@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756348 /nfs/dbraw/zinc/75/63/48/1211756348.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+]1CC[C@H]2C[NH+](CC3(CN4C[C@@H]5C[N@@H+](C)CC[C@@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756351 /nfs/dbraw/zinc/75/63/51/1211756351.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(CN4C[C@@H]5C[NH+](C)CC[C@@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756353 /nfs/dbraw/zinc/75/63/53/1211756353.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+]1CC[C@H]2C[N@H+](CC3(CN4C[C@@H]5C[NH+](C)CC[C@@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756356 /nfs/dbraw/zinc/75/63/56/1211756356.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 3 1 362.562 0.770 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000931567342 1211761243 /nfs/dbraw/zinc/76/12/43/1211761243.db2.gz QKVZKNDKVDLGJC-INIZCTEOSA-N 2 1 363.510 0.688 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000931875481 1211776058 /nfs/dbraw/zinc/77/60/58/1211776058.db2.gz PUYYCLHQVUMPBH-SFHVURJKSA-N 2 1 373.501 0.367 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000931875481 1211776061 /nfs/dbraw/zinc/77/60/61/1211776061.db2.gz PUYYCLHQVUMPBH-SFHVURJKSA-N 2 1 373.501 0.367 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931883557 1211779460 /nfs/dbraw/zinc/77/94/60/1211779460.db2.gz PBRLQSFVHOLNIH-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931883557 1211779466 /nfs/dbraw/zinc/77/94/66/1211779466.db2.gz PBRLQSFVHOLNIH-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883557 1211779471 /nfs/dbraw/zinc/77/94/71/1211779471.db2.gz PBRLQSFVHOLNIH-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883557 1211779474 /nfs/dbraw/zinc/77/94/74/1211779474.db2.gz PBRLQSFVHOLNIH-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000933843662 1211849097 /nfs/dbraw/zinc/84/90/97/1211849097.db2.gz AFZZCHXAZBDPOO-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933853452 1211849449 /nfs/dbraw/zinc/84/94/49/1211849449.db2.gz MPYOYSHEEMUEFT-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933853452 1211849452 /nfs/dbraw/zinc/84/94/52/1211849452.db2.gz MPYOYSHEEMUEFT-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933853452 1211849454 /nfs/dbraw/zinc/84/94/54/1211849454.db2.gz MPYOYSHEEMUEFT-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933853452 1211849455 /nfs/dbraw/zinc/84/94/55/1211849455.db2.gz MPYOYSHEEMUEFT-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001111197406 1211923372 /nfs/dbraw/zinc/92/33/72/1211923372.db2.gz XCEWVLCJLYUMBI-MXASKKJJSA-N 2 1 364.490 0.049 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001111197406 1211923375 /nfs/dbraw/zinc/92/33/75/1211923375.db2.gz XCEWVLCJLYUMBI-MXASKKJJSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC000968864449 1212158060 /nfs/dbraw/zinc/15/80/60/1212158060.db2.gz WZYIADRJESLDIK-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC000968864449 1212158063 /nfs/dbraw/zinc/15/80/63/1212158063.db2.gz WZYIADRJESLDIK-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC000968864449 1212158068 /nfs/dbraw/zinc/15/80/68/1212158068.db2.gz WZYIADRJESLDIK-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CCC1 ZINC000968867896 1212159923 /nfs/dbraw/zinc/15/99/23/1212159923.db2.gz JJRVJUQYDCLBNO-SJORKVTESA-N 2 1 371.441 0.120 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274910 1212193752 /nfs/dbraw/zinc/19/37/52/1212193752.db2.gz MYKPYZIPDSTEDF-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274910 1212193758 /nfs/dbraw/zinc/19/37/58/1212193758.db2.gz MYKPYZIPDSTEDF-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274910 1212193762 /nfs/dbraw/zinc/19/37/62/1212193762.db2.gz MYKPYZIPDSTEDF-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274910 1212193769 /nfs/dbraw/zinc/19/37/69/1212193769.db2.gz MYKPYZIPDSTEDF-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001111281213 1212232514 /nfs/dbraw/zinc/23/25/14/1212232514.db2.gz JEVNIZPBUCPPDJ-TVFCKZIOSA-N 2 1 369.506 0.482 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281485 1212233424 /nfs/dbraw/zinc/23/34/24/1212233424.db2.gz UVLDGFFLIRSKIL-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281485 1212233426 /nfs/dbraw/zinc/23/34/26/1212233426.db2.gz UVLDGFFLIRSKIL-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969028030 1212234330 /nfs/dbraw/zinc/23/43/30/1212234330.db2.gz OXURZEMMVQMQNE-BZUAXINKSA-N 2 1 361.490 0.973 20 0 FCADMP CN(C)C(=O)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969028030 1212234335 /nfs/dbraw/zinc/23/43/35/1212234335.db2.gz OXURZEMMVQMQNE-BZUAXINKSA-N 2 1 361.490 0.973 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281613 1212234311 /nfs/dbraw/zinc/23/43/11/1212234311.db2.gz ZZFDPSCEPOQTJY-HZMVEIRTSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281613 1212234312 /nfs/dbraw/zinc/23/43/12/1212234312.db2.gz ZZFDPSCEPOQTJY-HZMVEIRTSA-N 2 1 368.522 0.541 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)CC[N@@H+]1C ZINC000949216019 1212328305 /nfs/dbraw/zinc/32/83/05/1212328305.db2.gz ICJHYSIRVPPELE-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)CC[N@H+]1C ZINC000949216019 1212328309 /nfs/dbraw/zinc/32/83/09/1212328309.db2.gz ICJHYSIRVPPELE-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CO[C@H](C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394912 1212370697 /nfs/dbraw/zinc/37/06/97/1212370697.db2.gz JHYDUAWUJIFJAZ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@H](C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394912 1212370698 /nfs/dbraw/zinc/37/06/98/1212370698.db2.gz JHYDUAWUJIFJAZ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@H](C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394912 1212370706 /nfs/dbraw/zinc/37/07/06/1212370706.db2.gz JHYDUAWUJIFJAZ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@H](C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394912 1212370712 /nfs/dbraw/zinc/37/07/12/1212370712.db2.gz JHYDUAWUJIFJAZ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559721 1225367346 /nfs/dbraw/zinc/36/73/46/1225367346.db2.gz NAYJDJZNDMNOPZ-LZLYRXPVSA-N 2 1 363.506 0.752 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662494 1212480892 /nfs/dbraw/zinc/48/08/92/1212480892.db2.gz CPEGFIZZSCNTDR-CGTJXYLNSA-N 2 1 366.506 0.650 20 0 FCADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000779367337 1212531203 /nfs/dbraw/zinc/53/12/03/1212531203.db2.gz FTTWLOFGAQUJKW-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000779367337 1212531208 /nfs/dbraw/zinc/53/12/08/1212531208.db2.gz FTTWLOFGAQUJKW-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221587997 1225382242 /nfs/dbraw/zinc/38/22/42/1225382242.db2.gz PNRPUKRAGZEQDP-IXDOHACOSA-N 2 1 368.497 0.725 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221587997 1225382250 /nfs/dbraw/zinc/38/22/50/1225382250.db2.gz PNRPUKRAGZEQDP-IXDOHACOSA-N 2 1 368.497 0.725 20 0 FCADMP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001007946875 1212604805 /nfs/dbraw/zinc/60/48/05/1212604805.db2.gz RJSPBXVOGPZVGJ-VCBZYWHSSA-N 2 1 359.474 0.710 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008210340 1212661430 /nfs/dbraw/zinc/66/14/30/1212661430.db2.gz WURBDQUXONGABE-FVQBIDKESA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008210340 1212661431 /nfs/dbraw/zinc/66/14/31/1212661431.db2.gz WURBDQUXONGABE-FVQBIDKESA-N 2 1 361.490 0.885 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615445 1225399080 /nfs/dbraw/zinc/39/90/80/1225399080.db2.gz JCFVRLGMGTUTDI-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615445 1225399085 /nfs/dbraw/zinc/39/90/85/1225399085.db2.gz JCFVRLGMGTUTDI-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615445 1225399089 /nfs/dbraw/zinc/39/90/89/1225399089.db2.gz JCFVRLGMGTUTDI-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615445 1225399092 /nfs/dbraw/zinc/39/90/92/1225399092.db2.gz JCFVRLGMGTUTDI-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111407960 1212992925 /nfs/dbraw/zinc/99/29/25/1212992925.db2.gz BVPHLXMWPYNOMB-ZACQAIPSSA-N 2 1 363.462 0.066 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111407960 1212992928 /nfs/dbraw/zinc/99/29/28/1212992928.db2.gz BVPHLXMWPYNOMB-ZACQAIPSSA-N 2 1 363.462 0.066 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@H+]1C ZINC000953172003 1213000568 /nfs/dbraw/zinc/00/05/68/1213000568.db2.gz HJIOQMGTPBHWPB-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000954047991 1213035771 /nfs/dbraw/zinc/03/57/71/1213035771.db2.gz YONSCWUXBBZDFT-FVQBIDKESA-N 2 1 359.474 0.914 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410822 1213070460 /nfs/dbraw/zinc/07/04/60/1213070460.db2.gz ZYERTLJIXAHNKN-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954410822 1213070461 /nfs/dbraw/zinc/07/04/61/1213070461.db2.gz ZYERTLJIXAHNKN-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954410822 1213070467 /nfs/dbraw/zinc/07/04/67/1213070467.db2.gz ZYERTLJIXAHNKN-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3occc3C[NH+](C)C)C2)CC[N@H+]1C ZINC000955135875 1213134541 /nfs/dbraw/zinc/13/45/41/1213134541.db2.gz GLRLXTDKQSWIJG-CZUORRHYSA-N 2 1 362.474 0.964 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000956377566 1213188601 /nfs/dbraw/zinc/18/86/01/1213188601.db2.gz APOLORVAZXAZQO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000956377566 1213188603 /nfs/dbraw/zinc/18/86/03/1213188603.db2.gz APOLORVAZXAZQO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000956377566 1213188604 /nfs/dbraw/zinc/18/86/04/1213188604.db2.gz APOLORVAZXAZQO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000956377566 1213188605 /nfs/dbraw/zinc/18/86/05/1213188605.db2.gz APOLORVAZXAZQO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000956377566 1213188606 /nfs/dbraw/zinc/18/86/06/1213188606.db2.gz APOLORVAZXAZQO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000956386312 1213189474 /nfs/dbraw/zinc/18/94/74/1213189474.db2.gz ASUOYIHLCHXNAD-HZPDHXFCSA-N 2 1 362.518 0.920 20 0 FCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000641802079 1213215907 /nfs/dbraw/zinc/21/59/07/1213215907.db2.gz HSFJXYSRAIGCRM-ROUUACIJSA-N 2 1 360.502 0.850 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CCc3cncn3C)C2)CC[N@H+]1C ZINC000957012417 1213230654 /nfs/dbraw/zinc/23/06/54/1213230654.db2.gz HCEOCQIMOQHKER-OGWOLHLISA-N 2 1 361.490 0.800 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001221682635 1225439347 /nfs/dbraw/zinc/43/93/47/1225439347.db2.gz FQYVTROIYROWIL-QGPMSJSTSA-N 2 1 371.441 0.421 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC000958029227 1213376149 /nfs/dbraw/zinc/37/61/49/1213376149.db2.gz MHRJHTDWKCIOBY-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC000958029227 1213376150 /nfs/dbraw/zinc/37/61/50/1213376150.db2.gz MHRJHTDWKCIOBY-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@H]1CN(C(=O)CN(C)CCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000796277512 1213402182 /nfs/dbraw/zinc/40/21/82/1213402182.db2.gz ZSFVKZYLOVGLCY-IBGZPJMESA-N 2 1 374.529 0.983 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701517 1225448055 /nfs/dbraw/zinc/44/80/55/1225448055.db2.gz SGMVTUWIECPIBE-SYJBPTKTSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701517 1225448059 /nfs/dbraw/zinc/44/80/59/1225448059.db2.gz SGMVTUWIECPIBE-SYJBPTKTSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701517 1225448063 /nfs/dbraw/zinc/44/80/63/1225448063.db2.gz SGMVTUWIECPIBE-SYJBPTKTSA-N 2 1 363.502 0.809 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001067081212 1213973509 /nfs/dbraw/zinc/97/35/09/1213973509.db2.gz JHHTXIXQNOLEEF-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001067081212 1213973510 /nfs/dbraw/zinc/97/35/10/1213973510.db2.gz JHHTXIXQNOLEEF-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001067081212 1213973513 /nfs/dbraw/zinc/97/35/13/1213973513.db2.gz JHHTXIXQNOLEEF-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001067081212 1213973518 /nfs/dbraw/zinc/97/35/18/1213973518.db2.gz JHHTXIXQNOLEEF-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC001016633771 1214025106 /nfs/dbraw/zinc/02/51/06/1214025106.db2.gz XTXKNRBKPYRETL-BZUAXINKSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ccnn3C)C2)O1 ZINC001017151003 1214077287 /nfs/dbraw/zinc/07/72/87/1214077287.db2.gz CFXRJQUPMNBLIA-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ccnn3C)C2)O1 ZINC001017151003 1214077292 /nfs/dbraw/zinc/07/72/92/1214077292.db2.gz CFXRJQUPMNBLIA-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccnn3C)C2)O1 ZINC001017151003 1214077295 /nfs/dbraw/zinc/07/72/95/1214077295.db2.gz CFXRJQUPMNBLIA-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccnn3C)C2)O1 ZINC001017151003 1214077303 /nfs/dbraw/zinc/07/73/03/1214077303.db2.gz CFXRJQUPMNBLIA-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825634 1225505718 /nfs/dbraw/zinc/50/57/18/1225505718.db2.gz WIXQYOUETYDHCO-UYAOXDASSA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825634 1225505721 /nfs/dbraw/zinc/50/57/21/1225505721.db2.gz WIXQYOUETYDHCO-UYAOXDASSA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825634 1225505725 /nfs/dbraw/zinc/50/57/25/1225505725.db2.gz WIXQYOUETYDHCO-UYAOXDASSA-N 2 1 366.550 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C3)CC[N@H+]1C ZINC001019069560 1214189519 /nfs/dbraw/zinc/18/95/19/1214189519.db2.gz WOZKECYCFNOSIX-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C3)CC[NH+]1C ZINC001019069560 1214189521 /nfs/dbraw/zinc/18/95/21/1214189521.db2.gz WOZKECYCFNOSIX-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C3)CC[NH+]1C ZINC001019069560 1214189524 /nfs/dbraw/zinc/18/95/24/1214189524.db2.gz WOZKECYCFNOSIX-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221870676 1225514660 /nfs/dbraw/zinc/51/46/60/1225514660.db2.gz BNAPIVBSCAPXNR-QZTJIDSGSA-N 2 1 369.506 0.031 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221870676 1225514665 /nfs/dbraw/zinc/51/46/65/1225514665.db2.gz BNAPIVBSCAPXNR-QZTJIDSGSA-N 2 1 369.506 0.031 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1)[NH+](C)C ZINC000961668488 1214263547 /nfs/dbraw/zinc/26/35/47/1214263547.db2.gz FUSVFJXUOCTWHW-IGKNDFSCSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2)CC[N@H+]1C ZINC001020171204 1214316690 /nfs/dbraw/zinc/31/66/90/1214316690.db2.gz RTTRQNNVBQRADK-YFTGLANFSA-N 2 1 362.449 0.929 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221879782 1225520309 /nfs/dbraw/zinc/52/03/09/1225520309.db2.gz SJOJEZQABPKUID-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221879782 1225520313 /nfs/dbraw/zinc/52/03/13/1225520313.db2.gz SJOJEZQABPKUID-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001020365593 1214342495 /nfs/dbraw/zinc/34/24/95/1214342495.db2.gz CWFSLNIYCOFWMI-YQFWSFKMSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001020365593 1214342501 /nfs/dbraw/zinc/34/25/01/1214342501.db2.gz CWFSLNIYCOFWMI-YQFWSFKMSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc3c(c2)nnn3C)CC[N@@H+]1C ZINC001038265460 1214348916 /nfs/dbraw/zinc/34/89/16/1214348916.db2.gz JVDSRIDWNPYUEC-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc3c(c2)nnn3C)CC[N@H+]1C ZINC001038265460 1214348924 /nfs/dbraw/zinc/34/89/24/1214348924.db2.gz JVDSRIDWNPYUEC-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc3c(c2)nnn3C)CC[NH+]1C ZINC001038265460 1214348929 /nfs/dbraw/zinc/34/89/29/1214348929.db2.gz JVDSRIDWNPYUEC-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc3c(c2)nnn3C)CC[NH+]1C ZINC001038265460 1214348937 /nfs/dbraw/zinc/34/89/37/1214348937.db2.gz JVDSRIDWNPYUEC-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC000961929269 1214362210 /nfs/dbraw/zinc/36/22/10/1214362210.db2.gz XPWCDAKQKWUMNX-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CCn1nc(C)c(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961988256 1214393225 /nfs/dbraw/zinc/39/32/25/1214393225.db2.gz DZZMMSRGPMLNQQ-IGHZYHEGSA-N 2 1 364.494 0.310 20 0 FCADMP COc1nccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961990638 1214395416 /nfs/dbraw/zinc/39/54/16/1214395416.db2.gz NXCYMORHPXNPCB-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP COc1nccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961990638 1214395419 /nfs/dbraw/zinc/39/54/19/1214395419.db2.gz NXCYMORHPXNPCB-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001039595263 1214401984 /nfs/dbraw/zinc/40/19/84/1214401984.db2.gz IXJNGMYWCNMHSC-IBEHDNSVSA-N 2 1 362.474 0.197 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001039867290 1214451867 /nfs/dbraw/zinc/45/18/67/1214451867.db2.gz GLCROSUZXDOWSV-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001039867290 1214451874 /nfs/dbraw/zinc/45/18/74/1214451874.db2.gz GLCROSUZXDOWSV-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039867290 1214451879 /nfs/dbraw/zinc/45/18/79/1214451879.db2.gz GLCROSUZXDOWSV-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)O1 ZINC001040260818 1214489857 /nfs/dbraw/zinc/48/98/57/1214489857.db2.gz IXJAZXRUTKUFMG-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)O1 ZINC001040260818 1214489859 /nfs/dbraw/zinc/48/98/59/1214489859.db2.gz IXJAZXRUTKUFMG-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)N(C)C)C3)O1 ZINC001040260818 1214489863 /nfs/dbraw/zinc/48/98/63/1214489863.db2.gz IXJAZXRUTKUFMG-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)O1 ZINC001040260818 1214489868 /nfs/dbraw/zinc/48/98/68/1214489868.db2.gz IXJAZXRUTKUFMG-MDZRGWNJSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)O1 ZINC001040260815 1214489911 /nfs/dbraw/zinc/48/99/11/1214489911.db2.gz IXJAZXRUTKUFMG-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)O1 ZINC001040260815 1214489913 /nfs/dbraw/zinc/48/99/13/1214489913.db2.gz IXJAZXRUTKUFMG-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)N(C)C)C3)O1 ZINC001040260815 1214489918 /nfs/dbraw/zinc/48/99/18/1214489918.db2.gz IXJAZXRUTKUFMG-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)O1 ZINC001040260815 1214489924 /nfs/dbraw/zinc/48/99/24/1214489924.db2.gz IXJAZXRUTKUFMG-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949754 1225548625 /nfs/dbraw/zinc/54/86/25/1225548625.db2.gz GWWYGLKYARDQNN-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949754 1225548630 /nfs/dbraw/zinc/54/86/30/1225548630.db2.gz GWWYGLKYARDQNN-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949882 1225549327 /nfs/dbraw/zinc/54/93/27/1225549327.db2.gz LRTUCJOUSUFXDT-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949882 1225549330 /nfs/dbraw/zinc/54/93/30/1225549330.db2.gz LRTUCJOUSUFXDT-BRWVUGGUSA-N 2 1 362.518 0.870 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221968441 1225556846 /nfs/dbraw/zinc/55/68/46/1225556846.db2.gz OILQJGHYHWQPIS-HZPDHXFCSA-N 2 1 364.490 0.400 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221968441 1225556848 /nfs/dbraw/zinc/55/68/48/1225556848.db2.gz OILQJGHYHWQPIS-HZPDHXFCSA-N 2 1 364.490 0.400 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221968441 1225556853 /nfs/dbraw/zinc/55/68/53/1225556853.db2.gz OILQJGHYHWQPIS-HZPDHXFCSA-N 2 1 364.490 0.400 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnn(C)n3)CC2)O1 ZINC000963518907 1214817056 /nfs/dbraw/zinc/81/70/56/1214817056.db2.gz CDHSGFJREZYHTB-RKHAHWSXSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnn(C)n3)CC2)O1 ZINC000963518907 1214817057 /nfs/dbraw/zinc/81/70/57/1214817057.db2.gz CDHSGFJREZYHTB-RKHAHWSXSA-N 2 1 364.494 0.393 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000964214685 1214917081 /nfs/dbraw/zinc/91/70/81/1214917081.db2.gz XMHRMTUFFGSLKN-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000968017965 1215274366 /nfs/dbraw/zinc/27/43/66/1215274366.db2.gz NVFBOYHIEFOGHC-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000968017965 1215274369 /nfs/dbraw/zinc/27/43/69/1215274369.db2.gz NVFBOYHIEFOGHC-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000968017965 1215274372 /nfs/dbraw/zinc/27/43/72/1215274372.db2.gz NVFBOYHIEFOGHC-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000968017965 1215274376 /nfs/dbraw/zinc/27/43/76/1215274376.db2.gz NVFBOYHIEFOGHC-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000968014654 1215274533 /nfs/dbraw/zinc/27/45/33/1215274533.db2.gz ZCLQUJOJEFHOJP-DLBZAZTESA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968094441 1215284988 /nfs/dbraw/zinc/28/49/88/1215284988.db2.gz DHZCQIWZJBAGGU-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000968096472 1215285523 /nfs/dbraw/zinc/28/55/23/1215285523.db2.gz LIHUNFGZOOBHPR-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968096472 1215285526 /nfs/dbraw/zinc/28/55/26/1215285526.db2.gz LIHUNFGZOOBHPR-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000968096472 1215285528 /nfs/dbraw/zinc/28/55/28/1215285528.db2.gz LIHUNFGZOOBHPR-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000968096472 1215285530 /nfs/dbraw/zinc/28/55/30/1215285530.db2.gz LIHUNFGZOOBHPR-RHSMWYFYSA-N 2 1 366.506 0.249 20 0 FCADMP O=C1NCC[C@]12C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001222521781 1225631019 /nfs/dbraw/zinc/63/10/19/1225631019.db2.gz ZNGJBOMFSIILSX-FQEVSTJZSA-N 3 1 355.486 0.008 20 0 FCADMP O=C1NCC[C@]12CN(Cc1ccccc1N1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001222521781 1225631022 /nfs/dbraw/zinc/63/10/22/1225631022.db2.gz ZNGJBOMFSIILSX-FQEVSTJZSA-N 2 1 355.486 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001056083669 1215947100 /nfs/dbraw/zinc/94/71/00/1215947100.db2.gz VFHMCPGQTJLGBS-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)O1 ZINC001056716628 1215983279 /nfs/dbraw/zinc/98/32/79/1215983279.db2.gz ATFGDFFMROPWNC-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)O1 ZINC001056716628 1215983283 /nfs/dbraw/zinc/98/32/83/1215983283.db2.gz ATFGDFFMROPWNC-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693848 1225645421 /nfs/dbraw/zinc/64/54/21/1225645421.db2.gz DPNXUZCUNWLQDN-KURKYZTESA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001000486186 1216070920 /nfs/dbraw/zinc/07/09/20/1216070920.db2.gz SYMSKHQXIACLMG-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001000486186 1216070922 /nfs/dbraw/zinc/07/09/22/1216070922.db2.gz SYMSKHQXIACLMG-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835456 1216118468 /nfs/dbraw/zinc/11/84/68/1216118468.db2.gz BGWDEBXNXGTVEM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835456 1216118472 /nfs/dbraw/zinc/11/84/72/1216118472.db2.gz BGWDEBXNXGTVEM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835456 1216118475 /nfs/dbraw/zinc/11/84/75/1216118475.db2.gz BGWDEBXNXGTVEM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835456 1216118478 /nfs/dbraw/zinc/11/84/78/1216118478.db2.gz BGWDEBXNXGTVEM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001001178568 1216135042 /nfs/dbraw/zinc/13/50/42/1216135042.db2.gz FBXBCRYJDOPZEL-MSOLQXFVSA-N 2 1 356.470 0.565 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001001178568 1216135044 /nfs/dbraw/zinc/13/50/44/1216135044.db2.gz FBXBCRYJDOPZEL-MSOLQXFVSA-N 2 1 356.470 0.565 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001001178568 1216135046 /nfs/dbraw/zinc/13/50/46/1216135046.db2.gz FBXBCRYJDOPZEL-MSOLQXFVSA-N 2 1 356.470 0.565 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001001178568 1216135047 /nfs/dbraw/zinc/13/50/47/1216135047.db2.gz FBXBCRYJDOPZEL-MSOLQXFVSA-N 2 1 356.470 0.565 20 0 FCADMP CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001181800 1216135396 /nfs/dbraw/zinc/13/53/96/1216135396.db2.gz MSGYLPLEEABYAC-MOPGFXCFSA-N 2 1 370.497 0.826 20 0 FCADMP CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001181800 1216135397 /nfs/dbraw/zinc/13/53/97/1216135397.db2.gz MSGYLPLEEABYAC-MOPGFXCFSA-N 2 1 370.497 0.826 20 0 FCADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001181800 1216135399 /nfs/dbraw/zinc/13/53/99/1216135399.db2.gz MSGYLPLEEABYAC-MOPGFXCFSA-N 2 1 370.497 0.826 20 0 FCADMP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001181800 1216135401 /nfs/dbraw/zinc/13/54/01/1216135401.db2.gz MSGYLPLEEABYAC-MOPGFXCFSA-N 2 1 370.497 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCC2)CC3)CC[N@H+]1C ZINC001050523384 1216330078 /nfs/dbraw/zinc/33/00/78/1216330078.db2.gz BGKXSWRAEJEIRN-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccnc3C)C2)CC[N@H+]1C ZINC001051624401 1216468636 /nfs/dbraw/zinc/46/86/36/1216468636.db2.gz PKJWJRROWVXWCI-XYJFISCASA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(CC)nn3)C2)CC[N@@H+]1C ZINC001051623341 1216468686 /nfs/dbraw/zinc/46/86/86/1216468686.db2.gz FNXPHOSOOSLFHZ-YESZJQIVSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(CC)nn3)C2)CC[N@H+]1C ZINC001051623341 1216468692 /nfs/dbraw/zinc/46/86/92/1216468692.db2.gz FNXPHOSOOSLFHZ-YESZJQIVSA-N 2 1 364.494 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@@H+]1C ZINC001051624477 1216470026 /nfs/dbraw/zinc/47/00/26/1216470026.db2.gz QDVSBVLMHFAHCL-BPLDGKMQSA-N 2 1 362.478 0.339 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@H+]1C ZINC001051624477 1216470028 /nfs/dbraw/zinc/47/00/28/1216470028.db2.gz QDVSBVLMHFAHCL-BPLDGKMQSA-N 2 1 362.478 0.339 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(F)cc3)C2)O1 ZINC001051681208 1216474770 /nfs/dbraw/zinc/47/47/70/1216474770.db2.gz UJPDBVNKUYLKGT-ZTFGCOKTSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(F)cc3)C2)O1 ZINC001051681208 1216474774 /nfs/dbraw/zinc/47/47/74/1216474774.db2.gz UJPDBVNKUYLKGT-ZTFGCOKTSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC4CCC4)CC3)C2)O1 ZINC001052043236 1216491060 /nfs/dbraw/zinc/49/10/60/1216491060.db2.gz SDJKUWSSTLQQIW-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC4CCC4)CC3)C2)O1 ZINC001052043236 1216491063 /nfs/dbraw/zinc/49/10/63/1216491063.db2.gz SDJKUWSSTLQQIW-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)C[C@@H]21 ZINC001223039346 1225674908 /nfs/dbraw/zinc/67/49/08/1225674908.db2.gz HBQLLMFWVWNHQV-CPUCHLNUSA-N 2 1 366.462 0.280 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001052393371 1216546445 /nfs/dbraw/zinc/54/64/45/1216546445.db2.gz IOHJJSQPUAMGCV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC001052393371 1216546448 /nfs/dbraw/zinc/54/64/48/1216546448.db2.gz IOHJJSQPUAMGCV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC001052393371 1216546451 /nfs/dbraw/zinc/54/64/51/1216546451.db2.gz IOHJJSQPUAMGCV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1=O ZINC000827320074 1216586219 /nfs/dbraw/zinc/58/62/19/1216586219.db2.gz QQSSZOKDTIMXLN-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1=O ZINC000827320074 1216586226 /nfs/dbraw/zinc/58/62/26/1216586226.db2.gz QQSSZOKDTIMXLN-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC000827320074 1216586234 /nfs/dbraw/zinc/58/62/34/1216586234.db2.gz QQSSZOKDTIMXLN-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057854622 1216595449 /nfs/dbraw/zinc/59/54/49/1216595449.db2.gz OZYAPJILYTYDTD-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000827539818 1216628127 /nfs/dbraw/zinc/62/81/27/1216628127.db2.gz NFSUMWCXTSGGHB-HNNXBMFYSA-N 2 1 366.429 0.849 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C2CC2)[NH+](C)C)O1 ZINC001067637284 1216691333 /nfs/dbraw/zinc/69/13/33/1216691333.db2.gz HVSDVJYFEHKEKJ-OIISXLGYSA-N 2 1 368.522 0.353 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C2CC2)[NH+](C)C)O1 ZINC001067637284 1216691338 /nfs/dbraw/zinc/69/13/38/1216691338.db2.gz HVSDVJYFEHKEKJ-OIISXLGYSA-N 2 1 368.522 0.353 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)cc1 ZINC001098043574 1216699298 /nfs/dbraw/zinc/69/92/98/1216699298.db2.gz MGJPYTBOOLWJMZ-ZJPYXAASSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)cc1 ZINC001098043574 1216699305 /nfs/dbraw/zinc/69/93/05/1216699305.db2.gz MGJPYTBOOLWJMZ-ZJPYXAASSA-N 2 1 356.470 0.972 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068884802 1216764851 /nfs/dbraw/zinc/76/48/51/1216764851.db2.gz ILRYIFJZZRTRLN-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CCC[NH+](C)C)CO3)CC[N@H+]1C ZINC001068989509 1216772542 /nfs/dbraw/zinc/77/25/42/1216772542.db2.gz PTMBQEPWOLTFJM-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001069945563 1216858820 /nfs/dbraw/zinc/85/88/20/1216858820.db2.gz OZMUPBBGHTZNHF-IKGGRYGDSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001069945563 1216858821 /nfs/dbraw/zinc/85/88/21/1216858821.db2.gz OZMUPBBGHTZNHF-IKGGRYGDSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001069945563 1216858823 /nfs/dbraw/zinc/85/88/23/1216858823.db2.gz OZMUPBBGHTZNHF-IKGGRYGDSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001069945563 1216858825 /nfs/dbraw/zinc/85/88/25/1216858825.db2.gz OZMUPBBGHTZNHF-IKGGRYGDSA-N 2 1 362.478 0.019 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21)C1CC1 ZINC001223368251 1225701685 /nfs/dbraw/zinc/70/16/85/1225701685.db2.gz GTKIKXFEZIDBSB-WBVHZDCISA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223378479 1225702228 /nfs/dbraw/zinc/70/22/28/1225702228.db2.gz KPRQOWYJIMRNRW-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCOCC2)CC[N@H+]1C ZINC001070042122 1216918532 /nfs/dbraw/zinc/91/85/32/1216918532.db2.gz XPVUVPDCKNBNNI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCOCC2)CC[NH+]1C ZINC001070042122 1216918534 /nfs/dbraw/zinc/91/85/34/1216918534.db2.gz XPVUVPDCKNBNNI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CCOCC2)CC[NH+]1C ZINC001070042122 1216918542 /nfs/dbraw/zinc/91/85/42/1216918542.db2.gz XPVUVPDCKNBNNI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045473 1216919813 /nfs/dbraw/zinc/91/98/13/1216919813.db2.gz CEAIFWBEAZJCBN-BBWFWOEESA-N 2 1 364.494 0.267 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045473 1216919819 /nfs/dbraw/zinc/91/98/19/1216919819.db2.gz CEAIFWBEAZJCBN-BBWFWOEESA-N 2 1 364.494 0.267 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)[C@H]2C1 ZINC001223425300 1225706068 /nfs/dbraw/zinc/70/60/68/1225706068.db2.gz RLPWIXCJWDAEIM-BBWFWOEESA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)[C@H]2C1 ZINC001223425300 1225706072 /nfs/dbraw/zinc/70/60/72/1225706072.db2.gz RLPWIXCJWDAEIM-BBWFWOEESA-N 2 1 366.506 0.014 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912700 1225745152 /nfs/dbraw/zinc/74/51/52/1225745152.db2.gz YHQYXXLHNHKHQL-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912700 1225745155 /nfs/dbraw/zinc/74/51/55/1225745155.db2.gz YHQYXXLHNHKHQL-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001224129591 1225758420 /nfs/dbraw/zinc/75/84/20/1225758420.db2.gz IJQFQCJVKWXLQM-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21)C1CC1 ZINC001224129591 1225758427 /nfs/dbraw/zinc/75/84/27/1225758427.db2.gz IJQFQCJVKWXLQM-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044245098 1217824484 /nfs/dbraw/zinc/82/44/84/1217824484.db2.gz MJLRVUXPWPCFKV-ZACQAIPSSA-N 2 1 361.490 0.737 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044245098 1217824485 /nfs/dbraw/zinc/82/44/85/1217824485.db2.gz MJLRVUXPWPCFKV-ZACQAIPSSA-N 2 1 361.490 0.737 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045091453 1217899711 /nfs/dbraw/zinc/89/97/11/1217899711.db2.gz WVKNQINVXRCMCY-UKPHBRMFSA-N 2 1 364.494 0.406 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045091453 1217899712 /nfs/dbraw/zinc/89/97/12/1217899712.db2.gz WVKNQINVXRCMCY-UKPHBRMFSA-N 2 1 364.494 0.406 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672884 1217947500 /nfs/dbraw/zinc/94/75/00/1217947500.db2.gz WEBGKJHVOCDEBO-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000900339145 1217979728 /nfs/dbraw/zinc/97/97/28/1217979728.db2.gz MFSNVMHTTJFOOX-UHFFFAOYSA-N 3 1 359.474 0.883 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686726 1218024322 /nfs/dbraw/zinc/02/43/22/1218024322.db2.gz OMOMLDKYCSARBY-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686726 1218024324 /nfs/dbraw/zinc/02/43/24/1218024324.db2.gz OMOMLDKYCSARBY-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421426 1218035915 /nfs/dbraw/zinc/03/59/15/1218035915.db2.gz WPPSIYDRLBUGHI-IDHHARJASA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421426 1218035920 /nfs/dbraw/zinc/03/59/20/1218035920.db2.gz WPPSIYDRLBUGHI-IDHHARJASA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421426 1218035924 /nfs/dbraw/zinc/03/59/24/1218035924.db2.gz WPPSIYDRLBUGHI-IDHHARJASA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001046421426 1218035931 /nfs/dbraw/zinc/03/59/31/1218035931.db2.gz WPPSIYDRLBUGHI-IDHHARJASA-N 2 1 362.474 0.185 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900808768 1218040850 /nfs/dbraw/zinc/04/08/50/1218040850.db2.gz WUZKFIJANJWLGX-ROUUACIJSA-N 2 1 374.533 0.344 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001096139420 1218088430 /nfs/dbraw/zinc/08/84/30/1218088430.db2.gz BNHKBWPSMYZYSV-LTIDMASMSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001096139420 1218088436 /nfs/dbraw/zinc/08/84/36/1218088436.db2.gz BNHKBWPSMYZYSV-LTIDMASMSA-N 2 1 374.489 0.011 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)cn1 ZINC001096140430 1218089979 /nfs/dbraw/zinc/08/99/79/1218089979.db2.gz XZYKPWHXOKKDDN-IKGGRYGDSA-N 2 1 372.477 0.072 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001225345658 1225807456 /nfs/dbraw/zinc/80/74/56/1225807456.db2.gz CEUWZXREEQOJGO-KFWWJZLASA-N 2 1 365.478 0.040 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N2CCC2)CC[N@H+]1C ZINC001048527760 1218280891 /nfs/dbraw/zinc/28/08/91/1218280891.db2.gz NGBFFPJRFWJGEM-UYTYNIKBSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)CC[NH+]1C ZINC001048527760 1218280898 /nfs/dbraw/zinc/28/08/98/1218280898.db2.gz NGBFFPJRFWJGEM-UYTYNIKBSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)CC[NH+]1C ZINC001048527760 1218280904 /nfs/dbraw/zinc/28/09/04/1218280904.db2.gz NGBFFPJRFWJGEM-UYTYNIKBSA-N 2 1 362.518 0.918 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538470 1218282979 /nfs/dbraw/zinc/28/29/79/1218282979.db2.gz WDVLGXMAYMHOFI-PHPOFCCKSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538470 1218282984 /nfs/dbraw/zinc/28/29/84/1218282984.db2.gz WDVLGXMAYMHOFI-PHPOFCCKSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538470 1218282987 /nfs/dbraw/zinc/28/29/87/1218282987.db2.gz WDVLGXMAYMHOFI-PHPOFCCKSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048538470 1218282996 /nfs/dbraw/zinc/28/29/96/1218282996.db2.gz WDVLGXMAYMHOFI-PHPOFCCKSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048538470 1218283003 /nfs/dbraw/zinc/28/30/03/1218283003.db2.gz WDVLGXMAYMHOFI-PHPOFCCKSA-N 2 1 366.506 0.199 20 0 FCADMP COc1c(O)cccc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277041104 1225810323 /nfs/dbraw/zinc/81/03/23/1225810323.db2.gz FMRDPFMLCPCYPP-LJQANCHMSA-N 2 1 363.458 0.766 20 0 FCADMP COc1c(O)cccc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277041104 1225810325 /nfs/dbraw/zinc/81/03/25/1225810325.db2.gz FMRDPFMLCPCYPP-LJQANCHMSA-N 2 1 363.458 0.766 20 0 FCADMP CCn1nc(C)c(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829146 1218321940 /nfs/dbraw/zinc/32/19/40/1218321940.db2.gz IWNLMAQIOQVKAF-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829146 1218321943 /nfs/dbraw/zinc/32/19/43/1218321943.db2.gz IWNLMAQIOQVKAF-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829146 1218321947 /nfs/dbraw/zinc/32/19/47/1218321947.db2.gz IWNLMAQIOQVKAF-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829146 1218321950 /nfs/dbraw/zinc/32/19/50/1218321950.db2.gz IWNLMAQIOQVKAF-WCXIOVBPSA-N 2 1 360.506 0.837 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890472 1218336314 /nfs/dbraw/zinc/33/63/14/1218336314.db2.gz IRIMBWUNJYULAE-VXIBKDFQSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890472 1218336320 /nfs/dbraw/zinc/33/63/20/1218336320.db2.gz IRIMBWUNJYULAE-VXIBKDFQSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890472 1218336326 /nfs/dbraw/zinc/33/63/26/1218336326.db2.gz IRIMBWUNJYULAE-VXIBKDFQSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890472 1218336332 /nfs/dbraw/zinc/33/63/32/1218336332.db2.gz IRIMBWUNJYULAE-VXIBKDFQSA-N 2 1 358.486 0.999 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891103 1218337312 /nfs/dbraw/zinc/33/73/12/1218337312.db2.gz KMERVHJUWZRCPB-DFBDCSAJSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891103 1218337318 /nfs/dbraw/zinc/33/73/18/1218337318.db2.gz KMERVHJUWZRCPB-DFBDCSAJSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891103 1218337327 /nfs/dbraw/zinc/33/73/27/1218337327.db2.gz KMERVHJUWZRCPB-DFBDCSAJSA-N 2 1 365.518 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CC(C)(C)CO4)C[C@@H]3C2)O1 ZINC001048891103 1218337333 /nfs/dbraw/zinc/33/73/33/1218337333.db2.gz KMERVHJUWZRCPB-DFBDCSAJSA-N 2 1 365.518 0.911 20 0 FCADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000803179224 1218360765 /nfs/dbraw/zinc/36/07/65/1218360765.db2.gz IZZBYHNUFYYVDL-SFHVURJKSA-N 2 1 372.513 0.972 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524725 1225814988 /nfs/dbraw/zinc/81/49/88/1225814988.db2.gz IUTAFERIJBKZPU-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524725 1225814991 /nfs/dbraw/zinc/81/49/91/1225814991.db2.gz IUTAFERIJBKZPU-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)CC1 ZINC001096543272 1218472298 /nfs/dbraw/zinc/47/22/98/1218472298.db2.gz NHRMLGMVUOHDTA-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)CC1 ZINC001096543272 1218472306 /nfs/dbraw/zinc/47/23/06/1218472306.db2.gz NHRMLGMVUOHDTA-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC001096543272 1218472313 /nfs/dbraw/zinc/47/23/13/1218472313.db2.gz NHRMLGMVUOHDTA-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001096543272 1218472320 /nfs/dbraw/zinc/47/23/20/1218472320.db2.gz NHRMLGMVUOHDTA-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCCN(Cc3cnnn3C)CC2)C1=O ZINC001277073006 1225824684 /nfs/dbraw/zinc/82/46/84/1225824684.db2.gz XJJMVDONSBENBO-GOSISDBHSA-N 2 1 357.462 0.953 20 0 FCADMP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903921153 1218564207 /nfs/dbraw/zinc/56/42/07/1218564207.db2.gz NHWULFHVVCVOCK-FUHWJXTLSA-N 2 1 356.474 0.992 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000803995636 1218579570 /nfs/dbraw/zinc/57/95/70/1218579570.db2.gz JLJXSBSOMQHENE-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001097079606 1218683596 /nfs/dbraw/zinc/68/35/96/1218683596.db2.gz LWKHTVYLBQYEEU-TWMKSMIVSA-N 2 1 374.485 0.199 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226322814 1225839764 /nfs/dbraw/zinc/83/97/64/1225839764.db2.gz AUOKFSUQARDDHN-KBUPBQIOSA-N 2 1 367.494 0.189 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001097707054 1218839507 /nfs/dbraw/zinc/83/95/07/1218839507.db2.gz ICPJMNWQFNLAIM-BDXSIMOUSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001097707054 1218839510 /nfs/dbraw/zinc/83/95/10/1218839510.db2.gz ICPJMNWQFNLAIM-BDXSIMOUSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)C1 ZINC001097707054 1218839514 /nfs/dbraw/zinc/83/95/14/1218839514.db2.gz ICPJMNWQFNLAIM-BDXSIMOUSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)C1 ZINC001097707054 1218839515 /nfs/dbraw/zinc/83/95/15/1218839515.db2.gz ICPJMNWQFNLAIM-BDXSIMOUSA-N 2 1 361.490 0.714 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCc4ccnn4C)C3)C2)CC[N@H+]1C ZINC001053806639 1218891902 /nfs/dbraw/zinc/89/19/02/1218891902.db2.gz NINKYAIEZHSJCE-HLLBOEOZSA-N 2 1 361.490 0.262 20 0 FCADMP CCOc1ncccc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277177879 1225862227 /nfs/dbraw/zinc/86/22/27/1225862227.db2.gz IQQRKDRXTTWAQR-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1ncccc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277177879 1225862230 /nfs/dbraw/zinc/86/22/30/1225862230.db2.gz IQQRKDRXTTWAQR-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227224744 1225866967 /nfs/dbraw/zinc/86/69/67/1225866967.db2.gz IUFPXSXMSLPJNX-RBSFLKMASA-N 2 1 367.494 0.319 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055577849 1219085512 /nfs/dbraw/zinc/08/55/12/1219085512.db2.gz CPBYBKPVGCYDDV-VYDXJSESSA-N 2 1 366.506 0.060 20 0 FCADMP CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583681 1219088373 /nfs/dbraw/zinc/08/83/73/1219088373.db2.gz YCPWWLKHOYGFKH-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001055583549 1219088509 /nfs/dbraw/zinc/08/85/09/1219088509.db2.gz RVHYPANIFWEKCL-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055589915 1219090949 /nfs/dbraw/zinc/09/09/49/1219090949.db2.gz UNIDSWXIAVITBU-KXBFYZLASA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057414 1219112291 /nfs/dbraw/zinc/11/22/91/1219112291.db2.gz PKMXNGKIKUSYCS-ULQDDVLXSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804057414 1219112297 /nfs/dbraw/zinc/11/22/97/1219112297.db2.gz PKMXNGKIKUSYCS-ULQDDVLXSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804057414 1219112304 /nfs/dbraw/zinc/11/23/04/1219112304.db2.gz PKMXNGKIKUSYCS-ULQDDVLXSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804062553 1219117498 /nfs/dbraw/zinc/11/74/98/1219117498.db2.gz ICARZSLAICBOHE-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070080585 1219149146 /nfs/dbraw/zinc/14/91/46/1219149146.db2.gz NFPRNYVPVWMWPN-WBVHZDCISA-N 2 1 355.446 0.804 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070080585 1219149148 /nfs/dbraw/zinc/14/91/48/1219149148.db2.gz NFPRNYVPVWMWPN-WBVHZDCISA-N 2 1 355.446 0.804 20 0 FCADMP COc1cnc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277237704 1225884284 /nfs/dbraw/zinc/88/42/84/1225884284.db2.gz BXZFTVKKNFLNPU-GOSISDBHSA-N 2 1 361.446 0.388 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070273757 1219341540 /nfs/dbraw/zinc/34/15/40/1219341540.db2.gz FCFRLKLECRNQTA-NXHRZFHOSA-N 2 1 369.473 0.699 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070273757 1219341542 /nfs/dbraw/zinc/34/15/42/1219341542.db2.gz FCFRLKLECRNQTA-NXHRZFHOSA-N 2 1 369.473 0.699 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070312374 1219369563 /nfs/dbraw/zinc/36/95/63/1219369563.db2.gz ORWLTVVLRPTXEK-CABCVRRESA-N 2 1 371.445 0.212 20 0 FCADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)c1 ZINC001070326728 1219376902 /nfs/dbraw/zinc/37/69/02/1219376902.db2.gz ADZVYDJNJDSLSI-KSZLIROESA-N 2 1 369.473 0.475 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326965 1219377768 /nfs/dbraw/zinc/37/77/68/1219377768.db2.gz LVBCZDWWBAHKFQ-KSZLIROESA-N 2 1 354.458 0.772 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070381604 1219406305 /nfs/dbraw/zinc/40/63/05/1219406305.db2.gz KGAJSAMIDWBBPQ-OGWOLHLISA-N 2 1 368.497 0.773 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCCF)CC2)C1 ZINC001070382819 1219407541 /nfs/dbraw/zinc/40/75/41/1219407541.db2.gz SIQIJIPXDMBIHM-JZXOWHBKSA-N 2 1 368.497 0.773 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001070382814 1219407549 /nfs/dbraw/zinc/40/75/49/1219407549.db2.gz SDUQSYXMPLNIRW-KPFFTGBYSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n[nH]2)C1 ZINC001070577063 1219477697 /nfs/dbraw/zinc/47/76/97/1219477697.db2.gz MVUABAAOROATCW-QLFBSQMISA-N 2 1 362.478 0.592 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n2)C1 ZINC001070577063 1219477698 /nfs/dbraw/zinc/47/76/98/1219477698.db2.gz MVUABAAOROATCW-QLFBSQMISA-N 2 1 362.478 0.592 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CC4CC4)O3)n2)C1 ZINC001070577063 1219477700 /nfs/dbraw/zinc/47/77/00/1219477700.db2.gz MVUABAAOROATCW-QLFBSQMISA-N 2 1 362.478 0.592 20 0 FCADMP CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001070604779 1219482281 /nfs/dbraw/zinc/48/22/81/1219482281.db2.gz ZSLKZXTVWKFKHL-QKPAOTATSA-N 2 1 365.478 0.650 20 0 FCADMP CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001070604779 1219482282 /nfs/dbraw/zinc/48/22/82/1219482282.db2.gz ZSLKZXTVWKFKHL-QKPAOTATSA-N 2 1 365.478 0.650 20 0 FCADMP CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001070604779 1219482287 /nfs/dbraw/zinc/48/22/87/1219482287.db2.gz ZSLKZXTVWKFKHL-QKPAOTATSA-N 2 1 365.478 0.650 20 0 FCADMP CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001070604779 1219482290 /nfs/dbraw/zinc/48/22/90/1219482290.db2.gz ZSLKZXTVWKFKHL-QKPAOTATSA-N 2 1 365.478 0.650 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070719161 1219541717 /nfs/dbraw/zinc/54/17/17/1219541717.db2.gz UUNNFBPPJPOKNJ-KBAYOESNSA-N 2 1 368.485 0.851 20 0 FCADMP CC(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972749 1219586114 /nfs/dbraw/zinc/58/61/14/1219586114.db2.gz JQMFMSMVWIUQKB-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972749 1219586115 /nfs/dbraw/zinc/58/61/15/1219586115.db2.gz JQMFMSMVWIUQKB-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972749 1219586116 /nfs/dbraw/zinc/58/61/16/1219586116.db2.gz JQMFMSMVWIUQKB-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972749 1219586118 /nfs/dbraw/zinc/58/61/18/1219586118.db2.gz JQMFMSMVWIUQKB-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[NH+](CC4CC4)CC3=O)C2)CC[N@@H+]1C ZINC001071265708 1219612089 /nfs/dbraw/zinc/61/20/89/1219612089.db2.gz QIGQYYUKJUWFIC-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[NH+](CC4CC4)CC3=O)C2)CC[N@H+]1C ZINC001071265708 1219612092 /nfs/dbraw/zinc/61/20/92/1219612092.db2.gz QIGQYYUKJUWFIC-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[N@H+](CC4CC4)CC3=O)C2)CC[NH+]1C ZINC001071265708 1219612094 /nfs/dbraw/zinc/61/20/94/1219612094.db2.gz QIGQYYUKJUWFIC-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[N@@H+](CC4CC4)CC3=O)C2)CC[NH+]1C ZINC001071265708 1219612096 /nfs/dbraw/zinc/61/20/96/1219612096.db2.gz QIGQYYUKJUWFIC-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@@H+]1C ZINC001073605396 1219672125 /nfs/dbraw/zinc/67/21/25/1219672125.db2.gz JREAOUXIZMTLNY-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@H+]1C ZINC001073605396 1219672129 /nfs/dbraw/zinc/67/21/29/1219672129.db2.gz JREAOUXIZMTLNY-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073605396 1219672132 /nfs/dbraw/zinc/67/21/32/1219672132.db2.gz JREAOUXIZMTLNY-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073605396 1219672136 /nfs/dbraw/zinc/67/21/36/1219672136.db2.gz JREAOUXIZMTLNY-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCCO2)O1 ZINC001073660862 1219676646 /nfs/dbraw/zinc/67/66/46/1219676646.db2.gz QKRDOSIDHHZYGD-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCCO2)O1 ZINC001073660862 1219676650 /nfs/dbraw/zinc/67/66/50/1219676650.db2.gz QKRDOSIDHHZYGD-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CC3CCOCC3)CCCO2)O1 ZINC001073660862 1219676653 /nfs/dbraw/zinc/67/66/53/1219676653.db2.gz QKRDOSIDHHZYGD-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CCOCC3)CCCO2)O1 ZINC001073660862 1219676656 /nfs/dbraw/zinc/67/66/56/1219676656.db2.gz QKRDOSIDHHZYGD-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP COCCc1noc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074657837 1219711324 /nfs/dbraw/zinc/71/13/24/1219711324.db2.gz HOHKZBFHMWKDGV-BARDWOONSA-N 2 1 365.478 0.678 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001098219907 1219743111 /nfs/dbraw/zinc/74/31/11/1219743111.db2.gz XGCRAVIJLUJBTI-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001098219907 1219743113 /nfs/dbraw/zinc/74/31/13/1219743113.db2.gz XGCRAVIJLUJBTI-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001098219907 1219743119 /nfs/dbraw/zinc/74/31/19/1219743119.db2.gz XGCRAVIJLUJBTI-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001098370954 1219767621 /nfs/dbraw/zinc/76/76/21/1219767621.db2.gz CRXOBYAAYWXQKX-DLBZAZTESA-N 2 1 368.522 0.090 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CCO)CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001098370954 1219767625 /nfs/dbraw/zinc/76/76/25/1219767625.db2.gz CRXOBYAAYWXQKX-DLBZAZTESA-N 2 1 368.522 0.090 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CCO)CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001098370954 1219767628 /nfs/dbraw/zinc/76/76/28/1219767628.db2.gz CRXOBYAAYWXQKX-DLBZAZTESA-N 2 1 368.522 0.090 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001098405567 1219775249 /nfs/dbraw/zinc/77/52/49/1219775249.db2.gz DXMISTAGXYDCNT-ZACQAIPSSA-N 2 1 355.442 0.812 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001098405567 1219775253 /nfs/dbraw/zinc/77/52/53/1219775253.db2.gz DXMISTAGXYDCNT-ZACQAIPSSA-N 2 1 355.442 0.812 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cncn2)C3)CC[N@H+]1C ZINC001098846232 1219839231 /nfs/dbraw/zinc/83/92/31/1219839231.db2.gz AAJPAONIRRPEFZ-BMFAXAFESA-N 2 1 360.506 0.979 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001098846232 1219839233 /nfs/dbraw/zinc/83/92/33/1219839233.db2.gz AAJPAONIRRPEFZ-BMFAXAFESA-N 2 1 360.506 0.979 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001098846232 1219839234 /nfs/dbraw/zinc/83/92/34/1219839234.db2.gz AAJPAONIRRPEFZ-BMFAXAFESA-N 2 1 360.506 0.979 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001098946525 1219871655 /nfs/dbraw/zinc/87/16/55/1219871655.db2.gz RVZJHGKZDPJWGW-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001098946525 1219871656 /nfs/dbraw/zinc/87/16/56/1219871656.db2.gz RVZJHGKZDPJWGW-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099122462 1219921020 /nfs/dbraw/zinc/92/10/20/1219921020.db2.gz VBOSHLCZTQKLRT-GJYPPUQNSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)C1 ZINC001099122462 1219921024 /nfs/dbraw/zinc/92/10/24/1219921024.db2.gz VBOSHLCZTQKLRT-GJYPPUQNSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)C1 ZINC001099122462 1219921029 /nfs/dbraw/zinc/92/10/29/1219921029.db2.gz VBOSHLCZTQKLRT-GJYPPUQNSA-N 2 1 363.506 0.324 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001099122599 1219921718 /nfs/dbraw/zinc/92/17/18/1219921718.db2.gz BOSFVCIVZLSKJI-YWZLYKJASA-N 2 1 360.502 0.674 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001099164476 1219937546 /nfs/dbraw/zinc/93/75/46/1219937546.db2.gz CBQHLHRACPKCDI-RFUYNDQBSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001099164476 1219937549 /nfs/dbraw/zinc/93/75/49/1219937549.db2.gz CBQHLHRACPKCDI-RFUYNDQBSA-N 2 1 359.474 0.829 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228603672 1225934941 /nfs/dbraw/zinc/93/49/41/1225934941.db2.gz RIBZVDGZZSGDEH-RRFJBIMHSA-N 2 1 367.494 0.191 20 0 FCADMP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)nc1=O ZINC001228623461 1225936800 /nfs/dbraw/zinc/93/68/00/1225936800.db2.gz BRRCRTFAWDWMED-ZIAGYGMSSA-N 2 1 366.510 0.603 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240544 1220240708 /nfs/dbraw/zinc/24/07/08/1220240708.db2.gz AUSQUXNBGGGHEM-HLIPFELVSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243576 1220242620 /nfs/dbraw/zinc/24/26/20/1220242620.db2.gz NNKPDJSPYRLBHU-OYRIPWCXSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243576 1220242624 /nfs/dbraw/zinc/24/26/24/1220242624.db2.gz NNKPDJSPYRLBHU-OYRIPWCXSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243576 1220242629 /nfs/dbraw/zinc/24/26/29/1220242629.db2.gz NNKPDJSPYRLBHU-OYRIPWCXSA-N 2 1 362.518 0.633 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001101257324 1220250657 /nfs/dbraw/zinc/25/06/57/1220250657.db2.gz PPSFTNUTIXGKFX-KYJSFNMBSA-N 2 1 366.485 0.775 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001101257324 1220250663 /nfs/dbraw/zinc/25/06/63/1220250663.db2.gz PPSFTNUTIXGKFX-KYJSFNMBSA-N 2 1 366.485 0.775 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101342872 1220295591 /nfs/dbraw/zinc/29/55/91/1220295591.db2.gz RFDJCHUFXZFAQY-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC1 ZINC001101349809 1220297907 /nfs/dbraw/zinc/29/79/07/1220297907.db2.gz FORKUGSZAKGHNR-XLIONFOSSA-N 2 1 362.518 0.635 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353131 1220298309 /nfs/dbraw/zinc/29/83/09/1220298309.db2.gz UKTYXQAUKFSJIE-MDZRGWNJSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC001101351531 1220298485 /nfs/dbraw/zinc/29/84/85/1220298485.db2.gz JFTMVNDUFFXFQC-GJYPPUQNSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC001101351531 1220298488 /nfs/dbraw/zinc/29/84/88/1220298488.db2.gz JFTMVNDUFFXFQC-GJYPPUQNSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417629 1220331605 /nfs/dbraw/zinc/33/16/05/1220331605.db2.gz YYPJIYKXJAHBCA-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417629 1220331608 /nfs/dbraw/zinc/33/16/08/1220331608.db2.gz YYPJIYKXJAHBCA-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417629 1220331612 /nfs/dbraw/zinc/33/16/12/1220331612.db2.gz YYPJIYKXJAHBCA-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418580 1220333011 /nfs/dbraw/zinc/33/30/11/1220333011.db2.gz ZAPNMSBQJZBBJP-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418580 1220333017 /nfs/dbraw/zinc/33/30/17/1220333017.db2.gz ZAPNMSBQJZBBJP-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101418580 1220333022 /nfs/dbraw/zinc/33/30/22/1220333022.db2.gz ZAPNMSBQJZBBJP-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101440747 1220346712 /nfs/dbraw/zinc/34/67/12/1220346712.db2.gz SVAUKWSZWHEKCQ-KDOFPFPSSA-N 2 1 364.494 0.121 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101440747 1220346716 /nfs/dbraw/zinc/34/67/16/1220346716.db2.gz SVAUKWSZWHEKCQ-KDOFPFPSSA-N 2 1 364.494 0.121 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101440747 1220346722 /nfs/dbraw/zinc/34/67/22/1220346722.db2.gz SVAUKWSZWHEKCQ-KDOFPFPSSA-N 2 1 364.494 0.121 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101440747 1220346727 /nfs/dbraw/zinc/34/67/27/1220346727.db2.gz SVAUKWSZWHEKCQ-KDOFPFPSSA-N 2 1 364.494 0.121 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443256 1220347703 /nfs/dbraw/zinc/34/77/03/1220347703.db2.gz BIBPMHYUWCNMCF-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443256 1220347707 /nfs/dbraw/zinc/34/77/07/1220347707.db2.gz BIBPMHYUWCNMCF-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443256 1220347711 /nfs/dbraw/zinc/34/77/11/1220347711.db2.gz BIBPMHYUWCNMCF-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461547 1220358531 /nfs/dbraw/zinc/35/85/31/1220358531.db2.gz ICKUVNDEXJFZCB-APWZRJJASA-N 2 1 366.506 0.015 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460380 1220358735 /nfs/dbraw/zinc/35/87/35/1220358735.db2.gz BRYOCYPVJCICSX-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460380 1220358741 /nfs/dbraw/zinc/35/87/41/1220358741.db2.gz BRYOCYPVJCICSX-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460380 1220358747 /nfs/dbraw/zinc/35/87/47/1220358747.db2.gz BRYOCYPVJCICSX-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461682 1220360543 /nfs/dbraw/zinc/36/05/43/1220360543.db2.gz ORHYTBKHZOCUEE-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@]12CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001101487237 1220371188 /nfs/dbraw/zinc/37/11/88/1220371188.db2.gz UOAZGZGGFNPBLK-HLIPFELVSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@]12CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001101487238 1220372205 /nfs/dbraw/zinc/37/22/05/1220372205.db2.gz UOAZGZGGFNPBLK-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983023 1220452882 /nfs/dbraw/zinc/45/28/82/1220452882.db2.gz XZUJYZGFSJLSAH-QBPKDAKJSA-N 2 1 367.538 0.718 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983023 1220452886 /nfs/dbraw/zinc/45/28/86/1220452886.db2.gz XZUJYZGFSJLSAH-QBPKDAKJSA-N 2 1 367.538 0.718 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983023 1220452889 /nfs/dbraw/zinc/45/28/89/1220452889.db2.gz XZUJYZGFSJLSAH-QBPKDAKJSA-N 2 1 367.538 0.718 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015897 1220462875 /nfs/dbraw/zinc/46/28/75/1220462875.db2.gz UWJMLFQWJQOVKB-OIISXLGYSA-N 2 1 370.513 0.877 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015454 1220462886 /nfs/dbraw/zinc/46/28/86/1220462886.db2.gz GFTKKMBHKGQJCZ-BZUAXINKSA-N 2 1 371.501 0.376 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046298 1220477452 /nfs/dbraw/zinc/47/74/52/1220477452.db2.gz XAZOPTMMYNDKDX-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102060589 1220482059 /nfs/dbraw/zinc/48/20/59/1220482059.db2.gz HOXNWTDJSBDQJA-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102060589 1220482061 /nfs/dbraw/zinc/48/20/61/1220482061.db2.gz HOXNWTDJSBDQJA-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102060589 1220482062 /nfs/dbraw/zinc/48/20/62/1220482062.db2.gz HOXNWTDJSBDQJA-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102085808 1220491140 /nfs/dbraw/zinc/49/11/40/1220491140.db2.gz BXGZOQPOMBACCV-HUUCEWRRSA-N 2 1 365.478 0.612 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102085808 1220491144 /nfs/dbraw/zinc/49/11/44/1220491144.db2.gz BXGZOQPOMBACCV-HUUCEWRRSA-N 2 1 365.478 0.612 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108391 1220499056 /nfs/dbraw/zinc/49/90/56/1220499056.db2.gz KITLCEGJFIGUQN-NUJGCVRESA-N 2 1 364.490 0.599 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108395 1220499081 /nfs/dbraw/zinc/49/90/81/1220499081.db2.gz KOKOFKUMIWDKPH-HZPDHXFCSA-N 2 1 361.490 0.728 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108622 1220499151 /nfs/dbraw/zinc/49/91/51/1220499151.db2.gz UZHLATDOXMXVBA-INMHGKMJSA-N 2 1 361.490 0.856 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102155882 1220527590 /nfs/dbraw/zinc/52/75/90/1220527590.db2.gz FEQPIWXXHSAAGA-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102155882 1220527602 /nfs/dbraw/zinc/52/76/02/1220527602.db2.gz FEQPIWXXHSAAGA-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102156143 1220527752 /nfs/dbraw/zinc/52/77/52/1220527752.db2.gz KMIMSPPYXUWUMD-HYVNUMGLSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102156143 1220527757 /nfs/dbraw/zinc/52/77/57/1220527757.db2.gz KMIMSPPYXUWUMD-HYVNUMGLSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C ZINC001102156472 1220528664 /nfs/dbraw/zinc/52/86/64/1220528664.db2.gz VRBISUNQJIXPQS-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1C ZINC001102156472 1220528670 /nfs/dbraw/zinc/52/86/70/1220528670.db2.gz VRBISUNQJIXPQS-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214904 1220557740 /nfs/dbraw/zinc/55/77/40/1220557740.db2.gz FWRKRFKABCPJHF-RBSFLKMASA-N 2 1 364.490 0.350 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102316484 1220582054 /nfs/dbraw/zinc/58/20/54/1220582054.db2.gz SEIWYCLPKYLNAD-NVXWUHKLSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319020 1220583069 /nfs/dbraw/zinc/58/30/69/1220583069.db2.gz VKYZYNKNZLXYTO-RBSFLKMASA-N 2 1 362.478 0.439 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319020 1220583073 /nfs/dbraw/zinc/58/30/73/1220583073.db2.gz VKYZYNKNZLXYTO-RBSFLKMASA-N 2 1 362.478 0.439 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369661 1220595666 /nfs/dbraw/zinc/59/56/66/1220595666.db2.gz BWSAJFPAPOCIMJ-LZLYRXPVSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369661 1220595673 /nfs/dbraw/zinc/59/56/73/1220595673.db2.gz BWSAJFPAPOCIMJ-LZLYRXPVSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369661 1220595679 /nfs/dbraw/zinc/59/56/79/1220595679.db2.gz BWSAJFPAPOCIMJ-LZLYRXPVSA-N 2 1 360.502 0.911 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102369761 1220595933 /nfs/dbraw/zinc/59/59/33/1220595933.db2.gz GOJDCYLOIZGNBI-HDMKZQKVSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102369761 1220595937 /nfs/dbraw/zinc/59/59/37/1220595937.db2.gz GOJDCYLOIZGNBI-HDMKZQKVSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102369761 1220595943 /nfs/dbraw/zinc/59/59/43/1220595943.db2.gz GOJDCYLOIZGNBI-HDMKZQKVSA-N 2 1 362.522 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375503 1220598006 /nfs/dbraw/zinc/59/80/06/1220598006.db2.gz NKANFJPVJFHPNW-HZPDHXFCSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375503 1220598015 /nfs/dbraw/zinc/59/80/15/1220598015.db2.gz NKANFJPVJFHPNW-HZPDHXFCSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375503 1220598022 /nfs/dbraw/zinc/59/80/22/1220598022.db2.gz NKANFJPVJFHPNW-HZPDHXFCSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375568 1220600757 /nfs/dbraw/zinc/60/07/57/1220600757.db2.gz QFLNXSKPONGIRR-HZPDHXFCSA-N 2 1 367.538 0.674 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375568 1220600761 /nfs/dbraw/zinc/60/07/61/1220600761.db2.gz QFLNXSKPONGIRR-HZPDHXFCSA-N 2 1 367.538 0.674 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375568 1220600766 /nfs/dbraw/zinc/60/07/66/1220600766.db2.gz QFLNXSKPONGIRR-HZPDHXFCSA-N 2 1 367.538 0.674 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102419420 1220616655 /nfs/dbraw/zinc/61/66/55/1220616655.db2.gz DVACCHNSUJPXHD-HUUCEWRRSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102419420 1220616657 /nfs/dbraw/zinc/61/66/57/1220616657.db2.gz DVACCHNSUJPXHD-HUUCEWRRSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102419838 1220616717 /nfs/dbraw/zinc/61/67/17/1220616717.db2.gz WZHLUPXQFDYUAG-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102419838 1220616721 /nfs/dbraw/zinc/61/67/21/1220616721.db2.gz WZHLUPXQFDYUAG-BZUAXINKSA-N 2 1 361.490 0.921 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229136264 1225982432 /nfs/dbraw/zinc/98/24/32/1225982432.db2.gz YVUSPGWHFLUARZ-KZNAEPCWSA-N 2 1 371.522 0.513 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229136265 1225982884 /nfs/dbraw/zinc/98/28/84/1225982884.db2.gz YVUSPGWHFLUARZ-RCCFBDPRSA-N 2 1 371.522 0.513 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102496372 1220657036 /nfs/dbraw/zinc/65/70/36/1220657036.db2.gz RXWSZPOFZRLARB-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102496372 1220657038 /nfs/dbraw/zinc/65/70/38/1220657038.db2.gz RXWSZPOFZRLARB-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102496372 1220657042 /nfs/dbraw/zinc/65/70/42/1220657042.db2.gz RXWSZPOFZRLARB-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)nn1C ZINC001229142404 1225983127 /nfs/dbraw/zinc/98/31/27/1225983127.db2.gz SOIJDZUAUKSDEP-QZTJIDSGSA-N 2 1 363.506 0.968 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141983 1225983544 /nfs/dbraw/zinc/98/35/44/1225983544.db2.gz OAVZHIQXTIOXJY-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1C ZINC001102511322 1220670303 /nfs/dbraw/zinc/67/03/03/1220670303.db2.gz RRBLHNMXFXEANP-HUUCEWRRSA-N 2 1 366.510 0.140 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1C ZINC001102511322 1220670306 /nfs/dbraw/zinc/67/03/06/1220670306.db2.gz RRBLHNMXFXEANP-HUUCEWRRSA-N 2 1 366.510 0.140 20 0 FCADMP CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001229142363 1225983911 /nfs/dbraw/zinc/98/39/11/1225983911.db2.gz RWHQUTOXQFFJAO-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CCc1nnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513251 1220671931 /nfs/dbraw/zinc/67/19/31/1220671931.db2.gz BQUOZTJJXNCMEI-RBSFLKMASA-N 2 1 367.494 0.955 20 0 FCADMP CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513251 1220671936 /nfs/dbraw/zinc/67/19/36/1220671936.db2.gz BQUOZTJJXNCMEI-RBSFLKMASA-N 2 1 367.494 0.955 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513503 1220672824 /nfs/dbraw/zinc/67/28/24/1220672824.db2.gz NFXZOIYHAJFDLK-VQIMIIECSA-N 2 1 363.502 0.941 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102524515 1220680676 /nfs/dbraw/zinc/68/06/76/1220680676.db2.gz JLWDGDAVQZZFIJ-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102524515 1220680677 /nfs/dbraw/zinc/68/06/77/1220680677.db2.gz JLWDGDAVQZZFIJ-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102524515 1220680681 /nfs/dbraw/zinc/68/06/81/1220680681.db2.gz JLWDGDAVQZZFIJ-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102525334 1220682060 /nfs/dbraw/zinc/68/20/60/1220682060.db2.gz XBTYYDWXZMRVOO-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102525334 1220682063 /nfs/dbraw/zinc/68/20/63/1220682063.db2.gz XBTYYDWXZMRVOO-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102525334 1220682065 /nfs/dbraw/zinc/68/20/65/1220682065.db2.gz XBTYYDWXZMRVOO-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578038 1220700310 /nfs/dbraw/zinc/70/03/10/1220700310.db2.gz ILBJHHLNJFNHGB-OWCLPIDISA-N 2 1 362.474 0.532 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578038 1220700315 /nfs/dbraw/zinc/70/03/15/1220700315.db2.gz ILBJHHLNJFNHGB-OWCLPIDISA-N 2 1 362.474 0.532 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578038 1220700319 /nfs/dbraw/zinc/70/03/19/1220700319.db2.gz ILBJHHLNJFNHGB-OWCLPIDISA-N 2 1 362.474 0.532 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001102580141 1220703555 /nfs/dbraw/zinc/70/35/55/1220703555.db2.gz HPKBYMLNLPEJHP-RHSMWYFYSA-N 2 1 357.458 0.775 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001102580141 1220703566 /nfs/dbraw/zinc/70/35/66/1220703566.db2.gz HPKBYMLNLPEJHP-RHSMWYFYSA-N 2 1 357.458 0.775 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580252 1220704339 /nfs/dbraw/zinc/70/43/39/1220704339.db2.gz NAAPISPTSICNJU-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580252 1220704347 /nfs/dbraw/zinc/70/43/47/1220704347.db2.gz NAAPISPTSICNJU-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596625 1220718119 /nfs/dbraw/zinc/71/81/19/1220718119.db2.gz PWRRFPKHPMLBIA-QLFBSQMISA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001102600285 1220722276 /nfs/dbraw/zinc/72/22/76/1220722276.db2.gz XMCUNJXLUZYLHP-QRQLOZEOSA-N 2 1 363.502 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001102600285 1220722287 /nfs/dbraw/zinc/72/22/87/1220722287.db2.gz XMCUNJXLUZYLHP-QRQLOZEOSA-N 2 1 363.502 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612824 1220731394 /nfs/dbraw/zinc/73/13/94/1220731394.db2.gz ZHWFZAMKHDCSSU-HUUCEWRRSA-N 2 1 367.494 0.132 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102819344 1220790875 /nfs/dbraw/zinc/79/08/75/1220790875.db2.gz RBSKEDABRXRBRD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102819344 1220790883 /nfs/dbraw/zinc/79/08/83/1220790883.db2.gz RBSKEDABRXRBRD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001102819344 1220790890 /nfs/dbraw/zinc/79/08/90/1220790890.db2.gz RBSKEDABRXRBRD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001102819344 1220790898 /nfs/dbraw/zinc/79/08/98/1220790898.db2.gz RBSKEDABRXRBRD-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993674 1220817257 /nfs/dbraw/zinc/81/72/57/1220817257.db2.gz DUMZJFAPPYZKKC-OIISXLGYSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993674 1220817265 /nfs/dbraw/zinc/81/72/65/1220817265.db2.gz DUMZJFAPPYZKKC-OIISXLGYSA-N 2 1 360.506 0.731 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050258 1220824050 /nfs/dbraw/zinc/82/40/50/1220824050.db2.gz ZQFLOWJGISIPBI-ZACQAIPSSA-N 2 1 370.513 0.973 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083740 1220830377 /nfs/dbraw/zinc/83/03/77/1220830377.db2.gz HLSMGZCHBVZZPQ-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089786 1220830756 /nfs/dbraw/zinc/83/07/56/1220830756.db2.gz BAORRJBUZMNMEJ-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103089786 1220830759 /nfs/dbraw/zinc/83/07/59/1220830759.db2.gz BAORRJBUZMNMEJ-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103089786 1220830762 /nfs/dbraw/zinc/83/07/62/1220830762.db2.gz BAORRJBUZMNMEJ-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103087225 1220831030 /nfs/dbraw/zinc/83/10/30/1220831030.db2.gz CFYGGVXXGWTCDS-OLMNPRSZSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103087418 1220831196 /nfs/dbraw/zinc/83/11/96/1220831196.db2.gz GZOSNBJWCZXDSM-DJIMGWMZSA-N 2 1 365.522 0.426 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136507 1220839250 /nfs/dbraw/zinc/83/92/50/1220839250.db2.gz GRISDKPXLONGKI-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136507 1220839253 /nfs/dbraw/zinc/83/92/53/1220839253.db2.gz GRISDKPXLONGKI-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136507 1220839256 /nfs/dbraw/zinc/83/92/56/1220839256.db2.gz GRISDKPXLONGKI-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136507 1220839257 /nfs/dbraw/zinc/83/92/57/1220839257.db2.gz GRISDKPXLONGKI-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103233451 1220855022 /nfs/dbraw/zinc/85/50/22/1220855022.db2.gz LIHNFMOZVXFJCE-BPLDGKMQSA-N 2 1 361.446 0.071 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103233451 1220855025 /nfs/dbraw/zinc/85/50/25/1220855025.db2.gz LIHNFMOZVXFJCE-BPLDGKMQSA-N 2 1 361.446 0.071 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232333 1220855069 /nfs/dbraw/zinc/85/50/69/1220855069.db2.gz IYQGVOXGXZTHEV-ZIAGYGMSSA-N 2 1 368.445 0.746 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232333 1220855071 /nfs/dbraw/zinc/85/50/71/1220855071.db2.gz IYQGVOXGXZTHEV-ZIAGYGMSSA-N 2 1 368.445 0.746 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364521 1220871231 /nfs/dbraw/zinc/87/12/31/1220871231.db2.gz JXKCDUNDHBBXMF-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364521 1220871235 /nfs/dbraw/zinc/87/12/35/1220871235.db2.gz JXKCDUNDHBBXMF-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001103364521 1220871236 /nfs/dbraw/zinc/87/12/36/1220871236.db2.gz JXKCDUNDHBBXMF-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378806 1220873867 /nfs/dbraw/zinc/87/38/67/1220873867.db2.gz LJDPEWYTIFYNKO-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407571 1220878030 /nfs/dbraw/zinc/87/80/30/1220878030.db2.gz JSJYDHDQJRBGLS-IIAWOOMASA-N 2 1 369.510 0.102 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436390 1220882371 /nfs/dbraw/zinc/88/23/71/1220882371.db2.gz WCGYSLLHPKZOOD-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436390 1220882373 /nfs/dbraw/zinc/88/23/73/1220882373.db2.gz WCGYSLLHPKZOOD-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436390 1220882375 /nfs/dbraw/zinc/88/23/75/1220882375.db2.gz WCGYSLLHPKZOOD-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103533893 1220897032 /nfs/dbraw/zinc/89/70/32/1220897032.db2.gz HJYFUOYJOIUIHM-DJIMGWMZSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103533893 1220897037 /nfs/dbraw/zinc/89/70/37/1220897037.db2.gz HJYFUOYJOIUIHM-DJIMGWMZSA-N 2 1 361.490 0.934 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584551 1220907974 /nfs/dbraw/zinc/90/79/74/1220907974.db2.gz ZFECXGTXPTUIGG-ZACQAIPSSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641787 1220925170 /nfs/dbraw/zinc/92/51/70/1220925170.db2.gz DMYLLYGHNHPVPL-IAGOWNOFSA-N 2 1 370.538 0.506 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642251 1220926137 /nfs/dbraw/zinc/92/61/37/1220926137.db2.gz WQKWDIYUQBHRPN-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646601 1220927854 /nfs/dbraw/zinc/92/78/54/1220927854.db2.gz BFQQTJUEMPXKSC-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP CCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646601 1220927866 /nfs/dbraw/zinc/92/78/66/1220927866.db2.gz BFQQTJUEMPXKSC-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654785 1220929556 /nfs/dbraw/zinc/92/95/56/1220929556.db2.gz BIFPYGYFDIIJBK-HUUCEWRRSA-N 2 1 366.510 0.415 20 0 FCADMP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103663433 1220932898 /nfs/dbraw/zinc/93/28/98/1220932898.db2.gz BFMURWFYPPDKEX-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103663433 1220932903 /nfs/dbraw/zinc/93/29/03/1220932903.db2.gz BFMURWFYPPDKEX-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103663433 1220932905 /nfs/dbraw/zinc/93/29/05/1220932905.db2.gz BFMURWFYPPDKEX-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103663433 1220932907 /nfs/dbraw/zinc/93/29/07/1220932907.db2.gz BFMURWFYPPDKEX-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722504 1220952123 /nfs/dbraw/zinc/95/21/23/1220952123.db2.gz QCUDZPVCUYZDCR-KURKYZTESA-N 2 1 371.522 0.180 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721539 1220952779 /nfs/dbraw/zinc/95/27/79/1220952779.db2.gz WWZPWBYVFLBHLC-NXHRZFHOSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721539 1220952781 /nfs/dbraw/zinc/95/27/81/1220952781.db2.gz WWZPWBYVFLBHLC-NXHRZFHOSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721539 1220952787 /nfs/dbraw/zinc/95/27/87/1220952787.db2.gz WWZPWBYVFLBHLC-NXHRZFHOSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722283 1220952861 /nfs/dbraw/zinc/95/28/61/1220952861.db2.gz FSONWSFDVFACRW-HZPDHXFCSA-N 2 1 363.510 0.924 20 0 FCADMP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722283 1220952867 /nfs/dbraw/zinc/95/28/67/1220952867.db2.gz FSONWSFDVFACRW-HZPDHXFCSA-N 2 1 363.510 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721252 1220953031 /nfs/dbraw/zinc/95/30/31/1220953031.db2.gz JLGDHCPKHBDGPL-OAGGEKHMSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721252 1220953034 /nfs/dbraw/zinc/95/30/34/1220953034.db2.gz JLGDHCPKHBDGPL-OAGGEKHMSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721252 1220953038 /nfs/dbraw/zinc/95/30/38/1220953038.db2.gz JLGDHCPKHBDGPL-OAGGEKHMSA-N 2 1 364.490 0.161 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103756016 1220965193 /nfs/dbraw/zinc/96/51/93/1220965193.db2.gz VEULGWIOKWUQQI-HZPDHXFCSA-N 2 1 365.526 0.998 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103756016 1220965197 /nfs/dbraw/zinc/96/51/97/1220965197.db2.gz VEULGWIOKWUQQI-HZPDHXFCSA-N 2 1 365.526 0.998 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103756016 1220965200 /nfs/dbraw/zinc/96/52/00/1220965200.db2.gz VEULGWIOKWUQQI-HZPDHXFCSA-N 2 1 365.526 0.998 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103756016 1220965202 /nfs/dbraw/zinc/96/52/02/1220965202.db2.gz VEULGWIOKWUQQI-HZPDHXFCSA-N 2 1 365.526 0.998 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757210 1220966417 /nfs/dbraw/zinc/96/64/17/1220966417.db2.gz QSGACVMRYBSMJF-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757210 1220966420 /nfs/dbraw/zinc/96/64/20/1220966420.db2.gz QSGACVMRYBSMJF-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757210 1220966424 /nfs/dbraw/zinc/96/64/24/1220966424.db2.gz QSGACVMRYBSMJF-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104032277 1221000191 /nfs/dbraw/zinc/00/01/91/1221000191.db2.gz NPJUXMBTCQGVNZ-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104032277 1221000195 /nfs/dbraw/zinc/00/01/95/1221000195.db2.gz NPJUXMBTCQGVNZ-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104185978 1221018379 /nfs/dbraw/zinc/01/83/79/1221018379.db2.gz SCOPUJHOMCMJSX-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751200 1221088836 /nfs/dbraw/zinc/08/88/36/1221088836.db2.gz LRMVFWGFFDYOQN-QKLQHJQFSA-N 2 1 362.518 0.824 20 0 FCADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807932 1221120740 /nfs/dbraw/zinc/12/07/40/1221120740.db2.gz NSIAKPREOOTUEQ-UGSOOPFHSA-N 2 1 370.413 0.114 20 0 FCADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807932 1221120742 /nfs/dbraw/zinc/12/07/42/1221120742.db2.gz NSIAKPREOOTUEQ-UGSOOPFHSA-N 2 1 370.413 0.114 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111903948 1221158878 /nfs/dbraw/zinc/15/88/78/1221158878.db2.gz ZERWBNBHGMMQEK-BXWFABGCSA-N 2 1 359.474 0.831 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111903948 1221158881 /nfs/dbraw/zinc/15/88/81/1221158881.db2.gz ZERWBNBHGMMQEK-BXWFABGCSA-N 2 1 359.474 0.831 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905431 1221160180 /nfs/dbraw/zinc/16/01/80/1221160180.db2.gz BRAQJYKBLZHVAR-BXWFABGCSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905431 1221160183 /nfs/dbraw/zinc/16/01/83/1221160183.db2.gz BRAQJYKBLZHVAR-BXWFABGCSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917093 1221166794 /nfs/dbraw/zinc/16/67/94/1221166794.db2.gz LTIVWWFCQSTLNR-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCCCOC)C2 ZINC001111926648 1221173483 /nfs/dbraw/zinc/17/34/83/1221173483.db2.gz AMIKRHFMFRKLSC-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOC)C2 ZINC001111926648 1221173487 /nfs/dbraw/zinc/17/34/87/1221173487.db2.gz AMIKRHFMFRKLSC-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOC)C2 ZINC001111926648 1221173489 /nfs/dbraw/zinc/17/34/89/1221173489.db2.gz AMIKRHFMFRKLSC-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111938385 1221179847 /nfs/dbraw/zinc/17/98/47/1221179847.db2.gz YUOPJYVWLYROLU-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111938385 1221179848 /nfs/dbraw/zinc/17/98/48/1221179848.db2.gz YUOPJYVWLYROLU-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111938385 1221179849 /nfs/dbraw/zinc/17/98/49/1221179849.db2.gz YUOPJYVWLYROLU-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939447 1221180094 /nfs/dbraw/zinc/18/00/94/1221180094.db2.gz AEZVMXHUDHZGGA-DOXZYTNZSA-N 2 1 366.506 0.202 20 0 FCADMP Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001111949090 1221182159 /nfs/dbraw/zinc/18/21/59/1221182159.db2.gz NJBBZEARVOMWLX-KSSFIOAISA-N 2 1 364.494 0.311 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111947744 1221182448 /nfs/dbraw/zinc/18/24/48/1221182448.db2.gz YMZBFRRFOFIQOE-LPHOPBHVSA-N 2 1 365.522 0.714 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCCOCC)C2 ZINC001111951189 1221182610 /nfs/dbraw/zinc/18/26/10/1221182610.db2.gz XCMRWEASWAVHRN-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCCOCC)C2 ZINC001111951189 1221182614 /nfs/dbraw/zinc/18/26/14/1221182614.db2.gz XCMRWEASWAVHRN-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCCOCC)C2 ZINC001111951189 1221182617 /nfs/dbraw/zinc/18/26/17/1221182617.db2.gz XCMRWEASWAVHRN-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCOCC)C2 ZINC001111951189 1221182624 /nfs/dbraw/zinc/18/26/24/1221182624.db2.gz XCMRWEASWAVHRN-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCCCOC)C2 ZINC001111952510 1221182976 /nfs/dbraw/zinc/18/29/76/1221182976.db2.gz KZXXGFDKKWHRAR-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCCCOC)C2 ZINC001111952510 1221182980 /nfs/dbraw/zinc/18/29/80/1221182980.db2.gz KZXXGFDKKWHRAR-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOC)C2 ZINC001111952510 1221182982 /nfs/dbraw/zinc/18/29/82/1221182982.db2.gz KZXXGFDKKWHRAR-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOC)C2 ZINC001111952510 1221182988 /nfs/dbraw/zinc/18/29/88/1221182988.db2.gz KZXXGFDKKWHRAR-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111984614 1221193809 /nfs/dbraw/zinc/19/38/09/1221193809.db2.gz GKEBGWSEBXFDEI-LPHOPBHVSA-N 2 1 359.474 0.688 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111984614 1221193811 /nfs/dbraw/zinc/19/38/11/1221193811.db2.gz GKEBGWSEBXFDEI-LPHOPBHVSA-N 2 1 359.474 0.688 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291433 1221232755 /nfs/dbraw/zinc/23/27/55/1221232755.db2.gz KLISOHJRDGQGQO-FCEWJHQRSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291433 1221232756 /nfs/dbraw/zinc/23/27/56/1221232756.db2.gz KLISOHJRDGQGQO-FCEWJHQRSA-N 2 1 366.506 0.060 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCC3CC3)C2)C1 ZINC001112291385 1221232804 /nfs/dbraw/zinc/23/28/04/1221232804.db2.gz IOAPGKFYEMKTFS-NSHGMRRFSA-N 2 1 365.518 0.962 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCC3CC3)C2)C1 ZINC001112291385 1221232806 /nfs/dbraw/zinc/23/28/06/1221232806.db2.gz IOAPGKFYEMKTFS-NSHGMRRFSA-N 2 1 365.518 0.962 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001229710217 1226029775 /nfs/dbraw/zinc/02/97/75/1226029775.db2.gz PEDIKIHVJFKGQM-HUUCEWRRSA-N 2 1 365.482 0.103 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3CCNC3=O)CCCCC2)CC[N@H+]1C ZINC001115543374 1221312867 /nfs/dbraw/zinc/31/28/67/1221312867.db2.gz DPHXOGFYYTUPOA-HZPDHXFCSA-N 2 1 365.522 0.761 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001229860734 1226036633 /nfs/dbraw/zinc/03/66/33/1226036633.db2.gz ZYVDTMIATOAWPX-IAGOWNOFSA-N 2 1 368.522 0.640 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001229868179 1226037161 /nfs/dbraw/zinc/03/71/61/1226037161.db2.gz BGHBYHFZVRPVAY-HUUCEWRRSA-N 2 1 367.494 0.287 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCc2ccco2)C1 ZINC001230138019 1226056592 /nfs/dbraw/zinc/05/65/92/1226056592.db2.gz CEBFWGDTOZJNNE-DJIMGWMZSA-N 2 1 362.474 0.865 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001117854488 1221632119 /nfs/dbraw/zinc/63/21/19/1221632119.db2.gz RKTMRGMLCFWUQC-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001117854488 1221632124 /nfs/dbraw/zinc/63/21/24/1221632124.db2.gz RKTMRGMLCFWUQC-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001117854488 1221632130 /nfs/dbraw/zinc/63/21/30/1221632130.db2.gz RKTMRGMLCFWUQC-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)CC[NH+](C)C ZINC001117854488 1221632133 /nfs/dbraw/zinc/63/21/33/1221632133.db2.gz RKTMRGMLCFWUQC-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)CC[NH+](C)C ZINC001117854488 1221632139 /nfs/dbraw/zinc/63/21/39/1221632139.db2.gz RKTMRGMLCFWUQC-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001117854489 1221632501 /nfs/dbraw/zinc/63/25/01/1221632501.db2.gz RKTMRGMLCFWUQC-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117854489 1221632506 /nfs/dbraw/zinc/63/25/06/1221632506.db2.gz RKTMRGMLCFWUQC-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001117854489 1221632510 /nfs/dbraw/zinc/63/25/10/1221632510.db2.gz RKTMRGMLCFWUQC-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)CC[NH+](C)C ZINC001117854489 1221632513 /nfs/dbraw/zinc/63/25/13/1221632513.db2.gz RKTMRGMLCFWUQC-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)CC[NH+](C)C ZINC001117854489 1221632517 /nfs/dbraw/zinc/63/25/17/1221632517.db2.gz RKTMRGMLCFWUQC-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001230138161 1226057348 /nfs/dbraw/zinc/05/73/48/1226057348.db2.gz IHTCQDZDAMYEMN-RRFJBIMHSA-N 2 1 363.462 0.890 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171380 1226059951 /nfs/dbraw/zinc/05/99/51/1226059951.db2.gz FFVNPPFOMXYJEI-HZPDHXFCSA-N 2 1 363.510 0.993 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)CC1 ZINC001118273021 1221748536 /nfs/dbraw/zinc/74/85/36/1221748536.db2.gz PEFDIVYCRHXPOV-KRWDZBQOSA-N 2 1 367.538 0.058 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC001119417413 1221914605 /nfs/dbraw/zinc/91/46/05/1221914605.db2.gz PQGOCHSNCCNSGY-CZIWCDLHSA-N 2 1 358.486 0.793 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001119429689 1221917185 /nfs/dbraw/zinc/91/71/85/1221917185.db2.gz XLMPKOVGBDXDKV-QZTJIDSGSA-N 2 1 356.470 0.514 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)CC1 ZINC001121920252 1222223466 /nfs/dbraw/zinc/22/34/66/1222223466.db2.gz HYBVXHCDUPENDK-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP [NH3+]CCCn1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001121927230 1222225208 /nfs/dbraw/zinc/22/52/08/1222225208.db2.gz AXRVYYVHIZKBAN-UHFFFAOYSA-N 2 1 356.474 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)cc2)C[C@H](C)O1 ZINC001122107740 1222241492 /nfs/dbraw/zinc/24/14/92/1222241492.db2.gz BMSJGLTWDRYDSE-QEEYODRMSA-N 2 1 372.469 0.905 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)cc2)C[C@H](C)O1 ZINC001122107740 1222241495 /nfs/dbraw/zinc/24/14/95/1222241495.db2.gz BMSJGLTWDRYDSE-QEEYODRMSA-N 2 1 372.469 0.905 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122521716 1222279723 /nfs/dbraw/zinc/27/97/23/1222279723.db2.gz QLCRYRDLGRRASR-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001123696010 1222351492 /nfs/dbraw/zinc/35/14/92/1222351492.db2.gz YYZQKDCRTGEDDT-SOLBZPMBSA-N 2 1 360.506 0.936 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC001123775320 1222356427 /nfs/dbraw/zinc/35/64/27/1222356427.db2.gz UFLBWXXAJSPTBT-GSEOLPGOSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001123775320 1222356433 /nfs/dbraw/zinc/35/64/33/1222356433.db2.gz UFLBWXXAJSPTBT-GSEOLPGOSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001123775320 1222356435 /nfs/dbraw/zinc/35/64/35/1222356435.db2.gz UFLBWXXAJSPTBT-GSEOLPGOSA-N 2 1 372.513 0.374 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ncccc3O)CC2)C1 ZINC001138392798 1222504576 /nfs/dbraw/zinc/50/45/76/1222504576.db2.gz MPIYIRWCPQUXGP-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138466684 1222510540 /nfs/dbraw/zinc/51/05/40/1222510540.db2.gz QROBRFTXNGDBSI-HUUCEWRRSA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138466684 1222510542 /nfs/dbraw/zinc/51/05/42/1222510542.db2.gz QROBRFTXNGDBSI-HUUCEWRRSA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138466684 1222510544 /nfs/dbraw/zinc/51/05/44/1222510544.db2.gz QROBRFTXNGDBSI-HUUCEWRRSA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138466684 1222510547 /nfs/dbraw/zinc/51/05/47/1222510547.db2.gz QROBRFTXNGDBSI-HUUCEWRRSA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138466684 1222510548 /nfs/dbraw/zinc/51/05/48/1222510548.db2.gz QROBRFTXNGDBSI-HUUCEWRRSA-N 2 1 358.446 0.884 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001139468413 1222551540 /nfs/dbraw/zinc/55/15/40/1222551540.db2.gz YWBNCJVJABKFFF-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001139468413 1222551545 /nfs/dbraw/zinc/55/15/45/1222551545.db2.gz YWBNCJVJABKFFF-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598646 1222581443 /nfs/dbraw/zinc/58/14/43/1222581443.db2.gz FMJRLKNRKDWEBS-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598646 1222581447 /nfs/dbraw/zinc/58/14/47/1222581447.db2.gz FMJRLKNRKDWEBS-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598646 1222581454 /nfs/dbraw/zinc/58/14/54/1222581454.db2.gz FMJRLKNRKDWEBS-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598646 1222581456 /nfs/dbraw/zinc/58/14/56/1222581456.db2.gz FMJRLKNRKDWEBS-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755940 1222587411 /nfs/dbraw/zinc/58/74/11/1222587411.db2.gz UBILMNCGGMOOOY-YYIAUSFCSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755940 1222587417 /nfs/dbraw/zinc/58/74/17/1222587417.db2.gz UBILMNCGGMOOOY-YYIAUSFCSA-N 2 1 368.522 0.543 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccn4ccnc4c3)CC[C@@H]2C1 ZINC001141043790 1222628346 /nfs/dbraw/zinc/62/83/46/1222628346.db2.gz LNLRADAWBKVLPJ-QZTJIDSGSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccn4ccnc4c3)CC[C@@H]2C1 ZINC001141043790 1222628351 /nfs/dbraw/zinc/62/83/51/1222628351.db2.gz LNLRADAWBKVLPJ-QZTJIDSGSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccn4ccnc4c3)CC[C@@H]2C1 ZINC001141043790 1222628354 /nfs/dbraw/zinc/62/83/54/1222628354.db2.gz LNLRADAWBKVLPJ-QZTJIDSGSA-N 2 1 371.485 0.945 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149964 1226142027 /nfs/dbraw/zinc/14/20/27/1226142027.db2.gz NJKAPHDPINTNHI-LJQANCHMSA-N 2 1 362.449 0.810 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149964 1226142032 /nfs/dbraw/zinc/14/20/32/1226142032.db2.gz NJKAPHDPINTNHI-LJQANCHMSA-N 2 1 362.449 0.810 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C2CC2)n1 ZINC001277620498 1226142086 /nfs/dbraw/zinc/14/20/86/1226142086.db2.gz JIRUOSJRBBEHFL-IBGZPJMESA-N 2 1 361.490 0.662 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)C1 ZINC000841024063 1222805717 /nfs/dbraw/zinc/80/57/17/1222805717.db2.gz PPESZDOVASZBLU-LBPRGKRZSA-N 2 1 371.407 0.818 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000841166288 1222811557 /nfs/dbraw/zinc/81/15/57/1222811557.db2.gz NQBQMWRTTFVTRF-UHFFFAOYSA-N 2 1 359.474 0.635 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000842164318 1222838718 /nfs/dbraw/zinc/83/87/18/1222838718.db2.gz WAAWQJPXURMHSC-HNNXBMFYSA-N 2 1 358.446 0.826 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164387 1222838977 /nfs/dbraw/zinc/83/89/77/1222838977.db2.gz JMFSSCCKOVRZPX-SJORKVTESA-N 2 1 366.506 0.394 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188841 1222839379 /nfs/dbraw/zinc/83/93/79/1222839379.db2.gz LAUWTVVRKHISLW-FQEVSTJZSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188520 1222839420 /nfs/dbraw/zinc/83/94/20/1222839420.db2.gz HCRBYUYTMKKEER-HXUWFJFHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191068 1222839639 /nfs/dbraw/zinc/83/96/39/1222839639.db2.gz WOGOSRUYXWDUOO-PXNSSMCTSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000842478775 1222848116 /nfs/dbraw/zinc/84/81/16/1222848116.db2.gz PBXZVWMUUFHQSP-KBPBESRZSA-N 2 1 365.478 0.579 20 0 FCADMP C[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C[NH3+] ZINC000842478780 1222848178 /nfs/dbraw/zinc/84/81/78/1222848178.db2.gz PBXZVWMUUFHQSP-UONOGXRCSA-N 2 1 365.478 0.579 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000843253640 1222865391 /nfs/dbraw/zinc/86/53/91/1222865391.db2.gz ZEJRMCGBASRIQQ-CALCHBBNSA-N 2 1 370.538 0.744 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000843253640 1222865393 /nfs/dbraw/zinc/86/53/93/1222865393.db2.gz ZEJRMCGBASRIQQ-CALCHBBNSA-N 2 1 370.538 0.744 20 0 FCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843345930 1222871167 /nfs/dbraw/zinc/87/11/67/1222871167.db2.gz GPHDAHFKMKHNRV-AWEZNQCLSA-N 2 1 365.478 0.594 20 0 FCADMP CN1CC[NH+](CCC(=O)NCC[N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC001143237170 1222872588 /nfs/dbraw/zinc/87/25/88/1222872588.db2.gz HSCSHOOOMDVFJW-UHFFFAOYSA-N 2 1 371.526 0.197 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCC([NH3+])CC1 ZINC000843355187 1222872648 /nfs/dbraw/zinc/87/26/48/1222872648.db2.gz UVPLEVFKDDTZRA-OFLPRAFFSA-N 2 1 366.506 0.428 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)NC(=O)N[C@@H]1C ZINC000843389359 1222875283 /nfs/dbraw/zinc/87/52/83/1222875283.db2.gz QFCQQUSYCGZYEA-KFNAQCHYSA-N 2 1 366.462 0.333 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001151137968 1222916988 /nfs/dbraw/zinc/91/69/88/1222916988.db2.gz PIHCJTPZTYDMHX-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001151137968 1222916991 /nfs/dbraw/zinc/91/69/91/1222916991.db2.gz PIHCJTPZTYDMHX-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001277712571 1226168936 /nfs/dbraw/zinc/16/89/36/1226168936.db2.gz JWVJDENMCYKGSJ-UYAOXDASSA-N 2 1 366.550 0.852 20 0 FCADMP CC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001277712571 1226168937 /nfs/dbraw/zinc/16/89/37/1226168937.db2.gz JWVJDENMCYKGSJ-UYAOXDASSA-N 2 1 366.550 0.852 20 0 FCADMP CC[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001277712571 1226168939 /nfs/dbraw/zinc/16/89/39/1226168939.db2.gz JWVJDENMCYKGSJ-UYAOXDASSA-N 2 1 366.550 0.852 20 0 FCADMP Nc1ccc[nH+]c1N1CCN(c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001154787814 1223018694 /nfs/dbraw/zinc/01/86/94/1223018694.db2.gz SYLJLJIGLJVVDG-UHFFFAOYSA-N 2 1 355.446 0.911 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001155381333 1223034441 /nfs/dbraw/zinc/03/44/41/1223034441.db2.gz FLFYBWQOJBJIEH-INIZCTEOSA-N 2 1 374.489 0.245 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(N[C@@H]3COCCC34C[NH2+]C4)n2)CC1 ZINC001155469720 1223036018 /nfs/dbraw/zinc/03/60/18/1223036018.db2.gz OYQSHOGBNUHYEX-CQSZACIVSA-N 2 1 361.446 0.656 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198165 1223090533 /nfs/dbraw/zinc/09/05/33/1223090533.db2.gz ADKQAJNRVOXANT-XWTMOSNGSA-N 2 1 357.454 0.870 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCCNCc1nncn1C ZINC001158249489 1223091932 /nfs/dbraw/zinc/09/19/32/1223091932.db2.gz JDTSVAARCIRQIM-HUUCEWRRSA-N 2 1 357.462 0.579 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C ZINC001158412645 1223097205 /nfs/dbraw/zinc/09/72/05/1223097205.db2.gz SMRNOUHSBSCJFJ-LSDHHAIUSA-N 2 1 364.494 0.493 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421221 1223097340 /nfs/dbraw/zinc/09/73/40/1223097340.db2.gz CZUBFDIYVDOKOL-BSDSXHPESA-N 2 1 357.454 0.870 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421224 1223097634 /nfs/dbraw/zinc/09/76/34/1223097634.db2.gz CZUBFDIYVDOKOL-XWTMOSNGSA-N 2 1 357.454 0.870 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533301 1223101767 /nfs/dbraw/zinc/10/17/67/1223101767.db2.gz JZHLWNNNGRVSPZ-QQTQMKHKSA-N 3 1 362.518 0.430 20 0 FCADMP C[NH+]1CCC(N(c2ccnc(N3CC[NH+](C)CC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158589836 1223103030 /nfs/dbraw/zinc/10/30/30/1223103030.db2.gz ZUOTUNZQDJZQEX-UHFFFAOYSA-N 3 1 373.549 0.881 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158735225 1223105924 /nfs/dbraw/zinc/10/59/24/1223105924.db2.gz SACLXAMRUBLYTR-LNLFQRSKSA-N 2 1 360.458 0.560 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC001158890690 1223112423 /nfs/dbraw/zinc/11/24/23/1223112423.db2.gz KAGHYEKMXGTBDT-SFHVURJKSA-N 2 1 370.497 0.904 20 0 FCADMP CCOC(=O)c1c2c(nn1C)CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001159072627 1223116844 /nfs/dbraw/zinc/11/68/44/1223116844.db2.gz NLBAMBTVYPTLSO-UHFFFAOYSA-N 2 1 371.445 0.835 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001159125112 1223117741 /nfs/dbraw/zinc/11/77/41/1223117741.db2.gz UHBFJOAYJVWDGP-IBGZPJMESA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001159125112 1223117742 /nfs/dbraw/zinc/11/77/42/1223117742.db2.gz UHBFJOAYJVWDGP-IBGZPJMESA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C2)C1 ZINC001159126267 1223117918 /nfs/dbraw/zinc/11/79/18/1223117918.db2.gz NEXUNKWURLKFRH-DNVCBOLYSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C2)C1 ZINC001159126267 1223117920 /nfs/dbraw/zinc/11/79/20/1223117920.db2.gz NEXUNKWURLKFRH-DNVCBOLYSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2)C1 ZINC001159125328 1223117955 /nfs/dbraw/zinc/11/79/55/1223117955.db2.gz URTGZSTVIICKDV-JTDSTZFVSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2)C1 ZINC001159125328 1223117957 /nfs/dbraw/zinc/11/79/57/1223117957.db2.gz URTGZSTVIICKDV-JTDSTZFVSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccc([C@@H]([NH3+])CN)cc2)C1 ZINC001159134817 1223118684 /nfs/dbraw/zinc/11/86/84/1223118684.db2.gz PTMXVYMYHNAPSC-YOEHRIQHSA-N 2 1 356.474 0.675 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160207 1223119451 /nfs/dbraw/zinc/11/94/51/1223119451.db2.gz FKRVIAFXYZKRRU-MRXNPFEDSA-N 2 1 357.462 0.157 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N(c1cccc(C)c1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001159339722 1223125259 /nfs/dbraw/zinc/12/52/59/1223125259.db2.gz QQQUOGHJWASMHI-AOIWGVFYSA-N 2 1 361.442 0.739 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(NCCOCCOCC[NH3+])n2)CC1 ZINC001159445644 1223127329 /nfs/dbraw/zinc/12/73/29/1223127329.db2.gz QKFGOBBWLQOLOH-UHFFFAOYSA-N 2 1 367.450 0.270 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001159472578 1223127776 /nfs/dbraw/zinc/12/77/76/1223127776.db2.gz WHRCQDKOFZNPFL-ONCXSQPRSA-N 2 1 362.518 0.145 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001159481446 1223128042 /nfs/dbraw/zinc/12/80/42/1223128042.db2.gz PRXUJNGYGDFPRI-QWFCFKBJSA-N 3 1 364.534 0.520 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159573695 1223129932 /nfs/dbraw/zinc/12/99/32/1223129932.db2.gz DINKOHVVDCASLF-HNNXBMFYSA-N 3 1 369.473 0.042 20 0 FCADMP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001159608181 1223131238 /nfs/dbraw/zinc/13/12/38/1223131238.db2.gz GLWILLDBMDHKOY-CYBMUJFWSA-N 2 1 374.489 0.261 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)[C@@H]2C ZINC001159632817 1223131404 /nfs/dbraw/zinc/13/14/04/1223131404.db2.gz AIRXYZKAGDLINJ-YQFWSFKMSA-N 2 1 360.506 0.576 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)[C@@H]2C ZINC001159634590 1223131798 /nfs/dbraw/zinc/13/17/98/1223131798.db2.gz ZUHDHWHQTYWVMD-ZBFHGGJFSA-N 3 1 360.506 0.436 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001159665260 1223133220 /nfs/dbraw/zinc/13/32/20/1223133220.db2.gz INWQNXWPRUMQAM-FHWLQOOXSA-N 3 1 373.501 0.210 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159797940 1223136490 /nfs/dbraw/zinc/13/64/90/1223136490.db2.gz LJVJUZKJQADOJU-HNNXBMFYSA-N 2 1 357.462 0.080 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001159929695 1223139953 /nfs/dbraw/zinc/13/99/53/1223139953.db2.gz JDAKCCMVKQOYKA-AJYBTWMASA-N 2 1 364.534 0.772 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001159929695 1223139955 /nfs/dbraw/zinc/13/99/55/1223139955.db2.gz JDAKCCMVKQOYKA-AJYBTWMASA-N 2 1 364.534 0.772 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156041 1223146987 /nfs/dbraw/zinc/14/69/87/1223146987.db2.gz NGOPMOKTDBWXLL-LLLHUVSDSA-N 2 1 366.506 0.186 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001160421614 1223158898 /nfs/dbraw/zinc/15/88/98/1223158898.db2.gz CEIKVMPNZMYLRZ-CSQLCUNESA-N 2 1 357.502 0.830 20 0 FCADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001160421614 1223158904 /nfs/dbraw/zinc/15/89/04/1223158904.db2.gz CEIKVMPNZMYLRZ-CSQLCUNESA-N 2 1 357.502 0.830 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001160421614 1223158907 /nfs/dbraw/zinc/15/89/07/1223158907.db2.gz CEIKVMPNZMYLRZ-CSQLCUNESA-N 2 1 357.502 0.830 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585939 1223165190 /nfs/dbraw/zinc/16/51/90/1223165190.db2.gz UROLCUUAPPCYQV-AWEZNQCLSA-N 2 1 354.414 0.136 20 0 FCADMP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160709649 1223169369 /nfs/dbraw/zinc/16/93/69/1223169369.db2.gz HRMITOHLYKRTHZ-GHTZIAJQSA-N 2 1 354.498 0.987 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc([C@@H]([NH3+])CN)cc3)C[C@H]1C2 ZINC001160800241 1223173665 /nfs/dbraw/zinc/17/36/65/1223173665.db2.gz RJLSSABPKPZLDQ-SUFIHLRJSA-N 2 1 372.469 0.116 20 0 FCADMP CCOC(=O)[C@]12CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C[C@H]1C[NH2+]CC2 ZINC001160819466 1223175959 /nfs/dbraw/zinc/17/59/59/1223175959.db2.gz FFMGINYKVQXDHM-KZULUSFZSA-N 2 1 357.414 0.760 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160904446 1223180540 /nfs/dbraw/zinc/18/05/40/1223180540.db2.gz GIOXUOXIAPXJAU-UHFFFAOYSA-N 2 1 370.457 0.297 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958614 1223181489 /nfs/dbraw/zinc/18/14/89/1223181489.db2.gz BJNPBNXIXXPTBO-UQOMUDLDSA-N 2 1 358.446 0.211 20 0 FCADMP O=C([C@H]1[NH2+][C@H]2CC[C@@H]1C2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196400 1223188758 /nfs/dbraw/zinc/18/87/58/1223188758.db2.gz GESAJLBNCIGERN-QYZOEREBSA-N 3 1 364.534 0.677 20 0 FCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196817 1223188893 /nfs/dbraw/zinc/18/88/93/1223188893.db2.gz SGNXGKLKWCRJDK-IEBWSBKVSA-N 3 1 366.550 0.925 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161252243 1223192084 /nfs/dbraw/zinc/19/20/84/1223192084.db2.gz GMQOLMVMURQAOO-UHFFFAOYSA-N 2 1 362.449 0.888 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386934 1223197772 /nfs/dbraw/zinc/19/77/72/1223197772.db2.gz NPMFZVWDVIADOA-MRXNPFEDSA-N 2 1 364.469 0.056 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161445048 1223199878 /nfs/dbraw/zinc/19/98/78/1223199878.db2.gz MOGBBDTWSSFZJA-IEBWSBKVSA-N 4 1 365.566 0.593 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510339 1223202415 /nfs/dbraw/zinc/20/24/15/1223202415.db2.gz NOKRXSBNDGKIRP-GVDBMIGSSA-N 2 1 373.453 0.094 20 0 FCADMP [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2ncnc3c2C[NH2+]C3)CC1 ZINC001161525392 1223203336 /nfs/dbraw/zinc/20/33/36/1223203336.db2.gz GQULOXHPWGKMHE-UHFFFAOYSA-N 2 1 352.442 0.694 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596772 1223205582 /nfs/dbraw/zinc/20/55/82/1223205582.db2.gz AZNJCZJGIQQEPZ-SFHVURJKSA-N 2 1 357.502 0.358 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)CC1 ZINC001163137450 1223227253 /nfs/dbraw/zinc/22/72/53/1223227253.db2.gz KNHNNFZBHVHIAR-KBRIMQKVSA-N 2 1 354.458 0.780 20 0 FCADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163163725 1223227698 /nfs/dbraw/zinc/22/76/98/1223227698.db2.gz LCKLYMWYQDIQSC-ZACQAIPSSA-N 3 1 360.506 0.997 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001165727513 1223254816 /nfs/dbraw/zinc/25/48/16/1223254816.db2.gz BYYFGZRZFBAJNR-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001165727513 1223254819 /nfs/dbraw/zinc/25/48/19/1223254819.db2.gz BYYFGZRZFBAJNR-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cnc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1C1C[NH2+]C1 ZINC001165971493 1223264228 /nfs/dbraw/zinc/26/42/28/1223264228.db2.gz QXIIRNOIVNHVFS-UHFFFAOYSA-N 2 1 364.457 0.976 20 0 FCADMP Cc1cncc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001203168277 1223292292 /nfs/dbraw/zinc/29/22/92/1223292292.db2.gz RKRNGXQOBDLMGF-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP Cc1cncc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001203168277 1223292294 /nfs/dbraw/zinc/29/22/94/1223292294.db2.gz RKRNGXQOBDLMGF-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001205226293 1223317999 /nfs/dbraw/zinc/31/79/99/1223317999.db2.gz ORUKJJNZUVGGGO-QXAKKESOSA-N 2 1 363.502 0.781 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001205226293 1223318001 /nfs/dbraw/zinc/31/80/01/1223318001.db2.gz ORUKJJNZUVGGGO-QXAKKESOSA-N 2 1 363.502 0.781 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001205226293 1223318003 /nfs/dbraw/zinc/31/80/03/1223318003.db2.gz ORUKJJNZUVGGGO-QXAKKESOSA-N 2 1 363.502 0.781 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334037 1223320033 /nfs/dbraw/zinc/32/00/33/1223320033.db2.gz AEWBLFGGSQNFSO-NVXWUHKLSA-N 2 1 367.538 0.862 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205452393 1223324471 /nfs/dbraw/zinc/32/44/71/1223324471.db2.gz DEUHSUFKVCGESK-XOKHGSTOSA-N 2 1 364.465 0.925 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001205518903 1223330015 /nfs/dbraw/zinc/33/00/15/1223330015.db2.gz OVMWLPTZYWYECB-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001205518903 1223330019 /nfs/dbraw/zinc/33/00/19/1223330019.db2.gz OVMWLPTZYWYECB-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001205518701 1223330077 /nfs/dbraw/zinc/33/00/77/1223330077.db2.gz IGYWWGXFMUZLFZ-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001205518701 1223330079 /nfs/dbraw/zinc/33/00/79/1223330079.db2.gz IGYWWGXFMUZLFZ-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP Cn1cccc1C(=O)NCc1cn2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207434927 1223446368 /nfs/dbraw/zinc/44/63/68/1223446368.db2.gz AEYPFGNXKWFBAS-UHFFFAOYSA-N 2 1 356.474 0.967 20 0 FCADMP Cn1cccc1C(=O)NCc1cn2c(n1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207434927 1223446371 /nfs/dbraw/zinc/44/63/71/1223446371.db2.gz AEYPFGNXKWFBAS-UHFFFAOYSA-N 2 1 356.474 0.967 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435333 1223446411 /nfs/dbraw/zinc/44/64/11/1223446411.db2.gz LFQOWHABDQTIHZ-FQEVSTJZSA-N 2 1 371.485 0.721 20 0 FCADMP O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436396 1223446625 /nfs/dbraw/zinc/44/66/25/1223446625.db2.gz BBTWJTJRFPYQRU-SZMVWBNQSA-N 2 1 359.474 0.685 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@@H+](CC4CC[NH2+]CC4)C[C@@H]32)cn1 ZINC001207437771 1223446902 /nfs/dbraw/zinc/44/69/02/1223446902.db2.gz ZCWUYHOITLBVPU-RYQLBKOJSA-N 2 1 361.490 0.486 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207547138 1223454190 /nfs/dbraw/zinc/45/41/90/1223454190.db2.gz MENQZUHWNDCSGF-QBIMZIAESA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207547138 1223454192 /nfs/dbraw/zinc/45/41/92/1223454192.db2.gz MENQZUHWNDCSGF-QBIMZIAESA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550648 1223454925 /nfs/dbraw/zinc/45/49/25/1223454925.db2.gz DKSQPARKJNMMHA-FVQBIDKESA-N 2 1 367.538 0.861 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550648 1223454927 /nfs/dbraw/zinc/45/49/27/1223454927.db2.gz DKSQPARKJNMMHA-FVQBIDKESA-N 2 1 367.538 0.861 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617546 1223461674 /nfs/dbraw/zinc/46/16/74/1223461674.db2.gz VGOJNGJYHUFBNB-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617546 1223461677 /nfs/dbraw/zinc/46/16/77/1223461677.db2.gz VGOJNGJYHUFBNB-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207617546 1223461679 /nfs/dbraw/zinc/46/16/79/1223461679.db2.gz VGOJNGJYHUFBNB-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207617546 1223461683 /nfs/dbraw/zinc/46/16/83/1223461683.db2.gz VGOJNGJYHUFBNB-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001207758059 1223477102 /nfs/dbraw/zinc/47/71/02/1223477102.db2.gz SRAXHZMLHAIDPS-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001207758059 1223477103 /nfs/dbraw/zinc/47/71/03/1223477103.db2.gz SRAXHZMLHAIDPS-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001207758059 1223477107 /nfs/dbraw/zinc/47/71/07/1223477107.db2.gz SRAXHZMLHAIDPS-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001207758059 1223477110 /nfs/dbraw/zinc/47/71/10/1223477110.db2.gz SRAXHZMLHAIDPS-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859764 1223487163 /nfs/dbraw/zinc/48/71/63/1223487163.db2.gz WQZUBFGNDWJTCC-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036483 1223508047 /nfs/dbraw/zinc/50/80/47/1223508047.db2.gz MKOQCOMXBXYBIK-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036483 1223508051 /nfs/dbraw/zinc/50/80/51/1223508051.db2.gz MKOQCOMXBXYBIK-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036483 1223508054 /nfs/dbraw/zinc/50/80/54/1223508054.db2.gz MKOQCOMXBXYBIK-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001208070363 1223513204 /nfs/dbraw/zinc/51/32/04/1223513204.db2.gz KGQMIFDAYBRNPB-RBSFLKMASA-N 2 1 360.462 0.336 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281296 1223529760 /nfs/dbraw/zinc/52/97/60/1223529760.db2.gz BEFNOXKZYSCIRA-IXDOHACOSA-N 2 1 371.522 0.321 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410684 1223540617 /nfs/dbraw/zinc/54/06/17/1223540617.db2.gz CBABVBWIAYGIOJ-DJIMGWMZSA-N 2 1 368.522 0.591 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410684 1223540622 /nfs/dbraw/zinc/54/06/22/1223540622.db2.gz CBABVBWIAYGIOJ-DJIMGWMZSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441309 1223545948 /nfs/dbraw/zinc/54/59/48/1223545948.db2.gz FDAMMLWYISLPSY-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441309 1223545955 /nfs/dbraw/zinc/54/59/55/1223545955.db2.gz FDAMMLWYISLPSY-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495873 1223550855 /nfs/dbraw/zinc/55/08/55/1223550855.db2.gz BBFSYERDIXEGMK-BFYDXBDKSA-N 2 1 367.465 0.954 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495966 1223551357 /nfs/dbraw/zinc/55/13/57/1223551357.db2.gz FEPACKHNPKXQIQ-RHSMWYFYSA-N 2 1 364.465 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495966 1223551359 /nfs/dbraw/zinc/55/13/59/1223551359.db2.gz FEPACKHNPKXQIQ-RHSMWYFYSA-N 2 1 364.465 0.830 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610628 1223562200 /nfs/dbraw/zinc/56/22/00/1223562200.db2.gz RIXDDPQJGOUTNA-QBPKDAKJSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610628 1223562206 /nfs/dbraw/zinc/56/22/06/1223562206.db2.gz RIXDDPQJGOUTNA-QBPKDAKJSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610628 1223562212 /nfs/dbraw/zinc/56/22/12/1223562212.db2.gz RIXDDPQJGOUTNA-QBPKDAKJSA-N 2 1 359.474 0.951 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612064 1223563894 /nfs/dbraw/zinc/56/38/94/1223563894.db2.gz DUZMUOAUMCMKJH-XGXHKWSGSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612064 1223563902 /nfs/dbraw/zinc/56/39/02/1223563902.db2.gz DUZMUOAUMCMKJH-XGXHKWSGSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612064 1223563908 /nfs/dbraw/zinc/56/39/08/1223563908.db2.gz DUZMUOAUMCMKJH-XGXHKWSGSA-N 2 1 373.501 0.885 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613364 1223564048 /nfs/dbraw/zinc/56/40/48/1223564048.db2.gz MWHSCRGHSAXSIB-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613364 1223564051 /nfs/dbraw/zinc/56/40/51/1223564051.db2.gz MWHSCRGHSAXSIB-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613364 1223564054 /nfs/dbraw/zinc/56/40/54/1223564054.db2.gz MWHSCRGHSAXSIB-LSTDLKDCSA-N 2 1 373.501 0.885 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646034 1223566634 /nfs/dbraw/zinc/56/66/34/1223566634.db2.gz BVNGMYUWMGSCAY-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208646034 1223566639 /nfs/dbraw/zinc/56/66/39/1223566639.db2.gz BVNGMYUWMGSCAY-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208646034 1223566643 /nfs/dbraw/zinc/56/66/43/1223566643.db2.gz BVNGMYUWMGSCAY-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C)[NH+](C)C ZINC001208699818 1223570307 /nfs/dbraw/zinc/57/03/07/1223570307.db2.gz VKMHXBQQWKHSHH-KFWWJZLASA-N 2 1 365.526 0.747 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C)[NH+](C)C ZINC001208699818 1223570313 /nfs/dbraw/zinc/57/03/13/1223570313.db2.gz VKMHXBQQWKHSHH-KFWWJZLASA-N 2 1 365.526 0.747 20 0 FCADMP COC(=O)[C@H](C)C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208713751 1223571537 /nfs/dbraw/zinc/57/15/37/1223571537.db2.gz GZFSWOQWQYZDKK-OAHLLOKOSA-N 2 1 365.478 0.905 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208713751 1223571541 /nfs/dbraw/zinc/57/15/41/1223571541.db2.gz GZFSWOQWQYZDKK-OAHLLOKOSA-N 2 1 365.478 0.905 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCCCCC(N)=O)C2)C1 ZINC001276608348 1223592308 /nfs/dbraw/zinc/59/23/08/1223592308.db2.gz CMCVVDLXLVMLCY-LJQANCHMSA-N 2 1 368.522 0.535 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(CCCCCC(N)=O)C2)C1 ZINC001276608348 1223592313 /nfs/dbraw/zinc/59/23/13/1223592313.db2.gz CMCVVDLXLVMLCY-LJQANCHMSA-N 2 1 368.522 0.535 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(CCN1CCOCC1)CCC2 ZINC001209289428 1223607893 /nfs/dbraw/zinc/60/78/93/1223607893.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 1 363.506 0.621 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CCN2CCOCC2)CC1 ZINC001209289468 1223608349 /nfs/dbraw/zinc/60/83/49/1223608349.db2.gz CKLFUHWXDPPRGW-RTBURBONSA-N 2 1 364.534 0.726 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001209327695 1223611117 /nfs/dbraw/zinc/61/11/17/1223611117.db2.gz LMSZZYGLBLJCEN-CRAIPNDOSA-N 2 1 363.506 0.921 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCOC[C@]3(CC(=O)N(CC(F)F)C3)C2)CC1 ZINC001276637171 1223614807 /nfs/dbraw/zinc/61/48/07/1223614807.db2.gz XCDVKLXFXPGYDD-GOSISDBHSA-N 2 1 374.476 0.440 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209505960 1223625561 /nfs/dbraw/zinc/62/55/61/1223625561.db2.gz CJCFKDLPUFNWEX-RHSMWYFYSA-N 2 1 364.494 0.054 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209505960 1223625567 /nfs/dbraw/zinc/62/55/67/1223625567.db2.gz CJCFKDLPUFNWEX-RHSMWYFYSA-N 2 1 364.494 0.054 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209770145 1223648340 /nfs/dbraw/zinc/64/83/40/1223648340.db2.gz ZAVBEDMGOXUGAQ-XOKHGSTOSA-N 2 1 359.430 0.325 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209770145 1223648341 /nfs/dbraw/zinc/64/83/41/1223648341.db2.gz ZAVBEDMGOXUGAQ-XOKHGSTOSA-N 2 1 359.430 0.325 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CC(=O)N3CCOCC3)CC2)C1=O ZINC001276675517 1223657985 /nfs/dbraw/zinc/65/79/85/1223657985.db2.gz BIJFUPOZYKCDSF-IBGZPJMESA-N 2 1 366.506 0.111 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210041530 1223663075 /nfs/dbraw/zinc/66/30/75/1223663075.db2.gz SPXPPUQXATUDKQ-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210041530 1223663076 /nfs/dbraw/zinc/66/30/76/1223663076.db2.gz SPXPPUQXATUDKQ-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210041530 1223663077 /nfs/dbraw/zinc/66/30/77/1223663077.db2.gz SPXPPUQXATUDKQ-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP NC(=O)c1cnn(C2CCOCC2)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262809 1223679564 /nfs/dbraw/zinc/67/95/64/1223679564.db2.gz QOHQAEXZBFAXJW-UHFFFAOYSA-N 2 1 371.445 0.882 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315043 1223682310 /nfs/dbraw/zinc/68/23/10/1223682310.db2.gz JPMAIILHUWBICL-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315043 1223682314 /nfs/dbraw/zinc/68/23/14/1223682314.db2.gz JPMAIILHUWBICL-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314582 1223682452 /nfs/dbraw/zinc/68/24/52/1223682452.db2.gz BGXICPROUXGUHO-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314582 1223682455 /nfs/dbraw/zinc/68/24/55/1223682455.db2.gz BGXICPROUXGUHO-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315903 1223682472 /nfs/dbraw/zinc/68/24/72/1223682472.db2.gz YUHCENLXRZNSCQ-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315903 1223682474 /nfs/dbraw/zinc/68/24/74/1223682474.db2.gz YUHCENLXRZNSCQ-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411515 1223689565 /nfs/dbraw/zinc/68/95/65/1223689565.db2.gz FXALARQTBPTZLJ-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411515 1223689567 /nfs/dbraw/zinc/68/95/67/1223689567.db2.gz FXALARQTBPTZLJ-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411511 1223689807 /nfs/dbraw/zinc/68/98/07/1223689807.db2.gz FXALARQTBPTZLJ-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411511 1223689809 /nfs/dbraw/zinc/68/98/09/1223689809.db2.gz FXALARQTBPTZLJ-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210498343 1223694767 /nfs/dbraw/zinc/69/47/67/1223694767.db2.gz LIWMILKMKAKUJH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210498343 1223694771 /nfs/dbraw/zinc/69/47/71/1223694771.db2.gz LIWMILKMKAKUJH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210498343 1223694773 /nfs/dbraw/zinc/69/47/73/1223694773.db2.gz LIWMILKMKAKUJH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210498343 1223694775 /nfs/dbraw/zinc/69/47/75/1223694775.db2.gz LIWMILKMKAKUJH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528712 1223695463 /nfs/dbraw/zinc/69/54/63/1223695463.db2.gz CWUBXXHOMWAQSV-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528712 1223695466 /nfs/dbraw/zinc/69/54/66/1223695466.db2.gz CWUBXXHOMWAQSV-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528712 1223695469 /nfs/dbraw/zinc/69/54/69/1223695469.db2.gz CWUBXXHOMWAQSV-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210529678 1223696396 /nfs/dbraw/zinc/69/63/96/1223696396.db2.gz ZUYXSCDQKZQQRS-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210529678 1223696400 /nfs/dbraw/zinc/69/64/00/1223696400.db2.gz ZUYXSCDQKZQQRS-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210529678 1223696402 /nfs/dbraw/zinc/69/64/02/1223696402.db2.gz ZUYXSCDQKZQQRS-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210529678 1223696405 /nfs/dbraw/zinc/69/64/05/1223696405.db2.gz ZUYXSCDQKZQQRS-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001210538541 1223696627 /nfs/dbraw/zinc/69/66/27/1223696627.db2.gz CWKZRPRXVWHKCW-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001210538541 1223696629 /nfs/dbraw/zinc/69/66/29/1223696629.db2.gz CWKZRPRXVWHKCW-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001210538541 1223696632 /nfs/dbraw/zinc/69/66/32/1223696632.db2.gz CWKZRPRXVWHKCW-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCc3cncn3C)C2)n1 ZINC001210723330 1223704626 /nfs/dbraw/zinc/70/46/26/1223704626.db2.gz KJNVEEMXYQNJSC-CXAGYDPISA-N 2 1 359.478 0.698 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300322 1223733728 /nfs/dbraw/zinc/73/37/28/1223733728.db2.gz KENTXOZLBYAVLL-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300322 1223733733 /nfs/dbraw/zinc/73/37/33/1223733733.db2.gz KENTXOZLBYAVLL-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367612 1223737603 /nfs/dbraw/zinc/73/76/03/1223737603.db2.gz XNWLSAMFWIOOHG-QLFBSQMISA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367612 1223737604 /nfs/dbraw/zinc/73/76/04/1223737604.db2.gz XNWLSAMFWIOOHG-QLFBSQMISA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367612 1223737605 /nfs/dbraw/zinc/73/76/05/1223737605.db2.gz XNWLSAMFWIOOHG-QLFBSQMISA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367612 1223737607 /nfs/dbraw/zinc/73/76/07/1223737607.db2.gz XNWLSAMFWIOOHG-QLFBSQMISA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367374 1223737655 /nfs/dbraw/zinc/73/76/55/1223737655.db2.gz ROOAKJKNRLPQCR-UMVBOHGHSA-N 2 1 367.494 0.140 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367374 1223737656 /nfs/dbraw/zinc/73/76/56/1223737656.db2.gz ROOAKJKNRLPQCR-UMVBOHGHSA-N 2 1 367.494 0.140 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367374 1223737658 /nfs/dbraw/zinc/73/76/58/1223737658.db2.gz ROOAKJKNRLPQCR-UMVBOHGHSA-N 2 1 367.494 0.140 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367374 1223737659 /nfs/dbraw/zinc/73/76/59/1223737659.db2.gz ROOAKJKNRLPQCR-UMVBOHGHSA-N 2 1 367.494 0.140 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369362 1223791166 /nfs/dbraw/zinc/79/11/66/1223791166.db2.gz PPHVHKHNQOBLFM-DJIMGWMZSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369362 1223791169 /nfs/dbraw/zinc/79/11/69/1223791169.db2.gz PPHVHKHNQOBLFM-DJIMGWMZSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399813 1223794785 /nfs/dbraw/zinc/79/47/85/1223794785.db2.gz MGBCMRSSPHCKCS-BFYDXBDKSA-N 2 1 367.494 0.712 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399813 1223794787 /nfs/dbraw/zinc/79/47/87/1223794787.db2.gz MGBCMRSSPHCKCS-BFYDXBDKSA-N 2 1 367.494 0.712 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440216 1223798633 /nfs/dbraw/zinc/79/86/33/1223798633.db2.gz JTHMWIQTCBCVKE-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440216 1223798634 /nfs/dbraw/zinc/79/86/34/1223798634.db2.gz JTHMWIQTCBCVKE-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001213555606 1223813012 /nfs/dbraw/zinc/81/30/12/1223813012.db2.gz WLIXXNCADIPZMY-USXIJHARSA-N 2 1 367.494 0.035 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576552 1223816220 /nfs/dbraw/zinc/81/62/20/1223816220.db2.gz QDXXQCKMVRTAHM-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576552 1223816221 /nfs/dbraw/zinc/81/62/21/1223816221.db2.gz QDXXQCKMVRTAHM-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576552 1223816223 /nfs/dbraw/zinc/81/62/23/1223816223.db2.gz QDXXQCKMVRTAHM-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CC1 ZINC001213580413 1223817488 /nfs/dbraw/zinc/81/74/88/1223817488.db2.gz BEGQKKIZSJGQTG-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CC1 ZINC001213580413 1223817489 /nfs/dbraw/zinc/81/74/89/1223817489.db2.gz BEGQKKIZSJGQTG-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638552 1223825985 /nfs/dbraw/zinc/82/59/85/1223825985.db2.gz UAFDPLAHCLVWAE-QZTJIDSGSA-N 2 1 371.522 0.585 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759769 1223845463 /nfs/dbraw/zinc/84/54/63/1223845463.db2.gz ZSVVTDJMGOMOJN-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765004 1223846053 /nfs/dbraw/zinc/84/60/53/1223846053.db2.gz OTDNHGYWSOWELO-ARFHVFGLSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765004 1223846054 /nfs/dbraw/zinc/84/60/54/1223846054.db2.gz OTDNHGYWSOWELO-ARFHVFGLSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213765004 1223846055 /nfs/dbraw/zinc/84/60/55/1223846055.db2.gz OTDNHGYWSOWELO-ARFHVFGLSA-N 2 1 364.494 0.313 20 0 FCADMP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860292 1223863365 /nfs/dbraw/zinc/86/33/65/1223863365.db2.gz YRHUFJVYJWQXFQ-GVDBMIGSSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860292 1223863366 /nfs/dbraw/zinc/86/33/66/1223863366.db2.gz YRHUFJVYJWQXFQ-GVDBMIGSSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868508 1223865052 /nfs/dbraw/zinc/86/50/52/1223865052.db2.gz YQOZMEZZQSWGTQ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868508 1223865055 /nfs/dbraw/zinc/86/50/55/1223865055.db2.gz YQOZMEZZQSWGTQ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213933636 1223875868 /nfs/dbraw/zinc/87/58/68/1223875868.db2.gz BTFWUQKHQDMWHP-ZACQAIPSSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213933636 1223875870 /nfs/dbraw/zinc/87/58/70/1223875870.db2.gz BTFWUQKHQDMWHP-ZACQAIPSSA-N 2 1 364.494 0.214 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)on1 ZINC001214662102 1223930057 /nfs/dbraw/zinc/93/00/57/1223930057.db2.gz UKCAWPWGRQPENH-NMFUWQPSSA-N 2 1 363.462 0.698 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001214665522 1223930848 /nfs/dbraw/zinc/93/08/48/1223930848.db2.gz DREMGJIUGZFBEK-BZZMCLGOSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214673597 1223931041 /nfs/dbraw/zinc/93/10/41/1223931041.db2.gz GXOYMEDGPNIQMS-WQVCFCJDSA-N 2 1 362.478 0.315 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214673597 1223931043 /nfs/dbraw/zinc/93/10/43/1223931043.db2.gz GXOYMEDGPNIQMS-WQVCFCJDSA-N 2 1 362.478 0.315 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001214780221 1223941736 /nfs/dbraw/zinc/94/17/36/1223941736.db2.gz PWWPYTGPQVNIKU-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214849970 1223947880 /nfs/dbraw/zinc/94/78/80/1223947880.db2.gz MCILYBSJIQPFKP-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214950478 1223958547 /nfs/dbraw/zinc/95/85/47/1223958547.db2.gz SOEFNZLNDGQCGN-MUIFIZLQSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214950478 1223958549 /nfs/dbraw/zinc/95/85/49/1223958549.db2.gz SOEFNZLNDGQCGN-MUIFIZLQSA-N 2 1 366.506 0.010 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C)C1CC1 ZINC001214952734 1223959170 /nfs/dbraw/zinc/95/91/70/1223959170.db2.gz KBOQAKXFWLEZKR-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C)C1CC1 ZINC001214952734 1223959173 /nfs/dbraw/zinc/95/91/73/1223959173.db2.gz KBOQAKXFWLEZKR-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001215156060 1223979036 /nfs/dbraw/zinc/97/90/36/1223979036.db2.gz WCUNRECYUOOKTI-UKRRQHHQSA-N 2 1 364.494 0.726 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)CC2 ZINC001215413534 1223998531 /nfs/dbraw/zinc/99/85/31/1223998531.db2.gz HPBYRSNTJHDGAQ-UKPHBRMFSA-N 2 1 361.490 0.715 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)no1 ZINC001215540029 1224005320 /nfs/dbraw/zinc/00/53/20/1224005320.db2.gz GSWCYSOAVSXTQP-GZBFAFLISA-N 2 1 363.462 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215540986 1224005396 /nfs/dbraw/zinc/00/53/96/1224005396.db2.gz UBBXQLUMKDZUNZ-RRFJBIMHSA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215929533 1224024985 /nfs/dbraw/zinc/02/49/85/1224024985.db2.gz GBAVJJKTHQHVNJ-NVXWUHKLSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001215933985 1224025207 /nfs/dbraw/zinc/02/52/07/1224025207.db2.gz AGSHKUVSCSKPJV-NVXWUHKLSA-N 2 1 364.494 0.254 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215934520 1224025424 /nfs/dbraw/zinc/02/54/24/1224025424.db2.gz WYSBUNFHBVAOCR-GDBMZVCRSA-N 2 1 362.478 0.433 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001215934561 1224025964 /nfs/dbraw/zinc/02/59/64/1224025964.db2.gz YMXLFVHLDRPEHV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)on1 ZINC001216756198 1224069040 /nfs/dbraw/zinc/06/90/40/1224069040.db2.gz WPMPNMFWHZOFBU-BXUZGUMPSA-N 2 1 360.418 0.563 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001216801300 1224073567 /nfs/dbraw/zinc/07/35/67/1224073567.db2.gz LAQGTQHDEDIYPA-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001216801300 1224073568 /nfs/dbraw/zinc/07/35/68/1224073568.db2.gz LAQGTQHDEDIYPA-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001216801959 1224073642 /nfs/dbraw/zinc/07/36/42/1224073642.db2.gz ZLKCUAXYNPXVEM-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001216801959 1224073644 /nfs/dbraw/zinc/07/36/44/1224073644.db2.gz ZLKCUAXYNPXVEM-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001216800663 1224073711 /nfs/dbraw/zinc/07/37/11/1224073711.db2.gz BUKDCYXDLCOBHN-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001216800663 1224073713 /nfs/dbraw/zinc/07/37/13/1224073713.db2.gz BUKDCYXDLCOBHN-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000983929370 1248791440 /nfs/dbraw/zinc/79/14/40/1248791440.db2.gz NODHRBZNENJNMZ-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993324586 1249471126 /nfs/dbraw/zinc/47/11/26/1249471126.db2.gz WOAFZOUSJMIYFV-ZFCANOHDSA-N 2 1 373.501 0.989 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986136 1245316613 /nfs/dbraw/zinc/31/66/13/1245316613.db2.gz GVDXXXVCHDHWEX-RBSFLKMASA-N 2 1 359.426 0.096 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986136 1245316616 /nfs/dbraw/zinc/31/66/16/1245316616.db2.gz GVDXXXVCHDHWEX-RBSFLKMASA-N 2 1 359.426 0.096 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000847500438 1245341303 /nfs/dbraw/zinc/34/13/03/1245341303.db2.gz JCYUZJQALHQTBL-HXUWFJFHSA-N 2 1 374.529 0.927 20 0 FCADMP Cc1cccc(C)c1OC[C@@H](O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849066458 1245391565 /nfs/dbraw/zinc/39/15/65/1245391565.db2.gz CNPUFWMRMFVBHA-KRWDZBQOSA-N 2 1 364.490 0.879 20 0 FCADMP COC(=O)c1ccn(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000888379277 1245445321 /nfs/dbraw/zinc/44/53/21/1245445321.db2.gz PSCFBEMJMSMLHI-UHFFFAOYSA-N 2 1 358.402 0.455 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563228 1245455054 /nfs/dbraw/zinc/45/50/54/1245455054.db2.gz BFKPWNGOTRLXEW-SJORKVTESA-N 2 1 367.538 0.470 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000891597315 1245457240 /nfs/dbraw/zinc/45/72/40/1245457240.db2.gz GXTDZOPSDKDTJQ-KZNAEPCWSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000891597315 1245457244 /nfs/dbraw/zinc/45/72/44/1245457244.db2.gz GXTDZOPSDKDTJQ-KZNAEPCWSA-N 2 1 368.522 0.584 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000911506173 1245502933 /nfs/dbraw/zinc/50/29/33/1245502933.db2.gz IQGMCEBPOBYGIW-DLBZAZTESA-N 2 1 356.470 0.574 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000919517000 1245606591 /nfs/dbraw/zinc/60/65/91/1245606591.db2.gz FVKJTUKLGVLTHS-DLBZAZTESA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000919517000 1245606601 /nfs/dbraw/zinc/60/66/01/1245606601.db2.gz FVKJTUKLGVLTHS-DLBZAZTESA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000919517000 1245606610 /nfs/dbraw/zinc/60/66/10/1245606610.db2.gz FVKJTUKLGVLTHS-DLBZAZTESA-N 2 1 367.538 0.946 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000922342414 1245671232 /nfs/dbraw/zinc/67/12/32/1245671232.db2.gz ZVWBJIVFSVOFRF-QYZOEREBSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000922342414 1245671238 /nfs/dbraw/zinc/67/12/38/1245671238.db2.gz ZVWBJIVFSVOFRF-QYZOEREBSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000922342414 1245671243 /nfs/dbraw/zinc/67/12/43/1245671243.db2.gz ZVWBJIVFSVOFRF-QYZOEREBSA-N 2 1 364.534 0.916 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1(C)C ZINC000922345330 1245672516 /nfs/dbraw/zinc/67/25/16/1245672516.db2.gz CXJLZPIOQDFUNA-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000922345330 1245672522 /nfs/dbraw/zinc/67/25/22/1245672522.db2.gz CXJLZPIOQDFUNA-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1(C)C ZINC000922345330 1245672528 /nfs/dbraw/zinc/67/25/28/1245672528.db2.gz CXJLZPIOQDFUNA-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923318391 1245707314 /nfs/dbraw/zinc/70/73/14/1245707314.db2.gz IVJSNRUZGYCYEY-KURKYZTESA-N 2 1 364.534 0.487 20 0 FCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000923480523 1245725377 /nfs/dbraw/zinc/72/53/77/1245725377.db2.gz ACXHFDXYCWRXSP-KRWDZBQOSA-N 2 1 360.502 0.806 20 0 FCADMP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000925003436 1245737245 /nfs/dbraw/zinc/73/72/45/1245737245.db2.gz UXXXPYZOAJSJOQ-IRXDYDNUSA-N 2 1 358.486 0.998 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000938608902 1245887581 /nfs/dbraw/zinc/88/75/81/1245887581.db2.gz FCEQUYAJXHBFHU-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000939593425 1246099311 /nfs/dbraw/zinc/09/93/11/1246099311.db2.gz PDTNPVWBVCZSBI-FVQBIDKESA-N 2 1 362.474 0.870 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000940310938 1246279511 /nfs/dbraw/zinc/27/95/11/1246279511.db2.gz LIBYEJVLANPXSK-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000940310938 1246279518 /nfs/dbraw/zinc/27/95/18/1246279518.db2.gz LIBYEJVLANPXSK-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217516 1250289845 /nfs/dbraw/zinc/28/98/45/1250289845.db2.gz NPBKJVPQSKTNLI-JFIYKMOQSA-N 2 1 364.534 0.881 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946426284 1247808815 /nfs/dbraw/zinc/80/88/15/1247808815.db2.gz IJWXKTTUYKROKY-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946429829 1247813206 /nfs/dbraw/zinc/81/32/06/1247813206.db2.gz CWAGRUVCYQKPKN-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCCNC4=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946595037 1247907839 /nfs/dbraw/zinc/90/78/39/1247907839.db2.gz GFFIYMJZWZJNAJ-SFFUCWETSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595037 1247907847 /nfs/dbraw/zinc/90/78/47/1247907847.db2.gz GFFIYMJZWZJNAJ-SFFUCWETSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595037 1247907867 /nfs/dbraw/zinc/90/78/67/1247907867.db2.gz GFFIYMJZWZJNAJ-SFFUCWETSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ncnn4C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595300 1247908493 /nfs/dbraw/zinc/90/84/93/1247908493.db2.gz RSGPSAIWCOPHSQ-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ncnn4C)C[C@H]3CC2)CC[N@H+]1C ZINC000946595300 1247908505 /nfs/dbraw/zinc/90/85/05/1247908505.db2.gz RSGPSAIWCOPHSQ-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ncnn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946595300 1247908512 /nfs/dbraw/zinc/90/85/12/1247908512.db2.gz RSGPSAIWCOPHSQ-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ncnn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946595300 1247908520 /nfs/dbraw/zinc/90/85/20/1247908520.db2.gz RSGPSAIWCOPHSQ-WCXIOVBPSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946597675 1247911245 /nfs/dbraw/zinc/91/12/45/1247911245.db2.gz FROMJGCSEVCTCJ-RZFLPCETSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597675 1247911252 /nfs/dbraw/zinc/91/12/52/1247911252.db2.gz FROMJGCSEVCTCJ-RZFLPCETSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597675 1247911263 /nfs/dbraw/zinc/91/12/63/1247911263.db2.gz FROMJGCSEVCTCJ-RZFLPCETSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642359 1247932459 /nfs/dbraw/zinc/93/24/59/1247932459.db2.gz GFVUSTIRADFZEX-BPKGMFCQSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642359 1247932461 /nfs/dbraw/zinc/93/24/61/1247932461.db2.gz GFVUSTIRADFZEX-BPKGMFCQSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642359 1247932464 /nfs/dbraw/zinc/93/24/64/1247932464.db2.gz GFVUSTIRADFZEX-BPKGMFCQSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642359 1247932468 /nfs/dbraw/zinc/93/24/68/1247932468.db2.gz GFVUSTIRADFZEX-BPKGMFCQSA-N 2 1 366.506 0.010 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001327865261 1265445368 /nfs/dbraw/zinc/44/53/68/1265445368.db2.gz XRRSFKMQMWTEFC-GOSISDBHSA-N 2 1 368.522 0.728 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC000972737812 1248125466 /nfs/dbraw/zinc/12/54/66/1248125466.db2.gz JLJRBOOVYMKYBV-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC000972737812 1248125475 /nfs/dbraw/zinc/12/54/75/1248125475.db2.gz JLJRBOOVYMKYBV-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976986277 1248509448 /nfs/dbraw/zinc/50/94/48/1248509448.db2.gz HJMNCBDJGZTRPQ-GVDBMIGSSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1C ZINC000977208559 1248576460 /nfs/dbraw/zinc/57/64/60/1248576460.db2.gz NUTGJUITHMKZHB-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1C ZINC000977208559 1248576469 /nfs/dbraw/zinc/57/64/69/1248576469.db2.gz NUTGJUITHMKZHB-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1C ZINC000977208559 1248576479 /nfs/dbraw/zinc/57/64/79/1248576479.db2.gz NUTGJUITHMKZHB-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828649 1250996684 /nfs/dbraw/zinc/99/66/84/1250996684.db2.gz ZZYFQRUMTVKEFJ-BPLDGKMQSA-N 2 1 361.494 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C(C)(C)C2)CC[N@H+]1C ZINC000995828649 1250996688 /nfs/dbraw/zinc/99/66/88/1250996688.db2.gz ZZYFQRUMTVKEFJ-BPLDGKMQSA-N 2 1 361.494 0.675 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995843270 1251004916 /nfs/dbraw/zinc/00/49/16/1251004916.db2.gz WKPMTCLRAJIUHL-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)ncn1 ZINC000995957013 1251092105 /nfs/dbraw/zinc/09/21/05/1251092105.db2.gz JDLBFGZGHMGKBU-OIISXLGYSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)ncn1 ZINC000995957013 1251092109 /nfs/dbraw/zinc/09/21/09/1251092109.db2.gz JDLBFGZGHMGKBU-OIISXLGYSA-N 2 1 361.490 0.831 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC000996544838 1251377939 /nfs/dbraw/zinc/37/79/39/1251377939.db2.gz LTSQKUPYIRAESY-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)ccc1N1CC[NH+](C)CC1 ZINC001516967608 1265578882 /nfs/dbraw/zinc/57/88/82/1265578882.db2.gz UGVVIFWKGVMMDZ-MRXNPFEDSA-N 2 1 359.474 0.506 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)ccc1N1CC[NH+](C)CC1 ZINC001516967608 1265578885 /nfs/dbraw/zinc/57/88/85/1265578885.db2.gz UGVVIFWKGVMMDZ-MRXNPFEDSA-N 2 1 359.474 0.506 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328606969 1265586225 /nfs/dbraw/zinc/58/62/25/1265586225.db2.gz SUGZHJCHMQTEFP-KRWDZBQOSA-N 2 1 372.517 0.979 20 0 FCADMP CCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997855581 1251727236 /nfs/dbraw/zinc/72/72/36/1251727236.db2.gz NQYAKSZUFCNKSJ-GDBMZVCRSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997855581 1251727255 /nfs/dbraw/zinc/72/72/55/1251727255.db2.gz NQYAKSZUFCNKSJ-GDBMZVCRSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000997857072 1251727368 /nfs/dbraw/zinc/72/73/68/1251727368.db2.gz VRKOHTKQJPWIRK-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000997857072 1251727374 /nfs/dbraw/zinc/72/73/74/1251727374.db2.gz VRKOHTKQJPWIRK-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997885595 1251736263 /nfs/dbraw/zinc/73/62/63/1251736263.db2.gz IAHADERASOILJJ-RANZSIQMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656558 1251941841 /nfs/dbraw/zinc/94/18/41/1251941841.db2.gz TXJBQABFHJYJRH-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998659712 1251943586 /nfs/dbraw/zinc/94/35/86/1251943586.db2.gz QYBQNFRNURYFSD-PMPSAXMXSA-N 2 1 357.458 0.535 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984193 1252015094 /nfs/dbraw/zinc/01/50/94/1252015094.db2.gz QQRGOERPHUXJKZ-AQEOSJORSA-N 2 1 363.506 0.798 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984193 1252015100 /nfs/dbraw/zinc/01/51/00/1252015100.db2.gz QQRGOERPHUXJKZ-AQEOSJORSA-N 2 1 363.506 0.798 20 0 FCADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998988214 1252017378 /nfs/dbraw/zinc/01/73/78/1252017378.db2.gz TURAFXXPJMSWTO-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998988214 1252017386 /nfs/dbraw/zinc/01/73/86/1252017386.db2.gz TURAFXXPJMSWTO-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000999498500 1252127698 /nfs/dbraw/zinc/12/76/98/1252127698.db2.gz VNGLFGUXGFENJL-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000999498500 1252127711 /nfs/dbraw/zinc/12/77/11/1252127711.db2.gz VNGLFGUXGFENJL-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001001698215 1252308166 /nfs/dbraw/zinc/30/81/66/1252308166.db2.gz JUOPBVLLESJJMF-WCXIOVBPSA-N 2 1 360.502 0.957 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001002793571 1252676330 /nfs/dbraw/zinc/67/63/30/1252676330.db2.gz BOQJRBVRYRTUHF-HZMVEIRTSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001002793571 1252676339 /nfs/dbraw/zinc/67/63/39/1252676339.db2.gz BOQJRBVRYRTUHF-HZMVEIRTSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001002793571 1252676351 /nfs/dbraw/zinc/67/63/51/1252676351.db2.gz BOQJRBVRYRTUHF-HZMVEIRTSA-N 2 1 362.518 0.918 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001002792979 1252676853 /nfs/dbraw/zinc/67/68/53/1252676853.db2.gz ZDVJWVCYBFDRRZ-MMNPAVHPSA-N 2 1 371.485 0.961 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001003862190 1253128019 /nfs/dbraw/zinc/12/80/19/1253128019.db2.gz HRTLOZUTHBKLSJ-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC001004211417 1253247214 /nfs/dbraw/zinc/24/72/14/1253247214.db2.gz PXLSTSPKPGIRCH-OAGGEKHMSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001004360301 1253297495 /nfs/dbraw/zinc/29/74/95/1253297495.db2.gz KRPSREJRKYNTNW-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001004360301 1253297498 /nfs/dbraw/zinc/29/74/98/1253297498.db2.gz KRPSREJRKYNTNW-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC[NH+](CC(N)=O)CC1 ZINC001005411369 1253549465 /nfs/dbraw/zinc/54/94/65/1253549465.db2.gz ZNNZVFDVWJGXBD-AEFFLSMTSA-N 2 1 366.506 0.141 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001005416340 1253550122 /nfs/dbraw/zinc/55/01/22/1253550122.db2.gz UKSNGYCUHNDQRR-XHSDSOJGSA-N 2 1 364.490 0.445 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001032410529 1253919122 /nfs/dbraw/zinc/91/91/22/1253919122.db2.gz IKBLMLMNAMCCFV-XFKAJCMBSA-N 2 1 356.470 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001032410529 1253919131 /nfs/dbraw/zinc/91/91/31/1253919131.db2.gz IKBLMLMNAMCCFV-XFKAJCMBSA-N 2 1 356.470 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC001032410529 1253919135 /nfs/dbraw/zinc/91/91/35/1253919135.db2.gz IKBLMLMNAMCCFV-XFKAJCMBSA-N 2 1 356.470 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC001032410529 1253919141 /nfs/dbraw/zinc/91/91/41/1253919141.db2.gz IKBLMLMNAMCCFV-XFKAJCMBSA-N 2 1 356.470 0.911 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842710 1265782841 /nfs/dbraw/zinc/78/28/41/1265782841.db2.gz ZESDSLCMKSESGG-BEFAXECRSA-N 2 1 358.486 0.970 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001329568612 1265784560 /nfs/dbraw/zinc/78/45/60/1265784560.db2.gz JTEYUUQPUCYJKS-MOPGFXCFSA-N 2 1 370.501 0.163 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)O1 ZINC001034674080 1253997826 /nfs/dbraw/zinc/99/78/26/1253997826.db2.gz DCAPYOBNQDCRLZ-YFHUEUNASA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)O1 ZINC001034674080 1253997831 /nfs/dbraw/zinc/99/78/31/1253997831.db2.gz DCAPYOBNQDCRLZ-YFHUEUNASA-N 2 1 363.506 0.699 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001034971614 1254012116 /nfs/dbraw/zinc/01/21/16/1254012116.db2.gz RFOQTZDIOZULEC-QGPMSJSTSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001034971614 1254012127 /nfs/dbraw/zinc/01/21/27/1254012127.db2.gz RFOQTZDIOZULEC-QGPMSJSTSA-N 2 1 362.474 0.890 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055980745 1254091581 /nfs/dbraw/zinc/09/15/81/1254091581.db2.gz QFGXDHFWSQVRKE-GPMSIDNRSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055980745 1254091584 /nfs/dbraw/zinc/09/15/84/1254091584.db2.gz QFGXDHFWSQVRKE-GPMSIDNRSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055980745 1254091586 /nfs/dbraw/zinc/09/15/86/1254091586.db2.gz QFGXDHFWSQVRKE-GPMSIDNRSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062263746 1254257325 /nfs/dbraw/zinc/25/73/25/1254257325.db2.gz SWKFCSLRTICLSX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062263746 1254257335 /nfs/dbraw/zinc/25/73/35/1254257335.db2.gz SWKFCSLRTICLSX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062263746 1254257347 /nfs/dbraw/zinc/25/73/47/1254257347.db2.gz SWKFCSLRTICLSX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062263746 1254257359 /nfs/dbraw/zinc/25/73/59/1254257359.db2.gz SWKFCSLRTICLSX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062348332 1254260288 /nfs/dbraw/zinc/26/02/88/1254260288.db2.gz AGRDJDDJCWOWPL-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062348332 1254260308 /nfs/dbraw/zinc/26/03/08/1254260308.db2.gz AGRDJDDJCWOWPL-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062348332 1254260314 /nfs/dbraw/zinc/26/03/14/1254260314.db2.gz AGRDJDDJCWOWPL-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062348332 1254260318 /nfs/dbraw/zinc/26/03/18/1254260318.db2.gz AGRDJDDJCWOWPL-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC2)O1 ZINC001063365585 1254333466 /nfs/dbraw/zinc/33/34/66/1254333466.db2.gz VTMNJVUKKSYPDB-BMFZPTHFSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC2)O1 ZINC001063365585 1254333479 /nfs/dbraw/zinc/33/34/79/1254333479.db2.gz VTMNJVUKKSYPDB-BMFZPTHFSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063497428 1254354608 /nfs/dbraw/zinc/35/46/08/1254354608.db2.gz RHJHRWIOJCFOHI-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063497428 1254354621 /nfs/dbraw/zinc/35/46/21/1254354621.db2.gz RHJHRWIOJCFOHI-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497428 1254354631 /nfs/dbraw/zinc/35/46/31/1254354631.db2.gz RHJHRWIOJCFOHI-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497428 1254354637 /nfs/dbraw/zinc/35/46/37/1254354637.db2.gz RHJHRWIOJCFOHI-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCCC[NH+](C)C)O1 ZINC001067712477 1254610340 /nfs/dbraw/zinc/61/03/40/1254610340.db2.gz SAWYIDRVCLUOAZ-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCCC[NH+](C)C)O1 ZINC001067712477 1254610349 /nfs/dbraw/zinc/61/03/49/1254610349.db2.gz SAWYIDRVCLUOAZ-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001520304523 1265902433 /nfs/dbraw/zinc/90/24/33/1265902433.db2.gz VUJOQAWYLLTKDJ-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077570845 1254711080 /nfs/dbraw/zinc/71/10/80/1254711080.db2.gz BPRXPUFWGGPFFD-WQANXHIZSA-N 2 1 361.486 0.571 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC[NH+]1C ZINC001077570845 1254711084 /nfs/dbraw/zinc/71/10/84/1254711084.db2.gz BPRXPUFWGGPFFD-WQANXHIZSA-N 2 1 361.486 0.571 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC[NH+]1C ZINC001077570845 1254711094 /nfs/dbraw/zinc/71/10/94/1254711094.db2.gz BPRXPUFWGGPFFD-WQANXHIZSA-N 2 1 361.486 0.571 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679254 1254862792 /nfs/dbraw/zinc/86/27/92/1254862792.db2.gz LMLSUXXTCMHJEA-CGTJXYLNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679254 1254862793 /nfs/dbraw/zinc/86/27/93/1254862793.db2.gz LMLSUXXTCMHJEA-CGTJXYLNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679254 1254862799 /nfs/dbraw/zinc/86/27/99/1254862799.db2.gz LMLSUXXTCMHJEA-CGTJXYLNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679254 1254862804 /nfs/dbraw/zinc/86/28/04/1254862804.db2.gz LMLSUXXTCMHJEA-CGTJXYLNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001077680305 1254865362 /nfs/dbraw/zinc/86/53/62/1254865362.db2.gz ABRYGGKUZMSBRY-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001077680305 1254865376 /nfs/dbraw/zinc/86/53/76/1254865376.db2.gz ABRYGGKUZMSBRY-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001077680305 1254865387 /nfs/dbraw/zinc/86/53/87/1254865387.db2.gz ABRYGGKUZMSBRY-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001077680305 1254865400 /nfs/dbraw/zinc/86/54/00/1254865400.db2.gz ABRYGGKUZMSBRY-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679528 1254867478 /nfs/dbraw/zinc/86/74/78/1254867478.db2.gz ULQQLQIWCQHMSK-KFKAGJAMSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679528 1254867484 /nfs/dbraw/zinc/86/74/84/1254867484.db2.gz ULQQLQIWCQHMSK-KFKAGJAMSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679528 1254867494 /nfs/dbraw/zinc/86/74/94/1254867494.db2.gz ULQQLQIWCQHMSK-KFKAGJAMSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679528 1254867500 /nfs/dbraw/zinc/86/75/00/1254867500.db2.gz ULQQLQIWCQHMSK-KFKAGJAMSA-N 2 1 360.502 0.756 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077765384 1254960511 /nfs/dbraw/zinc/96/05/11/1254960511.db2.gz LIHCJRZSPCSTFS-IAGOWNOFSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001077765384 1254960526 /nfs/dbraw/zinc/96/05/26/1254960526.db2.gz LIHCJRZSPCSTFS-IAGOWNOFSA-N 2 1 364.490 0.985 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)cn1 ZINC001077817158 1255019167 /nfs/dbraw/zinc/01/91/67/1255019167.db2.gz QHGZQTMMLAMNLV-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)cn1 ZINC001077816934 1255019514 /nfs/dbraw/zinc/01/95/14/1255019514.db2.gz DPQCJNDIPDXYDU-RTBURBONSA-N 2 1 371.485 0.462 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078006115 1255162461 /nfs/dbraw/zinc/16/24/61/1255162461.db2.gz SMRPFCGWCKDLOB-BHIYHBOVSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078006115 1255162463 /nfs/dbraw/zinc/16/24/63/1255162463.db2.gz SMRPFCGWCKDLOB-BHIYHBOVSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078006115 1255162469 /nfs/dbraw/zinc/16/24/69/1255162469.db2.gz SMRPFCGWCKDLOB-BHIYHBOVSA-N 2 1 360.502 0.756 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206193 1255319417 /nfs/dbraw/zinc/31/94/17/1255319417.db2.gz SLSVKTKAEQCILW-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206193 1255319430 /nfs/dbraw/zinc/31/94/30/1255319430.db2.gz SLSVKTKAEQCILW-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206193 1255319435 /nfs/dbraw/zinc/31/94/35/1255319435.db2.gz SLSVKTKAEQCILW-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206193 1255319442 /nfs/dbraw/zinc/31/94/42/1255319442.db2.gz SLSVKTKAEQCILW-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210042 1255324116 /nfs/dbraw/zinc/32/41/16/1255324116.db2.gz SSWCNMYHLNZQCF-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210042 1255324123 /nfs/dbraw/zinc/32/41/23/1255324123.db2.gz SSWCNMYHLNZQCF-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210042 1255324131 /nfs/dbraw/zinc/32/41/31/1255324131.db2.gz SSWCNMYHLNZQCF-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]2O)C1 ZINC001078210042 1255324140 /nfs/dbraw/zinc/32/41/40/1255324140.db2.gz SSWCNMYHLNZQCF-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209875 1255325636 /nfs/dbraw/zinc/32/56/36/1255325636.db2.gz NDZBTLVICUAOJL-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209875 1255325643 /nfs/dbraw/zinc/32/56/43/1255325643.db2.gz NDZBTLVICUAOJL-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209875 1255325647 /nfs/dbraw/zinc/32/56/47/1255325647.db2.gz NDZBTLVICUAOJL-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078209875 1255325654 /nfs/dbraw/zinc/32/56/54/1255325654.db2.gz NDZBTLVICUAOJL-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nonc3C)C2)CC[N@@H+]1C ZINC001078403504 1255407281 /nfs/dbraw/zinc/40/72/81/1255407281.db2.gz ARIJPDMOPCROQK-HLLBOEOZSA-N 2 1 365.478 0.815 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nonc3C)C2)CC[N@H+]1C ZINC001078403504 1255407288 /nfs/dbraw/zinc/40/72/88/1255407288.db2.gz ARIJPDMOPCROQK-HLLBOEOZSA-N 2 1 365.478 0.815 20 0 FCADMP CCn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)nn1 ZINC001078403519 1255407469 /nfs/dbraw/zinc/40/74/69/1255407469.db2.gz AYZOHQMFRGXTSJ-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)nn1 ZINC001078403519 1255407472 /nfs/dbraw/zinc/40/74/72/1255407472.db2.gz AYZOHQMFRGXTSJ-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405231 1255408477 /nfs/dbraw/zinc/40/84/77/1255408477.db2.gz IQEWBMGHSQVZEU-BPQIPLTHSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405255 1255408580 /nfs/dbraw/zinc/40/85/80/1255408580.db2.gz JJVDGFNDRIXFOC-BRWVUGGUSA-N 2 1 363.506 0.950 20 0 FCADMP C[C@@H](CCNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001078480922 1255418043 /nfs/dbraw/zinc/41/80/43/1255418043.db2.gz CQQAFCLUUFUQFE-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001078480922 1255418046 /nfs/dbraw/zinc/41/80/46/1255418046.db2.gz CQQAFCLUUFUQFE-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+]1CCC(C)(C)C1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001078480922 1255418052 /nfs/dbraw/zinc/41/80/52/1255418052.db2.gz CQQAFCLUUFUQFE-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+]1CCC(C)(C)C1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001078480922 1255418057 /nfs/dbraw/zinc/41/80/57/1255418057.db2.gz CQQAFCLUUFUQFE-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001079142649 1255456746 /nfs/dbraw/zinc/45/67/46/1255456746.db2.gz NAMOFMHKXZUCPC-RTBURBONSA-N 2 1 361.486 0.394 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079246157 1255486084 /nfs/dbraw/zinc/48/60/84/1255486084.db2.gz SOWIGNMQZXXDNY-OKZBNKHCSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710395 1255583093 /nfs/dbraw/zinc/58/30/93/1255583093.db2.gz GTQXYHSWXGRTDN-ZTFGCOKTSA-N 2 1 358.486 0.664 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717480 1255585524 /nfs/dbraw/zinc/58/55/24/1255585524.db2.gz KJGFKDIWILGFLJ-JFIYKMOQSA-N 2 1 363.506 0.921 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806584 1255614683 /nfs/dbraw/zinc/61/46/83/1255614683.db2.gz NNKUDVBNZGXCAV-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806584 1255614691 /nfs/dbraw/zinc/61/46/91/1255614691.db2.gz NNKUDVBNZGXCAV-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806584 1255614698 /nfs/dbraw/zinc/61/46/98/1255614698.db2.gz NNKUDVBNZGXCAV-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001080014529 1255709013 /nfs/dbraw/zinc/70/90/13/1255709013.db2.gz XCOUBNGUAONOFD-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001080014529 1255709020 /nfs/dbraw/zinc/70/90/20/1255709020.db2.gz XCOUBNGUAONOFD-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001080014529 1255709025 /nfs/dbraw/zinc/70/90/25/1255709025.db2.gz XCOUBNGUAONOFD-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001080014529 1255709032 /nfs/dbraw/zinc/70/90/32/1255709032.db2.gz XCOUBNGUAONOFD-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080106921 1255746782 /nfs/dbraw/zinc/74/67/82/1255746782.db2.gz GIXUONYOEIYXSY-RHSMWYFYSA-N 2 1 366.429 0.609 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001080139285 1255757286 /nfs/dbraw/zinc/75/72/86/1255757286.db2.gz UZGGEPORNKALFB-CXAGYDPISA-N 2 1 355.442 0.927 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001080139285 1255757290 /nfs/dbraw/zinc/75/72/90/1255757290.db2.gz UZGGEPORNKALFB-CXAGYDPISA-N 2 1 355.442 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164526 1255768715 /nfs/dbraw/zinc/76/87/15/1255768715.db2.gz FUVPMHJDPYSHOL-LVPSCPSHSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164526 1255768721 /nfs/dbraw/zinc/76/87/21/1255768721.db2.gz FUVPMHJDPYSHOL-LVPSCPSHSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164526 1255768727 /nfs/dbraw/zinc/76/87/27/1255768727.db2.gz FUVPMHJDPYSHOL-LVPSCPSHSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080557186 1255931071 /nfs/dbraw/zinc/93/10/71/1255931071.db2.gz JRMVHSDFUHXPMO-DJIMGWMZSA-N 2 1 360.506 0.934 20 0 FCADMP CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080919480 1256093665 /nfs/dbraw/zinc/09/36/65/1256093665.db2.gz DMOJQKLXLKNUGU-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999006 1256133313 /nfs/dbraw/zinc/13/33/13/1256133313.db2.gz XVDZUBLWECOWMU-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999006 1256133317 /nfs/dbraw/zinc/13/33/17/1256133317.db2.gz XVDZUBLWECOWMU-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080999006 1256133321 /nfs/dbraw/zinc/13/33/21/1256133321.db2.gz XVDZUBLWECOWMU-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081095823 1256174771 /nfs/dbraw/zinc/17/47/71/1256174771.db2.gz WGHZREKIANCNFP-OTWHNJEPSA-N 2 1 368.485 0.957 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081098210 1256177146 /nfs/dbraw/zinc/17/71/46/1256177146.db2.gz ZWUVBXZYWKVDHP-KSZLIROESA-N 2 1 368.485 0.994 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081098210 1256177149 /nfs/dbraw/zinc/17/71/49/1256177149.db2.gz ZWUVBXZYWKVDHP-KSZLIROESA-N 2 1 368.485 0.994 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226408 1256210862 /nfs/dbraw/zinc/21/08/62/1256210862.db2.gz AYAAUUURXGQCRA-FGTMMUONSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226408 1256210868 /nfs/dbraw/zinc/21/08/68/1256210868.db2.gz AYAAUUURXGQCRA-FGTMMUONSA-N 2 1 368.485 0.851 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767221 1256360263 /nfs/dbraw/zinc/36/02/63/1256360263.db2.gz XRWYKHDNFCZAAA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767221 1256360277 /nfs/dbraw/zinc/36/02/77/1256360277.db2.gz XRWYKHDNFCZAAA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767221 1256360280 /nfs/dbraw/zinc/36/02/80/1256360280.db2.gz XRWYKHDNFCZAAA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001081767221 1256360290 /nfs/dbraw/zinc/36/02/90/1256360290.db2.gz XRWYKHDNFCZAAA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081788522 1256369590 /nfs/dbraw/zinc/36/95/90/1256369590.db2.gz SHMWMMWUZLNIDU-GVDBMIGSSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081788522 1256369595 /nfs/dbraw/zinc/36/95/95/1256369595.db2.gz SHMWMMWUZLNIDU-GVDBMIGSSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081788522 1256369602 /nfs/dbraw/zinc/36/96/02/1256369602.db2.gz SHMWMMWUZLNIDU-GVDBMIGSSA-N 2 1 364.494 0.071 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081788522 1256369608 /nfs/dbraw/zinc/36/96/08/1256369608.db2.gz SHMWMMWUZLNIDU-GVDBMIGSSA-N 2 1 364.494 0.071 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052498 1256511621 /nfs/dbraw/zinc/51/16/21/1256511621.db2.gz FPMSCVNYXPALSK-RCCFBDPRSA-N 2 1 363.506 0.821 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052498 1256511625 /nfs/dbraw/zinc/51/16/25/1256511625.db2.gz FPMSCVNYXPALSK-RCCFBDPRSA-N 2 1 363.506 0.821 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052498 1256511628 /nfs/dbraw/zinc/51/16/28/1256511628.db2.gz FPMSCVNYXPALSK-RCCFBDPRSA-N 2 1 363.506 0.821 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052494 1256511877 /nfs/dbraw/zinc/51/18/77/1256511877.db2.gz FPMSCVNYXPALSK-KZNAEPCWSA-N 2 1 363.506 0.821 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052494 1256511881 /nfs/dbraw/zinc/51/18/81/1256511881.db2.gz FPMSCVNYXPALSK-KZNAEPCWSA-N 2 1 363.506 0.821 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2OC)C1 ZINC001082052494 1256511884 /nfs/dbraw/zinc/51/18/84/1256511884.db2.gz FPMSCVNYXPALSK-KZNAEPCWSA-N 2 1 363.506 0.821 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066391 1256519489 /nfs/dbraw/zinc/51/94/89/1256519489.db2.gz OJOZNZPLSNICRH-CWLKWCNXSA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066391 1256519496 /nfs/dbraw/zinc/51/94/96/1256519496.db2.gz OJOZNZPLSNICRH-CWLKWCNXSA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066391 1256519499 /nfs/dbraw/zinc/51/94/99/1256519499.db2.gz OJOZNZPLSNICRH-CWLKWCNXSA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096082 1256532715 /nfs/dbraw/zinc/53/27/15/1256532715.db2.gz XUPDTIHPMRVKAZ-IAGOWNOFSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096082 1256532720 /nfs/dbraw/zinc/53/27/20/1256532720.db2.gz XUPDTIHPMRVKAZ-IAGOWNOFSA-N 2 1 364.494 0.052 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)O1 ZINC001082144620 1256559160 /nfs/dbraw/zinc/55/91/60/1256559160.db2.gz ARSWWZKHRUAHTM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)O1 ZINC001082144620 1256559164 /nfs/dbraw/zinc/55/91/64/1256559164.db2.gz ARSWWZKHRUAHTM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082520565 1256804930 /nfs/dbraw/zinc/80/49/30/1256804930.db2.gz FFPQLNLIEKPUER-KBUPBQIOSA-N 2 1 363.510 0.705 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082520565 1256804941 /nfs/dbraw/zinc/80/49/41/1256804941.db2.gz FFPQLNLIEKPUER-KBUPBQIOSA-N 2 1 363.510 0.705 20 0 FCADMP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001330593689 1266065732 /nfs/dbraw/zinc/06/57/32/1266065732.db2.gz ARGYBAGTJKUZCF-INIZCTEOSA-N 2 1 363.510 0.258 20 0 FCADMP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001330593689 1266065741 /nfs/dbraw/zinc/06/57/41/1266065741.db2.gz ARGYBAGTJKUZCF-INIZCTEOSA-N 2 1 363.510 0.258 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082544571 1256834720 /nfs/dbraw/zinc/83/47/20/1256834720.db2.gz IZRIKXOHOYPELG-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558890 1256856338 /nfs/dbraw/zinc/85/63/38/1256856338.db2.gz KSSWMYUGFMUVNQ-XYPHTWIQSA-N 2 1 360.462 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082592566 1256905321 /nfs/dbraw/zinc/90/53/21/1256905321.db2.gz MHKYJRIRVPVGBG-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082645604 1256951453 /nfs/dbraw/zinc/95/14/53/1256951453.db2.gz LRQXTDSHCACYES-MLGOLLRUSA-N 2 1 366.429 0.906 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082653356 1256956847 /nfs/dbraw/zinc/95/68/47/1256956847.db2.gz HALNTWCKGDGUHU-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653243 1256957747 /nfs/dbraw/zinc/95/77/47/1256957747.db2.gz BUMZDYZBOZXFJY-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653243 1256957750 /nfs/dbraw/zinc/95/77/50/1256957750.db2.gz BUMZDYZBOZXFJY-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703305 1256995224 /nfs/dbraw/zinc/99/52/24/1256995224.db2.gz KTLQULYDNYHOKH-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703305 1256995228 /nfs/dbraw/zinc/99/52/28/1256995228.db2.gz KTLQULYDNYHOKH-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082808424 1257067716 /nfs/dbraw/zinc/06/77/16/1257067716.db2.gz MIKBGYBENCLYPD-CZUORRHYSA-N 2 1 357.462 0.522 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082827002 1257084592 /nfs/dbraw/zinc/08/45/92/1257084592.db2.gz WVXLVUNVUPGDQB-UHOFOFEASA-N 2 1 354.414 0.206 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082920985 1257145633 /nfs/dbraw/zinc/14/56/33/1257145633.db2.gz OOEPMBVJYMRAIL-QLFBSQMISA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082921141 1257145759 /nfs/dbraw/zinc/14/57/59/1257145759.db2.gz YNNPRYBACMAANJ-BPQIPLTHSA-N 2 1 370.497 0.964 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)cn1 ZINC001082933882 1257154630 /nfs/dbraw/zinc/15/46/30/1257154630.db2.gz NGYVLHLSVQECFK-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)cn1 ZINC001082933882 1257154636 /nfs/dbraw/zinc/15/46/36/1257154636.db2.gz NGYVLHLSVQECFK-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084805 1257285396 /nfs/dbraw/zinc/28/53/96/1257285396.db2.gz HQIJDOUUWMDDTK-ZWKOTPCHSA-N 2 1 361.490 0.936 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084805 1257285398 /nfs/dbraw/zinc/28/53/98/1257285398.db2.gz HQIJDOUUWMDDTK-ZWKOTPCHSA-N 2 1 361.490 0.936 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC001521433293 1266120921 /nfs/dbraw/zinc/12/09/21/1266120921.db2.gz FHZOZDJXVADWKG-JTDSTZFVSA-N 2 1 360.502 0.816 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831339 1257585158 /nfs/dbraw/zinc/58/51/58/1257585158.db2.gz HPAHUVPIAPXWQI-JQHSSLGASA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831339 1257585160 /nfs/dbraw/zinc/58/51/60/1257585160.db2.gz HPAHUVPIAPXWQI-JQHSSLGASA-N 2 1 363.506 0.388 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832781 1257586396 /nfs/dbraw/zinc/58/63/96/1257586396.db2.gz UZDFCAVJPYRBQA-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832781 1257586400 /nfs/dbraw/zinc/58/64/00/1257586400.db2.gz UZDFCAVJPYRBQA-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832781 1257586406 /nfs/dbraw/zinc/58/64/06/1257586406.db2.gz UZDFCAVJPYRBQA-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832781 1257586409 /nfs/dbraw/zinc/58/64/09/1257586409.db2.gz UZDFCAVJPYRBQA-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056686 1257868891 /nfs/dbraw/zinc/86/88/91/1257868891.db2.gz JUSOQMPPJZYUJO-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056686 1257868896 /nfs/dbraw/zinc/86/88/96/1257868896.db2.gz JUSOQMPPJZYUJO-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056686 1257868903 /nfs/dbraw/zinc/86/89/03/1257868903.db2.gz JUSOQMPPJZYUJO-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056686 1257868912 /nfs/dbraw/zinc/86/89/12/1257868912.db2.gz JUSOQMPPJZYUJO-KSZLIROESA-N 2 1 361.486 0.795 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21)C1CC1 ZINC001084406073 1258084724 /nfs/dbraw/zinc/08/47/24/1258084724.db2.gz FEZFKBKYGYXOGY-LMMKCTJWSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21)C1CC1 ZINC001084406073 1258084729 /nfs/dbraw/zinc/08/47/29/1258084729.db2.gz FEZFKBKYGYXOGY-LMMKCTJWSA-N 2 1 362.518 0.872 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](CCn3cccn3)C[C@H]21 ZINC001084532624 1258154534 /nfs/dbraw/zinc/15/45/34/1258154534.db2.gz HBTAKDXMJXYOCR-MOXMWUHRSA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084532624 1258154538 /nfs/dbraw/zinc/15/45/38/1258154538.db2.gz HBTAKDXMJXYOCR-MOXMWUHRSA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084532624 1258154541 /nfs/dbraw/zinc/15/45/41/1258154541.db2.gz HBTAKDXMJXYOCR-MOXMWUHRSA-N 2 1 371.485 0.279 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662279 1258224642 /nfs/dbraw/zinc/22/46/42/1258224642.db2.gz DAXZSZPUCDBIAQ-BMGDILEWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662279 1258224646 /nfs/dbraw/zinc/22/46/46/1258224646.db2.gz DAXZSZPUCDBIAQ-BMGDILEWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662279 1258224653 /nfs/dbraw/zinc/22/46/53/1258224653.db2.gz DAXZSZPUCDBIAQ-BMGDILEWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084833804 1258379094 /nfs/dbraw/zinc/37/90/94/1258379094.db2.gz XHGDPKITTMTJJZ-IAGOWNOFSA-N 2 1 359.474 0.737 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084833804 1258379100 /nfs/dbraw/zinc/37/91/00/1258379100.db2.gz XHGDPKITTMTJJZ-IAGOWNOFSA-N 2 1 359.474 0.737 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001084833942 1258379675 /nfs/dbraw/zinc/37/96/75/1258379675.db2.gz CLRKRIWYLOSNFY-QXAKKESOSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844333 1258391887 /nfs/dbraw/zinc/39/18/87/1258391887.db2.gz OVJREHVIUPOCDK-NXHRZFHOSA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844333 1258391896 /nfs/dbraw/zinc/39/18/96/1258391896.db2.gz OVJREHVIUPOCDK-NXHRZFHOSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844333 1258391903 /nfs/dbraw/zinc/39/19/03/1258391903.db2.gz OVJREHVIUPOCDK-NXHRZFHOSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844333 1258391908 /nfs/dbraw/zinc/39/19/08/1258391908.db2.gz OVJREHVIUPOCDK-NXHRZFHOSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]32)cc1=O ZINC001084903649 1258427552 /nfs/dbraw/zinc/42/75/52/1258427552.db2.gz LTASXEJAEPZRJF-KURKYZTESA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]32)cc1=O ZINC001084903649 1258427558 /nfs/dbraw/zinc/42/75/58/1258427558.db2.gz LTASXEJAEPZRJF-KURKYZTESA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]32)cc1=O ZINC001084903649 1258427562 /nfs/dbraw/zinc/42/75/62/1258427562.db2.gz LTASXEJAEPZRJF-KURKYZTESA-N 2 1 358.486 0.902 20 0 FCADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001084957585 1258469957 /nfs/dbraw/zinc/46/99/57/1258469957.db2.gz IQRPOSDHOLXNED-NEWSRXKRSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001084957585 1258469959 /nfs/dbraw/zinc/46/99/59/1258469959.db2.gz IQRPOSDHOLXNED-NEWSRXKRSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001084957585 1258469960 /nfs/dbraw/zinc/46/99/60/1258469960.db2.gz IQRPOSDHOLXNED-NEWSRXKRSA-N 2 1 365.518 0.935 20 0 FCADMP O=C(N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076038 1258572117 /nfs/dbraw/zinc/57/21/17/1258572117.db2.gz FLDFZSWZDIORKG-SJORKVTESA-N 2 1 360.502 0.627 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098285 1258592224 /nfs/dbraw/zinc/59/22/24/1258592224.db2.gz JXWDOWAPRJTMQJ-SQNIBIBYSA-N 2 1 361.490 0.564 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098285 1258592226 /nfs/dbraw/zinc/59/22/26/1258592226.db2.gz JXWDOWAPRJTMQJ-SQNIBIBYSA-N 2 1 361.490 0.564 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098285 1258592230 /nfs/dbraw/zinc/59/22/30/1258592230.db2.gz JXWDOWAPRJTMQJ-SQNIBIBYSA-N 2 1 361.490 0.564 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)C1 ZINC001085098285 1258592232 /nfs/dbraw/zinc/59/22/32/1258592232.db2.gz JXWDOWAPRJTMQJ-SQNIBIBYSA-N 2 1 361.490 0.564 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153638 1258666818 /nfs/dbraw/zinc/66/68/18/1258666818.db2.gz DBGHBVSCYRJXBH-XHSDSOJGSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088157803 1258669499 /nfs/dbraw/zinc/66/94/99/1258669499.db2.gz ILSXPZFLDPCDKR-SQNIBIBYSA-N 2 1 362.518 0.776 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171905 1258693971 /nfs/dbraw/zinc/69/39/71/1258693971.db2.gz MILMHBMDQMPBGL-SJORKVTESA-N 2 1 357.502 0.839 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331395409 1266206163 /nfs/dbraw/zinc/20/61/63/1266206163.db2.gz DIQDSMIZNRKYRS-OKZBNKHCSA-N 2 1 367.538 0.600 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207905 1258730259 /nfs/dbraw/zinc/73/02/59/1258730259.db2.gz BPOSHOOWPFTWCR-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207905 1258730262 /nfs/dbraw/zinc/73/02/62/1258730262.db2.gz BPOSHOOWPFTWCR-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207905 1258730266 /nfs/dbraw/zinc/73/02/66/1258730266.db2.gz BPOSHOOWPFTWCR-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207905 1258730269 /nfs/dbraw/zinc/73/02/69/1258730269.db2.gz BPOSHOOWPFTWCR-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212778 1258736259 /nfs/dbraw/zinc/73/62/59/1258736259.db2.gz PIFIVPOQUZOEPL-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212778 1258736263 /nfs/dbraw/zinc/73/62/63/1258736263.db2.gz PIFIVPOQUZOEPL-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212778 1258736268 /nfs/dbraw/zinc/73/62/68/1258736268.db2.gz PIFIVPOQUZOEPL-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088212778 1258736273 /nfs/dbraw/zinc/73/62/73/1258736273.db2.gz PIFIVPOQUZOEPL-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092658168 1258809767 /nfs/dbraw/zinc/80/97/67/1258809767.db2.gz KBYRQXJEYGCXCE-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658168 1258809771 /nfs/dbraw/zinc/80/97/71/1258809771.db2.gz KBYRQXJEYGCXCE-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658168 1258809774 /nfs/dbraw/zinc/80/97/74/1258809774.db2.gz KBYRQXJEYGCXCE-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671265 1258811490 /nfs/dbraw/zinc/81/14/90/1258811490.db2.gz GXQGXYLFYZVSMK-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671265 1258811496 /nfs/dbraw/zinc/81/14/96/1258811496.db2.gz GXQGXYLFYZVSMK-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671265 1258811504 /nfs/dbraw/zinc/81/15/04/1258811504.db2.gz GXQGXYLFYZVSMK-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671265 1258811516 /nfs/dbraw/zinc/81/15/16/1258811516.db2.gz GXQGXYLFYZVSMK-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671035 1258812182 /nfs/dbraw/zinc/81/21/82/1258812182.db2.gz FDSOXBOPQGPGPR-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671035 1258812189 /nfs/dbraw/zinc/81/21/89/1258812189.db2.gz FDSOXBOPQGPGPR-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671035 1258812193 /nfs/dbraw/zinc/81/21/93/1258812193.db2.gz FDSOXBOPQGPGPR-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671035 1258812197 /nfs/dbraw/zinc/81/21/97/1258812197.db2.gz FDSOXBOPQGPGPR-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670898 1258812312 /nfs/dbraw/zinc/81/23/12/1258812312.db2.gz BUVFGOUJPKOCLE-KZNAEPCWSA-N 2 1 362.522 0.940 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670898 1258812318 /nfs/dbraw/zinc/81/23/18/1258812318.db2.gz BUVFGOUJPKOCLE-KZNAEPCWSA-N 2 1 362.522 0.940 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670898 1258812320 /nfs/dbraw/zinc/81/23/20/1258812320.db2.gz BUVFGOUJPKOCLE-KZNAEPCWSA-N 2 1 362.522 0.940 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001331454114 1266218901 /nfs/dbraw/zinc/21/89/01/1266218901.db2.gz RVYJJSFQSQEOBW-HKUYNNGSSA-N 2 1 365.522 0.178 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828114 1258857192 /nfs/dbraw/zinc/85/71/92/1258857192.db2.gz GHYWOPUOQGLCIH-UKRRQHHQSA-N 2 1 355.442 0.911 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001331449271 1266216857 /nfs/dbraw/zinc/21/68/57/1266216857.db2.gz HEWNZGHIVBXXQW-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331453373 1266218290 /nfs/dbraw/zinc/21/82/90/1266218290.db2.gz IWYILMUOXBXLIV-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578063 1258926444 /nfs/dbraw/zinc/92/64/44/1258926444.db2.gz YPRYSFQAEGLONA-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578063 1258926447 /nfs/dbraw/zinc/92/64/47/1258926447.db2.gz YPRYSFQAEGLONA-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666708 1258936900 /nfs/dbraw/zinc/93/69/00/1258936900.db2.gz RFHJUXSAOJPDBR-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106729356 1258948973 /nfs/dbraw/zinc/94/89/73/1258948973.db2.gz OJSSVWCHILMJTQ-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106765677 1258958799 /nfs/dbraw/zinc/95/87/99/1258958799.db2.gz OKGOVWZDGPZLBW-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106874665 1258984701 /nfs/dbraw/zinc/98/47/01/1258984701.db2.gz OTLNKHRGNKMPJG-BPQIPLTHSA-N 2 1 364.534 0.881 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106903971 1258992632 /nfs/dbraw/zinc/99/26/32/1258992632.db2.gz UAGPCBHRBFYUCU-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106906102 1258993605 /nfs/dbraw/zinc/99/36/05/1258993605.db2.gz XDBQHYNITDNIND-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106986859 1259011949 /nfs/dbraw/zinc/01/19/49/1259011949.db2.gz IXMSXQPFNGTAJN-TZMCWYRMSA-N 2 1 360.418 0.502 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1 ZINC001106986348 1259012051 /nfs/dbraw/zinc/01/20/51/1259012051.db2.gz LGDCRALHWNJCHL-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107036156 1259022030 /nfs/dbraw/zinc/02/20/30/1259022030.db2.gz FXUGGFIYWQLUNS-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2 ZINC001107436318 1259086794 /nfs/dbraw/zinc/08/67/94/1259086794.db2.gz VROQOGIPQMZIBL-YQVWRLOYSA-N 2 1 363.506 0.557 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC001107436318 1259086803 /nfs/dbraw/zinc/08/68/03/1259086803.db2.gz VROQOGIPQMZIBL-YQVWRLOYSA-N 2 1 363.506 0.557 20 0 FCADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2)[NH+](C)C ZINC001107450144 1259092189 /nfs/dbraw/zinc/09/21/89/1259092189.db2.gz FJWLBMPFHWQZOK-HBUWYVDXSA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485219 1259102069 /nfs/dbraw/zinc/10/20/69/1259102069.db2.gz PJGIFPSQXPDQGV-YVWKXTFCSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2)[NH+](C)C ZINC001107553153 1259115519 /nfs/dbraw/zinc/11/55/19/1259115519.db2.gz FJWLBMPFHWQZOK-PMUMKWKESA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001331576420 1266240812 /nfs/dbraw/zinc/24/08/12/1266240812.db2.gz ZSGSKFMYLRVJEO-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107609189 1259132829 /nfs/dbraw/zinc/13/28/29/1259132829.db2.gz HIQDNCFORUCXIV-ZHALLVOQSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)C1 ZINC001107609189 1259132832 /nfs/dbraw/zinc/13/28/32/1259132832.db2.gz HIQDNCFORUCXIV-ZHALLVOQSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)C1 ZINC001107609189 1259132836 /nfs/dbraw/zinc/13/28/36/1259132836.db2.gz HIQDNCFORUCXIV-ZHALLVOQSA-N 2 1 360.506 0.981 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107634099 1259139468 /nfs/dbraw/zinc/13/94/68/1259139468.db2.gz KKZPPUZYERWEMK-GPMSIDNRSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCc3ccnn3C)CCO2)CC[N@@H+]1C ZINC001107953115 1259148053 /nfs/dbraw/zinc/14/80/53/1259148053.db2.gz RHNMHCDZJOMWBT-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCc3ccnn3C)CCO2)CC[N@H+]1C ZINC001107953115 1259148057 /nfs/dbraw/zinc/14/80/57/1259148057.db2.gz RHNMHCDZJOMWBT-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001107953115 1259148059 /nfs/dbraw/zinc/14/80/59/1259148059.db2.gz RHNMHCDZJOMWBT-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001107953115 1259148062 /nfs/dbraw/zinc/14/80/62/1259148062.db2.gz RHNMHCDZJOMWBT-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCc3ncnn32)CCC1 ZINC001109403410 1259157995 /nfs/dbraw/zinc/15/79/95/1259157995.db2.gz FMHJZFJUKRGJRI-UGUYLWEFSA-N 2 1 358.490 0.971 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[nH]1 ZINC001127571346 1259181656 /nfs/dbraw/zinc/18/16/56/1259181656.db2.gz QBBMZCRDSFGJRB-WQVCFCJDSA-N 2 1 364.494 0.627 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccc(F)cc2)CC[N@H+]1C ZINC001127643691 1259182622 /nfs/dbraw/zinc/18/26/22/1259182622.db2.gz HAVBKIAUJAPXBW-RHSMWYFYSA-N 2 1 364.465 0.530 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001127707237 1259184766 /nfs/dbraw/zinc/18/47/66/1259184766.db2.gz WTMRFMIEHFXZBR-QLFBSQMISA-N 2 1 369.510 0.293 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001127701881 1259184776 /nfs/dbraw/zinc/18/47/76/1259184776.db2.gz ZMOWWSXAPUKMAM-HYVNUMGLSA-N 2 1 364.494 0.251 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@H+]1C ZINC001127701881 1259184778 /nfs/dbraw/zinc/18/47/78/1259184778.db2.gz ZMOWWSXAPUKMAM-HYVNUMGLSA-N 2 1 364.494 0.251 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830134 1259242908 /nfs/dbraw/zinc/24/29/08/1259242908.db2.gz MLAZYYZISRATLZ-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830134 1259242912 /nfs/dbraw/zinc/24/29/12/1259242912.db2.gz MLAZYYZISRATLZ-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830134 1259242917 /nfs/dbraw/zinc/24/29/17/1259242917.db2.gz MLAZYYZISRATLZ-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830134 1259242921 /nfs/dbraw/zinc/24/29/21/1259242921.db2.gz MLAZYYZISRATLZ-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830135 1259243648 /nfs/dbraw/zinc/24/36/48/1259243648.db2.gz MLAZYYZISRATLZ-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830135 1259243649 /nfs/dbraw/zinc/24/36/49/1259243649.db2.gz MLAZYYZISRATLZ-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830135 1259243655 /nfs/dbraw/zinc/24/36/55/1259243655.db2.gz MLAZYYZISRATLZ-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830135 1259243658 /nfs/dbraw/zinc/24/36/58/1259243658.db2.gz MLAZYYZISRATLZ-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004078 1259287506 /nfs/dbraw/zinc/28/75/06/1259287506.db2.gz KZYJAGJHTHUBOF-VQHPVUNQSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004078 1259287512 /nfs/dbraw/zinc/28/75/12/1259287512.db2.gz KZYJAGJHTHUBOF-VQHPVUNQSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004078 1259287516 /nfs/dbraw/zinc/28/75/16/1259287516.db2.gz KZYJAGJHTHUBOF-VQHPVUNQSA-N 2 1 364.494 0.385 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@@H]1n1ccnn1 ZINC001129032286 1259293623 /nfs/dbraw/zinc/29/36/23/1259293623.db2.gz MXKNIZITLMWFNX-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129032286 1259293626 /nfs/dbraw/zinc/29/36/26/1259293626.db2.gz MXKNIZITLMWFNX-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129032286 1259293629 /nfs/dbraw/zinc/29/36/29/1259293629.db2.gz MXKNIZITLMWFNX-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129032286 1259293634 /nfs/dbraw/zinc/29/36/34/1259293634.db2.gz MXKNIZITLMWFNX-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199846 1259343370 /nfs/dbraw/zinc/34/33/70/1259343370.db2.gz MXKTWHYZOWDIIR-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199846 1259343378 /nfs/dbraw/zinc/34/33/78/1259343378.db2.gz MXKTWHYZOWDIIR-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199846 1259343387 /nfs/dbraw/zinc/34/33/87/1259343387.db2.gz MXKTWHYZOWDIIR-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204811 1259344079 /nfs/dbraw/zinc/34/40/79/1259344079.db2.gz KOEZRWYBSYQJLZ-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204811 1259344085 /nfs/dbraw/zinc/34/40/85/1259344085.db2.gz KOEZRWYBSYQJLZ-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129205283 1259344765 /nfs/dbraw/zinc/34/47/65/1259344765.db2.gz RRZSXTUZRHIREE-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249371 1259375363 /nfs/dbraw/zinc/37/53/63/1259375363.db2.gz ZWSCCNNQVNUYDY-KKUMJFAQSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001130249371 1259375368 /nfs/dbraw/zinc/37/53/68/1259375368.db2.gz ZWSCCNNQVNUYDY-KKUMJFAQSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001130249371 1259375373 /nfs/dbraw/zinc/37/53/73/1259375373.db2.gz ZWSCCNNQVNUYDY-KKUMJFAQSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249371 1259375378 /nfs/dbraw/zinc/37/53/78/1259375378.db2.gz ZWSCCNNQVNUYDY-KKUMJFAQSA-N 2 1 364.494 0.491 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249371 1259375386 /nfs/dbraw/zinc/37/53/86/1259375386.db2.gz ZWSCCNNQVNUYDY-KKUMJFAQSA-N 2 1 364.494 0.491 20 0 FCADMP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1cnc(C[NH3+])n1 ZINC001168750367 1259391230 /nfs/dbraw/zinc/39/12/30/1259391230.db2.gz MIBAQPDBADZMFE-GFCCVEGCSA-N 2 1 362.434 0.227 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1cnc(C[NH3+])n1 ZINC001168750367 1259391235 /nfs/dbraw/zinc/39/12/35/1259391235.db2.gz MIBAQPDBADZMFE-GFCCVEGCSA-N 2 1 362.434 0.227 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001200547118 1259416773 /nfs/dbraw/zinc/41/67/73/1259416773.db2.gz MPNLBVDXKUJOSU-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555243 1259416899 /nfs/dbraw/zinc/41/68/99/1259416899.db2.gz PLFNVAHUWVVJLP-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cccn3)C2)CC[N@H+]1C ZINC001200556409 1259417547 /nfs/dbraw/zinc/41/75/47/1259417547.db2.gz YDENVSGSKLCXND-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001200556473 1259417574 /nfs/dbraw/zinc/41/75/74/1259417574.db2.gz ZQNKDSLLKYYJJD-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001200556474 1259417978 /nfs/dbraw/zinc/41/79/78/1259417978.db2.gz ZQNKDSLLKYYJJD-YESZJQIVSA-N 2 1 368.522 0.448 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211713381 1259427537 /nfs/dbraw/zinc/42/75/37/1259427537.db2.gz JMZDIMOUCZKKFX-CEXWTWQISA-N 2 1 363.502 0.920 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670109 1266262080 /nfs/dbraw/zinc/26/20/80/1266262080.db2.gz TXOPRHVHFPFIIZ-KZNAEPCWSA-N 2 1 358.486 0.615 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407502 1259494311 /nfs/dbraw/zinc/49/43/11/1259494311.db2.gz AGINKQWQMNUINU-HZPDHXFCSA-N 2 1 364.494 0.195 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407502 1259494312 /nfs/dbraw/zinc/49/43/12/1259494312.db2.gz AGINKQWQMNUINU-HZPDHXFCSA-N 2 1 364.494 0.195 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410091 1259495268 /nfs/dbraw/zinc/49/52/68/1259495268.db2.gz OGKKYGGIISXUFK-ZACQAIPSSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410091 1259495277 /nfs/dbraw/zinc/49/52/77/1259495277.db2.gz OGKKYGGIISXUFK-ZACQAIPSSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416830 1259497809 /nfs/dbraw/zinc/49/78/09/1259497809.db2.gz UHUHEFXIPMZMLC-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416830 1259497816 /nfs/dbraw/zinc/49/78/16/1259497816.db2.gz UHUHEFXIPMZMLC-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416830 1259497819 /nfs/dbraw/zinc/49/78/19/1259497819.db2.gz UHUHEFXIPMZMLC-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544300 1259535515 /nfs/dbraw/zinc/53/55/15/1259535515.db2.gz OJORXSNDOCSPQS-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216226336 1259537436 /nfs/dbraw/zinc/53/74/36/1259537436.db2.gz SRFOWRMDOQKYDH-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cccnc3)C2)O1 ZINC001235659454 1259581124 /nfs/dbraw/zinc/58/11/24/1259581124.db2.gz FUOFUYFKUWIQAC-XLAORIBOSA-N 2 1 374.485 0.873 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cccnc3)C2)O1 ZINC001235659454 1259581131 /nfs/dbraw/zinc/58/11/31/1259581131.db2.gz FUOFUYFKUWIQAC-XLAORIBOSA-N 2 1 374.485 0.873 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(OC)c(OC)n3)C[C@H]1C2 ZINC001236025406 1259585335 /nfs/dbraw/zinc/58/53/35/1259585335.db2.gz BIGYJGOWVLZNOL-JUIVLLAYSA-N 2 1 361.442 0.929 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccn4nccc4c3)CC[C@@H]2C1 ZINC001237536776 1259600062 /nfs/dbraw/zinc/60/00/62/1259600062.db2.gz CCGMSBGRFLFECE-IEBWSBKVSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccn4nccc4c3)CC[C@@H]2C1 ZINC001237536776 1259600069 /nfs/dbraw/zinc/60/00/69/1259600069.db2.gz CCGMSBGRFLFECE-IEBWSBKVSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccn4nccc4c3)CC[C@@H]2C1 ZINC001237536776 1259600077 /nfs/dbraw/zinc/60/00/77/1259600077.db2.gz CCGMSBGRFLFECE-IEBWSBKVSA-N 2 1 371.485 0.945 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335339400 1259614076 /nfs/dbraw/zinc/61/40/76/1259614076.db2.gz UOFLPKMKLDJTPJ-DLBZAZTESA-N 2 1 373.505 0.240 20 0 FCADMP c1nn(CC[NH+]2CCOCC2)cc1-c1cnc(OC2CC[NH2+]CC2)nc1 ZINC001240546837 1259629747 /nfs/dbraw/zinc/62/97/47/1259629747.db2.gz ZNPAIVTZISPTFX-UHFFFAOYSA-N 2 1 358.446 0.803 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245979573 1259641758 /nfs/dbraw/zinc/64/17/58/1259641758.db2.gz VUWOEIRAUURMPF-WQANXHIZSA-N 2 1 369.456 0.944 20 0 FCADMP O[C@H](C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246044261 1259646132 /nfs/dbraw/zinc/64/61/32/1259646132.db2.gz FSKGDYRMKMLKSL-SFHVURJKSA-N 3 1 359.514 0.989 20 0 FCADMP O=C1C[C@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001246153240 1259648404 /nfs/dbraw/zinc/64/84/04/1259648404.db2.gz RIHFNZKMCOKGJR-VCOHRLAKSA-N 2 1 356.470 0.586 20 0 FCADMP O=C1C[C@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001246153240 1259648411 /nfs/dbraw/zinc/64/84/11/1259648411.db2.gz RIHFNZKMCOKGJR-VCOHRLAKSA-N 2 1 356.470 0.586 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001335415592 1259653270 /nfs/dbraw/zinc/65/32/70/1259653270.db2.gz AMYHZVNNFAWTLM-ZMSDIMECSA-N 2 1 365.522 0.569 20 0 FCADMP COC(=O)[C@H]1C[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CN1 ZINC001246485401 1259653520 /nfs/dbraw/zinc/65/35/20/1259653520.db2.gz KSCLCBVGPWVALJ-GVDBMIGSSA-N 2 1 363.458 0.721 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636840 1259657439 /nfs/dbraw/zinc/65/74/39/1259657439.db2.gz XJGOTZWYLOFZMH-QLFBSQMISA-N 2 1 374.489 0.429 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636840 1259657444 /nfs/dbraw/zinc/65/74/44/1259657444.db2.gz XJGOTZWYLOFZMH-QLFBSQMISA-N 2 1 374.489 0.429 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679931 1259659997 /nfs/dbraw/zinc/65/99/97/1259659997.db2.gz RDKCEXWIVPOJMB-FUHWJXTLSA-N 3 1 364.534 0.820 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679931 1259660003 /nfs/dbraw/zinc/66/00/03/1259660003.db2.gz RDKCEXWIVPOJMB-FUHWJXTLSA-N 3 1 364.534 0.820 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680344 1259660348 /nfs/dbraw/zinc/66/03/48/1259660348.db2.gz VVDCILSAQCHQHO-ODWBRZHOSA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)C[NH2+]1 ZINC001246680344 1259660365 /nfs/dbraw/zinc/66/03/65/1259660365.db2.gz VVDCILSAQCHQHO-ODWBRZHOSA-N 2 1 365.474 0.001 20 0 FCADMP O=C([C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693988 1259661868 /nfs/dbraw/zinc/66/18/68/1259661868.db2.gz KITIALFLEGVKHU-DLBZAZTESA-N 2 1 360.502 0.207 20 0 FCADMP O=C([C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693993 1259662435 /nfs/dbraw/zinc/66/24/35/1259662435.db2.gz KITIALFLEGVKHU-IRXDYDNUSA-N 2 1 360.502 0.207 20 0 FCADMP c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)ccn1 ZINC001246697861 1259662899 /nfs/dbraw/zinc/66/28/99/1259662899.db2.gz SHFKHRIDJWTICL-INDMIFKZSA-N 2 1 358.486 0.924 20 0 FCADMP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246714080 1259667660 /nfs/dbraw/zinc/66/76/60/1259667660.db2.gz IULZNAVWQKTTDK-OKZBNKHCSA-N 2 1 355.486 0.659 20 0 FCADMP CC[C@@H]1[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246719975 1259668779 /nfs/dbraw/zinc/66/87/79/1259668779.db2.gz LHUVMFJNKUOAQA-ZWOKBUDYSA-N 2 1 364.534 0.962 20 0 FCADMP Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719435 1259669249 /nfs/dbraw/zinc/66/92/49/1259669249.db2.gz GCZDXTIXXPCPSR-HNAYVOBHSA-N 2 1 372.517 0.419 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722653 1259669367 /nfs/dbraw/zinc/66/93/67/1259669367.db2.gz RXMOWLUUJRFBKW-IDHHARJASA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722653 1259669378 /nfs/dbraw/zinc/66/93/78/1259669378.db2.gz RXMOWLUUJRFBKW-IDHHARJASA-N 2 1 374.489 0.200 20 0 FCADMP Cn1cc(C[N@H+]2CCCC23CCN([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731156 1259670003 /nfs/dbraw/zinc/67/00/03/1259670003.db2.gz BNPGVBJHCKZGQB-GOSISDBHSA-N 2 1 358.534 0.945 20 0 FCADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731156 1259670011 /nfs/dbraw/zinc/67/00/11/1259670011.db2.gz BNPGVBJHCKZGQB-GOSISDBHSA-N 3 1 358.534 0.945 20 0 FCADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)cn1 ZINC001246731156 1259670017 /nfs/dbraw/zinc/67/00/17/1259670017.db2.gz BNPGVBJHCKZGQB-GOSISDBHSA-N 3 1 358.534 0.945 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724024 1259671471 /nfs/dbraw/zinc/67/14/71/1259671471.db2.gz WIZISKPXLUYQJX-QGZVFWFLSA-N 3 1 374.533 0.383 20 0 FCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724024 1259671476 /nfs/dbraw/zinc/67/14/76/1259671476.db2.gz WIZISKPXLUYQJX-QGZVFWFLSA-N 3 1 374.533 0.383 20 0 FCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724024 1259671484 /nfs/dbraw/zinc/67/14/84/1259671484.db2.gz WIZISKPXLUYQJX-QGZVFWFLSA-N 3 1 374.533 0.383 20 0 FCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724024 1259671492 /nfs/dbraw/zinc/67/14/92/1259671492.db2.gz WIZISKPXLUYQJX-QGZVFWFLSA-N 2 1 374.533 0.383 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246724024 1259671501 /nfs/dbraw/zinc/67/15/01/1259671501.db2.gz WIZISKPXLUYQJX-QGZVFWFLSA-N 2 1 374.533 0.383 20 0 FCADMP O=C(c1ccco1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2C1 ZINC001246738510 1259675456 /nfs/dbraw/zinc/67/54/56/1259675456.db2.gz OAPXEVBROKESRV-SOLBZPMBSA-N 2 1 374.485 0.537 20 0 FCADMP O=C(C[C@@H]1OC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]21)N1CCCC1 ZINC001246785888 1259688151 /nfs/dbraw/zinc/68/81/51/1259688151.db2.gz AYAOKEFOGBIJRG-TVFCKZIOSA-N 2 1 362.518 0.430 20 0 FCADMP O=C1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246822778 1259691145 /nfs/dbraw/zinc/69/11/45/1259691145.db2.gz SPRKIQOMIIRDBI-HXUWFJFHSA-N 2 1 373.545 0.652 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856600 1259692461 /nfs/dbraw/zinc/69/24/61/1259692461.db2.gz FHNMVGSNRUQDOG-XDPVHMEUSA-N 2 1 360.462 0.487 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4CC[NH2+]C[C@@H]4O)n3)c2)CC1 ZINC001247760971 1259705221 /nfs/dbraw/zinc/70/52/21/1259705221.db2.gz YGCIFFUBORYPCT-SJORKVTESA-N 2 1 357.458 0.922 20 0 FCADMP C[NH+]1CCN(c2cccc(-c3noc([C@H]4C[NH2+]CC45CNC5)n3)c2)CC1 ZINC001247832149 1259705863 /nfs/dbraw/zinc/70/58/63/1259705863.db2.gz VYTJFBMZGHGOCC-MRXNPFEDSA-N 2 1 354.458 0.765 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@]45C[NH2+]C[C@H]4CCN5)n3)c2)CC1 ZINC001247834525 1259706969 /nfs/dbraw/zinc/70/69/69/1259706969.db2.gz HUWXNOMJWYOARQ-YLJYHZDGSA-N 2 1 368.485 0.892 20 0 FCADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(CC[C@H]([NH3+])C(N)=O)n2)c1 ZINC001249291166 1259722019 /nfs/dbraw/zinc/72/20/19/1259722019.db2.gz SXSCSKDTVILLDJ-AWEZNQCLSA-N 2 1 368.397 0.870 20 0 FCADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251013621 1259728840 /nfs/dbraw/zinc/72/88/40/1259728840.db2.gz JKHGOSDCIOXUBB-VAMGGRTRSA-N 2 1 367.534 0.360 20 0 FCADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251013621 1259728845 /nfs/dbraw/zinc/72/88/45/1259728845.db2.gz JKHGOSDCIOXUBB-VAMGGRTRSA-N 2 1 367.534 0.360 20 0 FCADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251013621 1259728850 /nfs/dbraw/zinc/72/88/50/1259728850.db2.gz JKHGOSDCIOXUBB-VAMGGRTRSA-N 2 1 367.534 0.360 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001335608326 1259739744 /nfs/dbraw/zinc/73/97/44/1259739744.db2.gz ZLRBWKTUGCORLK-IAGOWNOFSA-N 2 1 359.474 0.896 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001251989443 1259772014 /nfs/dbraw/zinc/77/20/14/1259772014.db2.gz DLIBPFUDUIQNEY-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001252416820 1259786149 /nfs/dbraw/zinc/78/61/49/1259786149.db2.gz DCFZGAQNPDCPFH-KRWDZBQOSA-N 2 1 363.458 0.530 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335710701 1259798248 /nfs/dbraw/zinc/79/82/48/1259798248.db2.gz CSSIUCXMNVUFNR-OXFYSEKESA-N 2 1 374.485 0.030 20 0 FCADMP O=C1COC2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC001252931301 1259812558 /nfs/dbraw/zinc/81/25/58/1259812558.db2.gz JVFFDTCPTPHATQ-LJQANCHMSA-N 2 1 359.470 0.604 20 0 FCADMP O=C1COC2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC001252931301 1259812566 /nfs/dbraw/zinc/81/25/66/1259812566.db2.gz JVFFDTCPTPHATQ-LJQANCHMSA-N 2 1 359.470 0.604 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001253052038 1259819056 /nfs/dbraw/zinc/81/90/56/1259819056.db2.gz VMRFCTKVLNGDEJ-IBGZPJMESA-N 2 1 365.518 0.794 20 0 FCADMP CN(C)C(=O)N[C@H]1COCCC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253391037 1259837608 /nfs/dbraw/zinc/83/76/08/1259837608.db2.gz VYVFNWVMDDQBHW-CVEARBPZSA-N 2 1 370.538 0.878 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524245 1259889593 /nfs/dbraw/zinc/88/95/93/1259889593.db2.gz VPEYNPGPWYGZAK-YLFCFFPRSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524245 1259889600 /nfs/dbraw/zinc/88/96/00/1259889600.db2.gz VPEYNPGPWYGZAK-YLFCFFPRSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524245 1259889609 /nfs/dbraw/zinc/88/96/09/1259889609.db2.gz VPEYNPGPWYGZAK-YLFCFFPRSA-N 2 1 361.490 0.866 20 0 FCADMP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)[C@@H]1CC[N@@H+](C)C1 ZINC001255432012 1259914020 /nfs/dbraw/zinc/91/40/20/1259914020.db2.gz ODCPHWFKJLSIGI-MRXNPFEDSA-N 2 1 374.533 0.920 20 0 FCADMP C[N@H+](C[C@H](O)CNCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001335950404 1259915070 /nfs/dbraw/zinc/91/50/70/1259915070.db2.gz INZRNXVJWZTWJE-LJQANCHMSA-N 2 1 360.502 0.376 20 0 FCADMP C[N@@H+](C[C@H](O)CNCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001335950404 1259915076 /nfs/dbraw/zinc/91/50/76/1259915076.db2.gz INZRNXVJWZTWJE-LJQANCHMSA-N 2 1 360.502 0.376 20 0 FCADMP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCC([NH+]3CCOCC3)CC2)N1 ZINC001256696873 1259957615 /nfs/dbraw/zinc/95/76/15/1259957615.db2.gz OMECJHLHSHNYDI-FLFHYWOWSA-N 2 1 362.474 0.835 20 0 FCADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256858635 1259975754 /nfs/dbraw/zinc/97/57/54/1259975754.db2.gz MCPFMDIGSZIDLC-ROUUACIJSA-N 2 1 371.485 0.814 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862314 1259976447 /nfs/dbraw/zinc/97/64/47/1259976447.db2.gz CDKBGQGIZLRELZ-RBUKOAKNSA-N 2 1 372.513 0.972 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC001336793206 1260224208 /nfs/dbraw/zinc/22/42/08/1260224208.db2.gz APPAOJCQXJZMMF-UKRRQHHQSA-N 2 1 359.264 0.845 20 0 FCADMP C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H]1CC[NH3+] ZINC001336820902 1260230396 /nfs/dbraw/zinc/23/03/96/1260230396.db2.gz WRVAOIXKBXRYAB-KZNAEPCWSA-N 2 1 367.538 0.552 20 0 FCADMP COC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001336869131 1260240724 /nfs/dbraw/zinc/24/07/24/1260240724.db2.gz XRLDQJXRVNVRSB-XDNAFOTISA-N 2 1 366.506 0.791 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001262067196 1260255325 /nfs/dbraw/zinc/25/53/25/1260255325.db2.gz VGQFQKFHRSUTGL-DKIMLUQUSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063178 1260298583 /nfs/dbraw/zinc/29/85/83/1260298583.db2.gz YYQYHZLXDMWBLW-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263101108 1260341510 /nfs/dbraw/zinc/34/15/10/1260341510.db2.gz IRQPIUSCVGPHHV-APWZRJJASA-N 2 1 361.490 0.213 20 0 FCADMP C[C@@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC001263102722 1260342324 /nfs/dbraw/zinc/34/23/24/1260342324.db2.gz CBZOFHBFGNMESP-PXNSSMCTSA-N 2 1 360.502 0.818 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001272624526 1260465361 /nfs/dbraw/zinc/46/53/61/1260465361.db2.gz OPGNLJIYDKQZPP-HNNXBMFYSA-N 2 1 359.474 0.504 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217996 1260628416 /nfs/dbraw/zinc/62/84/16/1260628416.db2.gz PCFJFLKQXCHHOF-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217996 1260628423 /nfs/dbraw/zinc/62/84/23/1260628423.db2.gz PCFJFLKQXCHHOF-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217996 1260628429 /nfs/dbraw/zinc/62/84/29/1260628429.db2.gz PCFJFLKQXCHHOF-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217996 1260628434 /nfs/dbraw/zinc/62/84/34/1260628434.db2.gz PCFJFLKQXCHHOF-PKOBYXMFSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3CCN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001278183278 1260686922 /nfs/dbraw/zinc/68/69/22/1260686922.db2.gz JFRWVTIRKTWKBH-ZACQAIPSSA-N 2 1 368.522 0.942 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CCCC4)CC3)[C@@H]2C1 ZINC001278451848 1260693689 /nfs/dbraw/zinc/69/36/89/1260693689.db2.gz MXPBVFDWXHQRSL-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001278464891 1260695114 /nfs/dbraw/zinc/69/51/14/1260695114.db2.gz ZRYNVVTWHUKXEJ-QRVBRYPASA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001278464891 1260695116 /nfs/dbraw/zinc/69/51/16/1260695116.db2.gz ZRYNVVTWHUKXEJ-QRVBRYPASA-N 2 1 363.502 0.809 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478887 1260698015 /nfs/dbraw/zinc/69/80/15/1260698015.db2.gz DEISBZJZRYHIDL-XLIONFOSSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2[C@H]3CC[C@@H]2CN(C(=O)C[NH+]2CCC2)C3)CC1 ZINC001279240359 1260804558 /nfs/dbraw/zinc/80/45/58/1260804558.db2.gz WBZBDNWBZDVZHD-HGKCTWBKSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001279256854 1260813570 /nfs/dbraw/zinc/81/35/70/1260813570.db2.gz LIZFJZZOBUHZLW-HRCADAONSA-N 2 1 360.502 0.816 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001279256854 1260813572 /nfs/dbraw/zinc/81/35/72/1260813572.db2.gz LIZFJZZOBUHZLW-HRCADAONSA-N 2 1 360.502 0.816 20 0 FCADMP Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CCN(C)C)C[C@@H]23)[nH]1 ZINC001279289880 1260823918 /nfs/dbraw/zinc/82/39/18/1260823918.db2.gz DYGRKCJAFSVURV-ROUUACIJSA-N 2 1 359.518 0.897 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2ccc(CO)o2)C[C@]2(CCCC(=O)N2)C1 ZINC001279299691 1260828600 /nfs/dbraw/zinc/82/86/00/1260828600.db2.gz AZAGUWHHDXMMTG-IBGZPJMESA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(CO)o2)C[C@]2(CCCC(=O)N2)C1 ZINC001279299691 1260828608 /nfs/dbraw/zinc/82/86/08/1260828608.db2.gz AZAGUWHHDXMMTG-IBGZPJMESA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2ccc(CO)o2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279299692 1260828958 /nfs/dbraw/zinc/82/89/58/1260828958.db2.gz AZAGUWHHDXMMTG-LJQANCHMSA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(CO)o2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279299692 1260828966 /nfs/dbraw/zinc/82/89/66/1260828966.db2.gz AZAGUWHHDXMMTG-LJQANCHMSA-N 2 1 364.490 0.490 20 0 FCADMP O=C1NC2(CC[NH+](Cc3cc[nH]c3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279309691 1260833650 /nfs/dbraw/zinc/83/36/50/1260833650.db2.gz JFOGWCWSXHAZAK-IAGOWNOFSA-N 2 1 354.458 0.950 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251750 1266366696 /nfs/dbraw/zinc/36/66/96/1266366696.db2.gz GGSGTTFQIBLWPM-MAUKXSAKSA-N 2 1 358.486 0.665 20 0 FCADMP O=C1NC2(CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279468604 1260874654 /nfs/dbraw/zinc/87/46/54/1260874654.db2.gz WTTCYPNBUKWHAC-ULQDDVLXSA-N 2 1 359.474 0.601 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCCO4)CC3)[C@H]2C1 ZINC001279473625 1260877185 /nfs/dbraw/zinc/87/71/85/1260877185.db2.gz ASRMQMJBDWBCJN-BZSNNMDCSA-N 2 1 364.534 0.630 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@H](C1)O2 ZINC001279500873 1260881047 /nfs/dbraw/zinc/88/10/47/1260881047.db2.gz GRQHDPFZQSSIPZ-CALCHBBNSA-N 2 1 368.522 0.800 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@H](C1)O2 ZINC001279500873 1260881052 /nfs/dbraw/zinc/88/10/52/1260881052.db2.gz GRQHDPFZQSSIPZ-CALCHBBNSA-N 2 1 368.522 0.800 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccnc(N3CCOCC3)c1)C2 ZINC001279668429 1260910843 /nfs/dbraw/zinc/91/08/43/1260910843.db2.gz WBDZOQKCLZIOBA-MOPGFXCFSA-N 2 1 359.518 0.986 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC001279714455 1260919548 /nfs/dbraw/zinc/91/95/48/1260919548.db2.gz LRMBBSUGNNRELV-RBUKOAKNSA-N 2 1 359.518 0.986 20 0 FCADMP COC(=O)CCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279885286 1260951352 /nfs/dbraw/zinc/95/13/52/1260951352.db2.gz QHUMARPMNPLULB-RDTXWAMCSA-N 2 1 363.462 0.658 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073294 1260990824 /nfs/dbraw/zinc/99/08/24/1260990824.db2.gz AKGHDNALLHPJNG-FQEVSTJZSA-N 2 1 365.566 0.500 20 0 FCADMP CCOC(=O)CC[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280091659 1260999228 /nfs/dbraw/zinc/99/92/28/1260999228.db2.gz XTIAXVKCCRSAMJ-PVAVHDDUSA-N 2 1 367.490 0.629 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001280098785 1261002875 /nfs/dbraw/zinc/00/28/75/1261002875.db2.gz TYIMMRAZQIUMQC-LSDHHAIUSA-N 2 1 364.450 0.106 20 0 FCADMP Cn1c[nH+]cc1N1CC[N@@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280119639 1261008999 /nfs/dbraw/zinc/00/89/99/1261008999.db2.gz ABAIIEKZZDOREM-SFHVURJKSA-N 2 1 357.462 0.478 20 0 FCADMP C[C@@H](NC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]12)c1ncc[nH]1 ZINC001280125509 1261010501 /nfs/dbraw/zinc/01/05/01/1261010501.db2.gz KXZSJURLBVVGRW-VHDGCEQUSA-N 2 1 360.462 0.615 20 0 FCADMP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH+](C)CC4)C[C@H]23)C[C@H](C)O1 ZINC001280125647 1261010916 /nfs/dbraw/zinc/01/09/16/1261010916.db2.gz MTEXEDSZVUXXPJ-HDEZJCGLSA-N 2 1 364.490 0.651 20 0 FCADMP CN(C)C(=O)CNC(=O)c1noc2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001280125420 1261011101 /nfs/dbraw/zinc/01/11/01/1261011101.db2.gz IPIKGCOQZDREAV-UHFFFAOYSA-N 2 1 363.462 0.193 20 0 FCADMP CN(C)C(=O)CNC(=O)c1noc2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001280125420 1261011103 /nfs/dbraw/zinc/01/11/03/1261011103.db2.gz IPIKGCOQZDREAV-UHFFFAOYSA-N 2 1 363.462 0.193 20 0 FCADMP COc1ccc(NC(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]23)nn1 ZINC001280138385 1261014445 /nfs/dbraw/zinc/01/44/45/1261014445.db2.gz XPYSLPSWJZJETA-QWHCGFSZSA-N 2 1 360.418 0.110 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001332333429 1266378453 /nfs/dbraw/zinc/37/84/53/1266378453.db2.gz BGXIYJAPZLONIE-ROUUACIJSA-N 2 1 362.474 0.364 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@H]2C1 ZINC001280188437 1261025173 /nfs/dbraw/zinc/02/51/73/1261025173.db2.gz GNSWSACRILRSCK-JYJNAYRXSA-N 2 1 361.490 0.296 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3C(=O)NC4(CC[NH+](C[C@@H](C)O)CC4)[C@H]3C2)n(C)n1 ZINC001280188740 1261025953 /nfs/dbraw/zinc/02/59/53/1261025953.db2.gz JODHDCRLHCSQLS-PVAVHDDUSA-N 2 1 361.490 0.122 20 0 FCADMP CCNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215143 1261036247 /nfs/dbraw/zinc/03/62/47/1261036247.db2.gz KWGSYAIFJJETJD-YLJYHZDGSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280221020 1261038899 /nfs/dbraw/zinc/03/88/99/1261038899.db2.gz LZSBKDGOQIFWJQ-ROUUACIJSA-N 2 1 359.518 0.979 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280221020 1261038901 /nfs/dbraw/zinc/03/89/01/1261038901.db2.gz LZSBKDGOQIFWJQ-ROUUACIJSA-N 3 1 359.518 0.979 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280221020 1261038903 /nfs/dbraw/zinc/03/89/03/1261038903.db2.gz LZSBKDGOQIFWJQ-ROUUACIJSA-N 3 1 359.518 0.979 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@]23c2ccccc2NC3=O)CC1 ZINC001280241477 1261041452 /nfs/dbraw/zinc/04/14/52/1261041452.db2.gz HZRDACOFBFLTDN-JXFKEZNVSA-N 2 1 356.470 0.991 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001281937377 1261299092 /nfs/dbraw/zinc/29/90/92/1261299092.db2.gz QEMQVXVRXNYWEB-CVEARBPZSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O)CC(C)(C)C ZINC001281937377 1261299099 /nfs/dbraw/zinc/29/90/99/1261299099.db2.gz QEMQVXVRXNYWEB-CVEARBPZSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O)CC(C)(C)C ZINC001281937377 1261299105 /nfs/dbraw/zinc/29/91/05/1261299105.db2.gz QEMQVXVRXNYWEB-CVEARBPZSA-N 2 1 368.522 0.137 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001289524973 1262238367 /nfs/dbraw/zinc/23/83/67/1262238367.db2.gz WBRPXDILBPYXKL-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001289524973 1262238373 /nfs/dbraw/zinc/23/83/73/1262238373.db2.gz WBRPXDILBPYXKL-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001289524973 1262238376 /nfs/dbraw/zinc/23/83/76/1262238376.db2.gz WBRPXDILBPYXKL-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289719743 1262322253 /nfs/dbraw/zinc/32/22/53/1262322253.db2.gz CWFMFSGSKZARLQ-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580341380 1278137996 /nfs/dbraw/zinc/13/79/96/1278137996.db2.gz WNWCXRKGJOUEEO-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn3cc(C[NH3+])ccc3n2)C1 ZINC001580340718 1278138316 /nfs/dbraw/zinc/13/83/16/1278138316.db2.gz GYNRMMFKYSLFKI-CQSZACIVSA-N 2 1 358.446 0.110 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301916121 1263026547 /nfs/dbraw/zinc/02/65/47/1263026547.db2.gz VMPGDYPWNAJEDG-CVEARBPZSA-N 2 1 366.510 0.501 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001580377253 1278189722 /nfs/dbraw/zinc/18/97/22/1278189722.db2.gz SQWVUKDHDKHZBC-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001310360304 1263232591 /nfs/dbraw/zinc/23/25/91/1263232591.db2.gz ZKQYXZRMCTZCID-CYBMUJFWSA-N 2 1 363.462 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001310360304 1263232598 /nfs/dbraw/zinc/23/25/98/1263232598.db2.gz ZKQYXZRMCTZCID-CYBMUJFWSA-N 2 1 363.462 0.377 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3nccn(C)c3=O)CC2)CC1 ZINC001310494673 1263235967 /nfs/dbraw/zinc/23/59/67/1263235967.db2.gz UUESHHFIWXWMKW-UHFFFAOYSA-N 2 1 362.478 0.804 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3nccn(C)c3=O)CC2)CC1 ZINC001310494673 1263235972 /nfs/dbraw/zinc/23/59/72/1263235972.db2.gz UUESHHFIWXWMKW-UHFFFAOYSA-N 2 1 362.478 0.804 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001479672248 1263333506 /nfs/dbraw/zinc/33/35/06/1263333506.db2.gz OGEBZQSYZOPARZ-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001482597233 1263442585 /nfs/dbraw/zinc/44/25/85/1263442585.db2.gz STLZJXFOUVWKRT-RBSFLKMASA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001482597233 1263442589 /nfs/dbraw/zinc/44/25/89/1263442589.db2.gz STLZJXFOUVWKRT-RBSFLKMASA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482597233 1263442592 /nfs/dbraw/zinc/44/25/92/1263442592.db2.gz STLZJXFOUVWKRT-RBSFLKMASA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482597233 1263442594 /nfs/dbraw/zinc/44/25/94/1263442594.db2.gz STLZJXFOUVWKRT-RBSFLKMASA-N 2 1 369.510 0.340 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317590156 1263516470 /nfs/dbraw/zinc/51/64/70/1263516470.db2.gz WDPZSTPHHRRMOL-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317590157 1263517007 /nfs/dbraw/zinc/51/70/07/1263517007.db2.gz WDPZSTPHHRRMOL-RRFJBIMHSA-N 2 1 369.510 0.245 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001317958129 1263535160 /nfs/dbraw/zinc/53/51/60/1263535160.db2.gz CTAAKFQHVRCQOZ-UHFFFAOYSA-N 2 1 372.429 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580385559 1278204738 /nfs/dbraw/zinc/20/47/38/1278204738.db2.gz OISLWXQOPGZJQM-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP O=C(NCC[NH+]1CC=CC1)c1cncc(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001318925146 1263628475 /nfs/dbraw/zinc/62/84/75/1263628475.db2.gz ZCQJAIKHBSHDOE-UHFFFAOYSA-N 2 1 355.442 0.285 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001320427892 1263794463 /nfs/dbraw/zinc/79/44/63/1263794463.db2.gz NCAPXJUHSLBFLE-UHFFFAOYSA-N 2 1 362.474 0.651 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC[NH+]2CC=CC2)ccc1N1CC[NH+](C)CC1 ZINC001320714877 1263843494 /nfs/dbraw/zinc/84/34/94/1263843494.db2.gz JTJSWEVLKUKBKD-UHFFFAOYSA-N 2 1 371.485 0.673 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(O)ccc2Cl)CC[N@H+]1C ZINC001496980018 1263905951 /nfs/dbraw/zinc/90/59/51/1263905951.db2.gz YSWBXDNNEZIPJX-BYCMXARLSA-N 2 1 355.866 0.953 20 0 FCADMP CCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001499060195 1264001687 /nfs/dbraw/zinc/00/16/87/1264001687.db2.gz ISYQUQLAYOSRPV-VQIMIIECSA-N 2 1 362.522 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580387970 1278211641 /nfs/dbraw/zinc/21/16/41/1278211641.db2.gz JUMMZMYGBKTXDG-HZSPNIEDSA-N 2 1 370.461 0.544 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cc1F ZINC001325182497 1264798058 /nfs/dbraw/zinc/79/80/58/1264798058.db2.gz UELRTYKZQBNGPZ-UHFFFAOYSA-N 2 1 364.421 0.693 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001325372146 1264864204 /nfs/dbraw/zinc/86/42/04/1264864204.db2.gz NNRSTGAGDYRVBK-OAHLLOKOSA-N 2 1 361.490 0.871 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580402929 1278234133 /nfs/dbraw/zinc/23/41/33/1278234133.db2.gz WGIZEWZJHWUDES-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325700864 1264973588 /nfs/dbraw/zinc/97/35/88/1264973588.db2.gz AXLSILVHVCZSMO-KRWDZBQOSA-N 2 1 362.474 0.235 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCn1cnnn1 ZINC001332543311 1266426341 /nfs/dbraw/zinc/42/63/41/1266426341.db2.gz SNDKXZASRMXKEZ-UHFFFAOYSA-N 2 1 363.510 0.718 20 0 FCADMP [NH3+][C@H]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCOCC2)C1 ZINC001580414791 1278261782 /nfs/dbraw/zinc/26/17/82/1278261782.db2.gz NOHQERHYIXHUDA-HNNXBMFYSA-N 2 1 357.462 0.600 20 0 FCADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCNC(=O)CC1 ZINC001332914227 1266504701 /nfs/dbraw/zinc/50/47/01/1266504701.db2.gz QPNLZLNNNKNKNP-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]1CCNC(=O)CC1 ZINC001332914227 1266504712 /nfs/dbraw/zinc/50/47/12/1266504712.db2.gz QPNLZLNNNKNKNP-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]1CCNC(=O)CC1 ZINC001332914227 1266504722 /nfs/dbraw/zinc/50/47/22/1266504722.db2.gz QPNLZLNNNKNKNP-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP O=C(NCC[N@@H+]1CCCOCC1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001332976068 1266514723 /nfs/dbraw/zinc/51/47/23/1266514723.db2.gz MJFAIVDXCWBSOD-UHFFFAOYSA-N 2 1 372.420 0.592 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001332976068 1266514733 /nfs/dbraw/zinc/51/47/33/1266514733.db2.gz MJFAIVDXCWBSOD-UHFFFAOYSA-N 2 1 372.420 0.592 20 0 FCADMP [NH3+][C@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001580415623 1278264074 /nfs/dbraw/zinc/26/40/74/1278264074.db2.gz YEWXBQRDDQXTFW-JYJNAYRXSA-N 2 1 364.494 0.166 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC001333176793 1266547421 /nfs/dbraw/zinc/54/74/21/1266547421.db2.gz BLMVCZAFTZWWMQ-JKSUJKDBSA-N 2 1 361.490 0.167 20 0 FCADMP CCc1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC001333214833 1266557412 /nfs/dbraw/zinc/55/74/12/1266557412.db2.gz JHGWGZNKCUEKLC-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001580417624 1278268546 /nfs/dbraw/zinc/26/85/46/1278268546.db2.gz FUXALLYCTMDKJH-CHWSQXEVSA-N 2 1 358.450 0.475 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001333405060 1266594128 /nfs/dbraw/zinc/59/41/28/1266594128.db2.gz QCASBKZUYGEBRB-KZNAEPCWSA-N 2 1 358.486 0.521 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001333574260 1266636201 /nfs/dbraw/zinc/63/62/01/1266636201.db2.gz HHTOVWBJKKRTBL-CVEARBPZSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001334313288 1266941887 /nfs/dbraw/zinc/94/18/87/1266941887.db2.gz FLXLWQUOLLQLSL-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580448397 1278314172 /nfs/dbraw/zinc/31/41/72/1278314172.db2.gz SJPTVSTVQJCQQD-MELADBBJSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580448397 1278314183 /nfs/dbraw/zinc/31/41/83/1278314183.db2.gz SJPTVSTVQJCQQD-MELADBBJSA-N 2 1 370.461 0.687 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC001335190875 1267395889 /nfs/dbraw/zinc/39/58/89/1267395889.db2.gz WDLQEMHWUFZTEX-BQFCYCMXSA-N 2 1 369.506 0.123 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC001542356222 1267494957 /nfs/dbraw/zinc/49/49/57/1267494957.db2.gz GDBNGQLFDPXURX-DUQPFJRNSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC001542356222 1267494964 /nfs/dbraw/zinc/49/49/64/1267494964.db2.gz GDBNGQLFDPXURX-DUQPFJRNSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572262 1267499908 /nfs/dbraw/zinc/49/99/08/1267499908.db2.gz JSZCZHAUKCKISE-GJZGRUSLSA-N 2 1 354.495 0.107 20 0 FCADMP CC(C)n1cc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]2CO)cn1 ZINC001548421911 1267700863 /nfs/dbraw/zinc/70/08/63/1267700863.db2.gz ATSJLLCFHOTGRF-ZWKOTPCHSA-N 2 1 363.506 0.636 20 0 FCADMP CC(C)n1cc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]2CO)cn1 ZINC001548421911 1267700869 /nfs/dbraw/zinc/70/08/69/1267700869.db2.gz ATSJLLCFHOTGRF-ZWKOTPCHSA-N 2 1 363.506 0.636 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114107 1267813248 /nfs/dbraw/zinc/81/32/48/1267813248.db2.gz BHFWGFNJDGYHAF-APWZRJJASA-N 2 1 358.490 0.576 20 0 FCADMP Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001549186443 1267856612 /nfs/dbraw/zinc/85/66/12/1267856612.db2.gz JJFLOZMCEFFOQH-ZWKOTPCHSA-N 2 1 371.489 0.890 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC001549214235 1267858153 /nfs/dbraw/zinc/85/81/53/1267858153.db2.gz KRBZABMVRASDQE-MCIONIFRSA-N 2 1 358.433 0.926 20 0 FCADMP CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C[C@@H]1C[NH3+] ZINC001549212317 1267858374 /nfs/dbraw/zinc/85/83/74/1267858374.db2.gz AYFDITJFKDWWSP-HZMVEIRTSA-N 2 1 366.506 0.635 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001549336122 1267902456 /nfs/dbraw/zinc/90/24/56/1267902456.db2.gz GBUIXQIKKRABII-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP C[N@H+]1CCC[C@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001549336122 1267902463 /nfs/dbraw/zinc/90/24/63/1267902463.db2.gz GBUIXQIKKRABII-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC001549347934 1267904912 /nfs/dbraw/zinc/90/49/12/1267904912.db2.gz GVQUQAQZKMDDJQ-IKGGRYGDSA-N 2 1 366.506 0.602 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761414 1267993725 /nfs/dbraw/zinc/99/37/25/1267993725.db2.gz GRTMEIIHWTVLGC-DLBZAZTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761414 1267993734 /nfs/dbraw/zinc/99/37/34/1267993734.db2.gz GRTMEIIHWTVLGC-DLBZAZTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC001549761414 1267993742 /nfs/dbraw/zinc/99/37/42/1267993742.db2.gz GRTMEIIHWTVLGC-DLBZAZTESA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC001549761414 1267993746 /nfs/dbraw/zinc/99/37/46/1267993746.db2.gz GRTMEIIHWTVLGC-DLBZAZTESA-N 2 1 361.490 0.733 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3[C@H](O)C(C)(C)[C@H]32)C1 ZINC001549897049 1268015540 /nfs/dbraw/zinc/01/55/40/1268015540.db2.gz BYRXHTNYOLJJPJ-NEPXVJNWSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3[C@H](O)C(C)(C)[C@H]32)C1 ZINC001549897049 1268015546 /nfs/dbraw/zinc/01/55/46/1268015546.db2.gz BYRXHTNYOLJJPJ-NEPXVJNWSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3[C@H](O)C(C)(C)[C@H]32)C1 ZINC001549897049 1268015554 /nfs/dbraw/zinc/01/55/54/1268015554.db2.gz BYRXHTNYOLJJPJ-NEPXVJNWSA-N 2 1 367.534 0.941 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+]4C[C@@H](O)C[C@H]4C3)cc21 ZINC001549941679 1268026788 /nfs/dbraw/zinc/02/67/88/1268026788.db2.gz XMKPNEONDPSTOM-GJZGRUSLSA-N 2 1 373.457 0.195 20 0 FCADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)[C@H]2C1 ZINC001550062884 1268065956 /nfs/dbraw/zinc/06/59/56/1268065956.db2.gz IKDPHXABFYCMJX-SRVKXCTJSA-N 2 1 370.404 0.295 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC001338760231 1268079071 /nfs/dbraw/zinc/07/90/71/1268079071.db2.gz XPHCAKKTCFJKDS-HNNXBMFYSA-N 2 1 351.495 0.324 20 0 FCADMP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001338760231 1268079084 /nfs/dbraw/zinc/07/90/84/1268079084.db2.gz XPHCAKKTCFJKDS-HNNXBMFYSA-N 2 1 351.495 0.324 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001338760231 1268079097 /nfs/dbraw/zinc/07/90/97/1268079097.db2.gz XPHCAKKTCFJKDS-HNNXBMFYSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H](CCC(=O)NC[C@H]1CC[N@@H+](C)C1)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001338824622 1268101639 /nfs/dbraw/zinc/10/16/39/1268101639.db2.gz NPZIPIRLXHSUPZ-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@H]1CC[NH+](C)C1)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001338824622 1268101643 /nfs/dbraw/zinc/10/16/43/1268101643.db2.gz NPZIPIRLXHSUPZ-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@H]1CC[NH+](C)C1)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001338824622 1268101647 /nfs/dbraw/zinc/10/16/47/1268101647.db2.gz NPZIPIRLXHSUPZ-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@H]1CC[N@@H+](C)C1)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC001338824619 1268102246 /nfs/dbraw/zinc/10/22/46/1268102246.db2.gz NPZIPIRLXHSUPZ-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@H]1CC[NH+](C)C1)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001338824619 1268102251 /nfs/dbraw/zinc/10/22/51/1268102251.db2.gz NPZIPIRLXHSUPZ-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@H]1CC[NH+](C)C1)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001338824619 1268102255 /nfs/dbraw/zinc/10/22/55/1268102255.db2.gz NPZIPIRLXHSUPZ-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486073 1268127754 /nfs/dbraw/zinc/12/77/54/1268127754.db2.gz IMERFLQSFPZHNK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486073 1268127756 /nfs/dbraw/zinc/12/77/56/1268127756.db2.gz IMERFLQSFPZHNK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486073 1268127759 /nfs/dbraw/zinc/12/77/59/1268127759.db2.gz IMERFLQSFPZHNK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486073 1268127763 /nfs/dbraw/zinc/12/77/63/1268127763.db2.gz IMERFLQSFPZHNK-KYJUOOMLSA-N 2 1 353.507 0.692 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H](O)C2 ZINC001550485662 1268127824 /nfs/dbraw/zinc/12/78/24/1268127824.db2.gz BKNAPKUYBYARSF-UYKLPWQDSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H](O)C2 ZINC001550485662 1268127827 /nfs/dbraw/zinc/12/78/27/1268127827.db2.gz BKNAPKUYBYARSF-UYKLPWQDSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H](O)C2 ZINC001550485662 1268127833 /nfs/dbraw/zinc/12/78/33/1268127833.db2.gz BKNAPKUYBYARSF-UYKLPWQDSA-N 2 1 353.507 0.429 20 0 FCADMP CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)CN3CC[NH+](C)CC3)C2)[C@@H]1C(C)C ZINC001550697331 1268153767 /nfs/dbraw/zinc/15/37/67/1268153767.db2.gz LXRYMMNZEZXWHQ-CAMMJAKZSA-N 2 1 352.523 0.220 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)CN3CC[NH+](C)CC3)C2)[C@@H]1C(C)C ZINC001550697331 1268153773 /nfs/dbraw/zinc/15/37/73/1268153773.db2.gz LXRYMMNZEZXWHQ-CAMMJAKZSA-N 2 1 352.523 0.220 20 0 FCADMP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730300 1268157825 /nfs/dbraw/zinc/15/78/25/1268157825.db2.gz FCLZOWYZNGKBLD-HZPDHXFCSA-N 2 1 354.495 0.413 20 0 FCADMP CNC(=O)[C@@]12C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414962 1268240761 /nfs/dbraw/zinc/24/07/61/1268240761.db2.gz KNTQAOMZYNHNQF-GIVPXCGWSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414962 1268240768 /nfs/dbraw/zinc/24/07/68/1268240768.db2.gz KNTQAOMZYNHNQF-GIVPXCGWSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414962 1268240774 /nfs/dbraw/zinc/24/07/74/1268240774.db2.gz KNTQAOMZYNHNQF-GIVPXCGWSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]1COCC2 ZINC001551414962 1268240777 /nfs/dbraw/zinc/24/07/77/1268240777.db2.gz KNTQAOMZYNHNQF-GIVPXCGWSA-N 2 1 373.497 0.708 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551574425 1268274496 /nfs/dbraw/zinc/27/44/96/1268274496.db2.gz IQWHLOAGRRITIT-NSWWBONSSA-N 2 1 351.495 0.498 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551576870 1268275939 /nfs/dbraw/zinc/27/59/39/1268275939.db2.gz KKYNCUGGTNHIJO-YQQAZPJKSA-N 2 1 351.495 0.417 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585856 1268279539 /nfs/dbraw/zinc/27/95/39/1268279539.db2.gz BAODMCFSAVIWJG-RYRKJORJSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597795 1268283390 /nfs/dbraw/zinc/28/33/90/1268283390.db2.gz XBWNETZNUAFWBW-NVXWUHKLSA-N 2 1 351.495 0.370 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551940350 1268320048 /nfs/dbraw/zinc/32/00/48/1268320048.db2.gz QEDHXAIRELONGB-HZPDHXFCSA-N 2 1 374.489 0.643 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2C)CC1 ZINC001339903529 1268365877 /nfs/dbraw/zinc/36/58/77/1268365877.db2.gz SWNCKGHTOIIGCK-AWEZNQCLSA-N 2 1 350.467 0.857 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC001552202698 1268409729 /nfs/dbraw/zinc/40/97/29/1268409729.db2.gz AYSANMOBKVUSJT-KFWWJZLASA-N 2 1 364.469 0.965 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001552250958 1268421230 /nfs/dbraw/zinc/42/12/30/1268421230.db2.gz DYDYXGCYBADZTL-QZTJIDSGSA-N 2 1 358.486 0.564 20 0 FCADMP CN1CCC[C@@H]1c1cc(C(=O)N2C[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC001552307428 1268436642 /nfs/dbraw/zinc/43/66/42/1268436642.db2.gz UMZYRAZBFPLIQP-RVKKMQEKSA-N 2 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC001552307428 1268436645 /nfs/dbraw/zinc/43/66/45/1268436645.db2.gz UMZYRAZBFPLIQP-RVKKMQEKSA-N 3 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC001552307428 1268436653 /nfs/dbraw/zinc/43/66/53/1268436653.db2.gz UMZYRAZBFPLIQP-RVKKMQEKSA-N 3 1 362.522 0.988 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001552420644 1268459539 /nfs/dbraw/zinc/45/95/39/1268459539.db2.gz SCNCDWJKAXTMMC-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552476462 1268470715 /nfs/dbraw/zinc/47/07/15/1268470715.db2.gz KMLUSJIWZXPNGG-KONPQCLYSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552476462 1268470719 /nfs/dbraw/zinc/47/07/19/1268470719.db2.gz KMLUSJIWZXPNGG-KONPQCLYSA-N 2 1 368.522 0.725 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606748 1268489499 /nfs/dbraw/zinc/48/94/99/1268489499.db2.gz JNUBVLGMNLLEKA-GVDBMIGSSA-N 2 1 361.494 0.792 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC001552682122 1268519740 /nfs/dbraw/zinc/51/97/40/1268519740.db2.gz DYMIVMRGPHLHTG-INIZCTEOSA-N 2 1 363.506 0.981 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC001552682122 1268519742 /nfs/dbraw/zinc/51/97/42/1268519742.db2.gz DYMIVMRGPHLHTG-INIZCTEOSA-N 2 1 363.506 0.981 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552690561 1268521988 /nfs/dbraw/zinc/52/19/88/1268521988.db2.gz GVIRGWSISLLHAJ-INMHGKMJSA-N 2 1 364.494 0.807 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)CC1 ZINC001552700142 1268523751 /nfs/dbraw/zinc/52/37/51/1268523751.db2.gz QRHSRALIIOFXNX-UHFFFAOYSA-N 2 1 374.533 0.976 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@H]21 ZINC001552698799 1268523885 /nfs/dbraw/zinc/52/38/85/1268523885.db2.gz VAJFKFORAVFQKG-GDBMZVCRSA-N 2 1 359.474 0.717 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)C1 ZINC001552706042 1268525784 /nfs/dbraw/zinc/52/57/84/1268525784.db2.gz BWBACXRZCKPMBU-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)C1 ZINC001552706042 1268525790 /nfs/dbraw/zinc/52/57/90/1268525790.db2.gz BWBACXRZCKPMBU-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001552706042 1268525799 /nfs/dbraw/zinc/52/57/99/1268525799.db2.gz BWBACXRZCKPMBU-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001552706042 1268525810 /nfs/dbraw/zinc/52/58/10/1268525810.db2.gz BWBACXRZCKPMBU-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)CC1 ZINC001552771863 1268542243 /nfs/dbraw/zinc/54/22/43/1268542243.db2.gz VDIJNHIJYSLZQA-DOTOQJQBSA-N 2 1 358.490 0.751 20 0 FCADMP C[C@@H]1[C@H](c2nnc(N3CC[C@@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774633 1268542530 /nfs/dbraw/zinc/54/25/30/1268542530.db2.gz MBYZIBMDDCFLEH-BRWVUGGUSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@H](c2nnc(N3CC[C@@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774633 1268542538 /nfs/dbraw/zinc/54/25/38/1268542538.db2.gz MBYZIBMDDCFLEH-BRWVUGGUSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@H](c2nnc(N3CC[C@@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774633 1268542545 /nfs/dbraw/zinc/54/25/45/1268542545.db2.gz MBYZIBMDDCFLEH-BRWVUGGUSA-N 2 1 361.538 0.839 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552798892 1268549148 /nfs/dbraw/zinc/54/91/48/1268549148.db2.gz GERRVTNDLMXSRX-KURKYZTESA-N 2 1 368.522 0.726 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552798894 1268550544 /nfs/dbraw/zinc/55/05/44/1268550544.db2.gz GERRVTNDLMXSRX-SQNIBIBYSA-N 2 1 368.522 0.726 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552848890 1268559188 /nfs/dbraw/zinc/55/91/88/1268559188.db2.gz OJTICCMYBVNTKM-ZJIFWQFVSA-N 2 1 362.478 0.493 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957740 1268569454 /nfs/dbraw/zinc/56/94/54/1268569454.db2.gz JEIATRPKBPQDQO-KZNAEPCWSA-N 2 1 365.522 0.175 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)[C@@H](O)C2 ZINC001552996892 1268575664 /nfs/dbraw/zinc/57/56/64/1268575664.db2.gz WSWJLJFYGNFOKL-DFEOGRTESA-N 2 1 368.522 0.222 20 0 FCADMP Cc1ccc(C(=O)NCCNC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cc1F ZINC001553383220 1268640496 /nfs/dbraw/zinc/64/04/96/1268640496.db2.gz LENPLDVSWDRVRV-HNAYVOBHSA-N 2 1 362.449 0.521 20 0 FCADMP CCNC(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cc1 ZINC001553389371 1268642103 /nfs/dbraw/zinc/64/21/03/1268642103.db2.gz LEROQRBKOWQDSV-IFXJQAMLSA-N 2 1 360.458 0.681 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553388042 1268642416 /nfs/dbraw/zinc/64/24/16/1268642416.db2.gz DGYJKWOHBMPVPJ-KUHUBIRLSA-N 2 1 371.441 0.218 20 0 FCADMP CCNC(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cc1 ZINC001553389368 1268643171 /nfs/dbraw/zinc/64/31/71/1268643171.db2.gz LEROQRBKOWQDSV-AUUYWEPGSA-N 2 1 360.458 0.681 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553405798 1268645261 /nfs/dbraw/zinc/64/52/61/1268645261.db2.gz DPHCKEKDUZJSEI-SLFFLAALSA-N 2 1 372.513 0.960 20 0 FCADMP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001553441948 1268649804 /nfs/dbraw/zinc/64/98/04/1268649804.db2.gz BZGQWEPWOSIVQW-ZIFCJYIRSA-N 2 1 366.506 0.637 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553431131 1268649992 /nfs/dbraw/zinc/64/99/92/1268649992.db2.gz CXMJOLZBQLKVGZ-KBXCAEBGSA-N 2 1 351.495 0.418 20 0 FCADMP CC1(C)NC(=O)CC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553478734 1268656849 /nfs/dbraw/zinc/65/68/49/1268656849.db2.gz DMJYRHDKDIGKCX-XHSDSOJGSA-N 2 1 363.506 0.654 20 0 FCADMP CC1(C)NC(=O)CC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553478730 1268656960 /nfs/dbraw/zinc/65/69/60/1268656960.db2.gz DMJYRHDKDIGKCX-OWCLPIDISA-N 2 1 363.506 0.654 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553512644 1268661043 /nfs/dbraw/zinc/66/10/43/1268661043.db2.gz WUOPHEDXQRNRSS-NLWGTHIKSA-N 2 1 357.502 0.935 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553512644 1268661053 /nfs/dbraw/zinc/66/10/53/1268661053.db2.gz WUOPHEDXQRNRSS-NLWGTHIKSA-N 2 1 357.502 0.935 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509943 1268661521 /nfs/dbraw/zinc/66/15/21/1268661521.db2.gz XGJZMXOHJNKEND-LVQVYYBASA-N 2 1 354.495 0.633 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509943 1268661526 /nfs/dbraw/zinc/66/15/26/1268661526.db2.gz XGJZMXOHJNKEND-LVQVYYBASA-N 2 1 354.495 0.633 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553512646 1268661756 /nfs/dbraw/zinc/66/17/56/1268661756.db2.gz WUOPHEDXQRNRSS-QWFCFKBJSA-N 2 1 357.502 0.935 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553512646 1268661764 /nfs/dbraw/zinc/66/17/64/1268661764.db2.gz WUOPHEDXQRNRSS-QWFCFKBJSA-N 2 1 357.502 0.935 20 0 FCADMP CC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC001553551900 1268668702 /nfs/dbraw/zinc/66/87/02/1268668702.db2.gz YVXANUZCDLSQJC-OWCLPIDISA-N 2 1 351.495 0.463 20 0 FCADMP CCn1cc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nn1 ZINC001553554746 1268669379 /nfs/dbraw/zinc/66/93/79/1268669379.db2.gz ZTKJBNWMFNSWML-CALCHBBNSA-N 2 1 361.494 0.451 20 0 FCADMP Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001553620489 1268671449 /nfs/dbraw/zinc/67/14/49/1268671449.db2.gz GNLFFKMNPVHHRJ-NXNVCVFFSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001553620489 1268671459 /nfs/dbraw/zinc/67/14/59/1268671459.db2.gz GNLFFKMNPVHHRJ-NXNVCVFFSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001553620489 1268671465 /nfs/dbraw/zinc/67/14/65/1268671465.db2.gz GNLFFKMNPVHHRJ-NXNVCVFFSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001553620489 1268671471 /nfs/dbraw/zinc/67/14/71/1268671471.db2.gz GNLFFKMNPVHHRJ-NXNVCVFFSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001553620489 1268671474 /nfs/dbraw/zinc/67/14/74/1268671474.db2.gz GNLFFKMNPVHHRJ-NXNVCVFFSA-N 2 1 361.490 0.447 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340825233 1268671841 /nfs/dbraw/zinc/67/18/41/1268671841.db2.gz WVPSNRNICJLJFA-HXUWFJFHSA-N 2 1 374.485 0.446 20 0 FCADMP CC[C@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001553641561 1268672241 /nfs/dbraw/zinc/67/22/41/1268672241.db2.gz ORLAAAPIHCPYSU-WMLDXEAASA-N 2 1 363.506 0.979 20 0 FCADMP CC[C@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001553641561 1268672250 /nfs/dbraw/zinc/67/22/50/1268672250.db2.gz ORLAAAPIHCPYSU-WMLDXEAASA-N 2 1 363.506 0.979 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001341172502 1268832446 /nfs/dbraw/zinc/83/24/46/1268832446.db2.gz BVVIFAKVBZQZRO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001341172502 1268832460 /nfs/dbraw/zinc/83/24/60/1268832460.db2.gz BVVIFAKVBZQZRO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001341172502 1268832468 /nfs/dbraw/zinc/83/24/68/1268832468.db2.gz BVVIFAKVBZQZRO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001341172502 1268832478 /nfs/dbraw/zinc/83/24/78/1268832478.db2.gz BVVIFAKVBZQZRO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244084 1268884575 /nfs/dbraw/zinc/88/45/75/1268884575.db2.gz LNEAHALVTUESEB-RDTXWAMCSA-N 2 1 372.469 0.922 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001341506143 1269040262 /nfs/dbraw/zinc/04/02/62/1269040262.db2.gz ILVWECZNNRCZIO-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001559915736 1269181211 /nfs/dbraw/zinc/18/12/11/1269181211.db2.gz YQPAMAWNECTYSM-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001559915736 1269181218 /nfs/dbraw/zinc/18/12/18/1269181218.db2.gz YQPAMAWNECTYSM-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](O)[C@H](CO)C1 ZINC001559915736 1269181220 /nfs/dbraw/zinc/18/12/20/1269181220.db2.gz YQPAMAWNECTYSM-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](O)[C@H](CO)C1 ZINC001559915736 1269181226 /nfs/dbraw/zinc/18/12/26/1269181226.db2.gz YQPAMAWNECTYSM-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844830 1269243271 /nfs/dbraw/zinc/24/32/71/1269243271.db2.gz LOSAHYSOWCQCPF-HKUYNNGSSA-N 3 1 371.529 0.484 20 0 FCADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844830 1269243274 /nfs/dbraw/zinc/24/32/74/1269243274.db2.gz LOSAHYSOWCQCPF-HKUYNNGSSA-N 2 1 371.529 0.484 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844830 1269243280 /nfs/dbraw/zinc/24/32/80/1269243280.db2.gz LOSAHYSOWCQCPF-HKUYNNGSSA-N 2 1 371.529 0.484 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001342929638 1269683074 /nfs/dbraw/zinc/68/30/74/1269683074.db2.gz JZSPIMFFOHFNSS-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC[C@@H]2CCCO2)C2CC2)CC[N@@H+]1C ZINC001567442178 1269693993 /nfs/dbraw/zinc/69/39/93/1269693993.db2.gz GKBPJDGOIFOIFM-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC[C@@H]2CCCO2)C2CC2)CC[N@H+]1C ZINC001567442178 1269694001 /nfs/dbraw/zinc/69/40/01/1269694001.db2.gz GKBPJDGOIFOIFM-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C2CC2)CC[NH+]1C ZINC001567442178 1269694007 /nfs/dbraw/zinc/69/40/07/1269694007.db2.gz GKBPJDGOIFOIFM-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C2CC2)CC[NH+]1C ZINC001567442178 1269694016 /nfs/dbraw/zinc/69/40/16/1269694016.db2.gz GKBPJDGOIFOIFM-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036090 1269742397 /nfs/dbraw/zinc/74/23/97/1269742397.db2.gz CDSBDJKADROFNE-RDTXWAMCSA-N 2 1 372.469 0.922 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC ZINC001343103705 1269773119 /nfs/dbraw/zinc/77/31/19/1269773119.db2.gz XALJUEWXZQAUPL-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C ZINC001343115354 1269780578 /nfs/dbraw/zinc/78/05/78/1269780578.db2.gz BPNIBHZRUAXWRO-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001343115354 1269780589 /nfs/dbraw/zinc/78/05/89/1269780589.db2.gz BPNIBHZRUAXWRO-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001343115354 1269780598 /nfs/dbraw/zinc/78/05/98/1269780598.db2.gz BPNIBHZRUAXWRO-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001343452955 1269913444 /nfs/dbraw/zinc/91/34/44/1269913444.db2.gz NIACUUAGEDTWNM-LJQANCHMSA-N 2 1 359.518 0.344 20 0 FCADMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001572970809 1270428963 /nfs/dbraw/zinc/42/89/63/1270428963.db2.gz PDIHZWLRYNHKLF-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001573518727 1270807243 /nfs/dbraw/zinc/80/72/43/1270807243.db2.gz PMPIMNWPQSCKDX-UHFFFAOYSA-N 2 1 350.511 0.997 20 0 FCADMP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001573518727 1270807257 /nfs/dbraw/zinc/80/72/57/1270807257.db2.gz PMPIMNWPQSCKDX-UHFFFAOYSA-N 2 1 350.511 0.997 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599202 1271401535 /nfs/dbraw/zinc/40/15/35/1271401535.db2.gz ZTTVQITUMLLSOR-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574777024 1271508132 /nfs/dbraw/zinc/50/81/32/1271508132.db2.gz VVBPSSRTXVORJI-GFCCVEGCSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574781474 1271515953 /nfs/dbraw/zinc/51/59/53/1271515953.db2.gz KVMZCABIZYOVRQ-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574781474 1271515958 /nfs/dbraw/zinc/51/59/58/1271515958.db2.gz KVMZCABIZYOVRQ-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574781474 1271515961 /nfs/dbraw/zinc/51/59/61/1271515961.db2.gz KVMZCABIZYOVRQ-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874887 1271629246 /nfs/dbraw/zinc/62/92/46/1271629246.db2.gz FLCRIKMSTRPCOM-VXGBXAGGSA-N 2 1 361.425 0.552 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](C[C@@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198941 1271781614 /nfs/dbraw/zinc/78/16/14/1271781614.db2.gz UEATZRIUUUKVJV-QZTJIDSGSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](C[C@@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198941 1271781615 /nfs/dbraw/zinc/78/16/15/1271781615.db2.gz UEATZRIUUUKVJV-QZTJIDSGSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1c[nH]nn1 ZINC001575353102 1271981663 /nfs/dbraw/zinc/98/16/63/1271981663.db2.gz VGAFNSSAQAPVEA-IIAWOOMASA-N 2 1 351.499 0.883 20 0 FCADMP CC(C)[C@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575458011 1272128260 /nfs/dbraw/zinc/12/82/60/1272128260.db2.gz AMHBQIVEAYPFFX-LSDHHAIUSA-N 2 1 372.477 0.239 20 0 FCADMP CC(C)[C@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575458011 1272128263 /nfs/dbraw/zinc/12/82/63/1272128263.db2.gz AMHBQIVEAYPFFX-LSDHHAIUSA-N 2 1 372.477 0.239 20 0 FCADMP CC(C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001575879905 1272544761 /nfs/dbraw/zinc/54/47/61/1272544761.db2.gz PZDKZOJTGOIUCT-HNNXBMFYSA-N 2 1 365.526 0.739 20 0 FCADMP C[C@H](CNC(=O)CCN1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001576016649 1272715730 /nfs/dbraw/zinc/71/57/30/1272715730.db2.gz ZAIKHHAIJKNQPR-GOSISDBHSA-N 2 1 359.518 0.609 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC001576066343 1272818766 /nfs/dbraw/zinc/81/87/66/1272818766.db2.gz TXECGCWNLNXTIL-HNNXBMFYSA-N 2 1 371.489 0.988 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[N@@H+](C)CCN1C ZINC001576207664 1272989493 /nfs/dbraw/zinc/98/94/93/1272989493.db2.gz QBVDLHLNULUBQQ-JYJNAYRXSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC001576207664 1272989505 /nfs/dbraw/zinc/98/95/05/1272989505.db2.gz QBVDLHLNULUBQQ-JYJNAYRXSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CN(C)CC[N@H+]1C ZINC001576207664 1272989508 /nfs/dbraw/zinc/98/95/08/1272989508.db2.gz QBVDLHLNULUBQQ-JYJNAYRXSA-N 2 1 353.511 0.079 20 0 FCADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001576257477 1273043322 /nfs/dbraw/zinc/04/33/22/1273043322.db2.gz AYPFJCXCMAKVAI-GUYCJALGSA-N 2 1 358.483 0.049 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCc2cn[nH]n2)C1 ZINC001576479190 1273318724 /nfs/dbraw/zinc/31/87/24/1273318724.db2.gz FKFGGGHZRBZLBW-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCc2c[nH]nn2)C1 ZINC001576479190 1273318735 /nfs/dbraw/zinc/31/87/35/1273318735.db2.gz FKFGGGHZRBZLBW-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCc2c[nH]nn2)C1 ZINC001576479190 1273318739 /nfs/dbraw/zinc/31/87/39/1273318739.db2.gz FKFGGGHZRBZLBW-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485431 1273333899 /nfs/dbraw/zinc/33/38/99/1273333899.db2.gz LTDOOSQQYJMWCD-GOEBONIOSA-N 2 1 350.467 0.244 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485431 1273333906 /nfs/dbraw/zinc/33/39/06/1273333906.db2.gz LTDOOSQQYJMWCD-GOEBONIOSA-N 2 1 350.467 0.244 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cnn[nH]3)CCOCC2)C1 ZINC001576486721 1273335352 /nfs/dbraw/zinc/33/53/52/1273335352.db2.gz ZRXOJCDZUUMKQP-OAHLLOKOSA-N 2 1 364.494 0.682 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001576709931 1273579767 /nfs/dbraw/zinc/57/97/67/1273579767.db2.gz WQBVJOAGWMLDKI-LSDHHAIUSA-N 2 1 363.510 0.686 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001576800569 1273706821 /nfs/dbraw/zinc/70/68/21/1273706821.db2.gz KGTCEUCOBPZLLR-HUUCEWRRSA-N 2 1 354.495 0.901 20 0 FCADMP C[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001576800571 1273708091 /nfs/dbraw/zinc/70/80/91/1273708091.db2.gz KGTCEUCOBPZLLR-LSDHHAIUSA-N 2 1 354.495 0.901 20 0 FCADMP C[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001576800568 1273708200 /nfs/dbraw/zinc/70/82/00/1273708200.db2.gz KGTCEUCOBPZLLR-GJZGRUSLSA-N 2 1 354.495 0.901 20 0 FCADMP C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001576823239 1273746149 /nfs/dbraw/zinc/74/61/49/1273746149.db2.gz BFBSMBAZTBHIJS-JKSUJKDBSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001576823239 1273746153 /nfs/dbraw/zinc/74/61/53/1273746153.db2.gz BFBSMBAZTBHIJS-JKSUJKDBSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576840000 1273777190 /nfs/dbraw/zinc/77/71/90/1273777190.db2.gz YFWAIWXXKODHHI-KBXCAEBGSA-N 2 1 350.511 0.731 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576848639 1273797485 /nfs/dbraw/zinc/79/74/85/1273797485.db2.gz XEVBLZMNKZEMAP-SWLSCSKDSA-N 2 1 358.450 0.393 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850001 1273801502 /nfs/dbraw/zinc/80/15/02/1273801502.db2.gz NZJPLQXRMWJPLR-ILXRZTDVSA-N 2 1 361.494 0.464 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cnn[nH]4)CC3)C2)C1 ZINC001576877371 1273858005 /nfs/dbraw/zinc/85/80/05/1273858005.db2.gz UZLCPODYONVCCH-SYJJWHGVSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCOC3(CCC([NH2+]Cc4c[nH]nn4)CC3)C2)C1 ZINC001576877371 1273858025 /nfs/dbraw/zinc/85/80/25/1273858025.db2.gz UZLCPODYONVCCH-SYJJWHGVSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCOC3(CCC([NH2+]Cc4c[nH]nn4)CC3)C2)C1 ZINC001576877371 1273858031 /nfs/dbraw/zinc/85/80/31/1273858031.db2.gz UZLCPODYONVCCH-SYJJWHGVSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cn[nH]n4)CC3)C2)C1 ZINC001576877371 1273858040 /nfs/dbraw/zinc/85/80/40/1273858040.db2.gz UZLCPODYONVCCH-SYJJWHGVSA-N 2 1 362.478 0.386 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCOC3(CCC([NH2+]Cc4cn[nH]n4)CC3)C2)C1 ZINC001576877371 1273858050 /nfs/dbraw/zinc/85/80/50/1273858050.db2.gz UZLCPODYONVCCH-SYJJWHGVSA-N 2 1 362.478 0.386 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)C1 ZINC001576996865 1274029146 /nfs/dbraw/zinc/02/91/46/1274029146.db2.gz XXELKMZINXIOGK-KFWWJZLASA-N 2 1 363.510 0.492 20 0 FCADMP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001577090558 1274149010 /nfs/dbraw/zinc/14/90/10/1274149010.db2.gz STEQRZUPZWITBC-GJZGRUSLSA-N 2 1 350.467 0.121 20 0 FCADMP CC[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577137628 1274188802 /nfs/dbraw/zinc/18/88/02/1274188802.db2.gz GNJNOWPAINMRPN-HUUCEWRRSA-N 2 1 352.483 0.288 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001580745558 1278854376 /nfs/dbraw/zinc/85/43/76/1278854376.db2.gz STCSOXXGWGSPIJ-KZNAEPCWSA-N 2 1 362.449 0.732 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001580745558 1278854379 /nfs/dbraw/zinc/85/43/79/1278854379.db2.gz STCSOXXGWGSPIJ-KZNAEPCWSA-N 2 1 362.449 0.732 20 0 FCADMP CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)CC1 ZINC001577507147 1274459628 /nfs/dbraw/zinc/45/96/28/1274459628.db2.gz GILYGNSSKNPWII-GASCZTMLSA-N 2 1 363.510 0.541 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577553788 1274494643 /nfs/dbraw/zinc/49/46/43/1274494643.db2.gz IVHCVBWRPBUHBJ-UHFFFAOYSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554073 1274496108 /nfs/dbraw/zinc/49/61/08/1274496108.db2.gz PDIYJECYYULDNJ-AWEZNQCLSA-N 2 1 372.477 0.949 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577554487 1274496533 /nfs/dbraw/zinc/49/65/33/1274496533.db2.gz SJYCTMQULRZRSS-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577563013 1274515961 /nfs/dbraw/zinc/51/59/61/1274515961.db2.gz KDHRSCXCBZVFFU-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577563013 1274515967 /nfs/dbraw/zinc/51/59/67/1274515967.db2.gz KDHRSCXCBZVFFU-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577563013 1274515973 /nfs/dbraw/zinc/51/59/73/1274515973.db2.gz KDHRSCXCBZVFFU-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565289 1274519494 /nfs/dbraw/zinc/51/94/94/1274519494.db2.gz MWYXFVLVLAOWLZ-HDJSIYSDSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577567861 1274524505 /nfs/dbraw/zinc/52/45/05/1274524505.db2.gz JJGCMHBXQFGSQL-UHFFFAOYSA-N 2 1 360.466 0.594 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568271 1274526418 /nfs/dbraw/zinc/52/64/18/1274526418.db2.gz OFAFEDALRRRFOF-AWEZNQCLSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568524 1274527402 /nfs/dbraw/zinc/52/74/02/1274527402.db2.gz SWRHEEHCUMCAFX-CJNGLKHVSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568525 1274528513 /nfs/dbraw/zinc/52/85/13/1274528513.db2.gz SWRHEEHCUMCAFX-CZUORRHYSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577670050 1274698666 /nfs/dbraw/zinc/69/86/66/1274698666.db2.gz SJVILOCXQVVJSI-MRXNPFEDSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673647 1274708416 /nfs/dbraw/zinc/70/84/16/1274708416.db2.gz SYCRDRTWMOXDGM-HNNXBMFYSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1)C(C)C ZINC001577731071 1274806320 /nfs/dbraw/zinc/80/63/20/1274806320.db2.gz FYAVRKMZJWVFQV-OAHLLOKOSA-N 2 1 363.510 0.668 20 0 FCADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1)C1CC1 ZINC001577730958 1274806525 /nfs/dbraw/zinc/80/65/25/1274806525.db2.gz BBIHHTOUJFHWOJ-UKRRQHHQSA-N 2 1 361.494 0.512 20 0 FCADMP CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC001577731011 1274806949 /nfs/dbraw/zinc/80/69/49/1274806949.db2.gz CVMQAYCSYBALBE-OAHLLOKOSA-N 2 1 359.478 0.921 20 0 FCADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC001577730956 1274807827 /nfs/dbraw/zinc/80/78/27/1274807827.db2.gz BBIHHTOUJFHWOJ-DZGCQCFKSA-N 2 1 361.494 0.512 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[NH2+][C@H](C)C2)C1 ZINC001577763565 1274845270 /nfs/dbraw/zinc/84/52/70/1274845270.db2.gz FBJMDJFCTOTQJP-CABCVRRESA-N 2 1 356.478 0.875 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3OC)CC2)CC1 ZINC001577767465 1274853538 /nfs/dbraw/zinc/85/35/38/1274853538.db2.gz LOQGDKZMNBOMQX-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3OC)CC2)CC1 ZINC001577767465 1274853547 /nfs/dbraw/zinc/85/35/47/1274853547.db2.gz LOQGDKZMNBOMQX-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1C[C@@H](C[NH3+])[C@H](C(=O)OC)C1 ZINC001577773374 1274860542 /nfs/dbraw/zinc/86/05/42/1274860542.db2.gz CWTROJBHIZVIAP-OWCLPIDISA-N 2 1 364.494 0.645 20 0 FCADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3C[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775994 1274865856 /nfs/dbraw/zinc/86/58/56/1274865856.db2.gz UWYRXHJHKRMOPS-QZTJIDSGSA-N 2 1 361.538 0.802 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001577775797 1274866760 /nfs/dbraw/zinc/86/67/60/1274866760.db2.gz QLNIMFTYADBPKS-UHFFFAOYSA-N 2 1 351.495 0.417 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH2+]C)C[C@H]1C ZINC001577780950 1274877178 /nfs/dbraw/zinc/87/71/78/1274877178.db2.gz HRNZVISHNVIBMV-LSDHHAIUSA-N 2 1 363.510 0.652 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577852216 1274996425 /nfs/dbraw/zinc/99/64/25/1274996425.db2.gz MHVPWXAETWGNSR-DZGCQCFKSA-N 2 1 372.477 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577855558 1275006360 /nfs/dbraw/zinc/00/63/60/1275006360.db2.gz JDSYBAMXGZWVPT-CQSZACIVSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577855771 1275010551 /nfs/dbraw/zinc/01/05/51/1275010551.db2.gz PMTMJLJPNYGFOW-JSGCOSHPSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577860157 1275023338 /nfs/dbraw/zinc/02/33/38/1275023338.db2.gz SEIVVUNQMKRSFC-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863360 1275036804 /nfs/dbraw/zinc/03/68/04/1275036804.db2.gz VCZABYVEWCTIMQ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863360 1275036810 /nfs/dbraw/zinc/03/68/10/1275036810.db2.gz VCZABYVEWCTIMQ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863360 1275036813 /nfs/dbraw/zinc/03/68/13/1275036813.db2.gz VCZABYVEWCTIMQ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001577865324 1275041027 /nfs/dbraw/zinc/04/10/27/1275041027.db2.gz JWXKHTNBBMMGGT-ILXRZTDVSA-N 2 1 363.510 0.758 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866350 1275043477 /nfs/dbraw/zinc/04/34/77/1275043477.db2.gz FKUZTDQPMARUIJ-GFCCVEGCSA-N 2 1 360.466 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577866712 1275045104 /nfs/dbraw/zinc/04/51/04/1275045104.db2.gz KEFCSNJXBAGRKJ-UHFFFAOYSA-N 2 1 372.477 0.785 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577872104 1275059798 /nfs/dbraw/zinc/05/97/98/1275059798.db2.gz VLSONUAGBVVEHP-IYBDPMFKSA-N 2 1 357.462 0.945 20 0 FCADMP O=C(NC[C@@H](CO)[NH2+]CCc1cn[nH]n1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986368 1275224477 /nfs/dbraw/zinc/22/44/77/1275224477.db2.gz AVBGLGFUBQTAPE-DOTOQJQBSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@@H](CO)[NH2+]CCc1c[nH]nn1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986368 1275224482 /nfs/dbraw/zinc/22/44/82/1275224482.db2.gz AVBGLGFUBQTAPE-DOTOQJQBSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@@H](CO)[NH2+]CCc1c[nH]nn1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986368 1275224488 /nfs/dbraw/zinc/22/44/88/1275224488.db2.gz AVBGLGFUBQTAPE-DOTOQJQBSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NCC1CC([NH2+]CCc2cn[nH]n2)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001577995928 1275247487 /nfs/dbraw/zinc/24/74/87/1275247487.db2.gz CLTCZEFKCRSZHI-UHFFFAOYSA-N 2 1 373.461 0.729 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCC[NH2+]C)CC1 ZINC001578115678 1275417328 /nfs/dbraw/zinc/41/73/28/1275417328.db2.gz SPWVHKNGFGECBE-INIZCTEOSA-N 2 1 366.510 0.550 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001578194518 1275483689 /nfs/dbraw/zinc/48/36/89/1275483689.db2.gz HYXPEXBCEDPAKR-OLZOCXBDSA-N 2 1 358.450 0.544 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001578194518 1275483693 /nfs/dbraw/zinc/48/36/93/1275483693.db2.gz HYXPEXBCEDPAKR-OLZOCXBDSA-N 2 1 358.450 0.544 20 0 FCADMP CC[N@@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578217710 1275511809 /nfs/dbraw/zinc/51/18/09/1275511809.db2.gz OPLLUMAJGRDVIR-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578217710 1275511813 /nfs/dbraw/zinc/51/18/13/1275511813.db2.gz OPLLUMAJGRDVIR-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH2+]C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578311661 1275651135 /nfs/dbraw/zinc/65/11/35/1275651135.db2.gz JMTGOBONPMCGGY-HNNXBMFYSA-N 2 1 350.511 0.997 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH2+]C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578311661 1275651139 /nfs/dbraw/zinc/65/11/39/1275651139.db2.gz JMTGOBONPMCGGY-HNNXBMFYSA-N 2 1 350.511 0.997 20 0 FCADMP CCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578315633 1275654780 /nfs/dbraw/zinc/65/47/80/1275654780.db2.gz VBFLAHHMIPHYHK-SJORKVTESA-N 2 1 363.554 0.912 20 0 FCADMP CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1([NH3+])COC1 ZINC001578323922 1275667367 /nfs/dbraw/zinc/66/73/67/1275667367.db2.gz AKJFEAIIYCRQFY-AWEZNQCLSA-N 2 1 364.494 0.258 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578397760 1275772062 /nfs/dbraw/zinc/77/20/62/1275772062.db2.gz XFHKOIKWBWEPNC-HOTGVXAUSA-N 2 1 353.511 0.618 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446728 1275831727 /nfs/dbraw/zinc/83/17/27/1275831727.db2.gz FIDJPKCLFWTYMV-HEHGZKQESA-N 2 1 372.477 0.639 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578449103 1275844602 /nfs/dbraw/zinc/84/46/02/1275844602.db2.gz VQLOIQYNZKNGLY-SLEUVZQESA-N 2 1 358.450 0.331 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578449104 1275845582 /nfs/dbraw/zinc/84/55/82/1275845582.db2.gz VQLOIQYNZKNGLY-TYNCELHUSA-N 2 1 358.450 0.331 20 0 FCADMP C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC001578481045 1275894515 /nfs/dbraw/zinc/89/45/15/1275894515.db2.gz LBBKHYXRWXXHAE-DZGCQCFKSA-N 2 1 361.494 0.641 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001578525564 1275957154 /nfs/dbraw/zinc/95/71/54/1275957154.db2.gz HTJIUFNJUNNUEY-LPHOPBHVSA-N 2 1 372.473 0.176 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCCO3)nnc2N2CCC([NH3+])CC2)C1 ZINC001578526019 1275959501 /nfs/dbraw/zinc/95/95/01/1275959501.db2.gz XDVSFDDCKOJBLS-RHSMWYFYSA-N 2 1 350.467 0.124 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528127 1275959979 /nfs/dbraw/zinc/95/99/79/1275959979.db2.gz DMMSFJAQQXPOMV-ZWKOTPCHSA-N 2 1 356.470 0.638 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)c2cn3cc(C[NH3+])ccc3n2)CC1 ZINC001578533565 1275964634 /nfs/dbraw/zinc/96/46/34/1275964634.db2.gz NHYNAOALLQFYAN-UHFFFAOYSA-N 2 1 358.490 0.939 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)C1 ZINC001578669917 1276123735 /nfs/dbraw/zinc/12/37/35/1276123735.db2.gz UJYCLHRSBOZUNA-CABCVRRESA-N 2 1 363.510 0.615 20 0 FCADMP C[NH2+]CCn1c(-c2ccccn2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001578720613 1276194158 /nfs/dbraw/zinc/19/41/58/1276194158.db2.gz IVIQVIHLSBPZPA-IBGZPJMESA-N 2 1 371.489 0.861 20 0 FCADMP COC(=O)C1=C(C)O[C@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784196 1276265238 /nfs/dbraw/zinc/26/52/38/1276265238.db2.gz RYSUIHXIQDNEKH-VIRABCJISA-N 2 1 351.403 0.089 20 0 FCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893825 1276427917 /nfs/dbraw/zinc/42/79/17/1276427917.db2.gz QGXZGTYKGKCPHQ-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893825 1276427919 /nfs/dbraw/zinc/42/79/19/1276427919.db2.gz QGXZGTYKGKCPHQ-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893825 1276427921 /nfs/dbraw/zinc/42/79/21/1276427921.db2.gz QGXZGTYKGKCPHQ-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578987363 1276557787 /nfs/dbraw/zinc/55/77/87/1276557787.db2.gz AJMXPRHLYHAIBA-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP COC[C@@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578990311 1276563937 /nfs/dbraw/zinc/56/39/37/1276563937.db2.gz QOZQNVLHNAXVCE-ZXFNITATSA-N 2 1 364.494 0.022 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC001579020678 1276599798 /nfs/dbraw/zinc/59/97/98/1276599798.db2.gz HNHOKXLFNHWHAV-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH3+])C[C@@H]1C ZINC001579037576 1276621126 /nfs/dbraw/zinc/62/11/26/1276621126.db2.gz RWCXMLDMCWWSPZ-OWCLPIDISA-N 2 1 366.510 0.881 20 0 FCADMP COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2C[NH2+]C2)CC1 ZINC001579038525 1276624820 /nfs/dbraw/zinc/62/48/20/1276624820.db2.gz HVHPKIIOQZFTMY-UHFFFAOYSA-N 2 1 357.462 0.328 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579131959 1276821939 /nfs/dbraw/zinc/82/19/39/1276821939.db2.gz HVLZMLHPKFMAFE-GFCCVEGCSA-N 2 1 363.491 0.770 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579131959 1276821940 /nfs/dbraw/zinc/82/19/40/1276821940.db2.gz HVLZMLHPKFMAFE-GFCCVEGCSA-N 2 1 363.491 0.770 20 0 FCADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579167488 1276918189 /nfs/dbraw/zinc/91/81/89/1276918189.db2.gz YRLSUYLCYSPKTQ-UHFFFAOYSA-N 2 1 373.436 0.650 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579167488 1276918199 /nfs/dbraw/zinc/91/81/99/1276918199.db2.gz YRLSUYLCYSPKTQ-UHFFFAOYSA-N 2 1 373.436 0.650 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172301 1276927450 /nfs/dbraw/zinc/92/74/50/1276927450.db2.gz PEXJGVACHYEAKX-GFCCVEGCSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172301 1276927455 /nfs/dbraw/zinc/92/74/55/1276927455.db2.gz PEXJGVACHYEAKX-GFCCVEGCSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172301 1276927460 /nfs/dbraw/zinc/92/74/60/1276927460.db2.gz PEXJGVACHYEAKX-GFCCVEGCSA-N 2 1 361.425 0.506 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001579214436 1277009964 /nfs/dbraw/zinc/00/99/64/1277009964.db2.gz CMTODHVUMVQWPY-CZUORRHYSA-N 2 1 370.461 0.571 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001579215106 1277010856 /nfs/dbraw/zinc/01/08/56/1277010856.db2.gz XYJHDGYTGMQOKP-CJNGLKHVSA-N 2 1 370.461 0.571 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160579 1287267708 /nfs/dbraw/zinc/26/77/08/1287267708.db2.gz PVZXKKNMCPRWEY-AIEDFZFUSA-N 2 1 360.462 0.381 20 0 FCADMP COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC001579284723 1277106216 /nfs/dbraw/zinc/10/62/16/1277106216.db2.gz MQHQOZWDTNULDQ-OAHLLOKOSA-N 2 1 351.447 0.033 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322752 1277137795 /nfs/dbraw/zinc/13/77/95/1277137795.db2.gz GOVZELKWXKUOKD-CJNGLKHVSA-N 2 1 370.461 0.284 20 0 FCADMP CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325278 1277142700 /nfs/dbraw/zinc/14/27/00/1277142700.db2.gz GYNOKLLFYGSRJY-KBPBESRZSA-N 2 1 370.461 0.498 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325467 1277146231 /nfs/dbraw/zinc/14/62/31/1277146231.db2.gz CWQBBQUNPWPODO-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326483 1277149123 /nfs/dbraw/zinc/14/91/23/1277149123.db2.gz JYFQMSSUVNBOSH-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579326810 1277152029 /nfs/dbraw/zinc/15/20/29/1277152029.db2.gz MQPRWESWYBGUEV-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331603 1277162862 /nfs/dbraw/zinc/16/28/62/1277162862.db2.gz CWTCIBFJKJBCMU-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331603 1277162869 /nfs/dbraw/zinc/16/28/69/1277162869.db2.gz CWTCIBFJKJBCMU-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331603 1277162872 /nfs/dbraw/zinc/16/28/72/1277162872.db2.gz CWTCIBFJKJBCMU-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332492 1277165181 /nfs/dbraw/zinc/16/51/81/1277165181.db2.gz KSNAVMBIIUMVJZ-WFASDCNBSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332492 1277165182 /nfs/dbraw/zinc/16/51/82/1277165182.db2.gz KSNAVMBIIUMVJZ-WFASDCNBSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332492 1277165183 /nfs/dbraw/zinc/16/51/83/1277165183.db2.gz KSNAVMBIIUMVJZ-WFASDCNBSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332492 1277165184 /nfs/dbraw/zinc/16/51/84/1277165184.db2.gz KSNAVMBIIUMVJZ-WFASDCNBSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579334595 1277173178 /nfs/dbraw/zinc/17/31/78/1277173178.db2.gz GNRDKMZLIBRMCF-LBPRGKRZSA-N 2 1 361.475 0.428 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579334595 1277173179 /nfs/dbraw/zinc/17/31/79/1277173179.db2.gz GNRDKMZLIBRMCF-LBPRGKRZSA-N 2 1 361.475 0.428 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579339599 1277183395 /nfs/dbraw/zinc/18/33/95/1277183395.db2.gz KHNMWJXQOZHUJI-SOUVJXGZSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340041 1277184583 /nfs/dbraw/zinc/18/45/83/1277184583.db2.gz PMJKZSAUKJHMEO-KFWWJZLASA-N 2 1 373.436 0.694 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579340027 1277185052 /nfs/dbraw/zinc/18/50/52/1277185052.db2.gz PJESKYFLNFPHPP-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340045 1277186009 /nfs/dbraw/zinc/18/60/09/1277186009.db2.gz PMJKZSAUKJHMEO-RBSFLKMASA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343657 1277193088 /nfs/dbraw/zinc/19/30/88/1277193088.db2.gz AXLMUKBESBEMHM-MELADBBJSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579346971 1277199142 /nfs/dbraw/zinc/19/91/42/1277199142.db2.gz VLIJUXCHGOEVSQ-OAHLLOKOSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579347293 1277201112 /nfs/dbraw/zinc/20/11/12/1277201112.db2.gz AHODPUPLNZKFFU-BPUTZDHNSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347884 1277201127 /nfs/dbraw/zinc/20/11/27/1277201127.db2.gz NTMFOIHODGOJKA-JHJVBQTASA-N 2 1 356.434 0.085 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352915 1277209493 /nfs/dbraw/zinc/20/94/93/1277209493.db2.gz BCZHJOHXEBZLPJ-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352915 1277209494 /nfs/dbraw/zinc/20/94/94/1277209494.db2.gz BCZHJOHXEBZLPJ-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352915 1277209495 /nfs/dbraw/zinc/20/94/95/1277209495.db2.gz BCZHJOHXEBZLPJ-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355050 1277217699 /nfs/dbraw/zinc/21/76/99/1277217699.db2.gz CHJFPPHTLDTMLQ-SJORKVTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357008 1277223982 /nfs/dbraw/zinc/22/39/82/1277223982.db2.gz SJIOUQYVKAFXOS-GDBMZVCRSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579358433 1277227035 /nfs/dbraw/zinc/22/70/35/1277227035.db2.gz DNPNNORJFQJPIV-OAHLLOKOSA-N 2 1 355.446 0.699 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358314 1277227158 /nfs/dbraw/zinc/22/71/58/1277227158.db2.gz BSZDFXFPPDWPJV-INIZCTEOSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361599 1277239432 /nfs/dbraw/zinc/23/94/32/1277239432.db2.gz OUYPRTDVJYQESS-HOCLYGCPSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361599 1277239436 /nfs/dbraw/zinc/23/94/36/1277239436.db2.gz OUYPRTDVJYQESS-HOCLYGCPSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361599 1277239439 /nfs/dbraw/zinc/23/94/39/1277239439.db2.gz OUYPRTDVJYQESS-HOCLYGCPSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579375031 1277256965 /nfs/dbraw/zinc/25/69/65/1277256965.db2.gz PFPJVUHGEYTNIC-DJIMGWMZSA-N 2 1 369.473 0.945 20 0 FCADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529929 1277492248 /nfs/dbraw/zinc/49/22/48/1277492248.db2.gz ONKPYTHZGWGWJF-JXFKEZNVSA-N 2 1 355.486 0.975 20 0 FCADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646673 1277715043 /nfs/dbraw/zinc/71/50/43/1277715043.db2.gz OWWHJBWLBPHHJV-ROUUACIJSA-N 2 1 357.502 0.994 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@@H](C)C[NH3+])o1 ZINC001579652901 1277721596 /nfs/dbraw/zinc/72/15/96/1277721596.db2.gz ITOKELGDFYPCSG-DZGCQCFKSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@@H](C)C[NH3+])o1 ZINC001579652901 1277721600 /nfs/dbraw/zinc/72/16/00/1277721600.db2.gz ITOKELGDFYPCSG-DZGCQCFKSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]([NH2+]CCO)C2)cn1 ZINC001579881727 1277948665 /nfs/dbraw/zinc/94/86/65/1277948665.db2.gz JUDIKOYAPIJXND-MRXNPFEDSA-N 2 1 358.446 0.832 20 0 FCADMP Cc1[nH+]ccn1CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579883786 1277948694 /nfs/dbraw/zinc/94/86/94/1277948694.db2.gz ZLFXWKVUOASCOU-OAHLLOKOSA-N 2 1 355.450 0.811 20 0 FCADMP Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001579883091 1277949345 /nfs/dbraw/zinc/94/93/45/1277949345.db2.gz JUFIUAIBZXQHNQ-SOUVJXGZSA-N 2 1 372.477 0.390 20 0 FCADMP Cc1[nH+]ccn1CCn1c(CN2CCCC2=O)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579883529 1277949496 /nfs/dbraw/zinc/94/94/96/1277949496.db2.gz VTFHBSTWCMYXIE-CQSZACIVSA-N 2 1 372.477 0.404 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC001580222542 1278046161 /nfs/dbraw/zinc/04/61/61/1278046161.db2.gz XBVSWOPULKVCAU-CVEARBPZSA-N 2 1 353.511 0.781 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940504 1279148212 /nfs/dbraw/zinc/14/82/12/1279148212.db2.gz AIVSVAPSDWDLNG-TZMCWYRMSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942760 1279150799 /nfs/dbraw/zinc/15/07/99/1279150799.db2.gz ZPEPSLDNBNZXKR-ZFWWWQNUSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975234 1279176395 /nfs/dbraw/zinc/17/63/95/1279176395.db2.gz ARAQKAZMEOBKFW-IUODEOHRSA-N 2 1 372.477 0.851 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987081 1279183777 /nfs/dbraw/zinc/18/37/77/1279183777.db2.gz FOUITEIKNQQUBB-ABAIWWIYSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989483 1279190509 /nfs/dbraw/zinc/19/05/09/1279190509.db2.gz NPKQCMZBKWQTMW-QWHCGFSZSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991423 1279194647 /nfs/dbraw/zinc/19/46/47/1279194647.db2.gz OSEWUGLJGZKDGH-XJKSGUPXSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002009 1279217519 /nfs/dbraw/zinc/21/75/19/1279217519.db2.gz MFRPGXLMCGKHQW-SEEARECTSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010407 1279236481 /nfs/dbraw/zinc/23/64/81/1279236481.db2.gz MJILLUXBBKSEJP-BLLLJJGKSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011024 1279237439 /nfs/dbraw/zinc/23/74/39/1279237439.db2.gz AYXTVZDUTRMFNL-CJNGLKHVSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011415 1279237865 /nfs/dbraw/zinc/23/78/65/1279237865.db2.gz JZUQEYZTUJLJFU-SWLSCSKDSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(NCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026028 1279259864 /nfs/dbraw/zinc/25/98/64/1279259864.db2.gz ANTXXHAKYMTKTK-MRXNPFEDSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031903 1279269256 /nfs/dbraw/zinc/26/92/56/1279269256.db2.gz MQEQBUWQJHYHTA-AAEUAGOBSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038165 1279274703 /nfs/dbraw/zinc/27/47/03/1279274703.db2.gz FTJHFZKVLAEBNJ-BNOWGMLFSA-N 2 1 370.461 0.393 20 0 FCADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603259938 1287342481 /nfs/dbraw/zinc/34/24/81/1287342481.db2.gz QWCMIDQUYRIFCG-YJBOKZPZSA-N 2 1 357.462 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581339578 1279722162 /nfs/dbraw/zinc/72/21/62/1279722162.db2.gz HZPSHHINUKBJGY-CYBMUJFWSA-N 2 1 368.445 0.914 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581563128 1280139023 /nfs/dbraw/zinc/13/90/23/1280139023.db2.gz JIFUGDGMBSJPTK-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581563835 1280140768 /nfs/dbraw/zinc/14/07/68/1280140768.db2.gz SGWJGTKVBFOQQJ-CYBMUJFWSA-N 2 1 368.445 0.914 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581563815 1280141434 /nfs/dbraw/zinc/14/14/34/1280141434.db2.gz RSHJOVFJFDNJQK-IHWYPQMZSA-N 2 1 366.429 0.834 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581565300 1280144683 /nfs/dbraw/zinc/14/46/83/1280144683.db2.gz IOYLBFCDLGSIED-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP C[C@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001718563730 1287520511 /nfs/dbraw/zinc/52/05/11/1287520511.db2.gz HCSUDNFVRKJBSX-UMVBOHGHSA-N 2 1 365.478 0.653 20 0 FCADMP C[C@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001718563730 1287520517 /nfs/dbraw/zinc/52/05/17/1287520517.db2.gz HCSUDNFVRKJBSX-UMVBOHGHSA-N 2 1 365.478 0.653 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001584958890 1282185006 /nfs/dbraw/zinc/18/50/06/1282185006.db2.gz IJESUZXWXZAPHH-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001636005387 1282452391 /nfs/dbraw/zinc/45/23/91/1282452391.db2.gz BVKIEVHOTROOEI-UHFFFAOYSA-N 2 1 368.522 0.851 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198607 1287587599 /nfs/dbraw/zinc/58/75/99/1287587599.db2.gz OOSQNLPPEIXMOS-QWHCGFSZSA-N 2 1 360.466 0.721 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716274 1282960732 /nfs/dbraw/zinc/96/07/32/1282960732.db2.gz GACKIRYTDXIHAY-CWDCEQMOSA-N 2 1 370.461 0.641 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716684 1282961095 /nfs/dbraw/zinc/96/10/95/1282961095.db2.gz KRSZYNVXEIFZBN-HNNXBMFYSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@@]1(O)CC[NH+](Cc2cc(C[N@@H+]3CC[C@@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150472 1283246510 /nfs/dbraw/zinc/24/65/10/1283246510.db2.gz QYABYZLYHIAKNJ-RTBURBONSA-N 2 1 372.473 0.780 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH3+] ZINC001590192627 1283297667 /nfs/dbraw/zinc/29/76/67/1283297667.db2.gz VITMZUYAFKHUMV-CLWVCHIJSA-N 2 1 360.462 0.912 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682494848 1283623907 /nfs/dbraw/zinc/62/39/07/1283623907.db2.gz DSDZEEYGHSKGRW-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1O ZINC001682576507 1283692650 /nfs/dbraw/zinc/69/26/50/1283692650.db2.gz DIBALBMLGKIQOG-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1O ZINC001682576507 1283692663 /nfs/dbraw/zinc/69/26/63/1283692663.db2.gz DIBALBMLGKIQOG-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001590736739 1283775352 /nfs/dbraw/zinc/77/53/52/1283775352.db2.gz YFKDNBNLGIBWDT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001590736739 1283775363 /nfs/dbraw/zinc/77/53/63/1283775363.db2.gz YFKDNBNLGIBWDT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1OC ZINC001683325789 1283944174 /nfs/dbraw/zinc/94/41/74/1283944174.db2.gz VYTOBORPPAWOHS-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1OC ZINC001683325789 1283944183 /nfs/dbraw/zinc/94/41/83/1283944183.db2.gz VYTOBORPPAWOHS-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1OC ZINC001683325789 1283944189 /nfs/dbraw/zinc/94/41/89/1283944189.db2.gz VYTOBORPPAWOHS-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001591025474 1284085457 /nfs/dbraw/zinc/08/54/57/1284085457.db2.gz UWNLDDBPWNBENE-PEYYIBSZSA-N 2 1 355.446 0.510 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071168 1284131859 /nfs/dbraw/zinc/13/18/59/1284131859.db2.gz PJUYGAOCMBBRBK-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071168 1284131865 /nfs/dbraw/zinc/13/18/65/1284131865.db2.gz PJUYGAOCMBBRBK-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071168 1284131871 /nfs/dbraw/zinc/13/18/71/1284131871.db2.gz PJUYGAOCMBBRBK-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174900 1284262404 /nfs/dbraw/zinc/26/24/04/1284262404.db2.gz CJYLKKBARWODNN-ZIAGYGMSSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175957 1284264973 /nfs/dbraw/zinc/26/49/73/1284264973.db2.gz ANOAGADLFRFCSH-LBPRGKRZSA-N 2 1 363.491 0.866 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175690 1284266656 /nfs/dbraw/zinc/26/66/56/1284266656.db2.gz RNUJGYVZSFFZID-ARWYELJZSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187347 1284298545 /nfs/dbraw/zinc/29/85/45/1284298545.db2.gz QJWBOJLVCLNTIU-RXYHWBRQSA-N 2 1 355.446 0.723 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001591723315 1284857136 /nfs/dbraw/zinc/85/71/36/1284857136.db2.gz ZMZWLSZNFUXOPH-AWEZNQCLSA-N 2 1 374.493 0.667 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001591723315 1284857149 /nfs/dbraw/zinc/85/71/49/1284857149.db2.gz ZMZWLSZNFUXOPH-AWEZNQCLSA-N 2 1 374.493 0.667 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591750056 1284879479 /nfs/dbraw/zinc/87/94/79/1284879479.db2.gz RSEHPSUMIWRGLW-DJSGYFEHSA-N 2 1 355.446 0.415 20 0 FCADMP Cc1cc(NCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049191 1285094170 /nfs/dbraw/zinc/09/41/70/1285094170.db2.gz KGMQOLSDXWJLAC-BBRMVZONSA-N 2 1 370.461 0.537 20 0 FCADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1-c1nn[nH]n1 ZINC001592154857 1285162560 /nfs/dbraw/zinc/16/25/60/1285162560.db2.gz MBQJGDUAGFYOEQ-HNNXBMFYSA-N 2 1 357.462 0.995 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592301103 1285222944 /nfs/dbraw/zinc/22/29/44/1285222944.db2.gz WCAAJBGUFJQCRA-UHFFFAOYSA-N 2 1 372.408 0.759 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001592301098 1285223938 /nfs/dbraw/zinc/22/39/38/1285223938.db2.gz VJWBHYNVFCPMJD-UHFFFAOYSA-N 2 1 368.445 0.962 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592419194 1285344024 /nfs/dbraw/zinc/34/40/24/1285344024.db2.gz NYPFHOLGQBJRDL-NSCUHMNNSA-N 2 1 366.429 0.834 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995036 1285878094 /nfs/dbraw/zinc/87/80/94/1285878094.db2.gz OJRUXUKWPAIXPL-VYDXJSESSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995036 1285878101 /nfs/dbraw/zinc/87/81/01/1285878101.db2.gz OJRUXUKWPAIXPL-VYDXJSESSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994816 1285878520 /nfs/dbraw/zinc/87/85/20/1285878520.db2.gz KQMLCPRMWGWXLM-GOEBONIOSA-N 2 1 367.457 0.844 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038326 1285922026 /nfs/dbraw/zinc/92/20/26/1285922026.db2.gz RYXJVJLESTZUPS-WBVHZDCISA-N 2 1 369.473 0.947 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243995 1287936836 /nfs/dbraw/zinc/93/68/36/1287936836.db2.gz PEAKESLSZACPNT-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001605431371 1287960223 /nfs/dbraw/zinc/96/02/23/1287960223.db2.gz MDQCOZYXXZFHCR-JHJVBQTASA-N 2 1 356.434 0.037 20 0 FCADMP Cc1cc(NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726675 1288063682 /nfs/dbraw/zinc/06/36/82/1288063682.db2.gz JYNRTFQZBQMTLK-CJNGLKHVSA-N 2 1 370.461 0.250 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001731802789 1288566397 /nfs/dbraw/zinc/56/63/97/1288566397.db2.gz BRUNGMPTZPCZTP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001731802789 1288566401 /nfs/dbraw/zinc/56/64/01/1288566401.db2.gz BRUNGMPTZPCZTP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001731802789 1288566408 /nfs/dbraw/zinc/56/64/08/1288566408.db2.gz BRUNGMPTZPCZTP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732085676 1288573699 /nfs/dbraw/zinc/57/36/99/1288573699.db2.gz VNQQZZWSIZJHKM-BFYDXBDKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732085676 1288573704 /nfs/dbraw/zinc/57/37/04/1288573704.db2.gz VNQQZZWSIZJHKM-BFYDXBDKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001732085676 1288573710 /nfs/dbraw/zinc/57/37/10/1288573710.db2.gz VNQQZZWSIZJHKM-BFYDXBDKSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1cccnc1 ZINC001732342918 1288581875 /nfs/dbraw/zinc/58/18/75/1288581875.db2.gz LCTHJVYYFBYYME-ZMSDIMECSA-N 2 1 361.490 0.380 20 0 FCADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172955 1288965351 /nfs/dbraw/zinc/96/53/51/1288965351.db2.gz HJRZODDPMLVJQZ-RHSMWYFYSA-N 2 1 360.462 0.991 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001735894574 1289004080 /nfs/dbraw/zinc/00/40/80/1289004080.db2.gz RXECTIMQPORFMH-BFYDXBDKSA-N 2 1 356.511 0.256 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001736232332 1289211040 /nfs/dbraw/zinc/21/10/40/1289211040.db2.gz WZDTUYUAJBRCAS-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](CCC[C@H](C)O)CC2)CC[N@H+]1C ZINC001691933778 1289345178 /nfs/dbraw/zinc/34/51/78/1289345178.db2.gz QZOUAXOIQILFDW-GBESFXJTSA-N 2 1 368.566 0.954 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](OCC)C1 ZINC001692031404 1289371778 /nfs/dbraw/zinc/37/17/78/1289371778.db2.gz AYHGELSPVMVGEF-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692031431 1289372398 /nfs/dbraw/zinc/37/23/98/1289372398.db2.gz CNIBVJQIUOXVRP-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001692061831 1289380311 /nfs/dbraw/zinc/38/03/11/1289380311.db2.gz MDJIEWNQWKXGJP-NRSFXHEJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001692061831 1289380328 /nfs/dbraw/zinc/38/03/28/1289380328.db2.gz MDJIEWNQWKXGJP-NRSFXHEJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001692061831 1289380332 /nfs/dbraw/zinc/38/03/32/1289380332.db2.gz MDJIEWNQWKXGJP-NRSFXHEJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001692188413 1289423892 /nfs/dbraw/zinc/42/38/92/1289423892.db2.gz JQICFLXMGYJYJZ-HIFRSBDPSA-N 2 1 367.494 0.415 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001692188413 1289423895 /nfs/dbraw/zinc/42/38/95/1289423895.db2.gz JQICFLXMGYJYJZ-HIFRSBDPSA-N 2 1 367.494 0.415 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1CC(=O)NC(N)=O ZINC001692188413 1289423896 /nfs/dbraw/zinc/42/38/96/1289423896.db2.gz JQICFLXMGYJYJZ-HIFRSBDPSA-N 2 1 367.494 0.415 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1CC(=O)NC(N)=O ZINC001692188413 1289423899 /nfs/dbraw/zinc/42/38/99/1289423899.db2.gz JQICFLXMGYJYJZ-HIFRSBDPSA-N 2 1 367.494 0.415 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001692277653 1289441556 /nfs/dbraw/zinc/44/15/56/1289441556.db2.gz NAEIJRVBZDEYSA-CVEARBPZSA-N 2 1 364.490 0.258 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368121 1289454759 /nfs/dbraw/zinc/45/47/59/1289454759.db2.gz INVQPWSTEIEJGW-VBQJREDUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368121 1289454763 /nfs/dbraw/zinc/45/47/63/1289454763.db2.gz INVQPWSTEIEJGW-VBQJREDUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368121 1289454773 /nfs/dbraw/zinc/45/47/73/1289454773.db2.gz INVQPWSTEIEJGW-VBQJREDUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368121 1289454777 /nfs/dbraw/zinc/45/47/77/1289454777.db2.gz INVQPWSTEIEJGW-VBQJREDUSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](CC)CC ZINC001692391030 1289455998 /nfs/dbraw/zinc/45/59/98/1289455998.db2.gz OWSIRYDJESHIIA-IKGGRYGDSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](CC)CC ZINC001692391030 1289456001 /nfs/dbraw/zinc/45/60/01/1289456001.db2.gz OWSIRYDJESHIIA-IKGGRYGDSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CCCC2)CC[N@H+]1C ZINC001698798330 1289536265 /nfs/dbraw/zinc/53/62/65/1289536265.db2.gz NOKZPMYHJORIIO-HUUCEWRRSA-N 2 1 364.490 0.494 20 0 FCADMP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001698998619 1289542275 /nfs/dbraw/zinc/54/22/75/1289542275.db2.gz FXUQUYQWCWFIMY-OTWHNJEPSA-N 2 1 363.502 0.729 20 0 FCADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001698998619 1289542282 /nfs/dbraw/zinc/54/22/82/1289542282.db2.gz FXUQUYQWCWFIMY-OTWHNJEPSA-N 2 1 363.502 0.729 20 0 FCADMP COC[C@@H](O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001698998619 1289542287 /nfs/dbraw/zinc/54/22/87/1289542287.db2.gz FXUQUYQWCWFIMY-OTWHNJEPSA-N 2 1 363.502 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001737429315 1289547801 /nfs/dbraw/zinc/54/78/01/1289547801.db2.gz AQENOORUYUMFEL-WCXIOVBPSA-N 2 1 362.518 0.870 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309249 1289550010 /nfs/dbraw/zinc/55/00/10/1289550010.db2.gz XJOQUNAVFOCFAS-DRDDEIGGSA-N 2 1 370.497 0.872 20 0 FCADMP Cc1csc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001699651150 1289559977 /nfs/dbraw/zinc/55/99/77/1289559977.db2.gz LWZOPCYYFSGNRC-CHWSQXEVSA-N 2 1 365.503 0.969 20 0 FCADMP Cc1csc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001699651150 1289559981 /nfs/dbraw/zinc/55/99/81/1289559981.db2.gz LWZOPCYYFSGNRC-CHWSQXEVSA-N 2 1 365.503 0.969 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCc3nnn(C(C)(C)C)n3)CC2)CC[N@H+]1C ZINC001699652129 1289560543 /nfs/dbraw/zinc/56/05/43/1289560543.db2.gz WFGQZNROSSGUFF-ZIAGYGMSSA-N 2 1 363.510 0.549 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001739579002 1290187376 /nfs/dbraw/zinc/18/73/76/1290187376.db2.gz PZYHTMUWBAIXKP-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001739719627 1290391557 /nfs/dbraw/zinc/39/15/57/1290391557.db2.gz LQJLTAWCBIADIW-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+](CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC001628338317 1290527160 /nfs/dbraw/zinc/52/71/60/1290527160.db2.gz AAXPNLPSTKDJON-UHFFFAOYSA-N 2 1 353.511 0.476 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC001628338317 1290527165 /nfs/dbraw/zinc/52/71/65/1290527165.db2.gz AAXPNLPSTKDJON-UHFFFAOYSA-N 2 1 353.511 0.476 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001757229778 1290747562 /nfs/dbraw/zinc/74/75/62/1290747562.db2.gz TVEGGRRJKKKATC-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001757357828 1290759053 /nfs/dbraw/zinc/75/90/53/1290759053.db2.gz MUSZFXSFYICLTN-UONOGXRCSA-N 2 1 365.478 0.703 20 0 FCADMP NC(=O)Cn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC001661425642 1291694247 /nfs/dbraw/zinc/69/42/47/1291694247.db2.gz YVFYVBUFKBALEH-UHFFFAOYSA-N 2 1 358.446 0.528 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001673434028 1292108302 /nfs/dbraw/zinc/10/83/02/1292108302.db2.gz BJEACHJBTAZKRX-RBSFLKMASA-N 2 1 369.510 0.341 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001673434028 1292108305 /nfs/dbraw/zinc/10/83/05/1292108305.db2.gz BJEACHJBTAZKRX-RBSFLKMASA-N 2 1 369.510 0.341 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001673434028 1292108309 /nfs/dbraw/zinc/10/83/09/1292108309.db2.gz BJEACHJBTAZKRX-RBSFLKMASA-N 2 1 369.510 0.341 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601276 1292310792 /nfs/dbraw/zinc/31/07/92/1292310792.db2.gz KOVDAKJQWIMVBQ-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601276 1292310800 /nfs/dbraw/zinc/31/08/00/1292310800.db2.gz KOVDAKJQWIMVBQ-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601276 1292310808 /nfs/dbraw/zinc/31/08/08/1292310808.db2.gz KOVDAKJQWIMVBQ-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001688566589 1294508946 /nfs/dbraw/zinc/50/89/46/1294508946.db2.gz TYLVULKJUULCMT-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001689036001 1294579904 /nfs/dbraw/zinc/57/99/04/1294579904.db2.gz MXSNRFFOIGEJLY-DLBZAZTESA-N 2 1 360.462 0.546 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001689086505 1294606661 /nfs/dbraw/zinc/60/66/61/1294606661.db2.gz SEILBJGBTUIQHB-ZACQAIPSSA-N 2 1 368.522 0.353 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001689086505 1294606672 /nfs/dbraw/zinc/60/66/72/1294606672.db2.gz SEILBJGBTUIQHB-ZACQAIPSSA-N 2 1 368.522 0.353 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001689086505 1294606686 /nfs/dbraw/zinc/60/66/86/1294606686.db2.gz SEILBJGBTUIQHB-ZACQAIPSSA-N 2 1 368.522 0.353 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001689222362 1294678041 /nfs/dbraw/zinc/67/80/41/1294678041.db2.gz LPYBCCWVANPHBL-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001689222362 1294678046 /nfs/dbraw/zinc/67/80/46/1294678046.db2.gz LPYBCCWVANPHBL-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001689222362 1294678051 /nfs/dbraw/zinc/67/80/51/1294678051.db2.gz LPYBCCWVANPHBL-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238820 1294698716 /nfs/dbraw/zinc/69/87/16/1294698716.db2.gz MMFBIGJKIHAGMQ-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238820 1294698729 /nfs/dbraw/zinc/69/87/29/1294698729.db2.gz MMFBIGJKIHAGMQ-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238820 1294698742 /nfs/dbraw/zinc/69/87/42/1294698742.db2.gz MMFBIGJKIHAGMQ-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238820 1294698750 /nfs/dbraw/zinc/69/87/50/1294698750.db2.gz MMFBIGJKIHAGMQ-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001689291809 1294716350 /nfs/dbraw/zinc/71/63/50/1294716350.db2.gz IDUZWRKYPRLRPL-BMFZPTHFSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001689291809 1294716353 /nfs/dbraw/zinc/71/63/53/1294716353.db2.gz IDUZWRKYPRLRPL-BMFZPTHFSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001689603329 1294809672 /nfs/dbraw/zinc/80/96/72/1294809672.db2.gz UAGMATXNUXYNAB-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCCc1ccsc1 ZINC001690576591 1294872095 /nfs/dbraw/zinc/87/20/95/1294872095.db2.gz DSWHSJJECDMTIM-IIAWOOMASA-N 2 1 366.531 0.841 20 0 FCADMP CCNC(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nn1 ZINC001164680524 719645539 /nfs/dbraw/zinc/64/55/39/719645539.db2.gz UIOBZFIADGDUDV-UHFFFAOYSA-N 2 1 357.462 0.898 20 0 FCADMP CCNC(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nn1 ZINC001164680524 719645545 /nfs/dbraw/zinc/64/55/45/719645545.db2.gz UIOBZFIADGDUDV-UHFFFAOYSA-N 2 1 357.462 0.898 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C[NH3+])ncn1)CCC2 ZINC001164814705 720217210 /nfs/dbraw/zinc/21/72/10/720217210.db2.gz VQTQNYOTBLXQAR-UHFFFAOYSA-N 2 1 357.462 0.743 20 0 FCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164742301 720641435 /nfs/dbraw/zinc/64/14/35/720641435.db2.gz MOVQJLKBECFHLX-LSDHHAIUSA-N 2 1 353.430 0.254 20 0 FCADMP Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164743435 720807663 /nfs/dbraw/zinc/80/76/63/720807663.db2.gz FZDKHBLXXABCSY-HOTGVXAUSA-N 2 1 367.457 0.604 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@H]2C1 ZINC001164852059 720857482 /nfs/dbraw/zinc/85/74/82/720857482.db2.gz CAEVCRWTYKYULF-DZGCQCFKSA-N 2 1 362.430 0.586 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@H]2C1 ZINC001164852059 720857484 /nfs/dbraw/zinc/85/74/84/720857484.db2.gz CAEVCRWTYKYULF-DZGCQCFKSA-N 2 1 362.430 0.586 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164923179 721848378 /nfs/dbraw/zinc/84/83/78/721848378.db2.gz SPLPXLANMNVOFV-HUUCEWRRSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164923179 721848379 /nfs/dbraw/zinc/84/83/79/721848379.db2.gz SPLPXLANMNVOFV-HUUCEWRRSA-N 2 1 350.898 0.990 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924824 837565192 /nfs/dbraw/zinc/56/51/92/837565192.db2.gz HOUYRRLHJPMSEP-PMPSAXMXSA-N 2 1 352.458 0.852 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924824 837565195 /nfs/dbraw/zinc/56/51/95/837565195.db2.gz HOUYRRLHJPMSEP-PMPSAXMXSA-N 2 1 352.458 0.852 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924824 837565200 /nfs/dbraw/zinc/56/52/00/837565200.db2.gz HOUYRRLHJPMSEP-PMPSAXMXSA-N 2 1 352.458 0.852 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924824 837565205 /nfs/dbraw/zinc/56/52/05/837565205.db2.gz HOUYRRLHJPMSEP-PMPSAXMXSA-N 2 1 352.458 0.852 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942167 837570573 /nfs/dbraw/zinc/57/05/73/837570573.db2.gz PQMPVQFYTDGFCF-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942167 837570581 /nfs/dbraw/zinc/57/05/81/837570581.db2.gz PQMPVQFYTDGFCF-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942167 837570586 /nfs/dbraw/zinc/57/05/86/837570586.db2.gz PQMPVQFYTDGFCF-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069942167 837570594 /nfs/dbraw/zinc/57/05/94/837570594.db2.gz PQMPVQFYTDGFCF-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006372 837594403 /nfs/dbraw/zinc/59/44/03/837594403.db2.gz SJWNXYWCWZQLMC-OWCLPIDISA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006372 837594411 /nfs/dbraw/zinc/59/44/11/837594411.db2.gz SJWNXYWCWZQLMC-OWCLPIDISA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006372 837594413 /nfs/dbraw/zinc/59/44/13/837594413.db2.gz SJWNXYWCWZQLMC-OWCLPIDISA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006372 837594417 /nfs/dbraw/zinc/59/44/17/837594417.db2.gz SJWNXYWCWZQLMC-OWCLPIDISA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070207694 837634234 /nfs/dbraw/zinc/63/42/34/837634234.db2.gz JRRUXVABURRVEC-OAGGEKHMSA-N 2 1 352.458 0.567 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275523 837642491 /nfs/dbraw/zinc/64/24/91/837642491.db2.gz QKJLMNRXNQCYPG-KEYYUXOJSA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070381454 837651225 /nfs/dbraw/zinc/65/12/25/837651225.db2.gz AWWHLCLRGZSBMR-GMBSWORKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382734 837651397 /nfs/dbraw/zinc/65/13/97/837651397.db2.gz OQZARRIQECYNNU-JZXOWHBKSA-N 2 1 350.507 0.822 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913656 837693752 /nfs/dbraw/zinc/69/37/52/837693752.db2.gz SIISYMNHJVCUFG-ZNMIVQPWSA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913656 837693760 /nfs/dbraw/zinc/69/37/60/837693760.db2.gz SIISYMNHJVCUFG-ZNMIVQPWSA-N 2 1 350.463 0.597 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917461 837697705 /nfs/dbraw/zinc/69/77/05/837697705.db2.gz AAMADMDHCSGZFC-XHSDSOJGSA-N 2 1 350.463 0.454 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917461 837697709 /nfs/dbraw/zinc/69/77/09/837697709.db2.gz AAMADMDHCSGZFC-XHSDSOJGSA-N 2 1 350.463 0.454 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924788 837701904 /nfs/dbraw/zinc/70/19/04/837701904.db2.gz SODDGYIIPGALSU-OAGGEKHMSA-N 2 1 350.463 0.597 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926615 837703802 /nfs/dbraw/zinc/70/38/02/837703802.db2.gz KUPIIKCQXJXBKP-KLHDSHLOSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926615 837703812 /nfs/dbraw/zinc/70/38/12/837703812.db2.gz KUPIIKCQXJXBKP-KLHDSHLOSA-N 2 1 354.495 0.153 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099306932 844015471 /nfs/dbraw/zinc/01/54/71/844015471.db2.gz ZWVHCWRNCYOTID-QJPTWQEYSA-N 2 1 364.412 0.571 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099306932 844015478 /nfs/dbraw/zinc/01/54/78/844015478.db2.gz ZWVHCWRNCYOTID-QJPTWQEYSA-N 2 1 364.412 0.571 20 0 FCADMP C[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001099316784 844018779 /nfs/dbraw/zinc/01/87/79/844018779.db2.gz FJGBAMTYNHUTFI-JHJVBQTASA-N 2 1 364.412 0.715 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001099341600 844034029 /nfs/dbraw/zinc/03/40/29/844034029.db2.gz KLDYMUKKKLAYKF-MGPQQGTHSA-N 2 1 359.396 0.814 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099345618 844037021 /nfs/dbraw/zinc/03/70/21/844037021.db2.gz KPJRMPFVYDOKMY-VXGBXAGGSA-N 2 1 350.385 0.327 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001099346666 844037539 /nfs/dbraw/zinc/03/75/39/844037539.db2.gz GPSLICCHWYGYIF-BZPMIXESSA-N 2 1 364.412 0.571 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243490 844117176 /nfs/dbraw/zinc/11/71/76/844117176.db2.gz HKQQOUFQCUUZER-KONPQCLYSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243490 844117184 /nfs/dbraw/zinc/11/71/84/844117184.db2.gz HKQQOUFQCUUZER-KONPQCLYSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243490 844117187 /nfs/dbraw/zinc/11/71/87/844117187.db2.gz HKQQOUFQCUUZER-KONPQCLYSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243490 844117194 /nfs/dbraw/zinc/11/71/94/844117194.db2.gz HKQQOUFQCUUZER-KONPQCLYSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187770 836066785 /nfs/dbraw/zinc/06/67/85/836066785.db2.gz YPPKBXRXFMZENY-RDJZCZTQSA-N 2 1 352.504 0.637 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285290 844134403 /nfs/dbraw/zinc/13/44/03/844134403.db2.gz WWCSXOOYXXMRGN-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285290 844134404 /nfs/dbraw/zinc/13/44/04/844134404.db2.gz WWCSXOOYXXMRGN-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285290 844134405 /nfs/dbraw/zinc/13/44/05/844134405.db2.gz WWCSXOOYXXMRGN-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284013 844134429 /nfs/dbraw/zinc/13/44/29/844134429.db2.gz IIFAAAMPBVDDLY-BEFAXECRSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101284013 844134432 /nfs/dbraw/zinc/13/44/32/844134432.db2.gz IIFAAAMPBVDDLY-BEFAXECRSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101284013 844134433 /nfs/dbraw/zinc/13/44/33/844134433.db2.gz IIFAAAMPBVDDLY-BEFAXECRSA-N 2 1 352.523 0.975 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351385 844155306 /nfs/dbraw/zinc/15/53/06/844155306.db2.gz FVINOUVAOKOFKK-QAPCUYQASA-N 2 1 366.531 0.950 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101352328 844156153 /nfs/dbraw/zinc/15/61/53/844156153.db2.gz AKGLMBDVSZRCAX-INMHGKMJSA-N 2 1 359.536 0.399 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353054 844156719 /nfs/dbraw/zinc/15/67/19/844156719.db2.gz QNPNZBOZZAXGJZ-FCEWJHQRSA-N 2 1 352.523 0.975 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368962 844162957 /nfs/dbraw/zinc/16/29/57/844162957.db2.gz WLKGCZNXMIPHNE-KHYOSLBOSA-N 2 1 352.523 0.879 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368962 844162962 /nfs/dbraw/zinc/16/29/62/844162962.db2.gz WLKGCZNXMIPHNE-KHYOSLBOSA-N 2 1 352.523 0.879 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368962 844162967 /nfs/dbraw/zinc/16/29/67/844162967.db2.gz WLKGCZNXMIPHNE-KHYOSLBOSA-N 2 1 352.523 0.879 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363857 844160896 /nfs/dbraw/zinc/16/08/96/844160896.db2.gz CLJWKFOHOMNLBL-SCTDSRPQSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363857 844160902 /nfs/dbraw/zinc/16/09/02/844160902.db2.gz CLJWKFOHOMNLBL-SCTDSRPQSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363857 844160905 /nfs/dbraw/zinc/16/09/05/844160905.db2.gz CLJWKFOHOMNLBL-SCTDSRPQSA-N 2 1 353.507 0.914 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000751040678 836460973 /nfs/dbraw/zinc/46/09/73/836460973.db2.gz VXWJPAQTCKIJSQ-HNNXBMFYSA-N 2 1 355.552 0.487 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038150 836461520 /nfs/dbraw/zinc/46/15/20/836461520.db2.gz IYZHPGRUAHPHTC-JKSUJKDBSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038150 836461527 /nfs/dbraw/zinc/46/15/27/836461527.db2.gz IYZHPGRUAHPHTC-JKSUJKDBSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038150 836461531 /nfs/dbraw/zinc/46/15/31/836461531.db2.gz IYZHPGRUAHPHTC-JKSUJKDBSA-N 2 1 369.579 0.878 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382340 844167048 /nfs/dbraw/zinc/16/70/48/844167048.db2.gz CAZLQJCSTKEUKJ-LMMKCTJWSA-N 2 1 353.507 0.506 20 0 FCADMP C[C@]12CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001101393064 844172168 /nfs/dbraw/zinc/17/21/68/844172168.db2.gz UBDKRAMLMWOTRS-MJGOQNOKSA-N 2 1 353.507 0.652 20 0 FCADMP C[C@]12CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001101393064 844172174 /nfs/dbraw/zinc/17/21/74/844172174.db2.gz UBDKRAMLMWOTRS-MJGOQNOKSA-N 2 1 353.507 0.652 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000823684065 836517139 /nfs/dbraw/zinc/51/71/39/836517139.db2.gz MRUMTLJQSQWXQP-QGZVFWFLSA-N 2 1 370.515 0.686 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]2C1 ZINC000827838701 836534168 /nfs/dbraw/zinc/53/41/68/836534168.db2.gz DBOBRURJWHBEPY-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]2C1 ZINC000827838701 836534170 /nfs/dbraw/zinc/53/41/70/836534170.db2.gz DBOBRURJWHBEPY-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]2C1 ZINC000827838701 836534173 /nfs/dbraw/zinc/53/41/73/836534173.db2.gz DBOBRURJWHBEPY-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]2C1 ZINC000827838701 836534175 /nfs/dbraw/zinc/53/41/75/836534175.db2.gz DBOBRURJWHBEPY-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418507 844180659 /nfs/dbraw/zinc/18/06/59/844180659.db2.gz VNPAPDWGSYZLGU-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418507 844180662 /nfs/dbraw/zinc/18/06/62/844180662.db2.gz VNPAPDWGSYZLGU-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418507 844180667 /nfs/dbraw/zinc/18/06/67/844180667.db2.gz VNPAPDWGSYZLGU-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435569 844185929 /nfs/dbraw/zinc/18/59/29/844185929.db2.gz XDIQJIDIUHGGPR-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429991 844184018 /nfs/dbraw/zinc/18/40/18/844184018.db2.gz JPLLESBDDCXRML-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429991 844184023 /nfs/dbraw/zinc/18/40/23/844184023.db2.gz JPLLESBDDCXRML-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429991 844184028 /nfs/dbraw/zinc/18/40/28/844184028.db2.gz JPLLESBDDCXRML-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431190 844184095 /nfs/dbraw/zinc/18/40/95/844184095.db2.gz CIRIZKOMVIUKOG-AEFFLSMTSA-N 2 1 351.491 0.526 20 0 FCADMP Cc1nonc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431183 844184348 /nfs/dbraw/zinc/18/43/48/844184348.db2.gz CAOPGRNZBBUPMG-PBHICJAKSA-N 2 1 351.451 0.237 20 0 FCADMP Cc1nonc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431183 844184349 /nfs/dbraw/zinc/18/43/49/844184349.db2.gz CAOPGRNZBBUPMG-PBHICJAKSA-N 2 1 351.451 0.237 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101438769 844187159 /nfs/dbraw/zinc/18/71/59/844187159.db2.gz SESBYEYCBKBTBF-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101438769 844187166 /nfs/dbraw/zinc/18/71/66/844187166.db2.gz SESBYEYCBKBTBF-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101438769 844187172 /nfs/dbraw/zinc/18/71/72/844187172.db2.gz SESBYEYCBKBTBF-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621210 836701604 /nfs/dbraw/zinc/70/16/04/836701604.db2.gz PURSJYOWGKBAOD-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621210 836701610 /nfs/dbraw/zinc/70/16/10/836701610.db2.gz PURSJYOWGKBAOD-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621210 836701615 /nfs/dbraw/zinc/70/16/15/836701615.db2.gz PURSJYOWGKBAOD-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621410 836701959 /nfs/dbraw/zinc/70/19/59/836701959.db2.gz VINBGUZDPZADDF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461537 844193673 /nfs/dbraw/zinc/19/36/73/844193673.db2.gz HPCILPRHPICPKE-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)O1 ZINC001062339425 836732618 /nfs/dbraw/zinc/73/26/18/836732618.db2.gz CWQZSMIBHBGIOF-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)O1 ZINC001062339425 836732627 /nfs/dbraw/zinc/73/26/27/836732627.db2.gz CWQZSMIBHBGIOF-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+](C)C3CCC3)CCC2)CC[N@H+]1C ZINC001063224495 836759203 /nfs/dbraw/zinc/75/92/03/836759203.db2.gz PNEDFVVNVSBWCH-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@H+](C)C3CCC3)CCC2)CC[NH+]1C ZINC001063224495 836759213 /nfs/dbraw/zinc/75/92/13/836759213.db2.gz PNEDFVVNVSBWCH-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@@H+](C)C3CCC3)CCC2)CC[NH+]1C ZINC001063224495 836759221 /nfs/dbraw/zinc/75/92/21/836759221.db2.gz PNEDFVVNVSBWCH-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063855970 836786290 /nfs/dbraw/zinc/78/62/90/836786290.db2.gz GCUKRBLMMLDYLE-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063855970 836786301 /nfs/dbraw/zinc/78/63/01/836786301.db2.gz GCUKRBLMMLDYLE-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063855970 836786315 /nfs/dbraw/zinc/78/63/15/836786315.db2.gz GCUKRBLMMLDYLE-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063855970 836786325 /nfs/dbraw/zinc/78/63/25/836786325.db2.gz GCUKRBLMMLDYLE-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876388 837920476 /nfs/dbraw/zinc/92/04/76/837920476.db2.gz PAZZMPWUPHCHLK-YESZJQIVSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876388 837920483 /nfs/dbraw/zinc/92/04/83/837920483.db2.gz PAZZMPWUPHCHLK-YESZJQIVSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876388 837920493 /nfs/dbraw/zinc/92/04/93/837920493.db2.gz PAZZMPWUPHCHLK-YESZJQIVSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876388 837920503 /nfs/dbraw/zinc/92/05/03/837920503.db2.gz PAZZMPWUPHCHLK-YESZJQIVSA-N 2 1 350.507 0.585 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887539 837922747 /nfs/dbraw/zinc/92/27/47/837922747.db2.gz SIELQWAZGRIVME-HLLBOEOZSA-N 2 1 369.531 0.438 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887539 837922757 /nfs/dbraw/zinc/92/27/57/837922757.db2.gz SIELQWAZGRIVME-HLLBOEOZSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887539 837922766 /nfs/dbraw/zinc/92/27/66/837922766.db2.gz SIELQWAZGRIVME-HLLBOEOZSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887539 837922775 /nfs/dbraw/zinc/92/27/75/837922775.db2.gz SIELQWAZGRIVME-HLLBOEOZSA-N 2 1 369.531 0.438 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCc3ccns3)C[C@H]21 ZINC001076365656 837991584 /nfs/dbraw/zinc/99/15/84/837991584.db2.gz HXPNGIFVSSBYFP-DOTOQJQBSA-N 2 1 364.515 0.941 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21 ZINC001076365656 837991595 /nfs/dbraw/zinc/99/15/95/837991595.db2.gz HXPNGIFVSSBYFP-DOTOQJQBSA-N 2 1 364.515 0.941 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076398914 837995152 /nfs/dbraw/zinc/99/51/52/837995152.db2.gz MFGQYKCLVOMEJW-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076398914 837995161 /nfs/dbraw/zinc/99/51/61/837995161.db2.gz MFGQYKCLVOMEJW-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594566 838026726 /nfs/dbraw/zinc/02/67/26/838026726.db2.gz PYQQTTIRBMHPAN-CGTJXYLNSA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594566 838026735 /nfs/dbraw/zinc/02/67/35/838026735.db2.gz PYQQTTIRBMHPAN-CGTJXYLNSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594566 838026742 /nfs/dbraw/zinc/02/67/42/838026742.db2.gz PYQQTTIRBMHPAN-CGTJXYLNSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594566 838026751 /nfs/dbraw/zinc/02/67/51/838026751.db2.gz PYQQTTIRBMHPAN-CGTJXYLNSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001076987088 838196500 /nfs/dbraw/zinc/19/65/00/838196500.db2.gz BXWSHCBMRCHNML-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001076987088 838196504 /nfs/dbraw/zinc/19/65/04/838196504.db2.gz BXWSHCBMRCHNML-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001076987088 838196508 /nfs/dbraw/zinc/19/65/08/838196508.db2.gz BXWSHCBMRCHNML-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002937 838207947 /nfs/dbraw/zinc/20/79/47/838207947.db2.gz MNLVBHSEVHOXCS-KZNAEPCWSA-N 2 1 351.491 0.306 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001077015382 838216178 /nfs/dbraw/zinc/21/61/78/838216178.db2.gz RUKKDACANIOJNE-TVFCKZIOSA-N 2 1 351.491 0.305 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077027794 838225896 /nfs/dbraw/zinc/22/58/96/838225896.db2.gz PRHHVTTZYFDLQW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077027794 838225905 /nfs/dbraw/zinc/22/59/05/838225905.db2.gz PRHHVTTZYFDLQW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077027794 838225916 /nfs/dbraw/zinc/22/59/16/838225916.db2.gz PRHHVTTZYFDLQW-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077129225 838754868 /nfs/dbraw/zinc/75/48/68/838754868.db2.gz ZPRXWSIMNPIUAZ-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077129225 838754873 /nfs/dbraw/zinc/75/48/73/838754873.db2.gz ZPRXWSIMNPIUAZ-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001077129225 838754881 /nfs/dbraw/zinc/75/48/81/838754881.db2.gz ZPRXWSIMNPIUAZ-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077131532 838757300 /nfs/dbraw/zinc/75/73/00/838757300.db2.gz FDRDJHDDTRPZBU-CGTJXYLNSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077131532 838757308 /nfs/dbraw/zinc/75/73/08/838757308.db2.gz FDRDJHDDTRPZBU-CGTJXYLNSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077131532 838757313 /nfs/dbraw/zinc/75/73/13/838757313.db2.gz FDRDJHDDTRPZBU-CGTJXYLNSA-N 2 1 353.507 0.980 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219281 838823145 /nfs/dbraw/zinc/82/31/45/838823145.db2.gz OISKGEKAEUXAOV-IAGOWNOFSA-N 2 1 351.491 0.450 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102015196 844372817 /nfs/dbraw/zinc/37/28/17/844372817.db2.gz ADPLBBPQHGYDCU-OAGGEKHMSA-N 2 1 356.486 0.583 20 0 FCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299579 838887362 /nfs/dbraw/zinc/88/73/62/838887362.db2.gz IKHHADUUWYASBH-ARFHVFGLSA-N 2 1 351.491 0.591 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299579 838887372 /nfs/dbraw/zinc/88/73/72/838887372.db2.gz IKHHADUUWYASBH-ARFHVFGLSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299464 838887425 /nfs/dbraw/zinc/88/74/25/838887425.db2.gz CORBAFRWSOJHOH-BRWVUGGUSA-N 2 1 351.491 0.735 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417943 838958949 /nfs/dbraw/zinc/95/89/49/838958949.db2.gz FRRZIYCDFKVLOJ-DSZOFWSKSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417943 838958955 /nfs/dbraw/zinc/95/89/55/838958955.db2.gz FRRZIYCDFKVLOJ-DSZOFWSKSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077417943 838958960 /nfs/dbraw/zinc/95/89/60/838958960.db2.gz FRRZIYCDFKVLOJ-DSZOFWSKSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077417943 838958966 /nfs/dbraw/zinc/95/89/66/838958966.db2.gz FRRZIYCDFKVLOJ-DSZOFWSKSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440925 838968319 /nfs/dbraw/zinc/96/83/19/838968319.db2.gz XYHAGHHJVXKEQG-KURKYZTESA-N 2 1 351.491 0.449 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046029 844394603 /nfs/dbraw/zinc/39/46/03/844394603.db2.gz IQKNCAYJOPVMEI-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048615 844396156 /nfs/dbraw/zinc/39/61/56/844396156.db2.gz ILZUTKUSXFVXNQ-XYPHTWIQSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051626 844396320 /nfs/dbraw/zinc/39/63/20/844396320.db2.gz BFBCAGNOSGLYRA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051626 844396329 /nfs/dbraw/zinc/39/63/29/844396329.db2.gz BFBCAGNOSGLYRA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051626 844396333 /nfs/dbraw/zinc/39/63/33/844396333.db2.gz BFBCAGNOSGLYRA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077765181 839143154 /nfs/dbraw/zinc/14/31/54/839143154.db2.gz ANJCLZMKSRAYQH-BZUAXINKSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077765181 839143163 /nfs/dbraw/zinc/14/31/63/839143163.db2.gz ANJCLZMKSRAYQH-BZUAXINKSA-N 2 1 350.463 0.594 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102104405 844416480 /nfs/dbraw/zinc/41/64/80/844416480.db2.gz UJTMRPCZHLQLJC-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102104405 844416488 /nfs/dbraw/zinc/41/64/88/844416488.db2.gz UJTMRPCZHLQLJC-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102104405 844416493 /nfs/dbraw/zinc/41/64/93/844416493.db2.gz UJTMRPCZHLQLJC-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102104405 844416502 /nfs/dbraw/zinc/41/65/02/844416502.db2.gz UJTMRPCZHLQLJC-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC001078405037 839458322 /nfs/dbraw/zinc/45/83/22/839458322.db2.gz CFUCLIMVKKJYHR-UMVBOHGHSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102191320 844439971 /nfs/dbraw/zinc/43/99/71/844439971.db2.gz UTJPGMNZWHCMTH-IAGOWNOFSA-N 2 1 355.523 0.944 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700960 839576412 /nfs/dbraw/zinc/57/64/12/839576412.db2.gz QUYGPYCMXRTWMC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700960 839576421 /nfs/dbraw/zinc/57/64/21/839576421.db2.gz QUYGPYCMXRTWMC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700960 839576431 /nfs/dbraw/zinc/57/64/31/839576431.db2.gz QUYGPYCMXRTWMC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700960 839576445 /nfs/dbraw/zinc/57/64/45/839576445.db2.gz QUYGPYCMXRTWMC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079944311 839628774 /nfs/dbraw/zinc/62/87/74/839628774.db2.gz XYJFNFJUICUWOX-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951487 839630407 /nfs/dbraw/zinc/63/04/07/839630407.db2.gz PWXNSMQSKKZEIR-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951487 839630413 /nfs/dbraw/zinc/63/04/13/839630413.db2.gz PWXNSMQSKKZEIR-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951487 839630420 /nfs/dbraw/zinc/63/04/20/839630420.db2.gz PWXNSMQSKKZEIR-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951487 839630427 /nfs/dbraw/zinc/63/04/27/839630427.db2.gz PWXNSMQSKKZEIR-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001080015278 839645915 /nfs/dbraw/zinc/64/59/15/839645915.db2.gz GNRXEYOWWIURCN-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001080015278 839645923 /nfs/dbraw/zinc/64/59/23/839645923.db2.gz GNRXEYOWWIURCN-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001080015278 839645925 /nfs/dbraw/zinc/64/59/25/839645925.db2.gz GNRXEYOWWIURCN-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001080015278 839645928 /nfs/dbraw/zinc/64/59/28/839645928.db2.gz GNRXEYOWWIURCN-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286914 844458522 /nfs/dbraw/zinc/45/85/22/844458522.db2.gz CVWPQZBCXRRANN-HUUCEWRRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254692 839692129 /nfs/dbraw/zinc/69/21/29/839692129.db2.gz BVLZPDBHTSSNGQ-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254692 839692137 /nfs/dbraw/zinc/69/21/37/839692137.db2.gz BVLZPDBHTSSNGQ-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320560 844466605 /nfs/dbraw/zinc/46/66/05/844466605.db2.gz IJKAQXDLKNCJKX-BZUAXINKSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787861 839799241 /nfs/dbraw/zinc/79/92/41/839799241.db2.gz VVQQGTIDPRXKJA-BZUAXINKSA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787861 839799247 /nfs/dbraw/zinc/79/92/47/839799247.db2.gz VVQQGTIDPRXKJA-BZUAXINKSA-N 2 1 369.531 0.344 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080936168 839836684 /nfs/dbraw/zinc/83/66/84/839836684.db2.gz LPCMFIVJLFAGBG-BPLDGKMQSA-N 2 1 352.504 0.606 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080936168 839836687 /nfs/dbraw/zinc/83/66/87/839836687.db2.gz LPCMFIVJLFAGBG-BPLDGKMQSA-N 2 1 352.504 0.606 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080936168 839836694 /nfs/dbraw/zinc/83/66/94/839836694.db2.gz LPCMFIVJLFAGBG-BPLDGKMQSA-N 2 1 352.504 0.606 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102368318 844476278 /nfs/dbraw/zinc/47/62/78/844476278.db2.gz PNMPWGQKEFJVRS-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001102368318 844476282 /nfs/dbraw/zinc/47/62/82/844476282.db2.gz PNMPWGQKEFJVRS-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001102368318 844476286 /nfs/dbraw/zinc/47/62/86/844476286.db2.gz PNMPWGQKEFJVRS-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369921 844478241 /nfs/dbraw/zinc/47/82/41/844478241.db2.gz KRAUGXFRTGAMCT-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369921 844478246 /nfs/dbraw/zinc/47/82/46/844478246.db2.gz KRAUGXFRTGAMCT-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001102369921 844478251 /nfs/dbraw/zinc/47/82/51/844478251.db2.gz KRAUGXFRTGAMCT-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081673086 839994218 /nfs/dbraw/zinc/99/42/18/839994218.db2.gz XBXIDDDQGBOSJC-KZNAEPCWSA-N 2 1 351.491 0.570 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894933 840091954 /nfs/dbraw/zinc/09/19/54/840091954.db2.gz KDBFGOXRYOMZFO-BRWVUGGUSA-N 2 1 351.491 0.999 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102463746 844507256 /nfs/dbraw/zinc/50/72/56/844507256.db2.gz BUEZBDJYDJILDW-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102463746 844507261 /nfs/dbraw/zinc/50/72/61/844507261.db2.gz BUEZBDJYDJILDW-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468369 844510024 /nfs/dbraw/zinc/51/00/24/844510024.db2.gz FIJFAFOEBLFFGC-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468369 844510029 /nfs/dbraw/zinc/51/00/29/844510029.db2.gz FIJFAFOEBLFFGC-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095652 840183297 /nfs/dbraw/zinc/18/32/97/840183297.db2.gz BGGMUBSWQYPDMB-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102475532 844516102 /nfs/dbraw/zinc/51/61/02/844516102.db2.gz RYPYRACUWDBUMA-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271820 840269717 /nfs/dbraw/zinc/26/97/17/840269717.db2.gz VXKSLGCWXIUBQX-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271820 840269729 /nfs/dbraw/zinc/26/97/29/840269729.db2.gz VXKSLGCWXIUBQX-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511324 844542190 /nfs/dbraw/zinc/54/21/90/844542190.db2.gz RVLBYBRXYRWKSB-HUUCEWRRSA-N 2 1 352.479 0.999 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082595384 840481719 /nfs/dbraw/zinc/48/17/19/840481719.db2.gz JYWJCIZKFFNUMM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513650 844544738 /nfs/dbraw/zinc/54/47/38/844544738.db2.gz VQSXBMFAPBCGSW-RBSFLKMASA-N 2 1 352.483 0.138 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513650 844544747 /nfs/dbraw/zinc/54/47/47/844544747.db2.gz VQSXBMFAPBCGSW-RBSFLKMASA-N 2 1 352.483 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082705670 840531889 /nfs/dbraw/zinc/53/18/89/840531889.db2.gz SNTSJJBGNMGFIE-FXUDXRNXSA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082743281 840543276 /nfs/dbraw/zinc/54/32/76/840543276.db2.gz RKHDEVHWOMXOKA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082741310 840543388 /nfs/dbraw/zinc/54/33/88/840543388.db2.gz WUGLYQHBVDTJAD-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520772 844550010 /nfs/dbraw/zinc/55/00/10/844550010.db2.gz ZSPZMAQTZFQNFC-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082920189 840602016 /nfs/dbraw/zinc/60/20/16/840602016.db2.gz ULJPBVWJHGVUDH-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082920190 840602025 /nfs/dbraw/zinc/60/20/25/840602025.db2.gz ULJPBVWJHGVUDH-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082943625 840617163 /nfs/dbraw/zinc/61/71/63/840617163.db2.gz SVUSGZPNBQHQCO-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083148950 840753620 /nfs/dbraw/zinc/75/36/20/840753620.db2.gz PIYLSXGIRVHCFC-HNCZQISISA-N 2 1 353.438 0.121 20 0 FCADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCF)C[C@@H]21 ZINC001083148950 840753630 /nfs/dbraw/zinc/75/36/30/840753630.db2.gz PIYLSXGIRVHCFC-HNCZQISISA-N 2 1 353.438 0.121 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCF)C[C@@H]21 ZINC001083148950 840753640 /nfs/dbraw/zinc/75/36/40/840753640.db2.gz PIYLSXGIRVHCFC-HNCZQISISA-N 2 1 353.438 0.121 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578014 844571703 /nfs/dbraw/zinc/57/17/03/844571703.db2.gz HPPHEJAENVGBFT-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578014 844571711 /nfs/dbraw/zinc/57/17/11/844571711.db2.gz HPPHEJAENVGBFT-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578014 844571719 /nfs/dbraw/zinc/57/17/19/844571719.db2.gz HPPHEJAENVGBFT-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578285 844572573 /nfs/dbraw/zinc/57/25/73/844572573.db2.gz ULCGSAARLWCIAW-OWCLPIDISA-N 2 1 353.511 0.330 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578285 844572578 /nfs/dbraw/zinc/57/25/78/844572578.db2.gz ULCGSAARLWCIAW-OWCLPIDISA-N 2 1 353.511 0.330 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578285 844572583 /nfs/dbraw/zinc/57/25/83/844572583.db2.gz ULCGSAARLWCIAW-OWCLPIDISA-N 2 1 353.511 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578281 844572757 /nfs/dbraw/zinc/57/27/57/844572757.db2.gz UEVCFLIJKOUMGN-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578281 844572758 /nfs/dbraw/zinc/57/27/58/844572758.db2.gz UEVCFLIJKOUMGN-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578281 844572761 /nfs/dbraw/zinc/57/27/61/844572761.db2.gz UEVCFLIJKOUMGN-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579827 844575201 /nfs/dbraw/zinc/57/52/01/844575201.db2.gz RLNXNHSPVFXTBC-NVXWUHKLSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582967 844576811 /nfs/dbraw/zinc/57/68/11/844576811.db2.gz HFNUBONSWJFPGU-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274893 840857416 /nfs/dbraw/zinc/85/74/16/840857416.db2.gz FAWMUYJXQAVYSB-OWCLPIDISA-N 2 1 364.515 0.857 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274893 840857427 /nfs/dbraw/zinc/85/74/27/840857427.db2.gz FAWMUYJXQAVYSB-OWCLPIDISA-N 2 1 364.515 0.857 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274893 840857432 /nfs/dbraw/zinc/85/74/32/840857432.db2.gz FAWMUYJXQAVYSB-OWCLPIDISA-N 2 1 364.515 0.857 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560165 841170563 /nfs/dbraw/zinc/17/05/63/841170563.db2.gz UDVCIDQVXAXCPI-ZACQAIPSSA-N 2 1 351.491 0.450 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083594172 841212527 /nfs/dbraw/zinc/21/25/27/841212527.db2.gz PHCHTEPWDKYVSL-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594172 841212538 /nfs/dbraw/zinc/21/25/38/841212538.db2.gz PHCHTEPWDKYVSL-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594172 841212547 /nfs/dbraw/zinc/21/25/47/841212547.db2.gz PHCHTEPWDKYVSL-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602180 841222769 /nfs/dbraw/zinc/22/27/69/841222769.db2.gz IKHHADUUWYASBH-XHSDSOJGSA-N 2 1 351.491 0.591 20 0 FCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602180 841222778 /nfs/dbraw/zinc/22/27/78/841222778.db2.gz IKHHADUUWYASBH-XHSDSOJGSA-N 2 1 351.491 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083645223 841273628 /nfs/dbraw/zinc/27/36/28/841273628.db2.gz QIJIZQGADVBGLW-SJORKVTESA-N 2 1 350.463 0.560 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083645223 841273639 /nfs/dbraw/zinc/27/36/39/841273639.db2.gz QIJIZQGADVBGLW-SJORKVTESA-N 2 1 350.463 0.560 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831324 841474567 /nfs/dbraw/zinc/47/45/67/841474567.db2.gz GXRABASQGGPDIR-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833428 841478667 /nfs/dbraw/zinc/47/86/67/841478667.db2.gz ASGOYLCVJQSUPL-CVEARBPZSA-N 2 1 366.531 0.887 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3COC(C)(C)O3)C2)C1=O ZINC001275813108 861206977 /nfs/dbraw/zinc/20/69/77/861206977.db2.gz NXRUBHWDKNOQIB-KBXCAEBGSA-N 2 1 353.463 0.541 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)CC1 ZINC001084352118 841774500 /nfs/dbraw/zinc/77/45/00/841774500.db2.gz RSZMXKFZAYPETL-TVFCKZIOSA-N 2 1 351.491 0.258 20 0 FCADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084405242 841788287 /nfs/dbraw/zinc/78/82/87/841788287.db2.gz DQJZZUVLWSZODM-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084405242 841788290 /nfs/dbraw/zinc/78/82/90/841788290.db2.gz DQJZZUVLWSZODM-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084405242 841788296 /nfs/dbraw/zinc/78/82/96/841788296.db2.gz DQJZZUVLWSZODM-BPQIPLTHSA-N 2 1 351.491 0.545 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21)[NH+](C)C ZINC001084427590 841793557 /nfs/dbraw/zinc/79/35/57/841793557.db2.gz NGOVLFMRQKBQLX-NUJGCVRESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21)[NH+](C)C ZINC001084427590 841793564 /nfs/dbraw/zinc/79/35/64/841793564.db2.gz NGOVLFMRQKBQLX-NUJGCVRESA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084449018 841797680 /nfs/dbraw/zinc/79/76/80/841797680.db2.gz OOPNATXOGBQLJT-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275878660 861239515 /nfs/dbraw/zinc/23/95/15/861239515.db2.gz MJZYLPOGGZZUJZ-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275878660 861239523 /nfs/dbraw/zinc/23/95/23/861239523.db2.gz MJZYLPOGGZZUJZ-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001275878660 861239531 /nfs/dbraw/zinc/23/95/31/861239531.db2.gz MJZYLPOGGZZUJZ-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001275878660 861239540 /nfs/dbraw/zinc/23/95/40/861239540.db2.gz MJZYLPOGGZZUJZ-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877623 861239604 /nfs/dbraw/zinc/23/96/04/861239604.db2.gz CKURMUMVEHWVRJ-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877623 861239613 /nfs/dbraw/zinc/23/96/13/861239613.db2.gz CKURMUMVEHWVRJ-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877623 861239622 /nfs/dbraw/zinc/23/96/22/861239622.db2.gz CKURMUMVEHWVRJ-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877372 861239887 /nfs/dbraw/zinc/23/98/87/861239887.db2.gz AZSLYKDCILGPKX-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877369 861240619 /nfs/dbraw/zinc/24/06/19/861240619.db2.gz AZSLYKDCILGPKX-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877616 861241389 /nfs/dbraw/zinc/24/13/89/861241389.db2.gz CKURMUMVEHWVRJ-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877616 861241400 /nfs/dbraw/zinc/24/14/00/861241400.db2.gz CKURMUMVEHWVRJ-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877616 861241411 /nfs/dbraw/zinc/24/14/11/861241411.db2.gz CKURMUMVEHWVRJ-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879213 861243047 /nfs/dbraw/zinc/24/30/47/861243047.db2.gz OUKZEMLSFMIVDC-WMZOPIPTSA-N 2 1 371.547 0.687 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880108 861245996 /nfs/dbraw/zinc/24/59/96/861245996.db2.gz UCALFPXVDUJWKF-DNVCBOLYSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880108 861246009 /nfs/dbraw/zinc/24/60/09/861246009.db2.gz UCALFPXVDUJWKF-DNVCBOLYSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880108 861246019 /nfs/dbraw/zinc/24/60/19/861246019.db2.gz UCALFPXVDUJWKF-DNVCBOLYSA-N 2 1 350.507 0.777 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001275893164 861251512 /nfs/dbraw/zinc/25/15/12/861251512.db2.gz SQISZNWHSXOCRO-QZTJIDSGSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830650 841924264 /nfs/dbraw/zinc/92/42/64/841924264.db2.gz BZHONUPJSZXAOP-IXDOHACOSA-N 2 1 369.531 0.296 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830650 841924273 /nfs/dbraw/zinc/92/42/73/841924273.db2.gz BZHONUPJSZXAOP-IXDOHACOSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830650 841924280 /nfs/dbraw/zinc/92/42/80/841924280.db2.gz BZHONUPJSZXAOP-IXDOHACOSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830650 841924286 /nfs/dbraw/zinc/92/42/86/841924286.db2.gz BZHONUPJSZXAOP-IXDOHACOSA-N 2 1 369.531 0.296 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910987 841952148 /nfs/dbraw/zinc/95/21/48/841952148.db2.gz KUDMZDSNSQTZDY-NJAFHUGGSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910987 841952157 /nfs/dbraw/zinc/95/21/57/841952157.db2.gz KUDMZDSNSQTZDY-NJAFHUGGSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910987 841952168 /nfs/dbraw/zinc/95/21/68/841952168.db2.gz KUDMZDSNSQTZDY-NJAFHUGGSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOC4CCC4)[C@H]3C2)C1 ZINC001084910987 841952176 /nfs/dbraw/zinc/95/21/76/841952176.db2.gz KUDMZDSNSQTZDY-NJAFHUGGSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911614 841952675 /nfs/dbraw/zinc/95/26/75/841952675.db2.gz OTWZQTKENQAQQS-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911614 841952677 /nfs/dbraw/zinc/95/26/77/841952677.db2.gz OTWZQTKENQAQQS-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911614 841952681 /nfs/dbraw/zinc/95/26/81/841952681.db2.gz OTWZQTKENQAQQS-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911614 841952686 /nfs/dbraw/zinc/95/26/86/841952686.db2.gz OTWZQTKENQAQQS-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962408 841971650 /nfs/dbraw/zinc/97/16/50/841971650.db2.gz NGUAWOKZEQKIOK-IKGGRYGDSA-N 2 1 371.547 0.828 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962408 841971657 /nfs/dbraw/zinc/97/16/57/841971657.db2.gz NGUAWOKZEQKIOK-IKGGRYGDSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962408 841971665 /nfs/dbraw/zinc/97/16/65/841971665.db2.gz NGUAWOKZEQKIOK-IKGGRYGDSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084962408 841971674 /nfs/dbraw/zinc/97/16/74/841971674.db2.gz NGUAWOKZEQKIOK-IKGGRYGDSA-N 2 1 371.547 0.828 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001084970663 841974206 /nfs/dbraw/zinc/97/42/06/841974206.db2.gz OTAGTYXUNMMECV-OAGGEKHMSA-N 2 1 351.495 0.275 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076110 842007667 /nfs/dbraw/zinc/00/76/67/842007667.db2.gz KQKOEEUBIMXFCV-CABCVRRESA-N 2 1 355.504 0.050 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076110 842007672 /nfs/dbraw/zinc/00/76/72/842007672.db2.gz KQKOEEUBIMXFCV-CABCVRRESA-N 2 1 355.504 0.050 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101576 842018487 /nfs/dbraw/zinc/01/84/87/842018487.db2.gz RWAUGDLYOFXEMU-RYRKJORJSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101576 842018497 /nfs/dbraw/zinc/01/84/97/842018497.db2.gz RWAUGDLYOFXEMU-RYRKJORJSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085152461 842028596 /nfs/dbraw/zinc/02/85/96/842028596.db2.gz FWQIJVYPUNRLBY-BRWVUGGUSA-N 2 1 371.547 0.922 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085421992 842097612 /nfs/dbraw/zinc/09/76/12/842097612.db2.gz DKXWVVSQDQLUHH-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2CCCC2=O)CC[N@@H+]1C ZINC001085606734 842109183 /nfs/dbraw/zinc/10/91/83/842109183.db2.gz WCUUPMUCMTXPQI-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2CCCC2=O)CC[N@H+]1C ZINC001085606734 842109189 /nfs/dbraw/zinc/10/91/89/842109189.db2.gz WCUUPMUCMTXPQI-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001085606734 842109192 /nfs/dbraw/zinc/10/91/92/842109192.db2.gz WCUUPMUCMTXPQI-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001085606734 842109198 /nfs/dbraw/zinc/10/91/98/842109198.db2.gz WCUUPMUCMTXPQI-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cncc(F)c3)C2)O1 ZINC001086120789 842121932 /nfs/dbraw/zinc/12/19/32/842121932.db2.gz NVKKRRQZDCTPJC-UTJXIGIESA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cncc(F)c3)C2)O1 ZINC001086120789 842121940 /nfs/dbraw/zinc/12/19/40/842121940.db2.gz NVKKRRQZDCTPJC-UTJXIGIESA-N 2 1 350.438 0.924 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400827 842131075 /nfs/dbraw/zinc/13/10/75/842131075.db2.gz YTHKGJPTCGMECU-QHSBEEBCSA-N 2 1 368.503 0.855 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400827 842131077 /nfs/dbraw/zinc/13/10/77/842131077.db2.gz YTHKGJPTCGMECU-QHSBEEBCSA-N 2 1 368.503 0.855 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664755 842145560 /nfs/dbraw/zinc/14/55/60/842145560.db2.gz CKFJYDPMOCHGOE-SQWLQELKSA-N 2 1 350.467 0.003 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664755 842145574 /nfs/dbraw/zinc/14/55/74/842145574.db2.gz CKFJYDPMOCHGOE-SQWLQELKSA-N 2 1 350.467 0.003 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001086875561 842186853 /nfs/dbraw/zinc/18/68/53/842186853.db2.gz XIBXGVLOWSZVCA-RRFJBIMHSA-N 2 1 352.458 0.574 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001086874904 842186928 /nfs/dbraw/zinc/18/69/28/842186928.db2.gz XRHYYTURKPXWCK-MELADBBJSA-N 2 1 351.451 0.542 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086874904 842186935 /nfs/dbraw/zinc/18/69/35/842186935.db2.gz XRHYYTURKPXWCK-MELADBBJSA-N 2 1 351.451 0.542 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087034376 842230824 /nfs/dbraw/zinc/23/08/24/842230824.db2.gz CATYVXYNALMRCX-RBSFLKMASA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087034376 842230830 /nfs/dbraw/zinc/23/08/30/842230830.db2.gz CATYVXYNALMRCX-RBSFLKMASA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083477 842276606 /nfs/dbraw/zinc/27/66/06/842276606.db2.gz HGJVITYJKDOKSZ-RBSFLKMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087096405 842286806 /nfs/dbraw/zinc/28/68/06/842286806.db2.gz LLFLWIYVPUVVNT-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087096405 842286820 /nfs/dbraw/zinc/28/68/20/842286820.db2.gz LLFLWIYVPUVVNT-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(=O)NC ZINC001087724092 842414174 /nfs/dbraw/zinc/41/41/74/842414174.db2.gz VPXIIBHMEXRWPG-IYOUNJFTSA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(=O)NC ZINC001087724092 842414182 /nfs/dbraw/zinc/41/41/82/842414182.db2.gz VPXIIBHMEXRWPG-IYOUNJFTSA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)NC ZINC001087724092 842414190 /nfs/dbraw/zinc/41/41/90/842414190.db2.gz VPXIIBHMEXRWPG-IYOUNJFTSA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)NC ZINC001087724092 842414195 /nfs/dbraw/zinc/41/41/95/842414195.db2.gz VPXIIBHMEXRWPG-IYOUNJFTSA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCCN1CCCC1=O ZINC001087828770 842442789 /nfs/dbraw/zinc/44/27/89/842442789.db2.gz VDYXADOQLPSSSY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001087828770 842442793 /nfs/dbraw/zinc/44/27/93/842442793.db2.gz VDYXADOQLPSSSY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001087828770 842442796 /nfs/dbraw/zinc/44/27/96/842442796.db2.gz VDYXADOQLPSSSY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994965 842494697 /nfs/dbraw/zinc/49/46/97/842494697.db2.gz MAMXVTWOYNBBPK-OAGGEKHMSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994965 842494700 /nfs/dbraw/zinc/49/47/00/842494700.db2.gz MAMXVTWOYNBBPK-OAGGEKHMSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994965 842494705 /nfs/dbraw/zinc/49/47/05/842494705.db2.gz MAMXVTWOYNBBPK-OAGGEKHMSA-N 2 1 350.507 0.728 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129621 842538522 /nfs/dbraw/zinc/53/85/22/842538522.db2.gz XIRVRFKWQFRAEI-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129621 842538525 /nfs/dbraw/zinc/53/85/25/842538525.db2.gz XIRVRFKWQFRAEI-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129621 842538529 /nfs/dbraw/zinc/53/85/29/842538529.db2.gz XIRVRFKWQFRAEI-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620743 842632383 /nfs/dbraw/zinc/63/23/83/842632383.db2.gz ZJWCBROXXGXTMS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620743 842632389 /nfs/dbraw/zinc/63/23/89/842632389.db2.gz ZJWCBROXXGXTMS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620743 842632393 /nfs/dbraw/zinc/63/23/93/842632393.db2.gz ZJWCBROXXGXTMS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620743 842632399 /nfs/dbraw/zinc/63/23/99/842632399.db2.gz ZJWCBROXXGXTMS-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCN1CCCC1=O ZINC001088817841 842687388 /nfs/dbraw/zinc/68/73/88/842687388.db2.gz KEZOKSKSEZMKFM-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001088817841 842687393 /nfs/dbraw/zinc/68/73/93/842687393.db2.gz KEZOKSKSEZMKFM-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001088817841 842687398 /nfs/dbraw/zinc/68/73/98/842687398.db2.gz KEZOKSKSEZMKFM-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088857979 842697596 /nfs/dbraw/zinc/69/75/96/842697596.db2.gz LJRCLOGACUDGQK-UXLLHSPISA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088857979 842697609 /nfs/dbraw/zinc/69/76/09/842697609.db2.gz LJRCLOGACUDGQK-UXLLHSPISA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088857979 842697617 /nfs/dbraw/zinc/69/76/17/842697617.db2.gz LJRCLOGACUDGQK-UXLLHSPISA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088857979 842697623 /nfs/dbraw/zinc/69/76/23/842697623.db2.gz LJRCLOGACUDGQK-UXLLHSPISA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001088980808 842733756 /nfs/dbraw/zinc/73/37/56/842733756.db2.gz SMBHINRJGITWCM-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001088980808 842733764 /nfs/dbraw/zinc/73/37/64/842733764.db2.gz SMBHINRJGITWCM-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001088980808 842733770 /nfs/dbraw/zinc/73/37/70/842733770.db2.gz SMBHINRJGITWCM-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001088980808 842733774 /nfs/dbraw/zinc/73/37/74/842733774.db2.gz SMBHINRJGITWCM-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCCCC1 ZINC001089037502 842749888 /nfs/dbraw/zinc/74/98/88/842749888.db2.gz HGZFDVMFJVMSQA-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCCCC1 ZINC001089037502 842749893 /nfs/dbraw/zinc/74/98/93/842749893.db2.gz HGZFDVMFJVMSQA-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCCCC1 ZINC001089037502 842749902 /nfs/dbraw/zinc/74/99/02/842749902.db2.gz HGZFDVMFJVMSQA-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCCCC1 ZINC001089037502 842749910 /nfs/dbraw/zinc/74/99/10/842749910.db2.gz HGZFDVMFJVMSQA-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565799 843042449 /nfs/dbraw/zinc/04/24/49/843042449.db2.gz ZQPIGTAIJXAMNH-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565799 843042460 /nfs/dbraw/zinc/04/24/60/843042460.db2.gz ZQPIGTAIJXAMNH-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565799 843042471 /nfs/dbraw/zinc/04/24/71/843042471.db2.gz ZQPIGTAIJXAMNH-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565799 843042484 /nfs/dbraw/zinc/04/24/84/843042484.db2.gz ZQPIGTAIJXAMNH-LMMKCTJWSA-N 2 1 351.491 0.524 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667573 843065438 /nfs/dbraw/zinc/06/54/38/843065438.db2.gz VLJUYUSFGYRWGU-RYRKJORJSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667573 843065440 /nfs/dbraw/zinc/06/54/40/843065440.db2.gz VLJUYUSFGYRWGU-RYRKJORJSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667573 843065456 /nfs/dbraw/zinc/06/54/56/843065456.db2.gz VLJUYUSFGYRWGU-RYRKJORJSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091667573 843065470 /nfs/dbraw/zinc/06/54/70/843065470.db2.gz VLJUYUSFGYRWGU-RYRKJORJSA-N 2 1 371.547 0.684 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001091974692 843131981 /nfs/dbraw/zinc/13/19/81/843131981.db2.gz PLNNFZUSZRTDNY-WBVHZDCISA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001091974692 843131986 /nfs/dbraw/zinc/13/19/86/843131986.db2.gz PLNNFZUSZRTDNY-WBVHZDCISA-N 2 1 357.520 0.153 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001092129053 843164907 /nfs/dbraw/zinc/16/49/07/843164907.db2.gz FEWHZHUZAHVTCW-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC1 ZINC001092129053 843164915 /nfs/dbraw/zinc/16/49/15/843164915.db2.gz FEWHZHUZAHVTCW-AEFFLSMTSA-N 2 1 371.547 0.543 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001092129776 843165017 /nfs/dbraw/zinc/16/50/17/843165017.db2.gz OUQOATCYEWUXPQ-APWZRJJASA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001092610560 843251682 /nfs/dbraw/zinc/25/16/82/843251682.db2.gz WZODSGYYOPUXBJ-OWCLPIDISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001092610560 843251689 /nfs/dbraw/zinc/25/16/89/843251689.db2.gz WZODSGYYOPUXBJ-OWCLPIDISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001092610560 843251699 /nfs/dbraw/zinc/25/16/99/843251699.db2.gz WZODSGYYOPUXBJ-OWCLPIDISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721237 843286502 /nfs/dbraw/zinc/28/65/02/843286502.db2.gz ISNNMFSHIYZUEV-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734714 843288003 /nfs/dbraw/zinc/28/80/03/843288003.db2.gz FJJQEGNAEDECAG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734714 843288017 /nfs/dbraw/zinc/28/80/17/843288017.db2.gz FJJQEGNAEDECAG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734714 843288034 /nfs/dbraw/zinc/28/80/34/843288034.db2.gz FJJQEGNAEDECAG-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092772727 843296528 /nfs/dbraw/zinc/29/65/28/843296528.db2.gz BPAFVUKFRXGVOS-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306877 861403471 /nfs/dbraw/zinc/40/34/71/861403471.db2.gz GGHVYLNKSCTVDK-PKOBYXMFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001092907590 843338779 /nfs/dbraw/zinc/33/87/79/843338779.db2.gz RLLNCWXAWLVFHB-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001092907590 843338788 /nfs/dbraw/zinc/33/87/88/843338788.db2.gz RLLNCWXAWLVFHB-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001092907590 843338798 /nfs/dbraw/zinc/33/87/98/843338798.db2.gz RLLNCWXAWLVFHB-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934744 843347570 /nfs/dbraw/zinc/34/75/70/843347570.db2.gz HNUMLFHUNRXHSV-NVXWUHKLSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937824 843348315 /nfs/dbraw/zinc/34/83/15/843348315.db2.gz XYNGNTOCNLMQOY-IIAWOOMASA-N 2 1 350.507 0.679 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001093481424 843442487 /nfs/dbraw/zinc/44/24/87/843442487.db2.gz WRRMEWIHTGJITM-JOCBIADPSA-N 2 1 350.463 0.150 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001093673782 843454742 /nfs/dbraw/zinc/45/47/42/843454742.db2.gz XYAYGLLZCKYDKH-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857759 843479386 /nfs/dbraw/zinc/47/93/86/843479386.db2.gz WMIKJLJZNRBSJK-BQGCOEIASA-N 2 1 350.463 0.886 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857759 843479394 /nfs/dbraw/zinc/47/93/94/843479394.db2.gz WMIKJLJZNRBSJK-BQGCOEIASA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857425 843479463 /nfs/dbraw/zinc/47/94/63/843479463.db2.gz FNKCJRLDWZRWHU-DTZQCDIJSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857425 843479472 /nfs/dbraw/zinc/47/94/72/843479472.db2.gz FNKCJRLDWZRWHU-DTZQCDIJSA-N 2 1 350.463 0.886 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001093857402 843480220 /nfs/dbraw/zinc/48/02/20/843480220.db2.gz CPCLQWHTEDPPJF-RGCMKSIDSA-N 2 1 353.492 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001093857402 843480228 /nfs/dbraw/zinc/48/02/28/843480228.db2.gz CPCLQWHTEDPPJF-RGCMKSIDSA-N 2 1 353.492 0.441 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)C1 ZINC001093992076 843501559 /nfs/dbraw/zinc/50/15/59/843501559.db2.gz KRKSLCSVUJXFDS-FMKPAKJESA-N 2 1 351.451 0.363 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)C1 ZINC001093992076 843501566 /nfs/dbraw/zinc/50/15/66/843501566.db2.gz KRKSLCSVUJXFDS-FMKPAKJESA-N 2 1 351.451 0.363 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001094114166 843518513 /nfs/dbraw/zinc/51/85/13/843518513.db2.gz WLYWDHWPHQYLOE-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)CC1 ZINC001096269086 843787911 /nfs/dbraw/zinc/78/79/11/843787911.db2.gz FPTLJHNJFGFYSB-IKGGRYGDSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)CC1 ZINC001096269086 843787915 /nfs/dbraw/zinc/78/79/15/843787915.db2.gz FPTLJHNJFGFYSB-IKGGRYGDSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975869 843892961 /nfs/dbraw/zinc/89/29/61/843892961.db2.gz HRIWTPFZJCKVNK-SVGFKBNWSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975869 843892971 /nfs/dbraw/zinc/89/29/71/843892971.db2.gz HRIWTPFZJCKVNK-SVGFKBNWSA-N 2 1 350.507 0.917 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101165 843962127 /nfs/dbraw/zinc/96/21/27/843962127.db2.gz LHBIQMJCLOZSSZ-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101165 843962130 /nfs/dbraw/zinc/96/21/30/843962130.db2.gz LHBIQMJCLOZSSZ-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262269 843995608 /nfs/dbraw/zinc/99/56/08/843995608.db2.gz GEKMELTZIUXWBP-FRRDWIJNSA-N 2 1 364.412 0.714 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001099296095 844010295 /nfs/dbraw/zinc/01/02/95/844010295.db2.gz IALTXSVKIYEVOE-NNYUYHANSA-N 2 1 350.385 0.181 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001099296095 844010304 /nfs/dbraw/zinc/01/03/04/844010304.db2.gz IALTXSVKIYEVOE-NNYUYHANSA-N 2 1 350.385 0.181 20 0 FCADMP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819617 844652226 /nfs/dbraw/zinc/65/22/26/844652226.db2.gz XOQNBYPIFUMZFB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819617 844652229 /nfs/dbraw/zinc/65/22/29/844652229.db2.gz XOQNBYPIFUMZFB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1conc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819617 844652232 /nfs/dbraw/zinc/65/22/32/844652232.db2.gz XOQNBYPIFUMZFB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1conc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819617 844652235 /nfs/dbraw/zinc/65/22/35/844652235.db2.gz XOQNBYPIFUMZFB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004899 844683450 /nfs/dbraw/zinc/68/34/50/844683450.db2.gz FBGFKGJHEGGUDH-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103004899 844683453 /nfs/dbraw/zinc/68/34/53/844683453.db2.gz FBGFKGJHEGGUDH-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103004899 844683458 /nfs/dbraw/zinc/68/34/58/844683458.db2.gz FBGFKGJHEGGUDH-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083969 844697578 /nfs/dbraw/zinc/69/75/78/844697578.db2.gz RBYHFKUTWJZVHH-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087936 844698701 /nfs/dbraw/zinc/69/87/01/844698701.db2.gz QDIGDUZVCZMUGN-QGPMSJSTSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103088190 844698742 /nfs/dbraw/zinc/69/87/42/844698742.db2.gz XBDXJFINVVBQRH-SIIHOXLZSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103142765 844706679 /nfs/dbraw/zinc/70/66/79/844706679.db2.gz BHQORNDXKOCDED-BRWVUGGUSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438307 844758449 /nfs/dbraw/zinc/75/84/49/844758449.db2.gz AKZHNVDLHXXLCM-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438307 844758460 /nfs/dbraw/zinc/75/84/60/844758460.db2.gz AKZHNVDLHXXLCM-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438307 844758472 /nfs/dbraw/zinc/75/84/72/844758472.db2.gz AKZHNVDLHXXLCM-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001103444711 844760750 /nfs/dbraw/zinc/76/07/50/844760750.db2.gz GSVONLMNAOICLR-OIISXLGYSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103550528 844778147 /nfs/dbraw/zinc/77/81/47/844778147.db2.gz VACWWLKYAMXSCF-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103550528 844778155 /nfs/dbraw/zinc/77/81/55/844778155.db2.gz VACWWLKYAMXSCF-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570910 844782553 /nfs/dbraw/zinc/78/25/53/844782553.db2.gz LHXCLXQTPPSNKT-ZACQAIPSSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722695 844807176 /nfs/dbraw/zinc/80/71/76/844807176.db2.gz ZVUKSQBHXDFICO-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723478 844807228 /nfs/dbraw/zinc/80/72/28/844807228.db2.gz LRFAOSFYCUJCQT-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751620 844814917 /nfs/dbraw/zinc/81/49/17/844814917.db2.gz JGTVDPPYKQLLIM-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103755340 844816695 /nfs/dbraw/zinc/81/66/95/844816695.db2.gz CTEQHUCRFGXZEX-HZPDHXFCSA-N 2 1 353.511 0.426 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103755340 844816696 /nfs/dbraw/zinc/81/66/96/844816696.db2.gz CTEQHUCRFGXZEX-HZPDHXFCSA-N 2 1 353.511 0.426 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103755340 844816699 /nfs/dbraw/zinc/81/66/99/844816699.db2.gz CTEQHUCRFGXZEX-HZPDHXFCSA-N 2 1 353.511 0.426 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3COC(C)(C)O3)C2)C1=O ZINC001276617966 861501957 /nfs/dbraw/zinc/50/19/57/861501957.db2.gz NXRUBHWDKNOQIB-RDTXWAMCSA-N 2 1 353.463 0.541 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001103999607 844851320 /nfs/dbraw/zinc/85/13/20/844851320.db2.gz FDMKDRHHQUGEIU-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC(F)F ZINC001104034154 844856063 /nfs/dbraw/zinc/85/60/63/844856063.db2.gz VBEGBMLEAKIQBU-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC(F)F ZINC001104034154 844856070 /nfs/dbraw/zinc/85/60/70/844856070.db2.gz VBEGBMLEAKIQBU-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276636695 861510366 /nfs/dbraw/zinc/51/03/66/861510366.db2.gz RBWXKYWPWCPEKB-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001104212577 844877379 /nfs/dbraw/zinc/87/73/79/844877379.db2.gz RRMIFKJBZDDDFK-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630387 861507838 /nfs/dbraw/zinc/50/78/38/861507838.db2.gz RHMLXDVIIYWSBB-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001104375477 844903786 /nfs/dbraw/zinc/90/37/86/844903786.db2.gz OPIWBFBENBYWKO-FRRDWIJNSA-N 2 1 351.451 0.298 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001105010184 844968700 /nfs/dbraw/zinc/96/87/00/844968700.db2.gz BDQHGNKWMSSHBD-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105668058 845014926 /nfs/dbraw/zinc/01/49/26/845014926.db2.gz WATKUGZHYUQQTB-RWQQGDIJSA-N 2 1 355.523 0.941 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105669055 845015880 /nfs/dbraw/zinc/01/58/80/845015880.db2.gz PBTJNKCYGGAGRU-ZAWLATJESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676300 845017796 /nfs/dbraw/zinc/01/77/96/845017796.db2.gz VLVZYCJZNVJIDF-ZAWLATJESA-N 2 1 355.523 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCc1ccns1 ZINC001105974331 845071477 /nfs/dbraw/zinc/07/14/77/845071477.db2.gz VATUVYXTXWAFEP-IIAWOOMASA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCc1ccns1 ZINC001105974331 845071486 /nfs/dbraw/zinc/07/14/86/845071486.db2.gz VATUVYXTXWAFEP-IIAWOOMASA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC(F)(F)F ZINC001105978543 845071937 /nfs/dbraw/zinc/07/19/37/845071937.db2.gz JGYCEPUDYKBWPF-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC(F)(F)F ZINC001105978543 845071942 /nfs/dbraw/zinc/07/19/42/845071942.db2.gz JGYCEPUDYKBWPF-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106111977 845102526 /nfs/dbraw/zinc/10/25/26/845102526.db2.gz UNSLGNHVGQOHQO-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC001276678090 861531942 /nfs/dbraw/zinc/53/19/42/861531942.db2.gz KATDDVMJANADEW-LJQANCHMSA-N 2 1 350.507 0.875 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106211021 845135181 /nfs/dbraw/zinc/13/51/81/845135181.db2.gz NHSAXGDIOIPJSC-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106248536 845143001 /nfs/dbraw/zinc/14/30/01/845143001.db2.gz SMHKFOYHAFMJTG-BRWVUGGUSA-N 2 1 352.523 0.737 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249464 845143134 /nfs/dbraw/zinc/14/31/34/845143134.db2.gz IJYOLCRZBGSBQU-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321544 845154149 /nfs/dbraw/zinc/15/41/49/845154149.db2.gz APDGYCGRJQQKDS-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106570851 845196855 /nfs/dbraw/zinc/19/68/55/845196855.db2.gz BOZPVNYPRXFCIE-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001106622659 845206747 /nfs/dbraw/zinc/20/67/47/845206747.db2.gz JSBMEMAWRZZSJW-CHWSQXEVSA-N 2 1 354.524 0.740 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840313 845265842 /nfs/dbraw/zinc/26/58/42/845265842.db2.gz HKNXQRSFZIVADC-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106910504 845284098 /nfs/dbraw/zinc/28/40/98/845284098.db2.gz ATVKKYFCQZHIRR-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106907757 845284172 /nfs/dbraw/zinc/28/41/72/845284172.db2.gz BHLGHIRWWQRWIG-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106980766 845298937 /nfs/dbraw/zinc/29/89/37/845298937.db2.gz ARUCLFVMZWOXDR-JHJVBQTASA-N 2 1 366.491 0.112 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106987008 845302259 /nfs/dbraw/zinc/30/22/59/845302259.db2.gz NRBGDFYVPYEOSR-SQWLQELKSA-N 2 1 370.519 0.556 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040991 845316810 /nfs/dbraw/zinc/31/68/10/845316810.db2.gz WJTLJGOQTYFUDG-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001107040645 845317070 /nfs/dbraw/zinc/31/70/70/845317070.db2.gz KTNCNUDOSJUBEL-RHSMWYFYSA-N 2 1 350.511 0.919 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001107042461 845318128 /nfs/dbraw/zinc/31/81/28/845318128.db2.gz NMMMHYCJBSRNSG-ARFHVFGLSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001107042476 845318346 /nfs/dbraw/zinc/31/83/46/845318346.db2.gz NVJKEZJTSDKOKH-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP COC[C@@H](C(=O)OC)[N@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727744 861557758 /nfs/dbraw/zinc/55/77/58/861557758.db2.gz SJUJMTOTSHOZAK-WMLDXEAASA-N 2 1 350.419 0.033 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCS(C)(=O)=O)CC2 ZINC001107329063 845352979 /nfs/dbraw/zinc/35/29/79/845352979.db2.gz GVFGYEHWDSSKMW-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2 ZINC001107329063 845352986 /nfs/dbraw/zinc/35/29/86/845352986.db2.gz GVFGYEHWDSSKMW-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCS(C)(=O)=O)CC2 ZINC001107329063 845352989 /nfs/dbraw/zinc/35/29/89/845352989.db2.gz GVFGYEHWDSSKMW-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438881 845373961 /nfs/dbraw/zinc/37/39/61/845373961.db2.gz MAIHAFWQBKBBKM-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438881 845373971 /nfs/dbraw/zinc/37/39/71/845373971.db2.gz MAIHAFWQBKBBKM-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438881 845373980 /nfs/dbraw/zinc/37/39/80/845373980.db2.gz MAIHAFWQBKBBKM-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001107530603 845391912 /nfs/dbraw/zinc/39/19/12/845391912.db2.gz BPKKZURWGNSVOI-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530151 845392327 /nfs/dbraw/zinc/39/23/27/845392327.db2.gz JCTIILISRMYFPO-YQVWRLOYSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107546893 845396086 /nfs/dbraw/zinc/39/60/86/845396086.db2.gz SJESWBOWEBVMNJ-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107546893 845396091 /nfs/dbraw/zinc/39/60/91/845396091.db2.gz SJESWBOWEBVMNJ-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107546893 845396095 /nfs/dbraw/zinc/39/60/95/845396095.db2.gz SJESWBOWEBVMNJ-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107546893 845396100 /nfs/dbraw/zinc/39/61/00/845396100.db2.gz SJESWBOWEBVMNJ-LZLYRXPVSA-N 2 1 371.547 0.876 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107585579 845402887 /nfs/dbraw/zinc/40/28/87/845402887.db2.gz HMJOPLMHWKABFF-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N1CCC1)CC2 ZINC001107646802 845415331 /nfs/dbraw/zinc/41/53/31/845415331.db2.gz WXIOPHZKBXJSMW-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107646802 845415339 /nfs/dbraw/zinc/41/53/39/845415339.db2.gz WXIOPHZKBXJSMW-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107646802 845415344 /nfs/dbraw/zinc/41/53/44/845415344.db2.gz WXIOPHZKBXJSMW-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109653845 845705820 /nfs/dbraw/zinc/70/58/20/845705820.db2.gz JITGAIOUELVFRF-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109653845 845705825 /nfs/dbraw/zinc/70/58/25/845705825.db2.gz JITGAIOUELVFRF-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001109654138 845706026 /nfs/dbraw/zinc/70/60/26/845706026.db2.gz YLADCTVFZROXFD-IKGGRYGDSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001109654138 845706031 /nfs/dbraw/zinc/70/60/31/845706031.db2.gz YLADCTVFZROXFD-IKGGRYGDSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109673897 845710810 /nfs/dbraw/zinc/71/08/10/845710810.db2.gz SYVHYTZVYCFEHS-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109673897 845710818 /nfs/dbraw/zinc/71/08/18/845710818.db2.gz SYVHYTZVYCFEHS-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902747 845756287 /nfs/dbraw/zinc/75/62/87/845756287.db2.gz YTBGZFULOIFNSS-BVUBDWEXSA-N 2 1 352.479 0.083 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902747 845756297 /nfs/dbraw/zinc/75/62/97/845756297.db2.gz YTBGZFULOIFNSS-BVUBDWEXSA-N 2 1 352.479 0.083 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977793 845771054 /nfs/dbraw/zinc/77/10/54/845771054.db2.gz ZVRUESKLLZAIQN-PMPSAXMXSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977793 845771057 /nfs/dbraw/zinc/77/10/57/845771057.db2.gz ZVRUESKLLZAIQN-PMPSAXMXSA-N 2 1 354.495 0.153 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980713 845771964 /nfs/dbraw/zinc/77/19/64/845771964.db2.gz YBDGOWJPLHHTBH-UGUYLWEFSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980713 845771967 /nfs/dbraw/zinc/77/19/67/845771967.db2.gz YBDGOWJPLHHTBH-UGUYLWEFSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002793 845774126 /nfs/dbraw/zinc/77/41/26/845774126.db2.gz VKPNOFIHWYIUIU-MQYQWHSLSA-N 2 1 353.467 0.023 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002793 845774132 /nfs/dbraw/zinc/77/41/32/845774132.db2.gz VKPNOFIHWYIUIU-MQYQWHSLSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001110019181 845777885 /nfs/dbraw/zinc/77/78/85/845777885.db2.gz JOSVZVUZIMGDHP-MQYQWHSLSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001110019181 845777893 /nfs/dbraw/zinc/77/78/93/845777893.db2.gz JOSVZVUZIMGDHP-MQYQWHSLSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001110019181 845777902 /nfs/dbraw/zinc/77/79/02/845777902.db2.gz JOSVZVUZIMGDHP-MQYQWHSLSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001110019181 845777910 /nfs/dbraw/zinc/77/79/10/845777910.db2.gz JOSVZVUZIMGDHP-MQYQWHSLSA-N 2 1 353.467 0.023 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001110101802 845789812 /nfs/dbraw/zinc/78/98/12/845789812.db2.gz GNKKLFWMZXRWPB-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001110101802 845789816 /nfs/dbraw/zinc/78/98/16/845789816.db2.gz GNKKLFWMZXRWPB-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001110126262 845801079 /nfs/dbraw/zinc/80/10/79/845801079.db2.gz NKVMZISQPQWHTQ-QZWWFDLISA-N 2 1 355.479 0.092 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001110126262 845801082 /nfs/dbraw/zinc/80/10/82/845801082.db2.gz NKVMZISQPQWHTQ-QZWWFDLISA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)C1 ZINC001110126262 845801085 /nfs/dbraw/zinc/80/10/85/845801085.db2.gz NKVMZISQPQWHTQ-QZWWFDLISA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOC)C1 ZINC001110126262 845801090 /nfs/dbraw/zinc/80/10/90/845801090.db2.gz NKVMZISQPQWHTQ-QZWWFDLISA-N 2 1 355.479 0.092 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961195 846002460 /nfs/dbraw/zinc/00/24/60/846002460.db2.gz VTALXPKQWQWTBX-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111296460 846079953 /nfs/dbraw/zinc/07/99/53/846079953.db2.gz KPFVDCYFPZFLDP-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111296460 846079960 /nfs/dbraw/zinc/07/99/60/846079960.db2.gz KPFVDCYFPZFLDP-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111298857 846080849 /nfs/dbraw/zinc/08/08/49/846080849.db2.gz UNOAMGVKUOMWQQ-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111298857 846080854 /nfs/dbraw/zinc/08/08/54/846080854.db2.gz UNOAMGVKUOMWQQ-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415352 846103439 /nfs/dbraw/zinc/10/34/39/846103439.db2.gz QFNMEZBJFCMGQL-TVFCKZIOSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111464415 846117773 /nfs/dbraw/zinc/11/77/73/846117773.db2.gz VBENEJNZWFSZGF-KFWWJZLASA-N 2 1 350.463 0.197 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111464415 846117777 /nfs/dbraw/zinc/11/77/77/846117777.db2.gz VBENEJNZWFSZGF-KFWWJZLASA-N 2 1 350.463 0.197 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111464415 846117783 /nfs/dbraw/zinc/11/77/83/846117783.db2.gz VBENEJNZWFSZGF-KFWWJZLASA-N 2 1 350.463 0.197 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111464415 846117788 /nfs/dbraw/zinc/11/77/88/846117788.db2.gz VBENEJNZWFSZGF-KFWWJZLASA-N 2 1 350.463 0.197 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111860197 846232671 /nfs/dbraw/zinc/23/26/71/846232671.db2.gz UWSWIXXGDQDYMA-LPHOPBHVSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001111864313 846235665 /nfs/dbraw/zinc/23/56/65/846235665.db2.gz KDKBWWVJEJVKMS-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2)[NH+](C)C ZINC001111875120 846241510 /nfs/dbraw/zinc/24/15/10/846241510.db2.gz SENYXCWEFIWPIP-MPGHIAIKSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCC1)C2 ZINC001111948957 846271022 /nfs/dbraw/zinc/27/10/22/846271022.db2.gz FYEYBDDIXBMLDT-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111948957 846271033 /nfs/dbraw/zinc/27/10/33/846271033.db2.gz FYEYBDDIXBMLDT-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111948957 846271042 /nfs/dbraw/zinc/27/10/42/846271042.db2.gz FYEYBDDIXBMLDT-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCN(CC)C1=O)C2 ZINC001111952594 846274756 /nfs/dbraw/zinc/27/47/56/846274756.db2.gz QAJMLPRBDIYICN-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001111952594 846274765 /nfs/dbraw/zinc/27/47/65/846274765.db2.gz QAJMLPRBDIYICN-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001111952594 846274769 /nfs/dbraw/zinc/27/47/69/846274769.db2.gz QAJMLPRBDIYICN-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCOC(=O)C(=O)C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276868264 861658746 /nfs/dbraw/zinc/65/87/46/861658746.db2.gz IAQZMFJVMFRXOE-GOSISDBHSA-N 2 1 353.463 0.385 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001112009471 846294147 /nfs/dbraw/zinc/29/41/47/846294147.db2.gz DTSQSVKIMSRQER-RYRKJORJSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001112009471 846294154 /nfs/dbraw/zinc/29/41/54/846294154.db2.gz DTSQSVKIMSRQER-RYRKJORJSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001112009471 846294163 /nfs/dbraw/zinc/29/41/63/846294163.db2.gz DTSQSVKIMSRQER-RYRKJORJSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001112009471 846294166 /nfs/dbraw/zinc/29/41/66/846294166.db2.gz DTSQSVKIMSRQER-RYRKJORJSA-N 2 1 371.547 0.732 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112121563 846400418 /nfs/dbraw/zinc/40/04/18/846400418.db2.gz SSHXHUIRBMDNGU-AAVRWANBSA-N 2 1 367.412 0.721 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112121563 846400421 /nfs/dbraw/zinc/40/04/21/846400421.db2.gz SSHXHUIRBMDNGU-AAVRWANBSA-N 2 1 367.412 0.721 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112123684 846401710 /nfs/dbraw/zinc/40/17/10/846401710.db2.gz VZMLSCATJOICEB-IJLUTSLNSA-N 2 1 366.428 0.960 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153653 846420841 /nfs/dbraw/zinc/42/08/41/846420841.db2.gz RJFWNDKQYLALMW-WUHRBBMRSA-N 2 1 364.412 0.442 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153653 846420843 /nfs/dbraw/zinc/42/08/43/846420843.db2.gz RJFWNDKQYLALMW-WUHRBBMRSA-N 2 1 364.412 0.442 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154259 846420879 /nfs/dbraw/zinc/42/08/79/846420879.db2.gz CMPHNSSMIYJOMM-IJLUTSLNSA-N 2 1 364.412 0.442 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154652 846422266 /nfs/dbraw/zinc/42/22/66/846422266.db2.gz WDVSSYGDBMXPNU-VXGBXAGGSA-N 2 1 364.412 0.395 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154659 846422393 /nfs/dbraw/zinc/42/23/93/846422393.db2.gz WJZFTGFQSVMCPB-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155834 846423336 /nfs/dbraw/zinc/42/33/36/846423336.db2.gz MOGPEJPTMNRJNF-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112160084 846425288 /nfs/dbraw/zinc/42/52/88/846425288.db2.gz RMMCMGVWHVLBSP-VXGBXAGGSA-N 2 1 350.385 0.149 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112166426 846429729 /nfs/dbraw/zinc/42/97/29/846429729.db2.gz SOZKXVMWLSXLHJ-YNEHKIRRSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112166426 846429730 /nfs/dbraw/zinc/42/97/30/846429730.db2.gz SOZKXVMWLSXLHJ-YNEHKIRRSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112195036 846454075 /nfs/dbraw/zinc/45/40/75/846454075.db2.gz DWQQQZHVFORPMY-QJPTWQEYSA-N 2 1 352.401 0.571 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112211962 846468842 /nfs/dbraw/zinc/46/88/42/846468842.db2.gz GCWZRGHNYFDUPG-FRRDWIJNSA-N 2 1 364.412 0.536 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112211962 846468845 /nfs/dbraw/zinc/46/88/45/846468845.db2.gz GCWZRGHNYFDUPG-FRRDWIJNSA-N 2 1 364.412 0.536 20 0 FCADMP COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291706 846490610 /nfs/dbraw/zinc/49/06/10/846490610.db2.gz VKFDJUHENMOONK-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291706 846490615 /nfs/dbraw/zinc/49/06/15/846490615.db2.gz VKFDJUHENMOONK-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112557396 846523747 /nfs/dbraw/zinc/52/37/47/846523747.db2.gz DRSSEZWHJJDYDR-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563128 846525200 /nfs/dbraw/zinc/52/52/00/846525200.db2.gz GVWPUSSJWMOSIG-BXWFABGCSA-N 2 1 350.507 0.683 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112567293 846526071 /nfs/dbraw/zinc/52/60/71/846526071.db2.gz HKKGPQMZAXGENQ-KXBFYZLASA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578522 846528986 /nfs/dbraw/zinc/52/89/86/846528986.db2.gz SLRJADOQSYMVHC-GJYPPUQNSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCS(C)(=O)=O)CCCCC2)CC[N@H+]1C ZINC001115543568 846561361 /nfs/dbraw/zinc/56/13/61/846561361.db2.gz PUVTZJPMKUVCGE-HUUCEWRRSA-N 2 1 359.536 0.780 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC2=O)COCC[N@H+](C2CC2)C3)CC1 ZINC001276937696 861696652 /nfs/dbraw/zinc/69/66/52/861696652.db2.gz FXUBIYCWWMSUTG-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC2=O)COCC[N@@H+](C2CC2)C3)CC1 ZINC001276937696 861696660 /nfs/dbraw/zinc/69/66/60/861696660.db2.gz FXUBIYCWWMSUTG-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC2=O)COCC[N@H+](C2CC2)C3)CC1 ZINC001276937696 861696670 /nfs/dbraw/zinc/69/66/70/861696670.db2.gz FXUBIYCWWMSUTG-LJQANCHMSA-N 2 1 350.507 0.337 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[NH+]2CC=CC2)CC1 ZINC001116858901 846787195 /nfs/dbraw/zinc/78/71/95/846787195.db2.gz OMRPAUORXXAULL-UHFFFAOYSA-N 2 1 352.479 0.917 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccco1 ZINC001116968089 846822678 /nfs/dbraw/zinc/82/26/78/846822678.db2.gz MRBRFTVKMRCUTQ-RBSFLKMASA-N 2 1 350.463 0.988 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001117121906 846898832 /nfs/dbraw/zinc/89/88/32/846898832.db2.gz FNRADXBEGDAOKX-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117121906 846898843 /nfs/dbraw/zinc/89/88/43/846898843.db2.gz FNRADXBEGDAOKX-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001117121906 846898850 /nfs/dbraw/zinc/89/88/50/846898850.db2.gz FNRADXBEGDAOKX-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304972 847807029 /nfs/dbraw/zinc/80/70/29/847807029.db2.gz XPKMJTHOWRPLJC-QWHCGFSZSA-N 2 1 364.412 0.669 20 0 FCADMP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001120502847 848223197 /nfs/dbraw/zinc/22/31/97/848223197.db2.gz GEGXAMAWLKQJFH-CRAIPNDOSA-N 2 1 352.431 0.259 20 0 FCADMP CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121133630 848322051 /nfs/dbraw/zinc/32/20/51/848322051.db2.gz FXFWBQQOGQAMAC-FJGTUQKNSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001121928024 848420063 /nfs/dbraw/zinc/42/00/63/848420063.db2.gz MAIVPTVUGUORRK-KZNAEPCWSA-N 2 1 352.523 0.677 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564649 848606892 /nfs/dbraw/zinc/60/68/92/848606892.db2.gz ORQVESCJPNOKBL-DLBZAZTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCN1C ZINC001123794853 848639496 /nfs/dbraw/zinc/63/94/96/848639496.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123794853 848639497 /nfs/dbraw/zinc/63/94/97/848639497.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123794853 848639499 /nfs/dbraw/zinc/63/94/99/848639499.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638546 848730035 /nfs/dbraw/zinc/73/00/35/848730035.db2.gz LTBZRIATKQRQBQ-YNEHKIRRSA-N 2 1 355.483 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001127701848 848732457 /nfs/dbraw/zinc/73/24/57/848732457.db2.gz YWINSLVAPLUCQG-NWDGAFQWSA-N 2 1 352.401 0.491 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2CC(F)(F)F)CC[N@@H+]1C ZINC001127701110 848733124 /nfs/dbraw/zinc/73/31/24/848733124.db2.gz JCMJDAWAOSBHLP-WDEREUQCSA-N 2 1 363.388 0.172 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2CC(F)(F)F)CC[N@H+]1C ZINC001127701110 848733127 /nfs/dbraw/zinc/73/31/27/848733127.db2.gz JCMJDAWAOSBHLP-WDEREUQCSA-N 2 1 363.388 0.172 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054963 848801263 /nfs/dbraw/zinc/80/12/63/848801263.db2.gz SEXJHLGFDAPSQY-XHSDSOJGSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054963 848801269 /nfs/dbraw/zinc/80/12/69/848801269.db2.gz SEXJHLGFDAPSQY-XHSDSOJGSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054963 848801272 /nfs/dbraw/zinc/80/12/72/848801272.db2.gz SEXJHLGFDAPSQY-XHSDSOJGSA-N 2 1 352.458 0.854 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219885 848819254 /nfs/dbraw/zinc/81/92/54/848819254.db2.gz MEKQGVWHHVWYFW-KFWWJZLASA-N 2 1 352.458 0.710 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129326850 848831571 /nfs/dbraw/zinc/83/15/71/848831571.db2.gz NGMYQIXYNCMNPK-CVEARBPZSA-N 2 1 352.483 0.124 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129326850 848831576 /nfs/dbraw/zinc/83/15/76/848831576.db2.gz NGMYQIXYNCMNPK-CVEARBPZSA-N 2 1 352.483 0.124 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129326850 848831580 /nfs/dbraw/zinc/83/15/80/848831580.db2.gz NGMYQIXYNCMNPK-CVEARBPZSA-N 2 1 352.483 0.124 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129326850 848831584 /nfs/dbraw/zinc/83/15/84/848831584.db2.gz NGMYQIXYNCMNPK-CVEARBPZSA-N 2 1 352.483 0.124 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337295 848832269 /nfs/dbraw/zinc/83/22/69/848832269.db2.gz AFSVXCQMGNBLGW-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370478 848835518 /nfs/dbraw/zinc/83/55/18/848835518.db2.gz XAQDPWRTJBTRNZ-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370478 848835519 /nfs/dbraw/zinc/83/55/19/848835519.db2.gz XAQDPWRTJBTRNZ-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370478 848835522 /nfs/dbraw/zinc/83/55/22/848835522.db2.gz XAQDPWRTJBTRNZ-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407560 848840993 /nfs/dbraw/zinc/84/09/93/848840993.db2.gz QDEHOUGWQYQALP-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407560 848841000 /nfs/dbraw/zinc/84/10/00/848841000.db2.gz QDEHOUGWQYQALP-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129407560 848841006 /nfs/dbraw/zinc/84/10/06/848841006.db2.gz QDEHOUGWQYQALP-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454145 848846173 /nfs/dbraw/zinc/84/61/73/848846173.db2.gz XHUQTAKRBFLYMO-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454145 848846181 /nfs/dbraw/zinc/84/61/81/848846181.db2.gz XHUQTAKRBFLYMO-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129918554 848916403 /nfs/dbraw/zinc/91/64/03/848916403.db2.gz DGXDYCUKALLILI-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130081319 848941737 /nfs/dbraw/zinc/94/17/37/848941737.db2.gz IUZFCTBSLUDYLV-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130081319 848941738 /nfs/dbraw/zinc/94/17/38/848941738.db2.gz IUZFCTBSLUDYLV-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107002 848945775 /nfs/dbraw/zinc/94/57/75/848945775.db2.gz CUNQLJNNVDIRRY-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137074 848949959 /nfs/dbraw/zinc/94/99/59/848949959.db2.gz HWNPFSGANSFSGC-CVEARBPZSA-N 2 1 352.483 0.385 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)O1 ZINC001130182574 848961826 /nfs/dbraw/zinc/96/18/26/848961826.db2.gz NRUXHHUXKFHXCZ-CZUORRHYSA-N 2 1 369.487 0.015 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)O1 ZINC001130182574 848961832 /nfs/dbraw/zinc/96/18/32/848961832.db2.gz NRUXHHUXKFHXCZ-CZUORRHYSA-N 2 1 369.487 0.015 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001130184458 848963282 /nfs/dbraw/zinc/96/32/82/848963282.db2.gz RHOOYEUQRAYENM-IIAWOOMASA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001130184458 848963285 /nfs/dbraw/zinc/96/32/85/848963285.db2.gz RHOOYEUQRAYENM-IIAWOOMASA-N 2 1 354.495 0.249 20 0 FCADMP COc1ccc(OCC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130184597 848963941 /nfs/dbraw/zinc/96/39/41/848963941.db2.gz VUWSSZMOHGSIPD-RHSMWYFYSA-N 2 1 351.447 0.499 20 0 FCADMP COc1ccc(OCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130184597 848963946 /nfs/dbraw/zinc/96/39/46/848963946.db2.gz VUWSSZMOHGSIPD-RHSMWYFYSA-N 2 1 351.447 0.499 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130305197 848999042 /nfs/dbraw/zinc/99/90/42/848999042.db2.gz NDJMENWDXXYEHH-QAPCUYQASA-N 2 1 356.486 0.773 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cnns2)c1 ZINC001130669885 849025336 /nfs/dbraw/zinc/02/53/36/849025336.db2.gz LSWKKTRKMGXSJQ-DZGCQCFKSA-N 2 1 363.491 0.308 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316700 849095038 /nfs/dbraw/zinc/09/50/38/849095038.db2.gz SGOFBYQNFGQBJX-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321105 849096642 /nfs/dbraw/zinc/09/66/42/849096642.db2.gz MTECTUTYZDYVGU-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131321105 849096645 /nfs/dbraw/zinc/09/66/45/849096645.db2.gz MTECTUTYZDYVGU-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131321105 849096647 /nfs/dbraw/zinc/09/66/47/849096647.db2.gz MTECTUTYZDYVGU-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001142629639 849456720 /nfs/dbraw/zinc/45/67/20/849456720.db2.gz UGCWHYQOWORSMW-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583759 849586250 /nfs/dbraw/zinc/58/62/50/849586250.db2.gz UPGHAYWHIKTJIN-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583759 849586261 /nfs/dbraw/zinc/58/62/61/849586261.db2.gz UPGHAYWHIKTJIN-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583759 849586267 /nfs/dbraw/zinc/58/62/67/849586267.db2.gz UPGHAYWHIKTJIN-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583759 849586277 /nfs/dbraw/zinc/58/62/77/849586277.db2.gz UPGHAYWHIKTJIN-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)CCCO2)CC[N@H+]1C ZINC001149733807 849645347 /nfs/dbraw/zinc/64/53/47/849645347.db2.gz NMTJENJGBRTYEQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCC3CC3)CCCO2)CC[NH+]1C ZINC001149733807 849645356 /nfs/dbraw/zinc/64/53/56/849645356.db2.gz NMTJENJGBRTYEQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC3CC3)CCCO2)CC[NH+]1C ZINC001149733807 849645365 /nfs/dbraw/zinc/64/53/65/849645365.db2.gz NMTJENJGBRTYEQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733523 849645446 /nfs/dbraw/zinc/64/54/46/849645446.db2.gz HGTLQXYDHCFTIJ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733523 849645453 /nfs/dbraw/zinc/64/54/53/849645453.db2.gz HGTLQXYDHCFTIJ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733523 849645463 /nfs/dbraw/zinc/64/54/63/849645463.db2.gz HGTLQXYDHCFTIJ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733523 849645466 /nfs/dbraw/zinc/64/54/66/849645466.db2.gz HGTLQXYDHCFTIJ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(S(=O)(=O)NC4CC4)cn3)C2)C1 ZINC001155383873 849850101 /nfs/dbraw/zinc/85/01/01/849850101.db2.gz SWSIHYUXMBRMNE-OAHLLOKOSA-N 2 1 365.503 0.382 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc1 ZINC001155381953 849850229 /nfs/dbraw/zinc/85/02/29/849850229.db2.gz IZJDNSQDIMBDKF-CQSZACIVSA-N 2 1 353.492 0.191 20 0 FCADMP C[N@@H+]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001157258921 849957778 /nfs/dbraw/zinc/95/77/78/849957778.db2.gz BNYAROSXBGZJRZ-DOMZBBRYSA-N 2 1 365.503 0.099 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001157258921 849957785 /nfs/dbraw/zinc/95/77/85/849957785.db2.gz BNYAROSXBGZJRZ-DOMZBBRYSA-N 2 1 365.503 0.099 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001158403917 850047642 /nfs/dbraw/zinc/04/76/42/850047642.db2.gz MZCPVFHPUZBPTE-UONOGXRCSA-N 2 1 350.467 0.135 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001158428707 850049421 /nfs/dbraw/zinc/04/94/21/850049421.db2.gz PPHNQEYGCFTRCU-DAXOMENPSA-N 2 1 350.438 0.788 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158855038 850081222 /nfs/dbraw/zinc/08/12/22/850081222.db2.gz AWBOLKZAFKQCFP-AWEZNQCLSA-N 3 1 350.511 0.981 20 0 FCADMP CC(C)N(C)Cc1[nH]nc2c1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158855038 850081225 /nfs/dbraw/zinc/08/12/25/850081225.db2.gz AWBOLKZAFKQCFP-AWEZNQCLSA-N 2 1 350.511 0.981 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)O1 ZINC001159243601 850104386 /nfs/dbraw/zinc/10/43/86/850104386.db2.gz QKINSZINJYCBJM-FMKPAKJESA-N 3 1 350.467 0.541 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001159481775 850117406 /nfs/dbraw/zinc/11/74/06/850117406.db2.gz VTCSPTSSGSVJDN-ZIFCJYIRSA-N 2 1 351.491 0.572 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3CCC(C[NH3+])CC3)CC[C@@H]2C1 ZINC001159635139 850125627 /nfs/dbraw/zinc/12/56/27/850125627.db2.gz IBFDLPMLYBLZDI-OPQOLIRYSA-N 2 1 353.507 0.947 20 0 FCADMP Cc1nc(CN2CC[C@@]3(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)C2=O)cs1 ZINC001159781103 850135579 /nfs/dbraw/zinc/13/55/79/850135579.db2.gz GIYBKGUFAGWJOL-WMLDXEAASA-N 2 1 365.503 0.469 20 0 FCADMP [NH3+]C[C@@]1(Nc2nc(Cl)ncc2N2CCOCC2)C[NH+]2CCC1CC2 ZINC001160512996 850178364 /nfs/dbraw/zinc/17/83/64/850178364.db2.gz HXYMHHMVZIRUMP-MRXNPFEDSA-N 2 1 352.870 0.802 20 0 FCADMP C[NH+]1CCC(Oc2cc[nH+]c(NCCN3CCS(=O)(=O)CC3)c2)CC1 ZINC001160649849 850188756 /nfs/dbraw/zinc/18/87/56/850188756.db2.gz YCUOECJDOPQKRZ-UHFFFAOYSA-N 2 1 368.503 0.697 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]2C1 ZINC001160704380 850194036 /nfs/dbraw/zinc/19/40/36/850194036.db2.gz JWQNNCDXFPEMJL-TUAOUCFPSA-N 2 1 350.385 0.183 20 0 FCADMP CCCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862310 850209763 /nfs/dbraw/zinc/20/97/63/850209763.db2.gz MNSIEDGNGRQYEH-UKRRQHHQSA-N 2 1 352.483 0.312 20 0 FCADMP CCCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862310 850209771 /nfs/dbraw/zinc/20/97/71/850209771.db2.gz MNSIEDGNGRQYEH-UKRRQHHQSA-N 2 1 352.483 0.312 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381618 850255845 /nfs/dbraw/zinc/25/58/45/850255845.db2.gz YNEAMHFODARSHV-KVSKMBFKSA-N 3 1 350.507 0.559 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@](O)(C(F)(F)F)C[C@H]3CO)n2)CC1 ZINC001164157015 850394849 /nfs/dbraw/zinc/39/48/49/850394849.db2.gz GGIFFRISXMWSLP-FZMZJTMJSA-N 2 1 361.368 0.269 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582411 850417609 /nfs/dbraw/zinc/41/76/09/850417609.db2.gz KWMDVKJDYIMQTO-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2C1 ZINC001169140599 850608213 /nfs/dbraw/zinc/60/82/13/850608213.db2.gz SRYFIMHIDZIUGN-BPKGMFCQSA-N 2 1 356.536 0.672 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]2C1 ZINC001169140599 850608218 /nfs/dbraw/zinc/60/82/18/850608218.db2.gz SRYFIMHIDZIUGN-BPKGMFCQSA-N 2 1 356.536 0.672 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]2C1 ZINC001169140599 850608222 /nfs/dbraw/zinc/60/82/22/850608222.db2.gz SRYFIMHIDZIUGN-BPKGMFCQSA-N 2 1 356.536 0.672 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C(C)(C)C[NH3+] ZINC001169163953 850608643 /nfs/dbraw/zinc/60/86/43/850608643.db2.gz TWQQJVNNWIDPTD-LBPRGKRZSA-N 2 1 350.467 0.319 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001170871696 850668591 /nfs/dbraw/zinc/66/85/91/850668591.db2.gz QXOBSTDDGMVNQH-MELADBBJSA-N 2 1 355.483 0.176 20 0 FCADMP CNC(=O)CN1CCO[C@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@H]21 ZINC001171638620 850689900 /nfs/dbraw/zinc/68/99/00/850689900.db2.gz XKKDPZXVDFXDOO-CVEARBPZSA-N 2 1 352.523 0.769 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001171689851 850693026 /nfs/dbraw/zinc/69/30/26/850693026.db2.gz SGKNWPNMDYFYTN-ZDUSSCGKSA-N 2 1 354.451 0.276 20 0 FCADMP COCCCN1CCC([NH2+][C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC)CC1 ZINC001172247410 850708723 /nfs/dbraw/zinc/70/87/23/850708723.db2.gz JHFYXWPDQWYTJY-HOCLYGCPSA-N 2 1 355.479 0.629 20 0 FCADMP COCCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC)CC1 ZINC001172247410 850708727 /nfs/dbraw/zinc/70/87/27/850708727.db2.gz JHFYXWPDQWYTJY-HOCLYGCPSA-N 2 1 355.479 0.629 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730983 850921721 /nfs/dbraw/zinc/92/17/21/850921721.db2.gz IPMFNDKEYYXJRH-QXSJWSMHSA-N 2 1 353.511 0.613 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976419 851142882 /nfs/dbraw/zinc/14/28/82/851142882.db2.gz FZWJAGWGAGAPLD-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976419 851142887 /nfs/dbraw/zinc/14/28/87/851142887.db2.gz FZWJAGWGAGAPLD-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976419 851142892 /nfs/dbraw/zinc/14/28/92/851142892.db2.gz FZWJAGWGAGAPLD-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1(C)CC[NH+](C)CC1)CC2 ZINC001181987787 851145069 /nfs/dbraw/zinc/14/50/69/851145069.db2.gz XMDBUQHSOWVDSQ-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001182701626 851194388 /nfs/dbraw/zinc/19/43/88/851194388.db2.gz YRKHTHSVGNKODI-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254245 851347013 /nfs/dbraw/zinc/34/70/13/851347013.db2.gz ZQUOJUUWLJDREZ-JYJNAYRXSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001185254245 851347020 /nfs/dbraw/zinc/34/70/20/851347020.db2.gz ZQUOJUUWLJDREZ-JYJNAYRXSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001185254245 851347037 /nfs/dbraw/zinc/34/70/37/851347037.db2.gz ZQUOJUUWLJDREZ-JYJNAYRXSA-N 2 1 363.531 0.812 20 0 FCADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186372900 851428713 /nfs/dbraw/zinc/42/87/13/851428713.db2.gz FYLYUVAZUVXILQ-IXDOHACOSA-N 2 1 353.507 0.818 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944917 851630486 /nfs/dbraw/zinc/63/04/86/851630486.db2.gz OXAMIKUIVNJSQH-RCCFBDPRSA-N 2 1 351.491 0.524 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932182 851734511 /nfs/dbraw/zinc/73/45/11/851734511.db2.gz RPNGJIRRFYWCFB-LUKYLMHMSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932182 851734520 /nfs/dbraw/zinc/73/45/20/851734520.db2.gz RPNGJIRRFYWCFB-LUKYLMHMSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932182 851734526 /nfs/dbraw/zinc/73/45/26/851734526.db2.gz RPNGJIRRFYWCFB-LUKYLMHMSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932182 851734533 /nfs/dbraw/zinc/73/45/33/851734533.db2.gz RPNGJIRRFYWCFB-LUKYLMHMSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001188979796 851739291 /nfs/dbraw/zinc/73/92/91/851739291.db2.gz TYKKIFHFIUQNTI-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985833 851740105 /nfs/dbraw/zinc/74/01/05/851740105.db2.gz UJUMWTBPMCUJFO-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317405 851778583 /nfs/dbraw/zinc/77/85/83/851778583.db2.gz NUXBKRSXXSZAMO-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317405 851778590 /nfs/dbraw/zinc/77/85/90/851778590.db2.gz NUXBKRSXXSZAMO-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001189660042 851812446 /nfs/dbraw/zinc/81/24/46/851812446.db2.gz MIRWKTMMZVNRMQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001189660042 851812449 /nfs/dbraw/zinc/81/24/49/851812449.db2.gz MIRWKTMMZVNRMQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189660042 851812452 /nfs/dbraw/zinc/81/24/52/851812452.db2.gz MIRWKTMMZVNRMQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189660042 851812456 /nfs/dbraw/zinc/81/24/56/851812456.db2.gz MIRWKTMMZVNRMQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787528 851825028 /nfs/dbraw/zinc/82/50/28/851825028.db2.gz PQWHRUWRKLDIRE-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787528 851825037 /nfs/dbraw/zinc/82/50/37/851825037.db2.gz PQWHRUWRKLDIRE-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787528 851825049 /nfs/dbraw/zinc/82/50/49/851825049.db2.gz PQWHRUWRKLDIRE-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787528 851825055 /nfs/dbraw/zinc/82/50/55/851825055.db2.gz PQWHRUWRKLDIRE-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1 ZINC001189810585 851826956 /nfs/dbraw/zinc/82/69/56/851826956.db2.gz BUYKJDXPRGRXKT-JYSRZZCRSA-N 2 1 353.507 0.912 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819946 851828635 /nfs/dbraw/zinc/82/86/35/851828635.db2.gz GUQWPDOWVBNVED-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819946 851828638 /nfs/dbraw/zinc/82/86/38/851828638.db2.gz GUQWPDOWVBNVED-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913716 851841653 /nfs/dbraw/zinc/84/16/53/851841653.db2.gz XOPSQKTZRWUOTH-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913716 851841659 /nfs/dbraw/zinc/84/16/59/851841659.db2.gz XOPSQKTZRWUOTH-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913716 851841663 /nfs/dbraw/zinc/84/16/63/851841663.db2.gz XOPSQKTZRWUOTH-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923218 851843761 /nfs/dbraw/zinc/84/37/61/851843761.db2.gz LXGKWAJIHFSXHN-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923218 851843769 /nfs/dbraw/zinc/84/37/69/851843769.db2.gz LXGKWAJIHFSXHN-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923218 851843773 /nfs/dbraw/zinc/84/37/73/851843773.db2.gz LXGKWAJIHFSXHN-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148060 851866783 /nfs/dbraw/zinc/86/67/83/851866783.db2.gz CWZRNEATEYGDQY-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148060 851866793 /nfs/dbraw/zinc/86/67/93/851866793.db2.gz CWZRNEATEYGDQY-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148060 851866800 /nfs/dbraw/zinc/86/68/00/851866800.db2.gz CWZRNEATEYGDQY-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148060 851866804 /nfs/dbraw/zinc/86/68/04/851866804.db2.gz CWZRNEATEYGDQY-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178014 851870464 /nfs/dbraw/zinc/87/04/64/851870464.db2.gz UFVIXBPNUKCVMM-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178014 851870471 /nfs/dbraw/zinc/87/04/71/851870471.db2.gz UFVIXBPNUKCVMM-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212923 851876176 /nfs/dbraw/zinc/87/61/76/851876176.db2.gz OJXUSOVSWVUTLH-RCCFBDPRSA-N 2 1 353.507 0.793 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481599 851911867 /nfs/dbraw/zinc/91/18/67/851911867.db2.gz XFHZRRPUZRIAHL-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278395739 862313894 /nfs/dbraw/zinc/31/38/94/862313894.db2.gz DEVHJIJCXKPSOV-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC2CCOCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001278464571 862339616 /nfs/dbraw/zinc/33/96/16/862339616.db2.gz MJBVEMGLDSRASH-IBGZPJMESA-N 2 1 352.523 0.631 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729151 852478010 /nfs/dbraw/zinc/47/80/10/852478010.db2.gz ULTZNYKGRHAPGX-KZNAEPCWSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729151 852478020 /nfs/dbraw/zinc/47/80/20/852478020.db2.gz ULTZNYKGRHAPGX-KZNAEPCWSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193729151 852478025 /nfs/dbraw/zinc/47/80/25/852478025.db2.gz ULTZNYKGRHAPGX-KZNAEPCWSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193729151 852478033 /nfs/dbraw/zinc/47/80/33/852478033.db2.gz ULTZNYKGRHAPGX-KZNAEPCWSA-N 2 1 355.523 0.798 20 0 FCADMP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738390 852479694 /nfs/dbraw/zinc/47/96/94/852479694.db2.gz SNHDXMGKFSMAPO-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738390 852479700 /nfs/dbraw/zinc/47/97/00/852479700.db2.gz SNHDXMGKFSMAPO-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738390 852479705 /nfs/dbraw/zinc/47/97/05/852479705.db2.gz SNHDXMGKFSMAPO-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756841 852483015 /nfs/dbraw/zinc/48/30/15/852483015.db2.gz TZKFESNSIFKNJD-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756841 852483019 /nfs/dbraw/zinc/48/30/19/852483019.db2.gz TZKFESNSIFKNJD-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193756841 852483027 /nfs/dbraw/zinc/48/30/27/852483027.db2.gz TZKFESNSIFKNJD-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193756841 852483030 /nfs/dbraw/zinc/48/30/30/852483030.db2.gz TZKFESNSIFKNJD-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193891941 852500924 /nfs/dbraw/zinc/50/09/24/852500924.db2.gz BBJUGBICTGORPM-RBSFLKMASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193891941 852500931 /nfs/dbraw/zinc/50/09/31/852500931.db2.gz BBJUGBICTGORPM-RBSFLKMASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193891941 852500937 /nfs/dbraw/zinc/50/09/37/852500937.db2.gz BBJUGBICTGORPM-RBSFLKMASA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193891941 852500944 /nfs/dbraw/zinc/50/09/44/852500944.db2.gz BBJUGBICTGORPM-RBSFLKMASA-N 2 1 352.504 0.987 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)[NH+](C)C ZINC001193961226 852517043 /nfs/dbraw/zinc/51/70/43/852517043.db2.gz NUJQVKYMWXWQNB-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001194102101 852536897 /nfs/dbraw/zinc/53/68/97/852536897.db2.gz BPMNUBOWQVQMFC-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001194259015 852567992 /nfs/dbraw/zinc/56/79/92/852567992.db2.gz PYCVVJYTIVUYTM-HZPDHXFCSA-N 2 1 351.495 0.392 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001194259015 852567999 /nfs/dbraw/zinc/56/79/99/852567999.db2.gz PYCVVJYTIVUYTM-HZPDHXFCSA-N 2 1 351.495 0.392 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001194259015 852568005 /nfs/dbraw/zinc/56/80/05/852568005.db2.gz PYCVVJYTIVUYTM-HZPDHXFCSA-N 2 1 351.495 0.392 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001194259015 852568015 /nfs/dbraw/zinc/56/80/15/852568015.db2.gz PYCVVJYTIVUYTM-HZPDHXFCSA-N 2 1 351.495 0.392 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832817 852658876 /nfs/dbraw/zinc/65/88/76/852658876.db2.gz TYYOPBHLPDXLTJ-RVKOJVRFSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832817 852658882 /nfs/dbraw/zinc/65/88/82/852658882.db2.gz TYYOPBHLPDXLTJ-RVKOJVRFSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832817 852658889 /nfs/dbraw/zinc/65/88/89/852658889.db2.gz TYYOPBHLPDXLTJ-RVKOJVRFSA-N 2 1 351.491 0.591 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)CCCC1 ZINC001195006353 852691183 /nfs/dbraw/zinc/69/11/83/852691183.db2.gz HBUJGMIENKSQEM-IAGOWNOFSA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195708175 852816309 /nfs/dbraw/zinc/81/63/09/852816309.db2.gz HCNSXTKFCPOWKO-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195708175 852816317 /nfs/dbraw/zinc/81/63/17/852816317.db2.gz HCNSXTKFCPOWKO-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O)[NH+](CC)CC ZINC001196132559 852897193 /nfs/dbraw/zinc/89/71/93/852897193.db2.gz SPJLBYHJEPCLDG-BRWVUGGUSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)[NH+](CC)CC ZINC001196132559 852897197 /nfs/dbraw/zinc/89/71/97/852897197.db2.gz SPJLBYHJEPCLDG-BRWVUGGUSA-N 2 1 351.495 0.244 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207800 852914981 /nfs/dbraw/zinc/91/49/81/852914981.db2.gz UYGODFQPXDTKOR-MGPQQGTHSA-N 2 1 363.449 0.550 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207800 852914989 /nfs/dbraw/zinc/91/49/89/852914989.db2.gz UYGODFQPXDTKOR-MGPQQGTHSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207800 852914993 /nfs/dbraw/zinc/91/49/93/852914993.db2.gz UYGODFQPXDTKOR-MGPQQGTHSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207800 852914998 /nfs/dbraw/zinc/91/49/98/852914998.db2.gz UYGODFQPXDTKOR-MGPQQGTHSA-N 2 1 363.449 0.550 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208053 852916037 /nfs/dbraw/zinc/91/60/37/852916037.db2.gz XUWFAELLRPCBEP-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208053 852916039 /nfs/dbraw/zinc/91/60/39/852916039.db2.gz XUWFAELLRPCBEP-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)C1CC1 ZINC001196208053 852916041 /nfs/dbraw/zinc/91/60/41/852916041.db2.gz XUWFAELLRPCBEP-BRWVUGGUSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251600 852924836 /nfs/dbraw/zinc/92/48/36/852924836.db2.gz LWMNAHNELZXUEL-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001196308062 852934592 /nfs/dbraw/zinc/93/45/92/852934592.db2.gz VUPRVGFWTXMQBF-BFHYXJOUSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001196308062 852934597 /nfs/dbraw/zinc/93/45/97/852934597.db2.gz VUPRVGFWTXMQBF-BFHYXJOUSA-N 2 1 367.412 0.601 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O ZINC001196954210 853039055 /nfs/dbraw/zinc/03/90/55/853039055.db2.gz SNWVYXIODQZDJL-HZPDHXFCSA-N 2 1 353.488 0.174 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001196954210 853039063 /nfs/dbraw/zinc/03/90/63/853039063.db2.gz SNWVYXIODQZDJL-HZPDHXFCSA-N 2 1 353.488 0.174 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001197826495 853169019 /nfs/dbraw/zinc/16/90/19/853169019.db2.gz ZVOCRGAPRODQBK-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127445 853374950 /nfs/dbraw/zinc/37/49/50/853374950.db2.gz CVRJQMJZRLYHIP-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127445 853374958 /nfs/dbraw/zinc/37/49/58/853374958.db2.gz CVRJQMJZRLYHIP-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP COC(=O)CCN(CCC[NH+](C)C)C(=S)NCCC[NH+]1CCOCC1 ZINC001199941790 853464745 /nfs/dbraw/zinc/46/47/45/853464745.db2.gz LJKSWYYZHGQYLB-UHFFFAOYSA-N 2 1 374.551 0.400 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCC(F)F)C2)CC[N@H+]1C ZINC001200547454 853502322 /nfs/dbraw/zinc/50/23/22/853502322.db2.gz NETRYKDJXUHJCS-RBSFLKMASA-N 2 1 363.449 0.815 20 0 FCADMP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635645 853506330 /nfs/dbraw/zinc/50/63/30/853506330.db2.gz BNYDPZBQRKAESH-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205668890 853626438 /nfs/dbraw/zinc/62/64/38/853626438.db2.gz XNHNWPGEGGGYQJ-GOEBONIOSA-N 2 1 350.438 0.537 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001207231261 853793410 /nfs/dbraw/zinc/79/34/10/853793410.db2.gz HZLPWODCETWYGP-OWCLPIDISA-N 2 1 356.486 0.725 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001207231261 853793415 /nfs/dbraw/zinc/79/34/15/853793415.db2.gz HZLPWODCETWYGP-OWCLPIDISA-N 2 1 356.486 0.725 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336413 853806857 /nfs/dbraw/zinc/80/68/57/853806857.db2.gz JLUWMXRCHOBGHW-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336413 853806860 /nfs/dbraw/zinc/80/68/60/853806860.db2.gz JLUWMXRCHOBGHW-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336413 853806864 /nfs/dbraw/zinc/80/68/64/853806864.db2.gz JLUWMXRCHOBGHW-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207336413 853806868 /nfs/dbraw/zinc/80/68/68/853806868.db2.gz JLUWMXRCHOBGHW-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)CCN1C[C@@]23C[N@@H+](CC4CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207435618 853811939 /nfs/dbraw/zinc/81/19/39/853811939.db2.gz RZXJWESIUNSWOC-SQNIBIBYSA-N 2 1 371.547 0.889 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207601344 853828801 /nfs/dbraw/zinc/82/88/01/853828801.db2.gz HVBRYEYMBXNFEL-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207601344 853828806 /nfs/dbraw/zinc/82/88/06/853828806.db2.gz HVBRYEYMBXNFEL-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207601344 853828815 /nfs/dbraw/zinc/82/88/15/853828815.db2.gz HVBRYEYMBXNFEL-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207601344 853828821 /nfs/dbraw/zinc/82/88/21/853828821.db2.gz HVBRYEYMBXNFEL-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207686694 853840557 /nfs/dbraw/zinc/84/05/57/853840557.db2.gz KTJOHKVCGMLWFT-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207686694 853840562 /nfs/dbraw/zinc/84/05/62/853840562.db2.gz KTJOHKVCGMLWFT-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208071311 853891445 /nfs/dbraw/zinc/89/14/45/853891445.db2.gz ZRWCGHCZQSJGFF-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110951 853897672 /nfs/dbraw/zinc/89/76/72/853897672.db2.gz ZPTNYLDRYRDYCG-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411260 853929617 /nfs/dbraw/zinc/92/96/17/853929617.db2.gz PVOUZRYJTZFDRV-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411260 853929622 /nfs/dbraw/zinc/92/96/22/853929622.db2.gz PVOUZRYJTZFDRV-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415726 853931203 /nfs/dbraw/zinc/93/12/03/853931203.db2.gz RNNIIBXSLZBKMF-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415726 853931207 /nfs/dbraw/zinc/93/12/07/853931207.db2.gz RNNIIBXSLZBKMF-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415726 853931211 /nfs/dbraw/zinc/93/12/11/853931211.db2.gz RNNIIBXSLZBKMF-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001208415726 853931214 /nfs/dbraw/zinc/93/12/14/853931214.db2.gz RNNIIBXSLZBKMF-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)CS(C)(=O)=O ZINC001208434967 853933650 /nfs/dbraw/zinc/93/36/50/853933650.db2.gz LPCLOZWWJWCXLF-RRFJBIMHSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)CS(C)(=O)=O ZINC001208434967 853933657 /nfs/dbraw/zinc/93/36/57/853933657.db2.gz LPCLOZWWJWCXLF-RRFJBIMHSA-N 2 1 359.536 0.445 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447873 853935682 /nfs/dbraw/zinc/93/56/82/853935682.db2.gz QAHOZVGVWQBEOQ-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447537 853935738 /nfs/dbraw/zinc/93/57/38/853935738.db2.gz JSWWWUBZVGQLBF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447537 853935741 /nfs/dbraw/zinc/93/57/41/853935741.db2.gz JSWWWUBZVGQLBF-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485852 853941020 /nfs/dbraw/zinc/94/10/20/853941020.db2.gz UJQQGZKXMCZXQF-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611940 853960611 /nfs/dbraw/zinc/96/06/11/853960611.db2.gz YPLFQBNEJRLACJ-IEBWSBKVSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208611940 853960616 /nfs/dbraw/zinc/96/06/16/853960616.db2.gz YPLFQBNEJRLACJ-IEBWSBKVSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208611940 853960621 /nfs/dbraw/zinc/96/06/21/853960621.db2.gz YPLFQBNEJRLACJ-IEBWSBKVSA-N 2 1 352.523 0.489 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C)[NH+](C)C ZINC001208699388 853967413 /nfs/dbraw/zinc/96/74/13/853967413.db2.gz OSBVEPAYORRGKP-BMFZPTHFSA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C)[NH+](C)C ZINC001208699388 853967420 /nfs/dbraw/zinc/96/74/20/853967420.db2.gz OSBVEPAYORRGKP-BMFZPTHFSA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001208698999 853967804 /nfs/dbraw/zinc/96/78/04/853967804.db2.gz JAFCYIBVSANGNR-KFWWJZLASA-N 2 1 355.527 0.861 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001208698999 853967805 /nfs/dbraw/zinc/96/78/05/853967805.db2.gz JAFCYIBVSANGNR-KFWWJZLASA-N 2 1 355.527 0.861 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159154 854002097 /nfs/dbraw/zinc/00/20/97/854002097.db2.gz XDOMRFPVLUYGKC-BZUAXINKSA-N 2 1 352.479 0.840 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159154 854002099 /nfs/dbraw/zinc/00/20/99/854002099.db2.gz XDOMRFPVLUYGKC-BZUAXINKSA-N 2 1 352.479 0.840 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001209635706 854042364 /nfs/dbraw/zinc/04/23/64/854042364.db2.gz VEZJVUVTSMSSPT-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001209635706 854042371 /nfs/dbraw/zinc/04/23/71/854042371.db2.gz VEZJVUVTSMSSPT-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427141 854108411 /nfs/dbraw/zinc/10/84/11/854108411.db2.gz OXKBNVDMCNUCJU-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427141 854108419 /nfs/dbraw/zinc/10/84/19/854108419.db2.gz OXKBNVDMCNUCJU-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426987 854108984 /nfs/dbraw/zinc/10/89/84/854108984.db2.gz MKDLURCEUNGBHO-HZPDHXFCSA-N 2 1 355.527 0.862 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427621 854109948 /nfs/dbraw/zinc/10/99/48/854109948.db2.gz XTUQPOQIKKWJSX-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427621 854109953 /nfs/dbraw/zinc/10/99/53/854109953.db2.gz XTUQPOQIKKWJSX-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025508 854147910 /nfs/dbraw/zinc/14/79/10/854147910.db2.gz KEFUYMDPDVGTIC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025508 854147911 /nfs/dbraw/zinc/14/79/11/854147911.db2.gz KEFUYMDPDVGTIC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211025508 854147912 /nfs/dbraw/zinc/14/79/12/854147912.db2.gz KEFUYMDPDVGTIC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211025508 854147913 /nfs/dbraw/zinc/14/79/13/854147913.db2.gz KEFUYMDPDVGTIC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192003 854167023 /nfs/dbraw/zinc/16/70/23/854167023.db2.gz ZRPIIYBBPBZMTB-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309438 854176283 /nfs/dbraw/zinc/17/62/83/854176283.db2.gz DYUNMWOLACHWCJ-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310745 854176345 /nfs/dbraw/zinc/17/63/45/854176345.db2.gz VTOWQKIRHSBCHN-IXDOHACOSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310745 854176348 /nfs/dbraw/zinc/17/63/48/854176348.db2.gz VTOWQKIRHSBCHN-IXDOHACOSA-N 2 1 371.547 0.734 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213203836 854531799 /nfs/dbraw/zinc/53/17/99/854531799.db2.gz ZDUKVNLRLGBQLW-ARFHVFGLSA-N 2 1 350.463 0.595 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342116 854581707 /nfs/dbraw/zinc/58/17/07/854581707.db2.gz HPUNTQJWXVOOJM-MCIONIFRSA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342116 854581713 /nfs/dbraw/zinc/58/17/13/854581713.db2.gz HPUNTQJWXVOOJM-MCIONIFRSA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CCC1 ZINC001213342189 854582673 /nfs/dbraw/zinc/58/26/73/854582673.db2.gz LBFKNGSDOKHJCI-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC)[NH+](C)C ZINC001213458336 854626157 /nfs/dbraw/zinc/62/61/57/854626157.db2.gz STZDSYQAQQTBPL-IXDOHACOSA-N 2 1 351.495 0.601 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC)[NH+](C)C ZINC001213458336 854626162 /nfs/dbraw/zinc/62/61/62/854626162.db2.gz STZDSYQAQQTBPL-IXDOHACOSA-N 2 1 351.495 0.601 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001213523781 854652053 /nfs/dbraw/zinc/65/20/53/854652053.db2.gz XQINIMNZVPMIMT-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001213523781 854652058 /nfs/dbraw/zinc/65/20/58/854652058.db2.gz XQINIMNZVPMIMT-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578488 854672821 /nfs/dbraw/zinc/67/28/21/854672821.db2.gz RFPAIODDOSVSDS-BRWVUGGUSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578488 854672827 /nfs/dbraw/zinc/67/28/27/854672827.db2.gz RFPAIODDOSVSDS-BRWVUGGUSA-N 2 1 350.463 0.824 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678292 854713474 /nfs/dbraw/zinc/71/34/74/854713474.db2.gz NFLUUYOHPKFRLI-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678292 854713476 /nfs/dbraw/zinc/71/34/76/854713476.db2.gz NFLUUYOHPKFRLI-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678292 854713479 /nfs/dbraw/zinc/71/34/79/854713479.db2.gz NFLUUYOHPKFRLI-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678292 854713483 /nfs/dbraw/zinc/71/34/83/854713483.db2.gz NFLUUYOHPKFRLI-YNEHKIRRSA-N 2 1 355.401 0.457 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213718812 854732563 /nfs/dbraw/zinc/73/25/63/854732563.db2.gz AYBUJTAQRGEVPT-IAGOWNOFSA-N 2 1 353.438 0.719 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213718812 854732567 /nfs/dbraw/zinc/73/25/67/854732567.db2.gz AYBUJTAQRGEVPT-IAGOWNOFSA-N 2 1 353.438 0.719 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728374 854739157 /nfs/dbraw/zinc/73/91/57/854739157.db2.gz IJQIVJZESOKQDH-HUUCEWRRSA-N 2 1 370.519 0.654 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728374 854739164 /nfs/dbraw/zinc/73/91/64/854739164.db2.gz IJQIVJZESOKQDH-HUUCEWRRSA-N 2 1 370.519 0.654 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728464 854739434 /nfs/dbraw/zinc/73/94/34/854739434.db2.gz KWIUNYDYSGEQMO-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728464 854739442 /nfs/dbraw/zinc/73/94/42/854739442.db2.gz KWIUNYDYSGEQMO-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728540 854739813 /nfs/dbraw/zinc/73/98/13/854739813.db2.gz MKSDIUAFUVQBPI-ZIAGYGMSSA-N 2 1 356.492 0.345 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728540 854739818 /nfs/dbraw/zinc/73/98/18/854739818.db2.gz MKSDIUAFUVQBPI-ZIAGYGMSSA-N 2 1 356.492 0.345 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213730424 854740724 /nfs/dbraw/zinc/74/07/24/854740724.db2.gz OYZYGNAOOAFIQD-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213744706 854748262 /nfs/dbraw/zinc/74/82/62/854748262.db2.gz FRMXYPUZOKQMGM-BZUAXINKSA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213744706 854748270 /nfs/dbraw/zinc/74/82/70/854748270.db2.gz FRMXYPUZOKQMGM-BZUAXINKSA-N 2 1 356.511 0.578 20 0 FCADMP CCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213759249 854754634 /nfs/dbraw/zinc/75/46/34/854754634.db2.gz BXMXYESFRXOFOZ-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213759274 854755056 /nfs/dbraw/zinc/75/50/56/854755056.db2.gz CYNLBLDONNOING-GDBMZVCRSA-N 2 1 352.483 0.264 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863289 854797851 /nfs/dbraw/zinc/79/78/51/854797851.db2.gz JFKOSMHPBPFUDG-GVDBMIGSSA-N 2 1 357.495 0.195 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214597137 854975927 /nfs/dbraw/zinc/97/59/27/854975927.db2.gz DUMDQTLMFPSGDC-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214634616 854983565 /nfs/dbraw/zinc/98/35/65/854983565.db2.gz RUYPDNQGDNAFKS-HUUCEWRRSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214861241 855024929 /nfs/dbraw/zinc/02/49/29/855024929.db2.gz MJZNOLKVBOVFLZ-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214890340 855028990 /nfs/dbraw/zinc/02/89/90/855028990.db2.gz WKNCGKXQAWCAPV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001215000073 855049750 /nfs/dbraw/zinc/04/97/50/855049750.db2.gz WTRVVLUDDLXSBW-RBSFLKMASA-N 2 1 361.552 0.834 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001215393394 855108764 /nfs/dbraw/zinc/10/87/64/855108764.db2.gz ZKWLYRXUZYCMIK-KFWWJZLASA-N 2 1 363.449 0.814 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001215393394 855108771 /nfs/dbraw/zinc/10/87/71/855108771.db2.gz ZKWLYRXUZYCMIK-KFWWJZLASA-N 2 1 363.449 0.814 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001215421760 855112917 /nfs/dbraw/zinc/11/29/17/855112917.db2.gz LABUETZYCDGEHS-ZIAGYGMSSA-N 2 1 350.467 0.087 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540305 855126508 /nfs/dbraw/zinc/12/65/08/855126508.db2.gz LGZDQHPUXQMDKA-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215540995 855126969 /nfs/dbraw/zinc/12/69/69/855126969.db2.gz UJDFWUYYKVDSTD-ZMSDIMECSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541031 855127492 /nfs/dbraw/zinc/12/74/92/855127492.db2.gz VIEWSOOJNAEBRX-HBUWYVDXSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001215563489 855129010 /nfs/dbraw/zinc/12/90/10/855129010.db2.gz IQGDDQRWUZVGHS-HZSPNIEDSA-N 2 1 352.479 0.206 20 0 FCADMP CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC001215939160 855158600 /nfs/dbraw/zinc/15/86/00/855158600.db2.gz WNEGDZVRHOFRSQ-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216384067 855197735 /nfs/dbraw/zinc/19/77/35/855197735.db2.gz WPSUWNFSGCWUDB-MGPQQGTHSA-N 2 1 365.503 0.860 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001216490946 855206910 /nfs/dbraw/zinc/20/69/10/855206910.db2.gz XVXFGZRBIMYFGW-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001216755973 855232895 /nfs/dbraw/zinc/23/28/95/855232895.db2.gz MNWWJTUCEISSDQ-DGCLKSJQSA-N 2 1 362.459 0.723 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757961 855234281 /nfs/dbraw/zinc/23/42/81/855234281.db2.gz SXTOYNVWCBBLSK-UKRRQHHQSA-N 2 1 356.492 0.453 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217915066 855382311 /nfs/dbraw/zinc/38/23/11/855382311.db2.gz IQZHABRKUOAKHR-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533924 855436655 /nfs/dbraw/zinc/43/66/55/855436655.db2.gz UAXLPZFLAPLWGG-WCQYABFASA-N 3 1 365.503 0.350 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533924 855436658 /nfs/dbraw/zinc/43/66/58/855436658.db2.gz UAXLPZFLAPLWGG-WCQYABFASA-N 3 1 365.503 0.350 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@@H]32)CC1 ZINC001218550547 855437475 /nfs/dbraw/zinc/43/74/75/855437475.db2.gz DTCFOHOKAKTFPI-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218558289 855439671 /nfs/dbraw/zinc/43/96/71/855439671.db2.gz XAPKIEIKWBTMTI-ZNMIVQPWSA-N 2 1 361.433 0.664 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218558289 855439676 /nfs/dbraw/zinc/43/96/76/855439676.db2.gz XAPKIEIKWBTMTI-ZNMIVQPWSA-N 2 1 361.433 0.664 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218600999 855447248 /nfs/dbraw/zinc/44/72/48/855447248.db2.gz WVTVHJUKRZAONQ-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646650 855457090 /nfs/dbraw/zinc/45/70/90/855457090.db2.gz XIHXNRHXBGALFW-IXDOHACOSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646650 855457097 /nfs/dbraw/zinc/45/70/97/855457097.db2.gz XIHXNRHXBGALFW-IXDOHACOSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646650 855457102 /nfs/dbraw/zinc/45/71/02/855457102.db2.gz XIHXNRHXBGALFW-IXDOHACOSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H](COCC(=O)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21)[NH+]1CCCC1 ZINC001218651110 855458683 /nfs/dbraw/zinc/45/86/83/855458683.db2.gz UJEJATFCYOQWRE-YESZJQIVSA-N 2 1 357.470 0.759 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001218971298 855505371 /nfs/dbraw/zinc/50/53/71/855505371.db2.gz XDODNJRNRMVQDZ-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001219627793 855743183 /nfs/dbraw/zinc/74/31/83/855743183.db2.gz HFDTZOAUIVVXCV-SOLBZPMBSA-N 2 1 351.422 0.046 20 0 FCADMP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766528 855804040 /nfs/dbraw/zinc/80/40/40/855804040.db2.gz VMPDGFLQTIHQIN-OWSLCNJRSA-N 2 1 352.523 0.445 20 0 FCADMP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766528 855804042 /nfs/dbraw/zinc/80/40/42/855804042.db2.gz VMPDGFLQTIHQIN-OWSLCNJRSA-N 2 1 352.523 0.445 20 0 FCADMP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794230 855815062 /nfs/dbraw/zinc/81/50/62/855815062.db2.gz UQPFEFUNENPSPG-OLMNPRSZSA-N 2 1 350.507 0.334 20 0 FCADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794914 855816065 /nfs/dbraw/zinc/81/60/65/855816065.db2.gz SNHDXMGKFSMAPO-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794914 855816070 /nfs/dbraw/zinc/81/60/70/855816070.db2.gz SNHDXMGKFSMAPO-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794914 855816073 /nfs/dbraw/zinc/81/60/73/855816073.db2.gz SNHDXMGKFSMAPO-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814181 855829490 /nfs/dbraw/zinc/82/94/90/855829490.db2.gz WUXPAXGYXQIFIO-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814181 855829500 /nfs/dbraw/zinc/82/95/00/855829500.db2.gz WUXPAXGYXQIFIO-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814181 855829508 /nfs/dbraw/zinc/82/95/08/855829508.db2.gz WUXPAXGYXQIFIO-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829678 855834876 /nfs/dbraw/zinc/83/48/76/855834876.db2.gz BBJUGBICTGORPM-ZNMIVQPWSA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829678 855834880 /nfs/dbraw/zinc/83/48/80/855834880.db2.gz BBJUGBICTGORPM-ZNMIVQPWSA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829678 855834884 /nfs/dbraw/zinc/83/48/84/855834884.db2.gz BBJUGBICTGORPM-ZNMIVQPWSA-N 2 1 352.504 0.987 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829678 855834889 /nfs/dbraw/zinc/83/48/89/855834889.db2.gz BBJUGBICTGORPM-ZNMIVQPWSA-N 2 1 352.504 0.987 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219903028 855871742 /nfs/dbraw/zinc/87/17/42/855871742.db2.gz PYCVVJYTIVUYTM-CVEARBPZSA-N 2 1 351.495 0.392 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219903028 855871753 /nfs/dbraw/zinc/87/17/53/855871753.db2.gz PYCVVJYTIVUYTM-CVEARBPZSA-N 2 1 351.495 0.392 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219903028 855871764 /nfs/dbraw/zinc/87/17/64/855871764.db2.gz PYCVVJYTIVUYTM-CVEARBPZSA-N 2 1 351.495 0.392 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219903028 855871770 /nfs/dbraw/zinc/87/17/70/855871770.db2.gz PYCVVJYTIVUYTM-CVEARBPZSA-N 2 1 351.495 0.392 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057907 855937586 /nfs/dbraw/zinc/93/75/86/855937586.db2.gz LBECAGRRXPJAFE-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057907 855937589 /nfs/dbraw/zinc/93/75/89/855937589.db2.gz LBECAGRRXPJAFE-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062273 855941144 /nfs/dbraw/zinc/94/11/44/855941144.db2.gz SOWMCYMOWJIRPY-HZPDHXFCSA-N 2 1 371.547 0.782 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072377 855947007 /nfs/dbraw/zinc/94/70/07/855947007.db2.gz SHEGOMFUWBIPOH-ZACQAIPSSA-N 2 1 355.523 0.821 20 0 FCADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC[S@](C)=O)c1 ZINC001220120747 855970516 /nfs/dbraw/zinc/97/05/16/855970516.db2.gz OOEAFOMILRTIKU-VDBVYFBLSA-N 2 1 368.459 0.494 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220232458 856024857 /nfs/dbraw/zinc/02/48/57/856024857.db2.gz XHODLYZABHCBNW-CABCVRRESA-N 2 1 363.487 0.694 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220232458 856024867 /nfs/dbraw/zinc/02/48/67/856024867.db2.gz XHODLYZABHCBNW-CABCVRRESA-N 2 1 363.487 0.694 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220273908 856038821 /nfs/dbraw/zinc/03/88/21/856038821.db2.gz WUSIUBHQUJMFBL-SJORKVTESA-N 2 1 351.447 0.187 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220273908 856038828 /nfs/dbraw/zinc/03/88/28/856038828.db2.gz WUSIUBHQUJMFBL-SJORKVTESA-N 2 1 351.447 0.187 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345494 856077746 /nfs/dbraw/zinc/07/77/46/856077746.db2.gz XWODYMALNPWHKI-ZACQAIPSSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345494 856077751 /nfs/dbraw/zinc/07/77/51/856077751.db2.gz XWODYMALNPWHKI-ZACQAIPSSA-N 2 1 351.495 0.244 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482177 856147886 /nfs/dbraw/zinc/14/78/86/856147886.db2.gz FXRCJJOATXVULW-CVEARBPZSA-N 2 1 352.479 0.985 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482177 856147889 /nfs/dbraw/zinc/14/78/89/856147889.db2.gz FXRCJJOATXVULW-CVEARBPZSA-N 2 1 352.479 0.985 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220548053 856178297 /nfs/dbraw/zinc/17/82/97/856178297.db2.gz UPMPTRWAWFJEAL-ZACQAIPSSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220548053 856178302 /nfs/dbraw/zinc/17/83/02/856178302.db2.gz UPMPTRWAWFJEAL-ZACQAIPSSA-N 2 1 350.463 0.702 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220585090 856195430 /nfs/dbraw/zinc/19/54/30/856195430.db2.gz WUGKSZATPVFXOS-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220585090 856195435 /nfs/dbraw/zinc/19/54/35/856195435.db2.gz WUGKSZATPVFXOS-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)CC1 ZINC001220642443 856217190 /nfs/dbraw/zinc/21/71/90/856217190.db2.gz BHAQOZLMKWIVPG-MSOLQXFVSA-N 2 1 351.491 0.759 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001220667670 856231449 /nfs/dbraw/zinc/23/14/49/856231449.db2.gz PDJNUTFZIRUYEP-MSOLQXFVSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001220667670 856231451 /nfs/dbraw/zinc/23/14/51/856231451.db2.gz PDJNUTFZIRUYEP-MSOLQXFVSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764302 856287429 /nfs/dbraw/zinc/28/74/29/856287429.db2.gz GFTWFTYKVBBCAB-XYPHTWIQSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764302 856287438 /nfs/dbraw/zinc/28/74/38/856287438.db2.gz GFTWFTYKVBBCAB-XYPHTWIQSA-N 2 1 353.438 0.626 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001220768228 856288994 /nfs/dbraw/zinc/28/89/94/856288994.db2.gz BQMDHCWDUHOTSH-UPJWGTAASA-N 2 1 368.305 0.310 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001220768228 856289003 /nfs/dbraw/zinc/28/90/03/856289003.db2.gz BQMDHCWDUHOTSH-UPJWGTAASA-N 2 1 368.305 0.310 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806716 856310757 /nfs/dbraw/zinc/31/07/57/856310757.db2.gz KZNNPGCHAVLJNP-SJORKVTESA-N 2 1 352.479 0.939 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806716 856310761 /nfs/dbraw/zinc/31/07/61/856310761.db2.gz KZNNPGCHAVLJNP-SJORKVTESA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220831140 856329285 /nfs/dbraw/zinc/32/92/85/856329285.db2.gz QCMBDUYQRMTCIK-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220831140 856329292 /nfs/dbraw/zinc/32/92/92/856329292.db2.gz QCMBDUYQRMTCIK-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220831140 856329302 /nfs/dbraw/zinc/32/93/02/856329302.db2.gz QCMBDUYQRMTCIK-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220831140 856329312 /nfs/dbraw/zinc/32/93/12/856329312.db2.gz QCMBDUYQRMTCIK-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976281 856403835 /nfs/dbraw/zinc/40/38/35/856403835.db2.gz SASCBNHRBNAHJI-TUAOUCFPSA-N 2 1 371.375 0.016 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976281 856403837 /nfs/dbraw/zinc/40/38/37/856403837.db2.gz SASCBNHRBNAHJI-TUAOUCFPSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976281 856403839 /nfs/dbraw/zinc/40/38/39/856403839.db2.gz SASCBNHRBNAHJI-TUAOUCFPSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]2O)C1 ZINC001220976281 856403844 /nfs/dbraw/zinc/40/38/44/856403844.db2.gz SASCBNHRBNAHJI-TUAOUCFPSA-N 2 1 371.375 0.016 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001220985888 856407897 /nfs/dbraw/zinc/40/78/97/856407897.db2.gz IVOUIWCAFANYAK-OIISXLGYSA-N 2 1 353.507 0.552 20 0 FCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073357 856449741 /nfs/dbraw/zinc/44/97/41/856449741.db2.gz RVSMIXLTPVHKSC-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073455 856449874 /nfs/dbraw/zinc/44/98/74/856449874.db2.gz XLEOXJMJDZZDBS-PMPSAXMXSA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073455 856449880 /nfs/dbraw/zinc/44/98/80/856449880.db2.gz XLEOXJMJDZZDBS-PMPSAXMXSA-N 2 1 354.495 0.068 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001221081494 856452716 /nfs/dbraw/zinc/45/27/16/856452716.db2.gz OUGMNSPXXFRQQN-CVEARBPZSA-N 2 1 352.504 0.723 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001221081494 856452722 /nfs/dbraw/zinc/45/27/22/856452722.db2.gz OUGMNSPXXFRQQN-CVEARBPZSA-N 2 1 352.504 0.723 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001221155097 856488117 /nfs/dbraw/zinc/48/81/17/856488117.db2.gz ZPXMHNKZOQYING-KURKYZTESA-N 2 1 353.507 0.840 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)[C@H]2C1 ZINC001279269099 862804891 /nfs/dbraw/zinc/80/48/91/862804891.db2.gz JXQXRUBAXOFZFA-NCOADZHNSA-N 2 1 351.491 0.775 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221248137 856528831 /nfs/dbraw/zinc/52/88/31/856528831.db2.gz KTIJWHSWUSYTNA-FUHWJXTLSA-N 3 1 350.507 0.478 20 0 FCADMP CN1C[C@@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221248137 856528833 /nfs/dbraw/zinc/52/88/33/856528833.db2.gz KTIJWHSWUSYTNA-FUHWJXTLSA-N 2 1 350.507 0.478 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001221560971 856606438 /nfs/dbraw/zinc/60/64/38/856606438.db2.gz RIKBLJUJLWQUQQ-KLHDSHLOSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001221560971 856606442 /nfs/dbraw/zinc/60/64/42/856606442.db2.gz RIKBLJUJLWQUQQ-KLHDSHLOSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001221560971 856606447 /nfs/dbraw/zinc/60/64/47/856606447.db2.gz RIKBLJUJLWQUQQ-KLHDSHLOSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001221560971 856606451 /nfs/dbraw/zinc/60/64/51/856606451.db2.gz RIKBLJUJLWQUQQ-KLHDSHLOSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616527 856625718 /nfs/dbraw/zinc/62/57/18/856625718.db2.gz OFBZSIKUJAAPKG-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221616527 856625727 /nfs/dbraw/zinc/62/57/27/856625727.db2.gz OFBZSIKUJAAPKG-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221616527 856625739 /nfs/dbraw/zinc/62/57/39/856625739.db2.gz OFBZSIKUJAAPKG-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765629 856675570 /nfs/dbraw/zinc/67/55/70/856675570.db2.gz NEVLUGQNKDUZJV-WNRNVDISSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765629 856675576 /nfs/dbraw/zinc/67/55/76/856675576.db2.gz NEVLUGQNKDUZJV-WNRNVDISSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765629 856675581 /nfs/dbraw/zinc/67/55/81/856675581.db2.gz NEVLUGQNKDUZJV-WNRNVDISSA-N 2 1 353.507 0.912 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772627 856677260 /nfs/dbraw/zinc/67/72/60/856677260.db2.gz IEMOLFXKFGKVQY-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772627 856677267 /nfs/dbraw/zinc/67/72/67/856677267.db2.gz IEMOLFXKFGKVQY-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221787037 856682642 /nfs/dbraw/zinc/68/26/42/856682642.db2.gz IBRCGLVNDUUWNW-DJIMGWMZSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221787037 856682646 /nfs/dbraw/zinc/68/26/46/856682646.db2.gz IBRCGLVNDUUWNW-DJIMGWMZSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788447 856683820 /nfs/dbraw/zinc/68/38/20/856683820.db2.gz RSVFVSILMRMUIZ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788447 856683827 /nfs/dbraw/zinc/68/38/27/856683827.db2.gz RSVFVSILMRMUIZ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787684 856684322 /nfs/dbraw/zinc/68/43/22/856684322.db2.gz YUVBPHMYGVNKFE-USXIJHARSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787684 856684325 /nfs/dbraw/zinc/68/43/25/856684325.db2.gz YUVBPHMYGVNKFE-USXIJHARSA-N 2 1 350.507 0.776 20 0 FCADMP CCOC(=O)c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c[nH]1 ZINC001279321030 862825873 /nfs/dbraw/zinc/82/58/73/862825873.db2.gz FDWZDNFEDADYDG-IYBDPMFKSA-N 2 1 350.463 0.638 20 0 FCADMP CCOC(=O)c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c[nH]1 ZINC001279321030 862825877 /nfs/dbraw/zinc/82/58/77/862825877.db2.gz FDWZDNFEDADYDG-IYBDPMFKSA-N 2 1 350.463 0.638 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)C(C)C ZINC001221877943 856720067 /nfs/dbraw/zinc/72/00/67/856720067.db2.gz SNDLUKBILUQCKH-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)C(C)C ZINC001221877943 856720072 /nfs/dbraw/zinc/72/00/72/856720072.db2.gz SNDLUKBILUQCKH-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221883751 856722645 /nfs/dbraw/zinc/72/26/45/856722645.db2.gz SQQJTKYAJFCCLY-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221919484 856732410 /nfs/dbraw/zinc/73/24/10/856732410.db2.gz QZBKZJAIOHTRMG-IAGOWNOFSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221919484 856732414 /nfs/dbraw/zinc/73/24/14/856732414.db2.gz QZBKZJAIOHTRMG-IAGOWNOFSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221919484 856732418 /nfs/dbraw/zinc/73/24/18/856732418.db2.gz QZBKZJAIOHTRMG-IAGOWNOFSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221919484 856732422 /nfs/dbraw/zinc/73/24/22/856732422.db2.gz QZBKZJAIOHTRMG-IAGOWNOFSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969044 856752087 /nfs/dbraw/zinc/75/20/87/856752087.db2.gz NWUHHJDNZLLKKK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969044 856752093 /nfs/dbraw/zinc/75/20/93/856752093.db2.gz NWUHHJDNZLLKKK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969044 856752098 /nfs/dbraw/zinc/75/20/98/856752098.db2.gz NWUHHJDNZLLKKK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018214 856767847 /nfs/dbraw/zinc/76/78/47/856767847.db2.gz RWCWRCYYAWDPPL-KZNAEPCWSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437935 856839525 /nfs/dbraw/zinc/83/95/25/856839525.db2.gz DEACCOFSZXXOQR-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437935 856839531 /nfs/dbraw/zinc/83/95/31/856839531.db2.gz DEACCOFSZXXOQR-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222437935 856839532 /nfs/dbraw/zinc/83/95/32/856839532.db2.gz DEACCOFSZXXOQR-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222437935 856839533 /nfs/dbraw/zinc/83/95/33/856839533.db2.gz DEACCOFSZXXOQR-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC)[C@H]2C1 ZINC001222809927 856874989 /nfs/dbraw/zinc/87/49/89/856874989.db2.gz HJFNHPJCIGQNRP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC)[C@H]2C1 ZINC001222809927 856874993 /nfs/dbraw/zinc/87/49/93/856874993.db2.gz HJFNHPJCIGQNRP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC)[C@H]2C1 ZINC001222809927 856874999 /nfs/dbraw/zinc/87/49/99/856874999.db2.gz HJFNHPJCIGQNRP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC)[C@H]2C1 ZINC001222809927 856875003 /nfs/dbraw/zinc/87/50/03/856875003.db2.gz HJFNHPJCIGQNRP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222906557 856881626 /nfs/dbraw/zinc/88/16/26/856881626.db2.gz ZEWXNNKBZUFNGN-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001222906557 856881631 /nfs/dbraw/zinc/88/16/31/856881631.db2.gz ZEWXNNKBZUFNGN-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001222906557 856881636 /nfs/dbraw/zinc/88/16/36/856881636.db2.gz ZEWXNNKBZUFNGN-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222920954 856882041 /nfs/dbraw/zinc/88/20/41/856882041.db2.gz AMOBDOJSAFQQFE-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222920954 856882048 /nfs/dbraw/zinc/88/20/48/856882048.db2.gz AMOBDOJSAFQQFE-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222920954 856882056 /nfs/dbraw/zinc/88/20/56/856882056.db2.gz AMOBDOJSAFQQFE-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223387576 856911849 /nfs/dbraw/zinc/91/18/49/856911849.db2.gz HCTVCMMFCQNCSG-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223424914 856914988 /nfs/dbraw/zinc/91/49/88/856914988.db2.gz JBKZHNBOGOJRKZ-UAGQMJEPSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223410925 856915561 /nfs/dbraw/zinc/91/55/61/856915561.db2.gz INAPRPGDIQNETA-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223410925 856915573 /nfs/dbraw/zinc/91/55/73/856915573.db2.gz INAPRPGDIQNETA-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505604 856922073 /nfs/dbraw/zinc/92/20/73/856922073.db2.gz KCTXWBUCKXOLDS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505604 856922077 /nfs/dbraw/zinc/92/20/77/856922077.db2.gz KCTXWBUCKXOLDS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505604 856922080 /nfs/dbraw/zinc/92/20/80/856922080.db2.gz KCTXWBUCKXOLDS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505604 856922085 /nfs/dbraw/zinc/92/20/85/856922085.db2.gz KCTXWBUCKXOLDS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570084 856925794 /nfs/dbraw/zinc/92/57/94/856925794.db2.gz JBWZOQHMSWZYMV-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570408 856925873 /nfs/dbraw/zinc/92/58/73/856925873.db2.gz NRADJABSJOMWAG-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223840015 856945108 /nfs/dbraw/zinc/94/51/08/856945108.db2.gz WIHVLYINPHMZPI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223840015 856945112 /nfs/dbraw/zinc/94/51/12/856945112.db2.gz WIHVLYINPHMZPI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223840015 856945121 /nfs/dbraw/zinc/94/51/21/856945121.db2.gz WIHVLYINPHMZPI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223840015 856945129 /nfs/dbraw/zinc/94/51/29/856945129.db2.gz WIHVLYINPHMZPI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846688 856946530 /nfs/dbraw/zinc/94/65/30/856946530.db2.gz RFFXCWQKVGQTAO-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846688 856946537 /nfs/dbraw/zinc/94/65/37/856946537.db2.gz RFFXCWQKVGQTAO-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223846688 856946543 /nfs/dbraw/zinc/94/65/43/856946543.db2.gz RFFXCWQKVGQTAO-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912318 856951162 /nfs/dbraw/zinc/95/11/62/856951162.db2.gz QVPZYFZXANTQHW-SJORKVTESA-N 2 1 351.491 0.668 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223978335 856954467 /nfs/dbraw/zinc/95/44/67/856954467.db2.gz XEMISXOWHDHBAH-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223978335 856954474 /nfs/dbraw/zinc/95/44/74/856954474.db2.gz XEMISXOWHDHBAH-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223978335 856954479 /nfs/dbraw/zinc/95/44/79/856954479.db2.gz XEMISXOWHDHBAH-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001225346063 857035960 /nfs/dbraw/zinc/03/59/60/857035960.db2.gz IDAYLCKIOYJKBN-OAGGEKHMSA-N 2 1 371.547 0.922 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001226322838 857097733 /nfs/dbraw/zinc/09/77/33/857097733.db2.gz BAVJLRGQLGCHJV-MWQQHZPXSA-N 2 1 350.507 0.964 20 0 FCADMP CCN(C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001227444314 857160517 /nfs/dbraw/zinc/16/05/17/857160517.db2.gz PVXPGSDAFFXJJO-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001227525094 857163662 /nfs/dbraw/zinc/16/36/62/857163662.db2.gz NHAVWSQLZRWOPA-HUUCEWRRSA-N 2 1 356.492 0.643 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142678 857252855 /nfs/dbraw/zinc/25/28/55/857252855.db2.gz YKRJJXBKJFCBFA-HZPDHXFCSA-N 2 1 350.467 0.054 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001229503880 857272809 /nfs/dbraw/zinc/27/28/09/857272809.db2.gz OFMNVMAJUYXYDD-ZIAGYGMSSA-N 2 1 352.483 0.994 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001229503880 857272816 /nfs/dbraw/zinc/27/28/16/857272816.db2.gz OFMNVMAJUYXYDD-ZIAGYGMSSA-N 2 1 352.483 0.994 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001230147912 857308114 /nfs/dbraw/zinc/30/81/14/857308114.db2.gz WONMCKZYBHVQGR-NUEKZKHPSA-N 2 1 370.519 0.889 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284648 857322687 /nfs/dbraw/zinc/32/26/87/857322687.db2.gz PAUUFQPFOYOGHL-HUUCEWRRSA-N 2 1 351.499 0.940 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284648 857322698 /nfs/dbraw/zinc/32/26/98/857322698.db2.gz PAUUFQPFOYOGHL-HUUCEWRRSA-N 2 1 351.499 0.940 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236058615 857436933 /nfs/dbraw/zinc/43/69/33/857436933.db2.gz RDIAJAUTYNSYAT-KRWDZBQOSA-N 2 1 350.438 0.524 20 0 FCADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1[nH]nc2ccc(Cl)cc21 ZINC001236308289 857437901 /nfs/dbraw/zinc/43/79/01/857437901.db2.gz IOVRWGUSXRYXEH-UHFFFAOYSA-N 2 1 352.870 0.832 20 0 FCADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1n[nH]c2cc(Cl)ccc21 ZINC001236310778 857438803 /nfs/dbraw/zinc/43/88/03/857438803.db2.gz AXMFGITUPMABFA-UHFFFAOYSA-N 2 1 352.870 0.832 20 0 FCADMP CC1(C)N[C@@H](CC[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CO1 ZINC001236398191 857441019 /nfs/dbraw/zinc/44/10/19/857441019.db2.gz DCNLRTYGOMOHCZ-SFHVURJKSA-N 2 1 354.539 0.735 20 0 FCADMP CC1(C)[NH2+][C@@H](CC[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CO1 ZINC001236398191 857441022 /nfs/dbraw/zinc/44/10/22/857441022.db2.gz DCNLRTYGOMOHCZ-SFHVURJKSA-N 3 1 354.539 0.735 20 0 FCADMP CC1(C)[NH2+][C@@H](CC[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CO1 ZINC001236398191 857441030 /nfs/dbraw/zinc/44/10/30/857441030.db2.gz DCNLRTYGOMOHCZ-SFHVURJKSA-N 3 1 354.539 0.735 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001239081975 857509351 /nfs/dbraw/zinc/50/93/51/857509351.db2.gz OBRCCPNQBNAVLX-UHFFFAOYSA-N 2 1 353.488 0.642 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001239081975 857509354 /nfs/dbraw/zinc/50/93/54/857509354.db2.gz OBRCCPNQBNAVLX-UHFFFAOYSA-N 2 1 353.488 0.642 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001245979037 857562006 /nfs/dbraw/zinc/56/20/06/857562006.db2.gz SAILABXWTRHBJQ-XDNAFOTISA-N 2 1 355.429 0.696 20 0 FCADMP O[C@H](CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)COCC(F)(F)C(F)F ZINC001245983527 857563083 /nfs/dbraw/zinc/56/30/83/857563083.db2.gz GUXHDMBNNKBVAP-VXGBXAGGSA-N 2 1 357.392 0.728 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)O3)C[C@H](C1)N2 ZINC001246136563 857569392 /nfs/dbraw/zinc/56/93/92/857569392.db2.gz SCSKQOZEWPRHBP-GADNRMJZSA-N 2 1 351.491 0.949 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCCC[S@](C)=O)CC1 ZINC001246398065 857576348 /nfs/dbraw/zinc/57/63/48/857576348.db2.gz JHGMACKEFHUXQU-QHCPKHFHSA-N 2 1 355.533 0.888 20 0 FCADMP O=C([C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677661 857589660 /nfs/dbraw/zinc/58/96/60/857589660.db2.gz KTYQMESBNWROBN-QZWWFDLISA-N 2 1 352.548 0.961 20 0 FCADMP O=C([C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246677661 857589664 /nfs/dbraw/zinc/58/96/64/857589664.db2.gz KTYQMESBNWROBN-QZWWFDLISA-N 2 1 352.548 0.961 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693049 857590428 /nfs/dbraw/zinc/59/04/28/857590428.db2.gz JDGCLOPVPPJGFO-IXDOHACOSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693049 857590433 /nfs/dbraw/zinc/59/04/33/857590433.db2.gz JDGCLOPVPPJGFO-IXDOHACOSA-N 2 1 351.491 0.714 20 0 FCADMP CC(C)CN1C[C@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246692694 857590459 /nfs/dbraw/zinc/59/04/59/857590459.db2.gz IAWQWZBHOGQRTP-BRWVUGGUSA-N 2 1 370.563 0.462 20 0 FCADMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699260 857591872 /nfs/dbraw/zinc/59/18/72/857591872.db2.gz ZLQOJQFDTQPBBU-MSOLQXFVSA-N 2 1 352.523 0.141 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246711238 857594178 /nfs/dbraw/zinc/59/41/78/857594178.db2.gz SMLZPDRQWLLRDE-SUTQANCOSA-N 2 1 350.507 0.430 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736792 857595182 /nfs/dbraw/zinc/59/51/82/857595182.db2.gz BLIFIHISFLFFCO-DZVNLGKHSA-N 2 1 351.491 0.570 20 0 FCADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246860199 857604610 /nfs/dbraw/zinc/60/46/10/857604610.db2.gz UIRCVXNOMFDWQC-WPECMILSSA-N 2 1 351.491 0.964 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCN[C@@H](C(F)(F)F)C3)C[C@H]1C2 ZINC001246859610 857604641 /nfs/dbraw/zinc/60/46/41/857604641.db2.gz PVGVHULFGOCEGZ-YKWBPFFISA-N 2 1 361.408 1.000 20 0 FCADMP CCOC(=O)N1CCC[C@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924717 857605303 /nfs/dbraw/zinc/60/53/03/857605303.db2.gz JEWXTLOXHPTGGD-HNNXBMFYSA-N 3 1 357.499 0.113 20 0 FCADMP CCOC(=O)N1CCC[C@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924717 857605310 /nfs/dbraw/zinc/60/53/10/857605310.db2.gz JEWXTLOXHPTGGD-HNNXBMFYSA-N 3 1 357.499 0.113 20 0 FCADMP COC(=O)[C@@]1(NC(=S)NCC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001249845708 857653257 /nfs/dbraw/zinc/65/32/57/857653257.db2.gz HIVILDJLSIDCOA-GOSISDBHSA-N 2 1 364.515 0.830 20 0 FCADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252058574 857781919 /nfs/dbraw/zinc/78/19/19/857781919.db2.gz DPVNOTVQZDANQG-ROUUACIJSA-N 2 1 356.507 0.569 20 0 FCADMP CC(C)OC[C@@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252676310 857830943 /nfs/dbraw/zinc/83/09/43/857830943.db2.gz FIKHPUZJKPXPLQ-INIZCTEOSA-N 2 1 354.495 0.953 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209379 857873181 /nfs/dbraw/zinc/87/31/81/857873181.db2.gz BDUOTYRDZOPLTI-KBPBESRZSA-N 2 1 361.483 0.735 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001253388869 857885444 /nfs/dbraw/zinc/88/54/44/857885444.db2.gz PKSODWDTASFXFD-LHHMISFZSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001253388869 857885446 /nfs/dbraw/zinc/88/54/46/857885446.db2.gz PKSODWDTASFXFD-LHHMISFZSA-N 2 1 353.507 0.837 20 0 FCADMP COC(=O)[C@H](CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)NC(=O)OC(C)(C)C ZINC001253408645 857887019 /nfs/dbraw/zinc/88/70/19/857887019.db2.gz GWSBCVCPMDZMBP-STQMWFEESA-N 2 1 361.483 0.781 20 0 FCADMP COC(=O)[C@@H](CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)NC(=O)OC(C)(C)C ZINC001253408641 857887177 /nfs/dbraw/zinc/88/71/77/857887177.db2.gz GWSBCVCPMDZMBP-QWHCGFSZSA-N 2 1 361.483 0.781 20 0 FCADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001254513353 857975564 /nfs/dbraw/zinc/97/55/64/857975564.db2.gz XAZGOSWBDUUNDU-INIZCTEOSA-N 2 1 352.504 0.890 20 0 FCADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001254513353 857975568 /nfs/dbraw/zinc/97/55/68/857975568.db2.gz XAZGOSWBDUUNDU-INIZCTEOSA-N 2 1 352.504 0.890 20 0 FCADMP C[N@H+]1CCC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001254517224 857976337 /nfs/dbraw/zinc/97/63/37/857976337.db2.gz GDTYFJFDBYXAFF-AWEZNQCLSA-N 2 1 355.508 0.275 20 0 FCADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001279617006 862982411 /nfs/dbraw/zinc/98/24/11/862982411.db2.gz UMSHNZWSEDGHGL-UHFFFAOYSA-N 2 1 372.579 0.617 20 0 FCADMP C[NH+]1CCC([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001256203557 858057505 /nfs/dbraw/zinc/05/75/05/858057505.db2.gz JKDLKXSMXUDBDI-KRWDZBQOSA-N 2 1 351.491 0.668 20 0 FCADMP C[NH+]1CCC([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001256203557 858057511 /nfs/dbraw/zinc/05/75/11/858057511.db2.gz JKDLKXSMXUDBDI-KRWDZBQOSA-N 2 1 351.491 0.668 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001256792907 858098898 /nfs/dbraw/zinc/09/88/98/858098898.db2.gz VMHUYUKUQBAVOH-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CC[N@H+]3CCN2CCOCC2)CC1 ZINC001279772771 863055429 /nfs/dbraw/zinc/05/54/29/863055429.db2.gz RVSZQIYKUKSXEM-APWZRJJASA-N 2 1 350.507 0.336 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CCn3cnc(Br)n3)nn2)CC1 ZINC001262026934 858761216 /nfs/dbraw/zinc/76/12/16/858761216.db2.gz LDYKLGFWYJVGAO-UHFFFAOYSA-N 2 1 369.271 0.298 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001264421322 859352705 /nfs/dbraw/zinc/35/27/05/859352705.db2.gz CRVXAYQURICXTR-FDYHWXHSSA-N 2 1 364.412 0.490 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001264650189 859414319 /nfs/dbraw/zinc/41/43/19/859414319.db2.gz IGGYMXZBBXJONL-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP COCCOC[N@@H+]1CCC[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992531 859624003 /nfs/dbraw/zinc/62/40/03/859624003.db2.gz OKEKXSYQTWDNDL-KRWDZBQOSA-N 2 1 355.483 0.137 20 0 FCADMP COCCOC[N@H+]1CCC[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992531 859624010 /nfs/dbraw/zinc/62/40/10/859624010.db2.gz OKEKXSYQTWDNDL-KRWDZBQOSA-N 2 1 355.483 0.137 20 0 FCADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H](C1)O2 ZINC001269991930 859624403 /nfs/dbraw/zinc/62/44/03/859624403.db2.gz CSHZEFZATHAXOI-OAGGEKHMSA-N 2 1 353.511 0.940 20 0 FCADMP CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001270175895 859677484 /nfs/dbraw/zinc/67/74/84/859677484.db2.gz NXVBHHXRIMAWRC-KRWDZBQOSA-N 2 1 355.523 0.634 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489660 859770261 /nfs/dbraw/zinc/77/02/61/859770261.db2.gz IDHCUFDNLBAODA-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001272868395 860286791 /nfs/dbraw/zinc/28/67/91/860286791.db2.gz RTWBHHUPRNONRC-JKSUJKDBSA-N 2 1 363.531 0.732 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001272868395 860286799 /nfs/dbraw/zinc/28/67/99/860286799.db2.gz RTWBHHUPRNONRC-JKSUJKDBSA-N 2 1 363.531 0.732 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273254031 860428543 /nfs/dbraw/zinc/42/85/43/860428543.db2.gz HNZFJALXENGVQU-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001273254031 860428546 /nfs/dbraw/zinc/42/85/46/860428546.db2.gz HNZFJALXENGVQU-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001273310386 860446505 /nfs/dbraw/zinc/44/65/05/860446505.db2.gz IGIZVECHQVGWCT-LJQANCHMSA-N 2 1 350.507 0.908 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500599 860509902 /nfs/dbraw/zinc/50/99/02/860509902.db2.gz BVQIOOVWNYVKRO-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001273504608 860511812 /nfs/dbraw/zinc/51/18/12/860511812.db2.gz YEUXGRSUSOBXCX-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274178935 860699803 /nfs/dbraw/zinc/69/98/03/860699803.db2.gz JXNLYVXMQZBAJL-MRXNPFEDSA-N 2 1 350.507 0.907 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274399924 860742965 /nfs/dbraw/zinc/74/29/65/860742965.db2.gz KHKMJCOXBUFRSM-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274399924 860742974 /nfs/dbraw/zinc/74/29/74/860742974.db2.gz KHKMJCOXBUFRSM-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274399924 860742977 /nfs/dbraw/zinc/74/29/77/860742977.db2.gz KHKMJCOXBUFRSM-QFBILLFUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001274719945 860804067 /nfs/dbraw/zinc/80/40/67/860804067.db2.gz KXMCZEGZFXHRLP-RWMBFGLXSA-N 2 1 368.507 0.691 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCN3C)[C@@H]2C1 ZINC001275172425 860977376 /nfs/dbraw/zinc/97/73/76/860977376.db2.gz WOFWYCGZLPRWHQ-ARFHVFGLSA-N 2 1 363.531 0.730 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172425 860977390 /nfs/dbraw/zinc/97/73/90/860977390.db2.gz WOFWYCGZLPRWHQ-ARFHVFGLSA-N 2 1 363.531 0.730 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172425 860977404 /nfs/dbraw/zinc/97/74/04/860977404.db2.gz WOFWYCGZLPRWHQ-ARFHVFGLSA-N 2 1 363.531 0.730 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)[C@@H]2C1 ZINC001275172428 860977856 /nfs/dbraw/zinc/97/78/56/860977856.db2.gz WOFWYCGZLPRWHQ-XHSDSOJGSA-N 2 1 363.531 0.730 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172428 860977871 /nfs/dbraw/zinc/97/78/71/860977871.db2.gz WOFWYCGZLPRWHQ-XHSDSOJGSA-N 2 1 363.531 0.730 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172428 860977880 /nfs/dbraw/zinc/97/78/80/860977880.db2.gz WOFWYCGZLPRWHQ-XHSDSOJGSA-N 2 1 363.531 0.730 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001275226550 860993585 /nfs/dbraw/zinc/99/35/85/860993585.db2.gz QCGRWFCBDXQTMH-JTDSTZFVSA-N 2 1 350.507 0.729 20 0 FCADMP COCCOCN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508437 861115212 /nfs/dbraw/zinc/11/52/12/861115212.db2.gz SUFCHTNTSWTQDP-GOSISDBHSA-N 2 1 357.495 0.498 20 0 FCADMP COCCOCN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508437 861115217 /nfs/dbraw/zinc/11/52/17/861115217.db2.gz SUFCHTNTSWTQDP-GOSISDBHSA-N 2 1 357.495 0.498 20 0 FCADMP CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556644 861127851 /nfs/dbraw/zinc/12/78/51/861127851.db2.gz NGUKEXAZVYGUCQ-DNVCBOLYSA-N 2 1 351.491 0.857 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557261 861129664 /nfs/dbraw/zinc/12/96/64/861129664.db2.gz WNNHPTUWAYPJSP-GOSISDBHSA-N 2 1 371.547 0.687 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3c(N)ncnc3Cl)C2)C1=O ZINC001275578892 861133875 /nfs/dbraw/zinc/13/38/75/861133875.db2.gz LDZHATAJWDTEIT-INIZCTEOSA-N 2 1 352.870 0.698 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3c(N)ncnc3Cl)C2)C1=O ZINC001275578892 861133891 /nfs/dbraw/zinc/13/38/91/861133891.db2.gz LDZHATAJWDTEIT-INIZCTEOSA-N 2 1 352.870 0.698 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737537 861179879 /nfs/dbraw/zinc/17/98/79/861179879.db2.gz LFDWIXFPKBPMTA-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CCS(=O)(=O)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737888 861181862 /nfs/dbraw/zinc/18/18/62/861181862.db2.gz QPVPCDJKXVKWOE-GOSISDBHSA-N 2 1 371.547 0.878 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275742991 861185158 /nfs/dbraw/zinc/18/51/58/861185158.db2.gz KCWWBLHXLOPJET-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914410 863133811 /nfs/dbraw/zinc/13/38/11/863133811.db2.gz QRLQLTRZKIEMIG-APWZRJJASA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)CC1 ZINC001280125135 863276957 /nfs/dbraw/zinc/27/69/57/863276957.db2.gz FCDKQGOMXUPTAP-BJWYYQGGSA-N 2 1 371.547 0.447 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@@H]2C1 ZINC001280277970 863373873 /nfs/dbraw/zinc/37/38/73/863373873.db2.gz JAHSKXBMHUTQEW-HUUCEWRRSA-N 2 1 354.470 0.337 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001281847595 863817527 /nfs/dbraw/zinc/81/75/27/863817527.db2.gz HGKPQECQHBBELO-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001281977775 864015721 /nfs/dbraw/zinc/01/57/21/864015721.db2.gz OWDCBLXHJBSTPT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001281977775 864015737 /nfs/dbraw/zinc/01/57/37/864015737.db2.gz OWDCBLXHJBSTPT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001281977775 864015746 /nfs/dbraw/zinc/01/57/46/864015746.db2.gz OWDCBLXHJBSTPT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H](O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CC(F)(F)F ZINC001307569191 866665396 /nfs/dbraw/zinc/66/53/96/866665396.db2.gz PXUHAUNOQAFYJF-CABCVRRESA-N 2 1 352.445 0.553 20 0 FCADMP CN(C[C@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CC(F)(F)F ZINC001307569191 866665400 /nfs/dbraw/zinc/66/54/00/866665400.db2.gz PXUHAUNOQAFYJF-CABCVRRESA-N 2 1 352.445 0.553 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(C(C)C)CCO3)n2C)CC1 ZINC001351240221 866819810 /nfs/dbraw/zinc/81/98/10/866819810.db2.gz DALUEHBRWFTXDF-OAHLLOKOSA-N 2 1 352.483 0.365 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCC2(C1)OCCO2 ZINC001351419784 866854770 /nfs/dbraw/zinc/85/47/70/866854770.db2.gz DWVDKFIFEWWDPZ-CVEARBPZSA-N 2 1 352.479 0.703 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001311891425 867127683 /nfs/dbraw/zinc/12/76/83/867127683.db2.gz MAUGMLDYGQWOMM-HNNXBMFYSA-N 2 1 360.524 0.231 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001353149411 867361336 /nfs/dbraw/zinc/36/13/36/867361336.db2.gz MDCADLIJXLJGND-ZHALLVOQSA-N 2 1 350.507 0.289 20 0 FCADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001353149370 867361423 /nfs/dbraw/zinc/36/14/23/867361423.db2.gz LRJQDNCUOQSKPL-FGTMMUONSA-N 2 1 352.523 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001353507476 867439042 /nfs/dbraw/zinc/43/90/42/867439042.db2.gz NHWFAWQSKDLKNJ-ZACQAIPSSA-N 2 1 353.511 0.162 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001353507499 867439349 /nfs/dbraw/zinc/43/93/49/867439349.db2.gz NWVUWSIBTDXDNA-SJORKVTESA-N 2 1 353.511 0.306 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001316754907 867453157 /nfs/dbraw/zinc/45/31/57/867453157.db2.gz APMNLTITWWOICA-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001318652792 867717822 /nfs/dbraw/zinc/71/78/22/867717822.db2.gz PQUNDFWMJZYFNO-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[NH+]3C)CCCC2)CC[N@H+]1C ZINC001356941358 868063266 /nfs/dbraw/zinc/06/32/66/868063266.db2.gz VPSCYHDDMMAHBK-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)CC[NH+]1C ZINC001356941358 868063279 /nfs/dbraw/zinc/06/32/79/868063279.db2.gz VPSCYHDDMMAHBK-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)CC[NH+]1C ZINC001356941358 868063292 /nfs/dbraw/zinc/06/32/92/868063292.db2.gz VPSCYHDDMMAHBK-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320064257 868073581 /nfs/dbraw/zinc/07/35/81/868073581.db2.gz PUQUHZWKIPUMGH-KRWDZBQOSA-N 2 1 353.507 0.937 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001321371769 868448596 /nfs/dbraw/zinc/44/85/96/868448596.db2.gz RHRCLPXARBNRGT-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC001326819194 870513611 /nfs/dbraw/zinc/51/36/11/870513611.db2.gz KDAUEODXCLDVEH-DOTOQJQBSA-N 2 1 359.536 0.196 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001327619559 870974803 /nfs/dbraw/zinc/97/48/03/870974803.db2.gz PXJQDCIMONKAIL-OAHLLOKOSA-N 2 1 351.495 0.452 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC001327840436 871107203 /nfs/dbraw/zinc/10/72/03/871107203.db2.gz PQXCQWUJBXMBAR-UHFFFAOYSA-N 2 1 354.495 0.286 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@@H](C)C1 ZINC001346550430 871896442 /nfs/dbraw/zinc/89/64/42/871896442.db2.gz YDELCSFFIPPECJ-JYJNAYRXSA-N 2 1 354.495 0.242 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC(C)C)C[C@H]1C ZINC001347438699 872334086 /nfs/dbraw/zinc/33/40/86/872334086.db2.gz PANDKHBAMOUWNE-KGLIPLIRSA-N 2 1 350.467 0.950 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001347555029 872389843 /nfs/dbraw/zinc/38/98/43/872389843.db2.gz YFHDFZLCABULKL-AWEZNQCLSA-N 2 1 350.463 0.872 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001348852468 872813340 /nfs/dbraw/zinc/81/33/40/872813340.db2.gz MOKBYNJTHIBVCW-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453747 873111092 /nfs/dbraw/zinc/11/10/92/873111092.db2.gz PLPPGTQPIFSWMQ-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331906714 873299933 /nfs/dbraw/zinc/29/99/33/873299933.db2.gz VYQWBCUXIHNWHW-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963637 873316251 /nfs/dbraw/zinc/31/62/51/873316251.db2.gz IFULMJRULWBULB-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963637 873316266 /nfs/dbraw/zinc/31/62/66/873316266.db2.gz IFULMJRULWBULB-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[NH2+]C[C@@H]1C(F)F ZINC001332977244 873743329 /nfs/dbraw/zinc/74/33/29/873743329.db2.gz YKQSWBARTJBUNY-SECBINFHSA-N 2 1 364.347 0.819 20 0 FCADMP CC(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823994551 946535522 /nfs/dbraw/zinc/53/55/22/946535522.db2.gz LHBQGAAEXCWXDX-UHFFFAOYSA-N 2 1 357.462 0.947 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263746 949406772 /nfs/dbraw/zinc/40/67/72/949406772.db2.gz JEPGRKLZQVGFRY-DYVFJYSZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574955853 949572253 /nfs/dbraw/zinc/57/22/53/949572253.db2.gz GAXXRULCKHOZMQ-XJKCOSOUSA-N 2 1 357.462 0.801 20 0 FCADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574158032 950268489 /nfs/dbraw/zinc/26/84/89/950268489.db2.gz NBZDSFXAUWZJRG-ZIAGYGMSSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203692 950451368 /nfs/dbraw/zinc/45/13/68/950451368.db2.gz IMQWERSEVMWCFF-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576204131 950460213 /nfs/dbraw/zinc/46/02/13/950460213.db2.gz MSJWGQCJSJHIDU-IHRRRGAJSA-N 2 1 368.445 0.393 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576204131 950460225 /nfs/dbraw/zinc/46/02/25/950460225.db2.gz MSJWGQCJSJHIDU-IHRRRGAJSA-N 2 1 368.445 0.393 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576204998 950489043 /nfs/dbraw/zinc/48/90/43/950489043.db2.gz FNHQLHORXIEXEQ-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576205477 950519226 /nfs/dbraw/zinc/51/92/26/950519226.db2.gz YZZFCAGBNOAOSZ-OLZOCXBDSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206258 950567669 /nfs/dbraw/zinc/56/76/69/950567669.db2.gz VVEZZJRWZHVHHS-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576206610 950577128 /nfs/dbraw/zinc/57/71/28/950577128.db2.gz YGBRYVJNIZESDC-CQSZACIVSA-N 2 1 369.473 0.947 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208704 950615476 /nfs/dbraw/zinc/61/54/76/950615476.db2.gz TZKCEKGVDRUELL-MCIONIFRSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576209234 950625796 /nfs/dbraw/zinc/62/57/96/950625796.db2.gz ZSPAFPUMPKBQOL-KBPBESRZSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004642 951151443 /nfs/dbraw/zinc/15/14/43/951151443.db2.gz OXRDIZYOSYRSMV-DGCLKSJQSA-N 2 1 361.475 0.713 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575099588 951836605 /nfs/dbraw/zinc/83/66/05/951836605.db2.gz NLNRGDOTBUCDOB-AAEUAGOBSA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575100152 951841800 /nfs/dbraw/zinc/84/18/00/951841800.db2.gz RCEKUSSIFOVIME-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107044 951911736 /nfs/dbraw/zinc/91/17/36/951911736.db2.gz XXQCEQHLGYLUNM-CJNGLKHVSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113962 951951368 /nfs/dbraw/zinc/95/13/68/951951368.db2.gz JELWIVYTQCTURW-CJNGLKHVSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113962 951951377 /nfs/dbraw/zinc/95/13/77/951951377.db2.gz JELWIVYTQCTURW-CJNGLKHVSA-N 2 1 373.461 0.039 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063194 951963771 /nfs/dbraw/zinc/96/37/71/951963771.db2.gz JSYOOBJCKFHQQQ-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063196 951964076 /nfs/dbraw/zinc/96/40/76/951964076.db2.gz JSYOOBJCKFHQQQ-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065051 951983310 /nfs/dbraw/zinc/98/33/10/951983310.db2.gz YYQHUNSAFKIQEK-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065051 951983316 /nfs/dbraw/zinc/98/33/16/951983316.db2.gz YYQHUNSAFKIQEK-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571065051 951983323 /nfs/dbraw/zinc/98/33/23/951983323.db2.gz YYQHUNSAFKIQEK-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105102 952386881 /nfs/dbraw/zinc/38/68/81/952386881.db2.gz HQXREFNTBOOPQQ-HOCLYGCPSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105216 952391094 /nfs/dbraw/zinc/39/10/94/952391094.db2.gz KEABLVIRZITION-BBRMVZONSA-N 2 1 373.436 0.791 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000294110242 214224835 /nfs/dbraw/zinc/22/48/35/214224835.db2.gz OFPUYDRJBMTCLR-UHFFFAOYSA-N 2 1 372.473 0.723 20 0 FCADMP C[NH+](CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)C2CC2)cn1)C1CC1 ZINC000291550894 214041821 /nfs/dbraw/zinc/04/18/21/214041821.db2.gz QECMNOFCPXGJKV-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+](CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)C2CC2)nc1)C1CC1 ZINC000291550894 214041825 /nfs/dbraw/zinc/04/18/25/214041825.db2.gz QECMNOFCPXGJKV-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+](CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CC2)nc1)C1CC1 ZINC000291550894 214041827 /nfs/dbraw/zinc/04/18/27/214041827.db2.gz QECMNOFCPXGJKV-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCC(O)CC1 ZINC000297014042 214375423 /nfs/dbraw/zinc/37/54/23/214375423.db2.gz REHFQLQJKOXAND-IBGZPJMESA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCC(O)CC1 ZINC000297014042 214375428 /nfs/dbraw/zinc/37/54/28/214375428.db2.gz REHFQLQJKOXAND-IBGZPJMESA-N 2 1 361.486 0.850 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@H]2C1 ZINC000410983666 529807103 /nfs/dbraw/zinc/80/71/03/529807103.db2.gz QBTXLZLHKQSMQG-ROUUACIJSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472842 529860991 /nfs/dbraw/zinc/86/09/91/529860991.db2.gz SFUJYQUVFUXRQF-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410557885 529886253 /nfs/dbraw/zinc/88/62/53/529886253.db2.gz OZVHWURLDQMRPL-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000930652231 674046747 /nfs/dbraw/zinc/04/67/47/674046747.db2.gz INLGULCYIHOXLH-WBVHZDCISA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000930652231 674046751 /nfs/dbraw/zinc/04/67/51/674046751.db2.gz INLGULCYIHOXLH-WBVHZDCISA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000930652231 674046755 /nfs/dbraw/zinc/04/67/55/674046755.db2.gz INLGULCYIHOXLH-WBVHZDCISA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000930652231 674046759 /nfs/dbraw/zinc/04/67/59/674046759.db2.gz INLGULCYIHOXLH-WBVHZDCISA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331502402 215006260 /nfs/dbraw/zinc/00/62/60/215006260.db2.gz QZZVBPDJKZDSDB-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564674 215015447 /nfs/dbraw/zinc/01/54/47/215015447.db2.gz KVSRSRYLTYFSCP-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564674 215015448 /nfs/dbraw/zinc/01/54/48/215015448.db2.gz KVSRSRYLTYFSCP-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331572060 215017739 /nfs/dbraw/zinc/01/77/39/215017739.db2.gz LQFOVSTVXSTWNJ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000331590616 215019441 /nfs/dbraw/zinc/01/94/41/215019441.db2.gz YGWYELDJCOSBNB-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331590616 215019444 /nfs/dbraw/zinc/01/94/44/215019444.db2.gz YGWYELDJCOSBNB-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331590616 215019447 /nfs/dbraw/zinc/01/94/47/215019447.db2.gz YGWYELDJCOSBNB-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000331669848 215031378 /nfs/dbraw/zinc/03/13/78/215031378.db2.gz ZOORYXATQYXBSL-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000331669848 215031382 /nfs/dbraw/zinc/03/13/82/215031382.db2.gz ZOORYXATQYXBSL-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000331669848 215031386 /nfs/dbraw/zinc/03/13/86/215031386.db2.gz ZOORYXATQYXBSL-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000331669848 215031387 /nfs/dbraw/zinc/03/13/87/215031387.db2.gz ZOORYXATQYXBSL-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000331809191 215049828 /nfs/dbraw/zinc/04/98/28/215049828.db2.gz NQDOCMDKTYNLLK-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000331796487 215047146 /nfs/dbraw/zinc/04/71/46/215047146.db2.gz LILHLCJLEOAHEG-IXDOHACOSA-N 2 1 366.506 0.286 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000264991055 210033566 /nfs/dbraw/zinc/03/35/66/210033566.db2.gz BPMVBDQEZSDYSI-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000332410625 215146675 /nfs/dbraw/zinc/14/66/75/215146675.db2.gz QXOOGAHMOOXEOR-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332416135 215148102 /nfs/dbraw/zinc/14/81/02/215148102.db2.gz UNZOEPOAZGDVLR-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332416135 215148105 /nfs/dbraw/zinc/14/81/05/215148105.db2.gz UNZOEPOAZGDVLR-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)[N@@H+](C)C1 ZINC000332424880 215149866 /nfs/dbraw/zinc/14/98/66/215149866.db2.gz SYHQBWJBBKQDTN-IRXDYDNUSA-N 2 1 361.490 0.511 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000332513713 215164153 /nfs/dbraw/zinc/16/41/53/215164153.db2.gz LFMUFCCAUZKCOF-IRXDYDNUSA-N 2 1 366.506 0.284 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000332525813 215168946 /nfs/dbraw/zinc/16/89/46/215168946.db2.gz NAYSCTRFTRHYNW-IAGOWNOFSA-N 2 1 365.522 0.700 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H]1C ZINC000332629130 215193605 /nfs/dbraw/zinc/19/36/05/215193605.db2.gz DGRDSNAZEOONST-MXSMSXNCSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H]1C ZINC000332629130 215193608 /nfs/dbraw/zinc/19/36/08/215193608.db2.gz DGRDSNAZEOONST-MXSMSXNCSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333131723 215240146 /nfs/dbraw/zinc/24/01/46/215240146.db2.gz BUJCQJDALDBQBB-SQNIBIBYSA-N 2 1 372.517 0.843 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333300820 215261334 /nfs/dbraw/zinc/26/13/34/215261334.db2.gz IVLJLJJCXNISNC-YLJYHZDGSA-N 2 1 372.517 0.987 20 0 FCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406869 215276501 /nfs/dbraw/zinc/27/65/01/215276501.db2.gz ZICGCLIMXDCUBJ-JKSUJKDBSA-N 2 1 359.478 0.977 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501141 215289820 /nfs/dbraw/zinc/28/98/20/215289820.db2.gz FLFOUBPFLITMLL-MCIONIFRSA-N 2 1 363.428 0.701 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333669709 215308214 /nfs/dbraw/zinc/30/82/14/215308214.db2.gz MWQRDVKGKASGDA-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000333686005 215309693 /nfs/dbraw/zinc/30/96/93/215309693.db2.gz PGMYPCRIQYIAAV-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP COCC1(CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000333758530 215316681 /nfs/dbraw/zinc/31/66/81/215316681.db2.gz AETXSIUCFHEEHD-HZPDHXFCSA-N 2 1 354.495 0.365 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000333790300 215318425 /nfs/dbraw/zinc/31/84/25/215318425.db2.gz GBLPYGXEGOXFSX-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333809896 215320678 /nfs/dbraw/zinc/32/06/78/215320678.db2.gz JBJHETUIAYEXCA-HNNXBMFYSA-N 2 1 351.495 0.596 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCCC1 ZINC000333816662 215321097 /nfs/dbraw/zinc/32/10/97/215321097.db2.gz KEPYNNYFYMEATR-JKSUJKDBSA-N 2 1 351.495 0.500 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333824295 215322897 /nfs/dbraw/zinc/32/28/97/215322897.db2.gz LIPFAKGKNYZZKN-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333824295 215322899 /nfs/dbraw/zinc/32/28/99/215322899.db2.gz LIPFAKGKNYZZKN-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855638 215325382 /nfs/dbraw/zinc/32/53/82/215325382.db2.gz QVWONLPGBIOODP-SJORKVTESA-N 2 1 365.522 0.842 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000333907219 215329420 /nfs/dbraw/zinc/32/94/20/215329420.db2.gz VQAKNAWZUNNSAV-IRXDYDNUSA-N 2 1 366.506 0.746 20 0 FCADMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907219 215329423 /nfs/dbraw/zinc/32/94/23/215329423.db2.gz VQAKNAWZUNNSAV-IRXDYDNUSA-N 2 1 366.506 0.746 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907219 215329425 /nfs/dbraw/zinc/32/94/25/215329425.db2.gz VQAKNAWZUNNSAV-IRXDYDNUSA-N 2 1 366.506 0.746 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333912727 215330609 /nfs/dbraw/zinc/33/06/09/215330609.db2.gz XXXKIOLOUTYELY-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333912727 215330610 /nfs/dbraw/zinc/33/06/10/215330610.db2.gz XXXKIOLOUTYELY-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333938624 215333332 /nfs/dbraw/zinc/33/33/32/215333332.db2.gz MPOYLFOAERPGGD-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000333951129 215333593 /nfs/dbraw/zinc/33/35/93/215333593.db2.gz YQUVQIFEWZRZSN-SJORKVTESA-N 2 1 365.522 0.714 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360573849 215364934 /nfs/dbraw/zinc/36/49/34/215364934.db2.gz ULJQZWRYNDXJFS-LSDHHAIUSA-N 2 1 353.467 0.584 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000361106789 215380665 /nfs/dbraw/zinc/38/06/65/215380665.db2.gz OWGUWBATHZBYGU-KZNAEPCWSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000361106789 215380667 /nfs/dbraw/zinc/38/06/67/215380667.db2.gz OWGUWBATHZBYGU-KZNAEPCWSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000361106789 215380670 /nfs/dbraw/zinc/38/06/70/215380670.db2.gz OWGUWBATHZBYGU-KZNAEPCWSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000285261636 213313584 /nfs/dbraw/zinc/31/35/84/213313584.db2.gz ZQUWNKOEYKKOAY-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261636 213313586 /nfs/dbraw/zinc/31/35/86/213313586.db2.gz ZQUWNKOEYKKOAY-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261636 213313590 /nfs/dbraw/zinc/31/35/90/213313590.db2.gz ZQUWNKOEYKKOAY-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261643 213312974 /nfs/dbraw/zinc/31/29/74/213312974.db2.gz ZQUWNKOEYKKOAY-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261643 213312978 /nfs/dbraw/zinc/31/29/78/213312978.db2.gz ZQUWNKOEYKKOAY-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000285261643 213312969 /nfs/dbraw/zinc/31/29/69/213312969.db2.gz ZQUWNKOEYKKOAY-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000285076679 213277711 /nfs/dbraw/zinc/27/77/11/213277711.db2.gz POUBLADKWCSWBJ-UHFFFAOYSA-N 2 1 350.438 0.584 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCC[N@H+](C)C1CC1)Cc1ccc(F)cc1 ZINC000285076679 213277713 /nfs/dbraw/zinc/27/77/13/213277713.db2.gz POUBLADKWCSWBJ-UHFFFAOYSA-N 2 1 350.438 0.584 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1)Cc1ccc(F)cc1 ZINC000285076679 213277716 /nfs/dbraw/zinc/27/77/16/213277716.db2.gz POUBLADKWCSWBJ-UHFFFAOYSA-N 2 1 350.438 0.584 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989811 213261870 /nfs/dbraw/zinc/26/18/70/213261870.db2.gz SRYNCYPKVHNCKY-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000284850113 213235165 /nfs/dbraw/zinc/23/51/65/213235165.db2.gz NOTIHGRFDVKFKS-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284556578 213168091 /nfs/dbraw/zinc/16/80/91/213168091.db2.gz VKNJGAUMGBPTJI-CABCVRRESA-N 2 1 350.463 0.941 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000284466034 213146026 /nfs/dbraw/zinc/14/60/26/213146026.db2.gz GJYJYFSALUJBEZ-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000284466034 213146029 /nfs/dbraw/zinc/14/60/29/213146029.db2.gz GJYJYFSALUJBEZ-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466034 213146033 /nfs/dbraw/zinc/14/60/33/213146033.db2.gz GJYJYFSALUJBEZ-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466034 213146036 /nfs/dbraw/zinc/14/60/36/213146036.db2.gz GJYJYFSALUJBEZ-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284399119 213129649 /nfs/dbraw/zinc/12/96/49/213129649.db2.gz WHHXVMSPAUHIAS-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284399119 213129651 /nfs/dbraw/zinc/12/96/51/213129651.db2.gz WHHXVMSPAUHIAS-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000284392825 213129286 /nfs/dbraw/zinc/12/92/86/213129286.db2.gz SPWGBMAHGRIDSZ-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000284392825 213129289 /nfs/dbraw/zinc/12/92/89/213129289.db2.gz SPWGBMAHGRIDSZ-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284392825 213129292 /nfs/dbraw/zinc/12/92/92/213129292.db2.gz SPWGBMAHGRIDSZ-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284392825 213129295 /nfs/dbraw/zinc/12/92/95/213129295.db2.gz SPWGBMAHGRIDSZ-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284306798 213107693 /nfs/dbraw/zinc/10/76/93/213107693.db2.gz OXYCBYQMZZUIFR-AWEZNQCLSA-N 2 1 356.492 0.161 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284306798 213107698 /nfs/dbraw/zinc/10/76/98/213107698.db2.gz OXYCBYQMZZUIFR-AWEZNQCLSA-N 2 1 356.492 0.161 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182828 213092334 /nfs/dbraw/zinc/09/23/34/213092334.db2.gz RDFACZLULVNBLZ-KBXCAEBGSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000284124981 213079800 /nfs/dbraw/zinc/07/98/00/213079800.db2.gz RNCOALQBPRMBOR-KURKYZTESA-N 2 1 358.486 0.958 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000283832754 213015204 /nfs/dbraw/zinc/01/52/04/213015204.db2.gz BLPJYFRGGFUIRG-OWCLPIDISA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000283832754 213015207 /nfs/dbraw/zinc/01/52/07/213015207.db2.gz BLPJYFRGGFUIRG-OWCLPIDISA-N 2 1 362.474 0.941 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000413144267 237284415 /nfs/dbraw/zinc/28/44/15/237284415.db2.gz XPFPVHGOGGGFKI-DLBZAZTESA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000413144267 237284426 /nfs/dbraw/zinc/28/44/26/237284426.db2.gz XPFPVHGOGGGFKI-DLBZAZTESA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000366988050 216060036 /nfs/dbraw/zinc/06/00/36/216060036.db2.gz JYWQSGOMAYKJPD-UHFFFAOYSA-N 2 1 372.535 0.041 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cn2)CC1 ZINC000367472548 216127653 /nfs/dbraw/zinc/12/76/53/216127653.db2.gz OKRKIZDXKLZOKI-LJQANCHMSA-N 2 1 373.549 0.440 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000367472548 216127654 /nfs/dbraw/zinc/12/76/54/216127654.db2.gz OKRKIZDXKLZOKI-LJQANCHMSA-N 2 1 373.549 0.440 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)C1CC1 ZINC000246431161 209388125 /nfs/dbraw/zinc/38/81/25/209388125.db2.gz MUYDZHVZYSKZOX-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000246431161 209388131 /nfs/dbraw/zinc/38/81/31/209388131.db2.gz MUYDZHVZYSKZOX-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000246431161 209388133 /nfs/dbraw/zinc/38/81/33/209388133.db2.gz MUYDZHVZYSKZOX-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)N1CCOCC1 ZINC000245904818 209377615 /nfs/dbraw/zinc/37/76/15/209377615.db2.gz SWRBNDVHUHVADF-IKGGRYGDSA-N 2 1 356.511 0.440 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000238021214 209362364 /nfs/dbraw/zinc/36/23/64/209362364.db2.gz OPNZCBKTZJJLDU-INIZCTEOSA-N 2 1 360.458 0.573 20 0 FCADMP [NH3+]C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000238011985 209361846 /nfs/dbraw/zinc/36/18/46/209361846.db2.gz FTOIPFDKKUAKPW-GOSISDBHSA-N 2 1 358.486 0.886 20 0 FCADMP [NH3+]C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000238011985 209361848 /nfs/dbraw/zinc/36/18/48/209361848.db2.gz FTOIPFDKKUAKPW-GOSISDBHSA-N 2 1 358.486 0.886 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237895235 209359500 /nfs/dbraw/zinc/35/95/00/209359500.db2.gz KMCRSWCKFZVSMQ-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CC1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000368368477 216238979 /nfs/dbraw/zinc/23/89/79/216238979.db2.gz AVMCSMPLNRQNQG-QZTJIDSGSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1COCCN1CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192757271 209305687 /nfs/dbraw/zinc/30/56/87/209305687.db2.gz ASLIAZNIZPTZHU-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnns1 ZINC000192085662 209296356 /nfs/dbraw/zinc/29/63/56/209296356.db2.gz RIKVQRGXCQWTDT-LBPRGKRZSA-N 2 1 354.480 0.351 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192188381 209297463 /nfs/dbraw/zinc/29/74/63/209297463.db2.gz QFSCFEXSPPTSNZ-UHFFFAOYSA-N 2 1 369.554 0.624 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036871 216336430 /nfs/dbraw/zinc/33/64/30/216336430.db2.gz RTXRWNMEUNHEDJ-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1ccccc1CN1CCN(C(=O)CN(C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000190856347 209278352 /nfs/dbraw/zinc/27/83/52/209278352.db2.gz BGFCBJVDFLAIRV-ZWKOTPCHSA-N 2 1 363.502 0.703 20 0 FCADMP Cc1ccccc1CN1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000190856347 209278350 /nfs/dbraw/zinc/27/83/50/209278350.db2.gz BGFCBJVDFLAIRV-ZWKOTPCHSA-N 2 1 363.502 0.703 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395166 216393189 /nfs/dbraw/zinc/39/31/89/216393189.db2.gz LDASNEOEOPXSOX-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369395166 216393191 /nfs/dbraw/zinc/39/31/91/216393191.db2.gz LDASNEOEOPXSOX-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369395166 216393195 /nfs/dbraw/zinc/39/31/95/216393195.db2.gz LDASNEOEOPXSOX-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369401760 216396924 /nfs/dbraw/zinc/39/69/24/216396924.db2.gz NSCXIXVRIPQLCS-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189340430 209248417 /nfs/dbraw/zinc/24/84/17/209248417.db2.gz MQOYCELAUWBYJC-GGPKGHCWSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189340430 209248421 /nfs/dbraw/zinc/24/84/21/209248421.db2.gz MQOYCELAUWBYJC-GGPKGHCWSA-N 2 1 374.529 0.764 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)S(C)(=O)=O ZINC000931435073 674114962 /nfs/dbraw/zinc/11/49/62/674114962.db2.gz GDFDVVXNPVUKBG-JKSUJKDBSA-N 2 1 374.551 0.046 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)S(C)(=O)=O ZINC000931435073 674114966 /nfs/dbraw/zinc/11/49/66/674114966.db2.gz GDFDVVXNPVUKBG-JKSUJKDBSA-N 2 1 374.551 0.046 20 0 FCADMP CC(C)N(CCCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)S(C)(=O)=O ZINC000931435073 674114968 /nfs/dbraw/zinc/11/49/68/674114968.db2.gz GDFDVVXNPVUKBG-JKSUJKDBSA-N 2 1 374.551 0.046 20 0 FCADMP CC(C)N(CCCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)S(C)(=O)=O ZINC000931435073 674114972 /nfs/dbraw/zinc/11/49/72/674114972.db2.gz GDFDVVXNPVUKBG-JKSUJKDBSA-N 2 1 374.551 0.046 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000185689306 209179765 /nfs/dbraw/zinc/17/97/65/209179765.db2.gz WDDLAWOZKICYKG-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000185689306 209179768 /nfs/dbraw/zinc/17/97/68/209179768.db2.gz WDDLAWOZKICYKG-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275491518 212037015 /nfs/dbraw/zinc/03/70/15/212037015.db2.gz PPQMPDSIXYYASE-UHFFFAOYSA-N 2 1 364.490 0.814 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000414654648 245307485 /nfs/dbraw/zinc/30/74/85/245307485.db2.gz CJFBRHHEWSOVEB-INIZCTEOSA-N 2 1 362.474 0.818 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414683461 245312628 /nfs/dbraw/zinc/31/26/28/245312628.db2.gz TXJBFJGIIODDAP-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000415144982 245349099 /nfs/dbraw/zinc/34/90/99/245349099.db2.gz WFVIRYRUQQTMON-ZDUSSCGKSA-N 2 1 369.491 0.482 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000415144982 245349104 /nfs/dbraw/zinc/34/91/04/245349104.db2.gz WFVIRYRUQQTMON-ZDUSSCGKSA-N 2 1 369.491 0.482 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000415158890 245351680 /nfs/dbraw/zinc/35/16/80/245351680.db2.gz JALDHGYKKQJPKP-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000415158890 245351684 /nfs/dbraw/zinc/35/16/84/245351684.db2.gz JALDHGYKKQJPKP-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415176739 245357631 /nfs/dbraw/zinc/35/76/31/245357631.db2.gz YEQJMMSMZJCWBF-UHFFFAOYSA-N 2 1 362.474 0.901 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954531 245338072 /nfs/dbraw/zinc/33/80/72/245338072.db2.gz LIYQITMXISPMEB-WBMJQRKESA-N 2 1 358.442 0.706 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@H+]1C1CC1 ZINC000414946378 245338647 /nfs/dbraw/zinc/33/86/47/245338647.db2.gz TXEYGIQUYKHGDN-DOMZBBRYSA-N 2 1 358.442 0.849 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275392156 212018127 /nfs/dbraw/zinc/01/81/27/212018127.db2.gz CPCDWJGMDZNWSY-UHFFFAOYSA-N 2 1 350.463 0.424 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000415294342 245379631 /nfs/dbraw/zinc/37/96/31/245379631.db2.gz OAEPYAMVQOGLEF-OFQRWUPVSA-N 2 1 360.458 0.794 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415301356 245381887 /nfs/dbraw/zinc/38/18/87/245381887.db2.gz AELRKHFDJRONJA-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415301356 245381893 /nfs/dbraw/zinc/38/18/93/245381893.db2.gz AELRKHFDJRONJA-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000415321397 245385384 /nfs/dbraw/zinc/38/53/84/245385384.db2.gz YCOKMAJFMMMLJO-RHSMWYFYSA-N 2 1 360.458 0.887 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075967 217093202 /nfs/dbraw/zinc/09/32/02/217093202.db2.gz YMLDAMIQBHHCTF-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CCOC(=O)[C@@]1(COC)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374514240 217138606 /nfs/dbraw/zinc/13/86/06/217138606.db2.gz NOJOOASVBFFOTP-SFHVURJKSA-N 2 1 355.479 0.442 20 0 FCADMP CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374514240 217138610 /nfs/dbraw/zinc/13/86/10/217138610.db2.gz NOJOOASVBFFOTP-SFHVURJKSA-N 2 1 355.479 0.442 20 0 FCADMP CN(C)c1noc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000374552901 217142720 /nfs/dbraw/zinc/14/27/20/217142720.db2.gz TWHSUFNMOZANCZ-CQSZACIVSA-N 2 1 350.467 0.479 20 0 FCADMP CN(C)c1noc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000374552901 217142722 /nfs/dbraw/zinc/14/27/22/217142722.db2.gz TWHSUFNMOZANCZ-CQSZACIVSA-N 2 1 350.467 0.479 20 0 FCADMP COCCO[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000374617583 217149021 /nfs/dbraw/zinc/14/90/21/217149021.db2.gz HVFWNLSUQYIGGE-AEFFLSMTSA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)n1cc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]2CO)cn1 ZINC000375432194 217264085 /nfs/dbraw/zinc/26/40/85/217264085.db2.gz ATSJLLCFHOTGRF-ROUUACIJSA-N 2 1 363.506 0.636 20 0 FCADMP CC(C)n1cc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@H]2CO)cn1 ZINC000375432194 217264089 /nfs/dbraw/zinc/26/40/89/217264089.db2.gz ATSJLLCFHOTGRF-ROUUACIJSA-N 2 1 363.506 0.636 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000416951077 245657311 /nfs/dbraw/zinc/65/73/11/245657311.db2.gz MYUUAXXBVLPSMN-MRXNPFEDSA-N 2 1 361.494 0.430 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417048144 245667233 /nfs/dbraw/zinc/66/72/33/245667233.db2.gz FHYCKGIREHLIBD-HNNXBMFYSA-N 2 1 353.511 0.666 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551631 245707225 /nfs/dbraw/zinc/70/72/25/245707225.db2.gz OEVKURMRZVQKKC-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+](C)C1CC1 ZINC000376331796 217385699 /nfs/dbraw/zinc/38/56/99/217385699.db2.gz CENBBPHICZDXGK-ZBSSRIJBSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[N@H+](C)C1CC1 ZINC000376331796 217385701 /nfs/dbraw/zinc/38/57/01/217385701.db2.gz CENBBPHICZDXGK-ZBSSRIJBSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000376331796 217385704 /nfs/dbraw/zinc/38/57/04/217385704.db2.gz CENBBPHICZDXGK-ZBSSRIJBSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418863723 245876627 /nfs/dbraw/zinc/87/66/27/245876627.db2.gz PQXHNWGORLPZSX-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419092360 245977947 /nfs/dbraw/zinc/97/79/47/245977947.db2.gz XEOUEVLDRTXADS-SOUVJXGZSA-N 2 1 354.495 0.249 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129598 246004632 /nfs/dbraw/zinc/00/46/32/246004632.db2.gz YNVNDTLOVHLLLL-HOTGVXAUSA-N 2 1 355.527 0.008 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419153379 246018864 /nfs/dbraw/zinc/01/88/64/246018864.db2.gz PQXKIFJUUWCQBL-LSDHHAIUSA-N 2 1 364.515 0.945 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419131827 246007032 /nfs/dbraw/zinc/00/70/32/246007032.db2.gz GYRRTRSCSGXGAO-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419135034 246008911 /nfs/dbraw/zinc/00/89/11/246008911.db2.gz LPOKAKSKVOGYRV-FGTMMUONSA-N 2 1 356.470 0.445 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000419164625 246027690 /nfs/dbraw/zinc/02/76/90/246027690.db2.gz AECWBEQZDVGNFU-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419173081 246032098 /nfs/dbraw/zinc/03/20/98/246032098.db2.gz LFQMPNCHSSDBIE-DLBZAZTESA-N 2 1 373.432 0.790 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171371 246033497 /nfs/dbraw/zinc/03/34/97/246033497.db2.gz XNYPSIVZNBFEDF-MSOLQXFVSA-N 2 1 374.485 0.247 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419175984 246035287 /nfs/dbraw/zinc/03/52/87/246035287.db2.gz YLFNHNOVGOVMSE-IKGGRYGDSA-N 2 1 368.522 0.722 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176117 246036000 /nfs/dbraw/zinc/03/60/00/246036000.db2.gz YQHLKAHPFDDWNB-SJLPKXTDSA-N 2 1 358.486 0.521 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419182577 246038697 /nfs/dbraw/zinc/03/86/97/246038697.db2.gz CLYKGKJZTMHFBZ-KRWDZBQOSA-N 2 1 367.538 0.152 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419180460 246039404 /nfs/dbraw/zinc/03/94/04/246039404.db2.gz JWTJSKXDIJZBDE-MRXNPFEDSA-N 2 1 354.495 0.252 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419188382 246043426 /nfs/dbraw/zinc/04/34/26/246043426.db2.gz SNTOXTHQGNMAHT-HZPDHXFCSA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CCC(F)(F)F ZINC000419207231 246055459 /nfs/dbraw/zinc/05/54/59/246055459.db2.gz MEBDSMSVIYZOGX-NEPJUHHUSA-N 2 1 352.401 0.763 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CCC(F)(F)F ZINC000419207231 246055462 /nfs/dbraw/zinc/05/54/62/246055462.db2.gz MEBDSMSVIYZOGX-NEPJUHHUSA-N 2 1 352.401 0.763 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000419212642 246056367 /nfs/dbraw/zinc/05/63/67/246056367.db2.gz VCTGWFJLPAVZBP-OLZOCXBDSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000419212642 246056371 /nfs/dbraw/zinc/05/63/71/246056371.db2.gz VCTGWFJLPAVZBP-OLZOCXBDSA-N 2 1 364.412 0.730 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419212222 246056842 /nfs/dbraw/zinc/05/68/42/246056842.db2.gz UKKVFGZNOLBSAN-NQIIRXRSSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221875 246062211 /nfs/dbraw/zinc/06/22/11/246062211.db2.gz AWMUEZXXZWEKRR-OQIJWPOYSA-N 2 1 370.497 0.691 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419197465 246047625 /nfs/dbraw/zinc/04/76/25/246047625.db2.gz BYFSDXAWUIMIKC-GOSISDBHSA-N 2 1 356.470 0.803 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419207358 246054964 /nfs/dbraw/zinc/05/49/64/246054964.db2.gz MKIOYEJGNIEQEN-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419228519 246067606 /nfs/dbraw/zinc/06/76/06/246067606.db2.gz GUTMCSCUIUQJHX-YQQAZPJKSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419228519 246067612 /nfs/dbraw/zinc/06/76/12/246067612.db2.gz GUTMCSCUIUQJHX-YQQAZPJKSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419230499 246068256 /nfs/dbraw/zinc/06/82/56/246068256.db2.gz IUIPBEJPLCYUHH-UONOGXRCSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419230499 246068261 /nfs/dbraw/zinc/06/82/61/246068261.db2.gz IUIPBEJPLCYUHH-UONOGXRCSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419230498 246068460 /nfs/dbraw/zinc/06/84/60/246068460.db2.gz IUIPBEJPLCYUHH-KGLIPLIRSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419230498 246068466 /nfs/dbraw/zinc/06/84/66/246068466.db2.gz IUIPBEJPLCYUHH-KGLIPLIRSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000419234946 246071792 /nfs/dbraw/zinc/07/17/92/246071792.db2.gz YEXFZEFTHKXXMI-JFIYKMOQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419249237 246077000 /nfs/dbraw/zinc/07/70/00/246077000.db2.gz YHGXNOHYDJDZES-IPYPFGDCSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419249237 246077004 /nfs/dbraw/zinc/07/70/04/246077004.db2.gz YHGXNOHYDJDZES-IPYPFGDCSA-N 2 1 364.515 0.868 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419268870 246081759 /nfs/dbraw/zinc/08/17/59/246081759.db2.gz NPONMKGXJGDHJU-UHFFFAOYSA-N 2 1 362.474 0.251 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266897 246081844 /nfs/dbraw/zinc/08/18/44/246081844.db2.gz IFYXHTIIODMGQW-QGZVFWFLSA-N 2 1 360.458 0.085 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317839 246097744 /nfs/dbraw/zinc/09/77/44/246097744.db2.gz NESUVVKSLSBHEQ-OYYDLILQSA-N 2 1 374.460 0.820 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329484 246101157 /nfs/dbraw/zinc/10/11/57/246101157.db2.gz GJYVIBDYPFAKLL-BVPBIZIASA-N 2 1 356.470 0.539 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)[nH+]c1 ZINC000419303316 246090717 /nfs/dbraw/zinc/09/07/17/246090717.db2.gz RQHUCZNCFSKFHY-HOCLYGCPSA-N 2 1 359.474 0.732 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)[nH+]c1 ZINC000419301885 246090742 /nfs/dbraw/zinc/09/07/42/246090742.db2.gz OWHYPSKPCGFQSE-INIZCTEOSA-N 2 1 359.474 0.815 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419386668 246126493 /nfs/dbraw/zinc/12/64/93/246126493.db2.gz BVYLCXDCNGCXNM-HZPDHXFCSA-N 2 1 362.499 0.280 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419386668 246126496 /nfs/dbraw/zinc/12/64/96/246126496.db2.gz BVYLCXDCNGCXNM-HZPDHXFCSA-N 2 1 362.499 0.280 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419360267 246116466 /nfs/dbraw/zinc/11/64/66/246116466.db2.gz SCNLAMFSIVWXGH-RDJZCZTQSA-N 2 1 374.485 0.817 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419415787 246149971 /nfs/dbraw/zinc/14/99/71/246149971.db2.gz GNVATMQLMRUJFD-MSOLQXFVSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404619 246138628 /nfs/dbraw/zinc/13/86/28/246138628.db2.gz UDVDWCZNGREINA-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419407819 246141434 /nfs/dbraw/zinc/14/14/34/246141434.db2.gz LEIRFSBJEVZSFM-IBGZPJMESA-N 2 1 370.497 0.975 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419408506 246142161 /nfs/dbraw/zinc/14/21/61/246142161.db2.gz LXWLXZDAFYEEPC-VVLHAWIVSA-N 2 1 350.507 0.539 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408663 246142669 /nfs/dbraw/zinc/14/26/69/246142669.db2.gz CTQGWNOCCVOWEK-KSZLIROESA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408663 246142675 /nfs/dbraw/zinc/14/26/75/246142675.db2.gz CTQGWNOCCVOWEK-KSZLIROESA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419411023 246144354 /nfs/dbraw/zinc/14/43/54/246144354.db2.gz PQCAMPIZQUBWGW-BPQIPLTHSA-N 2 1 358.486 0.788 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419451852 246171423 /nfs/dbraw/zinc/17/14/23/246171423.db2.gz NZWZGZPCFZUYLT-JKSUJKDBSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419448027 246167422 /nfs/dbraw/zinc/16/74/22/246167422.db2.gz IANCQFXKUVEMPD-MRXNPFEDSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419454387 246170209 /nfs/dbraw/zinc/17/02/09/246170209.db2.gz TVWXZNRVSVVXRU-INIZCTEOSA-N 2 1 373.501 0.311 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000419418276 246152549 /nfs/dbraw/zinc/15/25/49/246152549.db2.gz YBUSEQLGRBFSTR-KCQAQPDRSA-N 2 1 352.504 0.971 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419504504 246183235 /nfs/dbraw/zinc/18/32/35/246183235.db2.gz GSYLDPSFLYTAJQ-OTWHNJEPSA-N 2 1 370.497 0.693 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501439 246184501 /nfs/dbraw/zinc/18/45/01/246184501.db2.gz DRPZYCFKVYAAMS-DLBZAZTESA-N 2 1 373.501 0.121 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419510043 246186509 /nfs/dbraw/zinc/18/65/09/246186509.db2.gz GLLWXLMRBMRDSR-GJZGRUSLSA-N 2 1 364.446 0.027 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419525836 246193493 /nfs/dbraw/zinc/19/34/93/246193493.db2.gz DPCYWXISFBMLPW-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451850 246171711 /nfs/dbraw/zinc/17/17/11/246171711.db2.gz NZWZGZPCFZUYLT-HOTGVXAUSA-N 2 1 361.490 0.167 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419536236 246194590 /nfs/dbraw/zinc/19/45/90/246194590.db2.gz UIXQWYZSURTOFZ-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419532193 246194730 /nfs/dbraw/zinc/19/47/30/246194730.db2.gz MSHXZVIGIFNCIQ-BPQIPLTHSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534578 246195097 /nfs/dbraw/zinc/19/50/97/246195097.db2.gz QMRWYJUTMFIDJZ-MAUKXSAKSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419535432 246195959 /nfs/dbraw/zinc/19/59/59/246195959.db2.gz RYHLJDFGCPZNAJ-WRWLIDTKSA-N 2 1 358.486 0.820 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419543583 246196584 /nfs/dbraw/zinc/19/65/84/246196584.db2.gz FWBFUNXZHXIBIE-HIFRSBDPSA-N 2 1 352.504 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419539283 246198388 /nfs/dbraw/zinc/19/83/88/246198388.db2.gz YJBJFKFMNVCITI-XYVMCAHJSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000419654517 246230442 /nfs/dbraw/zinc/23/04/42/246230442.db2.gz GRAIMEJUHMLXJK-DZGCQCFKSA-N 2 1 368.428 0.866 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000419654517 246230446 /nfs/dbraw/zinc/23/04/46/246230446.db2.gz GRAIMEJUHMLXJK-DZGCQCFKSA-N 2 1 368.428 0.866 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419670124 246239023 /nfs/dbraw/zinc/23/90/23/246239023.db2.gz FRFBMMFHVQLSAW-OAGGEKHMSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419701911 246260068 /nfs/dbraw/zinc/26/00/68/246260068.db2.gz BLDPJDWPTXOPBM-CWLKWCNXSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000419714391 246264894 /nfs/dbraw/zinc/26/48/94/246264894.db2.gz XUQAXFWAERWFCZ-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754158 246284684 /nfs/dbraw/zinc/28/46/84/246284684.db2.gz BQGOPUPJBBOBMK-XJKSGUPXSA-N 2 1 350.438 0.630 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419757787 246286267 /nfs/dbraw/zinc/28/62/67/246286267.db2.gz DCZVMSZNVOINJK-QZTJIDSGSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000419756363 246286557 /nfs/dbraw/zinc/28/65/57/246286557.db2.gz AURHBDYBYVSEFW-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755720 246287010 /nfs/dbraw/zinc/28/70/10/246287010.db2.gz DVJOEAPUWXSLJP-GDBMZVCRSA-N 2 1 350.438 0.617 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419760352 246289565 /nfs/dbraw/zinc/28/95/65/246289565.db2.gz NQMSECSYGRDKJF-MRXNPFEDSA-N 2 1 364.465 0.832 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419766240 246290295 /nfs/dbraw/zinc/29/02/95/246290295.db2.gz RLHKJNDEYHSYKG-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419769097 246291122 /nfs/dbraw/zinc/29/11/22/246291122.db2.gz DACMQGRNUVCVIX-MELADBBJSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000419766912 246291695 /nfs/dbraw/zinc/29/16/95/246291695.db2.gz ZMEVKWAAOBOXNC-HOCLYGCPSA-N 2 1 364.465 0.817 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000419809113 246303262 /nfs/dbraw/zinc/30/32/62/246303262.db2.gz HJFMWYFYKHQYOY-GJZGRUSLSA-N 2 1 364.446 0.109 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419873233 246342293 /nfs/dbraw/zinc/34/22/93/246342293.db2.gz YUTBZOIMLQJNBW-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419873233 246342300 /nfs/dbraw/zinc/34/23/00/246342300.db2.gz YUTBZOIMLQJNBW-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419873231 246340501 /nfs/dbraw/zinc/34/05/01/246340501.db2.gz YUTBZOIMLQJNBW-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419873231 246340507 /nfs/dbraw/zinc/34/05/07/246340507.db2.gz YUTBZOIMLQJNBW-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419827827 246307487 /nfs/dbraw/zinc/30/74/87/246307487.db2.gz RNFNIFQEQDFXOT-GJZGRUSLSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419826050 246308602 /nfs/dbraw/zinc/30/86/02/246308602.db2.gz SDKMEIBLMPNSOO-LSDHHAIUSA-N 2 1 350.463 0.895 20 0 FCADMP CCN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419837753 246312423 /nfs/dbraw/zinc/31/24/23/246312423.db2.gz DMQJVHGSJVPLQX-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419854434 246323375 /nfs/dbraw/zinc/32/33/75/246323375.db2.gz GNFRTOKXVWTXQH-GBESFXJTSA-N 2 1 370.497 0.693 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419872784 246342001 /nfs/dbraw/zinc/34/20/01/246342001.db2.gz FKGSOHFPCHWHDM-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861139 246331230 /nfs/dbraw/zinc/33/12/30/246331230.db2.gz DQJUNGWLCKQNKM-INIZCTEOSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923238 246371671 /nfs/dbraw/zinc/37/16/71/246371671.db2.gz GHDSKTZZVZVMEI-CRAIPNDOSA-N 2 1 374.485 0.514 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419882993 246347239 /nfs/dbraw/zinc/34/72/39/246347239.db2.gz CXEGUTUQTATEIR-WMZOPIPTSA-N 2 1 373.501 0.763 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419884249 246350601 /nfs/dbraw/zinc/35/06/01/246350601.db2.gz FUFCAELUPWBQJY-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419888607 246351620 /nfs/dbraw/zinc/35/16/20/246351620.db2.gz RESOBOCVXYAROV-SFHVURJKSA-N 2 1 370.497 0.979 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887489 246352881 /nfs/dbraw/zinc/35/28/81/246352881.db2.gz FALJADSATDIWCT-ZSYWTGECSA-N 2 1 370.497 0.963 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419899889 246360563 /nfs/dbraw/zinc/36/05/63/246360563.db2.gz ZSFRYJOJSKSCEM-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419945806 246380071 /nfs/dbraw/zinc/38/00/71/246380071.db2.gz SWJOSNHFEHCPCE-OAHLLOKOSA-N 2 1 362.474 0.441 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419945806 246380077 /nfs/dbraw/zinc/38/00/77/246380077.db2.gz SWJOSNHFEHCPCE-OAHLLOKOSA-N 2 1 362.474 0.441 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419960555 246388262 /nfs/dbraw/zinc/38/82/62/246388262.db2.gz FHJDQVSPJULNDI-QGZVFWFLSA-N 2 1 368.522 0.315 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419971204 246396101 /nfs/dbraw/zinc/39/61/01/246396101.db2.gz DEUADCLRHDKLIO-WCVJEAGWSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000419977728 246399378 /nfs/dbraw/zinc/39/93/78/246399378.db2.gz NBBFURJOSDDVFI-GJZGRUSLSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000423372354 247013321 /nfs/dbraw/zinc/01/33/21/247013321.db2.gz BFFMICIWZJAVJX-DOTOQJQBSA-N 2 1 368.522 0.530 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000423367402 247013679 /nfs/dbraw/zinc/01/36/79/247013679.db2.gz AKJXZQMEKNCSCG-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000423367402 247013683 /nfs/dbraw/zinc/01/36/83/247013683.db2.gz AKJXZQMEKNCSCG-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@H](C)[NH3+] ZINC000423390051 247019145 /nfs/dbraw/zinc/01/91/45/247019145.db2.gz VPGABISIYVGMHK-XJKSGUPXSA-N 2 1 350.467 0.215 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423424438 247023261 /nfs/dbraw/zinc/02/32/61/247023261.db2.gz FPGDLJZFXUDPBA-QAETUUGQSA-N 2 1 350.507 0.763 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423449222 247029702 /nfs/dbraw/zinc/02/97/02/247029702.db2.gz RDYPFPYMHIUIIH-IBGZPJMESA-N 2 1 366.506 0.015 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000423450749 247029752 /nfs/dbraw/zinc/02/97/52/247029752.db2.gz UECIUZOLSLJQBQ-HOTGVXAUSA-N 2 1 368.522 0.247 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423466430 247032466 /nfs/dbraw/zinc/03/24/66/247032466.db2.gz CZUSXLDVYNPGSW-GBESFXJTSA-N 2 1 370.497 0.645 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423463520 247033392 /nfs/dbraw/zinc/03/33/92/247033392.db2.gz AQFPDDBPGKUITM-HDICACEKSA-N 2 1 358.486 0.645 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423489467 247034801 /nfs/dbraw/zinc/03/48/01/247034801.db2.gz XEYCZJSSVOSTLZ-KURKYZTESA-N 2 1 356.470 0.384 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423489534 247035393 /nfs/dbraw/zinc/03/53/93/247035393.db2.gz XHGVAFLSKIYWFF-KDURUIRLSA-N 2 1 370.497 0.774 20 0 FCADMP CCOC(=O)[C@H]1NCC[C@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423522842 247042474 /nfs/dbraw/zinc/04/24/74/247042474.db2.gz HSNTUEYFDLZHOD-MSOLQXFVSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000423681460 247108933 /nfs/dbraw/zinc/10/89/33/247108933.db2.gz NHRNUQFBURAMQU-ZBFHGGJFSA-N 2 1 361.490 0.930 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000423647265 247089119 /nfs/dbraw/zinc/08/91/19/247089119.db2.gz HSILIHFRTYQFJN-MVJTYMMSSA-N 2 1 373.501 0.742 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423652341 247094751 /nfs/dbraw/zinc/09/47/51/247094751.db2.gz NHCVIRTXGNBCTP-CABCVRRESA-N 2 1 354.495 0.012 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423658400 247097738 /nfs/dbraw/zinc/09/77/38/247097738.db2.gz FXMDWTRFXIGYQN-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000423658400 247097741 /nfs/dbraw/zinc/09/77/41/247097741.db2.gz FXMDWTRFXIGYQN-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423702226 247115289 /nfs/dbraw/zinc/11/52/89/247115289.db2.gz XXCHRLUSCODING-HZPDHXFCSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423666497 247100911 /nfs/dbraw/zinc/10/09/11/247100911.db2.gz MHPBCHLJNABTAT-CGTJXYLNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423666497 247100916 /nfs/dbraw/zinc/10/09/16/247100916.db2.gz MHPBCHLJNABTAT-CGTJXYLNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423666499 247101133 /nfs/dbraw/zinc/10/11/33/247101133.db2.gz MHPBCHLJNABTAT-RYQLBKOJSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423666499 247101138 /nfs/dbraw/zinc/10/11/38/247101138.db2.gz MHPBCHLJNABTAT-RYQLBKOJSA-N 2 1 358.486 0.567 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000423668743 247103223 /nfs/dbraw/zinc/10/32/23/247103223.db2.gz WTLYVASERNZSOI-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C(C)(C)C[NH3+])cc[nH+]1 ZINC000423923644 247150486 /nfs/dbraw/zinc/15/04/86/247150486.db2.gz KYIHPFNYMFKWQN-STQMWFEESA-N 2 1 352.458 0.903 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000423920068 247150514 /nfs/dbraw/zinc/15/05/14/247150514.db2.gz GCIFMGMKEJWPMD-IHRRRGAJSA-N 2 1 350.442 0.670 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423703198 247116174 /nfs/dbraw/zinc/11/61/74/247116174.db2.gz ZROCMZUJBGUMLI-SOUVJXGZSA-N 2 1 354.495 0.018 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423703198 247116176 /nfs/dbraw/zinc/11/61/76/247116176.db2.gz ZROCMZUJBGUMLI-SOUVJXGZSA-N 2 1 354.495 0.018 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423701164 247116373 /nfs/dbraw/zinc/11/63/73/247116373.db2.gz WBCZNSUEOVEGFL-HOTGVXAUSA-N 2 1 355.527 0.057 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423701164 247116377 /nfs/dbraw/zinc/11/63/77/247116377.db2.gz WBCZNSUEOVEGFL-HOTGVXAUSA-N 2 1 355.527 0.057 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000423705371 247117850 /nfs/dbraw/zinc/11/78/50/247117850.db2.gz HIACPCAPDCBUFJ-HNNXBMFYSA-N 3 1 350.511 0.832 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423713817 247121193 /nfs/dbraw/zinc/12/11/93/247121193.db2.gz WNJLFGWXNRQRMG-KSZLIROESA-N 2 1 356.470 0.527 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423723032 247126843 /nfs/dbraw/zinc/12/68/43/247126843.db2.gz KYDVKBOVNKGIKR-UKPHBRMFSA-N 2 1 362.449 0.631 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000424495511 247239353 /nfs/dbraw/zinc/23/93/53/247239353.db2.gz QMSBEAPFYVULHJ-OAHLLOKOSA-N 2 1 356.511 0.387 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424497292 247241557 /nfs/dbraw/zinc/24/15/57/247241557.db2.gz WSQYZLZNKCCCFD-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000424456013 247225689 /nfs/dbraw/zinc/22/56/89/247225689.db2.gz OVYUGHTUENYGSL-OAHLLOKOSA-N 2 1 360.458 0.573 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000424538648 247255421 /nfs/dbraw/zinc/25/54/21/247255421.db2.gz DHCQEMQSBCSMSN-MRXNPFEDSA-N 2 1 368.522 0.579 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425387853 247330331 /nfs/dbraw/zinc/33/03/31/247330331.db2.gz OARHNXOOBBLTRF-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)c1 ZINC000425395861 247334092 /nfs/dbraw/zinc/33/40/92/247334092.db2.gz YFXKXYFFWSCMGE-DLBZAZTESA-N 2 1 371.485 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)c1 ZINC000425395861 247334096 /nfs/dbraw/zinc/33/40/96/247334096.db2.gz YFXKXYFFWSCMGE-DLBZAZTESA-N 2 1 371.485 0.591 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425672500 247360224 /nfs/dbraw/zinc/36/02/24/247360224.db2.gz WCPAHKKLJWQVMR-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425672500 247360228 /nfs/dbraw/zinc/36/02/28/247360228.db2.gz WCPAHKKLJWQVMR-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000436065399 248030837 /nfs/dbraw/zinc/03/08/37/248030837.db2.gz XPFAWQXIQXYZFK-ULQDDVLXSA-N 2 1 366.506 0.476 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000436065399 248030840 /nfs/dbraw/zinc/03/08/40/248030840.db2.gz XPFAWQXIQXYZFK-ULQDDVLXSA-N 2 1 366.506 0.476 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760299 248295978 /nfs/dbraw/zinc/29/59/78/248295978.db2.gz GGFYKVLESNFSAA-KBPBESRZSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760299 248295979 /nfs/dbraw/zinc/29/59/79/248295979.db2.gz GGFYKVLESNFSAA-KBPBESRZSA-N 2 1 350.488 0.702 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443069679 248305827 /nfs/dbraw/zinc/30/58/27/248305827.db2.gz KGYBAJUMRPGTKK-ZDUSSCGKSA-N 2 1 354.476 0.723 20 0 FCADMP C[C@H](O)CN(CC(=O)N1CCN(Cc2ccsc2)CC1)[C@@H](C)CO ZINC000443324711 248321257 /nfs/dbraw/zinc/32/12/57/248321257.db2.gz YNVDQCCHLBPYJZ-GJZGRUSLSA-N 2 1 355.504 0.456 20 0 FCADMP CNc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443522728 248330335 /nfs/dbraw/zinc/33/03/35/248330335.db2.gz MUWDGQXAERAMBN-ZQDZILKHSA-N 2 1 362.526 0.393 20 0 FCADMP CNc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443522728 248330337 /nfs/dbraw/zinc/33/03/37/248330337.db2.gz MUWDGQXAERAMBN-ZQDZILKHSA-N 2 1 362.526 0.393 20 0 FCADMP CNc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443522728 248330339 /nfs/dbraw/zinc/33/03/39/248330339.db2.gz MUWDGQXAERAMBN-ZQDZILKHSA-N 2 1 362.526 0.393 20 0 FCADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)CN1CC[NH+](C)CC1 ZINC000446376748 248388371 /nfs/dbraw/zinc/38/83/71/248388371.db2.gz LPQFTAKOLZLPOR-YKTARERQSA-N 2 1 352.523 0.519 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275863 250143367 /nfs/dbraw/zinc/14/33/67/250143367.db2.gz KDAPLHUOLAJDAJ-ROUUACIJSA-N 2 1 354.539 0.972 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278675 250142341 /nfs/dbraw/zinc/14/23/41/250142341.db2.gz OEFIPUOMKQLQFP-AEFFLSMTSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000472263604 250142587 /nfs/dbraw/zinc/14/25/87/250142587.db2.gz JOBKASCMDAXZNJ-HNNXBMFYSA-N 2 1 373.523 0.131 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000472263604 250142591 /nfs/dbraw/zinc/14/25/91/250142591.db2.gz JOBKASCMDAXZNJ-HNNXBMFYSA-N 2 1 373.523 0.131 20 0 FCADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561463 250236415 /nfs/dbraw/zinc/23/64/15/250236415.db2.gz MKDIXDITIIVJNL-ZCNNSNEGSA-N 2 1 354.498 0.967 20 0 FCADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561463 250236420 /nfs/dbraw/zinc/23/64/20/250236420.db2.gz MKDIXDITIIVJNL-ZCNNSNEGSA-N 2 1 354.498 0.967 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000473748387 250249878 /nfs/dbraw/zinc/24/98/78/250249878.db2.gz KIGZDSBLUJSCHL-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833402 250365613 /nfs/dbraw/zinc/36/56/13/250365613.db2.gz YNZZQAUUYKYNHV-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833402 250365618 /nfs/dbraw/zinc/36/56/18/250365618.db2.gz YNZZQAUUYKYNHV-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539414 250340784 /nfs/dbraw/zinc/34/07/84/250340784.db2.gz JFARQSHCAXNGIQ-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000377763070 532978962 /nfs/dbraw/zinc/97/89/62/532978962.db2.gz RIRMYZAPERKAOI-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000066179388 208016184 /nfs/dbraw/zinc/01/61/84/208016184.db2.gz MBAIYEUFPQTKGH-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000069425838 208031908 /nfs/dbraw/zinc/03/19/08/208031908.db2.gz WURARGBXFFZBII-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP CC1CC[NH+](CCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069406674 208033284 /nfs/dbraw/zinc/03/32/84/208033284.db2.gz UCADADMHGGCYJX-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000078683203 208085481 /nfs/dbraw/zinc/08/54/81/208085481.db2.gz YDCJTSBFHHTIEY-GJZGRUSLSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000078683203 208085487 /nfs/dbraw/zinc/08/54/87/208085487.db2.gz YDCJTSBFHHTIEY-GJZGRUSLSA-N 2 1 353.511 0.616 20 0 FCADMP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCNS(C)(=O)=O)CC1 ZINC000092374962 208143734 /nfs/dbraw/zinc/14/37/34/208143734.db2.gz IJVWVTYBZSPHII-UHFFFAOYSA-N 2 1 360.911 0.731 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931873741 674149250 /nfs/dbraw/zinc/14/92/50/674149250.db2.gz WLMBGRXHGINNPL-INIZCTEOSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931873741 674149252 /nfs/dbraw/zinc/14/92/52/674149252.db2.gz WLMBGRXHGINNPL-INIZCTEOSA-N 2 1 350.438 0.536 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119482315 208362141 /nfs/dbraw/zinc/36/21/41/208362141.db2.gz ZYJSLNIIZDUXBO-KTFSGNIMSA-N 2 1 363.506 0.606 20 0 FCADMP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118109569 208350168 /nfs/dbraw/zinc/35/01/68/208350168.db2.gz VRXPFCJDZGKSOC-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118109569 208350170 /nfs/dbraw/zinc/35/01/70/208350170.db2.gz VRXPFCJDZGKSOC-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266722824 210391109 /nfs/dbraw/zinc/39/11/09/210391109.db2.gz ZTVJPWADIMVXCK-CYBMUJFWSA-N 2 1 358.402 0.043 20 0 FCADMP CSCC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178884473 209063764 /nfs/dbraw/zinc/06/37/64/209063764.db2.gz XUOKANIXMBWKKI-HOTGVXAUSA-N 2 1 358.552 0.320 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+](C)C1 ZINC000413447660 533477931 /nfs/dbraw/zinc/47/79/31/533477931.db2.gz DGQMZTVMLCGCGW-HNNXBMFYSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+](C)C1 ZINC000413111989 533480155 /nfs/dbraw/zinc/48/01/55/533480155.db2.gz UXKHBBDJUMATRA-SFHVURJKSA-N 2 1 374.485 0.791 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413111989 533480161 /nfs/dbraw/zinc/48/01/61/533480161.db2.gz UXKHBBDJUMATRA-SFHVURJKSA-N 2 1 374.485 0.791 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413111989 533480165 /nfs/dbraw/zinc/48/01/65/533480165.db2.gz UXKHBBDJUMATRA-SFHVURJKSA-N 2 1 374.485 0.791 20 0 FCADMP C(C[NH+]1CC[C@H](C2OCCO2)C1)OCC[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932002890 674161404 /nfs/dbraw/zinc/16/14/04/674161404.db2.gz KMSHQXLHSDRJLM-HOTGVXAUSA-N 2 1 356.463 0.393 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000173921743 229211733 /nfs/dbraw/zinc/21/17/33/229211733.db2.gz KAYJPTYMTGGTGG-OAHLLOKOSA-N 2 1 352.483 0.803 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000410526472 230120804 /nfs/dbraw/zinc/12/08/04/230120804.db2.gz OIUYIQWDCSZGOM-FQEVSTJZSA-N 2 1 373.501 0.755 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000410526472 230120809 /nfs/dbraw/zinc/12/08/09/230120809.db2.gz OIUYIQWDCSZGOM-FQEVSTJZSA-N 2 1 373.501 0.755 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329169301 488976433 /nfs/dbraw/zinc/97/64/33/488976433.db2.gz JOHXIVVPZZEPGB-HIFRSBDPSA-N 2 1 355.508 0.646 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329169301 488976436 /nfs/dbraw/zinc/97/64/36/488976436.db2.gz JOHXIVVPZZEPGB-HIFRSBDPSA-N 2 1 355.508 0.646 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921610 488893203 /nfs/dbraw/zinc/89/32/03/488893203.db2.gz OTJCVRARSNBJCL-MAUKXSAKSA-N 2 1 363.506 0.940 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000562789074 491189956 /nfs/dbraw/zinc/18/99/56/491189956.db2.gz KHMWZRZCRNESHR-QGZVFWFLSA-N 2 1 359.474 0.625 20 0 FCADMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O ZINC000327429161 488919673 /nfs/dbraw/zinc/91/96/73/488919673.db2.gz OBQNDUMBLHSFOY-UHFFFAOYSA-N 2 1 370.881 0.550 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283027 488943863 /nfs/dbraw/zinc/94/38/63/488943863.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283027 488943864 /nfs/dbraw/zinc/94/38/64/488943864.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283027 488943865 /nfs/dbraw/zinc/94/38/65/488943865.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000562815623 491191669 /nfs/dbraw/zinc/19/16/69/491191669.db2.gz DNRAHZXJOIZLOO-KBPBESRZSA-N 2 1 365.444 0.804 20 0 FCADMP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069017132 488370473 /nfs/dbraw/zinc/37/04/73/488370473.db2.gz RWIARTNJYXORPN-KFWWJZLASA-N 2 1 355.479 0.485 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069858388 488374187 /nfs/dbraw/zinc/37/41/87/488374187.db2.gz OGFVCTAYQHEFRO-QGZVFWFLSA-N 2 1 352.523 0.631 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069858388 488374188 /nfs/dbraw/zinc/37/41/88/488374188.db2.gz OGFVCTAYQHEFRO-QGZVFWFLSA-N 2 1 352.523 0.631 20 0 FCADMP C[NH+](C)C1(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCCC1 ZINC000073442177 488384578 /nfs/dbraw/zinc/38/45/78/488384578.db2.gz FSZVGBPCZDJASD-QGZVFWFLSA-N 2 1 356.511 0.633 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667260 488385829 /nfs/dbraw/zinc/38/58/29/488385829.db2.gz UJCVBHTUAMTGRM-ZWKOTPCHSA-N 2 1 369.554 0.765 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345476 488391124 /nfs/dbraw/zinc/39/11/24/488391124.db2.gz BOSFBGXLJZWGTA-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345476 488391126 /nfs/dbraw/zinc/39/11/26/488391126.db2.gz BOSFBGXLJZWGTA-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345476 488391128 /nfs/dbraw/zinc/39/11/28/488391128.db2.gz BOSFBGXLJZWGTA-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345212 488391156 /nfs/dbraw/zinc/39/11/56/488391156.db2.gz LGJSFKMICFJRAE-INIZCTEOSA-N 2 1 353.511 0.557 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000074345136 488391227 /nfs/dbraw/zinc/39/12/27/488391227.db2.gz DRQZALAAITYSKJ-MRXNPFEDSA-N 2 1 353.511 0.749 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)N1CCOCC1 ZINC000185297472 488400030 /nfs/dbraw/zinc/40/00/30/488400030.db2.gz JINVFRAWGYJKQQ-KZNAEPCWSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)N1CCOCC1 ZINC000185297472 488400033 /nfs/dbraw/zinc/40/00/33/488400033.db2.gz JINVFRAWGYJKQQ-KZNAEPCWSA-N 2 1 370.538 0.830 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185732719 488402575 /nfs/dbraw/zinc/40/25/75/488402575.db2.gz NHHCIPGTVBRCQI-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000077760803 488417336 /nfs/dbraw/zinc/41/73/36/488417336.db2.gz NETRBPCZPLLOHD-INIZCTEOSA-N 2 1 355.527 0.014 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000554342756 491196804 /nfs/dbraw/zinc/19/68/04/491196804.db2.gz DHRXFXLXBOXPDW-WBVHZDCISA-N 2 1 368.522 0.591 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000078030966 488419768 /nfs/dbraw/zinc/41/97/68/488419768.db2.gz UHQAOPFWNSYENM-QZTJIDSGSA-N 2 1 373.501 0.573 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000562865042 491197425 /nfs/dbraw/zinc/19/74/25/491197425.db2.gz BYXFXUKCFQMLAG-HOCLYGCPSA-N 2 1 366.506 0.345 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000079124913 488427406 /nfs/dbraw/zinc/42/74/06/488427406.db2.gz MZQPIZAKUQCCHX-UHFFFAOYSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@H]1CCC[C@](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000194144958 488431292 /nfs/dbraw/zinc/43/12/92/488431292.db2.gz RQKWUBGOVWOVRD-LPHOPBHVSA-N 2 1 367.538 0.960 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000079689427 488431639 /nfs/dbraw/zinc/43/16/39/488431639.db2.gz CISJXPOWSHQIEQ-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992910 488433077 /nfs/dbraw/zinc/43/30/77/488433077.db2.gz CORGMYCMGPABPO-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992910 488433079 /nfs/dbraw/zinc/43/30/79/488433079.db2.gz CORGMYCMGPABPO-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081396159 488441977 /nfs/dbraw/zinc/44/19/77/488441977.db2.gz AOKZWZIWTQPRDX-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081396159 488441979 /nfs/dbraw/zinc/44/19/79/488441979.db2.gz AOKZWZIWTQPRDX-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000237170669 488454680 /nfs/dbraw/zinc/45/46/80/488454680.db2.gz QSZMSDOEECLSHT-MRXNPFEDSA-N 2 1 354.458 0.934 20 0 FCADMP CCC[C@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000245939636 488467695 /nfs/dbraw/zinc/46/76/95/488467695.db2.gz QQGSPUWWVNBKIA-MSOLQXFVSA-N 2 1 354.539 0.972 20 0 FCADMP CCC[C@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000245939636 488467697 /nfs/dbraw/zinc/46/76/97/488467697.db2.gz QQGSPUWWVNBKIA-MSOLQXFVSA-N 2 1 354.539 0.972 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246103022 488469317 /nfs/dbraw/zinc/46/93/17/488469317.db2.gz OWQFYUSQUNXNCO-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246103022 488469319 /nfs/dbraw/zinc/46/93/19/488469319.db2.gz OWQFYUSQUNXNCO-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246103022 488469321 /nfs/dbraw/zinc/46/93/21/488469321.db2.gz OWQFYUSQUNXNCO-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246103022 488469322 /nfs/dbraw/zinc/46/93/22/488469322.db2.gz OWQFYUSQUNXNCO-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246204218 488470826 /nfs/dbraw/zinc/47/08/26/488470826.db2.gz NCXXIFQGCFFSLC-FUHWJXTLSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246204218 488470830 /nfs/dbraw/zinc/47/08/30/488470830.db2.gz NCXXIFQGCFFSLC-FUHWJXTLSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000246347874 488472135 /nfs/dbraw/zinc/47/21/35/488472135.db2.gz FJFKLDAFIHBWGS-ZWKOTPCHSA-N 2 1 370.538 0.689 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246558241 488474003 /nfs/dbraw/zinc/47/40/03/488474003.db2.gz YYJYYWSCYXOTSL-SJLPKXTDSA-N 2 1 356.511 0.633 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246558241 488474005 /nfs/dbraw/zinc/47/40/05/488474005.db2.gz YYJYYWSCYXOTSL-SJLPKXTDSA-N 2 1 356.511 0.633 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269239750 488481285 /nfs/dbraw/zinc/48/12/85/488481285.db2.gz AQMKRBPQMKEUSQ-LJQANCHMSA-N 2 1 360.502 0.819 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047772 488497588 /nfs/dbraw/zinc/49/75/88/488497588.db2.gz KAQMWNAKTJDUFE-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047772 488497592 /nfs/dbraw/zinc/49/75/92/488497592.db2.gz KAQMWNAKTJDUFE-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047772 488497595 /nfs/dbraw/zinc/49/75/95/488497595.db2.gz KAQMWNAKTJDUFE-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104788524 488505970 /nfs/dbraw/zinc/50/59/70/488505970.db2.gz GQQFBGPINRKKLV-INIZCTEOSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000249118516 488506840 /nfs/dbraw/zinc/50/68/40/488506840.db2.gz OSYLIRRXZMFLOJ-DLBZAZTESA-N 2 1 369.554 0.357 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223169 488507734 /nfs/dbraw/zinc/50/77/34/488507734.db2.gz PSZISRSAHOLJKO-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223169 488507736 /nfs/dbraw/zinc/50/77/36/488507736.db2.gz PSZISRSAHOLJKO-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223169 488507739 /nfs/dbraw/zinc/50/77/39/488507739.db2.gz PSZISRSAHOLJKO-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105233565 488509032 /nfs/dbraw/zinc/50/90/32/488509032.db2.gz PKMAPBWMFYUORC-HDICACEKSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+](C)CCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105233565 488509035 /nfs/dbraw/zinc/50/90/35/488509035.db2.gz PKMAPBWMFYUORC-HDICACEKSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+](C)CCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105233565 488509036 /nfs/dbraw/zinc/50/90/36/488509036.db2.gz PKMAPBWMFYUORC-HDICACEKSA-N 2 1 369.554 0.765 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261640858 488528466 /nfs/dbraw/zinc/52/84/66/488528466.db2.gz DMQVPNYMZZKXIM-MOPGFXCFSA-N 2 1 360.502 0.947 20 0 FCADMP C[NH+]1CCN(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000111592943 488530043 /nfs/dbraw/zinc/53/00/43/488530043.db2.gz CUWPEMFAIAIWOL-QGZVFWFLSA-N 2 1 373.501 0.570 20 0 FCADMP C[NH+]1CCN(CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000111592943 488530046 /nfs/dbraw/zinc/53/00/46/488530046.db2.gz CUWPEMFAIAIWOL-QGZVFWFLSA-N 2 1 373.501 0.570 20 0 FCADMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261687036 488530726 /nfs/dbraw/zinc/53/07/26/488530726.db2.gz CYJRSVFWLVRKLS-LSDHHAIUSA-N 2 1 363.462 0.892 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000261698007 488531558 /nfs/dbraw/zinc/53/15/58/488531558.db2.gz FIUCYSIXAWLADX-VQHPVUNQSA-N 2 1 350.507 0.905 20 0 FCADMP O=C(NCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC000261789593 488536068 /nfs/dbraw/zinc/53/60/68/488536068.db2.gz OJBUXFFJNAUQKX-INIZCTEOSA-N 2 1 371.441 0.937 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000562978471 491204660 /nfs/dbraw/zinc/20/46/60/491204660.db2.gz MZUGGARVYRBWQP-UHFFFAOYSA-N 2 1 354.495 0.653 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112747711 488536498 /nfs/dbraw/zinc/53/64/98/488536498.db2.gz YQVXXNOAJQDXMC-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261835647 488538120 /nfs/dbraw/zinc/53/81/20/488538120.db2.gz LEJPNCLQMVXTKP-GJZGRUSLSA-N 2 1 352.504 0.798 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540370 /nfs/dbraw/zinc/54/03/70/488540370.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 2 1 356.511 0.448 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540372 /nfs/dbraw/zinc/54/03/72/488540372.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 2 1 356.511 0.448 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540373 /nfs/dbraw/zinc/54/03/73/488540373.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 2 1 356.511 0.448 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261896048 488540582 /nfs/dbraw/zinc/54/05/82/488540582.db2.gz RBWOGUPKAQUKKS-SOUVJXGZSA-N 2 1 367.494 0.189 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1)Cc1ccccc1 ZINC000261892538 488540656 /nfs/dbraw/zinc/54/06/56/488540656.db2.gz VQLRCFXUHXBQQU-MOPGFXCFSA-N 2 1 360.502 0.769 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000261920121 488542116 /nfs/dbraw/zinc/54/21/16/488542116.db2.gz BOWAVCOOWVACTG-CQSZACIVSA-N 2 1 358.442 0.602 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000261920121 488542119 /nfs/dbraw/zinc/54/21/19/488542119.db2.gz BOWAVCOOWVACTG-CQSZACIVSA-N 2 1 358.442 0.602 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262008971 488545841 /nfs/dbraw/zinc/54/58/41/488545841.db2.gz QOTLGSUBQPXDIG-HUUCEWRRSA-N 2 1 350.850 0.681 20 0 FCADMP CN(Cc1ccccc1)C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262113729 488551214 /nfs/dbraw/zinc/55/12/14/488551214.db2.gz MVHGMSMFPLNLLU-UHFFFAOYSA-N 2 1 373.501 0.678 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000118880863 488554720 /nfs/dbraw/zinc/55/47/20/488554720.db2.gz HJPIHTGQUBXOLD-YYIAUSFCSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262269855 488560420 /nfs/dbraw/zinc/56/04/20/488560420.db2.gz SGOHHUOFNZCBPC-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000262274173 488560799 /nfs/dbraw/zinc/56/07/99/488560799.db2.gz YRGTUPPUHFRWSK-IRXDYDNUSA-N 2 1 352.523 0.630 20 0 FCADMP C[NH2+][C@@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000262350398 488565514 /nfs/dbraw/zinc/56/55/14/488565514.db2.gz IYEXKAYYBNSANM-QGZVFWFLSA-N 2 1 372.473 0.288 20 0 FCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262402511 488568498 /nfs/dbraw/zinc/56/84/98/488568498.db2.gz PQNRTHXEOVCAIR-AWEZNQCLSA-N 2 1 359.536 0.780 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262402511 488568501 /nfs/dbraw/zinc/56/85/01/488568501.db2.gz PQNRTHXEOVCAIR-AWEZNQCLSA-N 2 1 359.536 0.780 20 0 FCADMP C[NH+](C)CCC1CC[NH+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000121664659 488570258 /nfs/dbraw/zinc/57/02/58/488570258.db2.gz RKTJXCQOOWXDJH-UHFFFAOYSA-N 2 1 363.462 0.300 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000262598833 488580081 /nfs/dbraw/zinc/58/00/81/488580081.db2.gz WNYZKFKZTYEFNH-YLFCFFPRSA-N 2 1 350.507 0.905 20 0 FCADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000262634505 488583203 /nfs/dbraw/zinc/58/32/03/488583203.db2.gz GYJMKDIBXLTTNI-HNNXBMFYSA-N 2 1 351.447 0.630 20 0 FCADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000262634505 488583207 /nfs/dbraw/zinc/58/32/07/488583207.db2.gz GYJMKDIBXLTTNI-HNNXBMFYSA-N 2 1 351.447 0.630 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000262661696 488584992 /nfs/dbraw/zinc/58/49/92/488584992.db2.gz LVQSBNLALXRLBZ-CVEARBPZSA-N 2 1 362.499 0.663 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000262661696 488584993 /nfs/dbraw/zinc/58/49/93/488584993.db2.gz LVQSBNLALXRLBZ-CVEARBPZSA-N 2 1 362.499 0.663 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+](C)CC1 ZINC000262889326 488598167 /nfs/dbraw/zinc/59/81/67/488598167.db2.gz ZZSSDYKYTGSAQT-SJLPKXTDSA-N 2 1 362.522 0.809 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000126048461 488606552 /nfs/dbraw/zinc/60/65/52/488606552.db2.gz IPNOZVWZAJBADJ-DZGCQCFKSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000126048461 488606555 /nfs/dbraw/zinc/60/65/55/488606555.db2.gz IPNOZVWZAJBADJ-DZGCQCFKSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000263260617 488607877 /nfs/dbraw/zinc/60/78/77/488607877.db2.gz SJUXFUSWTKIADT-LRDDRELGSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000263260617 488607879 /nfs/dbraw/zinc/60/78/79/488607879.db2.gz SJUXFUSWTKIADT-LRDDRELGSA-N 2 1 352.504 0.710 20 0 FCADMP COC[C@@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000563064041 491212124 /nfs/dbraw/zinc/21/21/24/491212124.db2.gz OTIDEGCZWOACBP-LJQANCHMSA-N 2 1 361.490 0.336 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000129381576 488630754 /nfs/dbraw/zinc/63/07/54/488630754.db2.gz HAYHFOFEHXALEI-CABCVRRESA-N 2 1 371.507 0.164 20 0 FCADMP C[C@@H]1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000129381576 488630757 /nfs/dbraw/zinc/63/07/57/488630757.db2.gz HAYHFOFEHXALEI-CABCVRRESA-N 2 1 371.507 0.164 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000132104915 488651124 /nfs/dbraw/zinc/65/11/24/488651124.db2.gz ZSZDJTDBMPJOHZ-IRXDYDNUSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000264208511 488654830 /nfs/dbraw/zinc/65/48/30/488654830.db2.gz HFBJLOFRRMJIBG-QGZVFWFLSA-N 2 1 362.518 0.922 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133505609 488659797 /nfs/dbraw/zinc/65/97/97/488659797.db2.gz PTXNKXMATYYLQQ-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133505609 488659799 /nfs/dbraw/zinc/65/97/99/488659799.db2.gz PTXNKXMATYYLQQ-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000134105598 488664237 /nfs/dbraw/zinc/66/42/37/488664237.db2.gz VXRNCLOGQNTSKP-HNNXBMFYSA-N 2 1 354.520 0.190 20 0 FCADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136814236 488678881 /nfs/dbraw/zinc/67/88/81/488678881.db2.gz CREOUGUWXQBFIM-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136814332 488679336 /nfs/dbraw/zinc/67/93/36/488679336.db2.gz CREOUGUWXQBFIM-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136835281 488679376 /nfs/dbraw/zinc/67/93/76/488679376.db2.gz PGJBLPJAFQMJMO-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000137183699 488680010 /nfs/dbraw/zinc/68/00/10/488680010.db2.gz OPLJHJJMCUBEHI-HNNXBMFYSA-N 2 1 350.463 0.720 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)Cc1ccccc1 ZINC000264666133 488696425 /nfs/dbraw/zinc/69/64/25/488696425.db2.gz ZOXUNYFXJBGKOF-KRWDZBQOSA-N 2 1 361.490 0.757 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)Cc1ccccc1 ZINC000264666133 488696426 /nfs/dbraw/zinc/69/64/26/488696426.db2.gz ZOXUNYFXJBGKOF-KRWDZBQOSA-N 2 1 361.490 0.757 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)Cc1ccccc1 ZINC000264666133 488696427 /nfs/dbraw/zinc/69/64/27/488696427.db2.gz ZOXUNYFXJBGKOF-KRWDZBQOSA-N 2 1 361.490 0.757 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000264717310 488702633 /nfs/dbraw/zinc/70/26/33/488702633.db2.gz KHVCNRKYZKWXAA-KRWDZBQOSA-N 2 1 363.506 0.672 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000264766719 488709302 /nfs/dbraw/zinc/70/93/02/488709302.db2.gz VBVGYTCAAHOXLP-KRWDZBQOSA-N 2 1 363.506 0.672 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000152167716 488713871 /nfs/dbraw/zinc/71/38/71/488713871.db2.gz BJJLVSKRVNKNLY-OAHLLOKOSA-N 2 1 354.520 0.190 20 0 FCADMP C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000156026194 488761795 /nfs/dbraw/zinc/76/17/95/488761795.db2.gz SDQLEVJFBXMHCY-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000275122484 488763477 /nfs/dbraw/zinc/76/34/77/488763477.db2.gz HOLQYTGBYBODLU-SFHVURJKSA-N 2 1 360.502 0.724 20 0 FCADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496332 488778424 /nfs/dbraw/zinc/77/84/24/488778424.db2.gz RANXCVXLQCOKET-ROUUACIJSA-N 2 1 372.517 0.931 20 0 FCADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496332 488778427 /nfs/dbraw/zinc/77/84/27/488778427.db2.gz RANXCVXLQCOKET-ROUUACIJSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496332 488778429 /nfs/dbraw/zinc/77/84/29/488778429.db2.gz RANXCVXLQCOKET-ROUUACIJSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000158496332 488778431 /nfs/dbraw/zinc/77/84/31/488778431.db2.gz RANXCVXLQCOKET-ROUUACIJSA-N 2 1 372.517 0.931 20 0 FCADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000554729782 491221793 /nfs/dbraw/zinc/22/17/93/491221793.db2.gz IPBGJKDKNCXJGS-IPMKNSEASA-N 2 1 372.517 0.965 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000164917527 488810843 /nfs/dbraw/zinc/81/08/43/488810843.db2.gz KOXKWTWCXGUHGI-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000167702314 488812161 /nfs/dbraw/zinc/81/21/61/488812161.db2.gz VFMHTPHJZKJZJE-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171700665 488826157 /nfs/dbraw/zinc/82/61/57/488826157.db2.gz HADDYSSEHMICHA-UHFFFAOYSA-N 2 1 361.490 0.582 20 0 FCADMP C[C@@](O)(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000173278346 488842096 /nfs/dbraw/zinc/84/20/96/488842096.db2.gz GDYYRHPOMFHXON-GOSISDBHSA-N 2 1 356.511 0.678 20 0 FCADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000173615515 488843987 /nfs/dbraw/zinc/84/39/87/488843987.db2.gz WBYLENMWBKLVDP-INIZCTEOSA-N 2 1 360.506 0.976 20 0 FCADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000173615533 488844148 /nfs/dbraw/zinc/84/41/48/488844148.db2.gz WBYLENMWBKLVDP-MRXNPFEDSA-N 2 1 360.506 0.976 20 0 FCADMP C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000174387372 488848884 /nfs/dbraw/zinc/84/88/84/488848884.db2.gz YETWUSZOEHAPDC-WMZOPIPTSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000174481914 488849332 /nfs/dbraw/zinc/84/93/32/488849332.db2.gz LQDQMSLMXSFEDP-AZUAARDMSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CCCN1Cc1ccccc1)CN1CCOCC1 ZINC000174481914 488849333 /nfs/dbraw/zinc/84/93/33/488849333.db2.gz LQDQMSLMXSFEDP-AZUAARDMSA-N 2 1 361.486 0.850 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000364649086 488981941 /nfs/dbraw/zinc/98/19/41/488981941.db2.gz SWALRBPAQRQOAW-UHFFFAOYSA-N 2 1 373.505 0.919 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000364670981 488984356 /nfs/dbraw/zinc/98/43/56/488984356.db2.gz GNVBOWJEOIFGND-UXHICEINSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000364670981 488984358 /nfs/dbraw/zinc/98/43/58/488984358.db2.gz GNVBOWJEOIFGND-UXHICEINSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000364670981 488984359 /nfs/dbraw/zinc/98/43/59/488984359.db2.gz GNVBOWJEOIFGND-UXHICEINSA-N 2 1 372.513 0.649 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](NC(C)=O)C3)CC2)CC1 ZINC000570225868 491225834 /nfs/dbraw/zinc/22/58/34/491225834.db2.gz SBBLAQVHDBMRJB-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364787385 489002407 /nfs/dbraw/zinc/00/24/07/489002407.db2.gz BWIOZTWMCGEHNE-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329771198 489034351 /nfs/dbraw/zinc/03/43/51/489034351.db2.gz JPHACQIQNBEXFF-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP C[NH+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329771199 489034493 /nfs/dbraw/zinc/03/44/93/489034493.db2.gz JPHACQIQNBEXFF-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281457363 489076866 /nfs/dbraw/zinc/07/68/66/489076866.db2.gz NOHPWYDLWHJUCO-UHFFFAOYSA-N 2 1 370.881 0.771 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281457363 489076869 /nfs/dbraw/zinc/07/68/69/489076869.db2.gz NOHPWYDLWHJUCO-UHFFFAOYSA-N 2 1 370.881 0.771 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668333595 493332489 /nfs/dbraw/zinc/33/24/89/493332489.db2.gz VTJQFJXLGPPODX-UHFFFAOYSA-N 2 1 366.506 0.063 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000365976751 489131229 /nfs/dbraw/zinc/13/12/29/489131229.db2.gz DVBBWBJVKQKDQA-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@](O)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C[NH+]1CCOCC1 ZINC000570343797 491235181 /nfs/dbraw/zinc/23/51/81/491235181.db2.gz RAUSDXFDHFSPJM-WMZOPIPTSA-N 2 1 371.547 0.403 20 0 FCADMP COC(=O)[C@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000366032006 489136811 /nfs/dbraw/zinc/13/68/11/489136811.db2.gz ZEPYIKPYNUWBKS-QZTJIDSGSA-N 2 1 356.463 0.773 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)Cc1ccc(F)cc1 ZINC000563300662 491235852 /nfs/dbraw/zinc/23/58/52/491235852.db2.gz BWSBBZIICRKDEI-UHFFFAOYSA-N 2 1 364.465 0.961 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000366166924 489153750 /nfs/dbraw/zinc/15/37/50/489153750.db2.gz CZJALXSTGHNITA-MJGOQNOKSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166924 489153752 /nfs/dbraw/zinc/15/37/52/489153752.db2.gz CZJALXSTGHNITA-MJGOQNOKSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166924 489153753 /nfs/dbraw/zinc/15/37/53/489153753.db2.gz CZJALXSTGHNITA-MJGOQNOKSA-N 2 1 351.539 0.996 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350830 491238657 /nfs/dbraw/zinc/23/86/57/491238657.db2.gz RJVNTTAXLNVQKY-KRWDZBQOSA-N 2 1 356.555 0.715 20 0 FCADMP CCN(C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350830 491238658 /nfs/dbraw/zinc/23/86/58/491238658.db2.gz RJVNTTAXLNVQKY-KRWDZBQOSA-N 2 1 356.555 0.715 20 0 FCADMP CN1CCN(C(=O)c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2)CC1 ZINC000555136357 491239600 /nfs/dbraw/zinc/23/96/00/491239600.db2.gz VSXXZVGAVOEGHA-IBGZPJMESA-N 3 1 360.502 0.619 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331460422 489214157 /nfs/dbraw/zinc/21/41/57/489214157.db2.gz YWTWRAIHPVUPTQ-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283133899 489218416 /nfs/dbraw/zinc/21/84/16/489218416.db2.gz BJWFTGCOPTZLAM-MRXNPFEDSA-N 2 1 350.463 0.100 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C[C@H](C)[N@H+]1C ZINC000332484575 489219089 /nfs/dbraw/zinc/21/90/89/489219089.db2.gz AOPWWPSVXKKCQX-FSDCSDTHSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C[C@H](C)[N@@H+]1C ZINC000332484575 489219093 /nfs/dbraw/zinc/21/90/93/489219093.db2.gz AOPWWPSVXKKCQX-FSDCSDTHSA-N 2 1 366.506 0.282 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[N@@H+](C)C1 ZINC000332801734 489232866 /nfs/dbraw/zinc/23/28/66/489232866.db2.gz YRKXNZVULCXDJU-XLAORIBOSA-N 2 1 368.522 0.725 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332855205 489239392 /nfs/dbraw/zinc/23/93/92/489239392.db2.gz YVYCZJOPXXUUQO-FGTMMUONSA-N 2 1 367.538 0.299 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332971338 489252587 /nfs/dbraw/zinc/25/25/87/489252587.db2.gz DJPNHLMGJXIIKJ-NRSFXHEJSA-N 2 1 368.522 0.461 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333896495 489263713 /nfs/dbraw/zinc/26/37/13/489263713.db2.gz ZCLOUEYZSFOARN-ULQDDVLXSA-N 2 1 365.522 0.700 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)CC1 ZINC000563407924 491242521 /nfs/dbraw/zinc/24/25/21/491242521.db2.gz PXJKTVFNBHDUBG-LJQANCHMSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532034 489271387 /nfs/dbraw/zinc/27/13/87/489271387.db2.gz RGGBWKKGWGXVGG-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1=O ZINC000369911349 489290444 /nfs/dbraw/zinc/29/04/44/489290444.db2.gz KVPJTMFWHOPPBM-TZNCUMHOSA-N 2 1 362.518 0.905 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000285892240 489330939 /nfs/dbraw/zinc/33/09/39/489330939.db2.gz MHWFDEFLOKDIME-UHFFFAOYSA-N 2 1 364.494 0.483 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000286019883 489347391 /nfs/dbraw/zinc/34/73/91/489347391.db2.gz VHMMJKLNVBKYIY-UHFFFAOYSA-N 2 1 353.467 0.125 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000286030290 489348635 /nfs/dbraw/zinc/34/86/35/489348635.db2.gz RDLFQTZHEFFLFO-INIZCTEOSA-N 2 1 368.453 0.239 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)cc2C1 ZINC000362933100 489406412 /nfs/dbraw/zinc/40/64/12/489406412.db2.gz SNOMGZVVELASKJ-DLBZAZTESA-N 2 1 358.442 0.550 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)cc2C1 ZINC000362933100 489406413 /nfs/dbraw/zinc/40/64/13/489406413.db2.gz SNOMGZVVELASKJ-DLBZAZTESA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2C1 ZINC000362933100 489406415 /nfs/dbraw/zinc/40/64/15/489406415.db2.gz SNOMGZVVELASKJ-DLBZAZTESA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2C1 ZINC000362933100 489406416 /nfs/dbraw/zinc/40/64/16/489406416.db2.gz SNOMGZVVELASKJ-DLBZAZTESA-N 2 1 358.442 0.550 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000363180393 489434261 /nfs/dbraw/zinc/43/42/61/489434261.db2.gz CPMKHRVEPKVRGI-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363180393 489434264 /nfs/dbraw/zinc/43/42/64/489434264.db2.gz CPMKHRVEPKVRGI-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363180393 489434268 /nfs/dbraw/zinc/43/42/68/489434268.db2.gz CPMKHRVEPKVRGI-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000287025730 489453325 /nfs/dbraw/zinc/45/33/25/489453325.db2.gz RJNTZRKARBNMLW-KGLIPLIRSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@@H](C)C1 ZINC000287025730 489453328 /nfs/dbraw/zinc/45/33/28/489453328.db2.gz RJNTZRKARBNMLW-KGLIPLIRSA-N 2 1 364.494 0.339 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1C ZINC000287159247 489466266 /nfs/dbraw/zinc/46/62/66/489466266.db2.gz YYXUZYQOTVCNRH-CQSZACIVSA-N 2 1 362.478 0.047 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1CCOC ZINC000371354561 489479752 /nfs/dbraw/zinc/47/97/52/489479752.db2.gz USLWBLZCUAPUIR-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1CCOC ZINC000371354561 489479754 /nfs/dbraw/zinc/47/97/54/489479754.db2.gz USLWBLZCUAPUIR-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1CCOC ZINC000371354561 489479757 /nfs/dbraw/zinc/47/97/57/489479757.db2.gz USLWBLZCUAPUIR-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCSCC1 ZINC000371356419 489480305 /nfs/dbraw/zinc/48/03/05/489480305.db2.gz XLVUTNTVLCKBAX-ZACQAIPSSA-N 2 1 354.564 0.908 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000570667751 491256833 /nfs/dbraw/zinc/25/68/33/491256833.db2.gz IELHRRDHJPQNNS-GDBMZVCRSA-N 2 1 368.522 0.794 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423145948 489496609 /nfs/dbraw/zinc/49/66/09/489496609.db2.gz NEZTYZHAPQEJPK-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H]1c1ccccc1 ZINC000563638013 491259997 /nfs/dbraw/zinc/25/99/97/491259997.db2.gz QXIFQVICXHBJTF-VVLHAWIVSA-N 2 1 357.458 0.385 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)C1 ZINC000451719336 489519862 /nfs/dbraw/zinc/51/98/62/489519862.db2.gz XEXAGARAQRVGCZ-FCGDIQPGSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)C1 ZINC000451719336 489519864 /nfs/dbraw/zinc/51/98/64/489519864.db2.gz XEXAGARAQRVGCZ-FCGDIQPGSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)C1 ZINC000451719336 489519866 /nfs/dbraw/zinc/51/98/66/489519866.db2.gz XEXAGARAQRVGCZ-FCGDIQPGSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415447503 489521581 /nfs/dbraw/zinc/52/15/81/489521581.db2.gz HOVAXQYVOSDTDC-QGZVFWFLSA-N 2 1 362.474 0.599 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563640446 491260600 /nfs/dbraw/zinc/26/06/00/491260600.db2.gz RMWXISFHKORIBS-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563640445 491260631 /nfs/dbraw/zinc/26/06/31/491260631.db2.gz RMWXISFHKORIBS-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP O=C1OC[C@@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371998488 489533729 /nfs/dbraw/zinc/53/37/29/489533729.db2.gz LDUXOTZVPYAZSM-GJZGRUSLSA-N 2 1 352.435 0.430 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882442 489539595 /nfs/dbraw/zinc/53/95/95/489539595.db2.gz DRKKHESCUXAKQA-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882442 489539599 /nfs/dbraw/zinc/53/95/99/489539599.db2.gz DRKKHESCUXAKQA-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425889665 489542011 /nfs/dbraw/zinc/54/20/11/489542011.db2.gz VFQNZQQAGHTIKI-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425889665 489542014 /nfs/dbraw/zinc/54/20/14/489542014.db2.gz VFQNZQQAGHTIKI-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000563660732 491261573 /nfs/dbraw/zinc/26/15/73/491261573.db2.gz PXFOVZKVAABPAC-UHFFFAOYSA-N 2 1 352.504 0.551 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000425891792 489542788 /nfs/dbraw/zinc/54/27/88/489542788.db2.gz UNXRFCMQLMHNRU-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000425892267 489543280 /nfs/dbraw/zinc/54/32/80/489543280.db2.gz VBHOBPAKBYNAIV-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000425909730 489548159 /nfs/dbraw/zinc/54/81/59/489548159.db2.gz QTCUHSMLAXRJFM-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000425909730 489548161 /nfs/dbraw/zinc/54/81/61/489548161.db2.gz QTCUHSMLAXRJFM-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C[C@H](C)O1 ZINC000415757811 489550701 /nfs/dbraw/zinc/55/07/01/489550701.db2.gz HHWVFAHTZZVKNR-SCQPEEIGSA-N 2 1 372.469 0.568 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C[C@H](C)O1 ZINC000415757811 489550703 /nfs/dbraw/zinc/55/07/03/489550703.db2.gz HHWVFAHTZZVKNR-SCQPEEIGSA-N 2 1 372.469 0.568 20 0 FCADMP Cc1cccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312362 489569749 /nfs/dbraw/zinc/56/97/49/489569749.db2.gz WFIXUFFERHHICF-VQTJNVASSA-N 2 1 372.513 0.874 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000563713469 491264711 /nfs/dbraw/zinc/26/47/11/491264711.db2.gz GZLYPAKXZKETQZ-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCCN(c2nc(OC)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000426880196 489585147 /nfs/dbraw/zinc/58/51/47/489585147.db2.gz ABHHQCHEXVDSPH-UHFFFAOYSA-N 2 1 363.510 0.944 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000563763577 491267584 /nfs/dbraw/zinc/26/75/84/491267584.db2.gz VNHLWMDANJDQNC-FPOVZHCZSA-N 2 1 373.497 0.850 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000563763577 491267586 /nfs/dbraw/zinc/26/75/86/491267586.db2.gz VNHLWMDANJDQNC-FPOVZHCZSA-N 2 1 373.497 0.850 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428030632 489633630 /nfs/dbraw/zinc/63/36/30/489633630.db2.gz FCMPFTUYTKRWHS-DOMZBBRYSA-N 2 1 352.460 0.346 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428030632 489633631 /nfs/dbraw/zinc/63/36/31/489633631.db2.gz FCMPFTUYTKRWHS-DOMZBBRYSA-N 2 1 352.460 0.346 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000416974710 489637432 /nfs/dbraw/zinc/63/74/32/489637432.db2.gz MIOUIHWTMCSNHO-KRWDZBQOSA-N 2 1 361.490 0.857 20 0 FCADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000416999703 489638078 /nfs/dbraw/zinc/63/80/78/489638078.db2.gz QMFZLLFHXIHZGH-QGZVFWFLSA-N 2 1 361.490 0.712 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000416999136 489638175 /nfs/dbraw/zinc/63/81/75/489638175.db2.gz QFSAMFSYQLFHHL-QGZVFWFLSA-N 2 1 361.490 0.930 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCC[C@@H](C)C1 ZINC000417027557 489639414 /nfs/dbraw/zinc/63/94/14/489639414.db2.gz ZXXZIHRLJFYTSW-OWCLPIDISA-N 2 1 353.511 0.603 20 0 FCADMP COCC[NH2+]CCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417047680 489639842 /nfs/dbraw/zinc/63/98/42/489639842.db2.gz DLJXMBSLQLYXLP-UHFFFAOYSA-N 2 1 367.469 0.483 20 0 FCADMP C[NH+](C)CC(C)(C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000457215583 489640244 /nfs/dbraw/zinc/64/02/44/489640244.db2.gz ZMBLLMIAQCYSEH-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417238992 489645523 /nfs/dbraw/zinc/64/55/23/489645523.db2.gz NDLUBJDBLYNGSI-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362055 489649305 /nfs/dbraw/zinc/64/93/05/489649305.db2.gz DIXCMVRKEARCFD-DLBZAZTESA-N 2 1 360.506 0.972 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000417367402 489649801 /nfs/dbraw/zinc/64/98/01/489649801.db2.gz MHOFLMLBDGJFTL-KRWDZBQOSA-N 2 1 360.506 0.893 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000417391300 489651213 /nfs/dbraw/zinc/65/12/13/489651213.db2.gz RKOXEJZSBIUWMY-HNNXBMFYSA-N 2 1 370.448 0.875 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)N1CCOCC1 ZINC000457618311 489651283 /nfs/dbraw/zinc/65/12/83/489651283.db2.gz ZWEXKCJZCPKYNM-SJORKVTESA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)N1CCOCC1 ZINC000457618311 489651285 /nfs/dbraw/zinc/65/12/85/489651285.db2.gz ZWEXKCJZCPKYNM-SJORKVTESA-N 2 1 356.511 0.441 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417425996 489651467 /nfs/dbraw/zinc/65/14/67/489651467.db2.gz FNWNZTRKNSXSBO-TWMKSMIVSA-N 2 1 365.522 0.616 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)N1CCOCC1 ZINC000457609521 489651677 /nfs/dbraw/zinc/65/16/77/489651677.db2.gz UEABTILFUMHWIN-BBWFWOEESA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)N1CCOCC1 ZINC000457609521 489651680 /nfs/dbraw/zinc/65/16/80/489651680.db2.gz UEABTILFUMHWIN-BBWFWOEESA-N 2 1 356.511 0.440 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417436224 489653470 /nfs/dbraw/zinc/65/34/70/489653470.db2.gz ZNDKBLUWZNFWHD-CRAIPNDOSA-N 2 1 353.511 0.618 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449958 489654651 /nfs/dbraw/zinc/65/46/51/489654651.db2.gz YYQYXNXCVJLDPL-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417557380 489658390 /nfs/dbraw/zinc/65/83/90/489658390.db2.gz BLAQJRZACGUPEQ-GDBMZVCRSA-N 2 1 364.494 0.857 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582721 489658731 /nfs/dbraw/zinc/65/87/31/489658731.db2.gz JFDFSSLUYKBHEK-KGLIPLIRSA-N 2 1 365.444 0.996 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000417669052 489660861 /nfs/dbraw/zinc/66/08/61/489660861.db2.gz KRBLRGJLLCKAHE-ULQDDVLXSA-N 2 1 356.511 0.801 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417674513 489661054 /nfs/dbraw/zinc/66/10/54/489661054.db2.gz ZPWCPLSFQCUAEI-IRXDYDNUSA-N 2 1 355.527 0.328 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000428709765 489661908 /nfs/dbraw/zinc/66/19/08/489661908.db2.gz QYAAXEZZDMAGHT-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417750484 489664087 /nfs/dbraw/zinc/66/40/87/489664087.db2.gz XGZKPHUJQFMTLW-UONOGXRCSA-N 2 1 370.448 0.874 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000417847209 489668558 /nfs/dbraw/zinc/66/85/58/489668558.db2.gz AGUDAUYCKRPGNN-FMKPAKJESA-N 2 1 351.495 0.641 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417864012 489668849 /nfs/dbraw/zinc/66/88/49/489668849.db2.gz AWQRFEUMTISDOG-BMFZPTHFSA-N 2 1 351.495 0.498 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910189 489670637 /nfs/dbraw/zinc/67/06/37/489670637.db2.gz JKIKQHZIOIQPKV-DLBZAZTESA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910190 489670647 /nfs/dbraw/zinc/67/06/47/489670647.db2.gz JKIKQHZIOIQPKV-IAGOWNOFSA-N 2 1 367.538 0.851 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000563804477 491270177 /nfs/dbraw/zinc/27/01/77/491270177.db2.gz OJVLPDNXUCEYMF-YVSFHVDLSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000563804477 491270178 /nfs/dbraw/zinc/27/01/78/491270178.db2.gz OJVLPDNXUCEYMF-YVSFHVDLSA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417945816 489673015 /nfs/dbraw/zinc/67/30/15/489673015.db2.gz XXTPIGKNMOICCO-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000555747159 491270539 /nfs/dbraw/zinc/27/05/39/491270539.db2.gz REVXEHUTHJEXOI-UHFFFAOYSA-N 2 1 358.486 0.919 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418179055 489682809 /nfs/dbraw/zinc/68/28/09/489682809.db2.gz GAXNDKCPOWZINN-JKSUJKDBSA-N 2 1 353.511 0.890 20 0 FCADMP C[NH+](C)CCCC(C)(C)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458427147 489682952 /nfs/dbraw/zinc/68/29/52/489682952.db2.gz NUIQSXXIHRQBHZ-OAHLLOKOSA-N 2 1 355.527 0.993 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000418189198 489683826 /nfs/dbraw/zinc/68/38/26/489683826.db2.gz VBZRCQJBFYZJMK-XSLAGTTESA-N 2 1 362.474 0.328 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000418189198 489683828 /nfs/dbraw/zinc/68/38/28/489683828.db2.gz VBZRCQJBFYZJMK-XSLAGTTESA-N 2 1 362.474 0.328 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418243559 489686084 /nfs/dbraw/zinc/68/60/84/489686084.db2.gz RLICWBOHSCNCMR-UNEWFSDZSA-N 2 1 353.511 0.661 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273678 489687108 /nfs/dbraw/zinc/68/71/08/489687108.db2.gz BXBJVVVYXKUZSS-KBPBESRZSA-N 2 1 365.444 0.854 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429446083 489687805 /nfs/dbraw/zinc/68/78/05/489687805.db2.gz GMRVDUBFAGJAMK-CVEARBPZSA-N 2 1 364.556 0.545 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000418290139 489688805 /nfs/dbraw/zinc/68/88/05/489688805.db2.gz QLAAQYKNSWRHLZ-UHFFFAOYSA-N 2 1 365.547 0.913 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418359614 489693408 /nfs/dbraw/zinc/69/34/08/489693408.db2.gz ANMTYMCDFYKTQJ-IAGOWNOFSA-N 2 1 355.527 0.278 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418450024 489698749 /nfs/dbraw/zinc/69/87/49/489698749.db2.gz UDFQLPZEKLJRKU-MRXNPFEDSA-N 2 1 355.527 0.946 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418450024 489698754 /nfs/dbraw/zinc/69/87/54/489698754.db2.gz UDFQLPZEKLJRKU-MRXNPFEDSA-N 2 1 355.527 0.946 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000418608333 489709606 /nfs/dbraw/zinc/70/96/06/489709606.db2.gz YVEUUFQAGMMPJB-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418638372 489714121 /nfs/dbraw/zinc/71/41/21/489714121.db2.gz KROKZDXCIGHVMK-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459210809 489723072 /nfs/dbraw/zinc/72/30/72/489723072.db2.gz JLZHDNIZHDVSED-UHFFFAOYSA-N 2 1 368.522 0.995 20 0 FCADMP COC[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC[NH2+]1 ZINC000563875118 491274115 /nfs/dbraw/zinc/27/41/15/491274115.db2.gz OYHFMKNPJXTIOA-JFIYKMOQSA-N 2 1 354.495 0.698 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789949 489727526 /nfs/dbraw/zinc/72/75/26/489727526.db2.gz MHMKNKLBSOWJMS-IRXDYDNUSA-N 3 1 355.527 0.422 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000570928734 491274425 /nfs/dbraw/zinc/27/44/25/491274425.db2.gz NUQRROTYEBDMTB-IAGOWNOFSA-N 2 1 368.522 0.532 20 0 FCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000471056161 489729694 /nfs/dbraw/zinc/72/96/94/489729694.db2.gz IZNJBLNHPGASQT-LJQANCHMSA-N 2 1 362.474 0.650 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555809729 491274550 /nfs/dbraw/zinc/27/45/50/491274550.db2.gz SMPKDAMKHITCDP-KFWWJZLASA-N 2 1 356.511 0.447 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555809729 491274551 /nfs/dbraw/zinc/27/45/51/491274551.db2.gz SMPKDAMKHITCDP-KFWWJZLASA-N 2 1 356.511 0.447 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418825658 489741048 /nfs/dbraw/zinc/74/10/48/489741048.db2.gz AOJXSRCOKMLZRI-GDBMZVCRSA-N 2 1 362.474 0.530 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418828382 489742466 /nfs/dbraw/zinc/74/24/66/489742466.db2.gz HVPLIAZBZHKSBO-CVEARBPZSA-N 2 1 366.506 0.524 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418828384 489742709 /nfs/dbraw/zinc/74/27/09/489742709.db2.gz HVPLIAZBZHKSBO-HOTGVXAUSA-N 2 1 366.506 0.524 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418830150 489743585 /nfs/dbraw/zinc/74/35/85/489743585.db2.gz JMFPPWFLCGKTFD-OAHLLOKOSA-N 2 1 354.495 0.109 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000418833873 489745691 /nfs/dbraw/zinc/74/56/91/489745691.db2.gz NYEIOLUWQHFOIY-OAHLLOKOSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccco1 ZINC000418835466 489746700 /nfs/dbraw/zinc/74/67/00/489746700.db2.gz PPMIEIBWLULKRM-BBWFWOEESA-N 2 1 370.453 0.952 20 0 FCADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430578157 489748330 /nfs/dbraw/zinc/74/83/30/489748330.db2.gz DPKLXLORZNDXJA-CYBMUJFWSA-N 2 1 368.503 0.983 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)C(=O)N1CCCCC1 ZINC000430595034 489749773 /nfs/dbraw/zinc/74/97/73/489749773.db2.gz TUZIIDUBTPBPMB-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430603903 489750698 /nfs/dbraw/zinc/75/06/98/489750698.db2.gz OGRUTVNONLVRGG-ZDUSSCGKSA-N 2 1 362.430 0.183 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430603903 489750700 /nfs/dbraw/zinc/75/07/00/489750700.db2.gz OGRUTVNONLVRGG-ZDUSSCGKSA-N 2 1 362.430 0.183 20 0 FCADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430607045 489751538 /nfs/dbraw/zinc/75/15/38/489751538.db2.gz XAWSPLZUHVWDNG-AWEZNQCLSA-N 2 1 361.446 0.370 20 0 FCADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430607045 489751542 /nfs/dbraw/zinc/75/15/42/489751542.db2.gz XAWSPLZUHVWDNG-AWEZNQCLSA-N 2 1 361.446 0.370 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430612882 489753688 /nfs/dbraw/zinc/75/36/88/489753688.db2.gz UOWAWBAMAOKUFK-ZDUSSCGKSA-N 2 1 368.428 0.410 20 0 FCADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613943 489753836 /nfs/dbraw/zinc/75/38/36/489753836.db2.gz XVJGQXQBSNYIBY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618294 489754735 /nfs/dbraw/zinc/75/47/35/489754735.db2.gz SOFXRLAWFRVHLA-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430619531 489755157 /nfs/dbraw/zinc/75/51/57/489755157.db2.gz GFVRXCZUJNYXJK-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000418849769 489755695 /nfs/dbraw/zinc/75/56/95/489755695.db2.gz NGKWQVPILHSOMV-DZKIICNBSA-N 2 1 362.474 0.610 20 0 FCADMP [NH3+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000418849052 489755851 /nfs/dbraw/zinc/75/58/51/489755851.db2.gz AHZGDXXAJIHSOC-HNNXBMFYSA-N 2 1 352.866 0.886 20 0 FCADMP [NH3+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000418849052 489755853 /nfs/dbraw/zinc/75/58/53/489755853.db2.gz AHZGDXXAJIHSOC-HNNXBMFYSA-N 2 1 352.866 0.886 20 0 FCADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430629549 489757866 /nfs/dbraw/zinc/75/78/66/489757866.db2.gz OOPHOKNBKQZHAE-HUUCEWRRSA-N 2 1 365.478 1.267 20 0 FCADMP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632074 489758943 /nfs/dbraw/zinc/75/89/43/489758943.db2.gz WUUJPWTWFASVIS-ZDUSSCGKSA-N 2 1 366.428 0.820 20 0 FCADMP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632074 489758944 /nfs/dbraw/zinc/75/89/44/489758944.db2.gz WUUJPWTWFASVIS-ZDUSSCGKSA-N 2 1 366.428 0.820 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000418855429 489759557 /nfs/dbraw/zinc/75/95/57/489759557.db2.gz DHCQIIKSGONBEP-JKSUJKDBSA-N 2 1 368.522 0.579 20 0 FCADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430637223 489760093 /nfs/dbraw/zinc/76/00/93/489760093.db2.gz BZACWZSKKAVBIU-MRXNPFEDSA-N 2 1 362.474 0.236 20 0 FCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642069 489760507 /nfs/dbraw/zinc/76/05/07/489760507.db2.gz UPCSMQVGOUPZIQ-CHWSQXEVSA-N 2 1 362.430 0.529 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1 ZINC000418858839 489761390 /nfs/dbraw/zinc/76/13/90/489761390.db2.gz KFTCFAUYALRDDY-CQSZACIVSA-N 2 1 356.417 0.896 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418861102 489762950 /nfs/dbraw/zinc/76/29/50/489762950.db2.gz MLZNVINPUHJKBU-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376630011 489764139 /nfs/dbraw/zinc/76/41/39/489764139.db2.gz UUFNCXLUWHLNGT-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430711233 489765833 /nfs/dbraw/zinc/76/58/33/489765833.db2.gz DQZZUUSKGSGKPD-SFHVURJKSA-N 2 1 362.474 0.754 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418866579 489766266 /nfs/dbraw/zinc/76/62/66/489766266.db2.gz OBBJMPAOLSADHS-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP CCc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000418871336 489768089 /nfs/dbraw/zinc/76/80/89/489768089.db2.gz ZSAADGKVDYOINY-AWEZNQCLSA-N 2 1 356.417 0.678 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418881846 489773551 /nfs/dbraw/zinc/77/35/51/489773551.db2.gz RQWXKIORBNLARC-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430874898 489774649 /nfs/dbraw/zinc/77/46/49/489774649.db2.gz JACOWGALOKZFIU-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1C ZINC000430920978 489777149 /nfs/dbraw/zinc/77/71/49/489777149.db2.gz WUGMJOORMUSNDZ-ZDUSSCGKSA-N 2 1 368.503 0.949 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000430924391 489777644 /nfs/dbraw/zinc/77/76/44/489777644.db2.gz HXAFXVNCBLCCMF-UHFFFAOYSA-N 2 1 354.401 0.951 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000459917931 489791705 /nfs/dbraw/zinc/79/17/05/489791705.db2.gz KHXDBWSTICVVTE-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000459917927 489791952 /nfs/dbraw/zinc/79/19/52/489791952.db2.gz KHXDBWSTICVVTE-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000418919724 489792276 /nfs/dbraw/zinc/79/22/76/489792276.db2.gz KIBWDGZSALEAID-HNNXBMFYSA-N 2 1 354.495 0.237 20 0 FCADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491133198 489795926 /nfs/dbraw/zinc/79/59/26/489795926.db2.gz JYMAERASTSVTBQ-KRWDZBQOSA-N 2 1 363.506 0.931 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000418936042 489796179 /nfs/dbraw/zinc/79/61/79/489796179.db2.gz BECSEQNJZOJAOM-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000431280879 489799211 /nfs/dbraw/zinc/79/92/11/489799211.db2.gz CQMGUTGRJTYOIE-HOTGVXAUSA-N 2 1 365.522 0.903 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298273 489799739 /nfs/dbraw/zinc/79/97/39/489799739.db2.gz TVYYDTYQQSAQBA-DOTOQJQBSA-N 2 1 365.522 0.761 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418950147 489801148 /nfs/dbraw/zinc/80/11/48/489801148.db2.gz VTFGAOPIHCKIKU-OKZBNKHCSA-N 2 1 358.486 0.739 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000431373688 489803745 /nfs/dbraw/zinc/80/37/45/489803745.db2.gz CXPOANDFRXSNIE-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459997186 489812767 /nfs/dbraw/zinc/81/27/67/489812767.db2.gz SIZNQBWBISPAKX-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000460001572 489814796 /nfs/dbraw/zinc/81/47/96/489814796.db2.gz YZUURTCLRYSDEY-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419021348 489820417 /nfs/dbraw/zinc/82/04/17/489820417.db2.gz GXXSTLIRLUWJHH-QKPAOTATSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419023156 489821313 /nfs/dbraw/zinc/82/13/13/489821313.db2.gz JFJVFYPTBLZTRB-BQJWPVKWSA-N 2 1 352.523 0.973 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023858 489821466 /nfs/dbraw/zinc/82/14/66/489821466.db2.gz KASPDQOFQNPGTE-HZPDHXFCSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419023060 489821674 /nfs/dbraw/zinc/82/16/74/489821674.db2.gz IZFHBDGRLQBCBZ-QRJUGERDSA-N 2 1 368.522 0.698 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000492275595 489823147 /nfs/dbraw/zinc/82/31/47/489823147.db2.gz XOVSWOFODINJLG-HNNXBMFYSA-N 2 1 371.551 0.277 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000492275595 489823151 /nfs/dbraw/zinc/82/31/51/489823151.db2.gz XOVSWOFODINJLG-HNNXBMFYSA-N 2 1 371.551 0.277 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000419034471 489827326 /nfs/dbraw/zinc/82/73/26/489827326.db2.gz ZRCRGXMCXZACSR-AWEZNQCLSA-N 2 1 359.405 0.804 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419034022 489827423 /nfs/dbraw/zinc/82/74/23/489827423.db2.gz YYECRCSKLMMUCB-BQJWPVKWSA-N 2 1 352.523 0.912 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)[C@@H](C)C1 ZINC000419034754 489827676 /nfs/dbraw/zinc/82/76/76/489827676.db2.gz DWBMIXXDNYCRES-ULQDDVLXSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000419040142 489830031 /nfs/dbraw/zinc/83/00/31/489830031.db2.gz MDHSTXUGNMSKEK-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049110 489835262 /nfs/dbraw/zinc/83/52/62/489835262.db2.gz WWRMSDXQDMUFCZ-GXTWGEPZSA-N 2 1 354.401 0.648 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049110 489835264 /nfs/dbraw/zinc/83/52/64/489835264.db2.gz WWRMSDXQDMUFCZ-GXTWGEPZSA-N 2 1 354.401 0.648 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419058189 489838130 /nfs/dbraw/zinc/83/81/30/489838130.db2.gz BIBOJEDTZYYAHF-KBXIAJHMSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000419058189 489838133 /nfs/dbraw/zinc/83/81/33/489838133.db2.gz BIBOJEDTZYYAHF-KBXIAJHMSA-N 2 1 354.495 0.247 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060749 489839305 /nfs/dbraw/zinc/83/93/05/489839305.db2.gz FNJVVBHPCQRJSJ-QLFBSQMISA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060749 489839308 /nfs/dbraw/zinc/83/93/08/489839308.db2.gz FNJVVBHPCQRJSJ-QLFBSQMISA-N 2 1 356.511 0.480 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000460065106 489839940 /nfs/dbraw/zinc/83/99/40/489839940.db2.gz PZUIRDYTYHHLAK-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419063630 489841027 /nfs/dbraw/zinc/84/10/27/489841027.db2.gz HTLCETKFCHJAQR-XHSDSOJGSA-N 2 1 370.538 0.822 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419063630 489841030 /nfs/dbraw/zinc/84/10/30/489841030.db2.gz HTLCETKFCHJAQR-XHSDSOJGSA-N 2 1 370.538 0.822 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419065966 489842183 /nfs/dbraw/zinc/84/21/83/489842183.db2.gz DSZDDVIXRFEJFE-CRAIPNDOSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419065966 489842188 /nfs/dbraw/zinc/84/21/88/489842188.db2.gz DSZDDVIXRFEJFE-CRAIPNDOSA-N 2 1 374.485 0.473 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000460072826 489843047 /nfs/dbraw/zinc/84/30/47/489843047.db2.gz ZXAVWHPQWGEWOH-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@H+]1C ZINC000460072826 489843051 /nfs/dbraw/zinc/84/30/51/489843051.db2.gz ZXAVWHPQWGEWOH-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419070952 489844553 /nfs/dbraw/zinc/84/45/53/489844553.db2.gz KXJJQWLXKNRVNJ-HNNXBMFYSA-N 2 1 362.474 0.249 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419070952 489844556 /nfs/dbraw/zinc/84/45/56/489844556.db2.gz KXJJQWLXKNRVNJ-HNNXBMFYSA-N 2 1 362.474 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419081546 489849302 /nfs/dbraw/zinc/84/93/02/489849302.db2.gz ICHQVDZTJZIUQA-ZNMIVQPWSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419081546 489849304 /nfs/dbraw/zinc/84/93/04/489849304.db2.gz ICHQVDZTJZIUQA-ZNMIVQPWSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419086959 489851380 /nfs/dbraw/zinc/85/13/80/489851380.db2.gz OUXQPCLNIFCNKV-QXSJWSMHSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419086959 489851381 /nfs/dbraw/zinc/85/13/81/489851381.db2.gz OUXQPCLNIFCNKV-QXSJWSMHSA-N 2 1 368.522 0.576 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]c1 ZINC000419088239 489851630 /nfs/dbraw/zinc/85/16/30/489851630.db2.gz BDLUWZCSGQVFQZ-ARFHVFGLSA-N 2 1 359.474 0.813 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419089963 489852530 /nfs/dbraw/zinc/85/25/30/489852530.db2.gz URUABXLMOYJUSG-ZNMIVQPWSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419089963 489852536 /nfs/dbraw/zinc/85/25/36/489852536.db2.gz URUABXLMOYJUSG-ZNMIVQPWSA-N 2 1 354.495 0.106 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000460265761 489860614 /nfs/dbraw/zinc/86/06/14/489860614.db2.gz ZEMCFGBMSIVQEB-RYRKJORJSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@H](C)C1 ZINC000460265761 489860617 /nfs/dbraw/zinc/86/06/17/489860617.db2.gz ZEMCFGBMSIVQEB-RYRKJORJSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000460265761 489860621 /nfs/dbraw/zinc/86/06/21/489860621.db2.gz ZEMCFGBMSIVQEB-RYRKJORJSA-N 2 1 356.511 0.489 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419113450 489860820 /nfs/dbraw/zinc/86/08/20/489860820.db2.gz GWKXOJUYTPBISK-JKSUJKDBSA-N 2 1 354.495 0.093 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419115562 489861829 /nfs/dbraw/zinc/86/18/29/489861829.db2.gz JXBQBFSKFWHAOS-HOCLYGCPSA-N 2 1 354.495 0.047 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CCSC1 ZINC000493946523 489863777 /nfs/dbraw/zinc/86/37/77/489863777.db2.gz DLKUFGJPNGSCDK-GJZGRUSLSA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCSC1 ZINC000493946523 489863783 /nfs/dbraw/zinc/86/37/83/489863783.db2.gz DLKUFGJPNGSCDK-GJZGRUSLSA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CCSC1 ZINC000493946523 489863788 /nfs/dbraw/zinc/86/37/88/489863788.db2.gz DLKUFGJPNGSCDK-GJZGRUSLSA-N 2 1 354.520 0.189 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419120587 489865466 /nfs/dbraw/zinc/86/54/66/489865466.db2.gz QTOTUOWBOXGUCL-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419121918 489865986 /nfs/dbraw/zinc/86/59/86/489865986.db2.gz SJOFHQZMSVIJDI-KRWDZBQOSA-N 2 1 366.506 0.276 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419125106 489868843 /nfs/dbraw/zinc/86/88/43/489868843.db2.gz ZDJWUSOZUXETJQ-HZPDHXFCSA-N 2 1 356.511 0.339 20 0 FCADMP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000433165446 489869452 /nfs/dbraw/zinc/86/94/52/489869452.db2.gz URMVMFMOGXXNRG-KRWDZBQOSA-N 2 1 352.523 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433173015 489870030 /nfs/dbraw/zinc/87/00/30/489870030.db2.gz IUGWTXIGBVPJRI-UHFFFAOYSA-N 3 1 367.538 0.297 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420005218 489879255 /nfs/dbraw/zinc/87/92/55/489879255.db2.gz WFHRBDOGPROCJG-MRXNPFEDSA-N 2 1 359.474 0.545 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420010636 489880911 /nfs/dbraw/zinc/88/09/11/489880911.db2.gz FRHSUKJVHPNTFW-YESZJQIVSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020280 489883371 /nfs/dbraw/zinc/88/33/71/489883371.db2.gz FBRGOAMOFKOWJA-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000433449839 489884221 /nfs/dbraw/zinc/88/42/21/489884221.db2.gz JGTQKLCKQIBBGB-KRWDZBQOSA-N 2 1 370.538 0.976 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCO1 ZINC000433449839 489884225 /nfs/dbraw/zinc/88/42/25/489884225.db2.gz JGTQKLCKQIBBGB-KRWDZBQOSA-N 2 1 370.538 0.976 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCO1 ZINC000433449839 489884229 /nfs/dbraw/zinc/88/42/29/489884229.db2.gz JGTQKLCKQIBBGB-KRWDZBQOSA-N 2 1 370.538 0.976 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000420026467 489884826 /nfs/dbraw/zinc/88/48/26/489884826.db2.gz JLPKREKUANNHOC-HNNXBMFYSA-N 2 1 354.454 0.947 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420043311 489891720 /nfs/dbraw/zinc/89/17/20/489891720.db2.gz RSAHSIMEDJIUAO-KKUMJFAQSA-N 2 1 354.495 0.548 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420043313 489891746 /nfs/dbraw/zinc/89/17/46/489891746.db2.gz RSAHSIMEDJIUAO-SOUVJXGZSA-N 2 1 354.495 0.548 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608758 489893021 /nfs/dbraw/zinc/89/30/21/489893021.db2.gz LPTUGCWJQCPXEI-NVXWUHKLSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433608758 489893027 /nfs/dbraw/zinc/89/30/27/489893027.db2.gz LPTUGCWJQCPXEI-NVXWUHKLSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433608758 489893031 /nfs/dbraw/zinc/89/30/31/489893031.db2.gz LPTUGCWJQCPXEI-NVXWUHKLSA-N 2 1 365.522 0.890 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420052129 489894501 /nfs/dbraw/zinc/89/45/01/489894501.db2.gz COTBTMNOBINSMW-SFHVURJKSA-N 2 1 373.501 0.121 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000420064598 489899967 /nfs/dbraw/zinc/89/99/67/489899967.db2.gz OUOIKUHSKIYRIL-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000420064598 489899971 /nfs/dbraw/zinc/89/99/71/489899971.db2.gz OUOIKUHSKIYRIL-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420064472 489900283 /nfs/dbraw/zinc/90/02/83/489900283.db2.gz OWMLFCIZTYAYNP-VKJFTORMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420064472 489900285 /nfs/dbraw/zinc/90/02/85/489900285.db2.gz OWMLFCIZTYAYNP-VKJFTORMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420066652 489900978 /nfs/dbraw/zinc/90/09/78/489900978.db2.gz RPHQKGBOESPDND-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420073063 489903452 /nfs/dbraw/zinc/90/34/52/489903452.db2.gz XYEMBVVXKDKGQE-HLLBOEOZSA-N 2 1 366.506 0.332 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086211 489907182 /nfs/dbraw/zinc/90/71/82/489907182.db2.gz CMEJERZZGKUCPH-UHFFFAOYSA-N 2 1 373.501 0.265 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000420097460 489911036 /nfs/dbraw/zinc/91/10/36/489911036.db2.gz CEYCBDGUTVNWIS-OAQYLSRUSA-N 2 1 372.513 0.879 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107352 489914873 /nfs/dbraw/zinc/91/48/73/489914873.db2.gz VZLKVVMDGDPWTJ-AWEZNQCLSA-N 2 1 374.485 0.210 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107352 489914877 /nfs/dbraw/zinc/91/48/77/489914877.db2.gz VZLKVVMDGDPWTJ-AWEZNQCLSA-N 2 1 374.485 0.210 20 0 FCADMP CN(CCC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377528480 489915217 /nfs/dbraw/zinc/91/52/17/489915217.db2.gz REWFIBCPPZQLGB-QGZVFWFLSA-N 2 1 350.511 0.731 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420111945 489916738 /nfs/dbraw/zinc/91/67/38/489916738.db2.gz XFNUQVYYVHGLLN-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420111945 489916741 /nfs/dbraw/zinc/91/67/41/489916741.db2.gz XFNUQVYYVHGLLN-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000377560040 489919729 /nfs/dbraw/zinc/91/97/29/489919729.db2.gz FRFKEIUQXNMOLZ-TVFCKZIOSA-N 2 1 352.523 0.626 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000377576802 489924055 /nfs/dbraw/zinc/92/40/55/489924055.db2.gz GFNBHXZDOODTID-IRXDYDNUSA-N 2 1 354.495 0.650 20 0 FCADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420150980 489932097 /nfs/dbraw/zinc/93/20/97/489932097.db2.gz MABBXJZMWURQRP-UHFFFAOYSA-N 2 1 368.428 0.820 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000477033345 489933673 /nfs/dbraw/zinc/93/36/73/489933673.db2.gz MKMXPCUEKOSAEH-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420163943 489936912 /nfs/dbraw/zinc/93/69/12/489936912.db2.gz LLHFZZBKNUQNNH-OWCLPIDISA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000477069431 489939161 /nfs/dbraw/zinc/93/91/61/489939161.db2.gz QYYLITJHDUJRRM-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420207296 489953000 /nfs/dbraw/zinc/95/30/00/489953000.db2.gz UGADWZSMYUSETN-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000377802004 489959981 /nfs/dbraw/zinc/95/99/81/489959981.db2.gz DQRYYJFYSFOJKU-BSDSXHPESA-N 2 1 353.507 0.912 20 0 FCADMP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420305354 489962013 /nfs/dbraw/zinc/96/20/13/489962013.db2.gz YVZYHHSCSWWISB-CQSZACIVSA-N 2 1 362.430 0.199 20 0 FCADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420305354 489962016 /nfs/dbraw/zinc/96/20/16/489962016.db2.gz YVZYHHSCSWWISB-CQSZACIVSA-N 2 1 362.430 0.199 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329220 489963705 /nfs/dbraw/zinc/96/37/05/489963705.db2.gz OCANHMFSNHPMRG-ZIAGYGMSSA-N 2 1 363.462 0.857 20 0 FCADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1ccc2c(c1)OCO2 ZINC000420343837 489965907 /nfs/dbraw/zinc/96/59/07/489965907.db2.gz RURSZGZGCAZVFS-GASCZTMLSA-N 2 1 361.442 0.842 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349296 489966720 /nfs/dbraw/zinc/96/67/20/489966720.db2.gz OJOBBXLEHBDTNW-CRAIPNDOSA-N 2 1 374.485 0.457 20 0 FCADMP CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)S(C)(=O)=O ZINC000420362906 489967881 /nfs/dbraw/zinc/96/78/81/489967881.db2.gz NGPQEGGVDNZADC-CQSZACIVSA-N 2 1 362.540 0.140 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373804 489968826 /nfs/dbraw/zinc/96/88/26/489968826.db2.gz NGWMVYBKGMRXKS-HKUYNNGSSA-N 2 1 352.523 0.535 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420383312 489969327 /nfs/dbraw/zinc/96/93/27/489969327.db2.gz SSFLBXHGPJIUNB-JTDSTZFVSA-N 2 1 360.502 0.803 20 0 FCADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396799 489971326 /nfs/dbraw/zinc/97/13/26/489971326.db2.gz DTFBBKWZIQQOMQ-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396799 489971328 /nfs/dbraw/zinc/97/13/28/489971328.db2.gz DTFBBKWZIQQOMQ-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000477613335 489977260 /nfs/dbraw/zinc/97/72/60/489977260.db2.gz HDXZRMNVGQKIBQ-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000477613335 489977263 /nfs/dbraw/zinc/97/72/63/489977263.db2.gz HDXZRMNVGQKIBQ-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000477617026 489977562 /nfs/dbraw/zinc/97/75/62/489977562.db2.gz QAYIUUJOLZDDAR-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619549 489978226 /nfs/dbraw/zinc/97/82/26/489978226.db2.gz YJDUYWSCFRGOPR-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000477639119 489980480 /nfs/dbraw/zinc/98/04/80/489980480.db2.gz DRRGFQZJGKTRSW-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000435474519 490002621 /nfs/dbraw/zinc/00/26/21/490002621.db2.gz WVZPTKAGHSKSNM-CVEARBPZSA-N 2 1 361.446 0.584 20 0 FCADMP COc1nc(N(C)C[C@H]2CCC[N@H+]2C)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420630946 490002907 /nfs/dbraw/zinc/00/29/07/490002907.db2.gz FVXQEPZFEAABFE-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP COc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420630946 490002913 /nfs/dbraw/zinc/00/29/13/490002913.db2.gz FVXQEPZFEAABFE-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP COc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420630946 490002918 /nfs/dbraw/zinc/00/29/18/490002918.db2.gz FVXQEPZFEAABFE-GASCZTMLSA-N 2 1 363.510 0.941 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000436490820 490007735 /nfs/dbraw/zinc/00/77/35/490007735.db2.gz UYUOEJHPBGOZLP-UHFFFAOYSA-N 2 1 352.483 0.755 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000420770806 490021231 /nfs/dbraw/zinc/02/12/31/490021231.db2.gz QUNHNAWPFZTOSQ-HUUCEWRRSA-N 2 1 350.463 0.940 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000420770806 490021235 /nfs/dbraw/zinc/02/12/35/490021235.db2.gz QUNHNAWPFZTOSQ-HUUCEWRRSA-N 2 1 350.463 0.940 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000420840096 490025882 /nfs/dbraw/zinc/02/58/82/490025882.db2.gz NXQWBMNEWPSOOK-ZWKOTPCHSA-N 2 1 360.502 0.828 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044540 490050992 /nfs/dbraw/zinc/05/09/92/490050992.db2.gz XDNOGJCBYSBFOZ-HIFRSBDPSA-N 2 1 356.430 1.004 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202476 490074380 /nfs/dbraw/zinc/07/43/80/490074380.db2.gz QMJSEAFCDAZVRE-HOCLYGCPSA-N 2 1 350.438 0.572 20 0 FCADMP COCCN1C(=O)C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000465036210 490076155 /nfs/dbraw/zinc/07/61/55/490076155.db2.gz WZINBQATLUULEG-INIZCTEOSA-N 2 1 353.463 0.337 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000495438423 490076568 /nfs/dbraw/zinc/07/65/68/490076568.db2.gz GZRYJPHUEXBCIP-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000479337872 490083070 /nfs/dbraw/zinc/08/30/70/490083070.db2.gz RMSVNFCMSVKEAP-MRXNPFEDSA-N 2 1 367.538 0.995 20 0 FCADMP C[C@H]1[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@H+]1C ZINC000506433775 490092150 /nfs/dbraw/zinc/09/21/50/490092150.db2.gz ZPGXMQSCEHOQFL-MAUKXSAKSA-N 2 1 372.513 0.801 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727329 490102528 /nfs/dbraw/zinc/10/25/28/490102528.db2.gz WMARJORJUTWQJS-WMLDXEAASA-N 2 1 356.536 0.388 20 0 FCADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341686 491301972 /nfs/dbraw/zinc/30/19/72/491301972.db2.gz PSEWXEQTZZDNKE-MJGOQNOKSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341686 491301974 /nfs/dbraw/zinc/30/19/74/491301974.db2.gz PSEWXEQTZZDNKE-MJGOQNOKSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341686 491301975 /nfs/dbraw/zinc/30/19/75/491301975.db2.gz PSEWXEQTZZDNKE-MJGOQNOKSA-N 2 1 350.459 0.742 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000564350899 491303067 /nfs/dbraw/zinc/30/30/67/491303067.db2.gz UPELDLDCGMHODV-AESZEHBQSA-N 2 1 374.489 0.840 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000465919294 490153761 /nfs/dbraw/zinc/15/37/61/490153761.db2.gz AJAJVUUSTRKCDJ-SFHVURJKSA-N 2 1 369.554 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000465960109 490158143 /nfs/dbraw/zinc/15/81/43/490158143.db2.gz VGBLAMSQXZDBNL-IAGOWNOFSA-N 2 1 365.522 0.844 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422107992 490160065 /nfs/dbraw/zinc/16/00/65/490160065.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422107992 490160073 /nfs/dbraw/zinc/16/00/73/490160073.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422107992 490160077 /nfs/dbraw/zinc/16/00/77/490160077.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422107992 490160082 /nfs/dbraw/zinc/16/00/82/490160082.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422107992 490160088 /nfs/dbraw/zinc/16/00/88/490160088.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)CN1CC[NH+](C)CC1 ZINC000466130776 490167913 /nfs/dbraw/zinc/16/79/13/490167913.db2.gz JBZHZGSLGLTKPC-MSOLQXFVSA-N 2 1 369.554 0.262 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000422114517 490167765 /nfs/dbraw/zinc/16/77/65/490167765.db2.gz IXOLHGXJIWIGBK-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000422114517 490167771 /nfs/dbraw/zinc/16/77/71/490167771.db2.gz IXOLHGXJIWIGBK-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000422126880 490178159 /nfs/dbraw/zinc/17/81/59/490178159.db2.gz XHERRUPVGZLLAB-OAHLLOKOSA-N 2 1 350.463 0.722 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242595 491305331 /nfs/dbraw/zinc/30/53/31/491305331.db2.gz RADVWKCVRSNICT-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248456 491306042 /nfs/dbraw/zinc/30/60/42/491306042.db2.gz ZZHWFBQXTRLERC-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556248456 491306045 /nfs/dbraw/zinc/30/60/45/491306045.db2.gz ZZHWFBQXTRLERC-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556248456 491306047 /nfs/dbraw/zinc/30/60/47/491306047.db2.gz ZZHWFBQXTRLERC-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000533242962 490200717 /nfs/dbraw/zinc/20/07/17/490200717.db2.gz NALKMUBAMXRARK-ZDUSSCGKSA-N 2 1 368.503 0.935 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000480637103 490219190 /nfs/dbraw/zinc/21/91/90/490219190.db2.gz AWKWHQJYMHYSLG-DOMZBBRYSA-N 2 1 357.524 0.823 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)nc(C)[nH+]1 ZINC000408032799 490219334 /nfs/dbraw/zinc/21/93/34/490219334.db2.gz CGHZQVGIUPFRRV-KRWDZBQOSA-N 2 1 358.490 0.568 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)nc(C)[nH+]1 ZINC000408032799 490219342 /nfs/dbraw/zinc/21/93/42/490219342.db2.gz CGHZQVGIUPFRRV-KRWDZBQOSA-N 2 1 358.490 0.568 20 0 FCADMP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000521075052 490221823 /nfs/dbraw/zinc/22/18/23/490221823.db2.gz NRFAYVCYODMCMK-QFBILLFUSA-N 2 1 368.522 0.452 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@H](C[NH3+])OC)CC2 ZINC000447436743 490235622 /nfs/dbraw/zinc/23/56/22/490235622.db2.gz XKITXPFYMUJWCJ-OAHLLOKOSA-N 2 1 351.447 0.542 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@H](C[NH3+])OC)CC2 ZINC000447436743 490235628 /nfs/dbraw/zinc/23/56/28/490235628.db2.gz XKITXPFYMUJWCJ-OAHLLOKOSA-N 2 1 351.447 0.542 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000521217743 490237316 /nfs/dbraw/zinc/23/73/16/490237316.db2.gz WVYCEUFFUKLMLD-ZBFHGGJFSA-N 2 1 362.474 0.611 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000521217741 490237578 /nfs/dbraw/zinc/23/75/78/490237578.db2.gz WVYCEUFFUKLMLD-GOEBONIOSA-N 2 1 362.474 0.611 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000571467367 491310127 /nfs/dbraw/zinc/31/01/27/491310127.db2.gz VWYVZFHAHVLESZ-INIZCTEOSA-N 2 1 362.474 0.625 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000571467367 491310129 /nfs/dbraw/zinc/31/01/29/491310129.db2.gz VWYVZFHAHVLESZ-INIZCTEOSA-N 2 1 362.474 0.625 20 0 FCADMP COC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000571521015 491312984 /nfs/dbraw/zinc/31/29/84/491312984.db2.gz PNRAAARIGVTBHI-YLJYHZDGSA-N 2 1 360.502 0.939 20 0 FCADMP C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC([NH3+])C1 ZINC000571522109 491313031 /nfs/dbraw/zinc/31/30/31/491313031.db2.gz ZYVNFXSBJOILHC-UHFFFAOYSA-N 2 1 369.487 0.508 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C ZINC000498236651 490275913 /nfs/dbraw/zinc/27/59/13/490275913.db2.gz AFOVMIQDDXDVAZ-HUUCEWRRSA-N 2 1 353.511 0.663 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C ZINC000498236651 490275918 /nfs/dbraw/zinc/27/59/18/490275918.db2.gz AFOVMIQDDXDVAZ-HUUCEWRRSA-N 2 1 353.511 0.663 20 0 FCADMP COC[C@]1(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC[NH2+]C1 ZINC000564564875 491313994 /nfs/dbraw/zinc/31/39/94/491313994.db2.gz RXAZKKUUVCMVPH-FQEVSTJZSA-N 2 1 374.485 0.915 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000422379271 490287972 /nfs/dbraw/zinc/28/79/72/490287972.db2.gz NUCMJYAYDSDULH-SJORKVTESA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000422379271 490287976 /nfs/dbraw/zinc/28/79/76/490287976.db2.gz NUCMJYAYDSDULH-SJORKVTESA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000422379271 490287980 /nfs/dbraw/zinc/28/79/80/490287980.db2.gz NUCMJYAYDSDULH-SJORKVTESA-N 2 1 368.522 0.545 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456082 490330394 /nfs/dbraw/zinc/33/03/94/490330394.db2.gz PWYKCDNQNYRKIL-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000422456082 490330399 /nfs/dbraw/zinc/33/03/99/490330399.db2.gz PWYKCDNQNYRKIL-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000422456082 490330405 /nfs/dbraw/zinc/33/04/05/490330405.db2.gz PWYKCDNQNYRKIL-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@]1(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707770 490333701 /nfs/dbraw/zinc/33/37/01/490333701.db2.gz USFHBEGRLNILPH-HKUYNNGSSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000534266575 490338919 /nfs/dbraw/zinc/33/89/19/490338919.db2.gz NEOYOJCKYXBMAY-LJQANCHMSA-N 2 1 357.502 0.762 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000534266575 490338925 /nfs/dbraw/zinc/33/89/25/490338925.db2.gz NEOYOJCKYXBMAY-LJQANCHMSA-N 2 1 357.502 0.762 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000534266575 490338930 /nfs/dbraw/zinc/33/89/30/490338930.db2.gz NEOYOJCKYXBMAY-LJQANCHMSA-N 2 1 357.502 0.762 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000571633867 491320005 /nfs/dbraw/zinc/32/00/05/491320005.db2.gz DDRVSRSENYMSAD-ZWKOTPCHSA-N 2 1 356.470 0.541 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC000409626142 490356852 /nfs/dbraw/zinc/35/68/52/490356852.db2.gz QNKWDFMMLDWUKX-DLBZAZTESA-N 2 1 351.495 0.982 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000422493619 490359091 /nfs/dbraw/zinc/35/90/91/490359091.db2.gz YRMXDGZULPSIBW-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522445924 490378777 /nfs/dbraw/zinc/37/87/77/490378777.db2.gz ALFSFZRJUOVBJP-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CCCC1 ZINC000564717803 491322260 /nfs/dbraw/zinc/32/22/60/491322260.db2.gz ABWQTYGBLHLYQE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C1CCCC1 ZINC000564717803 491322262 /nfs/dbraw/zinc/32/22/62/491322262.db2.gz ABWQTYGBLHLYQE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C1CCCC1 ZINC000564717803 491322264 /nfs/dbraw/zinc/32/22/64/491322264.db2.gz ABWQTYGBLHLYQE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000468416166 490400633 /nfs/dbraw/zinc/40/06/33/490400633.db2.gz GWRFGHJZTYLODG-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000422548551 490403453 /nfs/dbraw/zinc/40/34/53/490403453.db2.gz ZGMCNZPFDPADIN-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000449820094 490429702 /nfs/dbraw/zinc/42/97/02/490429702.db2.gz UAZDKINKLGCIFI-KGZKIYMESA-N 2 1 360.502 0.574 20 0 FCADMP C[C@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449820094 490429712 /nfs/dbraw/zinc/42/97/12/490429712.db2.gz UAZDKINKLGCIFI-KGZKIYMESA-N 2 1 360.502 0.574 20 0 FCADMP C[C@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000449820094 490429719 /nfs/dbraw/zinc/42/97/19/490429719.db2.gz UAZDKINKLGCIFI-KGZKIYMESA-N 2 1 360.502 0.574 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000422633591 490436382 /nfs/dbraw/zinc/43/63/82/490436382.db2.gz IODPJAKIBQLIJX-VSZNYVQBSA-N 2 1 354.539 0.765 20 0 FCADMP CS[C@@H]1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000484626383 490449294 /nfs/dbraw/zinc/44/92/94/490449294.db2.gz ITMYNYFYULIZIQ-MDMSPXHWSA-N 2 1 357.564 0.968 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000509723795 490458576 /nfs/dbraw/zinc/45/85/76/490458576.db2.gz ZJWZSNIVLVTTIQ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000509723795 490458583 /nfs/dbraw/zinc/45/85/83/490458583.db2.gz ZJWZSNIVLVTTIQ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000509723795 490458585 /nfs/dbraw/zinc/45/85/85/490458585.db2.gz ZJWZSNIVLVTTIQ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000484757559 490464018 /nfs/dbraw/zinc/46/40/18/490464018.db2.gz PBCMUVYCDGGYLT-MWQQHZPXSA-N 2 1 364.442 0.902 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000509831472 490469582 /nfs/dbraw/zinc/46/95/82/490469582.db2.gz CBKWCCBYCJJWGL-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484912542 490477016 /nfs/dbraw/zinc/47/70/16/490477016.db2.gz FMIUPDJOYNIOIB-GZBFAFLISA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484912542 490477025 /nfs/dbraw/zinc/47/70/25/490477025.db2.gz FMIUPDJOYNIOIB-GZBFAFLISA-N 2 1 368.503 0.050 20 0 FCADMP [NH3+]CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000422819239 490481408 /nfs/dbraw/zinc/48/14/08/490481408.db2.gz MOTXWBYURQORHQ-HNNXBMFYSA-N 2 1 352.479 0.087 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972721 490485024 /nfs/dbraw/zinc/48/50/24/490485024.db2.gz OQKAGZZPFOFYJW-OCCSQVGLSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972721 490485031 /nfs/dbraw/zinc/48/50/31/490485031.db2.gz OQKAGZZPFOFYJW-OCCSQVGLSA-N 2 1 351.447 0.998 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000523676168 490485251 /nfs/dbraw/zinc/48/52/51/490485251.db2.gz FVQRPCXOTQMQGL-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000523676168 490485257 /nfs/dbraw/zinc/48/52/57/490485257.db2.gz FVQRPCXOTQMQGL-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000523676168 490485262 /nfs/dbraw/zinc/48/52/62/490485262.db2.gz FVQRPCXOTQMQGL-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984748 490486649 /nfs/dbraw/zinc/48/66/49/490486649.db2.gz CWWYQEJBMJRQNO-QAPCUYQASA-N 2 1 374.485 0.444 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984748 490486652 /nfs/dbraw/zinc/48/66/52/490486652.db2.gz CWWYQEJBMJRQNO-QAPCUYQASA-N 2 1 374.485 0.444 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000523750867 490492601 /nfs/dbraw/zinc/49/26/01/490492601.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC000523750867 490492607 /nfs/dbraw/zinc/49/26/07/490492607.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC000523750867 490492612 /nfs/dbraw/zinc/49/26/12/490492612.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 1 369.554 0.668 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000422927987 490500569 /nfs/dbraw/zinc/50/05/69/490500569.db2.gz IELZSSVEUKDGAG-UHFFFAOYSA-N 2 1 350.467 0.392 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500452208 490517541 /nfs/dbraw/zinc/51/75/41/490517541.db2.gz AVWISHWYTRMGKL-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423032258 490524024 /nfs/dbraw/zinc/52/40/24/490524024.db2.gz FDORSAOXPPPGAW-RBUKOAKNSA-N 2 1 370.497 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000423030369 490524886 /nfs/dbraw/zinc/52/48/86/490524886.db2.gz BPOUWUZBCLJQPL-DYESRHJHSA-N 2 1 372.513 0.817 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423034574 490526417 /nfs/dbraw/zinc/52/64/17/490526417.db2.gz IFIYIXHHGXROFP-OAQYLSRUSA-N 2 1 370.497 0.585 20 0 FCADMP CC(C)NC(=O)CN(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000556752297 491333646 /nfs/dbraw/zinc/33/36/46/491333646.db2.gz GWDLAZVYHUJJHD-UHFFFAOYSA-N 2 1 362.478 0.228 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423047902 490530461 /nfs/dbraw/zinc/53/04/61/490530461.db2.gz HRDDDVNHHIVACX-INIZCTEOSA-N 2 1 360.458 0.289 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423047902 490530466 /nfs/dbraw/zinc/53/04/66/490530466.db2.gz HRDDDVNHHIVACX-INIZCTEOSA-N 2 1 360.458 0.289 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000423052812 490530581 /nfs/dbraw/zinc/53/05/81/490530581.db2.gz RGWGGGJRVNILIM-UHFFFAOYSA-N 2 1 362.474 0.407 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000423052812 490530585 /nfs/dbraw/zinc/53/05/85/490530585.db2.gz RGWGGGJRVNILIM-UHFFFAOYSA-N 2 1 362.474 0.407 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000571872474 491333923 /nfs/dbraw/zinc/33/39/23/491333923.db2.gz DZOOJFMIWSGETF-NUJGCVRESA-N 2 1 358.486 0.915 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524817937 490563443 /nfs/dbraw/zinc/56/34/43/490563443.db2.gz DRKTWCNQMWGHBL-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524817937 490563449 /nfs/dbraw/zinc/56/34/49/490563449.db2.gz DRKTWCNQMWGHBL-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524817937 490563453 /nfs/dbraw/zinc/56/34/53/490563453.db2.gz DRKTWCNQMWGHBL-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511151166 490566777 /nfs/dbraw/zinc/56/67/77/490566777.db2.gz MQIUKAOBQHILNX-KBPBESRZSA-N 2 1 360.380 0.647 20 0 FCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3nc(N)ns3)CC2)CC1 ZINC000501016827 490568672 /nfs/dbraw/zinc/56/86/72/490568672.db2.gz WTGXJCIZYKSBRO-UHFFFAOYSA-N 2 1 353.540 0.658 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214940 490571475 /nfs/dbraw/zinc/57/14/75/490571475.db2.gz GLRNUUWVVNMQBV-RDJZCZTQSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214940 490571477 /nfs/dbraw/zinc/57/14/77/490571477.db2.gz GLRNUUWVVNMQBV-RDJZCZTQSA-N 2 1 365.522 0.879 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214940 490571483 /nfs/dbraw/zinc/57/14/83/490571483.db2.gz GLRNUUWVVNMQBV-RDJZCZTQSA-N 2 1 365.522 0.879 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)CC2(C)C)CC1=O ZINC000501341238 490597723 /nfs/dbraw/zinc/59/77/23/490597723.db2.gz OSGZQTUBEWMONP-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000550003180 490619419 /nfs/dbraw/zinc/61/94/19/490619419.db2.gz WIPZESXVLKTWOI-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP CCCNC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702529 490623677 /nfs/dbraw/zinc/62/36/77/490623677.db2.gz PYGJQXFHBWXSQG-GJZGRUSLSA-N 2 1 352.479 0.304 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643390 490630142 /nfs/dbraw/zinc/63/01/42/490630142.db2.gz VWVPXAJFXTWMAS-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501643390 490630146 /nfs/dbraw/zinc/63/01/46/490630146.db2.gz VWVPXAJFXTWMAS-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501643390 490630149 /nfs/dbraw/zinc/63/01/49/490630149.db2.gz VWVPXAJFXTWMAS-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000511842310 490631933 /nfs/dbraw/zinc/63/19/33/490631933.db2.gz KPNCFHUVEYTSRA-OFLPRAFFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000511842310 490631936 /nfs/dbraw/zinc/63/19/36/490631936.db2.gz KPNCFHUVEYTSRA-OFLPRAFFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000486475787 490636249 /nfs/dbraw/zinc/63/62/49/490636249.db2.gz BEQSEQRTOAFOTR-CVEARBPZSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000486475787 490636255 /nfs/dbraw/zinc/63/62/55/490636255.db2.gz BEQSEQRTOAFOTR-CVEARBPZSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000486475787 490636262 /nfs/dbraw/zinc/63/62/62/490636262.db2.gz BEQSEQRTOAFOTR-CVEARBPZSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815065 490636576 /nfs/dbraw/zinc/63/65/76/490636576.db2.gz FOOFZCPSOMHQNA-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815065 490636579 /nfs/dbraw/zinc/63/65/79/490636579.db2.gz FOOFZCPSOMHQNA-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525815065 490636585 /nfs/dbraw/zinc/63/65/85/490636585.db2.gz FOOFZCPSOMHQNA-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550294292 490656369 /nfs/dbraw/zinc/65/63/69/490656369.db2.gz CTYUWPZWUQYYHF-ZBFHGGJFSA-N 2 1 350.507 0.964 20 0 FCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000564989122 491344285 /nfs/dbraw/zinc/34/42/85/491344285.db2.gz RCJKPJWMIVVHQE-AWEZNQCLSA-N 2 1 369.487 0.400 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(=O)OC)cn1 ZINC000502075574 490674842 /nfs/dbraw/zinc/67/48/42/490674842.db2.gz OJTOQGZFRYLRIE-CQSZACIVSA-N 2 1 363.462 0.751 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)CC23CCCCC3)CC1=O ZINC000487499869 490715586 /nfs/dbraw/zinc/71/55/86/490715586.db2.gz MQXDUMPZZRGXOL-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513231292 490715787 /nfs/dbraw/zinc/71/57/87/490715787.db2.gz UQAVASQPHDPOOI-LSDHHAIUSA-N 2 1 367.494 0.193 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513231292 490715792 /nfs/dbraw/zinc/71/57/92/490715792.db2.gz UQAVASQPHDPOOI-LSDHHAIUSA-N 2 1 367.494 0.193 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487596800 490720985 /nfs/dbraw/zinc/72/09/85/490720985.db2.gz KJKZNZVYPYZBKE-IAGOWNOFSA-N 2 1 356.511 0.632 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000572124423 491350014 /nfs/dbraw/zinc/35/00/14/491350014.db2.gz VTEALGNQDPVSKC-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000502915763 490729725 /nfs/dbraw/zinc/72/97/25/490729725.db2.gz BNKAKGVSTSDSAX-YESZJQIVSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000502915763 490729727 /nfs/dbraw/zinc/72/97/27/490729727.db2.gz BNKAKGVSTSDSAX-YESZJQIVSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000502915763 490729728 /nfs/dbraw/zinc/72/97/28/490729728.db2.gz BNKAKGVSTSDSAX-YESZJQIVSA-N 2 1 356.511 0.584 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000488073953 490744373 /nfs/dbraw/zinc/74/43/73/490744373.db2.gz MMAWZBDMDNTBMP-MSOLQXFVSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000488073953 490744374 /nfs/dbraw/zinc/74/43/74/490744374.db2.gz MMAWZBDMDNTBMP-MSOLQXFVSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000488073953 490744375 /nfs/dbraw/zinc/74/43/75/490744375.db2.gz MMAWZBDMDNTBMP-MSOLQXFVSA-N 2 1 354.539 0.731 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000503295681 490750197 /nfs/dbraw/zinc/75/01/97/490750197.db2.gz HCWSMOWSZFPPCR-SJORKVTESA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000503295681 490750198 /nfs/dbraw/zinc/75/01/98/490750198.db2.gz HCWSMOWSZFPPCR-SJORKVTESA-N 2 1 365.522 0.903 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527660605 490752487 /nfs/dbraw/zinc/75/24/87/490752487.db2.gz LOMDPJDFYRDELB-QGZVFWFLSA-N 2 1 365.522 0.903 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527660605 490752492 /nfs/dbraw/zinc/75/24/92/490752492.db2.gz LOMDPJDFYRDELB-QGZVFWFLSA-N 2 1 365.522 0.903 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000513927881 490754238 /nfs/dbraw/zinc/75/42/38/490754238.db2.gz NCNIIWKHLHGNNE-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000565095948 491352972 /nfs/dbraw/zinc/35/29/72/491352972.db2.gz CQSFOUOKNTVIHN-UHFFFAOYSA-N 2 1 368.503 0.936 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210875 490766063 /nfs/dbraw/zinc/76/60/63/490766063.db2.gz KQYAPGASFDZWAW-ZWKOTPCHSA-N 3 1 354.539 0.877 20 0 FCADMP CC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000527969405 490769827 /nfs/dbraw/zinc/76/98/27/490769827.db2.gz XEGLJIBQVLYGNJ-UHFFFAOYSA-N 2 1 354.495 0.605 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000488689036 490771902 /nfs/dbraw/zinc/77/19/02/490771902.db2.gz POOQQPFEGIXBLM-INIZCTEOSA-N 2 1 352.523 0.772 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000514594139 490772532 /nfs/dbraw/zinc/77/25/32/490772532.db2.gz LJXNQMNEBCDPTP-HZPDHXFCSA-N 2 1 371.485 0.780 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000514594139 490772534 /nfs/dbraw/zinc/77/25/34/490772534.db2.gz LJXNQMNEBCDPTP-HZPDHXFCSA-N 2 1 371.485 0.780 20 0 FCADMP CC(C)Nc1nc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488745871 490773435 /nfs/dbraw/zinc/77/34/35/490773435.db2.gz FCNHVDVDGOIVJZ-AWEZNQCLSA-N 2 1 363.510 0.251 20 0 FCADMP CC(C)Nc1nc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488745871 490773441 /nfs/dbraw/zinc/77/34/41/490773441.db2.gz FCNHVDVDGOIVJZ-AWEZNQCLSA-N 2 1 363.510 0.251 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851630 490779027 /nfs/dbraw/zinc/77/90/27/490779027.db2.gz JIZKLBNKFNMNQP-FJIDUMEYSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572226821 491356611 /nfs/dbraw/zinc/35/66/11/491356611.db2.gz DAUDXMFTZLVGJB-HKUYNNGSSA-N 2 1 374.533 0.481 20 0 FCADMP CC[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000515381345 490822856 /nfs/dbraw/zinc/82/28/56/490822856.db2.gz IFKKEPPTHFKQQI-MSOLQXFVSA-N 2 1 358.486 0.808 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498642 490829146 /nfs/dbraw/zinc/82/91/46/490829146.db2.gz AEGQXLCOPCQNHN-CJNGLKHVSA-N 2 1 356.426 0.307 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619369 490833867 /nfs/dbraw/zinc/83/38/67/490833867.db2.gz ZDPIWWJFCADMCK-HKUYNNGSSA-N 2 1 374.533 0.481 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301391 490848695 /nfs/dbraw/zinc/84/86/95/490848695.db2.gz YBMZSIOHQIVHTB-QAPCUYQASA-N 2 1 362.474 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301391 490848698 /nfs/dbraw/zinc/84/86/98/490848698.db2.gz YBMZSIOHQIVHTB-QAPCUYQASA-N 2 1 362.474 0.695 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572304673 491361798 /nfs/dbraw/zinc/36/17/98/491361798.db2.gz XFEWAHQQHUWXDK-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000529374289 490857485 /nfs/dbraw/zinc/85/74/85/490857485.db2.gz DXPQCXRGWVAICY-KZNAEPCWSA-N 2 1 362.474 0.157 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@H]21 ZINC000516651073 490872821 /nfs/dbraw/zinc/87/28/21/490872821.db2.gz OFYZUXPWCLKAFZ-RCCFBDPRSA-N 2 1 362.518 0.907 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]21 ZINC000516651070 490873018 /nfs/dbraw/zinc/87/30/18/490873018.db2.gz OFYZUXPWCLKAFZ-FGTMMUONSA-N 2 1 362.518 0.907 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]21 ZINC000516651072 490873034 /nfs/dbraw/zinc/87/30/34/490873034.db2.gz OFYZUXPWCLKAFZ-OKZBNKHCSA-N 2 1 362.518 0.907 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NCC1CC[NH2+]CC1 ZINC000517020125 490891139 /nfs/dbraw/zinc/89/11/39/490891139.db2.gz JQUMMRJNSDRDKB-IBGZPJMESA-N 2 1 372.513 0.783 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000530377548 490902190 /nfs/dbraw/zinc/90/21/90/490902190.db2.gz PWOIXZKTNRIQQM-WBMJQRKESA-N 2 1 369.535 0.823 20 0 FCADMP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000517375972 490906450 /nfs/dbraw/zinc/90/64/50/490906450.db2.gz CTLWNEIQSLXHFO-ROUUACIJSA-N 2 1 351.539 0.204 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000517556372 490911812 /nfs/dbraw/zinc/91/18/12/490911812.db2.gz JUDLTYSWOAXLRK-OAHLLOKOSA-N 2 1 360.458 0.661 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000517998528 490927657 /nfs/dbraw/zinc/92/76/57/490927657.db2.gz YGNHREFEOARGIE-IXDOHACOSA-N 2 1 366.506 0.081 20 0 FCADMP C[C@H](CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380832 490931334 /nfs/dbraw/zinc/93/13/34/490931334.db2.gz RNSJRDAEMKAOBW-HZPDHXFCSA-N 2 1 353.511 0.890 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000518246580 490934802 /nfs/dbraw/zinc/93/48/02/490934802.db2.gz ODGNMPKMFGXDPQ-QGZVFWFLSA-N 2 1 370.538 0.650 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000543696337 490941926 /nfs/dbraw/zinc/94/19/26/490941926.db2.gz ORJZKTFJWGSTPD-INIZCTEOSA-N 2 1 367.538 0.995 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532227095 490989615 /nfs/dbraw/zinc/98/96/15/490989615.db2.gz LFHMTBSWYXPLLA-UHFFFAOYSA-N 2 1 360.506 0.978 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1C ZINC000532265056 490990091 /nfs/dbraw/zinc/99/00/91/490990091.db2.gz FROVEHPPTFQFOU-HZPDHXFCSA-N 2 1 364.494 0.663 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1CCC[NH+](C)C1)C2 ZINC000553997896 491168377 /nfs/dbraw/zinc/16/83/77/491168377.db2.gz GBORTPQMBSOHON-XYTVBORESA-N 2 1 365.522 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000553997896 491168380 /nfs/dbraw/zinc/16/83/80/491168380.db2.gz GBORTPQMBSOHON-XYTVBORESA-N 2 1 365.522 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000553997896 491168382 /nfs/dbraw/zinc/16/83/82/491168382.db2.gz GBORTPQMBSOHON-XYTVBORESA-N 2 1 365.522 0.711 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000557382087 491371376 /nfs/dbraw/zinc/37/13/76/491371376.db2.gz SZLBTKZWFZCLHY-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000572509525 491375379 /nfs/dbraw/zinc/37/53/79/491375379.db2.gz NUDCGWQSQCBYRP-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@H]2C)CC1=O ZINC000565439906 491376999 /nfs/dbraw/zinc/37/69/99/491376999.db2.gz XIJTVIAXRIIDFI-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)C[C@H]2C)CC1=O ZINC000565439906 491377000 /nfs/dbraw/zinc/37/70/00/491377000.db2.gz XIJTVIAXRIIDFI-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1=O ZINC000565439906 491377003 /nfs/dbraw/zinc/37/70/03/491377003.db2.gz XIJTVIAXRIIDFI-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000565479058 491379594 /nfs/dbraw/zinc/37/95/94/491379594.db2.gz GLCSWAOJGVWQIF-UHFFFAOYSA-N 2 1 361.490 0.935 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565200 491383640 /nfs/dbraw/zinc/38/36/40/491383640.db2.gz XEOQMTIENWIZDC-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@H+](C)C1CC1 ZINC000557565200 491383642 /nfs/dbraw/zinc/38/36/42/491383642.db2.gz XEOQMTIENWIZDC-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)C1CC1 ZINC000557565200 491383644 /nfs/dbraw/zinc/38/36/44/491383644.db2.gz XEOQMTIENWIZDC-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000557566192 491383763 /nfs/dbraw/zinc/38/37/63/491383763.db2.gz PSWAHJKMYYIESV-NVXWUHKLSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000557566192 491383765 /nfs/dbraw/zinc/38/37/65/491383765.db2.gz PSWAHJKMYYIESV-NVXWUHKLSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566192 491383766 /nfs/dbraw/zinc/38/37/66/491383766.db2.gz PSWAHJKMYYIESV-NVXWUHKLSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566192 491383768 /nfs/dbraw/zinc/38/37/68/491383768.db2.gz PSWAHJKMYYIESV-NVXWUHKLSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000565615494 491389613 /nfs/dbraw/zinc/38/96/13/491389613.db2.gz FYHYJVCXVBQQDN-HOTGVXAUSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000565615494 491389615 /nfs/dbraw/zinc/38/96/15/491389615.db2.gz FYHYJVCXVBQQDN-HOTGVXAUSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000565615494 491389616 /nfs/dbraw/zinc/38/96/16/491389616.db2.gz FYHYJVCXVBQQDN-HOTGVXAUSA-N 2 1 356.511 0.450 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000565643843 491390568 /nfs/dbraw/zinc/39/05/68/491390568.db2.gz HQUQSUWDEYDUNI-HOTGVXAUSA-N 2 1 359.474 0.743 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000565643843 491390571 /nfs/dbraw/zinc/39/05/71/491390571.db2.gz HQUQSUWDEYDUNI-HOTGVXAUSA-N 2 1 359.474 0.743 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516476 493339920 /nfs/dbraw/zinc/33/99/20/493339920.db2.gz HVDWPVJMSMSHOH-XUVXKRRUSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673516476 493339923 /nfs/dbraw/zinc/33/99/23/493339923.db2.gz HVDWPVJMSMSHOH-XUVXKRRUSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673516476 493339925 /nfs/dbraw/zinc/33/99/25/493339925.db2.gz HVDWPVJMSMSHOH-XUVXKRRUSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673516476 493339927 /nfs/dbraw/zinc/33/99/27/493339927.db2.gz HVDWPVJMSMSHOH-XUVXKRRUSA-N 2 1 373.497 0.945 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000557768070 491397050 /nfs/dbraw/zinc/39/70/50/491397050.db2.gz DXLBNMUIPSAAJK-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885614 491399944 /nfs/dbraw/zinc/39/99/44/491399944.db2.gz HNXCETJMXGZLKP-QZTJIDSGSA-N 2 1 372.517 0.837 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000572968414 491404652 /nfs/dbraw/zinc/40/46/52/491404652.db2.gz HCNVGQVJZDPQEE-UHFFFAOYSA-N 2 1 367.538 0.108 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573202219 491418878 /nfs/dbraw/zinc/41/88/78/491418878.db2.gz QPDPZIXNKQRXOB-ROUUACIJSA-N 2 1 358.486 0.932 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000566146898 491420352 /nfs/dbraw/zinc/42/03/52/491420352.db2.gz HMGLCZAGYGEJJX-HOTGVXAUSA-N 2 1 362.474 0.672 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216623 491420619 /nfs/dbraw/zinc/42/06/19/491420619.db2.gz JBHWVDDGICEBQE-CHWSQXEVSA-N 2 1 366.428 0.976 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216623 491420620 /nfs/dbraw/zinc/42/06/20/491420620.db2.gz JBHWVDDGICEBQE-CHWSQXEVSA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216623 491420621 /nfs/dbraw/zinc/42/06/21/491420621.db2.gz JBHWVDDGICEBQE-CHWSQXEVSA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216623 491420622 /nfs/dbraw/zinc/42/06/22/491420622.db2.gz JBHWVDDGICEBQE-CHWSQXEVSA-N 2 1 366.428 0.976 20 0 FCADMP COC[C@@]1(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000566168903 491422494 /nfs/dbraw/zinc/42/24/94/491422494.db2.gz XTXYRABGRQNEHO-FXAWDEMLSA-N 2 1 360.502 0.939 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000566236655 491428820 /nfs/dbraw/zinc/42/88/20/491428820.db2.gz HXYLNEWKTNVICD-DZKIICNBSA-N 2 1 356.511 0.482 20 0 FCADMP CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000573446334 491433786 /nfs/dbraw/zinc/43/37/86/491433786.db2.gz YMWIKHONWXLHHO-QGZVFWFLSA-N 2 1 367.538 0.057 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573491297 491436745 /nfs/dbraw/zinc/43/67/45/491436745.db2.gz DEBSJEPXDUOUHC-NOXHYTERSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573491297 491436748 /nfs/dbraw/zinc/43/67/48/491436748.db2.gz DEBSJEPXDUOUHC-NOXHYTERSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573491291 491436951 /nfs/dbraw/zinc/43/69/51/491436951.db2.gz DEBSJEPXDUOUHC-GUYJKWIASA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573491291 491436953 /nfs/dbraw/zinc/43/69/53/491436953.db2.gz DEBSJEPXDUOUHC-GUYJKWIASA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511292 491437921 /nfs/dbraw/zinc/43/79/21/491437921.db2.gz BXQHHOVTHYWPJS-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000573511292 491437922 /nfs/dbraw/zinc/43/79/22/491437922.db2.gz BXQHHOVTHYWPJS-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000573511292 491437927 /nfs/dbraw/zinc/43/79/27/491437927.db2.gz BXQHHOVTHYWPJS-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000573547202 491439787 /nfs/dbraw/zinc/43/97/87/491439787.db2.gz XQPIDOOFYBBIFC-MNEFBYGVSA-N 2 1 372.513 0.874 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000573724061 491450537 /nfs/dbraw/zinc/45/05/37/491450537.db2.gz NTETYZAYJKMCRQ-YRGYVZGLSA-N 2 1 362.518 0.714 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520098 491451336 /nfs/dbraw/zinc/45/13/36/491451336.db2.gz VJUUJANIIISRIL-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000566520098 491451337 /nfs/dbraw/zinc/45/13/37/491451337.db2.gz VJUUJANIIISRIL-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000566520098 491451340 /nfs/dbraw/zinc/45/13/40/491451340.db2.gz VJUUJANIIISRIL-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000566618211 491456312 /nfs/dbraw/zinc/45/63/12/491456312.db2.gz YJPRHIDAXOHOEC-LWYYNNOASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000566618211 491456313 /nfs/dbraw/zinc/45/63/13/491456313.db2.gz YJPRHIDAXOHOEC-LWYYNNOASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000566618211 491456314 /nfs/dbraw/zinc/45/63/14/491456314.db2.gz YJPRHIDAXOHOEC-LWYYNNOASA-N 2 1 370.582 0.540 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000566695196 491461313 /nfs/dbraw/zinc/46/13/13/491461313.db2.gz BDQXEXJPVHRXAF-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000559360641 491466866 /nfs/dbraw/zinc/46/68/66/491466866.db2.gz MKIHDHOUSYUMDZ-HUUCEWRRSA-N 2 1 350.463 0.797 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[NH+]1CCN(C)CC1 ZINC000566795915 491467373 /nfs/dbraw/zinc/46/73/73/491467373.db2.gz XRJLEPMKQUAPKW-MRXNPFEDSA-N 2 1 351.499 0.019 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000559393640 491470179 /nfs/dbraw/zinc/47/01/79/491470179.db2.gz UUHMXKNGFNVGPE-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000559405673 491470714 /nfs/dbraw/zinc/47/07/14/491470714.db2.gz OPMUMZKEOZMLAC-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405673 491470716 /nfs/dbraw/zinc/47/07/16/491470716.db2.gz OPMUMZKEOZMLAC-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405673 491470718 /nfs/dbraw/zinc/47/07/18/491470718.db2.gz OPMUMZKEOZMLAC-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559440179 491473218 /nfs/dbraw/zinc/47/32/18/491473218.db2.gz OJYHUAOGZRAGEQ-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000559441191 491473473 /nfs/dbraw/zinc/47/34/73/491473473.db2.gz QMVDXXRCBLSWBF-QGZVFWFLSA-N 2 1 370.538 0.506 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441094 491473648 /nfs/dbraw/zinc/47/36/48/491473648.db2.gz KDULEBHLMVSJLD-DOTOQJQBSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000559441094 491473649 /nfs/dbraw/zinc/47/36/49/491473649.db2.gz KDULEBHLMVSJLD-DOTOQJQBSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000559441094 491473652 /nfs/dbraw/zinc/47/36/52/491473652.db2.gz KDULEBHLMVSJLD-DOTOQJQBSA-N 2 1 366.506 0.060 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566904860 491474318 /nfs/dbraw/zinc/47/43/18/491474318.db2.gz YIXAUWSQKVTJEH-CEXWTWQISA-N 2 1 357.502 0.663 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911779 491474644 /nfs/dbraw/zinc/47/46/44/491474644.db2.gz MXOOUNIQEKIFPA-NQIIRXRSSA-N 2 1 372.513 0.977 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000559466187 491476068 /nfs/dbraw/zinc/47/60/68/491476068.db2.gz XPZDHXMOMCMQIC-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145935 491477450 /nfs/dbraw/zinc/47/74/50/491477450.db2.gz QZVCTALNRCEEKQ-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145935 491477453 /nfs/dbraw/zinc/47/74/53/491477453.db2.gz QZVCTALNRCEEKQ-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145935 491477456 /nfs/dbraw/zinc/47/74/56/491477456.db2.gz QZVCTALNRCEEKQ-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](c1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000574274379 491485732 /nfs/dbraw/zinc/48/57/32/491485732.db2.gz FDJNQNIEHLSWNB-YOEHRIQHSA-N 2 1 360.458 0.887 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000567194295 491491939 /nfs/dbraw/zinc/49/19/39/491491939.db2.gz RQKKACOBIYYQEQ-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000559792600 491500014 /nfs/dbraw/zinc/50/00/14/491500014.db2.gz MGHZACFVKHCFMG-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000559792600 491500015 /nfs/dbraw/zinc/50/00/15/491500015.db2.gz MGHZACFVKHCFMG-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000559792600 491500016 /nfs/dbraw/zinc/50/00/16/491500016.db2.gz MGHZACFVKHCFMG-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP Cc1cc(N2CCC(NC(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000574504214 491500981 /nfs/dbraw/zinc/50/09/81/491500981.db2.gz VPEFJJRTZLHMFL-MRXNPFEDSA-N 2 1 361.494 0.347 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)CC1 ZINC000567364809 491502131 /nfs/dbraw/zinc/50/21/31/491502131.db2.gz VIYJUHDPYOBXNL-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)CC1 ZINC000567364809 491502132 /nfs/dbraw/zinc/50/21/32/491502132.db2.gz VIYJUHDPYOBXNL-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000574549432 491504660 /nfs/dbraw/zinc/50/46/60/491504660.db2.gz TZUSQAQERSPXNG-RTBURBONSA-N 2 1 372.513 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868915 491506775 /nfs/dbraw/zinc/50/67/75/491506775.db2.gz YDYDMRDURGHKFN-JKIFEVAISA-N 2 1 356.536 0.339 20 0 FCADMP C[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000567449577 491506861 /nfs/dbraw/zinc/50/68/61/491506861.db2.gz SZRSBQHBEKUSRX-OAHLLOKOSA-N 2 1 361.490 0.869 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585405 491507017 /nfs/dbraw/zinc/50/70/17/491507017.db2.gz VLJANOFPMLVLKD-KZNAEPCWSA-N 2 1 356.470 0.812 20 0 FCADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567481337 491508973 /nfs/dbraw/zinc/50/89/73/491508973.db2.gz OQXRUJPURQOZHX-ZACQAIPSSA-N 2 1 374.485 0.311 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000560015410 491515032 /nfs/dbraw/zinc/51/50/32/491515032.db2.gz GQEBOOZAIDRSDR-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560021429 491515700 /nfs/dbraw/zinc/51/57/00/491515700.db2.gz AFDNCNNAWCTCLW-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000567625587 491518601 /nfs/dbraw/zinc/51/86/01/491518601.db2.gz DKMNYFKXOUKJEX-HZPDHXFCSA-N 2 1 361.490 0.989 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000567625587 491518602 /nfs/dbraw/zinc/51/86/02/491518602.db2.gz DKMNYFKXOUKJEX-HZPDHXFCSA-N 2 1 361.490 0.989 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778092 491519835 /nfs/dbraw/zinc/51/98/35/491519835.db2.gz JVKVFQRMKCEJIU-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778092 491519838 /nfs/dbraw/zinc/51/98/38/491519838.db2.gz JVKVFQRMKCEJIU-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000574802237 491520987 /nfs/dbraw/zinc/52/09/87/491520987.db2.gz GSWWMGRSAHALHR-IPMKNSEASA-N 2 1 370.497 0.440 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000574802237 491520988 /nfs/dbraw/zinc/52/09/88/491520988.db2.gz GSWWMGRSAHALHR-IPMKNSEASA-N 2 1 370.497 0.440 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000574802235 491521043 /nfs/dbraw/zinc/52/10/43/491521043.db2.gz GSWWMGRSAHALHR-FHWLQOOXSA-N 2 1 370.497 0.440 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000574802235 491521044 /nfs/dbraw/zinc/52/10/44/491521044.db2.gz GSWWMGRSAHALHR-FHWLQOOXSA-N 2 1 370.497 0.440 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754804 491527343 /nfs/dbraw/zinc/52/73/43/491527343.db2.gz SHKWRLLVQKURMR-ROUUACIJSA-N 2 1 360.502 0.861 20 0 FCADMP COc1ccc(COC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000575039766 491535391 /nfs/dbraw/zinc/53/53/91/491535391.db2.gz CYYINNLDDGLVGU-KRWDZBQOSA-N 2 1 365.474 0.326 20 0 FCADMP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000567895544 491538943 /nfs/dbraw/zinc/53/89/43/491538943.db2.gz NPPGRXUNMMMIEP-VYDXJSESSA-N 2 1 359.430 0.242 20 0 FCADMP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000567895544 491538944 /nfs/dbraw/zinc/53/89/44/491538944.db2.gz NPPGRXUNMMMIEP-VYDXJSESSA-N 2 1 359.430 0.242 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567894649 491539002 /nfs/dbraw/zinc/53/90/02/491539002.db2.gz LYYFZUQQZMGRBF-HNNXBMFYSA-N 2 1 353.463 0.085 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567894649 491539003 /nfs/dbraw/zinc/53/90/03/491539003.db2.gz LYYFZUQQZMGRBF-HNNXBMFYSA-N 2 1 353.463 0.085 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000575202759 491545465 /nfs/dbraw/zinc/54/54/65/491545465.db2.gz FWRKNILXIXGNLE-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000575200554 491545484 /nfs/dbraw/zinc/54/54/84/491545484.db2.gz BMCKNTHAVCEMSX-UHFFFAOYSA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000568200046 491558986 /nfs/dbraw/zinc/55/89/86/491558986.db2.gz OQWVWJKJSUIOMS-UHFFFAOYSA-N 2 1 350.511 0.592 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+](C)C1 ZINC000568225465 491561139 /nfs/dbraw/zinc/56/11/39/491561139.db2.gz IBNJYCBSYKLQRO-JKSUJKDBSA-N 2 1 369.531 0.767 20 0 FCADMP COCC1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000576110967 491582651 /nfs/dbraw/zinc/58/26/51/491582651.db2.gz FUHRDXHTAWJJHB-UHFFFAOYSA-N 2 1 360.502 0.941 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@]23C[C@H]2CC[NH2+]3)cc[nH+]1 ZINC000577055287 491584721 /nfs/dbraw/zinc/58/47/21/491584721.db2.gz ILWCNBIDUVUDJV-COJSNBRMSA-N 2 1 362.453 0.670 20 0 FCADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC1 ZINC000561218160 491585081 /nfs/dbraw/zinc/58/50/81/491585081.db2.gz WHJVHYIZIKLMFG-UHFFFAOYSA-N 2 1 373.501 0.772 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000561256838 491590527 /nfs/dbraw/zinc/59/05/27/491590527.db2.gz SIZDAXBDPGISQY-HNNXBMFYSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000584464507 491594483 /nfs/dbraw/zinc/59/44/83/491594483.db2.gz RRYHDZDTIHKLRK-XGXHKWSGSA-N 2 1 370.497 0.915 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000577171768 491597685 /nfs/dbraw/zinc/59/76/85/491597685.db2.gz GJRYXCHQNMXIDS-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000561355568 491600603 /nfs/dbraw/zinc/60/06/03/491600603.db2.gz DMPKMNZPDSJOEQ-MRXNPFEDSA-N 2 1 366.506 0.348 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000577200731 491601244 /nfs/dbraw/zinc/60/12/44/491601244.db2.gz XSNPXBWQWQHFQR-KDURUIRLSA-N 2 1 372.513 0.987 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000584530810 491601437 /nfs/dbraw/zinc/60/14/37/491601437.db2.gz ISTRXUQLPROTRT-BBWFWOEESA-N 2 1 366.506 0.333 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@H]2C1 ZINC000577421714 491621341 /nfs/dbraw/zinc/62/13/41/491621341.db2.gz JEVWRVUOWZEBKQ-HOCLYGCPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522584 491622248 /nfs/dbraw/zinc/62/22/48/491622248.db2.gz SVEMMTZOFNDIIA-MBOZVWFJSA-N 2 1 374.485 0.999 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522584 491622249 /nfs/dbraw/zinc/62/22/49/491622249.db2.gz SVEMMTZOFNDIIA-MBOZVWFJSA-N 2 1 374.485 0.999 20 0 FCADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745876 491628560 /nfs/dbraw/zinc/62/85/60/491628560.db2.gz CEECOHCXTXZGHS-NXOAAHMSSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000576602660 491628816 /nfs/dbraw/zinc/62/88/16/491628816.db2.gz WEGXSBKEFQCGHP-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703533 491637315 /nfs/dbraw/zinc/63/73/15/491637315.db2.gz JYZQOCDISXXDKP-HOTGVXAUSA-N 2 1 366.458 0.837 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000576720314 491639245 /nfs/dbraw/zinc/63/92/45/491639245.db2.gz VHGRNTMZUDFNNO-INIZCTEOSA-N 2 1 361.490 0.991 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766881 491643100 /nfs/dbraw/zinc/64/31/00/491643100.db2.gz ZOGUTGWLXZQYMQ-OALUTQOASA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766881 491643103 /nfs/dbraw/zinc/64/31/03/491643103.db2.gz ZOGUTGWLXZQYMQ-OALUTQOASA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766881 491643106 /nfs/dbraw/zinc/64/31/06/491643106.db2.gz ZOGUTGWLXZQYMQ-OALUTQOASA-N 2 1 354.539 0.565 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577714684 491644460 /nfs/dbraw/zinc/64/44/60/491644460.db2.gz SZZMOAKYVUWIMA-IEBWSBKVSA-N 2 1 358.486 0.942 20 0 FCADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000577714684 491644463 /nfs/dbraw/zinc/64/44/63/491644463.db2.gz SZZMOAKYVUWIMA-IEBWSBKVSA-N 2 1 358.486 0.942 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000577714684 491644467 /nfs/dbraw/zinc/64/44/67/491644467.db2.gz SZZMOAKYVUWIMA-IEBWSBKVSA-N 2 1 358.486 0.942 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000576787469 491645028 /nfs/dbraw/zinc/64/50/28/491645028.db2.gz ZZSPEQDHIYPRGH-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(CCO)CCOC3)CC2)CC1 ZINC000576836211 491649020 /nfs/dbraw/zinc/64/90/20/491649020.db2.gz GBNMLQLTZFRWIR-IBGZPJMESA-N 2 1 353.507 0.840 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000569334076 491653234 /nfs/dbraw/zinc/65/32/34/491653234.db2.gz WPSNUBXPBSTVFV-HNNXBMFYSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000569364048 491656340 /nfs/dbraw/zinc/65/63/40/491656340.db2.gz YDIMEBICVPWCHK-CYBMUJFWSA-N 2 1 368.503 0.924 20 0 FCADMP CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000569364048 491656343 /nfs/dbraw/zinc/65/63/43/491656343.db2.gz YDIMEBICVPWCHK-CYBMUJFWSA-N 2 1 368.503 0.924 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411426 491659664 /nfs/dbraw/zinc/65/96/64/491659664.db2.gz IEJLSNPGIROKAE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000569411426 491659667 /nfs/dbraw/zinc/65/96/67/491659667.db2.gz IEJLSNPGIROKAE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000569411426 491659669 /nfs/dbraw/zinc/65/96/69/491659669.db2.gz IEJLSNPGIROKAE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576987025 491662740 /nfs/dbraw/zinc/66/27/40/491662740.db2.gz STJLCKNYAKUFIJ-MOPGFXCFSA-N 2 1 357.502 0.800 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217243 491672446 /nfs/dbraw/zinc/67/24/46/491672446.db2.gz LFCGQMGOOXVPRZ-IEBWSBKVSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217243 491672447 /nfs/dbraw/zinc/67/24/47/491672447.db2.gz LFCGQMGOOXVPRZ-IEBWSBKVSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000578334100 491675040 /nfs/dbraw/zinc/67/50/40/491675040.db2.gz XTINEHXGSAOKSF-CQSZACIVSA-N 2 1 351.520 0.699 20 0 FCADMP C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000578334100 491675041 /nfs/dbraw/zinc/67/50/41/491675041.db2.gz XTINEHXGSAOKSF-CQSZACIVSA-N 2 1 351.520 0.699 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC000578464366 491677904 /nfs/dbraw/zinc/67/79/04/491677904.db2.gz PYDKKTXUYBTMEW-IKGGRYGDSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC000578464366 491677905 /nfs/dbraw/zinc/67/79/05/491677905.db2.gz PYDKKTXUYBTMEW-IKGGRYGDSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC000578464366 491677906 /nfs/dbraw/zinc/67/79/06/491677906.db2.gz PYDKKTXUYBTMEW-IKGGRYGDSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC000578464366 491677907 /nfs/dbraw/zinc/67/79/07/491677907.db2.gz PYDKKTXUYBTMEW-IKGGRYGDSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000578497676 491678456 /nfs/dbraw/zinc/67/84/56/491678456.db2.gz UDRFUPNGAODJLF-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000578617109 491680938 /nfs/dbraw/zinc/68/09/38/491680938.db2.gz XBNMNXIRGWWVTE-ARFHVFGLSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000578914710 491686945 /nfs/dbraw/zinc/68/69/45/491686945.db2.gz JKRGXWKIGQRJRC-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP O=C(C[NH2+]C(CO)CO)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000579022123 491689410 /nfs/dbraw/zinc/68/94/10/491689410.db2.gz PNXGPHGMCWWTNY-INIZCTEOSA-N 2 1 355.866 0.536 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579355270 491696280 /nfs/dbraw/zinc/69/62/80/491696280.db2.gz ZDSFKMHBRAMISW-YESZJQIVSA-N 2 1 366.506 0.428 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000673673329 493356849 /nfs/dbraw/zinc/35/68/49/493356849.db2.gz UUVURULLRKOWIU-GOSISDBHSA-N 2 1 352.523 0.630 20 0 FCADMP CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000584723477 491711514 /nfs/dbraw/zinc/71/15/14/491711514.db2.gz XFHMRYSTLWPLKH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000584769904 491713486 /nfs/dbraw/zinc/71/34/86/491713486.db2.gz DXCLESRJDIORFF-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000584769904 491713488 /nfs/dbraw/zinc/71/34/88/491713488.db2.gz DXCLESRJDIORFF-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP COC(=O)CC1CC[NH+](CC(O)C[NH+]2CCC(CC(=O)OC)CC2)CC1 ZINC000580034318 491714413 /nfs/dbraw/zinc/71/44/13/491714413.db2.gz CPLQZHZVCNPZED-UHFFFAOYSA-N 2 1 370.490 0.898 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000580058040 491715256 /nfs/dbraw/zinc/71/52/56/491715256.db2.gz RTSRTEIUZZAXMG-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000584829545 491716462 /nfs/dbraw/zinc/71/64/62/491716462.db2.gz YPNHZJSVAXAUSI-INIZCTEOSA-N 2 1 362.474 0.530 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000580292664 491724626 /nfs/dbraw/zinc/72/46/26/491724626.db2.gz ZFQGMVSUNUPIRL-UHFFFAOYSA-N 2 1 366.506 0.252 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000580292664 491724628 /nfs/dbraw/zinc/72/46/28/491724628.db2.gz ZFQGMVSUNUPIRL-UHFFFAOYSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580531646 491734561 /nfs/dbraw/zinc/73/45/61/491734561.db2.gz CSJGGOIOZWQNRD-IBGZPJMESA-N 2 1 357.502 0.734 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542707 493360250 /nfs/dbraw/zinc/36/02/50/493360250.db2.gz FZBHJTSHILQDCJ-WMZOPIPTSA-N 2 1 371.485 0.673 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000581129093 491760641 /nfs/dbraw/zinc/76/06/41/491760641.db2.gz HKFIIVXIMOPMNH-UHFFFAOYSA-N 2 1 374.485 0.710 20 0 FCADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000581201675 491763912 /nfs/dbraw/zinc/76/39/12/491763912.db2.gz DVQROWRNPAALTQ-JYJNAYRXSA-N 2 1 354.495 0.648 20 0 FCADMP CSC1(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+](C)CC1 ZINC000589715877 491765725 /nfs/dbraw/zinc/76/57/25/491765725.db2.gz HYEIDIHCEXAWLZ-UHFFFAOYSA-N 2 1 358.552 0.912 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000581370134 491770243 /nfs/dbraw/zinc/77/02/43/491770243.db2.gz KMXNYBVWDPPLHG-VBNZEHGJSA-N 2 1 366.487 0.722 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000581370131 491770283 /nfs/dbraw/zinc/77/02/83/491770283.db2.gz KMXNYBVWDPPLHG-APHBMKBZSA-N 2 1 366.487 0.722 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000581432164 491772845 /nfs/dbraw/zinc/77/28/45/491772845.db2.gz MHUPPRHKAAVVRR-UHFFFAOYSA-N 3 1 370.461 0.602 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(C)C)CC1 ZINC000581534589 491776487 /nfs/dbraw/zinc/77/64/87/491776487.db2.gz PQLDGKBZQWJERU-MRXNPFEDSA-N 2 1 361.490 0.989 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581683132 491782630 /nfs/dbraw/zinc/78/26/30/491782630.db2.gz CAMSZEUMZSQISR-OAGGEKHMSA-N 2 1 356.511 0.448 20 0 FCADMP CCc1nsc(N2CCCN(C[C@@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000581951723 491791528 /nfs/dbraw/zinc/79/15/28/491791528.db2.gz LHHRMTKVCKMGFF-AWEZNQCLSA-N 2 1 357.524 0.552 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@H+](CC)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000582067599 491796810 /nfs/dbraw/zinc/79/68/10/491796810.db2.gz APKNAIHTOMJEEN-GJZGRUSLSA-N 2 1 363.510 0.941 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000591412590 491805127 /nfs/dbraw/zinc/80/51/27/491805127.db2.gz BTJGYHFUSPXZGL-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000591412590 491805128 /nfs/dbraw/zinc/80/51/28/491805128.db2.gz BTJGYHFUSPXZGL-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000591412590 491805129 /nfs/dbraw/zinc/80/51/29/491805129.db2.gz BTJGYHFUSPXZGL-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000591458463 491806617 /nfs/dbraw/zinc/80/66/17/491806617.db2.gz MINTZZTWMKGGJF-MRXNPFEDSA-N 2 1 373.501 0.787 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000591458463 491806618 /nfs/dbraw/zinc/80/66/18/491806618.db2.gz MINTZZTWMKGGJF-MRXNPFEDSA-N 2 1 373.501 0.787 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740278 491824771 /nfs/dbraw/zinc/82/47/71/491824771.db2.gz KDZMEEVYOTWVGY-GUYCJALGSA-N 2 1 354.520 0.140 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582956852 491833747 /nfs/dbraw/zinc/83/37/47/491833747.db2.gz IXFGOYFRRGNQMP-IYBDPMFKSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582956852 491833748 /nfs/dbraw/zinc/83/37/48/491833748.db2.gz IXFGOYFRRGNQMP-IYBDPMFKSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582956852 491833749 /nfs/dbraw/zinc/83/37/49/491833749.db2.gz IXFGOYFRRGNQMP-IYBDPMFKSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582956852 491833750 /nfs/dbraw/zinc/83/37/50/491833750.db2.gz IXFGOYFRRGNQMP-IYBDPMFKSA-N 2 1 370.538 0.839 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583592441 491848317 /nfs/dbraw/zinc/84/83/17/491848317.db2.gz IVJSAGHTZJFQMA-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626839 491848868 /nfs/dbraw/zinc/84/88/68/491848868.db2.gz NGMMNGTXCQIPHI-ZFWWWQNUSA-N 2 1 373.544 0.803 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626839 491848869 /nfs/dbraw/zinc/84/88/69/491848869.db2.gz NGMMNGTXCQIPHI-ZFWWWQNUSA-N 2 1 373.544 0.803 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000583806721 491852383 /nfs/dbraw/zinc/85/23/83/491852383.db2.gz VEQIFZZNLVEIBW-RCCFBDPRSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583820066 491852755 /nfs/dbraw/zinc/85/27/55/491852755.db2.gz ZZWKTONJDFDCJF-HDICACEKSA-N 2 1 362.518 0.779 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881711 491854096 /nfs/dbraw/zinc/85/40/96/491854096.db2.gz JIWNQYAUZFTTAN-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000583881711 491854097 /nfs/dbraw/zinc/85/40/97/491854097.db2.gz JIWNQYAUZFTTAN-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000583881711 491854098 /nfs/dbraw/zinc/85/40/98/491854098.db2.gz JIWNQYAUZFTTAN-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000584147160 491859573 /nfs/dbraw/zinc/85/95/73/491859573.db2.gz PCPWIXOQTOFGRL-UZLBHIALSA-N 2 1 371.485 0.721 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000584173050 491860026 /nfs/dbraw/zinc/86/00/26/491860026.db2.gz QXZPSDIOKLVNRC-GJZGRUSLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000584249330 491861670 /nfs/dbraw/zinc/86/16/70/491861670.db2.gz GZRAVFSLDKCRDL-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000611642292 491864701 /nfs/dbraw/zinc/86/47/01/491864701.db2.gz WQKJRAIHPMAPOJ-HRCADAONSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000611954461 491884970 /nfs/dbraw/zinc/88/49/70/491884970.db2.gz BSBKEDZJOGUVAO-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1C(=O)CCC1=O ZINC000601472934 491925174 /nfs/dbraw/zinc/92/51/74/491925174.db2.gz AJSULZAVEYCUBU-UKRRQHHQSA-N 2 1 350.463 0.151 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472934 491925176 /nfs/dbraw/zinc/92/51/76/491925176.db2.gz AJSULZAVEYCUBU-UKRRQHHQSA-N 2 1 350.463 0.151 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000612546246 491932195 /nfs/dbraw/zinc/93/21/95/491932195.db2.gz QQRWUAKSUOSICF-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758150 491949293 /nfs/dbraw/zinc/94/92/93/491949293.db2.gz FDNKFWXGDFRJBL-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758150 491949298 /nfs/dbraw/zinc/94/92/98/491949298.db2.gz FDNKFWXGDFRJBL-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758150 491949301 /nfs/dbraw/zinc/94/93/01/491949301.db2.gz FDNKFWXGDFRJBL-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758150 491949303 /nfs/dbraw/zinc/94/93/03/491949303.db2.gz FDNKFWXGDFRJBL-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602194404 491966881 /nfs/dbraw/zinc/96/68/81/491966881.db2.gz KNNNQDWLMZZUFH-GOEBONIOSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000597226095 492023683 /nfs/dbraw/zinc/02/36/83/492023683.db2.gz QZZDPMPIOPIMCD-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CCC[NH+]1C ZINC000614866454 492061948 /nfs/dbraw/zinc/06/19/48/492061948.db2.gz WYFYQZDMXLOLHH-QGZVFWFLSA-N 2 1 372.469 0.767 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000614866454 492061949 /nfs/dbraw/zinc/06/19/49/492061949.db2.gz WYFYQZDMXLOLHH-QGZVFWFLSA-N 2 1 372.469 0.767 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC000614866454 492061951 /nfs/dbraw/zinc/06/19/51/492061951.db2.gz WYFYQZDMXLOLHH-QGZVFWFLSA-N 2 1 372.469 0.767 20 0 FCADMP CN1CC[NH+](CC2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274010 492083796 /nfs/dbraw/zinc/08/37/96/492083796.db2.gz JNACGNGJHVWOES-NRFANRHFSA-N 2 1 372.513 0.329 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274010 492083798 /nfs/dbraw/zinc/08/37/98/492083798.db2.gz JNACGNGJHVWOES-NRFANRHFSA-N 2 1 372.513 0.329 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274010 492083800 /nfs/dbraw/zinc/08/38/00/492083800.db2.gz JNACGNGJHVWOES-NRFANRHFSA-N 2 1 372.513 0.329 20 0 FCADMP CN1CC[NH+](CC2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274045 492084106 /nfs/dbraw/zinc/08/41/06/492084106.db2.gz KHDNRVGSQRVJEZ-FQEVSTJZSA-N 2 1 371.529 0.999 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274045 492084107 /nfs/dbraw/zinc/08/41/07/492084107.db2.gz KHDNRVGSQRVJEZ-FQEVSTJZSA-N 2 1 371.529 0.999 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274045 492084108 /nfs/dbraw/zinc/08/41/08/492084108.db2.gz KHDNRVGSQRVJEZ-FQEVSTJZSA-N 2 1 371.529 0.999 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CC1=O ZINC000615311483 492085642 /nfs/dbraw/zinc/08/56/42/492085642.db2.gz ZWRSHVBFILTXAD-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000605882095 492104975 /nfs/dbraw/zinc/10/49/75/492104975.db2.gz NZEVCDQTAWXMQI-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000606436736 492122494 /nfs/dbraw/zinc/12/24/94/492122494.db2.gz HWBMLDJMKHUCSU-ROUUACIJSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000606436736 492122496 /nfs/dbraw/zinc/12/24/96/492122496.db2.gz HWBMLDJMKHUCSU-ROUUACIJSA-N 2 1 352.523 0.726 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633828 492125278 /nfs/dbraw/zinc/12/52/78/492125278.db2.gz WMWLPQNTXPGUQO-SJORKVTESA-N 2 1 355.527 0.278 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)cc2C1 ZINC000606997016 492135254 /nfs/dbraw/zinc/13/52/54/492135254.db2.gz HWCSZLMWTXUAOM-UHFFFAOYSA-N 2 1 360.458 0.534 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)cc2C1 ZINC000606997016 492135257 /nfs/dbraw/zinc/13/52/57/492135257.db2.gz HWCSZLMWTXUAOM-UHFFFAOYSA-N 2 1 360.458 0.534 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000607245697 492142268 /nfs/dbraw/zinc/14/22/68/492142268.db2.gz YTEAFQBCGNRGBN-IRXDYDNUSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)N(C)C(=O)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608018110 492162463 /nfs/dbraw/zinc/16/24/63/492162463.db2.gz VQRSVXVODYTISA-INIZCTEOSA-N 2 1 366.506 0.644 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000599356063 492163812 /nfs/dbraw/zinc/16/38/12/492163812.db2.gz UQJVXIBWJRCQIJ-BRSBDYLESA-N 2 1 364.534 0.929 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[NH+]1CCCCC1 ZINC000600015547 492230405 /nfs/dbraw/zinc/23/04/05/492230405.db2.gz VIZJLISQQCSGQB-KRWDZBQOSA-N 2 1 366.506 0.302 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000600119193 492246070 /nfs/dbraw/zinc/24/60/70/492246070.db2.gz MQCJEQWAOGUCJZ-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000600119193 492246072 /nfs/dbraw/zinc/24/60/72/492246072.db2.gz MQCJEQWAOGUCJZ-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000619176600 492252301 /nfs/dbraw/zinc/25/23/01/492252301.db2.gz FVPWTVAHMKIIGR-UHFFFAOYSA-N 2 1 369.425 0.950 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000619898621 492282241 /nfs/dbraw/zinc/28/22/41/492282241.db2.gz LQAPVJQPAINWKW-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000619900058 492282250 /nfs/dbraw/zinc/28/22/50/492282250.db2.gz RMEIYEXFZBHRCT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900058 492282251 /nfs/dbraw/zinc/28/22/51/492282251.db2.gz RMEIYEXFZBHRCT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900058 492282252 /nfs/dbraw/zinc/28/22/52/492282252.db2.gz RMEIYEXFZBHRCT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000627427500 492292313 /nfs/dbraw/zinc/29/23/13/492292313.db2.gz GYMXOLUDGAEUQZ-NVXWUHKLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641741427 492301918 /nfs/dbraw/zinc/30/19/18/492301918.db2.gz JIVOHQMNRRISTD-GOSISDBHSA-N 2 1 367.538 0.567 20 0 FCADMP COCC1(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000641753161 492302555 /nfs/dbraw/zinc/30/25/55/492302555.db2.gz ZZUJLEDMMUDUMV-MRXNPFEDSA-N 2 1 354.495 0.509 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641779918 492303988 /nfs/dbraw/zinc/30/39/88/492303988.db2.gz TVFNVLIUZMIPRZ-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627468835 492308402 /nfs/dbraw/zinc/30/84/02/492308402.db2.gz FJYHQQUTXCTWBR-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1(C)C ZINC000641824260 492309835 /nfs/dbraw/zinc/30/98/35/492309835.db2.gz HMFOULMEANJSCM-JKSUJKDBSA-N 2 1 362.449 0.631 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473278 492311211 /nfs/dbraw/zinc/31/12/11/492311211.db2.gz KSCKFWFHAIBYJI-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641832532 492314144 /nfs/dbraw/zinc/31/41/44/492314144.db2.gz STLJVWNCVYABED-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647567204 492314229 /nfs/dbraw/zinc/31/42/29/492314229.db2.gz NRJMVGHGZZZGBQ-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567204 492314234 /nfs/dbraw/zinc/31/42/34/492314234.db2.gz NRJMVGHGZZZGBQ-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567204 492314238 /nfs/dbraw/zinc/31/42/38/492314238.db2.gz NRJMVGHGZZZGBQ-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567204 492314240 /nfs/dbraw/zinc/31/42/40/492314240.db2.gz NRJMVGHGZZZGBQ-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482494 492314376 /nfs/dbraw/zinc/31/43/76/492314376.db2.gz PIXKUQYYJKDVFB-PMACEKPBSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620482494 492314379 /nfs/dbraw/zinc/31/43/79/492314379.db2.gz PIXKUQYYJKDVFB-PMACEKPBSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620482494 492314380 /nfs/dbraw/zinc/31/43/80/492314380.db2.gz PIXKUQYYJKDVFB-PMACEKPBSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620482494 492314384 /nfs/dbraw/zinc/31/43/84/492314384.db2.gz PIXKUQYYJKDVFB-PMACEKPBSA-N 2 1 373.497 0.945 20 0 FCADMP CN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000634226735 492327913 /nfs/dbraw/zinc/32/79/13/492327913.db2.gz CZYWDJVDABILSP-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654640102 492328284 /nfs/dbraw/zinc/32/82/84/492328284.db2.gz ZIQRAQFYXLSHBG-CYBMUJFWSA-N 2 1 353.471 0.291 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000634240081 492329829 /nfs/dbraw/zinc/32/98/29/492329829.db2.gz BPKJIAOVAXAYLC-UHFFFAOYSA-N 2 1 373.501 0.644 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642083222 492331739 /nfs/dbraw/zinc/33/17/39/492331739.db2.gz CYASPOWIJFVPTL-BZUAXINKSA-N 2 1 360.458 0.743 20 0 FCADMP C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656644 492335426 /nfs/dbraw/zinc/33/54/26/492335426.db2.gz WVWFWJRPBCWNJF-YESZJQIVSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656644 492335428 /nfs/dbraw/zinc/33/54/28/492335428.db2.gz WVWFWJRPBCWNJF-YESZJQIVSA-N 2 1 368.522 0.990 20 0 FCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC3C[NH2+]C3)CC2)cs1 ZINC000642116824 492335956 /nfs/dbraw/zinc/33/59/56/492335956.db2.gz OJSRONHTIPSNKB-UHFFFAOYSA-N 2 1 365.503 0.122 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253920 492345559 /nfs/dbraw/zinc/34/55/59/492345559.db2.gz QMXKHWCEJSUFNV-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254045 492345921 /nfs/dbraw/zinc/34/59/21/492345921.db2.gz ZZWGOIXOAXTKAN-FUHWJXTLSA-N 2 1 358.486 0.868 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253857 492345966 /nfs/dbraw/zinc/34/59/66/492345966.db2.gz LQKZWOFCFOLUNC-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706204 492347933 /nfs/dbraw/zinc/34/79/33/492347933.db2.gz FNWURBSDWJWGSP-FHWLQOOXSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706204 492347936 /nfs/dbraw/zinc/34/79/36/492347936.db2.gz FNWURBSDWJWGSP-FHWLQOOXSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706204 492347939 /nfs/dbraw/zinc/34/79/39/492347939.db2.gz FNWURBSDWJWGSP-FHWLQOOXSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000647706204 492347944 /nfs/dbraw/zinc/34/79/44/492347944.db2.gz FNWURBSDWJWGSP-FHWLQOOXSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000647706204 492347948 /nfs/dbraw/zinc/34/79/48/492347948.db2.gz FNWURBSDWJWGSP-FHWLQOOXSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647708091 492348693 /nfs/dbraw/zinc/34/86/93/492348693.db2.gz IOHASEXWWSKYEG-RLLQIKCJSA-N 2 1 373.497 0.852 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647708091 492348697 /nfs/dbraw/zinc/34/86/97/492348697.db2.gz IOHASEXWWSKYEG-RLLQIKCJSA-N 2 1 373.497 0.852 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706942 492349173 /nfs/dbraw/zinc/34/91/73/492349173.db2.gz SYWQFNNWCSBUSX-AQNXPRMDSA-N 2 1 372.513 0.643 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706942 492349177 /nfs/dbraw/zinc/34/91/77/492349177.db2.gz SYWQFNNWCSBUSX-AQNXPRMDSA-N 2 1 372.513 0.643 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000654780365 492351428 /nfs/dbraw/zinc/35/14/28/492351428.db2.gz UAJNGUIJLJLNLM-MRXNPFEDSA-N 2 1 368.547 0.484 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105063 492355879 /nfs/dbraw/zinc/35/58/79/492355879.db2.gz KPKLTDKCSJQXFQ-DLBZAZTESA-N 2 1 350.507 0.635 20 0 FCADMP CCS(=O)(=O)N(C)CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642806 492357548 /nfs/dbraw/zinc/35/75/48/492357548.db2.gz QWZCUABLUKDDKH-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP CCS(=O)(=O)N(C)CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642806 492357549 /nfs/dbraw/zinc/35/75/49/492357549.db2.gz QWZCUABLUKDDKH-GOSISDBHSA-N 2 1 369.531 0.885 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1=O ZINC000621153063 492358907 /nfs/dbraw/zinc/35/89/07/492358907.db2.gz JZUCXPCROOJFLN-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1=O ZINC000621153060 492359092 /nfs/dbraw/zinc/35/90/92/492359092.db2.gz JZUCXPCROOJFLN-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634709269 492361872 /nfs/dbraw/zinc/36/18/72/492361872.db2.gz GUDBDGNHRJXMOQ-ROUUACIJSA-N 2 1 367.515 0.495 20 0 FCADMP CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634709269 492361873 /nfs/dbraw/zinc/36/18/73/492361873.db2.gz GUDBDGNHRJXMOQ-ROUUACIJSA-N 2 1 367.515 0.495 20 0 FCADMP C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H]1C[NH3+] ZINC000647820913 492365092 /nfs/dbraw/zinc/36/50/92/492365092.db2.gz MCJHXMROEMZCQF-BRWVUGGUSA-N 2 1 366.506 0.286 20 0 FCADMP COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835052 492369108 /nfs/dbraw/zinc/36/91/08/492369108.db2.gz KKRMDOKMHFIFBI-OAHLLOKOSA-N 2 1 364.490 0.546 20 0 FCADMP COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835052 492369112 /nfs/dbraw/zinc/36/91/12/492369112.db2.gz KKRMDOKMHFIFBI-OAHLLOKOSA-N 2 1 364.490 0.546 20 0 FCADMP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834832 492369213 /nfs/dbraw/zinc/36/92/13/492369213.db2.gz ARGQNRICAQKJNJ-AWEZNQCLSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834832 492369217 /nfs/dbraw/zinc/36/92/17/492369217.db2.gz ARGQNRICAQKJNJ-AWEZNQCLSA-N 2 1 350.463 0.868 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000642645880 492369965 /nfs/dbraw/zinc/36/99/65/492369965.db2.gz CUFCVQPQAFOGHK-QGZVFWFLSA-N 2 1 358.486 0.535 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642645418 492370112 /nfs/dbraw/zinc/37/01/12/492370112.db2.gz KBSYTBWUJUYBEE-BZUAXINKSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000642693357 492374316 /nfs/dbraw/zinc/37/43/16/492374316.db2.gz RXKXOQKMLJCMHF-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000642693357 492374320 /nfs/dbraw/zinc/37/43/20/492374320.db2.gz RXKXOQKMLJCMHF-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP O=C1[C@H](N2CC[NH+](CCN3CC[NH2+]CC3)CC2)CCN1c1ccccc1 ZINC000647884927 492376672 /nfs/dbraw/zinc/37/66/72/492376672.db2.gz MCJAFQUCZMRMPR-LJQANCHMSA-N 2 1 357.502 0.315 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@H]1CCC[NH2+]1 ZINC000647905666 492380683 /nfs/dbraw/zinc/38/06/83/492380683.db2.gz LLPAOFIXBGDPKV-WNRNVDISSA-N 2 1 350.507 0.430 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000642732174 492382345 /nfs/dbraw/zinc/38/23/45/492382345.db2.gz RWDFJJRKVLNFLG-GDBMZVCRSA-N 2 1 354.495 0.332 20 0 FCADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642733858 492382413 /nfs/dbraw/zinc/38/24/13/492382413.db2.gz WTNVUXOMTQLZTP-QGZVFWFLSA-N 2 1 358.486 0.664 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000642732685 492382990 /nfs/dbraw/zinc/38/29/90/492382990.db2.gz QAQNWAGVOLWBRY-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000647937332 492385584 /nfs/dbraw/zinc/38/55/84/492385584.db2.gz VZAZWOQUZTWECF-DOTOQJQBSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000647937332 492385588 /nfs/dbraw/zinc/38/55/88/492385588.db2.gz VZAZWOQUZTWECF-DOTOQJQBSA-N 2 1 350.507 0.907 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978729 492390503 /nfs/dbraw/zinc/39/05/03/492390503.db2.gz XIFNJKOSJCWTFE-ZWKOTPCHSA-N 2 1 372.517 0.837 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000627826195 492393307 /nfs/dbraw/zinc/39/33/07/492393307.db2.gz QVKXNLVHTBZPKE-CQSZACIVSA-N 2 1 350.467 0.231 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000642808981 492396893 /nfs/dbraw/zinc/39/68/93/492396893.db2.gz YKIKMOISKAQKND-MRXNPFEDSA-N 2 1 350.438 0.632 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000642903074 492400140 /nfs/dbraw/zinc/40/01/40/492400140.db2.gz BDHIPERIDLGUQE-OAHLLOKOSA-N 2 1 364.515 0.693 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918533 492403644 /nfs/dbraw/zinc/40/36/44/492403644.db2.gz YCVABSQJJNSPPZ-GOSISDBHSA-N 2 1 373.501 0.763 20 0 FCADMP CCC[C@](C)([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152487 492408855 /nfs/dbraw/zinc/40/88/55/492408855.db2.gz OOTKMYOSZTZGLN-IBGZPJMESA-N 2 1 367.538 0.201 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@@H]3COC)CC2)CC1 ZINC000655166334 492409829 /nfs/dbraw/zinc/40/98/29/492409829.db2.gz ZAZOYYKPMJRASP-QZTJIDSGSA-N 2 1 353.507 0.791 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621779197 492411390 /nfs/dbraw/zinc/41/13/90/492411390.db2.gz BJCRBXXBDMZEJE-BLLLJJGKSA-N 2 1 352.460 0.476 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621779197 492411394 /nfs/dbraw/zinc/41/13/94/492411394.db2.gz BJCRBXXBDMZEJE-BLLLJJGKSA-N 2 1 352.460 0.476 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccsc1 ZINC000621844555 492425212 /nfs/dbraw/zinc/42/52/12/492425212.db2.gz TVJCLJRYFFGARU-CKEIUWERSA-N 2 1 350.488 0.807 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845807 492425974 /nfs/dbraw/zinc/42/59/74/492425974.db2.gz PTEOCZKXXRJLHT-BEFAXECRSA-N 2 1 362.449 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655444243 492442896 /nfs/dbraw/zinc/44/28/96/492442896.db2.gz QUAUSNABROVHRL-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655444243 492442899 /nfs/dbraw/zinc/44/28/99/492442899.db2.gz QUAUSNABROVHRL-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655444244 492443144 /nfs/dbraw/zinc/44/31/44/492443144.db2.gz QUAUSNABROVHRL-LPHOPBHVSA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655444244 492443147 /nfs/dbraw/zinc/44/31/47/492443147.db2.gz QUAUSNABROVHRL-LPHOPBHVSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028518 492443162 /nfs/dbraw/zinc/44/31/62/492443162.db2.gz RHKKFJUWRCPXHN-YZVOILCLSA-N 2 1 364.490 0.038 20 0 FCADMP c1cnc(N2CCN(CCC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)nc1 ZINC000655686753 492476669 /nfs/dbraw/zinc/47/66/69/492476669.db2.gz BZLFCJKHXXIDGF-LJQANCHMSA-N 2 1 374.533 0.832 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478833 /nfs/dbraw/zinc/47/88/33/492478833.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478836 /nfs/dbraw/zinc/47/88/36/492478836.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478840 /nfs/dbraw/zinc/47/88/40/492478840.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 2 1 352.523 0.807 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643486717 492479097 /nfs/dbraw/zinc/47/90/97/492479097.db2.gz FDNMZOOEBLPIMH-RDJZCZTQSA-N 2 1 368.522 0.532 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCO1 ZINC000643494243 492481533 /nfs/dbraw/zinc/48/15/33/492481533.db2.gz WLFKYJMJMCVWOI-QGZVFWFLSA-N 2 1 366.506 0.287 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000643498057 492482465 /nfs/dbraw/zinc/48/24/65/492482465.db2.gz QPKOHFIXJWPLBU-NRKLIOEPSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000643498057 492482469 /nfs/dbraw/zinc/48/24/69/492482469.db2.gz QPKOHFIXJWPLBU-NRKLIOEPSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643531720 492490665 /nfs/dbraw/zinc/49/06/65/492490665.db2.gz ARWBCGPVYHTOTA-NJAFHUGGSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000643531881 492491749 /nfs/dbraw/zinc/49/17/49/492491749.db2.gz RFVJRLFMBOEXJA-XLIONFOSSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000643531860 492492436 /nfs/dbraw/zinc/49/24/36/492492436.db2.gz QOGBIBJHEZVKRJ-SOLBZPMBSA-N 2 1 358.486 0.928 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643532531 492493036 /nfs/dbraw/zinc/49/30/36/492493036.db2.gz SCTCENOPJSIGHG-KZNAEPCWSA-N 2 1 362.518 0.777 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC[N@@H+]1CCOC ZINC000643544987 492496114 /nfs/dbraw/zinc/49/61/14/492496114.db2.gz GENGWWKSICYRJY-OAHLLOKOSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC[N@H+]1CCOC ZINC000643544987 492496118 /nfs/dbraw/zinc/49/61/18/492496118.db2.gz GENGWWKSICYRJY-OAHLLOKOSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[N@@H+]1CCOC ZINC000643545020 492496425 /nfs/dbraw/zinc/49/64/25/492496425.db2.gz OPEWRUVRIJMEDP-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[N@H+]1CCOC ZINC000643545020 492496428 /nfs/dbraw/zinc/49/64/28/492496428.db2.gz OPEWRUVRIJMEDP-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000643549826 492496840 /nfs/dbraw/zinc/49/68/40/492496840.db2.gz TYUXYZCLUDBRLG-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@H]21 ZINC000643549678 492496884 /nfs/dbraw/zinc/49/68/84/492496884.db2.gz BALZTOZFWYSCRN-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)[C@H]2C1 ZINC000643549992 492497506 /nfs/dbraw/zinc/49/75/06/492497506.db2.gz OAHYACVRLAZESH-PVAVHDDUSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643549937 492497931 /nfs/dbraw/zinc/49/79/31/492497931.db2.gz BVIUXGKLUJQYKL-PLYYQAHHSA-N 2 1 374.460 0.631 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC[C@H]21 ZINC000643549853 492498066 /nfs/dbraw/zinc/49/80/66/492498066.db2.gz WRMWEFGEZVWMRT-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643577396 492499389 /nfs/dbraw/zinc/49/93/89/492499389.db2.gz CAYJUZYJDRSZDX-RDGPPVDQSA-N 2 1 370.497 0.567 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643577396 492499394 /nfs/dbraw/zinc/49/93/94/492499394.db2.gz CAYJUZYJDRSZDX-RDGPPVDQSA-N 2 1 370.497 0.567 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643593007 492503163 /nfs/dbraw/zinc/50/31/63/492503163.db2.gz HQMFRDOJTWOJMQ-UHFFFAOYSA-N 2 1 350.463 0.900 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000649283734 492521260 /nfs/dbraw/zinc/52/12/60/492521260.db2.gz BUDMACRXNBXDMH-HZSPNIEDSA-N 2 1 350.467 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000649283734 492521264 /nfs/dbraw/zinc/52/12/64/492521264.db2.gz BUDMACRXNBXDMH-HZSPNIEDSA-N 2 1 350.467 0.430 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934288 492530756 /nfs/dbraw/zinc/53/07/56/492530756.db2.gz OOKRIMDQUHXEBK-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1=O ZINC000635934288 492530761 /nfs/dbraw/zinc/53/07/61/492530761.db2.gz OOKRIMDQUHXEBK-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1=O ZINC000635934288 492530767 /nfs/dbraw/zinc/53/07/67/492530767.db2.gz OOKRIMDQUHXEBK-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP COc1ccc(CN2CC[C@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000635959034 492533774 /nfs/dbraw/zinc/53/37/74/492533774.db2.gz AWYPNRVOAAXHEU-FQEVSTJZSA-N 2 1 372.513 0.975 20 0 FCADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335646 492538143 /nfs/dbraw/zinc/53/81/43/492538143.db2.gz PZKKJOCJGYKQKK-SFHVURJKSA-N 2 1 360.502 0.585 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649346488 492540968 /nfs/dbraw/zinc/54/09/68/492540968.db2.gz KPPLOHPSFORQEL-QGZVFWFLSA-N 2 1 374.485 0.568 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000649352538 492545602 /nfs/dbraw/zinc/54/56/02/492545602.db2.gz UQBPDFNBLMPVHU-SFHVURJKSA-N 2 1 373.501 0.977 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000656084135 492545618 /nfs/dbraw/zinc/54/56/18/492545618.db2.gz VGNPEGIUUFOLBK-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(C[NH2+]C1CCN([C@H]2CCOC2)CC1)NCC[NH+]1CCCCCC1 ZINC000656259577 492566191 /nfs/dbraw/zinc/56/61/91/492566191.db2.gz ANCLBFTXIQLJLC-SFHVURJKSA-N 2 1 352.523 0.822 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000636522784 492609645 /nfs/dbraw/zinc/60/96/45/492609645.db2.gz NGMFGSKOJZKQJM-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656355156 492610057 /nfs/dbraw/zinc/61/00/57/492610057.db2.gz JUQRYEIDFWAIGE-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656355156 492610061 /nfs/dbraw/zinc/61/00/61/492610061.db2.gz JUQRYEIDFWAIGE-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357579 492611753 /nfs/dbraw/zinc/61/17/53/492611753.db2.gz ZMLLTTGCJXWWCG-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656357579 492611755 /nfs/dbraw/zinc/61/17/55/492611755.db2.gz ZMLLTTGCJXWWCG-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656357579 492611759 /nfs/dbraw/zinc/61/17/59/492611759.db2.gz ZMLLTTGCJXWWCG-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000636536379 492612972 /nfs/dbraw/zinc/61/29/72/492612972.db2.gz FWQXYTFBSMSFRW-INIZCTEOSA-N 2 1 350.463 0.493 20 0 FCADMP Nc1nc(N)[nH+]c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000624022098 492613575 /nfs/dbraw/zinc/61/35/75/492613575.db2.gz BSUUCFSIRAKMOJ-UHFFFAOYSA-N 2 1 357.462 0.602 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000624115243 492621551 /nfs/dbraw/zinc/62/15/51/492621551.db2.gz REOFGQGSHADNGK-UHFFFAOYSA-N 2 1 368.522 0.995 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561739 492645307 /nfs/dbraw/zinc/64/53/07/492645307.db2.gz ZCZORRHYDHXAQN-VQTJNVASSA-N 2 1 374.529 0.930 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665023 492653814 /nfs/dbraw/zinc/65/38/14/492653814.db2.gz YTMCYZINTRMMBV-WMLDXEAASA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000629578185 492654883 /nfs/dbraw/zinc/65/48/83/492654883.db2.gz NYORIEDGWCZVEJ-UHFFFAOYSA-N 2 1 354.882 0.896 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000629578185 492654885 /nfs/dbraw/zinc/65/48/85/492654885.db2.gz NYORIEDGWCZVEJ-UHFFFAOYSA-N 2 1 354.882 0.896 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@@H]3[N@H+]3CC[C@H](O)C3)n2)CC1 ZINC000644228832 492673846 /nfs/dbraw/zinc/67/38/46/492673846.db2.gz TUTIOHXSVILVPF-JZXOWHBKSA-N 2 1 373.501 0.551 20 0 FCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650849241 492675863 /nfs/dbraw/zinc/67/58/63/492675863.db2.gz FWUAMBQMQJCJLY-MRXNPFEDSA-N 2 1 352.479 0.092 20 0 FCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650849241 492675864 /nfs/dbraw/zinc/67/58/64/492675864.db2.gz FWUAMBQMQJCJLY-MRXNPFEDSA-N 2 1 352.479 0.092 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000629816010 492687539 /nfs/dbraw/zinc/68/75/39/492687539.db2.gz STHQUJBRHDMIST-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636798385 492697034 /nfs/dbraw/zinc/69/70/34/492697034.db2.gz BVFHKEFGTSBKRE-INIZCTEOSA-N 2 1 350.467 0.992 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636798385 492697038 /nfs/dbraw/zinc/69/70/38/492697038.db2.gz BVFHKEFGTSBKRE-INIZCTEOSA-N 2 1 350.467 0.992 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000651228947 492724328 /nfs/dbraw/zinc/72/43/28/492724328.db2.gz BJXUNLVKJBPEOS-NVXWUHKLSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000651228947 492724332 /nfs/dbraw/zinc/72/43/32/492724332.db2.gz BJXUNLVKJBPEOS-NVXWUHKLSA-N 2 1 361.490 0.813 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000636939819 492733111 /nfs/dbraw/zinc/73/31/11/492733111.db2.gz GRYRZYGFQCFATK-BBWFWOEESA-N 2 1 354.495 0.120 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000636939822 492733233 /nfs/dbraw/zinc/73/32/33/492733233.db2.gz GRYRZYGFQCFATK-IKGGRYGDSA-N 2 1 354.495 0.120 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636960853 492738310 /nfs/dbraw/zinc/73/83/10/492738310.db2.gz NLSBLPDEHPVIKE-QAPCUYQASA-N 2 1 361.490 0.973 20 0 FCADMP CCN1C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000651317226 492741676 /nfs/dbraw/zinc/74/16/76/492741676.db2.gz GQEKPYFKOVXHMJ-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)N2CCC[N@@H+](CC)CC2)[C@H]1c1nccn1C ZINC000625395132 492772779 /nfs/dbraw/zinc/77/27/79/492772779.db2.gz DBXXPUORVOZMBD-HOTGVXAUSA-N 2 1 363.462 0.263 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000644517046 492780157 /nfs/dbraw/zinc/78/01/57/492780157.db2.gz YZKGDOMITYOKKG-QGZVFWFLSA-N 2 1 355.504 0.493 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000644517046 492780160 /nfs/dbraw/zinc/78/01/60/492780160.db2.gz YZKGDOMITYOKKG-QGZVFWFLSA-N 2 1 355.504 0.493 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000637202224 492789419 /nfs/dbraw/zinc/78/94/19/492789419.db2.gz IXJMCXNXZDMHOT-INIZCTEOSA-N 2 1 351.495 0.642 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637280187 492804304 /nfs/dbraw/zinc/80/43/04/492804304.db2.gz JNKPNSDXVBYAOO-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990001 492836465 /nfs/dbraw/zinc/83/64/65/492836465.db2.gz PRSGJESJHDZSGU-MUGJNUQGSA-N 3 1 356.514 0.998 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000651882583 492840189 /nfs/dbraw/zinc/84/01/89/492840189.db2.gz FXPSTNXTPHPWCI-CQSZACIVSA-N 2 1 350.467 0.326 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000658261321 492856532 /nfs/dbraw/zinc/85/65/32/492856532.db2.gz LABUNCVACIQXPU-ZDUSSCGKSA-N 2 1 350.467 0.372 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000658263068 492856547 /nfs/dbraw/zinc/85/65/47/492856547.db2.gz GOFYRQUSVCKXJQ-ZDUSSCGKSA-N 2 1 350.467 0.372 20 0 FCADMP O=C(CN1CCC([NH2+]CCO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000631864429 492865507 /nfs/dbraw/zinc/86/55/07/492865507.db2.gz OTCQYSUCMBHFQE-UHFFFAOYSA-N 2 1 360.502 0.377 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631879717 492867917 /nfs/dbraw/zinc/86/79/17/492867917.db2.gz DVVSUIKSCMUBQF-MRXNPFEDSA-N 2 1 374.551 0.334 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631879717 492867922 /nfs/dbraw/zinc/86/79/22/492867922.db2.gz DVVSUIKSCMUBQF-MRXNPFEDSA-N 2 1 374.551 0.334 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1C ZINC000652165521 492889937 /nfs/dbraw/zinc/88/99/37/492889937.db2.gz SJXZTFBOILEGCD-DZKIICNBSA-N 2 1 364.494 0.914 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638064061 492898844 /nfs/dbraw/zinc/89/88/44/492898844.db2.gz RKJYYSQUKGSBEX-XLIONFOSSA-N 2 1 374.485 0.457 20 0 FCADMP CS(=O)(=O)CC1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000645411599 492904124 /nfs/dbraw/zinc/90/41/24/492904124.db2.gz QSRVCWSYHDDMRV-ABHNRTSZSA-N 2 1 373.563 0.586 20 0 FCADMP CCc1nc(C[NH+]2CCC(CNC(=O)CN3CC[NH2+]CC3)CC2)cs1 ZINC000638110733 492908590 /nfs/dbraw/zinc/90/85/90/492908590.db2.gz PAQKKMAPOGCOLN-UHFFFAOYSA-N 2 1 365.547 0.939 20 0 FCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652348860 492913224 /nfs/dbraw/zinc/91/32/24/492913224.db2.gz UFZOGYWJDVBASS-QZWWFDLISA-N 2 1 359.536 0.876 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)c2cccs2)CC1 ZINC000638135568 492915181 /nfs/dbraw/zinc/91/51/81/492915181.db2.gz UAFYKYLZFINMSG-WMLDXEAASA-N 2 1 352.504 0.531 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000652352314 492915215 /nfs/dbraw/zinc/91/52/15/492915215.db2.gz BHFWGFNJDGYHAF-LPHOPBHVSA-N 2 1 358.490 0.576 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363179 492916119 /nfs/dbraw/zinc/91/61/19/492916119.db2.gz ZNTFFLUYKXQZDZ-NXHRZFHOSA-N 3 1 352.523 0.948 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363179 492916123 /nfs/dbraw/zinc/91/61/23/492916123.db2.gz ZNTFFLUYKXQZDZ-NXHRZFHOSA-N 2 1 352.523 0.948 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140135 492917487 /nfs/dbraw/zinc/91/74/87/492917487.db2.gz VNSKBBHOKVLLKT-IEBWSBKVSA-N 2 1 360.502 0.803 20 0 FCADMP [NH3+]C1(CC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000638226409 492924304 /nfs/dbraw/zinc/92/43/04/492924304.db2.gz ILFVTSKRWLYGSL-RBUKOAKNSA-N 3 1 372.513 0.959 20 0 FCADMP Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000638247288 492925803 /nfs/dbraw/zinc/92/58/03/492925803.db2.gz WYVJVHBBTKBGFY-PXTPFGJHSA-N 2 1 365.481 0.970 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000632112071 492932825 /nfs/dbraw/zinc/93/28/25/492932825.db2.gz MJUNZWANPNSURS-IRXDYDNUSA-N 2 1 358.552 0.370 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349558 492939198 /nfs/dbraw/zinc/93/91/98/492939198.db2.gz QCSMXDMBRSLNPR-CVEARBPZSA-N 2 1 365.522 0.711 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903950 492985987 /nfs/dbraw/zinc/98/59/87/492985987.db2.gz JGDQJSSBMOPPAU-WMZOPIPTSA-N 2 1 369.473 0.817 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000645925859 492988449 /nfs/dbraw/zinc/98/84/49/492988449.db2.gz VMXQAWRSMRRCLL-UHFFFAOYSA-N 2 1 359.474 0.587 20 0 FCADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cnn1C ZINC000638985166 492990158 /nfs/dbraw/zinc/99/01/58/492990158.db2.gz BAZQTSQUIMSXNT-SJORKVTESA-N 2 1 369.473 0.475 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652694532 492992846 /nfs/dbraw/zinc/99/28/46/492992846.db2.gz ADPTZIWRYZMKLC-ROUUACIJSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652694532 492992847 /nfs/dbraw/zinc/99/28/47/492992847.db2.gz ADPTZIWRYZMKLC-ROUUACIJSA-N 2 1 358.486 0.488 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978118 492994891 /nfs/dbraw/zinc/99/48/91/492994891.db2.gz SHHCDTZFGDAXDJ-WMZOPIPTSA-N 2 1 360.506 0.706 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978118 492994893 /nfs/dbraw/zinc/99/48/93/492994893.db2.gz SHHCDTZFGDAXDJ-WMZOPIPTSA-N 2 1 360.506 0.706 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646009439 493000600 /nfs/dbraw/zinc/00/06/00/493000600.db2.gz KBNMUTVHXFPYRH-MJGOQNOKSA-N 2 1 358.486 0.396 20 0 FCADMP C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172075 493000870 /nfs/dbraw/zinc/00/08/70/493000870.db2.gz ICSZXYSXBIGTFA-KRWDZBQOSA-N 2 1 366.531 0.934 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000652725333 493005194 /nfs/dbraw/zinc/00/51/94/493005194.db2.gz DUPBQWOOJGATJH-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000652725333 493005196 /nfs/dbraw/zinc/00/51/96/493005196.db2.gz DUPBQWOOJGATJH-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736598 493013396 /nfs/dbraw/zinc/01/33/96/493013396.db2.gz JLNLTUAKDJJHHW-MOPGFXCFSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736598 493013401 /nfs/dbraw/zinc/01/34/01/493013401.db2.gz JLNLTUAKDJJHHW-MOPGFXCFSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736599 493013749 /nfs/dbraw/zinc/01/37/49/493013749.db2.gz JLNLTUAKDJJHHW-OALUTQOASA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736599 493013752 /nfs/dbraw/zinc/01/37/52/493013752.db2.gz JLNLTUAKDJJHHW-OALUTQOASA-N 2 1 372.513 0.830 20 0 FCADMP Cc1csc(CC2(O)CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000639811008 493052904 /nfs/dbraw/zinc/05/29/04/493052904.db2.gz ZMYJFECKLXIHHI-UHFFFAOYSA-N 2 1 366.531 0.985 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851495 493055802 /nfs/dbraw/zinc/05/58/02/493055802.db2.gz MXDKEKGLHUIJGT-AZUAARDMSA-N 2 1 361.486 0.716 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653113100 493073033 /nfs/dbraw/zinc/07/30/33/493073033.db2.gz SNKHZABWYYWGMM-QGZVFWFLSA-N 2 1 361.490 0.682 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000646666680 493081770 /nfs/dbraw/zinc/08/17/70/493081770.db2.gz WZJCPFDQTSSPIF-MSOLQXFVSA-N 2 1 373.501 0.607 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272002 493088132 /nfs/dbraw/zinc/08/81/32/493088132.db2.gz UXRTYPGZTNIKGU-DLBZAZTESA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000633037240 493108078 /nfs/dbraw/zinc/10/80/78/493108078.db2.gz LOHIAVZIRDXFGI-LZWOXQAQSA-N 2 1 360.458 0.966 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000640611122 493120204 /nfs/dbraw/zinc/12/02/04/493120204.db2.gz BKPWZIWJOFTGPP-QGZVFWFLSA-N 2 1 374.489 0.914 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccn1 ZINC000640611122 493120208 /nfs/dbraw/zinc/12/02/08/493120208.db2.gz BKPWZIWJOFTGPP-QGZVFWFLSA-N 2 1 374.489 0.914 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000653401764 493121661 /nfs/dbraw/zinc/12/16/61/493121661.db2.gz GGQNARJLEBVMMF-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633094499 493122645 /nfs/dbraw/zinc/12/26/45/493122645.db2.gz KCTJILMZVZNKEB-GASCZTMLSA-N 2 1 358.442 0.723 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640618444 493122667 /nfs/dbraw/zinc/12/26/67/493122667.db2.gz KGQQREXWPKUHAP-UHFFFAOYSA-N 2 1 350.467 0.627 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000633106844 493128719 /nfs/dbraw/zinc/12/87/19/493128719.db2.gz XIHDRDYWAURHMU-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633112036 493130582 /nfs/dbraw/zinc/13/05/82/493130582.db2.gz VSBIEMXGCBEAFQ-OTWHNJEPSA-N 2 1 370.497 0.725 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000633115188 493132107 /nfs/dbraw/zinc/13/21/07/493132107.db2.gz HGZABHKKYDPKFY-KBPBESRZSA-N 2 1 350.488 0.383 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633149383 493136693 /nfs/dbraw/zinc/13/66/93/493136693.db2.gz XFWDPQMGMAWWQK-NXHRZFHOSA-N 2 1 358.486 0.915 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627296164 493139419 /nfs/dbraw/zinc/13/94/19/493139419.db2.gz YERZJEGQQOLZOI-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)[C@H]2C1 ZINC000659072850 493140027 /nfs/dbraw/zinc/14/00/27/493140027.db2.gz CYRLVNHMPVXBHA-FHLIZLRMSA-N 2 1 372.469 0.839 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627303123 493142576 /nfs/dbraw/zinc/14/25/76/493142576.db2.gz HYHBEAWIHRVILG-ZWKOTPCHSA-N 2 1 374.485 0.119 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312503 493146870 /nfs/dbraw/zinc/14/68/70/493146870.db2.gz ZXJLPHVXCKVTOD-OIISXLGYSA-N 2 1 360.458 0.043 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000627326533 493154516 /nfs/dbraw/zinc/15/45/16/493154516.db2.gz SJUMRNXJALOAMA-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627328759 493156231 /nfs/dbraw/zinc/15/62/31/493156231.db2.gz MSZBHXBCMOXLKO-IAGOWNOFSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)n1cc(CC[NH3+])nn1 ZINC000641029371 493162925 /nfs/dbraw/zinc/16/29/25/493162925.db2.gz HPJUPYABXZDMHL-OAHLLOKOSA-N 2 1 372.473 0.489 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659429722 493174171 /nfs/dbraw/zinc/17/41/71/493174171.db2.gz ATTPEJVRHKRYQN-TXEJJXNPSA-N 2 1 366.466 0.328 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659429722 493174178 /nfs/dbraw/zinc/17/41/78/493174178.db2.gz ATTPEJVRHKRYQN-TXEJJXNPSA-N 2 1 366.466 0.328 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000659433417 493175633 /nfs/dbraw/zinc/17/56/33/493175633.db2.gz DMQCFGMVPBZRBY-UHFFFAOYSA-N 2 1 356.430 0.498 20 0 FCADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641174844 493176790 /nfs/dbraw/zinc/17/67/90/493176790.db2.gz YJLWMNLFOUGDLY-QGZVFWFLSA-N 2 1 357.458 0.396 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)COCc3cccs3)nn2)CC1 ZINC000641199209 493179423 /nfs/dbraw/zinc/17/94/23/493179423.db2.gz VDJBRMQPHBCECF-MRXNPFEDSA-N 2 1 365.503 0.883 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659286764 493183286 /nfs/dbraw/zinc/18/32/86/493183286.db2.gz DQMFTVLNYPMHBV-INIZCTEOSA-N 2 1 360.462 0.676 20 0 FCADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@@H+](C)C(C)C)nn2)c1 ZINC000641224628 493186122 /nfs/dbraw/zinc/18/61/22/493186122.db2.gz WOBCKIQPCHAFAA-MRXNPFEDSA-N 2 1 360.462 0.804 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000659501163 493200851 /nfs/dbraw/zinc/20/08/51/493200851.db2.gz XETOYJSDGNKXPB-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000659501163 493200855 /nfs/dbraw/zinc/20/08/55/493200855.db2.gz XETOYJSDGNKXPB-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000659501163 493200859 /nfs/dbraw/zinc/20/08/59/493200859.db2.gz XETOYJSDGNKXPB-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000659501163 493200862 /nfs/dbraw/zinc/20/08/62/493200862.db2.gz XETOYJSDGNKXPB-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000627397420 493202257 /nfs/dbraw/zinc/20/22/57/493202257.db2.gz MABOUXLZBHCPNK-OAHLLOKOSA-N 2 1 366.462 0.357 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538763 493208267 /nfs/dbraw/zinc/20/82/67/493208267.db2.gz LYRZYPVIQWJVQQ-QWHCGFSZSA-N 2 1 351.417 0.606 20 0 FCADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH+](C)CC1 ZINC000681765042 493215498 /nfs/dbraw/zinc/21/54/98/493215498.db2.gz VJOOVPKYKFXXQI-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH+](C)CC1 ZINC000681765042 493215501 /nfs/dbraw/zinc/21/55/01/493215501.db2.gz VJOOVPKYKFXXQI-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659611967 493221046 /nfs/dbraw/zinc/22/10/46/493221046.db2.gz UTLRTDWPUCGORY-CAOSSQGBSA-N 2 1 352.479 0.387 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000666928173 493239064 /nfs/dbraw/zinc/23/90/64/493239064.db2.gz GLNLKRMCITZFQX-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000666928173 493239065 /nfs/dbraw/zinc/23/90/65/493239065.db2.gz GLNLKRMCITZFQX-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000659674135 493244684 /nfs/dbraw/zinc/24/46/84/493244684.db2.gz BPKPPPVFJGBCAT-LBPRGKRZSA-N 2 1 365.478 0.344 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000659676174 493246314 /nfs/dbraw/zinc/24/63/14/493246314.db2.gz FPSGSOZCNPLYEE-INIZCTEOSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000681948491 493256177 /nfs/dbraw/zinc/25/61/77/493256177.db2.gz BBACHSJVRUEHPU-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659702799 493262280 /nfs/dbraw/zinc/26/22/80/493262280.db2.gz UXCNQWNJFRSIHC-RCCFBDPRSA-N 2 1 362.518 0.968 20 0 FCADMP CC1(C)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+]1CCO ZINC000682011166 493262564 /nfs/dbraw/zinc/26/25/64/493262564.db2.gz QZAINILFAQEFGZ-UHFFFAOYSA-N 2 1 353.507 0.937 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000659735877 493278609 /nfs/dbraw/zinc/27/86/09/493278609.db2.gz KIWPKNLHLOMDJF-OWCLPIDISA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000659747648 493283670 /nfs/dbraw/zinc/28/36/70/493283670.db2.gz GALFDPUFTWFRAD-BPQIPLTHSA-N 2 1 371.485 0.449 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000673275235 493309816 /nfs/dbraw/zinc/30/98/16/493309816.db2.gz OAPXMWFJPZFCPF-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000660093297 493324164 /nfs/dbraw/zinc/32/41/64/493324164.db2.gz XACDSZGUJKXGTB-QRVBRYPASA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000660093297 493324167 /nfs/dbraw/zinc/32/41/67/493324167.db2.gz XACDSZGUJKXGTB-QRVBRYPASA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000660093297 493324170 /nfs/dbraw/zinc/32/41/70/493324170.db2.gz XACDSZGUJKXGTB-QRVBRYPASA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000673427651 493327424 /nfs/dbraw/zinc/32/74/24/493327424.db2.gz CCLWRANVXGPKHV-IRXDYDNUSA-N 2 1 368.522 0.593 20 0 FCADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000683871558 493375829 /nfs/dbraw/zinc/37/58/29/493375829.db2.gz RCICMHVYHVCTHY-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000683871558 493375834 /nfs/dbraw/zinc/37/58/34/493375834.db2.gz RCICMHVYHVCTHY-AWEZNQCLSA-N 2 1 362.478 0.641 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979979 493379226 /nfs/dbraw/zinc/37/92/26/493379226.db2.gz KVDSSHBOEUOVEI-CRAIPNDOSA-N 2 1 369.579 0.891 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979979 493379228 /nfs/dbraw/zinc/37/92/28/493379228.db2.gz KVDSSHBOEUOVEI-CRAIPNDOSA-N 2 1 369.579 0.891 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585541 493380362 /nfs/dbraw/zinc/38/03/62/493380362.db2.gz PPDZMJIJHARBRY-BRWVUGGUSA-N 2 1 364.490 0.099 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853373 493386549 /nfs/dbraw/zinc/38/65/49/493386549.db2.gz WPQRIXNIWSTPPT-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853373 493386550 /nfs/dbraw/zinc/38/65/50/493386550.db2.gz WPQRIXNIWSTPPT-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853373 493386553 /nfs/dbraw/zinc/38/65/53/493386553.db2.gz WPQRIXNIWSTPPT-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668633998 493387660 /nfs/dbraw/zinc/38/76/60/493387660.db2.gz YLIMYEICQNPRFA-HNNXBMFYSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)c1cc(C(=O)N[C@@H](C)CC[NH+](C)C)n[nH]1 ZINC000668693920 493399078 /nfs/dbraw/zinc/39/90/78/493399078.db2.gz YBFBJYVZPIOQMI-BETUJISGSA-N 2 1 352.483 0.550 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674321576 493408024 /nfs/dbraw/zinc/40/80/24/493408024.db2.gz YWFYZHMCNVQMBO-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674321576 493408026 /nfs/dbraw/zinc/40/80/26/493408026.db2.gz YWFYZHMCNVQMBO-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668788272 493411353 /nfs/dbraw/zinc/41/13/53/493411353.db2.gz YCLUCXOQAOOHFD-MRXNPFEDSA-N 2 1 368.522 0.593 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000668827114 493416735 /nfs/dbraw/zinc/41/67/35/493416735.db2.gz QJTLZMWKIKRVBX-OALUTQOASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000668827114 493416737 /nfs/dbraw/zinc/41/67/37/493416737.db2.gz QJTLZMWKIKRVBX-OALUTQOASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668827114 493416738 /nfs/dbraw/zinc/41/67/38/493416738.db2.gz QJTLZMWKIKRVBX-OALUTQOASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827114 493416740 /nfs/dbraw/zinc/41/67/40/493416740.db2.gz QJTLZMWKIKRVBX-OALUTQOASA-N 2 1 370.497 0.978 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000668992006 493447517 /nfs/dbraw/zinc/44/75/17/493447517.db2.gz JYAYWBGVCXNVRO-OAHLLOKOSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000668992006 493447519 /nfs/dbraw/zinc/44/75/19/493447519.db2.gz JYAYWBGVCXNVRO-OAHLLOKOSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000668992006 493447521 /nfs/dbraw/zinc/44/75/21/493447521.db2.gz JYAYWBGVCXNVRO-OAHLLOKOSA-N 2 1 367.538 0.118 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000669063160 493460124 /nfs/dbraw/zinc/46/01/24/493460124.db2.gz UDWGYQCKWNMQHV-INIZCTEOSA-N 2 1 361.494 0.430 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000675189439 493472908 /nfs/dbraw/zinc/47/29/08/493472908.db2.gz ZKCHXRYPLDKGJT-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685340294 493479320 /nfs/dbraw/zinc/47/93/20/493479320.db2.gz QBKNIDHWPXMDTJ-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685340294 493479323 /nfs/dbraw/zinc/47/93/23/493479323.db2.gz QBKNIDHWPXMDTJ-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340639 493480520 /nfs/dbraw/zinc/48/05/20/493480520.db2.gz AAQXKUMWBWSKJC-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340639 493480522 /nfs/dbraw/zinc/48/05/22/493480522.db2.gz AAQXKUMWBWSKJC-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685340639 493480524 /nfs/dbraw/zinc/48/05/24/493480524.db2.gz AAQXKUMWBWSKJC-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340639 493480526 /nfs/dbraw/zinc/48/05/26/493480526.db2.gz AAQXKUMWBWSKJC-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343313 493482285 /nfs/dbraw/zinc/48/22/85/493482285.db2.gz LXBBVKBEXPDIRV-ZBFHGGJFSA-N 2 1 366.462 0.005 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343313 493482287 /nfs/dbraw/zinc/48/22/87/493482287.db2.gz LXBBVKBEXPDIRV-ZBFHGGJFSA-N 2 1 366.462 0.005 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685501068 493498249 /nfs/dbraw/zinc/49/82/49/493498249.db2.gz AYGKDOQPHWYHBU-GOSISDBHSA-N 2 1 371.485 0.863 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000685520309 493500816 /nfs/dbraw/zinc/50/08/16/493500816.db2.gz DJIRTCBJWUSGEE-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000685520309 493500818 /nfs/dbraw/zinc/50/08/18/493500818.db2.gz DJIRTCBJWUSGEE-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662261676 493500893 /nfs/dbraw/zinc/50/08/93/493500893.db2.gz MIBNQMGNTAOALG-FGTMMUONSA-N 2 1 364.534 0.820 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662260983 493501043 /nfs/dbraw/zinc/50/10/43/493501043.db2.gz SIIGILWELAVHID-KZNAEPCWSA-N 2 1 364.534 0.630 20 0 FCADMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000662286307 493502330 /nfs/dbraw/zinc/50/23/30/493502330.db2.gz ZAETYKCZAUTMDW-UHFFFAOYSA-N 2 1 360.458 0.846 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296735 493504534 /nfs/dbraw/zinc/50/45/34/493504534.db2.gz MHZWFQDGGXEHOJ-QGZVFWFLSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000669444055 493504540 /nfs/dbraw/zinc/50/45/40/493504540.db2.gz QBRYVTCKEFHOHG-OAGGEKHMSA-N 2 1 353.511 0.698 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000662313514 493505394 /nfs/dbraw/zinc/50/53/94/493505394.db2.gz TXGZAVLTPZFRGX-BZUAXINKSA-N 2 1 359.536 0.861 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000662313514 493505396 /nfs/dbraw/zinc/50/53/96/493505396.db2.gz TXGZAVLTPZFRGX-BZUAXINKSA-N 2 1 359.536 0.861 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486427 493506931 /nfs/dbraw/zinc/50/69/31/493506931.db2.gz FATWCZZYJAXVGG-GVDBMIGSSA-N 2 1 353.511 0.210 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1=CC[NH2+]CC1 ZINC000669488041 493507253 /nfs/dbraw/zinc/50/72/53/493507253.db2.gz DSONGEYJDYURIA-INIZCTEOSA-N 2 1 358.490 0.811 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000662352623 493509050 /nfs/dbraw/zinc/50/90/50/493509050.db2.gz YNTWLHVJEOHONT-RYQLBKOJSA-N 2 1 363.506 0.505 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000662366272 493509779 /nfs/dbraw/zinc/50/97/79/493509779.db2.gz NMSXAAXZEXMQCB-UHFFFAOYSA-N 2 1 358.446 0.594 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000662366272 493509783 /nfs/dbraw/zinc/50/97/83/493509783.db2.gz NMSXAAXZEXMQCB-UHFFFAOYSA-N 2 1 358.446 0.594 20 0 FCADMP Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662365177 493509999 /nfs/dbraw/zinc/50/99/99/493509999.db2.gz PTSFXNUQTMCFDL-YDHLFZDLSA-N 2 1 364.494 0.739 20 0 FCADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000662443386 493516014 /nfs/dbraw/zinc/51/60/14/493516014.db2.gz KVBKWDWZTQZFSO-QGZVFWFLSA-N 2 1 361.490 0.833 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662704530 493533107 /nfs/dbraw/zinc/53/31/07/493533107.db2.gz DCCOQWXCIOEXFL-IAOVAPTHSA-N 2 1 359.474 0.860 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702424 493533199 /nfs/dbraw/zinc/53/31/99/493533199.db2.gz AAGNWSXCLQYIOJ-ABAIWWIYSA-N 2 1 354.401 0.668 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702424 493533201 /nfs/dbraw/zinc/53/32/01/493533201.db2.gz AAGNWSXCLQYIOJ-ABAIWWIYSA-N 2 1 354.401 0.668 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662704903 493533334 /nfs/dbraw/zinc/53/33/34/493533334.db2.gz JMLGNTZIKAPFER-ARFHVFGLSA-N 2 1 364.490 0.004 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717601 493534239 /nfs/dbraw/zinc/53/42/39/493534239.db2.gz PVSCSVCSUUJTEV-KSZLIROESA-N 2 1 374.485 0.364 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCO[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750106 493536969 /nfs/dbraw/zinc/53/69/69/493536969.db2.gz PRILNAZLHVRVCL-WBAXXEDZSA-N 2 1 363.458 0.758 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCO[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750106 493536971 /nfs/dbraw/zinc/53/69/71/493536971.db2.gz PRILNAZLHVRVCL-WBAXXEDZSA-N 2 1 363.458 0.758 20 0 FCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662756484 493539562 /nfs/dbraw/zinc/53/95/62/493539562.db2.gz IFACFXTZMVWGHH-DLBZAZTESA-N 2 1 350.438 0.428 20 0 FCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662817261 493544849 /nfs/dbraw/zinc/54/48/49/493544849.db2.gz UFTLFIDNWQMGDH-MAUKXSAKSA-N 2 1 361.490 0.947 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000662929128 493555054 /nfs/dbraw/zinc/55/50/54/493555054.db2.gz ZDFYREHVCPDBRR-ZNMIVQPWSA-N 2 1 354.495 0.282 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000662929128 493555056 /nfs/dbraw/zinc/55/50/56/493555056.db2.gz ZDFYREHVCPDBRR-ZNMIVQPWSA-N 2 1 354.495 0.282 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662941718 493557539 /nfs/dbraw/zinc/55/75/39/493557539.db2.gz AXZKUSBSFPFBPP-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946844 493559195 /nfs/dbraw/zinc/55/91/95/493559195.db2.gz DEENMCNPEMHWPG-RTBURBONSA-N 2 1 372.513 0.972 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000662954360 493560427 /nfs/dbraw/zinc/56/04/27/493560427.db2.gz UUQGBWFVHCLIKC-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000670526569 493576907 /nfs/dbraw/zinc/57/69/07/493576907.db2.gz QPYJGTITVZIBEF-UKRRQHHQSA-N 2 1 350.463 0.845 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546694 493579540 /nfs/dbraw/zinc/57/95/40/493579540.db2.gz BFNZTEGVQLBJEW-HUUCEWRRSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546694 493579542 /nfs/dbraw/zinc/57/95/42/493579542.db2.gz BFNZTEGVQLBJEW-HUUCEWRRSA-N 2 1 359.474 0.544 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000670671326 493587328 /nfs/dbraw/zinc/58/73/28/493587328.db2.gz OQQNFKQCWDSFIQ-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000670671326 493587331 /nfs/dbraw/zinc/58/73/31/493587331.db2.gz OQQNFKQCWDSFIQ-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000670671326 493587334 /nfs/dbraw/zinc/58/73/34/493587334.db2.gz OQQNFKQCWDSFIQ-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670709289 493589397 /nfs/dbraw/zinc/58/93/97/493589397.db2.gz SYAHCIHQLDAJDC-KRWDZBQOSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670787489 493596951 /nfs/dbraw/zinc/59/69/51/493596951.db2.gz CAWZWAOPTDCADT-ZBFHGGJFSA-N 2 1 355.442 0.736 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000663556684 493598343 /nfs/dbraw/zinc/59/83/43/493598343.db2.gz LVHOXRUOYWUAGF-ULQDDVLXSA-N 2 1 356.511 0.440 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC(C)C ZINC000670834629 493603574 /nfs/dbraw/zinc/60/35/74/493603574.db2.gz WNWPEVUBQPWEER-YESZJQIVSA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000670834629 493603577 /nfs/dbraw/zinc/60/35/77/493603577.db2.gz WNWPEVUBQPWEER-YESZJQIVSA-N 2 1 370.538 0.694 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033115 493624953 /nfs/dbraw/zinc/62/49/53/493624953.db2.gz FXIBHZARIAZZSF-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000671033539 493625563 /nfs/dbraw/zinc/62/55/63/493625563.db2.gz XFUMZLIAWFXJHV-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000671033539 493625565 /nfs/dbraw/zinc/62/55/65/493625565.db2.gz XFUMZLIAWFXJHV-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000671033539 493625566 /nfs/dbraw/zinc/62/55/66/493625566.db2.gz XFUMZLIAWFXJHV-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000671033539 493625568 /nfs/dbraw/zinc/62/55/68/493625568.db2.gz XFUMZLIAWFXJHV-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091511 493632084 /nfs/dbraw/zinc/63/20/84/493632084.db2.gz NSGOTABJCAOSIQ-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(N2CCC[C@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)nc(C)[nH+]1 ZINC000664047511 493632135 /nfs/dbraw/zinc/63/21/35/493632135.db2.gz OCQLFXRXXVVYJP-JYJNAYRXSA-N 2 1 362.478 0.379 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080729 493633460 /nfs/dbraw/zinc/63/34/60/493633460.db2.gz GQRNZUPQNQKCOA-UXHICEINSA-N 2 1 374.529 0.893 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@@H](O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080729 493633462 /nfs/dbraw/zinc/63/34/62/493633462.db2.gz GQRNZUPQNQKCOA-UXHICEINSA-N 2 1 374.529 0.893 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@@H](O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080729 493633466 /nfs/dbraw/zinc/63/34/66/493633466.db2.gz GQRNZUPQNQKCOA-UXHICEINSA-N 2 1 374.529 0.893 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000671102357 493633526 /nfs/dbraw/zinc/63/35/26/493633526.db2.gz YIFMIPFIHPBZDA-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102357 493633529 /nfs/dbraw/zinc/63/35/29/493633529.db2.gz YIFMIPFIHPBZDA-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102357 493633530 /nfs/dbraw/zinc/63/35/30/493633530.db2.gz YIFMIPFIHPBZDA-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103799 493634279 /nfs/dbraw/zinc/63/42/79/493634279.db2.gz IYVMTPAHELBXIW-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000671109292 493636312 /nfs/dbraw/zinc/63/63/12/493636312.db2.gz UEORFYVNRVZRLI-IAGOWNOFSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000671109292 493636315 /nfs/dbraw/zinc/63/63/15/493636315.db2.gz UEORFYVNRVZRLI-IAGOWNOFSA-N 2 1 371.485 0.782 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000671134667 493641860 /nfs/dbraw/zinc/64/18/60/493641860.db2.gz IEYLSWZZXMKWJD-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181565 493642472 /nfs/dbraw/zinc/64/24/72/493642472.db2.gz KNTIRTRQWRIYRN-KGLIPLIRSA-N 2 1 353.467 0.500 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671370794 493661474 /nfs/dbraw/zinc/66/14/74/493661474.db2.gz QWVQSAMBLCUKBF-OLMMMNRUSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671370794 493661475 /nfs/dbraw/zinc/66/14/75/493661475.db2.gz QWVQSAMBLCUKBF-OLMMMNRUSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCSC1 ZINC000679508623 493684318 /nfs/dbraw/zinc/68/43/18/493684318.db2.gz OFVAOSPSTWOTCI-QGZVFWFLSA-N 2 1 374.470 0.759 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000679512751 493685723 /nfs/dbraw/zinc/68/57/23/493685723.db2.gz LVJZPJPKVZZOLN-DZGCQCFKSA-N 2 1 354.414 0.758 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000679512751 493685725 /nfs/dbraw/zinc/68/57/25/493685725.db2.gz LVJZPJPKVZZOLN-DZGCQCFKSA-N 2 1 354.414 0.758 20 0 FCADMP C[C@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+](C)C ZINC000664884001 493688699 /nfs/dbraw/zinc/68/86/99/493688699.db2.gz UCGDKIKURHTQGW-WZYMTQMTSA-N 2 1 353.511 0.709 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820098 493707769 /nfs/dbraw/zinc/70/77/69/493707769.db2.gz GNGZUBJZRIXRIR-NVXWUHKLSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820098 493707771 /nfs/dbraw/zinc/70/77/71/493707771.db2.gz GNGZUBJZRIXRIR-NVXWUHKLSA-N 2 1 367.538 0.070 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000671849291 493708530 /nfs/dbraw/zinc/70/85/30/493708530.db2.gz UBPNSHRHXRJNEH-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665460680 493715958 /nfs/dbraw/zinc/71/59/58/493715958.db2.gz RSOUEHQPLPSDLR-SFHVURJKSA-N 2 1 354.495 0.243 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000671963577 493719630 /nfs/dbraw/zinc/71/96/30/493719630.db2.gz STBMCWQDOONNFC-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672013816 493724924 /nfs/dbraw/zinc/72/49/24/493724924.db2.gz NWOVTCIKXPYDBP-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672013816 493724925 /nfs/dbraw/zinc/72/49/25/493724925.db2.gz NWOVTCIKXPYDBP-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099059 493735308 /nfs/dbraw/zinc/73/53/08/493735308.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099059 493735310 /nfs/dbraw/zinc/73/53/10/493735310.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099059 493735311 /nfs/dbraw/zinc/73/53/11/493735311.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672099059 493735312 /nfs/dbraw/zinc/73/53/12/493735312.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672099059 493735314 /nfs/dbraw/zinc/73/53/14/493735314.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672165604 493739871 /nfs/dbraw/zinc/73/98/71/493739871.db2.gz JWYIJTOYUDLFFW-KRWDZBQOSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000665887249 493742804 /nfs/dbraw/zinc/74/28/04/493742804.db2.gz HRHJKNJICZDCAN-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308751 493753270 /nfs/dbraw/zinc/75/32/70/493753270.db2.gz BFTBGIVAKXDPHL-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672311973 493754706 /nfs/dbraw/zinc/75/47/06/493754706.db2.gz XMRKAKQMUZATNS-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672311973 493754708 /nfs/dbraw/zinc/75/47/08/493754708.db2.gz XMRKAKQMUZATNS-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311973 493754710 /nfs/dbraw/zinc/75/47/10/493754710.db2.gz XMRKAKQMUZATNS-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000410501418 533795209 /nfs/dbraw/zinc/79/52/09/533795209.db2.gz UMBBPATXTWYGDH-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000410501418 533795216 /nfs/dbraw/zinc/79/52/16/533795216.db2.gz UMBBPATXTWYGDH-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000188891014 533957694 /nfs/dbraw/zinc/95/76/94/533957694.db2.gz LLTBXSOCEONTEP-INIZCTEOSA-N 2 1 362.522 0.505 20 0 FCADMP C[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1CC(C)(C)O ZINC000188891014 533957704 /nfs/dbraw/zinc/95/77/04/533957704.db2.gz LLTBXSOCEONTEP-INIZCTEOSA-N 2 1 362.522 0.505 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410479934 534019277 /nfs/dbraw/zinc/01/92/77/534019277.db2.gz XMJNHNHQRNXDHP-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[C@H](C)[N@H+]1C ZINC000410847629 534289742 /nfs/dbraw/zinc/28/97/42/534289742.db2.gz WZVJJQMMQXTCAX-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[C@H](C)[N@@H+]1C ZINC000410847629 534289744 /nfs/dbraw/zinc/28/97/44/534289744.db2.gz WZVJJQMMQXTCAX-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)[NH+]1C ZINC000410847629 534289746 /nfs/dbraw/zinc/28/97/46/534289746.db2.gz WZVJJQMMQXTCAX-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)[NH+]1C ZINC000410847629 534289748 /nfs/dbraw/zinc/28/97/48/534289748.db2.gz WZVJJQMMQXTCAX-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@H](C)[NH3+] ZINC000423390045 534914915 /nfs/dbraw/zinc/91/49/15/534914915.db2.gz VPGABISIYVGMHK-BBRMVZONSA-N 2 1 350.467 0.215 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419950828 536449134 /nfs/dbraw/zinc/44/91/34/536449134.db2.gz MWYGQKUWUIWEKT-CQSZACIVSA-N 2 1 352.504 0.407 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424520139 536496686 /nfs/dbraw/zinc/49/66/86/536496686.db2.gz KLPOACDSBHRPKM-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000410779954 527802742 /nfs/dbraw/zinc/80/27/42/527802742.db2.gz NSHWABPZYDJZDD-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000410779954 527802744 /nfs/dbraw/zinc/80/27/44/527802744.db2.gz NSHWABPZYDJZDD-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000410779954 527802748 /nfs/dbraw/zinc/80/27/48/527802748.db2.gz NSHWABPZYDJZDD-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000410494961 527823884 /nfs/dbraw/zinc/82/38/84/527823884.db2.gz UBDDVXZZYHRWTJ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410911948 528065156 /nfs/dbraw/zinc/06/51/56/528065156.db2.gz SONRTDJIRQXOHY-QGZVFWFLSA-N 2 1 368.522 0.357 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000410477375 528145307 /nfs/dbraw/zinc/14/53/07/528145307.db2.gz TUZWCDXKQBNHIL-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262088503 528355576 /nfs/dbraw/zinc/35/55/76/528355576.db2.gz RKYQVFYNCSUHDQ-XDNAFOTISA-N 2 1 352.523 0.626 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262088503 528355584 /nfs/dbraw/zinc/35/55/84/528355584.db2.gz RKYQVFYNCSUHDQ-XDNAFOTISA-N 2 1 352.523 0.626 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410807092 528433971 /nfs/dbraw/zinc/43/39/71/528433971.db2.gz HKFAIKSLLDITSY-KRWDZBQOSA-N 2 1 352.523 0.977 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410799094 528446074 /nfs/dbraw/zinc/44/60/74/528446074.db2.gz DDAJWPUMIVWMSX-LJQANCHMSA-N 2 1 350.507 0.875 20 0 FCADMP CC(C)[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)N1CC[NH+](C)CC1 ZINC000173911518 528457487 /nfs/dbraw/zinc/45/74/87/528457487.db2.gz JIELMEXMTQKDJW-MRXNPFEDSA-N 2 1 365.526 0.838 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000410697663 528738742 /nfs/dbraw/zinc/73/87/42/528738742.db2.gz LQSOYSHPPVZULF-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000410697663 528738746 /nfs/dbraw/zinc/73/87/46/528738746.db2.gz LQSOYSHPPVZULF-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410697663 528738751 /nfs/dbraw/zinc/73/87/51/528738751.db2.gz LQSOYSHPPVZULF-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410697663 528738754 /nfs/dbraw/zinc/73/87/54/528738754.db2.gz LQSOYSHPPVZULF-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000410697662 528739067 /nfs/dbraw/zinc/73/90/67/528739067.db2.gz LQSOYSHPPVZULF-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000410697662 528739069 /nfs/dbraw/zinc/73/90/69/528739069.db2.gz LQSOYSHPPVZULF-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410697662 528739076 /nfs/dbraw/zinc/73/90/76/528739076.db2.gz LQSOYSHPPVZULF-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410697662 528739084 /nfs/dbraw/zinc/73/90/84/528739084.db2.gz LQSOYSHPPVZULF-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410699783 528739370 /nfs/dbraw/zinc/73/93/70/528739370.db2.gz QWGBEJFIJKMRDT-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410699783 528739371 /nfs/dbraw/zinc/73/93/71/528739371.db2.gz QWGBEJFIJKMRDT-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410699783 528739373 /nfs/dbraw/zinc/73/93/73/528739373.db2.gz QWGBEJFIJKMRDT-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410699783 528739375 /nfs/dbraw/zinc/73/93/75/528739375.db2.gz QWGBEJFIJKMRDT-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410702836 528739515 /nfs/dbraw/zinc/73/95/15/528739515.db2.gz XFDJYUBEAXUOQX-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410702836 528739519 /nfs/dbraw/zinc/73/95/19/528739519.db2.gz XFDJYUBEAXUOQX-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C(C)C ZINC000410516309 528887466 /nfs/dbraw/zinc/88/74/66/528887466.db2.gz DIUVJUJOHJOHQS-IRXDYDNUSA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C(C)C ZINC000410516309 528887472 /nfs/dbraw/zinc/88/74/72/528887472.db2.gz DIUVJUJOHJOHQS-IRXDYDNUSA-N 2 1 370.538 0.477 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000411698625 528978717 /nfs/dbraw/zinc/97/87/17/528978717.db2.gz XFRLFOYPPVXPEE-CQSZACIVSA-N 2 1 364.494 0.916 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000411698625 528978721 /nfs/dbraw/zinc/97/87/21/528978721.db2.gz XFRLFOYPPVXPEE-CQSZACIVSA-N 2 1 364.494 0.916 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000411017465 529057646 /nfs/dbraw/zinc/05/76/46/529057646.db2.gz BRWHAQOZJVJLMB-IAGOWNOFSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000411017465 529057653 /nfs/dbraw/zinc/05/76/53/529057653.db2.gz BRWHAQOZJVJLMB-IAGOWNOFSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000262082233 529125760 /nfs/dbraw/zinc/12/57/60/529125760.db2.gz TXPHNFQCMVMJEW-MSOLQXFVSA-N 2 1 374.485 0.838 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423920460 535045863 /nfs/dbraw/zinc/04/58/63/535045863.db2.gz GEUWDERQDAJPMI-YDHLFZDLSA-N 2 1 352.458 0.901 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419971896 535069286 /nfs/dbraw/zinc/06/92/86/535069286.db2.gz FPPHEQKIUQCIDP-OAHLLOKOSA-N 2 1 352.504 0.534 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419698577 535071673 /nfs/dbraw/zinc/07/16/73/535071673.db2.gz PVONFDVJTRUNSV-ARFHVFGLSA-N 2 1 368.522 0.842 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419150808 535076116 /nfs/dbraw/zinc/07/61/16/535076116.db2.gz LUMCZEXEYQVBQA-BBWFWOEESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419130129 535076883 /nfs/dbraw/zinc/07/68/83/535076883.db2.gz AQMCLELXEUIHSR-QFBILLFUSA-N 2 1 350.507 0.683 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000414711297 535090293 /nfs/dbraw/zinc/09/02/93/535090293.db2.gz HNRCJNGJCOFMHJ-HNNXBMFYSA-N 2 1 359.474 0.636 20 0 FCADMP CCC(CC)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCOCC1 ZINC000423339955 535143688 /nfs/dbraw/zinc/14/36/88/535143688.db2.gz ZZIGTNMZOZTCCB-INIZCTEOSA-N 2 1 352.483 0.494 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423663016 535187307 /nfs/dbraw/zinc/18/73/07/535187307.db2.gz NLFSDLVNILKKIS-LJQANCHMSA-N 2 1 372.513 0.974 20 0 FCADMP CCCN(C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000419386900 535189430 /nfs/dbraw/zinc/18/94/30/535189430.db2.gz DXYRMKLVDAKOGI-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CCCN(C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000419386900 535189435 /nfs/dbraw/zinc/18/94/35/535189435.db2.gz DXYRMKLVDAKOGI-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639973 535206849 /nfs/dbraw/zinc/20/68/49/535206849.db2.gz VXDYEFBLSCONID-OLZOCXBDSA-N 2 1 352.401 0.048 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000419966620 535304382 /nfs/dbraw/zinc/30/43/82/535304382.db2.gz YTOJQUNKIKTUAQ-LSDHHAIUSA-N 2 1 354.495 0.188 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419168087 535509178 /nfs/dbraw/zinc/50/91/78/535509178.db2.gz JZLMCCXMASQALL-AEFFLSMTSA-N 2 1 360.502 0.781 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419209505 535509677 /nfs/dbraw/zinc/50/96/77/535509677.db2.gz BMUNUZMZVQLDKJ-CHWSQXEVSA-N 2 1 352.504 0.725 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419209505 535509683 /nfs/dbraw/zinc/50/96/83/535509683.db2.gz BMUNUZMZVQLDKJ-CHWSQXEVSA-N 2 1 352.504 0.725 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423682592 535558528 /nfs/dbraw/zinc/55/85/28/535558528.db2.gz GOPHRSRPRMOPEM-BPQIPLTHSA-N 2 1 358.486 0.882 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1)CC1CC1 ZINC000423482003 535713864 /nfs/dbraw/zinc/71/38/64/535713864.db2.gz XIKQTVNQDFQXCV-KRWDZBQOSA-N 2 1 350.507 0.907 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423621909 535732591 /nfs/dbraw/zinc/73/25/91/535732591.db2.gz LLCJSEWSSHLYHJ-HOTGVXAUSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423621909 535732596 /nfs/dbraw/zinc/73/25/96/535732596.db2.gz LLCJSEWSSHLYHJ-HOTGVXAUSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423529608 535733237 /nfs/dbraw/zinc/73/32/37/535733237.db2.gz QAMQUVOSHOUPSH-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC[N@H+]1CCOC ZINC000423529608 535733243 /nfs/dbraw/zinc/73/32/43/535733243.db2.gz QAMQUVOSHOUPSH-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423925700 535953966 /nfs/dbraw/zinc/95/39/66/535953966.db2.gz NVZXAZJWLSSJIW-ABHRYQDASA-N 2 1 352.458 0.949 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000423615735 536367382 /nfs/dbraw/zinc/36/73/82/536367382.db2.gz VHNGIRLVSIWWGJ-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419221462 536368972 /nfs/dbraw/zinc/36/89/72/536368972.db2.gz AQJSBOHGSHRUNE-JQHSSLGASA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613921 536416493 /nfs/dbraw/zinc/41/64/93/536416493.db2.gz RXEYAZUYOHHBEX-RXVVDRJESA-N 2 1 370.497 0.931 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480755 536416550 /nfs/dbraw/zinc/41/65/50/536416550.db2.gz PQZFIMOOQCLKQY-KSZLIROESA-N 2 1 356.470 0.397 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146534 536450011 /nfs/dbraw/zinc/45/00/11/536450011.db2.gz BGDMZUNESXOAIY-SJLPKXTDSA-N 2 1 360.502 0.639 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423589741 536466105 /nfs/dbraw/zinc/46/61/05/536466105.db2.gz HKGIJAVXUITSEJ-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000415074701 536469934 /nfs/dbraw/zinc/46/99/34/536469934.db2.gz APRPSISPNGCLTC-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000415074701 536469936 /nfs/dbraw/zinc/46/99/36/536469936.db2.gz APRPSISPNGCLTC-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C1CC1 ZINC000419763964 536481343 /nfs/dbraw/zinc/48/13/43/536481343.db2.gz OUHJDZPUTUFDIY-AEFFLSMTSA-N 2 1 358.486 0.820 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419773589 536481434 /nfs/dbraw/zinc/48/14/34/536481434.db2.gz ZSDNZLLOEBSJGD-ROUUACIJSA-N 2 1 358.486 0.881 20 0 FCADMP COC[C@]1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000423360519 536660321 /nfs/dbraw/zinc/66/03/21/536660321.db2.gz WCAUTRFCJGOTFO-IBGZPJMESA-N 2 1 360.458 0.639 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000080065120 546568315 /nfs/dbraw/zinc/56/83/15/546568315.db2.gz MIHZSMMGFHZVNC-QGZVFWFLSA-N 2 1 356.511 0.753 20 0 FCADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000093583087 546592045 /nfs/dbraw/zinc/59/20/45/546592045.db2.gz WLJBJFGNJJZSMQ-SFHVURJKSA-N 2 1 351.491 0.752 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152398595 546917214 /nfs/dbraw/zinc/91/72/14/546917214.db2.gz FACIFANYASOTCA-NVXWUHKLSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152398595 546917217 /nfs/dbraw/zinc/91/72/17/546917217.db2.gz FACIFANYASOTCA-NVXWUHKLSA-N 2 1 356.511 0.848 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@@H+]1C[C@H](C)O ZINC000433406293 546922048 /nfs/dbraw/zinc/92/20/48/546922048.db2.gz NNKDUJADXWJFAE-RRFJBIMHSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@H+]1C[C@H](C)O ZINC000433406293 546922053 /nfs/dbraw/zinc/92/20/53/546922053.db2.gz NNKDUJADXWJFAE-RRFJBIMHSA-N 2 1 350.467 0.120 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000550623091 547092027 /nfs/dbraw/zinc/09/20/27/547092027.db2.gz RTZJRSLHMSLYBJ-PBHICJAKSA-N 2 1 353.488 0.758 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550654461 547093997 /nfs/dbraw/zinc/09/39/97/547093997.db2.gz OTIAERAVOGVLMU-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550690544 547098558 /nfs/dbraw/zinc/09/85/58/547098558.db2.gz JHDKRCFDBZLTGV-WMLDXEAASA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550907615 547115330 /nfs/dbraw/zinc/11/53/30/547115330.db2.gz SUGTWBXVYCOYCS-UHFFFAOYSA-N 2 1 354.520 0.142 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000550952357 547117106 /nfs/dbraw/zinc/11/71/06/547117106.db2.gz SALLWYHROGUBMU-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+](C)CCOC)C[C@@H]1C ZINC000550952357 547117109 /nfs/dbraw/zinc/11/71/09/547117109.db2.gz SALLWYHROGUBMU-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+](C)CCOC)C[C@@H]1C ZINC000550952357 547117113 /nfs/dbraw/zinc/11/71/13/547117113.db2.gz SALLWYHROGUBMU-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043026 547122783 /nfs/dbraw/zinc/12/27/83/547122783.db2.gz RIWVJDZGYACGPN-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000551043026 547122787 /nfs/dbraw/zinc/12/27/87/547122787.db2.gz RIWVJDZGYACGPN-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000551043026 547122790 /nfs/dbraw/zinc/12/27/90/547122790.db2.gz RIWVJDZGYACGPN-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551138544 547128027 /nfs/dbraw/zinc/12/80/27/547128027.db2.gz ZPGOJCHZFOKBPI-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000551138544 547128033 /nfs/dbraw/zinc/12/80/33/547128033.db2.gz ZPGOJCHZFOKBPI-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000551138544 547128038 /nfs/dbraw/zinc/12/80/38/547128038.db2.gz ZPGOJCHZFOKBPI-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000551499697 547149025 /nfs/dbraw/zinc/14/90/25/547149025.db2.gz VWUIBRUBJBCXFA-LTIDMASMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551499697 547149029 /nfs/dbraw/zinc/14/90/29/547149029.db2.gz VWUIBRUBJBCXFA-LTIDMASMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551499697 547149032 /nfs/dbraw/zinc/14/90/32/547149032.db2.gz VWUIBRUBJBCXFA-LTIDMASMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624555 547156559 /nfs/dbraw/zinc/15/65/59/547156559.db2.gz WDOXGMIWKKJGRU-XJKSGUPXSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000552364058 547205436 /nfs/dbraw/zinc/20/54/36/547205436.db2.gz UBCNKMBHNMQVDN-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000552634831 547220921 /nfs/dbraw/zinc/22/09/21/547220921.db2.gz OUILUOGNEXADGE-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000553359650 547271704 /nfs/dbraw/zinc/27/17/04/547271704.db2.gz AVGCIQKASYZMBA-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553359650 547271706 /nfs/dbraw/zinc/27/17/06/547271706.db2.gz AVGCIQKASYZMBA-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000553359650 547271708 /nfs/dbraw/zinc/27/17/08/547271708.db2.gz AVGCIQKASYZMBA-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000553542999 547286926 /nfs/dbraw/zinc/28/69/26/547286926.db2.gz OTTTUWCOGFYXQK-PMPSAXMXSA-N 2 1 351.495 0.594 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686781 547300512 /nfs/dbraw/zinc/30/05/12/547300512.db2.gz JZEOZXPBSZROJF-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000553686781 547300515 /nfs/dbraw/zinc/30/05/15/547300515.db2.gz JZEOZXPBSZROJF-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000553686781 547300519 /nfs/dbraw/zinc/30/05/19/547300519.db2.gz JZEOZXPBSZROJF-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000475723660 547334740 /nfs/dbraw/zinc/33/47/40/547334740.db2.gz PWSHROFIEFHUGT-ZSYWTGECSA-N 2 1 357.539 0.889 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000948994713 674391577 /nfs/dbraw/zinc/39/15/77/674391577.db2.gz GLOCQVUAIYEQHF-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C ZINC000950248442 674423518 /nfs/dbraw/zinc/42/35/18/674423518.db2.gz XHZQNVZXXULCCP-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC000950248442 674423520 /nfs/dbraw/zinc/42/35/20/674423520.db2.gz XHZQNVZXXULCCP-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC000950248442 674423522 /nfs/dbraw/zinc/42/35/22/674423522.db2.gz XHZQNVZXXULCCP-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269369 598518391 /nfs/dbraw/zinc/51/83/91/598518391.db2.gz WLADPYAXXBAOCA-KBPBESRZSA-N 2 1 359.482 0.959 20 0 FCADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738393084 599491274 /nfs/dbraw/zinc/49/12/74/599491274.db2.gz IOISPIDHXXRMSF-OAHLLOKOSA-N 2 1 370.461 0.841 20 0 FCADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738393082 599491861 /nfs/dbraw/zinc/49/18/61/599491861.db2.gz IOISPIDHXXRMSF-HNNXBMFYSA-N 2 1 370.461 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000954664643 674502733 /nfs/dbraw/zinc/50/27/33/674502733.db2.gz FONYXXNNLWHASM-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496831 665719396 /nfs/dbraw/zinc/71/93/96/665719396.db2.gz KJNVXORUGKLPFI-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496831 665719398 /nfs/dbraw/zinc/71/93/98/665719398.db2.gz KJNVXORUGKLPFI-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496831 665719399 /nfs/dbraw/zinc/71/93/99/665719399.db2.gz KJNVXORUGKLPFI-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729588571 665732484 /nfs/dbraw/zinc/73/24/84/665732484.db2.gz SMDNIJNVAFKDKJ-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729588571 665732485 /nfs/dbraw/zinc/73/24/85/665732485.db2.gz SMDNIJNVAFKDKJ-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729588571 665732486 /nfs/dbraw/zinc/73/24/86/665732486.db2.gz SMDNIJNVAFKDKJ-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000990004619 665837604 /nfs/dbraw/zinc/83/76/04/665837604.db2.gz GPSDLMHBDZGJEX-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000990004619 665837606 /nfs/dbraw/zinc/83/76/06/665837606.db2.gz GPSDLMHBDZGJEX-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000990004619 665837610 /nfs/dbraw/zinc/83/76/10/665837610.db2.gz GPSDLMHBDZGJEX-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000969123547 663139322 /nfs/dbraw/zinc/13/93/22/663139322.db2.gz LPWZASBAUSKRLF-NQNKBUKLSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990765014 665931794 /nfs/dbraw/zinc/93/17/94/665931794.db2.gz ROFVUYQTEYLCAM-LHHMISFZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990765014 665931795 /nfs/dbraw/zinc/93/17/95/665931795.db2.gz ROFVUYQTEYLCAM-LHHMISFZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765014 665931796 /nfs/dbraw/zinc/93/17/96/665931796.db2.gz ROFVUYQTEYLCAM-LHHMISFZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765014 665931798 /nfs/dbraw/zinc/93/17/98/665931798.db2.gz ROFVUYQTEYLCAM-LHHMISFZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC001022020696 663388283 /nfs/dbraw/zinc/38/82/83/663388283.db2.gz SBZFOTLHECHCGX-USXIJHARSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000971566819 663397948 /nfs/dbraw/zinc/39/79/48/663397948.db2.gz JOKZTCANFZANFK-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC000971566819 663397951 /nfs/dbraw/zinc/39/79/51/663397951.db2.gz JOKZTCANFZANFK-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC000971566819 663397954 /nfs/dbraw/zinc/39/79/54/663397954.db2.gz JOKZTCANFZANFK-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000971564198 663398146 /nfs/dbraw/zinc/39/81/46/663398146.db2.gz UZFYFNOQVDGSCF-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC000971564198 663398148 /nfs/dbraw/zinc/39/81/48/663398148.db2.gz UZFYFNOQVDGSCF-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC000971564198 663398149 /nfs/dbraw/zinc/39/81/49/663398149.db2.gz UZFYFNOQVDGSCF-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001022105141 663404855 /nfs/dbraw/zinc/40/48/55/663404855.db2.gz RCBFLSFMBLOLKO-DMRZNYOFSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022109688 663405822 /nfs/dbraw/zinc/40/58/22/663405822.db2.gz QQPMAYWYARUGGU-UHDSXZAQSA-N 2 1 371.547 0.778 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022109689 663405848 /nfs/dbraw/zinc/40/58/48/663405848.db2.gz QQPMAYWYARUGGU-ZOFXXKQRSA-N 2 1 371.547 0.778 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000891594039 663417462 /nfs/dbraw/zinc/41/74/62/663417462.db2.gz LGHZHIIBQQNDCG-IRXDYDNUSA-N 2 1 352.523 0.630 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891633350 663420585 /nfs/dbraw/zinc/42/05/85/663420585.db2.gz YLBSVVVCQCGBCN-ZNMIVQPWSA-N 2 1 353.467 0.295 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1CCN(C)CC1 ZINC000891752059 663433602 /nfs/dbraw/zinc/43/36/02/663433602.db2.gz DZEVSQGZICNKGP-JENIJYKNSA-N 2 1 351.539 0.852 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)N1CC[NH+](C)CC1 ZINC000891752059 663433604 /nfs/dbraw/zinc/43/36/04/663433604.db2.gz DZEVSQGZICNKGP-JENIJYKNSA-N 2 1 351.539 0.852 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)N1CC[NH+](C)CC1 ZINC000891752059 663433605 /nfs/dbraw/zinc/43/36/05/663433605.db2.gz DZEVSQGZICNKGP-JENIJYKNSA-N 2 1 351.539 0.852 20 0 FCADMP C(C[NH+]1CCC[C@@H]1C1OCCO1)OCC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902006 663447700 /nfs/dbraw/zinc/44/77/00/663447700.db2.gz YMEQBDNJCBKRDK-HZPDHXFCSA-N 2 1 356.463 0.678 20 0 FCADMP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892135152 663480695 /nfs/dbraw/zinc/48/06/95/663480695.db2.gz MYXXKTYNNFIYNF-DLBZAZTESA-N 2 1 355.527 0.600 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000892250844 663500030 /nfs/dbraw/zinc/50/00/30/663500030.db2.gz OHMACSFBWGWQBL-MRXNPFEDSA-N 2 1 353.511 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025795049 664192215 /nfs/dbraw/zinc/19/22/15/664192215.db2.gz LWFZMJJYRYDPMW-OVYBAWALSA-N 2 1 369.531 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025795049 664192217 /nfs/dbraw/zinc/19/22/17/664192217.db2.gz LWFZMJJYRYDPMW-OVYBAWALSA-N 2 1 369.531 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025795049 664192219 /nfs/dbraw/zinc/19/22/19/664192219.db2.gz LWFZMJJYRYDPMW-OVYBAWALSA-N 2 1 369.531 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025795049 664192220 /nfs/dbraw/zinc/19/22/20/664192220.db2.gz LWFZMJJYRYDPMW-OVYBAWALSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC[C@@H]4CCOC4)C[C@H]32)O1 ZINC001025818490 664195303 /nfs/dbraw/zinc/19/53/03/664195303.db2.gz WOZYCYXKAOBKNR-OBRKIGFESA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCC[C@@H]4CCOC4)C[C@H]32)O1 ZINC001025818490 664195305 /nfs/dbraw/zinc/19/53/05/664195305.db2.gz WOZYCYXKAOBKNR-OBRKIGFESA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCC[C@@H]4CCOC4)C[C@H]32)O1 ZINC001025818490 664195308 /nfs/dbraw/zinc/19/53/08/664195308.db2.gz WOZYCYXKAOBKNR-OBRKIGFESA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@H]32)O1 ZINC001025818490 664195310 /nfs/dbraw/zinc/19/53/10/664195310.db2.gz WOZYCYXKAOBKNR-OBRKIGFESA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC[C@@H]4CCOC4)C[C@H]32)O1 ZINC001025818490 664195312 /nfs/dbraw/zinc/19/53/12/664195312.db2.gz WOZYCYXKAOBKNR-OBRKIGFESA-N 2 1 351.491 0.569 20 0 FCADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000893100227 664205056 /nfs/dbraw/zinc/20/50/56/664205056.db2.gz CFHQNLXPIZGMKI-OAHLLOKOSA-N 2 1 355.527 0.803 20 0 FCADMP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000194153894 664251413 /nfs/dbraw/zinc/25/14/13/664251413.db2.gz RSFFJZFQQZYGFI-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000194153894 664251416 /nfs/dbraw/zinc/25/14/16/664251416.db2.gz RSFFJZFQQZYGFI-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001026851600 664270991 /nfs/dbraw/zinc/27/09/91/664270991.db2.gz DWDNBBWZPGDFSZ-MGPQQGTHSA-N 2 1 366.535 0.882 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001026851600 664270994 /nfs/dbraw/zinc/27/09/94/664270994.db2.gz DWDNBBWZPGDFSZ-MGPQQGTHSA-N 2 1 366.535 0.882 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978322268 664434796 /nfs/dbraw/zinc/43/47/96/664434796.db2.gz RCGCGBGJYUCXEZ-OFGYBXGMSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978322268 664434798 /nfs/dbraw/zinc/43/47/98/664434798.db2.gz RCGCGBGJYUCXEZ-OFGYBXGMSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978322268 664434802 /nfs/dbraw/zinc/43/48/02/664434802.db2.gz RCGCGBGJYUCXEZ-OFGYBXGMSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978322268 664434805 /nfs/dbraw/zinc/43/48/05/664434805.db2.gz RCGCGBGJYUCXEZ-OFGYBXGMSA-N 2 1 364.515 0.965 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000978668814 664441904 /nfs/dbraw/zinc/44/19/04/664441904.db2.gz RBRDUVFBWKDMML-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000978668814 664441907 /nfs/dbraw/zinc/44/19/07/664441907.db2.gz RBRDUVFBWKDMML-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000978668814 664441908 /nfs/dbraw/zinc/44/19/08/664441908.db2.gz RBRDUVFBWKDMML-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000979582824 664460720 /nfs/dbraw/zinc/46/07/20/664460720.db2.gz RBRDUVFBWKDMML-VIQHNZTISA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000979582824 664460721 /nfs/dbraw/zinc/46/07/21/664460721.db2.gz RBRDUVFBWKDMML-VIQHNZTISA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000979582824 664460723 /nfs/dbraw/zinc/46/07/23/664460723.db2.gz RBRDUVFBWKDMML-VIQHNZTISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000979877501 664465255 /nfs/dbraw/zinc/46/52/55/664465255.db2.gz ZABMUQVAOYKUMY-MUIFIZLQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184341 664815645 /nfs/dbraw/zinc/81/56/45/664815645.db2.gz GOAQVMRMWDLMJI-JQHSSLGASA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000981200700 664817563 /nfs/dbraw/zinc/81/75/63/664817563.db2.gz ZUIIGLGNTJDSHP-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000981200700 664817564 /nfs/dbraw/zinc/81/75/64/664817564.db2.gz ZUIIGLGNTJDSHP-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000981200700 664817565 /nfs/dbraw/zinc/81/75/65/664817565.db2.gz ZUIIGLGNTJDSHP-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000981200700 664817566 /nfs/dbraw/zinc/81/75/66/664817566.db2.gz ZUIIGLGNTJDSHP-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C[C@]2(C)C1 ZINC000893739851 664873017 /nfs/dbraw/zinc/87/30/17/664873017.db2.gz AUELXQJDRATZJX-XZKMEQPCSA-N 2 1 350.507 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001028551888 664902067 /nfs/dbraw/zinc/90/20/67/664902067.db2.gz AVAUJHGBKYSMMW-HRCADAONSA-N 2 1 351.495 0.180 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001028551888 664902069 /nfs/dbraw/zinc/90/20/69/664902069.db2.gz AVAUJHGBKYSMMW-HRCADAONSA-N 2 1 351.495 0.180 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001028551888 664902070 /nfs/dbraw/zinc/90/20/70/664902070.db2.gz AVAUJHGBKYSMMW-HRCADAONSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC000984014403 665013071 /nfs/dbraw/zinc/01/30/71/665013071.db2.gz KGYQUBYGPWPSCS-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC000984014403 665013073 /nfs/dbraw/zinc/01/30/73/665013073.db2.gz KGYQUBYGPWPSCS-BQGCOEIASA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCCOC2)O1 ZINC001029356771 665018862 /nfs/dbraw/zinc/01/88/62/665018862.db2.gz VSHXCFYZCBNXLV-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCCOC2)O1 ZINC001029356771 665018864 /nfs/dbraw/zinc/01/88/64/665018864.db2.gz VSHXCFYZCBNXLV-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCOC2)O1 ZINC001029356771 665018866 /nfs/dbraw/zinc/01/88/66/665018866.db2.gz VSHXCFYZCBNXLV-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCOC2)O1 ZINC001029356771 665018867 /nfs/dbraw/zinc/01/88/67/665018867.db2.gz VSHXCFYZCBNXLV-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CCOC2)O1 ZINC001029357705 665019056 /nfs/dbraw/zinc/01/90/56/665019056.db2.gz QSFGVHRTIYJQNX-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@H]2CCOC2)O1 ZINC001029357705 665019058 /nfs/dbraw/zinc/01/90/58/665019058.db2.gz QSFGVHRTIYJQNX-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC[C@H]2CCOC2)O1 ZINC001029357705 665019059 /nfs/dbraw/zinc/01/90/59/665019059.db2.gz QSFGVHRTIYJQNX-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H]2CCOC2)O1 ZINC001029357705 665019061 /nfs/dbraw/zinc/01/90/61/665019061.db2.gz QSFGVHRTIYJQNX-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CCOC2)O1 ZINC001029357705 665019063 /nfs/dbraw/zinc/01/90/63/665019063.db2.gz QSFGVHRTIYJQNX-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000895730542 665057897 /nfs/dbraw/zinc/05/78/97/665057897.db2.gz BBWUDMMSNWCNCV-MRXNPFEDSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000895730542 665057899 /nfs/dbraw/zinc/05/78/99/665057899.db2.gz BBWUDMMSNWCNCV-MRXNPFEDSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)C1 ZINC000896389618 665083151 /nfs/dbraw/zinc/08/31/51/665083151.db2.gz GPDRMYKEKHVFSN-SFHVURJKSA-N 2 1 350.507 0.336 20 0 FCADMP CC[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000896730516 665104735 /nfs/dbraw/zinc/10/47/35/665104735.db2.gz RGNGEHUUFOPDEL-YJBOKZPZSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897293336 665165518 /nfs/dbraw/zinc/16/55/18/665165518.db2.gz JJALPJVLURXPOE-KKUMJFAQSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CSCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897293336 665165520 /nfs/dbraw/zinc/16/55/20/665165520.db2.gz JJALPJVLURXPOE-KKUMJFAQSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CSCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897293336 665165522 /nfs/dbraw/zinc/16/55/22/665165522.db2.gz JJALPJVLURXPOE-KKUMJFAQSA-N 2 1 354.520 0.235 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986690007 665225631 /nfs/dbraw/zinc/22/56/31/665225631.db2.gz RNBXMNBXPWNYQK-LTIDMASMSA-N 2 1 350.507 0.728 20 0 FCADMP Cc1cc(N2CCC(NS(=O)(=O)CC3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000905344660 666017353 /nfs/dbraw/zinc/01/73/53/666017353.db2.gz XEFFRRZMXOQXSW-UHFFFAOYSA-N 2 1 367.519 0.981 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905361153 666019030 /nfs/dbraw/zinc/01/90/30/666019030.db2.gz CHAXQCFGSLXKDC-KRWDZBQOSA-N 2 1 353.488 0.971 20 0 FCADMP CN(C(=O)C1CN(C)CC[NH+](C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906653490 666060991 /nfs/dbraw/zinc/06/09/91/666060991.db2.gz DSSJCAVTIQQUNI-SFHVURJKSA-N 2 1 351.539 0.107 20 0 FCADMP CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000906653490 666060992 /nfs/dbraw/zinc/06/09/92/666060992.db2.gz DSSJCAVTIQQUNI-SFHVURJKSA-N 2 1 351.539 0.107 20 0 FCADMP CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000906653490 666060993 /nfs/dbraw/zinc/06/09/93/666060993.db2.gz DSSJCAVTIQQUNI-SFHVURJKSA-N 2 1 351.539 0.107 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000907599986 666146430 /nfs/dbraw/zinc/14/64/30/666146430.db2.gz OTBIRQYZLWMZJL-UHFFFAOYSA-N 2 1 354.539 0.708 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000910891158 666289083 /nfs/dbraw/zinc/28/90/83/666289083.db2.gz CTNZUJTZEQWHIC-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000910891158 666289087 /nfs/dbraw/zinc/28/90/87/666289087.db2.gz CTNZUJTZEQWHIC-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000910891158 666289090 /nfs/dbraw/zinc/28/90/90/666289090.db2.gz CTNZUJTZEQWHIC-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000910891158 666289093 /nfs/dbraw/zinc/28/90/93/666289093.db2.gz CTNZUJTZEQWHIC-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1)CC1CC1 ZINC000911503912 666361757 /nfs/dbraw/zinc/36/17/57/666361757.db2.gz DKJQASRSSUOAPH-UHFFFAOYSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911564296 666367000 /nfs/dbraw/zinc/36/70/00/666367000.db2.gz SJFQCPUHDBNZSE-XHSDSOJGSA-N 2 1 354.495 0.250 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159046 666382217 /nfs/dbraw/zinc/38/22/17/666382217.db2.gz BSOZNUZSWWKCOP-OAHLLOKOSA-N 2 1 355.552 0.522 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000913330692 666521942 /nfs/dbraw/zinc/52/19/42/666521942.db2.gz IBOWIYDSFQIBQV-IBGZPJMESA-N 2 1 353.507 0.937 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939884974 666530772 /nfs/dbraw/zinc/53/07/72/666530772.db2.gz XQGAAXXUQLAKKK-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000940761593 666560581 /nfs/dbraw/zinc/56/05/81/666560581.db2.gz QGLKALNCIPVNIJ-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC000941216028 666593656 /nfs/dbraw/zinc/59/36/56/666593656.db2.gz CLSPFKWMJVYLID-BRWVUGGUSA-N 2 1 352.523 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000992390542 666635675 /nfs/dbraw/zinc/63/56/75/666635675.db2.gz FHFNOOOXUVEUKC-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000992400128 666636092 /nfs/dbraw/zinc/63/60/92/666636092.db2.gz MDROBPSCBFFSRD-JKSUJKDBSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)CC[N@H+]1C ZINC000992402443 666636392 /nfs/dbraw/zinc/63/63/92/666636392.db2.gz XUTPBCBVDUMHMA-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC[NH+]1C ZINC000992402443 666636394 /nfs/dbraw/zinc/63/63/94/666636394.db2.gz XUTPBCBVDUMHMA-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC[NH+]1C ZINC000992402443 666636398 /nfs/dbraw/zinc/63/63/98/666636398.db2.gz XUTPBCBVDUMHMA-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC000961370876 674759371 /nfs/dbraw/zinc/75/93/71/674759371.db2.gz FJRDCLRUPVXLRM-DJIMGWMZSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC000961370876 674759375 /nfs/dbraw/zinc/75/93/75/674759375.db2.gz FJRDCLRUPVXLRM-DJIMGWMZSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC000961370876 674759378 /nfs/dbraw/zinc/75/93/78/674759378.db2.gz FJRDCLRUPVXLRM-DJIMGWMZSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC000961370880 674759491 /nfs/dbraw/zinc/75/94/91/674759491.db2.gz FJRDCLRUPVXLRM-HYVNUMGLSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC000961370880 674759492 /nfs/dbraw/zinc/75/94/92/674759492.db2.gz FJRDCLRUPVXLRM-HYVNUMGLSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC000961370880 674759493 /nfs/dbraw/zinc/75/94/93/674759493.db2.gz FJRDCLRUPVXLRM-HYVNUMGLSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000942249573 666719166 /nfs/dbraw/zinc/71/91/66/666719166.db2.gz YVGNGYDFWSUVHY-DMRKSPOLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000942249573 666719169 /nfs/dbraw/zinc/71/91/69/666719169.db2.gz YVGNGYDFWSUVHY-DMRKSPOLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000942249573 666719172 /nfs/dbraw/zinc/71/91/72/666719172.db2.gz YVGNGYDFWSUVHY-DMRKSPOLSA-N 2 1 350.507 0.774 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287386 666905416 /nfs/dbraw/zinc/90/54/16/666905416.db2.gz ZOCKHBWULAXGIC-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000734274696 666958485 /nfs/dbraw/zinc/95/84/85/666958485.db2.gz LIYDVCQENMZMIR-NVXWUHKLSA-N 2 1 354.495 0.602 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276472 666959131 /nfs/dbraw/zinc/95/91/31/666959131.db2.gz CYENDMCNCZNBEW-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000734666585 666978052 /nfs/dbraw/zinc/97/80/52/666978052.db2.gz DYZLPFAYODHPGF-QGZVFWFLSA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000734666585 666978053 /nfs/dbraw/zinc/97/80/53/666978053.db2.gz DYZLPFAYODHPGF-QGZVFWFLSA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000734666585 666978054 /nfs/dbraw/zinc/97/80/54/666978054.db2.gz DYZLPFAYODHPGF-QGZVFWFLSA-N 2 1 355.527 0.422 20 0 FCADMP C[S@](=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000735096222 667005428 /nfs/dbraw/zinc/00/54/28/667005428.db2.gz RIDNXQZYSWROOJ-DEOSSOPVSA-N 2 1 353.492 0.271 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000919304387 667166610 /nfs/dbraw/zinc/16/66/10/667166610.db2.gz IIVANTAGGPQICN-UHFFFAOYSA-N 2 1 368.503 0.143 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000997793510 667176095 /nfs/dbraw/zinc/17/60/95/667176095.db2.gz QCYIZHBYHRXGIM-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000998936184 667223938 /nfs/dbraw/zinc/22/39/38/667223938.db2.gz GOQOXPKMCRBXDY-RHSMWYFYSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000999188784 667230205 /nfs/dbraw/zinc/23/02/05/667230205.db2.gz CNYMLRIZSBFEJT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000999196509 667230821 /nfs/dbraw/zinc/23/08/21/667230821.db2.gz SCSZVNGQNRYQIM-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994532 667259616 /nfs/dbraw/zinc/25/96/16/667259616.db2.gz YNLLKQFGGZCFHU-VNQPRFMTSA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994532 667259619 /nfs/dbraw/zinc/25/96/19/667259619.db2.gz YNLLKQFGGZCFHU-VNQPRFMTSA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994532 667259621 /nfs/dbraw/zinc/25/96/21/667259621.db2.gz YNLLKQFGGZCFHU-VNQPRFMTSA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994532 667259623 /nfs/dbraw/zinc/25/96/23/667259623.db2.gz YNLLKQFGGZCFHU-VNQPRFMTSA-N 2 1 350.467 0.269 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247361 667526807 /nfs/dbraw/zinc/52/68/07/667526807.db2.gz KBKWREYBVHMZOE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002247361 667526810 /nfs/dbraw/zinc/52/68/10/667526810.db2.gz KBKWREYBVHMZOE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002247361 667526813 /nfs/dbraw/zinc/52/68/13/667526813.db2.gz KBKWREYBVHMZOE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002850926 667570793 /nfs/dbraw/zinc/57/07/93/667570793.db2.gz DEULPPVGRPCTMY-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002850926 667570799 /nfs/dbraw/zinc/57/07/99/667570799.db2.gz DEULPPVGRPCTMY-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001002861204 667571436 /nfs/dbraw/zinc/57/14/36/667571436.db2.gz VZNPPZRNMXGSDF-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001002859210 667571797 /nfs/dbraw/zinc/57/17/97/667571797.db2.gz KPTVLHWIYHECSD-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCN(CC)C3=O)CC2)CC[N@H+]1C ZINC001002858317 667571813 /nfs/dbraw/zinc/57/18/13/667571813.db2.gz BOQARCYAMRSJBU-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC)C[C@H]3CC2)CC[N@H+]1C ZINC000946597617 667677330 /nfs/dbraw/zinc/67/73/30/667677330.db2.gz BEQDKOGPHXTHIA-VVLHAWIVSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]3CC2)CC[NH+]1C ZINC000946597617 667677334 /nfs/dbraw/zinc/67/73/34/667677334.db2.gz BEQDKOGPHXTHIA-VVLHAWIVSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]3CC2)CC[NH+]1C ZINC000946597617 667677336 /nfs/dbraw/zinc/67/73/36/667677336.db2.gz BEQDKOGPHXTHIA-VVLHAWIVSA-N 2 1 350.507 0.633 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407762 667740219 /nfs/dbraw/zinc/74/02/19/667740219.db2.gz SVOKJHAIJARPLY-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422829 667779647 /nfs/dbraw/zinc/77/96/47/667779647.db2.gz MRYVZTLWDUOSIG-HYVNUMGLSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422829 667779650 /nfs/dbraw/zinc/77/96/50/667779650.db2.gz MRYVZTLWDUOSIG-HYVNUMGLSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422829 667779653 /nfs/dbraw/zinc/77/96/53/667779653.db2.gz MRYVZTLWDUOSIG-HYVNUMGLSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CCO2)O1 ZINC001035422829 667779655 /nfs/dbraw/zinc/77/96/55/667779655.db2.gz MRYVZTLWDUOSIG-HYVNUMGLSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)CC[N@@H+]1C ZINC001035710850 667790106 /nfs/dbraw/zinc/79/01/06/667790106.db2.gz VKLZROQQAULDEB-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)CC[N@H+]1C ZINC001035710850 667790110 /nfs/dbraw/zinc/79/01/10/667790110.db2.gz VKLZROQQAULDEB-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000923287687 667822343 /nfs/dbraw/zinc/82/23/43/667822343.db2.gz VTFDWQICQXWVOL-QGZVFWFLSA-N 2 1 350.463 0.222 20 0 FCADMP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923322601 667825237 /nfs/dbraw/zinc/82/52/37/667825237.db2.gz YBTCAXQTWVKVIO-DLBZAZTESA-N 2 1 350.507 0.384 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923323679 667825336 /nfs/dbraw/zinc/82/53/36/667825336.db2.gz JXPYONANDQJOLT-RDJZCZTQSA-N 2 1 350.507 0.430 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923449976 667837290 /nfs/dbraw/zinc/83/72/90/667837290.db2.gz RUPMUZBERZUMDO-CQSZACIVSA-N 2 1 357.476 0.860 20 0 FCADMP COc1cccc([C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000923578584 667850354 /nfs/dbraw/zinc/85/03/54/667850354.db2.gz FEAGWEBXEVLHJV-QGZVFWFLSA-N 2 1 368.503 0.572 20 0 FCADMP COc1ccc([C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000923579825 667851301 /nfs/dbraw/zinc/85/13/01/667851301.db2.gz YPQWVVMYVDXNMC-KRWDZBQOSA-N 2 1 368.503 0.572 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C3OCCO3)C1)C2=O ZINC000738151101 667905559 /nfs/dbraw/zinc/90/55/59/667905559.db2.gz ZUOWBLACTNQSLZ-CYBMUJFWSA-N 2 1 352.435 0.045 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C3OCCO3)C1)C2=O ZINC000738151101 667905561 /nfs/dbraw/zinc/90/55/61/667905561.db2.gz ZUOWBLACTNQSLZ-CYBMUJFWSA-N 2 1 352.435 0.045 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)COCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783917501 668636831 /nfs/dbraw/zinc/63/68/31/668636831.db2.gz ALPSZBDCNPPXDL-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)COCC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783917501 668636833 /nfs/dbraw/zinc/63/68/33/668636833.db2.gz ALPSZBDCNPPXDL-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)COCC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783917501 668636838 /nfs/dbraw/zinc/63/68/38/668636838.db2.gz ALPSZBDCNPPXDL-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363438 668875356 /nfs/dbraw/zinc/87/53/56/668875356.db2.gz SYQVKHDYLVMMAZ-KSSFIOAISA-N 2 1 351.447 0.945 20 0 FCADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363438 668875358 /nfs/dbraw/zinc/87/53/58/668875358.db2.gz SYQVKHDYLVMMAZ-KSSFIOAISA-N 2 1 351.447 0.945 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000793694844 668941185 /nfs/dbraw/zinc/94/11/85/668941185.db2.gz BUHWFWAUYLEEML-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000793742188 668947180 /nfs/dbraw/zinc/94/71/80/668947180.db2.gz PKVRTGHJFNLXCX-DZGCQCFKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000793742188 668947183 /nfs/dbraw/zinc/94/71/83/668947183.db2.gz PKVRTGHJFNLXCX-DZGCQCFKSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000793742191 668947211 /nfs/dbraw/zinc/94/72/11/668947211.db2.gz PKVRTGHJFNLXCX-ZFWWWQNUSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000793742191 668947214 /nfs/dbraw/zinc/94/72/14/668947214.db2.gz PKVRTGHJFNLXCX-ZFWWWQNUSA-N 2 1 354.495 0.201 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000809968031 669654284 /nfs/dbraw/zinc/65/42/84/669654284.db2.gz KQDPPRWGHMLWEZ-SFHVURJKSA-N 2 1 358.527 0.831 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H]2CCOC2)C3)O1 ZINC000964032616 675036629 /nfs/dbraw/zinc/03/66/29/675036629.db2.gz XUEIMJJPAAERDR-FPWVBALCSA-N 2 1 351.491 0.759 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H]2CCOC2)C3)O1 ZINC000964032616 675036632 /nfs/dbraw/zinc/03/66/32/675036632.db2.gz XUEIMJJPAAERDR-FPWVBALCSA-N 2 1 351.491 0.759 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCNC1=O ZINC000829779962 669726137 /nfs/dbraw/zinc/72/61/37/669726137.db2.gz UYMUAMKXZAJXFW-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000834771135 669973964 /nfs/dbraw/zinc/97/39/64/669973964.db2.gz PAMHACFNQNNTTM-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000834771135 669973965 /nfs/dbraw/zinc/97/39/65/669973965.db2.gz PAMHACFNQNNTTM-GASCZTMLSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2Cl)CC1 ZINC000841156632 670537786 /nfs/dbraw/zinc/53/77/86/670537786.db2.gz QKSOZCKEVDBOHI-CYBMUJFWSA-N 2 1 365.865 0.508 20 0 FCADMP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000843071692 670773278 /nfs/dbraw/zinc/77/32/78/670773278.db2.gz BWLMFBLLYBWSHH-WMZOPIPTSA-N 2 1 370.515 0.950 20 0 FCADMP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](C[NH3+])C1CC1 ZINC000843386620 670810865 /nfs/dbraw/zinc/81/08/65/670810865.db2.gz KJBIJPWYCQGALR-CYBMUJFWSA-N 2 1 351.451 0.332 20 0 FCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](C[NH3+])C1CC1 ZINC000843386620 670810874 /nfs/dbraw/zinc/81/08/74/670810874.db2.gz KJBIJPWYCQGALR-CYBMUJFWSA-N 2 1 351.451 0.332 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706825 671139189 /nfs/dbraw/zinc/13/91/89/671139189.db2.gz QMRIPATVDOPFFQ-CHWSQXEVSA-N 2 1 351.451 0.474 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968011456 675178292 /nfs/dbraw/zinc/17/82/92/675178292.db2.gz CDMCAZHJAHWWRV-XYPHTWIQSA-N 2 1 350.507 0.726 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968016047 675178456 /nfs/dbraw/zinc/17/84/56/675178456.db2.gz UUDMDZZLNMUNOC-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000848992616 671315689 /nfs/dbraw/zinc/31/56/89/671315689.db2.gz NCBQSMVATZBSOY-JKSUJKDBSA-N 2 1 354.495 0.390 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103093 671317900 /nfs/dbraw/zinc/31/79/00/671317900.db2.gz GYXABMRVQKUPKK-INIZCTEOSA-N 3 1 352.527 0.577 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891067 675906423 /nfs/dbraw/zinc/90/64/23/675906423.db2.gz KGOBQBAQNHEOOE-NRSFXHEJSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891067 675906424 /nfs/dbraw/zinc/90/64/24/675906424.db2.gz KGOBQBAQNHEOOE-NRSFXHEJSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891067 675906426 /nfs/dbraw/zinc/90/64/26/675906426.db2.gz KGOBQBAQNHEOOE-NRSFXHEJSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891067 675906427 /nfs/dbraw/zinc/90/64/27/675906427.db2.gz KGOBQBAQNHEOOE-NRSFXHEJSA-N 2 1 351.491 0.522 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852063885 671484838 /nfs/dbraw/zinc/48/48/38/671484838.db2.gz SZBWARRHIFKCGG-IXDOHACOSA-N 2 1 352.479 0.402 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000852752887 671523687 /nfs/dbraw/zinc/52/36/87/671523687.db2.gz POXILFLGWSXJFH-VKJFTORMSA-N 2 1 352.479 0.736 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000857334471 671725251 /nfs/dbraw/zinc/72/52/51/671725251.db2.gz AWKJQDXMNRDRPZ-QZTJIDSGSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511476 675935870 /nfs/dbraw/zinc/93/58/70/675935870.db2.gz VFFOVGIQILTARJ-BGTYHANMSA-N 2 1 350.507 0.571 20 0 FCADMP COC1CCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903562240 675945060 /nfs/dbraw/zinc/94/50/60/675945060.db2.gz IUPHGABHWWQQNL-IYBDPMFKSA-N 2 1 372.535 0.243 20 0 FCADMP COC1CCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903562240 675945062 /nfs/dbraw/zinc/94/50/62/675945062.db2.gz IUPHGABHWWQQNL-IYBDPMFKSA-N 2 1 372.535 0.243 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903732335 675965097 /nfs/dbraw/zinc/96/50/97/675965097.db2.gz DLSYWKNSERRHIR-QGZVFWFLSA-N 2 1 350.507 0.385 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758441 675968955 /nfs/dbraw/zinc/96/89/55/675968955.db2.gz JYTYXKUZYNPKNG-HZPDHXFCSA-N 2 1 359.536 0.749 20 0 FCADMP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753735 675967732 /nfs/dbraw/zinc/96/77/32/675967732.db2.gz XTVXBLHJMPIMLY-IAGOWNOFSA-N 2 1 352.523 0.677 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(CCC[NH+]3CCOCC3)nn2)C1 ZINC000864627037 672202339 /nfs/dbraw/zinc/20/23/39/672202339.db2.gz YMAYBVRXMQJRER-GOSISDBHSA-N 2 1 351.495 0.900 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CCC[NH+]3CCOCC3)nn2)C1 ZINC000864627037 672202343 /nfs/dbraw/zinc/20/23/43/672202343.db2.gz YMAYBVRXMQJRER-GOSISDBHSA-N 2 1 351.495 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)CC[N@@H+]1C ZINC001053260594 675992749 /nfs/dbraw/zinc/99/27/49/675992749.db2.gz GXAXAJOMIZFODD-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)CC[N@H+]1C ZINC001053260594 675992751 /nfs/dbraw/zinc/99/27/51/675992751.db2.gz GXAXAJOMIZFODD-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP CCN1CC[NH+](CCCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865412242 672242096 /nfs/dbraw/zinc/24/20/96/672242096.db2.gz LIQYGRGMTCRJEQ-GOSISDBHSA-N 2 1 350.511 0.964 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)C2C[NH2+]C2)c1 ZINC000923604142 672348786 /nfs/dbraw/zinc/34/87/86/672348786.db2.gz SUFMLPBVDLFRKS-UHFFFAOYSA-N 2 1 357.476 0.035 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357496 676017576 /nfs/dbraw/zinc/01/75/76/676017576.db2.gz PFARZNPQUNOJQK-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357496 676017577 /nfs/dbraw/zinc/01/75/77/676017577.db2.gz PFARZNPQUNOJQK-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357496 676017580 /nfs/dbraw/zinc/01/75/80/676017580.db2.gz PFARZNPQUNOJQK-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583654 676025370 /nfs/dbraw/zinc/02/53/70/676025370.db2.gz WRKBCKVRRTXVDA-ABFRBSLYSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC[N@H+]1C ZINC001056717087 676048817 /nfs/dbraw/zinc/04/88/17/676048817.db2.gz VAHZITOZVORKOC-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(C)n1 ZINC000879898909 673149613 /nfs/dbraw/zinc/14/96/13/673149613.db2.gz MLNWZYOGVFNMQB-AWEZNQCLSA-N 2 1 350.467 0.660 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)sn1 ZINC001051680297 676108434 /nfs/dbraw/zinc/10/84/34/676108434.db2.gz LTMVUHQVZLMWCQ-IIAWOOMASA-N 2 1 368.503 0.488 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)sn1 ZINC001051680297 676108436 /nfs/dbraw/zinc/10/84/36/676108436.db2.gz LTMVUHQVZLMWCQ-IIAWOOMASA-N 2 1 368.503 0.488 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000882635343 673329722 /nfs/dbraw/zinc/32/97/22/673329722.db2.gz FZWKIGQKZSKZLI-OKZBNKHCSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000882635343 673329729 /nfs/dbraw/zinc/32/97/29/673329729.db2.gz FZWKIGQKZSKZLI-OKZBNKHCSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000882635343 673329732 /nfs/dbraw/zinc/32/97/32/673329732.db2.gz FZWKIGQKZSKZLI-OKZBNKHCSA-N 2 1 352.523 0.630 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883436600 673375590 /nfs/dbraw/zinc/37/55/90/673375590.db2.gz XCMQAIWEUPHEGV-SJORKVTESA-N 2 1 354.495 0.650 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000883475073 673378530 /nfs/dbraw/zinc/37/85/30/673378530.db2.gz MAZLNNIBHLSPDB-QGZVFWFLSA-N 2 1 368.503 0.570 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000883689673 673390996 /nfs/dbraw/zinc/39/09/96/673390996.db2.gz RERGBOUEYSJSNZ-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000889333129 673403400 /nfs/dbraw/zinc/40/34/00/673403400.db2.gz UFDJODFRFIBZFZ-HRCADAONSA-N 2 1 353.511 0.663 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000889333129 673403402 /nfs/dbraw/zinc/40/34/02/673403402.db2.gz UFDJODFRFIBZFZ-HRCADAONSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884493795 673457229 /nfs/dbraw/zinc/45/72/29/673457229.db2.gz CJOBGTIGOYNNHC-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000884513594 673459135 /nfs/dbraw/zinc/45/91/35/673459135.db2.gz MLZJPRJQVNFXRY-LBPRGKRZSA-N 2 1 352.401 0.587 20 0 FCADMP CCN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000884513594 673459137 /nfs/dbraw/zinc/45/91/37/673459137.db2.gz MLZJPRJQVNFXRY-LBPRGKRZSA-N 2 1 352.401 0.587 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571366 673462833 /nfs/dbraw/zinc/46/28/33/673462833.db2.gz NKECMSVBSWMDBJ-IYOUNJFTSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571366 673462836 /nfs/dbraw/zinc/46/28/36/673462836.db2.gz NKECMSVBSWMDBJ-IYOUNJFTSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000884571367 673462930 /nfs/dbraw/zinc/46/29/30/673462930.db2.gz NKECMSVBSWMDBJ-PMUMKWKESA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000884571367 673462931 /nfs/dbraw/zinc/46/29/31/673462931.db2.gz NKECMSVBSWMDBJ-PMUMKWKESA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884576175 673463250 /nfs/dbraw/zinc/46/32/50/673463250.db2.gz BKBHGEZIMFDPQI-LPHOPBHVSA-N 2 1 350.507 0.827 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884601296 673465118 /nfs/dbraw/zinc/46/51/18/673465118.db2.gz HEKBXQQNNHOZCE-SRVKXCTJSA-N 2 1 352.401 0.429 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884637690 673468730 /nfs/dbraw/zinc/46/87/30/673468730.db2.gz XPMMEJRUANARHY-GOSISDBHSA-N 2 1 354.495 0.063 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000884640344 673468970 /nfs/dbraw/zinc/46/89/70/673468970.db2.gz BKXSHDBAXQMRRO-DGCLKSJQSA-N 2 1 364.412 0.573 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC[C@H]21 ZINC000884879728 673488165 /nfs/dbraw/zinc/48/81/65/673488165.db2.gz MFEPVVUYRMMMNY-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884836 673488718 /nfs/dbraw/zinc/48/87/18/673488718.db2.gz MCQDQENPABYLDY-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285335 673512377 /nfs/dbraw/zinc/51/23/77/673512377.db2.gz OYIHRMGKHHZRDU-CYBMUJFWSA-N 2 1 360.449 0.680 20 0 FCADMP CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000886430459 673583978 /nfs/dbraw/zinc/58/39/78/673583978.db2.gz NIPSPZBQPPHULL-QAPCUYQASA-N 2 1 357.495 0.795 20 0 FCADMP CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000886430458 673584194 /nfs/dbraw/zinc/58/41/94/673584194.db2.gz NIPSPZBQPPHULL-MAUKXSAKSA-N 2 1 357.495 0.795 20 0 FCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704472 673761327 /nfs/dbraw/zinc/76/13/27/673761327.db2.gz FLVPFQNHFUYGKB-UONOGXRCSA-N 2 1 353.488 0.938 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925276359 673785293 /nfs/dbraw/zinc/78/52/93/673785293.db2.gz ZAFDHIGWWZSXEH-ZIAGYGMSSA-N 2 1 365.503 0.519 20 0 FCADMP C[N@H+]1CCN(CCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1(C)C ZINC000925306322 673786397 /nfs/dbraw/zinc/78/63/97/673786397.db2.gz GMOAFIROAMLBPA-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C[C@H]1[NH3+] ZINC000926320057 673822160 /nfs/dbraw/zinc/82/21/60/673822160.db2.gz JSYHUXABEQVAHF-WCXIOVBPSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000926445608 673831824 /nfs/dbraw/zinc/83/18/24/673831824.db2.gz XXWWGTMXKSIFOL-YVSFHVDLSA-N 2 1 350.507 0.761 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000926445608 673831829 /nfs/dbraw/zinc/83/18/29/673831829.db2.gz XXWWGTMXKSIFOL-YVSFHVDLSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642836 673874909 /nfs/dbraw/zinc/87/49/09/673874909.db2.gz ZAGFULGSCBEKCM-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927642836 673874911 /nfs/dbraw/zinc/87/49/11/673874911.db2.gz ZAGFULGSCBEKCM-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000929646731 673969701 /nfs/dbraw/zinc/96/97/01/673969701.db2.gz TZLNTPPQUHVNTQ-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071857 675268477 /nfs/dbraw/zinc/26/84/77/675268477.db2.gz KBIYBCHNMNRKSN-RBSFLKMASA-N 2 1 368.503 0.128 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071857 675268481 /nfs/dbraw/zinc/26/84/81/675268481.db2.gz KBIYBCHNMNRKSN-RBSFLKMASA-N 2 1 368.503 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001007367290 675288223 /nfs/dbraw/zinc/28/82/23/675288223.db2.gz ACPQMXGQHFGBPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001007367290 675288225 /nfs/dbraw/zinc/28/82/25/675288225.db2.gz ACPQMXGQHFGBPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001007367290 675288229 /nfs/dbraw/zinc/28/82/29/675288229.db2.gz ACPQMXGQHFGBPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001007367290 675288233 /nfs/dbraw/zinc/28/82/33/675288233.db2.gz ACPQMXGQHFGBPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001007367290 675288236 /nfs/dbraw/zinc/28/82/36/675288236.db2.gz ACPQMXGQHFGBPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001007376376 675288469 /nfs/dbraw/zinc/28/84/69/675288469.db2.gz JHLKOWHWEDQLSN-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020174784 675436546 /nfs/dbraw/zinc/43/65/46/675436546.db2.gz QQPMAYWYARUGGU-OVYGPGRDSA-N 2 1 371.547 0.778 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001020174538 675436569 /nfs/dbraw/zinc/43/65/69/675436569.db2.gz FECHBDVGYNMAJT-XDQVBPFNSA-N 2 1 350.467 0.603 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001020174538 675436572 /nfs/dbraw/zinc/43/65/72/675436572.db2.gz FECHBDVGYNMAJT-XDQVBPFNSA-N 2 1 350.467 0.603 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@@H]2CCOC2)O1 ZINC001039677153 675450958 /nfs/dbraw/zinc/45/09/58/675450958.db2.gz ILCVPEMPTPNTLU-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@@H]2CCOC2)O1 ZINC001039677153 675450960 /nfs/dbraw/zinc/45/09/60/675450960.db2.gz ILCVPEMPTPNTLU-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H]2CCOC2)O1 ZINC001039677153 675450964 /nfs/dbraw/zinc/45/09/64/675450964.db2.gz ILCVPEMPTPNTLU-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H]2CCOC2)O1 ZINC001039677153 675450966 /nfs/dbraw/zinc/45/09/66/675450966.db2.gz ILCVPEMPTPNTLU-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@H+]1C ZINC001041302657 675512303 /nfs/dbraw/zinc/51/23/03/675512303.db2.gz XUNABHZUKXFRSW-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001041302657 675512306 /nfs/dbraw/zinc/51/23/06/675512306.db2.gz XUNABHZUKXFRSW-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001041302657 675512309 /nfs/dbraw/zinc/51/23/09/675512309.db2.gz XUNABHZUKXFRSW-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001045443359 675653825 /nfs/dbraw/zinc/65/38/25/675653825.db2.gz MIXMKLJZPHZFII-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)CC[N@H+]1C ZINC001046032276 675681141 /nfs/dbraw/zinc/68/11/41/675681141.db2.gz IDHPGNZGVSPTLG-FGTMMUONSA-N 2 1 352.523 0.318 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)CC[NH+]1C ZINC001046032276 675681143 /nfs/dbraw/zinc/68/11/43/675681143.db2.gz IDHPGNZGVSPTLG-FGTMMUONSA-N 2 1 352.523 0.318 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)CC[NH+]1C ZINC001046032276 675681144 /nfs/dbraw/zinc/68/11/44/675681144.db2.gz IDHPGNZGVSPTLG-FGTMMUONSA-N 2 1 352.523 0.318 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC000901347178 675784412 /nfs/dbraw/zinc/78/44/12/675784412.db2.gz VAEHWKHQFFIGMA-OAHLLOKOSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC000901347178 675784415 /nfs/dbraw/zinc/78/44/15/675784415.db2.gz VAEHWKHQFFIGMA-OAHLLOKOSA-N 2 1 355.479 0.225 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC001048527959 675859754 /nfs/dbraw/zinc/85/97/54/675859754.db2.gz QYPMNFIQWMNGAC-NQNKBUKLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001048527959 675859757 /nfs/dbraw/zinc/85/97/57/675859757.db2.gz QYPMNFIQWMNGAC-NQNKBUKLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001048527959 675859762 /nfs/dbraw/zinc/85/97/62/675859762.db2.gz QYPMNFIQWMNGAC-NQNKBUKLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC(=O)NC2CCOCC2)C1 ZINC000969702956 1168065153 /nfs/dbraw/zinc/06/51/53/1168065153.db2.gz CJBIIQPSQJMDOJ-JJRVBVJISA-N 2 1 366.506 0.058 20 0 FCADMP CN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC(=O)N1CCC1 ZINC001266329116 1168155646 /nfs/dbraw/zinc/15/56/46/1168155646.db2.gz YKQUQODMLYQTLX-MSOLQXFVSA-N 2 1 358.486 0.612 20 0 FCADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001020614207 1168161465 /nfs/dbraw/zinc/16/14/65/1168161465.db2.gz OFOUYQLXAXBXDG-RWQQGDIJSA-N 2 1 368.485 0.897 20 0 FCADMP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001020614207 1168161471 /nfs/dbraw/zinc/16/14/71/1168161471.db2.gz OFOUYQLXAXBXDG-RWQQGDIJSA-N 2 1 368.485 0.897 20 0 FCADMP CCn1nnc(C)c1CN1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958235 1168234812 /nfs/dbraw/zinc/23/48/12/1168234812.db2.gz KBIVVKVPJZNFFY-IIYDPXPESA-N 2 1 364.494 0.262 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969959617 1168236702 /nfs/dbraw/zinc/23/67/02/1168236702.db2.gz UGFHWOVJFFCLGG-JFIYKMOQSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969959617 1168236704 /nfs/dbraw/zinc/23/67/04/1168236704.db2.gz UGFHWOVJFFCLGG-JFIYKMOQSA-N 2 1 363.506 0.656 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969956924 1168237141 /nfs/dbraw/zinc/23/71/41/1168237141.db2.gz ASDAGOPEVUPCAP-CKEIUWERSA-N 2 1 362.474 0.041 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969956924 1168237147 /nfs/dbraw/zinc/23/71/47/1168237147.db2.gz ASDAGOPEVUPCAP-CKEIUWERSA-N 2 1 362.474 0.041 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC000970042705 1168302828 /nfs/dbraw/zinc/30/28/28/1168302828.db2.gz LBFATNJYFOJKMD-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP CC(C)N(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482731225 1192374607 /nfs/dbraw/zinc/37/46/07/1192374607.db2.gz QBQYJBPSUIGRTC-OWCLPIDISA-N 2 1 356.511 0.039 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104294695 1169691887 /nfs/dbraw/zinc/69/18/87/1169691887.db2.gz XZRRNAPTIYTCLF-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266593194 1169794731 /nfs/dbraw/zinc/79/47/31/1169794731.db2.gz AOAZGHLNPGTNIZ-KBUPBQIOSA-N 2 1 367.494 0.045 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001744820232 1169876918 /nfs/dbraw/zinc/87/69/18/1169876918.db2.gz CIOPKTCKUTXXFW-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000891306359 1169884138 /nfs/dbraw/zinc/88/41/38/1169884138.db2.gz CBBZQMWNLWGMKU-HNNXBMFYSA-N 2 1 362.478 0.689 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000891306359 1169884139 /nfs/dbraw/zinc/88/41/39/1169884139.db2.gz CBBZQMWNLWGMKU-HNNXBMFYSA-N 2 1 362.478 0.689 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000971566861 1170536647 /nfs/dbraw/zinc/53/66/47/1170536647.db2.gz KPWQFXZWKOOZPE-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000971566861 1170536655 /nfs/dbraw/zinc/53/66/55/1170536655.db2.gz KPWQFXZWKOOZPE-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC000971566861 1170536666 /nfs/dbraw/zinc/53/66/66/1170536666.db2.gz KPWQFXZWKOOZPE-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC000971566861 1170536680 /nfs/dbraw/zinc/53/66/80/1170536680.db2.gz KPWQFXZWKOOZPE-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617007 1192418839 /nfs/dbraw/zinc/41/88/39/1192418839.db2.gz VBWYOVVOFUEOKA-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617007 1192418842 /nfs/dbraw/zinc/41/88/42/1192418842.db2.gz VBWYOVVOFUEOKA-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617007 1192418845 /nfs/dbraw/zinc/41/88/45/1192418845.db2.gz VBWYOVVOFUEOKA-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221125 1170589052 /nfs/dbraw/zinc/58/90/52/1170589052.db2.gz LPQDQWIGOAXKNY-ZWKOTPCHSA-N 2 1 361.490 0.936 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221125 1170589063 /nfs/dbraw/zinc/58/90/63/1170589063.db2.gz LPQDQWIGOAXKNY-ZWKOTPCHSA-N 2 1 361.490 0.936 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221305 1170594732 /nfs/dbraw/zinc/59/47/32/1170594732.db2.gz VELCGKNFUNXEKF-HYVNUMGLSA-N 2 1 365.478 0.005 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@H+]1C ZINC001022217161 1170765432 /nfs/dbraw/zinc/76/54/32/1170765432.db2.gz GCGSNTBYEWKFOF-WNRNVDISSA-N 2 1 374.529 0.872 20 0 FCADMP CCOc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276449 1170824005 /nfs/dbraw/zinc/82/40/05/1170824005.db2.gz JZDIJLBFMRPOPX-MXASKKJJSA-N 2 1 362.474 0.936 20 0 FCADMP CCOc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276449 1170824007 /nfs/dbraw/zinc/82/40/07/1170824007.db2.gz JZDIJLBFMRPOPX-MXASKKJJSA-N 2 1 362.474 0.936 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083224968 1170841209 /nfs/dbraw/zinc/84/12/09/1170841209.db2.gz ZCMDYRZAYMDAJB-OKZBNKHCSA-N 2 1 367.490 0.047 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083224968 1170841210 /nfs/dbraw/zinc/84/12/10/1170841210.db2.gz ZCMDYRZAYMDAJB-OKZBNKHCSA-N 2 1 367.490 0.047 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@@H+](C)CC1 ZINC000891766107 1170850681 /nfs/dbraw/zinc/85/06/81/1170850681.db2.gz RJJRAAOINCOZIE-HNKHHVNMSA-N 2 1 363.462 0.213 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H](C)C(=O)NC(N)=O ZINC001691180821 1170851460 /nfs/dbraw/zinc/85/14/60/1170851460.db2.gz KZVMXAHCXCBCQS-HZSPNIEDSA-N 2 1 355.483 0.128 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@H](C)C(=O)NC(N)=O ZINC001691180821 1170851463 /nfs/dbraw/zinc/85/14/63/1170851463.db2.gz KZVMXAHCXCBCQS-HZSPNIEDSA-N 2 1 355.483 0.128 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@@H](C)C(=O)NC(N)=O ZINC001691180822 1170851543 /nfs/dbraw/zinc/85/15/43/1170851543.db2.gz KZVMXAHCXCBCQS-MELADBBJSA-N 2 1 355.483 0.128 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@@H](C)C(=O)NC(N)=O ZINC001691180822 1170851544 /nfs/dbraw/zinc/85/15/44/1170851544.db2.gz KZVMXAHCXCBCQS-MELADBBJSA-N 2 1 355.483 0.128 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001691251212 1170890766 /nfs/dbraw/zinc/89/07/66/1170890766.db2.gz PGZBZYWTLYOTMD-ZNMIVQPWSA-N 2 1 366.506 0.644 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@H]2C1 ZINC000891831007 1170893094 /nfs/dbraw/zinc/89/30/94/1170893094.db2.gz YYJZUQJDLUPGBM-SJORKVTESA-N 2 1 358.490 0.679 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691263550 1170984125 /nfs/dbraw/zinc/98/41/25/1170984125.db2.gz WEPNFZWFFAWVBQ-GVDBMIGSSA-N 2 1 367.538 0.910 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001691268500 1171002420 /nfs/dbraw/zinc/00/24/20/1171002420.db2.gz RFADSNLNKXUSJD-ARFHVFGLSA-N 2 1 371.547 0.637 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001691283494 1171032029 /nfs/dbraw/zinc/03/20/29/1171032029.db2.gz CQRWWIPNXBJGIC-DLBZAZTESA-N 2 1 360.462 0.834 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001691283494 1171032038 /nfs/dbraw/zinc/03/20/38/1171032038.db2.gz CQRWWIPNXBJGIC-DLBZAZTESA-N 2 1 360.462 0.834 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909930 1171065843 /nfs/dbraw/zinc/06/58/43/1171065843.db2.gz OMYAAILHMDVNRZ-JJXSEGSLSA-N 2 1 367.494 0.683 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909928 1171066568 /nfs/dbraw/zinc/06/65/68/1171066568.db2.gz OMYAAILHMDVNRZ-FPCVCCKLSA-N 2 1 367.494 0.683 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001691324350 1171097822 /nfs/dbraw/zinc/09/78/22/1171097822.db2.gz BUNFTAHDASRQBD-JKSUJKDBSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970222 1171355948 /nfs/dbraw/zinc/35/59/48/1171355948.db2.gz JEBMJWFCEGNBIZ-AEFFLSMTSA-N 2 1 373.501 0.486 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)C1 ZINC000971959273 1171457478 /nfs/dbraw/zinc/45/74/78/1171457478.db2.gz ATLYHAFXXVQYGN-ARFHVFGLSA-N 2 1 359.474 0.743 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456245 1192481517 /nfs/dbraw/zinc/48/15/17/1192481517.db2.gz MYTQRYUEPXKZDX-SQNIBIBYSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456245 1192481523 /nfs/dbraw/zinc/48/15/23/1192481523.db2.gz MYTQRYUEPXKZDX-SQNIBIBYSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456245 1192481526 /nfs/dbraw/zinc/48/15/26/1192481526.db2.gz MYTQRYUEPXKZDX-SQNIBIBYSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456245 1192481529 /nfs/dbraw/zinc/48/15/29/1192481529.db2.gz MYTQRYUEPXKZDX-SQNIBIBYSA-N 2 1 363.506 0.480 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000972242561 1171880450 /nfs/dbraw/zinc/88/04/50/1171880450.db2.gz KQICGQLYJUQNEL-IIDMSEBBSA-N 2 1 371.485 0.772 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC000972252588 1171886416 /nfs/dbraw/zinc/88/64/16/1171886416.db2.gz HSZCRTMPQSUXDP-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000972255438 1171889148 /nfs/dbraw/zinc/88/91/48/1171889148.db2.gz UPAOXTVZRMQLCN-HZPDHXFCSA-N 2 1 359.474 0.735 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246028 1171893240 /nfs/dbraw/zinc/89/32/40/1171893240.db2.gz VRRJWXMGNUDUGU-JCGIZDLHSA-N 2 1 371.441 0.827 20 0 FCADMP CO[C@@H](C)CN1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246028 1171893243 /nfs/dbraw/zinc/89/32/43/1171893243.db2.gz VRRJWXMGNUDUGU-JCGIZDLHSA-N 2 1 371.441 0.827 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083247677 1172003559 /nfs/dbraw/zinc/00/35/59/1172003559.db2.gz AGOFCJKKEUUMLR-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083247677 1172003563 /nfs/dbraw/zinc/00/35/63/1172003563.db2.gz AGOFCJKKEUUMLR-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083247677 1172003573 /nfs/dbraw/zinc/00/35/73/1172003573.db2.gz AGOFCJKKEUUMLR-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000989386567 1192827244 /nfs/dbraw/zinc/82/72/44/1192827244.db2.gz RDZKZUBRWDQBMO-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)C1 ZINC000989386567 1192827245 /nfs/dbraw/zinc/82/72/45/1192827245.db2.gz RDZKZUBRWDQBMO-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000898030003 1192855265 /nfs/dbraw/zinc/85/52/65/1192855265.db2.gz KRONQKPVCOIMEQ-HZPDHXFCSA-N 2 1 371.485 0.885 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000898165348 1192861757 /nfs/dbraw/zinc/86/17/57/1192861757.db2.gz GOISQTDTKVWHOS-FJIDUMEYSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1=O ZINC000898165348 1192861758 /nfs/dbraw/zinc/86/17/58/1192861758.db2.gz GOISQTDTKVWHOS-FJIDUMEYSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1=O ZINC000898165348 1192861762 /nfs/dbraw/zinc/86/17/62/1192861762.db2.gz GOISQTDTKVWHOS-FJIDUMEYSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087236314 1179057878 /nfs/dbraw/zinc/05/78/78/1179057878.db2.gz QRPJOJDGCCAQIP-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)ccc2c[nH+]cn21 ZINC001023216967 1179234224 /nfs/dbraw/zinc/23/42/24/1179234224.db2.gz RAKNBLJNEPKGRX-BRWVUGGUSA-N 2 1 371.441 0.038 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3COCC[NH2+]3)c2)C1 ZINC000262475163 1180214971 /nfs/dbraw/zinc/21/49/71/1180214971.db2.gz YTMQKMXUUPTDIH-ZWKOTPCHSA-N 2 1 374.485 0.379 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000081326678 1180750946 /nfs/dbraw/zinc/75/09/46/1180750946.db2.gz JNOCYHJHIGLVSV-FUHWJXTLSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000081326678 1180750962 /nfs/dbraw/zinc/75/09/62/1180750962.db2.gz JNOCYHJHIGLVSV-FUHWJXTLSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000081326678 1180750972 /nfs/dbraw/zinc/75/09/72/1180750972.db2.gz JNOCYHJHIGLVSV-FUHWJXTLSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000081326678 1180750984 /nfs/dbraw/zinc/75/09/84/1180750984.db2.gz JNOCYHJHIGLVSV-FUHWJXTLSA-N 2 1 373.501 0.750 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001024039136 1180806449 /nfs/dbraw/zinc/80/64/49/1180806449.db2.gz PSQGVUHDTGXYFG-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001024039136 1180806452 /nfs/dbraw/zinc/80/64/52/1180806452.db2.gz PSQGVUHDTGXYFG-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001024039057 1180806704 /nfs/dbraw/zinc/80/67/04/1180806704.db2.gz NNKYCRCZDQGEPB-SOLBZPMBSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001024039057 1180806707 /nfs/dbraw/zinc/80/67/07/1180806707.db2.gz NNKYCRCZDQGEPB-SOLBZPMBSA-N 2 1 363.506 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCc2cnn(C)c2)O1 ZINC001024507714 1181263454 /nfs/dbraw/zinc/26/34/54/1181263454.db2.gz XHWNCAHFUCAOCD-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCc2cnn(C)c2)O1 ZINC001024507714 1181263459 /nfs/dbraw/zinc/26/34/59/1181263459.db2.gz XHWNCAHFUCAOCD-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCc2cnn(C)c2)O1 ZINC001024507714 1181263463 /nfs/dbraw/zinc/26/34/63/1181263463.db2.gz XHWNCAHFUCAOCD-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCc2cnn(C)c2)O1 ZINC001024507714 1181263469 /nfs/dbraw/zinc/26/34/69/1181263469.db2.gz XHWNCAHFUCAOCD-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)O1 ZINC000947249865 1181563217 /nfs/dbraw/zinc/56/32/17/1181563217.db2.gz MQDHLWMWCYPDDX-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[NH+]3C)CC2)O1 ZINC000947249865 1181563231 /nfs/dbraw/zinc/56/32/31/1181563231.db2.gz MQDHLWMWCYPDDX-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000947249865 1181563243 /nfs/dbraw/zinc/56/32/43/1181563243.db2.gz MQDHLWMWCYPDDX-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)O1 ZINC000947249865 1181563248 /nfs/dbraw/zinc/56/32/48/1181563248.db2.gz MQDHLWMWCYPDDX-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@@H]21 ZINC000892519223 1181710041 /nfs/dbraw/zinc/71/00/41/1181710041.db2.gz MZHQRSPSOCXJJK-YJBOKZPZSA-N 2 1 369.473 0.962 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274963 1181778017 /nfs/dbraw/zinc/77/80/17/1181778017.db2.gz IXXSBRQRGHFBRX-YTQUADARSA-N 2 1 359.470 0.929 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274963 1181778021 /nfs/dbraw/zinc/77/80/21/1181778021.db2.gz IXXSBRQRGHFBRX-YTQUADARSA-N 2 1 359.470 0.929 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274963 1181778024 /nfs/dbraw/zinc/77/80/24/1181778024.db2.gz IXXSBRQRGHFBRX-YTQUADARSA-N 2 1 359.470 0.929 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274963 1181778026 /nfs/dbraw/zinc/77/80/26/1181778026.db2.gz IXXSBRQRGHFBRX-YTQUADARSA-N 2 1 359.470 0.929 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000947251705 1181837800 /nfs/dbraw/zinc/83/78/00/1181837800.db2.gz XZWOGZVUNRQZBU-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000947251705 1181837804 /nfs/dbraw/zinc/83/78/04/1181837804.db2.gz XZWOGZVUNRQZBU-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000947251705 1181837809 /nfs/dbraw/zinc/83/78/09/1181837809.db2.gz XZWOGZVUNRQZBU-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000947251705 1181837815 /nfs/dbraw/zinc/83/78/15/1181837815.db2.gz XZWOGZVUNRQZBU-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1nccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083275505 1181849579 /nfs/dbraw/zinc/84/95/79/1181849579.db2.gz HRDVAXRBRBXPTP-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083275505 1181849588 /nfs/dbraw/zinc/84/95/88/1181849588.db2.gz HRDVAXRBRBXPTP-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994161 1181863552 /nfs/dbraw/zinc/86/35/52/1181863552.db2.gz HZZVIIBOQOEKSM-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973367022 1182260534 /nfs/dbraw/zinc/26/05/34/1182260534.db2.gz AHXNHNPKGSZNJF-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973367022 1182260541 /nfs/dbraw/zinc/26/05/41/1182260541.db2.gz AHXNHNPKGSZNJF-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973367022 1182260547 /nfs/dbraw/zinc/26/05/47/1182260547.db2.gz AHXNHNPKGSZNJF-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973367022 1182260554 /nfs/dbraw/zinc/26/05/54/1182260554.db2.gz AHXNHNPKGSZNJF-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001112009536 1182319476 /nfs/dbraw/zinc/31/94/76/1182319476.db2.gz HNINHGHUDYJXCJ-LPHOPBHVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000973549956 1182384116 /nfs/dbraw/zinc/38/41/16/1182384116.db2.gz CXZWIBPOUFFICP-RFBLXINOSA-N 2 1 359.474 0.771 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001481136870 1182445030 /nfs/dbraw/zinc/44/50/30/1182445030.db2.gz SJEIWWRHZVFWGW-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001481136870 1182445038 /nfs/dbraw/zinc/44/50/38/1182445038.db2.gz SJEIWWRHZVFWGW-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001481136870 1182445044 /nfs/dbraw/zinc/44/50/44/1182445044.db2.gz SJEIWWRHZVFWGW-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001481136870 1182445050 /nfs/dbraw/zinc/44/50/50/1182445050.db2.gz SJEIWWRHZVFWGW-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000892917912 1182579062 /nfs/dbraw/zinc/57/90/62/1182579062.db2.gz CXKPLXGHQDMEIM-HNAYVOBHSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001025683989 1182682659 /nfs/dbraw/zinc/68/26/59/1182682659.db2.gz WDAOLTOSMXBKJC-ARFHVFGLSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001025793963 1182845968 /nfs/dbraw/zinc/84/59/68/1182845968.db2.gz FDOWQHPGBSMNEH-LQYQHUGMSA-N 2 1 357.498 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001025793963 1182845969 /nfs/dbraw/zinc/84/59/69/1182845969.db2.gz FDOWQHPGBSMNEH-LQYQHUGMSA-N 2 1 357.498 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001025793963 1182845971 /nfs/dbraw/zinc/84/59/71/1182845971.db2.gz FDOWQHPGBSMNEH-LQYQHUGMSA-N 2 1 357.498 0.977 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)O1 ZINC001025818231 1182859347 /nfs/dbraw/zinc/85/93/47/1182859347.db2.gz FMPVFJYEOLLQTH-FSPSIFDESA-N 2 1 359.470 0.486 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)c4ccccc4)C[C@H]32)O1 ZINC001025818231 1182859349 /nfs/dbraw/zinc/85/93/49/1182859349.db2.gz FMPVFJYEOLLQTH-FSPSIFDESA-N 2 1 359.470 0.486 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)c4ccccc4)C[C@H]32)O1 ZINC001025818231 1182859351 /nfs/dbraw/zinc/85/93/51/1182859351.db2.gz FMPVFJYEOLLQTH-FSPSIFDESA-N 2 1 359.470 0.486 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)c4ccccc4)C[C@H]32)O1 ZINC001025818231 1182859353 /nfs/dbraw/zinc/85/93/53/1182859353.db2.gz FMPVFJYEOLLQTH-FSPSIFDESA-N 2 1 359.470 0.486 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]32)O1 ZINC001025818231 1182859355 /nfs/dbraw/zinc/85/93/55/1182859355.db2.gz FMPVFJYEOLLQTH-FSPSIFDESA-N 2 1 359.470 0.486 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063295 1182878098 /nfs/dbraw/zinc/87/80/98/1182878098.db2.gz DUZXIVSYJSKEFD-SVMUCYCZSA-N 2 1 368.481 0.267 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063295 1182878104 /nfs/dbraw/zinc/87/81/04/1182878104.db2.gz DUZXIVSYJSKEFD-SVMUCYCZSA-N 2 1 368.481 0.267 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063295 1182878106 /nfs/dbraw/zinc/87/81/06/1182878106.db2.gz DUZXIVSYJSKEFD-SVMUCYCZSA-N 2 1 368.481 0.267 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001104795361 1182923579 /nfs/dbraw/zinc/92/35/79/1182923579.db2.gz ONPKWPNWDBOYJG-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795577 1182924011 /nfs/dbraw/zinc/92/40/11/1182924011.db2.gz URHYNETUPCDVDG-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CN1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+](C)CC1 ZINC000893190020 1182933911 /nfs/dbraw/zinc/93/39/11/1182933911.db2.gz AGQVIMPEJQBGHR-UHFFFAOYSA-N 2 1 373.545 0.974 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873640 1182968798 /nfs/dbraw/zinc/96/87/98/1182968798.db2.gz COEFXEHRLOAWLS-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104932906 1183006952 /nfs/dbraw/zinc/00/69/52/1183006952.db2.gz VCKMIQQDQPMPEY-OAGGEKHMSA-N 2 1 366.506 0.598 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1CCNCc1ncnn1C ZINC001104967280 1183026611 /nfs/dbraw/zinc/02/66/11/1183026611.db2.gz PXTYFAJQONZRMT-HUUCEWRRSA-N 2 1 359.478 0.756 20 0 FCADMP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1C ZINC001105008021 1183065117 /nfs/dbraw/zinc/06/51/17/1183065117.db2.gz MHOBSIZXDHYMQF-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008273 1183066999 /nfs/dbraw/zinc/06/69/99/1183066999.db2.gz WLSNJEFZPGIWND-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001105008099 1183067018 /nfs/dbraw/zinc/06/70/18/1183067018.db2.gz PZGGBEJNHQZPQL-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001105067034 1183100828 /nfs/dbraw/zinc/10/08/28/1183100828.db2.gz KAQVIPKQZJHPMD-KZNAEPCWSA-N 2 1 365.522 0.658 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC000974525876 1183299249 /nfs/dbraw/zinc/29/92/49/1183299249.db2.gz FVOKSMIKBVUBOO-QGPMSJSTSA-N 2 1 367.453 0.959 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC000974546610 1183320850 /nfs/dbraw/zinc/32/08/50/1183320850.db2.gz XUSLVKIVGINMNO-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000974546610 1183320861 /nfs/dbraw/zinc/32/08/61/1183320861.db2.gz XUSLVKIVGINMNO-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000974545347 1183326621 /nfs/dbraw/zinc/32/66/21/1183326621.db2.gz SHGKLCLWYRYTLB-NUJGCVRESA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000974545250 1183326940 /nfs/dbraw/zinc/32/69/40/1183326940.db2.gz YPNBDBNNIQDSGF-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000974545250 1183326947 /nfs/dbraw/zinc/32/69/47/1183326947.db2.gz YPNBDBNNIQDSGF-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974567021 1183337158 /nfs/dbraw/zinc/33/71/58/1183337158.db2.gz SZJPEINXVQLGJF-IXDOHACOSA-N 2 1 360.502 0.768 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1 ZINC000974571196 1183352347 /nfs/dbraw/zinc/35/23/47/1183352347.db2.gz NCKQZOZYRPFPKX-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP Cn1cncc1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974587301 1183366582 /nfs/dbraw/zinc/36/65/82/1183366582.db2.gz YYZBIOGBZDOGOH-BFYDXBDKSA-N 2 1 359.474 0.364 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CCC1 ZINC000974592831 1183370645 /nfs/dbraw/zinc/37/06/45/1183370645.db2.gz PAYGXFHXIKEREP-NVXWUHKLSA-N 2 1 360.502 0.626 20 0 FCADMP COCCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001026852167 1183413517 /nfs/dbraw/zinc/41/35/17/1183413517.db2.gz LPBWXSYVLXNPKU-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975201990 1183760429 /nfs/dbraw/zinc/76/04/29/1183760429.db2.gz AZHBLMNFMDOAGK-CGTJXYLNSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975812095 1185806340 /nfs/dbraw/zinc/80/63/40/1185806340.db2.gz YQDSBIRGGJDHHQ-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000975812095 1185806341 /nfs/dbraw/zinc/80/63/41/1185806341.db2.gz YQDSBIRGGJDHHQ-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+][C@H]3CCNC3=O)cc2)CC[N@H+]1C ZINC001027254979 1185834693 /nfs/dbraw/zinc/83/46/93/1185834693.db2.gz WGRCGWSATCIQSD-OLMNPRSZSA-N 2 1 358.486 0.664 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112529735 1186090003 /nfs/dbraw/zinc/09/00/03/1186090003.db2.gz MMIMYARMFHMKRQ-GUXCAODWSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000979800709 1186123436 /nfs/dbraw/zinc/12/34/36/1186123436.db2.gz HQSDSZNWCHNOPK-RTKZEXODSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966592 1186241963 /nfs/dbraw/zinc/24/19/63/1186241963.db2.gz RMXOBMYJWKXEIU-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966592 1186241976 /nfs/dbraw/zinc/24/19/76/1186241976.db2.gz RMXOBMYJWKXEIU-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966592 1186241982 /nfs/dbraw/zinc/24/19/82/1186241982.db2.gz RMXOBMYJWKXEIU-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966592 1186241988 /nfs/dbraw/zinc/24/19/88/1186241988.db2.gz RMXOBMYJWKXEIU-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCC(=O)NC2=O)C3)CC[N@H+]1C ZINC000981776056 1186516566 /nfs/dbraw/zinc/51/65/66/1186516566.db2.gz DZTDNHIDESDPNZ-RBSFLKMASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC000981776056 1186516569 /nfs/dbraw/zinc/51/65/69/1186516569.db2.gz DZTDNHIDESDPNZ-RBSFLKMASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC000981776056 1186516575 /nfs/dbraw/zinc/51/65/75/1186516575.db2.gz DZTDNHIDESDPNZ-RBSFLKMASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000981785803 1186521375 /nfs/dbraw/zinc/52/13/75/1186521375.db2.gz RBQBFEAZKDHXPF-YYIAUSFCSA-N 2 1 362.518 0.824 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001028146108 1186553862 /nfs/dbraw/zinc/55/38/62/1186553862.db2.gz VLRXUFMUPFCGSB-ARFHVFGLSA-N 2 1 359.474 0.727 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211702840 1186586494 /nfs/dbraw/zinc/58/64/94/1186586494.db2.gz HNFSVXHPPFJRHJ-RBUKOAKNSA-N 2 1 363.502 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)C1 ZINC001211726344 1187485770 /nfs/dbraw/zinc/48/57/70/1187485770.db2.gz WSIKGSCSDHVHOG-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)C1 ZINC001211726344 1187485773 /nfs/dbraw/zinc/48/57/73/1187485773.db2.gz WSIKGSCSDHVHOG-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444066 1187522819 /nfs/dbraw/zinc/52/28/19/1187522819.db2.gz VUGQYLINCLRNDA-GUDVDZBRSA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444066 1187522830 /nfs/dbraw/zinc/52/28/30/1187522830.db2.gz VUGQYLINCLRNDA-GUDVDZBRSA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444066 1187522835 /nfs/dbraw/zinc/52/28/35/1187522835.db2.gz VUGQYLINCLRNDA-GUDVDZBRSA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444066 1187522842 /nfs/dbraw/zinc/52/28/42/1187522842.db2.gz VUGQYLINCLRNDA-GUDVDZBRSA-N 2 1 361.486 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+][C@@H]3CCCN(C)C3=O)CCCC2)CC[N@H+]1C ZINC001481897281 1187546190 /nfs/dbraw/zinc/54/61/90/1187546190.db2.gz UUOVENZBVDUMEC-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028552267 1187604906 /nfs/dbraw/zinc/60/49/06/1187604906.db2.gz KLZDPHYUGLXSAK-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001028552267 1187604909 /nfs/dbraw/zinc/60/49/09/1187604909.db2.gz KLZDPHYUGLXSAK-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+](CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1)Cc1ccccc1 ZINC000729386232 1187725079 /nfs/dbraw/zinc/72/50/79/1187725079.db2.gz LBAWOXXSKPRZPD-UHFFFAOYSA-N 2 1 374.529 0.985 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1)Cc1ccccc1 ZINC000729386232 1187725084 /nfs/dbraw/zinc/72/50/84/1187725084.db2.gz LBAWOXXSKPRZPD-UHFFFAOYSA-N 2 1 374.529 0.985 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)c1 ZINC000420158932 1187799219 /nfs/dbraw/zinc/79/92/19/1187799219.db2.gz HKJBTUPDWAYQGS-MRXNPFEDSA-N 2 1 373.501 0.933 20 0 FCADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000894255722 1187815239 /nfs/dbraw/zinc/81/52/39/1187815239.db2.gz IGPOGXCYGBBBAF-KRWDZBQOSA-N 2 1 368.522 0.849 20 0 FCADMP Cn1cncc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001270488263 1188170676 /nfs/dbraw/zinc/17/06/76/1188170676.db2.gz BAIJLFYURIAGTQ-GDBMZVCRSA-N 2 1 359.474 0.617 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000550136494 1188233655 /nfs/dbraw/zinc/23/36/55/1188233655.db2.gz GPSIFJXMQFPCHC-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000550136494 1188233659 /nfs/dbraw/zinc/23/36/59/1188233659.db2.gz GPSIFJXMQFPCHC-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550271830 1188252466 /nfs/dbraw/zinc/25/24/66/1188252466.db2.gz YPSWSDGPFKUFLV-UHFFFAOYSA-N 2 1 368.522 0.453 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012248 1189371149 /nfs/dbraw/zinc/37/11/49/1189371149.db2.gz DZZMMSRGPMLNQQ-DNNBLBMLSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012248 1189371153 /nfs/dbraw/zinc/37/11/53/1189371153.db2.gz DZZMMSRGPMLNQQ-DNNBLBMLSA-N 2 1 364.494 0.310 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001087529575 1189383616 /nfs/dbraw/zinc/38/36/16/1189383616.db2.gz METOOVCKBWLHGX-IPMKNSEASA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001087529575 1189383622 /nfs/dbraw/zinc/38/36/22/1189383622.db2.gz METOOVCKBWLHGX-IPMKNSEASA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001087529575 1189383626 /nfs/dbraw/zinc/38/36/26/1189383626.db2.gz METOOVCKBWLHGX-IPMKNSEASA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(CO)cc1 ZINC001087529575 1189383636 /nfs/dbraw/zinc/38/36/36/1189383636.db2.gz METOOVCKBWLHGX-IPMKNSEASA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCN1CCCC1=O ZINC001087574707 1189615743 /nfs/dbraw/zinc/61/57/43/1189615743.db2.gz UEEXFGNJKIVLAH-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087796954 1189828078 /nfs/dbraw/zinc/82/80/78/1189828078.db2.gz RWBKXJWWFDIFPV-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087796954 1189828080 /nfs/dbraw/zinc/82/80/80/1189828080.db2.gz RWBKXJWWFDIFPV-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087796954 1189828082 /nfs/dbraw/zinc/82/80/82/1189828082.db2.gz RWBKXJWWFDIFPV-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001087799326 1189829090 /nfs/dbraw/zinc/82/90/90/1189829090.db2.gz OTOUFJAFQIQQGM-DLBZAZTESA-N 2 1 358.486 0.950 20 0 FCADMP CN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000895333968 1189836171 /nfs/dbraw/zinc/83/61/71/1189836171.db2.gz MZBBDQDPHDIXIQ-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CN1CCC[C@@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008280 1189911762 /nfs/dbraw/zinc/91/17/62/1189911762.db2.gz CCIFCUGMKUSOPX-IAGOWNOFSA-N 2 1 374.489 0.731 20 0 FCADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008280 1189911816 /nfs/dbraw/zinc/91/18/16/1189911816.db2.gz CCIFCUGMKUSOPX-IAGOWNOFSA-N 2 1 374.489 0.731 20 0 FCADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008280 1189911836 /nfs/dbraw/zinc/91/18/36/1189911836.db2.gz CCIFCUGMKUSOPX-IAGOWNOFSA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008280 1189911854 /nfs/dbraw/zinc/91/18/54/1189911854.db2.gz CCIFCUGMKUSOPX-IAGOWNOFSA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008280 1189911870 /nfs/dbraw/zinc/91/18/70/1189911870.db2.gz CCIFCUGMKUSOPX-IAGOWNOFSA-N 2 1 374.489 0.731 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896009042 1189912279 /nfs/dbraw/zinc/91/22/79/1189912279.db2.gz JNPXWPJJQWJGAC-QGZVFWFLSA-N 2 1 364.490 0.038 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4nnnn4C4CC4)C[C@H]3C2)CC[N@H+]1C ZINC001087971638 1190032225 /nfs/dbraw/zinc/03/22/25/1190032225.db2.gz KVPSQEDDDHVXHB-PNBKFKSVSA-N 2 1 373.505 0.629 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)Cn1cc[nH+]c1C ZINC000984730292 1190096633 /nfs/dbraw/zinc/09/66/33/1190096633.db2.gz SVVUASKECJFVJF-XHSDSOJGSA-N 2 1 363.462 0.018 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029480276 1190100873 /nfs/dbraw/zinc/10/08/73/1190100873.db2.gz QUWARKYAEVCNLL-JKJDWNRSSA-N 2 1 357.458 0.477 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H]1CCCNC1=O ZINC001029480276 1190100875 /nfs/dbraw/zinc/10/08/75/1190100875.db2.gz QUWARKYAEVCNLL-JKJDWNRSSA-N 2 1 357.458 0.477 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cnnn3C)C[C@H]2C1 ZINC001087986263 1190114840 /nfs/dbraw/zinc/11/48/40/1190114840.db2.gz DGLHZKUZSILRHK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986263 1190114843 /nfs/dbraw/zinc/11/48/43/1190114843.db2.gz DGLHZKUZSILRHK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986263 1190114846 /nfs/dbraw/zinc/11/48/46/1190114846.db2.gz DGLHZKUZSILRHK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986263 1190114849 /nfs/dbraw/zinc/11/48/49/1190114849.db2.gz DGLHZKUZSILRHK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087986263 1190114851 /nfs/dbraw/zinc/11/48/51/1190114851.db2.gz DGLHZKUZSILRHK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)CCC1 ZINC001087992037 1190142592 /nfs/dbraw/zinc/14/25/92/1190142592.db2.gz AFMPRPGGEMGYOX-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010460 1190209809 /nfs/dbraw/zinc/20/98/09/1190209809.db2.gz VZBKLRZWEBTJKH-IKGGRYGDSA-N 2 1 362.518 0.907 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cncc4C3)C[C@@H]2C1)N1CCC1 ZINC001088017406 1190226240 /nfs/dbraw/zinc/22/62/40/1190226240.db2.gz ZNBYXWRXXSOAJZ-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026129 1190260776 /nfs/dbraw/zinc/26/07/76/1190260776.db2.gz UCYLMUPTISQHAB-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088042344 1190300640 /nfs/dbraw/zinc/30/06/40/1190300640.db2.gz KFLDTTFNKLVFBN-MSOLQXFVSA-N 2 1 369.469 0.871 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088042344 1190300644 /nfs/dbraw/zinc/30/06/44/1190300644.db2.gz KFLDTTFNKLVFBN-MSOLQXFVSA-N 2 1 369.469 0.871 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077103 1190411891 /nfs/dbraw/zinc/41/18/91/1190411891.db2.gz KCYZPPKLHPNWSQ-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077103 1190411896 /nfs/dbraw/zinc/41/18/96/1190411896.db2.gz KCYZPPKLHPNWSQ-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001088077103 1190411898 /nfs/dbraw/zinc/41/18/98/1190411898.db2.gz KCYZPPKLHPNWSQ-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(Cc4cnon4)C[C@H]3C2)C1 ZINC001088080771 1190450781 /nfs/dbraw/zinc/45/07/81/1190450781.db2.gz MHPKFAOQIUKQFS-HLLBOEOZSA-N 2 1 363.462 0.459 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(Cc4cnon4)C[C@H]3C2)C1 ZINC001088080771 1190450783 /nfs/dbraw/zinc/45/07/83/1190450783.db2.gz MHPKFAOQIUKQFS-HLLBOEOZSA-N 2 1 363.462 0.459 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)C1CC1 ZINC001088090509 1190538592 /nfs/dbraw/zinc/53/85/92/1190538592.db2.gz RWHDEPCMPQZJTQ-SJORKVTESA-N 2 1 362.518 0.729 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC1 ZINC001088150428 1190673946 /nfs/dbraw/zinc/67/39/46/1190673946.db2.gz CBWKFQKLVBWAQZ-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664888 1190759695 /nfs/dbraw/zinc/75/96/95/1190759695.db2.gz PTEWUJYFPQCDTA-MSOLQXFVSA-N 2 1 358.486 0.740 20 0 FCADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664888 1190759701 /nfs/dbraw/zinc/75/97/01/1190759701.db2.gz PTEWUJYFPQCDTA-MSOLQXFVSA-N 2 1 358.486 0.740 20 0 FCADMP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664888 1190759707 /nfs/dbraw/zinc/75/97/07/1190759707.db2.gz PTEWUJYFPQCDTA-MSOLQXFVSA-N 2 1 358.486 0.740 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986130787 1190901123 /nfs/dbraw/zinc/90/11/23/1190901123.db2.gz MIYCWJOEPPRLCP-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1)C1CCC1 ZINC000986283436 1190944633 /nfs/dbraw/zinc/94/46/33/1190944633.db2.gz OKMBVJCEZWHKKQ-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)C1 ZINC000986423710 1190986119 /nfs/dbraw/zinc/98/61/19/1190986119.db2.gz YPWOWHNYCNZNBP-OAGGEKHMSA-N 2 1 359.474 0.601 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CCc1nnn(C(C)(C)C)n1 ZINC001088493350 1191008297 /nfs/dbraw/zinc/00/82/97/1191008297.db2.gz IIZJYMQSBQNPHY-ILXRZTDVSA-N 2 1 363.510 0.644 20 0 FCADMP Cc1nnc(CN(C)CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029972689 1191054370 /nfs/dbraw/zinc/05/43/70/1191054370.db2.gz MAVNBGXQHRXVKK-CZUORRHYSA-N 2 1 365.478 0.768 20 0 FCADMP Cc1nnc(CN(C)CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029972689 1191054371 /nfs/dbraw/zinc/05/43/71/1191054371.db2.gz MAVNBGXQHRXVKK-CZUORRHYSA-N 2 1 365.478 0.768 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ccnn3C)CC2)O1 ZINC001029972467 1191055133 /nfs/dbraw/zinc/05/51/33/1191055133.db2.gz HUTKFLJEEWSSAN-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ccnn3C)CC2)O1 ZINC001029972467 1191055138 /nfs/dbraw/zinc/05/51/38/1191055138.db2.gz HUTKFLJEEWSSAN-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ccnn3C)CC2)O1 ZINC001029972467 1191055141 /nfs/dbraw/zinc/05/51/41/1191055141.db2.gz HUTKFLJEEWSSAN-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccnn3C)CC2)O1 ZINC001029972467 1191055144 /nfs/dbraw/zinc/05/51/44/1191055144.db2.gz HUTKFLJEEWSSAN-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP CCC[N@H+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059856682 1191147725 /nfs/dbraw/zinc/14/77/25/1191147725.db2.gz XEXJSAQPMIOMSV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059856682 1191147727 /nfs/dbraw/zinc/14/77/27/1191147727.db2.gz XEXJSAQPMIOMSV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856682 1191147728 /nfs/dbraw/zinc/14/77/28/1191147728.db2.gz XEXJSAQPMIOMSV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856682 1191147730 /nfs/dbraw/zinc/14/77/30/1191147730.db2.gz XEXJSAQPMIOMSV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)O1 ZINC001059857726 1191151758 /nfs/dbraw/zinc/15/17/58/1191151758.db2.gz HLZPEGHBAYCDRA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)O1 ZINC001059857726 1191151759 /nfs/dbraw/zinc/15/17/59/1191151759.db2.gz HLZPEGHBAYCDRA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC000988190505 1191157727 /nfs/dbraw/zinc/15/77/27/1191157727.db2.gz OQKGSQKNDYZXED-PVAVHDDUSA-N 2 1 359.474 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC000988316199 1191177577 /nfs/dbraw/zinc/17/75/77/1191177577.db2.gz NTUMZBWSNWRUEV-VQHPVUNQSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC000988316199 1191177579 /nfs/dbraw/zinc/17/75/79/1191177579.db2.gz NTUMZBWSNWRUEV-VQHPVUNQSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088563553 1191197670 /nfs/dbraw/zinc/19/76/70/1191197670.db2.gz VKNCJGIKQICDHL-OWCLPIDISA-N 2 1 364.490 0.587 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088563553 1191197673 /nfs/dbraw/zinc/19/76/73/1191197673.db2.gz VKNCJGIKQICDHL-OWCLPIDISA-N 2 1 364.490 0.587 20 0 FCADMP CCN(C)C(=O)CN1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001218128743 1224141806 /nfs/dbraw/zinc/14/18/06/1224141806.db2.gz AECDGGOYYDALHD-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204500 1224147122 /nfs/dbraw/zinc/14/71/22/1224147122.db2.gz AGLHHQDHPYIEDF-BPQIPLTHSA-N 2 1 362.474 0.854 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276778854 1224150847 /nfs/dbraw/zinc/15/08/47/1224150847.db2.gz MAYBKRJZFBRTDK-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)OCC[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276778854 1224150849 /nfs/dbraw/zinc/15/08/49/1224150849.db2.gz MAYBKRJZFBRTDK-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276778854 1224150851 /nfs/dbraw/zinc/15/08/51/1224150851.db2.gz MAYBKRJZFBRTDK-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333903 1224155071 /nfs/dbraw/zinc/15/50/71/1224155071.db2.gz YVZNFJCHZJBBOU-VVJOJPPRSA-N 2 1 363.502 0.951 20 0 FCADMP CCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333903 1224155073 /nfs/dbraw/zinc/15/50/73/1224155073.db2.gz YVZNFJCHZJBBOU-VVJOJPPRSA-N 2 1 363.502 0.951 20 0 FCADMP CCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333903 1224155075 /nfs/dbraw/zinc/15/50/75/1224155075.db2.gz YVZNFJCHZJBBOU-VVJOJPPRSA-N 2 1 363.502 0.951 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)CCCC1 ZINC001218363135 1224156128 /nfs/dbraw/zinc/15/61/28/1224156128.db2.gz JFVCFBXEEMNWAY-HRCADAONSA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)CCCC1 ZINC001218363135 1224156130 /nfs/dbraw/zinc/15/61/30/1224156130.db2.gz JFVCFBXEEMNWAY-HRCADAONSA-N 2 1 364.490 0.051 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218362803 1224156181 /nfs/dbraw/zinc/15/61/81/1224156181.db2.gz DSWJSJBOAJMSIY-YESZJQIVSA-N 2 1 369.506 0.170 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582235 1193734256 /nfs/dbraw/zinc/73/42/56/1193734256.db2.gz WQJIJGOHDPJXIO-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582235 1193734258 /nfs/dbraw/zinc/73/42/58/1193734258.db2.gz WQJIJGOHDPJXIO-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582235 1193734261 /nfs/dbraw/zinc/73/42/61/1193734261.db2.gz WQJIJGOHDPJXIO-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550780616 1193787456 /nfs/dbraw/zinc/78/74/56/1193787456.db2.gz IMSXQCPJLSLUFM-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105641555 1193844883 /nfs/dbraw/zinc/84/48/83/1193844883.db2.gz CLLHNLJEAWIPAT-RWQQGDIJSA-N 2 1 364.490 0.804 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000551331406 1193850465 /nfs/dbraw/zinc/85/04/65/1193850465.db2.gz SOTGMJCNRRNGDO-HNNXBMFYSA-N 2 1 361.490 0.678 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001218556875 1224173339 /nfs/dbraw/zinc/17/33/39/1224173339.db2.gz XWWMHOGRINRRGN-INIZCTEOSA-N 2 1 362.478 0.406 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757213 1193891825 /nfs/dbraw/zinc/89/18/25/1193891825.db2.gz NWSVPKXUZLILTE-ADVWOHTOSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757213 1193891826 /nfs/dbraw/zinc/89/18/26/1193891826.db2.gz NWSVPKXUZLILTE-ADVWOHTOSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757213 1193891828 /nfs/dbraw/zinc/89/18/28/1193891828.db2.gz NWSVPKXUZLILTE-ADVWOHTOSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757213 1193891831 /nfs/dbraw/zinc/89/18/31/1193891831.db2.gz NWSVPKXUZLILTE-ADVWOHTOSA-N 2 1 371.485 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471647 1193932981 /nfs/dbraw/zinc/93/29/81/1193932981.db2.gz RWPHLBXUDBCAQP-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471647 1193932983 /nfs/dbraw/zinc/93/29/83/1193932983.db2.gz RWPHLBXUDBCAQP-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000552471647 1193932987 /nfs/dbraw/zinc/93/29/87/1193932987.db2.gz RWPHLBXUDBCAQP-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000552471647 1193932991 /nfs/dbraw/zinc/93/29/91/1193932991.db2.gz RWPHLBXUDBCAQP-QAPCUYQASA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCN1CCNC1=O ZINC001088770236 1193937005 /nfs/dbraw/zinc/93/70/05/1193937005.db2.gz DIVZSYMOJLMOHN-PVAVHDDUSA-N 2 1 363.506 0.465 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000552539006 1193938084 /nfs/dbraw/zinc/93/80/84/1193938084.db2.gz VBYJTQYOZXMWDR-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000552539006 1193938088 /nfs/dbraw/zinc/93/80/88/1193938088.db2.gz VBYJTQYOZXMWDR-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000552540072 1193938453 /nfs/dbraw/zinc/93/84/53/1193938453.db2.gz LMSOPAIHIOENFA-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000552539771 1193938465 /nfs/dbraw/zinc/93/84/65/1193938465.db2.gz AMOPRLYCUFUDDO-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000552539771 1193938467 /nfs/dbraw/zinc/93/84/67/1193938467.db2.gz AMOPRLYCUFUDDO-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552708192 1193948378 /nfs/dbraw/zinc/94/83/78/1193948378.db2.gz WUFXZDNGALJIBR-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552708192 1193948379 /nfs/dbraw/zinc/94/83/79/1193948379.db2.gz WUFXZDNGALJIBR-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000552845499 1193954868 /nfs/dbraw/zinc/95/48/68/1193954868.db2.gz CMDITKKDBPQYTR-INIZCTEOSA-N 2 1 370.497 0.856 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000552884845 1193956353 /nfs/dbraw/zinc/95/63/53/1193956353.db2.gz NQCLIPLSDQWGKV-IAGOWNOFSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552884845 1193956357 /nfs/dbraw/zinc/95/63/57/1193956357.db2.gz NQCLIPLSDQWGKV-IAGOWNOFSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552884845 1193956359 /nfs/dbraw/zinc/95/63/59/1193956359.db2.gz NQCLIPLSDQWGKV-IAGOWNOFSA-N 2 1 368.522 0.165 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@@H]21 ZINC001218600477 1224179834 /nfs/dbraw/zinc/17/98/34/1224179834.db2.gz JZSHXXLMWIEMJZ-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@@H]21 ZINC001218600477 1224179840 /nfs/dbraw/zinc/17/98/40/1224179840.db2.gz JZSHXXLMWIEMJZ-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21)[NH+](CC)CC ZINC001218624378 1224184619 /nfs/dbraw/zinc/18/46/19/1224184619.db2.gz OQNGALYRUOURKD-OKZBNKHCSA-N 2 1 363.506 0.915 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21)[NH+](CC)CC ZINC001218624378 1224184623 /nfs/dbraw/zinc/18/46/23/1224184623.db2.gz OQNGALYRUOURKD-OKZBNKHCSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553263079 1193985986 /nfs/dbraw/zinc/98/59/86/1193985986.db2.gz CQLIOQDJRFMYRV-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088792516 1194003230 /nfs/dbraw/zinc/00/32/30/1194003230.db2.gz RSSNUEUMCHCZDV-ZACQAIPSSA-N 2 1 363.506 0.697 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000553712128 1194015882 /nfs/dbraw/zinc/01/58/82/1194015882.db2.gz QUKQOISXHUZQBY-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506100 1194054561 /nfs/dbraw/zinc/05/45/61/1194054561.db2.gz PZFASMQVJBZMIZ-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506100 1194054570 /nfs/dbraw/zinc/05/45/70/1194054570.db2.gz PZFASMQVJBZMIZ-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506100 1194054575 /nfs/dbraw/zinc/05/45/75/1194054575.db2.gz PZFASMQVJBZMIZ-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506100 1194054580 /nfs/dbraw/zinc/05/45/80/1194054580.db2.gz PZFASMQVJBZMIZ-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000842191482 1194086306 /nfs/dbraw/zinc/08/63/06/1194086306.db2.gz YDKZWHMXYQKBMD-XLIONFOSSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765734 1194116958 /nfs/dbraw/zinc/11/69/58/1194116958.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@@H+]1C ZINC000990765734 1194116961 /nfs/dbraw/zinc/11/69/61/1194116961.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@H+]1C ZINC000990765734 1194116967 /nfs/dbraw/zinc/11/69/67/1194116967.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 1 362.478 0.062 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076046608 1194273046 /nfs/dbraw/zinc/27/30/46/1194273046.db2.gz CIFNZBLWORKSKR-WMLDXEAASA-N 2 1 351.414 0.772 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076048129 1194275055 /nfs/dbraw/zinc/27/50/55/1194275055.db2.gz TXYLMXZIHGRAAP-HRCADAONSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076048129 1194275061 /nfs/dbraw/zinc/27/50/61/1194275061.db2.gz TXYLMXZIHGRAAP-HRCADAONSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)n1 ZINC001076107368 1194309229 /nfs/dbraw/zinc/30/92/29/1194309229.db2.gz SOGMOGVPNCNCMR-DLBZAZTESA-N 2 1 357.462 0.714 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161202 1194335884 /nfs/dbraw/zinc/33/58/84/1194335884.db2.gz ITRYNKIJKLOXGO-XYJFISCASA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161202 1194335889 /nfs/dbraw/zinc/33/58/89/1194335889.db2.gz ITRYNKIJKLOXGO-XYJFISCASA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161202 1194335892 /nfs/dbraw/zinc/33/58/92/1194335892.db2.gz ITRYNKIJKLOXGO-XYJFISCASA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161202 1194335895 /nfs/dbraw/zinc/33/58/95/1194335895.db2.gz ITRYNKIJKLOXGO-XYJFISCASA-N 2 1 360.506 0.970 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001076241682 1194363064 /nfs/dbraw/zinc/36/30/64/1194363064.db2.gz XSJCJVWOOSDRGB-JCGIZDLHSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001076241682 1194363069 /nfs/dbraw/zinc/36/30/69/1194363069.db2.gz XSJCJVWOOSDRGB-JCGIZDLHSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001076241682 1194363074 /nfs/dbraw/zinc/36/30/74/1194363074.db2.gz XSJCJVWOOSDRGB-JCGIZDLHSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]31)C2 ZINC001076245597 1194372140 /nfs/dbraw/zinc/37/21/40/1194372140.db2.gz JSYQBIMPOFGRHH-SOLBZPMBSA-N 2 1 369.473 0.578 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]31)C2 ZINC001076245597 1194372144 /nfs/dbraw/zinc/37/21/44/1194372144.db2.gz JSYQBIMPOFGRHH-SOLBZPMBSA-N 2 1 369.473 0.578 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001218757859 1224212583 /nfs/dbraw/zinc/21/25/83/1224212583.db2.gz JXVYNJBWAMDGDW-DLBZAZTESA-N 2 1 365.478 0.006 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001076323830 1194396688 /nfs/dbraw/zinc/39/66/88/1194396688.db2.gz HGZBMKGCDNLMAE-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276795499 1224219898 /nfs/dbraw/zinc/21/98/98/1224219898.db2.gz LGIXMJFMPXOYLE-VQIMIIECSA-N 2 1 363.506 0.557 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076603983 1194588777 /nfs/dbraw/zinc/58/87/77/1194588777.db2.gz GRVLYRNFOBSJLB-ZWKOTPCHSA-N 2 1 358.486 0.983 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076603983 1194588780 /nfs/dbraw/zinc/58/87/80/1194588780.db2.gz GRVLYRNFOBSJLB-ZWKOTPCHSA-N 2 1 358.486 0.983 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001076604170 1194588853 /nfs/dbraw/zinc/58/88/53/1194588853.db2.gz QCGNYUYEWATGEP-OKZBNKHCSA-N 2 1 356.470 0.783 20 0 FCADMP CCN1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2F)CC1 ZINC001218889035 1224249725 /nfs/dbraw/zinc/24/97/25/1224249725.db2.gz IXRWJZZTKPAOTO-HNNXBMFYSA-N 2 1 361.465 0.715 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077003085 1195138486 /nfs/dbraw/zinc/13/84/86/1195138486.db2.gz RPLPMJCSVQQBCK-BMGDILEWSA-N 2 1 371.441 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077003085 1195138491 /nfs/dbraw/zinc/13/84/91/1195138491.db2.gz RPLPMJCSVQQBCK-BMGDILEWSA-N 2 1 371.441 0.226 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077023831 1195160094 /nfs/dbraw/zinc/16/00/94/1195160094.db2.gz VGPSXTZTYRNRIE-BNEJOLLZSA-N 2 1 374.485 0.048 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077023831 1195160100 /nfs/dbraw/zinc/16/01/00/1195160100.db2.gz VGPSXTZTYRNRIE-BNEJOLLZSA-N 2 1 374.485 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001077023831 1195160105 /nfs/dbraw/zinc/16/01/05/1195160105.db2.gz VGPSXTZTYRNRIE-BNEJOLLZSA-N 2 1 374.485 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001077023831 1195160109 /nfs/dbraw/zinc/16/01/09/1195160109.db2.gz VGPSXTZTYRNRIE-BNEJOLLZSA-N 2 1 374.485 0.048 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091201 1195209072 /nfs/dbraw/zinc/20/90/72/1195209072.db2.gz PZFASMQVJBZMIZ-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091201 1195209078 /nfs/dbraw/zinc/20/90/78/1195209078.db2.gz PZFASMQVJBZMIZ-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091201 1195209085 /nfs/dbraw/zinc/20/90/85/1195209085.db2.gz PZFASMQVJBZMIZ-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091201 1195209093 /nfs/dbraw/zinc/20/90/93/1195209093.db2.gz PZFASMQVJBZMIZ-KZNAEPCWSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1ccc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565418 1195268672 /nfs/dbraw/zinc/26/86/72/1195268672.db2.gz RFKZCRYLKIFDDJ-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565418 1195268676 /nfs/dbraw/zinc/26/86/76/1195268676.db2.gz RFKZCRYLKIFDDJ-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565418 1195268681 /nfs/dbraw/zinc/26/86/81/1195268681.db2.gz RFKZCRYLKIFDDJ-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565418 1195268687 /nfs/dbraw/zinc/26/86/87/1195268687.db2.gz RFKZCRYLKIFDDJ-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970489 1224274689 /nfs/dbraw/zinc/27/46/89/1224274689.db2.gz HTEWZAKWZYECDU-ZWKOTPCHSA-N 2 1 362.474 0.380 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970489 1224274698 /nfs/dbraw/zinc/27/46/98/1224274698.db2.gz HTEWZAKWZYECDU-ZWKOTPCHSA-N 2 1 362.474 0.380 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276166 1195376259 /nfs/dbraw/zinc/37/62/59/1195376259.db2.gz PCDHRUBKSRJJIF-CGTJXYLNSA-N 2 1 358.442 0.987 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276323 1195377436 /nfs/dbraw/zinc/37/74/36/1195377436.db2.gz XOFAHLUSJXQGSP-QZTJIDSGSA-N 2 1 368.441 0.394 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366333 1195466263 /nfs/dbraw/zinc/46/62/63/1195466263.db2.gz BTNYDEQFKAWUSI-QZTJIDSGSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366686 1195466956 /nfs/dbraw/zinc/46/69/56/1195466956.db2.gz VPAXHQADRCZONV-KBAYOESNSA-N 2 1 371.441 0.611 20 0 FCADMP CCCC[C@@H](C(N)=O)N1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004272 1224285280 /nfs/dbraw/zinc/28/52/80/1224285280.db2.gz DJVJJNOWIVNBNN-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004272 1224285283 /nfs/dbraw/zinc/28/52/83/1224285283.db2.gz DJVJJNOWIVNBNN-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004272 1224285289 /nfs/dbraw/zinc/28/52/89/1224285289.db2.gz DJVJJNOWIVNBNN-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004272 1224285293 /nfs/dbraw/zinc/28/52/93/1224285293.db2.gz DJVJJNOWIVNBNN-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004272 1224285299 /nfs/dbraw/zinc/28/52/99/1224285299.db2.gz DJVJJNOWIVNBNN-YESZJQIVSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006220 1224286850 /nfs/dbraw/zinc/28/68/50/1224286850.db2.gz COOZUNSUGDTFKM-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006220 1224286855 /nfs/dbraw/zinc/28/68/55/1224286855.db2.gz COOZUNSUGDTFKM-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006220 1224286857 /nfs/dbraw/zinc/28/68/57/1224286857.db2.gz COOZUNSUGDTFKM-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219006220 1224286863 /nfs/dbraw/zinc/28/68/63/1224286863.db2.gz COOZUNSUGDTFKM-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2ccnc2C1 ZINC001083583212 1195537394 /nfs/dbraw/zinc/53/73/94/1195537394.db2.gz XMLLMXGVOIZRCW-KSZLIROESA-N 2 1 354.454 0.850 20 0 FCADMP O=C(N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2ccnc2C1 ZINC001083583212 1195537398 /nfs/dbraw/zinc/53/73/98/1195537398.db2.gz XMLLMXGVOIZRCW-KSZLIROESA-N 2 1 354.454 0.850 20 0 FCADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)CC2)oc1C ZINC000905102807 1195575616 /nfs/dbraw/zinc/57/56/16/1195575616.db2.gz HRVNZZLCHLTVRQ-HKUYNNGSSA-N 2 1 367.490 0.995 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000906861638 1195670156 /nfs/dbraw/zinc/67/01/56/1195670156.db2.gz XOHJAHPDKYUJQE-UHFFFAOYSA-N 2 1 374.529 0.753 20 0 FCADMP O=C(CNC(=O)c1cc(C[NH+]2CCCC2)on1)NCC[NH+]1CCCCC1 ZINC000909315318 1195793608 /nfs/dbraw/zinc/79/36/08/1195793608.db2.gz LUMGBJXOEWSBPD-UHFFFAOYSA-N 2 1 363.462 0.602 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000910829193 1195850678 /nfs/dbraw/zinc/85/06/78/1195850678.db2.gz OLQWIWPLNGTXBF-RDJZCZTQSA-N 2 1 359.474 0.671 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000910830765 1195850819 /nfs/dbraw/zinc/85/08/19/1195850819.db2.gz UEUCGDDZXHKLJX-INIZCTEOSA-N 2 1 371.485 0.815 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000910831220 1195851083 /nfs/dbraw/zinc/85/10/83/1195851083.db2.gz WUYAUBOXDKZXRE-OXJNMPFZSA-N 2 1 371.485 0.673 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)C1CC1 ZINC000911052211 1195878835 /nfs/dbraw/zinc/87/88/35/1195878835.db2.gz BPZXZKQFIMUIHV-UHFFFAOYSA-N 2 1 358.486 0.716 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@@H](C)O1 ZINC000911054275 1195879220 /nfs/dbraw/zinc/87/92/20/1195879220.db2.gz UAFQDOGZDOKFGW-OAGGEKHMSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911165214 1195903110 /nfs/dbraw/zinc/90/31/10/1195903110.db2.gz OVWSTRHODAQBDI-CYGHRXIMSA-N 2 1 358.486 0.819 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000911190318 1195906640 /nfs/dbraw/zinc/90/66/40/1195906640.db2.gz HUKOKEOXFABALS-UHFFFAOYSA-N 2 1 365.566 0.498 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644759 1195934559 /nfs/dbraw/zinc/93/45/59/1195934559.db2.gz URBZVRUGHLYDDX-MOPGFXCFSA-N 2 1 366.421 0.802 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644759 1195934564 /nfs/dbraw/zinc/93/45/64/1195934564.db2.gz URBZVRUGHLYDDX-MOPGFXCFSA-N 2 1 366.421 0.802 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318375 1195938199 /nfs/dbraw/zinc/93/81/99/1195938199.db2.gz GHNNNSWCRVCWME-DLBZAZTESA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318375 1195938205 /nfs/dbraw/zinc/93/82/05/1195938205.db2.gz GHNNNSWCRVCWME-DLBZAZTESA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318375 1195938208 /nfs/dbraw/zinc/93/82/08/1195938208.db2.gz GHNNNSWCRVCWME-DLBZAZTESA-N 2 1 368.522 0.658 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044097 1224313993 /nfs/dbraw/zinc/31/39/93/1224313993.db2.gz PPRIBUPBXGQZSE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044097 1224314003 /nfs/dbraw/zinc/31/40/03/1224314003.db2.gz PPRIBUPBXGQZSE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044097 1224314013 /nfs/dbraw/zinc/31/40/13/1224314013.db2.gz PPRIBUPBXGQZSE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044097 1224314023 /nfs/dbraw/zinc/31/40/23/1224314023.db2.gz PPRIBUPBXGQZSE-KSZLIROESA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054621 1224323840 /nfs/dbraw/zinc/32/38/40/1224323840.db2.gz HCGNQDFZCYLKLH-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054621 1224323851 /nfs/dbraw/zinc/32/38/51/1224323851.db2.gz HCGNQDFZCYLKLH-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054621 1224323858 /nfs/dbraw/zinc/32/38/58/1224323858.db2.gz HCGNQDFZCYLKLH-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001219054960 1224324673 /nfs/dbraw/zinc/32/46/73/1224324673.db2.gz PRHVHESYGJGAEO-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001219054960 1224324681 /nfs/dbraw/zinc/32/46/81/1224324681.db2.gz PRHVHESYGJGAEO-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001219054960 1224324689 /nfs/dbraw/zinc/32/46/89/1224324689.db2.gz PRHVHESYGJGAEO-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001219054960 1224324698 /nfs/dbraw/zinc/32/46/98/1224324698.db2.gz PRHVHESYGJGAEO-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219066138 1224334069 /nfs/dbraw/zinc/33/40/69/1224334069.db2.gz XOJGKGBNFJMHLD-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219066138 1224334081 /nfs/dbraw/zinc/33/40/81/1224334081.db2.gz XOJGKGBNFJMHLD-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083647431 1196313918 /nfs/dbraw/zinc/31/39/18/1196313918.db2.gz CMQKSDBIENSKIC-AEFFLSMTSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083647431 1196313921 /nfs/dbraw/zinc/31/39/21/1196313921.db2.gz CMQKSDBIENSKIC-AEFFLSMTSA-N 2 1 362.474 0.350 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360122 1196320632 /nfs/dbraw/zinc/32/06/32/1196320632.db2.gz MCTZSMGUIQKAET-MTNOOBJLSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360122 1196320638 /nfs/dbraw/zinc/32/06/38/1196320638.db2.gz MCTZSMGUIQKAET-MTNOOBJLSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)O1 ZINC000991360122 1196320643 /nfs/dbraw/zinc/32/06/43/1196320643.db2.gz MCTZSMGUIQKAET-MTNOOBJLSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCn2cccn2)CC3)O1 ZINC000991360122 1196320647 /nfs/dbraw/zinc/32/06/47/1196320647.db2.gz MCTZSMGUIQKAET-MTNOOBJLSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360124 1196320917 /nfs/dbraw/zinc/32/09/17/1196320917.db2.gz MCTZSMGUIQKAET-VXNCWWDNSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360124 1196320920 /nfs/dbraw/zinc/32/09/20/1196320920.db2.gz MCTZSMGUIQKAET-VXNCWWDNSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCn2cccn2)CC3)O1 ZINC000991360124 1196320923 /nfs/dbraw/zinc/32/09/23/1196320923.db2.gz MCTZSMGUIQKAET-VXNCWWDNSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCn2cccn2)CC3)O1 ZINC000991360124 1196320925 /nfs/dbraw/zinc/32/09/25/1196320925.db2.gz MCTZSMGUIQKAET-VXNCWWDNSA-N 2 1 361.490 0.715 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N(CCO)C3CC[NH+](C)CC3)cc2)CC1 ZINC000911939257 1196322635 /nfs/dbraw/zinc/32/26/35/1196322635.db2.gz SMCCAMXAPIZHTP-UHFFFAOYSA-N 2 1 374.529 0.963 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654907 1196350671 /nfs/dbraw/zinc/35/06/71/1196350671.db2.gz LVUJLMRTAHRFEP-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654907 1196350675 /nfs/dbraw/zinc/35/06/75/1196350675.db2.gz LVUJLMRTAHRFEP-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654907 1196350679 /nfs/dbraw/zinc/35/06/79/1196350679.db2.gz LVUJLMRTAHRFEP-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083668886 1196392353 /nfs/dbraw/zinc/39/23/53/1196392353.db2.gz KUQNFDIRYCIXFL-LZQZEXGQSA-N 2 1 361.486 0.602 20 0 FCADMP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000592984600 1196602777 /nfs/dbraw/zinc/60/27/77/1196602777.db2.gz QZWISJCYTZTUHW-GOSISDBHSA-N 2 1 374.485 0.168 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(=O)OC ZINC000593736954 1196652227 /nfs/dbraw/zinc/65/22/27/1196652227.db2.gz ONWJGZIGKVFRHU-UJHHCITNSA-N 2 1 369.506 0.909 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000594077374 1196690158 /nfs/dbraw/zinc/69/01/58/1196690158.db2.gz WCVBASVEKLPAFL-SFHVURJKSA-N 2 1 373.501 0.684 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000594077374 1196690171 /nfs/dbraw/zinc/69/01/71/1196690171.db2.gz WCVBASVEKLPAFL-SFHVURJKSA-N 2 1 373.501 0.684 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000594077374 1196690179 /nfs/dbraw/zinc/69/01/79/1196690179.db2.gz WCVBASVEKLPAFL-SFHVURJKSA-N 2 1 373.501 0.684 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739289 1196736635 /nfs/dbraw/zinc/73/66/35/1196736635.db2.gz TUTXHNDXCHZOQM-DLBZAZTESA-N 2 1 372.469 0.432 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739289 1196736644 /nfs/dbraw/zinc/73/66/44/1196736644.db2.gz TUTXHNDXCHZOQM-DLBZAZTESA-N 2 1 372.469 0.432 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105978266 1196763273 /nfs/dbraw/zinc/76/32/73/1196763273.db2.gz GKHWTRKKMUKFOP-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105978266 1196763281 /nfs/dbraw/zinc/76/32/81/1196763281.db2.gz GKHWTRKKMUKFOP-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc2c(c1)nnn2C ZINC001089037727 1196872040 /nfs/dbraw/zinc/87/20/40/1196872040.db2.gz PAKYOIOVPADHSC-KBMXLJTQSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc2c(c1)nnn2C ZINC001089037727 1196872041 /nfs/dbraw/zinc/87/20/41/1196872041.db2.gz PAKYOIOVPADHSC-KBMXLJTQSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc2c(c1)nnn2C ZINC001089037727 1196872045 /nfs/dbraw/zinc/87/20/45/1196872045.db2.gz PAKYOIOVPADHSC-KBMXLJTQSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C2)CC[N@H+]1C ZINC000992086709 1196944531 /nfs/dbraw/zinc/94/45/31/1196944531.db2.gz GXEDYSUOLYWDRK-CZUORRHYSA-N 2 1 368.441 0.548 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)CC[N@H+]1C ZINC000992320866 1197066691 /nfs/dbraw/zinc/06/66/91/1197066691.db2.gz YJWJKRXOEKPQEC-MUKKUYKPSA-N 2 1 368.497 0.866 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC[NH+]1C ZINC000992320866 1197066693 /nfs/dbraw/zinc/06/66/93/1197066693.db2.gz YJWJKRXOEKPQEC-MUKKUYKPSA-N 2 1 368.497 0.866 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)CC[NH+]1C ZINC000992320866 1197066697 /nfs/dbraw/zinc/06/66/97/1197066697.db2.gz YJWJKRXOEKPQEC-MUKKUYKPSA-N 2 1 368.497 0.866 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696391 1197103611 /nfs/dbraw/zinc/10/36/11/1197103611.db2.gz XWDRTNDWUMUYHH-MSOLQXFVSA-N 2 1 361.486 0.715 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696391 1197103614 /nfs/dbraw/zinc/10/36/14/1197103614.db2.gz XWDRTNDWUMUYHH-MSOLQXFVSA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000913680590 1197106838 /nfs/dbraw/zinc/10/68/38/1197106838.db2.gz VYHQFIOBYYUYPL-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925399369 1197130701 /nfs/dbraw/zinc/13/07/01/1197130701.db2.gz KXDBFDYYMDBGAI-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)[C@@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)N1CCOCC1 ZINC000913884089 1197151387 /nfs/dbraw/zinc/15/13/87/1197151387.db2.gz JQFQIOCCMKOOJM-SJORKVTESA-N 2 1 359.536 0.749 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4ncc[nH]4)C[C@]3(C)C2)C1 ZINC000992847927 1197555156 /nfs/dbraw/zinc/55/51/56/1197555156.db2.gz BBGGILWBICPJPC-ZRGWGRIASA-N 2 1 359.474 0.601 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000992935833 1197615133 /nfs/dbraw/zinc/61/51/33/1197615133.db2.gz SOQRGNYZSNFKMR-FRQCXROJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000992935833 1197615138 /nfs/dbraw/zinc/61/51/38/1197615138.db2.gz SOQRGNYZSNFKMR-FRQCXROJSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)O1 ZINC001085242301 1197739370 /nfs/dbraw/zinc/73/93/70/1197739370.db2.gz LWLIXEOKQWZXHG-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)O1 ZINC001085242301 1197739373 /nfs/dbraw/zinc/73/93/73/1197739373.db2.gz LWLIXEOKQWZXHG-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743963 /nfs/dbraw/zinc/74/39/63/1197743963.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743970 /nfs/dbraw/zinc/74/39/70/1197743970.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743976 /nfs/dbraw/zinc/74/39/76/1197743976.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743982 /nfs/dbraw/zinc/74/39/82/1197743982.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743985 /nfs/dbraw/zinc/74/39/85/1197743985.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245822 1197780573 /nfs/dbraw/zinc/78/05/73/1197780573.db2.gz FBFJAIWODMZGLR-KURKYZTESA-N 2 1 365.522 0.922 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273317010 1197797283 /nfs/dbraw/zinc/79/72/83/1197797283.db2.gz ULVKLFYSOVLEJP-HOTGVXAUSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106272184 1197811840 /nfs/dbraw/zinc/81/18/40/1197811840.db2.gz UCUTVFYDVBEQPS-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085332372 1197825028 /nfs/dbraw/zinc/82/50/28/1197825028.db2.gz VBMFOINHEPKXQC-GVDBMIGSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083727359 1197833945 /nfs/dbraw/zinc/83/39/45/1197833945.db2.gz YZXMFHHCSLTNFP-NLNMYJFZSA-N 2 1 361.486 0.612 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083727359 1197833947 /nfs/dbraw/zinc/83/39/47/1197833947.db2.gz YZXMFHHCSLTNFP-NLNMYJFZSA-N 2 1 361.486 0.612 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083727359 1197833949 /nfs/dbraw/zinc/83/39/49/1197833949.db2.gz YZXMFHHCSLTNFP-NLNMYJFZSA-N 2 1 361.486 0.612 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(N)=O ZINC001085376960 1197851319 /nfs/dbraw/zinc/85/13/19/1197851319.db2.gz BJDKQSMBZVVJRH-DAXOMENPSA-N 2 1 356.430 0.772 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106310748 1197859446 /nfs/dbraw/zinc/85/94/46/1197859446.db2.gz WTPIHVRIHSCNKM-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106310748 1197859447 /nfs/dbraw/zinc/85/94/47/1197859447.db2.gz WTPIHVRIHSCNKM-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000761978854 1197879011 /nfs/dbraw/zinc/87/90/11/1197879011.db2.gz AHJADEFQMBPMJT-RBUKOAKNSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000761978854 1197879015 /nfs/dbraw/zinc/87/90/15/1197879015.db2.gz AHJADEFQMBPMJT-RBUKOAKNSA-N 2 1 361.486 0.708 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085429175 1197895885 /nfs/dbraw/zinc/89/58/85/1197895885.db2.gz IVZWQTLZMHTHIS-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085429175 1197895887 /nfs/dbraw/zinc/89/58/87/1197895887.db2.gz IVZWQTLZMHTHIS-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106433336 1197923413 /nfs/dbraw/zinc/92/34/13/1197923413.db2.gz HBQVARVLDBKDRT-TZMCWYRMSA-N 2 1 360.418 0.502 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716147 1197946831 /nfs/dbraw/zinc/94/68/31/1197946831.db2.gz KIQXYZOUGXPBND-QUCCMNQESA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716147 1197946840 /nfs/dbraw/zinc/94/68/40/1197946840.db2.gz KIQXYZOUGXPBND-QUCCMNQESA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716147 1197946849 /nfs/dbraw/zinc/94/68/49/1197946849.db2.gz KIQXYZOUGXPBND-QUCCMNQESA-N 2 1 374.529 0.479 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106577326 1198021150 /nfs/dbraw/zinc/02/11/50/1198021150.db2.gz HHQVAPSMSQUXRQ-BFYDXBDKSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001106577326 1198021161 /nfs/dbraw/zinc/02/11/61/1198021161.db2.gz HHQVAPSMSQUXRQ-BFYDXBDKSA-N 2 1 366.506 0.058 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129322815 1198025138 /nfs/dbraw/zinc/02/51/38/1198025138.db2.gz YTMRVZDRFMFELL-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129322815 1198025149 /nfs/dbraw/zinc/02/51/49/1198025149.db2.gz YTMRVZDRFMFELL-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001086090682 1198156910 /nfs/dbraw/zinc/15/69/10/1198156910.db2.gz MEYRNKPQFUYSAR-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2)O1 ZINC001086120330 1198179038 /nfs/dbraw/zinc/17/90/38/1198179038.db2.gz VFPDKZAJFMIIDB-QWXYKEQDSA-N 2 1 361.486 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2)O1 ZINC001086120330 1198179050 /nfs/dbraw/zinc/17/90/50/1198179050.db2.gz VFPDKZAJFMIIDB-QWXYKEQDSA-N 2 1 361.486 0.924 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001006289096 1198252922 /nfs/dbraw/zinc/25/29/22/1198252922.db2.gz PQCAUWQSDUNAEH-FPCVCCKLSA-N 2 1 359.474 0.932 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086205311 1198254027 /nfs/dbraw/zinc/25/40/27/1198254027.db2.gz KVDIKPOZEWXKCF-TVNOUSRMSA-N 2 1 358.486 0.690 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001066458540 1198275673 /nfs/dbraw/zinc/27/56/73/1198275673.db2.gz IDHMFEVVRLXTOI-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001066458540 1198275682 /nfs/dbraw/zinc/27/56/82/1198275682.db2.gz IDHMFEVVRLXTOI-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743980424 1198302012 /nfs/dbraw/zinc/30/20/12/1198302012.db2.gz FUXXWUPVJREZHA-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001086371096 1198332830 /nfs/dbraw/zinc/33/28/30/1198332830.db2.gz PWKVWGCNZLOTRV-YHUYYLMFSA-N 2 1 366.485 0.962 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]1COC(C)(C)[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503344 1224489820 /nfs/dbraw/zinc/48/98/20/1224489820.db2.gz HHYNJWAEMPUFQQ-SCLBCKFNSA-N 2 1 360.414 0.541 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168813182 1199035654 /nfs/dbraw/zinc/03/56/54/1199035654.db2.gz UQTXTPGMXLSHQQ-AGIUHOORSA-N 2 1 371.482 0.779 20 0 FCADMP CC(=O)N1CCC[C@@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)C1 ZINC001169605103 1199080558 /nfs/dbraw/zinc/08/05/58/1199080558.db2.gz IYTCQAUCHWWELP-GOSISDBHSA-N 2 1 360.502 0.821 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000766959094 1199105066 /nfs/dbraw/zinc/10/50/66/1199105066.db2.gz CTKCOOSEIKLNMW-QZTJIDSGSA-N 2 1 363.506 0.909 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766959095 1199105709 /nfs/dbraw/zinc/10/57/09/1199105709.db2.gz CTKCOOSEIKLNMW-ROUUACIJSA-N 2 1 363.506 0.909 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370394 1199129697 /nfs/dbraw/zinc/12/96/97/1199129697.db2.gz RMNOETVQPPCVHD-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370394 1199129702 /nfs/dbraw/zinc/12/97/02/1199129702.db2.gz RMNOETVQPPCVHD-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370394 1199129707 /nfs/dbraw/zinc/12/97/07/1199129707.db2.gz RMNOETVQPPCVHD-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129369693 1199130850 /nfs/dbraw/zinc/13/08/50/1199130850.db2.gz DEXATMVFFAOVSV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129369693 1199130853 /nfs/dbraw/zinc/13/08/53/1199130853.db2.gz DEXATMVFFAOVSV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129369693 1199130857 /nfs/dbraw/zinc/13/08/57/1199130857.db2.gz DEXATMVFFAOVSV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129369693 1199130858 /nfs/dbraw/zinc/13/08/58/1199130858.db2.gz DEXATMVFFAOVSV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001219655942 1224545246 /nfs/dbraw/zinc/54/52/46/1224545246.db2.gz BXOLRZYIOQUEJG-OWYHZJEWSA-N 2 1 361.486 0.705 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001219655942 1224545253 /nfs/dbraw/zinc/54/52/53/1224545253.db2.gz BXOLRZYIOQUEJG-OWYHZJEWSA-N 2 1 361.486 0.705 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001219655942 1224545258 /nfs/dbraw/zinc/54/52/58/1224545258.db2.gz BXOLRZYIOQUEJG-OWYHZJEWSA-N 2 1 361.486 0.705 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219703184 1224566667 /nfs/dbraw/zinc/56/66/67/1224566667.db2.gz DGOKZYCTWOWRPC-GOSISDBHSA-N 3 1 358.486 0.401 20 0 FCADMP CN1C[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219703184 1224566673 /nfs/dbraw/zinc/56/66/73/1224566673.db2.gz DGOKZYCTWOWRPC-GOSISDBHSA-N 2 1 358.486 0.401 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001219723388 1224576369 /nfs/dbraw/zinc/57/63/69/1224576369.db2.gz LREVWLSCOIEQAZ-MOPGFXCFSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001219723388 1224576377 /nfs/dbraw/zinc/57/63/77/1224576377.db2.gz LREVWLSCOIEQAZ-MOPGFXCFSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001219723388 1224576384 /nfs/dbraw/zinc/57/63/84/1224576384.db2.gz LREVWLSCOIEQAZ-MOPGFXCFSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCN1 ZINC001219723280 1224576677 /nfs/dbraw/zinc/57/66/77/1224576677.db2.gz KMRLLAFTBATYOK-MSOLQXFVSA-N 2 1 358.486 0.550 20 0 FCADMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COC[NH2+]1 ZINC001219723280 1224576683 /nfs/dbraw/zinc/57/66/83/1224576683.db2.gz KMRLLAFTBATYOK-MSOLQXFVSA-N 3 1 358.486 0.550 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COC[NH2+]1 ZINC001219723280 1224576690 /nfs/dbraw/zinc/57/66/90/1224576690.db2.gz KMRLLAFTBATYOK-MSOLQXFVSA-N 3 1 358.486 0.550 20 0 FCADMP [NH3+][C@H](CO)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726443 1224579256 /nfs/dbraw/zinc/57/92/56/1224579256.db2.gz JJSMLNGRQIYMOE-MSOLQXFVSA-N 3 1 360.502 0.314 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726493 1224579921 /nfs/dbraw/zinc/57/99/21/1224579921.db2.gz KCUAEBYHMZUNHC-LJQANCHMSA-N 4 1 373.545 0.543 20 0 FCADMP [NH3+]CCCNCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726493 1224579931 /nfs/dbraw/zinc/57/99/31/1224579931.db2.gz KCUAEBYHMZUNHC-LJQANCHMSA-N 3 1 373.545 0.543 20 0 FCADMP [NH3+]CCCNCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726493 1224579944 /nfs/dbraw/zinc/57/99/44/1224579944.db2.gz KCUAEBYHMZUNHC-LJQANCHMSA-N 3 1 373.545 0.543 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C2)cn1 ZINC001219732333 1224582614 /nfs/dbraw/zinc/58/26/14/1224582614.db2.gz SGCOKOJWBHNQPV-BBWFWOEESA-N 2 1 369.485 0.287 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C2)cn1 ZINC001219732333 1224582617 /nfs/dbraw/zinc/58/26/17/1224582617.db2.gz SGCOKOJWBHNQPV-BBWFWOEESA-N 2 1 369.485 0.287 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293795 1200151904 /nfs/dbraw/zinc/15/19/04/1200151904.db2.gz HFLLUOIEDWCZNT-BDXSIMOUSA-N 2 1 362.518 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293795 1200151909 /nfs/dbraw/zinc/15/19/09/1200151909.db2.gz HFLLUOIEDWCZNT-BDXSIMOUSA-N 2 1 362.518 0.917 20 0 FCADMP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765809 1224602552 /nfs/dbraw/zinc/60/25/52/1224602552.db2.gz CSRBOCIVKDRLDS-JLSDUUJJSA-N 2 1 353.470 0.515 20 0 FCADMP [NH3+][C@@H](Cc1ccc2ccccc2n1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765809 1224602559 /nfs/dbraw/zinc/60/25/59/1224602559.db2.gz CSRBOCIVKDRLDS-JLSDUUJJSA-N 2 1 353.470 0.515 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001109512526 1200353238 /nfs/dbraw/zinc/35/32/38/1200353238.db2.gz MBOPLJOYLDWZSD-NJAFHUGGSA-N 2 1 371.441 0.611 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528694 1200365962 /nfs/dbraw/zinc/36/59/62/1200365962.db2.gz FUIXZEADGHEGCA-OAOQPFQOSA-N 2 1 362.474 0.491 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109528694 1200365971 /nfs/dbraw/zinc/36/59/71/1200365971.db2.gz FUIXZEADGHEGCA-OAOQPFQOSA-N 2 1 362.474 0.491 20 0 FCADMP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538504 1200371535 /nfs/dbraw/zinc/37/15/35/1200371535.db2.gz FQWFPFKVQAYHIQ-OWEAFNKSSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538504 1200371541 /nfs/dbraw/zinc/37/15/41/1200371541.db2.gz FQWFPFKVQAYHIQ-OWEAFNKSSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538504 1200371546 /nfs/dbraw/zinc/37/15/46/1200371546.db2.gz FQWFPFKVQAYHIQ-OWEAFNKSSA-N 2 1 363.502 0.996 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219795685 1224615670 /nfs/dbraw/zinc/61/56/70/1224615670.db2.gz DQOFXNIIWAMQKY-LJQANCHMSA-N 2 1 363.550 0.393 20 0 FCADMP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@@H]1CC1(F)F ZINC001109847892 1200560287 /nfs/dbraw/zinc/56/02/87/1200560287.db2.gz MRAUFKCHJOPNKY-FXUDXRNXSA-N 2 1 373.444 0.854 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219803065 1224622335 /nfs/dbraw/zinc/62/23/35/1224622335.db2.gz JUXJZDZBVLLBOD-QAPCUYQASA-N 2 1 368.441 0.099 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219804138 1224623072 /nfs/dbraw/zinc/62/30/72/1224623072.db2.gz NPWDEALLPSEINJ-QYZOEREBSA-N 2 1 360.502 0.754 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804337 1224623930 /nfs/dbraw/zinc/62/39/30/1224623930.db2.gz SOVUCZFGOGBWOC-NEWSRXKRSA-N 2 1 360.502 0.754 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804337 1224623936 /nfs/dbraw/zinc/62/39/36/1224623936.db2.gz SOVUCZFGOGBWOC-NEWSRXKRSA-N 2 1 360.502 0.754 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982398 1200675904 /nfs/dbraw/zinc/67/59/04/1200675904.db2.gz BGXWVWGDQFCTLB-NCOADZHNSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982398 1200675907 /nfs/dbraw/zinc/67/59/07/1200675907.db2.gz BGXWVWGDQFCTLB-NCOADZHNSA-N 2 1 362.518 0.964 20 0 FCADMP [NH3+][C@@H](CCCc1ccccc1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806212 1224625247 /nfs/dbraw/zinc/62/52/47/1224625247.db2.gz OEDSUPAVDXLQSK-KRWDZBQOSA-N 2 1 369.469 0.703 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001110014683 1200705610 /nfs/dbraw/zinc/70/56/10/1200705610.db2.gz DCBMGAAXLQLMCI-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001110014683 1200705617 /nfs/dbraw/zinc/70/56/17/1200705617.db2.gz DCBMGAAXLQLMCI-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110014683 1200705628 /nfs/dbraw/zinc/70/56/28/1200705628.db2.gz DCBMGAAXLQLMCI-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110014683 1200705636 /nfs/dbraw/zinc/70/56/36/1200705636.db2.gz DCBMGAAXLQLMCI-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110019237 1200708552 /nfs/dbraw/zinc/70/85/52/1200708552.db2.gz MFQYZZHDMCFRMM-OWSLCNJRSA-N 2 1 363.506 0.697 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001110017823 1200709202 /nfs/dbraw/zinc/70/92/02/1200709202.db2.gz OCLYFJNUBGGBNL-OWSLCNJRSA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001110017823 1200709207 /nfs/dbraw/zinc/70/92/07/1200709207.db2.gz OCLYFJNUBGGBNL-OWSLCNJRSA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001110017823 1200709211 /nfs/dbraw/zinc/70/92/11/1200709211.db2.gz OCLYFJNUBGGBNL-OWSLCNJRSA-N 2 1 371.522 0.464 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219815895 1224631043 /nfs/dbraw/zinc/63/10/43/1224631043.db2.gz PVGARDKACFYFJQ-MOPGFXCFSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219815895 1224631046 /nfs/dbraw/zinc/63/10/46/1224631046.db2.gz PVGARDKACFYFJQ-MOPGFXCFSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)cc1 ZINC001219815895 1224631051 /nfs/dbraw/zinc/63/10/51/1224631051.db2.gz PVGARDKACFYFJQ-MOPGFXCFSA-N 2 1 361.486 0.883 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815923 1224631376 /nfs/dbraw/zinc/63/13/76/1224631376.db2.gz QVOFRJYIMKESDH-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815923 1224631383 /nfs/dbraw/zinc/63/13/83/1224631383.db2.gz QVOFRJYIMKESDH-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815923 1224631391 /nfs/dbraw/zinc/63/13/91/1224631391.db2.gz QVOFRJYIMKESDH-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O)C1CCC1 ZINC001219815923 1224631399 /nfs/dbraw/zinc/63/13/99/1224631399.db2.gz QVOFRJYIMKESDH-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112557705 1200784617 /nfs/dbraw/zinc/78/46/17/1200784617.db2.gz TWXXWVHAJOBKND-VKJFTORMSA-N 2 1 363.510 0.831 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112563337 1200796373 /nfs/dbraw/zinc/79/63/73/1200796373.db2.gz QVYKEPRXTQESBH-LNLFQRSKSA-N 2 1 360.506 0.838 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112586367 1200822630 /nfs/dbraw/zinc/82/26/30/1200822630.db2.gz WCUPNAOVTFOMJJ-DOXZYTNZSA-N 2 1 364.490 0.350 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787122458 1200864544 /nfs/dbraw/zinc/86/45/44/1200864544.db2.gz IAXPOZOKWGCGGP-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829901 1224641271 /nfs/dbraw/zinc/64/12/71/1224641271.db2.gz HQFCPASOKGLUDN-BBWFWOEESA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829901 1224641275 /nfs/dbraw/zinc/64/12/75/1224641275.db2.gz HQFCPASOKGLUDN-BBWFWOEESA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829901 1224641278 /nfs/dbraw/zinc/64/12/78/1224641278.db2.gz HQFCPASOKGLUDN-BBWFWOEESA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COCc3ccco3)CC2)CC[N@@H+]1C ZINC001112865879 1200954342 /nfs/dbraw/zinc/95/43/42/1200954342.db2.gz FJVYEYSKDQGYBI-SOLBZPMBSA-N 2 1 365.474 0.642 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COCc3ccco3)CC2)CC[N@H+]1C ZINC001112865879 1200954355 /nfs/dbraw/zinc/95/43/55/1200954355.db2.gz FJVYEYSKDQGYBI-SOLBZPMBSA-N 2 1 365.474 0.642 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[NH+](C)C ZINC001219842009 1224649860 /nfs/dbraw/zinc/64/98/60/1224649860.db2.gz GLNCOLRTAOBGOE-QYZOEREBSA-N 2 1 361.486 0.964 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[NH+](C)C ZINC001219842009 1224649866 /nfs/dbraw/zinc/64/98/66/1224649866.db2.gz GLNCOLRTAOBGOE-QYZOEREBSA-N 2 1 361.486 0.964 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588349 1201093263 /nfs/dbraw/zinc/09/32/63/1201093263.db2.gz QQMBTSZUHQUXGS-GBESFXJTSA-N 2 1 370.497 0.658 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588349 1201093273 /nfs/dbraw/zinc/09/32/73/1201093273.db2.gz QQMBTSZUHQUXGS-GBESFXJTSA-N 2 1 370.497 0.658 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O)[NH+](C)C ZINC001219846849 1224651213 /nfs/dbraw/zinc/65/12/13/1224651213.db2.gz GWGOIBTTXJOAPT-QYZOEREBSA-N 2 1 363.502 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000793698386 1201257895 /nfs/dbraw/zinc/25/78/95/1201257895.db2.gz JZIJYXWTHQJAHE-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793902488 1201274604 /nfs/dbraw/zinc/27/46/04/1201274604.db2.gz RFWGNZVEEVEKQN-QZWWFDLISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793902488 1201274607 /nfs/dbraw/zinc/27/46/07/1201274607.db2.gz RFWGNZVEEVEKQN-QZWWFDLISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793902488 1201274608 /nfs/dbraw/zinc/27/46/08/1201274608.db2.gz RFWGNZVEEVEKQN-QZWWFDLISA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400525 1201307057 /nfs/dbraw/zinc/30/70/57/1201307057.db2.gz RJBPFXWAFVOXMZ-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400525 1201307067 /nfs/dbraw/zinc/30/70/67/1201307067.db2.gz RJBPFXWAFVOXMZ-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400525 1201307072 /nfs/dbraw/zinc/30/70/72/1201307072.db2.gz RJBPFXWAFVOXMZ-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461650 1201326760 /nfs/dbraw/zinc/32/67/60/1201326760.db2.gz YJBQVKXLMFENIN-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461650 1201326763 /nfs/dbraw/zinc/32/67/63/1201326763.db2.gz YJBQVKXLMFENIN-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461650 1201326770 /nfs/dbraw/zinc/32/67/70/1201326770.db2.gz YJBQVKXLMFENIN-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461638 1201327871 /nfs/dbraw/zinc/32/78/71/1201327871.db2.gz YDZVKSWTDAJGME-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461638 1201327875 /nfs/dbraw/zinc/32/78/75/1201327875.db2.gz YDZVKSWTDAJGME-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129461638 1201327882 /nfs/dbraw/zinc/32/78/82/1201327882.db2.gz YDZVKSWTDAJGME-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001129884583 1201412664 /nfs/dbraw/zinc/41/26/64/1201412664.db2.gz OSJODPQQHCNNHY-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001129918508 1201439973 /nfs/dbraw/zinc/43/99/73/1201439973.db2.gz AZLXCWJPZVKAPQ-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902412 1224674802 /nfs/dbraw/zinc/67/48/02/1224674802.db2.gz AZWLTMQMPNZFOJ-KURKYZTESA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902412 1224674803 /nfs/dbraw/zinc/67/48/03/1224674803.db2.gz AZWLTMQMPNZFOJ-KURKYZTESA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902412 1224674806 /nfs/dbraw/zinc/67/48/06/1224674806.db2.gz AZWLTMQMPNZFOJ-KURKYZTESA-N 2 1 363.502 0.482 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130074962 1201494756 /nfs/dbraw/zinc/49/47/56/1201494756.db2.gz KBJANZYWRGYSRB-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130106939 1201502102 /nfs/dbraw/zinc/50/21/02/1201502102.db2.gz ARASTODJVJYPAL-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(C(=O)N(C)C)cc2)O1 ZINC001130182329 1201522547 /nfs/dbraw/zinc/52/25/47/1201522547.db2.gz CMOCCOCPHWOMLM-RHSMWYFYSA-N 2 1 362.474 0.313 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(C(=O)N(C)C)cc2)O1 ZINC001130182329 1201522552 /nfs/dbraw/zinc/52/25/52/1201522552.db2.gz CMOCCOCPHWOMLM-RHSMWYFYSA-N 2 1 362.474 0.313 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919641 1224680462 /nfs/dbraw/zinc/68/04/62/1224680462.db2.gz HAWDEUVXWYJERL-KURKYZTESA-N 2 1 362.474 0.638 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1ccccc1 ZINC001130184119 1201536205 /nfs/dbraw/zinc/53/62/05/1201536205.db2.gz BEDNBELYNBDCGA-HLLBOEOZSA-N 2 1 362.474 0.116 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1ccccc1 ZINC001130184119 1201536208 /nfs/dbraw/zinc/53/62/08/1201536208.db2.gz BEDNBELYNBDCGA-HLLBOEOZSA-N 2 1 362.474 0.116 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001130237911 1201560830 /nfs/dbraw/zinc/56/08/30/1201560830.db2.gz JLQPURKARPVUTG-KBPBESRZSA-N 2 1 364.494 0.635 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)[nH]1 ZINC001130237911 1201560832 /nfs/dbraw/zinc/56/08/32/1201560832.db2.gz JLQPURKARPVUTG-KBPBESRZSA-N 2 1 364.494 0.635 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC(C)(C)C2)[nH]1 ZINC001130237911 1201560834 /nfs/dbraw/zinc/56/08/34/1201560834.db2.gz JLQPURKARPVUTG-KBPBESRZSA-N 2 1 364.494 0.635 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999271 1224722455 /nfs/dbraw/zinc/72/24/55/1224722455.db2.gz OLUCFBRJPLBNJO-RTBURBONSA-N 3 1 359.518 0.690 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061609 1224741263 /nfs/dbraw/zinc/74/12/63/1224741263.db2.gz VDAFWBFYMJDRFJ-LZQZEXGQSA-N 2 1 363.502 0.727 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2NCCOCCOCC[NH3+])CC1 ZINC001170505788 1202723533 /nfs/dbraw/zinc/72/35/33/1202723533.db2.gz RQGYTCHPGKYLBA-UHFFFAOYSA-N 2 1 374.489 0.785 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001130596841 1202728490 /nfs/dbraw/zinc/72/84/90/1202728490.db2.gz SINYNDROMSGDEX-CWLKWCNXSA-N 2 1 363.506 0.417 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610625 1202729932 /nfs/dbraw/zinc/72/99/32/1202729932.db2.gz OKJFVWXHTBYGRL-XYJFISCASA-N 2 1 363.506 0.825 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712663 1202759507 /nfs/dbraw/zinc/75/95/07/1202759507.db2.gz GDHWSLMAHDUVGM-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)C1 ZINC001130731399 1202772315 /nfs/dbraw/zinc/77/23/15/1202772315.db2.gz BUWMNSADEAPLTQ-USXIJHARSA-N 2 1 367.469 0.384 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)C1 ZINC001130731399 1202772318 /nfs/dbraw/zinc/77/23/18/1202772318.db2.gz BUWMNSADEAPLTQ-USXIJHARSA-N 2 1 367.469 0.384 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000806813746 1202777132 /nfs/dbraw/zinc/77/71/32/1202777132.db2.gz ANQDYACOKKKXLM-BQFCYCMXSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H](F)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802490 1202803802 /nfs/dbraw/zinc/80/38/02/1202803802.db2.gz WIQIUZWUVZACKN-HZSPNIEDSA-N 2 1 370.473 0.930 20 0 FCADMP C[C@H](F)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802491 1202804010 /nfs/dbraw/zinc/80/40/10/1202804010.db2.gz WIQIUZWUVZACKN-MELADBBJSA-N 2 1 370.473 0.930 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130815841 1202806783 /nfs/dbraw/zinc/80/67/83/1202806783.db2.gz CFXVCGDVSCXBLS-HZSPNIEDSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130815841 1202806786 /nfs/dbraw/zinc/80/67/86/1202806786.db2.gz CFXVCGDVSCXBLS-HZSPNIEDSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130815841 1202806788 /nfs/dbraw/zinc/80/67/88/1202806788.db2.gz CFXVCGDVSCXBLS-HZSPNIEDSA-N 2 1 368.457 0.542 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220077936 1224747022 /nfs/dbraw/zinc/74/70/22/1224747022.db2.gz BXBZBYJGOYKAKE-PMPSAXMXSA-N 2 1 368.522 0.456 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220077936 1224747029 /nfs/dbraw/zinc/74/70/29/1224747029.db2.gz BXBZBYJGOYKAKE-PMPSAXMXSA-N 2 1 368.522 0.456 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003980 1202841223 /nfs/dbraw/zinc/84/12/23/1202841223.db2.gz VUUWORNPIHFGAC-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008168 1202842116 /nfs/dbraw/zinc/84/21/16/1202842116.db2.gz UYILAACSOOBTMP-USXIJHARSA-N 2 1 363.506 0.823 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCO ZINC001131012971 1202844964 /nfs/dbraw/zinc/84/49/64/1202844964.db2.gz VSEWKCKHLKUVGK-GVDBMIGSSA-N 2 1 363.506 0.561 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000807777887 1202850840 /nfs/dbraw/zinc/85/08/40/1202850840.db2.gz VJKDTNYBDDEIAF-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)n1 ZINC001131062081 1202854198 /nfs/dbraw/zinc/85/41/98/1202854198.db2.gz UWUVNRMUWVXPAW-HZPDHXFCSA-N 2 1 359.478 0.190 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121310 1202865930 /nfs/dbraw/zinc/86/59/30/1202865930.db2.gz RZPIHNJHMINNNF-FVQBIDKESA-N 2 1 360.462 0.544 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131132415 1202870052 /nfs/dbraw/zinc/87/00/52/1202870052.db2.gz JUEUMLLRFSKLTR-ZACQAIPSSA-N 2 1 363.506 0.561 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313332 1202887861 /nfs/dbraw/zinc/88/78/61/1202887861.db2.gz OJYPQZHSFGJNCV-OAGGEKHMSA-N 2 1 364.490 0.843 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313484 1202888080 /nfs/dbraw/zinc/88/80/80/1202888080.db2.gz UIIJTOVYFYTFAO-OAGGEKHMSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)O1 ZINC001131522703 1202911042 /nfs/dbraw/zinc/91/10/42/1202911042.db2.gz UZJSECCUEOKIMD-DDBAPUKQSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)O1 ZINC001131522703 1202911046 /nfs/dbraw/zinc/91/10/46/1202911046.db2.gz UZJSECCUEOKIMD-DDBAPUKQSA-N 2 1 369.506 0.074 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001131562579 1202914501 /nfs/dbraw/zinc/91/45/01/1202914501.db2.gz ZSLLFGHRWHAIPS-OGWOLHLISA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086712024 1202995727 /nfs/dbraw/zinc/99/57/27/1202995727.db2.gz MDJJISBBILIZDT-BBWFWOEESA-N 2 1 365.522 0.761 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)[C@@H](c2ccccc2)C1 ZINC001134121373 1203014817 /nfs/dbraw/zinc/01/48/17/1203014817.db2.gz ZKNYWWJLGGSMHO-MSOLQXFVSA-N 2 1 358.486 0.564 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126430 1203015641 /nfs/dbraw/zinc/01/56/41/1203015641.db2.gz QEDGCHLKCGRVHM-OLMNPRSZSA-N 2 1 358.486 0.705 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)no1 ZINC001086739600 1203065710 /nfs/dbraw/zinc/06/57/10/1203065710.db2.gz ICMIYBITATWATN-UONOGXRCSA-N 2 1 361.450 0.516 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086761562 1203083362 /nfs/dbraw/zinc/08/33/62/1203083362.db2.gz LIQLJTRWEFZJOS-WFEXCFOASA-N 2 1 361.446 0.307 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001170874137 1203109604 /nfs/dbraw/zinc/10/96/04/1203109604.db2.gz DCVIRYAPVJATMM-IAGOWNOFSA-N 2 1 360.458 0.637 20 0 FCADMP Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)CN2CCOCC2)C3)ncn1 ZINC001110107856 1203288996 /nfs/dbraw/zinc/28/89/96/1203288996.db2.gz XNLSVWWGJWXNDZ-OAOYMFHYSA-N 2 1 373.501 0.975 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000825292137 1203312949 /nfs/dbraw/zinc/31/29/49/1203312949.db2.gz FJIXDWIPPSXMEJ-ZWKOTPCHSA-N 2 1 358.486 0.564 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000825292137 1203312951 /nfs/dbraw/zinc/31/29/51/1203312951.db2.gz FJIXDWIPPSXMEJ-ZWKOTPCHSA-N 2 1 358.486 0.564 20 0 FCADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675378 1203323438 /nfs/dbraw/zinc/32/34/38/1203323438.db2.gz HRVWTBDQRJWZLQ-OALUTQOASA-N 2 1 360.502 0.376 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675378 1203323440 /nfs/dbraw/zinc/32/34/40/1203323440.db2.gz HRVWTBDQRJWZLQ-OALUTQOASA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143675378 1203323444 /nfs/dbraw/zinc/32/34/44/1203323444.db2.gz HRVWTBDQRJWZLQ-OALUTQOASA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143675378 1203323446 /nfs/dbraw/zinc/32/34/46/1203323446.db2.gz HRVWTBDQRJWZLQ-OALUTQOASA-N 2 1 360.502 0.376 20 0 FCADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2[C@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675377 1203324037 /nfs/dbraw/zinc/32/40/37/1203324037.db2.gz HRVWTBDQRJWZLQ-MOPGFXCFSA-N 2 1 360.502 0.376 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2[C@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675377 1203324040 /nfs/dbraw/zinc/32/40/40/1203324040.db2.gz HRVWTBDQRJWZLQ-MOPGFXCFSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143675377 1203324043 /nfs/dbraw/zinc/32/40/43/1203324043.db2.gz HRVWTBDQRJWZLQ-MOPGFXCFSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143675377 1203324047 /nfs/dbraw/zinc/32/40/47/1203324047.db2.gz HRVWTBDQRJWZLQ-MOPGFXCFSA-N 2 1 360.502 0.376 20 0 FCADMP COC(=O)[C@@]1(NC(=O)C2(N)CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228159 1224809698 /nfs/dbraw/zinc/80/96/98/1224809698.db2.gz BYSJUBLBTLCXSB-LJQANCHMSA-N 2 1 360.458 0.001 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)CC1 ZINC001220230504 1224811066 /nfs/dbraw/zinc/81/10/66/1224811066.db2.gz HXFLCPSNKINXOX-MSOLQXFVSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)CC1 ZINC001220230504 1224811067 /nfs/dbraw/zinc/81/10/67/1224811067.db2.gz HXFLCPSNKINXOX-MSOLQXFVSA-N 2 1 361.486 0.706 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220289906 1224821860 /nfs/dbraw/zinc/82/18/60/1224821860.db2.gz HCDFPBCWEDRJAE-FGTMMUONSA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220289906 1224821864 /nfs/dbraw/zinc/82/18/64/1224821864.db2.gz HCDFPBCWEDRJAE-FGTMMUONSA-N 2 1 367.465 0.952 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001091039262 1204453788 /nfs/dbraw/zinc/45/37/88/1204453788.db2.gz VYFYTWSOZPEYHV-PFSRBDOWSA-N 2 1 364.494 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001091039262 1204453793 /nfs/dbraw/zinc/45/37/93/1204453793.db2.gz VYFYTWSOZPEYHV-PFSRBDOWSA-N 2 1 364.494 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001091039262 1204453796 /nfs/dbraw/zinc/45/37/96/1204453796.db2.gz VYFYTWSOZPEYHV-PFSRBDOWSA-N 2 1 364.494 0.850 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001091095785 1204513488 /nfs/dbraw/zinc/51/34/88/1204513488.db2.gz CWPGHTXSWFRDAK-RDHHWEPZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001091095785 1204513492 /nfs/dbraw/zinc/51/34/92/1204513492.db2.gz CWPGHTXSWFRDAK-RDHHWEPZSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097024 1204514431 /nfs/dbraw/zinc/51/44/31/1204514431.db2.gz GXVYYWZMXYZRKW-AQEOSJORSA-N 2 1 363.506 0.703 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097024 1204514453 /nfs/dbraw/zinc/51/44/53/1204514453.db2.gz GXVYYWZMXYZRKW-AQEOSJORSA-N 2 1 363.506 0.703 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483054 1204524264 /nfs/dbraw/zinc/52/42/64/1204524264.db2.gz JUOXZKONYZBFNV-CABCVRRESA-N 2 1 371.526 0.193 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091195426 1204598400 /nfs/dbraw/zinc/59/84/00/1204598400.db2.gz URNSUZNLASZACY-BBWFWOEESA-N 2 1 361.490 0.888 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091195426 1204598404 /nfs/dbraw/zinc/59/84/04/1204598404.db2.gz URNSUZNLASZACY-BBWFWOEESA-N 2 1 361.490 0.888 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000846278918 1204608013 /nfs/dbraw/zinc/60/80/13/1204608013.db2.gz VQRKPJGMXRASBK-CALCHBBNSA-N 2 1 368.522 0.498 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000846278918 1204608019 /nfs/dbraw/zinc/60/80/19/1204608019.db2.gz VQRKPJGMXRASBK-CALCHBBNSA-N 2 1 368.522 0.498 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358664 1224842391 /nfs/dbraw/zinc/84/23/91/1224842391.db2.gz WBRSVJMGMSSQKY-LUKYLMHMSA-N 2 1 360.458 0.251 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3[nH+]cccc3N)CC2)c1 ZINC001144935270 1204660125 /nfs/dbraw/zinc/66/01/25/1204660125.db2.gz CHWOSFUYEJZUFN-KRWDZBQOSA-N 2 1 355.442 0.891 20 0 FCADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cc1=O ZINC001220359635 1224843814 /nfs/dbraw/zinc/84/38/14/1224843814.db2.gz ROOKDFIKJXUVKF-CVEARBPZSA-N 2 1 364.490 0.025 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cc1=O ZINC001220359635 1224843817 /nfs/dbraw/zinc/84/38/17/1224843817.db2.gz ROOKDFIKJXUVKF-CVEARBPZSA-N 2 1 364.490 0.025 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cc1=O ZINC001220359635 1224843822 /nfs/dbraw/zinc/84/38/22/1224843822.db2.gz ROOKDFIKJXUVKF-CVEARBPZSA-N 2 1 364.490 0.025 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666607 1204812787 /nfs/dbraw/zinc/81/27/87/1204812787.db2.gz CJMLHXAPDZVTAC-LMMKCTJWSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666607 1204812788 /nfs/dbraw/zinc/81/27/88/1204812788.db2.gz CJMLHXAPDZVTAC-LMMKCTJWSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091666607 1204812789 /nfs/dbraw/zinc/81/27/89/1204812789.db2.gz CJMLHXAPDZVTAC-LMMKCTJWSA-N 2 1 360.506 0.931 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091677620 1204818390 /nfs/dbraw/zinc/81/83/90/1204818390.db2.gz PNWZNGJHVADBQT-UWVAXJGDSA-N 2 1 360.502 0.341 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720914 1204832337 /nfs/dbraw/zinc/83/23/37/1204832337.db2.gz GVBIQNSAALPJNN-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720822 1204832454 /nfs/dbraw/zinc/83/24/54/1204832454.db2.gz CXZJEPDPRPGIRV-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)C1 ZINC001086880895 1204856012 /nfs/dbraw/zinc/85/60/12/1204856012.db2.gz URNNCAIRGPRYNY-CGTJXYLNSA-N 2 1 363.506 0.824 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)C1 ZINC001086880895 1204856013 /nfs/dbraw/zinc/85/60/13/1204856013.db2.gz URNNCAIRGPRYNY-CGTJXYLNSA-N 2 1 363.506 0.824 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087009516 1204897278 /nfs/dbraw/zinc/89/72/78/1204897278.db2.gz KEFQEEDXIONOJM-FHLIZLRMSA-N 2 1 371.489 0.190 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087035402 1204910664 /nfs/dbraw/zinc/91/06/64/1204910664.db2.gz ZQDLZCJGYXMZBQ-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087035288 1204911190 /nfs/dbraw/zinc/91/11/90/1204911190.db2.gz UPVSTXCYUUVDOU-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087059423 1204944660 /nfs/dbraw/zinc/94/46/60/1204944660.db2.gz FDPCHCSRSIQPOD-HUUCEWRRSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083381 1204971648 /nfs/dbraw/zinc/97/16/48/1204971648.db2.gz BOCSEDAKLGYRNZ-NUEKZKHPSA-N 2 1 364.494 0.551 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087084527 1204972029 /nfs/dbraw/zinc/97/20/29/1204972029.db2.gz GZHWAAJBMCMTJD-QLFBSQMISA-N 2 1 367.494 0.925 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083923 1204972683 /nfs/dbraw/zinc/97/26/83/1204972683.db2.gz XWPPYUDEVZSZNS-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087101069 1204997211 /nfs/dbraw/zinc/99/72/11/1204997211.db2.gz RQIOEYBMBANYDO-KBAYOESNSA-N 2 1 363.506 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087101290 1204999860 /nfs/dbraw/zinc/99/98/60/1204999860.db2.gz CQUJSGLXWQWICG-HZPDHXFCSA-N 2 1 360.462 0.578 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857482 1205052815 /nfs/dbraw/zinc/05/28/15/1205052815.db2.gz KESMYLGNZOAHRV-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857482 1205052819 /nfs/dbraw/zinc/05/28/19/1205052819.db2.gz KESMYLGNZOAHRV-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910054 1205068644 /nfs/dbraw/zinc/06/86/44/1205068644.db2.gz GGSRTYMNWKXBRZ-BEFAXECRSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910054 1205068648 /nfs/dbraw/zinc/06/86/48/1205068648.db2.gz GGSRTYMNWKXBRZ-BEFAXECRSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944189 1205085839 /nfs/dbraw/zinc/08/58/39/1205085839.db2.gz VHWUYNUGTDHTAP-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944189 1205085845 /nfs/dbraw/zinc/08/58/45/1205085845.db2.gz VHWUYNUGTDHTAP-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)C1 ZINC001091944189 1205085851 /nfs/dbraw/zinc/08/58/51/1205085851.db2.gz VHWUYNUGTDHTAP-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011505 1205112641 /nfs/dbraw/zinc/11/26/41/1205112641.db2.gz XQQVHITXYDXTMB-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011505 1205112645 /nfs/dbraw/zinc/11/26/45/1205112645.db2.gz XQQVHITXYDXTMB-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011505 1205112649 /nfs/dbraw/zinc/11/26/49/1205112649.db2.gz XQQVHITXYDXTMB-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131002 1205169279 /nfs/dbraw/zinc/16/92/79/1205169279.db2.gz MTUWYOXHEJYNNU-QKLQHJQFSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092145481 1205171134 /nfs/dbraw/zinc/17/11/34/1205171134.db2.gz OIPDUKLPALHIOK-QKLQHJQFSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198147 1205193949 /nfs/dbraw/zinc/19/39/49/1205193949.db2.gz HJFWSHJCWMNAEN-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198147 1205193951 /nfs/dbraw/zinc/19/39/51/1205193951.db2.gz HJFWSHJCWMNAEN-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198147 1205193958 /nfs/dbraw/zinc/19/39/58/1205193958.db2.gz HJFWSHJCWMNAEN-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198918 1205196183 /nfs/dbraw/zinc/19/61/83/1205196183.db2.gz BUCJUWWVDKCYIQ-FCEWJHQRSA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198918 1205196187 /nfs/dbraw/zinc/19/61/87/1205196187.db2.gz BUCJUWWVDKCYIQ-FCEWJHQRSA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198918 1205196189 /nfs/dbraw/zinc/19/61/89/1205196189.db2.gz BUCJUWWVDKCYIQ-FCEWJHQRSA-N 2 1 363.506 0.134 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272611 1205219392 /nfs/dbraw/zinc/21/93/92/1205219392.db2.gz HGGCXUWWIGAWQV-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272611 1205219405 /nfs/dbraw/zinc/21/94/05/1205219405.db2.gz HGGCXUWWIGAWQV-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272611 1205219410 /nfs/dbraw/zinc/21/94/10/1205219410.db2.gz HGGCXUWWIGAWQV-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272611 1205219415 /nfs/dbraw/zinc/21/94/15/1205219415.db2.gz HGGCXUWWIGAWQV-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001092275742 1205222178 /nfs/dbraw/zinc/22/21/78/1205222178.db2.gz NRXBMDPDGAQOOA-BEFAXECRSA-N 2 1 362.474 0.012 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)nn1 ZINC001092275691 1205222315 /nfs/dbraw/zinc/22/23/15/1205222315.db2.gz KRQGZVGPLYHLRT-BEFAXECRSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001092276688 1205223677 /nfs/dbraw/zinc/22/36/77/1205223677.db2.gz ZBSXWVJGGMKYCM-XLIONFOSSA-N 2 1 369.469 0.871 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001092276688 1205223682 /nfs/dbraw/zinc/22/36/82/1205223682.db2.gz ZBSXWVJGGMKYCM-XLIONFOSSA-N 2 1 369.469 0.871 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300535 1205233747 /nfs/dbraw/zinc/23/37/47/1205233747.db2.gz YTHGMSQODYWPEH-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300535 1205233753 /nfs/dbraw/zinc/23/37/53/1205233753.db2.gz YTHGMSQODYWPEH-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(C[NH+](CCOC)C3)n3ccnc32)CC[N@@H+]1C ZINC001092372151 1205276513 /nfs/dbraw/zinc/27/65/13/1205276513.db2.gz HODYGMHEWMUNDA-ARFHVFGLSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(C[NH+](CCOC)C3)n3ccnc32)CC[N@H+]1C ZINC001092372151 1205276515 /nfs/dbraw/zinc/27/65/15/1205276515.db2.gz HODYGMHEWMUNDA-ARFHVFGLSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC3(C[NH+](CC4CC4)C3)n3ccnc32)O1 ZINC001092374513 1205277385 /nfs/dbraw/zinc/27/73/85/1205277385.db2.gz CEJWOLRKOBLCAF-FVQBIDKESA-N 2 1 359.474 0.584 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC3(C[NH+](CC4CC4)C3)n3ccnc32)O1 ZINC001092374513 1205277388 /nfs/dbraw/zinc/27/73/88/1205277388.db2.gz CEJWOLRKOBLCAF-FVQBIDKESA-N 2 1 359.474 0.584 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)C1=O ZINC001092775931 1205354951 /nfs/dbraw/zinc/35/49/51/1205354951.db2.gz NSKPUOYFWGAPIQ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220478650 1224885585 /nfs/dbraw/zinc/88/55/85/1224885585.db2.gz GGNJEHWOUNRTLZ-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193537 1206052694 /nfs/dbraw/zinc/05/26/94/1206052694.db2.gz JIRDALDDUKUBCD-VNQPRFMTSA-N 2 1 361.490 0.929 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193537 1206052696 /nfs/dbraw/zinc/05/26/96/1206052696.db2.gz JIRDALDDUKUBCD-VNQPRFMTSA-N 2 1 361.490 0.929 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193537 1206052698 /nfs/dbraw/zinc/05/26/98/1206052698.db2.gz JIRDALDDUKUBCD-VNQPRFMTSA-N 2 1 361.490 0.929 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193823 1206053356 /nfs/dbraw/zinc/05/33/56/1206053356.db2.gz MTGVPMODYPXIBB-BZUAXINKSA-N 2 1 360.506 0.750 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193823 1206053360 /nfs/dbraw/zinc/05/33/60/1206053360.db2.gz MTGVPMODYPXIBB-BZUAXINKSA-N 2 1 360.506 0.750 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193823 1206053365 /nfs/dbraw/zinc/05/33/65/1206053365.db2.gz MTGVPMODYPXIBB-BZUAXINKSA-N 2 1 360.506 0.750 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193823 1206053370 /nfs/dbraw/zinc/05/33/70/1206053370.db2.gz MTGVPMODYPXIBB-BZUAXINKSA-N 2 1 360.506 0.750 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCCC1 ZINC001220553946 1224926094 /nfs/dbraw/zinc/92/60/94/1224926094.db2.gz ZNXKEIKUNRPVPT-SQNIBIBYSA-N 2 1 369.506 0.075 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCCC1 ZINC001220553946 1224926100 /nfs/dbraw/zinc/92/61/00/1224926100.db2.gz ZNXKEIKUNRPVPT-SQNIBIBYSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001093225600 1206063243 /nfs/dbraw/zinc/06/32/43/1206063243.db2.gz PKHXIHPPWPHNEL-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225600 1206063248 /nfs/dbraw/zinc/06/32/48/1206063248.db2.gz PKHXIHPPWPHNEL-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225600 1206063252 /nfs/dbraw/zinc/06/32/52/1206063252.db2.gz PKHXIHPPWPHNEL-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001093225599 1206063521 /nfs/dbraw/zinc/06/35/21/1206063521.db2.gz PKHXIHPPWPHNEL-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225599 1206063524 /nfs/dbraw/zinc/06/35/24/1206063524.db2.gz PKHXIHPPWPHNEL-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225599 1206063526 /nfs/dbraw/zinc/06/35/26/1206063526.db2.gz PKHXIHPPWPHNEL-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)n1 ZINC001093864121 1206136806 /nfs/dbraw/zinc/13/68/06/1206136806.db2.gz FOLNYPQEXKFTSQ-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093878968 1206140517 /nfs/dbraw/zinc/14/05/17/1206140517.db2.gz JIPGDHDSSWZFPT-UMVBOHGHSA-N 2 1 363.462 0.265 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001093878965 1206140575 /nfs/dbraw/zinc/14/05/75/1206140575.db2.gz JEYKCQZJIIGNPT-TZMCWYRMSA-N 2 1 368.445 0.664 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093879436 1206141377 /nfs/dbraw/zinc/14/13/77/1206141377.db2.gz VOJGPVZBAKMQSZ-NFAWXSAZSA-N 2 1 363.462 0.313 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093993774 1206165156 /nfs/dbraw/zinc/16/51/56/1206165156.db2.gz SRJZDKJWHFDXBV-OAGGEKHMSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093993774 1206165157 /nfs/dbraw/zinc/16/51/57/1206165157.db2.gz SRJZDKJWHFDXBV-OAGGEKHMSA-N 2 1 364.494 0.108 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)CC2 ZINC001093996500 1206166283 /nfs/dbraw/zinc/16/62/83/1206166283.db2.gz FKSYGQGONHCMFW-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)n1C ZINC001094042377 1206174071 /nfs/dbraw/zinc/17/40/71/1206174071.db2.gz STFDPXZXGAEFBG-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094043958 1206174763 /nfs/dbraw/zinc/17/47/63/1206174763.db2.gz FMLVPHLPGXKYDV-RBSFLKMASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)c1nnnn1C ZINC001094043900 1206174831 /nfs/dbraw/zinc/17/48/31/1206174831.db2.gz BRJBTELOZRYOGH-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001094080425 1206181240 /nfs/dbraw/zinc/18/12/40/1206181240.db2.gz FCVCQQCYKFIPLI-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001094088343 1206181986 /nfs/dbraw/zinc/18/19/86/1206181986.db2.gz PNLHDIBCQQBIBG-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001094110653 1206185524 /nfs/dbraw/zinc/18/55/24/1206185524.db2.gz KYRYRFBDGXZKTE-CRAIPNDOSA-N 2 1 361.490 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094220798 1206203029 /nfs/dbraw/zinc/20/30/29/1206203029.db2.gz WCVZQFVQGDHZMV-QLFBSQMISA-N 2 1 362.474 0.883 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001094221825 1206204070 /nfs/dbraw/zinc/20/40/70/1206204070.db2.gz WQYVXNDYSIGZPQ-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)C1 ZINC001094232097 1206208339 /nfs/dbraw/zinc/20/83/39/1206208339.db2.gz MKNMJKIXOHKEFT-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)C1 ZINC001094232097 1206208340 /nfs/dbraw/zinc/20/83/40/1206208340.db2.gz MKNMJKIXOHKEFT-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094231767 1206208526 /nfs/dbraw/zinc/20/85/26/1206208526.db2.gz AWNMWDMKFZAEGM-NUJGCVRESA-N 2 1 363.506 0.808 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094231767 1206208530 /nfs/dbraw/zinc/20/85/30/1206208530.db2.gz AWNMWDMKFZAEGM-NUJGCVRESA-N 2 1 363.506 0.808 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094234004 1206208946 /nfs/dbraw/zinc/20/89/46/1206208946.db2.gz DMWBLFJKCYRKDT-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094234004 1206208948 /nfs/dbraw/zinc/20/89/48/1206208948.db2.gz DMWBLFJKCYRKDT-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157719 1206225683 /nfs/dbraw/zinc/22/56/83/1206225683.db2.gz XRXDUKKCGIWLLO-YVSFHVDLSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157719 1206225685 /nfs/dbraw/zinc/22/56/85/1206225685.db2.gz XRXDUKKCGIWLLO-YVSFHVDLSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110157719 1206225688 /nfs/dbraw/zinc/22/56/88/1206225688.db2.gz XRXDUKKCGIWLLO-YVSFHVDLSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110157719 1206225691 /nfs/dbraw/zinc/22/56/91/1206225691.db2.gz XRXDUKKCGIWLLO-YVSFHVDLSA-N 2 1 368.522 0.589 20 0 FCADMP CCn1cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001171500644 1206249279 /nfs/dbraw/zinc/24/92/79/1206249279.db2.gz MUJXVSYOTJDAFA-BFYDXBDKSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001171500644 1206249283 /nfs/dbraw/zinc/24/92/83/1206249283.db2.gz MUJXVSYOTJDAFA-BFYDXBDKSA-N 2 1 366.510 0.782 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487848 1206249294 /nfs/dbraw/zinc/24/92/94/1206249294.db2.gz XIWUBXABPFWTJA-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487848 1206249299 /nfs/dbraw/zinc/24/92/99/1206249299.db2.gz XIWUBXABPFWTJA-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173579258 1206282542 /nfs/dbraw/zinc/28/25/42/1206282542.db2.gz NMEPDZKIDLVQHA-BJWYYQGGSA-N 2 1 367.490 0.439 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175211234 1206301627 /nfs/dbraw/zinc/30/16/27/1206301627.db2.gz LHQOSZLEYZJSGF-ZACQAIPSSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001175211234 1206301629 /nfs/dbraw/zinc/30/16/29/1206301629.db2.gz LHQOSZLEYZJSGF-ZACQAIPSSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001175211234 1206301631 /nfs/dbraw/zinc/30/16/31/1206301631.db2.gz LHQOSZLEYZJSGF-ZACQAIPSSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001178523366 1206358925 /nfs/dbraw/zinc/35/89/25/1206358925.db2.gz XEMLOCKEVTYZEW-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCCN(C)C2=O)O1 ZINC001178810597 1206365677 /nfs/dbraw/zinc/36/56/77/1206365677.db2.gz HUTWJCLWTXQNOX-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCCN(C)C2=O)O1 ZINC001178810597 1206365681 /nfs/dbraw/zinc/36/56/81/1206365681.db2.gz HUTWJCLWTXQNOX-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCn1nncc1C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810755 1206365822 /nfs/dbraw/zinc/36/58/22/1206365822.db2.gz KOEFTANLAXNVLL-NVXWUHKLSA-N 2 1 366.510 0.783 20 0 FCADMP CCn1nncc1C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810755 1206365825 /nfs/dbraw/zinc/36/58/25/1206365825.db2.gz KOEFTANLAXNVLL-NVXWUHKLSA-N 2 1 366.510 0.783 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC2CCCC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982240 1206369027 /nfs/dbraw/zinc/36/90/27/1206369027.db2.gz LBRYAZIBYYATDR-YQFWSFKMSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982240 1206369029 /nfs/dbraw/zinc/36/90/29/1206369029.db2.gz LBRYAZIBYYATDR-YQFWSFKMSA-N 2 1 366.506 0.343 20 0 FCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)CC1 ZINC001179012785 1206370747 /nfs/dbraw/zinc/37/07/47/1206370747.db2.gz SXUQVRNHQJJJBJ-HDICACEKSA-N 2 1 362.518 0.729 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001180407438 1206395085 /nfs/dbraw/zinc/39/50/85/1206395085.db2.gz LVYQKLNLAINYHJ-ZSYWTGECSA-N 2 1 371.481 0.928 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001180407438 1206395087 /nfs/dbraw/zinc/39/50/87/1206395087.db2.gz LVYQKLNLAINYHJ-ZSYWTGECSA-N 2 1 371.481 0.928 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001180407438 1206395088 /nfs/dbraw/zinc/39/50/88/1206395088.db2.gz LVYQKLNLAINYHJ-ZSYWTGECSA-N 2 1 371.481 0.928 20 0 FCADMP C[C@@H](C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N)[NH+](C)C ZINC001180864727 1206401776 /nfs/dbraw/zinc/40/17/76/1206401776.db2.gz FICZEZDCBFELRF-NSHDSACASA-N 2 1 369.429 0.867 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510675 1206487610 /nfs/dbraw/zinc/48/76/10/1206487610.db2.gz HPPUKUKJACWLQB-XLAORIBOSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001185942365 1206488671 /nfs/dbraw/zinc/48/86/71/1206488671.db2.gz KHBWNRNYIAQRRT-HYVNUMGLSA-N 2 1 364.494 0.254 20 0 FCADMP COc1ccc(CC[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001186055797 1206492454 /nfs/dbraw/zinc/49/24/54/1206492454.db2.gz UTPYVOLQHXDVLC-GOSISDBHSA-N 2 1 361.486 0.885 20 0 FCADMP COc1ccc(CC[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001186055797 1206492455 /nfs/dbraw/zinc/49/24/55/1206492455.db2.gz UTPYVOLQHXDVLC-GOSISDBHSA-N 2 1 361.486 0.885 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(N3CCN(C)CC3)cn2)C1 ZINC001186098857 1206493018 /nfs/dbraw/zinc/49/30/18/1206493018.db2.gz COQUZYKSRAIFHI-AWEZNQCLSA-N 2 1 361.446 0.267 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2cccc(C)n2)C2CC[NH2+]CC2)C1 ZINC001186107823 1206493314 /nfs/dbraw/zinc/49/33/14/1206493314.db2.gz UTYPTOPBWSFRKG-HNNXBMFYSA-N 2 1 360.458 0.970 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2cccc(C)n2)C2CC[NH2+]CC2)C1 ZINC001186107823 1206493316 /nfs/dbraw/zinc/49/33/16/1206493316.db2.gz UTYPTOPBWSFRKG-HNNXBMFYSA-N 2 1 360.458 0.970 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001186354161 1206495987 /nfs/dbraw/zinc/49/59/87/1206495987.db2.gz YMWCYEWEDZOTOO-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001186354161 1206495989 /nfs/dbraw/zinc/49/59/89/1206495989.db2.gz YMWCYEWEDZOTOO-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001186354161 1206495992 /nfs/dbraw/zinc/49/59/92/1206495992.db2.gz YMWCYEWEDZOTOO-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001186354161 1206495994 /nfs/dbraw/zinc/49/59/94/1206495994.db2.gz YMWCYEWEDZOTOO-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001186354161 1206495995 /nfs/dbraw/zinc/49/59/95/1206495995.db2.gz YMWCYEWEDZOTOO-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618072 1224971392 /nfs/dbraw/zinc/97/13/92/1224971392.db2.gz DCFIKLFBGQBPDL-XKQJLSEDSA-N 2 1 359.430 0.203 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618072 1224971400 /nfs/dbraw/zinc/97/14/00/1224971400.db2.gz DCFIKLFBGQBPDL-XKQJLSEDSA-N 2 1 359.430 0.203 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188107732 1207422938 /nfs/dbraw/zinc/42/29/38/1207422938.db2.gz XGQCXATYHCQJJC-YESZJQIVSA-N 2 1 368.497 0.725 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001188313744 1207442958 /nfs/dbraw/zinc/44/29/58/1207442958.db2.gz BUHMBYGRALWHFU-ARFHVFGLSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001188313744 1207442961 /nfs/dbraw/zinc/44/29/61/1207442961.db2.gz BUHMBYGRALWHFU-ARFHVFGLSA-N 2 1 367.538 0.957 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405931 1207454729 /nfs/dbraw/zinc/45/47/29/1207454729.db2.gz VNKGYIUPZSBGGA-YQQAZPJKSA-N 2 1 359.474 0.575 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925842 1207486525 /nfs/dbraw/zinc/48/65/25/1207486525.db2.gz FDAJZBPJPSPZRC-KSZLIROESA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925842 1207486528 /nfs/dbraw/zinc/48/65/28/1207486528.db2.gz FDAJZBPJPSPZRC-KSZLIROESA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925842 1207486531 /nfs/dbraw/zinc/48/65/31/1207486531.db2.gz FDAJZBPJPSPZRC-KSZLIROESA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925842 1207486534 /nfs/dbraw/zinc/48/65/34/1207486534.db2.gz FDAJZBPJPSPZRC-KSZLIROESA-N 2 1 369.506 0.291 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188964182 1207493426 /nfs/dbraw/zinc/49/34/26/1207493426.db2.gz YLLOBYKUDVRTEH-DLBZAZTESA-N 2 1 360.506 0.769 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189438605 1207553727 /nfs/dbraw/zinc/55/37/27/1207553727.db2.gz BDZVIGPIWALRFZ-GVDBMIGSSA-N 2 1 366.506 0.286 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189438605 1207553731 /nfs/dbraw/zinc/55/37/31/1207553731.db2.gz BDZVIGPIWALRFZ-GVDBMIGSSA-N 2 1 366.506 0.286 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788520 1207601694 /nfs/dbraw/zinc/60/16/94/1207601694.db2.gz XAFDCGDEJFTIIP-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788520 1207601700 /nfs/dbraw/zinc/60/17/00/1207601700.db2.gz XAFDCGDEJFTIIP-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788520 1207601704 /nfs/dbraw/zinc/60/17/04/1207601704.db2.gz XAFDCGDEJFTIIP-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788520 1207601710 /nfs/dbraw/zinc/60/17/10/1207601710.db2.gz XAFDCGDEJFTIIP-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)ccn1 ZINC001189793677 1207601875 /nfs/dbraw/zinc/60/18/75/1207601875.db2.gz GYYMMEIJOSHSDW-DLBZAZTESA-N 2 1 362.474 0.701 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)ccn1 ZINC001189793677 1207601885 /nfs/dbraw/zinc/60/18/85/1207601885.db2.gz GYYMMEIJOSHSDW-DLBZAZTESA-N 2 1 362.474 0.701 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820008 1207605567 /nfs/dbraw/zinc/60/55/67/1207605567.db2.gz KDKXTBGKGGNKHE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820008 1207605581 /nfs/dbraw/zinc/60/55/81/1207605581.db2.gz KDKXTBGKGGNKHE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189820266 1207606707 /nfs/dbraw/zinc/60/67/07/1207606707.db2.gz ZDMGOXDPBMQYHJ-DOTOQJQBSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189820266 1207606710 /nfs/dbraw/zinc/60/67/10/1207606710.db2.gz ZDMGOXDPBMQYHJ-DOTOQJQBSA-N 2 1 366.506 0.108 20 0 FCADMP CCN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263607 1207669845 /nfs/dbraw/zinc/66/98/45/1207669845.db2.gz WIQHEOYOPZJOMQ-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CCN1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263607 1207669847 /nfs/dbraw/zinc/66/98/47/1207669847.db2.gz WIQHEOYOPZJOMQ-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@@H+](C)CC(=O)NC12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001273660097 1207877385 /nfs/dbraw/zinc/87/73/85/1207877385.db2.gz QCJRPUAXRUUPFB-UHFFFAOYSA-N 2 1 362.478 0.374 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737648 1207886775 /nfs/dbraw/zinc/88/67/75/1207886775.db2.gz DNBZFSUGCMJPBV-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193737648 1207886777 /nfs/dbraw/zinc/88/67/77/1207886777.db2.gz DNBZFSUGCMJPBV-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193737648 1207886778 /nfs/dbraw/zinc/88/67/78/1207886778.db2.gz DNBZFSUGCMJPBV-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791726 1207889330 /nfs/dbraw/zinc/88/93/30/1207889330.db2.gz PQINDGYUNDIZOQ-GUDVDZBRSA-N 2 1 361.486 0.705 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290372 1207935410 /nfs/dbraw/zinc/93/54/10/1207935410.db2.gz UETFFMNHQPPUAB-KZNAEPCWSA-N 2 1 362.474 0.638 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001195013913 1207986102 /nfs/dbraw/zinc/98/61/02/1207986102.db2.gz NCDHCJXRKRCOBP-MJGOQNOKSA-N 2 1 361.486 0.361 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001195013913 1207986104 /nfs/dbraw/zinc/98/61/04/1207986104.db2.gz NCDHCJXRKRCOBP-MJGOQNOKSA-N 2 1 361.486 0.361 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997871 1207988156 /nfs/dbraw/zinc/98/81/56/1207988156.db2.gz UHAYRDXGLVKRHA-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997871 1207988159 /nfs/dbraw/zinc/98/81/59/1207988159.db2.gz UHAYRDXGLVKRHA-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997871 1207988162 /nfs/dbraw/zinc/98/81/62/1207988162.db2.gz UHAYRDXGLVKRHA-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185104 1208060081 /nfs/dbraw/zinc/06/00/81/1208060081.db2.gz PHUZLLCNVPZTEL-RTBURBONSA-N 2 1 363.502 0.992 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1=O ZINC001196200124 1208065510 /nfs/dbraw/zinc/06/55/10/1208065510.db2.gz ROOKDFIKJXUVKF-HZPDHXFCSA-N 2 1 364.490 0.025 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cc1=O ZINC001196200124 1208065512 /nfs/dbraw/zinc/06/55/12/1208065512.db2.gz ROOKDFIKJXUVKF-HZPDHXFCSA-N 2 1 364.490 0.025 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1=O ZINC001196200124 1208065516 /nfs/dbraw/zinc/06/55/16/1208065516.db2.gz ROOKDFIKJXUVKF-HZPDHXFCSA-N 2 1 364.490 0.025 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@@H+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001196268233 1208069908 /nfs/dbraw/zinc/06/99/08/1208069908.db2.gz DCYAJWADQBDRAI-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001196268233 1208069910 /nfs/dbraw/zinc/06/99/10/1208069910.db2.gz DCYAJWADQBDRAI-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001196268233 1208069913 /nfs/dbraw/zinc/06/99/13/1208069913.db2.gz DCYAJWADQBDRAI-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001196268233 1208069917 /nfs/dbraw/zinc/06/99/17/1208069917.db2.gz DCYAJWADQBDRAI-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O)[NH+](C)C ZINC001196267649 1208069975 /nfs/dbraw/zinc/06/99/75/1208069975.db2.gz GAYXCRDHFJDXHK-CEXWTWQISA-N 2 1 371.485 0.874 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)cc1 ZINC001196939508 1208123926 /nfs/dbraw/zinc/12/39/26/1208123926.db2.gz JZOQHQDGOAJQCL-HZPDHXFCSA-N 2 1 371.428 0.805 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)cc1 ZINC001196939508 1208123928 /nfs/dbraw/zinc/12/39/28/1208123928.db2.gz JZOQHQDGOAJQCL-HZPDHXFCSA-N 2 1 371.428 0.805 20 0 FCADMP COCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001197433217 1208164413 /nfs/dbraw/zinc/16/44/13/1208164413.db2.gz GTOZETVLXMPOQJ-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CC1 ZINC001197833572 1208198528 /nfs/dbraw/zinc/19/85/28/1208198528.db2.gz JRQUJNLPDGQIHP-NXHRZFHOSA-N 2 1 362.474 0.738 20 0 FCADMP Cc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826013 1208201589 /nfs/dbraw/zinc/20/15/89/1208201589.db2.gz MDFXPBHRTJICEA-RTBURBONSA-N 2 1 363.502 0.667 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038863 1208215955 /nfs/dbraw/zinc/21/59/55/1208215955.db2.gz VZNPJPLSRKFYBL-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP Cc1ccccc1OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198662383 1208280941 /nfs/dbraw/zinc/28/09/41/1208280941.db2.gz NCPNMRWGCMTUMT-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198662383 1208280945 /nfs/dbraw/zinc/28/09/45/1208280945.db2.gz NCPNMRWGCMTUMT-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198662383 1208280950 /nfs/dbraw/zinc/28/09/50/1208280950.db2.gz NCPNMRWGCMTUMT-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095356 1208317526 /nfs/dbraw/zinc/31/75/26/1208317526.db2.gz HUICRVIRUYBASX-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095356 1208317531 /nfs/dbraw/zinc/31/75/31/1208317531.db2.gz HUICRVIRUYBASX-KURKYZTESA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001691701371 1208418466 /nfs/dbraw/zinc/41/84/66/1208418466.db2.gz PKESHLBOQBPANW-RCCFBDPRSA-N 2 1 363.506 0.559 20 0 FCADMP Cc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768447 1225063292 /nfs/dbraw/zinc/06/32/92/1225063292.db2.gz MDFXPBHRTJICEA-MOPGFXCFSA-N 2 1 363.502 0.667 20 0 FCADMP CC(C)COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229426 1208449222 /nfs/dbraw/zinc/44/92/22/1208449222.db2.gz BUZFXUBEOPXAKT-KBAYOESNSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229426 1208449225 /nfs/dbraw/zinc/44/92/25/1208449225.db2.gz BUZFXUBEOPXAKT-KBAYOESNSA-N 2 1 371.522 0.320 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)[C@@H](c2ccccc2)C1 ZINC001201454420 1208456050 /nfs/dbraw/zinc/45/60/50/1208456050.db2.gz NWLZGYYBMSHWPQ-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[C@@H](C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001488827172 1208551493 /nfs/dbraw/zinc/55/14/93/1208551493.db2.gz AMFQHMDKDCEINK-XFIYOXNOSA-N 2 1 359.536 0.492 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)c1nnnn1C ZINC001489056387 1208615991 /nfs/dbraw/zinc/61/59/91/1208615991.db2.gz UYEPIYLWVTUFAZ-ILXRZTDVSA-N 2 1 351.499 0.830 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001489056387 1208616002 /nfs/dbraw/zinc/61/60/02/1208616002.db2.gz UYEPIYLWVTUFAZ-ILXRZTDVSA-N 2 1 351.499 0.830 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220798776 1225079833 /nfs/dbraw/zinc/07/98/33/1225079833.db2.gz GWHXNCHAKHQLAV-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220798776 1225079837 /nfs/dbraw/zinc/07/98/37/1225079837.db2.gz GWHXNCHAKHQLAV-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220798779 1225080401 /nfs/dbraw/zinc/08/04/01/1225080401.db2.gz GWHXNCHAKHQLAV-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220798779 1225080410 /nfs/dbraw/zinc/08/04/10/1225080410.db2.gz GWHXNCHAKHQLAV-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489381265 1208803268 /nfs/dbraw/zinc/80/32/68/1208803268.db2.gz AAUVWMAELBCZDO-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1O ZINC001489381265 1208803269 /nfs/dbraw/zinc/80/32/69/1208803269.db2.gz AAUVWMAELBCZDO-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1O ZINC001489381265 1208803270 /nfs/dbraw/zinc/80/32/70/1208803270.db2.gz AAUVWMAELBCZDO-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829145 1225093103 /nfs/dbraw/zinc/09/31/03/1225093103.db2.gz KRTZUZJXDCYPIF-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829145 1225093107 /nfs/dbraw/zinc/09/31/07/1225093107.db2.gz KRTZUZJXDCYPIF-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829145 1225093115 /nfs/dbraw/zinc/09/31/15/1225093115.db2.gz KRTZUZJXDCYPIF-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220829145 1225093122 /nfs/dbraw/zinc/09/31/22/1225093122.db2.gz KRTZUZJXDCYPIF-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1OC ZINC001489535231 1208896627 /nfs/dbraw/zinc/89/66/27/1208896627.db2.gz MLMUBXMKOXUDLM-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OC ZINC001489535231 1208896628 /nfs/dbraw/zinc/89/66/28/1208896628.db2.gz MLMUBXMKOXUDLM-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OC ZINC001489535231 1208896629 /nfs/dbraw/zinc/89/66/29/1208896629.db2.gz MLMUBXMKOXUDLM-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001489581922 1208993906 /nfs/dbraw/zinc/99/39/06/1208993906.db2.gz QKHTXKBNCBGPKD-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001489672101 1209082166 /nfs/dbraw/zinc/08/21/66/1209082166.db2.gz GUWQZHJHWLWGEF-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000850833709 1209491639 /nfs/dbraw/zinc/49/16/39/1209491639.db2.gz WRXDIAHDUFUOME-UHFFFAOYSA-N 2 1 361.490 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000851883630 1209523614 /nfs/dbraw/zinc/52/36/14/1209523614.db2.gz WSZLQKQAEMYIRJ-POAQFYNOSA-N 2 1 360.502 0.317 20 0 FCADMP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c2ccncn2)CC1 ZINC001220940858 1225149952 /nfs/dbraw/zinc/14/99/52/1225149952.db2.gz IONCYHRKWVJDBM-JYJNAYRXSA-N 2 1 358.490 0.954 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cncn3C1)C2)C1CC1 ZINC001110741244 1209780608 /nfs/dbraw/zinc/78/06/08/1209780608.db2.gz XINSBXJODDBASZ-AHCXZYCDSA-N 2 1 371.485 0.693 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cncn3C1)C2)C1CC1 ZINC001110741244 1209780612 /nfs/dbraw/zinc/78/06/12/1209780612.db2.gz XINSBXJODDBASZ-AHCXZYCDSA-N 2 1 371.485 0.693 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)oc1C ZINC000861731990 1209877758 /nfs/dbraw/zinc/87/77/58/1209877758.db2.gz WLTMDENTLINRCL-GFCCVEGCSA-N 2 1 365.478 0.425 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000868280247 1210049284 /nfs/dbraw/zinc/04/92/84/1210049284.db2.gz YLHLGHLVKOFSSN-RDJZCZTQSA-N 2 1 357.458 0.340 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000868286513 1210049720 /nfs/dbraw/zinc/04/97/20/1210049720.db2.gz OHTUSDCUKXXWAF-CABCVRRESA-N 2 1 359.474 0.715 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C(=O)OC)n1 ZINC000878589727 1210462574 /nfs/dbraw/zinc/46/25/74/1210462574.db2.gz UEFMSTJTWGGXHP-OAHLLOKOSA-N 2 1 365.478 0.544 20 0 FCADMP O=C(C[NH+]1CC[C@@H](CF)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC000880292765 1210526969 /nfs/dbraw/zinc/52/69/69/1210526969.db2.gz VKLXNZNORZJIIO-HOTGVXAUSA-N 2 1 372.460 0.240 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091683 1225217790 /nfs/dbraw/zinc/21/77/90/1225217790.db2.gz UEEYOINQHPBZIT-OAGGEKHMSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091683 1225217794 /nfs/dbraw/zinc/21/77/94/1225217794.db2.gz UEEYOINQHPBZIT-OAGGEKHMSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091683 1225217797 /nfs/dbraw/zinc/21/77/97/1225217797.db2.gz UEEYOINQHPBZIT-OAGGEKHMSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091683 1225217802 /nfs/dbraw/zinc/21/78/02/1225217802.db2.gz UEEYOINQHPBZIT-OAGGEKHMSA-N 2 1 363.458 0.328 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000883308096 1210661968 /nfs/dbraw/zinc/66/19/68/1210661968.db2.gz HZRRAWBCKJWTMK-QGZVFWFLSA-N 2 1 361.490 0.871 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000883416429 1210665554 /nfs/dbraw/zinc/66/55/54/1210665554.db2.gz UWRIPIRCKDSZDH-HNNXBMFYSA-N 2 1 363.506 0.739 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)n1C ZINC000883502173 1210670489 /nfs/dbraw/zinc/67/04/89/1210670489.db2.gz DEDNPYSFRLOEAJ-OAHLLOKOSA-N 2 1 364.494 0.929 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883604461 1210673475 /nfs/dbraw/zinc/67/34/75/1210673475.db2.gz XLWSANGVVABKQY-GOSISDBHSA-N 2 1 371.485 0.859 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883604903 1210673524 /nfs/dbraw/zinc/67/35/24/1210673524.db2.gz HHUCTWLGWKAENX-MAUKXSAKSA-N 2 1 371.485 0.730 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883605525 1210673741 /nfs/dbraw/zinc/67/37/41/1210673741.db2.gz WOHKAKHDUAHFAD-CRAIPNDOSA-N 2 1 371.485 0.717 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883606522 1210673789 /nfs/dbraw/zinc/67/37/89/1210673789.db2.gz UTFSURCHROZAFL-KRWDZBQOSA-N 2 1 359.474 0.717 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611487 1210675030 /nfs/dbraw/zinc/67/50/30/1210675030.db2.gz ZNBPAELXTBBXBF-RHSMWYFYSA-N 2 1 359.474 0.634 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000883648798 1210679250 /nfs/dbraw/zinc/67/92/50/1210679250.db2.gz FVDUAYNQKMVVBH-GOSISDBHSA-N 2 1 374.485 0.721 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000883648798 1210679253 /nfs/dbraw/zinc/67/92/53/1210679253.db2.gz FVDUAYNQKMVVBH-GOSISDBHSA-N 2 1 374.485 0.721 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000884207817 1210723181 /nfs/dbraw/zinc/72/31/81/1210723181.db2.gz HCADIEKORZEZEY-INIZCTEOSA-N 2 1 362.474 0.602 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884235588 1210725769 /nfs/dbraw/zinc/72/57/69/1210725769.db2.gz ZANOGYQRZIYUHO-QGZVFWFLSA-N 2 1 374.533 0.495 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)c1 ZINC000884331517 1210730593 /nfs/dbraw/zinc/73/05/93/1210730593.db2.gz PYVQNWQQORMGDC-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)c1 ZINC000884331517 1210730600 /nfs/dbraw/zinc/73/06/00/1210730600.db2.gz PYVQNWQQORMGDC-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884504044 1210740540 /nfs/dbraw/zinc/74/05/40/1210740540.db2.gz ZQAPDVXKZLASPF-NZSAHSFTSA-N 2 1 372.513 0.720 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884513968 1210742226 /nfs/dbraw/zinc/74/22/26/1210742226.db2.gz WLHQQWWFFDPLDS-KURKYZTESA-N 2 1 356.470 0.730 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000884522847 1210744239 /nfs/dbraw/zinc/74/42/39/1210744239.db2.gz JOCLHGLEIJNIOC-UQASEVPWSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000884522847 1210744243 /nfs/dbraw/zinc/74/42/43/1210744243.db2.gz JOCLHGLEIJNIOC-UQASEVPWSA-N 2 1 370.497 0.617 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884522836 1210744665 /nfs/dbraw/zinc/74/46/65/1210744665.db2.gz JDENHKUWPPEZSF-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884522836 1210744668 /nfs/dbraw/zinc/74/46/68/1210744668.db2.gz JDENHKUWPPEZSF-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572258 1210754127 /nfs/dbraw/zinc/75/41/27/1210754127.db2.gz JOOJOUISWVLCSW-RANZSIQMSA-N 2 1 356.470 0.586 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)o1 ZINC000884601428 1210759717 /nfs/dbraw/zinc/75/97/17/1210759717.db2.gz LIEYCOPKTOONSR-OWCLPIDISA-N 2 1 360.458 0.804 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884604949 1210760577 /nfs/dbraw/zinc/76/05/77/1210760577.db2.gz RXVFIAXLAZBIFM-BVBHFADKSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000884623941 1210764718 /nfs/dbraw/zinc/76/47/18/1210764718.db2.gz SLRGSOHNYDVEFL-QAPCUYQASA-N 2 1 358.486 0.829 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884626960 1210765380 /nfs/dbraw/zinc/76/53/80/1210765380.db2.gz AASKFUNEXGHWIM-AWEZNQCLSA-N 2 1 356.470 0.549 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000884626795 1210765406 /nfs/dbraw/zinc/76/54/06/1210765406.db2.gz VINWIHDHHYCHRD-FGTMMUONSA-N 2 1 358.486 0.806 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884627367 1210765530 /nfs/dbraw/zinc/76/55/30/1210765530.db2.gz NDCDJJJBASUQHV-PBHICJAKSA-N 2 1 356.470 0.418 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000884673645 1210776945 /nfs/dbraw/zinc/77/69/45/1210776945.db2.gz BZMQOBPIWKYZSS-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000884673645 1210776950 /nfs/dbraw/zinc/77/69/50/1210776950.db2.gz BZMQOBPIWKYZSS-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675879 1210777194 /nfs/dbraw/zinc/77/71/94/1210777194.db2.gz TZFMYQNKYXNNKW-WBVHZDCISA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690178 1210781212 /nfs/dbraw/zinc/78/12/12/1210781212.db2.gz OZXQDMKUDKCVEQ-WBVHZDCISA-N 2 1 358.486 0.739 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000884691356 1210782728 /nfs/dbraw/zinc/78/27/28/1210782728.db2.gz FKXDJEWAESOJEY-AEFFLSMTSA-N 2 1 358.486 0.801 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884704947 1210783190 /nfs/dbraw/zinc/78/31/90/1210783190.db2.gz ZOIIWWSYIKPGQU-RYQLBKOJSA-N 2 1 358.486 0.820 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)c1 ZINC000884715074 1210785964 /nfs/dbraw/zinc/78/59/64/1210785964.db2.gz IMHGGNBTFUFTFD-QGZVFWFLSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)c1 ZINC000884715074 1210785967 /nfs/dbraw/zinc/78/59/67/1210785967.db2.gz IMHGGNBTFUFTFD-QGZVFWFLSA-N 2 1 374.485 0.310 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715614 1210786142 /nfs/dbraw/zinc/78/61/42/1210786142.db2.gz YUBDAQVFMSEUCE-RDJZCZTQSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722024 1210788415 /nfs/dbraw/zinc/78/84/15/1210788415.db2.gz DEKRXSVAABHTCF-UKRRQHHQSA-N 2 1 368.428 0.581 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722024 1210788418 /nfs/dbraw/zinc/78/84/18/1210788418.db2.gz DEKRXSVAABHTCF-UKRRQHHQSA-N 2 1 368.428 0.581 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000884724297 1210789249 /nfs/dbraw/zinc/78/92/49/1210789249.db2.gz OTXFFRNFKBAPJW-KURKYZTESA-N 2 1 358.486 0.929 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884741338 1210792381 /nfs/dbraw/zinc/79/23/81/1210792381.db2.gz MZFDUWAOBVVVRO-MRXNPFEDSA-N 2 1 368.522 0.355 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832836 1210800064 /nfs/dbraw/zinc/80/00/64/1210800064.db2.gz AWKYQRYPKNKFKL-NUJGCVRESA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000884834286 1210800352 /nfs/dbraw/zinc/80/03/52/1210800352.db2.gz USZXQAIZLQYAMV-RWQQGDIJSA-N 2 1 372.513 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835500 1210800381 /nfs/dbraw/zinc/80/03/81/1210800381.db2.gz STOZATQGVJSHLZ-WBVHZDCISA-N 2 1 358.486 0.820 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)c1 ZINC000884915294 1210803994 /nfs/dbraw/zinc/80/39/94/1210803994.db2.gz REKBNERXRHIXML-WKILWMFISA-N 2 1 359.474 0.672 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154183 1225241773 /nfs/dbraw/zinc/24/17/73/1225241773.db2.gz FWVRMJMOVQTOJG-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154183 1225241779 /nfs/dbraw/zinc/24/17/79/1225241779.db2.gz FWVRMJMOVQTOJG-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884966686 1210805728 /nfs/dbraw/zinc/80/57/28/1210805728.db2.gz QEIUIBDJFKJPPC-HNNXBMFYSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982603 1210806651 /nfs/dbraw/zinc/80/66/51/1210806651.db2.gz GHRXAHGMBDYSHF-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000884984175 1210807099 /nfs/dbraw/zinc/80/70/99/1210807099.db2.gz RMXQJLLWIUJRIA-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000884984175 1210807102 /nfs/dbraw/zinc/80/71/02/1210807102.db2.gz RMXQJLLWIUJRIA-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885152756 1210813161 /nfs/dbraw/zinc/81/31/61/1210813161.db2.gz VXVZXUNGSYAGCH-KZNAEPCWSA-N 2 1 356.470 0.370 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157724 1210813315 /nfs/dbraw/zinc/81/33/15/1210813315.db2.gz QUHBTMDIRPHATR-APWZRJJASA-N 2 1 372.513 0.911 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157730 1210813408 /nfs/dbraw/zinc/81/34/08/1210813408.db2.gz QUHBTMDIRPHATR-QFBILLFUSA-N 2 1 372.513 0.911 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000885204464 1210815446 /nfs/dbraw/zinc/81/54/46/1210815446.db2.gz NALYOODKCBALKK-CALCHBBNSA-N 2 1 358.486 0.820 20 0 FCADMP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000886874635 1210838805 /nfs/dbraw/zinc/83/88/05/1210838805.db2.gz SAPLNRKXDQRAPZ-IBGZPJMESA-N 2 1 358.490 0.591 20 0 FCADMP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000886874635 1210838807 /nfs/dbraw/zinc/83/88/07/1210838807.db2.gz SAPLNRKXDQRAPZ-IBGZPJMESA-N 2 1 358.490 0.591 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064214 1210844441 /nfs/dbraw/zinc/84/44/41/1210844441.db2.gz BYENDSFNPYSWNQ-GDAAHCPNSA-N 2 1 370.497 0.915 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064843 1210844551 /nfs/dbraw/zinc/84/45/51/1210844551.db2.gz QCQFJMYWDWWVKS-RYQLBKOJSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890283995 1210854018 /nfs/dbraw/zinc/85/40/18/1210854018.db2.gz RYRJAVRFKWZKHA-MAUKXSAKSA-N 2 1 373.501 0.976 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090877 1210878761 /nfs/dbraw/zinc/87/87/61/1210878761.db2.gz LPHBOVDBNQCMGW-IAGOWNOFSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920212 /nfs/dbraw/zinc/92/02/12/1210920212.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 1 361.490 0.893 20 0 FCADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920215 /nfs/dbraw/zinc/92/02/15/1210920215.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 1 361.490 0.893 20 0 FCADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920217 /nfs/dbraw/zinc/92/02/17/1210920217.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 1 361.490 0.893 20 0 FCADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134910 1210968166 /nfs/dbraw/zinc/96/81/66/1210968166.db2.gz VQFUVRKMEDSTJC-GOSISDBHSA-N 2 1 365.522 0.344 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890134910 1210968169 /nfs/dbraw/zinc/96/81/69/1210968169.db2.gz VQFUVRKMEDSTJC-GOSISDBHSA-N 2 1 365.522 0.344 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134910 1210968171 /nfs/dbraw/zinc/96/81/71/1210968171.db2.gz VQFUVRKMEDSTJC-GOSISDBHSA-N 2 1 365.522 0.344 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397815 1211044187 /nfs/dbraw/zinc/04/41/87/1211044187.db2.gz TVTVZBZYTBBPSM-KSZLIROESA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+]1CC[C@H](C(=O)N2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397815 1211044189 /nfs/dbraw/zinc/04/41/89/1211044189.db2.gz TVTVZBZYTBBPSM-KSZLIROESA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+]1CC[C@H](C(=O)N2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397815 1211044193 /nfs/dbraw/zinc/04/41/93/1211044193.db2.gz TVTVZBZYTBBPSM-KSZLIROESA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397059 1211044234 /nfs/dbraw/zinc/04/42/34/1211044234.db2.gz MQYRGYBELHXPNU-AZUAARDMSA-N 2 1 366.550 0.972 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397062 1211044358 /nfs/dbraw/zinc/04/43/58/1211044358.db2.gz MQYRGYBELHXPNU-UYAOXDASSA-N 2 1 366.550 0.972 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2CC1 ZINC001274419194 1211049918 /nfs/dbraw/zinc/04/99/18/1211049918.db2.gz QZSYSIQRQOTBIJ-FGTMMUONSA-N 2 1 362.518 0.587 20 0 FCADMP CN1CC[NH+](CCCC(=O)N2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001274515408 1211071695 /nfs/dbraw/zinc/07/16/95/1211071695.db2.gz PNDVGSJRIRWSLC-KDURUIRLSA-N 2 1 364.534 0.868 20 0 FCADMP C[NH+]1CCN(CCCC(=O)N2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001274515408 1211071698 /nfs/dbraw/zinc/07/16/98/1211071698.db2.gz PNDVGSJRIRWSLC-KDURUIRLSA-N 2 1 364.534 0.868 20 0 FCADMP C[NH+]1CCN(CCCC(=O)N2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001274515408 1211071701 /nfs/dbraw/zinc/07/17/01/1211071701.db2.gz PNDVGSJRIRWSLC-KDURUIRLSA-N 2 1 364.534 0.868 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC001221188558 1225260849 /nfs/dbraw/zinc/26/08/49/1225260849.db2.gz XMXDQHXHDKXIGJ-IRXDYDNUSA-N 2 1 362.474 0.247 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC001221188558 1225260852 /nfs/dbraw/zinc/26/08/52/1225260852.db2.gz XMXDQHXHDKXIGJ-IRXDYDNUSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143003 1211179310 /nfs/dbraw/zinc/17/93/10/1211179310.db2.gz QLKNPXQSKTYUNN-AZUAARDMSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143003 1211179312 /nfs/dbraw/zinc/17/93/12/1211179312.db2.gz QLKNPXQSKTYUNN-AZUAARDMSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143003 1211179315 /nfs/dbraw/zinc/17/93/15/1211179315.db2.gz QLKNPXQSKTYUNN-AZUAARDMSA-N 2 1 364.534 0.585 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286686897 1211204276 /nfs/dbraw/zinc/20/42/76/1211204276.db2.gz BWHKAQHZVZNUTD-CYBMUJFWSA-N 2 1 364.494 0.291 20 0 FCADMP Cn1ccc(CN2CCC[C@@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)n1 ZINC001275362918 1211222658 /nfs/dbraw/zinc/22/26/58/1211222658.db2.gz OEAQTZHVCBTTRF-GOSISDBHSA-N 2 1 356.430 0.658 20 0 FCADMP COc1cccnc1C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275380237 1211226547 /nfs/dbraw/zinc/22/65/47/1211226547.db2.gz PELCFUPEDYIOPV-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001275444426 1211239047 /nfs/dbraw/zinc/23/90/47/1211239047.db2.gz XVCMFURQODMWFN-GOSISDBHSA-N 2 1 362.430 0.456 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275444426 1211239050 /nfs/dbraw/zinc/23/90/50/1211239050.db2.gz XVCMFURQODMWFN-GOSISDBHSA-N 2 1 362.430 0.456 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447693 1211239079 /nfs/dbraw/zinc/23/90/79/1211239079.db2.gz NABQJOCEWXRCIN-LJQANCHMSA-N 2 1 359.474 0.835 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447693 1211239080 /nfs/dbraw/zinc/23/90/80/1211239080.db2.gz NABQJOCEWXRCIN-LJQANCHMSA-N 2 1 359.474 0.835 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001275455227 1211241156 /nfs/dbraw/zinc/24/11/56/1211241156.db2.gz HAWOSAMKDQXKGZ-MAUKXSAKSA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455227 1211241159 /nfs/dbraw/zinc/24/11/59/1211241159.db2.gz HAWOSAMKDQXKGZ-MAUKXSAKSA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455227 1211241163 /nfs/dbraw/zinc/24/11/63/1211241163.db2.gz HAWOSAMKDQXKGZ-MAUKXSAKSA-N 2 1 362.430 0.107 20 0 FCADMP Nc1ccncc1C[N@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275455178 1211241176 /nfs/dbraw/zinc/24/11/76/1211241176.db2.gz GMAREHWDNNGXNN-IBGZPJMESA-N 2 1 359.474 0.251 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275455178 1211241178 /nfs/dbraw/zinc/24/11/78/1211241178.db2.gz GMAREHWDNNGXNN-IBGZPJMESA-N 2 1 359.474 0.251 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275455178 1211241180 /nfs/dbraw/zinc/24/11/80/1211241180.db2.gz GMAREHWDNNGXNN-IBGZPJMESA-N 2 1 359.474 0.251 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccn4ccnc4c3)C2)OCC1=O ZINC001275456801 1211243275 /nfs/dbraw/zinc/24/32/75/1211243275.db2.gz KXEZVJODJQVAGE-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275500837 1211251429 /nfs/dbraw/zinc/25/14/29/1211251429.db2.gz SIEIDWQTQMGVAW-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275512145 1211252535 /nfs/dbraw/zinc/25/25/35/1211252535.db2.gz PYEKMJOBRSEPRT-LJQANCHMSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275512145 1211252538 /nfs/dbraw/zinc/25/25/38/1211252538.db2.gz PYEKMJOBRSEPRT-LJQANCHMSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001275590143 1211261519 /nfs/dbraw/zinc/26/15/19/1211261519.db2.gz RYWBIGSAJUFSIH-LJQANCHMSA-N 2 1 361.490 0.513 20 0 FCADMP COc1cc(O)ccc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275704668 1211273707 /nfs/dbraw/zinc/27/37/07/1211273707.db2.gz VDMNLDFJQDGCRF-IBGZPJMESA-N 2 1 363.458 0.766 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275737395 1211278926 /nfs/dbraw/zinc/27/89/26/1211278926.db2.gz KGPQEUYVKFTWNW-IBGZPJMESA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275751233 1211280777 /nfs/dbraw/zinc/28/07/77/1211280777.db2.gz ZBMLGOCUGAUFDX-UHFFFAOYSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789660 1211283904 /nfs/dbraw/zinc/28/39/04/1211283904.db2.gz JAQMXZFMBQKAKH-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789660 1211283905 /nfs/dbraw/zinc/28/39/05/1211283905.db2.gz JAQMXZFMBQKAKH-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789660 1211283906 /nfs/dbraw/zinc/28/39/06/1211283906.db2.gz JAQMXZFMBQKAKH-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877556 1211303719 /nfs/dbraw/zinc/30/37/19/1211303719.db2.gz DAJKVWFRDKKVFA-VQIMIIECSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877556 1211303722 /nfs/dbraw/zinc/30/37/22/1211303722.db2.gz DAJKVWFRDKKVFA-VQIMIIECSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877556 1211303724 /nfs/dbraw/zinc/30/37/24/1211303724.db2.gz DAJKVWFRDKKVFA-VQIMIIECSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877556 1211303726 /nfs/dbraw/zinc/30/37/26/1211303726.db2.gz DAJKVWFRDKKVFA-VQIMIIECSA-N 2 1 367.490 0.790 20 0 FCADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001095419280 1211331770 /nfs/dbraw/zinc/33/17/70/1211331770.db2.gz XVPLABPOJSVOMU-BDXSIMOUSA-N 2 1 360.502 0.671 20 0 FCADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001095419280 1211331772 /nfs/dbraw/zinc/33/17/72/1211331772.db2.gz XVPLABPOJSVOMU-BDXSIMOUSA-N 2 1 360.502 0.671 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371304405 1211335461 /nfs/dbraw/zinc/33/54/61/1211335461.db2.gz SZDGAGWQIYGIIH-OKZBNKHCSA-N 2 1 367.538 0.375 20 0 FCADMP CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001276181372 1211374898 /nfs/dbraw/zinc/37/48/98/1211374898.db2.gz WKAJEPFIEXGDBX-IBGZPJMESA-N 2 1 363.506 0.885 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001095685526 1211446999 /nfs/dbraw/zinc/44/69/99/1211446999.db2.gz KTABDWUEEXUSMD-BDXSIMOUSA-N 2 1 373.501 0.594 20 0 FCADMP CC(C)[C@@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)N1CC[NH+](C)CC1 ZINC000924457076 1211470297 /nfs/dbraw/zinc/47/02/97/1211470297.db2.gz PIBISLPDWDWJGH-DLBZAZTESA-N 2 1 365.522 0.665 20 0 FCADMP CN1CC[NH+](Cc2ccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)cc2)CC1 ZINC000925276642 1211494482 /nfs/dbraw/zinc/49/44/82/1211494482.db2.gz PQUVXYCDMITQII-KRWDZBQOSA-N 2 1 359.474 0.416 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347192 1211536441 /nfs/dbraw/zinc/53/64/41/1211536441.db2.gz DFECZISULAPIJN-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926368897 1211540845 /nfs/dbraw/zinc/54/08/45/1211540845.db2.gz YCMYERRFLSYHBD-LISAXSMJSA-N 2 1 360.502 0.530 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000926442619 1211549439 /nfs/dbraw/zinc/54/94/39/1211549439.db2.gz ILAQODBHJQBTLG-INIZCTEOSA-N 2 1 368.522 0.532 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000926442619 1211549450 /nfs/dbraw/zinc/54/94/50/1211549450.db2.gz ILAQODBHJQBTLG-INIZCTEOSA-N 2 1 368.522 0.532 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000926442620 1211549566 /nfs/dbraw/zinc/54/95/66/1211549566.db2.gz ILAQODBHJQBTLG-MRXNPFEDSA-N 2 1 368.522 0.532 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000926442620 1211549569 /nfs/dbraw/zinc/54/95/69/1211549569.db2.gz ILAQODBHJQBTLG-MRXNPFEDSA-N 2 1 368.522 0.532 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(c2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1=O ZINC000927190380 1211565945 /nfs/dbraw/zinc/56/59/45/1211565945.db2.gz CHGVXPYCOKUURI-LSDHHAIUSA-N 2 1 359.430 0.123 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(c2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1=O ZINC000927190380 1211565951 /nfs/dbraw/zinc/56/59/51/1211565951.db2.gz CHGVXPYCOKUURI-LSDHHAIUSA-N 2 1 359.430 0.123 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(c2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1=O ZINC000927190379 1211566262 /nfs/dbraw/zinc/56/62/62/1211566262.db2.gz CHGVXPYCOKUURI-HUUCEWRRSA-N 2 1 359.430 0.123 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(c2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1=O ZINC000927190379 1211566263 /nfs/dbraw/zinc/56/62/63/1211566263.db2.gz CHGVXPYCOKUURI-HUUCEWRRSA-N 2 1 359.430 0.123 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000927648398 1211579087 /nfs/dbraw/zinc/57/90/87/1211579087.db2.gz KCFZSQRKENTOCL-KSZLIROESA-N 2 1 366.506 0.480 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000927883250 1211590097 /nfs/dbraw/zinc/59/00/97/1211590097.db2.gz OYDNNJTYHTUKOY-MRXNPFEDSA-N 2 1 373.501 0.964 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000929356762 1211632824 /nfs/dbraw/zinc/63/28/24/1211632824.db2.gz ZXGNRYBVWWAXQB-QGZVFWFLSA-N 2 1 362.449 0.727 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000929356762 1211632828 /nfs/dbraw/zinc/63/28/28/1211632828.db2.gz ZXGNRYBVWWAXQB-QGZVFWFLSA-N 2 1 362.449 0.727 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882693 1211669236 /nfs/dbraw/zinc/66/92/36/1211669236.db2.gz WCBDQTJAFROOHQ-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000929882693 1211669242 /nfs/dbraw/zinc/66/92/42/1211669242.db2.gz WCBDQTJAFROOHQ-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000929882693 1211669246 /nfs/dbraw/zinc/66/92/46/1211669246.db2.gz WCBDQTJAFROOHQ-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000929882693 1211669254 /nfs/dbraw/zinc/66/92/54/1211669254.db2.gz WCBDQTJAFROOHQ-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000930973442 1211732587 /nfs/dbraw/zinc/73/25/87/1211732587.db2.gz WIOHORQQYOFZDO-KRWDZBQOSA-N 2 1 359.474 0.230 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000931021318 1211735316 /nfs/dbraw/zinc/73/53/16/1211735316.db2.gz HCCOUGNQMPQRCM-MRXNPFEDSA-N 2 1 366.506 0.204 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000931021316 1211735538 /nfs/dbraw/zinc/73/55/38/1211735538.db2.gz HCCOUGNQMPQRCM-INIZCTEOSA-N 2 1 366.506 0.204 20 0 FCADMP CN(C)[C@@H]1[C@H]2C[N@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@H]21 ZINC000931280645 1211749019 /nfs/dbraw/zinc/74/90/19/1211749019.db2.gz HKJVNCRYLBVVPP-NHAGDIPZSA-N 2 1 363.462 0.154 20 0 FCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@H]21 ZINC000931280645 1211749021 /nfs/dbraw/zinc/74/90/21/1211749021.db2.gz HKJVNCRYLBVVPP-NHAGDIPZSA-N 2 1 363.462 0.154 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931610321 1211763460 /nfs/dbraw/zinc/76/34/60/1211763460.db2.gz NZQSOERFUSUXAY-WBVHZDCISA-N 2 1 359.474 0.849 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876256 1211777673 /nfs/dbraw/zinc/77/76/73/1211777673.db2.gz XRTMOXKVIJHAGF-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931876256 1211777675 /nfs/dbraw/zinc/77/76/75/1211777675.db2.gz XRTMOXKVIJHAGF-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931876256 1211777681 /nfs/dbraw/zinc/77/76/81/1211777681.db2.gz XRTMOXKVIJHAGF-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931876256 1211777684 /nfs/dbraw/zinc/77/76/84/1211777684.db2.gz XRTMOXKVIJHAGF-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931883878 1211779629 /nfs/dbraw/zinc/77/96/29/1211779629.db2.gz VKRUAIZADINFRI-GOSISDBHSA-N 2 1 373.501 0.967 20 0 FCADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931883878 1211779633 /nfs/dbraw/zinc/77/96/33/1211779633.db2.gz VKRUAIZADINFRI-GOSISDBHSA-N 2 1 373.501 0.967 20 0 FCADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931887402 1211780295 /nfs/dbraw/zinc/78/02/95/1211780295.db2.gz SBIGFVBKGNBNLI-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931887402 1211780296 /nfs/dbraw/zinc/78/02/96/1211780296.db2.gz SBIGFVBKGNBNLI-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931887402 1211780298 /nfs/dbraw/zinc/78/02/98/1211780298.db2.gz SBIGFVBKGNBNLI-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931887402 1211780301 /nfs/dbraw/zinc/78/03/01/1211780301.db2.gz SBIGFVBKGNBNLI-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP CC(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021411 1211789429 /nfs/dbraw/zinc/78/94/29/1211789429.db2.gz SRIQXQKQIMMCSE-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021411 1211789434 /nfs/dbraw/zinc/78/94/34/1211789434.db2.gz SRIQXQKQIMMCSE-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021411 1211789437 /nfs/dbraw/zinc/78/94/37/1211789437.db2.gz SRIQXQKQIMMCSE-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021411 1211789438 /nfs/dbraw/zinc/78/94/38/1211789438.db2.gz SRIQXQKQIMMCSE-HZMVEIRTSA-N 2 1 365.522 0.757 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]c1 ZINC000932805268 1211822805 /nfs/dbraw/zinc/82/28/05/1211822805.db2.gz WLEOFXKNHYZNTI-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]c1 ZINC000932805268 1211822807 /nfs/dbraw/zinc/82/28/07/1211822807.db2.gz WLEOFXKNHYZNTI-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000932812891 1211823232 /nfs/dbraw/zinc/82/32/32/1211823232.db2.gz SNOVZRWHAAVJLO-INIZCTEOSA-N 2 1 359.474 0.862 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935365658 1211876759 /nfs/dbraw/zinc/87/67/59/1211876759.db2.gz KBTIIRJHLLPJGO-GVDBMIGSSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935365658 1211876763 /nfs/dbraw/zinc/87/67/63/1211876763.db2.gz KBTIIRJHLLPJGO-GVDBMIGSSA-N 2 1 368.522 0.325 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001111161718 1211906853 /nfs/dbraw/zinc/90/68/53/1211906853.db2.gz YNYDDVRSJWADCS-KFWWJZLASA-N 2 1 367.494 0.415 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000968631483 1212056143 /nfs/dbraw/zinc/05/61/43/1212056143.db2.gz GFQBUEPALULXPZ-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000947968824 1212105943 /nfs/dbraw/zinc/10/59/43/1212105943.db2.gz PHOSOEYJWRCBJJ-UNEWFSDZSA-N 2 1 359.474 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC000968738477 1212106747 /nfs/dbraw/zinc/10/67/47/1212106747.db2.gz WJDPXCCCQIFWRH-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC000968738477 1212106753 /nfs/dbraw/zinc/10/67/53/1212106753.db2.gz WJDPXCCCQIFWRH-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417552 1212171806 /nfs/dbraw/zinc/17/18/06/1212171806.db2.gz FDKJJIBAKCVWSQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417552 1212171812 /nfs/dbraw/zinc/17/18/12/1212171812.db2.gz FDKJJIBAKCVWSQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417552 1212171814 /nfs/dbraw/zinc/17/18/14/1212171814.db2.gz FDKJJIBAKCVWSQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417552 1212171818 /nfs/dbraw/zinc/17/18/18/1212171818.db2.gz FDKJJIBAKCVWSQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000948541685 1212196791 /nfs/dbraw/zinc/19/67/91/1212196791.db2.gz ICWXYQZELNMDNJ-KBAYOESNSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000948541685 1212196794 /nfs/dbraw/zinc/19/67/94/1212196794.db2.gz ICWXYQZELNMDNJ-KBAYOESNSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cnn(C)c3)CC2)O1 ZINC000948541685 1212196796 /nfs/dbraw/zinc/19/67/96/1212196796.db2.gz ICWXYQZELNMDNJ-KBAYOESNSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)CC2)O1 ZINC000948541685 1212196799 /nfs/dbraw/zinc/19/67/99/1212196799.db2.gz ICWXYQZELNMDNJ-KBAYOESNSA-N 2 1 363.506 0.952 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281603 1212232895 /nfs/dbraw/zinc/23/28/95/1212232895.db2.gz ZJYAXUDDBZPBAZ-HZMVEIRTSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281603 1212232899 /nfs/dbraw/zinc/23/28/99/1212232899.db2.gz ZJYAXUDDBZPBAZ-HZMVEIRTSA-N 2 1 368.522 0.447 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969028028 1212234553 /nfs/dbraw/zinc/23/45/53/1212234553.db2.gz OXURZEMMVQMQNE-ARFHVFGLSA-N 2 1 361.490 0.973 20 0 FCADMP CN(C)C(=O)CN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969028028 1212234556 /nfs/dbraw/zinc/23/45/56/1212234556.db2.gz OXURZEMMVQMQNE-ARFHVFGLSA-N 2 1 361.490 0.973 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543637 1225359531 /nfs/dbraw/zinc/35/95/31/1225359531.db2.gz BHELDLCWRYVTAS-KZNAEPCWSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543637 1225359533 /nfs/dbraw/zinc/35/95/33/1225359533.db2.gz BHELDLCWRYVTAS-KZNAEPCWSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543637 1225359535 /nfs/dbraw/zinc/35/95/35/1225359535.db2.gz BHELDLCWRYVTAS-KZNAEPCWSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543637 1225359540 /nfs/dbraw/zinc/35/95/40/1225359540.db2.gz BHELDLCWRYVTAS-KZNAEPCWSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543636 1225360165 /nfs/dbraw/zinc/36/01/65/1225360165.db2.gz BHELDLCWRYVTAS-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543636 1225360170 /nfs/dbraw/zinc/36/01/70/1225360170.db2.gz BHELDLCWRYVTAS-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543636 1225360175 /nfs/dbraw/zinc/36/01/75/1225360175.db2.gz BHELDLCWRYVTAS-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221543636 1225360179 /nfs/dbraw/zinc/36/01/79/1225360179.db2.gz BHELDLCWRYVTAS-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001111297599 1212479748 /nfs/dbraw/zinc/47/97/48/1212479748.db2.gz LOJYNOBZQJMLLL-TVFCKZIOSA-N 2 1 363.506 0.697 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626523 1212541635 /nfs/dbraw/zinc/54/16/35/1212541635.db2.gz YIGMVYHHMCZWCQ-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626523 1212541637 /nfs/dbraw/zinc/54/16/37/1212541637.db2.gz YIGMVYHHMCZWCQ-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626523 1212541639 /nfs/dbraw/zinc/54/16/39/1212541639.db2.gz YIGMVYHHMCZWCQ-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626523 1212541644 /nfs/dbraw/zinc/54/16/44/1212541644.db2.gz YIGMVYHHMCZWCQ-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001007692183 1212554965 /nfs/dbraw/zinc/55/49/65/1212554965.db2.gz JPRBAKVRBKWVPO-ZWOKBUDYSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](C[C@@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC000950370579 1212562322 /nfs/dbraw/zinc/56/23/22/1212562322.db2.gz BZAFMZKCCGPHRP-FGTMMUONSA-N 2 1 363.506 0.507 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](C[C@@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC000950370579 1212562324 /nfs/dbraw/zinc/56/23/24/1212562324.db2.gz BZAFMZKCCGPHRP-FGTMMUONSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001008358744 1212684478 /nfs/dbraw/zinc/68/44/78/1212684478.db2.gz XVKOCSZSRGMLCP-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001095921349 1212755336 /nfs/dbraw/zinc/75/53/36/1212755336.db2.gz PNNMXEZJUXDKFH-KSWRQPAISA-N 2 1 363.506 0.463 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001095921349 1212755342 /nfs/dbraw/zinc/75/53/42/1212755342.db2.gz PNNMXEZJUXDKFH-KSWRQPAISA-N 2 1 363.506 0.463 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001095921349 1212755345 /nfs/dbraw/zinc/75/53/45/1212755345.db2.gz PNNMXEZJUXDKFH-KSWRQPAISA-N 2 1 363.506 0.463 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC[N@H+]1C ZINC000951357179 1212817530 /nfs/dbraw/zinc/81/75/30/1212817530.db2.gz GWFLYUQROHAUSJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000951357179 1212817532 /nfs/dbraw/zinc/81/75/32/1212817532.db2.gz GWFLYUQROHAUSJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000951357179 1212817535 /nfs/dbraw/zinc/81/75/35/1212817535.db2.gz GWFLYUQROHAUSJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000951420809 1212825742 /nfs/dbraw/zinc/82/57/42/1212825742.db2.gz AJUVDPBHGPVOSB-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001009278507 1212830580 /nfs/dbraw/zinc/83/05/80/1212830580.db2.gz ARFLDDFEXACQCX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276824106 1225417035 /nfs/dbraw/zinc/41/70/35/1225417035.db2.gz LQRGBHFUVVUJJY-AZUAARDMSA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824106 1225417038 /nfs/dbraw/zinc/41/70/38/1225417038.db2.gz LQRGBHFUVVUJJY-AZUAARDMSA-N 2 1 366.550 0.708 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276824106 1225417043 /nfs/dbraw/zinc/41/70/43/1225417043.db2.gz LQRGBHFUVVUJJY-AZUAARDMSA-N 2 1 366.550 0.708 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCc4nccn43)C2)CC[N@H+]1C ZINC000954510760 1213080585 /nfs/dbraw/zinc/08/05/85/1213080585.db2.gz DNECUEZLCCUVDB-FVQBIDKESA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000954510760 1213080587 /nfs/dbraw/zinc/08/05/87/1213080587.db2.gz DNECUEZLCCUVDB-FVQBIDKESA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000954510760 1213080591 /nfs/dbraw/zinc/08/05/91/1213080591.db2.gz DNECUEZLCCUVDB-FVQBIDKESA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000954812339 1213111902 /nfs/dbraw/zinc/11/19/02/1213111902.db2.gz NYNZYNLWDRCDPO-ZTFGCOKTSA-N 2 1 362.518 0.870 20 0 FCADMP CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1[NH3+] ZINC000641802080 1213215824 /nfs/dbraw/zinc/21/58/24/1213215824.db2.gz HSFJXYSRAIGCRM-ZWKOTPCHSA-N 2 1 360.502 0.850 20 0 FCADMP CC1(C)[C@H]([NH2+]CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000641806436 1213216258 /nfs/dbraw/zinc/21/62/58/1213216258.db2.gz PNLFGRCYZQBWIA-DLBZAZTESA-N 2 1 374.485 0.491 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796615 1213216261 /nfs/dbraw/zinc/21/62/61/1213216261.db2.gz DNJJAUOPXMSDSF-IRXDYDNUSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641796615 1213216263 /nfs/dbraw/zinc/21/62/63/1213216263.db2.gz DNJJAUOPXMSDSF-IRXDYDNUSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641796615 1213216265 /nfs/dbraw/zinc/21/62/65/1213216265.db2.gz DNJJAUOPXMSDSF-IRXDYDNUSA-N 2 1 365.522 0.319 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000641806043 1213216272 /nfs/dbraw/zinc/21/62/72/1213216272.db2.gz BCSWVIXHGOAVSF-SQNIBIBYSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806043 1213216274 /nfs/dbraw/zinc/21/62/74/1213216274.db2.gz BCSWVIXHGOAVSF-SQNIBIBYSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806043 1213216275 /nfs/dbraw/zinc/21/62/75/1213216275.db2.gz BCSWVIXHGOAVSF-SQNIBIBYSA-N 2 1 367.538 0.565 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000641802078 1213216329 /nfs/dbraw/zinc/21/63/29/1213216329.db2.gz HSFJXYSRAIGCRM-QZTJIDSGSA-N 2 1 360.502 0.850 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957159658 1213266882 /nfs/dbraw/zinc/26/68/82/1213266882.db2.gz ABHYVDWUWGWPHL-IDHHARJASA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957159658 1213266890 /nfs/dbraw/zinc/26/68/90/1213266890.db2.gz ABHYVDWUWGWPHL-IDHHARJASA-N 2 1 366.506 0.155 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763994 1225472192 /nfs/dbraw/zinc/47/21/92/1225472192.db2.gz OQVFQRBDMFAGMN-KZNAEPCWSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763994 1225472196 /nfs/dbraw/zinc/47/21/96/1225472196.db2.gz OQVFQRBDMFAGMN-KZNAEPCWSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763994 1225472202 /nfs/dbraw/zinc/47/22/02/1225472202.db2.gz OQVFQRBDMFAGMN-KZNAEPCWSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763994 1225472205 /nfs/dbraw/zinc/47/22/05/1225472205.db2.gz OQVFQRBDMFAGMN-KZNAEPCWSA-N 2 1 369.506 0.291 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)c(C)n1 ZINC000960521831 1213800922 /nfs/dbraw/zinc/80/09/22/1213800922.db2.gz ACUSUSYZAPDNHK-SFKBXODTSA-N 2 1 358.486 0.964 20 0 FCADMP Cc1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)n1 ZINC000960521831 1213800932 /nfs/dbraw/zinc/80/09/32/1213800932.db2.gz ACUSUSYZAPDNHK-SFKBXODTSA-N 2 1 358.486 0.964 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c(C)n1 ZINC000960521831 1213800935 /nfs/dbraw/zinc/80/09/35/1213800935.db2.gz ACUSUSYZAPDNHK-SFKBXODTSA-N 2 1 358.486 0.964 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c(C)n1 ZINC000960521831 1213800936 /nfs/dbraw/zinc/80/09/36/1213800936.db2.gz ACUSUSYZAPDNHK-SFKBXODTSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]32)O1 ZINC000960525717 1213802696 /nfs/dbraw/zinc/80/26/96/1213802696.db2.gz KPMAOHCVNVCNSZ-RHFUSZHNSA-N 2 1 371.481 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]32)O1 ZINC000960525717 1213802699 /nfs/dbraw/zinc/80/26/99/1213802699.db2.gz KPMAOHCVNVCNSZ-RHFUSZHNSA-N 2 1 371.481 0.982 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc5c(c4)COC5)C[C@H]32)O1 ZINC000960525717 1213802701 /nfs/dbraw/zinc/80/27/01/1213802701.db2.gz KPMAOHCVNVCNSZ-RHFUSZHNSA-N 2 1 371.481 0.982 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc5c(c4)COC5)C[C@H]32)O1 ZINC000960525717 1213802705 /nfs/dbraw/zinc/80/27/05/1213802705.db2.gz KPMAOHCVNVCNSZ-RHFUSZHNSA-N 2 1 371.481 0.982 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cc1 ZINC000960530598 1213806338 /nfs/dbraw/zinc/80/63/38/1213806338.db2.gz WAZMPHFWCGXPSB-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cc1 ZINC000960530598 1213806340 /nfs/dbraw/zinc/80/63/40/1213806340.db2.gz WAZMPHFWCGXPSB-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP COc1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC000960530598 1213806343 /nfs/dbraw/zinc/80/63/43/1213806343.db2.gz WAZMPHFWCGXPSB-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP COc1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC000960530598 1213806344 /nfs/dbraw/zinc/80/63/44/1213806344.db2.gz WAZMPHFWCGXPSB-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001221791396 1225482640 /nfs/dbraw/zinc/48/26/40/1225482640.db2.gz JIPFGVXXRQDPAZ-HUUCEWRRSA-N 2 1 363.510 0.455 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001221791396 1225482645 /nfs/dbraw/zinc/48/26/45/1225482645.db2.gz JIPFGVXXRQDPAZ-HUUCEWRRSA-N 2 1 363.510 0.455 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@H+]1C ZINC001011177948 1213838012 /nfs/dbraw/zinc/83/80/12/1213838012.db2.gz FQABYARKWHWTCB-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CCC[NH+]2C)C3)CC[N@H+]1C ZINC001013979415 1213913847 /nfs/dbraw/zinc/91/38/47/1213913847.db2.gz GRWHDUOHFMXAFZ-DDFPFOKPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CCC[N@@H+]2C)C3)CC[NH+]1C ZINC001013979415 1213913849 /nfs/dbraw/zinc/91/38/49/1213913849.db2.gz GRWHDUOHFMXAFZ-DDFPFOKPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2CCC[N@H+]2C)C3)CC[NH+]1C ZINC001013979415 1213913851 /nfs/dbraw/zinc/91/38/51/1213913851.db2.gz GRWHDUOHFMXAFZ-DDFPFOKPSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001016577656 1214019184 /nfs/dbraw/zinc/01/91/84/1214019184.db2.gz IRLKYMRZVSELAY-SJJHQCBESA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825631 1225505011 /nfs/dbraw/zinc/50/50/11/1225505011.db2.gz WIXQYOUETYDHCO-AZUAARDMSA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825631 1225505017 /nfs/dbraw/zinc/50/50/17/1225505017.db2.gz WIXQYOUETYDHCO-AZUAARDMSA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825631 1225505022 /nfs/dbraw/zinc/50/50/22/1225505022.db2.gz WIXQYOUETYDHCO-AZUAARDMSA-N 2 1 366.550 0.565 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC(N)=O)C3)CC2)O1 ZINC000961377971 1214173261 /nfs/dbraw/zinc/17/32/61/1214173261.db2.gz IZOFXANKJBAAOH-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC(N)=O)C3)CC2)O1 ZINC000961377971 1214173267 /nfs/dbraw/zinc/17/32/67/1214173267.db2.gz IZOFXANKJBAAOH-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)O1 ZINC000961377971 1214173270 /nfs/dbraw/zinc/17/32/70/1214173270.db2.gz IZOFXANKJBAAOH-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)O1 ZINC000961377971 1214173274 /nfs/dbraw/zinc/17/32/74/1214173274.db2.gz IZOFXANKJBAAOH-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)CC[NH+]1C ZINC001019071605 1214192155 /nfs/dbraw/zinc/19/21/55/1214192155.db2.gz RIMWZAWEMIBELQ-QBPKDAKJSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)CC[NH+]1C ZINC001019071605 1214192160 /nfs/dbraw/zinc/19/21/60/1214192160.db2.gz RIMWZAWEMIBELQ-QBPKDAKJSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)CC[NH+]1C ZINC001019071605 1214192166 /nfs/dbraw/zinc/19/21/66/1214192166.db2.gz RIMWZAWEMIBELQ-QBPKDAKJSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001019207867 1214217420 /nfs/dbraw/zinc/21/74/20/1214217420.db2.gz XRYMVQDGRHLXQV-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019207867 1214217428 /nfs/dbraw/zinc/21/74/28/1214217428.db2.gz XRYMVQDGRHLXQV-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019207867 1214217435 /nfs/dbraw/zinc/21/74/35/1214217435.db2.gz XRYMVQDGRHLXQV-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872082 1225516043 /nfs/dbraw/zinc/51/60/43/1225516043.db2.gz QEQQPHSMZOQAHO-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872082 1225516047 /nfs/dbraw/zinc/51/60/47/1225516047.db2.gz QEQQPHSMZOQAHO-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001020175526 1214316180 /nfs/dbraw/zinc/31/61/80/1214316180.db2.gz UJUCWCNDYFHSPR-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNCc3noc(C4CC4)n3)C2)O1 ZINC000961988313 1214393032 /nfs/dbraw/zinc/39/30/32/1214393032.db2.gz HAJQGBYQUNCKKF-BNQIPGGESA-N 2 1 363.462 0.651 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNCc3noc(C4CC4)n3)C2)O1 ZINC000961988313 1214393040 /nfs/dbraw/zinc/39/30/40/1214393040.db2.gz HAJQGBYQUNCKKF-BNQIPGGESA-N 2 1 363.462 0.651 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040182891 1214472770 /nfs/dbraw/zinc/47/27/70/1214472770.db2.gz WFPUEJFMQPCOEJ-SPYBWZPUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040182891 1214472774 /nfs/dbraw/zinc/47/27/74/1214472774.db2.gz WFPUEJFMQPCOEJ-SPYBWZPUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040182891 1214472779 /nfs/dbraw/zinc/47/27/79/1214472779.db2.gz WFPUEJFMQPCOEJ-SPYBWZPUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921974 1225535541 /nfs/dbraw/zinc/53/55/41/1225535541.db2.gz SZUFVDIVMKHJCZ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921974 1225535545 /nfs/dbraw/zinc/53/55/45/1225535545.db2.gz SZUFVDIVMKHJCZ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921974 1225535550 /nfs/dbraw/zinc/53/55/50/1225535550.db2.gz SZUFVDIVMKHJCZ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921974 1225535555 /nfs/dbraw/zinc/53/55/55/1225535555.db2.gz SZUFVDIVMKHJCZ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cn(C)nn2)CC3)CC[N@@H+]1C ZINC001040707438 1214570826 /nfs/dbraw/zinc/57/08/26/1214570826.db2.gz BVOXYKNCTYJENJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cn(C)nn2)CC3)CC[N@H+]1C ZINC001040707438 1214570834 /nfs/dbraw/zinc/57/08/34/1214570834.db2.gz BVOXYKNCTYJENJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001040720027 1214573122 /nfs/dbraw/zinc/57/31/22/1214573122.db2.gz ZWGXHPROZMSCIV-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)ccn1 ZINC001221946749 1225546461 /nfs/dbraw/zinc/54/64/61/1225546461.db2.gz AJNBWSXBVHGOTO-IAGOWNOFSA-N 2 1 362.474 0.701 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)ccn1 ZINC001221946749 1225546463 /nfs/dbraw/zinc/54/64/63/1225546463.db2.gz AJNBWSXBVHGOTO-IAGOWNOFSA-N 2 1 362.474 0.701 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945800 1225546513 /nfs/dbraw/zinc/54/65/13/1225546513.db2.gz ZRRKJFGCNJBOAN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945800 1225546516 /nfs/dbraw/zinc/54/65/16/1225546516.db2.gz ZRRKJFGCNJBOAN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945800 1225546519 /nfs/dbraw/zinc/54/65/19/1225546519.db2.gz ZRRKJFGCNJBOAN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945800 1225546521 /nfs/dbraw/zinc/54/65/21/1225546521.db2.gz ZRRKJFGCNJBOAN-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221958206 1225553165 /nfs/dbraw/zinc/55/31/65/1225553165.db2.gz KUTHSOXJIBRPIX-HZPDHXFCSA-N 2 1 364.490 0.400 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221958259 1225553327 /nfs/dbraw/zinc/55/33/27/1225553327.db2.gz MTJGFLUHLOKYOY-KZNAEPCWSA-N 2 1 363.506 0.509 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962593 1225554293 /nfs/dbraw/zinc/55/42/93/1225554293.db2.gz LVIMOFOVDKZSPJ-QZTJIDSGSA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]Cc3nnn(C)n3)CC2)CC[N@@H+]1C ZINC000963338201 1214797923 /nfs/dbraw/zinc/79/79/23/1214797923.db2.gz SNXWIZKUDYUHNB-SSHXOBKSSA-N 2 1 363.510 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]Cc3nnn(C)n3)CC2)CC[N@H+]1C ZINC000963338201 1214797929 /nfs/dbraw/zinc/79/79/29/1214797929.db2.gz SNXWIZKUDYUHNB-SSHXOBKSSA-N 2 1 363.510 0.800 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221969098 1225556635 /nfs/dbraw/zinc/55/66/35/1225556635.db2.gz QEULQKKTGZVCNE-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221969098 1225556639 /nfs/dbraw/zinc/55/66/39/1225556639.db2.gz QEULQKKTGZVCNE-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221969098 1225556644 /nfs/dbraw/zinc/55/66/44/1225556644.db2.gz QEULQKKTGZVCNE-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCN2CCCC2=O)C3)CC[N@H+]1C ZINC000963823429 1214859057 /nfs/dbraw/zinc/85/90/57/1214859057.db2.gz KBOKWTMBMMVHKM-FUNFLYJBSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cncn2C)C3)O1 ZINC000964030436 1214890928 /nfs/dbraw/zinc/89/09/28/1214890928.db2.gz NDGIUCGVVYGOMK-MINFOYKESA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cncn2C)C3)O1 ZINC000964030436 1214890933 /nfs/dbraw/zinc/89/09/33/1214890933.db2.gz NDGIUCGVVYGOMK-MINFOYKESA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000964237827 1214925340 /nfs/dbraw/zinc/92/53/40/1214925340.db2.gz PSOQUPRCZVAYFZ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964925229 1215005507 /nfs/dbraw/zinc/00/55/07/1215005507.db2.gz MGVLYGYGLWZTDL-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC001222646452 1225642129 /nfs/dbraw/zinc/64/21/29/1225642129.db2.gz AXIVHWYMQUOJQC-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001000477296 1216068912 /nfs/dbraw/zinc/06/89/12/1216068912.db2.gz QHBBKCJKSAAPIY-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001000477296 1216068918 /nfs/dbraw/zinc/06/89/18/1216068918.db2.gz QHBBKCJKSAAPIY-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001001534745 1216238918 /nfs/dbraw/zinc/23/89/18/1216238918.db2.gz ZPNYPOBGHLHNNU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001001534745 1216238928 /nfs/dbraw/zinc/23/89/28/1216238928.db2.gz ZPNYPOBGHLHNNU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1C ZINC001051624586 1216469128 /nfs/dbraw/zinc/46/91/28/1216469128.db2.gz RXQWJFTTWLVWCM-RBSFLKMASA-N 2 1 364.494 0.035 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1C ZINC001051624586 1216469134 /nfs/dbraw/zinc/46/91/34/1216469134.db2.gz RXQWJFTTWLVWCM-RBSFLKMASA-N 2 1 364.494 0.035 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC001051625418 1216469211 /nfs/dbraw/zinc/46/92/11/1216469211.db2.gz ZYYDVJMYIURDHI-ZTFGCOKTSA-N 2 1 361.490 0.487 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624756 1216470630 /nfs/dbraw/zinc/47/06/30/1216470630.db2.gz UIVLEPKESITYGO-VNQPRFMTSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624756 1216470639 /nfs/dbraw/zinc/47/06/39/1216470639.db2.gz UIVLEPKESITYGO-VNQPRFMTSA-N 2 1 364.494 0.264 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678864 1216474449 /nfs/dbraw/zinc/47/44/49/1216474449.db2.gz FHJDFHDOLFHZLW-UKPHBRMFSA-N 2 1 366.462 0.273 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678864 1216474452 /nfs/dbraw/zinc/47/44/52/1216474452.db2.gz FHJDFHDOLFHZLW-UKPHBRMFSA-N 2 1 366.462 0.273 20 0 FCADMP Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680047 1216474620 /nfs/dbraw/zinc/47/46/20/1216474620.db2.gz KBTQDLPZBZYILH-ZTFGCOKTSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680047 1216474625 /nfs/dbraw/zinc/47/46/25/1216474625.db2.gz KBTQDLPZBZYILH-ZTFGCOKTSA-N 2 1 362.474 0.426 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057741425 1216532724 /nfs/dbraw/zinc/53/27/24/1216532724.db2.gz SDWNSJISFSRMLS-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057741425 1216532731 /nfs/dbraw/zinc/53/27/31/1216532731.db2.gz SDWNSJISFSRMLS-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057741425 1216532738 /nfs/dbraw/zinc/53/27/38/1216532738.db2.gz SDWNSJISFSRMLS-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001052487894 1216561700 /nfs/dbraw/zinc/56/17/00/1216561700.db2.gz DWLLKWJIMMAACF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001052487894 1216561705 /nfs/dbraw/zinc/56/17/05/1216561705.db2.gz DWLLKWJIMMAACF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCc3cnn(C)c3)CC2)O1 ZINC001052487894 1216561710 /nfs/dbraw/zinc/56/17/10/1216561710.db2.gz DWLLKWJIMMAACF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCc3cnn(C)c3)CC2)O1 ZINC001052487894 1216561714 /nfs/dbraw/zinc/56/17/14/1216561714.db2.gz DWLLKWJIMMAACF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC001057861294 1216596930 /nfs/dbraw/zinc/59/69/30/1216596930.db2.gz PPSQVKXZULUUEN-IAGOWNOFSA-N 2 1 368.522 0.140 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223115554 1225682684 /nfs/dbraw/zinc/68/26/84/1225682684.db2.gz GERBAQRBDYVAEL-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223115554 1225682686 /nfs/dbraw/zinc/68/26/86/1225682686.db2.gz GERBAQRBDYVAEL-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000827539974 1216628200 /nfs/dbraw/zinc/62/82/00/1216628200.db2.gz VTQPPYRHDHUACM-HNNXBMFYSA-N 2 1 356.430 0.450 20 0 FCADMP CCOCC[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276873974 1225691584 /nfs/dbraw/zinc/69/15/84/1225691584.db2.gz AGCOGUXVJFSKPY-SFHVURJKSA-N 2 1 366.550 0.879 20 0 FCADMP CCOCC[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276874273 1225691900 /nfs/dbraw/zinc/69/19/00/1225691900.db2.gz GOTIBKLPRUNUKT-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CC4CC4)n3CC2)CC[N@H+]1C ZINC001069844868 1216805765 /nfs/dbraw/zinc/80/57/65/1216805765.db2.gz OSCJCXMDWMOYBW-FVQBIDKESA-N 2 1 360.506 0.939 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976549 1216879754 /nfs/dbraw/zinc/87/97/54/1216879754.db2.gz RYAJLEZOVPLNKZ-SJORKVTESA-N 2 1 366.429 0.923 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996187 1216890038 /nfs/dbraw/zinc/89/00/38/1216890038.db2.gz URGMTYOPKFEFNV-XHSDSOJGSA-N 2 1 364.494 0.529 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996187 1216890039 /nfs/dbraw/zinc/89/00/39/1216890039.db2.gz URGMTYOPKFEFNV-XHSDSOJGSA-N 2 1 364.494 0.529 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006059 1216893175 /nfs/dbraw/zinc/89/31/75/1216893175.db2.gz BBGMYWXSKDEJNU-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006059 1216893177 /nfs/dbraw/zinc/89/31/77/1216893177.db2.gz BBGMYWXSKDEJNU-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006059 1216893179 /nfs/dbraw/zinc/89/31/79/1216893179.db2.gz BBGMYWXSKDEJNU-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006059 1216893180 /nfs/dbraw/zinc/89/31/80/1216893180.db2.gz BBGMYWXSKDEJNU-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006076 1216893224 /nfs/dbraw/zinc/89/32/24/1216893224.db2.gz CAMCKIZWEWVZBL-IXDOHACOSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006076 1216893225 /nfs/dbraw/zinc/89/32/25/1216893225.db2.gz CAMCKIZWEWVZBL-IXDOHACOSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006076 1216893226 /nfs/dbraw/zinc/89/32/26/1216893226.db2.gz CAMCKIZWEWVZBL-IXDOHACOSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006076 1216893229 /nfs/dbraw/zinc/89/32/29/1216893229.db2.gz CAMCKIZWEWVZBL-IXDOHACOSA-N 2 1 364.494 0.529 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001223361317 1225701150 /nfs/dbraw/zinc/70/11/50/1225701150.db2.gz HCAWRGBMKJEBBR-OIISXLGYSA-N 2 1 365.474 0.885 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001223361317 1225701153 /nfs/dbraw/zinc/70/11/53/1225701153.db2.gz HCAWRGBMKJEBBR-OIISXLGYSA-N 2 1 365.474 0.885 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001070015233 1216898206 /nfs/dbraw/zinc/89/82/06/1216898206.db2.gz MJLXXDATWFKXGF-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046977 1216922572 /nfs/dbraw/zinc/92/25/72/1216922572.db2.gz ZDIYQBMGZGSUOA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046977 1216922578 /nfs/dbraw/zinc/92/25/78/1216922578.db2.gz ZDIYQBMGZGSUOA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046977 1216922584 /nfs/dbraw/zinc/92/25/84/1216922584.db2.gz ZDIYQBMGZGSUOA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046977 1216922588 /nfs/dbraw/zinc/92/25/88/1216922588.db2.gz ZDIYQBMGZGSUOA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223593155 1225718839 /nfs/dbraw/zinc/71/88/39/1225718839.db2.gz BHGIKUKXUBQECW-SJORKVTESA-N 2 1 364.490 0.938 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223593155 1225718842 /nfs/dbraw/zinc/71/88/42/1225718842.db2.gz BHGIKUKXUBQECW-SJORKVTESA-N 2 1 364.490 0.938 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223593395 1225719195 /nfs/dbraw/zinc/71/91/95/1225719195.db2.gz FCDJVUHTODKROY-IKGGRYGDSA-N 2 1 364.490 0.937 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223593395 1225719201 /nfs/dbraw/zinc/71/92/01/1225719201.db2.gz FCDJVUHTODKROY-IKGGRYGDSA-N 2 1 364.490 0.937 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@H+]1C ZINC001041300213 1217273167 /nfs/dbraw/zinc/27/31/67/1217273167.db2.gz GCIFQZOCHTZNQA-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001041300213 1217273173 /nfs/dbraw/zinc/27/31/73/1217273173.db2.gz GCIFQZOCHTZNQA-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001041300213 1217273180 /nfs/dbraw/zinc/27/31/80/1217273180.db2.gz GCIFQZOCHTZNQA-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223721311 1225730621 /nfs/dbraw/zinc/73/06/21/1225730621.db2.gz GMKAKEOLDPXHSG-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223838513 1225740295 /nfs/dbraw/zinc/74/02/95/1225740295.db2.gz KISBKHYOOOLUJC-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223838513 1225740300 /nfs/dbraw/zinc/74/03/00/1225740300.db2.gz KISBKHYOOOLUJC-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223838513 1225740304 /nfs/dbraw/zinc/74/03/04/1225740304.db2.gz KISBKHYOOOLUJC-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912749 1225744720 /nfs/dbraw/zinc/74/47/20/1225744720.db2.gz ZFGWNUSSBASZBE-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223911325 1225744807 /nfs/dbraw/zinc/74/48/07/1225744807.db2.gz DVBYEXGVMNNNEQ-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916743 1225746070 /nfs/dbraw/zinc/74/60/70/1225746070.db2.gz OCMPIIYZFVKMAB-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916743 1225746075 /nfs/dbraw/zinc/74/60/75/1225746075.db2.gz OCMPIIYZFVKMAB-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)on1 ZINC001223916947 1225746570 /nfs/dbraw/zinc/74/65/70/1225746570.db2.gz VVWDGFHWMAZSSV-ZBFHGGJFSA-N 2 1 366.462 0.684 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)on1 ZINC001223916947 1225746575 /nfs/dbraw/zinc/74/65/75/1225746575.db2.gz VVWDGFHWMAZSSV-ZBFHGGJFSA-N 2 1 366.462 0.684 20 0 FCADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130136 1225760141 /nfs/dbraw/zinc/76/01/41/1225760141.db2.gz OIOGQGMTGPNXPH-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130136 1225760146 /nfs/dbraw/zinc/76/01/46/1225760146.db2.gz OIOGQGMTGPNXPH-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130136 1225760151 /nfs/dbraw/zinc/76/01/51/1225760151.db2.gz OIOGQGMTGPNXPH-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130136 1225760154 /nfs/dbraw/zinc/76/01/54/1225760154.db2.gz OIOGQGMTGPNXPH-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043735054 1217723516 /nfs/dbraw/zinc/72/35/16/1217723516.db2.gz UKRPJLIXUIIFQK-IXDOHACOSA-N 2 1 359.474 0.851 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043735054 1217723520 /nfs/dbraw/zinc/72/35/20/1217723520.db2.gz UKRPJLIXUIIFQK-IXDOHACOSA-N 2 1 359.474 0.851 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958681 1225767398 /nfs/dbraw/zinc/76/73/98/1225767398.db2.gz IQLODSIVPXQQIH-HXUWFJFHSA-N 2 1 366.550 0.567 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958681 1225767404 /nfs/dbraw/zinc/76/74/04/1225767404.db2.gz IQLODSIVPXQQIH-HXUWFJFHSA-N 2 1 366.550 0.567 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958681 1225767408 /nfs/dbraw/zinc/76/74/08/1225767408.db2.gz IQLODSIVPXQQIH-HXUWFJFHSA-N 2 1 366.550 0.567 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044207286 1217817996 /nfs/dbraw/zinc/81/79/96/1217817996.db2.gz NRQQQZYRBRDNRO-ZACQAIPSSA-N 2 1 359.474 0.355 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)C1 ZINC001044433659 1217846535 /nfs/dbraw/zinc/84/65/35/1217846535.db2.gz XVVABAUUQAEFDB-BBWFWOEESA-N 2 1 361.490 0.881 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)C1 ZINC001044433659 1217846537 /nfs/dbraw/zinc/84/65/37/1217846537.db2.gz XVVABAUUQAEFDB-BBWFWOEESA-N 2 1 361.490 0.881 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001045043164 1217895904 /nfs/dbraw/zinc/89/59/04/1217895904.db2.gz BDEDLUMQVJHVFZ-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001045043164 1217895906 /nfs/dbraw/zinc/89/59/06/1217895906.db2.gz BDEDLUMQVJHVFZ-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045091098 1217899434 /nfs/dbraw/zinc/89/94/34/1217899434.db2.gz QEHJYYDCBPXFAZ-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045091098 1217899436 /nfs/dbraw/zinc/89/94/36/1217899436.db2.gz QEHJYYDCBPXFAZ-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276981864 1225784575 /nfs/dbraw/zinc/78/45/75/1225784575.db2.gz IKUZEJDUKABAAW-PXNSSMCTSA-N 2 1 358.486 0.612 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000900516468 1218001605 /nfs/dbraw/zinc/00/16/05/1218001605.db2.gz DEBZEIHDRVDQCR-INIZCTEOSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000900516468 1218001612 /nfs/dbraw/zinc/00/16/12/1218001612.db2.gz DEBZEIHDRVDQCR-INIZCTEOSA-N 2 1 369.506 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001046332241 1218027789 /nfs/dbraw/zinc/02/77/89/1218027789.db2.gz PLXQVGXUTQFMQK-OGWOLHLISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001046332241 1218027793 /nfs/dbraw/zinc/02/77/93/1218027793.db2.gz PLXQVGXUTQFMQK-OGWOLHLISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001046332241 1218027798 /nfs/dbraw/zinc/02/77/98/1218027798.db2.gz PLXQVGXUTQFMQK-OGWOLHLISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001046332241 1218027803 /nfs/dbraw/zinc/02/78/03/1218027803.db2.gz PLXQVGXUTQFMQK-OGWOLHLISA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057701 1218090322 /nfs/dbraw/zinc/09/03/22/1218090322.db2.gz WTIAZYTTXPDIBP-GJZGRUSLSA-N 2 1 370.413 0.185 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057701 1218090325 /nfs/dbraw/zinc/09/03/25/1218090325.db2.gz WTIAZYTTXPDIBP-GJZGRUSLSA-N 2 1 370.413 0.185 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cc(F)ncn3)CC2)CC[N@@H+]1C ZINC001096258706 1218195907 /nfs/dbraw/zinc/19/59/07/1218195907.db2.gz DTWVSFTWUVJZMT-HUUCEWRRSA-N 2 1 364.469 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cc(F)ncn3)CC2)CC[N@H+]1C ZINC001096258706 1218195912 /nfs/dbraw/zinc/19/59/12/1218195912.db2.gz DTWVSFTWUVJZMT-HUUCEWRRSA-N 2 1 364.469 0.584 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829134 1218323213 /nfs/dbraw/zinc/32/32/13/1218323213.db2.gz IIIMVOATRIZYOB-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP COc1cncc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829134 1218323219 /nfs/dbraw/zinc/32/32/19/1218323219.db2.gz IIIMVOATRIZYOB-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP COc1cncc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829134 1218323221 /nfs/dbraw/zinc/32/32/21/1218323221.db2.gz IIIMVOATRIZYOB-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP O=C1c2ccccc2C(=O)N1CCOCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453863 1218415885 /nfs/dbraw/zinc/41/58/85/1218415885.db2.gz OGUAOSOIXIDJFH-INIZCTEOSA-N 2 1 372.469 0.279 20 0 FCADMP COc1c(C)c[nH+]c(CN2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001277072097 1225822062 /nfs/dbraw/zinc/82/20/62/1225822062.db2.gz KJTKQPUWHQLHJF-UHFFFAOYSA-N 2 1 362.474 0.682 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)CC1 ZINC001049476228 1218459957 /nfs/dbraw/zinc/45/99/57/1218459957.db2.gz ADIWVJQCTZVRDO-HCXYKTFWSA-N 2 1 365.518 0.791 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584930 1218568139 /nfs/dbraw/zinc/56/81/39/1218568139.db2.gz ZJYAUCILIJRFGO-OWSLCNJRSA-N 2 1 374.485 0.328 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584930 1218568143 /nfs/dbraw/zinc/56/81/43/1218568143.db2.gz ZJYAUCILIJRFGO-OWSLCNJRSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584930 1218568148 /nfs/dbraw/zinc/56/81/48/1218568148.db2.gz ZJYAUCILIJRFGO-OWSLCNJRSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584930 1218568154 /nfs/dbraw/zinc/56/81/54/1218568154.db2.gz ZJYAUCILIJRFGO-OWSLCNJRSA-N 2 1 374.485 0.328 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001096611620 1218579829 /nfs/dbraw/zinc/57/98/29/1218579829.db2.gz RHCSEHKOBICADU-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001096611620 1218579837 /nfs/dbraw/zinc/57/98/37/1218579837.db2.gz RHCSEHKOBICADU-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001096611620 1218579842 /nfs/dbraw/zinc/57/98/42/1218579842.db2.gz RHCSEHKOBICADU-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096611620 1218579851 /nfs/dbraw/zinc/57/98/51/1218579851.db2.gz RHCSEHKOBICADU-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)n1 ZINC001097100991 1218688927 /nfs/dbraw/zinc/68/89/27/1218688927.db2.gz FXDZPUPMCGSXNG-YXWSMURKSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)n1 ZINC001097100991 1218688930 /nfs/dbraw/zinc/68/89/30/1218688930.db2.gz FXDZPUPMCGSXNG-YXWSMURKSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)n1 ZINC001097100991 1218688937 /nfs/dbraw/zinc/68/89/37/1218688937.db2.gz FXDZPUPMCGSXNG-YXWSMURKSA-N 2 1 360.506 0.957 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315296 1218773048 /nfs/dbraw/zinc/77/30/48/1218773048.db2.gz SYYVWBUCWWFILW-NCOADZHNSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315296 1218773052 /nfs/dbraw/zinc/77/30/52/1218773052.db2.gz SYYVWBUCWWFILW-NCOADZHNSA-N 2 1 360.502 0.863 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001097551388 1218817579 /nfs/dbraw/zinc/81/75/79/1218817579.db2.gz IHRXCGUDQJDEOM-TWMKSMIVSA-N 2 1 358.446 0.171 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001097551388 1218817580 /nfs/dbraw/zinc/81/75/80/1218817580.db2.gz IHRXCGUDQJDEOM-TWMKSMIVSA-N 2 1 358.446 0.171 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001097581046 1218824159 /nfs/dbraw/zinc/82/41/59/1218824159.db2.gz NDYPXTJGEOFUPN-ZJPYXAASSA-N 2 1 358.490 0.874 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001097581046 1218824160 /nfs/dbraw/zinc/82/41/60/1218824160.db2.gz NDYPXTJGEOFUPN-ZJPYXAASSA-N 2 1 358.490 0.874 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1=O ZINC001277146284 1225851618 /nfs/dbraw/zinc/85/16/18/1225851618.db2.gz GJVMZNSMQOPRCN-GOSISDBHSA-N 2 1 363.462 0.654 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCCC[NH+](C)C)C[C@H]3C2)CC[N@H+]1C ZINC001055357673 1219033534 /nfs/dbraw/zinc/03/35/34/1219033534.db2.gz ZQLPEOKUOZICAF-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1)[NH+](C)C ZINC001055601742 1219095547 /nfs/dbraw/zinc/09/55/47/1219095547.db2.gz AAYMFGWODAZYCP-HYVNUMGLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000804053041 1219106109 /nfs/dbraw/zinc/10/61/09/1219106109.db2.gz IDFISEXNXPTOOC-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059047 1219111714 /nfs/dbraw/zinc/11/17/14/1219111714.db2.gz JWUHPNZQGDQOLK-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061306 1219115918 /nfs/dbraw/zinc/11/59/18/1219115918.db2.gz XITUSVSYCPVPPR-DLBZAZTESA-N 2 1 364.490 0.053 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061173 1219117931 /nfs/dbraw/zinc/11/79/31/1219117931.db2.gz RURNQRWAGRSWHE-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000804062742 1219118061 /nfs/dbraw/zinc/11/80/61/1219118061.db2.gz KNKZNQQQCNCRAN-PMPSAXMXSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096298 1219167791 /nfs/dbraw/zinc/16/77/91/1219167791.db2.gz SJWWBVTVGHNENH-KSZLIROESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096298 1219167794 /nfs/dbraw/zinc/16/77/94/1219167794.db2.gz SJWWBVTVGHNENH-KSZLIROESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096298 1219167797 /nfs/dbraw/zinc/16/77/97/1219167797.db2.gz SJWWBVTVGHNENH-KSZLIROESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096298 1219167799 /nfs/dbraw/zinc/16/77/99/1219167799.db2.gz SJWWBVTVGHNENH-KSZLIROESA-N 2 1 369.473 0.475 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100146 1219173873 /nfs/dbraw/zinc/17/38/73/1219173873.db2.gz GXZWKFRABPGCES-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100146 1219173878 /nfs/dbraw/zinc/17/38/78/1219173878.db2.gz GXZWKFRABPGCES-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100146 1219173889 /nfs/dbraw/zinc/17/38/89/1219173889.db2.gz GXZWKFRABPGCES-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100146 1219173896 /nfs/dbraw/zinc/17/38/96/1219173896.db2.gz GXZWKFRABPGCES-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001227445060 1225874711 /nfs/dbraw/zinc/87/47/11/1225874711.db2.gz ZQHQPEYYKPGLNP-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001227445060 1225874712 /nfs/dbraw/zinc/87/47/12/1225874712.db2.gz ZQHQPEYYKPGLNP-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[NH+]3C)CCOCC2)CC[N@H+]1C ZINC001070132795 1219207542 /nfs/dbraw/zinc/20/75/42/1219207542.db2.gz SMJQFAMFLHOBEL-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCOCC2)CC[NH+]1C ZINC001070132795 1219207544 /nfs/dbraw/zinc/20/75/44/1219207544.db2.gz SMJQFAMFLHOBEL-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCOCC2)CC[NH+]1C ZINC001070132795 1219207546 /nfs/dbraw/zinc/20/75/46/1219207546.db2.gz SMJQFAMFLHOBEL-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158419 1219245289 /nfs/dbraw/zinc/24/52/89/1219245289.db2.gz JTMVZHWUKRMEDS-IKGGRYGDSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158419 1219245295 /nfs/dbraw/zinc/24/52/95/1219245295.db2.gz JTMVZHWUKRMEDS-IKGGRYGDSA-N 2 1 370.461 0.012 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227544331 1225878683 /nfs/dbraw/zinc/87/86/83/1225878683.db2.gz WNEGAWROKBNXQS-HUUCEWRRSA-N 2 1 361.490 0.867 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209354 1219294636 /nfs/dbraw/zinc/29/46/36/1219294636.db2.gz ZZGXGOVNOCRKLE-IKGGRYGDSA-N 2 1 362.478 0.019 20 0 FCADMP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070209214 1219294778 /nfs/dbraw/zinc/29/47/78/1219294778.db2.gz RPXZYUZPCILYQY-MSOLQXFVSA-N 2 1 369.473 0.699 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070209214 1219294781 /nfs/dbraw/zinc/29/47/81/1219294781.db2.gz RPXZYUZPCILYQY-MSOLQXFVSA-N 2 1 369.473 0.699 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)C2 ZINC001070275490 1219342677 /nfs/dbraw/zinc/34/26/77/1219342677.db2.gz OYXDCSFSJVWTCZ-JQHSSLGASA-N 2 1 369.473 0.797 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277061 1219344098 /nfs/dbraw/zinc/34/40/98/1219344098.db2.gz FMCIMAKYGWSUCU-SQNIBIBYSA-N 2 1 371.489 0.863 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070311164 1219368684 /nfs/dbraw/zinc/36/86/84/1219368684.db2.gz PZCFYLIQLGMXTM-CVEARBPZSA-N 2 1 371.445 0.212 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070372813 1219402128 /nfs/dbraw/zinc/40/21/28/1219402128.db2.gz IKTPQMLAXQLGCG-RYRKJORJSA-N 2 1 368.497 0.916 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070378198 1219404746 /nfs/dbraw/zinc/40/47/46/1219404746.db2.gz DJIUSQXVQGWHJJ-OGWOLHLISA-N 2 1 368.497 0.773 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCCF)CC2)C1 ZINC001070382820 1219407779 /nfs/dbraw/zinc/40/77/79/1219407779.db2.gz SIQIJIPXDMBIHM-NUJGCVRESA-N 2 1 368.497 0.773 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)c1 ZINC001070477849 1219428291 /nfs/dbraw/zinc/42/82/91/1219428291.db2.gz WRCBHFIGBIJFNH-JQHSSLGASA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)c1 ZINC001070477849 1219428295 /nfs/dbraw/zinc/42/82/95/1219428295.db2.gz WRCBHFIGBIJFNH-JQHSSLGASA-N 2 1 361.490 0.435 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953219 1225891969 /nfs/dbraw/zinc/89/19/69/1225891969.db2.gz DQWJPFKWKLAMBJ-BPQIPLTHSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953219 1225891971 /nfs/dbraw/zinc/89/19/71/1225891971.db2.gz DQWJPFKWKLAMBJ-BPQIPLTHSA-N 2 1 371.522 0.320 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CC2CC2)c1 ZINC001070546545 1219462030 /nfs/dbraw/zinc/46/20/30/1219462030.db2.gz CARDOSXDGBAMFI-FUHWJXTLSA-N 2 1 361.490 0.436 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001070567897 1219473455 /nfs/dbraw/zinc/47/34/55/1219473455.db2.gz NMELLILDQRIVGJ-QXAKKESOSA-N 2 1 371.485 0.599 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168154 1225898328 /nfs/dbraw/zinc/89/83/28/1225898328.db2.gz YJCBXQQMGYSJTK-BRWVUGGUSA-N 2 1 368.522 0.639 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228168154 1225898330 /nfs/dbraw/zinc/89/83/30/1225898330.db2.gz YJCBXQQMGYSJTK-BRWVUGGUSA-N 2 1 368.522 0.639 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070718612 1219540747 /nfs/dbraw/zinc/54/07/47/1219540747.db2.gz CEMWXBGPOQPDJC-ARFHVFGLSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070718612 1219540750 /nfs/dbraw/zinc/54/07/50/1219540750.db2.gz CEMWXBGPOQPDJC-ARFHVFGLSA-N 2 1 371.489 0.190 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913191 1219566046 /nfs/dbraw/zinc/56/60/46/1219566046.db2.gz DWNOJGGKMPTCSA-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913191 1219566047 /nfs/dbraw/zinc/56/60/47/1219566047.db2.gz DWNOJGGKMPTCSA-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913191 1219566051 /nfs/dbraw/zinc/56/60/51/1219566051.db2.gz DWNOJGGKMPTCSA-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070923002 1219579932 /nfs/dbraw/zinc/57/99/32/1219579932.db2.gz RBLGWUJKBBZHAH-OAGGEKHMSA-N 2 1 362.474 0.598 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC(=O)NCCN(CC2CC2)CC1 ZINC001071001290 1219587539 /nfs/dbraw/zinc/58/75/39/1219587539.db2.gz QBSZHEQYTQFRET-HZPDHXFCSA-N 2 1 359.474 0.584 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC[N@H+]1C ZINC001071080004 1219601452 /nfs/dbraw/zinc/60/14/52/1219601452.db2.gz HUUWAIPCNJWVNT-SCNOPHJPSA-N 2 1 366.506 0.188 20 0 FCADMP Cc1ncc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001073611355 1219673435 /nfs/dbraw/zinc/67/34/35/1219673435.db2.gz UYVAPCDQAQRLKO-ZTFGCOKTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001073611355 1219673439 /nfs/dbraw/zinc/67/34/39/1219673439.db2.gz UYVAPCDQAQRLKO-ZTFGCOKTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073611355 1219673445 /nfs/dbraw/zinc/67/34/45/1219673445.db2.gz UYVAPCDQAQRLKO-ZTFGCOKTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[N@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073611355 1219673448 /nfs/dbraw/zinc/67/34/48/1219673448.db2.gz UYVAPCDQAQRLKO-ZTFGCOKTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074711391 1219717651 /nfs/dbraw/zinc/71/76/51/1219717651.db2.gz ZGEYRLHHAMDZIN-VSZNYVQBSA-N 2 1 363.506 0.798 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074711391 1219717654 /nfs/dbraw/zinc/71/76/54/1219717654.db2.gz ZGEYRLHHAMDZIN-VSZNYVQBSA-N 2 1 363.506 0.798 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001098223228 1219742888 /nfs/dbraw/zinc/74/28/88/1219742888.db2.gz BCGUENNJBFSSTG-ZACQAIPSSA-N 2 1 358.490 0.712 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1=O ZINC001098223490 1219743711 /nfs/dbraw/zinc/74/37/11/1219743711.db2.gz NVFNYOVBKGFCOE-ZACQAIPSSA-N 2 1 356.470 0.703 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001098675701 1219809871 /nfs/dbraw/zinc/80/98/71/1219809871.db2.gz GAZLEGKHQYYFDS-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464464 1219888385 /nfs/dbraw/zinc/88/83/85/1219888385.db2.gz XRXDUKKCGIWLLO-HZMVEIRTSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464464 1219888386 /nfs/dbraw/zinc/88/83/86/1219888386.db2.gz XRXDUKKCGIWLLO-HZMVEIRTSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464464 1219888387 /nfs/dbraw/zinc/88/83/87/1219888387.db2.gz XRXDUKKCGIWLLO-HZMVEIRTSA-N 2 1 368.522 0.589 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464464 1219888390 /nfs/dbraw/zinc/88/83/90/1219888390.db2.gz XRXDUKKCGIWLLO-HZMVEIRTSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099114399 1219917846 /nfs/dbraw/zinc/91/78/46/1219917846.db2.gz RWSZAXRWIZGONS-LIVBEALHSA-N 2 1 362.518 0.953 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160885 1219936262 /nfs/dbraw/zinc/93/62/62/1219936262.db2.gz VPFZCISJDNHADT-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160885 1219936263 /nfs/dbraw/zinc/93/62/63/1219936263.db2.gz VPFZCISJDNHADT-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160885 1219936266 /nfs/dbraw/zinc/93/62/66/1219936266.db2.gz VPFZCISJDNHADT-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CCCC2)C3)C1 ZINC001099160885 1219936268 /nfs/dbraw/zinc/93/62/68/1219936268.db2.gz VPFZCISJDNHADT-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP Cn1nccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001099402655 1219982872 /nfs/dbraw/zinc/98/28/72/1219982872.db2.gz DIPSUCCJDZKRPG-WDYCEAGBSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1nccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001099402655 1219982878 /nfs/dbraw/zinc/98/28/78/1219982878.db2.gz DIPSUCCJDZKRPG-WDYCEAGBSA-N 2 1 361.490 0.469 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228595389 1225935850 /nfs/dbraw/zinc/93/58/50/1225935850.db2.gz WKEHPKXYZNBMRA-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCOC2)C1 ZINC001099514633 1220019062 /nfs/dbraw/zinc/01/90/62/1220019062.db2.gz DZQOTDYFSKVZKG-BJLQDIEVSA-N 2 1 365.518 0.964 20 0 FCADMP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001099525838 1220023917 /nfs/dbraw/zinc/02/39/17/1220023917.db2.gz BVGFRYVVAFIVQP-VKJFTORMSA-N 2 1 361.494 0.270 20 0 FCADMP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001099526659 1220023997 /nfs/dbraw/zinc/02/39/97/1220023997.db2.gz QBVXJUUGMXGKAH-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171965 1220208471 /nfs/dbraw/zinc/20/84/71/1220208471.db2.gz RDNSZJITAOMRDM-AOIWGVFYSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171965 1220208480 /nfs/dbraw/zinc/20/84/80/1220208480.db2.gz RDNSZJITAOMRDM-AOIWGVFYSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243550 1220242708 /nfs/dbraw/zinc/24/27/08/1220242708.db2.gz LVGSEWHRZBOTOG-VIPLHTEESA-N 2 1 364.534 0.975 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243550 1220242711 /nfs/dbraw/zinc/24/27/11/1220242711.db2.gz LVGSEWHRZBOTOG-VIPLHTEESA-N 2 1 364.534 0.975 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243550 1220242714 /nfs/dbraw/zinc/24/27/14/1220242714.db2.gz LVGSEWHRZBOTOG-VIPLHTEESA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)CC)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243665 1220242780 /nfs/dbraw/zinc/24/27/80/1220242780.db2.gz WZTLWFVQAIEOOU-YZLZLFLDSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)CC)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243665 1220242782 /nfs/dbraw/zinc/24/27/82/1220242782.db2.gz WZTLWFVQAIEOOU-YZLZLFLDSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)CC)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243665 1220242784 /nfs/dbraw/zinc/24/27/84/1220242784.db2.gz WZTLWFVQAIEOOU-YZLZLFLDSA-N 2 1 364.534 0.975 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257153 1220249927 /nfs/dbraw/zinc/24/99/27/1220249927.db2.gz IWQBHIYWRULUPG-GJYPPUQNSA-N 2 1 370.513 0.973 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101257208 1220250045 /nfs/dbraw/zinc/25/00/45/1220250045.db2.gz KSWJYDWEMGOSJR-GJYPPUQNSA-N 2 1 368.497 0.679 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267451 1220256405 /nfs/dbraw/zinc/25/64/05/1220256405.db2.gz FVABSPAXSSUQPK-KPFFTGBYSA-N 2 1 364.534 0.975 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340121 1220293526 /nfs/dbraw/zinc/29/35/26/1220293526.db2.gz WIGLTAFTSZRIGD-GJYPPUQNSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340121 1220293529 /nfs/dbraw/zinc/29/35/29/1220293529.db2.gz WIGLTAFTSZRIGD-GJYPPUQNSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340121 1220293534 /nfs/dbraw/zinc/29/35/34/1220293534.db2.gz WIGLTAFTSZRIGD-GJYPPUQNSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340121 1220293539 /nfs/dbraw/zinc/29/35/39/1220293539.db2.gz WIGLTAFTSZRIGD-GJYPPUQNSA-N 2 1 366.506 0.012 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342848 1220295280 /nfs/dbraw/zinc/29/52/80/1220295280.db2.gz PUKQBFBYDFGPCO-GJYPPUQNSA-N 2 1 362.518 0.729 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365706 1220303999 /nfs/dbraw/zinc/30/39/99/1220303999.db2.gz FSCBXQRQQWZPHS-GJYPPUQNSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429939 1220339784 /nfs/dbraw/zinc/33/97/84/1220339784.db2.gz HKTYGJJOBFJEHN-MDYRTPRTSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429939 1220339787 /nfs/dbraw/zinc/33/97/87/1220339787.db2.gz HKTYGJJOBFJEHN-MDYRTPRTSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429939 1220339793 /nfs/dbraw/zinc/33/97/93/1220339793.db2.gz HKTYGJJOBFJEHN-MDYRTPRTSA-N 2 1 362.518 0.635 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431388 1220340993 /nfs/dbraw/zinc/34/09/93/1220340993.db2.gz MNKIBWFGTXCASO-APWZRJJASA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432725 1220342481 /nfs/dbraw/zinc/34/24/81/1220342481.db2.gz YEMAWLHPEILZEE-MDZRGWNJSA-N 2 1 368.522 0.260 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101459550 1220357829 /nfs/dbraw/zinc/35/78/29/1220357829.db2.gz IOPMXOPKJZCZSI-QKLQHJQFSA-N 2 1 362.518 0.587 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101459550 1220357832 /nfs/dbraw/zinc/35/78/32/1220357832.db2.gz IOPMXOPKJZCZSI-QKLQHJQFSA-N 2 1 362.518 0.587 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101459550 1220357836 /nfs/dbraw/zinc/35/78/36/1220357836.db2.gz IOPMXOPKJZCZSI-QKLQHJQFSA-N 2 1 362.518 0.587 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001101461470 1220359417 /nfs/dbraw/zinc/35/94/17/1220359417.db2.gz DCFZQGWRYYTPIC-XLIONFOSSA-N 2 1 362.518 0.779 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461750 1220360317 /nfs/dbraw/zinc/36/03/17/1220360317.db2.gz RLPVZWQIMSRIAC-MJGOQNOKSA-N 2 1 366.506 0.015 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976357 1220449936 /nfs/dbraw/zinc/44/99/36/1220449936.db2.gz ZQFOLADOTGYLQC-NXHRZFHOSA-N 2 1 364.534 0.785 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975872 1220450012 /nfs/dbraw/zinc/45/00/12/1220450012.db2.gz FCXPVNJXKAHOBS-NXHRZFHOSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046284 1220476875 /nfs/dbraw/zinc/47/68/75/1220476875.db2.gz WCZZMGBEAUPGMY-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102050090 1220478244 /nfs/dbraw/zinc/47/82/44/1220478244.db2.gz UAKHFALMEFHMCZ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102050090 1220478247 /nfs/dbraw/zinc/47/82/47/1220478247.db2.gz UAKHFALMEFHMCZ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102050090 1220478251 /nfs/dbraw/zinc/47/82/51/1220478251.db2.gz UAKHFALMEFHMCZ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051878 1220479024 /nfs/dbraw/zinc/47/90/24/1220479024.db2.gz RIDNSGRAMPOPJX-JFIYKMOQSA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051878 1220479027 /nfs/dbraw/zinc/47/90/27/1220479027.db2.gz RIDNSGRAMPOPJX-JFIYKMOQSA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051878 1220479030 /nfs/dbraw/zinc/47/90/30/1220479030.db2.gz RIDNSGRAMPOPJX-JFIYKMOQSA-N 2 1 371.522 0.179 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(CCOC)no2)C[C@H]1C)[NH+](C)C ZINC001102086185 1220491296 /nfs/dbraw/zinc/49/12/96/1220491296.db2.gz SLHPYKBGZMESDA-RBSFLKMASA-N 2 1 367.494 0.783 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(CCOC)no2)C[C@H]1C)[NH+](C)C ZINC001102086185 1220491300 /nfs/dbraw/zinc/49/13/00/1220491300.db2.gz SLHPYKBGZMESDA-RBSFLKMASA-N 2 1 367.494 0.783 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109400 1220500475 /nfs/dbraw/zinc/50/04/75/1220500475.db2.gz JOBKPHBWGAWCHC-FRFSOERESA-N 2 1 360.458 0.948 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157557 1220528101 /nfs/dbraw/zinc/52/81/01/1220528101.db2.gz KBDJQIUFKOWMNT-HZPDHXFCSA-N 2 1 364.490 0.455 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157557 1220528108 /nfs/dbraw/zinc/52/81/08/1220528108.db2.gz KBDJQIUFKOWMNT-HZPDHXFCSA-N 2 1 364.490 0.455 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157258 1220528329 /nfs/dbraw/zinc/52/83/29/1220528329.db2.gz DRZLXUVYGMKSDB-RBSFLKMASA-N 2 1 361.490 0.581 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157258 1220528335 /nfs/dbraw/zinc/52/83/35/1220528335.db2.gz DRZLXUVYGMKSDB-RBSFLKMASA-N 2 1 361.490 0.581 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001102157203 1220528472 /nfs/dbraw/zinc/52/84/72/1220528472.db2.gz BWUMHNMEFQFGAE-KBAYOESNSA-N 2 1 366.506 0.909 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001102157203 1220528476 /nfs/dbraw/zinc/52/84/76/1220528476.db2.gz BWUMHNMEFQFGAE-KBAYOESNSA-N 2 1 366.506 0.909 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102157989 1220529773 /nfs/dbraw/zinc/52/97/73/1220529773.db2.gz YGTUBUXNWPRUJS-DJIMGWMZSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102157989 1220529778 /nfs/dbraw/zinc/52/97/78/1220529778.db2.gz YGTUBUXNWPRUJS-DJIMGWMZSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189100 1220542260 /nfs/dbraw/zinc/54/22/60/1220542260.db2.gz WBADUCBCRVBEKV-OGWOLHLISA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320485 1220582181 /nfs/dbraw/zinc/58/21/81/1220582181.db2.gz DYFPYNRSMYKNHQ-HZPDHXFCSA-N 2 1 371.489 0.798 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320485 1220582186 /nfs/dbraw/zinc/58/21/86/1220582186.db2.gz DYFPYNRSMYKNHQ-HZPDHXFCSA-N 2 1 371.489 0.798 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312931 1220582885 /nfs/dbraw/zinc/58/28/85/1220582885.db2.gz VGCKBJFWWFLLGL-CRAIPNDOSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370344 1220595760 /nfs/dbraw/zinc/59/57/60/1220595760.db2.gz XQBXSPUHXYFBIY-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370344 1220595765 /nfs/dbraw/zinc/59/57/65/1220595765.db2.gz XQBXSPUHXYFBIY-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370344 1220595771 /nfs/dbraw/zinc/59/57/71/1220595771.db2.gz XQBXSPUHXYFBIY-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369703 1220597409 /nfs/dbraw/zinc/59/74/09/1220597409.db2.gz DGONYDJIXWVDQB-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369703 1220597414 /nfs/dbraw/zinc/59/74/14/1220597414.db2.gz DGONYDJIXWVDQB-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369703 1220597421 /nfs/dbraw/zinc/59/74/21/1220597421.db2.gz DGONYDJIXWVDQB-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373210 1220599164 /nfs/dbraw/zinc/59/91/64/1220599164.db2.gz YUJNZMSOXSCQMG-ARFHVFGLSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373210 1220599175 /nfs/dbraw/zinc/59/91/75/1220599175.db2.gz YUJNZMSOXSCQMG-ARFHVFGLSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373210 1220599181 /nfs/dbraw/zinc/59/91/81/1220599181.db2.gz YUJNZMSOXSCQMG-ARFHVFGLSA-N 2 1 364.490 0.161 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427470 1220621433 /nfs/dbraw/zinc/62/14/33/1220621433.db2.gz VSQNFQXFIYPVHS-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427470 1220621438 /nfs/dbraw/zinc/62/14/38/1220621438.db2.gz VSQNFQXFIYPVHS-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427470 1220621442 /nfs/dbraw/zinc/62/14/42/1220621442.db2.gz VSQNFQXFIYPVHS-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102467921 1220637597 /nfs/dbraw/zinc/63/75/97/1220637597.db2.gz ZMGAEFSBBXLMNA-NVXWUHKLSA-N 2 1 359.478 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102467921 1220637601 /nfs/dbraw/zinc/63/76/01/1220637601.db2.gz ZMGAEFSBBXLMNA-NVXWUHKLSA-N 2 1 359.478 0.948 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469226 1220639639 /nfs/dbraw/zinc/63/96/39/1220639639.db2.gz WPQGHMRTVXWKJC-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469226 1220639643 /nfs/dbraw/zinc/63/96/43/1220639643.db2.gz WPQGHMRTVXWKJC-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001229134526 1225982055 /nfs/dbraw/zinc/98/20/55/1225982055.db2.gz BOYUZPYYHNSQPW-ZACQAIPSSA-N 2 1 366.506 0.394 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473576 1220643840 /nfs/dbraw/zinc/64/38/40/1220643840.db2.gz GTHNNVOUEQZNLH-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102496313 1220656877 /nfs/dbraw/zinc/65/68/77/1220656877.db2.gz PUUFRRMBYXLCFY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102496313 1220656879 /nfs/dbraw/zinc/65/68/79/1220656879.db2.gz PUUFRRMBYXLCFY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001102496313 1220656883 /nfs/dbraw/zinc/65/68/83/1220656883.db2.gz PUUFRRMBYXLCFY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141908 1225983093 /nfs/dbraw/zinc/98/30/93/1225983093.db2.gz MFSXTCJIIIWEDO-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001229142348 1225983698 /nfs/dbraw/zinc/98/36/98/1225983698.db2.gz RWHQUTOXQFFJAO-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514090 1220673196 /nfs/dbraw/zinc/67/31/96/1220673196.db2.gz MGSOLHQBKLUQKK-IXDOHACOSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514090 1220673200 /nfs/dbraw/zinc/67/32/00/1220673200.db2.gz MGSOLHQBKLUQKK-IXDOHACOSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514090 1220673203 /nfs/dbraw/zinc/67/32/03/1220673203.db2.gz MGSOLHQBKLUQKK-IXDOHACOSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514032 1220673585 /nfs/dbraw/zinc/67/35/85/1220673585.db2.gz KAMMLLURWRVDFQ-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514032 1220673588 /nfs/dbraw/zinc/67/35/88/1220673588.db2.gz KAMMLLURWRVDFQ-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514032 1220673591 /nfs/dbraw/zinc/67/35/91/1220673591.db2.gz KAMMLLURWRVDFQ-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102580631 1220702564 /nfs/dbraw/zinc/70/25/64/1220702564.db2.gz FGVWUPZNJSBRRK-HYVNUMGLSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102580631 1220702572 /nfs/dbraw/zinc/70/25/72/1220702572.db2.gz FGVWUPZNJSBRRK-HYVNUMGLSA-N 2 1 361.490 0.792 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580543 1220703458 /nfs/dbraw/zinc/70/34/58/1220703458.db2.gz BNAGTPWVBUEBPT-KZNAEPCWSA-N 2 1 371.522 0.302 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583091 1220705439 /nfs/dbraw/zinc/70/54/39/1220705439.db2.gz RBBOFCKYNLSOHM-HUUCEWRRSA-N 2 1 367.494 0.132 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588524 1220711706 /nfs/dbraw/zinc/71/17/06/1220711706.db2.gz CXVPMCFFIZWWRV-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588524 1220711712 /nfs/dbraw/zinc/71/17/12/1220711712.db2.gz CXVPMCFFIZWWRV-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588524 1220711715 /nfs/dbraw/zinc/71/17/15/1220711715.db2.gz CXVPMCFFIZWWRV-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588524 1220711720 /nfs/dbraw/zinc/71/17/20/1220711720.db2.gz CXVPMCFFIZWWRV-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598820 1220721995 /nfs/dbraw/zinc/72/19/95/1220721995.db2.gz BAICFAOQFZZECE-HUUCEWRRSA-N 2 1 367.494 0.002 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601004 1220723726 /nfs/dbraw/zinc/72/37/26/1220723726.db2.gz GNZYDSJNZHGTRA-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601004 1220723728 /nfs/dbraw/zinc/72/37/28/1220723728.db2.gz GNZYDSJNZHGTRA-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601004 1220723730 /nfs/dbraw/zinc/72/37/30/1220723730.db2.gz GNZYDSJNZHGTRA-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782794 1220781402 /nfs/dbraw/zinc/78/14/02/1220781402.db2.gz QGMKRNVVHURQEE-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782794 1220781408 /nfs/dbraw/zinc/78/14/08/1220781408.db2.gz QGMKRNVVHURQEE-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102782794 1220781414 /nfs/dbraw/zinc/78/14/14/1220781414.db2.gz QGMKRNVVHURQEE-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102782794 1220781421 /nfs/dbraw/zinc/78/14/21/1220781421.db2.gz QGMKRNVVHURQEE-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819287 1220792082 /nfs/dbraw/zinc/79/20/82/1220792082.db2.gz QJFFNWWSXVVDSS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819287 1220792089 /nfs/dbraw/zinc/79/20/89/1220792089.db2.gz QJFFNWWSXVVDSS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819287 1220792098 /nfs/dbraw/zinc/79/20/98/1220792098.db2.gz QJFFNWWSXVVDSS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819287 1220792103 /nfs/dbraw/zinc/79/21/03/1220792103.db2.gz QJFFNWWSXVVDSS-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993965 1220817414 /nfs/dbraw/zinc/81/74/14/1220817414.db2.gz NQYKESYUBNUIGG-KYJSFNMBSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089897 1220830772 /nfs/dbraw/zinc/83/07/72/1220830772.db2.gz FNYFVZPBYOOMEH-FMKPAKJESA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103089897 1220830773 /nfs/dbraw/zinc/83/07/73/1220830773.db2.gz FNYFVZPBYOOMEH-FMKPAKJESA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103089897 1220830774 /nfs/dbraw/zinc/83/07/74/1220830774.db2.gz FNYFVZPBYOOMEH-FMKPAKJESA-N 2 1 364.490 0.350 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085315 1220830967 /nfs/dbraw/zinc/83/09/67/1220830967.db2.gz PRNPDSYGOTVPAB-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085468 1220831166 /nfs/dbraw/zinc/83/11/66/1220831166.db2.gz WSZNHRKMJOYFHP-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085468 1220831167 /nfs/dbraw/zinc/83/11/67/1220831167.db2.gz WSZNHRKMJOYFHP-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001103140094 1220839527 /nfs/dbraw/zinc/83/95/27/1220839527.db2.gz MUWTVOULPSHPDQ-BZUAXINKSA-N 2 1 366.506 0.550 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148022 1220840659 /nfs/dbraw/zinc/84/06/59/1220840659.db2.gz KVAPLTKVNQHFGU-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148022 1220840660 /nfs/dbraw/zinc/84/06/60/1220840660.db2.gz KVAPLTKVNQHFGU-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148022 1220840661 /nfs/dbraw/zinc/84/06/61/1220840661.db2.gz KVAPLTKVNQHFGU-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185829 1220847873 /nfs/dbraw/zinc/84/78/73/1220847873.db2.gz SKLWJVXNFXOCNK-ZACQAIPSSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103192123 1220848104 /nfs/dbraw/zinc/84/81/04/1220848104.db2.gz BFIXUIWXFSYYMX-FRFSOERESA-N 2 1 355.442 0.911 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232533 1220854562 /nfs/dbraw/zinc/85/45/62/1220854562.db2.gz SUGKNXQSILWDIJ-CPUCHLNUSA-N 2 1 355.442 0.911 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103233290 1220854892 /nfs/dbraw/zinc/85/48/92/1220854892.db2.gz HVUIERXWKXODLF-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103233290 1220854895 /nfs/dbraw/zinc/85/48/95/1220854895.db2.gz HVUIERXWKXODLF-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103396979 1220877114 /nfs/dbraw/zinc/87/71/14/1220877114.db2.gz SCDQUYVWRJOGOJ-NVXWUHKLSA-N 2 1 365.522 0.428 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001103444837 1220884536 /nfs/dbraw/zinc/88/45/36/1220884536.db2.gz LLPMPIWHEFYTKZ-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520513 1220894747 /nfs/dbraw/zinc/89/47/47/1220894747.db2.gz UAEGYMFGVRXUAV-QLFBSQMISA-N 2 1 364.494 0.006 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584505 1220908618 /nfs/dbraw/zinc/90/86/18/1220908618.db2.gz WNTVPQFAZWBJTR-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641855 1220924278 /nfs/dbraw/zinc/92/42/78/1220924278.db2.gz GUIOCUZAXHBKTK-NVXWUHKLSA-N 2 1 365.522 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103641801 1220924901 /nfs/dbraw/zinc/92/49/01/1220924901.db2.gz DYVAUFFFTVMISQ-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103641801 1220924909 /nfs/dbraw/zinc/92/49/09/1220924909.db2.gz DYVAUFFFTVMISQ-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103641801 1220924914 /nfs/dbraw/zinc/92/49/14/1220924914.db2.gz DYVAUFFFTVMISQ-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103642202 1220926351 /nfs/dbraw/zinc/92/63/51/1220926351.db2.gz UKNFFMKHSWSEOS-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103642202 1220926354 /nfs/dbraw/zinc/92/63/54/1220926354.db2.gz UKNFFMKHSWSEOS-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654941 1220930897 /nfs/dbraw/zinc/93/08/97/1220930897.db2.gz IXZFIOKHMLUWNK-BZUAXINKSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001103663420 1220932979 /nfs/dbraw/zinc/93/29/79/1220932979.db2.gz ACPRXTBZJVTCAV-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103663420 1220932984 /nfs/dbraw/zinc/93/29/84/1220932984.db2.gz ACPRXTBZJVTCAV-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103663420 1220932988 /nfs/dbraw/zinc/93/29/88/1220932988.db2.gz ACPRXTBZJVTCAV-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721549 1220952386 /nfs/dbraw/zinc/95/23/86/1220952386.db2.gz XLDLNLIFYNXWBL-ZACQAIPSSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721549 1220952389 /nfs/dbraw/zinc/95/23/89/1220952389.db2.gz XLDLNLIFYNXWBL-ZACQAIPSSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721549 1220952390 /nfs/dbraw/zinc/95/23/90/1220952390.db2.gz XLDLNLIFYNXWBL-ZACQAIPSSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001103999800 1220996634 /nfs/dbraw/zinc/99/66/34/1220996634.db2.gz LHHWQEMZNKFBLP-KFWWJZLASA-N 2 1 363.462 0.782 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001103999724 1220996667 /nfs/dbraw/zinc/99/66/67/1220996667.db2.gz JAWKORJVRKNDPU-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000012 1220997161 /nfs/dbraw/zinc/99/71/61/1220997161.db2.gz SCYRCCLYDYMHGB-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)ncn1 ZINC001104034141 1221001090 /nfs/dbraw/zinc/00/10/90/1221001090.db2.gz UMXHBMDKKRLJKZ-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)ncn1 ZINC001104034141 1221001093 /nfs/dbraw/zinc/00/10/93/1221001093.db2.gz UMXHBMDKKRLJKZ-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033720 1221001167 /nfs/dbraw/zinc/00/11/67/1221001167.db2.gz FEOSLIZQWVZAPK-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033720 1221001170 /nfs/dbraw/zinc/00/11/70/1221001170.db2.gz FEOSLIZQWVZAPK-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751277 1221088853 /nfs/dbraw/zinc/08/88/53/1221088853.db2.gz OMFKPZDKIUVBKN-NSHGMRRFSA-N 2 1 365.518 0.962 20 0 FCADMP CN(CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)c1cc[nH+]cc1 ZINC001111794696 1221112744 /nfs/dbraw/zinc/11/27/44/1221112744.db2.gz FQUDNYXDGIIKES-KNBMTAEXSA-N 2 1 371.485 0.767 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H](C1CC1)[NH+]1CCCC1 ZINC001111817232 1221125062 /nfs/dbraw/zinc/12/50/62/1221125062.db2.gz VQUCQZZGOXTNQY-BJLQDIEVSA-N 2 1 365.518 0.840 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111870805 1221144159 /nfs/dbraw/zinc/14/41/59/1221144159.db2.gz NYELUQAQWJMXJI-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111870805 1221144162 /nfs/dbraw/zinc/14/41/62/1221144162.db2.gz NYELUQAQWJMXJI-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111870805 1221144166 /nfs/dbraw/zinc/14/41/66/1221144166.db2.gz NYELUQAQWJMXJI-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111870805 1221144169 /nfs/dbraw/zinc/14/41/69/1221144169.db2.gz NYELUQAQWJMXJI-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001111886403 1221151223 /nfs/dbraw/zinc/15/12/23/1221151223.db2.gz DRXMBMHICKKORJ-FCEWJHQRSA-N 2 1 364.490 0.985 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001111886403 1221151228 /nfs/dbraw/zinc/15/12/28/1221151228.db2.gz DRXMBMHICKKORJ-FCEWJHQRSA-N 2 1 364.490 0.985 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903890 1221158658 /nfs/dbraw/zinc/15/86/58/1221158658.db2.gz VNWZFJFNHODGLX-SCTDSRPQSA-N 2 1 364.490 0.950 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903890 1221158661 /nfs/dbraw/zinc/15/86/61/1221158661.db2.gz VNWZFJFNHODGLX-SCTDSRPQSA-N 2 1 364.490 0.950 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908632 1221162820 /nfs/dbraw/zinc/16/28/20/1221162820.db2.gz IUAYVLCFUIFCDV-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908632 1221162823 /nfs/dbraw/zinc/16/28/23/1221162823.db2.gz IUAYVLCFUIFCDV-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000782588198 1221172995 /nfs/dbraw/zinc/17/29/95/1221172995.db2.gz VVZJSSRNCCPBFW-IRXDYDNUSA-N 2 1 374.485 0.709 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000782588200 1221173502 /nfs/dbraw/zinc/17/35/02/1221173502.db2.gz VVZJSSRNCCPBFW-SJORKVTESA-N 2 1 374.485 0.709 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN([C@@H](C)c1nnnn1C)C2 ZINC001111950831 1221182357 /nfs/dbraw/zinc/18/23/57/1221182357.db2.gz CRXWPNBHSUETKK-MPGHIAIKSA-N 2 1 363.510 0.974 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983538 1221193854 /nfs/dbraw/zinc/19/38/54/1221193854.db2.gz MTDVHHDATFVSLP-ZWOKBUDYSA-N 2 1 362.518 0.777 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983538 1221193857 /nfs/dbraw/zinc/19/38/57/1221193857.db2.gz MTDVHHDATFVSLP-ZWOKBUDYSA-N 2 1 362.518 0.777 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983538 1221193858 /nfs/dbraw/zinc/19/38/58/1221193858.db2.gz MTDVHHDATFVSLP-ZWOKBUDYSA-N 2 1 362.518 0.777 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112397091 1221251915 /nfs/dbraw/zinc/25/19/15/1221251915.db2.gz RROBJXOMEIIXIO-KHYOSLBOSA-N 2 1 359.474 0.725 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001112401580 1221252616 /nfs/dbraw/zinc/25/26/16/1221252616.db2.gz MVOXEZVYAYCHGA-YWZLYKJASA-N 2 1 362.518 0.968 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229691894 1226027513 /nfs/dbraw/zinc/02/75/13/1226027513.db2.gz BILPJRNNVKSPIT-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692524 1226027767 /nfs/dbraw/zinc/02/77/67/1226027767.db2.gz JGFCSVFVPFCTAC-RBSFLKMASA-N 2 1 367.494 0.191 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229691891 1226028052 /nfs/dbraw/zinc/02/80/52/1226028052.db2.gz BILPJRNNVKSPIT-BRWVUGGUSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711157 1226029428 /nfs/dbraw/zinc/02/94/28/1226029428.db2.gz YAVOXXSDWWAIDL-HUUCEWRRSA-N 2 1 367.498 0.349 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001229860647 1226036980 /nfs/dbraw/zinc/03/69/80/1226036980.db2.gz XVKRDDPNGBDWRC-HUUCEWRRSA-N 2 1 362.478 0.774 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001229877389 1226038397 /nfs/dbraw/zinc/03/83/97/1226038397.db2.gz RVTDIGAHHBWTNZ-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001116953024 1221407476 /nfs/dbraw/zinc/40/74/76/1221407476.db2.gz KSPYUXZMGVVNEB-IAGOWNOFSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001116953024 1221407480 /nfs/dbraw/zinc/40/74/80/1221407480.db2.gz KSPYUXZMGVVNEB-IAGOWNOFSA-N 2 1 372.513 0.960 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061349 1221450560 /nfs/dbraw/zinc/45/05/60/1221450560.db2.gz ALNIFGCTMHYWIQ-QGZVFWFLSA-N 2 1 370.497 0.555 20 0 FCADMP Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001117076271 1221456665 /nfs/dbraw/zinc/45/66/65/1221456665.db2.gz NCQJOLLMYYXZPB-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001117076271 1221456674 /nfs/dbraw/zinc/45/66/74/1221456674.db2.gz NCQJOLLMYYXZPB-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001117076271 1221456685 /nfs/dbraw/zinc/45/66/85/1221456685.db2.gz NCQJOLLMYYXZPB-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC001117327808 1221519494 /nfs/dbraw/zinc/51/94/94/1221519494.db2.gz LSWMQRCXHICHBA-HNNXBMFYSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC001117327808 1221519500 /nfs/dbraw/zinc/51/95/00/1221519500.db2.gz LSWMQRCXHICHBA-HNNXBMFYSA-N 2 1 359.474 0.909 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)OCC1=O ZINC001277444031 1226050719 /nfs/dbraw/zinc/05/07/19/1226050719.db2.gz YQZHSYHAHBLVJF-IBGZPJMESA-N 2 1 360.458 0.150 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC001117841567 1221629185 /nfs/dbraw/zinc/62/91/85/1221629185.db2.gz HUJVORREEZWVLF-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001118098836 1221709389 /nfs/dbraw/zinc/70/93/89/1221709389.db2.gz BDHOZAMCXWVCJK-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001118098836 1221709391 /nfs/dbraw/zinc/70/93/91/1221709391.db2.gz BDHOZAMCXWVCJK-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001118098836 1221709392 /nfs/dbraw/zinc/70/93/92/1221709392.db2.gz BDHOZAMCXWVCJK-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118222191 1221736906 /nfs/dbraw/zinc/73/69/06/1221736906.db2.gz RZOJZJLXSSBYDI-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118222191 1221736910 /nfs/dbraw/zinc/73/69/10/1221736910.db2.gz RZOJZJLXSSBYDI-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP [NH3+]CCn1cc(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)nn1 ZINC001118505836 1221790540 /nfs/dbraw/zinc/79/05/40/1221790540.db2.gz HOWMLCZNJWLXLV-UHFFFAOYSA-N 2 1 372.477 0.447 20 0 FCADMP Cc1c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cnn1-c1cc[nH+]cc1 ZINC001118788011 1221829937 /nfs/dbraw/zinc/82/99/37/1221829937.db2.gz ZLJPDSNCGJGPMW-UHFFFAOYSA-N 2 1 358.446 0.668 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]c1 ZINC001119354682 1221904812 /nfs/dbraw/zinc/90/48/12/1221904812.db2.gz LGGWKSPKXJIGRG-MUJYYYPQSA-N 2 1 359.474 0.955 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001119362156 1221905951 /nfs/dbraw/zinc/90/59/51/1221905951.db2.gz ILOFBILMSSLPCP-SJLPKXTDSA-N 2 1 360.502 0.987 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC001119412116 1221913563 /nfs/dbraw/zinc/91/35/63/1221913563.db2.gz QVCVLURFKPFUOE-GVDBMIGSSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@H](O)C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783506 1226088465 /nfs/dbraw/zinc/08/84/65/1226088465.db2.gz LHIQLYHQSZBZCL-LZLYRXPVSA-N 2 1 364.490 0.490 20 0 FCADMP C[C@H](O)C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783506 1226088467 /nfs/dbraw/zinc/08/84/67/1226088467.db2.gz LHIQLYHQSZBZCL-LZLYRXPVSA-N 2 1 364.490 0.490 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]2C1 ZINC001119902437 1221996640 /nfs/dbraw/zinc/99/66/40/1221996640.db2.gz IFXNNVOTRHCXQX-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]2C1 ZINC001119902437 1221996645 /nfs/dbraw/zinc/99/66/45/1221996645.db2.gz IFXNNVOTRHCXQX-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]2C1 ZINC001119902437 1221996653 /nfs/dbraw/zinc/99/66/53/1221996653.db2.gz IFXNNVOTRHCXQX-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@@H]2C1 ZINC001119902437 1221996661 /nfs/dbraw/zinc/99/66/61/1221996661.db2.gz IFXNNVOTRHCXQX-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H](O)C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783506 1226088450 /nfs/dbraw/zinc/08/84/50/1226088450.db2.gz LHIQLYHQSZBZCL-LZLYRXPVSA-N 2 1 364.490 0.490 20 0 FCADMP C[C@H](O)C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783506 1226088458 /nfs/dbraw/zinc/08/84/58/1226088458.db2.gz LHIQLYHQSZBZCL-LZLYRXPVSA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4c3OCC4)C2)OCC1=O ZINC001277478086 1226094104 /nfs/dbraw/zinc/09/41/04/1226094104.db2.gz GLQDFBXYNGUTPV-HXUWFJFHSA-N 2 1 359.470 0.986 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC001120465043 1222090080 /nfs/dbraw/zinc/09/00/80/1222090080.db2.gz LTVCRQFCMUIENU-UHFFFAOYSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(c3ncnc(N4CC[C@@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC001120935065 1222131070 /nfs/dbraw/zinc/13/10/70/1222131070.db2.gz NDMKKILVTGRBCL-RTBURBONSA-N 2 1 357.506 0.936 20 0 FCADMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001231671175 1226116210 /nfs/dbraw/zinc/11/62/10/1226116210.db2.gz GXJRVEJDKBSVBT-CRAIPNDOSA-N 2 1 362.474 0.707 20 0 FCADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001231671175 1226116213 /nfs/dbraw/zinc/11/62/13/1226116213.db2.gz GXJRVEJDKBSVBT-CRAIPNDOSA-N 2 1 362.474 0.707 20 0 FCADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001231671175 1226116218 /nfs/dbraw/zinc/11/62/18/1226116218.db2.gz GXJRVEJDKBSVBT-CRAIPNDOSA-N 2 1 362.474 0.707 20 0 FCADMP O=C1CC[C@H](CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)N1 ZINC001202830406 1222508516 /nfs/dbraw/zinc/50/85/16/1222508516.db2.gz BSRAQPPQCVIJSL-BDXSIMOUSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)N1 ZINC001202830406 1222508522 /nfs/dbraw/zinc/50/85/22/1222508522.db2.gz BSRAQPPQCVIJSL-BDXSIMOUSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)N1 ZINC001202830406 1222508528 /nfs/dbraw/zinc/50/85/28/1222508528.db2.gz BSRAQPPQCVIJSL-BDXSIMOUSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)N1 ZINC001202830406 1222508531 /nfs/dbraw/zinc/50/85/31/1222508531.db2.gz BSRAQPPQCVIJSL-BDXSIMOUSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)N1 ZINC001202830406 1222508535 /nfs/dbraw/zinc/50/85/35/1222508535.db2.gz BSRAQPPQCVIJSL-BDXSIMOUSA-N 2 1 358.490 0.732 20 0 FCADMP COCCn1cc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001139779949 1222558834 /nfs/dbraw/zinc/55/88/34/1222558834.db2.gz KIZXTAMORSEWEH-UHFFFAOYSA-N 2 1 373.501 0.854 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000834529789 1222578328 /nfs/dbraw/zinc/57/83/28/1222578328.db2.gz YEXNDNTYSXBGGG-CALCHBBNSA-N 2 1 370.538 0.789 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000834529789 1222578334 /nfs/dbraw/zinc/57/83/34/1222578334.db2.gz YEXNDNTYSXBGGG-CALCHBBNSA-N 2 1 370.538 0.789 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000834605842 1222582725 /nfs/dbraw/zinc/58/27/25/1222582725.db2.gz VZZLJMMWVCAAOH-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000834605842 1222582730 /nfs/dbraw/zinc/58/27/30/1222582730.db2.gz VZZLJMMWVCAAOH-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000836317105 1222621608 /nfs/dbraw/zinc/62/16/08/1222621608.db2.gz CMZQXVPTTZVVJZ-HOCLYGCPSA-N 2 1 367.494 0.637 20 0 FCADMP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000836317105 1222621609 /nfs/dbraw/zinc/62/16/09/1222621609.db2.gz CMZQXVPTTZVVJZ-HOCLYGCPSA-N 2 1 367.494 0.637 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475739 1222681633 /nfs/dbraw/zinc/68/16/33/1222681633.db2.gz JPSASEIZWPMOIE-ROUUACIJSA-N 2 1 368.522 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+](C2CC2)C1 ZINC000841136752 1222809243 /nfs/dbraw/zinc/80/92/43/1222809243.db2.gz ZULVZUJREGSZLU-AWEZNQCLSA-N 2 1 360.458 0.905 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841190109 1222812837 /nfs/dbraw/zinc/81/28/37/1222812837.db2.gz PULVYCVYAFAAAQ-SFHVURJKSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000841208006 1222813668 /nfs/dbraw/zinc/81/36/68/1222813668.db2.gz WOQRTMQUNLZTJK-CVEARBPZSA-N 2 1 373.501 0.976 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000841215892 1222814116 /nfs/dbraw/zinc/81/41/16/1222814116.db2.gz RXVJIMSAUWSVDE-UHFFFAOYSA-N 2 1 369.416 0.477 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000842081740 1222835020 /nfs/dbraw/zinc/83/50/20/1222835020.db2.gz WZYHTTDQARTOHQ-PJPHBNEVSA-N 2 1 368.522 0.719 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000842081740 1222835021 /nfs/dbraw/zinc/83/50/21/1222835021.db2.gz WZYHTTDQARTOHQ-PJPHBNEVSA-N 2 1 368.522 0.719 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164385 1222838610 /nfs/dbraw/zinc/83/86/10/1222838610.db2.gz JMFSSCCKOVRZPX-IAGOWNOFSA-N 2 1 366.506 0.394 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000842189812 1222839871 /nfs/dbraw/zinc/83/98/71/1222839871.db2.gz QLTLUIVAAVPFGG-LVCYWYKZSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842190487 1222840209 /nfs/dbraw/zinc/84/02/09/1222840209.db2.gz SNSQQNIEIYTBEZ-LVCYWYKZSA-N 2 1 370.497 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843266870 1222868448 /nfs/dbraw/zinc/86/84/48/1222868448.db2.gz PSAVGXCQRPLVHV-BBWFWOEESA-N 2 1 368.522 0.722 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843266870 1222868449 /nfs/dbraw/zinc/86/84/49/1222868449.db2.gz PSAVGXCQRPLVHV-BBWFWOEESA-N 2 1 368.522 0.722 20 0 FCADMP COc1cc(N(C(=O)CC[NH+]2CCN(C)CC2)C2CC[NH2+]CC2)ccn1 ZINC001143230516 1222871513 /nfs/dbraw/zinc/87/15/13/1222871513.db2.gz ATMZELCMPOXSBI-UHFFFAOYSA-N 2 1 361.490 0.813 20 0 FCADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000843348825 1222871683 /nfs/dbraw/zinc/87/16/83/1222871683.db2.gz RQMNTCBAOSGGKM-XYEKJYRLSA-N 2 1 365.478 0.578 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733562 1222888350 /nfs/dbraw/zinc/88/83/50/1222888350.db2.gz ISESUFKFOMHCGR-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733562 1222888353 /nfs/dbraw/zinc/88/83/53/1222888353.db2.gz ISESUFKFOMHCGR-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733562 1222888355 /nfs/dbraw/zinc/88/83/55/1222888355.db2.gz ISESUFKFOMHCGR-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733562 1222888358 /nfs/dbraw/zinc/88/83/58/1222888358.db2.gz ISESUFKFOMHCGR-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCNC(=O)C3CC3)CCCO2)CC[N@@H+]1C ZINC001149733519 1222888780 /nfs/dbraw/zinc/88/87/80/1222888780.db2.gz HCWCMNPCBSTHCI-HYVNUMGLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCNC(=O)C3CC3)CCCO2)CC[N@H+]1C ZINC001149733519 1222888783 /nfs/dbraw/zinc/88/87/83/1222888783.db2.gz HCWCMNPCBSTHCI-HYVNUMGLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCNC(=O)C3CC3)CCCO2)CC[NH+]1C ZINC001149733519 1222888784 /nfs/dbraw/zinc/88/87/84/1222888784.db2.gz HCWCMNPCBSTHCI-HYVNUMGLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCNC(=O)C3CC3)CCCO2)CC[NH+]1C ZINC001149733519 1222888785 /nfs/dbraw/zinc/88/87/85/1222888785.db2.gz HCWCMNPCBSTHCI-HYVNUMGLSA-N 2 1 366.506 0.060 20 0 FCADMP CCCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149882203 1222890788 /nfs/dbraw/zinc/89/07/88/1222890788.db2.gz ZLYCCXZZBGPKPB-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149882203 1222890793 /nfs/dbraw/zinc/89/07/93/1222890793.db2.gz ZLYCCXZZBGPKPB-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149882203 1222890797 /nfs/dbraw/zinc/89/07/97/1222890797.db2.gz ZLYCCXZZBGPKPB-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149882203 1222890799 /nfs/dbraw/zinc/89/07/99/1222890799.db2.gz ZLYCCXZZBGPKPB-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881243 1222891253 /nfs/dbraw/zinc/89/12/53/1222891253.db2.gz IYWWPRJHUSKNDP-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881243 1222891255 /nfs/dbraw/zinc/89/12/55/1222891255.db2.gz IYWWPRJHUSKNDP-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881243 1222891258 /nfs/dbraw/zinc/89/12/58/1222891258.db2.gz IYWWPRJHUSKNDP-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881243 1222891259 /nfs/dbraw/zinc/89/12/59/1222891259.db2.gz IYWWPRJHUSKNDP-FGTMMUONSA-N 2 1 371.522 0.729 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[NH+](C)C3)cn21 ZINC001150405915 1222902063 /nfs/dbraw/zinc/90/20/63/1222902063.db2.gz IPNBTTBDRLBQNQ-HOCLYGCPSA-N 2 1 371.489 0.329 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[NH+](C)C3)cn21 ZINC001150405915 1222902067 /nfs/dbraw/zinc/90/20/67/1222902067.db2.gz IPNBTTBDRLBQNQ-HOCLYGCPSA-N 2 1 371.489 0.329 20 0 FCADMP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cn21 ZINC001150405915 1222902075 /nfs/dbraw/zinc/90/20/75/1222902075.db2.gz IPNBTTBDRLBQNQ-HOCLYGCPSA-N 2 1 371.489 0.329 20 0 FCADMP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cn21 ZINC001150405915 1222902082 /nfs/dbraw/zinc/90/20/82/1222902082.db2.gz IPNBTTBDRLBQNQ-HOCLYGCPSA-N 2 1 371.489 0.329 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](C[C@H](O)COC)CC1 ZINC001151138044 1222917741 /nfs/dbraw/zinc/91/77/41/1222917741.db2.gz RITKKXBSRICBKO-IXDOHACOSA-N 2 1 371.522 0.321 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCOCCNC(C)=O)CC[N@H+]1C ZINC001153501356 1222978217 /nfs/dbraw/zinc/97/82/17/1222978217.db2.gz LOMJIPSGFCXKTE-BPQIPLTHSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCOCCNC(C)=O)CC[NH+]1C ZINC001153501356 1222978224 /nfs/dbraw/zinc/97/82/24/1222978224.db2.gz LOMJIPSGFCXKTE-BPQIPLTHSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCNC(C)=O)CC[NH+]1C ZINC001153501356 1222978239 /nfs/dbraw/zinc/97/82/39/1222978239.db2.gz LOMJIPSGFCXKTE-BPQIPLTHSA-N 2 1 370.538 0.696 20 0 FCADMP CN1CCN(c2ccc(N3CCN(c4ncccc4N)CC3)nn2)CC1 ZINC001154782583 1223018588 /nfs/dbraw/zinc/01/85/88/1223018588.db2.gz SZAUWXBWUGOJRX-UHFFFAOYSA-N 2 1 354.462 0.532 20 0 FCADMP C(Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483766 1223035709 /nfs/dbraw/zinc/03/57/09/1223035709.db2.gz SQLLPVXCWDXYGW-RBSFLKMASA-N 2 1 359.478 0.140 20 0 FCADMP C(Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155596463 1223039040 /nfs/dbraw/zinc/03/90/40/1223039040.db2.gz HUZRIECSJAUWES-AUUYWEPGSA-N 2 1 374.489 0.487 20 0 FCADMP C(Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155596466 1223039469 /nfs/dbraw/zinc/03/94/69/1223039469.db2.gz HUZRIECSJAUWES-LIRRHRJNSA-N 2 1 374.489 0.487 20 0 FCADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721523 1223081027 /nfs/dbraw/zinc/08/10/27/1223081027.db2.gz ZAPJBVKYJWEFTI-ZWKOTPCHSA-N 3 1 358.486 0.155 20 0 FCADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721523 1223081031 /nfs/dbraw/zinc/08/10/31/1223081031.db2.gz ZAPJBVKYJWEFTI-ZWKOTPCHSA-N 3 1 358.486 0.155 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167873 1223090292 /nfs/dbraw/zinc/09/02/92/1223090292.db2.gz MQQKDWLQCOFEAZ-GUDVDZBRSA-N 2 1 358.486 0.297 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167873 1223090295 /nfs/dbraw/zinc/09/02/95/1223090295.db2.gz MQQKDWLQCOFEAZ-GUDVDZBRSA-N 2 1 358.486 0.297 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)Nc2ncccn2)CC[N@H+]1C ZINC001158404176 1223096821 /nfs/dbraw/zinc/09/68/21/1223096821.db2.gz RJXXFUHYEXSZSO-SOUVJXGZSA-N 2 1 362.478 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001158412585 1223097422 /nfs/dbraw/zinc/09/74/22/1223097422.db2.gz PZWVILMQUSQOJB-LSDHHAIUSA-N 2 1 365.526 0.797 20 0 FCADMP C[N@@H+](C1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C1)[C@H]1CCOC1 ZINC001158738100 1223106592 /nfs/dbraw/zinc/10/65/92/1223106592.db2.gz ZAQWVEZAPWVPGX-HNNXBMFYSA-N 2 1 373.505 0.981 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CCC2 ZINC001159481811 1223128000 /nfs/dbraw/zinc/12/80/00/1223128000.db2.gz VZBKUMYOBORJPB-HWWDLCQESA-N 2 1 359.474 0.281 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)C2 ZINC001159472690 1223128025 /nfs/dbraw/zinc/12/80/25/1223128025.db2.gz XXIDNYHVBVRSKM-GNVJSZRZSA-N 2 1 362.518 0.415 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)C2 ZINC001159472690 1223128026 /nfs/dbraw/zinc/12/80/26/1223128026.db2.gz XXIDNYHVBVRSKM-GNVJSZRZSA-N 2 1 362.518 0.415 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)C2 ZINC001159472690 1223128029 /nfs/dbraw/zinc/12/80/29/1223128029.db2.gz XXIDNYHVBVRSKM-GNVJSZRZSA-N 2 1 362.518 0.415 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@@H]21 ZINC001159534660 1223129223 /nfs/dbraw/zinc/12/92/23/1223129223.db2.gz PMFBCBBYQGZSBX-OWSLCNJRSA-N 3 1 362.522 0.649 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@@H]21 ZINC001159534662 1223129412 /nfs/dbraw/zinc/12/94/12/1223129412.db2.gz PMFBCBBYQGZSBX-XDNAFOTISA-N 3 1 362.522 0.649 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CCC(O)CC3)CC[C@@H]2C1 ZINC001159636556 1223131674 /nfs/dbraw/zinc/13/16/74/1223131674.db2.gz UPRLMVLTSJYDEM-GNBAHCQZSA-N 2 1 369.506 0.061 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)[C@@H]2C ZINC001159632996 1223131737 /nfs/dbraw/zinc/13/17/37/1223131737.db2.gz DVKVASBCFUYOKB-VCBZYWHSSA-N 2 1 360.506 0.578 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@H]2C ZINC001159634134 1223131780 /nfs/dbraw/zinc/13/17/80/1223131780.db2.gz WKPJBOFBFKQEOM-XJKSGUPXSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@H]2C ZINC001159634134 1223131781 /nfs/dbraw/zinc/13/17/81/1223131781.db2.gz WKPJBOFBFKQEOM-XJKSGUPXSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@H]2C ZINC001159634134 1223131782 /nfs/dbraw/zinc/13/17/82/1223131782.db2.gz WKPJBOFBFKQEOM-XJKSGUPXSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)[C@H]2C ZINC001159632995 1223131820 /nfs/dbraw/zinc/13/18/20/1223131820.db2.gz DVKVASBCFUYOKB-KHYOSLBOSA-N 2 1 360.506 0.578 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@@H]2C ZINC001159634132 1223131984 /nfs/dbraw/zinc/13/19/84/1223131984.db2.gz WKPJBOFBFKQEOM-CJNGLKHVSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@@H]2C ZINC001159634132 1223131988 /nfs/dbraw/zinc/13/19/88/1223131988.db2.gz WKPJBOFBFKQEOM-CJNGLKHVSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@@H]2C ZINC001159634132 1223131991 /nfs/dbraw/zinc/13/19/91/1223131991.db2.gz WKPJBOFBFKQEOM-CJNGLKHVSA-N 2 1 359.478 0.920 20 0 FCADMP O=C(N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159854527 1223138311 /nfs/dbraw/zinc/13/83/11/1223138311.db2.gz FDZHZVIUZNIWCT-JYJIFUJCSA-N 2 1 374.460 0.441 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856315 1223138446 /nfs/dbraw/zinc/13/84/46/1223138446.db2.gz SWJRGHKOAJHQEU-KBAYOESNSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856315 1223138447 /nfs/dbraw/zinc/13/84/47/1223138447.db2.gz SWJRGHKOAJHQEU-KBAYOESNSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856315 1223138449 /nfs/dbraw/zinc/13/84/49/1223138449.db2.gz SWJRGHKOAJHQEU-KBAYOESNSA-N 2 1 373.432 0.783 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001159929696 1223139793 /nfs/dbraw/zinc/13/97/93/1223139793.db2.gz JDAKCCMVKQOYKA-GNBUJSLZSA-N 2 1 364.534 0.772 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001159929696 1223139796 /nfs/dbraw/zinc/13/97/96/1223139796.db2.gz JDAKCCMVKQOYKA-GNBUJSLZSA-N 2 1 364.534 0.772 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160050045 1223143525 /nfs/dbraw/zinc/14/35/25/1223143525.db2.gz RHGCQLUTLXMDMS-YLJYHZDGSA-N 2 1 374.485 0.415 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160058628 1223143531 /nfs/dbraw/zinc/14/35/31/1223143531.db2.gz LRRYZRHRECQHKP-INIZCTEOSA-N 3 1 371.489 0.632 20 0 FCADMP [NH3+][C@H](C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1)C1CC[NH2+]CC1 ZINC001160065276 1223144060 /nfs/dbraw/zinc/14/40/60/1223144060.db2.gz IARNCWSUVRFXIC-SFHVURJKSA-N 3 1 369.473 0.241 20 0 FCADMP [NH3+]C[C@@H]1COc2ccccc2N1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160200292 1223149362 /nfs/dbraw/zinc/14/93/62/1223149362.db2.gz MLJJULQJTLSOGX-CYBMUJFWSA-N 2 1 368.441 0.774 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160309846 1223153606 /nfs/dbraw/zinc/15/36/06/1223153606.db2.gz BZPVAWCGMDJTTR-SCLBCKFNSA-N 2 1 360.414 0.047 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160421015 1223158355 /nfs/dbraw/zinc/15/83/55/1223158355.db2.gz NIJGGFUOQWHOSF-UHFFFAOYSA-N 2 1 360.433 0.980 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001160422407 1223159023 /nfs/dbraw/zinc/15/90/23/1223159023.db2.gz FQOCRJTXPDMJSR-DZRGKWQISA-N 2 1 358.486 0.863 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423163 1223159150 /nfs/dbraw/zinc/15/91/50/1223159150.db2.gz KQLQSLNTENZJER-OQIJWPOYSA-N 2 1 357.502 0.702 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001160424478 1223159260 /nfs/dbraw/zinc/15/92/60/1223159260.db2.gz VAULNAONMSXBRE-DLVXIWMQSA-N 2 1 357.502 0.831 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001160467494 1223160664 /nfs/dbraw/zinc/16/06/64/1223160664.db2.gz VBKSQUZWUXKMKE-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001160467494 1223160666 /nfs/dbraw/zinc/16/06/66/1223160666.db2.gz VBKSQUZWUXKMKE-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001160467494 1223160670 /nfs/dbraw/zinc/16/06/70/1223160670.db2.gz VBKSQUZWUXKMKE-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+]([C@H]3CCN(C)C3=O)CC2)O1 ZINC001160467494 1223160675 /nfs/dbraw/zinc/16/06/75/1223160675.db2.gz VBKSQUZWUXKMKE-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489534 1223162354 /nfs/dbraw/zinc/16/23/54/1223162354.db2.gz BUOPICIZYVMXOC-SFHVURJKSA-N 2 1 361.490 0.402 20 0 FCADMP COC(=O)C1CCN(c2nccnc2N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001160513883 1223163534 /nfs/dbraw/zinc/16/35/34/1223163534.db2.gz SEZWGPRIINNZML-IBGZPJMESA-N 2 1 374.489 0.701 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN(CCF)CC1 ZINC001160628374 1223166854 /nfs/dbraw/zinc/16/68/54/1223166854.db2.gz COEVQTIJJDNNKQ-SFHVURJKSA-N 2 1 360.477 0.822 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN(CCF)CC1 ZINC001160628374 1223166856 /nfs/dbraw/zinc/16/68/56/1223166856.db2.gz COEVQTIJJDNNKQ-SFHVURJKSA-N 2 1 360.477 0.822 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656497 1223168099 /nfs/dbraw/zinc/16/80/99/1223168099.db2.gz XRYBBXKNDQXVOQ-OWCLPIDISA-N 2 1 363.458 0.432 20 0 FCADMP O=C(N1CCN(c2cccc3[nH]ncc32)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160668689 1223168167 /nfs/dbraw/zinc/16/81/67/1223168167.db2.gz ZACCARAQWUJCIS-AUUYWEPGSA-N 2 1 354.458 0.411 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704526 1223169259 /nfs/dbraw/zinc/16/92/59/1223169259.db2.gz LLIYCSDZIBZLST-CEXWTWQISA-N 2 1 354.498 0.728 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704526 1223169260 /nfs/dbraw/zinc/16/92/60/1223169260.db2.gz LLIYCSDZIBZLST-CEXWTWQISA-N 3 1 354.498 0.728 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704526 1223169262 /nfs/dbraw/zinc/16/92/62/1223169262.db2.gz LLIYCSDZIBZLST-CEXWTWQISA-N 3 1 354.498 0.728 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704526 1223169264 /nfs/dbraw/zinc/16/92/64/1223169264.db2.gz LLIYCSDZIBZLST-CEXWTWQISA-N 3 1 354.498 0.728 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]2C1 ZINC001160704526 1223169265 /nfs/dbraw/zinc/16/92/65/1223169265.db2.gz LLIYCSDZIBZLST-CEXWTWQISA-N 3 1 354.498 0.728 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCc3cc(=O)oc4cc(O)ccc34)C[C@H]2C1 ZINC001160703823 1223169340 /nfs/dbraw/zinc/16/93/40/1223169340.db2.gz FJHDDDNPURFQEW-VBQJREDUSA-N 2 1 371.437 0.779 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160840141 1223176631 /nfs/dbraw/zinc/17/66/31/1223176631.db2.gz VLCXAIPLQRBJEZ-UHFFFAOYSA-N 2 1 356.474 0.725 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CCc2ccccc2)O1 ZINC001160851259 1223177350 /nfs/dbraw/zinc/17/73/50/1223177350.db2.gz UWHJXWUUHOIPTB-NZSAHSFTSA-N 2 1 363.502 0.795 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CCc2ccccc2)O1 ZINC001160851259 1223177353 /nfs/dbraw/zinc/17/73/53/1223177353.db2.gz UWHJXWUUHOIPTB-NZSAHSFTSA-N 2 1 363.502 0.795 20 0 FCADMP CC(C)CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160858160 1223178374 /nfs/dbraw/zinc/17/83/74/1223178374.db2.gz YPINKZJNCOKRCH-BRWVUGGUSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160858160 1223178375 /nfs/dbraw/zinc/17/83/75/1223178375.db2.gz YPINKZJNCOKRCH-BRWVUGGUSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161049290 1223184559 /nfs/dbraw/zinc/18/45/59/1223184559.db2.gz FLIAAERZLPANHO-IKGGRYGDSA-N 3 1 367.538 0.375 20 0 FCADMP O=C(C[C@H]1CCC[NH2+]C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196383 1223188315 /nfs/dbraw/zinc/18/83/15/1223188315.db2.gz FQDOKJUKINQRHE-LJQANCHMSA-N 3 1 366.550 0.927 20 0 FCADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)CC1 ZINC001161174663 1223188574 /nfs/dbraw/zinc/18/85/74/1223188574.db2.gz BWNIGUHAZZMFNM-INIZCTEOSA-N 2 1 359.474 0.738 20 0 FCADMP C[C@H]1CC[NH2+][C@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197024 1223189403 /nfs/dbraw/zinc/18/94/03/1223189403.db2.gz WIQRBBSBJMZALR-HKUYNNGSSA-N 3 1 366.550 0.925 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430975 1223199091 /nfs/dbraw/zinc/19/90/91/1223199091.db2.gz SHNRHSDQLRYNQD-IBGZPJMESA-N 2 1 359.518 0.518 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161547546 1223204141 /nfs/dbraw/zinc/20/41/41/1223204141.db2.gz LICOIJBERLOJSC-DLBZAZTESA-N 2 1 357.454 0.872 20 0 FCADMP C[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC001161976832 1223209349 /nfs/dbraw/zinc/20/93/49/1223209349.db2.gz UWPDTOOLBMVEDU-SFHVURJKSA-N 2 1 374.529 0.766 20 0 FCADMP COCCOc1cc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)ncn1 ZINC001162110902 1223210864 /nfs/dbraw/zinc/21/08/64/1223210864.db2.gz WWBTXITXFPNVCU-UHFFFAOYSA-N 2 1 359.434 0.831 20 0 FCADMP O=c1cc(CNc2cc[nH+]c(N3CCOCC3)c2)nc2n1CCC[NH2+]C2 ZINC001163115880 1223226164 /nfs/dbraw/zinc/22/61/64/1223226164.db2.gz NGEAWFDGQJSCAD-UHFFFAOYSA-N 2 1 356.430 0.580 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2ccc(OC3CC[NH2+]CC3)nn2)C1 ZINC001163124776 1223227256 /nfs/dbraw/zinc/22/72/56/1223227256.db2.gz RUJFORGJNDJNPS-MRXNPFEDSA-N 2 1 363.462 0.713 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163306732 1223229242 /nfs/dbraw/zinc/22/92/42/1223229242.db2.gz SQQVNMSESSILRF-LPHOPBHVSA-N 2 1 359.474 0.792 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165371114 1223245393 /nfs/dbraw/zinc/24/53/93/1223245393.db2.gz CTXZBATUJCMRRR-GJZGRUSLSA-N 2 1 371.363 0.601 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(C)(C)C)CC2)O1 ZINC001165711083 1223254878 /nfs/dbraw/zinc/25/48/78/1223254878.db2.gz DMWUAFMDDHQDOT-HUUCEWRRSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(C)(C)C)CC2)O1 ZINC001165711083 1223254880 /nfs/dbraw/zinc/25/48/80/1223254880.db2.gz DMWUAFMDDHQDOT-HUUCEWRRSA-N 2 1 368.522 0.496 20 0 FCADMP Cn1cc(C(=O)NCc2cnc3n2CCN(Cc2ccc[nH]2)CC3)cn1 ZINC001204007051 1223297940 /nfs/dbraw/zinc/29/79/40/1223297940.db2.gz XGVOZODUTGBONA-UHFFFAOYSA-N 2 1 353.430 0.933 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205211225 1223316848 /nfs/dbraw/zinc/31/68/48/1223316848.db2.gz BDVNWTNELWMHQC-IPMKNSEASA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001205211225 1223316852 /nfs/dbraw/zinc/31/68/52/1223316852.db2.gz BDVNWTNELWMHQC-IPMKNSEASA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001205211225 1223316854 /nfs/dbraw/zinc/31/68/54/1223316854.db2.gz BDVNWTNELWMHQC-IPMKNSEASA-N 2 1 361.486 0.394 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(C)(C)C)CC2)O1 ZINC001205515890 1223329619 /nfs/dbraw/zinc/32/96/19/1223329619.db2.gz FIKLNVZYNZGODS-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(C)(C)C)CC2)O1 ZINC001205515890 1223329621 /nfs/dbraw/zinc/32/96/21/1223329621.db2.gz FIKLNVZYNZGODS-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(CC[C@@H]([NH3+])C(N)=O)n2)c1 ZINC001205871516 1223340801 /nfs/dbraw/zinc/34/08/01/1223340801.db2.gz SXSCSKDTVILLDJ-CQSZACIVSA-N 2 1 368.397 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001206980334 1223401292 /nfs/dbraw/zinc/40/12/92/1223401292.db2.gz XBJPLGSXAJJHTE-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC001206980334 1223401297 /nfs/dbraw/zinc/40/12/97/1223401297.db2.gz XBJPLGSXAJJHTE-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001207435845 1223446824 /nfs/dbraw/zinc/44/68/24/1223446824.db2.gz XQOHJEDVWVNRMT-JQHSSLGASA-N 2 1 359.474 0.685 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563290 1223457000 /nfs/dbraw/zinc/45/70/00/1223457000.db2.gz NZAHBOLUQQTWIK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563290 1223457002 /nfs/dbraw/zinc/45/70/02/1223457002.db2.gz NZAHBOLUQQTWIK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563290 1223457004 /nfs/dbraw/zinc/45/70/04/1223457004.db2.gz NZAHBOLUQQTWIK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563290 1223457007 /nfs/dbraw/zinc/45/70/07/1223457007.db2.gz NZAHBOLUQQTWIK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)nc1C ZINC001276541430 1223460332 /nfs/dbraw/zinc/46/03/32/1223460332.db2.gz DAFCTUUFAIMDIK-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)nc1C ZINC001276541430 1223460334 /nfs/dbraw/zinc/46/03/34/1223460334.db2.gz DAFCTUUFAIMDIK-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207602353 1223460659 /nfs/dbraw/zinc/46/06/59/1223460659.db2.gz QJGMNGBSDIUAQH-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207602353 1223460663 /nfs/dbraw/zinc/46/06/63/1223460663.db2.gz QJGMNGBSDIUAQH-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207602353 1223460667 /nfs/dbraw/zinc/46/06/67/1223460667.db2.gz QJGMNGBSDIUAQH-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001207750322 1223476250 /nfs/dbraw/zinc/47/62/50/1223476250.db2.gz PZSYALAHTNWNKD-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001207750322 1223476254 /nfs/dbraw/zinc/47/62/54/1223476254.db2.gz PZSYALAHTNWNKD-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001207750322 1223476257 /nfs/dbraw/zinc/47/62/57/1223476257.db2.gz PZSYALAHTNWNKD-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001207750322 1223476259 /nfs/dbraw/zinc/47/62/59/1223476259.db2.gz PZSYALAHTNWNKD-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001208361881 1223535375 /nfs/dbraw/zinc/53/53/75/1223535375.db2.gz JQDQRJNHJQTZFW-RRFJBIMHSA-N 2 1 363.462 0.247 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411161 1223540503 /nfs/dbraw/zinc/54/05/03/1223540503.db2.gz NXZVIKGZNJOVPN-OWCLPIDISA-N 2 1 368.522 0.591 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411161 1223540505 /nfs/dbraw/zinc/54/05/05/1223540505.db2.gz NXZVIKGZNJOVPN-OWCLPIDISA-N 2 1 368.522 0.591 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428449 1223544232 /nfs/dbraw/zinc/54/42/32/1223544232.db2.gz WHXTXQOPQRXKKJ-UWWQBHOKSA-N 2 1 364.490 0.853 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428449 1223544236 /nfs/dbraw/zinc/54/42/36/1223544236.db2.gz WHXTXQOPQRXKKJ-UWWQBHOKSA-N 2 1 364.490 0.853 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441329 1223546652 /nfs/dbraw/zinc/54/66/52/1223546652.db2.gz FMWWRRSFYOTIJW-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441329 1223546656 /nfs/dbraw/zinc/54/66/56/1223546656.db2.gz FMWWRRSFYOTIJW-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208638174 1223566072 /nfs/dbraw/zinc/56/60/72/1223566072.db2.gz VRTVXCBVNGDGCI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208638174 1223566075 /nfs/dbraw/zinc/56/60/75/1223566075.db2.gz VRTVXCBVNGDGCI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208638174 1223566078 /nfs/dbraw/zinc/56/60/78/1223566078.db2.gz VRTVXCBVNGDGCI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208638174 1223566082 /nfs/dbraw/zinc/56/60/82/1223566082.db2.gz VRTVXCBVNGDGCI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676318 1223569760 /nfs/dbraw/zinc/56/97/60/1223569760.db2.gz MMJANSNHUKBEOL-NXHRZFHOSA-N 2 1 360.502 0.861 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676318 1223569761 /nfs/dbraw/zinc/56/97/61/1223569761.db2.gz MMJANSNHUKBEOL-NXHRZFHOSA-N 2 1 360.502 0.861 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676318 1223569764 /nfs/dbraw/zinc/56/97/64/1223569764.db2.gz MMJANSNHUKBEOL-NXHRZFHOSA-N 2 1 360.502 0.861 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677333 1223569782 /nfs/dbraw/zinc/56/97/82/1223569782.db2.gz ZHAOSIAWEXYOGL-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677333 1223569783 /nfs/dbraw/zinc/56/97/83/1223569783.db2.gz ZHAOSIAWEXYOGL-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677333 1223569784 /nfs/dbraw/zinc/56/97/84/1223569784.db2.gz ZHAOSIAWEXYOGL-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208677333 1223569785 /nfs/dbraw/zinc/56/97/85/1223569785.db2.gz ZHAOSIAWEXYOGL-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150201 1223601204 /nfs/dbraw/zinc/60/12/04/1223601204.db2.gz OAPGVVZBMMEIEG-BPQIPLTHSA-N 2 1 371.522 0.179 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150133 1223601382 /nfs/dbraw/zinc/60/13/82/1223601382.db2.gz LLUOOKJDVPYBQD-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150133 1223601384 /nfs/dbraw/zinc/60/13/84/1223601384.db2.gz LLUOOKJDVPYBQD-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327159 1223611163 /nfs/dbraw/zinc/61/11/63/1223611163.db2.gz DJOFNOSQXMHLCU-CKEIUWERSA-N 2 1 357.458 0.924 20 0 FCADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327159 1223611166 /nfs/dbraw/zinc/61/11/66/1223611166.db2.gz DJOFNOSQXMHLCU-CKEIUWERSA-N 2 1 357.458 0.924 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209341333 1223612565 /nfs/dbraw/zinc/61/25/65/1223612565.db2.gz MIVINRKLGSGKOP-AWEZNQCLSA-N 2 1 362.474 0.201 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506680 1223626514 /nfs/dbraw/zinc/62/65/14/1223626514.db2.gz QVHKFCFWDDCDRR-GDBMZVCRSA-N 2 1 365.478 0.469 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506680 1223626515 /nfs/dbraw/zinc/62/65/15/1223626515.db2.gz QVHKFCFWDDCDRR-GDBMZVCRSA-N 2 1 365.478 0.469 20 0 FCADMP Cc1n[nH]cc1CN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001209555565 1223630950 /nfs/dbraw/zinc/63/09/50/1223630950.db2.gz HCHYPHTWBZVMHM-UHFFFAOYSA-N 2 1 368.445 0.636 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566107 1223631692 /nfs/dbraw/zinc/63/16/92/1223631692.db2.gz OADPRAKXGZVFJG-OAGGEKHMSA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566107 1223631696 /nfs/dbraw/zinc/63/16/96/1223631696.db2.gz OADPRAKXGZVFJG-OAGGEKHMSA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566107 1223631697 /nfs/dbraw/zinc/63/16/97/1223631697.db2.gz OADPRAKXGZVFJG-OAGGEKHMSA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566107 1223631699 /nfs/dbraw/zinc/63/16/99/1223631699.db2.gz OADPRAKXGZVFJG-OAGGEKHMSA-N 2 1 366.506 0.740 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001209643263 1223636599 /nfs/dbraw/zinc/63/65/99/1223636599.db2.gz WWQRNJZMFBORJE-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@H+]2Cc2cnccc2N)cn1 ZINC001209725964 1223643819 /nfs/dbraw/zinc/64/38/19/1223643819.db2.gz NIPMGJIVZYZDFP-MOPGFXCFSA-N 2 1 356.474 0.745 20 0 FCADMP Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2c[nH+]ccc2N)cn1 ZINC001209725964 1223643821 /nfs/dbraw/zinc/64/38/21/1223643821.db2.gz NIPMGJIVZYZDFP-MOPGFXCFSA-N 2 1 356.474 0.745 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001276669959 1223643837 /nfs/dbraw/zinc/64/38/37/1223643837.db2.gz DBWCKNYWTOPAAR-GOSISDBHSA-N 2 1 363.462 0.269 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297441 1223681640 /nfs/dbraw/zinc/68/16/40/1223681640.db2.gz FYEIFNOCPLDTBZ-ZTFGCOKTSA-N 2 1 367.465 0.874 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321542 1223682805 /nfs/dbraw/zinc/68/28/05/1223682805.db2.gz FYZBJILSXYSUCM-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321542 1223682814 /nfs/dbraw/zinc/68/28/14/1223682814.db2.gz FYZBJILSXYSUCM-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213191458 1223765274 /nfs/dbraw/zinc/76/52/74/1223765274.db2.gz AUFFHAQPSIHHGZ-CBYDULDESA-N 2 1 367.490 0.090 20 0 FCADMP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001213191458 1223765277 /nfs/dbraw/zinc/76/52/77/1223765277.db2.gz AUFFHAQPSIHHGZ-CBYDULDESA-N 2 1 367.490 0.090 20 0 FCADMP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001213191458 1223765280 /nfs/dbraw/zinc/76/52/80/1223765280.db2.gz AUFFHAQPSIHHGZ-CBYDULDESA-N 2 1 367.490 0.090 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213111 1223769721 /nfs/dbraw/zinc/76/97/21/1223769721.db2.gz GACIEIXSJYUNCZ-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213223845 1223772172 /nfs/dbraw/zinc/77/21/72/1223772172.db2.gz BPOMTWHXXBEYKR-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213223845 1223772174 /nfs/dbraw/zinc/77/21/74/1223772174.db2.gz BPOMTWHXXBEYKR-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329106 1223786429 /nfs/dbraw/zinc/78/64/29/1223786429.db2.gz RBVGUNGFAAWIIL-KURKYZTESA-N 2 1 371.522 0.728 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329106 1223786430 /nfs/dbraw/zinc/78/64/30/1223786430.db2.gz RBVGUNGFAAWIIL-KURKYZTESA-N 2 1 371.522 0.728 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329106 1223786432 /nfs/dbraw/zinc/78/64/32/1223786432.db2.gz RBVGUNGFAAWIIL-KURKYZTESA-N 2 1 371.522 0.728 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329106 1223786434 /nfs/dbraw/zinc/78/64/34/1223786434.db2.gz RBVGUNGFAAWIIL-KURKYZTESA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342453 1223788899 /nfs/dbraw/zinc/78/88/99/1223788899.db2.gz YCUGRNQBDOOCEC-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342374 1223788976 /nfs/dbraw/zinc/78/89/76/1223788976.db2.gz UJUFPJBQDHRIFO-BRWVUGGUSA-N 2 1 371.522 0.177 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348845 1223789281 /nfs/dbraw/zinc/78/92/81/1223789281.db2.gz WXUJPUWMQMZXSL-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348845 1223789282 /nfs/dbraw/zinc/78/92/82/1223789282.db2.gz WXUJPUWMQMZXSL-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348586 1223789359 /nfs/dbraw/zinc/78/93/59/1223789359.db2.gz PJNOHCPGYWGCIF-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348586 1223789362 /nfs/dbraw/zinc/78/93/62/1223789362.db2.gz PJNOHCPGYWGCIF-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555432 1223812979 /nfs/dbraw/zinc/81/29/79/1223812979.db2.gz LSGGMTDLTCGELP-IAGOWNOFSA-N 2 1 367.494 0.300 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755448 1223844981 /nfs/dbraw/zinc/84/49/81/1223844981.db2.gz AMAXHIGOTXMLIA-GVDBMIGSSA-N 2 1 370.538 0.694 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213864025 1223863738 /nfs/dbraw/zinc/86/37/38/1223863738.db2.gz YAZZRQFDRZKJFE-CGTJXYLNSA-N 2 1 369.506 0.339 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916647 1223871395 /nfs/dbraw/zinc/87/13/95/1223871395.db2.gz BQERWJHWFMHFIS-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916647 1223871397 /nfs/dbraw/zinc/87/13/97/1223871397.db2.gz BQERWJHWFMHFIS-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921489 1223873212 /nfs/dbraw/zinc/87/32/12/1223873212.db2.gz BLIHKQSTYMUPRQ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921489 1223873214 /nfs/dbraw/zinc/87/32/14/1223873214.db2.gz BLIHKQSTYMUPRQ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCC(=O)OC(C)(C)C)C2 ZINC001276709116 1223894039 /nfs/dbraw/zinc/89/40/39/1223894039.db2.gz QPATZABZPVDOJS-LJQANCHMSA-N 2 1 369.506 0.831 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335895 1223902308 /nfs/dbraw/zinc/90/23/08/1223902308.db2.gz LZJXLGYFIVUELY-ZACQAIPSSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214661987 1223930285 /nfs/dbraw/zinc/93/02/85/1223930285.db2.gz OCUHOASUDLSHID-MUIFIZLQSA-N 2 1 362.474 0.673 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001214665844 1223930708 /nfs/dbraw/zinc/93/07/08/1223930708.db2.gz KXOCCWSAHWJHBN-YYIAUSFCSA-N 2 1 367.538 0.861 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001214845430 1223947529 /nfs/dbraw/zinc/94/75/29/1223947529.db2.gz UGQJGLQLVDCRGV-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CCOCCO ZINC001214849671 1223947826 /nfs/dbraw/zinc/94/78/26/1223947826.db2.gz ASYZMMISTYYMSF-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214850623 1223948147 /nfs/dbraw/zinc/94/81/47/1223948147.db2.gz ZAFOOVPYQBARHR-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214855839 1223948634 /nfs/dbraw/zinc/94/86/34/1223948634.db2.gz PCLBYOSCAJCTNE-BMFZPTHFSA-N 2 1 359.474 0.723 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214860954 1223948881 /nfs/dbraw/zinc/94/88/81/1223948881.db2.gz CBUHVWRPOUSAOR-UKRRQHHQSA-N 2 1 360.462 0.336 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214860948 1223949230 /nfs/dbraw/zinc/94/92/30/1223949230.db2.gz BXNPCJKUJSRGCK-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC000978174608 1248715133 /nfs/dbraw/zinc/71/51/33/1248715133.db2.gz GHLMWGLZAPRMKI-SMLCLMEVSA-N 2 1 363.506 0.036 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC000978174608 1248715139 /nfs/dbraw/zinc/71/51/39/1248715139.db2.gz GHLMWGLZAPRMKI-SMLCLMEVSA-N 2 1 363.506 0.036 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC000978174608 1248715145 /nfs/dbraw/zinc/71/51/45/1248715145.db2.gz GHLMWGLZAPRMKI-SMLCLMEVSA-N 2 1 363.506 0.036 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C)C(=O)N(C)C ZINC001215162595 1223979434 /nfs/dbraw/zinc/97/94/34/1223979434.db2.gz ULHKPCBNPPMLBK-IJEWVQPXSA-N 2 1 361.490 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215397100 1223996344 /nfs/dbraw/zinc/99/63/44/1223996344.db2.gz SUMLYTAQPOBLMN-CBBWQLFWSA-N 2 1 363.462 0.780 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C1)CC2 ZINC001215413580 1223998311 /nfs/dbraw/zinc/99/83/11/1223998311.db2.gz IORHQDRYRRSZGU-HACGYAERSA-N 2 1 359.474 0.469 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001215463506 1224000422 /nfs/dbraw/zinc/00/04/22/1224000422.db2.gz ZYJZMSJNFZUXAN-HLLBOEOZSA-N 2 1 364.494 0.203 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001215571189 1224006411 /nfs/dbraw/zinc/00/64/11/1224006411.db2.gz DBDOJRIQLVORAC-VQIMIIECSA-N 2 1 370.501 0.926 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001215934273 1224025402 /nfs/dbraw/zinc/02/54/02/1224025402.db2.gz LTDQRUAVNJXQGS-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001216382823 1224047494 /nfs/dbraw/zinc/04/74/94/1224047494.db2.gz DJHDUNPQWMASEE-HLLBOEOZSA-N 2 1 362.474 0.674 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C)C1CC1 ZINC001216801342 1224073622 /nfs/dbraw/zinc/07/36/22/1224073622.db2.gz LPMLVOCUWFJPBH-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C)C1CC1 ZINC001216801342 1224073624 /nfs/dbraw/zinc/07/36/24/1224073624.db2.gz LPMLVOCUWFJPBH-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)C2)C1 ZINC001216801812 1224073804 /nfs/dbraw/zinc/07/38/04/1224073804.db2.gz VTCXCUJIKXXQLZ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)C2)C1 ZINC001216801812 1224073807 /nfs/dbraw/zinc/07/38/07/1224073807.db2.gz VTCXCUJIKXXQLZ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835772 1224077095 /nfs/dbraw/zinc/07/70/95/1224077095.db2.gz GHDADHXWOJTYIW-HZPDHXFCSA-N 2 1 363.510 0.896 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216851945 1224078896 /nfs/dbraw/zinc/07/88/96/1224078896.db2.gz LSERFYPKDIQZOI-RBSFLKMASA-N 2 1 362.478 0.580 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216854078 1224079360 /nfs/dbraw/zinc/07/93/60/1224079360.db2.gz SEKOKVAZIAVJMJ-RBSFLKMASA-N 2 1 369.510 0.386 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001216988008 1224083460 /nfs/dbraw/zinc/08/34/60/1224083460.db2.gz OLXZRYFQKBJJTK-CRAIPNDOSA-N 2 1 356.474 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001216988008 1224083466 /nfs/dbraw/zinc/08/34/66/1224083466.db2.gz OLXZRYFQKBJJTK-CRAIPNDOSA-N 2 1 356.474 0.884 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)CC[N@@H+]1C ZINC000988077528 1249326681 /nfs/dbraw/zinc/32/66/81/1249326681.db2.gz UGDFMKYIYJLODQ-BFYDXBDKSA-N 2 1 361.490 0.989 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)CC[N@H+]1C ZINC000988077528 1249326689 /nfs/dbraw/zinc/32/66/89/1249326689.db2.gz UGDFMKYIYJLODQ-BFYDXBDKSA-N 2 1 361.490 0.989 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000993832895 1250001697 /nfs/dbraw/zinc/00/16/97/1250001697.db2.gz FDFYGQATTBVJOB-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993832895 1250001712 /nfs/dbraw/zinc/00/17/12/1250001712.db2.gz FDFYGQATTBVJOB-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994033457 1250158520 /nfs/dbraw/zinc/15/85/20/1250158520.db2.gz PXHPWASDRCLNLE-BPQIPLTHSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994034490 1250159438 /nfs/dbraw/zinc/15/94/38/1250159438.db2.gz VFAIDAPVEUSKPH-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848614827 1245375693 /nfs/dbraw/zinc/37/56/93/1245375693.db2.gz YGWNHYIWPILXFR-QZTJIDSGSA-N 2 1 358.486 0.937 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1C(=O)c2ccccc2C1=O ZINC000849066141 1245391776 /nfs/dbraw/zinc/39/17/76/1245391776.db2.gz AXTCYKQGOIWSSV-UHFFFAOYSA-N 2 1 359.430 0.119 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1OC ZINC000849106472 1245392575 /nfs/dbraw/zinc/39/25/75/1245392575.db2.gz QUOPYFAMQSOAHU-MRXNPFEDSA-N 2 1 361.490 0.952 20 0 FCADMP CCN(C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000891570012 1245455283 /nfs/dbraw/zinc/45/52/83/1245455283.db2.gz VVDZTUCLGBYNJO-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000911481059 1245498788 /nfs/dbraw/zinc/49/87/88/1245498788.db2.gz RHKPHZADITURPR-MRXNPFEDSA-N 2 1 359.474 0.909 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517284 1245505133 /nfs/dbraw/zinc/50/51/33/1245505133.db2.gz RERFJPDKIGDZEA-ZTFGCOKTSA-N 2 1 358.486 0.918 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911518393 1245506370 /nfs/dbraw/zinc/50/63/70/1245506370.db2.gz VDLDDECUQVOOLI-QZTJIDSGSA-N 2 1 374.485 0.033 20 0 FCADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280668 1245705607 /nfs/dbraw/zinc/70/56/07/1245705607.db2.gz CEDTVCWKJCSNCP-ZWKOTPCHSA-N 2 1 361.486 0.879 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923379118 1245713087 /nfs/dbraw/zinc/71/30/87/1245713087.db2.gz XTEMDINHGKHLNC-UHOSZYNNSA-N 2 1 374.485 0.646 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923379422 1245713539 /nfs/dbraw/zinc/71/35/39/1245713539.db2.gz JVKYNGJXUYBZGR-GUDVDZBRSA-N 2 1 358.486 0.810 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400077 1245714803 /nfs/dbraw/zinc/71/48/03/1245714803.db2.gz WKHIJNTYKAUGGF-HOTGVXAUSA-N 3 1 360.506 0.377 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000938499551 1245869531 /nfs/dbraw/zinc/86/95/31/1245869531.db2.gz LLJNFEGQAYOYCS-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000938499551 1245869539 /nfs/dbraw/zinc/86/95/39/1245869539.db2.gz LLJNFEGQAYOYCS-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000938499551 1245869547 /nfs/dbraw/zinc/86/95/47/1245869547.db2.gz LLJNFEGQAYOYCS-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000938499551 1245869553 /nfs/dbraw/zinc/86/95/53/1245869553.db2.gz LLJNFEGQAYOYCS-BQJWPVKWSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000941276445 1246540225 /nfs/dbraw/zinc/54/02/25/1246540225.db2.gz UMCATFKWMXJMDC-FRFSOERESA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000941276445 1246540232 /nfs/dbraw/zinc/54/02/32/1246540232.db2.gz UMCATFKWMXJMDC-FRFSOERESA-N 2 1 371.441 0.384 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000941488923 1246649587 /nfs/dbraw/zinc/64/95/87/1246649587.db2.gz MMIZGJHGHXCDPH-GVDBMIGSSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000941488923 1246649593 /nfs/dbraw/zinc/64/95/93/1246649593.db2.gz MMIZGJHGHXCDPH-GVDBMIGSSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000941488923 1246649601 /nfs/dbraw/zinc/64/96/01/1246649601.db2.gz MMIZGJHGHXCDPH-GVDBMIGSSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000941488923 1246649606 /nfs/dbraw/zinc/64/96/06/1246649606.db2.gz MMIZGJHGHXCDPH-GVDBMIGSSA-N 2 1 366.506 0.251 20 0 FCADMP O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)C12CCC[NH+]1CCC2 ZINC000941644875 1246745435 /nfs/dbraw/zinc/74/54/35/1246745435.db2.gz BQQAJEWTWBEKDJ-RBSFLKMASA-N 2 1 357.458 0.859 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941785317 1246826011 /nfs/dbraw/zinc/82/60/11/1246826011.db2.gz DJNPRKDQSWIUGA-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941871457 1246880190 /nfs/dbraw/zinc/88/01/90/1246880190.db2.gz LXMZNRURKQRBDK-HUUCEWRRSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943282566 1247282851 /nfs/dbraw/zinc/28/28/51/1247282851.db2.gz OTXQAYRKSSDEIC-INMHGKMJSA-N 2 1 365.478 0.120 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000943654952 1247377103 /nfs/dbraw/zinc/37/71/03/1247377103.db2.gz MWYFNHKDJOVCEN-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000943654952 1247377111 /nfs/dbraw/zinc/37/71/11/1247377111.db2.gz MWYFNHKDJOVCEN-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000943654952 1247377120 /nfs/dbraw/zinc/37/71/20/1247377120.db2.gz MWYFNHKDJOVCEN-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000943654952 1247377131 /nfs/dbraw/zinc/37/71/31/1247377131.db2.gz MWYFNHKDJOVCEN-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)CC[N@H+]1C ZINC000944616439 1247580842 /nfs/dbraw/zinc/58/08/42/1247580842.db2.gz ODLXXLUQJXGVDM-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)CC2)CC[N@H+]1C ZINC000944948137 1247688416 /nfs/dbraw/zinc/68/84/16/1247688416.db2.gz SOMXEFPEDUAPPQ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)CC2)CC[NH+]1C ZINC000944948137 1247688422 /nfs/dbraw/zinc/68/84/22/1247688422.db2.gz SOMXEFPEDUAPPQ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[N@H+]4C)C3)CC2)CC[NH+]1C ZINC000944948137 1247688428 /nfs/dbraw/zinc/68/84/28/1247688428.db2.gz SOMXEFPEDUAPPQ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946770228 1248001715 /nfs/dbraw/zinc/00/17/15/1248001715.db2.gz KSEVIXLKEUWJCI-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@H+]1C ZINC000946907830 1248069586 /nfs/dbraw/zinc/06/95/86/1248069586.db2.gz PEVXULFMRULULZ-OLMNPRSZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC000976602260 1248281856 /nfs/dbraw/zinc/28/18/56/1248281856.db2.gz PRJODLPJFLWJQG-YKPDLDGBSA-N 2 1 362.518 0.632 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976656625 1248327637 /nfs/dbraw/zinc/32/76/37/1248327637.db2.gz CNEIPWQYIPWXDA-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656625 1248327642 /nfs/dbraw/zinc/32/76/42/1248327642.db2.gz CNEIPWQYIPWXDA-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656625 1248327650 /nfs/dbraw/zinc/32/76/50/1248327650.db2.gz CNEIPWQYIPWXDA-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC000977197475 1248566871 /nfs/dbraw/zinc/56/68/71/1248566871.db2.gz SNICIBHLEGKKMT-ACZMQLADSA-N 2 1 371.485 0.581 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995830964 1250997772 /nfs/dbraw/zinc/99/77/72/1250997772.db2.gz JIORNVTXTBPEKZ-KFWWJZLASA-N 2 1 363.510 0.750 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995830964 1250997777 /nfs/dbraw/zinc/99/77/77/1250997777.db2.gz JIORNVTXTBPEKZ-KFWWJZLASA-N 2 1 363.510 0.750 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961141 1251096344 /nfs/dbraw/zinc/09/63/44/1251096344.db2.gz VSUYNHBIELPHBX-BMFZPTHFSA-N 2 1 364.494 0.344 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961141 1251096349 /nfs/dbraw/zinc/09/63/49/1251096349.db2.gz VSUYNHBIELPHBX-BMFZPTHFSA-N 2 1 364.494 0.344 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC000996572226 1251390514 /nfs/dbraw/zinc/39/05/14/1251390514.db2.gz LFVAVPLDKJHFBL-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC000996572226 1251390522 /nfs/dbraw/zinc/39/05/22/1251390522.db2.gz LFVAVPLDKJHFBL-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997869757 1251730139 /nfs/dbraw/zinc/73/01/39/1251730139.db2.gz AFSYYBHHWKPLJD-RANZSIQMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@H+]1C ZINC001002245691 1252487497 /nfs/dbraw/zinc/48/74/97/1252487497.db2.gz HZXMQKLXNGKIPY-CXAGYDPISA-N 2 1 355.442 0.863 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC001002529616 1252590977 /nfs/dbraw/zinc/59/09/77/1252590977.db2.gz RXXQVPKCCJSUGM-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)O1 ZINC001002529616 1252590983 /nfs/dbraw/zinc/59/09/83/1252590983.db2.gz RXXQVPKCCJSUGM-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC001002836103 1252697669 /nfs/dbraw/zinc/69/76/69/1252697669.db2.gz SWSPUDCJZHKISZ-OAGGEKHMSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001002859788 1252712695 /nfs/dbraw/zinc/71/26/95/1252712695.db2.gz GEOGPGLLUPVXSG-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@H+]1C ZINC001002859788 1252712700 /nfs/dbraw/zinc/71/27/00/1252712700.db2.gz GEOGPGLLUPVXSG-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC[N@H+]1C ZINC001004400261 1253313502 /nfs/dbraw/zinc/31/35/02/1253313502.db2.gz RQCLOIPQZAAQNQ-HHARLNAUSA-N 2 1 360.502 0.671 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022173974 1253798791 /nfs/dbraw/zinc/79/87/91/1253798791.db2.gz VHTWYYIMUYYBIK-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022173974 1253798803 /nfs/dbraw/zinc/79/88/03/1253798803.db2.gz VHTWYYIMUYYBIK-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022173975 1253798868 /nfs/dbraw/zinc/79/88/68/1253798868.db2.gz VHTWYYIMUYYBIK-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022173975 1253798878 /nfs/dbraw/zinc/79/88/78/1253798878.db2.gz VHTWYYIMUYYBIK-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001022175169 1253801911 /nfs/dbraw/zinc/80/19/11/1253801911.db2.gz RDWPGZTWOHJCJA-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001022175169 1253801924 /nfs/dbraw/zinc/80/19/24/1253801924.db2.gz RDWPGZTWOHJCJA-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022175067 1253802006 /nfs/dbraw/zinc/80/20/06/1253802006.db2.gz NXFRZIWUUPXHTP-RCCFBDPRSA-N 2 1 371.485 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001026496154 1253846829 /nfs/dbraw/zinc/84/68/29/1253846829.db2.gz NZGQUDYYZKAFTQ-RDHHWEPZSA-N 2 1 366.506 0.202 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001026916733 1253848293 /nfs/dbraw/zinc/84/82/93/1253848293.db2.gz NELRNEYOASAOIZ-RBSFLKMASA-N 2 1 364.494 0.035 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001026916733 1253848300 /nfs/dbraw/zinc/84/83/00/1253848300.db2.gz NELRNEYOASAOIZ-RBSFLKMASA-N 2 1 364.494 0.035 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001026917323 1253849586 /nfs/dbraw/zinc/84/95/86/1253849586.db2.gz ZSBMJPMTBDFTSA-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001026917323 1253849596 /nfs/dbraw/zinc/84/95/96/1253849596.db2.gz ZSBMJPMTBDFTSA-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CCc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1C ZINC001029741244 1253868520 /nfs/dbraw/zinc/86/85/20/1253868520.db2.gz MXYJQRFCXJKSKO-OWCLPIDISA-N 2 1 362.522 0.998 20 0 FCADMP CCc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1C ZINC001029741244 1253868534 /nfs/dbraw/zinc/86/85/34/1253868534.db2.gz MXYJQRFCXJKSKO-OWCLPIDISA-N 2 1 362.522 0.998 20 0 FCADMP CCc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1C ZINC001029741244 1253868542 /nfs/dbraw/zinc/86/85/42/1253868542.db2.gz MXYJQRFCXJKSKO-OWCLPIDISA-N 2 1 362.522 0.998 20 0 FCADMP CCc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1C ZINC001029741244 1253868547 /nfs/dbraw/zinc/86/85/47/1253868547.db2.gz MXYJQRFCXJKSKO-OWCLPIDISA-N 2 1 362.522 0.998 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842712 1265783181 /nfs/dbraw/zinc/78/31/81/1265783181.db2.gz ZESDSLCMKSESGG-HNAYVOBHSA-N 2 1 358.486 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001034649689 1253997636 /nfs/dbraw/zinc/99/76/36/1253997636.db2.gz PHUIAPUQIYWBNN-UVPYHEFZSA-N 2 1 364.490 0.539 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647647 1253998213 /nfs/dbraw/zinc/99/82/13/1253998213.db2.gz OKCNSAPBAAWGJA-KLHDSHLOSA-N 2 1 363.510 0.940 20 0 FCADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034674545 1254001566 /nfs/dbraw/zinc/00/15/66/1254001566.db2.gz JIXJYCXIZIENFM-KLHDSHLOSA-N 2 1 364.494 0.534 20 0 FCADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034674545 1254001572 /nfs/dbraw/zinc/00/15/72/1254001572.db2.gz JIXJYCXIZIENFM-KLHDSHLOSA-N 2 1 364.494 0.534 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001329678462 1265810593 /nfs/dbraw/zinc/81/05/93/1265810593.db2.gz GYTJSRMIYHKBHQ-BSWAZPDLSA-N 2 1 366.506 0.317 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001061621414 1254194395 /nfs/dbraw/zinc/19/43/95/1254194395.db2.gz VJFFWVHEIICRRO-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC2)CC[N@H+]1C ZINC001063152964 1254306582 /nfs/dbraw/zinc/30/65/82/1254306582.db2.gz RFOMHTZZGQKLMJ-OIISXLGYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001065205300 1254487082 /nfs/dbraw/zinc/48/70/82/1254487082.db2.gz BSHRGFHJQQWIKV-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066193522 1254601453 /nfs/dbraw/zinc/60/14/53/1254601453.db2.gz GNVYWBCQKNTDSE-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066193522 1254601466 /nfs/dbraw/zinc/60/14/66/1254601466.db2.gz GNVYWBCQKNTDSE-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001520257757 1265891182 /nfs/dbraw/zinc/89/11/82/1265891182.db2.gz AAXCRMIPABIUJE-ZBFHGGJFSA-N 2 1 363.510 0.906 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077585087 1254740132 /nfs/dbraw/zinc/74/01/32/1254740132.db2.gz QSBCDAHPMCNVGZ-KBAYOESNSA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077585087 1254740143 /nfs/dbraw/zinc/74/01/43/1254740143.db2.gz QSBCDAHPMCNVGZ-KBAYOESNSA-N 2 1 362.474 0.342 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001077618401 1254786263 /nfs/dbraw/zinc/78/62/63/1254786263.db2.gz HKYFUQNMLLXFRQ-KZNAEPCWSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001077618401 1254786270 /nfs/dbraw/zinc/78/62/70/1254786270.db2.gz HKYFUQNMLLXFRQ-KZNAEPCWSA-N 2 1 365.449 0.362 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077778444 1254981596 /nfs/dbraw/zinc/98/15/96/1254981596.db2.gz JZIPTJFWXWBFSV-QZTJIDSGSA-N 2 1 363.506 0.339 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838577 1255039303 /nfs/dbraw/zinc/03/93/03/1255039303.db2.gz CMRYCZMKWUVRSR-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906662 1255088298 /nfs/dbraw/zinc/08/82/98/1255088298.db2.gz MCASBWQDLLMDHQ-ZTFGCOKTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906662 1255088306 /nfs/dbraw/zinc/08/83/06/1255088306.db2.gz MCASBWQDLLMDHQ-ZTFGCOKTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011797 1255167481 /nfs/dbraw/zinc/16/74/81/1255167481.db2.gz IGMXXHQGSLCUQB-RTBURBONSA-N 2 1 371.481 0.516 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174207 1255287820 /nfs/dbraw/zinc/28/78/20/1255287820.db2.gz DSOFUXMKCFZHCE-RCCFBDPRSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174207 1255287825 /nfs/dbraw/zinc/28/78/25/1255287825.db2.gz DSOFUXMKCFZHCE-RCCFBDPRSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174207 1255287830 /nfs/dbraw/zinc/28/78/30/1255287830.db2.gz DSOFUXMKCFZHCE-RCCFBDPRSA-N 2 1 361.486 0.741 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175133 1255288559 /nfs/dbraw/zinc/28/85/59/1255288559.db2.gz XAFRYOKWJKNEMQ-CGTJXYLNSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175133 1255288567 /nfs/dbraw/zinc/28/85/67/1255288567.db2.gz XAFRYOKWJKNEMQ-CGTJXYLNSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175133 1255288570 /nfs/dbraw/zinc/28/85/70/1255288570.db2.gz XAFRYOKWJKNEMQ-CGTJXYLNSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175133 1255288578 /nfs/dbraw/zinc/28/85/78/1255288578.db2.gz XAFRYOKWJKNEMQ-CGTJXYLNSA-N 2 1 360.458 0.258 20 0 FCADMP CCc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175874 1255289463 /nfs/dbraw/zinc/28/94/63/1255289463.db2.gz PYJRVIAHNHFUJA-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175874 1255289469 /nfs/dbraw/zinc/28/94/69/1255289469.db2.gz PYJRVIAHNHFUJA-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175874 1255289473 /nfs/dbraw/zinc/28/94/73/1255289473.db2.gz PYJRVIAHNHFUJA-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175874 1255289481 /nfs/dbraw/zinc/28/94/81/1255289481.db2.gz PYJRVIAHNHFUJA-BHIYHBOVSA-N 2 1 361.486 0.741 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175838 1255289702 /nfs/dbraw/zinc/28/97/02/1255289702.db2.gz OVMNTWAILYCWQK-QXAKKESOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175838 1255289710 /nfs/dbraw/zinc/28/97/10/1255289710.db2.gz OVMNTWAILYCWQK-QXAKKESOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175838 1255289717 /nfs/dbraw/zinc/28/97/17/1255289717.db2.gz OVMNTWAILYCWQK-QXAKKESOSA-N 2 1 369.469 0.485 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078182091 1255296767 /nfs/dbraw/zinc/29/67/67/1255296767.db2.gz FIPAMOABJGNGNN-QZTJIDSGSA-N 2 1 370.453 0.530 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078182091 1255296773 /nfs/dbraw/zinc/29/67/73/1255296773.db2.gz FIPAMOABJGNGNN-QZTJIDSGSA-N 2 1 370.453 0.530 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209573 1255326341 /nfs/dbraw/zinc/32/63/41/1255326341.db2.gz JEURRPVCXSUJGG-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209573 1255326350 /nfs/dbraw/zinc/32/63/50/1255326350.db2.gz JEURRPVCXSUJGG-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209573 1255326357 /nfs/dbraw/zinc/32/63/57/1255326357.db2.gz JEURRPVCXSUJGG-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209573 1255326365 /nfs/dbraw/zinc/32/63/65/1255326365.db2.gz JEURRPVCXSUJGG-QRVBRYPASA-N 2 1 361.486 0.685 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@@H+]1C ZINC001078403866 1255406955 /nfs/dbraw/zinc/40/69/55/1255406955.db2.gz KTNXIVPQFYOEOI-HRCADAONSA-N 2 1 364.494 0.551 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@H+]1C ZINC001078403866 1255406959 /nfs/dbraw/zinc/40/69/59/1255406959.db2.gz KTNXIVPQFYOEOI-HRCADAONSA-N 2 1 364.494 0.551 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001078404294 1255408951 /nfs/dbraw/zinc/40/89/51/1255408951.db2.gz XNABCTIUJXQXFT-HRCADAONSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001078404294 1255408955 /nfs/dbraw/zinc/40/89/55/1255408955.db2.gz XNABCTIUJXQXFT-HRCADAONSA-N 2 1 364.494 0.253 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405380 1255409275 /nfs/dbraw/zinc/40/92/75/1255409275.db2.gz LXABYWJZTYPHET-ZTFGCOKTSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cccnc3)C2)O1 ZINC001078418641 1255410224 /nfs/dbraw/zinc/41/02/24/1255410224.db2.gz STDNHWHEDGFBKX-BPQIPLTHSA-N 2 1 362.474 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cccnc3)C2)O1 ZINC001078418641 1255410228 /nfs/dbraw/zinc/41/02/28/1255410228.db2.gz STDNHWHEDGFBKX-BPQIPLTHSA-N 2 1 362.474 0.508 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001078417712 1255410385 /nfs/dbraw/zinc/41/03/85/1255410385.db2.gz FWHGDVCLTINOFD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001078417712 1255410389 /nfs/dbraw/zinc/41/03/89/1255410389.db2.gz FWHGDVCLTINOFD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079162381 1255462660 /nfs/dbraw/zinc/46/26/60/1255462660.db2.gz JAZVFHKZDUYFHY-HYVNUMGLSA-N 2 1 362.449 0.537 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001079187781 1255469066 /nfs/dbraw/zinc/46/90/66/1255469066.db2.gz YJARJQAFPQNYHQ-DLBZAZTESA-N 2 1 362.449 0.679 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079240764 1255483451 /nfs/dbraw/zinc/48/34/51/1255483451.db2.gz BRWDLKDLACCUIE-RCCFBDPRSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245593 1255485991 /nfs/dbraw/zinc/48/59/91/1255485991.db2.gz BDNODXNIZWUUNC-BPQIPLTHSA-N 2 1 365.518 0.791 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079260056 1255492439 /nfs/dbraw/zinc/49/24/39/1255492439.db2.gz YUELIKDEPCJVEV-DLBZAZTESA-N 2 1 365.518 0.650 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270501 1255496561 /nfs/dbraw/zinc/49/65/61/1255496561.db2.gz VTQVUFVAYJTRBZ-FGTMMUONSA-N 2 1 365.518 0.650 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079310672 1255506309 /nfs/dbraw/zinc/50/63/09/1255506309.db2.gz CRFBXGPMLIQYCX-UKPHBRMFSA-N 2 1 362.449 0.537 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717399 1255583723 /nfs/dbraw/zinc/58/37/23/1255583723.db2.gz GWWGUYVAAFCENE-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717399 1255583730 /nfs/dbraw/zinc/58/37/30/1255583730.db2.gz GWWGUYVAAFCENE-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080021607 1255712180 /nfs/dbraw/zinc/71/21/80/1255712180.db2.gz IKWICFFWTMKHOQ-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080021607 1255712184 /nfs/dbraw/zinc/71/21/84/1255712184.db2.gz IKWICFFWTMKHOQ-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080021607 1255712191 /nfs/dbraw/zinc/71/21/91/1255712191.db2.gz IKWICFFWTMKHOQ-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080190934 1255780297 /nfs/dbraw/zinc/78/02/97/1255780297.db2.gz OEWIKOBPQJTUIT-OLMNPRSZSA-N 2 1 358.486 0.729 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080190934 1255780301 /nfs/dbraw/zinc/78/03/01/1255780301.db2.gz OEWIKOBPQJTUIT-OLMNPRSZSA-N 2 1 358.486 0.729 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317740 1255838624 /nfs/dbraw/zinc/83/86/24/1255838624.db2.gz AMUPWIDEYADGBQ-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317740 1255838636 /nfs/dbraw/zinc/83/86/36/1255838636.db2.gz AMUPWIDEYADGBQ-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317740 1255838648 /nfs/dbraw/zinc/83/86/48/1255838648.db2.gz AMUPWIDEYADGBQ-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317740 1255838663 /nfs/dbraw/zinc/83/86/63/1255838663.db2.gz AMUPWIDEYADGBQ-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383666 1255866996 /nfs/dbraw/zinc/86/69/96/1255866996.db2.gz PZLKQNSVEPKZFE-ZTFGCOKTSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383666 1255867007 /nfs/dbraw/zinc/86/70/07/1255867007.db2.gz PZLKQNSVEPKZFE-ZTFGCOKTSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080379957 1255867817 /nfs/dbraw/zinc/86/78/17/1255867817.db2.gz ACNMNVYAPSXLDU-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080379957 1255867827 /nfs/dbraw/zinc/86/78/27/1255867827.db2.gz ACNMNVYAPSXLDU-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559155 1255929113 /nfs/dbraw/zinc/92/91/13/1255929113.db2.gz XRVMPUWHNFCAAW-GDBMZVCRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789008 1256040869 /nfs/dbraw/zinc/04/08/69/1256040869.db2.gz MZVWZLFPUPEWFG-DJIMGWMZSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789008 1256040873 /nfs/dbraw/zinc/04/08/73/1256040873.db2.gz MZVWZLFPUPEWFG-DJIMGWMZSA-N 2 1 360.502 0.672 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001081179623 1256200181 /nfs/dbraw/zinc/20/01/81/1256200181.db2.gz AYZSZKSOKCUOFI-BBWFWOEESA-N 2 1 371.489 0.635 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081658996 1256323596 /nfs/dbraw/zinc/32/35/96/1256323596.db2.gz IGKKYMWYGXCKQR-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081658996 1256323599 /nfs/dbraw/zinc/32/35/99/1256323599.db2.gz IGKKYMWYGXCKQR-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081658996 1256323605 /nfs/dbraw/zinc/32/36/05/1256323605.db2.gz IGKKYMWYGXCKQR-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081658996 1256323607 /nfs/dbraw/zinc/32/36/07/1256323607.db2.gz IGKKYMWYGXCKQR-FGTMMUONSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081681746 1256333446 /nfs/dbraw/zinc/33/34/46/1256333446.db2.gz APMOMZMDCBHRKJ-TVFCKZIOSA-N 2 1 371.497 0.908 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001081932769 1256458809 /nfs/dbraw/zinc/45/88/09/1256458809.db2.gz XOGPLURWDNKPJZ-ZTFGCOKTSA-N 2 1 371.441 0.733 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001081980232 1256481138 /nfs/dbraw/zinc/48/11/38/1256481138.db2.gz NNAGQNAEZFPPAP-KZNAEPCWSA-N 2 1 361.490 0.573 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001081980232 1256481140 /nfs/dbraw/zinc/48/11/40/1256481140.db2.gz NNAGQNAEZFPPAP-KZNAEPCWSA-N 2 1 361.490 0.573 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096048 1256533201 /nfs/dbraw/zinc/53/32/01/1256533201.db2.gz WCAJQNVCZXNGIV-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001082278936 1256628404 /nfs/dbraw/zinc/62/84/04/1256628404.db2.gz GIMZVKMZWTUDCQ-BMGDILEWSA-N 2 1 371.441 0.733 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001082278936 1256628410 /nfs/dbraw/zinc/62/84/10/1256628410.db2.gz GIMZVKMZWTUDCQ-BMGDILEWSA-N 2 1 371.441 0.733 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326828 1256669013 /nfs/dbraw/zinc/66/90/13/1256669013.db2.gz RONOUARLCIYRQL-ARFHVFGLSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326828 1256669017 /nfs/dbraw/zinc/66/90/17/1256669017.db2.gz RONOUARLCIYRQL-ARFHVFGLSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326828 1256669021 /nfs/dbraw/zinc/66/90/21/1256669021.db2.gz RONOUARLCIYRQL-ARFHVFGLSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328606 1256670727 /nfs/dbraw/zinc/67/07/27/1256670727.db2.gz BQURODAOGXVSHE-IAGOWNOFSA-N 2 1 361.490 0.411 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001082515574 1256800505 /nfs/dbraw/zinc/80/05/05/1256800505.db2.gz RIBHPBJQABFQIG-UHOFOFEASA-N 2 1 358.490 0.960 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515677 1256801555 /nfs/dbraw/zinc/80/15/55/1256801555.db2.gz UTKBRIFYGIWTSJ-FVQBIDKESA-N 2 1 361.494 0.361 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082520590 1256806306 /nfs/dbraw/zinc/80/63/06/1256806306.db2.gz GRJRSRGUZFWTBF-RRCSTGOVSA-N 2 1 360.506 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082520590 1256806313 /nfs/dbraw/zinc/80/63/13/1256806313.db2.gz GRJRSRGUZFWTBF-RRCSTGOVSA-N 2 1 360.506 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082557409 1256854844 /nfs/dbraw/zinc/85/48/44/1256854844.db2.gz BWNKCIKFFSSCGE-ZIAGYGMSSA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082557438 1256855191 /nfs/dbraw/zinc/85/51/91/1256855191.db2.gz DYQACFJMMNNIPM-UMVBOHGHSA-N 2 1 361.494 0.990 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082558972 1256857760 /nfs/dbraw/zinc/85/77/60/1256857760.db2.gz NWUVGHJFYHZMAJ-RBSFLKMASA-N 2 1 360.462 0.222 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082558451 1256858782 /nfs/dbraw/zinc/85/87/82/1256858782.db2.gz RAVXGPMKUQUXNR-OIISXLGYSA-N 2 1 359.478 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082570888 1256877969 /nfs/dbraw/zinc/87/79/69/1256877969.db2.gz DZBJWBVHTRNSCL-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082570616 1256878119 /nfs/dbraw/zinc/87/81/19/1256878119.db2.gz SQDNQESKBKIRRI-IIAWOOMASA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082570616 1256878138 /nfs/dbraw/zinc/87/81/38/1256878138.db2.gz SQDNQESKBKIRRI-IIAWOOMASA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082570887 1256878173 /nfs/dbraw/zinc/87/81/73/1256878173.db2.gz DZBJWBVHTRNSCL-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590433 1256904401 /nfs/dbraw/zinc/90/44/01/1256904401.db2.gz WGDSGRBCMMEQJG-RRCSTGOVSA-N 2 1 363.462 0.141 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590433 1256904407 /nfs/dbraw/zinc/90/44/07/1256904407.db2.gz WGDSGRBCMMEQJG-RRCSTGOVSA-N 2 1 363.462 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082595979 1256908215 /nfs/dbraw/zinc/90/82/15/1256908215.db2.gz OXBREAQGLPULGR-KFWWJZLASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082595979 1256908220 /nfs/dbraw/zinc/90/82/20/1256908220.db2.gz OXBREAQGLPULGR-KFWWJZLASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082595752 1256908605 /nfs/dbraw/zinc/90/86/05/1256908605.db2.gz BRCLKKPELLOBQS-KFWWJZLASA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082595752 1256908614 /nfs/dbraw/zinc/90/86/14/1256908614.db2.gz BRCLKKPELLOBQS-KFWWJZLASA-N 2 1 362.478 0.229 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653263 1256957192 /nfs/dbraw/zinc/95/71/92/1256957192.db2.gz CNDDJEUJGDYKRV-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)co1 ZINC001082653334 1256957226 /nfs/dbraw/zinc/95/72/26/1256957226.db2.gz GCRKDPSWHDVZSP-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)co1 ZINC001082653334 1256957229 /nfs/dbraw/zinc/95/72/29/1256957229.db2.gz GCRKDPSWHDVZSP-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082653591 1256958160 /nfs/dbraw/zinc/95/81/60/1256958160.db2.gz SHKPSCBXSFXAQE-YUKWLFIZSA-N 2 1 357.458 0.276 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082653591 1256958167 /nfs/dbraw/zinc/95/81/67/1256958167.db2.gz SHKPSCBXSFXAQE-YUKWLFIZSA-N 2 1 357.458 0.276 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703449 1256993986 /nfs/dbraw/zinc/99/39/86/1256993986.db2.gz UVEWZZOMIJZZJY-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703449 1256993989 /nfs/dbraw/zinc/99/39/89/1256993989.db2.gz UVEWZZOMIJZZJY-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)ncn1 ZINC001082703228 1256994821 /nfs/dbraw/zinc/99/48/21/1256994821.db2.gz FJTQYKWFCJXVEF-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)ncn1 ZINC001082703228 1256994829 /nfs/dbraw/zinc/99/48/29/1256994829.db2.gz FJTQYKWFCJXVEF-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082742917 1257023710 /nfs/dbraw/zinc/02/37/10/1257023710.db2.gz WOKUPFPSOXIQFT-SIIHOXLZSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082742917 1257023719 /nfs/dbraw/zinc/02/37/19/1257023719.db2.gz WOKUPFPSOXIQFT-SIIHOXLZSA-N 2 1 366.485 0.964 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082783439 1257048068 /nfs/dbraw/zinc/04/80/68/1257048068.db2.gz YOELLKXUDLFEKG-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)co1 ZINC001082798315 1257056975 /nfs/dbraw/zinc/05/69/75/1257056975.db2.gz NBVHOZKECGRWLG-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1=O ZINC001082807526 1257065058 /nfs/dbraw/zinc/06/50/58/1257065058.db2.gz NEMLOPSZVHXWMD-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082851986 1257104433 /nfs/dbraw/zinc/10/44/33/1257104433.db2.gz NHJITWORFZWMKF-RHSMWYFYSA-N 2 1 360.506 0.874 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082943690 1257160839 /nfs/dbraw/zinc/16/08/39/1257160839.db2.gz XHJLZSMAIHYDFW-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)N(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001330776727 1266096637 /nfs/dbraw/zinc/09/66/37/1266096637.db2.gz GSPGLVNQJZWPJL-UHFFFAOYSA-N 2 1 372.469 0.764 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085108 1257286934 /nfs/dbraw/zinc/28/69/34/1257286934.db2.gz ZYBKZDHPZBJDNI-BHYGNILZSA-N 2 1 365.478 0.005 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085093 1257287148 /nfs/dbraw/zinc/28/71/48/1257287148.db2.gz ZMMBWZOSNNZERZ-BHYGNILZSA-N 2 1 367.469 0.718 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083144702 1257398976 /nfs/dbraw/zinc/39/89/76/1257398976.db2.gz UWXZWGNTPMRLPG-ZWKOTPCHSA-N 2 1 366.425 0.756 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083144702 1257398983 /nfs/dbraw/zinc/39/89/83/1257398983.db2.gz UWXZWGNTPMRLPG-ZWKOTPCHSA-N 2 1 366.425 0.756 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083144414 1257400153 /nfs/dbraw/zinc/40/01/53/1257400153.db2.gz GDFRMTYRUSVOOC-IXDOHACOSA-N 2 1 369.425 0.138 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083144414 1257400156 /nfs/dbraw/zinc/40/01/56/1257400156.db2.gz GDFRMTYRUSVOOC-IXDOHACOSA-N 2 1 369.425 0.138 20 0 FCADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470234 1257461490 /nfs/dbraw/zinc/46/14/90/1257461490.db2.gz GRWPOYNTESEWPI-IPELMVKDSA-N 2 1 371.485 0.981 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cc1=O ZINC001083645222 1257464047 /nfs/dbraw/zinc/46/40/47/1257464047.db2.gz QIIOLSFSGQRCMM-SJORKVTESA-N 2 1 367.409 0.008 20 0 FCADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cc1=O ZINC001083645222 1257464054 /nfs/dbraw/zinc/46/40/54/1257464054.db2.gz QIIOLSFSGQRCMM-SJORKVTESA-N 2 1 367.409 0.008 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083734099 1257471530 /nfs/dbraw/zinc/47/15/30/1257471530.db2.gz QSBCDAHPMCNVGZ-JQHSSLGASA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083734099 1257471533 /nfs/dbraw/zinc/47/15/33/1257471533.db2.gz QSBCDAHPMCNVGZ-JQHSSLGASA-N 2 1 362.474 0.342 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001521424494 1266121228 /nfs/dbraw/zinc/12/12/28/1266121228.db2.gz GLFAYCOZMJPMHN-IIAWOOMASA-N 2 1 356.511 0.480 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083780995 1257524230 /nfs/dbraw/zinc/52/42/30/1257524230.db2.gz QVQUUBGWGWXZES-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083780995 1257524236 /nfs/dbraw/zinc/52/42/36/1257524236.db2.gz QVQUUBGWGWXZES-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083780995 1257524238 /nfs/dbraw/zinc/52/42/38/1257524238.db2.gz QVQUUBGWGWXZES-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)c1 ZINC001083780995 1257524242 /nfs/dbraw/zinc/52/42/42/1257524242.db2.gz QVQUUBGWGWXZES-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)CN1CC[NH+](C)CC1 ZINC001521503675 1266128799 /nfs/dbraw/zinc/12/87/99/1266128799.db2.gz JZIQDDPAQKNQHL-TVFCKZIOSA-N 2 1 352.523 0.533 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958451 1257748284 /nfs/dbraw/zinc/74/82/84/1257748284.db2.gz HESYRBVICFYMIG-MSOLQXFVSA-N 2 1 357.454 0.474 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958451 1257748288 /nfs/dbraw/zinc/74/82/88/1257748288.db2.gz HESYRBVICFYMIG-MSOLQXFVSA-N 2 1 357.454 0.474 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001521557237 1266139604 /nfs/dbraw/zinc/13/96/04/1266139604.db2.gz ZKPQAALTQDQLGU-RISCZKNCSA-N 2 1 372.263 0.952 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001084088064 1257911641 /nfs/dbraw/zinc/91/16/41/1257911641.db2.gz OIZMHDZGNIHSNH-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001084088064 1257911644 /nfs/dbraw/zinc/91/16/44/1257911644.db2.gz OIZMHDZGNIHSNH-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001084407230 1258085355 /nfs/dbraw/zinc/08/53/55/1258085355.db2.gz MKEBCSLYODFPRK-RKVPGOIHSA-N 2 1 362.474 0.008 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001084407230 1258085362 /nfs/dbraw/zinc/08/53/62/1258085362.db2.gz MKEBCSLYODFPRK-RKVPGOIHSA-N 2 1 362.474 0.008 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084427405 1258106043 /nfs/dbraw/zinc/10/60/43/1258106043.db2.gz GTMHSUDRAGHSBH-RKVPGOIHSA-N 2 1 364.490 0.254 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084427405 1258106046 /nfs/dbraw/zinc/10/60/46/1258106046.db2.gz GTMHSUDRAGHSBH-RKVPGOIHSA-N 2 1 364.490 0.254 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442850 1258115820 /nfs/dbraw/zinc/11/58/20/1258115820.db2.gz SVTCQEXDDNAPTE-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442850 1258115826 /nfs/dbraw/zinc/11/58/26/1258115826.db2.gz SVTCQEXDDNAPTE-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001331166813 1266161374 /nfs/dbraw/zinc/16/13/74/1266161374.db2.gz MKSCYNGYYDQSTL-KSZLIROESA-N 2 1 374.485 0.247 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001084609004 1258195838 /nfs/dbraw/zinc/19/58/38/1258195838.db2.gz RNIHRKJVOIHDIB-MWDXBVQZSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001084609004 1258195841 /nfs/dbraw/zinc/19/58/41/1258195841.db2.gz RNIHRKJVOIHDIB-MWDXBVQZSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001084609004 1258195843 /nfs/dbraw/zinc/19/58/43/1258195843.db2.gz RNIHRKJVOIHDIB-MWDXBVQZSA-N 2 1 363.506 0.275 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331197337 1266168543 /nfs/dbraw/zinc/16/85/43/1266168543.db2.gz QDUPZEAEDPBBKY-OKZBNKHCSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197303 1266168583 /nfs/dbraw/zinc/16/85/83/1266168583.db2.gz PLRQVAVGFJXYJO-JOCBIADPSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197303 1266168587 /nfs/dbraw/zinc/16/85/87/1266168587.db2.gz PLRQVAVGFJXYJO-JOCBIADPSA-N 2 1 358.486 0.961 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084751806 1258289397 /nfs/dbraw/zinc/28/93/97/1258289397.db2.gz DUHZQBMKRIKUCS-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084751806 1258289399 /nfs/dbraw/zinc/28/93/99/1258289399.db2.gz DUHZQBMKRIKUCS-FGTMMUONSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001331218904 1266174522 /nfs/dbraw/zinc/17/45/22/1266174522.db2.gz BWFHGISVELPKLJ-IYARVYRRSA-N 2 1 358.486 0.883 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778223 1258320723 /nfs/dbraw/zinc/32/07/23/1258320723.db2.gz MAKNSKXJNMJTRX-IXDOHACOSA-N 2 1 360.502 0.624 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778223 1258320733 /nfs/dbraw/zinc/32/07/33/1258320733.db2.gz MAKNSKXJNMJTRX-IXDOHACOSA-N 2 1 360.502 0.624 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830032 1258375314 /nfs/dbraw/zinc/37/53/14/1258375314.db2.gz HYXMHGQOBYIXKF-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830032 1258375321 /nfs/dbraw/zinc/37/53/21/1258375321.db2.gz HYXMHGQOBYIXKF-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830032 1258375327 /nfs/dbraw/zinc/37/53/27/1258375327.db2.gz HYXMHGQOBYIXKF-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844332 1258393746 /nfs/dbraw/zinc/39/37/46/1258393746.db2.gz OVJREHVIUPOCDK-KBAYOESNSA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844332 1258393757 /nfs/dbraw/zinc/39/37/57/1258393757.db2.gz OVJREHVIUPOCDK-KBAYOESNSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844332 1258393763 /nfs/dbraw/zinc/39/37/63/1258393763.db2.gz OVJREHVIUPOCDK-KBAYOESNSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccnn4C)C[C@H]32)C1 ZINC001084844332 1258393772 /nfs/dbraw/zinc/39/37/72/1258393772.db2.gz OVJREHVIUPOCDK-KBAYOESNSA-N 2 1 361.490 0.216 20 0 FCADMP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957565 1258469620 /nfs/dbraw/zinc/46/96/20/1258469620.db2.gz GZYUDAPWBQWGHT-OIISXLGYSA-N 2 1 364.490 0.038 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957565 1258469625 /nfs/dbraw/zinc/46/96/25/1258469625.db2.gz GZYUDAPWBQWGHT-OIISXLGYSA-N 2 1 364.490 0.038 20 0 FCADMP NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957565 1258469628 /nfs/dbraw/zinc/46/96/28/1258469628.db2.gz GZYUDAPWBQWGHT-OIISXLGYSA-N 2 1 364.490 0.038 20 0 FCADMP NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957565 1258469630 /nfs/dbraw/zinc/46/96/30/1258469630.db2.gz GZYUDAPWBQWGHT-OIISXLGYSA-N 2 1 364.490 0.038 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001084977525 1258489588 /nfs/dbraw/zinc/48/95/88/1258489588.db2.gz NDFZSRMCXZTUAY-PBHICJAKSA-N 2 1 355.442 0.925 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001084977525 1258489590 /nfs/dbraw/zinc/48/95/90/1258489590.db2.gz NDFZSRMCXZTUAY-PBHICJAKSA-N 2 1 355.442 0.925 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCn4cncn4)[C@H]3C2)C1 ZINC001085033744 1258537100 /nfs/dbraw/zinc/53/71/00/1258537100.db2.gz YFIKYUJWDRIRRF-SJORKVTESA-N 2 1 360.506 0.933 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCn4cncn4)[C@H]3C2)C1 ZINC001085033744 1258537104 /nfs/dbraw/zinc/53/71/04/1258537104.db2.gz YFIKYUJWDRIRRF-SJORKVTESA-N 2 1 360.506 0.933 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)C1 ZINC001085033744 1258537109 /nfs/dbraw/zinc/53/71/09/1258537109.db2.gz YFIKYUJWDRIRRF-SJORKVTESA-N 2 1 360.506 0.933 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093599 1258588251 /nfs/dbraw/zinc/58/82/51/1258588251.db2.gz MVCXBLQVMMMYAO-ZACQAIPSSA-N 2 1 358.490 0.784 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001521859263 1266195156 /nfs/dbraw/zinc/19/51/56/1266195156.db2.gz VYVRCAHYCYGEEK-MRXNPFEDSA-N 2 1 353.511 0.762 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085159132 1258610928 /nfs/dbraw/zinc/61/09/28/1258610928.db2.gz IXGFPQLRXLYJMX-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085159132 1258610931 /nfs/dbraw/zinc/61/09/31/1258610931.db2.gz IXGFPQLRXLYJMX-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085201874 1258629840 /nfs/dbraw/zinc/62/98/40/1258629840.db2.gz DNIZYHLHWHQTLW-KLHDSHLOSA-N 2 1 363.510 0.940 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085201874 1258629849 /nfs/dbraw/zinc/62/98/49/1258629849.db2.gz DNIZYHLHWHQTLW-KLHDSHLOSA-N 2 1 363.510 0.940 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201010 1258721725 /nfs/dbraw/zinc/72/17/25/1258721725.db2.gz GSQLGLQOTTVCNI-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201010 1258721731 /nfs/dbraw/zinc/72/17/31/1258721731.db2.gz GSQLGLQOTTVCNI-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199893 1258721938 /nfs/dbraw/zinc/72/19/38/1258721938.db2.gz HEFZMDNHNVKVBY-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199893 1258721942 /nfs/dbraw/zinc/72/19/42/1258721942.db2.gz HEFZMDNHNVKVBY-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199893 1258721944 /nfs/dbraw/zinc/72/19/44/1258721944.db2.gz HEFZMDNHNVKVBY-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200030 1258722603 /nfs/dbraw/zinc/72/26/03/1258722603.db2.gz MQRPCTDOGSDINA-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200030 1258722610 /nfs/dbraw/zinc/72/26/10/1258722610.db2.gz MQRPCTDOGSDINA-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200030 1258722616 /nfs/dbraw/zinc/72/26/16/1258722616.db2.gz MQRPCTDOGSDINA-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200030 1258722622 /nfs/dbraw/zinc/72/26/22/1258722622.db2.gz MQRPCTDOGSDINA-IKGGRYGDSA-N 2 1 360.506 0.838 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201027 1258723374 /nfs/dbraw/zinc/72/33/74/1258723374.db2.gz HONNJYNIPUSMKT-MSOLQXFVSA-N 2 1 360.506 0.771 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088201173 1258723725 /nfs/dbraw/zinc/72/37/25/1258723725.db2.gz OVKRHLPNLNCCAD-IXDOHACOSA-N 2 1 358.490 0.642 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088202122 1258724959 /nfs/dbraw/zinc/72/49/59/1258724959.db2.gz LNRJQALBWDJCOY-IMJJTQAJSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088202122 1258724961 /nfs/dbraw/zinc/72/49/61/1258724961.db2.gz LNRJQALBWDJCOY-IMJJTQAJSA-N 2 1 359.474 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734871 1258824622 /nfs/dbraw/zinc/82/46/22/1258824622.db2.gz LHRXVHDALGBFPF-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734871 1258824630 /nfs/dbraw/zinc/82/46/30/1258824630.db2.gz LHRXVHDALGBFPF-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734871 1258824634 /nfs/dbraw/zinc/82/46/34/1258824634.db2.gz LHRXVHDALGBFPF-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104372161 1258917439 /nfs/dbraw/zinc/91/74/39/1258917439.db2.gz QKOFCHJNNWLQCL-KFWWJZLASA-N 2 1 368.478 0.431 20 0 FCADMP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104372162 1258917535 /nfs/dbraw/zinc/91/75/35/1258917535.db2.gz QKOFCHJNNWLQCL-RBSFLKMASA-N 2 1 368.478 0.431 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106766081 1258958823 /nfs/dbraw/zinc/95/88/23/1258958823.db2.gz ANKPLBARMNKDIV-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106775440 1258960897 /nfs/dbraw/zinc/96/08/97/1258960897.db2.gz FRUQVTOLNNXRIQ-HUUCEWRRSA-N 2 1 369.510 0.378 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001106874283 1258985047 /nfs/dbraw/zinc/98/50/47/1258985047.db2.gz AYWITTXUALALBG-FHLIZLRMSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)on1 ZINC001106983108 1259010941 /nfs/dbraw/zinc/01/09/41/1259010941.db2.gz UOIVLVXPYVUESI-BPLDGKMQSA-N 2 1 363.462 0.557 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001107012464 1259017369 /nfs/dbraw/zinc/01/73/69/1259017369.db2.gz USOMXZJYPPHNQI-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001107012464 1259017377 /nfs/dbraw/zinc/01/73/77/1259017377.db2.gz USOMXZJYPPHNQI-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001107037242 1259022743 /nfs/dbraw/zinc/02/27/43/1259022743.db2.gz YNIOBWBEWULVBF-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074521 1259028945 /nfs/dbraw/zinc/02/89/45/1259028945.db2.gz BFWZBJBWAXXXFO-BHIYHBOVSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074521 1259028951 /nfs/dbraw/zinc/02/89/51/1259028951.db2.gz BFWZBJBWAXXXFO-BHIYHBOVSA-N 2 1 363.502 0.810 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409501 1259079728 /nfs/dbraw/zinc/07/97/28/1259079728.db2.gz VMLPMDIHSLIVPD-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107547000 1259112635 /nfs/dbraw/zinc/11/26/35/1259112635.db2.gz XIZZIVLEHXGTFH-HBUWYVDXSA-N 2 1 365.478 0.026 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107547000 1259112641 /nfs/dbraw/zinc/11/26/41/1259112641.db2.gz XIZZIVLEHXGTFH-HBUWYVDXSA-N 2 1 365.478 0.026 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107547000 1259112644 /nfs/dbraw/zinc/11/26/44/1259112644.db2.gz XIZZIVLEHXGTFH-HBUWYVDXSA-N 2 1 365.478 0.026 20 0 FCADMP C[C@H](COCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)[NH+]1CCCC1 ZINC001107552061 1259114130 /nfs/dbraw/zinc/11/41/30/1259114130.db2.gz BYNURCQVWGQKDQ-GPMSIDNRSA-N 2 1 366.506 0.333 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608167 1259132635 /nfs/dbraw/zinc/13/26/35/1259132635.db2.gz CXKDNEYEALGSAD-VQIMIIECSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107609607 1259134081 /nfs/dbraw/zinc/13/40/81/1259134081.db2.gz YNVCMLWVSVISOE-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107609607 1259134084 /nfs/dbraw/zinc/13/40/84/1259134084.db2.gz YNVCMLWVSVISOE-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107609607 1259134089 /nfs/dbraw/zinc/13/40/89/1259134089.db2.gz YNVCMLWVSVISOE-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406163 1259158913 /nfs/dbraw/zinc/15/89/13/1259158913.db2.gz PYYCGKRLPRWMDL-QZWWFDLISA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406163 1259158917 /nfs/dbraw/zinc/15/89/17/1259158917.db2.gz PYYCGKRLPRWMDL-QZWWFDLISA-N 2 1 365.522 0.756 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1nncn1C ZINC001127571232 1259181482 /nfs/dbraw/zinc/18/14/82/1259181482.db2.gz ODDDNFFYVWGKKA-IMJJTQAJSA-N 2 1 364.494 0.329 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2ccccc2F)CC[N@H+]1C ZINC001127705417 1259184597 /nfs/dbraw/zinc/18/45/97/1259184597.db2.gz CXTFMDZAKYVOHC-DOTOQJQBSA-N 2 1 364.465 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC[N@H+]1C ZINC001127695080 1259185331 /nfs/dbraw/zinc/18/53/31/1259185331.db2.gz AZZBKTRJHKQOCZ-LSDHHAIUSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCCF)n3CC2)CC[N@H+]1C ZINC001127990626 1259188755 /nfs/dbraw/zinc/18/87/55/1259188755.db2.gz GNGLPDRGGHMKRJ-QLFBSQMISA-N 2 1 366.485 0.889 20 0 FCADMP CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001128012802 1259192224 /nfs/dbraw/zinc/19/22/24/1259192224.db2.gz RBRDAOAOFZGZHM-RBSFLKMASA-N 2 1 364.494 0.318 20 0 FCADMP CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001128012802 1259192227 /nfs/dbraw/zinc/19/22/27/1259192227.db2.gz RBRDAOAOFZGZHM-RBSFLKMASA-N 2 1 364.494 0.318 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@@H]1n1ccnn1 ZINC001129032288 1259294620 /nfs/dbraw/zinc/29/46/20/1259294620.db2.gz MXKNIZITLMWFNX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129032288 1259294623 /nfs/dbraw/zinc/29/46/23/1259294623.db2.gz MXKNIZITLMWFNX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129032288 1259294626 /nfs/dbraw/zinc/29/46/26/1259294626.db2.gz MXKNIZITLMWFNX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129032288 1259294634 /nfs/dbraw/zinc/29/46/34/1259294634.db2.gz MXKNIZITLMWFNX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CCCCC1 ZINC001129122947 1259322898 /nfs/dbraw/zinc/32/28/98/1259322898.db2.gz YRZSMOLTZQXOIP-CVEARBPZSA-N 2 1 364.494 0.124 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CCCCC1 ZINC001129122947 1259322903 /nfs/dbraw/zinc/32/29/03/1259322903.db2.gz YRZSMOLTZQXOIP-CVEARBPZSA-N 2 1 364.494 0.124 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001129210683 1259345472 /nfs/dbraw/zinc/34/54/72/1259345472.db2.gz TXAUBALYSXSHNS-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129228485 1259350206 /nfs/dbraw/zinc/35/02/06/1259350206.db2.gz UWKBCXGRYDYUTB-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249302 1259376746 /nfs/dbraw/zinc/37/67/46/1259376746.db2.gz WSMYANKLGRLUOA-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001130249302 1259376748 /nfs/dbraw/zinc/37/67/48/1259376748.db2.gz WSMYANKLGRLUOA-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130249302 1259376753 /nfs/dbraw/zinc/37/67/53/1259376753.db2.gz WSMYANKLGRLUOA-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249302 1259376759 /nfs/dbraw/zinc/37/67/59/1259376759.db2.gz WSMYANKLGRLUOA-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249302 1259376764 /nfs/dbraw/zinc/37/67/64/1259376764.db2.gz WSMYANKLGRLUOA-ILXRZTDVSA-N 2 1 364.494 0.635 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136664299 1259377802 /nfs/dbraw/zinc/37/78/02/1259377802.db2.gz WSMSLRBNAZFYTD-QGZVFWFLSA-N 2 1 365.522 0.618 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136664299 1259377806 /nfs/dbraw/zinc/37/78/06/1259377806.db2.gz WSMSLRBNAZFYTD-QGZVFWFLSA-N 2 1 365.522 0.618 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200554927 1259416481 /nfs/dbraw/zinc/41/64/81/1259416481.db2.gz MZYPCONTIXANBA-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001200644934 1259418830 /nfs/dbraw/zinc/41/88/30/1259418830.db2.gz UBRBDSLLEDBHKM-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001200652061 1259418874 /nfs/dbraw/zinc/41/88/74/1259418874.db2.gz YHKAFQBOSZKOQZ-VHDGCEQUSA-N 2 1 367.494 0.141 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666929 1259425798 /nfs/dbraw/zinc/42/57/98/1259425798.db2.gz OSHCUGMJASQNAI-DLBZAZTESA-N 2 1 356.474 0.851 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408696 1259493277 /nfs/dbraw/zinc/49/32/77/1259493277.db2.gz YGIQDTITADBGBZ-RRFJBIMHSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408696 1259493285 /nfs/dbraw/zinc/49/32/85/1259493285.db2.gz YGIQDTITADBGBZ-RRFJBIMHSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408460 1259493849 /nfs/dbraw/zinc/49/38/49/1259493849.db2.gz RKBWEECETJTDHK-BRWVUGGUSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410045 1259494980 /nfs/dbraw/zinc/49/49/80/1259494980.db2.gz MRHPNQHGPNSMII-NUJGCVRESA-N 2 1 362.474 0.041 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410045 1259494986 /nfs/dbraw/zinc/49/49/86/1259494986.db2.gz MRHPNQHGPNSMII-NUJGCVRESA-N 2 1 362.474 0.041 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416742 1259496913 /nfs/dbraw/zinc/49/69/13/1259496913.db2.gz QSKRVBBRHNKPNG-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416742 1259496918 /nfs/dbraw/zinc/49/69/18/1259496918.db2.gz QSKRVBBRHNKPNG-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416742 1259496921 /nfs/dbraw/zinc/49/69/21/1259496921.db2.gz QSKRVBBRHNKPNG-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416742 1259496925 /nfs/dbraw/zinc/49/69/25/1259496925.db2.gz QSKRVBBRHNKPNG-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215536853 1259534500 /nfs/dbraw/zinc/53/45/00/1259534500.db2.gz WZMHBKJTVMRQRL-QLFBSQMISA-N 2 1 360.462 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215535987 1259534746 /nfs/dbraw/zinc/53/47/46/1259534746.db2.gz BQLGAYGWPLBMLP-BFYDXBDKSA-N 2 1 362.474 0.817 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)O1 ZINC001235495970 1259574348 /nfs/dbraw/zinc/57/43/48/1259574348.db2.gz UTDWFUIBEBIIMF-BARDWOONSA-N 2 1 361.446 0.334 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)O1 ZINC001235495970 1259574354 /nfs/dbraw/zinc/57/43/54/1259574354.db2.gz UTDWFUIBEBIIMF-BARDWOONSA-N 2 1 361.446 0.334 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235550294 1259579127 /nfs/dbraw/zinc/57/91/27/1259579127.db2.gz ORMMZDUHOVNCOW-WIYYLYMNSA-N 2 1 372.513 0.959 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235550294 1259579133 /nfs/dbraw/zinc/57/91/33/1259579133.db2.gz ORMMZDUHOVNCOW-WIYYLYMNSA-N 2 1 372.513 0.959 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235550293 1259579357 /nfs/dbraw/zinc/57/93/57/1259579357.db2.gz ORMMZDUHOVNCOW-NQIIRXRSSA-N 2 1 372.513 0.959 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1=O ZINC001235550293 1259579366 /nfs/dbraw/zinc/57/93/66/1259579366.db2.gz ORMMZDUHOVNCOW-NQIIRXRSSA-N 2 1 372.513 0.959 20 0 FCADMP c1nc2n(c1C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CCNC2 ZINC001236400525 1259590094 /nfs/dbraw/zinc/59/00/94/1259590094.db2.gz FGJKSWJPKRCMQY-UHFFFAOYSA-N 2 1 362.522 0.120 20 0 FCADMP c1nc2n(c1C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CC[NH2+]C2 ZINC001236400525 1259590100 /nfs/dbraw/zinc/59/01/00/1259590100.db2.gz FGJKSWJPKRCMQY-UHFFFAOYSA-N 3 1 362.522 0.120 20 0 FCADMP c1nc2n(c1C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CC[NH2+]C2 ZINC001236400525 1259590110 /nfs/dbraw/zinc/59/01/10/1259590110.db2.gz FGJKSWJPKRCMQY-UHFFFAOYSA-N 3 1 362.522 0.120 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(-c3nccnc3N3CC[NH2+]CC3)cc2)CC1 ZINC001236555294 1259590936 /nfs/dbraw/zinc/59/09/36/1259590936.db2.gz IDVVKWFAYIHCPS-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cnc3n2CC[NH2+]C3)c1 ZINC001237457285 1259600196 /nfs/dbraw/zinc/60/01/96/1259600196.db2.gz WRPCIOSWHPTIDG-KRWDZBQOSA-N 2 1 355.442 0.919 20 0 FCADMP C[NH+]1CCN(C(=O)c2cccc(-c3cnc(N4CC[NH2+]CC4)nc3)c2)CC1 ZINC001241877943 1259631675 /nfs/dbraw/zinc/63/16/75/1259631675.db2.gz CZEBJLZYJDSNCJ-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP O[C@@H](CNC1(Cc2ccccc2F)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000297 1259644563 /nfs/dbraw/zinc/64/45/63/1259644563.db2.gz YZIAYSWUYBNVTD-QGZVFWFLSA-N 2 1 365.493 0.946 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246039279 1259645401 /nfs/dbraw/zinc/64/54/01/1259645401.db2.gz YRLBAEAJPJXHMG-UTJFUGJHSA-N 2 1 373.497 0.248 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H](O)[C@@H](N)Cc1ccccc1)C2 ZINC001246039279 1259645412 /nfs/dbraw/zinc/64/54/12/1259645412.db2.gz YRLBAEAJPJXHMG-UTJFUGJHSA-N 2 1 373.497 0.248 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H](O)[C@@H](N)Cc1ccccc1)C2 ZINC001246039279 1259645422 /nfs/dbraw/zinc/64/54/22/1259645422.db2.gz YRLBAEAJPJXHMG-UTJFUGJHSA-N 2 1 373.497 0.248 20 0 FCADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049357 1259646010 /nfs/dbraw/zinc/64/60/10/1259646010.db2.gz QTKSJMPOHQAAJF-GBESFXJTSA-N 3 1 368.472 0.550 20 0 FCADMP [NH3+]CC1CN([C@H]2CCCN(C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049357 1259646020 /nfs/dbraw/zinc/64/60/20/1259646020.db2.gz QTKSJMPOHQAAJF-GBESFXJTSA-N 2 1 368.472 0.550 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130044 1259648663 /nfs/dbraw/zinc/64/86/63/1259648663.db2.gz RJUDIMRHDKWBFK-KBPBESRZSA-N 2 1 362.478 0.334 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@@]4(C3)C[NH2+]CCOC4)C[C@H](C1)N2 ZINC001246147309 1259648681 /nfs/dbraw/zinc/64/86/81/1259648681.db2.gz XOPQFYHVKARHLE-PHXFHCBBSA-N 2 1 367.490 0.043 20 0 FCADMP COC(=O)[C@@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246234258 1259651316 /nfs/dbraw/zinc/65/13/16/1259651316.db2.gz UWHRZGWEPCUFDV-YLJYHZDGSA-N 2 1 358.486 0.488 20 0 FCADMP COc1cccc(C(=O)N2CCC(N3CC[NH2+]C[C@]34CC[NH2+]C4)CC2)c1 ZINC001246622433 1259656323 /nfs/dbraw/zinc/65/63/23/1259656323.db2.gz HLKMUFNCYGZZTF-HXUWFJFHSA-N 2 1 358.486 0.937 20 0 FCADMP COc1ccc(CN2CC[C@H]([N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2=O)c(OC)c1 ZINC001246569676 1259657666 /nfs/dbraw/zinc/65/76/66/1259657666.db2.gz RPOPILHWPJNJDY-USXIJHARSA-N 2 1 363.458 0.589 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N(c2[nH+]ccn2C)[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246697505 1259662308 /nfs/dbraw/zinc/66/23/08/1259662308.db2.gz IBFALCNZCWYINW-ILXRZTDVSA-N 2 1 363.462 0.041 20 0 FCADMP O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246705170 1259664397 /nfs/dbraw/zinc/66/43/97/1259664397.db2.gz XHWSWRZOFHKREN-KFAOIVLFSA-N 2 1 357.458 0.893 20 0 FCADMP O=C1CCCN1C[C@H]1Cn2ccnc2C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711750 1259666525 /nfs/dbraw/zinc/66/65/25/1259666525.db2.gz WYFGJFAWRHXFAP-HZPDHXFCSA-N 2 1 358.490 0.031 20 0 FCADMP c1ncn2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1cccnc1)C2 ZINC001246718644 1259667612 /nfs/dbraw/zinc/66/76/12/1259667612.db2.gz JMYZSSQYMHOHGD-IRXDYDNUSA-N 2 1 368.485 0.883 20 0 FCADMP Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246719436 1259668510 /nfs/dbraw/zinc/66/85/10/1259668510.db2.gz GCZDXTIXXPCPSR-KXBFYZLASA-N 2 1 372.517 0.419 20 0 FCADMP Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC[NH2+]CC1)CC2 ZINC001335457631 1259669936 /nfs/dbraw/zinc/66/99/36/1259669936.db2.gz NEQZJKKAVAECKD-OIISXLGYSA-N 2 1 373.505 0.512 20 0 FCADMP C[C@H]1CCCN1C(=O)c1nn([C@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]CC2 ZINC001246729854 1259670146 /nfs/dbraw/zinc/67/01/46/1259670146.db2.gz PWTLUTDLGKNUBY-KBPBESRZSA-N 2 1 358.490 0.420 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461518 1259670997 /nfs/dbraw/zinc/67/09/97/1259670997.db2.gz WKKCPGDGFOOKFI-OWCLPIDISA-N 2 1 352.479 0.308 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246736670 1259673423 /nfs/dbraw/zinc/67/34/23/1259673423.db2.gz HZQJCHZCYPCSMR-XAUMDUMWSA-N 2 1 371.485 0.862 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246736670 1259673429 /nfs/dbraw/zinc/67/34/29/1259673429.db2.gz HZQJCHZCYPCSMR-XAUMDUMWSA-N 2 1 371.485 0.862 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2(C3CC[NH2+]CC3)CC2)CC1 ZINC001335478734 1259678603 /nfs/dbraw/zinc/67/86/03/1259678603.db2.gz VCNROGSSHHYPHD-UHFFFAOYSA-N 2 1 351.495 0.370 20 0 FCADMP O=C1[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246755202 1259682388 /nfs/dbraw/zinc/68/23/88/1259682388.db2.gz HMXHVMGDMDEYNC-SZMVWBNQSA-N 2 1 358.461 0.810 20 0 FCADMP Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246765757 1259683891 /nfs/dbraw/zinc/68/38/91/1259683891.db2.gz KMOHJXDYBCFUOG-VCBZYWHSSA-N 2 1 362.449 0.927 20 0 FCADMP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246759397 1259684584 /nfs/dbraw/zinc/68/45/84/1259684584.db2.gz KOAPUOOTYQAWSM-YRXWBPOGSA-N 2 1 372.517 0.288 20 0 FCADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761311 1259685161 /nfs/dbraw/zinc/68/51/61/1259685161.db2.gz OHIBIZNOAYVSJQ-HLNWXESRSA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761311 1259685167 /nfs/dbraw/zinc/68/51/67/1259685167.db2.gz OHIBIZNOAYVSJQ-HLNWXESRSA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761311 1259685176 /nfs/dbraw/zinc/68/51/76/1259685176.db2.gz OHIBIZNOAYVSJQ-HLNWXESRSA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761311 1259685186 /nfs/dbraw/zinc/68/51/86/1259685186.db2.gz OHIBIZNOAYVSJQ-HLNWXESRSA-N 2 1 365.518 0.960 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)c1ccco1 ZINC001246766358 1259686212 /nfs/dbraw/zinc/68/62/12/1259686212.db2.gz MZGQBOXLYRMVSJ-NBOOPKSLSA-N 2 1 374.485 0.440 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@@H]32)cn1 ZINC001246771737 1259686617 /nfs/dbraw/zinc/68/66/17/1259686617.db2.gz VSKMHBIMJVNLQK-QHGSJHJHSA-N 2 1 373.501 0.770 20 0 FCADMP O=C(Nc1cccnc1)c1noc2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767532 1259687210 /nfs/dbraw/zinc/68/72/10/1259687210.db2.gz RMRNZJDWDGJMPK-CQSZACIVSA-N 2 1 368.441 0.774 20 0 FCADMP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@H+](C1CC[NH2+]CC1)CC2 ZINC001246773477 1259689232 /nfs/dbraw/zinc/68/92/32/1259689232.db2.gz KOMUMHDIIQXZJF-UHFFFAOYSA-N 2 1 357.462 0.157 20 0 FCADMP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246773477 1259689240 /nfs/dbraw/zinc/68/92/40/1259689240.db2.gz KOMUMHDIIQXZJF-UHFFFAOYSA-N 2 1 357.462 0.157 20 0 FCADMP CCOC(=O)CN1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CC1 ZINC001246855839 1259693481 /nfs/dbraw/zinc/69/34/81/1259693481.db2.gz BXWKLACLJQADCY-DNVCBOLYSA-N 2 1 367.490 0.489 20 0 FCADMP C[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001246923218 1259694837 /nfs/dbraw/zinc/69/48/37/1259694837.db2.gz BKSPLOQHCWJHCO-PKOBYXMFSA-N 3 1 361.534 0.765 20 0 FCADMP COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891335 1259695734 /nfs/dbraw/zinc/69/57/34/1259695734.db2.gz ANPMWVIIRXYNFC-ZWKOTPCHSA-N 2 1 358.486 0.440 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891335 1259695737 /nfs/dbraw/zinc/69/57/37/1259695737.db2.gz ANPMWVIIRXYNFC-ZWKOTPCHSA-N 2 1 358.486 0.440 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC001335522040 1259697406 /nfs/dbraw/zinc/69/74/06/1259697406.db2.gz MYHYXNQHICJBKN-MRXNPFEDSA-N 2 1 367.538 0.470 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@]45C[NH2+]C[C@H]4CCN5)n3)c2)CC1 ZINC001247834524 1259706812 /nfs/dbraw/zinc/70/68/12/1259706812.db2.gz HUWXNOMJWYOARQ-XLIONFOSSA-N 2 1 368.485 0.892 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]c1 ZINC001335658288 1259768151 /nfs/dbraw/zinc/76/81/51/1259768151.db2.gz BJRDKRSITHOABS-MRXNPFEDSA-N 2 1 374.489 0.655 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416474 1259786063 /nfs/dbraw/zinc/78/60/63/1259786063.db2.gz YEZBTOHGMHZCJM-DLBZAZTESA-N 2 1 363.458 0.671 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510374 1259793968 /nfs/dbraw/zinc/79/39/68/1259793968.db2.gz LPNXSTLQLFIWOY-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510374 1259793969 /nfs/dbraw/zinc/79/39/69/1259793969.db2.gz LPNXSTLQLFIWOY-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510374 1259793974 /nfs/dbraw/zinc/79/39/74/1259793974.db2.gz LPNXSTLQLFIWOY-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335710702 1259798412 /nfs/dbraw/zinc/79/84/12/1259798412.db2.gz CSSIUCXMNVUFNR-SYNHAJSKSA-N 2 1 374.485 0.030 20 0 FCADMP O=C1C=CC(=O)N1CCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950068 1259812971 /nfs/dbraw/zinc/81/29/71/1259812971.db2.gz BUEYYOBHAISVAJ-HXUWFJFHSA-N 2 1 357.454 0.918 20 0 FCADMP O=C1C=CC(=O)N1CCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950068 1259812976 /nfs/dbraw/zinc/81/29/76/1259812976.db2.gz BUEYYOBHAISVAJ-HXUWFJFHSA-N 2 1 357.454 0.918 20 0 FCADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](CC1(O)CCOCC1)C2 ZINC001252960917 1259815359 /nfs/dbraw/zinc/81/53/59/1259815359.db2.gz SGCLLRJHGDXYPL-UHFFFAOYSA-N 2 1 362.474 0.586 20 0 FCADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+](CC1(O)CCOCC1)C2 ZINC001252960917 1259815364 /nfs/dbraw/zinc/81/53/64/1259815364.db2.gz SGCLLRJHGDXYPL-UHFFFAOYSA-N 2 1 362.474 0.586 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790059 1259841229 /nfs/dbraw/zinc/84/12/29/1259841229.db2.gz HIJMKARNSJAZIG-ZFWWWQNUSA-N 2 1 370.494 0.157 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676146 1259849016 /nfs/dbraw/zinc/84/90/16/1259849016.db2.gz FSNWUMUHZSUJGQ-IKGGRYGDSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676146 1259849019 /nfs/dbraw/zinc/84/90/19/1259849019.db2.gz FSNWUMUHZSUJGQ-IKGGRYGDSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676146 1259849021 /nfs/dbraw/zinc/84/90/21/1259849021.db2.gz FSNWUMUHZSUJGQ-IKGGRYGDSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001253676146 1259849025 /nfs/dbraw/zinc/84/90/25/1259849025.db2.gz FSNWUMUHZSUJGQ-IKGGRYGDSA-N 2 1 364.490 0.876 20 0 FCADMP C[N@@H+](CCO)CCC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915136 1259864464 /nfs/dbraw/zinc/86/44/64/1259864464.db2.gz KDFMNZXZQOCSMS-IRXDYDNUSA-N 2 1 369.416 0.410 20 0 FCADMP C[N@@H+](CCO)CCC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915131 1259864846 /nfs/dbraw/zinc/86/48/46/1259864846.db2.gz KDFMNZXZQOCSMS-IAGOWNOFSA-N 2 1 369.416 0.410 20 0 FCADMP CC[NH+](CC)Cc1cn(CCOCCOCCOCCOCC[NH3+])nn1 ZINC001254152372 1259875819 /nfs/dbraw/zinc/87/58/19/1259875819.db2.gz CWKYJMKFUKGCSG-UHFFFAOYSA-N 2 1 373.498 0.145 20 0 FCADMP CC(=O)N1CCC([N@@H+]2CCc3ncnc(N4CCN(C)CC4)c3CC2)CC1 ZINC001254425532 1259882309 /nfs/dbraw/zinc/88/23/09/1259882309.db2.gz JXVOAYOMCWRVAP-UHFFFAOYSA-N 2 1 372.517 0.640 20 0 FCADMP CC(=O)N1CCC([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001254425532 1259882315 /nfs/dbraw/zinc/88/23/15/1259882315.db2.gz JXVOAYOMCWRVAP-UHFFFAOYSA-N 2 1 372.517 0.640 20 0 FCADMP CC(=O)N1CCC([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001254425532 1259882320 /nfs/dbraw/zinc/88/23/20/1259882320.db2.gz JXVOAYOMCWRVAP-UHFFFAOYSA-N 2 1 372.517 0.640 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518815 1259888491 /nfs/dbraw/zinc/88/84/91/1259888491.db2.gz PGUUJTCMHKDVIY-GOSISDBHSA-N 3 1 365.566 0.641 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254518815 1259888497 /nfs/dbraw/zinc/88/84/97/1259888497.db2.gz PGUUJTCMHKDVIY-GOSISDBHSA-N 2 1 365.566 0.641 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523859 1259889038 /nfs/dbraw/zinc/88/90/38/1259889038.db2.gz SBRWPDMUQWIVBQ-XMTFNYHQSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[NH+]([C@@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523859 1259889043 /nfs/dbraw/zinc/88/90/43/1259889043.db2.gz SBRWPDMUQWIVBQ-XMTFNYHQSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@H]2C[NH+]([C@@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523859 1259889047 /nfs/dbraw/zinc/88/90/47/1259889047.db2.gz SBRWPDMUQWIVBQ-XMTFNYHQSA-N 2 1 361.490 0.866 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C2 ZINC001255186544 1259906395 /nfs/dbraw/zinc/90/63/95/1259906395.db2.gz WQJROHGWNDSMQQ-FQUUOJAGSA-N 2 1 369.466 0.533 20 0 FCADMP CN(C)C(=O)[C@]12C[N@@H+](C3CC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001256204605 1259937670 /nfs/dbraw/zinc/93/76/70/1259937670.db2.gz IXZATUOZTYRYOE-YLJYHZDGSA-N 2 1 372.517 0.930 20 0 FCADMP CN(C)C(=O)[C@]12C[N@H+](C3CC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001256204605 1259937678 /nfs/dbraw/zinc/93/76/78/1259937678.db2.gz IXZATUOZTYRYOE-YLJYHZDGSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001256434883 1259951804 /nfs/dbraw/zinc/95/18/04/1259951804.db2.gz ODSFUEHWBMYLGQ-RBUKOAKNSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CC(C)(C)O ZINC001336174622 1260025458 /nfs/dbraw/zinc/02/54/58/1260025458.db2.gz FJTAEHATQXNFEO-HOTGVXAUSA-N 2 1 368.522 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CC(C)(C)O ZINC001336174623 1260025877 /nfs/dbraw/zinc/02/58/77/1260025877.db2.gz FJTAEHATQXNFEO-HZPDHXFCSA-N 2 1 368.522 0.632 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336176021 1260026952 /nfs/dbraw/zinc/02/69/52/1260026952.db2.gz NZRKPNBUMARKFW-INIZCTEOSA-N 2 1 368.522 0.897 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336176021 1260026959 /nfs/dbraw/zinc/02/69/59/1260026959.db2.gz NZRKPNBUMARKFW-INIZCTEOSA-N 2 1 368.522 0.897 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C[C@H]2C1 ZINC001336268327 1260062722 /nfs/dbraw/zinc/06/27/22/1260062722.db2.gz VHEIAHFGVPBBET-RBSFLKMASA-N 2 1 350.463 0.707 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@@H]1C[NH3+] ZINC001336876714 1260244466 /nfs/dbraw/zinc/24/44/66/1260244466.db2.gz IWFAPDYSOWWXIH-HZPDHXFCSA-N 2 1 354.495 0.494 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001262059262 1260252491 /nfs/dbraw/zinc/25/24/91/1260252491.db2.gz UGGKIKBRPIMQSQ-KSSFIOAISA-N 2 1 369.469 0.775 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001262059263 1260252655 /nfs/dbraw/zinc/25/26/55/1260252655.db2.gz UGGKIKBRPIMQSQ-RDTXWAMCSA-N 2 1 369.469 0.775 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC001262063961 1260253868 /nfs/dbraw/zinc/25/38/68/1260253868.db2.gz NQZFHSKTISUGRX-MWDXBVQZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262095511 1260260121 /nfs/dbraw/zinc/26/01/21/1260260121.db2.gz VQXWALIIKZNGAJ-BZSNNMDCSA-N 2 1 367.538 0.470 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC001336948762 1260264520 /nfs/dbraw/zinc/26/45/20/1260264520.db2.gz XEWMLBYNXUORIX-RYQLBKOJSA-N 2 1 372.469 0.331 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC001336948762 1260264524 /nfs/dbraw/zinc/26/45/24/1260264524.db2.gz XEWMLBYNXUORIX-RYQLBKOJSA-N 2 1 372.469 0.331 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001336964545 1260270481 /nfs/dbraw/zinc/27/04/81/1260270481.db2.gz IURLNCIWRHNWJN-HOTGVXAUSA-N 2 1 361.490 0.167 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CC1 ZINC001263099712 1260339321 /nfs/dbraw/zinc/33/93/21/1260339321.db2.gz RHQFFGUVBJVRPI-CQSZACIVSA-N 2 1 362.478 0.001 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]CCN2C)c1 ZINC001263099883 1260339772 /nfs/dbraw/zinc/33/97/72/1260339772.db2.gz XLQGNAFTYRYEGW-SFHVURJKSA-N 2 1 364.490 0.163 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263101110 1260341808 /nfs/dbraw/zinc/34/18/08/1260341808.db2.gz IRQPIUSCVGPHHV-QFBILLFUSA-N 2 1 361.490 0.213 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756768 1260355684 /nfs/dbraw/zinc/35/56/84/1260355684.db2.gz YTCPPKOSYGUIMS-KPFFTGBYSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001263756768 1260355692 /nfs/dbraw/zinc/35/56/92/1260355692.db2.gz YTCPPKOSYGUIMS-KPFFTGBYSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001263756768 1260355694 /nfs/dbraw/zinc/35/56/94/1260355694.db2.gz YTCPPKOSYGUIMS-KPFFTGBYSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001337440559 1260402345 /nfs/dbraw/zinc/40/23/45/1260402345.db2.gz IBMSKOUUBZWAPB-LEUOFYLZSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001337440559 1260402349 /nfs/dbraw/zinc/40/23/49/1260402349.db2.gz IBMSKOUUBZWAPB-LEUOFYLZSA-N 2 1 374.485 0.246 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001272624527 1260465524 /nfs/dbraw/zinc/46/55/24/1260465524.db2.gz OPGNLJIYDKQZPP-OAHLLOKOSA-N 2 1 359.474 0.504 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001272744463 1260496126 /nfs/dbraw/zinc/49/61/26/1260496126.db2.gz GHNHYWSHXOWPFD-IRXDYDNUSA-N 2 1 360.502 0.626 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)CN3CC[NH+](C)CC3)(C1)CCC2 ZINC001272867395 1260520247 /nfs/dbraw/zinc/52/02/47/1260520247.db2.gz HXWNYVDYUSFXOQ-RBUKOAKNSA-N 2 1 368.522 0.406 20 0 FCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)CC1 ZINC001272924799 1260531269 /nfs/dbraw/zinc/53/12/69/1260531269.db2.gz RIRKYTJPRAQSQJ-PKOBYXMFSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249682 1260635714 /nfs/dbraw/zinc/63/57/14/1260635714.db2.gz YVUMYGVVVBIGBD-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]nc4c3CCC4)C2)C1=O ZINC001277726625 1260662749 /nfs/dbraw/zinc/66/27/49/1260662749.db2.gz RKGQKMBMVGKMSA-IBGZPJMESA-N 2 1 359.474 0.801 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778682 1260670040 /nfs/dbraw/zinc/67/00/40/1260670040.db2.gz RBOXWCGMTCLLIY-PKOBYXMFSA-N 2 1 371.522 0.277 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278464020 1260694601 /nfs/dbraw/zinc/69/46/01/1260694601.db2.gz QEAGZPMIIFIJSA-BRWVUGGUSA-N 2 1 367.490 0.156 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC001278464023 1260694692 /nfs/dbraw/zinc/69/46/92/1260694692.db2.gz QEAGZPMIIFIJSA-ULQDDVLXSA-N 2 1 367.490 0.156 20 0 FCADMP COC(=O)Cc1ccccc1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278624229 1260714330 /nfs/dbraw/zinc/71/43/30/1260714330.db2.gz XPIZLEKUXKQDRX-OALUTQOASA-N 2 1 361.486 0.849 20 0 FCADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)[nH]1 ZINC001279303928 1260830826 /nfs/dbraw/zinc/83/08/26/1260830826.db2.gz TZBYQDWPBOKCMT-GJZGRUSLSA-N 2 1 360.458 0.834 20 0 FCADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)[nH]1 ZINC001279303928 1260830836 /nfs/dbraw/zinc/83/08/36/1260830836.db2.gz TZBYQDWPBOKCMT-GJZGRUSLSA-N 2 1 360.458 0.834 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cncnc4)CC3)[C@@H]2C1 ZINC001279398410 1260859428 /nfs/dbraw/zinc/85/94/28/1260859428.db2.gz KNUQXRPGLKNQFV-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cncnc4)CC3)[C@@H]2C1 ZINC001279398410 1260859430 /nfs/dbraw/zinc/85/94/30/1260859430.db2.gz KNUQXRPGLKNQFV-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC001332271250 1266367876 /nfs/dbraw/zinc/36/78/76/1266367876.db2.gz SLNGYNRSWIXEEG-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC001332271248 1266367942 /nfs/dbraw/zinc/36/79/42/1266367942.db2.gz SLNGYNRSWIXEEG-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279572809 1260895582 /nfs/dbraw/zinc/89/55/82/1260895582.db2.gz PELHBEDGJHNKQT-OKILXGFUSA-N 2 1 363.462 0.428 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279572809 1260895588 /nfs/dbraw/zinc/89/55/88/1260895588.db2.gz PELHBEDGJHNKQT-OKILXGFUSA-N 2 1 363.462 0.428 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279572809 1260895594 /nfs/dbraw/zinc/89/55/94/1260895594.db2.gz PELHBEDGJHNKQT-OKILXGFUSA-N 2 1 363.462 0.428 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCOC4)CC3)[C@@H]2C1 ZINC001279617952 1260900755 /nfs/dbraw/zinc/90/07/55/1260900755.db2.gz NKNNPMNXAICUJJ-KZNAEPCWSA-N 2 1 364.534 0.487 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001279618722 1260901596 /nfs/dbraw/zinc/90/15/96/1260901596.db2.gz ZLZUKANLZWSXTH-MANSERQUSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001279618722 1260901600 /nfs/dbraw/zinc/90/16/00/1260901600.db2.gz ZLZUKANLZWSXTH-MANSERQUSA-N 2 1 363.502 0.809 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4ccnnc4)C[C@@H]3O2)CC1 ZINC001279859000 1260944706 /nfs/dbraw/zinc/94/47/06/1260944706.db2.gz FFJBBCDCERUTLY-NJAFHUGGSA-N 2 1 359.474 0.666 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O1 ZINC001279914935 1260958973 /nfs/dbraw/zinc/95/89/73/1260958973.db2.gz YPWYAJUZRZNLHM-IKGGRYGDSA-N 2 1 368.522 0.354 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001279929159 1260968748 /nfs/dbraw/zinc/96/87/48/1260968748.db2.gz MGSXELVRXFGUBI-KPZWWZAWSA-N 2 1 361.446 0.371 20 0 FCADMP Cc1cccnc1N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280101733 1261003669 /nfs/dbraw/zinc/00/36/69/1261003669.db2.gz LZOFHVIOKOXVPQ-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1ccc[nH+]c1N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280101733 1261003672 /nfs/dbraw/zinc/00/36/72/1261003672.db2.gz LZOFHVIOKOXVPQ-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP Cc1ccc[nH+]c1N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280101733 1261003677 /nfs/dbraw/zinc/00/36/77/1261003677.db2.gz LZOFHVIOKOXVPQ-IRXDYDNUSA-N 2 1 357.502 0.968 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4ccccn4)CC3)[C@H]2C1 ZINC001280119783 1261009257 /nfs/dbraw/zinc/00/92/57/1261009257.db2.gz IPXBTNPVQCHMQZ-GJZGRUSLSA-N 2 1 357.458 0.187 20 0 FCADMP CN(C)C(=O)CNC(=O)c1cc2c([nH]1)C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001280125752 1261010546 /nfs/dbraw/zinc/01/05/46/1261010546.db2.gz NQQYTUDNBGFDTE-UHFFFAOYSA-N 2 1 361.490 0.533 20 0 FCADMP Cc1nc(CNC(=O)[C@@H]2CCC3(C[NH+](CC4CC[NH+](C)CC4)C3)O2)no1 ZINC001280125389 1261011058 /nfs/dbraw/zinc/01/10/58/1261011058.db2.gz IJOCOQQRTBCTIY-HNNXBMFYSA-N 2 1 363.462 0.569 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@@H]2C1 ZINC001280187008 1261024372 /nfs/dbraw/zinc/02/43/72/1261024372.db2.gz BDGNHZDHFYHPIY-HZPDHXFCSA-N 2 1 369.506 0.138 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)cn2)C1 ZINC001280222003 1261039612 /nfs/dbraw/zinc/03/96/12/1261039612.db2.gz XTFZTSAQDBNRME-IAGOWNOFSA-N 2 1 362.522 0.208 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)cn2)C1 ZINC001280222003 1261039617 /nfs/dbraw/zinc/03/96/17/1261039617.db2.gz XTFZTSAQDBNRME-IAGOWNOFSA-N 2 1 362.522 0.208 20 0 FCADMP C[NH+](C)CCCN1CC[N@@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280223145 1261039674 /nfs/dbraw/zinc/03/96/74/1261039674.db2.gz CZOGOTMTDSSKPK-IBGZPJMESA-N 2 1 362.522 0.491 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280227677 1261040371 /nfs/dbraw/zinc/04/03/71/1261040371.db2.gz PZDRTCQHJOXOFL-VQIMIIECSA-N 2 1 368.522 0.356 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001281325086 1261110726 /nfs/dbraw/zinc/11/07/26/1261110726.db2.gz KCRJMBKJTLSKKA-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001281325086 1261110728 /nfs/dbraw/zinc/11/07/28/1261110728.db2.gz KCRJMBKJTLSKKA-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001281325086 1261110732 /nfs/dbraw/zinc/11/07/32/1261110732.db2.gz KCRJMBKJTLSKKA-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001281692315 1261155155 /nfs/dbraw/zinc/15/51/55/1261155155.db2.gz BLMWDQOSSVFBHK-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001281692315 1261155159 /nfs/dbraw/zinc/15/51/59/1261155159.db2.gz BLMWDQOSSVFBHK-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001281862127 1261241291 /nfs/dbraw/zinc/24/12/91/1261241291.db2.gz JRRZQAXOLUZGRQ-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001281862127 1261241295 /nfs/dbraw/zinc/24/12/95/1261241295.db2.gz JRRZQAXOLUZGRQ-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001281862127 1261241296 /nfs/dbraw/zinc/24/12/96/1261241296.db2.gz JRRZQAXOLUZGRQ-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116662 1261637133 /nfs/dbraw/zinc/63/71/33/1261637133.db2.gz IBBIAXZMTAMSJN-HZPDHXFCSA-N 2 1 373.501 0.802 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn3cc(C[NH3+])ccc3n2)C1 ZINC001580340717 1278137795 /nfs/dbraw/zinc/13/77/95/1278137795.db2.gz GYNRMMFKYSLFKI-AWEZNQCLSA-N 2 1 358.446 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001580340889 1278138403 /nfs/dbraw/zinc/13/84/03/1278138403.db2.gz NYHDIJPBIUMSON-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580340889 1278138404 /nfs/dbraw/zinc/13/84/04/1278138404.db2.gz NYHDIJPBIUMSON-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580340889 1278138408 /nfs/dbraw/zinc/13/84/08/1278138408.db2.gz NYHDIJPBIUMSON-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001484568810 1263479576 /nfs/dbraw/zinc/47/95/76/1263479576.db2.gz OIXAESOUUZYVIV-MUIFIZLQSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001320006443 1263753457 /nfs/dbraw/zinc/75/34/57/1263753457.db2.gz WOQMXFLFHGHCQO-BRSBDYLESA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580389748 1278219724 /nfs/dbraw/zinc/21/97/24/1278219724.db2.gz MRLCJCFMSXKEPI-FVCCEPFGSA-N 2 1 356.434 0.083 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584132 1264222631 /nfs/dbraw/zinc/22/26/31/1264222631.db2.gz VBJHEYJHIOWSEB-CQSZACIVSA-N 2 1 372.460 0.965 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584132 1264222639 /nfs/dbraw/zinc/22/26/39/1264222639.db2.gz VBJHEYJHIOWSEB-CQSZACIVSA-N 2 1 372.460 0.965 20 0 FCADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001580401186 1278224151 /nfs/dbraw/zinc/22/41/51/1278224151.db2.gz KCKZELJIABLJNI-IMBTUZDBSA-N 2 1 360.458 0.848 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001322767857 1264259384 /nfs/dbraw/zinc/25/93/84/1264259384.db2.gz SEYOVUGQDYURIC-CYBMUJFWSA-N 2 1 363.462 0.414 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)C2 ZINC001324209637 1264596419 /nfs/dbraw/zinc/59/64/19/1264596419.db2.gz WOMIDEVFDQASCH-XYTVBORESA-N 2 1 373.501 0.954 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)C2 ZINC001324209637 1264596421 /nfs/dbraw/zinc/59/64/21/1264596421.db2.gz WOMIDEVFDQASCH-XYTVBORESA-N 2 1 373.501 0.954 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325700865 1264973674 /nfs/dbraw/zinc/97/36/74/1264973674.db2.gz AXLSILVHVCZSMO-QGZVFWFLSA-N 2 1 362.474 0.235 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574110 1266432600 /nfs/dbraw/zinc/43/26/00/1266432600.db2.gz SIEFMBYCGFRACT-OKZBNKHCSA-N 2 1 367.538 0.694 20 0 FCADMP [NH3+][C@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001580415622 1278263930 /nfs/dbraw/zinc/26/39/30/1278263930.db2.gz YEWXBQRDDQXTFW-HRCADAONSA-N 2 1 364.494 0.166 20 0 FCADMP COC(=O)[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039598 1266527555 /nfs/dbraw/zinc/52/75/55/1266527555.db2.gz XCYINBYPBFUGRH-AZUAARDMSA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+](C)C1 ZINC001333039598 1266527560 /nfs/dbraw/zinc/52/75/60/1266527560.db2.gz XCYINBYPBFUGRH-AZUAARDMSA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C)C1 ZINC001333039598 1266527565 /nfs/dbraw/zinc/52/75/65/1266527565.db2.gz XCYINBYPBFUGRH-AZUAARDMSA-N 2 1 361.486 0.660 20 0 FCADMP CCN(C(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@@H]1CC[NH2+]C1 ZINC001333391414 1266590725 /nfs/dbraw/zinc/59/07/25/1266590725.db2.gz GPHPXGAJIBNRRC-MRXNPFEDSA-N 2 1 374.489 0.389 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC001333598190 1266643882 /nfs/dbraw/zinc/64/38/82/1266643882.db2.gz YZLOAWPALOYFDI-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NCC[NH+]1CCC(O)CC1)NCC[N@@H+]1CCc2sccc2C1 ZINC001334140456 1266850053 /nfs/dbraw/zinc/85/00/53/1266850053.db2.gz KBGBCLSVXAPBBH-UHFFFAOYSA-N 2 1 352.504 0.862 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCN2CCC3(C2)OCCO3)C1 ZINC001527877729 1266931413 /nfs/dbraw/zinc/93/14/13/1266931413.db2.gz HVUMAGYHXVVQFZ-KRWDZBQOSA-N 2 1 366.506 0.809 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001528216812 1266955062 /nfs/dbraw/zinc/95/50/62/1266955062.db2.gz RSIIDENKHYPMNN-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001528216812 1266955069 /nfs/dbraw/zinc/95/50/69/1266955069.db2.gz RSIIDENKHYPMNN-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCC[N@H+]1C ZINC001548941620 1267775405 /nfs/dbraw/zinc/77/54/05/1267775405.db2.gz XLRGEIKNZPKSSY-KEYYUXOJSA-N 2 1 372.477 0.359 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549125745 1267817501 /nfs/dbraw/zinc/81/75/01/1267817501.db2.gz PTGVHDIFRQMLML-HIRMHNASSA-N 2 1 361.490 0.497 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549125748 1267817622 /nfs/dbraw/zinc/81/76/22/1267817622.db2.gz PTGVHDIFRQMLML-RIVXBTQJSA-N 2 1 361.490 0.497 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(=O)N3CCOCC3)[C@H](C)C2)CC1 ZINC001549140507 1267822606 /nfs/dbraw/zinc/82/26/06/1267822606.db2.gz ZXGCILHBXLVKIT-WBVHZDCISA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1 ZINC001549221444 1267863001 /nfs/dbraw/zinc/86/30/01/1267863001.db2.gz TZSYNWGWMFMLNQ-ROUUACIJSA-N 2 1 373.501 0.595 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC001549299057 1267896789 /nfs/dbraw/zinc/89/67/89/1267896789.db2.gz VFQOKBVTDKXBBQ-SJORKVTESA-N 2 1 373.501 0.721 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)n1 ZINC001549483985 1267924111 /nfs/dbraw/zinc/92/41/11/1267924111.db2.gz HSKRKOHETDYKCX-SJORKVTESA-N 2 1 361.490 0.818 20 0 FCADMP NC(=O)C1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001338567561 1267989028 /nfs/dbraw/zinc/98/90/28/1267989028.db2.gz OIQVOGDYAXEGBR-KZNFOHLHSA-N 2 1 363.506 0.641 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC001550005402 1268045747 /nfs/dbraw/zinc/04/57/47/1268045747.db2.gz SGTSRMUYVASCDD-KURKYZTESA-N 2 1 374.533 0.865 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285446 1268103798 /nfs/dbraw/zinc/10/37/98/1268103798.db2.gz NZOJWHYFNDPQFM-IRXDYDNUSA-N 2 1 365.522 0.176 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001550401055 1268111353 /nfs/dbraw/zinc/11/13/53/1268111353.db2.gz QIRNHXSNWWNSJJ-QGZVFWFLSA-N 2 1 361.490 0.951 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001550401055 1268111358 /nfs/dbraw/zinc/11/13/58/1268111358.db2.gz QIRNHXSNWWNSJJ-QGZVFWFLSA-N 2 1 361.490 0.951 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410408 1268113114 /nfs/dbraw/zinc/11/31/14/1268113114.db2.gz ZMZNJADGOHYWTR-KFKAGJAMSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410408 1268113117 /nfs/dbraw/zinc/11/31/17/1268113117.db2.gz ZMZNJADGOHYWTR-KFKAGJAMSA-N 2 1 361.490 0.401 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC001550410001 1268113173 /nfs/dbraw/zinc/11/31/73/1268113173.db2.gz OESUJNUJBKLBKI-BSDSXHPESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[NH+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476623 1268124511 /nfs/dbraw/zinc/12/45/11/1268124511.db2.gz ALGLFBORZGCHRT-PITCONLNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476623 1268124512 /nfs/dbraw/zinc/12/45/12/1268124512.db2.gz ALGLFBORZGCHRT-PITCONLNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476623 1268124513 /nfs/dbraw/zinc/12/45/13/1268124513.db2.gz ALGLFBORZGCHRT-PITCONLNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H](O)C2 ZINC001550485663 1268127140 /nfs/dbraw/zinc/12/71/40/1268127140.db2.gz BKNAPKUYBYARSF-ZDMKNRLGSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H](O)C2 ZINC001550485663 1268127142 /nfs/dbraw/zinc/12/71/42/1268127142.db2.gz BKNAPKUYBYARSF-ZDMKNRLGSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H](O)C2 ZINC001550485663 1268127145 /nfs/dbraw/zinc/12/71/45/1268127145.db2.gz BKNAPKUYBYARSF-ZDMKNRLGSA-N 2 1 353.507 0.429 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485832 1268127702 /nfs/dbraw/zinc/12/77/02/1268127702.db2.gz DQEPRAWNCFOCFU-OMWFQVSUSA-N 2 1 353.507 0.428 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485832 1268127703 /nfs/dbraw/zinc/12/77/03/1268127703.db2.gz DQEPRAWNCFOCFU-OMWFQVSUSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485832 1268127705 /nfs/dbraw/zinc/12/77/05/1268127705.db2.gz DQEPRAWNCFOCFU-OMWFQVSUSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485832 1268127707 /nfs/dbraw/zinc/12/77/07/1268127707.db2.gz DQEPRAWNCFOCFU-OMWFQVSUSA-N 2 1 353.507 0.428 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@H]2C1 ZINC001550652733 1268145553 /nfs/dbraw/zinc/14/55/53/1268145553.db2.gz PCFKQZBZNZENFM-HZPDHXFCSA-N 2 1 352.479 0.071 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@]2(C)C1 ZINC001550656749 1268145683 /nfs/dbraw/zinc/14/56/83/1268145683.db2.gz XZSYVOQJBIBDCW-FUHWJXTLSA-N 2 1 366.506 0.461 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@]2(C)C1 ZINC001550656749 1268145688 /nfs/dbraw/zinc/14/56/88/1268145688.db2.gz XZSYVOQJBIBDCW-FUHWJXTLSA-N 2 1 366.506 0.461 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730412 1268157458 /nfs/dbraw/zinc/15/74/58/1268157458.db2.gz GRCAPJWTBGNNOY-ZWKOTPCHSA-N 2 1 374.485 0.792 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC001550730755 1268157596 /nfs/dbraw/zinc/15/75/96/1268157596.db2.gz IKECPOVXCVZMOT-CVEARBPZSA-N 2 1 352.479 0.261 20 0 FCADMP [NH3+]C[C@]12C[C@H](CN1C(=O)NCC1([NH+]3CCOCC3)CCOCC1)CCC2 ZINC001550730805 1268157813 /nfs/dbraw/zinc/15/78/13/1268157813.db2.gz JEODZVMIKNZUMC-APWZRJJASA-N 2 1 366.506 0.781 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001550755345 1268163369 /nfs/dbraw/zinc/16/33/69/1268163369.db2.gz HKXBSISZLABTFU-VQHPVUNQSA-N 2 1 368.522 0.942 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C2 ZINC001550903154 1268182142 /nfs/dbraw/zinc/18/21/42/1268182142.db2.gz ITYLUDISYZKRNM-CAMMJAKZSA-N 2 1 353.507 0.287 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C2 ZINC001550903154 1268182146 /nfs/dbraw/zinc/18/21/46/1268182146.db2.gz ITYLUDISYZKRNM-CAMMJAKZSA-N 2 1 353.507 0.287 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC001551274932 1268219901 /nfs/dbraw/zinc/21/99/01/1268219901.db2.gz QPDYHUIFDMQOLR-PQUAAJSLSA-N 2 1 354.495 0.386 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465631 1268257188 /nfs/dbraw/zinc/25/71/88/1268257188.db2.gz YECOTPVZMMIGKM-IRXDYDNUSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001551489317 1268261130 /nfs/dbraw/zinc/26/11/30/1268261130.db2.gz BWQZYLLAZSXYMR-COCVIAQXSA-N 2 1 372.469 0.703 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551518920 1268263061 /nfs/dbraw/zinc/26/30/61/1268263061.db2.gz KWPAIVRIYDOEAV-PKOBYXMFSA-N 2 1 373.501 0.901 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551518916 1268263157 /nfs/dbraw/zinc/26/31/57/1268263157.db2.gz KWPAIVRIYDOEAV-HKUYNNGSSA-N 2 1 373.501 0.901 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551561752 1268271548 /nfs/dbraw/zinc/27/15/48/1268271548.db2.gz KKDOPFIQFZYZKG-SOLBZPMBSA-N 2 1 365.522 0.807 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551576872 1268275283 /nfs/dbraw/zinc/27/52/83/1268275283.db2.gz KKYNCUGGTNHIJO-ZOBUZTSGSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551581404 1268278035 /nfs/dbraw/zinc/27/80/35/1268278035.db2.gz QXTSLMIPQPOKNR-UXLLHSPISA-N 2 1 351.495 0.369 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585857 1268279352 /nfs/dbraw/zinc/27/93/52/1268279352.db2.gz BAODMCFSAVIWJG-SOLBZPMBSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551589983 1268280448 /nfs/dbraw/zinc/28/04/48/1268280448.db2.gz JFAZLCHBAXBQQS-YXJHDRRASA-N 2 1 365.522 0.616 20 0 FCADMP CO[C@H]1C[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551940348 1268318691 /nfs/dbraw/zinc/31/86/91/1268318691.db2.gz QEDHXAIRELONGB-CVEARBPZSA-N 2 1 374.489 0.643 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001552008870 1268350033 /nfs/dbraw/zinc/35/00/33/1268350033.db2.gz BQCQDRZYZQOQMT-GVDBMIGSSA-N 2 1 353.511 0.127 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001339912774 1268370383 /nfs/dbraw/zinc/37/03/83/1268370383.db2.gz GURSOOYOVJJORR-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001339912774 1268370390 /nfs/dbraw/zinc/37/03/90/1268370390.db2.gz GURSOOYOVJJORR-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001339912774 1268370403 /nfs/dbraw/zinc/37/04/03/1268370403.db2.gz GURSOOYOVJJORR-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC001552166671 1268398130 /nfs/dbraw/zinc/39/81/30/1268398130.db2.gz JIWKXWVTPJABOB-OKZBNKHCSA-N 2 1 363.506 0.505 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC001552167302 1268399292 /nfs/dbraw/zinc/39/92/92/1268399292.db2.gz YNTWLHVJEOHONT-NJAFHUGGSA-N 2 1 363.506 0.505 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)cn1 ZINC001552173206 1268401953 /nfs/dbraw/zinc/40/19/53/1268401953.db2.gz DLGUCSSQHXDACU-BZUAXINKSA-N 2 1 350.467 0.554 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)C1 ZINC001552201665 1268408159 /nfs/dbraw/zinc/40/81/59/1268408159.db2.gz RHXMXVHPMOVBQN-QINHECLXSA-N 2 1 372.469 0.558 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552200705 1268408496 /nfs/dbraw/zinc/40/84/96/1268408496.db2.gz UJJJOHRRNCOLSP-DNVCBOLYSA-N 2 1 358.442 0.249 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552200698 1268408632 /nfs/dbraw/zinc/40/86/32/1268408632.db2.gz UJJJOHRRNCOLSP-BEFAXECRSA-N 2 1 358.442 0.249 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283511 1268432142 /nfs/dbraw/zinc/43/21/42/1268432142.db2.gz SYIRBWDCJZXJSZ-GFIVTLFCSA-N 2 1 351.491 0.570 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111432 1268438764 /nfs/dbraw/zinc/43/87/64/1268438764.db2.gz CAWGPQRNYZRSDH-CTNGQTDRSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111432 1268438767 /nfs/dbraw/zinc/43/87/67/1268438767.db2.gz CAWGPQRNYZRSDH-CTNGQTDRSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111432 1268438769 /nfs/dbraw/zinc/43/87/69/1268438769.db2.gz CAWGPQRNYZRSDH-CTNGQTDRSA-N 2 1 374.529 0.986 20 0 FCADMP [NH3+]CCc1cnc2c(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnn2c1 ZINC001340138344 1268447730 /nfs/dbraw/zinc/44/77/30/1268447730.db2.gz FTPIBOBCGLOTCL-HNNXBMFYSA-N 2 1 358.446 0.167 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC001552421605 1268460343 /nfs/dbraw/zinc/46/03/43/1268460343.db2.gz PYJFIXKXUYAHIX-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2CNC(=O)[C@@H]2CCCC[NH2+]C2)cc[nH+]1 ZINC001552429439 1268460942 /nfs/dbraw/zinc/46/09/42/1268460942.db2.gz VUAKFPBBRMGQPC-KFWWJZLASA-N 2 1 364.469 0.965 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)CC1 ZINC001340198524 1268469000 /nfs/dbraw/zinc/46/90/00/1268469000.db2.gz FZOXBKRJBNOXOA-ZDUSSCGKSA-N 2 1 363.462 0.380 20 0 FCADMP CCn1c(C2=NO[C@H](CO)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001340211911 1268472465 /nfs/dbraw/zinc/47/24/65/1268472465.db2.gz DECALGARSYVRPO-MJBXVCDLSA-N 2 1 366.466 0.329 20 0 FCADMP CCn1c(C2=NO[C@@H](CO)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001340211910 1268472679 /nfs/dbraw/zinc/47/26/79/1268472679.db2.gz DECALGARSYVRPO-HZSPNIEDSA-N 2 1 366.466 0.329 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001552603494 1268486165 /nfs/dbraw/zinc/48/61/65/1268486165.db2.gz HPUDWDFNPXJENY-QZWWFDLISA-N 2 1 363.510 0.895 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC001340347689 1268518690 /nfs/dbraw/zinc/51/86/90/1268518690.db2.gz BBBHWUXZZWBFRF-GOSISDBHSA-N 2 1 360.506 0.486 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001552682736 1268520633 /nfs/dbraw/zinc/52/06/33/1268520633.db2.gz ABERUTBZVDSMGR-QGZVFWFLSA-N 2 1 370.457 0.344 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001552682736 1268520640 /nfs/dbraw/zinc/52/06/40/1268520640.db2.gz ABERUTBZVDSMGR-QGZVFWFLSA-N 2 1 370.457 0.344 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC001552705845 1268525484 /nfs/dbraw/zinc/52/54/84/1268525484.db2.gz BAGVROZLYGKUQD-QGZVFWFLSA-N 2 1 361.490 0.591 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC001552705845 1268525490 /nfs/dbraw/zinc/52/54/90/1268525490.db2.gz BAGVROZLYGKUQD-QGZVFWFLSA-N 2 1 361.490 0.591 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001340397059 1268534670 /nfs/dbraw/zinc/53/46/70/1268534670.db2.gz DCYIEVIERSFQNL-QUCCMNQESA-N 2 1 361.486 0.898 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001552799320 1268549225 /nfs/dbraw/zinc/54/92/25/1268549225.db2.gz ZNWYLNDQFBKJFC-BRSBDYLESA-N 2 1 367.538 0.515 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001552799320 1268549231 /nfs/dbraw/zinc/54/92/31/1268549231.db2.gz ZNWYLNDQFBKJFC-BRSBDYLESA-N 2 1 367.538 0.515 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001552799320 1268549234 /nfs/dbraw/zinc/54/92/34/1268549234.db2.gz ZNWYLNDQFBKJFC-BRSBDYLESA-N 2 1 367.538 0.515 20 0 FCADMP CN1CC[NH+](C2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC001552977070 1268571764 /nfs/dbraw/zinc/57/17/64/1268571764.db2.gz RLTSFVBYWDFWIW-UHFFFAOYSA-N 2 1 351.539 0.155 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553368914 1268638636 /nfs/dbraw/zinc/63/86/36/1268638636.db2.gz LNDMTNMUHDMPAF-BFUOFWGJSA-N 2 1 355.442 0.835 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553368914 1268638646 /nfs/dbraw/zinc/63/86/46/1268638646.db2.gz LNDMTNMUHDMPAF-BFUOFWGJSA-N 2 1 355.442 0.835 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553368922 1268639720 /nfs/dbraw/zinc/63/97/20/1268639720.db2.gz LNDMTNMUHDMPAF-ORAYPTAESA-N 2 1 355.442 0.835 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553368922 1268639724 /nfs/dbraw/zinc/63/97/24/1268639724.db2.gz LNDMTNMUHDMPAF-ORAYPTAESA-N 2 1 355.442 0.835 20 0 FCADMP CN(C)C(=O)COc1cccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553389189 1268642572 /nfs/dbraw/zinc/64/25/72/1268642572.db2.gz KAUWLWXANCQDDE-KUHUBIRLSA-N 2 1 360.458 0.633 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553406526 1268646149 /nfs/dbraw/zinc/64/61/49/1268646149.db2.gz IJPLUUHFPXWEMM-BZSNNMDCSA-N 2 1 372.469 0.210 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)c1 ZINC001553403744 1268646254 /nfs/dbraw/zinc/64/62/54/1268646254.db2.gz AZGAOZTXRVRQPZ-LTIDMASMSA-N 2 1 358.442 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)c1 ZINC001553403744 1268646261 /nfs/dbraw/zinc/64/62/61/1268646261.db2.gz AZGAOZTXRVRQPZ-LTIDMASMSA-N 2 1 358.442 0.594 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@](C[NH3+])(C3CCOCC3)C2)n1C ZINC001553457201 1268654759 /nfs/dbraw/zinc/65/47/59/1268654759.db2.gz GJVZRCAHELXYAZ-GOSISDBHSA-N 2 1 364.494 0.773 20 0 FCADMP CCO[C@H]1COC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553491296 1268658500 /nfs/dbraw/zinc/65/85/00/1268658500.db2.gz UTVFTOGQMSEMCS-YVSFHVDLSA-N 2 1 352.479 0.401 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1=O ZINC001341549500 1269074077 /nfs/dbraw/zinc/07/40/77/1269074077.db2.gz JTYAJKNGQJYIDU-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc(OC)c1 ZINC001341616787 1269111981 /nfs/dbraw/zinc/11/19/81/1269111981.db2.gz BXXRZQPEPABTBP-XJKSGUPXSA-N 2 1 351.447 0.493 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc(OC)c1 ZINC001341616787 1269111987 /nfs/dbraw/zinc/11/19/87/1269111987.db2.gz BXXRZQPEPABTBP-XJKSGUPXSA-N 2 1 351.447 0.493 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC1 ZINC001566048285 1269580811 /nfs/dbraw/zinc/58/08/11/1269580811.db2.gz IALNEYJKKBNCCI-SJORKVTESA-N 2 1 362.518 0.635 20 0 FCADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567841250 1269709427 /nfs/dbraw/zinc/70/94/27/1269709427.db2.gz VEUIXBZTEYQVSC-OTWHNJEPSA-N 2 1 361.486 0.387 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1OC ZINC001343015211 1269732083 /nfs/dbraw/zinc/73/20/83/1269732083.db2.gz SBHUMFWMLIXRJU-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1OC ZINC001343015211 1269732089 /nfs/dbraw/zinc/73/20/89/1269732089.db2.gz SBHUMFWMLIXRJU-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1OC ZINC001343015211 1269732096 /nfs/dbraw/zinc/73/20/96/1269732096.db2.gz SBHUMFWMLIXRJU-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001343103461 1269772969 /nfs/dbraw/zinc/77/29/69/1269772969.db2.gz UACAKFNRMGETTH-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1OC ZINC001343103461 1269772975 /nfs/dbraw/zinc/77/29/75/1269772975.db2.gz UACAKFNRMGETTH-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC001343103461 1269772977 /nfs/dbraw/zinc/77/29/77/1269772977.db2.gz UACAKFNRMGETTH-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CC2)[C@@H](c2ccccc2)C1 ZINC001569419270 1269785074 /nfs/dbraw/zinc/78/50/74/1269785074.db2.gz ZXMVXEBGSQMNHR-MSOLQXFVSA-N 2 1 368.485 0.862 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)c3cc4n(n3)C[C@H](C)[NH2+]C4)CC2)c1 ZINC001343424622 1269904698 /nfs/dbraw/zinc/90/46/98/1269904698.db2.gz ROTNOPSXLLXJFB-ZDUSSCGKSA-N 2 1 356.430 0.741 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O ZINC001343605333 1269958883 /nfs/dbraw/zinc/95/88/83/1269958883.db2.gz KUEBXNCMEPARLF-SJORKVTESA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001572836409 1270224127 /nfs/dbraw/zinc/22/41/27/1270224127.db2.gz RQNUMYAIAQEDDI-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001572836409 1270224130 /nfs/dbraw/zinc/22/41/30/1270224130.db2.gz RQNUMYAIAQEDDI-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC001573066493 1270587606 /nfs/dbraw/zinc/58/76/06/1270587606.db2.gz PRZIGOVMPGMKDA-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001573069250 1270590587 /nfs/dbraw/zinc/59/05/87/1270590587.db2.gz JSXUNAWGRFNUOL-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H](C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974535 1270968460 /nfs/dbraw/zinc/96/84/60/1270968460.db2.gz OPQNMLYLEZFGGL-XJKSGUPXSA-N 2 1 372.477 0.885 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260546 1271131639 /nfs/dbraw/zinc/13/16/39/1271131639.db2.gz LVGZECLAOZPYRX-UHFFFAOYSA-N 2 1 351.480 0.864 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574264836 1271141686 /nfs/dbraw/zinc/14/16/86/1271141686.db2.gz PUJFWMGBBIHQIC-WKILWMFISA-N 2 1 357.462 0.944 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580655568 1278636261 /nfs/dbraw/zinc/63/62/61/1278636261.db2.gz ZLSSDDSAKSKYIJ-SFHVURJKSA-N 2 1 357.502 0.950 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574785908 1271519877 /nfs/dbraw/zinc/51/98/77/1271519877.db2.gz PCYIMFHLBICIBF-AWEZNQCLSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874884 1271629268 /nfs/dbraw/zinc/62/92/68/1271629268.db2.gz FLCRIKMSTRPCOM-RYUDHWBXSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877301 1271636752 /nfs/dbraw/zinc/63/67/52/1271636752.db2.gz QUKRLZYZGHUSRO-WCQYABFASA-N 2 1 361.425 0.552 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877970 1271640377 /nfs/dbraw/zinc/64/03/77/1271640377.db2.gz UEVAUSKCGQCOOV-DGCLKSJQSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896674 1271659198 /nfs/dbraw/zinc/65/91/98/1271659198.db2.gz GGRVIWKBMQIMQY-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574909582 1271673561 /nfs/dbraw/zinc/67/35/61/1271673561.db2.gz PRQQUDZXXUPJSO-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575115038 1271730036 /nfs/dbraw/zinc/73/00/36/1271730036.db2.gz MENNBXOTJJKSCN-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(F)(F)C[NH3+] ZINC001575138951 1271741253 /nfs/dbraw/zinc/74/12/53/1271741253.db2.gz FMAIKYMQFCUASJ-ZDUSSCGKSA-N 2 1 372.464 0.982 20 0 FCADMP CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(F)(F)C[NH3+] ZINC001575138951 1271741259 /nfs/dbraw/zinc/74/12/59/1271741259.db2.gz FMAIKYMQFCUASJ-ZDUSSCGKSA-N 2 1 372.464 0.982 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437702 1272107053 /nfs/dbraw/zinc/10/70/53/1272107053.db2.gz CJWOKJUXNPGRED-KGLIPLIRSA-N 2 1 372.477 0.673 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(=O)[nH]c1=O ZINC001575672948 1272284902 /nfs/dbraw/zinc/28/49/02/1272284902.db2.gz GNXQVEJTKGMFTP-VXGBXAGGSA-N 2 1 351.451 0.287 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1CCC[N@@H+](C)C(C)C ZINC001575711174 1272348745 /nfs/dbraw/zinc/34/87/45/1272348745.db2.gz CGHOYPLLAVJIOE-GJZGRUSLSA-N 2 1 365.526 0.930 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC(C)(C)[NH3+] ZINC001575713181 1272355022 /nfs/dbraw/zinc/35/50/22/1272355022.db2.gz SQMNNDDVIICEBY-ZIAGYGMSSA-N 2 1 363.510 0.827 20 0 FCADMP C[C@H](C[NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001575995856 1272666849 /nfs/dbraw/zinc/66/68/49/1272666849.db2.gz GARNEADLQVGZFI-RBSFLKMASA-N 2 1 361.494 0.499 20 0 FCADMP CC1CC[NH+](CC(=O)NCC2([NH2+]CCc3c[nH]nn3)CCOCC2)CC1 ZINC001576105633 1272888621 /nfs/dbraw/zinc/88/86/21/1272888621.db2.gz WZGYHMRIZRZRPP-UHFFFAOYSA-N 2 1 364.494 0.334 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1c[nH]nn1)CC2)[NH+](C)C ZINC001576182619 1272979304 /nfs/dbraw/zinc/97/93/04/1272979304.db2.gz APBIVDWTRWZFFA-HOTGVXAUSA-N 2 1 364.494 0.632 20 0 FCADMP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001576201817 1272987262 /nfs/dbraw/zinc/98/72/62/1272987262.db2.gz YZLISXKYDYKUTE-ARFHVFGLSA-N 2 1 353.511 0.160 20 0 FCADMP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001576201825 1272988020 /nfs/dbraw/zinc/98/80/20/1272988020.db2.gz YZLISXKYDYKUTE-XHSDSOJGSA-N 2 1 353.511 0.160 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486563 1273334712 /nfs/dbraw/zinc/33/47/12/1273334712.db2.gz XOEVFQARPKDYDD-CVEARBPZSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486563 1273334721 /nfs/dbraw/zinc/33/47/21/1273334721.db2.gz XOEVFQARPKDYDD-CVEARBPZSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486563 1273334728 /nfs/dbraw/zinc/33/47/28/1273334728.db2.gz XOEVFQARPKDYDD-CVEARBPZSA-N 2 1 350.467 0.039 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497083 1273354508 /nfs/dbraw/zinc/35/45/08/1273354508.db2.gz BSCYYSOXCZPUAQ-HOTGVXAUSA-N 2 1 357.462 0.897 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557680 1273436551 /nfs/dbraw/zinc/43/65/51/1273436551.db2.gz SRTJVGMIJOTPLW-CVEARBPZSA-N 2 1 362.478 0.181 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708451 1273579675 /nfs/dbraw/zinc/57/96/75/1273579675.db2.gz DPUGLCGBRWGSSB-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708451 1273579679 /nfs/dbraw/zinc/57/96/79/1273579679.db2.gz DPUGLCGBRWGSSB-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP CN(C[C@@H](O)C[NH2+]CCc1c[nH]nn1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001576747287 1273617787 /nfs/dbraw/zinc/61/77/87/1273617787.db2.gz KDOSDZSYZZCCGW-INIZCTEOSA-N 2 1 366.510 0.268 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794291 1273696059 /nfs/dbraw/zinc/69/60/59/1273696059.db2.gz DUELENXRHQOBGK-JKSUJKDBSA-N 2 1 357.462 0.803 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794622 1273697194 /nfs/dbraw/zinc/69/71/94/1273697194.db2.gz FCKFYVMWBRUPHP-JKSUJKDBSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]C[C@H]3O)c2)CCO1 ZINC001576808501 1273720874 /nfs/dbraw/zinc/72/08/74/1273720874.db2.gz DCEQCGJEOCIKJI-BMGDILEWSA-N 2 1 362.474 0.287 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]C[C@H]3O)c2)CCO1 ZINC001576808501 1273720879 /nfs/dbraw/zinc/72/08/79/1273720879.db2.gz DCEQCGJEOCIKJI-BMGDILEWSA-N 2 1 362.474 0.287 20 0 FCADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824594 1273747949 /nfs/dbraw/zinc/74/79/49/1273747949.db2.gz SJAYMKNNXPGIDI-CHWSQXEVSA-N 2 1 358.450 0.332 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576841988 1273780386 /nfs/dbraw/zinc/78/03/86/1273780386.db2.gz QAIIVCAQHPDDPO-FRRDWIJNSA-N 2 1 358.450 0.331 20 0 FCADMP C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001576847198 1273793209 /nfs/dbraw/zinc/79/32/09/1273793209.db2.gz ZPRUWUVTTJYPIN-BZUAXINKSA-N 2 1 364.494 0.635 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576848638 1273798557 /nfs/dbraw/zinc/79/85/57/1273798557.db2.gz XEVBLZMNKZEMAP-IUODEOHRSA-N 2 1 358.450 0.393 20 0 FCADMP C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576863259 1273828870 /nfs/dbraw/zinc/82/88/70/1273828870.db2.gz YYJHDIICZDQUIR-LSDHHAIUSA-N 2 1 359.478 0.921 20 0 FCADMP C[C@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576863259 1273828876 /nfs/dbraw/zinc/82/88/76/1273828876.db2.gz YYJHDIICZDQUIR-LSDHHAIUSA-N 2 1 359.478 0.921 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCC(CC[NH2+]Cc3c[nH]nn3)CC2)CC1 ZINC001576883443 1273865445 /nfs/dbraw/zinc/86/54/45/1273865445.db2.gz NEUWHCIJQIDDOF-UHFFFAOYSA-N 2 1 364.494 0.634 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576884587 1273870928 /nfs/dbraw/zinc/87/09/28/1273870928.db2.gz XRWCKOKTIYCIRL-OAHLLOKOSA-N 2 1 350.467 0.039 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnn[nH]3)C2)[C@@H](c2ccccc2)C1 ZINC001576890439 1273881422 /nfs/dbraw/zinc/88/14/22/1273881422.db2.gz VESLZJSPMDDLNP-JQHSSLGASA-N 2 1 354.458 0.841 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnn[nH]3)C2)[C@@H](c2ccccc2)C1 ZINC001576890439 1273881432 /nfs/dbraw/zinc/88/14/32/1273881432.db2.gz VESLZJSPMDDLNP-JQHSSLGASA-N 2 1 354.458 0.841 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576993758 1274027039 /nfs/dbraw/zinc/02/70/39/1274027039.db2.gz ADAIYEZWXOCLDI-HUUCEWRRSA-N 2 1 363.510 0.782 20 0 FCADMP CC[C@@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577131921 1274182812 /nfs/dbraw/zinc/18/28/12/1274182812.db2.gz SNRAYSXTNJBFEP-CVEARBPZSA-N 2 1 357.462 0.598 20 0 FCADMP CC[C@@H]([NH3+])Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577131921 1274182816 /nfs/dbraw/zinc/18/28/16/1274182816.db2.gz SNRAYSXTNJBFEP-CVEARBPZSA-N 2 1 357.462 0.598 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001577430188 1274405146 /nfs/dbraw/zinc/40/51/46/1274405146.db2.gz SRZZEJWHCSGKJA-UHFFFAOYSA-N 2 1 353.511 0.668 20 0 FCADMP CCCN(C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CC[N@@H+](C)C1 ZINC001577488608 1274445521 /nfs/dbraw/zinc/44/55/21/1274445521.db2.gz CBZJHBLHTXDDOD-CABCVRRESA-N 2 1 352.479 0.797 20 0 FCADMP CCC[N@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001577530284 1274474350 /nfs/dbraw/zinc/47/43/50/1274474350.db2.gz ISKLGIXGAXAFRQ-HOTGVXAUSA-N 2 1 366.510 0.710 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577551459 1274491416 /nfs/dbraw/zinc/49/14/16/1274491416.db2.gz SKBPWIQJPDYRTM-HNNXBMFYSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577560381 1274508312 /nfs/dbraw/zinc/50/83/12/1274508312.db2.gz DDYPNWGXNAVGNI-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577560877 1274509991 /nfs/dbraw/zinc/50/99/91/1274509991.db2.gz KEJPSAIIPUYVSQ-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577561463 1274511570 /nfs/dbraw/zinc/51/15/70/1274511570.db2.gz ZUCZYNKLFKOXBE-UHFFFAOYSA-N 2 1 357.462 0.947 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577562876 1274513776 /nfs/dbraw/zinc/51/37/76/1274513776.db2.gz IDKXDCRDABYXOA-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577562876 1274513780 /nfs/dbraw/zinc/51/37/80/1274513780.db2.gz IDKXDCRDABYXOA-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577562876 1274513782 /nfs/dbraw/zinc/51/37/82/1274513782.db2.gz IDKXDCRDABYXOA-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562837 1274514492 /nfs/dbraw/zinc/51/44/92/1274514492.db2.gz HCCGJFIYRVIPFW-AATRIKPKSA-N 2 1 358.450 0.418 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577567865 1274524240 /nfs/dbraw/zinc/52/42/40/1274524240.db2.gz JMTPSYLCIDVKLY-ZFWWWQNUSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570646 1274530885 /nfs/dbraw/zinc/53/08/85/1274530885.db2.gz BXBALXKOMTZDJD-CHWSQXEVSA-N 2 1 360.466 0.721 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571609 1274536454 /nfs/dbraw/zinc/53/64/54/1274536454.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 1 369.473 0.649 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571609 1274536457 /nfs/dbraw/zinc/53/64/57/1274536457.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 1 369.473 0.649 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571609 1274536460 /nfs/dbraw/zinc/53/64/60/1274536460.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 1 369.473 0.649 20 0 FCADMP CCN(C)C(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001577654340 1274656684 /nfs/dbraw/zinc/65/66/84/1274656684.db2.gz ANCBFRXARIEUGV-GJZGRUSLSA-N 2 1 363.510 0.711 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577668418 1274688649 /nfs/dbraw/zinc/68/86/49/1274688649.db2.gz KHUGNGSDWPMEOR-MRXNPFEDSA-N 2 1 370.461 0.785 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577668418 1274688655 /nfs/dbraw/zinc/68/86/55/1274688655.db2.gz KHUGNGSDWPMEOR-MRXNPFEDSA-N 2 1 370.461 0.785 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672743 1274705151 /nfs/dbraw/zinc/70/51/51/1274705151.db2.gz ADXXCLPKKCDAHU-XJKSGUPXSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH3+])C1)C(C)C ZINC001577731421 1274807928 /nfs/dbraw/zinc/80/79/28/1274807928.db2.gz PTNQBOKJFJJWAI-LSDHHAIUSA-N 2 1 365.526 0.930 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755607 1274835703 /nfs/dbraw/zinc/83/57/03/1274835703.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1c[nH]nn1)C2 ZINC001577755607 1274835718 /nfs/dbraw/zinc/83/57/18/1274835718.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1c[nH]nn1)C2 ZINC001577755607 1274835725 /nfs/dbraw/zinc/83/57/25/1274835725.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755607 1274835732 /nfs/dbraw/zinc/83/57/32/1274835732.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755607 1274835740 /nfs/dbraw/zinc/83/57/40/1274835740.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1cn[nH]n1)C2 ZINC001577755607 1274835755 /nfs/dbraw/zinc/83/57/55/1274835755.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1cn[nH]n1)C2 ZINC001577755607 1274835761 /nfs/dbraw/zinc/83/57/61/1274835761.db2.gz YEXQENLKFKAPKU-IAGOWNOFSA-N 2 1 358.490 0.898 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577770197 1274856005 /nfs/dbraw/zinc/85/60/05/1274856005.db2.gz BYXHKZLFEVQMJJ-HUUCEWRRSA-N 2 1 361.494 0.422 20 0 FCADMP CCN1CC[NH+](CCCn2c([C@@H]3CCC[NH2+]C3)nnc2N(C)OC)CC1 ZINC001577778330 1274870476 /nfs/dbraw/zinc/87/04/76/1274870476.db2.gz SXRYBHSJZQYOMH-MRXNPFEDSA-N 2 1 365.526 0.770 20 0 FCADMP CCN1CC[NH+](CCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001577778263 1274871247 /nfs/dbraw/zinc/87/12/47/1274871247.db2.gz OVQZVXTVZVVTDQ-NVXWUHKLSA-N 2 1 361.538 0.967 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001577778233 1274871583 /nfs/dbraw/zinc/87/15/83/1274871583.db2.gz NNTINYUTAATRNH-HZPDHXFCSA-N 2 1 355.527 0.816 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2cnnn2C)C[C@@H]1C ZINC001577780760 1274875645 /nfs/dbraw/zinc/87/56/45/1274875645.db2.gz FHYCSVAXDFJQDH-MELADBBJSA-N 2 1 359.482 0.190 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@H]1C ZINC001577782308 1274876042 /nfs/dbraw/zinc/87/60/42/1274876042.db2.gz YTXLRYXWUYMHPO-HUUCEWRRSA-N 2 1 373.509 0.452 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@@H]1C ZINC001577782306 1274876093 /nfs/dbraw/zinc/87/60/93/1274876093.db2.gz YTXLRYXWUYMHPO-GJZGRUSLSA-N 2 1 373.509 0.452 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001577833960 1274947938 /nfs/dbraw/zinc/94/79/38/1274947938.db2.gz AQHJTCLVSRZLEZ-INIZCTEOSA-N 2 1 353.511 0.605 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577849408 1274983936 /nfs/dbraw/zinc/98/39/36/1274983936.db2.gz MDYGMBQYJDMZCL-UHFFFAOYSA-N 2 1 360.466 0.888 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577852008 1274994516 /nfs/dbraw/zinc/99/45/16/1274994516.db2.gz HXYFPLDHOGKSOJ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852287 1274995203 /nfs/dbraw/zinc/99/52/03/1274995203.db2.gz NVILVGRXRPTTOA-KGLIPLIRSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577855740 1275008406 /nfs/dbraw/zinc/00/84/06/1275008406.db2.gz OTSAFVMQYYPNQX-UHFFFAOYSA-N 2 1 358.450 0.561 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577860158 1275021231 /nfs/dbraw/zinc/02/12/31/1275021231.db2.gz SEIVVUNQMKRSFC-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001577861656 1275027421 /nfs/dbraw/zinc/02/74/21/1275027421.db2.gz YYPWZXFBCUSJMI-GDBMZVCRSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862412 1275027676 /nfs/dbraw/zinc/02/76/76/1275027676.db2.gz BCLFAKFSJLCHNL-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862412 1275027683 /nfs/dbraw/zinc/02/76/83/1275027683.db2.gz BCLFAKFSJLCHNL-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577863756 1275038308 /nfs/dbraw/zinc/03/83/08/1275038308.db2.gz ZJDLGUZIVKTJJE-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866113 1275043593 /nfs/dbraw/zinc/04/35/93/1275043593.db2.gz ADKKCFLBPCZLNW-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866113 1275043602 /nfs/dbraw/zinc/04/36/02/1275043602.db2.gz ADKKCFLBPCZLNW-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577866113 1275043611 /nfs/dbraw/zinc/04/36/11/1275043611.db2.gz ADKKCFLBPCZLNW-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869819 1275054693 /nfs/dbraw/zinc/05/46/93/1275054693.db2.gz YHLCZNBUCGHWBG-HDJSIYSDSA-N 2 1 372.477 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577869726 1275055480 /nfs/dbraw/zinc/05/54/80/1275055480.db2.gz RLIYEMGTIWVUDK-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCOCC3)c1 ZINC001577881078 1275079169 /nfs/dbraw/zinc/07/91/69/1275079169.db2.gz IIAYKHYYAGXKPQ-JKSUJKDBSA-N 2 1 353.488 0.971 20 0 FCADMP CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577947110 1275166227 /nfs/dbraw/zinc/16/62/27/1275166227.db2.gz UFABINQCWRBWHO-OAHLLOKOSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952727 1275174995 /nfs/dbraw/zinc/17/49/95/1275174995.db2.gz RNSOKVYDQCNRRP-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952727 1275174999 /nfs/dbraw/zinc/17/49/99/1275174999.db2.gz RNSOKVYDQCNRRP-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952727 1275175002 /nfs/dbraw/zinc/17/50/02/1275175002.db2.gz RNSOKVYDQCNRRP-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952727 1275175009 /nfs/dbraw/zinc/17/50/09/1275175009.db2.gz RNSOKVYDQCNRRP-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CCN(CCNC(=O)C[N@@H+](C)C(C)C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577994083 1275243717 /nfs/dbraw/zinc/24/37/17/1275243717.db2.gz NJUHMLNFJDZPEO-UHFFFAOYSA-N 2 1 360.466 0.853 20 0 FCADMP CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578004927 1275265819 /nfs/dbraw/zinc/26/58/19/1275265819.db2.gz WSPIFBAWVWOYFA-CYBMUJFWSA-N 2 1 372.477 0.854 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578218968 1275511988 /nfs/dbraw/zinc/51/19/88/1275511988.db2.gz AQJFBOGHKUESCV-INIZCTEOSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220871 1275518268 /nfs/dbraw/zinc/51/82/68/1275518268.db2.gz BHOBMWRHENMQOZ-SWLSCSKDSA-N 2 1 358.450 0.475 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224152 1275523402 /nfs/dbraw/zinc/52/34/02/1275523402.db2.gz KJZKQOKYWYMXDO-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224152 1275523409 /nfs/dbraw/zinc/52/34/09/1275523409.db2.gz KJZKQOKYWYMXDO-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224152 1275523415 /nfs/dbraw/zinc/52/34/15/1275523415.db2.gz KJZKQOKYWYMXDO-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224152 1275523419 /nfs/dbraw/zinc/52/34/19/1275523419.db2.gz KJZKQOKYWYMXDO-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578397761 1275772631 /nfs/dbraw/zinc/77/26/31/1275772631.db2.gz XFHKOIKWBWEPNC-HZPDHXFCSA-N 2 1 353.511 0.618 20 0 FCADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452116 1275847532 /nfs/dbraw/zinc/84/75/32/1275847532.db2.gz OUDAHGBKJHPKFY-RYUDHWBXSA-N 2 1 350.385 0.279 20 0 FCADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452115 1275848389 /nfs/dbraw/zinc/84/83/89/1275848389.db2.gz OUDAHGBKJHPKFY-NWDGAFQWSA-N 2 1 350.385 0.279 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578525998 1275959764 /nfs/dbraw/zinc/95/97/64/1275959764.db2.gz WPZXJOJIQJKNMX-APWZRJJASA-N 2 1 371.489 0.116 20 0 FCADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529745 1275961229 /nfs/dbraw/zinc/96/12/29/1275961229.db2.gz ZHRPTHUTVZXIML-IRXDYDNUSA-N 2 1 356.470 0.798 20 0 FCADMP C[NH2+][C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)CCOC)C1 ZINC001578601278 1276033696 /nfs/dbraw/zinc/03/36/96/1276033696.db2.gz AYBXXBVHRFRJLZ-HZPDHXFCSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001578654515 1276105423 /nfs/dbraw/zinc/10/54/23/1276105423.db2.gz RKDLVUFJHQUWCB-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)C1 ZINC001578669920 1276123395 /nfs/dbraw/zinc/12/33/95/1276123395.db2.gz UJYCLHRSBOZUNA-LSDHHAIUSA-N 2 1 363.510 0.615 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001578841296 1276359577 /nfs/dbraw/zinc/35/95/77/1276359577.db2.gz BLQULEPWJAILAH-KQVLKZGSSA-N 2 1 350.463 0.535 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)C2 ZINC001578843246 1276364128 /nfs/dbraw/zinc/36/41/28/1276364128.db2.gz XLJFXSQJOJAVCJ-BFQNTYOBSA-N 2 1 371.434 0.185 20 0 FCADMP CO[C@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936587 1276479726 /nfs/dbraw/zinc/47/97/26/1276479726.db2.gz WCXFPLTUPUVXHU-SJORKVTESA-N 2 1 359.474 0.313 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578970994 1276514197 /nfs/dbraw/zinc/51/41/97/1276514197.db2.gz QBNYBAAMBMNTAB-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001578970995 1276514538 /nfs/dbraw/zinc/51/45/38/1276514538.db2.gz QBNYBAAMBMNTAB-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578971097 1276516027 /nfs/dbraw/zinc/51/60/27/1276516027.db2.gz TYOABKXHHZEVDB-LBPRGKRZSA-N 2 1 356.434 0.298 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578973805 1276521060 /nfs/dbraw/zinc/52/10/60/1276521060.db2.gz BWAVXVNSCCIJTL-OAHLLOKOSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578975627 1276525791 /nfs/dbraw/zinc/52/57/91/1276525791.db2.gz CCRLXUZZJJNMHN-GOSISDBHSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578976093 1276526284 /nfs/dbraw/zinc/52/62/84/1276526284.db2.gz NEUJXCICKGLMRA-NVXWUHKLSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001578976346 1276528658 /nfs/dbraw/zinc/52/86/58/1276528658.db2.gz VYLYVRBUNNCSNQ-MAUKXSAKSA-N 2 1 370.461 0.831 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001578978965 1276537557 /nfs/dbraw/zinc/53/75/57/1276537557.db2.gz RRXXVZVTLHSOIW-CQSZACIVSA-N 2 1 358.450 0.544 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578987540 1276558024 /nfs/dbraw/zinc/55/80/24/1276558024.db2.gz ISCDQLZKWREDSQ-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578987540 1276558030 /nfs/dbraw/zinc/55/80/30/1276558030.db2.gz ISCDQLZKWREDSQ-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP COC[C@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578990308 1276563669 /nfs/dbraw/zinc/56/36/69/1276563669.db2.gz QOZQNVLHNAXVCE-AFIMGQEJSA-N 2 1 364.494 0.022 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578990735 1276564029 /nfs/dbraw/zinc/56/40/29/1276564029.db2.gz HQIRFWIVDJTXIN-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579010996 1276585747 /nfs/dbraw/zinc/58/57/47/1276585747.db2.gz RKXRTXLNRMTPJE-HAQNSBGRSA-N 2 1 356.434 0.227 20 0 FCADMP COCC[NH2+]CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001579046460 1276642083 /nfs/dbraw/zinc/64/20/83/1276642083.db2.gz NFTYCAMSDBOQPT-UHFFFAOYSA-N 2 1 358.483 0.328 20 0 FCADMP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001579133651 1276833294 /nfs/dbraw/zinc/83/32/94/1276833294.db2.gz ZSYJCPXXMONSKZ-INIZCTEOSA-N 2 1 373.461 0.088 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001579133651 1276833315 /nfs/dbraw/zinc/83/33/15/1276833315.db2.gz ZSYJCPXXMONSKZ-INIZCTEOSA-N 2 1 373.461 0.088 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579133651 1276833337 /nfs/dbraw/zinc/83/33/37/1276833337.db2.gz ZSYJCPXXMONSKZ-INIZCTEOSA-N 2 1 373.461 0.088 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579133651 1276833345 /nfs/dbraw/zinc/83/33/45/1276833345.db2.gz ZSYJCPXXMONSKZ-INIZCTEOSA-N 2 1 373.461 0.088 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC001579189325 1276961787 /nfs/dbraw/zinc/96/17/87/1276961787.db2.gz PCGVJRTVDRVBOQ-CJNGLKHVSA-N 2 1 362.430 0.138 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325159 1277142709 /nfs/dbraw/zinc/14/27/09/1277142709.db2.gz AZPFCQAVPGZKEK-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325156 1277142825 /nfs/dbraw/zinc/14/28/25/1277142825.db2.gz AZPFCQAVPGZKEK-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327892 1277155474 /nfs/dbraw/zinc/15/54/74/1277155474.db2.gz YKFFTTQOYOVANM-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001579330171 1277160778 /nfs/dbraw/zinc/16/07/78/1277160778.db2.gz YXKIEKQLUNGAQQ-UHFFFAOYSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001579331506 1277162762 /nfs/dbraw/zinc/16/27/62/1277162762.db2.gz FCKGSWNCOPTYPX-GFCCVEGCSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001579331727 1277162829 /nfs/dbraw/zinc/16/28/29/1277162829.db2.gz HDZSPBLPWMSMKT-NSHDSACASA-N 2 1 361.475 0.618 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333360 1277169058 /nfs/dbraw/zinc/16/90/58/1277169058.db2.gz QEHDLNDTLBMGSE-DOTOQJQBSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339966 1277185564 /nfs/dbraw/zinc/18/55/64/1277185564.db2.gz OQFYVUCGLSMBAF-CQDKDKBSSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341465 1277189184 /nfs/dbraw/zinc/18/91/84/1277189184.db2.gz MSAKPZXILVNVDC-KGLIPLIRSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001579358365 1277226761 /nfs/dbraw/zinc/22/67/61/1277226761.db2.gz CNHYHILRXDZEOO-OAHLLOKOSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359296 1277231087 /nfs/dbraw/zinc/23/10/87/1277231087.db2.gz RWOMVIUBZNJWNQ-INIZCTEOSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359769 1277233215 /nfs/dbraw/zinc/23/32/15/1277233215.db2.gz CQXSQAXIGGOKSB-XEZPLFJOSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363121 1277241245 /nfs/dbraw/zinc/24/12/45/1277241245.db2.gz WCZXGOGHGVFPIV-LZWOXQAQSA-N 2 1 373.436 0.837 20 0 FCADMP O=S(=O)(NCCN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC001580868227 1279069931 /nfs/dbraw/zinc/06/99/31/1279069931.db2.gz GLSKTPLYCIPEIK-INIZCTEOSA-N 2 1 352.504 0.192 20 0 FCADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001580867563 1279070570 /nfs/dbraw/zinc/07/05/70/1279070570.db2.gz KHYNAEOKEBECBN-IRXDYDNUSA-N 2 1 359.536 0.817 20 0 FCADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001580867561 1279071266 /nfs/dbraw/zinc/07/12/66/1279071266.db2.gz KHYNAEOKEBECBN-DLBZAZTESA-N 2 1 359.536 0.817 20 0 FCADMP O=S(=O)(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001580869786 1279072388 /nfs/dbraw/zinc/07/23/88/1279072388.db2.gz IGKGWFXPSSFGNB-DLBZAZTESA-N 2 1 353.488 0.425 20 0 FCADMP Cc1cc(N(C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942839 1279151166 /nfs/dbraw/zinc/15/11/66/1279151166.db2.gz SSGVJLRXSKUWRN-CQSZACIVSA-N 2 1 372.477 0.947 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959674 1279163754 /nfs/dbraw/zinc/16/37/54/1279163754.db2.gz YYHODPPARWTDJT-MGPQQGTHSA-N 2 1 370.461 0.605 20 0 FCADMP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967483 1279168488 /nfs/dbraw/zinc/16/84/88/1279168488.db2.gz SZZIFWHEWCUANQ-DZGCQCFKSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987083 1279184065 /nfs/dbraw/zinc/18/40/65/1279184065.db2.gz FOUITEIKNQQUBB-NHYWBVRUSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987826 1279187171 /nfs/dbraw/zinc/18/71/71/1279187171.db2.gz MPSGCZNOPHLPCG-BLLLJJGKSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988320 1279189049 /nfs/dbraw/zinc/18/90/49/1279189049.db2.gz IQPZOFYKGSKOTQ-QWHCGFSZSA-N 2 1 360.466 0.637 20 0 FCADMP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989482 1279189989 /nfs/dbraw/zinc/18/99/89/1279189989.db2.gz NPKQCMZBKWQTMW-OLZOCXBDSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990713 1279192800 /nfs/dbraw/zinc/19/28/00/1279192800.db2.gz HMEHLHJIQWNFRG-OCCSQVGLSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990707 1279193271 /nfs/dbraw/zinc/19/32/71/1279193271.db2.gz HISFYAVEPVHWJS-IUODEOHRSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990708 1279193541 /nfs/dbraw/zinc/19/35/41/1279193541.db2.gz HISFYAVEPVHWJS-SWLSCSKDSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002387 1279218277 /nfs/dbraw/zinc/21/82/77/1279218277.db2.gz PRTKHDSDMDAYHW-ZIAGYGMSSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008550 1279232635 /nfs/dbraw/zinc/23/26/35/1279232635.db2.gz LPAAQSWMGKQQBK-MLGOLLRUSA-N 2 1 372.477 0.591 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011760 1279238134 /nfs/dbraw/zinc/23/81/34/1279238134.db2.gz OFKWRPVPURMAJU-BFHYXJOUSA-N 2 1 372.477 0.591 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024575 1279256902 /nfs/dbraw/zinc/25/69/02/1279256902.db2.gz JASLTBVXDOOOQC-BLLLJJGKSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(NCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027226 1279260937 /nfs/dbraw/zinc/26/09/37/1279260937.db2.gz NNHCVHCVUSXCDN-HNNXBMFYSA-N 2 1 358.450 0.347 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026979 1279261700 /nfs/dbraw/zinc/26/17/00/1279261700.db2.gz PHVIHYLYJUBEHL-GFCCVEGCSA-N 2 1 360.466 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581338778 1279719939 /nfs/dbraw/zinc/71/99/39/1279719939.db2.gz SXYGDCFYAYBIDF-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581341896 1279727288 /nfs/dbraw/zinc/72/72/88/1279727288.db2.gz ALHJPFGBGVLFSG-SHTZXODSSA-N 2 1 366.429 0.809 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001716731869 1287388729 /nfs/dbraw/zinc/38/87/29/1287388729.db2.gz QBHFZQNNTMLBIJ-GPMSIDNRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001716731869 1287388730 /nfs/dbraw/zinc/38/87/30/1287388730.db2.gz QBHFZQNNTMLBIJ-GPMSIDNRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001716731869 1287388731 /nfs/dbraw/zinc/38/87/31/1287388731.db2.gz QBHFZQNNTMLBIJ-GPMSIDNRSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001581562121 1280135048 /nfs/dbraw/zinc/13/50/48/1280135048.db2.gz KBLVLNBTYIHFIY-UHFFFAOYSA-N 2 1 368.445 0.962 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001581562121 1280135053 /nfs/dbraw/zinc/13/50/53/1280135053.db2.gz KBLVLNBTYIHFIY-UHFFFAOYSA-N 2 1 368.445 0.962 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581564366 1280142939 /nfs/dbraw/zinc/14/29/39/1280142939.db2.gz YPYBBZUUOVVOAJ-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581565233 1280145008 /nfs/dbraw/zinc/14/50/08/1280145008.db2.gz FEABHFFVUWEISG-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581565425 1280145686 /nfs/dbraw/zinc/14/56/86/1280145686.db2.gz QJMPMVHEWJRXDN-GASCZTMLSA-N 2 1 366.429 0.809 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582046733 1280967151 /nfs/dbraw/zinc/96/71/51/1280967151.db2.gz WSRLADSTAAQCMX-AWEZNQCLSA-N 2 1 370.461 0.833 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001603905109 1287528106 /nfs/dbraw/zinc/52/81/06/1287528106.db2.gz FXNOAAJPGOXJNF-MGPQQGTHSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC001583001611 1282061947 /nfs/dbraw/zinc/06/19/47/1282061947.db2.gz KWJGJUXOTRAKHT-IXDOHACOSA-N 2 1 368.522 0.186 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001604270451 1287596110 /nfs/dbraw/zinc/59/61/10/1287596110.db2.gz FBXPWQFZIFKYNU-INIZCTEOSA-N 2 1 372.477 0.674 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589676589 1282934678 /nfs/dbraw/zinc/93/46/78/1282934678.db2.gz FCTXTCJLDMUCTK-SNAWJCMRSA-N 2 1 357.462 0.969 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001590196167 1283303385 /nfs/dbraw/zinc/30/33/85/1283303385.db2.gz DGFZCHFUXMVDAD-WPGHFRTFSA-N 2 1 355.446 0.652 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001590196167 1283303392 /nfs/dbraw/zinc/30/33/92/1283303392.db2.gz DGFZCHFUXMVDAD-WPGHFRTFSA-N 2 1 355.446 0.652 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001590270798 1283396371 /nfs/dbraw/zinc/39/63/71/1283396371.db2.gz NGVZRIJNDWQKAF-GFCCVEGCSA-N 2 1 361.425 0.553 20 0 FCADMP C[C@H]1OCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590333301 1283477890 /nfs/dbraw/zinc/47/78/90/1283477890.db2.gz FCCBVMIQQLQUJG-AUUYWEPGSA-N 2 1 372.473 0.961 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001719066781 1287648951 /nfs/dbraw/zinc/64/89/51/1287648951.db2.gz UFDZFCVHPUNMEB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001719066781 1287648958 /nfs/dbraw/zinc/64/89/58/1287648958.db2.gz UFDZFCVHPUNMEB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)C1 ZINC001682657676 1283741227 /nfs/dbraw/zinc/74/12/27/1283741227.db2.gz DWCZINZVRPVMIO-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001682657676 1283741233 /nfs/dbraw/zinc/74/12/33/1283741233.db2.gz DWCZINZVRPVMIO-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001682657676 1283741239 /nfs/dbraw/zinc/74/12/39/1283741239.db2.gz DWCZINZVRPVMIO-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683026885 1283841338 /nfs/dbraw/zinc/84/13/38/1283841338.db2.gz IEPHXKWXDAIHSM-QGZVFWFLSA-N 2 1 368.522 0.897 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683026885 1283841349 /nfs/dbraw/zinc/84/13/49/1283841349.db2.gz IEPHXKWXDAIHSM-QGZVFWFLSA-N 2 1 368.522 0.897 20 0 FCADMP C[NH+](C)CCOc1ccc(C[NH2+]CCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001591021312 1284078031 /nfs/dbraw/zinc/07/80/31/1284078031.db2.gz HCGCPQJUPHUHBQ-UHFFFAOYSA-N 2 1 357.422 0.188 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001591172897 1284260571 /nfs/dbraw/zinc/26/05/71/1284260571.db2.gz MXPWDHALUUHDRD-AWEZNQCLSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591174577 1284262239 /nfs/dbraw/zinc/26/22/39/1284262239.db2.gz WWCIVHUJPLAKPU-LBPRGKRZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175135 1284262763 /nfs/dbraw/zinc/26/27/63/1284262763.db2.gz HXLYYEVLXCNGKO-AWEZNQCLSA-N 2 1 361.425 0.553 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175341 1284267959 /nfs/dbraw/zinc/26/79/59/1284267959.db2.gz LOOKPUWGVVKOMV-XVWMLYKFSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001591176666 1284270235 /nfs/dbraw/zinc/27/02/35/1284270235.db2.gz SIPZNDLXUKUEFI-GFCCVEGCSA-N 2 1 361.425 0.553 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176257 1284271801 /nfs/dbraw/zinc/27/18/01/1284271801.db2.gz MLIHRNZFAUEQKO-KZSQQDEKSA-N 2 1 369.473 0.971 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187354 1284299286 /nfs/dbraw/zinc/29/92/86/1284299286.db2.gz QRBAMLPZLIMXFE-IBUXWKBASA-N 2 1 361.475 0.784 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591187528 1284302485 /nfs/dbraw/zinc/30/24/85/1284302485.db2.gz XXRDTLXPRRGNJT-DJIMGWMZSA-N 2 1 369.473 0.945 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC001591189892 1284309529 /nfs/dbraw/zinc/30/95/29/1284309529.db2.gz XNUAHLWMHJEHAT-UHFFFAOYSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC001591189892 1284309530 /nfs/dbraw/zinc/30/95/30/1284309530.db2.gz XNUAHLWMHJEHAT-UHFFFAOYSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684181 1287731813 /nfs/dbraw/zinc/73/18/13/1287731813.db2.gz XEWNARHBCMNZJH-IAGOWNOFSA-N 2 1 360.462 0.943 20 0 FCADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684181 1287731824 /nfs/dbraw/zinc/73/18/24/1287731824.db2.gz XEWNARHBCMNZJH-IAGOWNOFSA-N 2 1 360.462 0.943 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001591760195 1284887964 /nfs/dbraw/zinc/88/79/64/1284887964.db2.gz GQMRTMPHEILJOA-OLMNPRSZSA-N 2 1 358.446 0.538 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001591760195 1284887969 /nfs/dbraw/zinc/88/79/69/1284887969.db2.gz GQMRTMPHEILJOA-OLMNPRSZSA-N 2 1 358.446 0.538 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001592741941 1285660300 /nfs/dbraw/zinc/66/03/00/1285660300.db2.gz RDUWOADVZXOLJV-HOCLYGCPSA-N 2 1 355.446 0.783 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001592741945 1285660917 /nfs/dbraw/zinc/66/09/17/1285660917.db2.gz RDUWOADVZXOLJV-ZBFHGGJFSA-N 2 1 355.446 0.783 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)N1CC[NH2+]CC1 ZINC001592783302 1285705329 /nfs/dbraw/zinc/70/53/29/1285705329.db2.gz HMESJMBBUZJHFQ-MRXNPFEDSA-N 2 1 355.446 0.511 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001592785946 1285711713 /nfs/dbraw/zinc/71/17/13/1285711713.db2.gz BQAUREZLDKVYBF-QFBILLFUSA-N 2 1 367.457 0.656 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N(C1CC1)C1CC[NH2+]CC1 ZINC001592787075 1285713297 /nfs/dbraw/zinc/71/32/97/1285713297.db2.gz RJXZMQLNMXYAJO-QGZVFWFLSA-N 2 1 367.457 0.797 20 0 FCADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505705 1286184583 /nfs/dbraw/zinc/18/45/83/1286184583.db2.gz PBGYOVYAAPDFMB-HIFRSBDPSA-N 2 1 358.446 0.680 20 0 FCADMP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001593511056 1286187817 /nfs/dbraw/zinc/18/78/17/1286187817.db2.gz FGMXKXQOJAIVLL-DZKIICNBSA-N 2 1 358.446 0.680 20 0 FCADMP OC[C@@H]1CCC[NH+]1Cc1cc(C[N@@H+]2CCC[C@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529622 1286193328 /nfs/dbraw/zinc/19/33/28/1286193328.db2.gz WCQKRICBMQAUTF-ROUUACIJSA-N 2 1 372.473 0.780 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707065815 1286435772 /nfs/dbraw/zinc/43/57/72/1286435772.db2.gz KCFLITFTWGOJDR-OVYGPGRDSA-N 2 1 352.523 0.972 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707221735 1287066863 /nfs/dbraw/zinc/06/68/63/1287066863.db2.gz RTYPRTZERRWHGI-CVEARBPZSA-N 2 1 350.507 0.587 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228509 1287077948 /nfs/dbraw/zinc/07/79/48/1287077948.db2.gz QLXGJASRMCFTIQ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228509 1287077957 /nfs/dbraw/zinc/07/79/57/1287077957.db2.gz QLXGJASRMCFTIQ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)CC[C@@H]2C1 ZINC001707228509 1287077966 /nfs/dbraw/zinc/07/79/66/1287077966.db2.gz QLXGJASRMCFTIQ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605697581 1288053432 /nfs/dbraw/zinc/05/34/32/1288053432.db2.gz MYTHLSGAUXKGOO-OAHLLOKOSA-N 2 1 370.461 0.703 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)F ZINC001606437367 1288316120 /nfs/dbraw/zinc/31/61/20/1288316120.db2.gz KZUNOABXZIYPTK-NEPJUHHUSA-N 2 1 351.361 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCc3nccn3C2)CC[N@H+]1C ZINC001721708889 1288371078 /nfs/dbraw/zinc/37/10/78/1288371078.db2.gz WXGMUBGPCFZSLM-BZUAXINKSA-N 2 1 361.490 0.703 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001721927526 1288391384 /nfs/dbraw/zinc/39/13/84/1288391384.db2.gz MRFZTKSKPUGZJQ-CKEIUWERSA-N 2 1 370.457 0.842 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001721927526 1288391390 /nfs/dbraw/zinc/39/13/90/1288391390.db2.gz MRFZTKSKPUGZJQ-CKEIUWERSA-N 2 1 370.457 0.842 20 0 FCADMP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001606780689 1288512084 /nfs/dbraw/zinc/51/20/84/1288512084.db2.gz JWYJIUUTKJPXPC-MRXNPFEDSA-N 2 1 370.461 0.619 20 0 FCADMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609221052 1288994017 /nfs/dbraw/zinc/99/40/17/1288994017.db2.gz CYMZQCZALFWRIX-QGZVFWFLSA-N 2 1 359.478 0.297 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609221052 1288994018 /nfs/dbraw/zinc/99/40/18/1288994018.db2.gz CYMZQCZALFWRIX-QGZVFWFLSA-N 2 1 359.478 0.297 20 0 FCADMP CC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609229822 1289003470 /nfs/dbraw/zinc/00/34/70/1289003470.db2.gz YCBRQMPSRLTMGI-UHFFFAOYSA-N 2 1 372.477 0.694 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912737 1289342159 /nfs/dbraw/zinc/34/21/59/1289342159.db2.gz SLXMDOGBBIZCNW-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912737 1289342165 /nfs/dbraw/zinc/34/21/65/1289342165.db2.gz SLXMDOGBBIZCNW-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912737 1289342175 /nfs/dbraw/zinc/34/21/75/1289342175.db2.gz SLXMDOGBBIZCNW-JQHSSLGASA-N 2 1 358.486 0.645 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001691917706 1289342897 /nfs/dbraw/zinc/34/28/97/1289342897.db2.gz MLICHUUBCANMFF-OWCLPIDISA-N 2 1 366.485 0.964 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691981595 1289357138 /nfs/dbraw/zinc/35/71/38/1289357138.db2.gz DFIHWDNQEHKGDS-BHYGNILZSA-N 2 1 351.495 0.679 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CCOCCO ZINC001692182022 1289420203 /nfs/dbraw/zinc/42/02/03/1289420203.db2.gz KABZIISEFAQANS-ZBFHGGJFSA-N 2 1 359.430 0.469 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001692281023 1289441427 /nfs/dbraw/zinc/44/14/27/1289441427.db2.gz OLGBVFDKAQCJHA-UAGQMJEPSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001692284616 1289443465 /nfs/dbraw/zinc/44/34/65/1289443465.db2.gz ZVMLDQOGOKXWKI-KURKYZTESA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001692284616 1289443469 /nfs/dbraw/zinc/44/34/69/1289443469.db2.gz ZVMLDQOGOKXWKI-KURKYZTESA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692289039 1289444980 /nfs/dbraw/zinc/44/49/80/1289444980.db2.gz IHRXEWXNONKSDS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692289132 1289445030 /nfs/dbraw/zinc/44/50/30/1289445030.db2.gz KGVTWJVNDRPHJJ-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001692289132 1289445035 /nfs/dbraw/zinc/44/50/35/1289445035.db2.gz KGVTWJVNDRPHJJ-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001692289132 1289445040 /nfs/dbraw/zinc/44/50/40/1289445040.db2.gz KGVTWJVNDRPHJJ-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)Nc2nncs2)C2CC2)CC[N@H+]1C ZINC001699576750 1289557934 /nfs/dbraw/zinc/55/79/34/1289557934.db2.gz PCHAQJJUPDWURK-RAIGVLPGSA-N 2 1 366.491 0.301 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC1(CCO)CC[NH+](C)CC1)n2C ZINC001624480488 1290275425 /nfs/dbraw/zinc/27/54/25/1290275425.db2.gz WBVYZPWXEWKCHN-UHFFFAOYSA-N 2 1 360.462 0.611 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CCC)C[C@@H]1O ZINC001739663048 1290325966 /nfs/dbraw/zinc/32/59/66/1290325966.db2.gz BIVRROLGOJLNCP-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1O ZINC001739663048 1290325971 /nfs/dbraw/zinc/32/59/71/1290325971.db2.gz BIVRROLGOJLNCP-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@@H]1O ZINC001739663048 1290325982 /nfs/dbraw/zinc/32/59/82/1290325982.db2.gz BIVRROLGOJLNCP-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001628009687 1290501113 /nfs/dbraw/zinc/50/11/13/1290501113.db2.gz PNFRRLADQXCNCK-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741852133 1290561842 /nfs/dbraw/zinc/56/18/42/1290561842.db2.gz OMDPZXORSXZVQO-OAGGEKHMSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741852133 1290561850 /nfs/dbraw/zinc/56/18/50/1290561850.db2.gz OMDPZXORSXZVQO-OAGGEKHMSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741840058 1290562350 /nfs/dbraw/zinc/56/23/50/1290562350.db2.gz FWPWZCSHNGRCKD-DOTOQJQBSA-N 2 1 371.489 0.811 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741840058 1290562358 /nfs/dbraw/zinc/56/23/58/1290562358.db2.gz FWPWZCSHNGRCKD-DOTOQJQBSA-N 2 1 371.489 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc(CO)ccc2F)CC[N@H+]1C ZINC001754882586 1290635232 /nfs/dbraw/zinc/63/52/32/1290635232.db2.gz KGBRFHYMTYWUJM-RHSMWYFYSA-N 2 1 367.465 0.569 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001754952202 1290639062 /nfs/dbraw/zinc/63/90/62/1290639062.db2.gz VFCUWAOKOFZJIM-KBUPBQIOSA-N 2 1 367.494 0.047 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001755280981 1290643139 /nfs/dbraw/zinc/64/31/39/1290643139.db2.gz TZCJSTFMJSHMSW-UONOGXRCSA-N 2 1 351.499 0.515 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)C1 ZINC001757247395 1290750732 /nfs/dbraw/zinc/75/07/32/1290750732.db2.gz SMIWFCULLIPWDY-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001646025698 1291055369 /nfs/dbraw/zinc/05/53/69/1291055369.db2.gz AORAVMDJGXSDRO-NSHDSACASA-N 2 1 362.438 0.306 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001653845139 1291372618 /nfs/dbraw/zinc/37/26/18/1291372618.db2.gz JHVYRNLRLQLEAM-AYBZRNKSSA-N 2 1 361.486 0.441 20 0 FCADMP CCCc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001667827513 1291944732 /nfs/dbraw/zinc/94/47/32/1291944732.db2.gz TZZMOSWZYCUYBL-RBSFLKMASA-N 2 1 352.479 0.842 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001668400837 1291962667 /nfs/dbraw/zinc/96/26/67/1291962667.db2.gz XGWGDISQYAKIHT-ALOPSCKCSA-N 2 1 365.522 0.854 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC001678310364 1292260423 /nfs/dbraw/zinc/26/04/23/1292260423.db2.gz XEYSWEYZGDQFDI-UHFFFAOYSA-N 2 1 355.527 0.959 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001685620535 1292574800 /nfs/dbraw/zinc/57/48/00/1292574800.db2.gz ZJIDFVTUWDEJNC-OKZBNKHCSA-N 2 1 368.522 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001688903451 1294549395 /nfs/dbraw/zinc/54/93/95/1294549395.db2.gz IQUCDODUXQOCHO-MXASKKJJSA-N 2 1 350.507 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001689075866 1294595984 /nfs/dbraw/zinc/59/59/84/1294595984.db2.gz DEAYIRIUUBMEFB-NVXWUHKLSA-N 2 1 351.495 0.713 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689083824 1294602747 /nfs/dbraw/zinc/60/27/47/1294602747.db2.gz PPABDJQMYDVOMG-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001689097011 1294615292 /nfs/dbraw/zinc/61/52/92/1294615292.db2.gz MXONXLPOIAYQJR-BPQIPLTHSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001689295370 1294718717 /nfs/dbraw/zinc/71/87/17/1294718717.db2.gz CJTOARJEKVGYSX-ILXRZTDVSA-N 2 1 370.469 0.394 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1C[C@@H](O)COCC(F)(F)F ZINC001689314586 1294737635 /nfs/dbraw/zinc/73/76/35/1294737635.db2.gz CHIAAEXRPOPJDM-UPJWGTAASA-N 2 1 355.401 0.457 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001689317040 1294740665 /nfs/dbraw/zinc/74/06/65/1294740665.db2.gz SQKVCFIAJLOBOL-UWWQBHOKSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001689317040 1294740673 /nfs/dbraw/zinc/74/06/73/1294740673.db2.gz SQKVCFIAJLOBOL-UWWQBHOKSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1CCn1cccn1 ZINC001689323557 1294750083 /nfs/dbraw/zinc/75/00/83/1294750083.db2.gz OIBVPMUBPWJEPN-MSOLQXFVSA-N 2 1 363.506 0.965 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1CCn1cccn1 ZINC001689323557 1294750094 /nfs/dbraw/zinc/75/00/94/1294750094.db2.gz OIBVPMUBPWJEPN-MSOLQXFVSA-N 2 1 363.506 0.965 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCC(C)(C)C3)CC2)CC[N@H+]1C ZINC001689587638 1294799519 /nfs/dbraw/zinc/79/95/19/1294799519.db2.gz BBKROIIIDPKFDK-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC[NH+]1C ZINC001689587638 1294799526 /nfs/dbraw/zinc/79/95/26/1294799526.db2.gz BBKROIIIDPKFDK-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC[NH+]1C ZINC001689587638 1294799531 /nfs/dbraw/zinc/79/95/31/1294799531.db2.gz BBKROIIIDPKFDK-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](CC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001690060446 1294852264 /nfs/dbraw/zinc/85/22/64/1294852264.db2.gz WRWHUPQHDSOAKX-CEXWTWQISA-N 2 1 366.550 0.877 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001690623784 1294876979 /nfs/dbraw/zinc/87/69/79/1294876979.db2.gz WPQNNKHLYIGDQR-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCS(C)(=O)=O)c2ccccc2)CC[N@@H+]1C ZINC001691783230 1294921769 /nfs/dbraw/zinc/92/17/69/1294921769.db2.gz VDUGJYVEJSJFKY-OIISXLGYSA-N 2 1 367.515 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCS(C)(=O)=O)c2ccccc2)CC[N@H+]1C ZINC001691783230 1294921776 /nfs/dbraw/zinc/92/17/76/1294921776.db2.gz VDUGJYVEJSJFKY-OIISXLGYSA-N 2 1 367.515 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001691786024 1294922711 /nfs/dbraw/zinc/92/27/11/1294922711.db2.gz MAPDDGZNEDCQAW-KBUPBQIOSA-N 2 1 360.462 0.240 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691834439 1294932974 /nfs/dbraw/zinc/93/29/74/1294932974.db2.gz JNURPNLAGYRFHC-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CCN(C)c1cc[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164747814 720944128 /nfs/dbraw/zinc/94/41/28/720944128.db2.gz DKQURYRDCGTCHX-UHFFFAOYSA-N 2 1 373.461 0.775 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866621 721111055 /nfs/dbraw/zinc/11/10/55/721111055.db2.gz UGOSRUDTKNCJEV-ZWKOTPCHSA-N 2 1 366.469 0.997 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001164869359 721272565 /nfs/dbraw/zinc/27/25/65/721272565.db2.gz LOEHNORVXSGIPT-UHFFFAOYSA-N 2 1 374.489 0.087 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926028 721871544 /nfs/dbraw/zinc/87/15/44/721871544.db2.gz PYTANNMYYFEKRS-IAGOWNOFSA-N 2 1 359.522 0.619 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926028 721871547 /nfs/dbraw/zinc/87/15/47/721871547.db2.gz PYTANNMYYFEKRS-IAGOWNOFSA-N 2 1 359.522 0.619 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C)O1 ZINC001067712796 837474499 /nfs/dbraw/zinc/47/44/99/837474499.db2.gz NFKZEYNZRBGGDL-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C)O1 ZINC001067712796 837474503 /nfs/dbraw/zinc/47/45/03/837474503.db2.gz NFKZEYNZRBGGDL-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277350 837642620 /nfs/dbraw/zinc/64/26/20/837642620.db2.gz MZFOCLYEQPIBLH-ILXRZTDVSA-N 2 1 363.491 0.617 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070367450 837650058 /nfs/dbraw/zinc/65/00/58/837650058.db2.gz VSXQUIGDJYKNOS-NUJGCVRESA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC[NH+](C)CC3)n[nH]2)O1 ZINC001070575809 837659775 /nfs/dbraw/zinc/65/97/75/837659775.db2.gz PJHDEALZJLZHEO-UONOGXRCSA-N 2 1 350.467 0.592 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070867207 837685096 /nfs/dbraw/zinc/68/50/96/837685096.db2.gz ONEWLUYBWCMFBV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070867207 837685100 /nfs/dbraw/zinc/68/51/00/837685100.db2.gz ONEWLUYBWCMFBV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070867207 837685102 /nfs/dbraw/zinc/68/51/02/837685102.db2.gz ONEWLUYBWCMFBV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070867207 837685107 /nfs/dbraw/zinc/68/51/07/837685107.db2.gz ONEWLUYBWCMFBV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(=O)N(C)C)C3)CC[N@H+]1C ZINC001072755116 837743788 /nfs/dbraw/zinc/74/37/88/837743788.db2.gz UCGDNSARXKTXDR-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C3)CC[NH+]1C ZINC001072755116 837743794 /nfs/dbraw/zinc/74/37/94/837743794.db2.gz UCGDNSARXKTXDR-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)N(C)C)C3)CC[NH+]1C ZINC001072755116 837743798 /nfs/dbraw/zinc/74/37/98/837743798.db2.gz UCGDNSARXKTXDR-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001073063327 837754925 /nfs/dbraw/zinc/75/49/25/837754925.db2.gz OTZUNTJUKAQAKF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099324708 844023487 /nfs/dbraw/zinc/02/34/87/844023487.db2.gz AIOQPWTVKGBSIV-JHJVBQTASA-N 2 1 364.412 0.571 20 0 FCADMP CCN(C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001100344948 844051967 /nfs/dbraw/zinc/05/19/67/844051967.db2.gz KHVULRHUQXQIOT-ARAOSMHQSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001100345110 844052094 /nfs/dbraw/zinc/05/20/94/844052094.db2.gz PZFLJPAZRQNPKN-SJJHQCBESA-N 2 1 352.523 0.973 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177287 844090847 /nfs/dbraw/zinc/09/08/47/844090847.db2.gz YMIDJFHXXRPAFR-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177287 844090857 /nfs/dbraw/zinc/09/08/57/844090857.db2.gz YMIDJFHXXRPAFR-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177287 844090867 /nfs/dbraw/zinc/09/08/67/844090867.db2.gz YMIDJFHXXRPAFR-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186858 844097826 /nfs/dbraw/zinc/09/78/26/844097826.db2.gz HZAPXLZUWMIYAC-LMMKCTJWSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186858 844097839 /nfs/dbraw/zinc/09/78/39/844097839.db2.gz HZAPXLZUWMIYAC-LMMKCTJWSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186858 844097849 /nfs/dbraw/zinc/09/78/49/844097849.db2.gz HZAPXLZUWMIYAC-LMMKCTJWSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186858 844097859 /nfs/dbraw/zinc/09/78/59/844097859.db2.gz HZAPXLZUWMIYAC-LMMKCTJWSA-N 2 1 353.507 0.770 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230776 844112133 /nfs/dbraw/zinc/11/21/33/844112133.db2.gz IWWNHHZRYJBBEW-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230776 844112138 /nfs/dbraw/zinc/11/21/38/844112138.db2.gz IWWNHHZRYJBBEW-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230776 844112162 /nfs/dbraw/zinc/11/21/62/844112162.db2.gz IWWNHHZRYJBBEW-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000379845928 836049640 /nfs/dbraw/zinc/04/96/40/836049640.db2.gz FLAYQANRGWQTDL-QGZVFWFLSA-N 2 1 352.504 0.638 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257009 844122342 /nfs/dbraw/zinc/12/23/42/844122342.db2.gz CQCITNVSVXQDMY-NUJGCVRESA-N 2 1 359.486 0.456 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272583 844127533 /nfs/dbraw/zinc/12/75/33/844127533.db2.gz SNNHVPBCGNIFSP-AYBZRNKSSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352630 844155833 /nfs/dbraw/zinc/15/58/33/844155833.db2.gz IDSQJFWUSPNQKK-MDZRGWNJSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364294 844161764 /nfs/dbraw/zinc/16/17/64/844161764.db2.gz QUVCKLPCUGNCCI-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364294 844161771 /nfs/dbraw/zinc/16/17/71/844161771.db2.gz QUVCKLPCUGNCCI-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364294 844161776 /nfs/dbraw/zinc/16/17/76/844161776.db2.gz QUVCKLPCUGNCCI-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364294 844161784 /nfs/dbraw/zinc/16/17/84/844161784.db2.gz QUVCKLPCUGNCCI-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001101365998 844161969 /nfs/dbraw/zinc/16/19/69/844161969.db2.gz VRLQAMNJPBZKKZ-GJYPPUQNSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101398115 844173545 /nfs/dbraw/zinc/17/35/45/844173545.db2.gz YIRYRSNRNPCYQN-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC)C[C@@]2(C)C1)C(C)C ZINC001101396596 844173861 /nfs/dbraw/zinc/17/38/61/844173861.db2.gz BAFSQGVXDCRDNW-AYBZRNKSSA-N 2 1 352.523 0.879 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101400315 844174635 /nfs/dbraw/zinc/17/46/35/844174635.db2.gz QLNSBDJDVKEGOD-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101400315 844174639 /nfs/dbraw/zinc/17/46/39/844174639.db2.gz QLNSBDJDVKEGOD-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101400497 844174825 /nfs/dbraw/zinc/17/48/25/844174825.db2.gz YZYCEUCSEBWFOX-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402494 844175032 /nfs/dbraw/zinc/17/50/32/844175032.db2.gz LNDXQLCJVLOQMB-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430253 844183991 /nfs/dbraw/zinc/18/39/91/844183991.db2.gz WAWDYOKBLFGITD-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430253 844183996 /nfs/dbraw/zinc/18/39/96/844183996.db2.gz WAWDYOKBLFGITD-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430253 844184001 /nfs/dbraw/zinc/18/40/01/844184001.db2.gz WAWDYOKBLFGITD-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001060320837 836659023 /nfs/dbraw/zinc/65/90/23/836659023.db2.gz BWIFRIWWLACDHB-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001060320837 836659030 /nfs/dbraw/zinc/65/90/30/836659030.db2.gz BWIFRIWWLACDHB-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461505 844193659 /nfs/dbraw/zinc/19/36/59/844193659.db2.gz GALGQXJACXFBKS-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063130814 836752090 /nfs/dbraw/zinc/75/20/90/836752090.db2.gz MOBMBVJDFSAEJS-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063130814 836752097 /nfs/dbraw/zinc/75/20/97/836752097.db2.gz MOBMBVJDFSAEJS-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC2)CC[N@H+]1C ZINC001063365257 836765134 /nfs/dbraw/zinc/76/51/34/836765134.db2.gz OEYFUNMLNVDKDY-FVQBIDKESA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063497521 836772598 /nfs/dbraw/zinc/77/25/98/836772598.db2.gz UMTWTPMNSOHGMT-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063497521 836772606 /nfs/dbraw/zinc/77/26/06/836772606.db2.gz UMTWTPMNSOHGMT-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497521 836772615 /nfs/dbraw/zinc/77/26/15/836772615.db2.gz UMTWTPMNSOHGMT-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497521 836772627 /nfs/dbraw/zinc/77/26/27/836772627.db2.gz UMTWTPMNSOHGMT-HUUCEWRRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063721083 836783614 /nfs/dbraw/zinc/78/36/14/836783614.db2.gz DTNADZCBBMSYDP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063721083 836783624 /nfs/dbraw/zinc/78/36/24/836783624.db2.gz DTNADZCBBMSYDP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063721083 836783632 /nfs/dbraw/zinc/78/36/32/836783632.db2.gz DTNADZCBBMSYDP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815587 844279564 /nfs/dbraw/zinc/27/95/64/844279564.db2.gz LUCOKYSDFYARCF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101815587 844279574 /nfs/dbraw/zinc/27/95/74/844279574.db2.gz LUCOKYSDFYARCF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101815587 844279584 /nfs/dbraw/zinc/27/95/84/844279584.db2.gz LUCOKYSDFYARCF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418540 837998134 /nfs/dbraw/zinc/99/81/34/837998134.db2.gz COATZAOBIGCVGL-YESZJQIVSA-N 2 1 350.507 0.903 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001076588666 838022066 /nfs/dbraw/zinc/02/20/66/838022066.db2.gz AOLWVKVAZOKWEP-USXIJHARSA-N 2 1 364.515 0.939 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001076588666 838022078 /nfs/dbraw/zinc/02/20/78/838022078.db2.gz AOLWVKVAZOKWEP-USXIJHARSA-N 2 1 364.515 0.939 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001076588666 838022091 /nfs/dbraw/zinc/02/20/91/838022091.db2.gz AOLWVKVAZOKWEP-USXIJHARSA-N 2 1 364.515 0.939 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001076588666 838022104 /nfs/dbraw/zinc/02/21/04/838022104.db2.gz AOLWVKVAZOKWEP-USXIJHARSA-N 2 1 364.515 0.939 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC001077007153 838212262 /nfs/dbraw/zinc/21/22/62/838212262.db2.gz BAOYVOMXIWMISV-BRWVUGGUSA-N 2 1 364.515 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC001077007153 838212274 /nfs/dbraw/zinc/21/22/74/838212274.db2.gz BAOYVOMXIWMISV-BRWVUGGUSA-N 2 1 364.515 0.497 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077131561 838758210 /nfs/dbraw/zinc/75/82/10/838758210.db2.gz GERGEYNECADAIB-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077131561 838758214 /nfs/dbraw/zinc/75/82/14/838758214.db2.gz GERGEYNECADAIB-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077131561 838758217 /nfs/dbraw/zinc/75/82/17/838758217.db2.gz GERGEYNECADAIB-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219542 838823110 /nfs/dbraw/zinc/82/31/10/838823110.db2.gz UDVCIDQVXAXCPI-BRWVUGGUSA-N 2 1 351.491 0.450 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047711 844394281 /nfs/dbraw/zinc/39/42/81/844394281.db2.gz QWRKLCCJMIDGGK-QGPMSJSTSA-N 2 1 352.523 0.878 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077582860 839054585 /nfs/dbraw/zinc/05/45/85/839054585.db2.gz WEILAYUAFCMDPF-FVQBIDKESA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077582860 839054595 /nfs/dbraw/zinc/05/45/95/839054595.db2.gz WEILAYUAFCMDPF-FVQBIDKESA-N 2 1 351.447 0.543 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047604 844394771 /nfs/dbraw/zinc/39/47/71/844394771.db2.gz MUCUCBKUPLGQRD-KYJSFNMBSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047646 844394898 /nfs/dbraw/zinc/39/48/98/844394898.db2.gz OHETWIONLVMSMZ-FRFSOERESA-N 2 1 352.523 0.925 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051903 844397932 /nfs/dbraw/zinc/39/79/32/844397932.db2.gz SDDWHSVZEPIZMP-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051903 844397940 /nfs/dbraw/zinc/39/79/40/844397940.db2.gz SDDWHSVZEPIZMP-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051903 844397950 /nfs/dbraw/zinc/39/79/50/844397950.db2.gz SDDWHSVZEPIZMP-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059269 844399768 /nfs/dbraw/zinc/39/97/68/844399768.db2.gz IZXKIBHIZUKZJM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059269 844399775 /nfs/dbraw/zinc/39/97/75/844399775.db2.gz IZXKIBHIZUKZJM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059269 844399781 /nfs/dbraw/zinc/39/97/81/844399781.db2.gz IZXKIBHIZUKZJM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059269 844399789 /nfs/dbraw/zinc/39/97/89/844399789.db2.gz IZXKIBHIZUKZJM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678940 839105901 /nfs/dbraw/zinc/10/59/01/839105901.db2.gz BYJBTGJGBVRUKH-KBAYOESNSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678940 839105909 /nfs/dbraw/zinc/10/59/09/839105909.db2.gz BYJBTGJGBVRUKH-KBAYOESNSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678940 839105914 /nfs/dbraw/zinc/10/59/14/839105914.db2.gz BYJBTGJGBVRUKH-KBAYOESNSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102071078 844404782 /nfs/dbraw/zinc/40/47/82/844404782.db2.gz BZYBTKIYRJDYOI-OAGGEKHMSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077923801 839234607 /nfs/dbraw/zinc/23/46/07/839234607.db2.gz FGNSHTLYRZVOJY-CGTJXYLNSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001078005389 839285962 /nfs/dbraw/zinc/28/59/62/839285962.db2.gz BVNNYFAPYVDFNC-RRFJBIMHSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001078005389 839285972 /nfs/dbraw/zinc/28/59/72/839285972.db2.gz BVNNYFAPYVDFNC-RRFJBIMHSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001078005389 839285985 /nfs/dbraw/zinc/28/59/85/839285985.db2.gz BVNNYFAPYVDFNC-RRFJBIMHSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001078005389 839285992 /nfs/dbraw/zinc/28/59/92/839285992.db2.gz BVNNYFAPYVDFNC-RRFJBIMHSA-N 2 1 352.504 0.763 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175892 839382448 /nfs/dbraw/zinc/38/24/48/839382448.db2.gz RCAXVQXKZUWARW-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175892 839382463 /nfs/dbraw/zinc/38/24/63/839382463.db2.gz RCAXVQXKZUWARW-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175892 839382477 /nfs/dbraw/zinc/38/24/77/839382477.db2.gz RCAXVQXKZUWARW-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078175892 839382490 /nfs/dbraw/zinc/38/24/90/839382490.db2.gz RCAXVQXKZUWARW-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209959 839405239 /nfs/dbraw/zinc/40/52/39/839405239.db2.gz OSNAENSSWRFLEF-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209959 839405243 /nfs/dbraw/zinc/40/52/43/839405243.db2.gz OSNAENSSWRFLEF-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209959 839405245 /nfs/dbraw/zinc/40/52/45/839405245.db2.gz OSNAENSSWRFLEF-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209959 839405248 /nfs/dbraw/zinc/40/52/48/839405248.db2.gz OSNAENSSWRFLEF-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2O)o1 ZINC001078261832 839433097 /nfs/dbraw/zinc/43/30/97/839433097.db2.gz HVVVNXOZUXLOEG-NUEKZKHPSA-N 2 1 353.463 0.931 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270147 839503109 /nfs/dbraw/zinc/50/31/09/839503109.db2.gz DJITYNQBKZYCQV-IXDOHACOSA-N 2 1 351.491 0.260 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079806770 839598340 /nfs/dbraw/zinc/59/83/40/839598340.db2.gz WVCSVJGZDOFWQH-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079806770 839598351 /nfs/dbraw/zinc/59/83/51/839598351.db2.gz WVCSVJGZDOFWQH-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079806770 839598357 /nfs/dbraw/zinc/59/83/57/839598357.db2.gz WVCSVJGZDOFWQH-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CCN(C(=O)C[NH+](C)C(C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079930243 839626980 /nfs/dbraw/zinc/62/69/80/839626980.db2.gz GWXKIGUCZYHNDQ-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP CCN(C(=O)C[NH+](C)C(C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079930243 839626985 /nfs/dbraw/zinc/62/69/85/839626985.db2.gz GWXKIGUCZYHNDQ-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP CCN(C(=O)C[N@H+](C)C(C)C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079930243 839626989 /nfs/dbraw/zinc/62/69/89/839626989.db2.gz GWXKIGUCZYHNDQ-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079930243 839626994 /nfs/dbraw/zinc/62/69/94/839626994.db2.gz GWXKIGUCZYHNDQ-GDBMZVCRSA-N 2 1 354.495 0.105 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443067 839725101 /nfs/dbraw/zinc/72/51/01/839725101.db2.gz YHQFWOYLABQSBK-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443067 839725109 /nfs/dbraw/zinc/72/51/09/839725109.db2.gz YHQFWOYLABQSBK-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080443067 839725115 /nfs/dbraw/zinc/72/51/15/839725115.db2.gz YHQFWOYLABQSBK-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080443067 839725121 /nfs/dbraw/zinc/72/51/21/839725121.db2.gz YHQFWOYLABQSBK-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370134 844477541 /nfs/dbraw/zinc/47/75/41/844477541.db2.gz SAJHJNPVTHXJSM-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370134 844477544 /nfs/dbraw/zinc/47/75/44/844477544.db2.gz SAJHJNPVTHXJSM-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370134 844477545 /nfs/dbraw/zinc/47/75/45/844477545.db2.gz SAJHJNPVTHXJSM-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369843 844477620 /nfs/dbraw/zinc/47/76/20/844477620.db2.gz IHXCOAAFIYJHHI-GVDBMIGSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369843 844477622 /nfs/dbraw/zinc/47/76/22/844477622.db2.gz IHXCOAAFIYJHHI-GVDBMIGSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369843 844477626 /nfs/dbraw/zinc/47/76/26/844477626.db2.gz IHXCOAAFIYJHHI-GVDBMIGSSA-N 2 1 352.523 0.879 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001080998772 839857729 /nfs/dbraw/zinc/85/77/29/839857729.db2.gz MWRYVXCOGCWVFD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001080998772 839857735 /nfs/dbraw/zinc/85/77/35/839857735.db2.gz MWRYVXCOGCWVFD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001080998772 839857741 /nfs/dbraw/zinc/85/77/41/839857741.db2.gz MWRYVXCOGCWVFD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375748 844481024 /nfs/dbraw/zinc/48/10/24/844481024.db2.gz ZRJVDLZXSPLQCW-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375748 844481029 /nfs/dbraw/zinc/48/10/29/844481029.db2.gz ZRJVDLZXSPLQCW-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375748 844481034 /nfs/dbraw/zinc/48/10/34/844481034.db2.gz ZRJVDLZXSPLQCW-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670308 839994371 /nfs/dbraw/zinc/99/43/71/839994371.db2.gz NLPAOEOLTLPETA-KZNAEPCWSA-N 2 1 351.491 0.713 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796512 840034579 /nfs/dbraw/zinc/03/45/79/840034579.db2.gz YUISBDUTEWAMAN-IXDOHACOSA-N 2 1 355.479 0.092 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796512 840034583 /nfs/dbraw/zinc/03/45/83/840034583.db2.gz YUISBDUTEWAMAN-IXDOHACOSA-N 2 1 355.479 0.092 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796512 840034589 /nfs/dbraw/zinc/03/45/89/840034589.db2.gz YUISBDUTEWAMAN-IXDOHACOSA-N 2 1 355.479 0.092 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796512 840034596 /nfs/dbraw/zinc/03/45/96/840034596.db2.gz YUISBDUTEWAMAN-IXDOHACOSA-N 2 1 355.479 0.092 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433724 844497519 /nfs/dbraw/zinc/49/75/19/844497519.db2.gz DKRVFNWDLYAHFG-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102473985 844515605 /nfs/dbraw/zinc/51/56/05/844515605.db2.gz ZKWUAIUBNIHGFI-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082192043 840231553 /nfs/dbraw/zinc/23/15/53/840231553.db2.gz RQHUCKCLSMHYCV-BZUAXINKSA-N 2 1 350.463 0.858 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082192043 840231559 /nfs/dbraw/zinc/23/15/59/840231559.db2.gz RQHUCKCLSMHYCV-BZUAXINKSA-N 2 1 350.463 0.858 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486575 844522416 /nfs/dbraw/zinc/52/24/16/844522416.db2.gz LVCAHDTWAVDOEH-IIAWOOMASA-N 2 1 354.495 0.045 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368651 840355619 /nfs/dbraw/zinc/35/56/19/840355619.db2.gz JQPPNAGDJGFZHS-FVQBIDKESA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368651 840355628 /nfs/dbraw/zinc/35/56/28/840355628.db2.gz JQPPNAGDJGFZHS-FVQBIDKESA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368651 840355637 /nfs/dbraw/zinc/35/56/37/840355637.db2.gz JQPPNAGDJGFZHS-FVQBIDKESA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368651 840355646 /nfs/dbraw/zinc/35/56/46/840355646.db2.gz JQPPNAGDJGFZHS-FVQBIDKESA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371475 840360739 /nfs/dbraw/zinc/36/07/39/840360739.db2.gz KXOSRFSGGFSLJZ-GVDBMIGSSA-N 2 1 350.463 0.966 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371475 840360748 /nfs/dbraw/zinc/36/07/48/840360748.db2.gz KXOSRFSGGFSLJZ-GVDBMIGSSA-N 2 1 350.463 0.966 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102497157 844530951 /nfs/dbraw/zinc/53/09/51/844530951.db2.gz DEYMGBKRNLMQTM-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102497157 844530952 /nfs/dbraw/zinc/53/09/52/844530952.db2.gz DEYMGBKRNLMQTM-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102497157 844530955 /nfs/dbraw/zinc/53/09/55/844530955.db2.gz DEYMGBKRNLMQTM-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377331 840366038 /nfs/dbraw/zinc/36/60/38/840366038.db2.gz MJIUEGXKBRWDRK-BRWVUGGUSA-N 2 1 367.515 0.827 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377331 840366047 /nfs/dbraw/zinc/36/60/47/840366047.db2.gz MJIUEGXKBRWDRK-BRWVUGGUSA-N 2 1 367.515 0.827 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377331 840366058 /nfs/dbraw/zinc/36/60/58/840366058.db2.gz MJIUEGXKBRWDRK-BRWVUGGUSA-N 2 1 367.515 0.827 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2OC)C1 ZINC001082377331 840366065 /nfs/dbraw/zinc/36/60/65/840366065.db2.gz MJIUEGXKBRWDRK-BRWVUGGUSA-N 2 1 367.515 0.827 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082448063 840415465 /nfs/dbraw/zinc/41/54/65/840415465.db2.gz BVNQODSDDHKHKR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082458222 840420466 /nfs/dbraw/zinc/42/04/66/840420466.db2.gz CNZRBWIGXFEDMN-DAXOMENPSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082458222 840420471 /nfs/dbraw/zinc/42/04/71/840420471.db2.gz CNZRBWIGXFEDMN-DAXOMENPSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459054 840421563 /nfs/dbraw/zinc/42/15/63/840421563.db2.gz JNJLCWJZIDZPRW-YUELXQCFSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459054 840421568 /nfs/dbraw/zinc/42/15/68/840421568.db2.gz JNJLCWJZIDZPRW-YUELXQCFSA-N 2 1 352.504 0.761 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082520594 840446769 /nfs/dbraw/zinc/44/67/69/840446769.db2.gz GZVHTEDDVRJKKR-KBUPBQIOSA-N 2 1 352.458 0.524 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082520594 840446777 /nfs/dbraw/zinc/44/67/77/840446777.db2.gz GZVHTEDDVRJKKR-KBUPBQIOSA-N 2 1 352.458 0.524 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082557240 840463443 /nfs/dbraw/zinc/46/34/43/840463443.db2.gz UFSMGRQLLDWJCR-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082561580 840466547 /nfs/dbraw/zinc/46/65/47/840466547.db2.gz CEZLXLAFSVZXJR-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082562222 840466599 /nfs/dbraw/zinc/46/65/99/840466599.db2.gz YJQNROSVVAZOTJ-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102511105 844542099 /nfs/dbraw/zinc/54/20/99/844542099.db2.gz JMLBWBQNDFTLBJ-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102511105 844542103 /nfs/dbraw/zinc/54/21/03/844542103.db2.gz JMLBWBQNDFTLBJ-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1C ZINC001082574948 840472583 /nfs/dbraw/zinc/47/25/83/840472583.db2.gz BLZFSXPSHIIHMU-CPUCHLNUSA-N 2 1 350.511 0.900 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082596275 840481782 /nfs/dbraw/zinc/48/17/82/840481782.db2.gz CJDXBQXKHHJZOG-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511502 844543371 /nfs/dbraw/zinc/54/33/71/844543371.db2.gz ZMDPOBAGMSCHAM-HUUCEWRRSA-N 2 1 356.511 0.163 20 0 FCADMP Cc1noc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513764 844544404 /nfs/dbraw/zinc/54/44/04/844544404.db2.gz AHZOZCQRTYQRAR-VNHYZAJKSA-N 2 1 353.467 0.701 20 0 FCADMP Cc1noc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513764 844544410 /nfs/dbraw/zinc/54/44/10/844544410.db2.gz AHZOZCQRTYQRAR-VNHYZAJKSA-N 2 1 353.467 0.701 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514026 844545729 /nfs/dbraw/zinc/54/57/29/844545729.db2.gz JTNXLQMIELVIDF-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514026 844545736 /nfs/dbraw/zinc/54/57/36/844545736.db2.gz JTNXLQMIELVIDF-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514026 844545743 /nfs/dbraw/zinc/54/57/43/844545743.db2.gz JTNXLQMIELVIDF-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514404 844546352 /nfs/dbraw/zinc/54/63/52/844546352.db2.gz WGSOBUFZUHPQBV-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514404 844546358 /nfs/dbraw/zinc/54/63/58/844546358.db2.gz WGSOBUFZUHPQBV-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514404 844546363 /nfs/dbraw/zinc/54/63/63/844546363.db2.gz WGSOBUFZUHPQBV-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515372 844546416 /nfs/dbraw/zinc/54/64/16/844546416.db2.gz QIIWTBXOLVUYBC-HZPDHXFCSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514849 844546507 /nfs/dbraw/zinc/54/65/07/844546507.db2.gz QFSCPOOZJNSOJC-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514849 844546508 /nfs/dbraw/zinc/54/65/08/844546508.db2.gz QFSCPOOZJNSOJC-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514849 844546511 /nfs/dbraw/zinc/54/65/11/844546511.db2.gz QFSCPOOZJNSOJC-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102514406 844546662 /nfs/dbraw/zinc/54/66/62/844546662.db2.gz WHMNBRKJOQWXDJ-ZIAGYGMSSA-N 2 1 369.428 0.828 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520887 844550095 /nfs/dbraw/zinc/55/00/95/844550095.db2.gz GKABHWUTYOEDHW-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102524370 844552186 /nfs/dbraw/zinc/55/21/86/844552186.db2.gz BVLKBQCZDRHKHB-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102524370 844552193 /nfs/dbraw/zinc/55/21/93/844552193.db2.gz BVLKBQCZDRHKHB-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102524370 844552197 /nfs/dbraw/zinc/55/21/97/844552197.db2.gz BVLKBQCZDRHKHB-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCOCC3)C2)C1 ZINC001082934795 840614760 /nfs/dbraw/zinc/61/47/60/840614760.db2.gz YNQHTLKKSZDOBV-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCOCC3)C2)C1 ZINC001082934795 840614767 /nfs/dbraw/zinc/61/47/67/840614767.db2.gz YNQHTLKKSZDOBV-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083082295 840695859 /nfs/dbraw/zinc/69/58/59/840695859.db2.gz RIOMLUZISBYJKE-RYQLBKOJSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083082295 840695863 /nfs/dbraw/zinc/69/58/63/840695863.db2.gz RIOMLUZISBYJKE-RYQLBKOJSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083082295 840695867 /nfs/dbraw/zinc/69/58/67/840695867.db2.gz RIOMLUZISBYJKE-RYQLBKOJSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083082295 840695870 /nfs/dbraw/zinc/69/58/70/840695870.db2.gz RIOMLUZISBYJKE-RYQLBKOJSA-N 2 1 351.491 0.545 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)CC[N@@H+]1C ZINC001083085701 840697949 /nfs/dbraw/zinc/69/79/49/840697949.db2.gz GUVNOUTZALGCEY-MXASKKJJSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)CC[N@H+]1C ZINC001083085701 840697950 /nfs/dbraw/zinc/69/79/50/840697950.db2.gz GUVNOUTZALGCEY-MXASKKJJSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)CC[NH+]1C ZINC001083085701 840697952 /nfs/dbraw/zinc/69/79/52/840697952.db2.gz GUVNOUTZALGCEY-MXASKKJJSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)CC[NH+]1C ZINC001083085701 840697953 /nfs/dbraw/zinc/69/79/53/840697953.db2.gz GUVNOUTZALGCEY-MXASKKJJSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)CC[N@H+]1C ZINC001083086021 840698361 /nfs/dbraw/zinc/69/83/61/840698361.db2.gz ZLXVQRAJOVYUBR-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)CC[NH+]1C ZINC001083086021 840698366 /nfs/dbraw/zinc/69/83/66/840698366.db2.gz ZLXVQRAJOVYUBR-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)CC[NH+]1C ZINC001083086021 840698373 /nfs/dbraw/zinc/69/83/73/840698373.db2.gz ZLXVQRAJOVYUBR-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106603 840715300 /nfs/dbraw/zinc/71/53/00/840715300.db2.gz LWKOXRVFBCITHZ-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106603 840715309 /nfs/dbraw/zinc/71/53/09/840715309.db2.gz LWKOXRVFBCITHZ-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106603 840715318 /nfs/dbraw/zinc/71/53/18/840715318.db2.gz LWKOXRVFBCITHZ-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001083169002 840767489 /nfs/dbraw/zinc/76/74/89/840767489.db2.gz YBEVXNHVEKQWMY-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083169002 840767499 /nfs/dbraw/zinc/76/74/99/840767499.db2.gz YBEVXNHVEKQWMY-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083169002 840767510 /nfs/dbraw/zinc/76/75/10/840767510.db2.gz YBEVXNHVEKQWMY-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578144 844572850 /nfs/dbraw/zinc/57/28/50/844572850.db2.gz NRYBXFXGOHWZLA-BZUAXINKSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578144 844572852 /nfs/dbraw/zinc/57/28/52/844572852.db2.gz NRYBXFXGOHWZLA-BZUAXINKSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578144 844572856 /nfs/dbraw/zinc/57/28/56/844572856.db2.gz NRYBXFXGOHWZLA-BZUAXINKSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579220 844572895 /nfs/dbraw/zinc/57/28/95/844572895.db2.gz NXKFJJVMVMZJGH-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083182911 840780511 /nfs/dbraw/zinc/78/05/11/840780511.db2.gz CTJUNLNDTXVUSQ-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274892 840855497 /nfs/dbraw/zinc/85/54/97/840855497.db2.gz FAWMUYJXQAVYSB-HRCADAONSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274892 840855508 /nfs/dbraw/zinc/85/55/08/840855508.db2.gz FAWMUYJXQAVYSB-HRCADAONSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274892 840855518 /nfs/dbraw/zinc/85/55/18/840855518.db2.gz FAWMUYJXQAVYSB-HRCADAONSA-N 2 1 364.515 0.857 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CCC1 ZINC001083274818 840856295 /nfs/dbraw/zinc/85/62/95/840856295.db2.gz AWEBJJQDQAWBJF-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102601081 844592513 /nfs/dbraw/zinc/59/25/13/844592513.db2.gz JKCCSSYNXDFLOG-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102601081 844592516 /nfs/dbraw/zinc/59/25/16/844592516.db2.gz JKCCSSYNXDFLOG-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102601081 844592519 /nfs/dbraw/zinc/59/25/19/844592519.db2.gz JKCCSSYNXDFLOG-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601590 841221048 /nfs/dbraw/zinc/22/10/48/841221048.db2.gz CORBAFRWSOJHOH-ZACQAIPSSA-N 2 1 351.491 0.735 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602197 841222468 /nfs/dbraw/zinc/22/24/68/841222468.db2.gz IYCMNQDIWXUVIV-CABCVRRESA-N 2 1 364.515 0.784 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602197 841222475 /nfs/dbraw/zinc/22/24/75/841222475.db2.gz IYCMNQDIWXUVIV-CABCVRRESA-N 2 1 364.515 0.784 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001083696376 841326846 /nfs/dbraw/zinc/32/68/46/841326846.db2.gz XOAIRSAMUXKYTB-BACDZXNISA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723584 841359945 /nfs/dbraw/zinc/35/99/45/841359945.db2.gz QNNINYMOVQHTQU-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723584 841359957 /nfs/dbraw/zinc/35/99/57/841359957.db2.gz QNNINYMOVQHTQU-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723584 841359969 /nfs/dbraw/zinc/35/99/69/841359969.db2.gz QNNINYMOVQHTQU-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723584 841359982 /nfs/dbraw/zinc/35/99/82/841359982.db2.gz QNNINYMOVQHTQU-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1COC(C)(C)O1)C2 ZINC001275812757 861203708 /nfs/dbraw/zinc/20/37/08/861203708.db2.gz HZDODYZSGCYHMC-YJBOKZPZSA-N 2 1 355.479 0.250 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083832297 841475562 /nfs/dbraw/zinc/47/55/62/841475562.db2.gz AQSCZVCHIIWVHC-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083832297 841475569 /nfs/dbraw/zinc/47/55/69/841475569.db2.gz AQSCZVCHIIWVHC-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083832297 841475575 /nfs/dbraw/zinc/47/55/75/841475575.db2.gz AQSCZVCHIIWVHC-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083832297 841475581 /nfs/dbraw/zinc/47/55/81/841475581.db2.gz AQSCZVCHIIWVHC-SQNIBIBYSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083833319 841478701 /nfs/dbraw/zinc/47/87/01/841478701.db2.gz UVDRMRFIUGIOHG-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083833319 841478709 /nfs/dbraw/zinc/47/87/09/841478709.db2.gz UVDRMRFIUGIOHG-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083833319 841478716 /nfs/dbraw/zinc/47/87/16/841478716.db2.gz UVDRMRFIUGIOHG-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cs1 ZINC001083833806 841479573 /nfs/dbraw/zinc/47/95/73/841479573.db2.gz WMSPXNPBTLUUEO-SJORKVTESA-N 2 1 366.531 0.887 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cs1 ZINC001083833806 841479579 /nfs/dbraw/zinc/47/95/79/841479579.db2.gz WMSPXNPBTLUUEO-SJORKVTESA-N 2 1 366.531 0.887 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001275834190 861219482 /nfs/dbraw/zinc/21/94/82/861219482.db2.gz ZOMLHWSBXOEVIE-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001275833443 861219784 /nfs/dbraw/zinc/21/97/84/861219784.db2.gz GSWSITRRIIGVGF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078901 841689222 /nfs/dbraw/zinc/68/92/22/841689222.db2.gz MIWLKGMNSJBHDR-PMPSAXMXSA-N 2 1 353.488 0.173 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078901 841689232 /nfs/dbraw/zinc/68/92/32/841689232.db2.gz MIWLKGMNSJBHDR-PMPSAXMXSA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078901 841689241 /nfs/dbraw/zinc/68/92/41/841689241.db2.gz MIWLKGMNSJBHDR-PMPSAXMXSA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001084078901 841689246 /nfs/dbraw/zinc/68/92/46/841689246.db2.gz MIWLKGMNSJBHDR-PMPSAXMXSA-N 2 1 353.488 0.173 20 0 FCADMP COCCOCN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877601 861240847 /nfs/dbraw/zinc/24/08/47/861240847.db2.gz DJQZXSLVHQMGKL-FUHWJXTLSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877601 861240858 /nfs/dbraw/zinc/24/08/58/861240858.db2.gz DJQZXSLVHQMGKL-FUHWJXTLSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877601 861240869 /nfs/dbraw/zinc/24/08/69/861240869.db2.gz DJQZXSLVHQMGKL-FUHWJXTLSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877601 861240880 /nfs/dbraw/zinc/24/08/80/861240880.db2.gz DJQZXSLVHQMGKL-FUHWJXTLSA-N 2 1 355.479 0.252 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001275878882 861243864 /nfs/dbraw/zinc/24/38/64/861243864.db2.gz MPWMHDNAYCDSLI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878882 861243880 /nfs/dbraw/zinc/24/38/80/861243880.db2.gz MPWMHDNAYCDSLI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878882 861243897 /nfs/dbraw/zinc/24/38/97/861243897.db2.gz MPWMHDNAYCDSLI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001275878882 861243911 /nfs/dbraw/zinc/24/39/11/861243911.db2.gz MPWMHDNAYCDSLI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001275878882 861243926 /nfs/dbraw/zinc/24/39/26/861243926.db2.gz MPWMHDNAYCDSLI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941732 841962126 /nfs/dbraw/zinc/96/21/26/841962126.db2.gz ZPLOVMXXWJQMGX-ZACQAIPSSA-N 2 1 369.531 0.296 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941732 841962132 /nfs/dbraw/zinc/96/21/32/841962132.db2.gz ZPLOVMXXWJQMGX-ZACQAIPSSA-N 2 1 369.531 0.296 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001086875190 842186527 /nfs/dbraw/zinc/18/65/27/842186527.db2.gz JWFDDXRDDURJJW-MELADBBJSA-N 2 1 350.467 0.462 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086875190 842186532 /nfs/dbraw/zinc/18/65/32/842186532.db2.gz JWFDDXRDDURJJW-MELADBBJSA-N 2 1 350.467 0.462 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087035048 842232561 /nfs/dbraw/zinc/23/25/61/842232561.db2.gz JPRQSNLWEWFZRE-QLFBSQMISA-N 2 1 350.467 0.160 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087100707 842288990 /nfs/dbraw/zinc/28/89/90/842288990.db2.gz AGOSOKMKQRJVHG-UKRRQHHQSA-N 2 1 353.492 0.587 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087100351 842289187 /nfs/dbraw/zinc/28/91/87/842289187.db2.gz PSVFCOLHXHAEHY-RBSFLKMASA-N 2 1 367.519 0.751 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001087828855 842442720 /nfs/dbraw/zinc/44/27/20/842442720.db2.gz XJNGZZRFGQZDFY-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001087828855 842442722 /nfs/dbraw/zinc/44/27/22/842442722.db2.gz XJNGZZRFGQZDFY-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001087828855 842442723 /nfs/dbraw/zinc/44/27/23/842442723.db2.gz XJNGZZRFGQZDFY-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001087828855 842442724 /nfs/dbraw/zinc/44/27/24/842442724.db2.gz XJNGZZRFGQZDFY-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088003030 842498495 /nfs/dbraw/zinc/49/84/95/842498495.db2.gz FWFDPXIJDXEMQV-PMPSAXMXSA-N 2 1 359.536 0.398 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1)[NH+](C)C ZINC001088003030 842498501 /nfs/dbraw/zinc/49/85/01/842498501.db2.gz FWFDPXIJDXEMQV-PMPSAXMXSA-N 2 1 359.536 0.398 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129603 842538749 /nfs/dbraw/zinc/53/87/49/842538749.db2.gz WMWHQUCGXZCALO-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212845 842562697 /nfs/dbraw/zinc/56/26/97/842562697.db2.gz VWIIISAKRLTDAJ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212845 842562699 /nfs/dbraw/zinc/56/26/99/842562699.db2.gz VWIIISAKRLTDAJ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212845 842562703 /nfs/dbraw/zinc/56/27/03/842562703.db2.gz VWIIISAKRLTDAJ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088212845 842562709 /nfs/dbraw/zinc/56/27/09/842562709.db2.gz VWIIISAKRLTDAJ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001088317830 842568743 /nfs/dbraw/zinc/56/87/43/842568743.db2.gz PLIQJZYBPPHKJY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCCN1CCCC1=O ZINC001088836296 842690880 /nfs/dbraw/zinc/69/08/80/842690880.db2.gz OPFGPABXUKQQOU-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cncc(F)c3)C2)O1 ZINC001091096226 842960316 /nfs/dbraw/zinc/96/03/16/842960316.db2.gz NVKKRRQZDCTPJC-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cncc(F)c3)C2)O1 ZINC001091096226 842960326 /nfs/dbraw/zinc/96/03/26/842960326.db2.gz NVKKRRQZDCTPJC-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001091097627 842961882 /nfs/dbraw/zinc/96/18/82/842961882.db2.gz UHKCWCSZTRDGGP-FKFRUQKQSA-N 2 1 369.897 0.740 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001091097627 842961888 /nfs/dbraw/zinc/96/18/88/842961888.db2.gz UHKCWCSZTRDGGP-FKFRUQKQSA-N 2 1 369.897 0.740 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001091784057 843093590 /nfs/dbraw/zinc/09/35/90/843093590.db2.gz NWDWLTSFQWOEBS-APWZRJJASA-N 2 1 353.507 0.508 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910421 843122614 /nfs/dbraw/zinc/12/26/14/843122614.db2.gz WZVCKIVUZMODPD-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070858 843153307 /nfs/dbraw/zinc/15/33/07/843153307.db2.gz AVXFYWWXJGLLMN-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071472 843153445 /nfs/dbraw/zinc/15/34/45/843153445.db2.gz XOUWZMZIORAIRS-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071472 843153449 /nfs/dbraw/zinc/15/34/49/843153449.db2.gz XOUWZMZIORAIRS-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071472 843153454 /nfs/dbraw/zinc/15/34/54/843153454.db2.gz XOUWZMZIORAIRS-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157682 843166205 /nfs/dbraw/zinc/16/62/05/843166205.db2.gz LHDONRDIIZVMQG-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504916 843222188 /nfs/dbraw/zinc/22/21/88/843222188.db2.gz DAXCGWNCEHEVSS-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504916 843222192 /nfs/dbraw/zinc/22/21/92/843222192.db2.gz DAXCGWNCEHEVSS-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504916 843222213 /nfs/dbraw/zinc/22/22/13/843222213.db2.gz DAXCGWNCEHEVSS-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523373 843228422 /nfs/dbraw/zinc/22/84/22/843228422.db2.gz IAZMIWQTANSATP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523373 843228432 /nfs/dbraw/zinc/22/84/32/843228432.db2.gz IAZMIWQTANSATP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523373 843228447 /nfs/dbraw/zinc/22/84/47/843228447.db2.gz IAZMIWQTANSATP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523373 843228461 /nfs/dbraw/zinc/22/84/61/843228461.db2.gz IAZMIWQTANSATP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001092650834 843266311 /nfs/dbraw/zinc/26/63/11/843266311.db2.gz UAOJXRNVQIUOPB-YUELXQCFSA-N 2 1 364.515 0.996 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658456 843268851 /nfs/dbraw/zinc/26/88/51/843268851.db2.gz VWOQABCEGFPQLA-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658456 843268859 /nfs/dbraw/zinc/26/88/59/843268859.db2.gz VWOQABCEGFPQLA-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658456 843268872 /nfs/dbraw/zinc/26/88/72/843268872.db2.gz VWOQABCEGFPQLA-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672250 843272008 /nfs/dbraw/zinc/27/20/08/843272008.db2.gz XDKOQHKGBWVSHR-BRWVUGGUSA-N 2 1 352.523 0.737 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672250 843272021 /nfs/dbraw/zinc/27/20/21/843272021.db2.gz XDKOQHKGBWVSHR-BRWVUGGUSA-N 2 1 352.523 0.737 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672250 843272032 /nfs/dbraw/zinc/27/20/32/843272032.db2.gz XDKOQHKGBWVSHR-BRWVUGGUSA-N 2 1 352.523 0.737 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677126 843275100 /nfs/dbraw/zinc/27/51/00/843275100.db2.gz YZKVIEQYZGSKSZ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677126 843275105 /nfs/dbraw/zinc/27/51/05/843275105.db2.gz YZKVIEQYZGSKSZ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092677126 843275115 /nfs/dbraw/zinc/27/51/15/843275115.db2.gz YZKVIEQYZGSKSZ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001276309345 861405863 /nfs/dbraw/zinc/40/58/63/861405863.db2.gz WLQNBYQFRZWTKW-KZNAEPCWSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936700 843348628 /nfs/dbraw/zinc/34/86/28/843348628.db2.gz HMEYGJCGRYQRCD-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097519 843387600 /nfs/dbraw/zinc/38/76/00/843387600.db2.gz GRJONPSTXAWCDY-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690755 843455964 /nfs/dbraw/zinc/45/59/64/843455964.db2.gz DVAOQTFJUMAENI-BNOWGMLFSA-N 2 1 353.492 0.361 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690755 843455966 /nfs/dbraw/zinc/45/59/66/843455966.db2.gz DVAOQTFJUMAENI-BNOWGMLFSA-N 2 1 353.492 0.361 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)O1 ZINC001097324266 843859166 /nfs/dbraw/zinc/85/91/66/843859166.db2.gz SWCOOTYJBJJVRS-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)O1 ZINC001097324266 843859174 /nfs/dbraw/zinc/85/91/74/843859174.db2.gz SWCOOTYJBJJVRS-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)O1 ZINC001097324266 843859184 /nfs/dbraw/zinc/85/91/84/843859184.db2.gz SWCOOTYJBJJVRS-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)O1 ZINC001097324266 843859191 /nfs/dbraw/zinc/85/91/91/843859191.db2.gz SWCOOTYJBJJVRS-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCF)nn3)C2)CC[N@H+]1C ZINC001098673598 843928292 /nfs/dbraw/zinc/92/82/92/843928292.db2.gz RXMZNPWEMKLTNE-VNQPRFMTSA-N 2 1 352.458 0.841 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C)C2 ZINC001098835000 843937856 /nfs/dbraw/zinc/93/78/56/843937856.db2.gz GGEAPNVYCYPLIC-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C)C2 ZINC001098835000 843937859 /nfs/dbraw/zinc/93/78/59/843937859.db2.gz GGEAPNVYCYPLIC-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001098835000 843937863 /nfs/dbraw/zinc/93/78/63/843937863.db2.gz GGEAPNVYCYPLIC-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001098835000 843937865 /nfs/dbraw/zinc/93/78/65/843937865.db2.gz GGEAPNVYCYPLIC-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010927 843955807 /nfs/dbraw/zinc/95/58/07/843955807.db2.gz QCILMCOZLMCYPY-ALKREAHSSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001099262265 843996038 /nfs/dbraw/zinc/99/60/38/843996038.db2.gz FZPWJZANOIUWEZ-FRRDWIJNSA-N 2 1 362.396 0.338 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001099262265 843996041 /nfs/dbraw/zinc/99/60/41/843996041.db2.gz FZPWJZANOIUWEZ-FRRDWIJNSA-N 2 1 362.396 0.338 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F)C(N)=O ZINC001099274704 844000417 /nfs/dbraw/zinc/00/04/17/844000417.db2.gz RZBPLSBPCAUVAG-QJPTWQEYSA-N 2 1 362.396 0.468 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819400 844653008 /nfs/dbraw/zinc/65/30/08/844653008.db2.gz SJUMMLCMDCUZGJ-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819400 844653014 /nfs/dbraw/zinc/65/30/14/844653014.db2.gz SJUMMLCMDCUZGJ-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819400 844653019 /nfs/dbraw/zinc/65/30/19/844653019.db2.gz SJUMMLCMDCUZGJ-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819400 844653022 /nfs/dbraw/zinc/65/30/22/844653022.db2.gz SJUMMLCMDCUZGJ-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)CC[N@H+]1C ZINC001103005226 844682901 /nfs/dbraw/zinc/68/29/01/844682901.db2.gz XWYYKQWCEYSTEJ-ZJPYXAASSA-N 2 1 355.523 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CC[NH+]1C ZINC001103005226 844682908 /nfs/dbraw/zinc/68/29/08/844682908.db2.gz XWYYKQWCEYSTEJ-ZJPYXAASSA-N 2 1 355.523 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)CC[NH+]1C ZINC001103005226 844682916 /nfs/dbraw/zinc/68/29/16/844682916.db2.gz XWYYKQWCEYSTEJ-ZJPYXAASSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090556 844698677 /nfs/dbraw/zinc/69/86/77/844698677.db2.gz YFCIUMULBVVEFA-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090556 844698678 /nfs/dbraw/zinc/69/86/78/844698678.db2.gz YFCIUMULBVVEFA-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090556 844698679 /nfs/dbraw/zinc/69/86/79/844698679.db2.gz YFCIUMULBVVEFA-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103088189 844699161 /nfs/dbraw/zinc/69/91/61/844699161.db2.gz XBDXJFINVVBQRH-DDUZABMNSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103139889 844707112 /nfs/dbraw/zinc/70/71/12/844707112.db2.gz COFOJUGQOLFBKD-MGPQQGTHSA-N 2 1 352.483 0.023 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185939 844718716 /nfs/dbraw/zinc/71/87/16/844718716.db2.gz YZZYNZQVWGWMNQ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103250059 844727583 /nfs/dbraw/zinc/72/75/83/844727583.db2.gz ZRBFVDCNMMXVCT-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP COCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001103250059 844727586 /nfs/dbraw/zinc/72/75/86/844727586.db2.gz ZRBFVDCNMMXVCT-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP COCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001103250059 844727588 /nfs/dbraw/zinc/72/75/88/844727588.db2.gz ZRBFVDCNMMXVCT-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103367679 844744250 /nfs/dbraw/zinc/74/42/50/844744250.db2.gz DHRNCLNAYVCXJG-VSZNYVQBSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001103367679 844744253 /nfs/dbraw/zinc/74/42/53/844744253.db2.gz DHRNCLNAYVCXJG-VSZNYVQBSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001103367679 844744259 /nfs/dbraw/zinc/74/42/59/844744259.db2.gz DHRNCLNAYVCXJG-VSZNYVQBSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397061 844750779 /nfs/dbraw/zinc/75/07/79/844750779.db2.gz XOQIXHVNDKRICX-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397061 844750783 /nfs/dbraw/zinc/75/07/83/844750783.db2.gz XOQIXHVNDKRICX-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398064 844751243 /nfs/dbraw/zinc/75/12/43/844751243.db2.gz BCGXXRPCTNLSOB-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433964 844757385 /nfs/dbraw/zinc/75/73/85/844757385.db2.gz PLGXOONCYOGCFJ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433964 844757389 /nfs/dbraw/zinc/75/73/89/844757389.db2.gz PLGXOONCYOGCFJ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433964 844757391 /nfs/dbraw/zinc/75/73/91/844757391.db2.gz PLGXOONCYOGCFJ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001103535717 844775425 /nfs/dbraw/zinc/77/54/25/844775425.db2.gz XTMKVJJVLKBXSD-HZPDHXFCSA-N 2 1 354.495 0.048 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001103535717 844775429 /nfs/dbraw/zinc/77/54/29/844775429.db2.gz XTMKVJJVLKBXSD-HZPDHXFCSA-N 2 1 354.495 0.048 20 0 FCADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001103535688 844775765 /nfs/dbraw/zinc/77/57/65/844775765.db2.gz WNHQKDJYCIACRV-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001103535688 844775772 /nfs/dbraw/zinc/77/57/72/844775772.db2.gz WNHQKDJYCIACRV-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103613943 844787600 /nfs/dbraw/zinc/78/76/00/844787600.db2.gz CPMOJKSIRGOXKS-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103613943 844787601 /nfs/dbraw/zinc/78/76/01/844787601.db2.gz CPMOJKSIRGOXKS-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103613943 844787603 /nfs/dbraw/zinc/78/76/03/844787603.db2.gz CPMOJKSIRGOXKS-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723479 844807158 /nfs/dbraw/zinc/80/71/58/844807158.db2.gz LRFAOSFYCUJCQT-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722524 844807272 /nfs/dbraw/zinc/80/72/72/844807272.db2.gz RCUSWVCXMSLMON-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103753338 844815598 /nfs/dbraw/zinc/81/55/98/844815598.db2.gz CSRPOPHCSDSVAE-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP Cc1nnsc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034014 844856582 /nfs/dbraw/zinc/85/65/82/844856582.db2.gz PJAONCAQXZOUIK-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034014 844856592 /nfs/dbraw/zinc/85/65/92/844856592.db2.gz PJAONCAQXZOUIK-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630365 861506645 /nfs/dbraw/zinc/50/66/45/861506645.db2.gz PKRMYQDHIFFBOG-VQIMIIECSA-N 2 1 350.507 0.526 20 0 FCADMP CCOCCN1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630188 861506945 /nfs/dbraw/zinc/50/69/45/861506945.db2.gz LRYMAGKCMAAELN-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001104793963 844944774 /nfs/dbraw/zinc/94/47/74/844944774.db2.gz RJLDPTSMWXUSCU-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104874623 844953899 /nfs/dbraw/zinc/95/38/99/844953899.db2.gz ZDYYCQIYHXNRPO-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001105007585 844968342 /nfs/dbraw/zinc/96/83/42/844968342.db2.gz CBCZEODJVIPMER-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CCO)CCC2)O1 ZINC001105544276 844987068 /nfs/dbraw/zinc/98/70/68/844987068.db2.gz GEQUILLCWFOSHJ-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CCO)CCC2)O1 ZINC001105544276 844987072 /nfs/dbraw/zinc/98/70/72/844987072.db2.gz GEQUILLCWFOSHJ-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105642924 845007237 /nfs/dbraw/zinc/00/72/37/845007237.db2.gz OUOACZCGARFBQY-NNFUDEMPSA-N 2 1 355.523 0.675 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667277 845014023 /nfs/dbraw/zinc/01/40/23/845014023.db2.gz AFOFIIBBCBKPJK-PSBWJHGTSA-N 2 1 355.523 0.677 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148217 845115168 /nfs/dbraw/zinc/11/51/68/845115168.db2.gz JMHAJAATBPSPCQ-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106249492 845143051 /nfs/dbraw/zinc/14/30/51/845143051.db2.gz JGTRFAWEZTWEPY-KFWWJZLASA-N 2 1 368.503 0.489 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106255971 845144066 /nfs/dbraw/zinc/14/40/66/845144066.db2.gz RZEQFWGZWMIQRF-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106272322 845146217 /nfs/dbraw/zinc/14/62/17/845146217.db2.gz XUZXKEPQDZQQHM-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106340110 845159110 /nfs/dbraw/zinc/15/91/10/845159110.db2.gz LZLCFHXWQRQYQS-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106357534 845163256 /nfs/dbraw/zinc/16/32/56/845163256.db2.gz CMQPPRZZIGYNLR-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106433113 845174944 /nfs/dbraw/zinc/17/49/44/845174944.db2.gz AKPSYCZXOOGRJN-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453023 845176868 /nfs/dbraw/zinc/17/68/68/845176868.db2.gz BNERIBLUOFYRDZ-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106570852 845197175 /nfs/dbraw/zinc/19/71/75/845197175.db2.gz BOZPVNYPRXFCIE-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001106672027 845221684 /nfs/dbraw/zinc/22/16/84/845221684.db2.gz AJFNAWSZOGHHQZ-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001106767398 845247747 /nfs/dbraw/zinc/24/77/47/845247747.db2.gz AAKMWYJJUVAESB-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(COC)no2)[C@H](C)C1 ZINC001106840438 845265069 /nfs/dbraw/zinc/26/50/69/845265069.db2.gz MQTXBOHROYUWLK-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106910971 845284209 /nfs/dbraw/zinc/28/42/09/845284209.db2.gz YEMDDHRVJKOTAG-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442777 845373059 /nfs/dbraw/zinc/37/30/59/845373059.db2.gz OZWICXLSMYHKOE-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442777 845373061 /nfs/dbraw/zinc/37/30/61/845373061.db2.gz OZWICXLSMYHKOE-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442777 845373065 /nfs/dbraw/zinc/37/30/65/845373065.db2.gz OZWICXLSMYHKOE-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107451177 845375249 /nfs/dbraw/zinc/37/52/49/845375249.db2.gz QPKNQFPQCHNFCV-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107451177 845375257 /nfs/dbraw/zinc/37/52/57/845375257.db2.gz QPKNQFPQCHNFCV-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107451177 845375270 /nfs/dbraw/zinc/37/52/70/845375270.db2.gz QPKNQFPQCHNFCV-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609209 845407345 /nfs/dbraw/zinc/40/73/45/845407345.db2.gz IGQMWTZSKJDAAH-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609209 845407348 /nfs/dbraw/zinc/40/73/48/845407348.db2.gz IGQMWTZSKJDAAH-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609209 845407353 /nfs/dbraw/zinc/40/73/53/845407353.db2.gz IGQMWTZSKJDAAH-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632101 845412106 /nfs/dbraw/zinc/41/21/06/845412106.db2.gz QJNPGADAVNWPFY-ZHALLVOQSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632101 845412108 /nfs/dbraw/zinc/41/21/08/845412108.db2.gz QJNPGADAVNWPFY-ZHALLVOQSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632101 845412111 /nfs/dbraw/zinc/41/21/11/845412111.db2.gz QJNPGADAVNWPFY-ZHALLVOQSA-N 2 1 353.507 0.962 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643926 845414621 /nfs/dbraw/zinc/41/46/21/845414621.db2.gz YZWUIAXXIQBHTQ-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC1CC1)CC2 ZINC001107646607 845415048 /nfs/dbraw/zinc/41/50/48/845415048.db2.gz MOTXSOGLEFERHX-VQIMIIECSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107646607 845415051 /nfs/dbraw/zinc/41/50/51/845415051.db2.gz MOTXSOGLEFERHX-VQIMIIECSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107646607 845415055 /nfs/dbraw/zinc/41/50/55/845415055.db2.gz MOTXSOGLEFERHX-VQIMIIECSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109654128 845705534 /nfs/dbraw/zinc/70/55/34/845705534.db2.gz XYRXPQTVXNYHBR-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109654128 845705536 /nfs/dbraw/zinc/70/55/36/845705536.db2.gz XYRXPQTVXNYHBR-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001109674028 845711430 /nfs/dbraw/zinc/71/14/30/845711430.db2.gz YBEYWEKNTAQKLF-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001109674028 845711437 /nfs/dbraw/zinc/71/14/37/845711437.db2.gz YBEYWEKNTAQKLF-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902549 845756671 /nfs/dbraw/zinc/75/66/71/845756671.db2.gz PMGKXXFVNMUJAR-LMSBXDPUSA-N 2 1 353.507 0.980 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110115369 845798309 /nfs/dbraw/zinc/79/83/09/845798309.db2.gz VCAPHAUEMDCAES-SQNIBIBYSA-N 2 1 353.507 0.983 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](C[C@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798134 861613346 /nfs/dbraw/zinc/61/33/46/861613346.db2.gz AYKDBNXPTOTROQ-MAUKXSAKSA-N 2 1 357.495 0.027 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001110847588 845980245 /nfs/dbraw/zinc/98/02/45/845980245.db2.gz XTIKHNQQNQNDCT-ZJPYXAASSA-N 2 1 351.491 0.591 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001110956491 846002217 /nfs/dbraw/zinc/00/22/17/846002217.db2.gz LCDZCUGMEWYEQD-FPCVCCKLSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001110956491 846002228 /nfs/dbraw/zinc/00/22/28/846002228.db2.gz LCDZCUGMEWYEQD-FPCVCCKLSA-N 2 1 369.531 0.484 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001110991920 846009828 /nfs/dbraw/zinc/00/98/28/846009828.db2.gz GLLUGBKWMHDOMP-XLMAVXFVSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001110991920 846009833 /nfs/dbraw/zinc/00/98/33/846009833.db2.gz GLLUGBKWMHDOMP-XLMAVXFVSA-N 2 1 350.507 0.917 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150345 846049173 /nfs/dbraw/zinc/04/91/73/846049173.db2.gz LKVPYXZKHCZZRM-TWMKSMIVSA-N 2 1 350.463 0.701 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150345 846049179 /nfs/dbraw/zinc/04/91/79/846049179.db2.gz LKVPYXZKHCZZRM-TWMKSMIVSA-N 2 1 350.463 0.701 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197463 846059256 /nfs/dbraw/zinc/05/92/56/846059256.db2.gz YTBGZFULOIFNSS-MIGQKNRLSA-N 2 1 352.479 0.083 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197463 846059259 /nfs/dbraw/zinc/05/92/59/846059259.db2.gz YTBGZFULOIFNSS-MIGQKNRLSA-N 2 1 352.479 0.083 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274870 846074433 /nfs/dbraw/zinc/07/44/33/846074433.db2.gz LQRVAANXCYOEFI-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274870 846074440 /nfs/dbraw/zinc/07/44/40/846074440.db2.gz LQRVAANXCYOEFI-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274870 846074448 /nfs/dbraw/zinc/07/44/48/846074448.db2.gz LQRVAANXCYOEFI-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274870 846074451 /nfs/dbraw/zinc/07/44/51/846074451.db2.gz LQRVAANXCYOEFI-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111298856 846079880 /nfs/dbraw/zinc/07/98/80/846079880.db2.gz UNOAMGVKUOMWQQ-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111298856 846079886 /nfs/dbraw/zinc/07/98/86/846079886.db2.gz UNOAMGVKUOMWQQ-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297787 846079902 /nfs/dbraw/zinc/07/99/02/846079902.db2.gz VKPNOFIHWYIUIU-DGAVXFQQSA-N 2 1 353.467 0.023 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297787 846079908 /nfs/dbraw/zinc/07/99/08/846079908.db2.gz VKPNOFIHWYIUIU-DGAVXFQQSA-N 2 1 353.467 0.023 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276827325 861639494 /nfs/dbraw/zinc/63/94/94/861639494.db2.gz MBFVIAVMYYTTBJ-MAUKXSAKSA-N 2 1 355.479 0.319 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408365 846100029 /nfs/dbraw/zinc/10/00/29/846100029.db2.gz VCEBGEPVFVLILL-XDNAFOTISA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408365 846100037 /nfs/dbraw/zinc/10/00/37/846100037.db2.gz VCEBGEPVFVLILL-XDNAFOTISA-N 2 1 353.507 0.837 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111416965 846105128 /nfs/dbraw/zinc/10/51/28/846105128.db2.gz VCAPHAUEMDCAES-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778940 846201124 /nfs/dbraw/zinc/20/11/24/846201124.db2.gz PTBWURVTWYDAGJ-DOXZYTNZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778940 846201129 /nfs/dbraw/zinc/20/11/29/846201129.db2.gz PTBWURVTWYDAGJ-DOXZYTNZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778940 846201136 /nfs/dbraw/zinc/20/11/36/846201136.db2.gz PTBWURVTWYDAGJ-DOXZYTNZSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)CCCCC1 ZINC001111817306 846220699 /nfs/dbraw/zinc/22/06/99/846220699.db2.gz ZEAWJNXMKOZQCW-KXBFYZLASA-N 2 1 350.507 0.955 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)CCCCC1 ZINC001111817306 846220707 /nfs/dbraw/zinc/22/07/07/846220707.db2.gz ZEAWJNXMKOZQCW-KXBFYZLASA-N 2 1 350.507 0.955 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855564 846232183 /nfs/dbraw/zinc/23/21/83/846232183.db2.gz BJFOWPIDEXYLAT-KXBFYZLASA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2)[NH+](C)C ZINC001111875071 846242239 /nfs/dbraw/zinc/24/22/39/846242239.db2.gz PXQNBZMQVXGPHL-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCCC1)C2 ZINC001111926047 846264503 /nfs/dbraw/zinc/26/45/03/846264503.db2.gz VDOAWANWRXSJKK-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001111926047 846264508 /nfs/dbraw/zinc/26/45/08/846264508.db2.gz VDOAWANWRXSJKK-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111926047 846264515 /nfs/dbraw/zinc/26/45/15/846264515.db2.gz VDOAWANWRXSJKK-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983540 846279228 /nfs/dbraw/zinc/27/92/28/846279228.db2.gz MYQSYQNCGYTEHV-BXWFABGCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983540 846279239 /nfs/dbraw/zinc/27/92/39/846279239.db2.gz MYQSYQNCGYTEHV-BXWFABGCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983540 846279244 /nfs/dbraw/zinc/27/92/44/846279244.db2.gz MYQSYQNCGYTEHV-BXWFABGCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001112009692 846294666 /nfs/dbraw/zinc/29/46/66/846294666.db2.gz PFIXEAYWPDCZEA-IYOUNJFTSA-N 2 1 350.463 0.103 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001112009692 846294679 /nfs/dbraw/zinc/29/46/79/846294679.db2.gz PFIXEAYWPDCZEA-IYOUNJFTSA-N 2 1 350.463 0.103 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001112009692 846294692 /nfs/dbraw/zinc/29/46/92/846294692.db2.gz PFIXEAYWPDCZEA-IYOUNJFTSA-N 2 1 350.463 0.103 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017449 846298416 /nfs/dbraw/zinc/29/84/16/846298416.db2.gz GBLHDUUXVSYDPC-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075830 846356154 /nfs/dbraw/zinc/35/61/54/846356154.db2.gz WKHKXNQXVNCZOS-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075830 846356163 /nfs/dbraw/zinc/35/61/63/846356163.db2.gz WKHKXNQXVNCZOS-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131212 846407737 /nfs/dbraw/zinc/40/77/37/846407737.db2.gz PRFMIHJZMPBYRP-JHJVBQTASA-N 2 1 364.368 0.178 20 0 FCADMP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112156056 846423636 /nfs/dbraw/zinc/42/36/36/846423636.db2.gz WZOUXIMGTARBDJ-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160040 846426052 /nfs/dbraw/zinc/42/60/52/846426052.db2.gz OXNNWIBZTCGXRQ-CHWSQXEVSA-N 2 1 366.428 0.784 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001112160216 846426547 /nfs/dbraw/zinc/42/65/47/846426547.db2.gz YGJRAKHSSCSWLK-YRGRVCCFSA-N 2 1 366.428 0.640 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178876 846439307 /nfs/dbraw/zinc/43/93/07/846439307.db2.gz IXDRUPADSPUMBZ-ZIAGYGMSSA-N 2 1 367.412 0.724 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112182036 846442083 /nfs/dbraw/zinc/44/20/83/846442083.db2.gz KXKCQRLUCRRNNY-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112193067 846451402 /nfs/dbraw/zinc/45/14/02/846451402.db2.gz IWDCZXXPFCCYES-IJLUTSLNSA-N 2 1 362.396 0.196 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112205802 846463359 /nfs/dbraw/zinc/46/33/59/846463359.db2.gz BEDFZRCOEAADAH-QJPTWQEYSA-N 2 1 350.385 0.196 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001112208455 846464965 /nfs/dbraw/zinc/46/49/65/846464965.db2.gz SFOJAROWFZUALI-CHWSQXEVSA-N 2 1 364.412 0.717 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001112359958 846496957 /nfs/dbraw/zinc/49/69/57/846496957.db2.gz WBHSAXWOCMWDTG-HPFXQQBRSA-N 2 1 371.547 0.590 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516322 846512174 /nfs/dbraw/zinc/51/21/74/846512174.db2.gz DQBJTYAMEXSPPV-FPXQBCRKSA-N 2 1 350.507 0.681 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529471 846516503 /nfs/dbraw/zinc/51/65/03/846516503.db2.gz AQZRGRCIRRLIRF-BXWFABGCSA-N 2 1 350.507 0.683 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578470 846529056 /nfs/dbraw/zinc/52/90/56/846529056.db2.gz PZIXNUWDTBTYIJ-GJYPPUQNSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578265 846529267 /nfs/dbraw/zinc/52/92/67/846529267.db2.gz GOVRRELUDQLBKC-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOC)C2)C1 ZINC001112583208 846530910 /nfs/dbraw/zinc/53/09/10/846530910.db2.gz JCCFDMSXMPQNTJ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOC)C2)C1 ZINC001112583208 846530913 /nfs/dbraw/zinc/53/09/13/846530913.db2.gz JCCFDMSXMPQNTJ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCS(=O)(=O)CC)C[C@H]32)CC[N@@H+]1C ZINC001114304125 846549936 /nfs/dbraw/zinc/54/99/36/846549936.db2.gz LKQFVYBTOUHLNH-FIDHJVLJSA-N 2 1 371.547 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCS(=O)(=O)CC)C[C@H]32)CC[N@H+]1C ZINC001114304125 846549943 /nfs/dbraw/zinc/54/99/43/846549943.db2.gz LKQFVYBTOUHLNH-FIDHJVLJSA-N 2 1 371.547 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCS(=O)(=O)CC)C[C@H]32)CC[NH+]1C ZINC001114304125 846549952 /nfs/dbraw/zinc/54/99/52/846549952.db2.gz LKQFVYBTOUHLNH-FIDHJVLJSA-N 2 1 371.547 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCS(=O)(=O)CC)C[C@H]32)CC[NH+]1C ZINC001114304125 846549959 /nfs/dbraw/zinc/54/99/59/846549959.db2.gz LKQFVYBTOUHLNH-FIDHJVLJSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276973282 861717159 /nfs/dbraw/zinc/71/71/59/861717159.db2.gz BQYPOUQNMFJEQB-PKOBYXMFSA-N 2 1 352.523 0.319 20 0 FCADMP C[C@H](CO)C[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276973282 861717166 /nfs/dbraw/zinc/71/71/66/861717166.db2.gz BQYPOUQNMFJEQB-PKOBYXMFSA-N 2 1 352.523 0.319 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276973282 861717172 /nfs/dbraw/zinc/71/71/72/861717172.db2.gz BQYPOUQNMFJEQB-PKOBYXMFSA-N 2 1 352.523 0.319 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC001119412345 847835751 /nfs/dbraw/zinc/83/57/51/847835751.db2.gz UKRFSRHESZZXFS-ARFHVFGLSA-N 2 1 354.495 0.189 20 0 FCADMP CC1(C)CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001119423629 847839657 /nfs/dbraw/zinc/83/96/57/847839657.db2.gz AQNCGUNOQLQODF-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001121911603 848414774 /nfs/dbraw/zinc/41/47/74/848414774.db2.gz VJWLBGROJQZLEY-QGZVFWFLSA-N 2 1 352.429 0.949 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001122521276 848517054 /nfs/dbraw/zinc/51/70/54/848517054.db2.gz ISUIHKRJNCWFBX-OAHLLOKOSA-N 2 1 355.527 0.959 20 0 FCADMP Cc1nc(C)c(C)c(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001122834594 848544252 /nfs/dbraw/zinc/54/42/52/848544252.db2.gz BPKTUIOEKMXYEW-VCTAVGKDSA-N 2 1 351.451 0.010 20 0 FCADMP Cc1nc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1F ZINC001277531955 861921148 /nfs/dbraw/zinc/92/11/48/861921148.db2.gz UVEHEIRPNIKJAG-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1nc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1F ZINC001277531955 861921160 /nfs/dbraw/zinc/92/11/60/861921160.db2.gz UVEHEIRPNIKJAG-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564650 848606368 /nfs/dbraw/zinc/60/63/68/848606368.db2.gz ORQVESCJPNOKBL-IAGOWNOFSA-N 2 1 350.507 0.526 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCSC1 ZINC001123615453 848613330 /nfs/dbraw/zinc/61/33/30/848613330.db2.gz XCJUBKUHNJTYCQ-OAHLLOKOSA-N 2 1 358.508 0.172 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCSC1 ZINC001123615453 848613337 /nfs/dbraw/zinc/61/33/37/848613337.db2.gz XCJUBKUHNJTYCQ-OAHLLOKOSA-N 2 1 358.508 0.172 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCN1C ZINC001123794851 848639532 /nfs/dbraw/zinc/63/95/32/848639532.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123794851 848639535 /nfs/dbraw/zinc/63/95/35/848639535.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123794851 848639536 /nfs/dbraw/zinc/63/95/36/848639536.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 1 351.539 0.994 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706559 848732587 /nfs/dbraw/zinc/73/25/87/848732587.db2.gz MZIFXIZIRSFGJU-HRCADAONSA-N 2 1 356.511 0.354 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001129030365 848797799 /nfs/dbraw/zinc/79/77/99/848797799.db2.gz XEZXGIYMPXQPAX-XHSDSOJGSA-N 2 1 354.474 0.956 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129084577 848805754 /nfs/dbraw/zinc/80/57/54/848805754.db2.gz OHJBZZFHLDGAMR-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129084577 848805759 /nfs/dbraw/zinc/80/57/59/848805759.db2.gz OHJBZZFHLDGAMR-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129084577 848805764 /nfs/dbraw/zinc/80/57/64/848805764.db2.gz OHJBZZFHLDGAMR-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205369 848818559 /nfs/dbraw/zinc/81/85/59/848818559.db2.gz UKUKCCASLOKAFH-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386082 848837356 /nfs/dbraw/zinc/83/73/56/848837356.db2.gz XFXOGDXPHRTCLC-CVEARBPZSA-N 2 1 350.467 0.164 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386082 848837359 /nfs/dbraw/zinc/83/73/59/848837359.db2.gz XFXOGDXPHRTCLC-CVEARBPZSA-N 2 1 350.467 0.164 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386132 848837385 /nfs/dbraw/zinc/83/73/85/848837385.db2.gz YGKJGIVCSVADQB-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407434 848841133 /nfs/dbraw/zinc/84/11/33/848841133.db2.gz NHNDAYZVWRJWNC-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407434 848841134 /nfs/dbraw/zinc/84/11/34/848841134.db2.gz NHNDAYZVWRJWNC-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407434 848841141 /nfs/dbraw/zinc/84/11/41/848841141.db2.gz NHNDAYZVWRJWNC-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466338 848847818 /nfs/dbraw/zinc/84/78/18/848847818.db2.gz ZMYNPXZVNZURFC-CVEARBPZSA-N 2 1 352.483 0.385 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466338 848847823 /nfs/dbraw/zinc/84/78/23/848847823.db2.gz ZMYNPXZVNZURFC-CVEARBPZSA-N 2 1 352.483 0.385 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466338 848847826 /nfs/dbraw/zinc/84/78/26/848847826.db2.gz ZMYNPXZVNZURFC-CVEARBPZSA-N 2 1 352.483 0.385 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466338 848847829 /nfs/dbraw/zinc/84/78/29/848847829.db2.gz ZMYNPXZVNZURFC-CVEARBPZSA-N 2 1 352.483 0.385 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001129683966 848881602 /nfs/dbraw/zinc/88/16/02/848881602.db2.gz CZNKZWGLYIFRGI-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686114 848881841 /nfs/dbraw/zinc/88/18/41/848881841.db2.gz XEIKIOMHFNFECB-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129850429 848903129 /nfs/dbraw/zinc/90/31/29/848903129.db2.gz ZRXJUCZMZIVLKC-JJXSEGSLSA-N 2 1 352.458 0.710 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040873 848935458 /nfs/dbraw/zinc/93/54/58/848935458.db2.gz PWGOKRNSLFZQKK-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130081309 848941296 /nfs/dbraw/zinc/94/12/96/848941296.db2.gz IKKXIUBFQKADSR-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001130081309 848941301 /nfs/dbraw/zinc/94/13/01/848941301.db2.gz IKKXIUBFQKADSR-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130096290 848944804 /nfs/dbraw/zinc/94/48/04/848944804.db2.gz CVSFZNUARSIEOH-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130106968 848945823 /nfs/dbraw/zinc/94/58/23/848945823.db2.gz BMIOPEKDXVXKPY-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130137233 848951376 /nfs/dbraw/zinc/95/13/76/848951376.db2.gz OVCAVCWBGPHLNM-OLZOCXBDSA-N 2 1 362.400 0.912 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001130184238 848963656 /nfs/dbraw/zinc/96/36/56/848963656.db2.gz HRZAIVPJDQVZAG-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001130184238 848963661 /nfs/dbraw/zinc/96/36/61/848963661.db2.gz HRZAIVPJDQVZAG-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cccc(Cl)c2)O1 ZINC001130184488 848963694 /nfs/dbraw/zinc/96/36/94/848963694.db2.gz SHNAQQRNCXLUBD-IUODEOHRSA-N 2 1 368.865 0.703 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cccc(Cl)c2)O1 ZINC001130184488 848963701 /nfs/dbraw/zinc/96/37/01/848963701.db2.gz SHNAQQRNCXLUBD-IUODEOHRSA-N 2 1 368.865 0.703 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130307267 848998701 /nfs/dbraw/zinc/99/87/01/848998701.db2.gz NATJHHVDQKMDBI-QAPCUYQASA-N 2 1 356.486 0.773 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790384 849043563 /nfs/dbraw/zinc/04/35/63/849043563.db2.gz XPRPXUBUTRBVGG-GZBFAFLISA-N 2 1 350.467 0.591 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130802477 849046544 /nfs/dbraw/zinc/04/65/44/849046544.db2.gz VWZXQJLVROWMIX-UONOGXRCSA-N 2 1 350.467 0.592 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130816407 849048730 /nfs/dbraw/zinc/04/87/30/849048730.db2.gz VPAIDHGWZZFQAF-UONOGXRCSA-N 2 1 352.483 0.981 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131115771 849080304 /nfs/dbraw/zinc/08/03/04/849080304.db2.gz ZSXYEXNNMMZPSE-HZPDHXFCSA-N 2 1 351.495 0.682 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313366 849095794 /nfs/dbraw/zinc/09/57/94/849095794.db2.gz PIHVQJGEICOEHF-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131321136 849096946 /nfs/dbraw/zinc/09/69/46/849096946.db2.gz NYBIUUCTIVVPNP-OAGGEKHMSA-N 2 1 352.479 0.841 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131321136 849096954 /nfs/dbraw/zinc/09/69/54/849096954.db2.gz NYBIUUCTIVVPNP-OAGGEKHMSA-N 2 1 352.479 0.841 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131321136 849096964 /nfs/dbraw/zinc/09/69/64/849096964.db2.gz NYBIUUCTIVVPNP-OAGGEKHMSA-N 2 1 352.479 0.841 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131608436 849130264 /nfs/dbraw/zinc/13/02/64/849130264.db2.gz ANUAPBOEGRHLRM-UNEWFSDZSA-N 2 1 354.495 0.186 20 0 FCADMP CC[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[NH+](CC)CC ZINC001136663795 849233920 /nfs/dbraw/zinc/23/39/20/849233920.db2.gz ATZWXTXHXCOZIA-MRXNPFEDSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551186 849271408 /nfs/dbraw/zinc/27/14/08/849271408.db2.gz BCDWYGINLIZJTK-XMTFNYHQSA-N 2 1 352.523 0.316 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277695617 862000299 /nfs/dbraw/zinc/00/02/99/862000299.db2.gz QEMAJYJAQAXHOL-RISCZKNCSA-N 2 1 351.369 0.312 20 0 FCADMP CN1CCN(c2ncc(CN3CC([N@@H+](C)[C@H]4CCOC4)C3)s2)CC1 ZINC001139323583 849336115 /nfs/dbraw/zinc/33/61/15/849336115.db2.gz NKWKPTOGCKEPNS-AWEZNQCLSA-N 2 1 351.520 0.800 20 0 FCADMP CN(C1CN(Cc2cnc(N3CCN(C)CC3)s2)C1)[C@H]1CCOC1 ZINC001139323583 849336124 /nfs/dbraw/zinc/33/61/24/849336124.db2.gz NKWKPTOGCKEPNS-AWEZNQCLSA-N 2 1 351.520 0.800 20 0 FCADMP C[NH+]1CCN(CCC(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001143238070 849479668 /nfs/dbraw/zinc/47/96/68/849479668.db2.gz WMSVHZFZYZTOHO-UHFFFAOYSA-N 2 1 370.295 0.388 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583218 849584940 /nfs/dbraw/zinc/58/49/40/849584940.db2.gz OILJPAVLMMHOLU-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583218 849584942 /nfs/dbraw/zinc/58/49/42/849584942.db2.gz OILJPAVLMMHOLU-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583218 849584947 /nfs/dbraw/zinc/58/49/47/849584947.db2.gz OILJPAVLMMHOLU-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCSc1nc(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)cs1 ZINC001150927589 849673266 /nfs/dbraw/zinc/67/32/66/849673266.db2.gz GVBLASRQVJAYME-CYBMUJFWSA-N 2 1 358.533 0.522 20 0 FCADMP CS(=O)(=O)n1cc2c(n1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001155749995 849875401 /nfs/dbraw/zinc/87/54/01/849875401.db2.gz IGWDIHUKSUSDRS-UHFFFAOYSA-N 2 1 362.459 0.534 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccs2)CC[N@H+]1C ZINC001158379760 850041424 /nfs/dbraw/zinc/04/14/24/850041424.db2.gz HCAOEWMFQXJWQT-UKRRQHHQSA-N 2 1 352.504 0.800 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC001158380132 850042853 /nfs/dbraw/zinc/04/28/53/850042853.db2.gz COYMDMUMHQBZMT-XDTLVQLUSA-N 2 1 367.393 0.193 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001158404240 850047445 /nfs/dbraw/zinc/04/74/45/850047445.db2.gz SJFLHMBQPTXLOH-QWHCGFSZSA-N 2 1 353.492 0.908 20 0 FCADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968688 850087897 /nfs/dbraw/zinc/08/78/97/850087897.db2.gz WJVBVAAUYSENHD-OAHLLOKOSA-N 2 1 351.495 0.629 20 0 FCADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC3)cs1 ZINC001158976597 850089087 /nfs/dbraw/zinc/08/90/87/850089087.db2.gz KOUGKKOHVHRUNS-HZPDHXFCSA-N 2 1 364.515 0.989 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159481217 850117518 /nfs/dbraw/zinc/11/75/18/850117518.db2.gz KAILRUYXUOUMGC-SOLBZPMBSA-N 3 1 370.563 0.213 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001159481159 850117734 /nfs/dbraw/zinc/11/77/34/850117734.db2.gz IHQBZDKFWHKZFH-YPRHSBRXSA-N 2 1 371.547 0.289 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001159633801 850126137 /nfs/dbraw/zinc/12/61/37/850126137.db2.gz RJXYBMBSHXLTHL-WFASDCNBSA-N 2 1 351.451 0.517 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834656 850139813 /nfs/dbraw/zinc/13/98/13/850139813.db2.gz WFYDWUSVLOLVDT-CWVYHPPDSA-N 2 1 361.515 0.516 20 0 FCADMP [NH3+]CCCNCC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857081 850141024 /nfs/dbraw/zinc/14/10/24/850141024.db2.gz VXWDTYFIJPUAFZ-DOTOQJQBSA-N 2 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857081 850141028 /nfs/dbraw/zinc/14/10/28/850141028.db2.gz VXWDTYFIJPUAFZ-DOTOQJQBSA-N 3 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857081 850141035 /nfs/dbraw/zinc/14/10/35/850141035.db2.gz VXWDTYFIJPUAFZ-DOTOQJQBSA-N 3 1 350.438 0.428 20 0 FCADMP [NH3+]CCCNCC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857082 850141092 /nfs/dbraw/zinc/14/10/92/850141092.db2.gz VXWDTYFIJPUAFZ-NVXWUHKLSA-N 2 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857082 850141097 /nfs/dbraw/zinc/14/10/97/850141097.db2.gz VXWDTYFIJPUAFZ-NVXWUHKLSA-N 3 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857082 850141102 /nfs/dbraw/zinc/14/11/02/850141102.db2.gz VXWDTYFIJPUAFZ-NVXWUHKLSA-N 3 1 350.438 0.428 20 0 FCADMP Cc1nc(CO[C@@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)cs1 ZINC001160377353 850168333 /nfs/dbraw/zinc/16/83/33/850168333.db2.gz FMCWBQGOQGXBSU-GJZGRUSLSA-N 2 1 368.503 0.794 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001451 850220042 /nfs/dbraw/zinc/22/00/42/850220042.db2.gz YOJASVMUNHRIJH-NVXWUHKLSA-N 3 1 350.507 0.166 20 0 FCADMP [NH3+]CC1CC(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197577 850238993 /nfs/dbraw/zinc/23/89/93/850238993.db2.gz CKBNFHGPFKJAMD-UHFFFAOYSA-N 3 1 352.523 0.522 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CCC([NH+](C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001168330251 850581961 /nfs/dbraw/zinc/58/19/61/850581961.db2.gz NUDNLXVRNDZSDD-OFLPRAFFSA-N 2 1 350.507 0.728 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](CC3CC3)CC2)O1 ZINC001168378448 850585686 /nfs/dbraw/zinc/58/56/86/850585686.db2.gz NSJRZSMWPWHHAY-KURKYZTESA-N 2 1 351.491 0.855 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2nnn(C)n2)CC[N@@H+]1C ZINC001170878858 850670083 /nfs/dbraw/zinc/67/00/83/850670083.db2.gz RYKVGXSJFDPUSJ-SOUVJXGZSA-N 2 1 351.499 0.705 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2nnn(C)n2)CC[N@H+]1C ZINC001170878858 850670087 /nfs/dbraw/zinc/67/00/87/850670087.db2.gz RYKVGXSJFDPUSJ-SOUVJXGZSA-N 2 1 351.499 0.705 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171486666 850685528 /nfs/dbraw/zinc/68/55/28/850685528.db2.gz MLZVUORVOQTFCZ-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171486666 850685535 /nfs/dbraw/zinc/68/55/35/850685535.db2.gz MLZVUORVOQTFCZ-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[NH+]1CCN(CC(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001178953923 850942035 /nfs/dbraw/zinc/94/20/35/850942035.db2.gz SJHSQHLPIJMVGM-UHFFFAOYSA-N 2 1 354.495 0.332 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001180760718 851065341 /nfs/dbraw/zinc/06/53/41/851065341.db2.gz UGZHJNZBULPLCE-ZHALLVOQSA-N 2 1 351.491 0.524 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001180760718 851065345 /nfs/dbraw/zinc/06/53/45/851065345.db2.gz UGZHJNZBULPLCE-ZHALLVOQSA-N 2 1 351.491 0.524 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001180760718 851065352 /nfs/dbraw/zinc/06/53/52/851065352.db2.gz UGZHJNZBULPLCE-ZHALLVOQSA-N 2 1 351.491 0.524 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001180760718 851065354 /nfs/dbraw/zinc/06/53/54/851065354.db2.gz UGZHJNZBULPLCE-ZHALLVOQSA-N 2 1 351.491 0.524 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCOCC(F)(F)F)C2)O1 ZINC001183581845 851252430 /nfs/dbraw/zinc/25/24/30/851252430.db2.gz MNBHSUDKCIYIPW-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCOCC(F)(F)F)C2)O1 ZINC001183581845 851252438 /nfs/dbraw/zinc/25/24/38/851252438.db2.gz MNBHSUDKCIYIPW-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001185246080 851345231 /nfs/dbraw/zinc/34/52/31/851345231.db2.gz ZKDYOMHIWPEKRQ-GOSISDBHSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187957993 851631245 /nfs/dbraw/zinc/63/12/45/851631245.db2.gz BPMCVLXBAXIAMJ-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001187957993 851631257 /nfs/dbraw/zinc/63/12/57/851631257.db2.gz BPMCVLXBAXIAMJ-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187957993 851631264 /nfs/dbraw/zinc/63/12/64/851631264.db2.gz BPMCVLXBAXIAMJ-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187957993 851631273 /nfs/dbraw/zinc/63/12/73/851631273.db2.gz BPMCVLXBAXIAMJ-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187957993 851631281 /nfs/dbraw/zinc/63/12/81/851631281.db2.gz BPMCVLXBAXIAMJ-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188247213 851661171 /nfs/dbraw/zinc/66/11/71/851661171.db2.gz SKYMZWWVCWUVMK-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188247213 851661179 /nfs/dbraw/zinc/66/11/79/851661179.db2.gz SKYMZWWVCWUVMK-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188247213 851661188 /nfs/dbraw/zinc/66/11/88/851661188.db2.gz SKYMZWWVCWUVMK-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188247213 851661197 /nfs/dbraw/zinc/66/11/97/851661197.db2.gz SKYMZWWVCWUVMK-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818597 851728948 /nfs/dbraw/zinc/72/89/48/851728948.db2.gz LHHXAFMVAQVJGX-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818597 851728951 /nfs/dbraw/zinc/72/89/51/851728951.db2.gz LHHXAFMVAQVJGX-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818597 851728957 /nfs/dbraw/zinc/72/89/57/851728957.db2.gz LHHXAFMVAQVJGX-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818597 851728961 /nfs/dbraw/zinc/72/89/61/851728961.db2.gz LHHXAFMVAQVJGX-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188897197 851732389 /nfs/dbraw/zinc/73/23/89/851732389.db2.gz TUSDJJRXGPJGFE-OKZBNKHCSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001188897197 851732393 /nfs/dbraw/zinc/73/23/93/851732393.db2.gz TUSDJJRXGPJGFE-OKZBNKHCSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001188897197 851732398 /nfs/dbraw/zinc/73/23/98/851732398.db2.gz TUSDJJRXGPJGFE-OKZBNKHCSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001188964132 851738519 /nfs/dbraw/zinc/73/85/19/851738519.db2.gz VUIDXXBJXXIQNQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001188964132 851738522 /nfs/dbraw/zinc/73/85/22/851738522.db2.gz VUIDXXBJXXIQNQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971618 851739481 /nfs/dbraw/zinc/73/94/81/851739481.db2.gz YLLTVPAQSSBLIB-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001188985230 851740413 /nfs/dbraw/zinc/74/04/13/851740413.db2.gz AXXZARZLHVBVNY-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001189034373 851744243 /nfs/dbraw/zinc/74/42/43/851744243.db2.gz JDGXXCRVMCWBMN-HYVNUMGLSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001189034373 851744256 /nfs/dbraw/zinc/74/42/56/851744256.db2.gz JDGXXCRVMCWBMN-HYVNUMGLSA-N 2 1 371.547 0.542 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001189041731 851744814 /nfs/dbraw/zinc/74/48/14/851744814.db2.gz WTUGQYXXUYZYPO-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001189041731 851744821 /nfs/dbraw/zinc/74/48/21/851744821.db2.gz WTUGQYXXUYZYPO-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189484085 851794964 /nfs/dbraw/zinc/79/49/64/851794964.db2.gz BLKYMLVLXSJHQF-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001278277263 862286923 /nfs/dbraw/zinc/28/69/23/862286923.db2.gz VYJNNXBMXWLEIR-KURKYZTESA-N 2 1 351.491 0.809 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001278277263 862286936 /nfs/dbraw/zinc/28/69/36/862286936.db2.gz VYJNNXBMXWLEIR-KURKYZTESA-N 2 1 351.491 0.809 20 0 FCADMP COCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001278278526 862287370 /nfs/dbraw/zinc/28/73/70/862287370.db2.gz XHXQLCPFDKTGJL-IAGOWNOFSA-N 2 1 352.523 0.487 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001189811135 851826964 /nfs/dbraw/zinc/82/69/64/851826964.db2.gz SJSFHSJNFLSCDP-YESZJQIVSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001189913142 851841561 /nfs/dbraw/zinc/84/15/61/851841561.db2.gz MWCHYQPBAHWPJT-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001189913142 851841571 /nfs/dbraw/zinc/84/15/71/851841571.db2.gz MWCHYQPBAHWPJT-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001189913142 851841577 /nfs/dbraw/zinc/84/15/77/851841577.db2.gz MWCHYQPBAHWPJT-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149214 851867005 /nfs/dbraw/zinc/86/70/05/851867005.db2.gz UVDVNWXAIGMDSL-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149214 851867012 /nfs/dbraw/zinc/86/70/12/851867012.db2.gz UVDVNWXAIGMDSL-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149214 851867019 /nfs/dbraw/zinc/86/70/19/851867019.db2.gz UVDVNWXAIGMDSL-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001190149214 851867026 /nfs/dbraw/zinc/86/70/26/851867026.db2.gz UVDVNWXAIGMDSL-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001190176075 851870509 /nfs/dbraw/zinc/87/05/09/851870509.db2.gz BBNVCNUTFJZGCV-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001190176075 851870511 /nfs/dbraw/zinc/87/05/11/851870511.db2.gz BBNVCNUTFJZGCV-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371242 851899105 /nfs/dbraw/zinc/89/91/05/851899105.db2.gz RLVFNFNTSLZJNV-GVDBMIGSSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371242 851899111 /nfs/dbraw/zinc/89/91/11/851899111.db2.gz RLVFNFNTSLZJNV-GVDBMIGSSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371242 851899119 /nfs/dbraw/zinc/89/91/19/851899119.db2.gz RLVFNFNTSLZJNV-GVDBMIGSSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729152 852478187 /nfs/dbraw/zinc/47/81/87/852478187.db2.gz ULTZNYKGRHAPGX-RCCFBDPRSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729152 852478193 /nfs/dbraw/zinc/47/81/93/852478193.db2.gz ULTZNYKGRHAPGX-RCCFBDPRSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193729152 852478198 /nfs/dbraw/zinc/47/81/98/852478198.db2.gz ULTZNYKGRHAPGX-RCCFBDPRSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193729152 852478202 /nfs/dbraw/zinc/47/82/02/852478202.db2.gz ULTZNYKGRHAPGX-RCCFBDPRSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728728 852478304 /nfs/dbraw/zinc/47/83/04/852478304.db2.gz RWXOEOUCNMMRAL-RRFJBIMHSA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728728 852478308 /nfs/dbraw/zinc/47/83/08/852478308.db2.gz RWXOEOUCNMMRAL-RRFJBIMHSA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728728 852478313 /nfs/dbraw/zinc/47/83/13/852478313.db2.gz RWXOEOUCNMMRAL-RRFJBIMHSA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728728 852478317 /nfs/dbraw/zinc/47/83/17/852478317.db2.gz RWXOEOUCNMMRAL-RRFJBIMHSA-N 2 1 363.449 0.407 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)CCC1 ZINC001193737993 852479780 /nfs/dbraw/zinc/47/97/80/852479780.db2.gz LHABYWPNQCWSTK-CHWSQXEVSA-N 2 1 367.412 0.601 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001193754833 852482186 /nfs/dbraw/zinc/48/21/86/852482186.db2.gz CABXGJGZCIRUBR-BZUAXINKSA-N 2 1 350.463 0.739 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193754833 852482190 /nfs/dbraw/zinc/48/21/90/852482190.db2.gz CABXGJGZCIRUBR-BZUAXINKSA-N 2 1 350.463 0.739 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001193961196 852516555 /nfs/dbraw/zinc/51/65/55/852516555.db2.gz MBAMTXDDABSXKN-ZACQAIPSSA-N 2 1 351.495 0.193 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001193961196 852516566 /nfs/dbraw/zinc/51/65/66/852516566.db2.gz MBAMTXDDABSXKN-ZACQAIPSSA-N 2 1 351.495 0.193 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](CC3C(=O)N=CNC3=O)C2)C1 ZINC001278561145 862372106 /nfs/dbraw/zinc/37/21/06/862372106.db2.gz UVVPVGGXAVLPAJ-KRWDZBQOSA-N 2 1 351.451 0.116 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982422 852685562 /nfs/dbraw/zinc/68/55/62/852685562.db2.gz IRUNZOIVIVFGDV-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982422 852685565 /nfs/dbraw/zinc/68/55/65/852685565.db2.gz IRUNZOIVIVFGDV-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594268 852793307 /nfs/dbraw/zinc/79/33/07/852793307.db2.gz LESNPAQDVQNRQK-ZACQAIPSSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594268 852793314 /nfs/dbraw/zinc/79/33/14/852793314.db2.gz LESNPAQDVQNRQK-ZACQAIPSSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594268 852793321 /nfs/dbraw/zinc/79/33/21/852793321.db2.gz LESNPAQDVQNRQK-ZACQAIPSSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594268 852793325 /nfs/dbraw/zinc/79/33/25/852793325.db2.gz LESNPAQDVQNRQK-ZACQAIPSSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196175930 852905773 /nfs/dbraw/zinc/90/57/73/852905773.db2.gz HLUAKCBPDDQPDU-RKVPGOIHSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196175930 852905779 /nfs/dbraw/zinc/90/57/79/852905779.db2.gz HLUAKCBPDDQPDU-RKVPGOIHSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196175930 852905785 /nfs/dbraw/zinc/90/57/85/852905785.db2.gz HLUAKCBPDDQPDU-RKVPGOIHSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196175930 852905793 /nfs/dbraw/zinc/90/57/93/852905793.db2.gz HLUAKCBPDDQPDU-RKVPGOIHSA-N 2 1 359.486 0.785 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207797 852915838 /nfs/dbraw/zinc/91/58/38/852915838.db2.gz UYGODFQPXDTKOR-MCIONIFRSA-N 2 1 363.449 0.550 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207797 852915844 /nfs/dbraw/zinc/91/58/44/852915844.db2.gz UYGODFQPXDTKOR-MCIONIFRSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207797 852915848 /nfs/dbraw/zinc/91/58/48/852915848.db2.gz UYGODFQPXDTKOR-MCIONIFRSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207797 852915854 /nfs/dbraw/zinc/91/58/54/852915854.db2.gz UYGODFQPXDTKOR-MCIONIFRSA-N 2 1 363.449 0.550 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207847 852916152 /nfs/dbraw/zinc/91/61/52/852916152.db2.gz VMEJHFXIQGWXCX-JHJVBQTASA-N 2 1 369.428 0.439 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207847 852916156 /nfs/dbraw/zinc/91/61/56/852916156.db2.gz VMEJHFXIQGWXCX-JHJVBQTASA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207847 852916159 /nfs/dbraw/zinc/91/61/59/852916159.db2.gz VMEJHFXIQGWXCX-JHJVBQTASA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207847 852916161 /nfs/dbraw/zinc/91/61/61/852916161.db2.gz VMEJHFXIQGWXCX-JHJVBQTASA-N 2 1 369.428 0.439 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251599 852925319 /nfs/dbraw/zinc/92/53/19/852925319.db2.gz LWMNAHNELZXUEL-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001196631622 852989230 /nfs/dbraw/zinc/98/92/30/852989230.db2.gz KIUYDFFFNZVWAP-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001196631622 852989236 /nfs/dbraw/zinc/98/92/36/852989236.db2.gz KIUYDFFFNZVWAP-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196631622 852989241 /nfs/dbraw/zinc/98/92/41/852989241.db2.gz KIUYDFFFNZVWAP-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196631622 852989245 /nfs/dbraw/zinc/98/92/45/852989245.db2.gz KIUYDFFFNZVWAP-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1O ZINC001196666863 852993709 /nfs/dbraw/zinc/99/37/09/852993709.db2.gz HXRXTKRNFLEXHM-ARFHVFGLSA-N 2 1 352.479 0.719 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001196666863 852993716 /nfs/dbraw/zinc/99/37/16/852993716.db2.gz HXRXTKRNFLEXHM-ARFHVFGLSA-N 2 1 352.479 0.719 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001196953246 853039001 /nfs/dbraw/zinc/03/90/01/853039001.db2.gz ANDQVYBUSZAFIU-RBSFLKMASA-N 2 1 361.433 0.305 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001196953246 853039006 /nfs/dbraw/zinc/03/90/06/853039006.db2.gz ANDQVYBUSZAFIU-RBSFLKMASA-N 2 1 361.433 0.305 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001196953248 853039529 /nfs/dbraw/zinc/03/95/29/853039529.db2.gz ANDQVYBUSZAFIU-RRFJBIMHSA-N 2 1 361.433 0.305 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001196953248 853039532 /nfs/dbraw/zinc/03/95/32/853039532.db2.gz ANDQVYBUSZAFIU-RRFJBIMHSA-N 2 1 361.433 0.305 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001197001299 853047097 /nfs/dbraw/zinc/04/70/97/853047097.db2.gz YWGBWJCWFDLKDZ-HUUCEWRRSA-N 2 1 365.465 0.942 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001197001299 853047109 /nfs/dbraw/zinc/04/71/09/853047109.db2.gz YWGBWJCWFDLKDZ-HUUCEWRRSA-N 2 1 365.465 0.942 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001197001299 853047121 /nfs/dbraw/zinc/04/71/21/853047121.db2.gz YWGBWJCWFDLKDZ-HUUCEWRRSA-N 2 1 365.465 0.942 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001197001299 853047132 /nfs/dbraw/zinc/04/71/32/853047132.db2.gz YWGBWJCWFDLKDZ-HUUCEWRRSA-N 2 1 365.465 0.942 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198037901 853208073 /nfs/dbraw/zinc/20/80/73/853208073.db2.gz AGNPCQJSUZOUFJ-ZIAGYGMSSA-N 2 1 369.428 0.849 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198037901 853208077 /nfs/dbraw/zinc/20/80/77/853208077.db2.gz AGNPCQJSUZOUFJ-ZIAGYGMSSA-N 2 1 369.428 0.849 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198037901 853208079 /nfs/dbraw/zinc/20/80/79/853208079.db2.gz AGNPCQJSUZOUFJ-ZIAGYGMSSA-N 2 1 369.428 0.849 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198037947 853209133 /nfs/dbraw/zinc/20/91/33/853209133.db2.gz CRZOCNHOQIQFEX-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198037947 853209138 /nfs/dbraw/zinc/20/91/38/853209138.db2.gz CRZOCNHOQIQFEX-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198037947 853209141 /nfs/dbraw/zinc/20/91/41/853209141.db2.gz CRZOCNHOQIQFEX-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198037946 853209995 /nfs/dbraw/zinc/20/99/95/853209995.db2.gz CRZOCNHOQIQFEX-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198037946 853209998 /nfs/dbraw/zinc/20/99/98/853209998.db2.gz CRZOCNHOQIQFEX-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198037946 853210001 /nfs/dbraw/zinc/21/00/01/853210001.db2.gz CRZOCNHOQIQFEX-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001198048657 853210411 /nfs/dbraw/zinc/21/04/11/853210411.db2.gz YKQIAGIALHBRNF-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001198048657 853210421 /nfs/dbraw/zinc/21/04/21/853210421.db2.gz YKQIAGIALHBRNF-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001198048657 853210429 /nfs/dbraw/zinc/21/04/29/853210429.db2.gz YKQIAGIALHBRNF-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001198048657 853210436 /nfs/dbraw/zinc/21/04/36/853210436.db2.gz YKQIAGIALHBRNF-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198047980 853211239 /nfs/dbraw/zinc/21/12/39/853211239.db2.gz QCMBDUYQRMTCIK-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198047980 853211243 /nfs/dbraw/zinc/21/12/43/853211243.db2.gz QCMBDUYQRMTCIK-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198047980 853211255 /nfs/dbraw/zinc/21/12/55/853211255.db2.gz QCMBDUYQRMTCIK-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198047980 853211264 /nfs/dbraw/zinc/21/12/64/853211264.db2.gz QCMBDUYQRMTCIK-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654309 853297567 /nfs/dbraw/zinc/29/75/67/853297567.db2.gz SASCBNHRBNAHJI-QJPTWQEYSA-N 2 1 371.375 0.016 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654309 853297574 /nfs/dbraw/zinc/29/75/74/853297574.db2.gz SASCBNHRBNAHJI-QJPTWQEYSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654309 853297583 /nfs/dbraw/zinc/29/75/83/853297583.db2.gz SASCBNHRBNAHJI-QJPTWQEYSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654309 853297591 /nfs/dbraw/zinc/29/75/91/853297591.db2.gz SASCBNHRBNAHJI-QJPTWQEYSA-N 2 1 371.375 0.016 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001198699104 853303780 /nfs/dbraw/zinc/30/37/80/853303780.db2.gz IVOUIWCAFANYAK-DJIMGWMZSA-N 2 1 353.507 0.552 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O ZINC001198698773 853303805 /nfs/dbraw/zinc/30/38/05/853303805.db2.gz DXRKBYNHSXEXNP-GVDBMIGSSA-N 2 1 355.523 0.942 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001198744113 853312086 /nfs/dbraw/zinc/31/20/86/853312086.db2.gz LRYYAHYCTHQMBB-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001199017803 853355555 /nfs/dbraw/zinc/35/55/55/853355555.db2.gz LXNFMDUXLLMCFN-RBSFLKMASA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001199017803 853355564 /nfs/dbraw/zinc/35/55/64/853355564.db2.gz LXNFMDUXLLMCFN-RBSFLKMASA-N 2 1 361.433 0.448 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024028 853356852 /nfs/dbraw/zinc/35/68/52/853356852.db2.gz XVAKECMFLVTKOK-HUUCEWRRSA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024028 853356857 /nfs/dbraw/zinc/35/68/57/853356857.db2.gz XVAKECMFLVTKOK-HUUCEWRRSA-N 2 1 352.504 0.989 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001199018385 853356987 /nfs/dbraw/zinc/35/69/87/853356987.db2.gz XLTBBDGWSUMART-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001199370172 853415015 /nfs/dbraw/zinc/41/50/15/853415015.db2.gz NUTTVBYMQTWULQ-RCCFBDPRSA-N 2 1 353.507 0.983 20 0 FCADMP COC(=O)CCCS(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201911940 853557967 /nfs/dbraw/zinc/55/79/67/853557967.db2.gz FYCDXBLICQXCGY-UHFFFAOYSA-N 2 1 361.508 0.229 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001207232742 853792966 /nfs/dbraw/zinc/79/29/66/853792966.db2.gz YRDUBLISJIEWTM-UKRRQHHQSA-N 2 1 355.504 0.869 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263237 853795587 /nfs/dbraw/zinc/79/55/87/853795587.db2.gz QCMUGNRQPHBPQI-BZUAXINKSA-N 2 1 358.502 0.971 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263237 853795588 /nfs/dbraw/zinc/79/55/88/853795588.db2.gz QCMUGNRQPHBPQI-BZUAXINKSA-N 2 1 358.502 0.971 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207396564 853808635 /nfs/dbraw/zinc/80/86/35/853808635.db2.gz LZQOGNZMNOTXAZ-OKZBNKHCSA-N 2 1 351.491 0.524 20 0 FCADMP CC(C)CN1C[C@@]23C[N@@H+](CC4CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207437333 853813508 /nfs/dbraw/zinc/81/35/08/853813508.db2.gz UEGDFEDGSUXXMD-IKGGRYGDSA-N 2 1 357.520 0.499 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207543179 853822668 /nfs/dbraw/zinc/82/26/68/853822668.db2.gz GVSTWPVEUODKTN-ZIAGYGMSSA-N 2 1 350.463 0.056 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207750624 853854618 /nfs/dbraw/zinc/85/46/18/853854618.db2.gz USPJZDVEVUNVDF-ZIAGYGMSSA-N 2 1 352.479 0.302 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207750624 853854621 /nfs/dbraw/zinc/85/46/21/853854621.db2.gz USPJZDVEVUNVDF-ZIAGYGMSSA-N 2 1 352.479 0.302 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207750624 853854626 /nfs/dbraw/zinc/85/46/26/853854626.db2.gz USPJZDVEVUNVDF-ZIAGYGMSSA-N 2 1 352.479 0.302 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859175 853864869 /nfs/dbraw/zinc/86/48/69/853864869.db2.gz LAEYZUZQMWOLNA-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859175 853864875 /nfs/dbraw/zinc/86/48/75/853864875.db2.gz LAEYZUZQMWOLNA-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070310 853890862 /nfs/dbraw/zinc/89/08/62/853890862.db2.gz IVOQGHRRSKGIQI-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001208074187 853892287 /nfs/dbraw/zinc/89/22/87/853892287.db2.gz UPFXYXIOGTWBHU-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208106752 853896585 /nfs/dbraw/zinc/89/65/85/853896585.db2.gz JXKHGBMWPZUOLX-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410741 853929824 /nfs/dbraw/zinc/92/98/24/853929824.db2.gz DCKOTDRBMKCMJD-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410741 853929827 /nfs/dbraw/zinc/92/98/27/853929827.db2.gz DCKOTDRBMKCMJD-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410954 853929853 /nfs/dbraw/zinc/92/98/53/853929853.db2.gz JIOWZNCFDSFGNM-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410954 853929858 /nfs/dbraw/zinc/92/98/58/853929858.db2.gz JIOWZNCFDSFGNM-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)O1 ZINC001208410569 853930053 /nfs/dbraw/zinc/93/00/53/853930053.db2.gz BJWDQWSUEHPGAQ-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)O1 ZINC001208410569 853930058 /nfs/dbraw/zinc/93/00/58/853930058.db2.gz BJWDQWSUEHPGAQ-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425326 853932341 /nfs/dbraw/zinc/93/23/41/853932341.db2.gz CHUSMSVSXDTSEX-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425326 853932344 /nfs/dbraw/zinc/93/23/44/853932344.db2.gz CHUSMSVSXDTSEX-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435089 853934725 /nfs/dbraw/zinc/93/47/25/853934725.db2.gz RLMKWYXQGZTANU-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435089 853934729 /nfs/dbraw/zinc/93/47/29/853934729.db2.gz RLMKWYXQGZTANU-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435030 853934885 /nfs/dbraw/zinc/93/48/85/853934885.db2.gz OTZKEJHCGWLQDS-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494075 853942629 /nfs/dbraw/zinc/94/26/29/853942629.db2.gz DOEQCQMBAUSYFB-ZIAGYGMSSA-N 2 1 351.499 0.359 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001208698898 853967998 /nfs/dbraw/zinc/96/79/98/853967998.db2.gz HQMCFFLTVZCILX-KFWWJZLASA-N 2 1 362.540 0.093 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001208739112 853971001 /nfs/dbraw/zinc/97/10/01/853971001.db2.gz NUVBCQNZNGSIMC-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001208739112 853971004 /nfs/dbraw/zinc/97/10/04/853971004.db2.gz NUVBCQNZNGSIMC-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209149854 854001506 /nfs/dbraw/zinc/00/15/06/854001506.db2.gz HJTLSNOSHDMELC-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209149854 854001511 /nfs/dbraw/zinc/00/15/11/854001511.db2.gz HJTLSNOSHDMELC-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001209635258 854042005 /nfs/dbraw/zinc/04/20/05/854042005.db2.gz NRRQVZUNTRRDKK-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830319 854056340 /nfs/dbraw/zinc/05/63/40/854056340.db2.gz XXIINSALFRWBMM-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836130 854056355 /nfs/dbraw/zinc/05/63/55/854056355.db2.gz GCIBLILURKJQFF-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001210179533 854087158 /nfs/dbraw/zinc/08/71/58/854087158.db2.gz PILCOAXUEHTOFV-CRAIPNDOSA-N 2 1 353.507 0.554 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210321458 854100380 /nfs/dbraw/zinc/10/03/80/854100380.db2.gz AQVAWOIUWSCDTK-RHSMWYFYSA-N 2 1 351.495 0.515 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343939 854179258 /nfs/dbraw/zinc/17/92/58/854179258.db2.gz UIVNWDMVXDQWBR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369483 854183037 /nfs/dbraw/zinc/18/30/37/854183037.db2.gz JMHBRXHCWPGYTG-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369483 854183039 /nfs/dbraw/zinc/18/30/39/854183039.db2.gz JMHBRXHCWPGYTG-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369483 854183040 /nfs/dbraw/zinc/18/30/40/854183040.db2.gz JMHBRXHCWPGYTG-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001211369483 854183044 /nfs/dbraw/zinc/18/30/44/854183044.db2.gz JMHBRXHCWPGYTG-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346683 854583274 /nfs/dbraw/zinc/58/32/74/854583274.db2.gz YHOGRNHZFBEMRY-ARFHVFGLSA-N 2 1 356.511 0.399 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346683 854583283 /nfs/dbraw/zinc/58/32/83/854583283.db2.gz YHOGRNHZFBEMRY-ARFHVFGLSA-N 2 1 356.511 0.399 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348386 854584733 /nfs/dbraw/zinc/58/47/33/854584733.db2.gz KPIMFWRXCYUTAE-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399671 854601488 /nfs/dbraw/zinc/60/14/88/854601488.db2.gz GJCRDBIRKWIAHD-BRWVUGGUSA-N 2 1 351.495 0.364 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399671 854601492 /nfs/dbraw/zinc/60/14/92/854601492.db2.gz GJCRDBIRKWIAHD-BRWVUGGUSA-N 2 1 351.495 0.364 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434533 854614139 /nfs/dbraw/zinc/61/41/39/854614139.db2.gz GDSCWLJGDPAVGM-BZUAXINKSA-N 2 1 352.483 0.214 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434533 854614146 /nfs/dbraw/zinc/61/41/46/854614146.db2.gz GDSCWLJGDPAVGM-BZUAXINKSA-N 2 1 352.483 0.214 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581245 854675676 /nfs/dbraw/zinc/67/56/76/854675676.db2.gz SOVLZQZUSQZNKE-GVDBMIGSSA-N 2 1 355.479 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581245 854675678 /nfs/dbraw/zinc/67/56/78/854675678.db2.gz SOVLZQZUSQZNKE-GVDBMIGSSA-N 2 1 355.479 0.093 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1OC ZINC001213588415 854677610 /nfs/dbraw/zinc/67/76/10/854677610.db2.gz GCZAARWUDGBQOO-BRWVUGGUSA-N 2 1 359.511 0.321 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001213588415 854677614 /nfs/dbraw/zinc/67/76/14/854677614.db2.gz GCZAARWUDGBQOO-BRWVUGGUSA-N 2 1 359.511 0.321 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001213588415 854677617 /nfs/dbraw/zinc/67/76/17/854677617.db2.gz GCZAARWUDGBQOO-BRWVUGGUSA-N 2 1 359.511 0.321 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728799 854739776 /nfs/dbraw/zinc/73/97/76/854739776.db2.gz TUAPPUDIOQLHBU-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728799 854739781 /nfs/dbraw/zinc/73/97/81/854739781.db2.gz TUAPPUDIOQLHBU-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213744633 854748152 /nfs/dbraw/zinc/74/81/52/854748152.db2.gz BGPCORCWRRDVJY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213744633 854748158 /nfs/dbraw/zinc/74/81/58/854748158.db2.gz BGPCORCWRRDVJY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753657 854751246 /nfs/dbraw/zinc/75/12/46/854751246.db2.gz JIQLOKQTWNSSAB-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929921 854831102 /nfs/dbraw/zinc/83/11/02/854831102.db2.gz RWHJRBSITXLPBZ-GVDBMIGSSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929921 854831112 /nfs/dbraw/zinc/83/11/12/854831112.db2.gz RWHJRBSITXLPBZ-GVDBMIGSSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929921 854831118 /nfs/dbraw/zinc/83/11/18/854831118.db2.gz RWHJRBSITXLPBZ-GVDBMIGSSA-N 2 1 357.495 0.338 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388633 854938144 /nfs/dbraw/zinc/93/81/44/854938144.db2.gz FJNGJGNECKCWEE-KFWWJZLASA-N 2 1 354.495 0.058 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388633 854938145 /nfs/dbraw/zinc/93/81/45/854938145.db2.gz FJNGJGNECKCWEE-KFWWJZLASA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001214855347 855023088 /nfs/dbraw/zinc/02/30/88/855023088.db2.gz CQEKBEBMQBJBJP-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950275 855038616 /nfs/dbraw/zinc/03/86/16/855038616.db2.gz OXXFQLOTZMACHU-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950275 855038625 /nfs/dbraw/zinc/03/86/25/855038625.db2.gz OXXFQLOTZMACHU-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969694 855041526 /nfs/dbraw/zinc/04/15/26/855041526.db2.gz XAUUEGMRCWAVGY-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001215156037 855074480 /nfs/dbraw/zinc/07/44/80/855074480.db2.gz VLLXANHJCXHOHE-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155955 855074566 /nfs/dbraw/zinc/07/45/66/855074566.db2.gz QYRGXQQAPMJJRZ-UKRRQHHQSA-N 2 1 356.492 0.453 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001215933980 855157590 /nfs/dbraw/zinc/15/75/90/855157590.db2.gz ADILTEQMMGYEND-GDBMZVCRSA-N 2 1 370.519 0.843 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001216217555 855180947 /nfs/dbraw/zinc/18/09/47/855180947.db2.gz YIIVZJAWYALJTF-ZIAGYGMSSA-N 2 1 350.467 0.087 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001216217555 855180952 /nfs/dbraw/zinc/18/09/52/855180952.db2.gz YIIVZJAWYALJTF-ZIAGYGMSSA-N 2 1 350.467 0.087 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226307 855182093 /nfs/dbraw/zinc/18/20/93/855182093.db2.gz RYGKGYLRRIHMNF-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216383110 855197043 /nfs/dbraw/zinc/19/70/43/855197043.db2.gz IPAQAJOIHVSVNQ-FRRDWIJNSA-N 2 1 366.491 0.255 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)s1 ZINC001216401128 855199366 /nfs/dbraw/zinc/19/93/66/855199366.db2.gz GZEQPNHBKPOYKO-CHWSQXEVSA-N 2 1 355.508 0.615 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001216511374 855210036 /nfs/dbraw/zinc/21/00/36/855210036.db2.gz PYFPFBLZSYGUFF-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216754266 855232757 /nfs/dbraw/zinc/23/27/57/855232757.db2.gz NHVROBRVQDCZIH-FRRDWIJNSA-N 2 1 351.476 0.470 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001216754386 855233080 /nfs/dbraw/zinc/23/30/80/855233080.db2.gz RWQTYQNJZFVWBN-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001216752557 855233137 /nfs/dbraw/zinc/23/31/37/855233137.db2.gz TXOFXCIELDFCGJ-IJEWVQPXSA-N 2 1 364.515 0.753 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216844998 855256646 /nfs/dbraw/zinc/25/66/46/855256646.db2.gz SVJIEYHMFDEKKJ-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852440 855260939 /nfs/dbraw/zinc/26/09/39/855260939.db2.gz ZXRGFMXWORZHAC-HUUCEWRRSA-N 2 1 351.499 0.750 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852440 855260942 /nfs/dbraw/zinc/26/09/42/855260942.db2.gz ZXRGFMXWORZHAC-HUUCEWRRSA-N 2 1 351.499 0.750 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217915067 855382104 /nfs/dbraw/zinc/38/21/04/855382104.db2.gz IQZHABRKUOAKHR-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CCO[C@]12CC[NH2+]C2 ZINC001218135124 855399791 /nfs/dbraw/zinc/39/97/91/855399791.db2.gz KOXQYIVLYYJTAS-FVMDXXJSSA-N 2 1 352.391 0.062 20 0 FCADMP CC/C=C\CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162861 855402491 /nfs/dbraw/zinc/40/24/91/855402491.db2.gz TXBPLZYYGNJMPD-AVXICVFVSA-N 2 1 351.491 0.973 20 0 FCADMP CC/C=C\CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162861 855402496 /nfs/dbraw/zinc/40/24/96/855402496.db2.gz TXBPLZYYGNJMPD-AVXICVFVSA-N 2 1 351.491 0.973 20 0 FCADMP CC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162861 855402501 /nfs/dbraw/zinc/40/25/01/855402501.db2.gz TXBPLZYYGNJMPD-AVXICVFVSA-N 2 1 351.491 0.973 20 0 FCADMP CC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162861 855402508 /nfs/dbraw/zinc/40/25/08/855402508.db2.gz TXBPLZYYGNJMPD-AVXICVFVSA-N 2 1 351.491 0.973 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001218389832 855421304 /nfs/dbraw/zinc/42/13/04/855421304.db2.gz DIVZLCAIZUBJJU-SNVBAGLBSA-N 2 1 354.407 0.262 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001218389832 855421310 /nfs/dbraw/zinc/42/13/10/855421310.db2.gz DIVZLCAIZUBJJU-SNVBAGLBSA-N 2 1 354.407 0.262 20 0 FCADMP C[N@@H+]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533922 855436663 /nfs/dbraw/zinc/43/66/63/855436663.db2.gz UAXLPZFLAPLWGG-AAEUAGOBSA-N 3 1 365.503 0.350 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533922 855436666 /nfs/dbraw/zinc/43/66/66/855436666.db2.gz UAXLPZFLAPLWGG-AAEUAGOBSA-N 3 1 365.503 0.350 20 0 FCADMP Nc1ncc(Br)nc1N(CC1CC1)C(=O)C[NH2+]CCC[NH3+] ZINC001218635513 855455413 /nfs/dbraw/zinc/45/54/13/855455413.db2.gz GRQLZBXMEVMBFP-UHFFFAOYSA-N 2 1 357.256 0.503 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646670 855457386 /nfs/dbraw/zinc/45/73/86/855457386.db2.gz XIHXNRHXBGALFW-YESZJQIVSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646670 855457389 /nfs/dbraw/zinc/45/73/89/855457389.db2.gz XIHXNRHXBGALFW-YESZJQIVSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21)CC(C)(C)C ZINC001218646670 855457393 /nfs/dbraw/zinc/45/73/93/855457393.db2.gz XIHXNRHXBGALFW-YESZJQIVSA-N 2 1 353.507 0.912 20 0 FCADMP CC/C=C\CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789953 855479230 /nfs/dbraw/zinc/47/92/30/855479230.db2.gz YCCAMLLINAHZDB-JWRSSPFQSA-N 2 1 351.491 0.977 20 0 FCADMP CC/C=C\CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789953 855479237 /nfs/dbraw/zinc/47/92/37/855479237.db2.gz YCCAMLLINAHZDB-JWRSSPFQSA-N 2 1 351.491 0.977 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845057 855485838 /nfs/dbraw/zinc/48/58/38/855485838.db2.gz SQEMPWWAVLJTSJ-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218918554 855495656 /nfs/dbraw/zinc/49/56/56/855495656.db2.gz FEVFFFIQJFSQSK-OWCLPIDISA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918554 855495650 /nfs/dbraw/zinc/49/56/50/855495650.db2.gz FEVFFFIQJFSQSK-OWCLPIDISA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918554 855495652 /nfs/dbraw/zinc/49/56/52/855495652.db2.gz FEVFFFIQJFSQSK-OWCLPIDISA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218918554 855495661 /nfs/dbraw/zinc/49/56/61/855495661.db2.gz FEVFFFIQJFSQSK-OWCLPIDISA-N 2 1 354.495 0.284 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001218970545 855504446 /nfs/dbraw/zinc/50/44/46/855504446.db2.gz IZPARGXFUAUUNS-JKSUJKDBSA-N 2 1 368.503 0.175 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001218970545 855504448 /nfs/dbraw/zinc/50/44/48/855504448.db2.gz IZPARGXFUAUUNS-JKSUJKDBSA-N 2 1 368.503 0.175 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]21 ZINC001218965324 855504526 /nfs/dbraw/zinc/50/45/26/855504526.db2.gz JTIKZNWOTWLFLT-DLBZAZTESA-N 2 1 367.515 0.780 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001218970581 855505513 /nfs/dbraw/zinc/50/55/13/855505513.db2.gz KYEBTZQHELCPBR-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CC1 ZINC001219033403 855518527 /nfs/dbraw/zinc/51/85/27/855518527.db2.gz JOROXDXXBXBGBC-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CC/C=C/CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042258 855522943 /nfs/dbraw/zinc/52/29/43/855522943.db2.gz AOFUMPVRPSXQJW-UWBQZYMWSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C/CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042258 855522953 /nfs/dbraw/zinc/52/29/53/855522953.db2.gz AOFUMPVRPSXQJW-UWBQZYMWSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219042258 855522964 /nfs/dbraw/zinc/52/29/64/855522964.db2.gz AOFUMPVRPSXQJW-UWBQZYMWSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219042258 855522973 /nfs/dbraw/zinc/52/29/73/855522973.db2.gz AOFUMPVRPSXQJW-UWBQZYMWSA-N 2 1 351.491 0.975 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052270 855526384 /nfs/dbraw/zinc/52/63/84/855526384.db2.gz PVFWZMFWGNCVHS-OKZBNKHCSA-N 2 1 353.507 0.935 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001219052392 855528077 /nfs/dbraw/zinc/52/80/77/855528077.db2.gz YHTWPTYTWUDRRE-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280978 855615676 /nfs/dbraw/zinc/61/56/76/855615676.db2.gz SMNNLTZKQIZIPV-ZDUSSCGKSA-N 2 1 352.410 0.773 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798342 855817916 /nfs/dbraw/zinc/81/79/16/855817916.db2.gz JKNBLJXVIJGGHN-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798342 855817926 /nfs/dbraw/zinc/81/79/26/855817926.db2.gz JKNBLJXVIJGGHN-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798342 855817940 /nfs/dbraw/zinc/81/79/40/855817940.db2.gz JKNBLJXVIJGGHN-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001219798342 855817948 /nfs/dbraw/zinc/81/79/48/855817948.db2.gz JKNBLJXVIJGGHN-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219803621 855820605 /nfs/dbraw/zinc/82/06/05/855820605.db2.gz BATWVZRXVBTWBZ-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001219829856 855834916 /nfs/dbraw/zinc/83/49/16/855834916.db2.gz GPNWNPXVNBEKEZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219829856 855834922 /nfs/dbraw/zinc/83/49/22/855834922.db2.gz GPNWNPXVNBEKEZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219829856 855834928 /nfs/dbraw/zinc/83/49/28/855834928.db2.gz GPNWNPXVNBEKEZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001219874015 855855288 /nfs/dbraw/zinc/85/52/88/855855288.db2.gz WDLNZCILZRAFQP-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219927880 855881513 /nfs/dbraw/zinc/88/15/13/855881513.db2.gz GSLASHKPWYTCKC-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219927880 855881519 /nfs/dbraw/zinc/88/15/19/855881519.db2.gz GSLASHKPWYTCKC-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219927880 855881522 /nfs/dbraw/zinc/88/15/22/855881522.db2.gz GSLASHKPWYTCKC-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219927880 855881526 /nfs/dbraw/zinc/88/15/26/855881526.db2.gz GSLASHKPWYTCKC-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)CCCC1 ZINC001220078235 855948584 /nfs/dbraw/zinc/94/85/84/855948584.db2.gz KYZRPZMKVQYKGW-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)CCCC1 ZINC001220078039 855948632 /nfs/dbraw/zinc/94/86/32/855948632.db2.gz HBUJGMIENKSQEM-SJORKVTESA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220160014 855988457 /nfs/dbraw/zinc/98/84/57/855988457.db2.gz UYYKFQFVMLJYSC-AJNGGQMLSA-N 2 1 358.552 0.808 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220238084 856026291 /nfs/dbraw/zinc/02/62/91/856026291.db2.gz LWIDFAQDHSOBCL-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220238084 856026299 /nfs/dbraw/zinc/02/62/99/856026299.db2.gz LWIDFAQDHSOBCL-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355315 856081094 /nfs/dbraw/zinc/08/10/94/856081094.db2.gz LUQSWAFMCKUNLZ-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355315 856081103 /nfs/dbraw/zinc/08/11/03/856081103.db2.gz LUQSWAFMCKUNLZ-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220355315 856081109 /nfs/dbraw/zinc/08/11/09/856081109.db2.gz LUQSWAFMCKUNLZ-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359419 856081841 /nfs/dbraw/zinc/08/18/41/856081841.db2.gz LOVUTDNIAOSSTB-RVKKMQEKSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359419 856081852 /nfs/dbraw/zinc/08/18/52/856081852.db2.gz LOVUTDNIAOSSTB-RVKKMQEKSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359419 856081859 /nfs/dbraw/zinc/08/18/59/856081859.db2.gz LOVUTDNIAOSSTB-RVKKMQEKSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359775 856083373 /nfs/dbraw/zinc/08/33/73/856083373.db2.gz XUTQXKMIUDSLKC-VKJFTORMSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359775 856083377 /nfs/dbraw/zinc/08/33/77/856083377.db2.gz XUTQXKMIUDSLKC-VKJFTORMSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359775 856083383 /nfs/dbraw/zinc/08/33/83/856083383.db2.gz XUTQXKMIUDSLKC-VKJFTORMSA-N 2 1 359.486 0.787 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001220482226 856147773 /nfs/dbraw/zinc/14/77/73/856147773.db2.gz HXRXTKRNFLEXHM-XHSDSOJGSA-N 2 1 352.479 0.719 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001220482226 856147776 /nfs/dbraw/zinc/14/77/76/856147776.db2.gz HXRXTKRNFLEXHM-XHSDSOJGSA-N 2 1 352.479 0.719 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220550168 856179391 /nfs/dbraw/zinc/17/93/91/856179391.db2.gz LQKDCFMBUMUMGF-BBWFWOEESA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220550168 856179398 /nfs/dbraw/zinc/17/93/98/856179398.db2.gz LQKDCFMBUMUMGF-BBWFWOEESA-N 2 1 350.463 0.702 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220568262 856188800 /nfs/dbraw/zinc/18/88/00/856188800.db2.gz DHXZJYRHBVYRPK-SJORKVTESA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220568262 856188810 /nfs/dbraw/zinc/18/88/10/856188810.db2.gz DHXZJYRHBVYRPK-SJORKVTESA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001220568262 856188820 /nfs/dbraw/zinc/18/88/20/856188820.db2.gz DHXZJYRHBVYRPK-SJORKVTESA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001220568262 856188824 /nfs/dbraw/zinc/18/88/24/856188824.db2.gz DHXZJYRHBVYRPK-SJORKVTESA-N 2 1 359.511 0.323 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220740740 856274312 /nfs/dbraw/zinc/27/43/12/856274312.db2.gz PXQIOKVQAZOVMU-ZACQAIPSSA-N 2 1 359.511 0.057 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@@H]1O ZINC001220764144 856286315 /nfs/dbraw/zinc/28/63/15/856286315.db2.gz AQDJWLCMAQBILR-SJORKVTESA-N 2 1 369.893 0.622 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@@H]1O ZINC001220764144 856286321 /nfs/dbraw/zinc/28/63/21/856286321.db2.gz AQDJWLCMAQBILR-SJORKVTESA-N 2 1 369.893 0.622 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@@H]1O ZINC001220768235 856288823 /nfs/dbraw/zinc/28/88/23/856288823.db2.gz BTTUTLOKUYILMK-SJORKVTESA-N 2 1 353.438 0.396 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@@H]1O ZINC001220768235 856288834 /nfs/dbraw/zinc/28/88/34/856288834.db2.gz BTTUTLOKUYILMK-SJORKVTESA-N 2 1 353.438 0.396 20 0 FCADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768283 856289586 /nfs/dbraw/zinc/28/95/86/856289586.db2.gz DWBICWHLFZIBDK-SJORKVTESA-N 2 1 353.438 0.374 20 0 FCADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768283 856289591 /nfs/dbraw/zinc/28/95/91/856289591.db2.gz DWBICWHLFZIBDK-SJORKVTESA-N 2 1 353.438 0.374 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801741 856308511 /nfs/dbraw/zinc/30/85/11/856308511.db2.gz KIGHDXBCMJWZRX-OAGGEKHMSA-N 2 1 356.511 0.137 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801741 856308522 /nfs/dbraw/zinc/30/85/22/856308522.db2.gz KIGHDXBCMJWZRX-OAGGEKHMSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)noc2CC)C[C@@H]1O ZINC001220825748 856325724 /nfs/dbraw/zinc/32/57/24/856325724.db2.gz FFYAMFYQXLJRLX-CVEARBPZSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)noc2CC)C[C@@H]1O ZINC001220825748 856325731 /nfs/dbraw/zinc/32/57/31/856325731.db2.gz FFYAMFYQXLJRLX-CVEARBPZSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2CC)C[C@@H]1O ZINC001220825748 856325741 /nfs/dbraw/zinc/32/57/41/856325741.db2.gz FFYAMFYQXLJRLX-CVEARBPZSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2CC)C[C@@H]1O ZINC001220825748 856325748 /nfs/dbraw/zinc/32/57/48/856325748.db2.gz FFYAMFYQXLJRLX-CVEARBPZSA-N 2 1 352.479 0.939 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001279247186 862789008 /nfs/dbraw/zinc/78/90/08/862789008.db2.gz RHLMIIKLXYBSMU-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220994300 856411902 /nfs/dbraw/zinc/41/19/02/856411902.db2.gz KXUSIYSDMXNJTF-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221073110 856448942 /nfs/dbraw/zinc/44/89/42/856448942.db2.gz GODAFMGVUALMJN-KURKYZTESA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091303 856458070 /nfs/dbraw/zinc/45/80/70/856458070.db2.gz JQJVDIMVTWNAGY-ZACQAIPSSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091303 856458074 /nfs/dbraw/zinc/45/80/74/856458074.db2.gz JQJVDIMVTWNAGY-ZACQAIPSSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091303 856458076 /nfs/dbraw/zinc/45/80/76/856458076.db2.gz JQJVDIMVTWNAGY-ZACQAIPSSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091303 856458079 /nfs/dbraw/zinc/45/80/79/856458079.db2.gz JQJVDIMVTWNAGY-ZACQAIPSSA-N 2 1 353.438 0.361 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001221154318 856486706 /nfs/dbraw/zinc/48/67/06/856486706.db2.gz LGPOJQHNSLUEJB-KURKYZTESA-N 2 1 353.507 0.840 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)[C@H]2C1 ZINC001279269104 862805255 /nfs/dbraw/zinc/80/52/55/862805255.db2.gz JXQXRUBAXOFZFA-YVSFHVDLSA-N 2 1 351.491 0.775 20 0 FCADMP N[C@@H]1C[C@]2(C(=O)NCCCP(CCC[NH3+])c3ccccc3)CC[C@H]1[NH2+]2 ZINC001221271834 856534369 /nfs/dbraw/zinc/53/43/69/856534369.db2.gz KHWJMEJFADYGEN-KUBUGBAWSA-N 2 1 362.458 0.871 20 0 FCADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@@H]1CC[NH2+]1 ZINC001221340262 856552644 /nfs/dbraw/zinc/55/26/44/856552644.db2.gz RWCNYQXXATVZTG-KBPBESRZSA-N 2 1 363.487 0.638 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)=O)c1ccc(Cl)cc1 ZINC001221413144 856560384 /nfs/dbraw/zinc/56/03/84/856560384.db2.gz OIBFNEFZSWATQO-HOTGVXAUSA-N 2 1 371.865 0.966 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1)c1ccc(Cl)cc1 ZINC001221411972 856560419 /nfs/dbraw/zinc/56/04/19/856560419.db2.gz HQIVGWLSFUCOPW-CVEARBPZSA-N 2 1 354.882 0.637 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221587827 856614248 /nfs/dbraw/zinc/61/42/48/856614248.db2.gz JQGSOXXASNFPAA-BZUAXINKSA-N 2 1 352.458 0.491 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616975 856625799 /nfs/dbraw/zinc/62/57/99/856625799.db2.gz YEXFQBXUHXIJSJ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616975 856625804 /nfs/dbraw/zinc/62/58/04/856625804.db2.gz YEXFQBXUHXIJSJ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221616975 856625811 /nfs/dbraw/zinc/62/58/11/856625811.db2.gz YEXFQBXUHXIJSJ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221616975 856625817 /nfs/dbraw/zinc/62/58/17/856625817.db2.gz YEXFQBXUHXIJSJ-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001221789445 856684247 /nfs/dbraw/zinc/68/42/47/856684247.db2.gz XGYMXURAAHZTLP-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001221789445 856684254 /nfs/dbraw/zinc/68/42/54/856684254.db2.gz XGYMXURAAHZTLP-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817567 856697040 /nfs/dbraw/zinc/69/70/40/856697040.db2.gz YIGOWMBBRBOCNG-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817567 856697036 /nfs/dbraw/zinc/69/70/36/856697036.db2.gz YIGOWMBBRBOCNG-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817567 856697044 /nfs/dbraw/zinc/69/70/44/856697044.db2.gz YIGOWMBBRBOCNG-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817567 856697050 /nfs/dbraw/zinc/69/70/50/856697050.db2.gz YIGOWMBBRBOCNG-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221848359 856708559 /nfs/dbraw/zinc/70/85/59/856708559.db2.gz LKQLGEWIFOJFEY-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221848359 856708562 /nfs/dbraw/zinc/70/85/62/856708562.db2.gz LKQLGEWIFOJFEY-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221848359 856708568 /nfs/dbraw/zinc/70/85/68/856708568.db2.gz LKQLGEWIFOJFEY-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221873278 856718765 /nfs/dbraw/zinc/71/87/65/856718765.db2.gz VQJQWYHDTLXFAD-IAGOWNOFSA-N 2 1 350.463 0.513 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221873278 856718770 /nfs/dbraw/zinc/71/87/70/856718770.db2.gz VQJQWYHDTLXFAD-IAGOWNOFSA-N 2 1 350.463 0.513 20 0 FCADMP Cc1ncc(CO)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1O ZINC001279326523 862829565 /nfs/dbraw/zinc/82/95/65/862829565.db2.gz IGLIFYVNWAPINP-SJORKVTESA-N 2 1 350.463 0.035 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001221910592 856731041 /nfs/dbraw/zinc/73/10/41/856731041.db2.gz LDPSEZMBUATQFH-QZTJIDSGSA-N 2 1 353.507 0.648 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221921597 856734299 /nfs/dbraw/zinc/73/42/99/856734299.db2.gz AXGQHUARPUDLLT-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221921597 856734306 /nfs/dbraw/zinc/73/43/06/856734306.db2.gz AXGQHUARPUDLLT-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221921597 856734313 /nfs/dbraw/zinc/73/43/13/856734313.db2.gz AXGQHUARPUDLLT-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221972840 856754263 /nfs/dbraw/zinc/75/42/63/856754263.db2.gz LVWLNJPBFCNCPK-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221972840 856754268 /nfs/dbraw/zinc/75/42/68/856754268.db2.gz LVWLNJPBFCNCPK-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221972840 856754274 /nfs/dbraw/zinc/75/42/74/856754274.db2.gz LVWLNJPBFCNCPK-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973944 856754641 /nfs/dbraw/zinc/75/46/41/856754641.db2.gz RPTVNYXHHVNGBK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973944 856754642 /nfs/dbraw/zinc/75/46/42/856754642.db2.gz RPTVNYXHHVNGBK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973944 856754644 /nfs/dbraw/zinc/75/46/44/856754644.db2.gz RPTVNYXHHVNGBK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221973944 856754645 /nfs/dbraw/zinc/75/46/45/856754645.db2.gz RPTVNYXHHVNGBK-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027070 856775898 /nfs/dbraw/zinc/77/58/98/856775898.db2.gz JXBLCSLCAWXSOD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027070 856775905 /nfs/dbraw/zinc/77/59/05/856775905.db2.gz JXBLCSLCAWXSOD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089161 856798670 /nfs/dbraw/zinc/79/86/70/856798670.db2.gz BBZCRWGMFMTTAZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089161 856798674 /nfs/dbraw/zinc/79/86/74/856798674.db2.gz BBZCRWGMFMTTAZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442589 856839670 /nfs/dbraw/zinc/83/96/70/856839670.db2.gz NGAHTPCECNCHQM-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442589 856839678 /nfs/dbraw/zinc/83/96/78/856839678.db2.gz NGAHTPCECNCHQM-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442589 856839686 /nfs/dbraw/zinc/83/96/86/856839686.db2.gz NGAHTPCECNCHQM-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442589 856839690 /nfs/dbraw/zinc/83/96/90/856839690.db2.gz NGAHTPCECNCHQM-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976507 856886135 /nfs/dbraw/zinc/88/61/35/856886135.db2.gz RLOFGLWENHTONG-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976507 856886151 /nfs/dbraw/zinc/88/61/51/856886151.db2.gz RLOFGLWENHTONG-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222976507 856886162 /nfs/dbraw/zinc/88/61/62/856886162.db2.gz RLOFGLWENHTONG-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222976507 856886169 /nfs/dbraw/zinc/88/61/69/856886169.db2.gz RLOFGLWENHTONG-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223239863 856903940 /nfs/dbraw/zinc/90/39/40/856903940.db2.gz PZRVGBADEBKXTL-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001223410496 856915130 /nfs/dbraw/zinc/91/51/30/856915130.db2.gz AZQNQYKCTHJQPE-WBVHZDCISA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001223410496 856915136 /nfs/dbraw/zinc/91/51/36/856915136.db2.gz AZQNQYKCTHJQPE-WBVHZDCISA-N 2 1 371.547 0.686 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505421 856920882 /nfs/dbraw/zinc/92/08/82/856920882.db2.gz BAIHDVIRVZUELX-IKGGRYGDSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505421 856920887 /nfs/dbraw/zinc/92/08/87/856920887.db2.gz BAIHDVIRVZUELX-IKGGRYGDSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505421 856920895 /nfs/dbraw/zinc/92/08/95/856920895.db2.gz BAIHDVIRVZUELX-IKGGRYGDSA-N 2 1 353.507 0.648 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223698214 856938080 /nfs/dbraw/zinc/93/80/80/856938080.db2.gz YTVNEKRCIFXNCA-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223846663 856947045 /nfs/dbraw/zinc/94/70/45/856947045.db2.gz QKZUOVAGSFESDI-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223846663 856947051 /nfs/dbraw/zinc/94/70/51/856947051.db2.gz QKZUOVAGSFESDI-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223846663 856947054 /nfs/dbraw/zinc/94/70/54/856947054.db2.gz QKZUOVAGSFESDI-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224228193 856970164 /nfs/dbraw/zinc/97/01/64/856970164.db2.gz WLQWYPBNVZMPIN-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227432 856970610 /nfs/dbraw/zinc/97/06/10/856970610.db2.gz KSCKZJILGTZNBZ-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001226333494 857097601 /nfs/dbraw/zinc/09/76/01/857097601.db2.gz KNGUJCPDQQSOFZ-ZJIFWQFVSA-N 2 1 359.536 0.778 20 0 FCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354326 857155960 /nfs/dbraw/zinc/15/59/60/857155960.db2.gz ARISWFSHGZLJDW-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354326 857155961 /nfs/dbraw/zinc/15/59/61/857155961.db2.gz ARISWFSHGZLJDW-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001227354326 857155964 /nfs/dbraw/zinc/15/59/64/857155964.db2.gz ARISWFSHGZLJDW-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001227524862 857163588 /nfs/dbraw/zinc/16/35/88/857163588.db2.gz HEQVFCIDJJHJCG-FVQBIDKESA-N 2 1 370.519 0.889 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001227524864 857163819 /nfs/dbraw/zinc/16/38/19/857163819.db2.gz HEQVFCIDJJHJCG-NUEKZKHPSA-N 2 1 370.519 0.889 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954269 857186318 /nfs/dbraw/zinc/18/63/18/857186318.db2.gz QWUSPRSKGZYBOS-VNQPRFMTSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954269 857186322 /nfs/dbraw/zinc/18/63/22/857186322.db2.gz QWUSPRSKGZYBOS-VNQPRFMTSA-N 2 1 354.495 0.330 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001228367010 857206271 /nfs/dbraw/zinc/20/62/71/857206271.db2.gz ZCEMZITUOIPSIT-ZIAGYGMSSA-N 2 1 350.467 0.277 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001229142628 857253135 /nfs/dbraw/zinc/25/31/35/857253135.db2.gz WPPOMDOAAZEVNI-HZPDHXFCSA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229503515 857272765 /nfs/dbraw/zinc/27/27/65/857272765.db2.gz JXDHMMAFYUNQMQ-HZPDHXFCSA-N 2 1 356.511 0.498 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229524668 857273398 /nfs/dbraw/zinc/27/33/98/857273398.db2.gz QNGWCCZZWCFIPR-BRWVUGGUSA-N 2 1 359.511 0.369 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229523701 857273605 /nfs/dbraw/zinc/27/36/05/857273605.db2.gz IPAGJBTYIUEKAS-IAGOWNOFSA-N 2 1 356.511 0.498 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001229693292 857281918 /nfs/dbraw/zinc/28/19/18/857281918.db2.gz QYNIECYEZGMOIG-DJIMGWMZSA-N 2 1 350.507 0.871 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230141492 857306808 /nfs/dbraw/zinc/30/68/08/857306808.db2.gz MZIRMRIPRNUUFB-BZUAXINKSA-N 2 1 359.536 0.780 20 0 FCADMP COCCN1[C@@]2(CC[N@@H+](CCCC[NH3+])C2)c2ccccc2S1(=O)=O ZINC001235575326 857429286 /nfs/dbraw/zinc/42/92/86/857429286.db2.gz SEZUCDKBOHCQCH-QGZVFWFLSA-N 2 1 353.488 0.977 20 0 FCADMP COC(=O)[C@H]1CN(Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C[C@H]1[NH3+] ZINC001236350674 857440594 /nfs/dbraw/zinc/44/05/94/857440594.db2.gz JZWMZPRDXVKNJJ-GOEBONIOSA-N 2 1 350.438 0.510 20 0 FCADMP CCOC(=O)[C@H]1C[N@H+](Cc2nc3c(s2)C[NH2+]CC3)CCC12C[NH2+]C2 ZINC001237430652 857453047 /nfs/dbraw/zinc/45/30/47/857453047.db2.gz LQVXCXQJBTVRBO-GFCCVEGCSA-N 3 1 350.488 0.763 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)CCC12C[NH2+]C2 ZINC001237430652 857453053 /nfs/dbraw/zinc/45/30/53/857453053.db2.gz LQVXCXQJBTVRBO-GFCCVEGCSA-N 3 1 350.488 0.763 20 0 FCADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001237742693 857457687 /nfs/dbraw/zinc/45/76/87/857457687.db2.gz VCLQGLHUJOWYRZ-INIZCTEOSA-N 2 1 369.487 0.861 20 0 FCADMP [NH3+]CCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001238203944 857463847 /nfs/dbraw/zinc/46/38/47/857463847.db2.gz GMXMHDGNWMQQLE-QGZVFWFLSA-N 3 1 366.531 0.366 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239077010 857507046 /nfs/dbraw/zinc/50/70/46/857507046.db2.gz WBWHANCIWIRRPH-MRXNPFEDSA-N 2 1 368.503 0.425 20 0 FCADMP CN1CCC(N(C2CC[NH2+]CC2)S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239173115 857523589 /nfs/dbraw/zinc/52/35/89/857523589.db2.gz MWFPBEOLFYDTIK-UHFFFAOYSA-N 2 1 358.552 0.464 20 0 FCADMP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001279504401 862920941 /nfs/dbraw/zinc/92/09/41/862920941.db2.gz IDWVXDHTCQPIJP-TVFCKZIOSA-N 2 1 353.507 0.912 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502885 862921292 /nfs/dbraw/zinc/92/12/92/862921292.db2.gz ZGKCUSZGBOVDAG-IRXDYDNUSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001279502885 862921305 /nfs/dbraw/zinc/92/13/05/862921305.db2.gz ZGKCUSZGBOVDAG-IRXDYDNUSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502885 862921314 /nfs/dbraw/zinc/92/13/14/862921314.db2.gz ZGKCUSZGBOVDAG-IRXDYDNUSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502885 862921320 /nfs/dbraw/zinc/92/13/20/862921320.db2.gz ZGKCUSZGBOVDAG-IRXDYDNUSA-N 2 1 358.552 0.923 20 0 FCADMP COCCc1ccc(OC[C@@H](O)CNCCC[NH2+]CCCC[NH3+])cc1 ZINC001246011508 857564233 /nfs/dbraw/zinc/56/42/33/857564233.db2.gz VKSVFLCODZVAOH-SFHVURJKSA-N 2 1 353.507 0.923 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246012539 857564500 /nfs/dbraw/zinc/56/45/00/857564500.db2.gz AKGIFZYAYALDGC-CABCVRRESA-N 3 1 359.511 0.281 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@]1(O)CC[NH2+]C1)C2 ZINC001246031593 857566271 /nfs/dbraw/zinc/56/62/71/857566271.db2.gz CIQNLXQVTCQDMB-ZYSHUDEJSA-N 3 1 351.491 0.356 20 0 FCADMP CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055943 857567473 /nfs/dbraw/zinc/56/74/73/857567473.db2.gz MYFQAELZRANBNU-RTBURBONSA-N 2 1 358.571 0.665 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCOC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246259093 857571405 /nfs/dbraw/zinc/57/14/05/857571405.db2.gz ZCBPWUHCZJTXNW-IZTSSTLKSA-N 2 1 351.491 0.949 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3C[NH2+]C[C@@H]3CO)CC2)cc1 ZINC001246301971 857572358 /nfs/dbraw/zinc/57/23/58/857572358.db2.gz ZFNRHZYDTLRUIR-PBHICJAKSA-N 2 1 353.488 0.318 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C3CCN([C@H]4CC[NH2+]C4)CC3)C[C@H](C1)N2 ZINC001246377618 857576395 /nfs/dbraw/zinc/57/63/95/857576395.db2.gz OQGPXIFQMNMTGJ-TYPVFPSXSA-N 2 1 350.507 0.475 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697124 857590587 /nfs/dbraw/zinc/59/05/87/857590587.db2.gz UBZKASKKBIFBKO-IKGGRYGDSA-N 2 1 351.491 0.714 20 0 FCADMP CCOC(=O)[C@]12CN([C@H]3C[NH2+][C@](CC)(C(=O)OC)C3)C[C@H]1C[NH2+]CC2 ZINC001246855102 857603015 /nfs/dbraw/zinc/60/30/15/857603015.db2.gz JPGJBQBUHWHKHT-DTDBQYNISA-N 2 1 353.463 0.145 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246925738 857606833 /nfs/dbraw/zinc/60/68/33/857606833.db2.gz PDWRZKLDCMPWSY-OAHLLOKOSA-N 3 1 354.445 0.938 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246925738 857606838 /nfs/dbraw/zinc/60/68/38/857606838.db2.gz PDWRZKLDCMPWSY-OAHLLOKOSA-N 3 1 354.445 0.938 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001253184669 857869538 /nfs/dbraw/zinc/86/95/38/857869538.db2.gz IQONUIIDBGDHDC-BRSBDYLESA-N 2 1 353.507 0.506 20 0 FCADMP CCN1CC2(CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2)[C@H](COC)C1=O ZINC001253186534 857870551 /nfs/dbraw/zinc/87/05/51/857870551.db2.gz PMYDLIQFBZPUJN-IAGOWNOFSA-N 2 1 355.523 0.896 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255589114 858023179 /nfs/dbraw/zinc/02/31/79/858023179.db2.gz URSNDUWOPWOLFM-NEPJUHHUSA-N 2 1 357.455 0.390 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)CC1 ZINC001279609292 862977814 /nfs/dbraw/zinc/97/78/14/862977814.db2.gz NYZZXEMPUCYGAO-OKILXGFUSA-N 2 1 364.412 0.985 20 0 FCADMP COC1(CC(=O)N2C[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H](C2)O3)CCC1 ZINC001279614630 862978860 /nfs/dbraw/zinc/97/88/60/862978860.db2.gz BGEQZOYHVDCWQM-CALCHBBNSA-N 2 1 351.491 0.857 20 0 FCADMP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](CC4CC[NH2+]CC4)[C@@H]3C2)c1 ZINC001279614720 862978986 /nfs/dbraw/zinc/97/89/86/862978986.db2.gz ATRNRFPLDHFIIC-LSDHHAIUSA-N 2 1 353.492 0.115 20 0 FCADMP C[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC1 ZINC001256204522 858057586 /nfs/dbraw/zinc/05/75/86/858057586.db2.gz ICGYWVIUJRTCBO-APWZRJJASA-N 2 1 351.491 0.668 20 0 FCADMP C[NH+]1CCC([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC1 ZINC001256204522 858057587 /nfs/dbraw/zinc/05/75/87/858057587.db2.gz ICGYWVIUJRTCBO-APWZRJJASA-N 2 1 351.491 0.668 20 0 FCADMP CN(C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697021 858096299 /nfs/dbraw/zinc/09/62/99/858096299.db2.gz RJFJQPGNEREREP-WWDZGPRUSA-N 2 1 352.523 0.772 20 0 FCADMP CN(C)S(=O)(=O)N1CC2(C1)CCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001279621776 862984876 /nfs/dbraw/zinc/98/48/76/862984876.db2.gz YVPNPXQHWXDJNB-UHFFFAOYSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279625641 862984954 /nfs/dbraw/zinc/98/49/54/862984954.db2.gz GUWSSDYFARYJRQ-QGZVFWFLSA-N 2 1 374.551 0.301 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](C1CC[NH+](C(C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001257223711 858127104 /nfs/dbraw/zinc/12/71/04/858127104.db2.gz XLFXVCWJEUTPKB-KRWDZBQOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CC[NH+](C(C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001257223711 858127107 /nfs/dbraw/zinc/12/71/07/858127107.db2.gz XLFXVCWJEUTPKB-KRWDZBQOSA-N 2 1 350.507 0.728 20 0 FCADMP COCC[N@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001279721634 863024413 /nfs/dbraw/zinc/02/44/13/863024413.db2.gz FQTWVQYQUCPOGR-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC001262066545 858770614 /nfs/dbraw/zinc/77/06/14/858770614.db2.gz FFSBKQNSCSJMSE-OBJOEFQTSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC001262066545 858770617 /nfs/dbraw/zinc/77/06/17/858770617.db2.gz FFSBKQNSCSJMSE-OBJOEFQTSA-N 2 1 350.488 0.464 20 0 FCADMP CCC(C)(C)[NH+]1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001262212244 858821608 /nfs/dbraw/zinc/82/16/08/858821608.db2.gz GTFSLNBKCQUQKX-UHFFFAOYSA-N 2 1 351.499 0.706 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)cn1 ZINC001262772695 859046400 /nfs/dbraw/zinc/04/64/00/859046400.db2.gz KIAYUMHGULMQFM-UHFFFAOYSA-N 2 1 350.467 0.231 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094555 859308991 /nfs/dbraw/zinc/30/89/91/859308991.db2.gz LOGRPKOAXSFXPL-OAGGEKHMSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001264552257 859383720 /nfs/dbraw/zinc/38/37/20/859383720.db2.gz PLXRPZMTOCPJGE-PBHICJAKSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264650028 859413398 /nfs/dbraw/zinc/41/33/98/859413398.db2.gz BGHUULSFHSOJCS-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001270332034 859719010 /nfs/dbraw/zinc/71/90/10/859719010.db2.gz DNWLATUHULRWIX-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001270489294 859769898 /nfs/dbraw/zinc/76/98/98/859769898.db2.gz FVZWTOSDWXBJNH-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001272744849 860244879 /nfs/dbraw/zinc/24/48/79/860244879.db2.gz LLHXUPQOGANZRZ-MJGOQNOKSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001272822539 860272535 /nfs/dbraw/zinc/27/25/35/860272535.db2.gz YPJKKEYUKMJHSV-APWZRJJASA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273383946 860473577 /nfs/dbraw/zinc/47/35/77/860473577.db2.gz DLKXQOIKEFMDKL-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001273405447 860480462 /nfs/dbraw/zinc/48/04/62/860480462.db2.gz QUUJRKSJKUNOCG-LJQANCHMSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001273514635 860515215 /nfs/dbraw/zinc/51/52/15/860515215.db2.gz KAODUHUVTMSOKM-ZIAGYGMSSA-N 2 1 351.451 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001273514635 860515224 /nfs/dbraw/zinc/51/52/24/860515224.db2.gz KAODUHUVTMSOKM-ZIAGYGMSSA-N 2 1 351.451 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001273514635 860515234 /nfs/dbraw/zinc/51/52/34/860515234.db2.gz KAODUHUVTMSOKM-ZIAGYGMSSA-N 2 1 351.451 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)Nc2ccon2)CC[NH+]1C ZINC001273514635 860515239 /nfs/dbraw/zinc/51/52/39/860515239.db2.gz KAODUHUVTMSOKM-ZIAGYGMSSA-N 2 1 351.451 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)Nc2ccon2)CC[NH+]1C ZINC001273514635 860515252 /nfs/dbraw/zinc/51/52/52/860515252.db2.gz KAODUHUVTMSOKM-ZIAGYGMSSA-N 2 1 351.451 0.734 20 0 FCADMP CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203371 860706654 /nfs/dbraw/zinc/70/66/54/860706654.db2.gz MKORWCJRZXYMLF-SFHVURJKSA-N 2 1 352.523 0.319 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203371 860706657 /nfs/dbraw/zinc/70/66/57/860706657.db2.gz MKORWCJRZXYMLF-SFHVURJKSA-N 2 1 352.523 0.319 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC001274459310 860755872 /nfs/dbraw/zinc/75/58/72/860755872.db2.gz PTOXMNMWUANSNH-HNNXBMFYSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC001274459310 860755880 /nfs/dbraw/zinc/75/58/80/860755880.db2.gz PTOXMNMWUANSNH-HNNXBMFYSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275171053 860977205 /nfs/dbraw/zinc/97/72/05/860977205.db2.gz CKBFBQPJRDHAJR-HNNXBMFYSA-N 2 1 363.531 0.732 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171053 860977226 /nfs/dbraw/zinc/97/72/26/860977226.db2.gz CKBFBQPJRDHAJR-HNNXBMFYSA-N 2 1 363.531 0.732 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171053 860977237 /nfs/dbraw/zinc/97/72/37/860977237.db2.gz CKBFBQPJRDHAJR-HNNXBMFYSA-N 2 1 363.531 0.732 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c(N)cccc3F)C2)OCC1=O ZINC001275336441 861037160 /nfs/dbraw/zinc/03/71/60/861037160.db2.gz CPSOJXISGNHIOO-GOSISDBHSA-N 2 1 350.438 0.773 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c(N)cccc3F)C2)OCC1=O ZINC001275336441 861037173 /nfs/dbraw/zinc/03/71/73/861037173.db2.gz CPSOJXISGNHIOO-GOSISDBHSA-N 2 1 350.438 0.773 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515309 861119227 /nfs/dbraw/zinc/11/92/27/861119227.db2.gz KATLWIGJCUZEHP-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557263 861129207 /nfs/dbraw/zinc/12/92/07/861129207.db2.gz WNNHPTUWAYPJSP-SFHVURJKSA-N 2 1 371.547 0.687 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557041 861129401 /nfs/dbraw/zinc/12/94/01/861129401.db2.gz SZJUFPMPGONUJI-SFHVURJKSA-N 2 1 355.479 0.252 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737535 861180008 /nfs/dbraw/zinc/18/00/08/861180008.db2.gz LFDWIXFPKBPMTA-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736429 861180790 /nfs/dbraw/zinc/18/07/90/861180790.db2.gz DPOFFRJQVXQDPU-YJBOKZPZSA-N 2 1 353.463 0.098 20 0 FCADMP COC(C)(C)CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738029 861181907 /nfs/dbraw/zinc/18/19/07/861181907.db2.gz RTYNWEILFOKMBA-LJQANCHMSA-N 2 1 353.507 0.962 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743865 861187845 /nfs/dbraw/zinc/18/78/45/861187845.db2.gz ZLXJSAVEZPVEEC-LJQANCHMSA-N 3 1 352.523 0.583 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893960 863120056 /nfs/dbraw/zinc/12/00/56/863120056.db2.gz NNWYRMZLJYRYLK-MVJTYMMSSA-N 2 1 351.491 0.713 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893957 863120383 /nfs/dbraw/zinc/12/03/83/863120383.db2.gz NNWYRMZLJYRYLK-IDCNUPLLSA-N 2 1 351.491 0.713 20 0 FCADMP C[NH+]1CCC(N2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)CC1 ZINC001280070992 863242173 /nfs/dbraw/zinc/24/21/73/863242173.db2.gz IJGVRXCMWMNNEY-OLZOCXBDSA-N 2 1 350.385 0.738 20 0 FCADMP CS(=O)(=O)CCNC(=O)[C@H]1CCC[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280138444 863288617 /nfs/dbraw/zinc/28/86/17/863288617.db2.gz YUZSDGQVJJFLEH-SJLPKXTDSA-N 2 1 371.547 0.639 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280221165 863344893 /nfs/dbraw/zinc/34/48/93/863344893.db2.gz MUJQKNGOKJLWDR-BPQIPLTHSA-N 2 1 352.523 0.485 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280221165 863344903 /nfs/dbraw/zinc/34/49/03/863344903.db2.gz MUJQKNGOKJLWDR-BPQIPLTHSA-N 2 1 352.523 0.485 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CCC3(C2)CC[NH+](CCC[NH+](C)C)CC3)c1 ZINC001280225748 863348693 /nfs/dbraw/zinc/34/86/93/863348693.db2.gz UZGVHNQVLFYFSY-UHFFFAOYSA-N 2 1 369.535 0.848 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001282291271 864169558 /nfs/dbraw/zinc/16/95/58/864169558.db2.gz OGTHUWKPLBVEMS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCCC2)CC[N@H+]1C ZINC001285115990 864611077 /nfs/dbraw/zinc/61/10/77/864611077.db2.gz NUTJBYOAGSAAEQ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)CC[NH+]1C ZINC001285115990 864611080 /nfs/dbraw/zinc/61/10/80/864611080.db2.gz NUTJBYOAGSAAEQ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)CC[NH+]1C ZINC001285115990 864611085 /nfs/dbraw/zinc/61/10/85/864611085.db2.gz NUTJBYOAGSAAEQ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC001289833108 865293502 /nfs/dbraw/zinc/29/35/02/865293502.db2.gz HUBQHPLVYCQPGG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001289833108 865293512 /nfs/dbraw/zinc/29/35/12/865293512.db2.gz HUBQHPLVYCQPGG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001289833108 865293518 /nfs/dbraw/zinc/29/35/18/865293518.db2.gz HUBQHPLVYCQPGG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294457493 865835889 /nfs/dbraw/zinc/83/58/89/865835889.db2.gz MQZDKCATKUOJGI-WMZOPIPTSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294457493 865835905 /nfs/dbraw/zinc/83/59/05/865835905.db2.gz MQZDKCATKUOJGI-WMZOPIPTSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294457493 865835916 /nfs/dbraw/zinc/83/59/16/865835916.db2.gz MQZDKCATKUOJGI-WMZOPIPTSA-N 2 1 350.511 0.821 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@H+]1C ZINC001296618974 865980656 /nfs/dbraw/zinc/98/06/56/865980656.db2.gz QGVMKSVFZWTWQH-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001350006315 866488977 /nfs/dbraw/zinc/48/89/77/866488977.db2.gz FFGVEUJMRROABJ-KKUMJFAQSA-N 2 1 354.495 0.201 20 0 FCADMP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CC[NH+]1CCSCC1 ZINC001306210418 866613682 /nfs/dbraw/zinc/61/36/82/866613682.db2.gz QJOYSNVLLKVEMG-UHFFFAOYSA-N 2 1 368.551 0.658 20 0 FCADMP CN(C[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)CC(F)(F)F ZINC001307569194 866665277 /nfs/dbraw/zinc/66/52/77/866665277.db2.gz PXUHAUNOQAFYJF-LSDHHAIUSA-N 2 1 352.445 0.553 20 0 FCADMP CN(C[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CC(F)(F)F ZINC001307569194 866665283 /nfs/dbraw/zinc/66/52/83/866665283.db2.gz PXUHAUNOQAFYJF-LSDHHAIUSA-N 2 1 352.445 0.553 20 0 FCADMP CN(C[C@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)CC(F)(F)F ZINC001307569192 866665410 /nfs/dbraw/zinc/66/54/10/866665410.db2.gz PXUHAUNOQAFYJF-GJZGRUSLSA-N 2 1 352.445 0.553 20 0 FCADMP CN(C[C@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CC(F)(F)F ZINC001307569192 866665413 /nfs/dbraw/zinc/66/54/13/866665413.db2.gz PXUHAUNOQAFYJF-GJZGRUSLSA-N 2 1 352.445 0.553 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001316596994 867361413 /nfs/dbraw/zinc/36/14/13/867361413.db2.gz SCVCFHJTKFWDNC-FRRDWIJNSA-N 2 1 366.428 0.832 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458405 867427446 /nfs/dbraw/zinc/42/74/46/867427446.db2.gz REOMPSFHCSWAFJ-HOTGVXAUSA-N 2 1 354.495 0.291 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001316761038 867460044 /nfs/dbraw/zinc/46/00/44/867460044.db2.gz SNTHCSGJTRHUKB-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC001319325323 867886424 /nfs/dbraw/zinc/88/64/24/867886424.db2.gz QEZMCKOMIDAHDG-HNNXBMFYSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320868582 868302419 /nfs/dbraw/zinc/30/24/19/868302419.db2.gz GAZYJSYWQKJZQU-AWEZNQCLSA-N 2 1 350.467 0.183 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001325428716 869889881 /nfs/dbraw/zinc/88/98/81/869889881.db2.gz RTTILPBXKJSWLM-AWEZNQCLSA-N 2 1 352.504 0.549 20 0 FCADMP CN(C(=O)NCCCCS(C)(=O)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001325948161 870108263 /nfs/dbraw/zinc/10/82/63/870108263.db2.gz LNEXSWYLJRZIRF-MRXNPFEDSA-N 2 1 374.551 0.621 20 0 FCADMP CN(C(=O)NCCCCS(C)(=O)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001325948161 870108270 /nfs/dbraw/zinc/10/82/70/870108270.db2.gz LNEXSWYLJRZIRF-MRXNPFEDSA-N 2 1 374.551 0.621 20 0 FCADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H](C)S(C)(=O)=O ZINC001326104498 870168572 /nfs/dbraw/zinc/16/85/72/870168572.db2.gz JYNODOZGFQQLBA-QWHCGFSZSA-N 2 1 354.476 0.841 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)no1 ZINC001326366636 870276264 /nfs/dbraw/zinc/27/62/64/870276264.db2.gz AXVHBEWAVCBNPZ-UHFFFAOYSA-N 2 1 351.451 0.458 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC(C1CC1)C1CC1 ZINC001327391349 870834880 /nfs/dbraw/zinc/83/48/80/870834880.db2.gz LDIAJOBUKGVKHQ-UHFFFAOYSA-N 2 1 350.507 0.776 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC(C1CC1)C1CC1 ZINC001327391349 870834890 /nfs/dbraw/zinc/83/48/90/870834890.db2.gz LDIAJOBUKGVKHQ-UHFFFAOYSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@H]21 ZINC001344715642 870991890 /nfs/dbraw/zinc/99/18/90/870991890.db2.gz OKLLDLVPANBFHH-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)CC[C@H]21 ZINC001344715642 870991896 /nfs/dbraw/zinc/99/18/96/870991896.db2.gz OKLLDLVPANBFHH-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001344727522 870997019 /nfs/dbraw/zinc/99/70/19/870997019.db2.gz HOUPEMMUXXZCGA-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001344727522 870997027 /nfs/dbraw/zinc/99/70/27/870997027.db2.gz HOUPEMMUXXZCGA-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001344727522 870997039 /nfs/dbraw/zinc/99/70/39/870997039.db2.gz HOUPEMMUXXZCGA-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1C ZINC001329290173 871936388 /nfs/dbraw/zinc/93/63/88/871936388.db2.gz IBQYWZSTMGJYCH-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001330237841 872537425 /nfs/dbraw/zinc/53/74/25/872537425.db2.gz ULDCRCPQJLDFBQ-CVEARBPZSA-N 2 1 351.495 0.454 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001330237841 872537438 /nfs/dbraw/zinc/53/74/38/872537438.db2.gz ULDCRCPQJLDFBQ-CVEARBPZSA-N 2 1 351.495 0.454 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001330237841 872537447 /nfs/dbraw/zinc/53/74/47/872537447.db2.gz ULDCRCPQJLDFBQ-CVEARBPZSA-N 2 1 351.495 0.454 20 0 FCADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC001330502945 872674050 /nfs/dbraw/zinc/67/40/50/872674050.db2.gz KJDFOEFWLCFVAF-GFCCVEGCSA-N 2 1 350.444 0.572 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511488 873537945 /nfs/dbraw/zinc/53/79/45/873537945.db2.gz QHBFSYQQWXMZBQ-GJZGRUSLSA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511488 873537951 /nfs/dbraw/zinc/53/79/51/873537951.db2.gz QHBFSYQQWXMZBQ-GJZGRUSLSA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001332511488 873537958 /nfs/dbraw/zinc/53/79/58/873537958.db2.gz QHBFSYQQWXMZBQ-GJZGRUSLSA-N 2 1 351.499 0.439 20 0 FCADMP CCS(=O)(=O)CCCCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001333120697 873809810 /nfs/dbraw/zinc/80/98/10/873809810.db2.gz HIMPPGZKFHLXBV-UHFFFAOYSA-N 2 1 357.524 0.849 20 0 FCADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926149 948986849 /nfs/dbraw/zinc/98/68/49/948986849.db2.gz JJVUNHFZUVZWDK-ZDUSSCGKSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263594 949403147 /nfs/dbraw/zinc/40/31/47/949403147.db2.gz IHWYWICMFHODOI-DYVFJYSZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264207 949420988 /nfs/dbraw/zinc/42/09/88/949420988.db2.gz MWRGDUYSARDFMJ-CZUORRHYSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707657 949472364 /nfs/dbraw/zinc/47/23/64/949472364.db2.gz PRLZGVPRNIBQAA-YPMHNXCESA-N 2 1 363.491 0.959 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713106 949595623 /nfs/dbraw/zinc/59/56/23/949595623.db2.gz VYDRWWMHNCWHNE-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718455 949781801 /nfs/dbraw/zinc/78/18/01/949781801.db2.gz XKPXPRNLWIDSQN-UONOGXRCSA-N 2 1 372.477 0.817 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205162 950496168 /nfs/dbraw/zinc/49/61/68/950496168.db2.gz VSXINZYMYZYGGB-WBMJQRKESA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576205572 950523356 /nfs/dbraw/zinc/52/33/56/950523356.db2.gz KBBNJJFRDLRASA-CQSZACIVSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001570981093 950575553 /nfs/dbraw/zinc/57/55/53/950575553.db2.gz BOXFBAHNTATRMC-ZDUSSCGKSA-N 2 1 356.434 0.298 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207122 950590841 /nfs/dbraw/zinc/59/08/41/950590841.db2.gz CQHHOVIPFQGXFF-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207122 950590856 /nfs/dbraw/zinc/59/08/56/950590856.db2.gz CQHHOVIPFQGXFF-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207122 950590881 /nfs/dbraw/zinc/59/08/81/950590881.db2.gz CQHHOVIPFQGXFF-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983760 950695750 /nfs/dbraw/zinc/69/57/50/950695750.db2.gz SBTRKVYLPYKALA-CQSZACIVSA-N 2 1 356.434 0.313 20 0 FCADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC[NH+](C)C ZINC001574771476 950927084 /nfs/dbraw/zinc/92/70/84/950927084.db2.gz FPKPOSIXWOEXBD-LBPRGKRZSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC[NH+](C)C ZINC001574771476 950927097 /nfs/dbraw/zinc/92/70/97/950927097.db2.gz FPKPOSIXWOEXBD-LBPRGKRZSA-N 2 1 363.441 0.894 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004643 951151552 /nfs/dbraw/zinc/15/15/52/951151552.db2.gz OXRDIZYOSYRSMV-WCQYABFASA-N 2 1 361.475 0.713 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092028 951789826 /nfs/dbraw/zinc/78/98/26/951789826.db2.gz YGGLJMCHSCJOBA-CJNGLKHVSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092028 951789829 /nfs/dbraw/zinc/78/98/29/951789829.db2.gz YGGLJMCHSCJOBA-CJNGLKHVSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575146451 952193965 /nfs/dbraw/zinc/19/39/65/952193965.db2.gz LEYAYPWTXZUXQC-STQMWFEESA-N 2 1 358.450 0.284 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575146598 952195303 /nfs/dbraw/zinc/19/53/03/952195303.db2.gz LYTGVQFNLDOSEA-IHRRRGAJSA-N 2 1 372.477 0.673 20 0 FCADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCNC(=O)C1 ZINC000293432326 214173406 /nfs/dbraw/zinc/17/34/06/214173406.db2.gz UKCVDJNCRBCWHY-UHFFFAOYSA-N 2 1 370.497 0.933 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000410437478 529696946 /nfs/dbraw/zinc/69/69/46/529696946.db2.gz SPFOFDVBZBOHKC-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000410956081 529697055 /nfs/dbraw/zinc/69/70/55/529697055.db2.gz VURIPDWWZFAIFS-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000410956081 529697057 /nfs/dbraw/zinc/69/70/57/529697057.db2.gz VURIPDWWZFAIFS-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000410537009 529696725 /nfs/dbraw/zinc/69/67/25/529696725.db2.gz FESCOEIUMWUBPY-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1nccn1C[C@H](C)CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000265728860 210207740 /nfs/dbraw/zinc/20/77/40/210207740.db2.gz JULNYVWUIDCCJS-HIFRSBDPSA-N 2 1 350.467 0.467 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000265728860 210207742 /nfs/dbraw/zinc/20/77/42/210207742.db2.gz JULNYVWUIDCCJS-HIFRSBDPSA-N 2 1 350.467 0.467 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000262088018 529870413 /nfs/dbraw/zinc/87/04/13/529870413.db2.gz LGBGUHHOCBSXAW-UHFFFAOYSA-N 2 1 359.518 0.842 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1C ZINC000331473057 215002125 /nfs/dbraw/zinc/00/21/25/215002125.db2.gz WIVHBSNYLSZLSY-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1C ZINC000331473057 215002128 /nfs/dbraw/zinc/00/21/28/215002128.db2.gz WIVHBSNYLSZLSY-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000331526707 215009754 /nfs/dbraw/zinc/00/97/54/215009754.db2.gz GPMQCVCWNYLNDC-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)CC1 ZINC000331526707 215009756 /nfs/dbraw/zinc/00/97/56/215009756.db2.gz GPMQCVCWNYLNDC-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000331891012 215063820 /nfs/dbraw/zinc/06/38/20/215063820.db2.gz GNTZJMPUDFRTGM-YYIAUSFCSA-N 2 1 350.507 0.809 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000332155540 215101816 /nfs/dbraw/zinc/10/18/16/215101816.db2.gz ODTMZFLCVAAVFS-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP NC(=O)N1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264918174 210015877 /nfs/dbraw/zinc/01/58/77/210015877.db2.gz JFEUVFSWWKTNSN-UHFFFAOYSA-N 2 1 359.474 0.417 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000332406709 215146425 /nfs/dbraw/zinc/14/64/25/215146425.db2.gz PLKYKPDZYRSTJY-SJORKVTESA-N 2 1 366.506 0.141 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCCCC1 ZINC000286930790 213562616 /nfs/dbraw/zinc/56/26/16/213562616.db2.gz MPMVUKVOOHZLFI-CQSZACIVSA-N 2 1 364.494 0.341 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332405071 215146629 /nfs/dbraw/zinc/14/66/29/215146629.db2.gz OOPWTMZUFGTISV-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332405071 215146632 /nfs/dbraw/zinc/14/66/32/215146632.db2.gz OOPWTMZUFGTISV-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332413744 215148311 /nfs/dbraw/zinc/14/83/11/215148311.db2.gz SPHAUUAHTPPEDY-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332413744 215148315 /nfs/dbraw/zinc/14/83/15/215148315.db2.gz SPHAUUAHTPPEDY-ZOBUZTSGSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332416133 215148753 /nfs/dbraw/zinc/14/87/53/215148753.db2.gz UNZOEPOAZGDVLR-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332416133 215148756 /nfs/dbraw/zinc/14/87/56/215148756.db2.gz UNZOEPOAZGDVLR-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1C ZINC000286679729 213525007 /nfs/dbraw/zinc/52/50/07/213525007.db2.gz BLLQAMXLKRLWIO-CQSZACIVSA-N 2 1 366.510 0.585 20 0 FCADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000333065667 215231697 /nfs/dbraw/zinc/23/16/97/215231697.db2.gz ADZJUHIYBDSELX-HOTGVXAUSA-N 2 1 354.495 0.459 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000333139687 215240471 /nfs/dbraw/zinc/24/04/71/215240471.db2.gz YLYGNOGMJCXYDP-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000333139687 215240476 /nfs/dbraw/zinc/24/04/76/215240476.db2.gz YLYGNOGMJCXYDP-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000333139687 215240478 /nfs/dbraw/zinc/24/04/78/215240478.db2.gz YLYGNOGMJCXYDP-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000333401865 215276613 /nfs/dbraw/zinc/27/66/13/215276613.db2.gz QCXKWJOKUFTNLX-IXDOHACOSA-N 2 1 360.506 0.984 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333442134 215282539 /nfs/dbraw/zinc/28/25/39/215282539.db2.gz WFMBGRFTZBLYID-BRWVUGGUSA-N 2 1 367.538 0.563 20 0 FCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333595682 215299821 /nfs/dbraw/zinc/29/98/21/215299821.db2.gz OXZBJPGXQPYNDQ-CVEARBPZSA-N 2 1 354.495 0.685 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643545 215305019 /nfs/dbraw/zinc/30/50/19/215305019.db2.gz IRFZFDATXSGJMT-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852290 215324554 /nfs/dbraw/zinc/32/45/54/215324554.db2.gz QFXNNXZKYKCQCE-KZNAEPCWSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCCC1 ZINC000333849777 215324853 /nfs/dbraw/zinc/32/48/53/215324853.db2.gz WYYUTIQUUMGAAX-IRXDYDNUSA-N 2 1 365.522 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832984 215323454 /nfs/dbraw/zinc/32/34/54/215323454.db2.gz MUNGXRQFCXCDOE-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000334091188 215343356 /nfs/dbraw/zinc/34/33/56/215343356.db2.gz OBBZKCAHKMQFMP-QGZVFWFLSA-N 2 1 354.495 0.605 20 0 FCADMP O=C(NCCN1CCCOCC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000334091188 215343358 /nfs/dbraw/zinc/34/33/58/215343358.db2.gz OBBZKCAHKMQFMP-QGZVFWFLSA-N 2 1 354.495 0.605 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000360887460 215373042 /nfs/dbraw/zinc/37/30/42/215373042.db2.gz CWKNAZKHOWNPDS-IXDOHACOSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000360887460 215373046 /nfs/dbraw/zinc/37/30/46/215373046.db2.gz CWKNAZKHOWNPDS-IXDOHACOSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000360887460 215373048 /nfs/dbraw/zinc/37/30/48/215373048.db2.gz CWKNAZKHOWNPDS-IXDOHACOSA-N 2 1 353.511 0.032 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000360977254 215377838 /nfs/dbraw/zinc/37/78/38/215377838.db2.gz NCAPVXXAKXHXMZ-FGTMMUONSA-N 2 1 368.522 0.584 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000361106790 215380904 /nfs/dbraw/zinc/38/09/04/215380904.db2.gz OWGUWBATHZBYGU-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000361106790 215380908 /nfs/dbraw/zinc/38/09/08/215380908.db2.gz OWGUWBATHZBYGU-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000361106790 215380912 /nfs/dbraw/zinc/38/09/12/215380912.db2.gz OWGUWBATHZBYGU-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)CC1 ZINC000361215071 215385465 /nfs/dbraw/zinc/38/54/65/215385465.db2.gz MGIDJYAGTYWZJX-CQSZACIVSA-N 2 1 353.511 0.616 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)CC1 ZINC000361215070 215384919 /nfs/dbraw/zinc/38/49/19/215384919.db2.gz MGIDJYAGTYWZJX-AWEZNQCLSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000285016205 213267121 /nfs/dbraw/zinc/26/71/21/213267121.db2.gz UHRWMPOHIIZHBY-GJZGRUSLSA-N 2 1 350.463 0.989 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccco1 ZINC000284852173 213234998 /nfs/dbraw/zinc/23/49/98/213234998.db2.gz FBRFIUONQIPLSL-OAHLLOKOSA-N 2 1 350.463 0.989 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284556588 213168133 /nfs/dbraw/zinc/16/81/33/213168133.db2.gz VKNJGAUMGBPTJI-LSDHHAIUSA-N 2 1 350.463 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000284437125 213137770 /nfs/dbraw/zinc/13/77/70/213137770.db2.gz PAFLQGXKBWXFBS-MRXNPFEDSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356336 213119065 /nfs/dbraw/zinc/11/90/65/213119065.db2.gz AYAWPXQNGZFPAG-UONOGXRCSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356336 213119068 /nfs/dbraw/zinc/11/90/68/213119068.db2.gz AYAWPXQNGZFPAG-UONOGXRCSA-N 2 1 364.494 0.339 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1C ZINC000284319034 213110471 /nfs/dbraw/zinc/11/04/71/213110471.db2.gz CNDXOKDPYBRROX-UHFFFAOYSA-N 2 1 364.494 0.481 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284328430 213113278 /nfs/dbraw/zinc/11/32/78/213113278.db2.gz JRYWNDJCRYBPES-LSDHHAIUSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182843 213092916 /nfs/dbraw/zinc/09/29/16/213092916.db2.gz RDFACZLULVNBLZ-RDTXWAMCSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000284140552 213082255 /nfs/dbraw/zinc/08/22/55/213082255.db2.gz SISBWNIDPJZBRH-UHFFFAOYSA-N 2 1 352.483 0.337 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000284123756 213080290 /nfs/dbraw/zinc/08/02/90/213080290.db2.gz PWQQYVIYWRWPEH-KRWDZBQOSA-N 2 1 367.519 0.641 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2ccnc2)C[N@H+]1Cc1ccccc1 ZINC000283991954 213049457 /nfs/dbraw/zinc/04/94/57/213049457.db2.gz OQZSNZHJYGCXHZ-DOTOQJQBSA-N 2 1 355.442 0.779 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000283895952 213028972 /nfs/dbraw/zinc/02/89/72/213028972.db2.gz CZOLNWFIOKQBTF-HNNXBMFYSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000283832692 213015615 /nfs/dbraw/zinc/01/56/15/213015615.db2.gz BLPJYFRGGFUIRG-BZUAXINKSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000283832692 213015617 /nfs/dbraw/zinc/01/56/17/213015617.db2.gz BLPJYFRGGFUIRG-BZUAXINKSA-N 2 1 362.474 0.941 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2COC)cc1 ZINC000411913569 237103061 /nfs/dbraw/zinc/10/30/61/237103061.db2.gz ROESNYSMDAYPRL-MUGJNUQGSA-N 2 1 364.486 0.850 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000413126232 237277917 /nfs/dbraw/zinc/27/79/17/237277917.db2.gz SITRILUEPTUHJD-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000413126232 237277923 /nfs/dbraw/zinc/27/79/23/237277923.db2.gz SITRILUEPTUHJD-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413239650 237297333 /nfs/dbraw/zinc/29/73/33/237297333.db2.gz JGNGCNJBUWDAMU-OAHLLOKOSA-N 2 1 370.494 0.234 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000413347107 237322005 /nfs/dbraw/zinc/32/20/05/237322005.db2.gz KEPJQKUYSFGNQG-QGZVFWFLSA-N 2 1 374.551 0.412 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000413491714 237347057 /nfs/dbraw/zinc/34/70/57/237347057.db2.gz BNTZWXODZMFRNL-UHFFFAOYSA-N 2 1 368.522 0.849 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1=O ZINC000366959671 216056255 /nfs/dbraw/zinc/05/62/55/216056255.db2.gz FNPLJSQCIIKZLL-QXSJWSMHSA-N 2 1 354.470 0.478 20 0 FCADMP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367027822 216066349 /nfs/dbraw/zinc/06/63/49/216066349.db2.gz HFYMDQAMQZTYPO-GOSISDBHSA-N 2 1 364.534 0.775 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246344626 209385204 /nfs/dbraw/zinc/38/52/04/209385204.db2.gz VZJJIXZVTWKQEI-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246344626 209385207 /nfs/dbraw/zinc/38/52/07/209385207.db2.gz VZJJIXZVTWKQEI-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000246375938 209385252 /nfs/dbraw/zinc/38/52/52/209385252.db2.gz MZBOZJJFUKYMKA-ZWKOTPCHSA-N 2 1 358.486 0.912 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000246375938 209385255 /nfs/dbraw/zinc/38/52/55/209385255.db2.gz MZBOZJJFUKYMKA-ZWKOTPCHSA-N 2 1 358.486 0.912 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000246503669 209389981 /nfs/dbraw/zinc/38/99/81/209389981.db2.gz SUDIQHQXWRVSGJ-JKSUJKDBSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246503669 209389984 /nfs/dbraw/zinc/38/99/84/209389984.db2.gz SUDIQHQXWRVSGJ-JKSUJKDBSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246503669 209389989 /nfs/dbraw/zinc/38/99/89/209389989.db2.gz SUDIQHQXWRVSGJ-JKSUJKDBSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000246449627 209387405 /nfs/dbraw/zinc/38/74/05/209387405.db2.gz OLRQIVDOHXXCJD-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472497 209367078 /nfs/dbraw/zinc/36/70/78/209367078.db2.gz ZCMVQKSBOUPRRF-MSOLQXFVSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472497 209367082 /nfs/dbraw/zinc/36/70/82/209367082.db2.gz ZCMVQKSBOUPRRF-MSOLQXFVSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472497 209367083 /nfs/dbraw/zinc/36/70/83/209367083.db2.gz ZCMVQKSBOUPRRF-MSOLQXFVSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472497 209367086 /nfs/dbraw/zinc/36/70/86/209367086.db2.gz ZCMVQKSBOUPRRF-MSOLQXFVSA-N 2 1 374.485 0.331 20 0 FCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246145441 209378361 /nfs/dbraw/zinc/37/83/61/209378361.db2.gz OHGSAYIORONHFA-ZACQAIPSSA-N 2 1 354.495 0.459 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246145441 209378365 /nfs/dbraw/zinc/37/83/65/209378365.db2.gz OHGSAYIORONHFA-ZACQAIPSSA-N 2 1 354.495 0.459 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000238021161 209362987 /nfs/dbraw/zinc/36/29/87/209362987.db2.gz OPNZCBKTZJJLDU-MRXNPFEDSA-N 2 1 360.458 0.573 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237951545 209360914 /nfs/dbraw/zinc/36/09/14/209360914.db2.gz MVKHTFALXUXOGF-ROUUACIJSA-N 2 1 374.485 0.201 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237951545 209360919 /nfs/dbraw/zinc/36/09/19/209360919.db2.gz MVKHTFALXUXOGF-ROUUACIJSA-N 2 1 374.485 0.201 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000237912073 209360541 /nfs/dbraw/zinc/36/05/41/209360541.db2.gz MYPHIENRBCIMHI-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000237561889 209354320 /nfs/dbraw/zinc/35/43/20/209354320.db2.gz BAZUUWGBODHEIJ-GOEBONIOSA-N 2 1 355.504 0.775 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000236838530 209344172 /nfs/dbraw/zinc/34/41/72/209344172.db2.gz IHTNYLZSMHWOSA-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194048191 209321928 /nfs/dbraw/zinc/32/19/28/209321928.db2.gz ZDTLYGJRBJHVRV-UHFFFAOYSA-N 2 1 351.426 0.644 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194048191 209321931 /nfs/dbraw/zinc/32/19/31/209321931.db2.gz ZDTLYGJRBJHVRV-UHFFFAOYSA-N 2 1 351.426 0.644 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050425 216339921 /nfs/dbraw/zinc/33/99/21/216339921.db2.gz GZXBNKGZYAPORT-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050425 216339922 /nfs/dbraw/zinc/33/99/22/216339922.db2.gz GZXBNKGZYAPORT-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050425 216339926 /nfs/dbraw/zinc/33/99/26/216339926.db2.gz GZXBNKGZYAPORT-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407900 216398826 /nfs/dbraw/zinc/39/88/26/216398826.db2.gz NSXZGZYNLFDCOI-GOEBONIOSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402969 216398891 /nfs/dbraw/zinc/39/88/91/216398891.db2.gz SXRYYGCTCNBOHD-QZTJIDSGSA-N 2 1 366.554 0.044 20 0 FCADMP NCc1cc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)co1 ZINC000188153699 209223078 /nfs/dbraw/zinc/22/30/78/209223078.db2.gz VYNJRLZOCHCBFI-UHFFFAOYSA-N 2 1 356.426 0.813 20 0 FCADMP C[C@H](CO)[NH+](Cc1ccc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)cc1)C[C@H](C)O ZINC000276222842 212189233 /nfs/dbraw/zinc/18/92/33/212189233.db2.gz QRNDIYLINCRVKJ-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[N@H+](Cc1ccc(C[NH+](C[C@H](C)O)[C@@H](C)CO)cc1)C[C@H](C)O ZINC000276222842 212189237 /nfs/dbraw/zinc/18/92/37/212189237.db2.gz QRNDIYLINCRVKJ-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[N@@H+](Cc1ccc(C[NH+](C[C@H](C)O)[C@@H](C)CO)cc1)C[C@H](C)O ZINC000276222842 212189239 /nfs/dbraw/zinc/18/92/39/212189239.db2.gz QRNDIYLINCRVKJ-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[NH+](Cc1ccccc1C[N@H+](C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188194 /nfs/dbraw/zinc/18/81/94/212188194.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[N@H+](Cc1ccccc1C[NH+](C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188198 /nfs/dbraw/zinc/18/81/98/212188198.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CO)[N@@H+](Cc1ccccc1C[NH+](C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188201 /nfs/dbraw/zinc/18/82/01/212188201.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 2 1 368.518 0.814 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275802856 212093598 /nfs/dbraw/zinc/09/35/98/212093598.db2.gz XJBSYSLEKBGHID-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000275802856 212093600 /nfs/dbraw/zinc/09/36/00/212093600.db2.gz XJBSYSLEKBGHID-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548750 212048670 /nfs/dbraw/zinc/04/86/70/212048670.db2.gz DZDSCGYYSSVGAN-MOPGFXCFSA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275548750 212048676 /nfs/dbraw/zinc/04/86/76/212048676.db2.gz DZDSCGYYSSVGAN-MOPGFXCFSA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275548750 212048679 /nfs/dbraw/zinc/04/86/79/212048679.db2.gz DZDSCGYYSSVGAN-MOPGFXCFSA-N 2 1 374.533 0.791 20 0 FCADMP COCCC[N@@H+](CCO)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000275416510 212022791 /nfs/dbraw/zinc/02/27/91/212022791.db2.gz GXNMRTRDVZKSNQ-UHFFFAOYSA-N 2 1 363.502 0.970 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000931486183 674117211 /nfs/dbraw/zinc/11/72/11/674117211.db2.gz XPMPTQOIUWEJAA-UHFFFAOYSA-N 2 1 353.438 0.709 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000415090241 245345198 /nfs/dbraw/zinc/34/51/98/245345198.db2.gz XSGYPDHYIJGUOS-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000415090241 245345209 /nfs/dbraw/zinc/34/52/09/245345209.db2.gz XSGYPDHYIJGUOS-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000415069356 245346007 /nfs/dbraw/zinc/34/60/07/245346007.db2.gz SFWKOVPQOBOFPM-CQSZACIVSA-N 2 1 363.462 0.942 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415126432 245349588 /nfs/dbraw/zinc/34/95/88/245349588.db2.gz MDDXYTWTEUKQHY-AWEZNQCLSA-N 2 1 360.458 0.907 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415233181 245366120 /nfs/dbraw/zinc/36/61/20/245366120.db2.gz VFINOMGCNHEMMW-UHFFFAOYSA-N 2 1 361.490 0.271 20 0 FCADMP CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC[NH+](C)C ZINC000415233181 245366129 /nfs/dbraw/zinc/36/61/29/245366129.db2.gz VFINOMGCNHEMMW-UHFFFAOYSA-N 2 1 361.490 0.271 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415276307 245377700 /nfs/dbraw/zinc/37/77/00/245377700.db2.gz WTPUKKLRVDYCRC-ZBFHGGJFSA-N 2 1 360.458 0.968 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931567874 674120259 /nfs/dbraw/zinc/12/02/59/674120259.db2.gz ZGLCASSHLCUCRD-HUUCEWRRSA-N 2 1 350.467 0.508 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000373505376 217025977 /nfs/dbraw/zinc/02/59/77/217025977.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373505376 217025979 /nfs/dbraw/zinc/02/59/79/217025979.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373505376 217025981 /nfs/dbraw/zinc/02/59/81/217025981.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373505376 217025983 /nfs/dbraw/zinc/02/59/83/217025983.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373505376 217025984 /nfs/dbraw/zinc/02/59/84/217025984.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076054 209157580 /nfs/dbraw/zinc/15/75/80/209157580.db2.gz LIMCNEXFEXBUOA-WMZOPIPTSA-N 2 1 352.523 0.772 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933202 217075986 /nfs/dbraw/zinc/07/59/86/217075986.db2.gz IDAGERVLUFZNDE-AWEZNQCLSA-N 2 1 366.487 0.232 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075966 217092738 /nfs/dbraw/zinc/09/27/38/217092738.db2.gz YMLDAMIQBHHCTF-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000374251894 217114451 /nfs/dbraw/zinc/11/44/51/217114451.db2.gz ZZCXGMAXZIQMKR-IRXDYDNUSA-N 2 1 367.538 0.253 20 0 FCADMP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000183249047 209143675 /nfs/dbraw/zinc/14/36/75/209143675.db2.gz IOSIFODBXQYIQJ-INIZCTEOSA-N 2 1 350.463 0.551 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417049769 245666219 /nfs/dbraw/zinc/66/62/19/245666219.db2.gz VCJGDZGUHDBRLD-DLBZAZTESA-N 2 1 367.538 0.995 20 0 FCADMP Cc1nnc(COCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000375745508 217308122 /nfs/dbraw/zinc/30/81/22/217308122.db2.gz QTJVJJPEPRXTHW-CYBMUJFWSA-N 2 1 353.492 0.648 20 0 FCADMP C[NH+]1CCC(C)(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376269487 217377382 /nfs/dbraw/zinc/37/73/82/217377382.db2.gz IEUYTHKOXOIZTH-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434749 217399252 /nfs/dbraw/zinc/39/92/52/217399252.db2.gz JGUCBDZDYNCVLJ-IRXDYDNUSA-N 2 1 367.538 0.517 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419043471 245953318 /nfs/dbraw/zinc/95/33/18/245953318.db2.gz REDDMEOMNCSGNW-ZACQAIPSSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419126699 246001308 /nfs/dbraw/zinc/00/13/08/246001308.db2.gz NRJCOHPOMJMMMA-IKGGRYGDSA-N 2 1 367.538 0.008 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCN(C)CC1 ZINC000419128610 246003455 /nfs/dbraw/zinc/00/34/55/246003455.db2.gz WPNJJHPKJSDMOG-INIZCTEOSA-N 2 1 367.538 0.152 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000419128815 246004334 /nfs/dbraw/zinc/00/43/34/246004334.db2.gz XEGRWUVINYEYJJ-IAGOWNOFSA-N 2 1 367.538 0.008 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419151140 246019990 /nfs/dbraw/zinc/01/99/90/246019990.db2.gz NDHSEYHILGBUGC-KBPBESRZSA-N 2 1 350.488 0.636 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419155490 246021900 /nfs/dbraw/zinc/02/19/00/246021900.db2.gz UALQQYGUNKTKMC-OAHLLOKOSA-N 2 1 364.515 0.898 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419155488 246022248 /nfs/dbraw/zinc/02/22/48/246022248.db2.gz UALQQYGUNKTKMC-HNNXBMFYSA-N 2 1 364.515 0.898 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158029 246024146 /nfs/dbraw/zinc/02/41/46/246024146.db2.gz XEKWCAYUWWMDMY-KGLIPLIRSA-N 2 1 352.504 0.882 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419159309 246025147 /nfs/dbraw/zinc/02/51/47/246025147.db2.gz XBIVJSNYWPTZDK-ZACQAIPSSA-N 2 1 352.523 0.914 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132502 246006790 /nfs/dbraw/zinc/00/67/90/246006790.db2.gz BOGXWHZZSLRYMF-RDJZCZTQSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419131828 246006934 /nfs/dbraw/zinc/00/69/34/246006934.db2.gz GYRRTRSCSGXGAO-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000419134978 246009731 /nfs/dbraw/zinc/00/97/31/246009731.db2.gz LMSSJIHQMNHROY-INIZCTEOSA-N 2 1 359.474 0.685 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419140347 246011011 /nfs/dbraw/zinc/01/10/11/246011011.db2.gz VSWGNZKBYLVFFC-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000419137574 246012118 /nfs/dbraw/zinc/01/21/18/246012118.db2.gz QYRZKGFFYWORQR-GOEBONIOSA-N 2 1 359.474 0.719 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419143062 246013781 /nfs/dbraw/zinc/01/37/81/246013781.db2.gz YRQXFQFSSNACNA-AEFFLSMTSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144336 246013911 /nfs/dbraw/zinc/01/39/11/246013911.db2.gz GRXIIPUANJIJBN-HUUCEWRRSA-N 2 1 364.515 0.945 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000419150809 246017508 /nfs/dbraw/zinc/01/75/08/246017508.db2.gz LUMCZEXEYQVBQA-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166133 246028238 /nfs/dbraw/zinc/02/82/38/246028238.db2.gz ONPAHIFOOLZWJD-ROUUACIJSA-N 2 1 374.485 0.247 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168997 246030616 /nfs/dbraw/zinc/03/06/16/246030616.db2.gz TXYUXXUKYUBUKA-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419170899 246031814 /nfs/dbraw/zinc/03/18/14/246031814.db2.gz OGMZTROLVAXXRI-NQIIRXRSSA-N 2 1 372.513 0.865 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000419178761 246037908 /nfs/dbraw/zinc/03/79/08/246037908.db2.gz GYAVIOWZHDSXPQ-IAGOWNOFSA-N 2 1 366.506 0.476 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419185222 246041137 /nfs/dbraw/zinc/04/11/37/246041137.db2.gz OMWJAPRAEPEUDP-IAGOWNOFSA-N 2 1 366.506 0.394 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)CCC(F)(F)F ZINC000419208044 246055131 /nfs/dbraw/zinc/05/51/31/246055131.db2.gz NSXFTBZRGSVDSY-RYUDHWBXSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)CCC(F)(F)F ZINC000419208044 246055134 /nfs/dbraw/zinc/05/51/34/246055134.db2.gz NSXFTBZRGSVDSY-RYUDHWBXSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419209741 246057703 /nfs/dbraw/zinc/05/77/03/246057703.db2.gz PVZDWBQPJWNYTP-OLZOCXBDSA-N 2 1 364.412 0.445 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419209741 246057708 /nfs/dbraw/zinc/05/77/08/246057708.db2.gz PVZDWBQPJWNYTP-OLZOCXBDSA-N 2 1 364.412 0.445 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419213891 246059550 /nfs/dbraw/zinc/05/95/50/246059550.db2.gz WYNFTPISSCGDJT-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419223445 246061520 /nfs/dbraw/zinc/06/15/20/246061520.db2.gz CYOBNQLIYGSBQM-KBAYOESNSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419222030 246061670 /nfs/dbraw/zinc/06/16/70/246061670.db2.gz WPOCOMGMHWQLBE-IYBDPMFKSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419226223 246063662 /nfs/dbraw/zinc/06/36/62/246063662.db2.gz DFIZSMOFXXFPMB-MRXNPFEDSA-N 2 1 370.497 0.975 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419226223 246063670 /nfs/dbraw/zinc/06/36/70/246063670.db2.gz DFIZSMOFXXFPMB-MRXNPFEDSA-N 2 1 370.497 0.975 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000419227839 246066404 /nfs/dbraw/zinc/06/64/04/246066404.db2.gz LJNWLKGWHZBZKU-BRWVUGGUSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419229095 246066510 /nfs/dbraw/zinc/06/65/10/246066510.db2.gz NNWHFQZIXBZGQO-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229635 246066867 /nfs/dbraw/zinc/06/68/67/246066867.db2.gz PBMDQZBLCDRWJR-NVXWUHKLSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205946 246052069 /nfs/dbraw/zinc/05/20/69/246052069.db2.gz JXLVNHYPEXIWIG-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419228255 246067686 /nfs/dbraw/zinc/06/76/86/246067686.db2.gz GRGFCZHOYVTWJS-IIDMSEBBSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419228255 246067690 /nfs/dbraw/zinc/06/76/90/246067690.db2.gz GRGFCZHOYVTWJS-IIDMSEBBSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228601 246068980 /nfs/dbraw/zinc/06/89/80/246068980.db2.gz MLVAIFVONPNJSL-LZLYRXPVSA-N 2 1 358.486 0.834 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419235294 246070791 /nfs/dbraw/zinc/07/07/91/246070791.db2.gz YTBGYZWSCZNOPZ-XMTFNYHQSA-N 2 1 362.518 0.871 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419249239 246077070 /nfs/dbraw/zinc/07/70/70/246077070.db2.gz YHGXNOHYDJDZES-UMVBOHGHSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419249239 246077073 /nfs/dbraw/zinc/07/70/73/246077073.db2.gz YHGXNOHYDJDZES-UMVBOHGHSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000419294367 246089914 /nfs/dbraw/zinc/08/99/14/246089914.db2.gz BPYADGYIXFJTGE-RDJZCZTQSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)[nH+]c1 ZINC000419303317 246091610 /nfs/dbraw/zinc/09/16/10/246091610.db2.gz RQHUCZNCFSKFHY-ZBFHGGJFSA-N 2 1 359.474 0.732 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399703 246133938 /nfs/dbraw/zinc/13/39/38/246133938.db2.gz KEZPGGIMYXJYBO-BMGDILEWSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399419 246135697 /nfs/dbraw/zinc/13/56/97/246135697.db2.gz JUJXCOCOFBIANF-HIFRSBDPSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399419 246135700 /nfs/dbraw/zinc/13/57/00/246135700.db2.gz JUJXCOCOFBIANF-HIFRSBDPSA-N 2 1 368.428 0.723 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000419405449 246140136 /nfs/dbraw/zinc/14/01/36/246140136.db2.gz HMCLYDORGXBJHP-QLFBSQMISA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000419407265 246140789 /nfs/dbraw/zinc/14/07/89/246140789.db2.gz JYLXNGTYDFLZJU-LCGIIJARSA-N 2 1 364.515 0.971 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419408020 246140865 /nfs/dbraw/zinc/14/08/65/246140865.db2.gz LFMXBSLAXHLGHV-TWMKSMIVSA-N 2 1 352.523 0.914 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408668 246141595 /nfs/dbraw/zinc/14/15/95/246141595.db2.gz CTQGWNOCCVOWEK-OKZBNKHCSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408668 246141599 /nfs/dbraw/zinc/14/15/99/246141599.db2.gz CTQGWNOCCVOWEK-OKZBNKHCSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409920 246144708 /nfs/dbraw/zinc/14/47/08/246144708.db2.gz FUQTXVYXILIORA-IRXDYDNUSA-N 2 1 362.474 0.118 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409920 246144714 /nfs/dbraw/zinc/14/47/14/246144714.db2.gz FUQTXVYXILIORA-IRXDYDNUSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419421530 246154574 /nfs/dbraw/zinc/15/45/74/246154574.db2.gz LMJWVCVGUHLFSY-CVEARBPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419425341 246155970 /nfs/dbraw/zinc/15/59/70/246155970.db2.gz PJEAEAHTFBXBQB-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419419910 246151275 /nfs/dbraw/zinc/15/12/75/246151275.db2.gz ZOBNBLHIGXGLCZ-ZWKOTPCHSA-N 2 1 374.485 0.126 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419418949 246151608 /nfs/dbraw/zinc/15/16/08/246151608.db2.gz YUQRPVLIPHVPPM-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000419508980 246185046 /nfs/dbraw/zinc/18/50/46/246185046.db2.gz DQECVNZVYSEPFI-MRXNPFEDSA-N 2 1 360.458 0.877 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419510900 246185410 /nfs/dbraw/zinc/18/54/10/246185410.db2.gz WSFJVXWNTYLZNI-SOLBZPMBSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513677 246187792 /nfs/dbraw/zinc/18/77/92/246187792.db2.gz MPONIKNFTBVSTQ-CVEARBPZSA-N 2 1 362.474 0.957 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419530618 246192254 /nfs/dbraw/zinc/19/22/54/246192254.db2.gz JNLMANSLXHKWPA-YJBOKZPZSA-N 2 1 356.470 0.659 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419474878 246177288 /nfs/dbraw/zinc/17/72/88/246177288.db2.gz CTMQCAYDUZQQAC-HRCADAONSA-N 2 1 368.522 0.986 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419532450 246194680 /nfs/dbraw/zinc/19/46/80/246194680.db2.gz MSYPUBSFHMDDGV-NXHRZFHOSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419532196 246196136 /nfs/dbraw/zinc/19/61/36/246196136.db2.gz MSHXZVIGIFNCIQ-NXHRZFHOSA-N 2 1 374.485 0.118 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419539902 246198168 /nfs/dbraw/zinc/19/81/68/246198168.db2.gz QCDDRKPIPLMFFK-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419722233 246269397 /nfs/dbraw/zinc/26/93/97/246269397.db2.gz LVWRUAWNUQXKSL-AWEZNQCLSA-N 2 1 366.412 0.524 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000419691727 246251622 /nfs/dbraw/zinc/25/16/22/246251622.db2.gz ABKSHFFRWKPVJP-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419695280 246253965 /nfs/dbraw/zinc/25/39/65/246253965.db2.gz KSWZHHWWEIMNET-BRWVUGGUSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419701884 246256128 /nfs/dbraw/zinc/25/61/28/246256128.db2.gz BJHHSGLBPDECLS-KYHPRHEASA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419704102 246258810 /nfs/dbraw/zinc/25/88/10/246258810.db2.gz GABRMOHQNWYGNA-SYNHAJSKSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000419763967 246288309 /nfs/dbraw/zinc/28/83/09/246288309.db2.gz OUHJDZPUTUFDIY-FUHWJXTLSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762351 246288528 /nfs/dbraw/zinc/28/85/28/246288528.db2.gz RSVSWPQGUHKYID-ZBFHGGJFSA-N 2 1 364.465 0.960 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000419761943 246289467 /nfs/dbraw/zinc/28/94/67/246289467.db2.gz QQASTCQKIWQKFP-IBGZPJMESA-N 2 1 362.449 0.586 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000419766916 246290697 /nfs/dbraw/zinc/29/06/97/246290697.db2.gz ZMNFMYZJVPELDO-RHSMWYFYSA-N 2 1 364.465 0.960 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419805244 246301145 /nfs/dbraw/zinc/30/11/45/246301145.db2.gz PVQHVCPSDKIICW-UHFFFAOYSA-N 2 1 361.490 0.979 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419869046 246338392 /nfs/dbraw/zinc/33/83/92/246338392.db2.gz RGOUTPURVKCCHQ-IIDMSEBBSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419869046 246338399 /nfs/dbraw/zinc/33/83/99/246338399.db2.gz RGOUTPURVKCCHQ-IIDMSEBBSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419843916 246316930 /nfs/dbraw/zinc/31/69/30/246316930.db2.gz KLBFVUKHEHKMLJ-HDICACEKSA-N 2 1 370.497 0.835 20 0 FCADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419845990 246317643 /nfs/dbraw/zinc/31/76/43/246317643.db2.gz GGZCMFZMJRXQST-UHFFFAOYSA-N 2 1 350.488 0.303 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419853753 246324338 /nfs/dbraw/zinc/32/43/38/246324338.db2.gz AYPMUPQLCNREJC-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419853753 246324344 /nfs/dbraw/zinc/32/43/44/246324344.db2.gz AYPMUPQLCNREJC-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419858090 246327764 /nfs/dbraw/zinc/32/77/64/246327764.db2.gz HLSAGTMJHAEPRH-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419865506 246336260 /nfs/dbraw/zinc/33/62/60/246336260.db2.gz PHQXPZPBGWULAU-KRWDZBQOSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419865506 246336266 /nfs/dbraw/zinc/33/62/66/246336266.db2.gz PHQXPZPBGWULAU-KRWDZBQOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923240 246370769 /nfs/dbraw/zinc/37/07/69/246370769.db2.gz GHDSKTZZVZVMEI-QAPCUYQASA-N 2 1 374.485 0.514 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419882988 246347390 /nfs/dbraw/zinc/34/73/90/246347390.db2.gz CXEGUTUQTATEIR-AEFFLSMTSA-N 2 1 373.501 0.763 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419882991 246348816 /nfs/dbraw/zinc/34/88/16/246348816.db2.gz CXEGUTUQTATEIR-SJLPKXTDSA-N 2 1 373.501 0.763 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419886543 246352842 /nfs/dbraw/zinc/35/28/42/246352842.db2.gz PSNALMWKLSOJFS-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419886543 246352847 /nfs/dbraw/zinc/35/28/47/246352847.db2.gz PSNALMWKLSOJFS-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419891947 246353570 /nfs/dbraw/zinc/35/35/70/246353570.db2.gz UMWRDULORCUKPT-OTWHNJEPSA-N 2 1 370.497 0.978 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419890749 246355176 /nfs/dbraw/zinc/35/51/76/246355176.db2.gz MZWWZPODHHPWIP-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419890749 246355186 /nfs/dbraw/zinc/35/51/86/246355186.db2.gz MZWWZPODHHPWIP-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419893940 246356647 /nfs/dbraw/zinc/35/66/47/246356647.db2.gz MZTPJFBHEOWQSS-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419899888 246360289 /nfs/dbraw/zinc/36/02/89/246360289.db2.gz ZSFRYJOJSKSCEM-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419947479 246383598 /nfs/dbraw/zinc/38/35/98/246383598.db2.gz CPPWMVCHSLYUIH-HNNXBMFYSA-N 2 1 366.531 0.924 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419960420 246387351 /nfs/dbraw/zinc/38/73/51/246387351.db2.gz RRIURYLHKFKWSG-INMHGKMJSA-N 2 1 350.507 0.951 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419962989 246391781 /nfs/dbraw/zinc/39/17/81/246391781.db2.gz VTHJYJQWCGJYSZ-HRCADAONSA-N 2 1 368.522 0.435 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967158 246393280 /nfs/dbraw/zinc/39/32/80/246393280.db2.gz APFOJLVFQXUWNA-GOEBONIOSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419967158 246393289 /nfs/dbraw/zinc/39/32/89/246393289.db2.gz APFOJLVFQXUWNA-GOEBONIOSA-N 2 1 368.522 0.314 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419965846 246393651 /nfs/dbraw/zinc/39/36/51/246393651.db2.gz KKJHVFIHGNKIPO-QGZVFWFLSA-N 2 1 367.538 0.106 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000419977730 246399600 /nfs/dbraw/zinc/39/96/00/246399600.db2.gz NBBFURJOSDDVFI-HUUCEWRRSA-N 2 1 354.495 0.188 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000420073578 246452117 /nfs/dbraw/zinc/45/21/17/246452117.db2.gz YISLCZCNZMGKBD-CVEARBPZSA-N 2 1 359.474 0.672 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000423379403 247014927 /nfs/dbraw/zinc/01/49/27/247014927.db2.gz LVIOAMFVYSWQOC-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[N@H+]1C ZINC000423379403 247014930 /nfs/dbraw/zinc/01/49/30/247014930.db2.gz LVIOAMFVYSWQOC-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC[N@@H+]1C ZINC000423381747 247015821 /nfs/dbraw/zinc/01/58/21/247015821.db2.gz OBCDWAYASWPVCH-ZACQAIPSSA-N 2 1 366.506 0.140 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC[N@H+]1C ZINC000423381747 247015825 /nfs/dbraw/zinc/01/58/25/247015825.db2.gz OBCDWAYASWPVCH-ZACQAIPSSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423385065 247017051 /nfs/dbraw/zinc/01/70/51/247017051.db2.gz LLFUCVLRVHNOKY-RYRKJORJSA-N 2 1 374.485 0.294 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423385065 247017058 /nfs/dbraw/zinc/01/70/58/247017058.db2.gz LLFUCVLRVHNOKY-RYRKJORJSA-N 2 1 374.485 0.294 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000423454429 247031046 /nfs/dbraw/zinc/03/10/46/247031046.db2.gz YYXYGRBVCWBWJX-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423479425 247034580 /nfs/dbraw/zinc/03/45/80/247034580.db2.gz VEDFTMBMLZFRML-LSDHHAIUSA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000423479425 247034584 /nfs/dbraw/zinc/03/45/84/247034584.db2.gz VEDFTMBMLZFRML-LSDHHAIUSA-N 2 1 356.511 0.122 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423500060 247036774 /nfs/dbraw/zinc/03/67/74/247036774.db2.gz KBDRNIUCWZTOLI-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423615931 247076998 /nfs/dbraw/zinc/07/69/98/247076998.db2.gz RLLLJIOPXNJANJ-SFHVURJKSA-N 2 1 358.486 0.584 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639975 247087577 /nfs/dbraw/zinc/08/75/77/247087577.db2.gz VXDYEFBLSCONID-STQMWFEESA-N 2 1 352.401 0.048 20 0 FCADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000423758132 247138788 /nfs/dbraw/zinc/13/87/88/247138788.db2.gz JKFLCABDGUHTNM-UHFFFAOYSA-N 2 1 359.536 0.876 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861485 247145375 /nfs/dbraw/zinc/14/53/75/247145375.db2.gz COADEDWUFXKXFT-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423975146 247157102 /nfs/dbraw/zinc/15/71/02/247157102.db2.gz CFYJLQJZVZYPHA-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423716665 247121566 /nfs/dbraw/zinc/12/15/66/247121566.db2.gz ANNJLYXWNMXKPX-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423716665 247121572 /nfs/dbraw/zinc/12/15/72/247121572.db2.gz ANNJLYXWNMXKPX-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP COCC[C@@]1(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC[NH2+]C1 ZINC000423740243 247134621 /nfs/dbraw/zinc/13/46/21/247134621.db2.gz IRXYXUVBISNCHB-MJGOQNOKSA-N 2 1 352.523 0.631 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000424136203 247172509 /nfs/dbraw/zinc/17/25/09/247172509.db2.gz ADYOMSILLSMOET-HUUCEWRRSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000424136203 247172515 /nfs/dbraw/zinc/17/25/15/247172515.db2.gz ADYOMSILLSMOET-HUUCEWRRSA-N 2 1 350.467 0.385 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424163871 247174741 /nfs/dbraw/zinc/17/47/41/247174741.db2.gz YFUJMSFAAGLZEA-KGLIPLIRSA-N 2 1 362.478 0.194 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218258 247177776 /nfs/dbraw/zinc/17/77/76/247177776.db2.gz RUYCWEAZDKMWAX-OKZBNKHCSA-N 2 1 356.470 0.588 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492023 247237491 /nfs/dbraw/zinc/23/74/91/247237491.db2.gz GQAHWRFFAZINCN-RCCFBDPRSA-N 2 1 356.470 0.669 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492251 247237516 /nfs/dbraw/zinc/23/75/16/247237516.db2.gz HFXSNYZARYDLTI-DSLXNQLJSA-N 2 1 370.497 0.915 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424441917 247215420 /nfs/dbraw/zinc/21/54/20/247215420.db2.gz BNCGULSEUJHVGO-UHFFFAOYSA-N 2 1 362.474 0.914 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000424449091 247222059 /nfs/dbraw/zinc/22/20/59/247222059.db2.gz QZVNDSOIDFGZNF-UHFFFAOYSA-N 2 1 374.485 0.840 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1 ZINC000424449987 247222166 /nfs/dbraw/zinc/22/21/66/247222166.db2.gz VDWCRQXIAASXKR-UHFFFAOYSA-N 2 1 362.474 0.914 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000424537417 247255528 /nfs/dbraw/zinc/25/55/28/247255528.db2.gz CFTWSECVRHMWCS-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000424549641 247259835 /nfs/dbraw/zinc/25/98/35/247259835.db2.gz RXHZNMLZLFPIAI-DLBZAZTESA-N 2 1 356.470 0.717 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@@H]1C ZINC000425396795 247334524 /nfs/dbraw/zinc/33/45/24/247334524.db2.gz ZHYSHNSHOQTOBG-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H]1C ZINC000425396795 247334526 /nfs/dbraw/zinc/33/45/26/247334526.db2.gz ZHYSHNSHOQTOBG-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H]1C ZINC000425396795 247334528 /nfs/dbraw/zinc/33/45/28/247334528.db2.gz ZHYSHNSHOQTOBG-MWDXBVQZSA-N 2 1 350.507 0.870 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000425398055 247335372 /nfs/dbraw/zinc/33/53/72/247335372.db2.gz HPTLRSBNKOMPHG-INIZCTEOSA-N 2 1 368.522 0.497 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000425398055 247335376 /nfs/dbraw/zinc/33/53/76/247335376.db2.gz HPTLRSBNKOMPHG-INIZCTEOSA-N 2 1 368.522 0.497 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000425408014 247337296 /nfs/dbraw/zinc/33/72/96/247337296.db2.gz WOFLARGSIJIVRP-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000425408014 247337298 /nfs/dbraw/zinc/33/72/98/247337298.db2.gz WOFLARGSIJIVRP-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425214847 247307289 /nfs/dbraw/zinc/30/72/89/247307289.db2.gz KRQJTUVKZFVFEQ-JKSUJKDBSA-N 2 1 369.535 0.776 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@H]([NH3+])C1 ZINC000430607184 247712741 /nfs/dbraw/zinc/71/27/41/247712741.db2.gz BOCHNGUTYSVXDM-APWZRJJASA-N 2 1 360.502 0.947 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380976 247860024 /nfs/dbraw/zinc/86/00/24/247860024.db2.gz GSPOMYAWYJLUJP-QGZVFWFLSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380976 247860026 /nfs/dbraw/zinc/86/00/26/247860026.db2.gz GSPOMYAWYJLUJP-QGZVFWFLSA-N 2 1 354.458 0.991 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)n1C ZINC000435543881 248000023 /nfs/dbraw/zinc/00/00/23/248000023.db2.gz MWWUUEYDJXLUDF-UHFFFAOYSA-N 2 1 352.483 0.738 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000436065400 248030408 /nfs/dbraw/zinc/03/04/08/248030408.db2.gz XPFAWQXIQXYZFK-YESZJQIVSA-N 2 1 366.506 0.476 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000436065400 248030412 /nfs/dbraw/zinc/03/04/12/248030412.db2.gz XPFAWQXIQXYZFK-YESZJQIVSA-N 2 1 366.506 0.476 20 0 FCADMP Cc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436063613 248031372 /nfs/dbraw/zinc/03/13/72/248031372.db2.gz UPCFSLHIZCZFQW-SFHVURJKSA-N 2 1 360.502 0.973 20 0 FCADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436063613 248031374 /nfs/dbraw/zinc/03/13/74/248031374.db2.gz UPCFSLHIZCZFQW-SFHVURJKSA-N 2 1 360.502 0.973 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000439202416 248114498 /nfs/dbraw/zinc/11/44/98/248114498.db2.gz FSRKGZRWGNSBTM-JKSUJKDBSA-N 2 1 354.495 0.236 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000440794935 248214424 /nfs/dbraw/zinc/21/44/24/248214424.db2.gz HMEYDUFEVOCOLT-UYSNPLJNSA-N 2 1 353.511 0.746 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446369851 248387776 /nfs/dbraw/zinc/38/77/76/248387776.db2.gz OSYWKLXZSMOPMY-SIXWZSSISA-N 2 1 366.506 0.188 20 0 FCADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)CN1CC[NH+](C)CC1 ZINC000446376747 248387894 /nfs/dbraw/zinc/38/78/94/248387894.db2.gz LPQFTAKOLZLPOR-PASDCYSWSA-N 2 1 352.523 0.519 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000453805827 249370250 /nfs/dbraw/zinc/37/02/50/249370250.db2.gz LVJLOIFBPMXCRO-KRWDZBQOSA-N 2 1 371.441 0.774 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000459928632 249792482 /nfs/dbraw/zinc/79/24/82/249792482.db2.gz YBNYWIXUBNOCCP-KRWDZBQOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270806367 211271760 /nfs/dbraw/zinc/27/17/60/211271760.db2.gz XFBVXQATEHLXRH-QAPCUYQASA-N 2 1 373.501 0.898 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270806367 211271765 /nfs/dbraw/zinc/27/17/65/211271765.db2.gz XFBVXQATEHLXRH-QAPCUYQASA-N 2 1 373.501 0.898 20 0 FCADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000469990911 250019265 /nfs/dbraw/zinc/01/92/65/250019265.db2.gz KTZSLOOBHSFCFZ-INIZCTEOSA-N 2 1 363.458 0.915 20 0 FCADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470019449 250021009 /nfs/dbraw/zinc/02/10/09/250021009.db2.gz UAYBBMNUZVAXSA-INIZCTEOSA-N 2 1 362.474 0.441 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000471216189 250093136 /nfs/dbraw/zinc/09/31/36/250093136.db2.gz OFBANNWXTNAJMS-UHFFFAOYSA-N 2 1 361.490 0.683 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000471662259 250113491 /nfs/dbraw/zinc/11/34/91/250113491.db2.gz BLKWEJFMPOMMKV-LJQANCHMSA-N 2 1 364.490 0.501 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000472210037 250139597 /nfs/dbraw/zinc/13/95/97/250139597.db2.gz QGEJWJHUBCSFFQ-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000472210037 250139599 /nfs/dbraw/zinc/13/95/99/250139599.db2.gz QGEJWJHUBCSFFQ-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000473002031 250192964 /nfs/dbraw/zinc/19/29/64/250192964.db2.gz POSVYJVSLUCKKR-IRXDYDNUSA-N 2 1 356.511 0.849 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000474034832 250266009 /nfs/dbraw/zinc/26/60/09/250266009.db2.gz MYCVXNWGDIRAJE-INIZCTEOSA-N 2 1 356.511 0.489 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000480942866 250298987 /nfs/dbraw/zinc/29/89/87/250298987.db2.gz WIUGTCWHVAQTNY-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000480942866 250298988 /nfs/dbraw/zinc/29/89/88/250298988.db2.gz WIUGTCWHVAQTNY-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000480942866 250298992 /nfs/dbraw/zinc/29/89/92/250298992.db2.gz WIUGTCWHVAQTNY-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000480979130 250304941 /nfs/dbraw/zinc/30/49/41/250304941.db2.gz LGLZCVBBUOCJFE-NXOAAHMSSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000481023055 250309106 /nfs/dbraw/zinc/30/91/06/250309106.db2.gz ZZQXVPALAPVUHP-FZKCQIBNSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000481023055 250309112 /nfs/dbraw/zinc/30/91/12/250309112.db2.gz ZZQXVPALAPVUHP-FZKCQIBNSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000481023055 250309116 /nfs/dbraw/zinc/30/91/16/250309116.db2.gz ZZQXVPALAPVUHP-FZKCQIBNSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000481203652 250321146 /nfs/dbraw/zinc/32/11/46/250321146.db2.gz SSRQRFYWCCPTRX-BZUAXINKSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000481203652 250321150 /nfs/dbraw/zinc/32/11/50/250321150.db2.gz SSRQRFYWCCPTRX-BZUAXINKSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000481203652 250321154 /nfs/dbraw/zinc/32/11/54/250321154.db2.gz SSRQRFYWCCPTRX-BZUAXINKSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739677 250351756 /nfs/dbraw/zinc/35/17/56/250351756.db2.gz IVIPRSXRBVOZNV-GJZGRUSLSA-N 2 1 356.536 0.388 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739677 250351760 /nfs/dbraw/zinc/35/17/60/250351760.db2.gz IVIPRSXRBVOZNV-GJZGRUSLSA-N 2 1 356.536 0.388 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000269702144 211050738 /nfs/dbraw/zinc/05/07/38/211050738.db2.gz MEUWJUWQKKGQJW-HNNXBMFYSA-N 2 1 361.446 0.642 20 0 FCADMP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]([NH3+])CC(N)=O)ccc1OC ZINC000269703989 211050039 /nfs/dbraw/zinc/05/00/39/211050039.db2.gz MRCQIDHXFRXLTE-ZDUSSCGKSA-N 2 1 352.435 0.557 20 0 FCADMP C[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)[NH+]1CCSCC1 ZINC000269650003 211033467 /nfs/dbraw/zinc/03/34/67/211033467.db2.gz BKBLMQGRZJGFEO-CQSZACIVSA-N 2 1 350.488 0.972 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+](C)C1 ZINC000413907915 532989196 /nfs/dbraw/zinc/98/91/96/532989196.db2.gz TZTZITDHYJPUIY-MRXNPFEDSA-N 2 1 367.490 0.585 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CC[N@@H+](C)C1 ZINC000413098734 532993535 /nfs/dbraw/zinc/99/35/35/532993535.db2.gz COWYQIAYEZXJJX-ARFHVFGLSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC[NH+](C)C1 ZINC000413098734 532993541 /nfs/dbraw/zinc/99/35/41/532993541.db2.gz COWYQIAYEZXJJX-ARFHVFGLSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC[NH+](C)C1 ZINC000413098734 532993544 /nfs/dbraw/zinc/99/35/44/532993544.db2.gz COWYQIAYEZXJJX-ARFHVFGLSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+](C)C1 ZINC000413511817 532995573 /nfs/dbraw/zinc/99/55/73/532995573.db2.gz XEDGAEWXNNXKKE-CABCVRRESA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511817 532995577 /nfs/dbraw/zinc/99/55/77/532995577.db2.gz XEDGAEWXNNXKKE-CABCVRRESA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511817 532995581 /nfs/dbraw/zinc/99/55/81/532995581.db2.gz XEDGAEWXNNXKKE-CABCVRRESA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+](C)C1 ZINC000413346628 532996271 /nfs/dbraw/zinc/99/62/71/532996271.db2.gz IIKCXUDDYKXLBU-CZUORRHYSA-N 2 1 358.508 0.170 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000119220181 208357160 /nfs/dbraw/zinc/35/71/60/208357160.db2.gz AMLCNHZNBVJYNY-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119482192 208361279 /nfs/dbraw/zinc/36/12/79/208361279.db2.gz ZYJSLNIIZDUXBO-JTUUTPGSSA-N 2 1 363.506 0.606 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000266753812 210395875 /nfs/dbraw/zinc/39/58/75/210395875.db2.gz NITDUXCKGRSRSH-OAHLLOKOSA-N 2 1 350.467 0.611 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000266753812 210395879 /nfs/dbraw/zinc/39/58/79/210395879.db2.gz NITDUXCKGRSRSH-OAHLLOKOSA-N 2 1 350.467 0.611 20 0 FCADMP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000176287887 209000461 /nfs/dbraw/zinc/00/04/61/209000461.db2.gz UMCMMVUCWAAVDQ-SJORKVTESA-N 2 1 354.495 0.318 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000177415561 209023305 /nfs/dbraw/zinc/02/33/05/209023305.db2.gz WNLBTZLSCFDODQ-MRXNPFEDSA-N 2 1 356.511 0.441 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000177930076 209040397 /nfs/dbraw/zinc/04/03/97/209040397.db2.gz XIXMZEIICBYLLE-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000177930076 209040401 /nfs/dbraw/zinc/04/04/01/209040401.db2.gz XIXMZEIICBYLLE-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320857 209048442 /nfs/dbraw/zinc/04/84/42/209048442.db2.gz XRZLEOJFRNMVDO-VQIMIIECSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320857 209048445 /nfs/dbraw/zinc/04/84/45/209048445.db2.gz XRZLEOJFRNMVDO-VQIMIIECSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320857 209048447 /nfs/dbraw/zinc/04/84/47/209048447.db2.gz XRZLEOJFRNMVDO-VQIMIIECSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000178884491 209063253 /nfs/dbraw/zinc/06/32/53/209063253.db2.gz LCJUVKZBWAGKFH-UXHICEINSA-N 2 1 374.529 0.982 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+](C)C1 ZINC000413616179 533478032 /nfs/dbraw/zinc/47/80/32/533478032.db2.gz RZUIQIXLQNVVGA-AWEZNQCLSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410781319 230245159 /nfs/dbraw/zinc/24/51/59/230245159.db2.gz BSMXERTYRGSBHB-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410874810 230287190 /nfs/dbraw/zinc/28/71/90/230287190.db2.gz ULLOJDFZBHWNHR-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000562798914 491189707 /nfs/dbraw/zinc/18/97/07/491189707.db2.gz YZQKVNALYYYHAS-MRXNPFEDSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000324842578 488907623 /nfs/dbraw/zinc/90/76/23/488907623.db2.gz CMPAORRIPLLCKI-UKRRQHHQSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000324842578 488907625 /nfs/dbraw/zinc/90/76/25/488907625.db2.gz CMPAORRIPLLCKI-UKRRQHHQSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324842577 488907924 /nfs/dbraw/zinc/90/79/24/488907924.db2.gz CMPAORRIPLLCKI-HIFRSBDPSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324842577 488907927 /nfs/dbraw/zinc/90/79/27/488907927.db2.gz CMPAORRIPLLCKI-HIFRSBDPSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000328438698 488921780 /nfs/dbraw/zinc/92/17/80/488921780.db2.gz XCWAHXRZBYTWAV-FRRDWIJNSA-N 2 1 364.412 0.634 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000328438698 488921783 /nfs/dbraw/zinc/92/17/83/488921783.db2.gz XCWAHXRZBYTWAV-FRRDWIJNSA-N 2 1 364.412 0.634 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000328438699 488921971 /nfs/dbraw/zinc/92/19/71/488921971.db2.gz XCWAHXRZBYTWAV-JHJVBQTASA-N 2 1 364.412 0.634 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000328438699 488921975 /nfs/dbraw/zinc/92/19/75/488921975.db2.gz XCWAHXRZBYTWAV-JHJVBQTASA-N 2 1 364.412 0.634 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000364177175 488931107 /nfs/dbraw/zinc/93/11/07/488931107.db2.gz YPPVWIBPCGWUIV-IKGGRYGDSA-N 2 1 365.522 0.317 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1C1CC1 ZINC000364177175 488931110 /nfs/dbraw/zinc/93/11/10/488931110.db2.gz YPPVWIBPCGWUIV-IKGGRYGDSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000047887141 488047496 /nfs/dbraw/zinc/04/74/96/488047496.db2.gz KKYVURKMZGSZMR-UHFFFAOYSA-N 2 1 361.494 0.382 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958432 488152873 /nfs/dbraw/zinc/15/28/73/488152873.db2.gz DTVHLLLIZJYNHU-HNNXBMFYSA-N 2 1 354.495 0.901 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000569808513 491194038 /nfs/dbraw/zinc/19/40/38/491194038.db2.gz UHGYIIDAORWAIN-JYJNAYRXSA-N 2 1 352.479 0.004 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069504678 488372970 /nfs/dbraw/zinc/37/29/70/488372970.db2.gz JJAQPCCADHYVIH-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069504678 488372971 /nfs/dbraw/zinc/37/29/71/488372971.db2.gz JJAQPCCADHYVIH-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073953081 488386880 /nfs/dbraw/zinc/38/68/80/488386880.db2.gz PIYCQEBKWXWMPY-GOSISDBHSA-N 2 1 356.511 0.491 20 0 FCADMP COC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814377 491194474 /nfs/dbraw/zinc/19/44/74/491194474.db2.gz KGIMMTFEZBCIMK-LPHOPBHVSA-N 2 1 360.458 0.701 20 0 FCADMP COC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814377 491194475 /nfs/dbraw/zinc/19/44/75/491194475.db2.gz KGIMMTFEZBCIMK-LPHOPBHVSA-N 2 1 360.458 0.701 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000074345537 488391131 /nfs/dbraw/zinc/39/11/31/488391131.db2.gz AWVGXMHFRRMICF-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877870 488394689 /nfs/dbraw/zinc/39/46/89/488394689.db2.gz JJFYCEVCCZMPAG-SJLPKXTDSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H](CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000184827768 488398293 /nfs/dbraw/zinc/39/82/93/488398293.db2.gz JYBIKWIZXSOHEO-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCC1 ZINC000185167842 488399476 /nfs/dbraw/zinc/39/94/76/488399476.db2.gz CFWREZFDRDXOAK-QGZVFWFLSA-N 2 1 356.511 0.491 20 0 FCADMP C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737284 488402440 /nfs/dbraw/zinc/40/24/40/488402440.db2.gz SGYLLLNACNSLSM-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737284 488402443 /nfs/dbraw/zinc/40/24/43/488402443.db2.gz SGYLLLNACNSLSM-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000077208632 488409272 /nfs/dbraw/zinc/40/92/72/488409272.db2.gz MNMRUCBNBZNSGI-SJORKVTESA-N 2 1 367.538 0.995 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CN3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416533 /nfs/dbraw/zinc/41/65/33/488416533.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 1 364.486 0.850 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CN3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416535 /nfs/dbraw/zinc/41/65/35/488416535.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 1 364.486 0.850 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000079219022 488428431 /nfs/dbraw/zinc/42/84/31/488428431.db2.gz DDIQAMHSTGMUBQ-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000193720281 488428881 /nfs/dbraw/zinc/42/88/81/488428881.db2.gz PMMPIBXTGWRHHV-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193720281 488428884 /nfs/dbraw/zinc/42/88/84/488428884.db2.gz PMMPIBXTGWRHHV-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193720281 488428886 /nfs/dbraw/zinc/42/88/86/488428886.db2.gz PMMPIBXTGWRHHV-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000193943173 488429965 /nfs/dbraw/zinc/42/99/65/488429965.db2.gz JMCMRAVZGBTKMB-UHFFFAOYSA-N 2 1 359.430 0.895 20 0 FCADMP C[NH+]1CCC(N2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)CC1 ZINC000194832726 488434245 /nfs/dbraw/zinc/43/42/45/488434245.db2.gz QHJYJZRMJXPAGH-UHFFFAOYSA-N 2 1 351.520 0.933 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000081385174 488442058 /nfs/dbraw/zinc/44/20/58/488442058.db2.gz GCZJCXGEWNARDJ-FQEVSTJZSA-N 2 1 373.545 0.869 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238041316 488458106 /nfs/dbraw/zinc/45/81/06/488458106.db2.gz HQJAENICVIUJSQ-INIZCTEOSA-N 2 1 358.490 0.495 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000246342033 488471599 /nfs/dbraw/zinc/47/15/99/488471599.db2.gz OVWUNKLGBUVSPI-ZWKOTPCHSA-N 2 1 369.554 0.526 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246534936 488473565 /nfs/dbraw/zinc/47/35/65/488473565.db2.gz VYJJVFBCNJQPGN-IEBWSBKVSA-N 2 1 370.538 0.737 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246534936 488473567 /nfs/dbraw/zinc/47/35/67/488473567.db2.gz VYJJVFBCNJQPGN-IEBWSBKVSA-N 2 1 370.538 0.737 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246537914 488473742 /nfs/dbraw/zinc/47/37/42/488473742.db2.gz YCIBFCUDVKGBRN-ZIFCJYIRSA-N 2 1 370.538 0.737 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246537914 488473745 /nfs/dbraw/zinc/47/37/45/488473745.db2.gz YCIBFCUDVKGBRN-ZIFCJYIRSA-N 2 1 370.538 0.737 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269239747 488481095 /nfs/dbraw/zinc/48/10/95/488481095.db2.gz AQMKRBPQMKEUSQ-IBGZPJMESA-N 2 1 360.502 0.819 20 0 FCADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152901 488493582 /nfs/dbraw/zinc/49/35/82/488493582.db2.gz RANXCVXLQCOKET-ZWKOTPCHSA-N 2 1 372.517 0.931 20 0 FCADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152901 488493584 /nfs/dbraw/zinc/49/35/84/488493584.db2.gz RANXCVXLQCOKET-ZWKOTPCHSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152901 488493586 /nfs/dbraw/zinc/49/35/86/488493586.db2.gz RANXCVXLQCOKET-ZWKOTPCHSA-N 2 1 372.517 0.931 20 0 FCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000248152901 488493588 /nfs/dbraw/zinc/49/35/88/488493588.db2.gz RANXCVXLQCOKET-ZWKOTPCHSA-N 2 1 372.517 0.931 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000248564034 488498161 /nfs/dbraw/zinc/49/81/61/488498161.db2.gz HPYYWJRTATUWAQ-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC2)CC1=O ZINC000248564034 488498163 /nfs/dbraw/zinc/49/81/63/488498163.db2.gz HPYYWJRTATUWAQ-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC2)CC1=O ZINC000248564034 488498164 /nfs/dbraw/zinc/49/81/64/488498164.db2.gz HPYYWJRTATUWAQ-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105137475 488508465 /nfs/dbraw/zinc/50/84/65/488508465.db2.gz LURYCNGAQNDBIZ-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249380856 488509440 /nfs/dbraw/zinc/50/94/40/488509440.db2.gz QJSPJHXWGNIWKB-HOCLYGCPSA-N 2 1 352.479 0.311 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249380856 488509441 /nfs/dbraw/zinc/50/94/41/488509441.db2.gz QJSPJHXWGNIWKB-HOCLYGCPSA-N 2 1 352.479 0.311 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)O1 ZINC000249527457 488511512 /nfs/dbraw/zinc/51/15/12/488511512.db2.gz AHNGBRQHMWLNFJ-HOTGVXAUSA-N 2 1 356.511 0.447 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261669559 488530041 /nfs/dbraw/zinc/53/00/41/488530041.db2.gz GGOUYXCNVOGOMX-IBGZPJMESA-N 2 1 360.502 0.804 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261682710 488530567 /nfs/dbraw/zinc/53/05/67/488530567.db2.gz HAPLJEINEIZACU-OIISXLGYSA-N 2 1 360.458 0.829 20 0 FCADMP C[N@H+](CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000111609358 488530988 /nfs/dbraw/zinc/53/09/88/488530988.db2.gz NFHZHHLVHLPFON-UHFFFAOYSA-N 2 1 373.545 0.510 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000111609358 488530991 /nfs/dbraw/zinc/53/09/91/488530991.db2.gz NFHZHHLVHLPFON-UHFFFAOYSA-N 2 1 373.545 0.510 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000261695167 488531163 /nfs/dbraw/zinc/53/11/63/488531163.db2.gz DHTIZAFCVJDYNW-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000261695716 488531573 /nfs/dbraw/zinc/53/15/73/488531573.db2.gz BHPGOQWCGYJJIX-INIZCTEOSA-N 2 1 356.478 0.108 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000261796549 488536642 /nfs/dbraw/zinc/53/66/42/488536642.db2.gz ZLUCORGPEJFALY-BRWVUGGUSA-N 2 1 350.507 0.955 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261835644 488537920 /nfs/dbraw/zinc/53/79/20/488537920.db2.gz LEJPNCLQMVXTKP-CABCVRRESA-N 2 1 352.504 0.798 20 0 FCADMP CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261843561 488538038 /nfs/dbraw/zinc/53/80/38/488538038.db2.gz LSXATZGWJMAZKO-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000113646003 488538547 /nfs/dbraw/zinc/53/85/47/488538547.db2.gz JTOKZUSCNOLSJE-AWEZNQCLSA-N 2 1 356.430 0.924 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)O1 ZINC000261911211 488541713 /nfs/dbraw/zinc/54/17/13/488541713.db2.gz XPLOKFYATHCETJ-PBHICJAKSA-N 2 1 373.457 0.882 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)O1 ZINC000261911211 488541715 /nfs/dbraw/zinc/54/17/15/488541715.db2.gz XPLOKFYATHCETJ-PBHICJAKSA-N 2 1 373.457 0.882 20 0 FCADMP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000261948958 488543173 /nfs/dbraw/zinc/54/31/73/488543173.db2.gz NZYQLXHYXPJEPP-RCCFBDPRSA-N 2 1 360.506 0.345 20 0 FCADMP COc1cc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)ccc1C ZINC000262014556 488545875 /nfs/dbraw/zinc/54/58/75/488545875.db2.gz FRYLWHZPMHOCPM-UHFFFAOYSA-N 2 1 374.485 0.583 20 0 FCADMP O=C(CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000262073081 488548910 /nfs/dbraw/zinc/54/89/10/488548910.db2.gz KBUUJQFHKGNSMC-UHFFFAOYSA-N 2 1 359.474 0.065 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000119559594 488557845 /nfs/dbraw/zinc/55/78/45/488557845.db2.gz HELKDKOZLOFVGP-HOTGVXAUSA-N 2 1 370.563 0.921 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3NCCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311897 488563407 /nfs/dbraw/zinc/56/34/07/488563407.db2.gz QLIDBLWVHAVLDC-SIIHOXLZSA-N 2 1 363.458 0.771 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3NCCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311897 488563409 /nfs/dbraw/zinc/56/34/09/488563409.db2.gz QLIDBLWVHAVLDC-SIIHOXLZSA-N 2 1 363.458 0.771 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000262341269 488564958 /nfs/dbraw/zinc/56/49/58/488564958.db2.gz HYFBCRQYCVCDEG-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP CC(C)[NH+]1CCC([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000272151673 488565074 /nfs/dbraw/zinc/56/50/74/488565074.db2.gz UVNVCWDDBMGGRW-UHFFFAOYSA-N 2 1 362.478 0.238 20 0 FCADMP CC(C)[NH+]1CCC([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000272151673 488565076 /nfs/dbraw/zinc/56/50/76/488565076.db2.gz UVNVCWDDBMGGRW-UHFFFAOYSA-N 2 1 362.478 0.238 20 0 FCADMP C[NH2+][C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1cnn(C)c1 ZINC000262392083 488568027 /nfs/dbraw/zinc/56/80/27/488568027.db2.gz OHRLOVPRQNJNFX-IBGZPJMESA-N 2 1 371.485 0.954 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262453067 488571203 /nfs/dbraw/zinc/57/12/03/488571203.db2.gz WFCRQYZAFPLTFH-CVEARBPZSA-N 2 1 360.458 0.701 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262459805 488571686 /nfs/dbraw/zinc/57/16/86/488571686.db2.gz WXRPQIGBDXGHHM-WBVHZDCISA-N 2 1 360.458 0.701 20 0 FCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000262516861 488574455 /nfs/dbraw/zinc/57/44/55/488574455.db2.gz GUOBEGFNNKPCIK-GJZGRUSLSA-N 2 1 362.474 0.947 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000122111718 488575332 /nfs/dbraw/zinc/57/53/32/488575332.db2.gz VRMXEHNYMTWOCO-UHFFFAOYSA-N 2 1 354.495 0.015 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000262650702 488584511 /nfs/dbraw/zinc/58/45/11/488584511.db2.gz QVEXAQALJQBWKF-MSOLQXFVSA-N 2 1 358.486 1.000 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000124087046 488589513 /nfs/dbraw/zinc/58/95/13/488589513.db2.gz RHWRBTVJBFUGPE-KRWDZBQOSA-N 2 1 360.506 0.979 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000124087046 488589515 /nfs/dbraw/zinc/58/95/15/488589515.db2.gz RHWRBTVJBFUGPE-KRWDZBQOSA-N 2 1 360.506 0.979 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccn1 ZINC000272656112 488595643 /nfs/dbraw/zinc/59/56/43/488595643.db2.gz GTOIHZWEOHEDKG-QGZVFWFLSA-N 2 1 364.490 0.989 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000263078680 488604043 /nfs/dbraw/zinc/60/40/43/488604043.db2.gz CWGLIYQHLNOZBZ-SFHVURJKSA-N 2 1 362.474 0.599 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](C)C1 ZINC000127141816 488614792 /nfs/dbraw/zinc/61/47/92/488614792.db2.gz UJTIAPLRVFGSPL-RYRKJORJSA-N 2 1 358.527 0.735 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079004 488628930 /nfs/dbraw/zinc/62/89/30/488628930.db2.gz SZEFVBBCHUDLOY-SJORKVTESA-N 2 1 367.538 0.301 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000563074940 491213139 /nfs/dbraw/zinc/21/31/39/491213139.db2.gz VDRBYDACETUILE-RBUKOAKNSA-N 2 1 372.513 0.926 20 0 FCADMP COc1ccc([C@H](CNC(=O)Cn2nnnc2C[NH3+])[NH+]2CCCCC2)cc1 ZINC000563081329 491213653 /nfs/dbraw/zinc/21/36/53/491213653.db2.gz PZNFWLGWIVXIJO-INIZCTEOSA-N 2 1 373.461 0.484 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000130562017 488638838 /nfs/dbraw/zinc/63/88/38/488638838.db2.gz TZKFGJZCUTWXCA-UHFFFAOYSA-N 2 1 351.451 0.814 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000130562017 488638839 /nfs/dbraw/zinc/63/88/39/488638839.db2.gz TZKFGJZCUTWXCA-UHFFFAOYSA-N 2 1 351.451 0.814 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CC[NH+](C)CC1 ZINC000264255209 488658502 /nfs/dbraw/zinc/65/85/02/488658502.db2.gz GKUYASOACCINET-KRWDZBQOSA-N 2 1 374.529 0.895 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264273631 488659709 /nfs/dbraw/zinc/65/97/09/488659709.db2.gz PRTLIHNTHCVBEZ-UHFFFAOYSA-N 2 1 365.478 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662778 491216245 /nfs/dbraw/zinc/21/62/45/491216245.db2.gz XYSIUJTWJDCFFE-ZBFHGGJFSA-N 2 1 350.507 0.824 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435529 488673394 /nfs/dbraw/zinc/67/33/94/488673394.db2.gz CNRSFIJKFXUNOL-ROUUACIJSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264435529 488673396 /nfs/dbraw/zinc/67/33/96/488673396.db2.gz CNRSFIJKFXUNOL-ROUUACIJSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000264435529 488673398 /nfs/dbraw/zinc/67/33/98/488673398.db2.gz CNRSFIJKFXUNOL-ROUUACIJSA-N 2 1 373.501 0.900 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000136874663 488679381 /nfs/dbraw/zinc/67/93/81/488679381.db2.gz KZMKNXPAWAKOGA-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000136874663 488679382 /nfs/dbraw/zinc/67/93/82/488679382.db2.gz KZMKNXPAWAKOGA-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000138441364 488682295 /nfs/dbraw/zinc/68/22/95/488682295.db2.gz YIEIYUVPHNQHPX-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000138441364 488682298 /nfs/dbraw/zinc/68/22/98/488682298.db2.gz YIEIYUVPHNQHPX-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000138441364 488682300 /nfs/dbraw/zinc/68/23/00/488682300.db2.gz YIEIYUVPHNQHPX-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccs1 ZINC000264524609 488682394 /nfs/dbraw/zinc/68/23/94/488682394.db2.gz XCTDNBSRMGBXPT-KGLIPLIRSA-N 2 1 367.519 0.990 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C1CC1 ZINC000138950036 488683434 /nfs/dbraw/zinc/68/34/34/488683434.db2.gz OAIRQSULTFEVIA-ZBFHGGJFSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[N@H+](C)C1CC1 ZINC000138950036 488683436 /nfs/dbraw/zinc/68/34/36/488683436.db2.gz OAIRQSULTFEVIA-ZBFHGGJFSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[N@@H+](C)C1CC1 ZINC000138950036 488683438 /nfs/dbraw/zinc/68/34/38/488683438.db2.gz OAIRQSULTFEVIA-ZBFHGGJFSA-N 2 1 351.495 0.417 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000153575640 488732639 /nfs/dbraw/zinc/73/26/39/488732639.db2.gz IYIPFUFIGAJQGK-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146737 491219716 /nfs/dbraw/zinc/21/97/16/491219716.db2.gz OMYOXJBIEGEEIF-SJORKVTESA-N 2 1 368.522 0.740 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000155405733 488755368 /nfs/dbraw/zinc/75/53/68/488755368.db2.gz ZMYHKCIZKQXMNH-MRXNPFEDSA-N 2 1 356.511 0.443 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000155405733 488755369 /nfs/dbraw/zinc/75/53/69/488755369.db2.gz ZMYHKCIZKQXMNH-MRXNPFEDSA-N 2 1 356.511 0.443 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000563143719 491220406 /nfs/dbraw/zinc/22/04/06/491220406.db2.gz OEGBIYPMHXOQQL-SFHVURJKSA-N 2 1 356.470 0.839 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000267075612 488759027 /nfs/dbraw/zinc/75/90/27/488759027.db2.gz INLSNOHWNLPWJX-UHFFFAOYSA-N 2 1 360.502 0.621 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000267120975 488762949 /nfs/dbraw/zinc/76/29/49/488762949.db2.gz NXHXOIGVKXZSRC-GOSISDBHSA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000267120975 488762950 /nfs/dbraw/zinc/76/29/50/488762950.db2.gz NXHXOIGVKXZSRC-GOSISDBHSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000267120237 488763064 /nfs/dbraw/zinc/76/30/64/488763064.db2.gz IVLUOZBJYYIDGC-UHFFFAOYSA-N 2 1 365.478 0.937 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000157268145 488770569 /nfs/dbraw/zinc/77/05/69/488770569.db2.gz XZVVERKAPRNJRN-HNNXBMFYSA-N 2 1 353.511 0.474 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000157268145 488770571 /nfs/dbraw/zinc/77/05/71/488770571.db2.gz XZVVERKAPRNJRN-HNNXBMFYSA-N 2 1 353.511 0.474 20 0 FCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000267527882 488794380 /nfs/dbraw/zinc/79/43/80/488794380.db2.gz JLFZBQNNJIUPPD-HOTGVXAUSA-N 2 1 362.478 0.705 20 0 FCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000267527882 488794382 /nfs/dbraw/zinc/79/43/82/488794382.db2.gz JLFZBQNNJIUPPD-HOTGVXAUSA-N 2 1 362.478 0.705 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000169212992 488812971 /nfs/dbraw/zinc/81/29/71/488812971.db2.gz YUTLKDLAIVPCPD-SJORKVTESA-N 2 1 360.458 0.780 20 0 FCADMP CN(Cc1ccco1)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172159204 488830760 /nfs/dbraw/zinc/83/07/60/488830760.db2.gz FXSFMNWCGCTHKX-UHFFFAOYSA-N 2 1 350.463 0.628 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174254367 488848140 /nfs/dbraw/zinc/84/81/40/488848140.db2.gz STKHRCGRDTVOAJ-MRXNPFEDSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174254367 488848141 /nfs/dbraw/zinc/84/81/41/488848141.db2.gz STKHRCGRDTVOAJ-MRXNPFEDSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199381 491224419 /nfs/dbraw/zinc/22/44/19/491224419.db2.gz NNNFHCXLODTVSA-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199381 491224422 /nfs/dbraw/zinc/22/44/22/491224422.db2.gz NNNFHCXLODTVSA-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199381 491224426 /nfs/dbraw/zinc/22/44/26/491224426.db2.gz NNNFHCXLODTVSA-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000175688523 488854967 /nfs/dbraw/zinc/85/49/67/488854967.db2.gz HBWPPZPHTRMYAG-KSZLIROESA-N 2 1 368.522 0.849 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@@H+](C)CCCOC)C2)CC1 ZINC000175738432 488855132 /nfs/dbraw/zinc/85/51/32/488855132.db2.gz ILNNAOZTUGRQBC-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[NH+](C)CCN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000177494811 488859357 /nfs/dbraw/zinc/85/93/57/488859357.db2.gz BRZRZMQJGUURCV-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000180047779 488861742 /nfs/dbraw/zinc/86/17/42/488861742.db2.gz TUNPBMVXJREMIX-UHFFFAOYSA-N 2 1 364.494 0.935 20 0 FCADMP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000329277137 488988841 /nfs/dbraw/zinc/98/88/41/488988841.db2.gz JEDPBRPIVQUMGH-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000329334823 488993957 /nfs/dbraw/zinc/99/39/57/488993957.db2.gz KXMWMNUGYAGWSO-YJBOKZPZSA-N 2 1 353.507 0.933 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288613136 488997365 /nfs/dbraw/zinc/99/73/65/488997365.db2.gz RBFSGSNWYDKGKV-SFHVURJKSA-N 2 1 372.513 0.802 20 0 FCADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389218 489000125 /nfs/dbraw/zinc/00/01/25/489000125.db2.gz UJCHWUDEZNBRRY-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389218 489000127 /nfs/dbraw/zinc/00/01/27/489000127.db2.gz UJCHWUDEZNBRRY-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389218 489000129 /nfs/dbraw/zinc/00/01/29/489000129.db2.gz UJCHWUDEZNBRRY-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H](CO)[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916727 489017307 /nfs/dbraw/zinc/01/73/07/489017307.db2.gz OLACQGPJBJNYNY-HKUYNNGSSA-N 2 1 362.518 0.794 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000329722501 489030159 /nfs/dbraw/zinc/03/01/59/489030159.db2.gz NKZGCRLMEIPGOC-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000329722501 489030162 /nfs/dbraw/zinc/03/01/62/489030162.db2.gz NKZGCRLMEIPGOC-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000289265240 489054080 /nfs/dbraw/zinc/05/40/80/489054080.db2.gz WMZVCPZWOGFUSK-AEFFLSMTSA-N 2 1 363.506 0.843 20 0 FCADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000289265240 489054083 /nfs/dbraw/zinc/05/40/83/489054083.db2.gz WMZVCPZWOGFUSK-AEFFLSMTSA-N 2 1 363.506 0.843 20 0 FCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000289779027 489092897 /nfs/dbraw/zinc/09/28/97/489092897.db2.gz IZEWIXNLMSSMLN-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(CCO)C[C@@H](C)O)CC1 ZINC000289928619 489103123 /nfs/dbraw/zinc/10/31/23/489103123.db2.gz UUHWRYTXAMTLLU-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)CC1 ZINC000289928619 489103128 /nfs/dbraw/zinc/10/31/28/489103128.db2.gz UUHWRYTXAMTLLU-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CCO)C[C@@H](C)O)CC1 ZINC000289928619 489103132 /nfs/dbraw/zinc/10/31/32/489103132.db2.gz UUHWRYTXAMTLLU-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CCO)C[C@@H](C)O)CC1 ZINC000289928619 489103133 /nfs/dbraw/zinc/10/31/33/489103133.db2.gz UUHWRYTXAMTLLU-GOSISDBHSA-N 2 1 363.502 0.704 20 0 FCADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290065023 489111262 /nfs/dbraw/zinc/11/12/62/489111262.db2.gz VSXAHHHXFXKSKC-RDJZCZTQSA-N 2 1 362.474 0.594 20 0 FCADMP O=C1NCCN1CC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290277621 489127213 /nfs/dbraw/zinc/12/72/13/489127213.db2.gz LZLZGSUFQCTKJD-GOSISDBHSA-N 2 1 372.517 0.941 20 0 FCADMP O=C1NCCN1CCN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290277621 489127215 /nfs/dbraw/zinc/12/72/15/489127215.db2.gz LZLZGSUFQCTKJD-GOSISDBHSA-N 2 1 372.517 0.941 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290415893 489138279 /nfs/dbraw/zinc/13/82/79/489138279.db2.gz JJSADDJFZSOVGC-CVEARBPZSA-N 2 1 359.474 0.625 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000366166922 489153438 /nfs/dbraw/zinc/15/34/38/489153438.db2.gz CZJALXSTGHNITA-HKUYNNGSSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166922 489153440 /nfs/dbraw/zinc/15/34/40/489153440.db2.gz CZJALXSTGHNITA-HKUYNNGSSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166922 489153443 /nfs/dbraw/zinc/15/34/43/489153443.db2.gz CZJALXSTGHNITA-HKUYNNGSSA-N 2 1 351.539 0.996 20 0 FCADMP COCCOC[C@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000295399015 489192699 /nfs/dbraw/zinc/19/26/99/489192699.db2.gz WAGJUZYDWJYRDD-HXUWFJFHSA-N 2 1 365.518 0.760 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331400353 489206301 /nfs/dbraw/zinc/20/63/01/489206301.db2.gz MQCZABQYHOORDS-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331400353 489206305 /nfs/dbraw/zinc/20/63/05/489206305.db2.gz MQCZABQYHOORDS-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000331447066 489212542 /nfs/dbraw/zinc/21/25/42/489212542.db2.gz CFFKYZGJSJIRIR-JONQDZQNSA-N 2 1 350.507 0.727 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000283197612 489225855 /nfs/dbraw/zinc/22/58/55/489225855.db2.gz AVHFTEGQPFTAIO-ZNMIVQPWSA-N 2 1 350.463 0.988 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283231459 489230865 /nfs/dbraw/zinc/23/08/65/489230865.db2.gz AIGUJDQGVOHURB-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C)C1 ZINC000332834627 489237443 /nfs/dbraw/zinc/23/74/43/489237443.db2.gz HUZQAVRZEILUSM-CYGHRXIMSA-N 2 1 368.522 0.461 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283328564 489245659 /nfs/dbraw/zinc/24/56/59/489245659.db2.gz GCNXGNXAWJXAAL-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000332970250 489252215 /nfs/dbraw/zinc/25/22/15/489252215.db2.gz XACZTDVMKHLCQX-OWCLPIDISA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000332970250 489252217 /nfs/dbraw/zinc/25/22/17/489252217.db2.gz XACZTDVMKHLCQX-OWCLPIDISA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000332970250 489252219 /nfs/dbraw/zinc/25/22/19/489252219.db2.gz XACZTDVMKHLCQX-OWCLPIDISA-N 2 1 351.495 0.417 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333980416 489264289 /nfs/dbraw/zinc/26/42/89/489264289.db2.gz AIMWUUVJSKRAHT-UHFFFAOYSA-N 2 1 354.495 0.463 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000369698993 489266551 /nfs/dbraw/zinc/26/65/51/489266551.db2.gz ZKDNEYQTRRRIPI-OAHLLOKOSA-N 2 1 364.494 1.162 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738428 489269518 /nfs/dbraw/zinc/26/95/18/489269518.db2.gz XVWYCBDPMJJMLO-NXHRZFHOSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738428 489269519 /nfs/dbraw/zinc/26/95/19/489269519.db2.gz XVWYCBDPMJJMLO-NXHRZFHOSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738428 489269520 /nfs/dbraw/zinc/26/95/20/489269520.db2.gz XVWYCBDPMJJMLO-NXHRZFHOSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546523 489273158 /nfs/dbraw/zinc/27/31/58/489273158.db2.gz SCTADHGXFFCWQU-HHXXYDBFSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283546523 489273162 /nfs/dbraw/zinc/27/31/62/489273162.db2.gz SCTADHGXFFCWQU-HHXXYDBFSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283546523 489273166 /nfs/dbraw/zinc/27/31/66/489273166.db2.gz SCTADHGXFFCWQU-HHXXYDBFSA-N 2 1 370.497 0.976 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283578981 489276900 /nfs/dbraw/zinc/27/69/00/489276900.db2.gz UUJRLDJKJHLIHP-KRWDZBQOSA-N 2 1 355.442 0.698 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283578981 489276902 /nfs/dbraw/zinc/27/69/02/489276902.db2.gz UUJRLDJKJHLIHP-KRWDZBQOSA-N 2 1 355.442 0.698 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000284879015 489315355 /nfs/dbraw/zinc/31/53/55/489315355.db2.gz GJLWANBNQXFKAO-INIZCTEOSA-N 2 1 350.438 0.755 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285915733 489333784 /nfs/dbraw/zinc/33/37/84/489333784.db2.gz DQQBTFGYMNUGIT-FXAWDEMLSA-N 2 1 372.517 0.885 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000285971813 489339945 /nfs/dbraw/zinc/33/99/45/489339945.db2.gz RMRMGHSLGUXAPQ-UHFFFAOYSA-N 2 1 363.462 0.069 20 0 FCADMP NC(=O)NC(=O)CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286001619 489344147 /nfs/dbraw/zinc/34/41/47/489344147.db2.gz OVVZHQXVIDCGNH-GOSISDBHSA-N 2 1 373.501 0.854 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000563459823 491249513 /nfs/dbraw/zinc/24/95/13/491249513.db2.gz ZHKHEPSEJJQXJM-ZWKOTPCHSA-N 2 1 358.486 0.615 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CCCO1 ZINC000563471579 491250064 /nfs/dbraw/zinc/25/00/64/491250064.db2.gz FTTWLVOOJSOYTJ-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000286220085 489370118 /nfs/dbraw/zinc/37/01/18/489370118.db2.gz YUAHNMRKPIDEHA-MRXNPFEDSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000286220085 489370119 /nfs/dbraw/zinc/37/01/19/489370119.db2.gz YUAHNMRKPIDEHA-MRXNPFEDSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000286220085 489370122 /nfs/dbraw/zinc/37/01/22/489370122.db2.gz YUAHNMRKPIDEHA-MRXNPFEDSA-N 2 1 364.490 0.318 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1=O ZINC000370559861 489375251 /nfs/dbraw/zinc/37/52/51/489375251.db2.gz ZPTBJRJSFGCJGH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000362257359 489380147 /nfs/dbraw/zinc/38/01/47/489380147.db2.gz NZTWYQIPTRJEAM-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000362257359 489380152 /nfs/dbraw/zinc/38/01/52/489380152.db2.gz NZTWYQIPTRJEAM-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000362257359 489380154 /nfs/dbraw/zinc/38/01/54/489380154.db2.gz NZTWYQIPTRJEAM-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000362257359 489380157 /nfs/dbraw/zinc/38/01/57/489380157.db2.gz NZTWYQIPTRJEAM-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+](C)C1CC1 ZINC000286337524 489381317 /nfs/dbraw/zinc/38/13/17/489381317.db2.gz BPWOMFOHHQNJML-CQSZACIVSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[N@H+](C)C1CC1 ZINC000286337524 489381319 /nfs/dbraw/zinc/38/13/19/489381319.db2.gz BPWOMFOHHQNJML-CQSZACIVSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[N@@H+](C)C1CC1 ZINC000286337524 489381321 /nfs/dbraw/zinc/38/13/21/489381321.db2.gz BPWOMFOHHQNJML-CQSZACIVSA-N 2 1 364.465 0.973 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000570679766 491257274 /nfs/dbraw/zinc/25/72/74/491257274.db2.gz XWYFRPGDZGURSQ-ZBFHGGJFSA-N 2 1 362.478 0.125 20 0 FCADMP C[N@H+](CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000363186251 489435621 /nfs/dbraw/zinc/43/56/21/489435621.db2.gz NGMBMGNDIXNCAB-UHFFFAOYSA-N 2 1 351.495 0.276 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000363186251 489435624 /nfs/dbraw/zinc/43/56/24/489435624.db2.gz NGMBMGNDIXNCAB-UHFFFAOYSA-N 2 1 351.495 0.276 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371027049 489440166 /nfs/dbraw/zinc/44/01/66/489440166.db2.gz FPIQXPKBWNKBJN-QGZVFWFLSA-N 2 1 353.511 0.129 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000299545546 489454324 /nfs/dbraw/zinc/45/43/24/489454324.db2.gz KBQKPOLIDXFHBU-UHFFFAOYSA-N 2 1 361.471 0.967 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC(=O)NC(N)=O)CC2)CC1 ZINC000371159006 489458386 /nfs/dbraw/zinc/45/83/86/489458386.db2.gz YQFCSUOLMYZCAO-UHFFFAOYSA-N 2 1 353.511 0.700 20 0 FCADMP C[N@@H+](CCC(=O)NC(N)=O)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371159006 489458388 /nfs/dbraw/zinc/45/83/88/489458388.db2.gz YQFCSUOLMYZCAO-UHFFFAOYSA-N 3 1 353.511 0.700 20 0 FCADMP C[N@H+](CCC(=O)NC(N)=O)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371159006 489458391 /nfs/dbraw/zinc/45/83/91/489458391.db2.gz YQFCSUOLMYZCAO-UHFFFAOYSA-N 3 1 353.511 0.700 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000287101002 489461147 /nfs/dbraw/zinc/46/11/47/489461147.db2.gz DSPNRJQDKCKNGL-INIZCTEOSA-N 2 1 364.490 0.835 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558160 489488418 /nfs/dbraw/zinc/48/84/18/489488418.db2.gz PIELFGUUAUCHCW-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[N@H+](CC)CC2)CC1=O ZINC000371558160 489488419 /nfs/dbraw/zinc/48/84/19/489488419.db2.gz PIELFGUUAUCHCW-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[N@@H+](CC)CC2)CC1=O ZINC000371558160 489488420 /nfs/dbraw/zinc/48/84/20/489488420.db2.gz PIELFGUUAUCHCW-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423115884 489494003 /nfs/dbraw/zinc/49/40/03/489494003.db2.gz OLRXCKIKTHBBLX-HNNXBMFYSA-N 2 1 364.515 0.503 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1c1cccc(F)c1 ZINC000423123767 489495722 /nfs/dbraw/zinc/49/57/22/489495722.db2.gz FGIBIKDTUYABPB-ZWKOTPCHSA-N 2 1 374.460 0.633 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162992 489498421 /nfs/dbraw/zinc/49/84/21/489498421.db2.gz LZXRPDOBPXPPDD-SJORKVTESA-N 2 1 359.474 0.454 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555614085 491259584 /nfs/dbraw/zinc/25/95/84/491259584.db2.gz ILXCICYIRZXSGD-UHFFFAOYSA-N 2 1 356.511 0.496 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423267570 489508986 /nfs/dbraw/zinc/50/89/86/489508986.db2.gz UABFSUDIRVRLAO-QGZVFWFLSA-N 2 1 358.486 0.917 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423267570 489508989 /nfs/dbraw/zinc/50/89/89/489508989.db2.gz UABFSUDIRVRLAO-QGZVFWFLSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423301089 489512484 /nfs/dbraw/zinc/51/24/84/489512484.db2.gz FLSAUMQOHJRXOJ-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000415454478 489522342 /nfs/dbraw/zinc/52/23/42/489522342.db2.gz OGSRBHFPNYQHHH-KRWDZBQOSA-N 2 1 360.458 0.353 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415545239 489528560 /nfs/dbraw/zinc/52/85/60/489528560.db2.gz JKTSYHLLAIAPOA-GASCZTMLSA-N 2 1 362.474 0.912 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415545239 489528561 /nfs/dbraw/zinc/52/85/61/489528561.db2.gz JKTSYHLLAIAPOA-GASCZTMLSA-N 2 1 362.474 0.912 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843532 489533387 /nfs/dbraw/zinc/53/33/87/489533387.db2.gz JIFUIQVVDHRCDS-LSDHHAIUSA-N 2 1 367.494 0.191 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843530 489533440 /nfs/dbraw/zinc/53/34/40/489533440.db2.gz JIFUIQVVDHRCDS-HUUCEWRRSA-N 2 1 367.494 0.191 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000425890857 489542444 /nfs/dbraw/zinc/54/24/44/489542444.db2.gz XEVVKSWZWKNKFP-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000454093310 489562668 /nfs/dbraw/zinc/56/26/68/489562668.db2.gz JTFCXJMVWOKWBH-HNNXBMFYSA-N 2 1 356.430 1.147 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000555660234 491263052 /nfs/dbraw/zinc/26/30/52/491263052.db2.gz FPKGCOQXWCRYNX-KRWDZBQOSA-N 2 1 370.538 0.694 20 0 FCADMP Cc1cccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312361 489569455 /nfs/dbraw/zinc/56/94/55/489569455.db2.gz WFIXUFFERHHICF-UXHICEINSA-N 2 1 372.513 0.874 20 0 FCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000372399405 489580748 /nfs/dbraw/zinc/58/07/48/489580748.db2.gz JROVQLXQORRPPN-GOSISDBHSA-N 2 1 358.486 0.005 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000555670158 491264673 /nfs/dbraw/zinc/26/46/73/491264673.db2.gz INTFXQIWCGTFKF-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000426885592 489585290 /nfs/dbraw/zinc/58/52/90/489585290.db2.gz CWYGUTLPJFGJDD-RDJZCZTQSA-N 2 1 364.490 0.562 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+](C)C1CC1 ZINC000427087315 489593633 /nfs/dbraw/zinc/59/36/33/489593633.db2.gz NRMZKFMSMXVHSS-CYBMUJFWSA-N 2 1 362.478 0.687 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000455613555 489596752 /nfs/dbraw/zinc/59/67/52/489596752.db2.gz NOQJFADJMPBAHJ-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000456212662 489610596 /nfs/dbraw/zinc/61/05/96/489610596.db2.gz POXDBLYCDMNDST-GASCZTMLSA-N 2 1 350.463 0.549 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000456212662 489610598 /nfs/dbraw/zinc/61/05/98/489610598.db2.gz POXDBLYCDMNDST-GASCZTMLSA-N 2 1 350.463 0.549 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728673 491266459 /nfs/dbraw/zinc/26/64/59/491266459.db2.gz ADYGYJMUXRAAAJ-FUHWJXTLSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676036 489622715 /nfs/dbraw/zinc/62/27/15/489622715.db2.gz XNGGGVZJIFCTRZ-JFIYKMOQSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372676036 489622717 /nfs/dbraw/zinc/62/27/17/489622717.db2.gz XNGGGVZJIFCTRZ-JFIYKMOQSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372676036 489622721 /nfs/dbraw/zinc/62/27/21/489622721.db2.gz XNGGGVZJIFCTRZ-JFIYKMOQSA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000416937291 489634510 /nfs/dbraw/zinc/63/45/10/489634510.db2.gz CXTVCYXMFKAVRU-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP CC1(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000416952365 489636275 /nfs/dbraw/zinc/63/62/75/489636275.db2.gz OEZYVYFSBSAAGC-UHFFFAOYSA-N 2 1 361.494 0.430 20 0 FCADMP C[C@@H](CCCC[NH3+])NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416956852 489636292 /nfs/dbraw/zinc/63/62/92/489636292.db2.gz SCFRXTYRDIZBCG-INIZCTEOSA-N 2 1 363.510 0.805 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000416977695 489637142 /nfs/dbraw/zinc/63/71/42/489637142.db2.gz UEQWRQKAHONHBU-OAHLLOKOSA-N 2 1 361.490 0.729 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000417017300 489638429 /nfs/dbraw/zinc/63/84/29/489638429.db2.gz JAYUDZQULMIXTF-GOSISDBHSA-N 2 1 363.506 0.328 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000417017300 489638431 /nfs/dbraw/zinc/63/84/31/489638431.db2.gz JAYUDZQULMIXTF-GOSISDBHSA-N 2 1 363.506 0.328 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000417017300 489638433 /nfs/dbraw/zinc/63/84/33/489638433.db2.gz JAYUDZQULMIXTF-GOSISDBHSA-N 2 1 363.506 0.328 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000417017301 489638610 /nfs/dbraw/zinc/63/86/10/489638610.db2.gz JAYUDZQULMIXTF-SFHVURJKSA-N 2 1 363.506 0.328 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000417017301 489638612 /nfs/dbraw/zinc/63/86/12/489638612.db2.gz JAYUDZQULMIXTF-SFHVURJKSA-N 2 1 363.506 0.328 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000417017301 489638613 /nfs/dbraw/zinc/63/86/13/489638613.db2.gz JAYUDZQULMIXTF-SFHVURJKSA-N 2 1 363.506 0.328 20 0 FCADMP C[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049015 489639750 /nfs/dbraw/zinc/63/97/50/489639750.db2.gz YJURTJNKALZUKZ-AEFFLSMTSA-N 2 1 361.490 0.566 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417046486 489639919 /nfs/dbraw/zinc/63/99/19/489639919.db2.gz BIMZYHVZWRFCMR-HOCLYGCPSA-N 2 1 353.511 0.746 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417168020 489643886 /nfs/dbraw/zinc/64/38/86/489643886.db2.gz BZIDNSNMBSOCNK-ZDUSSCGKSA-N 2 1 362.400 0.717 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428290596 489644089 /nfs/dbraw/zinc/64/40/89/489644089.db2.gz YQLKMBQIHGOBGS-UHFFFAOYSA-N 2 1 351.495 0.370 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853732 489644613 /nfs/dbraw/zinc/64/46/13/489644613.db2.gz AXYAWXMZJKHWLR-MSOLQXFVSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853732 489644616 /nfs/dbraw/zinc/64/46/16/489644616.db2.gz AXYAWXMZJKHWLR-MSOLQXFVSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000372853732 489644621 /nfs/dbraw/zinc/64/46/21/489644621.db2.gz AXYAWXMZJKHWLR-MSOLQXFVSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000372853732 489644623 /nfs/dbraw/zinc/64/46/23/489644623.db2.gz AXYAWXMZJKHWLR-MSOLQXFVSA-N 2 1 371.485 0.465 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417274405 489646245 /nfs/dbraw/zinc/64/62/45/489646245.db2.gz ZVVBRMMYRRGSDE-INIZCTEOSA-N 2 1 364.490 0.943 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417274405 489646246 /nfs/dbraw/zinc/64/62/46/489646246.db2.gz ZVVBRMMYRRGSDE-INIZCTEOSA-N 2 1 364.490 0.943 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000417430841 489652442 /nfs/dbraw/zinc/65/24/42/489652442.db2.gz QDNMNCCYFPATPD-OWCLPIDISA-N 2 1 353.511 0.698 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417447367 489654221 /nfs/dbraw/zinc/65/42/21/489654221.db2.gz PDMNAZCZGYBENR-LXZKKBNFSA-N 2 1 353.511 0.663 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000417460620 489655085 /nfs/dbraw/zinc/65/50/85/489655085.db2.gz RCFIQQXOQUBHPJ-INIZCTEOSA-N 2 1 350.463 0.886 20 0 FCADMP C[N@H+](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000428624317 489657848 /nfs/dbraw/zinc/65/78/48/489657848.db2.gz GLHXTCZRAJHADX-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[N@@H+](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000428624317 489657852 /nfs/dbraw/zinc/65/78/52/489657852.db2.gz GLHXTCZRAJHADX-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417614901 489659640 /nfs/dbraw/zinc/65/96/40/489659640.db2.gz WIUUXLKWGHVBHM-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000417663743 489661067 /nfs/dbraw/zinc/66/10/67/489661067.db2.gz AOQKSCCKLMQHCM-BBWFWOEESA-N 2 1 355.527 0.326 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000417710347 489662194 /nfs/dbraw/zinc/66/21/94/489662194.db2.gz PIFCYPHQBKQNHK-HUUCEWRRSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762685 489663337 /nfs/dbraw/zinc/66/33/37/489663337.db2.gz XVLUFGQCJYFKMY-MRXNPFEDSA-N 2 1 351.495 0.500 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417750249 489663867 /nfs/dbraw/zinc/66/38/67/489663867.db2.gz KKZPVIIRNDNPOJ-WMZOPIPTSA-N 2 1 355.527 0.328 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458018394 489665802 /nfs/dbraw/zinc/66/58/02/489665802.db2.gz QSLROGRDISXMQI-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417864014 489669060 /nfs/dbraw/zinc/66/90/60/489669060.db2.gz AWQRFEUMTISDOG-KBMXLJTQSA-N 2 1 351.495 0.498 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373110425 489669694 /nfs/dbraw/zinc/66/96/94/489669694.db2.gz NXHYXSSWOYQGMZ-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)n1C ZINC000555748621 491270412 /nfs/dbraw/zinc/27/04/12/491270412.db2.gz JZFFMAWTAVZFOB-UHFFFAOYSA-N 2 1 372.473 0.480 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458326750 489677240 /nfs/dbraw/zinc/67/72/40/489677240.db2.gz BGPBFZKPGHFPBW-KRWDZBQOSA-N 2 1 368.522 0.777 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067976 489677242 /nfs/dbraw/zinc/67/72/42/489677242.db2.gz CONHRLGJFIOEHY-ROUUACIJSA-N 2 1 362.474 0.647 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458407330 489681380 /nfs/dbraw/zinc/68/13/80/489681380.db2.gz CXONAICMKDYUQO-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000418182684 489683181 /nfs/dbraw/zinc/68/31/81/489683181.db2.gz OBCNRAGNYGWCNN-BFZKSOEOSA-N 2 1 365.522 0.696 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]C[C@H]2O)[C@@H]1c1ccccc1 ZINC000418189190 489683673 /nfs/dbraw/zinc/68/36/73/489683673.db2.gz VBZRCQJBFYZJMK-BDXSIMOUSA-N 2 1 362.474 0.328 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]C[C@H]2O)[C@@H]1c1ccccc1 ZINC000418189190 489683675 /nfs/dbraw/zinc/68/36/75/489683675.db2.gz VBZRCQJBFYZJMK-BDXSIMOUSA-N 2 1 362.474 0.328 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418186952 489683798 /nfs/dbraw/zinc/68/37/98/489683798.db2.gz UUWMGAKRBOIILV-MKXAEBJUSA-N 2 1 365.522 0.981 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000555756391 491271065 /nfs/dbraw/zinc/27/10/65/491271065.db2.gz FUTBXOIIYWJWLH-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462159 489684664 /nfs/dbraw/zinc/68/46/64/489684664.db2.gz PUDOTNVYGKRZEH-ROUUACIJSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462159 489684666 /nfs/dbraw/zinc/68/46/66/489684666.db2.gz PUDOTNVYGKRZEH-ROUUACIJSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462159 489684668 /nfs/dbraw/zinc/68/46/68/489684668.db2.gz PUDOTNVYGKRZEH-ROUUACIJSA-N 2 1 369.554 0.406 20 0 FCADMP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823303 491271301 /nfs/dbraw/zinc/27/13/01/491271301.db2.gz YOLVFAWBMSXNQS-NXNVCVFFSA-N 2 1 363.506 0.593 20 0 FCADMP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823302 491271307 /nfs/dbraw/zinc/27/13/07/491271307.db2.gz YOLVFAWBMSXNQS-HDEZJCGLSA-N 2 1 363.506 0.593 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429446090 489687864 /nfs/dbraw/zinc/68/78/64/489687864.db2.gz GMRVDUBFAGJAMK-JKSUJKDBSA-N 2 1 364.556 0.545 20 0 FCADMP CC[NH+](CC)CCSCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000469135446 489692342 /nfs/dbraw/zinc/69/23/42/489692342.db2.gz ZTJTUHYHDCEUSS-UHFFFAOYSA-N 2 1 358.552 0.730 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CCC[N@H+]1C ZINC000458668690 489694095 /nfs/dbraw/zinc/69/40/95/489694095.db2.gz VWVRQPPDABLNLM-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[N@@H+]1C ZINC000458668690 489694099 /nfs/dbraw/zinc/69/40/99/489694099.db2.gz VWVRQPPDABLNLM-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP CCC[NH2+]CCNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000418488649 489702115 /nfs/dbraw/zinc/70/21/15/489702115.db2.gz LKPZNSCLDIMUOI-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391891 489704965 /nfs/dbraw/zinc/70/49/65/489704965.db2.gz WTRNFGAFSLGLRX-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391891 489704973 /nfs/dbraw/zinc/70/49/73/489704973.db2.gz WTRNFGAFSLGLRX-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469391891 489704978 /nfs/dbraw/zinc/70/49/78/489704978.db2.gz WTRNFGAFSLGLRX-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469391891 489704983 /nfs/dbraw/zinc/70/49/83/489704983.db2.gz WTRNFGAFSLGLRX-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@](O)(CNC(=O)NCCCCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000458839522 489705737 /nfs/dbraw/zinc/70/57/37/489705737.db2.gz DLSDYVTZCPIQIC-GOSISDBHSA-N 2 1 356.511 0.635 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611550 489710635 /nfs/dbraw/zinc/71/06/35/489710635.db2.gz HVSVDDPEBCGJPY-CYBMUJFWSA-N 2 1 351.417 0.558 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418628764 489712400 /nfs/dbraw/zinc/71/24/00/489712400.db2.gz CRMRAQVLDLZQOD-DLBZAZTESA-N 2 1 359.474 0.512 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000418669609 489717578 /nfs/dbraw/zinc/71/75/78/489717578.db2.gz JMFKHJRWMUGYMP-IEBWSBKVSA-N 2 1 364.490 0.849 20 0 FCADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000430293456 489729046 /nfs/dbraw/zinc/72/90/46/489729046.db2.gz ZNCKPMLWQMLZBO-CQSZACIVSA-N 2 1 367.412 0.868 20 0 FCADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000430289271 489729098 /nfs/dbraw/zinc/72/90/98/489729098.db2.gz MECQULVQYUTCAG-ZDUSSCGKSA-N 2 1 353.385 0.478 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810273 489733948 /nfs/dbraw/zinc/73/39/48/489733948.db2.gz HAFVNNLPNCBFEA-OXJNMPFZSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987093 489739106 /nfs/dbraw/zinc/73/91/06/489739106.db2.gz GJXFNNNIXIVFPF-JKSUJKDBSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987093 489739110 /nfs/dbraw/zinc/73/91/10/489739110.db2.gz GJXFNNNIXIVFPF-JKSUJKDBSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987093 489739114 /nfs/dbraw/zinc/73/91/14/489739114.db2.gz GJXFNNNIXIVFPF-JKSUJKDBSA-N 2 1 368.547 0.484 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418828380 489742082 /nfs/dbraw/zinc/74/20/82/489742082.db2.gz HVGJWXGFSLSAOI-OAHLLOKOSA-N 2 1 352.479 0.087 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418827826 489742661 /nfs/dbraw/zinc/74/26/61/489742661.db2.gz HGLBBZACNFELGO-CVEARBPZSA-N 2 1 366.506 0.333 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000418837296 489747591 /nfs/dbraw/zinc/74/75/91/489747591.db2.gz AHZKMYLQQOFTOI-NXHRZFHOSA-N 2 1 358.486 0.820 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418838396 489749108 /nfs/dbraw/zinc/74/91/08/489749108.db2.gz VEKMYEAMCKEIIE-JKSUJKDBSA-N 2 1 362.474 0.989 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418838946 489749219 /nfs/dbraw/zinc/74/92/19/489749219.db2.gz WBJPIFJINBYEJN-UHFFFAOYSA-N 2 1 366.506 0.335 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000418839639 489749891 /nfs/dbraw/zinc/74/98/91/489749891.db2.gz DGXFGKGZAZNECT-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418839729 489750005 /nfs/dbraw/zinc/75/00/05/489750005.db2.gz DMRJSJNWLZZSJH-KZNAEPCWSA-N 2 1 356.470 0.445 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000430605067 489750829 /nfs/dbraw/zinc/75/08/29/489750829.db2.gz PNKLRNBDGDUXNT-KRWDZBQOSA-N 2 1 374.485 0.325 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@H]([NH3+])C1 ZINC000430607215 489752403 /nfs/dbraw/zinc/75/24/03/489752403.db2.gz BOCHNGUTYSVXDM-LPHOPBHVSA-N 2 1 360.502 0.947 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC(=O)N1CC[NH2+]CC1 ZINC000430606430 489752652 /nfs/dbraw/zinc/75/26/52/489752652.db2.gz VPEGBUPOQBCOFX-GOSISDBHSA-N 2 1 358.486 0.934 20 0 FCADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614841 489753406 /nfs/dbraw/zinc/75/34/06/489753406.db2.gz AMALLCAWZMHLGQ-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618297 489754674 /nfs/dbraw/zinc/75/46/74/489754674.db2.gz SOFXRLAWFRVHLA-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615878 489754905 /nfs/dbraw/zinc/75/49/05/489754905.db2.gz DSFMAWSJQISEJA-AWEZNQCLSA-N 2 1 361.446 0.370 20 0 FCADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615878 489754907 /nfs/dbraw/zinc/75/49/07/489754907.db2.gz DSFMAWSJQISEJA-AWEZNQCLSA-N 2 1 361.446 0.370 20 0 FCADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624231 489756361 /nfs/dbraw/zinc/75/63/61/489756361.db2.gz OFKXAUBYTYLFKK-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000430622445 489756417 /nfs/dbraw/zinc/75/64/17/489756417.db2.gz GEWHQTLHVVXODV-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP COc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000430622445 489756422 /nfs/dbraw/zinc/75/64/22/489756422.db2.gz GEWHQTLHVVXODV-CYBMUJFWSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000418851085 489756553 /nfs/dbraw/zinc/75/65/53/489756553.db2.gz PEEGRENIPVUHFS-GOEBONIOSA-N 2 1 362.474 0.530 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000418855600 489759678 /nfs/dbraw/zinc/75/96/78/489759678.db2.gz VEAUXAURIDSLRV-HOCLYGCPSA-N 2 1 364.490 0.904 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1)N1CC[NH2+]CC1 ZINC000430639899 489760009 /nfs/dbraw/zinc/76/00/09/489760009.db2.gz GQISOFGAVCGJGY-HNNXBMFYSA-N 2 1 355.442 0.338 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636975 489760710 /nfs/dbraw/zinc/76/07/10/489760710.db2.gz BNRSEIXSAQEVNT-GDBMZVCRSA-N 2 1 360.458 0.587 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636975 489760716 /nfs/dbraw/zinc/76/07/16/489760716.db2.gz BNRSEIXSAQEVNT-GDBMZVCRSA-N 2 1 360.458 0.587 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)C[NH2+]1 ZINC000418862564 489763371 /nfs/dbraw/zinc/76/33/71/489763371.db2.gz ANOWVTSRKRVVQW-VKJFTORMSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376630012 489764089 /nfs/dbraw/zinc/76/40/89/489764089.db2.gz UUFNCXLUWHLNGT-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430717999 489766445 /nfs/dbraw/zinc/76/64/45/489766445.db2.gz FYPPVHGRXRDCSU-CHWSQXEVSA-N 2 1 350.467 0.038 20 0 FCADMP Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430717999 489766448 /nfs/dbraw/zinc/76/64/48/489766448.db2.gz FYPPVHGRXRDCSU-CHWSQXEVSA-N 2 1 350.467 0.038 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000430756797 489768625 /nfs/dbraw/zinc/76/86/25/489768625.db2.gz MVBGBHQXIGVIIP-KRWDZBQOSA-N 2 1 360.458 0.069 20 0 FCADMP COCC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878373 489773982 /nfs/dbraw/zinc/77/39/82/489773982.db2.gz NWBVKOQNPRSUAC-YJBOKZPZSA-N 2 1 354.495 0.062 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430880597 489774227 /nfs/dbraw/zinc/77/42/27/489774227.db2.gz USSOAALCAVHPDW-CVEARBPZSA-N 2 1 360.458 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H](C)[NH2+]1 ZINC000418884974 489774455 /nfs/dbraw/zinc/77/44/55/489774455.db2.gz XSWSTYOEVVQIRE-IIDMSEBBSA-N 2 1 374.485 0.078 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cn2)CC1 ZINC000430861096 489774782 /nfs/dbraw/zinc/77/47/82/489774782.db2.gz AIRHZLLVFAXHLR-OIISXLGYSA-N 2 1 374.489 0.516 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000418912547 489787684 /nfs/dbraw/zinc/78/76/84/489787684.db2.gz DGWQNBSXLKPRPU-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCC[NH+]1CCC(O)CC1)n2C ZINC000474809647 489788147 /nfs/dbraw/zinc/78/81/47/489788147.db2.gz MZRWMSQCRHSCQP-UHFFFAOYSA-N 2 1 360.462 0.611 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418913388 489788748 /nfs/dbraw/zinc/78/87/48/489788748.db2.gz DRLPPILUZLNWDH-BZUAXINKSA-N 2 1 354.495 0.093 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418924842 489793547 /nfs/dbraw/zinc/79/35/47/489793547.db2.gz PNTCEYAOSYSXQK-JKSUJKDBSA-N 2 1 354.495 0.093 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000459925086 489796719 /nfs/dbraw/zinc/79/67/19/489796719.db2.gz UBZWUGUIZGXBHO-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459931370 489798465 /nfs/dbraw/zinc/79/84/65/489798465.db2.gz IYJOAIQGJAJDMB-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000418945037 489799585 /nfs/dbraw/zinc/79/95/85/489799585.db2.gz KXELWVDBBPVJHW-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418954178 489803288 /nfs/dbraw/zinc/80/32/88/489803288.db2.gz WCHCMXMXVWZJGG-OXQOHEQNSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000459995466 489812825 /nfs/dbraw/zinc/81/28/25/489812825.db2.gz OIEMYZBUDFXGDC-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000459995466 489812830 /nfs/dbraw/zinc/81/28/30/489812830.db2.gz OIEMYZBUDFXGDC-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000459995466 489812832 /nfs/dbraw/zinc/81/28/32/489812832.db2.gz OIEMYZBUDFXGDC-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000460008854 489816921 /nfs/dbraw/zinc/81/69/21/489816921.db2.gz FPRXVYITGAPVJF-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CCC[NH+]3CCCC3)CC2)c1 ZINC000460010012 489817274 /nfs/dbraw/zinc/81/72/74/489817274.db2.gz OUNNPDKCCVYRMZ-UHFFFAOYSA-N 2 1 373.501 0.983 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000571067458 491283709 /nfs/dbraw/zinc/28/37/09/491283709.db2.gz UBAJBRALYUBXDA-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000571067458 491283711 /nfs/dbraw/zinc/28/37/11/491283711.db2.gz UBAJBRALYUBXDA-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000571067458 491283712 /nfs/dbraw/zinc/28/37/12/491283712.db2.gz UBAJBRALYUBXDA-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1F ZINC000419016867 489819351 /nfs/dbraw/zinc/81/93/51/489819351.db2.gz AEJAPRAEOCLPDW-UHFFFAOYSA-N 2 1 359.405 0.758 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419017551 489819679 /nfs/dbraw/zinc/81/96/79/489819679.db2.gz BBMYDKFNDRZDGM-LVQVYYBASA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419021351 489821025 /nfs/dbraw/zinc/82/10/25/489821025.db2.gz GXXSTLIRLUWJHH-XUWVNRHRSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000460023739 489821628 /nfs/dbraw/zinc/82/16/28/489821628.db2.gz RYNUAIUGRCSVOR-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000460023739 489821633 /nfs/dbraw/zinc/82/16/33/489821633.db2.gz RYNUAIUGRCSVOR-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419027286 489823755 /nfs/dbraw/zinc/82/37/55/489823755.db2.gz OIUMDPDXZDWRKQ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH+](C)[C@@H](C)C3)CC2)CCO1 ZINC000460047049 489831973 /nfs/dbraw/zinc/83/19/73/489831973.db2.gz FFSDQTMWBGINRG-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH+](C)[C@@H](C)C3)CC2)CCO1 ZINC000460047049 489831978 /nfs/dbraw/zinc/83/19/78/489831978.db2.gz FFSDQTMWBGINRG-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)CC2)CCO1 ZINC000460047049 489831982 /nfs/dbraw/zinc/83/19/82/489831982.db2.gz FFSDQTMWBGINRG-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)CC2)CCO1 ZINC000460047049 489831987 /nfs/dbraw/zinc/83/19/87/489831987.db2.gz FFSDQTMWBGINRG-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419047001 489832993 /nfs/dbraw/zinc/83/29/93/489832993.db2.gz RALJBVAKGKNMGN-QAPCUYQASA-N 2 1 356.470 0.974 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C1 ZINC000419046083 489833448 /nfs/dbraw/zinc/83/34/48/489833448.db2.gz XLTUFHNTSSWAFX-CVEARBPZSA-N 2 1 370.538 0.683 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419047056 489834256 /nfs/dbraw/zinc/83/42/56/489834256.db2.gz RGJOVGBORCCDSX-HRCADAONSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)N1CC[NH+](C)CC1 ZINC000492686259 489834946 /nfs/dbraw/zinc/83/49/46/489834946.db2.gz YMYHHYSQVYEVCY-GUDVDZBRSA-N 2 1 365.566 0.639 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419057920 489838253 /nfs/dbraw/zinc/83/82/53/489838253.db2.gz ASBYBOASMQOAKO-KLHDSHLOSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419057926 489838315 /nfs/dbraw/zinc/83/83/15/489838315.db2.gz ASEKFUIUYRCKNC-KLHDSHLOSA-N 2 1 368.522 0.719 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000460061067 489839153 /nfs/dbraw/zinc/83/91/53/489839153.db2.gz LZYUYROCBJFVNF-DOTOQJQBSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000460061067 489839157 /nfs/dbraw/zinc/83/91/57/489839157.db2.gz LZYUYROCBJFVNF-DOTOQJQBSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)N1 ZINC000419083037 489848888 /nfs/dbraw/zinc/84/88/88/489848888.db2.gz JUMVYCNULFXLKQ-NMWPEEMBSA-N 2 1 354.495 0.199 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000564002763 491283014 /nfs/dbraw/zinc/28/30/14/491283014.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000564002763 491283016 /nfs/dbraw/zinc/28/30/16/491283016.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000564002763 491283017 /nfs/dbraw/zinc/28/30/17/491283017.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000564002763 491283019 /nfs/dbraw/zinc/28/30/19/491283019.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000564002763 491283021 /nfs/dbraw/zinc/28/30/21/491283021.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 2 1 355.527 0.375 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419088355 489851476 /nfs/dbraw/zinc/85/14/76/489851476.db2.gz RDUIKHAIAJRSAU-QKPAOTATSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419088355 489851478 /nfs/dbraw/zinc/85/14/78/489851478.db2.gz RDUIKHAIAJRSAU-QKPAOTATSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419089256 489852196 /nfs/dbraw/zinc/85/21/96/489852196.db2.gz SUOKUGMYBVQXCZ-QLFBSQMISA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419089256 489852198 /nfs/dbraw/zinc/85/21/98/489852198.db2.gz SUOKUGMYBVQXCZ-QLFBSQMISA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000419089509 489852323 /nfs/dbraw/zinc/85/23/23/489852323.db2.gz TXLKMUICLHDZMZ-OKILXGFUSA-N 2 1 356.511 0.434 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000419089509 489852326 /nfs/dbraw/zinc/85/23/26/489852326.db2.gz TXLKMUICLHDZMZ-OKILXGFUSA-N 2 1 356.511 0.434 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419092437 489853491 /nfs/dbraw/zinc/85/34/91/489853491.db2.gz XJHWUBNUALHIOT-KBPBESRZSA-N 2 1 356.511 0.624 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419110680 489859072 /nfs/dbraw/zinc/85/90/72/489859072.db2.gz CLBSBYMOUBYSNZ-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419115423 489861422 /nfs/dbraw/zinc/86/14/22/489861422.db2.gz JNSQGIYGSUMOCQ-HOTGVXAUSA-N 2 1 354.495 0.093 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000419117986 489863132 /nfs/dbraw/zinc/86/31/32/489863132.db2.gz MZDGTZPDXCPAEG-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118043 489863423 /nfs/dbraw/zinc/86/34/23/489863423.db2.gz NLZVJOFKLUZVIC-DOTOQJQBSA-N 2 1 368.522 0.355 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000476088009 489867548 /nfs/dbraw/zinc/86/75/48/489867548.db2.gz DMIJFNXZFLBPGW-UHFFFAOYSA-N 2 1 360.462 0.799 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419125105 489868876 /nfs/dbraw/zinc/86/88/76/489868876.db2.gz ZDJWUSOZUXETJQ-HOTGVXAUSA-N 2 1 356.511 0.339 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625872 489876603 /nfs/dbraw/zinc/87/66/03/489876603.db2.gz IYGWFDMTGQYPCQ-CQSZACIVSA-N 2 1 367.498 0.693 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419999763 489877333 /nfs/dbraw/zinc/87/73/33/489877333.db2.gz SLNSXGBHVLAJEE-WBVHZDCISA-N 2 1 361.490 0.748 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CCCO1 ZINC000433389989 489881311 /nfs/dbraw/zinc/88/13/11/489881311.db2.gz NIMIAIKSJRNTGA-AWEZNQCLSA-N 2 1 352.483 0.786 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CCCO1 ZINC000433389989 489881317 /nfs/dbraw/zinc/88/13/17/489881317.db2.gz NIMIAIKSJRNTGA-AWEZNQCLSA-N 2 1 352.483 0.786 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000377313878 489883186 /nfs/dbraw/zinc/88/31/86/489883186.db2.gz AATXGABELNXJKD-AEFFLSMTSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC000433451434 489885430 /nfs/dbraw/zinc/88/54/30/489885430.db2.gz BVZZMEZZQHJCPL-ZWKOTPCHSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420039851 489890021 /nfs/dbraw/zinc/89/00/21/489890021.db2.gz OGZFDBIHTZOHAD-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420053091 489894839 /nfs/dbraw/zinc/89/48/39/489894839.db2.gz GDYPRPVQKYDBDG-GXTWGEPZSA-N 2 1 351.451 0.269 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000420064952 489899939 /nfs/dbraw/zinc/89/99/39/489899939.db2.gz PFOQPPDUQXILHB-KRWDZBQOSA-N 2 1 350.507 0.955 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420086287 489907020 /nfs/dbraw/zinc/90/70/20/489907020.db2.gz YWAYXDIXWMVXCS-UHFFFAOYSA-N 2 1 355.527 0.105 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420086287 489907024 /nfs/dbraw/zinc/90/70/24/489907024.db2.gz YWAYXDIXWMVXCS-UHFFFAOYSA-N 2 1 355.527 0.105 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420089464 489908322 /nfs/dbraw/zinc/90/83/22/489908322.db2.gz SCTWAONKRSMOQT-MRXNPFEDSA-N 2 1 361.490 0.835 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000420093587 489908967 /nfs/dbraw/zinc/90/89/67/489908967.db2.gz PXLSCMVPWOAZBZ-CALCHBBNSA-N 2 1 356.470 0.574 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000420099387 489911237 /nfs/dbraw/zinc/91/12/37/489911237.db2.gz JNFCWPCKQJOGFQ-AWEZNQCLSA-N 2 1 374.485 0.210 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000420099387 489911241 /nfs/dbraw/zinc/91/12/41/489911241.db2.gz JNFCWPCKQJOGFQ-AWEZNQCLSA-N 2 1 374.485 0.210 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000434284696 489920590 /nfs/dbraw/zinc/92/05/90/489920590.db2.gz CFLNMFNHWBKSKR-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000434284696 489920593 /nfs/dbraw/zinc/92/05/93/489920593.db2.gz CFLNMFNHWBKSKR-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169703 491290245 /nfs/dbraw/zinc/29/02/45/491290245.db2.gz YAVXQTCOODHJPB-BRWVUGGUSA-N 2 1 363.506 0.608 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299652 489961529 /nfs/dbraw/zinc/96/15/29/489961529.db2.gz UEOVNXYDXQIIQU-RYUDHWBXSA-N 2 1 350.385 0.327 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420310486 489962716 /nfs/dbraw/zinc/96/27/16/489962716.db2.gz PXWAUIZSIWOEAZ-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867507 489963393 /nfs/dbraw/zinc/96/33/93/489963393.db2.gz FDILKAKBEJKWEW-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324989 489963710 /nfs/dbraw/zinc/96/37/10/489963710.db2.gz HTJRGYGJPSGYBR-ZHALLVOQSA-N 2 1 358.486 0.911 20 0 FCADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349663 489966190 /nfs/dbraw/zinc/96/61/90/489966190.db2.gz PZYCWCCYOMMSSR-MSOLQXFVSA-N 2 1 360.502 0.858 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374768 489969591 /nfs/dbraw/zinc/96/95/91/489969591.db2.gz SJLIKEXXHAEMSI-ZWKOTPCHSA-N 2 1 354.539 0.957 20 0 FCADMP COC[C@@H](C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000477506633 489970365 /nfs/dbraw/zinc/97/03/65/489970365.db2.gz JJTCWBKTJIGFGF-MRXNPFEDSA-N 2 1 370.519 0.796 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406289 489972878 /nfs/dbraw/zinc/97/28/78/489972878.db2.gz QZGUHWPPLZCHJP-XIRDDKMYSA-N 2 1 365.522 0.901 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406289 489972880 /nfs/dbraw/zinc/97/28/80/489972880.db2.gz QZGUHWPPLZCHJP-XIRDDKMYSA-N 2 1 365.522 0.901 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619548 489978098 /nfs/dbraw/zinc/97/80/98/489978098.db2.gz YJDUYWSCFRGOPR-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000477678784 489984070 /nfs/dbraw/zinc/98/40/70/489984070.db2.gz NWRHEHJIFFNEMN-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000477675405 489984108 /nfs/dbraw/zinc/98/41/08/489984108.db2.gz GNOISISEFVIVHH-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000477678786 489984259 /nfs/dbraw/zinc/98/42/59/489984259.db2.gz NWRHEHJIFFNEMN-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477874182 489994639 /nfs/dbraw/zinc/99/46/39/489994639.db2.gz FSLGVJKOZZPRIO-QAETUUGQSA-N 2 1 356.511 0.582 20 0 FCADMP CNc1nc(N(C)C[C@H]2CCC[N@H+]2C)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420643927 490003617 /nfs/dbraw/zinc/00/36/17/490003617.db2.gz XYXOQQBGOBYZJE-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP CNc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420643927 490003620 /nfs/dbraw/zinc/00/36/20/490003620.db2.gz XYXOQQBGOBYZJE-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP CNc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420643927 490003624 /nfs/dbraw/zinc/00/36/24/490003624.db2.gz XYXOQQBGOBYZJE-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000478067475 490004023 /nfs/dbraw/zinc/00/40/23/490004023.db2.gz ZIZPWHZGXPCQBA-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP COCC[C@@H](C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000463678345 490024352 /nfs/dbraw/zinc/02/43/52/490024352.db2.gz PHUHYIKETPQFSR-MRXNPFEDSA-N 2 1 370.519 0.938 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000420904861 490030742 /nfs/dbraw/zinc/03/07/42/490030742.db2.gz PXPYTFKDDSAMEI-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000420904861 490030746 /nfs/dbraw/zinc/03/07/46/490030746.db2.gz PXPYTFKDDSAMEI-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000420904861 490030749 /nfs/dbraw/zinc/03/07/49/490030749.db2.gz PXPYTFKDDSAMEI-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000420916422 490031586 /nfs/dbraw/zinc/03/15/86/490031586.db2.gz OLGVZSIXAFESOF-HXUWFJFHSA-N 2 1 363.502 0.644 20 0 FCADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000420916422 490031589 /nfs/dbraw/zinc/03/15/89/490031589.db2.gz OLGVZSIXAFESOF-HXUWFJFHSA-N 2 1 363.502 0.644 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000478877369 490048133 /nfs/dbraw/zinc/04/81/33/490048133.db2.gz WGGMEMMZDLBGJP-INIZCTEOSA-N 2 1 364.490 0.835 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058089 490066054 /nfs/dbraw/zinc/06/60/54/490066054.db2.gz JDKPKBHGUZXPTQ-ZDUSSCGKSA-N 2 1 366.487 0.284 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479201605 490072715 /nfs/dbraw/zinc/07/27/15/490072715.db2.gz ISCWKVCHMTVVPL-IAGOWNOFSA-N 2 1 364.465 0.927 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479205215 490073770 /nfs/dbraw/zinc/07/37/70/490073770.db2.gz CBHDZKARHMKFPR-MRXNPFEDSA-N 2 1 350.438 0.537 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955943 490073930 /nfs/dbraw/zinc/07/39/30/490073930.db2.gz ZMJDAJBOANARQZ-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955943 490073933 /nfs/dbraw/zinc/07/39/33/490073933.db2.gz ZMJDAJBOANARQZ-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955943 490073935 /nfs/dbraw/zinc/07/39/35/490073935.db2.gz ZMJDAJBOANARQZ-JKSUJKDBSA-N 2 1 353.511 0.603 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479205213 490073950 /nfs/dbraw/zinc/07/39/50/490073950.db2.gz CBHDZKARHMKFPR-INIZCTEOSA-N 2 1 350.438 0.537 20 0 FCADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000495659979 490086527 /nfs/dbraw/zinc/08/65/27/490086527.db2.gz ZEQUVPFQUNCPIS-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000532672974 490094724 /nfs/dbraw/zinc/09/47/24/490094724.db2.gz BMEMFSPZFHJIBP-RTBURBONSA-N 2 1 366.550 0.898 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000421724450 490098742 /nfs/dbraw/zinc/09/87/42/490098742.db2.gz BSKBLUXVTYCIDJ-WMLDXEAASA-N 2 1 356.536 0.481 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421710173 490099944 /nfs/dbraw/zinc/09/99/44/490099944.db2.gz JFZQCSYQTXRNTN-UYTYNIKBSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000421710173 490099951 /nfs/dbraw/zinc/09/99/51/490099951.db2.gz JFZQCSYQTXRNTN-UYTYNIKBSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCC[N@H+]2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000421710173 490099956 /nfs/dbraw/zinc/09/99/56/490099956.db2.gz JFZQCSYQTXRNTN-UYTYNIKBSA-N 2 1 364.534 0.974 20 0 FCADMP CC1[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@@H]1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421710172 490100003 /nfs/dbraw/zinc/10/00/03/490100003.db2.gz JFZQCSYQTXRNTN-BRSBDYLESA-N 2 1 364.534 0.974 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727328 490101732 /nfs/dbraw/zinc/10/17/32/490101732.db2.gz WMARJORJUTWQJS-RHSMWYFYSA-N 2 1 356.536 0.388 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)C[C@H]3C)n2)[C@@H](C)C1 ZINC000571310014 491299482 /nfs/dbraw/zinc/29/94/82/491299482.db2.gz POJLGHJIWVMGDU-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000571310014 491299484 /nfs/dbraw/zinc/29/94/84/491299484.db2.gz POJLGHJIWVMGDU-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000571310014 491299485 /nfs/dbraw/zinc/29/94/85/491299485.db2.gz POJLGHJIWVMGDU-GASCZTMLSA-N 2 1 362.526 0.396 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C[C@@H](C)O1 ZINC000520228385 490119245 /nfs/dbraw/zinc/11/92/45/490119245.db2.gz JEZUWDFEOUGDBB-GPMSIDNRSA-N 2 1 360.502 0.929 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414220 490120334 /nfs/dbraw/zinc/12/03/34/490120334.db2.gz VRFNAQGCOOZSPU-SJLPKXTDSA-N 2 1 356.511 0.347 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414220 490120339 /nfs/dbraw/zinc/12/03/39/490120339.db2.gz VRFNAQGCOOZSPU-SJLPKXTDSA-N 2 1 356.511 0.347 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@@H+]1C ZINC000571326595 491300808 /nfs/dbraw/zinc/30/08/08/491300808.db2.gz IKKZJAMYAZYGMM-MSOLQXFVSA-N 2 1 358.486 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@H+]1C ZINC000571326595 491300810 /nfs/dbraw/zinc/30/08/10/491300810.db2.gz IKKZJAMYAZYGMM-MSOLQXFVSA-N 2 1 358.486 0.870 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[N@H+]1C1CC1 ZINC000571324421 491300875 /nfs/dbraw/zinc/30/08/75/491300875.db2.gz XBIWMWIBGLRNKR-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324421 491300876 /nfs/dbraw/zinc/30/08/76/491300876.db2.gz XBIWMWIBGLRNKR-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324421 491300878 /nfs/dbraw/zinc/30/08/78/491300878.db2.gz XBIWMWIBGLRNKR-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1=O ZINC000422012802 490125477 /nfs/dbraw/zinc/12/54/77/490125477.db2.gz CJCMUQZBIPCLSQ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1=O ZINC000422012802 490125483 /nfs/dbraw/zinc/12/54/83/490125483.db2.gz CJCMUQZBIPCLSQ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1=O ZINC000422012802 490125492 /nfs/dbraw/zinc/12/54/92/490125492.db2.gz CJCMUQZBIPCLSQ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000379674819 490126898 /nfs/dbraw/zinc/12/68/98/490126898.db2.gz VKZGNGVWLXJEAD-NVXWUHKLSA-N 2 1 355.504 0.805 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000479829413 490127330 /nfs/dbraw/zinc/12/73/30/490127330.db2.gz OTBDOKQWJDAGQE-YHUYYLMFSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479829413 490127336 /nfs/dbraw/zinc/12/73/36/490127336.db2.gz OTBDOKQWJDAGQE-YHUYYLMFSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000479829413 490127345 /nfs/dbraw/zinc/12/73/45/490127345.db2.gz OTBDOKQWJDAGQE-YHUYYLMFSA-N 2 1 362.518 0.964 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852911 490147311 /nfs/dbraw/zinc/14/73/11/490147311.db2.gz XTRXHPDICZKTMQ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852911 490147314 /nfs/dbraw/zinc/14/73/14/490147314.db2.gz XTRXHPDICZKTMQ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852911 490147316 /nfs/dbraw/zinc/14/73/16/490147316.db2.gz XTRXHPDICZKTMQ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465838558 490147337 /nfs/dbraw/zinc/14/73/37/490147337.db2.gz FBLVUGYQINROFI-UHFFFAOYSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460152 490151094 /nfs/dbraw/zinc/15/10/94/490151094.db2.gz ZAFGTTFMMUEXCN-RDJZCZTQSA-N 2 1 366.506 0.322 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480030206 490152247 /nfs/dbraw/zinc/15/22/47/490152247.db2.gz IFSMYNWZHXWBTH-JKSUJKDBSA-N 2 1 364.494 0.728 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947095 490155968 /nfs/dbraw/zinc/15/59/68/490155968.db2.gz HQQWTCJKDBKBFD-SJORKVTESA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947095 490155974 /nfs/dbraw/zinc/15/59/74/490155974.db2.gz HQQWTCJKDBKBFD-SJORKVTESA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947095 490155981 /nfs/dbraw/zinc/15/59/81/490155981.db2.gz HQQWTCJKDBKBFD-SJORKVTESA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000465964754 490158499 /nfs/dbraw/zinc/15/84/99/490158499.db2.gz ZTUURYFJOIAMDU-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422121158 490174197 /nfs/dbraw/zinc/17/41/97/490174197.db2.gz QVDYEAIKIWYWBC-RDJZCZTQSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422121158 490174207 /nfs/dbraw/zinc/17/42/07/490174207.db2.gz QVDYEAIKIWYWBC-RDJZCZTQSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422121158 490174213 /nfs/dbraw/zinc/17/42/13/490174213.db2.gz QVDYEAIKIWYWBC-RDJZCZTQSA-N 2 1 366.506 0.251 20 0 FCADMP C[NH+](C)CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCO1 ZINC000520660224 490175862 /nfs/dbraw/zinc/17/58/62/490175862.db2.gz JYYXMLTWLBLROH-GOSISDBHSA-N 2 1 362.522 0.771 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242596 491305171 /nfs/dbraw/zinc/30/51/71/491305171.db2.gz RADVWKCVRSNICT-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242597 491305294 /nfs/dbraw/zinc/30/52/94/491305294.db2.gz RADVWKCVRSNICT-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000571404393 491305385 /nfs/dbraw/zinc/30/53/85/491305385.db2.gz ZSVAPWBZDOBZSJ-YNBOMUFVSA-N 2 1 365.522 0.806 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000466502800 490192457 /nfs/dbraw/zinc/19/24/57/490192457.db2.gz ITYJZFQYAVVRTE-IIAWOOMASA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502800 490192465 /nfs/dbraw/zinc/19/24/65/490192465.db2.gz ITYJZFQYAVVRTE-IIAWOOMASA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502800 490192475 /nfs/dbraw/zinc/19/24/75/490192475.db2.gz ITYJZFQYAVVRTE-IIAWOOMASA-N 2 1 351.495 0.356 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@H]2C1 ZINC000497676571 490193455 /nfs/dbraw/zinc/19/34/55/490193455.db2.gz IIDKKTAWMFBRMN-MSOLQXFVSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@H]2C1 ZINC000497676571 490193462 /nfs/dbraw/zinc/19/34/62/490193462.db2.gz IIDKKTAWMFBRMN-MSOLQXFVSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@H]2C1 ZINC000497676571 490193469 /nfs/dbraw/zinc/19/34/69/490193469.db2.gz IIDKKTAWMFBRMN-MSOLQXFVSA-N 2 1 367.538 0.112 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000571418785 491306480 /nfs/dbraw/zinc/30/64/80/491306480.db2.gz NNJZABZOMPKREG-RTBURBONSA-N 2 1 359.518 0.848 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000480615236 490215547 /nfs/dbraw/zinc/21/55/47/490215547.db2.gz RWZSTFSIBSOBRN-CQSZACIVSA-N 2 1 357.520 0.815 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000571442875 491308367 /nfs/dbraw/zinc/30/83/67/491308367.db2.gz YTYHAHNRPUBKJD-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000571442875 491308369 /nfs/dbraw/zinc/30/83/69/491308369.db2.gz YTYHAHNRPUBKJD-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000571442875 491308371 /nfs/dbraw/zinc/30/83/71/491308371.db2.gz YTYHAHNRPUBKJD-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000571442875 491308372 /nfs/dbraw/zinc/30/83/72/491308372.db2.gz YTYHAHNRPUBKJD-QXCFHYIPSA-N 2 1 361.486 0.441 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414637 490218925 /nfs/dbraw/zinc/21/89/25/490218925.db2.gz PSZISRSAHOLJKO-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000497852025 490222404 /nfs/dbraw/zinc/22/24/04/490222404.db2.gz HJOSBUZONNQDCD-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497852025 490222411 /nfs/dbraw/zinc/22/24/11/490222411.db2.gz HJOSBUZONNQDCD-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497852025 490222419 /nfs/dbraw/zinc/22/24/19/490222419.db2.gz HJOSBUZONNQDCD-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CSCC[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498070140 490254530 /nfs/dbraw/zinc/25/45/30/490254530.db2.gz BCQPPBPGIKMFNP-HNNXBMFYSA-N 2 1 356.536 0.470 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000498083502 490257342 /nfs/dbraw/zinc/25/73/42/490257342.db2.gz CCGCFLSORJMJPD-HUUCEWRRSA-N 2 1 351.520 0.789 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000498088485 490259040 /nfs/dbraw/zinc/25/90/40/490259040.db2.gz KJLDMLZTZIRVOW-VQBCORBOSA-N 2 1 362.518 0.940 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344037 490270007 /nfs/dbraw/zinc/27/00/07/490270007.db2.gz USASOMCAOFDZBE-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344037 490270017 /nfs/dbraw/zinc/27/00/17/490270017.db2.gz USASOMCAOFDZBE-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344037 490270022 /nfs/dbraw/zinc/27/00/22/490270022.db2.gz USASOMCAOFDZBE-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000422348747 490271965 /nfs/dbraw/zinc/27/19/65/490271965.db2.gz GDALEPAQOMABEA-SFHVURJKSA-N 2 1 372.513 0.754 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000498236650 490275517 /nfs/dbraw/zinc/27/55/17/490275517.db2.gz AFOVMIQDDXDVAZ-GJZGRUSLSA-N 2 1 353.511 0.663 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000498236650 490275518 /nfs/dbraw/zinc/27/55/18/490275518.db2.gz AFOVMIQDDXDVAZ-GJZGRUSLSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000507925379 490278606 /nfs/dbraw/zinc/27/86/06/490278606.db2.gz QNTQNUKVMWUTLN-HMQMGEFJSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000507925379 490278615 /nfs/dbraw/zinc/27/86/15/490278615.db2.gz QNTQNUKVMWUTLN-HMQMGEFJSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000507925379 490278621 /nfs/dbraw/zinc/27/86/21/490278621.db2.gz QNTQNUKVMWUTLN-HMQMGEFJSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000507925379 490278626 /nfs/dbraw/zinc/27/86/26/490278626.db2.gz QNTQNUKVMWUTLN-HMQMGEFJSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H]1C ZINC000521591433 490278953 /nfs/dbraw/zinc/27/89/53/490278953.db2.gz WMCFDJGNHLLYBW-YZDRTPDPSA-N 2 1 351.495 0.462 20 0 FCADMP C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447919337 490293932 /nfs/dbraw/zinc/29/39/32/490293932.db2.gz DSZMEIXXGSXEAR-JCHJZTRSSA-N 2 1 361.486 0.895 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000571554968 491315796 /nfs/dbraw/zinc/31/57/96/491315796.db2.gz FXZDXEKCJDEUOQ-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000483333299 490309272 /nfs/dbraw/zinc/30/92/72/490309272.db2.gz LLCRLLIFHUMBJI-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897324 490310094 /nfs/dbraw/zinc/31/00/94/490310094.db2.gz BGJMKTBTVMGNDH-DOTOQJQBSA-N 2 1 361.490 0.476 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000483426927 490316923 /nfs/dbraw/zinc/31/69/23/490316923.db2.gz ASFASAJXRVDKMH-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000483426927 490316928 /nfs/dbraw/zinc/31/69/28/490316928.db2.gz ASFASAJXRVDKMH-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467707317 490332130 /nfs/dbraw/zinc/33/21/30/490332130.db2.gz XLLUDJAISJLAGQ-DJSILETISA-N 2 1 351.491 0.807 20 0 FCADMP CC[C@]1(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707771 490332970 /nfs/dbraw/zinc/33/29/70/490332970.db2.gz USFHBEGRLNILPH-IEBWSBKVSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565358120 491371440 /nfs/dbraw/zinc/37/14/40/491371440.db2.gz ICNWNVZLLHPENW-SCTDSRPQSA-N 2 1 357.539 0.936 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508635259 490342809 /nfs/dbraw/zinc/34/28/09/490342809.db2.gz XQMKTBJOQPBIGZ-KSZLIROESA-N 2 1 354.539 0.874 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508635259 490342816 /nfs/dbraw/zinc/34/28/16/490342816.db2.gz XQMKTBJOQPBIGZ-KSZLIROESA-N 2 1 354.539 0.874 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422493302 490358391 /nfs/dbraw/zinc/35/83/91/490358391.db2.gz PXWGJUODYQMAHH-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422493302 490358400 /nfs/dbraw/zinc/35/84/00/490358400.db2.gz PXWGJUODYQMAHH-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422493302 490358412 /nfs/dbraw/zinc/35/84/12/490358412.db2.gz PXWGJUODYQMAHH-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422493302 490358423 /nfs/dbraw/zinc/35/84/23/490358423.db2.gz PXWGJUODYQMAHH-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000498934663 490365616 /nfs/dbraw/zinc/36/56/16/490365616.db2.gz BVPXRORVSMLJEW-QGZVFWFLSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000498934663 490365620 /nfs/dbraw/zinc/36/56/20/490365620.db2.gz BVPXRORVSMLJEW-QGZVFWFLSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000498934663 490365624 /nfs/dbraw/zinc/36/56/24/490365624.db2.gz BVPXRORVSMLJEW-QGZVFWFLSA-N 2 1 350.507 0.991 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000449120695 490403223 /nfs/dbraw/zinc/40/32/23/490403223.db2.gz DSWVFHBARALEAK-LXPRWKDFSA-N 2 1 352.523 0.901 20 0 FCADMP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1CC(C)(C)O ZINC000548032947 490409354 /nfs/dbraw/zinc/40/93/54/490409354.db2.gz LQWMPSNMXRRRNB-QGZVFWFLSA-N 2 1 369.554 0.501 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339896 490409559 /nfs/dbraw/zinc/40/95/59/490409559.db2.gz LNHDOKXVHZPPTM-JXFKEZNVSA-N 2 1 358.486 0.621 20 0 FCADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449398011 490410763 /nfs/dbraw/zinc/41/07/63/490410763.db2.gz SLDDKGHZOOFIMO-FXAWDEMLSA-N 2 1 356.470 0.341 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CN1CN=NC1=O ZINC000548041450 490411373 /nfs/dbraw/zinc/41/13/73/490411373.db2.gz UCMWJOXHGGQQLF-UHFFFAOYSA-N 2 1 364.494 0.638 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449360770 490411710 /nfs/dbraw/zinc/41/17/10/490411710.db2.gz IQFDOZGYGHPDMY-FQEVSTJZSA-N 2 1 358.486 0.540 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411247308 490413252 /nfs/dbraw/zinc/41/32/52/490413252.db2.gz UKNJGPHZXXGVHK-UHFFFAOYSA-N 2 1 350.463 0.690 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1F ZINC000411355894 490436609 /nfs/dbraw/zinc/43/66/09/490436609.db2.gz ZUUWXXGZLIVDBC-UHFFFAOYSA-N 2 1 352.410 0.527 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411369461 490440366 /nfs/dbraw/zinc/44/03/66/490440366.db2.gz LSWVFHFAHWROPA-UHFFFAOYSA-N 2 1 350.463 0.426 20 0 FCADMP CS[C@@H]1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCCC1 ZINC000484626379 490449901 /nfs/dbraw/zinc/44/99/01/490449901.db2.gz ITMYNYFYULIZIQ-CWQOZTLDSA-N 2 1 357.564 0.968 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000509706601 490453520 /nfs/dbraw/zinc/45/35/20/490453520.db2.gz PMVXUWMZHDBNAC-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000484703484 490457992 /nfs/dbraw/zinc/45/79/92/490457992.db2.gz FMXSQEBYXSJOPE-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000484703484 490458003 /nfs/dbraw/zinc/45/80/03/490458003.db2.gz FMXSQEBYXSJOPE-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000484703484 490458007 /nfs/dbraw/zinc/45/80/07/490458007.db2.gz FMXSQEBYXSJOPE-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000509739910 490459230 /nfs/dbraw/zinc/45/92/30/490459230.db2.gz WTBNCDZUMCDHCY-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000509739910 490459237 /nfs/dbraw/zinc/45/92/37/490459237.db2.gz WTBNCDZUMCDHCY-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000509739910 490459244 /nfs/dbraw/zinc/45/92/44/490459244.db2.gz WTBNCDZUMCDHCY-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC000468945754 490467043 /nfs/dbraw/zinc/46/70/43/490467043.db2.gz LFLGKFDFGGJQPU-SFHVURJKSA-N 2 1 365.474 0.590 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC000468945754 490467051 /nfs/dbraw/zinc/46/70/51/490467051.db2.gz LFLGKFDFGGJQPU-SFHVURJKSA-N 2 1 365.474 0.590 20 0 FCADMP COCC[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000468945754 490467054 /nfs/dbraw/zinc/46/70/54/490467054.db2.gz LFLGKFDFGGJQPU-SFHVURJKSA-N 2 1 365.474 0.590 20 0 FCADMP COCC[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000468945754 490467062 /nfs/dbraw/zinc/46/70/62/490467062.db2.gz LFLGKFDFGGJQPU-SFHVURJKSA-N 2 1 365.474 0.590 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422759569 490472139 /nfs/dbraw/zinc/47/21/39/490472139.db2.gz LAIYDXPMHVOERY-CABCVRRESA-N 2 1 354.520 0.838 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484874479 490473978 /nfs/dbraw/zinc/47/39/78/490473978.db2.gz DPRICRWDDCMZGM-OAGGEKHMSA-N 2 1 364.490 0.988 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)N2CCN(CC)CC2)CC[NH2+]CC1 ZINC000422857118 490486349 /nfs/dbraw/zinc/48/63/49/490486349.db2.gz GYALCSLUASNJKM-SJORKVTESA-N 2 1 354.539 0.923 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980170 490509921 /nfs/dbraw/zinc/50/99/21/490509921.db2.gz OSNHDWJAYBPJAK-DLBZAZTESA-N 2 1 355.523 0.990 20 0 FCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025390 490523022 /nfs/dbraw/zinc/52/30/22/490523022.db2.gz LRBADIKGYDSGRS-UHOSZYNNSA-N 2 1 362.518 0.632 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391186 490527761 /nfs/dbraw/zinc/52/77/61/490527761.db2.gz PSUCPKJRTFSKRT-HOTGVXAUSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391186 490527770 /nfs/dbraw/zinc/52/77/70/490527770.db2.gz PSUCPKJRTFSKRT-HOTGVXAUSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391186 490527778 /nfs/dbraw/zinc/52/77/78/490527778.db2.gz PSUCPKJRTFSKRT-HOTGVXAUSA-N 2 1 353.511 0.557 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000423040678 490528959 /nfs/dbraw/zinc/52/89/59/490528959.db2.gz USZNDIGXVROAFA-HKUYNNGSSA-N 2 1 372.513 0.817 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063671 490533453 /nfs/dbraw/zinc/53/34/53/490533453.db2.gz XCFAVCCVUXONEE-QRVBRYPASA-N 2 1 370.497 0.787 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000571872476 491334087 /nfs/dbraw/zinc/33/40/87/491334087.db2.gz DZOOJFMIWSGETF-SOLBZPMBSA-N 2 1 358.486 0.915 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)CC1 ZINC000524481113 490541094 /nfs/dbraw/zinc/54/10/94/490541094.db2.gz JSYKZYNFFVSJOC-INIZCTEOSA-N 2 1 355.479 0.631 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC(=O)OC)C[C@@H]2CCCO2)CC1 ZINC000524481113 490541097 /nfs/dbraw/zinc/54/10/97/490541097.db2.gz JSYKZYNFFVSJOC-INIZCTEOSA-N 2 1 355.479 0.631 20 0 FCADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000556760893 491334590 /nfs/dbraw/zinc/33/45/90/491334590.db2.gz XSRJGLNUPPNAHQ-HOCLYGCPSA-N 2 1 364.494 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564908028 491335226 /nfs/dbraw/zinc/33/52/26/491335226.db2.gz ZOKSUJPVNUDBPD-OWCLPIDISA-N 2 1 364.494 0.731 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564908028 491335229 /nfs/dbraw/zinc/33/52/29/491335229.db2.gz ZOKSUJPVNUDBPD-OWCLPIDISA-N 2 1 364.494 0.731 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564916216 491335621 /nfs/dbraw/zinc/33/56/21/491335621.db2.gz UJRQMSLDSJXEBB-OKILXGFUSA-N 2 1 352.483 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564916216 491335623 /nfs/dbraw/zinc/33/56/23/491335623.db2.gz UJRQMSLDSJXEBB-OKILXGFUSA-N 2 1 352.483 0.635 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000564911355 491335788 /nfs/dbraw/zinc/33/57/88/491335788.db2.gz WSUUZZUGEKTMSN-SFHVURJKSA-N 2 1 373.501 0.631 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000500848351 490558876 /nfs/dbraw/zinc/55/88/76/490558876.db2.gz VDADCLOGPMWCNP-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000500848351 490558880 /nfs/dbraw/zinc/55/88/80/490558880.db2.gz VDADCLOGPMWCNP-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000500848351 490558884 /nfs/dbraw/zinc/55/88/84/490558884.db2.gz VDADCLOGPMWCNP-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524794356 490561344 /nfs/dbraw/zinc/56/13/44/490561344.db2.gz PRPOCNTZVODEBR-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000564929603 491338050 /nfs/dbraw/zinc/33/80/50/491338050.db2.gz NTFJNLZNAYVCIV-MRXNPFEDSA-N 2 1 371.489 0.567 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000571941754 491338939 /nfs/dbraw/zinc/33/89/39/491338939.db2.gz XVZPTKXLVYPBAW-YVSFHVDLSA-N 2 1 365.522 0.698 20 0 FCADMP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000536860442 490618406 /nfs/dbraw/zinc/61/84/06/490618406.db2.gz ZRVKAHCYBKTALI-GOEBONIOSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000536860442 490618411 /nfs/dbraw/zinc/61/84/11/490618411.db2.gz ZRVKAHCYBKTALI-GOEBONIOSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000550102676 490624826 /nfs/dbraw/zinc/62/48/26/490624826.db2.gz AJFNGDBQKYIVFO-HOTGVXAUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122044 490627397 /nfs/dbraw/zinc/62/73/97/490627397.db2.gz ONZRCHKSDZJROY-KSSFIOAISA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCC[N@H+]1C ZINC000501636746 490627652 /nfs/dbraw/zinc/62/76/52/490627652.db2.gz HWZZREILXZNROI-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636746 490627655 /nfs/dbraw/zinc/62/76/55/490627655.db2.gz HWZZREILXZNROI-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636746 490627659 /nfs/dbraw/zinc/62/76/59/490627659.db2.gz HWZZREILXZNROI-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1[NH+](C)C ZINC000501632856 490628590 /nfs/dbraw/zinc/62/85/90/490628590.db2.gz BJDKZQFWKXDWBJ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643392 490629559 /nfs/dbraw/zinc/62/95/59/490629559.db2.gz VWVPXAJFXTWMAS-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501643392 490629562 /nfs/dbraw/zinc/62/95/62/490629562.db2.gz VWVPXAJFXTWMAS-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501643392 490629569 /nfs/dbraw/zinc/62/95/69/490629569.db2.gz VWVPXAJFXTWMAS-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)C(C)(C)CCC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000486659261 490657749 /nfs/dbraw/zinc/65/77/49/490657749.db2.gz RZGAYTOLETZYRY-JKSUJKDBSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000486659261 490657755 /nfs/dbraw/zinc/65/77/55/490657755.db2.gz RZGAYTOLETZYRY-JKSUJKDBSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)CCC(C)(C)C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000486659261 490657760 /nfs/dbraw/zinc/65/77/60/490657760.db2.gz RZGAYTOLETZYRY-JKSUJKDBSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000550463835 490671644 /nfs/dbraw/zinc/67/16/44/490671644.db2.gz GGLYWSVOZHVZKU-INIZCTEOSA-N 2 1 350.507 0.991 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000556997136 491347714 /nfs/dbraw/zinc/34/77/14/491347714.db2.gz XRORHEZBJYSXCX-INIZCTEOSA-N 2 1 374.485 0.596 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000538135228 490715796 /nfs/dbraw/zinc/71/57/96/490715796.db2.gz HYTNREUJOBISPF-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000538135228 490715800 /nfs/dbraw/zinc/71/58/00/490715800.db2.gz HYTNREUJOBISPF-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000538135228 490715803 /nfs/dbraw/zinc/71/58/03/490715803.db2.gz HYTNREUJOBISPF-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000538135228 490715808 /nfs/dbraw/zinc/71/58/08/490715808.db2.gz HYTNREUJOBISPF-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP CCCn1c(N)c(C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(=O)[nH]c1=O ZINC000572112792 491349108 /nfs/dbraw/zinc/34/91/08/491349108.db2.gz BJVQOZPLAGZZHF-LBPRGKRZSA-N 2 1 363.462 0.588 20 0 FCADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557011345 491349412 /nfs/dbraw/zinc/34/94/12/491349412.db2.gz DNTBKVZFWQQYCG-MRXNPFEDSA-N 2 1 371.485 0.767 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502750543 490719692 /nfs/dbraw/zinc/71/96/92/490719692.db2.gz SKKHGPIJCDONQC-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC[N@@H+]1CCOC ZINC000557018312 491349825 /nfs/dbraw/zinc/34/98/25/491349825.db2.gz XIAHNFPWDDXMHA-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC[N@H+]1CCOC ZINC000557018312 491349827 /nfs/dbraw/zinc/34/98/27/491349827.db2.gz XIAHNFPWDDXMHA-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487671685 490724339 /nfs/dbraw/zinc/72/43/39/490724339.db2.gz GRQDWROGCIWXCC-DLBZAZTESA-N 2 1 356.511 0.632 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCC1=O ZINC000565069760 491350287 /nfs/dbraw/zinc/35/02/87/491350287.db2.gz KSNOGAHNQRWJJG-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469513 490732110 /nfs/dbraw/zinc/73/21/10/490732110.db2.gz PYBCPOYWUYROSK-CABCVRRESA-N 2 1 370.538 0.383 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469513 490732111 /nfs/dbraw/zinc/73/21/11/490732111.db2.gz PYBCPOYWUYROSK-CABCVRRESA-N 2 1 370.538 0.383 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660208286 493334183 /nfs/dbraw/zinc/33/41/83/493334183.db2.gz PJMMGWPZDWPDGG-INIZCTEOSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000488618717 490767825 /nfs/dbraw/zinc/76/78/25/490767825.db2.gz GQXDFTZXZSJZDF-LPHOPBHVSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488618717 490767826 /nfs/dbraw/zinc/76/78/26/490767826.db2.gz GQXDFTZXZSJZDF-LPHOPBHVSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000488618717 490767829 /nfs/dbraw/zinc/76/78/29/490767829.db2.gz GQXDFTZXZSJZDF-LPHOPBHVSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000557116718 491354141 /nfs/dbraw/zinc/35/41/41/491354141.db2.gz BLSFBCVWQZUBMX-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCC(C)CC1 ZINC000557122175 491354654 /nfs/dbraw/zinc/35/46/54/491354654.db2.gz SZUGFWAOXXDVIN-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000514663377 490779931 /nfs/dbraw/zinc/77/99/31/490779931.db2.gz OHMTXJNNNCFAAO-INIZCTEOSA-N 2 1 356.430 0.440 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000503985380 490783977 /nfs/dbraw/zinc/78/39/77/490783977.db2.gz WUJCRUAIAKZRKE-UHFFFAOYSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132687 491355782 /nfs/dbraw/zinc/35/57/82/491355782.db2.gz CZKVXSVYSWLGST-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000557132687 491355783 /nfs/dbraw/zinc/35/57/83/491355783.db2.gz CZKVXSVYSWLGST-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000557132687 491355786 /nfs/dbraw/zinc/35/57/86/491355786.db2.gz CZKVXSVYSWLGST-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000514861882 490793534 /nfs/dbraw/zinc/79/35/34/490793534.db2.gz VKTQZMFMUOTUKE-ZQIUZPCESA-N 2 1 362.474 0.111 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000514924344 490798015 /nfs/dbraw/zinc/79/80/15/490798015.db2.gz CCSQWXROBLCYEI-MRXNPFEDSA-N 2 1 360.506 0.986 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514925116 490798101 /nfs/dbraw/zinc/79/81/01/490798101.db2.gz JNJDOJNWZZYTBN-QZTJIDSGSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000515011527 490803082 /nfs/dbraw/zinc/80/30/82/490803082.db2.gz ODCPECSNDLWQMG-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000515073134 490807501 /nfs/dbraw/zinc/80/75/01/490807501.db2.gz GFEQADRYCZEVBC-OALUTQOASA-N 2 1 357.502 0.950 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000515073954 490807681 /nfs/dbraw/zinc/80/76/81/490807681.db2.gz VQRXNWXRNCRBNA-ZDUSSCGKSA-N 2 1 351.451 0.541 20 0 FCADMP C[NH+](C)CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1-c1ccccc1 ZINC000504924136 490814803 /nfs/dbraw/zinc/81/48/03/490814803.db2.gz NKMWBDDELFQKHN-FQEVSTJZSA-N 2 1 371.485 0.908 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242945 491357822 /nfs/dbraw/zinc/35/78/22/491357822.db2.gz DOHTWDJSCHZMNB-UOVPBQLFSA-N 2 1 358.486 0.961 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000540566725 490828118 /nfs/dbraw/zinc/82/81/18/490828118.db2.gz QZLUIWLIMLJUIG-UHFFFAOYSA-N 2 1 373.457 0.503 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000540566725 490828121 /nfs/dbraw/zinc/82/81/21/490828121.db2.gz QZLUIWLIMLJUIG-UHFFFAOYSA-N 2 1 373.457 0.503 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000557184626 491358770 /nfs/dbraw/zinc/35/87/70/491358770.db2.gz WITUNBJFEMCXDT-RCCFBDPRSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000557184617 491358816 /nfs/dbraw/zinc/35/88/16/491358816.db2.gz WITUNBJFEMCXDT-KSZLIROESA-N 2 1 365.522 0.319 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1C ZINC000529316300 490850952 /nfs/dbraw/zinc/85/09/52/490850952.db2.gz NFPPDLHZCQMJDQ-MRXNPFEDSA-N 2 1 364.494 0.786 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000529322101 490851676 /nfs/dbraw/zinc/85/16/76/490851676.db2.gz KMALYOKIZNIDPC-ZWKOTPCHSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207288 490856672 /nfs/dbraw/zinc/85/66/72/490856672.db2.gz MSHUZCGXGSYJKD-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529379920 490858277 /nfs/dbraw/zinc/85/82/77/490858277.db2.gz LRGRSJOOXWKGHT-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP [NH3+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000516571174 490869085 /nfs/dbraw/zinc/86/90/85/490869085.db2.gz RWTJXINUKCMYRI-IRXDYDNUSA-N 2 1 366.506 0.430 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000542196599 490888775 /nfs/dbraw/zinc/88/87/75/490888775.db2.gz MWXYBBBFKOZVLU-NEWSRXKRSA-N 2 1 361.486 0.706 20 0 FCADMP O=C1[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1C1CCCCC1 ZINC000530124314 490889639 /nfs/dbraw/zinc/88/96/39/490889639.db2.gz GFFABFHTNCXIOQ-IBGZPJMESA-N 2 1 366.550 0.900 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000530429600 490905417 /nfs/dbraw/zinc/90/54/17/490905417.db2.gz JQWVPSCZUGVOAV-HZPDHXFCSA-N 2 1 369.535 0.967 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000517596298 490914313 /nfs/dbraw/zinc/91/43/13/490914313.db2.gz RPKGLGPDGBJILK-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000517596298 490914316 /nfs/dbraw/zinc/91/43/16/490914316.db2.gz RPKGLGPDGBJILK-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000517738690 490918846 /nfs/dbraw/zinc/91/88/46/490918846.db2.gz OSLWDPHYBWLRJR-IRXDYDNUSA-N 2 1 363.506 0.563 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301106 490951203 /nfs/dbraw/zinc/95/12/03/490951203.db2.gz XGVRNQXQWCIEIO-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301106 490951205 /nfs/dbraw/zinc/95/12/05/490951205.db2.gz XGVRNQXQWCIEIO-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300881 490951295 /nfs/dbraw/zinc/95/12/95/490951295.db2.gz XGKCPJFAUNTEQM-XLIONFOSSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000531300881 490951299 /nfs/dbraw/zinc/95/12/99/490951299.db2.gz XGKCPJFAUNTEQM-XLIONFOSSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(N1CC[NH+](C2CCOCC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531335567 490952710 /nfs/dbraw/zinc/95/27/10/490952710.db2.gz HBCWFIRULFDFDE-NRFANRHFSA-N 2 1 373.497 0.947 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000519226582 490965994 /nfs/dbraw/zinc/96/59/94/490965994.db2.gz PGDRDLIGXNKFQI-CABCVRRESA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000519226582 490965997 /nfs/dbraw/zinc/96/59/97/490965997.db2.gz PGDRDLIGXNKFQI-CABCVRRESA-N 2 1 364.490 0.051 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000519352166 490969591 /nfs/dbraw/zinc/96/95/91/490969591.db2.gz UOKPHDVLQKNZOV-INIZCTEOSA-N 2 1 351.495 0.500 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000519587356 490977909 /nfs/dbraw/zinc/97/79/09/490977909.db2.gz LONCKANIWOEGNH-QGZVFWFLSA-N 2 1 371.485 0.735 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519643550 490981490 /nfs/dbraw/zinc/98/14/90/490981490.db2.gz SVZGNZYQISZGBI-DOTOQJQBSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648699 491177720 /nfs/dbraw/zinc/17/77/20/491177720.db2.gz DQDCVSNBXYQUJR-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648699 491177723 /nfs/dbraw/zinc/17/77/23/491177723.db2.gz DQDCVSNBXYQUJR-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000569648699 491177725 /nfs/dbraw/zinc/17/77/25/491177725.db2.gz DQDCVSNBXYQUJR-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000569648699 491177728 /nfs/dbraw/zinc/17/77/28/491177728.db2.gz DQDCVSNBXYQUJR-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@@H]2C)CC1=O ZINC000565439907 491376642 /nfs/dbraw/zinc/37/66/42/491376642.db2.gz XIJTVIAXRIIDFI-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1=O ZINC000565439907 491376645 /nfs/dbraw/zinc/37/66/45/491376645.db2.gz XIJTVIAXRIIDFI-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1=O ZINC000565439907 491376650 /nfs/dbraw/zinc/37/66/50/491376650.db2.gz XIJTVIAXRIIDFI-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000557560764 491383089 /nfs/dbraw/zinc/38/30/89/491383089.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000557560764 491383091 /nfs/dbraw/zinc/38/30/91/491383091.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000557560764 491383093 /nfs/dbraw/zinc/38/30/93/491383093.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000557560764 491383095 /nfs/dbraw/zinc/38/30/95/491383095.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000557560764 491383096 /nfs/dbraw/zinc/38/30/96/491383096.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 2 1 367.538 0.070 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565548325 491384094 /nfs/dbraw/zinc/38/40/94/491384094.db2.gz GRALEAJMIXNFCM-OLZOCXBDSA-N 2 1 366.849 0.921 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565548325 491384097 /nfs/dbraw/zinc/38/40/97/491384097.db2.gz GRALEAJMIXNFCM-OLZOCXBDSA-N 2 1 366.849 0.921 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572736263 491390233 /nfs/dbraw/zinc/39/02/33/491390233.db2.gz OEWVHEMXCFJJFA-OCCSQVGLSA-N 2 1 373.409 0.972 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572736263 491390234 /nfs/dbraw/zinc/39/02/34/491390234.db2.gz OEWVHEMXCFJJFA-OCCSQVGLSA-N 2 1 373.409 0.972 20 0 FCADMP CCNc1nc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557670652 491390518 /nfs/dbraw/zinc/39/05/18/491390518.db2.gz YBUUTESOZWZYLY-UHFFFAOYSA-N 2 1 364.542 0.796 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000557694822 491391789 /nfs/dbraw/zinc/39/17/89/491391789.db2.gz PJGDYGPOEDXBIT-UHFFFAOYSA-N 2 1 373.501 0.887 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668361784 493339934 /nfs/dbraw/zinc/33/99/34/493339934.db2.gz JRFCWVCAYCGQBS-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)c1 ZINC000572832578 491396238 /nfs/dbraw/zinc/39/62/38/491396238.db2.gz KSPXZGSHQJDNQN-JKSUJKDBSA-N 2 1 357.458 0.107 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000572943899 491403278 /nfs/dbraw/zinc/40/32/78/491403278.db2.gz DUGQPHRBUHBFKI-SFHVURJKSA-N 2 1 373.501 0.628 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557958408 491406697 /nfs/dbraw/zinc/40/66/97/491406697.db2.gz PLHCMKPPNOCYFY-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557958408 491406699 /nfs/dbraw/zinc/40/66/99/491406699.db2.gz PLHCMKPPNOCYFY-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000557958408 491406702 /nfs/dbraw/zinc/40/67/02/491406702.db2.gz PLHCMKPPNOCYFY-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000557958408 491406705 /nfs/dbraw/zinc/40/67/05/491406705.db2.gz PLHCMKPPNOCYFY-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209458 491419630 /nfs/dbraw/zinc/41/96/30/491419630.db2.gz OHVUBKFLHKFVLH-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209458 491419631 /nfs/dbraw/zinc/41/96/31/491419631.db2.gz OHVUBKFLHKFVLH-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209458 491419632 /nfs/dbraw/zinc/41/96/32/491419632.db2.gz OHVUBKFLHKFVLH-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000558210943 491420176 /nfs/dbraw/zinc/42/01/76/491420176.db2.gz WYLBTMNESTUSBT-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP O=C(CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000573308554 491425444 /nfs/dbraw/zinc/42/54/44/491425444.db2.gz UACFHDCGTKZZEB-KRWDZBQOSA-N 2 1 359.474 0.382 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244166 491429937 /nfs/dbraw/zinc/42/99/37/491429937.db2.gz DBNSWYGNEDVJTQ-FYQPLNBISA-N 3 1 374.529 0.498 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244166 491429940 /nfs/dbraw/zinc/42/99/40/491429940.db2.gz DBNSWYGNEDVJTQ-FYQPLNBISA-N 2 1 374.529 0.498 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529760 493342468 /nfs/dbraw/zinc/34/24/68/493342468.db2.gz BUHMDSONRRLFOY-OALUTQOASA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529760 493342470 /nfs/dbraw/zinc/34/24/70/493342470.db2.gz BUHMDSONRRLFOY-OALUTQOASA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000558458578 491431766 /nfs/dbraw/zinc/43/17/66/491431766.db2.gz SDFKAJMMKRZXRK-GOSISDBHSA-N 2 1 368.566 0.858 20 0 FCADMP CN(C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1CC1 ZINC000558458578 491431769 /nfs/dbraw/zinc/43/17/69/491431769.db2.gz SDFKAJMMKRZXRK-GOSISDBHSA-N 2 1 368.566 0.858 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000573590432 491442513 /nfs/dbraw/zinc/44/25/13/491442513.db2.gz PZDDHZFKJUHXAB-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000573590432 491442515 /nfs/dbraw/zinc/44/25/15/491442515.db2.gz PZDDHZFKJUHXAB-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000573590432 491442517 /nfs/dbraw/zinc/44/25/17/491442517.db2.gz PZDDHZFKJUHXAB-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000573590432 491442519 /nfs/dbraw/zinc/44/25/19/491442519.db2.gz PZDDHZFKJUHXAB-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000573590434 491443066 /nfs/dbraw/zinc/44/30/66/491443066.db2.gz PZDDHZFKJUHXAB-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000573590434 491443067 /nfs/dbraw/zinc/44/30/67/491443067.db2.gz PZDDHZFKJUHXAB-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000573590434 491443069 /nfs/dbraw/zinc/44/30/69/491443069.db2.gz PZDDHZFKJUHXAB-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000573590434 491443072 /nfs/dbraw/zinc/44/30/72/491443072.db2.gz PZDDHZFKJUHXAB-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566491671 491447901 /nfs/dbraw/zinc/44/79/01/491447901.db2.gz WBZYRZBAQAJDTQ-RTBURBONSA-N 3 1 371.529 0.962 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566491671 491447904 /nfs/dbraw/zinc/44/79/04/491447904.db2.gz WBZYRZBAQAJDTQ-RTBURBONSA-N 3 1 371.529 0.962 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684654 491448231 /nfs/dbraw/zinc/44/82/31/491448231.db2.gz NCYPZQUKXUCZJP-UKRRQHHQSA-N 2 1 360.458 0.800 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684654 491448232 /nfs/dbraw/zinc/44/82/32/491448232.db2.gz NCYPZQUKXUCZJP-UKRRQHHQSA-N 2 1 360.458 0.800 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C3(C)C[NH2+]C3)c2)CC1 ZINC000573850354 491458950 /nfs/dbraw/zinc/45/89/50/491458950.db2.gz ILXFWDVIDFUGDH-UHFFFAOYSA-N 2 1 366.487 0.561 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C3(C)C[NH2+]C3)c2)CC1 ZINC000573850354 491458953 /nfs/dbraw/zinc/45/89/53/491458953.db2.gz ILXFWDVIDFUGDH-UHFFFAOYSA-N 2 1 366.487 0.561 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cn3ccccc3n2)C1 ZINC000573929536 491463485 /nfs/dbraw/zinc/46/34/85/491463485.db2.gz FCIWDZLOOATGQG-INIZCTEOSA-N 2 1 373.457 0.424 20 0 FCADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCc2cn3ccccc3n2)C1 ZINC000573929536 491463487 /nfs/dbraw/zinc/46/34/87/491463487.db2.gz FCIWDZLOOATGQG-INIZCTEOSA-N 2 1 373.457 0.424 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000573960057 491465436 /nfs/dbraw/zinc/46/54/36/491465436.db2.gz ZOXCLBIWMQWEAS-BZUAXINKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000573960057 491465438 /nfs/dbraw/zinc/46/54/38/491465438.db2.gz ZOXCLBIWMQWEAS-BZUAXINKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000573960057 491465440 /nfs/dbraw/zinc/46/54/40/491465440.db2.gz ZOXCLBIWMQWEAS-BZUAXINKSA-N 2 1 350.507 0.822 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCCC1 ZINC000559359455 491466955 /nfs/dbraw/zinc/46/69/55/491466955.db2.gz RRABSDKHXIRDKL-UHFFFAOYSA-N 2 1 354.495 0.206 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000574205923 491481141 /nfs/dbraw/zinc/48/11/41/491481141.db2.gz PXHFBAZJWYQPBR-CQSZACIVSA-N 2 1 366.487 0.594 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000559563999 491481768 /nfs/dbraw/zinc/48/17/68/491481768.db2.gz APQVSDDCYPMMMH-INIZCTEOSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389129 493345605 /nfs/dbraw/zinc/34/56/05/493345605.db2.gz ROWSXJCYYZEXCF-HOTGVXAUSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668389129 493345607 /nfs/dbraw/zinc/34/56/07/493345607.db2.gz ROWSXJCYYZEXCF-HOTGVXAUSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668389129 493345611 /nfs/dbraw/zinc/34/56/11/493345611.db2.gz ROWSXJCYYZEXCF-HOTGVXAUSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000567098971 491485804 /nfs/dbraw/zinc/48/58/04/491485804.db2.gz JBYFKLYYUSHHHY-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000567098971 491485805 /nfs/dbraw/zinc/48/58/05/491485805.db2.gz JBYFKLYYUSHHHY-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000567098971 491485806 /nfs/dbraw/zinc/48/58/06/491485806.db2.gz JBYFKLYYUSHHHY-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000567098971 491485807 /nfs/dbraw/zinc/48/58/07/491485807.db2.gz JBYFKLYYUSHHHY-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000559668020 491490584 /nfs/dbraw/zinc/49/05/84/491490584.db2.gz DZSWVBMLOCFATK-MRXNPFEDSA-N 2 1 374.485 0.596 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000567201685 491491530 /nfs/dbraw/zinc/49/15/30/491491530.db2.gz HQNQYYNCDZLFCI-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000567201685 491491533 /nfs/dbraw/zinc/49/15/33/491491533.db2.gz HQNQYYNCDZLFCI-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000567201685 491491536 /nfs/dbraw/zinc/49/15/36/491491536.db2.gz HQNQYYNCDZLFCI-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390207 493346272 /nfs/dbraw/zinc/34/62/72/493346272.db2.gz NRWPPIXIEHOIDV-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000668390207 493346275 /nfs/dbraw/zinc/34/62/75/493346275.db2.gz NRWPPIXIEHOIDV-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000668390207 493346277 /nfs/dbraw/zinc/34/62/77/493346277.db2.gz NRWPPIXIEHOIDV-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307483 491498752 /nfs/dbraw/zinc/49/87/52/491498752.db2.gz IIMCFQOFMLHKJM-RBUKOAKNSA-N 2 1 361.486 0.574 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307483 491498755 /nfs/dbraw/zinc/49/87/55/491498755.db2.gz IIMCFQOFMLHKJM-RBUKOAKNSA-N 2 1 361.486 0.574 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574511045 491501618 /nfs/dbraw/zinc/50/16/18/491501618.db2.gz RSTBQFYOYQKMLN-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868012 491506722 /nfs/dbraw/zinc/50/67/22/491506722.db2.gz WZKJZBFNHIEXDI-HACGYAERSA-N 2 1 354.520 0.139 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559904188 491508995 /nfs/dbraw/zinc/50/89/95/491508995.db2.gz NABANBQRKBIASK-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CCO[C@H](C)c1noc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000574695141 491514155 /nfs/dbraw/zinc/51/41/55/491514155.db2.gz YRCNURWMGQXMMS-OAHLLOKOSA-N 2 1 352.483 0.190 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560024464 491516088 /nfs/dbraw/zinc/51/60/88/491516088.db2.gz LNUIIMQGYITMHB-SJORKVTESA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583032 493348445 /nfs/dbraw/zinc/34/84/45/493348445.db2.gz KMOIVCGKNIUJDM-DLBZAZTESA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754805 491527427 /nfs/dbraw/zinc/52/74/27/491527427.db2.gz SHKWRLLVQKURMR-ZWKOTPCHSA-N 2 1 360.502 0.861 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCNC(=O)NC(C)C)CC2)CC1 ZINC000567759751 491527797 /nfs/dbraw/zinc/52/77/97/491527797.db2.gz BPDAGQMILLOODJ-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567815064 491531533 /nfs/dbraw/zinc/53/15/33/491531533.db2.gz VFAMNSGTDOGQAX-BZNIZROVSA-N 2 1 356.829 0.663 20 0 FCADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCOCC[NH3+])C2)cc1 ZINC000567897458 491539472 /nfs/dbraw/zinc/53/94/72/491539472.db2.gz PBDFZYLBCFANDD-MRXNPFEDSA-N 2 1 355.504 0.961 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000567901884 491539841 /nfs/dbraw/zinc/53/98/41/491539841.db2.gz VEFIAGRPGFSVHS-IAGOWNOFSA-N 2 1 366.506 0.206 20 0 FCADMP C[NH+]1CCC(CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000560512179 491543628 /nfs/dbraw/zinc/54/36/28/491543628.db2.gz WBQLBWJJDOVBAH-UHFFFAOYSA-N 2 1 368.522 0.899 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(O)(C[NH3+])CC2)CC1 ZINC000567987224 491545106 /nfs/dbraw/zinc/54/51/06/491545106.db2.gz VTJLLYBVEDELRZ-UHFFFAOYSA-N 2 1 374.529 0.815 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000567987224 491545108 /nfs/dbraw/zinc/54/51/08/491545108.db2.gz VTJLLYBVEDELRZ-UHFFFAOYSA-N 3 1 374.529 0.815 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000567987224 491545111 /nfs/dbraw/zinc/54/51/11/491545111.db2.gz VTJLLYBVEDELRZ-UHFFFAOYSA-N 3 1 374.529 0.815 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567990234 491545687 /nfs/dbraw/zinc/54/56/87/491545687.db2.gz JWUMWVLWPWJPOU-MRXNPFEDSA-N 3 1 352.523 0.663 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567990234 491545688 /nfs/dbraw/zinc/54/56/88/491545688.db2.gz JWUMWVLWPWJPOU-MRXNPFEDSA-N 3 1 352.523 0.663 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000560670141 491551839 /nfs/dbraw/zinc/55/18/39/491551839.db2.gz OMKTXZWWUMFEJX-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@]1(O)C[NH+]3CCC1CC3)n2C ZINC000568213160 491559970 /nfs/dbraw/zinc/55/99/70/491559970.db2.gz USNLABANSZXVJE-GOSISDBHSA-N 2 1 358.446 0.221 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+](C)C1 ZINC000568225463 491561148 /nfs/dbraw/zinc/56/11/48/491561148.db2.gz IBNJYCBSYKLQRO-HOTGVXAUSA-N 2 1 369.531 0.767 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1Cc1ccccc1 ZINC000575794340 491561236 /nfs/dbraw/zinc/56/12/36/491561236.db2.gz WYCVQZWGEDEVPQ-QYZOEREBSA-N 2 1 370.497 0.725 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1Cc1ccccc1 ZINC000575794340 491561238 /nfs/dbraw/zinc/56/12/38/491561238.db2.gz WYCVQZWGEDEVPQ-QYZOEREBSA-N 2 1 370.497 0.725 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000575864007 491565880 /nfs/dbraw/zinc/56/58/80/491565880.db2.gz UQSKHSUKMFUBFE-ZNMIVQPWSA-N 2 1 352.504 0.530 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000561012535 491570640 /nfs/dbraw/zinc/57/06/40/491570640.db2.gz IBTKYDNUUDUEMS-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000561012535 491570641 /nfs/dbraw/zinc/57/06/41/491570641.db2.gz IBTKYDNUUDUEMS-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000561012535 491570642 /nfs/dbraw/zinc/57/06/42/491570642.db2.gz IBTKYDNUUDUEMS-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000561012535 491570644 /nfs/dbraw/zinc/57/06/44/491570644.db2.gz IBTKYDNUUDUEMS-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000568373555 491572010 /nfs/dbraw/zinc/57/20/10/491572010.db2.gz FZMVBOXZEJVIJZ-FXUDXRNXSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000568396645 491574406 /nfs/dbraw/zinc/57/44/06/491574406.db2.gz QXQPFIHBLNTOCS-UHFFFAOYSA-N 2 1 362.474 0.243 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3ccccc3n2)C1 ZINC000668422156 493351329 /nfs/dbraw/zinc/35/13/29/493351329.db2.gz RQQDZWSNULVNSQ-HNNXBMFYSA-N 2 1 357.458 0.982 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCNC(=O)C3CC3)CC2)CC1 ZINC000561197437 491582121 /nfs/dbraw/zinc/58/21/21/491582121.db2.gz XYXZDDQFPWWIHY-UHFFFAOYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203898 491582663 /nfs/dbraw/zinc/58/26/63/491582663.db2.gz UQYUGBHSGOXGTC-KRWDZBQOSA-N 2 1 373.501 0.724 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000577045376 491583925 /nfs/dbraw/zinc/58/39/25/491583925.db2.gz JIEONRDYFZDFDV-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000577045376 491583927 /nfs/dbraw/zinc/58/39/27/491583927.db2.gz JIEONRDYFZDFDV-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000577045376 491583930 /nfs/dbraw/zinc/58/39/30/491583930.db2.gz JIEONRDYFZDFDV-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000577045376 491583933 /nfs/dbraw/zinc/58/39/33/491583933.db2.gz JIEONRDYFZDFDV-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000568534836 491584375 /nfs/dbraw/zinc/58/43/75/491584375.db2.gz FKGSOHFPCHWHDM-SZMVWBNQSA-N 2 1 358.486 0.976 20 0 FCADMP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C(C)C ZINC000568567340 491587759 /nfs/dbraw/zinc/58/77/59/491587759.db2.gz UPEFUTKFKGGZCG-SFHVURJKSA-N 2 1 369.506 0.877 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425254 491590034 /nfs/dbraw/zinc/59/00/34/491590034.db2.gz ONERPFWIXPHBLW-HOTGVXAUSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000584460156 491593403 /nfs/dbraw/zinc/59/34/03/491593403.db2.gz HYYXZBSXSMFRDE-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561285512 491594478 /nfs/dbraw/zinc/59/44/78/491594478.db2.gz XXGSHYOXGWWDPC-RDJZCZTQSA-N 2 1 359.474 0.380 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[C@H](C)C[NH2+]1 ZINC000584524515 491600064 /nfs/dbraw/zinc/60/00/64/491600064.db2.gz JFWGSMXFLJKPBG-ZAWLATJESA-N 2 1 370.497 0.928 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000584530811 491601606 /nfs/dbraw/zinc/60/16/06/491601606.db2.gz ISTRXUQLPROTRT-BRWVUGGUSA-N 2 1 366.506 0.333 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000584530813 491601633 /nfs/dbraw/zinc/60/16/33/491601633.db2.gz ISTRXUQLPROTRT-ZACQAIPSSA-N 2 1 366.506 0.333 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000568766663 491607892 /nfs/dbraw/zinc/60/78/92/491607892.db2.gz DPJVDDYGEQGLOA-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000568802305 491610832 /nfs/dbraw/zinc/61/08/32/491610832.db2.gz LODBNMMAIKMHIM-HUUCEWRRSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576396287 491611368 /nfs/dbraw/zinc/61/13/68/491611368.db2.gz DEWMYLKZVSTAEF-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576396287 491611371 /nfs/dbraw/zinc/61/13/71/491611371.db2.gz DEWMYLKZVSTAEF-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000561551400 491616409 /nfs/dbraw/zinc/61/64/09/491616409.db2.gz KNXRRACXJKBGQM-MRXNPFEDSA-N 2 1 351.495 0.989 20 0 FCADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000561551400 491616413 /nfs/dbraw/zinc/61/64/13/491616413.db2.gz KNXRRACXJKBGQM-MRXNPFEDSA-N 2 1 351.495 0.989 20 0 FCADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000561551400 491616416 /nfs/dbraw/zinc/61/64/16/491616416.db2.gz KNXRRACXJKBGQM-MRXNPFEDSA-N 2 1 351.495 0.989 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@H]2C1 ZINC000577421715 491621221 /nfs/dbraw/zinc/62/12/21/491621221.db2.gz JEVWRVUOWZEBKQ-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553954 491624384 /nfs/dbraw/zinc/62/43/84/491624384.db2.gz LMIJOBSPNWPNKR-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576553954 491624386 /nfs/dbraw/zinc/62/43/86/491624386.db2.gz LMIJOBSPNWPNKR-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569002304 491626633 /nfs/dbraw/zinc/62/66/33/491626633.db2.gz ASJHJHOKMIZYGD-YHUYYLMFSA-N 2 1 368.522 0.576 20 0 FCADMP Cc1cc(N2CCC(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000576633957 491631731 /nfs/dbraw/zinc/63/17/31/491631731.db2.gz SJACYIYMDLAGPY-INIZCTEOSA-N 2 1 374.489 0.437 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576687489 491636055 /nfs/dbraw/zinc/63/60/55/491636055.db2.gz HFPDFLIITRCHQI-SZMVWBNQSA-N 2 1 362.474 0.645 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576687489 491636056 /nfs/dbraw/zinc/63/60/56/491636056.db2.gz HFPDFLIITRCHQI-SZMVWBNQSA-N 2 1 362.474 0.645 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CCO[C@@H]3C)CC2)CC1 ZINC000576715795 491638705 /nfs/dbraw/zinc/63/87/05/491638705.db2.gz OQPKEMURSIVDFM-DNVCBOLYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CCO[C@H]3C)CC2)CC1 ZINC000576715834 491638745 /nfs/dbraw/zinc/63/87/45/491638745.db2.gz OQPKEMURSIVDFM-KXBFYZLASA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(CCO)CCOC3)CC2)CC1 ZINC000576836212 491649124 /nfs/dbraw/zinc/64/91/24/491649124.db2.gz GBNMLQLTZFRWIR-LJQANCHMSA-N 2 1 353.507 0.840 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576959182 491660602 /nfs/dbraw/zinc/66/06/02/491660602.db2.gz XWVBKCCKCLQDIA-PMPSAXMXSA-N 2 1 351.495 0.594 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1 ZINC000576965811 491660788 /nfs/dbraw/zinc/66/07/88/491660788.db2.gz YOXJVAVDJHYYDZ-ZSGPHXLJSA-N 2 1 360.458 0.795 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1 ZINC000576965811 491660791 /nfs/dbraw/zinc/66/07/91/491660791.db2.gz YOXJVAVDJHYYDZ-ZSGPHXLJSA-N 2 1 360.458 0.795 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000576966442 491660951 /nfs/dbraw/zinc/66/09/51/491660951.db2.gz BWSPPWIKKSUQPZ-NXHRZFHOSA-N 2 1 374.485 0.212 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000576966442 491660954 /nfs/dbraw/zinc/66/09/54/491660954.db2.gz BWSPPWIKKSUQPZ-NXHRZFHOSA-N 2 1 374.485 0.212 20 0 FCADMP CCn1ccnc1C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569459023 491663309 /nfs/dbraw/zinc/66/33/09/491663309.db2.gz RFKDAYCSVWVFRK-QGZVFWFLSA-N 3 1 374.533 0.669 20 0 FCADMP CCn1ccnc1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569459023 491663311 /nfs/dbraw/zinc/66/33/11/491663311.db2.gz RFKDAYCSVWVFRK-QGZVFWFLSA-N 3 1 374.533 0.669 20 0 FCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000577935150 491663702 /nfs/dbraw/zinc/66/37/02/491663702.db2.gz MGLGODLWLKMKTG-GOEBONIOSA-N 2 1 360.458 0.858 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C1CC1 ZINC000578152460 491671088 /nfs/dbraw/zinc/67/10/88/491671088.db2.gz WOPZRNCEWUERGN-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000578152460 491671089 /nfs/dbraw/zinc/67/10/89/491671089.db2.gz WOPZRNCEWUERGN-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000578152460 491671090 /nfs/dbraw/zinc/67/10/90/491671090.db2.gz WOPZRNCEWUERGN-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000578340913 491675134 /nfs/dbraw/zinc/67/51/34/491675134.db2.gz NBQHIVNKHYYAEG-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000578340913 491675135 /nfs/dbraw/zinc/67/51/35/491675135.db2.gz NBQHIVNKHYYAEG-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000578401913 491676607 /nfs/dbraw/zinc/67/66/07/491676607.db2.gz FVBOCHDHQRGMEG-HNNXBMFYSA-N 2 1 356.511 0.260 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000578497673 491678301 /nfs/dbraw/zinc/67/83/01/491678301.db2.gz UDRFUPNGAODJLF-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000578645096 491681654 /nfs/dbraw/zinc/68/16/54/491681654.db2.gz XOJVTNHPZIVZHD-LJQANCHMSA-N 2 1 359.518 0.850 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000579045309 491689869 /nfs/dbraw/zinc/68/98/69/491689869.db2.gz NSPHYYSHKCSTPN-CQSZACIVSA-N 2 1 373.461 0.267 20 0 FCADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579099284 491690769 /nfs/dbraw/zinc/69/07/69/491690769.db2.gz PNYMABHOHFTBLR-FUHWJXTLSA-N 2 1 373.501 0.855 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147907 491692025 /nfs/dbraw/zinc/69/20/25/491692025.db2.gz WZWVIIQZNCHMMK-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000579225617 491693370 /nfs/dbraw/zinc/69/33/70/491693370.db2.gz WAGOAGZPMVTNHC-RTBURBONSA-N 2 1 370.497 0.931 20 0 FCADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359986 491696367 /nfs/dbraw/zinc/69/63/67/491696367.db2.gz YYNQVNMJMIPGBH-MSOLQXFVSA-N 2 1 372.517 0.979 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@@H+]1CCOC ZINC000579365700 491696538 /nfs/dbraw/zinc/69/65/38/491696538.db2.gz NTBZURQPRAJSPT-KRWDZBQOSA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC[N@H+]1CCOC ZINC000579365700 491696539 /nfs/dbraw/zinc/69/65/39/491696539.db2.gz NTBZURQPRAJSPT-KRWDZBQOSA-N 2 1 368.522 0.533 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000579593615 491701187 /nfs/dbraw/zinc/70/11/87/491701187.db2.gz WTUKKQGCVDTWJM-CQSZACIVSA-N 2 1 366.487 0.594 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579693066 491702970 /nfs/dbraw/zinc/70/29/70/491702970.db2.gz XEYVVOCSXGIOSF-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579693066 491702971 /nfs/dbraw/zinc/70/29/71/491702971.db2.gz XEYVVOCSXGIOSF-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930076 491709391 /nfs/dbraw/zinc/70/93/91/491709391.db2.gz QESNOVPJNGBRCZ-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579930076 491709392 /nfs/dbraw/zinc/70/93/92/491709392.db2.gz QESNOVPJNGBRCZ-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579930076 491709394 /nfs/dbraw/zinc/70/93/94/491709394.db2.gz QESNOVPJNGBRCZ-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)NCCF)CC2)CC1 ZINC000579972006 491711914 /nfs/dbraw/zinc/71/19/14/491711914.db2.gz LDCPJJFXPVQIQF-AWEZNQCLSA-N 2 1 356.486 0.773 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584770572 491713539 /nfs/dbraw/zinc/71/35/39/491713539.db2.gz VFWKOPXNVHMCGM-IRXDYDNUSA-N 2 1 353.511 0.224 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580118246 491718419 /nfs/dbraw/zinc/71/84/19/491718419.db2.gz AFTQYEBZSVPQID-HYVNUMGLSA-N 2 1 366.506 0.033 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580484586 491733315 /nfs/dbraw/zinc/73/33/15/491733315.db2.gz SYQDUYLIHUNFKQ-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587100107 491734804 /nfs/dbraw/zinc/73/48/04/491734804.db2.gz OUUYWZDMRJSAAG-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000587100107 491734805 /nfs/dbraw/zinc/73/48/05/491734805.db2.gz OUUYWZDMRJSAAG-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587100107 491734806 /nfs/dbraw/zinc/73/48/06/491734806.db2.gz OUUYWZDMRJSAAG-BBWFWOEESA-N 2 1 365.522 0.855 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580639658 491739687 /nfs/dbraw/zinc/73/96/87/491739687.db2.gz QBLLEWNVCBGDHW-NRFANRHFSA-N 2 1 370.497 0.933 20 0 FCADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000588294725 491743711 /nfs/dbraw/zinc/74/37/11/491743711.db2.gz IJIMBXDMBCXGRW-MRXNPFEDSA-N 2 1 355.527 0.959 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000588294725 491743714 /nfs/dbraw/zinc/74/37/14/491743714.db2.gz IJIMBXDMBCXGRW-MRXNPFEDSA-N 2 1 355.527 0.959 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000588294725 491743715 /nfs/dbraw/zinc/74/37/15/491743715.db2.gz IJIMBXDMBCXGRW-MRXNPFEDSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580824230 491747161 /nfs/dbraw/zinc/74/71/61/491747161.db2.gz ZKODBXWRBKYNMR-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580824230 491747163 /nfs/dbraw/zinc/74/71/63/491747163.db2.gz ZKODBXWRBKYNMR-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000581259391 491766179 /nfs/dbraw/zinc/76/61/79/491766179.db2.gz ICMGKLLUWDDOLW-SFHVURJKSA-N 2 1 366.550 0.972 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000581263366 491766474 /nfs/dbraw/zinc/76/64/74/491766474.db2.gz IHWLRCKDKDPWKQ-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581426873 491772492 /nfs/dbraw/zinc/77/24/92/491772492.db2.gz NMUBYMQCLOVGDP-QGZVFWFLSA-N 2 1 354.458 0.818 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581426873 491772493 /nfs/dbraw/zinc/77/24/93/491772493.db2.gz NMUBYMQCLOVGDP-QGZVFWFLSA-N 2 1 354.458 0.818 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000581502683 491775706 /nfs/dbraw/zinc/77/57/06/491775706.db2.gz AQSYZDXTMYDJSJ-OAHLLOKOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581683129 491782706 /nfs/dbraw/zinc/78/27/06/491782706.db2.gz CAMSZEUMZSQISR-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000582230922 491803137 /nfs/dbraw/zinc/80/31/37/491803137.db2.gz PJCHPXNEVWJDQZ-AEFFLSMTSA-N 2 1 361.490 0.485 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4OCC[NH2+][C@H]4C3)CC2)c1 ZINC000582246151 491804103 /nfs/dbraw/zinc/80/41/03/491804103.db2.gz NUNIPUZMPAGUJS-VQTJNVASSA-N 2 1 372.513 0.702 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000582295376 491806149 /nfs/dbraw/zinc/80/61/49/491806149.db2.gz DUWHLHYWNVGDFD-JKSUJKDBSA-N 2 1 372.469 0.828 20 0 FCADMP Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)CCC2 ZINC000582383254 491810320 /nfs/dbraw/zinc/81/03/20/491810320.db2.gz SSVVLVTUFUGWAF-CVEARBPZSA-N 2 1 361.490 0.984 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC000582549127 491817371 /nfs/dbraw/zinc/81/73/71/491817371.db2.gz MCZWSTQNHQOGEN-OAHLLOKOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000582716588 491823519 /nfs/dbraw/zinc/82/35/19/491823519.db2.gz UVYATNFBBSFEFE-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000582716588 491823520 /nfs/dbraw/zinc/82/35/20/491823520.db2.gz UVYATNFBBSFEFE-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914919 491832318 /nfs/dbraw/zinc/83/23/18/491832318.db2.gz HNJWKQCLUHEDLR-KZNAEPCWSA-N 2 1 371.485 0.604 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932886 491832998 /nfs/dbraw/zinc/83/29/98/491832998.db2.gz WOZXQXLZACXNKB-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000583045811 491836911 /nfs/dbraw/zinc/83/69/11/491836911.db2.gz URRWPBRBRVXAHI-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000583810660 491852541 /nfs/dbraw/zinc/85/25/41/491852541.db2.gz ANWXAHCIJDQSKZ-INIZCTEOSA-N 2 1 357.462 0.940 20 0 FCADMP CO[C@@H](C[NH3+])C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000584050010 491857289 /nfs/dbraw/zinc/85/72/89/491857289.db2.gz FCOLZFDMTNBIED-SFHVURJKSA-N 2 1 365.474 0.766 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000611650964 491865676 /nfs/dbraw/zinc/86/56/76/491865676.db2.gz SPCOWVPRNOJRLM-LZQZEXGQSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000611650964 491865678 /nfs/dbraw/zinc/86/56/78/491865678.db2.gz SPCOWVPRNOJRLM-LZQZEXGQSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000611650964 491865680 /nfs/dbraw/zinc/86/56/80/491865680.db2.gz SPCOWVPRNOJRLM-LZQZEXGQSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000611650964 491865682 /nfs/dbraw/zinc/86/56/82/491865682.db2.gz SPCOWVPRNOJRLM-LZQZEXGQSA-N 2 1 370.497 0.976 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000594871815 491868904 /nfs/dbraw/zinc/86/89/04/491868904.db2.gz GAEORKMDILNVQT-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000594871815 491868907 /nfs/dbraw/zinc/86/89/07/491868907.db2.gz GAEORKMDILNVQT-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000594871815 491868909 /nfs/dbraw/zinc/86/89/09/491868909.db2.gz GAEORKMDILNVQT-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000611954463 491884856 /nfs/dbraw/zinc/88/48/56/491884856.db2.gz BSBKEDZJOGUVAO-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000595273706 491910195 /nfs/dbraw/zinc/91/01/95/491910195.db2.gz LPLBNAXXFRFOPI-SJORKVTESA-N 2 1 365.522 0.985 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000612487557 491924960 /nfs/dbraw/zinc/92/49/60/491924960.db2.gz YEMFZCFYGXTGCQ-HNNXBMFYSA-N 2 1 356.536 0.388 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541325 491930866 /nfs/dbraw/zinc/93/08/66/491930866.db2.gz DCXAVURQNPWJPK-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541325 491930868 /nfs/dbraw/zinc/93/08/68/491930868.db2.gz DCXAVURQNPWJPK-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000612541325 491930870 /nfs/dbraw/zinc/93/08/70/491930870.db2.gz DCXAVURQNPWJPK-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000612541325 491930872 /nfs/dbraw/zinc/93/08/72/491930872.db2.gz DCXAVURQNPWJPK-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546877 491932608 /nfs/dbraw/zinc/93/26/08/491932608.db2.gz WUSSXBXNQHRLNQ-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000612591253 491935657 /nfs/dbraw/zinc/93/56/57/491935657.db2.gz INCMNVNNYUNNBY-SJORKVTESA-N 2 1 366.506 0.299 20 0 FCADMP CCOC(=O)c1nc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cs1 ZINC000603201453 492019062 /nfs/dbraw/zinc/01/90/62/492019062.db2.gz NYFRLKRBICRTGW-UHFFFAOYSA-N 2 1 364.475 0.925 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000597216210 492022606 /nfs/dbraw/zinc/02/26/06/492022606.db2.gz YCKWBKYTNGSWCA-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000597216213 492022779 /nfs/dbraw/zinc/02/27/79/492022779.db2.gz YCKWBKYTNGSWCA-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC000614861994 492061203 /nfs/dbraw/zinc/06/12/03/492061203.db2.gz YRSQIOXTRTXYMK-HNNXBMFYSA-N 2 1 372.469 0.625 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000614861994 492061205 /nfs/dbraw/zinc/06/12/05/492061205.db2.gz YRSQIOXTRTXYMK-HNNXBMFYSA-N 2 1 372.469 0.625 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000614861994 492061206 /nfs/dbraw/zinc/06/12/06/492061206.db2.gz YRSQIOXTRTXYMK-HNNXBMFYSA-N 2 1 372.469 0.625 20 0 FCADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604632830 492065252 /nfs/dbraw/zinc/06/52/52/492065252.db2.gz FVOWMRXAJPSEOC-QGZVFWFLSA-N 2 1 353.511 0.176 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000604641318 492065777 /nfs/dbraw/zinc/06/57/77/492065777.db2.gz OVNAHFYYLXAHCC-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604641318 492065778 /nfs/dbraw/zinc/06/57/78/492065778.db2.gz OVNAHFYYLXAHCC-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604641318 492065781 /nfs/dbraw/zinc/06/57/81/492065781.db2.gz OVNAHFYYLXAHCC-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646633 492065932 /nfs/dbraw/zinc/06/59/32/492065932.db2.gz CRQPPDOAWMVGOJ-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604646633 492065935 /nfs/dbraw/zinc/06/59/35/492065935.db2.gz CRQPPDOAWMVGOJ-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604646633 492065938 /nfs/dbraw/zinc/06/59/38/492065938.db2.gz CRQPPDOAWMVGOJ-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844186 492104137 /nfs/dbraw/zinc/10/41/37/492104137.db2.gz VAZYEPMUTUSBKE-SJORKVTESA-N 2 1 356.511 0.753 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844186 492104138 /nfs/dbraw/zinc/10/41/38/492104138.db2.gz VAZYEPMUTUSBKE-SJORKVTESA-N 2 1 356.511 0.753 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000605884700 492105021 /nfs/dbraw/zinc/10/50/21/492105021.db2.gz UAYCHWUWODHFIN-HOCLYGCPSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000605884700 492105023 /nfs/dbraw/zinc/10/50/23/492105023.db2.gz UAYCHWUWODHFIN-HOCLYGCPSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000605884700 492105025 /nfs/dbraw/zinc/10/50/25/492105025.db2.gz UAYCHWUWODHFIN-HOCLYGCPSA-N 2 1 351.495 0.642 20 0 FCADMP C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCOCC1 ZINC000606681801 492126005 /nfs/dbraw/zinc/12/60/05/492126005.db2.gz TYELFSKUDKZBAD-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000606665753 492126022 /nfs/dbraw/zinc/12/60/22/492126022.db2.gz ODIRAKFDYCPHSE-IRXDYDNUSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000606665753 492126025 /nfs/dbraw/zinc/12/60/25/492126025.db2.gz ODIRAKFDYCPHSE-IRXDYDNUSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000606665753 492126027 /nfs/dbraw/zinc/12/60/27/492126027.db2.gz ODIRAKFDYCPHSE-IRXDYDNUSA-N 2 1 367.538 0.911 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)CC1 ZINC000606844163 492131155 /nfs/dbraw/zinc/13/11/55/492131155.db2.gz KLFRYOAIIFOBHJ-HNNXBMFYSA-N 2 1 358.490 0.975 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000607245698 492142026 /nfs/dbraw/zinc/14/20/26/492142026.db2.gz YTEAFQBCGNRGBN-SJORKVTESA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000617505620 492172791 /nfs/dbraw/zinc/17/27/91/492172791.db2.gz KGJJMSVRAYZEAN-ZDUSSCGKSA-N 2 1 374.507 0.331 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000617505620 492172793 /nfs/dbraw/zinc/17/27/93/492172793.db2.gz KGJJMSVRAYZEAN-ZDUSSCGKSA-N 2 1 374.507 0.331 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000610250140 492238909 /nfs/dbraw/zinc/23/89/09/492238909.db2.gz BKFYHWFHIMRKPQ-IYWMVGAKSA-N 2 1 368.566 0.557 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600092952 492244065 /nfs/dbraw/zinc/24/40/65/492244065.db2.gz UCSRZENUJJOVGL-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600092952 492244066 /nfs/dbraw/zinc/24/40/66/492244066.db2.gz UCSRZENUJJOVGL-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP COCCn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1=O ZINC000619180117 492252619 /nfs/dbraw/zinc/25/26/19/492252619.db2.gz IDESHJQANOUPNI-UHFFFAOYSA-N 2 1 371.441 0.894 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732329 492260336 /nfs/dbraw/zinc/26/03/36/492260336.db2.gz ANDAOSWYDITGMU-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732329 492260339 /nfs/dbraw/zinc/26/03/39/492260339.db2.gz ANDAOSWYDITGMU-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000611374367 492287224 /nfs/dbraw/zinc/28/72/24/492287224.db2.gz VDTPLFFKUASINA-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000611374367 492287225 /nfs/dbraw/zinc/28/72/25/492287225.db2.gz VDTPLFFKUASINA-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552651 492303202 /nfs/dbraw/zinc/30/32/02/492303202.db2.gz OPORLZAZMMLITI-QZTJIDSGSA-N 2 1 358.486 0.822 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552652 492303637 /nfs/dbraw/zinc/30/36/37/492303637.db2.gz OPORLZAZMMLITI-ROUUACIJSA-N 2 1 358.486 0.822 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824229 492310460 /nfs/dbraw/zinc/31/04/60/492310460.db2.gz GQHFZZQOVVJVGH-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824229 492310463 /nfs/dbraw/zinc/31/04/63/492310463.db2.gz GQHFZZQOVVJVGH-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627471941 492310469 /nfs/dbraw/zinc/31/04/69/492310469.db2.gz BYFVAFQGHCSSJP-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825716 492311159 /nfs/dbraw/zinc/31/11/59/492311159.db2.gz WTQBAFAHHQRZMS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825716 492311162 /nfs/dbraw/zinc/31/11/62/492311162.db2.gz WTQBAFAHHQRZMS-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1(C)C ZINC000641825842 492311418 /nfs/dbraw/zinc/31/14/18/492311418.db2.gz XGWJLFFOBAVGPJ-HOTGVXAUSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1(C)C ZINC000641825842 492311419 /nfs/dbraw/zinc/31/14/19/492311419.db2.gz XGWJLFFOBAVGPJ-HOTGVXAUSA-N 2 1 366.506 0.284 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000620475479 492311988 /nfs/dbraw/zinc/31/19/88/492311988.db2.gz PYSYFOQMCQRBMC-QRVBRYPASA-N 2 1 365.518 0.791 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654640103 492328924 /nfs/dbraw/zinc/32/89/24/492328924.db2.gz ZIQRAQFYXLSHBG-ZDUSSCGKSA-N 2 1 353.471 0.291 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000647593228 492330328 /nfs/dbraw/zinc/33/03/28/492330328.db2.gz FWADMQPJFWPWMX-GJZGRUSLSA-N 2 1 354.495 0.380 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195162 492339851 /nfs/dbraw/zinc/33/98/51/492339851.db2.gz BSWLJZKXCISICI-KLHDSHLOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194120 492340286 /nfs/dbraw/zinc/34/02/86/492340286.db2.gz XRJJUTZKGQNQNN-OVWQWFNUSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000642222675 492342820 /nfs/dbraw/zinc/34/28/20/492342820.db2.gz SYXPNAHJAOIUJN-OWCLPIDISA-N 2 1 354.495 0.045 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642253634 492345948 /nfs/dbraw/zinc/34/59/48/492345948.db2.gz CHIUPFVOHPITNH-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654736436 492346039 /nfs/dbraw/zinc/34/60/39/492346039.db2.gz AFBLEAMRBYPNEU-QZTJIDSGSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654736436 492346042 /nfs/dbraw/zinc/34/60/42/492346042.db2.gz AFBLEAMRBYPNEU-QZTJIDSGSA-N 2 1 368.522 0.992 20 0 FCADMP [NH3+]C1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000647727228 492351390 /nfs/dbraw/zinc/35/13/90/492351390.db2.gz UEIYULRIGOHVMV-UYSNPLJNSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000642332340 492352279 /nfs/dbraw/zinc/35/22/79/492352279.db2.gz GGTMVWGBINBUEH-BPQIPLTHSA-N 2 1 373.501 0.039 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642332328 492352290 /nfs/dbraw/zinc/35/22/90/492352290.db2.gz CDQOLGPZGVBVTB-MVJTYMMSSA-N 2 1 374.485 0.513 20 0 FCADMP CC(C)NS(=O)(=O)NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634713281 492362934 /nfs/dbraw/zinc/36/29/34/492362934.db2.gz TVUXUVRDELEKAA-QGZVFWFLSA-N 2 1 370.519 0.045 20 0 FCADMP CC(C)NS(=O)(=O)NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713281 492362939 /nfs/dbraw/zinc/36/29/39/492362939.db2.gz TVUXUVRDELEKAA-QGZVFWFLSA-N 2 1 370.519 0.045 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640655 492368168 /nfs/dbraw/zinc/36/81/68/492368168.db2.gz FFKRFDSRNZYNEO-LEUOFYLZSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647832020 492368363 /nfs/dbraw/zinc/36/83/63/492368363.db2.gz SYLWSELGCQXFCD-IKGGRYGDSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835440 492369134 /nfs/dbraw/zinc/36/91/34/492369134.db2.gz YUPWKIHMNLARDY-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835440 492369137 /nfs/dbraw/zinc/36/91/37/492369137.db2.gz YUPWKIHMNLARDY-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835896 492370410 /nfs/dbraw/zinc/37/04/10/492370410.db2.gz UGDWAKDLYZJPTQ-UHFFFAOYSA-N 2 1 354.882 0.802 20 0 FCADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835896 492370412 /nfs/dbraw/zinc/37/04/12/492370412.db2.gz UGDWAKDLYZJPTQ-UHFFFAOYSA-N 2 1 354.882 0.802 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642680240 492372452 /nfs/dbraw/zinc/37/24/52/492372452.db2.gz KXPGDRSFAINFAE-JQHSSLGASA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693281 492374299 /nfs/dbraw/zinc/37/42/99/492374299.db2.gz FRDRSIHIUOTLHA-LBPRGKRZSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000642693281 492374304 /nfs/dbraw/zinc/37/43/04/492374304.db2.gz FRDRSIHIUOTLHA-LBPRGKRZSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000642693169 492374476 /nfs/dbraw/zinc/37/44/76/492374476.db2.gz ZCPTXEKLAXXFHY-YJBOKZPZSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000642693169 492374478 /nfs/dbraw/zinc/37/44/78/492374478.db2.gz ZCPTXEKLAXXFHY-YJBOKZPZSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000642728593 492381480 /nfs/dbraw/zinc/38/14/80/492381480.db2.gz KEGKALBEWVUSBD-MWDXBVQZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728593 492381482 /nfs/dbraw/zinc/38/14/82/492381482.db2.gz KEGKALBEWVUSBD-MWDXBVQZSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744836 492384351 /nfs/dbraw/zinc/38/43/51/492384351.db2.gz DECUKLBNVAAGMI-DOTOQJQBSA-N 2 1 362.474 0.070 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744836 492384354 /nfs/dbraw/zinc/38/43/54/492384354.db2.gz DECUKLBNVAAGMI-DOTOQJQBSA-N 2 1 362.474 0.070 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756641 492387002 /nfs/dbraw/zinc/38/70/02/492387002.db2.gz CXBSUFKPSIPVBX-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977442 492389878 /nfs/dbraw/zinc/38/98/78/492389878.db2.gz BJWBRCJGYCHMTN-MSOLQXFVSA-N 2 1 362.518 0.779 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647978422 492390668 /nfs/dbraw/zinc/39/06/68/492390668.db2.gz ROOOSUHJWLVWQC-OKZBNKHCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)C(=O)[C@@H]3C)CC2)CC1 ZINC000655009819 492391450 /nfs/dbraw/zinc/39/14/50/492391450.db2.gz ZKJGKHFXYJRUHK-HNNXBMFYSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000627826194 492393323 /nfs/dbraw/zinc/39/33/23/492393323.db2.gz QVKXNLVHTBZPKE-AWEZNQCLSA-N 2 1 350.467 0.231 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000642798907 492395201 /nfs/dbraw/zinc/39/52/01/492395201.db2.gz RUJFFOVZCHZTFV-OQIJWPOYSA-N 2 1 370.497 0.976 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887405 492397670 /nfs/dbraw/zinc/39/76/70/492397670.db2.gz SZJGHUCNVLBFKR-XOYOTBSWSA-N 2 1 374.460 0.822 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902295 492399285 /nfs/dbraw/zinc/39/92/85/492399285.db2.gz OYJYOMUMBGLMNP-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642903206 492400080 /nfs/dbraw/zinc/40/00/80/492400080.db2.gz DZZQUFOEXLDRGF-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642903206 492400082 /nfs/dbraw/zinc/40/00/82/492400082.db2.gz DZZQUFOEXLDRGF-TWMKSMIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921476 492404980 /nfs/dbraw/zinc/40/49/80/492404980.db2.gz VMETVEWVCFQXRU-ROUUACIJSA-N 2 1 373.501 0.041 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642974864 492409149 /nfs/dbraw/zinc/40/91/49/492409149.db2.gz CPFHLPBQTSOXHZ-MRXNPFEDSA-N 2 1 367.538 0.247 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642974864 492409153 /nfs/dbraw/zinc/40/91/53/492409153.db2.gz CPFHLPBQTSOXHZ-MRXNPFEDSA-N 2 1 367.538 0.247 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000642989653 492411825 /nfs/dbraw/zinc/41/18/25/492411825.db2.gz BSHQYPJRDHXADV-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000642993873 492412509 /nfs/dbraw/zinc/41/25/09/492412509.db2.gz IDVIJKIMPAIWKO-UHFFFAOYSA-N 2 1 368.428 0.740 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000642993873 492412515 /nfs/dbraw/zinc/41/25/15/492412515.db2.gz IDVIJKIMPAIWKO-UHFFFAOYSA-N 2 1 368.428 0.740 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000621837671 492421314 /nfs/dbraw/zinc/42/13/14/492421314.db2.gz NNVVIYPPYLXBLY-VCBZYWHSSA-N 2 1 360.458 0.873 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621837876 492421660 /nfs/dbraw/zinc/42/16/60/492421660.db2.gz SLMVUBPBQXLZRN-QKLQHJQFSA-N 2 1 356.470 0.717 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000621839504 492422475 /nfs/dbraw/zinc/42/24/75/492422475.db2.gz UHTUNBNNRMMVBM-OXFYSEKESA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621840173 492423242 /nfs/dbraw/zinc/42/32/42/492423242.db2.gz FCSCUBOFOKWRHS-PXNSSMCTSA-N 2 1 356.470 0.501 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621840173 492423246 /nfs/dbraw/zinc/42/32/46/492423246.db2.gz FCSCUBOFOKWRHS-PXNSSMCTSA-N 2 1 356.470 0.501 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843810 492424470 /nfs/dbraw/zinc/42/44/70/492424470.db2.gz LXTSJZMVMWMXCM-OLMMMNRUSA-N 2 1 350.507 0.810 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233539 492433765 /nfs/dbraw/zinc/43/37/65/492433765.db2.gz VZICBUDFCZGAJN-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000643250836 492434157 /nfs/dbraw/zinc/43/41/57/492434157.db2.gz PHXQHIIQRXUCBF-GOSISDBHSA-N 2 1 372.469 0.987 20 0 FCADMP CCN1C(=O)[C@H]2CN(Cc3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000643250836 492434162 /nfs/dbraw/zinc/43/41/62/492434162.db2.gz PHXQHIIQRXUCBF-GOSISDBHSA-N 2 1 372.469 0.987 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)CC2)c1 ZINC000622026044 492442117 /nfs/dbraw/zinc/44/21/17/492442117.db2.gz CFJQRGVWSJSUGY-BEFAXECRSA-N 2 1 357.458 0.378 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655444246 492443271 /nfs/dbraw/zinc/44/32/71/492443271.db2.gz QUAUSNABROVHRL-VQIMIIECSA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655444246 492443274 /nfs/dbraw/zinc/44/32/74/492443274.db2.gz QUAUSNABROVHRL-VQIMIIECSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028513 492443451 /nfs/dbraw/zinc/44/34/51/492443451.db2.gz RHKKFJUWRCPXHN-DOXZYTNZSA-N 2 1 364.490 0.038 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622031800 492446209 /nfs/dbraw/zinc/44/62/09/492446209.db2.gz UGVFZJBQSXEAAV-KXBFYZLASA-N 2 1 362.474 0.900 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000655556563 492456281 /nfs/dbraw/zinc/45/62/81/492456281.db2.gz UFEZBVYMBDRHHT-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000628103781 492464091 /nfs/dbraw/zinc/46/40/91/492464091.db2.gz SPJIIOBPGXBIQD-SFHVURJKSA-N 2 1 374.485 0.446 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643480983 492476792 /nfs/dbraw/zinc/47/67/92/492476792.db2.gz MGKHJPOUPIZAEB-OALUTQOASA-N 2 1 370.497 0.931 20 0 FCADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(N2CCOCC2)CCOCC1 ZINC000655774787 492479279 /nfs/dbraw/zinc/47/92/79/492479279.db2.gz GVBZWGXIOLBROC-GOSISDBHSA-N 2 1 353.507 0.711 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643489790 492479715 /nfs/dbraw/zinc/47/97/15/492479715.db2.gz PZBGORSOLYJHJZ-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000643492468 492480376 /nfs/dbraw/zinc/48/03/76/492480376.db2.gz ZRVSQHBFZRCSOG-HRCADAONSA-N 2 1 357.458 0.234 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000643500566 492482265 /nfs/dbraw/zinc/48/22/65/492482265.db2.gz CDVDLVBYGGHLJP-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000643498032 492482525 /nfs/dbraw/zinc/48/25/25/492482525.db2.gz KRYDEUSYWALQTP-OWCLPIDISA-N 2 1 366.506 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000643498032 492482528 /nfs/dbraw/zinc/48/25/28/492482528.db2.gz KRYDEUSYWALQTP-OWCLPIDISA-N 2 1 366.506 0.426 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499504 492482890 /nfs/dbraw/zinc/48/28/90/492482890.db2.gz NOJCGXKMAHFSSO-XWTMOSNGSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000643503476 492483544 /nfs/dbraw/zinc/48/35/44/492483544.db2.gz DKHLBUWGRXATCV-CVEARBPZSA-N 2 1 350.507 0.907 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643513177 492486420 /nfs/dbraw/zinc/48/64/20/492486420.db2.gz BKNXSSIPOMZBMA-BEFAXECRSA-N 2 1 359.474 0.821 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643513266 492486717 /nfs/dbraw/zinc/48/67/17/492486717.db2.gz LSTZISRHKXZLMR-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643531719 492490598 /nfs/dbraw/zinc/49/05/98/492490598.db2.gz ARWBCGPVYHTOTA-KBAYOESNSA-N 2 1 358.486 0.915 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655936621 492491763 /nfs/dbraw/zinc/49/17/63/492491763.db2.gz IMXDBPXQOCAGTR-NSHDSACASA-N 2 1 361.368 0.705 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643531923 492492138 /nfs/dbraw/zinc/49/21/38/492492138.db2.gz WYUWGYRYSXGOBH-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000643541528 492495031 /nfs/dbraw/zinc/49/50/31/492495031.db2.gz RPUYGGLQLSCEAW-NRSFXHEJSA-N 2 1 356.470 0.382 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000643541529 492495583 /nfs/dbraw/zinc/49/55/83/492495583.db2.gz RPUYGGLQLSCEAW-OWLYRPNTSA-N 2 1 356.470 0.382 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549860 492497536 /nfs/dbraw/zinc/49/75/36/492497536.db2.gz WRWRUWNUNHJHQV-ONIAQPFYSA-N 2 1 360.502 0.672 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000655973383 492499682 /nfs/dbraw/zinc/49/96/82/492499682.db2.gz FQZALKKMVMRDGA-BRWVUGGUSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000655973383 492499692 /nfs/dbraw/zinc/49/96/92/492499692.db2.gz FQZALKKMVMRDGA-BRWVUGGUSA-N 2 1 363.506 0.609 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643590317 492501423 /nfs/dbraw/zinc/50/14/23/492501423.db2.gz OHWVFFNSHNVNBH-DOTOQJQBSA-N 2 1 362.474 0.770 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000643619530 492507169 /nfs/dbraw/zinc/50/71/69/492507169.db2.gz ZLBRITBHRCOXGX-HNNXBMFYSA-N 2 1 362.478 0.577 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000643619531 492507219 /nfs/dbraw/zinc/50/72/19/492507219.db2.gz ZLBRITBHRCOXGX-OAHLLOKOSA-N 2 1 362.478 0.577 20 0 FCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656028579 492521243 /nfs/dbraw/zinc/52/12/43/492521243.db2.gz MPFQHMLVHYXOFO-SJORKVTESA-N 2 1 366.506 0.476 20 0 FCADMP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](CCc2cccs2)CC1 ZINC000649296482 492525070 /nfs/dbraw/zinc/52/50/70/492525070.db2.gz IVVDDIDWYLOVMJ-AWEZNQCLSA-N 2 1 360.487 0.875 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354741 492547469 /nfs/dbraw/zinc/54/74/69/492547469.db2.gz IOUZZWZIPNHPFN-DOTOQJQBSA-N 2 1 371.485 0.999 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000649365658 492548249 /nfs/dbraw/zinc/54/82/49/492548249.db2.gz IIZWZKYILXKMLE-WCXIOVBPSA-N 2 1 350.507 0.953 20 0 FCADMP OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000649413634 492552880 /nfs/dbraw/zinc/55/28/80/492552880.db2.gz VKVXWZASYGPQTR-GOSISDBHSA-N 2 1 352.910 0.896 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000636155871 492557395 /nfs/dbraw/zinc/55/73/95/492557395.db2.gz CWVRIKNRSFCIFU-ZWKOTPCHSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656150500 492557588 /nfs/dbraw/zinc/55/75/88/492557588.db2.gz VYATUOBEXIBVCH-BZUAXINKSA-N 2 1 351.495 0.765 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCSC1 ZINC000656299372 492576984 /nfs/dbraw/zinc/57/69/84/492576984.db2.gz RGVHJKHMBUNZJP-VKJFTORMSA-N 2 1 368.547 0.673 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623636680 492577457 /nfs/dbraw/zinc/57/74/57/492577457.db2.gz ZINICLOVPNZMDJ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623636680 492577462 /nfs/dbraw/zinc/57/74/62/492577462.db2.gz ZINICLOVPNZMDJ-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656300834 492577454 /nfs/dbraw/zinc/57/74/54/492577454.db2.gz DLUIRNBYJKAETE-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623725399 492586642 /nfs/dbraw/zinc/58/66/42/492586642.db2.gz YAWAQFNMSWKMGT-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623725399 492586646 /nfs/dbraw/zinc/58/66/46/492586646.db2.gz YAWAQFNMSWKMGT-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636487747 492599135 /nfs/dbraw/zinc/59/91/35/492599135.db2.gz XOTWCXBFDPAWGD-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636487747 492599138 /nfs/dbraw/zinc/59/91/38/492599138.db2.gz XOTWCXBFDPAWGD-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000636487747 492599141 /nfs/dbraw/zinc/59/91/41/492599141.db2.gz XOTWCXBFDPAWGD-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000656357791 492611505 /nfs/dbraw/zinc/61/15/05/492611505.db2.gz MBWLIIIEFZTQES-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1C ZINC000656357791 492611515 /nfs/dbraw/zinc/61/15/15/492611515.db2.gz MBWLIIIEFZTQES-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1C ZINC000656357791 492611517 /nfs/dbraw/zinc/61/15/17/492611517.db2.gz MBWLIIIEFZTQES-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1C ZINC000656357791 492611520 /nfs/dbraw/zinc/61/15/20/492611520.db2.gz MBWLIIIEFZTQES-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)cn2)CCO1 ZINC000636540511 492615404 /nfs/dbraw/zinc/61/54/04/492615404.db2.gz VVJMODZFOVQLOE-GDBMZVCRSA-N 2 1 363.462 0.173 20 0 FCADMP C[C@@H]1CN(c2ccc(CNC(=O)NCCN3CC[C@@H](O)C3)cn2)CCO1 ZINC000636540511 492615406 /nfs/dbraw/zinc/61/54/06/492615406.db2.gz VVJMODZFOVQLOE-GDBMZVCRSA-N 2 1 363.462 0.173 20 0 FCADMP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629579484 492656734 /nfs/dbraw/zinc/65/67/34/492656734.db2.gz DJYQYDLIFBHMGF-HXUWFJFHSA-N 3 1 374.529 0.930 20 0 FCADMP C[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000650679498 492661051 /nfs/dbraw/zinc/66/10/51/492661051.db2.gz QUFUJFQIJGBSMQ-HNAYVOBHSA-N 2 1 358.486 0.894 20 0 FCADMP C[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000650679498 492661053 /nfs/dbraw/zinc/66/10/53/492661053.db2.gz QUFUJFQIJGBSMQ-HNAYVOBHSA-N 2 1 358.486 0.894 20 0 FCADMP C[C@@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000650679498 492661057 /nfs/dbraw/zinc/66/10/57/492661057.db2.gz QUFUJFQIJGBSMQ-HNAYVOBHSA-N 2 1 358.486 0.894 20 0 FCADMP C[C@@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000650679498 492661058 /nfs/dbraw/zinc/66/10/58/492661058.db2.gz QUFUJFQIJGBSMQ-HNAYVOBHSA-N 2 1 358.486 0.894 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)cc1 ZINC000650705431 492663992 /nfs/dbraw/zinc/66/39/92/492663992.db2.gz GQBMTDQNXFHLCK-SJORKVTESA-N 2 1 350.438 0.889 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(F)cc1 ZINC000650705431 492663998 /nfs/dbraw/zinc/66/39/98/492663998.db2.gz GQBMTDQNXFHLCK-SJORKVTESA-N 2 1 350.438 0.889 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000629789700 492672593 /nfs/dbraw/zinc/67/25/93/492672593.db2.gz WRZRRXSXVWYGFC-UHFFFAOYSA-N 2 1 362.474 0.537 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000629789700 492672595 /nfs/dbraw/zinc/67/25/95/492672595.db2.gz WRZRRXSXVWYGFC-UHFFFAOYSA-N 2 1 362.474 0.537 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878395 492679616 /nfs/dbraw/zinc/67/96/16/492679616.db2.gz RYOSAKQVGLSBTK-NXHRZFHOSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878395 492679620 /nfs/dbraw/zinc/67/96/20/492679620.db2.gz RYOSAKQVGLSBTK-NXHRZFHOSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878395 492679625 /nfs/dbraw/zinc/67/96/25/492679625.db2.gz RYOSAKQVGLSBTK-NXHRZFHOSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878395 492679628 /nfs/dbraw/zinc/67/96/28/492679628.db2.gz RYOSAKQVGLSBTK-NXHRZFHOSA-N 2 1 368.522 0.584 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629802772 492680032 /nfs/dbraw/zinc/68/00/32/492680032.db2.gz PTGXWFZTNUQZAW-DGCLKSJQSA-N 2 1 364.412 0.525 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000629813639 492686346 /nfs/dbraw/zinc/68/63/46/492686346.db2.gz LCIWQGDTQWLYIT-XQHKEYJVSA-N 2 1 364.412 0.523 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000629813639 492686348 /nfs/dbraw/zinc/68/63/48/492686348.db2.gz LCIWQGDTQWLYIT-XQHKEYJVSA-N 2 1 364.412 0.523 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000629816011 492687204 /nfs/dbraw/zinc/68/72/04/492687204.db2.gz STHQUJBRHDMIST-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP C[N@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)Cc1ccc(F)cc1 ZINC000650958516 492688294 /nfs/dbraw/zinc/68/82/94/492688294.db2.gz KGBASZAZOVKJNJ-QGZVFWFLSA-N 2 1 350.438 0.718 20 0 FCADMP C[N@@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)Cc1ccc(F)cc1 ZINC000650958516 492688297 /nfs/dbraw/zinc/68/82/97/492688297.db2.gz KGBASZAZOVKJNJ-QGZVFWFLSA-N 2 1 350.438 0.718 20 0 FCADMP C[NH+](CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)Cc1ccc(F)cc1 ZINC000650958516 492688303 /nfs/dbraw/zinc/68/83/03/492688303.db2.gz KGBASZAZOVKJNJ-QGZVFWFLSA-N 2 1 350.438 0.718 20 0 FCADMP C[NH+](CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)Cc1ccc(F)cc1 ZINC000650958516 492688308 /nfs/dbraw/zinc/68/83/08/492688308.db2.gz KGBASZAZOVKJNJ-QGZVFWFLSA-N 2 1 350.438 0.718 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000636795563 492695977 /nfs/dbraw/zinc/69/59/77/492695977.db2.gz MMZJDVJBOARRHR-YESZJQIVSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000636795557 492696578 /nfs/dbraw/zinc/69/65/78/492696578.db2.gz MMZJDVJBOARRHR-BBWFWOEESA-N 2 1 356.511 0.489 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000651168209 492717603 /nfs/dbraw/zinc/71/76/03/492717603.db2.gz NMSBUJVRJREKFY-CYBMUJFWSA-N 2 1 352.460 0.597 20 0 FCADMP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000636950572 492736236 /nfs/dbraw/zinc/73/62/36/492736236.db2.gz WRHYLHVCCBBNGZ-BBRMVZONSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636950572 492736238 /nfs/dbraw/zinc/73/62/38/492736238.db2.gz WRHYLHVCCBBNGZ-BBRMVZONSA-N 2 1 350.467 0.990 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000644523619 492781743 /nfs/dbraw/zinc/78/17/43/492781743.db2.gz KSSHRQNPGNUAMJ-GOSISDBHSA-N 2 1 373.501 0.854 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000644523619 492781746 /nfs/dbraw/zinc/78/17/46/492781746.db2.gz KSSHRQNPGNUAMJ-GOSISDBHSA-N 2 1 373.501 0.854 20 0 FCADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637372379 492813056 /nfs/dbraw/zinc/81/30/56/492813056.db2.gz CQEKQUOFJHEYIZ-INIZCTEOSA-N 2 1 353.511 0.844 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000637377093 492815899 /nfs/dbraw/zinc/81/58/99/492815899.db2.gz VTOXNLLXLLBBMP-HNNXBMFYSA-N 2 1 353.511 0.842 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637377093 492815903 /nfs/dbraw/zinc/81/59/03/492815903.db2.gz VTOXNLLXLLBBMP-HNNXBMFYSA-N 2 1 353.511 0.842 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637377093 492815905 /nfs/dbraw/zinc/81/59/05/492815905.db2.gz VTOXNLLXLLBBMP-HNNXBMFYSA-N 2 1 353.511 0.842 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377067 492816191 /nfs/dbraw/zinc/81/61/91/492816191.db2.gz VBHITJVESZQJMI-JYJNAYRXSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377067 492816193 /nfs/dbraw/zinc/81/61/93/492816193.db2.gz VBHITJVESZQJMI-JYJNAYRXSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000637377067 492816196 /nfs/dbraw/zinc/81/61/96/492816196.db2.gz VBHITJVESZQJMI-JYJNAYRXSA-N 2 1 353.511 0.840 20 0 FCADMP COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990000 492836334 /nfs/dbraw/zinc/83/63/34/492836334.db2.gz PRSGJESJHDZSGU-LWYYNNOASA-N 3 1 356.514 0.998 20 0 FCADMP COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990000 492836338 /nfs/dbraw/zinc/83/63/38/492836338.db2.gz PRSGJESJHDZSGU-LWYYNNOASA-N 3 1 356.514 0.998 20 0 FCADMP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990000 492836341 /nfs/dbraw/zinc/83/63/41/492836341.db2.gz PRSGJESJHDZSGU-LWYYNNOASA-N 3 1 356.514 0.998 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846017 492861798 /nfs/dbraw/zinc/86/17/98/492861798.db2.gz QMECVGPMIGRUCW-GDBMZVCRSA-N 2 1 356.430 0.798 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846017 492861802 /nfs/dbraw/zinc/86/18/02/492861802.db2.gz QMECVGPMIGRUCW-GDBMZVCRSA-N 2 1 356.430 0.798 20 0 FCADMP CCCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645305420 492890736 /nfs/dbraw/zinc/89/07/36/492890736.db2.gz RMDIQUGTMFBNCW-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000645305420 492890738 /nfs/dbraw/zinc/89/07/38/492890738.db2.gz RMDIQUGTMFBNCW-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000645305420 492890741 /nfs/dbraw/zinc/89/07/41/492890741.db2.gz RMDIQUGTMFBNCW-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC[N@H+]3CCCOCC3)C2)C1 ZINC000652195563 492894777 /nfs/dbraw/zinc/89/47/77/492894777.db2.gz YFEAGLCUPALTOP-BRWVUGGUSA-N 2 1 354.495 0.637 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000631954219 492897662 /nfs/dbraw/zinc/89/76/62/492897662.db2.gz FNACNQWAPKSRQC-UHFFFAOYSA-N 2 1 360.524 0.102 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000638072187 492900109 /nfs/dbraw/zinc/90/01/09/492900109.db2.gz QPISNSAZCUHJAE-FCEWJHQRSA-N 2 1 360.458 0.842 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000638072187 492900112 /nfs/dbraw/zinc/90/01/12/492900112.db2.gz QPISNSAZCUHJAE-FCEWJHQRSA-N 2 1 360.458 0.842 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1 ZINC000638080392 492901588 /nfs/dbraw/zinc/90/15/88/492901588.db2.gz VCQUJJKKFKTOOG-LJQANCHMSA-N 2 1 362.518 0.955 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000632018855 492911201 /nfs/dbraw/zinc/91/12/01/492911201.db2.gz KMCKJZDZNNERDK-IRXDYDNUSA-N 2 1 360.568 0.758 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638129893 492912924 /nfs/dbraw/zinc/91/29/24/492912924.db2.gz AKOSOLWBIWUURP-UHFFFAOYSA-N 2 1 373.501 0.237 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348461 492913087 /nfs/dbraw/zinc/91/30/87/492913087.db2.gz FGWABOUVCDHGQU-FJIDUMEYSA-N 2 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348461 492913090 /nfs/dbraw/zinc/91/30/90/492913090.db2.gz FGWABOUVCDHGQU-FJIDUMEYSA-N 3 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348461 492913095 /nfs/dbraw/zinc/91/30/95/492913095.db2.gz FGWABOUVCDHGQU-FJIDUMEYSA-N 3 1 352.523 0.757 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000638135132 492913329 /nfs/dbraw/zinc/91/33/29/492913329.db2.gz QHYMZALXVONOAW-HDMKZQKVSA-N 2 1 366.531 0.920 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348665 492913449 /nfs/dbraw/zinc/91/34/49/492913449.db2.gz MLLMFUFCMXTQDT-BQFCYCMXSA-N 3 1 352.523 0.805 20 0 FCADMP CC[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638133977 492913491 /nfs/dbraw/zinc/91/34/91/492913491.db2.gz JZIZZSINCLROCN-MOPGFXCFSA-N 2 1 360.502 0.687 20 0 FCADMP CC[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638133977 492913495 /nfs/dbraw/zinc/91/34/95/492913495.db2.gz JZIZZSINCLROCN-MOPGFXCFSA-N 2 1 360.502 0.687 20 0 FCADMP C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000645494535 492913985 /nfs/dbraw/zinc/91/39/85/492913985.db2.gz RBWBCZWEQDYAQE-INIZCTEOSA-N 2 1 371.489 0.567 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652362740 492916558 /nfs/dbraw/zinc/91/65/58/492916558.db2.gz NUIWHKVMSVQKOU-BRSBDYLESA-N 2 1 366.506 0.474 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000658529700 492930545 /nfs/dbraw/zinc/93/05/45/492930545.db2.gz JLZXLXBBJQTZGW-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000658529700 492930548 /nfs/dbraw/zinc/93/05/48/492930548.db2.gz JLZXLXBBJQTZGW-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632113168 492932859 /nfs/dbraw/zinc/93/28/59/492932859.db2.gz SKPMJTKDVSSYRK-MRXNPFEDSA-N 2 1 372.535 0.041 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349560 492939066 /nfs/dbraw/zinc/93/90/66/492939066.db2.gz QCSMXDMBRSLNPR-HZPDHXFCSA-N 2 1 365.522 0.711 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000652463674 492939543 /nfs/dbraw/zinc/93/95/43/492939543.db2.gz PPPLWIGDOKVCIT-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000638437979 492946955 /nfs/dbraw/zinc/94/69/55/492946955.db2.gz RHXYYBRVQZKZFS-UHFFFAOYSA-N 2 1 369.531 0.931 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439459 492947667 /nfs/dbraw/zinc/94/76/67/492947667.db2.gz IDUAOJHSWQMBPF-HZPDHXFCSA-N 2 1 360.506 0.867 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000645925880 492988645 /nfs/dbraw/zinc/98/86/45/492988645.db2.gz WTWCNPDEBWESMW-UHFFFAOYSA-N 2 1 359.474 0.445 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949240 492988947 /nfs/dbraw/zinc/98/89/47/492988947.db2.gz ZJUZUDVAKHYKFZ-LUKYLMHMSA-N 2 1 350.507 0.953 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)c1ccsc1 ZINC000652682539 492989045 /nfs/dbraw/zinc/98/90/45/492989045.db2.gz MTDZWGKYSIUKFR-HNNXBMFYSA-N 2 1 352.504 0.973 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[N@@H+](C)C1CC1 ZINC000652686262 492990818 /nfs/dbraw/zinc/99/08/18/492990818.db2.gz CNNULBDTUBYOBB-DLTWYDFYSA-N 2 1 366.506 0.330 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652696120 492993052 /nfs/dbraw/zinc/99/30/52/492993052.db2.gz GKAHNZOGHGZUAT-RCCFBDPRSA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652696120 492993058 /nfs/dbraw/zinc/99/30/58/492993058.db2.gz GKAHNZOGHGZUAT-RCCFBDPRSA-N 2 1 358.486 0.758 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000652708631 492996627 /nfs/dbraw/zinc/99/66/27/492996627.db2.gz YMRTXWMINPFTGL-INIZCTEOSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646041583 493006651 /nfs/dbraw/zinc/00/66/51/493006651.db2.gz DEWMYLKZVSTAEF-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646041583 493006655 /nfs/dbraw/zinc/00/66/55/493006655.db2.gz DEWMYLKZVSTAEF-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736742 493013374 /nfs/dbraw/zinc/01/33/74/493013374.db2.gz OCNMVAWESVFSQO-IBGZPJMESA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736742 493013379 /nfs/dbraw/zinc/01/33/79/493013379.db2.gz OCNMVAWESVFSQO-IBGZPJMESA-N 2 1 372.513 0.959 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737111 493013809 /nfs/dbraw/zinc/01/38/09/493013809.db2.gz ZQWBJUWBKVEPPA-CGTJXYLNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737111 493013812 /nfs/dbraw/zinc/01/38/12/493013812.db2.gz ZQWBJUWBKVEPPA-CGTJXYLNSA-N 2 1 358.486 0.567 20 0 FCADMP CNS(=O)(=O)[C@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545124 493019049 /nfs/dbraw/zinc/01/90/49/493019049.db2.gz REIIZAOUEMCRGR-DLBZAZTESA-N 2 1 353.488 0.247 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712073 493022129 /nfs/dbraw/zinc/02/21/29/493022129.db2.gz QQLGWICYIWTVPL-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712073 493022131 /nfs/dbraw/zinc/02/21/31/493022131.db2.gz QQLGWICYIWTVPL-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712073 493022133 /nfs/dbraw/zinc/02/21/33/493022133.db2.gz QQLGWICYIWTVPL-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000658712073 493022135 /nfs/dbraw/zinc/02/21/35/493022135.db2.gz QQLGWICYIWTVPL-CEXWTWQISA-N 2 1 370.497 0.930 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[N@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616672 493023151 /nfs/dbraw/zinc/02/31/51/493023151.db2.gz CJOAXUZSQKHQJM-RBUKOAKNSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616672 493023155 /nfs/dbraw/zinc/02/31/55/493023155.db2.gz CJOAXUZSQKHQJM-RBUKOAKNSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616672 493023157 /nfs/dbraw/zinc/02/31/57/493023157.db2.gz CJOAXUZSQKHQJM-RBUKOAKNSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616672 493023161 /nfs/dbraw/zinc/02/31/61/493023161.db2.gz CJOAXUZSQKHQJM-RBUKOAKNSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@]2(CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616672 493023162 /nfs/dbraw/zinc/02/31/62/493023162.db2.gz CJOAXUZSQKHQJM-RBUKOAKNSA-N 2 1 358.442 0.297 20 0 FCADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)NCCCN1CCCC1=O ZINC000639682092 493031483 /nfs/dbraw/zinc/03/14/83/493031483.db2.gz KKMUKEYGSXDPNA-UHFFFAOYSA-N 2 1 359.474 0.722 20 0 FCADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)NCCCN1CCCC1=O ZINC000639682092 493031485 /nfs/dbraw/zinc/03/14/85/493031485.db2.gz KKMUKEYGSXDPNA-UHFFFAOYSA-N 2 1 359.474 0.722 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000626848785 493035526 /nfs/dbraw/zinc/03/55/26/493035526.db2.gz VSXUAQIMUXRASG-DOMZBBRYSA-N 2 1 361.446 0.101 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000626912415 493060843 /nfs/dbraw/zinc/06/08/43/493060843.db2.gz LTCBMLZTAQRMEY-OFQRWUPVSA-N 2 1 360.458 0.712 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cn2cc[nH+]c12 ZINC000658803860 493061117 /nfs/dbraw/zinc/06/11/17/493061117.db2.gz QYBIBPZMMIOABO-MRXNPFEDSA-N 2 1 371.441 0.951 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653112202 493072075 /nfs/dbraw/zinc/07/20/75/493072075.db2.gz QDQJEIYUVUECLT-JXFKEZNVSA-N 2 1 372.469 0.178 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CCOCC[NH3+] ZINC000626986119 493075589 /nfs/dbraw/zinc/07/55/89/493075589.db2.gz PNSFGEXJDYUNDS-KRWDZBQOSA-N 2 1 363.506 0.814 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124982 493075824 /nfs/dbraw/zinc/07/58/24/493075824.db2.gz ONNCQOARSGBCSM-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP Cc1cc(N2CCC(NC(=O)N(C)CCOCC[NH3+])CC2)nc(C)[nH+]1 ZINC000626994731 493076671 /nfs/dbraw/zinc/07/66/71/493076671.db2.gz HOLZHUMOSYZBIY-UHFFFAOYSA-N 2 1 350.467 0.679 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194663 493082743 /nfs/dbraw/zinc/08/27/43/493082743.db2.gz SAYFUSSZMFOUEO-YLAKUSLOSA-N 2 1 362.518 0.907 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000632920317 493096778 /nfs/dbraw/zinc/09/67/78/493096778.db2.gz XAKQPFWWEVADEU-ROUUACIJSA-N 2 1 371.485 0.971 20 0 FCADMP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000646802119 493099476 /nfs/dbraw/zinc/09/94/76/493099476.db2.gz ICVHQDMVCJQQTL-HNNXBMFYSA-N 2 1 370.461 0.460 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000633026564 493105331 /nfs/dbraw/zinc/10/53/31/493105331.db2.gz GHSXVQGREUPHHX-COXVUDFISA-N 2 1 358.442 0.591 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633097811 493124047 /nfs/dbraw/zinc/12/40/47/493124047.db2.gz TVJYVKIUPJFLCL-KSZLIROESA-N 2 1 356.470 0.682 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)C1 ZINC000659038111 493128710 /nfs/dbraw/zinc/12/87/10/493128710.db2.gz KBYWMBVQIHVHJK-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)C1 ZINC000659038111 493128714 /nfs/dbraw/zinc/12/87/14/493128714.db2.gz KBYWMBVQIHVHJK-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)C1 ZINC000659038111 493128717 /nfs/dbraw/zinc/12/87/17/493128717.db2.gz KBYWMBVQIHVHJK-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627291945 493136701 /nfs/dbraw/zinc/13/67/01/493136701.db2.gz ISFGKGDGSGFBLN-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000627296978 493139196 /nfs/dbraw/zinc/13/91/96/493139196.db2.gz YUVHDTUCZOQSRE-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP COc1c(C)c[nH+]c(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)c1C ZINC000640954915 493153562 /nfs/dbraw/zinc/15/35/62/493153562.db2.gz SPTXXWUKLPQSMH-UHFFFAOYSA-N 2 1 358.446 0.963 20 0 FCADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731997 493173061 /nfs/dbraw/zinc/17/30/61/493173061.db2.gz PXEQLWFGHGDQQC-ROUUACIJSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731997 493173066 /nfs/dbraw/zinc/17/30/66/493173066.db2.gz PXEQLWFGHGDQQC-ROUUACIJSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731997 493173070 /nfs/dbraw/zinc/17/30/70/493173070.db2.gz PXEQLWFGHGDQQC-ROUUACIJSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731997 493173076 /nfs/dbraw/zinc/17/30/76/493173076.db2.gz PXEQLWFGHGDQQC-ROUUACIJSA-N 2 1 366.506 0.555 20 0 FCADMP c1c(CCN2CC[NH2+]CC2)nnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000641181058 493176664 /nfs/dbraw/zinc/17/66/64/493176664.db2.gz PWVCMPLMKFZIPQ-UHFFFAOYSA-N 2 1 370.501 0.606 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659433389 493177001 /nfs/dbraw/zinc/17/70/01/493177001.db2.gz CSUOXFITGFVFNZ-QGZVFWFLSA-N 2 1 365.522 0.572 20 0 FCADMP COCC[NH2+]CCc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641180845 493177099 /nfs/dbraw/zinc/17/70/99/493177099.db2.gz MNKSJEKSIPYVHI-UHFFFAOYSA-N 2 1 359.474 0.937 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659453311 493183394 /nfs/dbraw/zinc/18/33/94/493183394.db2.gz KYAXQCMVQINRMX-RCCFBDPRSA-N 2 1 363.481 0.816 20 0 FCADMP OC[C@H]1CCC[N@@H+]1Cc1cn(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230520 493186293 /nfs/dbraw/zinc/18/62/93/493186293.db2.gz SCKMZDIUKKJOCZ-UXHICEINSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@H]1CCC[N@H+]1Cc1cn(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230520 493186295 /nfs/dbraw/zinc/18/62/95/493186295.db2.gz SCKMZDIUKKJOCZ-UXHICEINSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230520 493186299 /nfs/dbraw/zinc/18/62/99/493186299.db2.gz SCKMZDIUKKJOCZ-UXHICEINSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230520 493186303 /nfs/dbraw/zinc/18/63/03/493186303.db2.gz SCKMZDIUKKJOCZ-UXHICEINSA-N 2 1 371.485 0.872 20 0 FCADMP C[N@@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000659467750 493187261 /nfs/dbraw/zinc/18/72/61/493187261.db2.gz ZDEVFWODGVXVQD-UHFFFAOYSA-N 2 1 362.409 0.711 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481073 493192300 /nfs/dbraw/zinc/19/23/00/493192300.db2.gz FEAPJBMMLWSTJX-XJKSGUPXSA-N 2 1 370.457 0.961 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000627393691 493199874 /nfs/dbraw/zinc/19/98/74/493199874.db2.gz ICRMCCOEWSNGSF-QGZVFWFLSA-N 2 1 364.465 0.830 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627392650 493200099 /nfs/dbraw/zinc/20/00/99/493200099.db2.gz BCJYJSAJGJJKSJ-CHWSQXEVSA-N 2 1 366.428 0.820 20 0 FCADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627401931 493204105 /nfs/dbraw/zinc/20/41/05/493204105.db2.gz OGXZLJZVLHKSGL-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627401931 493204107 /nfs/dbraw/zinc/20/41/07/493204107.db2.gz OGXZLJZVLHKSGL-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000627407763 493206356 /nfs/dbraw/zinc/20/63/56/493206356.db2.gz DTJRAIYZCKDQOS-GOSISDBHSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000627407763 493206359 /nfs/dbraw/zinc/20/63/59/493206359.db2.gz DTJRAIYZCKDQOS-GOSISDBHSA-N 2 1 358.486 0.691 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627423345 493212146 /nfs/dbraw/zinc/21/21/46/493212146.db2.gz LEEOEZHOWYNWNC-HNNXBMFYSA-N 2 1 354.495 0.252 20 0 FCADMP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000666670366 493213214 /nfs/dbraw/zinc/21/32/14/493213214.db2.gz ODTBXWGNWJYZJA-KRWDZBQOSA-N 2 1 360.458 0.797 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672690921 493233216 /nfs/dbraw/zinc/23/32/16/493233216.db2.gz KAZOPQMSLDIRTE-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000672693174 493233821 /nfs/dbraw/zinc/23/38/21/493233821.db2.gz QQEPTWDDBGDUGY-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672699409 493236285 /nfs/dbraw/zinc/23/62/85/493236285.db2.gz WAJSNBWHKPPXDN-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672699410 493236333 /nfs/dbraw/zinc/23/63/33/493236333.db2.gz WAJSNBWHKPPXDN-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000666977703 493244417 /nfs/dbraw/zinc/24/44/17/493244417.db2.gz HGIFAZBBRWAGBJ-SJORKVTESA-N 2 1 354.495 0.386 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000659673962 493244812 /nfs/dbraw/zinc/24/48/12/493244812.db2.gz PFKZVKSTNLCYCQ-UHFFFAOYSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000659675580 493245741 /nfs/dbraw/zinc/24/57/41/493245741.db2.gz WADMAOHZYZXUKS-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC[N@H+]1C ZINC000659678628 493246996 /nfs/dbraw/zinc/24/69/96/493246996.db2.gz MDUHPLNMBXYWLB-PVAVHDDUSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000659684874 493251544 /nfs/dbraw/zinc/25/15/44/493251544.db2.gz KMKRUENOOIVVCX-GJZGRUSLSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000659684874 493251545 /nfs/dbraw/zinc/25/15/45/493251545.db2.gz KMKRUENOOIVVCX-GJZGRUSLSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000659684870 493252002 /nfs/dbraw/zinc/25/20/02/493252002.db2.gz KMKRUENOOIVVCX-CABCVRRESA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000659684870 493252005 /nfs/dbraw/zinc/25/20/05/493252005.db2.gz KMKRUENOOIVVCX-CABCVRRESA-N 2 1 362.474 0.248 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000659691541 493256234 /nfs/dbraw/zinc/25/62/34/493256234.db2.gz YODLJMRNUMJIHU-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000659691541 493256236 /nfs/dbraw/zinc/25/62/36/493256236.db2.gz YODLJMRNUMJIHU-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccn1 ZINC000682007572 493260346 /nfs/dbraw/zinc/26/03/46/493260346.db2.gz HUIQWGTUFBNNBW-UHFFFAOYSA-N 2 1 350.463 0.551 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccn1 ZINC000682007572 493260348 /nfs/dbraw/zinc/26/03/48/493260348.db2.gz HUIQWGTUFBNNBW-UHFFFAOYSA-N 2 1 350.463 0.551 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000659701278 493261300 /nfs/dbraw/zinc/26/13/00/493261300.db2.gz CVXWMBRVAPCTJK-GOEBONIOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000659700175 493261468 /nfs/dbraw/zinc/26/14/68/493261468.db2.gz CRLIZGDJOILEDY-YDHLFZDLSA-N 2 1 352.504 0.971 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659702797 493262640 /nfs/dbraw/zinc/26/26/40/493262640.db2.gz UXCNQWNJFRSIHC-KURKYZTESA-N 2 1 362.518 0.968 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704417 493263472 /nfs/dbraw/zinc/26/34/72/493263472.db2.gz OUFLVQTZNNLDEB-KRWDZBQOSA-N 2 1 368.522 0.309 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000682064345 493266722 /nfs/dbraw/zinc/26/67/22/493266722.db2.gz AMAGLWRRAIUXDZ-UHFFFAOYSA-N 2 1 362.474 0.602 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000682064345 493266724 /nfs/dbraw/zinc/26/67/24/493266724.db2.gz AMAGLWRRAIUXDZ-UHFFFAOYSA-N 2 1 362.474 0.602 20 0 FCADMP Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000682229606 493280816 /nfs/dbraw/zinc/28/08/16/493280816.db2.gz KTMIRIYBNPXVDA-OAHLLOKOSA-N 2 1 362.478 0.294 20 0 FCADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000659742474 493282223 /nfs/dbraw/zinc/28/22/23/493282223.db2.gz SBXULKIQCAASAE-QZTJIDSGSA-N 2 1 360.502 0.861 20 0 FCADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000659742474 493282226 /nfs/dbraw/zinc/28/22/26/493282226.db2.gz SBXULKIQCAASAE-QZTJIDSGSA-N 2 1 360.502 0.861 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744188 493282632 /nfs/dbraw/zinc/28/26/32/493282632.db2.gz RBWVAGIMIPTXRR-WEWVYDFXSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744188 493282634 /nfs/dbraw/zinc/28/26/34/493282634.db2.gz RBWVAGIMIPTXRR-WEWVYDFXSA-N 2 1 370.497 0.976 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000659750074 493285333 /nfs/dbraw/zinc/28/53/33/493285333.db2.gz MDUAQRXYBNKZKY-QGZVFWFLSA-N 2 1 360.502 0.878 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCc2n[nH]nc21 ZINC000667680773 493296078 /nfs/dbraw/zinc/29/60/78/493296078.db2.gz QVDDVKIVOFTOET-INIZCTEOSA-N 2 1 369.473 0.948 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795589 493302533 /nfs/dbraw/zinc/30/25/33/493302533.db2.gz HXVDDVADDAYOCO-QGZVFWFLSA-N 2 1 374.489 0.792 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000673351073 493320488 /nfs/dbraw/zinc/32/04/88/493320488.db2.gz JGODILIHVIPVHE-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000673427649 493327942 /nfs/dbraw/zinc/32/79/42/493327942.db2.gz CCLWRANVXGPKHV-DLBZAZTESA-N 2 1 368.522 0.593 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660709107 493374415 /nfs/dbraw/zinc/37/44/15/493374415.db2.gz ZVOGJXHWONMHRA-SFHVURJKSA-N 2 1 368.522 0.897 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660709107 493374418 /nfs/dbraw/zinc/37/44/18/493374418.db2.gz ZVOGJXHWONMHRA-SFHVURJKSA-N 2 1 368.522 0.897 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660710284 493374708 /nfs/dbraw/zinc/37/47/08/493374708.db2.gz LZCRQOLDDGNLER-OAHLLOKOSA-N 2 1 353.511 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660710284 493374709 /nfs/dbraw/zinc/37/47/09/493374709.db2.gz LZCRQOLDDGNLER-OAHLLOKOSA-N 2 1 353.511 0.711 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668548835 493375173 /nfs/dbraw/zinc/37/51/73/493375173.db2.gz PONPXMVGSXGZSO-KRWDZBQOSA-N 2 1 362.518 0.825 20 0 FCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000683877867 493376122 /nfs/dbraw/zinc/37/61/22/493376122.db2.gz RYQHAOOTVQCDPV-GASCZTMLSA-N 2 1 360.458 0.715 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000668584771 493380212 /nfs/dbraw/zinc/38/02/12/493380212.db2.gz FIZHEVKULWRJSI-ZWKOTPCHSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000660932436 493393967 /nfs/dbraw/zinc/39/39/67/493393967.db2.gz WXQODCIDQGWORY-YJBOKZPZSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660932436 493393970 /nfs/dbraw/zinc/39/39/70/493393970.db2.gz WXQODCIDQGWORY-YJBOKZPZSA-N 2 1 368.522 0.896 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000668830400 493417802 /nfs/dbraw/zinc/41/78/02/493417802.db2.gz BESXJVWCJCORHV-KRWDZBQOSA-N 2 1 366.506 0.347 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000661231711 493420179 /nfs/dbraw/zinc/42/01/79/493420179.db2.gz SMHDUAHTBBFPLH-INIZCTEOSA-N 2 1 353.511 0.762 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)CC2)c1 ZINC000661408721 493435412 /nfs/dbraw/zinc/43/54/12/493435412.db2.gz BCBLYTQDUQASND-DLBZAZTESA-N 2 1 371.485 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)CC2)c1 ZINC000661408721 493435416 /nfs/dbraw/zinc/43/54/16/493435416.db2.gz BCBLYTQDUQASND-DLBZAZTESA-N 2 1 371.485 0.591 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000661408798 493435469 /nfs/dbraw/zinc/43/54/69/493435469.db2.gz FWIDZXGNISKQJS-NVXWUHKLSA-N 2 1 357.458 0.283 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000675086751 493466062 /nfs/dbraw/zinc/46/60/62/493466062.db2.gz AWCCYTAFHOHCNP-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277033 493471757 /nfs/dbraw/zinc/47/17/57/493471757.db2.gz BYDBDHRINVUPJD-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277033 493471761 /nfs/dbraw/zinc/47/17/61/493471761.db2.gz BYDBDHRINVUPJD-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277033 493471765 /nfs/dbraw/zinc/47/17/65/493471765.db2.gz BYDBDHRINVUPJD-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277033 493471769 /nfs/dbraw/zinc/47/17/69/493471769.db2.gz BYDBDHRINVUPJD-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277032 493471830 /nfs/dbraw/zinc/47/18/30/493471830.db2.gz BYDBDHRINVUPJD-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277032 493471832 /nfs/dbraw/zinc/47/18/32/493471832.db2.gz BYDBDHRINVUPJD-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277032 493471833 /nfs/dbraw/zinc/47/18/33/493471833.db2.gz BYDBDHRINVUPJD-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277032 493471835 /nfs/dbraw/zinc/47/18/35/493471835.db2.gz BYDBDHRINVUPJD-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000675190046 493472600 /nfs/dbraw/zinc/47/26/00/493472600.db2.gz GYQYHBIAUNFKBF-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336619 493477789 /nfs/dbraw/zinc/47/77/89/493477789.db2.gz IJQBNPXJJLIASJ-ZBFHGGJFSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336619 493477790 /nfs/dbraw/zinc/47/77/90/493477790.db2.gz IJQBNPXJJLIASJ-ZBFHGGJFSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685338273 493478493 /nfs/dbraw/zinc/47/84/93/493478493.db2.gz BJSHRXBHMIHTMH-WBVHZDCISA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685338273 493478494 /nfs/dbraw/zinc/47/84/94/493478494.db2.gz BJSHRXBHMIHTMH-WBVHZDCISA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685338273 493478498 /nfs/dbraw/zinc/47/84/98/493478498.db2.gz BJSHRXBHMIHTMH-WBVHZDCISA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685338273 493478501 /nfs/dbraw/zinc/47/85/01/493478501.db2.gz BJSHRXBHMIHTMH-WBVHZDCISA-N 2 1 368.522 0.401 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685337175 493478821 /nfs/dbraw/zinc/47/88/21/493478821.db2.gz DQFAEFTXTCODRO-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337175 493478822 /nfs/dbraw/zinc/47/88/22/493478822.db2.gz DQFAEFTXTCODRO-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000669251728 493483588 /nfs/dbraw/zinc/48/35/88/493483588.db2.gz YOKNOJRFVCUPDP-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000669251728 493483589 /nfs/dbraw/zinc/48/35/89/493483589.db2.gz YOKNOJRFVCUPDP-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000669251728 493483590 /nfs/dbraw/zinc/48/35/90/493483590.db2.gz YOKNOJRFVCUPDP-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000662058284 493486946 /nfs/dbraw/zinc/48/69/46/493486946.db2.gz WWOIRKHKOPKKHR-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000685444531 493493242 /nfs/dbraw/zinc/49/32/42/493493242.db2.gz FKVFXYAFKRDLAA-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000685444531 493493244 /nfs/dbraw/zinc/49/32/44/493493244.db2.gz FKVFXYAFKRDLAA-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000685444531 493493247 /nfs/dbraw/zinc/49/32/47/493493247.db2.gz FKVFXYAFKRDLAA-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000685444531 493493251 /nfs/dbraw/zinc/49/32/51/493493251.db2.gz FKVFXYAFKRDLAA-GJZGRUSLSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000662221619 493497741 /nfs/dbraw/zinc/49/77/41/493497741.db2.gz BGZLOGJQEANVOV-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@@H](O)C[N@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000662221619 493497743 /nfs/dbraw/zinc/49/77/43/493497743.db2.gz BGZLOGJQEANVOV-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000662221619 493497744 /nfs/dbraw/zinc/49/77/44/493497744.db2.gz BGZLOGJQEANVOV-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498193 /nfs/dbraw/zinc/49/81/93/493498193.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498195 /nfs/dbraw/zinc/49/81/95/493498195.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498197 /nfs/dbraw/zinc/49/81/97/493498197.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222566 493498567 /nfs/dbraw/zinc/49/85/67/493498567.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222566 493498568 /nfs/dbraw/zinc/49/85/68/493498568.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222566 493498571 /nfs/dbraw/zinc/49/85/71/493498571.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 2 1 372.598 0.783 20 0 FCADMP O=C(CN1CCOCC1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261502 493500679 /nfs/dbraw/zinc/50/06/79/493500679.db2.gz YVAJNVDBAVATRP-UHFFFAOYSA-N 2 1 358.486 0.309 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)NC1CCCCC1 ZINC000662260966 493500693 /nfs/dbraw/zinc/50/06/93/493500693.db2.gz DMIKEFLQVBBEMQ-KRWDZBQOSA-N 2 1 350.507 0.574 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000685520310 493501187 /nfs/dbraw/zinc/50/11/87/493501187.db2.gz DJIRTCBJWUSGEE-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000685520310 493501189 /nfs/dbraw/zinc/50/11/89/493501189.db2.gz DJIRTCBJWUSGEE-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000662265557 493501507 /nfs/dbraw/zinc/50/15/07/493501507.db2.gz RALRFCZDYWCBQE-HUUCEWRRSA-N 2 1 363.510 0.551 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367586 493501744 /nfs/dbraw/zinc/50/17/44/493501744.db2.gz POKQWKDGAQEFMT-FUHWJXTLSA-N 2 1 361.490 0.485 20 0 FCADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262964 493501887 /nfs/dbraw/zinc/50/18/87/493501887.db2.gz JGIMVFKRMBCSIO-GJZGRUSLSA-N 2 1 365.478 0.806 20 0 FCADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262967 493501917 /nfs/dbraw/zinc/50/19/17/493501917.db2.gz JGIMVFKRMBCSIO-LSDHHAIUSA-N 2 1 365.478 0.806 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284911 493502362 /nfs/dbraw/zinc/50/23/62/493502362.db2.gz QOWBIBPSXRDPTJ-UHFFFAOYSA-N 2 1 374.529 0.733 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CNC2(CO)CC[NH2+]CC2)CC1 ZINC000662285946 493502667 /nfs/dbraw/zinc/50/26/67/493502667.db2.gz BNZQVJDAXVAZJA-UHFFFAOYSA-N 2 1 374.529 0.733 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000662296752 493504435 /nfs/dbraw/zinc/50/44/35/493504435.db2.gz MZMWYEULZQUNEK-GOSISDBHSA-N 2 1 362.518 0.779 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662384502 493511721 /nfs/dbraw/zinc/51/17/21/493511721.db2.gz PIGCSKYANNQIOW-UHFFFAOYSA-N 2 1 357.462 0.627 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cnn1C ZINC000662462267 493517718 /nfs/dbraw/zinc/51/77/18/493517718.db2.gz KJKBTPUWJBJZFF-NZSAHSFTSA-N 2 1 374.533 0.270 20 0 FCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662534444 493524433 /nfs/dbraw/zinc/52/44/33/493524433.db2.gz HJUBPUWEZRPGIM-CHWSQXEVSA-N 2 1 353.385 0.463 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662697228 493532463 /nfs/dbraw/zinc/53/24/63/493532463.db2.gz CKJWVPXQVHAZJP-IRXDYDNUSA-N 2 1 360.458 0.767 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702428 493533459 /nfs/dbraw/zinc/53/34/59/493533459.db2.gz AAGNWSXCLQYIOJ-IAQYHMDHSA-N 2 1 354.401 0.668 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702428 493533461 /nfs/dbraw/zinc/53/34/61/493533461.db2.gz AAGNWSXCLQYIOJ-IAQYHMDHSA-N 2 1 354.401 0.668 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000662717632 493534181 /nfs/dbraw/zinc/53/41/81/493534181.db2.gz QBWCOCQHVOWALH-HYVNUMGLSA-N 2 1 362.478 0.264 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000662752835 493537649 /nfs/dbraw/zinc/53/76/49/493537649.db2.gz LGRDMDXDJDWZFU-HNNXBMFYSA-N 2 1 357.414 0.158 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000662752835 493537650 /nfs/dbraw/zinc/53/76/50/493537650.db2.gz LGRDMDXDJDWZFU-HNNXBMFYSA-N 2 1 357.414 0.158 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662753130 493538646 /nfs/dbraw/zinc/53/86/46/493538646.db2.gz NTLFQYBHHFVMCR-MSOLQXFVSA-N 2 1 374.485 0.696 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662787299 493542071 /nfs/dbraw/zinc/54/20/71/493542071.db2.gz MGNJTDCPEILMPE-HNNXBMFYSA-N 2 1 350.467 0.387 20 0 FCADMP C[C@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676303494 493543226 /nfs/dbraw/zinc/54/32/26/493543226.db2.gz CUIOIYFWQOSQTJ-WMZOPIPTSA-N 2 1 368.522 0.849 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc(F)cc3F)C2)nn1 ZINC000662813570 493544380 /nfs/dbraw/zinc/54/43/80/493544380.db2.gz KXRZGXSLQMMBHH-DOMZBBRYSA-N 2 1 350.373 0.879 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676308449 493544806 /nfs/dbraw/zinc/54/48/06/493544806.db2.gz WWZLRDWGVCXNQX-YESZJQIVSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676308449 493544807 /nfs/dbraw/zinc/54/48/07/493544807.db2.gz WWZLRDWGVCXNQX-YESZJQIVSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676308449 493544808 /nfs/dbraw/zinc/54/48/08/493544808.db2.gz WWZLRDWGVCXNQX-YESZJQIVSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308449 493544810 /nfs/dbraw/zinc/54/48/10/493544810.db2.gz WWZLRDWGVCXNQX-YESZJQIVSA-N 2 1 353.511 0.127 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662817263 493544845 /nfs/dbraw/zinc/54/48/45/493544845.db2.gz UFTLFIDNWQMGDH-QAPCUYQASA-N 2 1 361.490 0.947 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662921502 493553498 /nfs/dbraw/zinc/55/34/98/493553498.db2.gz BVZCFOVCOHVVEJ-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662926041 493554386 /nfs/dbraw/zinc/55/43/86/493554386.db2.gz OIFBVPMXQVKUGX-QGZVFWFLSA-N 2 1 361.490 0.702 20 0 FCADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662927402 493554421 /nfs/dbraw/zinc/55/44/21/493554421.db2.gz YCMNYGUIPVKILK-SFHVURJKSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946171 493559146 /nfs/dbraw/zinc/55/91/46/493559146.db2.gz BBTBGSIEJXNOCM-SJLPKXTDSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662950027 493559634 /nfs/dbraw/zinc/55/96/34/493559634.db2.gz FMQPKBJSSSYQCG-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662957198 493560767 /nfs/dbraw/zinc/56/07/67/493560767.db2.gz UTAYGGGRKWRIDC-FUHWJXTLSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000670526567 493576987 /nfs/dbraw/zinc/57/69/87/493576987.db2.gz QPYJGTITVZIBEF-DZGCQCFKSA-N 2 1 350.463 0.845 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670572894 493580269 /nfs/dbraw/zinc/58/02/69/493580269.db2.gz OAPHJHKAJHEJET-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670572894 493580272 /nfs/dbraw/zinc/58/02/72/493580272.db2.gz OAPHJHKAJHEJET-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363053 493585415 /nfs/dbraw/zinc/58/54/15/493585415.db2.gz GNGXDCORCGIBPD-JKSUJKDBSA-N 2 1 373.453 0.486 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@H](C)C2)CC1=O ZINC000677175776 493588107 /nfs/dbraw/zinc/58/81/07/493588107.db2.gz JODGYIXRTRZYIL-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)[C@H](C)C2)CC1=O ZINC000677175776 493588108 /nfs/dbraw/zinc/58/81/08/493588108.db2.gz JODGYIXRTRZYIL-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)[C@H](C)C2)CC1=O ZINC000677175776 493588109 /nfs/dbraw/zinc/58/81/09/493588109.db2.gz JODGYIXRTRZYIL-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCOCC3CC3)C2)CC1 ZINC000670712141 493589907 /nfs/dbraw/zinc/58/99/07/493589907.db2.gz GKZROHRJTHEHRI-INIZCTEOSA-N 2 1 366.506 0.204 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCOCC3CC3)C2)CC1 ZINC000670712141 493589909 /nfs/dbraw/zinc/58/99/09/493589909.db2.gz GKZROHRJTHEHRI-INIZCTEOSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000663486309 493592046 /nfs/dbraw/zinc/59/20/46/493592046.db2.gz BCDPSHADKMFINS-ROUUACIJSA-N 2 1 362.474 0.335 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000670805042 493598583 /nfs/dbraw/zinc/59/85/83/493598583.db2.gz WWYDPSPLVBGFNK-ZBFHGGJFSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000670805042 493598587 /nfs/dbraw/zinc/59/85/87/493598587.db2.gz WWYDPSPLVBGFNK-ZBFHGGJFSA-N 2 1 354.495 0.058 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CC(C)C ZINC000670834628 493603694 /nfs/dbraw/zinc/60/36/94/493603694.db2.gz WNWPEVUBQPWEER-ULQDDVLXSA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000670834628 493603695 /nfs/dbraw/zinc/60/36/95/493603695.db2.gz WNWPEVUBQPWEER-ULQDDVLXSA-N 2 1 370.538 0.694 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000663617608 493604908 /nfs/dbraw/zinc/60/49/08/493604908.db2.gz MEALOPZFBDZTMF-MRXNPFEDSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000663617608 493604910 /nfs/dbraw/zinc/60/49/10/493604910.db2.gz MEALOPZFBDZTMF-MRXNPFEDSA-N 2 1 365.522 0.857 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670982699 493619286 /nfs/dbraw/zinc/61/92/86/493619286.db2.gz MXPOWOQVIWBSQU-UHFFFAOYSA-N 2 1 356.430 0.442 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000670983747 493620142 /nfs/dbraw/zinc/62/01/42/493620142.db2.gz JJZIWPNCCCHHNQ-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000670984971 493620586 /nfs/dbraw/zinc/62/05/86/493620586.db2.gz BHSIHPQBQQZPJD-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000670984971 493620588 /nfs/dbraw/zinc/62/05/88/493620588.db2.gz BHSIHPQBQQZPJD-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000670984971 493620590 /nfs/dbraw/zinc/62/05/90/493620590.db2.gz BHSIHPQBQQZPJD-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000670988797 493620706 /nfs/dbraw/zinc/62/07/06/493620706.db2.gz YZAVMGOQGMRGNT-DOTOQJQBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000670988797 493620708 /nfs/dbraw/zinc/62/07/08/493620708.db2.gz YZAVMGOQGMRGNT-DOTOQJQBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670988797 493620709 /nfs/dbraw/zinc/62/07/09/493620709.db2.gz YZAVMGOQGMRGNT-DOTOQJQBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670988797 493620711 /nfs/dbraw/zinc/62/07/11/493620711.db2.gz YZAVMGOQGMRGNT-DOTOQJQBSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874791 493620755 /nfs/dbraw/zinc/62/07/55/493620755.db2.gz DLKFOLFWCBBNKL-GJZGRUSLSA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874791 493620758 /nfs/dbraw/zinc/62/07/58/493620758.db2.gz DLKFOLFWCBBNKL-GJZGRUSLSA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874791 493620759 /nfs/dbraw/zinc/62/07/59/493620759.db2.gz DLKFOLFWCBBNKL-GJZGRUSLSA-N 2 1 354.520 0.364 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664066074 493634086 /nfs/dbraw/zinc/63/40/86/493634086.db2.gz QYADGDIJTYUILP-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664066074 493634088 /nfs/dbraw/zinc/63/40/88/493634088.db2.gz QYADGDIJTYUILP-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664066074 493634089 /nfs/dbraw/zinc/63/40/89/493634089.db2.gz QYADGDIJTYUILP-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671103233 493634264 /nfs/dbraw/zinc/63/42/64/493634264.db2.gz ZWCIVXWHOIAZDQ-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104486 493634977 /nfs/dbraw/zinc/63/49/77/493634977.db2.gz JBMYGUXHPAQKTM-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104486 493634978 /nfs/dbraw/zinc/63/49/78/493634978.db2.gz JBMYGUXHPAQKTM-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104486 493634979 /nfs/dbraw/zinc/63/49/79/493634979.db2.gz JBMYGUXHPAQKTM-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000671108078 493635899 /nfs/dbraw/zinc/63/58/99/493635899.db2.gz MQOMOUOKQCIBIN-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108114 493636561 /nfs/dbraw/zinc/63/65/61/493636561.db2.gz VSXVZDZTMCJDFE-HZPDHXFCSA-N 2 1 362.474 0.913 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000664141318 493639723 /nfs/dbraw/zinc/63/97/23/493639723.db2.gz MSMSTWWYPYXQBS-YVSFHVDLSA-N 2 1 356.511 0.440 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000671171262 493645183 /nfs/dbraw/zinc/64/51/83/493645183.db2.gz LHUKNTYYCDOSGB-IRXDYDNUSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H](CCN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778926 493683137 /nfs/dbraw/zinc/68/31/37/493683137.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@@H](CCN1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778926 493683139 /nfs/dbraw/zinc/68/31/39/493683139.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@@H](CCN1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778926 493683142 /nfs/dbraw/zinc/68/31/42/493683142.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@@H](CC[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000664778926 493683145 /nfs/dbraw/zinc/68/31/45/493683145.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@@H](CC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000664778926 493683148 /nfs/dbraw/zinc/68/31/48/493683148.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@@H](CC[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000664778926 493683151 /nfs/dbraw/zinc/68/31/51/493683151.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@@H](CC[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000664778926 493683153 /nfs/dbraw/zinc/68/31/53/493683153.db2.gz XAGGUAIYHOOXTB-UHZRXMQZSA-N 2 1 370.582 0.539 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665271272 493707983 /nfs/dbraw/zinc/70/79/83/493707983.db2.gz KNGSOEKUZSDMIA-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009161 493723893 /nfs/dbraw/zinc/72/38/93/493723893.db2.gz YXQNUMFWDFSLCR-JKSUJKDBSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013574 493724904 /nfs/dbraw/zinc/72/49/04/493724904.db2.gz LRULFUDJBIRQCL-WMLDXEAASA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000672012961 493724953 /nfs/dbraw/zinc/72/49/53/493724953.db2.gz DXLPKMWOQUWYIK-USXIJHARSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012933 493724983 /nfs/dbraw/zinc/72/49/83/493724983.db2.gz DRXHXGXXXWBVBC-CABCVRRESA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012933 493724986 /nfs/dbraw/zinc/72/49/86/493724986.db2.gz DRXHXGXXXWBVBC-CABCVRRESA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308750 493753247 /nfs/dbraw/zinc/75/32/47/493753247.db2.gz BFTBGIVAKXDPHL-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308750 493753248 /nfs/dbraw/zinc/75/32/48/493753248.db2.gz BFTBGIVAKXDPHL-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308750 493753250 /nfs/dbraw/zinc/75/32/50/493753250.db2.gz BFTBGIVAKXDPHL-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308749 493753816 /nfs/dbraw/zinc/75/38/16/493753816.db2.gz BFTBGIVAKXDPHL-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310971 493754718 /nfs/dbraw/zinc/75/47/18/493754718.db2.gz QBLIUIOTAZCHEO-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672310971 493754719 /nfs/dbraw/zinc/75/47/19/493754719.db2.gz QBLIUIOTAZCHEO-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672310971 493754721 /nfs/dbraw/zinc/75/47/21/493754721.db2.gz QBLIUIOTAZCHEO-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311310 493754775 /nfs/dbraw/zinc/75/47/75/493754775.db2.gz CUISJHPRWQWUSD-WMLDXEAASA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)CN1CC[NH+](C)CC1 ZINC000173919696 533999430 /nfs/dbraw/zinc/99/94/30/533999430.db2.gz UKDGFFRPJLNPGH-HNNXBMFYSA-N 2 1 351.499 0.450 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000410469674 534019776 /nfs/dbraw/zinc/01/97/76/534019776.db2.gz CSLADKUDGVBOPB-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410475691 534019805 /nfs/dbraw/zinc/01/98/05/534019805.db2.gz NLFFZJJIKIUBAI-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423643674 536459906 /nfs/dbraw/zinc/45/99/06/536459906.db2.gz CWKWWSYUHBWCPH-ZWKOTPCHSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423643674 536459909 /nfs/dbraw/zinc/45/99/09/536459909.db2.gz CWKWWSYUHBWCPH-ZWKOTPCHSA-N 2 1 358.486 0.440 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845228 527805165 /nfs/dbraw/zinc/80/51/65/527805165.db2.gz QMQVWNMIESDFTK-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410845228 527805171 /nfs/dbraw/zinc/80/51/71/527805171.db2.gz QMQVWNMIESDFTK-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410845228 527805173 /nfs/dbraw/zinc/80/51/73/527805173.db2.gz QMQVWNMIESDFTK-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000410730408 527822541 /nfs/dbraw/zinc/82/25/41/527822541.db2.gz MNCZXXZRJWJVFX-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C ZINC000410730408 527822548 /nfs/dbraw/zinc/82/25/48/527822548.db2.gz MNCZXXZRJWJVFX-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C ZINC000410730408 527822552 /nfs/dbraw/zinc/82/25/52/527822552.db2.gz MNCZXXZRJWJVFX-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C ZINC000410730408 527822556 /nfs/dbraw/zinc/82/25/56/527822556.db2.gz MNCZXXZRJWJVFX-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000410489942 527822804 /nfs/dbraw/zinc/82/28/04/527822804.db2.gz BERASPZDTHEFFH-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000410489942 527822812 /nfs/dbraw/zinc/82/28/12/527822812.db2.gz BERASPZDTHEFFH-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000178693298 527973015 /nfs/dbraw/zinc/97/30/15/527973015.db2.gz FCOGVNHAZQTFQR-KRWDZBQOSA-N 2 1 367.538 0.818 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000178693298 527973019 /nfs/dbraw/zinc/97/30/19/527973019.db2.gz FCOGVNHAZQTFQR-KRWDZBQOSA-N 2 1 367.538 0.818 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410764807 528074152 /nfs/dbraw/zinc/07/41/52/528074152.db2.gz DQJQDWBGAQYCJJ-CALCHBBNSA-N 2 1 370.538 0.480 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410764807 528074161 /nfs/dbraw/zinc/07/41/61/528074161.db2.gz DQJQDWBGAQYCJJ-CALCHBBNSA-N 2 1 370.538 0.480 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410806340 528433121 /nfs/dbraw/zinc/43/31/21/528433121.db2.gz DPXUKBKWDNXEND-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410806340 528433124 /nfs/dbraw/zinc/43/31/24/528433124.db2.gz DPXUKBKWDNXEND-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000410436004 528711876 /nfs/dbraw/zinc/71/18/76/528711876.db2.gz QZBPJTRUYXMISM-SJORKVTESA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000410436004 528711886 /nfs/dbraw/zinc/71/18/86/528711886.db2.gz QZBPJTRUYXMISM-SJORKVTESA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(C)C ZINC000410772564 528887221 /nfs/dbraw/zinc/88/72/21/528887221.db2.gz FUQVASWDDGSJBO-CALCHBBNSA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)C ZINC000410772564 528887225 /nfs/dbraw/zinc/88/72/25/528887225.db2.gz FUQVASWDDGSJBO-CALCHBBNSA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000410536770 529029687 /nfs/dbraw/zinc/02/96/87/529029687.db2.gz CZWHSRLHGXVEIR-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000411017468 529074624 /nfs/dbraw/zinc/07/46/24/529074624.db2.gz BRWHAQOZJVJLMB-IRXDYDNUSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000411017468 529074627 /nfs/dbraw/zinc/07/46/27/529074627.db2.gz BRWHAQOZJVJLMB-IRXDYDNUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413296936 529200716 /nfs/dbraw/zinc/20/07/16/529200716.db2.gz RBKFCWUYNHPKDS-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413296936 529200718 /nfs/dbraw/zinc/20/07/18/529200718.db2.gz RBKFCWUYNHPKDS-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413296936 529200720 /nfs/dbraw/zinc/20/07/20/529200720.db2.gz RBKFCWUYNHPKDS-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419971202 535066620 /nfs/dbraw/zinc/06/66/20/535066620.db2.gz DEUADCLRHDKLIO-LVQVYYBASA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419695575 535072081 /nfs/dbraw/zinc/07/20/81/535072081.db2.gz LAHDWQDVRZPFFK-CVEARBPZSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419698214 535074448 /nfs/dbraw/zinc/07/44/48/535074448.db2.gz PFDUKKFCVNXJBV-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419155871 535081611 /nfs/dbraw/zinc/08/16/11/535081611.db2.gz SENOFENFQKKYNH-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000444169457 535440258 /nfs/dbraw/zinc/44/02/58/535440258.db2.gz KGRQONCRSXIUQK-SPYBWZPUSA-N 2 1 368.522 0.578 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419156174 535463211 /nfs/dbraw/zinc/46/32/11/535463211.db2.gz VAXWYFXTXXINDP-CQSZACIVSA-N 2 1 352.504 0.802 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419445851 535464087 /nfs/dbraw/zinc/46/40/87/535464087.db2.gz FJHLCDHABWEHAP-MRXNPFEDSA-N 2 1 361.490 0.039 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790532 535595622 /nfs/dbraw/zinc/59/56/22/535595622.db2.gz PPGKLXGWLABERL-HNNXBMFYSA-N 2 1 351.499 0.415 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000414936129 535597719 /nfs/dbraw/zinc/59/77/19/535597719.db2.gz BQKTWONNJQDKEA-HNAYVOBHSA-N 2 1 369.506 0.925 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425675041 535711691 /nfs/dbraw/zinc/71/16/91/535711691.db2.gz DVGQHPWWAHZGKM-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425675041 535711696 /nfs/dbraw/zinc/71/16/96/535711696.db2.gz DVGQHPWWAHZGKM-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425675041 535711705 /nfs/dbraw/zinc/71/17/05/535711705.db2.gz DVGQHPWWAHZGKM-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375854 535717070 /nfs/dbraw/zinc/71/70/70/535717070.db2.gz FDPOTWDFRUNNOV-WOCWXWTJSA-N 2 1 366.550 0.909 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423621907 535733080 /nfs/dbraw/zinc/73/30/80/535733080.db2.gz LLCJSEWSSHLYHJ-CVEARBPZSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423621907 535733083 /nfs/dbraw/zinc/73/30/83/535733083.db2.gz LLCJSEWSSHLYHJ-CVEARBPZSA-N 2 1 354.495 0.286 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1Cl ZINC000439857085 535993301 /nfs/dbraw/zinc/99/33/01/535993301.db2.gz OCEYPYXDKABWDP-QGZVFWFLSA-N 2 1 368.865 0.523 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1Cl ZINC000439857085 535993307 /nfs/dbraw/zinc/99/33/07/535993307.db2.gz OCEYPYXDKABWDP-QGZVFWFLSA-N 2 1 368.865 0.523 20 0 FCADMP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCC(=O)N1CC[NH+](C)CC1 ZINC000425530451 536344617 /nfs/dbraw/zinc/34/46/17/536344617.db2.gz AWSGIMCDWWUQKT-UHFFFAOYSA-N 2 1 372.469 0.769 20 0 FCADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CCC(=O)N1CC[NH+](C)CC1 ZINC000425530451 536344620 /nfs/dbraw/zinc/34/46/20/536344620.db2.gz AWSGIMCDWWUQKT-UHFFFAOYSA-N 2 1 372.469 0.769 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423615739 536367744 /nfs/dbraw/zinc/36/77/44/536367744.db2.gz VHNGIRLVSIWWGJ-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419221466 536369264 /nfs/dbraw/zinc/36/92/64/536369264.db2.gz AQJSBOHGSHRUNE-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423385956 536372789 /nfs/dbraw/zinc/37/27/89/536372789.db2.gz LNMRDNSTSTZLJI-KRWDZBQOSA-N 2 1 373.501 0.074 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000414964581 536376788 /nfs/dbraw/zinc/37/67/88/536376788.db2.gz MLDXJCKCJSZFBK-RHSMWYFYSA-N 2 1 360.458 0.905 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423701453 536400276 /nfs/dbraw/zinc/40/02/76/536400276.db2.gz WOUGCLKLFPXVHI-YLJYHZDGSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423701453 536400277 /nfs/dbraw/zinc/40/02/77/536400277.db2.gz WOUGCLKLFPXVHI-YLJYHZDGSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503876 536416931 /nfs/dbraw/zinc/41/69/31/536416931.db2.gz INXXIYVVUIJYTP-SJORKVTESA-N 2 1 373.501 0.134 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415313034 536417473 /nfs/dbraw/zinc/41/74/73/536417473.db2.gz DFKHOUBJSFRFDG-KRWDZBQOSA-N 2 1 360.458 0.320 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000415305814 536417483 /nfs/dbraw/zinc/41/74/83/536417483.db2.gz VODYENKYMPDBFX-PBHICJAKSA-N 2 1 360.458 0.839 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000419948729 536449748 /nfs/dbraw/zinc/44/97/48/536449748.db2.gz KNSNQJJKDZHXTK-MRXNPFEDSA-N 2 1 367.538 0.025 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000423893609 536454101 /nfs/dbraw/zinc/45/41/01/536454101.db2.gz LJYKCSCEMCYATQ-ZBFHGGJFSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000423893609 536454104 /nfs/dbraw/zinc/45/41/04/536454104.db2.gz LJYKCSCEMCYATQ-ZBFHGGJFSA-N 2 1 363.462 0.517 20 0 FCADMP COC[C@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000424024754 536655146 /nfs/dbraw/zinc/65/51/46/536655146.db2.gz XWWAOIZFPZJPGI-IBGZPJMESA-N 2 1 360.502 0.722 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419673301 536780044 /nfs/dbraw/zinc/78/00/44/536780044.db2.gz HCWMZGWOPPXOAU-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419680380 536780483 /nfs/dbraw/zinc/78/04/83/536780483.db2.gz RDLBORKVOPHKCM-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000418849774 537107769 /nfs/dbraw/zinc/10/77/69/537107769.db2.gz NGKWQVPILHSOMV-YCPHGPKFSA-N 2 1 362.474 0.610 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000418853925 537107817 /nfs/dbraw/zinc/10/78/17/537107817.db2.gz SQGLZOMKWMOVPG-SVGFKBNWSA-N 2 1 374.485 0.610 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419331147 537108199 /nfs/dbraw/zinc/10/81/99/537108199.db2.gz CMBXKUMKBMTADY-WBVHZDCISA-N 2 1 374.485 0.898 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC000948385695 674376214 /nfs/dbraw/zinc/37/62/14/674376214.db2.gz OMYJUBDFLSTVCG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC000948385695 674376218 /nfs/dbraw/zinc/37/62/18/674376218.db2.gz OMYJUBDFLSTVCG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC000948385695 674376224 /nfs/dbraw/zinc/37/62/24/674376224.db2.gz OMYJUBDFLSTVCG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP COC(=O)CSCCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370817226 546534440 /nfs/dbraw/zinc/53/44/40/546534440.db2.gz BWJYDFYSJIHTGA-OAHLLOKOSA-N 2 1 357.520 0.910 20 0 FCADMP COC(=O)CSCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370817226 546534443 /nfs/dbraw/zinc/53/44/43/546534443.db2.gz BWJYDFYSJIHTGA-OAHLLOKOSA-N 2 1 357.520 0.910 20 0 FCADMP COCC[N@H+](C)CCCC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000131130901 546568897 /nfs/dbraw/zinc/56/88/97/546568897.db2.gz GDACIRJHBQPNTE-UHFFFAOYSA-N 2 1 354.539 0.831 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000131130901 546568900 /nfs/dbraw/zinc/56/89/00/546568900.db2.gz GDACIRJHBQPNTE-UHFFFAOYSA-N 2 1 354.539 0.831 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC000948410431 674377055 /nfs/dbraw/zinc/37/70/55/674377055.db2.gz PKTLMIAIKWCIOL-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000948410431 674377059 /nfs/dbraw/zinc/37/70/59/674377059.db2.gz PKTLMIAIKWCIOL-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000948410431 674377067 /nfs/dbraw/zinc/37/70/67/674377067.db2.gz PKTLMIAIKWCIOL-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CC1(C)CC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC(C)(C)[NH2+]1 ZINC000594084543 546773976 /nfs/dbraw/zinc/77/39/76/546773976.db2.gz YBUZNURRAIVJOC-CQSZACIVSA-N 2 1 353.511 0.935 20 0 FCADMP C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172076 546879713 /nfs/dbraw/zinc/87/97/13/546879713.db2.gz ICSZXYSXBIGTFA-QGZVFWFLSA-N 2 1 366.531 0.934 20 0 FCADMP CCC[C@@H]1CN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000501791845 546907896 /nfs/dbraw/zinc/90/78/96/546907896.db2.gz GWLCRIWKIHJRMJ-FCGDIQPGSA-N 2 1 357.539 0.889 20 0 FCADMP CCC[C@@H]1CN(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000501791845 546907902 /nfs/dbraw/zinc/90/79/02/546907902.db2.gz GWLCRIWKIHJRMJ-FCGDIQPGSA-N 2 1 357.539 0.889 20 0 FCADMP CCC[C@@H]1CN(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000501791845 546907908 /nfs/dbraw/zinc/90/79/08/546907908.db2.gz GWLCRIWKIHJRMJ-FCGDIQPGSA-N 2 1 357.539 0.889 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152398502 546917149 /nfs/dbraw/zinc/91/71/49/546917149.db2.gz FACIFANYASOTCA-DOTOQJQBSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152398502 546917152 /nfs/dbraw/zinc/91/71/52/546917152.db2.gz FACIFANYASOTCA-DOTOQJQBSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CN1CCOCC1 ZINC000433404345 546922354 /nfs/dbraw/zinc/92/23/54/546922354.db2.gz WOKYMDRWCLKNCE-DLBZAZTESA-N 2 1 356.511 0.755 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000433404345 546922358 /nfs/dbraw/zinc/92/23/58/546922358.db2.gz WOKYMDRWCLKNCE-DLBZAZTESA-N 2 1 356.511 0.755 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccc(F)cc1 ZINC000641801885 546959666 /nfs/dbraw/zinc/95/96/66/546959666.db2.gz GLVYZWICVJRUJM-CQDKDKBSSA-N 2 1 350.438 0.835 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881899 547072665 /nfs/dbraw/zinc/07/26/65/547072665.db2.gz BQCHTVRNWIHDMZ-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881899 547072669 /nfs/dbraw/zinc/07/26/69/547072669.db2.gz BQCHTVRNWIHDMZ-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000549922753 547074622 /nfs/dbraw/zinc/07/46/22/547074622.db2.gz FSVOMZUWPHKKFM-SFHVURJKSA-N 2 1 352.450 0.888 20 0 FCADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000550783690 547105205 /nfs/dbraw/zinc/10/52/05/547105205.db2.gz IMXCLEASQPAZDS-MRXNPFEDSA-N 2 1 370.563 0.780 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000550783690 547105209 /nfs/dbraw/zinc/10/52/09/547105209.db2.gz IMXCLEASQPAZDS-MRXNPFEDSA-N 2 1 370.563 0.780 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550838429 547110375 /nfs/dbraw/zinc/11/03/75/547110375.db2.gz HITIMYWZQRZKNN-PBHICJAKSA-N 2 1 356.536 0.340 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550902979 547113856 /nfs/dbraw/zinc/11/38/56/547113856.db2.gz XDJUWZOAJPBUQV-LSDHHAIUSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550914107 547114634 /nfs/dbraw/zinc/11/46/34/547114634.db2.gz QGOJGDXFENBIER-UHFFFAOYSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043024 547122410 /nfs/dbraw/zinc/12/24/10/547122410.db2.gz RIWVJDZGYACGPN-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000551043024 547122414 /nfs/dbraw/zinc/12/24/14/547122414.db2.gz RIWVJDZGYACGPN-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000551043024 547122417 /nfs/dbraw/zinc/12/24/17/547122417.db2.gz RIWVJDZGYACGPN-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1=O ZINC000552350496 547202553 /nfs/dbraw/zinc/20/25/53/547202553.db2.gz FCMZQSHFKUXBAQ-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000552359177 547204095 /nfs/dbraw/zinc/20/40/95/547204095.db2.gz OIBXIOOWISOTPR-XHSDSOJGSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000552359177 547204099 /nfs/dbraw/zinc/20/40/99/547204099.db2.gz OIBXIOOWISOTPR-XHSDSOJGSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000552359177 547204102 /nfs/dbraw/zinc/20/41/02/547204102.db2.gz OIBXIOOWISOTPR-XHSDSOJGSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000552769432 547231608 /nfs/dbraw/zinc/23/16/08/547231608.db2.gz DZUFHBFHVPPPLR-MYBQVCMBSA-N 2 1 350.507 0.776 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000552851870 547236182 /nfs/dbraw/zinc/23/61/82/547236182.db2.gz WFEMYIODBORULR-PBHICJAKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000553037940 547248999 /nfs/dbraw/zinc/24/89/99/547248999.db2.gz MLGIRJBDMDFTPW-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000553712395 547301821 /nfs/dbraw/zinc/30/18/21/547301821.db2.gz XBSLPQZDKCONPX-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP CC1(C)C[N@@H+](CCCN2CC[NH+](CCO)C(C)(C)C2)CCN1CCO ZINC000682036243 547393647 /nfs/dbraw/zinc/39/36/47/547393647.db2.gz MOXDWMXPCNNHOG-UHFFFAOYSA-N 2 1 356.555 0.154 20 0 FCADMP CC1(C)C[NH+](CCCN2CC[N@H+](CCO)C(C)(C)C2)CCN1CCO ZINC000682036243 547393649 /nfs/dbraw/zinc/39/36/49/547393649.db2.gz MOXDWMXPCNNHOG-UHFFFAOYSA-N 2 1 356.555 0.154 20 0 FCADMP CC1(C)C[NH+](CCCN2CC[N@@H+](CCO)C(C)(C)C2)CCN1CCO ZINC000682036243 547393653 /nfs/dbraw/zinc/39/36/53/547393653.db2.gz MOXDWMXPCNNHOG-UHFFFAOYSA-N 2 1 356.555 0.154 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)CC2)O1 ZINC000948541656 674380481 /nfs/dbraw/zinc/38/04/81/674380481.db2.gz HMMHWPPCJQTHQX-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)N(C)C)CC2)O1 ZINC000948541656 674380485 /nfs/dbraw/zinc/38/04/85/674380485.db2.gz HMMHWPPCJQTHQX-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)N(C)C)CC2)O1 ZINC000948541656 674380489 /nfs/dbraw/zinc/38/04/89/674380489.db2.gz HMMHWPPCJQTHQX-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)CC2)O1 ZINC000948541656 674380496 /nfs/dbraw/zinc/38/04/96/674380496.db2.gz HMMHWPPCJQTHQX-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000949197459 674397331 /nfs/dbraw/zinc/39/73/31/674397331.db2.gz SLJPJZHQLZUHKC-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206094 674397550 /nfs/dbraw/zinc/39/75/50/674397550.db2.gz LTFPNTAAWUBBOL-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950255329 674423441 /nfs/dbraw/zinc/42/34/41/674423441.db2.gz KYCVZRFXRSPARR-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](C[C@@H](C)O)C1 ZINC000950347231 674425079 /nfs/dbraw/zinc/42/50/79/674425079.db2.gz SUZSTYDVCDVUEA-OLMNPRSZSA-N 2 1 353.507 0.647 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000950809477 674439735 /nfs/dbraw/zinc/43/97/35/674439735.db2.gz HNKYCCHVKKTDKS-HLLBOEOZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000950809475 674439784 /nfs/dbraw/zinc/43/97/84/674439784.db2.gz HNKYCCHVKKTDKS-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000950996455 674445767 /nfs/dbraw/zinc/44/57/67/674445767.db2.gz NNHCKIPUOVYDED-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408244 674496580 /nfs/dbraw/zinc/49/65/80/674496580.db2.gz AICQFPLABIEFQE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954411792 674496772 /nfs/dbraw/zinc/49/67/72/674496772.db2.gz WHCCQJGZELRFAR-DJIMGWMZSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954411792 674496774 /nfs/dbraw/zinc/49/67/74/674496774.db2.gz WHCCQJGZELRFAR-DJIMGWMZSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954411792 674496777 /nfs/dbraw/zinc/49/67/77/674496777.db2.gz WHCCQJGZELRFAR-DJIMGWMZSA-N 2 1 350.507 0.869 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954490565 674498194 /nfs/dbraw/zinc/49/81/94/674498194.db2.gz AHMUTEZKWFQKSR-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954490565 674498195 /nfs/dbraw/zinc/49/81/95/674498195.db2.gz AHMUTEZKWFQKSR-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954490565 674498196 /nfs/dbraw/zinc/49/81/96/674498196.db2.gz AHMUTEZKWFQKSR-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000956064751 674517363 /nfs/dbraw/zinc/51/73/63/674517363.db2.gz YPBZMZCLLYXCDC-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821268441 606284669 /nfs/dbraw/zinc/28/46/69/606284669.db2.gz XFBBEKXNUIHCCD-OAHLLOKOSA-N 2 1 374.493 0.693 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000957015503 674533713 /nfs/dbraw/zinc/53/37/13/674533713.db2.gz XLXFDENEWTZKNK-IIDMSEBBSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC2)CC[NH+](CCCO)CC3)O1 ZINC000957566570 674546058 /nfs/dbraw/zinc/54/60/58/674546058.db2.gz QYWSQYUYVYPFKN-IAGOWNOFSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CC2)CC[NH+](CCCO)CC3)O1 ZINC000957566570 674546060 /nfs/dbraw/zinc/54/60/60/674546060.db2.gz QYWSQYUYVYPFKN-IAGOWNOFSA-N 2 1 353.507 0.793 20 0 FCADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(N)=O ZINC000824157172 609365323 /nfs/dbraw/zinc/36/53/23/609365323.db2.gz BTDGTSSPMMLABU-UHFFFAOYSA-N 2 1 357.462 0.932 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898114125 665801335 /nfs/dbraw/zinc/80/13/35/665801335.db2.gz WHQFWUYNPKABBI-UHFFFAOYSA-N 2 1 353.507 0.842 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000898132117 665802763 /nfs/dbraw/zinc/80/27/63/665802763.db2.gz FBIQGNXJEGXAMN-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000898132117 665802766 /nfs/dbraw/zinc/80/27/66/665802766.db2.gz FBIQGNXJEGXAMN-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230694 665933286 /nfs/dbraw/zinc/93/32/86/665933286.db2.gz PDWZPANATJLRBS-KRWDZBQOSA-N 2 1 354.539 0.877 20 0 FCADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230694 665933288 /nfs/dbraw/zinc/93/32/88/665933288.db2.gz PDWZPANATJLRBS-KRWDZBQOSA-N 2 1 354.539 0.877 20 0 FCADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230694 665933290 /nfs/dbraw/zinc/93/32/90/665933290.db2.gz PDWZPANATJLRBS-KRWDZBQOSA-N 2 1 354.539 0.877 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCC2CCOCC2)C1 ZINC000969959464 663211260 /nfs/dbraw/zinc/21/12/60/663211260.db2.gz TYJYJHVDECVYNC-IIDMSEBBSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCC2CCOCC2)C1 ZINC000969959464 663211261 /nfs/dbraw/zinc/21/12/61/663211261.db2.gz TYJYJHVDECVYNC-IIDMSEBBSA-N 2 1 353.507 0.959 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891339471 663352034 /nfs/dbraw/zinc/35/20/34/663352034.db2.gz BUAXIECJFLEAPP-OCCSQVGLSA-N 2 1 365.444 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000971566184 663397888 /nfs/dbraw/zinc/39/78/88/663397888.db2.gz BHJSXJJNAHENGF-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000971566184 663397891 /nfs/dbraw/zinc/39/78/91/663397891.db2.gz BHJSXJJNAHENGF-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC000971566184 663397894 /nfs/dbraw/zinc/39/78/94/663397894.db2.gz BHJSXJJNAHENGF-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC000971566184 663397898 /nfs/dbraw/zinc/39/78/98/663397898.db2.gz BHJSXJJNAHENGF-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000971566183 663397920 /nfs/dbraw/zinc/39/79/20/663397920.db2.gz BHJSXJJNAHENGF-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000971566183 663397924 /nfs/dbraw/zinc/39/79/24/663397924.db2.gz BHJSXJJNAHENGF-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC000971566183 663397927 /nfs/dbraw/zinc/39/79/27/663397927.db2.gz BHJSXJJNAHENGF-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC000971566183 663397930 /nfs/dbraw/zinc/39/79/30/663397930.db2.gz BHJSXJJNAHENGF-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000971566818 663398059 /nfs/dbraw/zinc/39/80/59/663398059.db2.gz JOKZTCANFZANFK-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC000971566818 663398063 /nfs/dbraw/zinc/39/80/63/663398063.db2.gz JOKZTCANFZANFK-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC000971566818 663398069 /nfs/dbraw/zinc/39/80/69/663398069.db2.gz JOKZTCANFZANFK-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022103942 663404688 /nfs/dbraw/zinc/40/46/88/663404688.db2.gz OYVIVJCMUDQTNN-APIJFGDWSA-N 2 1 352.504 0.795 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001022107035 663405194 /nfs/dbraw/zinc/40/51/94/663405194.db2.gz PEZOXCMUUHQHEZ-RFQIPJPRSA-N 2 1 351.451 0.683 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001022107035 663405195 /nfs/dbraw/zinc/40/51/95/663405195.db2.gz PEZOXCMUUHQHEZ-RFQIPJPRSA-N 2 1 351.451 0.683 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)CC[N@H+]1C ZINC001022109708 663405816 /nfs/dbraw/zinc/40/58/16/663405816.db2.gz RPDUTZCDZZZPRW-BQJWPVKWSA-N 2 1 350.507 0.963 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891480311 663408798 /nfs/dbraw/zinc/40/87/98/663408798.db2.gz AYIJSFKKDOZBOY-MPGHIAIKSA-N 2 1 351.495 0.513 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891481817 663408870 /nfs/dbraw/zinc/40/88/70/663408870.db2.gz HKKQWOUBTBVXAE-HNNXBMFYSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526613 663411932 /nfs/dbraw/zinc/41/19/32/663411932.db2.gz COATYSNNDQFSJL-HZPDHXFCSA-N 2 1 353.511 0.080 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891579966 663416886 /nfs/dbraw/zinc/41/68/86/663416886.db2.gz QIPVBOLLZGCQTM-KGLIPLIRSA-N 2 1 365.444 0.793 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022355929 663439658 /nfs/dbraw/zinc/43/96/58/663439658.db2.gz SZCIBUZWQAKDCR-HZMVEIRTSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC000891953941 663454928 /nfs/dbraw/zinc/45/49/28/663454928.db2.gz SJQNKLZNZIHTFW-DOTOQJQBSA-N 2 1 352.479 0.119 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891973723 663460041 /nfs/dbraw/zinc/46/00/41/663460041.db2.gz XIWYTDBDHCTDGO-SJORKVTESA-N 2 1 353.511 0.224 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892089009 663475024 /nfs/dbraw/zinc/47/50/24/663475024.db2.gz NYDDZCXDKPVFRR-ZACQAIPSSA-N 2 1 353.511 0.352 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@H]21 ZINC000892107639 663476988 /nfs/dbraw/zinc/47/69/88/663476988.db2.gz LVPVYQIDIBQSBH-MCIONIFRSA-N 2 1 363.428 0.558 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000892263404 663508663 /nfs/dbraw/zinc/50/86/63/663508663.db2.gz OXZRJCILNYHNOJ-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)CN1CC[NH+](C)CC1 ZINC000924489527 663610934 /nfs/dbraw/zinc/61/09/34/663610934.db2.gz ALFXVJXTAFYNCS-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001023377659 663620332 /nfs/dbraw/zinc/62/03/32/663620332.db2.gz SNWCVMPCTNHSSG-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001023377659 663620333 /nfs/dbraw/zinc/62/03/33/663620333.db2.gz SNWCVMPCTNHSSG-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001023377659 663620334 /nfs/dbraw/zinc/62/03/34/663620334.db2.gz SNWCVMPCTNHSSG-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023377989 663620344 /nfs/dbraw/zinc/62/03/44/663620344.db2.gz ZMTVQHFELLAWRI-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023377989 663620345 /nfs/dbraw/zinc/62/03/45/663620345.db2.gz ZMTVQHFELLAWRI-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023377989 663620346 /nfs/dbraw/zinc/62/03/46/663620346.db2.gz ZMTVQHFELLAWRI-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP Cc1nnc(CN2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023452412 663628353 /nfs/dbraw/zinc/62/83/53/663628353.db2.gz ZLQLAAVSXCGEHY-BPLDGKMQSA-N 2 1 351.451 0.425 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000892651524 664059238 /nfs/dbraw/zinc/05/92/38/664059238.db2.gz ZLLQHGCBUOYTJY-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892651524 664059239 /nfs/dbraw/zinc/05/92/39/664059239.db2.gz ZLLQHGCBUOYTJY-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892651524 664059241 /nfs/dbraw/zinc/05/92/41/664059241.db2.gz ZLLQHGCBUOYTJY-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973267745 664091878 /nfs/dbraw/zinc/09/18/78/664091878.db2.gz CPLWEYHJMTZEPW-HHARLNAUSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973267745 664091880 /nfs/dbraw/zinc/09/18/80/664091880.db2.gz CPLWEYHJMTZEPW-HHARLNAUSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973267745 664091884 /nfs/dbraw/zinc/09/18/84/664091884.db2.gz CPLWEYHJMTZEPW-HHARLNAUSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892758601 664137534 /nfs/dbraw/zinc/13/75/34/664137534.db2.gz GEUDOPIPMHXAAL-LSDHHAIUSA-N 2 1 354.495 0.290 20 0 FCADMP CC1(C)CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CCO ZINC000892761982 664138118 /nfs/dbraw/zinc/13/81/18/664138118.db2.gz DTKNQFOXNKZSJH-OAHLLOKOSA-N 2 1 354.495 0.243 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000893238706 664218675 /nfs/dbraw/zinc/21/86/75/664218675.db2.gz OZYQMCBBABELMU-MRXNPFEDSA-N 2 1 355.527 0.016 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000974189069 664226834 /nfs/dbraw/zinc/22/68/34/664226834.db2.gz CFSWRJCMZODDFC-UHDSXZAQSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000974189069 664226837 /nfs/dbraw/zinc/22/68/37/664226837.db2.gz CFSWRJCMZODDFC-UHDSXZAQSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000974189069 664226839 /nfs/dbraw/zinc/22/68/39/664226839.db2.gz CFSWRJCMZODDFC-UHDSXZAQSA-N 2 1 350.507 0.822 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)CC1 ZINC000978175636 664432703 /nfs/dbraw/zinc/43/27/03/664432703.db2.gz HEOHMCFAPDULBK-DZVNLGKHSA-N 2 1 353.482 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000978879434 664449018 /nfs/dbraw/zinc/44/90/18/664449018.db2.gz CYQOBILPLJICCU-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000978879434 664449019 /nfs/dbraw/zinc/44/90/19/664449019.db2.gz CYQOBILPLJICCU-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000978879434 664449021 /nfs/dbraw/zinc/44/90/21/664449021.db2.gz CYQOBILPLJICCU-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000980018600 664468983 /nfs/dbraw/zinc/46/89/83/664468983.db2.gz UHNWKRNLOXMNCP-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000980018600 664468984 /nfs/dbraw/zinc/46/89/84/664468984.db2.gz UHNWKRNLOXMNCP-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000980018600 664468985 /nfs/dbraw/zinc/46/89/85/664468985.db2.gz UHNWKRNLOXMNCP-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699246 664860220 /nfs/dbraw/zinc/86/02/20/664860220.db2.gz IQYAXKGPHBLVRL-IRXDYDNUSA-N 2 1 354.495 0.386 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@]2(C)C1 ZINC000893739848 664873023 /nfs/dbraw/zinc/87/30/23/664873023.db2.gz AUELXQJDRATZJX-MYZZLAAOSA-N 2 1 350.507 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001028551012 664901734 /nfs/dbraw/zinc/90/17/34/664901734.db2.gz XJEBVSMREWJLAD-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001028551012 664901736 /nfs/dbraw/zinc/90/17/36/664901736.db2.gz XJEBVSMREWJLAD-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001028551012 664901737 /nfs/dbraw/zinc/90/17/37/664901737.db2.gz XJEBVSMREWJLAD-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001028551390 664901910 /nfs/dbraw/zinc/90/19/10/664901910.db2.gz OAAOBJJGEDFZCQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001028551390 664901912 /nfs/dbraw/zinc/90/19/12/664901912.db2.gz OAAOBJJGEDFZCQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001028551390 664901914 /nfs/dbraw/zinc/90/19/14/664901914.db2.gz OAAOBJJGEDFZCQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nc(C)c(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028629976 664931127 /nfs/dbraw/zinc/93/11/27/664931127.db2.gz VNHYEENKWCOQPO-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028629976 664931129 /nfs/dbraw/zinc/93/11/29/664931129.db2.gz VNHYEENKWCOQPO-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028629976 664931130 /nfs/dbraw/zinc/93/11/30/664931130.db2.gz VNHYEENKWCOQPO-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028629976 664931132 /nfs/dbraw/zinc/93/11/32/664931132.db2.gz VNHYEENKWCOQPO-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP COCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000983704156 664984981 /nfs/dbraw/zinc/98/49/81/664984981.db2.gz IRXQNNZRIMLWEQ-AAVRWANBSA-N 2 1 351.451 0.541 20 0 FCADMP COCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000983704156 664984982 /nfs/dbraw/zinc/98/49/82/664984982.db2.gz IRXQNNZRIMLWEQ-AAVRWANBSA-N 2 1 351.451 0.541 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000983962239 665009777 /nfs/dbraw/zinc/00/97/77/665009777.db2.gz AMZNEBAOFZBLSP-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000983962239 665009781 /nfs/dbraw/zinc/00/97/81/665009781.db2.gz AMZNEBAOFZBLSP-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000983962239 665009783 /nfs/dbraw/zinc/00/97/83/665009783.db2.gz AMZNEBAOFZBLSP-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC000984013544 665013536 /nfs/dbraw/zinc/01/35/36/665013536.db2.gz JDKCULTZFNUJMQ-KJWHEZOQSA-N 2 1 350.467 0.080 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC000984013544 665013539 /nfs/dbraw/zinc/01/35/39/665013539.db2.gz JDKCULTZFNUJMQ-KJWHEZOQSA-N 2 1 350.467 0.080 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895456454 665045055 /nfs/dbraw/zinc/04/50/55/665045055.db2.gz DVEYJVXTDAQTBG-KRWDZBQOSA-N 2 1 351.491 0.858 20 0 FCADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000895668780 665054651 /nfs/dbraw/zinc/05/46/51/665054651.db2.gz RAQOGVCJDSWGSU-SFHVURJKSA-N 2 1 351.491 0.811 20 0 FCADMP COCCS(=O)(=O)CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000727829777 665073276 /nfs/dbraw/zinc/07/32/76/665073276.db2.gz NGOJJYYDSRGNDR-UHFFFAOYSA-N 2 1 362.536 0.872 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000896661713 665101939 /nfs/dbraw/zinc/10/19/39/665101939.db2.gz GLMCNYUOZCYTNM-CQSZACIVSA-N 2 1 350.467 0.372 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cn1 ZINC000896661713 665101940 /nfs/dbraw/zinc/10/19/40/665101940.db2.gz GLMCNYUOZCYTNM-CQSZACIVSA-N 2 1 350.467 0.372 20 0 FCADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897007310 665140193 /nfs/dbraw/zinc/14/01/93/665140193.db2.gz XKEITSGSMIPMNL-ROUUACIJSA-N 2 1 351.491 0.857 20 0 FCADMP CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000985829003 665195277 /nfs/dbraw/zinc/19/52/77/665195277.db2.gz KGWHKUFGNRRAIS-HZPDHXFCSA-N 2 1 351.495 0.228 20 0 FCADMP CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000985829003 665195278 /nfs/dbraw/zinc/19/52/78/665195278.db2.gz KGWHKUFGNRRAIS-HZPDHXFCSA-N 2 1 351.495 0.228 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000988099849 665275452 /nfs/dbraw/zinc/27/54/52/665275452.db2.gz XQLALKRUDPKLGX-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)CC2)nc(C)[nH+]1 ZINC000905154274 666006974 /nfs/dbraw/zinc/00/69/74/666006974.db2.gz IVFCBAQBXXNYLO-WMZOPIPTSA-N 2 1 350.463 0.554 20 0 FCADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000906412090 666052859 /nfs/dbraw/zinc/05/28/59/666052859.db2.gz RTZBCDFYKAGOFZ-NUJGCVRESA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000906412090 666052863 /nfs/dbraw/zinc/05/28/63/666052863.db2.gz RTZBCDFYKAGOFZ-NUJGCVRESA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000906412090 666052865 /nfs/dbraw/zinc/05/28/65/666052865.db2.gz RTZBCDFYKAGOFZ-NUJGCVRESA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000906713704 666063336 /nfs/dbraw/zinc/06/33/36/666063336.db2.gz FMULTXCTFALKDC-QGZVFWFLSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000908186923 666191663 /nfs/dbraw/zinc/19/16/63/666191663.db2.gz YLVMIRUOTJRCSV-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000908186922 666191791 /nfs/dbraw/zinc/19/17/91/666191791.db2.gz YLVMIRUOTJRCSV-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911027959 666303845 /nfs/dbraw/zinc/30/38/45/666303845.db2.gz GECSJXAQINVJIS-BPKGMFCQSA-N 2 1 350.507 0.537 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911034506 666307416 /nfs/dbraw/zinc/30/74/16/666307416.db2.gz OJSIUGKVGJLSJY-QKPAOTATSA-N 2 1 354.495 0.045 20 0 FCADMP C[NH+](C)CCNC(=S)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000044133369 666364865 /nfs/dbraw/zinc/36/48/65/666364865.db2.gz JUHPTDYRMVGKHG-UHFFFAOYSA-N 2 1 353.511 0.973 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564713 666367261 /nfs/dbraw/zinc/36/72/61/666367261.db2.gz VJHMLCHONBTYGD-IAGOWNOFSA-N 2 1 350.507 0.825 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911694089 666371231 /nfs/dbraw/zinc/37/12/31/666371231.db2.gz SJZFITDXDJPDCR-AWEZNQCLSA-N 2 1 371.279 0.479 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](O)C[C@@]3(C)CO)CC2)CC1 ZINC000912658026 666465467 /nfs/dbraw/zinc/46/54/67/666465467.db2.gz NILFYIWEUIMKEO-HKUYNNGSSA-N 2 1 353.507 0.527 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939490276 666516929 /nfs/dbraw/zinc/51/69/29/666516929.db2.gz IATHJFLOUOREBX-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940288557 666544710 /nfs/dbraw/zinc/54/47/10/666544710.db2.gz UQFJUMUHMDIVGJ-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC000940288557 666544712 /nfs/dbraw/zinc/54/47/12/666544712.db2.gz UQFJUMUHMDIVGJ-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC000940288557 666544719 /nfs/dbraw/zinc/54/47/19/666544719.db2.gz UQFJUMUHMDIVGJ-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000940407616 666549267 /nfs/dbraw/zinc/54/92/67/666549267.db2.gz FWGIAANVROUITJ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000940755500 666561104 /nfs/dbraw/zinc/56/11/04/666561104.db2.gz AACLOGXFGXLVDP-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000941276553 666604346 /nfs/dbraw/zinc/60/43/46/666604346.db2.gz XSPGHLMEKQMOSC-FPCVCCKLSA-N 2 1 354.495 0.009 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000941276553 666604348 /nfs/dbraw/zinc/60/43/48/666604348.db2.gz XSPGHLMEKQMOSC-FPCVCCKLSA-N 2 1 354.495 0.009 20 0 FCADMP CC[C@H](CN1CCOCC1)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920019 666668181 /nfs/dbraw/zinc/66/81/81/666668181.db2.gz FMRGRPUIHKFSSL-SJORKVTESA-N 2 1 356.511 0.753 20 0 FCADMP CC[C@H](CN1CCOCC1)NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000913920019 666668182 /nfs/dbraw/zinc/66/81/82/666668182.db2.gz FMRGRPUIHKFSSL-SJORKVTESA-N 2 1 356.511 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995827637 666891807 /nfs/dbraw/zinc/89/18/07/666891807.db2.gz AIVLIDVFNDHBSS-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)O1 ZINC000995956931 666897243 /nfs/dbraw/zinc/89/72/43/666897243.db2.gz IOQYTUHZICQAMX-OIISXLGYSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)O1 ZINC000995956931 666897245 /nfs/dbraw/zinc/89/72/45/666897245.db2.gz IOQYTUHZICQAMX-OIISXLGYSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993844622 666943471 /nfs/dbraw/zinc/94/34/71/666943471.db2.gz UJRXDYBWGUWWTB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734269296 666959727 /nfs/dbraw/zinc/95/97/27/666959727.db2.gz CKALOQHYGCVWLI-KRWDZBQOSA-N 2 1 356.511 0.897 20 0 FCADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)sn1 ZINC000996710411 666961805 /nfs/dbraw/zinc/96/18/05/666961805.db2.gz DJCODQVMQMTBTD-IUODEOHRSA-N 2 1 368.503 0.951 20 0 FCADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)sn1 ZINC000996710411 666961807 /nfs/dbraw/zinc/96/18/07/666961807.db2.gz DJCODQVMQMTBTD-IUODEOHRSA-N 2 1 368.503 0.951 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000923598546 667001339 /nfs/dbraw/zinc/00/13/39/667001339.db2.gz VTUVIHWTMUAICO-OAHLLOKOSA-N 2 1 368.503 0.147 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000923598546 667001341 /nfs/dbraw/zinc/00/13/41/667001341.db2.gz VTUVIHWTMUAICO-OAHLLOKOSA-N 2 1 368.503 0.147 20 0 FCADMP CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000997792659 667176589 /nfs/dbraw/zinc/17/65/89/667176589.db2.gz JJHUTIJUFADYKE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)O1 ZINC000998983482 667224967 /nfs/dbraw/zinc/22/49/67/667224967.db2.gz MFZHBGLRMGGVNU-UWLZSVRSSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)O1 ZINC000998983482 667224971 /nfs/dbraw/zinc/22/49/71/667224971.db2.gz MFZHBGLRMGGVNU-UWLZSVRSSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000999494974 667242212 /nfs/dbraw/zinc/24/22/12/667242212.db2.gz KGFIVJQUZAGNQK-VNQPRFMTSA-N 2 1 369.897 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000999494974 667242215 /nfs/dbraw/zinc/24/22/15/667242215.db2.gz KGFIVJQUZAGNQK-VNQPRFMTSA-N 2 1 369.897 0.836 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC001002263159 667527721 /nfs/dbraw/zinc/52/77/21/667527721.db2.gz JCVNVJARGMZDNM-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC001002263159 667527725 /nfs/dbraw/zinc/52/77/25/667527725.db2.gz JCVNVJARGMZDNM-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC001002263159 667527727 /nfs/dbraw/zinc/52/77/27/667527727.db2.gz JCVNVJARGMZDNM-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)CC[N@H+]1C ZINC001002851522 667571096 /nfs/dbraw/zinc/57/10/96/667571096.db2.gz JGYOLGCJEMEIIN-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)CC1 ZINC000755777541 667648049 /nfs/dbraw/zinc/64/80/49/667648049.db2.gz HIQRQTLLLZLAON-HNNXBMFYSA-N 2 1 350.463 0.709 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001033095361 667670835 /nfs/dbraw/zinc/67/08/35/667670835.db2.gz XXHPLMNTYNNILA-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001033095361 667670838 /nfs/dbraw/zinc/67/08/38/667670838.db2.gz XXHPLMNTYNNILA-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001033095361 667670841 /nfs/dbraw/zinc/67/08/41/667670841.db2.gz XXHPLMNTYNNILA-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001033095361 667670843 /nfs/dbraw/zinc/67/08/43/667670843.db2.gz XXHPLMNTYNNILA-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001034214680 667749172 /nfs/dbraw/zinc/74/91/72/667749172.db2.gz OVLLMQFNLTXZND-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001034214680 667749178 /nfs/dbraw/zinc/74/91/78/667749178.db2.gz OVLLMQFNLTXZND-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001034214680 667749184 /nfs/dbraw/zinc/74/91/84/667749184.db2.gz OVLLMQFNLTXZND-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001034214680 667749189 /nfs/dbraw/zinc/74/91/89/667749189.db2.gz OVLLMQFNLTXZND-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001034570512 667761290 /nfs/dbraw/zinc/76/12/90/667761290.db2.gz LULUJCQCSGONMO-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001034647847 667762110 /nfs/dbraw/zinc/76/21/10/667762110.db2.gz QFNBDNKMSFQSML-WRQOLXDDSA-N 2 1 371.547 0.778 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC001034674620 667763857 /nfs/dbraw/zinc/76/38/57/667763857.db2.gz LADGZYUCUSSWRR-DGXTUMSLSA-N 2 1 352.479 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC001034674620 667763858 /nfs/dbraw/zinc/76/38/58/667763858.db2.gz LADGZYUCUSSWRR-DGXTUMSLSA-N 2 1 352.479 0.001 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035708992 667789830 /nfs/dbraw/zinc/78/98/30/667789830.db2.gz OISJKYCPNUDFCE-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035708992 667789834 /nfs/dbraw/zinc/78/98/34/667789834.db2.gz OISJKYCPNUDFCE-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280900 667821960 /nfs/dbraw/zinc/82/19/60/667821960.db2.gz LSBBLQAYQBPYFW-ZFWWWQNUSA-N 2 1 355.866 0.867 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331869 667826431 /nfs/dbraw/zinc/82/64/31/667826431.db2.gz PDPJTTYEYJOFPZ-GDBMZVCRSA-N 2 1 359.536 0.673 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331869 667826434 /nfs/dbraw/zinc/82/64/34/667826434.db2.gz PDPJTTYEYJOFPZ-GDBMZVCRSA-N 2 1 359.536 0.673 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923346259 667827301 /nfs/dbraw/zinc/82/73/01/667827301.db2.gz QOXQYDFIJSRMJT-JKSUJKDBSA-N 2 1 353.438 0.885 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923490969 667840859 /nfs/dbraw/zinc/84/08/59/667840859.db2.gz GMDWZAJRISVQSU-ZDUSSCGKSA-N 2 1 354.476 0.546 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000739020056 667935324 /nfs/dbraw/zinc/93/53/24/667935324.db2.gz CFADZUQVDTXQIJ-IRXDYDNUSA-N 2 1 354.495 0.650 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000763034718 667941321 /nfs/dbraw/zinc/94/13/21/667941321.db2.gz YYUVLOHRBRKZLH-GJZGRUSLSA-N 2 1 352.483 0.206 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608583 668038393 /nfs/dbraw/zinc/03/83/93/668038393.db2.gz FTQZBEZSWZSHJP-STQMWFEESA-N 2 1 355.508 0.417 20 0 FCADMP NC(=O)[C@@H]1CSCC[NH+]1CCCCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000767120046 668045955 /nfs/dbraw/zinc/04/59/55/668045955.db2.gz QXKFEQKHHFAXBE-KBPBESRZSA-N 2 1 374.576 0.352 20 0 FCADMP NC(=O)[C@@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000767120046 668045956 /nfs/dbraw/zinc/04/59/56/668045956.db2.gz QXKFEQKHHFAXBE-KBPBESRZSA-N 2 1 374.576 0.352 20 0 FCADMP COCCOC[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365110 668875299 /nfs/dbraw/zinc/87/52/99/668875299.db2.gz HMRHADZHYUJIFW-MAUKXSAKSA-N 2 1 353.463 0.845 20 0 FCADMP COCCOC[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365110 668875300 /nfs/dbraw/zinc/87/53/00/668875300.db2.gz HMRHADZHYUJIFW-MAUKXSAKSA-N 2 1 353.463 0.845 20 0 FCADMP CCOCC[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790363573 668875383 /nfs/dbraw/zinc/87/53/83/668875383.db2.gz UTPZZVLNLGYRBE-GOSISDBHSA-N 2 1 352.479 0.515 20 0 FCADMP CC(=O)N1CC[C@H](C[N@@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376012 668875838 /nfs/dbraw/zinc/87/58/38/668875838.db2.gz UMPDNGZRESSADW-CRAIPNDOSA-N 2 1 350.463 0.661 20 0 FCADMP CC(=O)N1CC[C@H](C[N@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376012 668875840 /nfs/dbraw/zinc/87/58/40/668875840.db2.gz UMPDNGZRESSADW-CRAIPNDOSA-N 2 1 350.463 0.661 20 0 FCADMP Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000818969320 668966830 /nfs/dbraw/zinc/96/68/30/668966830.db2.gz CSUYLLCANSXOTG-JSGCOSHPSA-N 2 1 350.385 0.605 20 0 FCADMP Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000818969320 668966833 /nfs/dbraw/zinc/96/68/33/668966833.db2.gz CSUYLLCANSXOTG-JSGCOSHPSA-N 2 1 350.385 0.605 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819055188 668974780 /nfs/dbraw/zinc/97/47/80/668974780.db2.gz PQUQJRMURYQSIZ-CYBMUJFWSA-N 2 1 373.441 0.593 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819055188 668974783 /nfs/dbraw/zinc/97/47/83/668974783.db2.gz PQUQJRMURYQSIZ-CYBMUJFWSA-N 2 1 373.441 0.593 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000819214688 668988628 /nfs/dbraw/zinc/98/86/28/668988628.db2.gz FFHGLYGZHRTPDR-QZTJIDSGSA-N 2 1 350.459 0.991 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064829 669360878 /nfs/dbraw/zinc/36/08/78/669360878.db2.gz YVCNIWXTPVGSIR-KKUMJFAQSA-N 2 1 354.495 0.058 20 0 FCADMP CSC1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+](C)CC1 ZINC000811876807 669777248 /nfs/dbraw/zinc/77/72/48/669777248.db2.gz ZZVZHYXGRGVGRM-LSDHHAIUSA-N 2 1 356.536 0.976 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000964929261 675076901 /nfs/dbraw/zinc/07/69/01/675076901.db2.gz YWDPFWCBDVQFNF-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)NC(=O)N[C@@H]1C ZINC000818340515 670097533 /nfs/dbraw/zinc/09/75/33/670097533.db2.gz OMMNWSINEIUVBA-QWHCGFSZSA-N 2 1 350.463 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000965971961 675115564 /nfs/dbraw/zinc/11/55/64/675115564.db2.gz PXLXTQBFVRLKSQ-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000965971961 675115565 /nfs/dbraw/zinc/11/55/65/675115565.db2.gz PXLXTQBFVRLKSQ-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000965971961 675115566 /nfs/dbraw/zinc/11/55/66/675115566.db2.gz PXLXTQBFVRLKSQ-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=S)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000840844440 670521496 /nfs/dbraw/zinc/52/14/96/670521496.db2.gz SBDBXHSCTPHEAF-UHFFFAOYSA-N 2 1 372.579 0.920 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261331 670789579 /nfs/dbraw/zinc/78/95/79/670789579.db2.gz IOBUPLUHFGCABU-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CC[NH2+]CC1 ZINC000843347882 670802281 /nfs/dbraw/zinc/80/22/81/670802281.db2.gz XZSMXTVVPCMNGP-UHFFFAOYSA-N 2 1 351.451 0.346 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC(OCCC[NH3+])CC2)NC(=O)N[C@H]1C ZINC000843355165 670804672 /nfs/dbraw/zinc/80/46/72/670804672.db2.gz DCYIYFBDWHSPFM-LBPRGKRZSA-N 2 1 354.451 0.335 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000843388943 670811538 /nfs/dbraw/zinc/81/15/38/670811538.db2.gz YUAFYJQDBWLEHK-HOTGVXAUSA-N 2 1 352.479 0.609 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000845946381 671055282 /nfs/dbraw/zinc/05/52/82/671055282.db2.gz KMCOQYBOEQTPIL-GUYCJALGSA-N 2 1 358.483 0.014 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000968010168 675177712 /nfs/dbraw/zinc/17/77/12/675177712.db2.gz NOHDSACYCHJNOM-RHSMWYFYSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncs4)C[C@@H]3C2)O1 ZINC001048890030 675906131 /nfs/dbraw/zinc/90/61/31/675906131.db2.gz DMWALBWWKROFAT-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncs4)C[C@@H]3C2)O1 ZINC001048890030 675906132 /nfs/dbraw/zinc/90/61/32/675906132.db2.gz DMWALBWWKROFAT-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]3C2)O1 ZINC001048890030 675906134 /nfs/dbraw/zinc/90/61/34/675906134.db2.gz DMWALBWWKROFAT-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]3C2)O1 ZINC001048890030 675906136 /nfs/dbraw/zinc/90/61/36/675906136.db2.gz DMWALBWWKROFAT-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892011 675906221 /nfs/dbraw/zinc/90/62/21/675906221.db2.gz ZEPHGFZNWGKDKR-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892011 675906224 /nfs/dbraw/zinc/90/62/24/675906224.db2.gz ZEPHGFZNWGKDKR-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892011 675906225 /nfs/dbraw/zinc/90/62/25/675906225.db2.gz ZEPHGFZNWGKDKR-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892011 675906227 /nfs/dbraw/zinc/90/62/27/675906227.db2.gz ZEPHGFZNWGKDKR-UYTYNIKBSA-N 2 1 351.491 0.665 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000852746082 671523116 /nfs/dbraw/zinc/52/31/16/671523116.db2.gz DNBQXFBGTPDWGZ-YHUYYLMFSA-N 2 1 352.479 0.735 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC001049483531 675950567 /nfs/dbraw/zinc/95/05/67/675950567.db2.gz YITVSDGBAXFMAC-YVSFHVDLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483531 675950569 /nfs/dbraw/zinc/95/05/69/675950569.db2.gz YITVSDGBAXFMAC-YVSFHVDLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483531 675950570 /nfs/dbraw/zinc/95/05/70/675950570.db2.gz YITVSDGBAXFMAC-YVSFHVDLSA-N 2 1 350.507 0.870 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729606 675964485 /nfs/dbraw/zinc/96/44/85/675964485.db2.gz PHSGGGWDQPRDBQ-SJORKVTESA-N 2 1 351.491 0.858 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729603 675964597 /nfs/dbraw/zinc/96/45/97/675964597.db2.gz PHSGGGWDQPRDBQ-DLBZAZTESA-N 2 1 351.491 0.858 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937425 672088572 /nfs/dbraw/zinc/08/85/72/672088572.db2.gz FXYCTTIXTCMBOP-JKIFEVAISA-N 2 1 352.458 0.804 20 0 FCADMP CC(C)(C)SCC(=O)NCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000864624061 672202359 /nfs/dbraw/zinc/20/23/59/672202359.db2.gz AQLDSOWRKMKXJT-UHFFFAOYSA-N 2 1 368.551 0.892 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)CC[N@@H+]1C ZINC001053260933 675992740 /nfs/dbraw/zinc/99/27/40/675992740.db2.gz NQRQJNVUNZFXLY-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)CC[N@H+]1C ZINC001053260933 675992741 /nfs/dbraw/zinc/99/27/41/675992741.db2.gz NQRQJNVUNZFXLY-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055505065 676021612 /nfs/dbraw/zinc/02/16/12/676021612.db2.gz DBCGHIPLFPKPAX-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CS(=O)(=O)CCOCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872204545 672605560 /nfs/dbraw/zinc/60/55/60/672605560.db2.gz WYIWKVVIKJRLFS-QGZVFWFLSA-N 2 1 356.488 0.274 20 0 FCADMP CS(=O)(=O)CCOCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872204545 672605563 /nfs/dbraw/zinc/60/55/63/672605563.db2.gz WYIWKVVIKJRLFS-QGZVFWFLSA-N 2 1 356.488 0.274 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001000702071 676059419 /nfs/dbraw/zinc/05/94/19/676059419.db2.gz PIAPMNSOZONLOH-HYVNUMGLSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001000702071 676059421 /nfs/dbraw/zinc/05/94/21/676059421.db2.gz PIAPMNSOZONLOH-HYVNUMGLSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC001000702071 676059422 /nfs/dbraw/zinc/05/94/22/676059422.db2.gz PIAPMNSOZONLOH-HYVNUMGLSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC001000702071 676059426 /nfs/dbraw/zinc/05/94/26/676059426.db2.gz PIAPMNSOZONLOH-HYVNUMGLSA-N 2 1 369.531 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001001423556 676071470 /nfs/dbraw/zinc/07/14/70/676071470.db2.gz DGVNXTJXVUGOSK-GVDBMIGSSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001421439 676071570 /nfs/dbraw/zinc/07/15/70/676071570.db2.gz YARQBSPAWKHXGU-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051621708 676106370 /nfs/dbraw/zinc/10/63/70/676106370.db2.gz BIBLYAXFHBMITC-FVQBIDKESA-N 2 1 350.463 0.949 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680678 676108370 /nfs/dbraw/zinc/10/83/70/676108370.db2.gz PRQFDMMFEQBHLQ-DAXOMENPSA-N 2 1 352.435 0.019 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680678 676108371 /nfs/dbraw/zinc/10/83/71/676108371.db2.gz PRQFDMMFEQBHLQ-DAXOMENPSA-N 2 1 352.435 0.019 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000880129467 673174881 /nfs/dbraw/zinc/17/48/81/673174881.db2.gz JOLSJESDQSAUMT-FGTMMUONSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000880129467 673174887 /nfs/dbraw/zinc/17/48/87/673174887.db2.gz JOLSJESDQSAUMT-FGTMMUONSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000880129467 673174895 /nfs/dbraw/zinc/17/48/95/673174895.db2.gz JOLSJESDQSAUMT-FGTMMUONSA-N 2 1 352.523 0.628 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(Cl)n3C)C2)CC[N@@H+]1C ZINC001051624569 676107245 /nfs/dbraw/zinc/10/72/45/676107245.db2.gz RORGAXOXLOWKHY-HZSPNIEDSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(Cl)n3C)C2)CC[N@H+]1C ZINC001051624569 676107247 /nfs/dbraw/zinc/10/72/47/676107247.db2.gz RORGAXOXLOWKHY-HZSPNIEDSA-N 2 1 369.897 0.731 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882617355 673324641 /nfs/dbraw/zinc/32/46/41/673324641.db2.gz WVWDQVWVRJQKBY-UHFFFAOYSA-N 2 1 360.524 0.074 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883457898 673376493 /nfs/dbraw/zinc/37/64/93/673376493.db2.gz RBVDKSWRJIXYDV-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000884576626 673463586 /nfs/dbraw/zinc/46/35/86/673463586.db2.gz MBIOQVFPEKGLOQ-OLZOCXBDSA-N 2 1 374.457 0.828 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884587420 673464137 /nfs/dbraw/zinc/46/41/37/673464137.db2.gz IJSYQKKFPFPJAG-GOSISDBHSA-N 2 1 356.511 0.294 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884616926 673466275 /nfs/dbraw/zinc/46/62/75/673466275.db2.gz FENKXIMUXJPGQV-QFBILLFUSA-N 2 1 350.507 0.969 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884616691 673466302 /nfs/dbraw/zinc/46/63/02/673466302.db2.gz ANCRCQIMWLUTAE-LBPRGKRZSA-N 2 1 365.503 0.477 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1=CC[N@@H+](C)CC1 ZINC000884623718 673466937 /nfs/dbraw/zinc/46/69/37/673466937.db2.gz MLRZNMMQSPMKCH-LLVKDONJSA-N 2 1 363.487 0.253 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664148 673470712 /nfs/dbraw/zinc/47/07/12/673470712.db2.gz DTMWVWBOIIYRPX-STQMWFEESA-N 2 1 360.449 0.584 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000884669666 673471321 /nfs/dbraw/zinc/47/13/21/673471321.db2.gz CJWJDGUGFJSPDJ-AAEUAGOBSA-N 2 1 363.487 0.230 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000885007860 673497282 /nfs/dbraw/zinc/49/72/82/673497282.db2.gz LVFPYDIBXQSBST-KSWRQPAISA-N 2 1 350.507 0.964 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009275 673497633 /nfs/dbraw/zinc/49/76/33/673497633.db2.gz OWPSPOSFUWQWBE-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000885008923 673497640 /nfs/dbraw/zinc/49/76/40/673497640.db2.gz UIFDKKUBVRKNHR-NQNKBUKLSA-N 2 1 350.507 0.822 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885291524 673513029 /nfs/dbraw/zinc/51/30/29/673513029.db2.gz OVDSATPWGKQNOE-UONOGXRCSA-N 2 1 360.449 0.680 20 0 FCADMP COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000887303284 673626954 /nfs/dbraw/zinc/62/69/54/673626954.db2.gz PGFRFMMGQCGBKZ-DEYYWGMASA-N 2 1 351.447 0.341 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000887607192 673635297 /nfs/dbraw/zinc/63/52/97/673635297.db2.gz YJLBNOGETRGJGO-ZIAGYGMSSA-N 2 1 351.451 0.644 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CCO[C@H](CC)C1 ZINC000889755606 673685873 /nfs/dbraw/zinc/68/58/73/673685873.db2.gz JDURBTOIIJWSMP-TVFCKZIOSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CCO[C@H](CC)C1 ZINC000889755605 673685948 /nfs/dbraw/zinc/68/59/48/673685948.db2.gz JDURBTOIIJWSMP-BRSBDYLESA-N 2 1 353.507 0.933 20 0 FCADMP CC1(C)CN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC[N@H+]1CCO ZINC000927637774 673873367 /nfs/dbraw/zinc/87/33/67/673873367.db2.gz VURJCBFRYXZHPE-INIZCTEOSA-N 2 1 354.495 0.338 20 0 FCADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1CCO ZINC000927637774 673873369 /nfs/dbraw/zinc/87/33/69/673873369.db2.gz VURJCBFRYXZHPE-INIZCTEOSA-N 2 1 354.495 0.338 20 0 FCADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1CCO ZINC000927637774 673873376 /nfs/dbraw/zinc/87/33/76/673873376.db2.gz VURJCBFRYXZHPE-INIZCTEOSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CCSC1 ZINC000929465356 673957683 /nfs/dbraw/zinc/95/76/83/673957683.db2.gz PFEORMPIFQBBLC-KRWDZBQOSA-N 2 1 356.536 0.388 20 0 FCADMP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000929506805 673959847 /nfs/dbraw/zinc/95/98/47/673959847.db2.gz QBBXRZBXBAHCJN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929506805 673959848 /nfs/dbraw/zinc/95/98/48/673959848.db2.gz QBBXRZBXBAHCJN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929506805 673959849 /nfs/dbraw/zinc/95/98/49/673959849.db2.gz QBBXRZBXBAHCJN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000929506805 673959851 /nfs/dbraw/zinc/95/98/51/673959851.db2.gz QBBXRZBXBAHCJN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000929506805 673959853 /nfs/dbraw/zinc/95/98/53/673959853.db2.gz QBBXRZBXBAHCJN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)[C@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1C[C@H]1CCC[NH+]1C ZINC000930033520 673993782 /nfs/dbraw/zinc/99/37/82/673993782.db2.gz YOOGZMCEMDGLFX-KZNAEPCWSA-N 2 1 351.539 0.249 20 0 FCADMP CN(C)C(=O)[C@H]1CN(C[C@H]2CCC[NH+]2C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000930033520 673993783 /nfs/dbraw/zinc/99/37/83/673993783.db2.gz YOOGZMCEMDGLFX-KZNAEPCWSA-N 2 1 351.539 0.249 20 0 FCADMP CN(C)C(=O)[C@H]1CN(C[C@H]2CCC[NH+]2C)CCN1C[C@H]1CCC[N@H+]1C ZINC000930033520 673993784 /nfs/dbraw/zinc/99/37/84/673993784.db2.gz YOOGZMCEMDGLFX-KZNAEPCWSA-N 2 1 351.539 0.249 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001007370003 675288274 /nfs/dbraw/zinc/28/82/74/675288274.db2.gz VPJGBSLZZYLGFF-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC[N@H+]1C ZINC001011212043 675377408 /nfs/dbraw/zinc/37/74/08/675377408.db2.gz YTNXJSRUINXLEM-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001020171105 675436130 /nfs/dbraw/zinc/43/61/30/675436130.db2.gz OBKOLYMVGIYIKG-FDYHWXHSSA-N 2 1 356.421 0.620 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001020171936 675436445 /nfs/dbraw/zinc/43/64/45/675436445.db2.gz DSDAVPWECCQSSA-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444659 675653715 /nfs/dbraw/zinc/65/37/15/675653715.db2.gz FKRCXUZWCVZNEC-IJEWVQPXSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900694251 675708331 /nfs/dbraw/zinc/70/83/31/675708331.db2.gz BZYKSDLRNYHNRF-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001046329952 675708677 /nfs/dbraw/zinc/70/86/77/675708677.db2.gz DFVKJOQHNQSRLS-HDMKZQKVSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001046329952 675708678 /nfs/dbraw/zinc/70/86/78/675708678.db2.gz DFVKJOQHNQSRLS-HDMKZQKVSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001046329952 675708679 /nfs/dbraw/zinc/70/86/79/675708679.db2.gz DFVKJOQHNQSRLS-HDMKZQKVSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001046330810 675709035 /nfs/dbraw/zinc/70/90/35/675709035.db2.gz TYAYQQANOZOZHJ-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001046330810 675709038 /nfs/dbraw/zinc/70/90/38/675709038.db2.gz TYAYQQANOZOZHJ-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001046330810 675709040 /nfs/dbraw/zinc/70/90/40/675709040.db2.gz TYAYQQANOZOZHJ-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001046330810 675709043 /nfs/dbraw/zinc/70/90/43/675709043.db2.gz TYAYQQANOZOZHJ-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000900812532 675719984 /nfs/dbraw/zinc/71/99/84/675719984.db2.gz WDYBHZFYRHOOIC-ROUUACIJSA-N 2 1 353.555 0.543 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000900844995 675723467 /nfs/dbraw/zinc/72/34/67/675723467.db2.gz IZXUOCXLDYQTTQ-MSOLQXFVSA-N 2 1 354.539 0.706 20 0 FCADMP COc1c[nH]c(CO)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1=O ZINC000902057090 675823596 /nfs/dbraw/zinc/82/35/96/675823596.db2.gz FBPFMCVGOFVJOL-UHFFFAOYSA-N 2 1 351.447 0.420 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC(=O)NC3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577861 1192192847 /nfs/dbraw/zinc/19/28/47/1192192847.db2.gz SRXIDRDHPXDXBI-SRABZTEZSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088577861 1192192852 /nfs/dbraw/zinc/19/28/52/1192192852.db2.gz SRXIDRDHPXDXBI-SRABZTEZSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088577861 1192192857 /nfs/dbraw/zinc/19/28/57/1192192857.db2.gz SRXIDRDHPXDXBI-SRABZTEZSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088577861 1192192864 /nfs/dbraw/zinc/19/28/64/1192192864.db2.gz SRXIDRDHPXDXBI-SRABZTEZSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577861 1192192874 /nfs/dbraw/zinc/19/28/74/1192192874.db2.gz SRXIDRDHPXDXBI-SRABZTEZSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001167096206 1168207905 /nfs/dbraw/zinc/20/79/05/1168207905.db2.gz WMNPPVBISSUGOC-OIISXLGYSA-N 2 1 371.489 0.712 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001691762755 1168309483 /nfs/dbraw/zinc/30/94/83/1168309483.db2.gz MQGOZZIPBWDJRM-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104289282 1169435045 /nfs/dbraw/zinc/43/50/45/1169435045.db2.gz IVYJDRKZDNHURA-INMHGKMJSA-N 2 1 366.506 0.189 20 0 FCADMP CN1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1 ZINC001021489068 1169470212 /nfs/dbraw/zinc/47/02/12/1169470212.db2.gz NOBGAVGNBVJKGX-HRCADAONSA-N 2 1 359.474 0.886 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4ncc[nH]4)[C@@H]3C2)C1 ZINC001021490995 1169472405 /nfs/dbraw/zinc/47/24/05/1169472405.db2.gz VNGISEGYYLEUIE-HRCADAONSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104291078 1169650475 /nfs/dbraw/zinc/65/04/75/1169650475.db2.gz IOUDEFUJEZLMCQ-BZUAXINKSA-N 2 1 361.490 0.923 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C ZINC001104294231 1169683369 /nfs/dbraw/zinc/68/33/69/1169683369.db2.gz DSQOAOLVSIIGES-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC001021699321 1169894159 /nfs/dbraw/zinc/89/41/59/1169894159.db2.gz OSZMEJSBJMFKAO-YESZJQIVSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001021713986 1169919204 /nfs/dbraw/zinc/91/92/04/1169919204.db2.gz GWHKVNRJDBODQF-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001021713986 1169919234 /nfs/dbraw/zinc/91/92/34/1169919234.db2.gz GWHKVNRJDBODQF-GVDBMIGSSA-N 2 1 359.474 0.735 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356189 1170005551 /nfs/dbraw/zinc/00/55/51/1170005551.db2.gz RLYKNFWJUDRQFA-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@H+]1C ZINC001687261835 1170098350 /nfs/dbraw/zinc/09/83/50/1170098350.db2.gz UTQOYHVOMJKIGD-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC001021885300 1170250594 /nfs/dbraw/zinc/25/05/94/1170250594.db2.gz HKSZOEAMZAJGBY-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1CCNCc1nnnn1C ZINC001104352224 1170286017 /nfs/dbraw/zinc/28/60/17/1170286017.db2.gz KHXWNJCWHAKVSL-CHWSQXEVSA-N 2 1 368.445 0.974 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569254 1170545284 /nfs/dbraw/zinc/54/52/84/1170545284.db2.gz AJSRHSPDISBNIO-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569254 1170545288 /nfs/dbraw/zinc/54/52/88/1170545288.db2.gz AJSRHSPDISBNIO-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569254 1170545309 /nfs/dbraw/zinc/54/53/09/1170545309.db2.gz AJSRHSPDISBNIO-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000124288378 1170780143 /nfs/dbraw/zinc/78/01/43/1170780143.db2.gz GVFWRWFSIQMCLR-YOEHRIQHSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124288378 1170780150 /nfs/dbraw/zinc/78/01/50/1170780150.db2.gz GVFWRWFSIQMCLR-YOEHRIQHSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673265 1170804288 /nfs/dbraw/zinc/80/42/88/1170804288.db2.gz JATOWBCBKSYGAE-BTAUDXDXSA-N 2 1 363.462 0.046 20 0 FCADMP COc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001022276839 1170825096 /nfs/dbraw/zinc/82/50/96/1170825096.db2.gz RFTBODAXEBOGQY-BQDHKBFISA-N 2 1 363.462 0.250 20 0 FCADMP COc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001022276839 1170825099 /nfs/dbraw/zinc/82/50/99/1170825099.db2.gz RFTBODAXEBOGQY-BQDHKBFISA-N 2 1 363.462 0.250 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)O1 ZINC000891728723 1170836991 /nfs/dbraw/zinc/83/69/91/1170836991.db2.gz OKCIWMRVQJNOMJ-XDNAFOTISA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)O1 ZINC000891728723 1170836992 /nfs/dbraw/zinc/83/69/92/1170836992.db2.gz OKCIWMRVQJNOMJ-XDNAFOTISA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H](C)O1 ZINC000891728723 1170836993 /nfs/dbraw/zinc/83/69/93/1170836993.db2.gz OKCIWMRVQJNOMJ-XDNAFOTISA-N 2 1 368.522 0.726 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083224847 1170840222 /nfs/dbraw/zinc/84/02/22/1170840222.db2.gz SOLQWFHDCPMVRH-ZWKOTPCHSA-N 2 1 367.490 0.047 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083224847 1170840223 /nfs/dbraw/zinc/84/02/23/1170840223.db2.gz SOLQWFHDCPMVRH-ZWKOTPCHSA-N 2 1 367.490 0.047 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891740645 1170840915 /nfs/dbraw/zinc/84/09/15/1170840915.db2.gz WAARCBPYMBMWNQ-KURKYZTESA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891740645 1170840916 /nfs/dbraw/zinc/84/09/16/1170840916.db2.gz WAARCBPYMBMWNQ-KURKYZTESA-N 2 1 368.522 0.584 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1)c1nnnn1C ZINC001087175333 1170872677 /nfs/dbraw/zinc/87/26/77/1170872677.db2.gz INHUMQFQAZNQND-FMKPAKJESA-N 2 1 363.510 0.972 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1)c1nnnn1C ZINC001087175333 1170872678 /nfs/dbraw/zinc/87/26/78/1170872678.db2.gz INHUMQFQAZNQND-FMKPAKJESA-N 2 1 363.510 0.972 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001691240137 1170879225 /nfs/dbraw/zinc/87/92/25/1170879225.db2.gz SLPLHJZYAXIQTH-DLBZAZTESA-N 2 1 359.478 0.975 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000891926846 1171084051 /nfs/dbraw/zinc/08/40/51/1171084051.db2.gz OXZLGYQCPOTRMQ-HNAYVOBHSA-N 2 1 365.522 0.570 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000891926846 1171084062 /nfs/dbraw/zinc/08/40/62/1171084062.db2.gz OXZLGYQCPOTRMQ-HNAYVOBHSA-N 2 1 365.522 0.570 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001691324489 1171097605 /nfs/dbraw/zinc/09/76/05/1171097605.db2.gz IJTOWESNTXKQBD-BFHYXJOUSA-N 2 1 351.451 0.698 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001691355830 1171192868 /nfs/dbraw/zinc/19/28/68/1171192868.db2.gz AQYIEDUXUILBAD-WCXIOVBPSA-N 2 1 365.522 0.569 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cccn2)C1 ZINC001691382563 1171244777 /nfs/dbraw/zinc/24/47/77/1171244777.db2.gz YSYHNBUNALUKPD-SQNIBIBYSA-N 2 1 363.506 0.821 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cccn2)C1 ZINC001691382563 1171244795 /nfs/dbraw/zinc/24/47/95/1171244795.db2.gz YSYHNBUNALUKPD-SQNIBIBYSA-N 2 1 363.506 0.821 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233259 1171784971 /nfs/dbraw/zinc/78/49/71/1171784971.db2.gz VVWIFRBYGSXOSB-MWDXBVQZSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233259 1171784978 /nfs/dbraw/zinc/78/49/78/1171784978.db2.gz VVWIFRBYGSXOSB-MWDXBVQZSA-N 2 1 368.522 0.942 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001022724195 1171818209 /nfs/dbraw/zinc/81/82/09/1171818209.db2.gz VAGQTXKDKFQBIX-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001022724195 1171818213 /nfs/dbraw/zinc/81/82/13/1171818213.db2.gz VAGQTXKDKFQBIX-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746055 1171852623 /nfs/dbraw/zinc/85/26/23/1171852623.db2.gz CMNFRFIEYRPXTD-XDNAFOTISA-N 2 1 368.485 0.897 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC000972236449 1171873551 /nfs/dbraw/zinc/87/35/51/1171873551.db2.gz DWFJFWWZFZBWDD-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC000972243820 1171883531 /nfs/dbraw/zinc/88/35/31/1171883531.db2.gz YTVMCJQASADYMH-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000972252694 1171886713 /nfs/dbraw/zinc/88/67/13/1171886713.db2.gz JPAYNBKTJPXZGL-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000972252694 1171886715 /nfs/dbraw/zinc/88/67/15/1171886715.db2.gz JPAYNBKTJPXZGL-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001104422182 1171952879 /nfs/dbraw/zinc/95/28/79/1171952879.db2.gz DMIHYIFPTNWAPB-VNQPRFMTSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1cncn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972423562 1172119355 /nfs/dbraw/zinc/11/93/55/1172119355.db2.gz QSOBBZGJVBIQIF-QBPKDAKJSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972423562 1172119372 /nfs/dbraw/zinc/11/93/72/1172119372.db2.gz QSOBBZGJVBIQIF-QBPKDAKJSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972423562 1172119384 /nfs/dbraw/zinc/11/93/84/1172119384.db2.gz QSOBBZGJVBIQIF-QBPKDAKJSA-N 2 1 359.474 0.591 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460576 1192503584 /nfs/dbraw/zinc/50/35/84/1192503584.db2.gz NBPQMXIRUKUSSR-SJORKVTESA-N 2 1 363.506 0.388 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460576 1192503586 /nfs/dbraw/zinc/50/35/86/1192503586.db2.gz NBPQMXIRUKUSSR-SJORKVTESA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000989065023 1192668887 /nfs/dbraw/zinc/66/88/87/1192668887.db2.gz NKMBHSWLEQDZQJ-GUXCAODWSA-N 2 1 360.502 0.674 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897544512 1192747529 /nfs/dbraw/zinc/74/75/29/1192747529.db2.gz ABONYHURTABFHV-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)O1 ZINC001075938694 1192824772 /nfs/dbraw/zinc/82/47/72/1192824772.db2.gz FVRCZDWOTGDDJF-CYGHRXIMSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)O1 ZINC001075938694 1192824774 /nfs/dbraw/zinc/82/47/74/1192824774.db2.gz FVRCZDWOTGDDJF-CYGHRXIMSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)O1 ZINC001075938694 1192824776 /nfs/dbraw/zinc/82/47/76/1192824776.db2.gz FVRCZDWOTGDDJF-CYGHRXIMSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)O1 ZINC001075938694 1192824779 /nfs/dbraw/zinc/82/47/79/1192824779.db2.gz FVRCZDWOTGDDJF-CYGHRXIMSA-N 2 1 361.490 0.214 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897603681 1192829890 /nfs/dbraw/zinc/82/98/90/1192829890.db2.gz DKTZQVGDXLSJDH-CQSZACIVSA-N 2 1 356.430 0.440 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001059976911 1192837659 /nfs/dbraw/zinc/83/76/59/1192837659.db2.gz VUGLETFHIZNPRF-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000897939886 1192852260 /nfs/dbraw/zinc/85/22/60/1192852260.db2.gz ULYJWJUHYDHQCT-HOTGVXAUSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000897939886 1192852261 /nfs/dbraw/zinc/85/22/61/1192852261.db2.gz ULYJWJUHYDHQCT-HOTGVXAUSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842035248 1192860950 /nfs/dbraw/zinc/86/09/50/1192860950.db2.gz JJBJIKCCVZDSCA-CJNGLKHVSA-N 2 1 370.457 0.635 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000842036395 1192861520 /nfs/dbraw/zinc/86/15/20/1192861520.db2.gz XXWLPVDFMJSALW-UHFFFAOYSA-N 2 1 370.457 0.970 20 0 FCADMP CC(C)COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001691547522 1192868590 /nfs/dbraw/zinc/86/85/90/1192868590.db2.gz FSDOEWBKTIYORO-SQNIBIBYSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001691547522 1192868592 /nfs/dbraw/zinc/86/85/92/1192868592.db2.gz FSDOEWBKTIYORO-SQNIBIBYSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001691547522 1192868593 /nfs/dbraw/zinc/86/85/93/1192868593.db2.gz FSDOEWBKTIYORO-SQNIBIBYSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001691547522 1192868594 /nfs/dbraw/zinc/86/85/94/1192868594.db2.gz FSDOEWBKTIYORO-SQNIBIBYSA-N 2 1 353.507 0.770 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001691570407 1192886986 /nfs/dbraw/zinc/88/69/86/1192886986.db2.gz FAPCTASBFDZFQJ-SOLBZPMBSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001691440514 1179019720 /nfs/dbraw/zinc/01/97/20/1179019720.db2.gz NFWDRFIUTNCQSW-LVQVYYBASA-N 2 1 371.547 0.636 20 0 FCADMP CCc1nnc(CN2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451348 1179758203 /nfs/dbraw/zinc/75/82/03/1179758203.db2.gz OXJGZJSWQSATAV-RBSFLKMASA-N 2 1 365.478 0.679 20 0 FCADMP CCc1nnc(CN2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451348 1179758210 /nfs/dbraw/zinc/75/82/10/1179758210.db2.gz OXJGZJSWQSATAV-RBSFLKMASA-N 2 1 365.478 0.679 20 0 FCADMP CCc1nnc(CN2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451347 1179759328 /nfs/dbraw/zinc/75/93/28/1179759328.db2.gz OXJGZJSWQSATAV-QLFBSQMISA-N 2 1 365.478 0.679 20 0 FCADMP CCc1nnc(CN2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451347 1179759344 /nfs/dbraw/zinc/75/93/44/1179759344.db2.gz OXJGZJSWQSATAV-QLFBSQMISA-N 2 1 365.478 0.679 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cncn2C)C1 ZINC001087247972 1180003503 /nfs/dbraw/zinc/00/35/03/1180003503.db2.gz JCHOOLIUPBVYDI-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cncn2C)C1 ZINC001087247972 1180003510 /nfs/dbraw/zinc/00/35/10/1180003510.db2.gz JCHOOLIUPBVYDI-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC000972738708 1180682195 /nfs/dbraw/zinc/68/21/95/1180682195.db2.gz FMBNQJLPDYFQNM-SUMDDJOVSA-N 2 1 362.518 0.870 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2(C[NH+](C)C)CC2)C3)n1 ZINC001112518664 1180838388 /nfs/dbraw/zinc/83/83/88/1180838388.db2.gz WAJTUDJSMOUPAJ-KSSFIOAISA-N 2 1 361.494 0.270 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462747 1181206248 /nfs/dbraw/zinc/20/62/48/1181206248.db2.gz UHQIFHQYHPAFSU-IXDOHACOSA-N 2 1 371.441 0.038 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024861911 1181702075 /nfs/dbraw/zinc/70/20/75/1181702075.db2.gz MEEZRXMCBBLVJL-BRWVUGGUSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)CC[C@@H]21 ZINC000892519222 1181710356 /nfs/dbraw/zinc/71/03/56/1181710356.db2.gz MZHQRSPSOCXJJK-QAPCUYQASA-N 2 1 369.473 0.962 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892523890 1181731842 /nfs/dbraw/zinc/73/18/42/1181731842.db2.gz GPJQNUUCWDMESA-UHFFFAOYSA-N 2 1 357.462 0.962 20 0 FCADMP COc1cccc(CN2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083274010 1181741201 /nfs/dbraw/zinc/74/12/01/1181741201.db2.gz RNPKCFKEMNDKMU-HYVNUMGLSA-N 2 1 360.458 0.454 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000973333261 1182243177 /nfs/dbraw/zinc/24/31/77/1182243177.db2.gz IZUWIPQOWIOMFF-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000973333261 1182243185 /nfs/dbraw/zinc/24/31/85/1182243185.db2.gz IZUWIPQOWIOMFF-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000973333261 1182243193 /nfs/dbraw/zinc/24/31/93/1182243193.db2.gz IZUWIPQOWIOMFF-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000973333261 1182243197 /nfs/dbraw/zinc/24/31/97/1182243197.db2.gz IZUWIPQOWIOMFF-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083283907 1182511665 /nfs/dbraw/zinc/51/16/65/1182511665.db2.gz AYRLAGVPNGYXBO-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001025683990 1182682488 /nfs/dbraw/zinc/68/24/88/1182682488.db2.gz WDAOLTOSMXBKJC-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792915 1182844384 /nfs/dbraw/zinc/84/43/84/1182844384.db2.gz KSJJFRGBCJISOJ-SUMCQTLJSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025792915 1182844386 /nfs/dbraw/zinc/84/43/86/1182844386.db2.gz KSJJFRGBCJISOJ-SUMCQTLJSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025792915 1182844388 /nfs/dbraw/zinc/84/43/88/1182844388.db2.gz KSJJFRGBCJISOJ-SUMCQTLJSA-N 2 1 362.518 0.774 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063349 1182878039 /nfs/dbraw/zinc/87/80/39/1182878039.db2.gz PKNGSZCKQLHXDI-VIGLNSERSA-N 2 1 370.497 0.513 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001026063349 1182878041 /nfs/dbraw/zinc/87/80/41/1182878041.db2.gz PKNGSZCKQLHXDI-VIGLNSERSA-N 2 1 370.497 0.513 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001026063349 1182878046 /nfs/dbraw/zinc/87/80/46/1182878046.db2.gz PKNGSZCKQLHXDI-VIGLNSERSA-N 2 1 370.497 0.513 20 0 FCADMP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001104795362 1182923985 /nfs/dbraw/zinc/92/39/85/1182923985.db2.gz ONPKWPNWDBOYJG-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104795363 1182924283 /nfs/dbraw/zinc/92/42/83/1182924283.db2.gz OTADSINLRAUEMF-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104932920 1183007017 /nfs/dbraw/zinc/00/70/17/1183007017.db2.gz VORSRUCPJCFJJM-IAGOWNOFSA-N 2 1 367.538 0.818 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104932772 1183007545 /nfs/dbraw/zinc/00/75/45/1183007545.db2.gz NCBWMRCSTVSXDG-RBSFLKMASA-N 2 1 369.510 0.376 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104932682 1183007725 /nfs/dbraw/zinc/00/77/25/1183007725.db2.gz HFQBGMLXDTZCRB-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000974163996 1183021952 /nfs/dbraw/zinc/02/19/52/1183021952.db2.gz WSMUYSTWPRUNRA-FLXSYLCISA-N 2 1 362.518 0.822 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001105064501 1183098296 /nfs/dbraw/zinc/09/82/96/1183098296.db2.gz RYNROEDCEPVVQM-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001026514353 1183145896 /nfs/dbraw/zinc/14/58/96/1183145896.db2.gz BDVZJNDKBUTJPG-RDHHWEPZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001026514353 1183145901 /nfs/dbraw/zinc/14/59/01/1183145901.db2.gz BDVZJNDKBUTJPG-RDHHWEPZSA-N 2 1 366.506 0.345 20 0 FCADMP COCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243817 1183151259 /nfs/dbraw/zinc/15/12/59/1183151259.db2.gz JCUNPORYHDKCTQ-RHSMWYFYSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@H](C)COC)nn3)C2)CC[N@@H+]1C ZINC001105244209 1183152524 /nfs/dbraw/zinc/15/25/24/1183152524.db2.gz QMDZFYRGFVGUOR-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+][C@H](C)COC)nn3)C2)CC[N@H+]1C ZINC001105244209 1183152532 /nfs/dbraw/zinc/15/25/32/1183152532.db2.gz QMDZFYRGFVGUOR-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267925028 1183154347 /nfs/dbraw/zinc/15/43/47/1183154347.db2.gz LSRHPCVAUTZUDS-KBUPBQIOSA-N 2 1 367.494 0.189 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21)[NH+](C)C ZINC000974593085 1183370552 /nfs/dbraw/zinc/37/05/52/1183370552.db2.gz VVEWWUCYSSXKIZ-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(C4CC4)nn3C)C2)CC[N@H+]1C ZINC001026853191 1183416944 /nfs/dbraw/zinc/41/69/44/1183416944.db2.gz AEVLOGHATQXYHK-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC000974684343 1183445672 /nfs/dbraw/zinc/44/56/72/1183445672.db2.gz OESRKQBDYGYSHU-JFIYKMOQSA-N 2 1 361.490 0.837 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975718964 1185641749 /nfs/dbraw/zinc/64/17/49/1185641749.db2.gz DYDWCRPIGXPLRY-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000975718964 1185641758 /nfs/dbraw/zinc/64/17/58/1185641758.db2.gz DYDWCRPIGXPLRY-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000975720147 1185644533 /nfs/dbraw/zinc/64/45/33/1185644533.db2.gz RFROAIGQCBUMSW-IRXDYDNUSA-N 2 1 359.474 0.737 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666498 1185926674 /nfs/dbraw/zinc/92/66/74/1185926674.db2.gz DQTOBBLLRCRCBU-JKSUJKDBSA-N 2 1 357.462 0.246 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC[N@H+]1C ZINC000978870604 1186014899 /nfs/dbraw/zinc/01/48/99/1186014899.db2.gz MSDBXZUYBXRDSX-BKQXGZDCSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC[N@@H+]1C ZINC000978870604 1186014912 /nfs/dbraw/zinc/01/49/12/1186014912.db2.gz MSDBXZUYBXRDSX-BKQXGZDCSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC[N@H+]1C ZINC000978870604 1186014919 /nfs/dbraw/zinc/01/49/19/1186014919.db2.gz MSDBXZUYBXRDSX-BKQXGZDCSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000979002283 1186044644 /nfs/dbraw/zinc/04/46/44/1186044644.db2.gz JWRFNPOISPHDIQ-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000979002283 1186044652 /nfs/dbraw/zinc/04/46/52/1186044652.db2.gz JWRFNPOISPHDIQ-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000979002283 1186044657 /nfs/dbraw/zinc/04/46/57/1186044657.db2.gz JWRFNPOISPHDIQ-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000979002283 1186044660 /nfs/dbraw/zinc/04/46/60/1186044660.db2.gz JWRFNPOISPHDIQ-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001481469562 1186092650 /nfs/dbraw/zinc/09/26/50/1186092650.db2.gz UQLDGZBYIVGPDP-GUDVDZBRSA-N 2 1 366.550 0.829 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001481514280 1186214281 /nfs/dbraw/zinc/21/42/81/1186214281.db2.gz VXQPHFHPZKTAEG-UMVBOHGHSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481514280 1186214288 /nfs/dbraw/zinc/21/42/88/1186214288.db2.gz VXQPHFHPZKTAEG-UMVBOHGHSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481514280 1186214294 /nfs/dbraw/zinc/21/42/94/1186214294.db2.gz VXQPHFHPZKTAEG-UMVBOHGHSA-N 2 1 367.494 0.080 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981651116 1186473704 /nfs/dbraw/zinc/47/37/04/1186473704.db2.gz OPQRBKTZDFRSTA-DOTOQJQBSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4cnnn4C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282654 1186696886 /nfs/dbraw/zinc/69/68/86/1186696886.db2.gz DHUJJZZAOKWPFO-OPNNQBFTSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4cnnn4C)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282654 1186696891 /nfs/dbraw/zinc/69/68/91/1186696891.db2.gz DHUJJZZAOKWPFO-OPNNQBFTSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](Cc4cnnn4C)C[C@]3(C)C2)CC[NH+]1C ZINC000982282654 1186696893 /nfs/dbraw/zinc/69/68/93/1186696893.db2.gz DHUJJZZAOKWPFO-OPNNQBFTSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](Cc4cnnn4C)C[C@]3(C)C2)CC[NH+]1C ZINC000982282654 1186696896 /nfs/dbraw/zinc/69/68/96/1186696896.db2.gz DHUJJZZAOKWPFO-OPNNQBFTSA-N 2 1 360.506 0.826 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001211720973 1187466906 /nfs/dbraw/zinc/46/69/06/1187466906.db2.gz UQWLBFVEVXEUAF-CEXWTWQISA-N 2 1 361.486 0.531 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211732366 1187519254 /nfs/dbraw/zinc/51/92/54/1187519254.db2.gz CDSVJFLPXOTBHK-ZWKOTPCHSA-N 2 1 360.502 0.999 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000982896948 1187776034 /nfs/dbraw/zinc/77/60/34/1187776034.db2.gz JEICTVTWAKBUOX-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000982896948 1187776045 /nfs/dbraw/zinc/77/60/45/1187776045.db2.gz JEICTVTWAKBUOX-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000982896948 1187776055 /nfs/dbraw/zinc/77/60/55/1187776055.db2.gz JEICTVTWAKBUOX-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000982896948 1187776070 /nfs/dbraw/zinc/77/60/70/1187776070.db2.gz JEICTVTWAKBUOX-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1cn(C)nc1C ZINC001691505194 1187846064 /nfs/dbraw/zinc/84/60/64/1187846064.db2.gz YIFKUOMMEJTRFK-ZWKOTPCHSA-N 2 1 363.506 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1cn(C)nc1C ZINC001691505194 1187846066 /nfs/dbraw/zinc/84/60/66/1187846066.db2.gz YIFKUOMMEJTRFK-ZWKOTPCHSA-N 2 1 363.506 0.920 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1CN(C(=O)CC[NH+](C)C)C2 ZINC001270062386 1187984173 /nfs/dbraw/zinc/98/41/73/1187984173.db2.gz YBYWZJHZRWXYAN-UHFFFAOYSA-N 2 1 364.494 0.617 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001270118871 1188020043 /nfs/dbraw/zinc/02/00/43/1188020043.db2.gz WIMZQJBVDJCWHT-IJEWVQPXSA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001270118871 1188020046 /nfs/dbraw/zinc/02/00/46/1188020046.db2.gz WIMZQJBVDJCWHT-IJEWVQPXSA-N 2 1 363.510 0.830 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001270155693 1188034022 /nfs/dbraw/zinc/03/40/22/1188034022.db2.gz QGHWOFRFFBQPGL-LPHOPBHVSA-N 2 1 359.474 0.998 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CCn4ccnc4)C3=O)C2)C1 ZINC001270334011 1188098940 /nfs/dbraw/zinc/09/89/40/1188098940.db2.gz WHQYBLLREGQYLB-QFBILLFUSA-N 2 1 359.474 0.676 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc5nccn54)CC3)[C@@H]2C1 ZINC001270496587 1188176137 /nfs/dbraw/zinc/17/61/37/1188176137.db2.gz PNSVHYVQPVNBFP-ZIAGYGMSSA-N 2 1 353.426 0.617 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000894788465 1188250935 /nfs/dbraw/zinc/25/09/35/1188250935.db2.gz QDYOIXUEXQGLRF-XYTVBORESA-N 2 1 365.522 0.854 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000894788465 1188250939 /nfs/dbraw/zinc/25/09/39/1188250939.db2.gz QDYOIXUEXQGLRF-XYTVBORESA-N 2 1 365.522 0.854 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000894788465 1188250944 /nfs/dbraw/zinc/25/09/44/1188250944.db2.gz QDYOIXUEXQGLRF-XYTVBORESA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]Cc3nnn(C)n3)CC2)CC[N@@H+]1C ZINC001029101861 1188271863 /nfs/dbraw/zinc/27/18/63/1188271863.db2.gz PEBXCTVZSXLNFN-VNQPRFMTSA-N 2 1 363.510 0.657 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]Cc3nnn(C)n3)CC2)CC[N@H+]1C ZINC001029101861 1188271869 /nfs/dbraw/zinc/27/18/69/1188271869.db2.gz PEBXCTVZSXLNFN-VNQPRFMTSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC000983708718 1188277459 /nfs/dbraw/zinc/27/74/59/1188277459.db2.gz MTDIVOIOUYRXBR-UTGUJQJDSA-N 2 1 361.494 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC000983714349 1188281244 /nfs/dbraw/zinc/28/12/44/1188281244.db2.gz QGDPSPHNASPTLD-DARAHFNDSA-N 2 1 361.494 0.723 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000550381818 1188344181 /nfs/dbraw/zinc/34/41/81/1188344181.db2.gz IFYDRXLZHACLFR-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000550384051 1188344473 /nfs/dbraw/zinc/34/44/73/1188344473.db2.gz YEKSZCGGIXXIJY-QGZVFWFLSA-N 2 1 369.554 0.221 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000550384051 1188344480 /nfs/dbraw/zinc/34/44/80/1188344480.db2.gz YEKSZCGGIXXIJY-QGZVFWFLSA-N 2 1 369.554 0.221 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000550384051 1188344482 /nfs/dbraw/zinc/34/44/82/1188344482.db2.gz YEKSZCGGIXXIJY-QGZVFWFLSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCc4nccn4C3)CC2)CC[N@H+]1C ZINC001299175719 1188396626 /nfs/dbraw/zinc/39/66/26/1188396626.db2.gz WGZWYGOPXXDQOP-RBSFLKMASA-N 2 1 359.474 0.551 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075798532 1188422541 /nfs/dbraw/zinc/42/25/41/1188422541.db2.gz FBXWRTOXMLICJK-CGTJXYLNSA-N 2 1 371.485 0.860 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075798532 1188422544 /nfs/dbraw/zinc/42/25/44/1188422544.db2.gz FBXWRTOXMLICJK-CGTJXYLNSA-N 2 1 371.485 0.860 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)n1 ZINC001075804140 1189394497 /nfs/dbraw/zinc/39/44/97/1189394497.db2.gz XPJSOJDWYKTQLU-XYJFISCASA-N 2 1 361.490 0.628 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCCN(C)C2=O)O1 ZINC001029356895 1189432322 /nfs/dbraw/zinc/43/23/22/1189432322.db2.gz WSOJGDJLTNALJS-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCCN(C)C2=O)O1 ZINC001029356895 1189432325 /nfs/dbraw/zinc/43/23/25/1189432325.db2.gz WSOJGDJLTNALJS-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCN(C)C2=O)O1 ZINC001029356895 1189432327 /nfs/dbraw/zinc/43/23/27/1189432327.db2.gz WSOJGDJLTNALJS-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCN(C)C2=O)O1 ZINC001029356895 1189432340 /nfs/dbraw/zinc/43/23/40/1189432340.db2.gz WSOJGDJLTNALJS-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984218404 1189598062 /nfs/dbraw/zinc/59/80/62/1189598062.db2.gz DFNBMXKMTUCFDY-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984218404 1189598064 /nfs/dbraw/zinc/59/80/64/1189598064.db2.gz DFNBMXKMTUCFDY-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCN1CCNC1=O ZINC001087574047 1189609380 /nfs/dbraw/zinc/60/93/80/1189609380.db2.gz PVCHZLUWAYBJCU-IXDOHACOSA-N 2 1 363.506 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087577907 1189611229 /nfs/dbraw/zinc/61/12/29/1189611229.db2.gz PNYGCMSPIBROBM-WCXIOVBPSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087577907 1189611244 /nfs/dbraw/zinc/61/12/44/1189611244.db2.gz PNYGCMSPIBROBM-WCXIOVBPSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087577907 1189611253 /nfs/dbraw/zinc/61/12/53/1189611253.db2.gz PNYGCMSPIBROBM-WCXIOVBPSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087577907 1189611263 /nfs/dbraw/zinc/61/12/63/1189611263.db2.gz PNYGCMSPIBROBM-WCXIOVBPSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984234888 1189662926 /nfs/dbraw/zinc/66/29/26/1189662926.db2.gz SIJLXEQYRMYFQU-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984234888 1189662933 /nfs/dbraw/zinc/66/29/33/1189662933.db2.gz SIJLXEQYRMYFQU-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000984263296 1189743853 /nfs/dbraw/zinc/74/38/53/1189743853.db2.gz XXJCTKOBVPIYFN-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144046 1189815152 /nfs/dbraw/zinc/81/51/52/1189815152.db2.gz RNYDEQZDBHZUDC-VQIMIIECSA-N 2 1 359.474 0.855 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1=O ZINC001271144046 1189815153 /nfs/dbraw/zinc/81/51/53/1189815153.db2.gz RNYDEQZDBHZUDC-VQIMIIECSA-N 2 1 359.474 0.855 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087799360 1189828946 /nfs/dbraw/zinc/82/89/46/1189828946.db2.gz QBRSLDHRNCFNLP-HRCADAONSA-N 2 1 358.490 0.830 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000984413969 1189840678 /nfs/dbraw/zinc/84/06/78/1189840678.db2.gz YIVPDNIDLXJDMW-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCc1ccnn1C ZINC001087837119 1189845850 /nfs/dbraw/zinc/84/58/50/1189845850.db2.gz UYKPTWHHXKCPMW-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CCc1ccnn1C ZINC001087837119 1189845853 /nfs/dbraw/zinc/84/58/53/1189845853.db2.gz UYKPTWHHXKCPMW-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CCc1ccnn1C ZINC001087837119 1189845855 /nfs/dbraw/zinc/84/58/55/1189845855.db2.gz UYKPTWHHXKCPMW-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCc1ccnn1C ZINC001087837119 1189845857 /nfs/dbraw/zinc/84/58/57/1189845857.db2.gz UYKPTWHHXKCPMW-KSZLIROESA-N 2 1 363.506 0.652 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908572 1189893677 /nfs/dbraw/zinc/89/36/77/1189893677.db2.gz GNRBDHKNWBHWSV-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908572 1189893678 /nfs/dbraw/zinc/89/36/78/1189893678.db2.gz GNRBDHKNWBHWSV-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908572 1189893679 /nfs/dbraw/zinc/89/36/79/1189893679.db2.gz GNRBDHKNWBHWSV-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964065 1190010441 /nfs/dbraw/zinc/01/04/41/1190010441.db2.gz UZIKYUJIGDFWRI-FGTMMUONSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964065 1190010444 /nfs/dbraw/zinc/01/04/44/1190010444.db2.gz UZIKYUJIGDFWRI-FGTMMUONSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964065 1190010449 /nfs/dbraw/zinc/01/04/49/1190010449.db2.gz UZIKYUJIGDFWRI-FGTMMUONSA-N 2 1 360.506 0.931 20 0 FCADMP CCn1nncc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971450 1190032395 /nfs/dbraw/zinc/03/23/95/1190032395.db2.gz AGKLICMQXMGBFK-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971450 1190032398 /nfs/dbraw/zinc/03/23/98/1190032398.db2.gz AGKLICMQXMGBFK-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971450 1190032401 /nfs/dbraw/zinc/03/24/01/1190032401.db2.gz AGKLICMQXMGBFK-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971450 1190032404 /nfs/dbraw/zinc/03/24/04/1190032404.db2.gz AGKLICMQXMGBFK-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971450 1190032411 /nfs/dbraw/zinc/03/24/11/1190032411.db2.gz AGKLICMQXMGBFK-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971317 1190035947 /nfs/dbraw/zinc/03/59/47/1190035947.db2.gz RWZAUOORCAGKBQ-XLMAVXFVSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971317 1190035953 /nfs/dbraw/zinc/03/59/53/1190035953.db2.gz RWZAUOORCAGKBQ-XLMAVXFVSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971317 1190035959 /nfs/dbraw/zinc/03/59/59/1190035959.db2.gz RWZAUOORCAGKBQ-XLMAVXFVSA-N 2 1 362.518 0.728 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)N1CCC1 ZINC001087993896 1190146954 /nfs/dbraw/zinc/14/69/54/1190146954.db2.gz IZPRRLQUXHFBHQ-IKGGRYGDSA-N 2 1 371.485 0.773 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)N1CCC1 ZINC001087993896 1190146959 /nfs/dbraw/zinc/14/69/59/1190146959.db2.gz IZPRRLQUXHFBHQ-IKGGRYGDSA-N 2 1 371.485 0.773 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011758 1190210317 /nfs/dbraw/zinc/21/03/17/1190210317.db2.gz BVKOISCUHYHYPZ-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011758 1190210323 /nfs/dbraw/zinc/21/03/23/1190210323.db2.gz BVKOISCUHYHYPZ-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011758 1190210332 /nfs/dbraw/zinc/21/03/32/1190210332.db2.gz BVKOISCUHYHYPZ-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011758 1190210341 /nfs/dbraw/zinc/21/03/41/1190210341.db2.gz BVKOISCUHYHYPZ-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1)C1CC1 ZINC001088014495 1190216768 /nfs/dbraw/zinc/21/67/68/1190216768.db2.gz XCZREMIDXVDPPZ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1)C1CC1 ZINC001088014495 1190216771 /nfs/dbraw/zinc/21/67/71/1190216771.db2.gz XCZREMIDXVDPPZ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1)C1CC1 ZINC001088014495 1190216775 /nfs/dbraw/zinc/21/67/75/1190216775.db2.gz XCZREMIDXVDPPZ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cncc4C3)C[C@@H]2C1 ZINC001088017269 1190226070 /nfs/dbraw/zinc/22/60/70/1190226070.db2.gz STUOYCGWRRCNAE-OAGGEKHMSA-N 2 1 369.473 0.555 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4cncn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018623 1190231328 /nfs/dbraw/zinc/23/13/28/1190231328.db2.gz FGBFABWETZHMGH-IKGGRYGDSA-N 2 1 371.485 0.458 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@H]3CCc4cncn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018623 1190231333 /nfs/dbraw/zinc/23/13/33/1190231333.db2.gz FGBFABWETZHMGH-IKGGRYGDSA-N 2 1 371.485 0.458 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026719 1190258283 /nfs/dbraw/zinc/25/82/83/1190258283.db2.gz ZOBLEGPLBFTATL-CVEARBPZSA-N 2 1 358.490 0.724 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026719 1190258290 /nfs/dbraw/zinc/25/82/90/1190258290.db2.gz ZOBLEGPLBFTATL-CVEARBPZSA-N 2 1 358.490 0.724 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088042164 1190299813 /nfs/dbraw/zinc/29/98/13/1190299813.db2.gz AOUAVAXQTSWUHX-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088042164 1190299819 /nfs/dbraw/zinc/29/98/19/1190299819.db2.gz AOUAVAXQTSWUHX-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001271210557 1190359042 /nfs/dbraw/zinc/35/90/42/1190359042.db2.gz FEUMJSDIPQQLLG-IAGOWNOFSA-N 2 1 369.416 0.108 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4cnnn4C)C[C@H]3C2)CC[N@H+]1C ZINC001088081760 1190467839 /nfs/dbraw/zinc/46/78/39/1190467839.db2.gz CXFDRWAJJIWKJX-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnnn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081760 1190467842 /nfs/dbraw/zinc/46/78/42/1190467842.db2.gz CXFDRWAJJIWKJX-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnnn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081760 1190467846 /nfs/dbraw/zinc/46/78/46/1190467846.db2.gz CXFDRWAJJIWKJX-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081760 1190467857 /nfs/dbraw/zinc/46/78/57/1190467857.db2.gz CXFDRWAJJIWKJX-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081760 1190467863 /nfs/dbraw/zinc/46/78/63/1190467863.db2.gz CXFDRWAJJIWKJX-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC1 ZINC001088090300 1190537510 /nfs/dbraw/zinc/53/75/10/1190537510.db2.gz HDYIVKYRANYYCP-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088130570 1190632719 /nfs/dbraw/zinc/63/27/19/1190632719.db2.gz VBMXRNZKLBMKQW-MSOLQXFVSA-N 2 1 360.506 0.790 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128073 1190899615 /nfs/dbraw/zinc/89/96/15/1190899615.db2.gz QXNPRZINFDZSHV-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128073 1190899618 /nfs/dbraw/zinc/89/96/18/1190899618.db2.gz QXNPRZINFDZSHV-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128073 1190899620 /nfs/dbraw/zinc/89/96/20/1190899620.db2.gz QXNPRZINFDZSHV-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986140550 1190904802 /nfs/dbraw/zinc/90/48/02/1190904802.db2.gz LDDYGZBZWNOXQO-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000986140550 1190904806 /nfs/dbraw/zinc/90/48/06/1190904806.db2.gz LDDYGZBZWNOXQO-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986140550 1190904808 /nfs/dbraw/zinc/90/48/08/1190904808.db2.gz LDDYGZBZWNOXQO-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)CC[C@@H]3C2)CC[N@H+]1C ZINC000986191913 1190918024 /nfs/dbraw/zinc/91/80/24/1190918024.db2.gz ZRGZVFUSYTYYLY-ZJPYXAASSA-N 2 1 374.529 0.729 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC000986523829 1191018111 /nfs/dbraw/zinc/01/81/11/1191018111.db2.gz RPHWLRNJNHNJPJ-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC000986523829 1191018113 /nfs/dbraw/zinc/01/81/13/1191018113.db2.gz RPHWLRNJNHNJPJ-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC001029973702 1191057489 /nfs/dbraw/zinc/05/74/89/1191057489.db2.gz LKVNDRNUKSLAMK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC001029973702 1191057492 /nfs/dbraw/zinc/05/74/92/1191057492.db2.gz LKVNDRNUKSLAMK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC001029973702 1191057494 /nfs/dbraw/zinc/05/74/94/1191057494.db2.gz LKVNDRNUKSLAMK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)[C@@H]3CCCNC3=O)CC2)O1 ZINC001029973702 1191057498 /nfs/dbraw/zinc/05/74/98/1191057498.db2.gz LKVNDRNUKSLAMK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP COc1ccnc(N2CCN(C(=O)NCCN3CCO[C@@H](C)C3)CC2)c1 ZINC000729605489 1191119601 /nfs/dbraw/zinc/11/96/01/1191119601.db2.gz KAHSNGOUUSXMJA-HNNXBMFYSA-N 2 1 363.462 0.643 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1 ZINC000988108529 1191150342 /nfs/dbraw/zinc/15/03/42/1191150342.db2.gz YUCKIZWBYIIOBF-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1 ZINC000988108529 1191150343 /nfs/dbraw/zinc/15/03/43/1191150343.db2.gz YUCKIZWBYIIOBF-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988179891 1191158917 /nfs/dbraw/zinc/15/89/17/1191158917.db2.gz ZCIMWFBBUAJNQU-OWCLPIDISA-N 2 1 361.490 0.908 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC[N@H+]1C ZINC000988388214 1191205744 /nfs/dbraw/zinc/20/57/44/1191205744.db2.gz MNJWXAPTPGCAKT-HYVNUMGLSA-N 2 1 361.490 0.989 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618897 1191208479 /nfs/dbraw/zinc/20/84/79/1191208479.db2.gz FMJROIADBQTQJD-DLBZAZTESA-N 2 1 366.506 0.794 20 0 FCADMP COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc12 ZINC001218085480 1224139516 /nfs/dbraw/zinc/13/95/16/1224139516.db2.gz BIXMGFCEOBRBKM-LMWIJYBJSA-N 2 1 359.426 0.824 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CN(C)C)on3)[C@H]2C1 ZINC001218213571 1224147275 /nfs/dbraw/zinc/14/72/75/1224147275.db2.gz GZUJOOLWITVBMV-DLBZAZTESA-N 2 1 366.462 0.688 20 0 FCADMP COCCCCN1C[C@H]2OCCN(C(=O)c3cc(CN(C)C)on3)[C@H]2C1 ZINC001218213571 1224147276 /nfs/dbraw/zinc/14/72/76/1224147276.db2.gz GZUJOOLWITVBMV-DLBZAZTESA-N 2 1 366.462 0.688 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000550901431 1193819526 /nfs/dbraw/zinc/81/95/26/1193819526.db2.gz HTVKGXUIDQZOTL-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1)N1CCC1 ZINC001075948931 1193827014 /nfs/dbraw/zinc/82/70/14/1193827014.db2.gz PMMVKPVCFXBTLE-SUMWQHHRSA-N 2 1 353.426 0.942 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1)N1CCC1 ZINC001075948931 1193827015 /nfs/dbraw/zinc/82/70/15/1193827015.db2.gz PMMVKPVCFXBTLE-SUMWQHHRSA-N 2 1 353.426 0.942 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000551017891 1193827568 /nfs/dbraw/zinc/82/75/68/1193827568.db2.gz JFNXAENHJZSDLE-KRWDZBQOSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000551075173 1193832064 /nfs/dbraw/zinc/83/20/64/1193832064.db2.gz SUBSCOMCCXZZKV-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnon1)C2 ZINC001105660302 1193863005 /nfs/dbraw/zinc/86/30/05/1193863005.db2.gz STXZPKKSPUUXQN-JOCBIADPSA-N 2 1 365.478 0.487 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1Cc1ccn(C)n1 ZINC001088757370 1193892117 /nfs/dbraw/zinc/89/21/17/1193892117.db2.gz VXEGTOJSHJAJLR-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052608 1193899785 /nfs/dbraw/zinc/89/97/85/1193899785.db2.gz HGGHJXHUFCUBFL-JZXOWHBKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552538509 1193937613 /nfs/dbraw/zinc/93/76/13/1193937613.db2.gz DAKZMEIRGMAMGK-HOTGVXAUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000552538879 1193938482 /nfs/dbraw/zinc/93/84/82/1193938482.db2.gz QPHKKBGFMLJLNJ-INIZCTEOSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000552690337 1193947810 /nfs/dbraw/zinc/94/78/10/1193947810.db2.gz OWTGMJUXRGUDIF-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001075995058 1193952779 /nfs/dbraw/zinc/95/27/79/1193952779.db2.gz WLGXBBMKJCIEPB-BHYGNILZSA-N 2 1 353.426 0.711 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000552969372 1193962177 /nfs/dbraw/zinc/96/21/77/1193962177.db2.gz JIHHNIDBDHMKFU-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552969372 1193962178 /nfs/dbraw/zinc/96/21/78/1193962178.db2.gz JIHHNIDBDHMKFU-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000552969372 1193962179 /nfs/dbraw/zinc/96/21/79/1193962179.db2.gz JIHHNIDBDHMKFU-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]21 ZINC001218601194 1224180372 /nfs/dbraw/zinc/18/03/72/1224180372.db2.gz ZDYKUKZLDRSKOO-OKZBNKHCSA-N 2 1 365.449 0.722 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]21 ZINC001218601194 1224180376 /nfs/dbraw/zinc/18/03/76/1224180376.db2.gz ZDYKUKZLDRSKOO-OKZBNKHCSA-N 2 1 365.449 0.722 20 0 FCADMP Nc1cn(C(=O)[C@H]([NH3+])c2ccccc2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621048 1224182986 /nfs/dbraw/zinc/18/29/86/1224182986.db2.gz JVECUXSVJVVUKX-GOSISDBHSA-N 2 1 355.442 0.643 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735636 1194017328 /nfs/dbraw/zinc/01/73/28/1194017328.db2.gz WPIJLSGHECXZTF-IAGOWNOFSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083506024 1194054818 /nfs/dbraw/zinc/05/48/18/1194054818.db2.gz MQILEBRVWMJIII-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083506024 1194054827 /nfs/dbraw/zinc/05/48/27/1194054827.db2.gz MQILEBRVWMJIII-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083506024 1194054832 /nfs/dbraw/zinc/05/48/32/1194054832.db2.gz MQILEBRVWMJIII-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083506024 1194054836 /nfs/dbraw/zinc/05/48/36/1194054836.db2.gz MQILEBRVWMJIII-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188411 1194084653 /nfs/dbraw/zinc/08/46/53/1194084653.db2.gz FOLQBLSYJJKGOX-OXJNMPFZSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1C[NH+](C2CCOCC2)C1 ZINC000898978850 1194091305 /nfs/dbraw/zinc/09/13/05/1194091305.db2.gz YADOAMDIORBGLX-QZTJIDSGSA-N 2 1 363.502 0.857 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152737685 1194093775 /nfs/dbraw/zinc/09/37/75/1194093775.db2.gz VRYKCYYXTIBLDD-RANZSIQMSA-N 2 1 368.522 0.773 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152737685 1194093779 /nfs/dbraw/zinc/09/37/79/1194093779.db2.gz VRYKCYYXTIBLDD-RANZSIQMSA-N 2 1 368.522 0.773 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765740 1194116718 /nfs/dbraw/zinc/11/67/18/1194116718.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@@H+]1C ZINC000990765740 1194116721 /nfs/dbraw/zinc/11/67/21/1194116721.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@H+]1C ZINC000990765740 1194116723 /nfs/dbraw/zinc/11/67/23/1194116723.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 1 362.478 0.062 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521822 1194137666 /nfs/dbraw/zinc/13/76/66/1194137666.db2.gz IZGOCWODENRUPK-JQHSSLGASA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521822 1194137671 /nfs/dbraw/zinc/13/76/71/1194137671.db2.gz IZGOCWODENRUPK-JQHSSLGASA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521822 1194137673 /nfs/dbraw/zinc/13/76/73/1194137673.db2.gz IZGOCWODENRUPK-JQHSSLGASA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521822 1194137677 /nfs/dbraw/zinc/13/76/77/1194137677.db2.gz IZGOCWODENRUPK-JQHSSLGASA-N 2 1 363.506 0.368 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCN2CCNC2=O)CC3)CC[NH+]1C ZINC000990792292 1194164568 /nfs/dbraw/zinc/16/45/68/1194164568.db2.gz RJOMSHIBVFALAW-JEWRLFTDSA-N 2 1 363.506 0.465 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076053240 1194270739 /nfs/dbraw/zinc/27/07/39/1194270739.db2.gz WDQXLKZYYQTADJ-IAOVAPTHSA-N 2 1 357.458 0.183 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076053240 1194270741 /nfs/dbraw/zinc/27/07/41/1194270741.db2.gz WDQXLKZYYQTADJ-IAOVAPTHSA-N 2 1 357.458 0.183 20 0 FCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070574 1194292957 /nfs/dbraw/zinc/29/29/57/1194292957.db2.gz PTMNQIMVLJGNDW-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070574 1194292960 /nfs/dbraw/zinc/29/29/60/1194292960.db2.gz PTMNQIMVLJGNDW-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1nccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070574 1194292966 /nfs/dbraw/zinc/29/29/66/1194292966.db2.gz PTMNQIMVLJGNDW-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1nccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070574 1194292971 /nfs/dbraw/zinc/29/29/71/1194292971.db2.gz PTMNQIMVLJGNDW-DPYNHQQTSA-N 2 1 371.485 0.316 20 0 FCADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076086031 1194298598 /nfs/dbraw/zinc/29/85/98/1194298598.db2.gz LYFWAOBODPXZLM-RCCFBDPRSA-N 2 1 358.490 0.685 20 0 FCADMP COC(CNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)OC ZINC001276794430 1224209833 /nfs/dbraw/zinc/20/98/33/1224209833.db2.gz JPIYHIXYWLFSOK-HUUCEWRRSA-N 2 1 371.522 0.573 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206543 1194353444 /nfs/dbraw/zinc/35/34/44/1194353444.db2.gz UHAHEWZZXSNAER-DOTOQJQBSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206543 1194353449 /nfs/dbraw/zinc/35/34/49/1194353449.db2.gz UHAHEWZZXSNAER-DOTOQJQBSA-N 2 1 359.474 0.860 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794784 1224214352 /nfs/dbraw/zinc/21/43/52/1224214352.db2.gz SHHIBQVJTQCSLE-DNVCBOLYSA-N 3 1 368.522 0.138 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794784 1224214357 /nfs/dbraw/zinc/21/43/57/1224214357.db2.gz SHHIBQVJTQCSLE-DNVCBOLYSA-N 2 1 368.522 0.138 20 0 FCADMP CCNC(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794961 1224214620 /nfs/dbraw/zinc/21/46/20/1224214620.db2.gz VBGMVJZMRLIKRR-CABCVRRESA-N 2 1 368.522 0.090 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)cn1 ZINC001076407660 1194452899 /nfs/dbraw/zinc/45/28/99/1194452899.db2.gz PNDBCDJLXXNMPK-FUHWJXTLSA-N 2 1 361.490 0.564 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001076398780 1194454721 /nfs/dbraw/zinc/45/47/21/1194454721.db2.gz FLXZCZVDJALADG-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076399100 1194456412 /nfs/dbraw/zinc/45/64/12/1194456412.db2.gz WDGFPRPJOZSRFM-HRCADAONSA-N 2 1 362.474 0.056 20 0 FCADMP CCOC(=O)[C@@H]1CN(C)C(=O)C12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276795492 1224218456 /nfs/dbraw/zinc/21/84/56/1224218456.db2.gz LCQBTKITHQBEQQ-CABCVRRESA-N 2 1 369.506 0.469 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001076418905 1194467809 /nfs/dbraw/zinc/46/78/09/1194467809.db2.gz VNXWNETZQISYMP-ZWKOTPCHSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001076418905 1194467815 /nfs/dbraw/zinc/46/78/15/1194467815.db2.gz VNXWNETZQISYMP-ZWKOTPCHSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467632 1194502622 /nfs/dbraw/zinc/50/26/22/1194502622.db2.gz PLJFUVIMSWNAMK-DLBZAZTESA-N 2 1 358.490 0.523 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462517 1194507978 /nfs/dbraw/zinc/50/79/78/1194507978.db2.gz XWNXPYJISGDXNQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462517 1194507985 /nfs/dbraw/zinc/50/79/85/1194507985.db2.gz XWNXPYJISGDXNQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462517 1194507992 /nfs/dbraw/zinc/50/79/92/1194507992.db2.gz XWNXPYJISGDXNQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462517 1194507997 /nfs/dbraw/zinc/50/79/97/1194507997.db2.gz XWNXPYJISGDXNQ-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076573745 1194570871 /nfs/dbraw/zinc/57/08/71/1194570871.db2.gz YGVKBTPGVRPADX-HRCADAONSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076573745 1194570879 /nfs/dbraw/zinc/57/08/79/1194570879.db2.gz YGVKBTPGVRPADX-HRCADAONSA-N 2 1 355.446 0.503 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567737 1194573830 /nfs/dbraw/zinc/57/38/30/1194573830.db2.gz HBDLYPLASRGNBF-RCCFBDPRSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567737 1194573833 /nfs/dbraw/zinc/57/38/33/1194573833.db2.gz HBDLYPLASRGNBF-RCCFBDPRSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567737 1194573837 /nfs/dbraw/zinc/57/38/37/1194573837.db2.gz HBDLYPLASRGNBF-RCCFBDPRSA-N 2 1 356.470 0.770 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001076568987 1194574636 /nfs/dbraw/zinc/57/46/36/1194574636.db2.gz FUTRKPNOBGXVOB-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001076568987 1194574638 /nfs/dbraw/zinc/57/46/38/1194574638.db2.gz FUTRKPNOBGXVOB-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC001076568987 1194574641 /nfs/dbraw/zinc/57/46/41/1194574641.db2.gz FUTRKPNOBGXVOB-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001076568987 1194574645 /nfs/dbraw/zinc/57/46/45/1194574645.db2.gz FUTRKPNOBGXVOB-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076576396 1194582719 /nfs/dbraw/zinc/58/27/19/1194582719.db2.gz JCQSAYZZIOWFML-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076576396 1194582722 /nfs/dbraw/zinc/58/27/22/1194582722.db2.gz JCQSAYZZIOWFML-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588815 1194583856 /nfs/dbraw/zinc/58/38/56/1194583856.db2.gz GXPATVHWHOZSFL-RCCFBDPRSA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588815 1194583860 /nfs/dbraw/zinc/58/38/60/1194583860.db2.gz GXPATVHWHOZSFL-RCCFBDPRSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588815 1194583863 /nfs/dbraw/zinc/58/38/63/1194583863.db2.gz GXPATVHWHOZSFL-RCCFBDPRSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588815 1194583869 /nfs/dbraw/zinc/58/38/69/1194583869.db2.gz GXPATVHWHOZSFL-RCCFBDPRSA-N 2 1 361.490 0.216 20 0 FCADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218879394 1224243973 /nfs/dbraw/zinc/24/39/73/1224243973.db2.gz BHRQCGRUPGEEJT-INIZCTEOSA-N 2 1 361.490 0.730 20 0 FCADMP Cc1cnc2cc(C(=O)N[C@@H]3CN(C[C@@H]4CCCCO4)C[C@H]3O)ccn12 ZINC001076996879 1195134923 /nfs/dbraw/zinc/13/49/23/1195134923.db2.gz RVOLNRJBHPAQJD-GVDBMIGSSA-N 2 1 358.442 0.987 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c(C)n1 ZINC001077007157 1195140871 /nfs/dbraw/zinc/14/08/71/1195140871.db2.gz BDEFHFKZWRGOKH-GUDVDZBRSA-N 2 1 358.486 0.702 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c(C)n1 ZINC001077007157 1195140874 /nfs/dbraw/zinc/14/08/74/1195140874.db2.gz BDEFHFKZWRGOKH-GUDVDZBRSA-N 2 1 358.486 0.702 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083559892 1195152680 /nfs/dbraw/zinc/15/26/80/1195152680.db2.gz HNVFZOBTTBIQRU-MSOLQXFVSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083559892 1195152691 /nfs/dbraw/zinc/15/26/91/1195152691.db2.gz HNVFZOBTTBIQRU-MSOLQXFVSA-N 2 1 358.486 0.927 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127872 1195242247 /nfs/dbraw/zinc/24/22/47/1195242247.db2.gz NBPNOEBZYRCDBO-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127872 1195242252 /nfs/dbraw/zinc/24/22/52/1195242252.db2.gz NBPNOEBZYRCDBO-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127872 1195242258 /nfs/dbraw/zinc/24/22/58/1195242258.db2.gz NBPNOEBZYRCDBO-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127894 1195242552 /nfs/dbraw/zinc/24/25/52/1195242552.db2.gz OCEKKDKUEOCVFM-KBAYOESNSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127894 1195242557 /nfs/dbraw/zinc/24/25/57/1195242557.db2.gz OCEKKDKUEOCVFM-KBAYOESNSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077127894 1195242562 /nfs/dbraw/zinc/24/25/62/1195242562.db2.gz OCEKKDKUEOCVFM-KBAYOESNSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cncn3C)[C@H]2C1 ZINC001218965438 1224273036 /nfs/dbraw/zinc/27/30/36/1224273036.db2.gz KJMJUEIHKCJKAB-ZWKOTPCHSA-N 2 1 364.490 0.937 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077233191 1195341832 /nfs/dbraw/zinc/34/18/32/1195341832.db2.gz NUDMWMDIMMECNY-APHBMKBZSA-N 2 1 367.413 0.117 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077233191 1195341837 /nfs/dbraw/zinc/34/18/37/1195341837.db2.gz NUDMWMDIMMECNY-APHBMKBZSA-N 2 1 367.413 0.117 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077280868 1195381731 /nfs/dbraw/zinc/38/17/31/1195381731.db2.gz OJQBXRSINXJVQG-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077280868 1195381736 /nfs/dbraw/zinc/38/17/36/1195381736.db2.gz OJQBXRSINXJVQG-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077280868 1195381743 /nfs/dbraw/zinc/38/17/43/1195381743.db2.gz OJQBXRSINXJVQG-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077280868 1195381749 /nfs/dbraw/zinc/38/17/49/1195381749.db2.gz OJQBXRSINXJVQG-KZNAEPCWSA-N 2 1 363.506 0.244 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CCC1 ZINC001077308670 1195410122 /nfs/dbraw/zinc/41/01/22/1195410122.db2.gz GFKYZAUOIFMJKW-KURKYZTESA-N 2 1 358.442 0.924 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CCC1 ZINC001077395976 1195493532 /nfs/dbraw/zinc/49/35/32/1195493532.db2.gz ICIFDBTYKYHTKP-KURKYZTESA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418011 1195516843 /nfs/dbraw/zinc/51/68/43/1195516843.db2.gz GHNFMFDJAGGLPW-KJBWJIBOSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418011 1195516853 /nfs/dbraw/zinc/51/68/53/1195516853.db2.gz GHNFMFDJAGGLPW-KJBWJIBOSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418011 1195516860 /nfs/dbraw/zinc/51/68/60/1195516860.db2.gz GHNFMFDJAGGLPW-KJBWJIBOSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418321 1195517619 /nfs/dbraw/zinc/51/76/19/1195517619.db2.gz NMGIWSZROYZVOA-AAGJERLFSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418321 1195517631 /nfs/dbraw/zinc/51/76/31/1195517631.db2.gz NMGIWSZROYZVOA-AAGJERLFSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418321 1195517637 /nfs/dbraw/zinc/51/76/37/1195517637.db2.gz NMGIWSZROYZVOA-AAGJERLFSA-N 2 1 371.428 0.056 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)cc2C1 ZINC000904509196 1195540135 /nfs/dbraw/zinc/54/01/35/1195540135.db2.gz DORPBMVIYTWPEA-OLMNPRSZSA-N 2 1 359.474 0.961 20 0 FCADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347245 1195581621 /nfs/dbraw/zinc/58/16/21/1195581621.db2.gz XKDTVJMBWKRKTO-PKOBYXMFSA-N 2 1 365.474 0.662 20 0 FCADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221654 1195617577 /nfs/dbraw/zinc/61/75/77/1195617577.db2.gz XHLBEBHTUTZNGV-DLBZAZTESA-N 2 1 361.490 0.721 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000906402038 1195628090 /nfs/dbraw/zinc/62/80/90/1195628090.db2.gz SKVBWDGUDIAXMW-UHFFFAOYSA-N 2 1 359.518 0.866 20 0 FCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000907354962 1195691168 /nfs/dbraw/zinc/69/11/68/1195691168.db2.gz MXQLXLDBBQTBSX-UHFFFAOYSA-N 2 1 365.566 0.356 20 0 FCADMP COC[C@H](O)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001105708629 1195793476 /nfs/dbraw/zinc/79/34/76/1195793476.db2.gz RGUOBOOJNHMAHS-IIDMSEBBSA-N 2 1 369.506 0.026 20 0 FCADMP COC[C@H](O)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001105708629 1195793484 /nfs/dbraw/zinc/79/34/84/1195793484.db2.gz RGUOBOOJNHMAHS-IIDMSEBBSA-N 2 1 369.506 0.026 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630763 1195802573 /nfs/dbraw/zinc/80/25/73/1195802573.db2.gz MMVTZMGDXXEZQB-OLMNPRSZSA-N 2 1 371.441 0.469 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000910830777 1195851005 /nfs/dbraw/zinc/85/10/05/1195851005.db2.gz UJNICFJZKDRWNQ-IAGOWNOFSA-N 2 1 373.501 0.919 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000910830779 1195851059 /nfs/dbraw/zinc/85/10/59/1195851059.db2.gz UJNICFJZKDRWNQ-SJORKVTESA-N 2 1 373.501 0.919 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@@H](C)O1 ZINC000911054274 1195879398 /nfs/dbraw/zinc/87/93/98/1195879398.db2.gz UAFQDOGZDOKFGW-BZUAXINKSA-N 2 1 368.522 0.639 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000911092755 1195887763 /nfs/dbraw/zinc/88/77/63/1195887763.db2.gz VCMHPHKJYPZXFQ-OALUTQOASA-N 2 1 372.513 0.865 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911103807 1195890741 /nfs/dbraw/zinc/89/07/41/1195890741.db2.gz YUASMRWFYNKRHV-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911166058 1195903097 /nfs/dbraw/zinc/90/30/97/1195903097.db2.gz UDVDWCZNGREINA-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000911243348 1195921940 /nfs/dbraw/zinc/92/19/40/1195921940.db2.gz OKSGBNLQEPARBX-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC000911634895 1196305980 /nfs/dbraw/zinc/30/59/80/1196305980.db2.gz FMIFXSLXHYNLIF-GOSISDBHSA-N 2 1 358.486 0.918 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654947 1196350416 /nfs/dbraw/zinc/35/04/16/1196350416.db2.gz NMGIWSZROYZVOA-VNPHFLKHSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654947 1196350418 /nfs/dbraw/zinc/35/04/18/1196350418.db2.gz NMGIWSZROYZVOA-VNPHFLKHSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654947 1196350420 /nfs/dbraw/zinc/35/04/20/1196350420.db2.gz NMGIWSZROYZVOA-VNPHFLKHSA-N 2 1 371.428 0.056 20 0 FCADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000913040763 1196390333 /nfs/dbraw/zinc/39/03/33/1196390333.db2.gz PTUYHQXLHJPGLO-YVMONPNESA-N 2 1 374.485 0.706 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592560408 1196569529 /nfs/dbraw/zinc/56/95/29/1196569529.db2.gz NHENSYYKDJHGBW-IRXDYDNUSA-N 2 1 374.533 0.961 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000593737601 1196651635 /nfs/dbraw/zinc/65/16/35/1196651635.db2.gz PTMSWWJYZDPQEM-ULQDDVLXSA-N 2 1 367.490 0.616 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001105945080 1196749027 /nfs/dbraw/zinc/74/90/27/1196749027.db2.gz KGMUQXTUCLKTAQ-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)on1 ZINC001105945338 1196749943 /nfs/dbraw/zinc/74/99/43/1196749943.db2.gz UAVSOUZMNPLJDR-YUELXQCFSA-N 2 1 363.462 0.700 20 0 FCADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912953 1196834394 /nfs/dbraw/zinc/83/43/94/1196834394.db2.gz ZMDRBALEAZADPO-WBVHZDCISA-N 2 1 371.489 0.936 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912953 1196834395 /nfs/dbraw/zinc/83/43/95/1196834395.db2.gz ZMDRBALEAZADPO-WBVHZDCISA-N 2 1 371.489 0.936 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001088983402 1196856251 /nfs/dbraw/zinc/85/62/51/1196856251.db2.gz VERPIXKGWZTPJF-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001088983402 1196856252 /nfs/dbraw/zinc/85/62/52/1196856252.db2.gz VERPIXKGWZTPJF-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053508 1196877016 /nfs/dbraw/zinc/87/70/16/1196877016.db2.gz YXYFYUIBGBRRKL-MNEFBYGVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053508 1196877017 /nfs/dbraw/zinc/87/70/17/1196877017.db2.gz YXYFYUIBGBRRKL-MNEFBYGVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053508 1196877019 /nfs/dbraw/zinc/87/70/19/1196877019.db2.gz YXYFYUIBGBRRKL-MNEFBYGVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)[C@@H]2C)C1 ZINC001089053508 1196877021 /nfs/dbraw/zinc/87/70/21/1196877021.db2.gz YXYFYUIBGBRRKL-MNEFBYGVSA-N 2 1 361.486 0.979 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106120446 1197041144 /nfs/dbraw/zinc/04/11/44/1197041144.db2.gz VRHNOUABCHKCPB-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696077 1197101617 /nfs/dbraw/zinc/10/16/17/1197101617.db2.gz ICIATXRBIYTZDE-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696077 1197101621 /nfs/dbraw/zinc/10/16/21/1197101621.db2.gz ICIATXRBIYTZDE-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992698299 1197309260 /nfs/dbraw/zinc/30/92/60/1197309260.db2.gz GNEGBJRZHUKJHQ-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992698299 1197309263 /nfs/dbraw/zinc/30/92/63/1197309263.db2.gz GNEGBJRZHUKJHQ-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085254086 1197753355 /nfs/dbraw/zinc/75/33/55/1197753355.db2.gz RKMRNYAWTQJZQP-OAGGEKHMSA-N 2 1 363.510 0.848 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085254086 1197753363 /nfs/dbraw/zinc/75/33/63/1197753363.db2.gz RKMRNYAWTQJZQP-OAGGEKHMSA-N 2 1 363.510 0.848 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723473 1197753846 /nfs/dbraw/zinc/75/38/46/1197753846.db2.gz LXYNZNUNCXJXCS-FGTMMUONSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723473 1197753870 /nfs/dbraw/zinc/75/38/70/1197753870.db2.gz LXYNZNUNCXJXCS-FGTMMUONSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723473 1197753891 /nfs/dbraw/zinc/75/38/91/1197753891.db2.gz LXYNZNUNCXJXCS-FGTMMUONSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723473 1197753907 /nfs/dbraw/zinc/75/39/07/1197753907.db2.gz LXYNZNUNCXJXCS-FGTMMUONSA-N 2 1 369.506 0.074 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249714 1197784942 /nfs/dbraw/zinc/78/49/42/1197784942.db2.gz OSACGJZEQWFSCY-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273317952 1197808619 /nfs/dbraw/zinc/80/86/19/1197808619.db2.gz YNOIBRFPGOFFST-MVJTYMMSSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106272097 1197811908 /nfs/dbraw/zinc/81/19/08/1197811908.db2.gz ROMVFNITHLZSLC-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085331801 1197824241 /nfs/dbraw/zinc/82/42/41/1197824241.db2.gz AJLWALFBCOPVBA-BZUAXINKSA-N 2 1 364.490 0.494 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589170 1197863953 /nfs/dbraw/zinc/86/39/53/1197863953.db2.gz FMIKSSSTCDCNHJ-LSDHHAIUSA-N 2 1 370.413 0.185 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106339807 1197869979 /nfs/dbraw/zinc/86/99/79/1197869979.db2.gz BBUZUVHWPFDAOY-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352122 1197874524 /nfs/dbraw/zinc/87/45/24/1197874524.db2.gz FARYLTGZHFGGFU-ZIAGYGMSSA-N 2 1 365.478 0.560 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085424006 1197888706 /nfs/dbraw/zinc/88/87/06/1197888706.db2.gz RLAQTLCUDSXFJA-HUUCEWRRSA-N 2 1 361.446 0.358 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085429504 1197896410 /nfs/dbraw/zinc/89/64/10/1197896410.db2.gz UZABJVAMWKFMJY-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085429504 1197896412 /nfs/dbraw/zinc/89/64/12/1197896412.db2.gz UZABJVAMWKFMJY-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762113925 1197912896 /nfs/dbraw/zinc/91/28/96/1197912896.db2.gz RVOCUVZSZAXYKA-MOPGFXCFSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762113925 1197912905 /nfs/dbraw/zinc/91/29/05/1197912905.db2.gz RVOCUVZSZAXYKA-MOPGFXCFSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]CCOCCO ZINC001106435116 1197924887 /nfs/dbraw/zinc/92/48/87/1197924887.db2.gz JAIBFUHGYVLXGZ-HZPDHXFCSA-N 2 1 364.490 0.455 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001066279761 1197944897 /nfs/dbraw/zinc/94/48/97/1197944897.db2.gz YORXDJDVOKEETO-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001066279761 1197944907 /nfs/dbraw/zinc/94/49/07/1197944907.db2.gz YORXDJDVOKEETO-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000739023273 1198006851 /nfs/dbraw/zinc/00/68/51/1198006851.db2.gz LLRLATHNSZMVOA-AEFFLSMTSA-N 2 1 368.522 0.897 20 0 FCADMP COc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120701 1198181115 /nfs/dbraw/zinc/18/11/15/1198181115.db2.gz JNWQMFXNLBCYOA-TXCZRRACSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120701 1198181126 /nfs/dbraw/zinc/18/11/26/1198181126.db2.gz JNWQMFXNLBCYOA-TXCZRRACSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086120514 1198183288 /nfs/dbraw/zinc/18/32/88/1198183288.db2.gz BOWCTCAWPYFNRC-MXASKKJJSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086120514 1198183299 /nfs/dbraw/zinc/18/32/99/1198183299.db2.gz BOWCTCAWPYFNRC-MXASKKJJSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001086400819 1198355844 /nfs/dbraw/zinc/35/58/44/1198355844.db2.gz YMTCIQLVGJAHFT-ZHCJQAHYSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001086400819 1198355855 /nfs/dbraw/zinc/35/58/55/1198355855.db2.gz YMTCIQLVGJAHFT-ZHCJQAHYSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001086400524 1198356537 /nfs/dbraw/zinc/35/65/37/1198356537.db2.gz KPRGTYQLDFSRTM-UTRMSSBJSA-N 2 1 361.486 0.882 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001086400524 1198356545 /nfs/dbraw/zinc/35/65/45/1198356545.db2.gz KPRGTYQLDFSRTM-UTRMSSBJSA-N 2 1 361.486 0.882 20 0 FCADMP CCOC(=O)C1(Nc2cnc(N3CC[NH+](C)CC3)nc2)CC[NH+](C)CC1 ZINC001169492224 1199071270 /nfs/dbraw/zinc/07/12/70/1199071270.db2.gz RWFFNAKKVZICNZ-UHFFFAOYSA-N 2 1 362.478 0.668 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370736 1199132196 /nfs/dbraw/zinc/13/21/96/1199132196.db2.gz ZPJKXVHFAPDCTI-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370736 1199132200 /nfs/dbraw/zinc/13/22/00/1199132200.db2.gz ZPJKXVHFAPDCTI-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370736 1199132205 /nfs/dbraw/zinc/13/22/05/1199132205.db2.gz ZPJKXVHFAPDCTI-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP [NH3+]C[C@@H](O)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722693 1224575473 /nfs/dbraw/zinc/57/54/73/1224575473.db2.gz DPQKRPHJJFRZNA-MSOLQXFVSA-N 3 1 360.502 0.314 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219726978 1224579663 /nfs/dbraw/zinc/57/96/63/1224579663.db2.gz TTZSLCUABTWABX-QYZOEREBSA-N 3 1 372.513 0.185 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129386155 1200110005 /nfs/dbraw/zinc/11/00/05/1200110005.db2.gz ZBIMTBLBXCKJTE-CVEARBPZSA-N 2 1 370.473 0.338 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001109402264 1200250406 /nfs/dbraw/zinc/25/04/06/1200250406.db2.gz LHNHCODTVOAJAB-DFEOGRTESA-N 2 1 358.486 0.947 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001109408636 1200256702 /nfs/dbraw/zinc/25/67/02/1200256702.db2.gz UIRCETNDALVWRY-PMPSAXMXSA-N 2 1 362.474 0.341 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001109408636 1200256706 /nfs/dbraw/zinc/25/67/06/1200256706.db2.gz UIRCETNDALVWRY-PMPSAXMXSA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001109408636 1200256714 /nfs/dbraw/zinc/25/67/14/1200256714.db2.gz UIRCETNDALVWRY-PMPSAXMXSA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C1CCC1 ZINC001109408636 1200256720 /nfs/dbraw/zinc/25/67/20/1200256720.db2.gz UIRCETNDALVWRY-PMPSAXMXSA-N 2 1 362.474 0.341 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C ZINC001109527171 1200363826 /nfs/dbraw/zinc/36/38/26/1200363826.db2.gz KNONSZMFCHJGJQ-OWSLCNJRSA-N 2 1 364.490 0.947 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(C)C ZINC001109527171 1200363838 /nfs/dbraw/zinc/36/38/38/1200363838.db2.gz KNONSZMFCHJGJQ-OWSLCNJRSA-N 2 1 364.490 0.947 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001109651035 1200443486 /nfs/dbraw/zinc/44/34/86/1200443486.db2.gz FXVAPLWYBLQJCP-QZWWFDLISA-N 2 1 361.490 0.307 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671348 1200457938 /nfs/dbraw/zinc/45/79/38/1200457938.db2.gz DDWLCPHIVLSFEI-SQNIBIBYSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671348 1200457947 /nfs/dbraw/zinc/45/79/47/1200457947.db2.gz DDWLCPHIVLSFEI-SQNIBIBYSA-N 2 1 362.518 0.918 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672714 1200460453 /nfs/dbraw/zinc/46/04/53/1200460453.db2.gz QKDDEIHIGASZBE-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672714 1200460461 /nfs/dbraw/zinc/46/04/61/1200460461.db2.gz QKDDEIHIGASZBE-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729076 1200490130 /nfs/dbraw/zinc/49/01/30/1200490130.db2.gz SPDLMJRPSLQUTH-CRWXNKLISA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729076 1200490133 /nfs/dbraw/zinc/49/01/33/1200490133.db2.gz SPDLMJRPSLQUTH-CRWXNKLISA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729076 1200490137 /nfs/dbraw/zinc/49/01/37/1200490137.db2.gz SPDLMJRPSLQUTH-CRWXNKLISA-N 2 1 367.494 0.269 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729076 1200490140 /nfs/dbraw/zinc/49/01/40/1200490140.db2.gz SPDLMJRPSLQUTH-CRWXNKLISA-N 2 1 367.494 0.269 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001109799462 1200523256 /nfs/dbraw/zinc/52/32/56/1200523256.db2.gz ZEIONBPZEBAYFN-SQNIBIBYSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001109799462 1200523266 /nfs/dbraw/zinc/52/32/66/1200523266.db2.gz ZEIONBPZEBAYFN-SQNIBIBYSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]2O)CCC1 ZINC001219798137 1224617943 /nfs/dbraw/zinc/61/79/43/1224617943.db2.gz FYGWGRXXIKWOBG-ZACQAIPSSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]2O)CCC1 ZINC001219798137 1224617947 /nfs/dbraw/zinc/61/79/47/1224617947.db2.gz FYGWGRXXIKWOBG-ZACQAIPSSA-N 2 1 365.449 0.505 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001109845102 1200557458 /nfs/dbraw/zinc/55/74/58/1200557458.db2.gz UPIROJJVRRZCPQ-IKGGRYGDSA-N 2 1 357.462 0.985 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001109845102 1200557467 /nfs/dbraw/zinc/55/74/67/1200557467.db2.gz UPIROJJVRRZCPQ-IKGGRYGDSA-N 2 1 357.462 0.985 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CCC1 ZINC001219802477 1224621698 /nfs/dbraw/zinc/62/16/98/1224621698.db2.gz PSGFBZDLKLCGPI-KSZLIROESA-N 2 1 361.486 0.236 20 0 FCADMP C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000771804134 1200651024 /nfs/dbraw/zinc/65/10/24/1200651024.db2.gz BYVCAQFEGMWJEL-KXBFYZLASA-N 2 1 361.486 0.884 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980647 1200664418 /nfs/dbraw/zinc/66/44/18/1200664418.db2.gz UVLDGFFLIRSKIL-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980647 1200664422 /nfs/dbraw/zinc/66/44/22/1200664422.db2.gz UVLDGFFLIRSKIL-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001109980158 1200664465 /nfs/dbraw/zinc/66/44/65/1200664465.db2.gz KGUBBVZSMTUVGN-WCVJEAGWSA-N 2 1 362.478 0.065 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980765 1200665668 /nfs/dbraw/zinc/66/56/68/1200665668.db2.gz ZJYAXUDDBZPBAZ-YVSFHVDLSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980765 1200665673 /nfs/dbraw/zinc/66/56/73/1200665673.db2.gz ZJYAXUDDBZPBAZ-YVSFHVDLSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980736 1200667236 /nfs/dbraw/zinc/66/72/36/1200667236.db2.gz YQDWVTHBSOGWMR-FZKCQIBNSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980736 1200667242 /nfs/dbraw/zinc/66/72/42/1200667242.db2.gz YQDWVTHBSOGWMR-FZKCQIBNSA-N 2 1 368.522 0.589 20 0 FCADMP [NH3+]CCc1ccc(CC(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc1 ZINC001219807596 1224627106 /nfs/dbraw/zinc/62/71/06/1224627106.db2.gz JVGNVYMWTLHLLY-UHFFFAOYSA-N 2 1 355.442 0.097 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC001090438436 1200807979 /nfs/dbraw/zinc/80/79/79/1200807979.db2.gz OVRKGYFKNOZUKE-HZPDHXFCSA-N 2 1 361.490 0.889 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001112586247 1200822275 /nfs/dbraw/zinc/82/22/75/1200822275.db2.gz PEGHHGTZKGMJGD-MPGHIAIKSA-N 2 1 363.510 0.830 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000786330041 1200834523 /nfs/dbraw/zinc/83/45/23/1200834523.db2.gz BCRWVKZLKLLAQR-IRXDYDNUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000786330039 1200835002 /nfs/dbraw/zinc/83/50/02/1200835002.db2.gz BCRWVKZLKLLAQR-DLBZAZTESA-N 2 1 366.506 0.202 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000787486420 1200888395 /nfs/dbraw/zinc/88/83/95/1200888395.db2.gz QYIHYZWCMHSWNY-CZUORRHYSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000787486420 1200888399 /nfs/dbraw/zinc/88/83/99/1200888399.db2.gz QYIHYZWCMHSWNY-CZUORRHYSA-N 2 1 370.457 0.791 20 0 FCADMP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)n1ccnc1 ZINC001219853331 1224655363 /nfs/dbraw/zinc/65/53/63/1224655363.db2.gz PZXLHYJBRCSUPO-IKGGRYGDSA-N 2 1 360.462 0.528 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CC1 ZINC001219866925 1224661889 /nfs/dbraw/zinc/66/18/89/1224661889.db2.gz FDTNNRFSCGCPRX-SQNIBIBYSA-N 2 1 365.518 0.839 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400526 1201306598 /nfs/dbraw/zinc/30/65/98/1201306598.db2.gz RJBPFXWAFVOXMZ-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400526 1201306605 /nfs/dbraw/zinc/30/66/05/1201306605.db2.gz RJBPFXWAFVOXMZ-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400526 1201306609 /nfs/dbraw/zinc/30/66/09/1201306609.db2.gz RJBPFXWAFVOXMZ-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461318 1201328405 /nfs/dbraw/zinc/32/84/05/1201328405.db2.gz VPDCUXRYSMJIAO-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461318 1201328410 /nfs/dbraw/zinc/32/84/10/1201328410.db2.gz VPDCUXRYSMJIAO-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461318 1201328414 /nfs/dbraw/zinc/32/84/14/1201328414.db2.gz VPDCUXRYSMJIAO-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461318 1201328422 /nfs/dbraw/zinc/32/84/22/1201328422.db2.gz VPDCUXRYSMJIAO-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484696 1201331424 /nfs/dbraw/zinc/33/14/24/1201331424.db2.gz BNNLKQPPVHPQHX-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484696 1201331428 /nfs/dbraw/zinc/33/14/28/1201331428.db2.gz BNNLKQPPVHPQHX-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624190 1201360091 /nfs/dbraw/zinc/36/00/91/1201360091.db2.gz RPRDCFSMLIMFKI-GBESFXJTSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624190 1201360099 /nfs/dbraw/zinc/36/00/99/1201360099.db2.gz RPRDCFSMLIMFKI-GBESFXJTSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624190 1201360103 /nfs/dbraw/zinc/36/01/03/1201360103.db2.gz RPRDCFSMLIMFKI-GBESFXJTSA-N 2 1 368.485 0.814 20 0 FCADMP Cc1cccc(Cn2c(=O)ccc3c2CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C3)n1 ZINC001219888910 1224671829 /nfs/dbraw/zinc/67/18/29/1224671829.db2.gz XJODMOIKQUMLKZ-RDJZCZTQSA-N 2 1 369.469 0.250 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129977737 1201460106 /nfs/dbraw/zinc/46/01/06/1201460106.db2.gz DLQIEXXETUFKBE-IXDOHACOSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129977737 1201460116 /nfs/dbraw/zinc/46/01/16/1201460116.db2.gz DLQIEXXETUFKBE-IXDOHACOSA-N 2 1 364.494 0.529 20 0 FCADMP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040737 1201478247 /nfs/dbraw/zinc/47/82/47/1201478247.db2.gz JPBMAOFUJYCAQW-XHSDSOJGSA-N 2 1 368.457 0.090 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130106984 1201502235 /nfs/dbraw/zinc/50/22/35/1201502235.db2.gz BXXNKUWFCGIPAJ-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130106932 1201502428 /nfs/dbraw/zinc/50/24/28/1201502428.db2.gz AQNKZYZJKWCGTJ-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130106932 1201502431 /nfs/dbraw/zinc/50/24/31/1201502431.db2.gz AQNKZYZJKWCGTJ-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132937 1201513028 /nfs/dbraw/zinc/51/30/28/1201513028.db2.gz XGRBPMGVGPFILH-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132937 1201513034 /nfs/dbraw/zinc/51/30/34/1201513034.db2.gz XGRBPMGVGPFILH-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)c1ccccc1 ZINC001130184472 1201536793 /nfs/dbraw/zinc/53/67/93/1201536793.db2.gz RPBKMERSYGQJME-BFYDXBDKSA-N 2 1 362.474 0.463 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)c1ccccc1 ZINC001130184472 1201536795 /nfs/dbraw/zinc/53/67/95/1201536795.db2.gz RPBKMERSYGQJME-BFYDXBDKSA-N 2 1 362.474 0.463 20 0 FCADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184713 1201537412 /nfs/dbraw/zinc/53/74/12/1201537412.db2.gz XLDAGSPAFFQFHH-GVDBMIGSSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184713 1201537414 /nfs/dbraw/zinc/53/74/14/1201537414.db2.gz XLDAGSPAFFQFHH-GVDBMIGSSA-N 2 1 370.538 0.742 20 0 FCADMP C[C@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC1 ZINC001130184436 1201537502 /nfs/dbraw/zinc/53/75/02/1201537502.db2.gz QEFVBDQNZADNHS-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC1 ZINC001130184436 1201537503 /nfs/dbraw/zinc/53/75/03/1201537503.db2.gz QEFVBDQNZADNHS-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC[N@H+]1C ZINC001130213046 1201545328 /nfs/dbraw/zinc/54/53/28/1201545328.db2.gz QWUAAQZWPQAWJP-MQYQWHSLSA-N 2 1 368.457 0.193 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC[N@@H+]1C ZINC001130213046 1201545331 /nfs/dbraw/zinc/54/53/31/1201545331.db2.gz QWUAAQZWPQAWJP-MQYQWHSLSA-N 2 1 368.457 0.193 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC[N@H+]1C ZINC001130213046 1201545333 /nfs/dbraw/zinc/54/53/33/1201545333.db2.gz QWUAAQZWPQAWJP-MQYQWHSLSA-N 2 1 368.457 0.193 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)C[NH+](CC)CC)n1 ZINC001130220921 1201550987 /nfs/dbraw/zinc/55/09/87/1201550987.db2.gz QSBCEOZRNKISKW-MJBXVCDLSA-N 2 1 370.473 0.583 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](F)C[NH+](CC)CC)n[nH]1 ZINC001130220921 1201550991 /nfs/dbraw/zinc/55/09/91/1201550991.db2.gz QSBCEOZRNKISKW-MJBXVCDLSA-N 2 1 370.473 0.583 20 0 FCADMP CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234582 1201558294 /nfs/dbraw/zinc/55/82/94/1201558294.db2.gz BQCDMSULEYAVAZ-KKUMJFAQSA-N 2 1 366.510 0.881 20 0 FCADMP CC[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234582 1201558296 /nfs/dbraw/zinc/55/82/96/1201558296.db2.gz BQCDMSULEYAVAZ-KKUMJFAQSA-N 2 1 366.510 0.881 20 0 FCADMP CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1)[NH+](C)C ZINC001130238063 1201562219 /nfs/dbraw/zinc/56/22/19/1201562219.db2.gz REEUHMHARJRNFG-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130246685 1201566324 /nfs/dbraw/zinc/56/63/24/1201566324.db2.gz MUFIZZSTUDJKIL-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001130246685 1201566327 /nfs/dbraw/zinc/56/63/27/1201566327.db2.gz MUFIZZSTUDJKIL-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001130246685 1201566330 /nfs/dbraw/zinc/56/63/30/1201566330.db2.gz MUFIZZSTUDJKIL-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130246685 1201566335 /nfs/dbraw/zinc/56/63/35/1201566335.db2.gz MUFIZZSTUDJKIL-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130246685 1201566338 /nfs/dbraw/zinc/56/63/38/1201566338.db2.gz MUFIZZSTUDJKIL-ILXRZTDVSA-N 2 1 364.494 0.633 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219981228 1224712400 /nfs/dbraw/zinc/71/24/00/1224712400.db2.gz ZXDHCBVOLBBVHC-IKGGRYGDSA-N 3 1 367.538 0.282 20 0 FCADMP CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033474 1224733118 /nfs/dbraw/zinc/73/31/18/1224733118.db2.gz CZBCCVNERCPXIO-LXJOXGFSSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033474 1224733120 /nfs/dbraw/zinc/73/31/20/1224733120.db2.gz CZBCCVNERCPXIO-LXJOXGFSSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033474 1224733124 /nfs/dbraw/zinc/73/31/24/1224733124.db2.gz CZBCCVNERCPXIO-LXJOXGFSSA-N 2 1 365.518 0.837 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614896 1202731383 /nfs/dbraw/zinc/73/13/83/1202731383.db2.gz GOXPZMHMCNZAJD-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672518 1202752381 /nfs/dbraw/zinc/75/23/81/1202752381.db2.gz RCDASSTXBCBVOI-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000806814088 1202776991 /nfs/dbraw/zinc/77/69/91/1202776991.db2.gz IZRUFWJFJTWSPF-QGZVFWFLSA-N 2 1 368.522 0.728 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CCCCC1 ZINC001220072156 1224744869 /nfs/dbraw/zinc/74/48/69/1224744869.db2.gz IFTFAJFOEHAOAF-SJORKVTESA-N 2 1 363.506 0.557 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CCCCC1 ZINC001220072156 1224744875 /nfs/dbraw/zinc/74/48/75/1224744875.db2.gz IFTFAJFOEHAOAF-SJORKVTESA-N 2 1 363.506 0.557 20 0 FCADMP C[N@@H+](CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1)C1CCC1 ZINC001130790191 1202798653 /nfs/dbraw/zinc/79/86/53/1202798653.db2.gz LZQKTEUXXODVMC-UONOGXRCSA-N 2 1 368.457 0.684 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130944104 1202827362 /nfs/dbraw/zinc/82/73/62/1202827362.db2.gz VHABMSZJEQSPFS-BRWVUGGUSA-N 2 1 363.506 0.823 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001131089366 1202861032 /nfs/dbraw/zinc/86/10/32/1202861032.db2.gz CWUKQOLWOQYUEE-IAGOWNOFSA-N 2 1 363.506 0.827 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121311 1202865809 /nfs/dbraw/zinc/86/58/09/1202865809.db2.gz RZPIHNJHMINNNF-NUEKZKHPSA-N 2 1 360.462 0.544 20 0 FCADMP O=C([C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205982 1202877721 /nfs/dbraw/zinc/87/77/21/1202877721.db2.gz AATNWOWSUABDND-DNVCBOLYSA-N 2 1 362.474 0.805 20 0 FCADMP O=C([C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205982 1202877722 /nfs/dbraw/zinc/87/77/22/1202877722.db2.gz AATNWOWSUABDND-DNVCBOLYSA-N 2 1 362.474 0.805 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665013 1202887384 /nfs/dbraw/zinc/88/73/84/1202887384.db2.gz NGANVASVXRAGSI-LZWOXQAQSA-N 2 1 363.462 0.190 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665013 1202887385 /nfs/dbraw/zinc/88/73/85/1202887385.db2.gz NGANVASVXRAGSI-LZWOXQAQSA-N 2 1 363.462 0.190 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001131561966 1202914445 /nfs/dbraw/zinc/91/44/45/1202914445.db2.gz HSJSYEXGVLYYMC-OGWOLHLISA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604670 1202918442 /nfs/dbraw/zinc/91/84/42/1202918442.db2.gz AZPYJWGHJAJLBN-NUJGCVRESA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131596930 1202919053 /nfs/dbraw/zinc/91/90/53/1202919053.db2.gz BKOGNWANHARWFX-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000809733140 1202934842 /nfs/dbraw/zinc/93/48/42/1202934842.db2.gz XFOBKQRJSSYSCO-UHFFFAOYSA-N 2 1 374.485 0.537 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962806 1202938402 /nfs/dbraw/zinc/93/84/02/1202938402.db2.gz KQXPZZDQTRPOPB-LPHOPBHVSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962806 1202938404 /nfs/dbraw/zinc/93/84/04/1202938404.db2.gz KQXPZZDQTRPOPB-LPHOPBHVSA-N 2 1 370.538 0.974 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001086716625 1203011255 /nfs/dbraw/zinc/01/12/55/1203011255.db2.gz JTMLAXVFUZQVRA-LZWOXQAQSA-N 2 1 357.462 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001170877749 1203115184 /nfs/dbraw/zinc/11/51/84/1203115184.db2.gz GQFZZTHFJXXTQK-QLFBSQMISA-N 2 1 366.510 0.603 20 0 FCADMP O=C([C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001143671071 1203323531 /nfs/dbraw/zinc/32/35/31/1203323531.db2.gz QCSIASKCUHOFOQ-AABGKKOBSA-N 2 1 373.497 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254617 1224815312 /nfs/dbraw/zinc/81/53/12/1224815312.db2.gz SUOZDVJUTVYJHG-PMPSAXMXSA-N 2 1 368.522 0.720 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844223114 1204379767 /nfs/dbraw/zinc/37/97/67/1204379767.db2.gz RAPHQNFWVDMXSR-MRXNPFEDSA-N 2 1 358.490 0.589 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315645 1224827167 /nfs/dbraw/zinc/82/71/67/1224827167.db2.gz GJFNLUCFKHMBEU-DYXWJJEUSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315645 1224827169 /nfs/dbraw/zinc/82/71/69/1224827169.db2.gz GJFNLUCFKHMBEU-DYXWJJEUSA-N 2 1 372.513 0.878 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345243 1224836464 /nfs/dbraw/zinc/83/64/64/1224836464.db2.gz SGEFWHKNIRQKDT-KURKYZTESA-N 2 1 365.522 0.727 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345243 1224836466 /nfs/dbraw/zinc/83/64/66/1224836466.db2.gz SGEFWHKNIRQKDT-KURKYZTESA-N 2 1 365.522 0.727 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359714 1224843672 /nfs/dbraw/zinc/84/36/72/1224843672.db2.gz VSNLHBZNUFQJTN-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359714 1224843677 /nfs/dbraw/zinc/84/36/77/1224843677.db2.gz VSNLHBZNUFQJTN-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001220359714 1224843679 /nfs/dbraw/zinc/84/36/79/1224843679.db2.gz VSNLHBZNUFQJTN-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC001144933229 1204660653 /nfs/dbraw/zinc/66/06/53/1204660653.db2.gz MLEZXMTZENEKSN-KRWDZBQOSA-N 2 1 370.457 0.746 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543132 1204707723 /nfs/dbraw/zinc/70/77/23/1204707723.db2.gz CVYNRRRLOSOEAO-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543132 1204707735 /nfs/dbraw/zinc/70/77/35/1204707735.db2.gz CVYNRRRLOSOEAO-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001091543132 1204707741 /nfs/dbraw/zinc/70/77/41/1204707741.db2.gz CVYNRRRLOSOEAO-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@@H]1O)[NH+](C)C ZINC001220380627 1224849786 /nfs/dbraw/zinc/84/97/86/1224849786.db2.gz ATFONTYVTCEBBS-PMPSAXMXSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@@H]1O)[NH+](C)C ZINC001220380627 1224849792 /nfs/dbraw/zinc/84/97/92/1224849792.db2.gz ATFONTYVTCEBBS-PMPSAXMXSA-N 2 1 365.474 0.576 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091677229 1204817868 /nfs/dbraw/zinc/81/78/68/1204817868.db2.gz NDAGYFYUDSIFKH-AOIWGVFYSA-N 2 1 358.490 0.400 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091683387 1204821068 /nfs/dbraw/zinc/82/10/68/1204821068.db2.gz OHQNKADIDNMYCH-YVTWGWGSSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683387 1204821069 /nfs/dbraw/zinc/82/10/69/1204821069.db2.gz OHQNKADIDNMYCH-YVTWGWGSSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683387 1204821071 /nfs/dbraw/zinc/82/10/71/1204821071.db2.gz OHQNKADIDNMYCH-YVTWGWGSSA-N 2 1 362.518 0.728 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738459 1204837638 /nfs/dbraw/zinc/83/76/38/1204837638.db2.gz YXPUHHZOVMRLES-POAQFYNOSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1cnnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754177 1204844172 /nfs/dbraw/zinc/84/41/72/1204844172.db2.gz HMJAATYXUCZJGS-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452782 1204849959 /nfs/dbraw/zinc/84/99/59/1204849959.db2.gz BHFZAXFOSPAJAK-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273454065 1204850857 /nfs/dbraw/zinc/85/08/57/1204850857.db2.gz MAVVULSNDGSDQX-CFVWQIKISA-N 2 1 362.518 0.679 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)C1 ZINC001086875356 1204858629 /nfs/dbraw/zinc/85/86/29/1204858629.db2.gz PJSLIZKEVRHUBI-MELADBBJSA-N 2 1 370.448 0.869 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087000703 1204889428 /nfs/dbraw/zinc/88/94/28/1204889428.db2.gz KZLWUANLZOPKCK-RCCFBDPRSA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001087009587 1204896925 /nfs/dbraw/zinc/89/69/25/1204896925.db2.gz NZTGWKINFZBMSI-BHYGNILZSA-N 2 1 369.473 0.246 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001087009587 1204896926 /nfs/dbraw/zinc/89/69/26/1204896926.db2.gz NZTGWKINFZBMSI-BHYGNILZSA-N 2 1 369.473 0.246 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001087038586 1204916799 /nfs/dbraw/zinc/91/67/99/1204916799.db2.gz NQXDLDGHJCXJEO-KBAYOESNSA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001087038586 1204916806 /nfs/dbraw/zinc/91/68/06/1204916806.db2.gz NQXDLDGHJCXJEO-KBAYOESNSA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087067834 1204956059 /nfs/dbraw/zinc/95/60/59/1204956059.db2.gz XOIOLOWYXZJILI-MOXMWUHRSA-N 2 1 363.502 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083547 1204970005 /nfs/dbraw/zinc/97/00/05/1204970005.db2.gz KEUHWQGCRVQQIZ-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083413 1204971606 /nfs/dbraw/zinc/97/16/06/1204971606.db2.gz CVWOKHKGHBGIBW-NUEKZKHPSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083413 1204971608 /nfs/dbraw/zinc/97/16/08/1204971608.db2.gz CVWOKHKGHBGIBW-NUEKZKHPSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083365 1204971629 /nfs/dbraw/zinc/97/16/29/1204971629.db2.gz BABGOBTZTBEDIB-ARFHVFGLSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083904 1204971917 /nfs/dbraw/zinc/97/19/17/1204971917.db2.gz XHFAMAGQSOGQCV-BRWVUGGUSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087100490 1204998176 /nfs/dbraw/zinc/99/81/76/1204998176.db2.gz VPEUAWQSFHVJRB-GVDBMIGSSA-N 2 1 363.506 0.808 20 0 FCADMP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091855204 1205050908 /nfs/dbraw/zinc/05/09/08/1205050908.db2.gz ZCDNGYLVTSDOMS-UZLBHIALSA-N 2 1 367.453 0.961 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856484 1205051723 /nfs/dbraw/zinc/05/17/23/1205051723.db2.gz STZWRXILUVVLGG-OGWOLHLISA-N 2 1 355.442 0.992 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001091857294 1205052418 /nfs/dbraw/zinc/05/24/18/1205052418.db2.gz CQDLMLMBSMFMHX-APWZRJJASA-N 2 1 356.474 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001091857294 1205052422 /nfs/dbraw/zinc/05/24/22/1205052422.db2.gz CQDLMLMBSMFMHX-APWZRJJASA-N 2 1 356.474 0.948 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091984696 1205094237 /nfs/dbraw/zinc/09/42/37/1205094237.db2.gz AORKMRFTAQGAHF-ZTNFWEORSA-N 2 1 364.534 0.974 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975276 1205105880 /nfs/dbraw/zinc/10/58/80/1205105880.db2.gz NASWVGRJLPPTBG-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013474 1205113377 /nfs/dbraw/zinc/11/33/77/1205113377.db2.gz RTICYSBMIORCDY-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013474 1205113380 /nfs/dbraw/zinc/11/33/80/1205113380.db2.gz RTICYSBMIORCDY-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092013474 1205113383 /nfs/dbraw/zinc/11/33/83/1205113383.db2.gz RTICYSBMIORCDY-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015791 1205114808 /nfs/dbraw/zinc/11/48/08/1205114808.db2.gz WEDGKORQIKXXBA-GUXCAODWSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015791 1205114815 /nfs/dbraw/zinc/11/48/15/1205114815.db2.gz WEDGKORQIKXXBA-GUXCAODWSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015791 1205114820 /nfs/dbraw/zinc/11/48/20/1205114820.db2.gz WEDGKORQIKXXBA-GUXCAODWSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022591 1205120121 /nfs/dbraw/zinc/12/01/21/1205120121.db2.gz YZKMFZGFJRFGPZ-VCBZYWHSSA-N 2 1 364.490 0.256 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092130950 1205169412 /nfs/dbraw/zinc/16/94/12/1205169412.db2.gz JVYOXNLWMWBYAA-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131001 1205169590 /nfs/dbraw/zinc/16/95/90/1205169590.db2.gz MTUWYOXHEJYNNU-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145342 1205171245 /nfs/dbraw/zinc/17/12/45/1205171245.db2.gz KFJPGELBUHDXLS-KHYOSLBOSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092189007 1205187814 /nfs/dbraw/zinc/18/78/14/1205187814.db2.gz WPTAQTZMWRNKDD-XLIONFOSSA-N 2 1 362.518 0.635 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198919 1205194762 /nfs/dbraw/zinc/19/47/62/1205194762.db2.gz BUCJUWWVDKCYIQ-MDZRGWNJSA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198919 1205194763 /nfs/dbraw/zinc/19/47/63/1205194763.db2.gz BUCJUWWVDKCYIQ-MDZRGWNJSA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198919 1205194766 /nfs/dbraw/zinc/19/47/66/1205194766.db2.gz BUCJUWWVDKCYIQ-MDZRGWNJSA-N 2 1 363.506 0.134 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203846 1205197085 /nfs/dbraw/zinc/19/70/85/1205197085.db2.gz ZTDHOVGAPVBZAO-MDZRGWNJSA-N 2 1 360.502 0.483 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092203718 1205197114 /nfs/dbraw/zinc/19/71/14/1205197114.db2.gz IDMBZDVXJYJGOC-LIVBEALHSA-N 2 1 371.485 0.820 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092232919 1205205211 /nfs/dbraw/zinc/20/52/11/1205205211.db2.gz FFCBXXLSZPOSIN-KSMMKXTCSA-N 2 1 359.474 0.708 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273426 1205220465 /nfs/dbraw/zinc/22/04/65/1205220465.db2.gz NUYCRLVAJHEUFT-SCTDSRPQSA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273426 1205220468 /nfs/dbraw/zinc/22/04/68/1205220468.db2.gz NUYCRLVAJHEUFT-SCTDSRPQSA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273426 1205220475 /nfs/dbraw/zinc/22/04/75/1205220475.db2.gz NUYCRLVAJHEUFT-SCTDSRPQSA-N 2 1 360.506 0.627 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273769 1205220913 /nfs/dbraw/zinc/22/09/13/1205220913.db2.gz RDIHZDPWCBBNIM-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273769 1205220915 /nfs/dbraw/zinc/22/09/15/1205220915.db2.gz RDIHZDPWCBBNIM-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273769 1205220917 /nfs/dbraw/zinc/22/09/17/1205220917.db2.gz RDIHZDPWCBBNIM-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273465 1205221119 /nfs/dbraw/zinc/22/11/19/1205221119.db2.gz NZFBIRKNCJUIOE-YRNRMSPPSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273465 1205221122 /nfs/dbraw/zinc/22/11/22/1205221122.db2.gz NZFBIRKNCJUIOE-YRNRMSPPSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092273465 1205221125 /nfs/dbraw/zinc/22/11/25/1205221125.db2.gz NZFBIRKNCJUIOE-YRNRMSPPSA-N 2 1 362.518 0.777 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273440 1205221459 /nfs/dbraw/zinc/22/14/59/1205221459.db2.gz NVZWHLKSBQPRPL-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273440 1205221460 /nfs/dbraw/zinc/22/14/60/1205221460.db2.gz NVZWHLKSBQPRPL-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273440 1205221461 /nfs/dbraw/zinc/22/14/61/1205221461.db2.gz NVZWHLKSBQPRPL-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278012 1205224738 /nfs/dbraw/zinc/22/47/38/1205224738.db2.gz BZPRNKDZLHUPME-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278012 1205224741 /nfs/dbraw/zinc/22/47/41/1205224741.db2.gz BZPRNKDZLHUPME-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092278386 1205224825 /nfs/dbraw/zinc/22/48/25/1205224825.db2.gz NGMDSITYFUYLIC-GJYPPUQNSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092278386 1205224829 /nfs/dbraw/zinc/22/48/29/1205224829.db2.gz NGMDSITYFUYLIC-GJYPPUQNSA-N 2 1 369.473 0.751 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292292 1205256341 /nfs/dbraw/zinc/25/63/41/1205256341.db2.gz QMCVTTXVRRHPNI-LMMKCTJWSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292292 1205256350 /nfs/dbraw/zinc/25/63/50/1205256350.db2.gz QMCVTTXVRRHPNI-LMMKCTJWSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292292 1205256353 /nfs/dbraw/zinc/25/63/53/1205256353.db2.gz QMCVTTXVRRHPNI-LMMKCTJWSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292292 1205256358 /nfs/dbraw/zinc/25/63/58/1205256358.db2.gz QMCVTTXVRRHPNI-LMMKCTJWSA-N 2 1 361.490 0.421 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504687 1205296983 /nfs/dbraw/zinc/29/69/83/1205296983.db2.gz WKFDRCSTAYSHGF-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504687 1205296985 /nfs/dbraw/zinc/29/69/85/1205296985.db2.gz WKFDRCSTAYSHGF-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504687 1205296988 /nfs/dbraw/zinc/29/69/88/1205296988.db2.gz WKFDRCSTAYSHGF-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504687 1205296989 /nfs/dbraw/zinc/29/69/89/1205296989.db2.gz WKFDRCSTAYSHGF-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604316 1205317830 /nfs/dbraw/zinc/31/78/30/1205317830.db2.gz GDTOXYVVJFOFDF-RBSFLKMASA-N 2 1 364.494 0.165 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604316 1205317833 /nfs/dbraw/zinc/31/78/33/1205317833.db2.gz GDTOXYVVJFOFDF-RBSFLKMASA-N 2 1 364.494 0.165 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604316 1205317834 /nfs/dbraw/zinc/31/78/34/1205317834.db2.gz GDTOXYVVJFOFDF-RBSFLKMASA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615802 1205329191 /nfs/dbraw/zinc/32/91/91/1205329191.db2.gz PXUCBWBQOCHQMW-BRWVUGGUSA-N 2 1 363.506 0.779 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675592 1205336414 /nfs/dbraw/zinc/33/64/14/1205336414.db2.gz JUCRNJWFXHYEMK-IIAWOOMASA-N 2 1 359.474 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675592 1205336416 /nfs/dbraw/zinc/33/64/16/1205336416.db2.gz JUCRNJWFXHYEMK-IIAWOOMASA-N 2 1 359.474 0.723 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773972 1205353828 /nfs/dbraw/zinc/35/38/28/1205353828.db2.gz CUJYOLZQYRBHCW-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773973 1205354144 /nfs/dbraw/zinc/35/41/44/1205354144.db2.gz CUJYOLZQYRBHCW-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838789 1205356914 /nfs/dbraw/zinc/35/69/14/1205356914.db2.gz VOOBBCIOMOAEFN-YACWJRGASA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838789 1205356918 /nfs/dbraw/zinc/35/69/18/1205356918.db2.gz VOOBBCIOMOAEFN-YACWJRGASA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnon2)C[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001092838789 1205356922 /nfs/dbraw/zinc/35/69/22/1205356922.db2.gz VOOBBCIOMOAEFN-YACWJRGASA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnon2)C[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001092838789 1205356925 /nfs/dbraw/zinc/35/69/25/1205356925.db2.gz VOOBBCIOMOAEFN-YACWJRGASA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)cc2)CC1 ZINC001220515664 1224899103 /nfs/dbraw/zinc/89/91/03/1224899103.db2.gz IQUIZMRZVZWWKS-KAVNZZFMSA-N 2 1 359.474 0.398 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911648 1205940461 /nfs/dbraw/zinc/94/04/61/1205940461.db2.gz WGLUNHYDCNTUMQ-INMHGKMJSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911648 1205940464 /nfs/dbraw/zinc/94/04/64/1205940464.db2.gz WGLUNHYDCNTUMQ-INMHGKMJSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911648 1205940465 /nfs/dbraw/zinc/94/04/65/1205940465.db2.gz WGLUNHYDCNTUMQ-INMHGKMJSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092919626 1205945796 /nfs/dbraw/zinc/94/57/96/1205945796.db2.gz VJWLZBRVKIHSJR-DJIMGWMZSA-N 2 1 371.489 0.730 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092919626 1205945801 /nfs/dbraw/zinc/94/58/01/1205945801.db2.gz VJWLZBRVKIHSJR-DJIMGWMZSA-N 2 1 371.489 0.730 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC001092934509 1205962085 /nfs/dbraw/zinc/96/20/85/1205962085.db2.gz CLJHHOOHCDBEIV-RDTXWAMCSA-N 2 1 362.522 0.921 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092967905 1205968070 /nfs/dbraw/zinc/96/80/70/1205968070.db2.gz JDIVCRMQCKIGFA-MGPQQGTHSA-N 2 1 363.462 0.442 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092967905 1205968073 /nfs/dbraw/zinc/96/80/73/1205968073.db2.gz JDIVCRMQCKIGFA-MGPQQGTHSA-N 2 1 363.462 0.442 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545860 1224919152 /nfs/dbraw/zinc/91/91/52/1224919152.db2.gz RRMPUONPSQYCPQ-MSOLQXFVSA-N 2 1 365.474 0.186 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545860 1224919156 /nfs/dbraw/zinc/91/91/56/1224919156.db2.gz RRMPUONPSQYCPQ-MSOLQXFVSA-N 2 1 365.474 0.186 20 0 FCADMP CCn1c(C)nnc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133035 1206032460 /nfs/dbraw/zinc/03/24/60/1206032460.db2.gz MMKJXHJJHOEDQY-GDBMZVCRSA-N 2 1 360.506 0.886 20 0 FCADMP CCn1c(C)nnc1C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133035 1206032464 /nfs/dbraw/zinc/03/24/64/1206032464.db2.gz MMKJXHJJHOEDQY-GDBMZVCRSA-N 2 1 360.506 0.886 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132989 1206032635 /nfs/dbraw/zinc/03/26/35/1206032635.db2.gz JVTFXLTWEJONNZ-GDBMZVCRSA-N 2 1 360.506 0.886 20 0 FCADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220552493 1224924809 /nfs/dbraw/zinc/92/48/09/1224924809.db2.gz WDNQSCTZKZUADZ-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220552493 1224924813 /nfs/dbraw/zinc/92/48/13/1224924813.db2.gz WDNQSCTZKZUADZ-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193819 1206052206 /nfs/dbraw/zinc/05/22/06/1206052206.db2.gz MQTVGIDUZBJGMC-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193819 1206052211 /nfs/dbraw/zinc/05/22/11/1206052211.db2.gz MQTVGIDUZBJGMC-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193819 1206052215 /nfs/dbraw/zinc/05/22/15/1206052215.db2.gz MQTVGIDUZBJGMC-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193987 1206052266 /nfs/dbraw/zinc/05/22/66/1206052266.db2.gz SISBYYLGUAGRHE-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193987 1206052271 /nfs/dbraw/zinc/05/22/71/1206052271.db2.gz SISBYYLGUAGRHE-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193987 1206052276 /nfs/dbraw/zinc/05/22/76/1206052276.db2.gz SISBYYLGUAGRHE-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193987 1206052281 /nfs/dbraw/zinc/05/22/81/1206052281.db2.gz SISBYYLGUAGRHE-RBSFLKMASA-N 2 1 363.510 0.564 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1O ZINC001220553601 1224926260 /nfs/dbraw/zinc/92/62/60/1224926260.db2.gz MLHDUZITROTYAM-MOPGFXCFSA-N 2 1 361.486 0.503 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1O ZINC001220553601 1224926269 /nfs/dbraw/zinc/92/62/69/1224926269.db2.gz MLHDUZITROTYAM-MOPGFXCFSA-N 2 1 361.486 0.503 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093286649 1206072834 /nfs/dbraw/zinc/07/28/34/1206072834.db2.gz CYJBIPXGRHDTAA-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001093672687 1206099706 /nfs/dbraw/zinc/09/97/06/1206099706.db2.gz AIOVVUTYPWMJKE-KFWWJZLASA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001093672687 1206099710 /nfs/dbraw/zinc/09/97/10/1206099710.db2.gz AIOVVUTYPWMJKE-KFWWJZLASA-N 2 1 363.510 0.706 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690817 1206101190 /nfs/dbraw/zinc/10/11/90/1206101190.db2.gz GHFNZIQZVOYVCP-UNEWFSDZSA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690817 1206101192 /nfs/dbraw/zinc/10/11/92/1206101192.db2.gz GHFNZIQZVOYVCP-UNEWFSDZSA-N 2 1 364.494 0.121 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001093780946 1206114637 /nfs/dbraw/zinc/11/46/37/1206114637.db2.gz MMNGIIRVLHDFQL-KLHDSHLOSA-N 2 1 363.510 0.607 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)CC[N@H+]1C ZINC001093780961 1206114901 /nfs/dbraw/zinc/11/49/01/1206114901.db2.gz NJKSLNLNDVJSEY-KLHDSHLOSA-N 2 1 366.485 0.772 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)n1 ZINC001093825625 1206123889 /nfs/dbraw/zinc/12/38/89/1206123889.db2.gz MWNQRQTVHOLBSD-ZIAGYGMSSA-N 2 1 365.478 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093864002 1206136961 /nfs/dbraw/zinc/13/69/61/1206136961.db2.gz DRAKGDPBXFQMHT-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093864687 1206137117 /nfs/dbraw/zinc/13/71/17/1206137117.db2.gz SUHXFJBNMONSGR-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093857255 1206145888 /nfs/dbraw/zinc/14/58/88/1206145888.db2.gz XNPCZPUJIGHYCV-HUUCEWRRSA-N 2 1 361.494 0.270 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001093920975 1206149971 /nfs/dbraw/zinc/14/99/71/1206149971.db2.gz DWNAZXHBPSAOQY-UKRRQHHQSA-N 2 1 363.441 0.637 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001093992383 1206165615 /nfs/dbraw/zinc/16/56/15/1206165615.db2.gz QFKZBBJPYSHFOD-FVQBIDKESA-N 2 1 364.494 0.406 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001093992383 1206165617 /nfs/dbraw/zinc/16/56/17/1206165617.db2.gz QFKZBBJPYSHFOD-FVQBIDKESA-N 2 1 364.494 0.406 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093994801 1206166188 /nfs/dbraw/zinc/16/61/88/1206166188.db2.gz PUMQBJOGPHOSKM-CBBWQLFWSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1nncn1C ZINC001094111060 1206185437 /nfs/dbraw/zinc/18/54/37/1206185437.db2.gz WZJCFALFWCVAKO-OWCLPIDISA-N 2 1 364.494 0.283 20 0 FCADMP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1=O ZINC001094111148 1206185654 /nfs/dbraw/zinc/18/56/54/1206185654.db2.gz ZVWVRKSVEVJNOK-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)nc1 ZINC001094113842 1206186623 /nfs/dbraw/zinc/18/66/23/1206186623.db2.gz FQIMKZQJBBVNTB-IAGOWNOFSA-N 2 1 361.490 0.691 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094220533 1206203240 /nfs/dbraw/zinc/20/32/40/1206203240.db2.gz FKDJSXJRGHILAL-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)no1 ZINC001094220877 1206203269 /nfs/dbraw/zinc/20/32/69/1206203269.db2.gz ATKHUIWBPQJURU-HUUCEWRRSA-N 2 1 365.478 0.538 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001094219843 1206203521 /nfs/dbraw/zinc/20/35/21/1206203521.db2.gz TZDFMOUJFFWLPA-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001094219843 1206203525 /nfs/dbraw/zinc/20/35/25/1206203525.db2.gz TZDFMOUJFFWLPA-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001094221290 1206203974 /nfs/dbraw/zinc/20/39/74/1206203974.db2.gz DOZFBXIWLIDHCJ-UKRRQHHQSA-N 2 1 360.466 0.643 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001094232320 1206208595 /nfs/dbraw/zinc/20/85/95/1206208595.db2.gz ROCPLEISNCUNRB-BZUAXINKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001094232320 1206208596 /nfs/dbraw/zinc/20/85/96/1206208596.db2.gz ROCPLEISNCUNRB-BZUAXINKSA-N 2 1 364.494 0.203 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)C1 ZINC001094234097 1206208959 /nfs/dbraw/zinc/20/89/59/1206208959.db2.gz KMKDLFFDXSHZHM-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)C1 ZINC001094234097 1206208960 /nfs/dbraw/zinc/20/89/60/1206208960.db2.gz KMKDLFFDXSHZHM-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495358 1206232184 /nfs/dbraw/zinc/23/21/84/1206232184.db2.gz KFRBMJSDJYQVIM-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495358 1206232187 /nfs/dbraw/zinc/23/21/87/1206232187.db2.gz KFRBMJSDJYQVIM-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495358 1206232189 /nfs/dbraw/zinc/23/21/89/1206232189.db2.gz KFRBMJSDJYQVIM-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCC4CC4)C3)C2)CC[N@H+]1C ZINC001094741098 1206245913 /nfs/dbraw/zinc/24/59/13/1206245913.db2.gz YEOHQZPNVYTLAR-BPQIPLTHSA-N 2 1 362.518 0.918 20 0 FCADMP CCn1nncc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498440 1206249638 /nfs/dbraw/zinc/24/96/38/1206249638.db2.gz CGQGKJJZOOZVIT-BFYDXBDKSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1nncc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498440 1206249642 /nfs/dbraw/zinc/24/96/42/1206249642.db2.gz CGQGKJJZOOZVIT-BFYDXBDKSA-N 2 1 366.510 0.782 20 0 FCADMP c1cc(-c2noc(C3=NO[C@H]4C[NH2+]C[C@@H]34)n2)ccc1C[NH+]1CCOCC1 ZINC001212628348 1206252430 /nfs/dbraw/zinc/25/24/30/1206252430.db2.gz ANNVXGZURMXQEH-CABCVRRESA-N 2 1 355.398 0.891 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1=O ZINC001172044464 1206256162 /nfs/dbraw/zinc/25/61/62/1206256162.db2.gz UHDMDBAGMXZFKX-MRXNPFEDSA-N 2 1 372.517 0.640 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1=O ZINC001172044464 1206256163 /nfs/dbraw/zinc/25/61/63/1206256163.db2.gz UHDMDBAGMXZFKX-MRXNPFEDSA-N 2 1 372.517 0.640 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C2 ZINC001172109067 1206257604 /nfs/dbraw/zinc/25/76/04/1206257604.db2.gz AOZAMLDKTQQIED-FJIDUMEYSA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C2 ZINC001172109067 1206257611 /nfs/dbraw/zinc/25/76/11/1206257611.db2.gz AOZAMLDKTQQIED-FJIDUMEYSA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175680 1206259110 /nfs/dbraw/zinc/25/91/10/1206259110.db2.gz VEPYEFPYWBDYDO-ZBRFXRBCSA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175680 1206259111 /nfs/dbraw/zinc/25/91/11/1206259111.db2.gz VEPYEFPYWBDYDO-ZBRFXRBCSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175680 1206259112 /nfs/dbraw/zinc/25/91/12/1206259112.db2.gz VEPYEFPYWBDYDO-ZBRFXRBCSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175680 1206259114 /nfs/dbraw/zinc/25/91/14/1206259114.db2.gz VEPYEFPYWBDYDO-ZBRFXRBCSA-N 2 1 358.490 0.826 20 0 FCADMP CC[N@H+]1CC[C@@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1 ZINC001173362350 1206269098 /nfs/dbraw/zinc/26/90/98/1206269098.db2.gz DZHXLMHLRPWBIX-AEFFLSMTSA-N 2 1 362.522 0.921 20 0 FCADMP CCOC(=O)[C@@H]1CC12CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC2 ZINC001173604465 1206283264 /nfs/dbraw/zinc/28/32/64/1206283264.db2.gz REMBSQALSJBLEE-HPGRBHQUSA-N 2 1 368.478 0.893 20 0 FCADMP CCOCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178518339 1206358434 /nfs/dbraw/zinc/35/84/34/1206358434.db2.gz MDBDJOVJLYNYTI-IAGOWNOFSA-N 2 1 370.538 0.746 20 0 FCADMP CCn1ncc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001178810606 1206365469 /nfs/dbraw/zinc/36/54/69/1206365469.db2.gz IJRUSPQZZSEFAH-NVXWUHKLSA-N 2 1 366.510 0.783 20 0 FCADMP CCn1ncc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001178810606 1206365472 /nfs/dbraw/zinc/36/54/72/1206365472.db2.gz IJRUSPQZZSEFAH-NVXWUHKLSA-N 2 1 366.510 0.783 20 0 FCADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]2C ZINC001178950135 1206368725 /nfs/dbraw/zinc/36/87/25/1206368725.db2.gz YEVPKORMJVTOGF-MRXNPFEDSA-N 2 1 362.522 0.874 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]2C ZINC001178950135 1206368726 /nfs/dbraw/zinc/36/87/26/1206368726.db2.gz YEVPKORMJVTOGF-MRXNPFEDSA-N 2 1 362.522 0.874 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981948 1206369050 /nfs/dbraw/zinc/36/90/50/1206369050.db2.gz HRAULWHVIXWZGP-YQFWSFKMSA-N 2 1 368.522 0.589 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981948 1206369053 /nfs/dbraw/zinc/36/90/53/1206369053.db2.gz HRAULWHVIXWZGP-YQFWSFKMSA-N 2 1 368.522 0.589 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220584849 1224950162 /nfs/dbraw/zinc/95/01/62/1224950162.db2.gz MHPBAENNBWKTQU-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220584849 1224950165 /nfs/dbraw/zinc/95/01/65/1224950165.db2.gz MHPBAENNBWKTQU-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001181896927 1206416954 /nfs/dbraw/zinc/41/69/54/1206416954.db2.gz SSZXWDZFXBEQNU-YKTARERQSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001181896927 1206416956 /nfs/dbraw/zinc/41/69/56/1206416956.db2.gz SSZXWDZFXBEQNU-YKTARERQSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001182032249 1206419303 /nfs/dbraw/zinc/41/93/03/1206419303.db2.gz SYMYQYKZRCBLRF-MSOLQXFVSA-N 2 1 374.485 0.340 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CCc1ccc(N)nc1)CC2 ZINC001183931202 1206462002 /nfs/dbraw/zinc/46/20/02/1206462002.db2.gz AAPSMTXSAIHJLU-UHFFFAOYSA-N 2 1 359.474 0.799 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000774814401 1206474732 /nfs/dbraw/zinc/47/47/32/1206474732.db2.gz HYHIZDLKTQUZNO-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)O1 ZINC001185240063 1206476257 /nfs/dbraw/zinc/47/62/57/1206476257.db2.gz BLKYJGZWIAIBSU-FAJBIJEISA-N 2 1 365.474 0.320 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)O1 ZINC001185240063 1206476260 /nfs/dbraw/zinc/47/62/60/1206476260.db2.gz BLKYJGZWIAIBSU-FAJBIJEISA-N 2 1 365.474 0.320 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001186116819 1206493937 /nfs/dbraw/zinc/49/39/37/1206493937.db2.gz OBBPKQLGVXXLQQ-KKUMJFAQSA-N 2 1 361.446 0.574 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001186116819 1206493939 /nfs/dbraw/zinc/49/39/39/1206493939.db2.gz OBBPKQLGVXXLQQ-KKUMJFAQSA-N 2 1 361.446 0.574 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944966 1207403519 /nfs/dbraw/zinc/40/35/19/1207403519.db2.gz RDIJISNFSXDHFL-GVDBMIGSSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944966 1207403522 /nfs/dbraw/zinc/40/35/22/1207403522.db2.gz RDIJISNFSXDHFL-GVDBMIGSSA-N 2 1 362.518 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944310 1207404042 /nfs/dbraw/zinc/40/40/42/1207404042.db2.gz FOCCKWYFGPLRHE-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944310 1207404046 /nfs/dbraw/zinc/40/40/46/1207404046.db2.gz FOCCKWYFGPLRHE-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001187958035 1207404688 /nfs/dbraw/zinc/40/46/88/1207404688.db2.gz FRUNKABEFUMBSJ-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001187958035 1207404697 /nfs/dbraw/zinc/40/46/97/1207404697.db2.gz FRUNKABEFUMBSJ-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001189055010 1207498504 /nfs/dbraw/zinc/49/85/04/1207498504.db2.gz MJOVACSUSQHLHL-YQVWRLOYSA-N 2 1 361.486 0.911 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025657 1207500567 /nfs/dbraw/zinc/50/05/67/1207500567.db2.gz DBPGROGFUMBXLB-QLFBSQMISA-N 2 1 367.494 0.094 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025657 1207500571 /nfs/dbraw/zinc/50/05/71/1207500571.db2.gz DBPGROGFUMBXLB-QLFBSQMISA-N 2 1 367.494 0.094 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189424979 1207548359 /nfs/dbraw/zinc/54/83/59/1207548359.db2.gz HACPIKJSEOXQMC-IPMKNSEASA-N 2 1 361.486 0.902 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189543537 1207565100 /nfs/dbraw/zinc/56/51/00/1207565100.db2.gz FSMIXPMMLVAXHM-FUHWJXTLSA-N 2 1 369.506 0.293 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189653223 1207584061 /nfs/dbraw/zinc/58/40/61/1207584061.db2.gz RNZLUQLKQXRABW-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189653223 1207584062 /nfs/dbraw/zinc/58/40/62/1207584062.db2.gz RNZLUQLKQXRABW-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189653223 1207584064 /nfs/dbraw/zinc/58/40/64/1207584064.db2.gz RNZLUQLKQXRABW-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189653223 1207584067 /nfs/dbraw/zinc/58/40/67/1207584067.db2.gz RNZLUQLKQXRABW-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913444 1207619575 /nfs/dbraw/zinc/61/95/75/1207619575.db2.gz QYDYYHOFBGYMBE-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913444 1207619578 /nfs/dbraw/zinc/61/95/78/1207619578.db2.gz QYDYYHOFBGYMBE-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913444 1207619580 /nfs/dbraw/zinc/61/95/80/1207619580.db2.gz QYDYYHOFBGYMBE-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913444 1207619583 /nfs/dbraw/zinc/61/95/83/1207619583.db2.gz QYDYYHOFBGYMBE-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913444 1207619584 /nfs/dbraw/zinc/61/95/84/1207619584.db2.gz QYDYYHOFBGYMBE-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486374 1207688141 /nfs/dbraw/zinc/68/81/41/1207688141.db2.gz CUJSZCCMMGAJGD-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486374 1207688146 /nfs/dbraw/zinc/68/81/46/1207688146.db2.gz CUJSZCCMMGAJGD-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486374 1207688150 /nfs/dbraw/zinc/68/81/50/1207688150.db2.gz CUJSZCCMMGAJGD-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486374 1207688152 /nfs/dbraw/zinc/68/81/52/1207688152.db2.gz CUJSZCCMMGAJGD-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220688972 1225015241 /nfs/dbraw/zinc/01/52/41/1225015241.db2.gz XVCGIDSFERUNEQ-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220688972 1225015254 /nfs/dbraw/zinc/01/52/54/1225015254.db2.gz XVCGIDSFERUNEQ-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220688972 1225015264 /nfs/dbraw/zinc/01/52/64/1225015264.db2.gz XVCGIDSFERUNEQ-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP Cc1noc(CCC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001190901635 1207731453 /nfs/dbraw/zinc/73/14/53/1207731453.db2.gz ZWCZXYXAERVDMT-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001190901635 1207731455 /nfs/dbraw/zinc/73/14/55/1207731455.db2.gz ZWCZXYXAERVDMT-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001190901635 1207731459 /nfs/dbraw/zinc/73/14/59/1207731459.db2.gz ZWCZXYXAERVDMT-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001190901635 1207731463 /nfs/dbraw/zinc/73/14/63/1207731463.db2.gz ZWCZXYXAERVDMT-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2)cn1 ZINC001193447572 1207873396 /nfs/dbraw/zinc/87/33/96/1207873396.db2.gz SGCOKOJWBHNQPV-GVDBMIGSSA-N 2 1 369.485 0.287 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2)cn1 ZINC001193447572 1207873397 /nfs/dbraw/zinc/87/33/97/1207873397.db2.gz SGCOKOJWBHNQPV-GVDBMIGSSA-N 2 1 369.485 0.287 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756411 1207890286 /nfs/dbraw/zinc/89/02/86/1207890286.db2.gz QQKGGZPJVAFYPC-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756411 1207890287 /nfs/dbraw/zinc/89/02/87/1207890287.db2.gz QQKGGZPJVAFYPC-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193756411 1207890288 /nfs/dbraw/zinc/89/02/88/1207890288.db2.gz QQKGGZPJVAFYPC-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193756411 1207890290 /nfs/dbraw/zinc/89/02/90/1207890290.db2.gz QQKGGZPJVAFYPC-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CCC1 ZINC001193766219 1207890884 /nfs/dbraw/zinc/89/08/84/1207890884.db2.gz PSGFBZDLKLCGPI-KZNAEPCWSA-N 2 1 361.486 0.236 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@H]1O)[NH+](C)C ZINC001194095624 1207918266 /nfs/dbraw/zinc/91/82/66/1207918266.db2.gz JAJOXZPOMQYNSO-KZNAEPCWSA-N 2 1 365.474 0.576 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194299216 1207930071 /nfs/dbraw/zinc/93/00/71/1207930071.db2.gz SNHJWMZHNQSSRS-QZTJIDSGSA-N 2 1 362.474 0.496 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603906 1207964812 /nfs/dbraw/zinc/96/48/12/1207964812.db2.gz MXNXXKRTMDTCPK-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001195013915 1207985764 /nfs/dbraw/zinc/98/57/64/1207985764.db2.gz NCDHCJXRKRCOBP-PKOBYXMFSA-N 2 1 361.486 0.361 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001195013915 1207985768 /nfs/dbraw/zinc/98/57/68/1207985768.db2.gz NCDHCJXRKRCOBP-PKOBYXMFSA-N 2 1 361.486 0.361 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)CC1 ZINC001195676684 1208032307 /nfs/dbraw/zinc/03/23/07/1208032307.db2.gz IIFITLDZCGNNNA-IAGOWNOFSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)CC1 ZINC001195676684 1208032311 /nfs/dbraw/zinc/03/23/11/1208032311.db2.gz IIFITLDZCGNNNA-IAGOWNOFSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001195708211 1208035702 /nfs/dbraw/zinc/03/57/02/1208035702.db2.gz IKOZYFNUEXWUEW-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419389 1208038132 /nfs/dbraw/zinc/03/81/32/1208038132.db2.gz ZIRJNVINSFAOMQ-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419389 1208038136 /nfs/dbraw/zinc/03/81/36/1208038136.db2.gz ZIRJNVINSFAOMQ-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419389 1208038139 /nfs/dbraw/zinc/03/81/39/1208038139.db2.gz ZIRJNVINSFAOMQ-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCOc2ccccc2)C[C@H]1O ZINC001195870740 1208044863 /nfs/dbraw/zinc/04/48/63/1208044863.db2.gz LDUWZFHRSBFBFO-QZTJIDSGSA-N 2 1 365.474 0.195 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O)[NH+](CC)CC ZINC001196122866 1208059100 /nfs/dbraw/zinc/05/91/00/1208059100.db2.gz HYSXRAKMLGWFEF-BZUAXINKSA-N 2 1 367.494 0.592 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O)[NH+](CC)CC ZINC001196122866 1208059103 /nfs/dbraw/zinc/05/91/03/1208059103.db2.gz HYSXRAKMLGWFEF-BZUAXINKSA-N 2 1 367.494 0.592 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184881 1208064518 /nfs/dbraw/zinc/06/45/18/1208064518.db2.gz JKOBSPGVRGRXRX-KFKAGJAMSA-N 2 1 363.502 0.727 20 0 FCADMP COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cn1 ZINC001196199230 1208064816 /nfs/dbraw/zinc/06/48/16/1208064816.db2.gz FFWCHCCFDQWCJP-HZPDHXFCSA-N 2 1 364.490 0.729 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196215231 1208067193 /nfs/dbraw/zinc/06/71/93/1208067193.db2.gz XJTJSPNEFLSNSV-IPMKNSEASA-N 2 1 361.486 0.359 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196215231 1208067196 /nfs/dbraw/zinc/06/71/96/1208067196.db2.gz XJTJSPNEFLSNSV-IPMKNSEASA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196215231 1208067200 /nfs/dbraw/zinc/06/72/00/1208067200.db2.gz XJTJSPNEFLSNSV-IPMKNSEASA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196215231 1208067203 /nfs/dbraw/zinc/06/72/03/1208067203.db2.gz XJTJSPNEFLSNSV-IPMKNSEASA-N 2 1 361.486 0.359 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001196215230 1208067734 /nfs/dbraw/zinc/06/77/34/1208067734.db2.gz XJTJSPNEFLSNSV-GUDVDZBRSA-N 2 1 361.486 0.359 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O ZINC001196215230 1208067738 /nfs/dbraw/zinc/06/77/38/1208067738.db2.gz XJTJSPNEFLSNSV-GUDVDZBRSA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196215230 1208067744 /nfs/dbraw/zinc/06/77/44/1208067744.db2.gz XJTJSPNEFLSNSV-GUDVDZBRSA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196215230 1208067747 /nfs/dbraw/zinc/06/77/47/1208067747.db2.gz XJTJSPNEFLSNSV-GUDVDZBRSA-N 2 1 361.486 0.359 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268856 1208069426 /nfs/dbraw/zinc/06/94/26/1208069426.db2.gz MXCBQADJAVVUOY-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268856 1208069429 /nfs/dbraw/zinc/06/94/29/1208069429.db2.gz MXCBQADJAVVUOY-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268857 1208069885 /nfs/dbraw/zinc/06/98/85/1208069885.db2.gz MXCBQADJAVVUOY-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268857 1208069887 /nfs/dbraw/zinc/06/98/87/1208069887.db2.gz MXCBQADJAVVUOY-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196940923 1208124195 /nfs/dbraw/zinc/12/41/95/1208124195.db2.gz WDNQSCTZKZUADZ-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196940923 1208124197 /nfs/dbraw/zinc/12/41/97/1208124197.db2.gz WDNQSCTZKZUADZ-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O ZINC001197000292 1208127868 /nfs/dbraw/zinc/12/78/68/1208127868.db2.gz CCLAQFKVGPZAFD-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001197000292 1208127872 /nfs/dbraw/zinc/12/78/72/1208127872.db2.gz CCLAQFKVGPZAFD-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001197000292 1208127875 /nfs/dbraw/zinc/12/78/75/1208127875.db2.gz CCLAQFKVGPZAFD-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001197000292 1208127882 /nfs/dbraw/zinc/12/78/82/1208127882.db2.gz CCLAQFKVGPZAFD-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O)C(C)C ZINC001197018153 1208132396 /nfs/dbraw/zinc/13/23/96/1208132396.db2.gz NTZSDUFBXMCOLC-KURKYZTESA-N 2 1 365.522 0.490 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001197644192 1208181109 /nfs/dbraw/zinc/18/11/09/1208181109.db2.gz JXFWXTNTVRIXDG-RTBURBONSA-N 2 1 365.518 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001197644192 1208181111 /nfs/dbraw/zinc/18/11/11/1208181111.db2.gz JXFWXTNTVRIXDG-RTBURBONSA-N 2 1 365.518 0.696 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197784516 1208196682 /nfs/dbraw/zinc/19/66/82/1208196682.db2.gz YCRYZJRHFVCFID-QZTJIDSGSA-N 2 1 365.474 0.073 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197784516 1208196685 /nfs/dbraw/zinc/19/66/85/1208196685.db2.gz YCRYZJRHFVCFID-QZTJIDSGSA-N 2 1 365.474 0.073 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1O ZINC001197825009 1208201645 /nfs/dbraw/zinc/20/16/45/1208201645.db2.gz AHHDMSIBQBSEDD-CEXWTWQISA-N 2 1 361.486 0.804 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197941280 1208207979 /nfs/dbraw/zinc/20/79/79/1208207979.db2.gz IQIPXIRBBAIOAJ-IAGOWNOFSA-N 2 1 362.474 0.179 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197941280 1208207981 /nfs/dbraw/zinc/20/79/81/1208207981.db2.gz IQIPXIRBBAIOAJ-IAGOWNOFSA-N 2 1 362.474 0.179 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220740953 1225049204 /nfs/dbraw/zinc/04/92/04/1225049204.db2.gz ZAEZWVVTSJVZDZ-MSOLQXFVSA-N 2 1 365.522 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652786 1208276893 /nfs/dbraw/zinc/27/68/93/1208276893.db2.gz BRQZGVNVXUZSPC-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652786 1208276896 /nfs/dbraw/zinc/27/68/96/1208276896.db2.gz BRQZGVNVXUZSPC-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652786 1208276899 /nfs/dbraw/zinc/27/68/99/1208276899.db2.gz BRQZGVNVXUZSPC-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001199071224 1208316667 /nfs/dbraw/zinc/31/66/67/1208316667.db2.gz ORPRKZINWXWCES-GUDVDZBRSA-N 2 1 361.486 0.757 20 0 FCADMP COc1cccc([C@@H](O)CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001199111623 1208321268 /nfs/dbraw/zinc/32/12/68/1208321268.db2.gz DSZHLTYQEVMMMJ-FGTMMUONSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199111623 1208321270 /nfs/dbraw/zinc/32/12/70/1208321270.db2.gz DSZHLTYQEVMMMJ-FGTMMUONSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199111623 1208321271 /nfs/dbraw/zinc/32/12/71/1208321271.db2.gz DSZHLTYQEVMMMJ-FGTMMUONSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001199111623 1208321273 /nfs/dbraw/zinc/32/12/73/1208321273.db2.gz DSZHLTYQEVMMMJ-FGTMMUONSA-N 2 1 365.474 0.230 20 0 FCADMP CN(CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)Cc1ccccc1 ZINC001199383951 1208344489 /nfs/dbraw/zinc/34/44/89/1208344489.db2.gz ARRCSXPYPKLUHD-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O)Cc1ccccc1 ZINC001199383951 1208344491 /nfs/dbraw/zinc/34/44/91/1208344491.db2.gz ARRCSXPYPKLUHD-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O)Cc1ccccc1 ZINC001199383951 1208344493 /nfs/dbraw/zinc/34/44/93/1208344493.db2.gz ARRCSXPYPKLUHD-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)Cc1ccccc1 ZINC001199383951 1208344496 /nfs/dbraw/zinc/34/44/96/1208344496.db2.gz ARRCSXPYPKLUHD-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)Cc1ccccc1 ZINC001199383951 1208344498 /nfs/dbraw/zinc/34/44/98/1208344498.db2.gz ARRCSXPYPKLUHD-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@H]1O ZINC001220764132 1225060920 /nfs/dbraw/zinc/06/09/20/1225060920.db2.gz AHHDMSIBQBSEDD-QYZOEREBSA-N 2 1 361.486 0.804 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001220764752 1225061086 /nfs/dbraw/zinc/06/10/86/1225061086.db2.gz VLPYUXSLUNFCHP-MOPGFXCFSA-N 2 1 361.486 0.415 20 0 FCADMP Cc1ccc(CCC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768586 1225062856 /nfs/dbraw/zinc/06/28/56/1225062856.db2.gz SKEOXWALKBEFKT-MOPGFXCFSA-N 2 1 363.502 0.667 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569531 1208463399 /nfs/dbraw/zinc/46/33/99/1208463399.db2.gz QWXGZINSUIEYPN-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569531 1208463403 /nfs/dbraw/zinc/46/34/03/1208463403.db2.gz QWXGZINSUIEYPN-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001488870241 1208555006 /nfs/dbraw/zinc/55/50/06/1208555006.db2.gz SERJNTUJLPEOFG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828927 1225094466 /nfs/dbraw/zinc/09/44/66/1225094466.db2.gz JIECMTDQONDIEC-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828927 1225094472 /nfs/dbraw/zinc/09/44/72/1225094472.db2.gz JIECMTDQONDIEC-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220828927 1225094478 /nfs/dbraw/zinc/09/44/78/1225094478.db2.gz JIECMTDQONDIEC-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001489535868 1208897267 /nfs/dbraw/zinc/89/72/67/1208897267.db2.gz ZHVBAEGSDUWKFQ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OC ZINC001489535868 1208897268 /nfs/dbraw/zinc/89/72/68/1208897268.db2.gz ZHVBAEGSDUWKFQ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC001489535868 1208897269 /nfs/dbraw/zinc/89/72/69/1208897269.db2.gz ZHVBAEGSDUWKFQ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC001489544986 1208906466 /nfs/dbraw/zinc/90/64/66/1208906466.db2.gz ANTQLUBHCUHQLT-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1=O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001220876846 1225120072 /nfs/dbraw/zinc/12/00/72/1225120072.db2.gz POJFWFXFTCATHH-UHFFFAOYSA-N 2 1 370.453 0.056 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@]3(N)CCC[NH2+]C3)CC2)c1 ZINC001220911040 1225136170 /nfs/dbraw/zinc/13/61/70/1225136170.db2.gz DEFFGDVHFYXKJK-LJQANCHMSA-N 2 1 364.465 0.996 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)COC1(C)C ZINC001220920627 1225140853 /nfs/dbraw/zinc/14/08/53/1225140853.db2.gz HKAIDFPUJBOSFW-LZWOXQAQSA-N 2 1 366.506 0.820 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001110694726 1209654285 /nfs/dbraw/zinc/65/42/85/1209654285.db2.gz IVOQYQORQCLILD-BSXFFOKHSA-N 2 1 364.490 0.443 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001110694726 1209654287 /nfs/dbraw/zinc/65/42/87/1209654287.db2.gz IVOQYQORQCLILD-BSXFFOKHSA-N 2 1 364.490 0.443 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000861740462 1209878634 /nfs/dbraw/zinc/87/86/34/1209878634.db2.gz RBKPJORZGNBNSH-GJZGRUSLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000861740462 1209878638 /nfs/dbraw/zinc/87/86/38/1209878638.db2.gz RBKPJORZGNBNSH-GJZGRUSLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861759097 1209880243 /nfs/dbraw/zinc/88/02/43/1209880243.db2.gz MEZSILOFQPVSHO-ZOBUZTSGSA-N 2 1 362.474 0.198 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861759097 1209880244 /nfs/dbraw/zinc/88/02/44/1209880244.db2.gz MEZSILOFQPVSHO-ZOBUZTSGSA-N 2 1 362.474 0.198 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863750567 1209949383 /nfs/dbraw/zinc/94/93/83/1209949383.db2.gz QUYZIDZNIAJRDN-NVXWUHKLSA-N 2 1 361.490 0.700 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)C(F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000864906109 1209967644 /nfs/dbraw/zinc/96/76/44/1209967644.db2.gz LTJXIVPOFJXAKL-KLHDSHLOSA-N 2 1 366.481 0.811 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000866044238 1209990456 /nfs/dbraw/zinc/99/04/56/1209990456.db2.gz PCXOQWGFQWGGNC-QEOTZNIISA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000866044238 1209990459 /nfs/dbraw/zinc/99/04/59/1209990459.db2.gz PCXOQWGFQWGGNC-QEOTZNIISA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000866044238 1209990461 /nfs/dbraw/zinc/99/04/61/1209990461.db2.gz PCXOQWGFQWGGNC-QEOTZNIISA-N 2 1 370.513 0.922 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000871463556 1210157577 /nfs/dbraw/zinc/15/75/77/1210157577.db2.gz IIHJZTFVFUGVLT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000871463556 1210157582 /nfs/dbraw/zinc/15/75/82/1210157582.db2.gz IIHJZTFVFUGVLT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC000871463556 1210157586 /nfs/dbraw/zinc/15/75/86/1210157586.db2.gz IIHJZTFVFUGVLT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062645 1225205031 /nfs/dbraw/zinc/20/50/31/1225205031.db2.gz VVLJOBWGTLJPDL-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062645 1225205034 /nfs/dbraw/zinc/20/50/34/1225205034.db2.gz VVLJOBWGTLJPDL-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000875182594 1210348036 /nfs/dbraw/zinc/34/80/36/1210348036.db2.gz SOWFLMUZZMONIF-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221081412 1225213193 /nfs/dbraw/zinc/21/31/93/1225213193.db2.gz KBJLHHOMDGETMT-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C(=O)OC)n1 ZINC000878589726 1210462661 /nfs/dbraw/zinc/46/26/61/1210462661.db2.gz UEFMSTJTWGGXHP-HNNXBMFYSA-N 2 1 365.478 0.544 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089664 1225216651 /nfs/dbraw/zinc/21/66/51/1225216651.db2.gz LLKFORBJACJEEY-KSZLIROESA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089664 1225216655 /nfs/dbraw/zinc/21/66/55/1225216655.db2.gz LLKFORBJACJEEY-KSZLIROESA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089664 1225216661 /nfs/dbraw/zinc/21/66/61/1225216661.db2.gz LLKFORBJACJEEY-KSZLIROESA-N 2 1 367.465 0.231 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604241 1210673532 /nfs/dbraw/zinc/67/35/32/1210673532.db2.gz QWKLBDYPFSEUEU-MAUKXSAKSA-N 2 1 371.485 0.859 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000883604642 1210673767 /nfs/dbraw/zinc/67/37/67/1210673767.db2.gz BMMCECOVLFJLJI-DOTOQJQBSA-N 2 1 357.458 0.388 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883607426 1210674409 /nfs/dbraw/zinc/67/44/09/1210674409.db2.gz UWYMFYQYTZXOHX-QZTJIDSGSA-N 2 1 371.485 0.763 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000884207733 1210723161 /nfs/dbraw/zinc/72/31/61/1210723161.db2.gz DLDUYOGOQQOQQJ-HNNXBMFYSA-N 2 1 362.474 0.602 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884236027 1210725477 /nfs/dbraw/zinc/72/54/77/1210725477.db2.gz KWSAOMPDRKOJQL-GOSISDBHSA-N 2 1 373.501 0.963 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000884488825 1210738287 /nfs/dbraw/zinc/73/82/87/1210738287.db2.gz HVHJBXZHYHYWQE-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000884489295 1210738738 /nfs/dbraw/zinc/73/87/38/1210738738.db2.gz UWHXUBJVMPIXCZ-BBTUJRGHSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532512 1210745378 /nfs/dbraw/zinc/74/53/78/1210745378.db2.gz KUZZTMGLSFJRBR-YSHGAJCASA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC000884544384 1210747272 /nfs/dbraw/zinc/74/72/72/1210747272.db2.gz FNEZVXPFGQAKNW-APWZRJJASA-N 2 1 366.506 0.063 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554229 1210749084 /nfs/dbraw/zinc/74/90/84/1210749084.db2.gz PJHVNFAOPMMSGK-ACJLOTCBSA-N 2 1 356.470 0.547 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000884560172 1210751563 /nfs/dbraw/zinc/75/15/63/1210751563.db2.gz PDAGDAFRAKDVIP-WMLDXEAASA-N 2 1 358.486 0.888 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884576248 1210754362 /nfs/dbraw/zinc/75/43/62/1210754362.db2.gz CNXSYWQNKHSKTD-KSZLIROESA-N 2 1 356.470 0.512 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000884576584 1210754853 /nfs/dbraw/zinc/75/48/53/1210754853.db2.gz LALMQIFYEOUWJI-ATZDWAIDSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577150 1210755618 /nfs/dbraw/zinc/75/56/18/1210755618.db2.gz YPFZELMUCIIFAZ-CVEARBPZSA-N 2 1 366.506 0.109 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884586056 1210757354 /nfs/dbraw/zinc/75/73/54/1210757354.db2.gz BJBWPTVGNLBKIN-IXDOHACOSA-N 2 1 373.501 0.261 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884589054 1210758176 /nfs/dbraw/zinc/75/81/76/1210758176.db2.gz RWALBBKNYMAZGU-ONIAQPFYSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884589054 1210758185 /nfs/dbraw/zinc/75/81/85/1210758185.db2.gz RWALBBKNYMAZGU-ONIAQPFYSA-N 2 1 374.485 0.340 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884597902 1210758971 /nfs/dbraw/zinc/75/89/71/1210758971.db2.gz NQPMBEIBXCOEFF-QGZVFWFLSA-N 2 1 367.538 0.250 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884601818 1210759535 /nfs/dbraw/zinc/75/95/35/1210759535.db2.gz WGTUHPHUGCFOIS-LVCYWYKZSA-N 2 1 370.497 0.693 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[NH+]2CCCC2)o1 ZINC000884601735 1210759766 /nfs/dbraw/zinc/75/97/66/1210759766.db2.gz UKBHBJXJJWKJMR-RZQQEMMASA-N 2 1 374.485 0.909 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884601571 1210759949 /nfs/dbraw/zinc/75/99/49/1210759949.db2.gz PQKJMVMSVLNVEW-FHWLQOOXSA-N 2 1 370.497 0.978 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884601559 1210760255 /nfs/dbraw/zinc/76/02/55/1210760255.db2.gz PJJOUSZPDPFABN-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626665 1210765424 /nfs/dbraw/zinc/76/54/24/1210765424.db2.gz RHCUHHHUMILPCR-SQNIBIBYSA-N 2 1 356.470 0.560 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000884668901 1210774759 /nfs/dbraw/zinc/77/47/59/1210774759.db2.gz GRRKWAAHSVARAX-BZUAXINKSA-N 2 1 362.474 0.976 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884669941 1210775910 /nfs/dbraw/zinc/77/59/10/1210775910.db2.gz KRLQFLDQDDMYSZ-SJORKVTESA-N 2 1 367.538 0.106 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C3CC3)C2)cc1 ZINC000884676351 1210777852 /nfs/dbraw/zinc/77/78/52/1210777852.db2.gz KOIPCPVEVGLNJZ-GOSISDBHSA-N 2 1 358.486 0.944 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884678009 1210778435 /nfs/dbraw/zinc/77/84/35/1210778435.db2.gz MHZSKPPAQVKPQY-SQGPQFPESA-N 2 1 356.470 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678812 1210779741 /nfs/dbraw/zinc/77/97/41/1210779741.db2.gz MWUXVEVUWMTVCA-JLSDUUJJSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884688226 1210781258 /nfs/dbraw/zinc/78/12/58/1210781258.db2.gz WGKPGMZJZUSZOF-WAOWUJCRSA-N 2 1 370.497 0.835 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)c1 ZINC000884689963 1210781425 /nfs/dbraw/zinc/78/14/25/1210781425.db2.gz FTLVYJSUUFESQD-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)c1 ZINC000884689963 1210781429 /nfs/dbraw/zinc/78/14/29/1210781429.db2.gz FTLVYJSUUFESQD-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000884693711 1210782695 /nfs/dbraw/zinc/78/26/95/1210782695.db2.gz LLPGMGJZVIGCOI-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884707168 1210784684 /nfs/dbraw/zinc/78/46/84/1210784684.db2.gz ALXGCJZGJFEWDH-IPMKNSEASA-N 2 1 370.497 0.820 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)C1 ZINC000884787605 1210795641 /nfs/dbraw/zinc/79/56/41/1210795641.db2.gz WYSYANYWVXALMQ-FUHWJXTLSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)C1 ZINC000884787605 1210795646 /nfs/dbraw/zinc/79/56/46/1210795646.db2.gz WYSYANYWVXALMQ-FUHWJXTLSA-N 2 1 374.485 0.769 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884833431 1210800363 /nfs/dbraw/zinc/80/03/63/1210800363.db2.gz KOHWHCPLQTUAQW-WMZOPIPTSA-N 2 1 360.502 0.939 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884833223 1210800405 /nfs/dbraw/zinc/80/04/05/1210800405.db2.gz IOARDAXRRKRMJV-RANZSIQMSA-N 2 1 356.470 0.443 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839051 1210800743 /nfs/dbraw/zinc/80/07/43/1210800743.db2.gz WCMCBGPXUVETQB-HNNXBMFYSA-N 2 1 358.486 0.797 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839974 1210800951 /nfs/dbraw/zinc/80/09/51/1210800951.db2.gz DORYOHWGRRDMAL-OAHLLOKOSA-N 2 1 358.486 0.749 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000884984177 1210806857 /nfs/dbraw/zinc/80/68/57/1210806857.db2.gz RMXQJLLWIUJRIA-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000884984177 1210806858 /nfs/dbraw/zinc/80/68/58/1210806858.db2.gz RMXQJLLWIUJRIA-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884983375 1210807009 /nfs/dbraw/zinc/80/70/09/1210807009.db2.gz QFIASIRLMHZYLM-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000884983774 1210807143 /nfs/dbraw/zinc/80/71/43/1210807143.db2.gz WDTQKISCVSYSOE-KURKYZTESA-N 2 1 356.470 0.506 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018105 1210808667 /nfs/dbraw/zinc/80/86/67/1210808667.db2.gz IRFPEPCJIMBRHD-ZWKOTPCHSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018105 1210808669 /nfs/dbraw/zinc/80/86/69/1210808669.db2.gz IRFPEPCJIMBRHD-ZWKOTPCHSA-N 2 1 374.485 0.132 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)C2)c1 ZINC000885017731 1210808992 /nfs/dbraw/zinc/80/89/92/1210808992.db2.gz CZZZAIPHUJFZMK-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)C2)c1 ZINC000885017731 1210808993 /nfs/dbraw/zinc/80/89/93/1210808993.db2.gz CZZZAIPHUJFZMK-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141325 1210812345 /nfs/dbraw/zinc/81/23/45/1210812345.db2.gz LWYXMRHCZNGGRN-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000885154323 1210813695 /nfs/dbraw/zinc/81/36/95/1210813695.db2.gz TVOQFIPQEOIBRH-KRWDZBQOSA-N 2 1 356.470 0.514 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000885162288 1210814225 /nfs/dbraw/zinc/81/42/25/1210814225.db2.gz KGPKPMJYEBYFAH-SJLPKXTDSA-N 2 1 356.470 0.512 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167680 1210814679 /nfs/dbraw/zinc/81/46/79/1210814679.db2.gz ORSYMDMASDIFID-ZWKOTPCHSA-N 2 1 358.486 0.758 20 0 FCADMP CCN(C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000887001575 1210841961 /nfs/dbraw/zinc/84/19/61/1210841961.db2.gz YCGKMQZLSWKZIR-OAHLLOKOSA-N 2 1 361.446 0.336 20 0 FCADMP O=C1C[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306003 1210854589 /nfs/dbraw/zinc/85/45/89/1210854589.db2.gz GDCHQTLTNSBYTC-OTWHNJEPSA-N 2 1 371.481 0.950 20 0 FCADMP O=C1C[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306003 1210854590 /nfs/dbraw/zinc/85/45/90/1210854590.db2.gz GDCHQTLTNSBYTC-OTWHNJEPSA-N 2 1 371.481 0.950 20 0 FCADMP O=C1C[C@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306003 1210854591 /nfs/dbraw/zinc/85/45/91/1210854591.db2.gz GDCHQTLTNSBYTC-OTWHNJEPSA-N 2 1 371.481 0.950 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274084349 1210876082 /nfs/dbraw/zinc/87/60/82/1210876082.db2.gz TYXIYSUYCRMRKZ-APMMTJHUSA-N 2 1 362.518 0.966 20 0 FCADMP COCCOC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203691 1210911906 /nfs/dbraw/zinc/91/19/06/1210911906.db2.gz OKRWPWFPHYWIQI-SFHVURJKSA-N 2 1 369.506 0.378 20 0 FCADMP COCCOC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203691 1210911912 /nfs/dbraw/zinc/91/19/12/1210911912.db2.gz OKRWPWFPHYWIQI-SFHVURJKSA-N 2 1 369.506 0.378 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000887924418 1210920184 /nfs/dbraw/zinc/92/01/84/1210920184.db2.gz KFRQMVOQPUPGJT-BGEMRTGESA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000887924418 1210920190 /nfs/dbraw/zinc/92/01/90/1210920190.db2.gz KFRQMVOQPUPGJT-BGEMRTGESA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000887924418 1210920193 /nfs/dbraw/zinc/92/01/93/1210920193.db2.gz KFRQMVOQPUPGJT-BGEMRTGESA-N 2 1 366.481 0.145 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889750722 1210947395 /nfs/dbraw/zinc/94/73/95/1210947395.db2.gz OBJDMPNSFAAIRF-OALUTQOASA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750722 1210947396 /nfs/dbraw/zinc/94/73/96/1210947396.db2.gz OBJDMPNSFAAIRF-OALUTQOASA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889750722 1210947399 /nfs/dbraw/zinc/94/73/99/1210947399.db2.gz OBJDMPNSFAAIRF-OALUTQOASA-N 2 1 366.550 0.850 20 0 FCADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756681 1210948125 /nfs/dbraw/zinc/94/81/25/1210948125.db2.gz OEODFXFNVRAUBO-HOTGVXAUSA-N 2 1 372.473 0.894 20 0 FCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000174722990 1210986033 /nfs/dbraw/zinc/98/60/33/1210986033.db2.gz FOFOUNVQFRXCGG-UHFFFAOYSA-N 2 1 362.474 0.601 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000174722990 1210986036 /nfs/dbraw/zinc/98/60/36/1210986036.db2.gz FOFOUNVQFRXCGG-UHFFFAOYSA-N 2 1 362.474 0.601 20 0 FCADMP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831028 1210986504 /nfs/dbraw/zinc/98/65/04/1210986504.db2.gz PLFYVNFEMCOTLB-WEXBMKDWSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831028 1210986507 /nfs/dbraw/zinc/98/65/07/1210986507.db2.gz PLFYVNFEMCOTLB-WEXBMKDWSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831028 1210986509 /nfs/dbraw/zinc/98/65/09/1210986509.db2.gz PLFYVNFEMCOTLB-WEXBMKDWSA-N 2 1 363.502 0.998 20 0 FCADMP COC(=O)c1ccc(CN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221183026 1225257706 /nfs/dbraw/zinc/25/77/06/1225257706.db2.gz DCZUODBCWVWBNF-ULQDDVLXSA-N 3 1 362.474 0.748 20 0 FCADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1)C2 ZINC001275154375 1211182652 /nfs/dbraw/zinc/18/26/52/1211182652.db2.gz AILLIXJRFVJYOH-SFHVURJKSA-N 2 1 360.502 0.185 20 0 FCADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1)C2 ZINC001275154375 1211182655 /nfs/dbraw/zinc/18/26/55/1211182655.db2.gz AILLIXJRFVJYOH-SFHVURJKSA-N 2 1 360.502 0.185 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170312 1211187151 /nfs/dbraw/zinc/18/71/51/1211187151.db2.gz UCFSQMXGOJDDPO-IBGZPJMESA-N 2 1 360.506 0.472 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170312 1211187152 /nfs/dbraw/zinc/18/71/52/1211187152.db2.gz UCFSQMXGOJDDPO-IBGZPJMESA-N 2 1 360.506 0.472 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170312 1211187154 /nfs/dbraw/zinc/18/71/54/1211187154.db2.gz UCFSQMXGOJDDPO-IBGZPJMESA-N 2 1 360.506 0.472 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171697 1211188241 /nfs/dbraw/zinc/18/82/41/1211188241.db2.gz NKIJGROMNCCELH-SCTDSRPQSA-N 2 1 359.518 0.931 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171697 1211188243 /nfs/dbraw/zinc/18/82/43/1211188243.db2.gz NKIJGROMNCCELH-SCTDSRPQSA-N 2 1 359.518 0.931 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171697 1211188247 /nfs/dbraw/zinc/18/82/47/1211188247.db2.gz NKIJGROMNCCELH-SCTDSRPQSA-N 2 1 359.518 0.931 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172601 1211188874 /nfs/dbraw/zinc/18/88/74/1211188874.db2.gz ZWPFSMMYMWEVDB-HKUYNNGSSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172601 1211188877 /nfs/dbraw/zinc/18/88/77/1211188877.db2.gz ZWPFSMMYMWEVDB-HKUYNNGSSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172601 1211188879 /nfs/dbraw/zinc/18/88/79/1211188879.db2.gz ZWPFSMMYMWEVDB-HKUYNNGSSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172603 1211188971 /nfs/dbraw/zinc/18/89/71/1211188971.db2.gz ZWPFSMMYMWEVDB-MJGOQNOKSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172603 1211188972 /nfs/dbraw/zinc/18/89/72/1211188972.db2.gz ZWPFSMMYMWEVDB-MJGOQNOKSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172603 1211188973 /nfs/dbraw/zinc/18/89/73/1211188973.db2.gz ZWPFSMMYMWEVDB-MJGOQNOKSA-N 2 1 360.506 0.470 20 0 FCADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275325808 1211215499 /nfs/dbraw/zinc/21/54/99/1211215499.db2.gz REVNJMKMANAWFH-GGPKGHCWSA-N 2 1 364.534 0.583 20 0 FCADMP Cc1ncc(CO)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1O ZINC001275335429 1211216378 /nfs/dbraw/zinc/21/63/78/1211216378.db2.gz JRDAMOQPFMLQAX-IAGOWNOFSA-N 2 1 362.474 0.715 20 0 FCADMP COc1cnccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275372106 1211225521 /nfs/dbraw/zinc/22/55/21/1211225521.db2.gz VFWXBZOZCOOCRU-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1cnccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275372106 1211225524 /nfs/dbraw/zinc/22/55/24/1211225524.db2.gz VFWXBZOZCOOCRU-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP Nc1ccncc1CN1CC[C@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456206 1211242788 /nfs/dbraw/zinc/24/27/88/1211242788.db2.gz VYASOVUDRDRCLS-IBGZPJMESA-N 2 1 360.458 0.724 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507511 1211251833 /nfs/dbraw/zinc/25/18/33/1211251833.db2.gz CWEJUWJCMZGKNX-LJQANCHMSA-N 2 1 368.522 0.261 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507511 1211251837 /nfs/dbraw/zinc/25/18/37/1211251837.db2.gz CWEJUWJCMZGKNX-LJQANCHMSA-N 2 1 368.522 0.261 20 0 FCADMP Cn1cnnc1CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275513188 1211252780 /nfs/dbraw/zinc/25/27/80/1211252780.db2.gz ZBKMICRJLUQGFH-SFHVURJKSA-N 2 1 364.494 0.206 20 0 FCADMP Cn1cnnc1CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275513188 1211252782 /nfs/dbraw/zinc/25/27/82/1211252782.db2.gz ZBKMICRJLUQGFH-SFHVURJKSA-N 2 1 364.494 0.206 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556002 1211255631 /nfs/dbraw/zinc/25/56/31/1211255631.db2.gz GLMSRAUYAITNSY-BEFAXECRSA-N 2 1 364.490 0.433 20 0 FCADMP Cc1cc(CN2C(=O)COCC23C[NH+](CC2CC[NH+](C)CC2)C3)n(C)n1 ZINC001275555709 1211255762 /nfs/dbraw/zinc/25/57/62/1211255762.db2.gz WUNIWVRWJGSAKR-UHFFFAOYSA-N 2 1 361.490 0.484 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556958 1211256650 /nfs/dbraw/zinc/25/66/50/1211256650.db2.gz QXHKOCVEHTZZLP-VQIMIIECSA-N 2 1 367.490 0.583 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2)OC ZINC001275557022 1211257008 /nfs/dbraw/zinc/25/70/08/1211257008.db2.gz SOHKABVAMQJDER-LJQANCHMSA-N 2 1 369.506 0.498 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)CC1 ZINC001275557321 1211257011 /nfs/dbraw/zinc/25/70/11/1211257011.db2.gz XHCATKYUFXOBTQ-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)nc1 ZINC001275603540 1211262878 /nfs/dbraw/zinc/26/28/78/1211262878.db2.gz IDCTUWQPHYPQTR-LJQANCHMSA-N 2 1 360.458 0.997 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)nc1 ZINC001275603540 1211262881 /nfs/dbraw/zinc/26/28/81/1211262881.db2.gz IDCTUWQPHYPQTR-LJQANCHMSA-N 2 1 360.458 0.997 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)nc1 ZINC001275603799 1211263108 /nfs/dbraw/zinc/26/31/08/1211263108.db2.gz MQOUZIIQFBTUPO-IBGZPJMESA-N 2 1 360.458 0.854 20 0 FCADMP CCCn1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275632071 1211265781 /nfs/dbraw/zinc/26/57/81/1211265781.db2.gz WURQLJUVLFTEFR-IBGZPJMESA-N 2 1 363.506 0.906 20 0 FCADMP CCCn1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275632071 1211265782 /nfs/dbraw/zinc/26/57/82/1211265782.db2.gz WURQLJUVLFTEFR-IBGZPJMESA-N 2 1 363.506 0.906 20 0 FCADMP COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275736848 1211278698 /nfs/dbraw/zinc/27/86/98/1211278698.db2.gz HUTOVZSYDYCIRC-LPHOPBHVSA-N 2 1 367.490 0.631 20 0 FCADMP COC[C@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275736847 1211278836 /nfs/dbraw/zinc/27/88/36/1211278836.db2.gz HUTOVZSYDYCIRC-APWZRJJASA-N 2 1 367.490 0.631 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736545 1211278952 /nfs/dbraw/zinc/27/89/52/1211278952.db2.gz FSOUFTPPQDTHRL-LJQANCHMSA-N 2 1 364.490 0.352 20 0 FCADMP Cc1cc(CN2C[C@@]3(CC[N@@H+](CC4CC[NH2+]CC4)C3)OCC2=O)n(C)n1 ZINC001275737805 1211279131 /nfs/dbraw/zinc/27/91/31/1211279131.db2.gz OJKYCDAAWWKTGQ-IBGZPJMESA-N 2 1 361.490 0.531 20 0 FCADMP O=C1C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1ccnc1 ZINC001275738218 1211279408 /nfs/dbraw/zinc/27/94/08/1211279408.db2.gz VWOTWCZSPCHGHE-LJQANCHMSA-N 3 1 359.474 0.724 20 0 FCADMP COCCOCN1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833920 1211293986 /nfs/dbraw/zinc/29/39/86/1211293986.db2.gz SFOVIIDLPVVPLG-LJQANCHMSA-N 2 1 369.506 0.642 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000363477413 1211294516 /nfs/dbraw/zinc/29/45/16/1211294516.db2.gz VUJQKPVOWKLLMA-IAGOWNOFSA-N 2 1 363.506 0.563 20 0 FCADMP Cn1cnnc1CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001275877359 1211303091 /nfs/dbraw/zinc/30/30/91/1211303091.db2.gz AMRKHZZVJYIOMH-HOTGVXAUSA-N 2 1 360.506 0.875 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879878 1211304553 /nfs/dbraw/zinc/30/45/53/1211304553.db2.gz QRZLNSVAYAFWFJ-BXWFABGCSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879878 1211304554 /nfs/dbraw/zinc/30/45/54/1211304554.db2.gz QRZLNSVAYAFWFJ-BXWFABGCSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879878 1211304556 /nfs/dbraw/zinc/30/45/56/1211304556.db2.gz QRZLNSVAYAFWFJ-BXWFABGCSA-N 2 1 367.490 0.583 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879150 1211306254 /nfs/dbraw/zinc/30/62/54/1211306254.db2.gz OCUGDEYPSGBFBI-DNVCBOLYSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879150 1211306257 /nfs/dbraw/zinc/30/62/57/1211306257.db2.gz OCUGDEYPSGBFBI-DNVCBOLYSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879150 1211306260 /nfs/dbraw/zinc/30/62/60/1211306260.db2.gz OCUGDEYPSGBFBI-DNVCBOLYSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879150 1211306264 /nfs/dbraw/zinc/30/62/64/1211306264.db2.gz OCUGDEYPSGBFBI-DNVCBOLYSA-N 2 1 366.506 0.156 20 0 FCADMP CN1CCC[C@H](C[N@H+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878646 1211306305 /nfs/dbraw/zinc/30/63/05/1211306305.db2.gz MJHFBSGXJHMTOH-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878646 1211306306 /nfs/dbraw/zinc/30/63/06/1211306306.db2.gz MJHFBSGXJHMTOH-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878646 1211306308 /nfs/dbraw/zinc/30/63/08/1211306308.db2.gz MJHFBSGXJHMTOH-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878646 1211306310 /nfs/dbraw/zinc/30/63/10/1211306310.db2.gz MJHFBSGXJHMTOH-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001095425329 1211333798 /nfs/dbraw/zinc/33/37/98/1211333798.db2.gz LWKHTVYLBQYEEU-QZWWFDLISA-N 2 1 374.485 0.199 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001095425328 1211334026 /nfs/dbraw/zinc/33/40/26/1211334026.db2.gz LWKHTVYLBQYEEU-NCOADZHNSA-N 2 1 374.485 0.199 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276130482 1211363088 /nfs/dbraw/zinc/36/30/88/1211363088.db2.gz MWJJUOOQXFRYHJ-SFHVURJKSA-N 2 1 363.462 0.715 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4ccnn43)C2)OCC1=O ZINC001276230314 1211385079 /nfs/dbraw/zinc/38/50/79/1211385079.db2.gz FQOSZLRZQDGVGE-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4ccnn43)C2)OCC1=O ZINC001276230314 1211385084 /nfs/dbraw/zinc/38/50/84/1211385084.db2.gz FQOSZLRZQDGVGE-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611061 1211426416 /nfs/dbraw/zinc/42/64/16/1211426416.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 1 359.474 0.726 20 0 FCADMP Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611061 1211426419 /nfs/dbraw/zinc/42/64/19/1211426419.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 1 359.474 0.726 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CCC1=O ZINC001095625675 1211429599 /nfs/dbraw/zinc/42/95/99/1211429599.db2.gz BLHBDSGSPVKBMP-UGUYLWEFSA-N 2 1 362.474 0.341 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)cc2)CC1 ZINC000924466193 1211470652 /nfs/dbraw/zinc/47/06/52/1211470652.db2.gz HEUFLLAWEKRUKI-SFHVURJKSA-N 2 1 373.501 0.806 20 0 FCADMP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000924573087 1211474276 /nfs/dbraw/zinc/47/42/76/1211474276.db2.gz OFZXZTJQCKPABK-SFHVURJKSA-N 2 1 359.470 0.904 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635930 1211577295 /nfs/dbraw/zinc/57/72/95/1211577295.db2.gz BWQZGUJZXZSJOZ-NVXWUHKLSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635930 1211577296 /nfs/dbraw/zinc/57/72/96/1211577296.db2.gz BWQZGUJZXZSJOZ-NVXWUHKLSA-N 2 1 368.522 0.726 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927636994 1211577488 /nfs/dbraw/zinc/57/74/88/1211577488.db2.gz QUJPVSJMJSZJRF-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000927644391 1211578238 /nfs/dbraw/zinc/57/82/38/1211578238.db2.gz MURPIZSGBZEPBX-SJLPKXTDSA-N 2 1 366.506 0.603 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000927643513 1211578289 /nfs/dbraw/zinc/57/82/89/1211578289.db2.gz JEEIYJRBFXCMNT-GOSISDBHSA-N 2 1 366.506 0.746 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956783 1211614866 /nfs/dbraw/zinc/61/48/66/1211614866.db2.gz ZXRDOZHQKNNNKC-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)Cc1ccccc1 ZINC000929398135 1211635458 /nfs/dbraw/zinc/63/54/58/1211635458.db2.gz IDVRBHNBVAPKLM-MSOLQXFVSA-N 2 1 360.502 0.876 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)Cc1ccccc1 ZINC000929398135 1211635463 /nfs/dbraw/zinc/63/54/63/1211635463.db2.gz IDVRBHNBVAPKLM-MSOLQXFVSA-N 2 1 360.502 0.876 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000929662316 1211653787 /nfs/dbraw/zinc/65/37/87/1211653787.db2.gz YJUFISCQMIRXMC-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000929662316 1211653789 /nfs/dbraw/zinc/65/37/89/1211653789.db2.gz YJUFISCQMIRXMC-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000929662316 1211653792 /nfs/dbraw/zinc/65/37/92/1211653792.db2.gz YJUFISCQMIRXMC-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000929662316 1211653795 /nfs/dbraw/zinc/65/37/95/1211653795.db2.gz YJUFISCQMIRXMC-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522688 1211712534 /nfs/dbraw/zinc/71/25/34/1211712534.db2.gz HQEJNNLRIXIDHF-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522688 1211712536 /nfs/dbraw/zinc/71/25/36/1211712536.db2.gz HQEJNNLRIXIDHF-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000930522688 1211712539 /nfs/dbraw/zinc/71/25/39/1211712539.db2.gz HQEJNNLRIXIDHF-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000930522688 1211712540 /nfs/dbraw/zinc/71/25/40/1211712540.db2.gz HQEJNNLRIXIDHF-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000930958237 1211731698 /nfs/dbraw/zinc/73/16/98/1211731698.db2.gz LEFJQQVVMIFUOB-DLBZAZTESA-N 2 1 359.474 0.897 20 0 FCADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931485004 1211757791 /nfs/dbraw/zinc/75/77/91/1211757791.db2.gz TWTLSRGSAQKVAS-CQSZACIVSA-N 2 1 362.474 0.762 20 0 FCADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931485003 1211757927 /nfs/dbraw/zinc/75/79/27/1211757927.db2.gz TWTLSRGSAQKVAS-AWEZNQCLSA-N 2 1 362.474 0.762 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)O1 ZINC000947073365 1211775722 /nfs/dbraw/zinc/77/57/22/1211775722.db2.gz SMEPSBBMCSLRMU-KBRIMQKVSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)O1 ZINC000947073365 1211775724 /nfs/dbraw/zinc/77/57/24/1211775724.db2.gz SMEPSBBMCSLRMU-KBRIMQKVSA-N 2 1 366.506 0.153 20 0 FCADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931877664 1211776971 /nfs/dbraw/zinc/77/69/71/1211776971.db2.gz IQWYYLDGLJKMJA-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931877664 1211776983 /nfs/dbraw/zinc/77/69/83/1211776983.db2.gz IQWYYLDGLJKMJA-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931877664 1211776985 /nfs/dbraw/zinc/77/69/85/1211776985.db2.gz IQWYYLDGLJKMJA-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931877664 1211776989 /nfs/dbraw/zinc/77/69/89/1211776989.db2.gz IQWYYLDGLJKMJA-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000931879485 1211778671 /nfs/dbraw/zinc/77/86/71/1211778671.db2.gz YQDWBGQOIQICKI-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000931879485 1211778672 /nfs/dbraw/zinc/77/86/72/1211778672.db2.gz YQDWBGQOIQICKI-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879485 1211778674 /nfs/dbraw/zinc/77/86/74/1211778674.db2.gz YQDWBGQOIQICKI-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879485 1211778677 /nfs/dbraw/zinc/77/86/77/1211778677.db2.gz YQDWBGQOIQICKI-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021203 1211788163 /nfs/dbraw/zinc/78/81/63/1211788163.db2.gz PQTHQLGDPMQAFA-HZMVEIRTSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021203 1211788169 /nfs/dbraw/zinc/78/81/69/1211788169.db2.gz PQTHQLGDPMQAFA-HZMVEIRTSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111021203 1211788172 /nfs/dbraw/zinc/78/81/72/1211788172.db2.gz PQTHQLGDPMQAFA-HZMVEIRTSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111021203 1211788174 /nfs/dbraw/zinc/78/81/74/1211788174.db2.gz PQTHQLGDPMQAFA-HZMVEIRTSA-N 2 1 365.522 0.900 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001111022777 1211795131 /nfs/dbraw/zinc/79/51/31/1211795131.db2.gz XCPKAWMNHUWGLO-IDCNUPLLSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001111022777 1211795135 /nfs/dbraw/zinc/79/51/35/1211795135.db2.gz XCPKAWMNHUWGLO-IDCNUPLLSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000932621673 1211814022 /nfs/dbraw/zinc/81/40/22/1211814022.db2.gz NGJIIBIPXNJDLA-RDTXWAMCSA-N 2 1 374.489 0.506 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001111197971 1211924145 /nfs/dbraw/zinc/92/41/45/1211924145.db2.gz BKGBKMHXUWIEDS-MXASKKJJSA-N 2 1 364.490 0.097 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001111197971 1211924147 /nfs/dbraw/zinc/92/41/47/1211924147.db2.gz BKGBKMHXUWIEDS-MXASKKJJSA-N 2 1 364.490 0.097 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[NH+]2C)O1 ZINC000968686848 1212078385 /nfs/dbraw/zinc/07/83/85/1212078385.db2.gz LJDCKWKTXPFVAP-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[NH+]2C)O1 ZINC000968686848 1212078389 /nfs/dbraw/zinc/07/83/89/1212078389.db2.gz LJDCKWKTXPFVAP-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[N@@H+]2C)O1 ZINC000968686848 1212078391 /nfs/dbraw/zinc/07/83/91/1212078391.db2.gz LJDCKWKTXPFVAP-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[N@H+]2C)O1 ZINC000968686848 1212078395 /nfs/dbraw/zinc/07/83/95/1212078395.db2.gz LJDCKWKTXPFVAP-UHDSXZAQSA-N 2 1 364.490 0.002 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCn2cccn2)O1 ZINC000968906974 1212174084 /nfs/dbraw/zinc/17/40/84/1212174084.db2.gz NDJNBIXYVOOCMN-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCn2cccn2)O1 ZINC000968906974 1212174091 /nfs/dbraw/zinc/17/40/91/1212174091.db2.gz NDJNBIXYVOOCMN-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCn2cccn2)O1 ZINC000968906974 1212174097 /nfs/dbraw/zinc/17/40/97/1212174097.db2.gz NDJNBIXYVOOCMN-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCn2cccn2)O1 ZINC000968906974 1212174100 /nfs/dbraw/zinc/17/41/00/1212174100.db2.gz NDJNBIXYVOOCMN-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC000948542100 1212196422 /nfs/dbraw/zinc/19/64/22/1212196422.db2.gz MQYYENLCBHTYGT-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC000948542100 1212196428 /nfs/dbraw/zinc/19/64/28/1212196428.db2.gz MQYYENLCBHTYGT-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)O1 ZINC000948542100 1212196431 /nfs/dbraw/zinc/19/64/31/1212196431.db2.gz MQYYENLCBHTYGT-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)O1 ZINC000948542100 1212196433 /nfs/dbraw/zinc/19/64/33/1212196433.db2.gz MQYYENLCBHTYGT-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP O=C(NC[C@H]1CCCCC[N@@H+]1CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962358 1212202932 /nfs/dbraw/zinc/20/29/32/1212202932.db2.gz APFOUIBVXXRSSK-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP COC[C@@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949395656 1212371103 /nfs/dbraw/zinc/37/11/03/1212371103.db2.gz YDURQWRZOINITJ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395656 1212371106 /nfs/dbraw/zinc/37/11/06/1212371106.db2.gz YDURQWRZOINITJ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395656 1212371109 /nfs/dbraw/zinc/37/11/09/1212371109.db2.gz YDURQWRZOINITJ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@@H](C)[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395656 1212371114 /nfs/dbraw/zinc/37/11/14/1212371114.db2.gz YDURQWRZOINITJ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555320 1225365509 /nfs/dbraw/zinc/36/55/09/1225365509.db2.gz CNMRDLKHKFUWQJ-FGTMMUONSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555320 1225365511 /nfs/dbraw/zinc/36/55/11/1225365511.db2.gz CNMRDLKHKFUWQJ-FGTMMUONSA-N 2 1 362.518 0.728 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001007187807 1212420559 /nfs/dbraw/zinc/42/05/59/1212420559.db2.gz YROJRDLUFVYDJK-GMBSWORKSA-N 2 1 359.474 0.852 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001007187807 1212420564 /nfs/dbraw/zinc/42/05/64/1212420564.db2.gz YROJRDLUFVYDJK-GMBSWORKSA-N 2 1 359.474 0.852 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007482180 1212503972 /nfs/dbraw/zinc/50/39/72/1212503972.db2.gz CAMGAWXMLCPFQQ-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001111308300 1212537718 /nfs/dbraw/zinc/53/77/18/1212537718.db2.gz MFQYZZHDMCFRMM-XDNAFOTISA-N 2 1 363.506 0.697 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001111308300 1212537723 /nfs/dbraw/zinc/53/77/23/1212537723.db2.gz MFQYZZHDMCFRMM-XDNAFOTISA-N 2 1 363.506 0.697 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001111308300 1212537726 /nfs/dbraw/zinc/53/77/26/1212537726.db2.gz MFQYZZHDMCFRMM-XDNAFOTISA-N 2 1 363.506 0.697 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000950253997 1212544015 /nfs/dbraw/zinc/54/40/15/1212544015.db2.gz OIYDFJHSQSNSRU-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000950253997 1212544017 /nfs/dbraw/zinc/54/40/17/1212544017.db2.gz OIYDFJHSQSNSRU-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000950391001 1212566742 /nfs/dbraw/zinc/56/67/42/1212566742.db2.gz PYCMYDMMGAPMBS-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950673584 1212627093 /nfs/dbraw/zinc/62/70/93/1212627093.db2.gz BMDJDUPKICZCBR-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000950704411 1212634180 /nfs/dbraw/zinc/63/41/80/1212634180.db2.gz DTBOUMMZILQRGW-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@H+]2CCC(C)(C)C2)O1 ZINC000950790175 1212675048 /nfs/dbraw/zinc/67/50/48/1212675048.db2.gz ZRPJXEWNZSGWIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)O1 ZINC000950790175 1212675052 /nfs/dbraw/zinc/67/50/52/1212675052.db2.gz ZRPJXEWNZSGWIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)O1 ZINC000950790175 1212675058 /nfs/dbraw/zinc/67/50/58/1212675058.db2.gz ZRPJXEWNZSGWIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C[N@H+]2CCC(C)(C)C2)O1 ZINC000950790175 1212675070 /nfs/dbraw/zinc/67/50/70/1212675070.db2.gz ZRPJXEWNZSGWIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616933 1225399730 /nfs/dbraw/zinc/39/97/30/1225399730.db2.gz WTAPRBCMIUMFIQ-KURKYZTESA-N 2 1 363.506 0.773 20 0 FCADMP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616933 1225399732 /nfs/dbraw/zinc/39/97/32/1225399732.db2.gz WTAPRBCMIUMFIQ-KURKYZTESA-N 2 1 363.506 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000952335123 1212940011 /nfs/dbraw/zinc/94/00/11/1212940011.db2.gz KJKVBUWHVFPGIX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000952335123 1212940014 /nfs/dbraw/zinc/94/00/14/1212940014.db2.gz KJKVBUWHVFPGIX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000952407747 1212947571 /nfs/dbraw/zinc/94/75/71/1212947571.db2.gz NZOWSCLPEOHENI-GDBMZVCRSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000954048671 1213035712 /nfs/dbraw/zinc/03/57/12/1213035712.db2.gz AFJBRGYAGANKKN-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000954048671 1213035716 /nfs/dbraw/zinc/03/57/16/1213035716.db2.gz AFJBRGYAGANKKN-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000954048671 1213035720 /nfs/dbraw/zinc/03/57/20/1213035720.db2.gz AFJBRGYAGANKKN-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000954048671 1213035722 /nfs/dbraw/zinc/03/57/22/1213035722.db2.gz AFJBRGYAGANKKN-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000954048671 1213035726 /nfs/dbraw/zinc/03/57/26/1213035726.db2.gz AFJBRGYAGANKKN-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221654399 1225420023 /nfs/dbraw/zinc/42/00/23/1225420023.db2.gz IVHISEDVGMBDDF-BRWVUGGUSA-N 2 1 363.506 0.507 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221654399 1225420025 /nfs/dbraw/zinc/42/00/25/1225420025.db2.gz IVHISEDVGMBDDF-BRWVUGGUSA-N 2 1 363.506 0.507 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221654399 1225420028 /nfs/dbraw/zinc/42/00/28/1225420028.db2.gz IVHISEDVGMBDDF-BRWVUGGUSA-N 2 1 363.506 0.507 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221658988 1225422322 /nfs/dbraw/zinc/42/23/22/1225422322.db2.gz DEUKDXBYIHMVSI-NVXWUHKLSA-N 2 1 359.474 0.577 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221658988 1225422326 /nfs/dbraw/zinc/42/23/26/1225422326.db2.gz DEUKDXBYIHMVSI-NVXWUHKLSA-N 2 1 359.474 0.577 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663910 1225425454 /nfs/dbraw/zinc/42/54/54/1225425454.db2.gz URGHPANLVOBDQO-QGPMSJSTSA-N 2 1 358.442 0.796 20 0 FCADMP CC(C)N1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000955077438 1213132470 /nfs/dbraw/zinc/13/24/70/1213132470.db2.gz CQDWTXSEMOKBPT-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000955077438 1213132474 /nfs/dbraw/zinc/13/24/74/1213132474.db2.gz CQDWTXSEMOKBPT-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000955077438 1213132480 /nfs/dbraw/zinc/13/24/80/1213132480.db2.gz CQDWTXSEMOKBPT-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000955077438 1213132486 /nfs/dbraw/zinc/13/24/86/1213132486.db2.gz CQDWTXSEMOKBPT-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000955077438 1213132488 /nfs/dbraw/zinc/13/24/88/1213132488.db2.gz CQDWTXSEMOKBPT-OIISXLGYSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000956074708 1213169500 /nfs/dbraw/zinc/16/95/00/1213169500.db2.gz DVCOJMYTMRUXRQ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)O1 ZINC000956074708 1213169503 /nfs/dbraw/zinc/16/95/03/1213169503.db2.gz DVCOJMYTMRUXRQ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CCN3CCOCC3)C2)CC[N@H+]1C ZINC000957012489 1213230594 /nfs/dbraw/zinc/23/05/94/1213230594.db2.gz INZPMKNREFWPNT-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000957012489 1213230595 /nfs/dbraw/zinc/23/05/95/1213230595.db2.gz INZPMKNREFWPNT-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000957012489 1213230598 /nfs/dbraw/zinc/23/05/98/1213230598.db2.gz INZPMKNREFWPNT-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000957746189 1213354761 /nfs/dbraw/zinc/35/47/61/1213354761.db2.gz GPKVVNVPMDGHBB-BFYDXBDKSA-N 2 1 361.490 0.658 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@H]32)CC[N@@H+]1C ZINC000959977377 1213569261 /nfs/dbraw/zinc/56/92/61/1213569261.db2.gz XOAHSSQEXNCUKM-RXYDEIHYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@H]32)CC[N@H+]1C ZINC000959977377 1213569264 /nfs/dbraw/zinc/56/92/64/1213569264.db2.gz XOAHSSQEXNCUKM-RXYDEIHYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCCCC4)C[C@H]32)CC[NH+]1C ZINC000959977377 1213569266 /nfs/dbraw/zinc/56/92/66/1213569266.db2.gz XOAHSSQEXNCUKM-RXYDEIHYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCCCC4)C[C@H]32)CC[NH+]1C ZINC000959977377 1213569270 /nfs/dbraw/zinc/56/92/70/1213569270.db2.gz XOAHSSQEXNCUKM-RXYDEIHYSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC000960000521 1213575763 /nfs/dbraw/zinc/57/57/63/1213575763.db2.gz HPLOMGALMFUFNO-DOEOUOAPSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC000960000521 1213575767 /nfs/dbraw/zinc/57/57/67/1213575767.db2.gz HPLOMGALMFUFNO-DOEOUOAPSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC000960000521 1213575768 /nfs/dbraw/zinc/57/57/68/1213575768.db2.gz HPLOMGALMFUFNO-DOEOUOAPSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC000960045220 1213593650 /nfs/dbraw/zinc/59/36/50/1213593650.db2.gz ZLYAHSPLXSNMKL-BPQIPLTHSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC000960045220 1213593653 /nfs/dbraw/zinc/59/36/53/1213593653.db2.gz ZLYAHSPLXSNMKL-BPQIPLTHSA-N 2 1 361.490 0.975 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1)C1CCC1 ZINC000960138962 1213633292 /nfs/dbraw/zinc/63/32/92/1213633292.db2.gz MHXMWQJGLPINOK-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)CC[N@H+]1C ZINC001010588527 1213803115 /nfs/dbraw/zinc/80/31/15/1213803115.db2.gz UMLBTCFZXPPDES-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)CC[NH+]1C ZINC001010588527 1213803119 /nfs/dbraw/zinc/80/31/19/1213803119.db2.gz UMLBTCFZXPPDES-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H]4CCC[N@H+]4C)C3)C2)CC[NH+]1C ZINC001010588527 1213803120 /nfs/dbraw/zinc/80/31/20/1213803120.db2.gz UMLBTCFZXPPDES-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)O1 ZINC001011317653 1213866367 /nfs/dbraw/zinc/86/63/67/1213866367.db2.gz VJAXJVCCFPTHKN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)O1 ZINC001011317653 1213866372 /nfs/dbraw/zinc/86/63/72/1213866372.db2.gz VJAXJVCCFPTHKN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001011317653 1213866376 /nfs/dbraw/zinc/86/63/76/1213866376.db2.gz VJAXJVCCFPTHKN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001011317653 1213866378 /nfs/dbraw/zinc/86/63/78/1213866378.db2.gz VJAXJVCCFPTHKN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC000960740462 1213917183 /nfs/dbraw/zinc/91/71/83/1213917183.db2.gz KKJLKHCDVNQGMJ-VVLHAWIVSA-N 2 1 364.490 0.003 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC000960740462 1213917187 /nfs/dbraw/zinc/91/71/87/1213917187.db2.gz KKJLKHCDVNQGMJ-VVLHAWIVSA-N 2 1 364.490 0.003 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC000960740462 1213917190 /nfs/dbraw/zinc/91/71/90/1213917190.db2.gz KKJLKHCDVNQGMJ-VVLHAWIVSA-N 2 1 364.490 0.003 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC000960780098 1213934107 /nfs/dbraw/zinc/93/41/07/1213934107.db2.gz CWIXFWIJOCHUOE-LTIDMASMSA-N 2 1 364.490 0.003 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC000960780098 1213934111 /nfs/dbraw/zinc/93/41/11/1213934111.db2.gz CWIXFWIJOCHUOE-LTIDMASMSA-N 2 1 364.490 0.003 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC000960780098 1213934112 /nfs/dbraw/zinc/93/41/12/1213934112.db2.gz CWIXFWIJOCHUOE-LTIDMASMSA-N 2 1 364.490 0.003 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960780695 1213934917 /nfs/dbraw/zinc/93/49/17/1213934917.db2.gz JWQGQSCPJQWHPA-LTIDMASMSA-N 2 1 366.506 0.249 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001016770704 1214041621 /nfs/dbraw/zinc/04/16/21/1214041621.db2.gz AJJUQSHUVBRYBU-SJJHQCBESA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)[C@@H](c2ccccc2)C1 ZINC001016839351 1214052087 /nfs/dbraw/zinc/05/20/87/1214052087.db2.gz BVAIEQKNIDQARF-SQNIBIBYSA-N 2 1 370.497 0.788 20 0 FCADMP COCCCC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276370379 1214159474 /nfs/dbraw/zinc/15/94/74/1214159474.db2.gz ZGQNZAHRNLIQFF-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP COCCCC[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276370379 1214159478 /nfs/dbraw/zinc/15/94/78/1214159478.db2.gz ZGQNZAHRNLIQFF-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP COCCCC[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276370379 1214159484 /nfs/dbraw/zinc/15/94/84/1214159484.db2.gz ZGQNZAHRNLIQFF-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001019038656 1214183380 /nfs/dbraw/zinc/18/33/80/1214183380.db2.gz XRMSVDOYUXIBNP-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019038656 1214183381 /nfs/dbraw/zinc/18/33/81/1214183381.db2.gz XRMSVDOYUXIBNP-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019038656 1214183384 /nfs/dbraw/zinc/18/33/84/1214183384.db2.gz XRMSVDOYUXIBNP-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019070352 1214190232 /nfs/dbraw/zinc/19/02/32/1214190232.db2.gz KEHVXZRVRPRJSD-BRWVUGGUSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1 ZINC001019070150 1214190746 /nfs/dbraw/zinc/19/07/46/1214190746.db2.gz ATAYIKUEBBJQIS-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1 ZINC001019070150 1214190748 /nfs/dbraw/zinc/19/07/48/1214190748.db2.gz ATAYIKUEBBJQIS-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1 ZINC001019070150 1214190752 /nfs/dbraw/zinc/19/07/52/1214190752.db2.gz ATAYIKUEBBJQIS-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019112475 1214197651 /nfs/dbraw/zinc/19/76/51/1214197651.db2.gz UCEMTKCXLIJKNK-ZACQAIPSSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001020174713 1214316474 /nfs/dbraw/zinc/31/64/74/1214316474.db2.gz NWOZDBNCJNUIGG-ZQDZILKHSA-N 2 1 362.478 0.275 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC001020287704 1214329578 /nfs/dbraw/zinc/32/95/78/1214329578.db2.gz HTJHIHCOTLGKBI-BASLNEPJSA-N 2 1 360.458 0.241 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC001020287704 1214329585 /nfs/dbraw/zinc/32/95/85/1214329585.db2.gz HTJHIHCOTLGKBI-BASLNEPJSA-N 2 1 360.458 0.241 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000961989884 1214393346 /nfs/dbraw/zinc/39/33/46/1214393346.db2.gz HUWFVNVGYZSNMU-YOODTLSXSA-N 2 1 361.486 0.882 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000961989884 1214393353 /nfs/dbraw/zinc/39/33/53/1214393353.db2.gz HUWFVNVGYZSNMU-YOODTLSXSA-N 2 1 361.486 0.882 20 0 FCADMP COc1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000961990608 1214394632 /nfs/dbraw/zinc/39/46/32/1214394632.db2.gz MXUOYFUFVGROHR-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000961990608 1214394639 /nfs/dbraw/zinc/39/46/39/1214394639.db2.gz MXUOYFUFVGROHR-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cnnn2C)CC3)CC[N@H+]1C ZINC001040707536 1214570504 /nfs/dbraw/zinc/57/05/04/1214570504.db2.gz DTEFSPIQZVEYDR-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963043433 1214721415 /nfs/dbraw/zinc/72/14/15/1214721415.db2.gz WJISEACDBCSUTK-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001221950765 1225550520 /nfs/dbraw/zinc/55/05/20/1225550520.db2.gz WZMYJLZOXKQKJZ-KZNAEPCWSA-N 2 1 369.506 0.293 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)nc(C)[nH+]1 ZINC001041201869 1214747412 /nfs/dbraw/zinc/74/74/12/1214747412.db2.gz MJLRVUXPWPCFKV-GVDBMIGSSA-N 2 1 361.490 0.737 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)nc(C)[nH+]1 ZINC001041201869 1214747418 /nfs/dbraw/zinc/74/74/18/1214747418.db2.gz MJLRVUXPWPCFKV-GVDBMIGSSA-N 2 1 361.490 0.737 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949547 1225548052 /nfs/dbraw/zinc/54/80/52/1225548052.db2.gz BGCANQJRSYATRB-BZUAXINKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949547 1225548054 /nfs/dbraw/zinc/54/80/54/1225548054.db2.gz BGCANQJRSYATRB-BZUAXINKSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963485373 1214813798 /nfs/dbraw/zinc/81/37/98/1214813798.db2.gz AXJCOSCSWRZSGP-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]CC(=O)N3CCC3)CC2)O1 ZINC000963550405 1214820576 /nfs/dbraw/zinc/82/05/76/1214820576.db2.gz FSAMMBZXNXBROD-RDHHWEPZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]CC(=O)N3CCC3)CC2)O1 ZINC000963550405 1214820579 /nfs/dbraw/zinc/82/05/79/1214820579.db2.gz FSAMMBZXNXBROD-RDHHWEPZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N2CCCC2)C3)CC[N@H+]1C ZINC000963823540 1214859114 /nfs/dbraw/zinc/85/91/14/1214859114.db2.gz PYYOFGPZUNJCAU-FUNFLYJBSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000963874342 1214866162 /nfs/dbraw/zinc/86/61/62/1214866162.db2.gz UXFAQLNIHQGWRU-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889712 1215263348 /nfs/dbraw/zinc/26/33/48/1215263348.db2.gz AKERMRBROHDSMV-LJQANCHMSA-N 2 1 358.486 0.476 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889712 1215263351 /nfs/dbraw/zinc/26/33/51/1215263351.db2.gz AKERMRBROHDSMV-LJQANCHMSA-N 2 1 358.486 0.476 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222045748 1225588903 /nfs/dbraw/zinc/58/89/03/1225588903.db2.gz SUTLUMAUJDXRGI-QZTJIDSGSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222045748 1225588904 /nfs/dbraw/zinc/58/89/04/1225588904.db2.gz SUTLUMAUJDXRGI-QZTJIDSGSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC3CC3)C[C@H]21 ZINC001222050693 1225591125 /nfs/dbraw/zinc/59/11/25/1225591125.db2.gz CWALNBMHSAXCTG-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)cnc12 ZINC001222095050 1225599384 /nfs/dbraw/zinc/59/93/84/1225599384.db2.gz NNHIOSSNHKURAG-UHFFFAOYSA-N 3 1 369.517 0.724 20 0 FCADMP c1c(C2CC[NH2+]CC2)nn2cc(CN3CCNC4(CC[NH2+]CC4)C3)cnc12 ZINC001222095050 1225599388 /nfs/dbraw/zinc/59/93/88/1225599388.db2.gz NNHIOSSNHKURAG-UHFFFAOYSA-N 2 1 369.517 0.724 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055651322 1215899483 /nfs/dbraw/zinc/89/94/83/1215899483.db2.gz IWTNOYHIWPMNGT-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001055651634 1215899517 /nfs/dbraw/zinc/89/95/17/1215899517.db2.gz UYEINIUNAXKBLL-HYVNUMGLSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013386 1215924383 /nfs/dbraw/zinc/92/43/83/1215924383.db2.gz KYXHIBYTHSTSSQ-FPCVCCKLSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013386 1215924390 /nfs/dbraw/zinc/92/43/90/1215924390.db2.gz KYXHIBYTHSTSSQ-FPCVCCKLSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013387 1215924704 /nfs/dbraw/zinc/92/47/04/1215924704.db2.gz KYXHIBYTHSTSSQ-WCVJEAGWSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013387 1215924709 /nfs/dbraw/zinc/92/47/09/1215924709.db2.gz KYXHIBYTHSTSSQ-WCVJEAGWSA-N 2 1 362.478 0.044 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455687 1215973277 /nfs/dbraw/zinc/97/32/77/1215973277.db2.gz GWZVHVNBOYKCPP-WCXIOVBPSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455687 1215973280 /nfs/dbraw/zinc/97/32/80/1215973280.db2.gz GWZVHVNBOYKCPP-WCXIOVBPSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001000457685 1216062645 /nfs/dbraw/zinc/06/26/45/1216062645.db2.gz DOARFIYZNIWALP-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001000457685 1216062650 /nfs/dbraw/zinc/06/26/50/1216062650.db2.gz DOARFIYZNIWALP-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001000457684 1216063295 /nfs/dbraw/zinc/06/32/95/1216063295.db2.gz DOARFIYZNIWALP-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001000457684 1216063299 /nfs/dbraw/zinc/06/32/99/1216063299.db2.gz DOARFIYZNIWALP-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001001524368 1216233560 /nfs/dbraw/zinc/23/35/60/1216233560.db2.gz ZQQDWCGRICKFSU-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001001524368 1216233568 /nfs/dbraw/zinc/23/35/68/1216233568.db2.gz ZQQDWCGRICKFSU-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)CC[N@@H+]1C ZINC001050051436 1216275552 /nfs/dbraw/zinc/27/55/52/1216275552.db2.gz VDVGJDMHYHBUTN-DZJNRPSUSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)CC[N@H+]1C ZINC001050051436 1216275559 /nfs/dbraw/zinc/27/55/59/1216275559.db2.gz VDVGJDMHYHBUTN-DZJNRPSUSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC[NH+]1C ZINC001050051436 1216275567 /nfs/dbraw/zinc/27/55/67/1216275567.db2.gz VDVGJDMHYHBUTN-DZJNRPSUSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC[NH+]1C ZINC001050051436 1216275573 /nfs/dbraw/zinc/27/55/73/1216275573.db2.gz VDVGJDMHYHBUTN-DZJNRPSUSA-N 2 1 360.506 0.968 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001051440717 1216449663 /nfs/dbraw/zinc/44/96/63/1216449663.db2.gz CDOFXCLMXAIXGQ-OAGGEKHMSA-N 2 1 370.461 0.183 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001051440717 1216449672 /nfs/dbraw/zinc/44/96/72/1216449672.db2.gz CDOFXCLMXAIXGQ-OAGGEKHMSA-N 2 1 370.461 0.183 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccnc3C)C2)CC[N@H+]1C ZINC001051624398 1216467947 /nfs/dbraw/zinc/46/79/47/1216467947.db2.gz PKJWJRROWVXWCI-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057738650 1216528836 /nfs/dbraw/zinc/52/88/36/1216528836.db2.gz DRIIPUSNMIAQNW-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057738650 1216528842 /nfs/dbraw/zinc/52/88/42/1216528842.db2.gz DRIIPUSNMIAQNW-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057738650 1216528847 /nfs/dbraw/zinc/52/88/47/1216528847.db2.gz DRIIPUSNMIAQNW-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001057746281 1216537056 /nfs/dbraw/zinc/53/70/56/1216537056.db2.gz RGVHXWSJHBWNSV-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001057746281 1216537060 /nfs/dbraw/zinc/53/70/60/1216537060.db2.gz RGVHXWSJHBWNSV-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057746281 1216537068 /nfs/dbraw/zinc/53/70/68/1216537068.db2.gz RGVHXWSJHBWNSV-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C(C)C)[C@H]2C1 ZINC001223116413 1225682531 /nfs/dbraw/zinc/68/25/31/1225682531.db2.gz VSPIUTNEXVMJSB-SJORKVTESA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C(C)C)[C@H]2C1 ZINC001223116413 1225682536 /nfs/dbraw/zinc/68/25/36/1225682536.db2.gz VSPIUTNEXVMJSB-SJORKVTESA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057966479 1216611338 /nfs/dbraw/zinc/61/13/38/1216611338.db2.gz JFSZEXGZQPLKKE-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057966479 1216611345 /nfs/dbraw/zinc/61/13/45/1216611345.db2.gz JFSZEXGZQPLKKE-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057966479 1216611352 /nfs/dbraw/zinc/61/13/52/1216611352.db2.gz JFSZEXGZQPLKKE-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827706337 1216643267 /nfs/dbraw/zinc/64/32/67/1216643267.db2.gz LMIUJXFLOJLZKT-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068884800 1216764350 /nfs/dbraw/zinc/76/43/50/1216764350.db2.gz ILRYIFJZZRTRLN-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)CC[N@H+]1C ZINC001069014873 1216772510 /nfs/dbraw/zinc/77/25/10/1216772510.db2.gz MYCQHJQEUAOAQA-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP COCCOC[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248365 1225694481 /nfs/dbraw/zinc/69/44/81/1225694481.db2.gz JFQUQPKHMKMYOC-KBAYOESNSA-N 2 1 371.522 0.179 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CC4CC4)n3CC2)CC[N@H+]1C ZINC001069844869 1216805665 /nfs/dbraw/zinc/80/56/65/1216805665.db2.gz OSCJCXMDWMOYBW-VNQPRFMTSA-N 2 1 360.506 0.939 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945206 1216858797 /nfs/dbraw/zinc/85/87/97/1216858797.db2.gz INKZOBQPMLFUTR-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945206 1216858802 /nfs/dbraw/zinc/85/88/02/1216858802.db2.gz INKZOBQPMLFUTR-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945206 1216858803 /nfs/dbraw/zinc/85/88/03/1216858803.db2.gz INKZOBQPMLFUTR-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945206 1216858804 /nfs/dbraw/zinc/85/88/04/1216858804.db2.gz INKZOBQPMLFUTR-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945330 1216858940 /nfs/dbraw/zinc/85/89/40/1216858940.db2.gz JLKSGRKOLWOFCU-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945330 1216858943 /nfs/dbraw/zinc/85/89/43/1216858943.db2.gz JLKSGRKOLWOFCU-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945330 1216858946 /nfs/dbraw/zinc/85/89/46/1216858946.db2.gz JLKSGRKOLWOFCU-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945330 1216858947 /nfs/dbraw/zinc/85/89/47/1216858947.db2.gz JLKSGRKOLWOFCU-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001069988290 1216885603 /nfs/dbraw/zinc/88/56/03/1216885603.db2.gz QLZMTZZYMTUJQO-FGTMMUONSA-N 2 1 358.490 0.904 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006075 1216893108 /nfs/dbraw/zinc/89/31/08/1216893108.db2.gz CAMCKIZWEWVZBL-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006075 1216893109 /nfs/dbraw/zinc/89/31/09/1216893109.db2.gz CAMCKIZWEWVZBL-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006075 1216893110 /nfs/dbraw/zinc/89/31/10/1216893110.db2.gz CAMCKIZWEWVZBL-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006075 1216893111 /nfs/dbraw/zinc/89/31/11/1216893111.db2.gz CAMCKIZWEWVZBL-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070050475 1216926811 /nfs/dbraw/zinc/92/68/11/1216926811.db2.gz BNVLBNKSCLCDIN-CVEARBPZSA-N 2 1 360.466 0.102 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)[C@H]2C1 ZINC001223425301 1225705585 /nfs/dbraw/zinc/70/55/85/1225705585.db2.gz RLPWIXCJWDAEIM-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)[C@H]2C1 ZINC001223425301 1225705588 /nfs/dbraw/zinc/70/55/88/1225705588.db2.gz RLPWIXCJWDAEIM-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223593399 1225718915 /nfs/dbraw/zinc/71/89/15/1225718915.db2.gz FCDJVUHTODKROY-ZACQAIPSSA-N 2 1 364.490 0.937 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223593399 1225718918 /nfs/dbraw/zinc/71/89/18/1225718918.db2.gz FCDJVUHTODKROY-ZACQAIPSSA-N 2 1 364.490 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N(C)C4CC4)C3)C2)CC[N@H+]1C ZINC001041295992 1217270621 /nfs/dbraw/zinc/27/06/21/1217270621.db2.gz BOXAAFFBXRUYLX-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C4CC4)C3)C2)CC[NH+]1C ZINC001041295992 1217270627 /nfs/dbraw/zinc/27/06/27/1217270627.db2.gz BOXAAFFBXRUYLX-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)N(C)C4CC4)C3)C2)CC[NH+]1C ZINC001041295992 1217270633 /nfs/dbraw/zinc/27/06/33/1217270633.db2.gz BOXAAFFBXRUYLX-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCn4cccn4)C3)C2)O1 ZINC001041402963 1217313538 /nfs/dbraw/zinc/31/35/38/1217313538.db2.gz LSSVDCJFTLRODR-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCn4cccn4)C3)C2)O1 ZINC001041402963 1217313544 /nfs/dbraw/zinc/31/35/44/1217313544.db2.gz LSSVDCJFTLRODR-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCn4cccn4)C3)C2)O1 ZINC001041402963 1217313554 /nfs/dbraw/zinc/31/35/54/1217313554.db2.gz LSSVDCJFTLRODR-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCn4cccn4)C3)C2)O1 ZINC001041402963 1217313558 /nfs/dbraw/zinc/31/35/58/1217313558.db2.gz LSSVDCJFTLRODR-ZHALLVOQSA-N 2 1 361.490 0.527 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916286 1225746369 /nfs/dbraw/zinc/74/63/69/1225746369.db2.gz DYCMYKUMFCFZTL-WBVHZDCISA-N 2 1 364.494 0.299 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916286 1225746373 /nfs/dbraw/zinc/74/63/73/1225746373.db2.gz DYCMYKUMFCFZTL-WBVHZDCISA-N 2 1 364.494 0.299 20 0 FCADMP CCN(C)C(=O)CN1CC[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001224037518 1225753282 /nfs/dbraw/zinc/75/32/82/1225753282.db2.gz VBJJLQJAWPVNJB-WBVHZDCISA-N 2 1 361.490 0.754 20 0 FCADMP CCOCCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131244 1225759523 /nfs/dbraw/zinc/75/95/23/1225759523.db2.gz YCYDUVLQLWIRQU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131244 1225759527 /nfs/dbraw/zinc/75/95/27/1225759527.db2.gz YCYDUVLQLWIRQU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131244 1225759535 /nfs/dbraw/zinc/75/95/35/1225759535.db2.gz YCYDUVLQLWIRQU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131244 1225759539 /nfs/dbraw/zinc/75/95/39/1225759539.db2.gz YCYDUVLQLWIRQU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131244 1225759543 /nfs/dbraw/zinc/75/95/43/1225759543.db2.gz YCYDUVLQLWIRQU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)C1CC1 ZINC001224139894 1225759662 /nfs/dbraw/zinc/75/96/62/1225759662.db2.gz FLISAEUYRFPSLL-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)C1CC1 ZINC001224139894 1225759666 /nfs/dbraw/zinc/75/96/66/1225759666.db2.gz FLISAEUYRFPSLL-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224140248 1225760170 /nfs/dbraw/zinc/76/01/70/1225760170.db2.gz JCXPRHUBNDTJBS-WBVHZDCISA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224140248 1225760174 /nfs/dbraw/zinc/76/01/74/1225760174.db2.gz JCXPRHUBNDTJBS-WBVHZDCISA-N 2 1 359.474 0.641 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233498 1225766220 /nfs/dbraw/zinc/76/62/20/1225766220.db2.gz ULQTVNUBHMWDBR-SQNIBIBYSA-N 2 1 363.506 0.507 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233498 1225766222 /nfs/dbraw/zinc/76/62/22/1225766222.db2.gz ULQTVNUBHMWDBR-SQNIBIBYSA-N 2 1 363.506 0.507 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001224233498 1225766224 /nfs/dbraw/zinc/76/62/24/1225766224.db2.gz ULQTVNUBHMWDBR-SQNIBIBYSA-N 2 1 363.506 0.507 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044334699 1217836467 /nfs/dbraw/zinc/83/64/67/1217836467.db2.gz ZJNBTTNWOYRYMX-SOLBZPMBSA-N 2 1 359.474 0.634 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479068 1217932836 /nfs/dbraw/zinc/93/28/36/1217932836.db2.gz OQJICYDNUMLRFT-RHSMWYFYSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479068 1217932837 /nfs/dbraw/zinc/93/28/37/1217932837.db2.gz OQJICYDNUMLRFT-RHSMWYFYSA-N 2 1 363.506 0.918 20 0 FCADMP CC(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046038959 1217989618 /nfs/dbraw/zinc/98/96/18/1217989618.db2.gz QUDRLMLRHUDDOB-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038959 1217989622 /nfs/dbraw/zinc/98/96/22/1217989622.db2.gz QUDRLMLRHUDDOB-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038959 1217989626 /nfs/dbraw/zinc/98/96/26/1217989626.db2.gz QUDRLMLRHUDDOB-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038959 1217989628 /nfs/dbraw/zinc/98/96/28/1217989628.db2.gz QUDRLMLRHUDDOB-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038959 1217989633 /nfs/dbraw/zinc/98/96/33/1217989633.db2.gz QUDRLMLRHUDDOB-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC000900480564 1217995695 /nfs/dbraw/zinc/99/56/95/1217995695.db2.gz HYVFTMMEUMHKSF-QGZVFWFLSA-N 3 1 364.538 0.933 20 0 FCADMP CNC(=O)CN1CC[C@]2(C1)c1ccccc1N(Cc1cncn1C)C2=O ZINC001276982551 1225785784 /nfs/dbraw/zinc/78/57/84/1225785784.db2.gz WCYYGYKERYENMC-IBGZPJMESA-N 2 1 353.426 0.656 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000901229865 1218096297 /nfs/dbraw/zinc/09/62/97/1218096297.db2.gz VZGRUCJHLIYXMC-INIZCTEOSA-N 2 1 369.506 0.567 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000901229865 1218096302 /nfs/dbraw/zinc/09/63/02/1218096302.db2.gz VZGRUCJHLIYXMC-INIZCTEOSA-N 2 1 369.506 0.567 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000901229865 1218096308 /nfs/dbraw/zinc/09/63/08/1218096308.db2.gz VZGRUCJHLIYXMC-INIZCTEOSA-N 2 1 369.506 0.567 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309936 1218237958 /nfs/dbraw/zinc/23/79/58/1218237958.db2.gz ZXRHCVYYXXFYRA-NBMRYCAZSA-N 2 1 362.518 0.964 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309936 1218237959 /nfs/dbraw/zinc/23/79/59/1218237959.db2.gz ZXRHCVYYXXFYRA-NBMRYCAZSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC2CC2)CC[N@H+]1C ZINC001048527761 1218279952 /nfs/dbraw/zinc/27/99/52/1218279952.db2.gz NGEGGFOHHHVTFL-AGTSVGGPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)CC[NH+]1C ZINC001048527761 1218279962 /nfs/dbraw/zinc/27/99/62/1218279962.db2.gz NGEGGFOHHHVTFL-AGTSVGGPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)CC[NH+]1C ZINC001048527761 1218279969 /nfs/dbraw/zinc/27/99/69/1218279969.db2.gz NGEGGFOHHHVTFL-AGTSVGGPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001048528462 1218280796 /nfs/dbraw/zinc/28/07/96/1218280796.db2.gz WTTMHZBXHRKQBN-OOOWVJFSSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001048528462 1218280802 /nfs/dbraw/zinc/28/08/02/1218280802.db2.gz WTTMHZBXHRKQBN-OOOWVJFSSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001048528462 1218280811 /nfs/dbraw/zinc/28/08/11/1218280811.db2.gz WTTMHZBXHRKQBN-OOOWVJFSSA-N 2 1 362.518 0.917 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001277038377 1225809169 /nfs/dbraw/zinc/80/91/69/1225809169.db2.gz QQYFLTVWMIAELO-IBGZPJMESA-N 2 1 355.442 0.895 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001277038377 1225809171 /nfs/dbraw/zinc/80/91/71/1225809171.db2.gz QQYFLTVWMIAELO-IBGZPJMESA-N 2 1 355.442 0.895 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048824914 1218320838 /nfs/dbraw/zinc/32/08/38/1218320838.db2.gz JUVRSDVJIZLFNK-NLNMYJFZSA-N 2 1 365.518 0.504 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891660 1218335851 /nfs/dbraw/zinc/33/58/51/1218335851.db2.gz TWCRAGWSEBBYPB-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891660 1218335857 /nfs/dbraw/zinc/33/58/57/1218335857.db2.gz TWCRAGWSEBBYPB-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891660 1218335861 /nfs/dbraw/zinc/33/58/61/1218335861.db2.gz TWCRAGWSEBBYPB-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCC[C@@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891660 1218335867 /nfs/dbraw/zinc/33/58/67/1218335867.db2.gz TWCRAGWSEBBYPB-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891245 1218337269 /nfs/dbraw/zinc/33/72/69/1218337269.db2.gz MPBNCWQMRDHTIP-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891245 1218337278 /nfs/dbraw/zinc/33/72/78/1218337278.db2.gz MPBNCWQMRDHTIP-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891245 1218337284 /nfs/dbraw/zinc/33/72/84/1218337284.db2.gz MPBNCWQMRDHTIP-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]3C2)O1 ZINC001048891245 1218337292 /nfs/dbraw/zinc/33/72/92/1218337292.db2.gz MPBNCWQMRDHTIP-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000803564424 1218437031 /nfs/dbraw/zinc/43/70/31/1218437031.db2.gz MAROCLHOAKDLJL-IKGGRYGDSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)CC1 ZINC001049476239 1218458709 /nfs/dbraw/zinc/45/87/09/1218458709.db2.gz ADIWVJQCTZVRDO-YRXWBPOGSA-N 2 1 365.518 0.791 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538352 1218459637 /nfs/dbraw/zinc/45/96/37/1218459637.db2.gz GKFYEZICHPAPAU-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538352 1218459640 /nfs/dbraw/zinc/45/96/40/1218459640.db2.gz GKFYEZICHPAPAU-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538352 1218459648 /nfs/dbraw/zinc/45/96/48/1218459648.db2.gz GKFYEZICHPAPAU-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538352 1218459655 /nfs/dbraw/zinc/45/96/55/1218459655.db2.gz GKFYEZICHPAPAU-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001096548660 1218476701 /nfs/dbraw/zinc/47/67/01/1218476701.db2.gz LYJWAZBJZPEUNB-YVSFHVDLSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001096548660 1218476704 /nfs/dbraw/zinc/47/67/04/1218476704.db2.gz LYJWAZBJZPEUNB-YVSFHVDLSA-N 2 1 359.474 0.829 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547463 1218485002 /nfs/dbraw/zinc/48/50/02/1218485002.db2.gz FHHHPOZXMTUIJL-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547463 1218485005 /nfs/dbraw/zinc/48/50/05/1218485005.db2.gz FHHHPOZXMTUIJL-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCn2cncn2)O1 ZINC001049547463 1218485008 /nfs/dbraw/zinc/48/50/08/1218485008.db2.gz FHHHPOZXMTUIJL-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCn2cncn2)O1 ZINC001049547463 1218485011 /nfs/dbraw/zinc/48/50/11/1218485011.db2.gz FHHHPOZXMTUIJL-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757605 1218516695 /nfs/dbraw/zinc/51/66/95/1218516695.db2.gz DVSUAIRUQHHLQW-HUUCEWRRSA-N 2 1 363.462 0.860 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000903770850 1218521867 /nfs/dbraw/zinc/52/18/67/1218521867.db2.gz ZKXZAFJLYYHKBH-XLMAVXFVSA-N 2 1 361.490 0.803 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745873 1218544722 /nfs/dbraw/zinc/54/47/22/1218544722.db2.gz HRKWTWNGEKEOPR-FCGDIQPGSA-N 2 1 370.497 0.882 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745873 1218544728 /nfs/dbraw/zinc/54/47/28/1218544728.db2.gz HRKWTWNGEKEOPR-FCGDIQPGSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745873 1218544734 /nfs/dbraw/zinc/54/47/34/1218544734.db2.gz HRKWTWNGEKEOPR-FCGDIQPGSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745873 1218544737 /nfs/dbraw/zinc/54/47/37/1218544737.db2.gz HRKWTWNGEKEOPR-FCGDIQPGSA-N 2 1 370.497 0.882 20 0 FCADMP Nc1nc(C2CC2)nc(N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903824221 1218548083 /nfs/dbraw/zinc/54/80/83/1218548083.db2.gz NQJCYWNVJIWGTM-OAHLLOKOSA-N 2 1 373.505 0.612 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)C1 ZINC001096583166 1218564221 /nfs/dbraw/zinc/56/42/21/1218564221.db2.gz KDRIMCMMUHUZAE-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001096583166 1218564228 /nfs/dbraw/zinc/56/42/28/1218564228.db2.gz KDRIMCMMUHUZAE-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001096583166 1218564236 /nfs/dbraw/zinc/56/42/36/1218564236.db2.gz KDRIMCMMUHUZAE-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)C1 ZINC001096583166 1218564255 /nfs/dbraw/zinc/56/42/55/1218564255.db2.gz KDRIMCMMUHUZAE-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001097095531 1218687465 /nfs/dbraw/zinc/68/74/65/1218687465.db2.gz RORCESHPNWYOCJ-SIXLDLHFSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001097095531 1218687473 /nfs/dbraw/zinc/68/74/73/1218687473.db2.gz RORCESHPNWYOCJ-SIXLDLHFSA-N 2 1 374.489 0.011 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000826882997 1218910236 /nfs/dbraw/zinc/91/02/36/1218910236.db2.gz QSCQGLHKBRKOLL-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)CCOC)CC2)CC[N@H+]1C ZINC001055486668 1219059042 /nfs/dbraw/zinc/05/90/42/1219059042.db2.gz ZTZUGPDPOWPQEG-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)OC)CC2)CC[N@H+]1C ZINC001055534269 1219070506 /nfs/dbraw/zinc/07/05/06/1219070506.db2.gz FHKUWGSINZBYAE-BHYGNILZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H](OC)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583612 1219088352 /nfs/dbraw/zinc/08/83/52/1219088352.db2.gz VBYGKLHCJQNRKH-OIISXLGYSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)CCOC)CC2)CC[N@H+]1C ZINC001055583715 1219088389 /nfs/dbraw/zinc/08/83/89/1219088389.db2.gz ZVUYSHMAXNZURW-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055583119 1219088402 /nfs/dbraw/zinc/08/84/02/1219088402.db2.gz YZSRKGPNBYMUAX-BPQIPLTHSA-N 2 1 362.518 0.681 20 0 FCADMP CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583682 1219088650 /nfs/dbraw/zinc/08/86/50/1219088650.db2.gz YCPWWLKHOYGFKH-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055587228 1219090114 /nfs/dbraw/zinc/09/01/14/1219090114.db2.gz WKZGAFKIOFJMRB-KXBFYZLASA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804049239 1219102215 /nfs/dbraw/zinc/10/22/15/1219102215.db2.gz CAQCTDQGYQBSKY-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000804058952 1219112681 /nfs/dbraw/zinc/11/26/81/1219112681.db2.gz HAVPZHMLZFKBSI-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804059675 1219114040 /nfs/dbraw/zinc/11/40/40/1219114040.db2.gz JRSASMHRRDQKBL-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444394 1225874679 /nfs/dbraw/zinc/87/46/79/1225874679.db2.gz QMVSXLLWHYBJSQ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444394 1225874680 /nfs/dbraw/zinc/87/46/80/1225874680.db2.gz QMVSXLLWHYBJSQ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158492 1219244554 /nfs/dbraw/zinc/24/45/54/1219244554.db2.gz MTSXSROBYFDOIR-SQNIBIBYSA-N 2 1 369.473 0.617 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070183559 1219276601 /nfs/dbraw/zinc/27/66/01/1219276601.db2.gz MKLIWBXSSVCDMG-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070183559 1219276602 /nfs/dbraw/zinc/27/66/02/1219276602.db2.gz MKLIWBXSSVCDMG-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070183559 1219276605 /nfs/dbraw/zinc/27/66/05/1219276605.db2.gz MKLIWBXSSVCDMG-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326838 1219376561 /nfs/dbraw/zinc/37/65/61/1219376561.db2.gz FVRXGVFVUVEITO-BBWFWOEESA-N 2 1 355.446 0.167 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)on1 ZINC001070327004 1219377329 /nfs/dbraw/zinc/37/73/29/1219377329.db2.gz NMNVILAGUPBZOH-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)on1 ZINC001070327004 1219377334 /nfs/dbraw/zinc/37/73/34/1219377334.db2.gz NMNVILAGUPBZOH-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327251 1219378431 /nfs/dbraw/zinc/37/84/31/1219378431.db2.gz ZMVDAINPLAXSPM-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327251 1219378436 /nfs/dbraw/zinc/37/84/36/1219378436.db2.gz ZMVDAINPLAXSPM-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070378221 1219404911 /nfs/dbraw/zinc/40/49/11/1219404911.db2.gz GFPSKXWPGHTVFW-GMBSWORKSA-N 2 1 368.497 0.916 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070475346 1219426337 /nfs/dbraw/zinc/42/63/37/1219426337.db2.gz OMUPXDOCTYWABR-CGTJXYLNSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)c1 ZINC001070477804 1219428416 /nfs/dbraw/zinc/42/84/16/1219428416.db2.gz UFPZDRKYWPXLFI-CGTJXYLNSA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)c1 ZINC001070477804 1219428418 /nfs/dbraw/zinc/42/84/18/1219428418.db2.gz UFPZDRKYWPXLFI-CGTJXYLNSA-N 2 1 361.490 0.435 20 0 FCADMP COc1ccnc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277260945 1225893446 /nfs/dbraw/zinc/89/34/46/1225893446.db2.gz QMAHOBHFDBSKMI-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccnc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277260945 1225893447 /nfs/dbraw/zinc/89/34/47/1225893447.db2.gz QMAHOBHFDBSKMI-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070629713 1219494492 /nfs/dbraw/zinc/49/44/92/1219494492.db2.gz SHSJZKBEXKUDOG-KZNAEPCWSA-N 2 1 368.485 0.994 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277274318 1225896718 /nfs/dbraw/zinc/89/67/18/1225896718.db2.gz MKPWIRMZBSSJRJ-OXFYSEKESA-N 2 1 362.518 0.870 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070680748 1219522141 /nfs/dbraw/zinc/52/21/41/1219522141.db2.gz AGFWFNAVOHQAER-GVDBMIGSSA-N 2 1 363.506 0.418 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccon1 ZINC001070710460 1219537585 /nfs/dbraw/zinc/53/75/85/1219537585.db2.gz AXXUDCZMZBYURN-HZPDHXFCSA-N 2 1 370.457 0.588 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2cncn2C)n1 ZINC001070718542 1219541159 /nfs/dbraw/zinc/54/11/59/1219541159.db2.gz AATCQPUEEAYAMO-IAGOWNOFSA-N 2 1 371.489 0.334 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071055647 1219596286 /nfs/dbraw/zinc/59/62/86/1219596286.db2.gz PDBPVQGNHHGDRT-RYRKJORJSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCN(C)C2=O)C3)CC[N@H+]1C ZINC001072755154 1219621490 /nfs/dbraw/zinc/62/14/90/1219621490.db2.gz WMQOQDKHYUMRSR-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC001072755154 1219621491 /nfs/dbraw/zinc/62/14/91/1219621491.db2.gz WMQOQDKHYUMRSR-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC001072755154 1219621492 /nfs/dbraw/zinc/62/14/92/1219621492.db2.gz WMQOQDKHYUMRSR-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP COc1cncc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072752451 1219621668 /nfs/dbraw/zinc/62/16/68/1219621668.db2.gz KUHGJHNPXHARBM-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072752451 1219621671 /nfs/dbraw/zinc/62/16/71/1219621671.db2.gz KUHGJHNPXHARBM-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072752451 1219621673 /nfs/dbraw/zinc/62/16/73/1219621673.db2.gz KUHGJHNPXHARBM-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072752451 1219621676 /nfs/dbraw/zinc/62/16/76/1219621676.db2.gz KUHGJHNPXHARBM-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2C(=O)CCC2=O)C3)CC[N@H+]1C ZINC001072752529 1219621706 /nfs/dbraw/zinc/62/17/06/1219621706.db2.gz OFHWPNWMVYYAFU-HUUCEWRRSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CCN2C(=O)CCC2=O)C3)CC[NH+]1C ZINC001072752529 1219621709 /nfs/dbraw/zinc/62/17/09/1219621709.db2.gz OFHWPNWMVYYAFU-HUUCEWRRSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCN2C(=O)CCC2=O)C3)CC[NH+]1C ZINC001072752529 1219621710 /nfs/dbraw/zinc/62/17/10/1219621710.db2.gz OFHWPNWMVYYAFU-HUUCEWRRSA-N 2 1 362.474 0.010 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073175841 1219641802 /nfs/dbraw/zinc/64/18/02/1219641802.db2.gz LKTJEVFZHPWNGB-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073175841 1219641805 /nfs/dbraw/zinc/64/18/05/1219641805.db2.gz LKTJEVFZHPWNGB-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073175841 1219641807 /nfs/dbraw/zinc/64/18/07/1219641807.db2.gz LKTJEVFZHPWNGB-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073175841 1219641810 /nfs/dbraw/zinc/64/18/10/1219641810.db2.gz LKTJEVFZHPWNGB-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@H+]1C ZINC001073613776 1219673514 /nfs/dbraw/zinc/67/35/14/1219673514.db2.gz MIKPGIDQEJOINU-YESZJQIVSA-N 2 1 364.494 0.216 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073613776 1219673517 /nfs/dbraw/zinc/67/35/17/1219673517.db2.gz MIKPGIDQEJOINU-YESZJQIVSA-N 2 1 364.494 0.216 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)CCCO2)CC[NH+]1C ZINC001073613776 1219673519 /nfs/dbraw/zinc/67/35/19/1219673519.db2.gz MIKPGIDQEJOINU-YESZJQIVSA-N 2 1 364.494 0.216 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074603531 1219702164 /nfs/dbraw/zinc/70/21/64/1219702164.db2.gz NFVONTKJOHFOBI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074603531 1219702167 /nfs/dbraw/zinc/70/21/67/1219702167.db2.gz NFVONTKJOHFOBI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603531 1219702170 /nfs/dbraw/zinc/70/21/70/1219702170.db2.gz NFVONTKJOHFOBI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001098219400 1219742244 /nfs/dbraw/zinc/74/22/44/1219742244.db2.gz CSZKKHJQLJRODH-TVFCKZIOSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)n1 ZINC001098219400 1219742246 /nfs/dbraw/zinc/74/22/46/1219742246.db2.gz CSZKKHJQLJRODH-TVFCKZIOSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)n1 ZINC001098219400 1219742251 /nfs/dbraw/zinc/74/22/51/1219742251.db2.gz CSZKKHJQLJRODH-TVFCKZIOSA-N 2 1 360.506 0.958 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001098463827 1219787817 /nfs/dbraw/zinc/78/78/17/1219787817.db2.gz FTAYXIBTEZWQPO-BGTYHANMSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001098463827 1219787820 /nfs/dbraw/zinc/78/78/20/1219787820.db2.gz FTAYXIBTEZWQPO-BGTYHANMSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001098463829 1219787964 /nfs/dbraw/zinc/78/79/64/1219787964.db2.gz FTAYXIBTEZWQPO-NRSFXHEJSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001098463829 1219787965 /nfs/dbraw/zinc/78/79/65/1219787965.db2.gz FTAYXIBTEZWQPO-NRSFXHEJSA-N 2 1 356.470 0.972 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001098602661 1219805443 /nfs/dbraw/zinc/80/54/43/1219805443.db2.gz CSRNYIMQQOADQI-HRCADAONSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001098602661 1219805446 /nfs/dbraw/zinc/80/54/46/1219805446.db2.gz CSRNYIMQQOADQI-HRCADAONSA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685286 1219810558 /nfs/dbraw/zinc/81/05/58/1219810558.db2.gz DUCAJGPYCSLKRR-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)c1ccn2c[nH+]cc2c1 ZINC001098923717 1219865655 /nfs/dbraw/zinc/86/56/55/1219865655.db2.gz AYLMDXRSJPOPNZ-QOKNQOGYSA-N 2 1 353.426 0.807 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001099119168 1219920575 /nfs/dbraw/zinc/92/05/75/1219920575.db2.gz JGEOSPFIVGFDOT-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001099119168 1219920579 /nfs/dbraw/zinc/92/05/79/1219920579.db2.gz JGEOSPFIVGFDOT-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001099119168 1219920583 /nfs/dbraw/zinc/92/05/83/1219920583.db2.gz JGEOSPFIVGFDOT-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001228603218 1225935490 /nfs/dbraw/zinc/93/54/90/1225935490.db2.gz PDPSECGROWOFKF-RBSFLKMASA-N 2 1 363.462 0.972 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099534980 1220026748 /nfs/dbraw/zinc/02/67/48/1220026748.db2.gz GHRNYEJPJKLLQA-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP COC(=O)CCC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000753170350 1220088008 /nfs/dbraw/zinc/08/80/08/1220088008.db2.gz HHUMOGBUDGJBOL-UHFFFAOYSA-N 2 1 366.462 0.625 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171634 1220208770 /nfs/dbraw/zinc/20/87/70/1220208770.db2.gz HAAASFIMPZWDAK-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171634 1220208773 /nfs/dbraw/zinc/20/87/73/1220208773.db2.gz HAAASFIMPZWDAK-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101257383 1220251166 /nfs/dbraw/zinc/25/11/66/1220251166.db2.gz RIENEEFBRSRMBS-OGWOLHLISA-N 2 1 368.497 0.725 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279691 1220264077 /nfs/dbraw/zinc/26/40/77/1220264077.db2.gz VVPIQFPLGLBDQZ-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279691 1220264081 /nfs/dbraw/zinc/26/40/81/1220264081.db2.gz VVPIQFPLGLBDQZ-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101279691 1220264086 /nfs/dbraw/zinc/26/40/86/1220264086.db2.gz VVPIQFPLGLBDQZ-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317045 1220284123 /nfs/dbraw/zinc/28/41/23/1220284123.db2.gz DZTLAAMXSLXJFD-FCEWJHQRSA-N 2 1 361.490 0.968 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001101342733 1220295109 /nfs/dbraw/zinc/29/51/09/1220295109.db2.gz KTQBQZNDEMIFFA-QAPCUYQASA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101344822 1220295376 /nfs/dbraw/zinc/29/53/76/1220295376.db2.gz FVHGEKDDUUFSTG-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342820 1220295704 /nfs/dbraw/zinc/29/57/04/1220295704.db2.gz NZXJRYAMSWQROI-DAYGRLMNSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342820 1220295709 /nfs/dbraw/zinc/29/57/09/1220295709.db2.gz NZXJRYAMSWQROI-DAYGRLMNSA-N 2 1 360.506 0.998 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342849 1220295819 /nfs/dbraw/zinc/29/58/19/1220295819.db2.gz PUKQBFBYDFGPCO-MDZRGWNJSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101366056 1220303951 /nfs/dbraw/zinc/30/39/51/1220303951.db2.gz YRRYCEUWRBRSDT-GJYPPUQNSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101393818 1220319817 /nfs/dbraw/zinc/31/98/17/1220319817.db2.gz HISKZJUNZUFZLD-MDZRGWNJSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101393818 1220319820 /nfs/dbraw/zinc/31/98/20/1220319820.db2.gz HISKZJUNZUFZLD-MDZRGWNJSA-N 2 1 359.474 0.641 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101399960 1220324554 /nfs/dbraw/zinc/32/45/54/1220324554.db2.gz ADRMYZWWZNWRDS-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399990 1220324611 /nfs/dbraw/zinc/32/46/11/1220324611.db2.gz AZIVJDFRZPQGGI-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP Cc1ccnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101431501 1220341445 /nfs/dbraw/zinc/34/14/45/1220341445.db2.gz QPJFBKMGMRFYGZ-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP Cc1ccnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101431501 1220341448 /nfs/dbraw/zinc/34/14/48/1220341448.db2.gz QPJFBKMGMRFYGZ-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101435599 1220344462 /nfs/dbraw/zinc/34/44/62/1220344462.db2.gz YNRLEVQGJMJWNT-VCBZYWHSSA-N 2 1 364.490 0.304 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101477046 1220367877 /nfs/dbraw/zinc/36/78/77/1220367877.db2.gz AKBUQFQMAQWWCM-XLIONFOSSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101477046 1220367882 /nfs/dbraw/zinc/36/78/82/1220367882.db2.gz AKBUQFQMAQWWCM-XLIONFOSSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101477046 1220367887 /nfs/dbraw/zinc/36/78/87/1220367887.db2.gz AKBUQFQMAQWWCM-XLIONFOSSA-N 2 1 364.534 0.975 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982929 1220452711 /nfs/dbraw/zinc/45/27/11/1220452711.db2.gz SGVYBZUBNMIKTL-JOCBIADPSA-N 2 1 368.522 0.163 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982929 1220452713 /nfs/dbraw/zinc/45/27/13/1220452713.db2.gz SGVYBZUBNMIKTL-JOCBIADPSA-N 2 1 368.522 0.163 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982929 1220452716 /nfs/dbraw/zinc/45/27/16/1220452716.db2.gz SGVYBZUBNMIKTL-JOCBIADPSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046061 1220476511 /nfs/dbraw/zinc/47/65/11/1220476511.db2.gz KNPVXTJIRKTBON-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001102088459 1220492267 /nfs/dbraw/zinc/49/22/67/1220492267.db2.gz WIDYLNDWJQEVKR-BFYDXBDKSA-N 2 1 364.490 0.920 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157231 1220528583 /nfs/dbraw/zinc/52/85/83/1220528583.db2.gz CTFVMVDLCOTGKT-IIAWOOMASA-N 2 1 361.490 0.710 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157231 1220528589 /nfs/dbraw/zinc/52/85/89/1220528589.db2.gz CTFVMVDLCOTGKT-IIAWOOMASA-N 2 1 361.490 0.710 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001229037192 1225974234 /nfs/dbraw/zinc/97/42/34/1225974234.db2.gz HTZWNIYBOAMSHZ-IACUBPJLSA-N 2 1 364.450 0.061 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276253 1220569634 /nfs/dbraw/zinc/56/96/34/1220569634.db2.gz LEFPUEZSUMIROK-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276253 1220569639 /nfs/dbraw/zinc/56/96/39/1220569639.db2.gz LEFPUEZSUMIROK-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276253 1220569646 /nfs/dbraw/zinc/56/96/46/1220569646.db2.gz LEFPUEZSUMIROK-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290479 1220575439 /nfs/dbraw/zinc/57/54/39/1220575439.db2.gz GFQRCHACSSIYGP-BRWVUGGUSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318795 1220582033 /nfs/dbraw/zinc/58/20/33/1220582033.db2.gz KJXOJSXSZFPLKR-DDUZABMNSA-N 2 1 364.465 0.988 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318795 1220582037 /nfs/dbraw/zinc/58/20/37/1220582037.db2.gz KJXOJSXSZFPLKR-DDUZABMNSA-N 2 1 364.465 0.988 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320813 1220584702 /nfs/dbraw/zinc/58/47/02/1220584702.db2.gz UPQNJTIHWWUHMV-ZACQAIPSSA-N 2 1 371.522 0.179 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102369762 1220595298 /nfs/dbraw/zinc/59/52/98/1220595298.db2.gz GOJDCYLOIZGNBI-IIDMSEBBSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102369762 1220595306 /nfs/dbraw/zinc/59/53/06/1220595306.db2.gz GOJDCYLOIZGNBI-IIDMSEBBSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102369762 1220595313 /nfs/dbraw/zinc/59/53/13/1220595313.db2.gz GOJDCYLOIZGNBI-IIDMSEBBSA-N 2 1 362.522 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375622 1220600073 /nfs/dbraw/zinc/60/00/73/1220600073.db2.gz UHIJWLBGKREOJF-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375622 1220600078 /nfs/dbraw/zinc/60/00/78/1220600078.db2.gz UHIJWLBGKREOJF-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375622 1220600087 /nfs/dbraw/zinc/60/00/87/1220600087.db2.gz UHIJWLBGKREOJF-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375544 1220600456 /nfs/dbraw/zinc/60/04/56/1220600456.db2.gz PCTWRTOGGRRPFX-RBSFLKMASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375544 1220600463 /nfs/dbraw/zinc/60/04/63/1220600463.db2.gz PCTWRTOGGRRPFX-RBSFLKMASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375544 1220600469 /nfs/dbraw/zinc/60/04/69/1220600469.db2.gz PCTWRTOGGRRPFX-RBSFLKMASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375543 1220600545 /nfs/dbraw/zinc/60/05/45/1220600545.db2.gz PCTWRTOGGRRPFX-KFWWJZLASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375543 1220600552 /nfs/dbraw/zinc/60/05/52/1220600552.db2.gz PCTWRTOGGRRPFX-KFWWJZLASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375543 1220600556 /nfs/dbraw/zinc/60/05/56/1220600556.db2.gz PCTWRTOGGRRPFX-KFWWJZLASA-N 2 1 364.490 0.208 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464587 1220636111 /nfs/dbraw/zinc/63/61/11/1220636111.db2.gz XQRTYTFBWPLQMH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464587 1220636115 /nfs/dbraw/zinc/63/61/15/1220636115.db2.gz XQRTYTFBWPLQMH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102465945 1220637464 /nfs/dbraw/zinc/63/74/64/1220637464.db2.gz DHUHXAVZIVSMOY-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102465945 1220637466 /nfs/dbraw/zinc/63/74/66/1220637466.db2.gz DHUHXAVZIVSMOY-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102473544 1220643813 /nfs/dbraw/zinc/64/38/13/1220643813.db2.gz FCRLTRDBYCKGFL-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102475157 1220645089 /nfs/dbraw/zinc/64/50/89/1220645089.db2.gz ADJLVQQAGYBCKQ-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484770 1220649695 /nfs/dbraw/zinc/64/96/95/1220649695.db2.gz WVRICEGLJVCBNR-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484770 1220649697 /nfs/dbraw/zinc/64/96/97/1220649697.db2.gz WVRICEGLJVCBNR-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489216 1220652328 /nfs/dbraw/zinc/65/23/28/1220652328.db2.gz XPRLMNSOXJENCU-IAGOWNOFSA-N 2 1 371.522 0.444 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497181 1220657702 /nfs/dbraw/zinc/65/77/02/1220657702.db2.gz FALHLNLAVFLUHQ-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497181 1220657705 /nfs/dbraw/zinc/65/77/05/1220657705.db2.gz FALHLNLAVFLUHQ-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497181 1220657707 /nfs/dbraw/zinc/65/77/07/1220657707.db2.gz FALHLNLAVFLUHQ-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP COc1ncccc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511135 1220670337 /nfs/dbraw/zinc/67/03/37/1220670337.db2.gz KTVAHFAZDSSJAW-NVXWUHKLSA-N 2 1 364.490 0.853 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513734 1220672078 /nfs/dbraw/zinc/67/20/78/1220672078.db2.gz ZHWSZXPKRSRBAD-CRAIPNDOSA-N 2 1 365.522 0.762 20 0 FCADMP CCn1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513720 1220672256 /nfs/dbraw/zinc/67/22/56/1220672256.db2.gz YPWARFKWHPDYMT-GDBMZVCRSA-N 2 1 366.510 0.369 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513720 1220672258 /nfs/dbraw/zinc/67/22/58/1220672258.db2.gz YPWARFKWHPDYMT-GDBMZVCRSA-N 2 1 366.510 0.369 20 0 FCADMP CCc1noc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102514022 1220673428 /nfs/dbraw/zinc/67/34/28/1220673428.db2.gz JKZNUNAQSRYUDG-RBSFLKMASA-N 2 1 367.494 0.955 20 0 FCADMP CCc1noc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102514022 1220673431 /nfs/dbraw/zinc/67/34/31/1220673431.db2.gz JKZNUNAQSRYUDG-RBSFLKMASA-N 2 1 367.494 0.955 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514059 1220673800 /nfs/dbraw/zinc/67/38/00/1220673800.db2.gz LFYAADIJDNXEQH-BZUAXINKSA-N 2 1 370.538 0.552 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580833 1220702627 /nfs/dbraw/zinc/70/26/27/1220702627.db2.gz NKBQUJBQSYIRTC-IXDOHACOSA-N 2 1 363.506 0.573 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102613352 1220732179 /nfs/dbraw/zinc/73/21/79/1220732179.db2.gz WVXVCDMLJWNYQE-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102613352 1220732187 /nfs/dbraw/zinc/73/21/87/1220732187.db2.gz WVXVCDMLJWNYQE-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001102613352 1220732193 /nfs/dbraw/zinc/73/21/93/1220732193.db2.gz WVXVCDMLJWNYQE-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001102613352 1220732203 /nfs/dbraw/zinc/73/22/03/1220732203.db2.gz WVXVCDMLJWNYQE-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819576 1220792478 /nfs/dbraw/zinc/79/24/78/1220792478.db2.gz VQWTUUQDQLDLHO-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819576 1220792483 /nfs/dbraw/zinc/79/24/83/1220792483.db2.gz VQWTUUQDQLDLHO-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819576 1220792488 /nfs/dbraw/zinc/79/24/88/1220792488.db2.gz VQWTUUQDQLDLHO-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819576 1220792489 /nfs/dbraw/zinc/79/24/89/1220792489.db2.gz VQWTUUQDQLDLHO-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993930 1220817500 /nfs/dbraw/zinc/81/75/00/1220817500.db2.gz KFZFZQFFIACUNT-NXHRZFHOSA-N 2 1 360.506 0.694 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001103086658 1220830953 /nfs/dbraw/zinc/83/09/53/1220830953.db2.gz MIKRLPAZGDCPSG-BZUAXINKSA-N 2 1 361.490 0.923 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001103086658 1220830954 /nfs/dbraw/zinc/83/09/54/1220830954.db2.gz MIKRLPAZGDCPSG-BZUAXINKSA-N 2 1 361.490 0.923 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103086495 1220831369 /nfs/dbraw/zinc/83/13/69/1220831369.db2.gz FSPOQALFCONSFQ-LSBZLQRGSA-N 2 1 364.534 0.927 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140242 1220839729 /nfs/dbraw/zinc/83/97/29/1220839729.db2.gz UFJTVQINLULVDT-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170947 1220843912 /nfs/dbraw/zinc/84/39/12/1220843912.db2.gz KXQNIWKMGUHWFL-MGPQQGTHSA-N 2 1 365.478 0.559 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170947 1220843913 /nfs/dbraw/zinc/84/39/13/1220843913.db2.gz KXQNIWKMGUHWFL-MGPQQGTHSA-N 2 1 365.478 0.559 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436314 1220882328 /nfs/dbraw/zinc/88/23/28/1220882328.db2.gz SVNIUZRIRHHKOE-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436314 1220882329 /nfs/dbraw/zinc/88/23/29/1220882329.db2.gz SVNIUZRIRHHKOE-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436314 1220882332 /nfs/dbraw/zinc/88/23/32/1220882332.db2.gz SVNIUZRIRHHKOE-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001103445136 1220884893 /nfs/dbraw/zinc/88/48/93/1220884893.db2.gz ZOXBXHXFWPZUDJ-ZACQAIPSSA-N 2 1 370.538 0.554 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536800 1220897164 /nfs/dbraw/zinc/89/71/64/1220897164.db2.gz CWZHZVXVWAYSGM-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536800 1220897166 /nfs/dbraw/zinc/89/71/66/1220897166.db2.gz CWZHZVXVWAYSGM-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584419 1220908040 /nfs/dbraw/zinc/90/80/40/1220908040.db2.gz SXJDXLYBAALCPO-IAGOWNOFSA-N 2 1 371.522 0.180 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001103643138 1220925490 /nfs/dbraw/zinc/92/54/90/1220925490.db2.gz FBNWPRWPODOBMM-NVXWUHKLSA-N 2 1 363.506 0.937 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643191 1220926650 /nfs/dbraw/zinc/92/66/50/1220926650.db2.gz GGXLYXIBKQWYNP-OWCLPIDISA-N 2 1 366.510 0.529 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001103663567 1220933395 /nfs/dbraw/zinc/93/33/95/1220933395.db2.gz IBEIHPKRGJJROT-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001103663567 1220933399 /nfs/dbraw/zinc/93/33/99/1220933399.db2.gz IBEIHPKRGJJROT-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001103663567 1220933404 /nfs/dbraw/zinc/93/34/04/1220933404.db2.gz IBEIHPKRGJJROT-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719200 1220951462 /nfs/dbraw/zinc/95/14/62/1220951462.db2.gz UUNIOKJQZFVBNU-NXHRZFHOSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719200 1220951466 /nfs/dbraw/zinc/95/14/66/1220951466.db2.gz UUNIOKJQZFVBNU-NXHRZFHOSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719200 1220951469 /nfs/dbraw/zinc/95/14/69/1220951469.db2.gz UUNIOKJQZFVBNU-NXHRZFHOSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723423 1220953140 /nfs/dbraw/zinc/95/31/40/1220953140.db2.gz JGQUDSWCRLAFOT-HUUCEWRRSA-N 2 1 363.462 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723423 1220953143 /nfs/dbraw/zinc/95/31/43/1220953143.db2.gz JGQUDSWCRLAFOT-HUUCEWRRSA-N 2 1 363.462 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103724727 1220953905 /nfs/dbraw/zinc/95/39/05/1220953905.db2.gz QUBUWOOCCSQBMM-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103724727 1220953911 /nfs/dbraw/zinc/95/39/11/1220953911.db2.gz QUBUWOOCCSQBMM-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001103724856 1220954149 /nfs/dbraw/zinc/95/41/49/1220954149.db2.gz WYSWDORRPWXPLA-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001103724856 1220954156 /nfs/dbraw/zinc/95/41/56/1220954156.db2.gz WYSWDORRPWXPLA-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742625 1220960718 /nfs/dbraw/zinc/96/07/18/1220960718.db2.gz OOTYUSKACMGFAO-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742625 1220960726 /nfs/dbraw/zinc/96/07/26/1220960726.db2.gz OOTYUSKACMGFAO-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742625 1220960735 /nfs/dbraw/zinc/96/07/35/1220960735.db2.gz OOTYUSKACMGFAO-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001103742625 1220960740 /nfs/dbraw/zinc/96/07/40/1220960740.db2.gz OOTYUSKACMGFAO-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752335 1220964755 /nfs/dbraw/zinc/96/47/55/1220964755.db2.gz ABDBWANZEZSKQM-HUUCEWRRSA-N 2 1 367.494 0.132 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999729 1220996473 /nfs/dbraw/zinc/99/64/73/1220996473.db2.gz JPZLEVUDZUGJKC-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001103999868 1220997138 /nfs/dbraw/zinc/99/71/38/1220997138.db2.gz NIHVTOLRCLDGJP-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034121 1221001277 /nfs/dbraw/zinc/00/12/77/1221001277.db2.gz SXYXXPLKJZGVBO-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034121 1221001282 /nfs/dbraw/zinc/00/12/82/1221001282.db2.gz SXYXXPLKJZGVBO-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104185690 1221017828 /nfs/dbraw/zinc/01/78/28/1221017828.db2.gz KHRRXJQFELJSDP-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111497079 1221024199 /nfs/dbraw/zinc/02/41/99/1221024199.db2.gz NWOVJHVTEVUPNL-APIJFGDWSA-N 2 1 359.430 0.190 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111497079 1221024203 /nfs/dbraw/zinc/02/42/03/1221024203.db2.gz NWOVJHVTEVUPNL-APIJFGDWSA-N 2 1 359.430 0.190 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111497080 1221024320 /nfs/dbraw/zinc/02/43/20/1221024320.db2.gz NWOVJHVTEVUPNL-KBXIAJHMSA-N 2 1 359.430 0.190 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111497080 1221024323 /nfs/dbraw/zinc/02/43/23/1221024323.db2.gz NWOVJHVTEVUPNL-KBXIAJHMSA-N 2 1 359.430 0.190 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111799777 1221115659 /nfs/dbraw/zinc/11/56/59/1221115659.db2.gz HUDCXHIZJNXKFJ-IEZWGBDMSA-N 2 1 358.442 0.926 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816845 1221125114 /nfs/dbraw/zinc/12/51/14/1221125114.db2.gz AUPSJJOOHQXFHJ-HQRMLTQVSA-N 2 1 362.518 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816845 1221125117 /nfs/dbraw/zinc/12/51/17/1221125117.db2.gz AUPSJJOOHQXFHJ-HQRMLTQVSA-N 2 1 362.518 0.968 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855868 1221138725 /nfs/dbraw/zinc/13/87/25/1221138725.db2.gz PWBIFQFSZZPJMI-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861200 1221140767 /nfs/dbraw/zinc/14/07/67/1221140767.db2.gz BBPUEMGUBKYYSU-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111870804 1221143970 /nfs/dbraw/zinc/14/39/70/1221143970.db2.gz NYELUQAQWJMXJI-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111870804 1221143974 /nfs/dbraw/zinc/14/39/74/1221143974.db2.gz NYELUQAQWJMXJI-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111870804 1221143980 /nfs/dbraw/zinc/14/39/80/1221143980.db2.gz NYELUQAQWJMXJI-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111870804 1221143983 /nfs/dbraw/zinc/14/39/83/1221143983.db2.gz NYELUQAQWJMXJI-KNBMTAEXSA-N 2 1 362.518 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001111925853 1221172659 /nfs/dbraw/zinc/17/26/59/1221172659.db2.gz MPGJCKHWNQEVKB-SCTDSRPQSA-N 2 1 363.506 0.557 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001111925853 1221172662 /nfs/dbraw/zinc/17/26/62/1221172662.db2.gz MPGJCKHWNQEVKB-SCTDSRPQSA-N 2 1 363.506 0.557 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001111925853 1221172664 /nfs/dbraw/zinc/17/26/64/1221172664.db2.gz MPGJCKHWNQEVKB-SCTDSRPQSA-N 2 1 363.506 0.557 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111951143 1221181987 /nfs/dbraw/zinc/18/19/87/1221181987.db2.gz VDQQITNZHCKIDN-DEYYWGMASA-N 2 1 367.494 0.272 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001111951197 1221182747 /nfs/dbraw/zinc/18/27/47/1221182747.db2.gz XJYINKCURAAWFT-LPHOPBHVSA-N 2 1 365.522 0.714 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1 ZINC001112021327 1221202664 /nfs/dbraw/zinc/20/26/64/1221202664.db2.gz HJJCRPATWPPMLC-WMZOPIPTSA-N 2 1 363.462 0.007 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112396766 1221252193 /nfs/dbraw/zinc/25/21/93/1221252193.db2.gz CPVVYFCUIZDDEW-HQRMLTQVSA-N 2 1 365.518 0.840 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)O1 ZINC001112424058 1221256786 /nfs/dbraw/zinc/25/67/86/1221256786.db2.gz OAIOWTDGMQXWCD-OLMMMNRUSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)O1 ZINC001112424058 1221256790 /nfs/dbraw/zinc/25/67/90/1221256790.db2.gz OAIOWTDGMQXWCD-OLMMMNRUSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCCCC2)O1 ZINC001115593982 1221316922 /nfs/dbraw/zinc/31/69/22/1221316922.db2.gz SRWMUHKQTPEUKZ-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCCCC2)O1 ZINC001115593982 1221316925 /nfs/dbraw/zinc/31/69/25/1221316925.db2.gz SRWMUHKQTPEUKZ-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001117886807 1221641938 /nfs/dbraw/zinc/64/19/38/1221641938.db2.gz MNOOBSCNAONJTP-RBUKOAKNSA-N 2 1 372.513 0.782 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001118571541 1221802190 /nfs/dbraw/zinc/80/21/90/1221802190.db2.gz DTPJMYNWMDPBMC-HOTGVXAUSA-N 2 1 362.478 0.387 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118678844 1221818291 /nfs/dbraw/zinc/81/82/91/1221818291.db2.gz RVLIQIMJNLDQOV-IRXDYDNUSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001230284502 1226071927 /nfs/dbraw/zinc/07/19/27/1226071927.db2.gz IHOVMBNAAMFZNU-GVDBMIGSSA-N 2 1 368.522 0.591 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(=O)n4ccccc4n3)nn2)CC1 ZINC001119278414 1221896793 /nfs/dbraw/zinc/89/67/93/1221896793.db2.gz REYVRZFXZOIPEG-UHFFFAOYSA-N 2 1 353.430 0.300 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362806 1221906672 /nfs/dbraw/zinc/90/66/72/1221906672.db2.gz PKVVELYAZUHAPL-LZLYRXPVSA-N 2 1 360.502 0.985 20 0 FCADMP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)C2)CC1 ZINC001119569031 1221934432 /nfs/dbraw/zinc/93/44/32/1221934432.db2.gz YFDAJJVVMHGCSB-LJQANCHMSA-N 2 1 357.502 0.894 20 0 FCADMP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)C2)CC1 ZINC001119569031 1221934435 /nfs/dbraw/zinc/93/44/35/1221934435.db2.gz YFDAJJVVMHGCSB-LJQANCHMSA-N 2 1 357.502 0.894 20 0 FCADMP COc1cc(NC(=O)CC[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(OC)c1OC ZINC001120503642 1222096450 /nfs/dbraw/zinc/09/64/50/1222096450.db2.gz VRWINWZSVAZRBR-SFHVURJKSA-N 2 1 367.446 0.697 20 0 FCADMP COc1cc(NC(=O)CC[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1OC ZINC001120503642 1222096453 /nfs/dbraw/zinc/09/64/53/1222096453.db2.gz VRWINWZSVAZRBR-SFHVURJKSA-N 2 1 367.446 0.697 20 0 FCADMP CC(C)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288875 1222160089 /nfs/dbraw/zinc/16/00/89/1222160089.db2.gz LAWMQYLYCFAVDN-ITFIPKOWSA-N 2 1 366.506 0.247 20 0 FCADMP CC(C)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288875 1222160093 /nfs/dbraw/zinc/16/00/93/1222160093.db2.gz LAWMQYLYCFAVDN-ITFIPKOWSA-N 2 1 366.506 0.247 20 0 FCADMP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001121920648 1222223671 /nfs/dbraw/zinc/22/36/71/1222223671.db2.gz JZWMDBVEHLWKRB-HXUWFJFHSA-N 2 1 374.485 0.464 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC001122433960 1222273494 /nfs/dbraw/zinc/27/34/94/1222273494.db2.gz HALNVJMXCRTIFY-SIBBFIEHSA-N 2 1 364.490 0.086 20 0 FCADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001123696011 1222350911 /nfs/dbraw/zinc/35/09/11/1222350911.db2.gz YYZQKDCRTGEDDT-XYJFISCASA-N 2 1 360.506 0.936 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2C1 ZINC001161176333 1222406109 /nfs/dbraw/zinc/40/61/09/1222406109.db2.gz SZLLMDGWFMOVCD-KSZLIROESA-N 2 1 358.486 0.473 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnc(N)nc2)CC1 ZINC001138162407 1222486740 /nfs/dbraw/zinc/48/67/40/1222486740.db2.gz BQQQOXJSUWFBIE-IAGOWNOFSA-N 2 1 358.490 0.966 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnc(N)nc2)CC1 ZINC001138162407 1222486742 /nfs/dbraw/zinc/48/67/42/1222486742.db2.gz BQQQOXJSUWFBIE-IAGOWNOFSA-N 2 1 358.490 0.966 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3cc(O)cc(O)c3)CC[C@@H]2C1 ZINC001138327286 1222500520 /nfs/dbraw/zinc/50/05/20/1222500520.db2.gz TYINYHZWOAKDKQ-CRAIPNDOSA-N 2 1 363.458 0.709 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000834529230 1222577419 /nfs/dbraw/zinc/57/74/19/1222577419.db2.gz NPUKRYXHCNAAJQ-IYBDPMFKSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000834529230 1222577425 /nfs/dbraw/zinc/57/74/25/1222577425.db2.gz NPUKRYXHCNAAJQ-IYBDPMFKSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000834852950 1222592988 /nfs/dbraw/zinc/59/29/88/1222592988.db2.gz CEHKIRKGEORRHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000834852950 1222592993 /nfs/dbraw/zinc/59/29/93/1222592993.db2.gz CEHKIRKGEORRHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000834852950 1222592995 /nfs/dbraw/zinc/59/29/95/1222592995.db2.gz CEHKIRKGEORRHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000834852950 1222593000 /nfs/dbraw/zinc/59/30/00/1222593000.db2.gz CEHKIRKGEORRHD-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COC(=O)c1cccc2n[nH]c(CN3CCC(=O)N(CC[NH+](C)C)CC3)c21 ZINC001232438767 1226152302 /nfs/dbraw/zinc/15/23/02/1226152302.db2.gz BRIROJGTGAHURU-UHFFFAOYSA-N 2 1 373.457 0.945 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC[NH2+]1 ZINC000841172910 1222811843 /nfs/dbraw/zinc/81/18/43/1222811843.db2.gz DHAJHAPMXRTJJN-OAHLLOKOSA-N 2 1 359.474 0.587 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000841227872 1222815091 /nfs/dbraw/zinc/81/50/91/1222815091.db2.gz IIMFMSBBJVALAZ-IYBDPMFKSA-N 2 1 371.485 0.445 20 0 FCADMP C[C@@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841897317 1222830838 /nfs/dbraw/zinc/83/08/38/1222830838.db2.gz XAXGHXWRJLOIOB-FQEVSTJZSA-N 2 1 373.501 0.630 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000842035212 1222833370 /nfs/dbraw/zinc/83/33/70/1222833370.db2.gz JHQFNQWFLPTHJH-CJNGLKHVSA-N 2 1 370.457 0.920 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164671 1222838154 /nfs/dbraw/zinc/83/81/54/1222838154.db2.gz MGYRKXULOWAKRO-ZWKOTPCHSA-N 2 1 374.485 0.343 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cn1 ZINC000842164136 1222838923 /nfs/dbraw/zinc/83/89/23/1222838923.db2.gz VEBUVBYHDLFJCM-XJKSGUPXSA-N 2 1 370.457 0.920 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000842164131 1222838985 /nfs/dbraw/zinc/83/89/85/1222838985.db2.gz VEBUVBYHDLFJCM-CJNGLKHVSA-N 2 1 370.457 0.920 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000842215467 1222842921 /nfs/dbraw/zinc/84/29/21/1222842921.db2.gz VAKVCXKRTWPCOY-SFHVURJKSA-N 2 1 358.486 0.937 20 0 FCADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843206689 1222860426 /nfs/dbraw/zinc/86/04/26/1222860426.db2.gz DIDMXGMZSDFVTE-OAHLLOKOSA-N 2 1 358.446 0.804 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C[C@@H]1C ZINC000843254611 1222866099 /nfs/dbraw/zinc/86/60/99/1222866099.db2.gz VHVRQGVVHZZZAE-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C[C@@H]1C ZINC000843254611 1222866102 /nfs/dbraw/zinc/86/61/02/1222866102.db2.gz VHVRQGVVHZZZAE-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347541 1222871669 /nfs/dbraw/zinc/87/16/69/1222871669.db2.gz XARHSBXHHIIISM-UONOGXRCSA-N 2 1 365.478 0.864 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347541 1222871671 /nfs/dbraw/zinc/87/16/71/1222871671.db2.gz XARHSBXHHIIISM-UONOGXRCSA-N 2 1 365.478 0.864 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386200 1222874787 /nfs/dbraw/zinc/87/47/87/1222874787.db2.gz DVCFXBDSTMGDAF-DLBZAZTESA-N 2 1 366.506 0.999 20 0 FCADMP Cc1nc(N)ccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277696491 1226160518 /nfs/dbraw/zinc/16/05/18/1226160518.db2.gz WIHCDTXVUCWGBC-IBGZPJMESA-N 2 1 361.490 0.585 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138059 1222917558 /nfs/dbraw/zinc/91/75/58/1222917558.db2.gz RWYLYANKKFEOCA-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](C[C@@H](O)COC)CC1 ZINC001151138043 1222917777 /nfs/dbraw/zinc/91/77/77/1222917777.db2.gz RITKKXBSRICBKO-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001153507069 1222978317 /nfs/dbraw/zinc/97/83/17/1222978317.db2.gz LHPNUSKURRMDRZ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001153507069 1222978320 /nfs/dbraw/zinc/97/83/20/1222978320.db2.gz LHPNUSKURRMDRZ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001153507069 1222978326 /nfs/dbraw/zinc/97/83/26/1222978326.db2.gz LHPNUSKURRMDRZ-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157610079 1223079216 /nfs/dbraw/zinc/07/92/16/1223079216.db2.gz NZNWBIHCQNCNNU-SOLBZPMBSA-N 2 1 358.486 0.438 20 0 FCADMP COc1cnc(N2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)nc1 ZINC001158062711 1223087903 /nfs/dbraw/zinc/08/79/03/1223087903.db2.gz UVZIZQCOLNKRQW-UHFFFAOYSA-N 2 1 370.461 0.529 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001158855510 1223111687 /nfs/dbraw/zinc/11/16/87/1223111687.db2.gz GLASSQKDPGNLIX-HNNXBMFYSA-N 2 1 359.478 0.438 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])Cc1cccc(O)c1)CC2 ZINC001158890949 1223112478 /nfs/dbraw/zinc/11/24/78/1223112478.db2.gz QXPWFDJRFKONQY-QGZVFWFLSA-N 2 1 374.485 0.465 20 0 FCADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159136381 1223118212 /nfs/dbraw/zinc/11/82/12/1223118212.db2.gz WFFZNDYFAMNSLR-OWCLPIDISA-N 2 1 360.462 0.033 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CCC2 ZINC001159482200 1223127733 /nfs/dbraw/zinc/12/77/33/1223127733.db2.gz ZZZYMKRANPOLDX-HZPDHXFCSA-N 2 1 361.490 0.943 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])CC(F)F)CCC2 ZINC001159481367 1223127793 /nfs/dbraw/zinc/12/77/93/1223127793.db2.gz MPVNDRMRLKWTCP-ZDUSSCGKSA-N 2 1 371.432 0.798 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159472865 1223128054 /nfs/dbraw/zinc/12/80/54/1223128054.db2.gz ZKWXXCMKGCMESR-ZIFCJYIRSA-N 3 1 362.518 0.002 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666081 1223132983 /nfs/dbraw/zinc/13/29/83/1223132983.db2.gz OYUNYUHLQVYGHQ-FGTMMUONSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666081 1223132987 /nfs/dbraw/zinc/13/29/87/1223132987.db2.gz OYUNYUHLQVYGHQ-FGTMMUONSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666081 1223132990 /nfs/dbraw/zinc/13/29/90/1223132990.db2.gz OYUNYUHLQVYGHQ-FGTMMUONSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159724629 1223134969 /nfs/dbraw/zinc/13/49/69/1223134969.db2.gz UUMDHHVWTMCXCF-CQSZACIVSA-N 2 1 371.445 0.136 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856317 1223138078 /nfs/dbraw/zinc/13/80/78/1223138078.db2.gz SWJRGHKOAJHQEU-NXHRZFHOSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856317 1223138081 /nfs/dbraw/zinc/13/80/81/1223138081.db2.gz SWJRGHKOAJHQEU-NXHRZFHOSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856317 1223138085 /nfs/dbraw/zinc/13/80/85/1223138085.db2.gz SWJRGHKOAJHQEU-NXHRZFHOSA-N 2 1 373.432 0.783 20 0 FCADMP N[C@]1(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CCC[NH2+]C1 ZINC001159854826 1223138214 /nfs/dbraw/zinc/13/82/14/1223138214.db2.gz GCDJHNLIGNTBSU-SZVBFZGTSA-N 2 1 362.449 0.571 20 0 FCADMP CN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]2C1=O ZINC001159887998 1223139012 /nfs/dbraw/zinc/13/90/12/1223139012.db2.gz ZKOGPPFYRSAWAJ-FGTMMUONSA-N 2 1 368.481 0.255 20 0 FCADMP CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]2C1=O ZINC001159887998 1223139016 /nfs/dbraw/zinc/13/90/16/1223139016.db2.gz ZKOGPPFYRSAWAJ-FGTMMUONSA-N 2 1 368.481 0.255 20 0 FCADMP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155133 1223147574 /nfs/dbraw/zinc/14/75/74/1223147574.db2.gz DSFDJBVYARXUTF-MKXGPGLRSA-N 2 1 362.518 0.382 20 0 FCADMP [NH3+]C[C@]1(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CN2CCC1CC2 ZINC001160518468 1223163208 /nfs/dbraw/zinc/16/32/08/1223163208.db2.gz HCAIDNDHQSNLRQ-IBGZPJMESA-N 2 1 372.521 0.907 20 0 FCADMP COC(=O)C1CCN(c2ccc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)nn2)CC1 ZINC001160514064 1223163437 /nfs/dbraw/zinc/16/34/37/1223163437.db2.gz SVKSDHSHNONQSB-IBGZPJMESA-N 2 1 374.489 0.701 20 0 FCADMP CC(C)(C)OC[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588397 1223165309 /nfs/dbraw/zinc/16/53/09/1223165309.db2.gz AXAGEPQBXBAEKV-AWEZNQCLSA-N 2 1 360.458 0.985 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[NH2+]3)C[C@H]2C1 ZINC001160704871 1223169270 /nfs/dbraw/zinc/16/92/70/1223169270.db2.gz PTZFDBNFOYGJBB-RDGPPVDQSA-N 2 1 370.497 0.486 20 0 FCADMP CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787567 1223172356 /nfs/dbraw/zinc/17/23/56/1223172356.db2.gz LHDRYBZQSSQOFP-HIFRSBDPSA-N 2 1 361.446 0.273 20 0 FCADMP CC(C)CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160858161 1223177860 /nfs/dbraw/zinc/17/78/60/1223177860.db2.gz YPINKZJNCOKRCH-GVDBMIGSSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160858161 1223177861 /nfs/dbraw/zinc/17/78/61/1223177861.db2.gz YPINKZJNCOKRCH-GVDBMIGSSA-N 2 1 370.538 0.742 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)COc2ccccc2)O1 ZINC001160857581 1223177991 /nfs/dbraw/zinc/17/79/91/1223177991.db2.gz LSCDQNURGSFCHM-SOLBZPMBSA-N 2 1 365.474 0.241 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)COc2ccccc2)O1 ZINC001160857581 1223177997 /nfs/dbraw/zinc/17/79/97/1223177997.db2.gz LSCDQNURGSFCHM-SOLBZPMBSA-N 2 1 365.474 0.241 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2ccccc2F)O1 ZINC001160857915 1223178311 /nfs/dbraw/zinc/17/83/11/1223178311.db2.gz RMTGBKMGEUTZLM-CZUORRHYSA-N 2 1 366.437 0.579 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2ccccc2F)O1 ZINC001160857915 1223178313 /nfs/dbraw/zinc/17/83/13/1223178313.db2.gz RMTGBKMGEUTZLM-CZUORRHYSA-N 2 1 366.437 0.579 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)O1 ZINC001160857347 1223178425 /nfs/dbraw/zinc/17/84/25/1223178425.db2.gz FWYUIYBHHOYGFX-OAUYIBNBSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)O1 ZINC001160857347 1223178427 /nfs/dbraw/zinc/17/84/27/1223178427.db2.gz FWYUIYBHHOYGFX-OAUYIBNBSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160957975 1223181889 /nfs/dbraw/zinc/18/18/89/1223181889.db2.gz WFTYVZWPWBSNNI-FRIZHTMISA-N 2 1 371.489 0.712 20 0 FCADMP CNC(=O)C[NH+]1CCC(Nc2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001161144210 1223187284 /nfs/dbraw/zinc/18/72/84/1223187284.db2.gz JDRALHSFXYQHHQ-UHFFFAOYSA-N 2 1 362.478 0.477 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001161253447 1223193014 /nfs/dbraw/zinc/19/30/14/1223193014.db2.gz SSOYWULDNDBWND-ZACQAIPSSA-N 2 1 371.485 0.941 20 0 FCADMP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378301 1223197286 /nfs/dbraw/zinc/19/72/86/1223197286.db2.gz LUCIQPVBGVOBKT-RTBURBONSA-N 3 1 373.545 0.906 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(CN4CC[NH2+]CC4)c3)C2)CC1 ZINC001161381879 1223197906 /nfs/dbraw/zinc/19/79/06/1223197906.db2.gz QOJJCSNNAKUAQO-HXUWFJFHSA-N 3 1 371.529 0.729 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001161445049 1223199621 /nfs/dbraw/zinc/19/96/21/1223199621.db2.gz MOGBBDTWSSFZJA-MJGOQNOKSA-N 4 1 365.566 0.593 20 0 FCADMP CCC(C)(CC)OC(=O)C[C@H](N)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161444900 1223199713 /nfs/dbraw/zinc/19/97/13/1223199713.db2.gz LWLNOXUMGLOJGU-HOTGVXAUSA-N 2 1 370.538 0.968 20 0 FCADMP C[N@@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161501001 1223202471 /nfs/dbraw/zinc/20/24/71/1223202471.db2.gz WNIWHNRDGHMKOH-PLMTUMEDSA-N 2 1 370.497 0.644 20 0 FCADMP O=c1cc(CNc2ncc(F)c(C3CC[NH2+]CC3)n2)nc2n1CCC[NH2+]C2 ZINC001163112088 1223225814 /nfs/dbraw/zinc/22/58/14/1223225814.db2.gz PTNRJUYQFAOURZ-UHFFFAOYSA-N 2 1 373.436 0.745 20 0 FCADMP Cc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc([C@H]2CCC[NH2+]C2)n1 ZINC001163111615 1223226202 /nfs/dbraw/zinc/22/62/02/1223226202.db2.gz HESJBDYXDBCZAB-AWEZNQCLSA-N 2 1 369.473 0.914 20 0 FCADMP C[NH+]1CCN(c2nccc(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)n2)CC1 ZINC001163136036 1223227250 /nfs/dbraw/zinc/22/72/50/1223227250.db2.gz SIRNIDISNZOUKH-UHFFFAOYSA-N 2 1 355.490 0.775 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2)CC1 ZINC001163160303 1223227782 /nfs/dbraw/zinc/22/77/82/1223227782.db2.gz SMKYBNXGXIDWHK-ZACQAIPSSA-N 2 1 359.474 0.506 20 0 FCADMP CCn1c(N)c(Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(=O)n(CC)c1=O ZINC001164470634 1223238671 /nfs/dbraw/zinc/23/86/71/1223238671.db2.gz BXGAOQJCMOTMQY-UHFFFAOYSA-N 2 1 369.429 0.710 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001164583395 1223240329 /nfs/dbraw/zinc/24/03/29/1223240329.db2.gz YIZYVOXTIYNDJB-SOUVJXGZSA-N 2 1 364.490 0.398 20 0 FCADMP C[NH+]1CCN(c2nccc(N3CCC(C)([NH+]4CCOCC4)CC3)n2)CC1 ZINC001165135433 1223242558 /nfs/dbraw/zinc/24/25/58/1223242558.db2.gz GJNIUDSMGAKUPH-UHFFFAOYSA-N 2 1 360.506 0.920 20 0 FCADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC(=O)NC4(CC[NH2+]CC4)C3)c12 ZINC001165252525 1223243682 /nfs/dbraw/zinc/24/36/82/1223243682.db2.gz ICAPZXYXTUKEHY-UHFFFAOYSA-N 2 1 358.402 0.193 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n2)CC1 ZINC001165311498 1223244257 /nfs/dbraw/zinc/24/42/57/1223244257.db2.gz NNLXJRPTPZIVGZ-UHFFFAOYSA-N 3 1 369.477 0.095 20 0 FCADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c12 ZINC001165340787 1223244733 /nfs/dbraw/zinc/24/47/33/1223244733.db2.gz FVXDPYZVGMBEKZ-QGZVFWFLSA-N 2 1 361.402 0.330 20 0 FCADMP [NH3+]C1([C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2CF)CC1 ZINC001165432386 1223246249 /nfs/dbraw/zinc/24/62/49/1223246249.db2.gz JGMGLAJCSJJGHG-OCCSQVGLSA-N 2 1 362.453 0.430 20 0 FCADMP Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001165729082 1223255255 /nfs/dbraw/zinc/25/52/55/1223255255.db2.gz YKTCEPUGTOCKDW-NVXWUHKLSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001165729082 1223255258 /nfs/dbraw/zinc/25/52/58/1223255258.db2.gz YKTCEPUGTOCKDW-NVXWUHKLSA-N 2 1 361.490 0.880 20 0 FCADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001166701465 1223284090 /nfs/dbraw/zinc/28/40/90/1223284090.db2.gz DWMGWFYZTLQLAO-ZDUSSCGKSA-N 2 1 368.445 0.006 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205151323 1223312656 /nfs/dbraw/zinc/31/26/56/1223312656.db2.gz RANRIFDMXCBLBV-QZTJIDSGSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205151323 1223312660 /nfs/dbraw/zinc/31/26/60/1223312660.db2.gz RANRIFDMXCBLBV-QZTJIDSGSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205151323 1223312662 /nfs/dbraw/zinc/31/26/62/1223312662.db2.gz RANRIFDMXCBLBV-QZTJIDSGSA-N 2 1 363.502 0.783 20 0 FCADMP C[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001205151762 1223313452 /nfs/dbraw/zinc/31/34/52/1223313452.db2.gz XHEPEHXSRDDICH-RTBURBONSA-N 2 1 361.486 0.537 20 0 FCADMP C[NH+](CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCC1 ZINC001205151762 1223313453 /nfs/dbraw/zinc/31/34/53/1223313453.db2.gz XHEPEHXSRDDICH-RTBURBONSA-N 2 1 361.486 0.537 20 0 FCADMP C[NH+](CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCC1 ZINC001205151762 1223313455 /nfs/dbraw/zinc/31/34/55/1223313455.db2.gz XHEPEHXSRDDICH-RTBURBONSA-N 2 1 361.486 0.537 20 0 FCADMP O=C(C[NH+]1CCCC1)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205216643 1223317555 /nfs/dbraw/zinc/31/75/55/1223317555.db2.gz IKXZSVHCZVMLEA-RTBURBONSA-N 2 1 361.486 0.539 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000977930633 1248682545 /nfs/dbraw/zinc/68/25/45/1248682545.db2.gz WGQIOKMAZKJYFT-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000977930633 1248682554 /nfs/dbraw/zinc/68/25/54/1248682554.db2.gz WGQIOKMAZKJYFT-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4cc[nH]c4n3)C2)OCC1=O ZINC001276511572 1223424662 /nfs/dbraw/zinc/42/46/62/1223424662.db2.gz SZUSWALHFNKNJJ-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001207231610 1223427183 /nfs/dbraw/zinc/42/71/83/1223427183.db2.gz MOSRGWQEIIJIDS-QLFBSQMISA-N 2 1 370.469 0.252 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)CC1 ZINC001207395555 1223441776 /nfs/dbraw/zinc/44/17/76/1223441776.db2.gz UUBVBFPMEULHGN-BRWVUGGUSA-N 2 1 359.474 0.951 20 0 FCADMP c1cncc(CN2CCOC[C@@]3(C[N@@H+](CC4CC[NH2+]CC4)CCO3)C2)c1 ZINC001207437034 1223446663 /nfs/dbraw/zinc/44/66/63/1223446663.db2.gz OKTRMMDJJHHJIH-FQEVSTJZSA-N 2 1 360.502 0.984 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[N@H+](CC1CC[NH2+]CC1)CCC2)C1CC1 ZINC001207437193 1223446886 /nfs/dbraw/zinc/44/68/86/1223446886.db2.gz QFBURMYHMXLOHT-UHFFFAOYSA-N 2 1 359.474 0.475 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001207537489 1223452666 /nfs/dbraw/zinc/45/26/66/1223452666.db2.gz BUOWRMIUAQEMEB-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001207537489 1223452668 /nfs/dbraw/zinc/45/26/68/1223452668.db2.gz BUOWRMIUAQEMEB-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001207537490 1223452696 /nfs/dbraw/zinc/45/26/96/1223452696.db2.gz BUOWRMIUAQEMEB-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001207537490 1223452697 /nfs/dbraw/zinc/45/26/97/1223452697.db2.gz BUOWRMIUAQEMEB-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541017 1223453106 /nfs/dbraw/zinc/45/31/06/1223453106.db2.gz PTGJFJAUYAVFSA-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541017 1223453107 /nfs/dbraw/zinc/45/31/07/1223453107.db2.gz PTGJFJAUYAVFSA-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541017 1223453110 /nfs/dbraw/zinc/45/31/10/1223453110.db2.gz PTGJFJAUYAVFSA-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541017 1223453111 /nfs/dbraw/zinc/45/31/11/1223453111.db2.gz PTGJFJAUYAVFSA-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563305 1223456449 /nfs/dbraw/zinc/45/64/49/1223456449.db2.gz OIRQNHQPHHXFOY-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563305 1223456454 /nfs/dbraw/zinc/45/64/54/1223456454.db2.gz OIRQNHQPHHXFOY-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563305 1223456458 /nfs/dbraw/zinc/45/64/58/1223456458.db2.gz OIRQNHQPHHXFOY-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563305 1223456462 /nfs/dbraw/zinc/45/64/62/1223456462.db2.gz OIRQNHQPHHXFOY-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617683 1223462211 /nfs/dbraw/zinc/46/22/11/1223462211.db2.gz WENOLUVNWGTUHA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617683 1223462214 /nfs/dbraw/zinc/46/22/14/1223462214.db2.gz WENOLUVNWGTUHA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617683 1223462217 /nfs/dbraw/zinc/46/22/17/1223462217.db2.gz WENOLUVNWGTUHA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617683 1223462220 /nfs/dbraw/zinc/46/22/20/1223462220.db2.gz WENOLUVNWGTUHA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705636 1223472663 /nfs/dbraw/zinc/47/26/63/1223472663.db2.gz GASUQCMPVNLDLM-IAGOWNOFSA-N 2 1 371.522 0.444 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C[C@H]2COC(C)(C)O2)CC3)CC1 ZINC001207928397 1223497374 /nfs/dbraw/zinc/49/73/74/1223497374.db2.gz PRUWAZFNQCBCGF-HNNXBMFYSA-N 2 1 361.490 0.781 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](C[C@H]2COC(C)(C)O2)CC3)CC1 ZINC001207928397 1223497376 /nfs/dbraw/zinc/49/73/76/1223497376.db2.gz PRUWAZFNQCBCGF-HNNXBMFYSA-N 2 1 361.490 0.781 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H]3COC(C)(C)O3)CC2)C1 ZINC001207926952 1223497924 /nfs/dbraw/zinc/49/79/24/1223497924.db2.gz KNLKRCHUBDPCEF-INIZCTEOSA-N 2 1 369.506 0.641 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@H]3COC(C)(C)O3)CC2)C1 ZINC001207926952 1223497926 /nfs/dbraw/zinc/49/79/26/1223497926.db2.gz KNLKRCHUBDPCEF-INIZCTEOSA-N 2 1 369.506 0.641 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001208410488 1223541442 /nfs/dbraw/zinc/54/14/42/1223541442.db2.gz AJXJGWZWZHINEC-HYVNUMGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001208410488 1223541448 /nfs/dbraw/zinc/54/14/48/1223541448.db2.gz AJXJGWZWZHINEC-HYVNUMGLSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C)[NH+](C)C ZINC001208699885 1223570787 /nfs/dbraw/zinc/57/07/87/1223570787.db2.gz YFRUUVNOLZPQHD-YUELXQCFSA-N 2 1 360.462 0.299 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C)[NH+](C)C ZINC001208699885 1223570793 /nfs/dbraw/zinc/57/07/93/1223570793.db2.gz YFRUUVNOLZPQHD-YUELXQCFSA-N 2 1 360.462 0.299 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001208708001 1223571933 /nfs/dbraw/zinc/57/19/33/1223571933.db2.gz PKWILKTYPVMEMC-KLHDSHLOSA-N 2 1 361.490 0.827 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001208708001 1223571938 /nfs/dbraw/zinc/57/19/38/1223571938.db2.gz PKWILKTYPVMEMC-KLHDSHLOSA-N 2 1 361.490 0.827 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2)C1 ZINC001276609985 1223594309 /nfs/dbraw/zinc/59/43/09/1223594309.db2.gz OHZYCDRLJQFBGS-APWZRJJASA-N 2 1 369.506 0.641 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2)C1 ZINC001276609985 1223594311 /nfs/dbraw/zinc/59/43/11/1223594311.db2.gz OHZYCDRLJQFBGS-APWZRJJASA-N 2 1 369.506 0.641 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209333614 1223611557 /nfs/dbraw/zinc/61/15/57/1223611557.db2.gz JPBPGRGLNUWIHD-ZOCIIQOWSA-N 2 1 360.502 0.816 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001209488825 1223624493 /nfs/dbraw/zinc/62/44/93/1223624493.db2.gz RTXBWJSOZNQLOZ-GDBMZVCRSA-N 2 1 362.478 0.433 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001209488825 1223624494 /nfs/dbraw/zinc/62/44/94/1223624494.db2.gz RTXBWJSOZNQLOZ-GDBMZVCRSA-N 2 1 362.478 0.433 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC001209730881 1223644640 /nfs/dbraw/zinc/64/46/40/1223644640.db2.gz QBCGESYMLFKXRR-DHSIGJKJSA-N 2 1 368.441 0.551 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC001209730881 1223644645 /nfs/dbraw/zinc/64/46/45/1223644645.db2.gz QBCGESYMLFKXRR-DHSIGJKJSA-N 2 1 368.441 0.551 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829319 1223651851 /nfs/dbraw/zinc/65/18/51/1223651851.db2.gz CGQZPLNBLNKNDX-OIISXLGYSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830236 1223651986 /nfs/dbraw/zinc/65/19/86/1223651986.db2.gz VFBILZXROWUWNI-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830236 1223651988 /nfs/dbraw/zinc/65/19/88/1223651988.db2.gz VFBILZXROWUWNI-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837423 1223652956 /nfs/dbraw/zinc/65/29/56/1223652956.db2.gz XVVPQPWJOWQMFZ-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315248 1223682421 /nfs/dbraw/zinc/68/24/21/1223682421.db2.gz NMOLWNBZEISHGU-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315248 1223682422 /nfs/dbraw/zinc/68/24/22/1223682422.db2.gz NMOLWNBZEISHGU-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329888 1223683114 /nfs/dbraw/zinc/68/31/14/1223683114.db2.gz JPSLSVGZCHFJJQ-HUUCEWRRSA-N 2 1 365.522 0.616 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684804 1223693550 /nfs/dbraw/zinc/69/35/50/1223693550.db2.gz FCPNSPQHIFUZEJ-JXFKEZNVSA-N 2 1 359.470 0.954 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210497160 1223694650 /nfs/dbraw/zinc/69/46/50/1223694650.db2.gz AMYZRNGISZJCOG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210497160 1223694652 /nfs/dbraw/zinc/69/46/52/1223694652.db2.gz AMYZRNGISZJCOG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210497160 1223694657 /nfs/dbraw/zinc/69/46/57/1223694657.db2.gz AMYZRNGISZJCOG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210497160 1223694660 /nfs/dbraw/zinc/69/46/60/1223694660.db2.gz AMYZRNGISZJCOG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528711 1223695565 /nfs/dbraw/zinc/69/55/65/1223695565.db2.gz CWUBXXHOMWAQSV-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528711 1223695566 /nfs/dbraw/zinc/69/55/66/1223695566.db2.gz CWUBXXHOMWAQSV-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210528711 1223695568 /nfs/dbraw/zinc/69/55/68/1223695568.db2.gz CWUBXXHOMWAQSV-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538764 1223696600 /nfs/dbraw/zinc/69/66/00/1223696600.db2.gz MMEJMJVVEHVYBQ-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538764 1223696601 /nfs/dbraw/zinc/69/66/01/1223696601.db2.gz MMEJMJVVEHVYBQ-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538764 1223696603 /nfs/dbraw/zinc/69/66/03/1223696603.db2.gz MMEJMJVVEHVYBQ-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538764 1223696604 /nfs/dbraw/zinc/69/66/04/1223696604.db2.gz MMEJMJVVEHVYBQ-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054167 1223722457 /nfs/dbraw/zinc/72/24/57/1223722457.db2.gz IPYYYQFDHTUSBX-RVKKMQEKSA-N 2 1 363.506 0.633 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300323 1223733420 /nfs/dbraw/zinc/73/34/20/1223733420.db2.gz KENTXOZLBYAVLL-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300323 1223733422 /nfs/dbraw/zinc/73/34/22/1223733422.db2.gz KENTXOZLBYAVLL-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367375 1223737891 /nfs/dbraw/zinc/73/78/91/1223737891.db2.gz ROOAKJKNRLPQCR-VNHYZAJKSA-N 2 1 367.494 0.140 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367375 1223737895 /nfs/dbraw/zinc/73/78/95/1223737895.db2.gz ROOAKJKNRLPQCR-VNHYZAJKSA-N 2 1 367.494 0.140 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367375 1223737896 /nfs/dbraw/zinc/73/78/96/1223737896.db2.gz ROOAKJKNRLPQCR-VNHYZAJKSA-N 2 1 367.494 0.140 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001211367375 1223737899 /nfs/dbraw/zinc/73/78/99/1223737899.db2.gz ROOAKJKNRLPQCR-VNHYZAJKSA-N 2 1 367.494 0.140 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213400046 1223794550 /nfs/dbraw/zinc/79/45/50/1223794550.db2.gz XITVUGCRRSHXET-KZNAEPCWSA-N 2 1 365.522 0.902 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213400046 1223794553 /nfs/dbraw/zinc/79/45/53/1223794553.db2.gz XITVUGCRRSHXET-KZNAEPCWSA-N 2 1 365.522 0.902 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449403 1223800864 /nfs/dbraw/zinc/80/08/64/1223800864.db2.gz NHTPBLOWQGLDSC-OWCLPIDISA-N 2 1 370.538 0.824 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449403 1223800865 /nfs/dbraw/zinc/80/08/65/1223800865.db2.gz NHTPBLOWQGLDSC-OWCLPIDISA-N 2 1 370.538 0.824 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449403 1223800866 /nfs/dbraw/zinc/80/08/66/1223800866.db2.gz NHTPBLOWQGLDSC-OWCLPIDISA-N 2 1 370.538 0.824 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449403 1223800867 /nfs/dbraw/zinc/80/08/67/1223800867.db2.gz NHTPBLOWQGLDSC-OWCLPIDISA-N 2 1 370.538 0.824 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1OC)[NH+](C)C ZINC001213458479 1223801969 /nfs/dbraw/zinc/80/19/69/1223801969.db2.gz YESZCNOQMZSJEF-IXDOHACOSA-N 2 1 361.446 0.878 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1OC)[NH+](C)C ZINC001213458479 1223801972 /nfs/dbraw/zinc/80/19/72/1223801972.db2.gz YESZCNOQMZSJEF-IXDOHACOSA-N 2 1 361.446 0.878 20 0 FCADMP CCN(C)C(=O)CN1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576194 1223816562 /nfs/dbraw/zinc/81/65/62/1223816562.db2.gz JKBPAXBKOXKWIK-HZPDHXFCSA-N 2 1 365.478 0.265 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638623 1223826363 /nfs/dbraw/zinc/82/63/63/1223826363.db2.gz XHOOBYKAVYHLQM-QZTJIDSGSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCCC1 ZINC001213730173 1223840010 /nfs/dbraw/zinc/84/00/10/1223840010.db2.gz HBYSVODCLSQNBR-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728836 1223840219 /nfs/dbraw/zinc/84/02/19/1223840219.db2.gz VJYLFSZTIORURH-BRWVUGGUSA-N 2 1 367.490 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728836 1223840221 /nfs/dbraw/zinc/84/02/21/1223840221.db2.gz VJYLFSZTIORURH-BRWVUGGUSA-N 2 1 367.490 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728744 1223840227 /nfs/dbraw/zinc/84/02/27/1223840227.db2.gz RDJIIFZNYXUUFA-GVDBMIGSSA-N 2 1 367.490 0.093 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1OC ZINC001213768893 1223846789 /nfs/dbraw/zinc/84/67/89/1223846789.db2.gz FFSUMFNBBZUQEM-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1OC ZINC001213768893 1223846790 /nfs/dbraw/zinc/84/67/90/1223846790.db2.gz FFSUMFNBBZUQEM-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC ZINC001213768893 1223846792 /nfs/dbraw/zinc/84/67/92/1223846792.db2.gz FFSUMFNBBZUQEM-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213802017 1223852422 /nfs/dbraw/zinc/85/24/22/1223852422.db2.gz KOPCPCQWNCMCKZ-QZTJIDSGSA-N 2 1 364.490 0.985 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868510 1223864971 /nfs/dbraw/zinc/86/49/71/1223864971.db2.gz YSYFBZGHJKZVNY-QZTJIDSGSA-N 2 1 371.522 0.731 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892445 1223868208 /nfs/dbraw/zinc/86/82/08/1223868208.db2.gz GECSAHRCPRDTJI-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892445 1223868210 /nfs/dbraw/zinc/86/82/10/1223868210.db2.gz GECSAHRCPRDTJI-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922202 1223873221 /nfs/dbraw/zinc/87/32/21/1223873221.db2.gz VHKVMDJLVAECEO-QZTJIDSGSA-N 2 1 363.506 0.654 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931950 1223875877 /nfs/dbraw/zinc/87/58/77/1223875877.db2.gz SPUBSEPCPJLMNI-KURKYZTESA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931950 1223875879 /nfs/dbraw/zinc/87/58/79/1223875879.db2.gz SPUBSEPCPJLMNI-KURKYZTESA-N 2 1 371.522 0.585 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001213975323 1223880084 /nfs/dbraw/zinc/88/00/84/1223880084.db2.gz BRWFLWLGMJLVEY-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001213975323 1223880087 /nfs/dbraw/zinc/88/00/87/1223880087.db2.gz BRWFLWLGMJLVEY-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001213975323 1223880089 /nfs/dbraw/zinc/88/00/89/1223880089.db2.gz BRWFLWLGMJLVEY-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001213975323 1223880090 /nfs/dbraw/zinc/88/00/90/1223880090.db2.gz BRWFLWLGMJLVEY-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccccc1F ZINC001214388729 1223906572 /nfs/dbraw/zinc/90/65/72/1223906572.db2.gz ITKOERCLRWLIDW-KYJSFNMBSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccccc1F ZINC001214388729 1223906573 /nfs/dbraw/zinc/90/65/73/1223906573.db2.gz ITKOERCLRWLIDW-KYJSFNMBSA-N 2 1 365.449 0.972 20 0 FCADMP CC(C)N(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C)C(C)C ZINC001214389406 1223907200 /nfs/dbraw/zinc/90/72/00/1223907200.db2.gz XMIAZHFCOUJIFT-BRWVUGGUSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)N(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C)C(C)C ZINC001214389406 1223907201 /nfs/dbraw/zinc/90/72/01/1223907201.db2.gz XMIAZHFCOUJIFT-BRWVUGGUSA-N 2 1 368.522 0.399 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001214757643 1223939355 /nfs/dbraw/zinc/93/93/55/1223939355.db2.gz SBOPZXPFYBEANB-BPLDGKMQSA-N 2 1 367.473 0.624 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214780403 1223941705 /nfs/dbraw/zinc/94/17/05/1223941705.db2.gz YNSBFKGSBGGKQW-KFWWJZLASA-N 2 1 363.462 0.924 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCOCC1CC1 ZINC001214850337 1223947791 /nfs/dbraw/zinc/94/77/91/1223947791.db2.gz SPQJUDJMPCWRQT-NXHRZFHOSA-N 2 1 363.506 0.676 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214849971 1223948155 /nfs/dbraw/zinc/94/81/55/1223948155.db2.gz MCILYBSJIQPFKP-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214855910 1223948501 /nfs/dbraw/zinc/94/85/01/1223948501.db2.gz RGTASDDHBRSKLP-FVQBIDKESA-N 2 1 359.474 0.723 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001214998532 1223962245 /nfs/dbraw/zinc/96/22/45/1223962245.db2.gz YDJQSKIKEZCXQC-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001215156050 1223978972 /nfs/dbraw/zinc/97/89/72/1223978972.db2.gz VVPFOVREWFADGZ-TZMCWYRMSA-N 2 1 357.418 0.057 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc4cc[nH]c4cn3)C2)OCC1=O ZINC001276720931 1223992073 /nfs/dbraw/zinc/99/20/73/1223992073.db2.gz XMZIGLHNNIJJRN-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C1)CC2 ZINC001215413583 1223998252 /nfs/dbraw/zinc/99/82/52/1223998252.db2.gz IORHQDRYRRSZGU-SUYBPPKGSA-N 2 1 359.474 0.469 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001215459093 1224000633 /nfs/dbraw/zinc/00/06/33/1224000633.db2.gz XESVITXOHQSPPB-NVXWUHKLSA-N 2 1 371.489 0.610 20 0 FCADMP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938802 1224025989 /nfs/dbraw/zinc/02/59/89/1224025989.db2.gz NKJIPQHFFBNRSW-FGTMMUONSA-N 2 1 371.522 0.179 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)no1 ZINC001216383311 1224047586 /nfs/dbraw/zinc/04/75/86/1224047586.db2.gz KASZHCAGFZXINS-BPLDGKMQSA-N 2 1 363.462 0.700 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216515465 1224054350 /nfs/dbraw/zinc/05/43/50/1224054350.db2.gz QRMFEBKBQUVGHQ-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752464 1224068279 /nfs/dbraw/zinc/06/82/79/1224068279.db2.gz PPLFEOIFHBXFOH-BYCMXARLSA-N 2 1 362.478 0.353 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216756086 1224069010 /nfs/dbraw/zinc/06/90/10/1224069010.db2.gz RCUVBYMDEWVBPO-VNHYZAJKSA-N 2 1 371.445 0.445 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000993871055 1250036682 /nfs/dbraw/zinc/03/66/82/1250036682.db2.gz DJWJWJMTESDQHM-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000823755399 1245320757 /nfs/dbraw/zinc/32/07/57/1245320757.db2.gz NUQLDABKAUZCAF-BGYRXZFFSA-N 2 1 372.517 0.789 20 0 FCADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000823755399 1245320760 /nfs/dbraw/zinc/32/07/60/1245320760.db2.gz NUQLDABKAUZCAF-BGYRXZFFSA-N 2 1 372.517 0.789 20 0 FCADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000823755399 1245320763 /nfs/dbraw/zinc/32/07/63/1245320763.db2.gz NUQLDABKAUZCAF-BGYRXZFFSA-N 2 1 372.517 0.789 20 0 FCADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000823755399 1245320767 /nfs/dbraw/zinc/32/07/67/1245320767.db2.gz NUQLDABKAUZCAF-BGYRXZFFSA-N 2 1 372.517 0.789 20 0 FCADMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@]2(C)C1 ZINC000823755406 1245320927 /nfs/dbraw/zinc/32/09/27/1245320927.db2.gz NUQLDABKAUZCAF-WOJBJXKFSA-N 2 1 372.517 0.789 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)C2=O ZINC000843378143 1245328152 /nfs/dbraw/zinc/32/81/52/1245328152.db2.gz UGTIPJUKYGKVCA-TXKKKEFDSA-N 2 1 365.478 0.579 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C2=O ZINC000843378143 1245328153 /nfs/dbraw/zinc/32/81/53/1245328153.db2.gz UGTIPJUKYGKVCA-TXKKKEFDSA-N 2 1 365.478 0.579 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000848931893 1245387196 /nfs/dbraw/zinc/38/71/96/1245387196.db2.gz IHHRIHQPPWYCAX-VQHPVUNQSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848931893 1245387202 /nfs/dbraw/zinc/38/72/02/1245387202.db2.gz IHHRIHQPPWYCAX-VQHPVUNQSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848931893 1245387208 /nfs/dbraw/zinc/38/72/08/1245387208.db2.gz IHHRIHQPPWYCAX-VQHPVUNQSA-N 2 1 364.490 0.099 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000848932784 1245388007 /nfs/dbraw/zinc/38/80/07/1245388007.db2.gz VBXYZJAABLJVBN-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1cccc(C)c1OC[C@H](O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849066465 1245391905 /nfs/dbraw/zinc/39/19/05/1245391905.db2.gz CNPUFWMRMFVBHA-QGZVFWFLSA-N 2 1 364.490 0.879 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(N2CCOCC2)c1 ZINC000849114224 1245392683 /nfs/dbraw/zinc/39/26/83/1245392683.db2.gz YLHZCJRQWUPZJJ-UHFFFAOYSA-N 2 1 361.490 0.859 20 0 FCADMP C[N@@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000891519116 1245451750 /nfs/dbraw/zinc/45/17/50/1245451750.db2.gz WLEOTTPKXOGDQR-OAGGEKHMSA-N 2 1 365.478 0.437 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000911481058 1245498566 /nfs/dbraw/zinc/49/85/66/1245498566.db2.gz RHKPHZADITURPR-INIZCTEOSA-N 2 1 359.474 0.909 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919642236 1245609937 /nfs/dbraw/zinc/60/99/37/1245609937.db2.gz JSHFJGCFYRCCNT-BMGDNIKJSA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919642236 1245609944 /nfs/dbraw/zinc/60/99/44/1245609944.db2.gz JSHFJGCFYRCCNT-BMGDNIKJSA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919642236 1245609951 /nfs/dbraw/zinc/60/99/51/1245609951.db2.gz JSHFJGCFYRCCNT-BMGDNIKJSA-N 2 1 368.522 0.486 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000922912435 1245691982 /nfs/dbraw/zinc/69/19/82/1245691982.db2.gz XWVHVRKZLMBPRZ-SFHVURJKSA-N 2 1 373.501 0.887 20 0 FCADMP O=C([C@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280657 1245703565 /nfs/dbraw/zinc/70/35/65/1245703565.db2.gz CDIJOBRVXAKBRO-RDJZCZTQSA-N 2 1 365.449 0.709 20 0 FCADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000923281091 1245705650 /nfs/dbraw/zinc/70/56/50/1245705650.db2.gz DNCOVDAVPQKYMT-MSOLQXFVSA-N 2 1 361.486 0.879 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324675 1245709063 /nfs/dbraw/zinc/70/90/63/1245709063.db2.gz YTCVJWUJUQELTO-SFHVURJKSA-N 3 1 364.534 0.631 20 0 FCADMP CN(C(=O)CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000923323530 1245709725 /nfs/dbraw/zinc/70/97/25/1245709725.db2.gz IJKKZZRHGKWVBT-SFHVURJKSA-N 2 1 364.534 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000937439144 1245788457 /nfs/dbraw/zinc/78/84/57/1245788457.db2.gz LMESNRZCEMWSRI-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000938547195 1245874601 /nfs/dbraw/zinc/87/46/01/1245874601.db2.gz FMQWJOQJSJUYQK-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000938547195 1245874604 /nfs/dbraw/zinc/87/46/04/1245874604.db2.gz FMQWJOQJSJUYQK-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000938608895 1245887057 /nfs/dbraw/zinc/88/70/57/1245887057.db2.gz DZRCQIOQIZAODJ-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000938608895 1245887067 /nfs/dbraw/zinc/88/70/67/1245887067.db2.gz DZRCQIOQIZAODJ-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000938608903 1245887086 /nfs/dbraw/zinc/88/70/86/1245887086.db2.gz FCEQUYAJXHBFHU-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000939490212 1246074594 /nfs/dbraw/zinc/07/45/94/1246074594.db2.gz FCHZVGSVLXEEJB-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000939593426 1246099354 /nfs/dbraw/zinc/09/93/54/1246099354.db2.gz PDTNPVWBVCZSBI-VNQPRFMTSA-N 2 1 362.474 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CCO2)CC[N@H+]1C ZINC000944619560 1247585155 /nfs/dbraw/zinc/58/51/55/1247585155.db2.gz ZCHRDNRTYKIYFB-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CCO2)CC[NH+]1C ZINC000944619560 1247585160 /nfs/dbraw/zinc/58/51/60/1247585160.db2.gz ZCHRDNRTYKIYFB-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CCO2)CC[NH+]1C ZINC000944619560 1247585167 /nfs/dbraw/zinc/58/51/67/1247585167.db2.gz ZCHRDNRTYKIYFB-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@H+]1C ZINC000946907831 1248069866 /nfs/dbraw/zinc/06/98/66/1248069866.db2.gz PEVXULFMRULULZ-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)[C@@H]2C1)C1CC1 ZINC000972739072 1248127225 /nfs/dbraw/zinc/12/72/25/1248127225.db2.gz NEOQNRDVCDNKHN-QGPMSJSTSA-N 2 1 359.474 0.742 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327932140 1265457341 /nfs/dbraw/zinc/45/73/41/1265457341.db2.gz IDFNQEUDZFGPQI-OAHLLOKOSA-N 2 1 372.477 0.725 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH+]ccc4N(C)C)C[C@H]32)CC[N@H+]1C ZINC000976595519 1248269245 /nfs/dbraw/zinc/26/92/45/1248269245.db2.gz MBOHVABTFVUFFA-PDFKHUOFSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC(C)CC4)C[C@H]32)CC[N@H+]1C ZINC000976600250 1248277682 /nfs/dbraw/zinc/27/76/82/1248277682.db2.gz BSYLRSSRKJTERE-RXYDEIHYSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCc5[nH+]ccn54)C[C@H]32)CC[N@@H+]1C ZINC000976601613 1248278505 /nfs/dbraw/zinc/27/85/05/1248278505.db2.gz MWYZWUKZEJBSFY-DBDULZNHSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCc5[nH+]ccn54)C[C@H]32)CC[N@H+]1C ZINC000976601613 1248278514 /nfs/dbraw/zinc/27/85/14/1248278514.db2.gz MWYZWUKZEJBSFY-DBDULZNHSA-N 2 1 371.485 0.674 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC000976606019 1248287848 /nfs/dbraw/zinc/28/78/48/1248287848.db2.gz AKDPSSGCCZNCMZ-PVWHLQNVSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976606019 1248287856 /nfs/dbraw/zinc/28/78/56/1248287856.db2.gz AKDPSSGCCZNCMZ-PVWHLQNVSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976606019 1248287864 /nfs/dbraw/zinc/28/78/64/1248287864.db2.gz AKDPSSGCCZNCMZ-PVWHLQNVSA-N 2 1 362.518 0.774 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976656624 1248327520 /nfs/dbraw/zinc/32/75/20/1248327520.db2.gz CNEIPWQYIPWXDA-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656624 1248327526 /nfs/dbraw/zinc/32/75/26/1248327526.db2.gz CNEIPWQYIPWXDA-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656624 1248327533 /nfs/dbraw/zinc/32/75/33/1248327533.db2.gz CNEIPWQYIPWXDA-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncc2C)CC[N@H+]1C ZINC000976851775 1248431672 /nfs/dbraw/zinc/43/16/72/1248431672.db2.gz JVIRDLBPBCOFNN-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C ZINC000976851775 1248431681 /nfs/dbraw/zinc/43/16/81/1248431681.db2.gz JVIRDLBPBCOFNN-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C ZINC000976851775 1248431687 /nfs/dbraw/zinc/43/16/87/1248431687.db2.gz JVIRDLBPBCOFNN-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)nnn1C1CC[NH2+]CC1 ZINC001328525333 1265569633 /nfs/dbraw/zinc/56/96/33/1265569633.db2.gz PZCHRUONBLMDGZ-CQSZACIVSA-N 2 1 358.450 0.031 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ncnn3CC(F)F)CC2)CC[N@H+]1C ZINC000996605189 1251402323 /nfs/dbraw/zinc/40/23/23/1251402323.db2.gz BQNHCVJVJDEWDP-TZMCWYRMSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC000997785644 1251706439 /nfs/dbraw/zinc/70/64/39/1251706439.db2.gz KJXZVXQKFZRUNF-CZUORRHYSA-N 2 1 361.494 0.676 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000997792702 1251709604 /nfs/dbraw/zinc/70/96/04/1251709604.db2.gz KFMPDRRUGRNWQS-LSDHHAIUSA-N 2 1 364.494 0.167 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000998465416 1251887454 /nfs/dbraw/zinc/88/74/54/1251887454.db2.gz DLWMKDCKAIYSMQ-BDXSIMOUSA-N 2 1 371.485 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC000998471751 1251892237 /nfs/dbraw/zinc/89/22/37/1251892237.db2.gz IREPWSNKQRXQJQ-IKGGRYGDSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC000998471751 1251892243 /nfs/dbraw/zinc/89/22/43/1251892243.db2.gz IREPWSNKQRXQJQ-IKGGRYGDSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)CC2 ZINC000998585763 1251916632 /nfs/dbraw/zinc/91/66/32/1251916632.db2.gz FPVIARCDUIIZAV-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)CC2 ZINC000998585763 1251916634 /nfs/dbraw/zinc/91/66/34/1251916634.db2.gz FPVIARCDUIIZAV-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC000998633841 1251935235 /nfs/dbraw/zinc/93/52/35/1251935235.db2.gz XUWDXACJVDQXFA-RANZSIQMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CC[N@H+]1C ZINC000998659751 1251944166 /nfs/dbraw/zinc/94/41/66/1251944166.db2.gz RQCLOIPQZAAQNQ-MTSZKFMLSA-N 2 1 360.502 0.671 20 0 FCADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000998988188 1252015692 /nfs/dbraw/zinc/01/56/92/1252015692.db2.gz SSEXJNWISFSJBI-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000998988188 1252015703 /nfs/dbraw/zinc/01/57/03/1252015703.db2.gz SSEXJNWISFSJBI-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993690 1252264487 /nfs/dbraw/zinc/26/44/87/1252264487.db2.gz UIVIGFBJCRPTLP-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993690 1252264497 /nfs/dbraw/zinc/26/44/97/1252264497.db2.gz UIVIGFBJCRPTLP-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993690 1252264504 /nfs/dbraw/zinc/26/45/04/1252264504.db2.gz UIVIGFBJCRPTLP-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993690 1252264516 /nfs/dbraw/zinc/26/45/16/1252264516.db2.gz UIVIGFBJCRPTLP-HYVNUMGLSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@H+]1C ZINC001002261552 1252494024 /nfs/dbraw/zinc/49/40/24/1252494024.db2.gz YVRDCVWXBSMLHX-QKLQHJQFSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC[NH+]1C ZINC001002261552 1252494035 /nfs/dbraw/zinc/49/40/35/1252494035.db2.gz YVRDCVWXBSMLHX-QKLQHJQFSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC[NH+]1C ZINC001002261552 1252494046 /nfs/dbraw/zinc/49/40/46/1252494046.db2.gz YVRDCVWXBSMLHX-QKLQHJQFSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001002841058 1252700633 /nfs/dbraw/zinc/70/06/33/1252700633.db2.gz ROVCMCVPWNVWAW-NCOADZHNSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001002841058 1252700635 /nfs/dbraw/zinc/70/06/35/1252700635.db2.gz ROVCMCVPWNVWAW-NCOADZHNSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC001002882333 1252727902 /nfs/dbraw/zinc/72/79/02/1252727902.db2.gz BORFYRZEPBZFHJ-RHSMWYFYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC001002882333 1252727906 /nfs/dbraw/zinc/72/79/06/1252727906.db2.gz BORFYRZEPBZFHJ-RHSMWYFYSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760455 1265678441 /nfs/dbraw/zinc/67/84/41/1265678441.db2.gz INEGNRJKBUGBJF-SJORKVTESA-N 2 1 355.527 0.278 20 0 FCADMP Cc1c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)nnn1C1CC[NH2+]CC1 ZINC001329282331 1265726337 /nfs/dbraw/zinc/72/63/37/1265726337.db2.gz RVOJHXNGZYSNLW-CQSZACIVSA-N 2 1 363.510 0.124 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642426 1265742754 /nfs/dbraw/zinc/74/27/54/1265742754.db2.gz UBJZGEAAPRIBAV-INIZCTEOSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642426 1265742760 /nfs/dbraw/zinc/74/27/60/1265742760.db2.gz UBJZGEAAPRIBAV-INIZCTEOSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001519642426 1265742763 /nfs/dbraw/zinc/74/27/63/1265742763.db2.gz UBJZGEAAPRIBAV-INIZCTEOSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001519642426 1265742766 /nfs/dbraw/zinc/74/27/66/1265742766.db2.gz UBJZGEAAPRIBAV-INIZCTEOSA-N 2 1 354.495 0.712 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001006178401 1253719866 /nfs/dbraw/zinc/71/98/66/1253719866.db2.gz BGAIDLKINNMBCB-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC001026496018 1253846425 /nfs/dbraw/zinc/84/64/25/1253846425.db2.gz FQKGOCZPGXDCHU-XSCHDIRWSA-N 2 1 364.494 0.993 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC001026496018 1253846436 /nfs/dbraw/zinc/84/64/36/1253846436.db2.gz FQKGOCZPGXDCHU-XSCHDIRWSA-N 2 1 364.494 0.993 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917325 1253848238 /nfs/dbraw/zinc/84/82/38/1253848238.db2.gz ZTBQTNOCZGTRBR-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917325 1253848242 /nfs/dbraw/zinc/84/82/42/1253848242.db2.gz ZTBQTNOCZGTRBR-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001026916580 1253848262 /nfs/dbraw/zinc/84/82/62/1253848262.db2.gz KTWPQZCJPNSDGB-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001026916580 1253848264 /nfs/dbraw/zinc/84/82/64/1253848264.db2.gz KTWPQZCJPNSDGB-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP CC(C)[C@H](CNC(=O)CN(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC001329565144 1265783158 /nfs/dbraw/zinc/78/31/58/1265783158.db2.gz VQIMHXKAMMLQEA-IBGZPJMESA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329570539 1265784737 /nfs/dbraw/zinc/78/47/37/1265784737.db2.gz RTMOSYOBGXZDQC-IAGOWNOFSA-N 2 1 374.489 0.718 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180775 1253949236 /nfs/dbraw/zinc/94/92/36/1253949236.db2.gz CGASFDJVAIHRTH-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180775 1253949243 /nfs/dbraw/zinc/94/92/43/1253949243.db2.gz CGASFDJVAIHRTH-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180775 1253949250 /nfs/dbraw/zinc/94/92/50/1253949250.db2.gz CGASFDJVAIHRTH-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001033180775 1253949257 /nfs/dbraw/zinc/94/92/57/1253949257.db2.gz CGASFDJVAIHRTH-HYVNUMGLSA-N 2 1 362.474 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001034940091 1254010703 /nfs/dbraw/zinc/01/07/03/1254010703.db2.gz XBOKKFFYQYCIHJ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001034940091 1254010720 /nfs/dbraw/zinc/01/07/20/1254010720.db2.gz XBOKKFFYQYCIHJ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[N@H+](CCCF)CCO2)CC1 ZINC001035370622 1254026120 /nfs/dbraw/zinc/02/61/20/1254026120.db2.gz NXEOVZJKBUJWJE-KSZLIROESA-N 2 1 371.497 0.910 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[N@@H+](CCCF)CCO2)CC1 ZINC001035370622 1254026132 /nfs/dbraw/zinc/02/61/32/1254026132.db2.gz NXEOVZJKBUJWJE-KSZLIROESA-N 2 1 371.497 0.910 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCN4CCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035708202 1254056879 /nfs/dbraw/zinc/05/68/79/1254056879.db2.gz FVQAHBGYFUPYMI-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035709741 1254059139 /nfs/dbraw/zinc/05/91/39/1254059139.db2.gz CDSITXCKTNYLEP-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035709741 1254059149 /nfs/dbraw/zinc/05/91/49/1254059149.db2.gz CDSITXCKTNYLEP-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC2)CC[N@H+]1C ZINC001063221399 1254314265 /nfs/dbraw/zinc/31/42/65/1254314265.db2.gz ARIOPXSGCJGSSK-OIISXLGYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001064545940 1254430964 /nfs/dbraw/zinc/43/09/64/1254430964.db2.gz YSDFYJNEJXOZAV-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001064545940 1254430975 /nfs/dbraw/zinc/43/09/75/1254430975.db2.gz YSDFYJNEJXOZAV-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001064545940 1254430984 /nfs/dbraw/zinc/43/09/84/1254430984.db2.gz YSDFYJNEJXOZAV-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001064545940 1254430990 /nfs/dbraw/zinc/43/09/90/1254430990.db2.gz YSDFYJNEJXOZAV-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001065212731 1254493620 /nfs/dbraw/zinc/49/36/20/1254493620.db2.gz UOXFVSGZOWNAFU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001065212731 1254493625 /nfs/dbraw/zinc/49/36/25/1254493625.db2.gz UOXFVSGZOWNAFU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001065212731 1254493629 /nfs/dbraw/zinc/49/36/29/1254493629.db2.gz UOXFVSGZOWNAFU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553890 1254677634 /nfs/dbraw/zinc/67/76/34/1254677634.db2.gz SQYSJQMPGHUHCG-CGTJXYLNSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553890 1254677652 /nfs/dbraw/zinc/67/76/52/1254677652.db2.gz SQYSJQMPGHUHCG-CGTJXYLNSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553890 1254677667 /nfs/dbraw/zinc/67/76/67/1254677667.db2.gz SQYSJQMPGHUHCG-CGTJXYLNSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553890 1254677682 /nfs/dbraw/zinc/67/76/82/1254677682.db2.gz SQYSJQMPGHUHCG-CGTJXYLNSA-N 2 1 363.506 0.512 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566856 1254704278 /nfs/dbraw/zinc/70/42/78/1254704278.db2.gz QOCCCTHNZXIGNM-KZNAEPCWSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566856 1254704293 /nfs/dbraw/zinc/70/42/93/1254704293.db2.gz QOCCCTHNZXIGNM-KZNAEPCWSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566856 1254704309 /nfs/dbraw/zinc/70/43/09/1254704309.db2.gz QOCCCTHNZXIGNM-KZNAEPCWSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566856 1254704333 /nfs/dbraw/zinc/70/43/33/1254704333.db2.gz QOCCCTHNZXIGNM-KZNAEPCWSA-N 2 1 365.518 0.837 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001077618984 1254785613 /nfs/dbraw/zinc/78/56/13/1254785613.db2.gz YBJNYOROIREFSE-QZTJIDSGSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001077618984 1254785625 /nfs/dbraw/zinc/78/56/25/1254785625.db2.gz YBJNYOROIREFSE-QZTJIDSGSA-N 2 1 365.449 0.708 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001077618943 1254786876 /nfs/dbraw/zinc/78/68/76/1254786876.db2.gz WHGNDDUQQGPSCV-RTBURBONSA-N 2 1 361.486 0.741 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001077685237 1254878961 /nfs/dbraw/zinc/87/89/61/1254878961.db2.gz GDOXYBAKOWOOHW-KBRIMQKVSA-N 2 1 364.446 0.082 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001077685237 1254878968 /nfs/dbraw/zinc/87/89/68/1254878968.db2.gz GDOXYBAKOWOOHW-KBRIMQKVSA-N 2 1 364.446 0.082 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777651 1254979404 /nfs/dbraw/zinc/97/94/04/1254979404.db2.gz UZDFCAVJPYRBQA-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777651 1254979416 /nfs/dbraw/zinc/97/94/16/1254979416.db2.gz UZDFCAVJPYRBQA-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777651 1254979424 /nfs/dbraw/zinc/97/94/24/1254979424.db2.gz UZDFCAVJPYRBQA-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777651 1254979434 /nfs/dbraw/zinc/97/94/34/1254979434.db2.gz UZDFCAVJPYRBQA-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008313 1255164202 /nfs/dbraw/zinc/16/42/02/1255164202.db2.gz CIPGFVCCPHYUEK-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008313 1255164207 /nfs/dbraw/zinc/16/42/07/1255164207.db2.gz CIPGFVCCPHYUEK-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008313 1255164215 /nfs/dbraw/zinc/16/42/15/1255164215.db2.gz CIPGFVCCPHYUEK-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008313 1255164219 /nfs/dbraw/zinc/16/42/19/1255164219.db2.gz CIPGFVCCPHYUEK-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078011921 1255166818 /nfs/dbraw/zinc/16/68/18/1255166818.db2.gz NXXIVFBMQPAJCX-QZTJIDSGSA-N 2 1 359.470 0.631 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078011921 1255166827 /nfs/dbraw/zinc/16/68/27/1255166827.db2.gz NXXIVFBMQPAJCX-QZTJIDSGSA-N 2 1 359.470 0.631 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012024 1255168374 /nfs/dbraw/zinc/16/83/74/1255168374.db2.gz RLLZLDUPUAMCLM-QZTJIDSGSA-N 2 1 371.481 0.421 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001078026898 1255183923 /nfs/dbraw/zinc/18/39/23/1255183923.db2.gz WPNMYOBVOSDCND-GVDBMIGSSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001078026898 1255183928 /nfs/dbraw/zinc/18/39/28/1255183928.db2.gz WPNMYOBVOSDCND-GVDBMIGSSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175408 1255287183 /nfs/dbraw/zinc/28/71/83/1255287183.db2.gz ZCISQDDUPRGQCA-CGTJXYLNSA-N 2 1 370.453 0.955 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175408 1255287188 /nfs/dbraw/zinc/28/71/88/1255287188.db2.gz ZCISQDDUPRGQCA-CGTJXYLNSA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175408 1255287192 /nfs/dbraw/zinc/28/71/92/1255287192.db2.gz ZCISQDDUPRGQCA-CGTJXYLNSA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175408 1255287198 /nfs/dbraw/zinc/28/71/98/1255287198.db2.gz ZCISQDDUPRGQCA-CGTJXYLNSA-N 2 1 370.453 0.955 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nccn3C)C2)CC[N@H+]1C ZINC001078404330 1255409166 /nfs/dbraw/zinc/40/91/66/1255409166.db2.gz YHDBWRDQMQSGJE-IXDOHACOSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001078993354 1255438109 /nfs/dbraw/zinc/43/81/09/1255438109.db2.gz RIYSCGKFWCBNPK-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001078993354 1255438112 /nfs/dbraw/zinc/43/81/12/1255438112.db2.gz RIYSCGKFWCBNPK-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079250113 1255487826 /nfs/dbraw/zinc/48/78/26/1255487826.db2.gz MSAOZXLAPUQYAH-YESZJQIVSA-N 2 1 362.474 0.512 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259591 1255492248 /nfs/dbraw/zinc/49/22/48/1255492248.db2.gz IJAJYTHRCSGXQT-OKZBNKHCSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079300311 1255503493 /nfs/dbraw/zinc/50/34/93/1255503493.db2.gz BLWRNRACDKNETG-UAGQMJEPSA-N 2 1 362.449 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707709 1255582213 /nfs/dbraw/zinc/58/22/13/1255582213.db2.gz RGZMNKCLKCPQKT-BPQIPLTHSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717333 1255583034 /nfs/dbraw/zinc/58/30/34/1255583034.db2.gz CLWAAAUTKNMUBK-NVXWUHKLSA-N 2 1 359.478 0.392 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079710837 1255583244 /nfs/dbraw/zinc/58/32/44/1255583244.db2.gz YQKMOLHXFFNSQX-XOKHGSTOSA-N 2 1 360.506 0.885 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079710837 1255583248 /nfs/dbraw/zinc/58/32/48/1255583248.db2.gz YQKMOLHXFFNSQX-XOKHGSTOSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717636 1255584983 /nfs/dbraw/zinc/58/49/83/1255584983.db2.gz SOGOCAWISCLMNL-CRAIPNDOSA-N 2 1 363.506 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079940487 1255674427 /nfs/dbraw/zinc/67/44/27/1255674427.db2.gz OHORUJNJBJXXAG-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079940487 1255674429 /nfs/dbraw/zinc/67/44/29/1255674429.db2.gz OHORUJNJBJXXAG-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013294 1255707301 /nfs/dbraw/zinc/70/73/01/1255707301.db2.gz AXOIJJUXIFBKCO-CSMYWGQOSA-N 2 1 355.442 0.924 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013294 1255707306 /nfs/dbraw/zinc/70/73/06/1255707306.db2.gz AXOIJJUXIFBKCO-CSMYWGQOSA-N 2 1 355.442 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080051043 1255725627 /nfs/dbraw/zinc/72/56/27/1255725627.db2.gz LBQRTTVJTZKYTJ-CZUORRHYSA-N 2 1 369.425 0.533 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160938 1255765712 /nfs/dbraw/zinc/76/57/12/1255765712.db2.gz FKVBGIQROSVBHJ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160938 1255765715 /nfs/dbraw/zinc/76/57/15/1255765715.db2.gz FKVBGIQROSVBHJ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160938 1255765719 /nfs/dbraw/zinc/76/57/19/1255765719.db2.gz FKVBGIQROSVBHJ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160938 1255765727 /nfs/dbraw/zinc/76/57/27/1255765727.db2.gz FKVBGIQROSVBHJ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164538 1255768070 /nfs/dbraw/zinc/76/80/70/1255768070.db2.gz HAQHHMUAOBILDZ-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164538 1255768079 /nfs/dbraw/zinc/76/80/79/1255768079.db2.gz HAQHHMUAOBILDZ-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164538 1255768088 /nfs/dbraw/zinc/76/80/88/1255768088.db2.gz HAQHHMUAOBILDZ-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164538 1255768096 /nfs/dbraw/zinc/76/80/96/1255768096.db2.gz HAQHHMUAOBILDZ-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318218 1255838275 /nfs/dbraw/zinc/83/82/75/1255838275.db2.gz KKJPOFRYIJMSST-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318218 1255838286 /nfs/dbraw/zinc/83/82/86/1255838286.db2.gz KKJPOFRYIJMSST-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318218 1255838294 /nfs/dbraw/zinc/83/82/94/1255838294.db2.gz KKJPOFRYIJMSST-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080318218 1255838302 /nfs/dbraw/zinc/83/83/02/1255838302.db2.gz KKJPOFRYIJMSST-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cn1 ZINC001080593129 1255946881 /nfs/dbraw/zinc/94/68/81/1255946881.db2.gz KBTQQVKEBVPQAH-RDTXWAMCSA-N 2 1 371.489 0.793 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cn1 ZINC001080593129 1255946890 /nfs/dbraw/zinc/94/68/90/1255946890.db2.gz KBTQQVKEBVPQAH-RDTXWAMCSA-N 2 1 371.489 0.793 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080592973 1255947216 /nfs/dbraw/zinc/94/72/16/1255947216.db2.gz ANWRUFLVLGRGQG-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080592973 1255947225 /nfs/dbraw/zinc/94/72/25/1255947225.db2.gz ANWRUFLVLGRGQG-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080936077 1256103036 /nfs/dbraw/zinc/10/30/36/1256103036.db2.gz HKWPFWLPZMJARP-RBSFLKMASA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080936077 1256103046 /nfs/dbraw/zinc/10/30/46/1256103046.db2.gz HKWPFWLPZMJARP-RBSFLKMASA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080936077 1256103050 /nfs/dbraw/zinc/10/30/50/1256103050.db2.gz HKWPFWLPZMJARP-RBSFLKMASA-N 2 1 363.510 0.359 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001081098185 1256176380 /nfs/dbraw/zinc/17/63/80/1256176380.db2.gz YZINEBALCRLKSU-OTWHNJEPSA-N 2 1 370.497 0.897 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001081118474 1256185635 /nfs/dbraw/zinc/18/56/35/1256185635.db2.gz GARBNWPCCHDVGT-WNRNVDISSA-N 2 1 358.486 0.786 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081125547 1256188054 /nfs/dbraw/zinc/18/80/54/1256188054.db2.gz FYAULICUOKJHRE-BBWFWOEESA-N 2 1 367.453 0.830 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)C1 ZINC001081167998 1256197627 /nfs/dbraw/zinc/19/76/27/1256197627.db2.gz BURRNUPABGWXCS-IPMKNSEASA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)C1 ZINC001081167998 1256197629 /nfs/dbraw/zinc/19/76/29/1256197629.db2.gz BURRNUPABGWXCS-IPMKNSEASA-N 2 1 361.486 0.672 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2ccccc2)nn1 ZINC001081226723 1256210786 /nfs/dbraw/zinc/21/07/86/1256210786.db2.gz HEZVOMTYOLSDOO-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2ccccc2)nn1 ZINC001081226723 1256210792 /nfs/dbraw/zinc/21/07/92/1256210792.db2.gz HEZVOMTYOLSDOO-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226711 1256211269 /nfs/dbraw/zinc/21/12/69/1256211269.db2.gz GQJIJLODYTWWAC-YESZJQIVSA-N 2 1 369.473 0.246 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226711 1256211280 /nfs/dbraw/zinc/21/12/80/1256211280.db2.gz GQJIJLODYTWWAC-YESZJQIVSA-N 2 1 369.473 0.246 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226396 1256211648 /nfs/dbraw/zinc/21/16/48/1256211648.db2.gz AGQMAONXHKJNIG-OKZBNKHCSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226396 1256211655 /nfs/dbraw/zinc/21/16/55/1256211655.db2.gz AGQMAONXHKJNIG-OKZBNKHCSA-N 2 1 368.485 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001081226704 1256211813 /nfs/dbraw/zinc/21/18/13/1256211813.db2.gz GKIBWRUNTAULGE-GBESFXJTSA-N 2 1 370.497 0.755 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2ccccc2)n1 ZINC001081227174 1256212771 /nfs/dbraw/zinc/21/27/71/1256212771.db2.gz UMRSWRBMXMLLHJ-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2ccccc2)n1 ZINC001081227174 1256212774 /nfs/dbraw/zinc/21/27/74/1256212774.db2.gz UMRSWRBMXMLLHJ-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227097 1256212884 /nfs/dbraw/zinc/21/28/84/1256212884.db2.gz PWKJBZZYIAODAE-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081649538 1256318505 /nfs/dbraw/zinc/31/85/05/1256318505.db2.gz KWGFDBVXHAJUQA-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081649538 1256318514 /nfs/dbraw/zinc/31/85/14/1256318514.db2.gz KWGFDBVXHAJUQA-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081649538 1256318520 /nfs/dbraw/zinc/31/85/20/1256318520.db2.gz KWGFDBVXHAJUQA-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081649538 1256318526 /nfs/dbraw/zinc/31/85/26/1256318526.db2.gz KWGFDBVXHAJUQA-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949271 1256469188 /nfs/dbraw/zinc/46/91/88/1256469188.db2.gz HQRKCDZJHSLIRA-HZPDHXFCSA-N 2 1 363.462 0.019 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949271 1256469189 /nfs/dbraw/zinc/46/91/89/1256469189.db2.gz HQRKCDZJHSLIRA-HZPDHXFCSA-N 2 1 363.462 0.019 20 0 FCADMP COC[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001330502002 1266043175 /nfs/dbraw/zinc/04/31/75/1266043175.db2.gz MHSNONAOKQEGHO-ARFHVFGLSA-N 2 1 362.474 0.455 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095869 1256532752 /nfs/dbraw/zinc/53/27/52/1256532752.db2.gz MKOSZDDCUHZCEA-RTBURBONSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133406 1256550449 /nfs/dbraw/zinc/55/04/49/1256550449.db2.gz APEPAKXPAMORFD-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133406 1256550453 /nfs/dbraw/zinc/55/04/53/1256550453.db2.gz APEPAKXPAMORFD-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133406 1256550460 /nfs/dbraw/zinc/55/04/60/1256550460.db2.gz APEPAKXPAMORFD-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133406 1256550465 /nfs/dbraw/zinc/55/04/65/1256550465.db2.gz APEPAKXPAMORFD-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001082145755 1256561808 /nfs/dbraw/zinc/56/18/08/1256561808.db2.gz FFGZPLDWPJTKKQ-YYIAUSFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001082145755 1256561813 /nfs/dbraw/zinc/56/18/13/1256561813.db2.gz FFGZPLDWPJTKKQ-YYIAUSFCSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001082200116 1256586045 /nfs/dbraw/zinc/58/60/45/1256586045.db2.gz RPTHPWKADHPUJN-FGTMMUONSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001082200116 1256586050 /nfs/dbraw/zinc/58/60/50/1256586050.db2.gz RPTHPWKADHPUJN-FGTMMUONSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001082200116 1256586055 /nfs/dbraw/zinc/58/60/55/1256586055.db2.gz RPTHPWKADHPUJN-FGTMMUONSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001082200116 1256586062 /nfs/dbraw/zinc/58/60/62/1256586062.db2.gz RPTHPWKADHPUJN-FGTMMUONSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082317695 1256654291 /nfs/dbraw/zinc/65/42/91/1256654291.db2.gz IPGGMUQPIJJXSX-QXAKKESOSA-N 2 1 365.518 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326672 1256668019 /nfs/dbraw/zinc/66/80/19/1256668019.db2.gz NDGXARMOIYAGKQ-BRWVUGGUSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326672 1256668027 /nfs/dbraw/zinc/66/80/27/1256668027.db2.gz NDGXARMOIYAGKQ-BRWVUGGUSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326672 1256668031 /nfs/dbraw/zinc/66/80/31/1256668031.db2.gz NDGXARMOIYAGKQ-BRWVUGGUSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326672 1256668033 /nfs/dbraw/zinc/66/80/33/1256668033.db2.gz NDGXARMOIYAGKQ-BRWVUGGUSA-N 2 1 364.494 0.052 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082448213 1256765701 /nfs/dbraw/zinc/76/57/01/1256765701.db2.gz IIMQXINLUPCCPG-QBIMZIAESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001082459280 1256770182 /nfs/dbraw/zinc/77/01/82/1256770182.db2.gz WWQKZRIMLPWZMW-JLZZUVOBSA-N 2 1 359.430 0.490 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001082459280 1256770186 /nfs/dbraw/zinc/77/01/86/1256770186.db2.gz WWQKZRIMLPWZMW-JLZZUVOBSA-N 2 1 359.430 0.490 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082515345 1256801148 /nfs/dbraw/zinc/80/11/48/1256801148.db2.gz KCRFIPKGNBUPSV-VNQPRFMTSA-N 2 1 364.469 0.526 20 0 FCADMP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515749 1256801170 /nfs/dbraw/zinc/80/11/70/1256801170.db2.gz XDYHDQHUVILJIO-RPVQJOFSSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082518111 1256803265 /nfs/dbraw/zinc/80/32/65/1256803265.db2.gz ZZHGCURBSLSBED-GDBMZVCRSA-N 2 1 357.462 0.485 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001082522517 1256805008 /nfs/dbraw/zinc/80/50/08/1256805008.db2.gz MOOJCOWGIHCBJG-SLBVQIDZSA-N 2 1 361.494 0.675 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001082522517 1256805015 /nfs/dbraw/zinc/80/50/15/1256805015.db2.gz MOOJCOWGIHCBJG-SLBVQIDZSA-N 2 1 361.494 0.675 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557853 1256853878 /nfs/dbraw/zinc/85/38/78/1256853878.db2.gz KGYFHJBFPYXXBW-XYPHTWIQSA-N 2 1 360.462 0.746 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082561959 1256859320 /nfs/dbraw/zinc/85/93/20/1256859320.db2.gz CINYKPZCWFCQKB-XJKCOSOUSA-N 2 1 361.494 0.990 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082561959 1256859335 /nfs/dbraw/zinc/85/93/35/1256859335.db2.gz CINYKPZCWFCQKB-XJKCOSOUSA-N 2 1 361.494 0.990 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1)[NH+](C)C ZINC001082589192 1256902484 /nfs/dbraw/zinc/90/24/84/1256902484.db2.gz NTKGJHLNQDOMNA-DJIMGWMZSA-N 2 1 371.489 0.939 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)c1nnnn1C ZINC001082588831 1256902628 /nfs/dbraw/zinc/90/26/28/1256902628.db2.gz RKJFJPHUEKATNI-RBSFLKMASA-N 2 1 361.494 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082608122 1256919592 /nfs/dbraw/zinc/91/95/92/1256919592.db2.gz JAJACSZGLYEXQI-UKRRQHHQSA-N 2 1 363.510 0.800 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082608122 1256919596 /nfs/dbraw/zinc/91/95/96/1256919596.db2.gz JAJACSZGLYEXQI-UKRRQHHQSA-N 2 1 363.510 0.800 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001082646697 1256952799 /nfs/dbraw/zinc/95/27/99/1256952799.db2.gz MTCDZLCYSNXBDO-XOKHGSTOSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653466 1256958212 /nfs/dbraw/zinc/95/82/12/1256958212.db2.gz LZUCBKYKYQFAGK-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082719941 1257010354 /nfs/dbraw/zinc/01/03/54/1257010354.db2.gz XLLLBEIOBBEFGN-CZUORRHYSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082740908 1257021240 /nfs/dbraw/zinc/02/12/40/1257021240.db2.gz JXWBLSNXNYFHIF-RBSFLKMASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082740908 1257021247 /nfs/dbraw/zinc/02/12/47/1257021247.db2.gz JXWBLSNXNYFHIF-RBSFLKMASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082743712 1257024207 /nfs/dbraw/zinc/02/42/07/1257024207.db2.gz WWOQCTAHCCYPGQ-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001082783719 1257048780 /nfs/dbraw/zinc/04/87/80/1257048780.db2.gz LGGASNYFBYYMJR-GDBMZVCRSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)c1nncn1C ZINC001082828911 1257086652 /nfs/dbraw/zinc/08/66/52/1257086652.db2.gz QUPWDQQITHIAEW-IJEWVQPXSA-N 2 1 364.494 0.423 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082863561 1257113983 /nfs/dbraw/zinc/11/39/83/1257113983.db2.gz JFSPFHRCCFTNJG-CZUORRHYSA-N 2 1 360.458 0.780 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]32)n1 ZINC001083085089 1257286770 /nfs/dbraw/zinc/28/67/70/1257286770.db2.gz ZHMVWWRIBSSYFF-ZWKOTPCHSA-N 2 1 361.490 0.770 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CCC1 ZINC001083143874 1257397378 /nfs/dbraw/zinc/39/73/78/1257397378.db2.gz FLEKHASUGVLFBK-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CCC1 ZINC001083143874 1257397384 /nfs/dbraw/zinc/39/73/84/1257397384.db2.gz FLEKHASUGVLFBK-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001521343013 1266115170 /nfs/dbraw/zinc/11/51/70/1266115170.db2.gz UXHLWVYOCNVZMR-AEFFLSMTSA-N 2 1 366.554 0.042 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001521343014 1266115602 /nfs/dbraw/zinc/11/56/02/1266115602.db2.gz UXHLWVYOCNVZMR-FUHWJXTLSA-N 2 1 366.554 0.042 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723585 1257467588 /nfs/dbraw/zinc/46/75/88/1257467588.db2.gz QOCCCTHNZXIGNM-FGTMMUONSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723585 1257467592 /nfs/dbraw/zinc/46/75/92/1257467592.db2.gz QOCCCTHNZXIGNM-FGTMMUONSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723585 1257467599 /nfs/dbraw/zinc/46/75/99/1257467599.db2.gz QOCCCTHNZXIGNM-FGTMMUONSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723585 1257467604 /nfs/dbraw/zinc/46/76/04/1257467604.db2.gz QOCCCTHNZXIGNM-FGTMMUONSA-N 2 1 365.518 0.837 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782625 1257528603 /nfs/dbraw/zinc/52/86/03/1257528603.db2.gz DSCZBGQZNCHZAN-SQNIBIBYSA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782625 1257528606 /nfs/dbraw/zinc/52/86/06/1257528606.db2.gz DSCZBGQZNCHZAN-SQNIBIBYSA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782625 1257528611 /nfs/dbraw/zinc/52/86/11/1257528611.db2.gz DSCZBGQZNCHZAN-SQNIBIBYSA-N 2 1 367.534 0.821 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CCC1 ZINC001083826387 1257576832 /nfs/dbraw/zinc/57/68/32/1257576832.db2.gz PWFFGTBGKDESBL-IKGGRYGDSA-N 2 1 364.490 0.983 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)C1CCC1 ZINC001083826387 1257576834 /nfs/dbraw/zinc/57/68/34/1257576834.db2.gz PWFFGTBGKDESBL-IKGGRYGDSA-N 2 1 364.490 0.983 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)CN1CC[NH+](C)CC1 ZINC001521503674 1266128718 /nfs/dbraw/zinc/12/87/18/1266128718.db2.gz JZIQDDPAQKNQHL-BRSBDYLESA-N 2 1 352.523 0.533 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954354 1257741194 /nfs/dbraw/zinc/74/11/94/1257741194.db2.gz WLBLJOMWLSTXIU-XKQJLSEDSA-N 2 1 359.430 0.226 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954354 1257741200 /nfs/dbraw/zinc/74/12/00/1257741200.db2.gz WLBLJOMWLSTXIU-XKQJLSEDSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954354 1257741203 /nfs/dbraw/zinc/74/12/03/1257741203.db2.gz WLBLJOMWLSTXIU-XKQJLSEDSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083954354 1257741206 /nfs/dbraw/zinc/74/12/06/1257741206.db2.gz WLBLJOMWLSTXIU-XKQJLSEDSA-N 2 1 359.430 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959104 1257749416 /nfs/dbraw/zinc/74/94/16/1257749416.db2.gz GJLLNCXSGFGRIH-MSOLQXFVSA-N 2 1 371.481 0.985 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959104 1257749423 /nfs/dbraw/zinc/74/94/23/1257749423.db2.gz GJLLNCXSGFGRIH-MSOLQXFVSA-N 2 1 371.481 0.985 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1)C1CCC1 ZINC001083961689 1257754073 /nfs/dbraw/zinc/75/40/73/1257754073.db2.gz FASDJYRYUTZAMV-BPQIPLTHSA-N 2 1 362.474 0.738 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054160 1257864989 /nfs/dbraw/zinc/86/49/89/1257864989.db2.gz YTMQKYQKOFJKMC-KSZLIROESA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054160 1257864998 /nfs/dbraw/zinc/86/49/98/1257864998.db2.gz YTMQKYQKOFJKMC-KSZLIROESA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)C1 ZINC001084054160 1257865010 /nfs/dbraw/zinc/86/50/10/1257865010.db2.gz YTMQKYQKOFJKMC-KSZLIROESA-N 2 1 359.470 0.277 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057263 1257867378 /nfs/dbraw/zinc/86/73/78/1257867378.db2.gz CLMPIJIBTPKXIJ-OTWHNJEPSA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057263 1257867392 /nfs/dbraw/zinc/86/73/92/1257867392.db2.gz CLMPIJIBTPKXIJ-OTWHNJEPSA-N 2 1 361.486 0.501 20 0 FCADMP CCc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056839 1257868610 /nfs/dbraw/zinc/86/86/10/1257868610.db2.gz PYJRVIAHNHFUJA-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056839 1257868617 /nfs/dbraw/zinc/86/86/17/1257868617.db2.gz PYJRVIAHNHFUJA-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056839 1257868624 /nfs/dbraw/zinc/86/86/24/1257868624.db2.gz PYJRVIAHNHFUJA-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056839 1257868632 /nfs/dbraw/zinc/86/86/32/1257868632.db2.gz PYJRVIAHNHFUJA-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087842 1257910967 /nfs/dbraw/zinc/91/09/67/1257910967.db2.gz CRBHXVQTQIGARV-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001084347229 1258040942 /nfs/dbraw/zinc/04/09/42/1258040942.db2.gz KQTICGZGLJGNAD-KBAYOESNSA-N 2 1 360.502 0.482 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001084347229 1258040950 /nfs/dbraw/zinc/04/09/50/1258040950.db2.gz KQTICGZGLJGNAD-KBAYOESNSA-N 2 1 360.502 0.482 20 0 FCADMP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352015 1258044775 /nfs/dbraw/zinc/04/47/75/1258044775.db2.gz MDTGRQUCLWZTMB-MKXGPGLRSA-N 2 1 365.518 0.912 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)[C@@H]3C2)cc1=O ZINC001084406019 1258083691 /nfs/dbraw/zinc/08/36/91/1258083691.db2.gz CQTNTOYGFZTARH-LMMKCTJWSA-N 2 1 358.486 0.758 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001084407229 1258085472 /nfs/dbraw/zinc/08/54/72/1258085472.db2.gz MKEBCSLYODFPRK-IIDMSEBBSA-N 2 1 362.474 0.008 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001084407229 1258085478 /nfs/dbraw/zinc/08/54/78/1258085478.db2.gz MKEBCSLYODFPRK-IIDMSEBBSA-N 2 1 362.474 0.008 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001521663516 1266160595 /nfs/dbraw/zinc/16/05/95/1266160595.db2.gz IEXRSHWBHVDFFM-HFTRVMKXSA-N 2 1 350.507 0.951 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522273 1258149172 /nfs/dbraw/zinc/14/91/72/1258149172.db2.gz TVADQLQDKMSCDD-JJRVBVJISA-N 2 1 355.442 0.957 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522273 1258149173 /nfs/dbraw/zinc/14/91/73/1258149173.db2.gz TVADQLQDKMSCDD-JJRVBVJISA-N 2 1 355.442 0.957 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084522711 1258149216 /nfs/dbraw/zinc/14/92/16/1258149216.db2.gz FTHDXEVJCZDEAA-BZUAXINKSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084522711 1258149220 /nfs/dbraw/zinc/14/92/20/1258149220.db2.gz FTHDXEVJCZDEAA-BZUAXINKSA-N 2 1 355.446 0.503 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084702339 1258251325 /nfs/dbraw/zinc/25/13/25/1258251325.db2.gz TWXQBRCLAPYEPQ-BZUAXINKSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084702339 1258251331 /nfs/dbraw/zinc/25/13/31/1258251331.db2.gz TWXQBRCLAPYEPQ-BZUAXINKSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCn4cccn4)C[C@H]32)cn1 ZINC001084714619 1258260207 /nfs/dbraw/zinc/26/02/07/1258260207.db2.gz QXMHFWWZZRRUPP-SJLPKXTDSA-N 2 1 371.489 0.488 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084766700 1258304164 /nfs/dbraw/zinc/30/41/64/1258304164.db2.gz KIYKZHMMVVPLQC-KZNAEPCWSA-N 2 1 360.502 0.530 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084766700 1258304170 /nfs/dbraw/zinc/30/41/70/1258304170.db2.gz KIYKZHMMVVPLQC-KZNAEPCWSA-N 2 1 360.502 0.530 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001084775830 1258318386 /nfs/dbraw/zinc/31/83/86/1258318386.db2.gz VXQGIUPGVBFNID-RCCFBDPRSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084775830 1258318396 /nfs/dbraw/zinc/31/83/96/1258318396.db2.gz VXQGIUPGVBFNID-RCCFBDPRSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084775830 1258318404 /nfs/dbraw/zinc/31/84/04/1258318404.db2.gz VXQGIUPGVBFNID-RCCFBDPRSA-N 2 1 360.506 0.769 20 0 FCADMP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001084777526 1258318542 /nfs/dbraw/zinc/31/85/42/1258318542.db2.gz BIIPYNXJTPMXJY-QZTJIDSGSA-N 2 1 368.481 0.914 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084852902 1258401582 /nfs/dbraw/zinc/40/15/82/1258401582.db2.gz RULNYLRJZXJOHF-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084852902 1258401583 /nfs/dbraw/zinc/40/15/83/1258401583.db2.gz RULNYLRJZXJOHF-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084852902 1258401587 /nfs/dbraw/zinc/40/15/87/1258401587.db2.gz RULNYLRJZXJOHF-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084852902 1258401588 /nfs/dbraw/zinc/40/15/88/1258401588.db2.gz RULNYLRJZXJOHF-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001084964897 1258477586 /nfs/dbraw/zinc/47/75/86/1258477586.db2.gz XBMQBUQQMVXDMF-IKGGRYGDSA-N 2 1 365.522 0.521 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032735 1258534451 /nfs/dbraw/zinc/53/44/51/1258534451.db2.gz XEMIOONMPWZOPP-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032735 1258534456 /nfs/dbraw/zinc/53/44/56/1258534456.db2.gz XEMIOONMPWZOPP-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032735 1258534459 /nfs/dbraw/zinc/53/44/59/1258534459.db2.gz XEMIOONMPWZOPP-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)nn1 ZINC001085092828 1258585556 /nfs/dbraw/zinc/58/55/56/1258585556.db2.gz RMKNSUCPPKVRBG-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)nn1 ZINC001085092828 1258585561 /nfs/dbraw/zinc/58/55/61/1258585561.db2.gz RMKNSUCPPKVRBG-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)nn1 ZINC001085092828 1258585566 /nfs/dbraw/zinc/58/55/66/1258585566.db2.gz RMKNSUCPPKVRBG-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)nn1 ZINC001085092828 1258585572 /nfs/dbraw/zinc/58/55/72/1258585572.db2.gz RMKNSUCPPKVRBG-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085196634 1258626740 /nfs/dbraw/zinc/62/67/40/1258626740.db2.gz IFPODYPEJTUXAU-ZACQAIPSSA-N 2 1 365.522 0.901 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CC(=O)NC1CCOCC1 ZINC001087519559 1258638853 /nfs/dbraw/zinc/63/88/53/1258638853.db2.gz SPBXYYBJRBGFNG-BBWFWOEESA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1CC(=O)NC1CCOCC1 ZINC001087519559 1258638858 /nfs/dbraw/zinc/63/88/58/1258638858.db2.gz SPBXYYBJRBGFNG-BBWFWOEESA-N 2 1 366.506 0.345 20 0 FCADMP Cc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140483 1258654009 /nfs/dbraw/zinc/65/40/09/1258654009.db2.gz OBEDIZQGMDCZPW-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP Cc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140483 1258654020 /nfs/dbraw/zinc/65/40/20/1258654020.db2.gz OBEDIZQGMDCZPW-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153748 1258664769 /nfs/dbraw/zinc/66/47/69/1258664769.db2.gz IUZRSZTWFPXYNJ-FMKPAKJESA-N 2 1 368.441 0.535 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153748 1258664778 /nfs/dbraw/zinc/66/47/78/1258664778.db2.gz IUZRSZTWFPXYNJ-FMKPAKJESA-N 2 1 368.441 0.535 20 0 FCADMP C[NH+](C)[C@](C)(C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)c1ccccc1 ZINC001088166972 1258682202 /nfs/dbraw/zinc/68/22/02/1258682202.db2.gz AZICMWZLRJMFRV-GUXCAODWSA-N 2 1 358.486 0.729 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)n1 ZINC001088171854 1258693495 /nfs/dbraw/zinc/69/34/95/1258693495.db2.gz KJHUWXZFFBYQRA-CVEARBPZSA-N 2 1 371.485 0.861 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)n1 ZINC001088171854 1258693504 /nfs/dbraw/zinc/69/35/04/1258693504.db2.gz KJHUWXZFFBYQRA-CVEARBPZSA-N 2 1 371.485 0.861 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670884 1258812234 /nfs/dbraw/zinc/81/22/34/1258812234.db2.gz BNRIPOVFYKYGFP-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670884 1258812241 /nfs/dbraw/zinc/81/22/41/1258812241.db2.gz BNRIPOVFYKYGFP-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670884 1258812249 /nfs/dbraw/zinc/81/22/49/1258812249.db2.gz BNRIPOVFYKYGFP-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670884 1258812253 /nfs/dbraw/zinc/81/22/53/1258812253.db2.gz BNRIPOVFYKYGFP-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671034 1258813233 /nfs/dbraw/zinc/81/32/33/1258813233.db2.gz FDSOXBOPQGPGPR-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671034 1258813239 /nfs/dbraw/zinc/81/32/39/1258813239.db2.gz FDSOXBOPQGPGPR-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671034 1258813244 /nfs/dbraw/zinc/81/32/44/1258813244.db2.gz FDSOXBOPQGPGPR-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092671034 1258813248 /nfs/dbraw/zinc/81/32/48/1258813248.db2.gz FDSOXBOPQGPGPR-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782029 1258845072 /nfs/dbraw/zinc/84/50/72/1258845072.db2.gz BOMKERGKLLSBFT-GDBMZVCRSA-N 2 1 355.442 0.864 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001100344939 1258908581 /nfs/dbraw/zinc/90/85/81/1258908581.db2.gz JUMFPWBMTKRFHC-ZGUYJTEBSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001100438182 1258911184 /nfs/dbraw/zinc/91/11/84/1258911184.db2.gz SXFSLCSOBCIMQO-LHUBUQBQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001100438182 1258911191 /nfs/dbraw/zinc/91/11/91/1258911191.db2.gz SXFSLCSOBCIMQO-LHUBUQBQSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637441 1258920443 /nfs/dbraw/zinc/92/04/43/1258920443.db2.gz PQQIUYAQJZKLTD-LFGUQSLTSA-N 2 1 367.534 0.819 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667066 1258936785 /nfs/dbraw/zinc/93/67/85/1258936785.db2.gz GQMVYVNECCZXCP-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001106672513 1258938168 /nfs/dbraw/zinc/93/81/68/1258938168.db2.gz AJTSYQQGJNGGKS-QLFBSQMISA-N 2 1 365.526 0.933 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106673448 1258939077 /nfs/dbraw/zinc/93/90/77/1258939077.db2.gz ZDRWXYJOHNOUGU-RBSFLKMASA-N 2 1 366.506 0.454 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106840330 1258973554 /nfs/dbraw/zinc/97/35/54/1258973554.db2.gz IKBSIEWOYMAJMW-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874564 1258985418 /nfs/dbraw/zinc/98/54/18/1258985418.db2.gz LAINUAFIENQEDQ-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001107008911 1259016477 /nfs/dbraw/zinc/01/64/77/1259016477.db2.gz BSERHJXOPNASSQ-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001107008911 1259016489 /nfs/dbraw/zinc/01/64/89/1259016489.db2.gz BSERHJXOPNASSQ-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039457 1259022094 /nfs/dbraw/zinc/02/20/94/1259022094.db2.gz SGWZQULMFJMZMU-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042426 1259023804 /nfs/dbraw/zinc/02/38/04/1259023804.db2.gz MFVFOHKTPWXXBW-BRWVUGGUSA-N 2 1 370.538 0.552 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001107042374 1259023899 /nfs/dbraw/zinc/02/38/99/1259023899.db2.gz KCYYNEIZZLFDTM-HUUCEWRRSA-N 2 1 365.526 0.952 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001107042374 1259023906 /nfs/dbraw/zinc/02/39/06/1259023906.db2.gz KCYYNEIZZLFDTM-HUUCEWRRSA-N 2 1 365.526 0.952 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001107042698 1259023936 /nfs/dbraw/zinc/02/39/36/1259023936.db2.gz YMERNTMEIJYJSY-IXDOHACOSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001107074952 1259028656 /nfs/dbraw/zinc/02/86/56/1259028656.db2.gz MTGZUHNLBKNWPR-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001107074952 1259028665 /nfs/dbraw/zinc/02/86/65/1259028665.db2.gz MTGZUHNLBKNWPR-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]CCOCCO ZINC001107072654 1259028774 /nfs/dbraw/zinc/02/87/74/1259028774.db2.gz YTOYCOBLQQFJNZ-IEBWSBKVSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]CCOCCO ZINC001107072654 1259028783 /nfs/dbraw/zinc/02/87/83/1259028783.db2.gz YTOYCOBLQQFJNZ-IEBWSBKVSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@H](O)CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172800 1259035857 /nfs/dbraw/zinc/03/58/57/1259035857.db2.gz MGRSYXCSECXYCF-JJRVBVJISA-N 2 1 364.494 0.252 20 0 FCADMP C[C@H](O)CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172800 1259035867 /nfs/dbraw/zinc/03/58/67/1259035867.db2.gz MGRSYXCSECXYCF-JJRVBVJISA-N 2 1 364.494 0.252 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331511976 1266231185 /nfs/dbraw/zinc/23/11/85/1266231185.db2.gz AUIIYGRIGOZFAL-AWEZNQCLSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331511976 1266231196 /nfs/dbraw/zinc/23/11/96/1266231196.db2.gz AUIIYGRIGOZFAL-AWEZNQCLSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107550188 1259114090 /nfs/dbraw/zinc/11/40/90/1259114090.db2.gz PGQKVJGQKRWWQA-YQVWRLOYSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)C1 ZINC001107550188 1259114092 /nfs/dbraw/zinc/11/40/92/1259114092.db2.gz PGQKVJGQKRWWQA-YQVWRLOYSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)C1 ZINC001107550188 1259114096 /nfs/dbraw/zinc/11/40/96/1259114096.db2.gz PGQKVJGQKRWWQA-YQVWRLOYSA-N 2 1 360.506 0.981 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107598812 1259129235 /nfs/dbraw/zinc/12/92/35/1259129235.db2.gz YELQACFYLKSWAO-RDTXWAMCSA-N 2 1 364.494 0.311 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107598812 1259129241 /nfs/dbraw/zinc/12/92/41/1259129241.db2.gz YELQACFYLKSWAO-RDTXWAMCSA-N 2 1 364.494 0.311 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107598812 1259129243 /nfs/dbraw/zinc/12/92/43/1259129243.db2.gz YELQACFYLKSWAO-RDTXWAMCSA-N 2 1 364.494 0.311 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608460 1259132358 /nfs/dbraw/zinc/13/23/58/1259132358.db2.gz RZWGQBIANFZYNR-VQIMIIECSA-N 2 1 362.518 0.969 20 0 FCADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571353 1259181493 /nfs/dbraw/zinc/18/14/93/1259181493.db2.gz QEUPVEZTSPGTCV-WBVHZDCISA-N 2 1 364.494 0.251 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nc3ccccc3c(=O)n2C)CC[N@@H+]1C ZINC001127695743 1259184471 /nfs/dbraw/zinc/18/44/71/1259184471.db2.gz WFSRLJOODAYWRJ-DOTOQJQBSA-N 2 1 371.485 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nc3ccccc3c(=O)n2C)CC[N@H+]1C ZINC001127695743 1259184474 /nfs/dbraw/zinc/18/44/74/1259184474.db2.gz WFSRLJOODAYWRJ-DOTOQJQBSA-N 2 1 371.485 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCc3ccccc3C2)CC[N@H+]1C ZINC001127659472 1259185036 /nfs/dbraw/zinc/18/50/36/1259185036.db2.gz CHAVQTQKFUSAON-CRAIPNDOSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603597 1266247934 /nfs/dbraw/zinc/24/79/34/1266247934.db2.gz HBCZECOCUNXMNE-DDBAPUKQSA-N 2 1 358.486 0.867 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048711 1259299570 /nfs/dbraw/zinc/29/95/70/1259299570.db2.gz HRWBKOKCUHOJJW-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052262 1259299762 /nfs/dbraw/zinc/29/97/62/1259299762.db2.gz AUAPMOHVQVFWEF-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001129103582 1259315585 /nfs/dbraw/zinc/31/55/85/1259315585.db2.gz NJOWBCUFZSCEBO-SJORKVTESA-N 2 1 369.429 0.618 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129204805 1259344872 /nfs/dbraw/zinc/34/48/72/1259344872.db2.gz KGSPFKLJXKWXQD-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228464 1259351476 /nfs/dbraw/zinc/35/14/76/1259351476.db2.gz UCCTYPFGGQQUPK-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228464 1259351485 /nfs/dbraw/zinc/35/14/85/1259351485.db2.gz UCCTYPFGGQQUPK-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263042 1259358756 /nfs/dbraw/zinc/35/87/56/1259358756.db2.gz ZCSYCAHRSQAQMW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263042 1259358764 /nfs/dbraw/zinc/35/87/64/1259358764.db2.gz ZCSYCAHRSQAQMW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263042 1259358773 /nfs/dbraw/zinc/35/87/73/1259358773.db2.gz ZCSYCAHRSQAQMW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263042 1259358779 /nfs/dbraw/zinc/35/87/79/1259358779.db2.gz ZCSYCAHRSQAQMW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267083 1259361976 /nfs/dbraw/zinc/36/19/76/1259361976.db2.gz WSCYYNZWRCFWDC-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276418 1259363014 /nfs/dbraw/zinc/36/30/14/1259363014.db2.gz JFCNPUMFRIHZFE-IKGGRYGDSA-N 2 1 366.510 0.632 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276418 1259363019 /nfs/dbraw/zinc/36/30/19/1259363019.db2.gz JFCNPUMFRIHZFE-IKGGRYGDSA-N 2 1 366.510 0.632 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276402 1259363967 /nfs/dbraw/zinc/36/39/67/1259363967.db2.gz INULWORRLPADEU-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1C ZINC001141564777 1259379573 /nfs/dbraw/zinc/37/95/73/1259379573.db2.gz LTLXPIQBZWNTJO-DOTOQJQBSA-N 2 1 366.506 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1C ZINC001141564777 1259379577 /nfs/dbraw/zinc/37/95/77/1259379577.db2.gz LTLXPIQBZWNTJO-DOTOQJQBSA-N 2 1 366.506 0.488 20 0 FCADMP NC(=O)C1CC[NH+](CCC(=O)N[C@H]2CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001180612988 1259395981 /nfs/dbraw/zinc/39/59/81/1259395981.db2.gz KSPDUHOOHOELBQ-KRWDZBQOSA-N 2 1 359.474 0.360 20 0 FCADMP NC(=O)C1CC[NH+](CCC(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001180612988 1259395988 /nfs/dbraw/zinc/39/59/88/1259395988.db2.gz KSPDUHOOHOELBQ-KRWDZBQOSA-N 2 1 359.474 0.360 20 0 FCADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180611094 1259396159 /nfs/dbraw/zinc/39/61/59/1259396159.db2.gz AUCJLZMGJNYPHV-INIZCTEOSA-N 2 1 368.522 0.437 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCOC)C2)CC[N@H+]1C ZINC001200554719 1259416406 /nfs/dbraw/zinc/41/64/06/1259416406.db2.gz LUEHKEIJEVCBSQ-FGTMMUONSA-N 2 1 371.522 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001200636054 1259419394 /nfs/dbraw/zinc/41/93/94/1259419394.db2.gz FFGGGTRZPDRNFJ-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCO1 ZINC001200729442 1259419632 /nfs/dbraw/zinc/41/96/32/1259419632.db2.gz NRPNAVCWAMXZKH-RRFJBIMHSA-N 2 1 363.462 0.199 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001212295340 1259454933 /nfs/dbraw/zinc/45/49/33/1259454933.db2.gz JFEHWHIAKDWGIU-IAGOWNOFSA-N 2 1 367.494 0.299 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405785 1259492331 /nfs/dbraw/zinc/49/23/31/1259492331.db2.gz BZXWKURKLVHFMG-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405785 1259492335 /nfs/dbraw/zinc/49/23/35/1259492335.db2.gz BZXWKURKLVHFMG-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405785 1259492340 /nfs/dbraw/zinc/49/23/40/1259492340.db2.gz BZXWKURKLVHFMG-FGTMMUONSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408526 1259494052 /nfs/dbraw/zinc/49/40/52/1259494052.db2.gz VFHBZIRRQRWYFI-IAGOWNOFSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408526 1259494053 /nfs/dbraw/zinc/49/40/53/1259494053.db2.gz VFHBZIRRQRWYFI-IAGOWNOFSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418124 1259498036 /nfs/dbraw/zinc/49/80/36/1259498036.db2.gz BLPAJGIRRPWYGK-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418124 1259498040 /nfs/dbraw/zinc/49/80/40/1259498040.db2.gz BLPAJGIRRPWYGK-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418124 1259498042 /nfs/dbraw/zinc/49/80/42/1259498042.db2.gz BLPAJGIRRPWYGK-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430655 1259503159 /nfs/dbraw/zinc/50/31/59/1259503159.db2.gz VMZDJWAAHCEDEP-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430655 1259503162 /nfs/dbraw/zinc/50/31/62/1259503162.db2.gz VMZDJWAAHCEDEP-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430655 1259503165 /nfs/dbraw/zinc/50/31/65/1259503165.db2.gz VMZDJWAAHCEDEP-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430655 1259503171 /nfs/dbraw/zinc/50/31/71/1259503171.db2.gz VMZDJWAAHCEDEP-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1)OC ZINC001212458492 1259514010 /nfs/dbraw/zinc/51/40/10/1259514010.db2.gz HRZJHFDMFAZQGV-GVDBMIGSSA-N 2 1 371.522 0.585 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216229108 1259537516 /nfs/dbraw/zinc/53/75/16/1259537516.db2.gz BFASBGSYEFBFLN-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP c1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc(OCCN2CCOCC2)c1 ZINC001234985652 1259565944 /nfs/dbraw/zinc/56/59/44/1259565944.db2.gz DERJNZKOQGTKML-HXUWFJFHSA-N 2 1 360.502 0.535 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C[C@@H]2N1 ZINC001235284029 1259569447 /nfs/dbraw/zinc/56/94/47/1259569447.db2.gz RRUVRRHYAKKBMV-QRQLOZEOSA-N 2 1 358.486 0.822 20 0 FCADMP CC1(C)NC[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)O1 ZINC001235469990 1259572992 /nfs/dbraw/zinc/57/29/92/1259572992.db2.gz UTDWFUIBEBIIMF-LXTVHRRPSA-N 2 1 361.446 0.334 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)O1 ZINC001235469990 1259572999 /nfs/dbraw/zinc/57/29/99/1259572999.db2.gz UTDWFUIBEBIIMF-LXTVHRRPSA-N 2 1 361.446 0.334 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)O1 ZINC001235469990 1259573005 /nfs/dbraw/zinc/57/30/05/1259573005.db2.gz UTDWFUIBEBIIMF-LXTVHRRPSA-N 2 1 361.446 0.334 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)O1 ZINC001235614718 1259579885 /nfs/dbraw/zinc/57/98/85/1259579885.db2.gz GWSQDZKLNWAHEL-TWMKSMIVSA-N 2 1 367.490 0.297 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)O1 ZINC001235614718 1259579890 /nfs/dbraw/zinc/57/98/90/1259579890.db2.gz GWSQDZKLNWAHEL-TWMKSMIVSA-N 2 1 367.490 0.297 20 0 FCADMP Nc1ncc(-c2ccccc2C[NH+]2CCNCC[NH2+]CCNCC2)cn1 ZINC001235869871 1259582130 /nfs/dbraw/zinc/58/21/30/1259582130.db2.gz JIRDWSISKUPJHM-UHFFFAOYSA-N 2 1 355.490 0.310 20 0 FCADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236309532 1259589450 /nfs/dbraw/zinc/58/94/50/1259589450.db2.gz MMEUGHIZSMBMNO-LJQANCHMSA-N 3 1 361.534 0.624 20 0 FCADMP CN(C)CC(=O)N[C@@H]1CCCN(Cc2cccc(N3CCOCC3)n2)C1 ZINC001237848062 1259612112 /nfs/dbraw/zinc/61/21/12/1259612112.db2.gz AZFKZAMPEWHKSC-QGZVFWFLSA-N 2 1 361.490 0.560 20 0 FCADMP c1nn(CC[NH+]2CCOCC2)cc1-c1cnc(O[C@@H]2CCC[NH2+]C2)nc1 ZINC001240542260 1259628908 /nfs/dbraw/zinc/62/89/08/1259628908.db2.gz GJTMVLHGSGSPFX-QGZVFWFLSA-N 2 1 358.446 0.803 20 0 FCADMP O=C(c1cccc(-c2cnn(CC[NH+]3CCOCC3)c2)c1)N1CC[NH2+]CC1 ZINC001240544692 1259630836 /nfs/dbraw/zinc/63/08/36/1259630836.db2.gz BFKRKQSNGDEATA-UHFFFAOYSA-N 2 1 369.469 0.928 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335385197 1259635982 /nfs/dbraw/zinc/63/59/82/1259635982.db2.gz XSFGCBLOTUFQJL-INIZCTEOSA-N 2 1 353.511 0.808 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001335385196 1259636677 /nfs/dbraw/zinc/63/66/77/1259636677.db2.gz XQBIKJKNIPOGLQ-LJQANCHMSA-N 2 1 365.522 0.905 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245978754 1259641411 /nfs/dbraw/zinc/64/14/11/1259641411.db2.gz DYGFJGJUUSMHHU-JCGIZDLHSA-N 2 1 369.456 0.944 20 0 FCADMP CC(C)C[C@H]([NH2+]C1CC[NH2+]CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001246482856 1259653960 /nfs/dbraw/zinc/65/39/60/1259653960.db2.gz OQZNWDZMZXRMLZ-ROUUACIJSA-N 2 1 360.502 0.956 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636852 1259655917 /nfs/dbraw/zinc/65/59/17/1259655917.db2.gz XJGOTZWYLOFZMH-SOUVJXGZSA-N 2 1 374.489 0.429 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636852 1259655927 /nfs/dbraw/zinc/65/59/27/1259655927.db2.gz XJGOTZWYLOFZMH-SOUVJXGZSA-N 2 1 374.489 0.429 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CN1 ZINC001246609374 1259656579 /nfs/dbraw/zinc/65/65/79/1259656579.db2.gz MZHPTNWAICAFQP-RCJHGTSTSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671275 1259659265 /nfs/dbraw/zinc/65/92/65/1259659265.db2.gz ILDRWHJBPFPGIU-TVRAHDOYSA-N 2 1 365.474 0.001 20 0 FCADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246712145 1259666759 /nfs/dbraw/zinc/66/67/59/1259666759.db2.gz FBFZLCUGTNZIQL-FCGDIQPGSA-N 2 1 365.518 0.755 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CN1 ZINC001246706915 1259667152 /nfs/dbraw/zinc/66/71/52/1259667152.db2.gz DEHMPJUQLXQETM-RDJZCZTQSA-N 2 1 361.490 0.631 20 0 FCADMP Cc1nc2n(n1)C[C@@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC[NH2+]CC1)CC2 ZINC001335457630 1259670529 /nfs/dbraw/zinc/67/05/29/1259670529.db2.gz NEQZJKKAVAECKD-BHYGNILZSA-N 2 1 373.505 0.512 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733007 1259673118 /nfs/dbraw/zinc/67/31/18/1259673118.db2.gz CPGWSPWJAUNENH-WFXMFSGNSA-N 2 1 358.490 0.634 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246736659 1259673601 /nfs/dbraw/zinc/67/36/01/1259673601.db2.gz HZQJCHZCYPCSMR-RIFZZMRRSA-N 2 1 371.485 0.862 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246736659 1259673607 /nfs/dbraw/zinc/67/36/07/1259673607.db2.gz HZQJCHZCYPCSMR-RIFZZMRRSA-N 2 1 371.485 0.862 20 0 FCADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)N1Cc1cccnc1 ZINC001246741361 1259675816 /nfs/dbraw/zinc/67/58/16/1259675816.db2.gz XWSKTPLVSOEWTQ-RCCFBDPRSA-N 2 1 355.486 0.741 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C[NH2+]1 ZINC001246746325 1259678389 /nfs/dbraw/zinc/67/83/89/1259678389.db2.gz JEWPZXWBGISVQU-SJORKVTESA-N 2 1 366.506 0.155 20 0 FCADMP Cc1noc(C)c1CN1CCO[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246748439 1259679910 /nfs/dbraw/zinc/67/99/10/1259679910.db2.gz UDFBNHMAHIEUBI-JQHSSLGASA-N 2 1 361.490 0.270 20 0 FCADMP O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766035 1259684039 /nfs/dbraw/zinc/68/40/39/1259684039.db2.gz OKCVTUGVPPAAOI-OXJNMPFZSA-N 2 1 374.485 0.681 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])C2 ZINC001246919050 1259694676 /nfs/dbraw/zinc/69/46/76/1259694676.db2.gz IPBLZYJTCXUYGE-ZSHCYNCHSA-N 3 1 369.510 0.254 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])C2 ZINC001246919050 1259694688 /nfs/dbraw/zinc/69/46/88/1259694688.db2.gz IPBLZYJTCXUYGE-ZSHCYNCHSA-N 3 1 369.510 0.254 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246903282 1259695132 /nfs/dbraw/zinc/69/51/32/1259695132.db2.gz JQXJMBIPMFOVPR-YGPBLSMFSA-N 2 1 359.470 0.993 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001246903282 1259695143 /nfs/dbraw/zinc/69/51/43/1259695143.db2.gz JQXJMBIPMFOVPR-YGPBLSMFSA-N 2 1 359.470 0.993 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC001335522038 1259697600 /nfs/dbraw/zinc/69/76/00/1259697600.db2.gz MYHYXNQHICJBKN-INIZCTEOSA-N 2 1 367.538 0.470 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246945476 1259698199 /nfs/dbraw/zinc/69/81/99/1259698199.db2.gz YTTFHKVHTPXKRS-LJQANCHMSA-N 3 1 366.550 0.531 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4C[NH2+]CC[C@H]4O)n3)c2)CC1 ZINC001247754548 1259704700 /nfs/dbraw/zinc/70/47/00/1259704700.db2.gz ANMUKWYDIVCWQQ-IAGOWNOFSA-N 2 1 357.458 0.922 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4C[NH2+]C[C@H](O)C4)n3)c2)CC1 ZINC001247746260 1259705125 /nfs/dbraw/zinc/70/51/25/1259705125.db2.gz ALKQRLNCPKHDKI-DLBZAZTESA-N 2 1 357.458 0.922 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001335607665 1259739599 /nfs/dbraw/zinc/73/95/99/1259739599.db2.gz RECUXBYEFBGZTM-SJORKVTESA-N 2 1 366.506 0.651 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC001251188987 1259740437 /nfs/dbraw/zinc/74/04/37/1259740437.db2.gz FIKMSUCFYRRGGB-GOSISDBHSA-N 2 1 361.486 0.912 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986841 1259771957 /nfs/dbraw/zinc/77/19/57/1259771957.db2.gz ZAEHFMWVJSBGQA-CEXWTWQISA-N 2 1 361.486 0.831 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986841 1259771962 /nfs/dbraw/zinc/77/19/62/1259771962.db2.gz ZAEHFMWVJSBGQA-CEXWTWQISA-N 2 1 361.486 0.831 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986841 1259771967 /nfs/dbraw/zinc/77/19/67/1259771967.db2.gz ZAEHFMWVJSBGQA-CEXWTWQISA-N 2 1 361.486 0.831 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@@H]21 ZINC001335685898 1259786131 /nfs/dbraw/zinc/78/61/31/1259786131.db2.gz FYOQKGCDVROWEF-ZBFHGGJFSA-N 2 1 357.458 0.329 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001252422094 1259787223 /nfs/dbraw/zinc/78/72/23/1259787223.db2.gz QDKBPTGDWCICIB-QGZVFWFLSA-N 2 1 363.458 0.530 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C[C@@H](O)COCc1ccco1)CC2 ZINC001252634316 1259798898 /nfs/dbraw/zinc/79/88/98/1259798898.db2.gz HVZQWUGYEZYOIG-MRXNPFEDSA-N 2 1 365.474 0.834 20 0 FCADMP O=C(NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC001252943630 1259812729 /nfs/dbraw/zinc/81/27/29/1259812729.db2.gz JEQUDPYMRJPSBE-IBGZPJMESA-N 2 1 362.474 0.255 20 0 FCADMP O=C(NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC001252943630 1259812737 /nfs/dbraw/zinc/81/27/37/1259812737.db2.gz JEQUDPYMRJPSBE-IBGZPJMESA-N 2 1 362.474 0.255 20 0 FCADMP O=c1[nH]c(=O)c2c([nH]1)CCN(C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252930518 1259814448 /nfs/dbraw/zinc/81/44/48/1259814448.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 1 356.426 0.883 20 0 FCADMP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](C[C@]1(O)CCN(Cc3ccccc3)C1)C2 ZINC001252930518 1259814456 /nfs/dbraw/zinc/81/44/56/1259814456.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 1 356.426 0.883 20 0 FCADMP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](C[C@]1(O)CCN(Cc3ccccc3)C1)C2 ZINC001252930518 1259814463 /nfs/dbraw/zinc/81/44/63/1259814463.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 1 356.426 0.883 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253185983 1259829053 /nfs/dbraw/zinc/82/90/53/1259829053.db2.gz WDUSKIFITCIXJY-BRSBDYLESA-N 2 1 369.506 0.438 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253388529 1259837977 /nfs/dbraw/zinc/83/79/77/1259837977.db2.gz KNNOIQDLLZNKPB-SJORKVTESA-N 2 1 365.518 0.862 20 0 FCADMP Cn1cc([C@H]2CC(=O)NC23CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC3)cn1 ZINC001253390672 1259838790 /nfs/dbraw/zinc/83/87/90/1259838790.db2.gz RNAZXNFOSCKOII-HZPDHXFCSA-N 2 1 363.506 0.607 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253388986 1259838848 /nfs/dbraw/zinc/83/88/48/1259838848.db2.gz SDPZLOKLNBGZDF-VQHPVUNQSA-N 2 1 369.506 0.484 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452971 1259842569 /nfs/dbraw/zinc/84/25/69/1259842569.db2.gz APBRVZDQOPWDNX-BRWVUGGUSA-N 2 1 371.522 0.273 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452971 1259842575 /nfs/dbraw/zinc/84/25/75/1259842575.db2.gz APBRVZDQOPWDNX-BRWVUGGUSA-N 2 1 371.522 0.273 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]2C1 ZINC001253452971 1259842579 /nfs/dbraw/zinc/84/25/79/1259842579.db2.gz APBRVZDQOPWDNX-BRWVUGGUSA-N 2 1 371.522 0.273 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335798592 1259846234 /nfs/dbraw/zinc/84/62/34/1259846234.db2.gz DIJDXLKZRGWURR-HXUWFJFHSA-N 2 1 361.486 0.444 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335798592 1259846241 /nfs/dbraw/zinc/84/62/41/1259846241.db2.gz DIJDXLKZRGWURR-HXUWFJFHSA-N 2 1 361.486 0.444 20 0 FCADMP O=C1COC[C@@H]2C[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CCN12 ZINC001254040470 1259869402 /nfs/dbraw/zinc/86/94/02/1259869402.db2.gz UMOMVILUMGNNBY-SFHVURJKSA-N 2 1 359.470 0.557 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC001331833410 1266293278 /nfs/dbraw/zinc/29/32/78/1266293278.db2.gz HKGMNLMBEBYHCG-OKZBNKHCSA-N 2 1 356.470 0.636 20 0 FCADMP Cn1nnc2c1CCN([C@@H]1CCC[N@@H+](C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001255490550 1259916230 /nfs/dbraw/zinc/91/62/30/1259916230.db2.gz UGXIINJBSLQNOC-AEFFLSMTSA-N 2 1 362.522 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C3CCN(c4ncccn4)CC3)CC2)CC1 ZINC001256060436 1259932282 /nfs/dbraw/zinc/93/22/82/1259932282.db2.gz YPWLQHIGQQNUOM-UHFFFAOYSA-N 2 1 372.517 0.931 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+](C4CC[NH+](C)CC4)CC[C@@H]32)cn1 ZINC001256207913 1259937420 /nfs/dbraw/zinc/93/74/20/1259937420.db2.gz RNLBLNYNDSAWTD-RYQLBKOJSA-N 2 1 361.490 0.581 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001256994284 1259984859 /nfs/dbraw/zinc/98/48/59/1259984859.db2.gz UANRLEFXFBJOAX-CYBMUJFWSA-N 2 1 367.446 0.973 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001258373393 1260046766 /nfs/dbraw/zinc/04/67/66/1260046766.db2.gz HNUGBILHKQRGAM-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336256670 1260059798 /nfs/dbraw/zinc/05/97/98/1260059798.db2.gz RBLNJAOXMUEVEB-KZNAEPCWSA-N 2 1 371.485 0.559 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001261127194 1260077971 /nfs/dbraw/zinc/07/79/71/1260077971.db2.gz IPSHAWCGVVHTAB-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001261127194 1260077983 /nfs/dbraw/zinc/07/79/83/1260077983.db2.gz IPSHAWCGVVHTAB-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@H+]1C ZINC001261134351 1260081553 /nfs/dbraw/zinc/08/15/53/1260081553.db2.gz TUDKCMYJZCYHNL-DZUCGIPZSA-N 2 1 366.506 0.079 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001331949188 1266308160 /nfs/dbraw/zinc/30/81/60/1266308160.db2.gz OMHXFKFYPGSHME-LSDHHAIUSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001331949188 1266308174 /nfs/dbraw/zinc/30/81/74/1266308174.db2.gz OMHXFKFYPGSHME-LSDHHAIUSA-N 2 1 362.474 0.377 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001261492613 1260150075 /nfs/dbraw/zinc/15/00/75/1260150075.db2.gz MPFRDBGKNOBFNH-UHFFFAOYSA-N 2 1 374.485 0.633 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515739 1260153899 /nfs/dbraw/zinc/15/38/99/1260153899.db2.gz RMRTYXLGZWUMOU-ZACQAIPSSA-N 2 1 366.506 0.333 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001336793677 1260223887 /nfs/dbraw/zinc/22/38/87/1260223887.db2.gz FOFVLRYMQDXWHA-IBGZPJMESA-N 2 1 360.458 0.798 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001262059261 1260252692 /nfs/dbraw/zinc/25/26/92/1260252692.db2.gz UGGKIKBRPIMQSQ-KDOFPFPSSA-N 2 1 369.469 0.775 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC001262060525 1260253154 /nfs/dbraw/zinc/25/31/54/1260253154.db2.gz CKUYAMSDKALJEF-MSOLQXFVSA-N 2 1 374.485 0.080 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001262063964 1260254075 /nfs/dbraw/zinc/25/40/75/1260254075.db2.gz NQZFHSKTISUGRX-WCXIOVBPSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001337052300 1260295746 /nfs/dbraw/zinc/29/57/46/1260295746.db2.gz IXANJOTZAOOTBW-GJZGRUSLSA-N 2 1 364.494 0.421 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2C[NH2+]1 ZINC001263103769 1260341323 /nfs/dbraw/zinc/34/13/23/1260341323.db2.gz LIUHYCNNBZDFTK-IJEWVQPXSA-N 2 1 374.489 0.095 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2C[NH2+]1 ZINC001263103770 1260342285 /nfs/dbraw/zinc/34/22/85/1260342285.db2.gz LIUHYCNNBZDFTK-YCPHGPKFSA-N 2 1 374.489 0.095 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337338755 1260374971 /nfs/dbraw/zinc/37/49/71/1260374971.db2.gz NDBQQXGBIRXTEB-GASCZTMLSA-N 2 1 354.414 0.155 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2C)CC1 ZINC001337897207 1260513659 /nfs/dbraw/zinc/51/36/59/1260513659.db2.gz GSMLEIPXNNCSIV-ALOPSCKCSA-N 2 1 362.522 0.999 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2C)CC1 ZINC001337897207 1260513666 /nfs/dbraw/zinc/51/36/66/1260513666.db2.gz GSMLEIPXNNCSIV-ALOPSCKCSA-N 2 1 362.522 0.999 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001272868386 1260521588 /nfs/dbraw/zinc/52/15/88/1260521588.db2.gz RJVLOHHTVSRVMZ-IBGZPJMESA-N 2 1 360.506 0.472 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001272868386 1260521591 /nfs/dbraw/zinc/52/15/91/1260521591.db2.gz RJVLOHHTVSRVMZ-IBGZPJMESA-N 2 1 360.506 0.472 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216635 1260626534 /nfs/dbraw/zinc/62/65/34/1260626534.db2.gz ISEIHNTZGYOXQV-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216635 1260626543 /nfs/dbraw/zinc/62/65/43/1260626543.db2.gz ISEIHNTZGYOXQV-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216635 1260626550 /nfs/dbraw/zinc/62/65/50/1260626550.db2.gz ISEIHNTZGYOXQV-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216635 1260626558 /nfs/dbraw/zinc/62/65/58/1260626558.db2.gz ISEIHNTZGYOXQV-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CC[NH+](CCn4ccnc4)C3)CC2)C1 ZINC001273216167 1260626844 /nfs/dbraw/zinc/62/68/44/1260626844.db2.gz DYRLMESXFPJQCT-KRWDZBQOSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC3(CC[NH+](CCn4ccnc4)C3)CC2)C1 ZINC001273216167 1260626850 /nfs/dbraw/zinc/62/68/50/1260626850.db2.gz DYRLMESXFPJQCT-KRWDZBQOSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)C1 ZINC001273216167 1260626855 /nfs/dbraw/zinc/62/68/55/1260626855.db2.gz DYRLMESXFPJQCT-KRWDZBQOSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)C1 ZINC001273216167 1260626859 /nfs/dbraw/zinc/62/68/59/1260626859.db2.gz DYRLMESXFPJQCT-KRWDZBQOSA-N 2 1 361.490 0.528 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249680 1260634664 /nfs/dbraw/zinc/63/46/64/1260634664.db2.gz YVUMYGVVVBIGBD-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)[C@H]4CCC[N@@H+](C)C4)(C2)C3)CC1 ZINC001273272353 1260643500 /nfs/dbraw/zinc/64/35/00/1260643500.db2.gz HFLMKYRAWWEPJE-VMEOHVCESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001273272744 1260645815 /nfs/dbraw/zinc/64/58/15/1260645815.db2.gz MQPBDWAHRSXRFO-YRNRMSPPSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273273777 1260647622 /nfs/dbraw/zinc/64/76/22/1260647622.db2.gz ZJBFQIAQYHPMKD-SQGPQFPESA-N 2 1 364.534 0.977 20 0 FCADMP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cc(C)nn3C)C[C@H]12 ZINC001278272035 1260688444 /nfs/dbraw/zinc/68/84/44/1260688444.db2.gz DMHJMYFUUBKVIF-IAGOWNOFSA-N 2 1 361.490 0.387 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccncc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001278463709 1260695050 /nfs/dbraw/zinc/69/50/50/1260695050.db2.gz LTGKJRQPHWZVDU-LJQANCHMSA-N 2 1 361.490 0.505 20 0 FCADMP O=C1CC[C@H](C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472465 1260695872 /nfs/dbraw/zinc/69/58/72/1260695872.db2.gz NMLVXHUGTDMRJB-PVAVHDDUSA-N 2 1 360.502 0.720 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@@H]2C1 ZINC001278509231 1260702838 /nfs/dbraw/zinc/70/28/38/1260702838.db2.gz SMENNNKQLXZAMO-IAGOWNOFSA-N 2 1 363.458 0.913 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)c(OC)n1 ZINC001279157613 1260794674 /nfs/dbraw/zinc/79/46/74/1260794674.db2.gz COMIUEDEHIKGKS-HUUCEWRRSA-N 2 1 360.458 0.741 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)c(OC)n1 ZINC001279157613 1260794682 /nfs/dbraw/zinc/79/46/82/1260794682.db2.gz COMIUEDEHIKGKS-HUUCEWRRSA-N 2 1 360.458 0.741 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccnnc4)CC3)[C@H]2C1 ZINC001279176480 1260798887 /nfs/dbraw/zinc/79/88/87/1260798887.db2.gz KJOJHAMAWBGCKB-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccnnc4)CC3)[C@H]2C1 ZINC001279176480 1260798892 /nfs/dbraw/zinc/79/88/92/1260798892.db2.gz KJOJHAMAWBGCKB-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOCC1)C2 ZINC001279247216 1260811756 /nfs/dbraw/zinc/81/17/56/1260811756.db2.gz RMTWHLKIGAVNGK-GBESFXJTSA-N 2 1 362.518 0.336 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOCC1)C2 ZINC001279247216 1260811761 /nfs/dbraw/zinc/81/17/61/1260811761.db2.gz RMTWHLKIGAVNGK-GBESFXJTSA-N 2 1 362.518 0.336 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502453 1260881561 /nfs/dbraw/zinc/88/15/61/1260881561.db2.gz RFACBYSCYZNYAY-YESZJQIVSA-N 2 1 360.506 0.941 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001279502453 1260881567 /nfs/dbraw/zinc/88/15/67/1260881567.db2.gz RFACBYSCYZNYAY-YESZJQIVSA-N 2 1 360.506 0.941 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001279502453 1260881570 /nfs/dbraw/zinc/88/15/70/1260881570.db2.gz RFACBYSCYZNYAY-YESZJQIVSA-N 2 1 360.506 0.941 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001279619421 1260901555 /nfs/dbraw/zinc/90/15/55/1260901555.db2.gz BJCWGJODYDWPOS-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP Cn1ncnc1C(=O)N1[C@H]2COC[C@@H]1C[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001279621483 1260902582 /nfs/dbraw/zinc/90/25/82/1260902582.db2.gz UJAQBUKKZIIATA-IYBDPMFKSA-N 2 1 362.478 0.072 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(-n4ccnn4)cc3)C[C@H]21 ZINC001279662870 1260909817 /nfs/dbraw/zinc/90/98/17/1260909817.db2.gz WXXZXZNBVXENSQ-MOPGFXCFSA-N 2 1 356.474 0.714 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@@H](C)C(=O)OC)C[C@H]12 ZINC001280025618 1260980708 /nfs/dbraw/zinc/98/07/08/1260980708.db2.gz GCMHXLBWFUQSOA-QLFBSQMISA-N 2 1 368.478 0.282 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001280081907 1260994309 /nfs/dbraw/zinc/99/43/09/1260994309.db2.gz ZAYLDFCBRQTTGP-SQGPQFPESA-N 2 1 362.518 0.777 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4c[nH+]cn4C)CC3)[C@H]2C1 ZINC001280121184 1261008946 /nfs/dbraw/zinc/00/89/46/1261008946.db2.gz WHJRVHOTEWAEQM-GJZGRUSLSA-N 2 1 363.462 0.057 20 0 FCADMP Cn1nccc1CNC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]12 ZINC001280126227 1261010477 /nfs/dbraw/zinc/01/04/77/1261010477.db2.gz UBWUDVLWIMBHBT-JKSUJKDBSA-N 2 1 360.462 0.065 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)CC1 ZINC001280124981 1261011115 /nfs/dbraw/zinc/01/11/15/1261011115.db2.gz CGSJAKBFBFOJPD-NJAFHUGGSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCc4cnc[nH]4)O[C@H]3C2)CC1 ZINC001280124981 1261011118 /nfs/dbraw/zinc/01/11/18/1261011118.db2.gz CGSJAKBFBFOJPD-NJAFHUGGSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCc4cnc[nH]4)O[C@H]3C2)CC1 ZINC001280124981 1261011124 /nfs/dbraw/zinc/01/11/24/1261011124.db2.gz CGSJAKBFBFOJPD-NJAFHUGGSA-N 2 1 361.490 0.847 20 0 FCADMP COCCN(C)C(=O)c1nnc2n1CC[N@H+](CC1CC[NH2+]CC1)[C@H](C)C2 ZINC001280134693 1261013283 /nfs/dbraw/zinc/01/32/83/1261013283.db2.gz FJJSSAOEWPQWIM-CQSZACIVSA-N 2 1 364.494 0.243 20 0 FCADMP CN(C)C(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@]12c1ccccc1NC2=O ZINC001280138375 1261014727 /nfs/dbraw/zinc/01/47/27/1261014727.db2.gz XHHGFTUUEIZORI-UZLBHIALSA-N 2 1 356.470 0.896 20 0 FCADMP CC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280169758 1261019627 /nfs/dbraw/zinc/01/96/27/1261019627.db2.gz KGGBYERHSYSDLN-CEXWTWQISA-N 2 1 362.518 0.777 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001332331109 1266378877 /nfs/dbraw/zinc/37/88/77/1266378877.db2.gz IGEDNRQTFWBKEP-WNRNVDISSA-N 2 1 356.470 0.573 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280211035 1261033770 /nfs/dbraw/zinc/03/37/70/1261033770.db2.gz MAZUSAZQCNSYFO-SQNIBIBYSA-N 2 1 365.518 0.960 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)O1 ZINC001280211578 1261033834 /nfs/dbraw/zinc/03/38/34/1261033834.db2.gz XEIDPQVIRXTDBW-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280216446 1261036428 /nfs/dbraw/zinc/03/64/28/1261036428.db2.gz SVEPGAWDJKJHRS-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC[C@@]12CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255142 1261041834 /nfs/dbraw/zinc/04/18/34/1261041834.db2.gz FBGXTBCERNQJGV-DAYGRLMNSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280255142 1261041840 /nfs/dbraw/zinc/04/18/40/1261041840.db2.gz FBGXTBCERNQJGV-DAYGRLMNSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280255142 1261041843 /nfs/dbraw/zinc/04/18/43/1261041843.db2.gz FBGXTBCERNQJGV-DAYGRLMNSA-N 2 1 361.494 0.983 20 0 FCADMP CC[N@H+]1C[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2cn(C)cn2)C1 ZINC001280260502 1261043683 /nfs/dbraw/zinc/04/36/83/1261043683.db2.gz UQAHQYWOPWFNJY-HZPDHXFCSA-N 2 1 359.478 0.852 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001281839534 1261223370 /nfs/dbraw/zinc/22/33/70/1261223370.db2.gz JBTXETADWDVTBG-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCOC(=O)N1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001473995351 1261503542 /nfs/dbraw/zinc/50/35/42/1261503542.db2.gz HDUVKDUCLSWZOG-QGZVFWFLSA-N 2 1 354.495 0.603 20 0 FCADMP COC[C@@H](O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1 ZINC001285005058 1261801074 /nfs/dbraw/zinc/80/10/74/1261801074.db2.gz PJKKIDZOKDNQCL-XOKHGSTOSA-N 2 1 367.465 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580321766 1278122977 /nfs/dbraw/zinc/12/29/77/1278122977.db2.gz IAWJTPOBMKWDER-UKPHBRMFSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580324039 1278124836 /nfs/dbraw/zinc/12/48/36/1278124836.db2.gz ATUZNMGHGRNISI-DVOMOZLQSA-N 2 1 370.461 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001289647902 1262288096 /nfs/dbraw/zinc/28/80/96/1262288096.db2.gz TTXLECFTNKECJG-SJORKVTESA-N 2 1 368.522 0.282 20 0 FCADMP Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290873473 1262525398 /nfs/dbraw/zinc/52/53/98/1262525398.db2.gz FFNLAOCZQQHOPX-GOSISDBHSA-N 2 1 362.522 0.965 20 0 FCADMP Cc1ncccc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479931359 1263417043 /nfs/dbraw/zinc/41/70/43/1263417043.db2.gz XLMODHHPAPYQDC-IEBWSBKVSA-N 2 1 359.518 0.964 20 0 FCADMP Cc1ncccc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479931359 1263417049 /nfs/dbraw/zinc/41/70/49/1263417049.db2.gz XLMODHHPAPYQDC-IEBWSBKVSA-N 2 1 359.518 0.964 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnn(C)n1 ZINC001480792558 1263436709 /nfs/dbraw/zinc/43/67/09/1263436709.db2.gz LWTLZPCCVRWRGV-UAGQMJEPSA-N 2 1 371.489 0.540 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnn(C)n1 ZINC001480792558 1263436715 /nfs/dbraw/zinc/43/67/15/1263436715.db2.gz LWTLZPCCVRWRGV-UAGQMJEPSA-N 2 1 371.489 0.540 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCNC(=O)CC3)CCC2)CC[N@H+]1C ZINC001484633978 1263480762 /nfs/dbraw/zinc/48/07/62/1263480762.db2.gz BYYVXXHPNNMWIF-OWCLPIDISA-N 2 1 350.507 0.871 20 0 FCADMP CC[N@H+](CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001485031534 1263496809 /nfs/dbraw/zinc/49/68/09/1263496809.db2.gz QBIPXQFTQRMSIO-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485031534 1263496813 /nfs/dbraw/zinc/49/68/13/1263496813.db2.gz QBIPXQFTQRMSIO-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485031534 1263496818 /nfs/dbraw/zinc/49/68/18/1263496818.db2.gz QBIPXQFTQRMSIO-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385332 1278201716 /nfs/dbraw/zinc/20/17/16/1278201716.db2.gz DTSYZFNDSFIPPZ-HZSPNIEDSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385332 1278201722 /nfs/dbraw/zinc/20/17/22/1278201722.db2.gz DTSYZFNDSFIPPZ-HZSPNIEDSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001580385248 1278203418 /nfs/dbraw/zinc/20/34/18/1278203418.db2.gz ADCQYNXPWQAKHG-CHWSQXEVSA-N 2 1 358.450 0.497 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC001318857178 1263617100 /nfs/dbraw/zinc/61/71/00/1263617100.db2.gz ALAMPMYUQANPKC-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580387931 1278208982 /nfs/dbraw/zinc/20/89/82/1278208982.db2.gz HZGDXHFLTPHWAD-MGPQQGTHSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580387931 1278208987 /nfs/dbraw/zinc/20/89/87/1278208987.db2.gz HZGDXHFLTPHWAD-MGPQQGTHSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC001492257325 1263646324 /nfs/dbraw/zinc/64/63/24/1263646324.db2.gz PKFHOOPZGXRDST-TZMCWYRMSA-N 2 1 363.487 0.644 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@H+]1C ZINC001492257325 1263646331 /nfs/dbraw/zinc/64/63/31/1263646331.db2.gz PKFHOOPZGXRDST-TZMCWYRMSA-N 2 1 363.487 0.644 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1C ZINC001492257325 1263646338 /nfs/dbraw/zinc/64/63/38/1263646338.db2.gz PKFHOOPZGXRDST-TZMCWYRMSA-N 2 1 363.487 0.644 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1C ZINC001492257325 1263646345 /nfs/dbraw/zinc/64/63/45/1263646345.db2.gz PKFHOOPZGXRDST-TZMCWYRMSA-N 2 1 363.487 0.644 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957620 1263686685 /nfs/dbraw/zinc/68/66/85/1263686685.db2.gz YPOGSCGEKPMIGK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957620 1263686692 /nfs/dbraw/zinc/68/66/92/1263686692.db2.gz YPOGSCGEKPMIGK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957620 1263686698 /nfs/dbraw/zinc/68/66/98/1263686698.db2.gz YPOGSCGEKPMIGK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957620 1263686708 /nfs/dbraw/zinc/68/67/08/1263686708.db2.gz YPOGSCGEKPMIGK-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)[C@@H](c2ccccc2)C1 ZINC001495943810 1263846616 /nfs/dbraw/zinc/84/66/16/1263846616.db2.gz VFSNWCWULAMYHV-SJORKVTESA-N 2 1 358.486 0.836 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001497088690 1263915764 /nfs/dbraw/zinc/91/57/64/1263915764.db2.gz NCXDOIFAXOSFHR-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001497262111 1263921444 /nfs/dbraw/zinc/92/14/44/1263921444.db2.gz PRDMQTFKTBCSRB-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001497262111 1263921448 /nfs/dbraw/zinc/92/14/48/1263921448.db2.gz PRDMQTFKTBCSRB-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497262111 1263921454 /nfs/dbraw/zinc/92/14/54/1263921454.db2.gz PRDMQTFKTBCSRB-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497262111 1263921460 /nfs/dbraw/zinc/92/14/60/1263921460.db2.gz PRDMQTFKTBCSRB-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C[NH+](C)Cc3ccccc3)C2)CC[N@@H+]1C ZINC001498267122 1263969014 /nfs/dbraw/zinc/96/90/14/1263969014.db2.gz TTZXFFNBMQDSNX-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C[NH+](C)Cc3ccccc3)C2)CC[N@H+]1C ZINC001498267122 1263969021 /nfs/dbraw/zinc/96/90/21/1263969021.db2.gz TTZXFFNBMQDSNX-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C[N@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC001498267122 1263969027 /nfs/dbraw/zinc/96/90/27/1263969027.db2.gz TTZXFFNBMQDSNX-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C[N@@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC001498267122 1263969031 /nfs/dbraw/zinc/96/90/31/1263969031.db2.gz TTZXFFNBMQDSNX-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219303 1264111990 /nfs/dbraw/zinc/11/19/90/1264111990.db2.gz GVJOQZCAWFGFLM-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219303 1264111995 /nfs/dbraw/zinc/11/19/95/1264111995.db2.gz GVJOQZCAWFGFLM-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219303 1264112002 /nfs/dbraw/zinc/11/20/02/1264112002.db2.gz GVJOQZCAWFGFLM-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001501952299 1264156906 /nfs/dbraw/zinc/15/69/06/1264156906.db2.gz MMZZGDCCTZKICF-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP COCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001322725606 1264250572 /nfs/dbraw/zinc/25/05/72/1264250572.db2.gz VSDKSPPAFJAZCJ-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP COCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC001322725606 1264250578 /nfs/dbraw/zinc/25/05/78/1264250578.db2.gz VSDKSPPAFJAZCJ-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580400593 1278225840 /nfs/dbraw/zinc/22/58/40/1278225840.db2.gz GMGZQCOZYOPCFB-NEPJUHHUSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322958159 1264301741 /nfs/dbraw/zinc/30/17/41/1264301741.db2.gz OQLGDSYQCBKQGC-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322958159 1264301750 /nfs/dbraw/zinc/30/17/50/1264301750.db2.gz OQLGDSYQCBKQGC-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(=O)NC)n1 ZINC001323918286 1264541203 /nfs/dbraw/zinc/54/12/03/1264541203.db2.gz WAJSLTMBATUTJM-OAHLLOKOSA-N 2 1 361.490 0.929 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(=O)NC)n1 ZINC001323918285 1264541409 /nfs/dbraw/zinc/54/14/09/1264541409.db2.gz WAJSLTMBATUTJM-HNNXBMFYSA-N 2 1 361.490 0.929 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001325372145 1264863443 /nfs/dbraw/zinc/86/34/43/1264863443.db2.gz NNRSTGAGDYRVBK-HNNXBMFYSA-N 2 1 361.490 0.871 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001326036686 1265049838 /nfs/dbraw/zinc/04/98/38/1265049838.db2.gz TWUVOPIBOZBWGO-RCCFBDPRSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001580407081 1278245056 /nfs/dbraw/zinc/24/50/56/1278245056.db2.gz GFYZMMFGWNUXNX-CYBMUJFWSA-N 2 1 357.462 0.945 20 0 FCADMP COC(=O)[C@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039605 1266527424 /nfs/dbraw/zinc/52/74/24/1266527424.db2.gz XCYINBYPBFUGRH-QUCCMNQESA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@H]1CN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+](C)C1 ZINC001333039605 1266527429 /nfs/dbraw/zinc/52/74/29/1266527429.db2.gz XCYINBYPBFUGRH-QUCCMNQESA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@H]1CN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C)C1 ZINC001333039605 1266527433 /nfs/dbraw/zinc/52/74/33/1266527433.db2.gz XCYINBYPBFUGRH-QUCCMNQESA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)c1ncoc1CCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001333681993 1266674578 /nfs/dbraw/zinc/67/45/78/1266674578.db2.gz FJEFTQSOHXVYNE-ZDUSSCGKSA-N 2 1 364.446 0.679 20 0 FCADMP COC(=O)c1ncoc1CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333681993 1266674589 /nfs/dbraw/zinc/67/45/89/1266674589.db2.gz FJEFTQSOHXVYNE-ZDUSSCGKSA-N 2 1 364.446 0.679 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006129 1266774551 /nfs/dbraw/zinc/77/45/51/1266774551.db2.gz SNBAOXIKCLOLFB-QAETUUGQSA-N 2 1 350.507 0.953 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC001334179408 1266868724 /nfs/dbraw/zinc/86/87/24/1266868724.db2.gz MSUPMEFBFLHDQF-IRXDYDNUSA-N 2 1 357.458 0.330 20 0 FCADMP CN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001334241551 1266906146 /nfs/dbraw/zinc/90/61/46/1266906146.db2.gz OEYLPLDTQJFDCQ-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC001335190877 1267396407 /nfs/dbraw/zinc/39/64/07/1267396407.db2.gz WDLQEMHWUFZTEX-LZLYRXPVSA-N 2 1 369.506 0.123 20 0 FCADMP Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[NH+](C)C ZINC001543292977 1267539387 /nfs/dbraw/zinc/53/93/87/1267539387.db2.gz INUIWETZVJJESH-HNNXBMFYSA-N 2 1 360.510 0.982 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001548368839 1267689504 /nfs/dbraw/zinc/68/95/04/1267689504.db2.gz KOIZXJNBOOOTFT-NVXWUHKLSA-N 2 1 357.462 0.582 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001548489077 1267727101 /nfs/dbraw/zinc/72/71/01/1267727101.db2.gz YARGQAFQMRUNBB-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001548489077 1267727105 /nfs/dbraw/zinc/72/71/05/1267727105.db2.gz YARGQAFQMRUNBB-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114109 1267814172 /nfs/dbraw/zinc/81/41/72/1267814172.db2.gz BHFWGFNJDGYHAF-QFBILLFUSA-N 2 1 358.490 0.576 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC001338348201 1267914911 /nfs/dbraw/zinc/91/49/11/1267914911.db2.gz XJUYPZIBQBIKCW-MRXNPFEDSA-N 2 1 373.501 0.976 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)[NH+]1CCOCC1 ZINC001549733810 1267980973 /nfs/dbraw/zinc/98/09/73/1267980973.db2.gz BQXBEHVRCLBXTM-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)Nc3c[nH]nc3[C@@H]3CC[NH2+]C3)ccn2)CC1 ZINC001549732487 1267981684 /nfs/dbraw/zinc/98/16/84/1267981684.db2.gz UTFWGYMKNIKDDX-CQSZACIVSA-N 2 1 355.446 0.886 20 0 FCADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2cnn3c2C[NH2+]CC3)C1 ZINC001549745554 1267986158 /nfs/dbraw/zinc/98/61/58/1267986158.db2.gz JNVZHPVFCQIKLT-HOTGVXAUSA-N 2 1 362.478 0.381 20 0 FCADMP c1nn2c(c1C[N@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CNCC2 ZINC001549754966 1267989140 /nfs/dbraw/zinc/98/91/40/1267989140.db2.gz XPEIJHGLELTPOA-HNNXBMFYSA-N 2 1 370.505 0.499 20 0 FCADMP c1nn2c(c1C[N@@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)C[NH2+]CC2 ZINC001549754966 1267989150 /nfs/dbraw/zinc/98/91/50/1267989150.db2.gz XPEIJHGLELTPOA-HNNXBMFYSA-N 3 1 370.505 0.499 20 0 FCADMP c1nn2c(c1C[N@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)C[NH2+]CC2 ZINC001549754966 1267989162 /nfs/dbraw/zinc/98/91/62/1267989162.db2.gz XPEIJHGLELTPOA-HNNXBMFYSA-N 3 1 370.505 0.499 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)n1 ZINC001549762228 1267993469 /nfs/dbraw/zinc/99/34/69/1267993469.db2.gz KXVGCDHKOKFNBN-VQIMIIECSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)n1 ZINC001549762228 1267993474 /nfs/dbraw/zinc/99/34/74/1267993474.db2.gz KXVGCDHKOKFNBN-VQIMIIECSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC001549762228 1267993477 /nfs/dbraw/zinc/99/34/77/1267993477.db2.gz KXVGCDHKOKFNBN-VQIMIIECSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC001549762228 1267993481 /nfs/dbraw/zinc/99/34/81/1267993481.db2.gz KXVGCDHKOKFNBN-VQIMIIECSA-N 2 1 361.490 0.545 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001550005347 1268046106 /nfs/dbraw/zinc/04/61/06/1268046106.db2.gz NPPWGJWDQUPHQQ-IKGGRYGDSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001550005347 1268046110 /nfs/dbraw/zinc/04/61/10/1268046110.db2.gz NPPWGJWDQUPHQQ-IKGGRYGDSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001550005347 1268046121 /nfs/dbraw/zinc/04/61/21/1268046121.db2.gz NPPWGJWDQUPHQQ-IKGGRYGDSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001550005347 1268046127 /nfs/dbraw/zinc/04/61/27/1268046127.db2.gz NPPWGJWDQUPHQQ-IKGGRYGDSA-N 2 1 361.490 0.950 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CCC[N@@H+](CCO)C3)cn2)CC1 ZINC001550040872 1268061766 /nfs/dbraw/zinc/06/17/66/1268061766.db2.gz LUQCUUJDPZCGSS-CQSZACIVSA-N 2 1 350.467 0.728 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2C[C@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC001550366230 1268108471 /nfs/dbraw/zinc/10/84/71/1268108471.db2.gz ORSDWBYVCXIXKM-BFYDXBDKSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2C[C@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC001550366230 1268108474 /nfs/dbraw/zinc/10/84/74/1268108474.db2.gz ORSDWBYVCXIXKM-BFYDXBDKSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC001550366230 1268108478 /nfs/dbraw/zinc/10/84/78/1268108478.db2.gz ORSDWBYVCXIXKM-BFYDXBDKSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC001550366230 1268108482 /nfs/dbraw/zinc/10/84/82/1268108482.db2.gz ORSDWBYVCXIXKM-BFYDXBDKSA-N 2 1 361.490 0.665 20 0 FCADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)[C@@H](O)C2 ZINC001550480923 1268125607 /nfs/dbraw/zinc/12/56/07/1268125607.db2.gz VAULERSZFAFKDS-ILYVXUQDSA-N 2 1 353.507 0.551 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001339010075 1268148527 /nfs/dbraw/zinc/14/85/27/1268148527.db2.gz FHLAPQNDYKJMEF-UHFFFAOYSA-N 2 1 364.490 0.733 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550697334 1268153485 /nfs/dbraw/zinc/15/34/85/1268153485.db2.gz LXRYMMNZEZXWHQ-NEPXVJNWSA-N 2 1 352.523 0.220 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)CN3CC[NH+](C)CC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550697334 1268153488 /nfs/dbraw/zinc/15/34/88/1268153488.db2.gz LXRYMMNZEZXWHQ-NEPXVJNWSA-N 2 1 352.523 0.220 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550725087 1268155527 /nfs/dbraw/zinc/15/55/27/1268155527.db2.gz YYJSVBBREHZILA-FZMWSMFESA-N 2 1 361.490 0.781 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@@H]3CC[NH2+]C3)C[C@@]2(C)C1 ZINC001550753962 1268162522 /nfs/dbraw/zinc/16/25/22/1268162522.db2.gz HTBRGFRSALNNNP-GPMSIDNRSA-N 2 1 359.474 0.915 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC001550759421 1268164571 /nfs/dbraw/zinc/16/45/71/1268164571.db2.gz BYVIDFCSKUIMHM-BRWVUGGUSA-N 2 1 366.506 0.507 20 0 FCADMP Cn1nc([C@H]2C[C@@H](O)[C@H](C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)n(C)c1=O ZINC001551223537 1268216214 /nfs/dbraw/zinc/21/62/14/1268216214.db2.gz NHKMDLOMWMNIRD-CBBWQLFWSA-N 2 1 351.495 0.436 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551466347 1268257251 /nfs/dbraw/zinc/25/72/51/1268257251.db2.gz WBJJHEYLNRMIDI-HZPDHXFCSA-N 2 1 354.495 0.507 20 0 FCADMP COCC[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551466347 1268257255 /nfs/dbraw/zinc/25/72/55/1268257255.db2.gz WBJJHEYLNRMIDI-HZPDHXFCSA-N 2 1 354.495 0.507 20 0 FCADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492917 1268261352 /nfs/dbraw/zinc/26/13/52/1268261352.db2.gz YWHILBQXCROBIN-GTACMHHNSA-N 2 1 360.458 0.607 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551516171 1268262864 /nfs/dbraw/zinc/26/28/64/1268262864.db2.gz FDTDLFJGCRAILA-AEFFLSMTSA-N 2 1 359.474 0.463 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@@H]1C ZINC001551546889 1268264925 /nfs/dbraw/zinc/26/49/25/1268264925.db2.gz VWIBUCULNFXMEU-JURCDPSOSA-N 2 1 364.412 0.625 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CC1 ZINC001551551515 1268265569 /nfs/dbraw/zinc/26/55/69/1268265569.db2.gz QGPLTPITWVKDCL-UBHSHLNASA-N 2 1 350.385 0.236 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C[C@@]2(C)C1 ZINC001551553023 1268265689 /nfs/dbraw/zinc/26/56/89/1268265689.db2.gz GNOMAVOHTKQSDD-FXRXJOCMSA-N 2 1 363.506 0.226 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557270 1268268329 /nfs/dbraw/zinc/26/83/29/1268268329.db2.gz UUHMJVMAYNFRFP-RDJZCZTQSA-N 2 1 365.522 0.759 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551578099 1268276466 /nfs/dbraw/zinc/27/64/66/1268276466.db2.gz LZOGMFJJQRULJH-VYDXJSESSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551581408 1268277686 /nfs/dbraw/zinc/27/76/86/1268277686.db2.gz QXTSLMIPQPOKNR-ZOBUZTSGSA-N 2 1 351.495 0.369 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939479 1268316529 /nfs/dbraw/zinc/31/65/29/1268316529.db2.gz MVIUDVCQTAJWDK-HUUCEWRRSA-N 2 1 362.478 0.501 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@H]4COC5)n3)cn2)CC1 ZINC001552176013 1268403189 /nfs/dbraw/zinc/40/31/89/1268403189.db2.gz JEUCCSOZBPOXJT-KBXCAEBGSA-N 2 1 356.430 0.371 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)nn1 ZINC001552179593 1268404038 /nfs/dbraw/zinc/40/40/38/1268404038.db2.gz LPNQPXULWYSVAV-BSWAZPDLSA-N 2 1 362.478 0.065 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552185479 1268404975 /nfs/dbraw/zinc/40/49/75/1268404975.db2.gz BCXSFPBLAUKLGQ-RDTXWAMCSA-N 2 1 351.495 0.309 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC001552201663 1268408152 /nfs/dbraw/zinc/40/81/52/1268408152.db2.gz RHXMXVHPMOVBQN-GQIGUUNPSA-N 2 1 372.469 0.558 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)c1 ZINC001552200675 1268408193 /nfs/dbraw/zinc/40/81/93/1268408193.db2.gz UGJFAELOBFPYRQ-ALKREAHSSA-N 2 1 358.442 0.311 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)c1 ZINC001552200675 1268408196 /nfs/dbraw/zinc/40/81/96/1268408196.db2.gz UGJFAELOBFPYRQ-ALKREAHSSA-N 2 1 358.442 0.311 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001552210549 1268411086 /nfs/dbraw/zinc/41/10/86/1268411086.db2.gz DZOARXXRRVZOQR-NNXQTKTDSA-N 2 1 363.506 0.645 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001552210549 1268411088 /nfs/dbraw/zinc/41/10/88/1268411088.db2.gz DZOARXXRRVZOQR-NNXQTKTDSA-N 2 1 363.506 0.645 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001340075656 1268427650 /nfs/dbraw/zinc/42/76/50/1268427650.db2.gz OWIBYIXPAVLJNB-RCCFBDPRSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001340106350 1268437887 /nfs/dbraw/zinc/43/78/87/1268437887.db2.gz SBJRZFBBBZBGQS-QRFRQXIXSA-N 2 1 361.486 0.897 20 0 FCADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001340106350 1268437893 /nfs/dbraw/zinc/43/78/93/1268437893.db2.gz SBJRZFBBBZBGQS-QRFRQXIXSA-N 2 1 361.486 0.897 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001340146809 1268449426 /nfs/dbraw/zinc/44/94/26/1268449426.db2.gz CLXFKPSRPDHZOD-TZMCWYRMSA-N 2 1 359.396 0.706 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2CNC(=O)[C@H]2CCCC[NH2+]C2)cc[nH+]1 ZINC001552429444 1268461383 /nfs/dbraw/zinc/46/13/83/1268461383.db2.gz VUAKFPBBRMGQPC-ZNMIVQPWSA-N 2 1 364.469 0.965 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2C[NH2+]1 ZINC001340181597 1268462202 /nfs/dbraw/zinc/46/22/02/1268462202.db2.gz HWXKLULQUFGYLB-OAHLLOKOSA-N 3 1 350.511 0.720 20 0 FCADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435281 1268462445 /nfs/dbraw/zinc/46/24/45/1268462445.db2.gz CXTVTEHMIDXUIX-HOCLYGCPSA-N 2 1 361.494 0.019 20 0 FCADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435281 1268462449 /nfs/dbraw/zinc/46/24/49/1268462449.db2.gz CXTVTEHMIDXUIX-HOCLYGCPSA-N 2 1 361.494 0.019 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1n1ccnn1 ZINC001552607391 1268490869 /nfs/dbraw/zinc/49/08/69/1268490869.db2.gz ZKSNHQBSXXYKBN-RRFJBIMHSA-N 2 1 358.450 0.234 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)C1 ZINC001552706041 1268525925 /nfs/dbraw/zinc/52/59/25/1268525925.db2.gz BWBACXRZCKPMBU-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)C1 ZINC001552706041 1268525933 /nfs/dbraw/zinc/52/59/33/1268525933.db2.gz BWBACXRZCKPMBU-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001552706041 1268525942 /nfs/dbraw/zinc/52/59/42/1268525942.db2.gz BWBACXRZCKPMBU-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001552706041 1268525949 /nfs/dbraw/zinc/52/59/49/1268525949.db2.gz BWBACXRZCKPMBU-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708855 1268527335 /nfs/dbraw/zinc/52/73/35/1268527335.db2.gz KRWJOEVMTRPYKH-DJIMGWMZSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708855 1268527345 /nfs/dbraw/zinc/52/73/45/1268527345.db2.gz KRWJOEVMTRPYKH-DJIMGWMZSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC001552708855 1268527353 /nfs/dbraw/zinc/52/73/53/1268527353.db2.gz KRWJOEVMTRPYKH-DJIMGWMZSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC001552708855 1268527362 /nfs/dbraw/zinc/52/73/62/1268527362.db2.gz KRWJOEVMTRPYKH-DJIMGWMZSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552724124 1268536290 /nfs/dbraw/zinc/53/62/90/1268536290.db2.gz YRTIFIMFQNRHFY-WMLDXEAASA-N 2 1 363.506 0.789 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552724124 1268536295 /nfs/dbraw/zinc/53/62/95/1268536295.db2.gz YRTIFIMFQNRHFY-WMLDXEAASA-N 2 1 363.506 0.789 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001552799321 1268550371 /nfs/dbraw/zinc/55/03/71/1268550371.db2.gz ZNWYLNDQFBKJFC-BSDSXHPESA-N 2 1 367.538 0.515 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC001552799321 1268550375 /nfs/dbraw/zinc/55/03/75/1268550375.db2.gz ZNWYLNDQFBKJFC-BSDSXHPESA-N 2 1 367.538 0.515 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001552799321 1268550379 /nfs/dbraw/zinc/55/03/79/1268550379.db2.gz ZNWYLNDQFBKJFC-BSDSXHPESA-N 2 1 367.538 0.515 20 0 FCADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001340637294 1268612027 /nfs/dbraw/zinc/61/20/27/1268612027.db2.gz RKDCQQFBFSSRSI-CHWSQXEVSA-N 2 1 355.401 0.316 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3C[N@H+](C)CC4)CC2)cs1 ZINC001553348605 1268634399 /nfs/dbraw/zinc/63/43/99/1268634399.db2.gz OQSPLIOSGOBBCE-CRAIPNDOSA-N 2 1 363.531 0.637 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3C[N@@H+](C)CC4)CC2)cs1 ZINC001553348605 1268634408 /nfs/dbraw/zinc/63/44/08/1268634408.db2.gz OQSPLIOSGOBBCE-CRAIPNDOSA-N 2 1 363.531 0.637 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@@H]2C1 ZINC001553383560 1268640905 /nfs/dbraw/zinc/64/09/05/1268640905.db2.gz QMTBNVFYVXHHMP-RDTXWAMCSA-N 2 1 364.877 0.727 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553389032 1268641944 /nfs/dbraw/zinc/64/19/44/1268641944.db2.gz ICMGRXKNPSDPQB-MGPUTAFESA-N 2 1 370.453 0.815 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553388043 1268642853 /nfs/dbraw/zinc/64/28/53/1268642853.db2.gz DGYJKWOHBMPVPJ-LIRRHRJNSA-N 2 1 371.441 0.218 20 0 FCADMP CN(C)C(=O)COc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553389568 1268643043 /nfs/dbraw/zinc/64/30/43/1268643043.db2.gz MYFSQNRHPARKHK-OXJNMPFZSA-N 2 1 374.485 0.311 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415278 1268646823 /nfs/dbraw/zinc/64/68/23/1268646823.db2.gz SOGFPNUMMNAEHP-FLXSYLCISA-N 2 1 350.507 0.523 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553415188 1268647082 /nfs/dbraw/zinc/64/70/82/1268647082.db2.gz YXJGZQXVMLUFJU-CEXWTWQISA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C[C@H](C)O1 ZINC001553426324 1268648182 /nfs/dbraw/zinc/64/81/82/1268648182.db2.gz YDBHAJLVYQLSLW-OWCLPIDISA-N 2 1 368.522 0.942 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C[C@H](C)O1 ZINC001553426324 1268648186 /nfs/dbraw/zinc/64/81/86/1268648186.db2.gz YDBHAJLVYQLSLW-OWCLPIDISA-N 2 1 368.522 0.942 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC001553449728 1268652176 /nfs/dbraw/zinc/65/21/76/1268652176.db2.gz NPQDONXWNBQBOG-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450231 1268653534 /nfs/dbraw/zinc/65/35/34/1268653534.db2.gz ITFIGLJHLBAEOG-DOTOQJQBSA-N 2 1 365.522 0.223 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450231 1268653539 /nfs/dbraw/zinc/65/35/39/1268653539.db2.gz ITFIGLJHLBAEOG-DOTOQJQBSA-N 2 1 365.522 0.223 20 0 FCADMP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001553460702 1268654702 /nfs/dbraw/zinc/65/47/02/1268654702.db2.gz AKTLAGGGQRQBBI-QILLFSRXSA-N 2 1 354.495 0.493 20 0 FCADMP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001553460702 1268654704 /nfs/dbraw/zinc/65/47/04/1268654704.db2.gz AKTLAGGGQRQBBI-QILLFSRXSA-N 2 1 354.495 0.493 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001553512643 1268661099 /nfs/dbraw/zinc/66/10/99/1268661099.db2.gz WUOPHEDXQRNRSS-GGPKGHCWSA-N 2 1 357.502 0.935 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001553512643 1268661109 /nfs/dbraw/zinc/66/11/09/1268661109.db2.gz WUOPHEDXQRNRSS-GGPKGHCWSA-N 2 1 357.502 0.935 20 0 FCADMP C[C@H]1Cn2nc(C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2C[NH2+]1 ZINC001340825570 1268671211 /nfs/dbraw/zinc/67/12/11/1268671211.db2.gz KMAACRKMEAFCRY-ZDUSSCGKSA-N 2 1 370.457 0.919 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001341016221 1268746216 /nfs/dbraw/zinc/74/62/16/1268746216.db2.gz YDBSDSNBVCWMRT-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001341016220 1268746588 /nfs/dbraw/zinc/74/65/88/1268746588.db2.gz YDBSDSNBVCWMRT-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1c(C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)nnn1[C@H]1CC[NH2+]C1 ZINC001554047355 1268748939 /nfs/dbraw/zinc/74/89/39/1268748939.db2.gz UCEQGMKCOSPHLM-ZDUSSCGKSA-N 2 1 367.417 0.617 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001341663936 1269139453 /nfs/dbraw/zinc/13/94/53/1269139453.db2.gz JLJFNZPISFSVGZ-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001341663936 1269139456 /nfs/dbraw/zinc/13/94/56/1269139456.db2.gz JLJFNZPISFSVGZ-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001341663936 1269139460 /nfs/dbraw/zinc/13/94/60/1269139460.db2.gz JLJFNZPISFSVGZ-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001341712153 1269164843 /nfs/dbraw/zinc/16/48/43/1269164843.db2.gz JNLWLOWKMUJPHE-MSOLQXFVSA-N 2 1 373.501 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@H+]1C ZINC001565866151 1269498104 /nfs/dbraw/zinc/49/81/04/1269498104.db2.gz ZCHMAPVAJFVBQN-OVYGPGRDSA-N 2 1 366.506 0.106 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)CC1 ZINC001566048520 1269581475 /nfs/dbraw/zinc/58/14/75/1269581475.db2.gz RDLPCOLLBZQIHX-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP COCCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001342857090 1269647721 /nfs/dbraw/zinc/64/77/21/1269647721.db2.gz YRZKAVXKRQZBMG-AWEZNQCLSA-N 2 1 364.450 0.084 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001566673706 1269657114 /nfs/dbraw/zinc/65/71/14/1269657114.db2.gz PQWDOLCMCKPNJT-KRWDZBQOSA-N 2 1 359.474 0.522 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001342929637 1269683558 /nfs/dbraw/zinc/68/35/58/1269683558.db2.gz JZSPIMFFOHFNSS-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001342936174 1269686965 /nfs/dbraw/zinc/68/69/65/1269686965.db2.gz KRGDKEMLPWCDKY-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001343693526 1269984090 /nfs/dbraw/zinc/98/40/90/1269984090.db2.gz HKRYWVIQLKUMHT-SJORKVTESA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001573518849 1270806838 /nfs/dbraw/zinc/80/68/38/1270806838.db2.gz VDAKLKCNYKRYKA-INIZCTEOSA-N 2 1 350.511 0.733 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574252468 1271122133 /nfs/dbraw/zinc/12/21/33/1271122133.db2.gz IDLHGKKKMMCVED-LBPRGKRZSA-N 2 1 363.491 0.959 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574259802 1271129595 /nfs/dbraw/zinc/12/95/95/1271129595.db2.gz AIZOIZITKROLJG-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574259802 1271129598 /nfs/dbraw/zinc/12/95/98/1271129598.db2.gz AIZOIZITKROLJG-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574259802 1271129603 /nfs/dbraw/zinc/12/96/03/1271129603.db2.gz AIZOIZITKROLJG-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574260757 1271135553 /nfs/dbraw/zinc/13/55/53/1271135553.db2.gz WHHSKDBVPIZHKC-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261655 1271136521 /nfs/dbraw/zinc/13/65/21/1271136521.db2.gz KREMLUGTYBPRKG-UKRRQHHQSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574262027 1271138033 /nfs/dbraw/zinc/13/80/33/1271138033.db2.gz NQHVCSCTODMLJT-UHFFFAOYSA-N 2 1 357.462 0.945 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574264735 1271141135 /nfs/dbraw/zinc/14/11/35/1271141135.db2.gz LFOAWNAPBNGVTI-SHTZXODSSA-N 2 1 357.462 0.944 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288937 1271164125 /nfs/dbraw/zinc/16/41/25/1271164125.db2.gz UXDYJZHKDKUWPD-CZUORRHYSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288935 1271165806 /nfs/dbraw/zinc/16/58/06/1271165806.db2.gz UXDYJZHKDKUWPD-BBRMVZONSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574670781 1271472136 /nfs/dbraw/zinc/47/21/36/1271472136.db2.gz CJCITEYPRPARLR-IHRRRGAJSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673126 1271477693 /nfs/dbraw/zinc/47/76/93/1271477693.db2.gz ZGYDMMMOQUKRRA-XJKSGUPXSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574672666 1271477887 /nfs/dbraw/zinc/47/78/87/1271477887.db2.gz YBOCNQSYPIZCMM-QWHCGFSZSA-N 2 1 358.450 0.332 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001580654888 1278637277 /nfs/dbraw/zinc/63/72/77/1278637277.db2.gz PUDHYEAJLYIDRK-CABCVRRESA-N 2 1 350.467 0.169 20 0 FCADMP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574803221 1271540871 /nfs/dbraw/zinc/54/08/71/1271540871.db2.gz BLKWKHPGPJLYNJ-QWHCGFSZSA-N 2 1 358.450 0.544 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873961 1271626536 /nfs/dbraw/zinc/62/65/36/1271626536.db2.gz PDNSSZOWLTVCCL-BBRMVZONSA-N 2 1 372.477 0.721 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874824 1271629174 /nfs/dbraw/zinc/62/91/74/1271629174.db2.gz DVHZWCKLRIWVCF-DGCLKSJQSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877299 1271637774 /nfs/dbraw/zinc/63/77/74/1271637774.db2.gz QUKRLZYZGHUSRO-DGCLKSJQSA-N 2 1 361.425 0.552 20 0 FCADMP CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C2CC[NH2+]CC2)C1 ZINC001575214489 1271793953 /nfs/dbraw/zinc/79/39/53/1271793953.db2.gz UXFBJZFKJUCKMM-QAPCUYQASA-N 2 1 357.495 0.699 20 0 FCADMP CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](O)C2CC[NH2+]CC2)C1 ZINC001575214487 1271794393 /nfs/dbraw/zinc/79/43/93/1271794393.db2.gz UXFBJZFKJUCKMM-MAUKXSAKSA-N 2 1 357.495 0.699 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cn2cc(C[NH3+])ccc2n1)N1CC[NH+](C)CC1 ZINC001575429987 1272094882 /nfs/dbraw/zinc/09/48/82/1272094882.db2.gz YLBLJCIWNOUSIW-QGZVFWFLSA-N 2 1 358.490 0.795 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cn2cc(C[NH3+])ccc2n1)N1CC[NH+](C)CC1 ZINC001575429986 1272096747 /nfs/dbraw/zinc/09/67/47/1272096747.db2.gz YLBLJCIWNOUSIW-KRWDZBQOSA-N 2 1 358.490 0.795 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437701 1272106663 /nfs/dbraw/zinc/10/66/63/1272106663.db2.gz CJWOKJUXNPGRED-KBPBESRZSA-N 2 1 372.477 0.673 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565849 1272199457 /nfs/dbraw/zinc/19/94/57/1272199457.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565849 1272199462 /nfs/dbraw/zinc/19/94/62/1272199462.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565849 1272199466 /nfs/dbraw/zinc/19/94/66/1272199466.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@@H](C[NH2+]CCc1c[nH]nn1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575613360 1272235133 /nfs/dbraw/zinc/23/51/33/1272235133.db2.gz SYRRLDIGEAJIPF-AWEZNQCLSA-N 2 1 352.483 0.142 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001575717125 1272362866 /nfs/dbraw/zinc/36/28/66/1272362866.db2.gz ZXJIDQORWUUPHV-UONOGXRCSA-N 2 1 363.510 0.827 20 0 FCADMP O=C(NCCC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001580680190 1278703710 /nfs/dbraw/zinc/70/37/10/1278703710.db2.gz HXMYQCQLGVXEQK-MRXNPFEDSA-N 2 1 354.495 0.699 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486382 1273336487 /nfs/dbraw/zinc/33/64/87/1273336487.db2.gz UZJFZDWVFMVVCH-HOTGVXAUSA-N 2 1 350.467 0.386 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[NH+](C)C ZINC001576512628 1273389338 /nfs/dbraw/zinc/38/93/38/1273389338.db2.gz ROUBUZJPCMLWAC-TWMKSMIVSA-N 2 1 369.473 0.753 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[NH+](C)C ZINC001576512630 1273390367 /nfs/dbraw/zinc/39/03/67/1273390367.db2.gz ROUBUZJPCMLWAC-VVLHAWIVSA-N 2 1 369.473 0.753 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@H]2C[NH2+]CCc2c[nH]nn2)cn1 ZINC001576750197 1273620516 /nfs/dbraw/zinc/62/05/16/1273620516.db2.gz OCHGAXYBMIDDMZ-KRWDZBQOSA-N 2 1 374.493 0.390 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794618 1273696584 /nfs/dbraw/zinc/69/65/84/1273696584.db2.gz FCKFYVMWBRUPHP-HOTGVXAUSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC001576830285 1273755480 /nfs/dbraw/zinc/75/54/80/1273755480.db2.gz FOEVUGCTVPMMGU-ZXFNITATSA-N 2 1 364.494 0.370 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576830541 1273757140 /nfs/dbraw/zinc/75/71/40/1273757140.db2.gz GYVGDLGROIMELG-IIDMSEBBSA-N 2 1 364.494 0.037 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)cc2C[NH2+]1 ZINC001576870517 1273847493 /nfs/dbraw/zinc/84/74/93/1273847493.db2.gz CGLKSZIUXRRFIA-LLVKDONJSA-N 2 1 356.430 0.788 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N(CC[NH2+]CCc2cn[nH]n2)Cc2ccccc2)C1 ZINC001576876835 1273858857 /nfs/dbraw/zinc/85/88/57/1273858857.db2.gz BFGQASVEZRKEIF-QGZVFWFLSA-N 2 1 356.474 0.917 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N(CC[NH2+]CCc2c[nH]nn2)Cc2ccccc2)C1 ZINC001576876835 1273858862 /nfs/dbraw/zinc/85/88/62/1273858862.db2.gz BFGQASVEZRKEIF-QGZVFWFLSA-N 2 1 356.474 0.917 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N(CC[NH2+]CCc2c[nH]nn2)Cc2ccccc2)C1 ZINC001576876835 1273858870 /nfs/dbraw/zinc/85/88/70/1273858870.db2.gz BFGQASVEZRKEIF-QGZVFWFLSA-N 2 1 356.474 0.917 20 0 FCADMP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H](C[NH2+]CCc1c[nH]nn1)C1CC1 ZINC001576881666 1273862896 /nfs/dbraw/zinc/86/28/96/1273862896.db2.gz FJWDMMBRQDYAFA-KRWDZBQOSA-N 2 1 364.494 0.285 20 0 FCADMP CN(C(=O)COC1CC[NH+](C)CC1)[C@H](C[NH2+]CCc1c[nH]nn1)C1CC1 ZINC001576881667 1273862933 /nfs/dbraw/zinc/86/29/33/1273862933.db2.gz FJWDMMBRQDYAFA-QGZVFWFLSA-N 2 1 364.494 0.285 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH3+])C1 ZINC001576995065 1274029019 /nfs/dbraw/zinc/02/90/19/1274029019.db2.gz IKKHWPJQGMCRLH-HUUCEWRRSA-N 2 1 365.526 0.932 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577548010 1274486854 /nfs/dbraw/zinc/48/68/54/1274486854.db2.gz ZHHJHANOTDLQDC-MRXNPFEDSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577553795 1274495150 /nfs/dbraw/zinc/49/51/50/1274495150.db2.gz IYOHRCWZWGKOCJ-UKRRQHHQSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558192 1274500563 /nfs/dbraw/zinc/50/05/63/1274500563.db2.gz CTMUVSZPVDQFLV-UONOGXRCSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558761 1274504139 /nfs/dbraw/zinc/50/41/39/1274504139.db2.gz MWYXFVLVLAOWLZ-UHFFFAOYSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577561152 1274509885 /nfs/dbraw/zinc/50/98/85/1274509885.db2.gz RIJQGSCSLLQGLX-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577568246 1274528546 /nfs/dbraw/zinc/52/85/46/1274528546.db2.gz NMPLYFWSQIZQOC-CQSZACIVSA-N 2 1 374.493 0.983 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573794 1274537517 /nfs/dbraw/zinc/53/75/17/1274537517.db2.gz BVFMGFUOLRXINE-AWEZNQCLSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576291 1274543060 /nfs/dbraw/zinc/54/30/60/1274543060.db2.gz VBMCIYCMPUUYOU-BETUJISGSA-N 2 1 358.450 0.475 20 0 FCADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1)C(C)C ZINC001577731515 1274807219 /nfs/dbraw/zinc/80/72/19/1274807219.db2.gz SRCXPMQZBPYMFW-OAHLLOKOSA-N 2 1 363.510 0.887 20 0 FCADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3C[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775996 1274866836 /nfs/dbraw/zinc/86/68/36/1274866836.db2.gz UWYRXHJHKRMOPS-ZWKOTPCHSA-N 2 1 361.538 0.802 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852567 1274995852 /nfs/dbraw/zinc/99/58/52/1274995852.db2.gz USERMDIVQCNWLD-WBMJQRKESA-N 2 1 372.477 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869685 1275054818 /nfs/dbraw/zinc/05/48/18/1275054818.db2.gz OMPQCZXOYFGODM-BETUJISGSA-N 2 1 358.450 0.332 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001577869754 1275054859 /nfs/dbraw/zinc/05/48/59/1275054859.db2.gz TZGNAZYAVFARCN-CYBMUJFWSA-N 2 1 360.466 0.935 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001577869754 1275054863 /nfs/dbraw/zinc/05/48/63/1275054863.db2.gz TZGNAZYAVFARCN-CYBMUJFWSA-N 2 1 360.466 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577869727 1275055351 /nfs/dbraw/zinc/05/53/51/1275055351.db2.gz RLIYEMGTIWVUDK-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577871989 1275060887 /nfs/dbraw/zinc/06/08/87/1275060887.db2.gz SDXGDZCHLRRRME-JOCQHMNTSA-N 2 1 358.450 0.332 20 0 FCADMP CCOCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](C)[NH3+] ZINC001578127436 1275426531 /nfs/dbraw/zinc/42/65/31/1275426531.db2.gz WRLCBANESJCTMB-CQSZACIVSA-N 2 1 354.499 0.709 20 0 FCADMP CCOCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](C)[NH3+] ZINC001578127436 1275426532 /nfs/dbraw/zinc/42/65/32/1275426532.db2.gz WRLCBANESJCTMB-CQSZACIVSA-N 2 1 354.499 0.709 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001578136220 1275435284 /nfs/dbraw/zinc/43/52/84/1275435284.db2.gz OHFCAIJDHCFQPC-MRXNPFEDSA-N 2 1 372.477 0.818 20 0 FCADMP CCO[C@@H]1C[N@H+](C[C@@]2(O)CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001578157745 1275457120 /nfs/dbraw/zinc/45/71/20/1275457120.db2.gz PURUTTNPKRSRLG-IIDMSEBBSA-N 2 1 357.495 0.963 20 0 FCADMP CCO[C@@H]1C[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001578157745 1275457123 /nfs/dbraw/zinc/45/71/23/1275457123.db2.gz PURUTTNPKRSRLG-IIDMSEBBSA-N 2 1 357.495 0.963 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219542 1275517196 /nfs/dbraw/zinc/51/71/96/1275517196.db2.gz MNLFSMSZEBMMLH-CZUORRHYSA-N 2 1 372.477 0.783 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578221418 1275520597 /nfs/dbraw/zinc/52/05/97/1275520597.db2.gz WXYLDMPRIIHJHX-DVOMOZLQSA-N 2 1 370.461 0.617 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223668 1275523166 /nfs/dbraw/zinc/52/31/66/1275523166.db2.gz CYGOJINEZXRPPE-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223668 1275523170 /nfs/dbraw/zinc/52/31/70/1275523170.db2.gz CYGOJINEZXRPPE-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[C@H]([NH3+])C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001578328644 1275675331 /nfs/dbraw/zinc/67/53/31/1275675331.db2.gz JRNDNMLUAQMLJF-LSDHHAIUSA-N 2 1 363.510 0.321 20 0 FCADMP CCc1nnc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001578331257 1275677503 /nfs/dbraw/zinc/67/75/03/1275677503.db2.gz QNYDZOPDAVFOAF-ZACQAIPSSA-N 2 1 362.522 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578444238 1275828029 /nfs/dbraw/zinc/82/80/29/1275828029.db2.gz NNXGYLIUEZSFFN-DZGCQCFKSA-N 2 1 372.477 0.887 20 0 FCADMP CN(C[C@H]1CCCO1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578525803 1275957313 /nfs/dbraw/zinc/95/73/13/1275957313.db2.gz QLTVWPHYEGVNOV-FSZRXZPDSA-N 2 1 364.494 0.165 20 0 FCADMP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525018 1275958189 /nfs/dbraw/zinc/95/81/89/1275958189.db2.gz MJXOMTIEPDDZJG-IRXDYDNUSA-N 2 1 352.523 0.900 20 0 FCADMP CN(Cc1ccoc1)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578526046 1275960308 /nfs/dbraw/zinc/96/03/08/1275960308.db2.gz YDACHNSUHDUVLG-MAUKXSAKSA-N 2 1 360.462 0.999 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@]3(O)CCC[NH2+]CC3)CC2)CC1 ZINC001578532557 1275963491 /nfs/dbraw/zinc/96/34/91/1275963491.db2.gz LMAWUQWJXGTDBZ-IBGZPJMESA-N 3 1 352.523 0.367 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCCC[C@H]3[NH3+])CC2)CC1 ZINC001578532739 1275963598 /nfs/dbraw/zinc/96/35/98/1275963598.db2.gz UVUZQZOUQMRCOD-DLBZAZTESA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[NH2+]C3CC3)CC2)CC1 ZINC001578532823 1275963917 /nfs/dbraw/zinc/96/39/17/1275963917.db2.gz YFSCBGNXGRHRFR-UHFFFAOYSA-N 2 1 351.495 0.324 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578533637 1275964804 /nfs/dbraw/zinc/96/48/04/1275964804.db2.gz QKZLBBDSXGMHPG-SFHVURJKSA-N 2 1 357.502 0.980 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578533637 1275964807 /nfs/dbraw/zinc/96/48/07/1275964807.db2.gz QKZLBBDSXGMHPG-SFHVURJKSA-N 2 1 357.502 0.980 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578533637 1275964808 /nfs/dbraw/zinc/96/48/08/1275964808.db2.gz QKZLBBDSXGMHPG-SFHVURJKSA-N 2 1 357.502 0.980 20 0 FCADMP C[NH2+]C[C@H](O)CN(C)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001578647528 1276099088 /nfs/dbraw/zinc/09/90/88/1276099088.db2.gz RDJBYIPOANWENQ-HNNXBMFYSA-N 2 1 350.467 0.284 20 0 FCADMP COC(=O)C1([C@]2(O)CCC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778253 1276261162 /nfs/dbraw/zinc/26/11/62/1276261162.db2.gz RDCXTGATTSDLHP-SUMDDJOVSA-N 2 1 352.475 0.925 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CCOCC[NH3+])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001578796624 1276285194 /nfs/dbraw/zinc/28/51/94/1276285194.db2.gz KOXACINXBMOURE-ZDUSSCGKSA-N 2 1 357.451 0.304 20 0 FCADMP CN(CC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578973597 1276520716 /nfs/dbraw/zinc/52/07/16/1276520716.db2.gz UXAOSHJVQFNMSF-UHFFFAOYSA-N 2 1 363.441 0.848 20 0 FCADMP COC[C@@]1(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C[NH2+]CCO1 ZINC001578975600 1276524547 /nfs/dbraw/zinc/52/45/47/1276524547.db2.gz UEKBQXRHQMPYKJ-HLAWJBBLSA-N 2 1 373.497 0.972 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001578976348 1276527511 /nfs/dbraw/zinc/52/75/11/1276527511.db2.gz VYLYVRBUNNCSNQ-YJBOKZPZSA-N 2 1 370.461 0.831 20 0 FCADMP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578980533 1276541039 /nfs/dbraw/zinc/54/10/39/1276541039.db2.gz KAGSZPSPLYSTCB-UHFFFAOYSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578980287 1276541059 /nfs/dbraw/zinc/54/10/59/1276541059.db2.gz FPEXFWUJTIJQIB-UHFFFAOYSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578980922 1276542216 /nfs/dbraw/zinc/54/22/16/1276542216.db2.gz QXNPZQBANYKFRG-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578985473 1276551775 /nfs/dbraw/zinc/55/17/75/1276551775.db2.gz IIMDEKFMFMNSEN-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP COCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001579019260 1276597715 /nfs/dbraw/zinc/59/77/15/1276597715.db2.gz NMAXJJPUTMIMGL-HRCADAONSA-N 2 1 366.510 0.676 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001579021267 1276600086 /nfs/dbraw/zinc/60/00/86/1276600086.db2.gz LJDQCBXQSLYUOC-LSDHHAIUSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001579022505 1276601246 /nfs/dbraw/zinc/60/12/46/1276601246.db2.gz YAWUZKCGXZSZST-GDBMZVCRSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2[NH2+]CC[C@H]2C)CC1 ZINC001579038050 1276623571 /nfs/dbraw/zinc/62/35/71/1276623571.db2.gz AKKXHINJGALJIV-WBVHZDCISA-N 2 1 362.522 0.997 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2C[NH2+]C2)C[C@H]1C ZINC001579038533 1276625436 /nfs/dbraw/zinc/62/54/36/1276625436.db2.gz IASVOEJJOTZVPX-CQSZACIVSA-N 2 1 359.478 0.650 20 0 FCADMP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579127346 1276812187 /nfs/dbraw/zinc/81/21/87/1276812187.db2.gz RYWSFOWFAVARBG-ZDUSSCGKSA-N 2 1 363.491 0.961 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579133083 1276827135 /nfs/dbraw/zinc/82/71/35/1276827135.db2.gz UQAGKIMWBIZULH-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579133083 1276827152 /nfs/dbraw/zinc/82/71/52/1276827152.db2.gz UQAGKIMWBIZULH-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579133083 1276827165 /nfs/dbraw/zinc/82/71/65/1276827165.db2.gz UQAGKIMWBIZULH-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579175794 1276935861 /nfs/dbraw/zinc/93/58/61/1276935861.db2.gz MIQFWVBMHIKHQU-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001579214437 1277009911 /nfs/dbraw/zinc/00/99/11/1277009911.db2.gz CMTODHVUMVQWPY-XJKSGUPXSA-N 2 1 370.461 0.571 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322741 1277138403 /nfs/dbraw/zinc/13/84/03/1277138403.db2.gz GKLBBTPTHWPJJB-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322741 1277138405 /nfs/dbraw/zinc/13/84/05/1277138405.db2.gz GKLBBTPTHWPJJB-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322741 1277138406 /nfs/dbraw/zinc/13/84/06/1277138406.db2.gz GKLBBTPTHWPJJB-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579325150 1277142487 /nfs/dbraw/zinc/14/24/87/1277142487.db2.gz AVXKQBZDHYXWJN-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325466 1277147853 /nfs/dbraw/zinc/14/78/53/1277147853.db2.gz CWQBBQUNPWPODO-UONOGXRCSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327003 1277151882 /nfs/dbraw/zinc/15/18/82/1277151882.db2.gz NWHUBEQEGKDTIC-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001579328411 1277156466 /nfs/dbraw/zinc/15/64/66/1277156466.db2.gz BZECJBVUACMJEF-UHFFFAOYSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579328601 1277156559 /nfs/dbraw/zinc/15/65/59/1277156559.db2.gz FOPGTMQUTZVDMQ-WOSRLPQWSA-N 2 1 368.445 0.251 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579328601 1277156571 /nfs/dbraw/zinc/15/65/71/1277156571.db2.gz FOPGTMQUTZVDMQ-WOSRLPQWSA-N 2 1 368.445 0.251 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327921 1277157722 /nfs/dbraw/zinc/15/77/22/1277157722.db2.gz ZHAXXRRGPHBTDX-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCC2)C1 ZINC001579331282 1277159807 /nfs/dbraw/zinc/15/98/07/1277159807.db2.gz BVRBSOPQOXGINP-OAHLLOKOSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579331189 1277160116 /nfs/dbraw/zinc/16/01/16/1277160116.db2.gz AROJKIKMQBEMIL-CQSZACIVSA-N 2 1 355.446 0.557 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331604 1277162779 /nfs/dbraw/zinc/16/27/79/1277162779.db2.gz CWTCIBFJKJBCMU-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331604 1277162781 /nfs/dbraw/zinc/16/27/81/1277162781.db2.gz CWTCIBFJKJBCMU-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331604 1277162786 /nfs/dbraw/zinc/16/27/86/1277162786.db2.gz CWTCIBFJKJBCMU-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001579332262 1277165226 /nfs/dbraw/zinc/16/52/26/1277165226.db2.gz KPYWSFKHFQLVRI-CQSZACIVSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333844 1277167945 /nfs/dbraw/zinc/16/79/45/1277167945.db2.gz SKZQIEBZDRTHRS-KXBFYZLASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333844 1277167950 /nfs/dbraw/zinc/16/79/50/1277167950.db2.gz SKZQIEBZDRTHRS-KXBFYZLASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333844 1277167952 /nfs/dbraw/zinc/16/79/52/1277167952.db2.gz SKZQIEBZDRTHRS-KXBFYZLASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333696 1277168923 /nfs/dbraw/zinc/16/89/23/1277168923.db2.gz RYVMWRUVPXWDLS-HUUCEWRRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333696 1277168926 /nfs/dbraw/zinc/16/89/26/1277168926.db2.gz RYVMWRUVPXWDLS-HUUCEWRRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333696 1277168927 /nfs/dbraw/zinc/16/89/27/1277168927.db2.gz RYVMWRUVPXWDLS-HUUCEWRRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333696 1277168929 /nfs/dbraw/zinc/16/89/29/1277168929.db2.gz RYVMWRUVPXWDLS-HUUCEWRRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001579334038 1277170799 /nfs/dbraw/zinc/17/07/99/1277170799.db2.gz UUIVWPJTWWRUOD-ZDUSSCGKSA-N 2 1 370.461 0.476 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334007 1277170811 /nfs/dbraw/zinc/17/08/11/1277170811.db2.gz UJVGBQUHSPVUSV-RDJZCZTQSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333982 1277170985 /nfs/dbraw/zinc/17/09/85/1277170985.db2.gz UEPARXJQWBPQHS-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333982 1277170987 /nfs/dbraw/zinc/17/09/87/1277170987.db2.gz UEPARXJQWBPQHS-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333982 1277170988 /nfs/dbraw/zinc/17/09/88/1277170988.db2.gz UEPARXJQWBPQHS-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333982 1277170989 /nfs/dbraw/zinc/17/09/89/1277170989.db2.gz UEPARXJQWBPQHS-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334292 1277171059 /nfs/dbraw/zinc/17/10/59/1277171059.db2.gz WLRRVBDSHDOJIG-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334292 1277171060 /nfs/dbraw/zinc/17/10/60/1277171060.db2.gz WLRRVBDSHDOJIG-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334292 1277171061 /nfs/dbraw/zinc/17/10/61/1277171061.db2.gz WLRRVBDSHDOJIG-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335055 1277173832 /nfs/dbraw/zinc/17/38/32/1277173832.db2.gz MTURHJRGKHSZGR-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335055 1277173836 /nfs/dbraw/zinc/17/38/36/1277173836.db2.gz MTURHJRGKHSZGR-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335055 1277173837 /nfs/dbraw/zinc/17/38/37/1277173837.db2.gz MTURHJRGKHSZGR-CABCVRRESA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338380 1277181428 /nfs/dbraw/zinc/18/14/28/1277181428.db2.gz LXCCPSQBBWIVRQ-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338380 1277181431 /nfs/dbraw/zinc/18/14/31/1277181431.db2.gz LXCCPSQBBWIVRQ-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338380 1277181433 /nfs/dbraw/zinc/18/14/33/1277181433.db2.gz LXCCPSQBBWIVRQ-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579339792 1277183595 /nfs/dbraw/zinc/18/35/95/1277183595.db2.gz MOFOWXYLSVTTLC-YUELXQCFSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579340400 1277185271 /nfs/dbraw/zinc/18/52/71/1277185271.db2.gz WWMFELWGHIDNFM-QMCVQRASSA-N 2 1 367.457 0.365 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579343994 1277194004 /nfs/dbraw/zinc/19/40/04/1277194004.db2.gz BMTINHXLAPIFNI-CQSZACIVSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579355048 1277217401 /nfs/dbraw/zinc/21/74/01/1277217401.db2.gz CHJFPPHTLDTMLQ-IAGOWNOFSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355263 1277219066 /nfs/dbraw/zinc/21/90/66/1277219066.db2.gz DMTDWZDUTZFMRO-ZBFHGGJFSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579358155 1277225596 /nfs/dbraw/zinc/22/55/96/1277225596.db2.gz AIPBTERHHSREHM-DLBZAZTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358911 1277229685 /nfs/dbraw/zinc/22/96/85/1277229685.db2.gz LOFPRACHNKMFRS-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358911 1277229687 /nfs/dbraw/zinc/22/96/87/1277229687.db2.gz LOFPRACHNKMFRS-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579358911 1277229693 /nfs/dbraw/zinc/22/96/93/1277229693.db2.gz LOFPRACHNKMFRS-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579359501 1277233543 /nfs/dbraw/zinc/23/35/43/1277233543.db2.gz WJVWTCUAQLVKQG-HNNXBMFYSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579360484 1277235940 /nfs/dbraw/zinc/23/59/40/1277235940.db2.gz JLMIZGDOSYSERQ-UKPHBRMFSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579362108 1277237523 /nfs/dbraw/zinc/23/75/23/1277237523.db2.gz QBJVVSAZAUSQGU-NTZNESFSSA-N 2 1 361.475 0.759 20 0 FCADMP C[C@@H]([NH3+])Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001579406399 1277287927 /nfs/dbraw/zinc/28/79/27/1277287927.db2.gz KYYLDYUJRSHYHP-ZBFHGGJFSA-N 2 1 374.464 0.876 20 0 FCADMP C[C@@H]([NH3+])Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001579406399 1277287937 /nfs/dbraw/zinc/28/79/37/1277287937.db2.gz KYYLDYUJRSHYHP-ZBFHGGJFSA-N 2 1 374.464 0.876 20 0 FCADMP C[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]1CCC[NH3+] ZINC001579421076 1277290905 /nfs/dbraw/zinc/29/09/05/1277290905.db2.gz YYCMGELCGIZRQD-OAGGEKHMSA-N 2 1 353.511 0.875 20 0 FCADMP C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)CC[NH2+]1 ZINC001579489636 1277402550 /nfs/dbraw/zinc/40/25/50/1277402550.db2.gz PDKDKXDKRZWGFG-JKSUJKDBSA-N 2 1 373.505 0.918 20 0 FCADMP Cc1cccc(-c2nnc(N3CC[C@H]([NH3+])C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001579745629 1277855102 /nfs/dbraw/zinc/85/51/02/1277855102.db2.gz SSQJKYYKWZUHEF-HOTGVXAUSA-N 2 1 371.489 0.907 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580277932 1278075046 /nfs/dbraw/zinc/07/50/46/1278075046.db2.gz YYEVSQAAGQWQBO-DMDPSCGWSA-N 2 1 363.491 0.863 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940502 1279148366 /nfs/dbraw/zinc/14/83/66/1279148366.db2.gz AIVSVAPSDWDLNG-JSGCOSHPSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941439 1279149646 /nfs/dbraw/zinc/14/96/46/1279149646.db2.gz HPVWABRKDMGVNP-ZFWWWQNUSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C[N@H+](C)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960441 1279163631 /nfs/dbraw/zinc/16/36/31/1279163631.db2.gz DLDFZEKHCPNQFJ-UHFFFAOYSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974527 1279174964 /nfs/dbraw/zinc/17/49/64/1279174964.db2.gz HZXIRCIGSVJVNQ-YDHLFZDLSA-N 2 1 368.445 0.454 20 0 FCADMP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974848 1279175917 /nfs/dbraw/zinc/17/59/17/1279175917.db2.gz XOBGEBBPRMUTNC-IHRRRGAJSA-N 2 1 368.445 0.311 20 0 FCADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977239 1279177890 /nfs/dbraw/zinc/17/78/90/1279177890.db2.gz HKDVAOABKXXISS-YYWXWVFPSA-N 2 1 368.445 0.073 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991433 1279194421 /nfs/dbraw/zinc/19/44/21/1279194421.db2.gz OZXHWDMKMZQZLH-MRVWCRGKSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993795 1279198900 /nfs/dbraw/zinc/19/89/00/1279198900.db2.gz NKEAVWLMCKSSOZ-MRXNPFEDSA-N 2 1 374.493 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001714705346 1287332535 /nfs/dbraw/zinc/33/25/35/1287332535.db2.gz FAFNXIIMOVKPSH-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP Cc1cc(NC2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003847 1279220338 /nfs/dbraw/zinc/22/03/38/1279220338.db2.gz YFGHWIZEFOHSCV-SEEARECTSA-N 2 1 370.461 0.488 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006309 1279225056 /nfs/dbraw/zinc/22/50/56/1279225056.db2.gz OPVWKVNKIMJKGN-ZFWWWQNUSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010261 1279236769 /nfs/dbraw/zinc/23/67/69/1279236769.db2.gz IFJKMEGATLDITA-ABAIWWIYSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012909 1279239385 /nfs/dbraw/zinc/23/93/85/1279239385.db2.gz DVCDREKMQLFDGL-ZDUSSCGKSA-N 2 1 360.466 0.591 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013658 1279240215 /nfs/dbraw/zinc/24/02/15/1279240215.db2.gz UVPIAIPLFBKRRP-TZMCWYRMSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026980 1279260743 /nfs/dbraw/zinc/26/07/43/1279260743.db2.gz PHVIHYLYJUBEHL-LBPRGKRZSA-N 2 1 360.466 0.639 20 0 FCADMP Cc1cc(NC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031693 1279269598 /nfs/dbraw/zinc/26/95/98/1279269598.db2.gz BHSDUCJFSSBJAO-WFASDCNBSA-N 2 1 358.450 0.393 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001603318283 1287352382 /nfs/dbraw/zinc/35/23/82/1287352382.db2.gz CEQJLBDMYQVBQL-HDJSIYSDSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncc(C(C)(C)C)o2)CC[N@@H+]1C ZINC001716087320 1287370066 /nfs/dbraw/zinc/37/00/66/1287370066.db2.gz DMQWQMBADLWAPU-HZSPNIEDSA-N 2 1 352.479 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncc(C(C)(C)C)o2)CC[N@H+]1C ZINC001716087320 1287370069 /nfs/dbraw/zinc/37/00/69/1287370069.db2.gz DMQWQMBADLWAPU-HZSPNIEDSA-N 2 1 352.479 0.879 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581563489 1280139632 /nfs/dbraw/zinc/13/96/32/1280139632.db2.gz NYHLIMQJCUBEEG-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001581563368 1280140252 /nfs/dbraw/zinc/14/02/52/1280140252.db2.gz LQBDQUPDDLCPGG-UHFFFAOYSA-N 2 1 366.429 0.810 20 0 FCADMP C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)[C@H]1CCC[NH2+]C1 ZINC001603610670 1287442707 /nfs/dbraw/zinc/44/27/07/1287442707.db2.gz CUFCXWSKTJQWPY-PJODQICGSA-N 2 1 355.446 0.558 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582099056 1281055112 /nfs/dbraw/zinc/05/51/12/1281055112.db2.gz HVLZTMASYJVNMI-MRXNPFEDSA-N 2 1 355.446 0.653 20 0 FCADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001718181777 1287470057 /nfs/dbraw/zinc/47/00/57/1287470057.db2.gz GIXPOGLZZIGZCC-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001589467331 1282889307 /nfs/dbraw/zinc/88/93/07/1282889307.db2.gz QFAXAIKFMDMKRP-HZPDHXFCSA-N 2 1 357.462 0.885 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001604332082 1287607187 /nfs/dbraw/zinc/60/71/87/1287607187.db2.gz KYJOAOMNCRVWRG-KGLIPLIRSA-N 2 1 372.477 0.935 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001604332082 1287607193 /nfs/dbraw/zinc/60/71/93/1287607193.db2.gz KYJOAOMNCRVWRG-KGLIPLIRSA-N 2 1 372.477 0.935 20 0 FCADMP CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001589683647 1282944501 /nfs/dbraw/zinc/94/45/01/1282944501.db2.gz BAWFUXYFQJHTHD-CQSZACIVSA-N 2 1 372.477 0.935 20 0 FCADMP CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001589683647 1282944511 /nfs/dbraw/zinc/94/45/11/1282944511.db2.gz BAWFUXYFQJHTHD-CQSZACIVSA-N 2 1 372.477 0.935 20 0 FCADMP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001590710948 1283745950 /nfs/dbraw/zinc/74/59/50/1283745950.db2.gz FFLXTXQRBMFSBA-CYBMUJFWSA-N 2 1 363.491 0.961 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590732496 1283764186 /nfs/dbraw/zinc/76/41/86/1283764186.db2.gz HVMKFHSNRAHTMB-OAHLLOKOSA-N 2 1 372.477 0.750 20 0 FCADMP CN(CC1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591063229 1284124847 /nfs/dbraw/zinc/12/48/47/1284124847.db2.gz QXUHZAPHEKZXGS-INIZCTEOSA-N 2 1 355.446 0.512 20 0 FCADMP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001591104670 1284178094 /nfs/dbraw/zinc/17/80/94/1284178094.db2.gz SADMMWREGWIIGC-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172501 1284254179 /nfs/dbraw/zinc/25/41/79/1284254179.db2.gz VRPGTNCQSCPSMC-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172501 1284254189 /nfs/dbraw/zinc/25/41/89/1284254189.db2.gz VRPGTNCQSCPSMC-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172501 1284254200 /nfs/dbraw/zinc/25/42/00/1284254200.db2.gz VRPGTNCQSCPSMC-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175411 1284267990 /nfs/dbraw/zinc/26/79/90/1284267990.db2.gz OHKSPARTJVTOSS-ZIAGYGMSSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175411 1284267994 /nfs/dbraw/zinc/26/79/94/1284267994.db2.gz OHKSPARTJVTOSS-ZIAGYGMSSA-N 2 1 370.461 0.689 20 0 FCADMP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001591178500 1284277516 /nfs/dbraw/zinc/27/75/16/1284277516.db2.gz KQGXOSMNELMVOH-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001591178490 1284278714 /nfs/dbraw/zinc/27/87/14/1284278714.db2.gz KJALGNNSXRXJBK-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC001591599542 1284762242 /nfs/dbraw/zinc/76/22/42/1284762242.db2.gz LVUXPTHRUIVGOI-HNNXBMFYSA-N 2 1 373.461 0.565 20 0 FCADMP Cc1cc(N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000835 1285052685 /nfs/dbraw/zinc/05/26/85/1285052685.db2.gz ZKSSVTCZCIWQEE-UGSOOPFHSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(NCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047581 1285091302 /nfs/dbraw/zinc/09/13/02/1285091302.db2.gz NYUXKNXGLVDBNW-HNNXBMFYSA-N 2 1 358.450 0.395 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592417072 1285341567 /nfs/dbraw/zinc/34/15/67/1285341567.db2.gz BOVMSFOIAHCSBR-UHFFFAOYSA-N 2 1 354.418 0.668 20 0 FCADMP [NH3+]C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C1CCCC1 ZINC001592740691 1285659491 /nfs/dbraw/zinc/65/94/91/1285659491.db2.gz IYGCEAUCOUVFNQ-HZPDHXFCSA-N 2 1 355.446 0.687 20 0 FCADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504938 1286184745 /nfs/dbraw/zinc/18/47/45/1286184745.db2.gz HBYZEZZFBNENAU-CZUORRHYSA-N 2 1 358.446 0.680 20 0 FCADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505707 1286184898 /nfs/dbraw/zinc/18/48/98/1286184898.db2.gz PBGYOVYAAPDFMB-ZFWWWQNUSA-N 2 1 358.446 0.680 20 0 FCADMP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC001593508432 1286188345 /nfs/dbraw/zinc/18/83/45/1286188345.db2.gz RWJGVIGUKKNCCJ-OAHLLOKOSA-N 2 1 358.446 0.823 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001707128249 1286464172 /nfs/dbraw/zinc/46/41/72/1286464172.db2.gz DCARPAZCDLZQPV-XOKHGSTOSA-N 2 1 360.462 0.544 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001719295654 1288056057 /nfs/dbraw/zinc/05/60/57/1288056057.db2.gz HZWZLAQOVBTSES-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001719295654 1288056064 /nfs/dbraw/zinc/05/60/64/1288056064.db2.gz HZWZLAQOVBTSES-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1O ZINC001719295654 1288056073 /nfs/dbraw/zinc/05/60/73/1288056073.db2.gz HZWZLAQOVBTSES-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605719975 1288059371 /nfs/dbraw/zinc/05/93/71/1288059371.db2.gz NHQNMCQFGQMBAG-BFHYXJOUSA-N 2 1 372.477 0.591 20 0 FCADMP Cc1cc(NCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733756 1288065609 /nfs/dbraw/zinc/06/56/09/1288065609.db2.gz LARYPTIBWAGXAA-ZIAGYGMSSA-N 2 1 372.477 0.593 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001606477805 1288339008 /nfs/dbraw/zinc/33/90/08/1288339008.db2.gz VPYXLKQIVHUFNX-IMJJTQAJSA-N 2 1 353.430 0.264 20 0 FCADMP CCOC1CC(C[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001731365538 1288553140 /nfs/dbraw/zinc/55/31/40/1288553140.db2.gz NJBMKGKKMDNYLH-LWSMDNFKSA-N 2 1 366.550 0.876 20 0 FCADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104866 1288663279 /nfs/dbraw/zinc/66/32/79/1288663279.db2.gz RYGANCDULCIZQH-DLBZAZTESA-N 2 1 360.462 0.727 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CCCC1 ZINC001735769898 1288889938 /nfs/dbraw/zinc/88/99/38/1288889938.db2.gz ULESUTYBSAUGMT-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912738 1289341362 /nfs/dbraw/zinc/34/13/62/1289341362.db2.gz SLXMDOGBBIZCNW-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912738 1289341373 /nfs/dbraw/zinc/34/13/73/1289341373.db2.gz SLXMDOGBBIZCNW-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001691912738 1289341382 /nfs/dbraw/zinc/34/13/82/1289341382.db2.gz SLXMDOGBBIZCNW-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001691932833 1289345806 /nfs/dbraw/zinc/34/58/06/1289345806.db2.gz VUYUSVBYRSJTSE-KZNAEPCWSA-N 2 1 358.486 0.801 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001691932833 1289345816 /nfs/dbraw/zinc/34/58/16/1289345816.db2.gz VUYUSVBYRSJTSE-KZNAEPCWSA-N 2 1 358.486 0.801 20 0 FCADMP CC(C)CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961871 1289351426 /nfs/dbraw/zinc/35/14/26/1289351426.db2.gz RUYCCCVFWAPFCX-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691961871 1289351433 /nfs/dbraw/zinc/35/14/33/1289351433.db2.gz RUYCCCVFWAPFCX-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691961871 1289351444 /nfs/dbraw/zinc/35/14/44/1289351444.db2.gz RUYCCCVFWAPFCX-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001692087029 1289395002 /nfs/dbraw/zinc/39/50/02/1289395002.db2.gz WHERDNVVQZLMAN-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001692087029 1289395010 /nfs/dbraw/zinc/39/50/10/1289395010.db2.gz WHERDNVVQZLMAN-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001692087029 1289395018 /nfs/dbraw/zinc/39/50/18/1289395018.db2.gz WHERDNVVQZLMAN-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001692096833 1289398527 /nfs/dbraw/zinc/39/85/27/1289398527.db2.gz HGSSUTLWEQQEIB-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001692319609 1289446424 /nfs/dbraw/zinc/44/64/24/1289446424.db2.gz RKDJJYWKOKKRID-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C)C1CC1 ZINC001692361739 1289450579 /nfs/dbraw/zinc/45/05/79/1289450579.db2.gz SQBAFPHHMXNTQW-OLMNPRSZSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C)C1CC1 ZINC001692361739 1289450587 /nfs/dbraw/zinc/45/05/87/1289450587.db2.gz SQBAFPHHMXNTQW-OLMNPRSZSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309251 1289550069 /nfs/dbraw/zinc/55/00/69/1289550069.db2.gz XJOQUNAVFOCFAS-PEHGNSNYSA-N 2 1 370.497 0.872 20 0 FCADMP C[C@H](C[NH2+]CC(=O)NCc1ccccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699364025 1289551409 /nfs/dbraw/zinc/55/14/09/1289551409.db2.gz YQOGKKIXLARTCA-IIAWOOMASA-N 2 1 364.465 0.876 20 0 FCADMP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309307 1289551442 /nfs/dbraw/zinc/55/14/42/1289551442.db2.gz XRERHVOSVVQMMO-ISMNZJHXSA-N 2 1 358.486 0.858 20 0 FCADMP Cc1nc(CC[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001699896641 1289571211 /nfs/dbraw/zinc/57/12/11/1289571211.db2.gz BMWWRSKDAIGMFN-QBIMZIAESA-N 2 1 366.531 0.887 20 0 FCADMP Cc1nc(CC[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001699896641 1289571215 /nfs/dbraw/zinc/57/12/15/1289571215.db2.gz BMWWRSKDAIGMFN-QBIMZIAESA-N 2 1 366.531 0.887 20 0 FCADMP Cc1nc(CC[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001699896641 1289571220 /nfs/dbraw/zinc/57/12/20/1289571220.db2.gz BMWWRSKDAIGMFN-QBIMZIAESA-N 2 1 366.531 0.887 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001739449278 1290014470 /nfs/dbraw/zinc/01/44/70/1290014470.db2.gz MGHRJTHXBRMLIC-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001739449278 1290014481 /nfs/dbraw/zinc/01/44/81/1290014481.db2.gz MGHRJTHXBRMLIC-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001739449278 1290014492 /nfs/dbraw/zinc/01/44/92/1290014492.db2.gz MGHRJTHXBRMLIC-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739457732 1290033878 /nfs/dbraw/zinc/03/38/78/1290033878.db2.gz CWFMFSGSKZARLQ-IXDOHACOSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001702354920 1290118158 /nfs/dbraw/zinc/11/81/58/1290118158.db2.gz DIMFONVEGOVDFL-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OC ZINC001739584228 1290196865 /nfs/dbraw/zinc/19/68/65/1290196865.db2.gz IFEADTOPQIYQCA-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001745980725 1290585903 /nfs/dbraw/zinc/58/59/03/1290585903.db2.gz MLEIHYRCQMYZSW-RHSMWYFYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)C2CC2)CC[N@H+]1C ZINC001754441771 1290627647 /nfs/dbraw/zinc/62/76/47/1290627647.db2.gz QYUOLDMZRQTAFJ-FVQBIDKESA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001756770266 1290663680 /nfs/dbraw/zinc/66/36/80/1290663680.db2.gz DNRSGNVCKSAWLG-NVXWUHKLSA-N 2 1 366.506 0.180 20 0 FCADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525483 1290673775 /nfs/dbraw/zinc/67/37/75/1290673775.db2.gz QMMTZGXNHZYSKN-BRSBDYLESA-N 2 1 353.507 0.716 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001757120378 1290718350 /nfs/dbraw/zinc/71/83/50/1290718350.db2.gz WBRPXDILBPYXKL-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001757120378 1290718352 /nfs/dbraw/zinc/71/83/52/1290718352.db2.gz WBRPXDILBPYXKL-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001757120378 1290718356 /nfs/dbraw/zinc/71/83/56/1290718356.db2.gz WBRPXDILBPYXKL-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001653481982 1291347579 /nfs/dbraw/zinc/34/75/79/1291347579.db2.gz BUMJWSOLABFZBN-LPHOPBHVSA-N 2 1 363.502 0.688 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC001658106240 1291618896 /nfs/dbraw/zinc/61/88/96/1291618896.db2.gz PMEUCMUITPEYRK-MRXNPFEDSA-N 2 1 358.527 0.831 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001668400240 1291962938 /nfs/dbraw/zinc/96/29/38/1291962938.db2.gz LWBGGILBDLBWSV-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CCCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC001679000016 1292289359 /nfs/dbraw/zinc/28/93/59/1292289359.db2.gz XYQUHIABAHQZJS-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP CCCN1C[C@@H](CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000016 1292289367 /nfs/dbraw/zinc/28/93/67/1292289367.db2.gz XYQUHIABAHQZJS-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP CCCN1C[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC001679000017 1292289402 /nfs/dbraw/zinc/28/94/02/1292289402.db2.gz XYQUHIABAHQZJS-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CCCN1C[C@H](CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000017 1292289410 /nfs/dbraw/zinc/28/94/10/1292289410.db2.gz XYQUHIABAHQZJS-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001688875984 1294542723 /nfs/dbraw/zinc/54/27/23/1294542723.db2.gz JQBURKLAIGFWIL-GZBFAFLISA-N 2 1 365.478 0.559 20 0 FCADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001688875984 1294542732 /nfs/dbraw/zinc/54/27/32/1294542732.db2.gz JQBURKLAIGFWIL-GZBFAFLISA-N 2 1 365.478 0.559 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001689067192 1294591225 /nfs/dbraw/zinc/59/12/25/1294591225.db2.gz SPENVTXUHDMECP-KZNAEPCWSA-N 2 1 363.506 0.821 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001689190544 1294657759 /nfs/dbraw/zinc/65/77/59/1294657759.db2.gz DAQRSDGZLRCGFQ-JKSUJKDBSA-N 2 1 354.495 0.202 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001689190544 1294657767 /nfs/dbraw/zinc/65/77/67/1294657767.db2.gz DAQRSDGZLRCGFQ-JKSUJKDBSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1CC ZINC001689193787 1294660526 /nfs/dbraw/zinc/66/05/26/1294660526.db2.gz FYRVJJZHDJVDRP-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1CC ZINC001689193787 1294660538 /nfs/dbraw/zinc/66/05/38/1294660538.db2.gz FYRVJJZHDJVDRP-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1CC ZINC001689193787 1294660548 /nfs/dbraw/zinc/66/05/48/1294660548.db2.gz FYRVJJZHDJVDRP-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1CC ZINC001689193787 1294660557 /nfs/dbraw/zinc/66/05/57/1294660557.db2.gz FYRVJJZHDJVDRP-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001689234522 1294696005 /nfs/dbraw/zinc/69/60/05/1294696005.db2.gz CHJFCRMEPHSNHH-BBWFWOEESA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001689234522 1294696014 /nfs/dbraw/zinc/69/60/14/1294696014.db2.gz CHJFCRMEPHSNHH-BBWFWOEESA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001689234522 1294696024 /nfs/dbraw/zinc/69/60/24/1294696024.db2.gz CHJFCRMEPHSNHH-BBWFWOEESA-N 2 1 350.507 0.587 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001689239044 1294700541 /nfs/dbraw/zinc/70/05/41/1294700541.db2.gz WTZDZLNUODYXDA-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001689239044 1294700548 /nfs/dbraw/zinc/70/05/48/1294700548.db2.gz WTZDZLNUODYXDA-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001689239044 1294700557 /nfs/dbraw/zinc/70/05/57/1294700557.db2.gz WTZDZLNUODYXDA-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001689323559 1294748604 /nfs/dbraw/zinc/74/86/04/1294748604.db2.gz OKXJGOKQJANQPC-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001689323559 1294748613 /nfs/dbraw/zinc/74/86/13/1294748613.db2.gz OKXJGOKQJANQPC-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001690405105 1294867600 /nfs/dbraw/zinc/86/76/00/1294867600.db2.gz BZLQOJCMZRPPTL-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001690811265 1294885339 /nfs/dbraw/zinc/88/53/39/1294885339.db2.gz OKEYYPMCHFBNMO-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001690811265 1294885354 /nfs/dbraw/zinc/88/53/54/1294885354.db2.gz OKEYYPMCHFBNMO-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001690811265 1294885366 /nfs/dbraw/zinc/88/53/66/1294885366.db2.gz OKEYYPMCHFBNMO-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001690811265 1294885380 /nfs/dbraw/zinc/88/53/80/1294885380.db2.gz OKEYYPMCHFBNMO-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001691841986 1294937825 /nfs/dbraw/zinc/93/78/25/1294937825.db2.gz LTUSVGXPVGIVNF-ZWKOTPCHSA-N 2 1 356.474 0.814 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924371 721870843 /nfs/dbraw/zinc/87/08/43/721870843.db2.gz LEBYKYVEHOBFBZ-MSOLQXFVSA-N 2 1 372.517 0.342 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924371 721870846 /nfs/dbraw/zinc/87/08/46/721870846.db2.gz LEBYKYVEHOBFBZ-MSOLQXFVSA-N 2 1 372.517 0.342 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924373 721870969 /nfs/dbraw/zinc/87/09/69/721870969.db2.gz LEBYKYVEHOBFBZ-ROUUACIJSA-N 2 1 372.517 0.342 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924373 721870971 /nfs/dbraw/zinc/87/09/71/721870971.db2.gz LEBYKYVEHOBFBZ-ROUUACIJSA-N 2 1 372.517 0.342 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001066279653 837422791 /nfs/dbraw/zinc/42/27/91/837422791.db2.gz XBJYFHWUGJLUED-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001066279653 837422801 /nfs/dbraw/zinc/42/28/01/837422801.db2.gz XBJYFHWUGJLUED-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712407 837474438 /nfs/dbraw/zinc/47/44/38/837474438.db2.gz KTLYZKCCDRMSPJ-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712407 837474442 /nfs/dbraw/zinc/47/44/42/837474442.db2.gz KTLYZKCCDRMSPJ-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CCC[NH+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712407 837474448 /nfs/dbraw/zinc/47/44/48/837474448.db2.gz KTLYZKCCDRMSPJ-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CCC[NH+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712407 837474455 /nfs/dbraw/zinc/47/44/55/837474455.db2.gz KTLYZKCCDRMSPJ-HZPDHXFCSA-N 2 1 356.511 0.354 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006284 837593957 /nfs/dbraw/zinc/59/39/57/837593957.db2.gz NSTRUGHSBOCKSB-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006284 837593963 /nfs/dbraw/zinc/59/39/63/837593963.db2.gz NSTRUGHSBOCKSB-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006284 837593972 /nfs/dbraw/zinc/59/39/72/837593972.db2.gz NSTRUGHSBOCKSB-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006284 837593976 /nfs/dbraw/zinc/59/39/76/837593976.db2.gz NSTRUGHSBOCKSB-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070223898 837636010 /nfs/dbraw/zinc/63/60/10/837636010.db2.gz CHRPJAJAPICXEB-OAGGEKHMSA-N 2 1 352.458 0.710 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001070378223 837650779 /nfs/dbraw/zinc/65/07/79/837650779.db2.gz GFPYKUZUVGUFGP-GMBSWORKSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964478 837706056 /nfs/dbraw/zinc/70/60/56/837706056.db2.gz KMACAOXVEVSCLI-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964478 837706067 /nfs/dbraw/zinc/70/60/67/837706067.db2.gz KMACAOXVEVSCLI-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964478 837706070 /nfs/dbraw/zinc/70/60/70/837706070.db2.gz KMACAOXVEVSCLI-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964478 837706074 /nfs/dbraw/zinc/70/60/74/837706074.db2.gz KMACAOXVEVSCLI-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)C1 ZINC001071105236 837735586 /nfs/dbraw/zinc/73/55/86/837735586.db2.gz LBMBBMPUTFJYCQ-IKGGRYGDSA-N 2 1 357.470 0.662 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCF)CC2)C1 ZINC001071105236 837735591 /nfs/dbraw/zinc/73/55/91/837735591.db2.gz LBMBBMPUTFJYCQ-IKGGRYGDSA-N 2 1 357.470 0.662 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074659023 837820417 /nfs/dbraw/zinc/82/04/17/837820417.db2.gz UHSURHKRIIDRDA-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001074659028 837821392 /nfs/dbraw/zinc/82/13/92/837821392.db2.gz UNHXJTCSSCIZMA-BARDWOONSA-N 2 1 350.463 0.055 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099345660 844037083 /nfs/dbraw/zinc/03/70/83/844037083.db2.gz NDBCYPVMOPYHGT-IJLUTSLNSA-N 2 1 350.385 0.325 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099345660 844037088 /nfs/dbraw/zinc/03/70/88/844037088.db2.gz NDBCYPVMOPYHGT-IJLUTSLNSA-N 2 1 350.385 0.325 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171985 844088306 /nfs/dbraw/zinc/08/83/06/844088306.db2.gz RIHQFVAKXUZWBD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171985 844088316 /nfs/dbraw/zinc/08/83/16/844088316.db2.gz RIHQFVAKXUZWBD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171985 844088321 /nfs/dbraw/zinc/08/83/21/844088321.db2.gz RIHQFVAKXUZWBD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP COCCOCCOCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702582934 836099777 /nfs/dbraw/zinc/09/97/77/836099777.db2.gz BFZXIPTULCEDDG-LJQANCHMSA-N 2 1 352.475 0.893 20 0 FCADMP COCCOCCOCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702582934 836099784 /nfs/dbraw/zinc/09/97/84/836099784.db2.gz BFZXIPTULCEDDG-LJQANCHMSA-N 2 1 352.475 0.893 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101278979 844131204 /nfs/dbraw/zinc/13/12/04/844131204.db2.gz BVBYVGZFQHWDIN-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101278979 844131210 /nfs/dbraw/zinc/13/12/10/844131210.db2.gz BVBYVGZFQHWDIN-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101278979 844131223 /nfs/dbraw/zinc/13/12/23/844131223.db2.gz BVBYVGZFQHWDIN-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345012 844153971 /nfs/dbraw/zinc/15/39/71/844153971.db2.gz PFAPOKYGQSVMLN-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001101351252 844155120 /nfs/dbraw/zinc/15/51/20/844155120.db2.gz ZXZIVIJCUYLHTB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@]2(C)C1 ZINC001101352692 844156006 /nfs/dbraw/zinc/15/60/06/844156006.db2.gz JSIQZAVAPKWRFK-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363492 844160261 /nfs/dbraw/zinc/16/02/61/844160261.db2.gz WEGYHNJNPZVEJE-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363492 844160268 /nfs/dbraw/zinc/16/02/68/844160268.db2.gz WEGYHNJNPZVEJE-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363492 844160275 /nfs/dbraw/zinc/16/02/75/844160275.db2.gz WEGYHNJNPZVEJE-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000823241577 836513315 /nfs/dbraw/zinc/51/33/15/836513315.db2.gz RKQUDPNQWVOWEA-LSDHHAIUSA-N 2 1 352.479 0.607 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000823241577 836513321 /nfs/dbraw/zinc/51/33/21/836513321.db2.gz RKQUDPNQWVOWEA-LSDHHAIUSA-N 2 1 352.479 0.607 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000823241577 836513325 /nfs/dbraw/zinc/51/33/25/836513325.db2.gz RKQUDPNQWVOWEA-LSDHHAIUSA-N 2 1 352.479 0.607 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000823241577 836513327 /nfs/dbraw/zinc/51/33/27/836513327.db2.gz RKQUDPNQWVOWEA-LSDHHAIUSA-N 2 1 352.479 0.607 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101402326 844174925 /nfs/dbraw/zinc/17/49/25/844174925.db2.gz CVNFZPGQQJOYNO-MJGOQNOKSA-N 2 1 353.507 0.508 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CCOCC3CC3)C[C@@]2(C)C1 ZINC001101432400 844184325 /nfs/dbraw/zinc/18/43/25/844184325.db2.gz QCTUHSQSTKUZBL-MJGOQNOKSA-N 2 1 353.507 0.772 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432193 844184502 /nfs/dbraw/zinc/18/45/02/844184502.db2.gz GPTRNAJISARWFO-AEFFLSMTSA-N 2 1 350.463 0.842 20 0 FCADMP Cc1conc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432745 844185714 /nfs/dbraw/zinc/18/57/14/844185714.db2.gz YKFKBGYYMFRWIY-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP Cc1conc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432745 844185721 /nfs/dbraw/zinc/18/57/21/844185721.db2.gz YKFKBGYYMFRWIY-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460650 844193593 /nfs/dbraw/zinc/19/35/93/844193593.db2.gz POZQTCBVFPHCTC-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460650 844193598 /nfs/dbraw/zinc/19/35/98/844193598.db2.gz POZQTCBVFPHCTC-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460650 844193601 /nfs/dbraw/zinc/19/36/01/844193601.db2.gz POZQTCBVFPHCTC-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460650 844193603 /nfs/dbraw/zinc/19/36/03/844193603.db2.gz POZQTCBVFPHCTC-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3([NH+](C)C)CCC3)CCC2)CC[N@H+]1C ZINC001063362512 836764739 /nfs/dbraw/zinc/76/47/39/836764739.db2.gz UYFMYWVOEZJDGK-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101477495 844202517 /nfs/dbraw/zinc/20/25/17/844202517.db2.gz XLOZPHJNPRKFHQ-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101477495 844202521 /nfs/dbraw/zinc/20/25/21/844202521.db2.gz XLOZPHJNPRKFHQ-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101477495 844202534 /nfs/dbraw/zinc/20/25/34/844202534.db2.gz XLOZPHJNPRKFHQ-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001076361741 837989241 /nfs/dbraw/zinc/98/92/41/837989241.db2.gz JLXMVTCXESKMPV-ZWKOTPCHSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001076361741 837989245 /nfs/dbraw/zinc/98/92/45/837989245.db2.gz JLXMVTCXESKMPV-ZWKOTPCHSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001076362078 837991747 /nfs/dbraw/zinc/99/17/47/837991747.db2.gz ZMFYWZOBSUIYCQ-RCCFBDPRSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001076362078 837991758 /nfs/dbraw/zinc/99/17/58/837991758.db2.gz ZMFYWZOBSUIYCQ-RCCFBDPRSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001076987089 838196354 /nfs/dbraw/zinc/19/63/54/838196354.db2.gz BXWSHCBMRCHNML-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001076987089 838196359 /nfs/dbraw/zinc/19/63/59/838196359.db2.gz BXWSHCBMRCHNML-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001076987089 838196363 /nfs/dbraw/zinc/19/63/63/838196363.db2.gz BXWSHCBMRCHNML-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077130511 838755789 /nfs/dbraw/zinc/75/57/89/838755789.db2.gz BKNLPAPKTQIXMJ-MGPQQGTHSA-N 2 1 354.401 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077130511 838755797 /nfs/dbraw/zinc/75/57/97/838755797.db2.gz BKNLPAPKTQIXMJ-MGPQQGTHSA-N 2 1 354.401 0.967 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077146642 838767495 /nfs/dbraw/zinc/76/74/95/838767495.db2.gz VVWUXUJODJHUNA-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077146642 838767499 /nfs/dbraw/zinc/76/74/99/838767499.db2.gz VVWUXUJODJHUNA-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077146642 838767505 /nfs/dbraw/zinc/76/75/05/838767505.db2.gz VVWUXUJODJHUNA-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077146642 838767513 /nfs/dbraw/zinc/76/75/13/838767513.db2.gz VVWUXUJODJHUNA-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219081 838822944 /nfs/dbraw/zinc/82/29/44/838822944.db2.gz JBJXEDPCUHXOIW-BRWVUGGUSA-N 2 1 351.491 0.593 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001102015507 844372666 /nfs/dbraw/zinc/37/26/66/844372666.db2.gz IITWCLSHMIPBAQ-FMKPAKJESA-N 2 1 354.474 0.679 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001102015507 844372672 /nfs/dbraw/zinc/37/26/72/844372672.db2.gz IITWCLSHMIPBAQ-FMKPAKJESA-N 2 1 354.474 0.679 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077281100 838873313 /nfs/dbraw/zinc/87/33/13/838873313.db2.gz WGWACNNEASJPTM-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077281100 838873327 /nfs/dbraw/zinc/87/33/27/838873327.db2.gz WGWACNNEASJPTM-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077281100 838873340 /nfs/dbraw/zinc/87/33/40/838873340.db2.gz WGWACNNEASJPTM-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077281100 838873355 /nfs/dbraw/zinc/87/33/55/838873355.db2.gz WGWACNNEASJPTM-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566893 839040446 /nfs/dbraw/zinc/04/04/46/839040446.db2.gz RXKQAXAXXMSBAF-ZACQAIPSSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566893 839040453 /nfs/dbraw/zinc/04/04/53/839040453.db2.gz RXKQAXAXXMSBAF-ZACQAIPSSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566893 839040460 /nfs/dbraw/zinc/04/04/60/839040460.db2.gz RXKQAXAXXMSBAF-ZACQAIPSSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566893 839040470 /nfs/dbraw/zinc/04/04/70/839040470.db2.gz RXKQAXAXXMSBAF-ZACQAIPSSA-N 2 1 367.515 0.561 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077571685 839047835 /nfs/dbraw/zinc/04/78/35/839047835.db2.gz SDEJWOYVFOXDIB-SPWCGHHHSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077571685 839047845 /nfs/dbraw/zinc/04/78/45/839047845.db2.gz SDEJWOYVFOXDIB-SPWCGHHHSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571685 839047854 /nfs/dbraw/zinc/04/78/54/839047854.db2.gz SDEJWOYVFOXDIB-SPWCGHHHSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571685 839047864 /nfs/dbraw/zinc/04/78/64/839047864.db2.gz SDEJWOYVFOXDIB-SPWCGHHHSA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051604 844395923 /nfs/dbraw/zinc/39/59/23/844395923.db2.gz AEBIDFVJKLJJKQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051604 844395929 /nfs/dbraw/zinc/39/59/29/844395929.db2.gz AEBIDFVJKLJJKQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051604 844395933 /nfs/dbraw/zinc/39/59/33/844395933.db2.gz AEBIDFVJKLJJKQ-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679630 839107101 /nfs/dbraw/zinc/10/71/01/839107101.db2.gz XMWYDVVLIKJWQC-BPLDGKMQSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679630 839107106 /nfs/dbraw/zinc/10/71/06/839107106.db2.gz XMWYDVVLIKJWQC-BPLDGKMQSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679630 839107114 /nfs/dbraw/zinc/10/71/14/839107114.db2.gz XMWYDVVLIKJWQC-BPLDGKMQSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679630 839107118 /nfs/dbraw/zinc/10/71/18/839107118.db2.gz XMWYDVVLIKJWQC-BPLDGKMQSA-N 2 1 352.504 0.497 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@H]2O)C1 ZINC001077685641 839114820 /nfs/dbraw/zinc/11/48/20/839114820.db2.gz XRUAKSRHUHXNDQ-GVDBMIGSSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)C1 ZINC001077685641 839114825 /nfs/dbraw/zinc/11/48/25/839114825.db2.gz XRUAKSRHUHXNDQ-GVDBMIGSSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)C1 ZINC001077685641 839114832 /nfs/dbraw/zinc/11/48/32/839114832.db2.gz XRUAKSRHUHXNDQ-GVDBMIGSSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077779405 839153261 /nfs/dbraw/zinc/15/32/61/839153261.db2.gz LPYLMYXNHNZUSF-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077927705 839234301 /nfs/dbraw/zinc/23/43/01/839234301.db2.gz AXBFBQBGWKHMPP-CGTJXYLNSA-N 2 1 353.507 0.695 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007723 839289890 /nfs/dbraw/zinc/28/98/90/839289890.db2.gz YDVOIKUIPLAFLA-FVQBIDKESA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007723 839289904 /nfs/dbraw/zinc/28/99/04/839289904.db2.gz YDVOIKUIPLAFLA-FVQBIDKESA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078007723 839289914 /nfs/dbraw/zinc/28/99/14/839289914.db2.gz YDVOIKUIPLAFLA-FVQBIDKESA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078007723 839289924 /nfs/dbraw/zinc/28/99/24/839289924.db2.gz YDVOIKUIPLAFLA-FVQBIDKESA-N 2 1 350.463 0.549 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102112741 844420665 /nfs/dbraw/zinc/42/06/65/844420665.db2.gz FCZDJRPUDPJHGB-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102112741 844420668 /nfs/dbraw/zinc/42/06/68/844420668.db2.gz FCZDJRPUDPJHGB-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102112741 844420672 /nfs/dbraw/zinc/42/06/72/844420672.db2.gz FCZDJRPUDPJHGB-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175657 839382276 /nfs/dbraw/zinc/38/22/76/839382276.db2.gz GLIHCTOPIANRKJ-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175657 839382288 /nfs/dbraw/zinc/38/22/88/839382288.db2.gz GLIHCTOPIANRKJ-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175657 839382301 /nfs/dbraw/zinc/38/23/01/839382301.db2.gz GLIHCTOPIANRKJ-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078175657 839382313 /nfs/dbraw/zinc/38/23/13/839382313.db2.gz GLIHCTOPIANRKJ-IAOVAPTHSA-N 2 1 351.422 0.318 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC001078403697 839456843 /nfs/dbraw/zinc/45/68/43/839456843.db2.gz GHRSRGJYGJMMCQ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001078418737 839460394 /nfs/dbraw/zinc/46/03/94/839460394.db2.gz VNMFMJLBXFUZMF-IIAWOOMASA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001078418737 839460402 /nfs/dbraw/zinc/46/04/02/839460402.db2.gz VNMFMJLBXFUZMF-IIAWOOMASA-N 2 1 368.503 0.569 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681641 839573244 /nfs/dbraw/zinc/57/32/44/839573244.db2.gz UVQJSWITCKVXHR-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681641 839573252 /nfs/dbraw/zinc/57/32/52/839573252.db2.gz UVQJSWITCKVXHR-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681641 839573262 /nfs/dbraw/zinc/57/32/62/839573262.db2.gz UVQJSWITCKVXHR-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079681641 839573266 /nfs/dbraw/zinc/57/32/66/839573266.db2.gz UVQJSWITCKVXHR-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730677 839581523 /nfs/dbraw/zinc/58/15/23/839581523.db2.gz IRDVULTYERJWQO-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)CC[N@H+]1C ZINC001079730677 839581532 /nfs/dbraw/zinc/58/15/32/839581532.db2.gz IRDVULTYERJWQO-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730677 839581538 /nfs/dbraw/zinc/58/15/38/839581538.db2.gz IRDVULTYERJWQO-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730677 839581548 /nfs/dbraw/zinc/58/15/48/839581548.db2.gz IRDVULTYERJWQO-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079806771 839598035 /nfs/dbraw/zinc/59/80/35/839598035.db2.gz WVCSVJGZDOFWQH-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079806771 839598040 /nfs/dbraw/zinc/59/80/40/839598040.db2.gz WVCSVJGZDOFWQH-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079806771 839598047 /nfs/dbraw/zinc/59/80/47/839598047.db2.gz WVCSVJGZDOFWQH-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079946843 839628576 /nfs/dbraw/zinc/62/85/76/839628576.db2.gz CZIJVERAXSORTE-KBRIMQKVSA-N 2 1 350.507 0.726 20 0 FCADMP CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080189540 839679419 /nfs/dbraw/zinc/67/94/19/839679419.db2.gz YVLWGBSKCQSBJU-DJIMGWMZSA-N 2 1 352.523 0.972 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383836 839714325 /nfs/dbraw/zinc/71/43/25/839714325.db2.gz ZPOTXMJRIZMWLG-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441368 839724479 /nfs/dbraw/zinc/72/44/79/839724479.db2.gz KHRYLHIGYJMKRD-HBUWYVDXSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441368 839724490 /nfs/dbraw/zinc/72/44/90/839724490.db2.gz KHRYLHIGYJMKRD-HBUWYVDXSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080441368 839724494 /nfs/dbraw/zinc/72/44/94/839724494.db2.gz KHRYLHIGYJMKRD-HBUWYVDXSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080441368 839724504 /nfs/dbraw/zinc/72/45/04/839724504.db2.gz KHRYLHIGYJMKRD-HBUWYVDXSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558828 839746070 /nfs/dbraw/zinc/74/60/70/839746070.db2.gz GRFCUXJXIWOYLJ-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558751 839746878 /nfs/dbraw/zinc/74/68/78/839746878.db2.gz BQFTVWQWSCXEHJ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080558340 839747443 /nfs/dbraw/zinc/74/74/43/839747443.db2.gz RCLGPSDZJQVXJV-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080558340 839747447 /nfs/dbraw/zinc/74/74/47/839747447.db2.gz RCLGPSDZJQVXJV-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080558340 839747452 /nfs/dbraw/zinc/74/74/52/839747452.db2.gz RCLGPSDZJQVXJV-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935483 839837224 /nfs/dbraw/zinc/83/72/24/839837224.db2.gz WPXWKCUFDVOUCC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935483 839837234 /nfs/dbraw/zinc/83/72/34/839837234.db2.gz WPXWKCUFDVOUCC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935483 839837239 /nfs/dbraw/zinc/83/72/39/839837239.db2.gz WPXWKCUFDVOUCC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935483 839837246 /nfs/dbraw/zinc/83/72/46/839837246.db2.gz WPXWKCUFDVOUCC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935092 839837344 /nfs/dbraw/zinc/83/73/44/839837344.db2.gz KGYVOGUSHKQJON-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935092 839837357 /nfs/dbraw/zinc/83/73/57/839837357.db2.gz KGYVOGUSHKQJON-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935092 839837369 /nfs/dbraw/zinc/83/73/69/839837369.db2.gz KGYVOGUSHKQJON-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935092 839837378 /nfs/dbraw/zinc/83/73/78/839837378.db2.gz KGYVOGUSHKQJON-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368233 844476200 /nfs/dbraw/zinc/47/62/00/844476200.db2.gz LZXRXPWMZJXHJU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368233 844476204 /nfs/dbraw/zinc/47/62/04/844476204.db2.gz LZXRXPWMZJXHJU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368233 844476209 /nfs/dbraw/zinc/47/62/09/844476209.db2.gz LZXRXPWMZJXHJU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369753 844478289 /nfs/dbraw/zinc/47/82/89/844478289.db2.gz GDEHYSJDMGRGDQ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369753 844478290 /nfs/dbraw/zinc/47/82/90/844478290.db2.gz GDEHYSJDMGRGDQ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369753 844478294 /nfs/dbraw/zinc/47/82/94/844478294.db2.gz GDEHYSJDMGRGDQ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370128 844478332 /nfs/dbraw/zinc/47/83/32/844478332.db2.gz RQYOAZGFFGBHQR-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370128 844478335 /nfs/dbraw/zinc/47/83/35/844478335.db2.gz RQYOAZGFFGBHQR-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370128 844478338 /nfs/dbraw/zinc/47/83/38/844478338.db2.gz RQYOAZGFFGBHQR-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430424 844497180 /nfs/dbraw/zinc/49/71/80/844497180.db2.gz PWTDXIKDNRMQCJ-NVXWUHKLSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102468706 844509906 /nfs/dbraw/zinc/50/99/06/844509906.db2.gz WDTRSHSYPIGWBP-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102468706 844509911 /nfs/dbraw/zinc/50/99/11/844509911.db2.gz WDTRSHSYPIGWBP-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095681 840183485 /nfs/dbraw/zinc/18/34/85/840183485.db2.gz CUBMMIJRSMHILG-GVDBMIGSSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102473507 844514631 /nfs/dbraw/zinc/51/46/31/844514631.db2.gz CQGWLBJBRJEHHK-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102473507 844514633 /nfs/dbraw/zinc/51/46/33/844514633.db2.gz CQGWLBJBRJEHHK-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480333 844519317 /nfs/dbraw/zinc/51/93/17/844519317.db2.gz KYSOXBPKJUCGPA-HZPDHXFCSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480333 844519323 /nfs/dbraw/zinc/51/93/23/844519323.db2.gz KYSOXBPKJUCGPA-HZPDHXFCSA-N 2 1 359.536 0.447 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368796 840356730 /nfs/dbraw/zinc/35/67/30/840356730.db2.gz NHGLZHQNUKZQKI-RRFJBIMHSA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368796 840356741 /nfs/dbraw/zinc/35/67/41/840356741.db2.gz NHGLZHQNUKZQKI-RRFJBIMHSA-N 2 1 352.504 0.761 20 0 FCADMP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368796 840356753 /nfs/dbraw/zinc/35/67/53/840356753.db2.gz NHGLZHQNUKZQKI-RRFJBIMHSA-N 2 1 352.504 0.761 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082544928 840457423 /nfs/dbraw/zinc/45/74/23/840457423.db2.gz YEBBOGCAFAYEES-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082560024 840465445 /nfs/dbraw/zinc/46/54/45/840465445.db2.gz XLWJFQBACYOOCD-XNRPHZJLSA-N 2 1 352.458 0.524 20 0 FCADMP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)s1 ZINC001102511132 844541887 /nfs/dbraw/zinc/54/18/87/844541887.db2.gz KNTMHJQWUYYBKU-TZMCWYRMSA-N 2 1 355.508 0.609 20 0 FCADMP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)s1 ZINC001102511132 844541895 /nfs/dbraw/zinc/54/18/95/844541895.db2.gz KNTMHJQWUYYBKU-TZMCWYRMSA-N 2 1 355.508 0.609 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082570425 840470269 /nfs/dbraw/zinc/47/02/69/840470269.db2.gz LGBARWQHZFMQMP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccon1 ZINC001082591904 840478658 /nfs/dbraw/zinc/47/86/58/840478658.db2.gz DEOOHTLEIPJEKX-GDBMZVCRSA-N 2 1 350.463 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513619 844544689 /nfs/dbraw/zinc/54/46/89/844544689.db2.gz UBFGFVVJBIQGPT-HZPDHXFCSA-N 2 1 351.495 0.225 20 0 FCADMP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513462 844544884 /nfs/dbraw/zinc/54/48/84/844544884.db2.gz LPDGXKXJRTVYAG-UMVBOHGHSA-N 2 1 353.467 0.701 20 0 FCADMP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513462 844544886 /nfs/dbraw/zinc/54/48/86/844544886.db2.gz LPDGXKXJRTVYAG-UMVBOHGHSA-N 2 1 353.467 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccs1 ZINC001082653417 840513089 /nfs/dbraw/zinc/51/30/89/840513089.db2.gz JXJNMDSQGJUFKQ-ILLDSPSKSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520916 844550749 /nfs/dbraw/zinc/55/07/49/844550749.db2.gz HRSJLJGGCSHAPH-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520916 844550756 /nfs/dbraw/zinc/55/07/56/844550756.db2.gz HRSJLJGGCSHAPH-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525669 844552812 /nfs/dbraw/zinc/55/28/12/844552812.db2.gz OMQJKOAQHLGLAY-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525669 844552815 /nfs/dbraw/zinc/55/28/15/844552815.db2.gz OMQJKOAQHLGLAY-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525669 844552820 /nfs/dbraw/zinc/55/28/20/844552820.db2.gz OMQJKOAQHLGLAY-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]21 ZINC001083024702 840661401 /nfs/dbraw/zinc/66/14/01/840661401.db2.gz WWSKRDJJRGMKNW-FGTMMUONSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083024702 840661413 /nfs/dbraw/zinc/66/14/13/840661413.db2.gz WWSKRDJJRGMKNW-FGTMMUONSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083024702 840661423 /nfs/dbraw/zinc/66/14/23/840661423.db2.gz WWSKRDJJRGMKNW-FGTMMUONSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192822 840786765 /nfs/dbraw/zinc/78/67/65/840786765.db2.gz QCNAOOSOSFJDQD-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192822 840786774 /nfs/dbraw/zinc/78/67/74/840786774.db2.gz QCNAOOSOSFJDQD-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192822 840786780 /nfs/dbraw/zinc/78/67/80/840786780.db2.gz QCNAOOSOSFJDQD-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083192822 840786788 /nfs/dbraw/zinc/78/67/88/840786788.db2.gz QCNAOOSOSFJDQD-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](C[C@H]4CCOC4)C[C@@H]32)C1 ZINC001083193358 840788131 /nfs/dbraw/zinc/78/81/31/840788131.db2.gz NUDKERWWDOSOPC-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)C1 ZINC001083193358 840788143 /nfs/dbraw/zinc/78/81/43/840788143.db2.gz NUDKERWWDOSOPC-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)C1 ZINC001083193358 840788150 /nfs/dbraw/zinc/78/81/50/840788150.db2.gz NUDKERWWDOSOPC-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102580477 844575115 /nfs/dbraw/zinc/57/51/15/844575115.db2.gz YIMIQYQIBWRYCO-GDBMZVCRSA-N 2 1 366.531 0.998 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083244892 840828838 /nfs/dbraw/zinc/82/88/38/840828838.db2.gz OVMASLHARCXQIA-ZWKOTPCHSA-N 2 1 351.491 0.402 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247899 840832108 /nfs/dbraw/zinc/83/21/08/840832108.db2.gz JDDAIBHWWKKCSQ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247899 840832118 /nfs/dbraw/zinc/83/21/18/840832118.db2.gz JDDAIBHWWKKCSQ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247899 840832130 /nfs/dbraw/zinc/83/21/30/840832130.db2.gz JDDAIBHWWKKCSQ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247899 840832143 /nfs/dbraw/zinc/83/21/43/840832143.db2.gz JDDAIBHWWKKCSQ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596426 844587639 /nfs/dbraw/zinc/58/76/39/844587639.db2.gz FJJWGJOVNNARHH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600061 844591020 /nfs/dbraw/zinc/59/10/20/844591020.db2.gz JYQHHESXAGLMNJ-JFIYKMOQSA-N 2 1 352.523 0.927 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385769 840956771 /nfs/dbraw/zinc/95/67/71/840956771.db2.gz YKQBAJWNYXSZTH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385769 840956777 /nfs/dbraw/zinc/95/67/77/840956777.db2.gz YKQBAJWNYXSZTH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385769 840956787 /nfs/dbraw/zinc/95/67/87/840956787.db2.gz YKQBAJWNYXSZTH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385769 840956793 /nfs/dbraw/zinc/95/67/93/840956793.db2.gz YKQBAJWNYXSZTH-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472566 841046466 /nfs/dbraw/zinc/04/64/66/841046466.db2.gz FEFJNRWZJBDALK-DDBAPUKQSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083472566 841046485 /nfs/dbraw/zinc/04/64/85/841046485.db2.gz FEFJNRWZJBDALK-DDBAPUKQSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083472566 841046495 /nfs/dbraw/zinc/04/64/95/841046495.db2.gz FEFJNRWZJBDALK-DDBAPUKQSA-N 2 1 353.507 0.695 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083505921 841093003 /nfs/dbraw/zinc/09/30/03/841093003.db2.gz IRSFNEDRUVAGST-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083505921 841093010 /nfs/dbraw/zinc/09/30/10/841093010.db2.gz IRSFNEDRUVAGST-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083505921 841093015 /nfs/dbraw/zinc/09/30/15/841093015.db2.gz IRSFNEDRUVAGST-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522314 841119978 /nfs/dbraw/zinc/11/99/78/841119978.db2.gz BKNLPAPKTQIXMJ-RDBSUJKOSA-N 2 1 354.401 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522314 841119991 /nfs/dbraw/zinc/11/99/91/841119991.db2.gz BKNLPAPKTQIXMJ-RDBSUJKOSA-N 2 1 354.401 0.967 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654828 841281412 /nfs/dbraw/zinc/28/14/12/841281412.db2.gz IOWCNNMLFGTGBR-XFHVWQCUSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654828 841281419 /nfs/dbraw/zinc/28/14/19/841281419.db2.gz IOWCNNMLFGTGBR-XFHVWQCUSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654828 841281423 /nfs/dbraw/zinc/28/14/23/841281423.db2.gz IOWCNNMLFGTGBR-XFHVWQCUSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725978 841365845 /nfs/dbraw/zinc/36/58/45/841365845.db2.gz VYDSCUJGGUBTBZ-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725978 841365857 /nfs/dbraw/zinc/36/58/57/841365857.db2.gz VYDSCUJGGUBTBZ-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725978 841365869 /nfs/dbraw/zinc/36/58/69/841365869.db2.gz VYDSCUJGGUBTBZ-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725978 841365877 /nfs/dbraw/zinc/36/58/77/841365877.db2.gz VYDSCUJGGUBTBZ-FGTMMUONSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083825957 841466814 /nfs/dbraw/zinc/46/68/14/841466814.db2.gz RRANXPDOHLBOAM-OAGGEKHMSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083825957 841466816 /nfs/dbraw/zinc/46/68/16/841466816.db2.gz RRANXPDOHLBOAM-OAGGEKHMSA-N 2 1 350.463 0.737 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959318 841604559 /nfs/dbraw/zinc/60/45/59/841604559.db2.gz QZUIJHGCBACOQO-KGLIPLIRSA-N 2 1 350.488 0.251 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001275834189 861219548 /nfs/dbraw/zinc/21/95/48/861219548.db2.gz ZOMLHWSBXOEVIE-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053986 841668286 /nfs/dbraw/zinc/66/82/86/841668286.db2.gz RXGFUBWNKLEQLK-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053986 841668289 /nfs/dbraw/zinc/66/82/89/841668289.db2.gz RXGFUBWNKLEQLK-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053986 841668299 /nfs/dbraw/zinc/66/82/99/841668299.db2.gz RXGFUBWNKLEQLK-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053986 841668306 /nfs/dbraw/zinc/66/83/06/841668306.db2.gz RXGFUBWNKLEQLK-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP CCNC(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001275879388 861242359 /nfs/dbraw/zinc/24/23/59/861242359.db2.gz OFPWZKZJCVHOCZ-CVEARBPZSA-N 2 1 350.507 0.683 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001275879326 861244289 /nfs/dbraw/zinc/24/42/89/861244289.db2.gz NANJQHVDIUXIGG-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084668264 841877693 /nfs/dbraw/zinc/87/76/93/841877693.db2.gz OOPNATXOGBQLJT-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001275892509 861250273 /nfs/dbraw/zinc/25/02/73/861250273.db2.gz DDNLODLYJLOSKZ-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830649 841925256 /nfs/dbraw/zinc/92/52/56/841925256.db2.gz BZHONUPJSZXAOP-BRWVUGGUSA-N 2 1 369.531 0.296 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830649 841925262 /nfs/dbraw/zinc/92/52/62/841925262.db2.gz BZHONUPJSZXAOP-BRWVUGGUSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830649 841925264 /nfs/dbraw/zinc/92/52/64/841925264.db2.gz BZHONUPJSZXAOP-BRWVUGGUSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001084830649 841925265 /nfs/dbraw/zinc/92/52/65/841925265.db2.gz BZHONUPJSZXAOP-BRWVUGGUSA-N 2 1 369.531 0.296 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085245934 842055239 /nfs/dbraw/zinc/05/52/39/842055239.db2.gz UXSQYACYRJHHRW-OAGGEKHMSA-N 2 1 351.495 0.513 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085274884 842065693 /nfs/dbraw/zinc/06/56/93/842065693.db2.gz DQROOLYLWVZAEJ-ARFHVFGLSA-N 2 1 368.503 0.643 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085423273 842099561 /nfs/dbraw/zinc/09/95/61/842099561.db2.gz GUZXRIGOANNIQE-HUUCEWRRSA-N 2 1 352.458 0.860 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001086665483 842146075 /nfs/dbraw/zinc/14/60/75/842146075.db2.gz GHZCWBVEXSSKGT-IMJJTQAJSA-N 2 1 369.897 0.742 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001086665483 842146085 /nfs/dbraw/zinc/14/60/85/842146085.db2.gz GHZCWBVEXSSKGT-IMJJTQAJSA-N 2 1 369.897 0.742 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664930 842146146 /nfs/dbraw/zinc/14/61/46/842146146.db2.gz JITZBRQCQRDPQB-YSVLISHTSA-N 2 1 350.463 0.942 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664930 842146153 /nfs/dbraw/zinc/14/61/53/842146153.db2.gz JITZBRQCQRDPQB-YSVLISHTSA-N 2 1 350.463 0.942 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccns3)C2)C1 ZINC001086666039 842147613 /nfs/dbraw/zinc/14/76/13/842147613.db2.gz WZLZWSBPSLOKQC-LZWOXQAQSA-N 2 1 352.504 0.891 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccns3)C2)C1 ZINC001086666039 842147621 /nfs/dbraw/zinc/14/76/21/842147621.db2.gz WZLZWSBPSLOKQC-LZWOXQAQSA-N 2 1 352.504 0.891 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001086784952 842173311 /nfs/dbraw/zinc/17/33/11/842173311.db2.gz CRBUJFJUYJXCMO-LZWOXQAQSA-N 2 1 351.451 0.553 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087059494 842255792 /nfs/dbraw/zinc/25/57/92/842255792.db2.gz IULWPPVNJGSZTQ-CZUORRHYSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087059494 842255803 /nfs/dbraw/zinc/25/58/03/842255803.db2.gz IULWPPVNJGSZTQ-CZUORRHYSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087101070 842289497 /nfs/dbraw/zinc/28/94/97/842289497.db2.gz RQPRVNZTCKGRKZ-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087101209 842291190 /nfs/dbraw/zinc/29/11/90/842291190.db2.gz YNFMDMVTRKJSBI-UMVBOHGHSA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087101208 842291884 /nfs/dbraw/zinc/29/18/84/842291884.db2.gz YNFMDMVTRKJSBI-GZBFAFLISA-N 2 1 353.492 0.443 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964041 842480907 /nfs/dbraw/zinc/48/09/07/842480907.db2.gz TYCPVCGFLHPNBP-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964041 842480910 /nfs/dbraw/zinc/48/09/10/842480910.db2.gz TYCPVCGFLHPNBP-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964041 842480913 /nfs/dbraw/zinc/48/09/13/842480913.db2.gz TYCPVCGFLHPNBP-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963733 842481207 /nfs/dbraw/zinc/48/12/07/842481207.db2.gz FPAMUMCKYJHKBG-IKGGRYGDSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963733 842481211 /nfs/dbraw/zinc/48/12/11/842481211.db2.gz FPAMUMCKYJHKBG-IKGGRYGDSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963733 842481223 /nfs/dbraw/zinc/48/12/23/842481223.db2.gz FPAMUMCKYJHKBG-IKGGRYGDSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963733 842481227 /nfs/dbraw/zinc/48/12/27/842481227.db2.gz FPAMUMCKYJHKBG-IKGGRYGDSA-N 2 1 371.547 0.684 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]2C1 ZINC001088140852 842542354 /nfs/dbraw/zinc/54/23/54/842542354.db2.gz HZCALHGNCFFBLP-KURKYZTESA-N 2 1 351.491 0.526 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]2C1 ZINC001088140852 842542357 /nfs/dbraw/zinc/54/23/57/842542357.db2.gz HZCALHGNCFFBLP-KURKYZTESA-N 2 1 351.491 0.526 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001088166951 842548755 /nfs/dbraw/zinc/54/87/55/842548755.db2.gz ZSNKJVASPQDXNV-IKGGRYGDSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088166951 842548761 /nfs/dbraw/zinc/54/87/61/842548761.db2.gz ZSNKJVASPQDXNV-IKGGRYGDSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088166951 842548764 /nfs/dbraw/zinc/54/87/64/842548764.db2.gz ZSNKJVASPQDXNV-IKGGRYGDSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212642 842563748 /nfs/dbraw/zinc/56/37/48/842563748.db2.gz FKZGPPKNZPNOGF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212642 842563754 /nfs/dbraw/zinc/56/37/54/842563754.db2.gz FKZGPPKNZPNOGF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212642 842563763 /nfs/dbraw/zinc/56/37/63/842563763.db2.gz FKZGPPKNZPNOGF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569451 842615437 /nfs/dbraw/zinc/61/54/37/842615437.db2.gz UUVHJCLFYXNCMD-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569451 842615441 /nfs/dbraw/zinc/61/54/41/842615441.db2.gz UUVHJCLFYXNCMD-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569451 842615448 /nfs/dbraw/zinc/61/54/48/842615448.db2.gz UUVHJCLFYXNCMD-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569451 842615453 /nfs/dbraw/zinc/61/54/53/842615453.db2.gz UUVHJCLFYXNCMD-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001091035548 842935688 /nfs/dbraw/zinc/93/56/88/842935688.db2.gz AVTBWZAMSJBDLN-BLYZHGLHSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001091035548 842935693 /nfs/dbraw/zinc/93/56/93/842935693.db2.gz AVTBWZAMSJBDLN-BLYZHGLHSA-N 2 1 350.467 0.460 20 0 FCADMP COc1nscc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091097912 842962016 /nfs/dbraw/zinc/96/20/16/842962016.db2.gz YTHKGJPTCGMECU-BNQIPGGESA-N 2 1 368.503 0.855 20 0 FCADMP COc1nscc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091097912 842962024 /nfs/dbraw/zinc/96/20/24/842962024.db2.gz YTHKGJPTCGMECU-BNQIPGGESA-N 2 1 368.503 0.855 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091673112 843068942 /nfs/dbraw/zinc/06/89/42/843068942.db2.gz ZLQDGZGQFNGKFR-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H](CCC(=O)OC)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276270271 861378687 /nfs/dbraw/zinc/37/86/87/861378687.db2.gz UDRWDNBGZBLVTE-HNNXBMFYSA-N 2 1 355.479 0.441 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022341 843143067 /nfs/dbraw/zinc/14/30/67/843143067.db2.gz SVXOJLPEFDPZON-ALKREAHSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604846 843249583 /nfs/dbraw/zinc/24/95/83/843249583.db2.gz PPSRCWGXKSKWKN-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604846 843249592 /nfs/dbraw/zinc/24/95/92/843249592.db2.gz PPSRCWGXKSKWKN-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604846 843249605 /nfs/dbraw/zinc/24/96/05/843249605.db2.gz PPSRCWGXKSKWKN-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721127 843285228 /nfs/dbraw/zinc/28/52/28/843285228.db2.gz GOWOLSIWVUOQFS-HZPDHXFCSA-N 2 1 371.547 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721127 843285239 /nfs/dbraw/zinc/28/52/39/843285239.db2.gz GOWOLSIWVUOQFS-HZPDHXFCSA-N 2 1 371.547 0.591 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721426 843285732 /nfs/dbraw/zinc/28/57/32/843285732.db2.gz MOTKZPFYLLYKPX-OAGGEKHMSA-N 2 1 350.507 0.810 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721385 843286020 /nfs/dbraw/zinc/28/60/20/843286020.db2.gz KOEBZLLWFXMSLD-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721385 843286031 /nfs/dbraw/zinc/28/60/31/843286031.db2.gz KOEBZLLWFXMSLD-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721385 843286045 /nfs/dbraw/zinc/28/60/45/843286045.db2.gz KOEBZLLWFXMSLD-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721385 843286055 /nfs/dbraw/zinc/28/60/55/843286055.db2.gz KOEBZLLWFXMSLD-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937104 843348529 /nfs/dbraw/zinc/34/85/29/843348529.db2.gz OLYBJQWXPPZAQD-BFYDXBDKSA-N 2 1 371.547 0.447 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097518 843387654 /nfs/dbraw/zinc/38/76/54/843387654.db2.gz GRJONPSTXAWCDY-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195620 843405005 /nfs/dbraw/zinc/40/50/05/843405005.db2.gz SEDVHSCGWTYUKR-FVQBIDKESA-N 2 1 366.531 0.854 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093195620 843405014 /nfs/dbraw/zinc/40/50/14/843405014.db2.gz SEDVHSCGWTYUKR-FVQBIDKESA-N 2 1 366.531 0.854 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093195620 843405022 /nfs/dbraw/zinc/40/50/22/843405022.db2.gz SEDVHSCGWTYUKR-FVQBIDKESA-N 2 1 366.531 0.854 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208970 843406833 /nfs/dbraw/zinc/40/68/33/843406833.db2.gz MLXWYMGLVXZEKF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208970 843406845 /nfs/dbraw/zinc/40/68/45/843406845.db2.gz MLXWYMGLVXZEKF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208970 843406854 /nfs/dbraw/zinc/40/68/54/843406854.db2.gz MLXWYMGLVXZEKF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208970 843406863 /nfs/dbraw/zinc/40/68/63/843406863.db2.gz MLXWYMGLVXZEKF-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)C1 ZINC001093992079 843500697 /nfs/dbraw/zinc/50/06/97/843500697.db2.gz KRKSLCSVUJXFDS-IIAWOOMASA-N 2 1 351.451 0.363 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)C1 ZINC001093992079 843500705 /nfs/dbraw/zinc/50/07/05/843500705.db2.gz KRKSLCSVUJXFDS-IIAWOOMASA-N 2 1 351.451 0.363 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094043889 843507756 /nfs/dbraw/zinc/50/77/56/843507756.db2.gz BHTTVQVTTZHPBJ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094219869 843533006 /nfs/dbraw/zinc/53/30/06/843533006.db2.gz VAUXAQYYCJGKNC-HZSPNIEDSA-N 2 1 350.467 0.271 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)C1 ZINC001094232377 843536960 /nfs/dbraw/zinc/53/69/60/843536960.db2.gz VFCLYWINIULNPP-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)C1 ZINC001094232377 843536972 /nfs/dbraw/zinc/53/69/72/843536972.db2.gz VFCLYWINIULNPP-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412997 843549310 /nfs/dbraw/zinc/54/93/10/843549310.db2.gz RRSCNWSCAVLFLM-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094412997 843549317 /nfs/dbraw/zinc/54/93/17/843549317.db2.gz RRSCNWSCAVLFLM-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094412997 843549325 /nfs/dbraw/zinc/54/93/25/843549325.db2.gz RRSCNWSCAVLFLM-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740276 843697218 /nfs/dbraw/zinc/69/72/18/843697218.db2.gz NEFBBYPWTNAABC-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740274 843697239 /nfs/dbraw/zinc/69/72/39/843697239.db2.gz NEFBBYPWTNAABC-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097210087 843853373 /nfs/dbraw/zinc/85/33/73/843853373.db2.gz OHARVSDMBVSMOB-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097210087 843853380 /nfs/dbraw/zinc/85/33/80/843853380.db2.gz OHARVSDMBVSMOB-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001097210087 843853390 /nfs/dbraw/zinc/85/33/90/843853390.db2.gz OHARVSDMBVSMOB-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001097210087 843853399 /nfs/dbraw/zinc/85/33/99/843853399.db2.gz OHARVSDMBVSMOB-VQHPVUNQSA-N 2 1 350.507 0.774 20 0 FCADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215786 843854492 /nfs/dbraw/zinc/85/44/92/843854492.db2.gz DTCMBLISESLOCF-BDXSIMOUSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001097215786 843854500 /nfs/dbraw/zinc/85/45/00/843854500.db2.gz DTCMBLISESLOCF-BDXSIMOUSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001097215786 843854508 /nfs/dbraw/zinc/85/45/08/843854508.db2.gz DTCMBLISESLOCF-BDXSIMOUSA-N 2 1 351.491 0.998 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098842281 843939882 /nfs/dbraw/zinc/93/98/82/843939882.db2.gz ZQSWAQWNGMOSCN-BQFCYCMXSA-N 2 1 369.531 0.344 20 0 FCADMP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098842281 843939884 /nfs/dbraw/zinc/93/98/84/843939884.db2.gz ZQSWAQWNGMOSCN-BQFCYCMXSA-N 2 1 369.531 0.344 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099250460 843990683 /nfs/dbraw/zinc/99/06/83/843990683.db2.gz NJFBMVIUSHCMKE-IJLUTSLNSA-N 2 1 350.385 0.323 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099250460 843990689 /nfs/dbraw/zinc/99/06/89/843990689.db2.gz NJFBMVIUSHCMKE-IJLUTSLNSA-N 2 1 350.385 0.323 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099296254 844009966 /nfs/dbraw/zinc/00/99/66/844009966.db2.gz OZDUVBFCMQKRPB-JHJVBQTASA-N 2 1 353.385 0.067 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099296254 844009970 /nfs/dbraw/zinc/00/99/70/844009970.db2.gz OZDUVBFCMQKRPB-JHJVBQTASA-N 2 1 353.385 0.067 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099296255 844010248 /nfs/dbraw/zinc/01/02/48/844010248.db2.gz OZDUVBFCMQKRPB-UPJWGTAASA-N 2 1 353.385 0.067 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099296255 844010255 /nfs/dbraw/zinc/01/02/55/844010255.db2.gz OZDUVBFCMQKRPB-UPJWGTAASA-N 2 1 353.385 0.067 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102783045 844647647 /nfs/dbraw/zinc/64/76/47/844647647.db2.gz SRCZOERVMTWDFN-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102783045 844647651 /nfs/dbraw/zinc/64/76/51/844647651.db2.gz SRCZOERVMTWDFN-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102783045 844647653 /nfs/dbraw/zinc/64/76/53/844647653.db2.gz SRCZOERVMTWDFN-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049887 844690481 /nfs/dbraw/zinc/69/04/81/844690481.db2.gz JIUWFNPBALVGLX-OAGGEKHMSA-N 2 1 358.502 0.829 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049886 844690647 /nfs/dbraw/zinc/69/06/47/844690647.db2.gz JIUWFNPBALVGLX-BZUAXINKSA-N 2 1 358.502 0.829 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083848 844697903 /nfs/dbraw/zinc/69/79/03/844697903.db2.gz LTALXOBTURMFER-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083848 844697910 /nfs/dbraw/zinc/69/79/10/844697910.db2.gz LTALXOBTURMFER-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083848 844697915 /nfs/dbraw/zinc/69/79/15/844697915.db2.gz LTALXOBTURMFER-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090543 844699408 /nfs/dbraw/zinc/69/94/08/844699408.db2.gz XUEFPXTWXZJZNQ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090543 844699411 /nfs/dbraw/zinc/69/94/11/844699411.db2.gz XUEFPXTWXZJZNQ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090543 844699416 /nfs/dbraw/zinc/69/94/16/844699416.db2.gz XUEFPXTWXZJZNQ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249859 844727122 /nfs/dbraw/zinc/72/71/22/844727122.db2.gz VAJJXUQULCYACI-LDBBTLTOSA-N 2 1 351.491 0.306 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001103249859 844727128 /nfs/dbraw/zinc/72/71/28/844727128.db2.gz VAJJXUQULCYACI-LDBBTLTOSA-N 2 1 351.491 0.306 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001103249859 844727138 /nfs/dbraw/zinc/72/71/38/844727138.db2.gz VAJJXUQULCYACI-LDBBTLTOSA-N 2 1 351.491 0.306 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001103396757 844751465 /nfs/dbraw/zinc/75/14/65/844751465.db2.gz INJRGXJPVCMBKJ-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001103396757 844751470 /nfs/dbraw/zinc/75/14/70/844751470.db2.gz INJRGXJPVCMBKJ-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438438 844759190 /nfs/dbraw/zinc/75/91/90/844759190.db2.gz IYRPDYGSXSOFGZ-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438438 844759198 /nfs/dbraw/zinc/75/91/98/844759198.db2.gz IYRPDYGSXSOFGZ-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438438 844759203 /nfs/dbraw/zinc/75/92/03/844759203.db2.gz IYRPDYGSXSOFGZ-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103444650 844760994 /nfs/dbraw/zinc/76/09/94/844760994.db2.gz COFOJUGQOLFBKD-MCIONIFRSA-N 2 1 352.483 0.023 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103550546 844778021 /nfs/dbraw/zinc/77/80/21/844778021.db2.gz WBPQUSXTZYQZBY-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570952 844782695 /nfs/dbraw/zinc/78/26/95/844782695.db2.gz NFGTUZJLRMQETL-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642282 844793213 /nfs/dbraw/zinc/79/32/13/844793213.db2.gz YADSDFCJRDAZSW-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643924 844793745 /nfs/dbraw/zinc/79/37/45/844793745.db2.gz XBGZTIDZBMDSAL-ZIAGYGMSSA-N 2 1 355.508 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643924 844793750 /nfs/dbraw/zinc/79/37/50/844793750.db2.gz XBGZTIDZBMDSAL-ZIAGYGMSSA-N 2 1 355.508 0.691 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644587 844794002 /nfs/dbraw/zinc/79/40/02/844794002.db2.gz HBTXQYDBQDTNAH-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644587 844794010 /nfs/dbraw/zinc/79/40/10/844794010.db2.gz HBTXQYDBQDTNAH-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644587 844794019 /nfs/dbraw/zinc/79/40/19/844794019.db2.gz HBTXQYDBQDTNAH-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103644920 844794957 /nfs/dbraw/zinc/79/49/57/844794957.db2.gz YAMXULZFRKQRNX-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103644920 844794964 /nfs/dbraw/zinc/79/49/64/844794964.db2.gz YAMXULZFRKQRNX-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103644920 844794972 /nfs/dbraw/zinc/79/49/72/844794972.db2.gz YAMXULZFRKQRNX-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719194 844806760 /nfs/dbraw/zinc/80/67/60/844806760.db2.gz UNFMMQDARIDYOE-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719194 844806765 /nfs/dbraw/zinc/80/67/65/844806765.db2.gz UNFMMQDARIDYOE-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719194 844806768 /nfs/dbraw/zinc/80/67/68/844806768.db2.gz UNFMMQDARIDYOE-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718768 844807198 /nfs/dbraw/zinc/80/71/98/844807198.db2.gz DRQVBAKBIRGKJD-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718768 844807206 /nfs/dbraw/zinc/80/72/06/844807206.db2.gz DRQVBAKBIRGKJD-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718768 844807211 /nfs/dbraw/zinc/80/72/11/844807211.db2.gz DRQVBAKBIRGKJD-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723514 844808306 /nfs/dbraw/zinc/80/83/06/844808306.db2.gz NQHAYARQYJZOEK-NVXWUHKLSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC1CCOCC1 ZINC001104033654 844856736 /nfs/dbraw/zinc/85/67/36/844856736.db2.gz BJRRZLCTJAHTMD-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC1CCOCC1 ZINC001104033654 844856745 /nfs/dbraw/zinc/85/67/45/844856745.db2.gz BJRRZLCTJAHTMD-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[C@H](C)N1C[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630415 861506218 /nfs/dbraw/zinc/50/62/18/861506218.db2.gz TYPCVGFWDWPXLT-PKOBYXMFSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001104211218 844877714 /nfs/dbraw/zinc/87/77/14/844877714.db2.gz YHAIPGPRQIOJOT-KCYZZUKISA-N 2 1 350.507 0.679 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104265053 844886748 /nfs/dbraw/zinc/88/67/48/844886748.db2.gz QYTQQVPNOFHMOV-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104286423 844890680 /nfs/dbraw/zinc/89/06/80/844890680.db2.gz CGSPXYZXNFLAFC-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104294389 844891330 /nfs/dbraw/zinc/89/13/30/844891330.db2.gz NEKGAVTUVIWUIT-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104354185 844896919 /nfs/dbraw/zinc/89/69/19/844896919.db2.gz VJCOVDQJKLOSKP-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001104680099 844932431 /nfs/dbraw/zinc/93/24/31/844932431.db2.gz PHPVAULGWKVVFX-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104676828 844932581 /nfs/dbraw/zinc/93/25/81/844932581.db2.gz ZNRXMQVEWJNTNB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]C[C@H]1CCOC1 ZINC001104795873 844944489 /nfs/dbraw/zinc/94/44/89/844944489.db2.gz YPDAAENEFFCCOJ-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908469 844958650 /nfs/dbraw/zinc/95/86/50/844958650.db2.gz XZCHCXYXSGKKGH-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104938340 844961737 /nfs/dbraw/zinc/96/17/37/844961737.db2.gz UQURKDACHOLCOF-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243122 844983928 /nfs/dbraw/zinc/98/39/28/844983928.db2.gz WQEUASOWRKVEIX-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243122 844983934 /nfs/dbraw/zinc/98/39/34/844983934.db2.gz WQEUASOWRKVEIX-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105669054 845015809 /nfs/dbraw/zinc/01/58/09/845015809.db2.gz PBTJNKCYGGAGRU-RWQQGDIJSA-N 2 1 355.523 0.941 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105669044 845016151 /nfs/dbraw/zinc/01/61/51/845016151.db2.gz OXJNYOAQWJIYFZ-FPAYPSAMSA-N 2 1 355.523 0.677 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676299 845018111 /nfs/dbraw/zinc/01/81/11/845018111.db2.gz VLVZYCJZNVJIDF-RWQQGDIJSA-N 2 1 355.523 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001105945352 845064559 /nfs/dbraw/zinc/06/45/59/845064559.db2.gz UKQTYTNGDKWPCI-UPJWGTAASA-N 2 1 364.412 0.443 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106339673 845159014 /nfs/dbraw/zinc/15/90/14/845159014.db2.gz YIEPQCCOQDEBOB-CHWSQXEVSA-N 2 1 352.483 0.023 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)N(C)C ZINC001106668479 845219990 /nfs/dbraw/zinc/21/99/90/845219990.db2.gz MIEDRTCJGVEPHL-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106672186 845221343 /nfs/dbraw/zinc/22/13/43/845221343.db2.gz IVIPHEIMVYYAEU-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001106673325 845222243 /nfs/dbraw/zinc/22/22/43/845222243.db2.gz VOIHIBJJRBGSAN-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106982563 845300381 /nfs/dbraw/zinc/30/03/81/845300381.db2.gz MSZJWXJAWGBZKP-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)C1 ZINC001107012065 845310416 /nfs/dbraw/zinc/31/04/16/845310416.db2.gz JLPOUDCDTNJDIQ-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)C1 ZINC001107012065 845310425 /nfs/dbraw/zinc/31/04/25/845310425.db2.gz JLPOUDCDTNJDIQ-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001107038957 845317019 /nfs/dbraw/zinc/31/70/19/845317019.db2.gz IRQXKIIZLNPWRJ-HUUCEWRRSA-N 2 1 354.474 0.772 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328958 845353877 /nfs/dbraw/zinc/35/38/77/845353877.db2.gz CNXNCINMIVEEEK-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328958 845353888 /nfs/dbraw/zinc/35/38/88/845353888.db2.gz CNXNCINMIVEEEK-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328958 845353897 /nfs/dbraw/zinc/35/38/97/845353897.db2.gz CNXNCINMIVEEEK-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP COC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728152 861559048 /nfs/dbraw/zinc/55/90/48/861559048.db2.gz UTJIVKYBLHLEPH-YJBOKZPZSA-N 2 1 355.479 0.441 20 0 FCADMP COC[C@@H](C(=O)OC)[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728152 861559059 /nfs/dbraw/zinc/55/90/59/861559059.db2.gz UTJIVKYBLHLEPH-YJBOKZPZSA-N 2 1 355.479 0.441 20 0 FCADMP COC[C@H](C(=O)OC)[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728142 861559795 /nfs/dbraw/zinc/55/97/95/861559795.db2.gz UTJIVKYBLHLEPH-CRAIPNDOSA-N 2 1 355.479 0.441 20 0 FCADMP COC[C@H](C(=O)OC)[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728142 861559812 /nfs/dbraw/zinc/55/98/12/861559812.db2.gz UTJIVKYBLHLEPH-CRAIPNDOSA-N 2 1 355.479 0.441 20 0 FCADMP COC[C@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728150 861559996 /nfs/dbraw/zinc/55/99/96/861559996.db2.gz UTJIVKYBLHLEPH-QAPCUYQASA-N 2 1 355.479 0.441 20 0 FCADMP COC[C@H](C(=O)OC)[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728150 861560008 /nfs/dbraw/zinc/56/00/08/861560008.db2.gz UTJIVKYBLHLEPH-QAPCUYQASA-N 2 1 355.479 0.441 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438703 845373146 /nfs/dbraw/zinc/37/31/46/845373146.db2.gz HJPGHHSFZVLELX-HHXXYDBFSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12)C1CC1 ZINC001107530702 845392205 /nfs/dbraw/zinc/39/22/05/845392205.db2.gz HKKSRCKFOWCSEV-VQIMIIECSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001107546448 845396047 /nfs/dbraw/zinc/39/60/47/845396047.db2.gz CREIIFUBHXUFFC-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)C1 ZINC001107546448 845396054 /nfs/dbraw/zinc/39/60/54/845396054.db2.gz CREIIFUBHXUFFC-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)C1 ZINC001107546448 845396057 /nfs/dbraw/zinc/39/60/57/845396057.db2.gz CREIIFUBHXUFFC-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107546676 845396304 /nfs/dbraw/zinc/39/63/04/845396304.db2.gz LHRNIBIDCXTJEO-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107546676 845396311 /nfs/dbraw/zinc/39/63/11/845396311.db2.gz LHRNIBIDCXTJEO-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107546676 845396318 /nfs/dbraw/zinc/39/63/18/845396318.db2.gz LHRNIBIDCXTJEO-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550079 845396541 /nfs/dbraw/zinc/39/65/41/845396541.db2.gz MGLKQNKOYPCXPA-DNVCBOLYSA-N 2 1 350.507 0.825 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550079 845396545 /nfs/dbraw/zinc/39/65/45/845396545.db2.gz MGLKQNKOYPCXPA-DNVCBOLYSA-N 2 1 350.507 0.825 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550079 845396556 /nfs/dbraw/zinc/39/65/56/845396556.db2.gz MGLKQNKOYPCXPA-DNVCBOLYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593450 845404252 /nfs/dbraw/zinc/40/42/52/845404252.db2.gz MTVRUKSDOAQTRM-KVSKMBFKSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnns1)CC2 ZINC001107609174 845407107 /nfs/dbraw/zinc/40/71/07/845407107.db2.gz GMSLISBADWKUEM-NVXWUHKLSA-N 2 1 367.519 0.977 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnns1)CC2 ZINC001107609174 845407110 /nfs/dbraw/zinc/40/71/10/845407110.db2.gz GMSLISBADWKUEM-NVXWUHKLSA-N 2 1 367.519 0.977 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107609387 845407925 /nfs/dbraw/zinc/40/79/25/845407925.db2.gz PYVCFRBBPOYUKR-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107609387 845407936 /nfs/dbraw/zinc/40/79/36/845407936.db2.gz PYVCFRBBPOYUKR-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107609387 845407946 /nfs/dbraw/zinc/40/79/46/845407946.db2.gz PYVCFRBBPOYUKR-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107609387 845407954 /nfs/dbraw/zinc/40/79/54/845407954.db2.gz PYVCFRBBPOYUKR-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP CCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546209 845502417 /nfs/dbraw/zinc/50/24/17/845502417.db2.gz QRNZXHNCIZXWBB-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442871 845654245 /nfs/dbraw/zinc/65/42/45/845654245.db2.gz KKTMXAYODPXONG-NCOADZHNSA-N 2 1 351.491 0.591 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109443960 845655938 /nfs/dbraw/zinc/65/59/38/845655938.db2.gz MOMJTOMCRCDSOZ-BARDWOONSA-N 2 1 350.463 0.197 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109443960 845655944 /nfs/dbraw/zinc/65/59/44/845655944.db2.gz MOMJTOMCRCDSOZ-BARDWOONSA-N 2 1 350.463 0.197 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109653846 845706125 /nfs/dbraw/zinc/70/61/25/845706125.db2.gz JITGAIOUELVFRF-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109653846 845706128 /nfs/dbraw/zinc/70/61/28/845706128.db2.gz JITGAIOUELVFRF-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCO1 ZINC001109847833 845746943 /nfs/dbraw/zinc/74/69/43/845746943.db2.gz JFDREIZLYHKJIX-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCCO1 ZINC001109847833 845746948 /nfs/dbraw/zinc/74/69/48/845746948.db2.gz JFDREIZLYHKJIX-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC ZINC001109865466 845750247 /nfs/dbraw/zinc/75/02/47/845750247.db2.gz RNHGZKOVEQDNED-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001109865466 845750254 /nfs/dbraw/zinc/75/02/54/845750254.db2.gz RNHGZKOVEQDNED-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001109932928 845763305 /nfs/dbraw/zinc/76/33/05/845763305.db2.gz ZJZRJLSGHGEBTP-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109932928 845763310 /nfs/dbraw/zinc/76/33/10/845763310.db2.gz ZJZRJLSGHGEBTP-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109932928 845763314 /nfs/dbraw/zinc/76/33/14/845763314.db2.gz ZJZRJLSGHGEBTP-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001109934177 845763458 /nfs/dbraw/zinc/76/34/58/845763458.db2.gz SJLHGPJYYGHXCJ-WCVJEAGWSA-N 2 1 359.536 0.730 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001109934177 845763464 /nfs/dbraw/zinc/76/34/64/845763464.db2.gz SJLHGPJYYGHXCJ-WCVJEAGWSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001109934177 845763467 /nfs/dbraw/zinc/76/34/67/845763467.db2.gz SJLHGPJYYGHXCJ-WCVJEAGWSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001109934177 845763470 /nfs/dbraw/zinc/76/34/70/845763470.db2.gz SJLHGPJYYGHXCJ-WCVJEAGWSA-N 2 1 359.536 0.730 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001109932560 845763484 /nfs/dbraw/zinc/76/34/84/845763484.db2.gz MOCZCRTVWJELKF-PMPSAXMXSA-N 2 1 372.535 0.085 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001109932560 845763490 /nfs/dbraw/zinc/76/34/90/845763490.db2.gz MOCZCRTVWJELKF-PMPSAXMXSA-N 2 1 372.535 0.085 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001109932560 845763496 /nfs/dbraw/zinc/76/34/96/845763496.db2.gz MOCZCRTVWJELKF-PMPSAXMXSA-N 2 1 372.535 0.085 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001109932560 845763500 /nfs/dbraw/zinc/76/35/00/845763500.db2.gz MOCZCRTVWJELKF-PMPSAXMXSA-N 2 1 372.535 0.085 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110007070 845774209 /nfs/dbraw/zinc/77/42/09/845774209.db2.gz HLOARFKYBFLDPW-CBBWQLFWSA-N 2 1 350.463 0.245 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110007070 845774212 /nfs/dbraw/zinc/77/42/12/845774212.db2.gz HLOARFKYBFLDPW-CBBWQLFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001110017562 845776635 /nfs/dbraw/zinc/77/66/35/845776635.db2.gz CBTXVHIUVNHKPD-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110017562 845776637 /nfs/dbraw/zinc/77/66/37/845776637.db2.gz CBTXVHIUVNHKPD-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110017562 845776642 /nfs/dbraw/zinc/77/66/42/845776642.db2.gz CBTXVHIUVNHKPD-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110188513 845816722 /nfs/dbraw/zinc/81/67/22/845816722.db2.gz DPMAUFPIKLCUOE-SQNIBIBYSA-N 2 1 353.507 0.983 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798132 861613037 /nfs/dbraw/zinc/61/30/37/861613037.db2.gz AYKDBNXPTOTROQ-CRAIPNDOSA-N 2 1 357.495 0.027 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001110694968 845949247 /nfs/dbraw/zinc/94/92/47/845949247.db2.gz VNGHYXDLYLDTKE-NCOADZHNSA-N 2 1 350.507 0.820 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001110694968 845949255 /nfs/dbraw/zinc/94/92/55/845949255.db2.gz VNGHYXDLYLDTKE-NCOADZHNSA-N 2 1 350.507 0.820 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948736 846000755 /nfs/dbraw/zinc/00/07/55/846000755.db2.gz KKUIVQMCANJAPQ-QXSJWSMHSA-N 2 1 351.447 0.684 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948736 846000762 /nfs/dbraw/zinc/00/07/62/846000762.db2.gz KKUIVQMCANJAPQ-QXSJWSMHSA-N 2 1 351.447 0.684 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111077989 846027665 /nfs/dbraw/zinc/02/76/65/846027665.db2.gz FKCPCAJUCWFRJG-OAGGEKHMSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111077989 846027672 /nfs/dbraw/zinc/02/76/72/846027672.db2.gz FKCPCAJUCWFRJG-OAGGEKHMSA-N 2 1 350.463 0.737 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001111097268 846032888 /nfs/dbraw/zinc/03/28/88/846032888.db2.gz QMVUFDOVQHDFAI-MLHJIOFPSA-N 2 1 353.507 0.981 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111233584 846065609 /nfs/dbraw/zinc/06/56/09/846065609.db2.gz RCNFYYBFKJVZFV-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111233584 846065618 /nfs/dbraw/zinc/06/56/18/846065618.db2.gz RCNFYYBFKJVZFV-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111233584 846065623 /nfs/dbraw/zinc/06/56/23/846065623.db2.gz RCNFYYBFKJVZFV-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111233584 846065628 /nfs/dbraw/zinc/06/56/28/846065628.db2.gz RCNFYYBFKJVZFV-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111233145 846066891 /nfs/dbraw/zinc/06/68/91/846066891.db2.gz JDWNTFWVZBITFS-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111233145 846066901 /nfs/dbraw/zinc/06/69/01/846066901.db2.gz JDWNTFWVZBITFS-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111233145 846066909 /nfs/dbraw/zinc/06/69/09/846066909.db2.gz JDWNTFWVZBITFS-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111233145 846066917 /nfs/dbraw/zinc/06/69/17/846066917.db2.gz JDWNTFWVZBITFS-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001111307794 846081440 /nfs/dbraw/zinc/08/14/40/846081440.db2.gz XWFOQMLTOSKRBB-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001111307794 846081448 /nfs/dbraw/zinc/08/14/48/846081448.db2.gz XWFOQMLTOSKRBB-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111307794 846081455 /nfs/dbraw/zinc/08/14/55/846081455.db2.gz XWFOQMLTOSKRBB-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111307794 846081475 /nfs/dbraw/zinc/08/14/75/846081475.db2.gz XWFOQMLTOSKRBB-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276827553 861639280 /nfs/dbraw/zinc/63/92/80/861639280.db2.gz MBFVIAVMYYTTBJ-YJBOKZPZSA-N 2 1 355.479 0.319 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466471 846117592 /nfs/dbraw/zinc/11/75/92/846117592.db2.gz WSDFFLNJNVIIJO-OAGGEKHMSA-N 2 1 353.511 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466471 846117596 /nfs/dbraw/zinc/11/75/96/846117596.db2.gz WSDFFLNJNVIIJO-OAGGEKHMSA-N 2 1 353.511 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466471 846117603 /nfs/dbraw/zinc/11/76/03/846117603.db2.gz WSDFFLNJNVIIJO-OAGGEKHMSA-N 2 1 353.511 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466471 846117610 /nfs/dbraw/zinc/11/76/10/846117610.db2.gz WSDFFLNJNVIIJO-OAGGEKHMSA-N 2 1 353.511 0.756 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778912 846201242 /nfs/dbraw/zinc/20/12/42/846201242.db2.gz OBAUXXLQVUVEQZ-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778912 846201248 /nfs/dbraw/zinc/20/12/48/846201248.db2.gz OBAUXXLQVUVEQZ-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778912 846201259 /nfs/dbraw/zinc/20/12/59/846201259.db2.gz OBAUXXLQVUVEQZ-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778912 846201272 /nfs/dbraw/zinc/20/12/72/846201272.db2.gz OBAUXXLQVUVEQZ-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCS(C)(=O)=O)C2 ZINC001111782548 846203476 /nfs/dbraw/zinc/20/34/76/846203476.db2.gz NOVMCUUCZRVMQF-BQFCYCMXSA-N 2 1 371.547 0.876 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCS(C)(=O)=O)C2 ZINC001111782548 846203487 /nfs/dbraw/zinc/20/34/87/846203487.db2.gz NOVMCUUCZRVMQF-BQFCYCMXSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001111782548 846203496 /nfs/dbraw/zinc/20/34/96/846203496.db2.gz NOVMCUUCZRVMQF-BQFCYCMXSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001111782548 846203506 /nfs/dbraw/zinc/20/35/06/846203506.db2.gz NOVMCUUCZRVMQF-BQFCYCMXSA-N 2 1 371.547 0.876 20 0 FCADMP CC(C)[N@H+]1CCC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276848393 861652342 /nfs/dbraw/zinc/65/23/42/861652342.db2.gz BHQLNSXWCURWFA-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@@H+]1CCC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276848393 861652344 /nfs/dbraw/zinc/65/23/44/861652344.db2.gz BHQLNSXWCURWFA-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CCC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276848393 861652346 /nfs/dbraw/zinc/65/23/46/861652346.db2.gz BHQLNSXWCURWFA-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859855 846233218 /nfs/dbraw/zinc/23/32/18/846233218.db2.gz FEIQOFSTNSAUQR-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859855 846233225 /nfs/dbraw/zinc/23/32/25/846233225.db2.gz FEIQOFSTNSAUQR-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111860149 846233504 /nfs/dbraw/zinc/23/35/04/846233504.db2.gz SCHKHVTZLLVLLA-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111871009 846239745 /nfs/dbraw/zinc/23/97/45/846239745.db2.gz WLJYKZXUDNNTCN-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111871009 846239750 /nfs/dbraw/zinc/23/97/50/846239750.db2.gz WLJYKZXUDNNTCN-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111871009 846239758 /nfs/dbraw/zinc/23/97/58/846239758.db2.gz WLJYKZXUDNNTCN-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870914 846240285 /nfs/dbraw/zinc/24/02/85/846240285.db2.gz RWIOLFNMPBQMCI-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870914 846240292 /nfs/dbraw/zinc/24/02/92/846240292.db2.gz RWIOLFNMPBQMCI-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870914 846240299 /nfs/dbraw/zinc/24/02/99/846240299.db2.gz RWIOLFNMPBQMCI-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870914 846240308 /nfs/dbraw/zinc/24/03/08/846240308.db2.gz RWIOLFNMPBQMCI-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2)[NH+](C)C ZINC001111874940 846241564 /nfs/dbraw/zinc/24/15/64/846241564.db2.gz HYXLVPOHTSUGNF-QOKNQOGYSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC001111905404 846256271 /nfs/dbraw/zinc/25/62/71/846256271.db2.gz AWBSLRAFAUVOKR-LNLFQRSKSA-N 2 1 351.491 0.716 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC001111905404 846256283 /nfs/dbraw/zinc/25/62/83/846256283.db2.gz AWBSLRAFAUVOKR-LNLFQRSKSA-N 2 1 351.491 0.716 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111907713 846256373 /nfs/dbraw/zinc/25/63/73/846256373.db2.gz IPJYGYKWNSYPIN-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111909562 846257747 /nfs/dbraw/zinc/25/77/47/846257747.db2.gz CYBKRZZPVQMLAU-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001111938377 846270469 /nfs/dbraw/zinc/27/04/69/846270469.db2.gz YLQFKPYOMPXZDK-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111983134 846280159 /nfs/dbraw/zinc/28/01/59/846280159.db2.gz COKZMHQGGDEBRF-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111983134 846280169 /nfs/dbraw/zinc/28/01/69/846280169.db2.gz COKZMHQGGDEBRF-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111983134 846280180 /nfs/dbraw/zinc/28/01/80/846280180.db2.gz COKZMHQGGDEBRF-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111983134 846280187 /nfs/dbraw/zinc/28/01/87/846280187.db2.gz COKZMHQGGDEBRF-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP CCOCC[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276874263 861663253 /nfs/dbraw/zinc/66/32/53/861663253.db2.gz GKJXSXLMEORWFB-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CCOCC[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276874263 861663254 /nfs/dbraw/zinc/66/32/54/861663254.db2.gz GKJXSXLMEORWFB-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CCOCC[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276874263 861663258 /nfs/dbraw/zinc/66/32/58/861663258.db2.gz GKJXSXLMEORWFB-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070783 846348759 /nfs/dbraw/zinc/34/87/59/846348759.db2.gz FLWBQYMNTZZIMQ-UTUOFQBUSA-N 2 1 350.385 0.148 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070783 846348767 /nfs/dbraw/zinc/34/87/67/846348767.db2.gz FLWBQYMNTZZIMQ-UTUOFQBUSA-N 2 1 350.385 0.148 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112071105 846348832 /nfs/dbraw/zinc/34/88/32/846348832.db2.gz QUAQMVRMNZWRIX-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070694 846349211 /nfs/dbraw/zinc/34/92/11/846349211.db2.gz BCDVWIJWCSYODX-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070694 846349222 /nfs/dbraw/zinc/34/92/22/846349222.db2.gz BCDVWIJWCSYODX-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112110271 846389345 /nfs/dbraw/zinc/38/93/45/846389345.db2.gz GOXUYOSVPKHADZ-OUAUKWLOSA-N 2 1 356.364 0.131 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114300 846394128 /nfs/dbraw/zinc/39/41/28/846394128.db2.gz JWRUTNODWQIRDG-BZPMIXESSA-N 2 1 364.412 0.442 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112152094 846420093 /nfs/dbraw/zinc/42/00/93/846420093.db2.gz IXKURLNBAUIEHO-MGPQQGTHSA-N 2 1 367.412 0.721 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112152094 846420099 /nfs/dbraw/zinc/42/00/99/846420099.db2.gz IXKURLNBAUIEHO-MGPQQGTHSA-N 2 1 367.412 0.721 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154367 846422157 /nfs/dbraw/zinc/42/21/57/846422157.db2.gz IHQWYAUAOHUDIE-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001112159138 846426042 /nfs/dbraw/zinc/42/60/42/846426042.db2.gz RTHZFVWLZRXOMY-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112160211 846426782 /nfs/dbraw/zinc/42/67/82/846426782.db2.gz YEFWRCJXXRGDIW-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001112160229 846426836 /nfs/dbraw/zinc/42/68/36/846426836.db2.gz YTIQXNIXQGNEHL-CHWSQXEVSA-N 2 1 364.412 0.443 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1)[NH+](C)C ZINC001112167361 846430534 /nfs/dbraw/zinc/43/05/34/846430534.db2.gz LTDGRKLMRRSECJ-UPJWGTAASA-N 2 1 366.428 0.830 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112190207 846449188 /nfs/dbraw/zinc/44/91/88/846449188.db2.gz PXMQTHXPYMHXCT-GRYCIOLGSA-N 2 1 352.401 0.571 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196318 846453699 /nfs/dbraw/zinc/45/36/99/846453699.db2.gz CBWIKMCBXWDJDC-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112196478 846455154 /nfs/dbraw/zinc/45/51/54/846455154.db2.gz MNWHCQNYOQQGTD-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112196478 846455161 /nfs/dbraw/zinc/45/51/61/846455161.db2.gz MNWHCQNYOQQGTD-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001112197343 846455213 /nfs/dbraw/zinc/45/52/13/846455213.db2.gz MENYUBBXMCDSAB-JHJVBQTASA-N 2 1 366.428 0.961 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112198290 846456161 /nfs/dbraw/zinc/45/61/61/846456161.db2.gz NBZKUDWEQJGOJZ-YNEHKIRRSA-N 2 1 355.401 0.314 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C2)C1 ZINC001112208161 846465394 /nfs/dbraw/zinc/46/53/94/846465394.db2.gz OZFPTDWVFKUXDI-UPJWGTAASA-N 2 1 353.385 0.332 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOC)C2)C1 ZINC001112208161 846465399 /nfs/dbraw/zinc/46/53/99/846465399.db2.gz OZFPTDWVFKUXDI-UPJWGTAASA-N 2 1 353.385 0.332 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212202 846469934 /nfs/dbraw/zinc/46/99/34/846469934.db2.gz SFQSPFRCIBPRID-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212202 846469939 /nfs/dbraw/zinc/46/99/39/846469939.db2.gz SFQSPFRCIBPRID-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112212201 846470243 /nfs/dbraw/zinc/47/02/43/846470243.db2.gz SFFNCUGQBGLLCT-CHWSQXEVSA-N 2 1 364.412 0.584 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112212201 846470250 /nfs/dbraw/zinc/47/02/50/846470250.db2.gz SFFNCUGQBGLLCT-CHWSQXEVSA-N 2 1 364.412 0.584 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112284883 846487914 /nfs/dbraw/zinc/48/79/14/846487914.db2.gz CMRYCWQTOKFSQN-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001112516309 846512216 /nfs/dbraw/zinc/51/22/16/846512216.db2.gz CSSRFRVKEQZNRL-SCTDSRPQSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001112516309 846512226 /nfs/dbraw/zinc/51/22/26/846512226.db2.gz CSSRFRVKEQZNRL-SCTDSRPQSA-N 2 1 353.507 0.960 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529562 846516036 /nfs/dbraw/zinc/51/60/36/846516036.db2.gz GASGRCIASIEUJP-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112540238 846518732 /nfs/dbraw/zinc/51/87/32/846518732.db2.gz MRDJPOIMQYGRAB-FCEWJHQRSA-N 2 1 350.507 0.953 20 0 FCADMP COC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546674 846520447 /nfs/dbraw/zinc/52/04/47/846520447.db2.gz YJCXWEMXSKXJQZ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112563375 846525420 /nfs/dbraw/zinc/52/54/20/846525420.db2.gz SKAQWYNKIIZIDD-LNLFQRSKSA-N 2 1 353.507 0.555 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304537 846549470 /nfs/dbraw/zinc/54/94/70/846549470.db2.gz SSNQKFLCIHUYFY-SUJAAXHWSA-N 2 1 351.495 0.081 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114304537 846549479 /nfs/dbraw/zinc/54/94/79/846549479.db2.gz SSNQKFLCIHUYFY-SUJAAXHWSA-N 2 1 351.495 0.081 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114304537 846549487 /nfs/dbraw/zinc/54/94/87/846549487.db2.gz SSNQKFLCIHUYFY-SUJAAXHWSA-N 2 1 351.495 0.081 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001116577401 846710791 /nfs/dbraw/zinc/71/07/91/846710791.db2.gz FHKXQNIVTFBRAL-SOUVJXGZSA-N 2 1 357.520 0.532 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001116577401 846710801 /nfs/dbraw/zinc/71/08/01/846710801.db2.gz FHKXQNIVTFBRAL-SOUVJXGZSA-N 2 1 357.520 0.532 20 0 FCADMP C[C@H](CO)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276973553 861718390 /nfs/dbraw/zinc/71/83/90/861718390.db2.gz DWZHSGVAISMMTK-PKOBYXMFSA-N 2 1 352.523 0.177 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001117091178 846883965 /nfs/dbraw/zinc/88/39/65/846883965.db2.gz AJVVTWHMDUYJRK-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001117091181 846884068 /nfs/dbraw/zinc/88/40/68/846884068.db2.gz AJVVTWHMDUYJRK-ZBFHGGJFSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858683 847187201 /nfs/dbraw/zinc/18/72/01/847187201.db2.gz PPVWYFMJBAFIPG-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858683 847187211 /nfs/dbraw/zinc/18/72/11/847187211.db2.gz PPVWYFMJBAFIPG-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001118059020 847266315 /nfs/dbraw/zinc/26/63/15/847266315.db2.gz MRCHLXPLVRSFOQ-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001118325348 847383057 /nfs/dbraw/zinc/38/30/57/847383057.db2.gz GYSDMHUHVHRVAG-SIIHOXLZSA-N 2 1 350.463 0.550 20 0 FCADMP Cc1cc(F)ncc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277261257 861809065 /nfs/dbraw/zinc/80/90/65/861809065.db2.gz GRIMQQOBNWCLJO-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1cc(F)ncc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277261257 861809087 /nfs/dbraw/zinc/80/90/87/861809087.db2.gz GRIMQQOBNWCLJO-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304970 847806998 /nfs/dbraw/zinc/80/69/98/847806998.db2.gz XPKMJTHOWRPLJC-CHWSQXEVSA-N 2 1 364.412 0.669 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001120642583 848260982 /nfs/dbraw/zinc/26/09/82/848260982.db2.gz SAPLLMOHMWRJKR-SJORKVTESA-N 2 1 353.511 0.163 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001121134220 848321147 /nfs/dbraw/zinc/32/11/47/848321147.db2.gz YRIWPIDDYPUFSZ-KBMGIXFMSA-N 2 1 357.520 0.388 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)n1 ZINC001121142531 848322632 /nfs/dbraw/zinc/32/26/32/848322632.db2.gz DRNNDMMQJOLQKE-UHFFFAOYSA-N 2 1 350.467 0.231 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@H]1C ZINC001121362755 848343891 /nfs/dbraw/zinc/34/38/91/848343891.db2.gz QGWDSPBWAOAJMI-HUUCEWRRSA-N 2 1 350.511 0.906 20 0 FCADMP Cc1nc(F)ccc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277474894 861893593 /nfs/dbraw/zinc/89/35/93/861893593.db2.gz SDQHHBCNLJAGIQ-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1nc(F)ccc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277474894 861893607 /nfs/dbraw/zinc/89/36/07/861893607.db2.gz SDQHHBCNLJAGIQ-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCN2CCC3(C2)OCCO3)C1 ZINC001123708289 848628666 /nfs/dbraw/zinc/62/86/66/848628666.db2.gz RLFZDWXPSAOBEN-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC1(C)CCC[N@H+](CCNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001123708289 848628668 /nfs/dbraw/zinc/62/86/68/848628668.db2.gz RLFZDWXPSAOBEN-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001123708289 848628670 /nfs/dbraw/zinc/62/86/70/848628670.db2.gz RLFZDWXPSAOBEN-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001123708289 848628673 /nfs/dbraw/zinc/62/86/73/848628673.db2.gz RLFZDWXPSAOBEN-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001123708289 848628675 /nfs/dbraw/zinc/62/86/75/848628675.db2.gz RLFZDWXPSAOBEN-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)Nc2nccs2)CC[N@H+]1C ZINC001127695457 848732262 /nfs/dbraw/zinc/73/22/62/848732262.db2.gz MNPDFROCXIBBEL-RWMBFGLXSA-N 2 1 353.492 0.906 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2cccs2)CC[N@H+]1C ZINC001127701472 848732543 /nfs/dbraw/zinc/73/25/43/848732543.db2.gz PQGMKKCSVFDQPG-LSDHHAIUSA-N 2 1 352.504 0.800 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049051 848799376 /nfs/dbraw/zinc/79/93/76/848799376.db2.gz PTSSKFWODDJLDR-KFWWJZLASA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049051 848799379 /nfs/dbraw/zinc/79/93/79/848799379.db2.gz PTSSKFWODDJLDR-KFWWJZLASA-N 2 1 350.467 0.139 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219247 848819488 /nfs/dbraw/zinc/81/94/88/848819488.db2.gz BLXSNICTKISIDP-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276460 848825088 /nfs/dbraw/zinc/82/50/88/848825088.db2.gz MBJYYSGJWNGSPI-PMPSAXMXSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407510 848841172 /nfs/dbraw/zinc/84/11/72/848841172.db2.gz PKNSCNPDIYRFEJ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407510 848841174 /nfs/dbraw/zinc/84/11/74/848841174.db2.gz PKNSCNPDIYRFEJ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407510 848841179 /nfs/dbraw/zinc/84/11/79/848841179.db2.gz PKNSCNPDIYRFEJ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407510 848841183 /nfs/dbraw/zinc/84/11/83/848841183.db2.gz PKNSCNPDIYRFEJ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433847 848844433 /nfs/dbraw/zinc/84/44/33/848844433.db2.gz VYDXPKLOCBTXRW-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433847 848844435 /nfs/dbraw/zinc/84/44/35/848844435.db2.gz VYDXPKLOCBTXRW-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129837466 848902110 /nfs/dbraw/zinc/90/21/10/848902110.db2.gz DXYGFOYTIQLWRQ-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)O1 ZINC001129912469 848914584 /nfs/dbraw/zinc/91/45/84/848914584.db2.gz IJTJEKIGPLBEMD-KOPXEHELSA-N 2 1 368.869 0.091 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)O1 ZINC001129912469 848914589 /nfs/dbraw/zinc/91/45/89/848914589.db2.gz IJTJEKIGPLBEMD-KOPXEHELSA-N 2 1 368.869 0.091 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130011940 848930529 /nfs/dbraw/zinc/93/05/29/848930529.db2.gz GEZBPKSZRFBMNX-QMEZGKNLSA-N 2 1 352.870 0.856 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130014235 848930738 /nfs/dbraw/zinc/93/07/38/848930738.db2.gz FXJWUMBRAYZJLU-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130123429 848947661 /nfs/dbraw/zinc/94/76/61/848947661.db2.gz QSODMWYXOMEHNE-OAGGEKHMSA-N 2 1 352.458 0.711 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132783 848949478 /nfs/dbraw/zinc/94/94/78/848949478.db2.gz OVHLMZKDNMPDPE-RTWRKKLBSA-N 2 1 368.869 0.093 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132783 848949481 /nfs/dbraw/zinc/94/94/81/848949481.db2.gz OVHLMZKDNMPDPE-RTWRKKLBSA-N 2 1 368.869 0.093 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132781 848949650 /nfs/dbraw/zinc/94/96/50/848949650.db2.gz OVHLMZKDNMPDPE-QBJARXBISA-N 2 1 368.869 0.093 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132781 848949658 /nfs/dbraw/zinc/94/96/58/848949658.db2.gz OVHLMZKDNMPDPE-QBJARXBISA-N 2 1 368.869 0.093 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001130184317 848963037 /nfs/dbraw/zinc/96/30/37/848963037.db2.gz LLOKENMBJKTXLM-BZUAXINKSA-N 2 1 356.511 0.445 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001130184317 848963046 /nfs/dbraw/zinc/96/30/46/848963046.db2.gz LLOKENMBJKTXLM-BZUAXINKSA-N 2 1 356.511 0.445 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130247010 848986348 /nfs/dbraw/zinc/98/63/48/848986348.db2.gz QMKXHBGXHFJNJC-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001130247010 848986349 /nfs/dbraw/zinc/98/63/49/848986349.db2.gz QMKXHBGXHFJNJC-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001130247010 848986353 /nfs/dbraw/zinc/98/63/53/848986353.db2.gz QMKXHBGXHFJNJC-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130247010 848986357 /nfs/dbraw/zinc/98/63/57/848986357.db2.gz QMKXHBGXHFJNJC-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130247010 848986359 /nfs/dbraw/zinc/98/63/59/848986359.db2.gz QMKXHBGXHFJNJC-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)CCC)n1 ZINC001130249294 848988771 /nfs/dbraw/zinc/98/87/71/848988771.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130249294 848988777 /nfs/dbraw/zinc/98/87/77/848988777.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130249294 848988785 /nfs/dbraw/zinc/98/87/85/848988785.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCO ZINC001131074147 849077449 /nfs/dbraw/zinc/07/74/49/849077449.db2.gz WNCDYGXCLDONLE-HUUCEWRRSA-N 2 1 351.495 0.274 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131115773 849080682 /nfs/dbraw/zinc/08/06/82/849080682.db2.gz ZZDZEZLRQDZANO-ARFHVFGLSA-N 2 1 351.495 0.681 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130707 849082018 /nfs/dbraw/zinc/08/20/18/849082018.db2.gz ZMFANCLEWVCSMR-HZPDHXFCSA-N 2 1 351.495 0.681 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131562502 849123750 /nfs/dbraw/zinc/12/37/50/849123750.db2.gz VVJONBOLSCEWTF-WDYCEAGBSA-N 2 1 353.507 0.839 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)CN(C)C(N)=[NH2+])CC2)c1 ZINC001144142423 849510480 /nfs/dbraw/zinc/51/04/80/849510480.db2.gz LIZDBZQYXVOLIY-UHFFFAOYSA-N 2 1 351.426 0.740 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCC2CC2)C3)O1 ZINC001147774592 849593033 /nfs/dbraw/zinc/59/30/33/849593033.db2.gz ZBBAYAKIIXVLMX-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCC2CC2)C3)O1 ZINC001147774592 849593038 /nfs/dbraw/zinc/59/30/38/849593038.db2.gz ZBBAYAKIIXVLMX-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCOCC2CC2)C3)O1 ZINC001147774592 849593043 /nfs/dbraw/zinc/59/30/43/849593043.db2.gz ZBBAYAKIIXVLMX-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCOCC2CC2)C3)O1 ZINC001147774592 849593047 /nfs/dbraw/zinc/59/30/47/849593047.db2.gz ZBBAYAKIIXVLMX-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP COCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881596 849649318 /nfs/dbraw/zinc/64/93/18/849649318.db2.gz PBNQLKKCDPAPOQ-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881596 849649320 /nfs/dbraw/zinc/64/93/20/849649320.db2.gz PBNQLKKCDPAPOQ-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881596 849649321 /nfs/dbraw/zinc/64/93/21/849649321.db2.gz PBNQLKKCDPAPOQ-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881596 849649323 /nfs/dbraw/zinc/64/93/23/849649323.db2.gz PBNQLKKCDPAPOQ-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153419756 849746167 /nfs/dbraw/zinc/74/61/67/849746167.db2.gz UNXQUDHAEFHXLA-NXHRZFHOSA-N 2 1 355.523 0.942 20 0 FCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nnc2cc(Br)ccn21 ZINC001155934392 849883030 /nfs/dbraw/zinc/88/30/30/849883030.db2.gz DAEIJDXSOZMCBQ-UHFFFAOYSA-N 2 1 354.212 0.566 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778927 862075337 /nfs/dbraw/zinc/07/53/37/862075337.db2.gz VEQNWNGJKMOZDO-WMZOPIPTSA-N 2 1 357.495 0.029 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778925 862076770 /nfs/dbraw/zinc/07/67/70/862076770.db2.gz VEQNWNGJKMOZDO-FUHWJXTLSA-N 2 1 357.495 0.029 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627007 849985826 /nfs/dbraw/zinc/98/58/26/849985826.db2.gz LBADBGRLKHJAEP-UHFFFAOYSA-N 3 1 352.523 0.679 20 0 FCADMP CCS(=O)(=O)N(c1ccc(N2CC[NH+](C)CC2)nn1)C1CC[NH2+]CC1 ZINC001157892319 850002514 /nfs/dbraw/zinc/00/25/14/850002514.db2.gz SATTXRYWESITNT-UHFFFAOYSA-N 2 1 368.507 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC001157977753 850009025 /nfs/dbraw/zinc/00/90/25/850009025.db2.gz GISYINIFMQWUKU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC2CC2)CC[N@H+]1C ZINC001157977753 850009032 /nfs/dbraw/zinc/00/90/32/850009032.db2.gz GISYINIFMQWUKU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC001157977753 850009037 /nfs/dbraw/zinc/00/90/37/850009037.db2.gz GISYINIFMQWUKU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC001157977753 850009042 /nfs/dbraw/zinc/00/90/42/850009042.db2.gz GISYINIFMQWUKU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001158337408 850037561 /nfs/dbraw/zinc/03/75/61/850037561.db2.gz NCRWRWOTXBANRO-NWDGAFQWSA-N 2 1 352.401 0.491 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCCc2ccsc2)CC[N@H+]1C ZINC001158379558 850041049 /nfs/dbraw/zinc/04/10/49/850041049.db2.gz CFFFKQLZKSDNDR-GDBMZVCRSA-N 2 1 366.531 0.843 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158389709 850045530 /nfs/dbraw/zinc/04/55/30/850045530.db2.gz JANVFMUICOVYAB-BZUAXINKSA-N 2 1 356.511 0.354 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158403850 850047541 /nfs/dbraw/zinc/04/75/41/850047541.db2.gz JVVJOFQDWOPMRY-UONOGXRCSA-N 2 1 355.483 0.048 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001158413398 850049327 /nfs/dbraw/zinc/04/93/27/850049327.db2.gz ZZRSQCWTSFJBKX-QWHCGFSZSA-N 2 1 366.428 0.833 20 0 FCADMP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001158790494 850076682 /nfs/dbraw/zinc/07/66/82/850076682.db2.gz NCOWKFCDVFSHFK-NSHDSACASA-N 2 1 353.492 0.228 20 0 FCADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC3)cs1 ZINC001158976232 850089138 /nfs/dbraw/zinc/08/91/38/850089138.db2.gz FQOXJSZYFIPPGO-INIZCTEOSA-N 2 1 363.531 0.970 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)O1 ZINC001159243603 850104014 /nfs/dbraw/zinc/10/40/14/850104014.db2.gz QKINSZINJYCBJM-IIAWOOMASA-N 3 1 350.467 0.541 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001159481158 850117617 /nfs/dbraw/zinc/11/76/17/850117617.db2.gz IHQBZDKFWHKZFH-DWJUFWINSA-N 2 1 371.547 0.289 20 0 FCADMP Cc1nc(CN2CC[C@]3(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)C2=O)cs1 ZINC001159781105 850135728 /nfs/dbraw/zinc/13/57/28/850135728.db2.gz GIYBKGUFAGWJOL-YOEHRIQHSA-N 2 1 365.503 0.469 20 0 FCADMP N[C@@H](C[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159887996 850143436 /nfs/dbraw/zinc/14/34/36/850143436.db2.gz ZHWHSZOZKKXTSJ-GOEBONIOSA-N 2 1 353.417 0.427 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793990 862096252 /nfs/dbraw/zinc/09/62/52/862096252.db2.gz BXWNZBLBXWCAFX-QAPCUYQASA-N 2 1 355.479 0.175 20 0 FCADMP [NH3+]C[C@@]1(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C[NH+]2CCC1CC2 ZINC001160520804 850179024 /nfs/dbraw/zinc/17/90/24/850179024.db2.gz UOJNUWQZVZTRKC-QGZVFWFLSA-N 2 1 365.503 0.701 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cnn(C(C)(C)C)c2)O1 ZINC001160851049 850204964 /nfs/dbraw/zinc/20/49/64/850204964.db2.gz OBLRIZFVHLNBRY-GDBMZVCRSA-N 2 1 351.495 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cnn(C(C)(C)C)c2)O1 ZINC001160851049 850204976 /nfs/dbraw/zinc/20/49/76/850204976.db2.gz OBLRIZFVHLNBRY-GDBMZVCRSA-N 2 1 351.495 0.953 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196994 850238682 /nfs/dbraw/zinc/23/86/82/850238682.db2.gz VZPLKAGKCSBWAG-QZTJIDSGSA-N 3 1 352.523 0.664 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381619 850255416 /nfs/dbraw/zinc/25/54/16/850255416.db2.gz YNEAMHFODARSHV-SUMDDJOVSA-N 3 1 350.507 0.559 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001162275227 850305073 /nfs/dbraw/zinc/30/50/73/850305073.db2.gz GDHGUQSCVZAGHZ-LSDHHAIUSA-N 2 1 354.495 0.047 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001162275227 850305084 /nfs/dbraw/zinc/30/50/84/850305084.db2.gz GDHGUQSCVZAGHZ-LSDHHAIUSA-N 2 1 354.495 0.047 20 0 FCADMP CCOC(=O)c1cn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)nc1C[NH3+] ZINC001163522125 850371886 /nfs/dbraw/zinc/37/18/86/850371886.db2.gz DQJQFIKLVUCNAV-UHFFFAOYSA-N 2 1 350.810 0.939 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133387 850608115 /nfs/dbraw/zinc/60/81/15/850608115.db2.gz FJYJUABIYWSGFH-ILYVXUQDSA-N 2 1 351.491 0.665 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169133387 850608121 /nfs/dbraw/zinc/60/81/21/850608121.db2.gz FJYJUABIYWSGFH-ILYVXUQDSA-N 2 1 351.491 0.665 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169133387 850608125 /nfs/dbraw/zinc/60/81/25/850608125.db2.gz FJYJUABIYWSGFH-ILYVXUQDSA-N 2 1 351.491 0.665 20 0 FCADMP Cc1nc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170271036 850648902 /nfs/dbraw/zinc/64/89/02/850648902.db2.gz SANDYEWHWJVJRO-CKEIUWERSA-N 2 1 351.451 0.758 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001170878830 850669408 /nfs/dbraw/zinc/66/94/08/850669408.db2.gz RTYYOINPNYLXKG-SOUVJXGZSA-N 2 1 351.499 0.705 20 0 FCADMP Cc1nonc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171486243 850685342 /nfs/dbraw/zinc/68/53/42/850685342.db2.gz JNUAAVJEZWPAMY-XJKCOSOUSA-N 2 1 353.467 0.862 20 0 FCADMP Cc1nonc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171486243 850685351 /nfs/dbraw/zinc/68/53/51/850685351.db2.gz JNUAAVJEZWPAMY-XJKCOSOUSA-N 2 1 353.467 0.862 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485956 850685600 /nfs/dbraw/zinc/68/56/00/850685600.db2.gz GPCWMRPXJUREDS-ARFHVFGLSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485956 850685603 /nfs/dbraw/zinc/68/56/03/850685603.db2.gz GPCWMRPXJUREDS-ARFHVFGLSA-N 2 1 351.495 0.904 20 0 FCADMP CC[N@H+]1CC[C@@H](N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)C1 ZINC001173363424 850720561 /nfs/dbraw/zinc/72/05/61/850720561.db2.gz XIMDSRSZYJILSF-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CC[NH+]1CC[C@@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001173363424 850720567 /nfs/dbraw/zinc/72/05/67/850720567.db2.gz XIMDSRSZYJILSF-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CC[NH+]1CC[C@@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001173363424 850720575 /nfs/dbraw/zinc/72/05/75/850720575.db2.gz XIMDSRSZYJILSF-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP Cc1nonc1C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810804 850932323 /nfs/dbraw/zinc/93/23/23/850932323.db2.gz LIIXUSNIXQNDTO-CZUORRHYSA-N 2 1 353.467 0.863 20 0 FCADMP Cc1nonc1C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810804 850932331 /nfs/dbraw/zinc/93/23/31/850932331.db2.gz LIIXUSNIXQNDTO-CZUORRHYSA-N 2 1 353.467 0.863 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cnn(C)n2)O1 ZINC001178810909 850932895 /nfs/dbraw/zinc/93/28/95/850932895.db2.gz OEGCAASKXNEBQD-GDBMZVCRSA-N 2 1 352.483 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cnn(C)n2)O1 ZINC001178810909 850932903 /nfs/dbraw/zinc/93/29/03/850932903.db2.gz OEGCAASKXNEBQD-GDBMZVCRSA-N 2 1 352.483 0.300 20 0 FCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)NC3C[NH+](C(C)C)C3)CC2)CC1 ZINC001179015017 850945817 /nfs/dbraw/zinc/94/58/17/850945817.db2.gz QPXCQLYRRHPVEL-UHFFFAOYSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CC1 ZINC001180344833 851027117 /nfs/dbraw/zinc/02/71/17/851027117.db2.gz DIJWWRUOXXCDOQ-HDICACEKSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001182676178 851190588 /nfs/dbraw/zinc/19/05/88/851190588.db2.gz DDKQJETYSWCXPM-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001182693064 851192865 /nfs/dbraw/zinc/19/28/65/851192865.db2.gz RCRGBDFUFZLKNP-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001182692324 851192891 /nfs/dbraw/zinc/19/28/91/851192891.db2.gz IRKWSWZKYWRPDC-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+](CC(=O)NC1(C[NH3+])COC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814795 851271865 /nfs/dbraw/zinc/27/18/65/851271865.db2.gz JYPCDHDADPLGAR-CYBMUJFWSA-N 2 1 356.467 0.162 20 0 FCADMP C[N@@H+](CC(=O)NC1(C[NH3+])COC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814795 851271875 /nfs/dbraw/zinc/27/18/75/851271875.db2.gz JYPCDHDADPLGAR-CYBMUJFWSA-N 2 1 356.467 0.162 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250463 851345010 /nfs/dbraw/zinc/34/50/10/851345010.db2.gz GREYRHZUYDHGNX-HZPDHXFCSA-N 2 1 352.523 0.770 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CCCC1 ZINC001188690937 851720300 /nfs/dbraw/zinc/72/03/00/851720300.db2.gz SWGXHWCWQYQNAM-DLBZAZTESA-N 2 1 353.507 0.793 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978604 851739077 /nfs/dbraw/zinc/73/90/77/851739077.db2.gz AAWYKOAVOIAKMX-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062318 851747500 /nfs/dbraw/zinc/74/75/00/851747500.db2.gz RMJNSCVBDISKEY-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127278 851755680 /nfs/dbraw/zinc/75/56/80/851755680.db2.gz QUWKJKISSMUZGC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127278 851755689 /nfs/dbraw/zinc/75/56/89/851755689.db2.gz QUWKJKISSMUZGC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127278 851755694 /nfs/dbraw/zinc/75/56/94/851755694.db2.gz QUWKJKISSMUZGC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127278 851755703 /nfs/dbraw/zinc/75/57/03/851755703.db2.gz QUWKJKISSMUZGC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189276864 851772557 /nfs/dbraw/zinc/77/25/57/851772557.db2.gz LIBJPEBDMXDTHO-JKSUJKDBSA-N 2 1 350.463 0.548 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189276864 851772562 /nfs/dbraw/zinc/77/25/62/851772562.db2.gz LIBJPEBDMXDTHO-JKSUJKDBSA-N 2 1 350.463 0.548 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276959 851772742 /nfs/dbraw/zinc/77/27/42/851772742.db2.gz LZGJOFMZKOGAOE-HRCADAONSA-N 2 1 350.463 0.547 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189276959 851772752 /nfs/dbraw/zinc/77/27/52/851772752.db2.gz LZGJOFMZKOGAOE-HRCADAONSA-N 2 1 350.463 0.547 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21 ZINC001189811327 851827339 /nfs/dbraw/zinc/82/73/39/851827339.db2.gz XKCSRMCTXPSFMQ-GOEBONIOSA-N 2 1 352.504 0.797 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922740 851843205 /nfs/dbraw/zinc/84/32/05/851843205.db2.gz CRXJBLHJRVZPGT-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922740 851843209 /nfs/dbraw/zinc/84/32/09/851843209.db2.gz CRXJBLHJRVZPGT-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922740 851843213 /nfs/dbraw/zinc/84/32/13/851843213.db2.gz CRXJBLHJRVZPGT-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922740 851843218 /nfs/dbraw/zinc/84/32/18/851843218.db2.gz CRXJBLHJRVZPGT-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177567 851870624 /nfs/dbraw/zinc/87/06/24/851870624.db2.gz OWBCRFRABPQHGD-RCCFBDPRSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001190237347 851881325 /nfs/dbraw/zinc/88/13/25/851881325.db2.gz AJMQFRGVXYFTOQ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001190237347 851881327 /nfs/dbraw/zinc/88/13/27/851881327.db2.gz AJMQFRGVXYFTOQ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001190237347 851881330 /nfs/dbraw/zinc/88/13/30/851881330.db2.gz AJMQFRGVXYFTOQ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001190246474 851882129 /nfs/dbraw/zinc/88/21/29/851882129.db2.gz CKPVSHUEOGBDDY-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001190246474 851882132 /nfs/dbraw/zinc/88/21/32/851882132.db2.gz CKPVSHUEOGBDDY-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246474 851882135 /nfs/dbraw/zinc/88/21/35/851882135.db2.gz CKPVSHUEOGBDDY-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246474 851882139 /nfs/dbraw/zinc/88/21/39/851882139.db2.gz CKPVSHUEOGBDDY-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371577 851898422 /nfs/dbraw/zinc/89/84/22/851898422.db2.gz WLPUOCMUNRSVJQ-OWCLPIDISA-N 2 1 359.536 0.540 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371577 851898428 /nfs/dbraw/zinc/89/84/28/851898428.db2.gz WLPUOCMUNRSVJQ-OWCLPIDISA-N 2 1 359.536 0.540 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371577 851898433 /nfs/dbraw/zinc/89/84/33/851898433.db2.gz WLPUOCMUNRSVJQ-OWCLPIDISA-N 2 1 359.536 0.540 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371577 851898442 /nfs/dbraw/zinc/89/84/42/851898442.db2.gz WLPUOCMUNRSVJQ-OWCLPIDISA-N 2 1 359.536 0.540 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480708 851910851 /nfs/dbraw/zinc/91/08/51/851910851.db2.gz HEDYGFBQMDMJNR-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480708 851910856 /nfs/dbraw/zinc/91/08/56/851910856.db2.gz HEDYGFBQMDMJNR-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001190480805 851911012 /nfs/dbraw/zinc/91/10/12/851911012.db2.gz LOIZYFPOKGEDAH-ZWKOTPCHSA-N 2 1 353.507 0.794 20 0 FCADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192990242 852331193 /nfs/dbraw/zinc/33/11/93/852331193.db2.gz WNXMQGXNTPOCKJ-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192990242 852331199 /nfs/dbraw/zinc/33/11/99/852331199.db2.gz WNXMQGXNTPOCKJ-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192990242 852331209 /nfs/dbraw/zinc/33/12/09/852331209.db2.gz WNXMQGXNTPOCKJ-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024400 852339196 /nfs/dbraw/zinc/33/91/96/852339196.db2.gz PRTANFZTCKVJBF-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066808 852348947 /nfs/dbraw/zinc/34/89/47/852348947.db2.gz IQPSXBAYFZYIPF-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)s1 ZINC001193745473 852480580 /nfs/dbraw/zinc/48/05/80/852480580.db2.gz GESPIOPXNAWIPB-ZIAGYGMSSA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)s1 ZINC001193745473 852480583 /nfs/dbraw/zinc/48/05/83/852480583.db2.gz GESPIOPXNAWIPB-ZIAGYGMSSA-N 2 1 352.504 0.906 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CCC1 ZINC001193766798 852485894 /nfs/dbraw/zinc/48/58/94/852485894.db2.gz XSTLVOSTYXPGDS-BRWVUGGUSA-N 2 1 353.507 0.573 20 0 FCADMP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102337 852537149 /nfs/dbraw/zinc/53/71/49/852537149.db2.gz IGLLVACBAGADTP-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001194103161 852537203 /nfs/dbraw/zinc/53/72/03/852537203.db2.gz VTHIOYVBIOBUEQ-BRWVUGGUSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001194103161 852537206 /nfs/dbraw/zinc/53/72/06/852537206.db2.gz VTHIOYVBIOBUEQ-BRWVUGGUSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832753 852658566 /nfs/dbraw/zinc/65/85/66/852658566.db2.gz RXTMNLACVNMOGS-RVKOJVRFSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832753 852658571 /nfs/dbraw/zinc/65/85/71/852658571.db2.gz RXTMNLACVNMOGS-RVKOJVRFSA-N 2 1 351.491 0.447 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)CCCC1 ZINC001195006021 852690930 /nfs/dbraw/zinc/69/09/30/852690930.db2.gz CRWDXLVYDINURT-BRWVUGGUSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640849 852804233 /nfs/dbraw/zinc/80/42/33/852804233.db2.gz QWMOEPXTJHZKIP-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640849 852804240 /nfs/dbraw/zinc/80/42/40/852804240.db2.gz QWMOEPXTJHZKIP-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O)C2 ZINC001196167217 852903628 /nfs/dbraw/zinc/90/36/28/852903628.db2.gz CITLLLNCGVAUMM-DJIMGWMZSA-N 2 1 350.463 0.340 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1O)C2 ZINC001196167217 852903631 /nfs/dbraw/zinc/90/36/31/852903631.db2.gz CITLLLNCGVAUMM-DJIMGWMZSA-N 2 1 350.463 0.340 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196177380 852906042 /nfs/dbraw/zinc/90/60/42/852906042.db2.gz XUTQXKMIUDSLKC-IIDMSEBBSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196177380 852906043 /nfs/dbraw/zinc/90/60/43/852906043.db2.gz XUTQXKMIUDSLKC-IIDMSEBBSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196177380 852906044 /nfs/dbraw/zinc/90/60/44/852906044.db2.gz XUTQXKMIUDSLKC-IIDMSEBBSA-N 2 1 359.486 0.787 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645299 852992156 /nfs/dbraw/zinc/99/21/56/852992156.db2.gz NHHGISUXNFLLRV-QZTJIDSGSA-N 2 1 355.523 0.942 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O ZINC001196946252 853038047 /nfs/dbraw/zinc/03/80/47/853038047.db2.gz KSJUWYCKZSDKEW-IAGOWNOFSA-N 2 1 367.515 0.564 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1O ZINC001196946252 853038054 /nfs/dbraw/zinc/03/80/54/853038054.db2.gz KSJUWYCKZSDKEW-IAGOWNOFSA-N 2 1 367.515 0.564 20 0 FCADMP CC1CCC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001196947397 853038561 /nfs/dbraw/zinc/03/85/61/853038561.db2.gz YNAPPBMXCKHVOS-OPQOLIRYSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CCC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001196947397 853038567 /nfs/dbraw/zinc/03/85/67/853038567.db2.gz YNAPPBMXCKHVOS-OPQOLIRYSA-N 2 1 353.507 0.696 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O)C(C)C ZINC001197024640 853050814 /nfs/dbraw/zinc/05/08/14/853050814.db2.gz GULRWFMXFCIVJD-ZACQAIPSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O)C(C)C ZINC001197024640 853050821 /nfs/dbraw/zinc/05/08/21/853050821.db2.gz GULRWFMXFCIVJD-ZACQAIPSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197493647 853123332 /nfs/dbraw/zinc/12/33/32/853123332.db2.gz WADDTWAKSORVNA-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197493647 853123333 /nfs/dbraw/zinc/12/33/33/853123333.db2.gz WADDTWAKSORVNA-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197493647 853123339 /nfs/dbraw/zinc/12/33/39/853123339.db2.gz WADDTWAKSORVNA-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197493647 853123342 /nfs/dbraw/zinc/12/33/42/853123342.db2.gz WADDTWAKSORVNA-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001197724209 853152968 /nfs/dbraw/zinc/15/29/68/853152968.db2.gz PXQIOKVQAZOVMU-GVDBMIGSSA-N 2 1 359.511 0.057 20 0 FCADMP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791568 853162104 /nfs/dbraw/zinc/16/21/04/853162104.db2.gz FCUOIDAQEHYSMY-KBRIMQKVSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791568 853162109 /nfs/dbraw/zinc/16/21/09/853162109.db2.gz FCUOIDAQEHYSMY-KBRIMQKVSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791209 853162257 /nfs/dbraw/zinc/16/22/57/853162257.db2.gz CCQIIOPPPNIGDQ-IAOVAPTHSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791209 853162259 /nfs/dbraw/zinc/16/22/59/853162259.db2.gz CCQIIOPPPNIGDQ-IAOVAPTHSA-N 2 1 353.438 0.626 20 0 FCADMP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699368 853304219 /nfs/dbraw/zinc/30/42/19/853304219.db2.gz ORUQNNHSXZHVMC-CPRFOPHYSA-N 2 1 353.507 0.862 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057449 853361626 /nfs/dbraw/zinc/36/16/26/853361626.db2.gz JXXOPCZXPGBRTD-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127444 853375276 /nfs/dbraw/zinc/37/52/76/853375276.db2.gz CVRJQMJZRLYHIP-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127444 853375280 /nfs/dbraw/zinc/37/52/80/853375280.db2.gz CVRJQMJZRLYHIP-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546488 853502604 /nfs/dbraw/zinc/50/26/04/853502604.db2.gz DFCUZQBZRJWOML-IXDOHACOSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCOCC(F)(F)F)CC2)O1 ZINC001201231177 853521105 /nfs/dbraw/zinc/52/11/05/853521105.db2.gz ZZZVMFIKBPRZDM-TZMCWYRMSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCOCC(F)(F)F)CC2)O1 ZINC001201231177 853521111 /nfs/dbraw/zinc/52/11/11/853521111.db2.gz ZZZVMFIKBPRZDM-TZMCWYRMSA-N 2 1 367.412 0.865 20 0 FCADMP CC[NH+](CC)CCN1CC[NH+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CC1 ZINC001204638123 853592247 /nfs/dbraw/zinc/59/22/47/853592247.db2.gz WDRUZIXSUNFIGP-YVSFHVDLSA-N 2 1 357.495 0.183 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205515790 853619287 /nfs/dbraw/zinc/61/92/87/853619287.db2.gz DSIXXFZHRSUIHZ-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205515790 853619291 /nfs/dbraw/zinc/61/92/91/853619291.db2.gz DSIXXFZHRSUIHZ-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206980253 853775930 /nfs/dbraw/zinc/77/59/30/853775930.db2.gz OHMCUKWLCMQYNY-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206980253 853775933 /nfs/dbraw/zinc/77/59/33/853775933.db2.gz OHMCUKWLCMQYNY-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992683 853777988 /nfs/dbraw/zinc/77/79/88/853777988.db2.gz AWFHMHWLFYWBJP-KLHDSHLOSA-N 2 1 374.551 0.093 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992683 853777992 /nfs/dbraw/zinc/77/79/92/853777992.db2.gz AWFHMHWLFYWBJP-KLHDSHLOSA-N 2 1 374.551 0.093 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992683 853777996 /nfs/dbraw/zinc/77/79/96/853777996.db2.gz AWFHMHWLFYWBJP-KLHDSHLOSA-N 2 1 374.551 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001207000339 853778461 /nfs/dbraw/zinc/77/84/61/853778461.db2.gz BPVIQPINSVGGCC-QKPAOTATSA-N 2 1 374.551 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001207000339 853778465 /nfs/dbraw/zinc/77/84/65/853778465.db2.gz BPVIQPINSVGGCC-QKPAOTATSA-N 2 1 374.551 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001207000339 853778470 /nfs/dbraw/zinc/77/84/70/853778470.db2.gz BPVIQPINSVGGCC-QKPAOTATSA-N 2 1 374.551 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001207000339 853778474 /nfs/dbraw/zinc/77/84/74/853778474.db2.gz BPVIQPINSVGGCC-QKPAOTATSA-N 2 1 374.551 0.045 20 0 FCADMP O=C(CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC[NH2+]CC1)N1CCCC1 ZINC001207435883 853812882 /nfs/dbraw/zinc/81/28/82/853812882.db2.gz ZHQBSSVBEBCJAT-YQVWRLOYSA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001207443248 853814589 /nfs/dbraw/zinc/81/45/89/853814589.db2.gz PLEIDWIVFPSDPW-DLBZAZTESA-N 2 1 358.552 0.368 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001207483113 853818409 /nfs/dbraw/zinc/81/84/09/853818409.db2.gz TZXATUIYTDIUFK-KZNAEPCWSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563367 853826051 /nfs/dbraw/zinc/82/60/51/853826051.db2.gz RCXBIGJPIFRMTB-UKRRQHHQSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563367 853826053 /nfs/dbraw/zinc/82/60/53/853826053.db2.gz RCXBIGJPIFRMTB-UKRRQHHQSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563367 853826057 /nfs/dbraw/zinc/82/60/57/853826057.db2.gz RCXBIGJPIFRMTB-UKRRQHHQSA-N 2 1 350.463 0.056 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708644 853844764 /nfs/dbraw/zinc/84/47/64/853844764.db2.gz FORJJWZMUDADGW-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708644 853844770 /nfs/dbraw/zinc/84/47/70/853844770.db2.gz FORJJWZMUDADGW-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207708644 853844776 /nfs/dbraw/zinc/84/47/76/853844776.db2.gz FORJJWZMUDADGW-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207708644 853844782 /nfs/dbraw/zinc/84/47/82/853844782.db2.gz FORJJWZMUDADGW-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208124085 853898839 /nfs/dbraw/zinc/89/88/39/853898839.db2.gz XVGYFZBKKUDORV-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208124085 853898840 /nfs/dbraw/zinc/89/88/40/853898840.db2.gz XVGYFZBKKUDORV-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208428515 853932151 /nfs/dbraw/zinc/93/21/51/853932151.db2.gz YTSJMCOEMHSWSQ-BZUAXINKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208428515 853932153 /nfs/dbraw/zinc/93/21/53/853932153.db2.gz YTSJMCOEMHSWSQ-BZUAXINKSA-N 2 1 352.523 0.925 20 0 FCADMP CCN1C[C@@]23C[N@@H+](CC4CC[NH+](CC)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001208596274 853957955 /nfs/dbraw/zinc/95/79/55/853957955.db2.gz ILRIGXJRZNBFCD-IKGGRYGDSA-N 2 1 357.520 0.596 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001208604807 853958849 /nfs/dbraw/zinc/95/88/49/853958849.db2.gz WHVOWCJLJGBFRL-KRWDZBQOSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506849 854032336 /nfs/dbraw/zinc/03/23/36/854032336.db2.gz SZODHBZAYZIJLZ-SJLPKXTDSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506849 854032343 /nfs/dbraw/zinc/03/23/43/854032343.db2.gz SZODHBZAYZIJLZ-SJLPKXTDSA-N 2 1 353.507 0.962 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514428 854034366 /nfs/dbraw/zinc/03/43/66/854034366.db2.gz KLQXUYMSHBKCQZ-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514428 854034369 /nfs/dbraw/zinc/03/43/69/854034369.db2.gz KLQXUYMSHBKCQZ-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001209642663 854043823 /nfs/dbraw/zinc/04/38/23/854043823.db2.gz LITUOYMTTCSSKL-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001209642663 854043827 /nfs/dbraw/zinc/04/38/27/854043827.db2.gz LITUOYMTTCSSKL-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829887 854056907 /nfs/dbraw/zinc/05/69/07/854056907.db2.gz MCJWMNURDACJAC-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297937 854097657 /nfs/dbraw/zinc/09/76/57/854097657.db2.gz KNOXDYMOAUUNQZ-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297937 854097660 /nfs/dbraw/zinc/09/76/60/854097660.db2.gz KNOXDYMOAUUNQZ-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329868 854100672 /nfs/dbraw/zinc/10/06/72/854100672.db2.gz ITZQHETZZQWIRV-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329868 854100676 /nfs/dbraw/zinc/10/06/76/854100676.db2.gz ITZQHETZZQWIRV-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427154 854108813 /nfs/dbraw/zinc/10/88/13/854108813.db2.gz OXKBNVDMCNUCJU-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427154 854108817 /nfs/dbraw/zinc/10/88/17/854108817.db2.gz OXKBNVDMCNUCJU-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426669 854108896 /nfs/dbraw/zinc/10/88/96/854108896.db2.gz KKZWTLOCGSKFCZ-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426669 854108902 /nfs/dbraw/zinc/10/89/02/854108902.db2.gz KKZWTLOCGSKFCZ-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486604 854114064 /nfs/dbraw/zinc/11/40/64/854114064.db2.gz ZLRKKUGREDKMAI-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486604 854114067 /nfs/dbraw/zinc/11/40/67/854114067.db2.gz ZLRKKUGREDKMAI-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486604 854114069 /nfs/dbraw/zinc/11/40/69/854114069.db2.gz ZLRKKUGREDKMAI-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210486604 854114072 /nfs/dbraw/zinc/11/40/72/854114072.db2.gz ZLRKKUGREDKMAI-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001211039299 854149063 /nfs/dbraw/zinc/14/90/63/854149063.db2.gz REZGISMGIRGVRU-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001211039299 854149067 /nfs/dbraw/zinc/14/90/67/854149067.db2.gz REZGISMGIRGVRU-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1C ZINC001211046276 854150411 /nfs/dbraw/zinc/15/04/11/854150411.db2.gz LROKVLFPZILHCO-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001211375006 854185596 /nfs/dbraw/zinc/18/55/96/854185596.db2.gz VRKWRFZTYABQRR-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001211375006 854185600 /nfs/dbraw/zinc/18/56/00/854185600.db2.gz VRKWRFZTYABQRR-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001211375006 854185603 /nfs/dbraw/zinc/18/56/03/854185603.db2.gz VRKWRFZTYABQRR-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001211375006 854185608 /nfs/dbraw/zinc/18/56/08/854185608.db2.gz VRKWRFZTYABQRR-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211429568 854196463 /nfs/dbraw/zinc/19/64/63/854196463.db2.gz SMEYVARJLVBRMG-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211429568 854196468 /nfs/dbraw/zinc/19/64/68/854196468.db2.gz SMEYVARJLVBRMG-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC ZINC001212353258 854447768 /nfs/dbraw/zinc/44/77/68/854447768.db2.gz NUBMGBBCYCACDB-ARFHVFGLSA-N 2 1 355.458 0.378 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001212353258 854447778 /nfs/dbraw/zinc/44/77/78/854447778.db2.gz NUBMGBBCYCACDB-ARFHVFGLSA-N 2 1 355.458 0.378 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416491 854470715 /nfs/dbraw/zinc/47/07/15/854470715.db2.gz MKENKPQLXHOUJO-KFWWJZLASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416491 854470718 /nfs/dbraw/zinc/47/07/18/854470718.db2.gz MKENKPQLXHOUJO-KFWWJZLASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416491 854470720 /nfs/dbraw/zinc/47/07/20/854470720.db2.gz MKENKPQLXHOUJO-KFWWJZLASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416491 854470724 /nfs/dbraw/zinc/47/07/24/854470724.db2.gz MKENKPQLXHOUJO-KFWWJZLASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212450903 854484052 /nfs/dbraw/zinc/48/40/52/854484052.db2.gz FAYTVJFPQBRHBV-QBPKDAKJSA-N 2 1 357.495 0.336 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212450903 854484059 /nfs/dbraw/zinc/48/40/59/854484059.db2.gz FAYTVJFPQBRHBV-QBPKDAKJSA-N 2 1 357.495 0.336 20 0 FCADMP CO[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212450903 854484065 /nfs/dbraw/zinc/48/40/65/854484065.db2.gz FAYTVJFPQBRHBV-QBPKDAKJSA-N 2 1 357.495 0.336 20 0 FCADMP CO[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212450903 854484072 /nfs/dbraw/zinc/48/40/72/854484072.db2.gz FAYTVJFPQBRHBV-QBPKDAKJSA-N 2 1 357.495 0.336 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001212483891 854497379 /nfs/dbraw/zinc/49/73/79/854497379.db2.gz XKSIXBCJBICZQM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001212483891 854497389 /nfs/dbraw/zinc/49/73/89/854497389.db2.gz XKSIXBCJBICZQM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001212483891 854497395 /nfs/dbraw/zinc/49/73/95/854497395.db2.gz XKSIXBCJBICZQM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001212483891 854497403 /nfs/dbraw/zinc/49/74/03/854497403.db2.gz XKSIXBCJBICZQM-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204613 854531843 /nfs/dbraw/zinc/53/18/43/854531843.db2.gz VGWGDINUNHTOKU-HZPDHXFCSA-N 2 1 352.479 0.983 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329057 854577311 /nfs/dbraw/zinc/57/73/11/854577311.db2.gz OWFUBNGRDITPPB-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329057 854577317 /nfs/dbraw/zinc/57/73/17/854577317.db2.gz OWFUBNGRDITPPB-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329057 854577321 /nfs/dbraw/zinc/57/73/21/854577321.db2.gz OWFUBNGRDITPPB-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329057 854577323 /nfs/dbraw/zinc/57/73/23/854577323.db2.gz OWFUBNGRDITPPB-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374406 854592902 /nfs/dbraw/zinc/59/29/02/854592902.db2.gz FQDCARGDKJMZOX-BRWVUGGUSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374406 854592907 /nfs/dbraw/zinc/59/29/07/854592907.db2.gz FQDCARGDKJMZOX-BRWVUGGUSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378621 854594992 /nfs/dbraw/zinc/59/49/92/854594992.db2.gz ZICACSPEKKLRSZ-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446144 854619927 /nfs/dbraw/zinc/61/99/27/854619927.db2.gz BSVNTFCJJMASIV-HZPDHXFCSA-N 2 1 359.511 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446144 854619928 /nfs/dbraw/zinc/61/99/28/854619928.db2.gz BSVNTFCJJMASIV-HZPDHXFCSA-N 2 1 359.511 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446144 854619929 /nfs/dbraw/zinc/61/99/29/854619929.db2.gz BSVNTFCJJMASIV-HZPDHXFCSA-N 2 1 359.511 0.443 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1)OC ZINC001213638555 854694439 /nfs/dbraw/zinc/69/44/39/854694439.db2.gz UBSCPSQLNZHQSP-USXIJHARSA-N 2 1 357.495 0.338 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213678123 854712365 /nfs/dbraw/zinc/71/23/65/854712365.db2.gz FTQYFXPFGDGWOY-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213678123 854712371 /nfs/dbraw/zinc/71/23/71/854712371.db2.gz FTQYFXPFGDGWOY-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213678123 854712378 /nfs/dbraw/zinc/71/23/78/854712378.db2.gz FTQYFXPFGDGWOY-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336161 854927511 /nfs/dbraw/zinc/92/75/11/854927511.db2.gz WMABULDVGOXJTF-OAGGEKHMSA-N 2 1 359.536 0.730 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001214668242 854988831 /nfs/dbraw/zinc/98/88/31/854988831.db2.gz YPSDJTPBSXOQTK-QKPAOTATSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214889291 855028868 /nfs/dbraw/zinc/02/88/68/855028868.db2.gz IQMACHBBOPCTLI-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001215003797 855051018 /nfs/dbraw/zinc/05/10/18/855051018.db2.gz KLLLABNZAHHFSQ-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215036279 855057077 /nfs/dbraw/zinc/05/70/77/855057077.db2.gz VEYUCDHDBRYRPD-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)CC2 ZINC001215414679 855112094 /nfs/dbraw/zinc/11/20/94/855112094.db2.gz ZTOTTXOCLFIGSA-XNRPHZJLSA-N 2 1 368.503 0.235 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001215460606 855118203 /nfs/dbraw/zinc/11/82/03/855118203.db2.gz AISFDAFEWLURTK-SRCQZFHVSA-N 2 1 350.438 0.740 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001215539864 855126317 /nfs/dbraw/zinc/12/63/17/855126317.db2.gz AVRHXKOLYWYYKH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001215544263 855127342 /nfs/dbraw/zinc/12/73/42/855127342.db2.gz MRVHWCKYTHNYJU-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215774537 855144783 /nfs/dbraw/zinc/14/47/83/855144783.db2.gz RIHFYJWIAULCAT-OAGGEKHMSA-N 2 1 359.536 0.730 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215774537 855144786 /nfs/dbraw/zinc/14/47/86/855144786.db2.gz RIHFYJWIAULCAT-OAGGEKHMSA-N 2 1 359.536 0.730 20 0 FCADMP CCCC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001215938739 855158824 /nfs/dbraw/zinc/15/88/24/855158824.db2.gz LULNBTOWIZPWEB-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216226080 855180296 /nfs/dbraw/zinc/18/02/96/855180296.db2.gz MDSDKKMKLRUFFH-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216217560 855180424 /nfs/dbraw/zinc/18/04/24/855180424.db2.gz YWLQJWBLIQUMAR-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1 ZINC001216217292 855180558 /nfs/dbraw/zinc/18/05/58/855180558.db2.gz PBYGPBKXGZIJPO-TZMCWYRMSA-N 2 1 351.451 0.700 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216507078 855209726 /nfs/dbraw/zinc/20/97/26/855209726.db2.gz RNRAKOICVBWJBV-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216515031 855210829 /nfs/dbraw/zinc/21/08/29/855210829.db2.gz NDQYHDMQCJELEO-UKRRQHHQSA-N 2 1 351.447 0.927 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)ncn2)CC1 ZINC001218571836 855442408 /nfs/dbraw/zinc/44/24/08/855442408.db2.gz ARDGHOYQNKKWGL-CYBMUJFWSA-N 2 1 350.467 0.699 20 0 FCADMP Nc1cn(C(=O)[C@@H]([NH3+])c2ccsc2)ccc1=[NH+]CCN1CCOCC1 ZINC001218622894 855451775 /nfs/dbraw/zinc/45/17/75/855451775.db2.gz WQXCRXOCJMQJHM-INIZCTEOSA-N 2 1 361.471 0.705 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21)[NH+](CC)CC ZINC001218623565 855453051 /nfs/dbraw/zinc/45/30/51/855453051.db2.gz BMVXQPKLCOJDPW-IXDOHACOSA-N 2 1 357.495 0.027 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21)[NH+](CC)CC ZINC001218623565 855453057 /nfs/dbraw/zinc/45/30/57/855453057.db2.gz BMVXQPKLCOJDPW-IXDOHACOSA-N 2 1 357.495 0.027 20 0 FCADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650740 855458997 /nfs/dbraw/zinc/45/89/97/855458997.db2.gz KCHZOXOPKCKNAA-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650740 855459003 /nfs/dbraw/zinc/45/90/03/855459003.db2.gz KCHZOXOPKCKNAA-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001218965454 855504506 /nfs/dbraw/zinc/50/45/06/855504506.db2.gz KVJNUGRPRHLNGQ-UONOGXRCSA-N 2 1 359.417 0.276 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001218965454 855504509 /nfs/dbraw/zinc/50/45/09/855504509.db2.gz KVJNUGRPRHLNGQ-UONOGXRCSA-N 2 1 359.417 0.276 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032136 855518816 /nfs/dbraw/zinc/51/88/16/855518816.db2.gz RHHABGIJSHUKDC-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032136 855518824 /nfs/dbraw/zinc/51/88/24/855518824.db2.gz RHHABGIJSHUKDC-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032136 855518828 /nfs/dbraw/zinc/51/88/28/855518828.db2.gz RHHABGIJSHUKDC-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032136 855518833 /nfs/dbraw/zinc/51/88/33/855518833.db2.gz RHHABGIJSHUKDC-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001219680342 855768491 /nfs/dbraw/zinc/76/84/91/855768491.db2.gz DATVMJXRTWBRGQ-MRXNPFEDSA-N 2 1 366.487 0.076 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219724374 855785431 /nfs/dbraw/zinc/78/54/31/855785431.db2.gz JEYRSRBKOVRPLB-KFWWJZLASA-N 2 1 358.483 0.527 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219724374 855785437 /nfs/dbraw/zinc/78/54/37/855785437.db2.gz JEYRSRBKOVRPLB-KFWWJZLASA-N 2 1 358.483 0.527 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732172 855789816 /nfs/dbraw/zinc/78/98/16/855789816.db2.gz PKIKIYLWVPTUIG-BBWFWOEESA-N 2 1 359.486 0.644 20 0 FCADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794913 855816277 /nfs/dbraw/zinc/81/62/77/855816277.db2.gz SNHDXMGKFSMAPO-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794913 855816283 /nfs/dbraw/zinc/81/62/83/855816283.db2.gz SNHDXMGKFSMAPO-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794913 855816290 /nfs/dbraw/zinc/81/62/90/855816290.db2.gz SNHDXMGKFSMAPO-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219829742 855835073 /nfs/dbraw/zinc/83/50/73/855835073.db2.gz CMAVHFHBIQCWQS-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219829742 855835075 /nfs/dbraw/zinc/83/50/75/855835075.db2.gz CMAVHFHBIQCWQS-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219829742 855835080 /nfs/dbraw/zinc/83/50/80/855835080.db2.gz CMAVHFHBIQCWQS-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867985 855853609 /nfs/dbraw/zinc/85/36/09/855853609.db2.gz WEYYSVUMPRPQJN-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867833 855854142 /nfs/dbraw/zinc/85/41/42/855854142.db2.gz SGUNVWKBHIANNL-SJORKVTESA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219927881 855881839 /nfs/dbraw/zinc/88/18/39/855881839.db2.gz GSLASHKPWYTCKC-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219927881 855881844 /nfs/dbraw/zinc/88/18/44/855881844.db2.gz GSLASHKPWYTCKC-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219927881 855881850 /nfs/dbraw/zinc/88/18/50/855881850.db2.gz GSLASHKPWYTCKC-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219927881 855881855 /nfs/dbraw/zinc/88/18/55/855881855.db2.gz GSLASHKPWYTCKC-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220058080 855937528 /nfs/dbraw/zinc/93/75/28/855937528.db2.gz SAWOYASZMAMOKN-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203463 856007200 /nfs/dbraw/zinc/00/72/00/856007200.db2.gz HCTHBHIHMFRKMU-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203463 856007202 /nfs/dbraw/zinc/00/72/02/856007202.db2.gz HCTHBHIHMFRKMU-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203463 856007204 /nfs/dbraw/zinc/00/72/04/856007204.db2.gz HCTHBHIHMFRKMU-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]2O)C1 ZINC001220203463 856007206 /nfs/dbraw/zinc/00/72/06/856007206.db2.gz HCTHBHIHMFRKMU-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001220220569 856017418 /nfs/dbraw/zinc/01/74/18/856017418.db2.gz WBVUORGYYOEGHH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)CC[N@H+]1C ZINC001220220569 856017424 /nfs/dbraw/zinc/01/74/24/856017424.db2.gz WBVUORGYYOEGHH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001220220569 856017430 /nfs/dbraw/zinc/01/74/30/856017430.db2.gz WBVUORGYYOEGHH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001220220569 856017434 /nfs/dbraw/zinc/01/74/34/856017434.db2.gz WBVUORGYYOEGHH-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220253785 856030974 /nfs/dbraw/zinc/03/09/74/856030974.db2.gz DBJFZGIUABHHIC-NEPJUHHUSA-N 2 1 352.401 0.763 20 0 FCADMP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220315700 856061256 /nfs/dbraw/zinc/06/12/56/856061256.db2.gz HFKNJKZMRPNDBW-GJYPPUQNSA-N 3 1 350.507 0.478 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369859 856088825 /nfs/dbraw/zinc/08/88/25/856088825.db2.gz VFRVSYLRARWKTR-XHSDSOJGSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369859 856088829 /nfs/dbraw/zinc/08/88/29/856088829.db2.gz VFRVSYLRARWKTR-XHSDSOJGSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369859 856088832 /nfs/dbraw/zinc/08/88/32/856088832.db2.gz VFRVSYLRARWKTR-XHSDSOJGSA-N 2 1 355.523 0.941 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001220476477 856145279 /nfs/dbraw/zinc/14/52/79/856145279.db2.gz IZXLUBGLBMFGMY-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001220476477 856145283 /nfs/dbraw/zinc/14/52/83/856145283.db2.gz IZXLUBGLBMFGMY-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O ZINC001220547984 856177938 /nfs/dbraw/zinc/17/79/38/856177938.db2.gz QNBROTAINHIADT-SJORKVTESA-N 2 1 359.486 0.790 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001220547984 856177951 /nfs/dbraw/zinc/17/79/51/856177951.db2.gz QNBROTAINHIADT-SJORKVTESA-N 2 1 359.486 0.790 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220575011 856190695 /nfs/dbraw/zinc/19/06/95/856190695.db2.gz MVQVZVHUIAASLI-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)cs1 ZINC001220643286 856216888 /nfs/dbraw/zinc/21/68/88/856216888.db2.gz YREREOUBLRJTMB-SJORKVTESA-N 2 1 367.515 0.829 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)cs1 ZINC001220643286 856216891 /nfs/dbraw/zinc/21/68/91/856216891.db2.gz YREREOUBLRJTMB-SJORKVTESA-N 2 1 367.515 0.829 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711139 856256274 /nfs/dbraw/zinc/25/62/74/856256274.db2.gz KYOSGVDDQLATAN-HIFRSBDPSA-N 2 1 365.865 0.070 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001220716312 856260210 /nfs/dbraw/zinc/26/02/10/856260210.db2.gz DJQGSQNBQLFRPN-XQLPTFJDSA-N 2 1 354.495 0.377 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220806885 856310313 /nfs/dbraw/zinc/31/03/13/856310313.db2.gz LGQNNXDIHCCTOJ-XQQFMLRXSA-N 2 1 355.401 0.193 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220806885 856310326 /nfs/dbraw/zinc/31/03/26/856310326.db2.gz LGQNNXDIHCCTOJ-XQQFMLRXSA-N 2 1 355.401 0.193 20 0 FCADMP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220870199 856348843 /nfs/dbraw/zinc/34/88/43/856348843.db2.gz IXIDKORBJQNMKG-LLVKDONJSA-N 2 1 353.224 0.043 20 0 FCADMP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1=O)Cc1csc2ccccc12 ZINC001220872577 856352182 /nfs/dbraw/zinc/35/21/82/856352182.db2.gz ZPNOYDYAZYNBIW-AWEZNQCLSA-N 2 1 360.483 0.709 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221073537 856449645 /nfs/dbraw/zinc/44/96/45/856449645.db2.gz ZTDTZSGXTYCXOY-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081075 856452441 /nfs/dbraw/zinc/45/24/41/856452441.db2.gz DRNNPIKHCZTXJE-OAGGEKHMSA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081075 856452448 /nfs/dbraw/zinc/45/24/48/856452448.db2.gz DRNNPIKHCZTXJE-OAGGEKHMSA-N 2 1 354.495 0.068 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001221091257 856458213 /nfs/dbraw/zinc/45/82/13/856458213.db2.gz HSGDGPLUHRASIU-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001221091257 856458214 /nfs/dbraw/zinc/45/82/14/856458214.db2.gz HSGDGPLUHRASIU-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001221091257 856458218 /nfs/dbraw/zinc/45/82/18/856458218.db2.gz HSGDGPLUHRASIU-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001221091257 856458221 /nfs/dbraw/zinc/45/82/21/856458221.db2.gz HSGDGPLUHRASIU-SJORKVTESA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091584 856460535 /nfs/dbraw/zinc/46/05/35/856460535.db2.gz REBQDQZSJSONKW-IXDOHACOSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091584 856460538 /nfs/dbraw/zinc/46/05/38/856460538.db2.gz REBQDQZSJSONKW-IXDOHACOSA-N 2 1 366.531 0.967 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001221154206 856487029 /nfs/dbraw/zinc/48/70/29/856487029.db2.gz GXUMJDQEFPTIMN-KSZLIROESA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001221158550 856490051 /nfs/dbraw/zinc/49/00/51/856490051.db2.gz LWKDAHXUARHOJP-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccc(Br)cc1 ZINC001221364182 856554588 /nfs/dbraw/zinc/55/45/88/856554588.db2.gz RMTGNVBWZIIMTJ-RYUDHWBXSA-N 2 1 358.236 0.846 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414583 856560447 /nfs/dbraw/zinc/56/04/47/856560447.db2.gz VEKZQCREQXWGPA-JYJNAYRXSA-N 2 1 355.866 0.798 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631348 856630681 /nfs/dbraw/zinc/63/06/81/856630681.db2.gz MBUGNMMPMOTQOD-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631348 856630688 /nfs/dbraw/zinc/63/06/88/856630688.db2.gz MBUGNMMPMOTQOD-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669163 856647011 /nfs/dbraw/zinc/64/70/11/856647011.db2.gz BKEVFVALOLTIFW-IAGOWNOFSA-N 2 1 351.491 0.811 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715145 856661715 /nfs/dbraw/zinc/66/17/15/856661715.db2.gz DCYURJUBMTZSSQ-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715145 856661720 /nfs/dbraw/zinc/66/17/20/856661720.db2.gz DCYURJUBMTZSSQ-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714237 856662257 /nfs/dbraw/zinc/66/22/57/856662257.db2.gz UORPIZYSDYNECM-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001221950629 856745738 /nfs/dbraw/zinc/74/57/38/856745738.db2.gz QEPASVRLANBZNQ-RCCFBDPRSA-N 2 1 353.507 0.914 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962389 856750205 /nfs/dbraw/zinc/75/02/05/856750205.db2.gz AUUJXWPMUBDYMT-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968015 856753051 /nfs/dbraw/zinc/75/30/51/856753051.db2.gz CHNRSXSOTKAMPX-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968015 856753056 /nfs/dbraw/zinc/75/30/56/856753056.db2.gz CHNRSXSOTKAMPX-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968015 856753063 /nfs/dbraw/zinc/75/30/63/856753063.db2.gz CHNRSXSOTKAMPX-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968015 856753071 /nfs/dbraw/zinc/75/30/71/856753071.db2.gz CHNRSXSOTKAMPX-ZMSDIMECSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046860 856783998 /nfs/dbraw/zinc/78/39/98/856783998.db2.gz ZUTNDISFYZSCOZ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046860 856784004 /nfs/dbraw/zinc/78/40/04/856784004.db2.gz ZUTNDISFYZSCOZ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053483 856788712 /nfs/dbraw/zinc/78/87/12/856788712.db2.gz SBGNTUIJQBCVNS-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053483 856788718 /nfs/dbraw/zinc/78/87/18/856788718.db2.gz SBGNTUIJQBCVNS-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053483 856788725 /nfs/dbraw/zinc/78/87/25/856788725.db2.gz SBGNTUIJQBCVNS-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438105 856839319 /nfs/dbraw/zinc/83/93/19/856839319.db2.gz HLGXXXVXWXEFBH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438105 856839326 /nfs/dbraw/zinc/83/93/26/856839326.db2.gz HLGXXXVXWXEFBH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222438105 856839330 /nfs/dbraw/zinc/83/93/30/856839330.db2.gz HLGXXXVXWXEFBH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222438105 856839336 /nfs/dbraw/zinc/83/93/36/856839336.db2.gz HLGXXXVXWXEFBH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463489 856843646 /nfs/dbraw/zinc/84/36/46/856843646.db2.gz PGFNAHQUGBMTDR-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463489 856843655 /nfs/dbraw/zinc/84/36/55/856843655.db2.gz PGFNAHQUGBMTDR-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463489 856843661 /nfs/dbraw/zinc/84/36/61/856843661.db2.gz PGFNAHQUGBMTDR-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001222463489 856843666 /nfs/dbraw/zinc/84/36/66/856843666.db2.gz PGFNAHQUGBMTDR-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1)C1CCC1 ZINC001222897953 856882145 /nfs/dbraw/zinc/88/21/45/856882145.db2.gz PCVLNDXVHYFJML-WBVHZDCISA-N 2 1 371.547 0.828 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1)C1CCC1 ZINC001222897953 856882156 /nfs/dbraw/zinc/88/21/56/856882156.db2.gz PCVLNDXVHYFJML-WBVHZDCISA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1)C1CCC1 ZINC001222897953 856882161 /nfs/dbraw/zinc/88/21/61/856882161.db2.gz PCVLNDXVHYFJML-WBVHZDCISA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1)C1CCC1 ZINC001222897953 856882168 /nfs/dbraw/zinc/88/21/68/856882168.db2.gz PCVLNDXVHYFJML-WBVHZDCISA-N 2 1 371.547 0.828 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1)[NH+](C)C ZINC001222959244 856885089 /nfs/dbraw/zinc/88/50/89/856885089.db2.gz RZOZOUQDOWPCID-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354635 856909827 /nfs/dbraw/zinc/90/98/27/856909827.db2.gz OPUIEEALIZXVHW-YVSFHVDLSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354635 856909833 /nfs/dbraw/zinc/90/98/33/856909833.db2.gz OPUIEEALIZXVHW-YVSFHVDLSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354635 856909843 /nfs/dbraw/zinc/90/98/43/856909843.db2.gz OPUIEEALIZXVHW-YVSFHVDLSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387748 856912431 /nfs/dbraw/zinc/91/24/31/856912431.db2.gz MLVMWMCCFCDISD-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387748 856912437 /nfs/dbraw/zinc/91/24/37/856912437.db2.gz MLVMWMCCFCDISD-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001223505959 856921096 /nfs/dbraw/zinc/92/10/96/856921096.db2.gz VJADRZHNUHIVRN-SJORKVTESA-N 2 1 353.507 0.650 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001223505959 856921101 /nfs/dbraw/zinc/92/11/01/856921101.db2.gz VJADRZHNUHIVRN-SJORKVTESA-N 2 1 353.507 0.650 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001223505959 856921106 /nfs/dbraw/zinc/92/11/06/856921106.db2.gz VJADRZHNUHIVRN-SJORKVTESA-N 2 1 353.507 0.650 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500396 856921252 /nfs/dbraw/zinc/92/12/52/856921252.db2.gz SAJQTKOIHOKIGK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500396 856921257 /nfs/dbraw/zinc/92/12/57/856921257.db2.gz SAJQTKOIHOKIGK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500396 856921263 /nfs/dbraw/zinc/92/12/63/856921263.db2.gz SAJQTKOIHOKIGK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225346068 857036252 /nfs/dbraw/zinc/03/62/52/857036252.db2.gz IJOVQMKLNBLVRF-BZUAXINKSA-N 2 1 353.511 0.805 20 0 FCADMP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226775652 857126024 /nfs/dbraw/zinc/12/60/24/857126024.db2.gz VQDHNYZXRKHEKS-KFWWJZLASA-N 2 1 368.503 0.822 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001226819142 857127933 /nfs/dbraw/zinc/12/79/33/857127933.db2.gz VOLQRNXIKWSFLQ-IACUBPJLSA-N 2 1 353.467 0.071 20 0 FCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354325 857155933 /nfs/dbraw/zinc/15/59/33/857155933.db2.gz ARISWFSHGZLJDW-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354325 857155937 /nfs/dbraw/zinc/15/59/37/857155937.db2.gz ARISWFSHGZLJDW-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001227354325 857155941 /nfs/dbraw/zinc/15/59/41/857155941.db2.gz ARISWFSHGZLJDW-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001228168038 857194377 /nfs/dbraw/zinc/19/43/77/857194377.db2.gz ULMMEWULFDQVSX-BRWVUGGUSA-N 2 1 357.495 0.122 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001228168038 857194382 /nfs/dbraw/zinc/19/43/82/857194382.db2.gz ULMMEWULFDQVSX-BRWVUGGUSA-N 2 1 357.495 0.122 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127232 857252236 /nfs/dbraw/zinc/25/22/36/857252236.db2.gz TWWFCRFDWANACC-BRWVUGGUSA-N 2 1 352.479 0.996 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229524672 857273199 /nfs/dbraw/zinc/27/31/99/857273199.db2.gz QNGWCCZZWCFIPR-GVDBMIGSSA-N 2 1 359.511 0.369 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229868951 857290439 /nfs/dbraw/zinc/29/04/39/857290439.db2.gz QWGSFVWWWZMAFC-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229868951 857290445 /nfs/dbraw/zinc/29/04/45/857290445.db2.gz QWGSFVWWWZMAFC-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001230138009 857305906 /nfs/dbraw/zinc/30/59/06/857305906.db2.gz BLHKTUUDIHRXGI-ARFHVFGLSA-N 2 1 371.547 0.780 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001230274569 857322455 /nfs/dbraw/zinc/32/24/55/857322455.db2.gz AABRRZDBIUSNEK-ZIAGYGMSSA-N 2 1 351.451 0.970 20 0 FCADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284496 857322536 /nfs/dbraw/zinc/32/25/36/857322536.db2.gz HORXHRFWWCGWJP-HUUCEWRRSA-N 2 1 362.540 0.283 20 0 FCADMP COCCN1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363679 /nfs/dbraw/zinc/36/36/79/857363679.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 1 352.435 0.449 20 0 FCADMP COCC[N@@H+]1CCOC[C@@]2(CCCN(Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363683 /nfs/dbraw/zinc/36/36/83/857363683.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 1 352.435 0.449 20 0 FCADMP COCC[N@H+]1CCOC[C@@]2(CCCN(Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363692 /nfs/dbraw/zinc/36/36/92/857363692.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 1 352.435 0.449 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(NS(C)(=O)=O)cc2)CCC1=O ZINC001233267955 857379160 /nfs/dbraw/zinc/37/91/60/857379160.db2.gz OQPIGPVMQJJZDG-UHFFFAOYSA-N 2 1 368.503 0.654 20 0 FCADMP CCOC(=O)C1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH+](CC)CC1 ZINC001238720228 857478313 /nfs/dbraw/zinc/47/83/13/857478313.db2.gz RSMKVSXARUGQRI-UHFFFAOYSA-N 2 1 361.508 0.323 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502427 862919162 /nfs/dbraw/zinc/91/91/62/862919162.db2.gz QRKBWVCOGHQYHO-HKUYNNGSSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502427 862919174 /nfs/dbraw/zinc/91/91/74/862919174.db2.gz QRKBWVCOGHQYHO-HKUYNNGSSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502427 862919184 /nfs/dbraw/zinc/91/91/84/862919184.db2.gz QRKBWVCOGHQYHO-HKUYNNGSSA-N 2 1 352.523 0.583 20 0 FCADMP O[C@H](CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)COCC(F)(F)C(F)F ZINC001245983524 857563465 /nfs/dbraw/zinc/56/34/65/857563465.db2.gz GUXHDMBNNKBVAP-NWDGAFQWSA-N 2 1 357.392 0.728 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC2(CC1)C[NH2+]CCO2 ZINC001246030926 857566296 /nfs/dbraw/zinc/56/62/96/857566296.db2.gz PMWWQMOHGGGHKK-DLBZAZTESA-N 2 1 355.429 0.650 20 0 FCADMP CN1CCC([N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C2CC[NH2+]CC2)CC1 ZINC001246061608 857567270 /nfs/dbraw/zinc/56/72/70/857567270.db2.gz ZAJKEFNXQCYTIY-GOSISDBHSA-N 3 1 354.539 0.000 20 0 FCADMP CN1CCC([N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C2CC[NH2+]CC2)CC1 ZINC001246061608 857567275 /nfs/dbraw/zinc/56/72/75/857567275.db2.gz ZAJKEFNXQCYTIY-GOSISDBHSA-N 3 1 354.539 0.000 20 0 FCADMP CC(C)[C@H]1C[C@H](NCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215906 857571000 /nfs/dbraw/zinc/57/10/00/857571000.db2.gz KTPWMTCPZFBAES-QZTJIDSGSA-N 2 1 361.527 0.378 20 0 FCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246523104 857583335 /nfs/dbraw/zinc/58/33/35/857583335.db2.gz MLSSNSCXIFVNML-KBXIAJHMSA-N 2 1 358.552 0.854 20 0 FCADMP C[C@H]1C[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC[NH2+]1 ZINC001246726309 857593803 /nfs/dbraw/zinc/59/38/03/857593803.db2.gz CUXBVYFVMRKFPT-DLBZAZTESA-N 2 1 351.539 0.297 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737613 857596061 /nfs/dbraw/zinc/59/60/61/857596061.db2.gz DWJKOECDNUMXBH-ZKXLYKBJSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745370 857596923 /nfs/dbraw/zinc/59/69/23/857596923.db2.gz HGTQCYZLJOYIEI-MTNOOBJLSA-N 2 1 351.491 0.999 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)CC[NH2+]1 ZINC001246756097 857598983 /nfs/dbraw/zinc/59/89/83/857598983.db2.gz KRZULONSVQWPBV-ZACQAIPSSA-N 2 1 351.491 0.857 20 0 FCADMP Brc1cnc(O[C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807502 857602136 /nfs/dbraw/zinc/60/21/36/857602136.db2.gz KKXOHXJKAPXLQW-QWHCGFSZSA-N 2 1 368.279 0.786 20 0 FCADMP CCOC(=O)[C@]12C[N@H+](C3CCC(S(C)(=O)=O)CC3)C[C@H]1C[NH2+]CC2 ZINC001246855606 857603074 /nfs/dbraw/zinc/60/30/74/857603074.db2.gz PIPSBRDUDLXJES-ARAOSMHQSA-N 2 1 358.504 0.817 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855913 857603454 /nfs/dbraw/zinc/60/34/54/857603454.db2.gz QXGAUBZEFMKGDC-BASYENTBSA-N 2 1 354.447 0.572 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936504 857606784 /nfs/dbraw/zinc/60/67/84/857606784.db2.gz LEUSFZANRJRBDL-IMJJTQAJSA-N 2 1 353.463 0.239 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936504 857606788 /nfs/dbraw/zinc/60/67/88/857606788.db2.gz LEUSFZANRJRBDL-IMJJTQAJSA-N 2 1 353.463 0.239 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CCN1 ZINC001247004952 857608873 /nfs/dbraw/zinc/60/88/73/857608873.db2.gz DWAQCMXNBRETQN-KKUMJFAQSA-N 2 1 353.463 0.145 20 0 FCADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)COCC(F)(F)C(F)F ZINC001251569400 857731170 /nfs/dbraw/zinc/73/11/70/857731170.db2.gz GVTLZZOFKYUICW-MELADBBJSA-N 2 1 371.419 0.975 20 0 FCADMP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252510810 857818461 /nfs/dbraw/zinc/81/84/61/857818461.db2.gz QFPAKPMKPDLJBO-OWSLCNJRSA-N 2 1 351.495 0.850 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252510810 857818466 /nfs/dbraw/zinc/81/84/66/857818466.db2.gz QFPAKPMKPDLJBO-OWSLCNJRSA-N 2 1 351.495 0.850 20 0 FCADMP CCCCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252510810 857818469 /nfs/dbraw/zinc/81/84/69/857818469.db2.gz QFPAKPMKPDLJBO-OWSLCNJRSA-N 2 1 351.495 0.850 20 0 FCADMP CCCCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252510810 857818470 /nfs/dbraw/zinc/81/84/70/857818470.db2.gz QFPAKPMKPDLJBO-OWSLCNJRSA-N 2 1 351.495 0.850 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253145774 857864917 /nfs/dbraw/zinc/86/49/17/857864917.db2.gz NOJHORYXLQJCAR-SFHVURJKSA-N 2 1 351.491 0.140 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001253187523 857870346 /nfs/dbraw/zinc/87/03/46/857870346.db2.gz YKVRKSPLDMQRIA-ZHALLVOQSA-N 2 1 353.507 0.696 20 0 FCADMP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388269 857883866 /nfs/dbraw/zinc/88/38/66/857883866.db2.gz DUXNKHYYNJQDNI-HUUCEWRRSA-N 2 1 357.495 0.122 20 0 FCADMP CCOC(=O)CN1CCC([N@@H+](CCC[NH+](C)C)CCC(=O)OC)CC1 ZINC001254408918 857970290 /nfs/dbraw/zinc/97/02/90/857970290.db2.gz OHHIJKPJPDYIHT-UHFFFAOYSA-N 2 1 357.495 0.831 20 0 FCADMP C[N@H+]1CCC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001254517225 857976071 /nfs/dbraw/zinc/97/60/71/857976071.db2.gz GDTYFJFDBYXAFF-CQSZACIVSA-N 2 1 355.508 0.275 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@H]1CCC[N@H+](C)C1)CC2 ZINC001255488320 858014407 /nfs/dbraw/zinc/01/44/07/858014407.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 2 1 351.539 0.251 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@H]1CCC[N@@H+](C)C1)CC2 ZINC001255488320 858014414 /nfs/dbraw/zinc/01/44/14/858014414.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 2 1 351.539 0.251 20 0 FCADMP CCOC(=O)CCC(CCC(=O)OCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001255994490 858045559 /nfs/dbraw/zinc/04/55/59/858045559.db2.gz XYXDJJNKVZMTMS-CYBMUJFWSA-N 2 1 355.435 0.973 20 0 FCADMP O=C(NCC(F)(F)F)N1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001279614815 862980760 /nfs/dbraw/zinc/98/07/60/862980760.db2.gz FIYUGKHXSLHOMN-STQMWFEESA-N 2 1 350.385 0.643 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCOC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279618382 862984028 /nfs/dbraw/zinc/98/40/28/862984028.db2.gz WHNBUSLQCBHVQC-PKOBYXMFSA-N 2 1 352.523 0.631 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622050 858093297 /nfs/dbraw/zinc/09/32/97/858093297.db2.gz FJYJUABIYWSGFH-XZJGIMNOSA-N 2 1 351.491 0.665 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622050 858093306 /nfs/dbraw/zinc/09/33/06/858093306.db2.gz FJYJUABIYWSGFH-XZJGIMNOSA-N 2 1 351.491 0.665 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCC1=O ZINC001256696033 858096645 /nfs/dbraw/zinc/09/66/45/858096645.db2.gz UPGNWCRIKCRZEZ-UHFFFAOYSA-N 3 1 352.523 0.726 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C2CCC(N3CCOCC3)CC2)CCC1=O ZINC001256696033 858096649 /nfs/dbraw/zinc/09/66/49/858096649.db2.gz UPGNWCRIKCRZEZ-UHFFFAOYSA-N 2 1 352.523 0.726 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C2CCC(N3CCOCC3)CC2)CCC1=O ZINC001256696033 858096651 /nfs/dbraw/zinc/09/66/51/858096651.db2.gz UPGNWCRIKCRZEZ-UHFFFAOYSA-N 2 1 352.523 0.726 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257742538 858159175 /nfs/dbraw/zinc/15/91/75/858159175.db2.gz CMQHZNPLNSYLDE-BZUAXINKSA-N 2 1 355.479 0.297 20 0 FCADMP C[NH+](C)CCN1CCC12CN(Cc1cnc(N3CC[NH+](C)CC3)s1)C2 ZINC001279705976 863017115 /nfs/dbraw/zinc/01/71/15/863017115.db2.gz GYKFHBBHUHVSHK-UHFFFAOYSA-N 2 1 364.563 0.717 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001279706282 863017254 /nfs/dbraw/zinc/01/72/54/863017254.db2.gz NEYMVVUPZPETPM-IYBDPMFKSA-N 2 1 364.563 0.715 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001261245553 858505502 /nfs/dbraw/zinc/50/55/02/858505502.db2.gz GIMZZWHIRZDQTK-UHFFFAOYSA-N 2 1 350.507 0.907 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001263103726 859102935 /nfs/dbraw/zinc/10/29/35/859102935.db2.gz JSYNFHAHZAACER-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001263861792 859221714 /nfs/dbraw/zinc/22/17/14/859221714.db2.gz NFWDRFIUTNCQSW-KLHDSHLOSA-N 2 1 371.547 0.636 20 0 FCADMP CCN(CC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451133 859533157 /nfs/dbraw/zinc/53/31/57/859533157.db2.gz DVAUTDFUAHELAG-YNEHKIRRSA-N 2 1 366.428 0.832 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489658 859770188 /nfs/dbraw/zinc/77/01/88/859770188.db2.gz IDHCUFDNLBAODA-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651463 859984981 /nfs/dbraw/zinc/98/49/81/859984981.db2.gz UIRFALRQMFVOAR-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001272868434 860286493 /nfs/dbraw/zinc/28/64/93/860286493.db2.gz UHIJHMWLXYPVKO-UHFFFAOYSA-N 2 1 351.539 0.110 20 0 FCADMP CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001272868434 860286502 /nfs/dbraw/zinc/28/65/02/860286502.db2.gz UHIJHMWLXYPVKO-UHFFFAOYSA-N 2 1 351.539 0.110 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274204146 860706921 /nfs/dbraw/zinc/70/69/21/860706921.db2.gz RWSWDDIDOIIEPT-CALCHBBNSA-N 2 1 352.523 0.175 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)C3([NH+](C)C)CC3)C2)C1 ZINC001274953986 860880743 /nfs/dbraw/zinc/88/07/43/860880743.db2.gz WPNRQGLEZSTGLN-SFHVURJKSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCC1CCOCC1)C2 ZINC001275140773 860946201 /nfs/dbraw/zinc/94/62/01/860946201.db2.gz MHROLGPFGRADMX-LJQANCHMSA-N 2 1 353.507 0.916 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCC1CCOCC1)C2 ZINC001275140772 860946231 /nfs/dbraw/zinc/94/62/31/860946231.db2.gz MHROLGPFGRADMX-IBGZPJMESA-N 2 1 353.507 0.916 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507464 861114889 /nfs/dbraw/zinc/11/48/89/861114889.db2.gz CFUCKEULUDPUQF-KSSFIOAISA-N 2 1 354.495 0.141 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507464 861114895 /nfs/dbraw/zinc/11/48/95/861114895.db2.gz CFUCKEULUDPUQF-KSSFIOAISA-N 2 1 354.495 0.141 20 0 FCADMP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556645 861127687 /nfs/dbraw/zinc/12/76/87/861127687.db2.gz NGUKEXAZVYGUCQ-HNAYVOBHSA-N 2 1 351.491 0.857 20 0 FCADMP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556646 861127891 /nfs/dbraw/zinc/12/78/91/861127891.db2.gz NGUKEXAZVYGUCQ-KXBFYZLASA-N 2 1 351.491 0.857 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275556435 861127952 /nfs/dbraw/zinc/12/79/52/861127952.db2.gz KTWPPNPSEXUYRZ-GOSISDBHSA-N 2 1 355.479 0.250 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cnc(N)s1)C2 ZINC001275733060 861174080 /nfs/dbraw/zinc/17/40/80/861174080.db2.gz LLUMTWOWAZPECY-MRXNPFEDSA-N 2 1 353.492 0.338 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cnc(N)s1)C2 ZINC001275733060 861174084 /nfs/dbraw/zinc/17/40/84/861174084.db2.gz LLUMTWOWAZPECY-MRXNPFEDSA-N 2 1 353.492 0.338 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736799 861180532 /nfs/dbraw/zinc/18/05/32/861180532.db2.gz HIFIZCXALWLKHF-QFBILLFUSA-N 2 1 350.507 0.955 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743668 861187663 /nfs/dbraw/zinc/18/76/63/861187663.db2.gz UKMHUHYIYMAKLV-QFBILLFUSA-N 2 1 350.507 0.907 20 0 FCADMP COC(CN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2)OC ZINC001275743760 861188024 /nfs/dbraw/zinc/18/80/24/861188024.db2.gz XFTCGBRUTHVQAU-UHFFFAOYSA-N 2 1 355.479 0.250 20 0 FCADMP C[C@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001280136107 863287361 /nfs/dbraw/zinc/28/73/61/863287361.db2.gz BHMYODMPTNXVKP-NSHDSACASA-N 2 1 356.421 0.519 20 0 FCADMP C[C@H]1CN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]23)C[C@H](C)O1 ZINC001280138531 863288659 /nfs/dbraw/zinc/28/86/59/863288659.db2.gz ZVRSWGDMOJHCAX-DARAHFNDSA-N 2 1 350.463 0.308 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@@H]2C1 ZINC001280187702 863316847 /nfs/dbraw/zinc/31/68/47/863316847.db2.gz KUJFFRXPAQMPEV-HZPDHXFCSA-N 2 1 352.523 0.079 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@H]2C1 ZINC001280188655 863318020 /nfs/dbraw/zinc/31/80/20/863318020.db2.gz IOKYXEPMYNIGTR-SNPRPXQTSA-N 2 1 364.515 0.845 20 0 FCADMP NC(=O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCCC(F)(F)F)C[C@H]12 ZINC001280193703 863323746 /nfs/dbraw/zinc/32/37/46/863323746.db2.gz KAIWNXUGUMQQQZ-VXGBXAGGSA-N 2 1 362.396 0.327 20 0 FCADMP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCCC(F)(F)F)C[C@H]12 ZINC001280193703 863323758 /nfs/dbraw/zinc/32/37/58/863323758.db2.gz KAIWNXUGUMQQQZ-VXGBXAGGSA-N 2 1 362.396 0.327 20 0 FCADMP NC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCCC(F)(F)F)C[C@H]12 ZINC001280193703 863323768 /nfs/dbraw/zinc/32/37/68/863323768.db2.gz KAIWNXUGUMQQQZ-VXGBXAGGSA-N 2 1 362.396 0.327 20 0 FCADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280246367 863358633 /nfs/dbraw/zinc/35/86/33/863358633.db2.gz WHIPKGRJMUSDAW-UHFFFAOYSA-N 3 1 351.583 0.973 20 0 FCADMP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](CCCN1CCN(C)CC1)CC2 ZINC001280246367 863358641 /nfs/dbraw/zinc/35/86/41/863358641.db2.gz WHIPKGRJMUSDAW-UHFFFAOYSA-N 2 1 351.583 0.973 20 0 FCADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCCN1CCN(C)CC1)CC2 ZINC001280246367 863358649 /nfs/dbraw/zinc/35/86/49/863358649.db2.gz WHIPKGRJMUSDAW-UHFFFAOYSA-N 2 1 351.583 0.973 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001280256155 863361830 /nfs/dbraw/zinc/36/18/30/863361830.db2.gz ATJCRFKXNXOAKZ-UXDQUXDASA-N 2 1 350.507 0.537 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257394 863365168 /nfs/dbraw/zinc/36/51/68/863365168.db2.gz OIDIRKGADLVAIF-YZVOILCLSA-N 2 1 350.482 0.657 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257394 863365175 /nfs/dbraw/zinc/36/51/75/863365175.db2.gz OIDIRKGADLVAIF-YZVOILCLSA-N 2 1 350.482 0.657 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257394 863365185 /nfs/dbraw/zinc/36/51/85/863365185.db2.gz OIDIRKGADLVAIF-YZVOILCLSA-N 2 1 350.482 0.657 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257394 863365191 /nfs/dbraw/zinc/36/51/91/863365191.db2.gz OIDIRKGADLVAIF-YZVOILCLSA-N 2 1 350.482 0.657 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001282053874 864047021 /nfs/dbraw/zinc/04/70/21/864047021.db2.gz GOIODZZLCZICQR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001288981329 864838298 /nfs/dbraw/zinc/83/82/98/864838298.db2.gz YQLJSBVZDITVKW-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001288981329 864838303 /nfs/dbraw/zinc/83/83/03/864838303.db2.gz YQLJSBVZDITVKW-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001288981329 864838320 /nfs/dbraw/zinc/83/83/20/864838320.db2.gz YQLJSBVZDITVKW-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001289847348 865295605 /nfs/dbraw/zinc/29/56/05/865295605.db2.gz XPTKNSWFLCNIFS-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001312838323 867204024 /nfs/dbraw/zinc/20/40/24/867204024.db2.gz RYJGXVMPQDQKPW-UHFFFAOYSA-N 2 1 354.495 0.509 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC001353511618 867442639 /nfs/dbraw/zinc/44/26/39/867442639.db2.gz QSVBFHMFFFPJBK-OAHLLOKOSA-N 2 1 351.495 0.180 20 0 FCADMP CCC[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1CCOC ZINC001354157349 867556524 /nfs/dbraw/zinc/55/65/24/867556524.db2.gz BNKJQTHMTXXJAZ-CVEARBPZSA-N 2 1 354.495 0.143 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001354312933 867580048 /nfs/dbraw/zinc/58/00/48/867580048.db2.gz FYHUEHWKTGEZHP-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC001354312933 867580059 /nfs/dbraw/zinc/58/00/59/867580059.db2.gz FYHUEHWKTGEZHP-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC001354312933 867580072 /nfs/dbraw/zinc/58/00/72/867580072.db2.gz FYHUEHWKTGEZHP-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC001318696750 867728956 /nfs/dbraw/zinc/72/89/56/867728956.db2.gz SWSGLYSPPXYINP-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC001318696750 867728966 /nfs/dbraw/zinc/72/89/66/867728966.db2.gz SWSGLYSPPXYINP-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)COCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC001318696750 867728978 /nfs/dbraw/zinc/72/89/78/867728978.db2.gz SWSGLYSPPXYINP-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1CC[NH3+] ZINC001357434377 868114600 /nfs/dbraw/zinc/11/46/00/868114600.db2.gz JBCNBWVQYJPIHI-HZPDHXFCSA-N 2 1 354.495 0.494 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558891 868132110 /nfs/dbraw/zinc/13/21/10/868132110.db2.gz ARXHNPWIPVBEIK-CVEARBPZSA-N 2 1 354.495 0.291 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001357668148 868144685 /nfs/dbraw/zinc/14/46/85/868144685.db2.gz LCEQSQMZZKKFBM-CYBMUJFWSA-N 2 1 365.444 0.854 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001357896530 868160918 /nfs/dbraw/zinc/16/09/18/868160918.db2.gz DMQGODJTMVQNNK-MRXNPFEDSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519837 868841583 /nfs/dbraw/zinc/84/15/83/868841583.db2.gz HUBALMSRBLUZGF-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323856575 869387702 /nfs/dbraw/zinc/38/77/02/869387702.db2.gz BWIUWRLEKKGVTC-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001323856575 869387715 /nfs/dbraw/zinc/38/77/15/869387715.db2.gz BWIUWRLEKKGVTC-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001323856575 869387729 /nfs/dbraw/zinc/38/77/29/869387729.db2.gz BWIUWRLEKKGVTC-GPMSIDNRSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC001325137390 869791154 /nfs/dbraw/zinc/79/11/54/869791154.db2.gz RAVILBVFZPLGMR-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001325740528 870013001 /nfs/dbraw/zinc/01/30/01/870013001.db2.gz LBFBMGLHHIOLMO-BPKGMFCQSA-N 2 1 350.507 0.632 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001343443587 870430718 /nfs/dbraw/zinc/43/07/18/870430718.db2.gz AJKZGMOYHICKJY-HUUCEWRRSA-N 2 1 351.520 0.056 20 0 FCADMP CC(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001343522966 870469086 /nfs/dbraw/zinc/46/90/86/870469086.db2.gz JBPIHJAPBRELSW-CYBMUJFWSA-N 2 1 350.467 0.950 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001328750593 871606780 /nfs/dbraw/zinc/60/67/80/871606780.db2.gz VNHMAMHLVJGJDI-UKRRQHHQSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CCC3(C2)OCCO3)CC[N@H+](C2CC2)C1 ZINC001346553835 871900058 /nfs/dbraw/zinc/90/00/58/871900058.db2.gz LWHJAMOHEUCBTL-HNNXBMFYSA-N 2 1 352.479 0.561 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001348575054 872728783 /nfs/dbraw/zinc/72/87/83/872728783.db2.gz UXHOHKHDAISNIC-MRXNPFEDSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663068 872756983 /nfs/dbraw/zinc/75/69/83/872756983.db2.gz GPEJFTFCBJFQIF-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001348852472 872813318 /nfs/dbraw/zinc/81/33/18/872813318.db2.gz MOKBYNJTHIBVCW-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC001331138966 872978379 /nfs/dbraw/zinc/97/83/79/872978379.db2.gz DYIAPTJANWAMDW-OAHLLOKOSA-N 2 1 356.511 0.483 20 0 FCADMP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H]1C ZINC001331906722 873299288 /nfs/dbraw/zinc/29/92/88/873299288.db2.gz VYQWBCUXIHNWHW-ULQDDVLXSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332685 873460230 /nfs/dbraw/zinc/46/02/30/873460230.db2.gz SNBAOXIKCLOLFB-TWMKSMIVSA-N 2 1 350.507 0.953 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001333161821 873829824 /nfs/dbraw/zinc/82/98/24/873829824.db2.gz SWNONFJODDUINA-QGZVFWFLSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574925854 948980173 /nfs/dbraw/zinc/98/01/73/948980173.db2.gz FKYVOTWZHNYBEB-CQSZACIVSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704254 949377669 /nfs/dbraw/zinc/37/76/69/949377669.db2.gz BMKOKPBAGWYGNO-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283684 949882614 /nfs/dbraw/zinc/88/26/14/949882614.db2.gz GRRWZHIMYYFKOF-QWHCGFSZSA-N 2 1 374.493 0.967 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196460 950367736 /nfs/dbraw/zinc/36/77/36/950367736.db2.gz FAHOEVJSRVCRJY-KGLIPLIRSA-N 2 1 370.461 0.286 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576199188 950417128 /nfs/dbraw/zinc/41/71/28/950417128.db2.gz XCFVKFZXSZSMFD-AWEZNQCLSA-N 2 1 372.477 0.888 20 0 FCADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204762 950472027 /nfs/dbraw/zinc/47/20/27/950472027.db2.gz BYUAGJIQCVEQQX-CJNGLKHVSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214570 950673985 /nfs/dbraw/zinc/67/39/85/950673985.db2.gz QBMWWLPXJOYAQE-JQFCIGGWSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574774061 951003905 /nfs/dbraw/zinc/00/39/05/951003905.db2.gz BTDPFJPLOOGBDW-AWEZNQCLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571004843 951160218 /nfs/dbraw/zinc/16/02/18/951160218.db2.gz SAJLZBUQSLRUHQ-VXGBXAGGSA-N 2 1 361.475 0.570 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026025 951465503 /nfs/dbraw/zinc/46/55/03/951465503.db2.gz QFDCCPNVECUFEP-HNNXBMFYSA-N 2 1 366.429 0.762 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575100154 951841054 /nfs/dbraw/zinc/84/10/54/951841054.db2.gz RCEKUSSIFOVIME-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001571062734 951956460 /nfs/dbraw/zinc/95/64/60/951956460.db2.gz BEFLZGZQQFTVDU-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571062734 951956471 /nfs/dbraw/zinc/95/64/71/951956471.db2.gz BEFLZGZQQFTVDU-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001571062734 951956482 /nfs/dbraw/zinc/95/64/82/951956482.db2.gz BEFLZGZQQFTVDU-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078426 952129352 /nfs/dbraw/zinc/12/93/52/952129352.db2.gz QCSFAWPDZVQBHC-HIFRSBDPSA-N 2 1 370.461 0.607 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575146450 952193847 /nfs/dbraw/zinc/19/38/47/952193847.db2.gz LEYAYPWTXZUXQC-QWHCGFSZSA-N 2 1 358.450 0.284 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105217 952391335 /nfs/dbraw/zinc/39/13/35/952391335.db2.gz KEABLVIRZITION-CJNGLKHVSA-N 2 1 373.436 0.791 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)C1 ZINC000410779410 529799256 /nfs/dbraw/zinc/79/92/56/529799256.db2.gz JTSAZAYRLMAKAI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410779410 529799259 /nfs/dbraw/zinc/79/92/59/529799259.db2.gz JTSAZAYRLMAKAI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410779410 529799260 /nfs/dbraw/zinc/79/92/60/529799260.db2.gz JTSAZAYRLMAKAI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1)C1CC1 ZINC000265389801 210117109 /nfs/dbraw/zinc/11/71/09/210117109.db2.gz LKENKDNDWSBTIW-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331684053 215034250 /nfs/dbraw/zinc/03/42/50/215034250.db2.gz SAQXMOKBENBOOF-GBJTYRQASA-N 2 1 352.479 0.158 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000331697263 215036969 /nfs/dbraw/zinc/03/69/69/215036969.db2.gz WXFZZZLGLCRJFS-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000331697263 215036971 /nfs/dbraw/zinc/03/69/71/215036971.db2.gz WXFZZZLGLCRJFS-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331697263 215036975 /nfs/dbraw/zinc/03/69/75/215036975.db2.gz WXFZZZLGLCRJFS-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000331797947 215048647 /nfs/dbraw/zinc/04/86/47/215048647.db2.gz LSFIGPBULVUKFZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000331859589 215058686 /nfs/dbraw/zinc/05/86/86/215058686.db2.gz FRBWVXIBDYROOA-GOSISDBHSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000331859589 215058689 /nfs/dbraw/zinc/05/86/89/215058689.db2.gz FRBWVXIBDYROOA-GOSISDBHSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000331859589 215058690 /nfs/dbraw/zinc/05/86/90/215058690.db2.gz FRBWVXIBDYROOA-GOSISDBHSA-N 2 1 353.507 0.935 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000331999916 215077774 /nfs/dbraw/zinc/07/77/74/215077774.db2.gz BOJKFZRQICKRHR-RRFJBIMHSA-N 2 1 352.479 0.084 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000332062108 215086457 /nfs/dbraw/zinc/08/64/57/215086457.db2.gz PYVPATCDDMJPQV-IAGOWNOFSA-N 2 1 373.501 0.837 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000332062108 215086459 /nfs/dbraw/zinc/08/64/59/215086459.db2.gz PYVPATCDDMJPQV-IAGOWNOFSA-N 2 1 373.501 0.837 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1C ZINC000332256072 215117360 /nfs/dbraw/zinc/11/73/60/215117360.db2.gz CSKDWMQYLUFIQJ-XAJHFOFHSA-N 2 1 350.507 0.903 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332353239 215135829 /nfs/dbraw/zinc/13/58/29/215135829.db2.gz BLPYLPVOIJEXPY-ZOBUZTSGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332353239 215135831 /nfs/dbraw/zinc/13/58/31/215135831.db2.gz BLPYLPVOIJEXPY-ZOBUZTSGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332413442 215148158 /nfs/dbraw/zinc/14/81/58/215148158.db2.gz SPHAUUAHTPPEDY-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332413442 215148160 /nfs/dbraw/zinc/14/81/60/215148160.db2.gz SPHAUUAHTPPEDY-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)c1 ZINC000332513778 215165012 /nfs/dbraw/zinc/16/50/12/215165012.db2.gz LFZABGNTPCIZDF-JKSUJKDBSA-N 2 1 359.474 0.767 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000332504332 215163506 /nfs/dbraw/zinc/16/35/06/215163506.db2.gz HRILVTAERMZTIS-MRXNPFEDSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000332513759 215164285 /nfs/dbraw/zinc/16/42/85/215164285.db2.gz LFZABGNTPCIZDF-CVEARBPZSA-N 2 1 359.474 0.767 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1C ZINC000286777206 213538797 /nfs/dbraw/zinc/53/87/97/213538797.db2.gz IELJQCJUTZMDHY-AWEZNQCLSA-N 2 1 362.478 0.189 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)c1 ZINC000332532500 215171288 /nfs/dbraw/zinc/17/12/88/215171288.db2.gz HQYPGGHFSNZZEK-CVEARBPZSA-N 2 1 359.474 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000332537928 215173905 /nfs/dbraw/zinc/17/39/05/215173905.db2.gz VIHSHPWRWZCPKJ-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000332552726 215178038 /nfs/dbraw/zinc/17/80/38/215178038.db2.gz QGIUFXSWQIFFHQ-ARFHVFGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000332666824 215201886 /nfs/dbraw/zinc/20/18/86/215201886.db2.gz MCMSWDLPBISILJ-UICACZKSSA-N 2 1 362.449 0.630 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000332666824 215201889 /nfs/dbraw/zinc/20/18/89/215201889.db2.gz MCMSWDLPBISILJ-UICACZKSSA-N 2 1 362.449 0.630 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000333144745 215242252 /nfs/dbraw/zinc/24/22/52/215242252.db2.gz ZKNLGOYKEDLQJY-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC000333144745 215242256 /nfs/dbraw/zinc/24/22/56/215242256.db2.gz ZKNLGOYKEDLQJY-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000333144745 215242258 /nfs/dbraw/zinc/24/22/58/215242258.db2.gz ZKNLGOYKEDLQJY-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCN(c3cnccn3)CC2)CC1 ZINC000333199043 215249220 /nfs/dbraw/zinc/24/92/20/215249220.db2.gz YFIZQHDYGPRNML-UHFFFAOYSA-N 2 1 360.506 0.978 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@@H]21 ZINC000333258750 215256019 /nfs/dbraw/zinc/25/60/19/215256019.db2.gz DOSBWVNNXMWMDM-HOCLYGCPSA-N 2 1 359.478 0.834 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CC(C)(C)O ZINC000333282121 215259068 /nfs/dbraw/zinc/25/90/68/215259068.db2.gz PPSNVYZJOQTAFK-WMLDXEAASA-N 2 1 358.552 0.910 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCSC1 ZINC000333393016 215275348 /nfs/dbraw/zinc/27/53/48/215275348.db2.gz PAHHPSAWVHLOPF-LEOMRAHMSA-N 2 1 369.579 0.939 20 0 FCADMP C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C[NH+]1CCOCC1 ZINC000333496859 215290067 /nfs/dbraw/zinc/29/00/67/215290067.db2.gz CXJSJIDMAUTMDG-NJAFHUGGSA-N 2 1 368.522 0.883 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333546672 215296687 /nfs/dbraw/zinc/29/66/87/215296687.db2.gz OQUGYWWLFCSSOW-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP CN1CCN(C(=O)CC[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CC1 ZINC000333636306 215303611 /nfs/dbraw/zinc/30/36/11/215303611.db2.gz BNSDMJIDWJTJAN-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@@H+]1C1CC1 ZINC000333653434 215304665 /nfs/dbraw/zinc/30/46/65/215304665.db2.gz VGEIEDAOYVWMRV-JKSUJKDBSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@H+]1C1CC1 ZINC000333653434 215304668 /nfs/dbraw/zinc/30/46/68/215304668.db2.gz VGEIEDAOYVWMRV-JKSUJKDBSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000333662917 215306140 /nfs/dbraw/zinc/30/61/40/215306140.db2.gz XFFHZCKJLUJMOF-CVEARBPZSA-N 2 1 354.495 0.494 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000333676008 215307670 /nfs/dbraw/zinc/30/76/70/215307670.db2.gz NYEPDMCTIVRBEK-IHRRRGAJSA-N 2 1 365.444 0.947 20 0 FCADMP COCC1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC[NH2+]CC1 ZINC000333673276 215308178 /nfs/dbraw/zinc/30/81/78/215308178.db2.gz NNKQSQGGORYMSG-MRXNPFEDSA-N 2 1 368.522 0.897 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333736720 215315083 /nfs/dbraw/zinc/31/50/83/215315083.db2.gz QPTMPZXCGCIOGG-SJORKVTESA-N 2 1 354.495 0.386 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000333761610 215316718 /nfs/dbraw/zinc/31/67/18/215316718.db2.gz ANRVKPSZBQRWRH-HZPDHXFCSA-N 2 1 351.495 0.452 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C1 ZINC000333791937 215320280 /nfs/dbraw/zinc/32/02/80/215320280.db2.gz MOCMEQFWMIOLJA-KRWDZBQOSA-N 2 1 353.511 0.175 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333803874 215320070 /nfs/dbraw/zinc/32/00/70/215320070.db2.gz IFHYTHWAQHSJNW-JYJNAYRXSA-N 2 1 351.495 0.357 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000333815086 215321086 /nfs/dbraw/zinc/32/10/86/215321086.db2.gz JXWWVZZFZVEYBP-ZACQAIPSSA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333810494 215321579 /nfs/dbraw/zinc/32/15/79/215321579.db2.gz POJCMNXKIXWNON-IRXDYDNUSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333810494 215321581 /nfs/dbraw/zinc/32/15/81/215321581.db2.gz POJCMNXKIXWNON-IRXDYDNUSA-N 2 1 363.506 0.609 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H]1C ZINC000333860699 215326084 /nfs/dbraw/zinc/32/60/84/215326084.db2.gz RZEOFCVSEPVVEP-SZXPJGKVSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000333908300 215330255 /nfs/dbraw/zinc/33/02/55/215330255.db2.gz WACBKMQLBCOJSY-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000333908300 215330258 /nfs/dbraw/zinc/33/02/58/215330258.db2.gz WACBKMQLBCOJSY-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333952108 215333040 /nfs/dbraw/zinc/33/30/40/215333040.db2.gz ZQXLNQQBFASRFE-RDBSUJKOSA-N 2 1 363.428 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333945493 215333169 /nfs/dbraw/zinc/33/31/69/215333169.db2.gz SXLRMVJYKSYUTM-BZUAXINKSA-N 2 1 351.495 0.370 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000285656327 213372588 /nfs/dbraw/zinc/37/25/88/213372588.db2.gz VYOBFTMLVBJYLQ-CYBMUJFWSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000285656327 213372592 /nfs/dbraw/zinc/37/25/92/213372592.db2.gz VYOBFTMLVBJYLQ-CYBMUJFWSA-N 2 1 370.457 0.791 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000361106787 215379898 /nfs/dbraw/zinc/37/98/98/215379898.db2.gz OWGUWBATHZBYGU-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000361106787 215379902 /nfs/dbraw/zinc/37/99/02/215379902.db2.gz OWGUWBATHZBYGU-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000361106787 215379903 /nfs/dbraw/zinc/37/99/03/215379903.db2.gz OWGUWBATHZBYGU-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP CCC[NH+](CCC)CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000285294149 213318207 /nfs/dbraw/zinc/31/82/07/213318207.db2.gz CQDLJPKZMZTTTB-UHFFFAOYSA-N 2 1 366.510 0.731 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000930958697 674081940 /nfs/dbraw/zinc/08/19/40/674081940.db2.gz XSPWUHUDPZJGOK-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000930958697 674081942 /nfs/dbraw/zinc/08/19/42/674081942.db2.gz XSPWUHUDPZJGOK-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285218875 213305397 /nfs/dbraw/zinc/30/53/97/213305397.db2.gz RPCCEBFPDTVYIH-FHWLQOOXSA-N 2 1 372.513 0.828 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000930958697 674081938 /nfs/dbraw/zinc/08/19/38/674081938.db2.gz XSPWUHUDPZJGOK-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000285078118 213280021 /nfs/dbraw/zinc/28/00/21/213280021.db2.gz PGCJUCSKSABECQ-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078118 213280023 /nfs/dbraw/zinc/28/00/23/213280023.db2.gz PGCJUCSKSABECQ-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078118 213280025 /nfs/dbraw/zinc/28/00/25/213280025.db2.gz PGCJUCSKSABECQ-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000285042175 213272974 /nfs/dbraw/zinc/27/29/74/213272974.db2.gz NTJLXQPADKHBPN-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000285042175 213272978 /nfs/dbraw/zinc/27/29/78/213272978.db2.gz NTJLXQPADKHBPN-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000285042175 213272980 /nfs/dbraw/zinc/27/29/80/213272980.db2.gz NTJLXQPADKHBPN-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285022731 213267626 /nfs/dbraw/zinc/26/76/26/213267626.db2.gz MWPNAJFZJAOHDP-UHFFFAOYSA-N 2 1 364.490 0.271 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000284882662 213241023 /nfs/dbraw/zinc/24/10/23/213241023.db2.gz LIPLVZXIMUROOZ-UHFFFAOYSA-N 2 1 373.501 0.763 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000284623657 213182711 /nfs/dbraw/zinc/18/27/11/213182711.db2.gz QVTSLGSONQNTHU-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000284623657 213182713 /nfs/dbraw/zinc/18/27/13/213182713.db2.gz QVTSLGSONQNTHU-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000284623657 213182717 /nfs/dbraw/zinc/18/27/17/213182717.db2.gz QVTSLGSONQNTHU-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000284623657 213182721 /nfs/dbraw/zinc/18/27/21/213182721.db2.gz QVTSLGSONQNTHU-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccco1 ZINC000284499438 213154722 /nfs/dbraw/zinc/15/47/22/213154722.db2.gz SBMODHLVUXOYCS-OAGGEKHMSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccco1 ZINC000284499438 213154725 /nfs/dbraw/zinc/15/47/25/213154725.db2.gz SBMODHLVUXOYCS-OAGGEKHMSA-N 2 1 362.474 0.941 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000284466041 213147306 /nfs/dbraw/zinc/14/73/06/213147306.db2.gz GJYJYFSALUJBEZ-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000284466041 213147310 /nfs/dbraw/zinc/14/73/10/213147310.db2.gz GJYJYFSALUJBEZ-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466041 213147312 /nfs/dbraw/zinc/14/73/12/213147312.db2.gz GJYJYFSALUJBEZ-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466041 213147318 /nfs/dbraw/zinc/14/73/18/213147318.db2.gz GJYJYFSALUJBEZ-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284469515 213146246 /nfs/dbraw/zinc/14/62/46/213146246.db2.gz QVGPYMNGEHXBPV-AWEZNQCLSA-N 2 1 350.463 0.941 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000284320898 213110295 /nfs/dbraw/zinc/11/02/95/213110295.db2.gz WJSIFOOCWAWUQY-UHFFFAOYSA-N 2 1 368.478 0.254 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)n1C ZINC000283920018 213034901 /nfs/dbraw/zinc/03/49/01/213034901.db2.gz DPWWCJZQFIEIGT-UHFFFAOYSA-N 2 1 350.467 0.093 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C[NH+]1CCCC1 ZINC000283903509 213032840 /nfs/dbraw/zinc/03/28/40/213032840.db2.gz OVWPCZATFRSHGQ-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C[NH+]1CCCC1 ZINC000283903498 213032341 /nfs/dbraw/zinc/03/23/41/213032341.db2.gz OVWPCZATFRSHGQ-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000413126234 237277778 /nfs/dbraw/zinc/27/77/78/237277778.db2.gz SITRILUEPTUHJD-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000413126234 237277785 /nfs/dbraw/zinc/27/77/85/237277785.db2.gz SITRILUEPTUHJD-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000366881530 216046106 /nfs/dbraw/zinc/04/61/06/216046106.db2.gz JPJTWWKAMLEYIX-UHFFFAOYSA-N 2 1 372.517 0.933 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCNC3=O)CC2)CC1 ZINC000367377772 216112861 /nfs/dbraw/zinc/11/28/61/216112861.db2.gz MPUBMTSROIQXEO-UHFFFAOYSA-N 2 1 351.495 0.278 20 0 FCADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3CC[C@H](CC(N)=O)C3)CC2)c1 ZINC000367987934 216189135 /nfs/dbraw/zinc/18/91/35/216189135.db2.gz IBWYBGUXJFRIGG-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368188353 216214056 /nfs/dbraw/zinc/21/40/56/216214056.db2.gz CFELCPYYIRKBMR-SJORKVTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368188353 216214058 /nfs/dbraw/zinc/21/40/58/216214058.db2.gz CFELCPYYIRKBMR-SJORKVTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368188353 216214061 /nfs/dbraw/zinc/21/40/61/216214061.db2.gz CFELCPYYIRKBMR-SJORKVTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CC[NH+](C)C ZINC000368188353 216214063 /nfs/dbraw/zinc/21/40/63/216214063.db2.gz CFELCPYYIRKBMR-SJORKVTESA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)CC[NH+](C)C ZINC000368188353 216214066 /nfs/dbraw/zinc/21/40/66/216214066.db2.gz CFELCPYYIRKBMR-SJORKVTESA-N 2 1 355.527 0.375 20 0 FCADMP CN1CCO[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490819 209391556 /nfs/dbraw/zinc/39/15/56/209391556.db2.gz XFRMRUKAFYZIKW-WBVHZDCISA-N 2 1 360.458 0.653 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490819 209391561 /nfs/dbraw/zinc/39/15/61/209391561.db2.gz XFRMRUKAFYZIKW-WBVHZDCISA-N 2 1 360.458 0.653 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490819 209391567 /nfs/dbraw/zinc/39/15/67/209391567.db2.gz XFRMRUKAFYZIKW-WBVHZDCISA-N 2 1 360.458 0.653 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490819 209391573 /nfs/dbraw/zinc/39/15/73/209391573.db2.gz XFRMRUKAFYZIKW-WBVHZDCISA-N 2 1 360.458 0.653 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000246534059 209390461 /nfs/dbraw/zinc/39/04/61/209390461.db2.gz WWYUECQBMLDLPH-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000246479899 209390046 /nfs/dbraw/zinc/39/00/46/209390046.db2.gz RMJQXJFLIUROLR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000246479899 209390049 /nfs/dbraw/zinc/39/00/49/209390049.db2.gz RMJQXJFLIUROLR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000246479899 209390054 /nfs/dbraw/zinc/39/00/54/209390054.db2.gz RMJQXJFLIUROLR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000237960263 209362843 /nfs/dbraw/zinc/36/28/43/209362843.db2.gz WWTJBOJKJWNAPH-UHFFFAOYSA-N 2 1 366.465 0.995 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229519 /nfs/dbraw/zinc/22/95/19/216229519.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229523 /nfs/dbraw/zinc/22/95/23/216229523.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 1 354.495 0.648 20 0 FCADMP CS(=O)(=O)CC[C@H](N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000237336701 209351511 /nfs/dbraw/zinc/35/15/11/209351511.db2.gz WVMNUNOBVKXKSX-SJORKVTESA-N 2 1 367.515 0.919 20 0 FCADMP CS(=O)(=O)CC[C@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000237336470 209350850 /nfs/dbraw/zinc/35/08/50/209350850.db2.gz WVMNUNOBVKXKSX-IRXDYDNUSA-N 2 1 367.515 0.919 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663217 209342992 /nfs/dbraw/zinc/34/29/92/209342992.db2.gz OQEYEUHSSUVXRE-YVSFHVDLSA-N 2 1 368.522 0.434 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663217 209342993 /nfs/dbraw/zinc/34/29/93/209342993.db2.gz OQEYEUHSSUVXRE-YVSFHVDLSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000368576532 216266688 /nfs/dbraw/zinc/26/66/88/216266688.db2.gz JOWQMZMHMLKCRF-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CC(N)=O)C1 ZINC000368576532 216266692 /nfs/dbraw/zinc/26/66/92/216266692.db2.gz JOWQMZMHMLKCRF-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CC(N)=O)C1 ZINC000368576532 216266694 /nfs/dbraw/zinc/26/66/94/216266694.db2.gz JOWQMZMHMLKCRF-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369018364 216332680 /nfs/dbraw/zinc/33/26/80/216332680.db2.gz XZSOKQVMYKGSMR-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369018364 216332683 /nfs/dbraw/zinc/33/26/83/216332683.db2.gz XZSOKQVMYKGSMR-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369266808 216374963 /nfs/dbraw/zinc/37/49/63/216374963.db2.gz OHJWWHJNJRUPHC-GJZGRUSLSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369266808 216374964 /nfs/dbraw/zinc/37/49/64/216374964.db2.gz OHJWWHJNJRUPHC-GJZGRUSLSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369344300 216387887 /nfs/dbraw/zinc/38/78/87/216387887.db2.gz PMOUNMZSFZRSKE-XWTMOSNGSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344300 216387891 /nfs/dbraw/zinc/38/78/91/216387891.db2.gz PMOUNMZSFZRSKE-XWTMOSNGSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344300 216387892 /nfs/dbraw/zinc/38/78/92/216387892.db2.gz PMOUNMZSFZRSKE-XWTMOSNGSA-N 2 1 352.523 0.770 20 0 FCADMP C[NH+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000190232863 209269980 /nfs/dbraw/zinc/26/99/80/209269980.db2.gz GJCKBNQHLCJBDJ-UHFFFAOYSA-N 2 1 373.501 0.931 20 0 FCADMP C[NH+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000190232863 209269981 /nfs/dbraw/zinc/26/99/81/209269981.db2.gz GJCKBNQHLCJBDJ-UHFFFAOYSA-N 2 1 373.501 0.931 20 0 FCADMP C[NH+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000190232863 209269984 /nfs/dbraw/zinc/26/99/84/209269984.db2.gz GJCKBNQHLCJBDJ-UHFFFAOYSA-N 2 1 373.501 0.931 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407901 216399182 /nfs/dbraw/zinc/39/91/82/216399182.db2.gz NSXZGZYNLFDCOI-HOCLYGCPSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188586044 209233025 /nfs/dbraw/zinc/23/30/25/209233025.db2.gz IPSHJWZAPILTBE-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188305805 209227802 /nfs/dbraw/zinc/22/78/02/209227802.db2.gz AOHFWRDIXBLYER-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188305805 209227807 /nfs/dbraw/zinc/22/78/07/209227807.db2.gz AOHFWRDIXBLYER-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276609641 212264063 /nfs/dbraw/zinc/26/40/63/212264063.db2.gz LFWITWNNMXRNOE-UHFFFAOYSA-N 2 1 358.486 0.611 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187191838 209205823 /nfs/dbraw/zinc/20/58/23/209205823.db2.gz PXNYFQOBBIHVQO-MRXNPFEDSA-N 2 1 354.495 0.509 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000414660870 245307686 /nfs/dbraw/zinc/30/76/86/245307686.db2.gz NVUCMDWMECKBSA-QGZVFWFLSA-N 2 1 362.474 0.818 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC(C)(C)C[NH3+] ZINC000415062236 245342900 /nfs/dbraw/zinc/34/29/00/245342900.db2.gz DYSZVVWSMXWXSC-UHFFFAOYSA-N 2 1 363.462 0.942 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000415084981 245345585 /nfs/dbraw/zinc/34/55/85/245345585.db2.gz PJUKBWLENULESV-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000415084981 245345588 /nfs/dbraw/zinc/34/55/88/245345588.db2.gz PJUKBWLENULESV-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000414964584 245336904 /nfs/dbraw/zinc/33/69/04/245336904.db2.gz MLDXJCKCJSZFBK-WMLDXEAASA-N 2 1 360.458 0.905 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000415268325 245373497 /nfs/dbraw/zinc/37/34/97/245373497.db2.gz UUXFBHASFIOMOX-GASCZTMLSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000415268325 245373501 /nfs/dbraw/zinc/37/35/01/245373501.db2.gz UUXFBHASFIOMOX-GASCZTMLSA-N 2 1 362.474 0.648 20 0 FCADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000185341686 209175803 /nfs/dbraw/zinc/17/58/03/209175803.db2.gz KKFWNXWGAGFRIP-MRXNPFEDSA-N 2 1 367.515 0.911 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076105 209157903 /nfs/dbraw/zinc/15/79/03/209157903.db2.gz LIMCNEXFEXBUOA-SJLPKXTDSA-N 2 1 352.523 0.772 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1=O ZINC000374918552 217190359 /nfs/dbraw/zinc/19/03/59/217190359.db2.gz SJNCZQOETVMBIZ-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1=O ZINC000374918552 217190363 /nfs/dbraw/zinc/19/03/63/217190363.db2.gz SJNCZQOETVMBIZ-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000374918552 217190366 /nfs/dbraw/zinc/19/03/66/217190366.db2.gz SJNCZQOETVMBIZ-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000375217450 217233689 /nfs/dbraw/zinc/23/36/89/217233689.db2.gz GIBYJBNAVPPNAK-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000375217450 217233693 /nfs/dbraw/zinc/23/36/93/217233693.db2.gz GIBYJBNAVPPNAK-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000375217450 217233698 /nfs/dbraw/zinc/23/36/98/217233698.db2.gz GIBYJBNAVPPNAK-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000181612894 209118094 /nfs/dbraw/zinc/11/80/94/209118094.db2.gz NCJVTBRFHJJWAU-SFHVURJKSA-N 2 1 364.490 0.631 20 0 FCADMP COCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181612894 209118096 /nfs/dbraw/zinc/11/80/96/209118096.db2.gz NCJVTBRFHJJWAU-SFHVURJKSA-N 2 1 364.490 0.631 20 0 FCADMP COCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181612894 209118098 /nfs/dbraw/zinc/11/80/98/209118098.db2.gz NCJVTBRFHJJWAU-SFHVURJKSA-N 2 1 364.490 0.631 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000375475596 217269752 /nfs/dbraw/zinc/26/97/52/217269752.db2.gz XBMPUEIGKNEYQF-OKZBNKHCSA-N 2 1 352.523 0.772 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417145997 245675464 /nfs/dbraw/zinc/67/54/64/245675464.db2.gz KIBZVCLKMNOGOX-UHFFFAOYSA-N 2 1 356.417 0.892 20 0 FCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000376045235 217350526 /nfs/dbraw/zinc/35/05/26/217350526.db2.gz FFFBYPWAFKXVCR-KRWDZBQOSA-N 2 1 374.533 0.914 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000376045235 217350529 /nfs/dbraw/zinc/35/05/29/217350529.db2.gz FFFBYPWAFKXVCR-KRWDZBQOSA-N 2 1 374.533 0.914 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418638371 245811622 /nfs/dbraw/zinc/81/16/22/245811622.db2.gz KROKZDXCIGHVMK-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000181036166 209107863 /nfs/dbraw/zinc/10/78/63/209107863.db2.gz HWQXXKZGTBALDZ-QGZVFWFLSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419126698 246001176 /nfs/dbraw/zinc/00/11/76/246001176.db2.gz NRJCOHPOMJMMMA-BBWFWOEESA-N 2 1 367.538 0.008 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129254 246004672 /nfs/dbraw/zinc/00/46/72/246004672.db2.gz XXMWIFSUIJDCDG-DLBZAZTESA-N 2 1 369.554 0.206 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419159306 246023923 /nfs/dbraw/zinc/02/39/23/246023923.db2.gz XBIVJSNYWPTZDK-BBWFWOEESA-N 2 1 352.523 0.914 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136175 246011563 /nfs/dbraw/zinc/01/15/63/246011563.db2.gz OUNQGKJYGQTUCL-CQSZACIVSA-N 2 1 354.401 0.477 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136175 246011567 /nfs/dbraw/zinc/01/15/67/246011567.db2.gz OUNQGKJYGQTUCL-CQSZACIVSA-N 2 1 354.401 0.477 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146535 246015175 /nfs/dbraw/zinc/01/51/75/246015175.db2.gz BGDMZUNESXOAIY-WMZOPIPTSA-N 2 1 360.502 0.639 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419171574 246032800 /nfs/dbraw/zinc/03/28/00/246032800.db2.gz PGDUSAGDPUQNFG-ROUUACIJSA-N 2 1 358.486 0.617 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214271 246058720 /nfs/dbraw/zinc/05/87/20/246058720.db2.gz XIYYUSLNTDJZPF-RYUDHWBXSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214271 246058725 /nfs/dbraw/zinc/05/87/25/246058725.db2.gz XIYYUSLNTDJZPF-RYUDHWBXSA-N 2 1 352.401 0.573 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419223122 246060861 /nfs/dbraw/zinc/06/08/61/246060861.db2.gz CLCSPKCWMINDTM-OIISXLGYSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221873 246062153 /nfs/dbraw/zinc/06/21/53/246062153.db2.gz AWMUEZXXZWEKRR-KANFNMMFSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419226716 246064778 /nfs/dbraw/zinc/06/47/78/246064778.db2.gz DQCJXJYNFBBFDI-IERDGZPVSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419226716 246064781 /nfs/dbraw/zinc/06/47/81/246064781.db2.gz DQCJXJYNFBBFDI-IERDGZPVSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225813 246064824 /nfs/dbraw/zinc/06/48/24/246064824.db2.gz CTMMOTXSPWMGFB-TZMCWYRMSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225813 246064830 /nfs/dbraw/zinc/06/48/30/246064830.db2.gz CTMMOTXSPWMGFB-TZMCWYRMSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226544 246065618 /nfs/dbraw/zinc/06/56/18/246065618.db2.gz JEUZHPCFCJYTIR-YSHGAJCASA-N 2 1 370.497 0.834 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419229043 246066730 /nfs/dbraw/zinc/06/67/30/246066730.db2.gz NKGITDKDSVNDPQ-LZLYRXPVSA-N 2 1 360.502 0.985 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419208014 246054667 /nfs/dbraw/zinc/05/46/67/246054667.db2.gz NQIDMTZBPZGVAI-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208008 246054740 /nfs/dbraw/zinc/05/47/40/246054740.db2.gz NPKVFRXOEYJCSH-QWHCGFSZSA-N 2 1 366.428 0.881 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208008 246054744 /nfs/dbraw/zinc/05/47/44/246054744.db2.gz NPKVFRXOEYJCSH-QWHCGFSZSA-N 2 1 366.428 0.881 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419229876 246067775 /nfs/dbraw/zinc/06/77/75/246067775.db2.gz ILPYAYGYBCHKCU-OAHLLOKOSA-N 2 1 360.502 0.993 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419229876 246067780 /nfs/dbraw/zinc/06/77/80/246067780.db2.gz ILPYAYGYBCHKCU-OAHLLOKOSA-N 2 1 360.502 0.993 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419231766 246071408 /nfs/dbraw/zinc/07/14/08/246071408.db2.gz SFOQOORUBSNEGL-BHYGNILZSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419233339 246071428 /nfs/dbraw/zinc/07/14/28/246071428.db2.gz LJLBZJXIUJDUJF-OAHLLOKOSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419233339 246071433 /nfs/dbraw/zinc/07/14/33/246071433.db2.gz LJLBZJXIUJDUJF-OAHLLOKOSA-N 2 1 358.486 0.747 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419246404 246076121 /nfs/dbraw/zinc/07/61/21/246076121.db2.gz WLOPYOZQCPLFRC-DZGCQCFKSA-N 2 1 364.515 0.821 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419246404 246076126 /nfs/dbraw/zinc/07/61/26/246076126.db2.gz WLOPYOZQCPLFRC-DZGCQCFKSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419247522 246076189 /nfs/dbraw/zinc/07/61/89/246076189.db2.gz NLTLDZUOIHUDMK-CIRFHOKZSA-N 2 1 358.486 0.737 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249292 246077096 /nfs/dbraw/zinc/07/70/96/246077096.db2.gz YNSQUESOTMLSGR-RVKKMQEKSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249292 246077099 /nfs/dbraw/zinc/07/70/99/246077099.db2.gz YNSQUESOTMLSGR-RVKKMQEKSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000419245436 246077124 /nfs/dbraw/zinc/07/71/24/246077124.db2.gz VULLTTBNDDJKAO-TZMCWYRMSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000419245436 246077128 /nfs/dbraw/zinc/07/71/28/246077128.db2.gz VULLTTBNDDJKAO-TZMCWYRMSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000419294368 246089135 /nfs/dbraw/zinc/08/91/35/246089135.db2.gz BPYADGYIXFJTGE-WBVHZDCISA-N 2 1 366.506 0.062 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)[nH+]c1 ZINC000419301886 246090538 /nfs/dbraw/zinc/09/05/38/246090538.db2.gz OWHYPSKPCGFQSE-MRXNPFEDSA-N 2 1 359.474 0.815 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000419379879 246124412 /nfs/dbraw/zinc/12/44/12/246124412.db2.gz XGSLKFXGODZWPF-OAHLLOKOSA-N 2 1 352.866 0.929 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000419354651 246114483 /nfs/dbraw/zinc/11/44/83/246114483.db2.gz MGIUWPGDCHVMIG-HOCLYGCPSA-N 2 1 362.474 0.802 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419360268 246116444 /nfs/dbraw/zinc/11/64/44/246116444.db2.gz SCNLAMFSIVWXGH-WBVHZDCISA-N 2 1 374.485 0.817 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC000419397208 246132774 /nfs/dbraw/zinc/13/27/74/246132774.db2.gz UKUIZSZARIVRRV-RHSMWYFYSA-N 2 1 358.486 0.745 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419402148 246137321 /nfs/dbraw/zinc/13/73/21/246137321.db2.gz BHOIEANEHWFMJN-ZWKOTPCHSA-N 2 1 358.486 0.793 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccsc1 ZINC000419403845 246137788 /nfs/dbraw/zinc/13/77/88/246137788.db2.gz FLEKTLTYZNONNE-OAHLLOKOSA-N 2 1 350.488 0.893 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406048 246139001 /nfs/dbraw/zinc/13/90/01/246139001.db2.gz WCBPEZQCSJHCFZ-HNNXBMFYSA-N 2 1 350.488 0.056 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406048 246139008 /nfs/dbraw/zinc/13/90/08/246139008.db2.gz WCBPEZQCSJHCFZ-HNNXBMFYSA-N 2 1 350.488 0.056 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409501 246142215 /nfs/dbraw/zinc/14/22/15/246142215.db2.gz FDAUSJPMFZWNLA-BZSNNMDCSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409501 246142219 /nfs/dbraw/zinc/14/22/19/246142219.db2.gz FDAUSJPMFZWNLA-BZSNNMDCSA-N 2 1 374.485 0.260 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419411924 246144554 /nfs/dbraw/zinc/14/45/54/246144554.db2.gz CDMUDLCLSWDKLB-MOPGFXCFSA-N 2 1 370.497 0.619 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000419411066 246144898 /nfs/dbraw/zinc/14/48/98/246144898.db2.gz PVLLPVJQYUPZDJ-UKRRQHHQSA-N 2 1 352.504 0.925 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419427294 246157362 /nfs/dbraw/zinc/15/73/62/246157362.db2.gz RWDJYVKHJZFMOV-BBWFWOEESA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430824 246159637 /nfs/dbraw/zinc/15/96/37/246159637.db2.gz WEEGFLNAKLGMAT-YJBOKZPZSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419448928 246169005 /nfs/dbraw/zinc/16/90/05/246169005.db2.gz JHYQAUHDDCUMNR-SJORKVTESA-N 2 1 373.501 0.121 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419451313 246169125 /nfs/dbraw/zinc/16/91/25/246169125.db2.gz NDGQGWYLSCNPPL-MRXNPFEDSA-N 2 1 361.490 0.168 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419453792 246170593 /nfs/dbraw/zinc/17/05/93/246170593.db2.gz SGCAOUYKCXJRKE-SJLPKXTDSA-N 2 1 373.501 0.263 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419418291 246151938 /nfs/dbraw/zinc/15/19/38/246151938.db2.gz YCBFBJNTPXUJIZ-ZWKOTPCHSA-N 2 1 374.485 0.044 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513387 246187097 /nfs/dbraw/zinc/18/70/97/246187097.db2.gz MGFWLSZYEZCUGM-HZPDHXFCSA-N 2 1 362.474 0.957 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000419513782 246187714 /nfs/dbraw/zinc/18/77/14/246187714.db2.gz NAYRUFUUICGBTG-HOTGVXAUSA-N 2 1 362.474 0.909 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419521208 246189500 /nfs/dbraw/zinc/18/95/00/246189500.db2.gz JLSWESOGAKWPAF-XOKHGSTOSA-N 2 1 364.465 0.925 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419528550 246192567 /nfs/dbraw/zinc/19/25/67/246192567.db2.gz WJNGNIVPFJJXMB-USXIJHARSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419474884 246176458 /nfs/dbraw/zinc/17/64/58/246176458.db2.gz CTMQCAYDUZQQAC-PMPSAXMXSA-N 2 1 368.522 0.986 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419486738 246178412 /nfs/dbraw/zinc/17/84/12/246178412.db2.gz ABMTWONGGWCIKF-CVEARBPZSA-N 2 1 361.490 0.167 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419564901 246204281 /nfs/dbraw/zinc/20/42/81/246204281.db2.gz YEXJPWXZBZONBR-XIRDDKMYSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419564901 246204285 /nfs/dbraw/zinc/20/42/85/246204285.db2.gz YEXJPWXZBZONBR-XIRDDKMYSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419532144 246195712 /nfs/dbraw/zinc/19/57/12/246195712.db2.gz MIDHOYUFUURAKV-XLMAVXFVSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@H]1[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000419556946 246202565 /nfs/dbraw/zinc/20/25/65/246202565.db2.gz LMHXKRPFXGGEQZ-XOYOTBSWSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000419620641 246220042 /nfs/dbraw/zinc/22/00/42/246220042.db2.gz DDVNJGATIRGNOV-QANKJYHBSA-N 2 1 374.460 0.845 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419721791 246269887 /nfs/dbraw/zinc/26/98/87/246269887.db2.gz KZXFKRQGDLJJGM-LBPRGKRZSA-N 2 1 368.428 0.756 20 0 FCADMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419695998 246254314 /nfs/dbraw/zinc/25/43/14/246254314.db2.gz NTLDLHYXYSAPIC-QGZVFWFLSA-N 2 1 373.501 0.811 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419703493 246258678 /nfs/dbraw/zinc/25/86/78/246258678.db2.gz DILMIXAIWMEDDX-NUJGCVRESA-N 2 1 358.486 0.881 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419702405 246259868 /nfs/dbraw/zinc/25/98/68/246259868.db2.gz BSSGBTLXCZOHDO-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419707248 246261219 /nfs/dbraw/zinc/26/12/19/246261219.db2.gz LVNOYDYLMDZUPS-JOCBIADPSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757885 246285717 /nfs/dbraw/zinc/28/57/17/246285717.db2.gz JFVMFMGIAQMSJU-HIFRSBDPSA-N 2 1 350.438 0.569 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762348 246288947 /nfs/dbraw/zinc/28/89/47/246288947.db2.gz RSVSWPQGUHKYID-GDBMZVCRSA-N 2 1 364.465 0.960 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419766237 246291149 /nfs/dbraw/zinc/29/11/49/246291149.db2.gz RLHKJNDEYHSYKG-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000419765642 246291215 /nfs/dbraw/zinc/29/12/15/246291215.db2.gz QNLXRMLVYPGEQH-ZTFGCOKTSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419766239 246291791 /nfs/dbraw/zinc/29/17/91/246291791.db2.gz RLHKJNDEYHSYKG-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419810564 246304639 /nfs/dbraw/zinc/30/46/39/246304639.db2.gz XJWSQJVPOBSGLC-AWEZNQCLSA-N 2 1 354.495 0.068 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419810564 246304645 /nfs/dbraw/zinc/30/46/45/246304645.db2.gz XJWSQJVPOBSGLC-AWEZNQCLSA-N 2 1 354.495 0.068 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419839119 246314480 /nfs/dbraw/zinc/31/44/80/246314480.db2.gz HAMZBZWXJXHHAG-CQSZACIVSA-N 2 1 350.488 0.303 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419846629 246318985 /nfs/dbraw/zinc/31/89/85/246318985.db2.gz RXUDWBLNBLUCQH-QGZVFWFLSA-N 2 1 374.485 0.598 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419846629 246318990 /nfs/dbraw/zinc/31/89/90/246318990.db2.gz RXUDWBLNBLUCQH-QGZVFWFLSA-N 2 1 374.485 0.598 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850387 246319775 /nfs/dbraw/zinc/31/97/75/246319775.db2.gz LHXBQARYLGKHHI-JKSUJKDBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850387 246319779 /nfs/dbraw/zinc/31/97/79/246319779.db2.gz LHXBQARYLGKHHI-JKSUJKDBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419865909 246336607 /nfs/dbraw/zinc/33/66/07/246336607.db2.gz BOJKFZRQICKRHR-RBSFLKMASA-N 2 1 352.479 0.084 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419869322 246337496 /nfs/dbraw/zinc/33/74/96/246337496.db2.gz NDPPCFUPGMGUHR-KRWDZBQOSA-N 2 1 367.538 0.026 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419933521 246376244 /nfs/dbraw/zinc/37/62/44/246376244.db2.gz FFNIAIWZKYXYDZ-HRCADAONSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419876876 246343082 /nfs/dbraw/zinc/34/30/82/246343082.db2.gz FKUQLTBXZVWVNM-IEBWSBKVSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419889153 246351443 /nfs/dbraw/zinc/35/14/43/246351443.db2.gz GOLLUBIVSMBLQJ-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000419892762 246353602 /nfs/dbraw/zinc/35/36/02/246353602.db2.gz JTLASVMTWRGEQO-ROUUACIJSA-N 2 1 358.486 0.759 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419960421 246388387 /nfs/dbraw/zinc/38/83/87/246388387.db2.gz RRIURYLHKFKWSG-UXLLHSPISA-N 2 1 350.507 0.951 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419935938 246378627 /nfs/dbraw/zinc/37/86/27/246378627.db2.gz JYHIHPAMBQJTSY-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420350384 246548566 /nfs/dbraw/zinc/54/85/66/246548566.db2.gz GQPOGXTWWKWAAI-FCEWJHQRSA-N 2 1 360.502 0.945 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@@H+]1C ZINC000423393088 247017265 /nfs/dbraw/zinc/01/72/65/247017265.db2.gz YGMHVQHLOSZVEH-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@H+]1C ZINC000423393088 247017270 /nfs/dbraw/zinc/01/72/70/247017270.db2.gz YGMHVQHLOSZVEH-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000423392362 247017823 /nfs/dbraw/zinc/01/78/23/247017823.db2.gz QGIUFXSWQIFFHQ-HRCADAONSA-N 2 1 366.506 0.141 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)CC1 ZINC000423394082 247020408 /nfs/dbraw/zinc/02/04/08/247020408.db2.gz ZLEXNUBJERWVPH-SFHVURJKSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470797 247033466 /nfs/dbraw/zinc/03/34/66/247033466.db2.gz GUGOIXNGDZLXAO-WZGPROSRSA-N 2 1 370.497 0.773 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423515996 247039058 /nfs/dbraw/zinc/03/90/58/247039058.db2.gz AJPCXJPPPDPRED-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423515996 247039061 /nfs/dbraw/zinc/03/90/61/247039061.db2.gz AJPCXJPPPDPRED-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423529094 247040961 /nfs/dbraw/zinc/04/09/61/247040961.db2.gz VGPIHRZITJZGNJ-DLBZAZTESA-N 2 1 362.449 0.631 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423525820 247041978 /nfs/dbraw/zinc/04/19/78/247041978.db2.gz KTPOTXAYRAOOJJ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423525820 247041982 /nfs/dbraw/zinc/04/19/82/247041982.db2.gz KTPOTXAYRAOOJJ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532828 247043151 /nfs/dbraw/zinc/04/31/51/247043151.db2.gz VYCVXVRVXLYQHV-YJBOKZPZSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@H+]1CCOC ZINC000423532828 247043157 /nfs/dbraw/zinc/04/31/57/247043157.db2.gz VYCVXVRVXLYQHV-YJBOKZPZSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423534060 247043761 /nfs/dbraw/zinc/04/37/61/247043761.db2.gz ZIJBVIXJRSAMHN-GVDBMIGSSA-N 2 1 368.522 0.389 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423534060 247043765 /nfs/dbraw/zinc/04/37/65/247043765.db2.gz ZIJBVIXJRSAMHN-GVDBMIGSSA-N 2 1 368.522 0.389 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423628341 247084348 /nfs/dbraw/zinc/08/43/48/247084348.db2.gz WBYDODBMFDDVBN-OAHLLOKOSA-N 2 1 354.495 0.143 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423656449 247097148 /nfs/dbraw/zinc/09/71/48/247097148.db2.gz UHGLZOUDZBKFRU-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423656449 247097152 /nfs/dbraw/zinc/09/71/52/247097152.db2.gz UHGLZOUDZBKFRU-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423788621 247142462 /nfs/dbraw/zinc/14/24/62/247142462.db2.gz YALSVJSUDFFOHM-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)[C@H](C)[NH3+] ZINC000423921772 247150268 /nfs/dbraw/zinc/15/02/68/247150268.db2.gz IQKPXSUSSBLZSI-RFGFWPKPSA-N 2 1 352.458 0.901 20 0 FCADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423924743 247150539 /nfs/dbraw/zinc/15/05/39/247150539.db2.gz MJDQOYCDHNKXRH-IHRRRGAJSA-N 2 1 352.458 0.807 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C[NH3+] ZINC000424007319 247160747 /nfs/dbraw/zinc/16/07/47/247160747.db2.gz VFNLWMGITVLANR-IXDOHACOSA-N 2 1 366.506 0.143 20 0 FCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423928411 247152427 /nfs/dbraw/zinc/15/24/27/247152427.db2.gz SAJZDBMSBFKACG-IHRRRGAJSA-N 2 1 352.458 0.964 20 0 FCADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423975149 247155438 /nfs/dbraw/zinc/15/54/38/247155438.db2.gz CFYJLQJZVZYPHA-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000423995790 247159305 /nfs/dbraw/zinc/15/93/05/247159305.db2.gz FNRMXCSFMMRYKE-GOSISDBHSA-N 2 1 362.474 0.630 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000423995790 247159311 /nfs/dbraw/zinc/15/93/11/247159311.db2.gz FNRMXCSFMMRYKE-GOSISDBHSA-N 2 1 362.474 0.630 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423703610 247116702 /nfs/dbraw/zinc/11/67/02/247116702.db2.gz CEUUPKHWTMRTLE-ROUUACIJSA-N 2 1 358.486 0.645 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000423717891 247122253 /nfs/dbraw/zinc/12/22/53/247122253.db2.gz BFGWTVYLUAEWAD-PKOBYXMFSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423718247 247124693 /nfs/dbraw/zinc/12/46/93/247124693.db2.gz KXGVXNWYOALRTQ-MRXNPFEDSA-N 2 1 361.490 0.073 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423742050 247135646 /nfs/dbraw/zinc/13/56/46/247135646.db2.gz UDCRXPPDSOQPIM-QXAKKESOSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423742050 247135651 /nfs/dbraw/zinc/13/56/51/247135651.db2.gz UDCRXPPDSOQPIM-QXAKKESOSA-N 2 1 372.513 0.958 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424144317 247171347 /nfs/dbraw/zinc/17/13/47/247171347.db2.gz LDNVMVUCZFZDCT-CQSZACIVSA-N 2 1 362.478 0.113 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000424217070 247178604 /nfs/dbraw/zinc/17/86/04/247178604.db2.gz KLSXVDMNBWSTTM-UHFFFAOYSA-N 2 1 350.467 0.385 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424500726 247243916 /nfs/dbraw/zinc/24/39/16/247243916.db2.gz DDZIGKBCRMWVBJ-GJZGRUSLSA-N 2 1 361.490 0.934 20 0 FCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526473 247252765 /nfs/dbraw/zinc/25/27/65/247252765.db2.gz CKIJZCXVGZZOHS-LSDHHAIUSA-N 2 1 363.462 0.056 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526473 247252767 /nfs/dbraw/zinc/25/27/67/247252767.db2.gz CKIJZCXVGZZOHS-LSDHHAIUSA-N 2 1 363.462 0.056 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000424449934 247221257 /nfs/dbraw/zinc/22/12/57/247221257.db2.gz UXIGDMZXTDGFSK-LSDHHAIUSA-N 2 1 367.413 0.268 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424536816 247255716 /nfs/dbraw/zinc/25/57/16/247255716.db2.gz BOFWFYDJIZWSSA-OKZBNKHCSA-N 2 1 356.470 0.573 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000424540645 247258140 /nfs/dbraw/zinc/25/81/40/247258140.db2.gz DFDDPSNNNAAPIP-JKSUJKDBSA-N 2 1 366.506 0.062 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000424548911 247260750 /nfs/dbraw/zinc/26/07/50/247260750.db2.gz QMKIAMXDWLAHTG-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP c1cn([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500945 247346770 /nfs/dbraw/zinc/34/67/70/247346770.db2.gz DSELMAYSNOSXOW-HDICACEKSA-N 2 1 374.493 0.860 20 0 FCADMP c1cn([C@@H]2CCC[N@@H+](CCOCC[NH+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500945 247346773 /nfs/dbraw/zinc/34/67/73/247346773.db2.gz DSELMAYSNOSXOW-HDICACEKSA-N 2 1 374.493 0.860 20 0 FCADMP c1cn([C@@H]2CCC[N@H+](CCOCC[NH+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500945 247346776 /nfs/dbraw/zinc/34/67/76/247346776.db2.gz DSELMAYSNOSXOW-HDICACEKSA-N 2 1 374.493 0.860 20 0 FCADMP Cn1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435373847 247995123 /nfs/dbraw/zinc/99/51/23/247995123.db2.gz VTTRQAZYARYONI-KRWDZBQOSA-N 2 1 357.458 0.623 20 0 FCADMP Cn1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435373847 247995126 /nfs/dbraw/zinc/99/51/26/247995126.db2.gz VTTRQAZYARYONI-KRWDZBQOSA-N 2 1 357.458 0.623 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000435562917 248001037 /nfs/dbraw/zinc/00/10/37/248001037.db2.gz JVNAHIZPVBHFIR-CVEARBPZSA-N 2 1 361.490 0.612 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000435562917 248001039 /nfs/dbraw/zinc/00/10/39/248001039.db2.gz JVNAHIZPVBHFIR-CVEARBPZSA-N 2 1 361.490 0.612 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438897996 248101344 /nfs/dbraw/zinc/10/13/44/248101344.db2.gz WURUDZHEWNZBSL-INIZCTEOSA-N 2 1 357.458 0.364 20 0 FCADMP CCOC(=O)Cn1nc(C)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1C ZINC000438215208 248078337 /nfs/dbraw/zinc/07/83/37/248078337.db2.gz YJECTYPCAXGHOJ-UHFFFAOYSA-N 2 1 365.478 0.317 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000438897650 248100842 /nfs/dbraw/zinc/10/08/42/248100842.db2.gz UZRFVSKFRKQIDZ-HNNXBMFYSA-N 2 1 361.446 0.642 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000439544526 248131270 /nfs/dbraw/zinc/13/12/70/248131270.db2.gz RZLYTPLVWHDCQD-UHFFFAOYSA-N 2 1 363.462 0.630 20 0 FCADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441353807 248249841 /nfs/dbraw/zinc/24/98/41/248249841.db2.gz HGPBUXXDUQCJJP-UHFFFAOYSA-N 2 1 364.538 0.681 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH2+]3)c(=O)n2C ZINC000442767226 248295614 /nfs/dbraw/zinc/29/56/14/248295614.db2.gz QHZRPPKJZOEWJI-PBWFPOADSA-N 2 1 360.462 0.039 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442758719 248296086 /nfs/dbraw/zinc/29/60/86/248296086.db2.gz BOLNDVONTVEGNY-OLZOCXBDSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442758719 248296088 /nfs/dbraw/zinc/29/60/88/248296088.db2.gz BOLNDVONTVEGNY-OLZOCXBDSA-N 2 1 351.447 0.998 20 0 FCADMP CNc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443522715 248330472 /nfs/dbraw/zinc/33/04/72/248330472.db2.gz MUWDGQXAERAMBN-AJNGGQMLSA-N 2 1 362.526 0.393 20 0 FCADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000444353838 248355924 /nfs/dbraw/zinc/35/59/24/248355924.db2.gz RXYNTKJNVTXUPE-QAPCUYQASA-N 2 1 353.507 0.933 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446140343 248382812 /nfs/dbraw/zinc/38/28/12/248382812.db2.gz UZRVATHCJOPBDB-OAHLLOKOSA-N 2 1 353.511 0.700 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446370327 248387705 /nfs/dbraw/zinc/38/77/05/248387705.db2.gz RMTNIXFCDYXHHW-ZSZQSSIHSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000452565915 249322462 /nfs/dbraw/zinc/32/24/62/249322462.db2.gz NKWPUVBEKKZRTB-MZBWOGCUSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000452565915 249322465 /nfs/dbraw/zinc/32/24/65/249322465.db2.gz NKWPUVBEKKZRTB-MZBWOGCUSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000452565915 249322468 /nfs/dbraw/zinc/32/24/68/249322468.db2.gz NKWPUVBEKKZRTB-MZBWOGCUSA-N 2 1 352.523 0.783 20 0 FCADMP CC1[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452967654 249339031 /nfs/dbraw/zinc/33/90/31/249339031.db2.gz CBMDIJYQMFMJFN-DWMDIXPDSA-N 2 1 360.502 0.194 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459931369 249794687 /nfs/dbraw/zinc/79/46/87/249794687.db2.gz IYJOAIQGJAJDMB-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270708017 211252075 /nfs/dbraw/zinc/25/20/75/211252075.db2.gz KLYOMTIZCBHWAC-INIZCTEOSA-N 2 1 364.494 0.067 20 0 FCADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007385 250020912 /nfs/dbraw/zinc/02/09/12/250020912.db2.gz BJGPXUFQWVZRQI-HOCLYGCPSA-N 2 1 363.458 0.914 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000472279830 250142713 /nfs/dbraw/zinc/14/27/13/250142713.db2.gz VPFCYECPCBLODO-ZWKOTPCHSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111216 250314843 /nfs/dbraw/zinc/31/48/43/250314843.db2.gz XZDXBROUFSXTIJ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000481111216 250314846 /nfs/dbraw/zinc/31/48/46/250314846.db2.gz XZDXBROUFSXTIJ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746255 250351594 /nfs/dbraw/zinc/35/15/94/250351594.db2.gz VBVXPJYKVDFDIF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746255 250351598 /nfs/dbraw/zinc/35/15/98/250351598.db2.gz VBVXPJYKVDFDIF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCSC1 ZINC000481797635 250362775 /nfs/dbraw/zinc/36/27/75/250362775.db2.gz SLACQMGCHXAZHH-CZUORRHYSA-N 2 1 357.524 0.063 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879239 250370635 /nfs/dbraw/zinc/37/06/35/250370635.db2.gz NDRSWWXIWMNJEH-CVEARBPZSA-N 2 1 368.522 0.044 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000269700548 211047797 /nfs/dbraw/zinc/04/77/97/211047797.db2.gz LXZACVMJOWEBIU-HNNXBMFYSA-N 2 1 368.865 0.502 20 0 FCADMP C[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)N1CC[NH+](C)CC1 ZINC000269657937 211037209 /nfs/dbraw/zinc/03/72/09/211037209.db2.gz HUDRQWKOZVLEKD-WBVHZDCISA-N 2 1 360.506 0.796 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000269519603 211001391 /nfs/dbraw/zinc/00/13/91/211001391.db2.gz VKVWCMVMAJQYNE-HNNXBMFYSA-N 2 1 350.467 0.563 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000269519603 211001393 /nfs/dbraw/zinc/00/13/93/211001393.db2.gz VKVWCMVMAJQYNE-HNNXBMFYSA-N 2 1 350.467 0.563 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413075483 532991916 /nfs/dbraw/zinc/99/19/16/532991916.db2.gz PPHRZYFXJMTQGC-HRCADAONSA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CC[N@@H+](C)C1 ZINC000413098736 532993316 /nfs/dbraw/zinc/99/33/16/532993316.db2.gz COWYQIAYEZXJJX-BZUAXINKSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC[NH+](C)C1 ZINC000413098736 532993321 /nfs/dbraw/zinc/99/33/21/532993321.db2.gz COWYQIAYEZXJJX-BZUAXINKSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC[NH+](C)C1 ZINC000413098736 532993329 /nfs/dbraw/zinc/99/33/29/532993329.db2.gz COWYQIAYEZXJJX-BZUAXINKSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413160522 532998007 /nfs/dbraw/zinc/99/80/07/532998007.db2.gz CYFLJEXNUVSKJB-HRCADAONSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413160522 532998012 /nfs/dbraw/zinc/99/80/12/532998012.db2.gz CYFLJEXNUVSKJB-HRCADAONSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413160522 532998016 /nfs/dbraw/zinc/99/80/16/532998016.db2.gz CYFLJEXNUVSKJB-HRCADAONSA-N 2 1 354.495 0.853 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000069506669 208031964 /nfs/dbraw/zinc/03/19/64/208031964.db2.gz QXBGHWZUMNAWTN-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000105319593 208196378 /nfs/dbraw/zinc/19/63/78/208196378.db2.gz WWYUECQBMLDLPH-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](CCCO)C1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000115547486 208326292 /nfs/dbraw/zinc/32/62/92/208326292.db2.gz FUVSGPYQTOPLMS-UHFFFAOYSA-N 2 1 368.503 0.954 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616871 208388158 /nfs/dbraw/zinc/38/81/58/208388158.db2.gz FPYYVABKNWDODX-JKSUJKDBSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000177481768 209026175 /nfs/dbraw/zinc/02/61/75/209026175.db2.gz UBCATZFPNYDCEP-GASCZTMLSA-N 2 1 352.479 0.750 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884443 209064133 /nfs/dbraw/zinc/06/41/33/209064133.db2.gz MTLRMFQQYLWEDL-VQTJNVASSA-N 2 1 374.529 0.810 20 0 FCADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000412324390 533315508 /nfs/dbraw/zinc/31/55/08/533315508.db2.gz UPJROCJEZYWGCM-OAHLLOKOSA-N 2 1 370.457 0.988 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000195053668 229271166 /nfs/dbraw/zinc/27/11/66/229271166.db2.gz LQGIRILZXBVKOG-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000195053668 229271171 /nfs/dbraw/zinc/27/11/71/229271171.db2.gz LQGIRILZXBVKOG-CALCHBBNSA-N 2 1 369.554 0.763 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410429797 230076044 /nfs/dbraw/zinc/07/60/44/230076044.db2.gz DKGZKYWDQRFJNR-INIZCTEOSA-N 2 1 354.495 0.108 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410956771 230325557 /nfs/dbraw/zinc/32/55/57/230325557.db2.gz ZKFQNWQPEUJCTQ-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000411026065 230354474 /nfs/dbraw/zinc/35/44/74/230354474.db2.gz BSAPVIOVMPHNPJ-JKSUJKDBSA-N 2 1 364.515 0.801 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000934259882 674289160 /nfs/dbraw/zinc/28/91/60/674289160.db2.gz LCJAFAYKALBWQF-MSOLQXFVSA-N 2 1 352.523 0.506 20 0 FCADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000278543934 488880738 /nfs/dbraw/zinc/88/07/38/488880738.db2.gz GQJMWPZWDQUNPC-MRXNPFEDSA-N 2 1 368.503 0.539 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000364053234 488918323 /nfs/dbraw/zinc/91/83/23/488918323.db2.gz DAWXVLAPGADYNA-BZUAXINKSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000364053234 488918325 /nfs/dbraw/zinc/91/83/25/488918325.db2.gz DAWXVLAPGADYNA-BZUAXINKSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000364053234 488918327 /nfs/dbraw/zinc/91/83/27/488918327.db2.gz DAWXVLAPGADYNA-BZUAXINKSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000364053234 488918329 /nfs/dbraw/zinc/91/83/29/488918329.db2.gz DAWXVLAPGADYNA-BZUAXINKSA-N 2 1 368.478 0.128 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000288145447 488949289 /nfs/dbraw/zinc/94/92/89/488949289.db2.gz NKJOUHQQMBAOTI-UHFFFAOYSA-N 2 1 370.457 0.832 20 0 FCADMP C[C@H](CN1CCOCC1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000329039905 488962929 /nfs/dbraw/zinc/96/29/29/488962929.db2.gz HWHBAGLOUVAIRS-QGZVFWFLSA-N 2 1 366.506 0.111 20 0 FCADMP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958510 488152435 /nfs/dbraw/zinc/15/24/35/488152435.db2.gz SZVPQPCZIYGSOD-QGZVFWFLSA-N 2 1 369.506 0.735 20 0 FCADMP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)OC ZINC000051957267 488153011 /nfs/dbraw/zinc/15/30/11/488153011.db2.gz NSHYITYLZZPCPE-QAPCUYQASA-N 2 1 369.506 0.735 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562828009 491193764 /nfs/dbraw/zinc/19/37/64/491193764.db2.gz BLTBQZYURIRNRR-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562828009 491193768 /nfs/dbraw/zinc/19/37/68/491193768.db2.gz BLTBQZYURIRNRR-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000569793452 491191937 /nfs/dbraw/zinc/19/19/37/491191937.db2.gz NLSDYNQBJXJQFE-LSDHHAIUSA-N 2 1 351.495 0.323 20 0 FCADMP CC[N@H+](C)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000066987409 488342187 /nfs/dbraw/zinc/34/21/87/488342187.db2.gz NNNHHPJCXYYGAV-UHFFFAOYSA-N 2 1 361.490 0.825 20 0 FCADMP CC[N@@H+](C)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000066987409 488342189 /nfs/dbraw/zinc/34/21/89/488342189.db2.gz NNNHHPJCXYYGAV-UHFFFAOYSA-N 2 1 361.490 0.825 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569795786 491192897 /nfs/dbraw/zinc/19/28/97/491192897.db2.gz OEGJOBOLIIDSTQ-INMHGKMJSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569795786 491192899 /nfs/dbraw/zinc/19/28/99/491192899.db2.gz OEGJOBOLIIDSTQ-INMHGKMJSA-N 2 1 362.474 0.103 20 0 FCADMP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069017127 488370411 /nfs/dbraw/zinc/37/04/11/488370411.db2.gz RWIARTNJYXORPN-ZNMIVQPWSA-N 2 1 355.479 0.485 20 0 FCADMP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069017127 488370412 /nfs/dbraw/zinc/37/04/12/488370412.db2.gz RWIARTNJYXORPN-ZNMIVQPWSA-N 2 1 355.479 0.485 20 0 FCADMP CC(C)[NH+](CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)C ZINC000069381113 488372119 /nfs/dbraw/zinc/37/21/19/488372119.db2.gz IYSKRLMQODQJIN-UHFFFAOYSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000073617469 488385321 /nfs/dbraw/zinc/38/53/21/488385321.db2.gz QFYDWNQGNOXXCQ-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073675853 488385844 /nfs/dbraw/zinc/38/58/44/488385844.db2.gz DUJXYPTWMYFUIN-IBGZPJMESA-N 2 1 370.538 0.881 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073967841 488386980 /nfs/dbraw/zinc/38/69/80/488386980.db2.gz AUIDKQWKGZRONV-GOSISDBHSA-N 2 1 356.511 0.633 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152716 488388214 /nfs/dbraw/zinc/38/82/14/488388214.db2.gz LNMWDXPJOOXREK-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074193146 488388344 /nfs/dbraw/zinc/38/83/44/488388344.db2.gz YXSBFOCLIGJPBX-IRXDYDNUSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1=O ZINC000074191173 488388422 /nfs/dbraw/zinc/38/84/22/488388422.db2.gz UXJPZEZFVRJOAW-LJQANCHMSA-N 2 1 372.513 0.783 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000184928385 488398896 /nfs/dbraw/zinc/39/88/96/488398896.db2.gz CPIBGWSOBIJMES-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682482 488402190 /nfs/dbraw/zinc/40/21/90/488402190.db2.gz VBSIAQJDIYCZME-LSDHHAIUSA-N 2 1 369.535 0.941 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)CN3CC[NH+](C)CC3)CC2)c1 ZINC000076410746 488404114 /nfs/dbraw/zinc/40/41/14/488404114.db2.gz SLVJDNUHKDXUBD-UHFFFAOYSA-N 2 1 373.545 0.871 20 0 FCADMP CCOC(=O)c1nn(C)cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000186343887 488406179 /nfs/dbraw/zinc/40/61/79/488406179.db2.gz MMCLOSJZWLADKW-UHFFFAOYSA-N 2 1 351.495 0.960 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000187167999 488408790 /nfs/dbraw/zinc/40/87/90/488408790.db2.gz MUJCMGVJSWDNEI-UHFFFAOYSA-N 2 1 364.490 0.632 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000187167999 488408794 /nfs/dbraw/zinc/40/87/94/488408794.db2.gz MUJCMGVJSWDNEI-UHFFFAOYSA-N 2 1 364.490 0.632 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000554342755 491196693 /nfs/dbraw/zinc/19/66/93/491196693.db2.gz DHRXFXLXBOXPDW-RDJZCZTQSA-N 2 1 368.522 0.591 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000189430418 488414774 /nfs/dbraw/zinc/41/47/74/488414774.db2.gz MQGJBHYMDITFBX-OAHLLOKOSA-N 2 1 357.524 0.682 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(Nc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268445289 488419440 /nfs/dbraw/zinc/41/94/40/488419440.db2.gz UWOYKFNQANJBHK-UHFFFAOYSA-N 2 1 358.450 0.647 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(-n3cccn3)nc(N)n2)CC1 ZINC000268454338 488420394 /nfs/dbraw/zinc/42/03/94/488420394.db2.gz WIAHRGDEPSGOJO-UHFFFAOYSA-N 2 1 372.477 0.625 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554342639 491197206 /nfs/dbraw/zinc/19/72/06/491197206.db2.gz BTTJJMVTXOTNDQ-QGZVFWFLSA-N 2 1 369.554 0.175 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000192802671 488424607 /nfs/dbraw/zinc/42/46/07/488424607.db2.gz NHDZZQCMEKLBOA-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000079253282 488428597 /nfs/dbraw/zinc/42/85/97/488428597.db2.gz SUGGKYXUMWRXFC-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873427 488434687 /nfs/dbraw/zinc/43/46/87/488434687.db2.gz PKZRLHIGIKEBHA-HNNXBMFYSA-N 2 1 359.478 0.541 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000080450128 488435654 /nfs/dbraw/zinc/43/56/54/488435654.db2.gz WUBRMDLZROYKCB-MRXNPFEDSA-N 2 1 355.527 0.016 20 0 FCADMP O=C(C[C@@H]1CSCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000238052511 488458356 /nfs/dbraw/zinc/45/83/56/488458356.db2.gz JSCOPGKJJHDRHC-OAHLLOKOSA-N 2 1 364.519 0.200 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000245659562 488465572 /nfs/dbraw/zinc/46/55/72/488465572.db2.gz CYVYIJSQFWKZQZ-JFIYKMOQSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000245659562 488465575 /nfs/dbraw/zinc/46/55/75/488465575.db2.gz CYVYIJSQFWKZQZ-JFIYKMOQSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000246380124 488472148 /nfs/dbraw/zinc/47/21/48/488472148.db2.gz QQDBCEDPBHRCCC-OKZBNKHCSA-N 2 1 369.554 0.668 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC000246491748 488473405 /nfs/dbraw/zinc/47/34/05/488473405.db2.gz SMSJNGDKWHLEKN-ROUUACIJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246549821 488473480 /nfs/dbraw/zinc/47/34/80/488473480.db2.gz XDWXHFFPFIQMIO-CABCVRRESA-N 2 1 364.494 0.620 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288104 488487241 /nfs/dbraw/zinc/48/72/41/488487241.db2.gz JQJRKXHUVLFTQA-RBUKOAKNSA-N 2 1 360.502 0.860 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288104 488487244 /nfs/dbraw/zinc/48/72/44/488487244.db2.gz JQJRKXHUVLFTQA-RBUKOAKNSA-N 2 1 360.502 0.860 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288104 488487247 /nfs/dbraw/zinc/48/72/47/488487247.db2.gz JQJRKXHUVLFTQA-RBUKOAKNSA-N 2 1 360.502 0.860 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000248372925 488495415 /nfs/dbraw/zinc/49/54/15/488495415.db2.gz DTOKTRNNFLXFLE-HOTGVXAUSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000249481729 488510363 /nfs/dbraw/zinc/51/03/63/488510363.db2.gz WZBHPTNNXQMJSJ-FUHWJXTLSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000249481729 488510364 /nfs/dbraw/zinc/51/03/64/488510364.db2.gz WZBHPTNNXQMJSJ-FUHWJXTLSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000249501077 488510388 /nfs/dbraw/zinc/51/03/88/488510388.db2.gz XFLMYZKEZKBYEZ-ULQDDVLXSA-N 2 1 368.522 0.437 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000249501077 488510389 /nfs/dbraw/zinc/51/03/89/488510389.db2.gz XFLMYZKEZKBYEZ-ULQDDVLXSA-N 2 1 368.522 0.437 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108555006 488519479 /nfs/dbraw/zinc/51/94/79/488519479.db2.gz LLJFMEYQWLERMP-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000108555006 488519482 /nfs/dbraw/zinc/51/94/82/488519482.db2.gz LLJFMEYQWLERMP-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000109182031 488522423 /nfs/dbraw/zinc/52/24/23/488522423.db2.gz PBWOLGVIIUEFGV-GOSISDBHSA-N 2 1 374.485 0.780 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000109182031 488522424 /nfs/dbraw/zinc/52/24/24/488522424.db2.gz PBWOLGVIIUEFGV-GOSISDBHSA-N 2 1 374.485 0.780 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261653995 488529520 /nfs/dbraw/zinc/52/95/20/488529520.db2.gz JXYMPBGMYXGKKH-OAHLLOKOSA-N 2 1 368.503 0.224 20 0 FCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271615367 488531723 /nfs/dbraw/zinc/53/17/23/488531723.db2.gz BEXCBJRHIADEFA-ZDUSSCGKSA-N 2 1 354.476 0.149 20 0 FCADMP C[C@](N)(C(=O)N1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000261876989 488539453 /nfs/dbraw/zinc/53/94/53/488539453.db2.gz SWYMVKQSRRPDPV-OAHLLOKOSA-N 2 1 356.264 0.760 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261896044 488540588 /nfs/dbraw/zinc/54/05/88/488540588.db2.gz RBWOGUPKAQUKKS-KKUMJFAQSA-N 2 1 367.494 0.189 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000116399995 488547553 /nfs/dbraw/zinc/54/75/53/488547553.db2.gz YASKXFJIWCQUBC-ZGXWSNOMSA-N 2 1 368.566 0.558 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000116399995 488547554 /nfs/dbraw/zinc/54/75/54/488547554.db2.gz YASKXFJIWCQUBC-ZGXWSNOMSA-N 2 1 368.566 0.558 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000116399995 488547555 /nfs/dbraw/zinc/54/75/55/488547555.db2.gz YASKXFJIWCQUBC-ZGXWSNOMSA-N 2 1 368.566 0.558 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262070231 488549065 /nfs/dbraw/zinc/54/90/65/488549065.db2.gz PBWASFDPBVIOEU-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262070231 488549067 /nfs/dbraw/zinc/54/90/67/488549067.db2.gz PBWASFDPBVIOEU-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262135249 488552792 /nfs/dbraw/zinc/55/27/92/488552792.db2.gz GUKPJZJRLOIBLB-INIZCTEOSA-N 2 1 361.490 0.464 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646692 488562139 /nfs/dbraw/zinc/56/21/39/488562139.db2.gz NVBPVBXDCHMXOA-SJORKVTESA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262299477 488562450 /nfs/dbraw/zinc/56/24/50/488562450.db2.gz XGUSWVSKMIXPDO-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308187 488562962 /nfs/dbraw/zinc/56/29/62/488562962.db2.gz YMXHBDJTUREVLT-IRXDYDNUSA-N 2 1 350.507 0.969 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000262308189 488563082 /nfs/dbraw/zinc/56/30/82/488563082.db2.gz YMXHBDJTUREVLT-SJORKVTESA-N 2 1 350.507 0.969 20 0 FCADMP COC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000262337883 488564787 /nfs/dbraw/zinc/56/47/87/488564787.db2.gz SIASLPIPYMKBKC-GOSISDBHSA-N 2 1 365.474 0.766 20 0 FCADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)nc1 ZINC000121333180 488566800 /nfs/dbraw/zinc/56/68/00/488566800.db2.gz IBNFMSUVMHSOQW-MRXNPFEDSA-N 2 1 359.474 0.815 20 0 FCADMP Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)N3CCN(C)CC3)C2)nc1 ZINC000121333180 488566802 /nfs/dbraw/zinc/56/68/02/488566802.db2.gz IBNFMSUVMHSOQW-MRXNPFEDSA-N 2 1 359.474 0.815 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262437886 488570545 /nfs/dbraw/zinc/57/05/45/488570545.db2.gz XPOJOXLGDCPMGO-UHFFFAOYSA-N 2 1 353.492 0.365 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262459801 488571705 /nfs/dbraw/zinc/57/17/05/488571705.db2.gz WXRPQIGBDXGHHM-NVXWUHKLSA-N 2 1 360.458 0.701 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1=O ZINC000262508926 488574206 /nfs/dbraw/zinc/57/42/06/488574206.db2.gz MIHMTKQMTQCBLF-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554573294 491210642 /nfs/dbraw/zinc/21/06/42/491210642.db2.gz WWCNDDNNYMQIJW-SJORKVTESA-N 2 1 355.527 0.111 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000570027260 491210696 /nfs/dbraw/zinc/21/06/96/491210696.db2.gz HNUIDJUHVFRIGN-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000570027260 491210699 /nfs/dbraw/zinc/21/06/99/491210699.db2.gz HNUIDJUHVFRIGN-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C ZINC000124649760 488594377 /nfs/dbraw/zinc/59/43/77/488594377.db2.gz DJUAVJPHOQMFQD-CQSZACIVSA-N 2 1 350.467 0.233 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](C)CC1 ZINC000262889324 488598306 /nfs/dbraw/zinc/59/83/06/488598306.db2.gz ZZSSDYKYTGSAQT-FUHWJXTLSA-N 2 1 362.522 0.809 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2nccc(C)n2n1 ZINC000125559022 488602395 /nfs/dbraw/zinc/60/23/95/488602395.db2.gz VKWKIEFPQUTGJH-HNNXBMFYSA-N 2 1 359.478 0.921 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263257562 488607945 /nfs/dbraw/zinc/60/79/45/488607945.db2.gz RLCSDMSDPLDZGF-AIANPOQGSA-N 2 1 354.495 0.186 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000263829960 488629699 /nfs/dbraw/zinc/62/96/99/488629699.db2.gz UBZRWIDQYAMXTM-CYBMUJFWSA-N 2 1 372.491 0.415 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273159373 488635449 /nfs/dbraw/zinc/63/54/49/488635449.db2.gz ZCQGUMLUUANGLO-QFBILLFUSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159334 488635500 /nfs/dbraw/zinc/63/55/00/488635500.db2.gz ZBWUZEIBYUMBDJ-LPHOPBHVSA-N 2 1 360.502 0.505 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159334 488635502 /nfs/dbraw/zinc/63/55/02/488635502.db2.gz ZBWUZEIBYUMBDJ-LPHOPBHVSA-N 2 1 360.502 0.505 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159336 488635560 /nfs/dbraw/zinc/63/55/60/488635560.db2.gz ZBWUZEIBYUMBDJ-QFBILLFUSA-N 2 1 360.502 0.505 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159336 488635563 /nfs/dbraw/zinc/63/55/63/488635563.db2.gz ZBWUZEIBYUMBDJ-QFBILLFUSA-N 2 1 360.502 0.505 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130660994 488639416 /nfs/dbraw/zinc/63/94/16/488639416.db2.gz SEZHQXQRYVKCBM-HZPDHXFCSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)N1CC[NH+](C)CC1 ZINC000273341800 488645040 /nfs/dbraw/zinc/64/50/40/488645040.db2.gz QQGGOWNZSZMQAP-HOJAQTOUSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)N1CC[NH+](C)CC1 ZINC000273341800 488645042 /nfs/dbraw/zinc/64/50/42/488645042.db2.gz QQGGOWNZSZMQAP-HOJAQTOUSA-N 2 1 374.529 0.622 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1cccs1 ZINC000264524608 488682445 /nfs/dbraw/zinc/68/24/45/488682445.db2.gz XCTDNBSRMGBXPT-KBPBESRZSA-N 2 1 367.519 0.990 20 0 FCADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000150761011 488699682 /nfs/dbraw/zinc/69/96/82/488699682.db2.gz TWBBYESDGFJZBT-GOSISDBHSA-N 2 1 372.517 0.933 20 0 FCADMP COc1cccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713893 488702224 /nfs/dbraw/zinc/70/22/24/488702224.db2.gz DZDJYBJGPWQBOZ-AEFFLSMTSA-N 2 1 363.506 0.843 20 0 FCADMP CCC(=O)N1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000151762776 488709713 /nfs/dbraw/zinc/70/97/13/488709713.db2.gz QWLZBKUCEASGTC-HNNXBMFYSA-N 2 1 353.511 0.665 20 0 FCADMP CCC(=O)N1CC[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000151762776 488709714 /nfs/dbraw/zinc/70/97/14/488709714.db2.gz QWLZBKUCEASGTC-HNNXBMFYSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000151995194 488712489 /nfs/dbraw/zinc/71/24/89/488712489.db2.gz OOSNWAQKYJMSNV-UKRRQHHQSA-N 2 1 354.520 0.364 20 0 FCADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000151995194 488712491 /nfs/dbraw/zinc/71/24/91/488712491.db2.gz OOSNWAQKYJMSNV-UKRRQHHQSA-N 2 1 354.520 0.364 20 0 FCADMP COCCN1CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000266808509 488732476 /nfs/dbraw/zinc/73/24/76/488732476.db2.gz FKRDOPYFWRJROH-UHFFFAOYSA-N 2 1 360.502 0.838 20 0 FCADMP CCN(CC)C(=O)CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153755557 488734562 /nfs/dbraw/zinc/73/45/62/488734562.db2.gz ZTFJEDVYXRUOFE-OAHLLOKOSA-N 2 1 356.536 0.436 20 0 FCADMP CCN(CC)C(=O)CN1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000153755557 488734566 /nfs/dbraw/zinc/73/45/66/488734566.db2.gz ZTFJEDVYXRUOFE-OAHLLOKOSA-N 2 1 356.536 0.436 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922445 488736556 /nfs/dbraw/zinc/73/65/56/488736556.db2.gz ZVAQVAQLMDSYJV-LSDHHAIUSA-N 2 1 354.520 0.189 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922445 488736557 /nfs/dbraw/zinc/73/65/57/488736557.db2.gz ZVAQVAQLMDSYJV-LSDHHAIUSA-N 2 1 354.520 0.189 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1sccc1C(N)=O ZINC000266917142 488743428 /nfs/dbraw/zinc/74/34/28/488743428.db2.gz KXXMSPSPUXUZCX-UHFFFAOYSA-N 2 1 367.519 0.745 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000266931926 488745246 /nfs/dbraw/zinc/74/52/46/488745246.db2.gz OYWAYNAKTCJDMX-UHFFFAOYSA-N 2 1 374.485 0.898 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266955461 488747515 /nfs/dbraw/zinc/74/75/15/488747515.db2.gz YREFUKFXMPMSBB-UHFFFAOYSA-N 2 1 363.506 0.678 20 0 FCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000158586583 488779270 /nfs/dbraw/zinc/77/92/70/488779270.db2.gz YZYJCUCADFBOTN-UHFFFAOYSA-N 2 1 355.508 0.863 20 0 FCADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000554729780 491221812 /nfs/dbraw/zinc/22/18/12/491221812.db2.gz IPBGJKDKNCXJGS-FHWLQOOXSA-N 2 1 372.517 0.965 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC([N@H+](C)CCO)CC2)C[C@H](C)O1 ZINC000161581816 488797798 /nfs/dbraw/zinc/79/77/98/488797798.db2.gz XFPSAEBOZUCPCZ-HOTGVXAUSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC([N@@H+](C)CCO)CC2)C[C@H](C)O1 ZINC000161581816 488797799 /nfs/dbraw/zinc/79/77/99/488797799.db2.gz XFPSAEBOZUCPCZ-HOTGVXAUSA-N 2 1 370.538 0.972 20 0 FCADMP CCC[C@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000161798531 488799080 /nfs/dbraw/zinc/79/90/80/488799080.db2.gz KSGJDOXTJSIBCZ-ROUUACIJSA-N 2 1 369.554 0.765 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000162462110 488802900 /nfs/dbraw/zinc/80/29/00/488802900.db2.gz VXAWNDDRLIMRCD-INIZCTEOSA-N 2 1 359.474 0.449 20 0 FCADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000163473969 488808031 /nfs/dbraw/zinc/80/80/31/488808031.db2.gz BSCSELHRBBVSKX-QGZVFWFLSA-N 2 1 368.522 0.709 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1CC ZINC000168075808 488812483 /nfs/dbraw/zinc/81/24/83/488812483.db2.gz PRCAVDNTWHFXHX-OAHLLOKOSA-N 2 1 364.494 0.776 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1CC ZINC000168075808 488812486 /nfs/dbraw/zinc/81/24/86/488812486.db2.gz PRCAVDNTWHFXHX-OAHLLOKOSA-N 2 1 364.494 0.776 20 0 FCADMP O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000172305068 488832571 /nfs/dbraw/zinc/83/25/71/488832571.db2.gz LEWBFTLOYHDTDZ-UHFFFAOYSA-N 2 1 374.485 0.712 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172851079 488838944 /nfs/dbraw/zinc/83/89/44/488838944.db2.gz KRPOHRGONDIFAV-LJQANCHMSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172851079 488838945 /nfs/dbraw/zinc/83/89/45/488838945.db2.gz KRPOHRGONDIFAV-LJQANCHMSA-N 2 1 361.486 0.850 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000173579905 488843640 /nfs/dbraw/zinc/84/36/40/488843640.db2.gz YJMGQJBQAFSRNM-UHFFFAOYSA-N 2 1 356.511 0.709 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000174164040 488847678 /nfs/dbraw/zinc/84/76/78/488847678.db2.gz UWMBJPVUZDHWRB-GOSISDBHSA-N 2 1 356.511 0.632 20 0 FCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000174546599 488849649 /nfs/dbraw/zinc/84/96/49/488849649.db2.gz BUDXBLVNFDUKDI-SFHVURJKSA-N 2 1 373.501 0.826 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000174825799 488851598 /nfs/dbraw/zinc/85/15/98/488851598.db2.gz JYZZDAURRFNUOX-QGZVFWFLSA-N 2 1 369.554 0.264 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000175037140 488852817 /nfs/dbraw/zinc/85/28/17/488852817.db2.gz MQIMFOQPQZZOJO-QGZVFWFLSA-N 2 1 365.522 0.761 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000175037140 488852818 /nfs/dbraw/zinc/85/28/18/488852818.db2.gz MQIMFOQPQZZOJO-QGZVFWFLSA-N 2 1 365.522 0.761 20 0 FCADMP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000176287901 488857999 /nfs/dbraw/zinc/85/79/99/488857999.db2.gz UMCMMVUCWAAVDQ-DLBZAZTESA-N 2 1 354.495 0.318 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178885574 488860705 /nfs/dbraw/zinc/86/07/05/488860705.db2.gz XUOKANIXMBWKKI-HZPDHXFCSA-N 2 1 358.552 0.320 20 0 FCADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329334821 488993936 /nfs/dbraw/zinc/99/39/36/488993936.db2.gz KXMWMNUGYAGWSO-MAUKXSAKSA-N 2 1 353.507 0.933 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329351938 488996009 /nfs/dbraw/zinc/99/60/09/488996009.db2.gz FNCZFBYTGIQMJA-QGZVFWFLSA-N 2 1 366.506 0.254 20 0 FCADMP CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329351938 488996013 /nfs/dbraw/zinc/99/60/13/488996013.db2.gz FNCZFBYTGIQMJA-QGZVFWFLSA-N 2 1 366.506 0.254 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211189 491227799 /nfs/dbraw/zinc/22/77/99/491227799.db2.gz OLKMZUVRMBBSGI-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000563210639 491227936 /nfs/dbraw/zinc/22/79/36/491227936.db2.gz FUTBSPYUBCLTME-ZDUSSCGKSA-N 3 1 355.446 0.886 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000563221157 491228128 /nfs/dbraw/zinc/22/81/28/491228128.db2.gz ZQHYPAVBRGQYNF-JZXOWHBKSA-N 2 1 355.523 0.283 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000329722497 489030289 /nfs/dbraw/zinc/03/02/89/489030289.db2.gz NKZGCRLMEIPGOC-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000329722497 489030292 /nfs/dbraw/zinc/03/02/92/489030292.db2.gz NKZGCRLMEIPGOC-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1C1CC1 ZINC000289036044 489037400 /nfs/dbraw/zinc/03/74/00/489037400.db2.gz WHMNWSKZZKNFLV-HUUCEWRRSA-N 2 1 362.474 0.911 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289378507 489063060 /nfs/dbraw/zinc/06/30/60/489063060.db2.gz IWYCLFRZLIFOMW-HNNXBMFYSA-N 2 1 363.506 0.928 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366086299 489142972 /nfs/dbraw/zinc/14/29/72/489142972.db2.gz LOZNNASBNKENJO-LJQANCHMSA-N 2 1 365.522 0.714 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366086299 489142975 /nfs/dbraw/zinc/14/29/75/489142975.db2.gz LOZNNASBNKENJO-LJQANCHMSA-N 2 1 365.522 0.714 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000366242770 489162093 /nfs/dbraw/zinc/16/20/93/489162093.db2.gz CADJHMLISAAPJB-DLBZAZTESA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366242770 489162098 /nfs/dbraw/zinc/16/20/98/489162098.db2.gz CADJHMLISAAPJB-DLBZAZTESA-N 2 1 356.511 0.897 20 0 FCADMP C[N@@H+](C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778481 489164684 /nfs/dbraw/zinc/16/46/84/489164684.db2.gz MOPBBKYUYLAGPN-FXAWDEMLSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778481 489164685 /nfs/dbraw/zinc/16/46/85/489164685.db2.gz MOPBBKYUYLAGPN-FXAWDEMLSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778481 489164688 /nfs/dbraw/zinc/16/46/88/489164688.db2.gz MOPBBKYUYLAGPN-FXAWDEMLSA-N 2 1 372.469 0.638 20 0 FCADMP COC(=O)COc1ccc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000282473721 489166966 /nfs/dbraw/zinc/16/69/66/489166966.db2.gz KWMMYWMHSIXXIU-UHFFFAOYSA-N 2 1 363.458 0.834 20 0 FCADMP COC(=O)COc1ccc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000282473721 489166969 /nfs/dbraw/zinc/16/69/69/489166969.db2.gz KWMMYWMHSIXXIU-UHFFFAOYSA-N 2 1 363.458 0.834 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000331173425 489181054 /nfs/dbraw/zinc/18/10/54/489181054.db2.gz DLRMWOGPFDACPE-UHFFFAOYSA-N 2 1 355.504 0.825 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000331368187 489202268 /nfs/dbraw/zinc/20/22/68/489202268.db2.gz BWPJQIAWCLUDFK-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000283193321 489225092 /nfs/dbraw/zinc/22/50/92/489225092.db2.gz APXAJRWKCRTXMP-ZDUSSCGKSA-N 2 1 356.492 0.161 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C1 ZINC000332838087 489237384 /nfs/dbraw/zinc/23/73/84/489237384.db2.gz GRUWOMQRZKBGPP-DLBZAZTESA-N 2 1 368.522 0.728 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332842762 489238026 /nfs/dbraw/zinc/23/80/26/489238026.db2.gz OIKAKMJXIYZFOG-OKZBNKHCSA-N 2 1 368.522 0.774 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000369469128 489241573 /nfs/dbraw/zinc/24/15/73/489241573.db2.gz QTOFOIAKIJAJSY-ROUUACIJSA-N 2 1 374.485 0.709 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332907909 489245175 /nfs/dbraw/zinc/24/51/75/489245175.db2.gz WRIHMIJTWIYVQW-RCCFBDPRSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332907909 489245177 /nfs/dbraw/zinc/24/51/77/489245177.db2.gz WRIHMIJTWIYVQW-RCCFBDPRSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332907908 489245337 /nfs/dbraw/zinc/24/53/37/489245337.db2.gz WRIHMIJTWIYVQW-OKZBNKHCSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332907908 489245339 /nfs/dbraw/zinc/24/53/39/489245339.db2.gz WRIHMIJTWIYVQW-OKZBNKHCSA-N 2 1 365.518 0.840 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332979685 489253027 /nfs/dbraw/zinc/25/30/27/489253027.db2.gz KYCIAWCMBBXFME-NJAFHUGGSA-N 2 1 367.538 0.299 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000333639485 489262740 /nfs/dbraw/zinc/26/27/40/489262740.db2.gz HWKVOZRLXSMPOJ-JYJNAYRXSA-N 2 1 351.495 0.323 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501427 489267115 /nfs/dbraw/zinc/26/71/15/489267115.db2.gz PPORNQPCPUQHQT-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501427 489267118 /nfs/dbraw/zinc/26/71/18/489267118.db2.gz PPORNQPCPUQHQT-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501427 489267121 /nfs/dbraw/zinc/26/71/21/489267121.db2.gz PPORNQPCPUQHQT-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738429 489269532 /nfs/dbraw/zinc/26/95/32/489269532.db2.gz XVWYCBDPMJJMLO-RYQLBKOJSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738429 489269533 /nfs/dbraw/zinc/26/95/33/489269533.db2.gz XVWYCBDPMJJMLO-RYQLBKOJSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738429 489269534 /nfs/dbraw/zinc/26/95/34/489269534.db2.gz XVWYCBDPMJJMLO-RYQLBKOJSA-N 2 1 366.506 0.744 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000370068295 489313295 /nfs/dbraw/zinc/31/32/95/489313295.db2.gz WQNDFXRNVAOTGU-DLBZAZTESA-N 2 1 374.485 0.975 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000285816635 489321859 /nfs/dbraw/zinc/32/18/59/489321859.db2.gz NPWIKZAKYZRFJL-GOSISDBHSA-N 2 1 360.502 0.687 20 0 FCADMP COC(=O)CNC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000370190802 489325873 /nfs/dbraw/zinc/32/58/73/489325873.db2.gz IVBQJHGDSWNKPG-HUUCEWRRSA-N 2 1 355.479 0.487 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000285907175 489332630 /nfs/dbraw/zinc/33/26/30/489332630.db2.gz JZIPLBOODMEHPQ-UHFFFAOYSA-N 2 1 364.490 0.101 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000362443809 489387736 /nfs/dbraw/zinc/38/77/36/489387736.db2.gz ZOZMDWSFVOQNGD-MRXNPFEDSA-N 2 1 365.522 0.570 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)n1C ZINC000286679515 489417082 /nfs/dbraw/zinc/41/70/82/489417082.db2.gz BJONVQJVMCYOFP-STQMWFEESA-N 2 1 350.467 0.091 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000286768624 489426878 /nfs/dbraw/zinc/42/68/78/489426878.db2.gz YCIRPJBKFMACKL-HNNXBMFYSA-N 2 1 366.462 0.007 20 0 FCADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000570683239 491257445 /nfs/dbraw/zinc/25/74/45/491257445.db2.gz KVFMQYQJRNLFOY-CYBMUJFWSA-N 2 1 364.446 0.388 20 0 FCADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000570683240 491257697 /nfs/dbraw/zinc/25/76/97/491257697.db2.gz KVFMQYQJRNLFOY-ZDUSSCGKSA-N 2 1 364.446 0.388 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC12CCOCC2 ZINC000570683625 491257726 /nfs/dbraw/zinc/25/77/26/491257726.db2.gz YILUDQCSYVXSFP-CQSZACIVSA-N 2 1 350.463 0.538 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021573 489439098 /nfs/dbraw/zinc/43/90/98/489439098.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021573 489439102 /nfs/dbraw/zinc/43/91/02/489439102.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021573 489439105 /nfs/dbraw/zinc/43/91/05/489439105.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021573 489439109 /nfs/dbraw/zinc/43/91/09/489439109.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021573 489439113 /nfs/dbraw/zinc/43/91/13/489439113.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 3 1 353.511 0.175 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371030001 489441407 /nfs/dbraw/zinc/44/14/07/489441407.db2.gz ZJXVGQDGCCUAAF-GOSISDBHSA-N 2 1 369.554 0.622 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC(=O)N1 ZINC000363320890 489451673 /nfs/dbraw/zinc/45/16/73/489451673.db2.gz JVCITJVZOGIZHE-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000287030424 489453954 /nfs/dbraw/zinc/45/39/54/489453954.db2.gz LUVKZAFXFUWEAH-MQVJKMGUSA-N 2 1 362.478 0.574 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000287030424 489453957 /nfs/dbraw/zinc/45/39/57/489453957.db2.gz LUVKZAFXFUWEAH-MQVJKMGUSA-N 2 1 362.478 0.574 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000287150741 489465687 /nfs/dbraw/zinc/46/56/87/489465687.db2.gz YLMHPUCAYVPZQJ-ZFWWWQNUSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1C ZINC000287150741 489465688 /nfs/dbraw/zinc/46/56/88/489465688.db2.gz YLMHPUCAYVPZQJ-ZFWWWQNUSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000287150741 489465690 /nfs/dbraw/zinc/46/56/90/489465690.db2.gz YLMHPUCAYVPZQJ-ZFWWWQNUSA-N 2 1 362.478 0.045 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216260 489470370 /nfs/dbraw/zinc/47/03/70/489470370.db2.gz INXGQADERZJLOQ-PMACEKPBSA-N 2 1 372.513 0.736 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216260 489470371 /nfs/dbraw/zinc/47/03/71/489470371.db2.gz INXGQADERZJLOQ-PMACEKPBSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216260 489470374 /nfs/dbraw/zinc/47/03/74/489470374.db2.gz INXGQADERZJLOQ-PMACEKPBSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216260 489470377 /nfs/dbraw/zinc/47/03/77/489470377.db2.gz INXGQADERZJLOQ-PMACEKPBSA-N 2 1 372.513 0.736 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1CCOC ZINC000371354562 489479645 /nfs/dbraw/zinc/47/96/45/489479645.db2.gz USLWBLZCUAPUIR-SQNIBIBYSA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1CCOC ZINC000371354562 489479648 /nfs/dbraw/zinc/47/96/48/489479648.db2.gz USLWBLZCUAPUIR-SQNIBIBYSA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1CCOC ZINC000371354562 489479651 /nfs/dbraw/zinc/47/96/51/489479651.db2.gz USLWBLZCUAPUIR-SQNIBIBYSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000423157311 489497359 /nfs/dbraw/zinc/49/73/59/489497359.db2.gz MNDUVNSMGIZAOQ-UHFFFAOYSA-N 2 1 359.474 0.497 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000423153067 489497571 /nfs/dbraw/zinc/49/75/71/489497571.db2.gz FZIGEBPOJQPXSK-MRXNPFEDSA-N 2 1 361.490 0.870 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423166999 489498745 /nfs/dbraw/zinc/49/87/45/489498745.db2.gz RRZFEEKMPCYIDR-SFHVURJKSA-N 2 1 373.501 0.844 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423240643 489506414 /nfs/dbraw/zinc/50/64/14/489506414.db2.gz KUDVOCWURVOCOF-JQHSSLGASA-N 2 1 358.486 0.740 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423267569 489509040 /nfs/dbraw/zinc/50/90/40/489509040.db2.gz UABFSUDIRVRLAO-KRWDZBQOSA-N 2 1 358.486 0.917 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423267569 489509042 /nfs/dbraw/zinc/50/90/42/489509042.db2.gz UABFSUDIRVRLAO-KRWDZBQOSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000415512013 489526136 /nfs/dbraw/zinc/52/61/36/489526136.db2.gz RWAOWUOATYQLGD-RBSFLKMASA-N 2 1 362.474 0.945 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843525 489533337 /nfs/dbraw/zinc/53/33/37/489533337.db2.gz JIFUIQVVDHRCDS-CABCVRRESA-N 2 1 367.494 0.191 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425881060 489539536 /nfs/dbraw/zinc/53/95/36/489539536.db2.gz KRGBIXFIVCRHQW-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425881060 489539537 /nfs/dbraw/zinc/53/95/37/489539537.db2.gz KRGBIXFIVCRHQW-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)O1 ZINC000415756598 489550743 /nfs/dbraw/zinc/55/07/43/489550743.db2.gz DVSJZINNHUMVGJ-PDFKHUOFSA-N 2 1 372.469 0.568 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000372509964 489592024 /nfs/dbraw/zinc/59/20/24/489592024.db2.gz ZPFYSGDBWRKTNB-FXAWDEMLSA-N 2 1 356.470 0.447 20 0 FCADMP C[C@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000455663960 489597739 /nfs/dbraw/zinc/59/77/39/489597739.db2.gz YQQLCBQUVUOBLR-AWEZNQCLSA-N 2 1 352.483 0.754 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)C1 ZINC000427291647 489601559 /nfs/dbraw/zinc/60/15/59/489601559.db2.gz IIRIAIZJNCEXNH-SJLPKXTDSA-N 2 1 358.486 1.000 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000555700649 491266831 /nfs/dbraw/zinc/26/68/31/491266831.db2.gz QBOWAOGALJFOMM-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000416824547 489630441 /nfs/dbraw/zinc/63/04/41/489630441.db2.gz ZNDIWZNATNEIIF-LSDHHAIUSA-N 2 1 365.478 0.911 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428030634 489633842 /nfs/dbraw/zinc/63/38/42/489633842.db2.gz FCMPFTUYTKRWHS-SWLSCSKDSA-N 2 1 352.460 0.346 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428030634 489633843 /nfs/dbraw/zinc/63/38/43/489633843.db2.gz FCMPFTUYTKRWHS-SWLSCSKDSA-N 2 1 352.460 0.346 20 0 FCADMP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000416941411 489634787 /nfs/dbraw/zinc/63/47/87/489634787.db2.gz CBRBKPKWBTYINC-UHFFFAOYSA-N 2 1 361.494 0.382 20 0 FCADMP CO[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000416945347 489635569 /nfs/dbraw/zinc/63/55/69/489635569.db2.gz VZIGAFBOIJWXHJ-IXDOHACOSA-N 2 1 356.511 0.881 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000416963123 489636914 /nfs/dbraw/zinc/63/69/14/489636914.db2.gz BEOUDRKJFSAQTC-IYBDPMFKSA-N 2 1 364.490 0.758 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417050691 489639687 /nfs/dbraw/zinc/63/96/87/489639687.db2.gz LBNPLLXMCORVKF-GDBMZVCRSA-N 2 1 353.511 0.888 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2CCC)CC1 ZINC000417053679 489639799 /nfs/dbraw/zinc/63/97/99/489639799.db2.gz SUPNUTGODLYKGL-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)[nH+]c1 ZINC000417060257 489639923 /nfs/dbraw/zinc/63/99/23/489639923.db2.gz JFASSEBRTMDITL-INIZCTEOSA-N 2 1 372.477 1.289 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000417049935 489640057 /nfs/dbraw/zinc/64/00/57/489640057.db2.gz IEMRYKLWISEEBD-UAGQMJEPSA-N 2 1 365.522 0.746 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C(C)C ZINC000563763291 491268002 /nfs/dbraw/zinc/26/80/02/491268002.db2.gz RSDGWSVJDSLPNU-MRXNPFEDSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C(C)C ZINC000563763291 491268003 /nfs/dbraw/zinc/26/80/03/491268003.db2.gz RSDGWSVJDSLPNU-MRXNPFEDSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC000563763291 491268004 /nfs/dbraw/zinc/26/80/04/491268004.db2.gz RSDGWSVJDSLPNU-MRXNPFEDSA-N 2 1 356.511 0.450 20 0 FCADMP O=C(CNC(=O)NCCC[NH+]1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000457406421 489645922 /nfs/dbraw/zinc/64/59/22/489645922.db2.gz SQWYWWVQFMCPIB-UHFFFAOYSA-N 2 1 369.510 0.000 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000417267072 489646103 /nfs/dbraw/zinc/64/61/03/489646103.db2.gz GKQJHBDVGUQAJE-MAUKXSAKSA-N 2 1 362.474 0.776 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000417267072 489646107 /nfs/dbraw/zinc/64/61/07/489646107.db2.gz GKQJHBDVGUQAJE-MAUKXSAKSA-N 2 1 362.474 0.776 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270341 489646198 /nfs/dbraw/zinc/64/61/98/489646198.db2.gz NPVRSZBWKFOLRS-QAPCUYQASA-N 2 1 362.474 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270341 489646199 /nfs/dbraw/zinc/64/61/99/489646199.db2.gz NPVRSZBWKFOLRS-QAPCUYQASA-N 2 1 362.474 0.695 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000417267070 489646291 /nfs/dbraw/zinc/64/62/91/489646291.db2.gz GKQJHBDVGUQAJE-CRAIPNDOSA-N 2 1 362.474 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000417267070 489646292 /nfs/dbraw/zinc/64/62/92/489646292.db2.gz GKQJHBDVGUQAJE-CRAIPNDOSA-N 2 1 362.474 0.776 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000555730022 491268494 /nfs/dbraw/zinc/26/84/94/491268494.db2.gz BZWKXZUTFJEUJQ-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000457502451 489647369 /nfs/dbraw/zinc/64/73/69/489647369.db2.gz FCFLROXLBLDICY-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000457502451 489647372 /nfs/dbraw/zinc/64/73/72/489647372.db2.gz FCFLROXLBLDICY-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000555730022 491268495 /nfs/dbraw/zinc/26/84/95/491268495.db2.gz BZWKXZUTFJEUJQ-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000555730022 491268496 /nfs/dbraw/zinc/26/84/96/491268496.db2.gz BZWKXZUTFJEUJQ-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570840034 491268769 /nfs/dbraw/zinc/26/87/69/491268769.db2.gz RMPDYDXUNRSDSY-QGTPRVQTSA-N 2 1 358.486 0.998 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417360754 489649340 /nfs/dbraw/zinc/64/93/40/489649340.db2.gz BJODAFCNMFCROT-DLBZAZTESA-N 2 1 360.506 0.972 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417363217 489649362 /nfs/dbraw/zinc/64/93/62/489649362.db2.gz AQOCGIXXVXVNEG-QZTJIDSGSA-N 2 1 372.517 0.845 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417363584 489649831 /nfs/dbraw/zinc/64/98/31/489649831.db2.gz GAERHWZICGDZEE-GOSISDBHSA-N 2 1 360.506 0.987 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000555731966 491268832 /nfs/dbraw/zinc/26/88/32/491268832.db2.gz WHCOZYRXLISULJ-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000555731966 491268835 /nfs/dbraw/zinc/26/88/35/491268835.db2.gz WHCOZYRXLISULJ-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000555731966 491268838 /nfs/dbraw/zinc/26/88/38/491268838.db2.gz WHCOZYRXLISULJ-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000555731198 491268905 /nfs/dbraw/zinc/26/89/05/491268905.db2.gz PWFNHYCUNNAPRV-SJORKVTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000555731198 491268908 /nfs/dbraw/zinc/26/89/08/491268908.db2.gz PWFNHYCUNNAPRV-SJORKVTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000555731198 491268911 /nfs/dbraw/zinc/26/89/11/491268911.db2.gz PWFNHYCUNNAPRV-SJORKVTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000555731198 491268914 /nfs/dbraw/zinc/26/89/14/491268914.db2.gz PWFNHYCUNNAPRV-SJORKVTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622631 489651514 /nfs/dbraw/zinc/65/15/14/489651514.db2.gz QNRVSAYNTZHKNI-ROUUACIJSA-N 2 1 369.554 0.404 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417425998 489651553 /nfs/dbraw/zinc/65/15/53/489651553.db2.gz FNWNZTRKNSXSBO-VQHPVUNQSA-N 2 1 365.522 0.616 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417426688 489651837 /nfs/dbraw/zinc/65/18/37/489651837.db2.gz HFPHEBWTXURPLP-HZPDHXFCSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000417430840 489652602 /nfs/dbraw/zinc/65/26/02/489652602.db2.gz QDNMNCCYFPATPD-OAGGEKHMSA-N 2 1 353.511 0.698 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417429043 489652872 /nfs/dbraw/zinc/65/28/72/489652872.db2.gz MPDJOKRUNDFJAC-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000417434028 489653385 /nfs/dbraw/zinc/65/33/85/489653385.db2.gz WJUSOGDLCWSICC-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000555736174 491269425 /nfs/dbraw/zinc/26/94/25/491269425.db2.gz WWOZVZMODKCFGM-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582725 489658886 /nfs/dbraw/zinc/65/88/86/489658886.db2.gz JFDFSSLUYKBHEK-ZIAGYGMSSA-N 2 1 365.444 0.996 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H](C)C1 ZINC000417668888 489660951 /nfs/dbraw/zinc/66/09/51/489660951.db2.gz KRBLRGJLLCKAHE-IKGGRYGDSA-N 2 1 356.511 0.801 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000417669987 489661060 /nfs/dbraw/zinc/66/10/60/489661060.db2.gz AQCLASQUJZEHNT-HOTGVXAUSA-N 2 1 367.538 0.959 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000417663745 489661163 /nfs/dbraw/zinc/66/11/63/489661163.db2.gz AOQKSCCKLMQHCM-ULQDDVLXSA-N 2 1 355.527 0.326 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H](C)C[NH3+])CC2 ZINC000417674322 489661272 /nfs/dbraw/zinc/66/12/72/489661272.db2.gz YWYVWJMNXOWMKM-CYBMUJFWSA-N 2 1 350.463 0.956 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H](C)C[NH3+])CC2 ZINC000417674322 489661275 /nfs/dbraw/zinc/66/12/75/489661275.db2.gz YWYVWJMNXOWMKM-CYBMUJFWSA-N 2 1 350.463 0.956 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417674511 489661305 /nfs/dbraw/zinc/66/13/05/489661305.db2.gz ZPWCPLSFQCUAEI-DLBZAZTESA-N 2 1 355.527 0.328 20 0 FCADMP C[N@@H+](CCNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000417834833 489668031 /nfs/dbraw/zinc/66/80/31/489668031.db2.gz VPDKKYPKKIBSAJ-UHFFFAOYSA-N 2 1 351.470 0.852 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000417847211 489668630 /nfs/dbraw/zinc/66/86/30/489668630.db2.gz AGUDAUYCKRPGNN-IJEWVQPXSA-N 2 1 351.495 0.641 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867471 489669041 /nfs/dbraw/zinc/66/90/41/489669041.db2.gz DIINYSAIVAMYMD-JKSUJKDBSA-N 2 1 353.511 0.461 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867464 489669129 /nfs/dbraw/zinc/66/91/29/489669129.db2.gz DIINYSAIVAMYMD-CVEARBPZSA-N 2 1 353.511 0.461 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417896890 489670013 /nfs/dbraw/zinc/67/00/13/489670013.db2.gz WFZULCDLYAZMSJ-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000373148814 489673472 /nfs/dbraw/zinc/67/34/72/489673472.db2.gz ZVKXFAKKKUBXBK-MRXNPFEDSA-N 2 1 359.474 0.955 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418067205 489677231 /nfs/dbraw/zinc/67/72/31/489677231.db2.gz BHCTWSYUPVCHHX-SFHVURJKSA-N 2 1 364.490 0.813 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+](C2CC2)C1 ZINC000458404018 489681169 /nfs/dbraw/zinc/68/11/69/489681169.db2.gz AXTWBOFJGANIIY-HZPDHXFCSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404018 489681173 /nfs/dbraw/zinc/68/11/73/489681173.db2.gz AXTWBOFJGANIIY-HZPDHXFCSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404018 489681176 /nfs/dbraw/zinc/68/11/76/489681176.db2.gz AXTWBOFJGANIIY-HZPDHXFCSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000418172956 489682351 /nfs/dbraw/zinc/68/23/51/489682351.db2.gz BMAPYGXUVFMDFW-UCHQMPSGSA-N 2 1 365.522 0.839 20 0 FCADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418207869 489685116 /nfs/dbraw/zinc/68/51/16/489685116.db2.gz VFNZAENKZKGFAP-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418207869 489685118 /nfs/dbraw/zinc/68/51/18/489685118.db2.gz VFNZAENKZKGFAP-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429446087 489687756 /nfs/dbraw/zinc/68/77/56/489687756.db2.gz GMRVDUBFAGJAMK-HZPDHXFCSA-N 2 1 364.556 0.545 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418447865 489699111 /nfs/dbraw/zinc/69/91/11/489699111.db2.gz PXQQUFROVGNSQN-ZWKOTPCHSA-N 2 1 369.554 0.940 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000418565585 489707915 /nfs/dbraw/zinc/70/79/15/489707915.db2.gz VNTIAMPXUWEETF-JENIJYKNSA-N 2 1 362.474 0.507 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418590022 489708953 /nfs/dbraw/zinc/70/89/53/489708953.db2.gz BCZYCDYGUCEQRQ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418590022 489708956 /nfs/dbraw/zinc/70/89/56/489708956.db2.gz BCZYCDYGUCEQRQ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000458941357 489709136 /nfs/dbraw/zinc/70/91/36/489709136.db2.gz SSJHZRDSUZCOTK-HKUYNNGSSA-N 2 1 370.538 0.879 20 0 FCADMP COC[C@@]1(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CCC[NH2+]1 ZINC000418654167 489715401 /nfs/dbraw/zinc/71/54/01/489715401.db2.gz LWQGRPQYAZRWCR-PBHICJAKSA-N 2 1 356.467 0.034 20 0 FCADMP COC[C@@]1(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CCC[NH2+]1 ZINC000418654167 489715406 /nfs/dbraw/zinc/71/54/06/489715406.db2.gz LWQGRPQYAZRWCR-PBHICJAKSA-N 2 1 356.467 0.034 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000489542010 489716611 /nfs/dbraw/zinc/71/66/11/489716611.db2.gz AAOIXSUPZYBTFM-QZTJIDSGSA-N 2 1 369.554 0.549 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000375490734 489718606 /nfs/dbraw/zinc/71/86/06/489718606.db2.gz OGPIBMDHIDESEO-GJZGRUSLSA-N 2 1 364.494 1.069 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000375490734 489718609 /nfs/dbraw/zinc/71/86/09/489718609.db2.gz OGPIBMDHIDESEO-GJZGRUSLSA-N 2 1 364.494 1.069 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418768278 489724102 /nfs/dbraw/zinc/72/41/02/489724102.db2.gz RNPVRBLDLMGZGU-SFHVURJKSA-N 2 1 369.554 0.670 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418794667 489728631 /nfs/dbraw/zinc/72/86/31/489728631.db2.gz RKXUVMUFCNHHGI-IEBWSBKVSA-N 2 1 362.474 0.301 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)n2)CC1 ZINC000376045003 489729664 /nfs/dbraw/zinc/72/96/64/489729664.db2.gz MZEXYLFBFFZWAN-UHFFFAOYSA-N 2 1 364.494 1.070 20 0 FCADMP C[C@@H](CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCOCC1 ZINC000376034764 489729820 /nfs/dbraw/zinc/72/98/20/489729820.db2.gz MPAPFIUCEVAUSV-HNNXBMFYSA-N 2 1 364.494 1.240 20 0 FCADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1c(C)nn(C)c1C ZINC000459567697 489740414 /nfs/dbraw/zinc/74/04/14/489740414.db2.gz AAPYIERWNYRXGR-UHFFFAOYSA-N 2 1 351.495 0.649 20 0 FCADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1c(C)nn(C)c1C ZINC000459567697 489740416 /nfs/dbraw/zinc/74/04/16/489740416.db2.gz AAPYIERWNYRXGR-UHFFFAOYSA-N 2 1 351.495 0.649 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000418830234 489743529 /nfs/dbraw/zinc/74/35/29/489743529.db2.gz FPUICZMZZKENNN-KBMXLJTQSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562832 489746250 /nfs/dbraw/zinc/74/62/50/489746250.db2.gz GPCPEXLMBUUMLI-CVEARBPZSA-N 2 1 367.538 0.105 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562832 489746253 /nfs/dbraw/zinc/74/62/53/489746253.db2.gz GPCPEXLMBUUMLI-CVEARBPZSA-N 2 1 367.538 0.105 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430566444 489746772 /nfs/dbraw/zinc/74/67/72/489746772.db2.gz BSAOGZRIGFIXDD-UHFFFAOYSA-N 2 1 354.476 0.594 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC000459680287 489747106 /nfs/dbraw/zinc/74/71/06/489747106.db2.gz CTHBLFLEVNJNBC-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC000459680287 489747110 /nfs/dbraw/zinc/74/71/10/489747110.db2.gz CTHBLFLEVNJNBC-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC000459680287 489747115 /nfs/dbraw/zinc/74/71/15/489747115.db2.gz CTHBLFLEVNJNBC-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC000459680287 489747118 /nfs/dbraw/zinc/74/71/18/489747118.db2.gz CTHBLFLEVNJNBC-RTBURBONSA-N 2 1 361.486 0.314 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570369 489747436 /nfs/dbraw/zinc/74/74/36/489747436.db2.gz GKSXBAVEAGEVNX-CABCVRRESA-N 2 1 362.540 0.222 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570369 489747440 /nfs/dbraw/zinc/74/74/40/489747440.db2.gz GKSXBAVEAGEVNX-CABCVRRESA-N 2 1 362.540 0.222 20 0 FCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613387 489753178 /nfs/dbraw/zinc/75/31/78/489753178.db2.gz WGPHWRHEXHPBHC-BRWVUGGUSA-N 2 1 368.522 0.485 20 0 FCADMP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610563 489753613 /nfs/dbraw/zinc/75/36/13/489753613.db2.gz LAQJNMUOAXXMMR-DGCLKSJQSA-N 2 1 353.492 0.874 20 0 FCADMP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610563 489753616 /nfs/dbraw/zinc/75/36/16/489753616.db2.gz LAQJNMUOAXXMMR-DGCLKSJQSA-N 2 1 353.492 0.874 20 0 FCADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618212 489755177 /nfs/dbraw/zinc/75/51/77/489755177.db2.gz RWDRFAAHMNHXAD-RDJZCZTQSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630625 489757581 /nfs/dbraw/zinc/75/75/81/489757581.db2.gz ZCWDMJMICXXIIU-HNNXBMFYSA-N 2 1 364.515 0.817 20 0 FCADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430629547 489757606 /nfs/dbraw/zinc/75/76/06/489757606.db2.gz OOPHOKNBKQZHAE-CABCVRRESA-N 2 1 365.478 1.267 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000418853921 489758394 /nfs/dbraw/zinc/75/83/94/489758394.db2.gz SQGLZOMKWMOVPG-HJWJTTGWSA-N 2 1 374.485 0.610 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646614 489761897 /nfs/dbraw/zinc/76/18/97/489761897.db2.gz WRRVHUSWAGJSAE-JKSUJKDBSA-N 2 1 374.489 0.059 20 0 FCADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430646510 489762261 /nfs/dbraw/zinc/76/22/61/489762261.db2.gz WHXICVLVXDKXBI-KRWDZBQOSA-N 2 1 362.474 0.236 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376640133 489765925 /nfs/dbraw/zinc/76/59/25/489765925.db2.gz MQYWLVVHJMVZBZ-HOCLYGCPSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000430744423 489768670 /nfs/dbraw/zinc/76/86/70/489768670.db2.gz UQCHTTRQXIZJBW-KGLIPLIRSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1C[C@@H](C)O ZINC000430744423 489768676 /nfs/dbraw/zinc/76/86/76/489768676.db2.gz UQCHTTRQXIZJBW-KGLIPLIRSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000430744425 489769075 /nfs/dbraw/zinc/76/90/75/489769075.db2.gz UQCHTTRQXIZJBW-ZIAGYGMSSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1C[C@@H](C)O ZINC000430744425 489769080 /nfs/dbraw/zinc/76/90/80/489769080.db2.gz UQCHTTRQXIZJBW-ZIAGYGMSSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCO1 ZINC000418879704 489772655 /nfs/dbraw/zinc/77/26/55/489772655.db2.gz NXFLMHGWVBQNEG-LTIDMASMSA-N 2 1 366.506 0.189 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459894668 489783719 /nfs/dbraw/zinc/78/37/19/489783719.db2.gz IRJXHCQFHHXCQF-MOPGFXCFSA-N 2 1 372.513 0.987 20 0 FCADMP O=C(COC1C[NH2+]C1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000431044878 489786598 /nfs/dbraw/zinc/78/65/98/489786598.db2.gz LHFRXKWVXSKTEX-UHFFFAOYSA-N 2 1 358.442 0.900 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000418912546 489787400 /nfs/dbraw/zinc/78/74/00/489787400.db2.gz DGWQNBSXLKPRPU-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCN1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)C[C@H]1c1ncc[nH]1 ZINC000459915472 489791233 /nfs/dbraw/zinc/79/12/33/489791233.db2.gz BLDQGJPRGRDIJF-HNNXBMFYSA-N 2 1 362.478 0.169 20 0 FCADMP CCN1CCN(C(=O)C(=O)N2CCCN(CC)CC2)C[C@H]1c1ncc[nH]1 ZINC000459915472 489791235 /nfs/dbraw/zinc/79/12/35/489791235.db2.gz BLDQGJPRGRDIJF-HNNXBMFYSA-N 2 1 362.478 0.169 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000418929726 489794230 /nfs/dbraw/zinc/79/42/30/489794230.db2.gz WYMKGCCBZTUIBC-MRXNPFEDSA-N 2 1 366.506 0.062 20 0 FCADMP [NH3+]CC1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCOCC1 ZINC000491075943 489794362 /nfs/dbraw/zinc/79/43/62/489794362.db2.gz NFPUKUBFEGHIFG-UHFFFAOYSA-N 2 1 367.412 0.855 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000431280878 489798725 /nfs/dbraw/zinc/79/87/25/489798725.db2.gz CQMGUTGRJTYOIE-CVEARBPZSA-N 2 1 365.522 0.903 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431340676 489802881 /nfs/dbraw/zinc/80/28/81/489802881.db2.gz FGVVKEFRXDXOGG-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418952941 489802874 /nfs/dbraw/zinc/80/28/74/489802874.db2.gz ZBWUFHBULBTOEV-BZSNNMDCSA-N 2 1 358.486 0.820 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431340676 489802883 /nfs/dbraw/zinc/80/28/83/489802883.db2.gz FGVVKEFRXDXOGG-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000418955610 489803197 /nfs/dbraw/zinc/80/31/97/489803197.db2.gz XZJMDZNRMSLZHW-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459995163 489811863 /nfs/dbraw/zinc/81/18/63/489811863.db2.gz XJTYZEUGYWUOKG-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459995163 489811865 /nfs/dbraw/zinc/81/18/65/489811865.db2.gz XJTYZEUGYWUOKG-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000459995386 489811990 /nfs/dbraw/zinc/81/19/90/489811990.db2.gz NRIHQXNKPOHKKL-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000459995386 489811993 /nfs/dbraw/zinc/81/19/93/489811993.db2.gz NRIHQXNKPOHKKL-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995386 489811998 /nfs/dbraw/zinc/81/19/98/489811998.db2.gz NRIHQXNKPOHKKL-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995386 489812001 /nfs/dbraw/zinc/81/20/01/489812001.db2.gz NRIHQXNKPOHKKL-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000459995464 489812902 /nfs/dbraw/zinc/81/29/02/489812902.db2.gz OIEMYZBUDFXGDC-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000459995464 489812905 /nfs/dbraw/zinc/81/29/05/489812905.db2.gz OIEMYZBUDFXGDC-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000459995464 489812910 /nfs/dbraw/zinc/81/29/10/489812910.db2.gz OIEMYZBUDFXGDC-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000459997769 489812993 /nfs/dbraw/zinc/81/29/93/489812993.db2.gz UDZYACVWAPLRAF-ROUUACIJSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459997769 489812997 /nfs/dbraw/zinc/81/29/97/489812997.db2.gz UDZYACVWAPLRAF-ROUUACIJSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997769 489813000 /nfs/dbraw/zinc/81/30/00/489813000.db2.gz UDZYACVWAPLRAF-ROUUACIJSA-N 2 1 364.534 0.977 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000459997715 489813509 /nfs/dbraw/zinc/81/35/09/489813509.db2.gz TVBZINPWLXZGHE-QGZVFWFLSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000459997715 489813512 /nfs/dbraw/zinc/81/35/12/489813512.db2.gz TVBZINPWLXZGHE-QGZVFWFLSA-N 2 1 373.501 0.839 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419027234 489823859 /nfs/dbraw/zinc/82/38/59/489823859.db2.gz ODJVJCQPXSAXPK-XHSDSOJGSA-N 2 1 368.522 0.354 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419030254 489825414 /nfs/dbraw/zinc/82/54/14/489825414.db2.gz SVVMWUAXXBMADF-BPKGMFCQSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419031990 489826405 /nfs/dbraw/zinc/82/64/05/489826405.db2.gz VXBHULWHPPHBRB-OLMMMNRUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419034026 489827512 /nfs/dbraw/zinc/82/75/12/489827512.db2.gz YYIVQSXTFXNRSP-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000419040138 489829986 /nfs/dbraw/zinc/82/99/86/489829986.db2.gz MDHSTXUGNMSKEK-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000460047342 489831705 /nfs/dbraw/zinc/83/17/05/489831705.db2.gz ZUEUOSPCHUBZTN-KRWDZBQOSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419043389 489832272 /nfs/dbraw/zinc/83/22/72/489832272.db2.gz JLRCPGKIZMVJDR-NRSFXHEJSA-N 2 1 356.470 0.616 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419043470 489832330 /nfs/dbraw/zinc/83/23/30/489832330.db2.gz REDDMEOMNCSGNW-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419048162 489834378 /nfs/dbraw/zinc/83/43/78/489834378.db2.gz UTRJNKGHZAZSOE-PVAVHDDUSA-N 2 1 360.458 0.124 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419057958 489838299 /nfs/dbraw/zinc/83/82/99/489838299.db2.gz AZJDNLRFPPEPMJ-APIJFGDWSA-N 2 1 354.495 0.234 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419061096 489839198 /nfs/dbraw/zinc/83/91/98/489839198.db2.gz FTPNXBPUDNGJHW-LXTVHRRPSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419061096 489839202 /nfs/dbraw/zinc/83/92/02/489839202.db2.gz FTPNXBPUDNGJHW-LXTVHRRPSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419061090 489839518 /nfs/dbraw/zinc/83/95/18/489839518.db2.gz FTPNXBPUDNGJHW-APIJFGDWSA-N 2 1 354.495 0.377 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432533023 489846559 /nfs/dbraw/zinc/84/65/59/489846559.db2.gz XVZZVSBFUUMKAF-GOEBONIOSA-N 2 1 366.893 0.691 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419079963 489848692 /nfs/dbraw/zinc/84/86/92/489848692.db2.gz NYGBTTPTALMKHL-VVLHAWIVSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419083471 489850498 /nfs/dbraw/zinc/85/04/98/489850498.db2.gz KDWJXIUZNYTDGT-JONQDZQNSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419083471 489850500 /nfs/dbraw/zinc/85/05/00/489850500.db2.gz KDWJXIUZNYTDGT-JONQDZQNSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000419086660 489851818 /nfs/dbraw/zinc/85/18/18/489851818.db2.gz OIVBVBIDJZKUHF-HUUCEWRRSA-N 2 1 368.522 0.768 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000419090642 489852637 /nfs/dbraw/zinc/85/26/37/489852637.db2.gz VDHMYORGMJUWQM-KHYOSLBOSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000419090642 489852643 /nfs/dbraw/zinc/85/26/43/489852643.db2.gz VDHMYORGMJUWQM-KHYOSLBOSA-N 2 1 368.522 0.496 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)[nH+]c1 ZINC000419098353 489855184 /nfs/dbraw/zinc/85/51/84/489855184.db2.gz NXRBOHGTOFHOFF-MRXNPFEDSA-N 2 1 361.490 1.332 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000460233985 489855819 /nfs/dbraw/zinc/85/58/19/489855819.db2.gz DVCVTJHLIIJUJZ-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000460244419 489856715 /nfs/dbraw/zinc/85/67/15/489856715.db2.gz RZGDFIFNSSMAIM-MAUKXSAKSA-N 2 1 350.463 0.664 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000460244419 489856719 /nfs/dbraw/zinc/85/67/19/489856719.db2.gz RZGDFIFNSSMAIM-MAUKXSAKSA-N 2 1 350.463 0.664 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000555923140 491283608 /nfs/dbraw/zinc/28/36/08/491283608.db2.gz ZCEOUNZTUXEFHJ-IRXDYDNUSA-N 2 1 369.554 0.221 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419113447 489860644 /nfs/dbraw/zinc/86/06/44/489860644.db2.gz GWKXOJUYTPBISK-CVEARBPZSA-N 2 1 354.495 0.093 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119844 489864216 /nfs/dbraw/zinc/86/42/16/489864216.db2.gz PLEDHHODYVVYKY-RDJZCZTQSA-N 2 1 368.522 0.355 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420013516 489880396 /nfs/dbraw/zinc/88/03/96/489880396.db2.gz JDYZSFHEGOIDTD-HOTGVXAUSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020274 489883215 /nfs/dbraw/zinc/88/32/15/489883215.db2.gz FBRGOAMOFKOWJA-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420039855 489889938 /nfs/dbraw/zinc/88/99/38/489889938.db2.gz OGZFDBIHTZOHAD-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420042800 489890625 /nfs/dbraw/zinc/89/06/25/489890625.db2.gz QZQFSAPUMSFPAT-KRWDZBQOSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420042800 489890631 /nfs/dbraw/zinc/89/06/31/489890631.db2.gz QZQFSAPUMSFPAT-KRWDZBQOSA-N 2 1 358.486 0.963 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420050589 489894049 /nfs/dbraw/zinc/89/40/49/489894049.db2.gz ZEJJDIAAOQADSN-SOUVJXGZSA-N 2 1 354.495 0.406 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433925899 489904727 /nfs/dbraw/zinc/90/47/27/489904727.db2.gz XCHOGXDGURPJEP-HOTGVXAUSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433925899 489904731 /nfs/dbraw/zinc/90/47/31/489904731.db2.gz XCHOGXDGURPJEP-HOTGVXAUSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433925899 489904734 /nfs/dbraw/zinc/90/47/34/489904734.db2.gz XCHOGXDGURPJEP-HOTGVXAUSA-N 2 1 351.495 0.642 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000420079272 489904770 /nfs/dbraw/zinc/90/47/70/489904770.db2.gz HFSCBRMTVFQOPG-HRCADAONSA-N 2 1 368.522 0.720 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000420087380 489907359 /nfs/dbraw/zinc/90/73/59/489907359.db2.gz FRCFPYLABJCILC-ZNMIVQPWSA-N 2 1 352.479 0.084 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000420087380 489907363 /nfs/dbraw/zinc/90/73/63/489907363.db2.gz FRCFPYLABJCILC-ZNMIVQPWSA-N 2 1 352.479 0.084 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126510 489921708 /nfs/dbraw/zinc/92/17/08/489921708.db2.gz OHCLEFQVLDRHKO-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000420131257 489923563 /nfs/dbraw/zinc/92/35/63/489923563.db2.gz WZTOZSWQCWMKSR-GJZGRUSLSA-N 2 1 354.495 0.332 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420131889 489923651 /nfs/dbraw/zinc/92/36/51/489923651.db2.gz XSMQZDONFDZKKX-OAHLLOKOSA-N 2 1 356.511 0.437 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[N@@H+]1CCOC ZINC000420133974 489924776 /nfs/dbraw/zinc/92/47/76/489924776.db2.gz UCCZYDDNBGRXJV-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[N@H+]1CCOC ZINC000420133974 489924779 /nfs/dbraw/zinc/92/47/79/489924779.db2.gz UCCZYDDNBGRXJV-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)CC1 ZINC000434433095 489927385 /nfs/dbraw/zinc/92/73/85/489927385.db2.gz OLOXHBAFSNUQDH-SFHVURJKSA-N 2 1 365.566 0.639 20 0 FCADMP CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420146820 489930048 /nfs/dbraw/zinc/93/00/48/489930048.db2.gz BIORULHMSZDNPQ-HNNXBMFYSA-N 2 1 368.428 0.820 20 0 FCADMP CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420146820 489930049 /nfs/dbraw/zinc/93/00/49/489930049.db2.gz BIORULHMSZDNPQ-HNNXBMFYSA-N 2 1 368.428 0.820 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C[C@H](C)O ZINC000420155046 489934172 /nfs/dbraw/zinc/93/41/72/489934172.db2.gz CYMKECDVEBDXFV-ARFHVFGLSA-N 2 1 368.522 0.184 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1C[C@H](C)O ZINC000420155046 489934176 /nfs/dbraw/zinc/93/41/76/489934176.db2.gz CYMKECDVEBDXFV-ARFHVFGLSA-N 2 1 368.522 0.184 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000477055140 489935952 /nfs/dbraw/zinc/93/59/52/489935952.db2.gz HMZTVABVAOFRIS-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477081557 489940047 /nfs/dbraw/zinc/94/00/47/489940047.db2.gz LZFKVAQKKCEDNZ-OAGGEKHMSA-N 2 1 356.511 0.448 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477263249 489954472 /nfs/dbraw/zinc/95/44/72/489954472.db2.gz JMGQKTKYOBOVRP-QAPCUYQASA-N 2 1 356.511 0.308 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000377772733 489956546 /nfs/dbraw/zinc/95/65/46/489956546.db2.gz QFSJJKKLBBDTPP-GOSISDBHSA-N 2 1 368.522 0.851 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000571185265 491291074 /nfs/dbraw/zinc/29/10/74/491291074.db2.gz PWTNBAZDRSOVSS-UHFFFAOYSA-N 2 1 373.501 0.763 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324985 489963700 /nfs/dbraw/zinc/96/37/00/489963700.db2.gz HTJRGYGJPSGYBR-JENIJYKNSA-N 2 1 358.486 0.911 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH2+][C@H](C)C1 ZINC000420336631 489964290 /nfs/dbraw/zinc/96/42/90/489964290.db2.gz MMLXQPOGFCFHSY-SJORKVTESA-N 2 1 360.502 0.817 20 0 FCADMP O=C(C[C@H]1CSCC[NH2+]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000434880569 489964773 /nfs/dbraw/zinc/96/47/73/489964773.db2.gz PEAITPKWFSRUGY-INIZCTEOSA-N 2 1 363.531 0.805 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000420346876 489965235 /nfs/dbraw/zinc/96/52/35/489965235.db2.gz DXEMDIZDXGJVSO-CQSZACIVSA-N 2 1 352.429 0.603 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000420346876 489965238 /nfs/dbraw/zinc/96/52/38/489965238.db2.gz DXEMDIZDXGJVSO-CQSZACIVSA-N 2 1 352.429 0.603 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCCOc1ccccc1F ZINC000420348459 489965858 /nfs/dbraw/zinc/96/58/58/489965858.db2.gz LWFSKQWJRGRXKK-MRXNPFEDSA-N 2 1 364.465 0.690 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCCOc1ccccc1F ZINC000420348459 489965861 /nfs/dbraw/zinc/96/58/61/489965861.db2.gz LWFSKQWJRGRXKK-MRXNPFEDSA-N 2 1 364.465 0.690 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373806 489968621 /nfs/dbraw/zinc/96/86/21/489968621.db2.gz NGWMVYBKGMRXKS-IEBWSBKVSA-N 2 1 352.523 0.535 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C(=O)OC ZINC000420377498 489969809 /nfs/dbraw/zinc/96/98/09/489969809.db2.gz LDBMMGNXUVUIBH-UNQWWWNPSA-N 2 1 369.506 0.909 20 0 FCADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396800 489971302 /nfs/dbraw/zinc/97/13/02/489971302.db2.gz DTFBBKWZIQQOMQ-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420396800 489971305 /nfs/dbraw/zinc/97/13/05/489971305.db2.gz DTFBBKWZIQQOMQ-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000420408999 489972375 /nfs/dbraw/zinc/97/23/75/489972375.db2.gz VCPULKJJDTXMCB-MSOLQXFVSA-N 2 1 360.502 0.849 20 0 FCADMP [NH3+]CC1(O)CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000420406880 489972425 /nfs/dbraw/zinc/97/24/25/489972425.db2.gz SODOHOHTTWTKMF-UHFFFAOYSA-N 2 1 364.490 0.567 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000377931439 489981749 /nfs/dbraw/zinc/98/17/49/489981749.db2.gz JGKBXAFQVZFIFM-KSZLIROESA-N 2 1 368.522 0.992 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477683516 489984087 /nfs/dbraw/zinc/98/40/87/489984087.db2.gz OQPWHOGVVPOIOO-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000477705240 489986307 /nfs/dbraw/zinc/98/63/07/489986307.db2.gz URJQLJGYICVBBO-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)n(C)c1C ZINC000462793179 489992495 /nfs/dbraw/zinc/99/24/95/489992495.db2.gz YXCGXCIDDCKITB-AWEZNQCLSA-N 2 1 350.463 0.797 20 0 FCADMP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)n(C)c1C ZINC000462793179 489992498 /nfs/dbraw/zinc/99/24/98/489992498.db2.gz YXCGXCIDDCKITB-AWEZNQCLSA-N 2 1 350.463 0.797 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000477968632 489998487 /nfs/dbraw/zinc/99/84/87/489998487.db2.gz VMALJDWHCYCTHK-TXPKVOOTSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000564208005 491294177 /nfs/dbraw/zinc/29/41/77/491294177.db2.gz LLXSBQCJRGNTDO-TZMCWYRMSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000564208005 491294179 /nfs/dbraw/zinc/29/41/79/491294179.db2.gz LLXSBQCJRGNTDO-TZMCWYRMSA-N 2 1 350.488 0.479 20 0 FCADMP [NH3+]Cc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000463493832 490020566 /nfs/dbraw/zinc/02/05/66/490020566.db2.gz ZIUMDIGAXNJFEC-UHFFFAOYSA-N 2 1 355.446 0.272 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)onc1N ZINC000439164514 490039095 /nfs/dbraw/zinc/03/90/95/490039095.db2.gz BXNWKMNGZGBQSE-CYBMUJFWSA-N 2 1 359.496 0.602 20 0 FCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378303093 490044034 /nfs/dbraw/zinc/04/40/34/490044034.db2.gz BTJDSPAJYWHLLA-HXUWFJFHSA-N 2 1 371.529 0.310 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000378323681 490050222 /nfs/dbraw/zinc/05/02/22/490050222.db2.gz NDUHOMNVTMLOQD-HNNXBMFYSA-N 2 1 353.511 0.711 20 0 FCADMP CC(C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798062 490068101 /nfs/dbraw/zinc/06/81/01/490068101.db2.gz ZVFDRMMWUIKRNT-PMACEKPBSA-N 2 1 362.518 0.827 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000519810182 490086825 /nfs/dbraw/zinc/08/68/25/490086825.db2.gz LWUGMVOSNMMEDD-OAHLLOKOSA-N 2 1 353.511 0.618 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000520216894 490117275 /nfs/dbraw/zinc/11/72/75/490117275.db2.gz TULHLNIUYZLRTA-ZWKOTPCHSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000520216894 490117280 /nfs/dbraw/zinc/11/72/80/490117280.db2.gz TULHLNIUYZLRTA-ZWKOTPCHSA-N 2 1 358.486 0.569 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000496595675 490123401 /nfs/dbraw/zinc/12/34/01/490123401.db2.gz WOMPHGZYDNUZEJ-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000496595675 490123406 /nfs/dbraw/zinc/12/34/06/490123406.db2.gz WOMPHGZYDNUZEJ-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000479829411 490126553 /nfs/dbraw/zinc/12/65/53/490126553.db2.gz OTBDOKQWJDAGQE-SYMSYNOKSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479829411 490126558 /nfs/dbraw/zinc/12/65/58/490126558.db2.gz OTBDOKQWJDAGQE-SYMSYNOKSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000479829411 490126567 /nfs/dbraw/zinc/12/65/67/490126567.db2.gz OTBDOKQWJDAGQE-SYMSYNOKSA-N 2 1 362.518 0.964 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000382757728 490128481 /nfs/dbraw/zinc/12/84/81/490128481.db2.gz RIIHQALKVLEHSB-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+](C)C(C)(C)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520334392 490133916 /nfs/dbraw/zinc/13/39/16/490133916.db2.gz FIXNFPIRWGEGLN-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000465881349 490148446 /nfs/dbraw/zinc/14/84/46/490148446.db2.gz UNCBVLQTEYWEJK-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556206799 491303080 /nfs/dbraw/zinc/30/30/80/491303080.db2.gz NXILGLPPOASTRR-MAUKXSAKSA-N 2 1 370.563 0.634 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272731 490156113 /nfs/dbraw/zinc/15/61/13/490156113.db2.gz UKNIZEZYJWMKSY-ZTENYAIWSA-N 2 1 366.506 0.223 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000506937885 490156780 /nfs/dbraw/zinc/15/67/80/490156780.db2.gz BBKSFZPTUFKHLU-INIZCTEOSA-N 2 1 356.511 0.753 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465964756 490158181 /nfs/dbraw/zinc/15/81/81/490158181.db2.gz ZTUURYFJOIAMDU-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465960091 490158972 /nfs/dbraw/zinc/15/89/72/490158972.db2.gz SMLHFBSJVZNHJJ-MRXNPFEDSA-N 2 1 355.527 0.803 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548747 490160223 /nfs/dbraw/zinc/16/02/23/490160223.db2.gz OQBMPWGFOFTFRY-CHWSQXEVSA-N 2 1 351.417 0.558 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548750 490160295 /nfs/dbraw/zinc/16/02/95/490160295.db2.gz OQBMPWGFOFTFRY-STQMWFEESA-N 2 1 351.417 0.558 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000545885427 490162993 /nfs/dbraw/zinc/16/29/93/490162993.db2.gz ZQLUGRUHKQMGRE-IBGZPJMESA-N 2 1 368.522 0.635 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000422115017 490167440 /nfs/dbraw/zinc/16/74/40/490167440.db2.gz MGOZPKOSFBBJGT-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401120 491305054 /nfs/dbraw/zinc/30/50/54/491305054.db2.gz PYNVTMUBRWYQIF-FUHWJXTLSA-N 2 1 362.522 0.811 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000422131654 490179947 /nfs/dbraw/zinc/17/99/47/490179947.db2.gz HHQLKNQJAOXJCH-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000422131653 490181287 /nfs/dbraw/zinc/18/12/87/490181287.db2.gz HHQLKNQJAOXJCH-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000422131651 490181487 /nfs/dbraw/zinc/18/14/87/490181487.db2.gz HHQLKNQJAOXJCH-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000466502801 490191729 /nfs/dbraw/zinc/19/17/29/490191729.db2.gz ITYJZFQYAVVRTE-IJEWVQPXSA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502801 490191736 /nfs/dbraw/zinc/19/17/36/490191736.db2.gz ITYJZFQYAVVRTE-IJEWVQPXSA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502801 490191739 /nfs/dbraw/zinc/19/17/39/490191739.db2.gz ITYJZFQYAVVRTE-IJEWVQPXSA-N 2 1 351.495 0.356 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000520834442 490196520 /nfs/dbraw/zinc/19/65/20/490196520.db2.gz BYZAKVCIKJWBOE-UHFFFAOYSA-N 2 1 362.522 0.733 20 0 FCADMP C[NH+](C)CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000466591124 490198454 /nfs/dbraw/zinc/19/84/54/490198454.db2.gz YLCAIRDEKGUBCU-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000571430062 491307659 /nfs/dbraw/zinc/30/76/59/491307659.db2.gz ZJNCXSOQXDORNO-IYBDPMFKSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000571430062 491307661 /nfs/dbraw/zinc/30/76/61/491307661.db2.gz ZJNCXSOQXDORNO-IYBDPMFKSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000571430062 491307663 /nfs/dbraw/zinc/30/76/63/491307663.db2.gz ZJNCXSOQXDORNO-IYBDPMFKSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794647 490212709 /nfs/dbraw/zinc/21/27/09/490212709.db2.gz XIHQXZTWXMUNIN-CPUCHLNUSA-N 2 1 363.506 0.463 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000571446387 491308733 /nfs/dbraw/zinc/30/87/33/491308733.db2.gz SZDZNLKZZKLTCE-RCBQFDQVSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000571446387 491308735 /nfs/dbraw/zinc/30/87/35/491308735.db2.gz SZDZNLKZZKLTCE-RCBQFDQVSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000571446388 491308774 /nfs/dbraw/zinc/30/87/74/491308774.db2.gz SZDZNLKZZKLTCE-VBNZEHGJSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000571446388 491308776 /nfs/dbraw/zinc/30/87/76/491308776.db2.gz SZDZNLKZZKLTCE-VBNZEHGJSA-N 2 1 363.458 0.998 20 0 FCADMP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466931427 490227560 /nfs/dbraw/zinc/22/75/60/490227560.db2.gz VATQQCNNTFPYNP-OAHLLOKOSA-N 2 1 370.494 0.424 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422295742 490239577 /nfs/dbraw/zinc/23/95/77/490239577.db2.gz FWUYYNQVQLUGLX-OAHLLOKOSA-N 2 1 368.522 0.545 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000571483670 491311094 /nfs/dbraw/zinc/31/10/94/491311094.db2.gz JIMDIZMCDDTIOG-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521370748 490253258 /nfs/dbraw/zinc/25/32/58/490253258.db2.gz IFJPMTCZLPGZRI-DOTOQJQBSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000521370748 490253265 /nfs/dbraw/zinc/25/32/65/490253265.db2.gz IFJPMTCZLPGZRI-DOTOQJQBSA-N 2 1 364.490 0.053 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000564543743 491313082 /nfs/dbraw/zinc/31/30/82/491313082.db2.gz LEPOINVOWPDIHP-MSOLQXFVSA-N 2 1 358.486 0.788 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000521648661 490285923 /nfs/dbraw/zinc/28/59/23/490285923.db2.gz KEYYTPUQCSCXIJ-MRXNPFEDSA-N 2 1 373.501 0.715 20 0 FCADMP CCOCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000507999854 490286011 /nfs/dbraw/zinc/28/60/11/490286011.db2.gz LVPJOMURZKKILI-UHFFFAOYSA-N 2 1 356.492 0.550 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000571550669 491315214 /nfs/dbraw/zinc/31/52/14/491315214.db2.gz NDWQJUKNRCFZHA-FUHWJXTLSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000571550671 491315316 /nfs/dbraw/zinc/31/53/16/491315316.db2.gz NDWQJUKNRCFZHA-WMZOPIPTSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483326993 490308011 /nfs/dbraw/zinc/30/80/11/490308011.db2.gz RLHNOGVMVATSDK-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483326993 490308017 /nfs/dbraw/zinc/30/80/17/490308017.db2.gz RLHNOGVMVATSDK-BZUAXINKSA-N 2 1 368.522 0.279 20 0 FCADMP COC1(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000571566318 491316697 /nfs/dbraw/zinc/31/66/97/491316697.db2.gz QMVLOOIXJWNRNL-OAHLLOKOSA-N 2 1 366.531 0.921 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498619652 490318661 /nfs/dbraw/zinc/31/86/61/490318661.db2.gz URAGNQIEAUUVKS-DLBZAZTESA-N 2 1 370.538 0.972 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000483483601 490321096 /nfs/dbraw/zinc/32/10/96/490321096.db2.gz GZCDHYGMZXJGKE-UHFFFAOYSA-N 2 1 356.511 0.851 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000467636813 490323646 /nfs/dbraw/zinc/32/36/46/490323646.db2.gz MSFBSPBQPCFDJC-MRXNPFEDSA-N 2 1 359.536 0.684 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CC1 ZINC000422456938 490331175 /nfs/dbraw/zinc/33/11/75/490331175.db2.gz RVVOGWBEKXXMEE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C1CC1 ZINC000422456938 490331180 /nfs/dbraw/zinc/33/11/80/490331180.db2.gz RVVOGWBEKXXMEE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C1CC1 ZINC000422456938 490331185 /nfs/dbraw/zinc/33/11/85/490331185.db2.gz RVVOGWBEKXXMEE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456081 490331237 /nfs/dbraw/zinc/33/12/37/490331237.db2.gz PWYKCDNQNYRKIL-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000422456081 490331240 /nfs/dbraw/zinc/33/12/40/490331240.db2.gz PWYKCDNQNYRKIL-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000422456081 490331245 /nfs/dbraw/zinc/33/12/45/490331245.db2.gz PWYKCDNQNYRKIL-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000467704135 490332426 /nfs/dbraw/zinc/33/24/26/490332426.db2.gz HKWSVQNKJOZGHK-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000498857593 490354597 /nfs/dbraw/zinc/35/45/97/490354597.db2.gz RFGSGMUVEFBLRB-GOSISDBHSA-N 2 1 362.518 0.945 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCCC[C@@H]1C ZINC000448488090 490356630 /nfs/dbraw/zinc/35/66/30/490356630.db2.gz OTQKWBWVVRCSKX-GJZGRUSLSA-N 2 1 364.494 0.762 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000522258393 490359737 /nfs/dbraw/zinc/35/97/37/490359737.db2.gz QVUWKBNQXDYEQZ-JTDSTZFVSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522258393 490359744 /nfs/dbraw/zinc/35/97/44/490359744.db2.gz QVUWKBNQXDYEQZ-JTDSTZFVSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@@H]1CC[NH+](C)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522258393 490359752 /nfs/dbraw/zinc/35/97/52/490359752.db2.gz QVUWKBNQXDYEQZ-JTDSTZFVSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)cnn1C ZINC000508777487 490359870 /nfs/dbraw/zinc/35/98/70/490359870.db2.gz FKDLZZYGZYZYBL-HNNXBMFYSA-N 2 1 357.524 0.765 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422496347 490361306 /nfs/dbraw/zinc/36/13/06/490361306.db2.gz TZKWQCPQNHYVQW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422496347 490361315 /nfs/dbraw/zinc/36/13/15/490361315.db2.gz TZKWQCPQNHYVQW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422496347 490361318 /nfs/dbraw/zinc/36/13/18/490361318.db2.gz TZKWQCPQNHYVQW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000522267922 490364391 /nfs/dbraw/zinc/36/43/91/490364391.db2.gz YCAMANUAMNZPHW-SFHVURJKSA-N 2 1 369.554 0.406 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000522267922 490364395 /nfs/dbraw/zinc/36/43/95/490364395.db2.gz YCAMANUAMNZPHW-SFHVURJKSA-N 2 1 369.554 0.406 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000522267922 490364401 /nfs/dbraw/zinc/36/44/01/490364401.db2.gz YCAMANUAMNZPHW-SFHVURJKSA-N 2 1 369.554 0.406 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000522308428 490368267 /nfs/dbraw/zinc/36/82/67/490368267.db2.gz MZCLMULFYPTLQC-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000498966765 490374225 /nfs/dbraw/zinc/37/42/25/490374225.db2.gz FKOMTHUODDTRIO-ROUUACIJSA-N 2 1 369.554 0.501 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000484161858 490390621 /nfs/dbraw/zinc/39/06/21/490390621.db2.gz MWEILJZGJMMXMV-RDJZCZTQSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000449120694 490402451 /nfs/dbraw/zinc/40/24/51/490402451.db2.gz DSWVFHBARALEAK-ADKAHSJRSA-N 2 1 352.523 0.901 20 0 FCADMP CC1[C@@H](C(=O)N2CC[NH+](C)CC[C@@H]2C)[C@@H]1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000449856340 490431765 /nfs/dbraw/zinc/43/17/65/490431765.db2.gz MWYKHQLWGGBHBY-CWLKWCNXSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422637386 490438302 /nfs/dbraw/zinc/43/83/02/490438302.db2.gz ONTRATHHMMYVIW-RYTJFDOTSA-N 2 1 368.522 0.591 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000556666978 491326317 /nfs/dbraw/zinc/32/63/17/491326317.db2.gz YDDPRFRXNYWOBS-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210430 490448952 /nfs/dbraw/zinc/44/89/52/490448952.db2.gz ZEQABIPVQIVJFW-IRXDYDNUSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210430 490448959 /nfs/dbraw/zinc/44/89/59/490448959.db2.gz ZEQABIPVQIVJFW-IRXDYDNUSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210430 490448967 /nfs/dbraw/zinc/44/89/67/490448967.db2.gz ZEQABIPVQIVJFW-IRXDYDNUSA-N 2 1 367.538 0.959 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+](C)CCCOC ZINC000509712783 490454411 /nfs/dbraw/zinc/45/44/11/490454411.db2.gz ISRWGOQGQYQAMQ-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000509712783 490454417 /nfs/dbraw/zinc/45/44/17/490454417.db2.gz ISRWGOQGQYQAMQ-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+](C)CCCOC ZINC000509712783 490454422 /nfs/dbraw/zinc/45/44/22/490454422.db2.gz ISRWGOQGQYQAMQ-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535097782 490456304 /nfs/dbraw/zinc/45/63/04/490456304.db2.gz YFNBQJMJSNAZIP-HOTGVXAUSA-N 2 1 359.536 0.827 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000557382225 491371790 /nfs/dbraw/zinc/37/17/90/491371790.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 2 1 369.554 0.317 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000509811096 490467442 /nfs/dbraw/zinc/46/74/42/490467442.db2.gz JDQDTQALNNPHAC-INMHGKMJSA-N 2 1 356.511 0.339 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000468950119 490467784 /nfs/dbraw/zinc/46/77/84/490467784.db2.gz IVWJYCAODQUDGG-MRXNPFEDSA-N 2 1 366.506 0.478 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000422762822 490473424 /nfs/dbraw/zinc/47/34/24/490473424.db2.gz OLLNSPVVEPHAKY-UHFFFAOYSA-N 2 1 363.443 0.637 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939631 490480561 /nfs/dbraw/zinc/48/05/61/490480561.db2.gz STRLCSCXKBYDMD-KBPBESRZSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939631 490480568 /nfs/dbraw/zinc/48/05/68/490480568.db2.gz STRLCSCXKBYDMD-KBPBESRZSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939632 490480883 /nfs/dbraw/zinc/48/08/83/490480883.db2.gz STRLCSCXKBYDMD-KGLIPLIRSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939632 490480888 /nfs/dbraw/zinc/48/08/88/490480888.db2.gz STRLCSCXKBYDMD-KGLIPLIRSA-N 2 1 350.488 0.702 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)N2CCN(CC)CC2)CC[NH2+]CC1 ZINC000422857116 490486565 /nfs/dbraw/zinc/48/65/65/490486565.db2.gz GYALCSLUASNJKM-IAGOWNOFSA-N 2 1 354.539 0.923 20 0 FCADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422866836 490488573 /nfs/dbraw/zinc/48/85/73/490488573.db2.gz RAKNAPCYQHNSFA-DLBZAZTESA-N 2 1 353.488 0.818 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422905214 490494112 /nfs/dbraw/zinc/49/41/12/490494112.db2.gz RQUSMHBBXAXVNH-HOTGVXAUSA-N 2 1 354.495 0.333 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCC1 ZINC000571824266 491331226 /nfs/dbraw/zinc/33/12/26/491331226.db2.gz RKSWMWDSMYJYDW-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000413578311 490504831 /nfs/dbraw/zinc/50/48/31/490504831.db2.gz YOXUEHSLTVSTGG-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676474 490511508 /nfs/dbraw/zinc/51/15/08/490511508.db2.gz NYNCIMUIRRZYRZ-OAHLLOKOSA-N 2 1 360.462 0.923 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473654 490520351 /nfs/dbraw/zinc/52/03/51/490520351.db2.gz RCQYMZXRMWIKFL-HKUYNNGSSA-N 2 1 352.523 0.772 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H](C[NH+](C)C)C1)C2 ZINC000510478384 490521510 /nfs/dbraw/zinc/52/15/10/490521510.db2.gz ZRULVHLSINTGFK-XYTVBORESA-N 2 1 365.522 0.663 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423037945 490527641 /nfs/dbraw/zinc/52/76/41/490527641.db2.gz NSVGKJWXVXHIET-GOSISDBHSA-N 2 1 358.486 0.441 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391185 490528238 /nfs/dbraw/zinc/52/82/38/490528238.db2.gz PSUCPKJRTFSKRT-CVEARBPZSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391185 490528241 /nfs/dbraw/zinc/52/82/41/490528241.db2.gz PSUCPKJRTFSKRT-CVEARBPZSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000485391185 490528246 /nfs/dbraw/zinc/52/82/46/490528246.db2.gz PSUCPKJRTFSKRT-CVEARBPZSA-N 2 1 353.511 0.557 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423041462 490528360 /nfs/dbraw/zinc/52/83/60/490528360.db2.gz XIEOWBBMVRPXFQ-LJQANCHMSA-N 2 1 372.513 0.831 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000423057190 490531341 /nfs/dbraw/zinc/53/13/41/490531341.db2.gz ZLRKRVVUUBTQAD-UHFFFAOYSA-N 2 1 374.485 0.679 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000423057190 490531347 /nfs/dbraw/zinc/53/13/47/490531347.db2.gz ZLRKRVVUUBTQAD-UHFFFAOYSA-N 2 1 374.485 0.679 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423057450 490531839 /nfs/dbraw/zinc/53/18/39/490531839.db2.gz ZTOJDXPTBUGPRA-KRWDZBQOSA-N 2 1 374.485 0.679 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423057450 490531844 /nfs/dbraw/zinc/53/18/44/490531844.db2.gz ZTOJDXPTBUGPRA-KRWDZBQOSA-N 2 1 374.485 0.679 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423055547 490531958 /nfs/dbraw/zinc/53/19/58/490531958.db2.gz DDYZQNAPINWTQD-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423055941 490532163 /nfs/dbraw/zinc/53/21/63/490532163.db2.gz XFNNBZFAFHANCW-QGZVFWFLSA-N 2 1 374.485 0.550 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423055941 490532167 /nfs/dbraw/zinc/53/21/67/490532167.db2.gz XFNNBZFAFHANCW-QGZVFWFLSA-N 2 1 374.485 0.550 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423068301 490535114 /nfs/dbraw/zinc/53/51/14/490535114.db2.gz JONVPMSUZMLZRK-QGZVFWFLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000485499885 490535652 /nfs/dbraw/zinc/53/56/52/490535652.db2.gz DRDOKNWBPRLWDV-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499885 490535659 /nfs/dbraw/zinc/53/56/59/490535659.db2.gz DRDOKNWBPRLWDV-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499885 490535663 /nfs/dbraw/zinc/53/56/63/490535663.db2.gz DRDOKNWBPRLWDV-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000485588027 490546002 /nfs/dbraw/zinc/54/60/02/490546002.db2.gz BJWDZVMHFJLDNC-INMHGKMJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000485588027 490546005 /nfs/dbraw/zinc/54/60/05/490546005.db2.gz BJWDZVMHFJLDNC-INMHGKMJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C[C@@H](C)O1 ZINC000564916217 491335651 /nfs/dbraw/zinc/33/56/51/491335651.db2.gz UJRQMSLDSJXEBB-ZIAGYGMSSA-N 2 1 352.483 0.635 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1CC ZINC000485814989 490560227 /nfs/dbraw/zinc/56/02/27/490560227.db2.gz HNHBXIXOSGFIKT-HZPDHXFCSA-N 2 1 364.494 0.776 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1CC ZINC000485814989 490560230 /nfs/dbraw/zinc/56/02/30/490560230.db2.gz HNHBXIXOSGFIKT-HZPDHXFCSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000485847807 490563023 /nfs/dbraw/zinc/56/30/23/490563023.db2.gz RVFDAVLFSIAIEU-LMMKCTJWSA-N 2 1 364.534 0.724 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000564922546 491337151 /nfs/dbraw/zinc/33/71/51/491337151.db2.gz XEDQQCSSKAWJFO-QZTJIDSGSA-N 2 1 358.486 0.535 20 0 FCADMP COc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000549603433 490591879 /nfs/dbraw/zinc/59/18/79/490591879.db2.gz DAATWRAPUMAYMD-NMWPEEMBSA-N 2 1 363.510 0.938 20 0 FCADMP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000549877115 490613351 /nfs/dbraw/zinc/61/33/51/490613351.db2.gz DEPRWESDAIBGPN-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000549877115 490613357 /nfs/dbraw/zinc/61/33/57/490613357.db2.gz DEPRWESDAIBGPN-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702526 490623975 /nfs/dbraw/zinc/62/39/75/490623975.db2.gz PITIKFOVOKLFBV-HZPDHXFCSA-N 2 1 366.506 0.694 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000550146621 490630989 /nfs/dbraw/zinc/63/09/89/490630989.db2.gz DKUSUCNUUBCERM-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+](C)C1(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000525823898 490639361 /nfs/dbraw/zinc/63/93/61/490639361.db2.gz XYDJSFKLOGGGGB-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000550326403 490660336 /nfs/dbraw/zinc/66/03/36/490660336.db2.gz GKUNIRVONWCIAM-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000550326403 490660343 /nfs/dbraw/zinc/66/03/43/490660343.db2.gz GKUNIRVONWCIAM-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)n1C ZINC000550366444 490666446 /nfs/dbraw/zinc/66/64/46/490666446.db2.gz KSBCNVZNUVZILG-UHFFFAOYSA-N 2 1 364.494 0.483 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000502019829 490667891 /nfs/dbraw/zinc/66/78/91/490667891.db2.gz SULGSCFRAHIEBR-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000572037387 491344678 /nfs/dbraw/zinc/34/46/78/491344678.db2.gz GKGWKVMRQGGEIQ-XYPHTWIQSA-N 2 1 366.506 0.079 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)Cc2ccccc2C1 ZINC000556996452 491347480 /nfs/dbraw/zinc/34/74/80/491347480.db2.gz MHZZXVLZPUFMFT-QGZVFWFLSA-N 2 1 370.497 0.555 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103741 491348725 /nfs/dbraw/zinc/34/87/25/491348725.db2.gz FDOVLMLRHZQJCX-QAPCUYQASA-N 2 1 358.486 0.739 20 0 FCADMP CN(CCC[N@@H+](C)C1CCN(CCO)CC1)C1CC[NH+](CCO)CC1 ZINC000487452491 490714015 /nfs/dbraw/zinc/71/40/15/490714015.db2.gz XWVAFRLMKFKRSZ-UHFFFAOYSA-N 2 1 356.555 0.154 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238485 490716208 /nfs/dbraw/zinc/71/62/08/490716208.db2.gz MXUBHKUVUAMNJD-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000513238485 490716210 /nfs/dbraw/zinc/71/62/10/490716210.db2.gz MXUBHKUVUAMNJD-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1=O ZINC000513238485 490716213 /nfs/dbraw/zinc/71/62/13/490716213.db2.gz MXUBHKUVUAMNJD-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000503264505 490748711 /nfs/dbraw/zinc/74/87/11/490748711.db2.gz PPCJABDSDUKFLU-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210873 490766489 /nfs/dbraw/zinc/76/64/89/490766489.db2.gz KQYAPGASFDZWAW-QZTJIDSGSA-N 3 1 354.539 0.877 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)C2)CC1 ZINC000503633435 490768381 /nfs/dbraw/zinc/76/83/81/490768381.db2.gz DMJVRYHEIRDHFF-OKYOBFRVSA-N 2 1 354.539 0.168 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCC(C)CC1 ZINC000557118568 491354162 /nfs/dbraw/zinc/35/41/62/491354162.db2.gz SCGYFMBBHZJXLE-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)Nc1nc(N2CC[N@@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765740 490774954 /nfs/dbraw/zinc/77/49/54/490774954.db2.gz HZSIJVXYWVMOFJ-ZNMIVQPWSA-N 2 1 363.510 0.106 20 0 FCADMP CC(C)Nc1nc(N2CC[N@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765740 490774958 /nfs/dbraw/zinc/77/49/58/490774958.db2.gz HZSIJVXYWVMOFJ-ZNMIVQPWSA-N 2 1 363.510 0.106 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000488842608 490777854 /nfs/dbraw/zinc/77/78/54/490777854.db2.gz XBDGLXCUNASOHI-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000488842608 490777858 /nfs/dbraw/zinc/77/78/58/490777858.db2.gz XBDGLXCUNASOHI-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000565143078 491355395 /nfs/dbraw/zinc/35/53/95/491355395.db2.gz HXJYMYNMRURYLD-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCC[NH+]1CCC(NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000539785224 490795707 /nfs/dbraw/zinc/79/57/07/490795707.db2.gz GOJQOKVWMHRPDH-UHFFFAOYSA-N 2 1 360.462 0.875 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCSC[C@H]3C(N)=O)CC2)CC1 ZINC000565190213 491358967 /nfs/dbraw/zinc/35/89/67/491358967.db2.gz SIOFMNQVXSHOHO-INIZCTEOSA-N 2 1 368.547 0.612 20 0 FCADMP COC[C@]1(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000514934631 490798725 /nfs/dbraw/zinc/79/87/25/490798725.db2.gz LSYQGMYQLLVEJT-NRFANRHFSA-N 2 1 374.529 0.889 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000515043073 490805235 /nfs/dbraw/zinc/80/52/35/490805235.db2.gz QEDOXJZRWCKIIL-UHFFFAOYSA-N 2 1 354.495 0.605 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000515073948 490807749 /nfs/dbraw/zinc/80/77/49/490807749.db2.gz VQRXNWXRNCRBNA-CYBMUJFWSA-N 2 1 351.451 0.541 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604897 490811800 /nfs/dbraw/zinc/81/18/00/490811800.db2.gz PGQZTFDVLXBULT-BVBHFADKSA-N 2 1 361.486 0.298 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC000515346944 490820635 /nfs/dbraw/zinc/82/06/35/490820635.db2.gz HCPHOTLHCYCDQX-HOTGVXAUSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCNC(=O)C3(C)C)CC2)CC1 ZINC000565181102 491358018 /nfs/dbraw/zinc/35/80/18/491358018.db2.gz LNOKMLXLGIUDRH-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619370 490833722 /nfs/dbraw/zinc/83/37/22/490833722.db2.gz ZDPIWWJFCADMCK-IEBWSBKVSA-N 2 1 374.533 0.481 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCNS(=O)(=O)CC)CC2)CC1 ZINC000515864897 490841603 /nfs/dbraw/zinc/84/16/03/490841603.db2.gz PVMGXDVGMIQHEJ-UHFFFAOYSA-N 2 1 374.551 0.238 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872193 490842221 /nfs/dbraw/zinc/84/22/21/490842221.db2.gz VCJUAXOPWCUSIX-UBDQQSCGSA-N 2 1 371.485 0.603 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303545 490848787 /nfs/dbraw/zinc/84/87/87/490848787.db2.gz OIJXUOCYKPVZQM-CVEARBPZSA-N 2 1 353.511 0.569 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3COCC[NH2+]3)CC2)oc1C ZINC000529303332 490849004 /nfs/dbraw/zinc/84/90/04/490849004.db2.gz DMLINHDYCVBNOK-INIZCTEOSA-N 2 1 365.478 0.791 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224458 491361512 /nfs/dbraw/zinc/36/15/12/491361512.db2.gz JENATBPKJNDRCU-APWZRJJASA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000565224458 491361514 /nfs/dbraw/zinc/36/15/14/491361514.db2.gz JENATBPKJNDRCU-APWZRJJASA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000565224458 491361516 /nfs/dbraw/zinc/36/15/16/491361516.db2.gz JENATBPKJNDRCU-APWZRJJASA-N 2 1 360.458 0.496 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000516213363 490857374 /nfs/dbraw/zinc/85/73/74/490857374.db2.gz RLHDPTJTFIVDRN-DOTOQJQBSA-N 2 1 371.485 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000516213363 490857376 /nfs/dbraw/zinc/85/73/76/490857376.db2.gz RLHDPTJTFIVDRN-DOTOQJQBSA-N 2 1 371.485 0.638 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234152 491363087 /nfs/dbraw/zinc/36/30/87/491363087.db2.gz QXUZNDFUJDXKTI-ZIAGYGMSSA-N 2 1 355.398 0.549 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234152 491363089 /nfs/dbraw/zinc/36/30/89/491363089.db2.gz QXUZNDFUJDXKTI-ZIAGYGMSSA-N 2 1 355.398 0.549 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000516856190 490880657 /nfs/dbraw/zinc/88/06/57/490880657.db2.gz FZUIGXSSPNVOIC-LSDHHAIUSA-N 2 1 367.519 0.406 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000516960113 490887352 /nfs/dbraw/zinc/88/73/52/490887352.db2.gz SHCSJNVLSWDOKY-HOTGVXAUSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000516960113 490887355 /nfs/dbraw/zinc/88/73/55/490887355.db2.gz SHCSJNVLSWDOKY-HOTGVXAUSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542168670 490887864 /nfs/dbraw/zinc/88/78/64/490887864.db2.gz STXZBZNFVDBTLP-KAKFPZCNSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000516997201 490890055 /nfs/dbraw/zinc/89/00/55/490890055.db2.gz BYDRWQJBPQQDOE-OAHLLOKOSA-N 2 1 366.506 0.322 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000516997200 490890268 /nfs/dbraw/zinc/89/02/68/490890268.db2.gz BYDRWQJBPQQDOE-HNNXBMFYSA-N 2 1 366.506 0.322 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000517033900 490892182 /nfs/dbraw/zinc/89/21/82/490892182.db2.gz ONGBKTVPAWVZRY-INIZCTEOSA-N 2 1 363.481 0.676 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517341406 490904525 /nfs/dbraw/zinc/90/45/25/490904525.db2.gz LXENKAVQLQMOLP-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000542777818 490908495 /nfs/dbraw/zinc/90/84/95/490908495.db2.gz CCWGOKQUBDSPMG-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000572346803 491363870 /nfs/dbraw/zinc/36/38/70/491363870.db2.gz SOJSTBKSXSHSGW-XHSDSOJGSA-N 2 1 363.531 0.897 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517719276 490917910 /nfs/dbraw/zinc/91/79/10/490917910.db2.gz OSPKJSJFEPKZKO-HXUWFJFHSA-N 2 1 373.545 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000557288768 491365605 /nfs/dbraw/zinc/36/56/05/491365605.db2.gz ROJNKOOMRBUYEC-BPQIPLTHSA-N 2 1 358.486 0.820 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000565252987 491365971 /nfs/dbraw/zinc/36/59/71/491365971.db2.gz GNSUTALWUFPLPN-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252968 491366072 /nfs/dbraw/zinc/36/60/72/491366072.db2.gz FZXVTQIFIYOGPQ-PVAVHDDUSA-N 2 1 359.474 0.460 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000565256389 491366249 /nfs/dbraw/zinc/36/62/49/491366249.db2.gz ZJURSNJBKHCQBO-OAGGEKHMSA-N 2 1 365.522 0.840 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000518930400 490955347 /nfs/dbraw/zinc/95/53/47/490955347.db2.gz MVODXCHRROGLED-UHFFFAOYSA-N 2 1 356.511 0.707 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)CC[C@@H]21 ZINC000518960824 490957079 /nfs/dbraw/zinc/95/70/79/490957079.db2.gz VVTBPKUWMDPPPG-XDNAFOTISA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970584 490957505 /nfs/dbraw/zinc/95/75/05/490957505.db2.gz JAUNKWXJDODRMB-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000518970584 490957506 /nfs/dbraw/zinc/95/75/06/490957506.db2.gz JAUNKWXJDODRMB-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000518970584 490957507 /nfs/dbraw/zinc/95/75/07/490957507.db2.gz JAUNKWXJDODRMB-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000544668636 490975061 /nfs/dbraw/zinc/97/50/61/490975061.db2.gz WTRJLVFQMOTVDW-RDJZCZTQSA-N 2 1 367.538 0.946 20 0 FCADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000519541565 490975283 /nfs/dbraw/zinc/97/52/83/490975283.db2.gz CPSRWWAJMLMLFF-IRXDYDNUSA-N 2 1 351.495 0.324 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000519640542 490981219 /nfs/dbraw/zinc/98/12/19/490981219.db2.gz DKESJCPSXQYNIH-WBVHZDCISA-N 2 1 366.531 0.840 20 0 FCADMP CCCN(CC[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000532217388 490989459 /nfs/dbraw/zinc/98/94/59/490989459.db2.gz ZRALGUHQEZDQEY-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1C ZINC000532265055 490990082 /nfs/dbraw/zinc/99/00/82/490990082.db2.gz FROVEHPPTFQFOU-HOTGVXAUSA-N 2 1 364.494 0.663 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000532264884 490990102 /nfs/dbraw/zinc/99/01/02/490990102.db2.gz ZMXJSEQJRGMULI-BBWFWOEESA-N 2 1 354.495 0.384 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562442361 491166121 /nfs/dbraw/zinc/16/61/21/491166121.db2.gz PUGCEZOGPBWIFA-LMMKCTJWSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562442361 491166122 /nfs/dbraw/zinc/16/61/22/491166122.db2.gz PUGCEZOGPBWIFA-LMMKCTJWSA-N 2 1 357.539 0.747 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000569576992 491170432 /nfs/dbraw/zinc/17/04/32/491170432.db2.gz UEEWKJWQQKRYHI-CWRNSKLLSA-N 2 1 361.442 0.970 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000569576992 491170434 /nfs/dbraw/zinc/17/04/34/491170434.db2.gz UEEWKJWQQKRYHI-CWRNSKLLSA-N 2 1 361.442 0.970 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)C1=O ZINC000562733779 491185404 /nfs/dbraw/zinc/18/54/04/491185404.db2.gz NAIPDNHCJKOORW-IXDOHACOSA-N 2 1 372.469 0.267 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000557338103 491368821 /nfs/dbraw/zinc/36/88/21/491368821.db2.gz SIADBIDPPDHNRS-INIZCTEOSA-N 2 1 366.487 0.737 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000557346371 491368945 /nfs/dbraw/zinc/36/89/45/491368945.db2.gz HVDMHRRAXXTDBE-QGZVFWFLSA-N 2 1 369.554 0.175 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000557382225 491371783 /nfs/dbraw/zinc/37/17/83/491371783.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 2 1 369.554 0.317 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557382225 491371784 /nfs/dbraw/zinc/37/17/84/491371784.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 2 1 369.554 0.317 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557382225 491371786 /nfs/dbraw/zinc/37/17/86/491371786.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 2 1 369.554 0.317 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000557382225 491371788 /nfs/dbraw/zinc/37/17/88/491371788.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 2 1 369.554 0.317 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000557490290 491377496 /nfs/dbraw/zinc/37/74/96/491377496.db2.gz QGEGXFZTRKDMIA-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000557501379 491379164 /nfs/dbraw/zinc/37/91/64/491379164.db2.gz RWNQOKIWQNDKJK-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000673512512 493337919 /nfs/dbraw/zinc/33/79/19/493337919.db2.gz CVCOYKQPZCGXEB-ZBRFXRBCSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000673512512 493337922 /nfs/dbraw/zinc/33/79/22/493337922.db2.gz CVCOYKQPZCGXEB-ZBRFXRBCSA-N 2 1 353.507 0.788 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619457 491382017 /nfs/dbraw/zinc/38/20/17/491382017.db2.gz PSCHLZLJNBNGLB-SJORKVTESA-N 2 1 365.522 0.572 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557554531 491382154 /nfs/dbraw/zinc/38/21/54/491382154.db2.gz MPDKFALJADESOM-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572621589 491382451 /nfs/dbraw/zinc/38/24/51/491382451.db2.gz FEBOTNFZYZQYOD-HNNXBMFYSA-N 2 1 371.485 0.730 20 0 FCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572621589 491382452 /nfs/dbraw/zinc/38/24/52/491382452.db2.gz FEBOTNFZYZQYOD-HNNXBMFYSA-N 2 1 371.485 0.730 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565202 491383707 /nfs/dbraw/zinc/38/37/07/491383707.db2.gz XEOQMTIENWIZDC-ZBFHGGJFSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@H+](C)C1CC1 ZINC000557565202 491383709 /nfs/dbraw/zinc/38/37/09/491383709.db2.gz XEOQMTIENWIZDC-ZBFHGGJFSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)C1CC1 ZINC000557565202 491383711 /nfs/dbraw/zinc/38/37/11/491383711.db2.gz XEOQMTIENWIZDC-ZBFHGGJFSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000572667406 491386003 /nfs/dbraw/zinc/38/60/03/491386003.db2.gz WVMVIYDYOFIUBM-CXAGYDPISA-N 2 1 354.520 0.307 20 0 FCADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC000673514469 493339417 /nfs/dbraw/zinc/33/94/17/493339417.db2.gz GZXSEUYZSHDOSO-WOJBJXKFSA-N 2 1 372.513 0.715 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CC[N@@H+]1C ZINC000660281352 493339472 /nfs/dbraw/zinc/33/94/72/493339472.db2.gz XRIOPDTZOSFLPQ-GJZGRUSLSA-N 2 1 362.478 0.023 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572736261 491390364 /nfs/dbraw/zinc/39/03/64/491390364.db2.gz OEWVHEMXCFJJFA-GXTWGEPZSA-N 2 1 373.409 0.972 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572736261 491390366 /nfs/dbraw/zinc/39/03/66/491390366.db2.gz OEWVHEMXCFJJFA-GXTWGEPZSA-N 2 1 373.409 0.972 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000565672250 491393083 /nfs/dbraw/zinc/39/30/83/491393083.db2.gz ZFMXLGNALQBTAK-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000572843232 491396994 /nfs/dbraw/zinc/39/69/94/491396994.db2.gz IHTNWJHRTUDBPI-HRCADAONSA-N 2 1 359.474 0.599 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572843232 491396996 /nfs/dbraw/zinc/39/69/96/491396996.db2.gz IHTNWJHRTUDBPI-HRCADAONSA-N 2 1 359.474 0.599 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885616 491399665 /nfs/dbraw/zinc/39/96/65/491399665.db2.gz HNXCETJMXGZLKP-ZWKOTPCHSA-N 2 1 372.517 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000565789710 491399778 /nfs/dbraw/zinc/39/97/78/491399778.db2.gz YIPNBXCLKOFKHB-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904610 491404650 /nfs/dbraw/zinc/40/46/50/491404650.db2.gz JDEKQANPOUMASC-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCCCC1 ZINC000573091314 491412044 /nfs/dbraw/zinc/41/20/44/491412044.db2.gz LJZRFPLMCLJDCP-UHFFFAOYSA-N 2 1 370.563 0.922 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660299176 493341115 /nfs/dbraw/zinc/34/11/15/493341115.db2.gz YVPQWIBTMLWSKP-ZWKOTPCHSA-N 2 1 368.522 0.896 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)cc2)n[nH]1 ZINC000566067719 491415747 /nfs/dbraw/zinc/41/57/47/491415747.db2.gz YCDINRUUXPKAMF-NSHDSACASA-N 2 1 352.402 0.983 20 0 FCADMP CC(C)(CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000566166078 491421814 /nfs/dbraw/zinc/42/18/14/491421814.db2.gz YBQJEHAPCCTNPG-KRWDZBQOSA-N 2 1 358.486 0.808 20 0 FCADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000566180280 491423321 /nfs/dbraw/zinc/42/33/21/491423321.db2.gz APNZADNHBNSLIO-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000566244932 491430093 /nfs/dbraw/zinc/43/00/93/491430093.db2.gz COLXYVPXLUZJJY-ZIAGYGMSSA-N 2 1 366.487 0.594 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244176 491430160 /nfs/dbraw/zinc/43/01/60/491430160.db2.gz DBNSWYGNEDVJTQ-WCIQWLHISA-N 3 1 374.529 0.498 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244176 491430161 /nfs/dbraw/zinc/43/01/61/491430161.db2.gz DBNSWYGNEDVJTQ-WCIQWLHISA-N 2 1 374.529 0.498 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000573429824 491432711 /nfs/dbraw/zinc/43/27/11/491432711.db2.gz GQYRYCKYONOZSU-FHULIHMCSA-N 2 1 350.507 0.665 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000573429825 491432774 /nfs/dbraw/zinc/43/27/74/491432774.db2.gz GQYRYCKYONOZSU-FQMQPWHVSA-N 2 1 350.507 0.665 20 0 FCADMP COC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000573442276 491433472 /nfs/dbraw/zinc/43/34/72/491433472.db2.gz OQLWKZTWCLAEJU-HNNXBMFYSA-N 2 1 354.882 0.942 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000573526543 491438668 /nfs/dbraw/zinc/43/86/68/491438668.db2.gz AYYBFUVCUISVAM-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000573526543 491438669 /nfs/dbraw/zinc/43/86/69/491438669.db2.gz AYYBFUVCUISVAM-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000573637775 491445590 /nfs/dbraw/zinc/44/55/90/491445590.db2.gz BETWLZNIQSXNML-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000573637775 491445592 /nfs/dbraw/zinc/44/55/92/491445592.db2.gz BETWLZNIQSXNML-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000573637775 491445593 /nfs/dbraw/zinc/44/55/93/491445593.db2.gz BETWLZNIQSXNML-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496661 491448952 /nfs/dbraw/zinc/44/89/52/491448952.db2.gz SVBWJLNCKSTAKR-RCCFBDPRSA-N 2 1 374.460 0.951 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496661 491448953 /nfs/dbraw/zinc/44/89/53/491448953.db2.gz SVBWJLNCKSTAKR-RCCFBDPRSA-N 2 1 374.460 0.951 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496567 491449003 /nfs/dbraw/zinc/44/90/03/491449003.db2.gz SAUHAULPYJQSRS-KZNAEPCWSA-N 2 1 356.470 0.669 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566562120 491453211 /nfs/dbraw/zinc/45/32/11/491453211.db2.gz HQMCQXVBBWLLSI-QYZOEREBSA-N 3 1 360.502 0.061 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785527 491454704 /nfs/dbraw/zinc/45/47/04/491454704.db2.gz CAPVCXANJWZWTM-FUHWJXTLSA-N 2 1 364.490 0.811 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785527 491454706 /nfs/dbraw/zinc/45/47/06/491454706.db2.gz CAPVCXANJWZWTM-FUHWJXTLSA-N 2 1 364.490 0.811 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000573808128 491456559 /nfs/dbraw/zinc/45/65/59/491456559.db2.gz GJJWVYZHDWUXNI-UHFFFAOYSA-N 2 1 353.511 0.747 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566728277 491462809 /nfs/dbraw/zinc/46/28/09/491462809.db2.gz VHPIWHHZRUBSCW-DLBZAZTESA-N 2 1 359.474 0.634 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559327552 491464475 /nfs/dbraw/zinc/46/44/75/491464475.db2.gz XBSYDPXQJZWFAB-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559327552 491464476 /nfs/dbraw/zinc/46/44/76/491464476.db2.gz XBSYDPXQJZWFAB-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@@H+](CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000566912935 491474774 /nfs/dbraw/zinc/47/47/74/491474774.db2.gz NCUCWSMWVCZOHE-INIZCTEOSA-N 2 1 350.438 0.632 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000574142936 491476918 /nfs/dbraw/zinc/47/69/18/491476918.db2.gz JVABLEJDLSNPGR-UHFFFAOYSA-N 2 1 362.474 0.251 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145930 491477160 /nfs/dbraw/zinc/47/71/60/491477160.db2.gz QZVCTALNRCEEKQ-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145930 491477163 /nfs/dbraw/zinc/47/71/63/491477163.db2.gz QZVCTALNRCEEKQ-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145930 491477164 /nfs/dbraw/zinc/47/71/64/491477164.db2.gz QZVCTALNRCEEKQ-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559574786 491482548 /nfs/dbraw/zinc/48/25/48/491482548.db2.gz NCHQEVBGXZZWKU-INIZCTEOSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567062558 491483714 /nfs/dbraw/zinc/48/37/14/491483714.db2.gz ANNWHVVVOIUAOY-ZWKOTPCHSA-N 2 1 373.501 0.980 20 0 FCADMP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567139119 491488309 /nfs/dbraw/zinc/48/83/09/491488309.db2.gz DSOSIRIQONRPQZ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000567139119 491488311 /nfs/dbraw/zinc/48/83/11/491488311.db2.gz DSOSIRIQONRPQZ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567139119 491488314 /nfs/dbraw/zinc/48/83/14/491488314.db2.gz DSOSIRIQONRPQZ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567139119 491488316 /nfs/dbraw/zinc/48/83/16/491488316.db2.gz DSOSIRIQONRPQZ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339811 491490517 /nfs/dbraw/zinc/49/05/17/491490517.db2.gz VYKHAWDRZRPJGL-YLJYHZDGSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000574339811 491490518 /nfs/dbraw/zinc/49/05/18/491490518.db2.gz VYKHAWDRZRPJGL-YLJYHZDGSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000574339811 491490520 /nfs/dbraw/zinc/49/05/20/491490520.db2.gz VYKHAWDRZRPJGL-YLJYHZDGSA-N 2 1 374.485 0.886 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000567221582 491492718 /nfs/dbraw/zinc/49/27/18/491492718.db2.gz YVXAYGMJRLCHIR-QGZVFWFLSA-N 2 1 368.522 0.309 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000567221582 491492721 /nfs/dbraw/zinc/49/27/21/491492721.db2.gz YVXAYGMJRLCHIR-QGZVFWFLSA-N 2 1 368.522 0.309 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000559760173 491497009 /nfs/dbraw/zinc/49/70/09/491497009.db2.gz ZJEPOJMMZPFCCF-UHFFFAOYSA-N 2 1 365.478 0.003 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000559760173 491497010 /nfs/dbraw/zinc/49/70/10/491497010.db2.gz ZJEPOJMMZPFCCF-UHFFFAOYSA-N 2 1 365.478 0.003 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000574446543 491497197 /nfs/dbraw/zinc/49/71/97/491497197.db2.gz FBODPZFYGQPGIM-JKSUJKDBSA-N 2 1 355.527 0.957 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000559762457 491497397 /nfs/dbraw/zinc/49/73/97/491497397.db2.gz GCMRZZQBJDXFLM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000559762457 491497398 /nfs/dbraw/zinc/49/73/98/491497398.db2.gz GCMRZZQBJDXFLM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000559762457 491497400 /nfs/dbraw/zinc/49/74/00/491497400.db2.gz GCMRZZQBJDXFLM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567356388 491501726 /nfs/dbraw/zinc/50/17/26/491501726.db2.gz JRQLGPMIUZDUGO-IEBWSBKVSA-N 2 1 352.523 0.805 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN(CC[NH+](C)C)Cc2ccccn2)C[C@H](C)O1 ZINC000574581416 491506635 /nfs/dbraw/zinc/50/66/35/491506635.db2.gz JZKHUUIQDTZYNN-SCTDSRPQSA-N 2 1 350.507 0.915 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CN(CC[NH+](C)C)Cc2ccccn2)C[C@H](C)O1 ZINC000574581416 491506638 /nfs/dbraw/zinc/50/66/38/491506638.db2.gz JZKHUUIQDTZYNN-SCTDSRPQSA-N 2 1 350.507 0.915 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559904187 491509193 /nfs/dbraw/zinc/50/91/93/491509193.db2.gz NABANBQRKBIASK-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488052 491509443 /nfs/dbraw/zinc/50/94/43/491509443.db2.gz DNCJJRASMHPVFF-NJAFHUGGSA-N 2 1 373.501 0.850 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000574641225 491509935 /nfs/dbraw/zinc/50/99/35/491509935.db2.gz UUZITQHYZVWBAR-UHFFFAOYSA-N 2 1 371.445 0.267 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000559923077 491510008 /nfs/dbraw/zinc/51/00/08/491510008.db2.gz PFWMQOWOWZHCCK-KRWDZBQOSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000574674693 491512484 /nfs/dbraw/zinc/51/24/84/491512484.db2.gz RZAYLTOSXBYGIX-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000574674693 491512486 /nfs/dbraw/zinc/51/24/86/491512486.db2.gz RZAYLTOSXBYGIX-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674693 491512488 /nfs/dbraw/zinc/51/24/88/491512488.db2.gz RZAYLTOSXBYGIX-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674693 491512490 /nfs/dbraw/zinc/51/24/90/491512490.db2.gz RZAYLTOSXBYGIX-KFWWJZLASA-N 2 1 366.506 0.031 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560021427 491515695 /nfs/dbraw/zinc/51/56/95/491515695.db2.gz AFDNCNNAWCTCLW-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000560026994 491516505 /nfs/dbraw/zinc/51/65/05/491516505.db2.gz YTGXVIXHGCXICH-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778093 491519775 /nfs/dbraw/zinc/51/97/75/491519775.db2.gz JVKVFQRMKCEJIU-RDJZCZTQSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778093 491519776 /nfs/dbraw/zinc/51/97/76/491519776.db2.gz JVKVFQRMKCEJIU-RDJZCZTQSA-N 2 1 362.474 0.070 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567642750 491520396 /nfs/dbraw/zinc/52/03/96/491520396.db2.gz YZWBATSEBODUHD-HLLBOEOZSA-N 2 1 366.531 0.920 20 0 FCADMP COC(=O)[C@@](C)(O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574839272 491523125 /nfs/dbraw/zinc/52/31/25/491523125.db2.gz IBRQTNILPJCCDE-DAYGRLMNSA-N 2 1 358.479 0.501 20 0 FCADMP COC(=O)[C@@](C)(O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574839272 491523128 /nfs/dbraw/zinc/52/31/28/491523128.db2.gz IBRQTNILPJCCDE-DAYGRLMNSA-N 2 1 358.479 0.501 20 0 FCADMP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575056103 491536610 /nfs/dbraw/zinc/53/66/10/491536610.db2.gz TUKUNTONOHOVIO-FUHWJXTLSA-N 2 1 373.501 0.182 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000575079811 491538144 /nfs/dbraw/zinc/53/81/44/491538144.db2.gz PBOBOQPGJAKYCR-UHFFFAOYSA-N 2 1 359.430 0.183 20 0 FCADMP COCCN(C)CCNC(=O)C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000575079811 491538147 /nfs/dbraw/zinc/53/81/47/491538147.db2.gz PBOBOQPGJAKYCR-UHFFFAOYSA-N 2 1 359.430 0.183 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000575115207 491540066 /nfs/dbraw/zinc/54/00/66/491540066.db2.gz KMOJIABIUDUVSQ-HZPDHXFCSA-N 2 1 357.458 0.107 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567982565 491544526 /nfs/dbraw/zinc/54/45/26/491544526.db2.gz BGUBVDHICUXVLA-IEBWSBKVSA-N 2 1 352.523 0.759 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567982564 491544644 /nfs/dbraw/zinc/54/46/44/491544644.db2.gz BGUBVDHICUXVLA-HKUYNNGSSA-N 2 1 352.523 0.759 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567983144 491544727 /nfs/dbraw/zinc/54/47/27/491544727.db2.gz SLIXZASIBRMHIL-GOSISDBHSA-N 2 1 373.501 0.183 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596234 491546432 /nfs/dbraw/zinc/54/64/32/491546432.db2.gz LRTVFGLTRCEACS-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000575243834 491547874 /nfs/dbraw/zinc/54/78/74/491547874.db2.gz DTORJFQTGCOOQE-USXIJHARSA-N 2 1 372.469 0.956 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000560885025 491561966 /nfs/dbraw/zinc/56/19/66/491561966.db2.gz QJKVPSXKGACIFD-INIZCTEOSA-N 2 1 356.511 0.117 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000560887724 491562568 /nfs/dbraw/zinc/56/25/68/491562568.db2.gz VZKUTNRAHBNLNN-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP C[N@@H+](C[C@@H](O)CNCc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383511 491573160 /nfs/dbraw/zinc/57/31/60/491573160.db2.gz QBVYKFXIZWOEIU-HNNXBMFYSA-N 2 1 371.478 0.910 20 0 FCADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383511 491573162 /nfs/dbraw/zinc/57/31/62/491573162.db2.gz QBVYKFXIZWOEIU-HNNXBMFYSA-N 2 1 371.478 0.910 20 0 FCADMP CC[NH2+]CCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000561124869 491577129 /nfs/dbraw/zinc/57/71/29/491577129.db2.gz CDRRDWXRXLVGOA-UHFFFAOYSA-N 2 1 361.490 0.873 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000561145286 491578615 /nfs/dbraw/zinc/57/86/15/491578615.db2.gz DHJINWFCOZFNSN-OAHLLOKOSA-N 2 1 369.535 0.572 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000577045375 491583404 /nfs/dbraw/zinc/58/34/04/491583404.db2.gz JIEONRDYFZDFDV-IKGGRYGDSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000577045375 491583408 /nfs/dbraw/zinc/58/34/08/491583408.db2.gz JIEONRDYFZDFDV-IKGGRYGDSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000577045375 491583410 /nfs/dbraw/zinc/58/34/10/491583410.db2.gz JIEONRDYFZDFDV-IKGGRYGDSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000577045375 491583414 /nfs/dbraw/zinc/58/34/14/491583414.db2.gz JIEONRDYFZDFDV-IKGGRYGDSA-N 2 1 368.522 0.401 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000584396559 491586359 /nfs/dbraw/zinc/58/63/59/491586359.db2.gz RIJFJTWHEGADIX-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568565945 491587002 /nfs/dbraw/zinc/58/70/02/491587002.db2.gz ZQJHLPKGMIYYME-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000561239458 491587881 /nfs/dbraw/zinc/58/78/81/491587881.db2.gz WPSSFUUIAVDLSO-UHFFFAOYSA-N 2 1 352.401 0.493 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000561239458 491587884 /nfs/dbraw/zinc/58/78/84/491587884.db2.gz WPSSFUUIAVDLSO-UHFFFAOYSA-N 2 1 352.401 0.493 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673656311 493353555 /nfs/dbraw/zinc/35/35/55/493353555.db2.gz JNOCYHJHIGLVSV-SJLPKXTDSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673656311 493353561 /nfs/dbraw/zinc/35/35/61/493353561.db2.gz JNOCYHJHIGLVSV-SJLPKXTDSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000673656311 493353563 /nfs/dbraw/zinc/35/35/63/493353563.db2.gz JNOCYHJHIGLVSV-SJLPKXTDSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000673656311 493353567 /nfs/dbraw/zinc/35/35/67/493353567.db2.gz JNOCYHJHIGLVSV-SJLPKXTDSA-N 2 1 373.501 0.750 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000576222890 491594190 /nfs/dbraw/zinc/59/41/90/491594190.db2.gz AMYALGAHPYFXGS-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000576222890 491594195 /nfs/dbraw/zinc/59/41/95/491594195.db2.gz AMYALGAHPYFXGS-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1CCOC ZINC000584515558 491599119 /nfs/dbraw/zinc/59/91/19/491599119.db2.gz PNVPJRZRLDHZFV-MRXNPFEDSA-N 2 1 356.511 0.356 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1CCOC ZINC000584515558 491599121 /nfs/dbraw/zinc/59/91/21/491599121.db2.gz PNVPJRZRLDHZFV-MRXNPFEDSA-N 2 1 356.511 0.356 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000576293250 491602569 /nfs/dbraw/zinc/60/25/69/491602569.db2.gz NXJBPPATVIQWIU-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000576415689 491613261 /nfs/dbraw/zinc/61/32/61/491613261.db2.gz MWJQLWGXZYLJLT-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000576415689 491613264 /nfs/dbraw/zinc/61/32/64/491613264.db2.gz MWJQLWGXZYLJLT-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000577359768 491614255 /nfs/dbraw/zinc/61/42/55/491614255.db2.gz XQGOTDWEEIYZOS-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000577371055 491615736 /nfs/dbraw/zinc/61/57/36/491615736.db2.gz KFZUBZKTVMQNRN-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000576531159 491622659 /nfs/dbraw/zinc/62/26/59/491622659.db2.gz UIJQQVXQXUGVON-LBPRGKRZSA-N 2 1 361.450 0.019 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000569121379 491635848 /nfs/dbraw/zinc/63/58/48/491635848.db2.gz FSWXDYCDQZHHCW-IPYPFGDCSA-N 2 1 350.463 0.656 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000577649793 491640399 /nfs/dbraw/zinc/64/03/99/491640399.db2.gz PVOHWXGDSQNFER-UHFFFAOYSA-N 2 1 364.465 0.928 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000576787467 491644831 /nfs/dbraw/zinc/64/48/31/491644831.db2.gz ZZSPEQDHIYPRGH-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660507923 493358274 /nfs/dbraw/zinc/35/82/74/493358274.db2.gz FLFXOKSNWXXUMF-UHFFFAOYSA-N 2 1 370.538 0.482 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660507923 493358277 /nfs/dbraw/zinc/35/82/77/493358277.db2.gz FLFXOKSNWXXUMF-UHFFFAOYSA-N 2 1 370.538 0.482 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440176 491661738 /nfs/dbraw/zinc/66/17/38/491661738.db2.gz QOWVYRUJQGHTIJ-VYDXJSESSA-N 2 1 363.506 0.323 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000576998238 491663503 /nfs/dbraw/zinc/66/35/03/491663503.db2.gz DNQSMFRXMKICHM-UHFFFAOYSA-N 2 1 354.495 0.015 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000578062310 491668987 /nfs/dbraw/zinc/66/89/87/491668987.db2.gz SEYDTAAQXACTCM-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000578062310 491668988 /nfs/dbraw/zinc/66/89/88/491668988.db2.gz SEYDTAAQXACTCM-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP CO[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1(C)C ZINC000578097301 491669882 /nfs/dbraw/zinc/66/98/82/491669882.db2.gz QZTHJEKESQUKSS-HOTGVXAUSA-N 2 1 368.522 0.401 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000578209048 491672174 /nfs/dbraw/zinc/67/21/74/491672174.db2.gz JXZZHUJFDRWCMJ-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000578228030 491672816 /nfs/dbraw/zinc/67/28/16/491672816.db2.gz FAEHBZIRMPSWPX-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578324699 491674630 /nfs/dbraw/zinc/67/46/30/491674630.db2.gz SMOVPBOCFCQJRC-KYJSFNMBSA-N 2 1 374.485 0.802 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343135 491675157 /nfs/dbraw/zinc/67/51/57/491675157.db2.gz CCNYRSVCLZMMLV-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343135 491675158 /nfs/dbraw/zinc/67/51/58/491675158.db2.gz CCNYRSVCLZMMLV-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)CC2 ZINC000578633361 491681362 /nfs/dbraw/zinc/68/13/62/491681362.db2.gz LMGDRTIDUVDBSR-NVXWUHKLSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000578633361 491681363 /nfs/dbraw/zinc/68/13/63/491681363.db2.gz LMGDRTIDUVDBSR-NVXWUHKLSA-N 2 1 359.474 0.519 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000578996739 491688629 /nfs/dbraw/zinc/68/86/29/491688629.db2.gz RWRNLBJAJUMISS-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578996739 491688630 /nfs/dbraw/zinc/68/86/30/491688630.db2.gz RWRNLBJAJUMISS-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000578996739 491688631 /nfs/dbraw/zinc/68/86/31/491688631.db2.gz RWRNLBJAJUMISS-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579491903 491699119 /nfs/dbraw/zinc/69/91/19/491699119.db2.gz QMMAKQQHLYTTOD-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579491903 491699120 /nfs/dbraw/zinc/69/91/20/491699120.db2.gz QMMAKQQHLYTTOD-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000579529332 491699739 /nfs/dbraw/zinc/69/97/39/491699739.db2.gz BHFXAGIOXSOALK-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000579529332 491699740 /nfs/dbraw/zinc/69/97/40/491699740.db2.gz BHFXAGIOXSOALK-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)NC)CC3)CC2)CC1 ZINC000579851232 491706945 /nfs/dbraw/zinc/70/69/45/491706945.db2.gz LLLLDGQWUWQSDF-UHFFFAOYSA-N 2 1 365.522 0.666 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000579936580 491710132 /nfs/dbraw/zinc/71/01/32/491710132.db2.gz XHOQQNFLQPOUHH-UHFFFAOYSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580053986 491714952 /nfs/dbraw/zinc/71/49/52/491714952.db2.gz SUDNXAPAMMZIMF-BQFCYCMXSA-N 2 1 362.518 0.968 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000580053314 491715035 /nfs/dbraw/zinc/71/50/35/491715035.db2.gz RXCZXLHTOUOISS-SFHVURJKSA-N 2 1 361.490 0.222 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000580054278 491715102 /nfs/dbraw/zinc/71/51/02/491715102.db2.gz ZFTWVGHNNLQHJD-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000580054278 491715103 /nfs/dbraw/zinc/71/51/03/491715103.db2.gz ZFTWVGHNNLQHJD-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000584839432 491716618 /nfs/dbraw/zinc/71/66/18/491716618.db2.gz NGTKTQDUNSEZPN-SFHVURJKSA-N 2 1 358.486 0.871 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000580125460 491718747 /nfs/dbraw/zinc/71/87/47/491718747.db2.gz KWUZZPCOGZUHAT-LZWOXQAQSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000580910238 491751447 /nfs/dbraw/zinc/75/14/47/491751447.db2.gz IMGCUVNTQDGSSU-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000589220990 491757671 /nfs/dbraw/zinc/75/76/71/491757671.db2.gz WSCWMSWTLKJVMP-HOTGVXAUSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000589220990 491757672 /nfs/dbraw/zinc/75/76/72/491757672.db2.gz WSCWMSWTLKJVMP-HOTGVXAUSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000589220990 491757673 /nfs/dbraw/zinc/75/76/73/491757673.db2.gz WSCWMSWTLKJVMP-HOTGVXAUSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000581201680 491764026 /nfs/dbraw/zinc/76/40/26/491764026.db2.gz DVQROWRNPAALTQ-OAGGEKHMSA-N 2 1 354.495 0.648 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000581205574 491764181 /nfs/dbraw/zinc/76/41/81/491764181.db2.gz CBLCBIVRPJGYFY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CN1C(=O)NCC12CC[NH+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000581306681 491767854 /nfs/dbraw/zinc/76/78/54/491767854.db2.gz SKUYYJWHSDEIAM-QGZVFWFLSA-N 2 1 373.501 0.895 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581360535 491769630 /nfs/dbraw/zinc/76/96/30/491769630.db2.gz LCPOEQPJOGAMDO-GOEBONIOSA-N 2 1 360.458 0.764 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581360535 491769632 /nfs/dbraw/zinc/76/96/32/491769632.db2.gz LCPOEQPJOGAMDO-GOEBONIOSA-N 2 1 360.458 0.764 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[NH+]1C1CC1 ZINC000582028224 491795065 /nfs/dbraw/zinc/79/50/65/491795065.db2.gz GINCNLQPHIQTJN-FMKPAKJESA-N 2 1 350.507 0.964 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000582259197 491804587 /nfs/dbraw/zinc/80/45/87/491804587.db2.gz CUSCXICWNBPSRH-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000582259197 491804588 /nfs/dbraw/zinc/80/45/88/491804588.db2.gz CUSCXICWNBPSRH-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000582562497 491818072 /nfs/dbraw/zinc/81/80/72/491818072.db2.gz BVIIKBMYECCFKP-AWEZNQCLSA-N 2 1 373.457 0.092 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000582726989 491824281 /nfs/dbraw/zinc/82/42/81/491824281.db2.gz ZSNLFHMPZSEHDE-RBSFLKMASA-N 2 1 350.463 0.598 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932884 491832949 /nfs/dbraw/zinc/83/29/49/491832949.db2.gz WOZXQXLZACXNKB-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1F ZINC000583198188 491840034 /nfs/dbraw/zinc/84/00/34/491840034.db2.gz OBNPKECOHYMWCZ-FUHWJXTLSA-N 2 1 374.460 0.776 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)c2cccs2)CC1 ZINC000583259626 491841032 /nfs/dbraw/zinc/84/10/32/491841032.db2.gz IVWWGHUSICVUHR-CVEARBPZSA-N 2 1 366.531 0.921 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@@H]1O ZINC000583272719 491841493 /nfs/dbraw/zinc/84/14/93/491841493.db2.gz UFBZYABSGBLLAI-STQMWFEESA-N 2 1 351.357 0.952 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583379825 491843629 /nfs/dbraw/zinc/84/36/29/491843629.db2.gz RXCVTJISWQAPCB-GJZGRUSLSA-N 2 1 353.511 0.698 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1 ZINC000583435527 491844768 /nfs/dbraw/zinc/84/47/68/491844768.db2.gz KHMSWGNWRGOWCQ-QGZVFWFLSA-N 2 1 372.473 0.648 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000583489686 491846015 /nfs/dbraw/zinc/84/60/15/491846015.db2.gz XQZLTGSCIZWPJU-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000583489686 491846016 /nfs/dbraw/zinc/84/60/16/491846016.db2.gz XQZLTGSCIZWPJU-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000583526840 491846856 /nfs/dbraw/zinc/84/68/56/491846856.db2.gz CQZQWEHVUQDWGX-QGZVFWFLSA-N 2 1 360.506 0.967 20 0 FCADMP CC(=O)NCC[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000583526840 491846857 /nfs/dbraw/zinc/84/68/57/491846857.db2.gz CQZQWEHVUQDWGX-QGZVFWFLSA-N 2 1 360.506 0.967 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000583529219 491846899 /nfs/dbraw/zinc/84/68/99/491846899.db2.gz CJADFXPLDFSRNL-HZPDHXFCSA-N 2 1 361.490 0.798 20 0 FCADMP CO[C@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000583628256 491848912 /nfs/dbraw/zinc/84/89/12/491848912.db2.gz VKIRWSKAGKZFQO-MRXNPFEDSA-N 2 1 354.882 0.942 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000583812953 491852559 /nfs/dbraw/zinc/85/25/59/491852559.db2.gz ARLGTWPFBOJPCP-XIRDDKMYSA-N 2 1 360.458 0.226 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000583812953 491852560 /nfs/dbraw/zinc/85/25/60/491852560.db2.gz ARLGTWPFBOJPCP-XIRDDKMYSA-N 2 1 360.458 0.226 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000583881055 491854107 /nfs/dbraw/zinc/85/41/07/491854107.db2.gz QREQHFXKHUQFEM-ZWKOTPCHSA-N 2 1 371.485 0.810 20 0 FCADMP CN1CC[NH+](CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000584002930 491856388 /nfs/dbraw/zinc/85/63/88/491856388.db2.gz PRXMIZQKMDPLBF-QGZVFWFLSA-N 2 1 354.564 0.958 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079036 491858076 /nfs/dbraw/zinc/85/80/76/491858076.db2.gz KYEPDXOWUHIFCU-JYYAWHABSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079036 491858077 /nfs/dbraw/zinc/85/80/77/491858077.db2.gz KYEPDXOWUHIFCU-JYYAWHABSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079036 491858078 /nfs/dbraw/zinc/85/80/78/491858078.db2.gz KYEPDXOWUHIFCU-JYYAWHABSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649019 491865152 /nfs/dbraw/zinc/86/51/52/491865152.db2.gz LYACCWURWLTPRT-KDOFPFPSSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595266487 491909253 /nfs/dbraw/zinc/90/92/53/491909253.db2.gz WYSUCGSMPHZBKX-FZKCQIBNSA-N 2 1 351.495 0.308 20 0 FCADMP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472258 491925044 /nfs/dbraw/zinc/92/50/44/491925044.db2.gz GDGMNBITSRTPDG-HZPDHXFCSA-N 2 1 372.535 0.037 20 0 FCADMP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601472258 491925045 /nfs/dbraw/zinc/92/50/45/491925045.db2.gz GDGMNBITSRTPDG-HZPDHXFCSA-N 2 1 372.535 0.037 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000612540940 491930852 /nfs/dbraw/zinc/93/08/52/491930852.db2.gz AMJKDQTVDOWSFM-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000612540940 491930853 /nfs/dbraw/zinc/93/08/53/491930853.db2.gz AMJKDQTVDOWSFM-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000612546966 491932457 /nfs/dbraw/zinc/93/24/57/491932457.db2.gz XNTZTELPAHETSX-INIZCTEOSA-N 2 1 359.474 0.639 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000612546966 491932458 /nfs/dbraw/zinc/93/24/58/491932458.db2.gz XNTZTELPAHETSX-INIZCTEOSA-N 2 1 359.474 0.639 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000612549467 491933099 /nfs/dbraw/zinc/93/30/99/491933099.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000612549467 491933101 /nfs/dbraw/zinc/93/31/01/491933101.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000612549467 491933103 /nfs/dbraw/zinc/93/31/03/491933103.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000612549467 491933105 /nfs/dbraw/zinc/93/31/05/491933105.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000612549467 491933107 /nfs/dbraw/zinc/93/31/07/491933107.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000612548710 491933177 /nfs/dbraw/zinc/93/31/77/491933177.db2.gz QIEYXWDOWRRFOT-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599630 491937779 /nfs/dbraw/zinc/93/77/79/491937779.db2.gz ZQSMTANEXCCTSS-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)c1cn(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000601962765 491955676 /nfs/dbraw/zinc/95/56/76/491955676.db2.gz APFKEBXLXNQKNR-SFHVURJKSA-N 2 1 359.430 0.291 20 0 FCADMP COC(=O)c1cn(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000601962765 491955678 /nfs/dbraw/zinc/95/56/78/491955678.db2.gz APFKEBXLXNQKNR-SFHVURJKSA-N 2 1 359.430 0.291 20 0 FCADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)NC(=O)NCC(F)(F)F ZINC000595864917 491957421 /nfs/dbraw/zinc/95/74/21/491957421.db2.gz XDKDWQKRYQXXQS-GFCCVEGCSA-N 2 1 366.384 0.296 20 0 FCADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)NC(=O)NCC(F)(F)F ZINC000595864917 491957423 /nfs/dbraw/zinc/95/74/23/491957423.db2.gz XDKDWQKRYQXXQS-GFCCVEGCSA-N 2 1 366.384 0.296 20 0 FCADMP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595977507 491967715 /nfs/dbraw/zinc/96/77/15/491967715.db2.gz LMMCVCQHBAVWAJ-NVXWUHKLSA-N 2 1 374.533 0.960 20 0 FCADMP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595977507 491967717 /nfs/dbraw/zinc/96/77/17/491967717.db2.gz LMMCVCQHBAVWAJ-NVXWUHKLSA-N 2 1 374.533 0.960 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506297 491990359 /nfs/dbraw/zinc/99/03/59/491990359.db2.gz NDSSUZXSMODVMA-VQTJNVASSA-N 2 1 373.545 0.684 20 0 FCADMP COC(=O)c1ncoc1CCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000597229288 492023584 /nfs/dbraw/zinc/02/35/84/492023584.db2.gz ZTHGHXPGKNDNRL-UHFFFAOYSA-N 2 1 366.462 0.878 20 0 FCADMP COC(=O)c1ncoc1CCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000597229288 492023586 /nfs/dbraw/zinc/02/35/86/492023586.db2.gz ZTHGHXPGKNDNRL-UHFFFAOYSA-N 2 1 366.462 0.878 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653347 492066850 /nfs/dbraw/zinc/06/68/50/492066850.db2.gz QIKQOWMZSJPQMM-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604653347 492066852 /nfs/dbraw/zinc/06/68/52/492066852.db2.gz QIKQOWMZSJPQMM-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604653347 492066854 /nfs/dbraw/zinc/06/68/54/492066854.db2.gz QIKQOWMZSJPQMM-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000598253215 492090360 /nfs/dbraw/zinc/09/03/60/492090360.db2.gz IYEGAFTVMHNQCN-HZPDHXFCSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000598253215 492090363 /nfs/dbraw/zinc/09/03/63/492090363.db2.gz IYEGAFTVMHNQCN-HZPDHXFCSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000606684777 492126136 /nfs/dbraw/zinc/12/61/36/492126136.db2.gz MZWJEPJJEYAICL-QGZVFWFLSA-N 2 1 367.538 0.911 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC1=O ZINC000607689504 492149027 /nfs/dbraw/zinc/14/90/27/492149027.db2.gz ATTGOOUIYYTXON-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000607689504 492149028 /nfs/dbraw/zinc/14/90/28/492149028.db2.gz ATTGOOUIYYTXON-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1=O ZINC000607689504 492149030 /nfs/dbraw/zinc/14/90/30/492149030.db2.gz ATTGOOUIYYTXON-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(N3CCCC3=O)CC2)C1=O ZINC000608017649 492162680 /nfs/dbraw/zinc/16/26/80/492162680.db2.gz PDCHJLUTKCGMCM-HNNXBMFYSA-N 2 1 350.463 0.152 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000608328177 492172744 /nfs/dbraw/zinc/17/27/44/492172744.db2.gz AKWAOCKXUNZSEL-UHFFFAOYSA-N 2 1 351.499 0.592 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCn1cncn1 ZINC000608631000 492182645 /nfs/dbraw/zinc/18/26/45/492182645.db2.gz MTACZRHHXDRGHL-MRXNPFEDSA-N 2 1 351.499 0.726 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659867 492233851 /nfs/dbraw/zinc/23/38/51/492233851.db2.gz GKOJIZLMEJYRQF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641744046 492301784 /nfs/dbraw/zinc/30/17/84/492301784.db2.gz QHSBRTBBTUQEHP-SFHVURJKSA-N 2 1 367.538 0.568 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000627458757 492303612 /nfs/dbraw/zinc/30/36/12/492303612.db2.gz OXLGJXHSRMVJAY-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641779915 492304064 /nfs/dbraw/zinc/30/40/64/492304064.db2.gz TVFNVLIUZMIPRZ-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(C)C ZINC000641824976 492310468 /nfs/dbraw/zinc/31/04/68/492310468.db2.gz OYVLXERVQCKSQZ-VXGBXAGGSA-N 2 1 364.412 0.525 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(C)C ZINC000641824976 492310471 /nfs/dbraw/zinc/31/04/71/492310471.db2.gz OYVLXERVQCKSQZ-VXGBXAGGSA-N 2 1 364.412 0.525 20 0 FCADMP O=C(N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485724 492313865 /nfs/dbraw/zinc/31/38/65/492313865.db2.gz WSKHXFMSLKWQME-TZIWHRDSSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000620485724 492313871 /nfs/dbraw/zinc/31/38/71/492313871.db2.gz WSKHXFMSLKWQME-TZIWHRDSSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000620485724 492313875 /nfs/dbraw/zinc/31/38/75/492313875.db2.gz WSKHXFMSLKWQME-TZIWHRDSSA-N 2 1 373.497 0.681 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567280 492314033 /nfs/dbraw/zinc/31/40/33/492314033.db2.gz POLYMPAFKVQRNJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567280 492314036 /nfs/dbraw/zinc/31/40/36/492314036.db2.gz POLYMPAFKVQRNJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567280 492314040 /nfs/dbraw/zinc/31/40/40/492314040.db2.gz POLYMPAFKVQRNJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647567203 492314365 /nfs/dbraw/zinc/31/43/65/492314365.db2.gz NRJMVGHGZZZGBQ-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567203 492314367 /nfs/dbraw/zinc/31/43/67/492314367.db2.gz NRJMVGHGZZZGBQ-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567203 492314370 /nfs/dbraw/zinc/31/43/70/492314370.db2.gz NRJMVGHGZZZGBQ-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567203 492314372 /nfs/dbraw/zinc/31/43/72/492314372.db2.gz NRJMVGHGZZZGBQ-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)ccn2)CC1 ZINC000620484441 492314487 /nfs/dbraw/zinc/31/44/87/492314487.db2.gz LJEGWTZLCCBVGT-SFHVURJKSA-N 2 1 373.501 0.505 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202090 492325702 /nfs/dbraw/zinc/32/57/02/492325702.db2.gz DOVHDKVSJHXZJK-IRXDYDNUSA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202090 492325708 /nfs/dbraw/zinc/32/57/08/492325708.db2.gz DOVHDKVSJHXZJK-IRXDYDNUSA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202090 492325712 /nfs/dbraw/zinc/32/57/12/492325712.db2.gz DOVHDKVSJHXZJK-IRXDYDNUSA-N 2 1 355.527 0.421 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000627501839 492325761 /nfs/dbraw/zinc/32/57/61/492325761.db2.gz ADPHTBCSXWTQRG-RYQLBKOJSA-N 2 1 358.486 0.976 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000627501839 492325764 /nfs/dbraw/zinc/32/57/64/492325764.db2.gz ADPHTBCSXWTQRG-RYQLBKOJSA-N 2 1 358.486 0.976 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202079 492326586 /nfs/dbraw/zinc/32/65/86/492326586.db2.gz BOTFKYLMKAIYNY-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202079 492326589 /nfs/dbraw/zinc/32/65/89/492326589.db2.gz BOTFKYLMKAIYNY-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202079 492326593 /nfs/dbraw/zinc/32/65/93/492326593.db2.gz BOTFKYLMKAIYNY-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202162 492327742 /nfs/dbraw/zinc/32/77/42/492327742.db2.gz HIANDHOJNNOYAI-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202162 492327746 /nfs/dbraw/zinc/32/77/46/492327746.db2.gz HIANDHOJNNOYAI-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202162 492327749 /nfs/dbraw/zinc/32/77/49/492327749.db2.gz HIANDHOJNNOYAI-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642083223 492331825 /nfs/dbraw/zinc/33/18/25/492331825.db2.gz CYASPOWIJFVPTL-HRCADAONSA-N 2 1 360.458 0.743 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642076219 492332207 /nfs/dbraw/zinc/33/22/07/492332207.db2.gz MMKBUVFQBHZUSM-MRXNPFEDSA-N 2 1 366.506 0.396 20 0 FCADMP [NH3+]Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000647607306 492333825 /nfs/dbraw/zinc/33/38/25/492333825.db2.gz HWORVZUVUOWWSP-QGZVFWFLSA-N 2 1 360.458 0.797 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@@H]1c1ccccc1 ZINC000642195271 492340019 /nfs/dbraw/zinc/34/00/19/492340019.db2.gz YAWVUXMUXHJJJG-DKIMLUQUSA-N 2 1 356.470 0.758 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253659 492345137 /nfs/dbraw/zinc/34/51/37/492345137.db2.gz DXZMBLZSBTUDSJ-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253890 492345282 /nfs/dbraw/zinc/34/52/82/492345282.db2.gz OXIHOEKIGVPHMD-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253660 492345732 /nfs/dbraw/zinc/34/57/32/492345732.db2.gz DXZMBLZSBTUDSJ-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000642262598 492346542 /nfs/dbraw/zinc/34/65/42/492346542.db2.gz KABAKNQXPFIGGC-HLLBOEOZSA-N 2 1 362.474 0.198 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654781551 492351002 /nfs/dbraw/zinc/35/10/02/492351002.db2.gz HNPZQXYLFLXQPM-UHFFFAOYSA-N 2 1 350.511 0.543 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654781551 492351005 /nfs/dbraw/zinc/35/10/05/492351005.db2.gz HNPZQXYLFLXQPM-UHFFFAOYSA-N 2 1 350.511 0.543 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642330551 492351769 /nfs/dbraw/zinc/35/17/69/492351769.db2.gz UOUBFWICSSQRTQ-VVLHAWIVSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000642330439 492352327 /nfs/dbraw/zinc/35/23/27/492352327.db2.gz JZGYRIFHHVVPQI-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000642346541 492353339 /nfs/dbraw/zinc/35/33/39/492353339.db2.gz RBVZRGOTEWAEKY-BBWFWOEESA-N 2 1 368.522 0.498 20 0 FCADMP Cn1nc2c(cc1=O)CN(C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634644838 492357776 /nfs/dbraw/zinc/35/77/76/492357776.db2.gz BTSCOFQWPRTHBH-FQEVSTJZSA-N 2 1 354.454 0.775 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC[NH2+]C3CC3)c2)CCO1 ZINC000642427111 492358089 /nfs/dbraw/zinc/35/80/89/492358089.db2.gz SVHUVTABJLTRLE-OAHLLOKOSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC[NH2+]C3CC3)c2)CCO1 ZINC000642427111 492358092 /nfs/dbraw/zinc/35/80/92/492358092.db2.gz SVHUVTABJLTRLE-OAHLLOKOSA-N 2 1 374.485 0.392 20 0 FCADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634722930 492364210 /nfs/dbraw/zinc/36/42/10/492364210.db2.gz XLNYTKICXZGVRG-UXHICEINSA-N 2 1 358.486 0.798 20 0 FCADMP Cn1cc(C[C@@H](CO)C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634722930 492364213 /nfs/dbraw/zinc/36/42/13/492364213.db2.gz XLNYTKICXZGVRG-UXHICEINSA-N 2 1 358.486 0.798 20 0 FCADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634722929 492364361 /nfs/dbraw/zinc/36/43/61/492364361.db2.gz XLNYTKICXZGVRG-PMACEKPBSA-N 2 1 358.486 0.798 20 0 FCADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634722929 492364364 /nfs/dbraw/zinc/36/43/64/492364364.db2.gz XLNYTKICXZGVRG-PMACEKPBSA-N 2 1 358.486 0.798 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647832019 492369127 /nfs/dbraw/zinc/36/91/27/492369127.db2.gz SYLWSELGCQXFCD-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)CCC(F)(F)F ZINC000642680539 492372290 /nfs/dbraw/zinc/37/22/90/492372290.db2.gz WNHKKVWTLLYGFC-CHWSQXEVSA-N 2 1 364.412 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)CCC(F)(F)F ZINC000642680539 492372291 /nfs/dbraw/zinc/37/22/91/492372291.db2.gz WNHKKVWTLLYGFC-CHWSQXEVSA-N 2 1 364.412 0.587 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000642693168 492374587 /nfs/dbraw/zinc/37/45/87/492374587.db2.gz ZCPTXEKLAXXFHY-QAPCUYQASA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000642693168 492374589 /nfs/dbraw/zinc/37/45/89/492374589.db2.gz ZCPTXEKLAXXFHY-QAPCUYQASA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642723177 492380141 /nfs/dbraw/zinc/38/01/41/492380141.db2.gz VAOXCGIVINOPKA-FUHWJXTLSA-N 2 1 356.470 0.371 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642723177 492380145 /nfs/dbraw/zinc/38/01/45/492380145.db2.gz VAOXCGIVINOPKA-FUHWJXTLSA-N 2 1 356.470 0.371 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642732946 492382506 /nfs/dbraw/zinc/38/25/06/492382506.db2.gz IZXGKDAQACFQNP-GOSISDBHSA-N 2 1 358.486 0.809 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732657 492382961 /nfs/dbraw/zinc/38/29/61/492382961.db2.gz HZRGEPVIIIZOEF-QXSJWSMHSA-N 2 1 354.495 0.045 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000654947966 492384020 /nfs/dbraw/zinc/38/40/20/492384020.db2.gz XDHIXLRJUIBUCS-LSDHHAIUSA-N 2 1 362.478 0.516 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c(N2CCCC2)[nH+]1 ZINC000642778991 492389497 /nfs/dbraw/zinc/38/94/97/492389497.db2.gz YCEWHARAONSWHB-MRXNPFEDSA-N 2 1 359.474 0.865 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978727 492390232 /nfs/dbraw/zinc/39/02/32/492390232.db2.gz XIFNJKOSJCWTFE-QZTJIDSGSA-N 2 1 372.517 0.837 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977114 492390577 /nfs/dbraw/zinc/39/05/77/492390577.db2.gz XYRXXKQNNADJPD-DLBZAZTESA-N 2 1 350.507 0.827 20 0 FCADMP O=c1[nH]c(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000647991612 492391384 /nfs/dbraw/zinc/39/13/84/492391384.db2.gz RNSOHPOZGSFESP-UHFFFAOYSA-N 2 1 356.474 0.358 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000642785808 492391565 /nfs/dbraw/zinc/39/15/65/492391565.db2.gz LZLCTXSKOAVNPG-RCCFBDPRSA-N 2 1 362.518 0.968 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785831 492391785 /nfs/dbraw/zinc/39/17/85/492391785.db2.gz MMFGTEQXAUUNSX-GOSISDBHSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1)N1CC[NH2+]CC1 ZINC000647995399 492392567 /nfs/dbraw/zinc/39/25/67/492392567.db2.gz UYNIMGMMACPJCT-SFHVURJKSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1)N1CC[NH2+]CC1 ZINC000647995399 492392572 /nfs/dbraw/zinc/39/25/72/492392572.db2.gz UYNIMGMMACPJCT-SFHVURJKSA-N 2 1 356.470 0.514 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000642798908 492394823 /nfs/dbraw/zinc/39/48/23/492394823.db2.gz RUJFFOVZCHZTFV-XGXHKWSGSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000642802523 492395854 /nfs/dbraw/zinc/39/58/54/492395854.db2.gz MTEOOFQXIQMOBC-LLVKDONJSA-N 2 1 354.401 0.509 20 0 FCADMP CCN1CC[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000655064293 492398235 /nfs/dbraw/zinc/39/82/35/492398235.db2.gz UQYKDFKZTSQHAY-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642906075 492400867 /nfs/dbraw/zinc/40/08/67/492400867.db2.gz ZSXCBLMWUTUEIK-CEXWTWQISA-N 2 1 370.497 0.835 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918551 492404099 /nfs/dbraw/zinc/40/40/99/492404099.db2.gz YMUCOTSDXWANOD-UHFFFAOYSA-N 2 1 373.501 0.135 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000642980614 492410439 /nfs/dbraw/zinc/41/04/39/492410439.db2.gz IMWRGIDTFDICDN-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000642980614 492410443 /nfs/dbraw/zinc/41/04/43/492410443.db2.gz IMWRGIDTFDICDN-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000643014565 492414318 /nfs/dbraw/zinc/41/43/18/492414318.db2.gz FVPVWZQOFYMXKD-YESZJQIVSA-N 2 1 371.485 0.543 20 0 FCADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](O)C3)ccc21 ZINC000627982729 492434666 /nfs/dbraw/zinc/43/46/66/492434666.db2.gz XULKCJAGJLMQRN-WBVHZDCISA-N 2 1 360.458 0.357 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026536 492442645 /nfs/dbraw/zinc/44/26/45/492442645.db2.gz MDKQKNLZXNNEKI-QFBILLFUSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000622029445 492444152 /nfs/dbraw/zinc/44/41/52/492444152.db2.gz GRGWHKAZJOEGAS-VZHLBOQGSA-N 2 1 360.502 0.802 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556287 492456136 /nfs/dbraw/zinc/45/61/36/492456136.db2.gz GTOAAHLPKATSIZ-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556287 492456141 /nfs/dbraw/zinc/45/61/41/492456141.db2.gz GTOAAHLPKATSIZ-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556287 492456147 /nfs/dbraw/zinc/45/61/47/492456147.db2.gz GTOAAHLPKATSIZ-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635571793 492475087 /nfs/dbraw/zinc/47/50/87/492475087.db2.gz CRBGQWZPSMLOEX-WMZOPIPTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635571793 492475090 /nfs/dbraw/zinc/47/50/90/492475090.db2.gz CRBGQWZPSMLOEX-WMZOPIPTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635571793 492475092 /nfs/dbraw/zinc/47/50/92/492475092.db2.gz CRBGQWZPSMLOEX-WMZOPIPTSA-N 2 1 350.507 0.526 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000655744664 492479892 /nfs/dbraw/zinc/47/98/92/492479892.db2.gz RZTKFZMHOHAYEJ-ALKREAHSSA-N 2 1 364.490 0.940 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643494168 492481749 /nfs/dbraw/zinc/48/17/49/492481749.db2.gz NHNJDWONXMFXKY-GDBMZVCRSA-N 2 1 354.495 0.140 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643494348 492481766 /nfs/dbraw/zinc/48/17/66/492481766.db2.gz YPNXYPVFRJBXHI-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000643513308 492486511 /nfs/dbraw/zinc/48/65/11/492486511.db2.gz QLZITAAXTGOLQY-OWCLPIDISA-N 2 1 359.474 0.677 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643513179 492486577 /nfs/dbraw/zinc/48/65/77/492486577.db2.gz BKNXSSIPOMZBMA-HNAYVOBHSA-N 2 1 359.474 0.821 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643513178 492486651 /nfs/dbraw/zinc/48/66/51/492486651.db2.gz BKNXSSIPOMZBMA-DNVCBOLYSA-N 2 1 359.474 0.821 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643531933 492492289 /nfs/dbraw/zinc/49/22/89/492492289.db2.gz ZYBAUCINYZKGAU-FGTMMUONSA-N 2 1 356.470 0.397 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000635703961 492494557 /nfs/dbraw/zinc/49/45/57/492494557.db2.gz PNKHCPMUKIHMJU-LJQANCHMSA-N 2 1 372.513 0.926 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000635703961 492494561 /nfs/dbraw/zinc/49/45/61/492494561.db2.gz PNKHCPMUKIHMJU-LJQANCHMSA-N 2 1 372.513 0.926 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000635703961 492494564 /nfs/dbraw/zinc/49/45/64/492494564.db2.gz PNKHCPMUKIHMJU-LJQANCHMSA-N 2 1 372.513 0.926 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549859 492498128 /nfs/dbraw/zinc/49/81/28/492498128.db2.gz WRWRUWNUNHJHQV-IDCNUPLLSA-N 2 1 360.502 0.672 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[C@@H]2C1 ZINC000643550004 492498173 /nfs/dbraw/zinc/49/81/73/492498173.db2.gz QOCYEYDYTVLERY-VSZNYVQBSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643567603 492499473 /nfs/dbraw/zinc/49/94/73/492499473.db2.gz XOJUIBXNLIDIDM-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643586154 492500554 /nfs/dbraw/zinc/50/05/54/492500554.db2.gz YASHMLAAGAFITC-KBAYOESNSA-N 2 1 358.486 0.915 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000643593365 492502924 /nfs/dbraw/zinc/50/29/24/492502924.db2.gz QYEBMIRXCDDVJN-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000643593649 492503150 /nfs/dbraw/zinc/50/31/50/492503150.db2.gz CAQFCVWAUJNEEE-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649287513 492522486 /nfs/dbraw/zinc/52/24/86/492522486.db2.gz MOSPDJIIPVXSOC-CQSZACIVSA-N 2 1 360.449 0.634 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649287513 492522489 /nfs/dbraw/zinc/52/24/89/492522489.db2.gz MOSPDJIIPVXSOC-CQSZACIVSA-N 2 1 360.449 0.634 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321230 492532387 /nfs/dbraw/zinc/53/23/87/492532387.db2.gz PEZKBWXOJCQEAO-ROUUACIJSA-N 2 1 374.485 0.236 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)cc2)CC1 ZINC000649350233 492544639 /nfs/dbraw/zinc/54/46/39/492544639.db2.gz SIGQVRZPQYOEEQ-KRWDZBQOSA-N 2 1 369.473 0.812 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000649365659 492548413 /nfs/dbraw/zinc/54/84/13/492548413.db2.gz IIZWZKYILXKMLE-YLFCFFPRSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000656300257 492577085 /nfs/dbraw/zinc/57/70/85/492577085.db2.gz MZYRDHDUGZXHCX-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](NC(=O)N1CCC(C)(N2CCOCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000623782789 492594012 /nfs/dbraw/zinc/59/40/12/492594012.db2.gz AQLNIZHAVBHSDT-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354534 492608832 /nfs/dbraw/zinc/60/88/32/492608832.db2.gz GIMVHQXIYKJHDO-SJORKVTESA-N 3 1 367.538 0.071 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656355406 492610649 /nfs/dbraw/zinc/61/06/49/492610649.db2.gz KSSCCSLICIZEHL-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656355406 492610652 /nfs/dbraw/zinc/61/06/52/492610652.db2.gz KSSCCSLICIZEHL-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656355406 492610656 /nfs/dbraw/zinc/61/06/56/492610656.db2.gz KSSCCSLICIZEHL-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000656357794 492611674 /nfs/dbraw/zinc/61/16/74/492611674.db2.gz MBWLIIIEFZTQES-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1C ZINC000656357794 492611677 /nfs/dbraw/zinc/61/16/77/492611677.db2.gz MBWLIIIEFZTQES-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1C ZINC000656357794 492611678 /nfs/dbraw/zinc/61/16/78/492611678.db2.gz MBWLIIIEFZTQES-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1C ZINC000656357794 492611681 /nfs/dbraw/zinc/61/16/81/492611681.db2.gz MBWLIIIEFZTQES-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000629558687 492644229 /nfs/dbraw/zinc/64/42/29/492644229.db2.gz LVGLJRZRPCVITA-KRWDZBQOSA-N 2 1 361.490 0.167 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563483 492645332 /nfs/dbraw/zinc/64/53/32/492645332.db2.gz QXXYBSWZBNPQHO-IHRRRGAJSA-N 2 1 350.429 0.998 20 0 FCADMP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)CCOCC[NH3+])c(C)c1 ZINC000629575890 492653153 /nfs/dbraw/zinc/65/31/53/492653153.db2.gz PQFOPROERRKASP-UHFFFAOYSA-N 2 1 350.463 0.574 20 0 FCADMP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)CCOCC[NH3+])c(C)c1 ZINC000629575890 492653156 /nfs/dbraw/zinc/65/31/56/492653156.db2.gz PQFOPROERRKASP-UHFFFAOYSA-N 2 1 350.463 0.574 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000629577862 492655002 /nfs/dbraw/zinc/65/50/02/492655002.db2.gz KEGNSHQWRGHLCC-UHFFFAOYSA-N 2 1 352.454 0.772 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+](C)CCOCC[NH3+] ZINC000629580050 492656701 /nfs/dbraw/zinc/65/67/01/492656701.db2.gz SFUIUYWAVQAXED-LSDHHAIUSA-N 2 1 351.447 0.580 20 0 FCADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707090 492663798 /nfs/dbraw/zinc/66/37/98/492663798.db2.gz YICJULYDGDLHNG-FHWLQOOXSA-N 2 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707090 492663801 /nfs/dbraw/zinc/66/38/01/492663801.db2.gz YICJULYDGDLHNG-FHWLQOOXSA-N 3 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707090 492663804 /nfs/dbraw/zinc/66/38/04/492663804.db2.gz YICJULYDGDLHNG-FHWLQOOXSA-N 3 1 374.533 0.947 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225748 492673030 /nfs/dbraw/zinc/67/30/30/492673030.db2.gz YESQXDRLJVBIRP-RBUKOAKNSA-N 2 1 370.497 0.835 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H]3[N@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC000644227800 492674372 /nfs/dbraw/zinc/67/43/72/492674372.db2.gz UJPVBCHESYDOQR-KSZLIROESA-N 2 1 373.501 0.551 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629802770 492679839 /nfs/dbraw/zinc/67/98/39/492679839.db2.gz PTGXWFZTNUQZAW-AAEUAGOBSA-N 2 1 364.412 0.525 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878394 492679854 /nfs/dbraw/zinc/67/98/54/492679854.db2.gz RYOSAKQVGLSBTK-KBAYOESNSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878394 492679855 /nfs/dbraw/zinc/67/98/55/492679855.db2.gz RYOSAKQVGLSBTK-KBAYOESNSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878394 492679858 /nfs/dbraw/zinc/67/98/58/492679858.db2.gz RYOSAKQVGLSBTK-KBAYOESNSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@H](C)C1 ZINC000650878394 492679861 /nfs/dbraw/zinc/67/98/61/492679861.db2.gz RYOSAKQVGLSBTK-KBAYOESNSA-N 2 1 368.522 0.584 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753865 492682268 /nfs/dbraw/zinc/68/22/68/492682268.db2.gz ZTYCZFCCQCXYMJ-RTBURBONSA-N 2 1 360.502 0.917 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034261 492696882 /nfs/dbraw/zinc/69/68/82/492696882.db2.gz ZXNUBIMZLMSDKG-ATZDWAIDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034261 492696885 /nfs/dbraw/zinc/69/68/85/492696885.db2.gz ZXNUBIMZLMSDKG-ATZDWAIDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651034261 492696889 /nfs/dbraw/zinc/69/68/89/492696889.db2.gz ZXNUBIMZLMSDKG-ATZDWAIDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651034261 492696891 /nfs/dbraw/zinc/69/68/91/492696891.db2.gz ZXNUBIMZLMSDKG-ATZDWAIDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034262 492697104 /nfs/dbraw/zinc/69/71/04/492697104.db2.gz ZXNUBIMZLMSDKG-IPELMVKDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034262 492697107 /nfs/dbraw/zinc/69/71/07/492697107.db2.gz ZXNUBIMZLMSDKG-IPELMVKDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651034262 492697112 /nfs/dbraw/zinc/69/71/12/492697112.db2.gz ZXNUBIMZLMSDKG-IPELMVKDSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651034262 492697115 /nfs/dbraw/zinc/69/71/15/492697115.db2.gz ZXNUBIMZLMSDKG-IPELMVKDSA-N 2 1 358.486 0.967 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000651168210 492717335 /nfs/dbraw/zinc/71/73/35/492717335.db2.gz NMSBUJVRJREKFY-ZDUSSCGKSA-N 2 1 352.460 0.597 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)CC2 ZINC000651231060 492724859 /nfs/dbraw/zinc/72/48/59/492724859.db2.gz NVJSKDGZEYCIBL-YOEHRIQHSA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)CC2 ZINC000651231060 492724861 /nfs/dbraw/zinc/72/48/61/492724861.db2.gz NVJSKDGZEYCIBL-YOEHRIQHSA-N 2 1 359.474 0.695 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636960851 492738613 /nfs/dbraw/zinc/73/86/13/492738613.db2.gz NLSBLPDEHPVIKE-CRAIPNDOSA-N 2 1 361.490 0.973 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)n1C ZINC000644427060 492748368 /nfs/dbraw/zinc/74/83/68/492748368.db2.gz GJGASHGYVXEJRB-ZNMIVQPWSA-N 2 1 350.467 0.273 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)n1C ZINC000644427060 492748369 /nfs/dbraw/zinc/74/83/69/492748369.db2.gz GJGASHGYVXEJRB-ZNMIVQPWSA-N 2 1 350.467 0.273 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644446523 492756601 /nfs/dbraw/zinc/75/66/01/492756601.db2.gz COUZMJAZEIGEAT-KSZLIROESA-N 2 1 367.538 0.299 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625366875 492763825 /nfs/dbraw/zinc/76/38/25/492763825.db2.gz RKGXUJHSPLYSEN-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000625366875 492763829 /nfs/dbraw/zinc/76/38/29/492763829.db2.gz RKGXUJHSPLYSEN-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000644523620 492781299 /nfs/dbraw/zinc/78/12/99/492781299.db2.gz KSSHRQNPGNUAMJ-SFHVURJKSA-N 2 1 373.501 0.854 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000644523620 492781305 /nfs/dbraw/zinc/78/13/05/492781305.db2.gz KSSHRQNPGNUAMJ-SFHVURJKSA-N 2 1 373.501 0.854 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630879729 492781870 /nfs/dbraw/zinc/78/18/70/492781870.db2.gz MXETWEZUWCUKOB-SFHVURJKSA-N 3 1 364.538 0.933 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644536577 492782697 /nfs/dbraw/zinc/78/26/97/492782697.db2.gz HVTSEXZDTYOSKB-WBVHZDCISA-N 2 1 357.495 0.075 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644536577 492782700 /nfs/dbraw/zinc/78/27/00/492782700.db2.gz HVTSEXZDTYOSKB-WBVHZDCISA-N 2 1 357.495 0.075 20 0 FCADMP Cc1cc(NC(=O)CC[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)no1 ZINC000644557009 492784971 /nfs/dbraw/zinc/78/49/71/492784971.db2.gz UGXGPZWMAJYUJH-UHFFFAOYSA-N 2 1 351.451 0.844 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)[C@]3(O)CCCOC3)cn2)CC1 ZINC000657767300 492792920 /nfs/dbraw/zinc/79/29/20/492792920.db2.gz YXSZNEUZUHPBRR-IBGZPJMESA-N 2 1 363.506 0.886 20 0 FCADMP Cn1nccc1[C@H]1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC(=O)N1C1CC1 ZINC000644644176 492794734 /nfs/dbraw/zinc/79/47/34/492794734.db2.gz KMLBUABLTMIHHX-GPMSIDNRSA-N 2 1 361.490 0.659 20 0 FCADMP Cn1nccc1[C@H]1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC(=O)N1C1CC1 ZINC000644644176 492794739 /nfs/dbraw/zinc/79/47/39/492794739.db2.gz KMLBUABLTMIHHX-GPMSIDNRSA-N 2 1 361.490 0.659 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625516614 492806779 /nfs/dbraw/zinc/80/67/79/492806779.db2.gz CZVZMAARWHGVOW-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625516614 492806783 /nfs/dbraw/zinc/80/67/83/492806783.db2.gz CZVZMAARWHGVOW-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625516614 492806788 /nfs/dbraw/zinc/80/67/88/492806788.db2.gz CZVZMAARWHGVOW-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625516614 492806791 /nfs/dbraw/zinc/80/67/91/492806791.db2.gz CZVZMAARWHGVOW-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C2CC2)C1 ZINC000651715806 492811519 /nfs/dbraw/zinc/81/15/19/492811519.db2.gz OULZYSCMBVHNAQ-AWEZNQCLSA-N 2 1 362.478 0.326 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000637376498 492816720 /nfs/dbraw/zinc/81/67/20/492816720.db2.gz KWGWREWOSDOMSA-SJORKVTESA-N 2 1 365.522 0.986 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000631794987 492854090 /nfs/dbraw/zinc/85/40/90/492854090.db2.gz CKWMJJNECSIYLM-HNNXBMFYSA-N 2 1 374.576 0.908 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000631809998 492857045 /nfs/dbraw/zinc/85/70/45/492857045.db2.gz PJAMTLFKVBYHMR-LJQANCHMSA-N 2 1 371.485 0.594 20 0 FCADMP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000631826006 492858656 /nfs/dbraw/zinc/85/86/56/492858656.db2.gz BCEJBDFKDDTGAA-UHFFFAOYSA-N 2 1 374.551 0.368 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000631847010 492862352 /nfs/dbraw/zinc/86/23/52/492862352.db2.gz MKJSMOBAUPYUPJ-ABRWGSHYSA-N 2 1 358.490 0.925 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000631847010 492862355 /nfs/dbraw/zinc/86/23/55/492862355.db2.gz MKJSMOBAUPYUPJ-ABRWGSHYSA-N 2 1 358.490 0.925 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)COC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000645182817 492876577 /nfs/dbraw/zinc/87/65/77/492876577.db2.gz NGGXTDKYRCQQFJ-INIZCTEOSA-N 2 1 366.531 0.921 20 0 FCADMP CCO[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652128648 492884169 /nfs/dbraw/zinc/88/41/69/492884169.db2.gz FZNHAVRGJAUCSK-IAGOWNOFSA-N 2 1 355.527 0.409 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652144801 492886269 /nfs/dbraw/zinc/88/62/69/492886269.db2.gz UBSJXBDYSXOFSV-BXWFABGCSA-N 2 1 365.522 0.700 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000652151141 492888162 /nfs/dbraw/zinc/88/81/62/492888162.db2.gz KFJHAZRSXWCWKV-ARFHVFGLSA-N 2 1 356.536 0.963 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCC[N@H+]3CCCOCC3)C2)C1 ZINC000652195562 492894537 /nfs/dbraw/zinc/89/45/37/492894537.db2.gz YFEAGLCUPALTOP-BBWFWOEESA-N 2 1 354.495 0.637 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC000631975482 492902060 /nfs/dbraw/zinc/90/20/60/492902060.db2.gz GJIDZUGOJVMKRB-QGZVFWFLSA-N 2 1 358.552 0.514 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000632022244 492912399 /nfs/dbraw/zinc/91/23/99/492912399.db2.gz DDPXEDBTDMWLMC-GOSISDBHSA-N 2 1 367.515 0.637 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000632022244 492912402 /nfs/dbraw/zinc/91/24/02/492912402.db2.gz DDPXEDBTDMWLMC-GOSISDBHSA-N 2 1 367.515 0.637 20 0 FCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652348861 492913109 /nfs/dbraw/zinc/91/31/09/492913109.db2.gz UFZOGYWJDVBASS-TWMKSMIVSA-N 2 1 359.536 0.876 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346792 492913742 /nfs/dbraw/zinc/91/37/42/492913742.db2.gz IKRDLFRARFKOBB-HRCADAONSA-N 2 1 354.495 0.189 20 0 FCADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638216139 492923319 /nfs/dbraw/zinc/92/33/19/492923319.db2.gz WMNKQVNBGGWPHD-KRWDZBQOSA-N 2 1 350.463 0.539 20 0 FCADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638216139 492923322 /nfs/dbraw/zinc/92/33/22/492923322.db2.gz WMNKQVNBGGWPHD-KRWDZBQOSA-N 2 1 350.463 0.539 20 0 FCADMP Cc1cc(N2CCC(NS(=O)(=O)CCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000632075653 492923911 /nfs/dbraw/zinc/92/39/11/492923911.db2.gz VZGFXUYEMHBVIL-UHFFFAOYSA-N 2 1 355.508 0.933 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000632112069 492932378 /nfs/dbraw/zinc/93/23/78/492932378.db2.gz MJUNZWANPNSURS-DLBZAZTESA-N 2 1 358.552 0.370 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638347127 492938003 /nfs/dbraw/zinc/93/80/03/492938003.db2.gz LMYVVXFHJWIWRC-HKUYNNGSSA-N 2 1 360.502 0.863 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638348399 492938236 /nfs/dbraw/zinc/93/82/36/492938236.db2.gz JRPIVOMNCPBUIQ-HZPDHXFCSA-N 2 1 374.489 0.753 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000652457351 492938921 /nfs/dbraw/zinc/93/89/21/492938921.db2.gz GNXDUBTWOFNHGE-UHFFFAOYSA-N 2 1 366.506 0.254 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000632149448 492939370 /nfs/dbraw/zinc/93/93/70/492939370.db2.gz WALTWGZIKJEYJD-MSOLQXFVSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000632149448 492939372 /nfs/dbraw/zinc/93/93/72/492939372.db2.gz WALTWGZIKJEYJD-MSOLQXFVSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000632149451 492939532 /nfs/dbraw/zinc/93/95/32/492939532.db2.gz WALTWGZIKJEYJD-ZWKOTPCHSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000632149451 492939533 /nfs/dbraw/zinc/93/95/33/492939533.db2.gz WALTWGZIKJEYJD-ZWKOTPCHSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000632149450 492939947 /nfs/dbraw/zinc/93/99/47/492939947.db2.gz WALTWGZIKJEYJD-ROUUACIJSA-N 2 1 369.531 0.741 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000632149450 492939950 /nfs/dbraw/zinc/93/99/50/492939950.db2.gz WALTWGZIKJEYJD-ROUUACIJSA-N 2 1 369.531 0.741 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000652471372 492943183 /nfs/dbraw/zinc/94/31/83/492943183.db2.gz CRTYYKZLJVGJBQ-QGZVFWFLSA-N 2 1 366.506 0.111 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000638490856 492956140 /nfs/dbraw/zinc/95/61/40/492956140.db2.gz BCMNUFBFEKRIDD-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638754738 492976601 /nfs/dbraw/zinc/97/66/01/492976601.db2.gz DLARFJNOBSOLPC-AEFFLSMTSA-N 2 1 354.458 0.951 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836001 492981133 /nfs/dbraw/zinc/98/11/33/492981133.db2.gz PPMHQOKZLIDERA-SUMDDJOVSA-N 2 1 360.502 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000638834005 492981169 /nfs/dbraw/zinc/98/11/69/492981169.db2.gz CBCJXVPIINEKRT-PVAVHDDUSA-N 2 1 367.515 0.633 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCCO1 ZINC000652669159 492983347 /nfs/dbraw/zinc/98/33/47/492983347.db2.gz XORIZTYUKZUHMQ-HNNXBMFYSA-N 2 1 354.495 0.191 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638902162 492985464 /nfs/dbraw/zinc/98/54/64/492985464.db2.gz BVBJXRJTXLVVNW-FSDCSDTHSA-N 2 1 364.494 0.644 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638902162 492985467 /nfs/dbraw/zinc/98/54/67/492985467.db2.gz BVBJXRJTXLVVNW-FSDCSDTHSA-N 2 1 364.494 0.644 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652676905 492985655 /nfs/dbraw/zinc/98/56/55/492985655.db2.gz KFVKYVWMHOWZMO-KRWDZBQOSA-N 2 1 352.523 0.977 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000632375573 492986462 /nfs/dbraw/zinc/98/64/62/492986462.db2.gz WTNSWKHARXGOHR-LJQANCHMSA-N 2 1 371.485 0.941 20 0 FCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925772 492988392 /nfs/dbraw/zinc/98/83/92/492988392.db2.gz QAAKHGUFRLLHCX-CRAIPNDOSA-N 2 1 373.501 0.833 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000638949718 492988874 /nfs/dbraw/zinc/98/88/74/492988874.db2.gz IRRBDPPOZLCGII-BRWVUGGUSA-N 2 1 366.506 0.333 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652694538 492993030 /nfs/dbraw/zinc/99/30/30/492993030.db2.gz AFCBZIFIKORESE-GOSISDBHSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652694538 492993035 /nfs/dbraw/zinc/99/30/35/492993035.db2.gz AFCBZIFIKORESE-GOSISDBHSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652698053 492993969 /nfs/dbraw/zinc/99/39/69/492993969.db2.gz UIQSLFCOEHIPKS-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652698053 492993974 /nfs/dbraw/zinc/99/39/74/492993974.db2.gz UIQSLFCOEHIPKS-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701988 492994556 /nfs/dbraw/zinc/99/45/56/492994556.db2.gz MWFWXDHRCQKGNH-NXHRZFHOSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701988 492994557 /nfs/dbraw/zinc/99/45/57/492994557.db2.gz MWFWXDHRCQKGNH-NXHRZFHOSA-N 2 1 358.486 0.628 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009473 492999869 /nfs/dbraw/zinc/99/98/69/492999869.db2.gz MDSDRMPXTDVPRX-CTNGQTDRSA-N 2 1 372.513 0.440 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000652724405 493004320 /nfs/dbraw/zinc/00/43/20/493004320.db2.gz AMBMXXDFNBBOGO-FUHWJXTLSA-N 2 1 362.518 0.968 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000652725334 493005175 /nfs/dbraw/zinc/00/51/75/493005175.db2.gz DUPBQWOOJGATJH-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000652725334 493005180 /nfs/dbraw/zinc/00/51/80/493005180.db2.gz DUPBQWOOJGATJH-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652733947 493011454 /nfs/dbraw/zinc/01/14/54/493011454.db2.gz VDPAMBOAJIFWIF-LUKYLMHMSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736364 493012011 /nfs/dbraw/zinc/01/20/11/493012011.db2.gz FALKEHKITUNXCK-GUDVDZBRSA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736364 493012017 /nfs/dbraw/zinc/01/20/17/493012017.db2.gz FALKEHKITUNXCK-GUDVDZBRSA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736938 493013045 /nfs/dbraw/zinc/01/30/45/493013045.db2.gz UJZVDPFLBZQPRO-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736938 493013052 /nfs/dbraw/zinc/01/30/52/493013052.db2.gz UJZVDPFLBZQPRO-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639681897 493030597 /nfs/dbraw/zinc/03/05/97/493030597.db2.gz HORSIBZSQBKWGN-INIZCTEOSA-N 2 1 359.474 0.673 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626947980 493069137 /nfs/dbraw/zinc/06/91/37/493069137.db2.gz LKPXBSKBHSEPAA-DLTWYDFYSA-N 2 1 363.510 0.978 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000626958060 493070267 /nfs/dbraw/zinc/07/02/67/493070267.db2.gz BXBXDQSOWRKSOX-UHFFFAOYSA-N 2 1 364.494 0.210 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124586 493074818 /nfs/dbraw/zinc/07/48/18/493074818.db2.gz AXPHBGPZOLLMDQ-FPOVZHCZSA-N 2 1 372.513 0.676 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627019902 493082243 /nfs/dbraw/zinc/08/22/43/493082243.db2.gz UPGNXSXZJRPEGA-IRXDYDNUSA-N 2 1 364.515 0.892 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627019902 493082246 /nfs/dbraw/zinc/08/22/46/493082246.db2.gz UPGNXSXZJRPEGA-IRXDYDNUSA-N 2 1 364.515 0.892 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194661 493082599 /nfs/dbraw/zinc/08/25/99/493082599.db2.gz SAYFUSSZMFOUEO-BOSXTWCSSA-N 2 1 362.518 0.907 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[C@@H]1C(F)(F)F ZINC000627044513 493084602 /nfs/dbraw/zinc/08/46/02/493084602.db2.gz NEJGPHAWGLEIBI-STQMWFEESA-N 2 1 352.401 0.877 20 0 FCADMP C[C@H](CNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111842 493088921 /nfs/dbraw/zinc/08/89/21/493088921.db2.gz WETCXGRZDJHXFF-HGTKMLMNSA-N 2 1 365.482 0.109 20 0 FCADMP C[C@H](CNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111842 493088923 /nfs/dbraw/zinc/08/89/23/493088923.db2.gz WETCXGRZDJHXFF-HGTKMLMNSA-N 2 1 365.482 0.109 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000633037242 493107528 /nfs/dbraw/zinc/10/75/28/493107528.db2.gz LOHIAVZIRDXFGI-SQWLQELKSA-N 2 1 360.458 0.966 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259098 493120788 /nfs/dbraw/zinc/12/07/88/493120788.db2.gz MZCGTTNWSHNCGR-IRXDYDNUSA-N 2 1 351.491 0.689 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259660 493122064 /nfs/dbraw/zinc/12/20/64/493122064.db2.gz XHBHHQHJWCPJRE-PMACEKPBSA-N 2 1 372.513 0.715 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633099454 493125367 /nfs/dbraw/zinc/12/53/67/493125367.db2.gz BKWFLGBDGPHBCQ-FHWLQOOXSA-N 2 1 370.497 0.930 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000659027263 493127161 /nfs/dbraw/zinc/12/71/61/493127161.db2.gz CWXDKJZLBOCBCT-UHFFFAOYSA-N 2 1 359.474 0.673 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633110688 493130753 /nfs/dbraw/zinc/13/07/53/493130753.db2.gz JYBUIPPUBSTQKT-KSZLIROESA-N 2 1 356.470 0.335 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000646974536 493137600 /nfs/dbraw/zinc/13/76/00/493137600.db2.gz RMOSQMBHVUOKBQ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000646974536 493137603 /nfs/dbraw/zinc/13/76/03/493137603.db2.gz RMOSQMBHVUOKBQ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000646974536 493137609 /nfs/dbraw/zinc/13/76/09/493137609.db2.gz RMOSQMBHVUOKBQ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cc(CCC[NH3+])nn2)CC1 ZINC000640878383 493145276 /nfs/dbraw/zinc/14/52/76/493145276.db2.gz WNZLCQHOTNSTBA-UHFFFAOYSA-N 2 1 356.474 0.822 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nc1 ZINC000647034990 493150276 /nfs/dbraw/zinc/15/02/76/493150276.db2.gz NQHZRTWFSABRIE-MRXNPFEDSA-N 2 1 359.474 0.291 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nc1 ZINC000647034990 493150280 /nfs/dbraw/zinc/15/02/80/493150280.db2.gz NQHZRTWFSABRIE-MRXNPFEDSA-N 2 1 359.474 0.291 20 0 FCADMP [NH3+]CCOCc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952842 493153368 /nfs/dbraw/zinc/15/33/68/493153368.db2.gz GCBIUBBCQSGKGK-UHFFFAOYSA-N 2 1 358.446 0.098 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000627339368 493161407 /nfs/dbraw/zinc/16/14/07/493161407.db2.gz GMUKDLAKHKPPSR-ZDUSSCGKSA-N 2 1 368.503 0.045 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2sccc2C1 ZINC000627339368 493161410 /nfs/dbraw/zinc/16/14/10/493161410.db2.gz GMUKDLAKHKPPSR-ZDUSSCGKSA-N 2 1 368.503 0.045 20 0 FCADMP Cn1cc(N2CCC[C@H](n3cc(CC[NH+]4CCC([NH3+])CC4)nn3)C2=O)cn1 ZINC000641054491 493164759 /nfs/dbraw/zinc/16/47/59/493164759.db2.gz JDYSDMGJUAIAOZ-KRWDZBQOSA-N 2 1 372.477 0.345 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627365079 493180530 /nfs/dbraw/zinc/18/05/30/493180530.db2.gz FFQWCWVMALPWID-AAEUAGOBSA-N 2 1 364.412 0.573 20 0 FCADMP COCC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641221768 493183494 /nfs/dbraw/zinc/18/34/94/493183494.db2.gz HZWKXLPVUPVUIO-HKUYNNGSSA-N 2 1 359.474 0.994 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641221768 493183502 /nfs/dbraw/zinc/18/35/02/493183502.db2.gz HZWKXLPVUPVUIO-HKUYNNGSSA-N 2 1 359.474 0.994 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481070 493191809 /nfs/dbraw/zinc/19/18/09/493191809.db2.gz FEAPJBMMLWSTJX-CZUORRHYSA-N 2 1 370.457 0.961 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000672655659 493228717 /nfs/dbraw/zinc/22/87/17/493228717.db2.gz XZTVNGFSCACKSG-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000672655659 493228719 /nfs/dbraw/zinc/22/87/19/493228719.db2.gz XZTVNGFSCACKSG-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672690922 493233729 /nfs/dbraw/zinc/23/37/29/493233729.db2.gz KAZOPQMSLDIRTE-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000672695132 493234291 /nfs/dbraw/zinc/23/42/91/493234291.db2.gz JKYVLQUKEFIAOL-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000672698996 493236184 /nfs/dbraw/zinc/23/61/84/493236184.db2.gz VPWRMEZDFPRBJU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000672698996 493236187 /nfs/dbraw/zinc/23/61/87/493236187.db2.gz VPWRMEZDFPRBJU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000672700074 493236703 /nfs/dbraw/zinc/23/67/03/493236703.db2.gz YMYHOKLWABXOTK-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978218 493245580 /nfs/dbraw/zinc/24/55/80/493245580.db2.gz UQQLUOHMTDNCPL-IAGOWNOFSA-N 2 1 354.495 0.386 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659687766 493253646 /nfs/dbraw/zinc/25/36/46/493253646.db2.gz MLGPEKRDCDNNQL-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659695573 493257700 /nfs/dbraw/zinc/25/77/00/493257700.db2.gz AXHYNTBDSXHYHV-GOEBONIOSA-N 2 1 364.515 0.444 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659695573 493257702 /nfs/dbraw/zinc/25/77/02/493257702.db2.gz AXHYNTBDSXHYHV-GOEBONIOSA-N 2 1 364.515 0.444 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000667180612 493264284 /nfs/dbraw/zinc/26/42/84/493264284.db2.gz YVPLJOTZQJJCRW-UHFFFAOYSA-N 2 1 359.474 0.829 20 0 FCADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731214 493277576 /nfs/dbraw/zinc/27/75/76/493277576.db2.gz SVPCACGSMTURBT-LHHMISFZSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731214 493277579 /nfs/dbraw/zinc/27/75/79/493277579.db2.gz SVPCACGSMTURBT-LHHMISFZSA-N 2 1 358.486 0.974 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC000659734610 493278431 /nfs/dbraw/zinc/27/84/31/493278431.db2.gz AADBFFVTLDWPNL-DOTOQJQBSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659735348 493278500 /nfs/dbraw/zinc/27/85/00/493278500.db2.gz RYVSJNDSUOWXJF-INIZCTEOSA-N 2 1 365.522 0.001 20 0 FCADMP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659735348 493278504 /nfs/dbraw/zinc/27/85/04/493278504.db2.gz RYVSJNDSUOWXJF-INIZCTEOSA-N 2 1 365.522 0.001 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000659738843 493279887 /nfs/dbraw/zinc/27/98/87/493279887.db2.gz IYHGEMYFOPXJLM-IXDOHACOSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)CCCO1 ZINC000673044039 493283955 /nfs/dbraw/zinc/28/39/55/493283955.db2.gz WHBYGZBUJVWLDW-MRXNPFEDSA-N 2 1 356.511 0.585 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCCO1 ZINC000673044039 493283957 /nfs/dbraw/zinc/28/39/57/493283957.db2.gz WHBYGZBUJVWLDW-MRXNPFEDSA-N 2 1 356.511 0.585 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCCO1 ZINC000673044039 493283960 /nfs/dbraw/zinc/28/39/60/493283960.db2.gz WHBYGZBUJVWLDW-MRXNPFEDSA-N 2 1 356.511 0.585 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673129389 493293553 /nfs/dbraw/zinc/29/35/53/493293553.db2.gz ABYWMBGWFKXNMQ-UHFFFAOYSA-N 2 1 370.457 0.832 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000659911490 493302156 /nfs/dbraw/zinc/30/21/56/493302156.db2.gz HCROUSHBFMPDOY-IBGZPJMESA-N 2 1 368.566 0.954 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000659911490 493302158 /nfs/dbraw/zinc/30/21/58/493302158.db2.gz HCROUSHBFMPDOY-IBGZPJMESA-N 2 1 368.566 0.954 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673337087 493318784 /nfs/dbraw/zinc/31/87/84/493318784.db2.gz WKXMYKOMTXERQS-KRWDZBQOSA-N 2 1 368.522 0.405 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000660145483 493330253 /nfs/dbraw/zinc/33/02/53/493330253.db2.gz SHCZFTBFIQKCOW-UHFFFAOYSA-N 2 1 354.520 0.664 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000668511042 493367820 /nfs/dbraw/zinc/36/78/20/493367820.db2.gz CFYNUCBACRPKMW-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000668511042 493367823 /nfs/dbraw/zinc/36/78/23/493367823.db2.gz CFYNUCBACRPKMW-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000668511042 493367826 /nfs/dbraw/zinc/36/78/26/493367826.db2.gz CFYNUCBACRPKMW-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000660637876 493369095 /nfs/dbraw/zinc/36/90/95/493369095.db2.gz HHLLBSFMCYUVEI-LJQANCHMSA-N 2 1 374.533 0.839 20 0 FCADMP CN1CCN(C)[C@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660637876 493369096 /nfs/dbraw/zinc/36/90/96/493369096.db2.gz HHLLBSFMCYUVEI-LJQANCHMSA-N 2 1 374.533 0.839 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660655259 493370404 /nfs/dbraw/zinc/37/04/04/493370404.db2.gz WDOFGLFNKWPBGZ-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000683872986 493375738 /nfs/dbraw/zinc/37/57/38/493375738.db2.gz IVAQLYRXUVMPLR-UHFFFAOYSA-N 2 1 362.478 0.643 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668557005 493375786 /nfs/dbraw/zinc/37/57/86/493375786.db2.gz DMAMJIKLXLXSPL-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668557005 493375789 /nfs/dbraw/zinc/37/57/89/493375789.db2.gz DMAMJIKLXLXSPL-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668557005 493375792 /nfs/dbraw/zinc/37/57/92/493375792.db2.gz DMAMJIKLXLXSPL-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1CN(C/C=C/CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000660726591 493375969 /nfs/dbraw/zinc/37/59/69/493375969.db2.gz XEXAALJKEFGWHM-MCBGNAOOSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000660850840 493385780 /nfs/dbraw/zinc/38/57/80/493385780.db2.gz YYJVWFQVMFVBRA-DOTOQJQBSA-N 2 1 354.495 0.507 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000660850842 493386057 /nfs/dbraw/zinc/38/60/57/493386057.db2.gz YYJVWFQVMFVBRA-RDJZCZTQSA-N 2 1 354.495 0.507 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036562 493404030 /nfs/dbraw/zinc/40/40/30/493404030.db2.gz JZXWIHTYISDKMN-WMZOPIPTSA-N 2 1 367.538 0.565 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1C ZINC000668866529 493424872 /nfs/dbraw/zinc/42/48/72/493424872.db2.gz CPIJQTKJIWHTKI-GFCCVEGCSA-N 2 1 350.467 0.091 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1C ZINC000668866529 493424873 /nfs/dbraw/zinc/42/48/73/493424873.db2.gz CPIJQTKJIWHTKI-GFCCVEGCSA-N 2 1 350.467 0.091 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000668893140 493430428 /nfs/dbraw/zinc/43/04/28/493430428.db2.gz MXUWFYXJAVRRCG-PBHICJAKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596720 493449634 /nfs/dbraw/zinc/44/96/34/493449634.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596720 493449637 /nfs/dbraw/zinc/44/96/37/493449637.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596720 493449640 /nfs/dbraw/zinc/44/96/40/493449640.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 2 1 362.518 0.824 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669063162 493460044 /nfs/dbraw/zinc/46/00/44/493460044.db2.gz ULQIUWJSYWRLOP-DLBZAZTESA-N 2 1 373.505 0.382 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000685276925 493471871 /nfs/dbraw/zinc/47/18/71/493471871.db2.gz DKWGIWOYTTVJRB-GJZGRUSLSA-N 2 1 357.458 0.472 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000675190044 493472720 /nfs/dbraw/zinc/47/27/20/493472720.db2.gz GYQYHBIAUNFKBF-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000685310747 493474709 /nfs/dbraw/zinc/47/47/09/493474709.db2.gz IETOVUPLGULMDG-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000685310747 493474712 /nfs/dbraw/zinc/47/47/12/493474712.db2.gz IETOVUPLGULMDG-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000685310747 493474715 /nfs/dbraw/zinc/47/47/15/493474715.db2.gz IETOVUPLGULMDG-INMHGKMJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336617 493477782 /nfs/dbraw/zinc/47/77/82/493477782.db2.gz IJQBNPXJJLIASJ-GOEBONIOSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336617 493477783 /nfs/dbraw/zinc/47/77/83/493477783.db2.gz IJQBNPXJJLIASJ-GOEBONIOSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685338269 493478111 /nfs/dbraw/zinc/47/81/11/493478111.db2.gz BJSHRXBHMIHTMH-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685338269 493478113 /nfs/dbraw/zinc/47/81/13/493478113.db2.gz BJSHRXBHMIHTMH-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685338269 493478114 /nfs/dbraw/zinc/47/81/14/493478114.db2.gz BJSHRXBHMIHTMH-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685338269 493478116 /nfs/dbraw/zinc/47/81/16/493478116.db2.gz BJSHRXBHMIHTMH-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340314 493480832 /nfs/dbraw/zinc/48/08/32/493480832.db2.gz QDKBXRCFHOYGHC-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340314 493480837 /nfs/dbraw/zinc/48/08/37/493480837.db2.gz QDKBXRCFHOYGHC-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000685341468 493480918 /nfs/dbraw/zinc/48/09/18/493480918.db2.gz DITIDUQBDOPHJT-SOUVJXGZSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000685341468 493480920 /nfs/dbraw/zinc/48/09/20/493480920.db2.gz DITIDUQBDOPHJT-SOUVJXGZSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000685341468 493480921 /nfs/dbraw/zinc/48/09/21/493480921.db2.gz DITIDUQBDOPHJT-SOUVJXGZSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341468 493480923 /nfs/dbraw/zinc/48/09/23/493480923.db2.gz DITIDUQBDOPHJT-SOUVJXGZSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000685343311 493482545 /nfs/dbraw/zinc/48/25/45/493482545.db2.gz LXBBVKBEXPDIRV-GOEBONIOSA-N 2 1 366.462 0.005 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343311 493482547 /nfs/dbraw/zinc/48/25/47/493482547.db2.gz LXBBVKBEXPDIRV-GOEBONIOSA-N 2 1 366.462 0.005 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685343245 493482731 /nfs/dbraw/zinc/48/27/31/493482731.db2.gz LJFRFILUNPAXKJ-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343245 493482734 /nfs/dbraw/zinc/48/27/34/493482734.db2.gz LJFRFILUNPAXKJ-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000685444532 493493130 /nfs/dbraw/zinc/49/31/30/493493130.db2.gz FKVFXYAFKRDLAA-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000685444532 493493133 /nfs/dbraw/zinc/49/31/33/493493133.db2.gz FKVFXYAFKRDLAA-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000685444532 493493136 /nfs/dbraw/zinc/49/31/36/493493136.db2.gz FKVFXYAFKRDLAA-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000685444532 493493139 /nfs/dbraw/zinc/49/31/39/493493139.db2.gz FKVFXYAFKRDLAA-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP CC1CCC(NC(=O)CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662262916 493501241 /nfs/dbraw/zinc/50/12/41/493501241.db2.gz YBYPHIOSLOSQTC-ABHNRTSZSA-N 2 1 364.534 0.820 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662262001 493501985 /nfs/dbraw/zinc/50/19/85/493501985.db2.gz RIICISXRCHTRON-SFHVURJKSA-N 3 1 364.534 0.774 20 0 FCADMP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420520 493503086 /nfs/dbraw/zinc/50/30/86/493503086.db2.gz NZUBJCHTQDIKRE-GOSISDBHSA-N 2 1 373.501 0.630 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CNC2(CO)CC[NH2+]CC2)CC1 ZINC000662287225 493503273 /nfs/dbraw/zinc/50/32/73/493503273.db2.gz VMLAVLAABAJQMI-UHFFFAOYSA-N 2 1 360.502 0.343 20 0 FCADMP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)[NH3+] ZINC000662298522 493504350 /nfs/dbraw/zinc/50/43/50/493504350.db2.gz ZUBLKFVLBXWDCF-UHFFFAOYSA-N 2 1 356.492 0.052 20 0 FCADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)[NH3+] ZINC000662298522 493504352 /nfs/dbraw/zinc/50/43/52/493504352.db2.gz ZUBLKFVLBXWDCF-UHFFFAOYSA-N 2 1 356.492 0.052 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000685595110 493504486 /nfs/dbraw/zinc/50/44/86/493504486.db2.gz FUMHGMUHVBRMOT-MSOLQXFVSA-N 2 1 369.531 0.883 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000685595110 493504488 /nfs/dbraw/zinc/50/44/88/493504488.db2.gz FUMHGMUHVBRMOT-MSOLQXFVSA-N 2 1 369.531 0.883 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH3+] ZINC000662313835 493505822 /nfs/dbraw/zinc/50/58/22/493505822.db2.gz NVJUJZDEOQUIAS-HUUCEWRRSA-N 2 1 362.540 0.224 20 0 FCADMP [NH3+]CCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nn1 ZINC000662397148 493512576 /nfs/dbraw/zinc/51/25/76/493512576.db2.gz XCKFFBYTUONTIO-UHFFFAOYSA-N 2 1 364.400 0.909 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@@H+]1CCOC ZINC000662463592 493518213 /nfs/dbraw/zinc/51/82/13/493518213.db2.gz BDBSCJQIGGTVFJ-GJZGRUSLSA-N 2 1 350.467 0.304 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@H+]1CCOC ZINC000662463592 493518215 /nfs/dbraw/zinc/51/82/15/493518215.db2.gz BDBSCJQIGGTVFJ-GJZGRUSLSA-N 2 1 350.467 0.304 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662521385 493523748 /nfs/dbraw/zinc/52/37/48/493523748.db2.gz LMHAQMBUBUJZFK-UHFFFAOYSA-N 2 1 350.467 0.385 20 0 FCADMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000676221994 493531383 /nfs/dbraw/zinc/53/13/83/493531383.db2.gz LCLWGSCLDGGEBJ-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nnn1[C@@H]1CC[NH2+]C1 ZINC000662705015 493533475 /nfs/dbraw/zinc/53/34/75/493533475.db2.gz LJCZAHVFOHUSIC-BZUAXINKSA-N 2 1 374.489 0.494 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000662723318 493534979 /nfs/dbraw/zinc/53/49/79/493534979.db2.gz KRPWIXKMRWVOHG-JKSUJKDBSA-N 2 1 364.494 0.776 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000662723318 493534982 /nfs/dbraw/zinc/53/49/82/493534982.db2.gz KRPWIXKMRWVOHG-JKSUJKDBSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250209 493535260 /nfs/dbraw/zinc/53/52/60/493535260.db2.gz FLJRQNIUUZQIEC-ORQFMDKSSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250209 493535262 /nfs/dbraw/zinc/53/52/62/493535262.db2.gz FLJRQNIUUZQIEC-ORQFMDKSSA-N 2 1 354.495 0.383 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC000662733751 493535832 /nfs/dbraw/zinc/53/58/32/493535832.db2.gz MOBVBZKULWLGDX-KRWDZBQOSA-N 2 1 358.486 0.469 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000662754710 493538613 /nfs/dbraw/zinc/53/86/13/493538613.db2.gz UNCADELPOGFBLT-RBSFLKMASA-N 2 1 352.504 0.517 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758772 493540232 /nfs/dbraw/zinc/54/02/32/493540232.db2.gz STNOOUOERUUURG-UKRRQHHQSA-N 2 1 350.429 0.918 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC000662780763 493541636 /nfs/dbraw/zinc/54/16/36/493541636.db2.gz RQMOGCVKXFACCH-YZGWKJHDSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC000662780763 493541637 /nfs/dbraw/zinc/54/16/37/493541637.db2.gz RQMOGCVKXFACCH-YZGWKJHDSA-N 2 1 372.513 0.782 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662801564 493543202 /nfs/dbraw/zinc/54/32/02/493543202.db2.gz WEUGYJZUEVNOCJ-ZWKOTPCHSA-N 2 1 360.458 0.653 20 0 FCADMP C[C@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)[C@H]1CN(C)CCO1 ZINC000676303492 493543397 /nfs/dbraw/zinc/54/33/97/493543397.db2.gz CUIOIYFWQOSQTJ-FUHWJXTLSA-N 2 1 368.522 0.849 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662857369 493547618 /nfs/dbraw/zinc/54/76/18/493547618.db2.gz AMNHZTOBGLQKMG-IRXDYDNUSA-N 2 1 369.469 0.983 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000662922182 493553830 /nfs/dbraw/zinc/55/38/30/493553830.db2.gz PEHVNCVOLMRPIF-UHFFFAOYSA-N 2 1 362.474 0.537 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000662922182 493553831 /nfs/dbraw/zinc/55/38/31/493553831.db2.gz PEHVNCVOLMRPIF-UHFFFAOYSA-N 2 1 362.474 0.537 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000662929125 493555144 /nfs/dbraw/zinc/55/51/44/493555144.db2.gz ZDFYREHVCPDBRR-KFWWJZLASA-N 2 1 354.495 0.282 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662941720 493557866 /nfs/dbraw/zinc/55/78/66/493557866.db2.gz AXZKUSBSFPFBPP-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662950531 493560024 /nfs/dbraw/zinc/56/00/24/493560024.db2.gz MRBNFLBHGRIRFM-NZSAHSFTSA-N 2 1 372.513 0.958 20 0 FCADMP CN(C(=O)C(=O)NCc1ccccn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670478569 493572038 /nfs/dbraw/zinc/57/20/38/493572038.db2.gz NRIZHHSOSVGCKG-KRWDZBQOSA-N 2 1 359.474 0.325 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670481955 493573091 /nfs/dbraw/zinc/57/30/91/493573091.db2.gz UJTOOTDUAFBLPN-JSGCOSHPSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670481955 493573092 /nfs/dbraw/zinc/57/30/92/493573092.db2.gz UJTOOTDUAFBLPN-JSGCOSHPSA-N 2 1 354.495 0.247 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000670545909 493579382 /nfs/dbraw/zinc/57/93/82/493579382.db2.gz SJAXEHNQBSGLSD-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671181 493587099 /nfs/dbraw/zinc/58/70/99/493587099.db2.gz OUMCBFCIFNFUFJ-SJORKVTESA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670671181 493587101 /nfs/dbraw/zinc/58/71/01/493587101.db2.gz OUMCBFCIFNFUFJ-SJORKVTESA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670671181 493587105 /nfs/dbraw/zinc/58/71/05/493587105.db2.gz OUMCBFCIFNFUFJ-SJORKVTESA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670709553 493589489 /nfs/dbraw/zinc/58/94/89/493589489.db2.gz PFNQJJYQPVWUSL-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670709553 493589490 /nfs/dbraw/zinc/58/94/90/493589490.db2.gz PFNQJJYQPVWUSL-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670787339 493597072 /nfs/dbraw/zinc/59/70/72/493597072.db2.gz GAJYWONGXCKPKL-INIZCTEOSA-N 2 1 355.442 0.594 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552750 493597065 /nfs/dbraw/zinc/59/70/65/493597065.db2.gz HGXSBCARKQKRMV-ROUUACIJSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552750 493597066 /nfs/dbraw/zinc/59/70/66/493597066.db2.gz HGXSBCARKQKRMV-ROUUACIJSA-N 2 1 368.522 0.584 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)CC(C)C ZINC000670834626 493603825 /nfs/dbraw/zinc/60/38/25/493603825.db2.gz WNWPEVUBQPWEER-IKGGRYGDSA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000670834626 493603827 /nfs/dbraw/zinc/60/38/27/493603827.db2.gz WNWPEVUBQPWEER-IKGGRYGDSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000670878104 493608264 /nfs/dbraw/zinc/60/82/64/493608264.db2.gz GUNOSMLTXUGDGF-KRWDZBQOSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671100735 493632714 /nfs/dbraw/zinc/63/27/14/493632714.db2.gz KUBOFIJKXXBYDZ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671100737 493632846 /nfs/dbraw/zinc/63/28/46/493632846.db2.gz KUBOFIJKXXBYDZ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000678199396 493637703 /nfs/dbraw/zinc/63/77/03/493637703.db2.gz OKQAIGXEKPMQPC-INIZCTEOSA-N 2 1 365.522 0.844 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000671122642 493639181 /nfs/dbraw/zinc/63/91/81/493639181.db2.gz DWLCJJRLMWJZCM-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664177286 493641605 /nfs/dbraw/zinc/64/16/05/493641605.db2.gz CJAQACHLQYISPZ-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181865 493647649 /nfs/dbraw/zinc/64/76/49/493647649.db2.gz SZWDSPWNPAWVEP-SJORKVTESA-N 2 1 357.458 0.473 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000679499841 493683098 /nfs/dbraw/zinc/68/30/98/493683098.db2.gz NPGZHNWFMOIIBD-HUUCEWRRSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000679499841 493683101 /nfs/dbraw/zinc/68/31/01/493683101.db2.gz NPGZHNWFMOIIBD-HUUCEWRRSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664957023 493691705 /nfs/dbraw/zinc/69/17/05/493691705.db2.gz CBLGCBRPPIYRIH-QGZVFWFLSA-N 2 1 354.495 0.605 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000671619107 493698070 /nfs/dbraw/zinc/69/80/70/493698070.db2.gz BIAQKPHZYZCUNY-YESZJQIVSA-N 2 1 354.495 0.602 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000671619107 493698072 /nfs/dbraw/zinc/69/80/72/493698072.db2.gz BIAQKPHZYZCUNY-YESZJQIVSA-N 2 1 354.495 0.602 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665460679 493715949 /nfs/dbraw/zinc/71/59/49/493715949.db2.gz RSOUEHQPLPSDLR-GOSISDBHSA-N 2 1 354.495 0.243 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461326 493716012 /nfs/dbraw/zinc/71/60/12/493716012.db2.gz KMIIKOLMTKBUGM-INIZCTEOSA-N 2 1 368.522 0.585 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461326 493716014 /nfs/dbraw/zinc/71/60/14/493716014.db2.gz KMIIKOLMTKBUGM-INIZCTEOSA-N 2 1 368.522 0.585 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671941238 493716144 /nfs/dbraw/zinc/71/61/44/493716144.db2.gz WFMUDSSFSAYKBK-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672007375 493723713 /nfs/dbraw/zinc/72/37/13/493723713.db2.gz AIRPRKLEQMKMKE-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672007375 493723716 /nfs/dbraw/zinc/72/37/16/493723716.db2.gz AIRPRKLEQMKMKE-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014542 493724724 /nfs/dbraw/zinc/72/47/24/493724724.db2.gz NRWVYLWNBHIEJA-GJZGRUSLSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014542 493724726 /nfs/dbraw/zinc/72/47/26/493724726.db2.gz NRWVYLWNBHIEJA-GJZGRUSLSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672014052 493724762 /nfs/dbraw/zinc/72/47/62/493724762.db2.gz POQDHXKLAABIQG-USXIJHARSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014541 493725004 /nfs/dbraw/zinc/72/50/04/493725004.db2.gz NRWVYLWNBHIEJA-CABCVRRESA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014541 493725006 /nfs/dbraw/zinc/72/50/06/493725006.db2.gz NRWVYLWNBHIEJA-CABCVRRESA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681164134 493748011 /nfs/dbraw/zinc/74/80/11/493748011.db2.gz NTGIUIWWCUSJMX-QGZVFWFLSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305728 493751900 /nfs/dbraw/zinc/75/19/00/493751900.db2.gz BEIPGDAEGIJPEU-WBVHZDCISA-N 2 1 350.507 0.825 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000672330220 493757600 /nfs/dbraw/zinc/75/76/00/493757600.db2.gz VFGYZGZNFYEZMF-UHFFFAOYSA-N 2 1 359.474 0.721 20 0 FCADMP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000666147719 493760151 /nfs/dbraw/zinc/76/01/51/493760151.db2.gz LZTCSPZNAYQXLC-RBUKOAKNSA-N 2 1 373.501 0.754 20 0 FCADMP CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)nn1 ZINC000666269909 493765922 /nfs/dbraw/zinc/76/59/22/493765922.db2.gz AYRKYQOCZHKORV-MRXNPFEDSA-N 2 1 351.499 0.856 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[C@H](C)O1 ZINC000187299979 534467336 /nfs/dbraw/zinc/46/73/36/534467336.db2.gz ONPCEVOVIQHBQQ-ZACQAIPSSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@H](C)O1 ZINC000187299979 534467341 /nfs/dbraw/zinc/46/73/41/534467341.db2.gz ONPCEVOVIQHBQQ-ZACQAIPSSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@H](C)O1 ZINC000187299979 534467344 /nfs/dbraw/zinc/46/73/44/534467344.db2.gz ONPCEVOVIQHBQQ-ZACQAIPSSA-N 2 1 370.538 0.972 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000410845123 527804457 /nfs/dbraw/zinc/80/44/57/527804457.db2.gz QELCWRPUKCFGHL-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000410845123 527804462 /nfs/dbraw/zinc/80/44/62/527804462.db2.gz QELCWRPUKCFGHL-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000410845123 527804468 /nfs/dbraw/zinc/80/44/68/527804468.db2.gz QELCWRPUKCFGHL-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410811956 527842097 /nfs/dbraw/zinc/84/20/97/527842097.db2.gz XAZSKFITVUUKDV-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410811956 527842100 /nfs/dbraw/zinc/84/21/00/527842100.db2.gz XAZSKFITVUUKDV-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410811956 527842105 /nfs/dbraw/zinc/84/21/05/527842105.db2.gz XAZSKFITVUUKDV-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000410698455 527842679 /nfs/dbraw/zinc/84/26/79/527842679.db2.gz NPKAHRVROVJSMA-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000410698455 527842688 /nfs/dbraw/zinc/84/26/88/527842688.db2.gz NPKAHRVROVJSMA-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000410698455 527842692 /nfs/dbraw/zinc/84/26/92/527842692.db2.gz NPKAHRVROVJSMA-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000410698455 527842697 /nfs/dbraw/zinc/84/26/97/527842697.db2.gz NPKAHRVROVJSMA-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410702833 527846545 /nfs/dbraw/zinc/84/65/45/527846545.db2.gz XFDJYUBEAXUOQX-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410702833 527846548 /nfs/dbraw/zinc/84/65/48/527846548.db2.gz XFDJYUBEAXUOQX-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410704124 527846720 /nfs/dbraw/zinc/84/67/20/527846720.db2.gz YVUREPWFXDOLDQ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410704124 527846726 /nfs/dbraw/zinc/84/67/26/527846726.db2.gz YVUREPWFXDOLDQ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000410431418 527989727 /nfs/dbraw/zinc/98/97/27/527989727.db2.gz HEVHXRZKTBQEJQ-KRWDZBQOSA-N 2 1 368.522 0.356 20 0 FCADMP CCO[C@H]1C[C@](CO)([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000186597231 528155531 /nfs/dbraw/zinc/15/55/31/528155531.db2.gz IAXUMRQTQQGDBY-QFBILLFUSA-N 2 1 363.506 0.884 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCN(C)CC1 ZINC000186862906 528452762 /nfs/dbraw/zinc/45/27/62/528452762.db2.gz SJDOGWQOYNXEAF-QGZVFWFLSA-N 2 1 355.527 0.280 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC000410779767 528713927 /nfs/dbraw/zinc/71/39/27/528713927.db2.gz MLCKBVOEKUZTFU-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@H+]1C ZINC000410779767 528713932 /nfs/dbraw/zinc/71/39/32/528713932.db2.gz MLCKBVOEKUZTFU-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC[NH+]1C ZINC000410779767 528713935 /nfs/dbraw/zinc/71/39/35/528713935.db2.gz MLCKBVOEKUZTFU-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC[NH+]1C ZINC000410779767 528713941 /nfs/dbraw/zinc/71/39/41/528713941.db2.gz MLCKBVOEKUZTFU-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC000410779770 528713989 /nfs/dbraw/zinc/71/39/89/528713989.db2.gz MLCKBVOEKUZTFU-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@H+]1C ZINC000410779770 528713992 /nfs/dbraw/zinc/71/39/92/528713992.db2.gz MLCKBVOEKUZTFU-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC[NH+]1C ZINC000410779770 528713995 /nfs/dbraw/zinc/71/39/95/528713995.db2.gz MLCKBVOEKUZTFU-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC[NH+]1C ZINC000410779770 528713999 /nfs/dbraw/zinc/71/39/99/528713999.db2.gz MLCKBVOEKUZTFU-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000410730409 528716338 /nfs/dbraw/zinc/71/63/38/528716338.db2.gz MNCZXXZRJWJVFX-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C ZINC000410730409 528716345 /nfs/dbraw/zinc/71/63/45/528716345.db2.gz MNCZXXZRJWJVFX-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C ZINC000410730409 528716350 /nfs/dbraw/zinc/71/63/50/528716350.db2.gz MNCZXXZRJWJVFX-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C ZINC000410730409 528716354 /nfs/dbraw/zinc/71/63/54/528716354.db2.gz MNCZXXZRJWJVFX-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000410693401 528739420 /nfs/dbraw/zinc/73/94/20/528739420.db2.gz AHSAJWAMLSDRCN-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000410693401 528739423 /nfs/dbraw/zinc/73/94/23/528739423.db2.gz AHSAJWAMLSDRCN-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000410693401 528739425 /nfs/dbraw/zinc/73/94/25/528739425.db2.gz AHSAJWAMLSDRCN-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000410693401 528739427 /nfs/dbraw/zinc/73/94/27/528739427.db2.gz AHSAJWAMLSDRCN-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000411017462 529058789 /nfs/dbraw/zinc/05/87/89/529058789.db2.gz BRWHAQOZJVJLMB-DLBZAZTESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000411017462 529058796 /nfs/dbraw/zinc/05/87/96/529058796.db2.gz BRWHAQOZJVJLMB-DLBZAZTESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019371 529075158 /nfs/dbraw/zinc/07/51/58/529075158.db2.gz FINBTXVSTMNDCU-CVEARBPZSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019371 529075165 /nfs/dbraw/zinc/07/51/65/529075165.db2.gz FINBTXVSTMNDCU-CVEARBPZSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019371 529075169 /nfs/dbraw/zinc/07/51/69/529075169.db2.gz FINBTXVSTMNDCU-CVEARBPZSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000411019371 529075175 /nfs/dbraw/zinc/07/51/75/529075175.db2.gz FINBTXVSTMNDCU-CVEARBPZSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000167816092 529123610 /nfs/dbraw/zinc/12/36/10/529123610.db2.gz WEHXLJOGTKFSQZ-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419688441 535070916 /nfs/dbraw/zinc/07/09/16/535070916.db2.gz AQAJMHNFOVLMLV-GVDBMIGSSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000419154729 535082903 /nfs/dbraw/zinc/08/29/03/535082903.db2.gz QLLAEFSRWAIKMM-ZACQAIPSSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419384552 535083973 /nfs/dbraw/zinc/08/39/73/535083973.db2.gz BBDMYPWXFWLIJU-UHFFFAOYSA-N 2 1 370.497 0.975 20 0 FCADMP CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665343 535186224 /nfs/dbraw/zinc/18/62/24/535186224.db2.gz QOPCMCIKAUZGAD-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665343 535186231 /nfs/dbraw/zinc/18/62/31/535186231.db2.gz QOPCMCIKAUZGAD-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423392600 535210561 /nfs/dbraw/zinc/21/05/61/535210561.db2.gz XTQISVODLXQZHV-RCCFBDPRSA-N 2 1 358.486 0.738 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423392600 535210569 /nfs/dbraw/zinc/21/05/69/535210569.db2.gz XTQISVODLXQZHV-RCCFBDPRSA-N 2 1 358.486 0.738 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419284163 535218963 /nfs/dbraw/zinc/21/89/63/535218963.db2.gz KJVIMXBMVILQNO-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419761125 535297746 /nfs/dbraw/zinc/29/77/46/535297746.db2.gz JTOBNLWTSNVMMH-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419949817 535304674 /nfs/dbraw/zinc/30/46/74/535304674.db2.gz HTBRJWBABVQNLY-MWDXBVQZSA-N 2 1 368.522 0.576 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCOC ZINC000423702268 535425372 /nfs/dbraw/zinc/42/53/72/535425372.db2.gz YABXPGYBPIHHRM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CCOC ZINC000423702268 535425376 /nfs/dbraw/zinc/42/53/76/535425376.db2.gz YABXPGYBPIHHRM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132429 535462811 /nfs/dbraw/zinc/46/28/11/535462811.db2.gz BKXXZGHYKLSRGO-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000446577367 535929906 /nfs/dbraw/zinc/92/99/06/535929906.db2.gz UMUXZOKITWJMFI-LJQANCHMSA-N 2 1 364.490 0.995 20 0 FCADMP CC[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423829566 536111002 /nfs/dbraw/zinc/11/10/02/536111002.db2.gz TXVONPXJKGGYCI-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415266938 536133611 /nfs/dbraw/zinc/13/36/11/536133611.db2.gz SMZXHJDJTLAFLR-HOCLYGCPSA-N 2 1 359.474 0.779 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415266938 536133615 /nfs/dbraw/zinc/13/36/15/536133615.db2.gz SMZXHJDJTLAFLR-HOCLYGCPSA-N 2 1 359.474 0.779 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424494568 536355587 /nfs/dbraw/zinc/35/55/87/536355587.db2.gz NSLYZNOQRVYWSM-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480054 536356494 /nfs/dbraw/zinc/35/64/94/536356494.db2.gz OQQJPMFBNAJNLN-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423387371 536366666 /nfs/dbraw/zinc/36/66/66/536366666.db2.gz MPGVFMDVUXFYQC-QGZVFWFLSA-N 2 1 373.501 0.087 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000415305816 536369316 /nfs/dbraw/zinc/36/93/16/536369316.db2.gz VODYENKYMPDBFX-RHSMWYFYSA-N 2 1 360.458 0.839 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419152546 536416921 /nfs/dbraw/zinc/41/69/21/536416921.db2.gz ONSOEZFPFCUGDD-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419835705 536449045 /nfs/dbraw/zinc/44/90/45/536449045.db2.gz AOZFQZYJAYUHJL-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000423859412 536453263 /nfs/dbraw/zinc/45/32/63/536453263.db2.gz HUNUDRHHVJHDAL-HUUCEWRRSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000423859412 536453266 /nfs/dbraw/zinc/45/32/66/536453266.db2.gz HUNUDRHHVJHDAL-HUUCEWRRSA-N 2 1 363.462 0.517 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000419756364 536481298 /nfs/dbraw/zinc/48/12/98/536481298.db2.gz AURHBDYBYVSEFW-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419678282 536779716 /nfs/dbraw/zinc/77/97/16/536779716.db2.gz OBIUZTULRSTDBF-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC000948385917 674376260 /nfs/dbraw/zinc/37/62/60/674376260.db2.gz RGAVSMCOFWOIIZ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC000948385917 674376262 /nfs/dbraw/zinc/37/62/62/674376262.db2.gz RGAVSMCOFWOIIZ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC000948385917 674376264 /nfs/dbraw/zinc/37/62/64/674376264.db2.gz RGAVSMCOFWOIIZ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000591640616 546595711 /nfs/dbraw/zinc/59/57/11/546595711.db2.gz AFJKDVONPGWBPE-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593731320 546746767 /nfs/dbraw/zinc/74/67/67/546746767.db2.gz WIDJUSAIFRJKFS-GBJTYRQASA-N 2 1 356.467 0.208 20 0 FCADMP C[N@@H+](CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641792477 546958205 /nfs/dbraw/zinc/95/82/05/546958205.db2.gz WBLDAWMRVCOELO-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000076941441 547053421 /nfs/dbraw/zinc/05/34/21/547053421.db2.gz SXRUUXDTODJXKT-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000550133419 547079115 /nfs/dbraw/zinc/07/91/15/547079115.db2.gz OCRDWAHYQMEWGX-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000550653519 547094869 /nfs/dbraw/zinc/09/48/69/547094869.db2.gz KMSVYXWLYCCVLH-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000550957129 547117353 /nfs/dbraw/zinc/11/73/53/547117353.db2.gz IZRDACOAMRQFGS-OAHLLOKOSA-N 2 1 356.511 0.260 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+](C)CCOC ZINC000550954080 547117539 /nfs/dbraw/zinc/11/75/39/547117539.db2.gz GLSDYUMKDYVDMU-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000550954080 547117541 /nfs/dbraw/zinc/11/75/41/547117541.db2.gz GLSDYUMKDYVDMU-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@@H+](C)CCOC ZINC000550954080 547117548 /nfs/dbraw/zinc/11/75/48/547117548.db2.gz GLSDYUMKDYVDMU-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000552192434 547194717 /nfs/dbraw/zinc/19/47/17/547194717.db2.gz SZKUIYRJMMNOEA-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000552856634 547236131 /nfs/dbraw/zinc/23/61/31/547236131.db2.gz NHCUWCKDBGFVEE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000552881041 547236618 /nfs/dbraw/zinc/23/66/18/547236618.db2.gz FQFGTQSJYUPXFV-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000552881041 547236622 /nfs/dbraw/zinc/23/66/22/547236622.db2.gz FQFGTQSJYUPXFV-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000553734869 547304260 /nfs/dbraw/zinc/30/42/60/547304260.db2.gz OKZONZAFDLTILR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000553734869 547304261 /nfs/dbraw/zinc/30/42/61/547304261.db2.gz OKZONZAFDLTILR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000553734869 547304265 /nfs/dbraw/zinc/30/42/65/547304265.db2.gz OKZONZAFDLTILR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704250 547385868 /nfs/dbraw/zinc/38/58/68/547385868.db2.gz MEZHTJAPJQNWTR-IMBTUZDBSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704250 547385873 /nfs/dbraw/zinc/38/58/73/547385873.db2.gz MEZHTJAPJQNWTR-IMBTUZDBSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704250 547385879 /nfs/dbraw/zinc/38/58/79/547385879.db2.gz MEZHTJAPJQNWTR-IMBTUZDBSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704250 547385883 /nfs/dbraw/zinc/38/58/83/547385883.db2.gz MEZHTJAPJQNWTR-IMBTUZDBSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(Cc3cnon3)CC2)O1 ZINC000948541157 674380536 /nfs/dbraw/zinc/38/05/36/674380536.db2.gz CTBPGCMZCHXCNI-VNQPRFMTSA-N 2 1 351.451 0.602 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(Cc3cnon3)CC2)O1 ZINC000948541157 674380540 /nfs/dbraw/zinc/38/05/40/674380540.db2.gz CTBPGCMZCHXCNI-VNQPRFMTSA-N 2 1 351.451 0.602 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206093 674397281 /nfs/dbraw/zinc/39/72/81/674397281.db2.gz LTFPNTAAWUBBOL-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000141475496 568295696 /nfs/dbraw/zinc/29/56/96/568295696.db2.gz NNUPQKFPAQIOLV-SJORKVTESA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000141475496 568295697 /nfs/dbraw/zinc/29/56/97/568295697.db2.gz NNUPQKFPAQIOLV-SJORKVTESA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000141475496 568295699 /nfs/dbraw/zinc/29/56/99/568295699.db2.gz NNUPQKFPAQIOLV-SJORKVTESA-N 2 1 363.506 0.419 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736858414 598285720 /nfs/dbraw/zinc/28/57/20/598285720.db2.gz ZXOHAMCDSPICBR-UHFFFAOYSA-N 2 1 370.465 0.027 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000736767899 598287182 /nfs/dbraw/zinc/28/71/82/598287182.db2.gz TXWPKGXYZJFSBD-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822478970 599446337 /nfs/dbraw/zinc/44/63/37/599446337.db2.gz WSMMFIHXHWLADO-CYBMUJFWSA-N 2 1 356.438 0.680 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000953948538 674486833 /nfs/dbraw/zinc/48/68/33/674486833.db2.gz VPJPGGZMYPNWKD-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000953948538 674486835 /nfs/dbraw/zinc/48/68/35/674486835.db2.gz VPJPGGZMYPNWKD-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000953948538 674486836 /nfs/dbraw/zinc/48/68/36/674486836.db2.gz VPJPGGZMYPNWKD-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000954840131 674505949 /nfs/dbraw/zinc/50/59/49/674505949.db2.gz LISREEDKOAWWDD-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000954840131 674505952 /nfs/dbraw/zinc/50/59/52/674505952.db2.gz LISREEDKOAWWDD-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000954840131 674505955 /nfs/dbraw/zinc/50/59/55/674505955.db2.gz LISREEDKOAWWDD-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821268440 606284865 /nfs/dbraw/zinc/28/48/65/606284865.db2.gz XFBBEKXNUIHCCD-HNNXBMFYSA-N 2 1 374.493 0.693 20 0 FCADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000826506634 608382990 /nfs/dbraw/zinc/38/29/90/608382990.db2.gz YMDVFSIBVXZSGV-UHFFFAOYSA-N 2 1 358.446 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958166636 674560166 /nfs/dbraw/zinc/56/01/66/674560166.db2.gz VTPILQJCDPBAGO-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897590649 665740685 /nfs/dbraw/zinc/74/06/85/665740685.db2.gz HOJBFCADURUZFY-HNNXBMFYSA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COCC[C@H]1OC ZINC000898097797 665803306 /nfs/dbraw/zinc/80/33/06/665803306.db2.gz GYHMIIFJEQTFEY-GVDBMIGSSA-N 2 1 356.511 0.848 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000898471112 665879075 /nfs/dbraw/zinc/87/90/75/665879075.db2.gz MFXNYCLYBBNBFG-UHFFFAOYSA-N 2 1 352.523 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C)CC[N@H+]1C ZINC001020456955 663157540 /nfs/dbraw/zinc/15/75/40/663157540.db2.gz WQDMSHUDWZABJU-SMLCLMEVSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)CC[NH+]1C ZINC001020456955 663157543 /nfs/dbraw/zinc/15/75/43/663157543.db2.gz WQDMSHUDWZABJU-SMLCLMEVSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000969706767 663190422 /nfs/dbraw/zinc/19/04/22/663190422.db2.gz PHMSZEYARZDENL-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@H+]1C ZINC001022103657 663404599 /nfs/dbraw/zinc/40/45/99/663404599.db2.gz KCXPVCQIXRSJQU-GUIRCDHDSA-N 2 1 369.487 0.760 20 0 FCADMP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001022105279 663404921 /nfs/dbraw/zinc/40/49/21/663404921.db2.gz XXTIPJPQNNMVCU-XHJNMGKDSA-N 2 1 351.451 0.854 20 0 FCADMP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001022105279 663404923 /nfs/dbraw/zinc/40/49/23/663404923.db2.gz XXTIPJPQNNMVCU-XHJNMGKDSA-N 2 1 351.451 0.854 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022109564 663405845 /nfs/dbraw/zinc/40/58/45/663405845.db2.gz OVQINIXRLQCCAX-ARKGTOAJSA-N 2 1 357.520 0.388 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000891493183 663409891 /nfs/dbraw/zinc/40/98/91/663409891.db2.gz NIJCVPWSOJCNSB-KRWDZBQOSA-N 2 1 350.463 0.929 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000891513451 663410761 /nfs/dbraw/zinc/41/07/61/663410761.db2.gz CIPGULPBMJUUHN-BZUAXINKSA-N 2 1 352.479 0.308 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000891926329 663449755 /nfs/dbraw/zinc/44/97/55/663449755.db2.gz MKJUTEWLZYZVOG-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000891926329 663449756 /nfs/dbraw/zinc/44/97/56/663449756.db2.gz MKJUTEWLZYZVOG-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000891926329 663449759 /nfs/dbraw/zinc/44/97/59/663449759.db2.gz MKJUTEWLZYZVOG-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891953076 663454541 /nfs/dbraw/zinc/45/45/41/663454541.db2.gz MUTHECHGHLMWNM-YJBOKZPZSA-N 2 1 352.479 0.452 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891954614 663455179 /nfs/dbraw/zinc/45/51/79/663455179.db2.gz XRUOTMIJENWHPK-UHFFFAOYSA-N 2 1 352.479 0.533 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891977215 663460616 /nfs/dbraw/zinc/46/06/16/663460616.db2.gz ZFGXZDOLRUQBGQ-KRWDZBQOSA-N 2 1 353.511 0.082 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CC2CCC2)CCO3)O1 ZINC000972430845 663533110 /nfs/dbraw/zinc/53/31/10/663533110.db2.gz LFOJBUCMXQXAER-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CC2CCC2)CCO3)O1 ZINC000972430845 663533113 /nfs/dbraw/zinc/53/31/13/663533113.db2.gz LFOJBUCMXQXAER-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CC2CCC2)CCO3)O1 ZINC000972430845 663533117 /nfs/dbraw/zinc/53/31/17/663533117.db2.gz LFOJBUCMXQXAER-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CC2CCC2)CCO3)O1 ZINC000972430845 663533119 /nfs/dbraw/zinc/53/31/19/663533119.db2.gz LFOJBUCMXQXAER-SUMDDJOVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001024447178 663943752 /nfs/dbraw/zinc/94/37/52/663943752.db2.gz SBSPOPXOJHYAJR-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001024447178 663943753 /nfs/dbraw/zinc/94/37/53/663943753.db2.gz SBSPOPXOJHYAJR-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001024447178 663943756 /nfs/dbraw/zinc/94/37/56/663943756.db2.gz SBSPOPXOJHYAJR-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001024447178 663943758 /nfs/dbraw/zinc/94/37/58/663943758.db2.gz SBSPOPXOJHYAJR-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000959659255 674582390 /nfs/dbraw/zinc/58/23/90/674582390.db2.gz WQQNUXFLEBRVFH-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC000959659255 674582393 /nfs/dbraw/zinc/58/23/93/674582393.db2.gz WQQNUXFLEBRVFH-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC000959659255 674582397 /nfs/dbraw/zinc/58/23/97/674582397.db2.gz WQQNUXFLEBRVFH-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnnn2C)O1 ZINC001024997880 664034116 /nfs/dbraw/zinc/03/41/16/664034116.db2.gz BDAYEZAMLSQXNO-IIAWOOMASA-N 2 1 350.467 0.005 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649375 664058873 /nfs/dbraw/zinc/05/88/73/664058873.db2.gz LDAMPWZVZLYQNL-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649375 664058874 /nfs/dbraw/zinc/05/88/74/664058874.db2.gz LDAMPWZVZLYQNL-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649375 664058876 /nfs/dbraw/zinc/05/88/76/664058876.db2.gz LDAMPWZVZLYQNL-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000892651519 664059177 /nfs/dbraw/zinc/05/91/77/664059177.db2.gz ZJJYHDAZCMNMEK-JYJNAYRXSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892651519 664059180 /nfs/dbraw/zinc/05/91/80/664059180.db2.gz ZJJYHDAZCMNMEK-JYJNAYRXSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892651519 664059182 /nfs/dbraw/zinc/05/91/82/664059182.db2.gz ZJJYHDAZCMNMEK-JYJNAYRXSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000973271210 664092035 /nfs/dbraw/zinc/09/20/35/664092035.db2.gz UWGBZTWOMZIIDV-MWQQHZPXSA-N 2 1 350.507 0.822 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973331051 664098046 /nfs/dbraw/zinc/09/80/46/664098046.db2.gz GVEIDIGDIOMBPO-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973331051 664098048 /nfs/dbraw/zinc/09/80/48/664098048.db2.gz GVEIDIGDIOMBPO-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973331051 664098053 /nfs/dbraw/zinc/09/80/53/664098053.db2.gz GVEIDIGDIOMBPO-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973331052 664098107 /nfs/dbraw/zinc/09/81/07/664098107.db2.gz GVEIDIGDIOMBPO-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973331052 664098110 /nfs/dbraw/zinc/09/81/10/664098110.db2.gz GVEIDIGDIOMBPO-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973331052 664098113 /nfs/dbraw/zinc/09/81/13/664098113.db2.gz GVEIDIGDIOMBPO-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000973334086 664100080 /nfs/dbraw/zinc/10/00/80/664100080.db2.gz YDITZKVUEBQRNP-VIQHNZTISA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000973334086 664100082 /nfs/dbraw/zinc/10/00/82/664100082.db2.gz YDITZKVUEBQRNP-VIQHNZTISA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000973334086 664100083 /nfs/dbraw/zinc/10/00/83/664100083.db2.gz YDITZKVUEBQRNP-VIQHNZTISA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000892764664 664138857 /nfs/dbraw/zinc/13/88/57/664138857.db2.gz VZUNJVZRRFSWBR-JYJNAYRXSA-N 2 1 354.495 0.242 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@H](C)N1CCOCC1 ZINC000892837529 664149059 /nfs/dbraw/zinc/14/90/59/664149059.db2.gz CTOUOGCLXLAOCL-MWDXBVQZSA-N 2 1 354.495 0.336 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000974191478 664227599 /nfs/dbraw/zinc/22/75/99/664227599.db2.gz CVPDFVLJKXADNF-ZOFXXKQRSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000974191476 664227621 /nfs/dbraw/zinc/22/76/21/664227621.db2.gz CVPDFVLJKXADNF-UHDSXZAQSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001026913469 664276731 /nfs/dbraw/zinc/27/67/31/664276731.db2.gz ACLFGZOADWAZGL-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000978870028 664447317 /nfs/dbraw/zinc/44/73/17/664447317.db2.gz ONDWSIAXLPTSRO-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000978870028 664447320 /nfs/dbraw/zinc/44/73/20/664447320.db2.gz ONDWSIAXLPTSRO-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000978870028 664447322 /nfs/dbraw/zinc/44/73/22/664447322.db2.gz ONDWSIAXLPTSRO-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC000981200227 664817524 /nfs/dbraw/zinc/81/75/24/664817524.db2.gz OBDKHHLJEXDWLW-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC[N@H+]1C ZINC000981200227 664817526 /nfs/dbraw/zinc/81/75/26/664817526.db2.gz OBDKHHLJEXDWLW-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)CC2)CC[NH+]1C ZINC000981200227 664817528 /nfs/dbraw/zinc/81/75/28/664817528.db2.gz OBDKHHLJEXDWLW-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)CC2)CC[NH+]1C ZINC000981200227 664817532 /nfs/dbraw/zinc/81/75/32/664817532.db2.gz OBDKHHLJEXDWLW-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC000983707937 664985310 /nfs/dbraw/zinc/98/53/10/664985310.db2.gz GHPYWGVGGCASCG-WRQOLXDDSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000983708673 664985325 /nfs/dbraw/zinc/98/53/25/664985325.db2.gz MFYGOJMGFAGCBV-MWQQHZPXSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896540964 665092551 /nfs/dbraw/zinc/09/25/51/665092551.db2.gz HDRRZFQFTPRXQD-UAGQMJEPSA-N 2 1 354.564 0.954 20 0 FCADMP CC(C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000896707938 665104013 /nfs/dbraw/zinc/10/40/13/665104013.db2.gz KHRSTODEOJKCSX-SFHVURJKSA-N 2 1 352.523 0.485 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000985065715 665130133 /nfs/dbraw/zinc/13/01/33/665130133.db2.gz MFQWYKMYJPCFJO-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985160742 665138041 /nfs/dbraw/zinc/13/80/41/665138041.db2.gz KPKIKJGFSLIWBA-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001029966520 665219683 /nfs/dbraw/zinc/21/96/83/665219683.db2.gz WKDSHLOCJMAERA-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000897433502 665258789 /nfs/dbraw/zinc/25/87/89/665258789.db2.gz XUWWWGFCWWBTGL-MRXNPFEDSA-N 2 1 351.495 0.278 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)CC[N@H+]1C ZINC000988782314 665314394 /nfs/dbraw/zinc/31/43/94/665314394.db2.gz ITJWQNBSLDWDKN-SRABZTEZSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000989050171 665337627 /nfs/dbraw/zinc/33/76/27/665337627.db2.gz IBTBPMXWFPVEMX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000989050171 665337630 /nfs/dbraw/zinc/33/76/30/665337630.db2.gz IBTBPMXWFPVEMX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000989050171 665337634 /nfs/dbraw/zinc/33/76/34/665337634.db2.gz IBTBPMXWFPVEMX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000906390575 666052431 /nfs/dbraw/zinc/05/24/31/666052431.db2.gz BHQPSLLQPNEDSC-UHFFFAOYSA-N 2 1 350.532 0.928 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000906390575 666052432 /nfs/dbraw/zinc/05/24/32/666052432.db2.gz BHQPSLLQPNEDSC-UHFFFAOYSA-N 2 1 350.532 0.928 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000910892649 666289285 /nfs/dbraw/zinc/28/92/85/666289285.db2.gz KZZMGVHSSMCKPO-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000910892649 666289287 /nfs/dbraw/zinc/28/92/87/666289287.db2.gz KZZMGVHSSMCKPO-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564714 666367277 /nfs/dbraw/zinc/36/72/77/666367277.db2.gz VJHMLCHONBTYGD-IRXDYDNUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(CCn3cc(Cl)cn3)C2)O1 ZINC001031765214 666495091 /nfs/dbraw/zinc/49/50/91/666495091.db2.gz DCDZRAQCEGNQKH-IUODEOHRSA-N 2 1 355.870 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000992401586 666636107 /nfs/dbraw/zinc/63/61/07/666636107.db2.gz RNPUYKDUYGGWOV-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000992401586 666636108 /nfs/dbraw/zinc/63/61/08/666636108.db2.gz RNPUYKDUYGGWOV-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000992401586 666636109 /nfs/dbraw/zinc/63/61/09/666636109.db2.gz RNPUYKDUYGGWOV-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCCCC1 ZINC000731757269 666837658 /nfs/dbraw/zinc/83/76/58/666837658.db2.gz WLNFPLGYEQZCED-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000993821417 666940348 /nfs/dbraw/zinc/94/03/48/666940348.db2.gz VXSULMUNVZYODH-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000993821417 666940350 /nfs/dbraw/zinc/94/03/50/666940350.db2.gz VXSULMUNVZYODH-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000993821417 666940352 /nfs/dbraw/zinc/94/03/52/666940352.db2.gz VXSULMUNVZYODH-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCn1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000996721312 666968398 /nfs/dbraw/zinc/96/83/98/666968398.db2.gz YLSRNSOTDIUAQN-CZUORRHYSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000996721312 666968400 /nfs/dbraw/zinc/96/84/00/666968400.db2.gz YLSRNSOTDIUAQN-CZUORRHYSA-N 2 1 350.467 0.098 20 0 FCADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC000996721770 666968418 /nfs/dbraw/zinc/96/84/18/666968418.db2.gz ZSDINFUHNPTZHX-IUODEOHRSA-N 2 1 352.435 0.483 20 0 FCADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC000996721770 666968419 /nfs/dbraw/zinc/96/84/19/666968419.db2.gz ZSDINFUHNPTZHX-IUODEOHRSA-N 2 1 352.435 0.483 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000917047739 667046409 /nfs/dbraw/zinc/04/64/09/667046409.db2.gz GDJBGJXRWSVLOP-UHFFFAOYSA-N 2 1 369.579 0.297 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000997389716 667146884 /nfs/dbraw/zinc/14/68/84/667146884.db2.gz JSZQYMKXJJSWOE-JKSUJKDBSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccns3)C2)O1 ZINC000999497948 667241153 /nfs/dbraw/zinc/24/11/53/667241153.db2.gz TUVFIURRLZTEIL-IJEWVQPXSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccns3)C2)O1 ZINC000999497948 667241157 /nfs/dbraw/zinc/24/11/57/667241157.db2.gz TUVFIURRLZTEIL-IJEWVQPXSA-N 2 1 352.504 0.985 20 0 FCADMP COCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985426 667258678 /nfs/dbraw/zinc/25/86/78/667258678.db2.gz CCELKIWSWYYTPI-FVQBIDKESA-N 2 1 350.467 0.128 20 0 FCADMP COCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985426 667258681 /nfs/dbraw/zinc/25/86/81/667258681.db2.gz CCELKIWSWYYTPI-FVQBIDKESA-N 2 1 350.467 0.128 20 0 FCADMP COCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985426 667258683 /nfs/dbraw/zinc/25/86/83/667258683.db2.gz CCELKIWSWYYTPI-FVQBIDKESA-N 2 1 350.467 0.128 20 0 FCADMP CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993742 667259634 /nfs/dbraw/zinc/25/96/34/667259634.db2.gz VAQWUZDZRDJQCY-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993742 667259636 /nfs/dbraw/zinc/25/96/36/667259636.db2.gz VAQWUZDZRDJQCY-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993742 667259637 /nfs/dbraw/zinc/25/96/37/667259637.db2.gz VAQWUZDZRDJQCY-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993742 667259638 /nfs/dbraw/zinc/25/96/38/667259638.db2.gz VAQWUZDZRDJQCY-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001002263249 667527743 /nfs/dbraw/zinc/52/77/43/667527743.db2.gz NBCOHUNHFBURHG-BHYGNILZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001002263249 667527747 /nfs/dbraw/zinc/52/77/47/667527747.db2.gz NBCOHUNHFBURHG-BHYGNILZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001002263249 667527751 /nfs/dbraw/zinc/52/77/51/667527751.db2.gz NBCOHUNHFBURHG-BHYGNILZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001002860319 667572431 /nfs/dbraw/zinc/57/24/31/667572431.db2.gz ZXUNHWHHDBOUAZ-JKSUJKDBSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348716 667642421 /nfs/dbraw/zinc/64/24/21/667642421.db2.gz WVHFCKXFIJIQGV-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922348716 667642425 /nfs/dbraw/zinc/64/24/25/667642425.db2.gz WVHFCKXFIJIQGV-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922348716 667642428 /nfs/dbraw/zinc/64/24/28/667642428.db2.gz WVHFCKXFIJIQGV-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348717 667642681 /nfs/dbraw/zinc/64/26/81/667642681.db2.gz WVHFCKXFIJIQGV-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922348717 667642686 /nfs/dbraw/zinc/64/26/86/667642686.db2.gz WVHFCKXFIJIQGV-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922348717 667642688 /nfs/dbraw/zinc/64/26/88/667642688.db2.gz WVHFCKXFIJIQGV-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922349314 667642942 /nfs/dbraw/zinc/64/29/42/667642942.db2.gz SDBIVXLTQZHVCL-KZNAEPCWSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922349313 667642983 /nfs/dbraw/zinc/64/29/83/667642983.db2.gz SDBIVXLTQZHVCL-KURKYZTESA-N 2 1 352.523 0.772 20 0 FCADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091052 667669772 /nfs/dbraw/zinc/66/97/72/667669772.db2.gz JTDJDHJNGGVGSJ-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946595157 667676073 /nfs/dbraw/zinc/67/60/73/667676073.db2.gz LHMBZEAIAAQESA-WCXIOVBPSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595157 667676076 /nfs/dbraw/zinc/67/60/76/667676076.db2.gz LHMBZEAIAAQESA-WCXIOVBPSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595157 667676079 /nfs/dbraw/zinc/67/60/79/667676079.db2.gz LHMBZEAIAAQESA-WCXIOVBPSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001005407711 667740049 /nfs/dbraw/zinc/74/00/49/667740049.db2.gz QKUWFSFIOMTMFR-YUELXQCFSA-N 2 1 350.463 0.055 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001034649734 667762447 /nfs/dbraw/zinc/76/24/47/667762447.db2.gz RREIIGFGPDNJTC-LUKYLMHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncn3C)CC2)O1 ZINC001034674531 667763355 /nfs/dbraw/zinc/76/33/55/667763355.db2.gz ITWVSAKFTUTCEW-KBUPBQIOSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncn3C)CC2)O1 ZINC001034674531 667763356 /nfs/dbraw/zinc/76/33/56/667763356.db2.gz ITWVSAKFTUTCEW-KBUPBQIOSA-N 2 1 350.467 0.051 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)sn1 ZINC001034970996 667772537 /nfs/dbraw/zinc/77/25/37/667772537.db2.gz AFQDDIHEQYIMGW-UMVBOHGHSA-N 2 1 368.503 0.951 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)sn1 ZINC001034970996 667772540 /nfs/dbraw/zinc/77/25/40/667772540.db2.gz AFQDDIHEQYIMGW-UMVBOHGHSA-N 2 1 368.503 0.951 20 0 FCADMP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370653 667776547 /nfs/dbraw/zinc/77/65/47/667776547.db2.gz PBHMCHGZBSYXMW-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370653 667776551 /nfs/dbraw/zinc/77/65/51/667776551.db2.gz PBHMCHGZBSYXMW-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280895 667821800 /nfs/dbraw/zinc/82/18/00/667821800.db2.gz LSBBLQAYQBPYFW-DZGCQCFKSA-N 2 1 355.866 0.867 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923346248 667827158 /nfs/dbraw/zinc/82/71/58/667827158.db2.gz QOXQYDFIJSRMJT-CVEARBPZSA-N 2 1 353.438 0.885 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923535195 667846425 /nfs/dbraw/zinc/84/64/25/667846425.db2.gz ZJJANZDRPQUKAK-IEBWSBKVSA-N 2 1 352.523 0.677 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000946916194 667847538 /nfs/dbraw/zinc/84/75/38/667847538.db2.gz NZDRPOKKXNNSDP-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000764500891 667985392 /nfs/dbraw/zinc/98/53/92/667985392.db2.gz ASJHCROHMNHUEL-CVEARBPZSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000764500891 667985394 /nfs/dbraw/zinc/98/53/94/667985394.db2.gz ASJHCROHMNHUEL-CVEARBPZSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000764500891 667985396 /nfs/dbraw/zinc/98/53/96/667985396.db2.gz ASJHCROHMNHUEL-CVEARBPZSA-N 2 1 367.563 0.584 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCSC3(CCOCC3)C1)C2=O ZINC000769774978 668152421 /nfs/dbraw/zinc/15/24/21/668152421.db2.gz NEYXGVZNGWSSGD-UHFFFAOYSA-N 2 1 368.503 0.558 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCSC3(CCOCC3)C1)C2=O ZINC000769774978 668152424 /nfs/dbraw/zinc/15/24/24/668152424.db2.gz NEYXGVZNGWSSGD-UHFFFAOYSA-N 2 1 368.503 0.558 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000770124239 668174243 /nfs/dbraw/zinc/17/42/43/668174243.db2.gz PQALPXNUCWXLOF-USXIJHARSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770124239 668174247 /nfs/dbraw/zinc/17/42/47/668174247.db2.gz PQALPXNUCWXLOF-USXIJHARSA-N 2 1 354.495 0.648 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000790051873 668871112 /nfs/dbraw/zinc/87/11/12/668871112.db2.gz XTRKAYNSPDXBQF-ZDUSSCGKSA-N 2 1 357.524 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701381 668943098 /nfs/dbraw/zinc/94/30/98/668943098.db2.gz PYGVQOJPNMOIEB-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCCCC1 ZINC000793728581 668945954 /nfs/dbraw/zinc/94/59/54/668945954.db2.gz VQZWLAIWJBTYDM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000818975457 668967281 /nfs/dbraw/zinc/96/72/81/668967281.db2.gz QMKWZALOQFJEQA-KRWDZBQOSA-N 2 1 356.488 0.824 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819062990 668975894 /nfs/dbraw/zinc/97/58/94/668975894.db2.gz VLLQBQPXGFUOCZ-KRWDZBQOSA-N 2 1 358.483 0.016 20 0 FCADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCCCN3CCCC3=O)C2)CC1 ZINC000799178695 669287713 /nfs/dbraw/zinc/28/77/13/669287713.db2.gz DHWHEVUAFPDRDT-UHFFFAOYSA-N 2 1 350.507 0.923 20 0 FCADMP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1sccc1C(N)=O)CCO2 ZINC000830643167 669798407 /nfs/dbraw/zinc/79/84/07/669798407.db2.gz YECPIQFLPVEJLY-UHFFFAOYSA-N 2 1 366.487 0.972 20 0 FCADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)CCO2 ZINC000830643167 669798412 /nfs/dbraw/zinc/79/84/12/669798412.db2.gz YECPIQFLPVEJLY-UHFFFAOYSA-N 2 1 366.487 0.972 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2Cl)CC1 ZINC000841187796 670539676 /nfs/dbraw/zinc/53/96/76/670539676.db2.gz BZCWMJDKIOAQPC-UHFFFAOYSA-N 2 1 367.881 0.884 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C2=O ZINC000842619126 670702833 /nfs/dbraw/zinc/70/28/33/670702833.db2.gz UHMGARYZSMYIOT-HUUCEWRRSA-N 2 1 350.463 0.851 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362928 670807303 /nfs/dbraw/zinc/80/73/03/670807303.db2.gz VIUDKVBIKSIWMR-CHWSQXEVSA-N 2 1 351.451 0.332 20 0 FCADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844975410 670958140 /nfs/dbraw/zinc/95/81/40/670958140.db2.gz IOWPRACRVSFLPU-IAGOWNOFSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844975410 670958144 /nfs/dbraw/zinc/95/81/44/670958144.db2.gz IOWPRACRVSFLPU-IAGOWNOFSA-N 2 1 352.479 0.090 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646260 671134603 /nfs/dbraw/zinc/13/46/03/671134603.db2.gz BFLXJZGQPNJDGP-LSDHHAIUSA-N 2 1 352.479 0.461 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968010517 675177719 /nfs/dbraw/zinc/17/77/19/675177719.db2.gz RCXZVHRRPORBIC-OIISXLGYSA-N 2 1 352.523 0.972 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000968014598 675178057 /nfs/dbraw/zinc/17/80/57/675178057.db2.gz WXYXQDHXQDTPRG-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000968014598 675178059 /nfs/dbraw/zinc/17/80/59/675178059.db2.gz WXYXQDHXQDTPRG-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000968014598 675178061 /nfs/dbraw/zinc/17/80/61/675178061.db2.gz WXYXQDHXQDTPRG-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)COc1cccc(F)c1 ZINC000849059297 671316178 /nfs/dbraw/zinc/31/61/78/671316178.db2.gz JBGYKESNLWYCFY-HNNXBMFYSA-N 2 1 354.426 0.402 20 0 FCADMP CCOC(=O)c1sc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc1C ZINC000849102739 671317884 /nfs/dbraw/zinc/31/78/84/671317884.db2.gz SBXCGMYGTSJDGG-UHFFFAOYSA-N 2 1 369.491 0.964 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000849111124 671318194 /nfs/dbraw/zinc/31/81/94/671318194.db2.gz UBSOIHKSAXWTBW-CQSZACIVSA-N 2 1 357.499 0.982 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892008 675906271 /nfs/dbraw/zinc/90/62/71/675906271.db2.gz ZEPHGFZNWGKDKR-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892008 675906272 /nfs/dbraw/zinc/90/62/72/675906272.db2.gz ZEPHGFZNWGKDKR-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892008 675906273 /nfs/dbraw/zinc/90/62/73/675906273.db2.gz ZEPHGFZNWGKDKR-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]3C2)O1 ZINC001048892008 675906275 /nfs/dbraw/zinc/90/62/75/675906275.db2.gz ZEPHGFZNWGKDKR-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccns4)C[C@@H]3C2)O1 ZINC001048891547 675906471 /nfs/dbraw/zinc/90/64/71/675906471.db2.gz PLTOGEXATYPDBM-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccns4)C[C@@H]3C2)O1 ZINC001048891547 675906472 /nfs/dbraw/zinc/90/64/72/675906472.db2.gz PLTOGEXATYPDBM-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccns4)C[C@@H]3C2)O1 ZINC001048891547 675906474 /nfs/dbraw/zinc/90/64/74/675906474.db2.gz PLTOGEXATYPDBM-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccns4)C[C@@H]3C2)O1 ZINC001048891547 675906476 /nfs/dbraw/zinc/90/64/76/675906476.db2.gz PLTOGEXATYPDBM-HGTKMLMNSA-N 2 1 350.488 0.752 20 0 FCADMP CCCCNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511111 675935975 /nfs/dbraw/zinc/93/59/75/675935975.db2.gz PARCVNHDXCXADT-IYBDPMFKSA-N 2 1 351.495 0.513 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049481721 675950267 /nfs/dbraw/zinc/95/02/67/675950267.db2.gz JFHQFWXBCWQFNS-YVSFHVDLSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049481721 675950268 /nfs/dbraw/zinc/95/02/68/675950268.db2.gz JFHQFWXBCWQFNS-YVSFHVDLSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481721 675950269 /nfs/dbraw/zinc/95/02/69/675950269.db2.gz JFHQFWXBCWQFNS-YVSFHVDLSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481721 675950271 /nfs/dbraw/zinc/95/02/71/675950271.db2.gz JFHQFWXBCWQFNS-YVSFHVDLSA-N 2 1 371.547 0.827 20 0 FCADMP CCN(CC)C(=O)CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733387 675965094 /nfs/dbraw/zinc/96/50/94/675965094.db2.gz MMCDHAXZSUINSQ-QGZVFWFLSA-N 2 1 352.523 0.631 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903734015 675965177 /nfs/dbraw/zinc/96/51/77/675965177.db2.gz SKIIYAQNMIJEJX-HKUYNNGSSA-N 2 1 350.507 0.385 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863316437 672112852 /nfs/dbraw/zinc/11/28/52/672112852.db2.gz NORPVMPZMGMWBU-KGLIPLIRSA-N 2 1 358.483 0.014 20 0 FCADMP O=C1[C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000903926949 675983099 /nfs/dbraw/zinc/98/30/99/675983099.db2.gz VWSPQMZSEBHBNA-WCQYABFASA-N 2 1 360.384 0.846 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863763595 672151093 /nfs/dbraw/zinc/15/10/93/672151093.db2.gz FYTPLKSNTNUOSV-HNNXBMFYSA-N 2 1 356.511 0.389 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(F)(F)C(=O)NCCn1cc[nH+]c1C ZINC000865921977 672255637 /nfs/dbraw/zinc/25/56/37/672255637.db2.gz YOVAGAFKYPXKNP-UHFFFAOYSA-N 2 1 354.361 0.264 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@H+]1C ZINC001054135100 676001097 /nfs/dbraw/zinc/00/10/97/676001097.db2.gz VBZSPATZEAUCAR-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001054135100 676001098 /nfs/dbraw/zinc/00/10/98/676001098.db2.gz VBZSPATZEAUCAR-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001054135100 676001099 /nfs/dbraw/zinc/00/10/99/676001099.db2.gz VBZSPATZEAUCAR-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP CN1CC[NH+](C2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC000867817072 672371742 /nfs/dbraw/zinc/37/17/42/672371742.db2.gz RQOVNYBGDZCJOC-UHFFFAOYSA-N 2 1 358.552 0.514 20 0 FCADMP CC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055511396 676021805 /nfs/dbraw/zinc/02/18/05/676021805.db2.gz IMNMPRRIIJZIAO-NVXWUHKLSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3(C)CC3)CC2)CC[N@H+]1C ZINC001055583217 676025078 /nfs/dbraw/zinc/02/50/78/676025078.db2.gz DUCBTGRDLXCLCI-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)=CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583310 676025499 /nfs/dbraw/zinc/02/54/99/676025499.db2.gz ILQGUBNDHYUIFL-NVXWUHKLSA-N 2 1 350.507 0.990 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C1\SCC(=O)N1C ZINC000874266293 672771716 /nfs/dbraw/zinc/77/17/16/672771716.db2.gz IOOWMBWWMPEBGS-FMNVXAMXSA-N 2 1 354.520 0.908 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC3CCOCC3)CC2)O1 ZINC001000838992 676061200 /nfs/dbraw/zinc/06/12/00/676061200.db2.gz ZHNLZJLUQPAJKB-CRAIPNDOSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC3CCOCC3)CC2)O1 ZINC001000838992 676061201 /nfs/dbraw/zinc/06/12/01/676061201.db2.gz ZHNLZJLUQPAJKB-CRAIPNDOSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CC3CCOCC3)CC2)O1 ZINC001000838992 676061202 /nfs/dbraw/zinc/06/12/02/676061202.db2.gz ZHNLZJLUQPAJKB-CRAIPNDOSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CC3CCOCC3)CC2)O1 ZINC001000838992 676061203 /nfs/dbraw/zinc/06/12/03/676061203.db2.gz ZHNLZJLUQPAJKB-CRAIPNDOSA-N 2 1 351.491 0.880 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)CC[N@H+]1C ZINC001050050869 676077991 /nfs/dbraw/zinc/07/79/91/676077991.db2.gz JGMFYBQQINNCGR-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC[NH+]1C ZINC001050050869 676077992 /nfs/dbraw/zinc/07/79/92/676077992.db2.gz JGMFYBQQINNCGR-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC[NH+]1C ZINC001050050869 676077994 /nfs/dbraw/zinc/07/79/94/676077994.db2.gz JGMFYBQQINNCGR-MWDXBVQZSA-N 2 1 350.507 0.728 20 0 FCADMP O=S(=O)(N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1CC[NH2+]CC1 ZINC000923650505 672966059 /nfs/dbraw/zinc/96/60/59/672966059.db2.gz OGVMSFMBXXKQKI-DLBZAZTESA-N 2 1 350.488 0.343 20 0 FCADMP O=S(=O)(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1CC[NH2+]CC1 ZINC000923650505 672966062 /nfs/dbraw/zinc/96/60/62/672966062.db2.gz OGVMSFMBXXKQKI-DLBZAZTESA-N 2 1 350.488 0.343 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)[C@]1(COC)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000876717151 672974590 /nfs/dbraw/zinc/97/45/90/672974590.db2.gz XUDJLEKHFABRNE-SJLPKXTDSA-N 2 1 357.495 0.245 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC(F)(F)C3)C2)O1 ZINC001051678153 676108349 /nfs/dbraw/zinc/10/83/49/676108349.db2.gz AARSGUNEMSJDPK-VHDGCEQUSA-N 2 1 361.433 0.568 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CC(F)(F)C3)C2)O1 ZINC001051678153 676108350 /nfs/dbraw/zinc/10/83/50/676108350.db2.gz AARSGUNEMSJDPK-VHDGCEQUSA-N 2 1 361.433 0.568 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)c(C)o1 ZINC001051624975 676107217 /nfs/dbraw/zinc/10/72/17/676107217.db2.gz WWABTMGBNXFJDF-DAXOMENPSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)c(C)o1 ZINC001051624975 676107218 /nfs/dbraw/zinc/10/72/18/676107218.db2.gz WWABTMGBNXFJDF-DAXOMENPSA-N 2 1 350.463 0.949 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001052395078 676122713 /nfs/dbraw/zinc/12/27/13/676122713.db2.gz KJTJTQHUEIBLQG-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC001052395078 676122717 /nfs/dbraw/zinc/12/27/17/676122717.db2.gz KJTJTQHUEIBLQG-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC001052395078 676122719 /nfs/dbraw/zinc/12/27/19/676122719.db2.gz KJTJTQHUEIBLQG-BHYGNILZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001052395079 676122928 /nfs/dbraw/zinc/12/29/28/676122928.db2.gz KJTJTQHUEIBLQG-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC001052395079 676122930 /nfs/dbraw/zinc/12/29/30/676122930.db2.gz KJTJTQHUEIBLQG-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC001052395079 676122932 /nfs/dbraw/zinc/12/29/32/676122932.db2.gz KJTJTQHUEIBLQG-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883036107 673364241 /nfs/dbraw/zinc/36/42/41/673364241.db2.gz ZXRHPFDDSSUSGC-KRWDZBQOSA-N 2 1 354.495 0.651 20 0 FCADMP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230571 673440216 /nfs/dbraw/zinc/44/02/16/673440216.db2.gz VDWIQDCANUIVGE-RHSMWYFYSA-N 2 1 351.447 0.758 20 0 FCADMP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230571 673440218 /nfs/dbraw/zinc/44/02/18/673440218.db2.gz VDWIQDCANUIVGE-RHSMWYFYSA-N 2 1 351.447 0.758 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884486258 673456655 /nfs/dbraw/zinc/45/66/55/673456655.db2.gz RQKLFLMXNLHLKJ-ILXRZTDVSA-N 2 1 362.499 0.649 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H]1C[NH3+] ZINC000884508171 673458330 /nfs/dbraw/zinc/45/83/30/673458330.db2.gz WSNNONAHMUCOIV-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884546179 673461079 /nfs/dbraw/zinc/46/10/79/673461079.db2.gz CHTAKOHGAUBXBP-RYUDHWBXSA-N 2 1 352.401 0.430 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571365 673462876 /nfs/dbraw/zinc/46/28/76/673462876.db2.gz NKECMSVBSWMDBJ-DEYYWGMASA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571365 673462878 /nfs/dbraw/zinc/46/28/78/673462878.db2.gz NKECMSVBSWMDBJ-DEYYWGMASA-N 2 1 354.495 0.045 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000884631477 673468074 /nfs/dbraw/zinc/46/80/74/673468074.db2.gz LRKOBSNBOPMSBH-AGIUHOORSA-N 2 1 362.396 0.183 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884637691 673468689 /nfs/dbraw/zinc/46/86/89/673468689.db2.gz XPMMEJRUANARHY-SFHVURJKSA-N 2 1 354.495 0.063 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884637098 673468773 /nfs/dbraw/zinc/46/87/73/673468773.db2.gz AOMTUTQPNLSTJV-GOSISDBHSA-N 2 1 356.511 0.294 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000884640898 673468987 /nfs/dbraw/zinc/46/89/87/673468987.db2.gz UDFVGYUKRMARKZ-IBGZPJMESA-N 2 1 350.507 0.969 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000884888359 673488889 /nfs/dbraw/zinc/48/88/89/673488889.db2.gz WCJGPGFTNKKNKG-MRXNPFEDSA-N 2 1 364.515 0.228 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884909207 673490511 /nfs/dbraw/zinc/49/05/11/673490511.db2.gz UBMMVSGMLLOKPZ-XIRDDKMYSA-N 2 1 350.507 0.810 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884954335 673493145 /nfs/dbraw/zinc/49/31/45/673493145.db2.gz CMLLYQBMVBXXBZ-JKSUJKDBSA-N 2 1 369.535 0.967 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884974130 673495050 /nfs/dbraw/zinc/49/50/50/673495050.db2.gz NDQKCNKHESQPJT-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC[C@H]21 ZINC000885286344 673512236 /nfs/dbraw/zinc/51/22/36/673512236.db2.gz WOAAXJBOYJCJDH-HZSPNIEDSA-N 2 1 358.433 0.290 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000886872086 673604686 /nfs/dbraw/zinc/60/46/86/673604686.db2.gz IVQATRQMQYOXLV-GOSISDBHSA-N 2 1 352.479 0.753 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000886872086 673604688 /nfs/dbraw/zinc/60/46/88/673604688.db2.gz IVQATRQMQYOXLV-GOSISDBHSA-N 2 1 352.479 0.753 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000888026143 673664500 /nfs/dbraw/zinc/66/45/00/673664500.db2.gz POZOPKOESSYRBX-UONOGXRCSA-N 2 1 350.467 0.589 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446145 673752655 /nfs/dbraw/zinc/75/26/55/673752655.db2.gz XQCIMWFGQMPMKA-HOTGVXAUSA-N 2 1 352.479 0.750 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446145 673752659 /nfs/dbraw/zinc/75/26/59/673752659.db2.gz XQCIMWFGQMPMKA-HOTGVXAUSA-N 2 1 352.479 0.750 20 0 FCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704471 673761403 /nfs/dbraw/zinc/76/14/03/673761403.db2.gz FLVPFQNHFUYGKB-KGLIPLIRSA-N 2 1 353.488 0.938 20 0 FCADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)[C@@H]1C(C)C ZINC000926249046 673817927 /nfs/dbraw/zinc/81/79/27/673817927.db2.gz CHZULVXNYKXZMH-GJGATLCTSA-N 2 1 353.507 0.693 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)[C@@H]1C(C)C ZINC000926249046 673817928 /nfs/dbraw/zinc/81/79/28/673817928.db2.gz CHZULVXNYKXZMH-GJGATLCTSA-N 2 1 353.507 0.693 20 0 FCADMP CC[NH+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)[C@@H]1C(C)C ZINC000926249046 673817931 /nfs/dbraw/zinc/81/79/31/673817931.db2.gz CHZULVXNYKXZMH-GJGATLCTSA-N 2 1 353.507 0.693 20 0 FCADMP CC[NH+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)[C@@H]1C(C)C ZINC000926249046 673817932 /nfs/dbraw/zinc/81/79/32/673817932.db2.gz CHZULVXNYKXZMH-GJGATLCTSA-N 2 1 353.507 0.693 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000926304474 673821264 /nfs/dbraw/zinc/82/12/64/673821264.db2.gz TXFWHOFOPGBVLJ-OAHLLOKOSA-N 2 1 364.515 0.632 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@@H]1CCOC1 ZINC000927520321 673865255 /nfs/dbraw/zinc/86/52/55/673865255.db2.gz WNWXQPFHEDLJFT-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927630159 673870976 /nfs/dbraw/zinc/87/09/76/673870976.db2.gz NFQORMBIRPBWIX-HOCLYGCPSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927630159 673870977 /nfs/dbraw/zinc/87/09/77/673870977.db2.gz NFQORMBIRPBWIX-HOCLYGCPSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927630159 673870980 /nfs/dbraw/zinc/87/09/80/673870980.db2.gz NFQORMBIRPBWIX-HOCLYGCPSA-N 2 1 354.495 0.384 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642838 673874930 /nfs/dbraw/zinc/87/49/30/673874930.db2.gz ZAGFULGSCBEKCM-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927642838 673874932 /nfs/dbraw/zinc/87/49/32/673874932.db2.gz ZAGFULGSCBEKCM-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929509336 673960272 /nfs/dbraw/zinc/96/02/72/673960272.db2.gz JPLGBPBKNUFWGS-RDJZCZTQSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929509336 673960273 /nfs/dbraw/zinc/96/02/73/673960273.db2.gz JPLGBPBKNUFWGS-RDJZCZTQSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929509336 673960275 /nfs/dbraw/zinc/96/02/75/673960275.db2.gz JPLGBPBKNUFWGS-RDJZCZTQSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929509336 673960278 /nfs/dbraw/zinc/96/02/78/673960278.db2.gz JPLGBPBKNUFWGS-RDJZCZTQSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756375 673975376 /nfs/dbraw/zinc/97/53/76/673975376.db2.gz UYGZXQQWZMLICC-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756375 673975378 /nfs/dbraw/zinc/97/53/78/673975378.db2.gz UYGZXQQWZMLICC-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000929756375 673975379 /nfs/dbraw/zinc/97/53/79/673975379.db2.gz UYGZXQQWZMLICC-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000929756375 673975381 /nfs/dbraw/zinc/97/53/81/673975381.db2.gz UYGZXQQWZMLICC-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)N2CCC2)CC[N@H+]1C ZINC000968866621 675242135 /nfs/dbraw/zinc/24/21/35/675242135.db2.gz KZYBGLMOHCKESC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC000968866621 675242137 /nfs/dbraw/zinc/24/21/37/675242137.db2.gz KZYBGLMOHCKESC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC000968866621 675242139 /nfs/dbraw/zinc/24/21/39/675242139.db2.gz KZYBGLMOHCKESC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001007368287 675288153 /nfs/dbraw/zinc/28/81/53/675288153.db2.gz DAHXSEYQSBJGDY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001007368287 675288159 /nfs/dbraw/zinc/28/81/59/675288159.db2.gz DAHXSEYQSBJGDY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001007368287 675288163 /nfs/dbraw/zinc/28/81/63/675288163.db2.gz DAHXSEYQSBJGDY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001007368287 675288165 /nfs/dbraw/zinc/28/81/65/675288165.db2.gz DAHXSEYQSBJGDY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001007368287 675288168 /nfs/dbraw/zinc/28/81/68/675288168.db2.gz DAHXSEYQSBJGDY-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001007376375 675288505 /nfs/dbraw/zinc/28/85/05/675288505.db2.gz JHLKOWHWEDQLSN-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001017487435 675411895 /nfs/dbraw/zinc/41/18/95/675411895.db2.gz OQLWJFLZPBKKOH-DJIMGWMZSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)CC[N@H+]1C ZINC001020170928 675436210 /nfs/dbraw/zinc/43/62/10/675436210.db2.gz DNGCYYFNCLPTNN-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@H+]1C ZINC001020171875 675436587 /nfs/dbraw/zinc/43/65/87/675436587.db2.gz AOQNOPXZYGSMFN-QCODTGAPSA-N 2 1 350.507 0.963 20 0 FCADMP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001042737507 675542460 /nfs/dbraw/zinc/54/24/60/675542460.db2.gz KHXZKOKMAHDAOI-OLMNPRSZSA-N 2 1 353.507 0.911 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001045441002 675653871 /nfs/dbraw/zinc/65/38/71/675653871.db2.gz UCYUPNKEAZRMEM-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479219 675654425 /nfs/dbraw/zinc/65/44/25/675654425.db2.gz XJMJPIRACNJMQD-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479219 675654426 /nfs/dbraw/zinc/65/44/26/675654426.db2.gz XJMJPIRACNJMQD-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCOC)C3)CC2)CC[N@H+]1C ZINC001046032465 675681087 /nfs/dbraw/zinc/68/10/87/675681087.db2.gz KGYKJQBCDPEETG-OKZBNKHCSA-N 2 1 352.523 0.582 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CCOC)C3)CC2)CC[NH+]1C ZINC001046032465 675681089 /nfs/dbraw/zinc/68/10/89/675681089.db2.gz KGYKJQBCDPEETG-OKZBNKHCSA-N 2 1 352.523 0.582 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCOC)C3)CC2)CC[NH+]1C ZINC001046032465 675681092 /nfs/dbraw/zinc/68/10/92/675681092.db2.gz KGYKJQBCDPEETG-OKZBNKHCSA-N 2 1 352.523 0.582 20 0 FCADMP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900805749 675718408 /nfs/dbraw/zinc/71/84/08/675718408.db2.gz QERVLAMKDXAPRT-SJORKVTESA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001047385069 675795783 /nfs/dbraw/zinc/79/57/83/675795783.db2.gz WWSOJJYAUGWMCF-BGTYHANMSA-N 2 1 353.507 0.647 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001047385069 675795785 /nfs/dbraw/zinc/79/57/85/675795785.db2.gz WWSOJJYAUGWMCF-BGTYHANMSA-N 2 1 353.507 0.647 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001047385069 675795787 /nfs/dbraw/zinc/79/57/87/675795787.db2.gz WWSOJJYAUGWMCF-BGTYHANMSA-N 2 1 353.507 0.647 20 0 FCADMP Cc1ncc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001047384994 675795824 /nfs/dbraw/zinc/79/58/24/675795824.db2.gz RMLCHXHWZSLWDC-FWYOQMDTSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1ncc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001047384994 675795826 /nfs/dbraw/zinc/79/58/26/675795826.db2.gz RMLCHXHWZSLWDC-FWYOQMDTSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001047384994 675795828 /nfs/dbraw/zinc/79/58/28/675795828.db2.gz RMLCHXHWZSLWDC-FWYOQMDTSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001047384994 675795830 /nfs/dbraw/zinc/79/58/30/675795830.db2.gz RMLCHXHWZSLWDC-FWYOQMDTSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000969123670 1167733605 /nfs/dbraw/zinc/73/36/05/1167733605.db2.gz QPWBRLDOSHQDTJ-MXASKKJJSA-N 2 1 359.474 0.734 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000969123670 1167733615 /nfs/dbraw/zinc/73/36/15/1167733615.db2.gz QPWBRLDOSHQDTJ-MXASKKJJSA-N 2 1 359.474 0.734 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969950152 1168230556 /nfs/dbraw/zinc/23/05/56/1168230556.db2.gz UDDGGWCEDAAPAE-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969950152 1168230573 /nfs/dbraw/zinc/23/05/73/1168230573.db2.gz UDDGGWCEDAAPAE-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193675 1168276215 /nfs/dbraw/zinc/27/62/15/1168276215.db2.gz COEJATFJTXDKPN-ZYSHUDEJSA-N 2 1 361.486 0.697 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104265051 1168847301 /nfs/dbraw/zinc/84/73/01/1168847301.db2.gz QXKNUZJWLLXJKN-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001021235599 1168848321 /nfs/dbraw/zinc/84/83/21/1168848321.db2.gz JWFZVBPJYSWTRT-JCGIZDLHSA-N 2 1 371.485 0.915 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001021262665 1168883244 /nfs/dbraw/zinc/88/32/44/1168883244.db2.gz VAVWOZFOGUDQDR-VAQLIOGMSA-N 2 1 362.478 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001021262665 1168883250 /nfs/dbraw/zinc/88/32/50/1168883250.db2.gz VAVWOZFOGUDQDR-VAQLIOGMSA-N 2 1 362.478 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001021262665 1168883251 /nfs/dbraw/zinc/88/32/51/1168883251.db2.gz VAVWOZFOGUDQDR-VAQLIOGMSA-N 2 1 362.478 0.060 20 0 FCADMP COCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289100 1169395248 /nfs/dbraw/zinc/39/52/48/1169395248.db2.gz FFHWJNWTHHVHDR-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001021712182 1169913471 /nfs/dbraw/zinc/91/34/71/1169913471.db2.gz JRWCSQVCKXZZID-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001021712182 1169913510 /nfs/dbraw/zinc/91/35/10/1169913510.db2.gz JRWCSQVCKXZZID-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891339456 1169962237 /nfs/dbraw/zinc/96/22/37/1169962237.db2.gz BBTVVSSIHBMAOV-KRWDZBQOSA-N 2 1 367.538 0.470 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751542 1169979588 /nfs/dbraw/zinc/97/95/88/1169979588.db2.gz HZJIUQOABBWQSS-OKZBNKHCSA-N 2 1 371.485 0.593 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000891356807 1170016234 /nfs/dbraw/zinc/01/62/34/1170016234.db2.gz RZXWOOGTRPBNMG-UHFFFAOYSA-N 2 1 369.554 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@H+]1C ZINC001021802006 1170076349 /nfs/dbraw/zinc/07/63/49/1170076349.db2.gz SGMXKCREOZDRRA-YYIAUSFCSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC001021802636 1170076564 /nfs/dbraw/zinc/07/65/64/1170076564.db2.gz ICSWZGAXPOKHKH-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001021898760 1170268360 /nfs/dbraw/zinc/26/83/60/1170268360.db2.gz CJVXDRQJGLFNSZ-YESZJQIVSA-N 2 1 371.485 0.916 20 0 FCADMP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001104375320 1170740182 /nfs/dbraw/zinc/74/01/82/1170740182.db2.gz FYOKHVHAFHLISH-NFAWXSAZSA-N 2 1 365.478 0.688 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022213096 1170758611 /nfs/dbraw/zinc/75/86/11/1170758611.db2.gz YBJPAWJDZXAWJM-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022213096 1170758623 /nfs/dbraw/zinc/75/86/23/1170758623.db2.gz YBJPAWJDZXAWJM-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001087167212 1170772374 /nfs/dbraw/zinc/77/23/74/1170772374.db2.gz YHXRNYKVWLZUAA-FHLIZLRMSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC001022275789 1170824211 /nfs/dbraw/zinc/82/42/11/1170824211.db2.gz RWMLTODEMFRRNR-ZXFNITATSA-N 2 1 361.490 0.675 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC001022275789 1170824212 /nfs/dbraw/zinc/82/42/12/1170824212.db2.gz RWMLTODEMFRRNR-ZXFNITATSA-N 2 1 361.490 0.675 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000891714042 1170833361 /nfs/dbraw/zinc/83/33/61/1170833361.db2.gz KMBNEQRQDPFRAD-IRXDYDNUSA-N 2 1 358.490 0.679 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)O1 ZINC000891728725 1170837230 /nfs/dbraw/zinc/83/72/30/1170837230.db2.gz OKCIWMRVQJNOMJ-XMTFNYHQSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)O1 ZINC000891728725 1170837231 /nfs/dbraw/zinc/83/72/31/1170837231.db2.gz OKCIWMRVQJNOMJ-XMTFNYHQSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@H](C)O1 ZINC000891728725 1170837233 /nfs/dbraw/zinc/83/72/33/1170837233.db2.gz OKCIWMRVQJNOMJ-XMTFNYHQSA-N 2 1 368.522 0.726 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001083224748 1170837668 /nfs/dbraw/zinc/83/76/68/1170837668.db2.gz OUBKHIURCGOTNQ-OKZBNKHCSA-N 2 1 367.490 0.047 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001083224748 1170837670 /nfs/dbraw/zinc/83/76/70/1170837670.db2.gz OUBKHIURCGOTNQ-OKZBNKHCSA-N 2 1 367.490 0.047 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001691217101 1170862482 /nfs/dbraw/zinc/86/24/82/1170862482.db2.gz WHNRCTSMHLIDKK-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001691217101 1170862491 /nfs/dbraw/zinc/86/24/91/1170862491.db2.gz WHNRCTSMHLIDKK-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000891830652 1170892351 /nfs/dbraw/zinc/89/23/51/1170892351.db2.gz SQDVGWCYZUFILX-MRXNPFEDSA-N 2 1 360.506 0.974 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)C1 ZINC001691268596 1171003394 /nfs/dbraw/zinc/00/33/94/1171003394.db2.gz VKBQJEHIKLWAKY-MELADBBJSA-N 2 1 365.503 0.908 20 0 FCADMP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cn2)CC1 ZINC000891860420 1171008094 /nfs/dbraw/zinc/00/80/94/1171008094.db2.gz GPNHVARGGSUUPT-HDICACEKSA-N 2 1 372.517 0.927 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000891952199 1171207878 /nfs/dbraw/zinc/20/78/78/1171207878.db2.gz FCWFVMBAGRBSSR-INIZCTEOSA-N 2 1 368.522 0.945 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022718348 1171808770 /nfs/dbraw/zinc/80/87/70/1171808770.db2.gz TWKUMJNZAMOHGU-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022718348 1171808771 /nfs/dbraw/zinc/80/87/71/1171808771.db2.gz TWKUMJNZAMOHGU-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001022746300 1171852644 /nfs/dbraw/zinc/85/26/44/1171852644.db2.gz LTRWYWSATUIWON-HCXYKTFWSA-N 2 1 370.497 0.801 20 0 FCADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001022747278 1171855308 /nfs/dbraw/zinc/85/53/08/1171855308.db2.gz AHJIOTJGWRRJBS-WKULXVSPSA-N 2 1 358.486 0.833 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087213199 1171868690 /nfs/dbraw/zinc/86/86/90/1171868690.db2.gz JKYFQUAKYHOVCC-CABCVRRESA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087213199 1171868695 /nfs/dbraw/zinc/86/86/95/1171868695.db2.gz JKYFQUAKYHOVCC-CABCVRRESA-N 2 1 363.510 0.659 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC000972238974 1171878380 /nfs/dbraw/zinc/87/83/80/1171878380.db2.gz XFZCZCLBIWUCLI-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000972253820 1171889058 /nfs/dbraw/zinc/88/90/58/1171889058.db2.gz CDFRQSZBZLZIJR-KZNAEPCWSA-N 2 1 371.485 0.593 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249502 1172021141 /nfs/dbraw/zinc/02/11/41/1172021141.db2.gz ICAJFSTZKXWAAN-RRFJBIMHSA-N 2 1 371.428 0.418 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249502 1172021149 /nfs/dbraw/zinc/02/11/49/1172021149.db2.gz ICAJFSTZKXWAAN-RRFJBIMHSA-N 2 1 371.428 0.418 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC000972418094 1172101774 /nfs/dbraw/zinc/10/17/74/1172101774.db2.gz WMAXEXPQROHAAJ-QBPKDAKJSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000988810260 1192517838 /nfs/dbraw/zinc/51/78/38/1192517838.db2.gz CEZMIRZZCRLACU-IPYPFGDCSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988810260 1192517845 /nfs/dbraw/zinc/51/78/45/1192517845.db2.gz CEZMIRZZCRLACU-IPYPFGDCSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCN1CCNC1=O ZINC001088655550 1192802169 /nfs/dbraw/zinc/80/21/69/1192802169.db2.gz FGAOVAOORNHRQQ-CVEARBPZSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000897649530 1192839959 /nfs/dbraw/zinc/83/99/59/1192839959.db2.gz TVEQATGXMLQKPS-CABCVRRESA-N 2 1 359.474 0.718 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000897863358 1192848735 /nfs/dbraw/zinc/84/87/35/1192848735.db2.gz BZNDKPTTYJOKGI-UHFFFAOYSA-N 2 1 373.501 0.967 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000897863358 1192848737 /nfs/dbraw/zinc/84/87/37/1192848737.db2.gz BZNDKPTTYJOKGI-UHFFFAOYSA-N 2 1 373.501 0.967 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872402 /nfs/dbraw/zinc/87/24/02/1192872402.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 1 361.490 0.480 20 0 FCADMP Cc1nn(C)cc1CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872403 /nfs/dbraw/zinc/87/24/03/1192872403.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 1 361.490 0.480 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1c1ccccc1 ZINC001691556984 1192876411 /nfs/dbraw/zinc/87/64/11/1192876411.db2.gz NZEDKAHGEGZMOU-RBUKOAKNSA-N 2 1 361.486 0.675 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001691564738 1192883813 /nfs/dbraw/zinc/88/38/13/1192883813.db2.gz XFJFQYKIXAGKGK-CVEARBPZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001691564738 1192883814 /nfs/dbraw/zinc/88/38/14/1192883814.db2.gz XFJFQYKIXAGKGK-CVEARBPZSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573125 1192888903 /nfs/dbraw/zinc/88/89/03/1192888903.db2.gz KACNMYQAXRRYBR-PMPSAXMXSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573125 1192888904 /nfs/dbraw/zinc/88/89/04/1192888904.db2.gz KACNMYQAXRRYBR-PMPSAXMXSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)CC(C)(C)C ZINC001691573125 1192888905 /nfs/dbraw/zinc/88/89/05/1192888905.db2.gz KACNMYQAXRRYBR-PMPSAXMXSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001023444889 1179748145 /nfs/dbraw/zinc/74/81/45/1179748145.db2.gz ZLJGAWBHDUMXSH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001023444889 1179748152 /nfs/dbraw/zinc/74/81/52/1179748152.db2.gz ZLJGAWBHDUMXSH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001023444889 1179748160 /nfs/dbraw/zinc/74/81/60/1179748160.db2.gz ZLJGAWBHDUMXSH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001023444889 1179748164 /nfs/dbraw/zinc/74/81/64/1179748164.db2.gz ZLJGAWBHDUMXSH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001023444889 1179748173 /nfs/dbraw/zinc/74/81/73/1179748173.db2.gz ZLJGAWBHDUMXSH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450712 1179751864 /nfs/dbraw/zinc/75/18/64/1179751864.db2.gz JCBLBGQJDUKAMH-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450712 1179751871 /nfs/dbraw/zinc/75/18/71/1179751871.db2.gz JCBLBGQJDUKAMH-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450712 1179751881 /nfs/dbraw/zinc/75/18/81/1179751881.db2.gz JCBLBGQJDUKAMH-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450712 1179751891 /nfs/dbraw/zinc/75/18/91/1179751891.db2.gz JCBLBGQJDUKAMH-QGPMSJSTSA-N 2 1 361.490 0.832 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001087247822 1180001105 /nfs/dbraw/zinc/00/11/05/1180001105.db2.gz BPSHWGIETSGEFV-NJAFHUGGSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001087247822 1180001111 /nfs/dbraw/zinc/00/11/11/1180001111.db2.gz BPSHWGIETSGEFV-NJAFHUGGSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccnn2C)C1 ZINC001087247911 1180001977 /nfs/dbraw/zinc/00/19/77/1180001977.db2.gz GSNCQVZBHNOWER-NJAFHUGGSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccnn2C)C1 ZINC001087247911 1180001984 /nfs/dbraw/zinc/00/19/84/1180001984.db2.gz GSNCQVZBHNOWER-NJAFHUGGSA-N 2 1 363.506 0.858 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023994119 1180730420 /nfs/dbraw/zinc/73/04/20/1180730420.db2.gz YYJATCNJQGGGNR-OWCLPIDISA-N 2 1 363.510 0.922 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211632729 1181293944 /nfs/dbraw/zinc/29/39/44/1181293944.db2.gz JMHYTJQGLQJOLL-ZWKOTPCHSA-N 2 1 369.469 0.864 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001025002246 1181848046 /nfs/dbraw/zinc/84/80/46/1181848046.db2.gz ZLYAHSPLXSNMKL-KBAYOESNSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001025002246 1181848048 /nfs/dbraw/zinc/84/80/48/1181848048.db2.gz ZLYAHSPLXSNMKL-KBAYOESNSA-N 2 1 361.490 0.975 20 0 FCADMP CN(C)c1ccncc1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000972992030 1181857312 /nfs/dbraw/zinc/85/73/12/1181857312.db2.gz GDWBAEVNOJYNQY-RHSMWYFYSA-N 2 1 368.441 0.717 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598955 1181911541 /nfs/dbraw/zinc/91/15/41/1181911541.db2.gz OZQOFTUQBFQALZ-YYIAUSFCSA-N 2 1 363.506 0.465 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000973415416 1182293380 /nfs/dbraw/zinc/29/33/80/1182293380.db2.gz HBYXQGMWXPXAGW-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000973415416 1182293382 /nfs/dbraw/zinc/29/33/82/1182293382.db2.gz HBYXQGMWXPXAGW-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000973415416 1182293389 /nfs/dbraw/zinc/29/33/89/1182293389.db2.gz HBYXQGMWXPXAGW-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000973415416 1182293395 /nfs/dbraw/zinc/29/33/95/1182293395.db2.gz HBYXQGMWXPXAGW-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000892754292 1182474129 /nfs/dbraw/zinc/47/41/29/1182474129.db2.gz ABQHITKHIYUIER-DLBZAZTESA-N 2 1 359.474 0.896 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC[C@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC001025793295 1182844919 /nfs/dbraw/zinc/84/49/19/1182844919.db2.gz DVDLUZVMIXUTJE-CFIJBQEISA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC[C@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC001025793295 1182844924 /nfs/dbraw/zinc/84/49/24/1182844924.db2.gz DVDLUZVMIXUTJE-CFIJBQEISA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC[C@H](C)C4)C[C@H]32)CC[NH+]1C ZINC001025793295 1182844926 /nfs/dbraw/zinc/84/49/26/1182844926.db2.gz DVDLUZVMIXUTJE-CFIJBQEISA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC[C@H](C)C4)C[C@H]32)CC[NH+]1C ZINC001025793295 1182844928 /nfs/dbraw/zinc/84/49/28/1182844928.db2.gz DVDLUZVMIXUTJE-CFIJBQEISA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063293 1182877749 /nfs/dbraw/zinc/87/77/49/1182877749.db2.gz DUNSTGCOIUVHQP-SVMUCYCZSA-N 2 1 370.497 0.642 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001026063293 1182877752 /nfs/dbraw/zinc/87/77/52/1182877752.db2.gz DUNSTGCOIUVHQP-SVMUCYCZSA-N 2 1 370.497 0.642 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001026063293 1182877756 /nfs/dbraw/zinc/87/77/56/1182877756.db2.gz DUNSTGCOIUVHQP-SVMUCYCZSA-N 2 1 370.497 0.642 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCn1cccn1 ZINC001104795849 1182923931 /nfs/dbraw/zinc/92/39/31/1182923931.db2.gz YBNOOURDWQGZEU-QZTJIDSGSA-N 2 1 363.506 0.680 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008327 1183066298 /nfs/dbraw/zinc/06/62/98/1183066298.db2.gz YJKNCERTYFYVNZ-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010634 1183067793 /nfs/dbraw/zinc/06/77/93/1183067793.db2.gz UDRLJIPAJMSHKY-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001105013600 1183068225 /nfs/dbraw/zinc/06/82/25/1183068225.db2.gz OWZBOTHSSFDSIA-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)O1 ZINC000974271958 1183083514 /nfs/dbraw/zinc/08/35/14/1183083514.db2.gz NDYPXGSDCCSADP-MBMVNNNZSA-N 2 1 371.441 0.659 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000974273300 1183085830 /nfs/dbraw/zinc/08/58/30/1183085830.db2.gz LSAAEUOCXWNRNC-LVQVYYBASA-N 2 1 364.490 0.097 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000974273300 1183085838 /nfs/dbraw/zinc/08/58/38/1183085838.db2.gz LSAAEUOCXWNRNC-LVQVYYBASA-N 2 1 364.490 0.097 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001105042550 1183089862 /nfs/dbraw/zinc/08/98/62/1183089862.db2.gz WPWASSQIAUTBEQ-INMHGKMJSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001105042550 1183089866 /nfs/dbraw/zinc/08/98/66/1183089866.db2.gz WPWASSQIAUTBEQ-INMHGKMJSA-N 2 1 364.494 0.110 20 0 FCADMP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066995 1183100515 /nfs/dbraw/zinc/10/05/15/1183100515.db2.gz IIFGZIFBADICQU-HZPDHXFCSA-N 2 1 365.526 0.998 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)CCn4ccnc4)C[C@H]32)C1 ZINC000974574996 1183343051 /nfs/dbraw/zinc/34/30/51/1183343051.db2.gz APDOTACUWZCFPQ-BRWVUGGUSA-N 2 1 359.474 0.674 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000974576971 1183346429 /nfs/dbraw/zinc/34/64/29/1183346429.db2.gz PDLYSMPVELXBEX-CGTJXYLNSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@H+]1C ZINC000974593939 1183371663 /nfs/dbraw/zinc/37/16/63/1183371663.db2.gz QTLVDCKNUAGDAQ-XMTFNYHQSA-N 2 1 374.529 0.872 20 0 FCADMP c1cc(NCC[N@H+]2CCCOCC2)nc(NCC[NH+]2CCCOCC2)n1 ZINC000893382900 1183405746 /nfs/dbraw/zinc/40/57/46/1183405746.db2.gz LSAUIJITTAHFEN-UHFFFAOYSA-N 2 1 364.494 0.745 20 0 FCADMP c1cc(NCC[NH+]2CCCOCC2)nc(NCC[N@@H+]2CCCOCC2)n1 ZINC000893382900 1183405761 /nfs/dbraw/zinc/40/57/61/1183405761.db2.gz LSAUIJITTAHFEN-UHFFFAOYSA-N 2 1 364.494 0.745 20 0 FCADMP c1cc(NCC[NH+]2CCCOCC2)nc(NCC[N@H+]2CCCOCC2)n1 ZINC000893382900 1183405770 /nfs/dbraw/zinc/40/57/70/1183405770.db2.gz LSAUIJITTAHFEN-UHFFFAOYSA-N 2 1 364.494 0.745 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001026853823 1183425144 /nfs/dbraw/zinc/42/51/44/1183425144.db2.gz SPJMNRKKLLCBJB-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001026853823 1183425149 /nfs/dbraw/zinc/42/51/49/1183425149.db2.gz SPJMNRKKLLCBJB-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026916370 1183490234 /nfs/dbraw/zinc/49/02/34/1183490234.db2.gz GOVRLKZIRGZOIO-BZUAXINKSA-N 2 1 364.494 0.516 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916387 1183490260 /nfs/dbraw/zinc/49/02/60/1183490260.db2.gz HBDJNKADMAFMGM-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916387 1183490265 /nfs/dbraw/zinc/49/02/65/1183490265.db2.gz HBDJNKADMAFMGM-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916072 1183490512 /nfs/dbraw/zinc/49/05/12/1183490512.db2.gz ZXOMYEQPPHXMSP-IIAWOOMASA-N 2 1 363.462 0.142 20 0 FCADMP COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916072 1183490514 /nfs/dbraw/zinc/49/05/14/1183490514.db2.gz ZXOMYEQPPHXMSP-IIAWOOMASA-N 2 1 363.462 0.142 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)C1 ZINC000974723679 1183501541 /nfs/dbraw/zinc/50/15/41/1183501541.db2.gz UKPBTVUXZJNIPM-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC000975208931 1183771785 /nfs/dbraw/zinc/77/17/85/1183771785.db2.gz ZOOHTWIOAHNNDO-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC000975208931 1183771795 /nfs/dbraw/zinc/77/17/95/1183771795.db2.gz ZOOHTWIOAHNNDO-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC000975216107 1183779061 /nfs/dbraw/zinc/77/90/61/1183779061.db2.gz YAMYTCFLQHCABI-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC000975216107 1183779063 /nfs/dbraw/zinc/77/90/63/1183779063.db2.gz YAMYTCFLQHCABI-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000975367863 1183842534 /nfs/dbraw/zinc/84/25/34/1183842534.db2.gz OAPARLLEEHHJJR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000975367863 1183842535 /nfs/dbraw/zinc/84/25/35/1183842535.db2.gz OAPARLLEEHHJJR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975809860 1185813778 /nfs/dbraw/zinc/81/37/78/1185813778.db2.gz YQDSBIRGGJDHHQ-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000975809860 1185813780 /nfs/dbraw/zinc/81/37/80/1185813780.db2.gz YQDSBIRGGJDHHQ-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978692541 1185991003 /nfs/dbraw/zinc/99/10/03/1185991003.db2.gz YUQXZDYGOBMNPM-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978692541 1185991008 /nfs/dbraw/zinc/99/10/08/1185991008.db2.gz YUQXZDYGOBMNPM-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978692541 1185991012 /nfs/dbraw/zinc/99/10/12/1185991012.db2.gz YUQXZDYGOBMNPM-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978692541 1185991016 /nfs/dbraw/zinc/99/10/16/1185991016.db2.gz YUQXZDYGOBMNPM-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423723857 1186044082 /nfs/dbraw/zinc/04/40/82/1186044082.db2.gz HONOXONVSYXSFJ-IBGZPJMESA-N 2 1 362.474 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000979855288 1186131126 /nfs/dbraw/zinc/13/11/26/1186131126.db2.gz CVFBBVTUTLBKMX-QBPKDAKJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000979996826 1186160123 /nfs/dbraw/zinc/16/01/23/1186160123.db2.gz SIDQKEODIUOXNK-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000979996826 1186160130 /nfs/dbraw/zinc/16/01/30/1186160130.db2.gz SIDQKEODIUOXNK-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000979996826 1186160132 /nfs/dbraw/zinc/16/01/32/1186160132.db2.gz SIDQKEODIUOXNK-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000979996826 1186160137 /nfs/dbraw/zinc/16/01/37/1186160137.db2.gz SIDQKEODIUOXNK-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001481519266 1186221365 /nfs/dbraw/zinc/22/13/65/1186221365.db2.gz ZDXKMPKUBSJJCV-HZPDHXFCSA-N 2 1 361.490 0.830 20 0 FCADMP COc1ccnc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001027966804 1186242146 /nfs/dbraw/zinc/24/21/46/1186242146.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001027966804 1186242152 /nfs/dbraw/zinc/24/21/52/1186242152.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 1 362.474 0.890 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000981466296 1186420550 /nfs/dbraw/zinc/42/05/50/1186420550.db2.gz DRVHXKJAHUDGTO-XLNGHYISSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000981466296 1186420552 /nfs/dbraw/zinc/42/05/52/1186420552.db2.gz DRVHXKJAHUDGTO-XLNGHYISSA-N 2 1 361.490 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCCN(C)C2=O)C3)CC[N@H+]1C ZINC000981776823 1186517280 /nfs/dbraw/zinc/51/72/80/1186517280.db2.gz XNUCLKMBYQPLST-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+]([C@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC000981776823 1186517285 /nfs/dbraw/zinc/51/72/85/1186517285.db2.gz XNUCLKMBYQPLST-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC000981776823 1186517289 /nfs/dbraw/zinc/51/72/89/1186517289.db2.gz XNUCLKMBYQPLST-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCN2CCNC2=O)C3)CC[N@H+]1C ZINC000981776609 1186517414 /nfs/dbraw/zinc/51/74/14/1186517414.db2.gz RYDZCVMETOQCOI-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCN2CCNC2=O)C3)CC[NH+]1C ZINC000981776609 1186517417 /nfs/dbraw/zinc/51/74/17/1186517417.db2.gz RYDZCVMETOQCOI-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCN2CCNC2=O)C3)CC[NH+]1C ZINC000981776609 1186517420 /nfs/dbraw/zinc/51/74/20/1186517420.db2.gz RYDZCVMETOQCOI-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC000982030963 1186638188 /nfs/dbraw/zinc/63/81/88/1186638188.db2.gz NXGLUDNUCKGJGZ-MSOLQXFVSA-N 2 1 370.497 0.742 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC000982030963 1186638193 /nfs/dbraw/zinc/63/81/93/1186638193.db2.gz NXGLUDNUCKGJGZ-MSOLQXFVSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC000982030963 1186638198 /nfs/dbraw/zinc/63/81/98/1186638198.db2.gz NXGLUDNUCKGJGZ-MSOLQXFVSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)[C@@H](c2ccccc2)C1 ZINC000982030963 1186638200 /nfs/dbraw/zinc/63/82/00/1186638200.db2.gz NXGLUDNUCKGJGZ-MSOLQXFVSA-N 2 1 370.497 0.742 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982570730 1187584332 /nfs/dbraw/zinc/58/43/32/1187584332.db2.gz DQEGYJXHCSHXCL-WJJKDBDQSA-N 2 1 371.485 0.583 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3ncc[nH]3)C2)O1 ZINC000982696149 1187619664 /nfs/dbraw/zinc/61/96/64/1187619664.db2.gz OFRHSVKGAKKVKM-RBSFLKMASA-N 2 1 363.462 0.026 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3ncc[nH]3)C2)O1 ZINC000982696149 1187619667 /nfs/dbraw/zinc/61/96/67/1187619667.db2.gz OFRHSVKGAKKVKM-RBSFLKMASA-N 2 1 363.462 0.026 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000982827816 1187741513 /nfs/dbraw/zinc/74/15/13/1187741513.db2.gz NWMNRXOHANJAEX-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000982896947 1187776826 /nfs/dbraw/zinc/77/68/26/1187776826.db2.gz JEICTVTWAKBUOX-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000982896947 1187776830 /nfs/dbraw/zinc/77/68/30/1187776830.db2.gz JEICTVTWAKBUOX-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000982896947 1187776840 /nfs/dbraw/zinc/77/68/40/1187776840.db2.gz JEICTVTWAKBUOX-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000982896947 1187776845 /nfs/dbraw/zinc/77/68/45/1187776845.db2.gz JEICTVTWAKBUOX-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549978743 1187973961 /nfs/dbraw/zinc/97/39/61/1187973961.db2.gz GTCJENGIZMUGMI-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001270117945 1188019548 /nfs/dbraw/zinc/01/95/48/1188019548.db2.gz CORBKIWWFQDANM-NVXWUHKLSA-N 2 1 365.522 0.570 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332601 1188101352 /nfs/dbraw/zinc/10/13/52/1188101352.db2.gz KMGKVLBJBZNPNV-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc5c[nH+]cn54)CC3)[C@@H]2C1 ZINC001270368002 1188121037 /nfs/dbraw/zinc/12/10/37/1188121037.db2.gz DOCPVJPWFHFMEH-HUUCEWRRSA-N 2 1 353.426 0.617 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000550035931 1188214034 /nfs/dbraw/zinc/21/40/34/1188214034.db2.gz LUKVAJYEJVGHSY-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095027 1188223245 /nfs/dbraw/zinc/22/32/45/1188223245.db2.gz HXGKMOXMIHZLLU-IRXDYDNUSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550095027 1188223249 /nfs/dbraw/zinc/22/32/49/1188223249.db2.gz HXGKMOXMIHZLLU-IRXDYDNUSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000550096970 1188224443 /nfs/dbraw/zinc/22/44/43/1188224443.db2.gz RDCHUAUHXDUEIO-INIZCTEOSA-N 2 1 368.522 0.402 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550270932 1188251973 /nfs/dbraw/zinc/25/19/73/1188251973.db2.gz GBNZMECCNUNUQZ-KRWDZBQOSA-N 2 1 368.522 0.596 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550270932 1188251975 /nfs/dbraw/zinc/25/19/75/1188251975.db2.gz GBNZMECCNUNUQZ-KRWDZBQOSA-N 2 1 368.522 0.596 20 0 FCADMP Cc1nonc1C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111159 1188291352 /nfs/dbraw/zinc/29/13/52/1188291352.db2.gz BZQKZDZEWORYHR-PBFPGSCMSA-N 2 1 365.478 0.814 20 0 FCADMP Cc1nonc1C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111159 1188291357 /nfs/dbraw/zinc/29/13/57/1188291357.db2.gz BZQKZDZEWORYHR-PBFPGSCMSA-N 2 1 365.478 0.814 20 0 FCADMP C[C@@H]([NH2+]Cc1ncnn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111595 1188293898 /nfs/dbraw/zinc/29/38/98/1188293898.db2.gz KXSONAKYFUMZPO-IIAWOOMASA-N 2 1 364.494 0.251 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C(C)C ZINC000550349022 1188341469 /nfs/dbraw/zinc/34/14/69/1188341469.db2.gz SYBJFDZNEOVKKU-UHFFFAOYSA-N 2 1 369.554 0.317 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000550371456 1188343194 /nfs/dbraw/zinc/34/31/94/1188343194.db2.gz AHXZYZHTOMWYSJ-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001746848445 1188361767 /nfs/dbraw/zinc/36/17/67/1188361767.db2.gz OSFGJLFPKCOBMY-OAGGEKHMSA-N 2 1 352.523 0.925 20 0 FCADMP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001075798871 1188423125 /nfs/dbraw/zinc/42/31/25/1188423125.db2.gz REZCJNJCUONFNS-RYQLBKOJSA-N 2 1 360.502 0.482 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001075798871 1188423128 /nfs/dbraw/zinc/42/31/28/1188423128.db2.gz REZCJNJCUONFNS-RYQLBKOJSA-N 2 1 360.502 0.482 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984015272 1189372741 /nfs/dbraw/zinc/37/27/41/1189372741.db2.gz NXCYMORHPXNPCB-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984015272 1189372747 /nfs/dbraw/zinc/37/27/47/1189372747.db2.gz NXCYMORHPXNPCB-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299089 1189825308 /nfs/dbraw/zinc/82/53/08/1189825308.db2.gz QPUSOGRPARVVFX-IRXDYDNUSA-N 2 1 366.506 0.746 20 0 FCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299089 1189825310 /nfs/dbraw/zinc/82/53/10/1189825310.db2.gz QPUSOGRPARVVFX-IRXDYDNUSA-N 2 1 366.506 0.746 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)cc1=O ZINC001087908546 1189894183 /nfs/dbraw/zinc/89/41/83/1189894183.db2.gz FUFOFCRNOGVVQE-SQNIBIBYSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)cc1=O ZINC001087908546 1189894186 /nfs/dbraw/zinc/89/41/86/1189894186.db2.gz FUFOFCRNOGVVQE-SQNIBIBYSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)cc1=O ZINC001087908546 1189894188 /nfs/dbraw/zinc/89/41/88/1189894188.db2.gz FUFOFCRNOGVVQE-SQNIBIBYSA-N 2 1 358.486 0.760 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920358 1189903544 /nfs/dbraw/zinc/90/35/44/1189903544.db2.gz MEHOYYYNFMBKSF-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920358 1189903547 /nfs/dbraw/zinc/90/35/47/1189903547.db2.gz MEHOYYYNFMBKSF-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920358 1189903549 /nfs/dbraw/zinc/90/35/49/1189903549.db2.gz MEHOYYYNFMBKSF-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920358 1189903552 /nfs/dbraw/zinc/90/35/52/1189903552.db2.gz MEHOYYYNFMBKSF-QYZOEREBSA-N 2 1 365.518 0.914 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964066 1190010658 /nfs/dbraw/zinc/01/06/58/1190010658.db2.gz UZIKYUJIGDFWRI-SQNIBIBYSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964066 1190010663 /nfs/dbraw/zinc/01/06/63/1190010663.db2.gz UZIKYUJIGDFWRI-SQNIBIBYSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087964066 1190010665 /nfs/dbraw/zinc/01/06/65/1190010665.db2.gz UZIKYUJIGDFWRI-SQNIBIBYSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000896230652 1190014247 /nfs/dbraw/zinc/01/42/47/1190014247.db2.gz QZOKTVBHGJTBTC-UHFFFAOYSA-N 2 1 365.522 0.618 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)NC1CC1 ZINC001087967671 1190025547 /nfs/dbraw/zinc/02/55/47/1190025547.db2.gz GOCZPHHYXWBMKE-SOLBZPMBSA-N 2 1 360.502 0.387 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)N1CCC1 ZINC001087993897 1190147312 /nfs/dbraw/zinc/14/73/12/1190147312.db2.gz IZPRRLQUXHFBHQ-IXDOHACOSA-N 2 1 371.485 0.773 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)N1CCC1 ZINC001087993897 1190147315 /nfs/dbraw/zinc/14/73/15/1190147315.db2.gz IZPRRLQUXHFBHQ-IXDOHACOSA-N 2 1 371.485 0.773 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027953 1190267054 /nfs/dbraw/zinc/26/70/54/1190267054.db2.gz NVSDMSKKELNZSH-BMFZPTHFSA-N 2 1 355.442 0.863 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041653 1190300127 /nfs/dbraw/zinc/30/01/27/1190300127.db2.gz CGFWBUXUNUPLRK-ZBFHGGJFSA-N 2 1 355.442 0.816 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088042897 1190301275 /nfs/dbraw/zinc/30/12/75/1190301275.db2.gz NQYORXLRBRDWMA-IKGGRYGDSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088042897 1190301278 /nfs/dbraw/zinc/30/12/78/1190301278.db2.gz NQYORXLRBRDWMA-IKGGRYGDSA-N 2 1 369.473 0.751 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001271211629 1190359576 /nfs/dbraw/zinc/35/95/76/1190359576.db2.gz OTQGJJCVCNGXFS-HNNXBMFYSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105962 1190591991 /nfs/dbraw/zinc/59/19/91/1190591991.db2.gz JMINPARZQPWAMN-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105962 1190592002 /nfs/dbraw/zinc/59/20/02/1190592002.db2.gz JMINPARZQPWAMN-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105962 1190592009 /nfs/dbraw/zinc/59/20/09/1190592009.db2.gz JMINPARZQPWAMN-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106599 1190594107 /nfs/dbraw/zinc/59/41/07/1190594107.db2.gz IYTKYUZAZSJVCQ-ZACQAIPSSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106599 1190594115 /nfs/dbraw/zinc/59/41/15/1190594115.db2.gz IYTKYUZAZSJVCQ-ZACQAIPSSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106599 1190594117 /nfs/dbraw/zinc/59/41/17/1190594117.db2.gz IYTKYUZAZSJVCQ-ZACQAIPSSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150695 1190674453 /nfs/dbraw/zinc/67/44/53/1190674453.db2.gz RKNFNANJYOVFMH-KURKYZTESA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)CCC1 ZINC000985825647 1190825133 /nfs/dbraw/zinc/82/51/33/1190825133.db2.gz CSEWQJFQHXBNQO-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830784 1190828552 /nfs/dbraw/zinc/82/85/52/1190828552.db2.gz IKJUHZJVMLZCLQ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830784 1190828559 /nfs/dbraw/zinc/82/85/59/1190828559.db2.gz IKJUHZJVMLZCLQ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830784 1190828561 /nfs/dbraw/zinc/82/85/61/1190828561.db2.gz IKJUHZJVMLZCLQ-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)CCO1 ZINC001168118133 1190837086 /nfs/dbraw/zinc/83/70/86/1190837086.db2.gz ONRSWLYLCGLOHM-LSDHHAIUSA-N 2 1 361.490 0.733 20 0 FCADMP C[C@H]1C[C@H](N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)CCO1 ZINC001168118133 1190837087 /nfs/dbraw/zinc/83/70/87/1190837087.db2.gz ONRSWLYLCGLOHM-LSDHHAIUSA-N 2 1 361.490 0.733 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)CC[C@@H]3C2)C1 ZINC000986135790 1190906002 /nfs/dbraw/zinc/90/60/02/1190906002.db2.gz WRORWUMOJDVFKW-IKGGRYGDSA-N 2 1 360.502 0.341 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001272021044 1190924777 /nfs/dbraw/zinc/92/47/77/1190924777.db2.gz ADQXATQTUNNADO-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001272021044 1190924782 /nfs/dbraw/zinc/92/47/82/1190924782.db2.gz ADQXATQTUNNADO-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001272021042 1190925029 /nfs/dbraw/zinc/92/50/29/1190925029.db2.gz ADQXATQTUNNADO-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001272021042 1190925031 /nfs/dbraw/zinc/92/50/31/1190925031.db2.gz ADQXATQTUNNADO-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282524 1190944446 /nfs/dbraw/zinc/94/44/46/1190944446.db2.gz ICKQAWPZSDGIEA-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282524 1190944447 /nfs/dbraw/zinc/94/44/47/1190944447.db2.gz ICKQAWPZSDGIEA-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1)C1CCC1 ZINC000986282524 1190944449 /nfs/dbraw/zinc/94/44/49/1190944449.db2.gz ICKQAWPZSDGIEA-RYRKJORJSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)C1 ZINC000986423714 1190986047 /nfs/dbraw/zinc/98/60/47/1190986047.db2.gz YPWOWHNYCNZNBP-XHSDSOJGSA-N 2 1 359.474 0.601 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)CC[N@H+]1C ZINC000986427791 1190988212 /nfs/dbraw/zinc/98/82/12/1190988212.db2.gz MOHJDVQXWBBTKO-ZJPYXAASSA-N 2 1 374.529 0.729 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1 ZINC000986429626 1190988413 /nfs/dbraw/zinc/98/84/13/1190988413.db2.gz XRNMIJDZCKZLEZ-IKGGRYGDSA-N 2 1 360.502 0.341 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC000986485644 1191006146 /nfs/dbraw/zinc/00/61/46/1191006146.db2.gz IOJVPGDIHORCIQ-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC000986485644 1191006148 /nfs/dbraw/zinc/00/61/48/1191006148.db2.gz IOJVPGDIHORCIQ-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC000986485644 1191006152 /nfs/dbraw/zinc/00/61/52/1191006152.db2.gz IOJVPGDIHORCIQ-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CN(C)Cc3nncn3C)CC2)O1 ZINC001029972133 1191053359 /nfs/dbraw/zinc/05/33/59/1191053359.db2.gz CVJMSMVZEPAVPA-GDBMZVCRSA-N 2 1 364.494 0.205 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075883104 1191064925 /nfs/dbraw/zinc/06/49/25/1191064925.db2.gz UDQAPAHQJAGXFY-YESZJQIVSA-N 2 1 371.485 0.916 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075883104 1191064927 /nfs/dbraw/zinc/06/49/27/1191064927.db2.gz UDQAPAHQJAGXFY-YESZJQIVSA-N 2 1 371.485 0.916 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)O1 ZINC001059858349 1191155710 /nfs/dbraw/zinc/15/57/10/1191155710.db2.gz SCQOXBVIDGDDNW-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)O1 ZINC001059858349 1191155712 /nfs/dbraw/zinc/15/57/12/1191155712.db2.gz SCQOXBVIDGDDNW-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)Cn3ccnc3)C2)CC[N@H+]1C ZINC001059867224 1191176029 /nfs/dbraw/zinc/17/60/29/1191176029.db2.gz KVCOKVLQZFSQPZ-YESZJQIVSA-N 2 1 361.490 0.968 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CC[C@@]3(CCN(CC4CCCC4)C3=O)C2)CC1 ZINC001276765426 1224132728 /nfs/dbraw/zinc/13/27/28/1224132728.db2.gz VKDAROFBPHCBLD-HXUWFJFHSA-N 2 1 362.518 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088572116 1191207830 /nfs/dbraw/zinc/20/78/30/1191207830.db2.gz YEURYSLRUTZCAN-OLMNPRSZSA-N 2 1 358.486 0.806 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582234 1193734034 /nfs/dbraw/zinc/73/40/34/1193734034.db2.gz WQJIJGOHDPJXIO-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582234 1193734036 /nfs/dbraw/zinc/73/40/36/1193734036.db2.gz WQJIJGOHDPJXIO-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001691582234 1193734038 /nfs/dbraw/zinc/73/40/38/1193734038.db2.gz WQJIJGOHDPJXIO-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582212 1193734070 /nfs/dbraw/zinc/73/40/70/1193734070.db2.gz VSMKPLAWWHFQFE-IKGGRYGDSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582212 1193734072 /nfs/dbraw/zinc/73/40/72/1193734072.db2.gz VSMKPLAWWHFQFE-IKGGRYGDSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582212 1193734075 /nfs/dbraw/zinc/73/40/75/1193734075.db2.gz VSMKPLAWWHFQFE-IKGGRYGDSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)C1 ZINC001218510227 1224165539 /nfs/dbraw/zinc/16/55/39/1224165539.db2.gz PDLDETRBHKXHDJ-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001218510227 1224165545 /nfs/dbraw/zinc/16/55/45/1224165545.db2.gz PDLDETRBHKXHDJ-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001218510227 1224165548 /nfs/dbraw/zinc/16/55/48/1224165548.db2.gz PDLDETRBHKXHDJ-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001218510227 1224165550 /nfs/dbraw/zinc/16/55/50/1224165550.db2.gz PDLDETRBHKXHDJ-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001218510227 1224165554 /nfs/dbraw/zinc/16/55/54/1224165554.db2.gz PDLDETRBHKXHDJ-FGTMMUONSA-N 2 1 369.506 0.029 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000152365445 1193773307 /nfs/dbraw/zinc/77/33/07/1193773307.db2.gz OEDDUGUCHSCNSR-KSZLIROESA-N 2 1 369.554 0.763 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000152365445 1193773308 /nfs/dbraw/zinc/77/33/08/1193773308.db2.gz OEDDUGUCHSCNSR-KSZLIROESA-N 3 1 369.554 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000152365445 1193773312 /nfs/dbraw/zinc/77/33/12/1193773312.db2.gz OEDDUGUCHSCNSR-KSZLIROESA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000152365445 1193773316 /nfs/dbraw/zinc/77/33/16/1193773316.db2.gz OEDDUGUCHSCNSR-KSZLIROESA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000152365445 1193773319 /nfs/dbraw/zinc/77/33/19/1193773319.db2.gz OEDDUGUCHSCNSR-KSZLIROESA-N 3 1 369.554 0.763 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4cnc(C)n4C3)[C@H]2C1 ZINC001218535632 1224168411 /nfs/dbraw/zinc/16/84/11/1224168411.db2.gz CROGCOCAGAMHHK-RYQLBKOJSA-N 2 1 362.474 0.702 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001218535632 1224168415 /nfs/dbraw/zinc/16/84/15/1224168415.db2.gz CROGCOCAGAMHHK-RYQLBKOJSA-N 2 1 362.474 0.702 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001218535632 1224168418 /nfs/dbraw/zinc/16/84/18/1224168418.db2.gz CROGCOCAGAMHHK-RYQLBKOJSA-N 2 1 362.474 0.702 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088702131 1193800155 /nfs/dbraw/zinc/80/01/55/1193800155.db2.gz FAFCGQWMJBQYPX-IKGGRYGDSA-N 2 1 361.490 0.451 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088702552 1193801129 /nfs/dbraw/zinc/80/11/29/1193801129.db2.gz WFMZULOSFFCNLZ-CABCVRRESA-N 2 1 362.474 0.343 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088702552 1193801131 /nfs/dbraw/zinc/80/11/31/1193801131.db2.gz WFMZULOSFFCNLZ-CABCVRRESA-N 2 1 362.474 0.343 20 0 FCADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001218555948 1224172570 /nfs/dbraw/zinc/17/25/70/1224172570.db2.gz NPUFPSBZFIZBAW-IRXDYDNUSA-N 2 1 372.517 0.846 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000551047172 1193829752 /nfs/dbraw/zinc/82/97/52/1193829752.db2.gz WPKVTVCEYJXXAU-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000551047172 1193829754 /nfs/dbraw/zinc/82/97/54/1193829754.db2.gz WPKVTVCEYJXXAU-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551139969 1193836642 /nfs/dbraw/zinc/83/66/42/1193836642.db2.gz OBKHIGKWMCJVJM-IRXDYDNUSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105641553 1193844639 /nfs/dbraw/zinc/84/46/39/1193844639.db2.gz CLLHNLJEAWIPAT-PSBWJHGTSA-N 2 1 364.490 0.804 20 0 FCADMP C[NH+]1CCN(c2ncccc2NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC001218556461 1224172685 /nfs/dbraw/zinc/17/26/85/1224172685.db2.gz QYMFESQMXQNJCH-AWEZNQCLSA-N 2 1 360.462 0.112 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCCC1 ZINC000551485632 1193860614 /nfs/dbraw/zinc/86/06/14/1193860614.db2.gz XOWJHISHWSLXSK-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCCC1 ZINC000551485632 1193860617 /nfs/dbraw/zinc/86/06/17/1193860617.db2.gz XOWJHISHWSLXSK-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218573984 1224175234 /nfs/dbraw/zinc/17/52/34/1224175234.db2.gz DJNJJZNYFJFWEN-LBPRGKRZSA-N 2 1 370.413 0.130 20 0 FCADMP Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218573984 1224175241 /nfs/dbraw/zinc/17/52/41/1224175241.db2.gz DJNJJZNYFJFWEN-LBPRGKRZSA-N 2 1 370.413 0.130 20 0 FCADMP Cc1nocc1CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757417 1193892461 /nfs/dbraw/zinc/89/24/61/1193892461.db2.gz YENBLZMRKSTGLW-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757417 1193892464 /nfs/dbraw/zinc/89/24/64/1193892464.db2.gz YENBLZMRKSTGLW-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757417 1193892466 /nfs/dbraw/zinc/89/24/66/1193892466.db2.gz YENBLZMRKSTGLW-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757417 1193892468 /nfs/dbraw/zinc/89/24/68/1193892468.db2.gz YENBLZMRKSTGLW-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[C@@H](OC(C)(C)C)C[NH2+]3)cn2)CC1 ZINC001218579389 1224177164 /nfs/dbraw/zinc/17/71/64/1224177164.db2.gz DRUQORDWJLAWCW-CABCVRRESA-N 2 1 362.478 0.713 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000552884492 1193958207 /nfs/dbraw/zinc/95/82/07/1193958207.db2.gz ANKKGCFMZXDSKL-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353882 1193990980 /nfs/dbraw/zinc/99/09/80/1193990980.db2.gz GWOWLTVNUBLSHP-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353882 1193990981 /nfs/dbraw/zinc/99/09/81/1193990981.db2.gz GWOWLTVNUBLSHP-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353882 1193990984 /nfs/dbraw/zinc/99/09/84/1193990984.db2.gz GWOWLTVNUBLSHP-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353882 1193990987 /nfs/dbraw/zinc/99/09/87/1193990987.db2.gz GWOWLTVNUBLSHP-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553599862 1194009400 /nfs/dbraw/zinc/00/94/00/1194009400.db2.gz LSLHDDZOVHZCFP-OAHLLOKOSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21)CC(C)(C)C ZINC001218645384 1224188329 /nfs/dbraw/zinc/18/83/29/1224188329.db2.gz GCSPQYNAIMJXDU-DLBZAZTESA-N 2 1 363.506 0.773 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21)CC(C)(C)C ZINC001218645384 1224188332 /nfs/dbraw/zinc/18/83/32/1224188332.db2.gz GCSPQYNAIMJXDU-DLBZAZTESA-N 2 1 363.506 0.773 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21)CC(C)(C)C ZINC001218645384 1224188338 /nfs/dbraw/zinc/18/83/38/1224188338.db2.gz GCSPQYNAIMJXDU-DLBZAZTESA-N 2 1 363.506 0.773 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21)CC(C)(C)C ZINC001218645384 1224188339 /nfs/dbraw/zinc/18/83/39/1224188339.db2.gz GCSPQYNAIMJXDU-DLBZAZTESA-N 2 1 363.506 0.773 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218651201 1224191426 /nfs/dbraw/zinc/19/14/26/1224191426.db2.gz WEKVRHPARJLGQN-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218651201 1224191428 /nfs/dbraw/zinc/19/14/28/1224191428.db2.gz WEKVRHPARJLGQN-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188617 1194084921 /nfs/dbraw/zinc/08/49/21/1194084921.db2.gz IZPAQJVZCVOPMF-YLJYHZDGSA-N 2 1 374.485 0.119 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000842191480 1194086107 /nfs/dbraw/zinc/08/61/07/1194086107.db2.gz YDKZWHMXYQKBMD-FXAWDEMLSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815226 1194107701 /nfs/dbraw/zinc/10/77/01/1194107701.db2.gz FEVKJGFZQLDXRX-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815226 1194107705 /nfs/dbraw/zinc/10/77/05/1194107705.db2.gz FEVKJGFZQLDXRX-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815226 1194107710 /nfs/dbraw/zinc/10/77/10/1194107710.db2.gz FEVKJGFZQLDXRX-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815226 1194107715 /nfs/dbraw/zinc/10/77/15/1194107715.db2.gz FEVKJGFZQLDXRX-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083524120 1194155758 /nfs/dbraw/zinc/15/57/58/1194155758.db2.gz ILSRFASXLRWLCW-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083524120 1194155760 /nfs/dbraw/zinc/15/57/60/1194155760.db2.gz ILSRFASXLRWLCW-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083524120 1194155762 /nfs/dbraw/zinc/15/57/62/1194155762.db2.gz ILSRFASXLRWLCW-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21)[NH+]1CCCCCC1 ZINC001218715514 1224203888 /nfs/dbraw/zinc/20/38/88/1224203888.db2.gz IESIAPGBMXUQRY-OKZBNKHCSA-N 2 1 369.506 0.171 20 0 FCADMP C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21)[NH+]1CCCCCC1 ZINC001218715514 1224203894 /nfs/dbraw/zinc/20/38/94/1224203894.db2.gz IESIAPGBMXUQRY-OKZBNKHCSA-N 2 1 369.506 0.171 20 0 FCADMP C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21)[NH+]1CCCCCC1 ZINC001218715513 1224204030 /nfs/dbraw/zinc/20/40/30/1224204030.db2.gz IESIAPGBMXUQRY-FGTMMUONSA-N 2 1 369.506 0.171 20 0 FCADMP C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21)[NH+]1CCCCCC1 ZINC001218715513 1224204035 /nfs/dbraw/zinc/20/40/35/1224204035.db2.gz IESIAPGBMXUQRY-FGTMMUONSA-N 2 1 369.506 0.171 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076047024 1194273639 /nfs/dbraw/zinc/27/36/39/1194273639.db2.gz YNJCFWIUIAGABA-APHBMKBZSA-N 2 1 367.409 0.286 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001076206586 1194353355 /nfs/dbraw/zinc/35/33/55/1194353355.db2.gz WWTADODIWJPBQQ-BPQIPLTHSA-N 2 1 362.518 0.777 20 0 FCADMP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168366570 1194391172 /nfs/dbraw/zinc/39/11/72/1194391172.db2.gz WUJNODDPRXWCLR-UHFFFAOYSA-N 2 1 373.538 0.476 20 0 FCADMP [NH3+]CCOCCOCCOCCOCCNC1CC[NH+](CC2CC2)CC1 ZINC001168366570 1194391176 /nfs/dbraw/zinc/39/11/76/1194391176.db2.gz WUJNODDPRXWCLR-UHFFFAOYSA-N 2 1 373.538 0.476 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076309392 1194391265 /nfs/dbraw/zinc/39/12/65/1194391265.db2.gz PPVXDVSYYLVAAW-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076309392 1194391269 /nfs/dbraw/zinc/39/12/69/1194391269.db2.gz PPVXDVSYYLVAAW-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076324781 1194393551 /nfs/dbraw/zinc/39/35/51/1194393551.db2.gz ZVZUTDYBLBJSMP-HRCADAONSA-N 2 1 362.474 0.056 20 0 FCADMP CCOC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794926 1224213940 /nfs/dbraw/zinc/21/39/40/1224213940.db2.gz UWNFYTYHGIHHCZ-KHYOSLBOSA-N 2 1 369.506 0.611 20 0 FCADMP CCNC(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794962 1224214399 /nfs/dbraw/zinc/21/43/99/1224214399.db2.gz VBGMVJZMRLIKRR-HUUCEWRRSA-N 2 1 368.522 0.090 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462142 1194505917 /nfs/dbraw/zinc/50/59/17/1194505917.db2.gz JEXQSCGOYNVUOI-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462142 1194505920 /nfs/dbraw/zinc/50/59/20/1194505920.db2.gz JEXQSCGOYNVUOI-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462142 1194505926 /nfs/dbraw/zinc/50/59/26/1194505926.db2.gz JEXQSCGOYNVUOI-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076573744 1194570025 /nfs/dbraw/zinc/57/00/25/1194570025.db2.gz YGVKBTPGVRPADX-ARFHVFGLSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076573744 1194570029 /nfs/dbraw/zinc/57/00/29/1194570029.db2.gz YGVKBTPGVRPADX-ARFHVFGLSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076571479 1194576405 /nfs/dbraw/zinc/57/64/05/1194576405.db2.gz LOFUYWMUENBPCU-YESZJQIVSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076571479 1194576411 /nfs/dbraw/zinc/57/64/11/1194576411.db2.gz LOFUYWMUENBPCU-YESZJQIVSA-N 2 1 359.474 0.641 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872924 1224243880 /nfs/dbraw/zinc/24/38/80/1224243880.db2.gz CTLUEBLRVNDMAH-INIZCTEOSA-N 2 1 364.446 0.020 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2 ZINC001276798471 1224251694 /nfs/dbraw/zinc/25/16/94/1224251694.db2.gz DKCHPUHECYLLIL-APWZRJJASA-N 2 1 371.522 0.275 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001076812621 1195033914 /nfs/dbraw/zinc/03/39/14/1195033914.db2.gz NRPSJZBIDDXEOJ-KZNAEPCWSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076812621 1195033919 /nfs/dbraw/zinc/03/39/19/1195033919.db2.gz NRPSJZBIDDXEOJ-KZNAEPCWSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076812621 1195033927 /nfs/dbraw/zinc/03/39/27/1195033927.db2.gz NRPSJZBIDDXEOJ-KZNAEPCWSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076812621 1195033933 /nfs/dbraw/zinc/03/39/33/1195033933.db2.gz NRPSJZBIDDXEOJ-KZNAEPCWSA-N 2 1 361.486 0.883 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919644 1224259445 /nfs/dbraw/zinc/25/94/45/1224259445.db2.gz WUMFWEGHRRYASW-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919644 1224259455 /nfs/dbraw/zinc/25/94/55/1224259455.db2.gz WUMFWEGHRRYASW-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218919644 1224259461 /nfs/dbraw/zinc/25/94/61/1224259461.db2.gz WUMFWEGHRRYASW-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)CC[N@@H+]1C ZINC001077024947 1195155494 /nfs/dbraw/zinc/15/54/94/1195155494.db2.gz ZBJFDNVVDGDGMI-MUIFIZLQSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)CC[N@H+]1C ZINC001077024947 1195155499 /nfs/dbraw/zinc/15/54/99/1195155499.db2.gz ZBJFDNVVDGDGMI-MUIFIZLQSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)CC[NH+]1C ZINC001077024947 1195155505 /nfs/dbraw/zinc/15/55/05/1195155505.db2.gz ZBJFDNVVDGDGMI-MUIFIZLQSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)CC[NH+]1C ZINC001077024947 1195155510 /nfs/dbraw/zinc/15/55/10/1195155510.db2.gz ZBJFDNVVDGDGMI-MUIFIZLQSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]2O)CC[N@H+]1C ZINC001077024718 1195156160 /nfs/dbraw/zinc/15/61/60/1195156160.db2.gz MLYXCFKQSGBTHY-UTRMSSBJSA-N 2 1 373.497 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)CC[NH+]1C ZINC001077024718 1195156164 /nfs/dbraw/zinc/15/61/64/1195156164.db2.gz MLYXCFKQSGBTHY-UTRMSSBJSA-N 2 1 373.497 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)CC[NH+]1C ZINC001077024718 1195156166 /nfs/dbraw/zinc/15/61/66/1195156166.db2.gz MLYXCFKQSGBTHY-UTRMSSBJSA-N 2 1 373.497 0.666 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077131399 1195248482 /nfs/dbraw/zinc/24/84/82/1195248482.db2.gz ZCDZLSKZKNYXIR-BRWVUGGUSA-N 2 1 362.474 0.739 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077131399 1195248487 /nfs/dbraw/zinc/24/84/87/1195248487.db2.gz ZCDZLSKZKNYXIR-BRWVUGGUSA-N 2 1 362.474 0.739 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001077133004 1195248548 /nfs/dbraw/zinc/24/85/48/1195248548.db2.gz FAMNMCIHOOFAJY-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001077133004 1195248551 /nfs/dbraw/zinc/24/85/51/1195248551.db2.gz FAMNMCIHOOFAJY-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001077133004 1195248558 /nfs/dbraw/zinc/24/85/58/1195248558.db2.gz FAMNMCIHOOFAJY-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C12CCC[NH+]1CCC2 ZINC001077146279 1195258546 /nfs/dbraw/zinc/25/85/46/1195258546.db2.gz MVPCQSSHRNKHSI-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C12CCC[NH+]1CCC2 ZINC001077146279 1195258551 /nfs/dbraw/zinc/25/85/51/1195258551.db2.gz MVPCQSSHRNKHSI-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077218919 1195327511 /nfs/dbraw/zinc/32/75/11/1195327511.db2.gz APTHYUBWHPFOIH-BRWVUGGUSA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218988 1195327666 /nfs/dbraw/zinc/32/76/66/1195327666.db2.gz DUBDMGGGVRYLEO-KZNAEPCWSA-N 2 1 365.518 0.840 20 0 FCADMP Cc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220922 1195329018 /nfs/dbraw/zinc/32/90/18/1195329018.db2.gz WJAOMHKSZRCCEB-NXWXRZEISA-N 2 1 361.486 0.418 20 0 FCADMP Cc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220922 1195329022 /nfs/dbraw/zinc/32/90/22/1195329022.db2.gz WJAOMHKSZRCCEB-NXWXRZEISA-N 2 1 361.486 0.418 20 0 FCADMP Cc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220922 1195329026 /nfs/dbraw/zinc/32/90/26/1195329026.db2.gz WJAOMHKSZRCCEB-NXWXRZEISA-N 2 1 361.486 0.418 20 0 FCADMP Cc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220922 1195329030 /nfs/dbraw/zinc/32/90/30/1195329030.db2.gz WJAOMHKSZRCCEB-NXWXRZEISA-N 2 1 361.486 0.418 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001218965485 1224273486 /nfs/dbraw/zinc/27/34/86/1224273486.db2.gz LYYWWDZTIBSHOC-ZWKOTPCHSA-N 2 1 363.502 0.811 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001218965485 1224273493 /nfs/dbraw/zinc/27/34/93/1224273493.db2.gz LYYWWDZTIBSHOC-ZWKOTPCHSA-N 2 1 363.502 0.811 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CC1 ZINC001218965314 1224274005 /nfs/dbraw/zinc/27/40/05/1224274005.db2.gz JQEWXLFZQXYWAK-OKZBNKHCSA-N 2 1 363.502 0.809 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077399409 1195499286 /nfs/dbraw/zinc/49/92/86/1195499286.db2.gz IMOBLZCFYBEYOS-QGPMSJSTSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077399409 1195499290 /nfs/dbraw/zinc/49/92/90/1195499290.db2.gz IMOBLZCFYBEYOS-QGPMSJSTSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418118 1195518037 /nfs/dbraw/zinc/51/80/37/1195518037.db2.gz JMCCFIMTVRTZBB-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418118 1195518044 /nfs/dbraw/zinc/51/80/44/1195518044.db2.gz JMCCFIMTVRTZBB-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418118 1195518052 /nfs/dbraw/zinc/51/80/52/1195518052.db2.gz JMCCFIMTVRTZBB-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2ccnc2C1 ZINC001083583213 1195537604 /nfs/dbraw/zinc/53/76/04/1195537604.db2.gz XMLLMXGVOIZRCW-KURKYZTESA-N 2 1 354.454 0.850 20 0 FCADMP O=C(N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2ccnc2C1 ZINC001083583213 1195537609 /nfs/dbraw/zinc/53/76/09/1195537609.db2.gz XMLLMXGVOIZRCW-KURKYZTESA-N 2 1 354.454 0.850 20 0 FCADMP Cc1nocc1CN1C[C@@H](NC(=O)c2ccc3cncn3c2C)[C@@H](O)C1 ZINC001083591335 1195588883 /nfs/dbraw/zinc/58/88/83/1195588883.db2.gz YAZGOYHMAKJRCA-SJORKVTESA-N 2 1 355.398 0.914 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591767 1195592758 /nfs/dbraw/zinc/59/27/58/1195592758.db2.gz VWAXTQPCEKLWOT-NXHRZFHOSA-N 2 1 358.442 0.987 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001083593913 1195606280 /nfs/dbraw/zinc/60/62/80/1195606280.db2.gz DKSHIDLTNKPAKI-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593913 1195606281 /nfs/dbraw/zinc/60/62/81/1195606281.db2.gz DKSHIDLTNKPAKI-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593913 1195606287 /nfs/dbraw/zinc/60/62/87/1195606287.db2.gz DKSHIDLTNKPAKI-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593913 1195606289 /nfs/dbraw/zinc/60/62/89/1195606289.db2.gz DKSHIDLTNKPAKI-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593913 1195606294 /nfs/dbraw/zinc/60/62/94/1195606294.db2.gz DKSHIDLTNKPAKI-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906665285 1195643901 /nfs/dbraw/zinc/64/39/01/1195643901.db2.gz VGQTXXFBTZOFGZ-KRWDZBQOSA-N 2 1 373.501 0.711 20 0 FCADMP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906665285 1195643907 /nfs/dbraw/zinc/64/39/07/1195643907.db2.gz VGQTXXFBTZOFGZ-KRWDZBQOSA-N 2 1 373.501 0.711 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCCC1 ZINC001083602519 1195667241 /nfs/dbraw/zinc/66/72/41/1195667241.db2.gz ZQLYISAQRLEBLW-FGTMMUONSA-N 2 1 365.518 0.981 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907555878 1195700590 /nfs/dbraw/zinc/70/05/90/1195700590.db2.gz ZEUMTJWDYJGXQT-YZGWKJHDSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907555878 1195700595 /nfs/dbraw/zinc/70/05/95/1195700595.db2.gz ZEUMTJWDYJGXQT-YZGWKJHDSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907555878 1195700602 /nfs/dbraw/zinc/70/06/02/1195700602.db2.gz ZEUMTJWDYJGXQT-YZGWKJHDSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907553905 1195700903 /nfs/dbraw/zinc/70/09/03/1195700903.db2.gz LCNWXDDHRJFBED-OAQYLSRUSA-N 2 1 374.529 0.575 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907553905 1195700908 /nfs/dbraw/zinc/70/09/08/1195700908.db2.gz LCNWXDDHRJFBED-OAQYLSRUSA-N 2 1 374.529 0.575 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907553905 1195700916 /nfs/dbraw/zinc/70/09/16/1195700916.db2.gz LCNWXDDHRJFBED-OAQYLSRUSA-N 2 1 374.529 0.575 20 0 FCADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757223 1195709361 /nfs/dbraw/zinc/70/93/61/1195709361.db2.gz UWNDNFPEDXRMPO-DLBZAZTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000907757223 1195709369 /nfs/dbraw/zinc/70/93/69/1195709369.db2.gz UWNDNFPEDXRMPO-DLBZAZTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000907757223 1195709376 /nfs/dbraw/zinc/70/93/76/1195709376.db2.gz UWNDNFPEDXRMPO-DLBZAZTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757223 1195709386 /nfs/dbraw/zinc/70/93/86/1195709386.db2.gz UWNDNFPEDXRMPO-DLBZAZTESA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000907757223 1195709399 /nfs/dbraw/zinc/70/93/99/1195709399.db2.gz UWNDNFPEDXRMPO-DLBZAZTESA-N 2 1 369.506 0.879 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219033695 1224305860 /nfs/dbraw/zinc/30/58/60/1224305860.db2.gz SFEHLXCCFJZHHQ-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219033695 1224305869 /nfs/dbraw/zinc/30/58/69/1224305869.db2.gz SFEHLXCCFJZHHQ-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842435 1195849055 /nfs/dbraw/zinc/84/90/55/1195849055.db2.gz BRAXAQZVIMPNEM-MRXNPFEDSA-N 2 1 373.501 0.967 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000910977625 1195872806 /nfs/dbraw/zinc/87/28/06/1195872806.db2.gz VPFKBXNLKORQEH-MAUKXSAKSA-N 2 1 374.485 0.067 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911099428 1195888733 /nfs/dbraw/zinc/88/87/33/1195888733.db2.gz DQZLAZXBPCLTAB-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000911163371 1195901120 /nfs/dbraw/zinc/90/11/20/1195901120.db2.gz XDKJFDKSGPTLLN-MRXNPFEDSA-N 2 1 358.486 0.748 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911187113 1195904273 /nfs/dbraw/zinc/90/42/73/1195904273.db2.gz MGZOHVDYYAPKFD-ZWKOTPCHSA-N 2 1 358.486 0.822 20 0 FCADMP CCN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042515 1224310732 /nfs/dbraw/zinc/31/07/32/1224310732.db2.gz HZCLMRJXDSHEMY-KSZLIROESA-N 2 1 369.506 0.291 20 0 FCADMP CCN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042515 1224310742 /nfs/dbraw/zinc/31/07/42/1224310742.db2.gz HZCLMRJXDSHEMY-KSZLIROESA-N 2 1 369.506 0.291 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)cc1 ZINC000911358567 1195941339 /nfs/dbraw/zinc/94/13/39/1195941339.db2.gz OXBBQQWVTKTSAH-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219052146 1224321086 /nfs/dbraw/zinc/32/10/86/1224321086.db2.gz IAGVEQLWPGRFKK-DLBZAZTESA-N 2 1 362.474 0.137 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219052146 1224321095 /nfs/dbraw/zinc/32/10/95/1224321095.db2.gz IAGVEQLWPGRFKK-DLBZAZTESA-N 2 1 362.474 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219052146 1224321104 /nfs/dbraw/zinc/32/11/04/1224321104.db2.gz IAGVEQLWPGRFKK-DLBZAZTESA-N 2 1 362.474 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001219052146 1224321113 /nfs/dbraw/zinc/32/11/13/1224321113.db2.gz IAGVEQLWPGRFKK-DLBZAZTESA-N 2 1 362.474 0.137 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054846 1224324847 /nfs/dbraw/zinc/32/48/47/1224324847.db2.gz MTEWOUARXQPBHD-ZWKOTPCHSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054846 1224324860 /nfs/dbraw/zinc/32/48/60/1224324860.db2.gz MTEWOUARXQPBHD-ZWKOTPCHSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054846 1224324871 /nfs/dbraw/zinc/32/48/71/1224324871.db2.gz MTEWOUARXQPBHD-ZWKOTPCHSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054846 1224324881 /nfs/dbraw/zinc/32/48/81/1224324881.db2.gz MTEWOUARXQPBHD-ZWKOTPCHSA-N 2 1 363.506 0.752 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083647562 1196315980 /nfs/dbraw/zinc/31/59/80/1196315980.db2.gz IMOBLZCFYBEYOS-LESCRADOSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083647562 1196315985 /nfs/dbraw/zinc/31/59/85/1196315985.db2.gz IMOBLZCFYBEYOS-LESCRADOSA-N 2 1 362.474 0.350 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cnnn2C)CC3)O1 ZINC000991363823 1196323888 /nfs/dbraw/zinc/32/38/88/1196323888.db2.gz ZDPRCPPUHNPJJZ-GFOCRRMGSA-N 2 1 362.478 0.147 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654277 1196346802 /nfs/dbraw/zinc/34/68/02/1196346802.db2.gz GHNFMFDJAGGLPW-DXWXDBEXSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654277 1196346805 /nfs/dbraw/zinc/34/68/05/1196346805.db2.gz GHNFMFDJAGGLPW-DXWXDBEXSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654277 1196346808 /nfs/dbraw/zinc/34/68/08/1196346808.db2.gz GHNFMFDJAGGLPW-DXWXDBEXSA-N 2 1 371.481 0.254 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000912687687 1196358308 /nfs/dbraw/zinc/35/83/08/1196358308.db2.gz GAFQJKCOABEAKV-IAGOWNOFSA-N 2 1 361.490 0.818 20 0 FCADMP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](CO)C1 ZINC000912744105 1196366564 /nfs/dbraw/zinc/36/65/64/1196366564.db2.gz OEOOIQXVHUYZDN-IBGZPJMESA-N 2 1 360.502 0.724 20 0 FCADMP C[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](CO)C1 ZINC000912744105 1196366568 /nfs/dbraw/zinc/36/65/68/1196366568.db2.gz OEOOIQXVHUYZDN-IBGZPJMESA-N 2 1 360.502 0.724 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896252 1196382312 /nfs/dbraw/zinc/38/23/12/1196382312.db2.gz BCEJVUDJLBHRTJ-UHFFFAOYSA-N 2 1 367.490 0.587 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896252 1196382316 /nfs/dbraw/zinc/38/23/16/1196382316.db2.gz BCEJVUDJLBHRTJ-UHFFFAOYSA-N 2 1 367.490 0.587 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896488 1196669319 /nfs/dbraw/zinc/66/93/19/1196669319.db2.gz JAQMBWLWJITTCD-TWMKSMIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896488 1196669326 /nfs/dbraw/zinc/66/93/26/1196669326.db2.gz JAQMBWLWJITTCD-TWMKSMIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896488 1196669329 /nfs/dbraw/zinc/66/93/29/1196669329.db2.gz JAQMBWLWJITTCD-TWMKSMIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896488 1196669333 /nfs/dbraw/zinc/66/93/33/1196669333.db2.gz JAQMBWLWJITTCD-TWMKSMIVSA-N 2 1 368.522 0.576 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC000991725194 1196748935 /nfs/dbraw/zinc/74/89/35/1196748935.db2.gz YHQOFROACSFUIC-QRQLOZEOSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000991725194 1196748940 /nfs/dbraw/zinc/74/89/40/1196748940.db2.gz YHQOFROACSFUIC-QRQLOZEOSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000991725194 1196748945 /nfs/dbraw/zinc/74/89/45/1196748945.db2.gz YHQOFROACSFUIC-QRQLOZEOSA-N 2 1 370.497 0.611 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001105945343 1196750485 /nfs/dbraw/zinc/75/04/85/1196750485.db2.gz UDEHWFHHAGZLNM-KFWWJZLASA-N 2 1 360.462 0.193 20 0 FCADMP Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974438 1196762014 /nfs/dbraw/zinc/76/20/14/1196762014.db2.gz WNZCNHBMBHTFNK-BMFZPTHFSA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974438 1196762027 /nfs/dbraw/zinc/76/20/27/1196762027.db2.gz WNZCNHBMBHTFNK-BMFZPTHFSA-N 2 1 365.478 0.325 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897291 1196830578 /nfs/dbraw/zinc/83/05/78/1196830578.db2.gz CESYLRDEZMWGLG-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000992244780 1197030926 /nfs/dbraw/zinc/03/09/26/1197030926.db2.gz OLJOAYCCRWREBY-RDHHWEPZSA-N 2 1 362.518 0.966 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236488 1224396894 /nfs/dbraw/zinc/39/68/94/1224396894.db2.gz VGASJMFBWHAIIG-CRAIPNDOSA-N 2 1 360.506 0.303 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)CC[N@H+]1C ZINC001106149834 1197309391 /nfs/dbraw/zinc/30/93/91/1197309391.db2.gz VHDGDDHBCOSYKL-KBUPBQIOSA-N 2 1 363.462 0.637 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219262405 1224406412 /nfs/dbraw/zinc/40/64/12/1224406412.db2.gz WLRAIQHDNBXOBP-DOMZBBRYSA-N 2 1 360.414 0.371 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001085232174 1197720829 /nfs/dbraw/zinc/72/08/29/1197720829.db2.gz OUVZCWXTJABAHB-KBUPBQIOSA-N 2 1 373.457 0.679 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNC2=O)no1 ZINC001085252839 1197751919 /nfs/dbraw/zinc/75/19/19/1197751919.db2.gz JYNRVQWEESKIJC-KFWWJZLASA-N 2 1 363.462 0.645 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2)c1nnnn1C ZINC001085258060 1197756809 /nfs/dbraw/zinc/75/68/09/1197756809.db2.gz OCGBNYWXLMDEFC-RRFJBIMHSA-N 2 1 361.494 0.917 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001085310603 1197810723 /nfs/dbraw/zinc/81/07/23/1197810723.db2.gz GQBDCFMAAOGKPH-MWDXBVQZSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001085309169 1197811141 /nfs/dbraw/zinc/81/11/41/1197811141.db2.gz BIDGBXAJPUCQNB-BYNSBNAKSA-N 2 1 364.494 0.356 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106272099 1197811944 /nfs/dbraw/zinc/81/19/44/1197811944.db2.gz ROMVFNITHLZSLC-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001085333569 1197827011 /nfs/dbraw/zinc/82/70/11/1197827011.db2.gz XFLOYIFKLQHZCV-RBSFLKMASA-N 2 1 364.490 0.541 20 0 FCADMP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnc[nH]2)CCO1 ZINC001085345991 1197835984 /nfs/dbraw/zinc/83/59/84/1197835984.db2.gz ANPKBBMJDOJAND-NUEKZKHPSA-N 2 1 363.462 0.217 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066243600 1197842122 /nfs/dbraw/zinc/84/21/22/1197842122.db2.gz XHZLEMDZJJSMQD-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066243600 1197842124 /nfs/dbraw/zinc/84/21/24/1197842124.db2.gz XHZLEMDZJJSMQD-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066243600 1197842125 /nfs/dbraw/zinc/84/21/25/1197842125.db2.gz XHZLEMDZJJSMQD-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066243600 1197842126 /nfs/dbraw/zinc/84/21/26/1197842126.db2.gz XHZLEMDZJJSMQD-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106309958 1197861161 /nfs/dbraw/zinc/86/11/61/1197861161.db2.gz IYHFKOZNEDRKGM-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106309958 1197861164 /nfs/dbraw/zinc/86/11/64/1197861164.db2.gz IYHFKOZNEDRKGM-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106309593 1197861586 /nfs/dbraw/zinc/86/15/86/1197861586.db2.gz AKDYBLIODAGTOC-YFHUEUNASA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106309593 1197861591 /nfs/dbraw/zinc/86/15/91/1197861591.db2.gz AKDYBLIODAGTOC-YFHUEUNASA-N 2 1 363.506 0.366 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085394714 1197863148 /nfs/dbraw/zinc/86/31/48/1197863148.db2.gz AETAKIGQNADURV-HUUCEWRRSA-N 2 1 361.494 0.867 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085395330 1197864108 /nfs/dbraw/zinc/86/41/08/1197864108.db2.gz GQSWPKLTFDBOGV-HUUCEWRRSA-N 2 1 361.494 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106322136 1197865419 /nfs/dbraw/zinc/86/54/19/1197865419.db2.gz KSZROAFUMAYMRX-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)C2 ZINC001106343249 1197871954 /nfs/dbraw/zinc/87/19/54/1197871954.db2.gz WCMRLBGKEIPKJP-BPLDGKMQSA-N 2 1 361.490 0.595 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352556 1197874399 /nfs/dbraw/zinc/87/43/99/1197874399.db2.gz XNIIPPNYSMMYJE-ZIAGYGMSSA-N 2 1 365.478 0.559 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001085421891 1197886804 /nfs/dbraw/zinc/88/68/04/1197886804.db2.gz AKYHTCISSJGQMB-RRFJBIMHSA-N 2 1 365.478 0.727 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001085421891 1197886806 /nfs/dbraw/zinc/88/68/06/1197886806.db2.gz AKYHTCISSJGQMB-RRFJBIMHSA-N 2 1 365.478 0.727 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001085421890 1197887169 /nfs/dbraw/zinc/88/71/69/1197887169.db2.gz AKYHTCISSJGQMB-RBSFLKMASA-N 2 1 365.478 0.727 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001085421890 1197887176 /nfs/dbraw/zinc/88/71/76/1197887176.db2.gz AKYHTCISSJGQMB-RBSFLKMASA-N 2 1 365.478 0.727 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993155312 1197894870 /nfs/dbraw/zinc/89/48/70/1197894870.db2.gz JNVYJBJMLHVIMJ-GJYPPUQNSA-N 2 1 360.502 0.483 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)C1 ZINC001085429023 1197896021 /nfs/dbraw/zinc/89/60/21/1197896021.db2.gz CZTWLLICOQWVNY-KURKYZTESA-N 2 1 363.506 0.966 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)C1 ZINC001085429023 1197896023 /nfs/dbraw/zinc/89/60/23/1197896023.db2.gz CZTWLLICOQWVNY-KURKYZTESA-N 2 1 363.506 0.966 20 0 FCADMP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453508 1197933139 /nfs/dbraw/zinc/93/31/39/1197933139.db2.gz LWVICUKNWUPFEH-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000915062467 1197934025 /nfs/dbraw/zinc/93/40/25/1197934025.db2.gz IGYNLCAVAGOUER-SFHVURJKSA-N 2 1 366.506 0.166 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066278314 1197941321 /nfs/dbraw/zinc/94/13/21/1197941321.db2.gz MCUKFOQKFJLPKU-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066278314 1197941335 /nfs/dbraw/zinc/94/13/35/1197941335.db2.gz MCUKFOQKFJLPKU-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716149 1197945972 /nfs/dbraw/zinc/94/59/72/1197945972.db2.gz KIQXYZOUGXPBND-UYAOXDASSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716149 1197946007 /nfs/dbraw/zinc/94/60/07/1197946007.db2.gz KIQXYZOUGXPBND-UYAOXDASSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716149 1197946018 /nfs/dbraw/zinc/94/60/18/1197946018.db2.gz KIQXYZOUGXPBND-UYAOXDASSA-N 2 1 374.529 0.479 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278730 1197946540 /nfs/dbraw/zinc/94/65/40/1197946540.db2.gz PDRGCLJFGBLWOQ-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066278730 1197946545 /nfs/dbraw/zinc/94/65/45/1197946545.db2.gz PDRGCLJFGBLWOQ-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066278730 1197946549 /nfs/dbraw/zinc/94/65/49/1197946549.db2.gz PDRGCLJFGBLWOQ-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066278730 1197946555 /nfs/dbraw/zinc/94/65/55/1197946555.db2.gz PDRGCLJFGBLWOQ-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000739023275 1198007405 /nfs/dbraw/zinc/00/74/05/1198007405.db2.gz LLRLATHNSZMVOA-SJLPKXTDSA-N 2 1 368.522 0.897 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231045 1198080194 /nfs/dbraw/zinc/08/01/94/1198080194.db2.gz JVPKOAQPCSQQNK-WSTZPKSXSA-N 2 1 361.486 0.531 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231045 1198080203 /nfs/dbraw/zinc/08/02/03/1198080203.db2.gz JVPKOAQPCSQQNK-WSTZPKSXSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231045 1198080210 /nfs/dbraw/zinc/08/02/10/1198080210.db2.gz JVPKOAQPCSQQNK-WSTZPKSXSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231045 1198080222 /nfs/dbraw/zinc/08/02/22/1198080222.db2.gz JVPKOAQPCSQQNK-WSTZPKSXSA-N 2 1 361.486 0.531 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066358766 1198085081 /nfs/dbraw/zinc/08/50/81/1198085081.db2.gz HBNGOBORMCUPTR-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066358766 1198085092 /nfs/dbraw/zinc/08/50/92/1198085092.db2.gz HBNGOBORMCUPTR-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066358766 1198085102 /nfs/dbraw/zinc/08/51/02/1198085102.db2.gz HBNGOBORMCUPTR-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066358766 1198085117 /nfs/dbraw/zinc/08/51/17/1198085117.db2.gz HBNGOBORMCUPTR-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273386214 1198087303 /nfs/dbraw/zinc/08/73/03/1198087303.db2.gz ZMDXKXJDWWXZOB-KXBFYZLASA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090851 1198157515 /nfs/dbraw/zinc/15/75/15/1198157515.db2.gz UPNVXZHRKINESW-AQDIXCGQSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090851 1198157534 /nfs/dbraw/zinc/15/75/34/1198157534.db2.gz UPNVXZHRKINESW-AQDIXCGQSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090851 1198157553 /nfs/dbraw/zinc/15/75/53/1198157553.db2.gz UPNVXZHRKINESW-AQDIXCGQSA-N 2 1 361.494 0.894 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1)C(C)C ZINC001129326487 1198172320 /nfs/dbraw/zinc/17/23/20/1198172320.db2.gz IXUWDKGBAONVLS-IKGGRYGDSA-N 2 1 366.510 0.632 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1)C(C)C ZINC001129326487 1198172331 /nfs/dbraw/zinc/17/23/31/1198172331.db2.gz IXUWDKGBAONVLS-IKGGRYGDSA-N 2 1 366.510 0.632 20 0 FCADMP COc1nccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120730 1198181949 /nfs/dbraw/zinc/18/19/49/1198181949.db2.gz KYJSFNWKTXBMRJ-LUYZLQTOSA-N 2 1 363.462 0.189 20 0 FCADMP COc1nccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120730 1198181960 /nfs/dbraw/zinc/18/19/60/1198181960.db2.gz KYJSFNWKTXBMRJ-LUYZLQTOSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001086121017 1198182083 /nfs/dbraw/zinc/18/20/83/1198182083.db2.gz YENOFUSPKQGWSX-ZXFNITATSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001086121017 1198182085 /nfs/dbraw/zinc/18/20/85/1198182085.db2.gz YENOFUSPKQGWSX-ZXFNITATSA-N 2 1 362.474 0.794 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)CC1 ZINC001273405957 1198232047 /nfs/dbraw/zinc/23/20/47/1198232047.db2.gz XOBDPIKAALLIAE-IAGOWNOFSA-N 2 1 362.518 0.776 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001086400691 1198355807 /nfs/dbraw/zinc/35/58/07/1198355807.db2.gz SALAXHIDGPMGKT-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001086400691 1198355817 /nfs/dbraw/zinc/35/58/17/1198355817.db2.gz SALAXHIDGPMGKT-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@H](C)C1 ZINC000745794296 1198945531 /nfs/dbraw/zinc/94/55/31/1198945531.db2.gz YORLYWIAYYPZJO-MSOLQXFVSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001006332890 1199013164 /nfs/dbraw/zinc/01/31/64/1199013164.db2.gz BLTIZMKKEICJEN-JKIFEVAISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001006332890 1199013175 /nfs/dbraw/zinc/01/31/75/1199013175.db2.gz BLTIZMKKEICJEN-JKIFEVAISA-N 2 1 366.506 0.010 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001169131617 1199047911 /nfs/dbraw/zinc/04/79/11/1199047911.db2.gz WLPHYIQZGQLRQW-PIIMJCKOSA-N 2 1 364.534 0.867 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001169131616 1199048714 /nfs/dbraw/zinc/04/87/14/1199048714.db2.gz WLPHYIQZGQLRQW-BCDXTJNWSA-N 2 1 364.534 0.867 20 0 FCADMP Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169115612 1199049816 /nfs/dbraw/zinc/04/98/16/1199049816.db2.gz LPBBUWXPSWXHFR-RWHKXBQASA-N 2 1 364.446 0.121 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1nncc1C[NH3+] ZINC001169308895 1199060567 /nfs/dbraw/zinc/06/05/67/1199060567.db2.gz UXGOCHPRRQGRTF-LBPRGKRZSA-N 2 1 362.434 0.227 20 0 FCADMP CC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1 ZINC001169547820 1199072610 /nfs/dbraw/zinc/07/26/10/1199072610.db2.gz WNINLLCKUUZRTJ-VAMGGRTRSA-N 2 1 364.534 0.868 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001129348040 1199097367 /nfs/dbraw/zinc/09/73/67/1199097367.db2.gz JDHMENVCPPXNQY-SJORKVTESA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129369950 1199127643 /nfs/dbraw/zinc/12/76/43/1199127643.db2.gz KTLWEWJVVUNDIT-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129369950 1199127648 /nfs/dbraw/zinc/12/76/48/1199127648.db2.gz KTLWEWJVVUNDIT-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129369950 1199127657 /nfs/dbraw/zinc/12/76/57/1199127657.db2.gz KTLWEWJVVUNDIT-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001219656001 1224546211 /nfs/dbraw/zinc/54/62/11/1224546211.db2.gz GKFRYKDUERCWMX-OWYHZJEWSA-N 2 1 361.486 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001219656001 1224546215 /nfs/dbraw/zinc/54/62/15/1224546215.db2.gz GKFRYKDUERCWMX-OWYHZJEWSA-N 2 1 361.486 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001219656001 1224546219 /nfs/dbraw/zinc/54/62/19/1224546219.db2.gz GKFRYKDUERCWMX-OWYHZJEWSA-N 2 1 361.486 0.957 20 0 FCADMP C[C@@H](O)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723404 1224576502 /nfs/dbraw/zinc/57/65/02/1224576502.db2.gz LUYUUFFUBBBRGH-NXHRZFHOSA-N 3 1 360.502 0.313 20 0 FCADMP C[C@@H](O)[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723404 1224576507 /nfs/dbraw/zinc/57/65/07/1224576507.db2.gz LUYUUFFUBBBRGH-NXHRZFHOSA-N 2 1 360.502 0.313 20 0 FCADMP C[C@@H](O)[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723404 1224576514 /nfs/dbraw/zinc/57/65/14/1224576514.db2.gz LUYUUFFUBBBRGH-NXHRZFHOSA-N 2 1 360.502 0.313 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001219725754 1224578608 /nfs/dbraw/zinc/57/86/08/1224578608.db2.gz GIUXGBCNEBKSBT-RTBURBONSA-N 3 1 371.529 0.166 20 0 FCADMP [NH3+]C1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CCN(Cc2ccccc2)CC1 ZINC001219736361 1224584252 /nfs/dbraw/zinc/58/42/52/1224584252.db2.gz BSXKWOKAWAATIK-QGZVFWFLSA-N 2 1 358.486 0.475 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001109419484 1200258059 /nfs/dbraw/zinc/25/80/59/1200258059.db2.gz RUMNGCUUCIVIDC-YVSFHVDLSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109419484 1200258070 /nfs/dbraw/zinc/25/80/70/1200258070.db2.gz RUMNGCUUCIVIDC-YVSFHVDLSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109419484 1200258082 /nfs/dbraw/zinc/25/80/82/1200258082.db2.gz RUMNGCUUCIVIDC-YVSFHVDLSA-N 2 1 363.506 0.608 20 0 FCADMP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764206 1224601628 /nfs/dbraw/zinc/60/16/28/1224601628.db2.gz AODKSSIDTHDVSW-FGTMMUONSA-N 2 1 359.518 0.292 20 0 FCADMP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764206 1224601634 /nfs/dbraw/zinc/60/16/34/1224601634.db2.gz AODKSSIDTHDVSW-FGTMMUONSA-N 2 1 359.518 0.292 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512728 1200353282 /nfs/dbraw/zinc/35/32/82/1200353282.db2.gz WSHODMRXZLFZOT-LMSBXDPUSA-N 2 1 371.441 0.610 20 0 FCADMP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538881 1200371335 /nfs/dbraw/zinc/37/13/35/1200371335.db2.gz XPDOFFXUHTWYSH-IBTBTWTJSA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538881 1200371346 /nfs/dbraw/zinc/37/13/46/1200371346.db2.gz XPDOFFXUHTWYSH-IBTBTWTJSA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538881 1200371351 /nfs/dbraw/zinc/37/13/51/1200371351.db2.gz XPDOFFXUHTWYSH-IBTBTWTJSA-N 2 1 363.502 0.998 20 0 FCADMP CN1C(=O)C(=O)N(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000770652217 1200471209 /nfs/dbraw/zinc/47/12/09/1200471209.db2.gz URKHZAQPGIZNTF-UHFFFAOYSA-N 2 1 359.430 0.998 20 0 FCADMP CN1C(=O)C(=O)N(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000770652217 1200471219 /nfs/dbraw/zinc/47/12/19/1200471219.db2.gz URKHZAQPGIZNTF-UHFFFAOYSA-N 2 1 359.430 0.998 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)CCC1 ZINC001219798043 1224616677 /nfs/dbraw/zinc/61/66/77/1224616677.db2.gz CUVUHVNXOBDRBF-SJORKVTESA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)CCC1 ZINC001219798043 1224616682 /nfs/dbraw/zinc/61/66/82/1224616682.db2.gz CUVUHVNXOBDRBF-SJORKVTESA-N 2 1 365.449 0.850 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109844727 1200558377 /nfs/dbraw/zinc/55/83/77/1200558377.db2.gz FPLQMRIYCGUCAL-IKGGRYGDSA-N 2 1 374.489 0.718 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109844727 1200558383 /nfs/dbraw/zinc/55/83/83/1200558383.db2.gz FPLQMRIYCGUCAL-IKGGRYGDSA-N 2 1 374.489 0.718 20 0 FCADMP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219798521 1224618148 /nfs/dbraw/zinc/61/81/48/1224618148.db2.gz VQNVZMCBJJYACT-KRWDZBQOSA-N 3 1 373.501 0.769 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]2O)CCC1 ZINC001219798136 1224618629 /nfs/dbraw/zinc/61/86/29/1224618629.db2.gz FYGWGRXXIKWOBG-IKGGRYGDSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]2O)CCC1 ZINC001219798136 1224618633 /nfs/dbraw/zinc/61/86/33/1224618633.db2.gz FYGWGRXXIKWOBG-IKGGRYGDSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001109902313 1200600736 /nfs/dbraw/zinc/60/07/36/1200600736.db2.gz BKGBKMHXUWIEDS-BSWAZPDLSA-N 2 1 364.490 0.097 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001109902313 1200600743 /nfs/dbraw/zinc/60/07/43/1200600743.db2.gz BKGBKMHXUWIEDS-BSWAZPDLSA-N 2 1 364.490 0.097 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980484 1200664344 /nfs/dbraw/zinc/66/43/44/1200664344.db2.gz ORJGALSIQXJAJU-LTIDMASMSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109980484 1200664346 /nfs/dbraw/zinc/66/43/46/1200664346.db2.gz ORJGALSIQXJAJU-LTIDMASMSA-N 2 1 366.506 0.295 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805928 1224626160 /nfs/dbraw/zinc/62/61/60/1224626160.db2.gz WKINOSPZDNXPSF-ZIFCJYIRSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805928 1224626166 /nfs/dbraw/zinc/62/61/66/1224626166.db2.gz WKINOSPZDNXPSF-ZIFCJYIRSA-N 2 1 361.486 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001110016334 1200705705 /nfs/dbraw/zinc/70/57/05/1200705705.db2.gz JBCDFZRRXJOWCZ-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110016334 1200705709 /nfs/dbraw/zinc/70/57/09/1200705709.db2.gz JBCDFZRRXJOWCZ-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001110016334 1200705716 /nfs/dbraw/zinc/70/57/16/1200705716.db2.gz JBCDFZRRXJOWCZ-NCOADZHNSA-N 2 1 366.506 0.033 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811974 1224628822 /nfs/dbraw/zinc/62/88/22/1224628822.db2.gz FZRPQKQZDWRVFU-MJGOQNOKSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811974 1224628826 /nfs/dbraw/zinc/62/88/26/1224628826.db2.gz FZRPQKQZDWRVFU-MJGOQNOKSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811974 1224628830 /nfs/dbraw/zinc/62/88/30/1224628830.db2.gz FZRPQKQZDWRVFU-MJGOQNOKSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811974 1224628836 /nfs/dbraw/zinc/62/88/36/1224628836.db2.gz FZRPQKQZDWRVFU-MJGOQNOKSA-N 2 1 360.502 0.898 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CCC1 ZINC001219812145 1224630539 /nfs/dbraw/zinc/63/05/39/1224630539.db2.gz OJWOZXQUKBOFDX-MOPGFXCFSA-N 2 1 359.470 0.862 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CCC1 ZINC001219812145 1224630545 /nfs/dbraw/zinc/63/05/45/1224630545.db2.gz OJWOZXQUKBOFDX-MOPGFXCFSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CCC1 ZINC001219812145 1224630550 /nfs/dbraw/zinc/63/05/50/1224630550.db2.gz OJWOZXQUKBOFDX-MOPGFXCFSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CCC1 ZINC001219812145 1224630558 /nfs/dbraw/zinc/63/05/58/1224630558.db2.gz OJWOZXQUKBOFDX-MOPGFXCFSA-N 2 1 359.470 0.862 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650785 1200778456 /nfs/dbraw/zinc/77/84/56/1200778456.db2.gz RTXDUXHFSGZLEW-DLBZAZTESA-N 2 1 367.490 0.585 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650785 1200778461 /nfs/dbraw/zinc/77/84/61/1200778461.db2.gz RTXDUXHFSGZLEW-DLBZAZTESA-N 2 1 367.490 0.585 20 0 FCADMP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)Cc1ccccc1 ZINC001112590287 1200829257 /nfs/dbraw/zinc/82/92/57/1200829257.db2.gz MYWRVHKXTIHCNK-PXNSSMCTSA-N 2 1 358.486 0.822 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)Cc1ccccc1 ZINC001112590287 1200829259 /nfs/dbraw/zinc/82/92/59/1200829259.db2.gz MYWRVHKXTIHCNK-PXNSSMCTSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000787123502 1200869390 /nfs/dbraw/zinc/86/93/90/1200869390.db2.gz LJPKQGZJJPXWOH-YOEHRIQHSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579116 1201023552 /nfs/dbraw/zinc/02/35/52/1201023552.db2.gz NATMDSFDNAMUOC-OTWHNJEPSA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579116 1201023561 /nfs/dbraw/zinc/02/35/61/1201023561.db2.gz NATMDSFDNAMUOC-OTWHNJEPSA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579116 1201023570 /nfs/dbraw/zinc/02/35/70/1201023570.db2.gz NATMDSFDNAMUOC-OTWHNJEPSA-N 2 1 368.485 0.957 20 0 FCADMP O=C1O[C@]2(CN1C[NH+]1CCC(Cn3ccnn3)CC1)C[NH+]1CCC2CC1 ZINC000790368549 1201074572 /nfs/dbraw/zinc/07/45/72/1201074572.db2.gz JWECTYQKONIJSX-SFHVURJKSA-N 2 1 360.462 0.864 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001219848694 1224652997 /nfs/dbraw/zinc/65/29/97/1224652997.db2.gz RGYLEDSARBMKNH-SQNIBIBYSA-N 2 1 367.465 0.952 20 0 FCADMP [NH3+]C1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCN(Cc2ccccc2)CC1 ZINC001219852612 1224655414 /nfs/dbraw/zinc/65/54/14/1224655414.db2.gz VYUGDSUCTQWTDL-GBESFXJTSA-N 2 1 372.513 0.721 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605010 1201175207 /nfs/dbraw/zinc/17/52/07/1201175207.db2.gz HCRZYIPQHDLZAS-OTWHNJEPSA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605010 1201175211 /nfs/dbraw/zinc/17/52/11/1201175211.db2.gz HCRZYIPQHDLZAS-OTWHNJEPSA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605010 1201175213 /nfs/dbraw/zinc/17/52/13/1201175213.db2.gz HCRZYIPQHDLZAS-OTWHNJEPSA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605010 1201175217 /nfs/dbraw/zinc/17/52/17/1201175217.db2.gz HCRZYIPQHDLZAS-OTWHNJEPSA-N 2 1 361.486 0.672 20 0 FCADMP Cn1cncc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392986 1201209251 /nfs/dbraw/zinc/20/92/51/1201209251.db2.gz JAULBTBDFSTCDI-WAXYHTEFSA-N 2 1 369.510 0.694 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793291722 1201232709 /nfs/dbraw/zinc/23/27/09/1201232709.db2.gz UTXRHEMCZVRBAF-GJZGRUSLSA-N 2 1 358.446 0.816 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793291722 1201232716 /nfs/dbraw/zinc/23/27/16/1201232716.db2.gz UTXRHEMCZVRBAF-GJZGRUSLSA-N 2 1 358.446 0.816 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793715539 1201255968 /nfs/dbraw/zinc/25/59/68/1201255968.db2.gz GQGOVKKJYZKUFD-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001114296290 1201290638 /nfs/dbraw/zinc/29/06/38/1201290638.db2.gz LSPIKYHWHOTMNR-GFEQUFNTSA-N 2 1 365.518 0.816 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438354 1201316483 /nfs/dbraw/zinc/31/64/83/1201316483.db2.gz SQVBKJATDUUBTN-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438354 1201316490 /nfs/dbraw/zinc/31/64/90/1201316490.db2.gz SQVBKJATDUUBTN-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460710 1201328320 /nfs/dbraw/zinc/32/83/20/1201328320.db2.gz MWRRPLVSFYXFGU-IXDOHACOSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001129460710 1201328330 /nfs/dbraw/zinc/32/83/30/1201328330.db2.gz MWRRPLVSFYXFGU-IXDOHACOSA-N 2 1 364.494 0.122 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129484784 1201331874 /nfs/dbraw/zinc/33/18/74/1201331874.db2.gz HMJQKJCSBKCTKX-SJORKVTESA-N 2 1 364.494 0.268 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623494 1201349892 /nfs/dbraw/zinc/34/98/92/1201349892.db2.gz HOUIMJQVQJHEON-CEXWTWQISA-N 2 1 370.497 0.755 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623494 1201349897 /nfs/dbraw/zinc/34/98/97/1201349897.db2.gz HOUIMJQVQJHEON-CEXWTWQISA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623494 1201349905 /nfs/dbraw/zinc/34/99/05/1201349905.db2.gz HOUIMJQVQJHEON-CEXWTWQISA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2c2ccccc2)C1 ZINC001086623494 1201349909 /nfs/dbraw/zinc/34/99/09/1201349909.db2.gz HOUIMJQVQJHEON-CEXWTWQISA-N 2 1 370.497 0.755 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684753 1201370287 /nfs/dbraw/zinc/37/02/87/1201370287.db2.gz JUEGAFRGALOKFA-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)CC1 ZINC001129983232 1201462580 /nfs/dbraw/zinc/46/25/80/1201462580.db2.gz SMVCCBAOLZHQHF-SJORKVTESA-N 2 1 369.473 0.557 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130074641 1201494670 /nfs/dbraw/zinc/49/46/70/1201494670.db2.gz CORSZTXALDQFRX-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130075353 1201494871 /nfs/dbraw/zinc/49/48/71/1201494871.db2.gz UAQRLMFBYYOAIL-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123180 1201511292 /nfs/dbraw/zinc/51/12/92/1201511292.db2.gz KELOCBNZHAPROB-UAGQMJEPSA-N 2 1 362.478 0.140 20 0 FCADMP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123112 1201511654 /nfs/dbraw/zinc/51/16/54/1201511654.db2.gz GXMMRNCBHIKYJB-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCc3ccccc3NC2=O)O1 ZINC001130182368 1201524600 /nfs/dbraw/zinc/52/46/00/1201524600.db2.gz DWGWFDZVQJGBDU-XOKHGSTOSA-N 2 1 360.458 0.365 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCc3ccccc3NC2=O)O1 ZINC001130182368 1201524604 /nfs/dbraw/zinc/52/46/04/1201524604.db2.gz DWGWFDZVQJGBDU-XOKHGSTOSA-N 2 1 360.458 0.365 20 0 FCADMP CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CCCC1 ZINC001130180316 1201524865 /nfs/dbraw/zinc/52/48/65/1201524865.db2.gz MSHXJFQOSYTDQP-NVXWUHKLSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CCCC1 ZINC001130180316 1201524871 /nfs/dbraw/zinc/52/48/71/1201524871.db2.gz MSHXJFQOSYTDQP-NVXWUHKLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(-n3cccn3)cc2)O1 ZINC001130184651 1201537361 /nfs/dbraw/zinc/53/73/61/1201537361.db2.gz WUXPNIUJXIXVKJ-CRAIPNDOSA-N 2 1 357.458 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(-n3cccn3)cc2)O1 ZINC001130184651 1201537364 /nfs/dbraw/zinc/53/73/64/1201537364.db2.gz WUXPNIUJXIXVKJ-CRAIPNDOSA-N 2 1 357.458 0.797 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130221094 1201550542 /nfs/dbraw/zinc/55/05/42/1201550542.db2.gz UFWDYZCRMVRJEM-STQMWFEESA-N 2 1 370.473 0.583 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130221094 1201550545 /nfs/dbraw/zinc/55/05/45/1201550545.db2.gz UFWDYZCRMVRJEM-STQMWFEESA-N 2 1 370.473 0.583 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130221094 1201550552 /nfs/dbraw/zinc/55/05/52/1201550552.db2.gz UFWDYZCRMVRJEM-STQMWFEESA-N 2 1 370.473 0.583 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130247149 1201567833 /nfs/dbraw/zinc/56/78/33/1201567833.db2.gz WKXORSVNLDDCLY-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130247149 1201567838 /nfs/dbraw/zinc/56/78/38/1201567838.db2.gz WKXORSVNLDDCLY-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130247149 1201567844 /nfs/dbraw/zinc/56/78/44/1201567844.db2.gz WKXORSVNLDDCLY-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)C1 ZINC001130247149 1201567849 /nfs/dbraw/zinc/56/78/49/1201567849.db2.gz WKXORSVNLDDCLY-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)C1 ZINC001130247149 1201567852 /nfs/dbraw/zinc/56/78/52/1201567852.db2.gz WKXORSVNLDDCLY-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130251448 1201570419 /nfs/dbraw/zinc/57/04/19/1201570419.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130251448 1201570425 /nfs/dbraw/zinc/57/04/25/1201570425.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130251448 1201570431 /nfs/dbraw/zinc/57/04/31/1201570431.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001130251327 1201570488 /nfs/dbraw/zinc/57/04/88/1201570488.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 2 1 366.510 0.879 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251327 1201570492 /nfs/dbraw/zinc/57/04/92/1201570492.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 2 1 366.510 0.879 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251327 1201570494 /nfs/dbraw/zinc/57/04/94/1201570494.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 2 1 366.510 0.879 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130304870 1201581032 /nfs/dbraw/zinc/58/10/32/1201581032.db2.gz DKCRUJLIDIOAOP-GMBSWORKSA-N 2 1 368.522 0.184 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130305140 1201581223 /nfs/dbraw/zinc/58/12/23/1201581223.db2.gz KUKMVNPTDKJWDD-APWZRJJASA-N 2 1 368.522 0.186 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130307676 1201582553 /nfs/dbraw/zinc/58/25/53/1201582553.db2.gz YIVFIICHYYFFIE-GMBSWORKSA-N 2 1 368.522 0.184 20 0 FCADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941410 1224692820 /nfs/dbraw/zinc/69/28/20/1224692820.db2.gz XPSYIBGYDRHSBI-IAGOWNOFSA-N 2 1 361.490 0.791 20 0 FCADMP CN1CCN(c2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)c2)CC1 ZINC001219959554 1224701594 /nfs/dbraw/zinc/70/15/94/1224701594.db2.gz YQNFGBYZXIPEDD-YLJYHZDGSA-N 2 1 357.502 0.254 20 0 FCADMP COC(=O)C1(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCN2)CC[NH2+]CC1 ZINC001219999536 1224722675 /nfs/dbraw/zinc/72/26/75/1224722675.db2.gz WRXQORJTXRSNMS-KRWDZBQOSA-N 2 1 374.485 0.262 20 0 FCADMP COC(=O)C1(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCN2)CC[NH2+]CC1 ZINC001219999536 1224722682 /nfs/dbraw/zinc/72/26/82/1224722682.db2.gz WRXQORJTXRSNMS-KRWDZBQOSA-N 2 1 374.485 0.262 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130628495 1202738937 /nfs/dbraw/zinc/73/89/37/1202738937.db2.gz ULIBKDVMNKIYFA-DOTOQJQBSA-N 2 1 360.462 0.546 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672537 1202752160 /nfs/dbraw/zinc/75/21/60/1202752160.db2.gz RRWFYZALJOBGDU-HLLBOEOZSA-N 2 1 365.522 0.663 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130706431 1202757061 /nfs/dbraw/zinc/75/70/61/1202757061.db2.gz FCYJWQOWDPTNGL-DOTOQJQBSA-N 2 1 360.462 0.834 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130706431 1202757065 /nfs/dbraw/zinc/75/70/65/1202757065.db2.gz FCYJWQOWDPTNGL-DOTOQJQBSA-N 2 1 360.462 0.834 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2[NH2+]CCO)c1 ZINC001130739666 1202771037 /nfs/dbraw/zinc/77/10/37/1202771037.db2.gz JHHCOJVQMHSWGR-PKOBYXMFSA-N 2 1 371.485 0.428 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2[NH2+]CCO)c1 ZINC001130739666 1202771042 /nfs/dbraw/zinc/77/10/42/1202771042.db2.gz JHHCOJVQMHSWGR-PKOBYXMFSA-N 2 1 371.485 0.428 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790120 1202798939 /nfs/dbraw/zinc/79/89/39/1202798939.db2.gz IQFCBDQCKJNQOY-SQWLQELKSA-N 2 1 364.494 0.979 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CC[NH+](C)CC3)n[nH]2)O1 ZINC001130808994 1202801620 /nfs/dbraw/zinc/80/16/20/1202801620.db2.gz BKDGLVLXFSCRTK-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP CC[C@@H](F)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802168 1202803402 /nfs/dbraw/zinc/80/34/02/1202803402.db2.gz GAIMUJRUHPVUPP-HZSPNIEDSA-N 2 1 370.473 0.930 20 0 FCADMP C[NH+](C)CC1(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CC1 ZINC001130802156 1202803540 /nfs/dbraw/zinc/80/35/40/1202803540.db2.gz FRCIQCXTZSTBHI-QWHCGFSZSA-N 2 1 368.457 0.542 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C34CC[NH+](CC3)C4)n[nH]2)O1 ZINC001130817173 1202807879 /nfs/dbraw/zinc/80/78/79/1202807879.db2.gz DGRKCXBBSXCXIW-UONOGXRCSA-N 2 1 362.478 0.736 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCCO ZINC001131071959 1202856652 /nfs/dbraw/zinc/85/66/52/1202856652.db2.gz GLKGVVQQBAKYER-HZPDHXFCSA-N 2 1 363.506 0.418 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103058 1202857083 /nfs/dbraw/zinc/85/70/83/1202857083.db2.gz BVPHLXMWPYNOMB-IKGGRYGDSA-N 2 1 363.462 0.066 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103058 1202857085 /nfs/dbraw/zinc/85/70/85/1202857085.db2.gz BVPHLXMWPYNOMB-IKGGRYGDSA-N 2 1 363.462 0.066 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCF ZINC001131089521 1202861049 /nfs/dbraw/zinc/86/10/49/1202861049.db2.gz LBKSMTKSCCNDCT-HZPDHXFCSA-N 2 1 367.469 0.386 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131100898 1202862966 /nfs/dbraw/zinc/86/29/66/1202862966.db2.gz BGICMYCJYYHKMK-GVDBMIGSSA-N 2 1 365.522 0.807 20 0 FCADMP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001086665142 1202885459 /nfs/dbraw/zinc/88/54/59/1202885459.db2.gz SRQCVNGACYWSHY-ZMSDIMECSA-N 2 1 364.494 0.564 20 0 FCADMP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001086665142 1202885462 /nfs/dbraw/zinc/88/54/62/1202885462.db2.gz SRQCVNGACYWSHY-ZMSDIMECSA-N 2 1 364.494 0.564 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131316859 1202886242 /nfs/dbraw/zinc/88/62/42/1202886242.db2.gz ZIGKLFMOEGAPRY-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001131564182 1202915003 /nfs/dbraw/zinc/91/50/03/1202915003.db2.gz FMCVOFVEQIDGBK-AEFFLSMTSA-N 2 1 364.494 0.253 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131578020 1202916233 /nfs/dbraw/zinc/91/62/33/1202916233.db2.gz KPJCJCWTSXFGNS-MJGOQNOKSA-N 2 1 364.490 0.950 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001131578251 1202916390 /nfs/dbraw/zinc/91/63/90/1202916390.db2.gz NETKIKNKWFJEOL-MJGOQNOKSA-N 2 1 369.506 0.341 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131583230 1202918151 /nfs/dbraw/zinc/91/81/51/1202918151.db2.gz XDNMGTORXXPKEZ-AEFFLSMTSA-N 2 1 365.478 0.897 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604825 1202918627 /nfs/dbraw/zinc/91/86/27/1202918627.db2.gz IYOHEHPOOJDDOY-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131595457 1202919266 /nfs/dbraw/zinc/91/92/66/1202919266.db2.gz XXXNFFRYLVJUOQ-LESCRADOSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001086699970 1202974771 /nfs/dbraw/zinc/97/47/71/1202974771.db2.gz QFCWCDZEFVAUOG-YYIAUSFCSA-N 2 1 366.506 0.060 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129573 1203014312 /nfs/dbraw/zinc/01/43/12/1203014312.db2.gz LGLRCOYSIZEFQS-NXHRZFHOSA-N 2 1 360.502 0.952 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086732183 1203056881 /nfs/dbraw/zinc/05/68/81/1203056881.db2.gz ZPGKYWZISVOZCZ-JYYAWHABSA-N 2 1 364.494 0.392 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086783955 1203092105 /nfs/dbraw/zinc/09/21/05/1203092105.db2.gz WQRIHUYJLYHLKE-ARFHVFGLSA-N 2 1 363.510 0.707 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086783955 1203092109 /nfs/dbraw/zinc/09/21/09/1203092109.db2.gz WQRIHUYJLYHLKE-ARFHVFGLSA-N 2 1 363.510 0.707 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1)C(N)=O ZINC001086803659 1203103417 /nfs/dbraw/zinc/10/34/17/1203103417.db2.gz SKUXRMJNOLRJJY-HZSPNIEDSA-N 2 1 363.462 0.632 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001086808845 1203108960 /nfs/dbraw/zinc/10/89/60/1203108960.db2.gz DVTNXXJFFLXURV-HPBDAGMYSA-N 2 1 358.486 0.692 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817986731 1203130364 /nfs/dbraw/zinc/13/03/64/1203130364.db2.gz NPVLTCVRWFWPHR-XAUMDUMWSA-N 2 1 360.502 0.816 20 0 FCADMP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC001086829559 1203166941 /nfs/dbraw/zinc/16/69/41/1203166941.db2.gz FNSOCPRKWAVHFU-DOTOQJQBSA-N 2 1 371.489 0.960 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001086838955 1203192696 /nfs/dbraw/zinc/19/26/96/1203192696.db2.gz DDSSUBUOPGEDII-LXZKKBNFSA-N 2 1 368.441 0.644 20 0 FCADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)CC[C@H]([NH3+])C(=O)OC)c1 ZINC001220120840 1224776724 /nfs/dbraw/zinc/77/67/24/1224776724.db2.gz RHJLYRNBAKCVNC-LBPRGKRZSA-N 2 1 364.402 0.679 20 0 FCADMP COCCC1([NH3+])CCN(C(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143682597 1203325398 /nfs/dbraw/zinc/32/53/98/1203325398.db2.gz XKHXFXIKGUHKDE-ZWKOTPCHSA-N 2 1 361.486 0.978 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844172998 1203337801 /nfs/dbraw/zinc/33/78/01/1203337801.db2.gz MCNWUBLOPGUCGT-DLBZAZTESA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844172998 1203337804 /nfs/dbraw/zinc/33/78/04/1203337804.db2.gz MCNWUBLOPGUCGT-DLBZAZTESA-N 2 1 360.458 0.843 20 0 FCADMP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)CC2)c(F)c1 ZINC000844220128 1203340195 /nfs/dbraw/zinc/34/01/95/1203340195.db2.gz SQTRUUWJKZDXLV-OAHLLOKOSA-N 2 1 362.449 0.958 20 0 FCADMP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)c(F)c1 ZINC000844220128 1203340196 /nfs/dbraw/zinc/34/01/96/1203340196.db2.gz SQTRUUWJKZDXLV-OAHLLOKOSA-N 2 1 362.449 0.958 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224737 1224808743 /nfs/dbraw/zinc/80/87/43/1224808743.db2.gz ZNOZRJVNJUINNC-NXHRZFHOSA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224737 1224808746 /nfs/dbraw/zinc/80/87/46/1224808746.db2.gz ZNOZRJVNJUINNC-NXHRZFHOSA-N 2 1 364.490 0.732 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228074 1224809542 /nfs/dbraw/zinc/80/95/42/1224809542.db2.gz ABFJVPVFGPVYDJ-RTBURBONSA-N 2 1 360.458 0.001 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001220230330 1224811058 /nfs/dbraw/zinc/81/10/58/1224811058.db2.gz BDSRYOPJRSCSNJ-KSZLIROESA-N 2 1 361.486 0.093 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220238648 1224812870 /nfs/dbraw/zinc/81/28/70/1224812870.db2.gz YWZRLMHMLPFIEZ-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220238648 1224812878 /nfs/dbraw/zinc/81/28/78/1224812878.db2.gz YWZRLMHMLPFIEZ-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220268902 1224817204 /nfs/dbraw/zinc/81/72/04/1224817204.db2.gz KYCZRGRFXSPLPM-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220268902 1224817205 /nfs/dbraw/zinc/81/72/05/1224817205.db2.gz KYCZRGRFXSPLPM-KURKYZTESA-N 2 1 369.506 0.075 20 0 FCADMP Cn1cc(C[C@H]([NH3+])C(=O)NCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001220306152 1224824574 /nfs/dbraw/zinc/82/45/74/1224824574.db2.gz DPHNKOLYOGSUJR-SFHVURJKSA-N 2 1 357.502 0.802 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220369242 1224845091 /nfs/dbraw/zinc/84/50/91/1224845091.db2.gz CXBVSYZUGWXPFK-SJORKVTESA-N 2 1 365.522 0.639 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220369242 1224845094 /nfs/dbraw/zinc/84/50/94/1224845094.db2.gz CXBVSYZUGWXPFK-SJORKVTESA-N 2 1 365.522 0.639 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220369242 1224845101 /nfs/dbraw/zinc/84/51/01/1224845101.db2.gz CXBVSYZUGWXPFK-SJORKVTESA-N 2 1 365.522 0.639 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001220375734 1224848840 /nfs/dbraw/zinc/84/88/40/1224848840.db2.gz CTDJDMZZCTVPSW-SQNIBIBYSA-N 2 1 362.474 0.647 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001220375734 1224848845 /nfs/dbraw/zinc/84/88/45/1224848845.db2.gz CTDJDMZZCTVPSW-SQNIBIBYSA-N 2 1 362.474 0.647 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758819 1204843653 /nfs/dbraw/zinc/84/36/53/1204843653.db2.gz MGXFWNUWVFEYPD-KPFFTGBYSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086982377 1204878229 /nfs/dbraw/zinc/87/82/29/1204878229.db2.gz GAZKQPUQBJWKCE-FGTMMUONSA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087009801 1204897584 /nfs/dbraw/zinc/89/75/84/1204897584.db2.gz YXFNWIBMITYJPK-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087038667 1204917531 /nfs/dbraw/zinc/91/75/31/1204917531.db2.gz SEOCOQNOOJKEBN-KURKYZTESA-N 2 1 369.506 0.197 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087038667 1204917546 /nfs/dbraw/zinc/91/75/46/1204917546.db2.gz SEOCOQNOOJKEBN-KURKYZTESA-N 2 1 369.506 0.197 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087059372 1204942861 /nfs/dbraw/zinc/94/28/61/1204942861.db2.gz BIXCYFDKZWPRSW-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059648 1204944138 /nfs/dbraw/zinc/94/41/38/1204944138.db2.gz OANPJZPVOBBIPB-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059649 1204944731 /nfs/dbraw/zinc/94/47/31/1204944731.db2.gz OANPJZPVOBBIPB-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087059888 1204945131 /nfs/dbraw/zinc/94/51/31/1204945131.db2.gz ZHJAQRDMWGVRAF-BFYDXBDKSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087062921 1204949769 /nfs/dbraw/zinc/94/97/69/1204949769.db2.gz BAHPJAVARPAKQR-DJIMGWMZSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087063098 1204951036 /nfs/dbraw/zinc/95/10/36/1204951036.db2.gz IQZHINZNUWJPLQ-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087081126 1204992533 /nfs/dbraw/zinc/99/25/33/1204992533.db2.gz WKFJYTPLRZJYEB-BFYDXBDKSA-N 2 1 367.494 0.917 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087096695 1205004200 /nfs/dbraw/zinc/00/42/00/1205004200.db2.gz XTCRKHCRGHVYFR-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087096566 1205004273 /nfs/dbraw/zinc/00/42/73/1205004273.db2.gz RVSLKZVDPKYPIW-ARFHVFGLSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087096464 1205005018 /nfs/dbraw/zinc/00/50/18/1205005018.db2.gz OQSOREZVWUJXLN-BRWVUGGUSA-N 2 1 361.490 0.772 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910088 1205068683 /nfs/dbraw/zinc/06/86/83/1205068683.db2.gz HQTPAPKRDAWZIM-APWZRJJASA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960020 1205093213 /nfs/dbraw/zinc/09/32/13/1205093213.db2.gz KMZUGBPJXKCBIC-CLCXKQKWSA-N 2 1 362.474 0.999 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975156 1205105462 /nfs/dbraw/zinc/10/54/62/1205105462.db2.gz HWVNBFWGTWUVBC-OGWOLHLISA-N 2 1 360.506 0.998 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975156 1205105464 /nfs/dbraw/zinc/10/54/64/1205105464.db2.gz HWVNBFWGTWUVBC-OGWOLHLISA-N 2 1 360.506 0.998 20 0 FCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092102021 1205158681 /nfs/dbraw/zinc/15/86/81/1205158681.db2.gz SRXJAJJKRSVMQT-APWZRJJASA-N 2 1 361.490 0.423 20 0 FCADMP Cn1nccc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092102021 1205158684 /nfs/dbraw/zinc/15/86/84/1205158684.db2.gz SRXJAJJKRSVMQT-APWZRJJASA-N 2 1 361.490 0.423 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092157536 1205174362 /nfs/dbraw/zinc/17/43/62/1205174362.db2.gz CXUSUYDFXIJZDF-UWVAXJGDSA-N 2 1 362.518 0.776 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092203720 1205197149 /nfs/dbraw/zinc/19/71/49/1205197149.db2.gz IDMBZDVXJYJGOC-ZTQAJYAQSA-N 2 1 371.485 0.820 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)n1 ZINC001092203327 1205198147 /nfs/dbraw/zinc/19/81/47/1205198147.db2.gz JWCGFLCWAXSDGO-BEFAXECRSA-N 2 1 371.485 0.861 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272594 1205220035 /nfs/dbraw/zinc/22/00/35/1205220035.db2.gz GVUXNBIOUPTZQH-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272594 1205220041 /nfs/dbraw/zinc/22/00/41/1205220041.db2.gz GVUXNBIOUPTZQH-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272594 1205220046 /nfs/dbraw/zinc/22/00/46/1205220046.db2.gz GVUXNBIOUPTZQH-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272594 1205220050 /nfs/dbraw/zinc/22/00/50/1205220050.db2.gz GVUXNBIOUPTZQH-FCEWJHQRSA-N 2 1 360.506 0.838 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272593 1205220063 /nfs/dbraw/zinc/22/00/63/1205220063.db2.gz GUHMADBDESEGJK-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272593 1205220070 /nfs/dbraw/zinc/22/00/70/1205220070.db2.gz GUHMADBDESEGJK-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272593 1205220074 /nfs/dbraw/zinc/22/00/74/1205220074.db2.gz GUHMADBDESEGJK-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273814 1205221329 /nfs/dbraw/zinc/22/13/29/1205221329.db2.gz SOXYGZXPPZSGCQ-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273814 1205221333 /nfs/dbraw/zinc/22/13/33/1205221333.db2.gz SOXYGZXPPZSGCQ-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092273814 1205221340 /nfs/dbraw/zinc/22/13/40/1205221340.db2.gz SOXYGZXPPZSGCQ-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286763 1205251765 /nfs/dbraw/zinc/25/17/65/1205251765.db2.gz LEBUGGGATBYPKF-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286763 1205251768 /nfs/dbraw/zinc/25/17/68/1205251768.db2.gz LEBUGGGATBYPKF-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286763 1205251772 /nfs/dbraw/zinc/25/17/72/1205251772.db2.gz LEBUGGGATBYPKF-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286763 1205251775 /nfs/dbraw/zinc/25/17/75/1205251775.db2.gz LEBUGGGATBYPKF-SUMDDJOVSA-N 2 1 362.474 0.984 20 0 FCADMP Cc1cc(N2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nc(C)[nH+]1 ZINC001092292612 1205256859 /nfs/dbraw/zinc/25/68/59/1205256859.db2.gz PDQVBNMRKOIJJN-APWZRJJASA-N 2 1 361.490 0.956 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H](C)C2)nn1 ZINC001092611512 1205313273 /nfs/dbraw/zinc/31/32/73/1205313273.db2.gz YWVWXDXHWDCFTH-QGPMSJSTSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H](C)C2)nn1 ZINC001092611512 1205313276 /nfs/dbraw/zinc/31/32/76/1205313276.db2.gz YWVWXDXHWDCFTH-QGPMSJSTSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001092615935 1205329487 /nfs/dbraw/zinc/32/94/87/1205329487.db2.gz SLBHYGQPDZWPSL-OWYHZJEWSA-N 2 1 367.534 0.800 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1C ZINC001093133136 1206032280 /nfs/dbraw/zinc/03/22/80/1206032280.db2.gz SAPXZAMNNXRRLP-HUUCEWRRSA-N 2 1 360.506 0.657 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1C ZINC001093133136 1206032284 /nfs/dbraw/zinc/03/22/84/1206032284.db2.gz SAPXZAMNNXRRLP-HUUCEWRRSA-N 2 1 360.506 0.657 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212745 1206060407 /nfs/dbraw/zinc/06/04/07/1206060407.db2.gz REVLUIGCVQEHKE-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212745 1206060410 /nfs/dbraw/zinc/06/04/10/1206060410.db2.gz REVLUIGCVQEHKE-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212745 1206060412 /nfs/dbraw/zinc/06/04/12/1206060412.db2.gz REVLUIGCVQEHKE-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212745 1206060415 /nfs/dbraw/zinc/06/04/15/1206060415.db2.gz REVLUIGCVQEHKE-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213138 1206060895 /nfs/dbraw/zinc/06/08/95/1206060895.db2.gz WSUMSOARNSLHNL-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213138 1206060898 /nfs/dbraw/zinc/06/08/98/1206060898.db2.gz WSUMSOARNSLHNL-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213138 1206060901 /nfs/dbraw/zinc/06/09/01/1206060901.db2.gz WSUMSOARNSLHNL-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001093213138 1206060905 /nfs/dbraw/zinc/06/09/05/1206060905.db2.gz WSUMSOARNSLHNL-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001093289271 1206073947 /nfs/dbraw/zinc/07/39/47/1206073947.db2.gz XCPWXHVBMWDSGE-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093820899 1206123407 /nfs/dbraw/zinc/12/34/07/1206123407.db2.gz QQVRCDMMIWFPOA-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093822228 1206124167 /nfs/dbraw/zinc/12/41/67/1206124167.db2.gz MVCZENXAKPUWGO-IIAWOOMASA-N 2 1 361.450 0.081 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093835992 1206128224 /nfs/dbraw/zinc/12/82/24/1206128224.db2.gz SIHIXOJGZXPMFT-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001093865022 1206136735 /nfs/dbraw/zinc/13/67/35/1206136735.db2.gz BQXUQQBFLOOCHF-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001093864210 1206136763 /nfs/dbraw/zinc/13/67/63/1206136763.db2.gz JORWBRSBSDSNGH-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001093929778 1206151899 /nfs/dbraw/zinc/15/18/99/1206151899.db2.gz DGMBBPHWPLEADZ-YVVKENRBSA-N 2 1 361.446 0.117 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001093992318 1206165171 /nfs/dbraw/zinc/16/51/71/1206165171.db2.gz OBPGLYAWJMPTIF-FRFSOERESA-N 2 1 365.478 0.671 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001093992318 1206165172 /nfs/dbraw/zinc/16/51/72/1206165172.db2.gz OBPGLYAWJMPTIF-FRFSOERESA-N 2 1 365.478 0.671 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)C1 ZINC001094041911 1206174572 /nfs/dbraw/zinc/17/45/72/1206174572.db2.gz IBVXOKYVRMKHTE-RRFJBIMHSA-N 2 1 361.494 0.534 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094110633 1206185618 /nfs/dbraw/zinc/18/56/18/1206185618.db2.gz JWVMROCETRMEKH-IAGOWNOFSA-N 2 1 363.506 0.809 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)C1 ZINC001094234173 1206208933 /nfs/dbraw/zinc/20/89/33/1206208933.db2.gz QINFDKRUCAHIKA-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)C1 ZINC001094234173 1206208936 /nfs/dbraw/zinc/20/89/36/1206208936.db2.gz QINFDKRUCAHIKA-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)C1 ZINC001094232586 1206209040 /nfs/dbraw/zinc/20/90/40/1206209040.db2.gz YZDWECJBZRZZJO-DJIMGWMZSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)C1 ZINC001094232586 1206209044 /nfs/dbraw/zinc/20/90/44/1206209044.db2.gz YZDWECJBZRZZJO-DJIMGWMZSA-N 2 1 361.490 0.690 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500291 1206249566 /nfs/dbraw/zinc/24/95/66/1206249566.db2.gz KJLLIXYSNSXUNU-BRWVUGGUSA-N 2 1 370.538 0.837 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500291 1206249569 /nfs/dbraw/zinc/24/95/69/1206249569.db2.gz KJLLIXYSNSXUNU-BRWVUGGUSA-N 2 1 370.538 0.837 20 0 FCADMP C[C@@H](CCCC[NH2+]CCc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500983 1206250182 /nfs/dbraw/zinc/25/01/82/1206250182.db2.gz OQANYVYAWFAZBS-LZLYRXPVSA-N 2 1 365.522 0.946 20 0 FCADMP C[C@@H](CCCC[NH2+]CCc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500983 1206250186 /nfs/dbraw/zinc/25/01/86/1206250186.db2.gz OQANYVYAWFAZBS-LZLYRXPVSA-N 2 1 365.522 0.946 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001172070411 1206256820 /nfs/dbraw/zinc/25/68/20/1206256820.db2.gz OGUVHNRJWJDOHQ-BIEDPOGDSA-N 2 1 356.518 0.565 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001172070411 1206256824 /nfs/dbraw/zinc/25/68/24/1206256824.db2.gz OGUVHNRJWJDOHQ-BIEDPOGDSA-N 2 1 356.518 0.565 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169132 1206258483 /nfs/dbraw/zinc/25/84/83/1206258483.db2.gz DLSTWLXFEKGDEO-MSOLQXFVSA-N 2 1 372.513 0.964 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175675 1206258984 /nfs/dbraw/zinc/25/89/84/1206258984.db2.gz VEPYEFPYWBDYDO-DZVNLGKHSA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175675 1206258991 /nfs/dbraw/zinc/25/89/91/1206258991.db2.gz VEPYEFPYWBDYDO-DZVNLGKHSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175675 1206258995 /nfs/dbraw/zinc/25/89/95/1206258995.db2.gz VEPYEFPYWBDYDO-DZVNLGKHSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175675 1206259000 /nfs/dbraw/zinc/25/90/00/1206259000.db2.gz VEPYEFPYWBDYDO-DZVNLGKHSA-N 2 1 358.490 0.826 20 0 FCADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172236930 1206260618 /nfs/dbraw/zinc/26/06/18/1206260618.db2.gz FRGXGNLBDWWVAC-MQVJKMGUSA-N 2 1 371.485 0.652 20 0 FCADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172236930 1206260621 /nfs/dbraw/zinc/26/06/21/1206260621.db2.gz FRGXGNLBDWWVAC-MQVJKMGUSA-N 2 1 371.485 0.652 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN(CC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173485480 1206274314 /nfs/dbraw/zinc/27/43/14/1206274314.db2.gz FFHBJIBHTPAAJP-ROUUACIJSA-N 2 1 374.485 0.409 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)C(C)C ZINC001220575373 1224943606 /nfs/dbraw/zinc/94/36/06/1224943606.db2.gz ULUKZPPKNKSATL-RYRKJORJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)C(C)C ZINC001220575373 1224943612 /nfs/dbraw/zinc/94/36/12/1224943612.db2.gz ULUKZPPKNKSATL-RYRKJORJSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811715 1206365423 /nfs/dbraw/zinc/36/54/23/1206365423.db2.gz ZRZXGCSGUXKPMM-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811715 1206365426 /nfs/dbraw/zinc/36/54/26/1206365426.db2.gz ZRZXGCSGUXKPMM-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001178948478 1206368336 /nfs/dbraw/zinc/36/83/36/1206368336.db2.gz LCJAFJGZJUNLQT-RTBURBONSA-N 2 1 373.501 0.131 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001178948478 1206368337 /nfs/dbraw/zinc/36/83/37/1206368337.db2.gz LCJAFJGZJUNLQT-RTBURBONSA-N 2 1 373.501 0.131 20 0 FCADMP CC1(C)CC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496218 1206438141 /nfs/dbraw/zinc/43/81/41/1206438141.db2.gz ZVLVHDQSYJZCHT-GJZGRUSLSA-N 2 1 366.506 0.391 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001182693537 1206442189 /nfs/dbraw/zinc/44/21/89/1206442189.db2.gz VVEGNMQJPOYAEK-HYVNUMGLSA-N 2 1 362.474 0.817 20 0 FCADMP Cc1cncc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001203167886 1206462350 /nfs/dbraw/zinc/46/23/50/1206462350.db2.gz LOGKSKHVNCJUJU-UHFFFAOYSA-N 2 1 360.506 0.455 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185250545 1206477286 /nfs/dbraw/zinc/47/72/86/1206477286.db2.gz GXEONGSEIITDTA-QRVBRYPASA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185250545 1206477288 /nfs/dbraw/zinc/47/72/88/1206477288.db2.gz GXEONGSEIITDTA-QRVBRYPASA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185250545 1206477291 /nfs/dbraw/zinc/47/72/91/1206477291.db2.gz GXEONGSEIITDTA-QRVBRYPASA-N 2 1 373.501 0.129 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001273510403 1206487348 /nfs/dbraw/zinc/48/73/48/1206487348.db2.gz GCXHQAHMHQLOMR-XSLAGTTESA-N 2 1 360.502 0.624 20 0 FCADMP Cc1cccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001186039585 1206491101 /nfs/dbraw/zinc/49/11/01/1206491101.db2.gz YPLNRYMLFSPBIV-WSTZPKSXSA-N 2 1 359.470 0.916 20 0 FCADMP Cc1cccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001186039585 1206491103 /nfs/dbraw/zinc/49/11/03/1206491103.db2.gz YPLNRYMLFSPBIV-WSTZPKSXSA-N 2 1 359.470 0.916 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325940 1206520911 /nfs/dbraw/zinc/52/09/11/1206520911.db2.gz FKUGZRMVBKQYHX-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327114 1206521055 /nfs/dbraw/zinc/52/10/55/1206521055.db2.gz WUIPIFIMNXTQNP-OKZBNKHCSA-N 2 1 371.485 0.325 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC4CCC4)C[C@H]32)CC[N@H+]1C ZINC001187971678 1207404982 /nfs/dbraw/zinc/40/49/82/1207404982.db2.gz WRUALUNYBDUYOL-BZZMCLGOSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001187971678 1207404985 /nfs/dbraw/zinc/40/49/85/1207404985.db2.gz WRUALUNYBDUYOL-BZZMCLGOSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)CC[N@H+]1C ZINC001187971678 1207404990 /nfs/dbraw/zinc/40/49/90/1207404990.db2.gz WRUALUNYBDUYOL-BZZMCLGOSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)CC[NH+]1C ZINC001187971678 1207404992 /nfs/dbraw/zinc/40/49/92/1207404992.db2.gz WRUALUNYBDUYOL-BZZMCLGOSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)CC[NH+]1C ZINC001187971678 1207404995 /nfs/dbraw/zinc/40/49/95/1207404995.db2.gz WRUALUNYBDUYOL-BZZMCLGOSA-N 2 1 362.518 0.776 20 0 FCADMP NC[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220656236 1224993909 /nfs/dbraw/zinc/99/39/09/1224993909.db2.gz RGTXXQYGWPSPRS-GOSISDBHSA-N 2 1 353.470 0.985 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205253 1207433627 /nfs/dbraw/zinc/43/36/27/1207433627.db2.gz IEDZDKXZIIHBQB-GVDBMIGSSA-N 2 1 362.474 0.956 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205253 1207433630 /nfs/dbraw/zinc/43/36/30/1207433630.db2.gz IEDZDKXZIIHBQB-GVDBMIGSSA-N 2 1 362.474 0.956 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405168 1207454175 /nfs/dbraw/zinc/45/41/75/1207454175.db2.gz CFWMDUFUFCMSRP-BHYGNILZSA-N 2 1 357.458 0.329 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001188970063 1207492798 /nfs/dbraw/zinc/49/27/98/1207492798.db2.gz FQJXECNUBDVBGA-ARFHVFGLSA-N 2 1 358.490 0.640 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189316702 1207532840 /nfs/dbraw/zinc/53/28/40/1207532840.db2.gz AXEDOQFNYGCJLY-DLBZAZTESA-N 2 1 364.490 0.938 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189316702 1207532843 /nfs/dbraw/zinc/53/28/43/1207532843.db2.gz AXEDOQFNYGCJLY-DLBZAZTESA-N 2 1 364.490 0.938 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391017 1207539246 /nfs/dbraw/zinc/53/92/46/1207539246.db2.gz NSANZLKFAIDWSK-SOLBZPMBSA-N 2 1 363.506 0.752 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCN3CCOCC3)[C@@H]2C1 ZINC001189426549 1207547839 /nfs/dbraw/zinc/54/78/39/1207547839.db2.gz YVBRUAWNWWGCRC-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426549 1207547846 /nfs/dbraw/zinc/54/78/46/1207547846.db2.gz YVBRUAWNWWGCRC-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426549 1207547855 /nfs/dbraw/zinc/54/78/55/1207547855.db2.gz YVBRUAWNWWGCRC-OKZBNKHCSA-N 2 1 369.506 0.029 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001189433839 1207550099 /nfs/dbraw/zinc/55/00/99/1207550099.db2.gz XETHHSVPHRRVKL-BHYGNILZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001189433839 1207550104 /nfs/dbraw/zinc/55/01/04/1207550104.db2.gz XETHHSVPHRRVKL-BHYGNILZSA-N 2 1 361.490 0.981 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189653844 1207584548 /nfs/dbraw/zinc/58/45/48/1207584548.db2.gz ZBRIDKSOXCBMIQ-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189653844 1207584554 /nfs/dbraw/zinc/58/45/54/1207584554.db2.gz ZBRIDKSOXCBMIQ-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189653844 1207584556 /nfs/dbraw/zinc/58/45/56/1207584556.db2.gz ZBRIDKSOXCBMIQ-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189653844 1207584565 /nfs/dbraw/zinc/58/45/65/1207584565.db2.gz ZBRIDKSOXCBMIQ-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819987 1207604804 /nfs/dbraw/zinc/60/48/04/1207604804.db2.gz IVLIOYIHJBQGFZ-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819987 1207604817 /nfs/dbraw/zinc/60/48/17/1207604817.db2.gz IVLIOYIHJBQGFZ-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189819919 1207604859 /nfs/dbraw/zinc/60/48/59/1207604859.db2.gz DZUYRUHXVVDUJU-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189819919 1207604868 /nfs/dbraw/zinc/60/48/68/1207604868.db2.gz DZUYRUHXVVDUJU-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189819919 1207604878 /nfs/dbraw/zinc/60/48/78/1207604878.db2.gz DZUYRUHXVVDUJU-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189819919 1207604889 /nfs/dbraw/zinc/60/48/89/1207604889.db2.gz DZUYRUHXVVDUJU-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189820043 1207605364 /nfs/dbraw/zinc/60/53/64/1207605364.db2.gz LQVWFEMQBIBWBS-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189802389 1207610594 /nfs/dbraw/zinc/61/05/94/1207610594.db2.gz XZHCSDZCNNPXQT-BHYGNILZSA-N 2 1 360.502 0.530 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189802389 1207610601 /nfs/dbraw/zinc/61/06/01/1207610601.db2.gz XZHCSDZCNNPXQT-BHYGNILZSA-N 2 1 360.502 0.530 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189912813 1207619703 /nfs/dbraw/zinc/61/97/03/1207619703.db2.gz GEBWTPBEFUASLW-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189912813 1207619718 /nfs/dbraw/zinc/61/97/18/1207619718.db2.gz GEBWTPBEFUASLW-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148996 1207648295 /nfs/dbraw/zinc/64/82/95/1207648295.db2.gz NBXIZDMEJHTKJD-RCCFBDPRSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148996 1207648305 /nfs/dbraw/zinc/64/83/05/1207648305.db2.gz NBXIZDMEJHTKJD-RCCFBDPRSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001190148996 1207648308 /nfs/dbraw/zinc/64/83/08/1207648308.db2.gz NBXIZDMEJHTKJD-RCCFBDPRSA-N 2 1 360.506 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001190178301 1207657821 /nfs/dbraw/zinc/65/78/21/1207657821.db2.gz WNKFVNVJNVPIQI-OKZBNKHCSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001190178301 1207657832 /nfs/dbraw/zinc/65/78/32/1207657832.db2.gz WNKFVNVJNVPIQI-OKZBNKHCSA-N 2 1 364.490 0.758 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220683452 1225011231 /nfs/dbraw/zinc/01/12/31/1225011231.db2.gz SMYKLEUDSJIGMS-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220683452 1225011239 /nfs/dbraw/zinc/01/12/39/1225011239.db2.gz SMYKLEUDSJIGMS-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220683452 1225011245 /nfs/dbraw/zinc/01/12/45/1225011245.db2.gz SMYKLEUDSJIGMS-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220683452 1225011252 /nfs/dbraw/zinc/01/12/52/1225011252.db2.gz SMYKLEUDSJIGMS-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)Cc1ccccc1 ZINC001190467033 1207691014 /nfs/dbraw/zinc/69/10/14/1207691014.db2.gz KGVFNDDEEAQBLA-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467033 1207691021 /nfs/dbraw/zinc/69/10/21/1207691021.db2.gz KGVFNDDEEAQBLA-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467033 1207691024 /nfs/dbraw/zinc/69/10/24/1207691024.db2.gz KGVFNDDEEAQBLA-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467033 1207691027 /nfs/dbraw/zinc/69/10/27/1207691027.db2.gz KGVFNDDEEAQBLA-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)Cc4ccccc4)[C@@H]3C2)C1=O ZINC001190467033 1207691031 /nfs/dbraw/zinc/69/10/31/1207691031.db2.gz KGVFNDDEEAQBLA-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2)cn1 ZINC001193447570 1207873105 /nfs/dbraw/zinc/87/31/05/1207873105.db2.gz SGCOKOJWBHNQPV-BRWVUGGUSA-N 2 1 369.485 0.287 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2)cn1 ZINC001193447570 1207873108 /nfs/dbraw/zinc/87/31/08/1207873108.db2.gz SGCOKOJWBHNQPV-BRWVUGGUSA-N 2 1 369.485 0.287 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001273660019 1207877278 /nfs/dbraw/zinc/87/72/78/1207877278.db2.gz OXMAOUUDDPTISK-KBXCAEBGSA-N 2 1 362.478 0.326 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CC1 ZINC001193782326 1207888671 /nfs/dbraw/zinc/88/86/71/1207888671.db2.gz WMHHFXIYMBIGTR-QRVBRYPASA-N 2 1 359.470 0.718 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C1CC1 ZINC001193782326 1207888675 /nfs/dbraw/zinc/88/86/75/1207888675.db2.gz WMHHFXIYMBIGTR-QRVBRYPASA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791702 1207889503 /nfs/dbraw/zinc/88/95/03/1207889503.db2.gz PDMHADYALRYOSQ-DJIMGWMZSA-N 2 1 366.506 0.033 20 0 FCADMP COCc1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001193791260 1207889608 /nfs/dbraw/zinc/88/96/08/1207889608.db2.gz HYAIXPXKCFQYCI-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001193791260 1207889613 /nfs/dbraw/zinc/88/96/13/1207889613.db2.gz HYAIXPXKCFQYCI-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001193791260 1207889614 /nfs/dbraw/zinc/88/96/14/1207889614.db2.gz HYAIXPXKCFQYCI-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001193791260 1207889617 /nfs/dbraw/zinc/88/96/17/1207889617.db2.gz HYAIXPXKCFQYCI-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001193930006 1207896044 /nfs/dbraw/zinc/89/60/44/1207896044.db2.gz RGYLEDSARBMKNH-KURKYZTESA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001193930006 1207896045 /nfs/dbraw/zinc/89/60/45/1207896045.db2.gz RGYLEDSARBMKNH-KURKYZTESA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102379 1207918812 /nfs/dbraw/zinc/91/88/12/1207918812.db2.gz JNQFFYDMFXJJQI-IAGOWNOFSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102379 1207918817 /nfs/dbraw/zinc/91/88/17/1207918817.db2.gz JNQFFYDMFXJJQI-IAGOWNOFSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001194103044 1207919279 /nfs/dbraw/zinc/91/92/79/1207919279.db2.gz SUFAJLBZRROEHE-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001194298836 1207930395 /nfs/dbraw/zinc/93/03/95/1207930395.db2.gz MIMOHOZQCQHYQJ-HZPDHXFCSA-N 2 1 364.494 0.092 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001194298836 1207930399 /nfs/dbraw/zinc/93/03/99/1207930399.db2.gz MIMOHOZQCQHYQJ-HZPDHXFCSA-N 2 1 364.494 0.092 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001194298836 1207930406 /nfs/dbraw/zinc/93/04/06/1207930406.db2.gz MIMOHOZQCQHYQJ-HZPDHXFCSA-N 2 1 364.494 0.092 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001194298836 1207930410 /nfs/dbraw/zinc/93/04/10/1207930410.db2.gz MIMOHOZQCQHYQJ-HZPDHXFCSA-N 2 1 364.494 0.092 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321286 1207932199 /nfs/dbraw/zinc/93/21/99/1207932199.db2.gz QATFCCZKQLYMPI-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321286 1207932201 /nfs/dbraw/zinc/93/22/01/1207932201.db2.gz QATFCCZKQLYMPI-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321286 1207932204 /nfs/dbraw/zinc/93/22/04/1207932204.db2.gz QATFCCZKQLYMPI-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321286 1207932207 /nfs/dbraw/zinc/93/22/07/1207932207.db2.gz QATFCCZKQLYMPI-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CC1 ZINC001194430312 1207950169 /nfs/dbraw/zinc/95/01/69/1207950169.db2.gz AOENFYZBAJYDLY-KURKYZTESA-N 2 1 358.442 0.924 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CC1 ZINC001195640159 1208030458 /nfs/dbraw/zinc/03/04/58/1208030458.db2.gz BCFAIYXMNDYIHQ-BRWVUGGUSA-N 2 1 365.474 0.931 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195641203 1208031225 /nfs/dbraw/zinc/03/12/25/1208031225.db2.gz ZNOZRJVNJUINNC-CGTJXYLNSA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195641203 1208031229 /nfs/dbraw/zinc/03/12/29/1208031229.db2.gz ZNOZRJVNJUINNC-CGTJXYLNSA-N 2 1 364.490 0.732 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700812 1208036107 /nfs/dbraw/zinc/03/61/07/1208036107.db2.gz IINOFQGGLZPERQ-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419392 1208037287 /nfs/dbraw/zinc/03/72/87/1208037287.db2.gz ZIRJNVINSFAOMQ-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419392 1208037290 /nfs/dbraw/zinc/03/72/90/1208037290.db2.gz ZIRJNVINSFAOMQ-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)n1 ZINC001196206374 1208066117 /nfs/dbraw/zinc/06/61/17/1208066117.db2.gz BQHIAKVTUKDOIE-HUUCEWRRSA-N 2 1 367.494 0.450 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)n1 ZINC001196206374 1208066121 /nfs/dbraw/zinc/06/61/21/1208066121.db2.gz BQHIAKVTUKDOIE-HUUCEWRRSA-N 2 1 367.494 0.450 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196206374 1208066126 /nfs/dbraw/zinc/06/61/26/1208066126.db2.gz BQHIAKVTUKDOIE-HUUCEWRRSA-N 2 1 367.494 0.450 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196206374 1208066130 /nfs/dbraw/zinc/06/61/30/1208066130.db2.gz BQHIAKVTUKDOIE-HUUCEWRRSA-N 2 1 367.494 0.450 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222319 1208067873 /nfs/dbraw/zinc/06/78/73/1208067873.db2.gz KUMJBRQOGXTRNL-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222319 1208067877 /nfs/dbraw/zinc/06/78/77/1208067877.db2.gz KUMJBRQOGXTRNL-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222319 1208067881 /nfs/dbraw/zinc/06/78/81/1208067881.db2.gz KUMJBRQOGXTRNL-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222319 1208067886 /nfs/dbraw/zinc/06/78/86/1208067886.db2.gz KUMJBRQOGXTRNL-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CCC1 ZINC001196925920 1208118813 /nfs/dbraw/zinc/11/88/13/1208118813.db2.gz RUPFVXMKIWDSHE-KURKYZTESA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CCC1 ZINC001196925920 1208118817 /nfs/dbraw/zinc/11/88/17/1208118817.db2.gz RUPFVXMKIWDSHE-KURKYZTESA-N 2 1 364.490 0.948 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001196939866 1208123634 /nfs/dbraw/zinc/12/36/34/1208123634.db2.gz MCGROZLBWXVDGY-KZNAEPCWSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001196939866 1208123638 /nfs/dbraw/zinc/12/36/38/1208123638.db2.gz MCGROZLBWXVDGY-KZNAEPCWSA-N 2 1 369.506 0.077 20 0 FCADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196953941 1208124457 /nfs/dbraw/zinc/12/44/57/1208124457.db2.gz LMMNLXVLRWCCCP-BHIYHBOVSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196953941 1208124458 /nfs/dbraw/zinc/12/44/58/1208124458.db2.gz LMMNLXVLRWCCCP-BHIYHBOVSA-N 2 1 361.486 0.940 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@H]1O ZINC001197050157 1208131657 /nfs/dbraw/zinc/13/16/57/1208131657.db2.gz YVOUGXQHDAYBQA-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@H]1O ZINC001197050157 1208131660 /nfs/dbraw/zinc/13/16/60/1208131660.db2.gz YVOUGXQHDAYBQA-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001197536160 1208170975 /nfs/dbraw/zinc/17/09/75/1208170975.db2.gz MNSLBVFIXFHPDW-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001197536160 1208170980 /nfs/dbraw/zinc/17/09/80/1208170980.db2.gz MNSLBVFIXFHPDW-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001197536160 1208170984 /nfs/dbraw/zinc/17/09/84/1208170984.db2.gz MNSLBVFIXFHPDW-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001197659375 1208181679 /nfs/dbraw/zinc/18/16/79/1208181679.db2.gz XRYZUYBUIJREDY-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001197659375 1208181682 /nfs/dbraw/zinc/18/16/82/1208181682.db2.gz XRYZUYBUIJREDY-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O ZINC001197659375 1208181683 /nfs/dbraw/zinc/18/16/83/1208181683.db2.gz XRYZUYBUIJREDY-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001197659375 1208181685 /nfs/dbraw/zinc/18/16/85/1208181685.db2.gz XRYZUYBUIJREDY-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001198029689 1208215317 /nfs/dbraw/zinc/21/53/17/1208215317.db2.gz VOTWXRQVKZXGRQ-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001198029689 1208215320 /nfs/dbraw/zinc/21/53/20/1208215320.db2.gz VOTWXRQVKZXGRQ-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729141 1208284125 /nfs/dbraw/zinc/28/41/25/1208284125.db2.gz BYPVHZSFVOXIGP-IXDOHACOSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729141 1208284131 /nfs/dbraw/zinc/28/41/31/1208284131.db2.gz BYPVHZSFVOXIGP-IXDOHACOSA-N 2 1 368.522 0.458 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103859 1208318354 /nfs/dbraw/zinc/31/83/54/1208318354.db2.gz DDPNSTCVOOUNLH-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001199097465 1208318756 /nfs/dbraw/zinc/31/87/56/1208318756.db2.gz ZXRLFKIDKPKGPY-QZTJIDSGSA-N 2 1 361.486 0.666 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001199097465 1208318757 /nfs/dbraw/zinc/31/87/57/1208318757.db2.gz ZXRLFKIDKPKGPY-QZTJIDSGSA-N 2 1 361.486 0.666 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001199097465 1208318758 /nfs/dbraw/zinc/31/87/58/1208318758.db2.gz ZXRLFKIDKPKGPY-QZTJIDSGSA-N 2 1 361.486 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4(C[NH+](C)C)CC4)C3)C2)CC[N@H+]1C ZINC001488840463 1208556165 /nfs/dbraw/zinc/55/61/65/1208556165.db2.gz BZBVJNTXFPVNFZ-HZPDHXFCSA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001489249607 1208689478 /nfs/dbraw/zinc/68/94/78/1208689478.db2.gz CEOOWKIESANGAH-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001489249607 1208689481 /nfs/dbraw/zinc/68/94/81/1208689481.db2.gz CEOOWKIESANGAH-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001489249607 1208689486 /nfs/dbraw/zinc/68/94/86/1208689486.db2.gz CEOOWKIESANGAH-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001489361125 1208821347 /nfs/dbraw/zinc/82/13/47/1208821347.db2.gz FFRVWZXTRPQTGG-INMHGKMJSA-N 2 1 370.538 0.238 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001220826331 1225091860 /nfs/dbraw/zinc/09/18/60/1225091860.db2.gz YHAGESJTRJPQEU-SJORKVTESA-N 2 1 361.446 0.616 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001220826331 1225091868 /nfs/dbraw/zinc/09/18/68/1225091868.db2.gz YHAGESJTRJPQEU-SJORKVTESA-N 2 1 361.446 0.616 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001220826331 1225091875 /nfs/dbraw/zinc/09/18/75/1225091875.db2.gz YHAGESJTRJPQEU-SJORKVTESA-N 2 1 361.446 0.616 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001220826331 1225091883 /nfs/dbraw/zinc/09/18/83/1225091883.db2.gz YHAGESJTRJPQEU-SJORKVTESA-N 2 1 361.446 0.616 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830982 1225095879 /nfs/dbraw/zinc/09/58/79/1225095879.db2.gz LXSDVDRWFMNLON-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830982 1225095884 /nfs/dbraw/zinc/09/58/84/1225095884.db2.gz LXSDVDRWFMNLON-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830982 1225095891 /nfs/dbraw/zinc/09/58/91/1225095891.db2.gz LXSDVDRWFMNLON-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830982 1225095895 /nfs/dbraw/zinc/09/58/95/1225095895.db2.gz LXSDVDRWFMNLON-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001489662985 1209077414 /nfs/dbraw/zinc/07/74/14/1209077414.db2.gz HWPOUIDFFFLAHG-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cn21 ZINC001220896353 1225127695 /nfs/dbraw/zinc/12/76/95/1225127695.db2.gz JZKQVRWWMUYNND-LSDHHAIUSA-N 2 1 357.462 0.129 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cn21 ZINC001220896353 1225127697 /nfs/dbraw/zinc/12/76/97/1225127697.db2.gz JZKQVRWWMUYNND-LSDHHAIUSA-N 2 1 357.462 0.129 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851741586 1209517776 /nfs/dbraw/zinc/51/77/76/1209517776.db2.gz LFAOBDQHUPPSQC-DBXWQHBBSA-N 2 1 374.529 0.850 20 0 FCADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001220926289 1225144216 /nfs/dbraw/zinc/14/42/16/1225144216.db2.gz FWIZFQIQRSGYOJ-RDJZCZTQSA-N 2 1 357.458 0.689 20 0 FCADMP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935912 1225148579 /nfs/dbraw/zinc/14/85/79/1225148579.db2.gz ANKVPYZTUQOQQB-QZTJIDSGSA-N 3 1 358.486 0.203 20 0 FCADMP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935912 1225148583 /nfs/dbraw/zinc/14/85/83/1225148583.db2.gz ANKVPYZTUQOQQB-QZTJIDSGSA-N 3 1 358.486 0.203 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)CC1 ZINC000856804430 1209729980 /nfs/dbraw/zinc/72/99/80/1209729980.db2.gz OLGVIJIGUYVXFB-LJQANCHMSA-N 2 1 363.506 0.766 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)CC1 ZINC000856804429 1209730059 /nfs/dbraw/zinc/73/00/59/1209730059.db2.gz OLGVIJIGUYVXFB-IBGZPJMESA-N 2 1 363.506 0.766 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000861574425 1209871677 /nfs/dbraw/zinc/87/16/77/1209871677.db2.gz UKCVNLDTCJEHQO-YOEHRIQHSA-N 2 1 361.490 0.873 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000861745479 1209879161 /nfs/dbraw/zinc/87/91/61/1209879161.db2.gz MKDOGDDMYTXPSG-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000861756849 1209880216 /nfs/dbraw/zinc/88/02/16/1209880216.db2.gz BNELHWBCPDAUME-HOTGVXAUSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000861759301 1209880299 /nfs/dbraw/zinc/88/02/99/1209880299.db2.gz JKQMCWLQJVAWCY-HOTGVXAUSA-N 2 1 361.490 0.119 20 0 FCADMP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)c1nnn2c1C[NH2+]CC2 ZINC001220980655 1225172055 /nfs/dbraw/zinc/17/20/55/1225172055.db2.gz NDBPRUAJKUXCRB-UHFFFAOYSA-N 2 1 372.448 0.863 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863750566 1209949515 /nfs/dbraw/zinc/94/95/15/1209949515.db2.gz QUYZIDZNIAJRDN-DOTOQJQBSA-N 2 1 361.490 0.700 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863750568 1209949566 /nfs/dbraw/zinc/94/95/66/1209949566.db2.gz QUYZIDZNIAJRDN-RDJZCZTQSA-N 2 1 361.490 0.700 20 0 FCADMP NC(=O)c1ccc(CC[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665750 1210001128 /nfs/dbraw/zinc/00/11/28/1210001128.db2.gz GECVQAQCNQPANM-ZWKOTPCHSA-N 2 1 371.485 0.548 20 0 FCADMP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866710851 1210004239 /nfs/dbraw/zinc/00/42/39/1210004239.db2.gz WMRXRKTVSIIHRI-ZACQAIPSSA-N 2 1 358.442 0.755 20 0 FCADMP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866713937 1210004922 /nfs/dbraw/zinc/00/49/22/1210004922.db2.gz BAVWNUFPVPGNTC-ZACQAIPSSA-N 2 1 358.442 0.478 20 0 FCADMP Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866713937 1210004925 /nfs/dbraw/zinc/00/49/25/1210004925.db2.gz BAVWNUFPVPGNTC-ZACQAIPSSA-N 2 1 358.442 0.478 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868050058 1210040506 /nfs/dbraw/zinc/04/05/06/1210040506.db2.gz BTVUZIJYSXZVBF-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868050058 1210040509 /nfs/dbraw/zinc/04/05/09/1210040509.db2.gz BTVUZIJYSXZVBF-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218089 1210044730 /nfs/dbraw/zinc/04/47/30/1210044730.db2.gz ZKGKYQOSIXCNFY-QZTJIDSGSA-N 2 1 374.489 0.210 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868304313 1210051008 /nfs/dbraw/zinc/05/10/08/1210051008.db2.gz GRKVSIIPMYYYGV-IIAWOOMASA-N 2 1 360.458 0.872 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cn2cc[nH+]c12 ZINC000873103884 1210234343 /nfs/dbraw/zinc/23/43/43/1210234343.db2.gz YDYRTFOXSMPWJL-OAHLLOKOSA-N 2 1 371.441 0.856 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783954 1210431382 /nfs/dbraw/zinc/43/13/82/1210431382.db2.gz RVEBEYNRJDOVNU-QZTJIDSGSA-N 2 1 374.533 0.968 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246818 1210440952 /nfs/dbraw/zinc/44/09/52/1210440952.db2.gz QJFXOWLVJHRJSU-JCECYMMASA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001221083880 1225214477 /nfs/dbraw/zinc/21/44/77/1225214477.db2.gz VZFFAMGWUPKOLQ-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001221083880 1225214483 /nfs/dbraw/zinc/21/44/83/1225214483.db2.gz VZFFAMGWUPKOLQ-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001221083880 1225214490 /nfs/dbraw/zinc/21/44/90/1225214490.db2.gz VZFFAMGWUPKOLQ-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001221083880 1225214496 /nfs/dbraw/zinc/21/44/96/1225214496.db2.gz VZFFAMGWUPKOLQ-MOPGFXCFSA-N 2 1 371.485 0.874 20 0 FCADMP Cn1c2[nH]c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)nc2c(=O)n(C)c1=O ZINC000879250444 1210475912 /nfs/dbraw/zinc/47/59/12/1210475912.db2.gz VQPZECSFBXLUFJ-UHFFFAOYSA-N 2 1 360.462 0.268 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091684 1225218102 /nfs/dbraw/zinc/21/81/02/1225218102.db2.gz UEEYOINQHPBZIT-XHSDSOJGSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091684 1225218109 /nfs/dbraw/zinc/21/81/09/1225218109.db2.gz UEEYOINQHPBZIT-XHSDSOJGSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091684 1225218114 /nfs/dbraw/zinc/21/81/14/1225218114.db2.gz UEEYOINQHPBZIT-XHSDSOJGSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001221091684 1225218118 /nfs/dbraw/zinc/21/81/18/1225218118.db2.gz UEEYOINQHPBZIT-XHSDSOJGSA-N 2 1 363.458 0.328 20 0 FCADMP CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000880310900 1210526523 /nfs/dbraw/zinc/52/65/23/1210526523.db2.gz OAEPUAVPQVYWBL-NXHRZFHOSA-N 2 1 371.485 0.529 20 0 FCADMP CC[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000883099194 1210652288 /nfs/dbraw/zinc/65/22/88/1210652288.db2.gz MCUZKXNLXLCNMW-INIZCTEOSA-N 2 1 361.494 0.382 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000883099194 1210652292 /nfs/dbraw/zinc/65/22/92/1210652292.db2.gz MCUZKXNLXLCNMW-INIZCTEOSA-N 2 1 361.494 0.382 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883331899 1210662497 /nfs/dbraw/zinc/66/24/97/1210662497.db2.gz JFNAMQNIVGBXBS-KZNAEPCWSA-N 2 1 366.506 0.792 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883604024 1210672917 /nfs/dbraw/zinc/67/29/17/1210672917.db2.gz KQUZGIGSWLTWFO-FUHWJXTLSA-N 2 1 371.485 0.730 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604023 1210672931 /nfs/dbraw/zinc/67/29/31/1210672931.db2.gz KQUZGIGSWLTWFO-AEFFLSMTSA-N 2 1 371.485 0.730 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883606629 1210673693 /nfs/dbraw/zinc/67/36/93/1210673693.db2.gz XZTWRYMWHAKIDT-QZTJIDSGSA-N 2 1 371.485 0.859 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883612131 1210675300 /nfs/dbraw/zinc/67/53/00/1210675300.db2.gz SYCXBTUFRQTSES-BMGDILEWSA-N 2 1 371.485 0.776 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000883647298 1210679023 /nfs/dbraw/zinc/67/90/23/1210679023.db2.gz QDWCJAQWRHJDPJ-QGZVFWFLSA-N 2 1 362.474 0.578 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000889333032 1210703345 /nfs/dbraw/zinc/70/33/45/1210703345.db2.gz RGJCLSHIOCRVLM-HOTGVXAUSA-N 3 1 370.542 0.020 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000889333032 1210703346 /nfs/dbraw/zinc/70/33/46/1210703346.db2.gz RGJCLSHIOCRVLM-HOTGVXAUSA-N 3 1 370.542 0.020 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884179005 1210719610 /nfs/dbraw/zinc/71/96/10/1210719610.db2.gz BRRPSMBOEOBYMF-KRWDZBQOSA-N 2 1 359.474 0.428 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000884488824 1210738655 /nfs/dbraw/zinc/73/86/55/1210738655.db2.gz HVHJBXZHYHYWQE-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884503566 1210740447 /nfs/dbraw/zinc/74/04/47/1210740447.db2.gz NZLWICIRTKZOCL-QRVBRYPASA-N 2 1 370.497 0.630 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000884508270 1210741384 /nfs/dbraw/zinc/74/13/84/1210741384.db2.gz ZGOMVJBTBPZZOF-HNNXBMFYSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000884522693 1210744317 /nfs/dbraw/zinc/74/43/17/1210744317.db2.gz FRGKNVCBMBOLRP-JCGIZDLHSA-N 2 1 356.470 0.512 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884522693 1210744325 /nfs/dbraw/zinc/74/43/25/1210744325.db2.gz FRGKNVCBMBOLRP-JCGIZDLHSA-N 2 1 356.470 0.512 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884533082 1210745756 /nfs/dbraw/zinc/74/57/56/1210745756.db2.gz YTNPLTUALRVFHS-HAYURNKSSA-N 2 1 370.497 0.832 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884532728 1210745867 /nfs/dbraw/zinc/74/58/67/1210745867.db2.gz PBVIWWKIPDCNRY-AHCXZYCDSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884555459 1210749822 /nfs/dbraw/zinc/74/98/22/1210749822.db2.gz RRHNMNPGSGKUHH-QBIMZIAESA-N 2 1 356.470 0.416 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000884559682 1210751194 /nfs/dbraw/zinc/75/11/94/1210751194.db2.gz BJFDCLFJLZSKSN-FGTMMUONSA-N 2 1 374.485 0.042 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572791 1210754408 /nfs/dbraw/zinc/75/44/08/1210754408.db2.gz VYTDUXCDFWPSBV-CWLKWCNXSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884576425 1210754894 /nfs/dbraw/zinc/75/48/94/1210754894.db2.gz HIIAFXOLAFHVBK-FUHWJXTLSA-N 2 1 360.502 0.911 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884598084 1210759314 /nfs/dbraw/zinc/75/93/14/1210759314.db2.gz SGTPPBGPEQLRDP-QAQDUYKDSA-N 2 1 367.538 0.154 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616983 1210763301 /nfs/dbraw/zinc/76/33/01/1210763301.db2.gz FULRSSNUCJSOGK-HOTGVXAUSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000884649448 1210772680 /nfs/dbraw/zinc/77/26/80/1210772680.db2.gz DBHWCFAHZYHQIN-HKUYNNGSSA-N 2 1 370.497 0.950 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000884650894 1210772935 /nfs/dbraw/zinc/77/29/35/1210772935.db2.gz YOQFNGFYYAJGSX-QGZVFWFLSA-N 2 1 362.474 0.626 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000884660098 1210773855 /nfs/dbraw/zinc/77/38/55/1210773855.db2.gz LHYFVIUZDRFZCQ-BZSNNMDCSA-N 2 1 356.470 0.586 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000884661568 1210774522 /nfs/dbraw/zinc/77/45/22/1210774522.db2.gz VEVKDMVTCMGTSO-IAGOWNOFSA-N 2 1 362.449 0.727 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669652 1210775661 /nfs/dbraw/zinc/77/56/61/1210775661.db2.gz CDWVOKUCFJDFAN-ZWKOTPCHSA-N 2 1 356.470 0.692 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884670155 1210775858 /nfs/dbraw/zinc/77/58/58/1210775858.db2.gz QFLUZTSSAJKCPV-BRWVUGGUSA-N 2 1 367.538 0.010 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669791 1210776282 /nfs/dbraw/zinc/77/62/82/1210776282.db2.gz HAPREJGXKATXAT-ARFHVFGLSA-N 2 1 364.490 0.004 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)c1 ZINC000884673865 1210776720 /nfs/dbraw/zinc/77/67/20/1210776720.db2.gz HUQCXQYZQOGPLA-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)c1 ZINC000884673865 1210776727 /nfs/dbraw/zinc/77/67/27/1210776727.db2.gz HUQCXQYZQOGPLA-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884675851 1210777614 /nfs/dbraw/zinc/77/76/14/1210777614.db2.gz RRKMAPXDKYNCTA-FXAWDEMLSA-N 2 1 358.486 0.693 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884701874 1210783676 /nfs/dbraw/zinc/78/36/76/1210783676.db2.gz QQVINMKQJVEBAI-CGTJXYLNSA-N 2 1 360.502 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721120 1210788490 /nfs/dbraw/zinc/78/84/90/1210788490.db2.gz AUSFCQOSGKSLCM-VQIMIIECSA-N 2 1 370.497 0.907 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000884724425 1210789684 /nfs/dbraw/zinc/78/96/84/1210789684.db2.gz SUSLAITVRWXGCG-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884783046 1210794412 /nfs/dbraw/zinc/79/44/12/1210794412.db2.gz PDXTZALXYLNECA-ZIAGYGMSSA-N 2 1 372.460 0.871 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884796563 1210796492 /nfs/dbraw/zinc/79/64/92/1210796492.db2.gz JCPMFKILAKTQSD-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884796563 1210796496 /nfs/dbraw/zinc/79/64/96/1210796496.db2.gz JCPMFKILAKTQSD-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884797294 1210797102 /nfs/dbraw/zinc/79/71/02/1210797102.db2.gz RPDKASXNKUTCCH-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884797294 1210797106 /nfs/dbraw/zinc/79/71/06/1210797106.db2.gz RPDKASXNKUTCCH-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884812757 1210797656 /nfs/dbraw/zinc/79/76/56/1210797656.db2.gz ZMFUNPNGIBDBEL-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884833078 1210799812 /nfs/dbraw/zinc/79/98/12/1210799812.db2.gz FVWRSDLQLPGGRB-BPQIPLTHSA-N 2 1 374.485 0.057 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835244 1210800387 /nfs/dbraw/zinc/80/03/87/1210800387.db2.gz NMLKMHKNAXDGND-RYRKJORJSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884881756 1210802395 /nfs/dbraw/zinc/80/23/95/1210802395.db2.gz ILFFOYGGAVGBPB-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884881756 1210802396 /nfs/dbraw/zinc/80/23/96/1210802396.db2.gz ILFFOYGGAVGBPB-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc3ccccc3)CC[C@H]21 ZINC000884895785 1210803196 /nfs/dbraw/zinc/80/31/96/1210803196.db2.gz NJLXRUNAJTYVIJ-FGTMMUONSA-N 2 1 358.486 0.615 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884890123 1210803385 /nfs/dbraw/zinc/80/33/85/1210803385.db2.gz PZNMSZCNNRXFIK-ZWKOTPCHSA-N 2 1 360.502 0.863 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884966687 1210805810 /nfs/dbraw/zinc/80/58/10/1210805810.db2.gz QEIUIBDJFKJPPC-OAHLLOKOSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)C2)cc1 ZINC000884982844 1210806625 /nfs/dbraw/zinc/80/66/25/1210806625.db2.gz KQJWJNATYPGUEQ-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)C2)cc1 ZINC000884982839 1210806634 /nfs/dbraw/zinc/80/66/34/1210806634.db2.gz KQJWJNATYPGUEQ-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000884983278 1210807015 /nfs/dbraw/zinc/80/70/15/1210807015.db2.gz QAKJYPQIWKPKRQ-ROUUACIJSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000884983473 1210807075 /nfs/dbraw/zinc/80/70/75/1210807075.db2.gz JSWWJVWPFDBDRY-SJLPKXTDSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000884983473 1210807076 /nfs/dbraw/zinc/80/70/76/1210807076.db2.gz JSWWJVWPFDBDRY-SJLPKXTDSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)c1 ZINC000885019045 1210809026 /nfs/dbraw/zinc/80/90/26/1210809026.db2.gz YBANMQLDUKTLJU-ROUUACIJSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)c1 ZINC000885019045 1210809028 /nfs/dbraw/zinc/80/90/28/1210809028.db2.gz YBANMQLDUKTLJU-ROUUACIJSA-N 2 1 374.485 0.119 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885141323 1210812185 /nfs/dbraw/zinc/81/21/85/1210812185.db2.gz LWYXMRHCZNGGRN-HOTGVXAUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885154429 1210813522 /nfs/dbraw/zinc/81/35/22/1210813522.db2.gz WLMUQMCAPPJEQR-ZTFGCOKTSA-N 2 1 358.486 0.616 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885162627 1210813985 /nfs/dbraw/zinc/81/39/85/1210813985.db2.gz QJIOGLSDAJVHQD-QYZOEREBSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001691715744 1210842234 /nfs/dbraw/zinc/84/22/34/1210842234.db2.gz WHLUCXCYCXOZOA-KFWWJZLASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001691715744 1210842236 /nfs/dbraw/zinc/84/22/36/1210842236.db2.gz WHLUCXCYCXOZOA-KFWWJZLASA-N 2 1 359.536 0.588 20 0 FCADMP COCCOC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203686 1210911819 /nfs/dbraw/zinc/91/18/19/1210911819.db2.gz OKRWPWFPHYWIQI-GOSISDBHSA-N 2 1 369.506 0.378 20 0 FCADMP COCCOC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203686 1210911823 /nfs/dbraw/zinc/91/18/23/1210911823.db2.gz OKRWPWFPHYWIQI-GOSISDBHSA-N 2 1 369.506 0.378 20 0 FCADMP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000889754360 1210947089 /nfs/dbraw/zinc/94/70/89/1210947089.db2.gz OWWSIOOXYBQQDK-SFHVURJKSA-N 2 1 373.501 0.977 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)n2C ZINC000889760410 1210948022 /nfs/dbraw/zinc/94/80/22/1210948022.db2.gz FYWFYQHYICFVSQ-LSDHHAIUSA-N 2 1 372.473 0.706 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890139620 1210968931 /nfs/dbraw/zinc/96/89/31/1210968931.db2.gz WSPIHJOLNBIVSJ-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001274419401 1211049820 /nfs/dbraw/zinc/04/98/20/1211049820.db2.gz SHVWUQTWFJKIAT-PXNSSMCTSA-N 2 1 362.518 0.731 20 0 FCADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN1CC[NH+](C)CC1 ZINC001274513391 1211071474 /nfs/dbraw/zinc/07/14/74/1211071474.db2.gz BOWZZRUAIFMPRE-YQQQUEKLSA-N 2 1 365.566 0.687 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001274576479 1211083854 /nfs/dbraw/zinc/08/38/54/1211083854.db2.gz YYVLNCBQQQOLKO-QGZVFWFLSA-N 2 1 366.506 0.108 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001274576479 1211083857 /nfs/dbraw/zinc/08/38/57/1211083857.db2.gz YYVLNCBQQQOLKO-QGZVFWFLSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068639 1211173703 /nfs/dbraw/zinc/17/37/03/1211173703.db2.gz JTKWMASBEHORPG-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068639 1211173704 /nfs/dbraw/zinc/17/37/04/1211173704.db2.gz JTKWMASBEHORPG-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068639 1211173705 /nfs/dbraw/zinc/17/37/05/1211173705.db2.gz JTKWMASBEHORPG-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCOC2)CC1 ZINC001275141521 1211178789 /nfs/dbraw/zinc/17/87/89/1211178789.db2.gz GMVBWWYWRWILGK-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCOC2)CC1 ZINC001275141521 1211178792 /nfs/dbraw/zinc/17/87/92/1211178792.db2.gz GMVBWWYWRWILGK-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCOC2)CC1 ZINC001275141521 1211178795 /nfs/dbraw/zinc/17/87/95/1211178795.db2.gz GMVBWWYWRWILGK-GUDVDZBRSA-N 2 1 364.534 0.726 20 0 FCADMP Cn1cccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275190168 1211194172 /nfs/dbraw/zinc/19/41/72/1211194172.db2.gz CHNPGLAMQOZCHV-IBGZPJMESA-N 2 1 357.458 0.973 20 0 FCADMP COc1cncc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001275423097 1211234062 /nfs/dbraw/zinc/23/40/62/1211234062.db2.gz HZXSGLTWCYAGSV-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O)OC ZINC001275443578 1211238584 /nfs/dbraw/zinc/23/85/84/1211238584.db2.gz QMARDSYVYYMVKL-GOSISDBHSA-N 2 1 362.430 0.454 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O)OC ZINC001275443578 1211238586 /nfs/dbraw/zinc/23/85/86/1211238586.db2.gz QMARDSYVYYMVKL-GOSISDBHSA-N 2 1 362.430 0.454 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555226 1211255980 /nfs/dbraw/zinc/25/59/80/1211255980.db2.gz PFMHLVXLBYMWME-IBGZPJMESA-N 2 1 361.490 0.565 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556726 1211256431 /nfs/dbraw/zinc/25/64/31/1211256431.db2.gz OWHNOKWKOCJNDT-APWZRJJASA-N 2 1 366.506 0.143 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(C[C@@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001275557030 1211257095 /nfs/dbraw/zinc/25/70/95/1211257095.db2.gz SVBJOGXYPRIHMC-MRXNPFEDSA-N 2 1 367.490 0.393 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)nc1 ZINC001275603800 1211263217 /nfs/dbraw/zinc/26/32/17/1211263217.db2.gz MQOUZIIQFBTUPO-LJQANCHMSA-N 2 1 360.458 0.854 20 0 FCADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221242968 1225279045 /nfs/dbraw/zinc/27/90/45/1225279045.db2.gz DATJFZQAVXKCSO-YZVOILCLSA-N 2 1 368.522 0.720 20 0 FCADMP NC(=O)CCCCCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737463 1211278945 /nfs/dbraw/zinc/27/89/45/1211278945.db2.gz KVTDVZLXMPABSZ-LJQANCHMSA-N 2 1 366.506 0.335 20 0 FCADMP CCOC(=O)CCCCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738043 1211279347 /nfs/dbraw/zinc/27/93/47/1211279347.db2.gz SFIZIPMTOKOCGY-UHFFFAOYSA-N 2 1 367.490 0.633 20 0 FCADMP CCOC(=O)[C@@H](C)N1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001275880222 1211304639 /nfs/dbraw/zinc/30/46/39/1211304639.db2.gz SONTYFGAXLRYEX-OAHLLOKOSA-N 2 1 367.490 0.583 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879148 1211305741 /nfs/dbraw/zinc/30/57/41/1211305741.db2.gz OCUGDEYPSGBFBI-BEFAXECRSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879148 1211305742 /nfs/dbraw/zinc/30/57/42/1211305742.db2.gz OCUGDEYPSGBFBI-BEFAXECRSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879148 1211305745 /nfs/dbraw/zinc/30/57/45/1211305745.db2.gz OCUGDEYPSGBFBI-BEFAXECRSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879148 1211305746 /nfs/dbraw/zinc/30/57/46/1211305746.db2.gz OCUGDEYPSGBFBI-BEFAXECRSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)N1CCC(C[N@H+]2C[C@]3(F)CN(CC[NH+](C)C)C(=O)[C@]3(F)C2)CC1 ZINC001275893176 1211307330 /nfs/dbraw/zinc/30/73/30/1211307330.db2.gz TTYYZQPGMDLKSI-ZWKOTPCHSA-N 2 1 372.460 0.381 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2C[C@]3(F)CN(CC[NH+](C)C)C(=O)[C@]3(F)C2)CC1 ZINC001275893176 1211307331 /nfs/dbraw/zinc/30/73/31/1211307331.db2.gz TTYYZQPGMDLKSI-ZWKOTPCHSA-N 2 1 372.460 0.381 20 0 FCADMP CCOc1ccncc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275941234 1211314699 /nfs/dbraw/zinc/31/46/99/1211314699.db2.gz NQDZFWIFSINSPZ-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1ccncc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275941234 1211314702 /nfs/dbraw/zinc/31/47/02/1211314702.db2.gz NQDZFWIFSINSPZ-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP COc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275958957 1211317844 /nfs/dbraw/zinc/31/78/44/1211317844.db2.gz NEEYSAAJHDESRA-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1cccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275958957 1211317846 /nfs/dbraw/zinc/31/78/46/1211317846.db2.gz NEEYSAAJHDESRA-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)n1 ZINC001095432189 1211335167 /nfs/dbraw/zinc/33/51/67/1211335167.db2.gz VWQWNDKGGIJQEY-NJAFHUGGSA-N 2 1 371.489 0.677 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606144 1211423675 /nfs/dbraw/zinc/42/36/75/1211423675.db2.gz TYEIBAASNDPFCN-UGUYLWEFSA-N 2 1 374.485 0.389 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606144 1211423679 /nfs/dbraw/zinc/42/36/79/1211423679.db2.gz TYEIBAASNDPFCN-UGUYLWEFSA-N 2 1 374.485 0.389 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)O1 ZINC001095611410 1211426535 /nfs/dbraw/zinc/42/65/35/1211426535.db2.gz PVFLKRBOALWSAK-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)O1 ZINC001095611410 1211426537 /nfs/dbraw/zinc/42/65/37/1211426537.db2.gz PVFLKRBOALWSAK-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccnn2C)O1 ZINC001095611410 1211426543 /nfs/dbraw/zinc/42/65/43/1211426543.db2.gz PVFLKRBOALWSAK-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)O1 ZINC001095611410 1211426545 /nfs/dbraw/zinc/42/65/45/1211426545.db2.gz PVFLKRBOALWSAK-FWEDZOCSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592030 1211438653 /nfs/dbraw/zinc/43/86/53/1211438653.db2.gz BOKGIJDNSIRDHU-KXBFYZLASA-N 2 1 361.490 0.973 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000924662739 1211476672 /nfs/dbraw/zinc/47/66/72/1211476672.db2.gz HQTBVJAOZZTYRX-AWEZNQCLSA-N 2 1 363.462 0.926 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000924662739 1211476674 /nfs/dbraw/zinc/47/66/74/1211476674.db2.gz HQTBVJAOZZTYRX-AWEZNQCLSA-N 2 1 363.462 0.926 20 0 FCADMP O=C(CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)N1CCN(c2ncccn2)CC1 ZINC000925561319 1211502470 /nfs/dbraw/zinc/50/24/70/1211502470.db2.gz ZPUVLSMPDNUEEV-BBZRVKOSSA-N 2 1 356.474 0.101 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347193 1211536185 /nfs/dbraw/zinc/53/61/85/1211536185.db2.gz DFECZISULAPIJN-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961684 1211617726 /nfs/dbraw/zinc/61/77/26/1211617726.db2.gz DTYQCSMRIRQMLE-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961684 1211617730 /nfs/dbraw/zinc/61/77/30/1211617730.db2.gz DTYQCSMRIRQMLE-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000929356760 1211632729 /nfs/dbraw/zinc/63/27/29/1211632729.db2.gz ZXGNRYBVWWAXQB-KRWDZBQOSA-N 2 1 362.449 0.727 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000929356760 1211632732 /nfs/dbraw/zinc/63/27/32/1211632732.db2.gz ZXGNRYBVWWAXQB-KRWDZBQOSA-N 2 1 362.449 0.727 20 0 FCADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404060 1225307141 /nfs/dbraw/zinc/30/71/41/1225307141.db2.gz GISHEMDJIOKWEG-IAGOWNOFSA-N 3 1 362.474 0.264 20 0 FCADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404060 1225307147 /nfs/dbraw/zinc/30/71/47/1225307147.db2.gz GISHEMDJIOKWEG-IAGOWNOFSA-N 2 1 362.474 0.264 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001110982257 1211691840 /nfs/dbraw/zinc/69/18/40/1211691840.db2.gz SENPJXALSYDEFB-KFWWJZLASA-N 2 1 363.510 0.644 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001110982257 1211691844 /nfs/dbraw/zinc/69/18/44/1211691844.db2.gz SENPJXALSYDEFB-KFWWJZLASA-N 2 1 363.510 0.644 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393380 1211705769 /nfs/dbraw/zinc/70/57/69/1211705769.db2.gz BEEOKOSMCHLTAB-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393380 1211705772 /nfs/dbraw/zinc/70/57/72/1211705772.db2.gz BEEOKOSMCHLTAB-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000930393380 1211705775 /nfs/dbraw/zinc/70/57/75/1211705775.db2.gz BEEOKOSMCHLTAB-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000930393380 1211705778 /nfs/dbraw/zinc/70/57/78/1211705778.db2.gz BEEOKOSMCHLTAB-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000930719356 1211719607 /nfs/dbraw/zinc/71/96/07/1211719607.db2.gz ASUIMRBBELQRMR-KRWDZBQOSA-N 2 1 359.474 0.897 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889563 1211780650 /nfs/dbraw/zinc/78/06/50/1211780650.db2.gz DZOMZPIGJOLGSH-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889563 1211780656 /nfs/dbraw/zinc/78/06/56/1211780656.db2.gz DZOMZPIGJOLGSH-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889563 1211780659 /nfs/dbraw/zinc/78/06/59/1211780659.db2.gz DZOMZPIGJOLGSH-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931889563 1211780663 /nfs/dbraw/zinc/78/06/63/1211780663.db2.gz DZOMZPIGJOLGSH-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]c1 ZINC000932800020 1211822768 /nfs/dbraw/zinc/82/27/68/1211822768.db2.gz FYPBKVWJLSNECA-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]c1 ZINC000932800020 1211822769 /nfs/dbraw/zinc/82/27/69/1211822769.db2.gz FYPBKVWJLSNECA-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197956 1211923832 /nfs/dbraw/zinc/92/38/32/1211923832.db2.gz AFTGZSMOCNFMPJ-SRABZTEZSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197956 1211923833 /nfs/dbraw/zinc/92/38/33/1211923833.db2.gz AFTGZSMOCNFMPJ-SRABZTEZSA-N 2 1 366.506 0.295 20 0 FCADMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001111277479 1212204329 /nfs/dbraw/zinc/20/43/29/1212204329.db2.gz UGGCCTZRNKDGFK-ZACQAIPSSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001111277479 1212204334 /nfs/dbraw/zinc/20/43/34/1212204334.db2.gz UGGCCTZRNKDGFK-ZACQAIPSSA-N 2 1 362.474 0.890 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098886 1212291496 /nfs/dbraw/zinc/29/14/96/1212291496.db2.gz JUKVTUMIBYNHQW-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H](C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394914 1212370217 /nfs/dbraw/zinc/37/02/17/1212370217.db2.gz JHYDUAWUJIFJAZ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@@H](C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394914 1212370221 /nfs/dbraw/zinc/37/02/21/1212370221.db2.gz JHYDUAWUJIFJAZ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@@H](C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394914 1212370226 /nfs/dbraw/zinc/37/02/26/1212370226.db2.gz JHYDUAWUJIFJAZ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@@H](C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394914 1212370228 /nfs/dbraw/zinc/37/02/28/1212370228.db2.gz JHYDUAWUJIFJAZ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001221557454 1225367408 /nfs/dbraw/zinc/36/74/08/1225367408.db2.gz OIXNCFULXYPUHR-KZNAEPCWSA-N 2 1 360.502 0.387 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001221557454 1225367418 /nfs/dbraw/zinc/36/74/18/1225367418.db2.gz OIXNCFULXYPUHR-KZNAEPCWSA-N 2 1 360.502 0.387 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001221557453 1225365592 /nfs/dbraw/zinc/36/55/92/1225365592.db2.gz OIXNCFULXYPUHR-FGTMMUONSA-N 2 1 360.502 0.387 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001221557453 1225365596 /nfs/dbraw/zinc/36/55/96/1225365596.db2.gz OIXNCFULXYPUHR-FGTMMUONSA-N 2 1 360.502 0.387 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555804 1225365613 /nfs/dbraw/zinc/36/56/13/1225365613.db2.gz ZLMSCUHWBMBLNB-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555804 1225365617 /nfs/dbraw/zinc/36/56/17/1225365617.db2.gz ZLMSCUHWBMBLNB-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949858301 1212474238 /nfs/dbraw/zinc/47/42/38/1212474238.db2.gz AGSHZNALTZOGAI-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949858301 1212474241 /nfs/dbraw/zinc/47/42/41/1212474241.db2.gz AGSHZNALTZOGAI-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CCn1cc(CC[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624900 1212540511 /nfs/dbraw/zinc/54/05/11/1212540511.db2.gz PRWQGRAZAPTOQU-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624900 1212540515 /nfs/dbraw/zinc/54/05/15/1212540515.db2.gz PRWQGRAZAPTOQU-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624900 1212540522 /nfs/dbraw/zinc/54/05/22/1212540522.db2.gz PRWQGRAZAPTOQU-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624900 1212540528 /nfs/dbraw/zinc/54/05/28/1212540528.db2.gz PRWQGRAZAPTOQU-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3cnc(F)cn3)CC2)CC[N@H+]1C ZINC001111323526 1212643125 /nfs/dbraw/zinc/64/31/25/1212643125.db2.gz HFQMRIXFFFBXDO-UKRRQHHQSA-N 2 1 364.469 0.948 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1C ZINC000950786343 1212670360 /nfs/dbraw/zinc/67/03/60/1212670360.db2.gz TVVOKIJZXLCCTB-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000951082326 1212758939 /nfs/dbraw/zinc/75/89/39/1212758939.db2.gz UWIRXEQKWTYXPA-XOKHGSTOSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000951082326 1212758942 /nfs/dbraw/zinc/75/89/42/1212758942.db2.gz UWIRXEQKWTYXPA-XOKHGSTOSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC001009120497 1212807206 /nfs/dbraw/zinc/80/72/06/1212807206.db2.gz RBFLXCHKOYEXOH-FGTAOJJYSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC001009120497 1212807207 /nfs/dbraw/zinc/80/72/07/1212807207.db2.gz RBFLXCHKOYEXOH-FGTAOJJYSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC001009120497 1212807212 /nfs/dbraw/zinc/80/72/12/1212807212.db2.gz RBFLXCHKOYEXOH-FGTAOJJYSA-N 2 1 362.518 0.632 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616796 1225400597 /nfs/dbraw/zinc/40/05/97/1225400597.db2.gz VGQMPVDZHUDPJG-HZPDHXFCSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616796 1225400600 /nfs/dbraw/zinc/40/06/00/1225400600.db2.gz VGQMPVDZHUDPJG-HZPDHXFCSA-N 2 1 365.522 0.711 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616768 1225400873 /nfs/dbraw/zinc/40/08/73/1225400873.db2.gz UKZXZPPZKYAAGX-KURKYZTESA-N 2 1 363.506 0.773 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616768 1225400875 /nfs/dbraw/zinc/40/08/75/1225400875.db2.gz UKZXZPPZKYAAGX-KURKYZTESA-N 2 1 363.506 0.773 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)CC[N@H+]1C ZINC000952293813 1212935071 /nfs/dbraw/zinc/93/50/71/1212935071.db2.gz NUSSBNRNLRLUAG-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000952293813 1212935073 /nfs/dbraw/zinc/93/50/73/1212935073.db2.gz NUSSBNRNLRLUAG-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000952293813 1212935077 /nfs/dbraw/zinc/93/50/77/1212935077.db2.gz NUSSBNRNLRLUAG-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000952293813 1212935081 /nfs/dbraw/zinc/93/50/81/1212935081.db2.gz NUSSBNRNLRLUAG-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000952293813 1212935085 /nfs/dbraw/zinc/93/50/85/1212935085.db2.gz NUSSBNRNLRLUAG-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001095863608 1212974246 /nfs/dbraw/zinc/97/42/46/1212974246.db2.gz WSNGQWXBZOVTHK-PMPSAXMXSA-N 2 1 363.506 0.608 20 0 FCADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001095863608 1212974249 /nfs/dbraw/zinc/97/42/49/1212974249.db2.gz WSNGQWXBZOVTHK-PMPSAXMXSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954649683 1213097519 /nfs/dbraw/zinc/09/75/19/1213097519.db2.gz RVESJSULIAFGRA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954649683 1213097523 /nfs/dbraw/zinc/09/75/23/1213097523.db2.gz RVESJSULIAFGRA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954649683 1213097524 /nfs/dbraw/zinc/09/75/24/1213097524.db2.gz RVESJSULIAFGRA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954649683 1213097527 /nfs/dbraw/zinc/09/75/27/1213097527.db2.gz RVESJSULIAFGRA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954649683 1213097530 /nfs/dbraw/zinc/09/75/30/1213097530.db2.gz RVESJSULIAFGRA-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@H+]1C ZINC000954774936 1213110005 /nfs/dbraw/zinc/11/00/05/1213110005.db2.gz VIRHMSDKRROIGI-CXAGYDPISA-N 2 1 355.442 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CCc3nccn3C)C2)CC[N@H+]1C ZINC000957012586 1213230743 /nfs/dbraw/zinc/23/07/43/1213230743.db2.gz KTBWGDKAASBNCZ-CLCXKQKWSA-N 2 1 361.490 0.800 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701527 1225448634 /nfs/dbraw/zinc/44/86/34/1225448634.db2.gz SNSQCNKXXOQFKC-MOXMWUHRSA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)OCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701527 1225448637 /nfs/dbraw/zinc/44/86/37/1225448637.db2.gz SNSQCNKXXOQFKC-MOXMWUHRSA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)OCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701527 1225448642 /nfs/dbraw/zinc/44/86/42/1225448642.db2.gz SNSQCNKXXOQFKC-MOXMWUHRSA-N 2 1 363.502 0.807 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC000958860429 1213443601 /nfs/dbraw/zinc/44/36/01/1213443601.db2.gz QENNKHJGUFQROA-QEOTZNIISA-N 2 1 368.522 0.087 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC000960043038 1213593137 /nfs/dbraw/zinc/59/31/37/1213593137.db2.gz AOVQLTOCCAIIOL-FHLIZLRMSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC000960043038 1213593141 /nfs/dbraw/zinc/59/31/41/1213593141.db2.gz AOVQLTOCCAIIOL-FHLIZLRMSA-N 2 1 361.490 0.975 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001221771886 1225476441 /nfs/dbraw/zinc/47/64/41/1225476441.db2.gz IYHKNIUSJAOKEC-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001221771886 1225476446 /nfs/dbraw/zinc/47/64/46/1225476446.db2.gz IYHKNIUSJAOKEC-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001221787176 1225481423 /nfs/dbraw/zinc/48/14/23/1225481423.db2.gz MEQIQPLRLVYEPU-SJLPKXTDSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001221787176 1225481426 /nfs/dbraw/zinc/48/14/26/1225481426.db2.gz MEQIQPLRLVYEPU-SJLPKXTDSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)CC[N@H+]1C ZINC001011208242 1213847886 /nfs/dbraw/zinc/84/78/86/1213847886.db2.gz OSZLMZAZMAZYES-RHSMWYFYSA-N 2 1 355.442 0.959 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011251749 1213857660 /nfs/dbraw/zinc/85/76/60/1213857660.db2.gz BTGUYCODGDNATL-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011251749 1213857664 /nfs/dbraw/zinc/85/76/64/1213857664.db2.gz BTGUYCODGDNATL-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011251749 1213857667 /nfs/dbraw/zinc/85/76/67/1213857667.db2.gz BTGUYCODGDNATL-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011251749 1213857674 /nfs/dbraw/zinc/85/76/74/1213857674.db2.gz BTGUYCODGDNATL-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001221811904 1225488707 /nfs/dbraw/zinc/48/87/07/1225488707.db2.gz OPHZPCBPSGBAKY-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001221811904 1225488710 /nfs/dbraw/zinc/48/87/10/1225488710.db2.gz OPHZPCBPSGBAKY-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@H+]1C ZINC001014477652 1213964049 /nfs/dbraw/zinc/96/40/49/1213964049.db2.gz YCWCEGXGBIUAKY-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc4c(c3)nnn4C)C2)CC[NH+]1C ZINC001014477652 1213964058 /nfs/dbraw/zinc/96/40/58/1213964058.db2.gz YCWCEGXGBIUAKY-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc4c(c3)nnn4C)C2)CC[NH+]1C ZINC001014477652 1213964067 /nfs/dbraw/zinc/96/40/67/1213964067.db2.gz YCWCEGXGBIUAKY-VNQPRFMTSA-N 2 1 356.474 0.999 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001221811903 1225489027 /nfs/dbraw/zinc/48/90/27/1225489027.db2.gz OPHZPCBPSGBAKY-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001221811903 1225489033 /nfs/dbraw/zinc/48/90/33/1225489033.db2.gz OPHZPCBPSGBAKY-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960968413 1214043800 /nfs/dbraw/zinc/04/38/00/1214043800.db2.gz IFJSPVHMZAQLIZ-LUKYLMHMSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001017490979 1214103261 /nfs/dbraw/zinc/10/32/61/1214103261.db2.gz XOYLIJIGRXENDK-NVXWUHKLSA-N 2 1 359.474 0.807 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001017490979 1214103264 /nfs/dbraw/zinc/10/32/64/1214103264.db2.gz XOYLIJIGRXENDK-NVXWUHKLSA-N 2 1 359.474 0.807 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276825592 1225502232 /nfs/dbraw/zinc/50/22/32/1225502232.db2.gz VTVKEDWGBFDPDL-QRVBRYPASA-N 2 1 366.550 0.706 20 0 FCADMP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276825592 1225502234 /nfs/dbraw/zinc/50/22/34/1225502234.db2.gz VTVKEDWGBFDPDL-QRVBRYPASA-N 2 1 366.550 0.706 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276825592 1225502239 /nfs/dbraw/zinc/50/22/39/1225502239.db2.gz VTVKEDWGBFDPDL-QRVBRYPASA-N 2 1 366.550 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001017547571 1214116770 /nfs/dbraw/zinc/11/67/70/1214116770.db2.gz NARSTADNLYZONU-CRAIPNDOSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001017564724 1214118370 /nfs/dbraw/zinc/11/83/70/1214118370.db2.gz QXTLJTVUQXMYFF-FTWQHDNSSA-N 2 1 365.518 0.789 20 0 FCADMP COCCCC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276370378 1214159736 /nfs/dbraw/zinc/15/97/36/1214159736.db2.gz ZGQNZAHRNLIQFF-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP COCCCC[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276370378 1214159739 /nfs/dbraw/zinc/15/97/39/1214159739.db2.gz ZGQNZAHRNLIQFF-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP COCCCC[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276370378 1214159741 /nfs/dbraw/zinc/15/97/41/1214159741.db2.gz ZGQNZAHRNLIQFF-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@@H]3C2)CC[NH+]1C ZINC000961665528 1214261856 /nfs/dbraw/zinc/26/18/56/1214261856.db2.gz WRTQGSWHMSUMQD-IGKNDFSCSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961665528 1214261857 /nfs/dbraw/zinc/26/18/57/1214261857.db2.gz WRTQGSWHMSUMQD-IGKNDFSCSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@@H]3C2)CC[N@H+]1C ZINC000961665528 1214261862 /nfs/dbraw/zinc/26/18/62/1214261862.db2.gz WRTQGSWHMSUMQD-IGKNDFSCSA-N 2 1 362.518 0.585 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccc(F)cc1 ZINC000419756964 1214288050 /nfs/dbraw/zinc/28/80/50/1214288050.db2.gz HECMJFJVDRGZNY-IBGZPJMESA-N 2 1 362.449 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC001020286751 1214327161 /nfs/dbraw/zinc/32/71/61/1214327161.db2.gz MFBIPSNXCCUPHX-FMKGYKFTSA-N 2 1 371.432 0.814 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC001020286751 1214327172 /nfs/dbraw/zinc/32/71/72/1214327172.db2.gz MFBIPSNXCCUPHX-FMKGYKFTSA-N 2 1 371.432 0.814 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001020288026 1214328970 /nfs/dbraw/zinc/32/89/70/1214328970.db2.gz WDKMFEXUEGJWHS-BASLNEPJSA-N 2 1 360.458 0.241 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001020288026 1214328982 /nfs/dbraw/zinc/32/89/82/1214328982.db2.gz WDKMFEXUEGJWHS-BASLNEPJSA-N 2 1 360.458 0.241 20 0 FCADMP CCCCn1nnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000961857508 1214336660 /nfs/dbraw/zinc/33/66/60/1214336660.db2.gz VJKQHFVAYGHTQZ-PRLABOORSA-N 2 1 363.510 0.798 20 0 FCADMP CCCn1nnnc1C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000961855078 1214336845 /nfs/dbraw/zinc/33/68/45/1214336845.db2.gz KVUCZSZLXYSJKE-SSHXOBKSSA-N 2 1 363.510 0.798 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039867296 1214452194 /nfs/dbraw/zinc/45/21/94/1214452194.db2.gz GOSPVLUYXYKXQU-CLCXKQKWSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039867296 1214452201 /nfs/dbraw/zinc/45/22/01/1214452201.db2.gz GOSPVLUYXYKXQU-CLCXKQKWSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039867296 1214452210 /nfs/dbraw/zinc/45/22/10/1214452210.db2.gz GOSPVLUYXYKXQU-CLCXKQKWSA-N 2 1 368.522 0.137 20 0 FCADMP Cc1ncc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)CC2 ZINC001095934500 1214459188 /nfs/dbraw/zinc/45/91/88/1214459188.db2.gz QLCMNOVUCSGWRL-LMSBXDPUSA-N 2 1 369.473 0.767 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001040450362 1214510931 /nfs/dbraw/zinc/51/09/31/1214510931.db2.gz PGMRKKNQPNGNDO-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001040450362 1214510935 /nfs/dbraw/zinc/51/09/35/1214510935.db2.gz PGMRKKNQPNGNDO-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001040450362 1214510939 /nfs/dbraw/zinc/51/09/39/1214510939.db2.gz PGMRKKNQPNGNDO-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001040707774 1214570761 /nfs/dbraw/zinc/57/07/61/1214570761.db2.gz IFOGDTLWLGIOLD-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221957942 1225552917 /nfs/dbraw/zinc/55/29/17/1225552917.db2.gz CTBCXWCRLIHPKE-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221957942 1225552922 /nfs/dbraw/zinc/55/29/22/1225552922.db2.gz CTBCXWCRLIHPKE-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)c1nnnn1C ZINC000963830985 1214860814 /nfs/dbraw/zinc/86/08/14/1214860814.db2.gz WCVIQEAOQPLQGD-MQCXNYSVSA-N 2 1 361.494 0.628 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnn(C)c2)C3)O1 ZINC000964030227 1214891021 /nfs/dbraw/zinc/89/10/21/1214891021.db2.gz HXRJRONAKPYFIF-UFWSXWLSSA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnn(C)c2)C3)O1 ZINC000964030227 1214891023 /nfs/dbraw/zinc/89/10/23/1214891023.db2.gz HXRJRONAKPYFIF-UFWSXWLSSA-N 2 1 361.490 0.656 20 0 FCADMP CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000964586791 1214981852 /nfs/dbraw/zinc/98/18/52/1214981852.db2.gz QMGQVRQUPMJVMQ-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000964586791 1214981856 /nfs/dbraw/zinc/98/18/56/1214981856.db2.gz QMGQVRQUPMJVMQ-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964983255 1215012153 /nfs/dbraw/zinc/01/21/53/1215012153.db2.gz BRVIXNFQVDZBBF-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000964983255 1215012155 /nfs/dbraw/zinc/01/21/55/1215012155.db2.gz BRVIXNFQVDZBBF-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001222017891 1225577649 /nfs/dbraw/zinc/57/76/49/1225577649.db2.gz AWOWWGZCFQZHBJ-QXAKKESOSA-N 2 1 365.518 0.914 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042574 1225587997 /nfs/dbraw/zinc/58/79/97/1225587997.db2.gz GLHUUEJFTAKNQI-CEXWTWQISA-N 2 1 361.486 0.902 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000968163939 1215292701 /nfs/dbraw/zinc/29/27/01/1215292701.db2.gz IZSXIHDUUZJCSY-DLBZAZTESA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055643135 1215894419 /nfs/dbraw/zinc/89/44/19/1215894419.db2.gz WTLSNZDAJJYMNZ-KXBFYZLASA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055645929 1215896355 /nfs/dbraw/zinc/89/63/55/1215896355.db2.gz MGICRPGNIFVXNO-PVAVHDDUSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967946 1215930173 /nfs/dbraw/zinc/93/01/73/1215930173.db2.gz WHDVKSNVUAISGL-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547996 1215978241 /nfs/dbraw/zinc/97/82/41/1215978241.db2.gz HPUIHRZICNDMGR-QBPKDAKJSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547996 1215978245 /nfs/dbraw/zinc/97/82/45/1215978245.db2.gz HPUIHRZICNDMGR-QBPKDAKJSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001000458307 1216063180 /nfs/dbraw/zinc/06/31/80/1216063180.db2.gz HZHXWSADFQCMOT-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001000458307 1216063183 /nfs/dbraw/zinc/06/31/83/1216063183.db2.gz HZHXWSADFQCMOT-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000476829 1216068811 /nfs/dbraw/zinc/06/88/11/1216068811.db2.gz MTNLWONLHIYSEZ-YVSFHVDLSA-N 2 1 360.502 0.672 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001000696611 1216106694 /nfs/dbraw/zinc/10/66/94/1216106694.db2.gz PYVOHCMNWDOWDJ-DLBZAZTESA-N 2 1 363.506 0.490 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001000696611 1216106697 /nfs/dbraw/zinc/10/66/97/1216106697.db2.gz PYVOHCMNWDOWDJ-DLBZAZTESA-N 2 1 363.506 0.490 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001000696611 1216106701 /nfs/dbraw/zinc/10/67/01/1216106701.db2.gz PYVOHCMNWDOWDJ-DLBZAZTESA-N 2 1 363.506 0.490 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001000695266 1216107183 /nfs/dbraw/zinc/10/71/83/1216107183.db2.gz JOZHWHOREXSIJU-XHSDSOJGSA-N 2 1 362.474 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001000695266 1216107188 /nfs/dbraw/zinc/10/71/88/1216107188.db2.gz JOZHWHOREXSIJU-XHSDSOJGSA-N 2 1 362.474 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001000695266 1216107194 /nfs/dbraw/zinc/10/71/94/1216107194.db2.gz JOZHWHOREXSIJU-XHSDSOJGSA-N 2 1 362.474 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001000695266 1216107212 /nfs/dbraw/zinc/10/72/12/1216107212.db2.gz JOZHWHOREXSIJU-XHSDSOJGSA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001000700428 1216107858 /nfs/dbraw/zinc/10/78/58/1216107858.db2.gz QFMIQFPGQMKFBJ-BPQIPLTHSA-N 2 1 361.490 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001000700428 1216107860 /nfs/dbraw/zinc/10/78/60/1216107860.db2.gz QFMIQFPGQMKFBJ-BPQIPLTHSA-N 2 1 361.490 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001000700428 1216107862 /nfs/dbraw/zinc/10/78/62/1216107862.db2.gz QFMIQFPGQMKFBJ-BPQIPLTHSA-N 2 1 361.490 0.333 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001001421233 1216193918 /nfs/dbraw/zinc/19/39/18/1216193918.db2.gz BCMLRSYMUPPICI-LSDHHAIUSA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001001421233 1216193937 /nfs/dbraw/zinc/19/39/37/1216193937.db2.gz BCMLRSYMUPPICI-LSDHHAIUSA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841923 1225656479 /nfs/dbraw/zinc/65/64/79/1225656479.db2.gz GLUXUSYRGNHLQO-KDOFPFPSSA-N 2 1 361.446 0.632 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001001532536 1216238197 /nfs/dbraw/zinc/23/81/97/1216238197.db2.gz NHFPQSPTNFGKFI-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001001532536 1216238203 /nfs/dbraw/zinc/23/82/03/1216238203.db2.gz NHFPQSPTNFGKFI-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@@H+]1C ZINC001051624481 1216469079 /nfs/dbraw/zinc/46/90/79/1216469079.db2.gz QDVSBVLMHFAHCL-VHDGCEQUSA-N 2 1 362.478 0.339 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@H+]1C ZINC001051624481 1216469082 /nfs/dbraw/zinc/46/90/82/1216469082.db2.gz QDVSBVLMHFAHCL-VHDGCEQUSA-N 2 1 362.478 0.339 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1C ZINC001057883709 1216599436 /nfs/dbraw/zinc/59/94/36/1216599436.db2.gz SRMWRANYFWTDBN-BBWFWOEESA-N 2 1 370.538 0.240 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068406508 1216733138 /nfs/dbraw/zinc/73/31/38/1216733138.db2.gz WCAQCJAQYFIVJU-HZPDHXFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068406508 1216733144 /nfs/dbraw/zinc/73/31/44/1216733144.db2.gz WCAQCJAQYFIVJU-HZPDHXFCSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068406508 1216733149 /nfs/dbraw/zinc/73/31/49/1216733149.db2.gz WCAQCJAQYFIVJU-HZPDHXFCSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)CCC[NH+](C)C)CCO3)CC[N@H+]1C ZINC001068445631 1216737967 /nfs/dbraw/zinc/73/79/67/1216737967.db2.gz IPCWIIFFKXSDLL-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001070025998 1216904141 /nfs/dbraw/zinc/90/41/41/1216904141.db2.gz WGHCVSAKJSGCOS-UAGQMJEPSA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001070025998 1216904147 /nfs/dbraw/zinc/90/41/47/1216904147.db2.gz WGHCVSAKJSGCOS-UAGQMJEPSA-N 2 1 357.462 0.796 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025730 1216904551 /nfs/dbraw/zinc/90/45/51/1216904551.db2.gz GYQOIYLPGQRWME-OIISXLGYSA-N 2 1 357.462 0.797 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025730 1216904555 /nfs/dbraw/zinc/90/45/55/1216904555.db2.gz GYQOIYLPGQRWME-OIISXLGYSA-N 2 1 357.462 0.797 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001070025649 1216904783 /nfs/dbraw/zinc/90/47/83/1216904783.db2.gz BVKXCFTXCWLMFN-JQHSSLGASA-N 2 1 369.473 0.797 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001070025649 1216904786 /nfs/dbraw/zinc/90/47/86/1216904786.db2.gz BVKXCFTXCWLMFN-JQHSSLGASA-N 2 1 369.473 0.797 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045772 1216920654 /nfs/dbraw/zinc/92/06/54/1216920654.db2.gz TXWBEHSPXVWITJ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045772 1216920660 /nfs/dbraw/zinc/92/06/60/1216920660.db2.gz TXWBEHSPXVWITJ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223429972 1225706305 /nfs/dbraw/zinc/70/63/05/1225706305.db2.gz FJXWRSTZZQJAHN-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223429972 1225706310 /nfs/dbraw/zinc/70/63/10/1225706310.db2.gz FJXWRSTZZQJAHN-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223722312 1225730368 /nfs/dbraw/zinc/73/03/68/1225730368.db2.gz PCZPJSOIVKCRAB-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223722312 1225730371 /nfs/dbraw/zinc/73/03/71/1225730371.db2.gz PCZPJSOIVKCRAB-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402046 1217313028 /nfs/dbraw/zinc/31/30/28/1217313028.db2.gz FPRJKVRDVLVULM-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402046 1217313033 /nfs/dbraw/zinc/31/30/33/1217313033.db2.gz FPRJKVRDVLVULM-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402046 1217313039 /nfs/dbraw/zinc/31/30/39/1217313039.db2.gz FPRJKVRDVLVULM-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)O1 ZINC001041402046 1217313043 /nfs/dbraw/zinc/31/30/43/1217313043.db2.gz FPRJKVRDVLVULM-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP COC(=O)c1ccnc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1 ZINC001276922611 1225737879 /nfs/dbraw/zinc/73/78/79/1225737879.db2.gz JFHIXTPVWNQFQA-IAGOWNOFSA-N 2 1 360.458 0.995 20 0 FCADMP COC(=O)c1ccnc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1 ZINC001276922611 1225737882 /nfs/dbraw/zinc/73/78/82/1225737882.db2.gz JFHIXTPVWNQFQA-IAGOWNOFSA-N 2 1 360.458 0.995 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912419 1225745303 /nfs/dbraw/zinc/74/53/03/1225745303.db2.gz SZHPWZZNXFYDBF-SJORKVTESA-N 2 1 362.518 0.872 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130563 1225759448 /nfs/dbraw/zinc/75/94/48/1225759448.db2.gz QKUNSINIMWILOK-MSOLQXFVSA-N 2 1 366.506 0.158 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1=O ZINC001095962777 1217780955 /nfs/dbraw/zinc/78/09/55/1217780955.db2.gz FJQNLBYFACBFOH-SQNIBIBYSA-N 2 1 358.486 0.949 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001095964961 1217789221 /nfs/dbraw/zinc/78/92/21/1217789221.db2.gz IOWIPMNINMVDDD-PMPSAXMXSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC001045673125 1217947271 /nfs/dbraw/zinc/94/72/71/1217947271.db2.gz ZKSHOTQTOHVAHU-OWCLPIDISA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCCO)CC3)O1 ZINC001045673459 1217947420 /nfs/dbraw/zinc/94/74/20/1217947420.db2.gz SCBMCXHOQHMXLP-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCCO)CC3)O1 ZINC001045673459 1217947426 /nfs/dbraw/zinc/94/74/26/1217947426.db2.gz SCBMCXHOQHMXLP-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001045852687 1217968474 /nfs/dbraw/zinc/96/84/74/1217968474.db2.gz PPLLTBLFBHIHFU-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001045852687 1217968477 /nfs/dbraw/zinc/96/84/77/1217968477.db2.gz PPLLTBLFBHIHFU-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001045852687 1217968480 /nfs/dbraw/zinc/96/84/80/1217968480.db2.gz PPLLTBLFBHIHFU-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001045852687 1217968483 /nfs/dbraw/zinc/96/84/83/1217968483.db2.gz PPLLTBLFBHIHFU-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900804849 1218039062 /nfs/dbraw/zinc/03/90/62/1218039062.db2.gz NRFRMPXJXLYPJJ-QUCCMNQESA-N 2 1 373.545 0.949 20 0 FCADMP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900804851 1218039549 /nfs/dbraw/zinc/03/95/49/1218039549.db2.gz NRFRMPXJXLYPJJ-UYAOXDASSA-N 2 1 373.545 0.949 20 0 FCADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000900899994 1218050644 /nfs/dbraw/zinc/05/06/44/1218050644.db2.gz UWHVGURJJGPRAD-NRFANRHFSA-N 2 1 373.497 0.850 20 0 FCADMP COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048825257 1218321708 /nfs/dbraw/zinc/32/17/08/1218321708.db2.gz NMWTVCLJLBKKTM-HCXYKTFWSA-N 2 1 365.518 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048829094 1218322453 /nfs/dbraw/zinc/32/24/53/1218322453.db2.gz HBLFHXCOVAZXTP-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048829094 1218322459 /nfs/dbraw/zinc/32/24/59/1218322459.db2.gz HBLFHXCOVAZXTP-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCN4CCCC4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048829094 1218322469 /nfs/dbraw/zinc/32/24/69/1218322469.db2.gz HBLFHXCOVAZXTP-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890452 1218335656 /nfs/dbraw/zinc/33/56/56/1218335656.db2.gz ICIYHYSERJXEMQ-RIUYPTKQSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890452 1218335663 /nfs/dbraw/zinc/33/56/63/1218335663.db2.gz ICIYHYSERJXEMQ-RIUYPTKQSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@@H](c1cnccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890452 1218335671 /nfs/dbraw/zinc/33/56/71/1218335671.db2.gz ICIYHYSERJXEMQ-RIUYPTKQSA-N 2 1 359.474 0.647 20 0 FCADMP C[C@@H](c1cnccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890452 1218335677 /nfs/dbraw/zinc/33/56/77/1218335677.db2.gz ICIYHYSERJXEMQ-RIUYPTKQSA-N 2 1 359.474 0.647 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001225525285 1225814893 /nfs/dbraw/zinc/81/48/93/1225814893.db2.gz OSRGZUVTPUJQJP-BRWVUGGUSA-N 2 1 366.506 0.345 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001225525285 1225814896 /nfs/dbraw/zinc/81/48/96/1225814896.db2.gz OSRGZUVTPUJQJP-BRWVUGGUSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001049349530 1218424370 /nfs/dbraw/zinc/42/43/70/1218424370.db2.gz TVSXCTFLDFQKDA-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CN(Cc1cnn(C)c1)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508826 1218430799 /nfs/dbraw/zinc/43/07/99/1218430799.db2.gz WKSOJFIUCCMNTM-HDICACEKSA-N 2 1 360.506 0.279 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509173 1218430874 /nfs/dbraw/zinc/43/08/74/1218430874.db2.gz CTWQJZWZTAONET-BHYGNILZSA-N 2 1 365.522 0.757 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509563 1218431807 /nfs/dbraw/zinc/43/18/07/1218431807.db2.gz JEAZPNHRPUTBOD-BMFZPTHFSA-N 2 1 365.522 0.900 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)NC1CCCCC1 ZINC000903737696 1218511342 /nfs/dbraw/zinc/51/13/42/1218511342.db2.gz VAAMMADGAAHZKX-QUCCMNQESA-N 2 1 364.534 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757137 1218517285 /nfs/dbraw/zinc/51/72/85/1218517285.db2.gz YIZCXVRKFSQMJG-IIDMSEBBSA-N 2 1 357.462 0.403 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745876 1218545749 /nfs/dbraw/zinc/54/57/49/1218545749.db2.gz HRKWTWNGEKEOPR-YDZRNGNQSA-N 2 1 370.497 0.882 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745876 1218545753 /nfs/dbraw/zinc/54/57/53/1218545753.db2.gz HRKWTWNGEKEOPR-YDZRNGNQSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745876 1218545761 /nfs/dbraw/zinc/54/57/61/1218545761.db2.gz HRKWTWNGEKEOPR-YDZRNGNQSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745876 1218545772 /nfs/dbraw/zinc/54/57/72/1218545772.db2.gz HRKWTWNGEKEOPR-YDZRNGNQSA-N 2 1 370.497 0.882 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457769 1218897880 /nfs/dbraw/zinc/89/78/80/1218897880.db2.gz NYKZTQQCZBNFLJ-YJNKXOJESA-N 2 1 365.478 0.167 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457769 1218897881 /nfs/dbraw/zinc/89/78/81/1218897881.db2.gz NYKZTQQCZBNFLJ-YJNKXOJESA-N 2 1 365.478 0.167 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226799917 1225854692 /nfs/dbraw/zinc/85/46/92/1225854692.db2.gz GOHRZFMLQDPSHQ-BFYDXBDKSA-N 2 1 363.510 0.940 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226890804 1225856898 /nfs/dbraw/zinc/85/68/98/1225856898.db2.gz OSXALJDPHVGYAJ-RBSFLKMASA-N 2 1 367.494 0.333 20 0 FCADMP C[C@@H](CN1CCN(C)CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001226904194 1225857835 /nfs/dbraw/zinc/85/78/35/1225857835.db2.gz OICVXLBUGSWAAF-RCCFBDPRSA-N 2 1 368.570 0.003 20 0 FCADMP CC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055511444 1219063658 /nfs/dbraw/zinc/06/36/58/1219063658.db2.gz JAADWSCGOKVWEL-NVXWUHKLSA-N 2 1 366.506 0.369 20 0 FCADMP CC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055511444 1219063659 /nfs/dbraw/zinc/06/36/59/1219063659.db2.gz JAADWSCGOKVWEL-NVXWUHKLSA-N 2 1 366.506 0.369 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055545235 1219074787 /nfs/dbraw/zinc/07/47/87/1219074787.db2.gz FQMVCWZKUTZWGI-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055545235 1219074792 /nfs/dbraw/zinc/07/47/92/1219074792.db2.gz FQMVCWZKUTZWGI-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccn1 ZINC001277179859 1225863366 /nfs/dbraw/zinc/86/33/66/1225863366.db2.gz SPBZVJGQJGBTCD-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1cc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccn1 ZINC001277179859 1225863367 /nfs/dbraw/zinc/86/33/67/1225863367.db2.gz SPBZVJGQJGBTCD-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP CC[C@@H](OC)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583611 1219088669 /nfs/dbraw/zinc/08/86/69/1219088669.db2.gz VBYGKLHCJQNRKH-DJIMGWMZSA-N 2 1 368.522 0.448 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055606566 1219097639 /nfs/dbraw/zinc/09/76/39/1219097639.db2.gz IEAWPSQCSOAFCE-KXBFYZLASA-N 2 1 366.506 0.062 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000804058933 1219111629 /nfs/dbraw/zinc/11/16/29/1219111629.db2.gz GYWYMNXUQWIJDH-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804059676 1219113756 /nfs/dbraw/zinc/11/37/56/1219113756.db2.gz JRSASMHRRDQKBL-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804059678 1219113834 /nfs/dbraw/zinc/11/38/34/1219113834.db2.gz JRSASMHRRDQKBL-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804059712 1219115217 /nfs/dbraw/zinc/11/52/17/1219115217.db2.gz JYZBCFNQMOUFFB-GVDBMIGSSA-N 2 1 364.490 0.053 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1 ZINC001070096369 1219168307 /nfs/dbraw/zinc/16/83/07/1219168307.db2.gz VSYQKLQQKBCHRT-BNICSPFPSA-N 2 1 357.462 0.871 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1 ZINC001070096369 1219168313 /nfs/dbraw/zinc/16/83/13/1219168313.db2.gz VSYQKLQQKBCHRT-BNICSPFPSA-N 2 1 357.462 0.871 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCC[NH+](C)C)CCOCC2)CC[N@H+]1C ZINC001070133864 1219209556 /nfs/dbraw/zinc/20/95/56/1219209556.db2.gz RWXCQRLDYZSCDM-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158390 1219244854 /nfs/dbraw/zinc/24/48/54/1219244854.db2.gz IMCYFDSRHYLRQX-PMPSAXMXSA-N 2 1 359.434 0.210 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158390 1219244858 /nfs/dbraw/zinc/24/48/58/1219244858.db2.gz IMCYFDSRHYLRQX-PMPSAXMXSA-N 2 1 359.434 0.210 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070196495 1219287084 /nfs/dbraw/zinc/28/70/84/1219287084.db2.gz AQSCTSPIPKWGID-ZNMIVQPWSA-N 2 1 361.450 0.022 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196528 1219287960 /nfs/dbraw/zinc/28/79/60/1219287960.db2.gz CJNFLFXJHNWUTO-DDBAPUKQSA-N 2 1 369.473 0.555 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209022 1219294759 /nfs/dbraw/zinc/29/47/59/1219294759.db2.gz JAVPEPPHIKJYST-ZACQAIPSSA-N 2 1 364.469 0.996 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217446 1219299405 /nfs/dbraw/zinc/29/94/05/1219299405.db2.gz FMCIMAKYGWSUCU-KURKYZTESA-N 2 1 371.489 0.863 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217784 1219300039 /nfs/dbraw/zinc/30/00/39/1219300039.db2.gz RUYBNIZUFZWLTP-KFWWJZLASA-N 2 1 361.450 0.456 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)C2 ZINC001070275253 1219342608 /nfs/dbraw/zinc/34/26/08/1219342608.db2.gz CKPALXKOWTZRED-OIISXLGYSA-N 2 1 357.462 0.796 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276638 1219343269 /nfs/dbraw/zinc/34/32/69/1219343269.db2.gz RUYBNIZUFZWLTP-ILXRZTDVSA-N 2 1 361.450 0.456 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[nH]1 ZINC001070354355 1219391132 /nfs/dbraw/zinc/39/11/32/1219391132.db2.gz FSPWQRDUANKKNO-XQLPTFJDSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001070354355 1219391138 /nfs/dbraw/zinc/39/11/38/1219391138.db2.gz FSPWQRDUANKKNO-XQLPTFJDSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001070354355 1219391144 /nfs/dbraw/zinc/39/11/44/1219391144.db2.gz FSPWQRDUANKKNO-XQLPTFJDSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n[nH]1 ZINC001070354355 1219391147 /nfs/dbraw/zinc/39/11/47/1219391147.db2.gz FSPWQRDUANKKNO-XQLPTFJDSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n[nH]1 ZINC001070354355 1219391151 /nfs/dbraw/zinc/39/11/51/1219391151.db2.gz FSPWQRDUANKKNO-XQLPTFJDSA-N 2 1 364.494 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001227954864 1225892425 /nfs/dbraw/zinc/89/24/25/1225892425.db2.gz ZGYFQXPVIXNQSS-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001227954864 1225892429 /nfs/dbraw/zinc/89/24/29/1225892429.db2.gz ZGYFQXPVIXNQSS-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001070357226 1219393840 /nfs/dbraw/zinc/39/38/40/1219393840.db2.gz BUSOWZJKHCOXHP-KBPBESRZSA-N 2 1 362.478 0.387 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001070357226 1219393843 /nfs/dbraw/zinc/39/38/43/1219393843.db2.gz BUSOWZJKHCOXHP-KBPBESRZSA-N 2 1 362.478 0.387 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CC3CC3)CC2)C1 ZINC001070382928 1219407693 /nfs/dbraw/zinc/40/76/93/1219407693.db2.gz ZPDSOORISBJRIZ-LMMKCTJWSA-N 2 1 362.518 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070499187 1219440761 /nfs/dbraw/zinc/44/07/61/1219440761.db2.gz GFWHPJPUVRSOCQ-XYJFISCASA-N 2 1 363.506 0.274 20 0 FCADMP CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)[NH+](CCO)C1 ZINC001070596684 1219481768 /nfs/dbraw/zinc/48/17/68/1219481768.db2.gz UEVXWEHEEUVONF-FXUDXRNXSA-N 2 1 365.478 0.243 20 0 FCADMP CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)n2)[N@H+](CCO)C1 ZINC001070596684 1219481772 /nfs/dbraw/zinc/48/17/72/1219481772.db2.gz UEVXWEHEEUVONF-FXUDXRNXSA-N 2 1 365.478 0.243 20 0 FCADMP CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)n2)[N@@H+](CCO)C1 ZINC001070596684 1219481774 /nfs/dbraw/zinc/48/17/74/1219481774.db2.gz UEVXWEHEEUVONF-FXUDXRNXSA-N 2 1 365.478 0.243 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2c2cncn2C)n1 ZINC001070630000 1219495171 /nfs/dbraw/zinc/49/51/71/1219495171.db2.gz YHFUTCQDTNWOSL-BRWVUGGUSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2c2cncn2C)n1 ZINC001070630000 1219495175 /nfs/dbraw/zinc/49/51/75/1219495175.db2.gz YHFUTCQDTNWOSL-BRWVUGGUSA-N 2 1 371.489 0.332 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167816 1225897901 /nfs/dbraw/zinc/89/79/01/1225897901.db2.gz QDLCSWLNZFRRQG-KURKYZTESA-N 2 1 371.522 0.776 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228167816 1225897903 /nfs/dbraw/zinc/89/79/03/1225897903.db2.gz QDLCSWLNZFRRQG-KURKYZTESA-N 2 1 371.522 0.776 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)cn1 ZINC001277277142 1225899010 /nfs/dbraw/zinc/89/90/10/1225899010.db2.gz RWOOFRNYTFWZGR-IAGOWNOFSA-N 2 1 360.458 0.995 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719270 1219541423 /nfs/dbraw/zinc/54/14/23/1219541423.db2.gz WPBUUAWAZDXXAZ-GVDBMIGSSA-N 2 1 371.489 0.190 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913192 1219565896 /nfs/dbraw/zinc/56/58/96/1219565896.db2.gz DWNOJGGKMPTCSA-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913192 1219565898 /nfs/dbraw/zinc/56/58/98/1219565898.db2.gz DWNOJGGKMPTCSA-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913192 1219565901 /nfs/dbraw/zinc/56/59/01/1219565901.db2.gz DWNOJGGKMPTCSA-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924336 1219581938 /nfs/dbraw/zinc/58/19/38/1219581938.db2.gz KYULFKFFDRLBPQ-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)O1 ZINC001070926177 1219583324 /nfs/dbraw/zinc/58/33/24/1219583324.db2.gz AJOCXOAVNUAUMG-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)O1 ZINC001070926177 1219583328 /nfs/dbraw/zinc/58/33/28/1219583328.db2.gz AJOCXOAVNUAUMG-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926311 1219583685 /nfs/dbraw/zinc/58/36/85/1219583685.db2.gz DELOXOPOTNXLLP-VQHPVUNQSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926311 1219583689 /nfs/dbraw/zinc/58/36/89/1219583689.db2.gz DELOXOPOTNXLLP-VQHPVUNQSA-N 2 1 368.522 0.399 20 0 FCADMP COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746503 1219620652 /nfs/dbraw/zinc/62/06/52/1219620652.db2.gz QPJZQMGOQTYZIU-MSOLQXFVSA-N 2 1 365.518 0.914 20 0 FCADMP Cc1nccnc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610890 1219672968 /nfs/dbraw/zinc/67/29/68/1219672968.db2.gz HDSHJZHMOSZKPG-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610890 1219672970 /nfs/dbraw/zinc/67/29/70/1219672970.db2.gz HDSHJZHMOSZKPG-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610890 1219672972 /nfs/dbraw/zinc/67/29/72/1219672972.db2.gz HDSHJZHMOSZKPG-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610890 1219672974 /nfs/dbraw/zinc/67/29/74/1219672974.db2.gz HDSHJZHMOSZKPG-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001074661824 1219711978 /nfs/dbraw/zinc/71/19/78/1219711978.db2.gz NCBFPXSSRWLBCJ-BARDWOONSA-N 2 1 363.510 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)(C)C)[C@@H]2C)CC[N@H+]1C ZINC001074661824 1219711981 /nfs/dbraw/zinc/71/19/81/1219711981.db2.gz NCBFPXSSRWLBCJ-BARDWOONSA-N 2 1 363.510 0.847 20 0 FCADMP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@H]2C)n1C ZINC001074896084 1219729802 /nfs/dbraw/zinc/72/98/02/1219729802.db2.gz ZQTQDFOXMGCPFQ-YJNKXOJESA-N 2 1 371.489 0.994 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001098407609 1219775101 /nfs/dbraw/zinc/77/51/01/1219775101.db2.gz LYJWAZBJZPEUNB-VQHPVUNQSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001098407609 1219775105 /nfs/dbraw/zinc/77/51/05/1219775105.db2.gz LYJWAZBJZPEUNB-VQHPVUNQSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001098946302 1219871589 /nfs/dbraw/zinc/87/15/89/1219871589.db2.gz MGCHQQKBFMKQKW-DOXZYTNZSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001098946302 1219871590 /nfs/dbraw/zinc/87/15/90/1219871590.db2.gz MGCHQQKBFMKQKW-DOXZYTNZSA-N 2 1 359.474 0.829 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001099026943 1219892824 /nfs/dbraw/zinc/89/28/24/1219892824.db2.gz ILHHYQWCIPKKRO-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001099026943 1219892825 /nfs/dbraw/zinc/89/28/25/1219892825.db2.gz ILHHYQWCIPKKRO-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001099026943 1219892829 /nfs/dbraw/zinc/89/28/29/1219892829.db2.gz ILHHYQWCIPKKRO-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001099080119 1219903498 /nfs/dbraw/zinc/90/34/98/1219903498.db2.gz MOJPARXOMKRAIX-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC(=O)NC(N)=O)CC[N@H+]1C ZINC001099080119 1219903502 /nfs/dbraw/zinc/90/35/02/1219903502.db2.gz MOJPARXOMKRAIX-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001099080119 1219903508 /nfs/dbraw/zinc/90/35/08/1219903508.db2.gz MOJPARXOMKRAIX-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001099080119 1219903513 /nfs/dbraw/zinc/90/35/13/1219903513.db2.gz MOJPARXOMKRAIX-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099118840 1219920542 /nfs/dbraw/zinc/92/05/42/1219920542.db2.gz DMLJAZIRIJPTOG-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099118840 1219920543 /nfs/dbraw/zinc/92/05/43/1219920543.db2.gz DMLJAZIRIJPTOG-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099118840 1219920544 /nfs/dbraw/zinc/92/05/44/1219920544.db2.gz DMLJAZIRIJPTOG-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099163350 1219937016 /nfs/dbraw/zinc/93/70/16/1219937016.db2.gz SLYGUBAJWHCSCS-FCEWJHQRSA-N 2 1 369.473 0.941 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099163350 1219937019 /nfs/dbraw/zinc/93/70/19/1219937019.db2.gz SLYGUBAJWHCSCS-FCEWJHQRSA-N 2 1 369.473 0.941 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnn(C)n3)C2)C1 ZINC001099500564 1220016421 /nfs/dbraw/zinc/01/64/21/1220016421.db2.gz WAAHVEOYNGDRTE-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001099527370 1220024084 /nfs/dbraw/zinc/02/40/84/1220024084.db2.gz WHVHUUYZOHAMSQ-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099535034 1220026095 /nfs/dbraw/zinc/02/60/95/1220026095.db2.gz IMJPRZAROWWBKR-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP CC[C@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000755745904 1220147599 /nfs/dbraw/zinc/14/75/99/1220147599.db2.gz OSLGMMPBCCGDFU-GOSISDBHSA-N 2 1 362.478 0.808 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171483 1220207970 /nfs/dbraw/zinc/20/79/70/1220207970.db2.gz CAJVLQOYFUVVBN-MDZRGWNJSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171489 1220207984 /nfs/dbraw/zinc/20/79/84/1220207984.db2.gz CFQLBONHXVMSLY-MDZRGWNJSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243690 1220242197 /nfs/dbraw/zinc/24/21/97/1220242197.db2.gz YZTWTPXMUUSKSH-OYRIPWCXSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243690 1220242203 /nfs/dbraw/zinc/24/22/03/1220242203.db2.gz YZTWTPXMUUSKSH-OYRIPWCXSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243690 1220242208 /nfs/dbraw/zinc/24/22/08/1220242208.db2.gz YZTWTPXMUUSKSH-OYRIPWCXSA-N 2 1 362.518 0.633 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243481 1220242751 /nfs/dbraw/zinc/24/27/51/1220242751.db2.gz HAGYNYBAXVCDNG-VIPLHTEESA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243481 1220242754 /nfs/dbraw/zinc/24/27/54/1220242754.db2.gz HAGYNYBAXVCDNG-VIPLHTEESA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243481 1220242757 /nfs/dbraw/zinc/24/27/57/1220242757.db2.gz HAGYNYBAXVCDNG-VIPLHTEESA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290393 1220270453 /nfs/dbraw/zinc/27/04/53/1220270453.db2.gz NYNQIRYONPCMBS-APWZRJJASA-N 2 1 362.518 0.920 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300187 1220277032 /nfs/dbraw/zinc/27/70/32/1220277032.db2.gz MPQFCZLMEPZMDU-FCEWJHQRSA-N 2 1 361.490 0.887 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300187 1220277036 /nfs/dbraw/zinc/27/70/36/1220277036.db2.gz MPQFCZLMEPZMDU-FCEWJHQRSA-N 2 1 361.490 0.887 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CCCC1 ZINC001101314226 1220282458 /nfs/dbraw/zinc/28/24/58/1220282458.db2.gz WLXXBJILSBAYCI-MDZRGWNJSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101365759 1220304331 /nfs/dbraw/zinc/30/43/31/1220304331.db2.gz IHFMDVWVUHUVPD-GJYPPUQNSA-N 2 1 367.538 0.815 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393829 1220320029 /nfs/dbraw/zinc/32/00/29/1220320029.db2.gz HQYKOZOUTUDUEA-LMMKCTJWSA-N 2 1 364.490 0.759 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393829 1220320032 /nfs/dbraw/zinc/32/00/32/1220320032.db2.gz HQYKOZOUTUDUEA-LMMKCTJWSA-N 2 1 364.490 0.759 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418578 1220332825 /nfs/dbraw/zinc/33/28/25/1220332825.db2.gz YWDXDRSGAKQTCO-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418578 1220332828 /nfs/dbraw/zinc/33/28/28/1220332828.db2.gz YWDXDRSGAKQTCO-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418578 1220332832 /nfs/dbraw/zinc/33/28/32/1220332832.db2.gz YWDXDRSGAKQTCO-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431407 1220340867 /nfs/dbraw/zinc/34/08/67/1220340867.db2.gz NDXSIGBHAKHTAY-APWZRJJASA-N 2 1 362.518 0.779 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432330 1220341160 /nfs/dbraw/zinc/34/11/60/1220341160.db2.gz MJBOGPITQLGWAC-APWZRJJASA-N 2 1 363.506 0.321 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440505 1220346974 /nfs/dbraw/zinc/34/69/74/1220346974.db2.gz OLNGVRWBASJZCO-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440505 1220346979 /nfs/dbraw/zinc/34/69/79/1220346979.db2.gz OLNGVRWBASJZCO-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440505 1220346984 /nfs/dbraw/zinc/34/69/84/1220346984.db2.gz OLNGVRWBASJZCO-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443495 1220347825 /nfs/dbraw/zinc/34/78/25/1220347825.db2.gz HSPHNODFJKIICU-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443495 1220347831 /nfs/dbraw/zinc/34/78/31/1220347831.db2.gz HSPHNODFJKIICU-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443495 1220347838 /nfs/dbraw/zinc/34/78/38/1220347838.db2.gz HSPHNODFJKIICU-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001101473334 1220365387 /nfs/dbraw/zinc/36/53/87/1220365387.db2.gz QMKZSMMMZGVDSP-XLIONFOSSA-N 2 1 362.518 0.875 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476121 1220366913 /nfs/dbraw/zinc/36/69/13/1220366913.db2.gz CTBRDUUNEZJJGK-LMMKCTJWSA-N 2 1 363.506 0.365 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476121 1220366916 /nfs/dbraw/zinc/36/69/16/1220366916.db2.gz CTBRDUUNEZJJGK-LMMKCTJWSA-N 2 1 363.506 0.365 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476121 1220366919 /nfs/dbraw/zinc/36/69/19/1220366919.db2.gz CTBRDUUNEZJJGK-LMMKCTJWSA-N 2 1 363.506 0.365 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477465 1220367744 /nfs/dbraw/zinc/36/77/44/1220367744.db2.gz WEEJVRCDSKPTQC-APWZRJJASA-N 2 1 368.522 0.260 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477465 1220367748 /nfs/dbraw/zinc/36/77/48/1220367748.db2.gz WEEJVRCDSKPTQC-APWZRJJASA-N 2 1 368.522 0.260 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477465 1220367753 /nfs/dbraw/zinc/36/77/53/1220367753.db2.gz WEEJVRCDSKPTQC-APWZRJJASA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102016015 1220463668 /nfs/dbraw/zinc/46/36/68/1220463668.db2.gz YJEARYABSHFVFP-OIISXLGYSA-N 2 1 370.513 0.877 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071563 1220485873 /nfs/dbraw/zinc/48/58/73/1220485873.db2.gz OTFVKMCERCJEJS-NXHRZFHOSA-N 2 1 370.538 0.409 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091029 1220492927 /nfs/dbraw/zinc/49/29/27/1220492927.db2.gz OLFSDAAHFCORGB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091029 1220492929 /nfs/dbraw/zinc/49/29/29/1220492929.db2.gz OLFSDAAHFCORGB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091029 1220492936 /nfs/dbraw/zinc/49/29/36/1220492936.db2.gz OLFSDAAHFCORGB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101097 1220496271 /nfs/dbraw/zinc/49/62/71/1220496271.db2.gz MSNALELEEDFEOF-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101097 1220496273 /nfs/dbraw/zinc/49/62/73/1220496273.db2.gz MSNALELEEDFEOF-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101097 1220496281 /nfs/dbraw/zinc/49/62/81/1220496281.db2.gz MSNALELEEDFEOF-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102155877 1220527884 /nfs/dbraw/zinc/52/78/84/1220527884.db2.gz DZWXZKYMVQFCOW-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102155877 1220527893 /nfs/dbraw/zinc/52/78/93/1220527893.db2.gz DZWXZKYMVQFCOW-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286867 1220574493 /nfs/dbraw/zinc/57/44/93/1220574493.db2.gz AOLOCDIJIBUZBU-NVXWUHKLSA-N 2 1 360.502 0.911 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001277353753 1225977929 /nfs/dbraw/zinc/97/79/29/1225977929.db2.gz QWZAJYHFZNZELF-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001277353753 1225977931 /nfs/dbraw/zinc/97/79/31/1225977931.db2.gz QWZAJYHFZNZELF-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330143 1220583899 /nfs/dbraw/zinc/58/38/99/1220583899.db2.gz FCWQVNMWLVDGIL-IIAWOOMASA-N 2 1 369.510 0.102 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320923 1220584280 /nfs/dbraw/zinc/58/42/80/1220584280.db2.gz ZJYNAZDNYGXEFT-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330079 1220585175 /nfs/dbraw/zinc/58/51/75/1220585175.db2.gz ASFSUHWTYWZRPD-JFIYKMOQSA-N 2 1 370.538 0.409 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001102356507 1220590132 /nfs/dbraw/zinc/59/01/32/1220590132.db2.gz MVNDUPFDDHWZAK-KFWWJZLASA-N 2 1 366.510 0.413 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370360 1220596311 /nfs/dbraw/zinc/59/63/11/1220596311.db2.gz YBXVEPVLFOYHRO-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370360 1220596317 /nfs/dbraw/zinc/59/63/17/1220596317.db2.gz YBXVEPVLFOYHRO-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370360 1220596323 /nfs/dbraw/zinc/59/63/23/1220596323.db2.gz YBXVEPVLFOYHRO-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369660 1220597285 /nfs/dbraw/zinc/59/72/85/1220597285.db2.gz BWSAJFPAPOCIMJ-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369660 1220597289 /nfs/dbraw/zinc/59/72/89/1220597289.db2.gz BWSAJFPAPOCIMJ-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369660 1220597295 /nfs/dbraw/zinc/59/72/95/1220597295.db2.gz BWSAJFPAPOCIMJ-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466163 1220637261 /nfs/dbraw/zinc/63/72/61/1220637261.db2.gz IECLMGIXSAEGSR-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466163 1220637264 /nfs/dbraw/zinc/63/72/64/1220637264.db2.gz IECLMGIXSAEGSR-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102466238 1220637409 /nfs/dbraw/zinc/63/74/09/1220637409.db2.gz JVOJXFHTKDQLFV-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102466238 1220637414 /nfs/dbraw/zinc/63/74/14/1220637414.db2.gz JVOJXFHTKDQLFV-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468887 1220639684 /nfs/dbraw/zinc/63/96/84/1220639684.db2.gz DZIMVSXBPNOVQD-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468887 1220639686 /nfs/dbraw/zinc/63/96/86/1220639686.db2.gz DZIMVSXBPNOVQD-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102475156 1220644630 /nfs/dbraw/zinc/64/46/30/1220644630.db2.gz ADJLVQQAGYBCKQ-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1)C(N)=O ZINC001229134502 1225982350 /nfs/dbraw/zinc/98/23/50/1225982350.db2.gz APZCKPCVSSJVGH-GVDBMIGSSA-N 2 1 368.522 0.770 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102495749 1220656648 /nfs/dbraw/zinc/65/66/48/1220656648.db2.gz LGIWYYPDPJNMKF-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102495749 1220656652 /nfs/dbraw/zinc/65/66/52/1220656652.db2.gz LGIWYYPDPJNMKF-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102495749 1220656656 /nfs/dbraw/zinc/65/66/56/1220656656.db2.gz LGIWYYPDPJNMKF-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102495749 1220656659 /nfs/dbraw/zinc/65/66/59/1220656659.db2.gz LGIWYYPDPJNMKF-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520527 1220678920 /nfs/dbraw/zinc/67/89/20/1220678920.db2.gz OEUFEQGUHSNFIO-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524611 1220680535 /nfs/dbraw/zinc/68/05/35/1220680535.db2.gz NUPXOFJMPXFSPV-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524611 1220680538 /nfs/dbraw/zinc/68/05/38/1220680538.db2.gz NUPXOFJMPXFSPV-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524611 1220680540 /nfs/dbraw/zinc/68/05/40/1220680540.db2.gz NUPXOFJMPXFSPV-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578037 1220700904 /nfs/dbraw/zinc/70/09/04/1220700904.db2.gz ILBJHHLNJFNHGB-BZUAXINKSA-N 2 1 362.474 0.532 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578037 1220700907 /nfs/dbraw/zinc/70/09/07/1220700907.db2.gz ILBJHHLNJFNHGB-BZUAXINKSA-N 2 1 362.474 0.532 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578037 1220700911 /nfs/dbraw/zinc/70/09/11/1220700911.db2.gz ILBJHHLNJFNHGB-BZUAXINKSA-N 2 1 362.474 0.532 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102579351 1220701925 /nfs/dbraw/zinc/70/19/25/1220701925.db2.gz TYFPJYTVDWDHPG-NXHRZFHOSA-N 2 1 366.506 0.909 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102579351 1220701929 /nfs/dbraw/zinc/70/19/29/1220701929.db2.gz TYFPJYTVDWDHPG-NXHRZFHOSA-N 2 1 366.506 0.909 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588594 1220711897 /nfs/dbraw/zinc/71/18/97/1220711897.db2.gz FYQNRPHLJYTDBG-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588594 1220711899 /nfs/dbraw/zinc/71/18/99/1220711899.db2.gz FYQNRPHLJYTDBG-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588594 1220711901 /nfs/dbraw/zinc/71/19/01/1220711901.db2.gz FYQNRPHLJYTDBG-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588594 1220711904 /nfs/dbraw/zinc/71/19/04/1220711904.db2.gz FYQNRPHLJYTDBG-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588881 1220711950 /nfs/dbraw/zinc/71/19/50/1220711950.db2.gz OXMKNKAXTDIEGC-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588881 1220711958 /nfs/dbraw/zinc/71/19/58/1220711958.db2.gz OXMKNKAXTDIEGC-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588881 1220711963 /nfs/dbraw/zinc/71/19/63/1220711963.db2.gz OXMKNKAXTDIEGC-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588881 1220711972 /nfs/dbraw/zinc/71/19/72/1220711972.db2.gz OXMKNKAXTDIEGC-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102600995 1220723105 /nfs/dbraw/zinc/72/31/05/1220723105.db2.gz GHDGUPLFWGDXFV-IXDOHACOSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102600995 1220723111 /nfs/dbraw/zinc/72/31/11/1220723111.db2.gz GHDGUPLFWGDXFV-IXDOHACOSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102600995 1220723118 /nfs/dbraw/zinc/72/31/18/1220723118.db2.gz GHDGUPLFWGDXFV-IXDOHACOSA-N 2 1 368.522 0.163 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818872 1220791643 /nfs/dbraw/zinc/79/16/43/1220791643.db2.gz KPKJORSTLMRGNH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818872 1220791650 /nfs/dbraw/zinc/79/16/50/1220791650.db2.gz KPKJORSTLMRGNH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818872 1220791656 /nfs/dbraw/zinc/79/16/56/1220791656.db2.gz KPKJORSTLMRGNH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818872 1220791661 /nfs/dbraw/zinc/79/16/61/1220791661.db2.gz KPKJORSTLMRGNH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993948 1220817635 /nfs/dbraw/zinc/81/76/35/1220817635.db2.gz MBTMTZXJKJJMBW-BMFZPTHFSA-N 2 1 361.494 0.126 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993948 1220817636 /nfs/dbraw/zinc/81/76/36/1220817636.db2.gz MBTMTZXJKJJMBW-BMFZPTHFSA-N 2 1 361.494 0.126 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083758 1220830162 /nfs/dbraw/zinc/83/01/62/1220830162.db2.gz IFQSIDAMNAUXLR-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083758 1220830163 /nfs/dbraw/zinc/83/01/63/1220830163.db2.gz IFQSIDAMNAUXLR-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103087419 1220830983 /nfs/dbraw/zinc/83/09/83/1220830983.db2.gz GZOSNBJWCZXDSM-OIISXLGYSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103367 1220833952 /nfs/dbraw/zinc/83/39/52/1220833952.db2.gz FXZRJLNPIOTGNM-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103367 1220833954 /nfs/dbraw/zinc/83/39/54/1220833954.db2.gz FXZRJLNPIOTGNM-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103367 1220833955 /nfs/dbraw/zinc/83/39/55/1220833955.db2.gz FXZRJLNPIOTGNM-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103367 1220833958 /nfs/dbraw/zinc/83/39/58/1220833958.db2.gz FXZRJLNPIOTGNM-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001103141427 1220839806 /nfs/dbraw/zinc/83/98/06/1220839806.db2.gz FIAZXTNYTFSFJY-ZACQAIPSSA-N 2 1 362.518 0.825 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103156632 1220841720 /nfs/dbraw/zinc/84/17/20/1220841720.db2.gz OQENJCLAIJQYOS-ZIAGYGMSSA-N 2 1 366.510 0.413 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103156632 1220841723 /nfs/dbraw/zinc/84/17/23/1220841723.db2.gz OQENJCLAIJQYOS-ZIAGYGMSSA-N 2 1 366.510 0.413 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103156632 1220841724 /nfs/dbraw/zinc/84/17/24/1220841724.db2.gz OQENJCLAIJQYOS-ZIAGYGMSSA-N 2 1 366.510 0.413 20 0 FCADMP CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249419 1220856515 /nfs/dbraw/zinc/85/65/15/1220856515.db2.gz HFVIXBVOWJCMKZ-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001103249419 1220856517 /nfs/dbraw/zinc/85/65/17/1220856517.db2.gz HFVIXBVOWJCMKZ-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001103249419 1220856520 /nfs/dbraw/zinc/85/65/20/1220856520.db2.gz HFVIXBVOWJCMKZ-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378970 1220873481 /nfs/dbraw/zinc/87/34/81/1220873481.db2.gz SHVWEMNVKFDSRD-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378970 1220873486 /nfs/dbraw/zinc/87/34/86/1220873486.db2.gz SHVWEMNVKFDSRD-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434010 1220882318 /nfs/dbraw/zinc/88/23/18/1220882318.db2.gz QWPXLIMMYCHSES-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434010 1220882319 /nfs/dbraw/zinc/88/23/19/1220882319.db2.gz QWPXLIMMYCHSES-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434010 1220882320 /nfs/dbraw/zinc/88/23/20/1220882320.db2.gz QWPXLIMMYCHSES-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537006 1220897362 /nfs/dbraw/zinc/89/73/62/1220897362.db2.gz NAJUUDVMPSBBET-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537006 1220897366 /nfs/dbraw/zinc/89/73/66/1220897366.db2.gz NAJUUDVMPSBBET-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103630522 1220920722 /nfs/dbraw/zinc/92/07/22/1220920722.db2.gz UUKRZWQOPSJCEP-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103662568 1220932877 /nfs/dbraw/zinc/93/28/77/1220932877.db2.gz BUTMGMVNRZGXBX-IAGOWNOFSA-N 2 1 367.538 0.818 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103662568 1220932881 /nfs/dbraw/zinc/93/28/81/1220932881.db2.gz BUTMGMVNRZGXBX-IAGOWNOFSA-N 2 1 367.538 0.818 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103662568 1220932885 /nfs/dbraw/zinc/93/28/85/1220932885.db2.gz BUTMGMVNRZGXBX-IAGOWNOFSA-N 2 1 367.538 0.818 20 0 FCADMP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719266 1220952056 /nfs/dbraw/zinc/95/20/56/1220952056.db2.gz WZWCYLCSBAZRMK-OAGGEKHMSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719266 1220952065 /nfs/dbraw/zinc/95/20/65/1220952065.db2.gz WZWCYLCSBAZRMK-OAGGEKHMSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719266 1220952077 /nfs/dbraw/zinc/95/20/77/1220952077.db2.gz WZWCYLCSBAZRMK-OAGGEKHMSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719266 1220952083 /nfs/dbraw/zinc/95/20/83/1220952083.db2.gz WZWCYLCSBAZRMK-OAGGEKHMSA-N 2 1 363.510 0.780 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723711 1220952582 /nfs/dbraw/zinc/95/25/82/1220952582.db2.gz YQVMKAIVODSWKG-BRWVUGGUSA-N 2 1 360.506 0.935 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723712 1220953117 /nfs/dbraw/zinc/95/31/17/1220953117.db2.gz YQVMKAIVODSWKG-ZACQAIPSSA-N 2 1 360.506 0.935 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001103723383 1220953170 /nfs/dbraw/zinc/95/31/70/1220953170.db2.gz HSWWJWVNKRTDMV-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001103723383 1220953173 /nfs/dbraw/zinc/95/31/73/1220953173.db2.gz HSWWJWVNKRTDMV-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724632 1220954321 /nfs/dbraw/zinc/95/43/21/1220954321.db2.gz MZXGEBREFIGPRX-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001103999644 1220996374 /nfs/dbraw/zinc/99/63/74/1220996374.db2.gz FXLRWNZTENFBCE-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001103999644 1220996379 /nfs/dbraw/zinc/99/63/79/1220996379.db2.gz FXLRWNZTENFBCE-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001104211228 1221022125 /nfs/dbraw/zinc/02/21/25/1221022125.db2.gz YRVVXHFOZAYSKM-KBUPBQIOSA-N 2 1 364.494 0.023 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001229523298 1226016157 /nfs/dbraw/zinc/01/61/57/1226016157.db2.gz FOUXUHLDZIVNSF-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916573 1221167045 /nfs/dbraw/zinc/16/70/45/1221167045.db2.gz AXBORISANDMHOT-FCEWJHQRSA-N 2 1 369.506 0.075 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939906 1221179657 /nfs/dbraw/zinc/17/96/57/1221179657.db2.gz ZLYAZSGSMZYHDV-GJYPPUQNSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN([C@H](C)c1nnnn1C)C2 ZINC001111950832 1221182557 /nfs/dbraw/zinc/18/25/57/1221182557.db2.gz CRXWPNBHSUETKK-VKJFTORMSA-N 2 1 363.510 0.974 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009832 1221199874 /nfs/dbraw/zinc/19/98/74/1221199874.db2.gz WCRWPFKUDPMABJ-DEYYWGMASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009832 1221199878 /nfs/dbraw/zinc/19/98/78/1221199878.db2.gz WCRWPFKUDPMABJ-DEYYWGMASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009832 1221199880 /nfs/dbraw/zinc/19/98/80/1221199880.db2.gz WCRWPFKUDPMABJ-DEYYWGMASA-N 2 1 367.494 0.141 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001112021245 1221203256 /nfs/dbraw/zinc/20/32/56/1221203256.db2.gz BMCSTWRZJXCOEG-FCEWJHQRSA-N 2 1 359.474 0.913 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291268 1221232893 /nfs/dbraw/zinc/23/28/93/1221232893.db2.gz DHQIOCAGUXMESE-LNLFQRSKSA-N 2 1 369.506 0.198 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291268 1221232895 /nfs/dbraw/zinc/23/28/95/1221232895.db2.gz DHQIOCAGUXMESE-LNLFQRSKSA-N 2 1 369.506 0.198 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112428073 1221257741 /nfs/dbraw/zinc/25/77/41/1221257741.db2.gz AIISVMGHTCYUOY-QKLQHJQFSA-N 2 1 362.518 0.921 20 0 FCADMP O=C1N[C@H]2CC[NH+](C/C=C/C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179336 1221304423 /nfs/dbraw/zinc/30/44/23/1221304423.db2.gz IMCFPHCXMLWFJP-ACUIUQEKSA-N 2 1 364.446 0.403 20 0 FCADMP CC(C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799181051 1221304881 /nfs/dbraw/zinc/30/48/81/1221304881.db2.gz VRKHGIMLLUEVCY-WCVJEAGWSA-N 2 1 366.462 0.483 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001117649477 1221600826 /nfs/dbraw/zinc/60/08/26/1221600826.db2.gz XKTWNDBAXFCLIQ-CQSZACIVSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001230138676 1226056428 /nfs/dbraw/zinc/05/64/28/1226056428.db2.gz QEVDVUDNJYBGGW-RBSFLKMASA-N 2 1 363.462 0.890 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1F ZINC001118057118 1221701538 /nfs/dbraw/zinc/70/15/38/1221701538.db2.gz AKBQCIZCYOCLEW-QILLFSRXSA-N 2 1 374.460 0.776 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118137404 1221717587 /nfs/dbraw/zinc/71/75/87/1221717587.db2.gz CFDHBWDIMMGHKG-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118137404 1221717590 /nfs/dbraw/zinc/71/75/90/1221717590.db2.gz CFDHBWDIMMGHKG-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001230284570 1226071345 /nfs/dbraw/zinc/07/13/45/1226071345.db2.gz LJJLRYKNGPHUOI-BRWVUGGUSA-N 2 1 368.522 0.639 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[nH+]c1 ZINC001118330543 1221761519 /nfs/dbraw/zinc/76/15/19/1221761519.db2.gz RKGQMXVBUVBYJH-KXBFYZLASA-N 2 1 359.474 0.896 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001119362802 1221906548 /nfs/dbraw/zinc/90/65/48/1221906548.db2.gz PKVVELYAZUHAPL-JFIYKMOQSA-N 2 1 360.502 0.985 20 0 FCADMP [NH3+]CCC1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119425372 1221916137 /nfs/dbraw/zinc/91/61/37/1221916137.db2.gz UOOORBUPBILARG-SFHVURJKSA-N 2 1 367.538 0.553 20 0 FCADMP C([NH+]1CC[C@@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913799 1221998871 /nfs/dbraw/zinc/99/88/71/1221998871.db2.gz UHGZCKZVYTWZHN-HZPDHXFCSA-N 2 1 368.474 0.393 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001120643230 1222110911 /nfs/dbraw/zinc/11/09/11/1222110911.db2.gz YRUYGQPDGAGGGY-GVDBMIGSSA-N 2 1 366.506 0.386 20 0 FCADMP COc1nn(C)cc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120668744 1222112761 /nfs/dbraw/zinc/11/27/61/1222112761.db2.gz MHEHVWBVARHPCA-IYBDPMFKSA-N 2 1 362.478 0.539 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001120702532 1222115375 /nfs/dbraw/zinc/11/53/75/1222115375.db2.gz FOFVKEPXFZOGOD-INIZCTEOSA-N 2 1 364.494 0.620 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NC2CC2)C3)O1 ZINC001121288992 1222160124 /nfs/dbraw/zinc/16/01/24/1222160124.db2.gz OEBCRZKHHYBHKX-AEVDQLELSA-N 2 1 364.490 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NC2CC2)C3)O1 ZINC001121288992 1222160129 /nfs/dbraw/zinc/16/01/29/1222160129.db2.gz OEBCRZKHHYBHKX-AEVDQLELSA-N 2 1 364.490 0.001 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001121945053 1222227259 /nfs/dbraw/zinc/22/72/59/1222227259.db2.gz BICKIUPSEIJIRN-SFHVURJKSA-N 2 1 361.490 0.036 20 0 FCADMP [NH3+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C12CCC2 ZINC001122340270 1222265830 /nfs/dbraw/zinc/26/58/30/1222265830.db2.gz DCAXJSAXMFRWDL-BZUAXINKSA-N 2 1 364.490 0.086 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513294 1222336584 /nfs/dbraw/zinc/33/65/84/1222336584.db2.gz WRABSNRJTUPXMN-APWZRJJASA-N 2 1 357.502 0.761 20 0 FCADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001123696008 1222351082 /nfs/dbraw/zinc/35/10/82/1222351082.db2.gz YYZQKDCRTGEDDT-BQFCYCMXSA-N 2 1 360.506 0.936 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC001123775321 1222355766 /nfs/dbraw/zinc/35/57/66/1222355766.db2.gz UFLBWXXAJSPTBT-RSPOEFSDSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001123775321 1222355773 /nfs/dbraw/zinc/35/57/73/1222355773.db2.gz UFLBWXXAJSPTBT-RSPOEFSDSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001123775321 1222355781 /nfs/dbraw/zinc/35/57/81/1222355781.db2.gz UFLBWXXAJSPTBT-RSPOEFSDSA-N 2 1 372.513 0.374 20 0 FCADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770164 1226126310 /nfs/dbraw/zinc/12/63/10/1226126310.db2.gz PQCQXSRFKDUTEC-IBGZPJMESA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770164 1226126312 /nfs/dbraw/zinc/12/63/12/1226126312.db2.gz PQCQXSRFKDUTEC-IBGZPJMESA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770164 1226126316 /nfs/dbraw/zinc/12/63/16/1226126316.db2.gz PQCQXSRFKDUTEC-IBGZPJMESA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770164 1226126319 /nfs/dbraw/zinc/12/63/19/1226126319.db2.gz PQCQXSRFKDUTEC-IBGZPJMESA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770165 1226126568 /nfs/dbraw/zinc/12/65/68/1226126568.db2.gz PQCQXSRFKDUTEC-LJQANCHMSA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770165 1226126578 /nfs/dbraw/zinc/12/65/78/1226126578.db2.gz PQCQXSRFKDUTEC-LJQANCHMSA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770165 1226126584 /nfs/dbraw/zinc/12/65/84/1226126584.db2.gz PQCQXSRFKDUTEC-LJQANCHMSA-N 2 1 364.490 0.407 20 0 FCADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001231770165 1226126588 /nfs/dbraw/zinc/12/65/88/1226126588.db2.gz PQCQXSRFKDUTEC-LJQANCHMSA-N 2 1 364.490 0.407 20 0 FCADMP O=C1CC[C@@H](CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)N1 ZINC001202830411 1222508605 /nfs/dbraw/zinc/50/86/05/1222508605.db2.gz BSRAQPPQCVIJSL-OWSLCNJRSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)N1 ZINC001202830411 1222508609 /nfs/dbraw/zinc/50/86/09/1222508609.db2.gz BSRAQPPQCVIJSL-OWSLCNJRSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)N1 ZINC001202830411 1222508612 /nfs/dbraw/zinc/50/86/12/1222508612.db2.gz BSRAQPPQCVIJSL-OWSLCNJRSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)N1 ZINC001202830411 1222508617 /nfs/dbraw/zinc/50/86/17/1222508617.db2.gz BSRAQPPQCVIJSL-OWSLCNJRSA-N 2 1 358.490 0.732 20 0 FCADMP O=C1CC[C@@H](C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)N1 ZINC001202830411 1222508620 /nfs/dbraw/zinc/50/86/20/1222508620.db2.gz BSRAQPPQCVIJSL-OWSLCNJRSA-N 2 1 358.490 0.732 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccnc(F)c1)CC2 ZINC001139831860 1222559970 /nfs/dbraw/zinc/55/99/70/1222559970.db2.gz GQSBUPLHQZLPTA-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755937 1222587397 /nfs/dbraw/zinc/58/73/97/1222587397.db2.gz UBILMNCGGMOOOY-VVLHAWIVSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755937 1222587403 /nfs/dbraw/zinc/58/74/03/1222587403.db2.gz UBILMNCGGMOOOY-VVLHAWIVSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302255 1222677255 /nfs/dbraw/zinc/67/72/55/1222677255.db2.gz OKINPPJLVGADEY-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302255 1222677259 /nfs/dbraw/zinc/67/72/59/1222677259.db2.gz OKINPPJLVGADEY-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302255 1222677260 /nfs/dbraw/zinc/67/72/60/1222677260.db2.gz OKINPPJLVGADEY-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP Cc1nc(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)c[nH]1 ZINC001232459323 1226153181 /nfs/dbraw/zinc/15/31/81/1226153181.db2.gz CHZVJOZAPHHVDG-BHYGNILZSA-N 2 1 358.446 0.719 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@H]21 ZINC000841071562 1222806840 /nfs/dbraw/zinc/80/68/40/1222806840.db2.gz PMGSGLWTPOWRCU-WMLDXEAASA-N 2 1 360.458 0.905 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841287659 1222818108 /nfs/dbraw/zinc/81/81/08/1222818108.db2.gz HSCIIVGXHYWJEL-AWEZNQCLSA-N 2 1 363.462 0.733 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842011497 1222832490 /nfs/dbraw/zinc/83/24/90/1222832490.db2.gz PEAAMAAHRIXLOT-HKUYNNGSSA-N 2 1 362.474 0.253 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cn1 ZINC000842163495 1222838104 /nfs/dbraw/zinc/83/81/04/1222838104.db2.gz OWZVSQRADLSPJO-MRXNPFEDSA-N 2 1 370.457 0.826 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000842162327 1222838365 /nfs/dbraw/zinc/83/83/65/1222838365.db2.gz HRWUCANQKFWHCZ-CJNGLKHVSA-N 2 1 370.457 0.635 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000842189810 1222839623 /nfs/dbraw/zinc/83/96/23/1222839623.db2.gz QLTLUIVAAVPFGG-LQWHRVPQSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000842190926 1222839826 /nfs/dbraw/zinc/83/98/26/1222839826.db2.gz VAQJEUXWPINWKV-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191004 1222839862 /nfs/dbraw/zinc/83/98/62/1222839862.db2.gz VUDYNCJNFIEOIX-FXAWDEMLSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+]1CCCN(c2ccc(-c3noc(CN4CC[NH2+]CC4=O)n3)cn2)CC1 ZINC000843208398 1222860775 /nfs/dbraw/zinc/86/07/75/1222860775.db2.gz UJMKDIAOSLAYSJ-UHFFFAOYSA-N 2 1 371.445 0.205 20 0 FCADMP C[N@H+]1CCCN(c2ccc(-c3noc(CN4CC[NH2+]CC4=O)n3)cn2)CC1 ZINC000843208398 1222860777 /nfs/dbraw/zinc/86/07/77/1222860777.db2.gz UJMKDIAOSLAYSJ-UHFFFAOYSA-N 2 1 371.445 0.205 20 0 FCADMP Cc1nc(N)ccc1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277693568 1226159818 /nfs/dbraw/zinc/15/98/18/1226159818.db2.gz BFTZHYNVWPFGPS-IBGZPJMESA-N 2 1 359.474 0.875 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362569 1222873548 /nfs/dbraw/zinc/87/35/48/1222873548.db2.gz KFOSAVFICNSQRT-WMLDXEAASA-N 2 1 360.458 0.911 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362569 1222873550 /nfs/dbraw/zinc/87/35/50/1222873550.db2.gz KFOSAVFICNSQRT-WMLDXEAASA-N 2 1 360.458 0.911 20 0 FCADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385919 1222874747 /nfs/dbraw/zinc/87/47/47/1222874747.db2.gz FRICPHRAAQZNLK-KBPBESRZSA-N 2 1 363.462 0.346 20 0 FCADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385919 1222874748 /nfs/dbraw/zinc/87/47/48/1222874748.db2.gz FRICPHRAAQZNLK-KBPBESRZSA-N 2 1 363.462 0.346 20 0 FCADMP CC[N@@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153492091 1222978522 /nfs/dbraw/zinc/97/85/22/1222978522.db2.gz SPPBLQKCHMRTQX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CC[NH+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153492091 1222978533 /nfs/dbraw/zinc/97/85/33/1222978533.db2.gz SPPBLQKCHMRTQX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CC[NH+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153492091 1222978539 /nfs/dbraw/zinc/97/85/39/1222978539.db2.gz SPPBLQKCHMRTQX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCOC(=O)[C@]12CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154687364 1223016032 /nfs/dbraw/zinc/01/60/32/1223016032.db2.gz OJWMIBRVFACIKK-RDTXWAMCSA-N 2 1 361.446 0.292 20 0 FCADMP C(Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527291 1223037407 /nfs/dbraw/zinc/03/74/07/1223037407.db2.gz VTZMDISRGQWIOC-BZUAXINKSA-N 2 1 373.505 0.530 20 0 FCADMP C1CCN(c2nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c(N3CCCC3)n2)C1 ZINC001155627413 1223040430 /nfs/dbraw/zinc/04/04/30/1223040430.db2.gz ZWARILSJYGMFKW-KXBFYZLASA-N 2 1 373.505 0.817 20 0 FCADMP CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)CN2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922497 1223060669 /nfs/dbraw/zinc/06/06/69/1223060669.db2.gz HDNDHKISMMJKPF-BWTSREIZSA-N 2 1 368.522 0.044 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCN(c4ncc(O)cn4)CC3)n2)CC1 ZINC001157240075 1223071261 /nfs/dbraw/zinc/07/12/61/1223071261.db2.gz JDZIISYURRFJGP-UHFFFAOYSA-N 2 1 356.434 0.226 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCn2cncn2)O1 ZINC001158124134 1223089409 /nfs/dbraw/zinc/08/94/09/1223089409.db2.gz IDQDDOOCRTWIBT-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCn2cncn2)O1 ZINC001158124134 1223089413 /nfs/dbraw/zinc/08/94/13/1223089413.db2.gz IDQDDOOCRTWIBT-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCn2cncn2)O1 ZINC001158124134 1223089416 /nfs/dbraw/zinc/08/94/16/1223089416.db2.gz IDQDDOOCRTWIBT-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCn2cncn2)O1 ZINC001158124134 1223089420 /nfs/dbraw/zinc/08/94/20/1223089420.db2.gz IDQDDOOCRTWIBT-BRWVUGGUSA-N 2 1 364.494 0.310 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138581 1223090316 /nfs/dbraw/zinc/09/03/16/1223090316.db2.gz XJRRGJUBDSHVED-ROUUACIJSA-N 3 1 360.502 0.993 20 0 FCADMP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001158282016 1223094178 /nfs/dbraw/zinc/09/41/78/1223094178.db2.gz INUHEIDMLAGPCD-WBVHZDCISA-N 2 1 365.478 0.721 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@H+]1C ZINC001158379565 1223095949 /nfs/dbraw/zinc/09/59/49/1223095949.db2.gz CLJMAHPGWKSRHB-BFYDXBDKSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccccc2F)CC[N@H+]1C ZINC001158381120 1223096228 /nfs/dbraw/zinc/09/62/28/1223096228.db2.gz YFJGKTOADUMDKN-GDBMZVCRSA-N 2 1 364.465 0.878 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421222 1223097413 /nfs/dbraw/zinc/09/74/13/1223097413.db2.gz CZUBFDIYVDOKOL-MHORFTMASA-N 2 1 357.454 0.870 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558583 1223102139 /nfs/dbraw/zinc/10/21/39/1223102139.db2.gz SQAGKPIPWNZNQH-DYXWJJEUSA-N 2 1 371.529 0.343 20 0 FCADMP [NH3+][C@H](C(=O)N1CCc2ncc(CN3CCCC3)n2CC1)C1CC[NH2+]CC1 ZINC001159157523 1223119859 /nfs/dbraw/zinc/11/98/59/1223119859.db2.gz HHSNSFYRLBFQKG-SFHVURJKSA-N 2 1 360.506 0.191 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N(c1cccc(C)c1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001159339724 1223125078 /nfs/dbraw/zinc/12/50/78/1223125078.db2.gz QQQUOGHJWASMHI-LNLFQRSKSA-N 2 1 361.442 0.739 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CC[NH2+]CC1)CCC2 ZINC001159481526 1223127964 /nfs/dbraw/zinc/12/79/64/1223127964.db2.gz UEDUJVMCRGEGKE-UHFFFAOYSA-N 2 1 361.490 0.815 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CCCCNC(N)=[NH2+])C2 ZINC001159481878 1223128075 /nfs/dbraw/zinc/12/80/75/1223128075.db2.gz XHZIFNOGUVADSQ-VQIMIIECSA-N 2 1 365.522 0.847 20 0 FCADMP O=C(c1cc2n(n1)CC[NH2+]C2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159565909 1223129928 /nfs/dbraw/zinc/12/99/28/1223129928.db2.gz JLOJERMAYGLLPF-UHFFFAOYSA-N 2 1 369.473 0.871 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]([NH3+])CC(F)F)C3)O2)CC1 ZINC001159759119 1223135615 /nfs/dbraw/zinc/13/56/15/1223135615.db2.gz YDERCVFSEQMAIW-RVKKMQEKSA-N 2 1 374.476 0.757 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856318 1223138508 /nfs/dbraw/zinc/13/85/08/1223138508.db2.gz SWJRGHKOAJHQEU-RYQLBKOJSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856318 1223138509 /nfs/dbraw/zinc/13/85/09/1223138509.db2.gz SWJRGHKOAJHQEU-RYQLBKOJSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856318 1223138511 /nfs/dbraw/zinc/13/85/11/1223138511.db2.gz SWJRGHKOAJHQEU-RYQLBKOJSA-N 2 1 373.432 0.783 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159898646 1223139284 /nfs/dbraw/zinc/13/92/84/1223139284.db2.gz RRMYFDYMKBFJTH-MOPGFXCFSA-N 2 1 370.453 0.772 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159898646 1223139288 /nfs/dbraw/zinc/13/92/88/1223139288.db2.gz RRMYFDYMKBFJTH-MOPGFXCFSA-N 2 1 370.453 0.772 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160061036 1223143984 /nfs/dbraw/zinc/14/39/84/1223143984.db2.gz ZOJJIHROESEYOO-UHFFFAOYSA-N 2 1 369.473 0.256 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414866 1223158627 /nfs/dbraw/zinc/15/86/27/1223158627.db2.gz FKRWYOAYDLMPAH-IBGZPJMESA-N 2 1 372.473 0.164 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422496 1223159063 /nfs/dbraw/zinc/15/90/63/1223159063.db2.gz HACXNTPTRZZKGT-IKLKHMQRSA-N 2 1 358.486 0.863 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@H]21 ZINC001160422498 1223159372 /nfs/dbraw/zinc/15/93/72/1223159372.db2.gz HACXNTPTRZZKGT-LZBKUMLDSA-N 2 1 358.486 0.863 20 0 FCADMP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160839154 1223176738 /nfs/dbraw/zinc/17/67/38/1223176738.db2.gz NTNLJMXCSYQBAZ-GJZGRUSLSA-N 2 1 362.453 0.816 20 0 FCADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160826150 1223176959 /nfs/dbraw/zinc/17/69/59/1223176959.db2.gz TUMMDUMFOWWCEL-AWEZNQCLSA-N 2 1 363.462 0.632 20 0 FCADMP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906087 1223180187 /nfs/dbraw/zinc/18/01/87/1223180187.db2.gz BLXPRDCFROVOBN-OALUTQOASA-N 3 1 360.502 0.845 20 0 FCADMP [NH3+]CCc1cn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c2ccncc12 ZINC001160950632 1223181938 /nfs/dbraw/zinc/18/19/38/1223181938.db2.gz ORVAFAWXMYTILU-UHFFFAOYSA-N 2 1 350.426 0.967 20 0 FCADMP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196410 1223188655 /nfs/dbraw/zinc/18/86/55/1223188655.db2.gz GONVTONSEJKIMV-AZUAARDMSA-N 3 1 364.534 0.537 20 0 FCADMP Cn1nc(N)cc1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198353 1223188963 /nfs/dbraw/zinc/18/89/63/1223188963.db2.gz QBIBMEOFNLJAJM-UHFFFAOYSA-N 2 1 364.494 0.166 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322261 1223195667 /nfs/dbraw/zinc/19/56/67/1223195667.db2.gz NOPXGHDBIUYTGP-ZVZYQTTQSA-N 2 1 367.538 0.014 20 0 FCADMP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379923 1223197964 /nfs/dbraw/zinc/19/79/64/1223197964.db2.gz RWBVBTIJDXLOEL-LPHOPBHVSA-N 3 1 363.550 0.474 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccnc1N1CC[NH+](C)CC1 ZINC001162730332 1223219226 /nfs/dbraw/zinc/21/92/26/1223219226.db2.gz LVIOYGPLMXLUQP-HNNXBMFYSA-N 2 1 364.494 0.772 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)CC1 ZINC001163337107 1223229334 /nfs/dbraw/zinc/22/93/34/1223229334.db2.gz WOUDSWJFBCAYIB-IKGGRYGDSA-N 2 1 354.458 0.923 20 0 FCADMP COCCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164583426 1223240319 /nfs/dbraw/zinc/24/03/19/1223240319.db2.gz ZHTIOYMFVPPYSR-HZPDHXFCSA-N 2 1 368.522 0.355 20 0 FCADMP CCOC(=O)[C@]12CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]1C[NH2+]CC2 ZINC001165172147 1223243193 /nfs/dbraw/zinc/24/31/93/1223243193.db2.gz GOEHYRAQVVXTTC-HNAYVOBHSA-N 2 1 374.489 0.207 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N(C)C3CC3)CC2)O1 ZINC001165711165 1223254463 /nfs/dbraw/zinc/25/44/63/1223254463.db2.gz HJEMECPBYUKIRB-GDBMZVCRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N(C)C3CC3)CC2)O1 ZINC001165711165 1223254468 /nfs/dbraw/zinc/25/44/68/1223254468.db2.gz HJEMECPBYUKIRB-GDBMZVCRSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1c(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cnn1C ZINC001204570541 1223303438 /nfs/dbraw/zinc/30/34/38/1223303438.db2.gz NFZCBBBKKOWPCJ-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP Cc1c(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cnn1C ZINC001204570541 1223303441 /nfs/dbraw/zinc/30/34/41/1223303441.db2.gz NFZCBBBKKOWPCJ-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP C[NH+](C)[C@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CC1 ZINC001205144651 1223312437 /nfs/dbraw/zinc/31/24/37/1223312437.db2.gz JNOIHXRZXBYMMY-QRVBRYPASA-N 2 1 361.486 0.393 20 0 FCADMP C[NH+](C)C1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)CCC1 ZINC001205150316 1223312738 /nfs/dbraw/zinc/31/27/38/1223312738.db2.gz ANOSTNRTQIAAKQ-QZTJIDSGSA-N 2 1 361.486 0.537 20 0 FCADMP COCCOC[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205335290 1223320124 /nfs/dbraw/zinc/32/01/24/1223320124.db2.gz WNNHSFVQLUWLOL-BPQIPLTHSA-N 2 1 371.522 0.179 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205318928 1223320148 /nfs/dbraw/zinc/32/01/48/1223320148.db2.gz VNUJQNURYYEYIR-DLBZAZTESA-N 2 1 364.465 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001205339417 1223320545 /nfs/dbraw/zinc/32/05/45/1223320545.db2.gz FWODRKXXLWFWOX-AEGPPILISA-N 2 1 367.494 0.128 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001205393302 1223321679 /nfs/dbraw/zinc/32/16/79/1223321679.db2.gz AMQWNUGMRMMFDO-KSZLIROESA-N 2 1 365.449 0.687 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001205393302 1223321682 /nfs/dbraw/zinc/32/16/82/1223321682.db2.gz AMQWNUGMRMMFDO-KSZLIROESA-N 2 1 365.449 0.687 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205387849 1223321760 /nfs/dbraw/zinc/32/17/60/1223321760.db2.gz NCSQHAMIUPJWOH-GVDBMIGSSA-N 2 1 362.449 0.550 20 0 FCADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001205681876 1223335143 /nfs/dbraw/zinc/33/51/43/1223335143.db2.gz NWMMXWCPGBOKHU-IBGZPJMESA-N 3 1 358.490 0.872 20 0 FCADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001205681876 1223335144 /nfs/dbraw/zinc/33/51/44/1223335144.db2.gz NWMMXWCPGBOKHU-IBGZPJMESA-N 3 1 358.490 0.872 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001207397727 1223443027 /nfs/dbraw/zinc/44/30/27/1223443027.db2.gz RNXHAXVLYUKPJR-YLJYHZDGSA-N 2 1 372.517 0.835 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC1 ZINC001207397879 1223443078 /nfs/dbraw/zinc/44/30/78/1223443078.db2.gz SYDUXVYZAYHMJE-JENIJYKNSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001207396959 1223443561 /nfs/dbraw/zinc/44/35/61/1223443561.db2.gz AYGCQYBCBGHICE-LJQANCHMSA-N 2 1 361.490 0.726 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001207397463 1223443739 /nfs/dbraw/zinc/44/37/39/1223443739.db2.gz LHBSPVLCVSXPPN-QRVBRYPASA-N 2 1 365.518 0.772 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207537480 1223452854 /nfs/dbraw/zinc/45/28/54/1223452854.db2.gz BIHDAGBGOAFZBJ-HZSPNIEDSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682668 1223469987 /nfs/dbraw/zinc/46/99/87/1223469987.db2.gz STHXVUBNVPXSTA-NVXWUHKLSA-N 2 1 362.518 0.825 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766906 1223478094 /nfs/dbraw/zinc/47/80/94/1223478094.db2.gz JKVKZNRIRFEAOH-NVXWUHKLSA-N 2 1 361.490 0.823 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766906 1223478097 /nfs/dbraw/zinc/47/80/97/1223478097.db2.gz JKVKZNRIRFEAOH-NVXWUHKLSA-N 2 1 361.490 0.823 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092625 1223515357 /nfs/dbraw/zinc/51/53/57/1223515357.db2.gz SRONKWNODAYJRR-ZIAGYGMSSA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092625 1223515361 /nfs/dbraw/zinc/51/53/61/1223515361.db2.gz SRONKWNODAYJRR-ZIAGYGMSSA-N 2 1 367.494 0.130 20 0 FCADMP C[N@H+]1CCC[C@H](CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615329 1223563619 /nfs/dbraw/zinc/56/36/19/1223563619.db2.gz VWPZEZSYOLOGMH-MANSERQUSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615329 1223563632 /nfs/dbraw/zinc/56/36/32/1223563632.db2.gz VWPZEZSYOLOGMH-MANSERQUSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C1 ZINC001208615329 1223563638 /nfs/dbraw/zinc/56/36/38/1223563638.db2.gz VWPZEZSYOLOGMH-MANSERQUSA-N 2 1 365.518 0.914 20 0 FCADMP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612183 1223564168 /nfs/dbraw/zinc/56/41/68/1223564168.db2.gz GJHHAKTZHWLIOK-OALUTQOASA-N 2 1 360.550 0.904 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676912 1223569842 /nfs/dbraw/zinc/56/98/42/1223569842.db2.gz RVHLTGNXBDHWCP-NZSAHSFTSA-N 2 1 363.502 0.605 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676912 1223569846 /nfs/dbraw/zinc/56/98/46/1223569846.db2.gz RVHLTGNXBDHWCP-NZSAHSFTSA-N 2 1 363.502 0.605 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676912 1223569852 /nfs/dbraw/zinc/56/98/52/1223569852.db2.gz RVHLTGNXBDHWCP-NZSAHSFTSA-N 2 1 363.502 0.605 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676912 1223569856 /nfs/dbraw/zinc/56/98/56/1223569856.db2.gz RVHLTGNXBDHWCP-NZSAHSFTSA-N 2 1 363.502 0.605 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001209648786 1223636909 /nfs/dbraw/zinc/63/69/09/1223636909.db2.gz GTSRIDSOGMTUAE-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001209648786 1223636912 /nfs/dbraw/zinc/63/69/12/1223636912.db2.gz GTSRIDSOGMTUAE-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315728 1223681940 /nfs/dbraw/zinc/68/19/40/1223681940.db2.gz VQHRAIAPVUCUHV-NVXWUHKLSA-N 2 1 364.490 0.995 20 0 FCADMP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315728 1223681945 /nfs/dbraw/zinc/68/19/45/1223681945.db2.gz VQHRAIAPVUCUHV-NVXWUHKLSA-N 2 1 364.490 0.995 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330051 1223683121 /nfs/dbraw/zinc/68/31/21/1223683121.db2.gz NHMTUJJCYOGLJO-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330051 1223683123 /nfs/dbraw/zinc/68/31/23/1223683123.db2.gz NHMTUJJCYOGLJO-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426237 1223690042 /nfs/dbraw/zinc/69/00/42/1223690042.db2.gz CRCGBMMQXXMVRK-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426237 1223690045 /nfs/dbraw/zinc/69/00/45/1223690045.db2.gz CRCGBMMQXXMVRK-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497651 1223694604 /nfs/dbraw/zinc/69/46/04/1223694604.db2.gz GOINKAPJKPINMT-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497651 1223694606 /nfs/dbraw/zinc/69/46/06/1223694606.db2.gz GOINKAPJKPINMT-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497651 1223694608 /nfs/dbraw/zinc/69/46/08/1223694608.db2.gz GOINKAPJKPINMT-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497651 1223694610 /nfs/dbraw/zinc/69/46/10/1223694610.db2.gz GOINKAPJKPINMT-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309605 1223734243 /nfs/dbraw/zinc/73/42/43/1223734243.db2.gz GVNYTHDCWBUUTQ-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309605 1223734246 /nfs/dbraw/zinc/73/42/46/1223734246.db2.gz GVNYTHDCWBUUTQ-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342127 1223788185 /nfs/dbraw/zinc/78/81/85/1223788185.db2.gz IAPGLJMKXCQHFD-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346447 1223788747 /nfs/dbraw/zinc/78/87/47/1223788747.db2.gz MXOIKJCUQSFPEE-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346447 1223788751 /nfs/dbraw/zinc/78/87/51/1223788751.db2.gz MXOIKJCUQSFPEE-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346675 1223788998 /nfs/dbraw/zinc/78/89/98/1223788998.db2.gz XZKMACPTXUKAKN-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348417 1223789455 /nfs/dbraw/zinc/78/94/55/1223789455.db2.gz LVNWOZOUQMWBQA-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368456 1223791109 /nfs/dbraw/zinc/79/11/09/1223791109.db2.gz ALRXEJUIWPYKAF-RCCFBDPRSA-N 2 1 371.522 0.177 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378391 1223792427 /nfs/dbraw/zinc/79/24/27/1223792427.db2.gz OVLZGVYGXCARRK-RCCFBDPRSA-N 2 1 367.465 0.496 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434576 1223798480 /nfs/dbraw/zinc/79/84/80/1223798480.db2.gz HSFMKEGGIPAJPO-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434576 1223798483 /nfs/dbraw/zinc/79/84/83/1223798483.db2.gz HSFMKEGGIPAJPO-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446475 1223799807 /nfs/dbraw/zinc/79/98/07/1223799807.db2.gz MLAKYBJGQPHNFP-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446475 1223799808 /nfs/dbraw/zinc/79/98/08/1223799808.db2.gz MLAKYBJGQPHNFP-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446475 1223799811 /nfs/dbraw/zinc/79/98/11/1223799811.db2.gz MLAKYBJGQPHNFP-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446475 1223799812 /nfs/dbraw/zinc/79/98/12/1223799812.db2.gz MLAKYBJGQPHNFP-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574950 1223816093 /nfs/dbraw/zinc/81/60/93/1223816093.db2.gz REAWVZKMOHJBQG-RCCFBDPRSA-N 2 1 365.474 0.185 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1OC ZINC001213588721 1223819559 /nfs/dbraw/zinc/81/95/59/1223819559.db2.gz QMPYJOGEGXWURN-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1OC ZINC001213588721 1223819560 /nfs/dbraw/zinc/81/95/60/1223819560.db2.gz QMPYJOGEGXWURN-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001213588721 1223819561 /nfs/dbraw/zinc/81/95/61/1223819561.db2.gz QMPYJOGEGXWURN-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001213588721 1223819562 /nfs/dbraw/zinc/81/95/62/1223819562.db2.gz QMPYJOGEGXWURN-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC)C(C)C ZINC001213593260 1223820012 /nfs/dbraw/zinc/82/00/12/1223820012.db2.gz RBXNCVUJRRSINS-BRWVUGGUSA-N 2 1 366.510 0.460 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC)C(C)C ZINC001213593260 1223820014 /nfs/dbraw/zinc/82/00/14/1223820014.db2.gz RBXNCVUJRRSINS-BRWVUGGUSA-N 2 1 366.510 0.460 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213596821 1223820457 /nfs/dbraw/zinc/82/04/57/1223820457.db2.gz LVVQUIJNYPWDDV-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213596820 1223820725 /nfs/dbraw/zinc/82/07/25/1223820725.db2.gz LVVQUIJNYPWDDV-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213763494 1223846087 /nfs/dbraw/zinc/84/60/87/1223846087.db2.gz WDASVZMFVMBPPW-HZPDHXFCSA-N 2 1 367.494 0.858 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213763494 1223846088 /nfs/dbraw/zinc/84/60/88/1223846088.db2.gz WDASVZMFVMBPPW-HZPDHXFCSA-N 2 1 367.494 0.858 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213763494 1223846090 /nfs/dbraw/zinc/84/60/90/1223846090.db2.gz WDASVZMFVMBPPW-HZPDHXFCSA-N 2 1 367.494 0.858 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767402 1223846689 /nfs/dbraw/zinc/84/66/89/1223846689.db2.gz RMNZJEQCBIAXDQ-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767402 1223846690 /nfs/dbraw/zinc/84/66/90/1223846690.db2.gz RMNZJEQCBIAXDQ-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767402 1223846692 /nfs/dbraw/zinc/84/66/92/1223846692.db2.gz RMNZJEQCBIAXDQ-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921560 1223873191 /nfs/dbraw/zinc/87/31/91/1223873191.db2.gz DQGRLWBSWCXCLJ-KBAYOESNSA-N 2 1 365.474 0.185 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974031 1223879783 /nfs/dbraw/zinc/87/97/83/1223879783.db2.gz DZDHLZGPIOWEEY-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974031 1223879805 /nfs/dbraw/zinc/87/98/05/1223879805.db2.gz DZDHLZGPIOWEEY-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001213975324 1223880178 /nfs/dbraw/zinc/88/01/78/1223880178.db2.gz BRWFLWLGMJLVEY-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001213975324 1223880179 /nfs/dbraw/zinc/88/01/79/1223880179.db2.gz BRWFLWLGMJLVEY-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001213975324 1223880180 /nfs/dbraw/zinc/88/01/80/1223880180.db2.gz BRWFLWLGMJLVEY-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001213975324 1223880181 /nfs/dbraw/zinc/88/01/81/1223880181.db2.gz BRWFLWLGMJLVEY-IPMKNSEASA-N 2 1 361.486 0.970 20 0 FCADMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276709398 1223895876 /nfs/dbraw/zinc/89/58/76/1223895876.db2.gz MMANTLJBJRZHKZ-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276709398 1223895878 /nfs/dbraw/zinc/89/58/78/1223895878.db2.gz MMANTLJBJRZHKZ-IBGZPJMESA-N 2 1 362.474 0.845 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)n(C)n1 ZINC001214337697 1223902396 /nfs/dbraw/zinc/90/23/96/1223902396.db2.gz AMWDFYKHXBUVGP-BPLDGKMQSA-N 2 1 362.478 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001214665956 1223930513 /nfs/dbraw/zinc/93/05/13/1223930513.db2.gz NUKJKZYUJVRXRZ-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001214780222 1223941815 /nfs/dbraw/zinc/94/18/15/1223941815.db2.gz PWWPYTGPQVNIKU-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001214863438 1223949121 /nfs/dbraw/zinc/94/91/21/1223949121.db2.gz NRYIHCGUDVKIKO-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214890010 1223951995 /nfs/dbraw/zinc/95/19/95/1223951995.db2.gz RSUBUFIDRABJTI-QLFBSQMISA-N 2 1 363.462 0.924 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001214894771 1223952955 /nfs/dbraw/zinc/95/29/55/1223952955.db2.gz QMDIOGWBJMHQSR-IXYNUQLISA-N 2 1 362.478 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214969203 1223960835 /nfs/dbraw/zinc/96/08/35/1223960835.db2.gz KZWRBMRLKYTZAP-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215001339 1223963067 /nfs/dbraw/zinc/96/30/67/1223963067.db2.gz DUKMLGSEKXLANX-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215185116 1223980819 /nfs/dbraw/zinc/98/08/19/1223980819.db2.gz ZELUTDMVHPDKCN-QUJXQBBWSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001215392954 1223995662 /nfs/dbraw/zinc/99/56/62/1223995662.db2.gz IGEYFIFUEQPNDF-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001215392954 1223995665 /nfs/dbraw/zinc/99/56/65/1223995665.db2.gz IGEYFIFUEQPNDF-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392806 1223995909 /nfs/dbraw/zinc/99/59/09/1223995909.db2.gz CCWHHCYRMFUVDQ-ZACQAIPSSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392806 1223995911 /nfs/dbraw/zinc/99/59/11/1223995911.db2.gz CCWHHCYRMFUVDQ-ZACQAIPSSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001215461056 1224000591 /nfs/dbraw/zinc/00/05/91/1224000591.db2.gz PWALXLUIGJXKEP-TZMCWYRMSA-N 2 1 359.434 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH2+]CCOCCO ZINC001215544476 1224005555 /nfs/dbraw/zinc/00/55/55/1224005555.db2.gz WYIDOMONSOTQCD-RHSMWYFYSA-N 2 1 366.462 0.329 20 0 FCADMP CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215939190 1224025579 /nfs/dbraw/zinc/02/55/79/1224025579.db2.gz YFVOLOGYHQTKOJ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001215938722 1224025871 /nfs/dbraw/zinc/02/58/71/1224025871.db2.gz LFXJVKBHYZTYBK-FGTMMUONSA-N 2 1 369.506 0.341 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216507501 1224053600 /nfs/dbraw/zinc/05/36/00/1224053600.db2.gz YGBPJLJHYBNSPB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216514578 1224053610 /nfs/dbraw/zinc/05/36/10/1224053610.db2.gz JSYFDPXJUQHKLU-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216511154 1224053864 /nfs/dbraw/zinc/05/38/64/1224053864.db2.gz KKZMGNVMYQHUAB-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752433 1224068503 /nfs/dbraw/zinc/06/85/03/1224068503.db2.gz OMPMEPFODAMRJQ-VHDGCEQUSA-N 2 1 362.478 0.055 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCc3ccnn3C)CC2)O1 ZINC000985497327 1248947722 /nfs/dbraw/zinc/94/77/22/1248947722.db2.gz VHDUQEZTOVGQGN-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CCc3ccnn3C)CC2)O1 ZINC000985497327 1248947736 /nfs/dbraw/zinc/94/77/36/1248947736.db2.gz VHDUQEZTOVGQGN-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CCc3ccnn3C)CC2)O1 ZINC000985497327 1248947745 /nfs/dbraw/zinc/94/77/45/1248947745.db2.gz VHDUQEZTOVGQGN-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CCc3ccnn3C)CC2)O1 ZINC000985497327 1248947755 /nfs/dbraw/zinc/94/77/55/1248947755.db2.gz VHDUQEZTOVGQGN-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994027919 1250153012 /nfs/dbraw/zinc/15/30/12/1250153012.db2.gz AXKJLORWIZHCED-BRWVUGGUSA-N 2 1 364.534 0.881 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848614828 1245375848 /nfs/dbraw/zinc/37/58/48/1245375848.db2.gz YGWNHYIWPILXFR-ROUUACIJSA-N 2 1 358.486 0.937 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000891504649 1245451832 /nfs/dbraw/zinc/45/18/32/1245451832.db2.gz UDNCDQPIACXUFZ-IRXDYDNUSA-N 2 1 362.474 0.899 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538723 1245453573 /nfs/dbraw/zinc/45/35/73/1245453573.db2.gz SGIMWHCLOKBRFE-JONQDZQNSA-N 2 1 365.478 0.437 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000911518075 1245504559 /nfs/dbraw/zinc/50/45/59/1245504559.db2.gz OIYBPCDNUFZABD-KBRIMQKVSA-N 2 1 374.485 0.031 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@H+]1CC(C)(C)O ZINC000911518075 1245504565 /nfs/dbraw/zinc/50/45/65/1245504565.db2.gz OIYBPCDNUFZABD-KBRIMQKVSA-N 2 1 374.485 0.031 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)CC2)c1 ZINC000911558795 1245513773 /nfs/dbraw/zinc/51/37/73/1245513773.db2.gz UUMAFHYEULOBCP-INIZCTEOSA-N 2 1 359.474 0.687 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564044 1245514699 /nfs/dbraw/zinc/51/46/99/1245514699.db2.gz RKMKTDGMTYQUDR-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000916759376 1245540285 /nfs/dbraw/zinc/54/02/85/1245540285.db2.gz LFXFALAZZPSXSN-INIZCTEOSA-N 2 1 361.494 0.382 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[N@H+](C)C[C@H]1c1ccccc1)C2=O ZINC000917462766 1245556848 /nfs/dbraw/zinc/55/68/48/1245556848.db2.gz IYEUWJPVGKNOMD-KRWDZBQOSA-N 2 1 371.485 0.949 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[N@@H+](C)C[C@H]1c1ccccc1)C2=O ZINC000917462766 1245556850 /nfs/dbraw/zinc/55/68/50/1245556850.db2.gz IYEUWJPVGKNOMD-KRWDZBQOSA-N 2 1 371.485 0.949 20 0 FCADMP O=C([C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282344 1245705155 /nfs/dbraw/zinc/70/51/55/1245705155.db2.gz NQLQMURXGHSPFN-JKSUJKDBSA-N 2 1 365.449 0.709 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400078 1245714558 /nfs/dbraw/zinc/71/45/58/1245714558.db2.gz WKHIJNTYKAUGGF-HZPDHXFCSA-N 3 1 360.506 0.377 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000923516759 1245724663 /nfs/dbraw/zinc/72/46/63/1245724663.db2.gz RDMZICOFEFEYNR-DLBZAZTESA-N 2 1 371.485 0.904 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000923516759 1245724673 /nfs/dbraw/zinc/72/46/73/1245724673.db2.gz RDMZICOFEFEYNR-DLBZAZTESA-N 2 1 371.485 0.904 20 0 FCADMP COc1ccc(CN2CCN(C(=O)C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923518597 1245724889 /nfs/dbraw/zinc/72/48/89/1245724889.db2.gz WTNLWSYLIIJULU-RBUKOAKNSA-N 2 1 372.513 0.881 20 0 FCADMP COc1ccc(CN2CCN(C(=O)C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923518597 1245724896 /nfs/dbraw/zinc/72/48/96/1245724896.db2.gz WTNLWSYLIIJULU-RBUKOAKNSA-N 2 1 372.513 0.881 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000938680982 1245898531 /nfs/dbraw/zinc/89/85/31/1245898531.db2.gz BFJJRMPNCCXLTQ-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000938680982 1245898540 /nfs/dbraw/zinc/89/85/40/1245898540.db2.gz BFJJRMPNCCXLTQ-OWCLPIDISA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938778255 1245919304 /nfs/dbraw/zinc/91/93/04/1245919304.db2.gz JNBCJRGRDOGEHV-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938778255 1245919312 /nfs/dbraw/zinc/91/93/12/1245919312.db2.gz JNBCJRGRDOGEHV-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000941272564 1246535836 /nfs/dbraw/zinc/53/58/36/1246535836.db2.gz YVJGZKKQIJFMKQ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@H]4CCCCO4)C3)CC2)CC[N@@H+]1C ZINC000941412496 1246607982 /nfs/dbraw/zinc/60/79/82/1246607982.db2.gz HVKHSFXAXIBGFT-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@H]4CCCCO4)C3)CC2)CC[N@H+]1C ZINC000941412496 1246607987 /nfs/dbraw/zinc/60/79/87/1246607987.db2.gz HVKHSFXAXIBGFT-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000943705782 1247392093 /nfs/dbraw/zinc/39/20/93/1247392093.db2.gz OSIFCIZKEGZQJP-ZHCJQAHYSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000943705782 1247392103 /nfs/dbraw/zinc/39/21/03/1247392103.db2.gz OSIFCIZKEGZQJP-ZHCJQAHYSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000943705782 1247392113 /nfs/dbraw/zinc/39/21/13/1247392113.db2.gz OSIFCIZKEGZQJP-ZHCJQAHYSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000943705782 1247392122 /nfs/dbraw/zinc/39/21/22/1247392122.db2.gz OSIFCIZKEGZQJP-ZHCJQAHYSA-N 2 1 366.506 0.201 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943796986 1247416932 /nfs/dbraw/zinc/41/69/32/1247416932.db2.gz SVWALVMYEUKTHO-BRWVUGGUSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000944465583 1247560632 /nfs/dbraw/zinc/56/06/32/1247560632.db2.gz KBPZXFSLLIKTAM-FIDHJVLJSA-N 2 1 366.506 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000944465583 1247560636 /nfs/dbraw/zinc/56/06/36/1247560636.db2.gz KBPZXFSLLIKTAM-FIDHJVLJSA-N 2 1 366.506 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000944465583 1247560645 /nfs/dbraw/zinc/56/06/45/1247560645.db2.gz KBPZXFSLLIKTAM-FIDHJVLJSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@H+]1C ZINC000944619501 1247585015 /nfs/dbraw/zinc/58/50/15/1247585015.db2.gz XTOBLDSPBOKKSO-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000946776050 1248012345 /nfs/dbraw/zinc/01/23/45/1248012345.db2.gz ZIHHAWAJAILZLK-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000946776050 1248012361 /nfs/dbraw/zinc/01/23/61/1248012361.db2.gz ZIHHAWAJAILZLK-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000946776050 1248012372 /nfs/dbraw/zinc/01/23/72/1248012372.db2.gz ZIHHAWAJAILZLK-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1)[NH+](C)C ZINC000946776057 1248012803 /nfs/dbraw/zinc/01/28/03/1248012803.db2.gz ZPTHKSYHFZSQJW-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327929846 1265455895 /nfs/dbraw/zinc/45/58/95/1265455895.db2.gz VZDZLRJFRBSHHN-UKRRQHHQSA-N 2 1 358.450 0.113 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@H]32)CC[N@H+]1C ZINC000976598362 1248272851 /nfs/dbraw/zinc/27/28/51/1248272851.db2.gz CXCZYCBZCALXMM-FUEZWAHWSA-N 2 1 367.453 0.861 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976602431 1248281455 /nfs/dbraw/zinc/28/14/55/1248281455.db2.gz RAXRLOKNPROHPD-ZXLDYLNASA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976602431 1248281467 /nfs/dbraw/zinc/28/14/67/1248281467.db2.gz RAXRLOKNPROHPD-ZXLDYLNASA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976602431 1248281474 /nfs/dbraw/zinc/28/14/74/1248281474.db2.gz RAXRLOKNPROHPD-ZXLDYLNASA-N 2 1 362.518 0.772 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976986275 1248509138 /nfs/dbraw/zinc/50/91/38/1248509138.db2.gz HJMNCBDJGZTRPQ-BRWVUGGUSA-N 2 1 362.518 0.968 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000994336257 1250385197 /nfs/dbraw/zinc/38/51/97/1250385197.db2.gz RTIXHUFBKFVRQR-GDBMZVCRSA-N 2 1 359.474 0.498 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001515328252 1265505465 /nfs/dbraw/zinc/50/54/65/1265505465.db2.gz VEGFETFTCNXWOS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001515328252 1265505471 /nfs/dbraw/zinc/50/54/71/1265505471.db2.gz VEGFETFTCNXWOS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001515328252 1265505476 /nfs/dbraw/zinc/50/54/76/1265505476.db2.gz VEGFETFTCNXWOS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001515328252 1265505487 /nfs/dbraw/zinc/50/54/87/1265505487.db2.gz VEGFETFTCNXWOS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1c(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccc2c[nH+]cn21 ZINC000995009705 1250723352 /nfs/dbraw/zinc/72/33/52/1250723352.db2.gz VDABGXYQBPECRM-SJKOYZFVSA-N 2 1 371.441 0.302 20 0 FCADMP Cc1c(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccc2c[nH+]cn21 ZINC000995009705 1250723367 /nfs/dbraw/zinc/72/33/67/1250723367.db2.gz VDABGXYQBPECRM-SJKOYZFVSA-N 2 1 371.441 0.302 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995151495 1250731617 /nfs/dbraw/zinc/73/16/17/1250731617.db2.gz JOXAJSKXSTYRBA-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995151495 1250731628 /nfs/dbraw/zinc/73/16/28/1250731628.db2.gz JOXAJSKXSTYRBA-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000995151495 1250731634 /nfs/dbraw/zinc/73/16/34/1250731634.db2.gz JOXAJSKXSTYRBA-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000995151495 1250731644 /nfs/dbraw/zinc/73/16/44/1250731644.db2.gz JOXAJSKXSTYRBA-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995957056 1251091817 /nfs/dbraw/zinc/09/18/17/1251091817.db2.gz JJWXXSMTESGSPF-XYPHTWIQSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995957056 1251091822 /nfs/dbraw/zinc/09/18/22/1251091822.db2.gz JJWXXSMTESGSPF-XYPHTWIQSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)Cn3c[nH+]c4c3CCCC4)C2)CC[N@@H+]1C ZINC000996116387 1251173292 /nfs/dbraw/zinc/17/32/92/1251173292.db2.gz UCUFTNIOLUQZPD-UKRRQHHQSA-N 2 1 359.474 0.429 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)Cn3c[nH+]c4c3CCCC4)C2)CC[N@H+]1C ZINC000996116387 1251173297 /nfs/dbraw/zinc/17/32/97/1251173297.db2.gz UCUFTNIOLUQZPD-UKRRQHHQSA-N 2 1 359.474 0.429 20 0 FCADMP COC[C@@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001328485187 1265558683 /nfs/dbraw/zinc/55/86/83/1265558683.db2.gz GAJXVQCHXABZJN-IXDOHACOSA-N 2 1 369.506 0.027 20 0 FCADMP COC[C@@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001328485187 1265558694 /nfs/dbraw/zinc/55/86/94/1265558694.db2.gz GAJXVQCHXABZJN-IXDOHACOSA-N 2 1 369.506 0.027 20 0 FCADMP CCOCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+](C)C(C)C ZINC001516608452 1265560484 /nfs/dbraw/zinc/56/04/84/1265560484.db2.gz BYNXLLIPKVXCQY-INIZCTEOSA-N 2 1 366.510 0.676 20 0 FCADMP CCOCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+](C)C(C)C ZINC001516608452 1265560494 /nfs/dbraw/zinc/56/04/94/1265560494.db2.gz BYNXLLIPKVXCQY-INIZCTEOSA-N 2 1 366.510 0.676 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+](C)C(C)C ZINC001516608452 1265560500 /nfs/dbraw/zinc/56/05/00/1265560500.db2.gz BYNXLLIPKVXCQY-INIZCTEOSA-N 2 1 366.510 0.676 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+](C)C(C)C ZINC001516608452 1265560506 /nfs/dbraw/zinc/56/05/06/1265560506.db2.gz BYNXLLIPKVXCQY-INIZCTEOSA-N 2 1 366.510 0.676 20 0 FCADMP CCCCN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000996328094 1251317227 /nfs/dbraw/zinc/31/72/27/1251317227.db2.gz CHNRZCDKHAGJOI-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CCCn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000996602904 1251402276 /nfs/dbraw/zinc/40/22/76/1251402276.db2.gz ILSPCLGGOCEUIM-JKSUJKDBSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996607327 1251403390 /nfs/dbraw/zinc/40/33/90/1251403390.db2.gz MWGGLGFPNMMYOQ-GDBMZVCRSA-N 2 1 363.510 0.894 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnnn3C(C)(C)C)CC2)CC[N@H+]1C ZINC000996607181 1251403688 /nfs/dbraw/zinc/40/36/88/1251403688.db2.gz KZXVVTROMLBHMW-UKRRQHHQSA-N 2 1 363.510 0.849 20 0 FCADMP COc1nccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712557 1251419806 /nfs/dbraw/zinc/41/98/06/1251419806.db2.gz QLUAMMUQACUVBY-CZUORRHYSA-N 2 1 363.462 0.285 20 0 FCADMP COc1nccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712557 1251419816 /nfs/dbraw/zinc/41/98/16/1251419816.db2.gz QLUAMMUQACUVBY-CZUORRHYSA-N 2 1 363.462 0.285 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000996718762 1251424453 /nfs/dbraw/zinc/42/44/53/1251424453.db2.gz HFZHSSIGVNDYAK-OWSLCNJRSA-N 2 1 371.485 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)C2)CC[N@H+]1C ZINC000996913786 1251449211 /nfs/dbraw/zinc/44/92/11/1251449211.db2.gz YNHBICTZHCYWAL-CZUORRHYSA-N 2 1 368.441 0.548 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000998793513 1251969099 /nfs/dbraw/zinc/96/90/99/1251969099.db2.gz JLCQVOIOHKGDRH-PFSRBDOWSA-N 2 1 364.494 0.945 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000998793513 1251969107 /nfs/dbraw/zinc/96/91/07/1251969107.db2.gz JLCQVOIOHKGDRH-PFSRBDOWSA-N 2 1 364.494 0.945 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000998987997 1252017329 /nfs/dbraw/zinc/01/73/29/1252017329.db2.gz QJGBKGVYAPYIEC-RDHHWEPZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000998987997 1252017338 /nfs/dbraw/zinc/01/73/38/1252017338.db2.gz QJGBKGVYAPYIEC-RDHHWEPZSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001517857114 1265637074 /nfs/dbraw/zinc/63/70/74/1265637074.db2.gz PDZLHUROAGZKON-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC001002260643 1252494735 /nfs/dbraw/zinc/49/47/35/1252494735.db2.gz SBFREIZSRORQNG-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC001002505830 1252581579 /nfs/dbraw/zinc/58/15/79/1252581579.db2.gz CBQVYZOMNNFLNR-BMFZPTHFSA-N 2 1 359.474 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC001002505830 1252581587 /nfs/dbraw/zinc/58/15/87/1252581587.db2.gz CBQVYZOMNNFLNR-BMFZPTHFSA-N 2 1 359.474 0.675 20 0 FCADMP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001002789348 1252675253 /nfs/dbraw/zinc/67/52/53/1252675253.db2.gz DGMROEBKZWZCEM-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001002833323 1252695879 /nfs/dbraw/zinc/69/58/79/1252695879.db2.gz UHXDQSINWZWTFF-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001002833323 1252695887 /nfs/dbraw/zinc/69/58/87/1252695887.db2.gz UHXDQSINWZWTFF-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002886094 1252730975 /nfs/dbraw/zinc/73/09/75/1252730975.db2.gz YGACAZYMXMXVCE-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002886094 1252730985 /nfs/dbraw/zinc/73/09/85/1252730985.db2.gz YGACAZYMXMXVCE-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002886094 1252730992 /nfs/dbraw/zinc/73/09/92/1252730992.db2.gz YGACAZYMXMXVCE-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002886094 1252730998 /nfs/dbraw/zinc/73/09/98/1252730998.db2.gz YGACAZYMXMXVCE-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001002951016 1252748840 /nfs/dbraw/zinc/74/88/40/1252748840.db2.gz JGVMVSXMSAIKQZ-TVFCKZIOSA-N 2 1 371.485 0.781 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003744693 1253086633 /nfs/dbraw/zinc/08/66/33/1253086633.db2.gz AFSYYBHHWKPLJD-HPBDAGMYSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001004216499 1253250831 /nfs/dbraw/zinc/25/08/31/1253250831.db2.gz PSIRXCZXNJQQRL-XLMAVXFVSA-N 2 1 359.474 0.780 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362845 1265716412 /nfs/dbraw/zinc/71/64/12/1265716412.db2.gz MNTBNEKDKJVJJQ-LPHOPBHVSA-N 2 1 360.502 0.674 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001329283959 1265726201 /nfs/dbraw/zinc/72/62/01/1265726201.db2.gz NIQCTZZXSKOZBG-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001329283959 1265726206 /nfs/dbraw/zinc/72/62/06/1265726206.db2.gz NIQCTZZXSKOZBG-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026917251 1253847808 /nfs/dbraw/zinc/84/78/08/1253847808.db2.gz YFESDTGDZUVTEZ-HLLBOEOZSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026917251 1253847825 /nfs/dbraw/zinc/84/78/25/1253847825.db2.gz YFESDTGDZUVTEZ-HLLBOEOZSA-N 2 1 364.494 0.516 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917131 1253848471 /nfs/dbraw/zinc/84/84/71/1253848471.db2.gz WTTUBQBAYATRQE-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917131 1253848480 /nfs/dbraw/zinc/84/84/80/1253848480.db2.gz WTTUBQBAYATRQE-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679535 1253886511 /nfs/dbraw/zinc/88/65/11/1253886511.db2.gz WIPADCAIJFJVPC-IKGGRYGDSA-N 2 1 366.506 0.045 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC001034676032 1254001429 /nfs/dbraw/zinc/00/14/29/1254001429.db2.gz VINVXNMJTHNTOQ-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC001034676032 1254001431 /nfs/dbraw/zinc/00/14/31/1254001431.db2.gz VINVXNMJTHNTOQ-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001061655570 1254198848 /nfs/dbraw/zinc/19/88/48/1254198848.db2.gz RFXXFKCELOMUML-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCCC[NH+](C)C)CCC2)O1 ZINC001063494088 1254350900 /nfs/dbraw/zinc/35/09/00/1254350900.db2.gz AGVAQGLRGHNBOH-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCCC[NH+](C)C)CCC2)O1 ZINC001063494088 1254350910 /nfs/dbraw/zinc/35/09/10/1254350910.db2.gz AGVAQGLRGHNBOH-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[NH+](C)C3CCC3)CCC2)O1 ZINC001063497642 1254353265 /nfs/dbraw/zinc/35/32/65/1254353265.db2.gz YLWCROFCPYHYDB-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[NH+](C)C3CCC3)CCC2)O1 ZINC001063497642 1254353273 /nfs/dbraw/zinc/35/32/73/1254353273.db2.gz YLWCROFCPYHYDB-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)C[N@H+](C)C3CCC3)CCC2)O1 ZINC001063497642 1254353283 /nfs/dbraw/zinc/35/32/83/1254353283.db2.gz YLWCROFCPYHYDB-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)C[N@@H+](C)C3CCC3)CCC2)O1 ZINC001063497642 1254353291 /nfs/dbraw/zinc/35/32/91/1254353291.db2.gz YLWCROFCPYHYDB-GDBMZVCRSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)C34CC[NH+](CC3)C4)CCC2)CC[N@H+]1C ZINC001063731384 1254383613 /nfs/dbraw/zinc/38/36/13/1254383613.db2.gz KODZXZXGCGUSPL-JKSUJKDBSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207983 1254491054 /nfs/dbraw/zinc/49/10/54/1254491054.db2.gz YFSBKMBPCLOPQG-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207983 1254491064 /nfs/dbraw/zinc/49/10/64/1254491064.db2.gz YFSBKMBPCLOPQG-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065207983 1254491076 /nfs/dbraw/zinc/49/10/76/1254491076.db2.gz YFSBKMBPCLOPQG-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065402627 1254527613 /nfs/dbraw/zinc/52/76/13/1254527613.db2.gz XMSLEGHBOCHIQG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066193523 1254600795 /nfs/dbraw/zinc/60/07/95/1254600795.db2.gz GNVYWBCQKNTDSE-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066193523 1254600807 /nfs/dbraw/zinc/60/08/07/1254600807.db2.gz GNVYWBCQKNTDSE-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553933 1254679376 /nfs/dbraw/zinc/67/93/76/1254679376.db2.gz UXGDKIWNCNYLBK-KBAYOESNSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553933 1254679386 /nfs/dbraw/zinc/67/93/86/1254679386.db2.gz UXGDKIWNCNYLBK-KBAYOESNSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001077553933 1254679396 /nfs/dbraw/zinc/67/93/96/1254679396.db2.gz UXGDKIWNCNYLBK-KBAYOESNSA-N 2 1 363.506 0.246 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001077570813 1254709738 /nfs/dbraw/zinc/70/97/38/1254709738.db2.gz ABKVRBJJJFNIQV-DZJNRPSUSA-N 2 1 363.506 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001077570813 1254709758 /nfs/dbraw/zinc/70/97/58/1254709758.db2.gz ABKVRBJJJFNIQV-DZJNRPSUSA-N 2 1 363.506 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001077570813 1254709785 /nfs/dbraw/zinc/70/97/85/1254709785.db2.gz ABKVRBJJJFNIQV-DZJNRPSUSA-N 2 1 363.506 0.337 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676654 1254859787 /nfs/dbraw/zinc/85/97/87/1254859787.db2.gz DMYNNOSXLBOVEZ-SZVBFZGTSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676654 1254859799 /nfs/dbraw/zinc/85/97/99/1254859799.db2.gz DMYNNOSXLBOVEZ-SZVBFZGTSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676654 1254859807 /nfs/dbraw/zinc/85/98/07/1254859807.db2.gz DMYNNOSXLBOVEZ-SZVBFZGTSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077676654 1254859816 /nfs/dbraw/zinc/85/98/16/1254859816.db2.gz DMYNNOSXLBOVEZ-SZVBFZGTSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679287 1254863582 /nfs/dbraw/zinc/86/35/82/1254863582.db2.gz MWCGFZAUGKRICS-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679287 1254863589 /nfs/dbraw/zinc/86/35/89/1254863589.db2.gz MWCGFZAUGKRICS-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679287 1254863597 /nfs/dbraw/zinc/86/35/97/1254863597.db2.gz MWCGFZAUGKRICS-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@H]2O)C1 ZINC001077679287 1254863607 /nfs/dbraw/zinc/86/36/07/1254863607.db2.gz MWCGFZAUGKRICS-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001077680440 1254866900 /nfs/dbraw/zinc/86/69/00/1254866900.db2.gz GQIARBGMGANNLZ-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC001077680440 1254866908 /nfs/dbraw/zinc/86/69/08/1254866908.db2.gz GQIARBGMGANNLZ-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1 ZINC001077680440 1254866917 /nfs/dbraw/zinc/86/69/17/1254866917.db2.gz GQIARBGMGANNLZ-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1 ZINC001077680440 1254866923 /nfs/dbraw/zinc/86/69/23/1254866923.db2.gz GQIARBGMGANNLZ-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cn(C2CCOCC2)nn1 ZINC001330127686 1265947629 /nfs/dbraw/zinc/94/76/29/1265947629.db2.gz MNZGEJCLXNFJSJ-UHFFFAOYSA-N 2 1 364.494 0.728 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cn(C2CCOCC2)nn1 ZINC001330127686 1265947630 /nfs/dbraw/zinc/94/76/30/1265947630.db2.gz MNZGEJCLXNFJSJ-UHFFFAOYSA-N 2 1 364.494 0.728 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175062 1255287575 /nfs/dbraw/zinc/28/75/75/1255287575.db2.gz VSXABJUPTAJLRY-ATZDWAIDSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175062 1255287581 /nfs/dbraw/zinc/28/75/81/1255287581.db2.gz VSXABJUPTAJLRY-ATZDWAIDSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175062 1255287591 /nfs/dbraw/zinc/28/75/91/1255287591.db2.gz VSXABJUPTAJLRY-ATZDWAIDSA-N 2 1 359.470 0.372 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175667 1255287683 /nfs/dbraw/zinc/28/76/83/1255287683.db2.gz GWABKMUCYLTXBJ-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175667 1255287693 /nfs/dbraw/zinc/28/76/93/1255287693.db2.gz GWABKMUCYLTXBJ-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175667 1255287699 /nfs/dbraw/zinc/28/76/99/1255287699.db2.gz GWABKMUCYLTXBJ-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175667 1255287704 /nfs/dbraw/zinc/28/77/04/1255287704.db2.gz GWABKMUCYLTXBJ-KZNAEPCWSA-N 2 1 361.486 0.795 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001078404313 1255408361 /nfs/dbraw/zinc/40/83/61/1255408361.db2.gz XZJRMDAOCWEUCL-YESZJQIVSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001078404313 1255408363 /nfs/dbraw/zinc/40/83/63/1255408363.db2.gz XZJRMDAOCWEUCL-YESZJQIVSA-N 2 1 364.494 0.253 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405132 1255408979 /nfs/dbraw/zinc/40/89/79/1255408979.db2.gz FSCSZMUECCYZQQ-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405132 1255408981 /nfs/dbraw/zinc/40/89/81/1255408981.db2.gz FSCSZMUECCYZQQ-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418589 1255410500 /nfs/dbraw/zinc/41/05/00/1255410500.db2.gz RVEFCCDOCCSQMZ-KBRIMQKVSA-N 2 1 366.462 0.409 20 0 FCADMP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418589 1255410505 /nfs/dbraw/zinc/41/05/05/1255410505.db2.gz RVEFCCDOCCSQMZ-KBRIMQKVSA-N 2 1 366.462 0.409 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1 ZINC001079203697 1255472455 /nfs/dbraw/zinc/47/24/55/1255472455.db2.gz JFTRRRUOKFAFBS-ZWKOTPCHSA-N 2 1 365.449 0.424 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079251300 1255488053 /nfs/dbraw/zinc/48/80/53/1255488053.db2.gz PLBGYKDASZQIGD-DLBZAZTESA-N 2 1 362.474 0.513 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259590 1255492751 /nfs/dbraw/zinc/49/27/51/1255492751.db2.gz IJAJYTHRCSGXQT-FGTMMUONSA-N 2 1 365.518 0.914 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681219 1255570038 /nfs/dbraw/zinc/57/00/38/1255570038.db2.gz ATJDSZAOHICJSR-OAGGEKHMSA-N 2 1 364.490 0.445 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681219 1255570042 /nfs/dbraw/zinc/57/00/42/1255570042.db2.gz ATJDSZAOHICJSR-OAGGEKHMSA-N 2 1 364.490 0.445 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079681219 1255570048 /nfs/dbraw/zinc/57/00/48/1255570048.db2.gz ATJDSZAOHICJSR-OAGGEKHMSA-N 2 1 364.490 0.445 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951616 1255679144 /nfs/dbraw/zinc/67/91/44/1255679144.db2.gz XNCFNPCUFDICJL-BNEJOLLZSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951616 1255679149 /nfs/dbraw/zinc/67/91/49/1255679149.db2.gz XNCFNPCUFDICJL-BNEJOLLZSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951616 1255679154 /nfs/dbraw/zinc/67/91/54/1255679154.db2.gz XNCFNPCUFDICJL-BNEJOLLZSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951616 1255679159 /nfs/dbraw/zinc/67/91/59/1255679159.db2.gz XNCFNPCUFDICJL-BNEJOLLZSA-N 2 1 363.506 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080136238 1255756222 /nfs/dbraw/zinc/75/62/22/1255756222.db2.gz IACHZWXFYXADON-CZUORRHYSA-N 2 1 369.425 0.533 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593118 1255945877 /nfs/dbraw/zinc/94/58/77/1255945877.db2.gz JPHBTWJYRVXDMF-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593118 1255945886 /nfs/dbraw/zinc/94/58/86/1255945886.db2.gz JPHBTWJYRVXDMF-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593038 1255946539 /nfs/dbraw/zinc/94/65/39/1255946539.db2.gz FVCZIBMAKKRUBP-RHSMWYFYSA-N 2 1 371.489 0.793 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593038 1255946551 /nfs/dbraw/zinc/94/65/51/1255946551.db2.gz FVCZIBMAKKRUBP-RHSMWYFYSA-N 2 1 371.489 0.793 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593174 1255947171 /nfs/dbraw/zinc/94/71/71/1255947171.db2.gz MKYFMPUZFNFFFC-JFIYKMOQSA-N 2 1 363.506 0.921 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001080935212 1256103602 /nfs/dbraw/zinc/10/36/02/1256103602.db2.gz NNCKJLHLNYCYJU-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080935212 1256103607 /nfs/dbraw/zinc/10/36/07/1256103607.db2.gz NNCKJLHLNYCYJU-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080935212 1256103621 /nfs/dbraw/zinc/10/36/21/1256103621.db2.gz NNCKJLHLNYCYJU-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)cn1 ZINC001080976896 1256121328 /nfs/dbraw/zinc/12/13/28/1256121328.db2.gz NSYXMWKBBOTBCQ-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)cn1 ZINC001080976896 1256121332 /nfs/dbraw/zinc/12/13/32/1256121332.db2.gz NSYXMWKBBOTBCQ-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)cn1 ZINC001080976896 1256121340 /nfs/dbraw/zinc/12/13/40/1256121340.db2.gz NSYXMWKBBOTBCQ-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)cn1 ZINC001080976896 1256121345 /nfs/dbraw/zinc/12/13/45/1256121345.db2.gz NSYXMWKBBOTBCQ-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979426 1256122351 /nfs/dbraw/zinc/12/23/51/1256122351.db2.gz OPDLMYOXBRATTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979426 1256122356 /nfs/dbraw/zinc/12/23/56/1256122356.db2.gz OPDLMYOXBRATTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979426 1256122361 /nfs/dbraw/zinc/12/23/61/1256122361.db2.gz OPDLMYOXBRATTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979426 1256122371 /nfs/dbraw/zinc/12/23/71/1256122371.db2.gz OPDLMYOXBRATTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979425 1256123503 /nfs/dbraw/zinc/12/35/03/1256123503.db2.gz OPDLMYOXBRATTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979425 1256123508 /nfs/dbraw/zinc/12/35/08/1256123508.db2.gz OPDLMYOXBRATTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979425 1256123512 /nfs/dbraw/zinc/12/35/12/1256123512.db2.gz OPDLMYOXBRATTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)C1 ZINC001080979425 1256123518 /nfs/dbraw/zinc/12/35/18/1256123518.db2.gz OPDLMYOXBRATTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2c2ccccc2)n1 ZINC001081097993 1256176851 /nfs/dbraw/zinc/17/68/51/1256176851.db2.gz PMCUUABUCZLLER-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2c2ccccc2)n1 ZINC001081097993 1256176856 /nfs/dbraw/zinc/17/68/56/1256176856.db2.gz PMCUUABUCZLLER-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1)OC ZINC001081686073 1256335110 /nfs/dbraw/zinc/33/51/10/1256335110.db2.gz DTARNQQGLASMPS-DJIMGWMZSA-N 2 1 367.494 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691891 1256336332 /nfs/dbraw/zinc/33/63/32/1256336332.db2.gz XDMDGVDFMXTQEX-DTZQCDIJSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691891 1256336336 /nfs/dbraw/zinc/33/63/36/1256336336.db2.gz XDMDGVDFMXTQEX-DTZQCDIJSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691891 1256336341 /nfs/dbraw/zinc/33/63/41/1256336341.db2.gz XDMDGVDFMXTQEX-DTZQCDIJSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691891 1256336348 /nfs/dbraw/zinc/33/63/48/1256336348.db2.gz XDMDGVDFMXTQEX-DTZQCDIJSA-N 2 1 365.478 0.466 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2OC)CC[N@H+]1C ZINC001081699407 1256338011 /nfs/dbraw/zinc/33/80/11/1256338011.db2.gz UVKYBLGBXKFSAD-BSDSXHPESA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2OC)CC[NH+]1C ZINC001081699407 1256338013 /nfs/dbraw/zinc/33/80/13/1256338013.db2.gz UVKYBLGBXKFSAD-BSDSXHPESA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2OC)CC[NH+]1C ZINC001081699407 1256338017 /nfs/dbraw/zinc/33/80/17/1256338017.db2.gz UVKYBLGBXKFSAD-BSDSXHPESA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081788498 1256368949 /nfs/dbraw/zinc/36/89/49/1256368949.db2.gz RCEGPYFOFGYXQU-RCCFBDPRSA-N 2 1 363.506 0.676 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081788498 1256368955 /nfs/dbraw/zinc/36/89/55/1256368955.db2.gz RCEGPYFOFGYXQU-RCCFBDPRSA-N 2 1 363.506 0.676 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081788498 1256368960 /nfs/dbraw/zinc/36/89/60/1256368960.db2.gz RCEGPYFOFGYXQU-RCCFBDPRSA-N 2 1 363.506 0.676 20 0 FCADMP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848107 1256409080 /nfs/dbraw/zinc/40/90/80/1256409080.db2.gz MNSWLPXAHDWDIJ-VDHUWJSZSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848107 1256409086 /nfs/dbraw/zinc/40/90/86/1256409086.db2.gz MNSWLPXAHDWDIJ-VDHUWJSZSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848107 1256409091 /nfs/dbraw/zinc/40/90/91/1256409091.db2.gz MNSWLPXAHDWDIJ-VDHUWJSZSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848107 1256409093 /nfs/dbraw/zinc/40/90/93/1256409093.db2.gz MNSWLPXAHDWDIJ-VDHUWJSZSA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894412 1256439031 /nfs/dbraw/zinc/43/90/31/1256439031.db2.gz QYRFYIACQVODMJ-IAGOWNOFSA-N 2 1 361.490 0.406 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894412 1256439034 /nfs/dbraw/zinc/43/90/34/1256439034.db2.gz QYRFYIACQVODMJ-IAGOWNOFSA-N 2 1 361.490 0.406 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948205 1256467312 /nfs/dbraw/zinc/46/73/12/1256467312.db2.gz OCUHBULLTIJQBV-QZTJIDSGSA-N 2 1 368.441 0.740 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082134042 1256551520 /nfs/dbraw/zinc/55/15/20/1256551520.db2.gz YMSZJMPWKUMGQR-KBAYOESNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082134042 1256551526 /nfs/dbraw/zinc/55/15/26/1256551526.db2.gz YMSZJMPWKUMGQR-KBAYOESNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082134042 1256551534 /nfs/dbraw/zinc/55/15/34/1256551534.db2.gz YMSZJMPWKUMGQR-KBAYOESNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082134042 1256551542 /nfs/dbraw/zinc/55/15/42/1256551542.db2.gz YMSZJMPWKUMGQR-KBAYOESNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371213 1256720581 /nfs/dbraw/zinc/72/05/81/1256720581.db2.gz XOIZRHIQCDIJEK-IPMKNSEASA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371213 1256720585 /nfs/dbraw/zinc/72/05/85/1256720585.db2.gz XOIZRHIQCDIJEK-IPMKNSEASA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371755 1256722755 /nfs/dbraw/zinc/72/27/55/1256722755.db2.gz ZGJVSCXLFXZUKG-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371755 1256722760 /nfs/dbraw/zinc/72/27/60/1256722760.db2.gz ZGJVSCXLFXZUKG-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082458097 1256770420 /nfs/dbraw/zinc/77/04/20/1256770420.db2.gz XVZHYZYCWYYTRR-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082458097 1256770421 /nfs/dbraw/zinc/77/04/21/1256770421.db2.gz XVZHYZYCWYYTRR-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082457944 1256770701 /nfs/dbraw/zinc/77/07/01/1256770701.db2.gz OXVWTFHGEBTFMX-XYPHTWIQSA-N 2 1 360.458 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082457944 1256770706 /nfs/dbraw/zinc/77/07/06/1256770706.db2.gz OXVWTFHGEBTFMX-XYPHTWIQSA-N 2 1 360.458 0.053 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592458 1266065990 /nfs/dbraw/zinc/06/59/90/1266065990.db2.gz QFCYSTMBSHPJAS-AWEZNQCLSA-N 2 1 361.494 0.101 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592458 1266065999 /nfs/dbraw/zinc/06/59/99/1266065999.db2.gz QFCYSTMBSHPJAS-AWEZNQCLSA-N 2 1 361.494 0.101 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001082557171 1256852118 /nfs/dbraw/zinc/85/21/18/1256852118.db2.gz RBRZHWKVUCZMIB-HUUCEWRRSA-N 2 1 363.510 0.894 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)o1 ZINC001082557839 1256855551 /nfs/dbraw/zinc/85/55/51/1256855551.db2.gz JBRUCSRYCKKOPE-KBRIMQKVSA-N 2 1 360.462 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082592645 1256905016 /nfs/dbraw/zinc/90/50/16/1256905016.db2.gz PVWRZQKFGQETLR-GDBMZVCRSA-N 2 1 364.494 0.110 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703306 1256995096 /nfs/dbraw/zinc/99/50/96/1256995096.db2.gz KTLQULYDNYHOKH-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703306 1256995100 /nfs/dbraw/zinc/99/51/00/1256995100.db2.gz KTLQULYDNYHOKH-ZTFGCOKTSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082719756 1257009080 /nfs/dbraw/zinc/00/90/80/1257009080.db2.gz JQRAWSLNUQBCBP-RDTXWAMCSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082719491 1257009975 /nfs/dbraw/zinc/00/99/75/1257009975.db2.gz NBHBLOPRYYSWHG-UKRRQHHQSA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082741251 1257020336 /nfs/dbraw/zinc/02/03/36/1257020336.db2.gz UQQQXNGIOAMGLD-QLFBSQMISA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082741251 1257020346 /nfs/dbraw/zinc/02/03/46/1257020346.db2.gz UQQQXNGIOAMGLD-QLFBSQMISA-N 2 1 362.478 0.229 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742890 1257023746 /nfs/dbraw/zinc/02/37/46/1257023746.db2.gz VROMCIAGAYUWSP-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742890 1257023753 /nfs/dbraw/zinc/02/37/53/1257023753.db2.gz VROMCIAGAYUWSP-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082826941 1257084104 /nfs/dbraw/zinc/08/41/04/1257084104.db2.gz SKFKAWQSEBLLMC-RHSMWYFYSA-N 2 1 366.429 0.609 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082920804 1257145212 /nfs/dbraw/zinc/14/52/12/1257145212.db2.gz FYTYLZICOHUEFB-VNHYZAJKSA-N 2 1 371.445 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082920804 1257145215 /nfs/dbraw/zinc/14/52/15/1257145215.db2.gz FYTYLZICOHUEFB-VNHYZAJKSA-N 2 1 371.445 0.415 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083080233 1257278159 /nfs/dbraw/zinc/27/81/59/1257278159.db2.gz IVIVXXZWCKLYKZ-FGTMMUONSA-N 2 1 361.490 0.668 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083080233 1257278161 /nfs/dbraw/zinc/27/81/61/1257278161.db2.gz IVIVXXZWCKLYKZ-FGTMMUONSA-N 2 1 361.490 0.668 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083080233 1257278163 /nfs/dbraw/zinc/27/81/63/1257278163.db2.gz IVIVXXZWCKLYKZ-FGTMMUONSA-N 2 1 361.490 0.668 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083080233 1257278165 /nfs/dbraw/zinc/27/81/65/1257278165.db2.gz IVIVXXZWCKLYKZ-FGTMMUONSA-N 2 1 361.490 0.668 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084701 1257285810 /nfs/dbraw/zinc/28/58/10/1257285810.db2.gz ACFDSSGRGDEFIN-HYVNUMGLSA-N 2 1 365.478 0.005 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001521266395 1266106981 /nfs/dbraw/zinc/10/69/81/1266106981.db2.gz NGHCLFHTDBFUNT-HYVNUMGLSA-N 2 1 358.490 0.549 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001521424493 1266119707 /nfs/dbraw/zinc/11/97/07/1266119707.db2.gz GLFAYCOZMJPMHN-FMKPAKJESA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777576 1257517975 /nfs/dbraw/zinc/51/79/75/1257517975.db2.gz CFMNJFUOXVLAHS-RVKKMQEKSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777576 1257517978 /nfs/dbraw/zinc/51/79/78/1257517978.db2.gz CFMNJFUOXVLAHS-RVKKMQEKSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777576 1257517983 /nfs/dbraw/zinc/51/79/83/1257517983.db2.gz CFMNJFUOXVLAHS-RVKKMQEKSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777576 1257517987 /nfs/dbraw/zinc/51/79/87/1257517987.db2.gz CFMNJFUOXVLAHS-RVKKMQEKSA-N 2 1 367.469 0.257 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781325 1257525332 /nfs/dbraw/zinc/52/53/32/1257525332.db2.gz CDJFRUZAYHDSMD-IPELMVKDSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781325 1257525334 /nfs/dbraw/zinc/52/53/34/1257525334.db2.gz CDJFRUZAYHDSMD-IPELMVKDSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781325 1257525336 /nfs/dbraw/zinc/52/53/36/1257525336.db2.gz CDJFRUZAYHDSMD-IPELMVKDSA-N 2 1 361.486 0.741 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001083783216 1257529756 /nfs/dbraw/zinc/52/97/56/1257529756.db2.gz GDOXYBAKOWOOHW-XYPHTWIQSA-N 2 1 364.446 0.082 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001083783216 1257529760 /nfs/dbraw/zinc/52/97/60/1257529760.db2.gz GDOXYBAKOWOOHW-XYPHTWIQSA-N 2 1 364.446 0.082 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083833732 1257587689 /nfs/dbraw/zinc/58/76/89/1257587689.db2.gz RQHFQBXRAFDDBU-QYZOEREBSA-N 2 1 367.534 0.821 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001521502802 1266128665 /nfs/dbraw/zinc/12/86/65/1266128665.db2.gz BNDYZPYEHIJOJW-FQEVSTJZSA-N 2 1 360.502 0.772 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCOC4)C[C@H]32)n1 ZINC001084351864 1258044300 /nfs/dbraw/zinc/04/43/00/1258044300.db2.gz BWHUZXHOSZOSBD-LZLYRXPVSA-N 2 1 361.490 0.628 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)CC1 ZINC001084352215 1258044308 /nfs/dbraw/zinc/04/43/08/1258044308.db2.gz YLLRWCVOVALXMO-MKXGPGLRSA-N 2 1 365.518 0.648 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084522205 1258149713 /nfs/dbraw/zinc/14/97/13/1258149713.db2.gz PRWLLXGHLYSNPE-GVDBMIGSSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084522205 1258149717 /nfs/dbraw/zinc/14/97/17/1258149717.db2.gz PRWLLXGHLYSNPE-GVDBMIGSSA-N 2 1 359.474 0.641 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661694 1258225792 /nfs/dbraw/zinc/22/57/92/1258225792.db2.gz FGVDSUVKDXWUKS-CGTJXYLNSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661694 1258225794 /nfs/dbraw/zinc/22/57/94/1258225794.db2.gz FGVDSUVKDXWUKS-CGTJXYLNSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661694 1258225802 /nfs/dbraw/zinc/22/58/02/1258225802.db2.gz FGVDSUVKDXWUKS-CGTJXYLNSA-N 2 1 358.486 0.760 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084664034 1258226426 /nfs/dbraw/zinc/22/64/26/1258226426.db2.gz CBTMGJQEJAKKDC-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084664034 1258226433 /nfs/dbraw/zinc/22/64/33/1258226433.db2.gz CBTMGJQEJAKKDC-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084664034 1258226438 /nfs/dbraw/zinc/22/64/38/1258226438.db2.gz CBTMGJQEJAKKDC-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084664034 1258226443 /nfs/dbraw/zinc/22/64/43/1258226443.db2.gz CBTMGJQEJAKKDC-HZPDHXFCSA-N 2 1 363.506 0.276 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702182 1258250675 /nfs/dbraw/zinc/25/06/75/1258250675.db2.gz LKVAJPDFBRMYEP-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702182 1258250680 /nfs/dbraw/zinc/25/06/80/1258250680.db2.gz LKVAJPDFBRMYEP-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001084702608 1258252004 /nfs/dbraw/zinc/25/20/04/1258252004.db2.gz HZDQUMDNWBZUJW-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnn(CC[NH+](C)C)c4)[C@@H]3C2)cn1 ZINC001084713950 1258260175 /nfs/dbraw/zinc/26/01/75/1258260175.db2.gz GUGHITDXSJIWKM-SJLPKXTDSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnn(CC[NH+](C)C)c4)[C@@H]3C2)cn1 ZINC001084713950 1258260179 /nfs/dbraw/zinc/26/01/79/1258260179.db2.gz GUGHITDXSJIWKM-SJLPKXTDSA-N 2 1 371.489 0.525 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001084751650 1258289323 /nfs/dbraw/zinc/28/93/23/1258289323.db2.gz VTYORLXWVPGUPI-QZTJIDSGSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001084751650 1258289326 /nfs/dbraw/zinc/28/93/26/1258289326.db2.gz VTYORLXWVPGUPI-QZTJIDSGSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778222 1258321209 /nfs/dbraw/zinc/32/12/09/1258321209.db2.gz MAKNSKXJNMJTRX-BRWVUGGUSA-N 2 1 360.502 0.624 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778222 1258321218 /nfs/dbraw/zinc/32/12/18/1258321218.db2.gz MAKNSKXJNMJTRX-BRWVUGGUSA-N 2 1 360.502 0.624 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830033 1258375240 /nfs/dbraw/zinc/37/52/40/1258375240.db2.gz HYXMHGQOBYIXKF-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830033 1258375246 /nfs/dbraw/zinc/37/52/46/1258375246.db2.gz HYXMHGQOBYIXKF-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001084830033 1258375253 /nfs/dbraw/zinc/37/52/53/1258375253.db2.gz HYXMHGQOBYIXKF-KZNAEPCWSA-N 2 1 356.470 0.770 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001084830205 1258375694 /nfs/dbraw/zinc/37/56/94/1258375694.db2.gz OJMCQQNHPPSNKM-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001084830205 1258375700 /nfs/dbraw/zinc/37/57/00/1258375700.db2.gz OJMCQQNHPPSNKM-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC001084830205 1258375708 /nfs/dbraw/zinc/37/57/08/1258375708.db2.gz OJMCQQNHPPSNKM-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001084830205 1258375715 /nfs/dbraw/zinc/37/57/15/1258375715.db2.gz OJMCQQNHPPSNKM-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084834321 1258380894 /nfs/dbraw/zinc/38/08/94/1258380894.db2.gz VMBMMRLDKSPCCK-RCCFBDPRSA-N 2 1 361.490 0.384 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941518 1258454961 /nfs/dbraw/zinc/45/49/61/1258454961.db2.gz NATUKMANRSMVDS-NXHRZFHOSA-N 2 1 358.490 0.580 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941518 1258454964 /nfs/dbraw/zinc/45/49/64/1258454964.db2.gz NATUKMANRSMVDS-NXHRZFHOSA-N 2 1 358.490 0.580 20 0 FCADMP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957566 1258469769 /nfs/dbraw/zinc/46/97/69/1258469769.db2.gz GZYUDAPWBQWGHT-PVAVHDDUSA-N 2 1 364.490 0.038 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957566 1258469771 /nfs/dbraw/zinc/46/97/71/1258469771.db2.gz GZYUDAPWBQWGHT-PVAVHDDUSA-N 2 1 364.490 0.038 20 0 FCADMP NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957566 1258469774 /nfs/dbraw/zinc/46/97/74/1258469774.db2.gz GZYUDAPWBQWGHT-PVAVHDDUSA-N 2 1 364.490 0.038 20 0 FCADMP NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957566 1258469779 /nfs/dbraw/zinc/46/97/79/1258469779.db2.gz GZYUDAPWBQWGHT-PVAVHDDUSA-N 2 1 364.490 0.038 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998149 1258505996 /nfs/dbraw/zinc/50/59/96/1258505996.db2.gz WRSFPAALCXCRBD-AYBZRNKSSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998149 1258506003 /nfs/dbraw/zinc/50/60/03/1258506003.db2.gz WRSFPAALCXCRBD-AYBZRNKSSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@H+](CCn3cccn3)[C@H]2C1 ZINC001085056728 1258551092 /nfs/dbraw/zinc/55/10/92/1258551092.db2.gz BEJFUKVEZJWVEU-MSOLQXFVSA-N 2 1 361.490 0.528 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@@H+](CCn3cccn3)[C@H]2C1 ZINC001085056728 1258551094 /nfs/dbraw/zinc/55/10/94/1258551094.db2.gz BEJFUKVEZJWVEU-MSOLQXFVSA-N 2 1 361.490 0.528 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)C1CC1 ZINC001085076070 1258571990 /nfs/dbraw/zinc/57/19/90/1258571990.db2.gz IDJZLKKGPDLUGW-WBVHZDCISA-N 2 1 360.502 0.626 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)cc1=O ZINC001085076096 1258572760 /nfs/dbraw/zinc/57/27/60/1258572760.db2.gz JNLCJQWCTISKRG-MSOLQXFVSA-N 2 1 370.497 0.904 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093232 1258588581 /nfs/dbraw/zinc/58/85/81/1258588581.db2.gz NLZRPOMFCPXSKU-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093232 1258588583 /nfs/dbraw/zinc/58/85/83/1258588583.db2.gz NLZRPOMFCPXSKU-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085093232 1258588586 /nfs/dbraw/zinc/58/85/86/1258588586.db2.gz NLZRPOMFCPXSKU-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085093232 1258588587 /nfs/dbraw/zinc/58/85/87/1258588587.db2.gz NLZRPOMFCPXSKU-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001085159212 1258611075 /nfs/dbraw/zinc/61/10/75/1258611075.db2.gz LCRRPHWMQSMJTJ-KURKYZTESA-N 2 1 363.506 0.848 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001085159212 1258611081 /nfs/dbraw/zinc/61/10/81/1258611081.db2.gz LCRRPHWMQSMJTJ-KURKYZTESA-N 2 1 363.506 0.848 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199831 1258722559 /nfs/dbraw/zinc/72/25/59/1258722559.db2.gz DTULGIFQTFYFKV-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199831 1258722566 /nfs/dbraw/zinc/72/25/66/1258722566.db2.gz DTULGIFQTFYFKV-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199831 1258722572 /nfs/dbraw/zinc/72/25/72/1258722572.db2.gz DTULGIFQTFYFKV-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088201731 1258723985 /nfs/dbraw/zinc/72/39/85/1258723985.db2.gz RIYXXBFQRJTNNN-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088201731 1258723994 /nfs/dbraw/zinc/72/39/94/1258723994.db2.gz RIYXXBFQRJTNNN-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207982 1258730304 /nfs/dbraw/zinc/73/03/04/1258730304.db2.gz GIZMWFLJERFIQA-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207982 1258730306 /nfs/dbraw/zinc/73/03/06/1258730306.db2.gz GIZMWFLJERFIQA-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207982 1258730310 /nfs/dbraw/zinc/73/03/10/1258730310.db2.gz GIZMWFLJERFIQA-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207982 1258730312 /nfs/dbraw/zinc/73/03/12/1258730312.db2.gz GIZMWFLJERFIQA-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658513 1258809926 /nfs/dbraw/zinc/80/99/26/1258809926.db2.gz XYVCWSIYKLOSGU-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658513 1258809933 /nfs/dbraw/zinc/80/99/33/1258809933.db2.gz XYVCWSIYKLOSGU-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092658513 1258809939 /nfs/dbraw/zinc/80/99/39/1258809939.db2.gz XYVCWSIYKLOSGU-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671552 1258812362 /nfs/dbraw/zinc/81/23/62/1258812362.db2.gz LLKZNUDFWMIYLE-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671552 1258812369 /nfs/dbraw/zinc/81/23/69/1258812369.db2.gz LLKZNUDFWMIYLE-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671552 1258812375 /nfs/dbraw/zinc/81/23/75/1258812375.db2.gz LLKZNUDFWMIYLE-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092671552 1258812379 /nfs/dbraw/zinc/81/23/79/1258812379.db2.gz LLKZNUDFWMIYLE-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724166 1258817907 /nfs/dbraw/zinc/81/79/07/1258817907.db2.gz HCLSCHVCCAQFRJ-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724166 1258817919 /nfs/dbraw/zinc/81/79/19/1258817919.db2.gz HCLSCHVCCAQFRJ-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724166 1258817922 /nfs/dbraw/zinc/81/79/22/1258817922.db2.gz HCLSCHVCCAQFRJ-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724166 1258817934 /nfs/dbraw/zinc/81/79/34/1258817934.db2.gz HCLSCHVCCAQFRJ-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720965 1258819122 /nfs/dbraw/zinc/81/91/22/1258819122.db2.gz ARRSQVJXRGJUCJ-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782003 1258844789 /nfs/dbraw/zinc/84/47/89/1258844789.db2.gz AKVXRASAMHSCEX-UKRRQHHQSA-N 2 1 355.442 0.911 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816719 1258852547 /nfs/dbraw/zinc/85/25/47/1258852547.db2.gz FLVIICYTYBRSBO-ZIAGYGMSSA-N 2 1 356.430 0.311 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104372052 1258917413 /nfs/dbraw/zinc/91/74/13/1258917413.db2.gz QALILGHGVASPRG-ZIAGYGMSSA-N 2 1 365.478 0.512 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)C1 ZINC001106577914 1258925332 /nfs/dbraw/zinc/92/53/32/1258925332.db2.gz VMGOUXCGJTUBMM-KURKYZTESA-N 2 1 363.506 0.676 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)C1 ZINC001106577914 1258925337 /nfs/dbraw/zinc/92/53/37/1258925337.db2.gz VMGOUXCGJTUBMM-KURKYZTESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106581401 1258926293 /nfs/dbraw/zinc/92/62/93/1258926293.db2.gz BIWKLHUVSDCIGQ-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)CC2 ZINC001106591172 1258927399 /nfs/dbraw/zinc/92/73/99/1258927399.db2.gz QKPWLTXEJCWUHV-DJIMGWMZSA-N 2 1 371.489 0.730 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)C1 ZINC001106666884 1258937133 /nfs/dbraw/zinc/93/71/33/1258937133.db2.gz YEIWEUPTZQKJKE-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106764854 1258957050 /nfs/dbraw/zinc/95/70/50/1258957050.db2.gz ALWAGPCTFKTBEQ-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106767815 1258958911 /nfs/dbraw/zinc/95/89/11/1258958911.db2.gz UZIZZTCQQDWUIR-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP CCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)no1 ZINC001106878133 1258986120 /nfs/dbraw/zinc/98/61/20/1258986120.db2.gz GTFILKHEENDVKP-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)on1 ZINC001106983110 1259010752 /nfs/dbraw/zinc/01/07/52/1259010752.db2.gz UOIVLVXPYVUESI-VHDGCEQUSA-N 2 1 363.462 0.557 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107036157 1259022308 /nfs/dbraw/zinc/02/23/08/1259022308.db2.gz FXUGGFIYWQLUNS-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042427 1259024433 /nfs/dbraw/zinc/02/44/33/1259024433.db2.gz MFVFOHKTPWXXBW-IXDOHACOSA-N 2 1 370.538 0.552 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107342937 1259056994 /nfs/dbraw/zinc/05/69/94/1259056994.db2.gz BNUZBRUFOOEBJH-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107342937 1259056997 /nfs/dbraw/zinc/05/69/97/1259056997.db2.gz BNUZBRUFOOEBJH-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107342937 1259057000 /nfs/dbraw/zinc/05/70/00/1259057000.db2.gz BNUZBRUFOOEBJH-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107342937 1259057005 /nfs/dbraw/zinc/05/70/05/1259057005.db2.gz BNUZBRUFOOEBJH-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439042 1259087834 /nfs/dbraw/zinc/08/78/34/1259087834.db2.gz PAGKAMNSKRKPRJ-ZIFCJYIRSA-N 2 1 360.506 0.979 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)CC1 ZINC001107521147 1259107573 /nfs/dbraw/zinc/10/75/73/1259107573.db2.gz OLWXAWMJSROUKZ-VQIMIIECSA-N 2 1 362.518 0.921 20 0 FCADMP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578802 1259123358 /nfs/dbraw/zinc/12/33/58/1259123358.db2.gz APBRCVLJGDERNB-VQIMIIECSA-N 2 1 366.506 0.335 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578802 1259123361 /nfs/dbraw/zinc/12/33/61/1259123361.db2.gz APBRCVLJGDERNB-VQIMIIECSA-N 2 1 366.506 0.335 20 0 FCADMP Cn1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107609441 1259131674 /nfs/dbraw/zinc/13/16/74/1259131674.db2.gz SDXAHFSJPOFULN-SJLPKXTDSA-N 2 1 364.494 0.254 20 0 FCADMP Cn1ncc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107609441 1259131676 /nfs/dbraw/zinc/13/16/76/1259131676.db2.gz SDXAHFSJPOFULN-SJLPKXTDSA-N 2 1 364.494 0.254 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107609147 1259131844 /nfs/dbraw/zinc/13/18/44/1259131844.db2.gz FHRSIEJTPREZFV-VQIMIIECSA-N 2 1 366.506 0.204 20 0 FCADMP COCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546230 1259158046 /nfs/dbraw/zinc/15/80/46/1259158046.db2.gz RIBWXYQBRVIBRD-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP COCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546230 1259158051 /nfs/dbraw/zinc/15/80/51/1259158051.db2.gz RIBWXYQBRVIBRD-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653233 1259183962 /nfs/dbraw/zinc/18/39/62/1259183962.db2.gz OLJNXENHEZLHTG-RRFJBIMHSA-N 2 1 364.494 0.837 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001127707147 1259184068 /nfs/dbraw/zinc/18/40/68/1259184068.db2.gz VVGNPOYWSNNUNL-UONOGXRCSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC001127653063 1259184841 /nfs/dbraw/zinc/18/48/41/1259184841.db2.gz KDYNIDCVLWUGSI-DJIMGWMZSA-N 2 1 367.465 0.749 20 0 FCADMP Cc1cccc(C)c1-n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659565 1259185076 /nfs/dbraw/zinc/18/50/76/1259185076.db2.gz GAYPFLFPXMOVPQ-HZPDHXFCSA-N 2 1 371.489 0.825 20 0 FCADMP Cc1cccc(C)c1-n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659565 1259185083 /nfs/dbraw/zinc/18/50/83/1259185083.db2.gz GAYPFLFPXMOVPQ-HZPDHXFCSA-N 2 1 371.489 0.825 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC001331590616 1266244830 /nfs/dbraw/zinc/24/48/30/1266244830.db2.gz QVCVLURFKPFUOE-YESZJQIVSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129032329 1259294505 /nfs/dbraw/zinc/29/45/05/1259294505.db2.gz NHWSRWLYIOQJQA-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049019 1259299302 /nfs/dbraw/zinc/29/93/02/1259299302.db2.gz OKLSAVQGIQACEP-XHSDSOJGSA-N 2 1 364.494 0.265 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089640 1259309769 /nfs/dbraw/zinc/30/97/69/1259309769.db2.gz MNBHHYAAEUGORT-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089640 1259309778 /nfs/dbraw/zinc/30/97/78/1259309778.db2.gz MNBHHYAAEUGORT-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1)OC ZINC001129210682 1259346476 /nfs/dbraw/zinc/34/64/76/1259346476.db2.gz TXAUBALYSXSHNS-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228313 1259349970 /nfs/dbraw/zinc/34/99/70/1259349970.db2.gz NFWBRGTVCWSEAX-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COC(=O)C1CCN(c2ccnc(NCC[NH+]3CCC([NH3+])CC3)n2)CC1 ZINC001161870363 1259386871 /nfs/dbraw/zinc/38/68/71/1259386871.db2.gz HQIKYBDTLYVFPK-UHFFFAOYSA-N 2 1 362.478 0.701 20 0 FCADMP CC(C)COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787192 1259420987 /nfs/dbraw/zinc/42/09/87/1259420987.db2.gz OEEWPNHLMDECBX-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CC(C)COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787192 1259420990 /nfs/dbraw/zinc/42/09/90/1259420990.db2.gz OEEWPNHLMDECBX-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001331655464 1266259741 /nfs/dbraw/zinc/25/97/41/1266259741.db2.gz BWFHGISVELPKLJ-HDICACEKSA-N 2 1 358.486 0.883 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459983 1259513904 /nfs/dbraw/zinc/51/39/04/1259513904.db2.gz CBKCMQUWWBFKGQ-BRWVUGGUSA-N 2 1 369.506 0.197 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461137 1259515151 /nfs/dbraw/zinc/51/51/51/1259515151.db2.gz RLEWNKDDRMDIST-IAGOWNOFSA-N 2 1 371.522 0.587 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216230048 1259537093 /nfs/dbraw/zinc/53/70/93/1259537093.db2.gz WLZKGGWXBIOKCQ-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001331695325 1266266678 /nfs/dbraw/zinc/26/66/78/1266266678.db2.gz QSJGBJDGYXGPQX-ZWKOTPCHSA-N 2 1 373.501 0.892 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001331695325 1266266695 /nfs/dbraw/zinc/26/66/95/1266266695.db2.gz QSJGBJDGYXGPQX-ZWKOTPCHSA-N 2 1 373.501 0.892 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001331695325 1266266705 /nfs/dbraw/zinc/26/67/05/1266266705.db2.gz QSJGBJDGYXGPQX-ZWKOTPCHSA-N 2 1 373.501 0.892 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001331695325 1266266713 /nfs/dbraw/zinc/26/67/13/1266266713.db2.gz QSJGBJDGYXGPQX-ZWKOTPCHSA-N 2 1 373.501 0.892 20 0 FCADMP c1ccc(C[NH+]2CCC(C[NH+]3CCNCC[NH2+]CCNCC3)CC2)cc1 ZINC001235870158 1259582924 /nfs/dbraw/zinc/58/29/24/1259582924.db2.gz OITFHUJQDKFIKY-UHFFFAOYSA-N 3 1 359.562 0.983 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]1C2 ZINC001236025988 1259586891 /nfs/dbraw/zinc/58/68/91/1259586891.db2.gz HEDCFPAMRJQXNG-OLMMMNRUSA-N 2 1 368.441 0.697 20 0 FCADMP c1c(C[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)nc2n1CCNC2 ZINC001236398848 1259590954 /nfs/dbraw/zinc/59/09/54/1259590954.db2.gz KDCBQZYLAMEQMF-UHFFFAOYSA-N 2 1 362.522 0.120 20 0 FCADMP COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cn3c(n2)C[NH2+]CC3)c1 ZINC001237443658 1259597115 /nfs/dbraw/zinc/59/71/15/1259597115.db2.gz MDNUYNQGMBCMQZ-QGZVFWFLSA-N 2 1 355.442 0.919 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333769 1259609544 /nfs/dbraw/zinc/60/95/44/1259609544.db2.gz NOXDXHOLCALAOH-IAGOWNOFSA-N 2 1 368.522 0.801 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](Cc1c(N)ccnc1F)CC2 ZINC001238154699 1259614316 /nfs/dbraw/zinc/61/43/16/1259614316.db2.gz KMTQAKYXHIBKDZ-UHFFFAOYSA-N 2 1 362.409 0.641 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](Cc1c(N)ccnc1F)CC2 ZINC001238154699 1259614328 /nfs/dbraw/zinc/61/43/28/1259614328.db2.gz KMTQAKYXHIBKDZ-UHFFFAOYSA-N 2 1 362.409 0.641 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC001335350070 1259619914 /nfs/dbraw/zinc/61/99/14/1259619914.db2.gz BNXKPVBJRDELQS-HUUCEWRRSA-N 2 1 353.511 0.603 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245978753 1259641128 /nfs/dbraw/zinc/64/11/28/1259641128.db2.gz DYGFJGJUUSMHHU-FHLIZLRMSA-N 2 1 369.456 0.944 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246019839 1259643428 /nfs/dbraw/zinc/64/34/28/1259643428.db2.gz ATVUHFQWCFIMRS-ZWKOTPCHSA-N 3 1 369.456 0.898 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOCC2(CC[NH2+]CC2)C1 ZINC001246019839 1259643441 /nfs/dbraw/zinc/64/34/41/1259643441.db2.gz ATVUHFQWCFIMRS-ZWKOTPCHSA-N 2 1 369.456 0.898 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246004278 1259643565 /nfs/dbraw/zinc/64/35/65/1259643565.db2.gz KMLAXOUMDFDLOS-NZSAHSFTSA-N 2 1 368.472 0.611 20 0 FCADMP CCOC(=O)C[C@@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246006522 1259644400 /nfs/dbraw/zinc/64/44/00/1259644400.db2.gz WUVMSVFFFLOVSV-IPMKNSEASA-N 2 1 363.502 0.828 20 0 FCADMP COCCc1ccc(OC[C@@H](O)CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246022366 1259644716 /nfs/dbraw/zinc/64/47/16/1259644716.db2.gz JLVOLOWBZYXWKS-IHPCNDPISA-N 2 1 363.502 0.641 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@]1(O)CCC[NH2+]C1)C2 ZINC001246037377 1259647000 /nfs/dbraw/zinc/64/70/00/1259647000.db2.gz SEYYOBCCIWMQQD-FFZOFVMBSA-N 2 1 365.518 0.746 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@]1(O)CCCNC1)C2 ZINC001246037377 1259647011 /nfs/dbraw/zinc/64/70/11/1259647011.db2.gz SEYYOBCCIWMQQD-FFZOFVMBSA-N 2 1 365.518 0.746 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@]1(O)CCCNC1)C2 ZINC001246037377 1259647021 /nfs/dbraw/zinc/64/70/21/1259647021.db2.gz SEYYOBCCIWMQQD-FFZOFVMBSA-N 2 1 365.518 0.746 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@@]4(C3)C[NH2+]CCOC4)C[C@H](C1)N2 ZINC001246147308 1259647514 /nfs/dbraw/zinc/64/75/14/1259647514.db2.gz XOPQFYHVKARHLE-NJGHQYNVSA-N 2 1 367.490 0.043 20 0 FCADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)C[NH2+]1 ZINC001246156085 1259649821 /nfs/dbraw/zinc/64/98/21/1259649821.db2.gz HISHTCSXIGWNEY-BHIYHBOVSA-N 2 1 374.529 0.768 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358923 1259653074 /nfs/dbraw/zinc/65/30/74/1259653074.db2.gz RJUDIMRHDKWBFK-UONOGXRCSA-N 2 1 362.478 0.334 20 0 FCADMP COc1ccc(CN2CC[C@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)CC2=O)cc1 ZINC001246624964 1259657332 /nfs/dbraw/zinc/65/73/32/1259657332.db2.gz DUQNNUOGXJPDCD-FXAWDEMLSA-N 2 1 358.486 0.824 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605572 1259658065 /nfs/dbraw/zinc/65/80/65/1259658065.db2.gz VGBGVZWWVKNHLU-HRCADAONSA-N 2 1 367.490 0.677 20 0 FCADMP Cn1ncc2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2COc1cccnc1 ZINC001246696260 1259661084 /nfs/dbraw/zinc/66/10/84/1259661084.db2.gz QYKFFRFVHZHURK-HOTGVXAUSA-N 2 1 368.485 0.887 20 0 FCADMP O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711751 1259666024 /nfs/dbraw/zinc/66/60/24/1259666024.db2.gz WYFGJFAWRHXFAP-JKSUJKDBSA-N 2 1 358.490 0.031 20 0 FCADMP O=C([C@H]1Cn2nccc2C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724845 1259670904 /nfs/dbraw/zinc/67/09/04/1259670904.db2.gz ZHFZMKNCFLGZPC-HZPDHXFCSA-N 2 1 358.490 0.031 20 0 FCADMP O=C([C@H]1Cn2nccc2C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724845 1259670912 /nfs/dbraw/zinc/67/09/12/1259670912.db2.gz ZHFZMKNCFLGZPC-HZPDHXFCSA-N 2 1 358.490 0.031 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246728052 1259671212 /nfs/dbraw/zinc/67/12/12/1259671212.db2.gz JZDYRDZVTRPEQR-JWTNVVGKSA-N 2 1 363.550 0.440 20 0 FCADMP c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246737422 1259672011 /nfs/dbraw/zinc/67/20/11/1259672011.db2.gz PYAANVAMQVMTNP-FCGDIQPGSA-N 2 1 358.486 0.924 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)c1 ZINC001246735563 1259672414 /nfs/dbraw/zinc/67/24/14/1259672414.db2.gz UPIMBCFDTJZWJY-IPMKNSEASA-N 2 1 357.502 0.451 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737570 1259672456 /nfs/dbraw/zinc/67/24/56/1259672456.db2.gz JLWGXBMQIBGTOX-XWSJACJDSA-N 2 1 373.549 0.545 20 0 FCADMP O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246734510 1259673403 /nfs/dbraw/zinc/67/34/03/1259673403.db2.gz OILJEHDYBBKLDN-DZOHQFGASA-N 2 1 374.485 0.612 20 0 FCADMP CC[C@H]1[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246733619 1259673725 /nfs/dbraw/zinc/67/37/25/1259673725.db2.gz LHUVMFJNKUOAQA-HLIPFELVSA-N 2 1 364.534 0.962 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NCC1CC1 ZINC001246738789 1259674576 /nfs/dbraw/zinc/67/45/76/1259674576.db2.gz GNAOHJLPYBTWQJ-TVFCKZIOSA-N 2 1 362.518 0.191 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21)c1ccnnc1 ZINC001246739810 1259675708 /nfs/dbraw/zinc/67/57/08/1259675708.db2.gz LAOGLBRXZRNSCQ-RVMBUKDFSA-N 2 1 371.485 0.826 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)NC1CCC1 ZINC001246745681 1259676924 /nfs/dbraw/zinc/67/69/24/1259676924.db2.gz GSMGIEGDJSBHON-LMSBXDPUSA-N 2 1 362.518 0.334 20 0 FCADMP O=C(C[C@H]1OC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NC1CCC1 ZINC001246749652 1259680496 /nfs/dbraw/zinc/68/04/96/1259680496.db2.gz REGSWBIUVPOGEQ-BZZMCLGOSA-N 2 1 362.518 0.476 20 0 FCADMP c1cc(COC[C@]23COC[C@H]2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)ccn1 ZINC001246755050 1259682248 /nfs/dbraw/zinc/68/22/48/1259682248.db2.gz SMBSTUCZTPOHSN-GUDVDZBRSA-N 2 1 358.486 0.641 20 0 FCADMP c1cnc(N2CCC[C@@]3(C2)C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756214 1259683031 /nfs/dbraw/zinc/68/30/31/1259683031.db2.gz MUQJVBUYKIKVMP-APWZRJJASA-N 2 1 358.490 0.242 20 0 FCADMP O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765382 1259684528 /nfs/dbraw/zinc/68/45/28/1259684528.db2.gz JMQLBAYIUXWIOH-MAUKXSAKSA-N 2 1 356.474 0.390 20 0 FCADMP O=C(Nc1cccnc1)c1noc2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246767524 1259686954 /nfs/dbraw/zinc/68/69/54/1259686954.db2.gz RMRNZJDWDGJMPK-AWEZNQCLSA-N 2 1 368.441 0.774 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1=O ZINC001335498706 1259687739 /nfs/dbraw/zinc/68/77/39/1259687739.db2.gz QWPFASLNGDGYOU-IAGOWNOFSA-N 2 1 353.438 0.628 20 0 FCADMP C(c1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCCCC1 ZINC001246770325 1259687769 /nfs/dbraw/zinc/68/77/69/1259687769.db2.gz YHGIWTHPKSZEJG-MRXNPFEDSA-N 2 1 359.522 0.216 20 0 FCADMP O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246822098 1259691386 /nfs/dbraw/zinc/69/13/86/1259691386.db2.gz QXPBVNJJYALPCX-FQEVSTJZSA-N 2 1 373.545 0.766 20 0 FCADMP COC(=O)[C@@H]1C[C@H](n2ccc3c2ncnc3N(C)[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246886589 1259692479 /nfs/dbraw/zinc/69/24/79/1259692479.db2.gz BOBXXGQKJPRUKI-VRKREXBASA-N 2 1 372.473 0.942 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])C2 ZINC001246919040 1259694469 /nfs/dbraw/zinc/69/44/69/1259694469.db2.gz IPBLZYJTCXUYGE-MUJYYYPQSA-N 3 1 369.510 0.254 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])C2 ZINC001246919040 1259694478 /nfs/dbraw/zinc/69/44/78/1259694478.db2.gz IPBLZYJTCXUYGE-MUJYYYPQSA-N 3 1 369.510 0.254 20 0 FCADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246924339 1259694815 /nfs/dbraw/zinc/69/48/15/1259694815.db2.gz IAWGCWZBMLOJFU-INIZCTEOSA-N 3 1 364.490 0.852 20 0 FCADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246924339 1259694824 /nfs/dbraw/zinc/69/48/24/1259694824.db2.gz IAWGCWZBMLOJFU-INIZCTEOSA-N 3 1 364.490 0.852 20 0 FCADMP C[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001246923217 1259695499 /nfs/dbraw/zinc/69/54/99/1259695499.db2.gz BKSPLOQHCWJHCO-MJGOQNOKSA-N 3 1 361.534 0.765 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)C1C[C@@H]2COC[C@H](C1)N2 ZINC001246945264 1259697910 /nfs/dbraw/zinc/69/79/10/1259697910.db2.gz WSFBJKVLHPNWEJ-YOFSQIOKSA-N 2 1 366.550 0.530 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005756 1259698351 /nfs/dbraw/zinc/69/83/51/1259698351.db2.gz GGNSKEABLURJGA-KKUMJFAQSA-N 2 1 367.490 0.533 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc(CN4CC[NH2+]CC4=O)n3)cc2)CC1 ZINC001247714573 1259704954 /nfs/dbraw/zinc/70/49/54/1259704954.db2.gz QAANXGLRVRXKEA-UHFFFAOYSA-N 2 1 356.430 0.420 20 0 FCADMP C[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001249265415 1259721833 /nfs/dbraw/zinc/72/18/33/1259721833.db2.gz IPTDYNYDKCPQRC-CYBMUJFWSA-N 2 1 358.446 0.447 20 0 FCADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016579 1259730548 /nfs/dbraw/zinc/73/05/48/1259730548.db2.gz XVLQBACUJVUOFT-UFYCRDLUSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016579 1259730550 /nfs/dbraw/zinc/73/05/50/1259730550.db2.gz XVLQBACUJVUOFT-UFYCRDLUSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016579 1259730554 /nfs/dbraw/zinc/73/05/54/1259730554.db2.gz XVLQBACUJVUOFT-UFYCRDLUSA-N 2 1 367.534 0.360 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC001251048008 1259736097 /nfs/dbraw/zinc/73/60/97/1259736097.db2.gz AFBXRTDXVBJQSL-HSALFYBXSA-N 2 1 363.502 0.559 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC001251048008 1259736105 /nfs/dbraw/zinc/73/61/05/1259736105.db2.gz AFBXRTDXVBJQSL-HSALFYBXSA-N 2 1 363.502 0.559 20 0 FCADMP C[N@H+]1CCCN(CC[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251341490 1259744502 /nfs/dbraw/zinc/74/45/02/1259744502.db2.gz BTTWDBSHOHWBRU-IBGZPJMESA-N 2 1 370.538 0.976 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181596 1259825911 /nfs/dbraw/zinc/82/59/11/1259825911.db2.gz FVHUUDBINHIKSU-QZTJIDSGSA-N 2 1 365.518 0.816 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184607 1259826910 /nfs/dbraw/zinc/82/69/10/1259826910.db2.gz HEQYGRDXUPKTKT-APWZRJJASA-N 2 1 368.522 0.092 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253188230 1259829608 /nfs/dbraw/zinc/82/96/08/1259829608.db2.gz SVDOIXKRDODLRQ-KURKYZTESA-N 2 1 359.470 0.806 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253188230 1259829616 /nfs/dbraw/zinc/82/96/16/1259829616.db2.gz SVDOIXKRDODLRQ-KURKYZTESA-N 2 1 359.470 0.806 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001253390382 1259838065 /nfs/dbraw/zinc/83/80/65/1259838065.db2.gz OAKGFLGHUJPTJC-AHCXZYCDSA-N 2 1 367.534 0.989 20 0 FCADMP CC1(C)C[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CCN1CC(N)=O ZINC001254038619 1259868955 /nfs/dbraw/zinc/86/89/55/1259868955.db2.gz KVCVTSOFGPZPJO-UHFFFAOYSA-N 2 1 374.529 0.895 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523395 1259890320 /nfs/dbraw/zinc/89/03/20/1259890320.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 2 1 366.550 0.973 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254523395 1259890327 /nfs/dbraw/zinc/89/03/27/1259890327.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 2 1 366.550 0.973 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254523395 1259890334 /nfs/dbraw/zinc/89/03/34/1259890334.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 2 1 366.550 0.973 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001255951777 1259929263 /nfs/dbraw/zinc/92/92/63/1259929263.db2.gz ATPOJUNFYBATAH-QKPAOTATSA-N 2 1 368.478 0.616 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256283325 1259943296 /nfs/dbraw/zinc/94/32/96/1259943296.db2.gz AGROYFSADKVFAM-ZDUSSCGKSA-N 2 1 371.482 0.780 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862315 1259975724 /nfs/dbraw/zinc/97/57/24/1259975724.db2.gz CDKBGQGIZLRELZ-RTBURBONSA-N 2 1 372.513 0.972 20 0 FCADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001257217539 1260002560 /nfs/dbraw/zinc/00/25/60/1260002560.db2.gz SOXWXKZAQOHYJD-CVEARBPZSA-N 2 1 358.552 0.919 20 0 FCADMP CC(C)[NH+]1CCC([N@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001257217539 1260002567 /nfs/dbraw/zinc/00/25/67/1260002567.db2.gz SOXWXKZAQOHYJD-CVEARBPZSA-N 2 1 358.552 0.919 20 0 FCADMP COC(=O)CC[C@@H](C)[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001258372025 1260046975 /nfs/dbraw/zinc/04/69/75/1260046975.db2.gz UCYRFUOPYOBDGR-OAHLLOKOSA-N 2 1 361.490 0.971 20 0 FCADMP COC(=O)CC[C@@H](C)[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001258372025 1260046982 /nfs/dbraw/zinc/04/69/82/1260046982.db2.gz UCYRFUOPYOBDGR-OAHLLOKOSA-N 2 1 361.490 0.971 20 0 FCADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CC1 ZINC001258770359 1260056538 /nfs/dbraw/zinc/05/65/38/1260056538.db2.gz XHNBNKHGOQXMFY-ARFHVFGLSA-N 2 1 366.462 0.370 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@H+]1C ZINC001261134354 1260081924 /nfs/dbraw/zinc/08/19/24/1260081924.db2.gz TUDKCMYJZCYHNL-SIXLDLHFSA-N 2 1 366.506 0.079 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001331949180 1266309184 /nfs/dbraw/zinc/30/91/84/1266309184.db2.gz OMHXFKFYPGSHME-GJZGRUSLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001331949180 1266309198 /nfs/dbraw/zinc/30/91/98/1266309198.db2.gz OMHXFKFYPGSHME-GJZGRUSLSA-N 2 1 362.474 0.377 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515737 1260153793 /nfs/dbraw/zinc/15/37/93/1260153793.db2.gz RMRTYXLGZWUMOU-BRWVUGGUSA-N 2 1 366.506 0.333 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001336713346 1260207700 /nfs/dbraw/zinc/20/77/00/1260207700.db2.gz PBOOUEPDXMWVNZ-KRWDZBQOSA-N 2 1 368.522 0.897 20 0 FCADMP C[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H]1CC[NH3+] ZINC001336819695 1260230781 /nfs/dbraw/zinc/23/07/81/1260230781.db2.gz FQYRNWLZYZLKRI-GOEBONIOSA-N 2 1 353.511 0.698 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1=O ZINC001336829535 1260232844 /nfs/dbraw/zinc/23/28/44/1260232844.db2.gz DBDFIFXODVUGCW-XJKSGUPXSA-N 2 1 371.428 0.767 20 0 FCADMP CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336857381 1260238684 /nfs/dbraw/zinc/23/86/84/1260238684.db2.gz CVAVIBAGOAGJSO-VVLHAWIVSA-N 2 1 363.506 0.511 20 0 FCADMP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337016927 1260286069 /nfs/dbraw/zinc/28/60/69/1260286069.db2.gz YPWFVLBXYIBKEQ-DLBZAZTESA-N 2 1 353.511 0.224 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051374 1260295699 /nfs/dbraw/zinc/29/56/99/1260295699.db2.gz CANZZVHYNXUMAJ-MDYRTPRTSA-N 2 1 374.485 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051374 1260295701 /nfs/dbraw/zinc/29/57/01/1260295701.db2.gz CANZZVHYNXUMAJ-MDYRTPRTSA-N 2 1 374.485 0.950 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001337052302 1260296284 /nfs/dbraw/zinc/29/62/84/1260296284.db2.gz IXANJOTZAOOTBW-HUUCEWRRSA-N 2 1 364.494 0.421 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001262574699 1260330162 /nfs/dbraw/zinc/33/01/62/1260330162.db2.gz YLGCSOAYEKTRIS-SJORKVTESA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099594 1260340296 /nfs/dbraw/zinc/34/02/96/1260340296.db2.gz OMAFIXOHUAIROP-CZUORRHYSA-N 2 1 362.478 0.047 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099594 1260340304 /nfs/dbraw/zinc/34/03/04/1260340304.db2.gz OMAFIXOHUAIROP-CZUORRHYSA-N 2 1 362.478 0.047 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001272745156 1260496612 /nfs/dbraw/zinc/49/66/12/1260496612.db2.gz OXETXUJZSWZDGM-UHFFFAOYSA-N 2 1 355.442 0.961 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4ccc5c[nH+]cn5c4)CC3)[C@H]2C1 ZINC001272745909 1260497319 /nfs/dbraw/zinc/49/73/19/1260497319.db2.gz UGHAVMGNEFYGFD-HOTGVXAUSA-N 2 1 353.426 0.617 20 0 FCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC4(C3)CC[N@H+](C)C4)CC2)CC1 ZINC001272922923 1260529188 /nfs/dbraw/zinc/52/91/88/1260529188.db2.gz ADGMNKQOPWGTDY-UHFFFAOYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273257324 1260638787 /nfs/dbraw/zinc/63/87/87/1260638787.db2.gz ZPWFQKUEYPUCTH-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001273272240 1260643998 /nfs/dbraw/zinc/64/39/98/1260643998.db2.gz FSMMCSGFVXBRNI-WBVHZDCISA-N 2 1 362.518 0.729 20 0 FCADMP COc1ncnc(OC)c1C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277761211 1260667225 /nfs/dbraw/zinc/66/72/25/1260667225.db2.gz AVRQHGFKHQTBOU-SFHVURJKSA-N 2 1 363.462 0.480 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778681 1260669928 /nfs/dbraw/zinc/66/99/28/1260669928.db2.gz RBOXWCGMTCLLIY-MJGOQNOKSA-N 2 1 371.522 0.277 20 0 FCADMP COC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)nc1 ZINC001278628515 1260715523 /nfs/dbraw/zinc/71/55/23/1260715523.db2.gz UBOIHDVOXORKKB-HZPDHXFCSA-N 2 1 358.442 0.510 20 0 FCADMP COC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)nc1 ZINC001278628515 1260715529 /nfs/dbraw/zinc/71/55/29/1260715529.db2.gz UBOIHDVOXORKKB-HZPDHXFCSA-N 2 1 358.442 0.510 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH+](Cc3cn4c(n3)COCC4)C[C@H]2CC1 ZINC001278797808 1260733844 /nfs/dbraw/zinc/73/38/44/1260733844.db2.gz RTJILTOHSIJGBD-IYBDPMFKSA-N 2 1 361.490 0.645 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@@H+](Cc3cn4c(n3)COCC4)C[C@H]2CC1 ZINC001278797808 1260733847 /nfs/dbraw/zinc/73/38/47/1260733847.db2.gz RTJILTOHSIJGBD-IYBDPMFKSA-N 2 1 361.490 0.645 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](Cc3cn4c(n3)COCC4)C[C@H]2CC1 ZINC001278797808 1260733849 /nfs/dbraw/zinc/73/38/49/1260733849.db2.gz RTJILTOHSIJGBD-IYBDPMFKSA-N 2 1 361.490 0.645 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)n1 ZINC001279254350 1260812574 /nfs/dbraw/zinc/81/25/74/1260812574.db2.gz QAIBHKKFJYESIH-HUUCEWRRSA-N 2 1 358.442 0.510 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)n1 ZINC001279254350 1260812578 /nfs/dbraw/zinc/81/25/78/1260812578.db2.gz QAIBHKKFJYESIH-HUUCEWRRSA-N 2 1 358.442 0.510 20 0 FCADMP CCN(C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC001332235860 1266363798 /nfs/dbraw/zinc/36/37/98/1266363798.db2.gz QRTJIWMXLIDKTB-OAHLLOKOSA-N 2 1 356.430 0.402 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279354974 1260847256 /nfs/dbraw/zinc/84/72/56/1260847256.db2.gz JQMWBZLGGZHZSL-IBGZPJMESA-N 2 1 362.522 0.447 20 0 FCADMP C[NH+](C)CCN1CCN(C[C@H]2CCC[N@@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501456 1260880703 /nfs/dbraw/zinc/88/07/03/1260880703.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 2 1 365.566 0.546 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCN(C(=O)Cn2cccnc2=O)C3)C1 ZINC001279502826 1260880847 /nfs/dbraw/zinc/88/08/47/1260880847.db2.gz XWTNBLAJIHPPMF-MRXNPFEDSA-N 2 1 359.474 0.119 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCN(C(=O)Cn2cccnc2=O)C3)C1 ZINC001279502826 1260880854 /nfs/dbraw/zinc/88/08/54/1260880854.db2.gz XWTNBLAJIHPPMF-MRXNPFEDSA-N 2 1 359.474 0.119 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001279509348 1260882307 /nfs/dbraw/zinc/88/23/07/1260882307.db2.gz YVPOBGMWUBBRJY-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc2c1OCO2 ZINC001279613730 1260899082 /nfs/dbraw/zinc/89/90/82/1260899082.db2.gz JHSLDUHWWZPXJE-YJBOKZPZSA-N 2 1 363.458 0.871 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc2c1OCO2 ZINC001279613730 1260899089 /nfs/dbraw/zinc/89/90/89/1260899089.db2.gz JHSLDUHWWZPXJE-YJBOKZPZSA-N 2 1 363.458 0.871 20 0 FCADMP O=C(Cn1cccnc1=O)N1CC2(C1)CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001279616145 1260899746 /nfs/dbraw/zinc/89/97/46/1260899746.db2.gz WFFWHLNTIKWREU-UHFFFAOYSA-N 2 1 359.474 0.167 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCOC4)CC3)[C@H]2C1 ZINC001279617951 1260901298 /nfs/dbraw/zinc/90/12/98/1260901298.db2.gz NKNNPMNXAICUJJ-BZSNNMDCSA-N 2 1 364.534 0.487 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1nnc2n1CC[N@@H+](CCOC)[C@H](C)C2 ZINC001279721642 1260921009 /nfs/dbraw/zinc/92/10/09/1260921009.db2.gz FSTGCXMDIOONSD-OAHLLOKOSA-N 2 1 366.510 0.585 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1nnc2n1CC[N@H+](CCOC)[C@H](C)C2 ZINC001279721642 1260921012 /nfs/dbraw/zinc/92/10/12/1260921012.db2.gz FSTGCXMDIOONSD-OAHLLOKOSA-N 2 1 366.510 0.585 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001332288695 1266370920 /nfs/dbraw/zinc/37/09/20/1266370920.db2.gz QCASBKZUYGEBRB-KURKYZTESA-N 2 1 358.486 0.521 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ncc[nH]3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279757389 1260929314 /nfs/dbraw/zinc/92/93/14/1260929314.db2.gz AUHDVEKDUWGWHC-UWWQBHOKSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ncc[nH]3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279757389 1260929318 /nfs/dbraw/zinc/92/93/18/1260929318.db2.gz AUHDVEKDUWGWHC-UWWQBHOKSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2COCCC23C[NH+](Cc2cn[nH]c2)C3)CC1 ZINC001279918954 1260962130 /nfs/dbraw/zinc/96/21/30/1260962130.db2.gz IXGZLPOLJJLXRX-KRWDZBQOSA-N 2 1 361.490 0.801 20 0 FCADMP CCOC(=O)CC[N@H+]1C[C@@H]2C(C(=O)N(C)CC[NH+](CC)CC)=NO[C@@H]2C1 ZINC001280096070 1261000641 /nfs/dbraw/zinc/00/06/41/1261000641.db2.gz QIUWPULROONSET-LSDHHAIUSA-N 2 1 368.478 0.426 20 0 FCADMP CCOC(=O)CC[N@@H+]1C[C@@H]2C(C(=O)N(C)CC[NH+](CC)CC)=NO[C@@H]2C1 ZINC001280096070 1261000649 /nfs/dbraw/zinc/00/06/49/1261000649.db2.gz QIUWPULROONSET-LSDHHAIUSA-N 2 1 368.478 0.426 20 0 FCADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)[C@@H]2C1 ZINC001280105309 1261005007 /nfs/dbraw/zinc/00/50/07/1261005007.db2.gz ZUSOXWXEQVBYST-HUUCEWRRSA-N 2 1 356.474 0.723 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)[C@@H]2C1 ZINC001280105309 1261005012 /nfs/dbraw/zinc/00/50/12/1261005012.db2.gz ZUSOXWXEQVBYST-HUUCEWRRSA-N 2 1 356.474 0.723 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cn4c(n2)COCC4)C3)CC1 ZINC001280117285 1261007587 /nfs/dbraw/zinc/00/75/87/1261007587.db2.gz NCEIWOPFKVOTCZ-AUUYWEPGSA-N 2 1 359.474 0.446 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cn4c(n2)COCC4)C3)CC1 ZINC001280117285 1261007593 /nfs/dbraw/zinc/00/75/93/1261007593.db2.gz NCEIWOPFKVOTCZ-AUUYWEPGSA-N 2 1 359.474 0.446 20 0 FCADMP C[C@H](NC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]12)c1ncc[nH]1 ZINC001280125508 1261010585 /nfs/dbraw/zinc/01/05/85/1261010585.db2.gz KXZSJURLBVVGRW-AEGPPILISA-N 2 1 360.462 0.615 20 0 FCADMP O=C(c1noc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2)N1CC2(CC(O)C2)C1 ZINC001280134235 1261012764 /nfs/dbraw/zinc/01/27/64/1261012764.db2.gz AWAJAGLROSZFMC-UHFFFAOYSA-N 2 1 360.458 0.629 20 0 FCADMP C[C@@H]1c2ncc(CC(=O)Nc3nnco3)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001280136005 1261013155 /nfs/dbraw/zinc/01/31/55/1261013155.db2.gz ABAIBRVZZPLARU-GFCCVEGCSA-N 2 1 359.434 0.824 20 0 FCADMP C[C@@H]1c2ncc(CC(=O)Nc3nnco3)n2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001280136005 1261013163 /nfs/dbraw/zinc/01/31/63/1261013163.db2.gz ABAIBRVZZPLARU-GFCCVEGCSA-N 2 1 359.434 0.824 20 0 FCADMP COCCN(C)C(=O)c1nnc2n1CC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)C2 ZINC001280134692 1261013244 /nfs/dbraw/zinc/01/32/44/1261013244.db2.gz FJJSSAOEWPQWIM-AWEZNQCLSA-N 2 1 364.494 0.243 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001332333427 1266378488 /nfs/dbraw/zinc/37/84/88/1266378488.db2.gz BGXIYJAPZLONIE-MSOLQXFVSA-N 2 1 362.474 0.364 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]23)CC1 ZINC001280202878 1261031236 /nfs/dbraw/zinc/03/12/36/1261031236.db2.gz AYAFHDPLEFTYNF-IXDOHACOSA-N 2 1 364.490 0.795 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280212365 1261034377 /nfs/dbraw/zinc/03/43/77/1261034377.db2.gz AXOBVXINQQUEKT-JYJNAYRXSA-N 2 1 359.474 0.291 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280212365 1261034383 /nfs/dbraw/zinc/03/43/83/1261034383.db2.gz AXOBVXINQQUEKT-JYJNAYRXSA-N 2 1 359.474 0.291 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259443 1261043402 /nfs/dbraw/zinc/04/34/02/1261043402.db2.gz ONGARQPFRRNBLN-IDCNUPLLSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259443 1261043404 /nfs/dbraw/zinc/04/34/04/1261043404.db2.gz ONGARQPFRRNBLN-IDCNUPLLSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259443 1261043406 /nfs/dbraw/zinc/04/34/06/1261043406.db2.gz ONGARQPFRRNBLN-IDCNUPLLSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@H+](Cc4c[nH]cn4)C[C@@H]3O2)CC1 ZINC001280341983 1261059399 /nfs/dbraw/zinc/05/93/99/1261059399.db2.gz SMGCYYATUIJRON-JLSDUUJJSA-N 2 1 361.490 0.942 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4c[nH]cn4)C[C@@H]3O2)CC1 ZINC001280341983 1261059404 /nfs/dbraw/zinc/05/94/04/1261059404.db2.gz SMGCYYATUIJRON-JLSDUUJJSA-N 2 1 361.490 0.942 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332341732 1266382236 /nfs/dbraw/zinc/38/22/36/1266382236.db2.gz RJVMSAIXXCCGJM-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001345100683 1261635014 /nfs/dbraw/zinc/63/50/14/1261635014.db2.gz VCMJJPLAUHWATJ-INIZCTEOSA-N 2 1 358.442 0.804 20 0 FCADMP [NH3+]CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001580317663 1278118149 /nfs/dbraw/zinc/11/81/49/1278118149.db2.gz CJUYXAIWBWHAQR-AWEZNQCLSA-N 2 1 370.461 0.559 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580329226 1278128974 /nfs/dbraw/zinc/12/89/74/1278128974.db2.gz JNWONYJFXWOHEB-BRXULGCHSA-N 2 1 370.461 0.283 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001289832934 1262353951 /nfs/dbraw/zinc/35/39/51/1262353951.db2.gz COUDFJTYSXTPKJ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001289832934 1262353952 /nfs/dbraw/zinc/35/39/52/1262353952.db2.gz COUDFJTYSXTPKJ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001289832934 1262353954 /nfs/dbraw/zinc/35/39/54/1262353954.db2.gz COUDFJTYSXTPKJ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001289832934 1262353957 /nfs/dbraw/zinc/35/39/57/1262353957.db2.gz COUDFJTYSXTPKJ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001290532119 1262465150 /nfs/dbraw/zinc/46/51/50/1262465150.db2.gz DWYVWKGREPIWCS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001290532119 1262465155 /nfs/dbraw/zinc/46/51/55/1262465155.db2.gz DWYVWKGREPIWCS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001290532119 1262465158 /nfs/dbraw/zinc/46/51/58/1262465158.db2.gz DWYVWKGREPIWCS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332545 1262922831 /nfs/dbraw/zinc/92/28/31/1262922831.db2.gz PPEBKZINAHYFBL-QZWWFDLISA-N 2 1 366.481 0.574 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332545 1262922837 /nfs/dbraw/zinc/92/28/37/1262922837.db2.gz PPEBKZINAHYFBL-QZWWFDLISA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332545 1262922842 /nfs/dbraw/zinc/92/28/42/1262922842.db2.gz PPEBKZINAHYFBL-QZWWFDLISA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332545 1262922856 /nfs/dbraw/zinc/92/28/56/1262922856.db2.gz PPEBKZINAHYFBL-QZWWFDLISA-N 2 1 366.481 0.574 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1c1ccccc1 ZINC001479425164 1263194930 /nfs/dbraw/zinc/19/49/30/1263194930.db2.gz MZLIEGNYBGERAV-RBUKOAKNSA-N 2 1 361.486 0.675 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCO)C[C@H]1c1ccccc1 ZINC001479425164 1263194936 /nfs/dbraw/zinc/19/49/36/1263194936.db2.gz MZLIEGNYBGERAV-RBUKOAKNSA-N 2 1 361.486 0.675 20 0 FCADMP NC(=O)Cn1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nn1 ZINC001308344371 1263216425 /nfs/dbraw/zinc/21/64/25/1263216425.db2.gz HEEIWQAAQCEVNE-QGZVFWFLSA-N 2 1 358.446 0.010 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479564604 1263255683 /nfs/dbraw/zinc/25/56/83/1263255683.db2.gz PAYJJGVETFHSLQ-HIFRSBDPSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001312055408 1263270030 /nfs/dbraw/zinc/27/00/30/1263270030.db2.gz PMWIOFQNDXUNDJ-ZIFCJYIRSA-N 2 1 368.522 0.776 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001316614964 1263385929 /nfs/dbraw/zinc/38/59/29/1263385929.db2.gz KIXKDWCLJBDBAW-LJISPDSOSA-N 2 1 367.494 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCCO3)CCC2)CC[N@H+]1C ZINC001484634342 1263481757 /nfs/dbraw/zinc/48/17/57/1263481757.db2.gz LMEODKROEIYCDZ-OWCLPIDISA-N 2 1 366.506 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001317552426 1263517225 /nfs/dbraw/zinc/51/72/25/1263517225.db2.gz IWGBAYUQPBXPMM-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC2CCOCC2)C2CC2)CC[N@H+]1C ZINC001317552426 1263517229 /nfs/dbraw/zinc/51/72/29/1263517229.db2.gz IWGBAYUQPBXPMM-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NC2CCOCC2)C2CC2)CC[NH+]1C ZINC001317552426 1263517233 /nfs/dbraw/zinc/51/72/33/1263517233.db2.gz IWGBAYUQPBXPMM-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NC2CCOCC2)C2CC2)CC[NH+]1C ZINC001317552426 1263517235 /nfs/dbraw/zinc/51/72/35/1263517235.db2.gz IWGBAYUQPBXPMM-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632315 1263518701 /nfs/dbraw/zinc/51/87/01/1263518701.db2.gz SWEGPUOLZBTYMB-JQHSSLGASA-N 2 1 360.502 0.857 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580385333 1278202914 /nfs/dbraw/zinc/20/29/14/1278202914.db2.gz DTSYZFNDSFIPPZ-MGPQQGTHSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385333 1278202919 /nfs/dbraw/zinc/20/29/19/1278202919.db2.gz DTSYZFNDSFIPPZ-MGPQQGTHSA-N 2 1 370.461 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001580385425 1278204141 /nfs/dbraw/zinc/20/41/41/1278204141.db2.gz ISMRSANRTYAJKK-ZOBORPQBSA-N 2 1 368.445 0.391 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001580385425 1278204146 /nfs/dbraw/zinc/20/41/46/1278204146.db2.gz ISMRSANRTYAJKK-ZOBORPQBSA-N 2 1 368.445 0.391 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580387866 1278210338 /nfs/dbraw/zinc/21/03/38/1278210338.db2.gz FZLUTMANLDKHHF-VFVRVIDISA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580387866 1278210340 /nfs/dbraw/zinc/21/03/40/1278210340.db2.gz FZLUTMANLDKHHF-VFVRVIDISA-N 2 1 370.461 0.687 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001321423396 1263958583 /nfs/dbraw/zinc/95/85/83/1263958583.db2.gz VLGYYKRHVRHESO-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001321423396 1263958592 /nfs/dbraw/zinc/95/85/92/1263958592.db2.gz VLGYYKRHVRHESO-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001321423396 1263958601 /nfs/dbraw/zinc/95/86/01/1263958601.db2.gz VLGYYKRHVRHESO-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC001321507222 1263978001 /nfs/dbraw/zinc/97/80/01/1263978001.db2.gz CILCYOAZDNYJHS-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CNC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499526508 1264032290 /nfs/dbraw/zinc/03/22/90/1264032290.db2.gz VHFJTAGVECGWNU-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499526508 1264032299 /nfs/dbraw/zinc/03/22/99/1264032299.db2.gz VHFJTAGVECGWNU-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499526508 1264032304 /nfs/dbraw/zinc/03/23/04/1264032304.db2.gz VHFJTAGVECGWNU-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580400594 1278226274 /nfs/dbraw/zinc/22/62/74/1278226274.db2.gz GMGZQCOZYOPCFB-VXGBXAGGSA-N 2 1 361.425 0.552 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001322960089 1264302121 /nfs/dbraw/zinc/30/21/21/1264302121.db2.gz XOSVANBMYBJHSX-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001580401884 1278229567 /nfs/dbraw/zinc/22/95/67/1278229567.db2.gz BVXYAYHEEPACKE-CYBMUJFWSA-N 2 1 357.462 0.945 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001512851994 1264693568 /nfs/dbraw/zinc/69/35/68/1264693568.db2.gz CENAJQBIBWKEAS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001512851994 1264693584 /nfs/dbraw/zinc/69/35/84/1264693584.db2.gz CENAJQBIBWKEAS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001512851994 1264693595 /nfs/dbraw/zinc/69/35/95/1264693595.db2.gz CENAJQBIBWKEAS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H]1n1ccnc1 ZINC001324907603 1264734090 /nfs/dbraw/zinc/73/40/90/1264734090.db2.gz SPRHKNCKBWJTST-IXDOHACOSA-N 2 1 359.474 0.989 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001326591867 1265138502 /nfs/dbraw/zinc/13/85/02/1265138502.db2.gz PCYKJLAZWNDGHH-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)CC2)c1 ZINC001327124600 1265239104 /nfs/dbraw/zinc/23/91/04/1265239104.db2.gz LEEPBEVTGYUDAG-MRXNPFEDSA-N 2 1 359.474 0.449 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001332966491 1266512753 /nfs/dbraw/zinc/51/27/53/1266512753.db2.gz MQGVSLGCFSWRMR-OAHLLOKOSA-N 2 1 372.477 0.888 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC001332979937 1266515867 /nfs/dbraw/zinc/51/58/67/1266515867.db2.gz FWUWRZOWGASKFO-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC001332979937 1266515875 /nfs/dbraw/zinc/51/58/75/1266515875.db2.gz FWUWRZOWGASKFO-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC001332979937 1266515885 /nfs/dbraw/zinc/51/58/85/1266515885.db2.gz FWUWRZOWGASKFO-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC001332979937 1266515890 /nfs/dbraw/zinc/51/58/90/1266515890.db2.gz FWUWRZOWGASKFO-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001333404744 1266593911 /nfs/dbraw/zinc/59/39/11/1266593911.db2.gz IBMSKOUUBZWAPB-NRSFXHEJSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001333404744 1266593918 /nfs/dbraw/zinc/59/39/18/1266593918.db2.gz IBMSKOUUBZWAPB-NRSFXHEJSA-N 2 1 374.485 0.246 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001333574264 1266635839 /nfs/dbraw/zinc/63/58/39/1266635839.db2.gz HHTOVWBJKKRTBL-HOTGVXAUSA-N 2 1 351.495 0.513 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333618453 1266652933 /nfs/dbraw/zinc/65/29/33/1266652933.db2.gz NBOOMKVPUDYRRP-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001524009210 1266675859 /nfs/dbraw/zinc/67/58/59/1266675859.db2.gz PQUFJFJTGWVUOB-IAGOWNOFSA-N 2 1 359.474 0.162 20 0 FCADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001333795220 1266719692 /nfs/dbraw/zinc/71/96/92/1266719692.db2.gz XCPHCHGXIVSHLS-OAHLLOKOSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCCC1 ZINC001527879050 1266931985 /nfs/dbraw/zinc/93/19/85/1266931985.db2.gz XFYWLFNBZRORLR-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCCC1 ZINC001527879050 1266931993 /nfs/dbraw/zinc/93/19/93/1266931993.db2.gz XFYWLFNBZRORLR-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001528365005 1266965659 /nfs/dbraw/zinc/96/56/59/1266965659.db2.gz NGNPMTMNYSSLDV-TZMCWYRMSA-N 2 1 351.451 0.265 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001528365005 1266965665 /nfs/dbraw/zinc/96/56/65/1266965665.db2.gz NGNPMTMNYSSLDV-TZMCWYRMSA-N 2 1 351.451 0.265 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+]1CCOCC1 ZINC001540544131 1267452129 /nfs/dbraw/zinc/45/21/29/1267452129.db2.gz OJUPUTLHHDMEIU-BPQIPLTHSA-N 2 1 352.523 0.628 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)[NH+]1CCOCC1 ZINC001540544131 1267452131 /nfs/dbraw/zinc/45/21/31/1267452131.db2.gz OJUPUTLHHDMEIU-BPQIPLTHSA-N 2 1 352.523 0.628 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001548829768 1267761464 /nfs/dbraw/zinc/76/14/64/1267761464.db2.gz WNJUAFROBLJGCR-QGZVFWFLSA-N 2 1 355.486 0.867 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001548829768 1267761471 /nfs/dbraw/zinc/76/14/71/1267761471.db2.gz WNJUAFROBLJGCR-QGZVFWFLSA-N 2 1 355.486 0.867 20 0 FCADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCC[N@H+]1C ZINC001548941618 1267775662 /nfs/dbraw/zinc/77/56/62/1267775662.db2.gz XLRGEIKNZPKSSY-CPUCHLNUSA-N 2 1 372.477 0.359 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001549109668 1267811459 /nfs/dbraw/zinc/81/14/59/1267811459.db2.gz CHLQCYKSIJBTJL-AEFFLSMTSA-N 2 1 366.506 0.638 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001549151048 1267828169 /nfs/dbraw/zinc/82/81/69/1267828169.db2.gz UVXJNYYXCPPJSC-SJORKVTESA-N 2 1 359.474 0.951 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@H+]3C[C@@H](O)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001549151048 1267828177 /nfs/dbraw/zinc/82/81/77/1267828177.db2.gz UVXJNYYXCPPJSC-SJORKVTESA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1 ZINC001549221445 1267863530 /nfs/dbraw/zinc/86/35/30/1267863530.db2.gz TZSYNWGWMFMLNQ-ZWKOTPCHSA-N 2 1 373.501 0.595 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nn1 ZINC001549295570 1267892236 /nfs/dbraw/zinc/89/22/36/1267892236.db2.gz LFNREVQZKLPHNF-MUIFIZLQSA-N 2 1 362.478 0.113 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001549761663 1267993364 /nfs/dbraw/zinc/99/33/64/1267993364.db2.gz CKZJNDXWJBQXJU-OIISXLGYSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001549761663 1267993369 /nfs/dbraw/zinc/99/33/69/1267993369.db2.gz CKZJNDXWJBQXJU-OIISXLGYSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001549762374 1267994272 /nfs/dbraw/zinc/99/42/72/1267994272.db2.gz OIODWPZBDQAWJV-PVAVHDDUSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001549762374 1267994278 /nfs/dbraw/zinc/99/42/78/1267994278.db2.gz OIODWPZBDQAWJV-PVAVHDDUSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC001549763464 1267996185 /nfs/dbraw/zinc/99/61/85/1267996185.db2.gz NGSPTCMKZSVVEM-KBAYOESNSA-N 2 1 374.533 0.722 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001338657410 1268025836 /nfs/dbraw/zinc/02/58/36/1268025836.db2.gz YOZNCFNZXMQZAY-MRXNPFEDSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001338657410 1268025848 /nfs/dbraw/zinc/02/58/48/1268025848.db2.gz YOZNCFNZXMQZAY-MRXNPFEDSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001338657408 1268025921 /nfs/dbraw/zinc/02/59/21/1268025921.db2.gz YOZNCFNZXMQZAY-INIZCTEOSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001338657408 1268025933 /nfs/dbraw/zinc/02/59/33/1268025933.db2.gz YOZNCFNZXMQZAY-INIZCTEOSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC001550481749 1268126192 /nfs/dbraw/zinc/12/61/92/1268126192.db2.gz PBXUQPLEOHHGGQ-QSUVVDIXSA-N 2 1 352.523 0.218 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC001550481749 1268126197 /nfs/dbraw/zinc/12/61/97/1268126197.db2.gz PBXUQPLEOHHGGQ-QSUVVDIXSA-N 2 1 352.523 0.218 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001338997081 1268143556 /nfs/dbraw/zinc/14/35/56/1268143556.db2.gz BQIVBCFBUMNYBE-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001339016640 1268150357 /nfs/dbraw/zinc/15/03/57/1268150357.db2.gz OSLQHHZXINFFMZ-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)C[NH+]1CC[C@H](C)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001339016640 1268150362 /nfs/dbraw/zinc/15/03/62/1268150362.db2.gz OSLQHHZXINFFMZ-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)C[NH+]1CC[C@H](C)C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001339016640 1268150369 /nfs/dbraw/zinc/15/03/69/1268150369.db2.gz OSLQHHZXINFFMZ-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@@H+]1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]2C[C@H]1CO ZINC001550745794 1268160081 /nfs/dbraw/zinc/16/00/81/1268160081.db2.gz UKSMAAIMJOBTIL-ZRSRNVLSSA-N 2 1 358.486 0.839 20 0 FCADMP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550745269 1268160256 /nfs/dbraw/zinc/16/02/56/1268160256.db2.gz RHBBOCYIRABKAJ-JYJNAYRXSA-N 2 1 352.479 0.260 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC(=O)N[C@H]2C1 ZINC001550744311 1268160656 /nfs/dbraw/zinc/16/06/56/1268160656.db2.gz XAZDQBOFQYAJPT-VQHPVUNQSA-N 2 1 357.458 0.004 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2COCC[C@@H]2[NH3+])C1 ZINC001550753246 1268161227 /nfs/dbraw/zinc/16/12/27/1268161227.db2.gz XWTBEKIVMDPAFQ-FGTMMUONSA-N 2 1 362.474 0.611 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2COCC[C@@H]2[NH3+])C1 ZINC001550753246 1268161229 /nfs/dbraw/zinc/16/12/29/1268161229.db2.gz XWTBEKIVMDPAFQ-FGTMMUONSA-N 2 1 362.474 0.611 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[N@@H+](C)C1 ZINC001550762512 1268164823 /nfs/dbraw/zinc/16/48/23/1268164823.db2.gz POSYPHWMEAIJQA-BZUAXINKSA-N 2 1 354.495 0.506 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001550980241 1268188479 /nfs/dbraw/zinc/18/84/79/1268188479.db2.gz RRMWANHGZZFFHJ-BSDSXHPESA-N 2 1 366.506 0.527 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[NH+]1CC[C@@H](O)C1 ZINC001550980241 1268188482 /nfs/dbraw/zinc/18/84/82/1268188482.db2.gz RRMWANHGZZFFHJ-BSDSXHPESA-N 2 1 366.506 0.527 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[NH+]1CC[C@@H](O)C1 ZINC001550980241 1268188488 /nfs/dbraw/zinc/18/84/88/1268188488.db2.gz RRMWANHGZZFFHJ-BSDSXHPESA-N 2 1 366.506 0.527 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001550980906 1268189144 /nfs/dbraw/zinc/18/91/44/1268189144.db2.gz SDHQEFZAPHMYSC-YESZJQIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001551099959 1268205278 /nfs/dbraw/zinc/20/52/78/1268205278.db2.gz KLTNRBPSSPTJSJ-MANSERQUSA-N 2 1 365.518 0.791 20 0 FCADMP Cn1cc([C@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@H]2CO)cn1 ZINC001551236466 1268216556 /nfs/dbraw/zinc/21/65/56/1268216556.db2.gz SOLRNFJCUAIPSL-ZWKOTPCHSA-N 2 1 371.489 0.170 20 0 FCADMP Cn1cc([C@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@H]2CO)cn1 ZINC001551236466 1268216566 /nfs/dbraw/zinc/21/65/66/1268216566.db2.gz SOLRNFJCUAIPSL-ZWKOTPCHSA-N 2 1 371.489 0.170 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001551277995 1268221009 /nfs/dbraw/zinc/22/10/09/1268221009.db2.gz SIAGIUXPRAWCOE-URSIVYNOSA-N 2 1 366.506 0.480 20 0 FCADMP O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387263 1268230872 /nfs/dbraw/zinc/23/08/72/1268230872.db2.gz JAOROQLYJROFTR-ZWKOTPCHSA-N 2 1 374.485 0.858 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001551463208 1268256765 /nfs/dbraw/zinc/25/67/65/1268256765.db2.gz FEJADWZRJWWXAO-CABCVRRESA-N 2 1 354.495 0.290 20 0 FCADMP CC[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CCOC ZINC001551466428 1268256858 /nfs/dbraw/zinc/25/68/58/1268256858.db2.gz XYVXLNKVFJYYSR-SJORKVTESA-N 2 1 368.522 0.897 20 0 FCADMP C[C@H](NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[C@@H]1C[N@H+](C)CCO1 ZINC001551540379 1268263812 /nfs/dbraw/zinc/26/38/12/1268263812.db2.gz HBJHFHOBMJVPMQ-IMIFBBOLSA-N 2 1 350.385 0.547 20 0 FCADMP C[C@H](NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[C@@H]1C[N@@H+](C)CCO1 ZINC001551540379 1268263820 /nfs/dbraw/zinc/26/38/20/1268263820.db2.gz HBJHFHOBMJVPMQ-IMIFBBOLSA-N 2 1 350.385 0.547 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C[C@H](C)[N@@H+]1CCO ZINC001551557444 1268268645 /nfs/dbraw/zinc/26/86/45/1268268645.db2.gz JAAOOAGBGNPEET-NEBZKDRISA-N 2 1 364.412 0.625 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551557855 1268269905 /nfs/dbraw/zinc/26/99/05/1268269905.db2.gz XAFARQWOWFSCFU-XYJFISCASA-N 2 1 365.522 0.615 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)CC1 ZINC001551588418 1268279661 /nfs/dbraw/zinc/27/96/61/1268279661.db2.gz LJODUWIDJXJOTO-KOHRHEQBSA-N 2 1 363.506 0.452 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551589985 1268280387 /nfs/dbraw/zinc/28/03/87/1268280387.db2.gz JFAZLCHBAXBQQS-ZVZYQTTQSA-N 2 1 365.522 0.616 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597250 1268282327 /nfs/dbraw/zinc/28/23/27/1268282327.db2.gz UWZRHKAALZKPMF-FUHWJXTLSA-N 2 1 365.522 0.759 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@H]2C[NH2+]C[C@H]2OC)nn1 ZINC001552088640 1268367086 /nfs/dbraw/zinc/36/70/86/1268367086.db2.gz FJSWABXZUZOPJQ-KCYZZUKISA-N 2 1 362.478 0.065 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552093961 1268369959 /nfs/dbraw/zinc/36/99/59/1268369959.db2.gz CIPKZDZYNKABEO-HOTGVXAUSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552093961 1268369968 /nfs/dbraw/zinc/36/99/68/1268369968.db2.gz CIPKZDZYNKABEO-HOTGVXAUSA-N 2 1 374.514 0.976 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)nn1 ZINC001552167548 1268399355 /nfs/dbraw/zinc/39/93/55/1268399355.db2.gz NWPDVSJGFUESPO-JYYAWHABSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)nn1 ZINC001552167757 1268399415 /nfs/dbraw/zinc/39/94/15/1268399415.db2.gz IKGOPAWRIOVQFB-HLLBOEOZSA-N 2 1 373.461 0.176 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)nn1 ZINC001552179596 1268403631 /nfs/dbraw/zinc/40/36/31/1268403631.db2.gz LPNQPXULWYSVAV-XLNGHYISSA-N 2 1 362.478 0.065 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@H+]1C[C@@H](C)O ZINC001552181628 1268405179 /nfs/dbraw/zinc/40/51/79/1268405179.db2.gz VVXIAWPXLBQQAJ-MOIQIXESSA-N 2 1 363.506 0.335 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201432 1268408663 /nfs/dbraw/zinc/40/86/63/1268408663.db2.gz WABALHHKDBQEDA-UYAOXDASSA-N 2 1 358.486 0.286 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)(N2CCCCC2)CC1 ZINC001552202947 1268409482 /nfs/dbraw/zinc/40/94/82/1268409482.db2.gz UBJQLIUNZRNEPS-APWZRJJASA-N 2 1 350.507 0.289 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001552211478 1268411235 /nfs/dbraw/zinc/41/12/35/1268411235.db2.gz KCLPWASYAGQLIR-WDTWZTHCSA-N 2 1 364.494 0.354 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001552211478 1268411244 /nfs/dbraw/zinc/41/12/44/1268411244.db2.gz KCLPWASYAGQLIR-WDTWZTHCSA-N 2 1 364.494 0.354 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552211338 1268411512 /nfs/dbraw/zinc/41/15/12/1268411512.db2.gz GTTQZQPHAKHNSP-QBPKDAKJSA-N 2 1 353.511 0.173 20 0 FCADMP C[N@H+](CC1CC1)C[C@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001340234396 1268479910 /nfs/dbraw/zinc/47/99/10/1268479910.db2.gz QXODUIOLTJCGFX-QGZVFWFLSA-N 2 1 363.510 0.564 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001340234396 1268479916 /nfs/dbraw/zinc/47/99/16/1268479916.db2.gz QXODUIOLTJCGFX-QGZVFWFLSA-N 2 1 363.510 0.564 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC[N@@H+]1CCOC ZINC001552696898 1268523388 /nfs/dbraw/zinc/52/33/88/1268523388.db2.gz KUNHMNQHUFEYFF-INMHGKMJSA-N 2 1 364.494 0.903 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC[N@H+]1CCOC ZINC001552696898 1268523397 /nfs/dbraw/zinc/52/33/97/1268523397.db2.gz KUNHMNQHUFEYFF-INMHGKMJSA-N 2 1 364.494 0.903 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708856 1268527699 /nfs/dbraw/zinc/52/76/99/1268527699.db2.gz KRWJOEVMTRPYKH-HYVNUMGLSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC001552708856 1268527704 /nfs/dbraw/zinc/52/77/04/1268527704.db2.gz KRWJOEVMTRPYKH-HYVNUMGLSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC001552708856 1268527711 /nfs/dbraw/zinc/52/77/11/1268527711.db2.gz KRWJOEVMTRPYKH-HYVNUMGLSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC001552708856 1268527715 /nfs/dbraw/zinc/52/77/15/1268527715.db2.gz KRWJOEVMTRPYKH-HYVNUMGLSA-N 2 1 361.490 0.543 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1n1ccnn1 ZINC001552801993 1268551002 /nfs/dbraw/zinc/55/10/02/1268551002.db2.gz XBRQCNMCWNPPHD-SLUKUZTOSA-N 2 1 361.494 0.790 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552899204 1268564791 /nfs/dbraw/zinc/56/47/91/1268564791.db2.gz SSYMBPKHABPAPE-MRXNPFEDSA-N 2 1 365.522 0.986 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCO[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957742 1268568951 /nfs/dbraw/zinc/56/89/51/1268568951.db2.gz JEIATRPKBPQDQO-SQNIBIBYSA-N 2 1 365.522 0.175 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553371082 1268638857 /nfs/dbraw/zinc/63/88/57/1268638857.db2.gz WLIVGJVFPNMPGK-LPHOPBHVSA-N 2 1 351.491 0.764 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553406529 1268645871 /nfs/dbraw/zinc/64/58/71/1268645871.db2.gz IJPLUUHFPXWEMM-OKZBNKHCSA-N 2 1 372.469 0.210 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C[C@@H](C)O1 ZINC001553426318 1268649048 /nfs/dbraw/zinc/64/90/48/1268649048.db2.gz YDBHAJLVYQLSLW-BZUAXINKSA-N 2 1 368.522 0.942 20 0 FCADMP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001553441943 1268649686 /nfs/dbraw/zinc/64/96/86/1268649686.db2.gz BZGQWEPWOSIVQW-YQVWRLOYSA-N 2 1 366.506 0.637 20 0 FCADMP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001553490758 1268658005 /nfs/dbraw/zinc/65/80/05/1268658005.db2.gz YXGKAAGYSRHTLW-GOSISDBHSA-N 2 1 354.495 0.496 20 0 FCADMP CO[C@H]1CCOC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553535737 1268665324 /nfs/dbraw/zinc/66/53/24/1268665324.db2.gz BGULJHIUWZWQGF-TWMKSMIVSA-N 2 1 352.479 0.401 20 0 FCADMP CO[C@H]1CCOC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553535740 1268665882 /nfs/dbraw/zinc/66/58/82/1268665882.db2.gz BGULJHIUWZWQGF-YVSFHVDLSA-N 2 1 352.479 0.401 20 0 FCADMP CC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC001553551904 1268669711 /nfs/dbraw/zinc/66/97/11/1268669711.db2.gz YVXANUZCDLSQJC-XHSDSOJGSA-N 2 1 351.495 0.463 20 0 FCADMP [NH3+][C@H](Cc1ccccn1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001340892400 1268696448 /nfs/dbraw/zinc/69/64/48/1268696448.db2.gz FIWJXGHAAJIXKT-LJQANCHMSA-N 2 1 368.485 0.675 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)cnn1-c1cc[nH+]cc1 ZINC001553829546 1268722099 /nfs/dbraw/zinc/72/20/99/1268722099.db2.gz LWYUTHRRSXGKJG-IAGOWNOFSA-N 2 1 366.429 0.795 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001341344765 1268945655 /nfs/dbraw/zinc/94/56/55/1268945655.db2.gz JVDPIIWLMHTESN-OAHLLOKOSA-N 2 1 350.467 0.679 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496648 1269033023 /nfs/dbraw/zinc/03/30/23/1269033023.db2.gz LTNWEBRGJUWOMY-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001341496652 1269033748 /nfs/dbraw/zinc/03/37/48/1269033748.db2.gz LTNWEBRGJUWOMY-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCCC[NH2+]2)CC1=O ZINC001341549498 1269073319 /nfs/dbraw/zinc/07/33/19/1269073319.db2.gz JTYAJKNGQJYIDU-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001341616725 1269112419 /nfs/dbraw/zinc/11/24/19/1269112419.db2.gz ARORRCHPXNMQGK-GOSISDBHSA-N 2 1 373.501 0.235 20 0 FCADMP CN(C)Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)no1 ZINC001342727356 1269579040 /nfs/dbraw/zinc/57/90/40/1269579040.db2.gz FNZVMKOEXCTGLF-AGUYFDCRSA-N 2 1 363.462 0.550 20 0 FCADMP CN(C)Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)no1 ZINC001342727356 1269579046 /nfs/dbraw/zinc/57/90/46/1269579046.db2.gz FNZVMKOEXCTGLF-AGUYFDCRSA-N 2 1 363.462 0.550 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC001342777459 1269602387 /nfs/dbraw/zinc/60/23/87/1269602387.db2.gz AYUUXSMXOQDVOB-UHFFFAOYSA-N 2 1 357.458 0.995 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1O ZINC001343606099 1269960948 /nfs/dbraw/zinc/96/09/48/1269960948.db2.gz VEDUGQYMATVVDC-CVEARBPZSA-N 2 1 365.478 0.001 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1O ZINC001343606099 1269960953 /nfs/dbraw/zinc/96/09/53/1269960953.db2.gz VEDUGQYMATVVDC-CVEARBPZSA-N 2 1 365.478 0.001 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001572960769 1270414118 /nfs/dbraw/zinc/41/41/18/1270414118.db2.gz WYBVMYXFQYFLNQ-BZUAXINKSA-N 2 1 370.538 0.647 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001572995086 1270469322 /nfs/dbraw/zinc/46/93/22/1270469322.db2.gz HMJUXYYZHAFWLQ-SJORKVTESA-N 2 1 368.522 0.138 20 0 FCADMP O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607785 1278566996 /nfs/dbraw/zinc/56/69/96/1278566996.db2.gz AOIAWXRNMRGQLQ-GJZGRUSLSA-N 2 1 353.532 0.967 20 0 FCADMP CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH2+]CC2)C1 ZINC001573759948 1270872786 /nfs/dbraw/zinc/87/27/86/1270872786.db2.gz LESHURIABHVMKS-HNNXBMFYSA-N 2 1 363.510 0.558 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573976836 1270970429 /nfs/dbraw/zinc/97/04/29/1270970429.db2.gz JHIFMCFDIWLLEG-CJNGLKHVSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976524 1270970470 /nfs/dbraw/zinc/97/04/70/1270970470.db2.gz XABKOGGEMQNYLY-WFASDCNBSA-N 2 1 358.450 0.543 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976513 1270971247 /nfs/dbraw/zinc/97/12/47/1270971247.db2.gz XABKOGGEMQNYLY-IUODEOHRSA-N 2 1 358.450 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574252494 1271121117 /nfs/dbraw/zinc/12/11/17/1271121117.db2.gz JFWWPKFQFGNVIL-ZDUSSCGKSA-N 2 1 358.450 0.284 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289057 1271165658 /nfs/dbraw/zinc/16/56/58/1271165658.db2.gz VHPAIHUBHIIYFO-WFASDCNBSA-N 2 1 358.450 0.473 20 0 FCADMP C[C@H](CCCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574577176 1271375532 /nfs/dbraw/zinc/37/55/32/1271375532.db2.gz QBKYEZJVHYOJEN-CZUORRHYSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595722 1271395566 /nfs/dbraw/zinc/39/55/66/1271395566.db2.gz FVVVGCCRYOPHEA-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574672214 1271475088 /nfs/dbraw/zinc/47/50/88/1271475088.db2.gz UVLQRKAZESZMLX-UONOGXRCSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574672212 1271475915 /nfs/dbraw/zinc/47/59/15/1271475915.db2.gz UVLQRKAZESZMLX-KBPBESRZSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574673127 1271477001 /nfs/dbraw/zinc/47/70/01/1271477001.db2.gz ZGZQYEALAZBKGW-CYBMUJFWSA-N 2 1 374.493 0.968 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873966 1271624193 /nfs/dbraw/zinc/62/41/93/1271624193.db2.gz PDNSSZOWLTVCCL-XJKSGUPXSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873316 1271624976 /nfs/dbraw/zinc/62/49/76/1271624976.db2.gz MVIXVWOKBKSGBU-XJKSGUPXSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873963 1271625889 /nfs/dbraw/zinc/62/58/89/1271625889.db2.gz PDNSSZOWLTVCCL-CJNGLKHVSA-N 2 1 372.477 0.721 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877971 1271639233 /nfs/dbraw/zinc/63/92/33/1271639233.db2.gz UEVAUSKCGQCOOV-WCQYABFASA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886296 1271644972 /nfs/dbraw/zinc/64/49/72/1271644972.db2.gz MRRPINKTSWOPCN-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886296 1271644982 /nfs/dbraw/zinc/64/49/82/1271644982.db2.gz MRRPINKTSWOPCN-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886296 1271644990 /nfs/dbraw/zinc/64/49/90/1271644990.db2.gz MRRPINKTSWOPCN-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886296 1271645000 /nfs/dbraw/zinc/64/50/00/1271645000.db2.gz MRRPINKTSWOPCN-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575365824 1272008012 /nfs/dbraw/zinc/00/80/12/1272008012.db2.gz GPRWKQJVZJFDLI-CABCVRRESA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575365824 1272008017 /nfs/dbraw/zinc/00/80/17/1272008017.db2.gz GPRWKQJVZJFDLI-CABCVRRESA-N 2 1 364.494 0.778 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566662 1272202398 /nfs/dbraw/zinc/20/23/98/1272202398.db2.gz LEVLMSKUBYQHLT-JKSUJKDBSA-N 2 1 364.494 0.144 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567129 1272203760 /nfs/dbraw/zinc/20/37/60/1272203760.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 2 1 364.494 0.238 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567129 1272203764 /nfs/dbraw/zinc/20/37/64/1272203764.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 2 1 364.494 0.238 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567129 1272203769 /nfs/dbraw/zinc/20/37/69/1272203769.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 2 1 364.494 0.238 20 0 FCADMP C[C@@H]([NH3+])c1nc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cs1 ZINC001576176917 1272979012 /nfs/dbraw/zinc/97/90/12/1272979012.db2.gz FJTOHOXDIIBLMF-MFKMUULPSA-N 2 1 351.476 0.717 20 0 FCADMP C[C@@H]([NH3+])c1nc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cs1 ZINC001576176917 1272979013 /nfs/dbraw/zinc/97/90/13/1272979013.db2.gz FJTOHOXDIIBLMF-MFKMUULPSA-N 2 1 351.476 0.717 20 0 FCADMP C[C@H]([NH3+])c1nc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cs1 ZINC001576176916 1272979495 /nfs/dbraw/zinc/97/94/95/1272979495.db2.gz FJTOHOXDIIBLMF-GXFFZTMASA-N 2 1 351.476 0.717 20 0 FCADMP C[C@H]([NH3+])c1nc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cs1 ZINC001576176916 1272979508 /nfs/dbraw/zinc/97/95/08/1272979508.db2.gz FJTOHOXDIIBLMF-GXFFZTMASA-N 2 1 351.476 0.717 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001576254785 1273036544 /nfs/dbraw/zinc/03/65/44/1273036544.db2.gz FTIOUOCLDWLPGF-HIFRSBDPSA-N 2 1 372.477 0.673 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254731 1273037495 /nfs/dbraw/zinc/03/74/95/1273037495.db2.gz FAYGTZQGAPOZGW-KBPBESRZSA-N 2 1 372.477 0.530 20 0 FCADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCN(c3cnccn3)CC2)[C@H]2CCC[NH2+][C@H]21 ZINC001576382824 1273214637 /nfs/dbraw/zinc/21/46/37/1273214637.db2.gz DZIHGPZHFWXHDS-BMGDILEWSA-N 2 1 358.490 0.491 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498134 1273358158 /nfs/dbraw/zinc/35/81/58/1273358158.db2.gz JOJWDCRLBBXWEC-ZBFHGGJFSA-N 2 1 357.462 0.897 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@]2(C)C1 ZINC001576521397 1273405224 /nfs/dbraw/zinc/40/52/24/1273405224.db2.gz FTDMPWBLTOWPGN-KYJSFNMBSA-N 2 1 366.485 0.807 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001576521397 1273405236 /nfs/dbraw/zinc/40/52/36/1273405236.db2.gz FTDMPWBLTOWPGN-KYJSFNMBSA-N 2 1 366.485 0.807 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001576521397 1273405243 /nfs/dbraw/zinc/40/52/43/1273405243.db2.gz FTDMPWBLTOWPGN-KYJSFNMBSA-N 2 1 366.485 0.807 20 0 FCADMP C[C@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001576715145 1273586354 /nfs/dbraw/zinc/58/63/54/1273586354.db2.gz SXJGSYJVSHZVSH-SOUVJXGZSA-N 2 1 366.535 0.536 20 0 FCADMP C[C@@H]1CN(C(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC[N@H+]1CC(C)(C)O ZINC001576760015 1273633653 /nfs/dbraw/zinc/63/36/53/1273633653.db2.gz IBXNVUGNWKOXRR-BEFAXECRSA-N 2 1 353.507 0.575 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788745 1273682511 /nfs/dbraw/zinc/68/25/11/1273682511.db2.gz CPKDEABZROZHAE-GOEBONIOSA-N 2 1 357.462 0.945 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788747 1273683854 /nfs/dbraw/zinc/68/38/54/1273683854.db2.gz CPKDEABZROZHAE-ZBFHGGJFSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576823235 1273745686 /nfs/dbraw/zinc/74/56/86/1273745686.db2.gz BFBSMBAZTBHIJS-HOTGVXAUSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576823235 1273745693 /nfs/dbraw/zinc/74/56/93/1273745693.db2.gz BFBSMBAZTBHIJS-HOTGVXAUSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576859843 1273820810 /nfs/dbraw/zinc/82/08/10/1273820810.db2.gz CNCYOSRJJUVOAV-HOTGVXAUSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576859843 1273820814 /nfs/dbraw/zinc/82/08/14/1273820814.db2.gz CNCYOSRJJUVOAV-HOTGVXAUSA-N 2 1 371.489 0.859 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576882684 1273862955 /nfs/dbraw/zinc/86/29/55/1273862955.db2.gz JAVFIJVPLDGFRT-PBHICJAKSA-N 2 1 364.494 0.333 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001576903579 1273910184 /nfs/dbraw/zinc/91/01/84/1273910184.db2.gz HNEIWOXOVVRLDY-QGZVFWFLSA-N 2 1 363.510 0.303 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001576903579 1273910194 /nfs/dbraw/zinc/91/01/94/1273910194.db2.gz HNEIWOXOVVRLDY-QGZVFWFLSA-N 2 1 363.510 0.303 20 0 FCADMP CC[C@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001576967576 1273992386 /nfs/dbraw/zinc/99/23/86/1273992386.db2.gz SSZYWRWGHUNKGV-MPGHIAIKSA-N 2 1 364.494 0.384 20 0 FCADMP CC[C@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001576967576 1273992393 /nfs/dbraw/zinc/99/23/93/1273992393.db2.gz SSZYWRWGHUNKGV-MPGHIAIKSA-N 2 1 364.494 0.384 20 0 FCADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)C1 ZINC001577507136 1274459988 /nfs/dbraw/zinc/45/99/88/1274459988.db2.gz FTJHPSSZORJFPW-OAHLLOKOSA-N 2 1 363.510 0.413 20 0 FCADMP CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001577530286 1274473913 /nfs/dbraw/zinc/47/39/13/1274473913.db2.gz ISKLGIXGAXAFRQ-HZPDHXFCSA-N 2 1 366.510 0.710 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577557174 1274498893 /nfs/dbraw/zinc/49/88/93/1274498893.db2.gz SVVVDPAELNYYDL-UHFFFAOYSA-N 2 1 372.477 0.951 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577556593 1274499368 /nfs/dbraw/zinc/49/93/68/1274499368.db2.gz AXJKQHXQAAYKJZ-CQSZACIVSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558190 1274501002 /nfs/dbraw/zinc/50/10/02/1274501002.db2.gz CTMUVSZPVDQFLV-KBPBESRZSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558282 1274502020 /nfs/dbraw/zinc/50/20/20/1274502020.db2.gz FMLBKRNVIFRHJH-HNNXBMFYSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558942 1274504654 /nfs/dbraw/zinc/50/46/54/1274504654.db2.gz OLMIAONZZGJMHD-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560906 1274509723 /nfs/dbraw/zinc/50/97/23/1274509723.db2.gz KYCWPIZHMRMPSO-GFCCVEGCSA-N 2 1 360.466 0.498 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577561004 1274510224 /nfs/dbraw/zinc/51/02/24/1274510224.db2.gz NMSRIIKSYCVUIL-UHFFFAOYSA-N 2 1 372.477 0.785 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577561138 1274510533 /nfs/dbraw/zinc/51/05/33/1274510533.db2.gz QXQGWNOUEPDVTI-ZDUSSCGKSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577567673 1274525348 /nfs/dbraw/zinc/52/53/48/1274525348.db2.gz GUILUEWVPJTZLF-AWEZNQCLSA-N 2 1 374.493 0.983 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574122 1274537605 /nfs/dbraw/zinc/53/76/05/1274537605.db2.gz OUIWMCTYINFGPX-ZDUSSCGKSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577672824 1274705873 /nfs/dbraw/zinc/70/58/73/1274705873.db2.gz CUDBJZKRPRXZCU-OAHLLOKOSA-N 2 1 370.461 0.619 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH2+]CC2)C1 ZINC001577763872 1274849325 /nfs/dbraw/zinc/84/93/25/1274849325.db2.gz LKFLJLLWLJILKJ-OAHLLOKOSA-N 2 1 361.494 0.152 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCC[NH2+]CCOC)CC2)CC1 ZINC001577767462 1274853083 /nfs/dbraw/zinc/85/30/83/1274853083.db2.gz LKQKGCSGBFHRGS-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC[NH2+]CCOC)CC2)CC1 ZINC001577767462 1274853092 /nfs/dbraw/zinc/85/30/92/1274853092.db2.gz LKQKGCSGBFHRGS-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001577778231 1274871161 /nfs/dbraw/zinc/87/11/61/1274871161.db2.gz NNTINYUTAATRNH-CVEARBPZSA-N 2 1 355.527 0.816 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC001577780894 1274876647 /nfs/dbraw/zinc/87/66/47/1274876647.db2.gz FYNMMCSVFAQSRF-KFWWJZLASA-N 2 1 363.510 0.743 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849793 1274987446 /nfs/dbraw/zinc/98/74/46/1274987446.db2.gz ZCABLIXBKZWBRI-ZDUSSCGKSA-N 2 1 360.466 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577852072 1274992879 /nfs/dbraw/zinc/99/28/79/1274992879.db2.gz JGELOBCLPKMSGP-ZIAGYGMSSA-N 2 1 372.477 0.532 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852288 1274995949 /nfs/dbraw/zinc/99/59/49/1274995949.db2.gz NVILVGRXRPTTOA-UONOGXRCSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577852393 1274996699 /nfs/dbraw/zinc/99/66/99/1274996699.db2.gz QCYDNGUSMMBUQH-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852236 1274996947 /nfs/dbraw/zinc/99/69/47/1274996947.db2.gz MSWHRHIIPPVSQV-AWEZNQCLSA-N 2 1 372.477 0.949 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852286 1274997440 /nfs/dbraw/zinc/99/74/40/1274997440.db2.gz NVILVGRXRPTTOA-KBPBESRZSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852289 1274998055 /nfs/dbraw/zinc/99/80/55/1274998055.db2.gz NVILVGRXRPTTOA-ZIAGYGMSSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852605 1275000115 /nfs/dbraw/zinc/00/01/15/1275000115.db2.gz VSBMQFYDZFYSLQ-CYBMUJFWSA-N 2 1 358.450 0.347 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577856307 1275013481 /nfs/dbraw/zinc/01/34/81/1275013481.db2.gz WSDKXNKRFHOMHV-UONOGXRCSA-N 2 1 372.477 0.817 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577862509 1275026719 /nfs/dbraw/zinc/02/67/19/1275026719.db2.gz DJSXKBAGJQFEPS-GFCCVEGCSA-N 2 1 360.466 0.498 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862864 1275029330 /nfs/dbraw/zinc/02/93/30/1275029330.db2.gz LYHCPSLLTFJPIB-DZGCQCFKSA-N 2 1 372.477 0.722 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577862605 1275030625 /nfs/dbraw/zinc/03/06/25/1275030625.db2.gz GYDMZPXISQLDDJ-UHFFFAOYSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577862918 1275033793 /nfs/dbraw/zinc/03/37/93/1275033793.db2.gz NEGMGXCGAMQTRL-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863505 1275037668 /nfs/dbraw/zinc/03/76/68/1275037668.db2.gz WWJXSQWPWVFAKP-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863505 1275037677 /nfs/dbraw/zinc/03/76/77/1275037677.db2.gz WWJXSQWPWVFAKP-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577863505 1275037684 /nfs/dbraw/zinc/03/76/84/1275037684.db2.gz WWJXSQWPWVFAKP-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577866976 1275047268 /nfs/dbraw/zinc/04/72/68/1275047268.db2.gz QQBZKSSIXGHNGQ-UHFFFAOYSA-N 2 1 357.462 0.947 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867273 1275050336 /nfs/dbraw/zinc/05/03/36/1275050336.db2.gz ZIFCVVMMAWVRDR-AWEZNQCLSA-N 2 1 372.477 0.936 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577868719 1275052374 /nfs/dbraw/zinc/05/23/74/1275052374.db2.gz FWQSAKXIBACXEE-CVEARBPZSA-N 2 1 364.494 0.302 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577868719 1275052382 /nfs/dbraw/zinc/05/23/82/1275052382.db2.gz FWQSAKXIBACXEE-CVEARBPZSA-N 2 1 364.494 0.302 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869792 1275054428 /nfs/dbraw/zinc/05/44/28/1275054428.db2.gz WYANFNHSDZMPDY-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577949999 1275170184 /nfs/dbraw/zinc/17/01/84/1275170184.db2.gz WDJYMSPJZDWUTR-CYBMUJFWSA-N 2 1 358.450 0.464 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)C[NH3+])CC1 ZINC001578115180 1275417324 /nfs/dbraw/zinc/41/73/24/1275417324.db2.gz ASINTBAJGYKURB-JKSUJKDBSA-N 2 1 366.510 0.535 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001578135875 1275434635 /nfs/dbraw/zinc/43/46/35/1275434635.db2.gz JGTPBYDLGWBEJQ-CYBMUJFWSA-N 2 1 358.450 0.286 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224542 1275523255 /nfs/dbraw/zinc/52/32/55/1275523255.db2.gz OTBFVZBWFCAZQZ-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224542 1275523260 /nfs/dbraw/zinc/52/32/60/1275523260.db2.gz OTBFVZBWFCAZQZ-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224588 1275523588 /nfs/dbraw/zinc/52/35/88/1275523588.db2.gz PJEFAGRSEURIKT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224588 1275523592 /nfs/dbraw/zinc/52/35/92/1275523592.db2.gz PJEFAGRSEURIKT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224588 1275523595 /nfs/dbraw/zinc/52/35/95/1275523595.db2.gz PJEFAGRSEURIKT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224588 1275523599 /nfs/dbraw/zinc/52/35/99/1275523599.db2.gz PJEFAGRSEURIKT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001578331291 1275678817 /nfs/dbraw/zinc/67/88/17/1275678817.db2.gz RKTQEYKJKBYPGJ-BXWFABGCSA-N 2 1 361.538 0.652 20 0 FCADMP CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578404652 1275776307 /nfs/dbraw/zinc/77/63/07/1275776307.db2.gz QTYWITVSDNTZMX-UAGQMJEPSA-N 2 1 358.442 0.755 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC3(CC1)C[NH2+]CCO3)n2C ZINC001578431921 1275805266 /nfs/dbraw/zinc/80/52/66/1275805266.db2.gz DFCMOSLRWVHLGA-UHFFFAOYSA-N 2 1 358.446 0.629 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001578447050 1275836648 /nfs/dbraw/zinc/83/66/48/1275836648.db2.gz MJLPXZTTZLXSGU-SWLSCSKDSA-N 2 1 370.461 0.475 20 0 FCADMP C[N@@H+](CCC[NH3+])CCCn1c(C2CCC2)nnc1N1CCNC(=O)CC1 ZINC001578466501 1275875855 /nfs/dbraw/zinc/87/58/55/1275875855.db2.gz OMZYKJUDYDEPKY-UHFFFAOYSA-N 2 1 363.510 0.543 20 0 FCADMP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578577667 1276009727 /nfs/dbraw/zinc/00/97/27/1276009727.db2.gz YQAXUSNFIBEOQF-CQSZACIVSA-N 2 1 362.482 0.055 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001578609482 1276045635 /nfs/dbraw/zinc/04/56/35/1276045635.db2.gz UIQJUUZFHSMNIY-HOTGVXAUSA-N 2 1 373.505 0.918 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001578610752 1276046641 /nfs/dbraw/zinc/04/66/41/1276046641.db2.gz BNCAOTJSKSRMEW-GUTXKFCHSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001578647730 1276098939 /nfs/dbraw/zinc/09/89/39/1276098939.db2.gz UDYOBTGRDLRDRD-HZPDHXFCSA-N 2 1 350.463 0.491 20 0 FCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001578647730 1276098945 /nfs/dbraw/zinc/09/89/45/1276098945.db2.gz UDYOBTGRDLRDRD-HZPDHXFCSA-N 2 1 350.463 0.491 20 0 FCADMP C[NH2+]CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578720786 1276194045 /nfs/dbraw/zinc/19/40/45/1276194045.db2.gz JGPZGUWRDJTBLI-INIZCTEOSA-N 2 1 372.473 0.694 20 0 FCADMP C[NH2+]CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578720786 1276194049 /nfs/dbraw/zinc/19/40/49/1276194049.db2.gz JGPZGUWRDJTBLI-INIZCTEOSA-N 2 1 372.473 0.694 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578726578 1276201377 /nfs/dbraw/zinc/20/13/77/1276201377.db2.gz FQNJXMZHSDYQJE-LSDHHAIUSA-N 2 1 350.467 0.260 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578726578 1276201383 /nfs/dbraw/zinc/20/13/83/1276201383.db2.gz FQNJXMZHSDYQJE-LSDHHAIUSA-N 2 1 350.467 0.260 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)C1 ZINC001578807854 1276298058 /nfs/dbraw/zinc/29/80/58/1276298058.db2.gz WYAIDSNCOXILRZ-GJZGRUSLSA-N 2 1 352.479 0.940 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)C1 ZINC001578807854 1276298062 /nfs/dbraw/zinc/29/80/62/1276298062.db2.gz WYAIDSNCOXILRZ-GJZGRUSLSA-N 2 1 352.479 0.940 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H](C)C1 ZINC001578807199 1276298453 /nfs/dbraw/zinc/29/84/53/1276298453.db2.gz CXDUZPZEUYMZIZ-RISCZKNCSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H](C)C1 ZINC001578807199 1276298454 /nfs/dbraw/zinc/29/84/54/1276298454.db2.gz CXDUZPZEUYMZIZ-RISCZKNCSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC001578843467 1276362975 /nfs/dbraw/zinc/36/29/75/1276362975.db2.gz VGZMPECTWZRDAD-PGSNGQOISA-N 2 1 364.490 0.925 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C2 ZINC001578843300 1276364252 /nfs/dbraw/zinc/36/42/52/1276364252.db2.gz ZCYUSSGZNINTKN-BIENJYKASA-N 2 1 374.441 0.796 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578974940 1276524565 /nfs/dbraw/zinc/52/45/65/1276524565.db2.gz XZPJZFZZFLXANH-GFCCVEGCSA-N 2 1 363.491 0.913 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001578976785 1276530084 /nfs/dbraw/zinc/53/00/84/1276530084.db2.gz FNXLHBSNCHRQAD-UHFFFAOYSA-N 2 1 363.491 0.914 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001578976785 1276530091 /nfs/dbraw/zinc/53/00/91/1276530091.db2.gz FNXLHBSNCHRQAD-UHFFFAOYSA-N 2 1 363.491 0.914 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578986006 1276554817 /nfs/dbraw/zinc/55/48/17/1276554817.db2.gz WFVYWPPCANHHOK-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578987362 1276556751 /nfs/dbraw/zinc/55/67/51/1276556751.db2.gz AJMXPRHLYHAIBA-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP COC[C@H]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001578990310 1276563908 /nfs/dbraw/zinc/56/39/08/1276563908.db2.gz QOZQNVLHNAXVCE-OIPACUDHSA-N 2 1 364.494 0.022 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2CC[C@@H]2CC[NH2+]C2)CC1 ZINC001579038589 1276624890 /nfs/dbraw/zinc/62/48/90/1276624890.db2.gz JVOASCPFJPQDLL-KRWDZBQOSA-N 2 1 362.522 0.999 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH2+]C2CC2)CC1 ZINC001579039599 1276626918 /nfs/dbraw/zinc/62/69/18/1276626918.db2.gz WBVBFODKDDFUTG-OAHLLOKOSA-N 2 1 364.494 0.302 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[NH+]1C ZINC001579137040 1276839556 /nfs/dbraw/zinc/83/95/56/1276839556.db2.gz RBCBSMVARDEAAC-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579137040 1276839573 /nfs/dbraw/zinc/83/95/73/1276839573.db2.gz RBCBSMVARDEAAC-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579137040 1276839585 /nfs/dbraw/zinc/83/95/85/1276839585.db2.gz RBCBSMVARDEAAC-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579167311 1276919338 /nfs/dbraw/zinc/91/93/38/1276919338.db2.gz SNQSADZRCINMPI-UHFFFAOYSA-N 2 1 355.446 0.511 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172302 1276927780 /nfs/dbraw/zinc/92/77/80/1276927780.db2.gz PEXJGVACHYEAKX-LBPRGKRZSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172302 1276927786 /nfs/dbraw/zinc/92/77/86/1276927786.db2.gz PEXJGVACHYEAKX-LBPRGKRZSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579172302 1276927790 /nfs/dbraw/zinc/92/77/90/1276927790.db2.gz PEXJGVACHYEAKX-LBPRGKRZSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177190 1276937879 /nfs/dbraw/zinc/93/78/79/1276937879.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177190 1276937885 /nfs/dbraw/zinc/93/78/85/1276937885.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177190 1276937887 /nfs/dbraw/zinc/93/78/87/1276937887.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177151 1276938431 /nfs/dbraw/zinc/93/84/31/1276938431.db2.gz YDXYIOZTWWCSPW-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177151 1276938441 /nfs/dbraw/zinc/93/84/41/1276938441.db2.gz YDXYIOZTWWCSPW-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177151 1276938448 /nfs/dbraw/zinc/93/84/48/1276938448.db2.gz YDXYIOZTWWCSPW-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177151 1276938453 /nfs/dbraw/zinc/93/84/53/1276938453.db2.gz YDXYIOZTWWCSPW-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001579180641 1276947418 /nfs/dbraw/zinc/94/74/18/1276947418.db2.gz TUCCKABNBDGPLO-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1ccccc1-c1nn[nH]n1 ZINC001579180641 1276947424 /nfs/dbraw/zinc/94/74/24/1276947424.db2.gz TUCCKABNBDGPLO-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccccc1-c1nn[nH]n1 ZINC001579180641 1276947427 /nfs/dbraw/zinc/94/74/27/1276947427.db2.gz TUCCKABNBDGPLO-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579262968 1277061669 /nfs/dbraw/zinc/06/16/69/1277061669.db2.gz YFIZABUESKXBRY-MRXNPFEDSA-N 2 1 369.473 0.995 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579322548 1277137324 /nfs/dbraw/zinc/13/73/24/1277137324.db2.gz BBJWYNMKKMNUFU-CYBMUJFWSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579322549 1277137999 /nfs/dbraw/zinc/13/79/99/1277137999.db2.gz BBJWYNMKKMNUFU-ZDUSSCGKSA-N 2 1 370.461 0.641 20 0 FCADMP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326586 1277149735 /nfs/dbraw/zinc/14/97/35/1277149735.db2.gz PRKORLKSQKIAPY-GFCCVEGCSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579326565 1277149864 /nfs/dbraw/zinc/14/98/64/1277149864.db2.gz KLSSXJVGPQNDRD-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327338 1277155591 /nfs/dbraw/zinc/15/55/91/1277155591.db2.gz QWXOBELQOJGMQR-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331794 1277162745 /nfs/dbraw/zinc/16/27/45/1277162745.db2.gz FQWMVIYYTTVQIC-IRXDYDNUSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332050 1277163726 /nfs/dbraw/zinc/16/37/26/1277163726.db2.gz IERCHQKGRSVEOR-WIHSUSGWSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333363 1277168858 /nfs/dbraw/zinc/16/88/58/1277168858.db2.gz QEHDLNDTLBMGSE-RDJZCZTQSA-N 2 1 369.473 0.803 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579334315 1277170919 /nfs/dbraw/zinc/17/09/19/1277170919.db2.gz XBUPNQUDXHPJTM-CQSZACIVSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334491 1277171072 /nfs/dbraw/zinc/17/10/72/1277171072.db2.gz YAVUZGCPIBGKCE-OLZOCXBDSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334491 1277171073 /nfs/dbraw/zinc/17/10/73/1277171073.db2.gz YAVUZGCPIBGKCE-OLZOCXBDSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335709 1277178096 /nfs/dbraw/zinc/17/80/96/1277178096.db2.gz UFHMQHVBGUIEFN-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335709 1277178098 /nfs/dbraw/zinc/17/80/98/1277178098.db2.gz UFHMQHVBGUIEFN-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335709 1277178103 /nfs/dbraw/zinc/17/81/03/1277178103.db2.gz UFHMQHVBGUIEFN-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579335960 1277178126 /nfs/dbraw/zinc/17/81/26/1277178126.db2.gz XHHYROIVKNKACJ-NZBPQXDJSA-N 2 1 368.445 0.012 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339435 1277183103 /nfs/dbraw/zinc/18/31/03/1277183103.db2.gz IERCHQKGRSVEOR-DJIMGWMZSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579339598 1277183684 /nfs/dbraw/zinc/18/36/84/1277183684.db2.gz KHNMWJXQOZHUJI-KFWWJZLASA-N 2 1 355.446 0.555 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579340043 1277185381 /nfs/dbraw/zinc/18/53/81/1277185381.db2.gz PMJKZSAUKJHMEO-KKUMJFAQSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347265 1277201413 /nfs/dbraw/zinc/20/14/13/1277201413.db2.gz ZRBMNXFAUODZMJ-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347265 1277201414 /nfs/dbraw/zinc/20/14/14/1277201414.db2.gz ZRBMNXFAUODZMJ-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347265 1277201415 /nfs/dbraw/zinc/20/14/15/1277201415.db2.gz ZRBMNXFAUODZMJ-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001579348133 1277203311 /nfs/dbraw/zinc/20/33/11/1277203311.db2.gz WRPPXJQDUQNHIF-CQSZACIVSA-N 2 1 351.472 0.937 20 0 FCADMP CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001579348133 1277203313 /nfs/dbraw/zinc/20/33/13/1277203313.db2.gz WRPPXJQDUQNHIF-CQSZACIVSA-N 2 1 351.472 0.937 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353087 1277208407 /nfs/dbraw/zinc/20/84/07/1277208407.db2.gz CVZXKLMHIKDKOJ-BBRMVZONSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358315 1277226615 /nfs/dbraw/zinc/22/66/15/1277226615.db2.gz BSZDFXFPPDWPJV-MRXNPFEDSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359763 1277233714 /nfs/dbraw/zinc/23/37/14/1277233714.db2.gz CLJYCNYBGWTZIX-ZIAGYGMSSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361603 1277238199 /nfs/dbraw/zinc/23/81/99/1277238199.db2.gz OUYPRTDVJYQESS-ZBFHGGJFSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361603 1277238202 /nfs/dbraw/zinc/23/82/02/1277238202.db2.gz OUYPRTDVJYQESS-ZBFHGGJFSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361603 1277238204 /nfs/dbraw/zinc/23/82/04/1277238204.db2.gz OUYPRTDVJYQESS-ZBFHGGJFSA-N 2 1 355.446 0.651 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001579406751 1277288467 /nfs/dbraw/zinc/28/84/67/1277288467.db2.gz PSRWSDHUDBULRG-VKJFTORMSA-N 2 1 364.494 0.430 20 0 FCADMP Cc1c(-c2cc(C[N@@H+]3CCC[C@H]3C(=O)N3CC[NH2+]CC3)on2)cnn1C ZINC001579514028 1277458443 /nfs/dbraw/zinc/45/84/43/1277458443.db2.gz FHNBDZJZSVRJLM-KRWDZBQOSA-N 2 1 358.446 0.780 20 0 FCADMP Cc1c(-c2cc(C[N@H+]3CCC[C@H]3C(=O)N3CC[NH2+]CC3)on2)cnn1C ZINC001579514028 1277458448 /nfs/dbraw/zinc/45/84/48/1277458448.db2.gz FHNBDZJZSVRJLM-KRWDZBQOSA-N 2 1 358.446 0.780 20 0 FCADMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015150 1277990191 /nfs/dbraw/zinc/99/01/91/1277990191.db2.gz NQNHZEMBXOBXIW-JSGCOSHPSA-N 2 1 373.461 0.421 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580270745 1278064385 /nfs/dbraw/zinc/06/43/85/1278064385.db2.gz WIIZFUIKMWHGDD-WCQYABFASA-N 2 1 361.425 0.552 20 0 FCADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001580867562 1279071393 /nfs/dbraw/zinc/07/13/93/1279071393.db2.gz KHYNAEOKEBECBN-IAGOWNOFSA-N 2 1 359.536 0.817 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961620 1279165798 /nfs/dbraw/zinc/16/57/98/1279165798.db2.gz KQRQYAXZUUBRFS-CYBMUJFWSA-N 2 1 358.450 0.605 20 0 FCADMP Cc1cc(N2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580966767 1279168321 /nfs/dbraw/zinc/16/83/21/1279168321.db2.gz MOFYKJWYVAYNEE-CQSZACIVSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968769 1279169890 /nfs/dbraw/zinc/16/98/90/1279169890.db2.gz WUSWBWUEXIYXFA-HNNXBMFYSA-N 2 1 370.461 0.703 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992919 1279198344 /nfs/dbraw/zinc/19/83/44/1279198344.db2.gz BKHRANVDVTWZCT-ZDUSSCGKSA-N 2 1 360.466 0.591 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)C[N@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993454 1279199061 /nfs/dbraw/zinc/19/90/61/1279199061.db2.gz IXLZMFYEPCWVOJ-MRXNPFEDSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994994 1279202676 /nfs/dbraw/zinc/20/26/76/1279202676.db2.gz VFQDDMYGEIQGSK-XJKSGUPXSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002573 1279219554 /nfs/dbraw/zinc/21/95/54/1279219554.db2.gz SGOKKQZKWRFCJO-MOKVOYLWSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004144 1279222773 /nfs/dbraw/zinc/22/27/73/1279222773.db2.gz MPIOUGROSQRMQK-UONOGXRCSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010260 1279236412 /nfs/dbraw/zinc/23/64/12/1279236412.db2.gz IDONKCYAOKOHJG-LBPRGKRZSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010262 1279236600 /nfs/dbraw/zinc/23/66/00/1279236600.db2.gz IFJKMEGATLDITA-IAQYHMDHSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022413 1279253163 /nfs/dbraw/zinc/25/31/63/1279253163.db2.gz YRQKCNSLPWXDRM-AWEZNQCLSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025163 1279257592 /nfs/dbraw/zinc/25/75/92/1279257592.db2.gz QASRCQNHMBZDQE-NHYWBVRUSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(NCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026027 1279259396 /nfs/dbraw/zinc/25/93/96/1279259396.db2.gz ANTXXHAKYMTKTK-INIZCTEOSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NCCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028299 1279264695 /nfs/dbraw/zinc/26/46/95/1279264695.db2.gz PCWWXMINZRYCMI-OKILXGFUSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036239 1279273384 /nfs/dbraw/zinc/27/33/84/1279273384.db2.gz HHFDHXWRXNUZKJ-AXAPSJFSSA-N 2 1 370.461 0.203 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038454 1279275094 /nfs/dbraw/zinc/27/50/94/1279275094.db2.gz MFRPGXLMCGKHQW-XEZPLFJOSA-N 2 1 370.461 0.393 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001715202433 1287346687 /nfs/dbraw/zinc/34/66/87/1287346687.db2.gz UICGNGZOJLSHTM-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581340860 1279723728 /nfs/dbraw/zinc/72/37/28/1279723728.db2.gz VXUPBZJPNPAOKM-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001603477140 1287384530 /nfs/dbraw/zinc/38/45/30/1287384530.db2.gz ZBPHMFLUIZZLLC-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COC3CCOCC3)CC2)CC[N@H+]1C ZINC001716682626 1287386629 /nfs/dbraw/zinc/38/66/29/1287386629.db2.gz RIHXJODVPLDMFG-BFYDXBDKSA-N 2 1 369.506 0.122 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H](O)COC3CCOCC3)CC2)CC[N@H+]1C ZINC001716682627 1287386635 /nfs/dbraw/zinc/38/66/35/1287386635.db2.gz RIHXJODVPLDMFG-HLLBOEOZSA-N 2 1 369.506 0.122 20 0 FCADMP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603482179 1287387917 /nfs/dbraw/zinc/38/79/17/1287387917.db2.gz ZLPDBWWIDSYSNW-KGLIPLIRSA-N 2 1 372.477 0.865 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581563953 1280140913 /nfs/dbraw/zinc/14/09/13/1280140913.db2.gz NCBITTRTBKCMAL-MRXNPFEDSA-N 2 1 366.429 0.762 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581565237 1280144964 /nfs/dbraw/zinc/14/49/64/1280144964.db2.gz FNOCIJVLVHOCRM-UHFFFAOYSA-N 2 1 372.408 0.807 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@@H](O)COC)CC2)CC[N@H+]1C ZINC001717120823 1287407746 /nfs/dbraw/zinc/40/77/46/1287407746.db2.gz KRFWBKDSOVBTHU-HSFUPAIVSA-N 2 1 355.523 0.989 20 0 FCADMP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001717212159 1287412524 /nfs/dbraw/zinc/41/25/24/1287412524.db2.gz QXSFOJSZFQMLFT-NXHRZFHOSA-N 2 1 360.502 0.986 20 0 FCADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001717212159 1287412526 /nfs/dbraw/zinc/41/25/26/1287412526.db2.gz QXSFOJSZFQMLFT-NXHRZFHOSA-N 2 1 360.502 0.986 20 0 FCADMP C[C@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001717212159 1287412533 /nfs/dbraw/zinc/41/25/33/1287412533.db2.gz QXSFOJSZFQMLFT-NXHRZFHOSA-N 2 1 360.502 0.986 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001582100943 1281058265 /nfs/dbraw/zinc/05/82/65/1281058265.db2.gz WKLODBUGVJBLSV-VQFNDLOPSA-N 2 1 367.457 0.509 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001603855009 1287522700 /nfs/dbraw/zinc/52/27/00/1287522700.db2.gz MDMWIDJOOBSUSG-PVUWLOKVSA-N 2 1 369.473 0.995 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001603855009 1287522707 /nfs/dbraw/zinc/52/27/07/1287522707.db2.gz MDMWIDJOOBSUSG-PVUWLOKVSA-N 2 1 369.473 0.995 20 0 FCADMP CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001589683646 1282943188 /nfs/dbraw/zinc/94/31/88/1282943188.db2.gz BAWFUXYFQJHTHD-AWEZNQCLSA-N 2 1 372.477 0.935 20 0 FCADMP CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001589683646 1282943199 /nfs/dbraw/zinc/94/31/99/1282943199.db2.gz BAWFUXYFQJHTHD-AWEZNQCLSA-N 2 1 372.477 0.935 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001604332084 1287608303 /nfs/dbraw/zinc/60/83/03/1287608303.db2.gz KYJOAOMNCRVWRG-ZIAGYGMSSA-N 2 1 372.477 0.935 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001604332084 1287608309 /nfs/dbraw/zinc/60/83/09/1287608309.db2.gz KYJOAOMNCRVWRG-ZIAGYGMSSA-N 2 1 372.477 0.935 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001589813033 1283038396 /nfs/dbraw/zinc/03/83/96/1283038396.db2.gz DSWWDYMUTIQGHT-WFASDCNBSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@]1(O)CC[NH+](Cc2cc(C[N@@H+]3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150471 1283246900 /nfs/dbraw/zinc/24/69/00/1283246900.db2.gz QYABYZLYHIAKNJ-OALUTQOASA-N 2 1 372.473 0.780 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495320 1283624171 /nfs/dbraw/zinc/62/41/71/1283624171.db2.gz VCYNVGNAUVQXBN-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001590618245 1283653352 /nfs/dbraw/zinc/65/33/52/1283653352.db2.gz APKQPWOYAWWTPE-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001590734096 1283770839 /nfs/dbraw/zinc/77/08/39/1283770839.db2.gz XWCWCLMDLFIMEI-OAHLLOKOSA-N 2 1 372.477 0.750 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001590737438 1283780551 /nfs/dbraw/zinc/78/05/51/1283780551.db2.gz WWLMWUHQLALDHZ-MRXNPFEDSA-N 2 1 373.461 0.183 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001590737438 1283780556 /nfs/dbraw/zinc/78/05/56/1283780556.db2.gz WWLMWUHQLALDHZ-MRXNPFEDSA-N 2 1 373.461 0.183 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683027544 1283842124 /nfs/dbraw/zinc/84/21/24/1283842124.db2.gz VIOFNCVLBNIBHB-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683027544 1283842132 /nfs/dbraw/zinc/84/21/32/1283842132.db2.gz VIOFNCVLBNIBHB-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001591038795 1284099907 /nfs/dbraw/zinc/09/99/07/1284099907.db2.gz UNTATUCBKZEPGG-UHFFFAOYSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174894 1284262524 /nfs/dbraw/zinc/26/25/24/1284262524.db2.gz CJYLKKBARWODNN-KBPBESRZSA-N 2 1 370.461 0.546 20 0 FCADMP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001591178501 1284276847 /nfs/dbraw/zinc/27/68/47/1284276847.db2.gz KQGXOSMNELMVOH-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C1CC[NH+](C)CC1 ZINC001591179150 1284278617 /nfs/dbraw/zinc/27/86/17/1284278617.db2.gz BNHOZNHUTPOACI-MRXNPFEDSA-N 2 1 355.446 0.606 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187368 1284298454 /nfs/dbraw/zinc/29/84/54/1284298454.db2.gz RJIFBSIHVQMAKY-DWTRPJMMSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187369 1284299087 /nfs/dbraw/zinc/29/90/87/1284299087.db2.gz RJIFBSIHVQMAKY-YIEVGGLXSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591189343 1284303833 /nfs/dbraw/zinc/30/38/33/1284303833.db2.gz PJNLCSWCKQNWRA-INIZCTEOSA-N 2 1 357.462 0.947 20 0 FCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)c(OC)c1)C2 ZINC001591284296 1284442217 /nfs/dbraw/zinc/44/22/17/1284442217.db2.gz GPIMXFPIZCHXIR-JCGVRSQUSA-N 2 1 372.429 0.588 20 0 FCADMP C[NH+](C)CCC(=O)NCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001604682628 1287729879 /nfs/dbraw/zinc/72/98/79/1287729879.db2.gz GPDQQHHPNISKSC-UHFFFAOYSA-N 2 1 356.434 0.466 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001591760303 1284887910 /nfs/dbraw/zinc/88/79/10/1284887910.db2.gz NWWFSBCDAQWLLT-LZQZEXGQSA-N 2 1 367.457 0.512 20 0 FCADMP Cc1cc(N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000833 1285052728 /nfs/dbraw/zinc/05/27/28/1285052728.db2.gz ZKSSVTCZCIWQEE-FZKQIMNGSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049423 1285094884 /nfs/dbraw/zinc/09/48/84/1285094884.db2.gz UJHHLVARQIJDRA-STQMWFEESA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049400 1285095178 /nfs/dbraw/zinc/09/51/78/1285095178.db2.gz SZJHGIXOKNSQPI-OAHLLOKOSA-N 2 1 358.450 0.393 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593119243 1286014570 /nfs/dbraw/zinc/01/45/70/1286014570.db2.gz KYLFXOLMGJNVIJ-JTDSTZFVSA-N 2 1 367.457 0.702 20 0 FCADMP O=C(c1cccc(-c2nn[nH]n2)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001593349961 1286089191 /nfs/dbraw/zinc/08/91/91/1286089191.db2.gz WUBPYGOCFOJVJN-CALCHBBNSA-N 2 1 367.457 0.908 20 0 FCADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001593507928 1286186948 /nfs/dbraw/zinc/18/69/48/1286186948.db2.gz LYMWYLMGMGEWNR-HLLBOEOZSA-N 2 1 358.446 0.680 20 0 FCADMP C[C@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001707221102 1287062233 /nfs/dbraw/zinc/06/22/33/1287062233.db2.gz DRHVCEBQCXSKCS-KSZLIROESA-N 2 1 353.507 0.650 20 0 FCADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001707221102 1287062242 /nfs/dbraw/zinc/06/22/42/1287062242.db2.gz DRHVCEBQCXSKCS-KSZLIROESA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001707222674 1287067257 /nfs/dbraw/zinc/06/72/57/1287067257.db2.gz GWAGNEKDTXKLRI-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001707222674 1287067267 /nfs/dbraw/zinc/06/72/67/1287067267.db2.gz GWAGNEKDTXKLRI-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001707222674 1287067277 /nfs/dbraw/zinc/06/72/77/1287067277.db2.gz GWAGNEKDTXKLRI-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001604854678 1287799457 /nfs/dbraw/zinc/79/94/57/1287799457.db2.gz RCJVGKKFXXKBMD-OIISXLGYSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001605445365 1287964973 /nfs/dbraw/zinc/96/49/73/1287964973.db2.gz NOUWOYWXHMJUSV-STQMWFEESA-N 2 1 358.450 0.332 20 0 FCADMP Cc1cc(NC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726673 1288063414 /nfs/dbraw/zinc/06/34/14/1288063414.db2.gz JYNRTFQZBQMTLK-BBRMVZONSA-N 2 1 370.461 0.250 20 0 FCADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001720921876 1288274439 /nfs/dbraw/zinc/27/44/39/1288274439.db2.gz IQNOKFUHBOTFRW-YRGRVCCFSA-N 2 1 351.451 0.311 20 0 FCADMP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001720921876 1288274441 /nfs/dbraw/zinc/27/44/41/1288274441.db2.gz IQNOKFUHBOTFRW-YRGRVCCFSA-N 2 1 351.451 0.311 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001721149616 1288300088 /nfs/dbraw/zinc/30/00/88/1288300088.db2.gz SSMYUQHNNGISIF-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829859 1288429915 /nfs/dbraw/zinc/42/99/15/1288429915.db2.gz MYFRFKUJIQIBDI-GJZGRUSLSA-N 2 1 372.477 0.206 20 0 FCADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829859 1288429919 /nfs/dbraw/zinc/42/99/19/1288429919.db2.gz MYFRFKUJIQIBDI-GJZGRUSLSA-N 2 1 372.477 0.206 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001734731948 1288672167 /nfs/dbraw/zinc/67/21/67/1288672167.db2.gz TZFMBBTZVBBDPS-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001734731948 1288672169 /nfs/dbraw/zinc/67/21/69/1288672169.db2.gz TZFMBBTZVBBDPS-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001734731948 1288672171 /nfs/dbraw/zinc/67/21/71/1288672171.db2.gz TZFMBBTZVBBDPS-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001692061761 1289380024 /nfs/dbraw/zinc/38/00/24/1289380024.db2.gz JHZFJZDJPDKRFJ-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001692061761 1289380036 /nfs/dbraw/zinc/38/00/36/1289380036.db2.gz JHZFJZDJPDKRFJ-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001692061761 1289380043 /nfs/dbraw/zinc/38/00/43/1289380043.db2.gz JHZFJZDJPDKRFJ-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001692064287 1289382470 /nfs/dbraw/zinc/38/24/70/1289382470.db2.gz FLKPXGXINLFBAI-IKGGRYGDSA-N 2 1 370.513 0.973 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001692159039 1289410344 /nfs/dbraw/zinc/41/03/44/1289410344.db2.gz FQBJSWFRCFFGSI-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCNC(C)=O)[C@@H]2C)CC[N@H+]1C ZINC001692164475 1289413110 /nfs/dbraw/zinc/41/31/10/1289413110.db2.gz YICOYRHUPZXZSL-LAVFITLUSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCOCCNC(C)=O)[C@@H]2C)CC[NH+]1C ZINC001692164475 1289413118 /nfs/dbraw/zinc/41/31/18/1289413118.db2.gz YICOYRHUPZXZSL-LAVFITLUSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCCNC(C)=O)[C@@H]2C)CC[NH+]1C ZINC001692164475 1289413123 /nfs/dbraw/zinc/41/31/23/1289413123.db2.gz YICOYRHUPZXZSL-LAVFITLUSA-N 2 1 368.522 0.448 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692281231 1289440709 /nfs/dbraw/zinc/44/07/09/1289440709.db2.gz WOEHNPXPMOFLRS-ZACQAIPSSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](CC)CC ZINC001692391031 1289456113 /nfs/dbraw/zinc/45/61/13/1289456113.db2.gz OWSIRYDJESHIIA-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](CC)CC ZINC001692391031 1289456119 /nfs/dbraw/zinc/45/61/19/1289456119.db2.gz OWSIRYDJESHIIA-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001698748775 1289534923 /nfs/dbraw/zinc/53/49/23/1289534923.db2.gz PJRRZKISUNFLCT-SQWLQELKSA-N 2 1 359.536 0.493 20 0 FCADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067834 1289545511 /nfs/dbraw/zinc/54/55/11/1289545511.db2.gz ZVHBCJCDRVEWPG-QRVBRYPASA-N 2 1 371.485 0.332 20 0 FCADMP C[C@H](CC[NH2+]CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699102941 1289546708 /nfs/dbraw/zinc/54/67/08/1289546708.db2.gz WJPNMIWXZGOBHW-JHJVBQTASA-N 2 1 353.492 0.906 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699404001 1289552306 /nfs/dbraw/zinc/55/23/06/1289552306.db2.gz WZXSEWVZRPIFQU-BFHYXJOUSA-N 2 1 355.483 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001699705345 1289562465 /nfs/dbraw/zinc/56/24/65/1289562465.db2.gz LKWHSPWHNYFYRL-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001699705345 1289562474 /nfs/dbraw/zinc/56/24/74/1289562474.db2.gz LKWHSPWHNYFYRL-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001699705345 1289562482 /nfs/dbraw/zinc/56/24/82/1289562482.db2.gz LKWHSPWHNYFYRL-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001699705345 1289562489 /nfs/dbraw/zinc/56/24/89/1289562489.db2.gz LKWHSPWHNYFYRL-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC001699750986 1289565504 /nfs/dbraw/zinc/56/55/04/1289565504.db2.gz JWWFPPWZBZPUAT-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699813645 1289566866 /nfs/dbraw/zinc/56/68/66/1289566866.db2.gz MUTYVNXCABSXTL-QGPMSJSTSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699813645 1289566872 /nfs/dbraw/zinc/56/68/72/1289566872.db2.gz MUTYVNXCABSXTL-QGPMSJSTSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699813645 1289566883 /nfs/dbraw/zinc/56/68/83/1289566883.db2.gz MUTYVNXCABSXTL-QGPMSJSTSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001702197878 1289847988 /nfs/dbraw/zinc/84/79/88/1289847988.db2.gz YUMBOGNYJLWSNY-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739457731 1290033989 /nfs/dbraw/zinc/03/39/89/1290033989.db2.gz CWFMFSGSKZARLQ-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CCC)C[C@@H]1O ZINC001739663046 1290326718 /nfs/dbraw/zinc/32/67/18/1290326718.db2.gz BIVRROLGOJLNCP-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1O ZINC001739663046 1290326728 /nfs/dbraw/zinc/32/67/28/1290326728.db2.gz BIVRROLGOJLNCP-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@@H]1O ZINC001739663046 1290326739 /nfs/dbraw/zinc/32/67/39/1290326739.db2.gz BIVRROLGOJLNCP-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001739714977 1290381455 /nfs/dbraw/zinc/38/14/55/1290381455.db2.gz XBNMGRMLCFXAEA-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001754225991 1290626521 /nfs/dbraw/zinc/62/65/21/1290626521.db2.gz VCGSQKMDKDOTGW-GRYCIOLGSA-N 2 1 354.480 0.301 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300446 1290643545 /nfs/dbraw/zinc/64/35/45/1290643545.db2.gz PXMRRASFCJJQCQ-RRFJBIMHSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300446 1290643554 /nfs/dbraw/zinc/64/35/54/1290643554.db2.gz PXMRRASFCJJQCQ-RRFJBIMHSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300446 1290643561 /nfs/dbraw/zinc/64/35/61/1290643561.db2.gz PXMRRASFCJJQCQ-RRFJBIMHSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC001755300446 1290643572 /nfs/dbraw/zinc/64/35/72/1290643572.db2.gz PXMRRASFCJJQCQ-RRFJBIMHSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)C1 ZINC001757247394 1290750581 /nfs/dbraw/zinc/75/05/81/1290750581.db2.gz SMIWFCULLIPWDY-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001656134506 1291497812 /nfs/dbraw/zinc/49/78/12/1291497812.db2.gz CRVXAYQURICXTR-FVCCEPFGSA-N 2 1 364.412 0.490 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001656842504 1291566574 /nfs/dbraw/zinc/56/65/74/1291566574.db2.gz AZBYNAODKCEYFC-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001656842504 1291566578 /nfs/dbraw/zinc/56/65/78/1291566578.db2.gz AZBYNAODKCEYFC-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001656842504 1291566580 /nfs/dbraw/zinc/56/65/80/1291566580.db2.gz AZBYNAODKCEYFC-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC001658106239 1291618998 /nfs/dbraw/zinc/61/89/98/1291618998.db2.gz PMEUCMUITPEYRK-INIZCTEOSA-N 2 1 358.527 0.831 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC001665657803 1291874170 /nfs/dbraw/zinc/87/41/70/1291874170.db2.gz CWQZMMKHQKKVTP-GOSISDBHSA-N 2 1 351.495 0.324 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001665657803 1291874180 /nfs/dbraw/zinc/87/41/80/1291874180.db2.gz CWQZMMKHQKKVTP-GOSISDBHSA-N 2 1 351.495 0.324 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956302 1292286325 /nfs/dbraw/zinc/28/63/25/1292286325.db2.gz AWPCDSVVEPITOK-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956302 1292286332 /nfs/dbraw/zinc/28/63/32/1292286332.db2.gz AWPCDSVVEPITOK-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001678956302 1292286338 /nfs/dbraw/zinc/28/63/38/1292286338.db2.gz AWPCDSVVEPITOK-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001685085252 1292421769 /nfs/dbraw/zinc/42/17/69/1292421769.db2.gz GZMSBYFKEBOWJL-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001688985190 1294560579 /nfs/dbraw/zinc/56/05/79/1294560579.db2.gz UNHJLTVELVKXIS-ZNMIVQPWSA-N 2 1 364.494 0.357 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001689083856 1294602890 /nfs/dbraw/zinc/60/28/90/1294602890.db2.gz QODSWSLEDQDDCV-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1)C1CCC1 ZINC001689222218 1294679884 /nfs/dbraw/zinc/67/98/84/1294679884.db2.gz GQSDWKFQWZCINE-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)C1CCC1 ZINC001689222218 1294679895 /nfs/dbraw/zinc/67/98/95/1294679895.db2.gz GQSDWKFQWZCINE-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)C1CCC1 ZINC001689222218 1294679906 /nfs/dbraw/zinc/67/99/06/1294679906.db2.gz GQSDWKFQWZCINE-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689229777 1294685047 /nfs/dbraw/zinc/68/50/47/1294685047.db2.gz ANLMGBREOVKLHI-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001689296725 1294723375 /nfs/dbraw/zinc/72/33/75/1294723375.db2.gz XLALOOVQKVMAFO-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001689296725 1294723382 /nfs/dbraw/zinc/72/33/82/1294723382.db2.gz XLALOOVQKVMAFO-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001689296725 1294723388 /nfs/dbraw/zinc/72/33/88/1294723388.db2.gz XLALOOVQKVMAFO-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001689296725 1294723399 /nfs/dbraw/zinc/72/33/99/1294723399.db2.gz XLALOOVQKVMAFO-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CCCNC(=O)C(F)(F)F ZINC001689314986 1294742183 /nfs/dbraw/zinc/74/21/83/1294742183.db2.gz URDMJAZJJFXQDS-NEPJUHHUSA-N 2 1 352.401 0.586 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001690576597 1294872036 /nfs/dbraw/zinc/87/20/36/1294872036.db2.gz DWMIXFDJRGSVBI-NJZAAPMLSA-N 2 1 364.494 0.410 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164719051 720246927 /nfs/dbraw/zinc/24/69/27/720246927.db2.gz KSPZASYEWNUKCA-IBGZPJMESA-N 2 1 361.490 0.812 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164719051 720246947 /nfs/dbraw/zinc/24/69/47/720246947.db2.gz KSPZASYEWNUKCA-IBGZPJMESA-N 2 1 361.490 0.812 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933312 721881105 /nfs/dbraw/zinc/88/11/05/721881105.db2.gz LXIWIKHJQJIXLN-IRXDYDNUSA-N 2 1 360.506 0.822 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933312 721881106 /nfs/dbraw/zinc/88/11/06/721881106.db2.gz LXIWIKHJQJIXLN-IRXDYDNUSA-N 2 1 360.506 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001067535979 837464460 /nfs/dbraw/zinc/46/44/60/837464460.db2.gz JZABRYXHFCOJSM-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067627644 837469749 /nfs/dbraw/zinc/46/97/49/837469749.db2.gz NVPCJUVFKRHWRK-HZPDHXFCSA-N 2 1 356.511 0.353 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067627644 837469755 /nfs/dbraw/zinc/46/97/55/837469755.db2.gz NVPCJUVFKRHWRK-HZPDHXFCSA-N 2 1 356.511 0.353 20 0 FCADMP CC(C)[NH+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067627644 837469763 /nfs/dbraw/zinc/46/97/63/837469763.db2.gz NVPCJUVFKRHWRK-HZPDHXFCSA-N 2 1 356.511 0.353 20 0 FCADMP CC(C)[NH+](C)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067627644 837469770 /nfs/dbraw/zinc/46/97/70/837469770.db2.gz NVPCJUVFKRHWRK-HZPDHXFCSA-N 2 1 356.511 0.353 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070158648 837628336 /nfs/dbraw/zinc/62/83/36/837628336.db2.gz UHLADFNBQMHOQL-PMPSAXMXSA-N 2 1 360.487 0.976 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209052 837634313 /nfs/dbraw/zinc/63/43/13/837634313.db2.gz KLDBZLVGEVKNJB-XHSDSOJGSA-N 2 1 352.458 0.852 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260377 837640492 /nfs/dbraw/zinc/64/04/92/837640492.db2.gz GRRJRHCHYIOPMW-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260377 837640494 /nfs/dbraw/zinc/64/04/94/837640494.db2.gz GRRJRHCHYIOPMW-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260962 837640541 /nfs/dbraw/zinc/64/05/41/837640541.db2.gz VQYWGABIYLRYLE-OWCLPIDISA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260962 837640543 /nfs/dbraw/zinc/64/05/43/837640543.db2.gz VQYWGABIYLRYLE-OWCLPIDISA-N 2 1 350.467 0.137 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001070574376 837659501 /nfs/dbraw/zinc/65/95/01/837659501.db2.gz JTIYPJFWUQVHBN-XJFOESAGSA-N 2 1 350.467 0.591 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001070574376 837659504 /nfs/dbraw/zinc/65/95/04/837659504.db2.gz JTIYPJFWUQVHBN-XJFOESAGSA-N 2 1 350.467 0.591 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001070574376 837659506 /nfs/dbraw/zinc/65/95/06/837659506.db2.gz JTIYPJFWUQVHBN-XJFOESAGSA-N 2 1 350.467 0.591 20 0 FCADMP CC(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001071046955 837718089 /nfs/dbraw/zinc/71/80/89/837718089.db2.gz UHLVDTWEWIATEV-SQNIBIBYSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001071046955 837718101 /nfs/dbraw/zinc/71/81/01/837718101.db2.gz UHLVDTWEWIATEV-SQNIBIBYSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC2CCOCC2)C3)O1 ZINC001072849859 837744718 /nfs/dbraw/zinc/74/47/18/837744718.db2.gz NFJYEKVIKVEQEM-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC2CCOCC2)C3)O1 ZINC001072849859 837744728 /nfs/dbraw/zinc/74/47/28/837744728.db2.gz NFJYEKVIKVEQEM-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC2CCOCC2)C3)O1 ZINC001072849859 837744738 /nfs/dbraw/zinc/74/47/38/837744738.db2.gz NFJYEKVIKVEQEM-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC2CCOCC2)C3)O1 ZINC001072849859 837744747 /nfs/dbraw/zinc/74/47/47/837744747.db2.gz NFJYEKVIKVEQEM-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001099341694 844034473 /nfs/dbraw/zinc/03/44/73/844034473.db2.gz PPMQHGLLDFSYSV-JHJVBQTASA-N 2 1 362.396 0.149 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001099341694 844034479 /nfs/dbraw/zinc/03/44/79/844034479.db2.gz PPMQHGLLDFSYSV-JHJVBQTASA-N 2 1 362.396 0.149 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099344115 844036793 /nfs/dbraw/zinc/03/67/93/844036793.db2.gz XCKCDDDYYDFVDU-ZIAGYGMSSA-N 2 1 359.396 0.995 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186776 844098009 /nfs/dbraw/zinc/09/80/09/844098009.db2.gz FGZPXIPBZAWEEH-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186776 844098020 /nfs/dbraw/zinc/09/80/20/844098020.db2.gz FGZPXIPBZAWEEH-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186776 844098027 /nfs/dbraw/zinc/09/80/27/844098027.db2.gz FGZPXIPBZAWEEH-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186776 844098037 /nfs/dbraw/zinc/09/80/37/844098037.db2.gz FGZPXIPBZAWEEH-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267369 844126112 /nfs/dbraw/zinc/12/61/12/844126112.db2.gz BBLSAOFKVJBBBJ-SUMDDJOVSA-N 2 1 350.507 0.632 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101266860 844126941 /nfs/dbraw/zinc/12/69/41/844126941.db2.gz ZFOBYZQXZBQEFA-QAPCUYQASA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101279549 844131086 /nfs/dbraw/zinc/13/10/86/844131086.db2.gz PZVJNFRJRBVSQE-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101279549 844131097 /nfs/dbraw/zinc/13/10/97/844131097.db2.gz PZVJNFRJRBVSQE-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101279549 844131103 /nfs/dbraw/zinc/13/11/03/844131103.db2.gz PZVJNFRJRBVSQE-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320124 844146236 /nfs/dbraw/zinc/14/62/36/844146236.db2.gz GODYEGZMFHBOLU-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC001101352693 844155787 /nfs/dbraw/zinc/15/57/87/844155787.db2.gz JSIQZAVAPKWRFK-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101352415 844155822 /nfs/dbraw/zinc/15/58/22/844155822.db2.gz FTWPKVKOGUKZJD-GJYPPUQNSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354158 844155899 /nfs/dbraw/zinc/15/58/99/844155899.db2.gz UBZDAMMKNSFNAS-SUMDDJOVSA-N 2 1 352.523 0.831 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363856 844160756 /nfs/dbraw/zinc/16/07/56/844160756.db2.gz CLJWKFOHOMNLBL-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363856 844160761 /nfs/dbraw/zinc/16/07/61/844160761.db2.gz CLJWKFOHOMNLBL-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363856 844160766 /nfs/dbraw/zinc/16/07/66/844160766.db2.gz CLJWKFOHOMNLBL-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101397077 844173424 /nfs/dbraw/zinc/17/34/24/844173424.db2.gz YQBKGPIGSNHWEL-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429791 844184284 /nfs/dbraw/zinc/18/42/84/844184284.db2.gz ADYUMRWZIBAHKN-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429791 844184285 /nfs/dbraw/zinc/18/42/85/844184285.db2.gz ADYUMRWZIBAHKN-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429791 844184287 /nfs/dbraw/zinc/18/42/87/844184287.db2.gz ADYUMRWZIBAHKN-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621209 836701621 /nfs/dbraw/zinc/70/16/21/836701621.db2.gz PURSJYOWGKBAOD-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621209 836701625 /nfs/dbraw/zinc/70/16/25/836701625.db2.gz PURSJYOWGKBAOD-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621209 836701628 /nfs/dbraw/zinc/70/16/28/836701628.db2.gz PURSJYOWGKBAOD-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460436 844193706 /nfs/dbraw/zinc/19/37/06/844193706.db2.gz FOWPVJPJRKROPW-MDZRGWNJSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460436 844193711 /nfs/dbraw/zinc/19/37/11/844193711.db2.gz FOWPVJPJRKROPW-MDZRGWNJSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460436 844193712 /nfs/dbraw/zinc/19/37/12/844193712.db2.gz FOWPVJPJRKROPW-MDZRGWNJSA-N 2 1 350.507 0.491 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061899271 836720083 /nfs/dbraw/zinc/72/00/83/836720083.db2.gz UQHQSLCUWFQMQH-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061899271 836720089 /nfs/dbraw/zinc/72/00/89/836720089.db2.gz UQHQSLCUWFQMQH-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061899271 836720094 /nfs/dbraw/zinc/72/00/94/836720094.db2.gz UQHQSLCUWFQMQH-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101476198 844200856 /nfs/dbraw/zinc/20/08/56/844200856.db2.gz HRPUILNPXDYHGV-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101476198 844200863 /nfs/dbraw/zinc/20/08/63/844200863.db2.gz HRPUILNPXDYHGV-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101476198 844200870 /nfs/dbraw/zinc/20/08/70/844200870.db2.gz HRPUILNPXDYHGV-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[NH+]3CCCC3)CCC2)CC[N@H+]1C ZINC001063228792 836758848 /nfs/dbraw/zinc/75/88/48/836758848.db2.gz JSMSXILWXPLOBN-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075620084 837870378 /nfs/dbraw/zinc/87/03/78/837870378.db2.gz YRXCGIYSLNCANB-ARFHVFGLSA-N 2 1 364.515 0.845 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075620084 837870385 /nfs/dbraw/zinc/87/03/85/837870385.db2.gz YRXCGIYSLNCANB-ARFHVFGLSA-N 2 1 364.515 0.845 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075620084 837870399 /nfs/dbraw/zinc/87/03/99/837870399.db2.gz YRXCGIYSLNCANB-ARFHVFGLSA-N 2 1 364.515 0.845 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075620084 837870409 /nfs/dbraw/zinc/87/04/09/837870409.db2.gz YRXCGIYSLNCANB-ARFHVFGLSA-N 2 1 364.515 0.845 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)O1 ZINC001075940588 837929964 /nfs/dbraw/zinc/92/99/64/837929964.db2.gz XJGZLTQOIAGLGE-YALNPMBYSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)O1 ZINC001075940588 837929971 /nfs/dbraw/zinc/92/99/71/837929971.db2.gz XJGZLTQOIAGLGE-YALNPMBYSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)O1 ZINC001075940588 837929977 /nfs/dbraw/zinc/92/99/77/837929977.db2.gz XJGZLTQOIAGLGE-YALNPMBYSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)O1 ZINC001075940588 837929983 /nfs/dbraw/zinc/92/99/83/837929983.db2.gz XJGZLTQOIAGLGE-YALNPMBYSA-N 2 1 364.515 0.937 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246878 837974284 /nfs/dbraw/zinc/97/42/84/837974284.db2.gz NWSQVEGLLYQYKM-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246878 837974291 /nfs/dbraw/zinc/97/42/91/837974291.db2.gz NWSQVEGLLYQYKM-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246878 837974296 /nfs/dbraw/zinc/97/42/96/837974296.db2.gz NWSQVEGLLYQYKM-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246878 837974301 /nfs/dbraw/zinc/97/43/01/837974301.db2.gz NWSQVEGLLYQYKM-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001076365622 837991279 /nfs/dbraw/zinc/99/12/79/837991279.db2.gz GNCYWDUDIMXKPR-FGTMMUONSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001076365622 837991286 /nfs/dbraw/zinc/99/12/86/837991286.db2.gz GNCYWDUDIMXKPR-FGTMMUONSA-N 2 1 351.491 0.668 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076569513 838017327 /nfs/dbraw/zinc/01/73/27/838017327.db2.gz ZGSVBTWFSKCSTF-ARFHVFGLSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569513 838017338 /nfs/dbraw/zinc/01/73/38/838017338.db2.gz ZGSVBTWFSKCSTF-ARFHVFGLSA-N 2 1 364.515 0.703 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569513 838017347 /nfs/dbraw/zinc/01/73/47/838017347.db2.gz ZGSVBTWFSKCSTF-ARFHVFGLSA-N 2 1 364.515 0.703 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001076575062 838019487 /nfs/dbraw/zinc/01/94/87/838019487.db2.gz YICAHEZBZQEPSU-DLBZAZTESA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001076575062 838019498 /nfs/dbraw/zinc/01/94/98/838019498.db2.gz YICAHEZBZQEPSU-DLBZAZTESA-N 2 1 369.531 0.440 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999095 838204709 /nfs/dbraw/zinc/20/47/09/838204709.db2.gz DJFTWGNLMLUQGL-GVDBMIGSSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999095 838204722 /nfs/dbraw/zinc/20/47/22/838204722.db2.gz DJFTWGNLMLUQGL-GVDBMIGSSA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077081740 838717691 /nfs/dbraw/zinc/71/76/91/838717691.db2.gz IAYIWHYVHIBFAP-BPLDGKMQSA-N 2 1 353.488 0.621 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077081740 838717695 /nfs/dbraw/zinc/71/76/95/838717695.db2.gz IAYIWHYVHIBFAP-BPLDGKMQSA-N 2 1 353.488 0.621 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CCCC[NH+](C)C ZINC001077146170 838767987 /nfs/dbraw/zinc/76/79/87/838767987.db2.gz HTGJDSIGWJNCHD-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CCCC[NH+](C)C ZINC001077146170 838767992 /nfs/dbraw/zinc/76/79/92/838767992.db2.gz HTGJDSIGWJNCHD-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219770 838823331 /nfs/dbraw/zinc/82/33/31/838823331.db2.gz XRGGVMRGNAUVTK-HZPDHXFCSA-N 2 1 364.515 0.723 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219770 838823340 /nfs/dbraw/zinc/82/33/40/838823340.db2.gz XRGGVMRGNAUVTK-HZPDHXFCSA-N 2 1 364.515 0.723 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440320 838968621 /nfs/dbraw/zinc/96/86/21/838968621.db2.gz JLHPVPPVCXCKII-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566982 839042353 /nfs/dbraw/zinc/04/23/53/839042353.db2.gz VYDSCUJGGUBTBZ-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566982 839042362 /nfs/dbraw/zinc/04/23/62/839042362.db2.gz VYDSCUJGGUBTBZ-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566982 839042372 /nfs/dbraw/zinc/04/23/72/839042372.db2.gz VYDSCUJGGUBTBZ-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566982 839042382 /nfs/dbraw/zinc/04/23/82/839042382.db2.gz VYDSCUJGGUBTBZ-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP COCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045134 844394353 /nfs/dbraw/zinc/39/43/53/844394353.db2.gz SNOLSQRZAXYRCK-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP COCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045134 844394359 /nfs/dbraw/zinc/39/43/59/844394359.db2.gz SNOLSQRZAXYRCK-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077765401 839143805 /nfs/dbraw/zinc/14/38/05/839143805.db2.gz MARNVUXFCJIIMC-BZUAXINKSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077765401 839143816 /nfs/dbraw/zinc/14/38/16/839143816.db2.gz MARNVUXFCJIIMC-BZUAXINKSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077777176 839151570 /nfs/dbraw/zinc/15/15/70/839151570.db2.gz AQSCZVCHIIWVHC-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077777176 839151578 /nfs/dbraw/zinc/15/15/78/839151578.db2.gz AQSCZVCHIIWVHC-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077777176 839151584 /nfs/dbraw/zinc/15/15/84/839151584.db2.gz AQSCZVCHIIWVHC-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077777176 839151591 /nfs/dbraw/zinc/15/15/91/839151591.db2.gz AQSCZVCHIIWVHC-FGTMMUONSA-N 2 1 353.507 0.980 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001077778330 839152024 /nfs/dbraw/zinc/15/20/24/839152024.db2.gz DILXFIFGBPIOLU-OPQOLIRYSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2O)cn1 ZINC001077816986 839174777 /nfs/dbraw/zinc/17/47/77/839174777.db2.gz GQXFDBVIUDHRIZ-HZPDHXFCSA-N 2 1 351.495 0.656 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077927706 839234112 /nfs/dbraw/zinc/23/41/12/839234112.db2.gz AXBFBQBGWKHMPP-KBAYOESNSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175060 839382851 /nfs/dbraw/zinc/38/28/51/839382851.db2.gz VMWBLVKMDYYGNA-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175060 839382861 /nfs/dbraw/zinc/38/28/61/839382861.db2.gz VMWBLVKMDYYGNA-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175060 839382875 /nfs/dbraw/zinc/38/28/75/839382875.db2.gz VMWBLVKMDYYGNA-USXIJHARSA-N 2 1 351.878 0.996 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCCC1 ZINC001078182493 839386587 /nfs/dbraw/zinc/38/65/87/839386587.db2.gz XVWQXSKXLQSQAJ-BRWVUGGUSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCCC1 ZINC001078182493 839386599 /nfs/dbraw/zinc/38/65/99/839386599.db2.gz XVWQXSKXLQSQAJ-BRWVUGGUSA-N 2 1 350.463 0.558 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)[nH]1 ZINC001078404979 839458193 /nfs/dbraw/zinc/45/81/93/839458193.db2.gz AQENATXDODWBJF-BPLDGKMQSA-N 2 1 350.467 0.160 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)[nH]1 ZINC001078404979 839458196 /nfs/dbraw/zinc/45/81/96/839458196.db2.gz AQENATXDODWBJF-BPLDGKMQSA-N 2 1 350.467 0.160 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405360 839458221 /nfs/dbraw/zinc/45/82/21/839458221.db2.gz LHCJXTGYCUSHOQ-RBSFLKMASA-N 2 1 351.451 0.425 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405360 839458223 /nfs/dbraw/zinc/45/82/23/839458223.db2.gz LHCJXTGYCUSHOQ-RBSFLKMASA-N 2 1 351.451 0.425 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC001078404057 839458242 /nfs/dbraw/zinc/45/82/42/839458242.db2.gz QGFUKYGMIRDZRM-VNQPRFMTSA-N 2 1 367.519 0.976 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102188609 844438662 /nfs/dbraw/zinc/43/86/62/844438662.db2.gz BVLPGYWSMVENDB-KYJSFNMBSA-N 2 1 350.507 0.681 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079176464 839490264 /nfs/dbraw/zinc/49/02/64/839490264.db2.gz GUEGOJSDMFSONW-GVDBMIGSSA-N 2 1 351.422 0.033 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079176464 839490265 /nfs/dbraw/zinc/49/02/65/839490265.db2.gz GUEGOJSDMFSONW-GVDBMIGSSA-N 2 1 351.422 0.033 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079227337 839495177 /nfs/dbraw/zinc/49/51/77/839495177.db2.gz NWGRXHONNVUXFL-YESZJQIVSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243028 839498070 /nfs/dbraw/zinc/49/80/70/839498070.db2.gz HHHFZJXYIVQRRA-WCXIOVBPSA-N 2 1 351.491 0.258 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079289193 839504257 /nfs/dbraw/zinc/50/42/57/839504257.db2.gz SYEWHHGXMQJHDW-UAGQMJEPSA-N 2 1 351.422 0.033 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079289193 839504263 /nfs/dbraw/zinc/50/42/63/839504263.db2.gz SYEWHHGXMQJHDW-UAGQMJEPSA-N 2 1 351.422 0.033 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698380 839576739 /nfs/dbraw/zinc/57/67/39/839576739.db2.gz ZJCFTAFSETYCOK-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698380 839576746 /nfs/dbraw/zinc/57/67/46/839576746.db2.gz ZJCFTAFSETYCOK-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726189 839581395 /nfs/dbraw/zinc/58/13/95/839581395.db2.gz HRESGKBHDNQWQT-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726189 839581403 /nfs/dbraw/zinc/58/14/03/839581403.db2.gz HRESGKBHDNQWQT-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726189 839581407 /nfs/dbraw/zinc/58/14/07/839581407.db2.gz HRESGKBHDNQWQT-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726189 839581416 /nfs/dbraw/zinc/58/14/16/839581416.db2.gz HRESGKBHDNQWQT-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294217 844459744 /nfs/dbraw/zinc/45/97/44/844459744.db2.gz OTLGRXHRVGDTHU-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311118 839699199 /nfs/dbraw/zinc/69/91/99/839699199.db2.gz RSBXGGSVHYTYEW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311118 839699206 /nfs/dbraw/zinc/69/92/06/839699206.db2.gz RSBXGGSVHYTYEW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311118 839699217 /nfs/dbraw/zinc/69/92/17/839699217.db2.gz RSBXGGSVHYTYEW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311118 839699226 /nfs/dbraw/zinc/69/92/26/839699226.db2.gz RSBXGGSVHYTYEW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382616 839714757 /nfs/dbraw/zinc/71/47/57/839714757.db2.gz VATMLUAZMMQSEX-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080448744 839726363 /nfs/dbraw/zinc/72/63/63/839726363.db2.gz AMVKOSHKHCJONU-SQWLQELKSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080448744 839726365 /nfs/dbraw/zinc/72/63/65/839726365.db2.gz AMVKOSHKHCJONU-SQWLQELKSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080448744 839726368 /nfs/dbraw/zinc/72/63/68/839726368.db2.gz AMVKOSHKHCJONU-SQWLQELKSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080448744 839726371 /nfs/dbraw/zinc/72/63/71/839726371.db2.gz AMVKOSHKHCJONU-SQWLQELKSA-N 2 1 366.531 0.997 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080561129 839746404 /nfs/dbraw/zinc/74/64/04/839746404.db2.gz OMAWKDSJBLRRSW-ZMSDIMECSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080561129 839746409 /nfs/dbraw/zinc/74/64/09/839746409.db2.gz OMAWKDSJBLRRSW-ZMSDIMECSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080561129 839746414 /nfs/dbraw/zinc/74/64/14/839746414.db2.gz OMAWKDSJBLRRSW-ZMSDIMECSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102330111 844468165 /nfs/dbraw/zinc/46/81/65/844468165.db2.gz BZYBTKIYRJDYOI-BZUAXINKSA-N 2 1 361.552 0.691 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754738 839790442 /nfs/dbraw/zinc/79/04/42/839790442.db2.gz XIOMQZCFHQZLMT-JKIFEVAISA-N 2 1 350.507 0.679 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754738 839790454 /nfs/dbraw/zinc/79/04/54/839790454.db2.gz XIOMQZCFHQZLMT-JKIFEVAISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369942 844477300 /nfs/dbraw/zinc/47/73/00/844477300.db2.gz LGHBZANDYDOXPD-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369942 844477307 /nfs/dbraw/zinc/47/73/07/844477307.db2.gz LGHBZANDYDOXPD-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369942 844477312 /nfs/dbraw/zinc/47/73/12/844477312.db2.gz LGHBZANDYDOXPD-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001102378069 844480052 /nfs/dbraw/zinc/48/00/52/844480052.db2.gz MPGHTTXPGKFCFC-OAGGEKHMSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375430 844480671 /nfs/dbraw/zinc/48/06/71/844480671.db2.gz JDEPVHIKFKQACT-HUUCEWRRSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375430 844480675 /nfs/dbraw/zinc/48/06/75/844480675.db2.gz JDEPVHIKFKQACT-HUUCEWRRSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375430 844480680 /nfs/dbraw/zinc/48/06/80/844480680.db2.gz JDEPVHIKFKQACT-HUUCEWRRSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375430 844480684 /nfs/dbraw/zinc/48/06/84/844480684.db2.gz JDEPVHIKFKQACT-HUUCEWRRSA-N 2 1 361.552 0.693 20 0 FCADMP COCCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102452821 844503238 /nfs/dbraw/zinc/50/32/38/844503238.db2.gz LGNGFDCMYPMNGG-HZPDHXFCSA-N 2 1 351.495 0.779 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)C1 ZINC001081949206 840119934 /nfs/dbraw/zinc/11/99/34/840119934.db2.gz DKLCMUZUCFRATK-BHUNQDJPSA-N 2 1 350.463 0.822 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)C1 ZINC001081949206 840119940 /nfs/dbraw/zinc/11/99/40/840119940.db2.gz DKLCMUZUCFRATK-BHUNQDJPSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949573 840120819 /nfs/dbraw/zinc/12/08/19/840120819.db2.gz VRGLPRYPCXHNCB-IAGOWNOFSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949573 840120822 /nfs/dbraw/zinc/12/08/22/840120822.db2.gz VRGLPRYPCXHNCB-IAGOWNOFSA-N 2 1 350.463 0.824 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102475630 844516156 /nfs/dbraw/zinc/51/61/56/844516156.db2.gz XDBYSUWAATUSPO-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)O1 ZINC001082276210 840271914 /nfs/dbraw/zinc/27/19/14/840271914.db2.gz CWQZSMIBHBGIOF-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)O1 ZINC001082276210 840271921 /nfs/dbraw/zinc/27/19/21/840271921.db2.gz CWQZSMIBHBGIOF-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082371460 840360534 /nfs/dbraw/zinc/36/05/34/840360534.db2.gz KFPHMNXCNLSHRI-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082371460 840360547 /nfs/dbraw/zinc/36/05/47/840360547.db2.gz KFPHMNXCNLSHRI-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102497425 844530977 /nfs/dbraw/zinc/53/09/77/844530977.db2.gz SDLWSRCCKLOMFN-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102497425 844530979 /nfs/dbraw/zinc/53/09/79/844530979.db2.gz SDLWSRCCKLOMFN-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102497425 844530981 /nfs/dbraw/zinc/53/09/81/844530981.db2.gz SDLWSRCCKLOMFN-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102497425 844530983 /nfs/dbraw/zinc/53/09/83/844530983.db2.gz SDLWSRCCKLOMFN-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379122 840368628 /nfs/dbraw/zinc/36/86/28/840368628.db2.gz KHBVMVUMHAXADG-ZACQAIPSSA-N 2 1 353.507 0.959 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379122 840368637 /nfs/dbraw/zinc/36/86/37/840368637.db2.gz KHBVMVUMHAXADG-ZACQAIPSSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379122 840368643 /nfs/dbraw/zinc/36/86/43/840368643.db2.gz KHBVMVUMHAXADG-ZACQAIPSSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379122 840368649 /nfs/dbraw/zinc/36/86/49/840368649.db2.gz KHBVMVUMHAXADG-ZACQAIPSSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001102515199 844546305 /nfs/dbraw/zinc/54/63/05/844546305.db2.gz IKJUJDIEIYFQTG-HUUCEWRRSA-N 2 1 350.463 0.454 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccns1 ZINC001082558083 840464956 /nfs/dbraw/zinc/46/49/56/840464956.db2.gz YQXYTQDHVBWBRW-BMFZPTHFSA-N 2 1 362.503 0.907 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082557556 840465363 /nfs/dbraw/zinc/46/53/63/840465363.db2.gz NUUYFJMURUNNAT-ZIAGYGMSSA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082570555 840470592 /nfs/dbraw/zinc/47/05/92/840470592.db2.gz QIGLCVQZZKVDKD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513889 844544346 /nfs/dbraw/zinc/54/43/46/844544346.db2.gz FKYWFKPAGLTNOS-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513889 844544354 /nfs/dbraw/zinc/54/43/54/844544354.db2.gz FKYWFKPAGLTNOS-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513889 844544355 /nfs/dbraw/zinc/54/43/55/844544355.db2.gz FKYWFKPAGLTNOS-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cscn1 ZINC001082653536 840512396 /nfs/dbraw/zinc/51/23/96/840512396.db2.gz PSSOOTAFVBJMJE-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cscn1 ZINC001082653536 840512408 /nfs/dbraw/zinc/51/24/08/840512408.db2.gz PSSOOTAFVBJMJE-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514554 844546591 /nfs/dbraw/zinc/54/65/91/844546591.db2.gz AVVGTILPDCUBFO-HLLBOEOZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514554 844546595 /nfs/dbraw/zinc/54/65/95/844546595.db2.gz AVVGTILPDCUBFO-HLLBOEOZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082653268 840512792 /nfs/dbraw/zinc/51/27/92/840512792.db2.gz CRLNSGYOOAXXEU-VPSOLEHFSA-N 2 1 363.487 0.338 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514554 844546602 /nfs/dbraw/zinc/54/66/02/844546602.db2.gz AVVGTILPDCUBFO-HLLBOEOZSA-N 2 1 350.507 0.539 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1)[NH+](C)C ZINC001082724151 840536436 /nfs/dbraw/zinc/53/64/36/840536436.db2.gz KIWWJAHQTVTGOQ-IIAWOOMASA-N 2 1 354.474 0.770 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1)[NH+](C)C ZINC001082747390 840546085 /nfs/dbraw/zinc/54/60/85/840546085.db2.gz PXEAPMBYVVUQPW-MCIONIFRSA-N 2 1 351.499 0.705 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001082807503 840569511 /nfs/dbraw/zinc/56/95/11/840569511.db2.gz LYXOWQUPLSJBMV-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)CC1 ZINC001083182926 840780144 /nfs/dbraw/zinc/78/01/44/840780144.db2.gz DKQKREYKFBTFCY-DLBZAZTESA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)CC1 ZINC001083182926 840780152 /nfs/dbraw/zinc/78/01/52/840780152.db2.gz DKQKREYKFBTFCY-DLBZAZTESA-N 2 1 364.515 0.939 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579764 844574518 /nfs/dbraw/zinc/57/45/18/844574518.db2.gz OJPVEJGLKQWTKK-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579489 844573972 /nfs/dbraw/zinc/57/39/72/844573972.db2.gz ACDUXYYSGOJMDU-NVXWUHKLSA-N 2 1 350.507 0.683 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248194 840832431 /nfs/dbraw/zinc/83/24/31/840832431.db2.gz VITICJHVEYKFTN-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248194 840832442 /nfs/dbraw/zinc/83/24/42/840832442.db2.gz VITICJHVEYKFTN-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083248194 840832453 /nfs/dbraw/zinc/83/24/53/840832453.db2.gz VITICJHVEYKFTN-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278989 840862119 /nfs/dbraw/zinc/86/21/19/840862119.db2.gz CDVOTILJXNYXBS-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278989 840862136 /nfs/dbraw/zinc/86/21/36/840862136.db2.gz CDVOTILJXNYXBS-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278989 840862148 /nfs/dbraw/zinc/86/21/48/840862148.db2.gz CDVOTILJXNYXBS-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278989 840862160 /nfs/dbraw/zinc/86/21/60/840862160.db2.gz CDVOTILJXNYXBS-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589589 844582779 /nfs/dbraw/zinc/58/27/79/844582779.db2.gz VCWXEYIJYZYVPC-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589589 844582787 /nfs/dbraw/zinc/58/27/87/844582787.db2.gz VCWXEYIJYZYVPC-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589589 844582791 /nfs/dbraw/zinc/58/27/91/844582791.db2.gz VCWXEYIJYZYVPC-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589589 844582793 /nfs/dbraw/zinc/58/27/93/844582793.db2.gz VCWXEYIJYZYVPC-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601306 844591597 /nfs/dbraw/zinc/59/15/97/844591597.db2.gz WJSQMPKYXKXOTD-BZUAXINKSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601306 844591602 /nfs/dbraw/zinc/59/16/02/844591602.db2.gz WJSQMPKYXKXOTD-BZUAXINKSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601306 844591603 /nfs/dbraw/zinc/59/16/03/844591603.db2.gz WJSQMPKYXKXOTD-BZUAXINKSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600632 844592651 /nfs/dbraw/zinc/59/26/51/844592651.db2.gz NUGOMOQJBJGUMB-HZPDHXFCSA-N 2 1 355.527 0.718 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600632 844592660 /nfs/dbraw/zinc/59/26/60/844592660.db2.gz NUGOMOQJBJGUMB-HZPDHXFCSA-N 2 1 355.527 0.718 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600632 844592668 /nfs/dbraw/zinc/59/26/68/844592668.db2.gz NUGOMOQJBJGUMB-HZPDHXFCSA-N 2 1 355.527 0.718 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083455413 841021148 /nfs/dbraw/zinc/02/11/48/841021148.db2.gz BXWSHCBMRCHNML-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083455413 841021154 /nfs/dbraw/zinc/02/11/54/841021154.db2.gz BXWSHCBMRCHNML-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083455413 841021164 /nfs/dbraw/zinc/02/11/64/841021164.db2.gz BXWSHCBMRCHNML-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466247 841037496 /nfs/dbraw/zinc/03/74/96/841037496.db2.gz MJIJLVDXABOGHK-XHSDSOJGSA-N 2 1 350.488 0.189 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466247 841037504 /nfs/dbraw/zinc/03/75/04/841037504.db2.gz MJIJLVDXABOGHK-XHSDSOJGSA-N 2 1 350.488 0.189 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083500760 841082969 /nfs/dbraw/zinc/08/29/69/841082969.db2.gz IAYIWHYVHIBFAP-CFVMTHIKSA-N 2 1 353.488 0.621 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083500760 841082982 /nfs/dbraw/zinc/08/29/82/841082982.db2.gz IAYIWHYVHIBFAP-CFVMTHIKSA-N 2 1 353.488 0.621 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083500761 841083393 /nfs/dbraw/zinc/08/33/93/841083393.db2.gz IAYIWHYVHIBFAP-YUELXQCFSA-N 2 1 353.488 0.621 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083500761 841083404 /nfs/dbraw/zinc/08/34/04/841083404.db2.gz IAYIWHYVHIBFAP-YUELXQCFSA-N 2 1 353.488 0.621 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518631 841113669 /nfs/dbraw/zinc/11/36/69/841113669.db2.gz IZEJBCOLMGAXEC-OIISXLGYSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518631 841113672 /nfs/dbraw/zinc/11/36/72/841113672.db2.gz IZEJBCOLMGAXEC-OIISXLGYSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518631 841113678 /nfs/dbraw/zinc/11/36/78/841113678.db2.gz IZEJBCOLMGAXEC-OIISXLGYSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518631 841113682 /nfs/dbraw/zinc/11/36/82/841113682.db2.gz IZEJBCOLMGAXEC-OIISXLGYSA-N 2 1 366.531 0.825 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563638 841173907 /nfs/dbraw/zinc/17/39/07/841173907.db2.gz YQPZXLPDRRPMDT-BBWFWOEESA-N 2 1 351.491 0.450 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723538 841359708 /nfs/dbraw/zinc/35/97/08/841359708.db2.gz OKRFGYAXGYVYRW-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723538 841359713 /nfs/dbraw/zinc/35/97/13/841359713.db2.gz OKRFGYAXGYVYRW-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723538 841359722 /nfs/dbraw/zinc/35/97/22/841359722.db2.gz OKRFGYAXGYVYRW-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2O)C1 ZINC001083723538 841359727 /nfs/dbraw/zinc/35/97/27/841359727.db2.gz OKRFGYAXGYVYRW-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801173 861198012 /nfs/dbraw/zinc/19/80/12/861198012.db2.gz MGQLLIXABDUPGF-PKOBYXMFSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801173 861198024 /nfs/dbraw/zinc/19/80/24/861198024.db2.gz MGQLLIXABDUPGF-PKOBYXMFSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275801173 861198031 /nfs/dbraw/zinc/19/80/31/861198031.db2.gz MGQLLIXABDUPGF-PKOBYXMFSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275801173 861198042 /nfs/dbraw/zinc/19/80/42/861198042.db2.gz MGQLLIXABDUPGF-PKOBYXMFSA-N 2 1 351.491 0.689 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083887817 841536105 /nfs/dbraw/zinc/53/61/05/841536105.db2.gz MQUHNHBNZQBYSQ-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083887817 841536117 /nfs/dbraw/zinc/53/61/17/841536117.db2.gz MQUHNHBNZQBYSQ-KSZLIROESA-N 2 1 353.507 0.839 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953568 841600047 /nfs/dbraw/zinc/60/00/47/841600047.db2.gz XAJKXHJRIFKRBW-XKQJLSEDSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953568 841600051 /nfs/dbraw/zinc/60/00/51/841600051.db2.gz XAJKXHJRIFKRBW-XKQJLSEDSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953568 841600054 /nfs/dbraw/zinc/60/00/54/841600054.db2.gz XAJKXHJRIFKRBW-XKQJLSEDSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953568 841600060 /nfs/dbraw/zinc/60/00/60/841600060.db2.gz XAJKXHJRIFKRBW-XKQJLSEDSA-N 2 1 350.463 0.549 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833532 861219207 /nfs/dbraw/zinc/21/92/07/861219207.db2.gz JQQRBMNVWLDYPI-BEFAXECRSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054075 841668585 /nfs/dbraw/zinc/66/85/85/841668585.db2.gz VMWBLVKMDYYGNA-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054075 841668591 /nfs/dbraw/zinc/66/85/91/841668591.db2.gz VMWBLVKMDYYGNA-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084054075 841668605 /nfs/dbraw/zinc/66/86/05/841668605.db2.gz VMWBLVKMDYYGNA-UAGQMJEPSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251664 841755656 /nfs/dbraw/zinc/75/56/56/841755656.db2.gz VWXKZCADRZROHC-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251664 841755664 /nfs/dbraw/zinc/75/56/64/841755664.db2.gz VWXKZCADRZROHC-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251664 841755671 /nfs/dbraw/zinc/75/56/71/841755671.db2.gz VWXKZCADRZROHC-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251664 841755675 /nfs/dbraw/zinc/75/56/75/841755675.db2.gz VWXKZCADRZROHC-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450793 841797380 /nfs/dbraw/zinc/79/73/80/841797380.db2.gz ZLRCNQMVKJQEKA-BRWVUGGUSA-N 2 1 353.507 0.912 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CC3CCOCC3)C[C@H]21 ZINC001084722538 841899706 /nfs/dbraw/zinc/89/97/06/841899706.db2.gz TYWQEVYCRAFFKD-QZTJIDSGSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001084722538 841899723 /nfs/dbraw/zinc/89/97/23/841899723.db2.gz TYWQEVYCRAFFKD-QZTJIDSGSA-N 2 1 351.491 0.668 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962402 841970797 /nfs/dbraw/zinc/97/07/97/841970797.db2.gz MZAQNAOHQIOWKR-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962402 841970805 /nfs/dbraw/zinc/97/08/05/841970805.db2.gz MZAQNAOHQIOWKR-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962402 841970809 /nfs/dbraw/zinc/97/08/09/841970809.db2.gz MZAQNAOHQIOWKR-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962403 841971538 /nfs/dbraw/zinc/97/15/38/841971538.db2.gz MZAQNAOHQIOWKR-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962403 841971543 /nfs/dbraw/zinc/97/15/43/841971543.db2.gz MZAQNAOHQIOWKR-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962403 841971549 /nfs/dbraw/zinc/97/15/49/841971549.db2.gz MZAQNAOHQIOWKR-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977736 841978803 /nfs/dbraw/zinc/97/88/03/841978803.db2.gz CUDCKNBZGXFSLL-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977736 841978810 /nfs/dbraw/zinc/97/88/10/841978810.db2.gz CUDCKNBZGXFSLL-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084977736 841978817 /nfs/dbraw/zinc/97/88/17/841978817.db2.gz CUDCKNBZGXFSLL-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084977736 841978821 /nfs/dbraw/zinc/97/88/21/841978821.db2.gz CUDCKNBZGXFSLL-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085331891 842079366 /nfs/dbraw/zinc/07/93/66/842079366.db2.gz CPWBCLBCNIKUAG-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001085422393 842099489 /nfs/dbraw/zinc/09/94/89/842099489.db2.gz RMNVMPMTSHDHQD-BFHYXJOUSA-N 2 1 351.451 0.685 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001085422393 842099500 /nfs/dbraw/zinc/09/95/00/842099500.db2.gz RMNVMPMTSHDHQD-BFHYXJOUSA-N 2 1 351.451 0.685 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001086091044 842120197 /nfs/dbraw/zinc/12/01/97/842120197.db2.gz FXXXBCYIXWUPLH-XPABHHOTSA-N 2 1 350.463 0.006 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001086091488 842120745 /nfs/dbraw/zinc/12/07/45/842120745.db2.gz ANSSUGGADOJDGS-VVLHAWIVSA-N 2 1 350.507 0.824 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001086400428 842130959 /nfs/dbraw/zinc/13/09/59/842130959.db2.gz HAGXUYJNUYNHGG-RGCMKSIDSA-N 2 1 368.503 0.855 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001086400428 842130965 /nfs/dbraw/zinc/13/09/65/842130965.db2.gz HAGXUYJNUYNHGG-RGCMKSIDSA-N 2 1 368.503 0.855 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664618 842145631 /nfs/dbraw/zinc/14/56/31/842145631.db2.gz XANSZHAKFWKSNO-ZMSDIMECSA-N 2 1 350.463 0.997 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664618 842145640 /nfs/dbraw/zinc/14/56/40/842145640.db2.gz XANSZHAKFWKSNO-ZMSDIMECSA-N 2 1 350.463 0.997 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086659982 842146124 /nfs/dbraw/zinc/14/61/24/842146124.db2.gz SKXAWDHMUKTQBF-RRFJBIMHSA-N 2 1 350.463 0.104 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731450 842161550 /nfs/dbraw/zinc/16/15/50/842161550.db2.gz MATYCPIQSWHEND-FAAHXZRKSA-N 2 1 367.519 0.940 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731450 842161563 /nfs/dbraw/zinc/16/15/63/842161563.db2.gz MATYCPIQSWHEND-FAAHXZRKSA-N 2 1 367.519 0.940 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087062910 842259684 /nfs/dbraw/zinc/25/96/84/842259684.db2.gz ADPQYIHXEUSJIL-VNQPRFMTSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083830 842278088 /nfs/dbraw/zinc/27/80/88/842278088.db2.gz URLASKFBXKRMFN-IIAWOOMASA-N 2 1 367.519 0.976 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087726550 842415636 /nfs/dbraw/zinc/41/56/36/842415636.db2.gz KLGGQDIUYCEZRS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087726550 842415640 /nfs/dbraw/zinc/41/56/40/842415640.db2.gz KLGGQDIUYCEZRS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087726550 842415646 /nfs/dbraw/zinc/41/56/46/842415646.db2.gz KLGGQDIUYCEZRS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087726550 842415650 /nfs/dbraw/zinc/41/56/50/842415650.db2.gz KLGGQDIUYCEZRS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920656 842470894 /nfs/dbraw/zinc/47/08/94/842470894.db2.gz WUQMTGRMIIVHNH-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920656 842470904 /nfs/dbraw/zinc/47/09/04/842470904.db2.gz WUQMTGRMIIVHNH-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920656 842470914 /nfs/dbraw/zinc/47/09/14/842470914.db2.gz WUQMTGRMIIVHNH-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920656 842470921 /nfs/dbraw/zinc/47/09/21/842470921.db2.gz WUQMTGRMIIVHNH-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014111 842501074 /nfs/dbraw/zinc/50/10/74/842501074.db2.gz GTAQWDOXIWTIRC-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014111 842501076 /nfs/dbraw/zinc/50/10/76/842501076.db2.gz GTAQWDOXIWTIRC-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014111 842501082 /nfs/dbraw/zinc/50/10/82/842501082.db2.gz GTAQWDOXIWTIRC-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014111 842501084 /nfs/dbraw/zinc/50/10/84/842501084.db2.gz GTAQWDOXIWTIRC-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577629 842617189 /nfs/dbraw/zinc/61/71/89/842617189.db2.gz GFSOJNVKLGKBNL-TUVASFSCSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088577629 842617195 /nfs/dbraw/zinc/61/71/95/842617195.db2.gz GFSOJNVKLGKBNL-TUVASFSCSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088577629 842617201 /nfs/dbraw/zinc/61/72/01/842617201.db2.gz GFSOJNVKLGKBNL-TUVASFSCSA-N 2 1 350.463 0.055 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810105 842682885 /nfs/dbraw/zinc/68/28/85/842682885.db2.gz GDGNCJBDJDBJOC-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810105 842682893 /nfs/dbraw/zinc/68/28/93/842682893.db2.gz GDGNCJBDJDBJOC-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810105 842682897 /nfs/dbraw/zinc/68/28/97/842682897.db2.gz GDGNCJBDJDBJOC-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088810105 842682902 /nfs/dbraw/zinc/68/29/02/842682902.db2.gz GDGNCJBDJDBJOC-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001088817494 842687191 /nfs/dbraw/zinc/68/71/91/842687191.db2.gz SDZSUVBLPUJSQX-FZKCQIBNSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001088817494 842687198 /nfs/dbraw/zinc/68/71/98/842687198.db2.gz SDZSUVBLPUJSQX-FZKCQIBNSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001088817494 842687207 /nfs/dbraw/zinc/68/72/07/842687207.db2.gz SDZSUVBLPUJSQX-FZKCQIBNSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088860205 842697660 /nfs/dbraw/zinc/69/76/60/842697660.db2.gz ZJKYOVJKHZVUST-UXLLHSPISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088860205 842697667 /nfs/dbraw/zinc/69/76/67/842697667.db2.gz ZJKYOVJKHZVUST-UXLLHSPISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088860205 842697676 /nfs/dbraw/zinc/69/76/76/842697676.db2.gz ZJKYOVJKHZVUST-UXLLHSPISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088860205 842697686 /nfs/dbraw/zinc/69/76/86/842697686.db2.gz ZJKYOVJKHZVUST-UXLLHSPISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088860481 842698085 /nfs/dbraw/zinc/69/80/85/842698085.db2.gz NITSVWGHBVNOAL-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088860481 842698090 /nfs/dbraw/zinc/69/80/90/842698090.db2.gz NITSVWGHBVNOAL-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088860481 842698095 /nfs/dbraw/zinc/69/80/95/842698095.db2.gz NITSVWGHBVNOAL-ZNMIVQPWSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCN1CCCC1=O ZINC001088899346 842708987 /nfs/dbraw/zinc/70/89/87/842708987.db2.gz ZZHDNZPBJDMKQQ-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001088983512 842734806 /nfs/dbraw/zinc/73/48/06/842734806.db2.gz AIGLUFSXHIPVHN-OAGGEKHMSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001088983512 842734811 /nfs/dbraw/zinc/73/48/11/842734811.db2.gz AIGLUFSXHIPVHN-OAGGEKHMSA-N 2 1 369.531 0.486 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941353 842776263 /nfs/dbraw/zinc/77/62/63/842776263.db2.gz HEIDYHCTCGQIOY-YESZJQIVSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941353 842776266 /nfs/dbraw/zinc/77/62/66/842776266.db2.gz HEIDYHCTCGQIOY-YESZJQIVSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089941353 842776270 /nfs/dbraw/zinc/77/62/70/842776270.db2.gz HEIDYHCTCGQIOY-YESZJQIVSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091671977 843067981 /nfs/dbraw/zinc/06/79/81/843067981.db2.gz ATCOZMOLVWDZDU-CLCXKQKWSA-N 2 1 350.507 0.905 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721206 843081247 /nfs/dbraw/zinc/08/12/47/843081247.db2.gz WCTRMZKHDYMFNS-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721206 843081261 /nfs/dbraw/zinc/08/12/61/843081261.db2.gz WCTRMZKHDYMFNS-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091721206 843081273 /nfs/dbraw/zinc/08/12/73/843081273.db2.gz WCTRMZKHDYMFNS-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721241 843082198 /nfs/dbraw/zinc/08/21/98/843082198.db2.gz XBEJLKWUHSMZKB-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721241 843082209 /nfs/dbraw/zinc/08/22/09/843082209.db2.gz XBEJLKWUHSMZKB-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721241 843082219 /nfs/dbraw/zinc/08/22/19/843082219.db2.gz XBEJLKWUHSMZKB-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091721241 843082229 /nfs/dbraw/zinc/08/22/29/843082229.db2.gz XBEJLKWUHSMZKB-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809579 843102667 /nfs/dbraw/zinc/10/26/67/843102667.db2.gz LKWNEWIYYVJEFX-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809579 843102672 /nfs/dbraw/zinc/10/26/72/843102672.db2.gz LKWNEWIYYVJEFX-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809579 843102676 /nfs/dbraw/zinc/10/26/76/843102676.db2.gz LKWNEWIYYVJEFX-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302243 843182684 /nfs/dbraw/zinc/18/26/84/843182684.db2.gz UZTMGCSRPHAEOI-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302243 843182692 /nfs/dbraw/zinc/18/26/92/843182692.db2.gz UZTMGCSRPHAEOI-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302243 843182695 /nfs/dbraw/zinc/18/26/95/843182695.db2.gz UZTMGCSRPHAEOI-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092508056 843224583 /nfs/dbraw/zinc/22/45/83/843224583.db2.gz RNOYIFZAICWWSK-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092508056 843224592 /nfs/dbraw/zinc/22/45/92/843224592.db2.gz RNOYIFZAICWWSK-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092508056 843224603 /nfs/dbraw/zinc/22/46/03/843224603.db2.gz RNOYIFZAICWWSK-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092523101 843227120 /nfs/dbraw/zinc/22/71/20/843227120.db2.gz AIXQUYCORRGTBD-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092523101 843227127 /nfs/dbraw/zinc/22/71/27/843227127.db2.gz AIXQUYCORRGTBD-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092523101 843227136 /nfs/dbraw/zinc/22/71/36/843227136.db2.gz AIXQUYCORRGTBD-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092523101 843227141 /nfs/dbraw/zinc/22/71/41/843227141.db2.gz AIXQUYCORRGTBD-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001092618290 843252976 /nfs/dbraw/zinc/25/29/76/843252976.db2.gz IHISZBNVXAVEFN-LVQVYYBASA-N 2 1 359.536 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001092618290 843252986 /nfs/dbraw/zinc/25/29/86/843252986.db2.gz IHISZBNVXAVEFN-LVQVYYBASA-N 2 1 359.536 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001092618290 843252998 /nfs/dbraw/zinc/25/29/98/843252998.db2.gz IHISZBNVXAVEFN-LVQVYYBASA-N 2 1 359.536 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001092618290 843253010 /nfs/dbraw/zinc/25/30/10/843253010.db2.gz IHISZBNVXAVEFN-LVQVYYBASA-N 2 1 359.536 0.445 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092616180 843253429 /nfs/dbraw/zinc/25/34/29/843253429.db2.gz WIKIUCPNYLAEAV-BZUAXINKSA-N 2 1 351.495 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)CC[NH+]1C ZINC001092620391 843255410 /nfs/dbraw/zinc/25/54/10/843255410.db2.gz FMCXGNHTDPERNJ-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001092620391 843255415 /nfs/dbraw/zinc/25/54/15/843255415.db2.gz FMCXGNHTDPERNJ-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)CC[N@H+]1C ZINC001092620391 843255425 /nfs/dbraw/zinc/25/54/25/843255425.db2.gz FMCXGNHTDPERNJ-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP COCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675624 843274433 /nfs/dbraw/zinc/27/44/33/843274433.db2.gz KERFIXVQANVVSS-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675624 843274438 /nfs/dbraw/zinc/27/44/38/843274438.db2.gz KERFIXVQANVVSS-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675624 843274444 /nfs/dbraw/zinc/27/44/44/843274444.db2.gz KERFIXVQANVVSS-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774651 843296589 /nfs/dbraw/zinc/29/65/89/843296589.db2.gz QWJPJOCYISVLLL-HUUCEWRRSA-N 2 1 357.520 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774651 843296601 /nfs/dbraw/zinc/29/66/01/843296601.db2.gz QWJPJOCYISVLLL-HUUCEWRRSA-N 2 1 357.520 0.344 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936815 843348976 /nfs/dbraw/zinc/34/89/76/843348976.db2.gz JPQAGPPRCLMRMC-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193830 843404071 /nfs/dbraw/zinc/40/40/71/843404071.db2.gz MYSKZCPJPJJOJC-MGPQQGTHSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193830 843404075 /nfs/dbraw/zinc/40/40/75/843404075.db2.gz MYSKZCPJPJJOJC-MGPQQGTHSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193830 843404083 /nfs/dbraw/zinc/40/40/83/843404083.db2.gz MYSKZCPJPJJOJC-MGPQQGTHSA-N 2 1 350.467 0.271 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193830 843404088 /nfs/dbraw/zinc/40/40/88/843404088.db2.gz MYSKZCPJPJJOJC-MGPQQGTHSA-N 2 1 350.467 0.271 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC3COC(C)(C)OC3)C2)OCC1=O ZINC001276345446 861420344 /nfs/dbraw/zinc/42/03/44/861420344.db2.gz BNTRMXHRXQWZKS-SFHVURJKSA-N 2 1 355.479 0.250 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094219975 843532691 /nfs/dbraw/zinc/53/26/91/843532691.db2.gz YYTURLARWMQSCW-QLFBSQMISA-N 2 1 352.458 0.383 20 0 FCADMP COCC[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276357503 861427627 /nfs/dbraw/zinc/42/76/27/861427627.db2.gz NCQLPSIGZYZQTN-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP COCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276357503 861427633 /nfs/dbraw/zinc/42/76/33/861427633.db2.gz NCQLPSIGZYZQTN-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP COCC[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276357503 861427638 /nfs/dbraw/zinc/42/76/38/861427638.db2.gz NCQLPSIGZYZQTN-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001094457244 843553929 /nfs/dbraw/zinc/55/39/29/843553929.db2.gz YQNQJJMSZSQREQ-FRQCXROJSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001094457244 843553935 /nfs/dbraw/zinc/55/39/35/843553935.db2.gz YQNQJJMSZSQREQ-FRQCXROJSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001094457244 843553942 /nfs/dbraw/zinc/55/39/42/843553942.db2.gz YQNQJJMSZSQREQ-FRQCXROJSA-N 2 1 350.507 0.953 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450243 843554394 /nfs/dbraw/zinc/55/43/94/843554394.db2.gz HUNVFLILNWEXMZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450243 843554398 /nfs/dbraw/zinc/55/43/98/843554398.db2.gz HUNVFLILNWEXMZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450243 843554406 /nfs/dbraw/zinc/55/44/06/843554406.db2.gz HUNVFLILNWEXMZ-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371459 843911218 /nfs/dbraw/zinc/91/12/18/843911218.db2.gz RNOKXPROMWWXIS-LZLYRXPVSA-N 2 1 355.523 0.773 20 0 FCADMP C[C@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371459 843911221 /nfs/dbraw/zinc/91/12/21/843911221.db2.gz RNOKXPROMWWXIS-LZLYRXPVSA-N 2 1 355.523 0.773 20 0 FCADMP C[C@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371459 843911225 /nfs/dbraw/zinc/91/12/25/843911225.db2.gz RNOKXPROMWWXIS-LZLYRXPVSA-N 2 1 355.523 0.773 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cnns3)CC2)CC[N@@H+]1C ZINC001098371397 843911499 /nfs/dbraw/zinc/91/14/99/843911499.db2.gz OYNMLAGEAYSHGI-CZUORRHYSA-N 2 1 367.519 0.664 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cnns3)CC2)CC[N@H+]1C ZINC001098371397 843911504 /nfs/dbraw/zinc/91/15/04/843911504.db2.gz OYNMLAGEAYSHGI-CZUORRHYSA-N 2 1 367.519 0.664 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3cnns3)CC2)CC[NH+]1C ZINC001098371397 843911510 /nfs/dbraw/zinc/91/15/10/843911510.db2.gz OYNMLAGEAYSHGI-CZUORRHYSA-N 2 1 367.519 0.664 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3cnns3)CC2)CC[NH+]1C ZINC001098371397 843911512 /nfs/dbraw/zinc/91/15/12/843911512.db2.gz OYNMLAGEAYSHGI-CZUORRHYSA-N 2 1 367.519 0.664 20 0 FCADMP COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098672626 843928226 /nfs/dbraw/zinc/92/82/26/843928226.db2.gz GYMBHBDYUGOURK-VNQPRFMTSA-N 2 1 350.467 0.128 20 0 FCADMP COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098672626 843928230 /nfs/dbraw/zinc/92/82/30/843928230.db2.gz GYMBHBDYUGOURK-VNQPRFMTSA-N 2 1 350.467 0.128 20 0 FCADMP CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685208 843929226 /nfs/dbraw/zinc/92/92/26/843929226.db2.gz BPCGYZOLVUCXRL-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685208 843929227 /nfs/dbraw/zinc/92/92/27/843929227.db2.gz BPCGYZOLVUCXRL-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092510 843961085 /nfs/dbraw/zinc/96/10/85/843961085.db2.gz DOIUILGZMOUWNJ-FCEWJHQRSA-N 2 1 350.507 0.953 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001099223136 843978538 /nfs/dbraw/zinc/97/85/38/843978538.db2.gz GBDAEMDLDCCBJI-UPJWGTAASA-N 2 1 362.396 0.292 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001099223136 843978545 /nfs/dbraw/zinc/97/85/45/843978545.db2.gz GBDAEMDLDCCBJI-UPJWGTAASA-N 2 1 362.396 0.292 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782815 844647534 /nfs/dbraw/zinc/64/75/34/844647534.db2.gz QJTYDRDTMHNQGP-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102782815 844647538 /nfs/dbraw/zinc/64/75/38/844647538.db2.gz QJTYDRDTMHNQGP-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102782815 844647539 /nfs/dbraw/zinc/64/75/39/844647539.db2.gz QJTYDRDTMHNQGP-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103086949 844699434 /nfs/dbraw/zinc/69/94/34/844699434.db2.gz YNMXHACOPPCNIY-QGPMSJSTSA-N 2 1 350.507 0.633 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234050 844725912 /nfs/dbraw/zinc/72/59/12/844725912.db2.gz YOACUZFUTWVDJC-NVXWUHKLSA-N 2 1 352.479 0.929 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234050 844725921 /nfs/dbraw/zinc/72/59/21/844725921.db2.gz YOACUZFUTWVDJC-NVXWUHKLSA-N 2 1 352.479 0.929 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103309317 844735185 /nfs/dbraw/zinc/73/51/85/844735185.db2.gz VUOBUOIWTUIVBL-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374593 844744292 /nfs/dbraw/zinc/74/42/92/844744292.db2.gz KGIZYUIVLMMMDN-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103407567 844752072 /nfs/dbraw/zinc/75/20/72/844752072.db2.gz JJYZOXGXSINBHL-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103407567 844752076 /nfs/dbraw/zinc/75/20/76/844752076.db2.gz JJYZOXGXSINBHL-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@H](COCC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001103448574 844759889 /nfs/dbraw/zinc/75/98/89/844759889.db2.gz TVKSEBXPZQDMTK-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103550414 844777833 /nfs/dbraw/zinc/77/78/33/844777833.db2.gz OQROZJSCFUMYMG-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103644457 844793437 /nfs/dbraw/zinc/79/34/37/844793437.db2.gz AJZZPFMDWSQHPT-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103644457 844793445 /nfs/dbraw/zinc/79/34/45/844793445.db2.gz AJZZPFMDWSQHPT-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103644457 844793452 /nfs/dbraw/zinc/79/34/52/844793452.db2.gz AJZZPFMDWSQHPT-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655059 844796262 /nfs/dbraw/zinc/79/62/62/844796262.db2.gz NEHOBCZQWQRKBU-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655059 844796270 /nfs/dbraw/zinc/79/62/70/844796270.db2.gz NEHOBCZQWQRKBU-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCN2CCOCC2)CC1 ZINC001276611502 861499453 /nfs/dbraw/zinc/49/94/53/861499453.db2.gz VQEDUVSYNKYODY-QGZVFWFLSA-N 2 1 352.523 0.489 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103755477 844817212 /nfs/dbraw/zinc/81/72/12/844817212.db2.gz ILNNGPCTTWVIFK-QLFBSQMISA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103755477 844817215 /nfs/dbraw/zinc/81/72/15/844817215.db2.gz ILNNGPCTTWVIFK-QLFBSQMISA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103755477 844817220 /nfs/dbraw/zinc/81/72/20/844817220.db2.gz ILNNGPCTTWVIFK-QLFBSQMISA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103755477 844817222 /nfs/dbraw/zinc/81/72/22/844817222.db2.gz ILNNGPCTTWVIFK-QLFBSQMISA-N 2 1 351.499 0.686 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC1CCOCC1 ZINC001104033655 844856291 /nfs/dbraw/zinc/85/62/91/844856291.db2.gz BJRRZLCTJAHTMD-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC1CCOCC1 ZINC001104033655 844856298 /nfs/dbraw/zinc/85/62/98/844856298.db2.gz BJRRZLCTJAHTMD-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CCO ZINC001104289527 844890708 /nfs/dbraw/zinc/89/07/08/844890708.db2.gz LTCIQZMRUWIYAR-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104362980 844900736 /nfs/dbraw/zinc/90/07/36/844900736.db2.gz SVKHYBFMJLNTKK-ZIAGYGMSSA-N 2 1 351.499 0.515 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105642926 845006831 /nfs/dbraw/zinc/00/68/31/845006831.db2.gz OUOACZCGARFBQY-YKTARERQSA-N 2 1 355.523 0.675 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667279 845013797 /nfs/dbraw/zinc/01/37/97/845013797.db2.gz AFOFIIBBCBKPJK-ZAWLATJESA-N 2 1 355.523 0.677 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)CC[N@H+]1C ZINC001106150973 845115246 /nfs/dbraw/zinc/11/52/46/845115246.db2.gz KFZLOCVOARPEAZ-WCXIOVBPSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106152309 845116089 /nfs/dbraw/zinc/11/60/89/845116089.db2.gz NYLGVVWAUMNDBV-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001106246545 845142085 /nfs/dbraw/zinc/14/20/85/845142085.db2.gz NZVOBUSSLGKPGI-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106248029 845143193 /nfs/dbraw/zinc/14/31/93/845143193.db2.gz HKHJLWUNCBFDTC-KZNAEPCWSA-N 2 1 355.523 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106255736 845144275 /nfs/dbraw/zinc/14/42/75/845144275.db2.gz FOJORSJJDSVKST-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106272321 845146472 /nfs/dbraw/zinc/14/64/72/845146472.db2.gz XUZXKEPQDZQQHM-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106321806 845153555 /nfs/dbraw/zinc/15/35/55/845153555.db2.gz FMMCGDJIKOXQAB-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453022 845177083 /nfs/dbraw/zinc/17/70/83/845177083.db2.gz BNERIBLUOFYRDZ-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106662722 845217126 /nfs/dbraw/zinc/21/71/26/845217126.db2.gz AASNUINXHOSBIC-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106662723 845217154 /nfs/dbraw/zinc/21/71/54/845217154.db2.gz AASNUINXHOSBIC-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106662891 845217770 /nfs/dbraw/zinc/21/77/70/845217770.db2.gz IUMXCIONLVAZME-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001106673368 845221235 /nfs/dbraw/zinc/22/12/35/845221235.db2.gz WRPFBPFGDKKSGD-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106839402 845265041 /nfs/dbraw/zinc/26/50/41/845265041.db2.gz GPJBNOXHOMWMPI-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)CC[N@H+]1C ZINC001107410882 845367582 /nfs/dbraw/zinc/36/75/82/845367582.db2.gz YXWDIVUIHWYAAY-YWTNHNAXSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)CC[NH+]1C ZINC001107410882 845367591 /nfs/dbraw/zinc/36/75/91/845367591.db2.gz YXWDIVUIHWYAAY-YWTNHNAXSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)CC[NH+]1C ZINC001107410882 845367598 /nfs/dbraw/zinc/36/75/98/845367598.db2.gz YXWDIVUIHWYAAY-YWTNHNAXSA-N 2 1 353.507 0.696 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001107424578 845369170 /nfs/dbraw/zinc/36/91/70/845369170.db2.gz WCFKUUWCXZMFOX-HDMKZQKVSA-N 2 1 356.486 0.773 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438755 845373210 /nfs/dbraw/zinc/37/32/10/845373210.db2.gz IFKKWETZRCJLDF-HHXXYDBFSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107546563 845395462 /nfs/dbraw/zinc/39/54/62/845395462.db2.gz HUGWUGOUXUVICA-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107546563 845395471 /nfs/dbraw/zinc/39/54/71/845395471.db2.gz HUGWUGOUXUVICA-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107546563 845395480 /nfs/dbraw/zinc/39/54/80/845395480.db2.gz HUGWUGOUXUVICA-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107593451 845404304 /nfs/dbraw/zinc/40/43/04/845404304.db2.gz MTVRUKSDOAQTRM-SZVBFZGTSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629369 845411733 /nfs/dbraw/zinc/41/17/33/845411733.db2.gz BTSMVIAJRRVWAV-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629369 845411741 /nfs/dbraw/zinc/41/17/41/845411741.db2.gz BTSMVIAJRRVWAV-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629369 845411745 /nfs/dbraw/zinc/41/17/45/845411745.db2.gz BTSMVIAJRRVWAV-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632100 845411994 /nfs/dbraw/zinc/41/19/94/845411994.db2.gz QJNPGADAVNWPFY-YQVWRLOYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632100 845411998 /nfs/dbraw/zinc/41/19/98/845411998.db2.gz QJNPGADAVNWPFY-YQVWRLOYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632100 845412000 /nfs/dbraw/zinc/41/20/00/845412000.db2.gz QJNPGADAVNWPFY-YQVWRLOYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672843 845711600 /nfs/dbraw/zinc/71/16/00/845711600.db2.gz WAEAKNZLEGUGNB-FZKCQIBNSA-N 2 1 354.495 0.201 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672843 845711605 /nfs/dbraw/zinc/71/16/05/845711605.db2.gz WAEAKNZLEGUGNB-FZKCQIBNSA-N 2 1 354.495 0.201 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848166 845747044 /nfs/dbraw/zinc/74/70/44/845747044.db2.gz ZKJMMWQECRDOKW-IKGGRYGDSA-N 2 1 355.479 0.093 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848166 845747046 /nfs/dbraw/zinc/74/70/46/845747046.db2.gz ZKJMMWQECRDOKW-IKGGRYGDSA-N 2 1 355.479 0.093 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cc(Cl)cn1 ZINC001109980186 845772092 /nfs/dbraw/zinc/77/20/92/845772092.db2.gz LMMZGQKUZSHOFS-PMPSAXMXSA-N 2 1 369.897 0.836 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cc(Cl)cn1 ZINC001109980186 845772096 /nfs/dbraw/zinc/77/20/96/845772096.db2.gz LMMZGQKUZSHOFS-PMPSAXMXSA-N 2 1 369.897 0.836 20 0 FCADMP COCCCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276795978 861612971 /nfs/dbraw/zinc/61/29/71/861612971.db2.gz SVHJRGOLWBKQQZ-HZPDHXFCSA-N 2 1 355.523 0.990 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001111037349 846019629 /nfs/dbraw/zinc/01/96/29/846019629.db2.gz YDDKZYPABBUDFK-WCVJEAGWSA-N 2 1 353.511 0.756 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001111037349 846019640 /nfs/dbraw/zinc/01/96/40/846019640.db2.gz YDDKZYPABBUDFK-WCVJEAGWSA-N 2 1 353.511 0.756 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001111433209 846110318 /nfs/dbraw/zinc/11/03/18/846110318.db2.gz SUEABPQTRFNQPM-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001111433209 846110325 /nfs/dbraw/zinc/11/03/25/846110325.db2.gz SUEABPQTRFNQPM-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)C1 ZINC001111433209 846110332 /nfs/dbraw/zinc/11/03/32/846110332.db2.gz SUEABPQTRFNQPM-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)C1 ZINC001111433209 846110336 /nfs/dbraw/zinc/11/03/36/846110336.db2.gz SUEABPQTRFNQPM-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001111466496 846118188 /nfs/dbraw/zinc/11/81/88/846118188.db2.gz XMOFWMKUQMINFP-VQHPVUNQSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111466496 846118195 /nfs/dbraw/zinc/11/81/95/846118195.db2.gz XMOFWMKUQMINFP-VQHPVUNQSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111466496 846118203 /nfs/dbraw/zinc/11/82/03/846118203.db2.gz XMOFWMKUQMINFP-VQHPVUNQSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001111466397 846118831 /nfs/dbraw/zinc/11/88/31/846118831.db2.gz UEELQYUWTFCQMD-OAGGEKHMSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001111466397 846118835 /nfs/dbraw/zinc/11/88/35/846118835.db2.gz UEELQYUWTFCQMD-OAGGEKHMSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001111466397 846118843 /nfs/dbraw/zinc/11/88/43/846118843.db2.gz UEELQYUWTFCQMD-OAGGEKHMSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001111466397 846118847 /nfs/dbraw/zinc/11/88/47/846118847.db2.gz UEELQYUWTFCQMD-OAGGEKHMSA-N 2 1 374.551 0.330 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111766853 846196441 /nfs/dbraw/zinc/19/64/41/846196441.db2.gz FKZHEXJXSOBIDG-DAYGRLMNSA-N 2 1 356.486 0.773 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111766853 846196448 /nfs/dbraw/zinc/19/64/48/846196448.db2.gz FKZHEXJXSOBIDG-DAYGRLMNSA-N 2 1 356.486 0.773 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2)[NH+](C)C ZINC001111788996 846206729 /nfs/dbraw/zinc/20/67/29/846206729.db2.gz SENYXCWEFIWPIP-DAYGRLMNSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870915 846240220 /nfs/dbraw/zinc/24/02/20/846240220.db2.gz RWIOLFNMPBQMCI-GJYPPUQNSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870915 846240231 /nfs/dbraw/zinc/24/02/31/846240231.db2.gz RWIOLFNMPBQMCI-GJYPPUQNSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870915 846240241 /nfs/dbraw/zinc/24/02/41/846240241.db2.gz RWIOLFNMPBQMCI-GJYPPUQNSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870915 846240251 /nfs/dbraw/zinc/24/02/51/846240251.db2.gz RWIOLFNMPBQMCI-GJYPPUQNSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873316 846241763 /nfs/dbraw/zinc/24/17/63/846241763.db2.gz VEZKJJAHBYAQDZ-KHYOSLBOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873316 846241765 /nfs/dbraw/zinc/24/17/65/846241765.db2.gz VEZKJJAHBYAQDZ-KHYOSLBOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873316 846241766 /nfs/dbraw/zinc/24/17/66/846241766.db2.gz VEZKJJAHBYAQDZ-KHYOSLBOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCC1CC1)C2 ZINC001111939909 846269139 /nfs/dbraw/zinc/26/91/39/846269139.db2.gz ZNSZMJLEHDZZRL-HKUYNNGSSA-N 2 1 353.507 0.962 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCN(C)C1=O)C2 ZINC001111950795 846272571 /nfs/dbraw/zinc/27/25/71/846272571.db2.gz ALOSEARUMIYJGZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC001111950795 846272584 /nfs/dbraw/zinc/27/25/84/846272584.db2.gz ALOSEARUMIYJGZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001111950795 846272597 /nfs/dbraw/zinc/27/25/97/846272597.db2.gz ALOSEARUMIYJGZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCC[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276874264 861663509 /nfs/dbraw/zinc/66/35/09/861663509.db2.gz GKJXSXLMEORWFB-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP CCOCC[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276874264 861663513 /nfs/dbraw/zinc/66/35/13/861663513.db2.gz GKJXSXLMEORWFB-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP CCOCC[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276874264 861663515 /nfs/dbraw/zinc/66/35/15/861663515.db2.gz GKJXSXLMEORWFB-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112123728 846401745 /nfs/dbraw/zinc/40/17/45/846401745.db2.gz YXAMZARACALBAM-IJLUTSLNSA-N 2 1 366.428 0.830 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112123728 846401748 /nfs/dbraw/zinc/40/17/48/846401748.db2.gz YXAMZARACALBAM-IJLUTSLNSA-N 2 1 366.428 0.830 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112154402 846422590 /nfs/dbraw/zinc/42/25/90/846422590.db2.gz JSXJWGMUYGFHPW-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160109 846425928 /nfs/dbraw/zinc/42/59/28/846425928.db2.gz SKXJCDOHDVNLON-NQBHXWOUSA-N 2 1 352.401 0.298 20 0 FCADMP CN(C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C1CC1 ZINC001112159112 846425963 /nfs/dbraw/zinc/42/59/63/846425963.db2.gz QKXMRCBWJPNDEG-CHWSQXEVSA-N 2 1 364.412 0.538 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166224 846429686 /nfs/dbraw/zinc/42/96/86/846429686.db2.gz KHOMVPLLKCEXDX-QJPTWQEYSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166224 846429690 /nfs/dbraw/zinc/42/96/90/846429690.db2.gz KHOMVPLLKCEXDX-QJPTWQEYSA-N 2 1 350.385 0.196 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112178944 846439433 /nfs/dbraw/zinc/43/94/33/846439433.db2.gz NDWCBFRNDIHTQQ-ZIAGYGMSSA-N 2 1 367.412 0.460 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)C(C)C ZINC001112180827 846440459 /nfs/dbraw/zinc/44/04/59/846440459.db2.gz QZNNDWMFIBILON-BZPMIXESSA-N 2 1 366.428 0.817 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112190234 846448815 /nfs/dbraw/zinc/44/88/15/846448815.db2.gz QXFGVWUXHKMIAZ-JHJVBQTASA-N 2 1 366.428 0.784 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001112196637 846455193 /nfs/dbraw/zinc/45/51/93/846455193.db2.gz WHQMGTCOOIGIBA-QJPTWQEYSA-N 2 1 352.401 0.571 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001112196637 846455201 /nfs/dbraw/zinc/45/52/01/846455201.db2.gz WHQMGTCOOIGIBA-QJPTWQEYSA-N 2 1 352.401 0.571 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205799 846460991 /nfs/dbraw/zinc/46/09/91/846460991.db2.gz AZYZJXDFCYRAQA-IJLUTSLNSA-N 2 1 350.385 0.005 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205799 846460996 /nfs/dbraw/zinc/46/09/96/846460996.db2.gz AZYZJXDFCYRAQA-IJLUTSLNSA-N 2 1 350.385 0.005 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206648 846464342 /nfs/dbraw/zinc/46/43/42/846464342.db2.gz ZHJJGGIQKNQLGY-MGPQQGTHSA-N 2 1 367.412 0.580 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112211964 846468750 /nfs/dbraw/zinc/46/87/50/846468750.db2.gz GEOCOUSDEGLPNL-CHWSQXEVSA-N 2 1 362.400 0.597 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212027 846468886 /nfs/dbraw/zinc/46/88/86/846468886.db2.gz JDCCXQNQMXBZHL-CHWSQXEVSA-N 2 1 366.428 0.784 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212027 846468891 /nfs/dbraw/zinc/46/88/91/846468891.db2.gz JDCCXQNQMXBZHL-CHWSQXEVSA-N 2 1 366.428 0.784 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410665 846502053 /nfs/dbraw/zinc/50/20/53/846502053.db2.gz KACOMMAPIOVZQM-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112529836 846516545 /nfs/dbraw/zinc/51/65/45/846516545.db2.gz RFEGUYYSIVMBLK-AOIWGVFYSA-N 2 1 353.507 0.555 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(CC)CC)C[C@H]32)CC[N@H+]1C ZINC001114303928 846550214 /nfs/dbraw/zinc/55/02/14/846550214.db2.gz HLPNUPDOGKCFNO-ZNFSNMQZSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(CC)CC)C[C@H]32)CC[NH+]1C ZINC001114303928 846550222 /nfs/dbraw/zinc/55/02/22/846550222.db2.gz HLPNUPDOGKCFNO-ZNFSNMQZSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(CC)CC)C[C@H]32)CC[NH+]1C ZINC001114303928 846550227 /nfs/dbraw/zinc/55/02/27/846550227.db2.gz HLPNUPDOGKCFNO-ZNFSNMQZSA-N 2 1 350.507 0.632 20 0 FCADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593266 846563130 /nfs/dbraw/zinc/56/31/30/846563130.db2.gz FQLOIRQKGNICPN-HUUCEWRRSA-N 2 1 354.495 0.250 20 0 FCADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593266 846563140 /nfs/dbraw/zinc/56/31/40/846563140.db2.gz FQLOIRQKGNICPN-HUUCEWRRSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276973281 861716672 /nfs/dbraw/zinc/71/66/72/861716672.db2.gz BQYPOUQNMFJEQB-HKUYNNGSSA-N 2 1 352.523 0.319 20 0 FCADMP C[C@H](CO)C[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276973281 861716683 /nfs/dbraw/zinc/71/66/83/861716683.db2.gz BQYPOUQNMFJEQB-HKUYNNGSSA-N 2 1 352.523 0.319 20 0 FCADMP C[C@H](CO)C[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276973281 861716693 /nfs/dbraw/zinc/71/66/93/861716693.db2.gz BQYPOUQNMFJEQB-HKUYNNGSSA-N 2 1 352.523 0.319 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858684 847186824 /nfs/dbraw/zinc/18/68/24/847186824.db2.gz PPVWYFMJBAFIPG-INMHGKMJSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858684 847186832 /nfs/dbraw/zinc/18/68/32/847186832.db2.gz PPVWYFMJBAFIPG-INMHGKMJSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3sc(=O)[nH]c3Cl)C2)OCC1=O ZINC001277142158 861778165 /nfs/dbraw/zinc/77/81/65/861778165.db2.gz XWZPZNJHPQXISI-HNNXBMFYSA-N 2 1 374.894 0.867 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3sc(=O)[nH]c3Cl)C2)OCC1=O ZINC001277142158 861778172 /nfs/dbraw/zinc/77/81/72/861778172.db2.gz XWZPZNJHPQXISI-HNNXBMFYSA-N 2 1 374.894 0.867 20 0 FCADMP CCOC(=O)c1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)[nH]n1 ZINC001118264305 847353091 /nfs/dbraw/zinc/35/30/91/847353091.db2.gz BWNAOJIKQQQBDP-UHFFFAOYSA-N 2 1 351.451 0.476 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001118308931 847374813 /nfs/dbraw/zinc/37/48/13/847374813.db2.gz KGCCRNSXVJVVKB-INIZCTEOSA-N 2 1 368.547 0.531 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001118308932 847375159 /nfs/dbraw/zinc/37/51/59/847375159.db2.gz KGCCRNSXVJVVKB-MRXNPFEDSA-N 2 1 368.547 0.531 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cn1 ZINC001119764976 847968387 /nfs/dbraw/zinc/96/83/87/847968387.db2.gz DJKSHHAGNAALOO-HOTGVXAUSA-N 2 1 350.467 0.508 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001120570453 848246756 /nfs/dbraw/zinc/24/67/56/848246756.db2.gz SOLJBGWKESSISM-SFHVURJKSA-N 2 1 351.495 0.515 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001121911602 848414924 /nfs/dbraw/zinc/41/49/24/848414924.db2.gz VJWLBGROJQZLEY-KRWDZBQOSA-N 2 1 352.429 0.949 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001121939309 848421868 /nfs/dbraw/zinc/42/18/68/848421868.db2.gz UZPVOPUIAKFXFJ-ZDUSSCGKSA-N 2 1 352.401 0.003 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122055145 848441113 /nfs/dbraw/zinc/44/11/13/848441113.db2.gz GROBAFDWQLTHDW-KBXIAJHMSA-N 2 1 357.520 0.246 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001123663815 848621860 /nfs/dbraw/zinc/62/18/60/848621860.db2.gz HYSKOMXJDCHTDG-BZZMCLGOSA-N 2 1 350.507 0.259 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001123663817 848621892 /nfs/dbraw/zinc/62/18/92/848621892.db2.gz HYSKOMXJDCHTDG-DDBAPUKQSA-N 2 1 350.507 0.259 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001123839299 848643764 /nfs/dbraw/zinc/64/37/64/848643764.db2.gz XAQGEKOIKCMAJO-YESZJQIVSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)CC[N@H+]1C ZINC001127643690 848729907 /nfs/dbraw/zinc/72/99/07/848729907.db2.gz GXQOBCZCDFYANE-UKRRQHHQSA-N 2 1 352.504 0.453 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001127638774 848730066 /nfs/dbraw/zinc/73/00/66/848730066.db2.gz PUDULVGNDWOHLG-NVXWUHKLSA-N 2 1 367.515 0.896 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001127695646 848732337 /nfs/dbraw/zinc/73/23/37/848732337.db2.gz RYHVSAIGYPOKQX-XHSDSOJGSA-N 2 1 350.438 0.788 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001127695646 848732344 /nfs/dbraw/zinc/73/23/44/848732344.db2.gz RYHVSAIGYPOKQX-XHSDSOJGSA-N 2 1 350.438 0.788 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049509 848800151 /nfs/dbraw/zinc/80/01/51/848800151.db2.gz ZCLPAGRLSMJCQT-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049509 848800157 /nfs/dbraw/zinc/80/01/57/848800157.db2.gz ZCLPAGRLSMJCQT-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049509 848800162 /nfs/dbraw/zinc/80/01/62/848800162.db2.gz ZCLPAGRLSMJCQT-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049509 848800166 /nfs/dbraw/zinc/80/01/66/848800166.db2.gz ZCLPAGRLSMJCQT-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084684 848804954 /nfs/dbraw/zinc/80/49/54/848804954.db2.gz SMZDWXRSZXIBLU-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084684 848804962 /nfs/dbraw/zinc/80/49/62/848804962.db2.gz SMZDWXRSZXIBLU-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084684 848804972 /nfs/dbraw/zinc/80/49/72/848804972.db2.gz SMZDWXRSZXIBLU-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129084684 848804977 /nfs/dbraw/zinc/80/49/77/848804977.db2.gz SMZDWXRSZXIBLU-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220464 848819345 /nfs/dbraw/zinc/81/93/45/848819345.db2.gz WUFNHBPGWKFTEP-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001129228140 848819589 /nfs/dbraw/zinc/81/95/89/848819589.db2.gz FNOJOBNLBUXQOP-KGLIPLIRSA-N 2 1 356.421 0.617 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129228102 848819783 /nfs/dbraw/zinc/81/97/83/848819783.db2.gz CEWMDXJHZCJMIO-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129257323 848823203 /nfs/dbraw/zinc/82/32/03/848823203.db2.gz CMQIKYOXOLVUBP-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129257323 848823215 /nfs/dbraw/zinc/82/32/15/848823215.db2.gz CMQIKYOXOLVUBP-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276628 848824505 /nfs/dbraw/zinc/82/45/05/848824505.db2.gz OWPKEZMJAUCCRX-PMPSAXMXSA-N 2 1 352.483 0.386 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267196 848824991 /nfs/dbraw/zinc/82/49/91/848824991.db2.gz YCBAAEBSGPHQBZ-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894887 848909777 /nfs/dbraw/zinc/90/97/77/848909777.db2.gz WPARETGXAKRNRB-BMFZPTHFSA-N 2 1 352.458 0.852 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129899997 848912062 /nfs/dbraw/zinc/91/20/62/848912062.db2.gz WIGGUVULOJQWAP-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129910047 848913027 /nfs/dbraw/zinc/91/30/27/848913027.db2.gz ACADGROWBSBHQJ-HGLTYJKISA-N 2 1 352.870 0.856 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912564 848914222 /nfs/dbraw/zinc/91/42/22/848914222.db2.gz OQDWROWKKHPGAJ-LVQVYYBASA-N 2 1 350.467 0.139 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912564 848914226 /nfs/dbraw/zinc/91/42/26/848914226.db2.gz OQDWROWKKHPGAJ-LVQVYYBASA-N 2 1 350.467 0.139 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C/C(Cl)=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129991868 848926920 /nfs/dbraw/zinc/92/69/20/848926920.db2.gz ABZRTRPABVTIJP-OXJBHRBVSA-N 2 1 361.277 0.890 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)sn1 ZINC001129994385 848927946 /nfs/dbraw/zinc/92/79/46/848927946.db2.gz KYPVSGNTQWOSCA-CABCVRRESA-N 2 1 363.491 0.536 20 0 FCADMP COc1cccc([C@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130182563 848960272 /nfs/dbraw/zinc/96/02/72/848960272.db2.gz NIOIPGGPLUNMSS-KBRIMQKVSA-N 2 1 351.447 0.154 20 0 FCADMP COc1cccc([C@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130182563 848960279 /nfs/dbraw/zinc/96/02/79/848960279.db2.gz NIOIPGGPLUNMSS-KBRIMQKVSA-N 2 1 351.447 0.154 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)O1 ZINC001130184208 848961512 /nfs/dbraw/zinc/96/15/12/848961512.db2.gz GFVFFEFWHWMBGN-HFBAOOFYSA-N 2 1 357.401 0.423 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)O1 ZINC001130184208 848961516 /nfs/dbraw/zinc/96/15/16/848961516.db2.gz GFVFFEFWHWMBGN-HFBAOOFYSA-N 2 1 357.401 0.423 20 0 FCADMP CCCCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184130 848962188 /nfs/dbraw/zinc/96/21/88/848962188.db2.gz BPQPAINMHZPIJK-ARFHVFGLSA-N 2 1 356.511 0.496 20 0 FCADMP CCCCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184130 848962194 /nfs/dbraw/zinc/96/21/94/848962194.db2.gz BPQPAINMHZPIJK-ARFHVFGLSA-N 2 1 356.511 0.496 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001130184326 848962896 /nfs/dbraw/zinc/96/28/96/848962896.db2.gz LVMBTOKHSKAFQK-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001130184326 848962901 /nfs/dbraw/zinc/96/29/01/848962901.db2.gz LVMBTOKHSKAFQK-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)[N@@H+](C)CC)n1 ZINC001130221182 848979004 /nfs/dbraw/zinc/97/90/04/848979004.db2.gz YMEFLDYRNYIMCJ-STQMWFEESA-N 2 1 352.483 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@H+](C)CC)[nH]1 ZINC001130221182 848979013 /nfs/dbraw/zinc/97/90/13/848979013.db2.gz YMEFLDYRNYIMCJ-STQMWFEESA-N 2 1 352.483 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@@H+](C)CC)[nH]1 ZINC001130221182 848979017 /nfs/dbraw/zinc/97/90/17/848979017.db2.gz YMEFLDYRNYIMCJ-STQMWFEESA-N 2 1 352.483 0.633 20 0 FCADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC(N)=O)cc1 ZINC001138871733 849322599 /nfs/dbraw/zinc/32/25/99/849322599.db2.gz OVDUHBFRBMAFRF-UHFFFAOYSA-N 2 1 351.447 0.868 20 0 FCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(N)=O)cc1 ZINC001138871733 849322603 /nfs/dbraw/zinc/32/26/03/849322603.db2.gz OVDUHBFRBMAFRF-UHFFFAOYSA-N 2 1 351.447 0.868 20 0 FCADMP CN(C)CC(=O)N[C@@H]1CCCN(Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC001141181080 849385081 /nfs/dbraw/zinc/38/50/81/849385081.db2.gz OBDPCFQMGVYEOU-MRXNPFEDSA-N 2 1 368.503 0.700 20 0 FCADMP CC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001277712089 862021288 /nfs/dbraw/zinc/02/12/88/862021288.db2.gz HIAVDPHXPQXRKM-MJGOQNOKSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCOCC(F)F)CCCO2)CC[N@H+]1C ZINC001149733448 849645922 /nfs/dbraw/zinc/64/59/22/849645922.db2.gz DVRKVOCYKPOWJX-QLFBSQMISA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCOCC(F)F)CCCO2)CC[NH+]1C ZINC001149733448 849645926 /nfs/dbraw/zinc/64/59/26/849645926.db2.gz DVRKVOCYKPOWJX-QLFBSQMISA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCOCC(F)F)CCCO2)CC[NH+]1C ZINC001149733448 849645931 /nfs/dbraw/zinc/64/59/31/849645931.db2.gz DVRKVOCYKPOWJX-QLFBSQMISA-N 2 1 363.449 0.815 20 0 FCADMP CC(C)OCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149880965 849649245 /nfs/dbraw/zinc/64/92/45/849649245.db2.gz AAKSQMRAIKDVOH-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149880965 849649247 /nfs/dbraw/zinc/64/92/47/849649247.db2.gz AAKSQMRAIKDVOH-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149880965 849649250 /nfs/dbraw/zinc/64/92/50/849649250.db2.gz AAKSQMRAIKDVOH-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149880965 849649252 /nfs/dbraw/zinc/64/92/52/849649252.db2.gz AAKSQMRAIKDVOH-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001151174946 849681009 /nfs/dbraw/zinc/68/10/09/849681009.db2.gz PVBYIVPSVIRDGL-HZPDHXFCSA-N 2 1 357.495 0.339 20 0 FCADMP COCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001151174946 849681011 /nfs/dbraw/zinc/68/10/11/849681011.db2.gz PVBYIVPSVIRDGL-HZPDHXFCSA-N 2 1 357.495 0.339 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032911 850015189 /nfs/dbraw/zinc/01/51/89/850015189.db2.gz XXUZIDLLKWNEMF-HKUYNNGSSA-N 2 1 351.539 0.509 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071317 850015692 /nfs/dbraw/zinc/01/56/92/850015692.db2.gz ZWWFCPSQCAAHBE-MRXNPFEDSA-N 3 1 350.507 0.431 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158389878 850045325 /nfs/dbraw/zinc/04/53/25/850045325.db2.gz KWTWAWVKVXMFIK-ZIAGYGMSSA-N 2 1 355.483 0.048 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001158404621 850047845 /nfs/dbraw/zinc/04/78/45/850047845.db2.gz XUYXUGPYNDRLOA-NWDGAFQWSA-N 2 1 354.480 0.303 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001158412600 850048043 /nfs/dbraw/zinc/04/80/43/850048043.db2.gz QQNKRZZLLYYMKP-GVDBMIGSSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1csc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001158428648 850048430 /nfs/dbraw/zinc/04/84/30/850048430.db2.gz MNLZQGCQKYXYDE-CHWSQXEVSA-N 2 1 353.492 0.826 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001158428849 850049150 /nfs/dbraw/zinc/04/91/50/850049150.db2.gz WOYGSAGZDHLGSK-ZYHUDNBSSA-N 2 1 354.480 0.221 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001158428708 850049382 /nfs/dbraw/zinc/04/93/82/850049382.db2.gz PPHNQEYGCFTRCU-WQVCFCJDSA-N 2 1 350.438 0.788 20 0 FCADMP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C[C@H]2CF)CC1 ZINC001158568224 850060366 /nfs/dbraw/zinc/06/03/66/850060366.db2.gz NOUZBLLGDPTNCR-ZMSDIMECSA-N 3 1 352.498 0.986 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158890897 850083549 /nfs/dbraw/zinc/08/35/49/850083549.db2.gz PUTPWHOGNGFRDG-HNNXBMFYSA-N 3 1 353.511 0.036 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)c1ccsc1)CCO2 ZINC001159235060 850103368 /nfs/dbraw/zinc/10/33/68/850103368.db2.gz QHFHJDLVQUMNKB-GRDNDAEWSA-N 2 1 366.487 0.304 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159292442 850106957 /nfs/dbraw/zinc/10/69/57/850106957.db2.gz XOGKQOGFRHKIKR-HOCLYGCPSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853940 850141351 /nfs/dbraw/zinc/14/13/51/850141351.db2.gz CJTSXNBCOLNEIF-XIRDDKMYSA-N 3 1 350.438 0.556 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853940 850141355 /nfs/dbraw/zinc/14/13/55/850141355.db2.gz CJTSXNBCOLNEIF-XIRDDKMYSA-N 2 1 350.438 0.556 20 0 FCADMP [NH3+]C[C@]1(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C[NH+]2CCC1CC2 ZINC001160520801 850179508 /nfs/dbraw/zinc/17/95/08/850179508.db2.gz UOJNUWQZVZTRKC-KRWDZBQOSA-N 2 1 365.503 0.701 20 0 FCADMP COCc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001160861927 850209210 /nfs/dbraw/zinc/20/92/10/850209210.db2.gz BDPYTMMNEIZWRW-TZMCWYRMSA-N 2 1 356.492 0.605 20 0 FCADMP COCc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001160861927 850209223 /nfs/dbraw/zinc/20/92/23/850209223.db2.gz BDPYTMMNEIZWRW-TZMCWYRMSA-N 2 1 356.492 0.605 20 0 FCADMP CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1C ZINC001160862347 850209888 /nfs/dbraw/zinc/20/98/88/850209888.db2.gz NWVHEASAFFYUPR-ZIAGYGMSSA-N 2 1 352.483 0.254 20 0 FCADMP CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1C ZINC001160862347 850209904 /nfs/dbraw/zinc/20/99/04/850209904.db2.gz NWVHEASAFFYUPR-ZIAGYGMSSA-N 2 1 352.483 0.254 20 0 FCADMP C[NH+]1CCC(CNC(=O)CC[N@H+]2CC[C@H](F)C2)(N2CCOCC2)CC1 ZINC001161816772 850284767 /nfs/dbraw/zinc/28/47/67/850284767.db2.gz RRJHKRSNQBIHSU-INIZCTEOSA-N 2 1 356.486 0.333 20 0 FCADMP CCC(CC)[C@@H](Nc1cc(N)[nH+]cn1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001161917369 850290070 /nfs/dbraw/zinc/29/00/70/850290070.db2.gz VEGQXSJLYKLIDV-IQVWLFHZSA-N 2 1 351.451 0.773 20 0 FCADMP CCC(CC)[C@@H](Nc1cc(N)nc[nH+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001161917369 850290076 /nfs/dbraw/zinc/29/00/76/850290076.db2.gz VEGQXSJLYKLIDV-IQVWLFHZSA-N 2 1 351.451 0.773 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277833321 862121314 /nfs/dbraw/zinc/12/13/14/862121314.db2.gz BYGYJMABICZPKL-KRWDZBQOSA-N 3 1 354.539 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001164578551 850417434 /nfs/dbraw/zinc/41/74/34/850417434.db2.gz GWCKMBNUXWHDCT-GDBMZVCRSA-N 2 1 350.507 0.729 20 0 FCADMP CCOC(=O)N1CCC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001169650386 850632398 /nfs/dbraw/zinc/63/23/98/850632398.db2.gz YMFSFYVUAPKOHR-STQMWFEESA-N 2 1 357.455 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001170878825 850670036 /nfs/dbraw/zinc/67/00/36/850670036.db2.gz RTYYOINPNYLXKG-QLFBSQMISA-N 2 1 351.499 0.705 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172529 850707442 /nfs/dbraw/zinc/70/74/42/850707442.db2.gz FKJDOCVBJNZBAW-BRSBDYLESA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172529 850707447 /nfs/dbraw/zinc/70/74/47/850707447.db2.gz FKJDOCVBJNZBAW-BRSBDYLESA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172172529 850707451 /nfs/dbraw/zinc/70/74/51/850707451.db2.gz FKJDOCVBJNZBAW-BRSBDYLESA-N 2 1 351.491 0.809 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1COc2cccc(OC)c2C1 ZINC001173147376 850719051 /nfs/dbraw/zinc/71/90/51/850719051.db2.gz GEKHWWDTUADEKX-YPMHNXCESA-N 2 1 350.419 0.393 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCN3CCCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001178740777 850923445 /nfs/dbraw/zinc/92/34/45/850923445.db2.gz SPRPJBPYAJYOFJ-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001182870836 851204560 /nfs/dbraw/zinc/20/45/60/851204560.db2.gz DSCVFWGZAPSDCN-INIZCTEOSA-N 2 1 366.487 0.415 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001183577035 851252859 /nfs/dbraw/zinc/25/28/59/851252859.db2.gz VIPCAXWFKVOVQO-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP [NH3+]CCN(CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(O)N=O ZINC001183576110 851252952 /nfs/dbraw/zinc/25/29/52/851252952.db2.gz YVRQDLQLODNCIA-OAHLLOKOSA-N 2 1 350.423 0.173 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001183590795 851254159 /nfs/dbraw/zinc/25/41/59/851254159.db2.gz DVZNOKDRZUGLFE-JHJVBQTASA-N 2 1 353.385 0.475 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001183590795 851254167 /nfs/dbraw/zinc/25/41/67/851254167.db2.gz DVZNOKDRZUGLFE-JHJVBQTASA-N 2 1 353.385 0.475 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001188315578 851668772 /nfs/dbraw/zinc/66/87/72/851668772.db2.gz ZMTKLTQIBBNLFF-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001188315578 851668780 /nfs/dbraw/zinc/66/87/80/851668780.db2.gz ZMTKLTQIBBNLFF-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001188964168 851738126 /nfs/dbraw/zinc/73/81/26/851738126.db2.gz XTDVTDVOXLYTEN-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188971531 851739042 /nfs/dbraw/zinc/73/90/42/851739042.db2.gz VTKNERVSLQKKKL-OWCLPIDISA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188971531 851739046 /nfs/dbraw/zinc/73/90/46/851739046.db2.gz VTKNERVSLQKKKL-OWCLPIDISA-N 2 1 371.547 0.542 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001188971455 851739496 /nfs/dbraw/zinc/73/94/96/851739496.db2.gz UBECYGVVCYPZOK-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001188971455 851739498 /nfs/dbraw/zinc/73/94/98/851739498.db2.gz UBECYGVVCYPZOK-HRCADAONSA-N 2 1 369.531 0.296 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018171 851742507 /nfs/dbraw/zinc/74/25/07/851742507.db2.gz FTDLAINVULXSEH-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018171 851742514 /nfs/dbraw/zinc/74/25/14/851742514.db2.gz FTDLAINVULXSEH-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034271 851743840 /nfs/dbraw/zinc/74/38/40/851743840.db2.gz FRRCBSQBKULCGQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034271 851743845 /nfs/dbraw/zinc/74/38/45/851743845.db2.gz FRRCBSQBKULCGQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189055430 851746434 /nfs/dbraw/zinc/74/64/34/851746434.db2.gz UHOYWJHMBDERHG-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189055430 851746438 /nfs/dbraw/zinc/74/64/38/851746438.db2.gz UHOYWJHMBDERHG-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126422 851754972 /nfs/dbraw/zinc/75/49/72/851754972.db2.gz HVIANVDVZWVZMX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126422 851754977 /nfs/dbraw/zinc/75/49/77/851754977.db2.gz HVIANVDVZWVZMX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126422 851754984 /nfs/dbraw/zinc/75/49/84/851754984.db2.gz HVIANVDVZWVZMX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126422 851754990 /nfs/dbraw/zinc/75/49/90/851754990.db2.gz HVIANVDVZWVZMX-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001189159758 851759178 /nfs/dbraw/zinc/75/91/78/851759178.db2.gz JWBXSOFHDBPSFQ-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001189159758 851759180 /nfs/dbraw/zinc/75/91/80/851759180.db2.gz JWBXSOFHDBPSFQ-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001189159758 851759185 /nfs/dbraw/zinc/75/91/85/851759185.db2.gz JWBXSOFHDBPSFQ-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001189159758 851759189 /nfs/dbraw/zinc/75/91/89/851759189.db2.gz JWBXSOFHDBPSFQ-GOEBONIOSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189453354 851792857 /nfs/dbraw/zinc/79/28/57/851792857.db2.gz HELGYAAELMAIQU-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189453354 851792863 /nfs/dbraw/zinc/79/28/63/851792863.db2.gz HELGYAAELMAIQU-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189453354 851792867 /nfs/dbraw/zinc/79/28/67/851792867.db2.gz HELGYAAELMAIQU-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612131 851808461 /nfs/dbraw/zinc/80/84/61/851808461.db2.gz GDMNPKZGDRAPST-OKZBNKHCSA-N 2 1 353.507 0.647 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801396 851824667 /nfs/dbraw/zinc/82/46/67/851824667.db2.gz DXPCWTRYQRLZST-WMLDXEAASA-N 2 1 350.463 0.848 20 0 FCADMP CCc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801396 851824671 /nfs/dbraw/zinc/82/46/71/851824671.db2.gz DXPCWTRYQRLZST-WMLDXEAASA-N 2 1 350.463 0.848 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189898271 851838570 /nfs/dbraw/zinc/83/85/70/851838570.db2.gz JBQAPIVFMUQJEC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189898271 851838577 /nfs/dbraw/zinc/83/85/77/851838577.db2.gz JBQAPIVFMUQJEC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189898271 851838584 /nfs/dbraw/zinc/83/85/84/851838584.db2.gz JBQAPIVFMUQJEC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189898271 851838593 /nfs/dbraw/zinc/83/85/93/851838593.db2.gz JBQAPIVFMUQJEC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178392 851870815 /nfs/dbraw/zinc/87/08/15/851870815.db2.gz YKFXYGBZHGEGMA-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCS(=O)(=O)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237762 851882763 /nfs/dbraw/zinc/88/27/63/851882763.db2.gz FKVZPIUNDQMCAW-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237762 851882770 /nfs/dbraw/zinc/88/27/70/851882770.db2.gz FKVZPIUNDQMCAW-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CCS(=O)(=O)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237762 851882776 /nfs/dbraw/zinc/88/27/76/851882776.db2.gz FKVZPIUNDQMCAW-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CCS(=O)(=O)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237762 851882782 /nfs/dbraw/zinc/88/27/82/851882782.db2.gz FKVZPIUNDQMCAW-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001192844598 852300863 /nfs/dbraw/zinc/30/08/63/852300863.db2.gz ZDHSCSWFXRXBKJ-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001192844598 852300871 /nfs/dbraw/zinc/30/08/71/852300871.db2.gz ZDHSCSWFXRXBKJ-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001192844598 852300881 /nfs/dbraw/zinc/30/08/81/852300881.db2.gz ZDHSCSWFXRXBKJ-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001192844598 852300891 /nfs/dbraw/zinc/30/08/91/852300891.db2.gz ZDHSCSWFXRXBKJ-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193447069 852429116 /nfs/dbraw/zinc/42/91/16/852429116.db2.gz INZLHQZOQTZZTA-MGPQQGTHSA-N 2 1 351.413 0.873 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727342 852477116 /nfs/dbraw/zinc/47/71/16/852477116.db2.gz JKNBLJXVIJGGHN-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727342 852477121 /nfs/dbraw/zinc/47/71/21/852477121.db2.gz JKNBLJXVIJGGHN-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727342 852477126 /nfs/dbraw/zinc/47/71/26/852477126.db2.gz JKNBLJXVIJGGHN-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727342 852477128 /nfs/dbraw/zinc/47/71/28/852477128.db2.gz JKNBLJXVIJGGHN-KZNAEPCWSA-N 2 1 353.507 0.552 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755534 852482200 /nfs/dbraw/zinc/48/22/00/852482200.db2.gz MROCUGQQDHJBSK-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755534 852482202 /nfs/dbraw/zinc/48/22/02/852482202.db2.gz MROCUGQQDHJBSK-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)s1 ZINC001193791661 852489336 /nfs/dbraw/zinc/48/93/36/852489336.db2.gz OARPXZJMPYEEQV-HUUCEWRRSA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)s1 ZINC001193791661 852489341 /nfs/dbraw/zinc/48/93/41/852489341.db2.gz OARPXZJMPYEEQV-HUUCEWRRSA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)s1 ZINC001193791661 852489345 /nfs/dbraw/zinc/48/93/45/852489345.db2.gz OARPXZJMPYEEQV-HUUCEWRRSA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)s1 ZINC001193791661 852489349 /nfs/dbraw/zinc/48/93/49/852489349.db2.gz OARPXZJMPYEEQV-HUUCEWRRSA-N 2 1 352.504 0.906 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039689 852529294 /nfs/dbraw/zinc/52/92/94/852529294.db2.gz SGUNVWKBHIANNL-IAGOWNOFSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001278608155 862384681 /nfs/dbraw/zinc/38/46/81/862384681.db2.gz XGJSCMAZJKQRRH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001278608155 862384697 /nfs/dbraw/zinc/38/46/97/862384697.db2.gz XGJSCMAZJKQRRH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195580804 852790048 /nfs/dbraw/zinc/79/00/48/852790048.db2.gz KDWANEOVNPDIAQ-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195580804 852790054 /nfs/dbraw/zinc/79/00/54/852790054.db2.gz KDWANEOVNPDIAQ-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195580804 852790061 /nfs/dbraw/zinc/79/00/61/852790061.db2.gz KDWANEOVNPDIAQ-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195580804 852790064 /nfs/dbraw/zinc/79/00/64/852790064.db2.gz KDWANEOVNPDIAQ-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001195708354 852816157 /nfs/dbraw/zinc/81/61/57/852816157.db2.gz LSXMHVZDUJQPMZ-HZPDHXFCSA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001195708354 852816164 /nfs/dbraw/zinc/81/61/64/852816164.db2.gz LSXMHVZDUJQPMZ-HZPDHXFCSA-N 2 1 353.438 0.708 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001196206437 852913886 /nfs/dbraw/zinc/91/38/86/852913886.db2.gz CNFOOOKIDKKRNA-BHUNQDJPSA-N 2 1 355.523 0.941 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001196206437 852913897 /nfs/dbraw/zinc/91/38/97/852913897.db2.gz CNFOOOKIDKKRNA-BHUNQDJPSA-N 2 1 355.523 0.941 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001196206437 852913903 /nfs/dbraw/zinc/91/39/03/852913903.db2.gz CNFOOOKIDKKRNA-BHUNQDJPSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001196636853 852990897 /nfs/dbraw/zinc/99/08/97/852990897.db2.gz DWVXPCQKPUXJAJ-MGPQQGTHSA-N 2 1 367.412 0.193 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001196636853 852990905 /nfs/dbraw/zinc/99/09/05/852990905.db2.gz DWVXPCQKPUXJAJ-MGPQQGTHSA-N 2 1 367.412 0.193 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197493646 853123234 /nfs/dbraw/zinc/12/32/34/853123234.db2.gz WADDTWAKSORVNA-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197493646 853123242 /nfs/dbraw/zinc/12/32/42/853123242.db2.gz WADDTWAKSORVNA-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197493646 853123246 /nfs/dbraw/zinc/12/32/46/853123246.db2.gz WADDTWAKSORVNA-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197493646 853123252 /nfs/dbraw/zinc/12/32/52/853123252.db2.gz WADDTWAKSORVNA-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc3nsnc32)C[C@H]1O ZINC001197536115 853128035 /nfs/dbraw/zinc/12/80/35/853128035.db2.gz KDQITFQCSPRQGV-HUUCEWRRSA-N 2 1 363.487 0.694 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948661 853190059 /nfs/dbraw/zinc/19/00/59/853190059.db2.gz KZNNPGCHAVLJNP-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948661 853190061 /nfs/dbraw/zinc/19/00/61/853190061.db2.gz KZNNPGCHAVLJNP-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1O ZINC001197996619 853200319 /nfs/dbraw/zinc/20/03/19/853200319.db2.gz AFMAQRTUISUDES-HZPDHXFCSA-N 2 1 350.463 0.483 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029224 853206346 /nfs/dbraw/zinc/20/63/46/853206346.db2.gz QOHPPFFMYGEWDI-YNEHKIRRSA-N 2 1 355.401 0.193 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029224 853206340 /nfs/dbraw/zinc/20/63/40/853206340.db2.gz QOHPPFFMYGEWDI-YNEHKIRRSA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029224 853206351 /nfs/dbraw/zinc/20/63/51/853206351.db2.gz QOHPPFFMYGEWDI-YNEHKIRRSA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029224 853206355 /nfs/dbraw/zinc/20/63/55/853206355.db2.gz QOHPPFFMYGEWDI-YNEHKIRRSA-N 2 1 355.401 0.193 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653650 853296620 /nfs/dbraw/zinc/29/66/20/853296620.db2.gz LOFZAPKBJIYKKD-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653650 853296630 /nfs/dbraw/zinc/29/66/30/853296630.db2.gz LOFZAPKBJIYKKD-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653650 853296641 /nfs/dbraw/zinc/29/66/41/853296641.db2.gz LOFZAPKBJIYKKD-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nccc(OCC2CCOCC2)n1 ZINC001199176553 853384738 /nfs/dbraw/zinc/38/47/38/853384738.db2.gz OLKKZFBAJALFCI-UHFFFAOYSA-N 2 1 350.423 0.357 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001199370128 853414085 /nfs/dbraw/zinc/41/40/85/853414085.db2.gz LWKDAHXUARHOJP-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199398471 853419319 /nfs/dbraw/zinc/41/93/19/853419319.db2.gz RDHIKCZLTKJYSH-HUUCEWRRSA-N 2 1 363.487 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CCC3)CC2)CC[N@H+]1C ZINC001200637090 853506156 /nfs/dbraw/zinc/50/61/56/853506156.db2.gz QVOPLCFMIVWKQM-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001200643198 853506233 /nfs/dbraw/zinc/50/62/33/853506233.db2.gz BBPXYUMXAAJIPB-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP COCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787358 853510669 /nfs/dbraw/zinc/51/06/69/853510669.db2.gz SMPBYUCJPJKWGA-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787358 853510681 /nfs/dbraw/zinc/51/06/81/853510681.db2.gz SMPBYUCJPJKWGA-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229718 853520673 /nfs/dbraw/zinc/52/06/73/853520673.db2.gz HJLJNYGXZCXVGX-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP CCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229718 853520676 /nfs/dbraw/zinc/52/06/76/853520676.db2.gz HJLJNYGXZCXVGX-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334250 853603679 /nfs/dbraw/zinc/60/36/79/853603679.db2.gz ILKLOJNINBRLIZ-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001207001105 853779595 /nfs/dbraw/zinc/77/95/95/853779595.db2.gz QMVRYIBCONTICV-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001207001105 853779600 /nfs/dbraw/zinc/77/96/00/853779600.db2.gz QMVRYIBCONTICV-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001207001105 853779607 /nfs/dbraw/zinc/77/96/07/853779607.db2.gz QMVRYIBCONTICV-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232148 853793429 /nfs/dbraw/zinc/79/34/29/853793429.db2.gz QTZHGVDCXYZYST-VHDGCEQUSA-N 2 1 355.504 0.867 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232148 853793432 /nfs/dbraw/zinc/79/34/32/853793432.db2.gz QTZHGVDCXYZYST-VHDGCEQUSA-N 2 1 355.504 0.867 20 0 FCADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001207442654 853813402 /nfs/dbraw/zinc/81/34/02/853813402.db2.gz FDSILLMEODLYMG-UHFFFAOYSA-N 2 1 358.508 0.788 20 0 FCADMP O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21)N1CCOCC1 ZINC001207436906 853813449 /nfs/dbraw/zinc/81/34/49/853813449.db2.gz LKAGXAHYIYQNBV-KURKYZTESA-N 2 1 351.491 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563494 853826014 /nfs/dbraw/zinc/82/60/14/853826014.db2.gz WXIJJQASOJJKHQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563494 853826017 /nfs/dbraw/zinc/82/60/17/853826017.db2.gz WXIJJQASOJJKHQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563494 853826018 /nfs/dbraw/zinc/82/60/18/853826018.db2.gz WXIJJQASOJJKHQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001207697648 853841654 /nfs/dbraw/zinc/84/16/54/853841654.db2.gz HQMCFFLTVZCILX-RBSFLKMASA-N 2 1 362.540 0.093 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114321 853897786 /nfs/dbraw/zinc/89/77/86/853897786.db2.gz OADMOGBBGPOUNA-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110950 853898013 /nfs/dbraw/zinc/89/80/13/853898013.db2.gz ZPTNYLDRYRDYCG-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432319 853933707 /nfs/dbraw/zinc/93/37/07/853933707.db2.gz XMJGZTWMGHTWRG-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432319 853933712 /nfs/dbraw/zinc/93/37/12/853933712.db2.gz XMJGZTWMGHTWRG-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447745 853935521 /nfs/dbraw/zinc/93/55/21/853935521.db2.gz OTRAHHFRFNZVGO-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447494 853935641 /nfs/dbraw/zinc/93/56/41/853935641.db2.gz HVUGHXFMBDRHFA-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447494 853935645 /nfs/dbraw/zinc/93/56/45/853935645.db2.gz HVUGHXFMBDRHFA-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613584 853959921 /nfs/dbraw/zinc/95/99/21/853959921.db2.gz OLMHSDMBYCLXGE-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613584 853959927 /nfs/dbraw/zinc/95/99/27/853959927.db2.gz OLMHSDMBYCLXGE-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208613584 853959930 /nfs/dbraw/zinc/95/99/30/853959930.db2.gz OLMHSDMBYCLXGE-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208613584 853959934 /nfs/dbraw/zinc/95/99/34/853959934.db2.gz OLMHSDMBYCLXGE-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CC(=O)N1CCC[C@@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001208972138 853986748 /nfs/dbraw/zinc/98/67/48/853986748.db2.gz ZUDMZOHKLGMNAM-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208986118 853987899 /nfs/dbraw/zinc/98/78/99/853987899.db2.gz GWEHPUOJYOISND-MRXNPFEDSA-N 2 1 356.511 0.802 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327775 854019893 /nfs/dbraw/zinc/01/98/93/854019893.db2.gz PQWAJCJMWOSHEB-NVXWUHKLSA-N 2 1 351.495 0.920 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327857 854020010 /nfs/dbraw/zinc/02/00/10/854020010.db2.gz RQHGPAGQAATWSK-HLLBOEOZSA-N 2 1 351.495 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314939 854099665 /nfs/dbraw/zinc/09/96/65/854099665.db2.gz GWRHLNGMMXJPSH-NXHRZFHOSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001210499395 854114107 /nfs/dbraw/zinc/11/41/07/854114107.db2.gz YCDZMBVQYXIOBU-IXDOHACOSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001210499395 854114110 /nfs/dbraw/zinc/11/41/10/854114110.db2.gz YCDZMBVQYXIOBU-IXDOHACOSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001210499395 854114112 /nfs/dbraw/zinc/11/41/12/854114112.db2.gz YCDZMBVQYXIOBU-IXDOHACOSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210529467 854116474 /nfs/dbraw/zinc/11/64/74/854116474.db2.gz WVGBHGSWQVTMJA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210529467 854116479 /nfs/dbraw/zinc/11/64/79/854116479.db2.gz WVGBHGSWQVTMJA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210529467 854116482 /nfs/dbraw/zinc/11/64/82/854116482.db2.gz WVGBHGSWQVTMJA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210529467 854116486 /nfs/dbraw/zinc/11/64/86/854116486.db2.gz WVGBHGSWQVTMJA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444075 854199977 /nfs/dbraw/zinc/19/99/77/854199977.db2.gz NGKHXMPIMOOMSB-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(CCCC3CCOCC3)C2)CC[N@H+]1C ZINC001278868303 862545566 /nfs/dbraw/zinc/54/55/66/862545566.db2.gz VKCCQQDXMCLJHV-NVXWUHKLSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CCCC3CCOCC3)C2)CC[N@@H+]1C ZINC001278868303 862545573 /nfs/dbraw/zinc/54/55/73/862545573.db2.gz VKCCQQDXMCLJHV-NVXWUHKLSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CCCC3CCOCC3)C2)CC[N@H+]1C ZINC001278868303 862545579 /nfs/dbraw/zinc/54/55/79/862545579.db2.gz VKCCQQDXMCLJHV-NVXWUHKLSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408702 854466079 /nfs/dbraw/zinc/46/60/79/854466079.db2.gz YLWUKWZBJQPDMF-YNEHKIRRSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408702 854466084 /nfs/dbraw/zinc/46/60/84/854466084.db2.gz YLWUKWZBJQPDMF-YNEHKIRRSA-N 2 1 367.412 0.599 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430180 854474576 /nfs/dbraw/zinc/47/45/76/854474576.db2.gz DDUZNRTUBGDTSK-RRFJBIMHSA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430180 854474581 /nfs/dbraw/zinc/47/45/81/854474581.db2.gz DDUZNRTUBGDTSK-RRFJBIMHSA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430180 854474586 /nfs/dbraw/zinc/47/45/86/854474586.db2.gz DDUZNRTUBGDTSK-RRFJBIMHSA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430180 854474593 /nfs/dbraw/zinc/47/45/93/854474593.db2.gz DDUZNRTUBGDTSK-RRFJBIMHSA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430179 854474867 /nfs/dbraw/zinc/47/48/67/854474867.db2.gz DDUZNRTUBGDTSK-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430179 854474875 /nfs/dbraw/zinc/47/48/75/854474875.db2.gz DDUZNRTUBGDTSK-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430179 854474886 /nfs/dbraw/zinc/47/48/86/854474886.db2.gz DDUZNRTUBGDTSK-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430179 854474897 /nfs/dbraw/zinc/47/48/97/854474897.db2.gz DDUZNRTUBGDTSK-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436868 854477901 /nfs/dbraw/zinc/47/79/01/854477901.db2.gz NYPQCEDVMXUOET-INMHGKMJSA-N 2 1 354.495 0.010 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436868 854477907 /nfs/dbraw/zinc/47/79/07/854477907.db2.gz NYPQCEDVMXUOET-INMHGKMJSA-N 2 1 354.495 0.010 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192338 854528349 /nfs/dbraw/zinc/52/83/49/854528349.db2.gz QBNNTVNBBKDTMZ-RVKOJVRFSA-N 2 1 351.491 0.855 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192338 854528355 /nfs/dbraw/zinc/52/83/55/854528355.db2.gz QBNNTVNBBKDTMZ-RVKOJVRFSA-N 2 1 351.491 0.855 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192338 854528362 /nfs/dbraw/zinc/52/83/62/854528362.db2.gz QBNNTVNBBKDTMZ-RVKOJVRFSA-N 2 1 351.491 0.855 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346626 854583872 /nfs/dbraw/zinc/58/38/72/854583872.db2.gz WAYBKMRHHBKFCI-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346626 854583879 /nfs/dbraw/zinc/58/38/79/854583879.db2.gz WAYBKMRHHBKFCI-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369391 854589383 /nfs/dbraw/zinc/58/93/83/854589383.db2.gz QZPPFXYGWMOIEL-BFHYXJOUSA-N 2 1 367.412 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369391 854589395 /nfs/dbraw/zinc/58/93/95/854589395.db2.gz QZPPFXYGWMOIEL-BFHYXJOUSA-N 2 1 367.412 0.457 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC)[NH+](C)C ZINC001213458398 854625951 /nfs/dbraw/zinc/62/59/51/854625951.db2.gz WQVDAVUZIVZILT-IXDOHACOSA-N 2 1 351.495 0.656 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC)[NH+](C)C ZINC001213458398 854625961 /nfs/dbraw/zinc/62/59/61/854625961.db2.gz WQVDAVUZIVZILT-IXDOHACOSA-N 2 1 351.495 0.656 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526691 854652741 /nfs/dbraw/zinc/65/27/41/854652741.db2.gz UZUYHCFAPHKNJZ-IAGOWNOFSA-N 2 1 357.495 0.197 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213598770 854680760 /nfs/dbraw/zinc/68/07/60/854680760.db2.gz MUODIJHCCNXFFL-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213673194 854709886 /nfs/dbraw/zinc/70/98/86/854709886.db2.gz ATYPQWNJANTFBY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213673194 854709893 /nfs/dbraw/zinc/70/98/93/854709893.db2.gz ATYPQWNJANTFBY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213673194 854709897 /nfs/dbraw/zinc/70/98/97/854709897.db2.gz ATYPQWNJANTFBY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729969 854739597 /nfs/dbraw/zinc/73/95/97/854739597.db2.gz AFXBEHMBUHWNIH-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753359 854751059 /nfs/dbraw/zinc/75/10/59/854751059.db2.gz FLRVFPINODELCL-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753359 854751062 /nfs/dbraw/zinc/75/10/62/854751062.db2.gz FLRVFPINODELCL-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759533 854754866 /nfs/dbraw/zinc/75/48/66/854754866.db2.gz PRWBDEKTDOEFEM-ARFHVFGLSA-N 2 1 356.511 0.304 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001213764746 854757226 /nfs/dbraw/zinc/75/72/26/854757226.db2.gz APBKDMGPYYRGHR-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001213764746 854757234 /nfs/dbraw/zinc/75/72/34/854757234.db2.gz APBKDMGPYYRGHR-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001213764746 854757241 /nfs/dbraw/zinc/75/72/41/854757241.db2.gz APBKDMGPYYRGHR-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916712 854822267 /nfs/dbraw/zinc/82/22/67/854822267.db2.gz FXRPMZFXRLELGC-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916712 854822277 /nfs/dbraw/zinc/82/22/77/854822277.db2.gz FXRPMZFXRLELGC-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921930 854825981 /nfs/dbraw/zinc/82/59/81/854825981.db2.gz NTQARIHLGUKMBA-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921930 854825985 /nfs/dbraw/zinc/82/59/85/854825985.db2.gz NTQARIHLGUKMBA-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214335762 854927335 /nfs/dbraw/zinc/92/73/35/854927335.db2.gz IBPQJSHPMPHVHP-KFWWJZLASA-N 2 1 357.520 0.342 20 0 FCADMP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001214343748 854928036 /nfs/dbraw/zinc/92/80/36/854928036.db2.gz FDXCEZVKQVHAEK-MRVWCRGKSA-N 2 1 365.503 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214343933 854928219 /nfs/dbraw/zinc/92/82/19/854928219.db2.gz KACCWNZSGNGUOH-UTUOFQBUSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636027 854983656 /nfs/dbraw/zinc/98/36/56/854983656.db2.gz AQWIVUFRHHVNHI-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214661756 854987685 /nfs/dbraw/zinc/98/76/85/854987685.db2.gz CBHNRSNZIQVRKA-AAVRWANBSA-N 2 1 365.503 0.858 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214889844 855028504 /nfs/dbraw/zinc/02/85/04/855028504.db2.gz QDTQIOWFUZMIFH-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214889294 855028660 /nfs/dbraw/zinc/02/86/60/855028660.db2.gz IQMACHBBOPCTLI-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968775 855042242 /nfs/dbraw/zinc/04/22/42/855042242.db2.gz BGOSPCIRBCMIDD-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)CC2 ZINC001215409620 855111357 /nfs/dbraw/zinc/11/13/57/855111357.db2.gz AWSAWIDZAMYMOH-UKPHBRMFSA-N 2 1 350.463 0.199 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)C2 ZINC001215544173 855127082 /nfs/dbraw/zinc/12/70/82/855127082.db2.gz JVMQPEVFFOZERJ-IVMMDQJWSA-N 2 1 368.503 0.235 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001215544295 855127301 /nfs/dbraw/zinc/12/73/01/855127301.db2.gz OAWJISNBAJVSKG-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)C2 ZINC001215544174 855127495 /nfs/dbraw/zinc/12/74/95/855127495.db2.gz JVMQPEVFFOZERJ-XNRPHZJLSA-N 2 1 368.503 0.235 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215767657 855143780 /nfs/dbraw/zinc/14/37/80/855143780.db2.gz VNJNWVAZCHDNOW-OWCLPIDISA-N 2 1 352.479 0.840 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938504 855157629 /nfs/dbraw/zinc/15/76/29/855157629.db2.gz CEXOCWARSBQXRN-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216225170 855180374 /nfs/dbraw/zinc/18/03/74/855180374.db2.gz AVZKPSVGWMAXAQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001216225319 855180491 /nfs/dbraw/zinc/18/04/91/855180491.db2.gz DRWIJAZYXBMUIT-UKRRQHHQSA-N 2 1 371.503 0.961 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001216490595 855207318 /nfs/dbraw/zinc/20/73/18/855207318.db2.gz GCKPZPRQBJUYCG-IXDOHACOSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216503338 855208875 /nfs/dbraw/zinc/20/88/75/855208875.db2.gz PPTMGJLFNJEBOU-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)no2)C1 ZINC001216499536 855208901 /nfs/dbraw/zinc/20/89/01/855208901.db2.gz NBKSSCMPRPWWSL-TZMCWYRMSA-N 2 1 351.451 0.700 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216515984 855210961 /nfs/dbraw/zinc/21/09/61/855210961.db2.gz WOTDFQPFOBHZEJ-HZPDHXFCSA-N 2 1 361.552 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216754232 855232673 /nfs/dbraw/zinc/23/26/73/855232673.db2.gz LOAMFBAPTBRZKP-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C2)C1 ZINC001216801964 855247267 /nfs/dbraw/zinc/24/72/67/855247267.db2.gz ZMKMSBFHQLILPS-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C2)C1 ZINC001216801964 855247270 /nfs/dbraw/zinc/24/72/70/855247270.db2.gz ZMKMSBFHQLILPS-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216852396 855260628 /nfs/dbraw/zinc/26/06/28/855260628.db2.gz XVLGSXSIEBAZDU-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218087127 855396179 /nfs/dbraw/zinc/39/61/79/855396179.db2.gz BWHSNVOQANRFQO-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001218087127 855396183 /nfs/dbraw/zinc/39/61/83/855396183.db2.gz BWHSNVOQANRFQO-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001218087127 855396191 /nfs/dbraw/zinc/39/61/91/855396191.db2.gz BWHSNVOQANRFQO-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161590 855402733 /nfs/dbraw/zinc/40/27/33/855402733.db2.gz GMEHOIGQHOLPKH-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161590 855402736 /nfs/dbraw/zinc/40/27/36/855402736.db2.gz GMEHOIGQHOLPKH-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP COCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161590 855402737 /nfs/dbraw/zinc/40/27/37/855402737.db2.gz GMEHOIGQHOLPKH-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP COCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161590 855402739 /nfs/dbraw/zinc/40/27/39/855402739.db2.gz GMEHOIGQHOLPKH-YYIAUSFCSA-N 2 1 355.479 0.044 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354295 855417487 /nfs/dbraw/zinc/41/74/87/855417487.db2.gz AYXNUKJXOIPCKB-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354295 855417488 /nfs/dbraw/zinc/41/74/88/855417488.db2.gz AYXNUKJXOIPCKB-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@@H]32)CC1 ZINC001218550617 855437799 /nfs/dbraw/zinc/43/77/99/855437799.db2.gz GZUBWQNBIOJCON-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550821 855438387 /nfs/dbraw/zinc/43/83/87/855438387.db2.gz OTFGOYJOMHGHEA-DLBZAZTESA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550821 855438394 /nfs/dbraw/zinc/43/83/94/855438394.db2.gz OTFGOYJOMHGHEA-DLBZAZTESA-N 2 1 353.507 0.912 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557846 855439521 /nfs/dbraw/zinc/43/95/21/855439521.db2.gz LRWOXQBAPRIBIR-HRCADAONSA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557846 855439530 /nfs/dbraw/zinc/43/95/30/855439530.db2.gz LRWOXQBAPRIBIR-HRCADAONSA-N 2 1 354.495 0.284 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)cn2)CC1 ZINC001218579633 855443799 /nfs/dbraw/zinc/44/37/99/855443799.db2.gz IGMNGPWJCWPRLT-CYBMUJFWSA-N 2 1 350.467 0.699 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001218789500 855479444 /nfs/dbraw/zinc/47/94/44/855479444.db2.gz KTZOGYUOJVMSBY-DLBZAZTESA-N 2 1 357.470 0.760 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001218789500 855479448 /nfs/dbraw/zinc/47/94/48/855479448.db2.gz KTZOGYUOJVMSBY-DLBZAZTESA-N 2 1 357.470 0.760 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919011 855496079 /nfs/dbraw/zinc/49/60/79/855496079.db2.gz LSYFJUSCAXISER-HZSPNIEDSA-N 2 1 367.412 0.553 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919011 855496083 /nfs/dbraw/zinc/49/60/83/855496083.db2.gz LSYFJUSCAXISER-HZSPNIEDSA-N 2 1 367.412 0.553 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919011 855496088 /nfs/dbraw/zinc/49/60/88/855496088.db2.gz LSYFJUSCAXISER-HZSPNIEDSA-N 2 1 367.412 0.553 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919011 855496089 /nfs/dbraw/zinc/49/60/89/855496089.db2.gz LSYFJUSCAXISER-HZSPNIEDSA-N 2 1 367.412 0.553 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCF)C[C@@H]32)C1 ZINC001219042947 855523282 /nfs/dbraw/zinc/52/32/82/855523282.db2.gz UZQRJXOTPMGEDH-GVDBMIGSSA-N 2 1 357.470 0.759 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCF)C[C@@H]32)C1 ZINC001219042947 855523287 /nfs/dbraw/zinc/52/32/87/855523287.db2.gz UZQRJXOTPMGEDH-GVDBMIGSSA-N 2 1 357.470 0.759 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCCF)C[C@@H]32)C1 ZINC001219042947 855523291 /nfs/dbraw/zinc/52/32/91/855523291.db2.gz UZQRJXOTPMGEDH-GVDBMIGSSA-N 2 1 357.470 0.759 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCCF)C[C@@H]32)C1 ZINC001219042947 855523295 /nfs/dbraw/zinc/52/32/95/855523295.db2.gz UZQRJXOTPMGEDH-GVDBMIGSSA-N 2 1 357.470 0.759 20 0 FCADMP N[C@@H](CSCC[NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219293849 855620790 /nfs/dbraw/zinc/62/07/90/855620790.db2.gz SAUYHJVWBIRHRE-ZDUSSCGKSA-N 2 1 355.483 0.711 20 0 FCADMP Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219417559 855664013 /nfs/dbraw/zinc/66/40/13/855664013.db2.gz WELBLBREKIDSSR-ZDUSSCGKSA-N 2 1 350.444 0.319 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815924 855830036 /nfs/dbraw/zinc/83/00/36/855830036.db2.gz QXZWSFPCRNOCSM-KGLIPLIRSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815924 855830040 /nfs/dbraw/zinc/83/00/40/855830040.db2.gz QXZWSFPCRNOCSM-KGLIPLIRSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815924 855830044 /nfs/dbraw/zinc/83/00/44/855830044.db2.gz QXZWSFPCRNOCSM-KGLIPLIRSA-N 2 1 367.412 0.601 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220071985 855945604 /nfs/dbraw/zinc/94/56/04/855945604.db2.gz ZKHVBLAWIFTUAN-ZDUSSCGKSA-N 2 1 352.460 0.003 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220238079 856026143 /nfs/dbraw/zinc/02/61/43/856026143.db2.gz LSXMHVZDUJQPMZ-CVEARBPZSA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220238079 856026157 /nfs/dbraw/zinc/02/61/57/856026157.db2.gz LSXMHVZDUJQPMZ-CVEARBPZSA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001220276551 856040704 /nfs/dbraw/zinc/04/07/04/856040704.db2.gz DZDHJVIYTCASAR-CVEARBPZSA-N 2 1 355.866 0.832 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001220276551 856040710 /nfs/dbraw/zinc/04/07/10/856040710.db2.gz DZDHJVIYTCASAR-CVEARBPZSA-N 2 1 355.866 0.832 20 0 FCADMP CCOC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN(C)CC1 ZINC001220345697 856077787 /nfs/dbraw/zinc/07/77/87/856077787.db2.gz MERIWTNXLUZEGL-AWEZNQCLSA-N 2 1 352.479 0.004 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548146 856179201 /nfs/dbraw/zinc/17/92/01/856179201.db2.gz ZBRQNPLPDWYBMY-SJORKVTESA-N 2 1 357.495 0.077 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548146 856179208 /nfs/dbraw/zinc/17/92/08/856179208.db2.gz ZBRQNPLPDWYBMY-SJORKVTESA-N 2 1 357.495 0.077 20 0 FCADMP CC1CCC(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)CC1 ZINC001220553930 856181080 /nfs/dbraw/zinc/18/10/80/856181080.db2.gz YNAPPBMXCKHVOS-HIEASXQVSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CCC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)CC1 ZINC001220553930 856181085 /nfs/dbraw/zinc/18/10/85/856181085.db2.gz YNAPPBMXCKHVOS-HIEASXQVSA-N 2 1 353.507 0.696 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)C(C)C ZINC001220575337 856191631 /nfs/dbraw/zinc/19/16/31/856191631.db2.gz SPZYBWKTABZUIN-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)C(C)C ZINC001220575337 856191638 /nfs/dbraw/zinc/19/16/38/856191638.db2.gz SPZYBWKTABZUIN-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220585091 856195499 /nfs/dbraw/zinc/19/54/99/856195499.db2.gz WUGKSZATPVFXOS-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220585091 856195506 /nfs/dbraw/zinc/19/55/06/856195506.db2.gz WUGKSZATPVFXOS-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)CC1 ZINC001220637256 856215747 /nfs/dbraw/zinc/21/57/47/856215747.db2.gz ANBAKKDUWHWTCN-CVEARBPZSA-N 2 1 353.488 0.520 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)CC1 ZINC001220637256 856215752 /nfs/dbraw/zinc/21/57/52/856215752.db2.gz ANBAKKDUWHWTCN-CVEARBPZSA-N 2 1 353.488 0.520 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220642657 856216776 /nfs/dbraw/zinc/21/67/76/856216776.db2.gz HFLPMNNZGYWXQO-OLZOCXBDSA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220642657 856216784 /nfs/dbraw/zinc/21/67/84/856216784.db2.gz HFLPMNNZGYWXQO-OLZOCXBDSA-N 2 1 353.385 0.211 20 0 FCADMP [NH3+]Cc1ncc(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC001220900741 856364169 /nfs/dbraw/zinc/36/41/69/856364169.db2.gz OVXLJJRIYQQXHI-UHFFFAOYSA-N 2 1 365.503 0.809 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001221073459 856450249 /nfs/dbraw/zinc/45/02/49/856450249.db2.gz XLTBBDGWSUMART-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@H](C)C1 ZINC001221406588 856559511 /nfs/dbraw/zinc/55/95/11/856559511.db2.gz HDFNBNVUVDQVMH-OWCLPIDISA-N 2 1 371.547 0.636 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCOCCOC)C[C@H]21 ZINC001221587762 856614040 /nfs/dbraw/zinc/61/40/40/856614040.db2.gz HEIBDAOHMJGIPF-IXDOHACOSA-N 2 1 359.486 0.862 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772265 856676899 /nfs/dbraw/zinc/67/68/99/856676899.db2.gz RHADJYUHBRCMEC-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772265 856676903 /nfs/dbraw/zinc/67/69/03/856676903.db2.gz RHADJYUHBRCMEC-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817295 856696709 /nfs/dbraw/zinc/69/67/09/856696709.db2.gz OMOMJCXSFYMMPI-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817295 856696716 /nfs/dbraw/zinc/69/67/16/856696716.db2.gz OMOMJCXSFYMMPI-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817295 856696721 /nfs/dbraw/zinc/69/67/21/856696721.db2.gz OMOMJCXSFYMMPI-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221817295 856696729 /nfs/dbraw/zinc/69/67/29/856696729.db2.gz OMOMJCXSFYMMPI-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221921908 856733873 /nfs/dbraw/zinc/73/38/73/856733873.db2.gz PPYWUNFHDLBSBM-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221921908 856733879 /nfs/dbraw/zinc/73/38/79/856733879.db2.gz PPYWUNFHDLBSBM-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221921908 856733888 /nfs/dbraw/zinc/73/38/88/856733888.db2.gz PPYWUNFHDLBSBM-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947182 856744207 /nfs/dbraw/zinc/74/42/07/856744207.db2.gz WTENICSNHRGTFX-HZSPNIEDSA-N 2 1 367.412 0.411 20 0 FCADMP CCO[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950625 856745494 /nfs/dbraw/zinc/74/54/94/856745494.db2.gz QCKNOSHYFGWIPV-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCOCC(F)(F)F)C[C@H]21 ZINC001221950512 856745595 /nfs/dbraw/zinc/74/55/95/856745595.db2.gz LNRKOXQMGGYDAJ-ZIAGYGMSSA-N 2 1 367.412 0.676 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCOCC(F)(F)F)C[C@H]21 ZINC001221950512 856745601 /nfs/dbraw/zinc/74/56/01/856745601.db2.gz LNRKOXQMGGYDAJ-ZIAGYGMSSA-N 2 1 367.412 0.676 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969043 856753367 /nfs/dbraw/zinc/75/33/67/856753367.db2.gz NWUHHJDNZLLKKK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969043 856753373 /nfs/dbraw/zinc/75/33/73/856753373.db2.gz NWUHHJDNZLLKKK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221969043 856753380 /nfs/dbraw/zinc/75/33/80/856753380.db2.gz NWUHHJDNZLLKKK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018259 856770119 /nfs/dbraw/zinc/77/01/19/856770119.db2.gz USQRYDLVYVDUMR-FGTMMUONSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001222049771 856784121 /nfs/dbraw/zinc/78/41/21/856784121.db2.gz LRTIMSLDDAGISF-KZNAEPCWSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437934 856839978 /nfs/dbraw/zinc/83/99/78/856839978.db2.gz DEACCOFSZXXOQR-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437934 856839981 /nfs/dbraw/zinc/83/99/81/856839981.db2.gz DEACCOFSZXXOQR-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222437934 856839985 /nfs/dbraw/zinc/83/99/85/856839985.db2.gz DEACCOFSZXXOQR-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222437934 856839989 /nfs/dbraw/zinc/83/99/89/856839989.db2.gz DEACCOFSZXXOQR-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442598 856840145 /nfs/dbraw/zinc/84/01/45/856840145.db2.gz NGAHTPCECNCHQM-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442598 856840148 /nfs/dbraw/zinc/84/01/48/856840148.db2.gz NGAHTPCECNCHQM-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442598 856840151 /nfs/dbraw/zinc/84/01/51/856840151.db2.gz NGAHTPCECNCHQM-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442598 856840153 /nfs/dbraw/zinc/84/01/53/856840153.db2.gz NGAHTPCECNCHQM-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)COCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489579 856846468 /nfs/dbraw/zinc/84/64/68/856846468.db2.gz XLVWPGDRKIXARJ-SQNIBIBYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489579 856846473 /nfs/dbraw/zinc/84/64/73/856846473.db2.gz XLVWPGDRKIXARJ-SQNIBIBYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489579 856846487 /nfs/dbraw/zinc/84/64/87/856846487.db2.gz XLVWPGDRKIXARJ-SQNIBIBYSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489579 856846492 /nfs/dbraw/zinc/84/64/92/856846492.db2.gz XLVWPGDRKIXARJ-SQNIBIBYSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1)C1CC1 ZINC001222891296 856880674 /nfs/dbraw/zinc/88/06/74/856880674.db2.gz DJGZNTSQMPFJAR-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1)C1CC1 ZINC001222891296 856880678 /nfs/dbraw/zinc/88/06/78/856880678.db2.gz DJGZNTSQMPFJAR-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892046 856880819 /nfs/dbraw/zinc/88/08/19/856880819.db2.gz LIPHIGWRGYHEQP-NJAFHUGGSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222897921 856881507 /nfs/dbraw/zinc/88/15/07/856881507.db2.gz OAPWFTQBVSCLSA-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001222897921 856881509 /nfs/dbraw/zinc/88/15/09/856881509.db2.gz OAPWFTQBVSCLSA-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001222897921 856881512 /nfs/dbraw/zinc/88/15/12/856881512.db2.gz OAPWFTQBVSCLSA-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222920952 856881737 /nfs/dbraw/zinc/88/17/37/856881737.db2.gz AMOBDOJSAFQQFE-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222920952 856881740 /nfs/dbraw/zinc/88/17/40/856881740.db2.gz AMOBDOJSAFQQFE-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222920952 856881748 /nfs/dbraw/zinc/88/17/48/856881748.db2.gz AMOBDOJSAFQQFE-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505620 856921387 /nfs/dbraw/zinc/92/13/87/856921387.db2.gz KUQBBLAVYYUICN-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505620 856921399 /nfs/dbraw/zinc/92/13/99/856921399.db2.gz KUQBBLAVYYUICN-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505620 856921410 /nfs/dbraw/zinc/92/14/10/856921410.db2.gz KUQBBLAVYYUICN-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@H]2C1 ZINC001223916252 856950767 /nfs/dbraw/zinc/95/07/67/856950767.db2.gz CQBKXLCZWVWDOJ-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130552 856961918 /nfs/dbraw/zinc/96/19/18/856961918.db2.gz QARIVAAIIXEVMY-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130552 856961920 /nfs/dbraw/zinc/96/19/20/856961920.db2.gz QARIVAAIIXEVMY-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130552 856961923 /nfs/dbraw/zinc/96/19/23/856961923.db2.gz QARIVAAIIXEVMY-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130552 856961928 /nfs/dbraw/zinc/96/19/28/856961928.db2.gz QARIVAAIIXEVMY-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131428 856962058 /nfs/dbraw/zinc/96/20/58/856962058.db2.gz ZKRDCWWIUUUPHV-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131428 856962062 /nfs/dbraw/zinc/96/20/62/856962062.db2.gz ZKRDCWWIUUUPHV-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131428 856962067 /nfs/dbraw/zinc/96/20/67/856962067.db2.gz ZKRDCWWIUUUPHV-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130122 856962454 /nfs/dbraw/zinc/96/24/54/856962454.db2.gz ODQDCTSVIBDQEW-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130122 856962455 /nfs/dbraw/zinc/96/24/55/856962455.db2.gz ODQDCTSVIBDQEW-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130122 856962459 /nfs/dbraw/zinc/96/24/59/856962459.db2.gz ODQDCTSVIBDQEW-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130122 856962461 /nfs/dbraw/zinc/96/24/61/856962461.db2.gz ODQDCTSVIBDQEW-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001224246016 856973318 /nfs/dbraw/zinc/97/33/18/856973318.db2.gz QKCASSLXNPTVFY-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001224246016 856973325 /nfs/dbraw/zinc/97/33/25/856973325.db2.gz QKCASSLXNPTVFY-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001224246016 856973334 /nfs/dbraw/zinc/97/33/34/856973334.db2.gz QKCASSLXNPTVFY-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001224246016 856973340 /nfs/dbraw/zinc/97/33/40/856973340.db2.gz QKCASSLXNPTVFY-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225346442 857036106 /nfs/dbraw/zinc/03/61/06/857036106.db2.gz MTQJBTDHWKQVKP-OAGGEKHMSA-N 2 1 359.536 0.922 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225379149 857038273 /nfs/dbraw/zinc/03/82/73/857038273.db2.gz XZMRIHXYTAGZLN-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001226563893 857109543 /nfs/dbraw/zinc/10/95/43/857109543.db2.gz DPHPPDVUTUUSIC-BFHYXJOUSA-N 2 1 355.462 0.407 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)O1 ZINC001227029017 857138391 /nfs/dbraw/zinc/13/83/91/857138391.db2.gz XWFDENUCMDVOQK-DTZQCDIJSA-N 2 1 352.479 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)O1 ZINC001227029017 857138395 /nfs/dbraw/zinc/13/83/95/857138395.db2.gz XWFDENUCMDVOQK-DTZQCDIJSA-N 2 1 352.479 0.001 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028231 857138603 /nfs/dbraw/zinc/13/86/03/857138603.db2.gz DZSLBNHDMHKJFS-KLHDSHLOSA-N 2 1 354.495 0.249 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028231 857138607 /nfs/dbraw/zinc/13/86/07/857138607.db2.gz DZSLBNHDMHKJFS-KLHDSHLOSA-N 2 1 354.495 0.249 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001227150171 857145494 /nfs/dbraw/zinc/14/54/94/857145494.db2.gz LLTJPRKSSJVEKN-MGPQQGTHSA-N 2 1 352.479 0.539 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)no1 ZINC001227211322 857148834 /nfs/dbraw/zinc/14/88/34/857148834.db2.gz DZPIEZJUKCLPGT-HUUCEWRRSA-N 2 1 354.451 0.376 20 0 FCADMP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227613807 857166763 /nfs/dbraw/zinc/16/67/63/857166763.db2.gz NFXOWHUBHBVXGD-CBYDULDESA-N 2 1 351.491 0.903 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC001228166961 857194267 /nfs/dbraw/zinc/19/42/67/857194267.db2.gz FJEQCCQKNPIDKE-OAGGEKHMSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC001228166961 857194271 /nfs/dbraw/zinc/19/42/71/857194271.db2.gz FJEQCCQKNPIDKE-OAGGEKHMSA-N 2 1 354.495 0.201 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229859840 857290186 /nfs/dbraw/zinc/29/01/86/857290186.db2.gz FFTCYJNHKJHPKT-HZPDHXFCSA-N 2 1 356.511 0.498 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229868823 857290501 /nfs/dbraw/zinc/29/05/01/857290501.db2.gz PLYXSIZHDKBJLT-HUUCEWRRSA-N 2 1 362.540 0.237 20 0 FCADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147662 857308225 /nfs/dbraw/zinc/30/82/25/857308225.db2.gz LEEGLZTUKWISEX-HUUCEWRRSA-N 2 1 371.507 0.148 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001230274831 857322723 /nfs/dbraw/zinc/32/27/23/857322723.db2.gz NXYYTVDLFMJYFL-BRWVUGGUSA-N 2 1 351.495 0.601 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cnsc1)CC2 ZINC001232224842 857369817 /nfs/dbraw/zinc/36/98/17/857369817.db2.gz PBIMJYYHWNRHPW-UHFFFAOYSA-N 2 1 351.520 0.813 20 0 FCADMP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235492537 857424986 /nfs/dbraw/zinc/42/49/86/857424986.db2.gz BCVLNVYRIREABD-RVKKMQEKSA-N 2 1 355.479 0.439 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235499089 857426039 /nfs/dbraw/zinc/42/60/39/857426039.db2.gz YFVDTNJYNCGDGA-QKPAOTATSA-N 2 1 353.463 0.459 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235499089 857426043 /nfs/dbraw/zinc/42/60/43/857426043.db2.gz YFVDTNJYNCGDGA-QKPAOTATSA-N 2 1 353.463 0.459 20 0 FCADMP [NH3+]CCCC[N@H+]1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001235569404 857429049 /nfs/dbraw/zinc/42/90/49/857429049.db2.gz JYCGSTRIPJGWOM-IKGGRYGDSA-N 2 1 366.487 0.178 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024945 857435759 /nfs/dbraw/zinc/43/57/59/857435759.db2.gz SSVICVLLLFWKGU-QWCKYMPWSA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024945 857435760 /nfs/dbraw/zinc/43/57/60/857435760.db2.gz SSVICVLLLFWKGU-QWCKYMPWSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024945 857435765 /nfs/dbraw/zinc/43/57/65/857435765.db2.gz SSVICVLLLFWKGU-QWCKYMPWSA-N 3 1 357.445 0.808 20 0 FCADMP CC1(C)NC[C@@H](C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)O1 ZINC001236387280 857441187 /nfs/dbraw/zinc/44/11/87/857441187.db2.gz XHGDPOXDDICKOQ-SFHVURJKSA-N 2 1 354.539 0.735 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)O1 ZINC001236387280 857441193 /nfs/dbraw/zinc/44/11/93/857441193.db2.gz XHGDPOXDDICKOQ-SFHVURJKSA-N 3 1 354.539 0.735 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)O1 ZINC001236387280 857441199 /nfs/dbraw/zinc/44/11/99/857441199.db2.gz XHGDPOXDDICKOQ-SFHVURJKSA-N 3 1 354.539 0.735 20 0 FCADMP CN(C)S(=O)(=O)N1C[C@@H]2CC[N@H+](CC3(C[NH+](C)C)CCCC3)[C@@H]2C1 ZINC001279491781 862912936 /nfs/dbraw/zinc/91/29/36/862912936.db2.gz GIGJMEBCZIEWLB-JKSUJKDBSA-N 2 1 358.552 0.921 20 0 FCADMP CN(C)S(=O)(=O)N1C[C@@H]2CC[N@@H+](CC3(C[NH+](C)C)CCCC3)[C@@H]2C1 ZINC001279491781 862912942 /nfs/dbraw/zinc/91/29/42/862912942.db2.gz GIGJMEBCZIEWLB-JKSUJKDBSA-N 2 1 358.552 0.921 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3cccc4c[nH+]cn43)C[C@H]2C1 ZINC001238102579 857461049 /nfs/dbraw/zinc/46/10/49/857461049.db2.gz BJYXWWVWSDZPAP-CABCVRRESA-N 2 1 363.487 0.894 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc4c[nH+]cn43)C[C@H]2C1 ZINC001238102579 857461058 /nfs/dbraw/zinc/46/10/58/857461058.db2.gz BJYXWWVWSDZPAP-CABCVRRESA-N 2 1 363.487 0.894 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001239082511 857510682 /nfs/dbraw/zinc/51/06/82/857510682.db2.gz XGQTVXFMXGQDEC-IKGGRYGDSA-N 2 1 367.519 0.346 20 0 FCADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239097982 857513829 /nfs/dbraw/zinc/51/38/29/857513829.db2.gz UORCGTNBDRSACH-KRWDZBQOSA-N 2 1 359.536 0.891 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]1C2 ZINC001246044318 857566227 /nfs/dbraw/zinc/56/62/27/857566227.db2.gz GRMOGKALTYXFFD-FWIBFFJGSA-N 2 1 354.447 0.020 20 0 FCADMP CN1CCC([N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C2CC[NH2+]CC2)CC1 ZINC001246061611 857567357 /nfs/dbraw/zinc/56/73/57/857567357.db2.gz ZAJKEFNXQCYTIY-SFHVURJKSA-N 3 1 354.539 0.000 20 0 FCADMP CN1CCC([N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C2CC[NH2+]CC2)CC1 ZINC001246061611 857567358 /nfs/dbraw/zinc/56/73/58/857567358.db2.gz ZAJKEFNXQCYTIY-SFHVURJKSA-N 3 1 354.539 0.000 20 0 FCADMP [NH3+]CCOCCOCCOCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246216710 857571513 /nfs/dbraw/zinc/57/15/13/857571513.db2.gz NTDNELWQSYEXSJ-PIIMJCKOSA-N 2 1 359.511 0.274 20 0 FCADMP O=S(=O)(c1ccccc1)N(C1CC[NH2+]CC1)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246530430 857584630 /nfs/dbraw/zinc/58/46/30/857584630.db2.gz YDVOLSACMPZTJA-INIZCTEOSA-N 2 1 364.515 0.523 20 0 FCADMP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246699311 857592354 /nfs/dbraw/zinc/59/23/54/857592354.db2.gz GRSXFQRPAZFIQE-ZPKVQBFDSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700545 857592587 /nfs/dbraw/zinc/59/25/87/857592587.db2.gz GYBYYHGOGWDTHS-LVEJAMMSSA-N 2 1 351.491 0.998 20 0 FCADMP CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750410 857596700 /nfs/dbraw/zinc/59/67/00/857596700.db2.gz XTFHNYHQLMTTDA-WBVHZDCISA-N 2 1 356.536 0.361 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752852 857598170 /nfs/dbraw/zinc/59/81/70/857598170.db2.gz JSXSKXYGEWJCGN-RZFLPCETSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752852 857598183 /nfs/dbraw/zinc/59/81/83/857598183.db2.gz JSXSKXYGEWJCGN-RZFLPCETSA-N 2 1 351.491 0.713 20 0 FCADMP CCOC(=O)[C@H]1CC12CCC(N1CC[NH2+]CCNCC[NH2+]CC1)CC2 ZINC001246823011 857601815 /nfs/dbraw/zinc/60/18/15/857601815.db2.gz UELIMFNIQKDKEZ-TVRKMHQQSA-N 2 1 352.523 0.583 20 0 FCADMP CCOC(=O)[C@]12CN([C@@H]3C[NH2+][C@](CC)(C(=O)OC)C3)C[C@H]1C[NH2+]CC2 ZINC001246855105 857603108 /nfs/dbraw/zinc/60/31/08/857603108.db2.gz JPGJBQBUHWHKHT-NONVJHHQSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855867 857603540 /nfs/dbraw/zinc/60/35/40/857603540.db2.gz QXGAUBZEFMKGDC-ATNYBXOESA-N 2 1 354.447 0.572 20 0 FCADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CSC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246932282 857606485 /nfs/dbraw/zinc/60/64/85/857606485.db2.gz CJQZARNGMMLYDG-QGZVFWFLSA-N 3 1 354.564 0.468 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CCN1 ZINC001247004602 857609007 /nfs/dbraw/zinc/60/90/07/857609007.db2.gz DWAQCMXNBRETQN-ILXRZTDVSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CN[C@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007261 857609078 /nfs/dbraw/zinc/60/90/78/857609078.db2.gz KBJZTCVMWSVUGH-DEYYWGMASA-N 2 1 353.463 0.145 20 0 FCADMP COC(=O)[C@]1(NC(=S)NCC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001249845709 857653307 /nfs/dbraw/zinc/65/33/07/857653307.db2.gz HIVILDJLSIDCOA-SFHVURJKSA-N 2 1 364.515 0.830 20 0 FCADMP O[C@H](COCC(F)(F)C(F)F)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001251584353 857733324 /nfs/dbraw/zinc/73/33/24/857733324.db2.gz WNNSVPNXGDIDGU-AWEZNQCLSA-N 2 1 371.419 0.978 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001251779941 857751171 /nfs/dbraw/zinc/75/11/71/857751171.db2.gz WSUGALVENISFNX-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252023148 857776023 /nfs/dbraw/zinc/77/60/23/857776023.db2.gz FWELOXJVKKGEMC-GUDVDZBRSA-N 2 1 355.523 0.645 20 0 FCADMP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252023148 857776027 /nfs/dbraw/zinc/77/60/27/857776027.db2.gz FWELOXJVKKGEMC-GUDVDZBRSA-N 2 1 355.523 0.645 20 0 FCADMP CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252023148 857776032 /nfs/dbraw/zinc/77/60/32/857776032.db2.gz FWELOXJVKKGEMC-GUDVDZBRSA-N 2 1 355.523 0.645 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253202485 857871682 /nfs/dbraw/zinc/87/16/82/857871682.db2.gz IWWJYXJPSDETNR-KLHDSHLOSA-N 2 1 357.495 0.913 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209383 857872731 /nfs/dbraw/zinc/87/27/31/857872731.db2.gz BDUOTYRDZOPLTI-ZIAGYGMSSA-N 2 1 361.483 0.735 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@H]2CCS(=O)(=O)C2)CC1 ZINC001254332422 857960158 /nfs/dbraw/zinc/96/01/58/857960158.db2.gz KARGBYDVDIUOPI-GVDBMIGSSA-N 2 1 369.531 0.581 20 0 FCADMP CCOC(=O)CN1CCC([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001254407706 857969843 /nfs/dbraw/zinc/96/98/43/857969843.db2.gz NCUSTHWQQKTXKC-ZWKOTPCHSA-N 2 1 352.523 0.724 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279590623 862970581 /nfs/dbraw/zinc/97/05/81/862970581.db2.gz FYINNKURYFZOIJ-LJQANCHMSA-N 2 1 354.539 0.829 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279590623 862970594 /nfs/dbraw/zinc/97/05/94/862970594.db2.gz FYINNKURYFZOIJ-LJQANCHMSA-N 2 1 354.539 0.829 20 0 FCADMP C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001254515667 857976476 /nfs/dbraw/zinc/97/64/76/857976476.db2.gz ANQUKALJBNDPKW-OAHLLOKOSA-N 2 1 352.504 0.859 20 0 FCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CCC[N@@H+](C)CC2)S(C)(=O)=O)cn1 ZINC001254519667 857977211 /nfs/dbraw/zinc/97/72/11/857977211.db2.gz UPPWKQASPIKBHC-YESZJQIVSA-N 2 1 369.535 0.439 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC001255485470 858015277 /nfs/dbraw/zinc/01/52/77/858015277.db2.gz PMKCLJNGBSLQHO-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001255485470 858015288 /nfs/dbraw/zinc/01/52/88/858015288.db2.gz PMKCLJNGBSLQHO-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001255485470 858015297 /nfs/dbraw/zinc/01/52/97/858015297.db2.gz PMKCLJNGBSLQHO-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616986 862982148 /nfs/dbraw/zinc/98/21/48/862982148.db2.gz UDESJTXJFQANON-AYHJJNSGSA-N 2 1 372.579 0.805 20 0 FCADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616986 862982155 /nfs/dbraw/zinc/98/21/55/862982155.db2.gz UDESJTXJFQANON-AYHJJNSGSA-N 2 1 372.579 0.805 20 0 FCADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616986 862982161 /nfs/dbraw/zinc/98/21/61/862982161.db2.gz UDESJTXJFQANON-AYHJJNSGSA-N 2 1 372.579 0.805 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001258150016 858180117 /nfs/dbraw/zinc/18/01/17/858180117.db2.gz WPVFWCGLZHPSLW-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC([N@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001258775052 858210568 /nfs/dbraw/zinc/21/05/68/858210568.db2.gz YDLBMCZCSNAIET-CVEARBPZSA-N 2 1 358.552 0.921 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC001261310797 858514451 /nfs/dbraw/zinc/51/44/51/858514451.db2.gz ZTGGXRUWHBKLEC-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC001262214632 858821738 /nfs/dbraw/zinc/82/17/38/858821738.db2.gz WUEZHLOQUIVTLJ-HNNXBMFYSA-N 2 1 351.499 0.704 20 0 FCADMP CSC1(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764508 859207182 /nfs/dbraw/zinc/20/71/82/859207182.db2.gz LFVNSJYQBUFIGB-LSDHHAIUSA-N 2 1 357.568 0.747 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264655471 859416532 /nfs/dbraw/zinc/41/65/32/859416532.db2.gz BHBWJLKJTUUUIY-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1csc(=O)n1CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268237087 859526572 /nfs/dbraw/zinc/52/65/72/859526572.db2.gz KKHKLMMCQFFUGI-HUUCEWRRSA-N 2 1 354.520 0.949 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237087 859526578 /nfs/dbraw/zinc/52/65/78/859526578.db2.gz KKHKLMMCQFFUGI-HUUCEWRRSA-N 2 1 354.520 0.949 20 0 FCADMP Cc1csc(=O)n1CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237087 859526583 /nfs/dbraw/zinc/52/65/83/859526583.db2.gz KKHKLMMCQFFUGI-HUUCEWRRSA-N 2 1 354.520 0.949 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001270175420 859677880 /nfs/dbraw/zinc/67/78/80/859677880.db2.gz DPWSNRFZCUTSFN-UHFFFAOYSA-N 2 1 367.412 0.150 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001270175420 859677888 /nfs/dbraw/zinc/67/78/88/859677888.db2.gz DPWSNRFZCUTSFN-UHFFFAOYSA-N 2 1 367.412 0.150 20 0 FCADMP CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001270175896 859677926 /nfs/dbraw/zinc/67/79/26/859677926.db2.gz NXVBHHXRIMAWRC-QGZVFWFLSA-N 2 1 355.523 0.634 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CO)n3ccnc3)[C@@H]2C1 ZINC001272468334 860161207 /nfs/dbraw/zinc/16/12/07/860161207.db2.gz YAXFXQIKKQCHSP-RRFJBIMHSA-N 2 1 361.471 0.914 20 0 FCADMP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)CN3CC[NH+](C)CC3)(C1)CCC2 ZINC001272866904 860284844 /nfs/dbraw/zinc/28/48/44/860284844.db2.gz ADVZDJLTUOQTJT-RBUKOAKNSA-N 2 1 351.539 0.347 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001273512703 860515595 /nfs/dbraw/zinc/51/55/95/860515595.db2.gz WWTFWMXONICLGD-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001273512703 860515596 /nfs/dbraw/zinc/51/55/96/860515596.db2.gz WWTFWMXONICLGD-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001273512703 860515599 /nfs/dbraw/zinc/51/55/99/860515599.db2.gz WWTFWMXONICLGD-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@H+]1CCC[C@H](CC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274195771 860706023 /nfs/dbraw/zinc/70/60/23/860706023.db2.gz VFYNOPLCKQAHMQ-OAHLLOKOSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@H+]1CCC[C@@H](CC(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274195770 860706172 /nfs/dbraw/zinc/70/61/72/860706172.db2.gz VFYNOPLCKQAHMQ-HNNXBMFYSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C[C@H](C1)O2 ZINC001274924902 860872670 /nfs/dbraw/zinc/87/26/70/860872670.db2.gz SLBGWGNHZJHLGL-KSZLIROESA-N 2 1 350.507 0.334 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515310 861118805 /nfs/dbraw/zinc/11/88/05/861118805.db2.gz KATLWIGJCUZEHP-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001275668033 861150947 /nfs/dbraw/zinc/15/09/47/861150947.db2.gz CHWIMJWTRNQAHG-CHWSQXEVSA-N 2 1 352.483 0.023 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736503 861180322 /nfs/dbraw/zinc/18/03/22/861180322.db2.gz FEXSHJZHDYGPOO-LJQANCHMSA-N 2 1 350.507 0.827 20 0 FCADMP COC(C)(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738028 861182079 /nfs/dbraw/zinc/18/20/79/861182079.db2.gz RTYNWEILFOKMBA-IBGZPJMESA-N 2 1 353.507 0.962 20 0 FCADMP NC(=O)CCCCCN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738282 861182220 /nfs/dbraw/zinc/18/22/20/861182220.db2.gz XTZOIFMRVPTBGA-IBGZPJMESA-N 2 1 350.507 0.956 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001279976190 863163031 /nfs/dbraw/zinc/16/30/31/863163031.db2.gz ZKGKKMYLNVBJDY-UHFFFAOYSA-N 2 1 355.552 0.299 20 0 FCADMP CC(C)OCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280082011 863251880 /nfs/dbraw/zinc/25/18/80/863251880.db2.gz CMLPODQVJQSHLO-IRXDYDNUSA-N 2 1 352.523 0.485 20 0 FCADMP CN(C(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12)C1CC(F)(F)C1 ZINC001280134718 863285762 /nfs/dbraw/zinc/28/57/62/863285762.db2.gz GEKQHZPCICVSAZ-UONOGXRCSA-N 2 1 356.417 0.929 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]23)CC1 ZINC001280136853 863287197 /nfs/dbraw/zinc/28/71/97/863287197.db2.gz RYPKOJZQAMCVPV-VNQPRFMTSA-N 2 1 350.463 0.310 20 0 FCADMP CS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280138446 863288497 /nfs/dbraw/zinc/28/84/97/863288497.db2.gz YUZSDGQVJJFLEH-WMZOPIPTSA-N 2 1 371.547 0.639 20 0 FCADMP C[NH+]1CCC(C)(C[NH+]2CC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280211373 863340844 /nfs/dbraw/zinc/34/08/44/863340844.db2.gz SAYBQUSWSAZUSP-CQSZACIVSA-N 2 1 357.520 0.201 20 0 FCADMP C[N@H+]1CCC[C@@H](CN2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280262035 863368566 /nfs/dbraw/zinc/36/85/66/863368566.db2.gz WQNQMHNVINSELD-GDBMZVCRSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280262035 863368575 /nfs/dbraw/zinc/36/85/75/863368575.db2.gz WQNQMHNVINSELD-GDBMZVCRSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280262035 863368583 /nfs/dbraw/zinc/36/85/83/863368583.db2.gz WQNQMHNVINSELD-GDBMZVCRSA-N 2 1 353.532 0.898 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001280391421 863421230 /nfs/dbraw/zinc/42/12/30/863421230.db2.gz QNJANZVWYQHELE-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001280391421 863421234 /nfs/dbraw/zinc/42/12/34/863421234.db2.gz QNJANZVWYQHELE-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001280391421 863421239 /nfs/dbraw/zinc/42/12/39/863421239.db2.gz QNJANZVWYQHELE-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001281848911 863820519 /nfs/dbraw/zinc/82/05/19/863820519.db2.gz YAFCZVKBSHIYJY-INMHGKMJSA-N 2 1 356.511 0.256 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[NH+](C)C2CCC2)C2CC2)CC[N@H+]1C ZINC001284737928 864594736 /nfs/dbraw/zinc/59/47/36/864594736.db2.gz ZGNCNFVVFUAKAV-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[N@H+](C)C2CCC2)C2CC2)CC[NH+]1C ZINC001284737928 864594741 /nfs/dbraw/zinc/59/47/41/864594741.db2.gz ZGNCNFVVFUAKAV-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C[N@@H+](C)C2CCC2)C2CC2)CC[NH+]1C ZINC001284737928 864594746 /nfs/dbraw/zinc/59/47/46/864594746.db2.gz ZGNCNFVVFUAKAV-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001288988689 864838779 /nfs/dbraw/zinc/83/87/79/864838779.db2.gz JUIRJSGDUVDDCY-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001289816102 865288472 /nfs/dbraw/zinc/28/84/72/865288472.db2.gz KXMPIVNCOHLXBZ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001289833653 865292997 /nfs/dbraw/zinc/29/29/97/865292997.db2.gz VHACVRWFUDTBHK-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001289833653 865293007 /nfs/dbraw/zinc/29/30/07/865293007.db2.gz VHACVRWFUDTBHK-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001289833653 865293019 /nfs/dbraw/zinc/29/30/19/865293019.db2.gz VHACVRWFUDTBHK-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001293091610 865775713 /nfs/dbraw/zinc/77/57/13/865775713.db2.gz GAPDCJZDNKCRTQ-GOSISDBHSA-N 2 1 350.511 0.828 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001349617648 866397717 /nfs/dbraw/zinc/39/77/17/866397717.db2.gz QAVDNTZMGOXBCI-OAHLLOKOSA-N 2 1 354.520 0.094 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001351410325 866851696 /nfs/dbraw/zinc/85/16/96/866851696.db2.gz SXSCCDWDCDFXAW-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001351410325 866851707 /nfs/dbraw/zinc/85/17/07/866851707.db2.gz SXSCCDWDCDFXAW-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC001353150572 867361676 /nfs/dbraw/zinc/36/16/76/867361676.db2.gz UGLVLGFWGANHHF-LSDHHAIUSA-N 2 1 360.449 0.144 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001353188277 867371751 /nfs/dbraw/zinc/37/17/51/867371751.db2.gz NCMFUZULXRWLTL-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC001353245179 867381150 /nfs/dbraw/zinc/38/11/50/867381150.db2.gz JLMYGDNMJKACEE-JYJNAYRXSA-N 2 1 354.495 0.237 20 0 FCADMP O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001353448248 867424324 /nfs/dbraw/zinc/42/43/24/867424324.db2.gz OPFSKICNBYDHMR-OWSLCNJRSA-N 2 1 351.491 0.857 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001353614450 867456661 /nfs/dbraw/zinc/45/66/61/867456661.db2.gz ZTYRIRCDILIWKC-GXFFZTMASA-N 2 1 358.236 0.644 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H](CF)C1 ZINC001356223037 867959482 /nfs/dbraw/zinc/95/94/82/867959482.db2.gz AZWBPVHDVMVMSD-OAHLLOKOSA-N 2 1 356.486 0.679 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H](CF)C1 ZINC001356223037 867959488 /nfs/dbraw/zinc/95/94/88/867959488.db2.gz AZWBPVHDVMVMSD-OAHLLOKOSA-N 2 1 356.486 0.679 20 0 FCADMP C[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC001322771403 868939132 /nfs/dbraw/zinc/93/91/32/868939132.db2.gz RXOBFDARDYVTDP-QGZVFWFLSA-N 2 1 351.539 0.108 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001322860333 868972770 /nfs/dbraw/zinc/97/27/70/868972770.db2.gz CMGYDEDUOLNTSK-SFHVURJKSA-N 2 1 351.539 0.299 20 0 FCADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001324881298 869702715 /nfs/dbraw/zinc/70/27/15/869702715.db2.gz HNAUSYLBZHIMBW-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001324881298 869702718 /nfs/dbraw/zinc/70/27/18/869702718.db2.gz HNAUSYLBZHIMBW-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001343443588 870430649 /nfs/dbraw/zinc/43/06/49/870430649.db2.gz AJKZGMOYHICKJY-LSDHHAIUSA-N 2 1 351.520 0.056 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001326882514 870550617 /nfs/dbraw/zinc/55/06/17/870550617.db2.gz DVUSIVCPJVTEBP-BXWFABGCSA-N 2 1 350.507 0.764 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)N1 ZINC001326983364 870603750 /nfs/dbraw/zinc/60/37/50/870603750.db2.gz AOOIDPGAHRYVPG-DBQDNQAGSA-N 2 1 350.463 0.740 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001328750578 871606735 /nfs/dbraw/zinc/60/67/35/871606735.db2.gz VNHMAMHLVJGJDI-DZGCQCFKSA-N 2 1 350.463 0.955 20 0 FCADMP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001328923948 871716199 /nfs/dbraw/zinc/71/61/99/871716199.db2.gz WBMRUWDCWYEQLE-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001328923948 871716209 /nfs/dbraw/zinc/71/62/09/871716209.db2.gz WBMRUWDCWYEQLE-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346265017 871737306 /nfs/dbraw/zinc/73/73/06/871737306.db2.gz RTZNBFVSMILSBK-JKSUJKDBSA-N 2 1 353.511 0.761 20 0 FCADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289648 871753644 /nfs/dbraw/zinc/75/36/44/871753644.db2.gz WWLZQIBNZQXHKV-QAPCUYQASA-N 2 1 359.511 0.897 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001329021981 871778584 /nfs/dbraw/zinc/77/85/84/871778584.db2.gz ARFKABYBUMSYCV-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606331 871927881 /nfs/dbraw/zinc/92/78/81/871927881.db2.gz KKTFQOMPHSDIPW-PMPSAXMXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346606331 871927895 /nfs/dbraw/zinc/92/78/95/871927895.db2.gz KKTFQOMPHSDIPW-PMPSAXMXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346606331 871927908 /nfs/dbraw/zinc/92/79/08/871927908.db2.gz KKTFQOMPHSDIPW-PMPSAXMXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001347187300 872210392 /nfs/dbraw/zinc/21/03/92/872210392.db2.gz QESATBOAJOUEEY-RDJZCZTQSA-N 2 1 353.511 0.127 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347335761 872281212 /nfs/dbraw/zinc/28/12/12/872281212.db2.gz NEYDPTNFQAKZGD-WBVHZDCISA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001347335761 872281247 /nfs/dbraw/zinc/28/12/47/872281247.db2.gz NEYDPTNFQAKZGD-WBVHZDCISA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001347335761 872281264 /nfs/dbraw/zinc/28/12/64/872281264.db2.gz NEYDPTNFQAKZGD-WBVHZDCISA-N 2 1 355.527 0.421 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)CC[C@H]21 ZINC001330619678 872737209 /nfs/dbraw/zinc/73/72/09/872737209.db2.gz RWNNINSFGPWVTA-GRYCIOLGSA-N 2 1 354.405 0.916 20 0 FCADMP C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330776822 872809186 /nfs/dbraw/zinc/80/91/86/872809186.db2.gz AXHUMXLISSOANU-CZUORRHYSA-N 2 1 350.467 0.100 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331906816 873299235 /nfs/dbraw/zinc/29/92/35/873299235.db2.gz XNSPICAMOQUKER-SJORKVTESA-N 2 1 353.511 0.163 20 0 FCADMP CCN(C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC001332234355 873418058 /nfs/dbraw/zinc/41/80/58/873418058.db2.gz WPRCVIWCJJCCEH-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925479 948974680 /nfs/dbraw/zinc/97/46/80/948974680.db2.gz ALFMCEJGCPLKOE-GFCCVEGCSA-N 2 1 360.466 0.578 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263581 949403725 /nfs/dbraw/zinc/40/37/25/949403725.db2.gz IEZSVGHHRLOWNO-CXAGYDPISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712700 949586195 /nfs/dbraw/zinc/58/61/95/949586195.db2.gz TUDWRLPIGYFRHR-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712700 949586216 /nfs/dbraw/zinc/58/62/16/949586216.db2.gz TUDWRLPIGYFRHR-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571037161 951618124 /nfs/dbraw/zinc/61/81/24/951618124.db2.gz IXHMWPHOVOYQJN-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571037161 951618130 /nfs/dbraw/zinc/61/81/30/951618130.db2.gz IXHMWPHOVOYQJN-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571037441 951628000 /nfs/dbraw/zinc/62/80/00/951628000.db2.gz MVVIBGOPQQDEKE-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571037441 951628003 /nfs/dbraw/zinc/62/80/03/951628003.db2.gz MVVIBGOPQQDEKE-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099816 951840006 /nfs/dbraw/zinc/84/00/06/951840006.db2.gz OXBMAAIJWJXPQV-YPMHNXCESA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575100150 951842323 /nfs/dbraw/zinc/84/23/23/951842323.db2.gz RCEKUSSIFOVIME-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575109561 951931866 /nfs/dbraw/zinc/93/18/66/951931866.db2.gz SMSKOZRZGKHHIU-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113891 951949209 /nfs/dbraw/zinc/94/92/09/951949209.db2.gz HRVRBMVUKDFHKD-CZUORRHYSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001571064056 951969949 /nfs/dbraw/zinc/96/99/49/951969949.db2.gz QQKRLVGTAKNFFB-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001571064056 951969955 /nfs/dbraw/zinc/96/99/55/951969955.db2.gz QQKRLVGTAKNFFB-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001571064056 951969960 /nfs/dbraw/zinc/96/99/60/951969960.db2.gz QQKRLVGTAKNFFB-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575146599 952195258 /nfs/dbraw/zinc/19/52/58/952195258.db2.gz LYTGVQFNLDOSEA-MJBXVCDLSA-N 2 1 372.477 0.673 20 0 FCADMP O=C(CC[C@@H]1CCC[NH2+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000292028605 214073191 /nfs/dbraw/zinc/07/31/91/214073191.db2.gz GLGLMRPIUPFSQS-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP CN(C)C(=O)CN(C)Cc1cc(C[N@H+](C)CC(=O)N(C)C)ccc1F ZINC000296597709 214355601 /nfs/dbraw/zinc/35/56/01/214355601.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 1 352.454 0.866 20 0 FCADMP CN(C)C(=O)CN(C)Cc1cc(C[N@@H+](C)CC(=O)N(C)C)ccc1F ZINC000296597709 214355603 /nfs/dbraw/zinc/35/56/03/214355603.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 1 352.454 0.866 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000410576256 529696463 /nfs/dbraw/zinc/69/64/63/529696463.db2.gz PZEGWUHMOIOQRR-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000410576256 529696464 /nfs/dbraw/zinc/69/64/64/529696464.db2.gz PZEGWUHMOIOQRR-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000410720274 529697139 /nfs/dbraw/zinc/69/71/39/529697139.db2.gz RGXODIGICVNDIZ-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410785044 529696625 /nfs/dbraw/zinc/69/66/25/529696625.db2.gz SMCZYEKKYQFZRO-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410785044 529696626 /nfs/dbraw/zinc/69/66/26/529696626.db2.gz SMCZYEKKYQFZRO-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC[C@@H]21 ZINC000410780696 529799126 /nfs/dbraw/zinc/79/91/26/529799126.db2.gz UYORHUIBYWGXRB-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000410780696 529799128 /nfs/dbraw/zinc/79/91/28/529799128.db2.gz UYORHUIBYWGXRB-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000410780696 529799130 /nfs/dbraw/zinc/79/91/30/529799130.db2.gz UYORHUIBYWGXRB-VSZNYVQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC[C@H]21 ZINC000410780697 529799536 /nfs/dbraw/zinc/79/95/36/529799536.db2.gz UYORHUIBYWGXRB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000410780697 529799537 /nfs/dbraw/zinc/79/95/37/529799537.db2.gz UYORHUIBYWGXRB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000410780697 529799538 /nfs/dbraw/zinc/79/95/38/529799538.db2.gz UYORHUIBYWGXRB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000265693344 210199092 /nfs/dbraw/zinc/19/90/92/210199092.db2.gz FZQMJMXKDHNNAM-UONOGXRCSA-N 2 1 351.451 0.521 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000265693344 210199094 /nfs/dbraw/zinc/19/90/94/210199094.db2.gz FZQMJMXKDHNNAM-UONOGXRCSA-N 2 1 351.451 0.521 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923270 529810454 /nfs/dbraw/zinc/81/04/54/529810454.db2.gz BKCCZNFGPVMMOX-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779167 529886273 /nfs/dbraw/zinc/88/62/73/529886273.db2.gz HLIIRJUTHUIDPM-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410522349 529900601 /nfs/dbraw/zinc/90/06/01/529900601.db2.gz GKGGYRVSLAHRPF-UHFFFAOYSA-N 2 1 361.490 0.754 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410522349 529900602 /nfs/dbraw/zinc/90/06/02/529900602.db2.gz GKGGYRVSLAHRPF-UHFFFAOYSA-N 2 1 361.490 0.754 20 0 FCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410464267 529929739 /nfs/dbraw/zinc/92/97/39/529929739.db2.gz CZTPFFXNUVSYEY-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410464267 529929740 /nfs/dbraw/zinc/92/97/40/529929740.db2.gz CZTPFFXNUVSYEY-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)cc2C1 ZINC000265507893 210152604 /nfs/dbraw/zinc/15/26/04/210152604.db2.gz DDEZQFMPVBJWLE-INIZCTEOSA-N 2 1 373.457 0.027 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)cc2C1 ZINC000265507893 210152608 /nfs/dbraw/zinc/15/26/08/210152608.db2.gz DDEZQFMPVBJWLE-INIZCTEOSA-N 2 1 373.457 0.027 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2C1 ZINC000265507893 210152612 /nfs/dbraw/zinc/15/26/12/210152612.db2.gz DDEZQFMPVBJWLE-INIZCTEOSA-N 2 1 373.457 0.027 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2C1 ZINC000265507893 210152615 /nfs/dbraw/zinc/15/26/15/210152615.db2.gz DDEZQFMPVBJWLE-INIZCTEOSA-N 2 1 373.457 0.027 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000265352967 210103644 /nfs/dbraw/zinc/10/36/44/210103644.db2.gz BUZMYXNOAQPEDB-MRXNPFEDSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000265352967 210103647 /nfs/dbraw/zinc/10/36/47/210103647.db2.gz BUZMYXNOAQPEDB-MRXNPFEDSA-N 2 1 360.506 0.986 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000331482550 215003952 /nfs/dbraw/zinc/00/39/52/215003952.db2.gz BAJVAFQRKZRTRJ-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562849 215015608 /nfs/dbraw/zinc/01/56/08/215015608.db2.gz SKKUKRAWWWLETD-IIDMSEBBSA-N 2 1 368.547 0.483 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562848 215016139 /nfs/dbraw/zinc/01/61/39/215016139.db2.gz SKKUKRAWWWLETD-HDMKZQKVSA-N 2 1 368.547 0.483 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCSC1 ZINC000331624115 215025121 /nfs/dbraw/zinc/02/51/21/215025121.db2.gz GAHUFNVIVLTCKM-YOEHRIQHSA-N 2 1 354.520 0.237 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCSC1 ZINC000331624115 215025125 /nfs/dbraw/zinc/02/51/25/215025125.db2.gz GAHUFNVIVLTCKM-YOEHRIQHSA-N 2 1 354.520 0.237 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331690011 215035420 /nfs/dbraw/zinc/03/54/20/215035420.db2.gz UQDGLIQSEKPZRY-NCOADZHNSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331690011 215035424 /nfs/dbraw/zinc/03/54/24/215035424.db2.gz UQDGLIQSEKPZRY-NCOADZHNSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)[N@H+](C)C1 ZINC000331690011 215035427 /nfs/dbraw/zinc/03/54/27/215035427.db2.gz UQDGLIQSEKPZRY-NCOADZHNSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)[N@@H+](C)C1 ZINC000331690011 215035429 /nfs/dbraw/zinc/03/54/29/215035429.db2.gz UQDGLIQSEKPZRY-NCOADZHNSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331690013 215035491 /nfs/dbraw/zinc/03/54/91/215035491.db2.gz UQDGLIQSEKPZRY-QAETUUGQSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331690013 215035494 /nfs/dbraw/zinc/03/54/94/215035494.db2.gz UQDGLIQSEKPZRY-QAETUUGQSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)[N@H+](C)C1 ZINC000331690013 215035497 /nfs/dbraw/zinc/03/54/97/215035497.db2.gz UQDGLIQSEKPZRY-QAETUUGQSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)[N@@H+](C)C1 ZINC000331690013 215035500 /nfs/dbraw/zinc/03/55/00/215035500.db2.gz UQDGLIQSEKPZRY-QAETUUGQSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[NH+](C)C1 ZINC000331700986 215036172 /nfs/dbraw/zinc/03/61/72/215036172.db2.gz XYKDXMDKUBEMFZ-QAETUUGQSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)[N@H+](C)C1 ZINC000331700986 215036173 /nfs/dbraw/zinc/03/61/73/215036173.db2.gz XYKDXMDKUBEMFZ-QAETUUGQSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)[N@@H+](C)C1 ZINC000331700986 215036176 /nfs/dbraw/zinc/03/61/76/215036176.db2.gz XYKDXMDKUBEMFZ-QAETUUGQSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000331697267 215036458 /nfs/dbraw/zinc/03/64/58/215036458.db2.gz WXFZZZLGLCRJFS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000331697267 215036460 /nfs/dbraw/zinc/03/64/60/215036460.db2.gz WXFZZZLGLCRJFS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331697267 215036464 /nfs/dbraw/zinc/03/64/64/215036464.db2.gz WXFZZZLGLCRJFS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000331718161 215038555 /nfs/dbraw/zinc/03/85/55/215038555.db2.gz PVIAZOSRRJPHOB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)[C@@H]2C1 ZINC000331718161 215038558 /nfs/dbraw/zinc/03/85/58/215038558.db2.gz PVIAZOSRRJPHOB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)[C@@H]2C1 ZINC000331718161 215038561 /nfs/dbraw/zinc/03/85/61/215038561.db2.gz PVIAZOSRRJPHOB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H](C)C1 ZINC000331727519 215040003 /nfs/dbraw/zinc/04/00/03/215040003.db2.gz YMMDXBGQXBPMJH-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000331727519 215040005 /nfs/dbraw/zinc/04/00/05/215040005.db2.gz YMMDXBGQXBPMJH-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000331727519 215040008 /nfs/dbraw/zinc/04/00/08/215040008.db2.gz YMMDXBGQXBPMJH-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000265127543 210061275 /nfs/dbraw/zinc/06/12/75/210061275.db2.gz XOJJHAMKDIICSE-UHFFFAOYSA-N 2 1 372.429 0.433 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000332028198 215081730 /nfs/dbraw/zinc/08/17/30/215081730.db2.gz XYPQNPFIEACXLU-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC[C@@H]21 ZINC000332059761 215084990 /nfs/dbraw/zinc/08/49/90/215084990.db2.gz XGBSKAMWKMQWRX-IKGGRYGDSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000332325363 215130841 /nfs/dbraw/zinc/13/08/41/215130841.db2.gz XEIRNPHXKAJBAF-MPTYRVRUSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000332325356 215131046 /nfs/dbraw/zinc/13/10/46/215131046.db2.gz XEIRNPHXKAJBAF-LJIGWXMPSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334827 215133003 /nfs/dbraw/zinc/13/30/03/215133003.db2.gz VNXJZVYKCULIQX-SPUZQDLCSA-N 2 1 358.486 0.738 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@@H]1C ZINC000332383662 215140686 /nfs/dbraw/zinc/14/06/86/215140686.db2.gz HZCAIPFZDJZAJQ-DIECFANBSA-N 2 1 366.506 0.282 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@@H]1C ZINC000332383662 215140690 /nfs/dbraw/zinc/14/06/90/215140690.db2.gz HZCAIPFZDJZAJQ-DIECFANBSA-N 2 1 366.506 0.282 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@@H]1C ZINC000332383659 215141651 /nfs/dbraw/zinc/14/16/51/215141651.db2.gz HZCAIPFZDJZAJQ-ABFRBSLYSA-N 2 1 366.506 0.282 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@@H]1C ZINC000332383659 215141655 /nfs/dbraw/zinc/14/16/55/215141655.db2.gz HZCAIPFZDJZAJQ-ABFRBSLYSA-N 2 1 366.506 0.282 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332462427 215156789 /nfs/dbraw/zinc/15/67/89/215156789.db2.gz JPDGJKKMVWGJBF-OWCLPIDISA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332460396 215155070 /nfs/dbraw/zinc/15/50/70/215155070.db2.gz HPKOKXUHIJDLEJ-ZGRYLRDCSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332460395 215155345 /nfs/dbraw/zinc/15/53/45/215155345.db2.gz HPKOKXUHIJDLEJ-VXLLPVPCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000332592755 215186729 /nfs/dbraw/zinc/18/67/29/215186729.db2.gz MIXMSDYVRRBAQT-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332665751 215202492 /nfs/dbraw/zinc/20/24/92/215202492.db2.gz OEQFIBOZEQOFKL-KSZLIROESA-N 2 1 358.486 0.738 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332665751 215202494 /nfs/dbraw/zinc/20/24/94/215202494.db2.gz OEQFIBOZEQOFKL-KSZLIROESA-N 2 1 358.486 0.738 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333128701 215239605 /nfs/dbraw/zinc/23/96/05/215239605.db2.gz BJWNYUUGYJRHIY-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333128701 215239609 /nfs/dbraw/zinc/23/96/09/215239609.db2.gz BJWNYUUGYJRHIY-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@@H]21 ZINC000333258751 215256360 /nfs/dbraw/zinc/25/63/60/215256360.db2.gz DOSBWVNNXMWMDM-ZBFHGGJFSA-N 2 1 359.478 0.834 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333298174 215260492 /nfs/dbraw/zinc/26/04/92/215260492.db2.gz IOIPAQBYRVRFNG-ULQDDVLXSA-N 2 1 354.495 0.635 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333442133 215282439 /nfs/dbraw/zinc/28/24/39/215282439.db2.gz WFMBGRFTZBLYID-BBWFWOEESA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333442133 215282442 /nfs/dbraw/zinc/28/24/42/215282442.db2.gz WFMBGRFTZBLYID-BBWFWOEESA-N 2 1 367.538 0.563 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333486567 215288018 /nfs/dbraw/zinc/28/80/18/215288018.db2.gz CSXPPMHKRSFDRQ-CQSZACIVSA-N 2 1 365.444 0.948 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333484389 215288783 /nfs/dbraw/zinc/28/87/83/215288783.db2.gz CMPOJMHQCOQMMM-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333484389 215288786 /nfs/dbraw/zinc/28/87/86/215288786.db2.gz CMPOJMHQCOQMMM-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC1(C)CC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC(C)(C)[NH2+]1 ZINC000333466011 215286091 /nfs/dbraw/zinc/28/60/91/215286091.db2.gz ZXXHCNHEHCTDQB-OAHLLOKOSA-N 2 1 365.522 0.901 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333573389 215298739 /nfs/dbraw/zinc/29/87/39/215298739.db2.gz MSWVOUIFSMLHKR-CVEARBPZSA-N 2 1 354.495 0.779 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333594566 215299236 /nfs/dbraw/zinc/29/92/36/215299236.db2.gz VQGIWXFKFAHIHB-SOLBZPMBSA-N 2 1 368.522 0.896 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333641278 215302928 /nfs/dbraw/zinc/30/29/28/215302928.db2.gz IHQFHZVXXRNXDA-UONOGXRCSA-N 2 1 363.428 0.702 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1 ZINC000333637556 215302974 /nfs/dbraw/zinc/30/29/74/215302974.db2.gz WTEKLMDDDZPWDT-TUKIKUTGSA-N 2 1 367.396 0.986 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1 ZINC000333637556 215302977 /nfs/dbraw/zinc/30/29/77/215302977.db2.gz WTEKLMDDDZPWDT-TUKIKUTGSA-N 2 1 367.396 0.986 20 0 FCADMP CN1CCN(C(=O)CC[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 ZINC000333636305 215303796 /nfs/dbraw/zinc/30/37/96/215303796.db2.gz BNSDMJIDWJTJAN-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000333676009 215307626 /nfs/dbraw/zinc/30/76/26/215307626.db2.gz NYEPDMCTIVRBEK-MELADBBJSA-N 2 1 365.444 0.947 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C1 ZINC000333707848 215310215 /nfs/dbraw/zinc/31/02/15/215310215.db2.gz RVAWEJPVZLBWOX-DAWZGUTISA-N 2 1 367.538 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000333733814 215313204 /nfs/dbraw/zinc/31/32/04/215313204.db2.gz WOTWDDCFNPRIFX-XQQFMLRXSA-N 2 1 351.417 0.557 20 0 FCADMP C[C@H]1NC(=O)N(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803948 215319492 /nfs/dbraw/zinc/31/94/92/215319492.db2.gz DXASZPAVTMZASM-QLFBSQMISA-N 2 1 352.479 0.748 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333803873 215319534 /nfs/dbraw/zinc/31/95/34/215319534.db2.gz IFHYTHWAQHSJNW-BZUAXINKSA-N 2 1 351.495 0.357 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811425 215321312 /nfs/dbraw/zinc/32/13/12/215321312.db2.gz JJJNBSRZUBXWRE-KZNAEPCWSA-N 2 1 367.538 0.421 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851103 215324491 /nfs/dbraw/zinc/32/44/91/215324491.db2.gz QAXZMHOTJSJXHK-SCNOPHJPSA-N 2 1 363.506 0.511 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C[C@@H]21 ZINC000333825713 215322936 /nfs/dbraw/zinc/32/29/36/215322936.db2.gz KPEZYLLLQBQHQY-SJORKVTESA-N 2 1 358.490 0.679 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000333835013 215323028 /nfs/dbraw/zinc/32/30/28/215323028.db2.gz NEXIEKJQXLNRFP-INIZCTEOSA-N 2 1 353.511 0.304 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333885991 215328446 /nfs/dbraw/zinc/32/84/46/215328446.db2.gz VWYPWVYNWNWCBS-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333952106 215332976 /nfs/dbraw/zinc/33/29/76/215332976.db2.gz ZQXLNQQBFASRFE-MCIONIFRSA-N 2 1 363.428 0.749 20 0 FCADMP NS(=O)(=O)CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285787195 213394762 /nfs/dbraw/zinc/39/47/62/213394762.db2.gz FDPNXDRHMSQLEM-SFHVURJKSA-N 2 1 366.531 0.557 20 0 FCADMP NS(=O)(=O)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285787195 213394765 /nfs/dbraw/zinc/39/47/65/213394765.db2.gz FDPNXDRHMSQLEM-SFHVURJKSA-N 2 1 366.531 0.557 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000361106788 215381311 /nfs/dbraw/zinc/38/13/11/215381311.db2.gz OWGUWBATHZBYGU-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000361106788 215381313 /nfs/dbraw/zinc/38/13/13/215381313.db2.gz OWGUWBATHZBYGU-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000361106788 215381315 /nfs/dbraw/zinc/38/13/15/215381315.db2.gz OWGUWBATHZBYGU-KURKYZTESA-N 2 1 351.539 0.996 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000284854774 213234517 /nfs/dbraw/zinc/23/45/17/213234517.db2.gz ATLLQUGGFHTNBE-UHFFFAOYSA-N 2 1 372.473 0.992 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cn1 ZINC000284796031 213222576 /nfs/dbraw/zinc/22/25/76/213222576.db2.gz GKXWZPAAVDDWEN-ZDUSSCGKSA-N 2 1 358.446 0.648 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284399108 213130847 /nfs/dbraw/zinc/13/08/47/213130847.db2.gz WHHXVMSPAUHIAS-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284399108 213130850 /nfs/dbraw/zinc/13/08/50/213130850.db2.gz WHHXVMSPAUHIAS-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284399115 213130503 /nfs/dbraw/zinc/13/05/03/213130503.db2.gz WHHXVMSPAUHIAS-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284399115 213130506 /nfs/dbraw/zinc/13/05/06/213130506.db2.gz WHHXVMSPAUHIAS-HUUCEWRRSA-N 2 1 350.463 0.847 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000284326508 213112498 /nfs/dbraw/zinc/11/24/98/213112498.db2.gz QBJDMQBGTNZAGK-GASCZTMLSA-N 2 1 365.478 0.313 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000284326508 213112503 /nfs/dbraw/zinc/11/25/03/213112503.db2.gz QBJDMQBGTNZAGK-GASCZTMLSA-N 2 1 365.478 0.313 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000284014116 213054983 /nfs/dbraw/zinc/05/49/83/213054983.db2.gz IKRGRVCIDUUIPC-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000283965911 213044057 /nfs/dbraw/zinc/04/40/57/213044057.db2.gz IEQGDPKQESRUOD-OAHLLOKOSA-N 2 1 370.519 0.552 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000283965911 213044065 /nfs/dbraw/zinc/04/40/65/213044065.db2.gz IEQGDPKQESRUOD-OAHLLOKOSA-N 2 1 370.519 0.552 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283910819 213034033 /nfs/dbraw/zinc/03/40/33/213034033.db2.gz HYJNLHPAPZEGHI-QGZVFWFLSA-N 2 1 364.490 0.490 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000283895990 213029622 /nfs/dbraw/zinc/02/96/22/213029622.db2.gz CZWCVBYRUPCUMP-OAHLLOKOSA-N 2 1 350.463 0.943 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000283842158 213017220 /nfs/dbraw/zinc/01/72/20/213017220.db2.gz BFNCXQMSEAPQGX-UHFFFAOYSA-N 2 1 350.438 0.584 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000366729574 216023392 /nfs/dbraw/zinc/02/33/92/216023392.db2.gz WVHUKPJMGDQKAC-QYZOEREBSA-N 2 1 359.470 0.819 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000366729574 216023396 /nfs/dbraw/zinc/02/33/96/216023396.db2.gz WVHUKPJMGDQKAC-QYZOEREBSA-N 2 1 359.470 0.819 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000413126236 237280315 /nfs/dbraw/zinc/28/03/15/237280315.db2.gz SITRILUEPTUHJD-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000413126236 237280321 /nfs/dbraw/zinc/28/03/21/237280321.db2.gz SITRILUEPTUHJD-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)ccc2oc1=O ZINC000367051884 216068272 /nfs/dbraw/zinc/06/82/72/216068272.db2.gz FPBWGCNFEZANKO-MRXNPFEDSA-N 2 1 373.457 0.485 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230911 216094927 /nfs/dbraw/zinc/09/49/27/216094927.db2.gz LFEPFYDXPKGENH-WFASDCNBSA-N 2 1 365.396 0.966 20 0 FCADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)CC2)c1 ZINC000367987935 216189831 /nfs/dbraw/zinc/18/98/31/216189831.db2.gz IBWYBGUXJFRIGG-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000368198137 216215562 /nfs/dbraw/zinc/21/55/62/216215562.db2.gz KQQXJMDKTWUAGP-IXDOHACOSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCN(C)CC1 ZINC000246535154 209390304 /nfs/dbraw/zinc/39/03/04/209390304.db2.gz AMLCNHZNBVJYNY-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)CN1CC[NH+](C)CC1 ZINC000246535154 209390309 /nfs/dbraw/zinc/39/03/09/209390309.db2.gz AMLCNHZNBVJYNY-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)CN1CC[NH+](C)CC1 ZINC000246535154 209390312 /nfs/dbraw/zinc/39/03/12/209390312.db2.gz AMLCNHZNBVJYNY-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cncc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000246407083 209387907 /nfs/dbraw/zinc/38/79/07/209387907.db2.gz PWNNJJBSSXZDGQ-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000237457239 209352836 /nfs/dbraw/zinc/35/28/36/209352836.db2.gz BAZUUWGBODHEIJ-ZBFHGGJFSA-N 2 1 355.504 0.775 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000195155125 209333818 /nfs/dbraw/zinc/33/38/18/209333818.db2.gz JWMZRYAEVVXNJF-QGZVFWFLSA-N 2 1 374.485 0.963 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)CC1 ZINC000191489236 209285608 /nfs/dbraw/zinc/28/56/08/209285608.db2.gz YRCLPLZRHGCJSV-SFHVURJKSA-N 2 1 366.550 0.973 20 0 FCADMP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369377845 216390899 /nfs/dbraw/zinc/39/08/99/216390899.db2.gz CPSVUEWSFQLHQM-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369377845 216390902 /nfs/dbraw/zinc/39/09/02/216390902.db2.gz CPSVUEWSFQLHQM-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000369389144 216394556 /nfs/dbraw/zinc/39/45/56/216394556.db2.gz LVQKOALEOXLXMB-FGTMMUONSA-N 2 1 352.523 0.723 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000369389144 216394559 /nfs/dbraw/zinc/39/45/59/216394559.db2.gz LVQKOALEOXLXMB-FGTMMUONSA-N 2 1 352.523 0.723 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401137 216396786 /nfs/dbraw/zinc/39/67/86/216396786.db2.gz KQDKZSLROAWSLZ-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189303800 209249169 /nfs/dbraw/zinc/24/91/69/209249169.db2.gz MQOYCELAUWBYJC-NLWGTHIKSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189303800 209249172 /nfs/dbraw/zinc/24/91/72/209249172.db2.gz MQOYCELAUWBYJC-NLWGTHIKSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188292101 209227639 /nfs/dbraw/zinc/22/76/39/209227639.db2.gz JVWUWSDJDOVTHS-FOIQADDNSA-N 2 1 374.485 0.932 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000415152087 245352982 /nfs/dbraw/zinc/35/29/82/245352982.db2.gz BGDHUMIAKNFLNV-ZIAGYGMSSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000415152087 245352985 /nfs/dbraw/zinc/35/29/85/245352985.db2.gz BGDHUMIAKNFLNV-ZIAGYGMSSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000415354847 245394953 /nfs/dbraw/zinc/39/49/53/245394953.db2.gz OAEPYAMVQOGLEF-LZWOXQAQSA-N 2 1 360.458 0.794 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000415354847 245394955 /nfs/dbraw/zinc/39/49/55/245394955.db2.gz OAEPYAMVQOGLEF-LZWOXQAQSA-N 2 1 360.458 0.794 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145987 217101750 /nfs/dbraw/zinc/10/17/50/217101750.db2.gz DKOXRYCMKCVJQU-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145987 217101753 /nfs/dbraw/zinc/10/17/53/217101753.db2.gz DKOXRYCMKCVJQU-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1(C)C ZINC000374145987 217101755 /nfs/dbraw/zinc/10/17/55/217101755.db2.gz DKOXRYCMKCVJQU-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP O[C@@H](COCc1cccs1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375000392 217202304 /nfs/dbraw/zinc/20/23/04/217202304.db2.gz WIRNBTYQXZAJIQ-MRXNPFEDSA-N 2 1 370.515 0.785 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000183088028 209140047 /nfs/dbraw/zinc/14/00/47/209140047.db2.gz BLJBTMDFMAQAFD-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)CN1CC[NH+](C)CC1 ZINC000183088028 209140049 /nfs/dbraw/zinc/14/00/49/209140049.db2.gz BLJBTMDFMAQAFD-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)CN1CC[NH+](C)CC1 ZINC000183088028 209140052 /nfs/dbraw/zinc/14/00/52/209140052.db2.gz BLJBTMDFMAQAFD-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP CN(C(=O)NCCN1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375382332 217257912 /nfs/dbraw/zinc/25/79/12/217257912.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)NCCN1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375382332 217257914 /nfs/dbraw/zinc/25/79/14/217257914.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 3 1 353.511 0.129 20 0 FCADMP CCN1C(=O)[C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCN2C1=O ZINC000375596060 217288730 /nfs/dbraw/zinc/28/87/30/217288730.db2.gz HCJPPTPOZYKIRI-INIZCTEOSA-N 2 1 351.495 0.371 20 0 FCADMP C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C[NH2+]1 ZINC000417363654 245686697 /nfs/dbraw/zinc/68/66/97/245686697.db2.gz GIRLMUTVEBCSSN-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H]([NH3+])C3CC3)c2)C1 ZINC000417543294 245706693 /nfs/dbraw/zinc/70/66/93/245706693.db2.gz FTENGLVHIQRRDD-ROUUACIJSA-N 2 1 373.501 0.920 20 0 FCADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177267 217365863 /nfs/dbraw/zinc/36/58/63/217365863.db2.gz GNKNZTXLXIXPEG-INIZCTEOSA-N 2 1 356.492 0.708 20 0 FCADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177267 217365864 /nfs/dbraw/zinc/36/58/64/217365864.db2.gz GNKNZTXLXIXPEG-INIZCTEOSA-N 2 1 356.492 0.708 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CCCn1ccnc1 ZINC000181082141 209107528 /nfs/dbraw/zinc/10/75/28/209107528.db2.gz ZURWGMGHSQJBMU-UHFFFAOYSA-N 2 1 365.459 0.800 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CCCn1ccnc1 ZINC000181082141 209107531 /nfs/dbraw/zinc/10/75/31/209107531.db2.gz ZURWGMGHSQJBMU-UHFFFAOYSA-N 2 1 365.459 0.800 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419129918 246004272 /nfs/dbraw/zinc/00/42/72/246004272.db2.gz DSBRYXXMJBMNAK-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419151138 246018946 /nfs/dbraw/zinc/01/89/46/246018946.db2.gz NDHGZJIOIHGATA-XJKSGUPXSA-N 2 1 364.515 0.930 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419154328 246020498 /nfs/dbraw/zinc/02/04/98/246020498.db2.gz RHCHIAATADTGKF-KGLIPLIRSA-N 2 1 352.504 0.787 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)[nH+]1 ZINC000419132369 246007990 /nfs/dbraw/zinc/00/79/90/246007990.db2.gz HNOJUYPTBIWHHT-MRXNPFEDSA-N 2 1 361.490 0.965 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419135397 246009398 /nfs/dbraw/zinc/00/93/98/246009398.db2.gz MMRNKOPKPFOQLB-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)[nH+]1 ZINC000419136130 246010482 /nfs/dbraw/zinc/01/04/82/246010482.db2.gz ONWWYXHZZCXOIH-GOEBONIOSA-N 2 1 373.501 0.918 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000419139437 246011116 /nfs/dbraw/zinc/01/11/16/246011116.db2.gz URSQFAPZGARTDY-ROUUACIJSA-N 2 1 374.485 0.343 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419137122 246011970 /nfs/dbraw/zinc/01/19/70/246011970.db2.gz QDQWGUQXZNPVIQ-SQNIBIBYSA-N 2 1 356.470 0.588 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)[nH+]1 ZINC000419137576 246012085 /nfs/dbraw/zinc/01/20/85/246012085.db2.gz QYRZKGFFYWORQR-ZBFHGGJFSA-N 2 1 359.474 0.719 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419146833 246015893 /nfs/dbraw/zinc/01/58/93/246015893.db2.gz IQWJVHYNMRMQSS-KBPBESRZSA-N 2 1 350.488 0.554 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419145812 246016127 /nfs/dbraw/zinc/01/61/27/246016127.db2.gz AOZKAXRBCQUBRM-OTWHNJEPSA-N 2 1 370.497 0.488 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168999 246030565 /nfs/dbraw/zinc/03/05/65/246030565.db2.gz TXYUXXUKYUBUKA-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171376 246032607 /nfs/dbraw/zinc/03/26/07/246032607.db2.gz XNYPSIVZNBFEDF-ZWKOTPCHSA-N 2 1 374.485 0.247 20 0 FCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419174862 246034915 /nfs/dbraw/zinc/03/49/15/246034915.db2.gz WVRBBEOVVUACLV-CEXWTWQISA-N 2 1 372.513 0.937 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000419180288 246039056 /nfs/dbraw/zinc/03/90/56/246039056.db2.gz ANTKPWVFUFTLRL-UHFFFAOYSA-N 2 1 368.428 0.786 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419215759 246058701 /nfs/dbraw/zinc/05/87/01/246058701.db2.gz ZEJAPBGFNRKBAH-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213906 246058860 /nfs/dbraw/zinc/05/88/60/246058860.db2.gz WZUVIMFWTYJVCC-ZWKOTPCHSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419213890 246060507 /nfs/dbraw/zinc/06/05/07/246060507.db2.gz WYNFTPISSCGDJT-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221871 246062013 /nfs/dbraw/zinc/06/20/13/246062013.db2.gz AWMUEZXXZWEKRR-GDAAHCPNSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419223443 246062858 /nfs/dbraw/zinc/06/28/58/246062858.db2.gz CYOBNQLIYGSBQM-BPQIPLTHSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419226721 246065569 /nfs/dbraw/zinc/06/55/69/246065569.db2.gz DQRAQCTUZXNTJF-ACJLOTCBSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419226721 246065573 /nfs/dbraw/zinc/06/55/73/246065573.db2.gz DQRAQCTUZXNTJF-ACJLOTCBSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC3C[NH2+]C3)cc2)C1 ZINC000419204832 246052467 /nfs/dbraw/zinc/05/24/67/246052467.db2.gz JHSAGODMEKWWMV-HNNXBMFYSA-N 2 1 358.486 0.870 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])CCC(F)(F)F ZINC000419207467 246054046 /nfs/dbraw/zinc/05/40/46/246054046.db2.gz MQGKAVLYOAJYEX-LBPRGKRZSA-N 2 1 352.401 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])CCC(F)(F)F ZINC000419207467 246054050 /nfs/dbraw/zinc/05/40/50/246054050.db2.gz MQGKAVLYOAJYEX-LBPRGKRZSA-N 2 1 352.401 0.717 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CCC(F)(F)F ZINC000419207252 246054554 /nfs/dbraw/zinc/05/45/54/246054554.db2.gz MEBDSMSVIYZOGX-VXGBXAGGSA-N 2 1 352.401 0.763 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CCC(F)(F)F ZINC000419207252 246054558 /nfs/dbraw/zinc/05/45/58/246054558.db2.gz MEBDSMSVIYZOGX-VXGBXAGGSA-N 2 1 352.401 0.763 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419230516 246068835 /nfs/dbraw/zinc/06/88/35/246068835.db2.gz IWBWANCHNZPECZ-ZDUSSCGKSA-N 2 1 352.504 0.679 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419230516 246068840 /nfs/dbraw/zinc/06/88/40/246068840.db2.gz IWBWANCHNZPECZ-ZDUSSCGKSA-N 2 1 352.504 0.679 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419236787 246073977 /nfs/dbraw/zinc/07/39/77/246073977.db2.gz OCWWWGSZORGHQX-JTDSTZFVSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419236787 246073983 /nfs/dbraw/zinc/07/39/83/246073983.db2.gz OCWWWGSZORGHQX-JTDSTZFVSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419241619 246074201 /nfs/dbraw/zinc/07/42/01/246074201.db2.gz RXWZPKPPUAWCHR-RISCZKNCSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419241619 246074206 /nfs/dbraw/zinc/07/42/06/246074206.db2.gz RXWZPKPPUAWCHR-RISCZKNCSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419251168 246076504 /nfs/dbraw/zinc/07/65/04/246076504.db2.gz ZVEVWTDSLFKHAR-TZMCWYRMSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419251168 246076510 /nfs/dbraw/zinc/07/65/10/246076510.db2.gz ZVEVWTDSLFKHAR-TZMCWYRMSA-N 2 1 350.488 0.479 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419264165 246079544 /nfs/dbraw/zinc/07/95/44/246079544.db2.gz AQPZHVZEVJPJSW-KRWDZBQOSA-N 2 1 360.458 0.085 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419267241 246081278 /nfs/dbraw/zinc/08/12/78/246081278.db2.gz IQPYDSWDPPRDOJ-QZTJIDSGSA-N 2 1 374.485 0.521 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C[NH+]1CCOCC1 ZINC000419305073 246093658 /nfs/dbraw/zinc/09/36/58/246093658.db2.gz WBADNNHDHAQZBF-INIZCTEOSA-N 2 1 366.506 0.063 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317841 246097765 /nfs/dbraw/zinc/09/77/65/246097765.db2.gz NESUVVKSLSBHEQ-ZYRRHWMLSA-N 2 1 374.460 0.820 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419324837 246099482 /nfs/dbraw/zinc/09/94/82/246099482.db2.gz WDHUFCYGLPPZGJ-RASHJEQFSA-N 2 1 374.460 0.820 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329487 246100868 /nfs/dbraw/zinc/10/08/68/246100868.db2.gz GJYVIBDYPFAKLL-VIBAHUMZSA-N 2 1 356.470 0.539 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCOCC1 ZINC000419303484 246091597 /nfs/dbraw/zinc/09/15/97/246091597.db2.gz SAFYALDCGWOPAK-INIZCTEOSA-N 2 1 368.522 0.500 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419366016 246120039 /nfs/dbraw/zinc/12/00/39/246120039.db2.gz YFMQCNBBLUBNOL-GOSISDBHSA-N 2 1 372.469 0.650 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419387511 246126900 /nfs/dbraw/zinc/12/69/00/246126900.db2.gz FRJJMIFXPWSLIN-UHFFFAOYSA-N 2 1 356.470 0.587 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419387511 246126903 /nfs/dbraw/zinc/12/69/03/246126903.db2.gz FRJJMIFXPWSLIN-UHFFFAOYSA-N 2 1 356.470 0.587 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419360266 246115953 /nfs/dbraw/zinc/11/59/53/246115953.db2.gz SCNLAMFSIVWXGH-NVXWUHKLSA-N 2 1 374.485 0.817 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000419395337 246131796 /nfs/dbraw/zinc/13/17/96/246131796.db2.gz QIBPHRTYWSRUQP-GOSISDBHSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000419395337 246131800 /nfs/dbraw/zinc/13/18/00/246131800.db2.gz QIBPHRTYWSRUQP-GOSISDBHSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000419395765 246132894 /nfs/dbraw/zinc/13/28/94/246132894.db2.gz RFAJJEHPMNVBHK-GUDVDZBRSA-N 2 1 370.497 0.747 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000419395765 246132900 /nfs/dbraw/zinc/13/29/00/246132900.db2.gz RFAJJEHPMNVBHK-GUDVDZBRSA-N 2 1 370.497 0.747 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419398456 246133818 /nfs/dbraw/zinc/13/38/18/246133818.db2.gz XCGYPWOZNDLWKD-UHFFFAOYSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398636 246135442 /nfs/dbraw/zinc/13/54/42/246135442.db2.gz IEZDSKAIQFMHSW-ZBFHGGJFSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398636 246135447 /nfs/dbraw/zinc/13/54/47/246135447.db2.gz IEZDSKAIQFMHSW-ZBFHGGJFSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401997 246136152 /nfs/dbraw/zinc/13/61/52/246136152.db2.gz PRBCWOYFWMIEMG-NQYYFHDYSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419408508 246142012 /nfs/dbraw/zinc/14/20/12/246142012.db2.gz LXWLXZDAFYEEPC-YYIAUSFCSA-N 2 1 350.507 0.539 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409186 246143131 /nfs/dbraw/zinc/14/31/31/246143131.db2.gz DTRLBMYAWNUULY-DJIMGWMZSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409186 246143136 /nfs/dbraw/zinc/14/31/36/246143136.db2.gz DTRLBMYAWNUULY-DJIMGWMZSA-N 2 1 362.474 0.246 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419420695 246153849 /nfs/dbraw/zinc/15/38/49/246153849.db2.gz KFUOQYQVRUDNFK-QAPCUYQASA-N 2 1 358.486 0.795 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419418941 246151366 /nfs/dbraw/zinc/15/13/66/246151366.db2.gz YUQRPVLIPHVPPM-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000419510054 246184953 /nfs/dbraw/zinc/18/49/53/246184953.db2.gz GMQCJQSDBZUCIZ-HUUCEWRRSA-N 2 1 350.463 0.941 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419510893 246185358 /nfs/dbraw/zinc/18/53/58/246185358.db2.gz WSFJVXWNTYLZNI-JFIYKMOQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419506475 246185542 /nfs/dbraw/zinc/18/55/42/246185542.db2.gz MJQDFRQAXRMYRE-JFIYKMOQSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000419508979 246186736 /nfs/dbraw/zinc/18/67/36/246186736.db2.gz DQECVNZVYSEPFI-INIZCTEOSA-N 2 1 360.458 0.877 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525041 246193417 /nfs/dbraw/zinc/19/34/17/246193417.db2.gz CTIZNKPLPLGBDN-TZMCWYRMSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525041 246193426 /nfs/dbraw/zinc/19/34/26/246193426.db2.gz CTIZNKPLPLGBDN-TZMCWYRMSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419485741 246177611 /nfs/dbraw/zinc/17/76/11/246177611.db2.gz WGDURLVXGVAVNW-XHSDSOJGSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419481873 246178383 /nfs/dbraw/zinc/17/83/83/246178383.db2.gz PVLJIEBFGXJGKN-XWTMOSNGSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419587086 246211347 /nfs/dbraw/zinc/21/13/47/246211347.db2.gz NFGBTWIKXKAEIS-OAUYIBNBSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419536580 246194100 /nfs/dbraw/zinc/19/41/00/246194100.db2.gz USSMLGMSAMIVQZ-SPUZQDLCSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419532199 246195681 /nfs/dbraw/zinc/19/56/81/246195681.db2.gz MSYPUBSFHMDDGV-NJAFHUGGSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000419654519 246231064 /nfs/dbraw/zinc/23/10/64/246231064.db2.gz GRAIMEJUHMLXJK-UKRRQHHQSA-N 2 1 368.428 0.866 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000419654519 246231069 /nfs/dbraw/zinc/23/10/69/246231069.db2.gz GRAIMEJUHMLXJK-UKRRQHHQSA-N 2 1 368.428 0.866 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650621 246231806 /nfs/dbraw/zinc/23/18/06/246231806.db2.gz OGHIYXJULDLNER-FHLIZLRMSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419717880 246268237 /nfs/dbraw/zinc/26/82/37/246268237.db2.gz CHWZPPSXOKCBLQ-UHFFFAOYSA-N 2 1 368.428 0.771 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000419695820 246255547 /nfs/dbraw/zinc/25/55/47/246255547.db2.gz NFDUFDQXZDCREU-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419703491 246260007 /nfs/dbraw/zinc/26/00/07/246260007.db2.gz DILMIXAIWMEDDX-JFIYKMOQSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419704069 246260026 /nfs/dbraw/zinc/26/00/26/246260026.db2.gz FTTUYOJKVUHAKO-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419707246 246262357 /nfs/dbraw/zinc/26/23/57/246262357.db2.gz LVNOYDYLMDZUPS-ATLSCFEFSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000419709265 246263129 /nfs/dbraw/zinc/26/31/29/246263129.db2.gz OPVJFHFAAKYGGK-JSGCOSHPSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000419709265 246263132 /nfs/dbraw/zinc/26/31/32/246263132.db2.gz OPVJFHFAAKYGGK-JSGCOSHPSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000419709934 246263225 /nfs/dbraw/zinc/26/32/25/246263225.db2.gz PMMRHOQEJBCWSF-NJAFHUGGSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757887 246285994 /nfs/dbraw/zinc/28/59/94/246285994.db2.gz JFVMFMGIAQMSJU-ZFWWWQNUSA-N 2 1 350.438 0.569 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755722 246286086 /nfs/dbraw/zinc/28/60/86/246286086.db2.gz DVJOEAPUWXSLJP-HOCLYGCPSA-N 2 1 350.438 0.617 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419756542 246286967 /nfs/dbraw/zinc/28/69/67/246286967.db2.gz GNVYMVXRKWIOCU-UHFFFAOYSA-N 2 1 364.465 0.880 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000419766917 246290824 /nfs/dbraw/zinc/29/08/24/246290824.db2.gz ZMNFMYZJVPELDO-WMLDXEAASA-N 2 1 364.465 0.960 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000419769885 246291236 /nfs/dbraw/zinc/29/12/36/246291236.db2.gz WJMAAKHOKBUDTN-ZWKOTPCHSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419725254 246272925 /nfs/dbraw/zinc/27/29/25/246272925.db2.gz RLSXNERHPLJPGN-LLVKDONJSA-N 2 1 354.401 0.509 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000419822260 246306124 /nfs/dbraw/zinc/30/61/24/246306124.db2.gz VZVCPVQWMHUXCE-UHFFFAOYSA-N 2 1 372.391 0.815 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000419822260 246306127 /nfs/dbraw/zinc/30/61/27/246306127.db2.gz VZVCPVQWMHUXCE-UHFFFAOYSA-N 2 1 372.391 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419832236 246309320 /nfs/dbraw/zinc/30/93/20/246309320.db2.gz VOQBURQKQAKFGC-DAYGRLMNSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419832236 246309324 /nfs/dbraw/zinc/30/93/24/246309324.db2.gz VOQBURQKQAKFGC-DAYGRLMNSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862632 246332438 /nfs/dbraw/zinc/33/24/38/246332438.db2.gz MYQSQFNRTPQFBB-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419907961 246364503 /nfs/dbraw/zinc/36/45/03/246364503.db2.gz DEKFQYYKZGKULV-OAHLLOKOSA-N 2 1 364.515 0.551 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419920068 246367801 /nfs/dbraw/zinc/36/78/01/246367801.db2.gz FWGTYKXIYAXNNZ-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419920068 246367805 /nfs/dbraw/zinc/36/78/05/246367805.db2.gz FWGTYKXIYAXNNZ-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419876874 246343713 /nfs/dbraw/zinc/34/37/13/246343713.db2.gz FKUQLTBXZVWVNM-HKUYNNGSSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419876412 246344202 /nfs/dbraw/zinc/34/42/02/246344202.db2.gz PPSDZGFLDNSAKN-SJORKVTESA-N 2 1 367.538 0.118 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419889146 246352833 /nfs/dbraw/zinc/35/28/33/246352833.db2.gz GOLLUBIVSMBLQJ-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000419891081 246354321 /nfs/dbraw/zinc/35/43/21/246354321.db2.gz TXMOCWLVVLYRIS-SFHVURJKSA-N 2 1 366.465 0.962 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419900853 246360745 /nfs/dbraw/zinc/36/07/45/246360745.db2.gz RVCOJEKSZIJZRB-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP CN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419943795 246381709 /nfs/dbraw/zinc/38/17/09/246381709.db2.gz HUDLVBIHRVODDL-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419960553 246388524 /nfs/dbraw/zinc/38/85/24/246388524.db2.gz FHJDQVSPJULNDI-KRWDZBQOSA-N 2 1 368.522 0.315 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419960698 246388838 /nfs/dbraw/zinc/38/88/38/246388838.db2.gz WQTHEHQIKPPRTL-WMZOPIPTSA-N 2 1 360.502 0.939 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419962953 246389722 /nfs/dbraw/zinc/38/97/22/246389722.db2.gz VOXFMNCCTJNDFU-KRWDZBQOSA-N 2 1 360.502 0.865 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419963488 246390578 /nfs/dbraw/zinc/39/05/78/246390578.db2.gz ZBZJGEDYGNQUNG-JONQDZQNSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419963488 246390588 /nfs/dbraw/zinc/39/05/88/246390588.db2.gz ZBZJGEDYGNQUNG-JONQDZQNSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000423392365 247018267 /nfs/dbraw/zinc/01/82/67/247018267.db2.gz QGIUFXSWQIFFHQ-OWCLPIDISA-N 2 1 366.506 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532139 247044122 /nfs/dbraw/zinc/04/41/22/247044122.db2.gz UTTUYVYCUMRXTC-YESZJQIVSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423532139 247044128 /nfs/dbraw/zinc/04/41/28/247044128.db2.gz UTTUYVYCUMRXTC-YESZJQIVSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@H](C)[NH2+]1 ZINC000423567460 247054727 /nfs/dbraw/zinc/05/47/27/247054727.db2.gz CXSCYGICTNWXAX-MVJTYMMSSA-N 2 1 373.501 0.742 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423569675 247057090 /nfs/dbraw/zinc/05/70/90/247057090.db2.gz SGYPVDJIRDFICM-GDBMZVCRSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423588669 247064635 /nfs/dbraw/zinc/06/46/35/247064635.db2.gz BBMJRKSBBVNGEV-AEFFLSMTSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@@H]1C[NH3+] ZINC000423437646 247027378 /nfs/dbraw/zinc/02/73/78/247027378.db2.gz GJVOKERQBBYOAJ-PVAVHDDUSA-N 2 1 350.507 0.620 20 0 FCADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423440949 247027667 /nfs/dbraw/zinc/02/76/67/247027667.db2.gz IUUWMZOLUPGYRJ-KRWDZBQOSA-N 2 1 373.501 0.572 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423518425 247040190 /nfs/dbraw/zinc/04/01/90/247040190.db2.gz OQWLEFKQPBVTOD-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423518425 247040193 /nfs/dbraw/zinc/04/01/93/247040193.db2.gz OQWLEFKQPBVTOD-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423529609 247043806 /nfs/dbraw/zinc/04/38/06/247043806.db2.gz QAMQUVOSHOUPSH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC[N@H+]1CCOC ZINC000423529609 247043811 /nfs/dbraw/zinc/04/38/11/247043811.db2.gz QAMQUVOSHOUPSH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000423680033 247107046 /nfs/dbraw/zinc/10/70/46/247107046.db2.gz MRRXAIVGGTUMGB-UHFFFAOYSA-N 2 1 364.515 0.645 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423619709 247079342 /nfs/dbraw/zinc/07/93/42/247079342.db2.gz IQMWLBFTJLJVCT-HNNXBMFYSA-N 2 1 350.463 0.900 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000423649870 247092075 /nfs/dbraw/zinc/09/20/75/247092075.db2.gz TUMGMCMAUDWNOB-MSOLQXFVSA-N 2 1 370.497 0.917 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000423666964 247103758 /nfs/dbraw/zinc/10/37/58/247103758.db2.gz AFEZYPLXHQIKHT-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000423666964 247103761 /nfs/dbraw/zinc/10/37/61/247103761.db2.gz AFEZYPLXHQIKHT-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423785843 247141985 /nfs/dbraw/zinc/14/19/85/247141985.db2.gz AHRFYNZSCYPLFX-UHFFFAOYSA-N 2 1 363.506 0.779 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423810731 247143573 /nfs/dbraw/zinc/14/35/73/247143573.db2.gz BEMBSDMUNLLXAQ-PBHICJAKSA-N 2 1 354.401 0.680 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423810731 247143575 /nfs/dbraw/zinc/14/35/75/247143575.db2.gz BEMBSDMUNLLXAQ-PBHICJAKSA-N 2 1 354.401 0.680 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423730638 247130188 /nfs/dbraw/zinc/13/01/88/247130188.db2.gz NKEZYHOMOBDMRN-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000423743363 247134222 /nfs/dbraw/zinc/13/42/22/247134222.db2.gz LRBKBUWZPKKDTQ-LULLPPNCSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000424007321 247161229 /nfs/dbraw/zinc/16/12/29/247161229.db2.gz VFNLWMGITVLANR-ZACQAIPSSA-N 2 1 366.506 0.143 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492659 247237387 /nfs/dbraw/zinc/23/73/87/247237387.db2.gz IREKGXKHAIUGBU-FGTMMUONSA-N 2 1 356.470 0.527 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493097 247237476 /nfs/dbraw/zinc/23/74/76/247237476.db2.gz JMOKUXPYQHWFAS-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP Cc1csc2nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000436068071 248030695 /nfs/dbraw/zinc/03/06/95/248030695.db2.gz VKMWJBKYGKPSJP-AWEZNQCLSA-N 2 1 363.487 0.884 20 0 FCADMP Cc1csc2nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000436068071 248030699 /nfs/dbraw/zinc/03/06/99/248030699.db2.gz VKMWJBKYGKPSJP-AWEZNQCLSA-N 2 1 363.487 0.884 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000436062489 248031009 /nfs/dbraw/zinc/03/10/09/248031009.db2.gz RJGDEWVNNWZBAB-HNNXBMFYSA-N 2 1 372.469 0.992 20 0 FCADMP CC1=CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC=C(C)C3)CC2)C1 ZINC000436268846 248037058 /nfs/dbraw/zinc/03/70/58/248037058.db2.gz IAIAPTGPBFYVFF-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000438522907 248088316 /nfs/dbraw/zinc/08/83/16/248088316.db2.gz IPAMOODTRRPKLW-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000440972903 248227337 /nfs/dbraw/zinc/22/73/37/248227337.db2.gz NUHJHEBRGOCQBU-INMHGKMJSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000440972903 248227342 /nfs/dbraw/zinc/22/73/42/248227342.db2.gz NUHJHEBRGOCQBU-INMHGKMJSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[NH+]1C1CC1 ZINC000440972903 248227344 /nfs/dbraw/zinc/22/73/44/248227344.db2.gz NUHJHEBRGOCQBU-INMHGKMJSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440982067 248229585 /nfs/dbraw/zinc/22/95/85/248229585.db2.gz PNBKXYLSYRKRJM-QGZVFWFLSA-N 2 1 368.570 0.338 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440982067 248229590 /nfs/dbraw/zinc/22/95/90/248229590.db2.gz PNBKXYLSYRKRJM-QGZVFWFLSA-N 2 1 368.570 0.338 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440982067 248229594 /nfs/dbraw/zinc/22/95/94/248229594.db2.gz PNBKXYLSYRKRJM-QGZVFWFLSA-N 2 1 368.570 0.338 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1(C)C ZINC000442878698 248299277 /nfs/dbraw/zinc/29/92/77/248299277.db2.gz ZQKQRZIZAQFUAS-UHFFFAOYSA-N 3 1 367.582 0.399 20 0 FCADMP C[C@H](CO)N(CC(=O)N1CCN(Cc2ccsc2)CC1)C[C@H](C)O ZINC000443324707 248320730 /nfs/dbraw/zinc/32/07/30/248320730.db2.gz YNVDQCCHLBPYJZ-CABCVRRESA-N 2 1 355.504 0.456 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)C1 ZINC000444261556 248353591 /nfs/dbraw/zinc/35/35/91/248353591.db2.gz FYCQJKQFPTXAJJ-ZHALLVOQSA-N 2 1 350.507 0.239 20 0 FCADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000444353836 248355963 /nfs/dbraw/zinc/35/59/63/248355963.db2.gz RXYNTKJNVTXUPE-CRAIPNDOSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)CN1CC[NH+](C)CC1 ZINC000446376749 248388395 /nfs/dbraw/zinc/38/83/95/248388395.db2.gz LPQFTAKOLZLPOR-YYAJDYIMSA-N 2 1 352.523 0.519 20 0 FCADMP C[C@@H](CO)[N@@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000469840885 250008528 /nfs/dbraw/zinc/00/85/28/250008528.db2.gz HFMFLVZJYNBZQT-IBGZPJMESA-N 2 1 374.529 0.719 20 0 FCADMP C[C@@H](CO)[N@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000469840885 250008531 /nfs/dbraw/zinc/00/85/31/250008531.db2.gz HFMFLVZJYNBZQT-IBGZPJMESA-N 2 1 374.529 0.719 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1)N1CC[NH2+]CC1 ZINC000470009671 250021500 /nfs/dbraw/zinc/02/15/00/250021500.db2.gz SXKVYIATLINFGX-QGZVFWFLSA-N 2 1 354.458 0.911 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000470843403 250067824 /nfs/dbraw/zinc/06/78/24/250067824.db2.gz DOTYGVWUHHDDIN-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)N1CC[NH+](C2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471662131 250114607 /nfs/dbraw/zinc/11/46/07/250114607.db2.gz JPCPRZJJPFKKDI-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000472982261 250191053 /nfs/dbraw/zinc/19/10/53/250191053.db2.gz BTRSTWZFEHNBDP-IRXDYDNUSA-N 2 1 355.527 0.375 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000472982262 250191374 /nfs/dbraw/zinc/19/13/74/250191374.db2.gz BTRSTWZFEHNBDP-SJORKVTESA-N 2 1 355.527 0.375 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000480919207 250296155 /nfs/dbraw/zinc/29/61/55/250296155.db2.gz XBHIZJOZCWLTQF-OAGGEKHMSA-N 2 1 370.563 0.634 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000480979133 250305304 /nfs/dbraw/zinc/30/53/04/250305304.db2.gz LGLZCVBBUOCJFE-VQHPVUNQSA-N 2 1 368.522 0.306 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481067191 250310506 /nfs/dbraw/zinc/31/05/06/250310506.db2.gz BJEFDCKVBLSYKA-KRWDZBQOSA-N 2 1 357.568 0.749 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000481203661 250321502 /nfs/dbraw/zinc/32/15/02/250321502.db2.gz SSRQRFYWCCPTRX-PMPSAXMXSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000481203661 250321508 /nfs/dbraw/zinc/32/15/08/250321508.db2.gz SSRQRFYWCCPTRX-PMPSAXMXSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000481203661 250321513 /nfs/dbraw/zinc/32/15/13/250321513.db2.gz SSRQRFYWCCPTRX-PMPSAXMXSA-N 2 1 350.507 0.990 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+](C)C1 ZINC000413111986 532992634 /nfs/dbraw/zinc/99/26/34/532992634.db2.gz UXKHBBDJUMATRA-GOSISDBHSA-N 2 1 374.485 0.791 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413111986 532992636 /nfs/dbraw/zinc/99/26/36/532992636.db2.gz UXKHBBDJUMATRA-GOSISDBHSA-N 2 1 374.485 0.791 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413111986 532992641 /nfs/dbraw/zinc/99/26/41/532992641.db2.gz UXKHBBDJUMATRA-GOSISDBHSA-N 2 1 374.485 0.791 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413160524 532998063 /nfs/dbraw/zinc/99/80/63/532998063.db2.gz CYFLJEXNUVSKJB-OWCLPIDISA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413160524 532998067 /nfs/dbraw/zinc/99/80/67/532998067.db2.gz CYFLJEXNUVSKJB-OWCLPIDISA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413160524 532998072 /nfs/dbraw/zinc/99/80/72/532998072.db2.gz CYFLJEXNUVSKJB-OWCLPIDISA-N 2 1 354.495 0.853 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000063723359 208010800 /nfs/dbraw/zinc/01/08/00/208010800.db2.gz GYWHVJBYTDGVKI-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@H+](CCN1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349834 208099021 /nfs/dbraw/zinc/09/90/21/208099021.db2.gz TUWKUOJRWIXMEN-IBGZPJMESA-N 2 1 360.502 0.593 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349834 208099027 /nfs/dbraw/zinc/09/90/27/208099027.db2.gz TUWKUOJRWIXMEN-IBGZPJMESA-N 2 1 360.502 0.593 20 0 FCADMP C[NH+](CCN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349834 208099030 /nfs/dbraw/zinc/09/90/30/208099030.db2.gz TUWKUOJRWIXMEN-IBGZPJMESA-N 2 1 360.502 0.593 20 0 FCADMP C[NH+](CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)Cc1ccccc1 ZINC000081349834 208099035 /nfs/dbraw/zinc/09/90/35/208099035.db2.gz TUWKUOJRWIXMEN-IBGZPJMESA-N 2 1 360.502 0.593 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000089896001 208125482 /nfs/dbraw/zinc/12/54/82/208125482.db2.gz RJPKYIJSOJVRDG-MSOLQXFVSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089896001 208125487 /nfs/dbraw/zinc/12/54/87/208125487.db2.gz RJPKYIJSOJVRDG-MSOLQXFVSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089896001 208125493 /nfs/dbraw/zinc/12/54/93/208125493.db2.gz RJPKYIJSOJVRDG-MSOLQXFVSA-N 2 1 364.490 0.499 20 0 FCADMP C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000101640048 208164580 /nfs/dbraw/zinc/16/45/80/208164580.db2.gz NRLVZKUJYFFCSV-LJQANCHMSA-N 2 1 373.545 0.951 20 0 FCADMP CCCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092734191 208148107 /nfs/dbraw/zinc/14/81/07/208148107.db2.gz JHLJCKVXJDYFGX-KRWDZBQOSA-N 2 1 360.506 0.967 20 0 FCADMP CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092734191 208148114 /nfs/dbraw/zinc/14/81/14/208148114.db2.gz JHLJCKVXJDYFGX-KRWDZBQOSA-N 2 1 360.506 0.967 20 0 FCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931873090 674149142 /nfs/dbraw/zinc/14/91/42/674149142.db2.gz UYPBRJSQFBVLJF-OAHLLOKOSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931873090 674149143 /nfs/dbraw/zinc/14/91/43/674149143.db2.gz UYPBRJSQFBVLJF-OAHLLOKOSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000116977938 208338350 /nfs/dbraw/zinc/33/83/50/208338350.db2.gz DHUOJFZYRLTNDJ-MOPGFXCFSA-N 2 1 361.486 0.973 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266712973 210386878 /nfs/dbraw/zinc/38/68/78/210386878.db2.gz IMDHZVVEHLLOEN-GOSISDBHSA-N 2 1 359.518 0.631 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000266753807 210395737 /nfs/dbraw/zinc/39/57/37/210395737.db2.gz NITDUXCKGRSRSH-HNNXBMFYSA-N 2 1 350.467 0.611 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000266753807 210395743 /nfs/dbraw/zinc/39/57/43/210395743.db2.gz NITDUXCKGRSRSH-HNNXBMFYSA-N 2 1 350.467 0.611 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NCC[NH+]1CCCCC1 ZINC000412315792 533071734 /nfs/dbraw/zinc/07/17/34/533071734.db2.gz CBOKXGMFSYCKDT-HUUCEWRRSA-N 2 1 356.536 0.531 20 0 FCADMP CC[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000134589975 208688101 /nfs/dbraw/zinc/68/81/01/208688101.db2.gz OGOYTACMMWQONQ-HXUWFJFHSA-N 2 1 358.486 0.979 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000177890898 209037241 /nfs/dbraw/zinc/03/72/41/209037241.db2.gz GYMLDKHJRBWLPV-KRWDZBQOSA-N 2 1 365.522 0.810 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413489058 533478392 /nfs/dbraw/zinc/47/83/92/533478392.db2.gz QXWBFZHCRNBGJW-HOTGVXAUSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+](C)C1 ZINC000413489058 533478398 /nfs/dbraw/zinc/47/83/98/533478398.db2.gz QXWBFZHCRNBGJW-HOTGVXAUSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+](C)C1 ZINC000413489058 533478403 /nfs/dbraw/zinc/47/84/03/533478403.db2.gz QXWBFZHCRNBGJW-HOTGVXAUSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413150820 533480601 /nfs/dbraw/zinc/48/06/01/533480601.db2.gz VWBOPAUUJSQZPG-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413322774 533481851 /nfs/dbraw/zinc/48/18/51/533481851.db2.gz IMFNGEQRZFAKBV-IRXDYDNUSA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322774 533481857 /nfs/dbraw/zinc/48/18/57/533481857.db2.gz IMFNGEQRZFAKBV-IRXDYDNUSA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322774 533481861 /nfs/dbraw/zinc/48/18/61/533481861.db2.gz IMFNGEQRZFAKBV-IRXDYDNUSA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412320028 533493732 /nfs/dbraw/zinc/49/37/32/533493732.db2.gz VEDMSMKRADMUDZ-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187334721 229239619 /nfs/dbraw/zinc/23/96/19/229239619.db2.gz OJXLWTJWWZDVCG-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000187334721 229239623 /nfs/dbraw/zinc/23/96/23/229239623.db2.gz OJXLWTJWWZDVCG-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000187334721 229239627 /nfs/dbraw/zinc/23/96/27/229239627.db2.gz OJXLWTJWWZDVCG-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000410079190 230058021 /nfs/dbraw/zinc/05/80/21/230058021.db2.gz DVKQANUYIGNMFP-MSOLQXFVSA-N 2 1 358.486 0.789 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000410079190 230058028 /nfs/dbraw/zinc/05/80/28/230058028.db2.gz DVKQANUYIGNMFP-MSOLQXFVSA-N 2 1 358.486 0.789 20 0 FCADMP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410454973 230086416 /nfs/dbraw/zinc/08/64/16/230086416.db2.gz YTVAZNZTWIJSST-SFHVURJKSA-N 2 1 360.502 0.936 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410479383 230097803 /nfs/dbraw/zinc/09/78/03/230097803.db2.gz UAAJZYIUMQQXEX-DOTOQJQBSA-N 2 1 350.507 0.729 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000410522329 230118612 /nfs/dbraw/zinc/11/86/12/230118612.db2.gz GJCIDAWAAIVMKT-MRXNPFEDSA-N 2 1 359.474 0.508 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000410522329 230118615 /nfs/dbraw/zinc/11/86/15/230118615.db2.gz GJCIDAWAAIVMKT-MRXNPFEDSA-N 2 1 359.474 0.508 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410729049 230218560 /nfs/dbraw/zinc/21/85/60/230218560.db2.gz GSUVXCHDZFWBOI-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410738486 230226556 /nfs/dbraw/zinc/22/65/56/230226556.db2.gz WNLDWDJDPXSXLU-BZUAXINKSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410738486 230226560 /nfs/dbraw/zinc/22/65/60/230226560.db2.gz WNLDWDJDPXSXLU-BZUAXINKSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410738486 230226566 /nfs/dbraw/zinc/22/65/66/230226566.db2.gz WNLDWDJDPXSXLU-BZUAXINKSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410738486 230226571 /nfs/dbraw/zinc/22/65/71/230226571.db2.gz WNLDWDJDPXSXLU-BZUAXINKSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410937991 230313031 /nfs/dbraw/zinc/31/30/31/230313031.db2.gz MMOXFVWGNNHALR-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000932946668 674230222 /nfs/dbraw/zinc/23/02/22/674230222.db2.gz ILNIFSQKCNOYIW-QGZVFWFLSA-N 2 1 353.488 0.629 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000932946668 674230223 /nfs/dbraw/zinc/23/02/23/674230223.db2.gz ILNIFSQKCNOYIW-QGZVFWFLSA-N 2 1 353.488 0.629 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950473 674230801 /nfs/dbraw/zinc/23/08/01/674230801.db2.gz AXBPSYXGVSPLDL-ZBFHGGJFSA-N 2 1 368.503 0.016 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950473 674230802 /nfs/dbraw/zinc/23/08/02/674230802.db2.gz AXBPSYXGVSPLDL-ZBFHGGJFSA-N 2 1 368.503 0.016 20 0 FCADMP CC[C@@H]1C(=O)NCCC[NH+]1CCOCC[N@H+]1CCCNC(=O)[C@H]1CC ZINC000933217614 674250890 /nfs/dbraw/zinc/25/08/90/674250890.db2.gz MLNQSRAKZFEFRI-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000287490993 488874205 /nfs/dbraw/zinc/87/42/05/488874205.db2.gz FZLKSTMPROTYAN-OAHLLOKOSA-N 2 1 352.454 0.966 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000287490993 488874208 /nfs/dbraw/zinc/87/42/08/488874208.db2.gz FZLKSTMPROTYAN-OAHLLOKOSA-N 2 1 352.454 0.966 20 0 FCADMP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312041185 488895305 /nfs/dbraw/zinc/89/53/05/488895305.db2.gz WHQILHXQHIXDBD-MSOLQXFVSA-N 2 1 356.470 0.399 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278968269 488907695 /nfs/dbraw/zinc/90/76/95/488907695.db2.gz IQYDEIFLMKVBEI-BBRMVZONSA-N 2 1 362.478 0.159 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000364048083 488917941 /nfs/dbraw/zinc/91/79/41/488917941.db2.gz NOGAWZXVCGJLTN-WMZOPIPTSA-N 2 1 371.547 0.987 20 0 FCADMP COC(=O)CNC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364232367 488938551 /nfs/dbraw/zinc/93/85/51/488938551.db2.gz YUJWBXZJVQMXBU-IYBDPMFKSA-N 2 1 369.506 0.877 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000364281685 488943781 /nfs/dbraw/zinc/94/37/81/488943781.db2.gz VWUYBTXANMCEAY-RTBURBONSA-N 2 1 360.502 0.812 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)CC1 ZINC000328977600 488957231 /nfs/dbraw/zinc/95/72/31/488957231.db2.gz QMXWKSBZIKUTMW-DODZYUBVSA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)CC1 ZINC000328977600 488957234 /nfs/dbraw/zinc/95/72/34/488957234.db2.gz QMXWKSBZIKUTMW-DODZYUBVSA-N 2 1 353.507 0.791 20 0 FCADMP O=C(CNC(=O)N1CCC(c2ncc3n2CCCC3)CC1)N1CCNCC1 ZINC000562814041 491191197 /nfs/dbraw/zinc/19/11/97/491191197.db2.gz AKZKWNFHPVIMRC-UHFFFAOYSA-N 2 1 374.489 0.540 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000569793450 491191644 /nfs/dbraw/zinc/19/16/44/491191644.db2.gz NLSDYNQBJXJQFE-GJZGRUSLSA-N 2 1 351.495 0.323 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000066102843 488324784 /nfs/dbraw/zinc/32/47/84/488324784.db2.gz FLDKHGUYZMXGGT-HNNXBMFYSA-N 2 1 357.524 0.765 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000069505908 488372931 /nfs/dbraw/zinc/37/29/31/488372931.db2.gz CBJOTVSSIBWSEP-INIZCTEOSA-N 2 1 351.495 0.323 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000069505908 488372932 /nfs/dbraw/zinc/37/29/32/488372932.db2.gz CBJOTVSSIBWSEP-INIZCTEOSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805367 488374195 /nfs/dbraw/zinc/37/41/95/488374195.db2.gz HDFMVHYSZFBZAW-KRWDZBQOSA-N 2 1 364.534 0.774 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805367 488374196 /nfs/dbraw/zinc/37/41/96/488374196.db2.gz HDFMVHYSZFBZAW-KRWDZBQOSA-N 2 1 364.534 0.774 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152717 488388181 /nfs/dbraw/zinc/38/81/81/488388181.db2.gz LNMWDXPJOOXREK-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223759 488389153 /nfs/dbraw/zinc/38/91/53/488389153.db2.gz JWLKPOPWUCBVAH-QGZVFWFLSA-N 2 1 369.554 0.670 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(C)(C)C ZINC000074301451 488390077 /nfs/dbraw/zinc/39/00/77/488390077.db2.gz WPZSTFVCNLKWEF-QAPCUYQASA-N 2 1 358.527 0.735 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000185244402 488400305 /nfs/dbraw/zinc/40/03/05/488400305.db2.gz BYAKFBMZQSBMRK-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000187372470 488409750 /nfs/dbraw/zinc/40/97/50/488409750.db2.gz OMUDJVHOPSQGQH-SJORKVTESA-N 2 1 356.511 0.368 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000190126031 488416403 /nfs/dbraw/zinc/41/64/03/488416403.db2.gz QFVNMMIBHUGABA-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@@H]1CN(Cc2ccccc2C[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416507 /nfs/dbraw/zinc/41/65/07/488416507.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 1 364.486 0.850 20 0 FCADMP C[C@@H]1CN(Cc2ccccc2C[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416508 /nfs/dbraw/zinc/41/65/08/488416508.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 1 364.486 0.850 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000569843001 491197673 /nfs/dbraw/zinc/19/76/73/491197673.db2.gz RRCHTMOOOYLMLD-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079490887 488430171 /nfs/dbraw/zinc/43/01/71/488430171.db2.gz WGTAUXGWWWIPNM-UHFFFAOYSA-N 2 1 356.511 0.709 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000569843001 491197675 /nfs/dbraw/zinc/19/76/75/491197675.db2.gz RRCHTMOOOYLMLD-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000569843001 491197677 /nfs/dbraw/zinc/19/76/77/491197677.db2.gz RRCHTMOOOYLMLD-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000080002849 488433006 /nfs/dbraw/zinc/43/30/06/488433006.db2.gz IIMSDUHHGVDYJV-UHFFFAOYSA-N 2 1 365.522 0.714 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081396158 488441814 /nfs/dbraw/zinc/44/18/14/488441814.db2.gz AOKZWZIWTQPRDX-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081396158 488441816 /nfs/dbraw/zinc/44/18/16/488441816.db2.gz AOKZWZIWTQPRDX-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237514875 488456376 /nfs/dbraw/zinc/45/63/76/488456376.db2.gz IMMRYUAPODVEPO-JKSUJKDBSA-N 2 1 363.531 0.803 20 0 FCADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961961 488459093 /nfs/dbraw/zinc/45/90/93/488459093.db2.gz JTFIICOJERMFCJ-OALUTQOASA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000245557064 488464998 /nfs/dbraw/zinc/46/49/98/488464998.db2.gz UQJVXIBWJRCQIJ-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000245557064 488464999 /nfs/dbraw/zinc/46/49/99/488464999.db2.gz UQJVXIBWJRCQIJ-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000245557064 488465000 /nfs/dbraw/zinc/46/50/00/488465000.db2.gz UQJVXIBWJRCQIJ-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP CCC[C@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000245897857 488466899 /nfs/dbraw/zinc/46/68/99/488466899.db2.gz KSGJDOXTJSIBCZ-MSOLQXFVSA-N 2 1 369.554 0.765 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246103030 488469416 /nfs/dbraw/zinc/46/94/16/488469416.db2.gz OWQFYUSQUNXNCO-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246103030 488469418 /nfs/dbraw/zinc/46/94/18/488469418.db2.gz OWQFYUSQUNXNCO-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246103030 488469420 /nfs/dbraw/zinc/46/94/20/488469420.db2.gz OWQFYUSQUNXNCO-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246103030 488469423 /nfs/dbraw/zinc/46/94/23/488469423.db2.gz OWQFYUSQUNXNCO-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000246344063 488471785 /nfs/dbraw/zinc/47/17/85/488471785.db2.gz FAQITUCFDDSOQC-HUUCEWRRSA-N 2 1 364.494 0.620 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246534947 488473357 /nfs/dbraw/zinc/47/33/57/488473357.db2.gz VYJJVFBCNJQPGN-PKOBYXMFSA-N 2 1 370.538 0.737 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246534947 488473360 /nfs/dbraw/zinc/47/33/60/488473360.db2.gz VYJJVFBCNJQPGN-PKOBYXMFSA-N 2 1 370.538 0.737 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269260652 488484038 /nfs/dbraw/zinc/48/40/38/488484038.db2.gz VLVIZAUPDOSVPS-IBGZPJMESA-N 2 1 373.501 0.886 20 0 FCADMP O=C(C[C@H]1C[NH2+]CCO1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000269297765 488488963 /nfs/dbraw/zinc/48/89/63/488488963.db2.gz PAJXVSUVKNKSDV-KRWDZBQOSA-N 2 1 366.893 0.957 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C[C@H](C)O ZINC000248451625 488496487 /nfs/dbraw/zinc/49/64/87/488496487.db2.gz GAVHVFAGECJJLR-DOTOQJQBSA-N 2 1 364.490 0.939 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249010295 488505344 /nfs/dbraw/zinc/50/53/44/488505344.db2.gz OMUDJVHOPSQGQH-IAGOWNOFSA-N 2 1 356.511 0.368 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCCNc2ccccn2)C1 ZINC000104800427 488505634 /nfs/dbraw/zinc/50/56/34/488505634.db2.gz LDUYNSCLOOKWLW-OAHLLOKOSA-N 2 1 362.478 0.770 20 0 FCADMP C[C@H](O)CN1CC[N@@H+](CCCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249405265 488509692 /nfs/dbraw/zinc/50/96/92/488509692.db2.gz XEXAVUVHPRZUIC-ZRNYENFQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)CN1CC[NH+](CCCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249405265 488509695 /nfs/dbraw/zinc/50/96/95/488509695.db2.gz XEXAVUVHPRZUIC-ZRNYENFQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)CN1CC[NH+](CCCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249405265 488509698 /nfs/dbraw/zinc/50/96/98/488509698.db2.gz XEXAVUVHPRZUIC-ZRNYENFQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249405265 488509699 /nfs/dbraw/zinc/50/96/99/488509699.db2.gz XEXAVUVHPRZUIC-ZRNYENFQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249405265 488509700 /nfs/dbraw/zinc/50/97/00/488509700.db2.gz XEXAVUVHPRZUIC-ZRNYENFQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249802500 488514527 /nfs/dbraw/zinc/51/45/27/488514527.db2.gz ZHQHWOYMOJBYKO-ZACQAIPSSA-N 2 1 367.538 0.816 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000253132969 488519291 /nfs/dbraw/zinc/51/92/91/488519291.db2.gz XJIHKDWCSROPCG-HOTGVXAUSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000253132969 488519294 /nfs/dbraw/zinc/51/92/94/488519294.db2.gz XJIHKDWCSROPCG-HOTGVXAUSA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109544679 488523416 /nfs/dbraw/zinc/52/34/16/488523416.db2.gz HMRVHWBUTYNWQP-UHFFFAOYSA-N 2 1 354.495 0.903 20 0 FCADMP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261600124 488526881 /nfs/dbraw/zinc/52/68/81/488526881.db2.gz AYKQUQJQKOICLW-OAHLLOKOSA-N 2 1 350.438 0.571 20 0 FCADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261609976 488527031 /nfs/dbraw/zinc/52/70/31/488527031.db2.gz DNNXVDIXCOFODK-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP C[NH+]1CCN(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000111592941 488530125 /nfs/dbraw/zinc/53/01/25/488530125.db2.gz CUWPEMFAIAIWOL-KRWDZBQOSA-N 2 1 373.501 0.570 20 0 FCADMP C[NH+]1CCN(CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000111592941 488530126 /nfs/dbraw/zinc/53/01/26/488530126.db2.gz CUWPEMFAIAIWOL-KRWDZBQOSA-N 2 1 373.501 0.570 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CC(=O)NC)CC1 ZINC000113406139 488538057 /nfs/dbraw/zinc/53/80/57/488538057.db2.gz KZQIAAFKFBYQFU-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000113406139 488538060 /nfs/dbraw/zinc/53/80/60/488538060.db2.gz KZQIAAFKFBYQFU-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261877241 488539471 /nfs/dbraw/zinc/53/94/71/488539471.db2.gz UGHNCRYMEPXGOX-SUMWQHHRSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261877241 488539472 /nfs/dbraw/zinc/53/94/72/488539472.db2.gz UGHNCRYMEPXGOX-SUMWQHHRSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261885989 488540035 /nfs/dbraw/zinc/54/00/35/488540035.db2.gz PXBCJWDSKQYKJE-LTIDMASMSA-N 2 1 366.506 0.250 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881472 488540178 /nfs/dbraw/zinc/54/01/78/488540178.db2.gz PFFQCBZGWPIHTG-PBHICJAKSA-N 2 1 362.518 0.871 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(C1CC1)C1CC1 ZINC000261881472 488540181 /nfs/dbraw/zinc/54/01/81/488540181.db2.gz PFFQCBZGWPIHTG-PBHICJAKSA-N 2 1 362.518 0.871 20 0 FCADMP O=C1[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1c1ccccc1 ZINC000114501885 488540843 /nfs/dbraw/zinc/54/08/43/488540843.db2.gz KGMYYAAQHVOGGU-LJQANCHMSA-N 2 1 360.502 0.772 20 0 FCADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261919757 488542290 /nfs/dbraw/zinc/54/22/90/488542290.db2.gz KFIYJYXMANCNGE-QRVBRYPASA-N 2 1 364.534 0.677 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2)CC1 ZINC000261982643 488544672 /nfs/dbraw/zinc/54/46/72/488544672.db2.gz CUULABJUSMRKPO-WOJBJXKFSA-N 2 1 371.529 0.481 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037507 488547380 /nfs/dbraw/zinc/54/73/80/488547380.db2.gz KUTZDEIEAQSYGH-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037507 488547382 /nfs/dbraw/zinc/54/73/82/488547382.db2.gz KUTZDEIEAQSYGH-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP Cc1ccc(CC(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000262109497 488551002 /nfs/dbraw/zinc/55/10/02/488551002.db2.gz MNGZIAPHRAZMOL-UHFFFAOYSA-N 2 1 358.486 0.504 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114167 488551405 /nfs/dbraw/zinc/55/14/05/488551405.db2.gz BFFIGBQUXZBWBV-GOEBONIOSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114167 488551407 /nfs/dbraw/zinc/55/14/07/488551407.db2.gz BFFIGBQUXZBWBV-GOEBONIOSA-N 2 1 364.515 0.945 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000262146582 488552983 /nfs/dbraw/zinc/55/29/83/488552983.db2.gz OXLUEPKNJCOTST-PBHICJAKSA-N 2 1 350.463 0.514 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000262164159 488554851 /nfs/dbraw/zinc/55/48/51/488554851.db2.gz HDOQSZFNPVWDLF-IRXDYDNUSA-N 2 1 350.507 0.825 20 0 FCADMP CCc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000262268692 488560567 /nfs/dbraw/zinc/56/05/67/488560567.db2.gz YFAWGANLTBKSCD-UHFFFAOYSA-N 2 1 358.486 0.829 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000262283576 488561368 /nfs/dbraw/zinc/56/13/68/488561368.db2.gz UYOIGSBUWVQLJC-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000262283577 488561419 /nfs/dbraw/zinc/56/14/19/488561419.db2.gz UYOIGSBUWVQLJC-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP CC1CC[NH+](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000120966548 488564050 /nfs/dbraw/zinc/56/40/50/488564050.db2.gz WSZLVBGSPOEMHQ-UHFFFAOYSA-N 2 1 350.467 0.231 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1CC ZINC000262325184 488564337 /nfs/dbraw/zinc/56/43/37/488564337.db2.gz RSUDQXDEUYAKFR-KRWDZBQOSA-N 2 1 363.506 0.921 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1CC ZINC000262325184 488564339 /nfs/dbraw/zinc/56/43/39/488564339.db2.gz RSUDQXDEUYAKFR-KRWDZBQOSA-N 2 1 363.506 0.921 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262346370 488565003 /nfs/dbraw/zinc/56/50/03/488565003.db2.gz IOJZCCGEGILJLO-RBSFLKMASA-N 2 1 359.536 0.636 20 0 FCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000262516864 488574465 /nfs/dbraw/zinc/57/44/65/488574465.db2.gz GUOBEGFNNKPCIK-LSDHHAIUSA-N 2 1 362.474 0.947 20 0 FCADMP C[C@@H]1C[C@@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1C ZINC000123961819 488588763 /nfs/dbraw/zinc/58/87/63/488588763.db2.gz KARPJLGGQWKYEN-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H]1C[C@@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1C ZINC000123961819 488588765 /nfs/dbraw/zinc/58/87/65/488588765.db2.gz KARPJLGGQWKYEN-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123961819 488588768 /nfs/dbraw/zinc/58/87/68/488588768.db2.gz KARPJLGGQWKYEN-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123961819 488588770 /nfs/dbraw/zinc/58/87/70/488588770.db2.gz KARPJLGGQWKYEN-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@@H+]1C ZINC000123962040 488589101 /nfs/dbraw/zinc/58/91/01/488589101.db2.gz KARPJLGGQWKYEN-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@@H]([NH+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1C ZINC000123962040 488589103 /nfs/dbraw/zinc/58/91/03/488589103.db2.gz KARPJLGGQWKYEN-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@@H]([N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123962040 488589104 /nfs/dbraw/zinc/58/91/04/488589104.db2.gz KARPJLGGQWKYEN-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP C[C@H]1C[C@@H]([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[NH+]1C ZINC000123962040 488589106 /nfs/dbraw/zinc/58/91/06/488589106.db2.gz KARPJLGGQWKYEN-KBPBESRZSA-N 2 1 362.478 0.238 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000570027261 491210746 /nfs/dbraw/zinc/21/07/46/491210746.db2.gz HNUIDJUHVFRIGN-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000570027261 491210747 /nfs/dbraw/zinc/21/07/47/491210747.db2.gz HNUIDJUHVFRIGN-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000262770625 488591718 /nfs/dbraw/zinc/59/17/18/488591718.db2.gz HREUFADMJBOCHC-BEFAXECRSA-N 2 1 368.522 0.626 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000124374310 488591843 /nfs/dbraw/zinc/59/18/43/488591843.db2.gz RMRKNUJDXCEGFI-UHFFFAOYSA-N 2 1 354.539 0.877 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1(C)C ZINC000262803265 488594657 /nfs/dbraw/zinc/59/46/57/488594657.db2.gz RQYJLXJHVUKVHU-FCEWJHQRSA-N 2 1 354.539 0.909 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000563074939 491213084 /nfs/dbraw/zinc/21/30/84/491213084.db2.gz VDRBYDACETUILE-OALUTQOASA-N 2 1 372.513 0.926 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273159376 488635316 /nfs/dbraw/zinc/63/53/16/488635316.db2.gz ZCQGUMLUUANGLO-VQIMIIECSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159338 488635642 /nfs/dbraw/zinc/63/56/42/488635642.db2.gz ZBWUZEIBYUMBDJ-VQIMIIECSA-N 2 1 360.502 0.505 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159338 488635644 /nfs/dbraw/zinc/63/56/44/488635644.db2.gz ZBWUZEIBYUMBDJ-VQIMIIECSA-N 2 1 360.502 0.505 20 0 FCADMP CCC(CC)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000132105123 488651035 /nfs/dbraw/zinc/65/10/35/488651035.db2.gz ZSZDJTDBMPJOHZ-DLBZAZTESA-N 2 1 368.522 0.437 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000264435532 488673541 /nfs/dbraw/zinc/67/35/41/488673541.db2.gz CNRSFIJKFXUNOL-ZWKOTPCHSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264435532 488673542 /nfs/dbraw/zinc/67/35/42/488673542.db2.gz CNRSFIJKFXUNOL-ZWKOTPCHSA-N 2 1 373.501 0.900 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000264435532 488673545 /nfs/dbraw/zinc/67/35/45/488673545.db2.gz CNRSFIJKFXUNOL-ZWKOTPCHSA-N 2 1 373.501 0.900 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491014 488679162 /nfs/dbraw/zinc/67/91/62/488679162.db2.gz PNJZCTIYNRGHHI-RBUKOAKNSA-N 2 1 360.502 0.812 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491014 488679163 /nfs/dbraw/zinc/67/91/63/488679163.db2.gz PNJZCTIYNRGHHI-RBUKOAKNSA-N 2 1 360.502 0.812 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000140193445 488686236 /nfs/dbraw/zinc/68/62/36/488686236.db2.gz CSTHVIDHBCCLCX-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000140193445 488686238 /nfs/dbraw/zinc/68/62/38/488686238.db2.gz CSTHVIDHBCCLCX-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000140193445 488686240 /nfs/dbraw/zinc/68/62/40/488686240.db2.gz CSTHVIDHBCCLCX-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264583358 488687445 /nfs/dbraw/zinc/68/74/45/488687445.db2.gz KBYVQKOURBBXIG-QGZVFWFLSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000151208750 488703026 /nfs/dbraw/zinc/70/30/26/488703026.db2.gz OHHUKTUPMACPEA-IYBDPMFKSA-N 2 1 356.511 0.584 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000264834592 488717421 /nfs/dbraw/zinc/71/74/21/488717421.db2.gz FRWXEYDKKMGDJT-UHFFFAOYSA-N 2 1 350.488 0.852 20 0 FCADMP C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000152633342 488721173 /nfs/dbraw/zinc/72/11/73/488721173.db2.gz IJIOXKJYVZLING-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000152633342 488721175 /nfs/dbraw/zinc/72/11/75/488721175.db2.gz IJIOXKJYVZLING-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000152633342 488721177 /nfs/dbraw/zinc/72/11/77/488721177.db2.gz IJIOXKJYVZLING-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000152633342 488721179 /nfs/dbraw/zinc/72/11/79/488721179.db2.gz IJIOXKJYVZLING-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000152965834 488724974 /nfs/dbraw/zinc/72/49/74/488724974.db2.gz PKJRXJZYMIKPIY-OAHLLOKOSA-N 2 1 364.494 0.764 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153546038 488732554 /nfs/dbraw/zinc/73/25/54/488732554.db2.gz NILNPHQQKICGSD-CQSZACIVSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153546038 488732557 /nfs/dbraw/zinc/73/25/57/488732557.db2.gz NILNPHQQKICGSD-CQSZACIVSA-N 2 1 350.467 0.182 20 0 FCADMP CC[NH+]1CCC([N@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000157413942 488771308 /nfs/dbraw/zinc/77/13/08/488771308.db2.gz CHMGFLGDQMLADQ-UHFFFAOYSA-N 2 1 362.478 0.240 20 0 FCADMP CC[NH+]1CCC([N@@H+](C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000157413942 488771309 /nfs/dbraw/zinc/77/13/09/488771309.db2.gz CHMGFLGDQMLADQ-UHFFFAOYSA-N 2 1 362.478 0.240 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CCSC1 ZINC000157863263 488774040 /nfs/dbraw/zinc/77/40/40/488774040.db2.gz DLKUFGJPNGSCDK-CABCVRRESA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCSC1 ZINC000157863263 488774042 /nfs/dbraw/zinc/77/40/42/488774042.db2.gz DLKUFGJPNGSCDK-CABCVRRESA-N 2 1 354.520 0.189 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CCSC1 ZINC000157863263 488774043 /nfs/dbraw/zinc/77/40/43/488774043.db2.gz DLKUFGJPNGSCDK-CABCVRRESA-N 2 1 354.520 0.189 20 0 FCADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000554729781 491221830 /nfs/dbraw/zinc/22/18/30/491221830.db2.gz IPBGJKDKNCXJGS-GBESFXJTSA-N 2 1 372.517 0.965 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)cs1 ZINC000162345095 488801943 /nfs/dbraw/zinc/80/19/43/488801943.db2.gz QGJUVGMUZRRIMD-MRXNPFEDSA-N 2 1 351.520 0.765 20 0 FCADMP COC(=O)[C@]1(F)CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000267618263 488805316 /nfs/dbraw/zinc/80/53/16/488805316.db2.gz CWOVUTKBWUPCAX-SFHVURJKSA-N 2 1 364.421 0.707 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000163436718 488807542 /nfs/dbraw/zinc/80/75/42/488807542.db2.gz HYRGCJITYSLAFN-DLBZAZTESA-N 2 1 356.511 0.347 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000164917390 488810880 /nfs/dbraw/zinc/81/08/80/488810880.db2.gz KOXKWTWCXGUHGI-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000167996436 488812538 /nfs/dbraw/zinc/81/25/38/488812538.db2.gz SVBHNVSTUSYUCA-HIFRSBDPSA-N 2 1 364.494 0.428 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@H+]1C[C@@H](C)O ZINC000167996436 488812539 /nfs/dbraw/zinc/81/25/39/488812539.db2.gz SVBHNVSTUSYUCA-HIFRSBDPSA-N 2 1 364.494 0.428 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000167815811 488812561 /nfs/dbraw/zinc/81/25/61/488812561.db2.gz DEPPRJGHRMHGME-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171619890 488824780 /nfs/dbraw/zinc/82/47/80/488824780.db2.gz RCFFDLXDNHUNFF-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172245419 488831542 /nfs/dbraw/zinc/83/15/42/488831542.db2.gz UJHSPULXRNXAAQ-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172245419 488831544 /nfs/dbraw/zinc/83/15/44/488831544.db2.gz UJHSPULXRNXAAQ-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172245424 488831594 /nfs/dbraw/zinc/83/15/94/488831594.db2.gz UJHSPULXRNXAAQ-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172245424 488831597 /nfs/dbraw/zinc/83/15/97/488831597.db2.gz UJHSPULXRNXAAQ-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000172677625 488836715 /nfs/dbraw/zinc/83/67/15/488836715.db2.gz WQQIQCMQTRVQRA-IRXDYDNUSA-N 2 1 360.506 0.978 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736428 488837151 /nfs/dbraw/zinc/83/71/51/488837151.db2.gz XFRMRUKAFYZIKW-DOTOQJQBSA-N 2 1 360.458 0.653 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736428 488837153 /nfs/dbraw/zinc/83/71/53/488837153.db2.gz XFRMRUKAFYZIKW-DOTOQJQBSA-N 2 1 360.458 0.653 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736428 488837155 /nfs/dbraw/zinc/83/71/55/488837155.db2.gz XFRMRUKAFYZIKW-DOTOQJQBSA-N 2 1 360.458 0.653 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000172736428 488837157 /nfs/dbraw/zinc/83/71/57/488837157.db2.gz XFRMRUKAFYZIKW-DOTOQJQBSA-N 2 1 360.458 0.653 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000174481955 488849340 /nfs/dbraw/zinc/84/93/40/488849340.db2.gz LQDQMSLMXSFEDP-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CCCN1Cc1ccccc1)CN1CCOCC1 ZINC000174481955 488849341 /nfs/dbraw/zinc/84/93/41/488849341.db2.gz LQDQMSLMXSFEDP-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP COCC[N@H+](C)CCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176099179 488857319 /nfs/dbraw/zinc/85/73/19/488857319.db2.gz WGQRTGFQTDXCJL-UHFFFAOYSA-N 2 1 364.494 0.940 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176099179 488857320 /nfs/dbraw/zinc/85/73/20/488857320.db2.gz WGQRTGFQTDXCJL-UHFFFAOYSA-N 2 1 364.494 0.940 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000181057795 488863043 /nfs/dbraw/zinc/86/30/43/488863043.db2.gz SBNVPGNDIZMODJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000181057795 488863044 /nfs/dbraw/zinc/86/30/44/488863044.db2.gz SBNVPGNDIZMODJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000181057795 488863045 /nfs/dbraw/zinc/86/30/45/488863045.db2.gz SBNVPGNDIZMODJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000181057795 488863046 /nfs/dbraw/zinc/86/30/46/488863046.db2.gz SBNVPGNDIZMODJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000181057795 488863047 /nfs/dbraw/zinc/86/30/47/488863047.db2.gz SBNVPGNDIZMODJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000563210638 491227787 /nfs/dbraw/zinc/22/77/87/491227787.db2.gz FUTBSPYUBCLTME-CYBMUJFWSA-N 3 1 355.446 0.886 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000563221159 491228398 /nfs/dbraw/zinc/22/83/98/491228398.db2.gz ZQHYPAVBRGQYNF-SOLBZPMBSA-N 2 1 355.523 0.283 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)(N2CCCCC2)CC1 ZINC000365024646 489030417 /nfs/dbraw/zinc/03/04/17/489030417.db2.gz CHGWNYAAYUQHGD-GJZGRUSLSA-N 2 1 352.479 0.086 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184376 489047412 /nfs/dbraw/zinc/04/74/12/489047412.db2.gz NHXMXPLLHOUFJP-QZTJIDSGSA-N 2 1 366.506 0.603 20 0 FCADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000289265255 489053736 /nfs/dbraw/zinc/05/37/36/489053736.db2.gz WMZVCPZWOGFUSK-WMZOPIPTSA-N 2 1 363.506 0.843 20 0 FCADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2CN(C)CCN2C)cc1 ZINC000289265255 489053739 /nfs/dbraw/zinc/05/37/39/489053739.db2.gz WMZVCPZWOGFUSK-WMZOPIPTSA-N 2 1 363.506 0.843 20 0 FCADMP CO[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000570282478 491230573 /nfs/dbraw/zinc/23/05/73/491230573.db2.gz ARJRJVDVOPLIRZ-MOPGFXCFSA-N 2 1 360.502 0.769 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000570296268 491231464 /nfs/dbraw/zinc/23/14/64/491231464.db2.gz KWTNMVUCPUULKK-UHFFFAOYSA-N 2 1 359.474 0.593 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000570296268 491231467 /nfs/dbraw/zinc/23/14/67/491231467.db2.gz KWTNMVUCPUULKK-UHFFFAOYSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473340 489078901 /nfs/dbraw/zinc/07/89/01/489078901.db2.gz ZXTKVPYTVIIKRV-ZACQAIPSSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473340 489078903 /nfs/dbraw/zinc/07/89/03/489078903.db2.gz ZXTKVPYTVIIKRV-ZACQAIPSSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473340 489078906 /nfs/dbraw/zinc/07/89/06/489078906.db2.gz ZXTKVPYTVIIKRV-ZACQAIPSSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473330 489078990 /nfs/dbraw/zinc/07/89/90/489078990.db2.gz ZXTKVPYTVIIKRV-BRWVUGGUSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473330 489078993 /nfs/dbraw/zinc/07/89/93/489078993.db2.gz ZXTKVPYTVIIKRV-BRWVUGGUSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCO1 ZINC000365473330 489078996 /nfs/dbraw/zinc/07/89/96/489078996.db2.gz ZXTKVPYTVIIKRV-BRWVUGGUSA-N 2 1 354.495 0.650 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC000289662881 489084946 /nfs/dbraw/zinc/08/49/46/489084946.db2.gz FAGCOTQNHMIORR-WBVHZDCISA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC000289662881 489084950 /nfs/dbraw/zinc/08/49/50/489084950.db2.gz FAGCOTQNHMIORR-WBVHZDCISA-N 2 1 361.490 0.813 20 0 FCADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570308794 491232748 /nfs/dbraw/zinc/23/27/48/491232748.db2.gz DFFHKUPSISHTOD-KBPBESRZSA-N 2 1 363.437 0.842 20 0 FCADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290065026 489111650 /nfs/dbraw/zinc/11/16/50/489111650.db2.gz VSXAHHHXFXKSKC-WBVHZDCISA-N 2 1 362.474 0.594 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366086298 489143289 /nfs/dbraw/zinc/14/32/89/489143289.db2.gz LOZNNASBNKENJO-IBGZPJMESA-N 2 1 365.522 0.714 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366086298 489143290 /nfs/dbraw/zinc/14/32/90/489143290.db2.gz LOZNNASBNKENJO-IBGZPJMESA-N 2 1 365.522 0.714 20 0 FCADMP C[N@@H+](C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778488 489164728 /nfs/dbraw/zinc/16/47/28/489164728.db2.gz MOPBBKYUYLAGPN-YLJYHZDGSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778488 489164731 /nfs/dbraw/zinc/16/47/31/489164731.db2.gz MOPBBKYUYLAGPN-YLJYHZDGSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778488 489164734 /nfs/dbraw/zinc/16/47/34/489164734.db2.gz MOPBBKYUYLAGPN-YLJYHZDGSA-N 2 1 372.469 0.638 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331386330 489204825 /nfs/dbraw/zinc/20/48/25/489204825.db2.gz IAFQLQAPBZAQHA-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000367571539 489207575 /nfs/dbraw/zinc/20/75/75/489207575.db2.gz BFNUGTVLZNDUBO-WMZOPIPTSA-N 2 1 352.523 0.770 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000367850047 489212450 /nfs/dbraw/zinc/21/24/50/489212450.db2.gz RFFYQQDKRONNBK-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1C(=O)c2ccccc2C1=O ZINC000283323359 489244376 /nfs/dbraw/zinc/24/43/76/489244376.db2.gz ZVCLZDBZXGZRNW-UHFFFAOYSA-N 2 1 358.442 0.379 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1C(=O)c2ccccc2C1=O ZINC000283323359 489244380 /nfs/dbraw/zinc/24/43/80/489244380.db2.gz ZVCLZDBZXGZRNW-UHFFFAOYSA-N 2 1 358.442 0.379 20 0 FCADMP COc1cccc([C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)[NH+](C)C)c1 ZINC000283378704 489251622 /nfs/dbraw/zinc/25/16/22/489251622.db2.gz IWFZAMVGDWTYEN-QGZVFWFLSA-N 2 1 362.474 0.625 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283407560 489255309 /nfs/dbraw/zinc/25/53/09/489255309.db2.gz KMUUGSUWEZGMFX-MSOLQXFVSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283407569 489255352 /nfs/dbraw/zinc/25/53/52/489255352.db2.gz KMUUGSUWEZGMFX-ZWKOTPCHSA-N 2 1 370.497 0.978 20 0 FCADMP COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000369599067 489256272 /nfs/dbraw/zinc/25/62/72/489256272.db2.gz GTJWQRKMDNEEII-AEFFLSMTSA-N 2 1 368.522 0.401 20 0 FCADMP COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000369599067 489256273 /nfs/dbraw/zinc/25/62/73/489256273.db2.gz GTJWQRKMDNEEII-AEFFLSMTSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988888 489264526 /nfs/dbraw/zinc/26/45/26/489264526.db2.gz INFPUQZZYLZDJM-DOTOQJQBSA-N 2 1 366.506 0.650 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333988888 489264528 /nfs/dbraw/zinc/26/45/28/489264528.db2.gz INFPUQZZYLZDJM-DOTOQJQBSA-N 2 1 366.506 0.650 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000369730122 489268239 /nfs/dbraw/zinc/26/82/39/489268239.db2.gz CPVYBQSZRDKYEA-SJORKVTESA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000369730122 489268242 /nfs/dbraw/zinc/26/82/42/489268242.db2.gz CPVYBQSZRDKYEA-SJORKVTESA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820627 489279089 /nfs/dbraw/zinc/27/90/89/489279089.db2.gz CHSLUMQYJBPXJB-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369861578 489283608 /nfs/dbraw/zinc/28/36/08/489283608.db2.gz SBGRQLNPFSKSMZ-SQNIBIBYSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369861578 489283611 /nfs/dbraw/zinc/28/36/11/489283611.db2.gz SBGRQLNPFSKSMZ-SQNIBIBYSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369861578 489283614 /nfs/dbraw/zinc/28/36/14/489283614.db2.gz SBGRQLNPFSKSMZ-SQNIBIBYSA-N 2 1 367.538 0.422 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369864962 489284728 /nfs/dbraw/zinc/28/47/28/489284728.db2.gz ZWWPDGSBPNQXMZ-ULQDDVLXSA-N 2 1 354.495 0.602 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284269108 489308991 /nfs/dbraw/zinc/30/89/91/489308991.db2.gz WSUMQJGSEYDLLX-UHFFFAOYSA-N 2 1 364.490 0.449 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000284277124 489310294 /nfs/dbraw/zinc/31/02/94/489310294.db2.gz HIFSZGYZQOXQDW-HNNXBMFYSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370075991 489314028 /nfs/dbraw/zinc/31/40/28/489314028.db2.gz CWOKLWAJEMOTLA-FUHWJXTLSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH2+][C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000285830129 489324136 /nfs/dbraw/zinc/32/41/36/489324136.db2.gz VBWAYHYFNFPJQZ-QGZVFWFLSA-N 2 1 372.473 0.288 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000285850340 489326397 /nfs/dbraw/zinc/32/63/97/489326397.db2.gz DOWDZDWYPCQEBP-UHFFFAOYSA-N 2 1 372.513 0.802 20 0 FCADMP CN(C)C(=O)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370268798 489337181 /nfs/dbraw/zinc/33/71/81/489337181.db2.gz MOZRHMPOLOTSFQ-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCn3cc[nH+]c3C)CC2)c1 ZINC000285973878 489340521 /nfs/dbraw/zinc/34/05/21/489340521.db2.gz RRGBEWDQKVLWTE-UHFFFAOYSA-N 2 1 372.429 0.060 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000362257358 489380487 /nfs/dbraw/zinc/38/04/87/489380487.db2.gz NZTWYQIPTRJEAM-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000362257358 489380491 /nfs/dbraw/zinc/38/04/91/489380491.db2.gz NZTWYQIPTRJEAM-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000362257358 489380494 /nfs/dbraw/zinc/38/04/94/489380494.db2.gz NZTWYQIPTRJEAM-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000362257358 489380496 /nfs/dbraw/zinc/38/04/96/489380496.db2.gz NZTWYQIPTRJEAM-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000563545719 491254188 /nfs/dbraw/zinc/25/41/88/491254188.db2.gz WNMAAPAPISTSMX-QGZVFWFLSA-N 2 1 373.501 0.873 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000363066140 489418896 /nfs/dbraw/zinc/41/88/96/489418896.db2.gz LCMPEXWAPHTJHU-KRWDZBQOSA-N 2 1 365.522 0.319 20 0 FCADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363072626 489419753 /nfs/dbraw/zinc/41/97/53/489419753.db2.gz RWIARTNJYXORPN-QLFBSQMISA-N 2 1 355.479 0.485 20 0 FCADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363072626 489419756 /nfs/dbraw/zinc/41/97/56/489419756.db2.gz RWIARTNJYXORPN-QLFBSQMISA-N 2 1 355.479 0.485 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183136 489434875 /nfs/dbraw/zinc/43/48/75/489434875.db2.gz OHRZHFBACJNJLA-MSOLQXFVSA-N 2 1 366.506 0.603 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363184706 489434911 /nfs/dbraw/zinc/43/49/11/489434911.db2.gz FFJRRCVNLJPLBL-HZPDHXFCSA-N 2 1 369.506 0.829 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371025708 489439615 /nfs/dbraw/zinc/43/96/15/489439615.db2.gz BDPOXIFZMKRSBF-MSOLQXFVSA-N 2 1 365.522 0.273 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027458 489440735 /nfs/dbraw/zinc/44/07/35/489440735.db2.gz IKNZDUMNHCLSJA-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371027458 489440737 /nfs/dbraw/zinc/44/07/37/489440737.db2.gz IKNZDUMNHCLSJA-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371027458 489440739 /nfs/dbraw/zinc/44/07/39/489440739.db2.gz IKNZDUMNHCLSJA-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@H](C)C1 ZINC000287025734 489453241 /nfs/dbraw/zinc/45/32/41/489453241.db2.gz RJNTZRKARBNMLW-UONOGXRCSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@H](C)C1 ZINC000287025734 489453246 /nfs/dbraw/zinc/45/32/46/489453246.db2.gz RJNTZRKARBNMLW-UONOGXRCSA-N 2 1 364.494 0.339 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CC1 ZINC000563586311 491256325 /nfs/dbraw/zinc/25/63/25/491256325.db2.gz CAVFOYUCOVPXGR-UHFFFAOYSA-N 2 1 357.520 0.441 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000570667752 491256558 /nfs/dbraw/zinc/25/65/58/491256558.db2.gz IELHRRDHJPQNNS-GOEBONIOSA-N 2 1 368.522 0.794 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000570667754 491256753 /nfs/dbraw/zinc/25/67/53/491256753.db2.gz IELHRRDHJPQNNS-ZBFHGGJFSA-N 2 1 368.522 0.794 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]CC1 ZINC000423097153 489492683 /nfs/dbraw/zinc/49/26/83/489492683.db2.gz IYMZTWPNWLCXFG-MRXNPFEDSA-N 3 1 354.539 0.923 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)c1 ZINC000423159047 489498003 /nfs/dbraw/zinc/49/80/03/489498003.db2.gz OOAMMMLPMWUUQY-MRXNPFEDSA-N 2 1 359.474 0.626 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423160769 489498191 /nfs/dbraw/zinc/49/81/91/489498191.db2.gz HVGQMIDMYBMYST-MSOLQXFVSA-N 2 1 373.501 0.702 20 0 FCADMP COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000451332492 489499676 /nfs/dbraw/zinc/49/96/76/489499676.db2.gz HLBFUYDFNKLEAH-GOSISDBHSA-N 2 1 355.479 0.487 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423203448 489502285 /nfs/dbraw/zinc/50/22/85/489502285.db2.gz MSOXCFOUHUTTSV-GASCZTMLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423234828 489506658 /nfs/dbraw/zinc/50/66/58/489506658.db2.gz QMQGEQSVTIIBMC-IEBWSBKVSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423287146 489511337 /nfs/dbraw/zinc/51/13/37/489511337.db2.gz KOVXJMZXHMEGOH-AUUYWEPGSA-N 2 1 361.490 0.645 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423287995 489512084 /nfs/dbraw/zinc/51/20/84/489512084.db2.gz PVNRNUMKVJHUKV-ULQDDVLXSA-N 2 1 373.501 0.787 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451861397 489526724 /nfs/dbraw/zinc/52/67/24/489526724.db2.gz ADDNIYVOXAEUCF-LSDHHAIUSA-N 2 1 355.508 0.386 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000425873503 489536820 /nfs/dbraw/zinc/53/68/20/489536820.db2.gz QEQWOKYHBVHUQT-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000425873503 489536823 /nfs/dbraw/zinc/53/68/23/489536823.db2.gz QEQWOKYHBVHUQT-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000425873503 489536826 /nfs/dbraw/zinc/53/68/26/489536826.db2.gz QEQWOKYHBVHUQT-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415618819 489537445 /nfs/dbraw/zinc/53/74/45/489537445.db2.gz XTCHSWGWSXWHOQ-UHFFFAOYSA-N 2 1 354.401 0.974 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000425881623 489539682 /nfs/dbraw/zinc/53/96/82/489539682.db2.gz CWBCTEKLLURZOQ-ZBFHGGJFSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000425881623 489539686 /nfs/dbraw/zinc/53/96/86/489539686.db2.gz CWBCTEKLLURZOQ-ZBFHGGJFSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC[NH3+])CC1 ZINC000415785109 489553132 /nfs/dbraw/zinc/55/31/32/489553132.db2.gz HUZYEMYLFVWGHI-UHFFFAOYSA-N 2 1 357.256 0.676 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1)[NH+]1CCOCC1 ZINC000415815506 489554823 /nfs/dbraw/zinc/55/48/23/489554823.db2.gz LIXSYUHILPYILW-LESCRADOSA-N 2 1 372.469 0.839 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)c2C1 ZINC000415858144 489560219 /nfs/dbraw/zinc/56/02/19/489560219.db2.gz IUQACOHAZUXVFF-OAHLLOKOSA-N 2 1 360.458 0.927 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)c2C1 ZINC000415858144 489560221 /nfs/dbraw/zinc/56/02/21/489560221.db2.gz IUQACOHAZUXVFF-OAHLLOKOSA-N 2 1 360.458 0.927 20 0 FCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000454222844 489565647 /nfs/dbraw/zinc/56/56/47/489565647.db2.gz YXLHKPPXKJBBTH-SJORKVTESA-N 2 1 373.505 0.334 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000454222844 489565649 /nfs/dbraw/zinc/56/56/49/489565649.db2.gz YXLHKPPXKJBBTH-SJORKVTESA-N 2 1 373.505 0.334 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005749 489567224 /nfs/dbraw/zinc/56/72/24/489567224.db2.gz KDVDBUWGUQIRRH-WDEREUQCSA-N 2 1 354.373 0.545 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007258 489567535 /nfs/dbraw/zinc/56/75/35/489567535.db2.gz MLCFDHKYNLWMLL-VXGBXAGGSA-N 2 1 365.400 0.214 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000570792798 491264936 /nfs/dbraw/zinc/26/49/36/491264936.db2.gz VZBCNZNYWMJKNG-INIZCTEOSA-N 2 1 359.474 0.639 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455670087 489598004 /nfs/dbraw/zinc/59/80/04/489598004.db2.gz PVKFALQMWNPWQW-OAHLLOKOSA-N 2 1 352.483 0.923 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000427298216 489601687 /nfs/dbraw/zinc/60/16/87/489601687.db2.gz AJHZICJXQCPMAK-HIFRSBDPSA-N 2 1 362.478 0.687 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555686880 491266018 /nfs/dbraw/zinc/26/60/18/491266018.db2.gz GIFIRVAITYKWFV-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416925779 489634095 /nfs/dbraw/zinc/63/40/95/489634095.db2.gz SXZAJRZVCZMVIG-HOTGVXAUSA-N 2 1 355.527 0.469 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038368 489634304 /nfs/dbraw/zinc/63/43/04/489634304.db2.gz YBPFHQHMYSOYEM-PBHICJAKSA-N 2 1 353.488 1.000 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038368 489634306 /nfs/dbraw/zinc/63/43/06/489634306.db2.gz YBPFHQHMYSOYEM-PBHICJAKSA-N 2 1 353.488 1.000 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000416950420 489635387 /nfs/dbraw/zinc/63/53/87/489635387.db2.gz RDSJZGYYXGCZJY-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000416953724 489636034 /nfs/dbraw/zinc/63/60/34/489636034.db2.gz PJQZDLMNQKWUKH-CVEARBPZSA-N 2 1 361.494 0.381 20 0 FCADMP C[C@H](CCCC[NH3+])NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416956853 489636259 /nfs/dbraw/zinc/63/62/59/489636259.db2.gz SCFRXTYRDIZBCG-MRXNPFEDSA-N 2 1 363.510 0.805 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963723 489636557 /nfs/dbraw/zinc/63/65/57/489636557.db2.gz ZXQJHMWFRGVJPD-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962915 489636910 /nfs/dbraw/zinc/63/69/10/489636910.db2.gz YURWGWSYLVWJBW-UHFFFAOYSA-N 2 1 363.510 0.615 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCC[C@@H](C)C1 ZINC000417027559 489639223 /nfs/dbraw/zinc/63/92/23/489639223.db2.gz ZXXZIHRLJFYTSW-PMPSAXMXSA-N 2 1 353.511 0.603 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417052594 489639834 /nfs/dbraw/zinc/63/98/34/489639834.db2.gz QESBIVMAHKUTBX-LSDHHAIUSA-N 2 1 353.511 0.794 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417053665 489639904 /nfs/dbraw/zinc/63/99/04/489639904.db2.gz SRVVVDRIQJBMCV-GOEBONIOSA-N 2 1 353.511 0.794 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417056037 489639942 /nfs/dbraw/zinc/63/99/42/489639942.db2.gz YJLDLIZEEPDBBM-INIZCTEOSA-N 2 1 355.527 0.992 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417046487 489640170 /nfs/dbraw/zinc/64/01/70/489640170.db2.gz BIMZYHVZWRFCMR-ZBFHGGJFSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242118 489645647 /nfs/dbraw/zinc/64/56/47/489645647.db2.gz SYCXIXJSOMIJHP-JKSUJKDBSA-N 2 1 367.538 0.993 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236362 489645657 /nfs/dbraw/zinc/64/56/57/489645657.db2.gz FIJQYPATORBJPZ-KBPBESRZSA-N 2 1 365.444 0.854 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417252265 489645685 /nfs/dbraw/zinc/64/56/85/489645685.db2.gz JIAOIXBCAVKLIR-YYIAUSFCSA-N 2 1 367.538 0.849 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417323625 489649056 /nfs/dbraw/zinc/64/90/56/489649056.db2.gz HAADHLVSWBRHOX-PMPSAXMXSA-N 2 1 353.511 0.603 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CCCO)C[C@H](C)O1 ZINC000457570693 489650138 /nfs/dbraw/zinc/65/01/38/489650138.db2.gz HMVLLZRIKJAVOZ-IXDOHACOSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C[C@H](C)O1 ZINC000457570693 489650140 /nfs/dbraw/zinc/65/01/40/489650140.db2.gz HMVLLZRIKJAVOZ-IXDOHACOSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C[C@H](C)O1 ZINC000457570693 489650142 /nfs/dbraw/zinc/65/01/42/489650142.db2.gz HMVLLZRIKJAVOZ-IXDOHACOSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428513991 489651299 /nfs/dbraw/zinc/65/12/99/489651299.db2.gz ZUXAYWIAXHYCNO-BETUJISGSA-N 2 1 354.476 0.735 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417430768 489652756 /nfs/dbraw/zinc/65/27/56/489652756.db2.gz PVWJQFDIGCZKGY-XHSDSOJGSA-N 2 1 353.511 0.840 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417432786 489652852 /nfs/dbraw/zinc/65/28/52/489652852.db2.gz UBDVAORIXLSELH-HNNXBMFYSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448769 489655011 /nfs/dbraw/zinc/65/50/11/489655011.db2.gz WIIQRVDDTAMMFW-QWHCGFSZSA-N 2 1 353.433 0.852 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511056 489656999 /nfs/dbraw/zinc/65/69/99/489656999.db2.gz YCZSIBRFKWKZQV-OALUTQOASA-N 2 1 359.518 0.754 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000417519128 489657048 /nfs/dbraw/zinc/65/70/48/489657048.db2.gz ULFMMZNJRTUYKH-FGTMMUONSA-N 2 1 364.490 0.576 20 0 FCADMP C[N@@H+](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000417510070 489657080 /nfs/dbraw/zinc/65/70/80/489657080.db2.gz SNCXJCDYMSWDJQ-CQSZACIVSA-N 2 1 365.444 0.996 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417542277 489657564 /nfs/dbraw/zinc/65/75/64/489657564.db2.gz DKZDHGWKTOXAFR-RHSMWYFYSA-N 2 1 361.490 0.920 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417542276 489657575 /nfs/dbraw/zinc/65/75/75/489657575.db2.gz DKZDHGWKTOXAFR-PBHICJAKSA-N 2 1 361.490 0.920 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000417548589 489658231 /nfs/dbraw/zinc/65/82/31/489658231.db2.gz QZMQPMOUGSOVFT-MSOLQXFVSA-N 2 1 373.501 0.887 20 0 FCADMP C[N@H+](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000428624319 489658338 /nfs/dbraw/zinc/65/83/38/489658338.db2.gz GLHXTCZRAJHADX-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[N@@H+](CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000428624319 489658339 /nfs/dbraw/zinc/65/83/39/489658339.db2.gz GLHXTCZRAJHADX-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620619 489660472 /nfs/dbraw/zinc/66/04/72/489660472.db2.gz DHSDBSQZVZSYFN-ZBFHGGJFSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417741150 489663540 /nfs/dbraw/zinc/66/35/40/489663540.db2.gz IMYFCULUSNISKY-ZACQAIPSSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417745609 489663883 /nfs/dbraw/zinc/66/38/83/489663883.db2.gz OGRNJZIJOFOGAA-APWZRJJASA-N 2 1 360.506 0.972 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417744561 489664267 /nfs/dbraw/zinc/66/42/67/489664267.db2.gz NCWNAVQFZBRPMM-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417864016 489669120 /nfs/dbraw/zinc/66/91/20/489669120.db2.gz AWQRFEUMTISDOG-VNQPRFMTSA-N 2 1 351.495 0.498 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373110424 489669760 /nfs/dbraw/zinc/66/97/60/489669760.db2.gz NXHYXSSWOYQGMZ-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000373129204 489671839 /nfs/dbraw/zinc/67/18/39/489671839.db2.gz YCRKIVLWOQMMPA-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000373129204 489671841 /nfs/dbraw/zinc/67/18/41/489671841.db2.gz YCRKIVLWOQMMPA-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[N@H+]1C ZINC000418001085 489674707 /nfs/dbraw/zinc/67/47/07/489674707.db2.gz KHLSDOXAAXMHLU-VQHPVUNQSA-N 2 1 365.522 0.759 20 0 FCADMP COCC1(CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000418120227 489679374 /nfs/dbraw/zinc/67/93/74/489679374.db2.gz VSKBXXJMVXEPSS-INIZCTEOSA-N 2 1 356.511 0.803 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000555756389 491270789 /nfs/dbraw/zinc/27/07/89/491270789.db2.gz FUTBXOIIYWJWLH-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823304 491271272 /nfs/dbraw/zinc/27/12/72/491271272.db2.gz YOLVFAWBMSXNQS-XJNFMUPTSA-N 2 1 363.506 0.593 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000570880000 491271378 /nfs/dbraw/zinc/27/13/78/491271378.db2.gz VZXZQEJFHMVKFT-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000570880000 491271381 /nfs/dbraw/zinc/27/13/81/491271381.db2.gz VZXZQEJFHMVKFT-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000570880000 491271384 /nfs/dbraw/zinc/27/13/84/491271384.db2.gz VZXZQEJFHMVKFT-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000373898003 489690414 /nfs/dbraw/zinc/69/04/14/489690414.db2.gz MSEHCCQCOSIMFO-UHFFFAOYSA-N 2 1 362.478 0.641 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000458798628 489703126 /nfs/dbraw/zinc/70/31/26/489703126.db2.gz ZDDJSSWKNIXHIX-MRXNPFEDSA-N 2 1 356.511 0.896 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458798628 489703127 /nfs/dbraw/zinc/70/31/27/489703127.db2.gz ZDDJSSWKNIXHIX-MRXNPFEDSA-N 2 1 356.511 0.896 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458798628 489703129 /nfs/dbraw/zinc/70/31/29/489703129.db2.gz ZDDJSSWKNIXHIX-MRXNPFEDSA-N 2 1 356.511 0.896 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418642702 489714705 /nfs/dbraw/zinc/71/47/05/489714705.db2.gz RWNXDUZPPCOMNQ-UHFFFAOYSA-N 2 1 369.554 0.718 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000555730134 491268218 /nfs/dbraw/zinc/26/82/18/491268218.db2.gz KYSOSDJYAWEQFB-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000555730134 491268221 /nfs/dbraw/zinc/26/82/21/491268221.db2.gz KYSOSDJYAWEQFB-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000555730134 491268224 /nfs/dbraw/zinc/26/82/24/491268224.db2.gz KYSOSDJYAWEQFB-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000570926267 491273698 /nfs/dbraw/zinc/27/36/98/491273698.db2.gz MSPYREHGMGBVOO-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@](O)(CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000418669607 489717526 /nfs/dbraw/zinc/71/75/26/489717526.db2.gz JMFKHJRWMUGYMP-HKUYNNGSSA-N 2 1 364.490 0.849 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)C1 ZINC000418786044 489726647 /nfs/dbraw/zinc/72/66/47/489726647.db2.gz HWDRERSQLAQCBV-XUWVNRHRSA-N 2 1 352.479 0.653 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)C1 ZINC000418786044 489726650 /nfs/dbraw/zinc/72/66/50/489726650.db2.gz HWDRERSQLAQCBV-XUWVNRHRSA-N 2 1 352.479 0.653 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418823272 489739504 /nfs/dbraw/zinc/73/95/04/489739504.db2.gz BXPALUIUVXSZAO-HNNXBMFYSA-N 2 1 352.479 0.006 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000418825630 489741176 /nfs/dbraw/zinc/74/11/76/489741176.db2.gz AJZTWJOUHOZGIS-GDBMZVCRSA-N 2 1 362.474 0.754 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000563890895 491275609 /nfs/dbraw/zinc/27/56/09/491275609.db2.gz UNWRTXAJRWFJHQ-QZWWFDLISA-N 2 1 358.490 0.573 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000418830199 489743178 /nfs/dbraw/zinc/74/31/78/489743178.db2.gz FMZXCLSNIMBGSY-OXJNMPFZSA-N 2 1 374.485 0.626 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000418829532 489743658 /nfs/dbraw/zinc/74/36/58/489743658.db2.gz HCGQUCRMUFACJB-OWCLPIDISA-N 2 1 362.474 0.976 20 0 FCADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1C[NH3+] ZINC000430571419 489747399 /nfs/dbraw/zinc/74/73/99/489747399.db2.gz CUCQXAMPXTWRCJ-WFASDCNBSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1C[NH3+] ZINC000430571419 489747402 /nfs/dbraw/zinc/74/74/02/489747402.db2.gz CUCQXAMPXTWRCJ-WFASDCNBSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000430593795 489749283 /nfs/dbraw/zinc/74/92/83/489749283.db2.gz JGQUTYMXHNORQL-CHWSQXEVSA-N 2 1 370.519 0.816 20 0 FCADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000430593795 489749285 /nfs/dbraw/zinc/74/92/85/489749285.db2.gz JGQUTYMXHNORQL-CHWSQXEVSA-N 2 1 370.519 0.816 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(OCCC[NH3+])CC2)C1 ZINC000430589007 489749754 /nfs/dbraw/zinc/74/97/54/489749754.db2.gz GSTDGFQQVWQRGB-GOSISDBHSA-N 2 1 370.538 0.289 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000418839644 489750200 /nfs/dbraw/zinc/75/02/00/489750200.db2.gz DGXFGKGZAZNECT-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418843043 489752309 /nfs/dbraw/zinc/75/23/09/489752309.db2.gz RBMRWEIHIZWOFG-HNAYVOBHSA-N 2 1 360.458 0.745 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000430614498 489753121 /nfs/dbraw/zinc/75/31/21/489753121.db2.gz YTULOTDJJWVPLN-INIZCTEOSA-N 2 1 350.507 0.969 20 0 FCADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611590 489753223 /nfs/dbraw/zinc/75/32/23/489753223.db2.gz ORIQBFJAIGPHCK-GDBMZVCRSA-N 2 1 362.474 0.487 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000418848151 489754531 /nfs/dbraw/zinc/75/45/31/489754531.db2.gz KRYRRHDQVCFUCZ-FMKPAKJESA-N 2 1 362.474 0.671 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633760 489759032 /nfs/dbraw/zinc/75/90/32/489759032.db2.gz QDFBQRFBOIFQAP-HOCLYGCPSA-N 2 1 364.465 0.660 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633755 489759269 /nfs/dbraw/zinc/75/92/69/489759269.db2.gz QDFBQRFBOIFQAP-GDBMZVCRSA-N 2 1 364.465 0.660 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000418856546 489759799 /nfs/dbraw/zinc/75/97/99/489759799.db2.gz XCOCHUTYUKULFW-GDBMZVCRSA-N 2 1 362.474 0.672 20 0 FCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646606 489761477 /nfs/dbraw/zinc/76/14/77/489761477.db2.gz WRRVHUSWAGJSAE-CVEARBPZSA-N 2 1 374.489 0.059 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@@H]1CCO ZINC000459828706 489761678 /nfs/dbraw/zinc/76/16/78/489761678.db2.gz FHYRXOUPDLMZLE-QGZVFWFLSA-N 2 1 368.522 0.234 20 0 FCADMP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430648360 489761810 /nfs/dbraw/zinc/76/18/10/489761810.db2.gz QYEBJTWNDDZUAE-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430648360 489761813 /nfs/dbraw/zinc/76/18/13/489761813.db2.gz QYEBJTWNDDZUAE-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP C[NH2+][C@@H]1CCN([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430643076 489761950 /nfs/dbraw/zinc/76/19/50/489761950.db2.gz LIKPSCLGGXNXTR-VQIMIIECSA-N 2 1 360.502 0.817 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418863220 489763433 /nfs/dbraw/zinc/76/34/33/489763433.db2.gz PCJMFUXRKIFFFR-FCGDIQPGSA-N 2 1 370.497 0.881 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1)N1CC[NH2+]CC1 ZINC000430656713 489763524 /nfs/dbraw/zinc/76/35/24/489763524.db2.gz ULMLLXDCWVGXOX-CYBMUJFWSA-N 2 1 361.471 0.400 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418865334 489765210 /nfs/dbraw/zinc/76/52/10/489765210.db2.gz RKLGGUKUUVFWHH-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@H]3C[NH2+]CCO3)CC2)oc1C ZINC000430712353 489766944 /nfs/dbraw/zinc/76/69/44/489766944.db2.gz YZLKNKKYFORVJD-INIZCTEOSA-N 2 1 350.463 0.998 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418870616 489767744 /nfs/dbraw/zinc/76/77/44/489767744.db2.gz YKRKWHVODRSYTJ-BHYGNILZSA-N 2 1 374.485 0.606 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000430756798 489768922 /nfs/dbraw/zinc/76/89/22/489768922.db2.gz MVBGBHQXIGVIIP-QGZVFWFLSA-N 2 1 360.458 0.069 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000474555737 489769152 /nfs/dbraw/zinc/76/91/52/489769152.db2.gz IUDMENRGNWRSOM-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000474555737 489769156 /nfs/dbraw/zinc/76/91/56/489769156.db2.gz IUDMENRGNWRSOM-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000418875039 489769761 /nfs/dbraw/zinc/76/97/61/489769761.db2.gz CLGOKYFARRKBAG-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000418880259 489771901 /nfs/dbraw/zinc/77/19/01/489771901.db2.gz PCACPMVKMYCAHS-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430877346 489773945 /nfs/dbraw/zinc/77/39/45/489773945.db2.gz XADZRICQWUIWBU-DOTOQJQBSA-N 2 1 362.474 0.754 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430877346 489773947 /nfs/dbraw/zinc/77/39/47/489773947.db2.gz XADZRICQWUIWBU-DOTOQJQBSA-N 2 1 362.474 0.754 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cccs3)CC2)C[C@H](C)[N@@H+]1C ZINC000459868193 489774818 /nfs/dbraw/zinc/77/48/18/489774818.db2.gz TWTSEZIKBVQPSM-GASCZTMLSA-N 2 1 364.515 0.943 20 0 FCADMP C[NH2+]C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430927157 489778761 /nfs/dbraw/zinc/77/87/61/489778761.db2.gz PXBFMGZBAKBZLE-UHFFFAOYSA-N 2 1 368.503 0.067 20 0 FCADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000430927617 489778922 /nfs/dbraw/zinc/77/89/22/489778922.db2.gz RKRLNNVEYZSCES-CYBMUJFWSA-N 2 1 368.503 0.935 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430932013 489778944 /nfs/dbraw/zinc/77/89/44/489778944.db2.gz DCPQUYLLAPBQBG-CJNGLKHVSA-N 2 1 368.503 0.052 20 0 FCADMP Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430936855 489779402 /nfs/dbraw/zinc/77/94/02/489779402.db2.gz XHCWJWVBTIDUOC-INIZCTEOSA-N 2 1 358.486 0.996 20 0 FCADMP Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430936855 489779408 /nfs/dbraw/zinc/77/94/08/489779408.db2.gz XHCWJWVBTIDUOC-INIZCTEOSA-N 2 1 358.486 0.996 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000418900499 489782011 /nfs/dbraw/zinc/78/20/11/489782011.db2.gz DCIFSEBLBKCJDT-BSDSXHPESA-N 2 1 374.485 0.513 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000418900496 489782589 /nfs/dbraw/zinc/78/25/89/489782589.db2.gz DCIFSEBLBKCJDT-BRSBDYLESA-N 2 1 374.485 0.513 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000418911906 489787175 /nfs/dbraw/zinc/78/71/75/489787175.db2.gz CNXRXLWZDGWXPQ-KRWDZBQOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000418927427 489792807 /nfs/dbraw/zinc/79/28/07/489792807.db2.gz SVPDNTAHTBBFTH-HOCLYGCPSA-N 2 1 354.495 0.045 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000459922081 489795394 /nfs/dbraw/zinc/79/53/94/489795394.db2.gz PWOYCLNENCDNDX-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000459922081 489795399 /nfs/dbraw/zinc/79/53/99/489795399.db2.gz PWOYCLNENCDNDX-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000459922081 489795405 /nfs/dbraw/zinc/79/54/05/489795405.db2.gz PWOYCLNENCDNDX-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418937178 489795914 /nfs/dbraw/zinc/79/59/14/489795914.db2.gz FRFCJBMAUJOMJY-HOCLYGCPSA-N 2 1 362.474 0.464 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418937179 489796162 /nfs/dbraw/zinc/79/61/62/489796162.db2.gz FRFCJBMAUJOMJY-ZBFHGGJFSA-N 2 1 362.474 0.464 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376795879 489797101 /nfs/dbraw/zinc/79/71/01/489797101.db2.gz AGUAPPHDNXHXHH-NVXWUHKLSA-N 2 1 365.522 0.807 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418952946 489802888 /nfs/dbraw/zinc/80/28/88/489802888.db2.gz ZBWUFHBULBTOEV-OKZBNKHCSA-N 2 1 358.486 0.820 20 0 FCADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563957784 491279694 /nfs/dbraw/zinc/27/96/94/491279694.db2.gz SUYDDKODDMDOML-SQNIBIBYSA-N 2 1 369.531 0.711 20 0 FCADMP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475149827 489808011 /nfs/dbraw/zinc/80/80/11/489808011.db2.gz QQGXWHJNWLMZDU-FCEWJHQRSA-N 2 1 372.506 0.891 20 0 FCADMP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475149827 489808013 /nfs/dbraw/zinc/80/80/13/489808013.db2.gz QQGXWHJNWLMZDU-FCEWJHQRSA-N 2 1 372.506 0.891 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418988002 489811403 /nfs/dbraw/zinc/81/14/03/489811403.db2.gz RAWLNEUTCNWOFI-RDJZCZTQSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419019383 489820513 /nfs/dbraw/zinc/82/05/13/489820513.db2.gz DIRBYJVLAISCSI-BARDWOONSA-N 2 1 354.495 0.452 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1F ZINC000419026789 489823564 /nfs/dbraw/zinc/82/35/64/489823564.db2.gz NVMPIGSIAKGXOK-AWEZNQCLSA-N 2 1 359.405 0.743 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1F ZINC000419028899 489824457 /nfs/dbraw/zinc/82/44/57/489824457.db2.gz QXLKJAOKJASYOP-OAHLLOKOSA-N 2 1 359.405 0.790 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000419032275 489826849 /nfs/dbraw/zinc/82/68/49/489826849.db2.gz AVWUEUSBCUQOEL-NXOAAHMSSA-N 2 1 368.522 0.626 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@H](C)C1 ZINC000419035980 489828716 /nfs/dbraw/zinc/82/87/16/489828716.db2.gz FWIDTGMRYJQPTB-NCOADZHNSA-N 2 1 368.522 0.435 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000419040143 489830572 /nfs/dbraw/zinc/83/05/72/489830572.db2.gz MDHSTXUGNMSKEK-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000460053436 489833425 /nfs/dbraw/zinc/83/34/25/489833425.db2.gz FUBZZJPDZRMLFZ-HNNXBMFYSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419057959 489838363 /nfs/dbraw/zinc/83/83/63/489838363.db2.gz AZJDNLRFPPEPMJ-KBUPBQIOSA-N 2 1 354.495 0.234 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000460061069 489838591 /nfs/dbraw/zinc/83/85/91/489838591.db2.gz LZYUYROCBJFVNF-RDJZCZTQSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000460061069 489838594 /nfs/dbraw/zinc/83/85/94/489838594.db2.gz LZYUYROCBJFVNF-RDJZCZTQSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419063627 489840720 /nfs/dbraw/zinc/84/07/20/489840720.db2.gz HTLCETKFCHJAQR-OWCLPIDISA-N 2 1 370.538 0.822 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419063627 489840724 /nfs/dbraw/zinc/84/07/24/489840724.db2.gz HTLCETKFCHJAQR-OWCLPIDISA-N 2 1 370.538 0.822 20 0 FCADMP O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431869 489841550 /nfs/dbraw/zinc/84/15/50/489841550.db2.gz FHHAYESQAFRTDN-SJORKVTESA-N 2 1 365.522 0.905 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432538643 489845821 /nfs/dbraw/zinc/84/58/21/489845821.db2.gz OKKJKCMDLNYBKW-ZWKOTPCHSA-N 3 1 352.523 0.364 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077570 489846946 /nfs/dbraw/zinc/84/69/46/489846946.db2.gz RKODJQKNVAVGPL-RHSMWYFYSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077570 489846952 /nfs/dbraw/zinc/84/69/52/489846952.db2.gz RKODJQKNVAVGPL-RHSMWYFYSA-N 2 1 360.458 0.083 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000460084190 489847180 /nfs/dbraw/zinc/84/71/80/489847180.db2.gz UENKCJOGAZCAFA-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084190 489847183 /nfs/dbraw/zinc/84/71/83/489847183.db2.gz UENKCJOGAZCAFA-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000460084190 489847186 /nfs/dbraw/zinc/84/71/86/489847186.db2.gz UENKCJOGAZCAFA-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460082167 489847747 /nfs/dbraw/zinc/84/77/47/489847747.db2.gz ZVAOGUJHVSSPNQ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]c1 ZINC000419088243 489851809 /nfs/dbraw/zinc/85/18/09/489851809.db2.gz BDLUWZCSGQVFQZ-OWCLPIDISA-N 2 1 359.474 0.813 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@@H](C)O1 ZINC000419089533 489852206 /nfs/dbraw/zinc/85/22/06/489852206.db2.gz UBISTMAFOAITEP-ZIAGYGMSSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419090641 489852396 /nfs/dbraw/zinc/85/23/96/489852396.db2.gz VDHMYORGMJUWQM-CLCXKQKWSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102953 489855746 /nfs/dbraw/zinc/85/57/46/489855746.db2.gz RSYIMTOQEQVLRI-RISCZKNCSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102953 489855750 /nfs/dbraw/zinc/85/57/50/489855750.db2.gz RSYIMTOQEQVLRI-RISCZKNCSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102954 489856340 /nfs/dbraw/zinc/85/63/40/489856340.db2.gz RSYIMTOQEQVLRI-SMDDNHRTSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102954 489856344 /nfs/dbraw/zinc/85/63/44/489856344.db2.gz RSYIMTOQEQVLRI-SMDDNHRTSA-N 2 1 372.391 0.859 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419116863 489862739 /nfs/dbraw/zinc/86/27/39/489862739.db2.gz LQMAUXYZJXSBKR-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433136811 489867509 /nfs/dbraw/zinc/86/75/09/489867509.db2.gz NBHOLVVNXZHKSO-MRXNPFEDSA-N 2 1 354.539 0.741 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433162945 489869436 /nfs/dbraw/zinc/86/94/36/489869436.db2.gz WCYKVYSMLGDDFV-UHFFFAOYSA-N 3 1 353.555 0.724 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000433460838 489886397 /nfs/dbraw/zinc/88/63/97/489886397.db2.gz RUPGORKCJQKMCR-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000433460838 489886400 /nfs/dbraw/zinc/88/64/00/489886400.db2.gz RUPGORKCJQKMCR-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000433460838 489886403 /nfs/dbraw/zinc/88/64/03/489886403.db2.gz RUPGORKCJQKMCR-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461230 489886986 /nfs/dbraw/zinc/88/69/86/489886986.db2.gz DHPKXOKOAWMERS-JKSUJKDBSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461230 489886991 /nfs/dbraw/zinc/88/69/91/489886991.db2.gz DHPKXOKOAWMERS-JKSUJKDBSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461230 489886994 /nfs/dbraw/zinc/88/69/94/489886994.db2.gz DHPKXOKOAWMERS-JKSUJKDBSA-N 2 1 369.510 0.126 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433467059 489888236 /nfs/dbraw/zinc/88/82/36/489888236.db2.gz PHWPKZLTOREUFO-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420037660 489889018 /nfs/dbraw/zinc/88/90/18/489889018.db2.gz UWIWTODHBUJLQU-AEFFLSMTSA-N 2 1 358.486 0.820 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000420074025 489903209 /nfs/dbraw/zinc/90/32/09/489903209.db2.gz PYVIZVFGEMCXQU-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000420074025 489903213 /nfs/dbraw/zinc/90/32/13/489903213.db2.gz PYVIZVFGEMCXQU-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000420073583 489903786 /nfs/dbraw/zinc/90/37/86/489903786.db2.gz YISLCZCNZMGKBD-JKSUJKDBSA-N 2 1 359.474 0.672 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433925901 489904525 /nfs/dbraw/zinc/90/45/25/489904525.db2.gz XCHOGXDGURPJEP-HZPDHXFCSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433925901 489904528 /nfs/dbraw/zinc/90/45/28/489904528.db2.gz XCHOGXDGURPJEP-HZPDHXFCSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433925901 489904532 /nfs/dbraw/zinc/90/45/32/489904532.db2.gz XCHOGXDGURPJEP-HZPDHXFCSA-N 2 1 351.495 0.642 20 0 FCADMP CN(CCC[N@@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377489216 489910500 /nfs/dbraw/zinc/91/05/00/489910500.db2.gz DBBCDGGNOPGSJW-INIZCTEOSA-N 2 1 350.511 0.731 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2C)O1 ZINC000494831914 489915972 /nfs/dbraw/zinc/91/59/72/489915972.db2.gz CMNPLNACJSNEHG-HOTGVXAUSA-N 2 1 374.445 0.177 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420112623 489916465 /nfs/dbraw/zinc/91/64/65/489916465.db2.gz XQBQFRXIXQZWOF-RVKKMQEKSA-N 2 1 354.495 0.108 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000564072657 491287025 /nfs/dbraw/zinc/28/70/25/491287025.db2.gz GWPLSYPRBPNUGL-INIZCTEOSA-N 2 1 364.494 0.067 20 0 FCADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420118680 489919089 /nfs/dbraw/zinc/91/90/89/489919089.db2.gz MQIFBKJZMABKBG-WMZOPIPTSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@](O)(CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352235 489923946 /nfs/dbraw/zinc/92/39/46/489923946.db2.gz FUVZWWJSANBWRR-FUHWJXTLSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@](O)(CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352235 489923951 /nfs/dbraw/zinc/92/39/51/489923951.db2.gz FUVZWWJSANBWRR-FUHWJXTLSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000420133004 489924346 /nfs/dbraw/zinc/92/43/46/489924346.db2.gz SXCFBORLKKWULB-AEFFLSMTSA-N 2 1 358.486 0.630 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[N@@H+]1CCOC ZINC000420133966 489924462 /nfs/dbraw/zinc/92/44/62/489924462.db2.gz UCCZYDDNBGRXJV-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[N@H+]1CCOC ZINC000420133966 489924468 /nfs/dbraw/zinc/92/44/68/489924468.db2.gz UCCZYDDNBGRXJV-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420152341 489933580 /nfs/dbraw/zinc/93/35/80/489933580.db2.gz OQGINNNCXDNHII-UHFFFAOYSA-N 2 1 364.437 0.046 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000477030823 489933711 /nfs/dbraw/zinc/93/37/11/489933711.db2.gz GAFVYBQPUHGGBV-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000477030823 489933715 /nfs/dbraw/zinc/93/37/15/489933715.db2.gz GAFVYBQPUHGGBV-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420163944 489937119 /nfs/dbraw/zinc/93/71/19/489937119.db2.gz LLHFZZBKNUQNNH-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420174808 489940563 /nfs/dbraw/zinc/94/05/63/489940563.db2.gz ZFTKWSRWWKEQEX-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420174808 489940567 /nfs/dbraw/zinc/94/05/67/489940567.db2.gz ZFTKWSRWWKEQEX-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000477087322 489940711 /nfs/dbraw/zinc/94/07/11/489940711.db2.gz WJHGUKDQGZFHAE-SJORKVTESA-N 2 1 369.554 0.221 20 0 FCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420176003 489941835 /nfs/dbraw/zinc/94/18/35/489941835.db2.gz PEVHSBUXQDIIKB-UHFFFAOYSA-N 2 1 356.417 0.807 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000564124839 491289872 /nfs/dbraw/zinc/28/98/72/491289872.db2.gz BFHFYYAHPLGHGP-ZOBUZTSGSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000564124839 491289875 /nfs/dbraw/zinc/28/98/75/491289875.db2.gz BFHFYYAHPLGHGP-ZOBUZTSGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477104199 489943514 /nfs/dbraw/zinc/94/35/14/489943514.db2.gz YSTCKDUKMGGBPJ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477104196 489943649 /nfs/dbraw/zinc/94/36/49/489943649.db2.gz YSTCKDUKMGGBPJ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000420183576 489944537 /nfs/dbraw/zinc/94/45/37/489944537.db2.gz HNFBENCQIGTRHY-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000420203489 489950865 /nfs/dbraw/zinc/95/08/65/489950865.db2.gz OJIHJCUERBSNBS-GJZGRUSLSA-N 2 1 364.515 0.678 20 0 FCADMP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000420305353 489961870 /nfs/dbraw/zinc/96/18/70/489961870.db2.gz YVZYHHSCSWWISB-AWEZNQCLSA-N 2 1 362.430 0.199 20 0 FCADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000420305353 489961873 /nfs/dbraw/zinc/96/18/73/489961873.db2.gz YVZYHHSCSWWISB-AWEZNQCLSA-N 2 1 362.430 0.199 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327218 489963679 /nfs/dbraw/zinc/96/36/79/489963679.db2.gz LBCTZTXXCPPLML-SJORKVTESA-N 2 1 358.490 0.447 20 0 FCADMP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333731 489963828 /nfs/dbraw/zinc/96/38/28/489963828.db2.gz SVEKELWCHJRXOG-STQMWFEESA-N 2 1 363.462 0.445 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1ccc(Cl)cc1 ZINC000420348829 489965213 /nfs/dbraw/zinc/96/52/13/489965213.db2.gz MYXFMWBBJGGIAS-QGZVFWFLSA-N 2 1 350.894 0.978 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345297 489965608 /nfs/dbraw/zinc/96/56/08/489965608.db2.gz ALOYISKPPJQQCR-OALUTQOASA-N 3 1 359.518 0.385 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345297 489965610 /nfs/dbraw/zinc/96/56/10/489965610.db2.gz ALOYISKPPJQQCR-OALUTQOASA-N 3 1 359.518 0.385 20 0 FCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420365806 489968744 /nfs/dbraw/zinc/96/87/44/489968744.db2.gz LQUYRVVRVIEAPK-BFQNTYOBSA-N 2 1 354.476 0.639 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420384321 489969833 /nfs/dbraw/zinc/96/98/33/489969833.db2.gz GPVHQQJZLAMFPN-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000420391118 489970596 /nfs/dbraw/zinc/97/05/96/489970596.db2.gz OCBINSWURAORFW-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(=O)OC ZINC000420395684 489971790 /nfs/dbraw/zinc/97/17/90/489971790.db2.gz UISAFWKPKFVQGI-DNMXQMFDSA-N 2 1 369.506 0.909 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392475 489971854 /nfs/dbraw/zinc/97/18/54/489971854.db2.gz BOCUMMIYRVYATH-LSDHHAIUSA-N 2 1 362.540 0.079 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392475 489971857 /nfs/dbraw/zinc/97/18/57/489971857.db2.gz BOCUMMIYRVYATH-LSDHHAIUSA-N 2 1 362.540 0.079 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000477612183 489976267 /nfs/dbraw/zinc/97/62/67/489976267.db2.gz DMUBJCJMNISLDB-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000477639116 489980286 /nfs/dbraw/zinc/98/02/86/489980286.db2.gz DRRGFQZJGKTRSW-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824124 490025139 /nfs/dbraw/zinc/02/51/39/490025139.db2.gz WSTGNLGJJTZVHV-GDBMZVCRSA-N 2 1 362.474 0.625 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824124 490025143 /nfs/dbraw/zinc/02/51/43/490025143.db2.gz WSTGNLGJJTZVHV-GDBMZVCRSA-N 2 1 362.474 0.625 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044539 490050711 /nfs/dbraw/zinc/05/07/11/490050711.db2.gz XDNOGJCBYSBFOZ-DZGCQCFKSA-N 2 1 356.430 1.004 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479208259 490074334 /nfs/dbraw/zinc/07/43/34/490074334.db2.gz UOYNRWZXMYYPEP-KRWDZBQOSA-N 2 1 364.465 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CCO1 ZINC000491042806 490075714 /nfs/dbraw/zinc/07/57/14/490075714.db2.gz XSWPFHNDRMHCLQ-OAHLLOKOSA-N 2 1 356.536 0.930 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CCO1 ZINC000491042806 490075719 /nfs/dbraw/zinc/07/57/19/490075719.db2.gz XSWPFHNDRMHCLQ-OAHLLOKOSA-N 2 1 356.536 0.930 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCSC1 ZINC000421727586 490101912 /nfs/dbraw/zinc/10/19/12/490101912.db2.gz YNWHEEINXSHATF-QGZVFWFLSA-N 2 1 356.536 0.531 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000421792062 490105862 /nfs/dbraw/zinc/10/58/62/490105862.db2.gz MKQLQKQZBZQNJM-KRWDZBQOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@H+]1C1CC1 ZINC000571324420 491300835 /nfs/dbraw/zinc/30/08/35/491300835.db2.gz XBIWMWIBGLRNKR-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324420 491300837 /nfs/dbraw/zinc/30/08/37/491300837.db2.gz XBIWMWIBGLRNKR-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324420 491300839 /nfs/dbraw/zinc/30/08/39/491300839.db2.gz XBIWMWIBGLRNKR-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000382757725 490129257 /nfs/dbraw/zinc/12/92/57/490129257.db2.gz RIIHQALKVLEHSB-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+](C)C(C)(C)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520334393 490133406 /nfs/dbraw/zinc/13/34/06/490133406.db2.gz FIXNFPIRWGEGLN-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP COC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000520400868 490142885 /nfs/dbraw/zinc/14/28/85/490142885.db2.gz XJCDCOIBRRAZRT-MAUKXSAKSA-N 2 1 366.531 0.779 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000556205446 491302970 /nfs/dbraw/zinc/30/29/70/491302970.db2.gz PBUPRLHRCSBFQO-QGZVFWFLSA-N 2 1 354.520 0.094 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000465951608 490155630 /nfs/dbraw/zinc/15/56/30/490155630.db2.gz NUGNOUBKNDEWBF-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950511 490155680 /nfs/dbraw/zinc/15/56/80/490155680.db2.gz OVHHTSFXZKVBGV-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000465950502 490155892 /nfs/dbraw/zinc/15/58/92/490155892.db2.gz OTGKMFGZCROFOW-ZWKOTPCHSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000465950502 490155901 /nfs/dbraw/zinc/15/59/01/490155901.db2.gz OTGKMFGZCROFOW-ZWKOTPCHSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000465950502 490155910 /nfs/dbraw/zinc/15/59/10/490155910.db2.gz OTGKMFGZCROFOW-ZWKOTPCHSA-N 3 1 369.554 0.765 20 0 FCADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000465949291 490156514 /nfs/dbraw/zinc/15/65/14/490156514.db2.gz DOAHFWKEMNJJMH-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP Cc1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cn2cc[nH+]c12 ZINC000556220069 491304007 /nfs/dbraw/zinc/30/40/07/491304007.db2.gz MLBVMTGJPPPRLZ-UHFFFAOYSA-N 2 1 355.402 0.978 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000497478316 490166648 /nfs/dbraw/zinc/16/66/48/490166648.db2.gz JOZCBIKHZPXYCD-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000466224597 490172665 /nfs/dbraw/zinc/17/26/65/490172665.db2.gz KMMDWJXZCCFHOI-YOEHRIQHSA-N 2 1 365.522 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000466224597 490172667 /nfs/dbraw/zinc/17/26/67/490172667.db2.gz KMMDWJXZCCFHOI-YOEHRIQHSA-N 2 1 365.522 0.759 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000422126483 490177724 /nfs/dbraw/zinc/17/77/24/490177724.db2.gz WVNXXPQOFINNAS-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507153975 490183126 /nfs/dbraw/zinc/18/31/26/490183126.db2.gz KZBMPBIWWLPNEQ-DZGCQCFKSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000571410318 491305916 /nfs/dbraw/zinc/30/59/16/491305916.db2.gz HXMPIEDXAFUGHP-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000422156924 490193792 /nfs/dbraw/zinc/19/37/92/490193792.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCC[NH+](C)CCOC)CC2)CC1 ZINC000422156924 490193801 /nfs/dbraw/zinc/19/38/01/490193801.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC[NH+](C)CCOC)CC2)CC1 ZINC000422156924 490193809 /nfs/dbraw/zinc/19/38/09/490193809.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP CCN1CCC([NH+]2CCCN(C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000422156924 490193815 /nfs/dbraw/zinc/19/38/15/490193815.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP CCN1CCC([NH+]2CCCN(C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000422156924 490193820 /nfs/dbraw/zinc/19/38/20/490193820.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000466744356 490209241 /nfs/dbraw/zinc/20/92/41/490209241.db2.gz QKARPQIGYOWSAP-HNNXBMFYSA-N 2 1 356.511 0.402 20 0 FCADMP CCNC(=O)COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000546567229 490219553 /nfs/dbraw/zinc/21/95/53/490219553.db2.gz YHEWKKNTOOTAHA-GOSISDBHSA-N 2 1 351.447 0.366 20 0 FCADMP CCNC(=O)COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000546567229 490219555 /nfs/dbraw/zinc/21/95/55/490219555.db2.gz YHEWKKNTOOTAHA-GOSISDBHSA-N 2 1 351.447 0.366 20 0 FCADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000447347399 490222045 /nfs/dbraw/zinc/22/20/45/490222045.db2.gz CWBFEMPHNCRDQN-RDGPPVDQSA-N 2 1 357.539 0.889 20 0 FCADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000447347399 490222051 /nfs/dbraw/zinc/22/20/51/490222051.db2.gz CWBFEMPHNCRDQN-RDGPPVDQSA-N 2 1 357.539 0.889 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000521101968 490224916 /nfs/dbraw/zinc/22/49/16/490224916.db2.gz BNVPCKGBBJLDMT-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000521137633 490228354 /nfs/dbraw/zinc/22/83/54/490228354.db2.gz YCWFVEVDJLHMNS-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000521137633 490228358 /nfs/dbraw/zinc/22/83/58/490228358.db2.gz YCWFVEVDJLHMNS-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CNC(=O)N[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947654 490233375 /nfs/dbraw/zinc/23/33/75/490233375.db2.gz WUFBYMCZIFYMKJ-GJZGRUSLSA-N 2 1 354.499 0.163 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422299393 490240777 /nfs/dbraw/zinc/24/07/77/490240777.db2.gz TYPKJSUDIJDKSE-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000521273833 490244108 /nfs/dbraw/zinc/24/41/08/490244108.db2.gz IEQDTCNEIWSYQF-RBUKOAKNSA-N 2 1 372.513 0.878 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000521339002 490249668 /nfs/dbraw/zinc/24/96/68/490249668.db2.gz DXBWWYGKTIOUHD-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498070141 490254551 /nfs/dbraw/zinc/25/45/51/490254551.db2.gz BCQPPBPGIKMFNP-OAHLLOKOSA-N 2 1 356.536 0.470 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000521414093 490258583 /nfs/dbraw/zinc/25/85/83/490258583.db2.gz RFDCFRIYKNUBGQ-UHFFFAOYSA-N 2 1 364.515 0.551 20 0 FCADMP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000447913013 490292236 /nfs/dbraw/zinc/29/22/36/490292236.db2.gz LNXORHLJLJMHOU-SJORKVTESA-N 2 1 369.506 0.267 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C[C@@H]21 ZINC000521806216 490298591 /nfs/dbraw/zinc/29/85/91/490298591.db2.gz YTSWNTCIDSFNIR-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP CC[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC000498576758 490314503 /nfs/dbraw/zinc/31/45/03/490314503.db2.gz VCEJIJKVIDFIHD-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC000498576758 490314509 /nfs/dbraw/zinc/31/45/09/490314509.db2.gz VCEJIJKVIDFIHD-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521962530 490317328 /nfs/dbraw/zinc/31/73/28/490317328.db2.gz HRUSGDGBIYSQDQ-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521962530 490317334 /nfs/dbraw/zinc/31/73/34/490317334.db2.gz HRUSGDGBIYSQDQ-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437171 490319125 /nfs/dbraw/zinc/31/91/25/490319125.db2.gz YZGDLFZDVFRUCJ-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000422437171 490319134 /nfs/dbraw/zinc/31/91/34/490319134.db2.gz YZGDLFZDVFRUCJ-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000422437171 490319142 /nfs/dbraw/zinc/31/91/42/490319142.db2.gz YZGDLFZDVFRUCJ-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000467654350 490326492 /nfs/dbraw/zinc/32/64/92/490326492.db2.gz CGCCKBLAUCDPPR-UHFFFAOYSA-N 2 1 361.446 0.336 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000467654350 490326495 /nfs/dbraw/zinc/32/64/95/490326495.db2.gz CGCCKBLAUCDPPR-UHFFFAOYSA-N 2 1 361.446 0.336 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000422456934 490331025 /nfs/dbraw/zinc/33/10/25/490331025.db2.gz RVVOGWBEKXXMEE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000422456934 490331032 /nfs/dbraw/zinc/33/10/32/490331032.db2.gz RVVOGWBEKXXMEE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000422456934 490331039 /nfs/dbraw/zinc/33/10/39/490331039.db2.gz RVVOGWBEKXXMEE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@H]1C ZINC000483684763 490337527 /nfs/dbraw/zinc/33/75/27/490337527.db2.gz SUJLIRLOHPHJGP-ZBFHGGJFSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@H]1C ZINC000483684763 490337534 /nfs/dbraw/zinc/33/75/34/490337534.db2.gz SUJLIRLOHPHJGP-ZBFHGGJFSA-N 2 1 353.511 0.711 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138264 490345316 /nfs/dbraw/zinc/34/53/16/490345316.db2.gz VRDWFWQBUWXCKP-ROUUACIJSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138264 490345325 /nfs/dbraw/zinc/34/53/25/490345325.db2.gz VRDWFWQBUWXCKP-ROUUACIJSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000522138264 490345328 /nfs/dbraw/zinc/34/53/28/490345328.db2.gz VRDWFWQBUWXCKP-ROUUACIJSA-N 2 1 358.486 0.952 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000422488431 490353425 /nfs/dbraw/zinc/35/34/25/490353425.db2.gz NBJQGEQTKHWOTB-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCCC[C@H]1C ZINC000448488089 490356835 /nfs/dbraw/zinc/35/68/35/490356835.db2.gz OTQKWBWVVRCSKX-CABCVRRESA-N 2 1 364.494 0.762 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000409626144 490356979 /nfs/dbraw/zinc/35/69/79/490356979.db2.gz QNKWDFMMLDWUKX-IRXDYDNUSA-N 2 1 351.495 0.982 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000422498177 490360709 /nfs/dbraw/zinc/36/07/09/490360709.db2.gz WXGGUUABEJBJRZ-QGZVFWFLSA-N 2 1 373.501 0.887 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000422498177 490360712 /nfs/dbraw/zinc/36/07/12/490360712.db2.gz WXGGUUABEJBJRZ-QGZVFWFLSA-N 2 1 373.501 0.887 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000498945498 490370113 /nfs/dbraw/zinc/37/01/13/490370113.db2.gz YNCIDENSKDOFMR-IAGOWNOFSA-N 2 1 366.506 0.370 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557381438 491371548 /nfs/dbraw/zinc/37/15/48/491371548.db2.gz QXZBJMMBKCCHNR-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410992965 490377035 /nfs/dbraw/zinc/37/70/35/490377035.db2.gz XXKNIQSDSWWQGD-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000522449026 490379617 /nfs/dbraw/zinc/37/96/17/490379617.db2.gz FAJDOKIZPSAGPY-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000522449026 490379625 /nfs/dbraw/zinc/37/96/25/490379625.db2.gz FAJDOKIZPSAGPY-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000522449026 490379630 /nfs/dbraw/zinc/37/96/30/490379630.db2.gz FAJDOKIZPSAGPY-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1F ZINC000411240227 490411384 /nfs/dbraw/zinc/41/13/84/490411384.db2.gz HEYYFRHPHXKHNW-CQSZACIVSA-N 2 1 366.437 0.915 20 0 FCADMP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc(C)n1 ZINC000422587470 490417234 /nfs/dbraw/zinc/41/72/34/490417234.db2.gz HZXFERQVEMTOLA-OAHLLOKOSA-N 2 1 362.474 0.618 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000499446431 490424530 /nfs/dbraw/zinc/42/45/30/490424530.db2.gz ZXGCILHBXLVKIT-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C(C)[C@H]2C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000449814309 490428425 /nfs/dbraw/zinc/42/84/25/490428425.db2.gz KKDMILJYWYGJJL-WNRNVDISSA-N 2 1 364.534 0.785 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)ccc1C[NH+](C)C ZINC000411377925 490444667 /nfs/dbraw/zinc/44/46/67/490444667.db2.gz FIJNWLNZUJLJKS-UHFFFAOYSA-N 2 1 362.474 0.834 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)ccc1C[NH+](C)C ZINC000411377925 490444680 /nfs/dbraw/zinc/44/46/80/490444680.db2.gz FIJNWLNZUJLJKS-UHFFFAOYSA-N 2 1 362.474 0.834 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)CC1=O ZINC000509636966 490445768 /nfs/dbraw/zinc/44/57/68/490445768.db2.gz VALJLQDTSQNJBB-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1=O ZINC000509636966 490445776 /nfs/dbraw/zinc/44/57/76/490445776.db2.gz VALJLQDTSQNJBB-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1=O ZINC000509636966 490445783 /nfs/dbraw/zinc/44/57/83/490445783.db2.gz VALJLQDTSQNJBB-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000509673306 490451421 /nfs/dbraw/zinc/45/14/21/490451421.db2.gz YWURLWPDQKEWHG-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000509723731 490458456 /nfs/dbraw/zinc/45/84/56/490458456.db2.gz GLILLLQLDMIRFG-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000509723731 490458460 /nfs/dbraw/zinc/45/84/60/490458460.db2.gz GLILLLQLDMIRFG-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000509723731 490458462 /nfs/dbraw/zinc/45/84/62/490458462.db2.gz GLILLLQLDMIRFG-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746102 490469363 /nfs/dbraw/zinc/46/93/63/490469363.db2.gz VYWIRRLMIOYOSS-JKSUJKDBSA-N 3 1 368.522 0.485 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746102 490469368 /nfs/dbraw/zinc/46/93/68/490469368.db2.gz VYWIRRLMIOYOSS-JKSUJKDBSA-N 2 1 368.522 0.485 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482358 490470043 /nfs/dbraw/zinc/47/00/43/490470043.db2.gz TZLUOYRFTMSYIN-INIZCTEOSA-N 2 1 366.506 0.790 20 0 FCADMP O=C(CSCC(=O)N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000535262629 490471113 /nfs/dbraw/zinc/47/11/13/490471113.db2.gz OEWISZZRRIVVKO-OKILXGFUSA-N 2 1 366.531 0.425 20 0 FCADMP O=C(CSCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000535262629 490471119 /nfs/dbraw/zinc/47/11/19/490471119.db2.gz OEWISZZRRIVVKO-OKILXGFUSA-N 2 1 366.531 0.425 20 0 FCADMP O=C(CSCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000535262629 490471122 /nfs/dbraw/zinc/47/11/22/490471122.db2.gz OEWISZZRRIVVKO-OKILXGFUSA-N 2 1 366.531 0.425 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422765480 490472476 /nfs/dbraw/zinc/47/24/76/490472476.db2.gz WEXOGDBLSRWVKN-HZPDHXFCSA-N 2 1 352.479 0.040 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000500089275 490483165 /nfs/dbraw/zinc/48/31/65/490483165.db2.gz HCOBTPDOGVDULL-QGZVFWFLSA-N 2 1 360.568 0.664 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000535720679 490517235 /nfs/dbraw/zinc/51/72/35/490517235.db2.gz GFOHRJYHWQJYGR-KRWDZBQOSA-N 2 1 359.474 0.905 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423040065 490527357 /nfs/dbraw/zinc/52/73/57/490527357.db2.gz SJNLXEAWUYDVHF-FUHWJXTLSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423039149 490527431 /nfs/dbraw/zinc/52/74/31/490527431.db2.gz PYDIUBNYZYRTLL-HXUWFJFHSA-N 2 1 358.486 0.571 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423039148 490527558 /nfs/dbraw/zinc/52/75/58/490527558.db2.gz PYDIUBNYZYRTLL-FQEVSTJZSA-N 2 1 358.486 0.571 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423040064 490527802 /nfs/dbraw/zinc/52/78/02/490527802.db2.gz SJNLXEAWUYDVHF-AEFFLSMTSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423041875 490528587 /nfs/dbraw/zinc/52/85/87/490528587.db2.gz XZJHNZNBUAHSDB-HXUWFJFHSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423040771 490529165 /nfs/dbraw/zinc/52/91/65/490529165.db2.gz VEFMNEDRBNCQCK-WMZOPIPTSA-N 2 1 358.486 0.569 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000548800209 490542377 /nfs/dbraw/zinc/54/23/77/490542377.db2.gz IJCBDKDDMNBUNL-VAMGGRTRSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000548800209 490542379 /nfs/dbraw/zinc/54/23/79/490542379.db2.gz IJCBDKDDMNBUNL-VAMGGRTRSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000548800209 490542381 /nfs/dbraw/zinc/54/23/81/490542381.db2.gz IJCBDKDDMNBUNL-VAMGGRTRSA-N 2 1 372.513 0.376 20 0 FCADMP CC1CCC([NH+]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000485563833 490544079 /nfs/dbraw/zinc/54/40/79/490544079.db2.gz VCUVVTNAXHNEQT-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000485689537 490553742 /nfs/dbraw/zinc/55/37/42/490553742.db2.gz TUCHKZROWGAHIQ-SJORKVTESA-N 2 1 365.478 0.139 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485805224 490560428 /nfs/dbraw/zinc/56/04/28/490560428.db2.gz LBWMBHMRYFOBGF-XHSDSOJGSA-N 2 1 364.494 0.822 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000536218462 490561581 /nfs/dbraw/zinc/56/15/81/490561581.db2.gz BIJJQBZPAIJFKW-IBGZPJMESA-N 2 1 366.550 0.900 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000536218462 490561584 /nfs/dbraw/zinc/56/15/84/490561584.db2.gz BIJJQBZPAIJFKW-IBGZPJMESA-N 2 1 366.550 0.900 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000536218462 490561588 /nfs/dbraw/zinc/56/15/88/490561588.db2.gz BIJJQBZPAIJFKW-IBGZPJMESA-N 2 1 366.550 0.900 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000556796942 491337921 /nfs/dbraw/zinc/33/79/21/491337921.db2.gz CLXPVVUBMGPDPW-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)CC[NH+](C)C ZINC000556796942 491337923 /nfs/dbraw/zinc/33/79/23/491337923.db2.gz CLXPVVUBMGPDPW-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000486114319 490591583 /nfs/dbraw/zinc/59/15/83/490591583.db2.gz ALNKOPMDQBNQSA-BBRMVZONSA-N 2 1 359.474 0.597 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486289725 490606537 /nfs/dbraw/zinc/60/65/37/490606537.db2.gz FDLJDCRIPWUISQ-UTSKFRMZSA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486289725 490606545 /nfs/dbraw/zinc/60/65/45/490606545.db2.gz FDLJDCRIPWUISQ-UTSKFRMZSA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486289725 490606552 /nfs/dbraw/zinc/60/65/52/490606552.db2.gz FDLJDCRIPWUISQ-UTSKFRMZSA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000486289724 490606961 /nfs/dbraw/zinc/60/69/61/490606961.db2.gz FDLJDCRIPWUISQ-SIRPWMCASA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486289724 490606967 /nfs/dbraw/zinc/60/69/67/490606967.db2.gz FDLJDCRIPWUISQ-SIRPWMCASA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000486289724 490606970 /nfs/dbraw/zinc/60/69/70/490606970.db2.gz FDLJDCRIPWUISQ-SIRPWMCASA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)CC1 ZINC000525684491 490618433 /nfs/dbraw/zinc/61/84/33/490618433.db2.gz SNCDIAXDGXDMSW-QRVBRYPASA-N 2 1 355.523 0.643 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000556849125 491340543 /nfs/dbraw/zinc/34/05/43/491340543.db2.gz HUNRGVAWNJYSLL-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688396 490620900 /nfs/dbraw/zinc/62/09/00/490620900.db2.gz BZLAYWPLYQOGNW-HOTGVXAUSA-N 2 1 364.490 0.304 20 0 FCADMP CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702530 490623596 /nfs/dbraw/zinc/62/35/96/490623596.db2.gz PYGJQXFHBWXSQG-HUUCEWRRSA-N 2 1 352.479 0.304 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c2ccccc2)CC1 ZINC000556852377 491341252 /nfs/dbraw/zinc/34/12/52/491341252.db2.gz AQADDZZIWGWDQG-PZJWPPBQSA-N 2 1 372.513 0.548 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996060 491341661 /nfs/dbraw/zinc/34/16/61/491341661.db2.gz KVAMRTNQYQLRKE-GJZGRUSLSA-N 2 1 352.504 0.531 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486517809 490642486 /nfs/dbraw/zinc/64/24/86/490642486.db2.gz NCHUNVNYIVVHNZ-LTIDMASMSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486517809 490642491 /nfs/dbraw/zinc/64/24/91/490642491.db2.gz NCHUNVNYIVVHNZ-LTIDMASMSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486517809 490642495 /nfs/dbraw/zinc/64/24/95/490642495.db2.gz NCHUNVNYIVVHNZ-LTIDMASMSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000502019827 490668149 /nfs/dbraw/zinc/66/81/49/490668149.db2.gz SULGSCFRAHIEBR-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000526074960 490673677 /nfs/dbraw/zinc/67/36/77/490673677.db2.gz HRLMMUDGLSFVDL-UHFFFAOYSA-N 2 1 363.506 0.686 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000572124425 491350029 /nfs/dbraw/zinc/35/00/29/491350029.db2.gz VTEALGNQDPVSKC-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513476036 490732438 /nfs/dbraw/zinc/73/24/38/490732438.db2.gz MMKGBFUJNMEZHA-GJZGRUSLSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513476036 490732440 /nfs/dbraw/zinc/73/24/40/490732440.db2.gz MMKGBFUJNMEZHA-GJZGRUSLSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000488351136 490756611 /nfs/dbraw/zinc/75/66/11/490756611.db2.gz FBDSUBFROQVDCO-UGUYLWEFSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CCC1 ZINC000488351136 490756615 /nfs/dbraw/zinc/75/66/15/490756615.db2.gz FBDSUBFROQVDCO-UGUYLWEFSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CCC1 ZINC000488351136 490756617 /nfs/dbraw/zinc/75/66/17/490756617.db2.gz FBDSUBFROQVDCO-UGUYLWEFSA-N 2 1 350.507 0.537 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)CC1=O ZINC000538922477 490757623 /nfs/dbraw/zinc/75/76/23/490757623.db2.gz VTDAAIPWGBPDPN-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CC1=O ZINC000538922477 490757626 /nfs/dbraw/zinc/75/76/26/490757626.db2.gz VTDAAIPWGBPDPN-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1=O ZINC000538922477 490757629 /nfs/dbraw/zinc/75/76/29/490757629.db2.gz VTDAAIPWGBPDPN-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)Nc1nc(N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765723 490774536 /nfs/dbraw/zinc/77/45/36/490774536.db2.gz HZSIJVXYWVMOFJ-KKUMJFAQSA-N 2 1 363.510 0.106 20 0 FCADMP CC(C)Nc1nc(N2CC[N@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765723 490774538 /nfs/dbraw/zinc/77/45/38/490774538.db2.gz HZSIJVXYWVMOFJ-KKUMJFAQSA-N 2 1 363.510 0.106 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000572183144 491354470 /nfs/dbraw/zinc/35/44/70/491354470.db2.gz HWQJABJFDJOYDC-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514925118 490797988 /nfs/dbraw/zinc/79/79/88/490797988.db2.gz JNJDOJNWZZYTBN-ZWKOTPCHSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299928 490814999 /nfs/dbraw/zinc/81/49/99/490814999.db2.gz VRDGRTNTKDMTNW-ZFWWWQNUSA-N 2 1 368.503 0.572 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299928 490815000 /nfs/dbraw/zinc/81/50/00/490815000.db2.gz VRDGRTNTKDMTNW-ZFWWWQNUSA-N 2 1 368.503 0.572 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000515390666 490823655 /nfs/dbraw/zinc/82/36/55/490823655.db2.gz LUULQDZADWIOIH-CYBMUJFWSA-N 2 1 368.503 0.935 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000540696199 490834264 /nfs/dbraw/zinc/83/42/64/490834264.db2.gz KKNMIKWIPAWADV-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000540696199 490834266 /nfs/dbraw/zinc/83/42/66/490834266.db2.gz KKNMIKWIPAWADV-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000540696199 490834268 /nfs/dbraw/zinc/83/42/68/490834268.db2.gz KKNMIKWIPAWADV-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838365 490841722 /nfs/dbraw/zinc/84/17/22/490841722.db2.gz KGQUOHFKTOUCNG-OAHLLOKOSA-N 2 1 352.479 0.400 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000515919443 490843502 /nfs/dbraw/zinc/84/35/02/490843502.db2.gz KRVTYOTUHJKOBC-QGZVFWFLSA-N 3 1 367.538 0.071 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3COCC[NH2+]3)CC2)oc1C ZINC000529303336 490849065 /nfs/dbraw/zinc/84/90/65/490849065.db2.gz DMLINHDYCVBNOK-MRXNPFEDSA-N 2 1 365.478 0.791 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000516182969 490855052 /nfs/dbraw/zinc/85/50/52/490855052.db2.gz BYJOHSMHRUKTGM-HNNXBMFYSA-N 2 1 354.520 0.490 20 0 FCADMP [NH3+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000516571173 490868803 /nfs/dbraw/zinc/86/88/03/490868803.db2.gz RWTJXINUKCMYRI-IAGOWNOFSA-N 2 1 366.506 0.430 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000516591853 490869712 /nfs/dbraw/zinc/86/97/12/490869712.db2.gz BLRBMMXFHONBHK-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000541886747 490876581 /nfs/dbraw/zinc/87/65/81/490876581.db2.gz AGFRJEDPADBKTA-UHFFFAOYSA-N 2 1 353.386 0.834 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000565192361 491359046 /nfs/dbraw/zinc/35/90/46/491359046.db2.gz ZYJTWRYCWMUGLT-FQEVSTJZSA-N 2 1 371.485 0.812 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557206244 491359459 /nfs/dbraw/zinc/35/94/59/491359459.db2.gz QQDDWKZWVFMSPH-DLBZAZTESA-N 2 1 373.501 0.723 20 0 FCADMP C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000516980515 490889191 /nfs/dbraw/zinc/88/91/91/490889191.db2.gz YYCYPFLMGGTBBX-WMZOPIPTSA-N 2 1 360.502 0.732 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC000572274719 491359979 /nfs/dbraw/zinc/35/99/79/491359979.db2.gz LMNCHZOZNRMDDN-CVEARBPZSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000517221675 490899413 /nfs/dbraw/zinc/89/94/13/490899413.db2.gz XEADBEWCAPVFFU-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000517221675 490899415 /nfs/dbraw/zinc/89/94/15/490899415.db2.gz XEADBEWCAPVFFU-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000542607723 490901467 /nfs/dbraw/zinc/90/14/67/490901467.db2.gz MAGFZMREMVKLIA-QZTJIDSGSA-N 2 1 353.555 0.497 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000542607723 490901469 /nfs/dbraw/zinc/90/14/69/490901469.db2.gz MAGFZMREMVKLIA-QZTJIDSGSA-N 3 1 353.555 0.497 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000542607723 490901472 /nfs/dbraw/zinc/90/14/72/490901472.db2.gz MAGFZMREMVKLIA-QZTJIDSGSA-N 3 1 353.555 0.497 20 0 FCADMP COc1nc(NCC[NH+]2CC=CCC2)nc(NCC[N@@H+]2CC=CCC2)n1 ZINC000530430952 490905437 /nfs/dbraw/zinc/90/54/37/490905437.db2.gz SUDOYODSATUWCB-UHFFFAOYSA-N 2 1 359.478 0.072 20 0 FCADMP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000517375973 490906602 /nfs/dbraw/zinc/90/66/02/490906602.db2.gz CTLWNEIQSLXHFO-ZWKOTPCHSA-N 2 1 351.539 0.204 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000542778706 490908827 /nfs/dbraw/zinc/90/88/27/490908827.db2.gz HHFIZSRMCNVUBO-AQNXPRMDSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000542778706 490908828 /nfs/dbraw/zinc/90/88/28/490908828.db2.gz HHFIZSRMCNVUBO-AQNXPRMDSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000542778706 490908829 /nfs/dbraw/zinc/90/88/29/490908829.db2.gz HHFIZSRMCNVUBO-AQNXPRMDSA-N 2 1 372.513 0.376 20 0 FCADMP CCOc1ccnc(N2CCCN(C[C@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000518214062 490933186 /nfs/dbraw/zinc/93/31/86/490933186.db2.gz YMVJFWYASAXSGP-MRXNPFEDSA-N 2 1 367.494 0.327 20 0 FCADMP CCOc1ccnc(N2CCC[N@H+](C[C@H](O)CN(C)CCOC)CC2)n1 ZINC000518214062 490933190 /nfs/dbraw/zinc/93/31/90/490933190.db2.gz YMVJFWYASAXSGP-MRXNPFEDSA-N 2 1 367.494 0.327 20 0 FCADMP CCOc1ccnc(N2CCC[N@@H+](C[C@H](O)CN(C)CCOC)CC2)n1 ZINC000518214062 490933192 /nfs/dbraw/zinc/93/31/92/490933192.db2.gz YMVJFWYASAXSGP-MRXNPFEDSA-N 2 1 367.494 0.327 20 0 FCADMP CC[NH+](CC)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000518389431 490939324 /nfs/dbraw/zinc/93/93/24/490939324.db2.gz RRGPHSNIPBGWSJ-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1C ZINC000531201045 490945885 /nfs/dbraw/zinc/94/58/85/490945885.db2.gz OOUDYWFCWMIGDB-CQSZACIVSA-N 2 1 364.494 0.786 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244186 490947499 /nfs/dbraw/zinc/94/74/99/490947499.db2.gz BGZWVKNHXIVANX-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000518685437 490948590 /nfs/dbraw/zinc/94/85/90/490948590.db2.gz LTJIMSGHPLGYDA-QAPCUYQASA-N 2 1 356.511 0.489 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000518685437 490948592 /nfs/dbraw/zinc/94/85/92/490948592.db2.gz LTJIMSGHPLGYDA-QAPCUYQASA-N 2 1 356.511 0.489 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000518766780 490950358 /nfs/dbraw/zinc/95/03/58/490950358.db2.gz RUCOBSNGHXDEFO-UHFFFAOYSA-N 2 1 352.483 0.447 20 0 FCADMP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531298769 490950859 /nfs/dbraw/zinc/95/08/59/490950859.db2.gz LICCNVSDTNEZAO-FPOVZHCZSA-N 2 1 373.497 0.804 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000518941473 490955770 /nfs/dbraw/zinc/95/57/70/490955770.db2.gz ZTNSLONQBNAHHG-KRWDZBQOSA-N 2 1 366.506 0.254 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCC[C@@H](C)C1 ZINC000518970590 490957528 /nfs/dbraw/zinc/95/75/28/490957528.db2.gz JAUNKWXJDODRMB-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000518970590 490957529 /nfs/dbraw/zinc/95/75/29/490957529.db2.gz JAUNKWXJDODRMB-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000518970590 490957530 /nfs/dbraw/zinc/95/75/30/490957530.db2.gz JAUNKWXJDODRMB-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000544659685 490974955 /nfs/dbraw/zinc/97/49/55/490974955.db2.gz CLOWQPMKBZWSSX-QGZVFWFLSA-N 2 1 368.503 0.692 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000519558207 490976752 /nfs/dbraw/zinc/97/67/52/490976752.db2.gz PZJYRRKEQFGPFG-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531935303 490981286 /nfs/dbraw/zinc/98/12/86/490981286.db2.gz YUEHXSPKPGCUAC-MSOLQXFVSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067609 490985406 /nfs/dbraw/zinc/98/54/06/490985406.db2.gz PSZMVTUJTJUEMP-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569695389 491182471 /nfs/dbraw/zinc/18/24/71/491182471.db2.gz XGIWDPDUWNXZFJ-FVQHAEBGSA-N 2 1 363.893 0.979 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000565372714 491372872 /nfs/dbraw/zinc/37/28/72/491372872.db2.gz NDRMRMZTRJYIEG-JLSDUUJJSA-N 2 1 371.485 0.387 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270753 493337580 /nfs/dbraw/zinc/33/75/80/493337580.db2.gz PMAMTGCFDQDNGE-RDJZCZTQSA-N 2 1 359.474 0.529 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000557491045 491377401 /nfs/dbraw/zinc/37/74/01/491377401.db2.gz FTHZADSVPGHKRF-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000557491045 491377404 /nfs/dbraw/zinc/37/74/04/491377404.db2.gz FTHZADSVPGHKRF-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000557501885 491379231 /nfs/dbraw/zinc/37/92/31/491379231.db2.gz VPCHSWCLOCCQIX-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP C[NH+](CCNc1nc(NCC[N@H+](C)C2CC2)nc2c1SCC2)C1CC1 ZINC000557538928 491381133 /nfs/dbraw/zinc/38/11/33/491381133.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 2 1 362.547 0.981 20 0 FCADMP C[NH+](CCNc1nc2c(c(NCC[N@H+](C)C3CC3)n1)SCC2)C1CC1 ZINC000557538928 491381134 /nfs/dbraw/zinc/38/11/34/491381134.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 2 1 362.547 0.981 20 0 FCADMP C[NH+](CCNc1nc2c(c(NCC[N@@H+](C)C3CC3)n1)SCC2)C1CC1 ZINC000557538928 491381135 /nfs/dbraw/zinc/38/11/35/491381135.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 3 1 362.547 0.981 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000557558048 491382582 /nfs/dbraw/zinc/38/25/82/491382582.db2.gz CKVJQTRDMGDJMK-HNNXBMFYSA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000572634519 491383145 /nfs/dbraw/zinc/38/31/45/491383145.db2.gz VMDAMNUECBXNQP-BJWYYQGGSA-N 2 1 368.522 0.233 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000572634519 491383146 /nfs/dbraw/zinc/38/31/46/491383146.db2.gz VMDAMNUECBXNQP-BJWYYQGGSA-N 2 1 368.522 0.233 20 0 FCADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](O)CC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000572634519 491383148 /nfs/dbraw/zinc/38/31/48/491383148.db2.gz VMDAMNUECBXNQP-BJWYYQGGSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000557561597 491383308 /nfs/dbraw/zinc/38/33/08/491383308.db2.gz OHMDCVSBUPEYAC-CABCVRRESA-N 2 1 366.506 0.202 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000557566194 491383729 /nfs/dbraw/zinc/38/37/29/491383729.db2.gz PSWAHJKMYYIESV-RDJZCZTQSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000557566194 491383731 /nfs/dbraw/zinc/38/37/31/491383731.db2.gz PSWAHJKMYYIESV-RDJZCZTQSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566194 491383732 /nfs/dbraw/zinc/38/37/32/491383732.db2.gz PSWAHJKMYYIESV-RDJZCZTQSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566194 491383733 /nfs/dbraw/zinc/38/37/33/491383733.db2.gz PSWAHJKMYYIESV-RDJZCZTQSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000572667408 491386022 /nfs/dbraw/zinc/38/60/22/491386022.db2.gz WVMVIYDYOFIUBM-GUYCJALGSA-N 2 1 354.520 0.307 20 0 FCADMP [NH3+]C[C@@H]1CCC[C@@H]1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000565651429 491391061 /nfs/dbraw/zinc/39/10/61/491391061.db2.gz DIVXTTRFNNFYEO-HOTGVXAUSA-N 3 1 367.519 0.250 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000565714315 491394713 /nfs/dbraw/zinc/39/47/13/491394713.db2.gz ISVGVXCWGOWIPP-LSDHHAIUSA-N 2 1 361.490 0.999 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742100 491395545 /nfs/dbraw/zinc/39/55/45/491395545.db2.gz JPFZZJRJDMYFAE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000557742100 491395547 /nfs/dbraw/zinc/39/55/47/491395547.db2.gz JPFZZJRJDMYFAE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000557742100 491395549 /nfs/dbraw/zinc/39/55/49/491395549.db2.gz JPFZZJRJDMYFAE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751272 491395758 /nfs/dbraw/zinc/39/57/58/491395758.db2.gz RCVYZQAVQOJELS-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000557751272 491395761 /nfs/dbraw/zinc/39/57/61/491395761.db2.gz RCVYZQAVQOJELS-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000557751272 491395763 /nfs/dbraw/zinc/39/57/63/491395763.db2.gz RCVYZQAVQOJELS-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751275 491396049 /nfs/dbraw/zinc/39/60/49/491396049.db2.gz RCVYZQAVQOJELS-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000557751275 491396050 /nfs/dbraw/zinc/39/60/50/491396050.db2.gz RCVYZQAVQOJELS-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000557751275 491396051 /nfs/dbraw/zinc/39/60/51/491396051.db2.gz RCVYZQAVQOJELS-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000572885615 491399903 /nfs/dbraw/zinc/39/99/03/491399903.db2.gz HNXCETJMXGZLKP-ROUUACIJSA-N 2 1 372.517 0.837 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000558059684 491411264 /nfs/dbraw/zinc/41/12/64/491411264.db2.gz UEVZAGRKCRQIQJ-KGLIPLIRSA-N 2 1 364.494 0.434 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000558059684 491411267 /nfs/dbraw/zinc/41/12/67/491411267.db2.gz UEVZAGRKCRQIQJ-KGLIPLIRSA-N 2 1 364.494 0.434 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660299174 493341044 /nfs/dbraw/zinc/34/10/44/493341044.db2.gz YVPQWIBTMLWSKP-QZTJIDSGSA-N 2 1 368.522 0.896 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@@H](C)C1 ZINC000573102919 491412839 /nfs/dbraw/zinc/41/28/39/491412839.db2.gz RBSNOBZYFHYIMY-HOTGVXAUSA-N 2 1 356.511 0.260 20 0 FCADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566129632 491419313 /nfs/dbraw/zinc/41/93/13/491419313.db2.gz GWMUWSMHKLPDIN-ZBFHGGJFSA-N 2 1 355.504 0.788 20 0 FCADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566129632 491419314 /nfs/dbraw/zinc/41/93/14/491419314.db2.gz GWMUWSMHKLPDIN-ZBFHGGJFSA-N 2 1 355.504 0.788 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000558217564 491420653 /nfs/dbraw/zinc/42/06/53/491420653.db2.gz JWEYWICOWQLZTO-PKOBYXMFSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000558217564 491420654 /nfs/dbraw/zinc/42/06/54/491420654.db2.gz JWEYWICOWQLZTO-PKOBYXMFSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000566236859 491428793 /nfs/dbraw/zinc/42/87/93/491428793.db2.gz CEFSDMFFNAFHHB-MAUKXSAKSA-N 2 1 358.486 0.919 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000566236656 491428865 /nfs/dbraw/zinc/42/88/65/491428865.db2.gz HXYLNEWKTNVICD-FMKPAKJESA-N 2 1 356.511 0.482 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412999 491429465 /nfs/dbraw/zinc/42/94/65/491429465.db2.gz XCVPNTFKUGYEHE-JKSUJKDBSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000558412999 491429467 /nfs/dbraw/zinc/42/94/67/491429467.db2.gz XCVPNTFKUGYEHE-JKSUJKDBSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000558412999 491429468 /nfs/dbraw/zinc/42/94/68/491429468.db2.gz XCVPNTFKUGYEHE-JKSUJKDBSA-N 2 1 350.507 0.847 20 0 FCADMP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCN3CC[NH2+]CC3)C2=O)c1 ZINC000573491559 491436809 /nfs/dbraw/zinc/43/68/09/491436809.db2.gz POPQLKVGKILSDY-SFHVURJKSA-N 2 1 362.474 0.646 20 0 FCADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCN3CC[NH2+]CC3)C2=O)c1 ZINC000573491559 491436813 /nfs/dbraw/zinc/43/68/13/491436813.db2.gz POPQLKVGKILSDY-SFHVURJKSA-N 2 1 362.474 0.646 20 0 FCADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558602267 491437842 /nfs/dbraw/zinc/43/78/42/491437842.db2.gz UTHCWVWNDDKPGR-OAHLLOKOSA-N 2 1 355.527 0.959 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558602267 491437844 /nfs/dbraw/zinc/43/78/44/491437844.db2.gz UTHCWVWNDDKPGR-OAHLLOKOSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511298 491437873 /nfs/dbraw/zinc/43/78/73/491437873.db2.gz BXQHHOVTHYWPJS-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000573511298 491437875 /nfs/dbraw/zinc/43/78/75/491437875.db2.gz BXQHHOVTHYWPJS-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000573511298 491437878 /nfs/dbraw/zinc/43/78/78/491437878.db2.gz BXQHHOVTHYWPJS-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000573561577 491440751 /nfs/dbraw/zinc/44/07/51/491440751.db2.gz PGPHKPAQGZJIPE-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000573586256 491442723 /nfs/dbraw/zinc/44/27/23/491442723.db2.gz REBMDIYXOJMNRP-AWEZNQCLSA-N 2 1 363.487 0.869 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684653 491448219 /nfs/dbraw/zinc/44/82/19/491448219.db2.gz NCYPZQUKXUCZJP-HIFRSBDPSA-N 2 1 360.458 0.800 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684653 491448221 /nfs/dbraw/zinc/44/82/21/491448221.db2.gz NCYPZQUKXUCZJP-HIFRSBDPSA-N 2 1 360.458 0.800 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496570 491448784 /nfs/dbraw/zinc/44/87/84/491448784.db2.gz SAUHAULPYJQSRS-RCCFBDPRSA-N 2 1 356.470 0.669 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508776 491449815 /nfs/dbraw/zinc/44/98/15/491449815.db2.gz ZCXDWKPLRVINEC-GVDBMIGSSA-N 2 1 357.458 0.214 20 0 FCADMP C[NH2+][C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000573798448 491455681 /nfs/dbraw/zinc/45/56/81/491455681.db2.gz HICOAAXXYCNUPT-IBGZPJMESA-N 2 1 371.485 0.954 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000573806391 491456084 /nfs/dbraw/zinc/45/60/84/491456084.db2.gz FDUFCVTYRZLLFE-ICSRJNTNSA-N 2 1 371.529 0.609 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000573806391 491456085 /nfs/dbraw/zinc/45/60/85/491456085.db2.gz FDUFCVTYRZLLFE-ICSRJNTNSA-N 2 1 371.529 0.609 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000566807981 491468269 /nfs/dbraw/zinc/46/82/69/491468269.db2.gz XEQQFEPGANAGRK-AIANPOQGSA-N 2 1 374.489 0.840 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CN1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000566833180 491469858 /nfs/dbraw/zinc/46/98/58/491469858.db2.gz OIOAWOHRDPTWAE-QGZVFWFLSA-N 2 1 356.474 0.951 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559404942 491470671 /nfs/dbraw/zinc/47/06/71/491470671.db2.gz LWADKACYAQOBDH-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000574167814 491478896 /nfs/dbraw/zinc/47/88/96/491478896.db2.gz UWMNPFUAAKREGN-VSZNYVQBSA-N 2 1 351.539 0.947 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c2ccccc2)CC1 ZINC000567052315 491482929 /nfs/dbraw/zinc/48/29/29/491482929.db2.gz VPHVPKDLSOFOTF-QYZOEREBSA-N 2 1 358.486 0.564 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000567187015 491491156 /nfs/dbraw/zinc/49/11/56/491491156.db2.gz QRRABZHKLIJVNE-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000559745356 491494849 /nfs/dbraw/zinc/49/48/49/491494849.db2.gz NCFMSUWIMAISSK-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000559745356 491494852 /nfs/dbraw/zinc/49/48/52/491494852.db2.gz NCFMSUWIMAISSK-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000559747228 491495580 /nfs/dbraw/zinc/49/55/80/491495580.db2.gz VHDRNFHUNOBVQW-UKRRQHHQSA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000559747228 491495582 /nfs/dbraw/zinc/49/55/82/491495582.db2.gz VHDRNFHUNOBVQW-UKRRQHHQSA-N 2 1 350.488 0.820 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000567368994 491502380 /nfs/dbraw/zinc/50/23/80/491502380.db2.gz NSUWCMXVHCPQQS-QXSJWSMHSA-N 2 1 365.522 0.696 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585404 491506705 /nfs/dbraw/zinc/50/67/05/491506705.db2.gz VLJANOFPMLVLKD-KURKYZTESA-N 2 1 356.470 0.812 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000567455378 491507256 /nfs/dbraw/zinc/50/72/56/491507256.db2.gz JRDUSCAHYPHHDW-UONOGXRCSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000567455378 491507258 /nfs/dbraw/zinc/50/72/58/491507258.db2.gz JRDUSCAHYPHHDW-UONOGXRCSA-N 2 1 364.515 0.808 20 0 FCADMP CCC[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000574640887 491509892 /nfs/dbraw/zinc/50/98/92/491509892.db2.gz OGGMEASAMXBJJY-KRWDZBQOSA-N 2 1 363.506 0.921 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000560026995 491516777 /nfs/dbraw/zinc/51/67/77/491516777.db2.gz YTGXVIXHGCXICH-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC(=O)N(C)C3=O)CC2)CC1 ZINC000567626702 491519177 /nfs/dbraw/zinc/51/91/77/491519177.db2.gz USQOQSFTMOTPOF-HNNXBMFYSA-N 2 1 350.463 0.056 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567642752 491520274 /nfs/dbraw/zinc/52/02/74/491520274.db2.gz YZWBATSEBODUHD-ZMSDIMECSA-N 2 1 366.531 0.920 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567642749 491520355 /nfs/dbraw/zinc/52/03/55/491520355.db2.gz YZWBATSEBODUHD-BFYDXBDKSA-N 2 1 366.531 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660387445 493348151 /nfs/dbraw/zinc/34/81/51/493348151.db2.gz DREWHXNXTSDIBP-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660387445 493348153 /nfs/dbraw/zinc/34/81/53/493348153.db2.gz DREWHXNXTSDIBP-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660387445 493348154 /nfs/dbraw/zinc/34/81/54/493348154.db2.gz DREWHXNXTSDIBP-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660387445 493348155 /nfs/dbraw/zinc/34/81/55/493348155.db2.gz DREWHXNXTSDIBP-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574910914 491527309 /nfs/dbraw/zinc/52/73/09/491527309.db2.gz BFRHLRBDSKAWAK-KSZLIROESA-N 2 1 362.518 0.920 20 0 FCADMP COC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000574917585 491527486 /nfs/dbraw/zinc/52/74/86/491527486.db2.gz INTSXGXMJGSWHT-UHFFFAOYSA-N 2 1 360.502 0.865 20 0 FCADMP COC[C@@]1(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000567836329 491533476 /nfs/dbraw/zinc/53/34/76/491533476.db2.gz SBAUHVVWLSFQDH-QUCCMNQESA-N 2 1 360.502 0.860 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000567908061 491540409 /nfs/dbraw/zinc/54/04/09/491540409.db2.gz QVKWFSKJEOKUBF-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000567908059 491540439 /nfs/dbraw/zinc/54/04/39/491540439.db2.gz QVKWFSKJEOKUBF-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916290 491541229 /nfs/dbraw/zinc/54/12/29/491541229.db2.gz POMYLPVTPLPJHJ-SJORKVTESA-N 2 1 372.469 0.335 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916290 491541231 /nfs/dbraw/zinc/54/12/31/491541231.db2.gz POMYLPVTPLPJHJ-SJORKVTESA-N 2 1 372.469 0.335 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596232 491546594 /nfs/dbraw/zinc/54/65/94/491546594.db2.gz LRTVFGLTRCEACS-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000560666161 491551680 /nfs/dbraw/zinc/55/16/80/491551680.db2.gz GWPVJBBFXXYLLI-OAHLLOKOSA-N 2 1 362.449 0.856 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@]1(O)C[NH+]3CCC1CC3)n2C ZINC000568213161 491559914 /nfs/dbraw/zinc/55/99/14/491559914.db2.gz USNLABANSZXVJE-SFHVURJKSA-N 2 1 358.446 0.221 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884328 491561273 /nfs/dbraw/zinc/56/12/73/491561273.db2.gz MGRUPERXTNRQSJ-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884328 491561275 /nfs/dbraw/zinc/56/12/75/491561275.db2.gz MGRUPERXTNRQSJ-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000575812821 491562555 /nfs/dbraw/zinc/56/25/55/491562555.db2.gz SLLJVTWDXHXFEJ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295696 491568001 /nfs/dbraw/zinc/56/80/01/491568001.db2.gz LUFXNSQDHACJEI-OKZBNKHCSA-N 2 1 371.485 0.604 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000568309870 491568766 /nfs/dbraw/zinc/56/87/66/491568766.db2.gz YMIVXJNFEDVXFH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000568309870 491568768 /nfs/dbraw/zinc/56/87/68/491568768.db2.gz YMIVXJNFEDVXFH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000568309870 491568771 /nfs/dbraw/zinc/56/87/71/491568771.db2.gz YMIVXJNFEDVXFH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000568309869 491568847 /nfs/dbraw/zinc/56/88/47/491568847.db2.gz YMIVXJNFEDVXFH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000568309869 491568849 /nfs/dbraw/zinc/56/88/49/491568849.db2.gz YMIVXJNFEDVXFH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000568309869 491568851 /nfs/dbraw/zinc/56/88/51/491568851.db2.gz YMIVXJNFEDVXFH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCc1ccccc1NC(=O)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000568399407 491574673 /nfs/dbraw/zinc/57/46/73/491574673.db2.gz MYCGGDRBXYLTAE-UHFFFAOYSA-N 2 1 359.518 0.710 20 0 FCADMP C[C@@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000568490614 491580212 /nfs/dbraw/zinc/58/02/12/491580212.db2.gz IVXZAUQPJDNRAY-INIZCTEOSA-N 2 1 361.490 0.628 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000568501511 491580942 /nfs/dbraw/zinc/58/09/42/491580942.db2.gz PBNBKMJSSDLTEI-YOEHRIQHSA-N 2 1 358.442 0.938 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000561239513 491588047 /nfs/dbraw/zinc/58/80/47/491588047.db2.gz FBARSMXYSYUQFW-OKILXGFUSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000561239513 491588051 /nfs/dbraw/zinc/58/80/51/491588051.db2.gz FBARSMXYSYUQFW-OKILXGFUSA-N 2 1 354.495 0.106 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561267219 491591524 /nfs/dbraw/zinc/59/15/24/491591524.db2.gz DCFOSIYJMGMWBY-OAHLLOKOSA-N 2 1 352.866 0.929 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000577122841 491593049 /nfs/dbraw/zinc/59/30/49/491593049.db2.gz YTNWDIJJFGVRJX-PMACEKPBSA-N 2 1 374.529 0.636 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470517 491594826 /nfs/dbraw/zinc/59/48/26/491594826.db2.gz IWVGKWAZPROMDL-GHMZBOCLSA-N 2 1 366.384 0.450 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470517 491594831 /nfs/dbraw/zinc/59/48/31/491594831.db2.gz IWVGKWAZPROMDL-GHMZBOCLSA-N 2 1 366.384 0.450 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000577163569 491597062 /nfs/dbraw/zinc/59/70/62/491597062.db2.gz BXGSOWFNMCXCGE-IYBDPMFKSA-N 2 1 361.465 0.809 20 0 FCADMP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000576253837 491597974 /nfs/dbraw/zinc/59/79/74/491597974.db2.gz FVKURDORDFCPJH-ZDUSSCGKSA-N 2 1 365.503 0.226 20 0 FCADMP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000576253837 491597976 /nfs/dbraw/zinc/59/79/76/491597976.db2.gz FVKURDORDFCPJH-ZDUSSCGKSA-N 2 1 365.503 0.226 20 0 FCADMP CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188283 491599629 /nfs/dbraw/zinc/59/96/29/491599629.db2.gz CCACHORQUXTTGZ-GJZGRUSLSA-N 2 1 363.462 0.722 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540964 491602033 /nfs/dbraw/zinc/60/20/33/491602033.db2.gz RHKSVBJRSKQGDG-BPQIPLTHSA-N 2 1 374.460 0.808 20 0 FCADMP [NH3+]C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1 ZINC000577208455 491602307 /nfs/dbraw/zinc/60/23/07/491602307.db2.gz IFSHZGYCTSWHMM-INIZCTEOSA-N 2 1 354.495 0.685 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673662168 493354443 /nfs/dbraw/zinc/35/44/43/493354443.db2.gz MMMGKPLOLDQRQT-SBHAEUEKSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673662168 493354445 /nfs/dbraw/zinc/35/44/45/493354445.db2.gz MMMGKPLOLDQRQT-SBHAEUEKSA-N 2 1 373.497 0.681 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000568738658 491604970 /nfs/dbraw/zinc/60/49/70/491604970.db2.gz IGPOOWFSBBBDTC-LJQANCHMSA-N 2 1 367.538 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000568738658 491604973 /nfs/dbraw/zinc/60/49/73/491604973.db2.gz IGPOOWFSBBBDTC-LJQANCHMSA-N 2 1 367.538 0.962 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561426765 491607889 /nfs/dbraw/zinc/60/78/89/491607889.db2.gz ZJTMKHRDBBMHPX-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000569025147 491628200 /nfs/dbraw/zinc/62/82/00/491628200.db2.gz BWWFBTIEHZROJA-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000576626617 491631031 /nfs/dbraw/zinc/63/10/31/491631031.db2.gz AKZGQXSBPMVDIW-HZPDHXFCSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000576626617 491631033 /nfs/dbraw/zinc/63/10/33/491631033.db2.gz AKZGQXSBPMVDIW-HZPDHXFCSA-N 2 1 354.495 0.143 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000576695587 491636765 /nfs/dbraw/zinc/63/67/65/491636765.db2.gz OJFFSAGZAILQLI-UIBIWLFHSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968642 491642958 /nfs/dbraw/zinc/64/29/58/491642958.db2.gz OFXKXMWQIDJLPZ-GOEBONIOSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968642 491642963 /nfs/dbraw/zinc/64/29/63/491642963.db2.gz OFXKXMWQIDJLPZ-GOEBONIOSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968642 491642964 /nfs/dbraw/zinc/64/29/64/491642964.db2.gz OFXKXMWQIDJLPZ-GOEBONIOSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968643 491643392 /nfs/dbraw/zinc/64/33/92/491643392.db2.gz OFXKXMWQIDJLPZ-HOCLYGCPSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968643 491643397 /nfs/dbraw/zinc/64/33/97/491643397.db2.gz OFXKXMWQIDJLPZ-HOCLYGCPSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968643 491643400 /nfs/dbraw/zinc/64/34/00/491643400.db2.gz OFXKXMWQIDJLPZ-HOCLYGCPSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000576787466 491644808 /nfs/dbraw/zinc/64/48/08/491644808.db2.gz ZZSPEQDHIYPRGH-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000561997895 491645146 /nfs/dbraw/zinc/64/51/46/491645146.db2.gz XROVUMXUPSVTTI-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997895 491645150 /nfs/dbraw/zinc/64/51/50/491645150.db2.gz XROVUMXUPSVTTI-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997895 491645154 /nfs/dbraw/zinc/64/51/54/491645154.db2.gz XROVUMXUPSVTTI-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001719 491646049 /nfs/dbraw/zinc/64/60/49/491646049.db2.gz OOSDDZPSSASEEV-GJZGRUSLSA-N 2 1 350.463 0.769 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000577747435 491648570 /nfs/dbraw/zinc/64/85/70/491648570.db2.gz YEHXYFJRGBXFGP-IRXDYDNUSA-N 2 1 366.531 0.982 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000569349552 491655016 /nfs/dbraw/zinc/65/50/16/491655016.db2.gz LXCARGFMOKBEDS-LJQANCHMSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000577955747 491665724 /nfs/dbraw/zinc/66/57/24/491665724.db2.gz GREGELHLQLWFTJ-AEFFLSMTSA-N 2 1 352.523 0.805 20 0 FCADMP COCCOc1cccc(CNC(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000578022919 491668122 /nfs/dbraw/zinc/66/81/22/491668122.db2.gz ITFCNVMWLVWISU-UHFFFAOYSA-N 2 1 373.457 0.873 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578324700 491674644 /nfs/dbraw/zinc/67/46/44/491674644.db2.gz SMOVPBOCFCQJRC-LESCRADOSA-N 2 1 374.485 0.802 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000578731110 491683061 /nfs/dbraw/zinc/68/30/61/491683061.db2.gz CGBZZKHLUSEOIK-UHFFFAOYSA-N 2 1 356.426 0.616 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000578731110 491683062 /nfs/dbraw/zinc/68/30/62/491683062.db2.gz CGBZZKHLUSEOIK-UHFFFAOYSA-N 2 1 356.426 0.616 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043266 491689881 /nfs/dbraw/zinc/68/98/81/491689881.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000579043266 491689882 /nfs/dbraw/zinc/68/98/82/491689882.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000579043266 491689883 /nfs/dbraw/zinc/68/98/83/491689883.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 2 1 368.566 0.291 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000579308737 491695010 /nfs/dbraw/zinc/69/50/10/491695010.db2.gz YMMMNJWPRPNBGA-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000579456239 491698098 /nfs/dbraw/zinc/69/80/98/491698098.db2.gz HGVLIZSEQOBKRY-HUUCEWRRSA-N 2 1 364.494 0.461 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](OC)C[NH2+]3)C2)cc(OC)c1 ZINC000579470308 491698531 /nfs/dbraw/zinc/69/85/31/491698531.db2.gz FDBPQVAANULDPH-JCGIZDLHSA-N 2 1 363.458 0.771 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](OC)C[NH2+]3)C2)cc(OC)c1 ZINC000579470308 491698532 /nfs/dbraw/zinc/69/85/32/491698532.db2.gz FDBPQVAANULDPH-JCGIZDLHSA-N 2 1 363.458 0.771 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000579619563 491702039 /nfs/dbraw/zinc/70/20/39/491702039.db2.gz UUKNXUKFYCBAEP-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000579619563 491702040 /nfs/dbraw/zinc/70/20/40/491702040.db2.gz UUKNXUKFYCBAEP-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000579619563 491702041 /nfs/dbraw/zinc/70/20/41/491702041.db2.gz UUKNXUKFYCBAEP-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579690631 491702961 /nfs/dbraw/zinc/70/29/61/491702961.db2.gz VAJGUWAACFYKSM-HUUCEWRRSA-N 2 1 351.495 0.370 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000579945087 491710468 /nfs/dbraw/zinc/71/04/68/491710468.db2.gz LNEAPPVFLCDBDY-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000579945087 491710470 /nfs/dbraw/zinc/71/04/70/491710470.db2.gz LNEAPPVFLCDBDY-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC000584736165 491712247 /nfs/dbraw/zinc/71/22/47/491712247.db2.gz WNCNJMGZXJSTCK-SFHVURJKSA-N 2 1 370.563 0.873 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000580006183 491713540 /nfs/dbraw/zinc/71/35/40/491713540.db2.gz OOODIOQGGBMAOA-JKSUJKDBSA-N 2 1 350.507 0.991 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000668487136 493361941 /nfs/dbraw/zinc/36/19/41/493361941.db2.gz VPBGTKFDNOAGLO-SFHVURJKSA-N 2 1 373.501 0.763 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[NH+](C)CC1)C2 ZINC000584859394 491717601 /nfs/dbraw/zinc/71/76/01/491717601.db2.gz JCGHLGPUYQLOTP-MQVJKMGUSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[N@H+](C)CC1)C2 ZINC000584859394 491717602 /nfs/dbraw/zinc/71/76/02/491717602.db2.gz JCGHLGPUYQLOTP-MQVJKMGUSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[N@@H+](C)CC1)C2 ZINC000584859394 491717603 /nfs/dbraw/zinc/71/76/03/491717603.db2.gz JCGHLGPUYQLOTP-MQVJKMGUSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000580530963 491734610 /nfs/dbraw/zinc/73/46/10/491734610.db2.gz JYCUOWBBOCOZOW-MAUKXSAKSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100177 491734672 /nfs/dbraw/zinc/73/46/72/491734672.db2.gz WBPPURCXGMENPL-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100177 491734673 /nfs/dbraw/zinc/73/46/73/491734673.db2.gz WBPPURCXGMENPL-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100177 491734675 /nfs/dbraw/zinc/73/46/75/491734675.db2.gz WBPPURCXGMENPL-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542702 493360185 /nfs/dbraw/zinc/36/01/85/493360185.db2.gz FZBHJTSHILQDCJ-FUHWJXTLSA-N 2 1 371.485 0.673 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000581005890 491755272 /nfs/dbraw/zinc/75/52/72/491755272.db2.gz ZIPTYHDCNYJXME-LJQANCHMSA-N 2 1 357.458 0.251 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542699 493360512 /nfs/dbraw/zinc/36/05/12/493360512.db2.gz FZBHJTSHILQDCJ-AEFFLSMTSA-N 2 1 371.485 0.673 20 0 FCADMP Cc1cc(N2CCC(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000581189564 491763092 /nfs/dbraw/zinc/76/30/92/491763092.db2.gz XTBZVURENFPWGN-OAHLLOKOSA-N 2 1 360.462 0.047 20 0 FCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581360534 491769592 /nfs/dbraw/zinc/76/95/92/491769592.db2.gz LCPOEQPJOGAMDO-GDBMZVCRSA-N 2 1 360.458 0.764 20 0 FCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581360534 491769593 /nfs/dbraw/zinc/76/95/93/491769593.db2.gz LCPOEQPJOGAMDO-GDBMZVCRSA-N 2 1 360.458 0.764 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582063060 491796389 /nfs/dbraw/zinc/79/63/89/491796389.db2.gz NSMDFTJIKVTCCJ-CHWSQXEVSA-N 2 1 352.460 0.204 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582063060 491796391 /nfs/dbraw/zinc/79/63/91/491796391.db2.gz NSMDFTJIKVTCCJ-CHWSQXEVSA-N 2 1 352.460 0.204 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)S(C)(=O)=O ZINC000582122847 491799083 /nfs/dbraw/zinc/79/90/83/491799083.db2.gz GVTQKLFVFAVPKU-XHSDSOJGSA-N 2 1 374.551 0.222 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591357416 491803941 /nfs/dbraw/zinc/80/39/41/491803941.db2.gz VEWHBUGSQBAVTQ-KRWDZBQOSA-N 2 1 363.458 0.881 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591357416 491803943 /nfs/dbraw/zinc/80/39/43/491803943.db2.gz VEWHBUGSQBAVTQ-KRWDZBQOSA-N 2 1 363.458 0.881 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000591413910 491805039 /nfs/dbraw/zinc/80/50/39/491805039.db2.gz ZIOWILHYSGQHJB-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000591413910 491805040 /nfs/dbraw/zinc/80/50/40/491805040.db2.gz ZIOWILHYSGQHJB-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000591413910 491805042 /nfs/dbraw/zinc/80/50/42/491805042.db2.gz ZIOWILHYSGQHJB-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000591586489 491809573 /nfs/dbraw/zinc/80/95/73/491809573.db2.gz MGCLHJUCZBEZOG-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000582492922 491814841 /nfs/dbraw/zinc/81/48/41/491814841.db2.gz VDHPRCMXKSAHFU-UHFFFAOYSA-N 2 1 360.458 0.781 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668813 491821779 /nfs/dbraw/zinc/82/17/79/491821779.db2.gz MFMRLMFENJMCCJ-HDEZJCGLSA-N 2 1 363.506 0.606 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)c3conc3C(C)(C)[NH3+])CC2)cc[nH+]1 ZINC000582678035 491822369 /nfs/dbraw/zinc/82/23/69/491822369.db2.gz ZSPNHUJPGGLRJZ-UHFFFAOYSA-N 2 1 359.434 0.687 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000582834530 491828574 /nfs/dbraw/zinc/82/85/74/491828574.db2.gz MIMRFLYKQOCGKX-HUUCEWRRSA-N 2 1 367.519 0.324 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253362 491840928 /nfs/dbraw/zinc/84/09/28/491840928.db2.gz QOZMQHSSSYHGMH-KBPBESRZSA-N 2 1 354.495 0.548 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)c2cccs2)CC1 ZINC000583259629 491840972 /nfs/dbraw/zinc/84/09/72/491840972.db2.gz IVWWGHUSICVUHR-JKSUJKDBSA-N 2 1 366.531 0.921 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000583257353 491840992 /nfs/dbraw/zinc/84/09/92/491840992.db2.gz BRAOBKQPNPGQGF-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CCCC[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000673841050 493366259 /nfs/dbraw/zinc/36/62/59/493366259.db2.gz RGEBWARZKRDQQE-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CSC1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000583414452 491844468 /nfs/dbraw/zinc/84/44/68/491844468.db2.gz DIWODPOWAKBLKK-UHFFFAOYSA-N 2 1 371.551 0.277 20 0 FCADMP CC1CC[NH+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000583549817 491847127 /nfs/dbraw/zinc/84/71/27/491847127.db2.gz HSJKUBMPMQBIID-UHFFFAOYSA-N 2 1 368.522 0.899 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626836 491848958 /nfs/dbraw/zinc/84/89/58/491848958.db2.gz NGMMNGTXCQIPHI-DZGCQCFKSA-N 2 1 373.544 0.803 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626836 491848959 /nfs/dbraw/zinc/84/89/59/491848959.db2.gz NGMMNGTXCQIPHI-DZGCQCFKSA-N 2 1 373.544 0.803 20 0 FCADMP CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000583761007 491851471 /nfs/dbraw/zinc/85/14/71/491851471.db2.gz CMJGBQWTVGEPQI-HZPDHXFCSA-N 2 1 353.507 0.887 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000583806719 491852371 /nfs/dbraw/zinc/85/23/71/491852371.db2.gz VEQIFZZNLVEIBW-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000583859059 491853407 /nfs/dbraw/zinc/85/34/07/491853407.db2.gz YYFYWWZLIIXDJM-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000583897952 491854441 /nfs/dbraw/zinc/85/44/41/491854441.db2.gz TUOPTAJAVCRRRS-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929743 491854801 /nfs/dbraw/zinc/85/48/01/491854801.db2.gz AVHXONZQQARZJH-WMLDXEAASA-N 2 1 367.515 0.907 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929743 491854802 /nfs/dbraw/zinc/85/48/02/491854802.db2.gz AVHXONZQQARZJH-WMLDXEAASA-N 2 1 367.515 0.907 20 0 FCADMP CO[C@H](C[NH3+])C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000584050009 491857244 /nfs/dbraw/zinc/85/72/44/491857244.db2.gz FCOLZFDMTNBIED-GOSISDBHSA-N 2 1 365.474 0.766 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000584226086 491861035 /nfs/dbraw/zinc/86/10/35/491861035.db2.gz LIVHOLUZMWYDLR-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCN(c2ncccn2)CC1 ZINC000584295352 491862554 /nfs/dbraw/zinc/86/25/54/491862554.db2.gz ZTDLHAYRKUBPQS-IBGZPJMESA-N 2 1 358.490 0.591 20 0 FCADMP Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000595264398 491909307 /nfs/dbraw/zinc/90/93/07/491909307.db2.gz MVKYMUSIMDJKAF-HOTGVXAUSA-N 2 1 372.473 0.444 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000612551760 491933857 /nfs/dbraw/zinc/93/38/57/491933857.db2.gz JPAMBEPCBSCEQO-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@]1(NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878749 491956520 /nfs/dbraw/zinc/95/65/20/491956520.db2.gz MNVJQSVKHYWGPA-XLIONFOSSA-N 2 1 373.501 0.935 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000595970065 491967022 /nfs/dbraw/zinc/96/70/22/491967022.db2.gz JPURNYFPXVNKPT-BZZMCLGOSA-N 2 1 372.469 0.046 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000595970065 491967024 /nfs/dbraw/zinc/96/70/24/491967024.db2.gz JPURNYFPXVNKPT-BZZMCLGOSA-N 2 1 372.469 0.046 20 0 FCADMP C[N@H+](CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000602486108 491989180 /nfs/dbraw/zinc/98/91/80/491989180.db2.gz OYJFMYJYIFEGEZ-DEOSSOPVSA-N 2 1 355.479 0.874 20 0 FCADMP C[N@@H+](CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000602486108 491989182 /nfs/dbraw/zinc/98/91/82/491989182.db2.gz OYJFMYJYIFEGEZ-DEOSSOPVSA-N 2 1 355.479 0.874 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967151 492007593 /nfs/dbraw/zinc/00/75/93/492007593.db2.gz SOHBIMPCQQNSLQ-JYJNAYRXSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(OC)c1 ZINC000603844285 492043129 /nfs/dbraw/zinc/04/31/29/492043129.db2.gz JZCCMMDTNBTGQZ-RBSFLKMASA-N 2 1 350.415 0.373 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000603968786 492048156 /nfs/dbraw/zinc/04/81/56/492048156.db2.gz SLHBAHXSJIJUTC-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000604166423 492052485 /nfs/dbraw/zinc/05/24/85/492052485.db2.gz UEVRUKLUUYRQQH-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC000614866453 492061703 /nfs/dbraw/zinc/06/17/03/492061703.db2.gz WYFYQZDMXLOLHH-KRWDZBQOSA-N 2 1 372.469 0.767 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000614866453 492061705 /nfs/dbraw/zinc/06/17/05/492061705.db2.gz WYFYQZDMXLOLHH-KRWDZBQOSA-N 2 1 372.469 0.767 20 0 FCADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC000614866453 492061707 /nfs/dbraw/zinc/06/17/07/492061707.db2.gz WYFYQZDMXLOLHH-KRWDZBQOSA-N 2 1 372.469 0.767 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646634 492066272 /nfs/dbraw/zinc/06/62/72/492066272.db2.gz CRQPPDOAWMVGOJ-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604646634 492066274 /nfs/dbraw/zinc/06/62/74/492066274.db2.gz CRQPPDOAWMVGOJ-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604646634 492066276 /nfs/dbraw/zinc/06/62/76/492066276.db2.gz CRQPPDOAWMVGOJ-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604654908 492066452 /nfs/dbraw/zinc/06/64/52/492066452.db2.gz WHHHCKSVALBYIO-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604654908 492066454 /nfs/dbraw/zinc/06/64/54/492066454.db2.gz WHHHCKSVALBYIO-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604654908 492066456 /nfs/dbraw/zinc/06/64/56/492066456.db2.gz WHHHCKSVALBYIO-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983455 492067354 /nfs/dbraw/zinc/06/73/54/492067354.db2.gz FQWPTXUNIYJCQI-HLTONANMSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983455 492067355 /nfs/dbraw/zinc/06/73/55/492067355.db2.gz FQWPTXUNIYJCQI-HLTONANMSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983455 492067357 /nfs/dbraw/zinc/06/73/57/492067357.db2.gz FQWPTXUNIYJCQI-HLTONANMSA-N 2 1 350.507 0.774 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880725 492104754 /nfs/dbraw/zinc/10/47/54/492104754.db2.gz MIGPFXYRMVJOMU-XHSDSOJGSA-N 2 1 356.511 0.894 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880725 492104755 /nfs/dbraw/zinc/10/47/55/492104755.db2.gz MIGPFXYRMVJOMU-XHSDSOJGSA-N 2 1 356.511 0.894 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880725 492104757 /nfs/dbraw/zinc/10/47/57/492104757.db2.gz MIGPFXYRMVJOMU-XHSDSOJGSA-N 2 1 356.511 0.894 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000605880725 492104758 /nfs/dbraw/zinc/10/47/58/492104758.db2.gz MIGPFXYRMVJOMU-XHSDSOJGSA-N 2 1 356.511 0.894 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000607721406 492150106 /nfs/dbraw/zinc/15/01/06/492150106.db2.gz ICEXZJDFVXQXAD-HNNXBMFYSA-N 2 1 350.467 0.773 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000599356064 492164118 /nfs/dbraw/zinc/16/41/18/492164118.db2.gz UQJVXIBWJRCQIJ-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)NC[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000599356064 492164120 /nfs/dbraw/zinc/16/41/20/492164120.db2.gz UQJVXIBWJRCQIJ-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)NC[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000599356064 492164121 /nfs/dbraw/zinc/16/41/21/492164121.db2.gz UQJVXIBWJRCQIJ-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687413 492186548 /nfs/dbraw/zinc/18/65/48/492186548.db2.gz KKKPXKXKVCMDQW-SFHVURJKSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC000617753038 492189203 /nfs/dbraw/zinc/18/92/03/492189203.db2.gz ZOQLZIQOARGDMA-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627468834 492308033 /nfs/dbraw/zinc/30/80/33/492308033.db2.gz FJYHQQUTXCTWBR-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1(C)C ZINC000641825844 492311017 /nfs/dbraw/zinc/31/10/17/492311017.db2.gz XGWJLFFOBAVGPJ-JKSUJKDBSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1(C)C ZINC000641825844 492311020 /nfs/dbraw/zinc/31/10/20/492311020.db2.gz XGWJLFFOBAVGPJ-JKSUJKDBSA-N 2 1 366.506 0.284 20 0 FCADMP CN(Cc1c[nH]cn1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841843 492318174 /nfs/dbraw/zinc/31/81/74/492318174.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 1 350.467 0.348 20 0 FCADMP CN(Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841843 492318175 /nfs/dbraw/zinc/31/81/75/492318175.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 1 350.467 0.348 20 0 FCADMP CC[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000634226732 492327859 /nfs/dbraw/zinc/32/78/59/492327859.db2.gz CQVROADSMZURJA-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000642083306 492332064 /nfs/dbraw/zinc/33/20/64/492332064.db2.gz UYTAOZAZHBQATB-OFQRWUPVSA-N 2 1 364.446 0.107 20 0 FCADMP [NH3+]Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000647607305 492334127 /nfs/dbraw/zinc/33/41/27/492334127.db2.gz HWORVZUVUOWWSP-KRWDZBQOSA-N 2 1 360.458 0.797 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195163 492340160 /nfs/dbraw/zinc/34/01/60/492340160.db2.gz BSWLJZKXCISICI-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642253637 492345256 /nfs/dbraw/zinc/34/52/56/492345256.db2.gz CHIUPFVOHPITNH-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000642332326 492352270 /nfs/dbraw/zinc/35/22/70/492352270.db2.gz CDQOLGPZGVBVTB-LAQRGFTBSA-N 2 1 374.485 0.513 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000642346542 492353356 /nfs/dbraw/zinc/35/33/56/492353356.db2.gz RBVZRGOTEWAEKY-IKGGRYGDSA-N 2 1 368.522 0.498 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642550348 492363346 /nfs/dbraw/zinc/36/33/46/492363346.db2.gz AMASLAZCYGKHFV-QYZOEREBSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642550346 492363418 /nfs/dbraw/zinc/36/34/18/492363418.db2.gz AMASLAZCYGKHFV-FHWLQOOXSA-N 2 1 370.497 0.978 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000642640687 492368079 /nfs/dbraw/zinc/36/80/79/492368079.db2.gz ISOVKRBOMSCCRY-CADBVGFASA-N 2 1 370.497 0.963 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647834969 492368415 /nfs/dbraw/zinc/36/84/15/492368415.db2.gz HMEMDBXMTHLASM-UHFFFAOYSA-N 2 1 370.519 0.153 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642693147 492373972 /nfs/dbraw/zinc/37/39/72/492373972.db2.gz XUKXCKPNMNJBTN-OAHLLOKOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000642693147 492373977 /nfs/dbraw/zinc/37/39/77/492373977.db2.gz XUKXCKPNMNJBTN-OAHLLOKOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642693141 492374078 /nfs/dbraw/zinc/37/40/78/492374078.db2.gz XNUYJQRSNNGOIA-YJBOKZPZSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000642693141 492374084 /nfs/dbraw/zinc/37/40/84/492374084.db2.gz XNUYJQRSNNGOIA-YJBOKZPZSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000642693001 492374624 /nfs/dbraw/zinc/37/46/24/492374624.db2.gz JCYYGXFNZLWUGO-AYBZRNKSSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000642693001 492374625 /nfs/dbraw/zinc/37/46/25/492374625.db2.gz JCYYGXFNZLWUGO-AYBZRNKSSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000642693004 492374668 /nfs/dbraw/zinc/37/46/68/492374668.db2.gz JCYYGXFNZLWUGO-SZVBFZGTSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000642693004 492374669 /nfs/dbraw/zinc/37/46/69/492374669.db2.gz JCYYGXFNZLWUGO-SZVBFZGTSA-N 2 1 370.497 0.760 20 0 FCADMP COc1ccccc1C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000647874794 492375330 /nfs/dbraw/zinc/37/53/30/492375330.db2.gz YYWLITBOETXEMR-UHFFFAOYSA-N 2 1 360.458 0.275 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000642732175 492383134 /nfs/dbraw/zinc/38/31/34/492383134.db2.gz RWDFJJRKVLNFLG-GOEBONIOSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744947 492385020 /nfs/dbraw/zinc/38/50/20/492385020.db2.gz RIZNKTLTXLPIMN-RYQLBKOJSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744947 492385026 /nfs/dbraw/zinc/38/50/26/492385026.db2.gz RIZNKTLTXLPIMN-RYQLBKOJSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642756710 492386299 /nfs/dbraw/zinc/38/62/99/492386299.db2.gz ZJGGVIZHSWINGA-RYQLBKOJSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642759508 492386994 /nfs/dbraw/zinc/38/69/94/492386994.db2.gz FVLRZRLXIMNJEP-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756644 492387127 /nfs/dbraw/zinc/38/71/27/492387127.db2.gz CXBSUFKPSIPVBX-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(N2CCCC2)[nH+]1 ZINC000642778906 492388827 /nfs/dbraw/zinc/38/88/27/492388827.db2.gz PROXWKVCYLLAAM-SJORKVTESA-N 2 1 371.485 0.959 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000642778698 492389523 /nfs/dbraw/zinc/38/95/23/492389523.db2.gz DEBMXSPCGRARMX-HOTGVXAUSA-N 2 1 359.474 0.993 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975912 492389643 /nfs/dbraw/zinc/38/96/43/492389643.db2.gz HNFKQVNCVBWULR-SZMVWBNQSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)C(=O)[C@H]3C)CC2)CC1 ZINC000655009820 492391328 /nfs/dbraw/zinc/39/13/28/492391328.db2.gz ZKJGKHFXYJRUHK-OAHLLOKOSA-N 2 1 350.507 0.872 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1ccccc1F ZINC000642785705 492392063 /nfs/dbraw/zinc/39/20/63/492392063.db2.gz DTKSVHSVCRXCCP-UWWQBHOKSA-N 2 1 374.460 0.679 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC000655018915 492392420 /nfs/dbraw/zinc/39/24/20/492392420.db2.gz LWZRIWOGZKRUAL-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887404 492397367 /nfs/dbraw/zinc/39/73/67/492397367.db2.gz SZJGHUCNVLBFKR-RANZSIQMSA-N 2 1 374.460 0.822 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896485 492398203 /nfs/dbraw/zinc/39/82/03/492398203.db2.gz POTJQTFNWVXXJL-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000642902137 492399377 /nfs/dbraw/zinc/39/93/77/492399377.db2.gz LCFKLKGPOQSBTC-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903225 492400148 /nfs/dbraw/zinc/40/01/48/492400148.db2.gz FKVQRIOMLQUVBM-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000642908456 492401281 /nfs/dbraw/zinc/40/12/81/492401281.db2.gz SDGQBZRGMIOJOD-INIZCTEOSA-N 2 1 358.486 0.965 20 0 FCADMP CC1(CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000642972206 492409432 /nfs/dbraw/zinc/40/94/32/492409432.db2.gz YGFVXICNARTYOE-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984285 492411174 /nfs/dbraw/zinc/41/11/74/492411174.db2.gz BXICLCQMLURPPB-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642993886 492412652 /nfs/dbraw/zinc/41/26/52/492412652.db2.gz QQRAAYFRESPBJV-CQSZACIVSA-N 2 1 354.401 0.430 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642993886 492412656 /nfs/dbraw/zinc/41/26/56/492412656.db2.gz QQRAAYFRESPBJV-CQSZACIVSA-N 2 1 354.401 0.430 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000643014563 492414668 /nfs/dbraw/zinc/41/46/68/492414668.db2.gz FVPVWZQOFYMXKD-GVDBMIGSSA-N 2 1 371.485 0.543 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621838587 492421336 /nfs/dbraw/zinc/42/13/36/492421336.db2.gz GGSYZFBOOLFZQD-POORBHPNSA-N 2 1 350.507 0.809 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621838777 492422252 /nfs/dbraw/zinc/42/22/52/492422252.db2.gz JDJOICSSXUHRJX-CLCXKQKWSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000621840196 492422882 /nfs/dbraw/zinc/42/28/82/492422882.db2.gz FFTLSRRYNLGBNE-FPDPHYFHSA-N 2 1 370.497 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000621840196 492422886 /nfs/dbraw/zinc/42/28/86/492422886.db2.gz FFTLSRRYNLGBNE-FPDPHYFHSA-N 2 1 370.497 0.889 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000621843684 492424366 /nfs/dbraw/zinc/42/43/66/492424366.db2.gz JJSQXALKDKMZTF-OXJNMPFZSA-N 2 1 371.485 0.946 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000621843686 492424439 /nfs/dbraw/zinc/42/44/39/492424439.db2.gz JJSQXALKDKMZTF-UZLBHIALSA-N 2 1 371.485 0.946 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000635301076 492431001 /nfs/dbraw/zinc/43/10/01/492431001.db2.gz ZDGAKKXRZUUFCR-UHFFFAOYSA-N 2 1 362.518 0.875 20 0 FCADMP O[C@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643252652 492435806 /nfs/dbraw/zinc/43/58/06/492435806.db2.gz OTOFYHFAPQEUDA-LJQANCHMSA-N 2 1 357.458 0.747 20 0 FCADMP O[C@]1(Cn2ccnn2)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643252652 492435811 /nfs/dbraw/zinc/43/58/11/492435811.db2.gz OTOFYHFAPQEUDA-LJQANCHMSA-N 2 1 357.458 0.747 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000635487445 492457107 /nfs/dbraw/zinc/45/71/07/492457107.db2.gz OFCPKJPNRVOFNN-INIZCTEOSA-N 2 1 366.506 0.286 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000635483727 492457178 /nfs/dbraw/zinc/45/71/78/492457178.db2.gz BSCSGNUTGKSTDH-OAHLLOKOSA-N 2 1 354.495 0.048 20 0 FCADMP O=C(N1CCC([NH+]2CCOCC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000628125896 492472261 /nfs/dbraw/zinc/47/22/61/492472261.db2.gz SNVZUTWGURRLHQ-NRFANRHFSA-N 2 1 373.497 0.947 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000643481003 492477318 /nfs/dbraw/zinc/47/73/18/492477318.db2.gz XFTILKVROKMPII-CALCHBBNSA-N 2 1 358.486 0.930 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000643484576 492478401 /nfs/dbraw/zinc/47/84/01/492478401.db2.gz BYLAJBRGLNMCGG-QGZVFWFLSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)c1 ZINC000643492445 492480896 /nfs/dbraw/zinc/48/08/96/492480896.db2.gz UJCZXHJRAHKWSY-UHFFFAOYSA-N 2 1 371.485 0.641 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000643494215 492481995 /nfs/dbraw/zinc/48/19/95/492481995.db2.gz QTMRXSDRKJVNJC-QGZVFWFLSA-N 2 1 350.507 0.908 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H](C)O1 ZINC000643498054 492482319 /nfs/dbraw/zinc/48/23/19/492482319.db2.gz QPKOHFIXJWPLBU-BIVLZKPYSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643523862 492489892 /nfs/dbraw/zinc/48/98/92/492489892.db2.gz FBBLNBHPLWEHHE-OGWHTMIXSA-N 2 1 370.497 0.786 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643523862 492489894 /nfs/dbraw/zinc/48/98/94/492489894.db2.gz FBBLNBHPLWEHHE-OGWHTMIXSA-N 2 1 370.497 0.786 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643527866 492490753 /nfs/dbraw/zinc/49/07/53/492490753.db2.gz UJFDHTHALMTLQU-DOTOQJQBSA-N 2 1 372.469 0.970 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000643531887 492492090 /nfs/dbraw/zinc/49/20/90/492492090.db2.gz SRSJXPYXDWVKOG-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000643531859 492492195 /nfs/dbraw/zinc/49/21/95/492492195.db2.gz QOGBIBJHEZVKRJ-NUJGCVRESA-N 2 1 358.486 0.928 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643590210 492501397 /nfs/dbraw/zinc/50/13/97/492501397.db2.gz FOHDVAJEHXTZRL-FHWLQOOXSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643590210 492501402 /nfs/dbraw/zinc/50/14/02/492501402.db2.gz FOHDVAJEHXTZRL-FHWLQOOXSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)C1 ZINC000643590196 492501776 /nfs/dbraw/zinc/50/17/76/492501776.db2.gz DDHVKCJTLUZETE-FQEVSTJZSA-N 2 1 362.518 0.921 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000643592225 492502651 /nfs/dbraw/zinc/50/26/51/492502651.db2.gz JELSTSIQBAEBAM-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643594553 492503679 /nfs/dbraw/zinc/50/36/79/492503679.db2.gz PLMWLNKAWYCPLC-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C2)C1 ZINC000643593934 492503824 /nfs/dbraw/zinc/50/38/24/492503824.db2.gz JOJPSHCUVKZJEV-SQGPQFPESA-N 2 1 374.460 0.633 20 0 FCADMP COC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635835871 492513733 /nfs/dbraw/zinc/51/37/33/492513733.db2.gz YBFQSPDGNJCKNZ-JYJNAYRXSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635835871 492513736 /nfs/dbraw/zinc/51/37/36/492513736.db2.gz YBFQSPDGNJCKNZ-JYJNAYRXSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635835871 492513738 /nfs/dbraw/zinc/51/37/38/492513738.db2.gz YBFQSPDGNJCKNZ-JYJNAYRXSA-N 2 1 354.495 0.202 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649271467 492516587 /nfs/dbraw/zinc/51/65/87/492516587.db2.gz IIMDZBCNSXYSFL-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649271467 492516591 /nfs/dbraw/zinc/51/65/91/492516591.db2.gz IIMDZBCNSXYSFL-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP Cc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nnn1C1CC[NH2+]CC1 ZINC000649320936 492532044 /nfs/dbraw/zinc/53/20/44/492532044.db2.gz GGNLKEPNPUAOJV-HZPDHXFCSA-N 2 1 362.478 0.182 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)C[C@@H]1C ZINC000649340362 492538420 /nfs/dbraw/zinc/53/84/20/492538420.db2.gz UEDYAMQKRZKOFJ-QBYUYEEZSA-N 2 1 364.494 0.311 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)[C@H](C)C1 ZINC000649340837 492539293 /nfs/dbraw/zinc/53/92/93/492539293.db2.gz YQVZKCQIUQHWIK-YQFWSFKMSA-N 2 1 364.494 0.169 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649351708 492544625 /nfs/dbraw/zinc/54/46/25/492544625.db2.gz LDJLARWASIFPAA-ZDUSSCGKSA-N 3 1 356.434 0.212 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649350249 492544732 /nfs/dbraw/zinc/54/47/32/492544732.db2.gz UUMTWVWCFNSHCZ-AWEZNQCLSA-N 2 1 368.432 0.350 20 0 FCADMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649353578 492546743 /nfs/dbraw/zinc/54/67/43/492546743.db2.gz NCFUKLCUYRHMAE-OAHLLOKOSA-N 2 1 366.893 0.814 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649353581 492547298 /nfs/dbraw/zinc/54/72/98/492547298.db2.gz NQYOHINOLRXHIB-GOSISDBHSA-N 3 1 366.550 0.877 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354742 492547361 /nfs/dbraw/zinc/54/73/61/492547361.db2.gz IOUZZWZIPNHPFN-NVXWUHKLSA-N 2 1 371.485 0.999 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000649409781 492551308 /nfs/dbraw/zinc/55/13/08/492551308.db2.gz YKEFUIIFXADDTJ-GOSISDBHSA-N 2 1 359.518 0.466 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000649409781 492551312 /nfs/dbraw/zinc/55/13/12/492551312.db2.gz YKEFUIIFXADDTJ-GOSISDBHSA-N 2 1 359.518 0.466 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000649409654 492551475 /nfs/dbraw/zinc/55/14/75/492551475.db2.gz KCCGXPVRIULRJL-UHFFFAOYSA-N 2 1 359.518 0.168 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000649409654 492551478 /nfs/dbraw/zinc/55/14/78/492551478.db2.gz KCCGXPVRIULRJL-UHFFFAOYSA-N 2 1 359.518 0.168 20 0 FCADMP O=C([C@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1)N1CC[NH2+]CC1 ZINC000649409067 492551490 /nfs/dbraw/zinc/55/14/90/492551490.db2.gz JPUGNKMYKFHMKS-AWEZNQCLSA-N 2 1 356.430 0.775 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)C1)N1CC[NH2+]CC1 ZINC000649409067 492551493 /nfs/dbraw/zinc/55/14/93/492551493.db2.gz JPUGNKMYKFHMKS-AWEZNQCLSA-N 2 1 356.430 0.775 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)C1 ZINC000623636301 492575897 /nfs/dbraw/zinc/57/58/97/492575897.db2.gz KFTOFZFFHSILTN-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)C1 ZINC000623636301 492575900 /nfs/dbraw/zinc/57/59/00/492575900.db2.gz KFTOFZFFHSILTN-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636315181 492580133 /nfs/dbraw/zinc/58/01/33/492580133.db2.gz JGBLFDBXXPKWNS-SFHVURJKSA-N 2 1 358.486 0.741 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636315181 492580138 /nfs/dbraw/zinc/58/01/38/492580138.db2.gz JGBLFDBXXPKWNS-SFHVURJKSA-N 2 1 358.486 0.741 20 0 FCADMP COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)[NH+](C)C)c1 ZINC000636473404 492595108 /nfs/dbraw/zinc/59/51/08/492595108.db2.gz ZOSBGQBVUWYXFZ-RDJZCZTQSA-N 2 1 350.463 0.664 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCS(=O)(=O)NC)CC2)CC1 ZINC000629337230 492611954 /nfs/dbraw/zinc/61/19/54/492611954.db2.gz ULOYQEULFLXUKG-UHFFFAOYSA-N 2 1 374.551 0.238 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000636536443 492613210 /nfs/dbraw/zinc/61/32/10/492613210.db2.gz ICFSESIKFXYKPR-MRXNPFEDSA-N 2 1 350.463 0.493 20 0 FCADMP c1nnc2ccc(N3CC[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)C3)nn12 ZINC000624117743 492621608 /nfs/dbraw/zinc/62/16/08/492621608.db2.gz VTENEGLDBWFFSF-DLBZAZTESA-N 2 1 371.489 0.936 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)C1 ZINC000656449063 492622658 /nfs/dbraw/zinc/62/26/58/492622658.db2.gz XNPPIYNEAAZAEI-KRWDZBQOSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665025 492653910 /nfs/dbraw/zinc/65/39/10/492653910.db2.gz YTMCYZINTRMMBV-YOEHRIQHSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000644152291 492654232 /nfs/dbraw/zinc/65/42/32/492654232.db2.gz RLJJHAYEXQQNFT-LJQANCHMSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CCOCC[NH3+] ZINC000629580044 492656550 /nfs/dbraw/zinc/65/65/50/492656550.db2.gz SFUIUYWAVQAXED-CABCVRRESA-N 2 1 351.447 0.580 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629579444 492656830 /nfs/dbraw/zinc/65/68/30/492656830.db2.gz NXPVRUVETIKOPY-HNNXBMFYSA-N 2 1 350.463 0.336 20 0 FCADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707091 492664047 /nfs/dbraw/zinc/66/40/47/492664047.db2.gz YICJULYDGDLHNG-GBESFXJTSA-N 2 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707091 492664052 /nfs/dbraw/zinc/66/40/52/492664052.db2.gz YICJULYDGDLHNG-GBESFXJTSA-N 3 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707091 492664054 /nfs/dbraw/zinc/66/40/54/492664054.db2.gz YICJULYDGDLHNG-GBESFXJTSA-N 3 1 374.533 0.947 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000629797468 492676594 /nfs/dbraw/zinc/67/65/94/492676594.db2.gz CNZOHGLWBPRPCF-UHFFFAOYSA-N 2 1 361.490 0.074 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629812055 492685301 /nfs/dbraw/zinc/68/53/01/492685301.db2.gz FVKORDGXSDPUIC-OLZOCXBDSA-N 2 1 364.412 0.525 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644291251 492693025 /nfs/dbraw/zinc/69/30/25/492693025.db2.gz UXIMSOMOHXXKSQ-ZACQAIPSSA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644291251 492693028 /nfs/dbraw/zinc/69/30/28/492693028.db2.gz UXIMSOMOHXXKSQ-ZACQAIPSSA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644291251 492693031 /nfs/dbraw/zinc/69/30/31/492693031.db2.gz UXIMSOMOHXXKSQ-ZACQAIPSSA-N 2 1 367.538 0.299 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CC[N@H+]1C ZINC000636843760 492707375 /nfs/dbraw/zinc/70/73/75/492707375.db2.gz MIWGLSZTCRFHEX-IIDMSEBBSA-N 2 1 354.495 0.384 20 0 FCADMP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000636950578 492735623 /nfs/dbraw/zinc/73/56/23/492735623.db2.gz WRHYLHVCCBBNGZ-CZUORRHYSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000636950578 492735625 /nfs/dbraw/zinc/73/56/25/492735625.db2.gz WRHYLHVCCBBNGZ-CZUORRHYSA-N 2 1 350.467 0.990 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630588250 492754818 /nfs/dbraw/zinc/75/48/18/492754818.db2.gz BIGKZTQYNOGGNI-SFHVURJKSA-N 2 1 350.511 0.601 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC000630588250 492754819 /nfs/dbraw/zinc/75/48/19/492754819.db2.gz BIGKZTQYNOGGNI-SFHVURJKSA-N 3 1 350.511 0.601 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC000630588250 492754820 /nfs/dbraw/zinc/75/48/20/492754820.db2.gz BIGKZTQYNOGGNI-SFHVURJKSA-N 3 1 350.511 0.601 20 0 FCADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000630610621 492755655 /nfs/dbraw/zinc/75/56/55/492755655.db2.gz OCJHNQSFGMRULW-UHFFFAOYSA-N 2 1 351.543 0.545 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439644 492757853 /nfs/dbraw/zinc/75/78/53/492757853.db2.gz RXYPCLOBHOYUCN-HKUYNNGSSA-N 2 1 370.538 0.976 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000630825448 492777799 /nfs/dbraw/zinc/77/77/99/492777799.db2.gz HBEXZHLZNMIBIA-MHGIMSBQSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000630825448 492777804 /nfs/dbraw/zinc/77/78/04/492777804.db2.gz HBEXZHLZNMIBIA-MHGIMSBQSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000630825448 492777810 /nfs/dbraw/zinc/77/78/10/492777810.db2.gz HBEXZHLZNMIBIA-MHGIMSBQSA-N 2 1 360.502 0.718 20 0 FCADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000631247576 492806089 /nfs/dbraw/zinc/80/60/89/492806089.db2.gz YYFDOCHKBQEDHN-GOSISDBHSA-N 2 1 362.522 0.685 20 0 FCADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631247576 492806092 /nfs/dbraw/zinc/80/60/92/492806092.db2.gz YYFDOCHKBQEDHN-GOSISDBHSA-N 2 1 362.522 0.685 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000657873610 492807838 /nfs/dbraw/zinc/80/78/38/492807838.db2.gz LGRRVXYVXQTXJZ-QGZVFWFLSA-N 2 1 359.474 0.529 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000657873610 492807842 /nfs/dbraw/zinc/80/78/42/492807842.db2.gz LGRRVXYVXQTXJZ-QGZVFWFLSA-N 2 1 359.474 0.529 20 0 FCADMP O=C(CNc1nc(N2CCOCC2)cc[nH+]1)NCC[NH+]1CCCCCC1 ZINC000644867131 492816638 /nfs/dbraw/zinc/81/66/38/492816638.db2.gz RXFRXIRNCOJKCC-UHFFFAOYSA-N 2 1 362.478 0.717 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000637376747 492816644 /nfs/dbraw/zinc/81/66/44/492816644.db2.gz NNTKIGUKVLMJEQ-CVEARBPZSA-N 2 1 351.495 0.596 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000651845316 492833139 /nfs/dbraw/zinc/83/31/39/492833139.db2.gz IWYBKYUSDOYBDC-OAHLLOKOSA-N 2 1 350.467 0.324 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000651882582 492840238 /nfs/dbraw/zinc/84/02/38/492840238.db2.gz FXPSTNXTPHPWCI-AWEZNQCLSA-N 2 1 350.467 0.326 20 0 FCADMP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000631742966 492846700 /nfs/dbraw/zinc/84/67/00/492846700.db2.gz JQNLXFMQPULYAP-IAGOWNOFSA-N 2 1 360.568 0.806 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000645063896 492857315 /nfs/dbraw/zinc/85/73/15/492857315.db2.gz JEJYEDWMDRCIBI-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000645063896 492857318 /nfs/dbraw/zinc/85/73/18/492857318.db2.gz JEJYEDWMDRCIBI-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830215 492859156 /nfs/dbraw/zinc/85/91/56/492859156.db2.gz MMHNHONSLNUFTE-GJZGRUSLSA-N 2 1 356.478 0.778 20 0 FCADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)N1CCN(c2ccccn2)CC1 ZINC000631864204 492865611 /nfs/dbraw/zinc/86/56/11/492865611.db2.gz JMRBTCCSBZTDGA-UHFFFAOYSA-N 2 1 361.490 0.167 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000631910320 492876532 /nfs/dbraw/zinc/87/65/32/492876532.db2.gz ZYWCQKHSQGXPOL-MRXNPFEDSA-N 2 1 358.483 0.947 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652129481 492883476 /nfs/dbraw/zinc/88/34/76/492883476.db2.gz GEQGINCNPDCGAP-KXBFYZLASA-N 2 1 365.522 0.747 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000652151142 492888187 /nfs/dbraw/zinc/88/81/87/492888187.db2.gz KFJHAZRSXWCWKV-BZUAXINKSA-N 2 1 356.536 0.963 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C[NH+]1CCOCC1 ZINC000652155420 492889057 /nfs/dbraw/zinc/88/90/57/492889057.db2.gz CXVGVPACBJIQMR-VSZNYVQBSA-N 2 1 368.522 0.883 20 0 FCADMP CCCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645305419 492890341 /nfs/dbraw/zinc/89/03/41/492890341.db2.gz RMDIQUGTMFBNCW-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000645305419 492890343 /nfs/dbraw/zinc/89/03/43/492890343.db2.gz RMDIQUGTMFBNCW-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](C)C1 ZINC000645305419 492890347 /nfs/dbraw/zinc/89/03/47/492890347.db2.gz RMDIQUGTMFBNCW-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCC[N@H+]3CCCOCC3)C2)C1 ZINC000652195564 492894668 /nfs/dbraw/zinc/89/46/68/492894668.db2.gz YFEAGLCUPALTOP-GVDBMIGSSA-N 2 1 354.495 0.637 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000638064138 492898857 /nfs/dbraw/zinc/89/88/57/492898857.db2.gz RWJOQKJFMHSOKD-CALCHBBNSA-N 2 1 360.502 0.817 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000638072184 492899959 /nfs/dbraw/zinc/89/99/59/492899959.db2.gz QPISNSAZCUHJAE-BXWFABGCSA-N 2 1 360.458 0.842 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000638072184 492899960 /nfs/dbraw/zinc/89/99/60/492899960.db2.gz QPISNSAZCUHJAE-BXWFABGCSA-N 2 1 360.458 0.842 20 0 FCADMP CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000645411603 492903555 /nfs/dbraw/zinc/90/35/55/492903555.db2.gz QSRVCWSYHDDMRV-DAWZGUTISA-N 2 1 373.563 0.586 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000658466196 492906580 /nfs/dbraw/zinc/90/65/80/492906580.db2.gz XJUOKTWTQDFOQD-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000658466196 492906582 /nfs/dbraw/zinc/90/65/82/492906582.db2.gz XJUOKTWTQDFOQD-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000658466196 492906586 /nfs/dbraw/zinc/90/65/86/492906586.db2.gz XJUOKTWTQDFOQD-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000658466196 492906588 /nfs/dbraw/zinc/90/65/88/492906588.db2.gz XJUOKTWTQDFOQD-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000638109828 492908702 /nfs/dbraw/zinc/90/87/02/492908702.db2.gz HUEGDNQYYGYTMA-QGZVFWFLSA-N 2 1 362.474 0.234 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000632022389 492912720 /nfs/dbraw/zinc/91/27/20/492912720.db2.gz IQILLGUFWMWQLO-KRWDZBQOSA-N 2 1 355.504 0.495 20 0 FCADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348599 492913121 /nfs/dbraw/zinc/91/31/21/492913121.db2.gz JUXLDSGVPCFAOW-JYJNAYRXSA-N 2 1 363.524 0.161 20 0 FCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652348862 492913205 /nfs/dbraw/zinc/91/32/05/492913205.db2.gz UFZOGYWJDVBASS-YYIAUSFCSA-N 2 1 359.536 0.876 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348464 492913705 /nfs/dbraw/zinc/91/37/05/492913705.db2.gz FGWABOUVCDHGQU-XSLAGTTESA-N 2 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348464 492913711 /nfs/dbraw/zinc/91/37/11/492913711.db2.gz FGWABOUVCDHGQU-XSLAGTTESA-N 3 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348464 492913713 /nfs/dbraw/zinc/91/37/13/492913713.db2.gz FGWABOUVCDHGQU-XSLAGTTESA-N 3 1 352.523 0.757 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348164 492913787 /nfs/dbraw/zinc/91/37/87/492913787.db2.gz WGJJZDMOODWHLC-DRRXZNNHSA-N 2 1 366.506 0.317 20 0 FCADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000638142400 492917220 /nfs/dbraw/zinc/91/72/20/492917220.db2.gz ZNVQBVJOJSCUTN-HNNXBMFYSA-N 2 1 361.490 0.833 20 0 FCADMP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174600 492921123 /nfs/dbraw/zinc/92/11/23/492921123.db2.gz QPYFHFAKNJPVRY-RBUKOAKNSA-N 2 1 370.497 0.931 20 0 FCADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174600 492921126 /nfs/dbraw/zinc/92/11/26/492921126.db2.gz QPYFHFAKNJPVRY-RBUKOAKNSA-N 2 1 370.497 0.931 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000652463671 492939613 /nfs/dbraw/zinc/93/96/13/492939613.db2.gz PPPLWIGDOKVCIT-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638440781 492947595 /nfs/dbraw/zinc/94/75/95/492947595.db2.gz QPJQYELMAJOICF-HNNXBMFYSA-N 2 1 357.462 0.730 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255375 492958354 /nfs/dbraw/zinc/95/83/54/492958354.db2.gz QNCUKKQCPASEGS-SJORKVTESA-N 2 1 360.568 0.664 20 0 FCADMP O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000626312911 492962236 /nfs/dbraw/zinc/96/22/36/492962236.db2.gz WJLBWPNEQRPSFT-SFHVURJKSA-N 2 1 362.474 0.749 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000626312911 492962239 /nfs/dbraw/zinc/96/22/39/492962239.db2.gz WJLBWPNEQRPSFT-SFHVURJKSA-N 2 1 362.474 0.749 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658613567 492980997 /nfs/dbraw/zinc/98/09/97/492980997.db2.gz MTMILPFHZXGNLA-SJORKVTESA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658613567 492981000 /nfs/dbraw/zinc/98/10/00/492981000.db2.gz MTMILPFHZXGNLA-SJORKVTESA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000638834004 492981383 /nfs/dbraw/zinc/98/13/83/492981383.db2.gz CBCJXVPIINEKRT-OIISXLGYSA-N 2 1 367.515 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCCO1 ZINC000652669160 492983052 /nfs/dbraw/zinc/98/30/52/492983052.db2.gz XORIZTYUKZUHMQ-OAHLLOKOSA-N 2 1 354.495 0.191 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000652675285 492985676 /nfs/dbraw/zinc/98/56/76/492985676.db2.gz SOZYAAZCZGELLB-HUUCEWRRSA-N 2 1 368.522 0.496 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000645925842 492988621 /nfs/dbraw/zinc/98/86/21/492988621.db2.gz UPCCPCUJAFEBEV-UHFFFAOYSA-N 2 1 361.490 0.963 20 0 FCADMP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1COCCN1CC(F)F ZINC000638985531 492990953 /nfs/dbraw/zinc/99/09/53/492990953.db2.gz KAEYDVVSHLLOQA-ZDUSSCGKSA-N 2 1 355.389 0.396 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693221 492992255 /nfs/dbraw/zinc/99/22/55/492992255.db2.gz PPEBSOJPAZSLQL-YESZJQIVSA-N 2 1 368.522 0.579 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646009425 493000187 /nfs/dbraw/zinc/00/01/87/493000187.db2.gz JCBUXMYUJHSKOM-OKZBNKHCSA-N 2 1 350.507 0.145 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000646180342 493024110 /nfs/dbraw/zinc/02/41/10/493024110.db2.gz DKSCRSTVPCFIOW-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000632539432 493024574 /nfs/dbraw/zinc/02/45/74/493024574.db2.gz HNHJEKAVZVNPQF-SJORKVTESA-N 2 1 358.552 0.560 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683491 493030455 /nfs/dbraw/zinc/03/04/55/493030455.db2.gz ZYLDYYXHINHVSB-JKSUJKDBSA-N 2 1 359.474 0.706 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646223262 493030704 /nfs/dbraw/zinc/03/07/04/493030704.db2.gz FKQAUAOITKMZNJ-OALUTQOASA-N 2 1 360.502 0.548 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646415151 493046219 /nfs/dbraw/zinc/04/62/19/493046219.db2.gz DGHSGXQIPPYVBP-PMPSAXMXSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646415151 493046223 /nfs/dbraw/zinc/04/62/23/493046223.db2.gz DGHSGXQIPPYVBP-PMPSAXMXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(C[NH+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639849631 493055640 /nfs/dbraw/zinc/05/56/40/493055640.db2.gz PWLBXVYFQCCSMT-JVSBHGNQSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639849631 493055641 /nfs/dbraw/zinc/05/56/41/493055641.db2.gz PWLBXVYFQCCSMT-JVSBHGNQSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639849631 493055646 /nfs/dbraw/zinc/05/56/46/493055646.db2.gz PWLBXVYFQCCSMT-JVSBHGNQSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000626935943 493067345 /nfs/dbraw/zinc/06/73/45/493067345.db2.gz BGOVGDOOPSDFRO-IRXDYDNUSA-N 2 1 361.490 0.485 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626975501 493072609 /nfs/dbraw/zinc/07/26/09/493072609.db2.gz YACKFCSVHSWPJC-YNEHKIRRSA-N 2 1 351.417 0.401 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653155493 493079123 /nfs/dbraw/zinc/07/91/23/493079123.db2.gz WHZJAAANPXYRKZ-PXNSSMCTSA-N 2 1 372.469 0.525 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000646666682 493081790 /nfs/dbraw/zinc/08/17/90/493081790.db2.gz WZJCPFDQTSSPIF-ROUUACIJSA-N 2 1 373.501 0.607 20 0 FCADMP C[N@@H+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[C@H](Cc2ccccc2)C1 ZINC000653254558 493086518 /nfs/dbraw/zinc/08/65/18/493086518.db2.gz UYQHVCILTSAOSO-DLBZAZTESA-N 2 1 354.458 0.811 20 0 FCADMP C[N@H+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[C@H](Cc2ccccc2)C1 ZINC000653254558 493086520 /nfs/dbraw/zinc/08/65/20/493086520.db2.gz UYQHVCILTSAOSO-DLBZAZTESA-N 2 1 354.458 0.811 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653260798 493087108 /nfs/dbraw/zinc/08/71/08/493087108.db2.gz LGPRJRXKBVZYCK-KURKYZTESA-N 2 1 352.523 0.901 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653260800 493087474 /nfs/dbraw/zinc/08/74/74/493087474.db2.gz LGPRJRXKBVZYCK-RCCFBDPRSA-N 2 1 352.523 0.901 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000627113462 493088963 /nfs/dbraw/zinc/08/89/63/493088963.db2.gz ASHFKOIGZIZJNS-CKEIUWERSA-N 2 1 368.428 0.776 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000627186827 493104715 /nfs/dbraw/zinc/10/47/15/493104715.db2.gz YWIRDSXKLKMYRW-ZDUSSCGKSA-N 2 1 368.400 0.271 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633028397 493106380 /nfs/dbraw/zinc/10/63/80/493106380.db2.gz IUDHLWGTSHSSDL-OTRWWLKZSA-N 2 1 372.469 0.807 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259662 493121876 /nfs/dbraw/zinc/12/18/76/493121876.db2.gz XHBHHQHJWCPJRE-VQTJNVASSA-N 2 1 372.513 0.715 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1=O ZINC000633106576 493128856 /nfs/dbraw/zinc/12/88/56/493128856.db2.gz VLZPFKRIYFZZPZ-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP Cc1ccc2nc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)cc(=O)n2c1 ZINC000640797903 493131769 /nfs/dbraw/zinc/13/17/69/493131769.db2.gz GXPGFFCBLAQKED-UHFFFAOYSA-N 2 1 367.457 0.608 20 0 FCADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000633115744 493132718 /nfs/dbraw/zinc/13/27/18/493132718.db2.gz WLCWEENBDXEXSF-BBTUJRGHSA-N 2 1 368.481 0.684 20 0 FCADMP CCCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646984081 493142033 /nfs/dbraw/zinc/14/20/33/493142033.db2.gz IKHUMLKOVJQBCZ-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)O[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000647035145 493150470 /nfs/dbraw/zinc/15/04/70/493150470.db2.gz XRHWHTJZYRWYEP-NVXWUHKLSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)O[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000647035145 493150471 /nfs/dbraw/zinc/15/04/71/493150471.db2.gz XRHWHTJZYRWYEP-NVXWUHKLSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)Cn3cc(COCC[NH3+])nn3)CC2)c1 ZINC000640953787 493153573 /nfs/dbraw/zinc/15/35/73/493153573.db2.gz QDXWRWPWWVTIIH-UHFFFAOYSA-N 2 1 372.473 0.406 20 0 FCADMP CCCN(C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647076123 493158099 /nfs/dbraw/zinc/15/80/99/493158099.db2.gz NPQPHGGRTHCYKH-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000659111109 493158610 /nfs/dbraw/zinc/15/86/10/493158610.db2.gz FVGYCBVQGNMYAG-KKUMJFAQSA-N 2 1 362.474 0.958 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627334535 493158837 /nfs/dbraw/zinc/15/88/37/493158837.db2.gz TXCQWWLGHSFDBO-HOCLYGCPSA-N 2 1 352.479 0.004 20 0 FCADMP Cn1ccc(N2CCC[C@H](n3cc(CC[NH+]4CCC([NH3+])CC4)nn3)C2=O)n1 ZINC000641072653 493166053 /nfs/dbraw/zinc/16/60/53/493166053.db2.gz DVJRXDPSOWUYQK-INIZCTEOSA-N 2 1 372.477 0.345 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641072469 493166484 /nfs/dbraw/zinc/16/64/84/493166484.db2.gz JRTJIJNIZUNEMG-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641072469 493166489 /nfs/dbraw/zinc/16/64/89/493166489.db2.gz JRTJIJNIZUNEMG-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000653687174 493169071 /nfs/dbraw/zinc/16/90/71/493169071.db2.gz HSMAQJFTCOAHTB-PMACEKPBSA-N 2 1 374.529 0.636 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627356580 493173167 /nfs/dbraw/zinc/17/31/67/493173167.db2.gz KOFSYVZYSLGALZ-CGTJXYLNSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000659446930 493180647 /nfs/dbraw/zinc/18/06/47/493180647.db2.gz VTXDVJOOTTVQBW-CYBMUJFWSA-N 2 1 370.457 0.887 20 0 FCADMP OC[C@H]1CCC[N@@H+]1Cc1cn(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230522 493186213 /nfs/dbraw/zinc/18/62/13/493186213.db2.gz SCKMZDIUKKJOCZ-WOJBJXKFSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@H]1CCC[N@H+]1Cc1cn(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230522 493186214 /nfs/dbraw/zinc/18/62/14/493186214.db2.gz SCKMZDIUKKJOCZ-WOJBJXKFSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230522 493186215 /nfs/dbraw/zinc/18/62/15/493186215.db2.gz SCKMZDIUKKJOCZ-WOJBJXKFSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230522 493186217 /nfs/dbraw/zinc/18/62/17/493186217.db2.gz SCKMZDIUKKJOCZ-WOJBJXKFSA-N 2 1 371.485 0.872 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659490626 493195167 /nfs/dbraw/zinc/19/51/67/493195167.db2.gz ZIQIHUPKEFACHZ-HNNXBMFYSA-N 2 1 370.457 0.962 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000627388253 493195632 /nfs/dbraw/zinc/19/56/32/493195632.db2.gz PKBGUROBWDSCCZ-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000672695785 493234499 /nfs/dbraw/zinc/23/44/99/493234499.db2.gz HWZKCADPQCKZQN-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000666927122 493238769 /nfs/dbraw/zinc/23/87/69/493238769.db2.gz GNPQCVLHZDEXMB-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666974427 493242835 /nfs/dbraw/zinc/24/28/35/493242835.db2.gz QCAAIVPOTYGYQF-GOSISDBHSA-N 2 1 368.522 0.992 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979323 493245376 /nfs/dbraw/zinc/24/53/76/493245376.db2.gz TYBWCRACPFKBGF-XDNAFOTISA-N 2 1 366.506 0.527 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659682082 493249223 /nfs/dbraw/zinc/24/92/23/493249223.db2.gz GSEKUBAKDKRORP-HZPDHXFCSA-N 2 1 368.522 0.627 20 0 FCADMP CCS(=O)(=O)N[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054394 493254886 /nfs/dbraw/zinc/25/48/86/493254886.db2.gz HNGLCHQNIZMPMV-GFCCVEGCSA-N 2 1 355.464 0.100 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659690619 493255246 /nfs/dbraw/zinc/25/52/46/493255246.db2.gz PGNWVHZHZARIML-KRWDZBQOSA-N 2 1 361.490 0.936 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667082326 493257490 /nfs/dbraw/zinc/25/74/90/493257490.db2.gz PNKWCNOTEVETIE-UHFFFAOYSA-N 2 1 362.474 0.901 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659695085 493258019 /nfs/dbraw/zinc/25/80/19/493258019.db2.gz RHTMYORUNGRGHF-UWWQBHOKSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000659697285 493258556 /nfs/dbraw/zinc/25/85/56/493258556.db2.gz SIJKVZKRQQRTIP-XIRDDKMYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697285 493258558 /nfs/dbraw/zinc/25/85/58/493258558.db2.gz SIJKVZKRQQRTIP-XIRDDKMYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000659697282 493258648 /nfs/dbraw/zinc/25/86/48/493258648.db2.gz SIJKVZKRQQRTIP-BHYGNILZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000659697282 493258651 /nfs/dbraw/zinc/25/86/51/493258651.db2.gz SIJKVZKRQQRTIP-BHYGNILZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000659701281 493261391 /nfs/dbraw/zinc/26/13/91/493261391.db2.gz CVXWMBRVAPCTJK-ZBFHGGJFSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659710572 493267076 /nfs/dbraw/zinc/26/70/76/493267076.db2.gz RCFHOYLAWGXYTP-RCCFBDPRSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666517 493272455 /nfs/dbraw/zinc/27/24/55/493272455.db2.gz FQJVZKCQSJLGBY-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641666517 493272459 /nfs/dbraw/zinc/27/24/59/493272459.db2.gz FQJVZKCQSJLGBY-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666517 493272462 /nfs/dbraw/zinc/27/24/62/493272462.db2.gz FQJVZKCQSJLGBY-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000641668793 493275151 /nfs/dbraw/zinc/27/51/51/493275151.db2.gz DJGCNMSXSGSXDW-AEFFLSMTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000641668793 493275154 /nfs/dbraw/zinc/27/51/54/493275154.db2.gz DJGCNMSXSGSXDW-AEFFLSMTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000641668793 493275156 /nfs/dbraw/zinc/27/51/56/493275156.db2.gz DJGCNMSXSGSXDW-AEFFLSMTSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659734616 493278746 /nfs/dbraw/zinc/27/87/46/493278746.db2.gz NRSZTEJVLZLAFX-OAGGEKHMSA-N 2 1 366.506 0.474 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCCC1 ZINC000659735314 493278840 /nfs/dbraw/zinc/27/88/40/493278840.db2.gz RIFIVXYPYICADB-UHFFFAOYSA-N 2 1 364.515 0.823 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659738644 493279833 /nfs/dbraw/zinc/27/98/33/493279833.db2.gz HIWJPFLJLDEZQT-ULQDDVLXSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000659739377 493280643 /nfs/dbraw/zinc/28/06/43/493280643.db2.gz RZCHIBBBNIQBHZ-IXDOHACOSA-N 2 1 362.449 0.679 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750512 493286164 /nfs/dbraw/zinc/28/61/64/493286164.db2.gz CLUSSCMWCJUTGV-NVXWUHKLSA-N 2 1 361.490 0.619 20 0 FCADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000667486605 493286863 /nfs/dbraw/zinc/28/68/63/493286863.db2.gz SPVGYNACIIXFQL-UHFFFAOYSA-N 2 1 358.389 0.666 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@H+]1C/C=C\C[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539062 493306829 /nfs/dbraw/zinc/30/68/29/493306829.db2.gz VLPWRAUKYJJIRT-YZMBWLAVSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C\C[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539062 493306833 /nfs/dbraw/zinc/30/68/33/493306833.db2.gz VLPWRAUKYJJIRT-YZMBWLAVSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C\C[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539062 493306836 /nfs/dbraw/zinc/30/68/36/493306836.db2.gz VLPWRAUKYJJIRT-YZMBWLAVSA-N 2 1 360.502 0.714 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000673270152 493309609 /nfs/dbraw/zinc/30/96/09/493309609.db2.gz KXMHFQVODUCBGT-HZPDHXFCSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000673270152 493309610 /nfs/dbraw/zinc/30/96/10/493309610.db2.gz KXMHFQVODUCBGT-HZPDHXFCSA-N 2 1 356.511 0.447 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000668526240 493371304 /nfs/dbraw/zinc/37/13/04/493371304.db2.gz BQXKZIIPNZGZRU-SUMWQHHRSA-N 2 1 356.536 0.529 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000668546261 493374195 /nfs/dbraw/zinc/37/41/95/493374195.db2.gz WVYNFSVZBIRKIN-MSOLQXFVSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000668546447 493374255 /nfs/dbraw/zinc/37/42/55/493374255.db2.gz ZTZGRKSNHRGLTP-BBWFWOEESA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCSC1 ZINC000673982302 493379473 /nfs/dbraw/zinc/37/94/73/493379473.db2.gz KEBUVAKHBCJZKH-WBVHZDCISA-N 2 1 356.536 0.930 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982733 493379590 /nfs/dbraw/zinc/37/95/90/493379590.db2.gz NKFKNXDOTXCHEP-AEFFLSMTSA-N 2 1 369.579 0.845 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000668602767 493382708 /nfs/dbraw/zinc/38/27/08/493382708.db2.gz KGABESYITOLYRV-CVEARBPZSA-N 2 1 354.495 0.779 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H]2CNc3ccnn3C2)cc[nH+]1 ZINC000684198824 493401324 /nfs/dbraw/zinc/40/13/24/493401324.db2.gz WYGKAKLVKGRLCD-KKUMJFAQSA-N 2 1 374.468 0.987 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729013 493402846 /nfs/dbraw/zinc/40/28/46/493402846.db2.gz ZFVHQOXNGDAHJI-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729013 493402848 /nfs/dbraw/zinc/40/28/48/493402848.db2.gz ZFVHQOXNGDAHJI-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000661271844 493422732 /nfs/dbraw/zinc/42/27/32/493422732.db2.gz BFOKOEPGIOIHOH-JKSUJKDBSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000661271844 493422734 /nfs/dbraw/zinc/42/27/34/493422734.db2.gz BFOKOEPGIOIHOH-JKSUJKDBSA-N 2 1 368.522 0.279 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669063164 493459966 /nfs/dbraw/zinc/45/99/66/493459966.db2.gz ULQIUWJSYWRLOP-IRXDYDNUSA-N 2 1 373.505 0.382 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000669063149 493459973 /nfs/dbraw/zinc/45/99/73/493459973.db2.gz QQLKMWQHWZSQOD-INIZCTEOSA-N 2 1 361.494 0.430 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000669072082 493460746 /nfs/dbraw/zinc/46/07/46/493460746.db2.gz ZKCKNNSMKARKCY-GOSISDBHSA-N 2 1 372.513 0.802 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685336572 493477406 /nfs/dbraw/zinc/47/74/06/493477406.db2.gz GRUNROQJYMQCSI-IAGOWNOFSA-N 2 1 370.538 0.648 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685336572 493477409 /nfs/dbraw/zinc/47/74/09/493477409.db2.gz GRUNROQJYMQCSI-IAGOWNOFSA-N 2 1 370.538 0.648 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685340452 493480555 /nfs/dbraw/zinc/48/05/55/493480555.db2.gz QPGGYLAKJSMCDH-HOCLYGCPSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685340452 493480557 /nfs/dbraw/zinc/48/05/57/493480557.db2.gz QPGGYLAKJSMCDH-HOCLYGCPSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685340451 493480650 /nfs/dbraw/zinc/48/06/50/493480650.db2.gz QPGGYLAKJSMCDH-GOEBONIOSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685340451 493480652 /nfs/dbraw/zinc/48/06/52/493480652.db2.gz QPGGYLAKJSMCDH-GOEBONIOSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000685341470 493480877 /nfs/dbraw/zinc/48/08/77/493480877.db2.gz DITIDUQBDOPHJT-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000685341470 493480879 /nfs/dbraw/zinc/48/08/79/493480879.db2.gz DITIDUQBDOPHJT-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685341470 493480882 /nfs/dbraw/zinc/48/08/82/493480882.db2.gz DITIDUQBDOPHJT-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685341470 493480883 /nfs/dbraw/zinc/48/08/83/493480883.db2.gz DITIDUQBDOPHJT-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661985757 493481188 /nfs/dbraw/zinc/48/11/88/493481188.db2.gz XLZVXRVJKGEWPQ-NVXWUHKLSA-N 2 1 368.522 0.726 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000669273728 493487494 /nfs/dbraw/zinc/48/74/94/493487494.db2.gz GGFBLZWTRBGNCQ-ULQDDVLXSA-N 2 1 366.506 0.081 20 0 FCADMP CC1CCC(NC(=O)CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662262918 493501604 /nfs/dbraw/zinc/50/16/04/493501604.db2.gz YBYPHIOSLOSQTC-DAWZGUTISA-N 2 1 364.534 0.820 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000662272058 493501836 /nfs/dbraw/zinc/50/18/36/493501836.db2.gz CFLRJGNAXMCHQW-OAHLLOKOSA-N 2 1 353.488 0.782 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000669396658 493502547 /nfs/dbraw/zinc/50/25/47/493502547.db2.gz NEMOYBKBDNCJDX-SFHVURJKSA-N 2 1 362.474 0.697 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298999 493504545 /nfs/dbraw/zinc/50/45/45/493504545.db2.gz ZDKNVTWVZUVYDO-RHSMWYFYSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N1CC[NH2+]CC1 ZINC000662327265 493506695 /nfs/dbraw/zinc/50/66/95/493506695.db2.gz LKSDKZZZYRQOEH-UHFFFAOYSA-N 3 1 374.533 0.878 20 0 FCADMP O=C(CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N1CCNCC1 ZINC000662327265 493506699 /nfs/dbraw/zinc/50/66/99/493506699.db2.gz LKSDKZZZYRQOEH-UHFFFAOYSA-N 2 1 374.533 0.878 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491031 493507324 /nfs/dbraw/zinc/50/73/24/493507324.db2.gz IZHFMLWNBKDIAV-HOTGVXAUSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337597 493507643 /nfs/dbraw/zinc/50/76/43/493507643.db2.gz LUOQFZRUUKUXTM-IAGOWNOFSA-N 2 1 362.522 0.719 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337671 493507686 /nfs/dbraw/zinc/50/76/86/493507686.db2.gz NAGVYSYNJRMFQK-CVEARBPZSA-N 3 1 360.506 0.520 20 0 FCADMP C[C@@H]1CN(CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338480 493508130 /nfs/dbraw/zinc/50/81/30/493508130.db2.gz SASAQAYKUXIJRN-IAGOWNOFSA-N 2 1 362.522 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662364905 493509942 /nfs/dbraw/zinc/50/99/42/493509942.db2.gz NJJDLAVXCZUPMN-OKILXGFUSA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662364905 493509943 /nfs/dbraw/zinc/50/99/43/493509943.db2.gz NJJDLAVXCZUPMN-OKILXGFUSA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)CCO1 ZINC000662410393 493514098 /nfs/dbraw/zinc/51/40/98/493514098.db2.gz ZDCAEKDAKVDLFK-CQSZACIVSA-N 2 1 358.446 0.388 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)CCO1 ZINC000662410393 493514099 /nfs/dbraw/zinc/51/40/99/493514099.db2.gz ZDCAEKDAKVDLFK-CQSZACIVSA-N 2 1 358.446 0.388 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@@H+]1CCOC ZINC000662463593 493517849 /nfs/dbraw/zinc/51/78/49/493517849.db2.gz BDBSCJQIGGTVFJ-HUUCEWRRSA-N 2 1 350.467 0.304 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@H+]1CCOC ZINC000662463593 493517852 /nfs/dbraw/zinc/51/78/52/493517852.db2.gz BDBSCJQIGGTVFJ-HUUCEWRRSA-N 2 1 350.467 0.304 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@@H+]1CCOC ZINC000662463591 493518074 /nfs/dbraw/zinc/51/80/74/493518074.db2.gz BDBSCJQIGGTVFJ-CABCVRRESA-N 2 1 350.467 0.304 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@H+]1CCOC ZINC000662463591 493518076 /nfs/dbraw/zinc/51/80/76/493518076.db2.gz BDBSCJQIGGTVFJ-CABCVRRESA-N 2 1 350.467 0.304 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000662717635 493534328 /nfs/dbraw/zinc/53/43/28/493534328.db2.gz QBWCOCQHVOWALH-PVAVHDDUSA-N 2 1 362.478 0.264 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734562 493535760 /nfs/dbraw/zinc/53/57/60/493535760.db2.gz RGHDVRFZWLYLIC-HIFRSBDPSA-N 2 1 364.412 0.051 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734564 493536054 /nfs/dbraw/zinc/53/60/54/493536054.db2.gz RGHDVRFZWLYLIC-UKRRQHHQSA-N 2 1 364.412 0.051 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662755496 493539012 /nfs/dbraw/zinc/53/90/12/493539012.db2.gz CFOJIKNKILHBEW-RBUKOAKNSA-N 2 1 360.502 0.804 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676307218 493544643 /nfs/dbraw/zinc/54/46/43/493544643.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 2 1 369.554 0.763 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676307218 493544645 /nfs/dbraw/zinc/54/46/45/493544645.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 3 1 369.554 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676307218 493544647 /nfs/dbraw/zinc/54/46/47/493544647.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676307218 493544650 /nfs/dbraw/zinc/54/46/50/493544650.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676307218 493544653 /nfs/dbraw/zinc/54/46/53/493544653.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 3 1 369.554 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836938 493545817 /nfs/dbraw/zinc/54/58/17/493545817.db2.gz IPYVIZVOSMFXAH-UONOGXRCSA-N 2 1 362.478 0.459 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCN3CCNC3=O)CC2)C[C@H](C)O1 ZINC000676403969 493549929 /nfs/dbraw/zinc/54/99/29/493549929.db2.gz FLLCCLYICXCYEI-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000662930387 493555383 /nfs/dbraw/zinc/55/53/83/493555383.db2.gz PNXIALLLKXLCNJ-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000662949219 493559392 /nfs/dbraw/zinc/55/93/92/493559392.db2.gz AOCKODQFUHZLHQ-GOSISDBHSA-N 2 1 358.486 0.584 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000662949081 493559423 /nfs/dbraw/zinc/55/94/23/493559423.db2.gz RGARRJRJASQGNG-IBGZPJMESA-N 2 1 372.513 0.959 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000662949220 493559523 /nfs/dbraw/zinc/55/95/23/493559523.db2.gz AOCKODQFUHZLHQ-SFHVURJKSA-N 2 1 358.486 0.584 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000662951548 493559902 /nfs/dbraw/zinc/55/99/02/493559902.db2.gz LSNDDAHCRGJTJE-RXVVDRJESA-N 2 1 372.513 0.959 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000662954361 493560643 /nfs/dbraw/zinc/56/06/43/493560643.db2.gz UUQGBWFVHCLIKC-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662954219 493560680 /nfs/dbraw/zinc/56/06/80/493560680.db2.gz SXMVTPAQIGVTBY-QXAKKESOSA-N 2 1 372.513 0.958 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662972181 493562406 /nfs/dbraw/zinc/56/24/06/493562406.db2.gz ANUSNDSQVUHSFY-OALUTQOASA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000670481957 493573393 /nfs/dbraw/zinc/57/33/93/493573393.db2.gz UJTOOTDUAFBLPN-TZMCWYRMSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670481957 493573395 /nfs/dbraw/zinc/57/33/95/493573395.db2.gz UJTOOTDUAFBLPN-TZMCWYRMSA-N 2 1 354.495 0.247 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670709290 493589308 /nfs/dbraw/zinc/58/93/08/493589308.db2.gz SYAHCIHQLDAJDC-QGZVFWFLSA-N 2 1 350.507 0.825 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCOCC3CC3)C2)CC1 ZINC000670712142 493590071 /nfs/dbraw/zinc/59/00/71/493590071.db2.gz GKZROHRJTHEHRI-MRXNPFEDSA-N 2 1 366.506 0.204 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCOCC3CC3)C2)CC1 ZINC000670712142 493590073 /nfs/dbraw/zinc/59/00/73/493590073.db2.gz GKZROHRJTHEHRI-MRXNPFEDSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000677237423 493593035 /nfs/dbraw/zinc/59/30/35/493593035.db2.gz GWRPFXBJYMBXAF-SJORKVTESA-N 2 1 358.490 0.732 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670977353 493617409 /nfs/dbraw/zinc/61/74/09/493617409.db2.gz JGQKUNFHDOULHV-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670977353 493617410 /nfs/dbraw/zinc/61/74/10/493617410.db2.gz JGQKUNFHDOULHV-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670977353 493617412 /nfs/dbraw/zinc/61/74/12/493617412.db2.gz JGQKUNFHDOULHV-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670977353 493617414 /nfs/dbraw/zinc/61/74/14/493617414.db2.gz JGQKUNFHDOULHV-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671099209 493632785 /nfs/dbraw/zinc/63/27/85/493632785.db2.gz AEZRFJHVGBNEIA-BZSNNMDCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671099209 493632786 /nfs/dbraw/zinc/63/27/86/493632786.db2.gz AEZRFJHVGBNEIA-BZSNNMDCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671099209 493632788 /nfs/dbraw/zinc/63/27/88/493632788.db2.gz AEZRFJHVGBNEIA-BZSNNMDCSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104568 493634736 /nfs/dbraw/zinc/63/47/36/493634736.db2.gz WEPMBMPKUBKBLT-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000671105622 493634752 /nfs/dbraw/zinc/63/47/52/493634752.db2.gz SMTFOVNYNZWMGF-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000664141314 493639582 /nfs/dbraw/zinc/63/95/82/493639582.db2.gz MSMSTWWYPYXQBS-QAETUUGQSA-N 2 1 356.511 0.440 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671365613 493660821 /nfs/dbraw/zinc/66/08/21/493660821.db2.gz IVUDAKMYWYURDF-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000671418965 493669323 /nfs/dbraw/zinc/66/93/23/493669323.db2.gz KEZKRJNUKVDDEM-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000671418965 493669325 /nfs/dbraw/zinc/66/93/25/493669325.db2.gz KEZKRJNUKVDDEM-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000671418965 493669326 /nfs/dbraw/zinc/66/93/26/493669326.db2.gz KEZKRJNUKVDDEM-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CN(CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756990 493681694 /nfs/dbraw/zinc/68/16/94/493681694.db2.gz YSFZTBBJIXUHST-GVDBMIGSSA-N 2 1 356.511 0.896 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000664815612 493684796 /nfs/dbraw/zinc/68/47/96/493684796.db2.gz QPYHYDTWQSDANM-QGZVFWFLSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000664815612 493684798 /nfs/dbraw/zinc/68/47/98/493684798.db2.gz QPYHYDTWQSDANM-QGZVFWFLSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000664815612 493684800 /nfs/dbraw/zinc/68/48/00/493684800.db2.gz QPYHYDTWQSDANM-QGZVFWFLSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873437 493709873 /nfs/dbraw/zinc/70/98/73/493709873.db2.gz FANNSMCSXJZRAE-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873437 493709874 /nfs/dbraw/zinc/70/98/74/493709874.db2.gz FANNSMCSXJZRAE-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000671960564 493718493 /nfs/dbraw/zinc/71/84/93/493718493.db2.gz GMCDLJIZFBQHPD-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1CC[NH+](C)CC1 ZINC000672012779 493725027 /nfs/dbraw/zinc/72/50/27/493725027.db2.gz WJDOJSJBINTSRD-USXIJHARSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000672015387 493725209 /nfs/dbraw/zinc/72/52/09/493725209.db2.gz VVMMKXQMCVXHEZ-BFYDXBDKSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000672015387 493725210 /nfs/dbraw/zinc/72/52/10/493725210.db2.gz VVMMKXQMCVXHEZ-BFYDXBDKSA-N 2 1 368.522 0.137 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304755 493752343 /nfs/dbraw/zinc/75/23/43/493752343.db2.gz JITJHQNYUDNULW-ROUUACIJSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304755 493752345 /nfs/dbraw/zinc/75/23/45/493752345.db2.gz JITJHQNYUDNULW-ROUUACIJSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304755 493752347 /nfs/dbraw/zinc/75/23/47/493752347.db2.gz JITJHQNYUDNULW-ROUUACIJSA-N 2 1 362.518 0.777 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312510 493755530 /nfs/dbraw/zinc/75/55/30/493755530.db2.gz UQHJQSWWLXXAAU-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000666239012 493763752 /nfs/dbraw/zinc/76/37/52/493763752.db2.gz MUMBWALSGQFJSW-INIZCTEOSA-N 2 1 350.467 0.508 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1CC(C)(C)O ZINC000410846600 534278121 /nfs/dbraw/zinc/27/81/21/534278121.db2.gz ZWZKSQVXAOFDBQ-OAHLLOKOSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@H+]1CC(C)(C)O ZINC000410846600 534278125 /nfs/dbraw/zinc/27/81/25/534278125.db2.gz ZWZKSQVXAOFDBQ-OAHLLOKOSA-N 2 1 368.522 0.233 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423643671 536460170 /nfs/dbraw/zinc/46/01/70/536460170.db2.gz CWKWWSYUHBWCPH-ROUUACIJSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423643671 536460173 /nfs/dbraw/zinc/46/01/73/536460173.db2.gz CWKWWSYUHBWCPH-ROUUACIJSA-N 2 1 358.486 0.440 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1CCOC ZINC000410928641 527773789 /nfs/dbraw/zinc/77/37/89/527773789.db2.gz XILAZGNMSKXVFR-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1CCOC ZINC000410928641 527773793 /nfs/dbraw/zinc/77/37/93/527773793.db2.gz XILAZGNMSKXVFR-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1CCOC ZINC000410928641 527773798 /nfs/dbraw/zinc/77/37/98/527773798.db2.gz XILAZGNMSKXVFR-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1CCOC ZINC000410928641 527773801 /nfs/dbraw/zinc/77/38/01/527773801.db2.gz XILAZGNMSKXVFR-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724989 527819173 /nfs/dbraw/zinc/81/91/73/527819173.db2.gz MIGRMKHRFJDAFX-NXOAAHMSSA-N 2 1 368.522 0.231 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724989 527819178 /nfs/dbraw/zinc/81/91/78/527819178.db2.gz MIGRMKHRFJDAFX-NXOAAHMSSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724989 527819181 /nfs/dbraw/zinc/81/91/81/527819181.db2.gz MIGRMKHRFJDAFX-NXOAAHMSSA-N 2 1 368.522 0.231 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@@H]1C ZINC000410724989 527819183 /nfs/dbraw/zinc/81/91/83/527819183.db2.gz MIGRMKHRFJDAFX-NXOAAHMSSA-N 2 1 368.522 0.231 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1C ZINC000410709138 527820721 /nfs/dbraw/zinc/82/07/21/527820721.db2.gz MKYFDRQYFZDFCI-QGZVFWFLSA-N 2 1 364.490 0.968 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@H+]1C ZINC000410709138 527820726 /nfs/dbraw/zinc/82/07/26/527820726.db2.gz MKYFDRQYFZDFCI-QGZVFWFLSA-N 2 1 364.490 0.968 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000410436002 527820801 /nfs/dbraw/zinc/82/08/01/527820801.db2.gz QZBPJTRUYXMISM-IAGOWNOFSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000410436002 527820808 /nfs/dbraw/zinc/82/08/08/527820808.db2.gz QZBPJTRUYXMISM-IAGOWNOFSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840329 527823700 /nfs/dbraw/zinc/82/37/00/527823700.db2.gz DTJGURQXUSSRJO-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840329 527823707 /nfs/dbraw/zinc/82/37/07/527823707.db2.gz DTJGURQXUSSRJO-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840329 527823712 /nfs/dbraw/zinc/82/37/12/527823712.db2.gz DTJGURQXUSSRJO-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410840329 527823717 /nfs/dbraw/zinc/82/37/17/527823717.db2.gz DTJGURQXUSSRJO-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000410700257 527964851 /nfs/dbraw/zinc/96/48/51/527964851.db2.gz JOFZMVXPLYUHNS-JTDSTZFVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000410700257 527964857 /nfs/dbraw/zinc/96/48/57/527964857.db2.gz JOFZMVXPLYUHNS-JTDSTZFVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@H]1C ZINC000410700257 527964860 /nfs/dbraw/zinc/96/48/60/527964860.db2.gz JOFZMVXPLYUHNS-JTDSTZFVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000410700257 527964863 /nfs/dbraw/zinc/96/48/63/527964863.db2.gz JOFZMVXPLYUHNS-JTDSTZFVSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410767138 528074764 /nfs/dbraw/zinc/07/47/64/528074764.db2.gz NJSBOMBCQZSKPM-UHFFFAOYSA-N 2 1 370.538 0.482 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000410799790 528444694 /nfs/dbraw/zinc/44/46/94/528444694.db2.gz FTYZZRLHYIJAQX-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@@H+]1C ZINC000410570205 528712969 /nfs/dbraw/zinc/71/29/69/528712969.db2.gz ACXNLMJMDNWMMX-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@H+]1C ZINC000410570205 528712975 /nfs/dbraw/zinc/71/29/75/528712975.db2.gz ACXNLMJMDNWMMX-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH+]1C ZINC000410570205 528712978 /nfs/dbraw/zinc/71/29/78/528712978.db2.gz ACXNLMJMDNWMMX-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC[NH+]1C ZINC000410570205 528712982 /nfs/dbraw/zinc/71/29/82/528712982.db2.gz ACXNLMJMDNWMMX-KRWDZBQOSA-N 2 1 368.522 0.090 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410702838 528738163 /nfs/dbraw/zinc/73/81/63/528738163.db2.gz XFDJYUBEAXUOQX-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410702838 528738170 /nfs/dbraw/zinc/73/81/70/528738170.db2.gz XFDJYUBEAXUOQX-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000411027618 529074837 /nfs/dbraw/zinc/07/48/37/529074837.db2.gz OVASTLAAWKZIOJ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266276 535068531 /nfs/dbraw/zinc/06/85/31/535068531.db2.gz GDQYOHZTWFOECC-QGZVFWFLSA-N 2 1 362.474 0.235 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419688442 535071347 /nfs/dbraw/zinc/07/13/47/535071347.db2.gz AQAJMHNFOVLMLV-IXDOHACOSA-N 2 1 350.507 0.681 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCOCC1 ZINC000423339962 535107507 /nfs/dbraw/zinc/10/75/07/535107507.db2.gz ZZIGTNMZOZTCCB-MRXNPFEDSA-N 2 1 352.483 0.494 20 0 FCADMP CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000423667146 535186488 /nfs/dbraw/zinc/18/64/88/535186488.db2.gz UBVFYRGKRZCRIE-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000423667150 535186658 /nfs/dbraw/zinc/18/66/58/535186658.db2.gz UBVFYRGKRZCRIE-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422905217 535353430 /nfs/dbraw/zinc/35/34/30/535353430.db2.gz RQUSMHBBXAXVNH-JKSUJKDBSA-N 2 1 354.495 0.333 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988455 535553319 /nfs/dbraw/zinc/55/33/19/535553319.db2.gz XOLZUASLISWEPG-YKTARERQSA-N 2 1 350.507 0.763 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419824368 535710492 /nfs/dbraw/zinc/71/04/92/535710492.db2.gz MRAUMLQYQBEXPK-ZACQAIPSSA-N 2 1 367.538 0.010 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H]1C ZINC000423381993 535774753 /nfs/dbraw/zinc/77/47/53/535774753.db2.gz JQYKZQMSCWLGSD-LSDHHAIUSA-N 2 1 354.495 0.284 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H]1C ZINC000423381993 535774756 /nfs/dbraw/zinc/77/47/56/535774756.db2.gz JQYKZQMSCWLGSD-LSDHHAIUSA-N 2 1 354.495 0.284 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419410210 536100597 /nfs/dbraw/zinc/10/05/97/536100597.db2.gz OHCPIKIVOBZKSL-QZTJIDSGSA-N 2 1 358.486 0.889 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000419416067 536122699 /nfs/dbraw/zinc/12/26/99/536122699.db2.gz VTZDJFOMUXXJRB-YOEHRIQHSA-N 2 1 352.504 0.973 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423455944 536367705 /nfs/dbraw/zinc/36/77/05/536367705.db2.gz GFRMCATXYZHVKP-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000419657278 536368782 /nfs/dbraw/zinc/36/87/82/536368782.db2.gz JMZOQMXBPATUMD-RYQLBKOJSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH2+][C@@H]1CCN([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430643074 536377214 /nfs/dbraw/zinc/37/72/14/536377214.db2.gz LIKPSCLGGXNXTR-QFBILLFUSA-N 2 1 360.502 0.817 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423684189 536399004 /nfs/dbraw/zinc/39/90/04/536399004.db2.gz QZXRDNJWYJEMEY-OALUTQOASA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423684189 536399007 /nfs/dbraw/zinc/39/90/07/536399007.db2.gz QZXRDNJWYJEMEY-OALUTQOASA-N 2 1 372.513 0.959 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423701445 536399964 /nfs/dbraw/zinc/39/99/64/536399964.db2.gz WOUGCLKLFPXVHI-PXNSSMCTSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423701445 536399968 /nfs/dbraw/zinc/39/99/68/536399968.db2.gz WOUGCLKLFPXVHI-PXNSSMCTSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423701450 536400011 /nfs/dbraw/zinc/40/00/11/536400011.db2.gz WOUGCLKLFPXVHI-XLIONFOSSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000423701450 536400015 /nfs/dbraw/zinc/40/00/15/536400015.db2.gz WOUGCLKLFPXVHI-XLIONFOSSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419176165 536417145 /nfs/dbraw/zinc/41/71/45/536417145.db2.gz YWBNVPCACRJQFU-ROUUACIJSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000419758123 536417170 /nfs/dbraw/zinc/41/71/70/536417170.db2.gz DMRBOVPTZUHENX-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419835711 536433171 /nfs/dbraw/zinc/43/31/71/536433171.db2.gz AOZFQZYJAYUHJL-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423657725 536449295 /nfs/dbraw/zinc/44/92/95/536449295.db2.gz ZPBFNDCXJRDKBS-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1 ZINC000424447950 536469850 /nfs/dbraw/zinc/46/98/50/536469850.db2.gz NEJZVWSOAVCHEH-UHFFFAOYSA-N 2 1 362.474 0.914 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419759226 536481669 /nfs/dbraw/zinc/48/16/69/536481669.db2.gz GMZPRVKRQOLUPG-OTWHNJEPSA-N 2 1 370.497 0.691 20 0 FCADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCC(=O)N1CCOCC1 ZINC000414777774 536744734 /nfs/dbraw/zinc/74/47/34/536744734.db2.gz OUVMBYSVCAGFOG-UHFFFAOYSA-N 2 1 363.458 0.854 20 0 FCADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCC(=O)N1CCOCC1 ZINC000414777774 536744740 /nfs/dbraw/zinc/74/47/40/536744740.db2.gz OUVMBYSVCAGFOG-UHFFFAOYSA-N 2 1 363.458 0.854 20 0 FCADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c(OC)c1 ZINC000414968544 536779979 /nfs/dbraw/zinc/77/99/79/536779979.db2.gz CYQQEUXUTRCUSN-KBPBESRZSA-N 2 1 350.463 0.914 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419676334 536781191 /nfs/dbraw/zinc/78/11/91/536781191.db2.gz LOWAMKGQTDGAAC-DLBZAZTESA-N 2 1 362.474 0.024 20 0 FCADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436059996 536869629 /nfs/dbraw/zinc/86/96/29/536869629.db2.gz PMRFFWHENOOORZ-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436059996 536869636 /nfs/dbraw/zinc/86/96/36/536869636.db2.gz PMRFFWHENOOORZ-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594099368 546773875 /nfs/dbraw/zinc/77/38/75/546773875.db2.gz HMVZMVKNYFHSSK-INIZCTEOSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000458717208 546929127 /nfs/dbraw/zinc/92/91/27/546929127.db2.gz LKEBRCUJFXFILX-BBWFWOEESA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000458717208 546929132 /nfs/dbraw/zinc/92/91/32/546929132.db2.gz LKEBRCUJFXFILX-BBWFWOEESA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000458717208 546929139 /nfs/dbraw/zinc/92/91/39/546929139.db2.gz LKEBRCUJFXFILX-BBWFWOEESA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000458717209 546929267 /nfs/dbraw/zinc/92/92/67/546929267.db2.gz LKEBRCUJFXFILX-IXDOHACOSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000458717209 546929271 /nfs/dbraw/zinc/92/92/71/546929271.db2.gz LKEBRCUJFXFILX-IXDOHACOSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000458717209 546929275 /nfs/dbraw/zinc/92/92/75/546929275.db2.gz LKEBRCUJFXFILX-IXDOHACOSA-N 2 1 356.511 0.584 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC[S@@](=O)C1 ZINC000475119897 546937870 /nfs/dbraw/zinc/93/78/70/546937870.db2.gz QAOYYSVEIFKNKN-SGANQWHYSA-N 2 1 365.503 0.414 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000549956096 547074940 /nfs/dbraw/zinc/07/49/40/547074940.db2.gz JLPXAFRPQMDDFE-HNNXBMFYSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330386 547082430 /nfs/dbraw/zinc/08/24/30/547082430.db2.gz AXOMSMAAIQAZCT-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784066 547105102 /nfs/dbraw/zinc/10/51/02/547105102.db2.gz COVHWFVMADGHHH-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550784066 547105104 /nfs/dbraw/zinc/10/51/04/547105104.db2.gz COVHWFVMADGHHH-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550784066 547105108 /nfs/dbraw/zinc/10/51/08/547105108.db2.gz COVHWFVMADGHHH-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835718 547110037 /nfs/dbraw/zinc/11/00/37/547110037.db2.gz MCTBGMKJPCQISV-YJBOKZPZSA-N 2 1 370.563 0.777 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000550957730 547117316 /nfs/dbraw/zinc/11/73/16/547117316.db2.gz NJVKSNUCUUMNPC-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000550957730 547117321 /nfs/dbraw/zinc/11/73/21/547117321.db2.gz NJVKSNUCUUMNPC-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000550957730 547117328 /nfs/dbraw/zinc/11/73/28/547117328.db2.gz NJVKSNUCUUMNPC-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000551210836 547133905 /nfs/dbraw/zinc/13/39/05/547133905.db2.gz ABDPSOSVZBVLAH-PBHICJAKSA-N 2 1 356.536 0.340 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551214905 547134043 /nfs/dbraw/zinc/13/40/43/547134043.db2.gz IPIUEMVUZSDVSS-PBHICJAKSA-N 2 1 356.536 0.531 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278640 547138936 /nfs/dbraw/zinc/13/89/36/547138936.db2.gz SUNCQULNCJQMLE-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278640 547138943 /nfs/dbraw/zinc/13/89/43/547138943.db2.gz SUNCQULNCJQMLE-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278640 547138948 /nfs/dbraw/zinc/13/89/48/547138948.db2.gz SUNCQULNCJQMLE-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000552364059 547204929 /nfs/dbraw/zinc/20/49/29/547204929.db2.gz UBCNKMBHNMQVDN-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552546149 547215191 /nfs/dbraw/zinc/21/51/91/547215191.db2.gz BWAXTONDNZGYFG-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552546149 547215194 /nfs/dbraw/zinc/21/51/94/547215194.db2.gz BWAXTONDNZGYFG-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000552623803 547219720 /nfs/dbraw/zinc/21/97/20/547219720.db2.gz GTPRGLCRNGAWFF-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000553367729 547273385 /nfs/dbraw/zinc/27/33/85/547273385.db2.gz YQZVVPKWJPFWKI-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000553367729 547273388 /nfs/dbraw/zinc/27/33/88/547273388.db2.gz YQZVVPKWJPFWKI-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000553367729 547273393 /nfs/dbraw/zinc/27/33/93/547273393.db2.gz YQZVVPKWJPFWKI-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000477059290 547364241 /nfs/dbraw/zinc/36/42/41/547364241.db2.gz BMPCRLQEOQDGCQ-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000477059290 547364246 /nfs/dbraw/zinc/36/42/46/547364246.db2.gz BMPCRLQEOQDGCQ-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000477059285 547364836 /nfs/dbraw/zinc/36/48/36/547364836.db2.gz BMPCRLQEOQDGCQ-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000477059285 547364838 /nfs/dbraw/zinc/36/48/38/547364838.db2.gz BMPCRLQEOQDGCQ-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000950386323 674426553 /nfs/dbraw/zinc/42/65/53/674426553.db2.gz OKHVGUUDXHQPLU-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000950386323 674426555 /nfs/dbraw/zinc/42/65/55/674426555.db2.gz OKHVGUUDXHQPLU-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000950386323 674426556 /nfs/dbraw/zinc/42/65/56/674426556.db2.gz OKHVGUUDXHQPLU-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000954410815 674496832 /nfs/dbraw/zinc/49/68/32/674496832.db2.gz KJBHZBAQSCURGO-RHSMWYFYSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000954412421 674496856 /nfs/dbraw/zinc/49/68/56/674496856.db2.gz HXQRXJOOKJRBTG-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000954412421 674496857 /nfs/dbraw/zinc/49/68/57/674496857.db2.gz HXQRXJOOKJRBTG-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000954412421 674496858 /nfs/dbraw/zinc/49/68/58/674496858.db2.gz HXQRXJOOKJRBTG-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480523 606860534 /nfs/dbraw/zinc/86/05/34/606860534.db2.gz LMLSGKKUSQXCML-KDOFPFPSSA-N 2 1 374.489 0.925 20 0 FCADMP CN(CC[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000826023027 608418279 /nfs/dbraw/zinc/41/82/79/608418279.db2.gz VZSWPKDZLYQALD-GOSISDBHSA-N 2 1 373.505 0.858 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000989393773 665745331 /nfs/dbraw/zinc/74/53/31/665745331.db2.gz VMOXOHRCDYAJPR-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729648330 665738340 /nfs/dbraw/zinc/73/83/40/665738340.db2.gz ZLVOCTLOQGEXGH-UHFFFAOYSA-N 2 1 370.563 0.818 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778904 665772427 /nfs/dbraw/zinc/77/24/27/665772427.db2.gz JBXOVKYSYDAKDJ-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000897778904 665772430 /nfs/dbraw/zinc/77/24/30/665772430.db2.gz JBXOVKYSYDAKDJ-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000897778904 665772434 /nfs/dbraw/zinc/77/24/34/665772434.db2.gz JBXOVKYSYDAKDJ-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000990004754 665837528 /nfs/dbraw/zinc/83/75/28/665837528.db2.gz JVQLHYGCYWICJB-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000969687460 663188962 /nfs/dbraw/zinc/18/89/62/663188962.db2.gz BWMXDZLIKUEITQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000969687460 663188963 /nfs/dbraw/zinc/18/89/63/663188963.db2.gz BWMXDZLIKUEITQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000725715747 663351715 /nfs/dbraw/zinc/35/17/15/663351715.db2.gz YRXMWOIXDYJFSA-HDICACEKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725715747 663351718 /nfs/dbraw/zinc/35/17/18/663351718.db2.gz YRXMWOIXDYJFSA-HDICACEKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725715747 663351721 /nfs/dbraw/zinc/35/17/21/663351721.db2.gz YRXMWOIXDYJFSA-HDICACEKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022105226 663404673 /nfs/dbraw/zinc/40/46/73/663404673.db2.gz VKHRDKQJIZLEMQ-DGADGQDISA-N 2 1 357.520 0.388 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891481791 663408910 /nfs/dbraw/zinc/40/89/10/663408910.db2.gz GYQSGSJNHKENQE-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891564447 663415407 /nfs/dbraw/zinc/41/54/07/663415407.db2.gz NHCQFJKASLZYJX-SJORKVTESA-N 2 1 353.511 0.306 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000891563501 663415770 /nfs/dbraw/zinc/41/57/70/663415770.db2.gz IBWYZVPXBNJPMK-INIZCTEOSA-N 2 1 353.511 0.306 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847038 663444310 /nfs/dbraw/zinc/44/43/10/663444310.db2.gz DKZRAYYJZKPBSD-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000933847038 663444312 /nfs/dbraw/zinc/44/43/12/663444312.db2.gz DKZRAYYJZKPBSD-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000933847038 663444317 /nfs/dbraw/zinc/44/43/17/663444317.db2.gz DKZRAYYJZKPBSD-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891980447 663461095 /nfs/dbraw/zinc/46/10/95/663461095.db2.gz VJYIOMGNQMONDI-IAGOWNOFSA-N 2 1 353.511 0.082 20 0 FCADMP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892135153 663480819 /nfs/dbraw/zinc/48/08/19/663480819.db2.gz MYXXKTYNNFIYNF-IAGOWNOFSA-N 2 1 355.527 0.600 20 0 FCADMP COCCC1(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000892233506 663497680 /nfs/dbraw/zinc/49/76/80/663497680.db2.gz XGTMHZCCNRLIFR-HRCADAONSA-N 2 1 356.511 0.942 20 0 FCADMP COCCC1(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000892233506 663497684 /nfs/dbraw/zinc/49/76/84/663497684.db2.gz XGTMHZCCNRLIFR-HRCADAONSA-N 2 1 356.511 0.942 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000900438760 665973432 /nfs/dbraw/zinc/97/34/32/665973432.db2.gz DFSJBIDRGDPAIC-OAGGEKHMSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000900438760 665973434 /nfs/dbraw/zinc/97/34/34/665973434.db2.gz DFSJBIDRGDPAIC-OAGGEKHMSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000900438760 665973436 /nfs/dbraw/zinc/97/34/36/665973436.db2.gz DFSJBIDRGDPAIC-OAGGEKHMSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000900438760 665973438 /nfs/dbraw/zinc/97/34/38/665973438.db2.gz DFSJBIDRGDPAIC-OAGGEKHMSA-N 2 1 353.463 0.241 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC000972737862 663856272 /nfs/dbraw/zinc/85/62/72/663856272.db2.gz KVGAUBWAFACSEC-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnns3)C2)O1 ZINC001024037974 663867492 /nfs/dbraw/zinc/86/74/92/663867492.db2.gz DFVZYUSIAADCGV-VNHYZAJKSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnns3)C2)O1 ZINC001024037974 663867495 /nfs/dbraw/zinc/86/74/95/663867495.db2.gz DFVZYUSIAADCGV-VNHYZAJKSA-N 2 1 353.492 0.585 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000892648553 664059031 /nfs/dbraw/zinc/05/90/31/664059031.db2.gz FGIOPKNXHMUATN-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000892648553 664059034 /nfs/dbraw/zinc/05/90/34/664059034.db2.gz FGIOPKNXHMUATN-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000892648553 664059036 /nfs/dbraw/zinc/05/90/36/664059036.db2.gz FGIOPKNXHMUATN-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973332114 664099769 /nfs/dbraw/zinc/09/97/69/664099769.db2.gz HHPFZKCFXJUPGY-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892758596 664137178 /nfs/dbraw/zinc/13/71/78/664137178.db2.gz GEUDOPIPMHXAAL-GJZGRUSLSA-N 2 1 354.495 0.290 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818444 664195393 /nfs/dbraw/zinc/19/53/93/664195393.db2.gz RDELBAPLDHPGDN-JEWKUQAESA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO[C@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818444 664195395 /nfs/dbraw/zinc/19/53/95/664195395.db2.gz RDELBAPLDHPGDN-JEWKUQAESA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO[C@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818444 664195400 /nfs/dbraw/zinc/19/54/00/664195400.db2.gz RDELBAPLDHPGDN-JEWKUQAESA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO[C@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818444 664195403 /nfs/dbraw/zinc/19/54/03/664195403.db2.gz RDELBAPLDHPGDN-JEWKUQAESA-N 2 1 359.417 0.176 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112419 664205988 /nfs/dbraw/zinc/20/59/88/664205988.db2.gz MVLTVAGBBKTMIZ-IKGGRYGDSA-N 2 1 354.495 0.195 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112419 664205991 /nfs/dbraw/zinc/20/59/91/664205991.db2.gz MVLTVAGBBKTMIZ-IKGGRYGDSA-N 2 1 354.495 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000974189070 664226787 /nfs/dbraw/zinc/22/67/87/664226787.db2.gz CFSWRJCMZODDFC-ZOFXXKQRSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000974189070 664226790 /nfs/dbraw/zinc/22/67/90/664226790.db2.gz CFSWRJCMZODDFC-ZOFXXKQRSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000974189070 664226794 /nfs/dbraw/zinc/22/67/94/664226794.db2.gz CFSWRJCMZODDFC-ZOFXXKQRSA-N 2 1 350.507 0.822 20 0 FCADMP C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000194153908 664251555 /nfs/dbraw/zinc/25/15/55/664251555.db2.gz RSFFJZFQQZYGFI-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000194153908 664251557 /nfs/dbraw/zinc/25/15/57/664251557.db2.gz RSFFJZFQQZYGFI-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001026916809 664277245 /nfs/dbraw/zinc/27/72/45/664277245.db2.gz PCMNXKHSQPCDHD-UMVBOHGHSA-N 2 1 352.435 0.340 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001026916809 664277249 /nfs/dbraw/zinc/27/72/49/664277249.db2.gz PCMNXKHSQPCDHD-UMVBOHGHSA-N 2 1 352.435 0.340 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21)[NH+](C)C ZINC000975856369 664355591 /nfs/dbraw/zinc/35/55/91/664355591.db2.gz KNLXXVCAWHMOHI-NXOAAHMSSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccns4)C[C@H]32)O1 ZINC000978319081 664435128 /nfs/dbraw/zinc/43/51/28/664435128.db2.gz IXLUVBMCEIZSBL-CSOUEMRRSA-N 2 1 350.488 0.656 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000978881104 664448278 /nfs/dbraw/zinc/44/82/78/664448278.db2.gz OOSPDEDXHJQQLE-VVLHAWIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000978869505 664448466 /nfs/dbraw/zinc/44/84/66/664448466.db2.gz FUNOBQATRRXVDC-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000978869505 664448469 /nfs/dbraw/zinc/44/84/69/664448469.db2.gz FUNOBQATRRXVDC-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000978869505 664448470 /nfs/dbraw/zinc/44/84/70/664448470.db2.gz FUNOBQATRRXVDC-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000979857531 664464874 /nfs/dbraw/zinc/46/48/74/664464874.db2.gz ONDWSIAXLPTSRO-ZHCJQAHYSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000979857531 664464876 /nfs/dbraw/zinc/46/48/76/664464876.db2.gz ONDWSIAXLPTSRO-ZHCJQAHYSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000979857531 664464878 /nfs/dbraw/zinc/46/48/78/664464878.db2.gz ONDWSIAXLPTSRO-ZHCJQAHYSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000979857624 664465011 /nfs/dbraw/zinc/46/50/11/664465011.db2.gz CYQOBILPLJICCU-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000979857624 664465012 /nfs/dbraw/zinc/46/50/12/664465012.db2.gz CYQOBILPLJICCU-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000979857624 664465013 /nfs/dbraw/zinc/46/50/13/664465013.db2.gz CYQOBILPLJICCU-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCN2CCCC2=O)CC[N@H+]1C ZINC001027894777 664472791 /nfs/dbraw/zinc/47/27/91/664472791.db2.gz PZGVHWXABJUAIU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001027894777 664472792 /nfs/dbraw/zinc/47/27/92/664472792.db2.gz PZGVHWXABJUAIU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001027894777 664472793 /nfs/dbraw/zinc/47/27/93/664472793.db2.gz PZGVHWXABJUAIU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981193840 664817225 /nfs/dbraw/zinc/81/72/25/664817225.db2.gz HGRQMSOYTDCYMF-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981193840 664817229 /nfs/dbraw/zinc/81/72/29/664817229.db2.gz HGRQMSOYTDCYMF-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981193840 664817234 /nfs/dbraw/zinc/81/72/34/664817234.db2.gz HGRQMSOYTDCYMF-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981193840 664817240 /nfs/dbraw/zinc/81/72/40/664817240.db2.gz HGRQMSOYTDCYMF-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000981199955 664817648 /nfs/dbraw/zinc/81/76/48/664817648.db2.gz GSQRBEGTLOKKMK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000981199955 664817650 /nfs/dbraw/zinc/81/76/50/664817650.db2.gz GSQRBEGTLOKKMK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000981199955 664817652 /nfs/dbraw/zinc/81/76/52/664817652.db2.gz GSQRBEGTLOKKMK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000981199955 664817653 /nfs/dbraw/zinc/81/76/53/664817653.db2.gz GSQRBEGTLOKKMK-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283458 664864183 /nfs/dbraw/zinc/86/41/83/664864183.db2.gz SPNXIKXBECABDC-HIGHGGLBSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283458 664864187 /nfs/dbraw/zinc/86/41/87/664864187.db2.gz SPNXIKXBECABDC-HIGHGGLBSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283458 664864190 /nfs/dbraw/zinc/86/41/90/664864190.db2.gz SPNXIKXBECABDC-HIGHGGLBSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CCS(C)(=O)=O)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283424 664864328 /nfs/dbraw/zinc/86/43/28/664864328.db2.gz RXQZHMKLQDEDPG-AHCXZYCDSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CCS(C)(=O)=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283424 664864330 /nfs/dbraw/zinc/86/43/30/664864330.db2.gz RXQZHMKLQDEDPG-AHCXZYCDSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](CCS(C)(=O)=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982283424 664864331 /nfs/dbraw/zinc/86/43/31/664864331.db2.gz RXQZHMKLQDEDPG-AHCXZYCDSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CCS(C)(=O)=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982283424 664864332 /nfs/dbraw/zinc/86/43/32/664864332.db2.gz RXQZHMKLQDEDPG-AHCXZYCDSA-N 2 1 371.547 0.542 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C[C@H]2C1 ZINC000893739469 664872932 /nfs/dbraw/zinc/87/29/32/664872932.db2.gz BCIBADZUXNZJRQ-CIRFHOKZSA-N 2 1 350.507 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001028549549 664901613 /nfs/dbraw/zinc/90/16/13/664901613.db2.gz BAPNZEVWKPLJJE-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001028549549 664901614 /nfs/dbraw/zinc/90/16/14/664901614.db2.gz BAPNZEVWKPLJJE-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001028549549 664901616 /nfs/dbraw/zinc/90/16/16/664901616.db2.gz BAPNZEVWKPLJJE-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000894163736 664902021 /nfs/dbraw/zinc/90/20/21/664902021.db2.gz GQGNDYMXDOYLGB-DLBZAZTESA-N 2 1 356.511 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000982897385 664933036 /nfs/dbraw/zinc/93/30/36/664933036.db2.gz LUCXTKAJXSTSGF-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000982897385 664933038 /nfs/dbraw/zinc/93/30/38/664933038.db2.gz LUCXTKAJXSTSGF-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000982897385 664933039 /nfs/dbraw/zinc/93/30/39/664933039.db2.gz LUCXTKAJXSTSGF-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC000984013549 665013582 /nfs/dbraw/zinc/01/35/82/665013582.db2.gz JDKCULTZFNUJMQ-XLWJZTARSA-N 2 1 350.467 0.080 20 0 FCADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC000984013549 665013584 /nfs/dbraw/zinc/01/35/84/665013584.db2.gz JDKCULTZFNUJMQ-XLWJZTARSA-N 2 1 350.467 0.080 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984016862 665013644 /nfs/dbraw/zinc/01/36/44/665013644.db2.gz VPOVWAVVZUPILZ-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984016862 665013648 /nfs/dbraw/zinc/01/36/48/665013648.db2.gz VPOVWAVVZUPILZ-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728450796 665146542 /nfs/dbraw/zinc/14/65/42/665146542.db2.gz HSTNJOVUWVAVRD-INIZCTEOSA-N 2 1 367.563 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)CC[N@H+]1C ZINC000988319174 665285089 /nfs/dbraw/zinc/28/50/89/665285089.db2.gz FXFOFHTVZYFHBX-SRABZTEZSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000897458549 665289431 /nfs/dbraw/zinc/28/94/31/665289431.db2.gz AVDMEQZIJSBSJO-MRXNPFEDSA-N 2 1 353.511 0.620 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000988782299 665314380 /nfs/dbraw/zinc/31/43/80/665314380.db2.gz HSGKOVBPDGVOIZ-UXLLHSPISA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000906917608 666081032 /nfs/dbraw/zinc/08/10/32/666081032.db2.gz JCPKGWGCFHCJGQ-HOTGVXAUSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000906917608 666081034 /nfs/dbraw/zinc/08/10/34/666081034.db2.gz JCPKGWGCFHCJGQ-HOTGVXAUSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000907041436 666088579 /nfs/dbraw/zinc/08/85/79/666088579.db2.gz AALROIVZTPKBGO-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000907041436 666088580 /nfs/dbraw/zinc/08/85/80/666088580.db2.gz AALROIVZTPKBGO-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000907041436 666088581 /nfs/dbraw/zinc/08/85/81/666088581.db2.gz AALROIVZTPKBGO-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198647 666193590 /nfs/dbraw/zinc/19/35/90/666193590.db2.gz AXQJSVGOHNAGPU-ROUUACIJSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198647 666193593 /nfs/dbraw/zinc/19/35/93/666193593.db2.gz AXQJSVGOHNAGPU-ROUUACIJSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198647 666193595 /nfs/dbraw/zinc/19/35/95/666193595.db2.gz AXQJSVGOHNAGPU-ROUUACIJSA-N 2 1 352.523 0.460 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908204023 666194633 /nfs/dbraw/zinc/19/46/33/666194633.db2.gz UDOWBSXPVYABTG-OPQOLIRYSA-N 2 1 351.491 0.545 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000910985405 666301991 /nfs/dbraw/zinc/30/19/91/666301991.db2.gz XNRQVURGOQXGLC-XHSDSOJGSA-N 2 1 350.507 0.953 20 0 FCADMP C[NH+](C)CCNC(=S)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000044095077 666316980 /nfs/dbraw/zinc/31/69/80/666316980.db2.gz GXMRYBSFIZZCDP-UHFFFAOYSA-N 2 1 363.531 0.600 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000911844206 666375616 /nfs/dbraw/zinc/37/56/16/666375616.db2.gz ROWPEMWNPLRVMU-JKSUJKDBSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911844194 666377060 /nfs/dbraw/zinc/37/70/60/666377060.db2.gz ROWPEMWNPLRVMU-CVEARBPZSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159049 666382387 /nfs/dbraw/zinc/38/23/87/666382387.db2.gz BSOZNUZSWWKCOP-HNNXBMFYSA-N 2 1 355.552 0.522 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000921362337 666439734 /nfs/dbraw/zinc/43/97/34/666439734.db2.gz JOEGOWXRSKQXNU-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)C3CCCCC3)C2)O1 ZINC001031765941 666496226 /nfs/dbraw/zinc/49/62/26/666496226.db2.gz VUKSFXWZTMDYBU-ZTFGCOKTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)C3CCCCC3)C2)O1 ZINC001031765941 666496228 /nfs/dbraw/zinc/49/62/28/666496228.db2.gz VUKSFXWZTMDYBU-ZTFGCOKTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880545 666530894 /nfs/dbraw/zinc/53/08/94/666530894.db2.gz QOWDNFHCHWUKDY-HLLBOEOZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000992158372 666621013 /nfs/dbraw/zinc/62/10/13/666621013.db2.gz ZABMUQVAOYKUMY-RKHAHWSXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000914155396 666709938 /nfs/dbraw/zinc/70/99/38/666709938.db2.gz ADFBXFKFZRTXGS-WMZOPIPTSA-N 2 1 373.563 0.827 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000942437068 666728583 /nfs/dbraw/zinc/72/85/83/666728583.db2.gz KOCRASIGDWRTFW-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000942437068 666728585 /nfs/dbraw/zinc/72/85/85/666728585.db2.gz KOCRASIGDWRTFW-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000942437068 666728588 /nfs/dbraw/zinc/72/85/88/666728588.db2.gz KOCRASIGDWRTFW-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000943268405 666767881 /nfs/dbraw/zinc/76/78/81/666767881.db2.gz BEBLDZASBVLBIR-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827329 666891516 /nfs/dbraw/zinc/89/15/16/666891516.db2.gz UVSWALXSPYOJMG-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827328 666891599 /nfs/dbraw/zinc/89/15/99/666891599.db2.gz UVSWALXSPYOJMG-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)c1nc(CNC(=O)[C@@H]2CC[NH+](C)C2)cs1 ZINC000732911748 666909738 /nfs/dbraw/zinc/90/97/38/666909738.db2.gz GWIZWIQAXVXVAA-CHWSQXEVSA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000732911748 666909739 /nfs/dbraw/zinc/90/97/39/666909739.db2.gz GWIZWIQAXVXVAA-CHWSQXEVSA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000732911748 666909742 /nfs/dbraw/zinc/90/97/42/666909742.db2.gz GWIZWIQAXVXVAA-CHWSQXEVSA-N 2 1 365.503 0.626 20 0 FCADMP COc1nscc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996718415 666966651 /nfs/dbraw/zinc/96/66/51/666966651.db2.gz PHKZPAIZFZJYCJ-IUODEOHRSA-N 2 1 368.503 0.951 20 0 FCADMP COc1nscc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996718415 666966653 /nfs/dbraw/zinc/96/66/53/666966653.db2.gz PHKZPAIZFZJYCJ-IUODEOHRSA-N 2 1 368.503 0.951 20 0 FCADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000996715990 666967444 /nfs/dbraw/zinc/96/74/44/666967444.db2.gz HSMBCZOECCNLRN-UMVBOHGHSA-N 2 1 350.467 0.176 20 0 FCADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000996715990 666967446 /nfs/dbraw/zinc/96/74/46/666967446.db2.gz HSMBCZOECCNLRN-UMVBOHGHSA-N 2 1 350.467 0.176 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000997101815 667088380 /nfs/dbraw/zinc/08/83/80/667088380.db2.gz SHWWOIYFOVVOSY-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000997101815 667088385 /nfs/dbraw/zinc/08/83/85/667088385.db2.gz SHWWOIYFOVVOSY-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[NH+]1CCC(NC(=S)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000920309172 667234605 /nfs/dbraw/zinc/23/46/05/667234605.db2.gz BSAZEYXBUGJMET-UHFFFAOYSA-N 2 1 367.563 0.441 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCF)C3)nn2)CC[N@@H+]1C ZINC000999987437 667259221 /nfs/dbraw/zinc/25/92/21/667259221.db2.gz OCGNCTMLCWEHLC-OWCLPIDISA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCF)C3)nn2)CC[N@H+]1C ZINC000999987437 667259224 /nfs/dbraw/zinc/25/92/24/667259224.db2.gz OCGNCTMLCWEHLC-OWCLPIDISA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)CC[NH+]1C ZINC000999987437 667259227 /nfs/dbraw/zinc/25/92/27/667259227.db2.gz OCGNCTMLCWEHLC-OWCLPIDISA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)CC[NH+]1C ZINC000999987437 667259231 /nfs/dbraw/zinc/25/92/31/667259231.db2.gz OCGNCTMLCWEHLC-OWCLPIDISA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC[N@H+]1C ZINC001002258909 667528376 /nfs/dbraw/zinc/52/83/76/667528376.db2.gz VKMGRKBBRRZSRS-GVDBMIGSSA-N 2 1 352.523 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002860173 667572414 /nfs/dbraw/zinc/57/24/14/667572414.db2.gz YACVSYHKQSTCHZ-BHYGNILZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002860173 667572416 /nfs/dbraw/zinc/57/24/16/667572416.db2.gz YACVSYHKQSTCHZ-BHYGNILZSA-N 2 1 371.547 0.732 20 0 FCADMP CCN1C(=O)CN(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000758251961 667749625 /nfs/dbraw/zinc/74/96/25/667749625.db2.gz GHWJTZFNSOQOSH-UHFFFAOYSA-N 2 1 351.495 0.578 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001034218040 667749897 /nfs/dbraw/zinc/74/98/97/667749897.db2.gz YDTYVBLPGMTDBA-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001034218040 667749899 /nfs/dbraw/zinc/74/98/99/667749899.db2.gz YDTYVBLPGMTDBA-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001034218040 667749902 /nfs/dbraw/zinc/74/99/02/667749902.db2.gz YDTYVBLPGMTDBA-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001034218040 667749905 /nfs/dbraw/zinc/74/99/05/667749905.db2.gz YDTYVBLPGMTDBA-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001034647444 667762016 /nfs/dbraw/zinc/76/20/16/667762016.db2.gz IFVPSNDXSRRNJP-KLHDSHLOSA-N 2 1 351.495 0.369 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710784 667790028 /nfs/dbraw/zinc/79/00/28/667790028.db2.gz SJTAKROQSLRIMK-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710784 667790034 /nfs/dbraw/zinc/79/00/34/667790034.db2.gz SJTAKROQSLRIMK-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035708990 667790209 /nfs/dbraw/zinc/79/02/09/667790209.db2.gz OISJKYCPNUDFCE-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035708990 667790210 /nfs/dbraw/zinc/79/02/10/667790210.db2.gz OISJKYCPNUDFCE-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923322604 667825318 /nfs/dbraw/zinc/82/53/18/667825318.db2.gz YBTCAXQTWVKVIO-IRXDYDNUSA-N 2 1 350.507 0.384 20 0 FCADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H](O)C[NH3+] ZINC000923365634 667828069 /nfs/dbraw/zinc/82/80/69/667828069.db2.gz GQPWCUQPEOVQAB-NWDGAFQWSA-N 2 1 351.216 0.579 20 0 FCADMP C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H](O)C[NH3+] ZINC000923365634 667828076 /nfs/dbraw/zinc/82/80/76/667828076.db2.gz GQPWCUQPEOVQAB-NWDGAFQWSA-N 2 1 351.216 0.579 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000923403532 667831665 /nfs/dbraw/zinc/83/16/65/667831665.db2.gz DIRFGJHNLPTKLD-CVEARBPZSA-N 2 1 353.511 0.698 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(OC)c1OC ZINC000923486005 667840532 /nfs/dbraw/zinc/84/05/32/667840532.db2.gz AWJLWODCKDDJDE-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923535200 667845804 /nfs/dbraw/zinc/84/58/04/667845804.db2.gz ZJJANZDRPQUKAK-PKOBYXMFSA-N 2 1 352.523 0.677 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001006183438 667856445 /nfs/dbraw/zinc/85/64/45/667856445.db2.gz KNRJVYPUJMZVTF-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524800 668005270 /nfs/dbraw/zinc/00/52/70/668005270.db2.gz KVXXQEVTXJGNGB-LBPRGKRZSA-N 2 1 354.480 0.351 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000770124236 668174342 /nfs/dbraw/zinc/17/43/42/668174342.db2.gz PQALPXNUCWXLOF-BHYGNILZSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770124236 668174345 /nfs/dbraw/zinc/17/43/45/668174345.db2.gz PQALPXNUCWXLOF-BHYGNILZSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000796938216 669141151 /nfs/dbraw/zinc/14/11/51/669141151.db2.gz LLQIIOXKRXFIOZ-XSWJXKHESA-N 2 1 357.495 0.961 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000796938216 669141154 /nfs/dbraw/zinc/14/11/54/669141154.db2.gz LLQIIOXKRXFIOZ-XSWJXKHESA-N 2 1 357.495 0.961 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC000963344245 674981620 /nfs/dbraw/zinc/98/16/20/674981620.db2.gz KJLLBUGGCHAAKL-RDHHWEPZSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000799125479 669282599 /nfs/dbraw/zinc/28/25/99/669282599.db2.gz FZCOIZIGTNOBIH-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804048875 669353511 /nfs/dbraw/zinc/35/35/11/669353511.db2.gz ABZLISOHJSJUEA-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000808775558 669586388 /nfs/dbraw/zinc/58/63/88/669586388.db2.gz DPQGFOXVFBWDET-WBVHZDCISA-N 2 1 361.552 0.825 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000808775558 669586390 /nfs/dbraw/zinc/58/63/90/669586390.db2.gz DPQGFOXVFBWDET-WBVHZDCISA-N 2 1 361.552 0.825 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483898 669703249 /nfs/dbraw/zinc/70/32/49/669703249.db2.gz FHIKXIGRCRQVHD-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000829483898 669703252 /nfs/dbraw/zinc/70/32/52/669703252.db2.gz FHIKXIGRCRQVHD-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000829483898 669703253 /nfs/dbraw/zinc/70/32/53/669703253.db2.gz FHIKXIGRCRQVHD-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817936754 670049224 /nfs/dbraw/zinc/04/92/24/670049224.db2.gz VGZDANCGGPFGDR-IBGZPJMESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2Cl)CC1 ZINC000841156635 670537634 /nfs/dbraw/zinc/53/76/34/670537634.db2.gz QKSOZCKEVDBOHI-ZDUSSCGKSA-N 2 1 365.865 0.508 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841202319 670540489 /nfs/dbraw/zinc/54/04/89/670540489.db2.gz AYPUZNCXLHPKEF-GFCCVEGCSA-N 2 1 367.881 0.884 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841196379 670540765 /nfs/dbraw/zinc/54/07/65/670540765.db2.gz IPDUXWXUBSEMPF-GFCCVEGCSA-N 2 1 367.881 0.741 20 0 FCADMP C[C@@H]([NH3+])c1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000843201945 670779896 /nfs/dbraw/zinc/77/98/96/670779896.db2.gz CCJQOHBWTIFEME-LLVKDONJSA-N 2 1 353.448 0.986 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC([NH3+])CC1 ZINC000843353855 670804434 /nfs/dbraw/zinc/80/44/34/670804434.db2.gz NGJHPKOZZNQUMF-UHFFFAOYSA-N 2 1 354.476 0.864 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000843367213 670807966 /nfs/dbraw/zinc/80/79/66/670807966.db2.gz BCZJDFGHVHTFEO-CWRNSKLLSA-N 2 1 352.479 0.783 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000843367213 670807979 /nfs/dbraw/zinc/80/79/79/670807979.db2.gz BCZJDFGHVHTFEO-CWRNSKLLSA-N 2 1 352.479 0.783 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000845946382 671055345 /nfs/dbraw/zinc/05/53/45/671055345.db2.gz KMCOQYBOEQTPIL-SUMWQHHRSA-N 2 1 358.483 0.014 20 0 FCADMP CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000968097627 675182993 /nfs/dbraw/zinc/18/29/93/675182993.db2.gz QJFFKQBZKUGKDF-VNQPRFMTSA-N 2 1 354.495 0.105 20 0 FCADMP CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000968097627 675182994 /nfs/dbraw/zinc/18/29/94/675182994.db2.gz QJFFKQBZKUGKDF-VNQPRFMTSA-N 2 1 354.495 0.105 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891059 675906257 /nfs/dbraw/zinc/90/62/57/675906257.db2.gz KGLZFQNTHYPKGT-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891059 675906260 /nfs/dbraw/zinc/90/62/60/675906260.db2.gz KGLZFQNTHYPKGT-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891059 675906262 /nfs/dbraw/zinc/90/62/62/675906262.db2.gz KGLZFQNTHYPKGT-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@@H]3C2)O1 ZINC001048891059 675906263 /nfs/dbraw/zinc/90/62/63/675906263.db2.gz KGLZFQNTHYPKGT-DFBDCSAJSA-N 2 1 351.491 0.665 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852063883 671484643 /nfs/dbraw/zinc/48/46/43/671484643.db2.gz SZBWARRHIFKCGG-BRWVUGGUSA-N 2 1 352.479 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049481720 675950365 /nfs/dbraw/zinc/95/03/65/675950365.db2.gz JFHQFWXBCWQFNS-YLFCFFPRSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049481720 675950367 /nfs/dbraw/zinc/95/03/67/675950367.db2.gz JFHQFWXBCWQFNS-YLFCFFPRSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481720 675950368 /nfs/dbraw/zinc/95/03/68/675950368.db2.gz JFHQFWXBCWQFNS-YLFCFFPRSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481720 675950371 /nfs/dbraw/zinc/95/03/71/675950371.db2.gz JFHQFWXBCWQFNS-YLFCFFPRSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC001049483530 675950533 /nfs/dbraw/zinc/95/05/33/675950533.db2.gz YITVSDGBAXFMAC-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483530 675950535 /nfs/dbraw/zinc/95/05/35/675950535.db2.gz YITVSDGBAXFMAC-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001049483530 675950536 /nfs/dbraw/zinc/95/05/36/675950536.db2.gz YITVSDGBAXFMAC-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756825 675968493 /nfs/dbraw/zinc/96/84/93/675968493.db2.gz WGXCLQSTQXMMDR-HZPDHXFCSA-N 2 1 357.520 0.645 20 0 FCADMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724411 675964086 /nfs/dbraw/zinc/96/40/86/675964086.db2.gz NFHIRKRSWJABHM-JKSUJKDBSA-N 2 1 359.536 0.939 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000861754620 671991566 /nfs/dbraw/zinc/99/15/66/671991566.db2.gz NSYDIGHJBDZELA-GOEBONIOSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000861754620 671991568 /nfs/dbraw/zinc/99/15/68/671991568.db2.gz NSYDIGHJBDZELA-GOEBONIOSA-N 2 1 364.515 0.526 20 0 FCADMP CCN(CC)C(=O)CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733386 675964982 /nfs/dbraw/zinc/96/49/82/675964982.db2.gz MMCDHAXZSUINSQ-KRWDZBQOSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740153 675965710 /nfs/dbraw/zinc/96/57/10/675965710.db2.gz DYKPRZSUKBGUQR-LMMKCTJWSA-N 2 1 350.507 0.384 20 0 FCADMP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753737 675967896 /nfs/dbraw/zinc/96/78/96/675967896.db2.gz XTVXBLHJMPIMLY-SJORKVTESA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCOCC[NH3+] ZINC000863554752 672138707 /nfs/dbraw/zinc/13/87/07/672138707.db2.gz HIVDZEICBZBGER-HNNXBMFYSA-N 2 1 350.463 0.757 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000863554752 672138710 /nfs/dbraw/zinc/13/87/10/672138710.db2.gz HIVDZEICBZBGER-HNNXBMFYSA-N 2 1 350.463 0.757 20 0 FCADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931796 675983646 /nfs/dbraw/zinc/98/36/46/675983646.db2.gz IHRRVLDMKDREJD-RISCZKNCSA-N 2 1 360.384 0.703 20 0 FCADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931796 675983649 /nfs/dbraw/zinc/98/36/49/675983649.db2.gz IHRRVLDMKDREJD-RISCZKNCSA-N 2 1 360.384 0.703 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863834850 672159159 /nfs/dbraw/zinc/15/91/59/672159159.db2.gz NORPVMPZMGMWBU-KBPBESRZSA-N 2 1 358.483 0.014 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(CCC[NH+]3CCOCC3)nn2)C1 ZINC000864627038 672202455 /nfs/dbraw/zinc/20/24/55/672202455.db2.gz YMAYBVRXMQJRER-SFHVURJKSA-N 2 1 351.495 0.900 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CCC[NH+]3CCOCC3)nn2)C1 ZINC000864627038 672202458 /nfs/dbraw/zinc/20/24/58/672202458.db2.gz YMAYBVRXMQJRER-SFHVURJKSA-N 2 1 351.495 0.900 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865531292 672244434 /nfs/dbraw/zinc/24/44/34/672244434.db2.gz MYALOVPUHBRKAR-QGZVFWFLSA-N 2 1 350.511 0.963 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000865932646 672256394 /nfs/dbraw/zinc/25/63/94/672256394.db2.gz XTVOHAFXBSZUAQ-OKILXGFUSA-N 2 1 360.449 0.538 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)C(F)(F)C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000865932646 672256395 /nfs/dbraw/zinc/25/63/95/672256395.db2.gz XTVOHAFXBSZUAQ-OKILXGFUSA-N 2 1 360.449 0.538 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)C(F)(F)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000865932646 672256398 /nfs/dbraw/zinc/25/63/98/672256398.db2.gz XTVOHAFXBSZUAQ-OKILXGFUSA-N 2 1 360.449 0.538 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000865932645 672256468 /nfs/dbraw/zinc/25/64/68/672256468.db2.gz XTVOHAFXBSZUAQ-KBPBESRZSA-N 2 1 360.449 0.538 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000865942801 672257323 /nfs/dbraw/zinc/25/73/23/672257323.db2.gz CFSWBCHIRBTFRV-XJFOESAGSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000865942801 672257326 /nfs/dbraw/zinc/25/73/26/672257326.db2.gz CFSWBCHIRBTFRV-XJFOESAGSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000865942801 672257329 /nfs/dbraw/zinc/25/73/29/672257329.db2.gz CFSWBCHIRBTFRV-XJFOESAGSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC3(C[NH+](CC4CCC4)C3)O2)O1 ZINC001053617867 675996460 /nfs/dbraw/zinc/99/64/60/675996460.db2.gz IWEUGKQTWVJEGS-HYVNUMGLSA-N 2 1 351.491 0.855 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC3(C[NH+](CC4CCC4)C3)O2)O1 ZINC001053617867 675996462 /nfs/dbraw/zinc/99/64/62/675996462.db2.gz IWEUGKQTWVJEGS-HYVNUMGLSA-N 2 1 351.491 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868285522 672392040 /nfs/dbraw/zinc/39/20/40/672392040.db2.gz KDUUXBACSMJZHR-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868285522 672392042 /nfs/dbraw/zinc/39/20/42/672392042.db2.gz KDUUXBACSMJZHR-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162549 676051711 /nfs/dbraw/zinc/05/17/11/676051711.db2.gz YSKDKTPQNUNCDR-IJEWVQPXSA-N 2 1 350.507 0.822 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C1/SCC(=O)N1C ZINC000874266294 672771775 /nfs/dbraw/zinc/77/17/75/672771775.db2.gz IOOWMBWWMPEBGS-MPMPPSQCSA-N 2 1 354.520 0.908 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001001418891 676071146 /nfs/dbraw/zinc/07/11/46/676071146.db2.gz PBMYIQRAGKRCOV-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000875683472 672904310 /nfs/dbraw/zinc/90/43/10/672904310.db2.gz RKBZGXXIVVEBFG-UHFFFAOYSA-N 2 1 370.563 0.778 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624581 676107161 /nfs/dbraw/zinc/10/71/61/676107161.db2.gz RTWFJBVFCISRTC-FVQBIDKESA-N 2 1 350.463 0.894 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccsc3)C2)O1 ZINC001051679637 676108476 /nfs/dbraw/zinc/10/84/76/676108476.db2.gz IASGAPMFYUQDHT-FVQBIDKESA-N 2 1 353.488 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccsc3)C2)O1 ZINC001051679637 676108479 /nfs/dbraw/zinc/10/84/79/676108479.db2.gz IASGAPMFYUQDHT-FVQBIDKESA-N 2 1 353.488 0.784 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001052394611 676122911 /nfs/dbraw/zinc/12/29/11/676122911.db2.gz ZECGYXBDVYOYKX-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)CC[NH+]1C ZINC001052394611 676122913 /nfs/dbraw/zinc/12/29/13/676122913.db2.gz ZECGYXBDVYOYKX-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)CC[NH+]1C ZINC001052394611 676122914 /nfs/dbraw/zinc/12/29/14/676122914.db2.gz ZECGYXBDVYOYKX-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883139473 673367816 /nfs/dbraw/zinc/36/78/16/673367816.db2.gz NPFCPENVHQAKHH-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883710434 673392209 /nfs/dbraw/zinc/39/22/09/673392209.db2.gz KUUCSAYCJXSZMO-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000883898206 673402165 /nfs/dbraw/zinc/40/21/65/673402165.db2.gz VNMZLUBFDVLAJA-QGZVFWFLSA-N 2 1 356.511 0.849 20 0 FCADMP [NH3+][C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413253 673452166 /nfs/dbraw/zinc/45/21/66/673452166.db2.gz NPHHVVWIRZLMSU-CABCVRRESA-N 2 1 367.291 0.955 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884508387 673458228 /nfs/dbraw/zinc/45/82/28/673458228.db2.gz CQYCCWNTBIRDMX-NEPJUHHUSA-N 2 1 361.368 0.293 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]C1 ZINC000884523394 673459857 /nfs/dbraw/zinc/45/98/57/673459857.db2.gz WHJJTZQFJOJQOU-HIFRSBDPSA-N 2 1 364.515 0.821 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]C1 ZINC000884523394 673459860 /nfs/dbraw/zinc/45/98/60/673459860.db2.gz WHJJTZQFJOJQOU-HIFRSBDPSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@H+]1C1CC1 ZINC000884553709 673461603 /nfs/dbraw/zinc/46/16/03/673461603.db2.gz FRXWGXLCSMXZFU-QWRGUYRKSA-N 2 1 363.487 0.228 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@H+]1C1CC1 ZINC000884553710 673461637 /nfs/dbraw/zinc/46/16/37/673461637.db2.gz FRXWGXLCSMXZFU-WDEREUQCSA-N 2 1 363.487 0.228 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884597842 673464708 /nfs/dbraw/zinc/46/47/08/673464708.db2.gz LTINBMJVEOWFRK-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643113 673469283 /nfs/dbraw/zinc/46/92/83/673469283.db2.gz XOFLUVRQKSAIRP-KBXCAEBGSA-N 2 1 354.495 0.047 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878943 673487867 /nfs/dbraw/zinc/48/78/67/673487867.db2.gz OEPBZDKAUAKANA-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC[C@H]21 ZINC000884879731 673488171 /nfs/dbraw/zinc/48/81/71/673488171.db2.gz MFEPVVUYRMMMNY-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970481 673494413 /nfs/dbraw/zinc/49/44/13/673494413.db2.gz KDCPOFWCKHDBBG-HOTGVXAUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H](C)C1 ZINC000885015202 673498535 /nfs/dbraw/zinc/49/85/35/673498535.db2.gz VTFRLQBDAKGRGI-BPKGMFCQSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)N1CCO[C@H](CC)C1 ZINC000889755607 673685723 /nfs/dbraw/zinc/68/57/23/673685723.db2.gz JDURBTOIIJWSMP-ZJPYXAASSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023663 673774459 /nfs/dbraw/zinc/77/44/59/673774459.db2.gz OKDQBHCNDYVFFF-NVXWUHKLSA-N 2 1 361.552 0.873 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929429116 673956034 /nfs/dbraw/zinc/95/60/34/673956034.db2.gz XEVQNZVUPAZECE-HCXYKTFWSA-N 2 1 355.523 0.379 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929429116 673956035 /nfs/dbraw/zinc/95/60/35/673956035.db2.gz XEVQNZVUPAZECE-HCXYKTFWSA-N 2 1 355.523 0.379 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC001011209669 675376987 /nfs/dbraw/zinc/37/69/87/675376987.db2.gz NIDAITLCPKHSSN-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001014473087 675390273 /nfs/dbraw/zinc/39/02/73/675390273.db2.gz BQTHJIASIWXATM-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001014473087 675390276 /nfs/dbraw/zinc/39/02/76/675390276.db2.gz BQTHJIASIWXATM-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014473087 675390277 /nfs/dbraw/zinc/39/02/77/675390277.db2.gz BQTHJIASIWXATM-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014473087 675390279 /nfs/dbraw/zinc/39/02/79/675390279.db2.gz BQTHJIASIWXATM-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001017487436 675411836 /nfs/dbraw/zinc/41/18/36/675411836.db2.gz OQLWJFLZPBKKOH-OIISXLGYSA-N 2 1 350.507 0.942 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001018365130 675416400 /nfs/dbraw/zinc/41/64/00/675416400.db2.gz CWHPXYWMNAOFIL-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001018365130 675416409 /nfs/dbraw/zinc/41/64/09/675416409.db2.gz CWHPXYWMNAOFIL-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001018870199 675417891 /nfs/dbraw/zinc/41/78/91/675417891.db2.gz HWORQMWJQRVELW-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@H+]1C ZINC001020172045 675436431 /nfs/dbraw/zinc/43/64/31/675436431.db2.gz KCXPVCQIXRSJQU-RGCMKSIDSA-N 2 1 369.487 0.760 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001020174452 675436478 /nfs/dbraw/zinc/43/64/78/675436478.db2.gz BNVKFKOQJWVJSE-ZQDZILKHSA-N 2 1 352.458 0.715 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001020174597 675436503 /nfs/dbraw/zinc/43/65/03/675436503.db2.gz IQOGZHNGPDDEIH-ZQDZILKHSA-N 2 1 350.463 0.103 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C(C)C)C3=O)C2)CC[N@H+]1C ZINC001020175491 675436766 /nfs/dbraw/zinc/43/67/66/675436766.db2.gz RPDUTZCDZZZPRW-SMLCLMEVSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)CC[N@H+]1C ZINC001046032277 675681021 /nfs/dbraw/zinc/68/10/21/675681021.db2.gz IDHPGNZGVSPTLG-OKZBNKHCSA-N 2 1 352.523 0.318 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)CC[NH+]1C ZINC001046032277 675681025 /nfs/dbraw/zinc/68/10/25/675681025.db2.gz IDHPGNZGVSPTLG-OKZBNKHCSA-N 2 1 352.523 0.318 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)CC[NH+]1C ZINC001046032277 675681029 /nfs/dbraw/zinc/68/10/29/675681029.db2.gz IDHPGNZGVSPTLG-OKZBNKHCSA-N 2 1 352.523 0.318 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038693 675682297 /nfs/dbraw/zinc/68/22/97/675682297.db2.gz NCHKTEYQHYEGKN-KZNAEPCWSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038693 675682300 /nfs/dbraw/zinc/68/23/00/675682300.db2.gz NCHKTEYQHYEGKN-KZNAEPCWSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038693 675682302 /nfs/dbraw/zinc/68/23/02/675682302.db2.gz NCHKTEYQHYEGKN-KZNAEPCWSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038693 675682304 /nfs/dbraw/zinc/68/23/04/675682304.db2.gz NCHKTEYQHYEGKN-KZNAEPCWSA-N 2 1 352.523 0.580 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CCO2)CC1 ZINC000900596260 675698038 /nfs/dbraw/zinc/69/80/38/675698038.db2.gz ACHOWJFMEYSGJZ-KSZLIROESA-N 2 1 350.507 0.478 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000900812531 675719899 /nfs/dbraw/zinc/71/98/99/675719899.db2.gz WDYBHZFYRHOOIC-QZTJIDSGSA-N 2 1 353.555 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001048606514 675866710 /nfs/dbraw/zinc/86/67/10/675866710.db2.gz QICLPCZYQUWEAH-WRQOLXDDSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897484891 1192184855 /nfs/dbraw/zinc/18/48/55/1192184855.db2.gz YAIRXIFHFJAAIO-NUJGCVRESA-N 2 1 371.485 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2ccnc2)CC[N@H+]1C ZINC000969315797 1167873914 /nfs/dbraw/zinc/87/39/14/1167873914.db2.gz RHFKTAVKBRZKRO-VVLHAWIVSA-N 2 1 359.474 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000969428412 1167952401 /nfs/dbraw/zinc/95/24/01/1167952401.db2.gz OPTRMYDKWXFOFN-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000969428412 1167952404 /nfs/dbraw/zinc/95/24/04/1167952404.db2.gz OPTRMYDKWXFOFN-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000969428412 1167952405 /nfs/dbraw/zinc/95/24/05/1167952405.db2.gz OPTRMYDKWXFOFN-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969509261 1167997913 /nfs/dbraw/zinc/99/79/13/1167997913.db2.gz WUOAMZIOMVNJSX-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21)[NH+](C)C ZINC001083195931 1168371405 /nfs/dbraw/zinc/37/14/05/1168371405.db2.gz WYBPHTXBFNPVCZ-GBESFXJTSA-N 2 1 361.486 0.931 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21)[NH+](C)C ZINC001083195931 1168371411 /nfs/dbraw/zinc/37/14/11/1168371411.db2.gz WYBPHTXBFNPVCZ-GBESFXJTSA-N 2 1 361.486 0.931 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481981 1168559425 /nfs/dbraw/zinc/55/94/25/1168559425.db2.gz ZSLUUKRCYJSSRK-JOQVEUFWSA-N 2 1 363.502 0.714 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N2CCC2)O1 ZINC001021296700 1168959018 /nfs/dbraw/zinc/95/90/18/1168959018.db2.gz BFOOLOMRBDMQSG-AKBNIOSXSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N2CCC2)O1 ZINC001021296700 1168959042 /nfs/dbraw/zinc/95/90/42/1168959042.db2.gz BFOOLOMRBDMQSG-AKBNIOSXSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)O1 ZINC001021296700 1168959065 /nfs/dbraw/zinc/95/90/65/1168959065.db2.gz BFOOLOMRBDMQSG-AKBNIOSXSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)O1 ZINC001021296700 1168959079 /nfs/dbraw/zinc/95/90/79/1168959079.db2.gz BFOOLOMRBDMQSG-AKBNIOSXSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cnn(C)n2)O1 ZINC001021297720 1168965161 /nfs/dbraw/zinc/96/51/61/1168965161.db2.gz UAZDCOHBYGNRGA-IBWRZXHSSA-N 2 1 362.478 0.146 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)n2)CC1 ZINC000891006705 1168978813 /nfs/dbraw/zinc/97/88/13/1168978813.db2.gz RYPQTXZOMGOTCH-UHFFFAOYSA-N 2 1 362.478 0.641 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)n2)CC1 ZINC000891006705 1168978836 /nfs/dbraw/zinc/97/88/36/1168978836.db2.gz RYPQTXZOMGOTCH-UHFFFAOYSA-N 2 1 362.478 0.641 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001021388875 1169200868 /nfs/dbraw/zinc/20/08/68/1169200868.db2.gz OXOGJTKOEUCQPV-TZOQOTQKSA-N 2 1 370.497 0.929 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001021388875 1169200870 /nfs/dbraw/zinc/20/08/70/1169200870.db2.gz OXOGJTKOEUCQPV-TZOQOTQKSA-N 2 1 370.497 0.929 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001021388875 1169200880 /nfs/dbraw/zinc/20/08/80/1169200880.db2.gz OXOGJTKOEUCQPV-TZOQOTQKSA-N 2 1 370.497 0.929 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704401 1169899577 /nfs/dbraw/zinc/89/95/77/1169899577.db2.gz QKAVBHDBWVGGGE-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704401 1169899580 /nfs/dbraw/zinc/89/95/80/1169899580.db2.gz QKAVBHDBWVGGGE-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704401 1169899585 /nfs/dbraw/zinc/89/95/85/1169899585.db2.gz QKAVBHDBWVGGGE-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001691774372 1169935779 /nfs/dbraw/zinc/93/57/79/1169935779.db2.gz RIODYXAGWZESOI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394499 1170069532 /nfs/dbraw/zinc/06/95/32/1170069532.db2.gz YNKMBIDRVSLRSA-WNRNVDISSA-N 2 1 357.414 0.872 20 0 FCADMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394499 1170069539 /nfs/dbraw/zinc/06/95/39/1170069539.db2.gz YNKMBIDRVSLRSA-WNRNVDISSA-N 2 1 357.414 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnn(C)c1 ZINC001104345779 1170128763 /nfs/dbraw/zinc/12/87/63/1170128763.db2.gz SQJUOQAKBULMJB-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnn(C)c1 ZINC001104345779 1170128772 /nfs/dbraw/zinc/12/87/72/1170128772.db2.gz SQJUOQAKBULMJB-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347011 1170133254 /nfs/dbraw/zinc/13/32/54/1170133254.db2.gz PUICOFXXRXZYKZ-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347011 1170133269 /nfs/dbraw/zinc/13/32/69/1170133269.db2.gz PUICOFXXRXZYKZ-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@H](CO)[NH+](Cc1cccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)c1)C[C@H](C)O ZINC000276220758 1170361042 /nfs/dbraw/zinc/36/10/42/1170361042.db2.gz QOBJUSGOLXSYHG-BDXSIMOUSA-N 2 1 368.518 0.814 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415256 1170371046 /nfs/dbraw/zinc/37/10/46/1170371046.db2.gz PDQKMESLWQRRMU-QXSJWSMHSA-N 2 1 365.478 0.295 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415255 1170371357 /nfs/dbraw/zinc/37/13/57/1170371357.db2.gz PDQKMESLWQRRMU-JONQDZQNSA-N 2 1 365.478 0.295 20 0 FCADMP Cn1ccnc1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC000971568589 1170541320 /nfs/dbraw/zinc/54/13/20/1170541320.db2.gz WIFZRGOTORFAKJ-BZUAXINKSA-N 2 1 359.474 0.506 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000971568053 1170546960 /nfs/dbraw/zinc/54/69/60/1170546960.db2.gz PVXBQAAPCXNTKW-IXDOHACOSA-N 2 1 360.502 0.768 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@@H+]1C ZINC001022107396 1170663953 /nfs/dbraw/zinc/66/39/53/1170663953.db2.gz WUVAVKBNRRKGLH-LJISPDSOSA-N 2 1 365.478 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@H+]1C ZINC001022107396 1170663959 /nfs/dbraw/zinc/66/39/59/1170663959.db2.gz WUVAVKBNRRKGLH-LJISPDSOSA-N 2 1 365.478 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001022109854 1170672641 /nfs/dbraw/zinc/67/26/41/1170672641.db2.gz UJUCWCNDYFHSPR-ZOFXXKQRSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)CN1CC[NH+](C)CC1 ZINC000891602705 1170710583 /nfs/dbraw/zinc/71/05/83/1170710583.db2.gz LLTYBUBUJNIMPG-VQIMIIECSA-N 2 1 359.518 0.884 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)CN1CC[NH+](C)CC1 ZINC000891602702 1170710794 /nfs/dbraw/zinc/71/07/94/1170710794.db2.gz LLTYBUBUJNIMPG-LPHOPBHVSA-N 2 1 359.518 0.884 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)c1c[nH]cn1 ZINC001022217254 1170765739 /nfs/dbraw/zinc/76/57/39/1170765739.db2.gz IBDHAMWIQZYQBP-LSDHHAIUSA-N 2 1 371.485 0.842 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001087167177 1170769709 /nfs/dbraw/zinc/76/97/09/1170769709.db2.gz WIQHXGWMAOISRX-PVAVHDDUSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673266 1170804143 /nfs/dbraw/zinc/80/41/43/1170804143.db2.gz JATOWBCBKSYGAE-CHUNWDLHSA-N 2 1 363.462 0.046 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC001022276345 1170823862 /nfs/dbraw/zinc/82/38/62/1170823862.db2.gz HTJHIHCOTLGKBI-VDNDLQMASA-N 2 1 360.458 0.241 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC001022276345 1170823863 /nfs/dbraw/zinc/82/38/63/1170823863.db2.gz HTJHIHCOTLGKBI-VDNDLQMASA-N 2 1 360.458 0.241 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001022274795 1170824066 /nfs/dbraw/zinc/82/40/66/1170824066.db2.gz DZCNAGHBCDMHOW-BIYBGRMPSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001022274795 1170824068 /nfs/dbraw/zinc/82/40/68/1170824068.db2.gz DZCNAGHBCDMHOW-BIYBGRMPSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001022274615 1170824159 /nfs/dbraw/zinc/82/41/59/1170824159.db2.gz AFUOUFSNPPHNOB-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001022274615 1170824162 /nfs/dbraw/zinc/82/41/62/1170824162.db2.gz AFUOUFSNPPHNOB-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000891714040 1170832863 /nfs/dbraw/zinc/83/28/63/1170832863.db2.gz KMBNEQRQDPFRAD-DLBZAZTESA-N 2 1 358.490 0.679 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000891714043 1170833042 /nfs/dbraw/zinc/83/30/42/1170833042.db2.gz KMBNEQRQDPFRAD-SJORKVTESA-N 2 1 358.490 0.679 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891749821 1170843645 /nfs/dbraw/zinc/84/36/45/1170843645.db2.gz YNILULIPQBMXQI-SJORKVTESA-N 2 1 367.538 0.253 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891749821 1170843646 /nfs/dbraw/zinc/84/36/46/1170843646.db2.gz YNILULIPQBMXQI-SJORKVTESA-N 2 1 367.538 0.253 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001691239822 1170878958 /nfs/dbraw/zinc/87/89/58/1170878958.db2.gz DQOCZDXKXOOICR-LSDHHAIUSA-N 2 1 356.492 0.501 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891805841 1170881398 /nfs/dbraw/zinc/88/13/98/1170881398.db2.gz RRZPVXVWAXQSHU-QZTJIDSGSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805841 1170881399 /nfs/dbraw/zinc/88/13/99/1170881399.db2.gz RRZPVXVWAXQSHU-QZTJIDSGSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891805841 1170881401 /nfs/dbraw/zinc/88/14/01/1170881401.db2.gz RRZPVXVWAXQSHU-QZTJIDSGSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001691256637 1170895309 /nfs/dbraw/zinc/89/53/09/1170895309.db2.gz DNXRVOVWUFXYDR-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892163312 1171666383 /nfs/dbraw/zinc/66/63/83/1171666383.db2.gz NAVLVUCPZBBNSM-ZWKOTPCHSA-N 2 1 367.538 0.614 20 0 FCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892163311 1171666629 /nfs/dbraw/zinc/66/66/29/1171666629.db2.gz NAVLVUCPZBBNSM-ROUUACIJSA-N 2 1 367.538 0.614 20 0 FCADMP OCC[C@H]1COCCN1Cc1ccc(C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000934287270 1171699919 /nfs/dbraw/zinc/69/99/19/1171699919.db2.gz NWOMEYHERRZFDB-PMACEKPBSA-N 2 1 364.486 0.853 20 0 FCADMP OCC[C@H]1COCCN1Cc1ccc(C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000934287270 1171699923 /nfs/dbraw/zinc/69/99/23/1171699923.db2.gz NWOMEYHERRZFDB-PMACEKPBSA-N 2 1 364.486 0.853 20 0 FCADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746584 1171854592 /nfs/dbraw/zinc/85/45/92/1171854592.db2.gz OJJXACCVBBKYMZ-TWMKSMIVSA-N 2 1 369.473 0.292 20 0 FCADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746584 1171854593 /nfs/dbraw/zinc/85/45/93/1171854593.db2.gz OJJXACCVBBKYMZ-TWMKSMIVSA-N 2 1 369.473 0.292 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000972252692 1171886354 /nfs/dbraw/zinc/88/63/54/1171886354.db2.gz JPAYNBKTJPXZGL-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000972252692 1171886356 /nfs/dbraw/zinc/88/63/56/1171886356.db2.gz JPAYNBKTJPXZGL-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)NC[C@H]2COCCN2)C1 ZINC000892288737 1172021338 /nfs/dbraw/zinc/02/13/38/1172021338.db2.gz GLBMFMOIBUECPH-ROUUACIJSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000892293100 1172039862 /nfs/dbraw/zinc/03/98/62/1172039862.db2.gz WWSAEIDATWNHRD-SFHVURJKSA-N 2 1 364.490 0.860 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000892293100 1172039869 /nfs/dbraw/zinc/03/98/69/1172039869.db2.gz WWSAEIDATWNHRD-SFHVURJKSA-N 2 1 364.490 0.860 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)CC[N@@H+]1C ZINC000972434412 1172137140 /nfs/dbraw/zinc/13/71/40/1172137140.db2.gz QPAXTTCWSRRHKO-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)CC[N@H+]1C ZINC000972434412 1172137160 /nfs/dbraw/zinc/13/71/60/1172137160.db2.gz QPAXTTCWSRRHKO-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000989054352 1192663660 /nfs/dbraw/zinc/66/36/60/1192663660.db2.gz PAPABMLAXSTVJF-HYVNUMGLSA-N 2 1 361.490 0.941 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000897939888 1192852339 /nfs/dbraw/zinc/85/23/39/1192852339.db2.gz ULYJWJUHYDHQCT-JKSUJKDBSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000897939888 1192852341 /nfs/dbraw/zinc/85/23/41/1192852341.db2.gz ULYJWJUHYDHQCT-JKSUJKDBSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000898129012 1192859091 /nfs/dbraw/zinc/85/90/91/1192859091.db2.gz XLDKRAMZYLXTQH-JKSUJKDBSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001087236783 1179070800 /nfs/dbraw/zinc/07/08/00/1179070800.db2.gz LEHQRZHGXBPUNR-KFWWJZLASA-N 2 1 361.494 0.584 20 0 FCADMP CN1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C)CC1 ZINC000888991331 1179275092 /nfs/dbraw/zinc/27/50/92/1179275092.db2.gz YOAOWKFTUDHJJJ-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP CN1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000888991331 1179275098 /nfs/dbraw/zinc/27/50/98/1179275098.db2.gz YOAOWKFTUDHJJJ-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP CN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000888991331 1179275104 /nfs/dbraw/zinc/27/51/04/1179275104.db2.gz YOAOWKFTUDHJJJ-HXUWFJFHSA-N 2 1 360.502 0.329 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001023376056 1179505231 /nfs/dbraw/zinc/50/52/31/1179505231.db2.gz VFPPUZDDCBZRPH-LESCRADOSA-N 2 1 366.506 0.047 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001023376056 1179505239 /nfs/dbraw/zinc/50/52/39/1179505239.db2.gz VFPPUZDDCBZRPH-LESCRADOSA-N 2 1 366.506 0.047 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516705 1179731095 /nfs/dbraw/zinc/73/10/95/1179731095.db2.gz XAQGACCKYIXUPW-VKESLTNKSA-N 2 1 367.534 0.942 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211623807 1180218692 /nfs/dbraw/zinc/21/86/92/1180218692.db2.gz UHJHEPKXCFZRKD-KSZLIROESA-N 2 1 358.486 0.801 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]Cc3ccccn3)cc(=O)[nH]2)CC[N@@H+]1C ZINC001087257396 1180337895 /nfs/dbraw/zinc/33/78/95/1180337895.db2.gz QJRGYKXWUKUQOO-CZUORRHYSA-N 2 1 370.457 0.823 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]Cc3ccccn3)cc(=O)[nH]2)CC[N@H+]1C ZINC001087257396 1180337909 /nfs/dbraw/zinc/33/79/09/1180337909.db2.gz QJRGYKXWUKUQOO-CZUORRHYSA-N 2 1 370.457 0.823 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]cn4)[C@@H]3C2)C1 ZINC000972738838 1180685582 /nfs/dbraw/zinc/68/55/82/1180685582.db2.gz IEVQADJIDPZKQD-ZMSDIMECSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1 ZINC000972738838 1180685592 /nfs/dbraw/zinc/68/55/92/1180685592.db2.gz IEVQADJIDPZKQD-ZMSDIMECSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1 ZINC000972738838 1180685606 /nfs/dbraw/zinc/68/56/06/1180685606.db2.gz IEVQADJIDPZKQD-ZMSDIMECSA-N 2 1 359.474 0.743 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CCC1 ZINC001024649982 1181435874 /nfs/dbraw/zinc/43/58/74/1181435874.db2.gz JJRVJUQYDCLBNO-IAGOWNOFSA-N 2 1 371.441 0.120 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939782 1181545261 /nfs/dbraw/zinc/54/52/61/1181545261.db2.gz SCADWLHMMNRDMA-BXWFABGCSA-N 2 1 368.522 0.579 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892517621 1181697907 /nfs/dbraw/zinc/69/79/07/1181697907.db2.gz ADZLTFPZBOGPNU-KRWDZBQOSA-N 2 1 357.462 0.962 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083275185 1181780594 /nfs/dbraw/zinc/78/05/94/1181780594.db2.gz RTAPIJZBPKTUIR-FGTMMUONSA-N 2 1 361.490 0.363 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083275185 1181780598 /nfs/dbraw/zinc/78/05/98/1181780598.db2.gz RTAPIJZBPKTUIR-FGTMMUONSA-N 2 1 361.490 0.363 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083275185 1181780603 /nfs/dbraw/zinc/78/06/03/1181780603.db2.gz RTAPIJZBPKTUIR-FGTMMUONSA-N 2 1 361.490 0.363 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083275185 1181780608 /nfs/dbraw/zinc/78/06/08/1181780608.db2.gz RTAPIJZBPKTUIR-FGTMMUONSA-N 2 1 361.490 0.363 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024967392 1181807141 /nfs/dbraw/zinc/80/71/41/1181807141.db2.gz LVBCSEXSPWQEEG-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024967392 1181807143 /nfs/dbraw/zinc/80/71/43/1181807143.db2.gz LVBCSEXSPWQEEG-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NCC(C)C ZINC001480975692 1181859996 /nfs/dbraw/zinc/85/99/96/1181859996.db2.gz DQZQGZOGTUANOA-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NCC(C)C ZINC001480975692 1181859998 /nfs/dbraw/zinc/85/99/98/1181859998.db2.gz DQZQGZOGTUANOA-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC(=O)NCC(C)C ZINC001480975692 1181860002 /nfs/dbraw/zinc/86/00/02/1181860002.db2.gz DQZQGZOGTUANOA-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC(=O)NCC(C)C ZINC001480975692 1181860006 /nfs/dbraw/zinc/86/00/06/1181860006.db2.gz DQZQGZOGTUANOA-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000973000329 1181878039 /nfs/dbraw/zinc/87/80/39/1181878039.db2.gz QYFVZSZIBIYLIC-IXDOHACOSA-N 2 1 359.474 0.817 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000973415328 1182293174 /nfs/dbraw/zinc/29/31/74/1182293174.db2.gz BYPDODHGICITPH-FHULIHMCSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000973415328 1182293180 /nfs/dbraw/zinc/29/31/80/1182293180.db2.gz BYPDODHGICITPH-FHULIHMCSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000973415328 1182293185 /nfs/dbraw/zinc/29/31/85/1182293185.db2.gz BYPDODHGICITPH-FHULIHMCSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000973415328 1182293191 /nfs/dbraw/zinc/29/31/91/1182293191.db2.gz BYPDODHGICITPH-FHULIHMCSA-N 2 1 366.506 0.199 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000892789556 1182507057 /nfs/dbraw/zinc/50/70/57/1182507057.db2.gz QCESXDXLMPIREC-ZWKOTPCHSA-N 2 1 371.485 0.307 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[N@H+]1C ZINC001025794012 1182845616 /nfs/dbraw/zinc/84/56/16/1182845616.db2.gz HYHNONCWCILEMV-VKSRGFPUSA-N 2 1 360.502 0.526 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794012 1182845618 /nfs/dbraw/zinc/84/56/18/1182845618.db2.gz HYHNONCWCILEMV-VKSRGFPUSA-N 2 1 360.502 0.526 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C5CCC5)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794012 1182845623 /nfs/dbraw/zinc/84/56/23/1182845623.db2.gz HYHNONCWCILEMV-VKSRGFPUSA-N 2 1 360.502 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104795931 1182925546 /nfs/dbraw/zinc/92/55/46/1182925546.db2.gz AGJPECSZNAJCBR-HZPDHXFCSA-N 2 1 364.494 0.112 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104939566 1183012488 /nfs/dbraw/zinc/01/24/88/1183012488.db2.gz XASPFHUBGKHIFP-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064570 1183097937 /nfs/dbraw/zinc/09/79/37/1183097937.db2.gz XHKYPSRUJATCKO-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1)[NH+](C)C ZINC000974530153 1183308175 /nfs/dbraw/zinc/30/81/75/1183308175.db2.gz JCAKMEPUUHRNGB-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974587612 1183354650 /nfs/dbraw/zinc/35/46/50/1183354650.db2.gz AJWYQGQZPUROHN-RVKKMQEKSA-N 2 1 371.485 0.772 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCCO)CC2(C)C)CC1 ZINC000974596112 1183374391 /nfs/dbraw/zinc/37/43/91/1183374391.db2.gz ODRFVHPYLKOEBC-KURKYZTESA-N 2 1 367.534 0.942 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC000974597642 1183375454 /nfs/dbraw/zinc/37/54/54/1183375454.db2.gz HJBABUWXGGSRRA-FHLIZLRMSA-N 2 1 371.485 0.915 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001026855288 1183425268 /nfs/dbraw/zinc/42/52/68/1183425268.db2.gz DJLFBSPRRHSJRO-SOUVJXGZSA-N 2 1 365.478 0.884 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001026855288 1183425273 /nfs/dbraw/zinc/42/52/73/1183425273.db2.gz DJLFBSPRRHSJRO-SOUVJXGZSA-N 2 1 365.478 0.884 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC000974686375 1183439419 /nfs/dbraw/zinc/43/94/19/1183439419.db2.gz BQYSHAZSUUTTCW-JFIYKMOQSA-N 2 1 361.490 0.837 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnnn1C ZINC001268005488 1183468336 /nfs/dbraw/zinc/46/83/36/1183468336.db2.gz VJFHKZCWGSMMBT-OIISXLGYSA-N 2 1 371.489 0.397 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727338 1183505893 /nfs/dbraw/zinc/50/58/93/1183505893.db2.gz YQHVDHQXZMRVCQ-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727338 1183505898 /nfs/dbraw/zinc/50/58/98/1183505898.db2.gz YQHVDHQXZMRVCQ-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727338 1183505907 /nfs/dbraw/zinc/50/59/07/1183505907.db2.gz YQHVDHQXZMRVCQ-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCc3cnn(C)c3)CC2(C)C)O1 ZINC000974727338 1183505920 /nfs/dbraw/zinc/50/59/20/1183505920.db2.gz YQHVDHQXZMRVCQ-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)[C@@H](c2ccccc2)C1 ZINC000975083782 1183705958 /nfs/dbraw/zinc/70/59/58/1183705958.db2.gz ZVHUUWSAVRDLBQ-IXDOHACOSA-N 2 1 358.486 0.644 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765263 1186004486 /nfs/dbraw/zinc/00/44/86/1186004486.db2.gz YGDCSYRGZGIKOQ-QQXKLLMISA-N 2 1 370.497 0.372 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765263 1186004493 /nfs/dbraw/zinc/00/44/93/1186004493.db2.gz YGDCSYRGZGIKOQ-QQXKLLMISA-N 2 1 370.497 0.372 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765263 1186004500 /nfs/dbraw/zinc/00/45/00/1186004500.db2.gz YGDCSYRGZGIKOQ-QQXKLLMISA-N 2 1 370.497 0.372 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000978882183 1186020716 /nfs/dbraw/zinc/02/07/16/1186020716.db2.gz VFDHEQURVNASSS-VVLHAWIVSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000978882183 1186020719 /nfs/dbraw/zinc/02/07/19/1186020719.db2.gz VFDHEQURVNASSS-VVLHAWIVSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3cncn3C)C2)CC[N@H+]1C ZINC000978878242 1186024285 /nfs/dbraw/zinc/02/42/85/1186024285.db2.gz NTWLSVDKBVSEER-HDEZJCGLSA-N 2 1 361.490 0.704 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112530199 1186127362 /nfs/dbraw/zinc/12/73/62/1186127362.db2.gz ILZMYHZSJSGUHX-PXNSSMCTSA-N 2 1 367.534 0.946 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001027891670 1186196517 /nfs/dbraw/zinc/19/65/17/1186196517.db2.gz DXXNCUJHJOWYEN-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001027891670 1186196520 /nfs/dbraw/zinc/19/65/20/1186196520.db2.gz DXXNCUJHJOWYEN-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001027891670 1186196522 /nfs/dbraw/zinc/19/65/22/1186196522.db2.gz DXXNCUJHJOWYEN-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001027891670 1186196525 /nfs/dbraw/zinc/19/65/25/1186196525.db2.gz DXXNCUJHJOWYEN-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCN2CCCC2=O)O1 ZINC001027966413 1186241062 /nfs/dbraw/zinc/24/10/62/1186241062.db2.gz PKQSMSXXELXUTK-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCN2CCCC2=O)O1 ZINC001027966413 1186241075 /nfs/dbraw/zinc/24/10/75/1186241075.db2.gz PKQSMSXXELXUTK-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCN2CCCC2=O)O1 ZINC001027966413 1186241081 /nfs/dbraw/zinc/24/10/81/1186241081.db2.gz PKQSMSXXELXUTK-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCN2CCCC2=O)O1 ZINC001027966413 1186241087 /nfs/dbraw/zinc/24/10/87/1186241087.db2.gz PKQSMSXXELXUTK-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP COc1cncc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027966344 1186241216 /nfs/dbraw/zinc/24/12/16/1186241216.db2.gz NTAHTNVDEBEPFS-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP COc1cncc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027966344 1186241219 /nfs/dbraw/zinc/24/12/19/1186241219.db2.gz NTAHTNVDEBEPFS-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000981641627 1186475480 /nfs/dbraw/zinc/47/54/80/1186475480.db2.gz OQDUYBPHWBUTEH-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000981641627 1186475484 /nfs/dbraw/zinc/47/54/84/1186475484.db2.gz OQDUYBPHWBUTEH-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCn2cncn2)C3)CC[N@H+]1C ZINC000981779176 1186522478 /nfs/dbraw/zinc/52/24/78/1186522478.db2.gz WGESMRPTEDCUIC-DLBZAZTESA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CCn2cncn2)C3)CC[NH+]1C ZINC000981779176 1186522481 /nfs/dbraw/zinc/52/24/81/1186522481.db2.gz WGESMRPTEDCUIC-DLBZAZTESA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CCn2cncn2)C3)CC[NH+]1C ZINC000981779176 1186522483 /nfs/dbraw/zinc/52/24/83/1186522483.db2.gz WGESMRPTEDCUIC-DLBZAZTESA-N 2 1 360.506 0.933 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211713609 1186699072 /nfs/dbraw/zinc/69/90/72/1186699072.db2.gz RKNMLXFDJFNATG-RCCFBDPRSA-N 2 1 358.486 0.801 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723222 1187471534 /nfs/dbraw/zinc/47/15/34/1187471534.db2.gz RIBZNZGECNRIOW-FHLIZLRMSA-N 2 1 369.469 0.910 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C2)O1 ZINC000982696148 1187619445 /nfs/dbraw/zinc/61/94/45/1187619445.db2.gz OFRHSVKGAKKVKM-QLFBSQMISA-N 2 1 363.462 0.026 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C2)O1 ZINC000982696148 1187619448 /nfs/dbraw/zinc/61/94/48/1187619448.db2.gz OFRHSVKGAKKVKM-QLFBSQMISA-N 2 1 363.462 0.026 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000982778802 1187643128 /nfs/dbraw/zinc/64/31/28/1187643128.db2.gz KYBGXXXIWNGJIH-YESZJQIVSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000982778802 1187643144 /nfs/dbraw/zinc/64/31/44/1187643144.db2.gz KYBGXXXIWNGJIH-YESZJQIVSA-N 2 1 361.490 0.887 20 0 FCADMP COc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629246 1187758654 /nfs/dbraw/zinc/75/86/54/1187758654.db2.gz HXFJIRIXAXEBIK-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629246 1187758658 /nfs/dbraw/zinc/75/86/58/1187758658.db2.gz HXFJIRIXAXEBIK-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629246 1187758663 /nfs/dbraw/zinc/75/86/63/1187758663.db2.gz HXFJIRIXAXEBIK-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629246 1187758664 /nfs/dbraw/zinc/75/86/64/1187758664.db2.gz HXFJIRIXAXEBIK-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629218 1187759367 /nfs/dbraw/zinc/75/93/67/1187759367.db2.gz HODNHKMIDKREKY-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629218 1187759378 /nfs/dbraw/zinc/75/93/78/1187759378.db2.gz HODNHKMIDKREKY-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629218 1187759384 /nfs/dbraw/zinc/75/93/84/1187759384.db2.gz HODNHKMIDKREKY-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ncccc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629218 1187759389 /nfs/dbraw/zinc/75/93/89/1187759389.db2.gz HODNHKMIDKREKY-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818498 1187921261 /nfs/dbraw/zinc/92/12/61/1187921261.db2.gz UKUJRTVSDPHSQC-NXHRZFHOSA-N 2 1 358.486 0.516 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818498 1187921267 /nfs/dbraw/zinc/92/12/67/1187921267.db2.gz UKUJRTVSDPHSQC-NXHRZFHOSA-N 2 1 358.486 0.516 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028818498 1187921271 /nfs/dbraw/zinc/92/12/71/1187921271.db2.gz UKUJRTVSDPHSQC-NXHRZFHOSA-N 2 1 358.486 0.516 20 0 FCADMP CCN(C)CC(=O)N1CCC[C@@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001270175183 1188040850 /nfs/dbraw/zinc/04/08/50/1188040850.db2.gz CAJFNUAWULQXGX-GOSISDBHSA-N 2 1 361.446 0.203 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261953842 1188117648 /nfs/dbraw/zinc/11/76/48/1188117648.db2.gz ZLCYUEKYIBTYFV-LSDHHAIUSA-N 2 1 367.494 0.048 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261953842 1188117651 /nfs/dbraw/zinc/11/76/51/1188117651.db2.gz ZLCYUEKYIBTYFV-LSDHHAIUSA-N 2 1 367.494 0.048 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cccc5c[nH+]cn54)CC3)[C@H]2C1 ZINC001270368001 1188120661 /nfs/dbraw/zinc/12/06/61/1188120661.db2.gz DOCPVJPWFHFMEH-GJZGRUSLSA-N 2 1 353.426 0.617 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095028 1188222870 /nfs/dbraw/zinc/22/28/70/1188222870.db2.gz HXGKMOXMIHZLLU-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550095028 1188222873 /nfs/dbraw/zinc/22/28/73/1188222873.db2.gz HXGKMOXMIHZLLU-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000550133517 1188232580 /nfs/dbraw/zinc/23/25/80/1188232580.db2.gz QAVGGSDDVDREJJ-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000550136495 1188233850 /nfs/dbraw/zinc/23/38/50/1188233850.db2.gz GPSIFJXMQFPCHC-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000550136495 1188233852 /nfs/dbraw/zinc/23/38/52/1188233852.db2.gz GPSIFJXMQFPCHC-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000894788588 1188250839 /nfs/dbraw/zinc/25/08/39/1188250839.db2.gz UDSBNLRAZQUAOV-MGNMYUMUSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000894788588 1188250842 /nfs/dbraw/zinc/25/08/42/1188250842.db2.gz UDSBNLRAZQUAOV-MGNMYUMUSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000894788588 1188250843 /nfs/dbraw/zinc/25/08/43/1188250843.db2.gz UDSBNLRAZQUAOV-MGNMYUMUSA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]Cc3nnn(C)n3)CC2)CC[N@@H+]1C ZINC001029101860 1188271418 /nfs/dbraw/zinc/27/14/18/1188271418.db2.gz PEBXCTVZSXLNFN-CWRNSKLLSA-N 2 1 363.510 0.657 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]Cc3nnn(C)n3)CC2)CC[N@H+]1C ZINC001029101860 1188271422 /nfs/dbraw/zinc/27/14/22/1188271422.db2.gz PEBXCTVZSXLNFN-CWRNSKLLSA-N 2 1 363.510 0.657 20 0 FCADMP COCCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000983704061 1188274663 /nfs/dbraw/zinc/27/46/63/1188274663.db2.gz HLPMMMRJGLSKKK-KBUPBQIOSA-N 2 1 365.478 0.583 20 0 FCADMP COCCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000983704061 1188274667 /nfs/dbraw/zinc/27/46/67/1188274667.db2.gz HLPMMMRJGLSKKK-KBUPBQIOSA-N 2 1 365.478 0.583 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC000983704975 1188276479 /nfs/dbraw/zinc/27/64/79/1188276479.db2.gz PCPJTHFRRTZWSY-KBUPBQIOSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC000983707145 1188276970 /nfs/dbraw/zinc/27/69/70/1188276970.db2.gz AQDWEDSTTMSREE-KBUPBQIOSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC000983707145 1188276979 /nfs/dbraw/zinc/27/69/79/1188276979.db2.gz AQDWEDSTTMSREE-KBUPBQIOSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111598 1188293954 /nfs/dbraw/zinc/29/39/54/1188293954.db2.gz KYCFIHDFPHXAHB-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111598 1188293961 /nfs/dbraw/zinc/29/39/61/1188293961.db2.gz KYCFIHDFPHXAHB-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000550372887 1188343327 /nfs/dbraw/zinc/34/33/27/1188343327.db2.gz WXHVECQTATWBLO-INIZCTEOSA-N 2 1 362.474 0.625 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000983803359 1188348050 /nfs/dbraw/zinc/34/80/50/1188348050.db2.gz AMVXOUJDMUSNHB-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000983803359 1188348051 /nfs/dbraw/zinc/34/80/51/1188348051.db2.gz AMVXOUJDMUSNHB-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075798747 1188423319 /nfs/dbraw/zinc/42/33/19/1188423319.db2.gz MUVVNLFUOOKOLL-OKZBNKHCSA-N 2 1 360.502 0.483 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984012281 1189370872 /nfs/dbraw/zinc/37/08/72/1189370872.db2.gz FFITUNDYXZJYGP-DTZQCDIJSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984012281 1189370877 /nfs/dbraw/zinc/37/08/77/1189370877.db2.gz FFITUNDYXZJYGP-DTZQCDIJSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCc3ncnn32)CC[N@H+]1C ZINC001029314074 1189374149 /nfs/dbraw/zinc/37/41/49/1189374149.db2.gz ZVCKGJNVPYQIMH-UHDSXZAQSA-N 2 1 358.490 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCc3ncnn32)CC[NH+]1C ZINC001029314074 1189374154 /nfs/dbraw/zinc/37/41/54/1189374154.db2.gz ZVCKGJNVPYQIMH-UHDSXZAQSA-N 2 1 358.490 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCc3ncnn32)CC[NH+]1C ZINC001029314074 1189374160 /nfs/dbraw/zinc/37/41/60/1189374160.db2.gz ZVCKGJNVPYQIMH-UHDSXZAQSA-N 2 1 358.490 0.781 20 0 FCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803868 1189392873 /nfs/dbraw/zinc/39/28/73/1189392873.db2.gz IAXNDMINFPYVML-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803868 1189392878 /nfs/dbraw/zinc/39/28/78/1189392878.db2.gz IAXNDMINFPYVML-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CC(=O)NC ZINC001087601189 1189649419 /nfs/dbraw/zinc/64/94/19/1189649419.db2.gz FDNAIHLEUCVUEB-BBWFWOEESA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(=O)NC ZINC001087601189 1189649428 /nfs/dbraw/zinc/64/94/28/1189649428.db2.gz FDNAIHLEUCVUEB-BBWFWOEESA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(=O)NC ZINC001087601189 1189649439 /nfs/dbraw/zinc/64/94/39/1189649439.db2.gz FDNAIHLEUCVUEB-BBWFWOEESA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(=O)NC ZINC001087601189 1189649443 /nfs/dbraw/zinc/64/94/43/1189649443.db2.gz FDNAIHLEUCVUEB-BBWFWOEESA-N 2 1 366.506 0.345 20 0 FCADMP Cc1nccn1CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984260068 1189730690 /nfs/dbraw/zinc/73/06/90/1189730690.db2.gz MCIXZYABGBYCQH-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984260068 1189730717 /nfs/dbraw/zinc/73/07/17/1189730717.db2.gz MCIXZYABGBYCQH-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984260068 1189730731 /nfs/dbraw/zinc/73/07/31/1189730731.db2.gz MCIXZYABGBYCQH-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001271142850 1189813584 /nfs/dbraw/zinc/81/35/84/1189813584.db2.gz GRSJEWXECKSXID-APWZRJJASA-N 2 1 359.474 0.818 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144044 1189815213 /nfs/dbraw/zinc/81/52/13/1189815213.db2.gz RNYDEQZDBHZUDC-LPHOPBHVSA-N 2 1 359.474 0.855 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001271144044 1189815214 /nfs/dbraw/zinc/81/52/14/1189815214.db2.gz RNYDEQZDBHZUDC-LPHOPBHVSA-N 2 1 359.474 0.855 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909101 1189895124 /nfs/dbraw/zinc/89/51/24/1189895124.db2.gz YOXBATBNRBOZJJ-IXDOHACOSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087909101 1189895125 /nfs/dbraw/zinc/89/51/25/1189895125.db2.gz YOXBATBNRBOZJJ-IXDOHACOSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087909101 1189895127 /nfs/dbraw/zinc/89/51/27/1189895127.db2.gz YOXBATBNRBOZJJ-IXDOHACOSA-N 2 1 360.506 0.981 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896009039 1189913359 /nfs/dbraw/zinc/91/33/59/1189913359.db2.gz JNPXWPJJQWJGAC-KRWDZBQOSA-N 2 1 364.490 0.038 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnnn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972237 1190032075 /nfs/dbraw/zinc/03/20/75/1190032075.db2.gz SAFAMUSMKOETSI-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnnn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972237 1190032081 /nfs/dbraw/zinc/03/20/81/1190032081.db2.gz SAFAMUSMKOETSI-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972237 1190032084 /nfs/dbraw/zinc/03/20/84/1190032084.db2.gz SAFAMUSMKOETSI-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972237 1190032093 /nfs/dbraw/zinc/03/20/93/1190032093.db2.gz SAFAMUSMKOETSI-MXSMSXNCSA-N 2 1 360.506 0.826 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985778 1190107206 /nfs/dbraw/zinc/10/72/06/1190107206.db2.gz DDIAZOCNRPXIQF-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985778 1190107211 /nfs/dbraw/zinc/10/72/11/1190107211.db2.gz DDIAZOCNRPXIQF-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087985778 1190107217 /nfs/dbraw/zinc/10/72/17/1190107217.db2.gz DDIAZOCNRPXIQF-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cnn(C)n3)C[C@H]2C1 ZINC001087986348 1190115239 /nfs/dbraw/zinc/11/52/39/1190115239.db2.gz HHPPVRALKLJTIA-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC000984839951 1190181257 /nfs/dbraw/zinc/18/12/57/1190181257.db2.gz ZDYXLHFXUSKNCE-DBDQLMEASA-N 2 1 370.497 0.705 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@H]3CCn4cncc4C3)C[C@@H]2C1)NC1CC1 ZINC001088017208 1190225727 /nfs/dbraw/zinc/22/57/27/1190225727.db2.gz QGMIGDANOZMCKP-XHSDSOJGSA-N 2 1 371.485 0.504 20 0 FCADMP O=C([C@H]1CCn2cncc2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088016982 1190225819 /nfs/dbraw/zinc/22/58/19/1190225819.db2.gz FKWYURPMLDHQQG-BBWFWOEESA-N 2 1 369.473 0.518 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@@H]2C1 ZINC001088018803 1190231795 /nfs/dbraw/zinc/23/17/95/1190231795.db2.gz LVRGWXNFNKOJBJ-OAGGEKHMSA-N 2 1 359.474 0.314 20 0 FCADMP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@@H]2C1 ZINC001088018803 1190231800 /nfs/dbraw/zinc/23/18/00/1190231800.db2.gz LVRGWXNFNKOJBJ-OAGGEKHMSA-N 2 1 359.474 0.314 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000984946350 1190313995 /nfs/dbraw/zinc/31/39/95/1190313995.db2.gz NCXJUNKKRGLCJL-WCXIOVBPSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107484 1190595729 /nfs/dbraw/zinc/59/57/29/1190595729.db2.gz ZVMYSBRZALYRPG-ZACQAIPSSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107484 1190595736 /nfs/dbraw/zinc/59/57/36/1190595736.db2.gz ZVMYSBRZALYRPG-ZACQAIPSSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107484 1190595743 /nfs/dbraw/zinc/59/57/43/1190595743.db2.gz ZVMYSBRZALYRPG-ZACQAIPSSA-N 2 1 364.534 0.975 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125285 1190621662 /nfs/dbraw/zinc/62/16/62/1190621662.db2.gz CARGIJGJHRDYEX-OAGGEKHMSA-N 2 1 361.490 0.921 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125285 1190621666 /nfs/dbraw/zinc/62/16/66/1190621666.db2.gz CARGIJGJHRDYEX-OAGGEKHMSA-N 2 1 361.490 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001088335825 1190752068 /nfs/dbraw/zinc/75/20/68/1190752068.db2.gz NZSHTPPEKVNDTI-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)O1 ZINC001088335825 1190752079 /nfs/dbraw/zinc/75/20/79/1190752079.db2.gz NZSHTPPEKVNDTI-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP COC[C@@H](NC(=O)[C@@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2)C(=O)OC ZINC001276756097 1224107622 /nfs/dbraw/zinc/10/76/22/1224107622.db2.gz HWLXWIHEJXMDGN-JKSUJKDBSA-N 2 1 367.490 0.487 20 0 FCADMP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986141449 1190904777 /nfs/dbraw/zinc/90/47/77/1190904777.db2.gz OTXAGENLTNXBNZ-NRSFXHEJSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986141449 1190904779 /nfs/dbraw/zinc/90/47/79/1190904779.db2.gz OTXAGENLTNXBNZ-NRSFXHEJSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986141449 1190904780 /nfs/dbraw/zinc/90/47/80/1190904780.db2.gz OTXAGENLTNXBNZ-NRSFXHEJSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1cncn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986402895 1190973943 /nfs/dbraw/zinc/97/39/43/1190973943.db2.gz GHWIGOBOXHTNQX-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000986402895 1190973944 /nfs/dbraw/zinc/97/39/44/1190973944.db2.gz GHWIGOBOXHTNQX-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986402895 1190973946 /nfs/dbraw/zinc/97/39/46/1190973946.db2.gz GHWIGOBOXHTNQX-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001276762434 1224128514 /nfs/dbraw/zinc/12/85/14/1224128514.db2.gz LEQQMSVDMOQCKX-HNAYVOBHSA-N 2 1 364.490 0.400 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001217923283 1224132300 /nfs/dbraw/zinc/13/23/00/1224132300.db2.gz KAVAGNMXBUOFCB-GBESFXJTSA-N 2 1 363.502 0.666 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001217923283 1224132302 /nfs/dbraw/zinc/13/23/02/1224132302.db2.gz KAVAGNMXBUOFCB-GBESFXJTSA-N 2 1 363.502 0.666 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1(C)C ZINC000897440018 1191189204 /nfs/dbraw/zinc/18/92/04/1191189204.db2.gz LDXGECQXIXUVPH-UHFFFAOYSA-N 2 1 373.501 0.715 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1(C)C ZINC000897440018 1191189208 /nfs/dbraw/zinc/18/92/08/1191189208.db2.gz LDXGECQXIXUVPH-UHFFFAOYSA-N 2 1 373.501 0.715 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1cncn1C ZINC001088574675 1191213676 /nfs/dbraw/zinc/21/36/76/1191213676.db2.gz JIRAIXYOCHBCMV-ZBFHGGJFSA-N 2 1 359.478 0.571 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1cncn1C ZINC001088574675 1191213678 /nfs/dbraw/zinc/21/36/78/1191213678.db2.gz JIRAIXYOCHBCMV-ZBFHGGJFSA-N 2 1 359.478 0.571 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204492 1224147266 /nfs/dbraw/zinc/14/72/66/1224147266.db2.gz ADYMMFDTSWGQNK-RYQLBKOJSA-N 2 1 362.474 0.854 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000550653458 1193725289 /nfs/dbraw/zinc/72/52/89/1193725289.db2.gz IJEBJBJVQURMOT-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653458 1193725291 /nfs/dbraw/zinc/72/52/91/1193725291.db2.gz IJEBJBJVQURMOT-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653458 1193725292 /nfs/dbraw/zinc/72/52/92/1193725292.db2.gz IJEBJBJVQURMOT-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000550737155 1193750639 /nfs/dbraw/zinc/75/06/39/1193750639.db2.gz RVNOQEWVQGKIPF-UHFFFAOYSA-N 2 1 371.485 0.782 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C)C1 ZINC000990001440 1193777736 /nfs/dbraw/zinc/77/77/36/1193777736.db2.gz KKWXBLIGNYLJRF-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C)C1 ZINC000990001440 1193777738 /nfs/dbraw/zinc/77/77/38/1193777738.db2.gz KKWXBLIGNYLJRF-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000550878644 1193818113 /nfs/dbraw/zinc/81/81/13/1193818113.db2.gz LZJJKHXHHMSZCO-UHFFFAOYSA-N 2 1 369.554 0.364 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550946064 1193821725 /nfs/dbraw/zinc/82/17/25/1193821725.db2.gz CHNBWQRHSJFRQQ-IRXDYDNUSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000550944137 1193821959 /nfs/dbraw/zinc/82/19/59/1193821959.db2.gz XHZPBANOXOQRAX-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218557504 1224173110 /nfs/dbraw/zinc/17/31/10/1224173110.db2.gz AMELHNRMUCRTTF-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000551931188 1193876896 /nfs/dbraw/zinc/87/68/96/1193876896.db2.gz KWJVXAJWBUNJIQ-WTGUMLROSA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000551931188 1193876897 /nfs/dbraw/zinc/87/68/97/1193876897.db2.gz KWJVXAJWBUNJIQ-WTGUMLROSA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000551931188 1193876899 /nfs/dbraw/zinc/87/68/99/1193876899.db2.gz KWJVXAJWBUNJIQ-WTGUMLROSA-N 2 1 366.550 0.576 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5cncc5C4)[C@@H]3C2)cn1 ZINC001075961477 1193883586 /nfs/dbraw/zinc/88/35/86/1193883586.db2.gz PLZLNOHYDNEHRC-XYJFISCASA-N 2 1 354.458 0.912 20 0 FCADMP Cc1c(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)ccc2c[nH+]cn21 ZINC001075972703 1193888791 /nfs/dbraw/zinc/88/87/91/1193888791.db2.gz FADPQVMOPCHEAR-WMLDXEAASA-N 2 1 355.442 0.877 20 0 FCADMP Cc1c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)ccc2c[nH+]cn21 ZINC001075972703 1193888793 /nfs/dbraw/zinc/88/87/93/1193888793.db2.gz FADPQVMOPCHEAR-WMLDXEAASA-N 2 1 355.442 0.877 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(OC)n3)C[C@@H]2O)CC[N@H+]1C ZINC001083474431 1193906794 /nfs/dbraw/zinc/90/67/94/1193906794.db2.gz GXGHCIUNHCTCEA-HZMVEIRTSA-N 2 1 362.474 0.482 20 0 FCADMP CCc1noc(C)c1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474412 1193907350 /nfs/dbraw/zinc/90/73/50/1193907350.db2.gz FVNIQHPZEGSITP-LIRZEXBASA-N 2 1 364.490 0.937 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)cn2)CC1 ZINC001218580386 1224176976 /nfs/dbraw/zinc/17/69/76/1224176976.db2.gz PCWQIAQJYBEWPT-KXBFYZLASA-N 2 1 374.489 0.716 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000552495818 1193934300 /nfs/dbraw/zinc/93/43/00/1193934300.db2.gz UEJQYMNLHRVUAX-QGZVFWFLSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000552539847 1193938191 /nfs/dbraw/zinc/93/81/91/1193938191.db2.gz DAKKYOSLMXIKKN-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000552539847 1193938194 /nfs/dbraw/zinc/93/81/94/1193938194.db2.gz DAKKYOSLMXIKKN-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105668049 1193946568 /nfs/dbraw/zinc/94/65/68/1193946568.db2.gz HCJNIPAHPYKXAZ-RGCFKVTRSA-N 2 1 368.522 0.040 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552708195 1193948968 /nfs/dbraw/zinc/94/89/68/1193948968.db2.gz WUFXZDNGALJIBR-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552708195 1193948970 /nfs/dbraw/zinc/94/89/70/1193948970.db2.gz WUFXZDNGALJIBR-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000553095969 1193971768 /nfs/dbraw/zinc/97/17/68/1193971768.db2.gz SZLBTKZWFZCLHY-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001088802535 1194027704 /nfs/dbraw/zinc/02/77/04/1194027704.db2.gz LCLRCBFAUHLARA-QZWWFDLISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001088802535 1194027706 /nfs/dbraw/zinc/02/77/06/1194027706.db2.gz LCLRCBFAUHLARA-QZWWFDLISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C[C@H](O)CN1CCCC1=O ZINC001088802535 1194027711 /nfs/dbraw/zinc/02/77/11/1194027711.db2.gz LCLRCBFAUHLARA-QZWWFDLISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C[C@H](O)CN1CCCC1=O ZINC001088802535 1194027715 /nfs/dbraw/zinc/02/77/15/1194027715.db2.gz LCLRCBFAUHLARA-QZWWFDLISA-N 2 1 366.506 0.033 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645093 1224188233 /nfs/dbraw/zinc/18/82/33/1224188233.db2.gz CQEFVBICHUZNJO-HRCADAONSA-N 2 1 366.506 0.107 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645093 1224188239 /nfs/dbraw/zinc/18/82/39/1224188239.db2.gz CQEFVBICHUZNJO-HRCADAONSA-N 2 1 366.506 0.107 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645093 1224188242 /nfs/dbraw/zinc/18/82/42/1224188242.db2.gz CQEFVBICHUZNJO-HRCADAONSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188592 1194084554 /nfs/dbraw/zinc/08/45/54/1194084554.db2.gz ITHGTTBANBYRAT-PXNSSMCTSA-N 2 1 358.486 0.868 20 0 FCADMP Cc1noc(C[C@@H]2CCC[N@@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247747 1194126089 /nfs/dbraw/zinc/12/60/89/1194126089.db2.gz RGBAOYFZALTZMM-GJZGRUSLSA-N 2 1 363.462 0.712 20 0 FCADMP Cc1noc(C[C@@H]2CCC[N@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247747 1194126095 /nfs/dbraw/zinc/12/60/95/1194126095.db2.gz RGBAOYFZALTZMM-GJZGRUSLSA-N 2 1 363.462 0.712 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076047936 1194274812 /nfs/dbraw/zinc/27/48/12/1194274812.db2.gz MAKCKLAITMIUNA-CGTJXYLNSA-N 2 1 371.485 0.878 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076047936 1194274819 /nfs/dbraw/zinc/27/48/19/1194274819.db2.gz MAKCKLAITMIUNA-CGTJXYLNSA-N 2 1 371.485 0.878 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722425 1224204605 /nfs/dbraw/zinc/20/46/05/1224204605.db2.gz BGVMISKRTDCZIY-ZWKOTPCHSA-N 2 1 369.506 0.293 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722425 1224204610 /nfs/dbraw/zinc/20/46/10/1224204610.db2.gz BGVMISKRTDCZIY-ZWKOTPCHSA-N 2 1 369.506 0.293 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@@H]3C2)cc1=O ZINC001076145038 1194328154 /nfs/dbraw/zinc/32/81/54/1194328154.db2.gz QASTZIVUAVTVIZ-OKZBNKHCSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)cc1=O ZINC001076145038 1194328157 /nfs/dbraw/zinc/32/81/57/1194328157.db2.gz QASTZIVUAVTVIZ-OKZBNKHCSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001076177132 1194339525 /nfs/dbraw/zinc/33/95/25/1194339525.db2.gz MPXBIHFDNARKGY-NBOOPKSLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001076177132 1194339532 /nfs/dbraw/zinc/33/95/32/1194339532.db2.gz MPXBIHFDNARKGY-NBOOPKSLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001076177132 1194339537 /nfs/dbraw/zinc/33/95/37/1194339537.db2.gz MPXBIHFDNARKGY-NBOOPKSLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001076177132 1194339541 /nfs/dbraw/zinc/33/95/41/1194339541.db2.gz MPXBIHFDNARKGY-NBOOPKSLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001076177132 1194339547 /nfs/dbraw/zinc/33/95/47/1194339547.db2.gz MPXBIHFDNARKGY-NBOOPKSLSA-N 2 1 362.518 0.870 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001076247008 1194366019 /nfs/dbraw/zinc/36/60/19/1194366019.db2.gz UUSBYCCNFGDJML-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001076247008 1194366023 /nfs/dbraw/zinc/36/60/23/1194366023.db2.gz UUSBYCCNFGDJML-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001076247008 1194366027 /nfs/dbraw/zinc/36/60/27/1194366027.db2.gz UUSBYCCNFGDJML-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242769 1194369354 /nfs/dbraw/zinc/36/93/54/1194369354.db2.gz QUUHZEJRGVAZDT-FHLIZLRMSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242769 1194369359 /nfs/dbraw/zinc/36/93/59/1194369359.db2.gz QUUHZEJRGVAZDT-FHLIZLRMSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242769 1194369364 /nfs/dbraw/zinc/36/93/64/1194369364.db2.gz QUUHZEJRGVAZDT-FHLIZLRMSA-N 2 1 360.506 0.769 20 0 FCADMP CC[C@H](C(N)=O)N1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001276794616 1224212865 /nfs/dbraw/zinc/21/28/65/1224212865.db2.gz OQEITLOPFJJLFS-HUUCEWRRSA-N 2 1 368.522 0.314 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001076398754 1194455676 /nfs/dbraw/zinc/45/56/76/1194455676.db2.gz DDCYRAYNAOOBAX-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467053 1194500858 /nfs/dbraw/zinc/50/08/58/1194500858.db2.gz ASSYPIMXSUVHHJ-ZWKOTPCHSA-N 2 1 368.481 0.914 20 0 FCADMP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001076569454 1194575441 /nfs/dbraw/zinc/57/54/41/1194575441.db2.gz XSSNUQOEWMFNLV-FRQCXROJSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCN(C(=O)[C@@H]5CC[N@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569454 1194575444 /nfs/dbraw/zinc/57/54/44/1194575444.db2.gz XSSNUQOEWMFNLV-FRQCXROJSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCN(C(=O)[C@@H]5CC[N@@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569454 1194575448 /nfs/dbraw/zinc/57/54/48/1194575448.db2.gz XSSNUQOEWMFNLV-FRQCXROJSA-N 2 1 368.485 0.953 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218819423 1224231501 /nfs/dbraw/zinc/23/15/01/1224231501.db2.gz CTMSUZWBZNAYJA-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218819423 1224231511 /nfs/dbraw/zinc/23/15/11/1224231511.db2.gz CTMSUZWBZNAYJA-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218819801 1224232843 /nfs/dbraw/zinc/23/28/43/1224232843.db2.gz OZSKWEJYCRWJDR-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218819801 1224232846 /nfs/dbraw/zinc/23/28/46/1224232846.db2.gz OZSKWEJYCRWJDR-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218874898 1224243710 /nfs/dbraw/zinc/24/37/10/1224243710.db2.gz ZGCNQGDUMSGWKD-INIZCTEOSA-N 2 1 363.506 0.586 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001218918112 1224257418 /nfs/dbraw/zinc/25/74/18/1224257418.db2.gz BRQOAOGTNBBCLI-DLBZAZTESA-N 2 1 364.494 0.148 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001218918112 1224257425 /nfs/dbraw/zinc/25/74/25/1224257425.db2.gz BRQOAOGTNBBCLI-DLBZAZTESA-N 2 1 364.494 0.148 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001218918112 1224257430 /nfs/dbraw/zinc/25/74/30/1224257430.db2.gz BRQOAOGTNBBCLI-DLBZAZTESA-N 2 1 364.494 0.148 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001218918112 1224257436 /nfs/dbraw/zinc/25/74/36/1224257436.db2.gz BRQOAOGTNBBCLI-DLBZAZTESA-N 2 1 364.494 0.148 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001076986036 1195115213 /nfs/dbraw/zinc/11/52/13/1195115213.db2.gz HUVVUPCMVDBBRV-OWCLPIDISA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001076986036 1195115223 /nfs/dbraw/zinc/11/52/23/1195115223.db2.gz HUVVUPCMVDBBRV-OWCLPIDISA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076986036 1195115230 /nfs/dbraw/zinc/11/52/30/1195115230.db2.gz HUVVUPCMVDBBRV-OWCLPIDISA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076986036 1195115242 /nfs/dbraw/zinc/11/52/42/1195115242.db2.gz HUVVUPCMVDBBRV-OWCLPIDISA-N 2 1 365.478 0.345 20 0 FCADMP Cc1cnc2cc(C(=O)N[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@H]3O)ccn12 ZINC001076996833 1195135232 /nfs/dbraw/zinc/13/52/32/1195135232.db2.gz PWJAKBSPWRXLTQ-IAGOWNOFSA-N 2 1 368.441 0.394 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)n1 ZINC001077007158 1195141832 /nfs/dbraw/zinc/14/18/32/1195141832.db2.gz BDEFHFKZWRGOKH-IPMKNSEASA-N 2 1 358.486 0.702 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)n1 ZINC001077007158 1195141838 /nfs/dbraw/zinc/14/18/38/1195141838.db2.gz BDEFHFKZWRGOKH-IPMKNSEASA-N 2 1 358.486 0.702 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CCC1 ZINC001083563561 1195222337 /nfs/dbraw/zinc/22/23/37/1195222337.db2.gz VQHBGJRGJRUZOQ-FGTMMUONSA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCCc2nccn21 ZINC001077130920 1195246567 /nfs/dbraw/zinc/24/65/67/1195246567.db2.gz JJTATUOMIAZYDF-KZNAEPCWSA-N 2 1 370.453 0.614 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@@H]2O)O1 ZINC001083565104 1195256409 /nfs/dbraw/zinc/25/64/09/1195256409.db2.gz BFSPWJYAALZYAI-OQIJWPOYSA-N 2 1 361.486 0.500 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@@H]2O)O1 ZINC001083565104 1195256415 /nfs/dbraw/zinc/25/64/15/1195256415.db2.gz BFSPWJYAALZYAI-OQIJWPOYSA-N 2 1 361.486 0.500 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2O)O1 ZINC001083565104 1195256419 /nfs/dbraw/zinc/25/64/19/1195256419.db2.gz BFSPWJYAALZYAI-OQIJWPOYSA-N 2 1 361.486 0.500 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2O)O1 ZINC001083565104 1195256425 /nfs/dbraw/zinc/25/64/25/1195256425.db2.gz BFSPWJYAALZYAI-OQIJWPOYSA-N 2 1 361.486 0.500 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219419 1195328507 /nfs/dbraw/zinc/32/85/07/1195328507.db2.gz QDDAQLXBMWSHJI-KZNAEPCWSA-N 2 1 365.518 0.983 20 0 FCADMP CC(C)N(C)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965256 1224273953 /nfs/dbraw/zinc/27/39/53/1224273953.db2.gz IHWVLYIDPFSQFP-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(CC)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218964919 1224274196 /nfs/dbraw/zinc/27/41/96/1224274196.db2.gz AGADCLYEEVBWAG-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299485 1195398579 /nfs/dbraw/zinc/39/85/79/1195398579.db2.gz DDJVTXAMKMCARW-FGTMMUONSA-N 2 1 365.518 0.717 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001077300048 1195399858 /nfs/dbraw/zinc/39/98/58/1195399858.db2.gz VEVMLBVDGOFMRZ-HUUCEWRRSA-N 2 1 363.462 0.100 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001077300048 1195399863 /nfs/dbraw/zinc/39/98/63/1195399863.db2.gz VEVMLBVDGOFMRZ-HUUCEWRRSA-N 2 1 363.462 0.100 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 ZINC001219004243 1224285531 /nfs/dbraw/zinc/28/55/31/1224285531.db2.gz BZFQCPYSKBYEJT-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001219004243 1224285541 /nfs/dbraw/zinc/28/55/41/1224285541.db2.gz BZFQCPYSKBYEJT-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001219004243 1224285547 /nfs/dbraw/zinc/28/55/47/1224285547.db2.gz BZFQCPYSKBYEJT-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001219004243 1224285554 /nfs/dbraw/zinc/28/55/54/1224285554.db2.gz BZFQCPYSKBYEJT-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001219004243 1224285560 /nfs/dbraw/zinc/28/55/60/1224285560.db2.gz BZFQCPYSKBYEJT-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418743 1195517466 /nfs/dbraw/zinc/51/74/66/1195517466.db2.gz ZAOLWDYTFYAULT-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418743 1195517473 /nfs/dbraw/zinc/51/74/73/1195517473.db2.gz ZAOLWDYTFYAULT-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418743 1195517476 /nfs/dbraw/zinc/51/74/76/1195517476.db2.gz ZAOLWDYTFYAULT-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607096 1195682661 /nfs/dbraw/zinc/68/26/61/1195682661.db2.gz FRXCLTIKHCQIQB-XYPHTWIQSA-N 2 1 371.441 0.026 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000911131833 1195894508 /nfs/dbraw/zinc/89/45/08/1195894508.db2.gz YNTQUWBGZCODNE-INIZCTEOSA-N 2 1 374.485 0.332 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000911240966 1195921464 /nfs/dbraw/zinc/92/14/64/1195921464.db2.gz BTOIKIMNMIOTEJ-KANFNMMFSA-N 2 1 370.497 0.834 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000911366266 1195948232 /nfs/dbraw/zinc/94/82/32/1195948232.db2.gz ZRFMAMHEVBECIN-OAHLLOKOSA-N 2 1 366.506 0.109 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)[nH+]1 ZINC000911365955 1195948436 /nfs/dbraw/zinc/94/84/36/1195948436.db2.gz XZKCYSANPJNGQE-KRWDZBQOSA-N 2 1 367.453 0.749 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358242 1196319009 /nfs/dbraw/zinc/31/90/09/1196319009.db2.gz IAQRTIZPBLDCMF-MYZZLAAOSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cncn2C)CC3)O1 ZINC000991358242 1196319014 /nfs/dbraw/zinc/31/90/14/1196319014.db2.gz IAQRTIZPBLDCMF-MYZZLAAOSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CC(=O)N2CCC2)CC3)O1 ZINC000991363935 1196327216 /nfs/dbraw/zinc/32/72/16/1196327216.db2.gz ZXIUKJSIFAEEFR-OAFZBRQQSA-N 2 1 364.490 0.051 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC([NH+]2CCCC2)C1 ZINC000912325186 1196340094 /nfs/dbraw/zinc/34/00/94/1196340094.db2.gz RGGLPLSQJKEOHR-KRWDZBQOSA-N 2 1 364.490 0.006 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654353 1196347386 /nfs/dbraw/zinc/34/73/86/1196347386.db2.gz KCYXZAAGZJYHEF-OITNMJJTSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654353 1196347391 /nfs/dbraw/zinc/34/73/91/1196347391.db2.gz KCYXZAAGZJYHEF-OITNMJJTSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654353 1196347397 /nfs/dbraw/zinc/34/73/97/1196347397.db2.gz KCYXZAAGZJYHEF-OITNMJJTSA-N 2 1 371.481 0.520 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000991426413 1196393877 /nfs/dbraw/zinc/39/38/77/1196393877.db2.gz ASVZWAVMWBNRAQ-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000991426413 1196393881 /nfs/dbraw/zinc/39/38/81/1196393881.db2.gz ASVZWAVMWBNRAQ-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000991426413 1196393888 /nfs/dbraw/zinc/39/38/88/1196393888.db2.gz ASVZWAVMWBNRAQ-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000991426413 1196393892 /nfs/dbraw/zinc/39/38/92/1196393892.db2.gz ASVZWAVMWBNRAQ-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960877 1196601732 /nfs/dbraw/zinc/60/17/32/1196601732.db2.gz FZDXVDACZGHGHO-HZPDHXFCSA-N 2 1 362.522 0.723 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001105946534 1196750105 /nfs/dbraw/zinc/75/01/05/1196750105.db2.gz WYXXLKBWPOCQBN-BFYDXBDKSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001105945344 1196750506 /nfs/dbraw/zinc/75/05/06/1196750506.db2.gz UDEHWFHHAGZLNM-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1ccnc1C(N)=[NH2+] ZINC001168409430 1196761249 /nfs/dbraw/zinc/76/12/49/1196761249.db2.gz BZPWSWAHEQBVJD-LBPRGKRZSA-N 2 1 374.445 0.657 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974451 1196761869 /nfs/dbraw/zinc/76/18/69/1196761869.db2.gz WRDUVFKEZQWZIV-ZTFGCOKTSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974451 1196761876 /nfs/dbraw/zinc/76/18/76/1196761876.db2.gz WRDUVFKEZQWZIV-ZTFGCOKTSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974444 1196762199 /nfs/dbraw/zinc/76/21/99/1196762199.db2.gz WRDUVFKEZQWZIV-OLMNPRSZSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001105974444 1196762202 /nfs/dbraw/zinc/76/22/02/1196762202.db2.gz WRDUVFKEZQWZIV-OLMNPRSZSA-N 2 1 363.506 0.515 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CCn1cncn1 ZINC001088944881 1196845036 /nfs/dbraw/zinc/84/50/36/1196845036.db2.gz FBMXYMBGKSYSIL-PBHICJAKSA-N 2 1 366.429 0.752 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CCn1cncn1 ZINC001088944881 1196845037 /nfs/dbraw/zinc/84/50/37/1196845037.db2.gz FBMXYMBGKSYSIL-PBHICJAKSA-N 2 1 366.429 0.752 20 0 FCADMP O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)c1nnn2c1C[NH2+]CC2 ZINC001219307471 1224420661 /nfs/dbraw/zinc/42/06/61/1224420661.db2.gz YHEGBGDUJKEWRH-UHFFFAOYSA-N 2 1 360.393 0.904 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1 ZINC000992839233 1197544214 /nfs/dbraw/zinc/54/42/14/1197544214.db2.gz IQWZZNAZBURILH-QMTMVMCOSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992950992 1197628188 /nfs/dbraw/zinc/62/81/88/1197628188.db2.gz GLFIATVKIAOHCQ-FUHIMQAGSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992951022 1197628811 /nfs/dbraw/zinc/62/88/11/1197628811.db2.gz HRPXXVMEFULIGR-ABSDTBQOSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CCC1 ZINC000992955147 1197629360 /nfs/dbraw/zinc/62/93/60/1197629360.db2.gz ZZJWYCOVARWQDN-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085275969 1197783214 /nfs/dbraw/zinc/78/32/14/1197783214.db2.gz JYMDBUNPNFGHBL-FMKPAKJESA-N 2 1 359.474 0.667 20 0 FCADMP Cc1nnc(CN(CCO)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001098371023 1197795158 /nfs/dbraw/zinc/79/51/58/1197795158.db2.gz GLLQPWIXZRMIHO-CZUORRHYSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nnc(C[NH+](CCO)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001098371023 1197795167 /nfs/dbraw/zinc/79/51/67/1197795167.db2.gz GLLQPWIXZRMIHO-CZUORRHYSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nnc(C[NH+](CCO)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001098371023 1197795176 /nfs/dbraw/zinc/79/51/76/1197795176.db2.gz GLLQPWIXZRMIHO-CZUORRHYSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nnc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)o1 ZINC001098371023 1197795186 /nfs/dbraw/zinc/79/51/86/1197795186.db2.gz GLLQPWIXZRMIHO-CZUORRHYSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nnc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)o1 ZINC001098371023 1197795194 /nfs/dbraw/zinc/79/51/94/1197795194.db2.gz GLLQPWIXZRMIHO-CZUORRHYSA-N 2 1 365.478 0.504 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085332269 1197825290 /nfs/dbraw/zinc/82/52/90/1197825290.db2.gz QRGQHXWEKSHUFV-RBSFLKMASA-N 2 1 365.478 0.040 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085352401 1197837264 /nfs/dbraw/zinc/83/72/64/1197837264.db2.gz FWAFECZIXSGDAO-OAGGEKHMSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085352401 1197837266 /nfs/dbraw/zinc/83/72/66/1197837266.db2.gz FWAFECZIXSGDAO-OAGGEKHMSA-N 2 1 363.510 0.990 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322096 1197865013 /nfs/dbraw/zinc/86/50/13/1197865013.db2.gz JFWPJSVWQVAMIQ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106322410 1197865114 /nfs/dbraw/zinc/86/51/14/1197865114.db2.gz OBYNEZCSBAPAHK-KFWWJZLASA-N 2 1 363.462 0.782 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106339877 1197870101 /nfs/dbraw/zinc/87/01/01/1197870101.db2.gz DAGYHUZSBIANSQ-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431908 1197921606 /nfs/dbraw/zinc/92/16/06/1197921606.db2.gz LFUIALZROZDSCF-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453832 1197934952 /nfs/dbraw/zinc/93/49/52/1197934952.db2.gz ZSHIGTSZIUPSRO-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCN2CCCC2=O)O1 ZINC001085667629 1197978769 /nfs/dbraw/zinc/97/87/69/1197978769.db2.gz MAOPGOWBQDTGJA-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCN2CCCC2=O)O1 ZINC001085667629 1197978777 /nfs/dbraw/zinc/97/87/77/1197978777.db2.gz MAOPGOWBQDTGJA-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCN2CCCC2=O)O1 ZINC001085667629 1197978782 /nfs/dbraw/zinc/97/87/82/1197978782.db2.gz MAOPGOWBQDTGJA-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCN2CCCC2=O)O1 ZINC001085667629 1197978798 /nfs/dbraw/zinc/97/87/98/1197978798.db2.gz MAOPGOWBQDTGJA-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321059 1197981783 /nfs/dbraw/zinc/98/17/83/1197981783.db2.gz FRCRDWDFXXCRMT-OAGGEKHMSA-N 2 1 368.457 0.090 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321059 1197981788 /nfs/dbraw/zinc/98/17/88/1197981788.db2.gz FRCRDWDFXXCRMT-OAGGEKHMSA-N 2 1 368.457 0.090 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577176 1198020630 /nfs/dbraw/zinc/02/06/30/1198020630.db2.gz DEHKSDXQFUEXHX-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577176 1198020639 /nfs/dbraw/zinc/02/06/39/1198020639.db2.gz DEHKSDXQFUEXHX-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)CC2 ZINC001106590932 1198025468 /nfs/dbraw/zinc/02/54/68/1198025468.db2.gz FSURDZVWTKEJJC-DJIMGWMZSA-N 2 1 364.490 0.447 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000742267474 1198169257 /nfs/dbraw/zinc/16/92/57/1198169257.db2.gz QRXKQCPLKSOINO-CVEARBPZSA-N 2 1 364.490 0.543 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000742267474 1198169262 /nfs/dbraw/zinc/16/92/62/1198169262.db2.gz QRXKQCPLKSOINO-CVEARBPZSA-N 2 1 364.490 0.543 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1)C(C)C ZINC001129326489 1198171461 /nfs/dbraw/zinc/17/14/61/1198171461.db2.gz IXUWDKGBAONVLS-IXDOHACOSA-N 2 1 366.510 0.632 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1)C(C)C ZINC001129326489 1198171475 /nfs/dbraw/zinc/17/14/75/1198171475.db2.gz IXUWDKGBAONVLS-IXDOHACOSA-N 2 1 366.510 0.632 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086371724 1198333759 /nfs/dbraw/zinc/33/37/59/1198333759.db2.gz UPNVXZHRKINESW-HCZIRCDUSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086371724 1198333770 /nfs/dbraw/zinc/33/37/70/1198333770.db2.gz UPNVXZHRKINESW-HCZIRCDUSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006329176 1198997424 /nfs/dbraw/zinc/99/74/24/1198997424.db2.gz BJVVNWUHVGNBSQ-IIAWOOMASA-N 2 1 366.506 0.153 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCC2 ZINC001169096910 1199046331 /nfs/dbraw/zinc/04/63/31/1199046331.db2.gz ZRFLDYCMQBLTLW-YVSFHVDLSA-N 2 1 361.490 0.800 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCC2 ZINC001169096910 1199046332 /nfs/dbraw/zinc/04/63/32/1199046332.db2.gz ZRFLDYCMQBLTLW-YVSFHVDLSA-N 2 1 361.490 0.800 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129337400 1199076529 /nfs/dbraw/zinc/07/65/29/1199076529.db2.gz GNMIUSQYKAXABU-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129342383 1199086365 /nfs/dbraw/zinc/08/63/65/1199086365.db2.gz KWYLKSVCWRPBMP-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129342383 1199086372 /nfs/dbraw/zinc/08/63/72/1199086372.db2.gz KWYLKSVCWRPBMP-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348550 1199095595 /nfs/dbraw/zinc/09/55/95/1199095595.db2.gz SPEYIEBUYHZCBS-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001219724758 1224578145 /nfs/dbraw/zinc/57/81/45/1224578145.db2.gz ZVTFMMGMPLBHOZ-KURKYZTESA-N 2 1 367.465 0.907 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001219724758 1224578152 /nfs/dbraw/zinc/57/81/52/1224578152.db2.gz ZVTFMMGMPLBHOZ-KURKYZTESA-N 2 1 367.465 0.907 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109447150 1200291030 /nfs/dbraw/zinc/29/10/30/1200291030.db2.gz CNZQZZSSNKZQLU-IKGGRYGDSA-N 2 1 369.506 0.075 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668901 1200457564 /nfs/dbraw/zinc/45/75/64/1200457564.db2.gz GMIIXGBASOJQBS-OWSLCNJRSA-N 2 1 369.506 0.074 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001109714876 1200472905 /nfs/dbraw/zinc/47/29/05/1200472905.db2.gz ZSFFBFCVSXELQI-QZWWFDLISA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001109714876 1200472911 /nfs/dbraw/zinc/47/29/11/1200472911.db2.gz ZSFFBFCVSXELQI-QZWWFDLISA-N 2 1 365.522 0.854 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001219794784 1224616137 /nfs/dbraw/zinc/61/61/37/1224616137.db2.gz ONMGWAMHYNYFKM-KURKYZTESA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001219794784 1224616141 /nfs/dbraw/zinc/61/61/41/1224616141.db2.gz ONMGWAMHYNYFKM-KURKYZTESA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001219794784 1224616150 /nfs/dbraw/zinc/61/61/50/1224616150.db2.gz ONMGWAMHYNYFKM-KURKYZTESA-N 2 1 371.497 0.931 20 0 FCADMP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219798522 1224618362 /nfs/dbraw/zinc/61/83/62/1224618362.db2.gz VQNVZMCBJJYACT-QGZVFWFLSA-N 3 1 373.501 0.769 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cc1 ZINC001219802537 1224621036 /nfs/dbraw/zinc/62/10/36/1224621036.db2.gz SNVVOCZWYIQAOD-MSOLQXFVSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cc1 ZINC001219802537 1224621040 /nfs/dbraw/zinc/62/10/40/1224621040.db2.gz SNVVOCZWYIQAOD-MSOLQXFVSA-N 2 1 361.486 0.979 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980137 1200663187 /nfs/dbraw/zinc/66/31/87/1200663187.db2.gz JTVGBYXMHVMEIM-BDXSIMOUSA-N 2 1 371.522 0.320 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110019185 1200708903 /nfs/dbraw/zinc/70/89/03/1200708903.db2.gz JQFHHLBUGJZUAN-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814008 1224629700 /nfs/dbraw/zinc/62/97/00/1224629700.db2.gz OCTAQNGHFFXRBM-PMPSAXMXSA-N 2 1 366.506 0.031 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814007 1224630122 /nfs/dbraw/zinc/63/01/22/1224630122.db2.gz OCTAQNGHFFXRBM-OAGGEKHMSA-N 2 1 366.506 0.031 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546325 1200768308 /nfs/dbraw/zinc/76/83/08/1200768308.db2.gz GDAOMZCQJYLYQV-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815899 1224631772 /nfs/dbraw/zinc/63/17/72/1224631772.db2.gz QAXRVXYQJGZPIC-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815899 1224631775 /nfs/dbraw/zinc/63/17/75/1224631775.db2.gz QAXRVXYQJGZPIC-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815899 1224631777 /nfs/dbraw/zinc/63/17/77/1224631777.db2.gz QAXRVXYQJGZPIC-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815899 1224631778 /nfs/dbraw/zinc/63/17/78/1224631778.db2.gz QAXRVXYQJGZPIC-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001112567422 1200801890 /nfs/dbraw/zinc/80/18/90/1200801890.db2.gz OHJMUYZVRZDWBS-KSSFIOAISA-N 2 1 364.494 0.169 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112568074 1200801996 /nfs/dbraw/zinc/80/19/96/1200801996.db2.gz WOQAHHSSOIJZPD-LPHOPBHVSA-N 2 1 365.522 0.572 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001112578392 1200816705 /nfs/dbraw/zinc/81/67/05/1200816705.db2.gz MQKRVPAPEYWWBS-UWVAXJGDSA-N 2 1 362.518 0.683 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCCC3=O)C2)C1 ZINC001112579149 1200818186 /nfs/dbraw/zinc/81/81/86/1200818186.db2.gz YNOLWUBIXGXNOJ-ZWOKBUDYSA-N 2 1 362.518 0.779 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000787486419 1200888731 /nfs/dbraw/zinc/88/87/31/1200888731.db2.gz QYIHYZWCMHSWNY-CJNGLKHVSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000787486419 1200888735 /nfs/dbraw/zinc/88/87/35/1200888735.db2.gz QYIHYZWCMHSWNY-CJNGLKHVSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000787486417 1200889043 /nfs/dbraw/zinc/88/90/43/1200889043.db2.gz QYIHYZWCMHSWNY-BBRMVZONSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000787486417 1200889045 /nfs/dbraw/zinc/88/90/45/1200889045.db2.gz QYIHYZWCMHSWNY-BBRMVZONSA-N 2 1 370.457 0.791 20 0 FCADMP O=C1O[C@@]2(CN1C[NH+]1CCC(Cn3cncn3)CC1)C[NH+]1CCC2CC1 ZINC000790386786 1201071652 /nfs/dbraw/zinc/07/16/52/1201071652.db2.gz PKTYNHBUNATQKQ-GOSISDBHSA-N 2 1 360.462 0.864 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2c2ccccc2)n1 ZINC001086588806 1201096255 /nfs/dbraw/zinc/09/62/55/1201096255.db2.gz PFVOABFGOIWITD-PKOBYXMFSA-N 2 1 371.485 0.635 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219848128 1224652723 /nfs/dbraw/zinc/65/27/23/1224652723.db2.gz HCDFPBCWEDRJAE-SQNIBIBYSA-N 2 1 367.465 0.952 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219848128 1224652729 /nfs/dbraw/zinc/65/27/29/1224652729.db2.gz HCDFPBCWEDRJAE-SQNIBIBYSA-N 2 1 367.465 0.952 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](O)C1 ZINC001219853150 1224654837 /nfs/dbraw/zinc/65/48/37/1224654837.db2.gz HLLGOMUAYKPBSS-IKGGRYGDSA-N 2 1 368.478 0.295 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407193 1201296496 /nfs/dbraw/zinc/29/64/96/1201296496.db2.gz IAPMODDPANEYFV-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407193 1201296504 /nfs/dbraw/zinc/29/65/04/1201296504.db2.gz IAPMODDPANEYFV-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407193 1201296510 /nfs/dbraw/zinc/29/65/10/1201296510.db2.gz IAPMODDPANEYFV-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129407970 1201298327 /nfs/dbraw/zinc/29/83/27/1201298327.db2.gz YVWFNJNYUJKUCL-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129407970 1201298334 /nfs/dbraw/zinc/29/83/34/1201298334.db2.gz YVWFNJNYUJKUCL-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129407970 1201298340 /nfs/dbraw/zinc/29/83/40/1201298340.db2.gz YVWFNJNYUJKUCL-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129407970 1201298344 /nfs/dbraw/zinc/29/83/44/1201298344.db2.gz YVWFNJNYUJKUCL-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400423 1201305908 /nfs/dbraw/zinc/30/59/08/1201305908.db2.gz NPQCBDNCOZGGGJ-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400423 1201305913 /nfs/dbraw/zinc/30/59/13/1201305913.db2.gz NPQCBDNCOZGGGJ-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400423 1201305916 /nfs/dbraw/zinc/30/59/16/1201305916.db2.gz NPQCBDNCOZGGGJ-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485114 1201331055 /nfs/dbraw/zinc/33/10/55/1201331055.db2.gz WBRCICPZQQFWNR-BBWFWOEESA-N 2 1 364.494 0.267 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624003 1201358130 /nfs/dbraw/zinc/35/81/30/1201358130.db2.gz IVJULPCAJWSDOP-NZSAHSFTSA-N 2 1 370.497 0.801 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624003 1201358136 /nfs/dbraw/zinc/35/81/36/1201358136.db2.gz IVJULPCAJWSDOP-NZSAHSFTSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624003 1201358146 /nfs/dbraw/zinc/35/81/46/1201358146.db2.gz IVJULPCAJWSDOP-NZSAHSFTSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2c2ccccc2)C1 ZINC001086624003 1201358153 /nfs/dbraw/zinc/35/81/53/1201358153.db2.gz IVJULPCAJWSDOP-NZSAHSFTSA-N 2 1 370.497 0.801 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880147 1224669614 /nfs/dbraw/zinc/66/96/14/1224669614.db2.gz YCUSTWPHDOOANR-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880147 1224669618 /nfs/dbraw/zinc/66/96/18/1224669618.db2.gz YCUSTWPHDOOANR-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880147 1224669625 /nfs/dbraw/zinc/66/96/25/1224669625.db2.gz YCUSTWPHDOOANR-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219880147 1224669630 /nfs/dbraw/zinc/66/96/30/1224669630.db2.gz YCUSTWPHDOOANR-ZACQAIPSSA-N 2 1 364.494 0.094 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129716820 1201376392 /nfs/dbraw/zinc/37/63/92/1201376392.db2.gz CIJRCYDQTLTABV-OWCLPIDISA-N 2 1 364.494 0.386 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129716820 1201376394 /nfs/dbraw/zinc/37/63/94/1201376394.db2.gz CIJRCYDQTLTABV-OWCLPIDISA-N 2 1 364.494 0.386 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129918500 1201440086 /nfs/dbraw/zinc/44/00/86/1201440086.db2.gz ARLKALMZSRWLRQ-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980428 1201460928 /nfs/dbraw/zinc/46/09/28/1201460928.db2.gz KOSUBPUCASTMGE-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012139 1201471197 /nfs/dbraw/zinc/47/11/97/1201471197.db2.gz QVCKVRIZIZEYMC-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040733 1201478172 /nfs/dbraw/zinc/47/81/72/1201478172.db2.gz JOISTSQLDBYNJV-OAGGEKHMSA-N 2 1 368.457 0.090 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001219906086 1224677456 /nfs/dbraw/zinc/67/74/56/1224677456.db2.gz CYHFDWOECHBNBV-CVEARBPZSA-N 2 1 362.474 0.177 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001219906086 1224677459 /nfs/dbraw/zinc/67/74/59/1224677459.db2.gz CYHFDWOECHBNBV-CVEARBPZSA-N 2 1 362.474 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001219906086 1224677461 /nfs/dbraw/zinc/67/74/61/1224677461.db2.gz CYHFDWOECHBNBV-CVEARBPZSA-N 2 1 362.474 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001219906086 1224677463 /nfs/dbraw/zinc/67/74/63/1224677463.db2.gz CYHFDWOECHBNBV-CVEARBPZSA-N 2 1 362.474 0.177 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130097032 1201499160 /nfs/dbraw/zinc/49/91/60/1201499160.db2.gz ZBRQHRGEKQQEIZ-MSOLQXFVSA-N 2 1 371.489 0.947 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130097032 1201499162 /nfs/dbraw/zinc/49/91/62/1201499162.db2.gz ZBRQHRGEKQQEIZ-MSOLQXFVSA-N 2 1 371.489 0.947 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130107554 1201503198 /nfs/dbraw/zinc/50/31/98/1201503198.db2.gz QXHMNAODCKOKFT-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130107397 1201503224 /nfs/dbraw/zinc/50/32/24/1201503224.db2.gz OFYNZNZDGXIGFZ-CABCVRRESA-N 2 1 361.450 0.458 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130107397 1201503227 /nfs/dbraw/zinc/50/32/27/1201503227.db2.gz OFYNZNZDGXIGFZ-CABCVRRESA-N 2 1 361.450 0.458 20 0 FCADMP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123262 1201511468 /nfs/dbraw/zinc/51/14/68/1201511468.db2.gz LOHMTIJOEFULHM-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132918 1201512969 /nfs/dbraw/zinc/51/29/69/1201512969.db2.gz WLNZSNLEDXGVSM-IKGGRYGDSA-N 2 1 362.478 0.307 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132918 1201512972 /nfs/dbraw/zinc/51/29/72/1201512972.db2.gz WLNZSNLEDXGVSM-IKGGRYGDSA-N 2 1 362.478 0.307 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130137330 1201515486 /nfs/dbraw/zinc/51/54/86/1201515486.db2.gz UFWHELZEUUCPKM-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCC2=CCCCC2)O1 ZINC001130182626 1201535338 /nfs/dbraw/zinc/53/53/38/1201535338.db2.gz QAQQNMJJSSKRNA-NVXWUHKLSA-N 2 1 366.506 0.418 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCC2=CCCCC2)O1 ZINC001130182626 1201535341 /nfs/dbraw/zinc/53/53/41/1201535341.db2.gz QAQQNMJJSSKRNA-NVXWUHKLSA-N 2 1 366.506 0.418 20 0 FCADMP Cc1cccc(OC[C@@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184508 1201536809 /nfs/dbraw/zinc/53/68/09/1201536809.db2.gz SVZOJNPWYPIPNL-SOLBZPMBSA-N 2 1 365.474 0.160 20 0 FCADMP Cc1cccc(OC[C@@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184508 1201536814 /nfs/dbraw/zinc/53/68/14/1201536814.db2.gz SVZOJNPWYPIPNL-SOLBZPMBSA-N 2 1 365.474 0.160 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1F ZINC001130184649 1201536859 /nfs/dbraw/zinc/53/68/59/1201536859.db2.gz WTJSINKJOANOKD-XJKCOSOUSA-N 2 1 366.437 0.578 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1F ZINC001130184649 1201536867 /nfs/dbraw/zinc/53/68/67/1201536867.db2.gz WTJSINKJOANOKD-XJKCOSOUSA-N 2 1 366.437 0.578 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001130238039 1201560251 /nfs/dbraw/zinc/56/02/51/1201560251.db2.gz QAQIGNDWXARQJN-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001130238039 1201560253 /nfs/dbraw/zinc/56/02/53/1201560253.db2.gz QAQIGNDWXARQJN-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001130238039 1201560255 /nfs/dbraw/zinc/56/02/55/1201560255.db2.gz QAQIGNDWXARQJN-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130248959 1201568517 /nfs/dbraw/zinc/56/85/17/1201568517.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1 ZINC001130248959 1201568520 /nfs/dbraw/zinc/56/85/20/1201568520.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1 ZINC001130248959 1201568523 /nfs/dbraw/zinc/56/85/23/1201568523.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130293043 1201578739 /nfs/dbraw/zinc/57/87/39/1201578739.db2.gz JYTWRAUPKCUMDB-WBVHZDCISA-N 2 1 368.522 0.184 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130307077 1201581788 /nfs/dbraw/zinc/58/17/88/1201581788.db2.gz HYZIYHPEAZXPEK-APWZRJJASA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555784 1202715438 /nfs/dbraw/zinc/71/54/38/1202715438.db2.gz KTFNOMJVCSKFRO-CGTJXYLNSA-N 2 1 361.490 0.601 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555784 1202715443 /nfs/dbraw/zinc/71/54/43/1202715443.db2.gz KTFNOMJVCSKFRO-CGTJXYLNSA-N 2 1 361.490 0.601 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061195 1224741504 /nfs/dbraw/zinc/74/15/04/1224741504.db2.gz CBAYXUCRYSPXMY-MOPGFXCFSA-N 2 1 363.502 0.991 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130627226 1202735885 /nfs/dbraw/zinc/73/58/85/1202735885.db2.gz ZSWJJZHMPKCSFH-YQQAZPJKSA-N 2 1 360.462 0.544 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001220071669 1224743759 /nfs/dbraw/zinc/74/37/59/1224743759.db2.gz MUEUEUKWUWTYAK-AUUYWEPGSA-N 2 1 351.410 0.698 20 0 FCADMP CO[C@@H](C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802427 1202803882 /nfs/dbraw/zinc/80/38/82/1202803882.db2.gz UDMBJOMFHVAIAB-MELADBBJSA-N 2 1 368.482 0.217 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008167 1202842008 /nfs/dbraw/zinc/84/20/08/1202842008.db2.gz UYILAACSOOBTMP-DJIMGWMZSA-N 2 1 363.506 0.823 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)co1 ZINC001131062005 1202854128 /nfs/dbraw/zinc/85/41/28/1202854128.db2.gz QUFBWICXQKRWOP-HZPDHXFCSA-N 2 1 360.462 0.752 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108029 1202864064 /nfs/dbraw/zinc/86/40/64/1202864064.db2.gz GSRRIRCLHMEHJO-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cncn1C ZINC001131115541 1202864723 /nfs/dbraw/zinc/86/47/23/1202864723.db2.gz RIAUTUXUGITSSW-MDZRGWNJSA-N 2 1 361.490 0.436 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121355 1202865935 /nfs/dbraw/zinc/86/59/35/1202865935.db2.gz UKASULARUXICOZ-NUEKZKHPSA-N 2 1 360.462 0.544 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316716 1202885784 /nfs/dbraw/zinc/88/57/84/1202885784.db2.gz STLOHLUBRYCMDV-XHSDSOJGSA-N 2 1 368.478 0.079 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086664977 1202887015 /nfs/dbraw/zinc/88/70/15/1202887015.db2.gz LFEQZWFUDBJEAQ-BBWFWOEESA-N 2 1 364.494 0.100 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086664977 1202887017 /nfs/dbraw/zinc/88/70/17/1202887017.db2.gz LFEQZWFUDBJEAQ-BBWFWOEESA-N 2 1 364.494 0.100 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131313316 1202887291 /nfs/dbraw/zinc/88/72/91/1202887291.db2.gz NWRPYVWOCOSIBU-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131313317 1202887987 /nfs/dbraw/zinc/88/79/87/1202887987.db2.gz NWRPYVWOCOSIBU-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001131561965 1202914547 /nfs/dbraw/zinc/91/45/47/1202914547.db2.gz HSJSYEXGVLYYMC-GMBSWORKSA-N 2 1 366.506 0.202 20 0 FCADMP COC(=O)CC[C@]1(C)NC(=O)N(CN(C)CCCn2cc[nH+]c2C)C1=O ZINC000811761116 1202973156 /nfs/dbraw/zinc/97/31/56/1202973156.db2.gz ZWLVAIRQANGMAA-KRWDZBQOSA-N 2 1 365.434 0.735 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086716921 1203012776 /nfs/dbraw/zinc/01/27/76/1203012776.db2.gz XPFKVCLYAIHMQS-HRCADAONSA-N 2 1 363.510 0.563 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086716921 1203012779 /nfs/dbraw/zinc/01/27/79/1203012779.db2.gz XPFKVCLYAIHMQS-HRCADAONSA-N 2 1 363.510 0.563 20 0 FCADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001134126271 1203015709 /nfs/dbraw/zinc/01/57/09/1203015709.db2.gz IWMODZRSTHVQRP-MSOLQXFVSA-N 2 1 356.474 0.849 20 0 FCADMP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001134126271 1203015711 /nfs/dbraw/zinc/01/57/11/1203015711.db2.gz IWMODZRSTHVQRP-MSOLQXFVSA-N 2 1 356.474 0.849 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086763149 1203084630 /nfs/dbraw/zinc/08/46/30/1203084630.db2.gz UWTVBPLFONZIBH-XEBSJPFGSA-N 2 1 371.485 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086785295 1203092482 /nfs/dbraw/zinc/09/24/82/1203092482.db2.gz RXCAITAGJWJWBM-UXLLHSPISA-N 2 1 364.494 0.299 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnn(C)n3)C1)C2 ZINC001086802842 1203101436 /nfs/dbraw/zinc/10/14/36/1203101436.db2.gz CTRHLJSTSIWVEL-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001170870976 1203106705 /nfs/dbraw/zinc/10/67/05/1203106705.db2.gz WFTBNSHNJAEXMP-HUUCEWRRSA-N 3 1 362.478 0.523 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)CC1 ZINC001086841969 1203200649 /nfs/dbraw/zinc/20/06/49/1203200649.db2.gz HKXMJHAYHSHEOQ-GOEBONIOSA-N 2 1 363.510 0.705 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844190903 1203338498 /nfs/dbraw/zinc/33/84/98/1203338498.db2.gz FJJSZXQJSNZVKZ-LJQANCHMSA-N 2 1 360.502 0.819 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CCC([NH3+])CC1 ZINC000844221110 1203340186 /nfs/dbraw/zinc/34/01/86/1203340186.db2.gz VERPVQKCYYEJCW-UHFFFAOYSA-N 2 1 367.538 0.247 20 0 FCADMP COC(=O)[C@@]1(NC(=O)C2CC3(C[NH2+]C3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228400 1224810167 /nfs/dbraw/zinc/81/01/67/1224810167.db2.gz LSVJGAKKPZVBRZ-HXUWFJFHSA-N 2 1 357.454 0.920 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228647 1224810404 /nfs/dbraw/zinc/81/04/04/1224810404.db2.gz SCKYCYNNDZOKFB-MDZRGWNJSA-N 2 1 363.433 0.868 20 0 FCADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220237672 1224812211 /nfs/dbraw/zinc/81/22/11/1224812211.db2.gz AJGMKVTWUGQJIN-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220237672 1224812212 /nfs/dbraw/zinc/81/22/12/1224812212.db2.gz AJGMKVTWUGQJIN-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001091035965 1204449077 /nfs/dbraw/zinc/44/90/77/1204449077.db2.gz OZTUDJRSKSOEQP-PRLABOORSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845445594 1204501804 /nfs/dbraw/zinc/50/18/04/1204501804.db2.gz BYRYPRQJXWEKDH-GJZGRUSLSA-N 2 1 372.510 0.356 20 0 FCADMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001091097298 1204514348 /nfs/dbraw/zinc/51/43/48/1204514348.db2.gz NKLGFJNEWBLPFD-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001091097298 1204514353 /nfs/dbraw/zinc/51/43/53/1204514353.db2.gz NKLGFJNEWBLPFD-FKFRUQKQSA-N 2 1 363.462 0.189 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@H](Cc2ccccc2)C1 ZINC000846356822 1204620370 /nfs/dbraw/zinc/62/03/70/1204620370.db2.gz LJJAYAWMHZLTRC-NQIIRXRSSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@H](Cc2ccccc2)C1 ZINC000846356822 1204620373 /nfs/dbraw/zinc/62/03/73/1204620373.db2.gz LJJAYAWMHZLTRC-NQIIRXRSSA-N 2 1 370.497 0.726 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366792 1224844881 /nfs/dbraw/zinc/84/48/81/1224844881.db2.gz BBXSYFMGZJKMEM-CVEARBPZSA-N 2 1 366.510 0.034 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366792 1224844884 /nfs/dbraw/zinc/84/48/84/1224844884.db2.gz BBXSYFMGZJKMEM-CVEARBPZSA-N 2 1 366.510 0.034 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366792 1224844886 /nfs/dbraw/zinc/84/48/86/1224844886.db2.gz BBXSYFMGZJKMEM-CVEARBPZSA-N 2 1 366.510 0.034 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366792 1224844887 /nfs/dbraw/zinc/84/48/87/1224844887.db2.gz BBXSYFMGZJKMEM-CVEARBPZSA-N 2 1 366.510 0.034 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091543679 1204709254 /nfs/dbraw/zinc/70/92/54/1204709254.db2.gz NJYUHYHLMAUKNB-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)nn1 ZINC001091543679 1204709260 /nfs/dbraw/zinc/70/92/60/1204709260.db2.gz NJYUHYHLMAUKNB-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)nn1 ZINC001091543679 1204709269 /nfs/dbraw/zinc/70/92/69/1204709269.db2.gz NJYUHYHLMAUKNB-ALKREAHSSA-N 2 1 359.474 0.860 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372600 1224846785 /nfs/dbraw/zinc/84/67/85/1224846785.db2.gz GDFBEXKKABTDAN-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372600 1224846788 /nfs/dbraw/zinc/84/67/88/1224846788.db2.gz GDFBEXKKABTDAN-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372600 1224846790 /nfs/dbraw/zinc/84/67/90/1224846790.db2.gz GDFBEXKKABTDAN-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1)OC ZINC001220372600 1224846794 /nfs/dbraw/zinc/84/67/94/1224846794.db2.gz GDFBEXKKABTDAN-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565403 1204725439 /nfs/dbraw/zinc/72/54/39/1204725439.db2.gz NYBMHUFDVXLQOT-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565403 1204725445 /nfs/dbraw/zinc/72/54/45/1204725445.db2.gz NYBMHUFDVXLQOT-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565403 1204725450 /nfs/dbraw/zinc/72/54/50/1204725450.db2.gz NYBMHUFDVXLQOT-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565403 1204725457 /nfs/dbraw/zinc/72/54/57/1204725457.db2.gz NYBMHUFDVXLQOT-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091677618 1204818368 /nfs/dbraw/zinc/81/83/68/1204818368.db2.gz PNWZNGJHVADBQT-HLIPFELVSA-N 2 1 360.502 0.341 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673114 1204818917 /nfs/dbraw/zinc/81/89/17/1204818917.db2.gz ZMECAVJAFDFNSW-QINHECLXSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754057 1204843966 /nfs/dbraw/zinc/84/39/66/1204843966.db2.gz AXDKNWOHUJGMCG-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754057 1204843967 /nfs/dbraw/zinc/84/39/67/1204843967.db2.gz AXDKNWOHUJGMCG-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754057 1204843969 /nfs/dbraw/zinc/84/39/69/1204843969.db2.gz AXDKNWOHUJGMCG-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273454068 1204850839 /nfs/dbraw/zinc/85/08/39/1204850839.db2.gz MAVVULSNDGSDQX-DTYCBIMDSA-N 2 1 362.518 0.679 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)C1 ZINC001086880024 1204855671 /nfs/dbraw/zinc/85/56/71/1204855671.db2.gz ILWDGBUCBWLRAF-LZLYRXPVSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)C1 ZINC001086880024 1204855672 /nfs/dbraw/zinc/85/56/72/1204855672.db2.gz ILWDGBUCBWLRAF-LZLYRXPVSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001086880404 1204855981 /nfs/dbraw/zinc/85/59/81/1204855981.db2.gz YCXDEEDXLKJLBN-CGTJXYLNSA-N 2 1 363.506 0.558 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001086880404 1204855985 /nfs/dbraw/zinc/85/59/85/1204855985.db2.gz YCXDEEDXLKJLBN-CGTJXYLNSA-N 2 1 363.506 0.558 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086882662 1204856789 /nfs/dbraw/zinc/85/67/89/1204856789.db2.gz DRWYPOXMVGVMOJ-BBWFWOEESA-N 2 1 365.522 0.761 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)C1 ZINC001086875369 1204858596 /nfs/dbraw/zinc/85/85/96/1204858596.db2.gz PUMWJTZZPLWCHU-ARFHVFGLSA-N 2 1 360.506 0.941 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2c2cnn(C)c2)n1 ZINC001086970683 1204870015 /nfs/dbraw/zinc/87/00/15/1204870015.db2.gz DYHVNXBBNXZJIP-RCCFBDPRSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2c2cnn(C)c2)n1 ZINC001086970683 1204870017 /nfs/dbraw/zinc/87/00/17/1204870017.db2.gz DYHVNXBBNXZJIP-RCCFBDPRSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001087009497 1204897031 /nfs/dbraw/zinc/89/70/31/1204897031.db2.gz JDGCHKJRLCONIQ-BHYGNILZSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001087009497 1204897033 /nfs/dbraw/zinc/89/70/33/1204897033.db2.gz JDGCHKJRLCONIQ-BHYGNILZSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)n1 ZINC001087009444 1204897138 /nfs/dbraw/zinc/89/71/38/1204897138.db2.gz GSEZAGOOPNXXMX-FHLIZLRMSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)n1 ZINC001087009444 1204897140 /nfs/dbraw/zinc/89/71/40/1204897140.db2.gz GSEZAGOOPNXXMX-FHLIZLRMSA-N 2 1 371.489 0.190 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087034940 1204909501 /nfs/dbraw/zinc/90/95/01/1204909501.db2.gz FADRDNAEAZSWCC-BRWVUGGUSA-N 2 1 363.506 0.950 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001087038507 1204915922 /nfs/dbraw/zinc/91/59/22/1204915922.db2.gz JZEPYLXJBMMXJE-KURKYZTESA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001087038507 1204915929 /nfs/dbraw/zinc/91/59/29/1204915929.db2.gz JZEPYLXJBMMXJE-KURKYZTESA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087038633 1204916994 /nfs/dbraw/zinc/91/69/94/1204916994.db2.gz QMARBYTUWCZKLP-OIISXLGYSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087038633 1204917004 /nfs/dbraw/zinc/91/70/04/1204917004.db2.gz QMARBYTUWCZKLP-OIISXLGYSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087038799 1204917704 /nfs/dbraw/zinc/91/77/04/1204917704.db2.gz ZPVKPWLTQFJNCZ-BRWVUGGUSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087038799 1204917706 /nfs/dbraw/zinc/91/77/06/1204917706.db2.gz ZPVKPWLTQFJNCZ-BRWVUGGUSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087059529 1204944816 /nfs/dbraw/zinc/94/48/16/1204944816.db2.gz KNYYTNILOHKTBH-RHSMWYFYSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087063417 1204950821 /nfs/dbraw/zinc/95/08/21/1204950821.db2.gz XMLSJDRTFYIYLZ-KBAYOESNSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083640 1204970296 /nfs/dbraw/zinc/97/02/96/1204970296.db2.gz NQEGGIZXAIWVCO-LZLYRXPVSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083906 1204973016 /nfs/dbraw/zinc/97/30/16/1204973016.db2.gz XJYLGVGNPYVGET-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776638 1205010119 /nfs/dbraw/zinc/01/01/19/1205010119.db2.gz NGDPMFYELYSELG-MDZRGWNJSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1cc(N2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@@H]3C2)nc(C)[nH+]1 ZINC001091856361 1205051686 /nfs/dbraw/zinc/05/16/86/1205051686.db2.gz CWTXUIWGTLGXPO-SJORKVTESA-N 2 1 361.490 0.956 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001091959783 1205093366 /nfs/dbraw/zinc/09/33/66/1205093366.db2.gz FULCHRWSYNKEOV-CLCXKQKWSA-N 2 1 360.458 0.624 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2CN(C)CC3)[C@@H]1C ZINC001091996585 1205097639 /nfs/dbraw/zinc/09/76/39/1205097639.db2.gz SFNPAXSCFMIBNB-ZBFHGGJFSA-N 2 1 360.506 0.890 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)cc1 ZINC001092016485 1205115838 /nfs/dbraw/zinc/11/58/38/1205115838.db2.gz RPGCUSVHCDURME-XLIONFOSSA-N 2 1 358.486 0.670 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092100901 1205157435 /nfs/dbraw/zinc/15/74/35/1205157435.db2.gz DFYYMEUMBKCVKK-XLIONFOSSA-N 2 1 358.486 0.888 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)nn1 ZINC001092203162 1205197843 /nfs/dbraw/zinc/19/78/43/1205197843.db2.gz GISMWGVCLPQMKM-BEFAXECRSA-N 2 1 371.485 0.861 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001092300240 1205233525 /nfs/dbraw/zinc/23/35/25/1205233525.db2.gz SQFDIRQMDOKETD-UZLBHIALSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620313 1205329775 /nfs/dbraw/zinc/32/97/75/1205329775.db2.gz AYQQDXWRUQSTCB-DTTOXWODSA-N 2 1 362.522 0.919 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620313 1205329776 /nfs/dbraw/zinc/32/97/76/1205329776.db2.gz AYQQDXWRUQSTCB-DTTOXWODSA-N 2 1 362.522 0.919 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620313 1205329777 /nfs/dbraw/zinc/32/97/77/1205329777.db2.gz AYQQDXWRUQSTCB-DTTOXWODSA-N 2 1 362.522 0.919 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@H]2C)CC[NH+]1C ZINC001092620419 1205330075 /nfs/dbraw/zinc/33/00/75/1205330075.db2.gz HADXXECKFYSYGH-KLHDSHLOSA-N 2 1 374.489 0.439 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@H]2C)CC[NH+]1C ZINC001092620419 1205330077 /nfs/dbraw/zinc/33/00/77/1205330077.db2.gz HADXXECKFYSYGH-KLHDSHLOSA-N 2 1 374.489 0.439 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)Nc3cnccn3)C[C@H]2C)CC[N@@H+]1C ZINC001092620419 1205330080 /nfs/dbraw/zinc/33/00/80/1205330080.db2.gz HADXXECKFYSYGH-KLHDSHLOSA-N 2 1 374.489 0.439 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)Nc3cnccn3)C[C@H]2C)CC[N@H+]1C ZINC001092620419 1205330084 /nfs/dbraw/zinc/33/00/84/1205330084.db2.gz HADXXECKFYSYGH-KLHDSHLOSA-N 2 1 374.489 0.439 20 0 FCADMP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517155 1224900628 /nfs/dbraw/zinc/90/06/28/1224900628.db2.gz YTDCXQAHPHIHPP-IBQUMJASSA-N 2 1 363.506 0.966 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136977 1206033428 /nfs/dbraw/zinc/03/34/28/1206033428.db2.gz GKBYGXKQCYSLHS-CKEIUWERSA-N 2 1 359.474 0.676 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193535 1206052886 /nfs/dbraw/zinc/05/28/86/1206052886.db2.gz JIRDALDDUKUBCD-FVQBIDKESA-N 2 1 361.490 0.929 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193535 1206052890 /nfs/dbraw/zinc/05/28/90/1206052890.db2.gz JIRDALDDUKUBCD-FVQBIDKESA-N 2 1 361.490 0.929 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)c(C)n1 ZINC001093193535 1206052893 /nfs/dbraw/zinc/05/28/93/1206052893.db2.gz JIRDALDDUKUBCD-FVQBIDKESA-N 2 1 361.490 0.929 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209196 1206057009 /nfs/dbraw/zinc/05/70/09/1206057009.db2.gz XQVYYEGVPHBNCE-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209196 1206057012 /nfs/dbraw/zinc/05/70/12/1206057012.db2.gz XQVYYEGVPHBNCE-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209196 1206057014 /nfs/dbraw/zinc/05/70/14/1206057014.db2.gz XQVYYEGVPHBNCE-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)C1 ZINC001093209196 1206057018 /nfs/dbraw/zinc/05/70/18/1206057018.db2.gz XQVYYEGVPHBNCE-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093289486 1206073786 /nfs/dbraw/zinc/07/37/86/1206073786.db2.gz ZVFNYGNUDIHIEK-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001093291624 1206074177 /nfs/dbraw/zinc/07/41/77/1206074177.db2.gz LPKQAUMQOSLDQO-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093768025 1206112132 /nfs/dbraw/zinc/11/21/32/1206112132.db2.gz JDBMZCPMPGSQDP-RBSFLKMASA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001093781100 1206114672 /nfs/dbraw/zinc/11/46/72/1206114672.db2.gz WHMZWMUNPQHDQV-IXYNUQLISA-N 2 1 361.494 0.532 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)CC[N@H+]1C ZINC001093781992 1206115561 /nfs/dbraw/zinc/11/55/61/1206115561.db2.gz QTQMZXWBLIUTRF-APIJFGDWSA-N 2 1 364.494 0.023 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093821868 1206123093 /nfs/dbraw/zinc/12/30/93/1206123093.db2.gz HNAAUABGZVSHIS-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093821870 1206124387 /nfs/dbraw/zinc/12/43/87/1206124387.db2.gz HNAAUABGZVSHIS-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001093857801 1206135715 /nfs/dbraw/zinc/13/57/15/1206135715.db2.gz YWSLEIGGABDJNR-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001093857801 1206135716 /nfs/dbraw/zinc/13/57/16/1206135716.db2.gz YWSLEIGGABDJNR-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1C ZINC001093921472 1206149647 /nfs/dbraw/zinc/14/96/47/1206149647.db2.gz UDBNHMXBAQWWNH-UKRRQHHQSA-N 2 1 359.478 0.767 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093987542 1206164701 /nfs/dbraw/zinc/16/47/01/1206164701.db2.gz RERQMQRVQLLMHW-BZUAXINKSA-N 2 1 363.510 0.516 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093987542 1206164706 /nfs/dbraw/zinc/16/47/06/1206164706.db2.gz RERQMQRVQLLMHW-BZUAXINKSA-N 2 1 363.510 0.516 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001093992382 1206165384 /nfs/dbraw/zinc/16/53/84/1206165384.db2.gz QFKZBBJPYSHFOD-BMFZPTHFSA-N 2 1 364.494 0.406 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001093992382 1206165388 /nfs/dbraw/zinc/16/53/88/1206165388.db2.gz QFKZBBJPYSHFOD-BMFZPTHFSA-N 2 1 364.494 0.406 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)C1 ZINC001093993083 1206165528 /nfs/dbraw/zinc/16/55/28/1206165528.db2.gz BUIWLZQHUYARGR-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)C1 ZINC001093993083 1206165529 /nfs/dbraw/zinc/16/55/29/1206165529.db2.gz BUIWLZQHUYARGR-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)C1 ZINC001094041784 1206174342 /nfs/dbraw/zinc/17/43/42/1206174342.db2.gz FGZJNXGRPOIQQH-LZLYRXPVSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088280 1206181617 /nfs/dbraw/zinc/18/16/17/1206181617.db2.gz MAFSUAOAKBEVQG-OWCLPIDISA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094219152 1206202597 /nfs/dbraw/zinc/20/25/97/1206202597.db2.gz FQNKFNYQTSFQEQ-HYVNUMGLSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094219404 1206203280 /nfs/dbraw/zinc/20/32/80/1206203280.db2.gz JUILBQDULWWRGW-BZUAXINKSA-N 2 1 360.506 0.750 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)C1 ZINC001094234068 1206208801 /nfs/dbraw/zinc/20/88/01/1206208801.db2.gz IWJUTIJJALOTGQ-BRWVUGGUSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)C1 ZINC001094234068 1206208802 /nfs/dbraw/zinc/20/88/02/1206208802.db2.gz IWJUTIJJALOTGQ-BRWVUGGUSA-N 2 1 361.490 0.690 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)[NH+]1CCCC1 ZINC001094242666 1206210274 /nfs/dbraw/zinc/21/02/74/1206210274.db2.gz MIAJUBHARUHSKS-BFYDXBDKSA-N 2 1 363.510 0.515 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434095 1206225481 /nfs/dbraw/zinc/22/54/81/1206225481.db2.gz RZHIKIOZDZMQCP-QMTMVMCOSA-N 2 1 359.474 0.867 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434095 1206225484 /nfs/dbraw/zinc/22/54/84/1206225484.db2.gz RZHIKIOZDZMQCP-QMTMVMCOSA-N 2 1 359.474 0.867 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@]13CCC[C@H]1[N@H+](CC(N)=O)CC3)C2 ZINC001094509308 1206234639 /nfs/dbraw/zinc/23/46/39/1206234639.db2.gz FVQWHKHRBGKCBV-ZSZQSSIHSA-N 2 1 359.474 0.600 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@]13CCC[C@H]1[N@@H+](CC(N)=O)CC3)C2 ZINC001094509308 1206234642 /nfs/dbraw/zinc/23/46/42/1206234642.db2.gz FVQWHKHRBGKCBV-ZSZQSSIHSA-N 2 1 359.474 0.600 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CCCC4)C3)C2)CC[N@H+]1C ZINC001094738863 1206244764 /nfs/dbraw/zinc/24/47/64/1206244764.db2.gz OZJYJZPMRWOKCT-UWWQBHOKSA-N 2 1 362.518 0.918 20 0 FCADMP CCn1cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001171500645 1206249574 /nfs/dbraw/zinc/24/95/74/1206249574.db2.gz MUJXVSYOTJDAFA-ZMSDIMECSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001171500645 1206249577 /nfs/dbraw/zinc/24/95/77/1206249577.db2.gz MUJXVSYOTJDAFA-ZMSDIMECSA-N 2 1 366.510 0.782 20 0 FCADMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001171718245 1206251204 /nfs/dbraw/zinc/25/12/04/1206251204.db2.gz RUCCNKDAQKJNHC-CQSZACIVSA-N 2 1 368.478 0.618 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@H]2C(=O)N(C)C ZINC001172132730 1206257083 /nfs/dbraw/zinc/25/70/83/1206257083.db2.gz NOHNROJBUAOISN-MHORFTMASA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C[C@H]2C(=O)N(C)C ZINC001172132730 1206257084 /nfs/dbraw/zinc/25/70/84/1206257084.db2.gz NOHNROJBUAOISN-MHORFTMASA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@H]2C(=O)N(C)C ZINC001172132730 1206257086 /nfs/dbraw/zinc/25/70/86/1206257086.db2.gz NOHNROJBUAOISN-MHORFTMASA-N 2 1 362.518 0.870 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172109143 1206257905 /nfs/dbraw/zinc/25/79/05/1206257905.db2.gz BOWLYCXRJQXRSX-FJIDUMEYSA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172109143 1206257910 /nfs/dbraw/zinc/25/79/10/1206257910.db2.gz BOWLYCXRJQXRSX-FJIDUMEYSA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001172118844 1206258166 /nfs/dbraw/zinc/25/81/66/1206258166.db2.gz TYIKTYMCUWQQSR-LDLYASANSA-N 3 1 373.538 0.616 20 0 FCADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001172118844 1206258167 /nfs/dbraw/zinc/25/81/67/1206258167.db2.gz TYIKTYMCUWQQSR-LDLYASANSA-N 2 1 373.538 0.616 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C[C@@H]1C(=O)OC ZINC001173576623 1206282186 /nfs/dbraw/zinc/28/21/86/1206282186.db2.gz JOTBSOVZKMAWIG-ZSOGYDGISA-N 2 1 367.446 0.857 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749465 1206287324 /nfs/dbraw/zinc/28/73/24/1206287324.db2.gz CQERKFQXAKDMJE-ZJPYXAASSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749465 1206287329 /nfs/dbraw/zinc/28/73/29/1206287329.db2.gz CQERKFQXAKDMJE-ZJPYXAASSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749465 1206287333 /nfs/dbraw/zinc/28/73/33/1206287333.db2.gz CQERKFQXAKDMJE-ZJPYXAASSA-N 2 1 364.494 0.826 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)C(C)C ZINC001220572914 1224941623 /nfs/dbraw/zinc/94/16/23/1224941623.db2.gz NTZSDUFBXMCOLC-FGTMMUONSA-N 2 1 365.522 0.490 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001178523147 1206358988 /nfs/dbraw/zinc/35/89/88/1206358988.db2.gz UQSRSBUYSFWVPU-HZPDHXFCSA-N 2 1 366.506 0.742 20 0 FCADMP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCCC[N@H+]2C)CC3)CC1 ZINC001178691899 1206362465 /nfs/dbraw/zinc/36/24/65/1206362465.db2.gz JCKWWXKUPJJHPH-QGZVFWFLSA-N 2 1 360.506 0.457 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001178811678 1206365634 /nfs/dbraw/zinc/36/56/34/1206365634.db2.gz YERNDUKJIBZETP-QLFBSQMISA-N 2 1 367.498 0.256 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001178811678 1206365637 /nfs/dbraw/zinc/36/56/37/1206365637.db2.gz YERNDUKJIBZETP-QLFBSQMISA-N 2 1 367.498 0.256 20 0 FCADMP CCn1cc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001178810579 1206365689 /nfs/dbraw/zinc/36/56/89/1206365689.db2.gz HIJMCVGPVPXAMV-NVXWUHKLSA-N 2 1 366.510 0.783 20 0 FCADMP CCn1cc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001178810579 1206365691 /nfs/dbraw/zinc/36/56/91/1206365691.db2.gz HIJMCVGPVPXAMV-NVXWUHKLSA-N 2 1 366.510 0.783 20 0 FCADMP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001184445614 1206470237 /nfs/dbraw/zinc/47/02/37/1206470237.db2.gz VPYDDXDFYPNVLV-ZDUSSCGKSA-N 2 1 370.494 0.550 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001185250515 1206476986 /nfs/dbraw/zinc/47/69/86/1206476986.db2.gz GXEONGSEIITDTA-FHWLQOOXSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001185250515 1206476987 /nfs/dbraw/zinc/47/69/87/1206476987.db2.gz GXEONGSEIITDTA-FHWLQOOXSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001185250515 1206476988 /nfs/dbraw/zinc/47/69/88/1206476988.db2.gz GXEONGSEIITDTA-FHWLQOOXSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001185252178 1206477647 /nfs/dbraw/zinc/47/76/47/1206477647.db2.gz RUFWPHORLNPPHQ-INIZCTEOSA-N 2 1 357.458 0.089 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001185252178 1206477648 /nfs/dbraw/zinc/47/76/48/1206477648.db2.gz RUFWPHORLNPPHQ-INIZCTEOSA-N 2 1 357.458 0.089 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784411 1206485372 /nfs/dbraw/zinc/48/53/72/1206485372.db2.gz VKCPDUXFERAPCW-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185964448 1206490070 /nfs/dbraw/zinc/49/00/70/1206490070.db2.gz WRRKQLVXWSSUDP-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185964448 1206490071 /nfs/dbraw/zinc/49/00/71/1206490071.db2.gz WRRKQLVXWSSUDP-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001186044818 1206492272 /nfs/dbraw/zinc/49/22/72/1206492272.db2.gz KXIGSQQPGLSNLK-HNNXBMFYSA-N 2 1 355.442 0.781 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001186044818 1206492275 /nfs/dbraw/zinc/49/22/75/1206492275.db2.gz KXIGSQQPGLSNLK-HNNXBMFYSA-N 2 1 355.442 0.781 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001186354166 1206496034 /nfs/dbraw/zinc/49/60/34/1206496034.db2.gz YOKNLXHROFSEQJ-ZDUSSCGKSA-N 2 1 363.462 0.193 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001220637342 1224977948 /nfs/dbraw/zinc/97/79/48/1224977948.db2.gz BXVXBHRGUAZCGS-ZACQAIPSSA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220642460 1224981256 /nfs/dbraw/zinc/98/12/56/1224981256.db2.gz BVNWRUBBRZWCOF-NXHRZFHOSA-N 2 1 369.506 0.218 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944308 1207403500 /nfs/dbraw/zinc/40/35/00/1207403500.db2.gz FOCCKWYFGPLRHE-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944308 1207403506 /nfs/dbraw/zinc/40/35/06/1207403506.db2.gz FOCCKWYFGPLRHE-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001189035420 1207497760 /nfs/dbraw/zinc/49/77/60/1207497760.db2.gz YVBXMSACTINLHN-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117752 1207502190 /nfs/dbraw/zinc/50/21/90/1207502190.db2.gz LYRIWJMKMVTBFW-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117752 1207502191 /nfs/dbraw/zinc/50/21/91/1207502191.db2.gz LYRIWJMKMVTBFW-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117752 1207502193 /nfs/dbraw/zinc/50/21/93/1207502193.db2.gz LYRIWJMKMVTBFW-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117752 1207502196 /nfs/dbraw/zinc/50/21/96/1207502196.db2.gz LYRIWJMKMVTBFW-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189151708 1207512994 /nfs/dbraw/zinc/51/29/94/1207512994.db2.gz NYBUSBNFOVGKOQ-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189151708 1207512999 /nfs/dbraw/zinc/51/29/99/1207512999.db2.gz NYBUSBNFOVGKOQ-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189151708 1207513003 /nfs/dbraw/zinc/51/30/03/1207513003.db2.gz NYBUSBNFOVGKOQ-IPMKNSEASA-N 2 1 370.497 0.582 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167397 1207520146 /nfs/dbraw/zinc/52/01/46/1207520146.db2.gz LZBJAXJRRGPEEF-MELADBBJSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167397 1207520150 /nfs/dbraw/zinc/52/01/50/1207520150.db2.gz LZBJAXJRRGPEEF-MELADBBJSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167397 1207520154 /nfs/dbraw/zinc/52/01/54/1207520154.db2.gz LZBJAXJRRGPEEF-MELADBBJSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167397 1207520159 /nfs/dbraw/zinc/52/01/59/1207520159.db2.gz LZBJAXJRRGPEEF-MELADBBJSA-N 2 1 367.494 0.080 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)cc1 ZINC001189424878 1207547424 /nfs/dbraw/zinc/54/74/24/1207547424.db2.gz GCXMBIBQDGSZHR-RBUKOAKNSA-N 2 1 361.486 0.903 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001189424874 1207548333 /nfs/dbraw/zinc/54/83/33/1207548333.db2.gz GBQMSGKAAUOYJH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001189424874 1207548337 /nfs/dbraw/zinc/54/83/37/1207548337.db2.gz GBQMSGKAAUOYJH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189669621 1207581239 /nfs/dbraw/zinc/58/12/39/1207581239.db2.gz XZRYIMRHYBFHTK-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189669621 1207581244 /nfs/dbraw/zinc/58/12/44/1207581244.db2.gz XZRYIMRHYBFHTK-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189669621 1207581249 /nfs/dbraw/zinc/58/12/49/1207581249.db2.gz XZRYIMRHYBFHTK-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189669621 1207581251 /nfs/dbraw/zinc/58/12/51/1207581251.db2.gz XZRYIMRHYBFHTK-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189913666 1207619663 /nfs/dbraw/zinc/61/96/63/1207619663.db2.gz UUTXXHBHBICCAB-OKZBNKHCSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189913666 1207619670 /nfs/dbraw/zinc/61/96/70/1207619670.db2.gz UUTXXHBHBICCAB-OKZBNKHCSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189913666 1207619676 /nfs/dbraw/zinc/61/96/76/1207619676.db2.gz UUTXXHBHBICCAB-OKZBNKHCSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189912577 1207620168 /nfs/dbraw/zinc/62/01/68/1207620168.db2.gz BEWKYFGPXHYKNR-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189912577 1207620172 /nfs/dbraw/zinc/62/01/72/1207620172.db2.gz BEWKYFGPXHYKNR-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189912577 1207620175 /nfs/dbraw/zinc/62/01/75/1207620175.db2.gz BEWKYFGPXHYKNR-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189912577 1207620176 /nfs/dbraw/zinc/62/01/76/1207620176.db2.gz BEWKYFGPXHYKNR-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189912580 1207620284 /nfs/dbraw/zinc/62/02/84/1207620284.db2.gz BEWKYFGPXHYKNR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189912580 1207620297 /nfs/dbraw/zinc/62/02/97/1207620297.db2.gz BEWKYFGPXHYKNR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189912580 1207620306 /nfs/dbraw/zinc/62/03/06/1207620306.db2.gz BEWKYFGPXHYKNR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189912580 1207620314 /nfs/dbraw/zinc/62/03/14/1207620314.db2.gz BEWKYFGPXHYKNR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923140 1207621606 /nfs/dbraw/zinc/62/16/06/1207621606.db2.gz JIRSCIUOBXIGOM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923140 1207621613 /nfs/dbraw/zinc/62/16/13/1207621613.db2.gz JIRSCIUOBXIGOM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923140 1207621624 /nfs/dbraw/zinc/62/16/24/1207621624.db2.gz JIRSCIUOBXIGOM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189923140 1207621626 /nfs/dbraw/zinc/62/16/26/1207621626.db2.gz JIRSCIUOBXIGOM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229393 1207660836 /nfs/dbraw/zinc/66/08/36/1207660836.db2.gz DGLVKNILDHCJOW-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229393 1207660841 /nfs/dbraw/zinc/66/08/41/1207660841.db2.gz DGLVKNILDHCJOW-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001190238766 1207666752 /nfs/dbraw/zinc/66/67/52/1207666752.db2.gz PSHROFZVDHJRLN-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001190238766 1207666755 /nfs/dbraw/zinc/66/67/55/1207666755.db2.gz PSHROFZVDHJRLN-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001190238766 1207666757 /nfs/dbraw/zinc/66/67/57/1207666757.db2.gz PSHROFZVDHJRLN-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220682118 1225011462 /nfs/dbraw/zinc/01/14/62/1225011462.db2.gz UTEGXNWUMZIQPO-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220682118 1225011472 /nfs/dbraw/zinc/01/14/72/1225011472.db2.gz UTEGXNWUMZIQPO-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220682118 1225011480 /nfs/dbraw/zinc/01/14/80/1225011480.db2.gz UTEGXNWUMZIQPO-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001190371386 1207683397 /nfs/dbraw/zinc/68/33/97/1207683397.db2.gz TTXMDCBFZNRGFS-YESZJQIVSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001190371386 1207683400 /nfs/dbraw/zinc/68/34/00/1207683400.db2.gz TTXMDCBFZNRGFS-YESZJQIVSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001190371386 1207683404 /nfs/dbraw/zinc/68/34/04/1207683404.db2.gz TTXMDCBFZNRGFS-YESZJQIVSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001190371386 1207683405 /nfs/dbraw/zinc/68/34/05/1207683405.db2.gz TTXMDCBFZNRGFS-YESZJQIVSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688476 1225015700 /nfs/dbraw/zinc/01/57/00/1225015700.db2.gz IBYRTVJSXUWKFD-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688476 1225015705 /nfs/dbraw/zinc/01/57/05/1225015705.db2.gz IBYRTVJSXUWKFD-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688476 1225015708 /nfs/dbraw/zinc/01/57/08/1225015708.db2.gz IBYRTVJSXUWKFD-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220688476 1225015712 /nfs/dbraw/zinc/01/57/12/1225015712.db2.gz IBYRTVJSXUWKFD-KURKYZTESA-N 2 1 365.474 0.232 20 0 FCADMP COCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191469127 1207792482 /nfs/dbraw/zinc/79/24/82/1207792482.db2.gz SFNHLZAJVKVKSK-KSZLIROESA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O)C1CC1 ZINC001193791602 1207889424 /nfs/dbraw/zinc/88/94/24/1207889424.db2.gz MMLVNZLIVQKMJL-BRWVUGGUSA-N 2 1 359.430 0.224 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)C1CC1 ZINC001193791602 1207889426 /nfs/dbraw/zinc/88/94/26/1207889426.db2.gz MMLVNZLIVQKMJL-BRWVUGGUSA-N 2 1 359.430 0.224 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821462 1207892491 /nfs/dbraw/zinc/89/24/91/1207892491.db2.gz JIKKISXCFWTLNK-RTBURBONSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821462 1207892492 /nfs/dbraw/zinc/89/24/92/1207892492.db2.gz JIKKISXCFWTLNK-RTBURBONSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821462 1207892493 /nfs/dbraw/zinc/89/24/93/1207892493.db2.gz JIKKISXCFWTLNK-RTBURBONSA-N 2 1 361.486 0.849 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821837 1207892571 /nfs/dbraw/zinc/89/25/71/1207892571.db2.gz SWZVRWTYBCZCIK-GUDVDZBRSA-N 2 1 361.486 0.236 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821837 1207892574 /nfs/dbraw/zinc/89/25/74/1207892574.db2.gz SWZVRWTYBCZCIK-GUDVDZBRSA-N 2 1 361.486 0.236 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001193821837 1207892575 /nfs/dbraw/zinc/89/25/75/1207892575.db2.gz SWZVRWTYBCZCIK-GUDVDZBRSA-N 2 1 361.486 0.236 20 0 FCADMP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831915 1207978007 /nfs/dbraw/zinc/97/80/07/1207978007.db2.gz IVWKFBGNOAHGDT-NWNORPDESA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C\CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831915 1207978011 /nfs/dbraw/zinc/97/80/11/1207978011.db2.gz IVWKFBGNOAHGDT-NWNORPDESA-N 2 1 363.502 0.757 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)CCCC1 ZINC001195006469 1207988611 /nfs/dbraw/zinc/98/86/11/1207988611.db2.gz IWZXJXDQQQSFGC-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)CCCC1 ZINC001195006469 1207988615 /nfs/dbraw/zinc/98/86/15/1207988615.db2.gz IWZXJXDQQQSFGC-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221809 1208010622 /nfs/dbraw/zinc/01/06/22/1208010622.db2.gz IAXHTJAKOUEQAL-GVDBMIGSSA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221809 1208010625 /nfs/dbraw/zinc/01/06/25/1208010625.db2.gz IAXHTJAKOUEQAL-GVDBMIGSSA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221808 1208010962 /nfs/dbraw/zinc/01/09/62/1208010962.db2.gz IAXHTJAKOUEQAL-BRWVUGGUSA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221808 1208010965 /nfs/dbraw/zinc/01/09/65/1208010965.db2.gz IAXHTJAKOUEQAL-BRWVUGGUSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195676528 1208032586 /nfs/dbraw/zinc/03/25/86/1208032586.db2.gz FXMYUAQSFLQCQJ-BRWVUGGUSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195676528 1208032589 /nfs/dbraw/zinc/03/25/89/1208032589.db2.gz FXMYUAQSFLQCQJ-BRWVUGGUSA-N 2 1 365.449 0.362 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001195701411 1208035897 /nfs/dbraw/zinc/03/58/97/1208035897.db2.gz MKBTZQIFYMRHJJ-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220726441 1225038252 /nfs/dbraw/zinc/03/82/52/1225038252.db2.gz XRYZUYBUIJREDY-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220726441 1225038260 /nfs/dbraw/zinc/03/82/60/1225038260.db2.gz XRYZUYBUIJREDY-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001220726441 1225038269 /nfs/dbraw/zinc/03/82/69/1225038269.db2.gz XRYZUYBUIJREDY-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001220726441 1225038280 /nfs/dbraw/zinc/03/82/80/1225038280.db2.gz XRYZUYBUIJREDY-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001195980614 1208049115 /nfs/dbraw/zinc/04/91/15/1208049115.db2.gz ARBJLUOBGXPMCR-GUDVDZBRSA-N 2 1 363.502 0.985 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196124007 1208059854 /nfs/dbraw/zinc/05/98/54/1208059854.db2.gz YJVVDBLFYKLFMM-BRWVUGGUSA-N 2 1 366.510 0.177 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196124007 1208059858 /nfs/dbraw/zinc/05/98/58/1208059858.db2.gz YJVVDBLFYKLFMM-BRWVUGGUSA-N 2 1 366.510 0.177 20 0 FCADMP CC(C)CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222211 1208067069 /nfs/dbraw/zinc/06/70/69/1208067069.db2.gz JWERTXWJEOJOGD-ARFHVFGLSA-N 2 1 370.538 0.286 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CCC1 ZINC001196925921 1208119090 /nfs/dbraw/zinc/11/90/90/1208119090.db2.gz RUPFVXMKIWDSHE-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CCC1 ZINC001196925921 1208119093 /nfs/dbraw/zinc/11/90/93/1208119093.db2.gz RUPFVXMKIWDSHE-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001196939055 1208123094 /nfs/dbraw/zinc/12/30/94/1208123094.db2.gz FAKSEVQHFIRMBN-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001196939055 1208123098 /nfs/dbraw/zinc/12/30/98/1208123098.db2.gz FAKSEVQHFIRMBN-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939050 1208123230 /nfs/dbraw/zinc/12/32/30/1208123230.db2.gz DMXKTDBDKCCQPI-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939050 1208123235 /nfs/dbraw/zinc/12/32/35/1208123235.db2.gz DMXKTDBDKCCQPI-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001197319383 1208152343 /nfs/dbraw/zinc/15/23/43/1208152343.db2.gz CEWCTUQCDOVSLT-QZTJIDSGSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001197319383 1208152344 /nfs/dbraw/zinc/15/23/44/1208152344.db2.gz CEWCTUQCDOVSLT-QZTJIDSGSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001197319377 1208152391 /nfs/dbraw/zinc/15/23/91/1208152391.db2.gz BXVXBHRGUAZCGS-GVDBMIGSSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001197428818 1208164278 /nfs/dbraw/zinc/16/42/78/1208164278.db2.gz VPGBICBPTWOCGO-ZTFGCOKTSA-N 2 1 358.442 0.808 20 0 FCADMP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)c1 ZINC001197783873 1208196742 /nfs/dbraw/zinc/19/67/42/1208196742.db2.gz QYPMJUOLVPNLTO-RTBURBONSA-N 2 1 363.502 0.851 20 0 FCADMP Cc1ccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826253 1208201860 /nfs/dbraw/zinc/20/18/60/1208201860.db2.gz SKEOXWALKBEFKT-RTBURBONSA-N 2 1 363.502 0.667 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826039 1208201895 /nfs/dbraw/zinc/20/18/95/1208201895.db2.gz NQASZUPUANDOOR-IAGOWNOFSA-N 2 1 365.474 0.113 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826039 1208201896 /nfs/dbraw/zinc/20/18/96/1208201896.db2.gz NQASZUPUANDOOR-IAGOWNOFSA-N 2 1 365.474 0.113 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030291 1208215720 /nfs/dbraw/zinc/21/57/20/1208215720.db2.gz XPGGQFYAUYGERO-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030291 1208215723 /nfs/dbraw/zinc/21/57/23/1208215723.db2.gz XPGGQFYAUYGERO-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030291 1208215726 /nfs/dbraw/zinc/21/57/26/1208215726.db2.gz XPGGQFYAUYGERO-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030291 1208215728 /nfs/dbraw/zinc/21/57/28/1208215728.db2.gz XPGGQFYAUYGERO-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038237 1208216632 /nfs/dbraw/zinc/21/66/32/1208216632.db2.gz LTTQESGGMVPNDG-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038237 1208216635 /nfs/dbraw/zinc/21/66/35/1208216635.db2.gz LTTQESGGMVPNDG-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038237 1208216637 /nfs/dbraw/zinc/21/66/37/1208216637.db2.gz LTTQESGGMVPNDG-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038237 1208216639 /nfs/dbraw/zinc/21/66/39/1208216639.db2.gz LTTQESGGMVPNDG-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP COc1cccc([C@H](O)CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001199111624 1208321499 /nfs/dbraw/zinc/32/14/99/1208321499.db2.gz DSZHLTYQEVMMMJ-KZNAEPCWSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199111624 1208321502 /nfs/dbraw/zinc/32/15/02/1208321502.db2.gz DSZHLTYQEVMMMJ-KZNAEPCWSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199111624 1208321505 /nfs/dbraw/zinc/32/15/05/1208321505.db2.gz DSZHLTYQEVMMMJ-KZNAEPCWSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001199111624 1208321509 /nfs/dbraw/zinc/32/15/09/1208321509.db2.gz DSZHLTYQEVMMMJ-KZNAEPCWSA-N 2 1 365.474 0.230 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111962 1208322276 /nfs/dbraw/zinc/32/22/76/1208322276.db2.gz UEEYOINQHPBZIT-BZUAXINKSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111962 1208322278 /nfs/dbraw/zinc/32/22/78/1208322278.db2.gz UEEYOINQHPBZIT-BZUAXINKSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111962 1208322281 /nfs/dbraw/zinc/32/22/81/1208322281.db2.gz UEEYOINQHPBZIT-BZUAXINKSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111962 1208322285 /nfs/dbraw/zinc/32/22/85/1208322285.db2.gz UEEYOINQHPBZIT-BZUAXINKSA-N 2 1 363.458 0.328 20 0 FCADMP C[N@H+]1CCC[C@@H](C(=O)N2CC3(CCN3C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835747 1208406790 /nfs/dbraw/zinc/40/67/90/1208406790.db2.gz QIIIAGGIECRSLA-SJORKVTESA-N 2 1 360.502 0.626 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CC3(CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C3)C2)C1 ZINC001273834287 1208409405 /nfs/dbraw/zinc/40/94/05/1208409405.db2.gz CMYWYXXZDOVPCX-DLBZAZTESA-N 2 1 360.502 0.483 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1O ZINC001220768418 1225062955 /nfs/dbraw/zinc/06/29/55/1225062955.db2.gz KZNVRSDPMLBKPX-SJORKVTESA-N 2 1 361.442 0.672 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1O ZINC001220768418 1225062962 /nfs/dbraw/zinc/06/29/62/1225062962.db2.gz KZNVRSDPMLBKPX-SJORKVTESA-N 2 1 361.442 0.672 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001488981979 1208598157 /nfs/dbraw/zinc/59/81/57/1208598157.db2.gz BRVUQJUNVKNBOX-BHYGNILZSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001489056294 1208616184 /nfs/dbraw/zinc/61/61/84/1208616184.db2.gz RIMLELFNZRFEKT-MCIONIFRSA-N 2 1 355.483 0.128 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001489206132 1208670003 /nfs/dbraw/zinc/67/00/03/1208670003.db2.gz OWJFTIKIJKVQSI-QYZOEREBSA-N 2 1 367.534 0.894 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489381264 1208803153 /nfs/dbraw/zinc/80/31/53/1208803153.db2.gz AAUVWMAELBCZDO-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1O ZINC001489381264 1208803155 /nfs/dbraw/zinc/80/31/55/1208803155.db2.gz AAUVWMAELBCZDO-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1O ZINC001489381264 1208803156 /nfs/dbraw/zinc/80/31/56/1208803156.db2.gz AAUVWMAELBCZDO-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@H]1O ZINC001489399595 1208832126 /nfs/dbraw/zinc/83/21/26/1208832126.db2.gz VNJWLGUXPRVLPU-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1O ZINC001489399595 1208832130 /nfs/dbraw/zinc/83/21/30/1208832130.db2.gz VNJWLGUXPRVLPU-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1O ZINC001489399595 1208832131 /nfs/dbraw/zinc/83/21/31/1208832131.db2.gz VNJWLGUXPRVLPU-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1OC ZINC001489534772 1208896159 /nfs/dbraw/zinc/89/61/59/1208896159.db2.gz GWYOVQLWLQUTHX-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882285 1225122361 /nfs/dbraw/zinc/12/23/61/1225122361.db2.gz USSCGZPXEXDOBN-GVDBMIGSSA-N 2 1 357.454 0.633 20 0 FCADMP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220882285 1225122369 /nfs/dbraw/zinc/12/23/69/1225122369.db2.gz USSCGZPXEXDOBN-GVDBMIGSSA-N 2 1 357.454 0.633 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cn1 ZINC000851684239 1209511369 /nfs/dbraw/zinc/51/13/69/1209511369.db2.gz CTFVXSHNTRXFJK-CJNGLKHVSA-N 2 1 370.457 0.778 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853683405 1209603061 /nfs/dbraw/zinc/60/30/61/1209603061.db2.gz SDJBXRGUMMPMMU-KZNAEPCWSA-N 2 1 366.506 0.746 20 0 FCADMP Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001110740931 1209778736 /nfs/dbraw/zinc/77/87/36/1209778736.db2.gz JZRYPQNJMUCHED-JFTQMJAMSA-N 2 1 362.474 0.553 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799527 1209867067 /nfs/dbraw/zinc/86/70/67/1209867067.db2.gz WSHODMRXZLFZOT-AHCXZYCDSA-N 2 1 371.441 0.610 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000861574424 1209871818 /nfs/dbraw/zinc/87/18/18/1209871818.db2.gz UKCVNLDTCJEHQO-WMLDXEAASA-N 2 1 361.490 0.873 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000861740460 1209878505 /nfs/dbraw/zinc/87/85/05/1209878505.db2.gz RBKPJORZGNBNSH-CABCVRRESA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000861740460 1209878508 /nfs/dbraw/zinc/87/85/08/1209878508.db2.gz RBKPJORZGNBNSH-CABCVRRESA-N 2 1 362.474 0.329 20 0 FCADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C[C@H]21 ZINC000861911597 1209888402 /nfs/dbraw/zinc/88/84/02/1209888402.db2.gz WHWZHXVMLWLABA-QLPKVWCKSA-N 2 1 366.506 0.994 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220979263 1225170821 /nfs/dbraw/zinc/17/08/21/1225170821.db2.gz IEVFHCMIZJWFBA-MSOLQXFVSA-N 2 1 358.442 0.822 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220979263 1225170826 /nfs/dbraw/zinc/17/08/26/1225170826.db2.gz IEVFHCMIZJWFBA-MSOLQXFVSA-N 2 1 358.442 0.822 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000863773990 1209951876 /nfs/dbraw/zinc/95/18/76/1209951876.db2.gz NLUZCWUXQLVTDT-OXJNMPFZSA-N 2 1 358.486 0.917 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)C(F)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000864962365 1209968492 /nfs/dbraw/zinc/96/84/92/1209968492.db2.gz LDNHIDPRDWZKOG-ZIAGYGMSSA-N 2 1 366.481 0.526 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220988982 1225177075 /nfs/dbraw/zinc/17/70/75/1225177075.db2.gz DWKMYYAGXNTSJC-MSOLQXFVSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220988982 1225177078 /nfs/dbraw/zinc/17/70/78/1225177078.db2.gz DWKMYYAGXNTSJC-MSOLQXFVSA-N 2 1 363.506 0.656 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(F)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605132 1209981577 /nfs/dbraw/zinc/98/15/77/1209981577.db2.gz NCNBEBOXOLLBRS-HZPDHXFCSA-N 2 1 366.481 0.526 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868050060 1210040526 /nfs/dbraw/zinc/04/05/26/1210040526.db2.gz BTVUZIJYSXZVBF-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868050060 1210040530 /nfs/dbraw/zinc/04/05/30/1210040530.db2.gz BTVUZIJYSXZVBF-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c2cccs2)CC1 ZINC000825795434 1210375941 /nfs/dbraw/zinc/37/59/41/1210375941.db2.gz KZRVYMVBOMYBBA-HNNXBMFYSA-N 2 1 374.514 0.835 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC000878702636 1210463814 /nfs/dbraw/zinc/46/38/14/1210463814.db2.gz JNFUCQMMIHNURO-YJBOKZPZSA-N 2 1 362.474 0.052 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC000878702636 1210463815 /nfs/dbraw/zinc/46/38/15/1210463815.db2.gz JNFUCQMMIHNURO-YJBOKZPZSA-N 2 1 362.474 0.052 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091873 1225219288 /nfs/dbraw/zinc/21/92/88/1225219288.db2.gz YXYJZBFUNPNFGT-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091873 1225219293 /nfs/dbraw/zinc/21/92/93/1225219293.db2.gz YXYJZBFUNPNFGT-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001221091363 1225217310 /nfs/dbraw/zinc/21/73/10/1225217310.db2.gz LNYIDKGGQYFNKE-MOPGFXCFSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001221091363 1225217314 /nfs/dbraw/zinc/21/73/14/1225217314.db2.gz LNYIDKGGQYFNKE-MOPGFXCFSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001221091363 1225217318 /nfs/dbraw/zinc/21/73/18/1225217318.db2.gz LNYIDKGGQYFNKE-MOPGFXCFSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001221091363 1225217321 /nfs/dbraw/zinc/21/73/21/1225217321.db2.gz LNYIDKGGQYFNKE-MOPGFXCFSA-N 2 1 361.486 0.761 20 0 FCADMP C[NH+]1CCN(CC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000882379183 1210620201 /nfs/dbraw/zinc/62/02/01/1210620201.db2.gz TVFZPJKOIDECLV-UHFFFAOYSA-N 2 1 374.529 0.767 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883606592 1210673705 /nfs/dbraw/zinc/67/37/05/1210673705.db2.gz XFRLVOSGBIJYJC-MRXNPFEDSA-N 2 1 359.474 0.763 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883608983 1210674381 /nfs/dbraw/zinc/67/43/81/1210674381.db2.gz LSFTYZRWDHGTJZ-PBHICJAKSA-N 2 1 359.474 0.763 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000883655605 1210680912 /nfs/dbraw/zinc/68/09/12/1210680912.db2.gz HHAKDDNDQFHSAO-SFHVURJKSA-N 2 1 374.485 0.722 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000883655314 1210681034 /nfs/dbraw/zinc/68/10/34/1210681034.db2.gz AKAMSTOVBJSBFP-FUHWJXTLSA-N 2 1 374.485 0.721 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000884053951 1210712168 /nfs/dbraw/zinc/71/21/68/1210712168.db2.gz LUCFWCXHXWPZGV-HNNXBMFYSA-N 2 1 374.489 0.512 20 0 FCADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000884208611 1210723577 /nfs/dbraw/zinc/72/35/77/1210723577.db2.gz GFVARMPPDMJMRL-QGZVFWFLSA-N 2 1 358.486 0.693 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494199 1210739345 /nfs/dbraw/zinc/73/93/45/1210739345.db2.gz MZMOBISWRRHASN-GJZGRUSLSA-N 2 1 374.476 0.832 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000884503467 1210740628 /nfs/dbraw/zinc/74/06/28/1210740628.db2.gz LZLPSKMROZPVNA-NJAFHUGGSA-N 2 1 358.486 0.615 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000884529761 1210745783 /nfs/dbraw/zinc/74/57/83/1210745783.db2.gz VRNMJHNIWQLNLI-QGZVFWFLSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C[NH+]1CCOCC1 ZINC000884544657 1210747239 /nfs/dbraw/zinc/74/72/39/1210747239.db2.gz MIOKKRCBGQWAHT-HNNXBMFYSA-N 2 1 374.485 0.033 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000884559684 1210750801 /nfs/dbraw/zinc/75/08/01/1210750801.db2.gz BJFDCLFJLZSKSN-KZNAEPCWSA-N 2 1 374.485 0.042 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000884559990 1210752126 /nfs/dbraw/zinc/75/21/26/1210752126.db2.gz KPIAVDFWCDRKNC-RZDIXWSQSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000884559990 1210752136 /nfs/dbraw/zinc/75/21/36/1210752136.db2.gz KPIAVDFWCDRKNC-RZDIXWSQSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576921 1210755607 /nfs/dbraw/zinc/75/56/07/1210755607.db2.gz TUFQNBHVIRSFCP-YJBOKZPZSA-N 2 1 358.486 0.665 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884597460 1210757902 /nfs/dbraw/zinc/75/79/02/1210757902.db2.gz BJUPWUDMGSEASD-INIZCTEOSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608926 1210761725 /nfs/dbraw/zinc/76/17/25/1210761725.db2.gz ZMEQKLPYBSZKTP-SYNHAJSKSA-N 2 1 358.486 0.963 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000884617553 1210763346 /nfs/dbraw/zinc/76/33/46/1210763346.db2.gz OFEVKIVFWCXRJW-KDOFPFPSSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000884617553 1210763352 /nfs/dbraw/zinc/76/33/52/1210763352.db2.gz OFEVKIVFWCXRJW-KDOFPFPSSA-N 2 1 374.485 0.767 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626124 1210765982 /nfs/dbraw/zinc/76/59/82/1210765982.db2.gz BCIUEFORGBAFBB-SJORKVTESA-N 2 1 356.470 0.692 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@H+]1Cc1ccccc1 ZINC000884646579 1210772002 /nfs/dbraw/zinc/77/20/02/1210772002.db2.gz XLFYBALDTLBVLY-LNNXQNCSSA-N 2 1 370.497 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000884659918 1210774111 /nfs/dbraw/zinc/77/41/11/1210774111.db2.gz HDIPOJQZALEXLB-OTWHNJEPSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000884660521 1210774146 /nfs/dbraw/zinc/77/41/46/1210774146.db2.gz VSHFWDSUJRNKTE-ZTFGCOKTSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000884660518 1210774452 /nfs/dbraw/zinc/77/44/52/1210774452.db2.gz VSHFWDSUJRNKTE-FHLIZLRMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675065 1210776609 /nfs/dbraw/zinc/77/66/09/1210776609.db2.gz QSUXYHHDGALLGK-VQIMIIECSA-N 2 1 372.513 0.987 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884676764 1210778532 /nfs/dbraw/zinc/77/85/32/1210778532.db2.gz XGVJFOTWJVIDHW-SJLPKXTDSA-N 2 1 360.502 0.987 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884688016 1210780818 /nfs/dbraw/zinc/78/08/18/1210780818.db2.gz QBHHTKQMZZCIRL-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000884703477 1210783243 /nfs/dbraw/zinc/78/32/43/1210783243.db2.gz AUKZBBOSOFOQLO-RDJZCZTQSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000884703477 1210783248 /nfs/dbraw/zinc/78/32/48/1210783248.db2.gz AUKZBBOSOFOQLO-RDJZCZTQSA-N 2 1 362.474 0.166 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884701873 1210783531 /nfs/dbraw/zinc/78/35/31/1210783531.db2.gz QQVINMKQJVEBAI-BPQIPLTHSA-N 2 1 360.502 0.970 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000884720722 1210788384 /nfs/dbraw/zinc/78/83/84/1210788384.db2.gz TUWBYYADBAYKCJ-BPQIPLTHSA-N 2 1 358.486 0.800 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000884720724 1210788911 /nfs/dbraw/zinc/78/89/11/1210788911.db2.gz TUWBYYADBAYKCJ-RYQLBKOJSA-N 2 1 358.486 0.800 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884796561 1210795543 /nfs/dbraw/zinc/79/55/43/1210795543.db2.gz JCPMFKILAKTQSD-DOTOQJQBSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884796561 1210795549 /nfs/dbraw/zinc/79/55/49/1210795549.db2.gz JCPMFKILAKTQSD-DOTOQJQBSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884834968 1210800421 /nfs/dbraw/zinc/80/04/21/1210800421.db2.gz ICDQRBVZHFFLKF-CGTJXYLNSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884851221 1210801383 /nfs/dbraw/zinc/80/13/83/1210801383.db2.gz HAXXKQIYTAOUOL-KRWDZBQOSA-N 2 1 358.486 0.890 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884884624 1210802929 /nfs/dbraw/zinc/80/29/29/1210802929.db2.gz GRIWGLRRYJVJGK-OAHLLOKOSA-N 2 1 368.522 0.186 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000884911150 1210803828 /nfs/dbraw/zinc/80/38/28/1210803828.db2.gz KHCZZHPHEPVVKD-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CCOC ZINC000884911150 1210803831 /nfs/dbraw/zinc/80/38/31/1210803831.db2.gz KHCZZHPHEPVVKD-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884970466 1210806018 /nfs/dbraw/zinc/80/60/18/1210806018.db2.gz JPNZVPIATBWOQB-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884973993 1210806037 /nfs/dbraw/zinc/80/60/37/1210806037.db2.gz KGPDQUZDIKJYEZ-JKSUJKDBSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884974323 1210806215 /nfs/dbraw/zinc/80/62/15/1210806215.db2.gz RWIDNWQBKVQPCZ-OAHLLOKOSA-N 2 1 368.522 0.186 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982635 1210806504 /nfs/dbraw/zinc/80/65/04/1210806504.db2.gz GXTYIBDYDFBRME-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000884982445 1210806577 /nfs/dbraw/zinc/80/65/77/1210806577.db2.gz BXHNBFIDQQPPQY-GVDBMIGSSA-N 2 1 362.449 0.583 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884983485 1210806777 /nfs/dbraw/zinc/80/67/77/1210806777.db2.gz KACFSYFEUDEQEF-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884983485 1210806779 /nfs/dbraw/zinc/80/67/79/1210806779.db2.gz KACFSYFEUDEQEF-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884983358 1210806782 /nfs/dbraw/zinc/80/67/82/1210806782.db2.gz JBAJPOFLGVQQMV-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884983358 1210806784 /nfs/dbraw/zinc/80/67/84/1210806784.db2.gz JBAJPOFLGVQQMV-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000884983471 1210806879 /nfs/dbraw/zinc/80/68/79/1210806879.db2.gz JSWWJVWPFDBDRY-AEFFLSMTSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000884983471 1210806880 /nfs/dbraw/zinc/80/68/80/1210806880.db2.gz JSWWJVWPFDBDRY-AEFFLSMTSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000884984365 1210807342 /nfs/dbraw/zinc/80/73/42/1210807342.db2.gz XLRNBCGDNSAAJJ-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000884984365 1210807344 /nfs/dbraw/zinc/80/73/44/1210807344.db2.gz XLRNBCGDNSAAJJ-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000885019043 1210808843 /nfs/dbraw/zinc/80/88/43/1210808843.db2.gz YBANMQLDUKTLJU-QZTJIDSGSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000885019043 1210808846 /nfs/dbraw/zinc/80/88/46/1210808846.db2.gz YBANMQLDUKTLJU-QZTJIDSGSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000885018771 1210809000 /nfs/dbraw/zinc/80/90/00/1210809000.db2.gz SJZGOEOYPFPEAJ-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000885018771 1210809001 /nfs/dbraw/zinc/80/90/01/1210809001.db2.gz SJZGOEOYPFPEAJ-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000885140941 1210812320 /nfs/dbraw/zinc/81/23/20/1210812320.db2.gz CSVXILUSHAJHMW-PMPSAXMXSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885154426 1210813591 /nfs/dbraw/zinc/81/35/91/1210813591.db2.gz WLMUQMCAPPJEQR-FHLIZLRMSA-N 2 1 358.486 0.616 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167835 1210814406 /nfs/dbraw/zinc/81/44/06/1210814406.db2.gz PRRVOSRHVRQUMH-IPMKNSEASA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885204414 1210815503 /nfs/dbraw/zinc/81/55/03/1210815503.db2.gz LUPAPNLIVYPQDT-IYBDPMFKSA-N 2 1 367.538 0.247 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064217 1210844536 /nfs/dbraw/zinc/84/45/36/1210844536.db2.gz BYENDSFNPYSWNQ-QXCFHYIPSA-N 2 1 370.497 0.915 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081097 1210846335 /nfs/dbraw/zinc/84/63/35/1210846335.db2.gz LNTPAAWGDVSZCN-PMACEKPBSA-N 2 1 362.518 0.923 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000887924419 1210920680 /nfs/dbraw/zinc/92/06/80/1210920680.db2.gz KFRQMVOQPUPGJT-JJNZLZSFSA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000887924419 1210920684 /nfs/dbraw/zinc/92/06/84/1210920684.db2.gz KFRQMVOQPUPGJT-JJNZLZSFSA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000887924419 1210920688 /nfs/dbraw/zinc/92/06/88/1210920688.db2.gz KFRQMVOQPUPGJT-JJNZLZSFSA-N 2 1 366.481 0.145 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000890129779 1210965904 /nfs/dbraw/zinc/96/59/04/1210965904.db2.gz DGFNBTKNDWEVDT-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000890129779 1210965908 /nfs/dbraw/zinc/96/59/08/1210965908.db2.gz DGFNBTKNDWEVDT-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000890129779 1210965910 /nfs/dbraw/zinc/96/59/10/1210965910.db2.gz DGFNBTKNDWEVDT-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnc1C ZINC000890162960 1210970820 /nfs/dbraw/zinc/97/08/20/1210970820.db2.gz ULIHYZFQDHANDF-HNNXBMFYSA-N 2 1 359.474 0.922 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnc1C ZINC000890162960 1210970822 /nfs/dbraw/zinc/97/08/22/1210970822.db2.gz ULIHYZFQDHANDF-HNNXBMFYSA-N 2 1 359.474 0.922 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707586 1210985347 /nfs/dbraw/zinc/98/53/47/1210985347.db2.gz ZCMVQKSBOUPRRF-ROUUACIJSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707586 1210985353 /nfs/dbraw/zinc/98/53/53/1210985353.db2.gz ZCMVQKSBOUPRRF-ROUUACIJSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707586 1210985362 /nfs/dbraw/zinc/98/53/62/1210985362.db2.gz ZCMVQKSBOUPRRF-ROUUACIJSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707586 1210985368 /nfs/dbraw/zinc/98/53/68/1210985368.db2.gz ZCMVQKSBOUPRRF-ROUUACIJSA-N 2 1 374.485 0.331 20 0 FCADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275093057 1211175274 /nfs/dbraw/zinc/17/52/74/1211175274.db2.gz IIRCAXVZFNQITK-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)CC[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275093057 1211175277 /nfs/dbraw/zinc/17/52/77/1211175277.db2.gz IIRCAXVZFNQITK-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275093057 1211175279 /nfs/dbraw/zinc/17/52/79/1211175279.db2.gz IIRCAXVZFNQITK-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507854 1211252380 /nfs/dbraw/zinc/25/23/80/1211252380.db2.gz KXAAVQUDZDTVOC-AUUYWEPGSA-N 2 1 366.506 0.679 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1C ZINC001275556438 1211256359 /nfs/dbraw/zinc/25/63/59/1211256359.db2.gz KTYLCNMVSZFBQJ-LJQANCHMSA-N 2 1 362.474 0.798 20 0 FCADMP CCOC(=O)c1n[nH]cc1C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001275556858 1211256584 /nfs/dbraw/zinc/25/65/84/1211256584.db2.gz PDRXWBJQACQZCU-GOSISDBHSA-N 2 1 363.462 0.572 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1C ZINC001275556437 1211256659 /nfs/dbraw/zinc/25/66/59/1211256659.db2.gz KTYLCNMVSZFBQJ-IBGZPJMESA-N 2 1 362.474 0.798 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(C[C@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001275557029 1211257118 /nfs/dbraw/zinc/25/71/18/1211257118.db2.gz SVBJOGXYPRIHMC-INIZCTEOSA-N 2 1 367.490 0.393 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557529 1211257610 /nfs/dbraw/zinc/25/76/10/1211257610.db2.gz ZEXQMAPSDQJMEX-IBGZPJMESA-N 2 1 366.506 0.156 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736080 1211278518 /nfs/dbraw/zinc/27/85/18/1211278518.db2.gz AGOJMYNTVDLPJL-IBGZPJMESA-N 2 1 359.474 0.761 20 0 FCADMP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737571 1211278732 /nfs/dbraw/zinc/27/87/32/1211278732.db2.gz LNRDOTCZKBRFMV-KUHUBIRLSA-N 2 1 365.474 0.779 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001275743740 1211279930 /nfs/dbraw/zinc/27/99/30/1211279930.db2.gz WKVUPKRMMZWNDF-FQEVSTJZSA-N 3 1 366.550 0.831 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803707 1211287118 /nfs/dbraw/zinc/28/71/18/1211287118.db2.gz KOVIMYBZSTVQED-QUCCMNQESA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803707 1211287120 /nfs/dbraw/zinc/28/71/20/1211287120.db2.gz KOVIMYBZSTVQED-QUCCMNQESA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803707 1211287122 /nfs/dbraw/zinc/28/71/22/1211287122.db2.gz KOVIMYBZSTVQED-QUCCMNQESA-N 2 1 364.534 0.870 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833326 1211293713 /nfs/dbraw/zinc/29/37/13/1211293713.db2.gz BAAQBKKAIBTLTM-KXBFYZLASA-N 2 1 366.506 0.286 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552704 1211295573 /nfs/dbraw/zinc/29/55/73/1211295573.db2.gz GXSINKCSIVYNKH-MSOLQXFVSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363552704 1211295577 /nfs/dbraw/zinc/29/55/77/1211295577.db2.gz GXSINKCSIVYNKH-MSOLQXFVSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363552704 1211295579 /nfs/dbraw/zinc/29/55/79/1211295579.db2.gz GXSINKCSIVYNKH-MSOLQXFVSA-N 2 1 367.538 0.375 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CC(=O)OC(C)C)CC1 ZINC001275880180 1211304664 /nfs/dbraw/zinc/30/46/64/1211304664.db2.gz SHTNUFHBTZFOGV-UHFFFAOYSA-N 2 1 367.490 0.583 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881266 1211305039 /nfs/dbraw/zinc/30/50/39/1211305039.db2.gz YLNPIUJRRDDEFS-VQIMIIECSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881266 1211305041 /nfs/dbraw/zinc/30/50/41/1211305041.db2.gz YLNPIUJRRDDEFS-VQIMIIECSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275881266 1211305042 /nfs/dbraw/zinc/30/50/42/1211305042.db2.gz YLNPIUJRRDDEFS-VQIMIIECSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275881266 1211305044 /nfs/dbraw/zinc/30/50/44/1211305044.db2.gz YLNPIUJRRDDEFS-VQIMIIECSA-N 2 1 366.506 0.015 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881223 1211305060 /nfs/dbraw/zinc/30/50/60/1211305060.db2.gz XZUDRQXUFSCSLZ-HNAYVOBHSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881223 1211305062 /nfs/dbraw/zinc/30/50/62/1211305062.db2.gz XZUDRQXUFSCSLZ-HNAYVOBHSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O)OC ZINC001275881223 1211305065 /nfs/dbraw/zinc/30/50/65/1211305065.db2.gz XZUDRQXUFSCSLZ-HNAYVOBHSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O)OC ZINC001275881223 1211305067 /nfs/dbraw/zinc/30/50/67/1211305067.db2.gz XZUDRQXUFSCSLZ-HNAYVOBHSA-N 2 1 367.490 0.788 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)NC[C@@H]3CCC(=O)N3)CC2)C1 ZINC001275881345 1211305561 /nfs/dbraw/zinc/30/55/61/1211305561.db2.gz ZDEWWEFCKUTTIS-YESZJQIVSA-N 2 1 362.518 0.825 20 0 FCADMP CN1CCC[C@H](C[N@H+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878649 1211305655 /nfs/dbraw/zinc/30/56/55/1211305655.db2.gz MJHFBSGXJHMTOH-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878649 1211305657 /nfs/dbraw/zinc/30/56/57/1211305657.db2.gz MJHFBSGXJHMTOH-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878649 1211305659 /nfs/dbraw/zinc/30/56/59/1211305659.db2.gz MJHFBSGXJHMTOH-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878649 1211305662 /nfs/dbraw/zinc/30/56/62/1211305662.db2.gz MJHFBSGXJHMTOH-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001095424591 1211334073 /nfs/dbraw/zinc/33/40/73/1211334073.db2.gz WHSIWRYDFOTKBE-YRXWBPOGSA-N 2 1 370.497 0.949 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4c3OCO4)C2)OCC1=O ZINC001276131006 1211362349 /nfs/dbraw/zinc/36/23/49/1211362349.db2.gz SHYQSBYILLDOJJ-IBGZPJMESA-N 2 1 361.442 0.780 20 0 FCADMP CCCn1ncc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001276180774 1211374930 /nfs/dbraw/zinc/37/49/30/1211374930.db2.gz KCUIHUWNMPEPLV-IBGZPJMESA-N 2 1 363.506 0.966 20 0 FCADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001276258491 1211395747 /nfs/dbraw/zinc/39/57/47/1211395747.db2.gz BUGZWJOJNQCBBJ-IBGZPJMESA-N 2 1 359.474 0.875 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CCCC2)CC1 ZINC000545176907 1211414581 /nfs/dbraw/zinc/41/45/81/1211414581.db2.gz QZNFUXQMJVNTCQ-LJQANCHMSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)N1CCN(c2ccccn2)CC1 ZINC000925545554 1211502226 /nfs/dbraw/zinc/50/22/26/1211502226.db2.gz YZALTVBZNQVWRD-DAELLWKTSA-N 2 1 355.486 0.706 20 0 FCADMP C(C[N@@H+]1CCC[C@H](N[C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768336 1211508263 /nfs/dbraw/zinc/50/82/63/1211508263.db2.gz JOUHUBZNSWRZHB-MUGJNUQGSA-N 2 1 366.550 0.530 20 0 FCADMP C(C[N@H+]1CCC[C@H](N[C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768336 1211508267 /nfs/dbraw/zinc/50/82/67/1211508267.db2.gz JOUHUBZNSWRZHB-MUGJNUQGSA-N 2 1 366.550 0.530 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000926292289 1211527207 /nfs/dbraw/zinc/52/72/07/1211527207.db2.gz YQDCAMJLEBFSGZ-GOSISDBHSA-N 2 1 358.486 0.571 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000926322472 1211530208 /nfs/dbraw/zinc/53/02/08/1211530208.db2.gz WJQDLCUSQAJIPA-NCOADZHNSA-N 2 1 366.506 0.284 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000927648399 1211578626 /nfs/dbraw/zinc/57/86/26/1211578626.db2.gz KCFZSQRKENTOCL-OKZBNKHCSA-N 2 1 366.506 0.480 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000927899377 1211591354 /nfs/dbraw/zinc/59/13/54/1211591354.db2.gz RUZPURWLMSRLTE-UONOGXRCSA-N 2 1 373.457 0.193 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@H]2CC[NH+]2C)c1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556212 1211604299 /nfs/dbraw/zinc/60/42/99/1211604299.db2.gz NQSYADBTCYWZGE-HUUCEWRRSA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@H]2CC[N@@H+]2C)c1C(=O)NC[C@H]1CC[NH+]1C ZINC000928556212 1211604305 /nfs/dbraw/zinc/60/43/05/1211604305.db2.gz NQSYADBTCYWZGE-HUUCEWRRSA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@H]2CC[N@H+]2C)c1C(=O)NC[C@H]1CC[NH+]1C ZINC000928556212 1211604306 /nfs/dbraw/zinc/60/43/06/1211604306.db2.gz NQSYADBTCYWZGE-HUUCEWRRSA-N 2 1 361.490 0.130 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001110956724 1211615072 /nfs/dbraw/zinc/61/50/72/1211615072.db2.gz WVPDKEPJPUHUDE-VQHPVUNQSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000931488405 1211757402 /nfs/dbraw/zinc/75/74/02/1211757402.db2.gz RRPMFCOLCCMMCM-OAHLLOKOSA-N 2 1 363.458 0.331 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931612711 1211763359 /nfs/dbraw/zinc/76/33/59/1211763359.db2.gz YVSJNQRKZUGQGO-HNNXBMFYSA-N 2 1 361.490 0.858 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000931611478 1211763488 /nfs/dbraw/zinc/76/34/88/1211763488.db2.gz VEIHCNONBMUEFY-PBHICJAKSA-N 2 1 359.474 0.707 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931873545 1211776567 /nfs/dbraw/zinc/77/65/67/1211776567.db2.gz QIOGBGVATKMCPR-AWEZNQCLSA-N 2 1 368.428 0.675 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931873545 1211776570 /nfs/dbraw/zinc/77/65/70/1211776570.db2.gz QIOGBGVATKMCPR-AWEZNQCLSA-N 2 1 368.428 0.675 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446859 1225316372 /nfs/dbraw/zinc/31/63/72/1225316372.db2.gz XIGAJQQNRFPRRO-OWCLPIDISA-N 2 1 365.522 0.711 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446859 1225316377 /nfs/dbraw/zinc/31/63/77/1225316377.db2.gz XIGAJQQNRFPRRO-OWCLPIDISA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446859 1225316383 /nfs/dbraw/zinc/31/63/83/1225316383.db2.gz XIGAJQQNRFPRRO-OWCLPIDISA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221446859 1225316386 /nfs/dbraw/zinc/31/63/86/1225316386.db2.gz XIGAJQQNRFPRRO-OWCLPIDISA-N 2 1 365.522 0.711 20 0 FCADMP CCOC(=O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](C(=O)OCC)C3)COC2)C1 ZINC000932646808 1211815450 /nfs/dbraw/zinc/81/54/50/1211815450.db2.gz UEOXOAXCDWBKKR-HZPDHXFCSA-N 2 1 368.474 0.773 20 0 FCADMP CCOC(=O)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C(=O)OCC)C3)COC2)C1 ZINC000932646808 1211815451 /nfs/dbraw/zinc/81/54/51/1211815451.db2.gz UEOXOAXCDWBKKR-HZPDHXFCSA-N 2 1 368.474 0.773 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000932819384 1211823390 /nfs/dbraw/zinc/82/33/90/1211823390.db2.gz VODXWAQNEUMWFU-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000932819384 1211823394 /nfs/dbraw/zinc/82/33/94/1211823394.db2.gz VODXWAQNEUMWFU-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001111099991 1211880521 /nfs/dbraw/zinc/88/05/21/1211880521.db2.gz ZEIONBPZEBAYFN-KURKYZTESA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001111099991 1211880523 /nfs/dbraw/zinc/88/05/23/1211880523.db2.gz ZEIONBPZEBAYFN-KURKYZTESA-N 2 1 362.518 0.966 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001111150837 1211900589 /nfs/dbraw/zinc/90/05/89/1211900589.db2.gz UPIROJJVRRZCPQ-ZACQAIPSSA-N 2 1 357.462 0.985 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001111150837 1211900591 /nfs/dbraw/zinc/90/05/91/1211900591.db2.gz UPIROJJVRRZCPQ-ZACQAIPSSA-N 2 1 357.462 0.985 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111150017 1211901153 /nfs/dbraw/zinc/90/11/53/1211901153.db2.gz FPLQMRIYCGUCAL-ZACQAIPSSA-N 2 1 374.489 0.718 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111150017 1211901155 /nfs/dbraw/zinc/90/11/55/1211901155.db2.gz FPLQMRIYCGUCAL-ZACQAIPSSA-N 2 1 374.489 0.718 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001111197407 1211923187 /nfs/dbraw/zinc/92/31/87/1211923187.db2.gz XCEWVLCJLYUMBI-SIXLDLHFSA-N 2 1 364.490 0.049 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001111197407 1211923189 /nfs/dbraw/zinc/92/31/89/1211923189.db2.gz XCEWVLCJLYUMBI-SIXLDLHFSA-N 2 1 364.490 0.049 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1)C1CCC1 ZINC000968604069 1212042792 /nfs/dbraw/zinc/04/27/92/1212042792.db2.gz AMNGTAGYJUCENS-SJORKVTESA-N 2 1 371.441 0.349 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC000968728407 1212102145 /nfs/dbraw/zinc/10/21/45/1212102145.db2.gz NGGWYEMLDPOCEE-RBSFLKMASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000948995029 1212272950 /nfs/dbraw/zinc/27/29/50/1212272950.db2.gz ODDXIKDXOFTBIR-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000948995029 1212272953 /nfs/dbraw/zinc/27/29/53/1212272953.db2.gz ODDXIKDXOFTBIR-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001007370191 1212464277 /nfs/dbraw/zinc/46/42/77/1212464277.db2.gz XFMBTGIPXFJNEU-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001007370191 1212464281 /nfs/dbraw/zinc/46/42/81/1212464281.db2.gz XFMBTGIPXFJNEU-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001007370191 1212464286 /nfs/dbraw/zinc/46/42/86/1212464286.db2.gz XFMBTGIPXFJNEU-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007481541 1212502747 /nfs/dbraw/zinc/50/27/47/1212502747.db2.gz NNZFVSBHEJHCFD-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001007482177 1212503365 /nfs/dbraw/zinc/50/33/65/1212503365.db2.gz CAMGAWXMLCPFQQ-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP COc1ccncc1CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000950243776 1212539594 /nfs/dbraw/zinc/53/95/94/1212539594.db2.gz MERIBQJDZVNWKA-VNQPRFMTSA-N 2 1 360.458 0.690 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC000950247856 1212542143 /nfs/dbraw/zinc/54/21/43/1212542143.db2.gz HKAOLNITCCHJGD-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC000950247856 1212542144 /nfs/dbraw/zinc/54/21/44/1212542144.db2.gz HKAOLNITCCHJGD-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001111312411 1212553887 /nfs/dbraw/zinc/55/38/87/1212553887.db2.gz FWMKOQSRCWYRCT-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001111312411 1212553893 /nfs/dbraw/zinc/55/38/93/1212553893.db2.gz FWMKOQSRCWYRCT-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001111312411 1212553897 /nfs/dbraw/zinc/55/38/97/1212553897.db2.gz FWMKOQSRCWYRCT-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001111312411 1212553902 /nfs/dbraw/zinc/55/39/02/1212553902.db2.gz FWMKOQSRCWYRCT-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000950791703 1212674844 /nfs/dbraw/zinc/67/48/44/1212674844.db2.gz AWZCITNUTGAWMR-XOKHGSTOSA-N 2 1 371.441 0.384 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620461 1225400297 /nfs/dbraw/zinc/40/02/97/1225400297.db2.gz GHWUZHMEQNPCIA-SJLPKXTDSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620461 1225400301 /nfs/dbraw/zinc/40/03/01/1225400301.db2.gz GHWUZHMEQNPCIA-SJLPKXTDSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620461 1225400308 /nfs/dbraw/zinc/40/03/08/1225400308.db2.gz GHWUZHMEQNPCIA-SJLPKXTDSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001691736954 1212821811 /nfs/dbraw/zinc/82/18/11/1212821811.db2.gz BXUMSASABQRXSH-WBVHZDCISA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001691736954 1212821812 /nfs/dbraw/zinc/82/18/12/1212821812.db2.gz BXUMSASABQRXSH-WBVHZDCISA-N 2 1 361.490 0.975 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627474 1225405862 /nfs/dbraw/zinc/40/58/62/1225405862.db2.gz MSAAGAMCGJYGGR-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627474 1225405868 /nfs/dbraw/zinc/40/58/68/1225405868.db2.gz MSAAGAMCGJYGGR-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627474 1225405871 /nfs/dbraw/zinc/40/58/71/1225405871.db2.gz MSAAGAMCGJYGGR-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627474 1225405876 /nfs/dbraw/zinc/40/58/76/1225405876.db2.gz MSAAGAMCGJYGGR-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627473 1225405958 /nfs/dbraw/zinc/40/59/58/1225405958.db2.gz MSAAGAMCGJYGGR-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627473 1225405962 /nfs/dbraw/zinc/40/59/62/1225405962.db2.gz MSAAGAMCGJYGGR-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627473 1225405968 /nfs/dbraw/zinc/40/59/68/1225405968.db2.gz MSAAGAMCGJYGGR-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221627473 1225405971 /nfs/dbraw/zinc/40/59/71/1225405971.db2.gz MSAAGAMCGJYGGR-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000952335124 1212939904 /nfs/dbraw/zinc/93/99/04/1212939904.db2.gz KJKVBUWHVFPGIX-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000952335124 1212939908 /nfs/dbraw/zinc/93/99/08/1212939908.db2.gz KJKVBUWHVFPGIX-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000952724096 1212973691 /nfs/dbraw/zinc/97/36/91/1212973691.db2.gz FXNZREOYCCSVRM-MDMSPXHWSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000952724096 1212973695 /nfs/dbraw/zinc/97/36/95/1212973695.db2.gz FXNZREOYCCSVRM-MDMSPXHWSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000952724096 1212973699 /nfs/dbraw/zinc/97/36/99/1212973699.db2.gz FXNZREOYCCSVRM-MDMSPXHWSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000954644358 1213095013 /nfs/dbraw/zinc/09/50/13/1213095013.db2.gz WGDNVLOAFKRIGL-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648030 1213097216 /nfs/dbraw/zinc/09/72/16/1213097216.db2.gz HPZCPXWBVHCLCM-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648030 1213097221 /nfs/dbraw/zinc/09/72/21/1213097221.db2.gz HPZCPXWBVHCLCM-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954648030 1213097227 /nfs/dbraw/zinc/09/72/27/1213097227.db2.gz HPZCPXWBVHCLCM-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954648030 1213097232 /nfs/dbraw/zinc/09/72/32/1213097232.db2.gz HPZCPXWBVHCLCM-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954649685 1213098066 /nfs/dbraw/zinc/09/80/66/1213098066.db2.gz RVESJSULIAFGRA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954649685 1213098068 /nfs/dbraw/zinc/09/80/68/1213098068.db2.gz RVESJSULIAFGRA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954649685 1213098071 /nfs/dbraw/zinc/09/80/71/1213098071.db2.gz RVESJSULIAFGRA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954649685 1213098072 /nfs/dbraw/zinc/09/80/72/1213098072.db2.gz RVESJSULIAFGRA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954649685 1213098076 /nfs/dbraw/zinc/09/80/76/1213098076.db2.gz RVESJSULIAFGRA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000956078785 1213170437 /nfs/dbraw/zinc/17/04/37/1213170437.db2.gz ZCQPBGADOKPIMM-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000956078785 1213170441 /nfs/dbraw/zinc/17/04/41/1213170441.db2.gz ZCQPBGADOKPIMM-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799308 1213216287 /nfs/dbraw/zinc/21/62/87/1213216287.db2.gz TXPARWNYYWLVDR-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641799308 1213216288 /nfs/dbraw/zinc/21/62/88/1213216288.db2.gz TXPARWNYYWLVDR-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641799308 1213216290 /nfs/dbraw/zinc/21/62/90/1213216290.db2.gz TXPARWNYYWLVDR-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958217984 1213391141 /nfs/dbraw/zinc/39/11/41/1213391141.db2.gz DCXROGKLXCXZEJ-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693123 1225446304 /nfs/dbraw/zinc/44/63/04/1225446304.db2.gz CCEMPMNSGSZUCR-RVKKMQEKSA-N 2 1 362.474 0.302 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693123 1225446307 /nfs/dbraw/zinc/44/63/07/1225446307.db2.gz CCEMPMNSGSZUCR-RVKKMQEKSA-N 2 1 362.474 0.302 20 0 FCADMP CCOC(=O)CC[N@H+]1CCOC[C@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276318073 1213404099 /nfs/dbraw/zinc/40/40/99/1213404099.db2.gz UAWQOPVMTUQURZ-GOSISDBHSA-N 2 1 364.446 0.424 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000959659207 1213489647 /nfs/dbraw/zinc/48/96/47/1213489647.db2.gz UJWRNLSRWUNAPH-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000959659207 1213489651 /nfs/dbraw/zinc/48/96/51/1213489651.db2.gz UJWRNLSRWUNAPH-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771537 1225476003 /nfs/dbraw/zinc/47/60/03/1225476003.db2.gz ACRKTQSZCOWDSQ-FGTMMUONSA-N 2 1 367.534 0.894 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CCC1 ZINC000960415732 1213747392 /nfs/dbraw/zinc/74/73/92/1213747392.db2.gz NQUZBMXNMNIRIT-DLBZAZTESA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001010667850 1213807735 /nfs/dbraw/zinc/80/77/35/1213807735.db2.gz QTFBWABQWOTVMX-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001010667850 1213807738 /nfs/dbraw/zinc/80/77/38/1213807738.db2.gz QTFBWABQWOTVMX-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001010667850 1213807740 /nfs/dbraw/zinc/80/77/40/1213807740.db2.gz QTFBWABQWOTVMX-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001221793289 1225482147 /nfs/dbraw/zinc/48/21/47/1225482147.db2.gz ZMCRNMCBZVPOFH-SOLBZPMBSA-N 2 1 365.474 0.642 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793250 1225482945 /nfs/dbraw/zinc/48/29/45/1225482945.db2.gz XVLFIKYAZFVRMP-KZNAEPCWSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCN2CCCC2=O)CC3)CC[N@H+]1C ZINC001016634031 1214024990 /nfs/dbraw/zinc/02/49/90/1214024990.db2.gz ZIOQAHQOJXVOKS-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825633 1225505589 /nfs/dbraw/zinc/50/55/89/1225505589.db2.gz WIXQYOUETYDHCO-QUCCMNQESA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825633 1225505593 /nfs/dbraw/zinc/50/55/93/1225505593.db2.gz WIXQYOUETYDHCO-QUCCMNQESA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@H](O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825633 1225505597 /nfs/dbraw/zinc/50/55/97/1225505597.db2.gz WIXQYOUETYDHCO-QUCCMNQESA-N 2 1 366.550 0.565 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419537670 1214216162 /nfs/dbraw/zinc/21/61/62/1214216162.db2.gz VYODGMHGCSUNIC-PLMTUMEDSA-N 2 1 370.497 0.978 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001020175461 1214317352 /nfs/dbraw/zinc/31/73/52/1214317352.db2.gz PUPIVZIIVJQBHN-YHUYYLMFSA-N 2 1 363.510 0.940 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001020175461 1214317358 /nfs/dbraw/zinc/31/73/58/1214317358.db2.gz PUPIVZIIVJQBHN-YHUYYLMFSA-N 2 1 363.510 0.940 20 0 FCADMP CCOc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287769 1214329067 /nfs/dbraw/zinc/32/90/67/1214329067.db2.gz JZDIJLBFMRPOPX-MWQQHZPXSA-N 2 1 362.474 0.936 20 0 FCADMP CCOc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287769 1214329075 /nfs/dbraw/zinc/32/90/75/1214329075.db2.gz JZDIJLBFMRPOPX-MWQQHZPXSA-N 2 1 362.474 0.936 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001039865905 1214450761 /nfs/dbraw/zinc/45/07/61/1214450761.db2.gz UVKUNOACDRKXET-FRQCXROJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001039865905 1214450767 /nfs/dbraw/zinc/45/07/67/1214450767.db2.gz UVKUNOACDRKXET-FRQCXROJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001039865905 1214450769 /nfs/dbraw/zinc/45/07/69/1214450769.db2.gz UVKUNOACDRKXET-FRQCXROJSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001040902351 1214618185 /nfs/dbraw/zinc/61/81/85/1214618185.db2.gz RJHMMLPEMWYUCR-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001040902351 1214618189 /nfs/dbraw/zinc/61/81/89/1214618189.db2.gz RJHMMLPEMWYUCR-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001040902351 1214618193 /nfs/dbraw/zinc/61/81/93/1214618193.db2.gz RJHMMLPEMWYUCR-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221947222 1225547713 /nfs/dbraw/zinc/54/77/13/1225547713.db2.gz YGMQWUIJPIHHDZ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221947222 1225547717 /nfs/dbraw/zinc/54/77/17/1225547717.db2.gz YGMQWUIJPIHHDZ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949591 1225548070 /nfs/dbraw/zinc/54/80/70/1225548070.db2.gz CNRAJRAOPJOWMB-FGTMMUONSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)C[NH+]2CCCC2)CC3)CC[N@H+]1C ZINC000963923425 1214875367 /nfs/dbraw/zinc/87/53/67/1214875367.db2.gz CVSJNMDDYKHXOA-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)O1 ZINC000964546853 1214976709 /nfs/dbraw/zinc/97/67/09/1214976709.db2.gz LQSFNRKCLCDPPQ-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)O1 ZINC000964546853 1214976711 /nfs/dbraw/zinc/97/67/11/1214976711.db2.gz LQSFNRKCLCDPPQ-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC000964546853 1214976717 /nfs/dbraw/zinc/97/67/17/1214976717.db2.gz LQSFNRKCLCDPPQ-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)O1 ZINC000964546853 1214976718 /nfs/dbraw/zinc/97/67/18/1214976718.db2.gz LQSFNRKCLCDPPQ-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000968009425 1215271833 /nfs/dbraw/zinc/27/18/33/1215271833.db2.gz KQVYGYZUCNSJRX-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000968009425 1215271836 /nfs/dbraw/zinc/27/18/36/1215271836.db2.gz KQVYGYZUCNSJRX-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000968009425 1215271839 /nfs/dbraw/zinc/27/18/39/1215271839.db2.gz KQVYGYZUCNSJRX-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP O=C1NCC[C@]12C[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520791 1225630743 /nfs/dbraw/zinc/63/07/43/1225630743.db2.gz JXCRYWBSOBKVNZ-FQEVSTJZSA-N 3 1 355.486 0.008 20 0 FCADMP O=C1NCC[C@]12CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520791 1225630748 /nfs/dbraw/zinc/63/07/48/1225630748.db2.gz JXCRYWBSOBKVNZ-FQEVSTJZSA-N 2 1 355.486 0.008 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055966869 1215929403 /nfs/dbraw/zinc/92/94/03/1215929403.db2.gz LBZJRFQKWTVMMC-MDZRGWNJSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055966869 1215929409 /nfs/dbraw/zinc/92/94/09/1215929409.db2.gz LBZJRFQKWTVMMC-MDZRGWNJSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966869 1215929413 /nfs/dbraw/zinc/92/94/13/1215929413.db2.gz LBZJRFQKWTVMMC-MDZRGWNJSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001055968181 1215930260 /nfs/dbraw/zinc/93/02/60/1215930260.db2.gz VLFZMXLXKXOCLN-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455685 1215972544 /nfs/dbraw/zinc/97/25/44/1215972544.db2.gz GWZVHVNBOYKCPP-LTIDMASMSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455685 1215972549 /nfs/dbraw/zinc/97/25/49/1215972549.db2.gz GWZVHVNBOYKCPP-LTIDMASMSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835459 1216118646 /nfs/dbraw/zinc/11/86/46/1216118646.db2.gz BGWDEBXNXGTVEM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835459 1216118650 /nfs/dbraw/zinc/11/86/50/1216118650.db2.gz BGWDEBXNXGTVEM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835459 1216118651 /nfs/dbraw/zinc/11/86/51/1216118651.db2.gz BGWDEBXNXGTVEM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001000835459 1216118652 /nfs/dbraw/zinc/11/86/52/1216118652.db2.gz BGWDEBXNXGTVEM-HYVNUMGLSA-N 2 1 364.490 0.075 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001050335946 1216308775 /nfs/dbraw/zinc/30/87/75/1216308775.db2.gz FWPRBSPQQZJVBZ-DTZQCDIJSA-N 2 1 365.478 0.862 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001050335946 1216308779 /nfs/dbraw/zinc/30/87/79/1216308779.db2.gz FWPRBSPQQZJVBZ-DTZQCDIJSA-N 2 1 365.478 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N2CCCC2)CC3)CC[N@H+]1C ZINC001050523935 1216330567 /nfs/dbraw/zinc/33/05/67/1216330567.db2.gz MOJPBSHNTNSWTP-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050523842 1216330973 /nfs/dbraw/zinc/33/09/73/1216330973.db2.gz KDWAAFJFFPTGOL-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CNC(=O)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291680 1216426848 /nfs/dbraw/zinc/42/68/48/1216426848.db2.gz YJONZWZOEXTAIJ-RHSMWYFYSA-N 2 1 358.486 0.747 20 0 FCADMP CNC(=O)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291680 1216426850 /nfs/dbraw/zinc/42/68/50/1216426850.db2.gz YJONZWZOEXTAIJ-RHSMWYFYSA-N 2 1 358.486 0.747 20 0 FCADMP CNC(=O)C[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291680 1216426855 /nfs/dbraw/zinc/42/68/55/1216426855.db2.gz YJONZWZOEXTAIJ-RHSMWYFYSA-N 2 1 358.486 0.747 20 0 FCADMP CNC(=O)C[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291680 1216426859 /nfs/dbraw/zinc/42/68/59/1216426859.db2.gz YJONZWZOEXTAIJ-RHSMWYFYSA-N 2 1 358.486 0.747 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624672 1216469149 /nfs/dbraw/zinc/46/91/49/1216469149.db2.gz SKAPNDFNWRGVSK-OWCLPIDISA-N 2 1 364.494 0.264 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccn(CC)n3)C2)CC[N@H+]1C ZINC001051624929 1216470384 /nfs/dbraw/zinc/47/03/84/1216470384.db2.gz VZBMVBIKGSBPKO-OKZBNKHCSA-N 2 1 363.506 0.950 20 0 FCADMP Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680044 1216475020 /nfs/dbraw/zinc/47/50/20/1216475020.db2.gz KBTQDLPZBZYILH-FHLIZLRMSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680044 1216475025 /nfs/dbraw/zinc/47/50/25/1216475025.db2.gz KBTQDLPZBZYILH-FHLIZLRMSA-N 2 1 362.474 0.426 20 0 FCADMP CC(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043163 1216491008 /nfs/dbraw/zinc/49/10/08/1216491008.db2.gz QPMRRCAOGGVXKE-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043163 1216491010 /nfs/dbraw/zinc/49/10/10/1216491010.db2.gz QPMRRCAOGGVXKE-GUDVDZBRSA-N 2 1 366.550 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738876 1216529600 /nfs/dbraw/zinc/52/96/00/1216529600.db2.gz HIIFAZRXYGOLMK-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738876 1216529608 /nfs/dbraw/zinc/52/96/08/1216529608.db2.gz HIIFAZRXYGOLMK-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738876 1216529613 /nfs/dbraw/zinc/52/96/13/1216529613.db2.gz HIIFAZRXYGOLMK-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115715 1225682645 /nfs/dbraw/zinc/68/26/45/1225682645.db2.gz JNTVYCHKHLVKIN-JLSDUUJJSA-N 2 1 358.442 0.878 20 0 FCADMP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115712 1225682856 /nfs/dbraw/zinc/68/28/56/1225682856.db2.gz JMWKACAOZLQLML-DOMZBBRYSA-N 2 1 370.413 0.066 20 0 FCADMP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115712 1225682860 /nfs/dbraw/zinc/68/28/60/1225682860.db2.gz JMWKACAOZLQLML-DOMZBBRYSA-N 2 1 370.413 0.066 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2ccnc(N3CCOCC3)c2)CCC1=O ZINC001137439147 1216629058 /nfs/dbraw/zinc/62/90/58/1216629058.db2.gz HYBXASAKTFPTAU-UHFFFAOYSA-N 2 1 361.490 0.514 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccnc(N3CCOCC3)c2)CCC1=O ZINC001137439147 1216629063 /nfs/dbraw/zinc/62/90/63/1216629063.db2.gz HYBXASAKTFPTAU-UHFFFAOYSA-N 2 1 361.490 0.514 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CN1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000682035318 1216655782 /nfs/dbraw/zinc/65/57/82/1216655782.db2.gz LNLCHFVOWHRQKE-GOSISDBHSA-N 2 1 362.518 0.794 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)O1 ZINC001067712820 1216695470 /nfs/dbraw/zinc/69/54/70/1216695470.db2.gz QZGIEYRDWCWKSY-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)O1 ZINC001067712820 1216695471 /nfs/dbraw/zinc/69/54/71/1216695471.db2.gz QZGIEYRDWCWKSY-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP CCC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712361 1216695667 /nfs/dbraw/zinc/69/56/67/1216695667.db2.gz IAIUDUYGLOICCI-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712361 1216695668 /nfs/dbraw/zinc/69/56/68/1216695668.db2.gz IAIUDUYGLOICCI-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP CCC[NH+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712361 1216695672 /nfs/dbraw/zinc/69/56/72/1216695672.db2.gz IAIUDUYGLOICCI-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP CCC[NH+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712361 1216695675 /nfs/dbraw/zinc/69/56/75/1216695675.db2.gz IAIUDUYGLOICCI-IAGOWNOFSA-N 2 1 370.538 0.744 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712712 1216696425 /nfs/dbraw/zinc/69/64/25/1216696425.db2.gz KYXNFSANLJADBK-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712712 1216696427 /nfs/dbraw/zinc/69/64/27/1216696427.db2.gz KYXNFSANLJADBK-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712712 1216696431 /nfs/dbraw/zinc/69/64/31/1216696431.db2.gz KYXNFSANLJADBK-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712712 1216696434 /nfs/dbraw/zinc/69/64/34/1216696434.db2.gz KYXNFSANLJADBK-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401477 1216730469 /nfs/dbraw/zinc/73/04/69/1216730469.db2.gz JEERPKGOVSLKNC-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068400000 1216730999 /nfs/dbraw/zinc/73/09/99/1216730999.db2.gz WIMXKJDMXRXEQO-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001069038577 1216773491 /nfs/dbraw/zinc/77/34/91/1216773491.db2.gz GFPDFCXLLUZKAN-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001069038577 1216773493 /nfs/dbraw/zinc/77/34/93/1216773493.db2.gz GFPDFCXLLUZKAN-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001069038577 1216773496 /nfs/dbraw/zinc/77/34/96/1216773496.db2.gz GFPDFCXLLUZKAN-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902715 1216828170 /nfs/dbraw/zinc/82/81/70/1216828170.db2.gz LDFGSLBEMFTMTL-KFWWJZLASA-N 2 1 368.432 0.759 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902715 1216828171 /nfs/dbraw/zinc/82/81/71/1216828171.db2.gz LDFGSLBEMFTMTL-KFWWJZLASA-N 2 1 368.432 0.759 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902715 1216828176 /nfs/dbraw/zinc/82/81/76/1216828176.db2.gz LDFGSLBEMFTMTL-KFWWJZLASA-N 2 1 368.432 0.759 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001069902715 1216828177 /nfs/dbraw/zinc/82/81/77/1216828177.db2.gz LDFGSLBEMFTMTL-KFWWJZLASA-N 2 1 368.432 0.759 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001069945765 1216859451 /nfs/dbraw/zinc/85/94/51/1216859451.db2.gz VKXNHQSFSVXCGT-PMPSAXMXSA-N 2 1 355.446 0.804 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001069945765 1216859452 /nfs/dbraw/zinc/85/94/52/1216859452.db2.gz VKXNHQSFSVXCGT-PMPSAXMXSA-N 2 1 355.446 0.804 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006061 1216893189 /nfs/dbraw/zinc/89/31/89/1216893189.db2.gz BCXYNZIBPUJWOU-BBWFWOEESA-N 2 1 364.494 0.124 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006061 1216893190 /nfs/dbraw/zinc/89/31/90/1216893190.db2.gz BCXYNZIBPUJWOU-BBWFWOEESA-N 2 1 364.494 0.124 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006061 1216893191 /nfs/dbraw/zinc/89/31/91/1216893191.db2.gz BCXYNZIBPUJWOU-BBWFWOEESA-N 2 1 364.494 0.124 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@@H+]1C ZINC001041302070 1217273977 /nfs/dbraw/zinc/27/39/77/1217273977.db2.gz TUXASPXXMCDOTJ-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@H+]1C ZINC001041302070 1217273982 /nfs/dbraw/zinc/27/39/82/1217273982.db2.gz TUXASPXXMCDOTJ-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001041302070 1217273988 /nfs/dbraw/zinc/27/39/88/1217273988.db2.gz TUXASPXXMCDOTJ-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001041302070 1217273994 /nfs/dbraw/zinc/27/39/94/1217273994.db2.gz TUXASPXXMCDOTJ-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276917950 1225733884 /nfs/dbraw/zinc/73/38/84/1225733884.db2.gz JUXVFCJNZFJOMA-GOSISDBHSA-N 2 1 363.462 0.055 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)nc(C)[nH+]1 ZINC001041429161 1217328373 /nfs/dbraw/zinc/32/83/73/1217328373.db2.gz DYLBHLJYURYDKP-BRWVUGGUSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)nc(C)[nH+]1 ZINC001041429161 1217328379 /nfs/dbraw/zinc/32/83/79/1217328379.db2.gz DYLBHLJYURYDKP-BRWVUGGUSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223846949 1225739847 /nfs/dbraw/zinc/73/98/47/1225739847.db2.gz VCLCRLYZLADMKM-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223846949 1225739850 /nfs/dbraw/zinc/73/98/50/1225739850.db2.gz VCLCRLYZLADMKM-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223846949 1225739856 /nfs/dbraw/zinc/73/98/56/1225739856.db2.gz VCLCRLYZLADMKM-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001042898091 1217503850 /nfs/dbraw/zinc/50/38/50/1217503850.db2.gz QGIZDDSAQPDFCQ-GVDBMIGSSA-N 2 1 359.474 0.755 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223962008 1225749244 /nfs/dbraw/zinc/74/92/44/1225749244.db2.gz FUYHFCZZLYBTNB-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223962008 1225749246 /nfs/dbraw/zinc/74/92/46/1225749246.db2.gz FUYHFCZZLYBTNB-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223962008 1225749249 /nfs/dbraw/zinc/74/92/49/1225749249.db2.gz FUYHFCZZLYBTNB-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@H+]4CCC[C@@H]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043791866 1217745249 /nfs/dbraw/zinc/74/52/49/1217745249.db2.gz VHLADLJOSSSRPC-BHYGNILZSA-N 2 1 359.474 0.994 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@@H+]4CCC[C@@H]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043791866 1217745252 /nfs/dbraw/zinc/74/52/52/1217745252.db2.gz VHLADLJOSSSRPC-BHYGNILZSA-N 2 1 359.474 0.994 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001096014010 1217913818 /nfs/dbraw/zinc/91/38/18/1217913818.db2.gz WDKQFPWLANRWSH-WCVJEAGWSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001096014010 1217913822 /nfs/dbraw/zinc/91/38/22/1217913822.db2.gz WDKQFPWLANRWSH-WCVJEAGWSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001096014010 1217913827 /nfs/dbraw/zinc/91/38/27/1217913827.db2.gz WDKQFPWLANRWSH-WCVJEAGWSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001096014010 1217913829 /nfs/dbraw/zinc/91/38/29/1217913829.db2.gz WDKQFPWLANRWSH-WCVJEAGWSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H](CO)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276973621 1225780456 /nfs/dbraw/zinc/78/04/56/1225780456.db2.gz GMEDSNHIZLILNR-SFHVURJKSA-N 2 1 366.550 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCn2cncn2)O1 ZINC001045802532 1217961235 /nfs/dbraw/zinc/96/12/35/1217961235.db2.gz GAAZCPAJKYTLEP-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCn2cncn2)O1 ZINC001045802532 1217961237 /nfs/dbraw/zinc/96/12/37/1217961237.db2.gz GAAZCPAJKYTLEP-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)O1 ZINC001045802532 1217961244 /nfs/dbraw/zinc/96/12/44/1217961244.db2.gz GAAZCPAJKYTLEP-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)O1 ZINC001045802532 1217961248 /nfs/dbraw/zinc/96/12/48/1217961248.db2.gz GAAZCPAJKYTLEP-WCXIOVBPSA-N 2 1 362.478 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276981865 1225784791 /nfs/dbraw/zinc/78/47/91/1225784791.db2.gz IKUZEJDUKABAAW-XLIONFOSSA-N 2 1 358.486 0.612 20 0 FCADMP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900670747 1218022712 /nfs/dbraw/zinc/02/27/12/1218022712.db2.gz VWJINBDTSBBWFJ-KRWDZBQOSA-N 3 1 362.522 0.685 20 0 FCADMP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900670747 1218022715 /nfs/dbraw/zinc/02/27/15/1218022715.db2.gz VWJINBDTSBBWFJ-KRWDZBQOSA-N 3 1 362.522 0.685 20 0 FCADMP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900808767 1218040551 /nfs/dbraw/zinc/04/05/51/1218040551.db2.gz WUZKFIJANJWLGX-QZTJIDSGSA-N 2 1 374.533 0.344 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001096106218 1218046881 /nfs/dbraw/zinc/04/68/81/1218046881.db2.gz OLZQOJSTPFZZSQ-UGUYLWEFSA-N 2 1 362.474 0.245 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001096106218 1218046885 /nfs/dbraw/zinc/04/68/85/1218046885.db2.gz OLZQOJSTPFZZSQ-UGUYLWEFSA-N 2 1 362.474 0.245 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001096356659 1218263240 /nfs/dbraw/zinc/26/32/40/1218263240.db2.gz WJEDEGJUPRRRIK-IKGGRYGDSA-N 2 1 360.502 0.816 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC001048611249 1218296610 /nfs/dbraw/zinc/29/66/10/1218296610.db2.gz QJMYYBONLYAIRN-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+][C@@H]3CCNC3=O)CC2)O1 ZINC001048611249 1218296618 /nfs/dbraw/zinc/29/66/18/1218296618.db2.gz QJMYYBONLYAIRN-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827707 1218322549 /nfs/dbraw/zinc/32/25/49/1218322549.db2.gz CKAYTUNRMLFFRY-SFFUCWETSA-N 2 1 362.518 0.726 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827707 1218322556 /nfs/dbraw/zinc/32/25/56/1218322556.db2.gz CKAYTUNRMLFFRY-SFFUCWETSA-N 2 1 362.518 0.726 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048827707 1218322561 /nfs/dbraw/zinc/32/25/61/1218322561.db2.gz CKAYTUNRMLFFRY-SFFUCWETSA-N 2 1 362.518 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)c4nncn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829935 1218324701 /nfs/dbraw/zinc/32/47/01/1218324701.db2.gz FEXYLCNYYMJIAO-UHDSXZAQSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)c4nncn4C)C[C@@H]3C2)CC[N@H+]1C ZINC001048829935 1218324705 /nfs/dbraw/zinc/32/47/05/1218324705.db2.gz FEXYLCNYYMJIAO-UHDSXZAQSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H](C)c4nncn4C)C[C@@H]3C2)CC[NH+]1C ZINC001048829935 1218324710 /nfs/dbraw/zinc/32/47/10/1218324710.db2.gz FEXYLCNYYMJIAO-UHDSXZAQSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)c4nncn4C)C[C@@H]3C2)CC[NH+]1C ZINC001048829935 1218324715 /nfs/dbraw/zinc/32/47/15/1218324715.db2.gz FEXYLCNYYMJIAO-UHDSXZAQSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048830728 1218325529 /nfs/dbraw/zinc/32/55/29/1218325529.db2.gz RMMHPVHTVOBRNG-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048830728 1218325535 /nfs/dbraw/zinc/32/55/35/1218325535.db2.gz RMMHPVHTVOBRNG-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048830728 1218325541 /nfs/dbraw/zinc/32/55/41/1218325541.db2.gz RMMHPVHTVOBRNG-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541322 1218428828 /nfs/dbraw/zinc/42/88/28/1218428828.db2.gz NCJNIGWCZKTFCE-IKGGRYGDSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000903731951 1218510143 /nfs/dbraw/zinc/51/01/43/1218510143.db2.gz BIJDGRSOUQLBPJ-GOSISDBHSA-N 2 1 364.534 0.775 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)NC1CCCCC1 ZINC000903737695 1218511615 /nfs/dbraw/zinc/51/16/15/1218511615.db2.gz VAAMMADGAAHZKX-ICSRJNTNSA-N 2 1 364.534 0.822 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000903741743 1218512459 /nfs/dbraw/zinc/51/24/59/1218512459.db2.gz SIAIXYATZJTMGY-OKZBNKHCSA-N 3 1 364.534 0.725 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903770848 1218521201 /nfs/dbraw/zinc/52/12/01/1218521201.db2.gz ZKXZAFJLYYHKBH-CVYDXHPNSA-N 2 1 361.490 0.803 20 0 FCADMP COc1cc[nH+]c(N2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903891625 1218560459 /nfs/dbraw/zinc/56/04/59/1218560459.db2.gz MPBLIQUPUMFXOM-HNNXBMFYSA-N 2 1 357.462 0.928 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097063149 1218675069 /nfs/dbraw/zinc/67/50/69/1218675069.db2.gz IBPBAYAXVDJVCU-WCXIOVBPSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097063149 1218675074 /nfs/dbraw/zinc/67/50/74/1218675074.db2.gz IBPBAYAXVDJVCU-WCXIOVBPSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001097063149 1218675078 /nfs/dbraw/zinc/67/50/78/1218675078.db2.gz IBPBAYAXVDJVCU-WCXIOVBPSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097063149 1218675084 /nfs/dbraw/zinc/67/50/84/1218675084.db2.gz IBPBAYAXVDJVCU-WCXIOVBPSA-N 2 1 363.506 0.606 20 0 FCADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001097080270 1218683085 /nfs/dbraw/zinc/68/30/85/1218683085.db2.gz XVPLABPOJSVOMU-XDNAFOTISA-N 2 1 360.502 0.671 20 0 FCADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001097080270 1218683087 /nfs/dbraw/zinc/68/30/87/1218683087.db2.gz XVPLABPOJSVOMU-XDNAFOTISA-N 2 1 360.502 0.671 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001097319032 1218773137 /nfs/dbraw/zinc/77/31/37/1218773137.db2.gz ZTURFUFWHGUOJA-WCXIOVBPSA-N 2 1 360.502 0.815 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)C1=O ZINC001097319032 1218773142 /nfs/dbraw/zinc/77/31/42/1218773142.db2.gz ZTURFUFWHGUOJA-WCXIOVBPSA-N 2 1 360.502 0.815 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564681 1218819919 /nfs/dbraw/zinc/81/99/19/1218819919.db2.gz NODMQGQRUTYXDP-OEAMXRNYSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564681 1218819920 /nfs/dbraw/zinc/81/99/20/1218819920.db2.gz NODMQGQRUTYXDP-OEAMXRNYSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564681 1218819921 /nfs/dbraw/zinc/81/99/21/1218819921.db2.gz NODMQGQRUTYXDP-OEAMXRNYSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564681 1218819922 /nfs/dbraw/zinc/81/99/22/1218819922.db2.gz NODMQGQRUTYXDP-OEAMXRNYSA-N 2 1 371.485 0.505 20 0 FCADMP CO[C@H](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055540520 1219073056 /nfs/dbraw/zinc/07/30/56/1219073056.db2.gz PJEITVGLMRPLOB-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CC=CC3)CC2)CC[N@H+]1C ZINC001055583503 1219087669 /nfs/dbraw/zinc/08/76/69/1219087669.db2.gz QLIAKTLMXXPWSI-CRAIPNDOSA-N 2 1 362.518 0.990 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)OC)CC2)CC[N@H+]1C ZINC001055583283 1219088470 /nfs/dbraw/zinc/08/84/70/1219088470.db2.gz HKOPRYTXSHNYGU-HYVNUMGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)CC[N@H+]1C ZINC001055583314 1219088702 /nfs/dbraw/zinc/08/87/02/1219088702.db2.gz INCIHBNJBWVPTB-GDBMZVCRSA-N 2 1 361.490 0.665 20 0 FCADMP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804054309 1219109537 /nfs/dbraw/zinc/10/95/37/1219109537.db2.gz REDDYQDUPHBKEW-LZLYRXPVSA-N 2 1 372.469 0.269 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057412 1219111683 /nfs/dbraw/zinc/11/16/83/1219111683.db2.gz PKMXNGKIKUSYCS-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804057412 1219111686 /nfs/dbraw/zinc/11/16/86/1219111686.db2.gz PKMXNGKIKUSYCS-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804057412 1219111690 /nfs/dbraw/zinc/11/16/90/1219111690.db2.gz PKMXNGKIKUSYCS-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059897 1219113558 /nfs/dbraw/zinc/11/35/58/1219113558.db2.gz ONKOTVHTCMTIMF-QBPKDAKJSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000804060989 1219115232 /nfs/dbraw/zinc/11/52/32/1219115232.db2.gz QWDYKISQIJEUOX-BRWVUGGUSA-N 2 1 364.490 0.053 20 0 FCADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001227345904 1225871108 /nfs/dbraw/zinc/87/11/08/1225871108.db2.gz PGGGSVRSISVWAC-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096199 1219166601 /nfs/dbraw/zinc/16/66/01/1219166601.db2.gz NCDYYELIQOZGLO-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096199 1219166605 /nfs/dbraw/zinc/16/66/05/1219166605.db2.gz NCDYYELIQOZGLO-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096199 1219166609 /nfs/dbraw/zinc/16/66/09/1219166609.db2.gz NCDYYELIQOZGLO-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096199 1219166614 /nfs/dbraw/zinc/16/66/14/1219166614.db2.gz NCDYYELIQOZGLO-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097211 1219168659 /nfs/dbraw/zinc/16/86/59/1219168659.db2.gz HLGHYVQYPAAXHK-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097211 1219168667 /nfs/dbraw/zinc/16/86/67/1219168667.db2.gz HLGHYVQYPAAXHK-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097211 1219168673 /nfs/dbraw/zinc/16/86/73/1219168673.db2.gz HLGHYVQYPAAXHK-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209355 1219294925 /nfs/dbraw/zinc/29/49/25/1219294925.db2.gz ZZGXGOVNOCRKLE-ZACQAIPSSA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070273787 1219341768 /nfs/dbraw/zinc/34/17/68/1219341768.db2.gz GMWLLZVXPFAUDF-NXHRZFHOSA-N 2 1 369.473 0.699 20 0 FCADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327173 1219377472 /nfs/dbraw/zinc/37/74/72/1219377472.db2.gz VYLGDWOYTCONLM-KURKYZTESA-N 2 1 369.473 0.475 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccncc2O[C@H]2CC[NH+](CCO)C2)CC[N@H+]1C ZINC001070386313 1219408522 /nfs/dbraw/zinc/40/85/22/1219408522.db2.gz JSDWWWJEAJLFGI-HYVNUMGLSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccncc2O[C@H]2CC[N@H+](CCO)C2)CC[NH+]1C ZINC001070386313 1219408526 /nfs/dbraw/zinc/40/85/26/1219408526.db2.gz JSDWWWJEAJLFGI-HYVNUMGLSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccncc2O[C@H]2CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001070386313 1219408528 /nfs/dbraw/zinc/40/85/28/1219408528.db2.gz JSDWWWJEAJLFGI-HYVNUMGLSA-N 2 1 362.474 0.483 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070507692 1219444698 /nfs/dbraw/zinc/44/46/98/1219444698.db2.gz KEFOATUACQVLKT-JQHSSLGASA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070507691 1219444823 /nfs/dbraw/zinc/44/48/23/1219444823.db2.gz KEFOATUACQVLKT-CGTJXYLNSA-N 2 1 363.506 0.417 20 0 FCADMP COc1ccnc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277260946 1225893562 /nfs/dbraw/zinc/89/35/62/1225893562.db2.gz QMAHOBHFDBSKMI-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccnc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277260946 1225893565 /nfs/dbraw/zinc/89/35/65/1225893565.db2.gz QMAHOBHFDBSKMI-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526159 1219453841 /nfs/dbraw/zinc/45/38/41/1219453841.db2.gz UMMWSCOZBLNWSO-CGTJXYLNSA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526159 1219453847 /nfs/dbraw/zinc/45/38/47/1219453847.db2.gz UMMWSCOZBLNWSO-CGTJXYLNSA-N 2 1 363.506 0.822 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070563752 1219470895 /nfs/dbraw/zinc/47/08/95/1219470895.db2.gz KGPAWMHZWJAEHM-VDZJLULYSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001070629186 1219493847 /nfs/dbraw/zinc/49/38/47/1219493847.db2.gz CYZLYQOLDILQFS-BRWVUGGUSA-N 2 1 371.489 0.295 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cncn2C)n1 ZINC001070718765 1219540652 /nfs/dbraw/zinc/54/06/52/1219540652.db2.gz IBWPXORWXCLNGW-DJIMGWMZSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cncn2C)n1 ZINC001070718765 1219540656 /nfs/dbraw/zinc/54/06/56/1219540656.db2.gz IBWPXORWXCLNGW-DJIMGWMZSA-N 2 1 371.489 0.190 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001228207423 1225900072 /nfs/dbraw/zinc/90/00/72/1225900072.db2.gz SXMNQVDKYYBODG-BYNSBNAKSA-N 2 1 367.494 0.189 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001070721777 1219542833 /nfs/dbraw/zinc/54/28/33/1219542833.db2.gz ABDCMDQOUNSDMU-LMMKCTJWSA-N 2 1 371.485 0.599 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001228224736 1225901702 /nfs/dbraw/zinc/90/17/02/1225901702.db2.gz NCZFGLLOVCRDFM-ZIAGYGMSSA-N 2 1 364.494 0.994 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001070967039 1219585386 /nfs/dbraw/zinc/58/53/86/1219585386.db2.gz YBPZOZBQIGTMDM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@H](C)OC)CC2)CC[N@H+]1C ZINC001070967039 1219585387 /nfs/dbraw/zinc/58/53/87/1219585387.db2.gz YBPZOZBQIGTMDM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](C[C@H](C)OC)CC2)CC[NH+]1C ZINC001070967039 1219585390 /nfs/dbraw/zinc/58/53/90/1219585390.db2.gz YBPZOZBQIGTMDM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](C[C@H](C)OC)CC2)CC[NH+]1C ZINC001070967039 1219585392 /nfs/dbraw/zinc/58/53/92/1219585392.db2.gz YBPZOZBQIGTMDM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001071073087 1219600064 /nfs/dbraw/zinc/60/00/64/1219600064.db2.gz RFSNGXGTODEGAI-LXZKKBNFSA-N 2 1 363.462 0.051 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001071200253 1219610364 /nfs/dbraw/zinc/61/03/64/1219610364.db2.gz WVMMVRJNEJIJJO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001071200253 1219610365 /nfs/dbraw/zinc/61/03/65/1219610365.db2.gz WVMMVRJNEJIJJO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001228265821 1225905586 /nfs/dbraw/zinc/90/55/86/1225905586.db2.gz ZKEKCBODABZJMB-BRWVUGGUSA-N 2 1 368.522 0.584 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@@H+]1C ZINC001073605864 1219671800 /nfs/dbraw/zinc/67/18/00/1219671800.db2.gz XCWXYHCZWWGHDR-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@H+]1C ZINC001073605864 1219671803 /nfs/dbraw/zinc/67/18/03/1219671803.db2.gz XCWXYHCZWWGHDR-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073605864 1219671807 /nfs/dbraw/zinc/67/18/07/1219671807.db2.gz XCWXYHCZWWGHDR-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073605864 1219671810 /nfs/dbraw/zinc/67/18/10/1219671810.db2.gz XCWXYHCZWWGHDR-YESZJQIVSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nccnc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610891 1219672669 /nfs/dbraw/zinc/67/26/69/1219672669.db2.gz HDSHJZHMOSZKPG-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610891 1219672674 /nfs/dbraw/zinc/67/26/74/1219672674.db2.gz HDSHJZHMOSZKPG-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610891 1219672675 /nfs/dbraw/zinc/67/26/75/1219672675.db2.gz HDSHJZHMOSZKPG-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610891 1219672678 /nfs/dbraw/zinc/67/26/78/1219672678.db2.gz HDSHJZHMOSZKPG-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074603373 1219701544 /nfs/dbraw/zinc/70/15/44/1219701544.db2.gz HCAQYRJYZVFOMO-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074603373 1219701547 /nfs/dbraw/zinc/70/15/47/1219701547.db2.gz HCAQYRJYZVFOMO-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603373 1219701550 /nfs/dbraw/zinc/70/15/50/1219701550.db2.gz HCAQYRJYZVFOMO-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP COc1nccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074711177 1219718019 /nfs/dbraw/zinc/71/80/19/1219718019.db2.gz UZXYHPLTOCYCBS-BFJAYTPKSA-N 2 1 363.462 0.283 20 0 FCADMP COc1nccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074711177 1219718020 /nfs/dbraw/zinc/71/80/20/1219718020.db2.gz UZXYHPLTOCYCBS-BFJAYTPKSA-N 2 1 363.462 0.283 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCCCC1 ZINC001098223683 1219744061 /nfs/dbraw/zinc/74/40/61/1219744061.db2.gz WRESIGSMBQIPGI-ZACQAIPSSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCCCC1 ZINC001098223683 1219744063 /nfs/dbraw/zinc/74/40/63/1219744063.db2.gz WRESIGSMBQIPGI-ZACQAIPSSA-N 2 1 360.502 0.816 20 0 FCADMP CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098674011 1219809663 /nfs/dbraw/zinc/80/96/63/1219809663.db2.gz XFEHODRTFHFRSE-DJIMGWMZSA-N 2 1 364.494 0.518 20 0 FCADMP CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098674011 1219809667 /nfs/dbraw/zinc/80/96/67/1219809667.db2.gz XFEHODRTFHFRSE-DJIMGWMZSA-N 2 1 364.494 0.518 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001098945573 1219871502 /nfs/dbraw/zinc/87/15/02/1219871502.db2.gz CBEAGLRMIWNCKX-LPHOPBHVSA-N 2 1 359.474 0.785 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001098945573 1219871505 /nfs/dbraw/zinc/87/15/05/1219871505.db2.gz CBEAGLRMIWNCKX-LPHOPBHVSA-N 2 1 359.474 0.785 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001098945904 1219871942 /nfs/dbraw/zinc/87/19/42/1219871942.db2.gz PBBUHKSGMGLYPH-FCEWJHQRSA-N 2 1 369.473 0.941 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001098945904 1219871947 /nfs/dbraw/zinc/87/19/47/1219871947.db2.gz PBBUHKSGMGLYPH-FCEWJHQRSA-N 2 1 369.473 0.941 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029689 1219892359 /nfs/dbraw/zinc/89/23/59/1219892359.db2.gz IYXRRYUPJGNRLO-JVPBZIDWSA-N 2 1 368.497 0.916 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029689 1219892364 /nfs/dbraw/zinc/89/23/64/1219892364.db2.gz IYXRRYUPJGNRLO-JVPBZIDWSA-N 2 1 368.497 0.916 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001099029689 1219892366 /nfs/dbraw/zinc/89/23/66/1219892366.db2.gz IYXRRYUPJGNRLO-JVPBZIDWSA-N 2 1 368.497 0.916 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099029689 1219892368 /nfs/dbraw/zinc/89/23/68/1219892368.db2.gz IYXRRYUPJGNRLO-JVPBZIDWSA-N 2 1 368.497 0.916 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030039 1219892574 /nfs/dbraw/zinc/89/25/74/1219892574.db2.gz UNVMAMPCPKOMKR-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030039 1219892575 /nfs/dbraw/zinc/89/25/75/1219892575.db2.gz UNVMAMPCPKOMKR-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030039 1219892577 /nfs/dbraw/zinc/89/25/77/1219892577.db2.gz UNVMAMPCPKOMKR-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001099080118 1219903764 /nfs/dbraw/zinc/90/37/64/1219903764.db2.gz MOJPARXOMKRAIX-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC(=O)NC(N)=O)CC[N@H+]1C ZINC001099080118 1219903767 /nfs/dbraw/zinc/90/37/67/1219903767.db2.gz MOJPARXOMKRAIX-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001099080118 1219903770 /nfs/dbraw/zinc/90/37/70/1219903770.db2.gz MOJPARXOMKRAIX-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=O)NC(N)=O)CC[NH+]1C ZINC001099080118 1219903772 /nfs/dbraw/zinc/90/37/72/1219903772.db2.gz MOJPARXOMKRAIX-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099123199 1219921327 /nfs/dbraw/zinc/92/13/27/1219921327.db2.gz XOLIVHFQWHZXCT-JXFKEZNVSA-N 2 1 360.502 0.675 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099160263 1219936400 /nfs/dbraw/zinc/93/64/00/1219936400.db2.gz NXNBRZSQKXZRJO-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099160263 1219936404 /nfs/dbraw/zinc/93/64/04/1219936404.db2.gz NXNBRZSQKXZRJO-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160263 1219936407 /nfs/dbraw/zinc/93/64/07/1219936407.db2.gz NXNBRZSQKXZRJO-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160263 1219936411 /nfs/dbraw/zinc/93/64/11/1219936411.db2.gz NXNBRZSQKXZRJO-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001099163284 1219937623 /nfs/dbraw/zinc/93/76/23/1219937623.db2.gz QLELVNNDDBLVCB-YJBOKZPZSA-N 2 1 360.462 0.187 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001099163284 1219937627 /nfs/dbraw/zinc/93/76/27/1219937627.db2.gz QLELVNNDDBLVCB-YJBOKZPZSA-N 2 1 360.462 0.187 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)C2 ZINC001228602070 1225935341 /nfs/dbraw/zinc/93/53/41/1225935341.db2.gz BNUZYDICJZOSGN-KBAYOESNSA-N 2 1 364.490 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099535960 1220026462 /nfs/dbraw/zinc/02/64/62/1220026462.db2.gz WFPGKWYMRSTDRX-YOEHRIQHSA-N 2 1 358.450 0.134 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C[C@]4(CCOC4)CC3=O)CC2)CC1 ZINC000758263393 1220210292 /nfs/dbraw/zinc/21/02/92/1220210292.db2.gz IIKHXNMIZBVKOV-FQEVSTJZSA-N 2 1 364.534 0.932 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241091 1220241607 /nfs/dbraw/zinc/24/16/07/1220241607.db2.gz QFZNSUXIAXNWTE-HLIPFELVSA-N 2 1 362.518 0.587 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267871 1220256477 /nfs/dbraw/zinc/25/64/77/1220256477.db2.gz WORYPJYGWGMQNJ-QKLQHJQFSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267871 1220256481 /nfs/dbraw/zinc/25/64/81/1220256481.db2.gz WORYPJYGWGMQNJ-QKLQHJQFSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001101267871 1220256485 /nfs/dbraw/zinc/25/64/85/1220256485.db2.gz WORYPJYGWGMQNJ-QKLQHJQFSA-N 2 1 364.534 0.881 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267591 1220256804 /nfs/dbraw/zinc/25/68/04/1220256804.db2.gz LOXCUSZWFVFNTN-UWVAXJGDSA-N 2 1 362.518 0.633 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279346 1220264146 /nfs/dbraw/zinc/26/41/46/1220264146.db2.gz LUPQCYZTCZYQNL-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279346 1220264150 /nfs/dbraw/zinc/26/41/50/1220264150.db2.gz LUPQCYZTCZYQNL-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101279346 1220264156 /nfs/dbraw/zinc/26/41/56/1220264156.db2.gz LUPQCYZTCZYQNL-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101284823 1220266933 /nfs/dbraw/zinc/26/69/33/1220266933.db2.gz AWNOBBQCYARQOT-BEFAXECRSA-N 2 1 365.522 0.522 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101284823 1220266935 /nfs/dbraw/zinc/26/69/35/1220266935.db2.gz AWNOBBQCYARQOT-BEFAXECRSA-N 2 1 365.522 0.522 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101284823 1220266937 /nfs/dbraw/zinc/26/69/37/1220266937.db2.gz AWNOBBQCYARQOT-BEFAXECRSA-N 2 1 365.522 0.522 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101287519 1220268636 /nfs/dbraw/zinc/26/86/36/1220268636.db2.gz QDYUOGBQFOMINP-GGPKGHCWSA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101287519 1220268641 /nfs/dbraw/zinc/26/86/41/1220268641.db2.gz QDYUOGBQFOMINP-GGPKGHCWSA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101287519 1220268648 /nfs/dbraw/zinc/26/86/48/1220268648.db2.gz QDYUOGBQFOMINP-GGPKGHCWSA-N 2 1 367.534 0.896 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305762 1220278350 /nfs/dbraw/zinc/27/83/50/1220278350.db2.gz QUIPDXXLKXLDBL-RMQWMXHSSA-N 2 1 363.502 0.666 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305762 1220278352 /nfs/dbraw/zinc/27/83/52/1220278352.db2.gz QUIPDXXLKXLDBL-RMQWMXHSSA-N 2 1 363.502 0.666 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305762 1220278354 /nfs/dbraw/zinc/27/83/54/1220278354.db2.gz QUIPDXXLKXLDBL-RMQWMXHSSA-N 2 1 363.502 0.666 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341665 1220295131 /nfs/dbraw/zinc/29/51/31/1220295131.db2.gz OYVCYXQNERFMKX-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364323 1220302858 /nfs/dbraw/zinc/30/28/58/1220302858.db2.gz RHSJHGBQVAKWAG-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364323 1220302862 /nfs/dbraw/zinc/30/28/62/1220302862.db2.gz RHSJHGBQVAKWAG-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101364323 1220302864 /nfs/dbraw/zinc/30/28/64/1220302864.db2.gz RHSJHGBQVAKWAG-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101432350 1220340840 /nfs/dbraw/zinc/34/08/40/1220340840.db2.gz NQSHNTGCEXGFAQ-MJGOQNOKSA-N 2 1 361.490 0.644 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441099 1220347021 /nfs/dbraw/zinc/34/70/21/1220347021.db2.gz MBMVEQOXIRSPNF-CLCXKQKWSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441099 1220347025 /nfs/dbraw/zinc/34/70/25/1220347025.db2.gz MBMVEQOXIRSPNF-CLCXKQKWSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441099 1220347029 /nfs/dbraw/zinc/34/70/29/1220347029.db2.gz MBMVEQOXIRSPNF-CLCXKQKWSA-N 2 1 364.490 0.304 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460379 1220358607 /nfs/dbraw/zinc/35/86/07/1220358607.db2.gz BRYOCYPVJCICSX-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460379 1220358612 /nfs/dbraw/zinc/35/86/12/1220358612.db2.gz BRYOCYPVJCICSX-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001101460379 1220358615 /nfs/dbraw/zinc/35/86/15/1220358615.db2.gz BRYOCYPVJCICSX-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CNC(=O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001101550616 1220378139 /nfs/dbraw/zinc/37/81/39/1220378139.db2.gz RGNFNZCYDOULJV-GDBMZVCRSA-N 2 1 368.522 0.306 20 0 FCADMP CNC(=O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001101550616 1220378143 /nfs/dbraw/zinc/37/81/43/1220378143.db2.gz RGNFNZCYDOULJV-GDBMZVCRSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051953 1220479113 /nfs/dbraw/zinc/47/91/13/1220479113.db2.gz VJENKHRDLOEAKV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051953 1220479116 /nfs/dbraw/zinc/47/91/16/1220479116.db2.gz VJENKHRDLOEAKV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051953 1220479118 /nfs/dbraw/zinc/47/91/18/1220479118.db2.gz VJENKHRDLOEAKV-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051639 1220479382 /nfs/dbraw/zinc/47/93/82/1220479382.db2.gz BUBCJNCQKOIEPK-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051639 1220479384 /nfs/dbraw/zinc/47/93/84/1220479384.db2.gz BUBCJNCQKOIEPK-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051639 1220479385 /nfs/dbraw/zinc/47/93/85/1220479385.db2.gz BUBCJNCQKOIEPK-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079167 1220489388 /nfs/dbraw/zinc/48/93/88/1220489388.db2.gz YMOYBQLLEXPCGB-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079167 1220489390 /nfs/dbraw/zinc/48/93/90/1220489390.db2.gz YMOYBQLLEXPCGB-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079167 1220489393 /nfs/dbraw/zinc/48/93/93/1220489393.db2.gz YMOYBQLLEXPCGB-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102079167 1220489395 /nfs/dbraw/zinc/48/93/95/1220489395.db2.gz YMOYBQLLEXPCGB-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085782 1220490965 /nfs/dbraw/zinc/49/09/65/1220490965.db2.gz AUUCXHAKJVQRQT-BZUAXINKSA-N 2 1 368.522 0.293 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102157205 1220527631 /nfs/dbraw/zinc/52/76/31/1220527631.db2.gz BWUMHNMEFQFGAE-NXHRZFHOSA-N 2 1 366.506 0.909 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102157205 1220527643 /nfs/dbraw/zinc/52/76/43/1220527643.db2.gz BWUMHNMEFQFGAE-NXHRZFHOSA-N 2 1 366.506 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185674 1220541012 /nfs/dbraw/zinc/54/10/12/1220541012.db2.gz NXYNPTNYTBNMEV-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189917 1220544234 /nfs/dbraw/zinc/54/42/34/1220544234.db2.gz IFDRGGBGTVKYAG-NXHRZFHOSA-N 2 1 360.506 0.837 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276252 1220568823 /nfs/dbraw/zinc/56/88/23/1220568823.db2.gz LEFPUEZSUMIROK-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276252 1220568828 /nfs/dbraw/zinc/56/88/28/1220568828.db2.gz LEFPUEZSUMIROK-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276252 1220568835 /nfs/dbraw/zinc/56/88/35/1220568835.db2.gz LEFPUEZSUMIROK-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319067 1220581925 /nfs/dbraw/zinc/58/19/25/1220581925.db2.gz XJRWMMABIKVMSA-RHSMWYFYSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320532 1220582897 /nfs/dbraw/zinc/58/28/97/1220582897.db2.gz HAMPTPXADMRYPT-HZPDHXFCSA-N 2 1 364.490 0.874 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102367003 1220597375 /nfs/dbraw/zinc/59/73/75/1220597375.db2.gz YAAAZYIJBYCMHE-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102367003 1220597381 /nfs/dbraw/zinc/59/73/81/1220597381.db2.gz YAAAZYIJBYCMHE-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102367003 1220597386 /nfs/dbraw/zinc/59/73/86/1220597386.db2.gz YAAAZYIJBYCMHE-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375310 1220599077 /nfs/dbraw/zinc/59/90/77/1220599077.db2.gz BURSWFITENUTDZ-KFWWJZLASA-N 2 1 366.506 0.454 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375310 1220599079 /nfs/dbraw/zinc/59/90/79/1220599079.db2.gz BURSWFITENUTDZ-KFWWJZLASA-N 2 1 366.506 0.454 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375310 1220599082 /nfs/dbraw/zinc/59/90/82/1220599082.db2.gz BURSWFITENUTDZ-KFWWJZLASA-N 2 1 366.506 0.454 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375702 1220600585 /nfs/dbraw/zinc/60/05/85/1220600585.db2.gz XQURZTVQKMKNBL-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375702 1220600590 /nfs/dbraw/zinc/60/05/90/1220600590.db2.gz XQURZTVQKMKNBL-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375702 1220600600 /nfs/dbraw/zinc/60/06/00/1220600600.db2.gz XQURZTVQKMKNBL-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375702 1220600613 /nfs/dbraw/zinc/60/06/13/1220600613.db2.gz XQURZTVQKMKNBL-RBSFLKMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102465913 1220637505 /nfs/dbraw/zinc/63/75/05/1220637505.db2.gz BODLHOLSCOKATK-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102465913 1220637508 /nfs/dbraw/zinc/63/75/08/1220637508.db2.gz BODLHOLSCOKATK-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469077 1220640047 /nfs/dbraw/zinc/64/00/47/1220640047.db2.gz OJACRDMSVPQZBP-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469077 1220640048 /nfs/dbraw/zinc/64/00/48/1220640048.db2.gz OJACRDMSVPQZBP-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511086 1220669888 /nfs/dbraw/zinc/66/98/88/1220669888.db2.gz IODCVUISLMPEKC-IXDOHACOSA-N 2 1 370.538 0.409 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513343 1220672653 /nfs/dbraw/zinc/67/26/53/1220672653.db2.gz GSSZPHHFUFZIFF-OAGGEKHMSA-N 2 1 364.494 0.028 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514089 1220673344 /nfs/dbraw/zinc/67/33/44/1220673344.db2.gz MGSOLHQBKLUQKK-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514089 1220673350 /nfs/dbraw/zinc/67/33/50/1220673350.db2.gz MGSOLHQBKLUQKK-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514089 1220673353 /nfs/dbraw/zinc/67/33/53/1220673353.db2.gz MGSOLHQBKLUQKK-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514392 1220673689 /nfs/dbraw/zinc/67/36/89/1220673689.db2.gz WASFCVKADITCJG-FHLIZLRMSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001102514392 1220673692 /nfs/dbraw/zinc/67/36/92/1220673692.db2.gz WASFCVKADITCJG-FHLIZLRMSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001102514392 1220673695 /nfs/dbraw/zinc/67/36/95/1220673695.db2.gz WASFCVKADITCJG-FHLIZLRMSA-N 2 1 362.522 0.921 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515417 1220674782 /nfs/dbraw/zinc/67/47/82/1220674782.db2.gz RTCLJZITXLSHHK-HUUCEWRRSA-N 2 1 361.490 0.972 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC001102579492 1220702066 /nfs/dbraw/zinc/70/20/66/1220702066.db2.gz AGXDHXGNZKRIHN-HUUCEWRRSA-N 2 1 365.478 0.538 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC001102579492 1220702068 /nfs/dbraw/zinc/70/20/68/1220702068.db2.gz AGXDHXGNZKRIHN-HUUCEWRRSA-N 2 1 365.478 0.538 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580366 1220702691 /nfs/dbraw/zinc/70/26/91/1220702691.db2.gz SPWLOZFTDAEJKG-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818871 1220790936 /nfs/dbraw/zinc/79/09/36/1220790936.db2.gz KPKJORSTLMRGNH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818871 1220790941 /nfs/dbraw/zinc/79/09/41/1220790941.db2.gz KPKJORSTLMRGNH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818871 1220790949 /nfs/dbraw/zinc/79/09/49/1220790949.db2.gz KPKJORSTLMRGNH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818871 1220790958 /nfs/dbraw/zinc/79/09/58/1220790958.db2.gz KPKJORSTLMRGNH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819176 1220791185 /nfs/dbraw/zinc/79/11/85/1220791185.db2.gz OXLPCFCTLBWONJ-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819176 1220791187 /nfs/dbraw/zinc/79/11/87/1220791187.db2.gz OXLPCFCTLBWONJ-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819176 1220791190 /nfs/dbraw/zinc/79/11/90/1220791190.db2.gz OXLPCFCTLBWONJ-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819176 1220791192 /nfs/dbraw/zinc/79/11/92/1220791192.db2.gz OXLPCFCTLBWONJ-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819575 1220792959 /nfs/dbraw/zinc/79/29/59/1220792959.db2.gz VQWTUUQDQLDLHO-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819575 1220792968 /nfs/dbraw/zinc/79/29/68/1220792968.db2.gz VQWTUUQDQLDLHO-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819575 1220792971 /nfs/dbraw/zinc/79/29/71/1220792971.db2.gz VQWTUUQDQLDLHO-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819575 1220792974 /nfs/dbraw/zinc/79/29/74/1220792974.db2.gz VQWTUUQDQLDLHO-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993891 1220817464 /nfs/dbraw/zinc/81/74/64/1220817464.db2.gz HZPXTNGAEPNSGV-NXHRZFHOSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993889 1220817792 /nfs/dbraw/zinc/81/77/92/1220817792.db2.gz HZPXTNGAEPNSGV-KBAYOESNSA-N 2 1 362.518 0.635 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103084005 1220831000 /nfs/dbraw/zinc/83/10/00/1220831000.db2.gz TURHTNCKIUTBDI-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103157879 1220841979 /nfs/dbraw/zinc/84/19/79/1220841979.db2.gz HDOPJGQOKAUXTM-HZPDHXFCSA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103157879 1220841980 /nfs/dbraw/zinc/84/19/80/1220841980.db2.gz HDOPJGQOKAUXTM-HZPDHXFCSA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103157879 1220841983 /nfs/dbraw/zinc/84/19/83/1220841983.db2.gz HDOPJGQOKAUXTM-HZPDHXFCSA-N 2 1 367.538 0.816 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162757 1220842135 /nfs/dbraw/zinc/84/21/35/1220842135.db2.gz JAJYLPRYJPHMAH-HZPDHXFCSA-N 2 1 361.490 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397022 1220876899 /nfs/dbraw/zinc/87/68/99/1220876899.db2.gz VEAUUUKVJXAUKK-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397000 1220877019 /nfs/dbraw/zinc/87/70/19/1220877019.db2.gz TXDYAMHQODSQKF-BMFZPTHFSA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396641 1220877380 /nfs/dbraw/zinc/87/73/80/1220877380.db2.gz BSKVURHXYJRMJH-IJEWVQPXSA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396641 1220877381 /nfs/dbraw/zinc/87/73/81/1220877381.db2.gz BSKVURHXYJRMJH-IJEWVQPXSA-N 2 1 363.510 0.687 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103435930 1220882743 /nfs/dbraw/zinc/88/27/43/1220882743.db2.gz DRYRZQMQDYUZPZ-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103435930 1220882744 /nfs/dbraw/zinc/88/27/44/1220882744.db2.gz DRYRZQMQDYUZPZ-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436127 1220882858 /nfs/dbraw/zinc/88/28/58/1220882858.db2.gz LLHBAGCNDWVTGZ-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436127 1220882861 /nfs/dbraw/zinc/88/28/61/1220882861.db2.gz LLHBAGCNDWVTGZ-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436127 1220882862 /nfs/dbraw/zinc/88/28/62/1220882862.db2.gz LLHBAGCNDWVTGZ-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444833 1220884727 /nfs/dbraw/zinc/88/47/27/1220884727.db2.gz LGAZUYICFOVOBY-ZACQAIPSSA-N 2 1 370.538 0.554 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536736 1220897577 /nfs/dbraw/zinc/89/75/77/1220897577.db2.gz AFHVDPTWZXAUEK-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536736 1220897578 /nfs/dbraw/zinc/89/75/78/1220897578.db2.gz AFHVDPTWZXAUEK-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103641802 1220925177 /nfs/dbraw/zinc/92/51/77/1220925177.db2.gz DYVAUFFFTVMISQ-SOLBZPMBSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103641802 1220925180 /nfs/dbraw/zinc/92/51/80/1220925180.db2.gz DYVAUFFFTVMISQ-SOLBZPMBSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103641802 1220925187 /nfs/dbraw/zinc/92/51/87/1220925187.db2.gz DYVAUFFFTVMISQ-SOLBZPMBSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642997 1220925439 /nfs/dbraw/zinc/92/54/39/1220925439.db2.gz CWGGAWKLHHWAGS-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001103647097 1220927492 /nfs/dbraw/zinc/92/74/92/1220927492.db2.gz UNKDYHNMDFVAFX-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654836 1220931212 /nfs/dbraw/zinc/93/12/12/1220931212.db2.gz DVSKLHIEBIBLOQ-IAGOWNOFSA-N 2 1 367.538 0.818 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103663599 1220933665 /nfs/dbraw/zinc/93/36/65/1220933665.db2.gz JJJKIPUDJOLAOA-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103663599 1220933668 /nfs/dbraw/zinc/93/36/68/1220933668.db2.gz JJJKIPUDJOLAOA-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103663599 1220933670 /nfs/dbraw/zinc/93/36/70/1220933670.db2.gz JJJKIPUDJOLAOA-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719263 1220952541 /nfs/dbraw/zinc/95/25/41/1220952541.db2.gz WYZASQUFAZAGNA-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719263 1220952545 /nfs/dbraw/zinc/95/25/45/1220952545.db2.gz WYZASQUFAZAGNA-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719263 1220952550 /nfs/dbraw/zinc/95/25/50/1220952550.db2.gz WYZASQUFAZAGNA-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719263 1220952553 /nfs/dbraw/zinc/95/25/53/1220952553.db2.gz WYZASQUFAZAGNA-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103724636 1220954917 /nfs/dbraw/zinc/95/49/17/1220954917.db2.gz NBBCOZJXLVHLLM-YUELXQCFSA-N 2 1 361.446 0.071 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103724636 1220954924 /nfs/dbraw/zinc/95/49/24/1220954924.db2.gz NBBCOZJXLVHLLM-YUELXQCFSA-N 2 1 361.446 0.071 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103724464 1220954953 /nfs/dbraw/zinc/95/49/53/1220954953.db2.gz DNFHEMYIQCLFKO-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103724464 1220954957 /nfs/dbraw/zinc/95/49/57/1220954957.db2.gz DNFHEMYIQCLFKO-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001103999643 1220996240 /nfs/dbraw/zinc/99/62/40/1220996240.db2.gz FXLRWNZTENFBCE-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001103999643 1220996248 /nfs/dbraw/zinc/99/62/48/1220996248.db2.gz FXLRWNZTENFBCE-KFWWJZLASA-N 2 1 365.478 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001103999971 1220997028 /nfs/dbraw/zinc/99/70/28/1220997028.db2.gz QGMRSNRHWKDLFU-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)Cc1ccccc1 ZINC001111499381 1221024122 /nfs/dbraw/zinc/02/41/22/1221024122.db2.gz DCDTWOFQSADJBZ-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229496965 1226015292 /nfs/dbraw/zinc/01/52/92/1226015292.db2.gz ZOHFHFCNUTWNDG-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001229504224 1226015306 /nfs/dbraw/zinc/01/53/06/1226015306.db2.gz RGGWHNHAYJMZII-HUUCEWRRSA-N 2 1 367.494 0.333 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779138 1221105213 /nfs/dbraw/zinc/10/52/13/1221105213.db2.gz WLULCUCJXDNPLP-OHNRDTAOSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779138 1221105217 /nfs/dbraw/zinc/10/52/17/1221105217.db2.gz WLULCUCJXDNPLP-OHNRDTAOSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779138 1221105218 /nfs/dbraw/zinc/10/52/18/1221105218.db2.gz WLULCUCJXDNPLP-OHNRDTAOSA-N 2 1 362.474 0.247 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111782735 1221106133 /nfs/dbraw/zinc/10/61/33/1221106133.db2.gz WFGYVTIEWRIWDZ-IYOUNJFTSA-N 2 1 365.478 0.026 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111782735 1221106135 /nfs/dbraw/zinc/10/61/35/1221106135.db2.gz WFGYVTIEWRIWDZ-IYOUNJFTSA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111782735 1221106137 /nfs/dbraw/zinc/10/61/37/1221106137.db2.gz WFGYVTIEWRIWDZ-IYOUNJFTSA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111782735 1221106139 /nfs/dbraw/zinc/10/61/39/1221106139.db2.gz WFGYVTIEWRIWDZ-IYOUNJFTSA-N 2 1 365.478 0.026 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001229523295 1226016123 /nfs/dbraw/zinc/01/61/23/1226016123.db2.gz FOUXUHLDZIVNSF-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861201 1221140375 /nfs/dbraw/zinc/14/03/75/1221140375.db2.gz BBPUEMGUBKYYSU-GLJUWKHASA-N 2 1 367.494 0.143 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC001111861262 1221140447 /nfs/dbraw/zinc/14/04/47/1221140447.db2.gz DMALIPGRZYHHMF-BXWFABGCSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC001111861262 1221140452 /nfs/dbraw/zinc/14/04/52/1221140452.db2.gz DMALIPGRZYHHMF-BXWFABGCSA-N 2 1 366.506 0.204 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875068 1221146287 /nfs/dbraw/zinc/14/62/87/1221146287.db2.gz PQPGFKLLUNETMI-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875068 1221146291 /nfs/dbraw/zinc/14/62/91/1221146291.db2.gz PQPGFKLLUNETMI-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001111886402 1221151789 /nfs/dbraw/zinc/15/17/89/1221151789.db2.gz DRXMBMHICKKORJ-BXWFABGCSA-N 2 1 364.490 0.985 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001111886402 1221151794 /nfs/dbraw/zinc/15/17/94/1221151794.db2.gz DRXMBMHICKKORJ-BXWFABGCSA-N 2 1 364.490 0.985 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938263 1221178579 /nfs/dbraw/zinc/17/85/79/1221178579.db2.gz SXQJSMLNBIABTL-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938263 1221178583 /nfs/dbraw/zinc/17/85/83/1221178583.db2.gz SXQJSMLNBIABTL-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001111938170 1221178873 /nfs/dbraw/zinc/17/88/73/1221178873.db2.gz OJXADDRVTIEXME-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111951144 1221182101 /nfs/dbraw/zinc/18/21/01/1221182101.db2.gz VDQQITNZHCKIDN-GLJUWKHASA-N 2 1 367.494 0.272 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983104 1221193073 /nfs/dbraw/zinc/19/30/73/1221193073.db2.gz BGZRCLUWNMNJMC-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983104 1221193074 /nfs/dbraw/zinc/19/30/74/1221193074.db2.gz BGZRCLUWNMNJMC-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983104 1221193075 /nfs/dbraw/zinc/19/30/75/1221193075.db2.gz BGZRCLUWNMNJMC-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983104 1221193076 /nfs/dbraw/zinc/19/30/76/1221193076.db2.gz BGZRCLUWNMNJMC-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1 ZINC001112285335 1221230383 /nfs/dbraw/zinc/23/03/83/1221230383.db2.gz TWTXSEAWUNHGSI-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001116953022 1221407782 /nfs/dbraw/zinc/40/77/82/1221407782.db2.gz KSPYUXZMGVVNEB-DLBZAZTESA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001116953022 1221407787 /nfs/dbraw/zinc/40/77/87/1221407787.db2.gz KSPYUXZMGVVNEB-DLBZAZTESA-N 2 1 372.513 0.960 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001229877388 1226037680 /nfs/dbraw/zinc/03/76/80/1226037680.db2.gz RVTDIGAHHBWTNZ-BRWVUGGUSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC001117481937 1221555171 /nfs/dbraw/zinc/55/51/71/1221555171.db2.gz LGZQFVOVMHNLLP-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC001117481937 1221555176 /nfs/dbraw/zinc/55/51/76/1221555176.db2.gz LGZQFVOVMHNLLP-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC001117481937 1221555178 /nfs/dbraw/zinc/55/51/78/1221555178.db2.gz LGZQFVOVMHNLLP-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001117858445 1221633431 /nfs/dbraw/zinc/63/34/31/1221633431.db2.gz MGFBCGVZTALPFI-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001117858445 1221633437 /nfs/dbraw/zinc/63/34/37/1221633437.db2.gz MGFBCGVZTALPFI-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)NC(C)C ZINC001230147248 1226057682 /nfs/dbraw/zinc/05/76/82/1226057682.db2.gz AQDGNJNCQQSXKK-HZPDHXFCSA-N 2 1 364.494 0.916 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC001117981473 1221676338 /nfs/dbraw/zinc/67/63/38/1221676338.db2.gz WKERDAWIMHEUDR-UHFFFAOYSA-N 2 1 358.486 0.898 20 0 FCADMP C[C@H](CN1CCOCC1)[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC001118223542 1221736831 /nfs/dbraw/zinc/73/68/31/1221736831.db2.gz WSNNNWGRPOLFQP-GOSISDBHSA-N 2 1 360.502 0.641 20 0 FCADMP C[C@H](CN1CCOCC1)[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC001118223542 1221736836 /nfs/dbraw/zinc/73/68/36/1221736836.db2.gz WSNNNWGRPOLFQP-GOSISDBHSA-N 2 1 360.502 0.641 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)c3cn(CC[NH3+])nn3)CC2)oc1C ZINC001118569530 1221802172 /nfs/dbraw/zinc/80/21/72/1221802172.db2.gz YCANIZJAXALFAW-UHFFFAOYSA-N 2 1 361.450 0.484 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001119418578 1221915223 /nfs/dbraw/zinc/91/52/23/1221915223.db2.gz QVVVFFVGKIHSDY-KBAYOESNSA-N 2 1 358.486 0.867 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119423646 1221916102 /nfs/dbraw/zinc/91/61/02/1221916102.db2.gz BBTOILXRIYWXLV-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001119651618 1221945050 /nfs/dbraw/zinc/94/50/50/1221945050.db2.gz GEPOQMUGDMIQNN-SFHVURJKSA-N 2 1 370.505 0.917 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001119651618 1221945053 /nfs/dbraw/zinc/94/50/53/1221945053.db2.gz GEPOQMUGDMIQNN-SFHVURJKSA-N 2 1 370.505 0.917 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC001119724958 1221957618 /nfs/dbraw/zinc/95/76/18/1221957618.db2.gz DNEHFADIPMFBEZ-RDJZCZTQSA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC001119724958 1221957628 /nfs/dbraw/zinc/95/76/28/1221957628.db2.gz DNEHFADIPMFBEZ-RDJZCZTQSA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC001119724958 1221957634 /nfs/dbraw/zinc/95/76/34/1221957634.db2.gz DNEHFADIPMFBEZ-RDJZCZTQSA-N 2 1 363.510 0.847 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CCN1C ZINC001119809967 1221976622 /nfs/dbraw/zinc/97/66/22/1221976622.db2.gz IDRBLYMGTURSIX-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001119809967 1221976626 /nfs/dbraw/zinc/97/66/26/1221976626.db2.gz IDRBLYMGTURSIX-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001119809967 1221976629 /nfs/dbraw/zinc/97/66/29/1221976629.db2.gz IDRBLYMGTURSIX-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001119809967 1221976632 /nfs/dbraw/zinc/97/66/32/1221976632.db2.gz IDRBLYMGTURSIX-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001119809967 1221976634 /nfs/dbraw/zinc/97/66/34/1221976634.db2.gz IDRBLYMGTURSIX-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001120625019 1222109998 /nfs/dbraw/zinc/10/99/98/1222109998.db2.gz DDOUUOSKYGOMMX-GOSISDBHSA-N 2 1 366.506 0.795 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001121012558 1222139026 /nfs/dbraw/zinc/13/90/26/1222139026.db2.gz FLLFFTADPIZEST-OAHLLOKOSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001121012558 1222139029 /nfs/dbraw/zinc/13/90/29/1222139029.db2.gz FLLFFTADPIZEST-OAHLLOKOSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069785 1222238288 /nfs/dbraw/zinc/23/82/88/1222238288.db2.gz GALDXTLWWGNOPR-BRWVUGGUSA-N 2 1 363.506 0.606 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)cc2)C[C@H](C)O1 ZINC001122107738 1222241697 /nfs/dbraw/zinc/24/16/97/1222241697.db2.gz BMSJGLTWDRYDSE-MDOVXXIYSA-N 2 1 372.469 0.905 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)cc2)C[C@H](C)O1 ZINC001122107738 1222241702 /nfs/dbraw/zinc/24/17/02/1222241702.db2.gz BMSJGLTWDRYDSE-MDOVXXIYSA-N 2 1 372.469 0.905 20 0 FCADMP [NH3+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C12CCC2 ZINC001122340269 1222265880 /nfs/dbraw/zinc/26/58/80/1222265880.db2.gz DCAXJSAXMFRWDL-ARFHVFGLSA-N 2 1 364.490 0.086 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122385385 1222270675 /nfs/dbraw/zinc/27/06/75/1222270675.db2.gz CEVNYMKTMVWBCC-LJQANCHMSA-N 2 1 359.470 0.867 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122385385 1222270681 /nfs/dbraw/zinc/27/06/81/1222270681.db2.gz CEVNYMKTMVWBCC-LJQANCHMSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCCC[NH2+]1 ZINC001122392559 1222271007 /nfs/dbraw/zinc/27/10/07/1222271007.db2.gz VQADATHYVJUCKW-DLBZAZTESA-N 2 1 366.506 0.348 20 0 FCADMP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122521719 1222280189 /nfs/dbraw/zinc/28/01/89/1222280189.db2.gz QLCRYRDLGRRASR-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP C[N@@H+](CCNC(=O)NCCN1CCC2(C1)OCCO2)Cc1ccccc1 ZINC001123614204 1222344397 /nfs/dbraw/zinc/34/43/97/1222344397.db2.gz IKOIYRXTBQKUHX-UHFFFAOYSA-N 2 1 362.474 0.866 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]21 ZINC001231700793 1226117535 /nfs/dbraw/zinc/11/75/35/1226117535.db2.gz MFRMBIYBCLQRHB-KBMXLJTQSA-N 2 1 373.461 0.853 20 0 FCADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]21 ZINC001231700793 1226117537 /nfs/dbraw/zinc/11/75/37/1226117537.db2.gz MFRMBIYBCLQRHB-KBMXLJTQSA-N 2 1 373.461 0.853 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]21 ZINC001231700793 1226117540 /nfs/dbraw/zinc/11/75/40/1226117540.db2.gz MFRMBIYBCLQRHB-KBMXLJTQSA-N 2 1 373.461 0.853 20 0 FCADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]21 ZINC001231700793 1226117541 /nfs/dbraw/zinc/11/75/41/1226117541.db2.gz MFRMBIYBCLQRHB-KBMXLJTQSA-N 2 1 373.461 0.853 20 0 FCADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)CC[C@@H]21 ZINC001231700793 1226117544 /nfs/dbraw/zinc/11/75/44/1226117544.db2.gz MFRMBIYBCLQRHB-KBMXLJTQSA-N 2 1 373.461 0.853 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769895 1222355602 /nfs/dbraw/zinc/35/56/02/1222355602.db2.gz PJXLGUBWDFSCMR-RSPOEFSDSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769895 1222355608 /nfs/dbraw/zinc/35/56/08/1222355608.db2.gz PJXLGUBWDFSCMR-RSPOEFSDSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769895 1222355612 /nfs/dbraw/zinc/35/56/12/1222355612.db2.gz PJXLGUBWDFSCMR-RSPOEFSDSA-N 2 1 372.513 0.374 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001123886520 1222362597 /nfs/dbraw/zinc/36/25/97/1222362597.db2.gz QPPGUNKYXKSEQI-QZTJIDSGSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598639 1222581813 /nfs/dbraw/zinc/58/18/13/1222581813.db2.gz FMJRLKNRKDWEBS-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598639 1222581819 /nfs/dbraw/zinc/58/18/19/1222581819.db2.gz FMJRLKNRKDWEBS-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598639 1222581823 /nfs/dbraw/zinc/58/18/23/1222581823.db2.gz FMJRLKNRKDWEBS-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000834598639 1222581830 /nfs/dbraw/zinc/58/18/30/1222581830.db2.gz FMJRLKNRKDWEBS-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C ZINC000834834840 1222592121 /nfs/dbraw/zinc/59/21/21/1222592121.db2.gz MXUFMXCHMJEEPB-OWCLPIDISA-N 2 1 366.506 0.321 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C ZINC000834834840 1222592128 /nfs/dbraw/zinc/59/21/28/1222592128.db2.gz MXUFMXCHMJEEPB-OWCLPIDISA-N 2 1 366.506 0.321 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C ZINC000834834840 1222592132 /nfs/dbraw/zinc/59/21/32/1222592132.db2.gz MXUFMXCHMJEEPB-OWCLPIDISA-N 2 1 366.506 0.321 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000834834840 1222592137 /nfs/dbraw/zinc/59/21/37/1222592137.db2.gz MXUFMXCHMJEEPB-OWCLPIDISA-N 2 1 366.506 0.321 20 0 FCADMP Cc1nc(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)c[nH]1 ZINC001232461573 1226153201 /nfs/dbraw/zinc/15/32/01/1226153201.db2.gz MLZUCYBREFVXJS-JLJPHGGASA-N 2 1 356.430 0.775 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841187464 1222812711 /nfs/dbraw/zinc/81/27/11/1222812711.db2.gz WKFCEMBMWHFFOO-QGZVFWFLSA-N 2 1 359.474 0.717 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000841234314 1222815434 /nfs/dbraw/zinc/81/54/34/1222815434.db2.gz HRMDFCKDBQHWNK-FQEVSTJZSA-N 2 1 373.501 0.964 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164386 1222838705 /nfs/dbraw/zinc/83/87/05/1222838705.db2.gz JMFSSCCKOVRZPX-IRXDYDNUSA-N 2 1 366.506 0.394 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000842190924 1222839643 /nfs/dbraw/zinc/83/96/43/1222839643.db2.gz VAQJEUXWPINWKV-XLIONFOSSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(CC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)N1CC[NH2+]CC1 ZINC000843359228 1222872804 /nfs/dbraw/zinc/87/28/04/1222872804.db2.gz NTIZZXHGYTVSOQ-UHFFFAOYSA-N 2 1 358.442 0.823 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(CN4C(=O)CCC4=O)cn3)C2)C1 ZINC001155377618 1223033685 /nfs/dbraw/zinc/03/36/85/1223033685.db2.gz UAAWOAONBMZWDC-INIZCTEOSA-N 2 1 357.458 0.590 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157380085 1223075523 /nfs/dbraw/zinc/07/55/23/1223075523.db2.gz UUEWUJMAPSRCGI-HOTGVXAUSA-N 2 1 367.538 0.295 20 0 FCADMP CN1CCN(C(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CC1=O ZINC001157486164 1223077304 /nfs/dbraw/zinc/07/73/04/1223077304.db2.gz RZCBQEMVCXQPMX-WIYYLYMNSA-N 2 1 370.497 0.789 20 0 FCADMP CCC[NH+]1C[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2C1 ZINC001157691054 1223080380 /nfs/dbraw/zinc/08/03/80/1223080380.db2.gz GTYLZIXBZNBQHL-HUUCEWRRSA-N 2 1 358.490 0.694 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCNCC(F)(F)C1 ZINC001157946110 1223084544 /nfs/dbraw/zinc/08/45/44/1223084544.db2.gz MPEAXQIBSPURCQ-INIZCTEOSA-N 2 1 364.440 0.775 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCNCC(F)(F)C1 ZINC001157946110 1223084548 /nfs/dbraw/zinc/08/45/48/1223084548.db2.gz MPEAXQIBSPURCQ-INIZCTEOSA-N 2 1 364.440 0.775 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276658 1223093628 /nfs/dbraw/zinc/09/36/28/1223093628.db2.gz CFOGDJDHJSVZLH-MRXNPFEDSA-N 2 1 356.430 0.408 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380347 1223096250 /nfs/dbraw/zinc/09/62/50/1223096250.db2.gz QMVXRRJLGQCITA-RBSFLKMASA-N 2 1 369.510 0.293 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001158428532 1223097385 /nfs/dbraw/zinc/09/73/85/1223097385.db2.gz IBBHQSONQAWFIV-RHSMWYFYSA-N 2 1 364.465 0.878 20 0 FCADMP COCCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001158604927 1223103240 /nfs/dbraw/zinc/10/32/40/1223103240.db2.gz TYGRAJYJNISTSX-IBGZPJMESA-N 2 1 372.513 0.499 20 0 FCADMP COCCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001158604927 1223103246 /nfs/dbraw/zinc/10/32/46/1223103246.db2.gz TYGRAJYJNISTSX-IBGZPJMESA-N 2 1 372.513 0.499 20 0 FCADMP [NH3+]Cc1ccc2c(n1)N(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCC2 ZINC001158652579 1223104435 /nfs/dbraw/zinc/10/44/35/1223104435.db2.gz QUGGDFJMJSVXTF-UHFFFAOYSA-N 2 1 367.457 0.854 20 0 FCADMP CN(C[C@@H](O)CO)C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001158800639 1223110050 /nfs/dbraw/zinc/11/00/50/1223110050.db2.gz XIDLZYHEQQVTRV-QWFCFKBJSA-N 2 1 361.486 0.300 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159133960 1223118598 /nfs/dbraw/zinc/11/85/98/1223118598.db2.gz LEZPJXFAOJHZRH-GBESFXJTSA-N 2 1 373.501 0.891 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)COC1(C)C ZINC001159291630 1223123769 /nfs/dbraw/zinc/12/37/69/1223123769.db2.gz ROOBXAGKLHFINT-ZFWWWQNUSA-N 2 1 364.490 0.241 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001159411410 1223126279 /nfs/dbraw/zinc/12/62/79/1223126279.db2.gz BKAWVWGAFYFRFD-MSOLQXFVSA-N 2 1 358.486 0.865 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]2C1 ZINC001159636473 1223131771 /nfs/dbraw/zinc/13/17/71/1223131771.db2.gz TULFBMXZEMUZJM-VAMGGRTRSA-N 2 1 373.497 0.897 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666210 1223133187 /nfs/dbraw/zinc/13/31/87/1223133187.db2.gz OYUNYUHLQVYGHQ-SQNIBIBYSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666210 1223133189 /nfs/dbraw/zinc/13/31/89/1223133189.db2.gz OYUNYUHLQVYGHQ-SQNIBIBYSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666210 1223133193 /nfs/dbraw/zinc/13/31/93/1223133193.db2.gz OYUNYUHLQVYGHQ-SQNIBIBYSA-N 2 1 370.457 0.176 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853193 1223138092 /nfs/dbraw/zinc/13/80/92/1223138092.db2.gz ALFBTYUELNABKH-SZMVWBNQSA-N 3 1 374.460 0.299 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856316 1223138347 /nfs/dbraw/zinc/13/83/47/1223138347.db2.gz SWJRGHKOAJHQEU-NJAFHUGGSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856316 1223138351 /nfs/dbraw/zinc/13/83/51/1223138351.db2.gz SWJRGHKOAJHQEU-NJAFHUGGSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856316 1223138354 /nfs/dbraw/zinc/13/83/54/1223138354.db2.gz SWJRGHKOAJHQEU-NJAFHUGGSA-N 2 1 373.432 0.783 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160053663 1223143309 /nfs/dbraw/zinc/14/33/09/1223143309.db2.gz UQEIYCHOMYOTNQ-KRWDZBQOSA-N 2 1 360.458 0.787 20 0 FCADMP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160053877 1223143589 /nfs/dbraw/zinc/14/35/89/1223143589.db2.gz WNFWVCLKQLWBPF-GHTZIAJQSA-N 2 1 369.513 0.848 20 0 FCADMP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489576 1223162168 /nfs/dbraw/zinc/16/21/68/1223162168.db2.gz DPENYTYKFAELMB-WOJBJXKFSA-N 2 1 371.529 0.842 20 0 FCADMP CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787568 1223172762 /nfs/dbraw/zinc/17/27/62/1223172762.db2.gz LHDRYBZQSSQOFP-UKRRQHHQSA-N 2 1 361.446 0.273 20 0 FCADMP CCOC(=O)[C@]12CN(C(=O)[C@H]([NH3+])c3ccccc3OC)C[C@H]1C[NH2+]CC2 ZINC001160811937 1223174986 /nfs/dbraw/zinc/17/49/86/1223174986.db2.gz AWMXRKYOUJQRJD-VVFCZOMOSA-N 2 1 361.442 0.696 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1)C1CC[NH2+]CC1 ZINC001160839023 1223176770 /nfs/dbraw/zinc/17/67/70/1223176770.db2.gz MQIVGWMGHPFQRC-QGZVFWFLSA-N 3 1 373.505 0.052 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)CCc2ccccc2)O1 ZINC001160851258 1223177589 /nfs/dbraw/zinc/17/75/89/1223177589.db2.gz UWHJXWUUHOIPTB-BHIYHBOVSA-N 2 1 363.502 0.795 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)CCc2ccccc2)O1 ZINC001160851258 1223177594 /nfs/dbraw/zinc/17/75/94/1223177594.db2.gz UWHJXWUUHOIPTB-BHIYHBOVSA-N 2 1 363.502 0.795 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2ccc(F)cc2)O1 ZINC001160861940 1223178187 /nfs/dbraw/zinc/17/81/87/1223178187.db2.gz BSORAEBQDQHYFL-CZUORRHYSA-N 2 1 366.437 0.579 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2ccc(F)cc2)O1 ZINC001160861940 1223178191 /nfs/dbraw/zinc/17/81/91/1223178191.db2.gz BSORAEBQDQHYFL-CZUORRHYSA-N 2 1 366.437 0.579 20 0 FCADMP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906086 1223180523 /nfs/dbraw/zinc/18/05/23/1223180523.db2.gz BLXPRDCFROVOBN-MOPGFXCFSA-N 3 1 360.502 0.845 20 0 FCADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160955991 1223181749 /nfs/dbraw/zinc/18/17/49/1223181749.db2.gz FJRVVFOTOGBYRS-WDSOQIARSA-N 2 1 372.513 0.686 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958611 1223181933 /nfs/dbraw/zinc/18/19/33/1223181933.db2.gz BJNPBNXIXXPTBO-REBRKWNGSA-N 2 1 358.446 0.211 20 0 FCADMP N[C@@H](CSCC[NH3+])C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161091991 1223185540 /nfs/dbraw/zinc/18/55/40/1223185540.db2.gz VYQFRMDAQTUDIF-HNNXBMFYSA-N 2 1 374.514 0.734 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161586009 1223204903 /nfs/dbraw/zinc/20/49/03/1223204903.db2.gz APGPXFZGRZWFSH-LJQANCHMSA-N 2 1 371.529 0.400 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)OC)CC1 ZINC001162320701 1223213965 /nfs/dbraw/zinc/21/39/65/1223213965.db2.gz MMYXUZOCPBRKTE-GVDBMIGSSA-N 2 1 371.522 0.585 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)OC)CC1 ZINC001162320701 1223213968 /nfs/dbraw/zinc/21/39/68/1223213968.db2.gz MMYXUZOCPBRKTE-GVDBMIGSSA-N 2 1 371.522 0.585 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001163240216 1223228210 /nfs/dbraw/zinc/22/82/10/1223228210.db2.gz UKXIAUUWEMTERR-BEFAXECRSA-N 2 1 367.457 0.372 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC001164578770 1223240028 /nfs/dbraw/zinc/24/00/28/1223240028.db2.gz QOLDNSHMQBMSDV-ZIAGYGMSSA-N 2 1 364.494 0.852 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC001164578770 1223240031 /nfs/dbraw/zinc/24/00/31/1223240031.db2.gz QOLDNSHMQBMSDV-ZIAGYGMSSA-N 2 1 364.494 0.852 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001164583394 1223240211 /nfs/dbraw/zinc/24/02/11/1223240211.db2.gz YIZYVOXTIYNDJB-RRFJBIMHSA-N 2 1 364.490 0.398 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164578591 1223240305 /nfs/dbraw/zinc/24/03/05/1223240305.db2.gz IRCWIGBOTBLJBN-HZPDHXFCSA-N 2 1 368.522 0.355 20 0 FCADMP CCOC(=O)c1nc2n(n1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001165399276 1223245586 /nfs/dbraw/zinc/24/55/86/1223245586.db2.gz MZXAIPUPALDQNY-UHFFFAOYSA-N 2 1 372.433 0.193 20 0 FCADMP [NH3+]C1([C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]2CF)CC1 ZINC001165432379 1223246081 /nfs/dbraw/zinc/24/60/81/1223246081.db2.gz JGMGLAJCSJJGHG-GXTWGEPZSA-N 2 1 362.453 0.430 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001165728838 1223255749 /nfs/dbraw/zinc/25/57/49/1223255749.db2.gz VPKFKXSQFDLCLR-GDBMZVCRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001165728838 1223255752 /nfs/dbraw/zinc/25/57/52/1223255752.db2.gz VPKFKXSQFDLCLR-GDBMZVCRSA-N 2 1 366.506 0.108 20 0 FCADMP Cn1ccnc1C(=O)NCc1cnc2n1CCN(Cc1ccc[nH]1)CC2 ZINC001204004523 1223298024 /nfs/dbraw/zinc/29/80/24/1223298024.db2.gz BSOLTRGJHLCVNA-UHFFFAOYSA-N 2 1 353.430 0.933 20 0 FCADMP C[NH+](C)CCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205167361 1223314124 /nfs/dbraw/zinc/31/41/24/1223314124.db2.gz MNRGVZRMBGZRDZ-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001205339418 1223320614 /nfs/dbraw/zinc/32/06/14/1223320614.db2.gz FWODRKXXLWFWOX-VHDGCEQUSA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205458811 1223324553 /nfs/dbraw/zinc/32/45/53/1223324553.db2.gz VLDPMERYFXYTAA-XOKHGSTOSA-N 2 1 364.465 0.924 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001205584031 1223332221 /nfs/dbraw/zinc/33/22/21/1223332221.db2.gz CJMQCEICFHCENL-CGTJXYLNSA-N 2 1 365.449 0.687 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001205584031 1223332224 /nfs/dbraw/zinc/33/22/24/1223332224.db2.gz CJMQCEICFHCENL-CGTJXYLNSA-N 2 1 365.449 0.687 20 0 FCADMP Cc1cc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n(C)n1 ZINC001205905402 1223341358 /nfs/dbraw/zinc/34/13/58/1223341358.db2.gz SUVTYEUJVZASFD-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP Cc1cc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n(C)n1 ZINC001205905402 1223341360 /nfs/dbraw/zinc/34/13/60/1223341360.db2.gz SUVTYEUJVZASFD-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP C[NH+]1CCC(C[N@H+]2Cc3ccnn3C[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207396874 1223442945 /nfs/dbraw/zinc/44/29/45/1223442945.db2.gz XMWJOAXGODUZTF-QGZVFWFLSA-N 2 1 361.490 0.516 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2Cc3ccnn3C[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207396874 1223442952 /nfs/dbraw/zinc/44/29/52/1223442952.db2.gz XMWJOAXGODUZTF-QGZVFWFLSA-N 2 1 361.490 0.516 20 0 FCADMP Cn1nnc2c1CC[N@H+](CC1CC[NH2+]CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001207435330 1223446647 /nfs/dbraw/zinc/44/66/47/1223446647.db2.gz LEBBITBPRICVJW-GOSISDBHSA-N 3 1 362.522 0.826 20 0 FCADMP Cn1nnc2c1CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001207435330 1223446651 /nfs/dbraw/zinc/44/66/51/1223446651.db2.gz LEBBITBPRICVJW-GOSISDBHSA-N 3 1 362.522 0.826 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001207482089 1223449701 /nfs/dbraw/zinc/44/97/01/1223449701.db2.gz IOBJUECPNSAUBB-KBAYOESNSA-N 2 1 359.474 0.638 20 0 FCADMP CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207537614 1223452647 /nfs/dbraw/zinc/45/26/47/1223452647.db2.gz FEBFLAGIIDFQAK-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757372 1223476055 /nfs/dbraw/zinc/47/60/55/1223476055.db2.gz AJXMAPNSZUGQHM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757372 1223476058 /nfs/dbraw/zinc/47/60/58/1223476058.db2.gz AJXMAPNSZUGQHM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757372 1223476061 /nfs/dbraw/zinc/47/60/61/1223476061.db2.gz AJXMAPNSZUGQHM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757372 1223476062 /nfs/dbraw/zinc/47/60/62/1223476062.db2.gz AJXMAPNSZUGQHM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766704 1223478193 /nfs/dbraw/zinc/47/81/93/1223478193.db2.gz DZGGTFXRDDMHPV-OIISXLGYSA-N 2 1 359.474 0.623 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784213 1223479012 /nfs/dbraw/zinc/47/90/12/1223479012.db2.gz GGZXKWCSMQZASS-DJIMGWMZSA-N 2 1 359.474 0.575 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207988652 1223503378 /nfs/dbraw/zinc/50/33/78/1223503378.db2.gz TZSQVYGRUUJIBU-CXAGYDPISA-N 2 1 355.442 0.911 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036535 1223507694 /nfs/dbraw/zinc/50/76/94/1223507694.db2.gz ORXZBIBWJAMFHA-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036535 1223507696 /nfs/dbraw/zinc/50/76/96/1223507696.db2.gz ORXZBIBWJAMFHA-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036535 1223507698 /nfs/dbraw/zinc/50/76/98/1223507698.db2.gz ORXZBIBWJAMFHA-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001208092138 1223515861 /nfs/dbraw/zinc/51/58/61/1223515861.db2.gz JSVSVCGLNCMREV-VQIMIIECSA-N 2 1 363.502 0.850 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208164528 1223520673 /nfs/dbraw/zinc/52/06/73/1223520673.db2.gz RRXFLBAJRHYSPT-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281295 1223529590 /nfs/dbraw/zinc/52/95/90/1223529590.db2.gz BEFNOXKZYSCIRA-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001208362297 1223534762 /nfs/dbraw/zinc/53/47/62/1223534762.db2.gz NAOYPDAXASTXGT-BZUAXINKSA-N 2 1 359.474 0.962 20 0 FCADMP Cc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001208496275 1223551516 /nfs/dbraw/zinc/55/15/16/1223551516.db2.gz OKTZYGWXPXBHIH-RHSMWYFYSA-N 2 1 364.490 0.935 20 0 FCADMP Cc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001208496275 1223551520 /nfs/dbraw/zinc/55/15/20/1223551520.db2.gz OKTZYGWXPXBHIH-RHSMWYFYSA-N 2 1 364.490 0.935 20 0 FCADMP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612182 1223563538 /nfs/dbraw/zinc/56/35/38/1223563538.db2.gz GJHHAKTZHWLIOK-MOPGFXCFSA-N 2 1 360.550 0.904 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611964 1223564236 /nfs/dbraw/zinc/56/42/36/1223564236.db2.gz YVVHSLNAPFUSEV-ZWKOTPCHSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611964 1223564240 /nfs/dbraw/zinc/56/42/40/1223564240.db2.gz YVVHSLNAPFUSEV-ZWKOTPCHSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611964 1223564248 /nfs/dbraw/zinc/56/42/48/1223564248.db2.gz YVVHSLNAPFUSEV-ZWKOTPCHSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738585 1223573470 /nfs/dbraw/zinc/57/34/70/1223573470.db2.gz GIDXADVUOWAQDG-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738585 1223573475 /nfs/dbraw/zinc/57/34/75/1223573475.db2.gz GIDXADVUOWAQDG-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2)C1 ZINC001276609988 1223594331 /nfs/dbraw/zinc/59/43/31/1223594331.db2.gz OHZYCDRLJQFBGS-VQIMIIECSA-N 2 1 369.506 0.641 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2)C1 ZINC001276609988 1223594333 /nfs/dbraw/zinc/59/43/33/1223594333.db2.gz OHZYCDRLJQFBGS-VQIMIIECSA-N 2 1 369.506 0.641 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149698 1223600682 /nfs/dbraw/zinc/60/06/82/1223600682.db2.gz CNURWIATDOKLBY-NVXWUHKLSA-N 2 1 367.538 0.862 20 0 FCADMP COCCOCN1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276630213 1223609456 /nfs/dbraw/zinc/60/94/56/1223609456.db2.gz MKPBRWWARAPFQS-LJQANCHMSA-N 2 1 368.522 0.311 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327831 1223611080 /nfs/dbraw/zinc/61/10/80/1223611080.db2.gz QXNJKULAXJAPIO-NVXWUHKLSA-N 2 1 367.494 0.158 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)CC1 ZINC001276637180 1223614584 /nfs/dbraw/zinc/61/45/84/1223614584.db2.gz XKINOAKJYLOKDI-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001209642700 1223636194 /nfs/dbraw/zinc/63/61/94/1223636194.db2.gz NNCGHBUBWMZOLT-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001209642701 1223636480 /nfs/dbraw/zinc/63/64/80/1223636480.db2.gz NNCGHBUBWMZOLT-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835896 1223652596 /nfs/dbraw/zinc/65/25/96/1223652596.db2.gz FBJCIMJVNDLRJG-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835896 1223652600 /nfs/dbraw/zinc/65/26/00/1223652600.db2.gz FBJCIMJVNDLRJG-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041576 1223663263 /nfs/dbraw/zinc/66/32/63/1223663263.db2.gz VYWRXGSMPGGWGF-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041576 1223663268 /nfs/dbraw/zinc/66/32/68/1223663268.db2.gz VYWRXGSMPGGWGF-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041576 1223663271 /nfs/dbraw/zinc/66/32/71/1223663271.db2.gz VYWRXGSMPGGWGF-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210041576 1223663276 /nfs/dbraw/zinc/66/32/76/1223663276.db2.gz VYWRXGSMPGGWGF-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210040382 1223663578 /nfs/dbraw/zinc/66/35/78/1223663578.db2.gz GCPFYFKZHMFIMS-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210040382 1223663579 /nfs/dbraw/zinc/66/35/79/1223663579.db2.gz GCPFYFKZHMFIMS-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210040382 1223663580 /nfs/dbraw/zinc/66/35/80/1223663580.db2.gz GCPFYFKZHMFIMS-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001210040382 1223663581 /nfs/dbraw/zinc/66/35/81/1223663581.db2.gz GCPFYFKZHMFIMS-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297193 1223681301 /nfs/dbraw/zinc/68/13/01/1223681301.db2.gz DICXLAWLQUJUEF-IAGOWNOFSA-N 2 1 366.510 0.463 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315661 1223682432 /nfs/dbraw/zinc/68/24/32/1223682432.db2.gz UZXLERRFGGRXDL-RHSMWYFYSA-N 2 1 362.474 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444350 1223742584 /nfs/dbraw/zinc/74/25/84/1223742584.db2.gz WIAWGUQWPWHZAP-IAGOWNOFSA-N 2 1 365.522 0.714 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213344270 1223788957 /nfs/dbraw/zinc/78/89/57/1223788957.db2.gz JZRGEPFEDFRSOL-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC)[NH+](CC)CC ZINC001213434439 1223798439 /nfs/dbraw/zinc/79/84/39/1223798439.db2.gz BUJQOISSJPWJAA-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC)[NH+](CC)CC ZINC001213434439 1223798441 /nfs/dbraw/zinc/79/84/41/1223798441.db2.gz BUJQOISSJPWJAA-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1=O ZINC001276702250 1223804496 /nfs/dbraw/zinc/80/44/96/1223804496.db2.gz ZFXJXIBKVYZHBS-GOSISDBHSA-N 2 1 362.430 0.676 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730043 1223840093 /nfs/dbraw/zinc/84/00/93/1223840093.db2.gz BWRZLEXDDOKAKV-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730840 1223840842 /nfs/dbraw/zinc/84/08/42/1223840842.db2.gz ZHNIMSUFNODXGX-KZNAEPCWSA-N 2 1 365.474 0.114 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213754252 1223844356 /nfs/dbraw/zinc/84/43/56/1223844356.db2.gz VUPNRSGQWFYMTF-QZTJIDSGSA-N 2 1 365.522 0.993 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863046 1223863727 /nfs/dbraw/zinc/86/37/27/1223863727.db2.gz ASHWKBWGYSXEOZ-KBAYOESNSA-N 2 1 369.506 0.197 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863032 1223863916 /nfs/dbraw/zinc/86/39/16/1223863916.db2.gz ADFGCYNIMCSTOU-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213872079 1223866032 /nfs/dbraw/zinc/86/60/32/1223866032.db2.gz SOOHSNKSCZQDOJ-IAGOWNOFSA-N 2 1 364.494 0.360 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213872079 1223866033 /nfs/dbraw/zinc/86/60/33/1223866033.db2.gz SOOHSNKSCZQDOJ-IAGOWNOFSA-N 2 1 364.494 0.360 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929576 1223874226 /nfs/dbraw/zinc/87/42/26/1223874226.db2.gz CCRREGHCVCMWLJ-IAGOWNOFSA-N 2 1 366.510 0.604 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929576 1223874228 /nfs/dbraw/zinc/87/42/28/1223874228.db2.gz CCRREGHCVCMWLJ-IAGOWNOFSA-N 2 1 366.510 0.604 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929576 1223874230 /nfs/dbraw/zinc/87/42/30/1223874230.db2.gz CCRREGHCVCMWLJ-IAGOWNOFSA-N 2 1 366.510 0.604 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCC(=O)OC(C)(C)C)C2 ZINC001276709115 1223893926 /nfs/dbraw/zinc/89/39/26/1223893926.db2.gz QPATZABZPVDOJS-IBGZPJMESA-N 2 1 369.506 0.831 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335612 1223901930 /nfs/dbraw/zinc/90/19/30/1223901930.db2.gz DGCSNVJOTZVYKD-KCPJHIHWSA-N 2 1 362.478 0.496 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001214336247 1223902188 /nfs/dbraw/zinc/90/21/88/1223902188.db2.gz ZMMKXOCRTQRPIQ-DJIMGWMZSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000978163024 1248711338 /nfs/dbraw/zinc/71/13/38/1248711338.db2.gz AKBVTJDVUZLAMY-FGTAOJJYSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC000978163024 1248711342 /nfs/dbraw/zinc/71/13/42/1248711342.db2.gz AKBVTJDVUZLAMY-FGTAOJJYSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC000978163024 1248711350 /nfs/dbraw/zinc/71/13/50/1248711350.db2.gz AKBVTJDVUZLAMY-FGTAOJJYSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001214388657 1223906558 /nfs/dbraw/zinc/90/65/58/1223906558.db2.gz GIUVOQPGGWJKBR-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001214388657 1223906560 /nfs/dbraw/zinc/90/65/60/1223906560.db2.gz GIUVOQPGGWJKBR-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610671 1223926006 /nfs/dbraw/zinc/92/60/06/1223926006.db2.gz BZGVEGKCFVFVNB-NXHRZFHOSA-N 2 1 368.522 0.448 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C)n1C ZINC001214757635 1223939176 /nfs/dbraw/zinc/93/91/76/1223939176.db2.gz RYLIBUYYEQXXTE-QLFBSQMISA-N 2 1 368.501 0.994 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCOC1CCC1 ZINC001214853290 1223948112 /nfs/dbraw/zinc/94/81/12/1223948112.db2.gz XHZDESXFNJZVFU-NXHRZFHOSA-N 2 1 363.506 0.819 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856004 1223948371 /nfs/dbraw/zinc/94/83/71/1223948371.db2.gz UHVFOIFXDXZWHN-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)no1 ZINC001214968816 1223960249 /nfs/dbraw/zinc/96/02/49/1223960249.db2.gz DMJFZORTODLEAC-YUELXQCFSA-N 2 1 363.462 0.842 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392805 1223995758 /nfs/dbraw/zinc/99/57/58/1223995758.db2.gz CCWHHCYRMFUVDQ-BRWVUGGUSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392805 1223995760 /nfs/dbraw/zinc/99/57/60/1223995760.db2.gz CCWHHCYRMFUVDQ-BRWVUGGUSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001215393166 1223995852 /nfs/dbraw/zinc/99/58/52/1223995852.db2.gz QLPQRWLFEWGKHW-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001215393166 1223995856 /nfs/dbraw/zinc/99/58/56/1223995856.db2.gz QLPQRWLFEWGKHW-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@H+]1C ZINC000978180209 1248717612 /nfs/dbraw/zinc/71/76/12/1248717612.db2.gz MFDZLWCUIMWEJI-FGTAOJJYSA-N 2 1 358.486 0.520 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC000978180209 1248717621 /nfs/dbraw/zinc/71/76/21/1248717621.db2.gz MFDZLWCUIMWEJI-FGTAOJJYSA-N 2 1 358.486 0.520 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC000978180209 1248717629 /nfs/dbraw/zinc/71/76/29/1248717629.db2.gz MFDZLWCUIMWEJI-FGTAOJJYSA-N 2 1 358.486 0.520 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938782 1224025707 /nfs/dbraw/zinc/02/57/07/1224025707.db2.gz MUORXDUQWAZSIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081721 1224033743 /nfs/dbraw/zinc/03/37/43/1224033743.db2.gz OBAFDGUBYQINJO-KBRIMQKVSA-N 2 1 359.430 0.325 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216213573 1224038935 /nfs/dbraw/zinc/03/89/35/1224038935.db2.gz OGWLSBZZLMBQNQ-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216382802 1224047503 /nfs/dbraw/zinc/04/75/03/1224047503.db2.gz CWCDCMGZWBCTDG-OWCLPIDISA-N 2 1 367.538 0.862 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001216490824 1224053233 /nfs/dbraw/zinc/05/32/33/1224053233.db2.gz QIQGDCFMWQFGJO-HUUCEWRRSA-N 2 1 364.494 0.477 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001216490824 1224053236 /nfs/dbraw/zinc/05/32/36/1224053236.db2.gz QIQGDCFMWQFGJO-HUUCEWRRSA-N 2 1 364.494 0.477 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCc3nc(C)no3)C2)C1 ZINC001216801782 1224073601 /nfs/dbraw/zinc/07/36/01/1224073601.db2.gz UXAUUUMQNOHSIR-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCc3nc(C)no3)C2)C1 ZINC001216801782 1224073603 /nfs/dbraw/zinc/07/36/03/1224073603.db2.gz UXAUUUMQNOHSIR-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)c1nnnn1C ZINC001216979803 1224082680 /nfs/dbraw/zinc/08/26/80/1224082680.db2.gz AMAWGCOVGGYBRH-OWCLPIDISA-N 2 1 363.510 0.974 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988085440 1249330518 /nfs/dbraw/zinc/33/05/18/1249330518.db2.gz JKEWHXBTALBXBB-VYDXJSESSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993832941 1250000126 /nfs/dbraw/zinc/00/01/26/1250000126.db2.gz FWDDPTAOFXSWEM-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986062 1245316267 /nfs/dbraw/zinc/31/62/67/1245316267.db2.gz FCWNYXAIPXNXPK-BBWFWOEESA-N 2 1 374.441 0.317 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986062 1245316269 /nfs/dbraw/zinc/31/62/69/1245316269.db2.gz FCWNYXAIPXNXPK-BBWFWOEESA-N 2 1 374.441 0.317 20 0 FCADMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000823755404 1245320830 /nfs/dbraw/zinc/32/08/30/1245320830.db2.gz NUQLDABKAUZCAF-PMACEKPBSA-N 2 1 372.517 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000823788698 1245321832 /nfs/dbraw/zinc/32/18/32/1245321832.db2.gz SQLBCCQTDUMLKP-IAGOWNOFSA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000823788698 1245321835 /nfs/dbraw/zinc/32/18/35/1245321835.db2.gz SQLBCCQTDUMLKP-IAGOWNOFSA-N 2 1 363.506 0.515 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN4C(=O)OC[C@@H]4C3)CC2)CC1 ZINC000847584269 1245346154 /nfs/dbraw/zinc/34/61/54/1245346154.db2.gz QJVAAMFLSVLYKC-KRWDZBQOSA-N 2 1 364.490 0.846 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000848931894 1245388291 /nfs/dbraw/zinc/38/82/91/1245388291.db2.gz IHHRIHQPPWYCAX-WCXIOVBPSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848931894 1245388297 /nfs/dbraw/zinc/38/82/97/1245388297.db2.gz IHHRIHQPPWYCAX-WCXIOVBPSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848931894 1245388304 /nfs/dbraw/zinc/38/83/04/1245388304.db2.gz IHHRIHQPPWYCAX-WCXIOVBPSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH2+]CCC12CCC2 ZINC000891567139 1245455459 /nfs/dbraw/zinc/45/54/59/1245455459.db2.gz VWDHZNKGCMKZPQ-QGZVFWFLSA-N 2 1 365.522 0.321 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575909 1245455664 /nfs/dbraw/zinc/45/56/64/1245455664.db2.gz IUOUNTOQUDHOJT-QXSJWSMHSA-N 2 1 363.462 0.047 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000891601466 1245456869 /nfs/dbraw/zinc/45/68/69/1245456869.db2.gz GABROYUMPHYTQA-IAGOWNOFSA-N 2 1 367.538 0.328 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000911518074 1245504021 /nfs/dbraw/zinc/50/40/21/1245504021.db2.gz OIYBPCDNUFZABD-IAOVAPTHSA-N 2 1 374.485 0.031 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@H+]1CC(C)(C)O ZINC000911518074 1245504028 /nfs/dbraw/zinc/50/40/28/1245504028.db2.gz OIYBPCDNUFZABD-IAOVAPTHSA-N 2 1 374.485 0.031 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911518249 1245505825 /nfs/dbraw/zinc/50/58/25/1245505825.db2.gz REFSQDVIGVSVLM-IAOVAPTHSA-N 2 1 374.485 0.031 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911518249 1245505830 /nfs/dbraw/zinc/50/58/30/1245505830.db2.gz REFSQDVIGVSVLM-IAOVAPTHSA-N 2 1 374.485 0.031 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NC1CC[NH+](CCO)CC1)C2 ZINC000917838632 1245562380 /nfs/dbraw/zinc/56/23/80/1245562380.db2.gz WSWJLJFYGNFOKL-VXNCWWDNSA-N 2 1 368.522 0.222 20 0 FCADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280663 1245703383 /nfs/dbraw/zinc/70/33/83/1245703383.db2.gz CEDTVCWKJCSNCP-QZTJIDSGSA-N 2 1 361.486 0.879 20 0 FCADMP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923264671 1245703484 /nfs/dbraw/zinc/70/34/84/1245703484.db2.gz UWYBSUOFYAXPGO-JGAFCMAOSA-N 2 1 366.481 0.715 20 0 FCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923264671 1245703487 /nfs/dbraw/zinc/70/34/87/1245703487.db2.gz UWYBSUOFYAXPGO-JGAFCMAOSA-N 2 1 366.481 0.715 20 0 FCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923264671 1245703490 /nfs/dbraw/zinc/70/34/90/1245703490.db2.gz UWYBSUOFYAXPGO-JGAFCMAOSA-N 2 1 366.481 0.715 20 0 FCADMP COC(=O)c1cncc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000923329361 1245709241 /nfs/dbraw/zinc/70/92/41/1245709241.db2.gz SSRZCEDJUQSHPF-WMLDXEAASA-N 2 1 360.458 0.948 20 0 FCADMP COC(=O)c1cncc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000923329361 1245709247 /nfs/dbraw/zinc/70/92/47/1245709247.db2.gz SSRZCEDJUQSHPF-WMLDXEAASA-N 2 1 360.458 0.948 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923379423 1245712803 /nfs/dbraw/zinc/71/28/03/1245712803.db2.gz JVKYNGJXUYBZGR-IPMKNSEASA-N 2 1 358.486 0.810 20 0 FCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000923485762 1245725160 /nfs/dbraw/zinc/72/51/60/1245725160.db2.gz LFZFFZQAWMCIML-QGZVFWFLSA-N 2 1 374.485 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000938041165 1245815014 /nfs/dbraw/zinc/81/50/14/1245815014.db2.gz TZPOVNVYUVUDNB-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000938401872 1245858389 /nfs/dbraw/zinc/85/83/89/1245858389.db2.gz IHBFYACNAGLBPY-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000938401872 1245858394 /nfs/dbraw/zinc/85/83/94/1245858394.db2.gz IHBFYACNAGLBPY-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941374772 1246583394 /nfs/dbraw/zinc/58/33/94/1246583394.db2.gz ITFZLABWNVPNEP-BRWVUGGUSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941376602 1246585378 /nfs/dbraw/zinc/58/53/78/1246585378.db2.gz CBEYCTJAYRUPGG-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548271 1247122795 /nfs/dbraw/zinc/12/27/95/1247122795.db2.gz RBCJNCQNXWBDQF-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000945837014 1247763234 /nfs/dbraw/zinc/76/32/34/1247763234.db2.gz MNFIUOFYTXLXAU-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000945837014 1247763238 /nfs/dbraw/zinc/76/32/38/1247763238.db2.gz MNFIUOFYTXLXAU-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945837014 1247763241 /nfs/dbraw/zinc/76/32/41/1247763241.db2.gz MNFIUOFYTXLXAU-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945837014 1247763245 /nfs/dbraw/zinc/76/32/45/1247763245.db2.gz MNFIUOFYTXLXAU-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000946775790 1248009537 /nfs/dbraw/zinc/00/95/37/1248009537.db2.gz QHQGLLIRPPLASY-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@H+]1C ZINC000946907672 1248069685 /nfs/dbraw/zinc/06/96/85/1248069685.db2.gz MSDMJIYJTNNRDO-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC[NH+]1C ZINC000946907672 1248069690 /nfs/dbraw/zinc/06/96/90/1248069690.db2.gz MSDMJIYJTNNRDO-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC[NH+]1C ZINC000946907672 1248069696 /nfs/dbraw/zinc/06/96/96/1248069696.db2.gz MSDMJIYJTNNRDO-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC000972739087 1248127145 /nfs/dbraw/zinc/12/71/45/1248127145.db2.gz NWXGCFMECZHJJW-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC000974905537 1248185025 /nfs/dbraw/zinc/18/50/25/1248185025.db2.gz FMSAEPBWVGGIPQ-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001327932139 1265457043 /nfs/dbraw/zinc/45/70/43/1265457043.db2.gz IDFNQEUDZFGPQI-HNNXBMFYSA-N 2 1 372.477 0.725 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976661251 1248329780 /nfs/dbraw/zinc/32/97/80/1248329780.db2.gz VKWBRXVVHIJHKK-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976661251 1248329784 /nfs/dbraw/zinc/32/97/84/1248329784.db2.gz VKWBRXVVHIJHKK-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976661251 1248329788 /nfs/dbraw/zinc/32/97/88/1248329788.db2.gz VKWBRXVVHIJHKK-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1 ZINC000994335049 1250383406 /nfs/dbraw/zinc/38/34/06/1250383406.db2.gz FPLGWPPQBFNQNJ-GVDBMIGSSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001516584489 1265558207 /nfs/dbraw/zinc/55/82/07/1265558207.db2.gz VXNZUONXEVDMMX-OAHLLOKOSA-N 2 1 361.446 0.336 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC000996385416 1251334825 /nfs/dbraw/zinc/33/48/25/1251334825.db2.gz JUELLXZZBIUIPB-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@H+]1C ZINC000996607378 1251403422 /nfs/dbraw/zinc/40/34/22/1251403422.db2.gz NUWCLVZKLMZFAV-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996710387 1251420639 /nfs/dbraw/zinc/42/06/39/1251420639.db2.gz CUARGBWPBGFBAZ-GDBMZVCRSA-N 2 1 364.494 0.659 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996710387 1251420647 /nfs/dbraw/zinc/42/06/47/1251420647.db2.gz CUARGBWPBGFBAZ-GDBMZVCRSA-N 2 1 364.494 0.659 20 0 FCADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000996711905 1251421456 /nfs/dbraw/zinc/42/14/56/1251421456.db2.gz MZQBEWJZJKXTLZ-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000996711905 1251421460 /nfs/dbraw/zinc/42/14/60/1251421460.db2.gz MZQBEWJZJKXTLZ-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1)C(N)=O ZINC000997036202 1251477259 /nfs/dbraw/zinc/47/72/59/1251477259.db2.gz WPAYNNSZKGEADS-OLMNPRSZSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997172612 1251505335 /nfs/dbraw/zinc/50/53/35/1251505335.db2.gz YZKVIVVGJHMCMQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997172612 1251505344 /nfs/dbraw/zinc/50/53/44/1251505344.db2.gz YZKVIVVGJHMCMQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC000997861643 1251727337 /nfs/dbraw/zinc/72/73/37/1251727337.db2.gz ZBXKFUJFAVORTM-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCCN(C)C3=O)CC2)O1 ZINC000997861643 1251727348 /nfs/dbraw/zinc/72/73/48/1251727348.db2.gz ZBXKFUJFAVORTM-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001328732714 1265604336 /nfs/dbraw/zinc/60/43/36/1265604336.db2.gz MBDUBTNJYZELLN-AEFFLSMTSA-N 2 1 360.502 0.987 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@H+]1C ZINC000998471561 1251891647 /nfs/dbraw/zinc/89/16/47/1251891647.db2.gz FBUYRTXPGDMRCB-LTIDMASMSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC000998471561 1251891653 /nfs/dbraw/zinc/89/16/53/1251891653.db2.gz FBUYRTXPGDMRCB-LTIDMASMSA-N 2 1 359.474 0.924 20 0 FCADMP COCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998796424 1251969232 /nfs/dbraw/zinc/96/92/32/1251969232.db2.gz NQUNZHUUKIFUMR-XSCHDIRWSA-N 2 1 365.478 0.678 20 0 FCADMP COCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998796424 1251969238 /nfs/dbraw/zinc/96/92/38/1251969238.db2.gz NQUNZHUUKIFUMR-XSCHDIRWSA-N 2 1 365.478 0.678 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC000998982163 1252014146 /nfs/dbraw/zinc/01/41/46/1252014146.db2.gz CIXOHOVIVIFNCS-YHDCKOJYSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC000998982163 1252014154 /nfs/dbraw/zinc/01/41/54/1252014154.db2.gz CIXOHOVIVIFNCS-YHDCKOJYSA-N 2 1 361.490 0.627 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC000999211323 1252070222 /nfs/dbraw/zinc/07/02/22/1252070222.db2.gz YKZLPYALFQQHOQ-VNQPRFMTSA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC000999211323 1252070230 /nfs/dbraw/zinc/07/02/30/1252070230.db2.gz YKZLPYALFQQHOQ-VNQPRFMTSA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCO)C3)nn2)CC[N@H+]1C ZINC000999985441 1252258278 /nfs/dbraw/zinc/25/82/78/1252258278.db2.gz CDWIQOISSWQVPJ-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999985441 1252258291 /nfs/dbraw/zinc/25/82/91/1252258291.db2.gz CDWIQOISSWQVPJ-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999985441 1252258300 /nfs/dbraw/zinc/25/83/00/1252258300.db2.gz CDWIQOISSWQVPJ-IXDOHACOSA-N 2 1 364.494 0.254 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002483861 1252571815 /nfs/dbraw/zinc/57/18/15/1252571815.db2.gz XUTZSBJJYMFDRZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002483861 1252571820 /nfs/dbraw/zinc/57/18/20/1252571820.db2.gz XUTZSBJJYMFDRZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002483861 1252571826 /nfs/dbraw/zinc/57/18/26/1252571826.db2.gz XUTZSBJJYMFDRZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002483861 1252571834 /nfs/dbraw/zinc/57/18/34/1252571834.db2.gz XUTZSBJJYMFDRZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002879635 1252725052 /nfs/dbraw/zinc/72/50/52/1252725052.db2.gz JIDPDWUMIZBDQU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002879635 1252725060 /nfs/dbraw/zinc/72/50/60/1252725060.db2.gz JIDPDWUMIZBDQU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002879635 1252725069 /nfs/dbraw/zinc/72/50/69/1252725069.db2.gz JIDPDWUMIZBDQU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002879635 1252725077 /nfs/dbraw/zinc/72/50/77/1252725077.db2.gz JIDPDWUMIZBDQU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005572906 1253583037 /nfs/dbraw/zinc/58/30/37/1253583037.db2.gz AMEQKQKSDKOACW-RDTXWAMCSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005572906 1253583039 /nfs/dbraw/zinc/58/30/39/1253583039.db2.gz AMEQKQKSDKOACW-RDTXWAMCSA-N 2 1 363.506 0.870 20 0 FCADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415401 1253850966 /nfs/dbraw/zinc/85/09/66/1253850966.db2.gz KUOHGUBMSCSGGL-JZXOWHBKSA-N 2 1 366.506 0.141 20 0 FCADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415401 1253850976 /nfs/dbraw/zinc/85/09/76/1253850976.db2.gz KUOHGUBMSCSGGL-JZXOWHBKSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC001027465189 1253854656 /nfs/dbraw/zinc/85/46/56/1253854656.db2.gz SUSSXAPQNMNRRM-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCCC3=O)C2)O1 ZINC001027465189 1253854663 /nfs/dbraw/zinc/85/46/63/1253854663.db2.gz SUSSXAPQNMNRRM-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCN3CCCC3=O)C2)O1 ZINC001027465189 1253854667 /nfs/dbraw/zinc/85/46/67/1253854667.db2.gz SUSSXAPQNMNRRM-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)O1 ZINC001027465189 1253854671 /nfs/dbraw/zinc/85/46/71/1253854671.db2.gz SUSSXAPQNMNRRM-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033195458 1253952622 /nfs/dbraw/zinc/95/26/22/1253952622.db2.gz HRDXTOSGRAXLRM-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033195458 1253952625 /nfs/dbraw/zinc/95/26/25/1253952625.db2.gz HRDXTOSGRAXLRM-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033195458 1253952631 /nfs/dbraw/zinc/95/26/31/1253952631.db2.gz HRDXTOSGRAXLRM-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033195458 1253952638 /nfs/dbraw/zinc/95/26/38/1253952638.db2.gz HRDXTOSGRAXLRM-KZNAEPCWSA-N 2 1 363.506 0.752 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001519902872 1265797521 /nfs/dbraw/zinc/79/75/21/1265797521.db2.gz VNLZNQJYEXOOET-JYJNAYRXSA-N 2 1 355.527 0.107 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001034971612 1254012047 /nfs/dbraw/zinc/01/20/47/1254012047.db2.gz RFBWEZGHPKBXHS-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001034971612 1254012053 /nfs/dbraw/zinc/01/20/53/1254012053.db2.gz RFBWEZGHPKBXHS-FVQBIDKESA-N 2 1 363.462 0.285 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1C[NH+](C)CCN1C ZINC001519902876 1265795825 /nfs/dbraw/zinc/79/58/25/1265795825.db2.gz VNLZNQJYEXOOET-PMPSAXMXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001519902876 1265795827 /nfs/dbraw/zinc/79/58/27/1265795827.db2.gz VNLZNQJYEXOOET-PMPSAXMXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001519902876 1265795829 /nfs/dbraw/zinc/79/58/29/1265795829.db2.gz VNLZNQJYEXOOET-PMPSAXMXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@H]4CCCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035186341 1254019930 /nfs/dbraw/zinc/01/99/30/1254019930.db2.gz ARCKBXMCUHUFBW-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+]([C@H]4CCCNC4=O)C3)CC2)CC[NH+]1C ZINC001035186341 1254019948 /nfs/dbraw/zinc/01/99/48/1254019948.db2.gz ARCKBXMCUHUFBW-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+]([C@H]4CCCNC4=O)C3)CC2)CC[NH+]1C ZINC001035186341 1254019955 /nfs/dbraw/zinc/01/99/55/1254019955.db2.gz ARCKBXMCUHUFBW-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1C[NH+](C)CCN1C ZINC001519902872 1265797508 /nfs/dbraw/zinc/79/75/08/1265797508.db2.gz VNLZNQJYEXOOET-JYJNAYRXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001519902872 1265797511 /nfs/dbraw/zinc/79/75/11/1265797511.db2.gz VNLZNQJYEXOOET-JYJNAYRXSA-N 2 1 355.527 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)NC4CC4)C3)CC2)CC[N@@H+]1C ZINC001035710171 1254060327 /nfs/dbraw/zinc/06/03/27/1254060327.db2.gz JRXVQDGHEVKTSQ-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)NC4CC4)C3)CC2)CC[N@H+]1C ZINC001035710171 1254060344 /nfs/dbraw/zinc/06/03/44/1254060344.db2.gz JRXVQDGHEVKTSQ-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063372429 1254333243 /nfs/dbraw/zinc/33/32/43/1254333243.db2.gz ZAANOVXIDBTTOU-OAGGEKHMSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063372429 1254333264 /nfs/dbraw/zinc/33/32/64/1254333264.db2.gz ZAANOVXIDBTTOU-OAGGEKHMSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC2)CC[N@H+]1C ZINC001063869665 1254398452 /nfs/dbraw/zinc/39/84/52/1254398452.db2.gz STTKPSPRICWQCC-MDZRGWNJSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC2)CC[NH+]1C ZINC001063869665 1254398465 /nfs/dbraw/zinc/39/84/65/1254398465.db2.gz STTKPSPRICWQCC-MDZRGWNJSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC2)CC[NH+]1C ZINC001063869665 1254398476 /nfs/dbraw/zinc/39/84/76/1254398476.db2.gz STTKPSPRICWQCC-MDZRGWNJSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065291696 1254500819 /nfs/dbraw/zinc/50/08/19/1254500819.db2.gz XTQKYMHGEHPRRG-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065291696 1254500843 /nfs/dbraw/zinc/50/08/43/1254500843.db2.gz XTQKYMHGEHPRRG-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065291696 1254500855 /nfs/dbraw/zinc/50/08/55/1254500855.db2.gz XTQKYMHGEHPRRG-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798712 1254619439 /nfs/dbraw/zinc/61/94/39/1254619439.db2.gz LOCZKTDLVJGQBI-YTQUADARSA-N 2 1 357.502 0.837 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C1 ZINC001520274631 1265895134 /nfs/dbraw/zinc/89/51/34/1265895134.db2.gz KADRAIBLRBWGKZ-CVEARBPZSA-N 2 1 361.490 0.909 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440516 1254664555 /nfs/dbraw/zinc/66/45/55/1254664555.db2.gz OMNATYOCVYAFOL-GUDVDZBRSA-N 2 1 365.518 0.839 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cc1 ZINC001077675485 1254857157 /nfs/dbraw/zinc/85/71/57/1254857157.db2.gz OQUCYGOHDCXINW-KFKAGJAMSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1 ZINC001077675485 1254857170 /nfs/dbraw/zinc/85/71/70/1254857170.db2.gz OQUCYGOHDCXINW-KFKAGJAMSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1 ZINC001077675485 1254857181 /nfs/dbraw/zinc/85/71/81/1254857181.db2.gz OQUCYGOHDCXINW-KFKAGJAMSA-N 2 1 361.486 0.883 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680370 1254867814 /nfs/dbraw/zinc/86/78/14/1254867814.db2.gz CFMNJFUOXVLAHS-RKVPGOIHSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680370 1254867824 /nfs/dbraw/zinc/86/78/24/1254867824.db2.gz CFMNJFUOXVLAHS-RKVPGOIHSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680370 1254867837 /nfs/dbraw/zinc/86/78/37/1254867837.db2.gz CFMNJFUOXVLAHS-RKVPGOIHSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680370 1254867852 /nfs/dbraw/zinc/86/78/52/1254867852.db2.gz CFMNJFUOXVLAHS-RKVPGOIHSA-N 2 1 367.469 0.257 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)cc1 ZINC001077838828 1255038797 /nfs/dbraw/zinc/03/87/97/1255038797.db2.gz QCSVPEJMPSOWCR-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001077906467 1255087965 /nfs/dbraw/zinc/08/79/65/1255087965.db2.gz JOVNJIDCTNRSNS-GVDBMIGSSA-N 2 1 359.430 0.467 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001077906467 1255087972 /nfs/dbraw/zinc/08/79/72/1255087972.db2.gz JOVNJIDCTNRSNS-GVDBMIGSSA-N 2 1 359.430 0.467 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978541 1255140532 /nfs/dbraw/zinc/14/05/32/1255140532.db2.gz HQEURGOJNKEGES-RTBURBONSA-N 2 1 365.518 0.696 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001078005942 1255162001 /nfs/dbraw/zinc/16/20/01/1255162001.db2.gz NMIWEVPPDYFYOB-GVDBMIGSSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001078005942 1255162003 /nfs/dbraw/zinc/16/20/03/1255162003.db2.gz NMIWEVPPDYFYOB-GVDBMIGSSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001078005942 1255162004 /nfs/dbraw/zinc/16/20/04/1255162004.db2.gz NMIWEVPPDYFYOB-GVDBMIGSSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001078005942 1255162005 /nfs/dbraw/zinc/16/20/05/1255162005.db2.gz NMIWEVPPDYFYOB-GVDBMIGSSA-N 2 1 361.490 0.151 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078011941 1255167820 /nfs/dbraw/zinc/16/78/20/1255167820.db2.gz ORVNBPYPUMUFED-QZTJIDSGSA-N 2 1 359.470 0.495 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ccc1C ZINC001078012174 1255168541 /nfs/dbraw/zinc/16/85/41/1255168541.db2.gz XHTTZPVSZNZUNJ-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ccc1C ZINC001078012174 1255168552 /nfs/dbraw/zinc/16/85/52/1255168552.db2.gz XHTTZPVSZNZUNJ-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012839 1255168606 /nfs/dbraw/zinc/16/86/06/1255168606.db2.gz DFFPSKAYEZKRJX-IAGOWNOFSA-N 2 1 365.424 0.764 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012839 1255168609 /nfs/dbraw/zinc/16/86/09/1255168609.db2.gz DFFPSKAYEZKRJX-IAGOWNOFSA-N 2 1 365.424 0.764 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001078404168 1255407766 /nfs/dbraw/zinc/40/77/66/1255407766.db2.gz UEQNFTLAFIATDY-IXDOHACOSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001078404168 1255407771 /nfs/dbraw/zinc/40/77/71/1255407771.db2.gz UEQNFTLAFIATDY-IXDOHACOSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccccn3)C2)O1 ZINC001078418559 1255410284 /nfs/dbraw/zinc/41/02/84/1255410284.db2.gz QUMLYNMQXPNPPL-BPQIPLTHSA-N 2 1 362.474 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccccn3)C2)O1 ZINC001078418559 1255410288 /nfs/dbraw/zinc/41/02/88/1255410288.db2.gz QUMLYNMQXPNPPL-BPQIPLTHSA-N 2 1 362.474 0.508 20 0 FCADMP O=C(N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001079146408 1255458773 /nfs/dbraw/zinc/45/87/73/1255458773.db2.gz KVMICNKMEUEIKQ-QZTJIDSGSA-N 2 1 359.470 0.148 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1 ZINC001079316150 1255505613 /nfs/dbraw/zinc/50/56/13/1255505613.db2.gz ZMIFDEONRAEPHC-FUHWJXTLSA-N 2 1 365.449 0.424 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494428 1255529020 /nfs/dbraw/zinc/52/90/20/1255529020.db2.gz CZBFFZICRUYNGM-MZMPZRCHSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494428 1255529026 /nfs/dbraw/zinc/52/90/26/1255529026.db2.gz CZBFFZICRUYNGM-MZMPZRCHSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494428 1255529031 /nfs/dbraw/zinc/52/90/31/1255529031.db2.gz CZBFFZICRUYNGM-MZMPZRCHSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846310 1255631491 /nfs/dbraw/zinc/63/14/91/1255631491.db2.gz IRYXRQQJEFWIAB-KFWWJZLASA-N 2 1 360.462 0.222 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846310 1255631499 /nfs/dbraw/zinc/63/14/99/1255631499.db2.gz IRYXRQQJEFWIAB-KFWWJZLASA-N 2 1 360.462 0.222 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001079846589 1255632198 /nfs/dbraw/zinc/63/21/98/1255632198.db2.gz UNSAMMXNQYKYJI-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001079846589 1255632202 /nfs/dbraw/zinc/63/22/02/1255632202.db2.gz UNSAMMXNQYKYJI-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001079861313 1255638705 /nfs/dbraw/zinc/63/87/05/1255638705.db2.gz UZJDWOGBTCRYEN-DLBZAZTESA-N 2 1 368.522 0.354 20 0 FCADMP CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079950062 1255676193 /nfs/dbraw/zinc/67/61/93/1255676193.db2.gz ZHEZQLJNLFZDKQ-OIISXLGYSA-N 2 1 368.522 0.351 20 0 FCADMP CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079950062 1255676199 /nfs/dbraw/zinc/67/61/99/1255676199.db2.gz ZHEZQLJNLFZDKQ-OIISXLGYSA-N 2 1 368.522 0.351 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080012329 1255706658 /nfs/dbraw/zinc/70/66/58/1255706658.db2.gz YJWPQMSJQXOWEE-CSMYWGQOSA-N 2 1 355.442 0.971 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080012329 1255706665 /nfs/dbraw/zinc/70/66/65/1255706665.db2.gz YJWPQMSJQXOWEE-CSMYWGQOSA-N 2 1 355.442 0.971 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254982 1255808773 /nfs/dbraw/zinc/80/87/73/1255808773.db2.gz KYOWHBHJRIRAOR-HUUCEWRRSA-N 2 1 364.490 0.446 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001080451046 1255894712 /nfs/dbraw/zinc/89/47/12/1255894712.db2.gz YEDFXWNBSQXXPZ-FRFSOERESA-N 2 1 357.462 0.482 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001080451046 1255894717 /nfs/dbraw/zinc/89/47/17/1255894717.db2.gz YEDFXWNBSQXXPZ-FRFSOERESA-N 2 1 357.462 0.482 20 0 FCADMP CCN(C(=O)C[NH+]1CCC[C@@H]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080554791 1255929237 /nfs/dbraw/zinc/92/92/37/1255929237.db2.gz CYNXNZZMBJZWPR-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[NH+]1CCC[C@@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080554791 1255929244 /nfs/dbraw/zinc/92/92/44/1255929244.db2.gz CYNXNZZMBJZWPR-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080554791 1255929248 /nfs/dbraw/zinc/92/92/48/1255929248.db2.gz CYNXNZZMBJZWPR-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080554791 1255929256 /nfs/dbraw/zinc/92/92/56/1255929256.db2.gz CYNXNZZMBJZWPR-ZMSDIMECSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593175 1255946232 /nfs/dbraw/zinc/94/62/32/1255946232.db2.gz MKYFMPUZFNFFFC-SOLBZPMBSA-N 2 1 363.506 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593236 1255946458 /nfs/dbraw/zinc/94/64/58/1255946458.db2.gz PWXBPGWDRQRKHP-NVXWUHKLSA-N 2 1 359.478 0.392 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779129 1256033838 /nfs/dbraw/zinc/03/38/38/1256033838.db2.gz GCHVQTKUTIFERQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779129 1256033843 /nfs/dbraw/zinc/03/38/43/1256033843.db2.gz GCHVQTKUTIFERQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779129 1256033849 /nfs/dbraw/zinc/03/38/49/1256033849.db2.gz GCHVQTKUTIFERQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779129 1256033854 /nfs/dbraw/zinc/03/38/54/1256033854.db2.gz GCHVQTKUTIFERQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)CCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001080878056 1256072107 /nfs/dbraw/zinc/07/21/07/1256072107.db2.gz YBROLKCTNFIWIG-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081098148 1256177282 /nfs/dbraw/zinc/17/72/82/1256177282.db2.gz XGRVZZCFRBASCV-BBWFWOEESA-N 2 1 369.473 0.389 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081098148 1256177283 /nfs/dbraw/zinc/17/72/83/1256177283.db2.gz XGRVZZCFRBASCV-BBWFWOEESA-N 2 1 369.473 0.389 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001081229154 1256212939 /nfs/dbraw/zinc/21/29/39/1256212939.db2.gz JJDUMMUEBNZNEZ-RRQGHBQHSA-N 2 1 355.442 0.650 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670202 1256329496 /nfs/dbraw/zinc/32/94/96/1256329496.db2.gz IWQJTANVLFYMPU-JFIYKMOQSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670202 1256329500 /nfs/dbraw/zinc/32/95/00/1256329500.db2.gz IWQJTANVLFYMPU-JFIYKMOQSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848209 1256409850 /nfs/dbraw/zinc/40/98/50/1256409850.db2.gz RNWGUKXQCMSNEZ-NXWXRZEISA-N 2 1 361.486 0.764 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848209 1256409853 /nfs/dbraw/zinc/40/98/53/1256409853.db2.gz RNWGUKXQCMSNEZ-NXWXRZEISA-N 2 1 361.486 0.764 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848209 1256409856 /nfs/dbraw/zinc/40/98/56/1256409856.db2.gz RNWGUKXQCMSNEZ-NXWXRZEISA-N 2 1 361.486 0.764 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848209 1256409858 /nfs/dbraw/zinc/40/98/58/1256409858.db2.gz RNWGUKXQCMSNEZ-NXWXRZEISA-N 2 1 361.486 0.764 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001081932768 1256458475 /nfs/dbraw/zinc/45/84/75/1256458475.db2.gz XOGPLURWDNKPJZ-BMGDILEWSA-N 2 1 371.441 0.733 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@H](OC)C2)cn1 ZINC001082133614 1256550034 /nfs/dbraw/zinc/55/00/34/1256550034.db2.gz JUCGTQOYVMUWBG-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@H](OC)C2)cn1 ZINC001082133614 1256550035 /nfs/dbraw/zinc/55/00/35/1256550035.db2.gz JUCGTQOYVMUWBG-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](OC)C2)cn1 ZINC001082133614 1256550037 /nfs/dbraw/zinc/55/00/37/1256550037.db2.gz JUCGTQOYVMUWBG-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@H](OC)C2)cn1 ZINC001082133614 1256550039 /nfs/dbraw/zinc/55/00/39/1256550039.db2.gz JUCGTQOYVMUWBG-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135306 1256554160 /nfs/dbraw/zinc/55/41/60/1256554160.db2.gz XTGRXZSNEHAQGH-IAOVAPTHSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135306 1256554166 /nfs/dbraw/zinc/55/41/66/1256554166.db2.gz XTGRXZSNEHAQGH-IAOVAPTHSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135306 1256554169 /nfs/dbraw/zinc/55/41/69/1256554169.db2.gz XTGRXZSNEHAQGH-IAOVAPTHSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135306 1256554173 /nfs/dbraw/zinc/55/41/73/1256554173.db2.gz XTGRXZSNEHAQGH-IAOVAPTHSA-N 2 1 364.494 0.052 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082144736 1256560325 /nfs/dbraw/zinc/56/03/25/1256560325.db2.gz DTWODUUTQWOVBD-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082144736 1256560331 /nfs/dbraw/zinc/56/03/31/1256560331.db2.gz DTWODUUTQWOVBD-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082144736 1256560335 /nfs/dbraw/zinc/56/03/35/1256560335.db2.gz DTWODUUTQWOVBD-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082144736 1256560341 /nfs/dbraw/zinc/56/03/41/1256560341.db2.gz DTWODUUTQWOVBD-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001082199914 1256586982 /nfs/dbraw/zinc/58/69/82/1256586982.db2.gz IVYCXDYSKRUGHF-IXDOHACOSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001082199914 1256586983 /nfs/dbraw/zinc/58/69/83/1256586983.db2.gz IVYCXDYSKRUGHF-IXDOHACOSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001082199914 1256586985 /nfs/dbraw/zinc/58/69/85/1256586985.db2.gz IVYCXDYSKRUGHF-IXDOHACOSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001082199914 1256586987 /nfs/dbraw/zinc/58/69/87/1256586987.db2.gz IVYCXDYSKRUGHF-IXDOHACOSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223085 1256597135 /nfs/dbraw/zinc/59/71/35/1256597135.db2.gz ASGKXZSXHTYFES-NANBGGJNSA-N 2 1 363.506 0.920 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368473 1256717076 /nfs/dbraw/zinc/71/70/76/1256717076.db2.gz CRZGRWMKICUBPM-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368473 1256717080 /nfs/dbraw/zinc/71/70/80/1256717080.db2.gz CRZGRWMKICUBPM-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368473 1256717083 /nfs/dbraw/zinc/71/70/83/1256717083.db2.gz CRZGRWMKICUBPM-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368473 1256717087 /nfs/dbraw/zinc/71/70/87/1256717087.db2.gz CRZGRWMKICUBPM-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369931 1256718306 /nfs/dbraw/zinc/71/83/06/1256718306.db2.gz KKOMWAAJOAZUSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369931 1256718311 /nfs/dbraw/zinc/71/83/11/1256718311.db2.gz KKOMWAAJOAZUSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369931 1256718315 /nfs/dbraw/zinc/71/83/15/1256718315.db2.gz KKOMWAAJOAZUSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369931 1256718322 /nfs/dbraw/zinc/71/83/22/1256718322.db2.gz KKOMWAAJOAZUSE-BMGDILEWSA-N 2 1 365.449 0.972 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377397 1256727985 /nfs/dbraw/zinc/72/79/85/1256727985.db2.gz ODOCJTDFHJLKSJ-QRVBRYPASA-N 2 1 361.486 0.765 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377397 1256727988 /nfs/dbraw/zinc/72/79/88/1256727988.db2.gz ODOCJTDFHJLKSJ-QRVBRYPASA-N 2 1 361.486 0.765 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377397 1256727990 /nfs/dbraw/zinc/72/79/90/1256727990.db2.gz ODOCJTDFHJLKSJ-QRVBRYPASA-N 2 1 361.486 0.765 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2OC)C1 ZINC001082377397 1256727994 /nfs/dbraw/zinc/72/79/94/1256727994.db2.gz ODOCJTDFHJLKSJ-QRVBRYPASA-N 2 1 361.486 0.765 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082458273 1256771166 /nfs/dbraw/zinc/77/11/66/1256771166.db2.gz FKAZHNWZZDGJHN-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082458273 1256771169 /nfs/dbraw/zinc/77/11/69/1256771169.db2.gz FKAZHNWZZDGJHN-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515202 1256798891 /nfs/dbraw/zinc/79/88/91/1256798891.db2.gz DXYFIJSKKBPTEV-KBRIMQKVSA-N 2 1 360.506 0.885 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082557055 1256851493 /nfs/dbraw/zinc/85/14/93/1256851493.db2.gz MXXKMKYMTXRROD-RBSFLKMASA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001082590367 1256903331 /nfs/dbraw/zinc/90/33/31/1256903331.db2.gz SGGITFPAWWRCIL-XHSVMWQWSA-N 2 1 373.457 0.878 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001082590367 1256903333 /nfs/dbraw/zinc/90/33/33/1256903333.db2.gz SGGITFPAWWRCIL-XHSVMWQWSA-N 2 1 373.457 0.878 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082590122 1256904251 /nfs/dbraw/zinc/90/42/51/1256904251.db2.gz DLLMWGKITUHDST-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082590122 1256904256 /nfs/dbraw/zinc/90/42/56/1256904256.db2.gz DLLMWGKITUHDST-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082608899 1256919427 /nfs/dbraw/zinc/91/94/27/1256919427.db2.gz FSQJJTUVKOSARE-CXAGYDPISA-N 2 1 360.462 0.763 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C)c1nnnn1C ZINC001082645145 1256950366 /nfs/dbraw/zinc/95/03/66/1256950366.db2.gz JHXSKQVZOKCAMZ-TYNCELHUSA-N 2 1 354.418 0.669 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653238 1256956766 /nfs/dbraw/zinc/95/67/66/1256956766.db2.gz BNPJOWHNZSZKPS-BZXJFZBQSA-N 2 1 361.446 0.178 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653238 1256956772 /nfs/dbraw/zinc/95/67/72/1256956772.db2.gz BNPJOWHNZSZKPS-BZXJFZBQSA-N 2 1 361.446 0.178 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653239 1256958439 /nfs/dbraw/zinc/95/84/39/1256958439.db2.gz BNPJOWHNZSZKPS-PLQXLYLNSA-N 2 1 361.446 0.178 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653239 1256958448 /nfs/dbraw/zinc/95/84/48/1256958448.db2.gz BNPJOWHNZSZKPS-PLQXLYLNSA-N 2 1 361.446 0.178 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001082681641 1256983424 /nfs/dbraw/zinc/98/34/24/1256983424.db2.gz IOQHLQRJIZXQPC-HUUCEWRRSA-N 2 1 363.510 0.894 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)CC2 ZINC001082708775 1257001660 /nfs/dbraw/zinc/00/16/60/1257001660.db2.gz MXPMVXJHBICLJE-UKPHBRMFSA-N 2 1 359.474 0.423 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082719423 1257010021 /nfs/dbraw/zinc/01/00/21/1257010021.db2.gz HZHJLVKCEFZIDG-TZMCWYRMSA-N 2 1 370.448 0.822 20 0 FCADMP CC(C)(CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C[NH+]1CCCC1 ZINC001521119948 1266087882 /nfs/dbraw/zinc/08/78/82/1266087882.db2.gz RZNXFGQZDKXQLD-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC(C)(CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)C[NH+]1CCCC1 ZINC001521119948 1266087889 /nfs/dbraw/zinc/08/78/89/1266087889.db2.gz RZNXFGQZDKXQLD-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082859924 1257112258 /nfs/dbraw/zinc/11/22/58/1257112258.db2.gz ODJXZCAMBFMJBP-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082859924 1257112261 /nfs/dbraw/zinc/11/22/61/1257112261.db2.gz ODJXZCAMBFMJBP-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082861799 1257113205 /nfs/dbraw/zinc/11/32/05/1257113205.db2.gz OVKGEQVORKFOCU-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082861799 1257113210 /nfs/dbraw/zinc/11/32/10/1257113210.db2.gz OVKGEQVORKFOCU-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082863536 1257113223 /nfs/dbraw/zinc/11/32/23/1257113223.db2.gz HVTSYBGKQOQBHQ-UKRRQHHQSA-N 2 1 358.490 0.725 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1 ZINC001082922534 1257147278 /nfs/dbraw/zinc/14/72/78/1257147278.db2.gz LHSATXGCOXKFPD-ZMSDIMECSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082943498 1257160850 /nfs/dbraw/zinc/16/08/50/1257160850.db2.gz KUUVARIACRGHSE-BMFZPTHFSA-N 2 1 361.494 0.819 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082943498 1257160854 /nfs/dbraw/zinc/16/08/54/1257160854.db2.gz KUUVARIACRGHSE-BMFZPTHFSA-N 2 1 361.494 0.819 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106249 1257320194 /nfs/dbraw/zinc/32/01/94/1257320194.db2.gz SAJOHGGJJQJZDS-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106249 1257320197 /nfs/dbraw/zinc/32/01/97/1257320197.db2.gz SAJOHGGJJQJZDS-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106249 1257320203 /nfs/dbraw/zinc/32/02/03/1257320203.db2.gz SAJOHGGJJQJZDS-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106249 1257320207 /nfs/dbraw/zinc/32/02/07/1257320207.db2.gz SAJOHGGJJQJZDS-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083110848 1257334638 /nfs/dbraw/zinc/33/46/38/1257334638.db2.gz XMKIIIAGQYSJHO-YESZJQIVSA-N 2 1 362.478 0.064 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083110848 1257334645 /nfs/dbraw/zinc/33/46/45/1257334645.db2.gz XMKIIIAGQYSJHO-YESZJQIVSA-N 2 1 362.478 0.064 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083110848 1257334654 /nfs/dbraw/zinc/33/46/54/1257334654.db2.gz XMKIIIAGQYSJHO-YESZJQIVSA-N 2 1 362.478 0.064 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083110848 1257334665 /nfs/dbraw/zinc/33/46/65/1257334665.db2.gz XMKIIIAGQYSJHO-YESZJQIVSA-N 2 1 362.478 0.064 20 0 FCADMP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4ccc5c[nH+]cn5c4)[C@H]3C2)C1=O ZINC001083144772 1257398771 /nfs/dbraw/zinc/39/87/71/1257398771.db2.gz YLNGGWDGLJZDFC-IXDOHACOSA-N 2 1 369.425 0.090 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)c4ccc5c[nH+]cn5c4)[C@H]3C2)C1=O ZINC001083144772 1257398779 /nfs/dbraw/zinc/39/87/79/1257398779.db2.gz YLNGGWDGLJZDFC-IXDOHACOSA-N 2 1 369.425 0.090 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)C1 ZINC001083733584 1257470485 /nfs/dbraw/zinc/47/04/85/1257470485.db2.gz URYSZRQAQZFNTE-BNICSPFPSA-N 2 1 365.474 0.931 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)C1 ZINC001083733584 1257470488 /nfs/dbraw/zinc/47/04/88/1257470488.db2.gz URYSZRQAQZFNTE-BNICSPFPSA-N 2 1 365.474 0.931 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083733254 1257470757 /nfs/dbraw/zinc/47/07/57/1257470757.db2.gz GXZWYYNDVCNCFZ-UAGQMJEPSA-N 2 1 365.474 0.933 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083733254 1257470763 /nfs/dbraw/zinc/47/07/63/1257470763.db2.gz GXZWYYNDVCNCFZ-UAGQMJEPSA-N 2 1 365.474 0.933 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083781699 1257525490 /nfs/dbraw/zinc/52/54/90/1257525490.db2.gz RZNBURCDHGGMNW-JQHSSLGASA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083781699 1257525493 /nfs/dbraw/zinc/52/54/93/1257525493.db2.gz RZNBURCDHGGMNW-JQHSSLGASA-N 2 1 362.474 0.342 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC001330969515 1266124170 /nfs/dbraw/zinc/12/41/70/1266124170.db2.gz IDGACOCMMUYHCV-IBGZPJMESA-N 2 1 358.486 0.816 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083833731 1257587144 /nfs/dbraw/zinc/58/71/44/1257587144.db2.gz RQHFQBXRAFDDBU-QRVBRYPASA-N 2 1 367.534 0.821 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)cn1 ZINC001083851187 1257607996 /nfs/dbraw/zinc/60/79/96/1257607996.db2.gz RJIHOOCFUNADOI-CABCVRRESA-N 2 1 371.432 0.265 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083952933 1257740941 /nfs/dbraw/zinc/74/09/41/1257740941.db2.gz APGIFZNEAGULKT-QRQLOZEOSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001083952933 1257740946 /nfs/dbraw/zinc/74/09/46/1257740946.db2.gz APGIFZNEAGULKT-QRQLOZEOSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001083952933 1257740951 /nfs/dbraw/zinc/74/09/51/1257740951.db2.gz APGIFZNEAGULKT-QRQLOZEOSA-N 2 1 361.486 0.836 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083955088 1257743483 /nfs/dbraw/zinc/74/34/83/1257743483.db2.gz WBPFIKGLUMXZFC-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083955088 1257743487 /nfs/dbraw/zinc/74/34/87/1257743487.db2.gz WBPFIKGLUMXZFC-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083955088 1257743490 /nfs/dbraw/zinc/74/34/90/1257743490.db2.gz WBPFIKGLUMXZFC-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1 ZINC001083958466 1257748577 /nfs/dbraw/zinc/74/85/77/1257748577.db2.gz IHEAHTZTRLQPPV-MSOLQXFVSA-N 2 1 359.470 0.590 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1 ZINC001083958466 1257748585 /nfs/dbraw/zinc/74/85/85/1257748585.db2.gz IHEAHTZTRLQPPV-MSOLQXFVSA-N 2 1 359.470 0.590 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053955 1257865081 /nfs/dbraw/zinc/86/50/81/1257865081.db2.gz QNALSHOTSIDRSV-QRQLOZEOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053955 1257865090 /nfs/dbraw/zinc/86/50/90/1257865090.db2.gz QNALSHOTSIDRSV-QRQLOZEOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053955 1257865098 /nfs/dbraw/zinc/86/50/98/1257865098.db2.gz QNALSHOTSIDRSV-QRQLOZEOSA-N 2 1 369.469 0.485 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@H+]1C ZINC001084355879 1258047204 /nfs/dbraw/zinc/04/72/04/1258047204.db2.gz MKPCAURZKUKVMF-VDHUWJSZSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC001084355879 1258047213 /nfs/dbraw/zinc/04/72/13/1258047213.db2.gz MKPCAURZKUKVMF-VDHUWJSZSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)CC[NH+]1C ZINC001084355879 1258047215 /nfs/dbraw/zinc/04/72/15/1258047215.db2.gz MKPCAURZKUKVMF-VDHUWJSZSA-N 2 1 358.486 0.758 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)n1 ZINC001084406314 1258086960 /nfs/dbraw/zinc/08/69/60/1258086960.db2.gz MDOWJLNGVWDGTN-KZNAEPCWSA-N 2 1 360.506 0.768 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CCO1 ZINC001331163148 1266161454 /nfs/dbraw/zinc/16/14/54/1266161454.db2.gz YROGIOZSBKTVDM-OLMNPRSZSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CCO1 ZINC001331163148 1266161455 /nfs/dbraw/zinc/16/14/55/1266161455.db2.gz YROGIOZSBKTVDM-OLMNPRSZSA-N 2 1 374.485 0.377 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084521930 1258149071 /nfs/dbraw/zinc/14/90/71/1258149071.db2.gz AWWWBCCNMQTOMM-RHSMWYFYSA-N 2 1 368.441 0.506 20 0 FCADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3ccccn3)C[C@H]21 ZINC001084532826 1258156880 /nfs/dbraw/zinc/15/68/80/1258156880.db2.gz QLTUAQDYRNXZPH-XMLLHHDNSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3ccccn3)C[C@H]21 ZINC001084532826 1258156883 /nfs/dbraw/zinc/15/68/83/1258156883.db2.gz QLTUAQDYRNXZPH-XMLLHHDNSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]21 ZINC001084532826 1258156887 /nfs/dbraw/zinc/15/68/87/1258156887.db2.gz QLTUAQDYRNXZPH-XMLLHHDNSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001084532826 1258156892 /nfs/dbraw/zinc/15/68/92/1258156892.db2.gz QLTUAQDYRNXZPH-XMLLHHDNSA-N 2 1 368.481 0.978 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660561 1258222551 /nfs/dbraw/zinc/22/25/51/1258222551.db2.gz LLNBIVYQIJWCQP-CGTJXYLNSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660561 1258222556 /nfs/dbraw/zinc/22/25/56/1258222556.db2.gz LLNBIVYQIJWCQP-CGTJXYLNSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084660561 1258222560 /nfs/dbraw/zinc/22/25/60/1258222560.db2.gz LLNBIVYQIJWCQP-CGTJXYLNSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663276 1258224416 /nfs/dbraw/zinc/22/44/16/1258224416.db2.gz VHLZJAHGBPBZKV-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663276 1258224420 /nfs/dbraw/zinc/22/44/20/1258224420.db2.gz VHLZJAHGBPBZKV-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084663276 1258224426 /nfs/dbraw/zinc/22/44/26/1258224426.db2.gz VHLZJAHGBPBZKV-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331197335 1266168451 /nfs/dbraw/zinc/16/84/51/1266168451.db2.gz QDUPZEAEDPBBKY-KURKYZTESA-N 2 1 358.486 0.820 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702065 1258250632 /nfs/dbraw/zinc/25/06/32/1258250632.db2.gz FGOXQEURNZTWJK-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084834320 1258381937 /nfs/dbraw/zinc/38/19/37/1258381937.db2.gz VMBMMRLDKSPCCK-KZNAEPCWSA-N 2 1 361.490 0.384 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084851265 1258399997 /nfs/dbraw/zinc/39/99/97/1258399997.db2.gz UXGMKCHEMUYCTK-OWCLPIDISA-N 2 1 362.474 0.200 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084851265 1258400015 /nfs/dbraw/zinc/40/00/15/1258400015.db2.gz UXGMKCHEMUYCTK-OWCLPIDISA-N 2 1 362.474 0.200 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084941489 1258454873 /nfs/dbraw/zinc/45/48/73/1258454873.db2.gz LMIZWTRFXYXGSV-SQNIBIBYSA-N 2 1 358.490 0.543 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cncn4)[C@H]3C2)CC[N@H+]1C ZINC001084944737 1258457460 /nfs/dbraw/zinc/45/74/60/1258457460.db2.gz KJORYBRASJUUQM-XDNAFOTISA-N 2 1 360.506 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCn4cncn4)[C@H]3C2)CC[NH+]1C ZINC001084944737 1258457467 /nfs/dbraw/zinc/45/74/67/1258457467.db2.gz KJORYBRASJUUQM-XDNAFOTISA-N 2 1 360.506 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)CC[NH+]1C ZINC001084944737 1258457469 /nfs/dbraw/zinc/45/74/69/1258457469.db2.gz KJORYBRASJUUQM-XDNAFOTISA-N 2 1 360.506 0.931 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001084969113 1258483467 /nfs/dbraw/zinc/48/34/67/1258483467.db2.gz VYHRSNKIVKSYMQ-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084997686 1258506428 /nfs/dbraw/zinc/50/64/28/1258506428.db2.gz RKRHNYAJBXGUDH-AEFFLSMTSA-N 2 1 358.486 0.812 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084997686 1258506433 /nfs/dbraw/zinc/50/64/33/1258506433.db2.gz RKRHNYAJBXGUDH-AEFFLSMTSA-N 2 1 358.486 0.812 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001085075878 1258571097 /nfs/dbraw/zinc/57/10/97/1258571097.db2.gz QZMHXJFYWGXKDK-QAPCUYQASA-N 2 1 369.473 0.976 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001085075878 1258571099 /nfs/dbraw/zinc/57/10/99/1258571099.db2.gz QZMHXJFYWGXKDK-QAPCUYQASA-N 2 1 369.473 0.976 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086734932 1258632287 /nfs/dbraw/zinc/63/22/87/1258632287.db2.gz ZDUDHLVDQIMJIM-SQWLQELKSA-N 2 1 361.494 0.867 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153583 1258665077 /nfs/dbraw/zinc/66/50/77/1258665077.db2.gz BECVPNMGFTXUHI-HLLBOEOZSA-N 2 1 366.506 0.141 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170072 1258690560 /nfs/dbraw/zinc/69/05/60/1258690560.db2.gz DBXAMLQMEIOLSB-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170072 1258690567 /nfs/dbraw/zinc/69/05/67/1258690567.db2.gz DBXAMLQMEIOLSB-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)C1 ZINC001088170072 1258690569 /nfs/dbraw/zinc/69/05/69/1258690569.db2.gz DBXAMLQMEIOLSB-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172183 1258692256 /nfs/dbraw/zinc/69/22/56/1258692256.db2.gz ZCBYMXHZAWUXJL-IKGGRYGDSA-N 2 1 360.502 0.483 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173120 1258693202 /nfs/dbraw/zinc/69/32/02/1258693202.db2.gz TXJRNMQYPGVYPA-CABCVRRESA-N 2 1 359.474 0.630 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088172864 1258693688 /nfs/dbraw/zinc/69/36/88/1258693688.db2.gz HXHHFTWLTMWZLH-KEYYUXOJSA-N 2 1 357.458 0.430 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200964 1258721290 /nfs/dbraw/zinc/72/12/90/1258721290.db2.gz DGYAEPQBGUIVSC-SJORKVTESA-N 2 1 360.506 0.983 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088200177 1258721976 /nfs/dbraw/zinc/72/19/76/1258721976.db2.gz RVQFUOUAQLXTIH-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088200177 1258721982 /nfs/dbraw/zinc/72/19/82/1258721982.db2.gz RVQFUOUAQLXTIH-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088200177 1258721986 /nfs/dbraw/zinc/72/19/86/1258721986.db2.gz RVQFUOUAQLXTIH-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088202121 1258724077 /nfs/dbraw/zinc/72/40/77/1258724077.db2.gz LNRJQALBWDJCOY-BMFZPTHFSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088202121 1258724084 /nfs/dbraw/zinc/72/40/84/1258724084.db2.gz LNRJQALBWDJCOY-BMFZPTHFSA-N 2 1 359.474 0.639 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207011 1258730323 /nfs/dbraw/zinc/73/03/23/1258730323.db2.gz QCULMUUXJIBOEB-SQNIBIBYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207011 1258730326 /nfs/dbraw/zinc/73/03/26/1258730326.db2.gz QCULMUUXJIBOEB-SQNIBIBYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207011 1258730328 /nfs/dbraw/zinc/73/03/28/1258730328.db2.gz QCULMUUXJIBOEB-SQNIBIBYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207011 1258730329 /nfs/dbraw/zinc/73/03/29/1258730329.db2.gz QCULMUUXJIBOEB-SQNIBIBYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208361 1258732790 /nfs/dbraw/zinc/73/27/90/1258732790.db2.gz WKNZCGWJMHPZBD-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208361 1258732794 /nfs/dbraw/zinc/73/27/94/1258732794.db2.gz WKNZCGWJMHPZBD-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208361 1258732800 /nfs/dbraw/zinc/73/28/00/1258732800.db2.gz WKNZCGWJMHPZBD-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)C1 ZINC001088208361 1258732807 /nfs/dbraw/zinc/73/28/07/1258732807.db2.gz WKNZCGWJMHPZBD-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211711 1258734861 /nfs/dbraw/zinc/73/48/61/1258734861.db2.gz WDEQOUVNEBOCFM-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211711 1258734865 /nfs/dbraw/zinc/73/48/65/1258734865.db2.gz WDEQOUVNEBOCFM-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088211711 1258734870 /nfs/dbraw/zinc/73/48/70/1258734870.db2.gz WDEQOUVNEBOCFM-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)C1=O ZINC001088211989 1258734897 /nfs/dbraw/zinc/73/48/97/1258734897.db2.gz JGCWHQYUAVODMI-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828888 1258857679 /nfs/dbraw/zinc/85/76/79/1258857679.db2.gz UKLSUVXAMUTHJE-UNEWFSDZSA-N 2 1 355.442 0.911 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC001331450341 1266216827 /nfs/dbraw/zinc/21/68/27/1266216827.db2.gz FBGDTWNBIIIHFH-UHFFFAOYSA-N 2 1 374.533 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106666548 1258936811 /nfs/dbraw/zinc/93/68/11/1258936811.db2.gz NYHICNKHCNMGQG-CLCXKQKWSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106672156 1258938069 /nfs/dbraw/zinc/93/80/69/1258938069.db2.gz HRLROJLFPKLYLT-MGPQQGTHSA-N 2 1 369.510 0.232 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC001106765673 1258958876 /nfs/dbraw/zinc/95/88/76/1258958876.db2.gz OIPIIQCXPLQOND-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001107039721 1259022626 /nfs/dbraw/zinc/02/26/26/1259022626.db2.gz VVRRDBSKDRJDDC-BHIYHBOVSA-N 2 1 363.502 0.982 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC1CC1)CC2 ZINC001107329556 1259054508 /nfs/dbraw/zinc/05/45/08/1259054508.db2.gz ZHTMEXSIIPLXPA-MBOZVWFJSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2 ZINC001107329556 1259054515 /nfs/dbraw/zinc/05/45/15/1259054515.db2.gz ZHTMEXSIIPLXPA-MBOZVWFJSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC1CC1)CC2 ZINC001107329556 1259054523 /nfs/dbraw/zinc/05/45/23/1259054523.db2.gz ZHTMEXSIIPLXPA-MBOZVWFJSA-N 2 1 362.518 0.968 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343072 1259057408 /nfs/dbraw/zinc/05/74/08/1259057408.db2.gz JWNNVPXVCJTNAZ-ZHALLVOQSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343072 1259057415 /nfs/dbraw/zinc/05/74/15/1259057415.db2.gz JWNNVPXVCJTNAZ-ZHALLVOQSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343072 1259057423 /nfs/dbraw/zinc/05/74/23/1259057423.db2.gz JWNNVPXVCJTNAZ-ZHALLVOQSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343072 1259057429 /nfs/dbraw/zinc/05/74/29/1259057429.db2.gz JWNNVPXVCJTNAZ-ZHALLVOQSA-N 2 1 369.506 0.341 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609506 1259132261 /nfs/dbraw/zinc/13/22/61/1259132261.db2.gz VMOYBNCDANLUOI-VQIMIIECSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107615522 1259133700 /nfs/dbraw/zinc/13/37/00/1259133700.db2.gz FSCIYCWLDLSNKT-RDTXWAMCSA-N 2 1 367.494 0.274 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107615522 1259133706 /nfs/dbraw/zinc/13/37/06/1259133706.db2.gz FSCIYCWLDLSNKT-RDTXWAMCSA-N 2 1 367.494 0.274 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107615522 1259133708 /nfs/dbraw/zinc/13/37/08/1259133708.db2.gz FSCIYCWLDLSNKT-RDTXWAMCSA-N 2 1 367.494 0.274 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639036 1259139978 /nfs/dbraw/zinc/13/99/78/1259139978.db2.gz SLPKSXWVMIEMKD-FRQCXROJSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639036 1259139980 /nfs/dbraw/zinc/13/99/80/1259139980.db2.gz SLPKSXWVMIEMKD-FRQCXROJSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639036 1259139984 /nfs/dbraw/zinc/13/99/84/1259139984.db2.gz SLPKSXWVMIEMKD-FRQCXROJSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639036 1259139990 /nfs/dbraw/zinc/13/99/90/1259139990.db2.gz SLPKSXWVMIEMKD-FRQCXROJSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107633824 1259140180 /nfs/dbraw/zinc/14/01/80/1259140180.db2.gz DGGMDTULPZJZHL-VQIMIIECSA-N 2 1 359.474 0.831 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107633824 1259140183 /nfs/dbraw/zinc/14/01/83/1259140183.db2.gz DGGMDTULPZJZHL-VQIMIIECSA-N 2 1 359.474 0.831 20 0 FCADMP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC1CC1)CC2 ZINC001107633154 1259141017 /nfs/dbraw/zinc/14/10/17/1259141017.db2.gz MFTMORSNWBMSPH-YLJYHZDGSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCc3ccnn3C)CCO2)CC[N@@H+]1C ZINC001107953116 1259147371 /nfs/dbraw/zinc/14/73/71/1259147371.db2.gz RHNMHCDZJOMWBT-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCc3ccnn3C)CCO2)CC[N@H+]1C ZINC001107953116 1259147375 /nfs/dbraw/zinc/14/73/75/1259147375.db2.gz RHNMHCDZJOMWBT-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001107953116 1259147380 /nfs/dbraw/zinc/14/73/80/1259147380.db2.gz RHNMHCDZJOMWBT-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001107953116 1259147384 /nfs/dbraw/zinc/14/73/84/1259147384.db2.gz RHNMHCDZJOMWBT-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127695425 1259184388 /nfs/dbraw/zinc/18/43/88/1259184388.db2.gz KLPYNRZXRYHESZ-MELADBBJSA-N 2 1 369.510 0.435 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049478 1259298783 /nfs/dbraw/zinc/29/87/83/1259298783.db2.gz XLSOQYMFMFCTBS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049478 1259298787 /nfs/dbraw/zinc/29/87/87/1259298787.db2.gz XLSOQYMFMFCTBS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049478 1259298793 /nfs/dbraw/zinc/29/87/93/1259298793.db2.gz XLSOQYMFMFCTBS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129049478 1259298796 /nfs/dbraw/zinc/29/87/96/1259298796.db2.gz XLSOQYMFMFCTBS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089639 1259308882 /nfs/dbraw/zinc/30/88/82/1259308882.db2.gz MNBHHYAAEUGORT-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089639 1259308887 /nfs/dbraw/zinc/30/88/87/1259308887.db2.gz MNBHHYAAEUGORT-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001129093715 1259310344 /nfs/dbraw/zinc/31/03/44/1259310344.db2.gz OYYQOAWWLJGBMT-CVEARBPZSA-N 2 1 362.478 0.285 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001129093715 1259310351 /nfs/dbraw/zinc/31/03/51/1259310351.db2.gz OYYQOAWWLJGBMT-CVEARBPZSA-N 2 1 362.478 0.285 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210266 1259345457 /nfs/dbraw/zinc/34/54/57/1259345457.db2.gz OOFZELGLEVPIFX-CVEARBPZSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219869 1259347872 /nfs/dbraw/zinc/34/78/72/1259347872.db2.gz LCRCRYSIDUALMW-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258381 1259357907 /nfs/dbraw/zinc/35/79/07/1259357907.db2.gz YAUPLJHBLNNMGC-IKGGRYGDSA-N 2 1 366.510 0.777 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276191 1259360941 /nfs/dbraw/zinc/36/09/41/1259360941.db2.gz AGZYXVBXPXVAFP-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276191 1259360943 /nfs/dbraw/zinc/36/09/43/1259360943.db2.gz AGZYXVBXPXVAFP-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276191 1259360955 /nfs/dbraw/zinc/36/09/55/1259360955.db2.gz AGZYXVBXPXVAFP-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267234 1259361631 /nfs/dbraw/zinc/36/16/31/1259361631.db2.gz ZVVMDUPGTVMYDL-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267234 1259361642 /nfs/dbraw/zinc/36/16/42/1259361642.db2.gz ZVVMDUPGTVMYDL-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129267234 1259361648 /nfs/dbraw/zinc/36/16/48/1259361648.db2.gz ZVVMDUPGTVMYDL-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001200537647 1259416541 /nfs/dbraw/zinc/41/65/41/1259416541.db2.gz SISQRJMDXKWDGZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001200547481 1259416862 /nfs/dbraw/zinc/41/68/62/1259416862.db2.gz NQHGNOHFNIYVKD-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555244 1259416951 /nfs/dbraw/zinc/41/69/51/1259416951.db2.gz PLFNVAHUWVVJLP-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707500 1259427363 /nfs/dbraw/zinc/42/73/63/1259427363.db2.gz WMKAZZNPCYMZPS-RYQLBKOJSA-N 2 1 358.486 0.658 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406472 1259491272 /nfs/dbraw/zinc/49/12/72/1259491272.db2.gz UOEAGSGEPQQAPB-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406472 1259491277 /nfs/dbraw/zinc/49/12/77/1259491277.db2.gz UOEAGSGEPQQAPB-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406472 1259491282 /nfs/dbraw/zinc/49/12/82/1259491282.db2.gz UOEAGSGEPQQAPB-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406472 1259491287 /nfs/dbraw/zinc/49/12/87/1259491287.db2.gz UOEAGSGEPQQAPB-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419244 1259498704 /nfs/dbraw/zinc/49/87/04/1259498704.db2.gz XRSJZLDWACIEMJ-ARFHVFGLSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212419244 1259498707 /nfs/dbraw/zinc/49/87/07/1259498707.db2.gz XRSJZLDWACIEMJ-ARFHVFGLSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212419244 1259498713 /nfs/dbraw/zinc/49/87/13/1259498713.db2.gz XRSJZLDWACIEMJ-ARFHVFGLSA-N 2 1 362.478 0.065 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC001331695322 1266266753 /nfs/dbraw/zinc/26/67/53/1266266753.db2.gz QSJGBJDGYXGPQX-ROUUACIJSA-N 2 1 373.501 0.892 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001331695322 1266266769 /nfs/dbraw/zinc/26/67/69/1266266769.db2.gz QSJGBJDGYXGPQX-ROUUACIJSA-N 2 1 373.501 0.892 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001331695322 1266266781 /nfs/dbraw/zinc/26/67/81/1266266781.db2.gz QSJGBJDGYXGPQX-ROUUACIJSA-N 2 1 373.501 0.892 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001331695322 1266266789 /nfs/dbraw/zinc/26/67/89/1266266789.db2.gz QSJGBJDGYXGPQX-ROUUACIJSA-N 2 1 373.501 0.892 20 0 FCADMP O=C(C1CC[NH+](Cc2ccccc2N2CC[NH2+]CC2)CC1)N1CCNCC1 ZINC001235299663 1259569885 /nfs/dbraw/zinc/56/98/85/1259569885.db2.gz LEXKQPZHDKBVKJ-UHFFFAOYSA-N 2 1 371.529 0.740 20 0 FCADMP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C[C@@H]3CNC(C)(C)O3)CC[C@@H]21 ZINC001235624943 1259581380 /nfs/dbraw/zinc/58/13/80/1259581380.db2.gz OKXPAYCNGREFHD-OWSLCNJRSA-N 2 1 361.490 0.919 20 0 FCADMP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C[C@@H]3CNC(C)(C)O3)CC[C@@H]21 ZINC001235624943 1259581389 /nfs/dbraw/zinc/58/13/89/1259581389.db2.gz OKXPAYCNGREFHD-OWSLCNJRSA-N 2 1 361.490 0.919 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)nn1C ZINC001236035308 1259587688 /nfs/dbraw/zinc/58/76/88/1259587688.db2.gz BBUTWKPSZACPCH-KEIZMWOVSA-N 2 1 362.430 0.037 20 0 FCADMP c1nn(CC[NH+]2CCOCC2)cc1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001240541438 1259627597 /nfs/dbraw/zinc/62/75/97/1259627597.db2.gz PSRBHHJQCUXVRQ-UHFFFAOYSA-N 2 1 358.446 0.803 20 0 FCADMP O[C@H](C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036358 1259646679 /nfs/dbraw/zinc/64/66/79/1259646679.db2.gz QHIOKGFWIISLAW-XUVXKRRUSA-N 3 1 359.514 0.931 20 0 FCADMP O[C@H](CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036358 1259646687 /nfs/dbraw/zinc/64/66/87/1259646687.db2.gz QHIOKGFWIISLAW-XUVXKRRUSA-N 2 1 359.514 0.931 20 0 FCADMP O[C@@H](C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036322 1259647175 /nfs/dbraw/zinc/64/71/75/1259647175.db2.gz QHIOKGFWIISLAW-AQNXPRMDSA-N 3 1 359.514 0.931 20 0 FCADMP O[C@@H](CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036322 1259647185 /nfs/dbraw/zinc/64/71/85/1259647185.db2.gz QHIOKGFWIISLAW-AQNXPRMDSA-N 2 1 359.514 0.931 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@]4(C3)C[NH2+]CCOC4)C[C@H](C1)N2 ZINC001246147307 1259648085 /nfs/dbraw/zinc/64/80/85/1259648085.db2.gz XOPQFYHVKARHLE-IMBNWFMCSA-N 2 1 367.490 0.043 20 0 FCADMP O=c1ccc2c(n1CCN1CCOCC1)CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246157487 1259649387 /nfs/dbraw/zinc/64/93/87/1259649387.db2.gz OUTPXLPTWCTOAS-ZWKOTPCHSA-N 2 1 360.502 0.379 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CN1 ZINC001246485402 1259654922 /nfs/dbraw/zinc/65/49/22/1259654922.db2.gz KSCLCBVGPWVALJ-ZACQAIPSSA-N 2 1 363.458 0.721 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246582210 1259657093 /nfs/dbraw/zinc/65/70/93/1259657093.db2.gz VFNDEXJQHZVZLZ-VVLHAWIVSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246582210 1259657102 /nfs/dbraw/zinc/65/71/02/1259657102.db2.gz VFNDEXJQHZVZLZ-VVLHAWIVSA-N 2 1 361.442 0.084 20 0 FCADMP O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCCO1 ZINC001246691468 1259662652 /nfs/dbraw/zinc/66/26/52/1259662652.db2.gz XSFJZAFXNJGJNB-YLFCFFPRSA-N 2 1 364.490 0.114 20 0 FCADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705039 1259664768 /nfs/dbraw/zinc/66/47/68/1259664768.db2.gz VRMXGKXZOBJAQX-CVEARBPZSA-N 3 1 360.506 0.232 20 0 FCADMP CC(C)C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452940 1259668521 /nfs/dbraw/zinc/66/85/21/1259668521.db2.gz RDNPMEAZZFBAQO-BZSNNMDCSA-N 2 1 354.539 0.608 20 0 FCADMP CC(C)C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452940 1259668531 /nfs/dbraw/zinc/66/85/31/1259668531.db2.gz RDNPMEAZZFBAQO-BZSNNMDCSA-N 2 1 354.539 0.608 20 0 FCADMP c1cnn(C[C@@H]2CC[C@]3(COCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726761 1259669786 /nfs/dbraw/zinc/66/97/86/1259669786.db2.gz TZFZNDSWBGJADR-AOIWGVFYSA-N 2 1 361.490 0.227 20 0 FCADMP O=C([C@H]1Cn2nccc2C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724841 1259670807 /nfs/dbraw/zinc/67/08/07/1259670807.db2.gz ZHFZMKNCFLGZPC-CVEARBPZSA-N 2 1 358.490 0.031 20 0 FCADMP O=C([C@H]1Cn2nccc2C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724841 1259670813 /nfs/dbraw/zinc/67/08/13/1259670813.db2.gz ZHFZMKNCFLGZPC-CVEARBPZSA-N 2 1 358.490 0.031 20 0 FCADMP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246736030 1259672364 /nfs/dbraw/zinc/67/23/64/1259672364.db2.gz VGIBUQOHBGXOHG-UHFFFAOYSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@H+](C1CC[NH2+]CC1)CC2 ZINC001246736030 1259672369 /nfs/dbraw/zinc/67/23/69/1259672369.db2.gz VGIBUQOHBGXOHG-UHFFFAOYSA-N 2 1 374.485 0.857 20 0 FCADMP Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754510 1259681522 /nfs/dbraw/zinc/68/15/22/1259681522.db2.gz QXUQWAJYZMHQFR-BSWAZPDLSA-N 2 1 362.449 0.925 20 0 FCADMP Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754510 1259681531 /nfs/dbraw/zinc/68/15/31/1259681531.db2.gz QXUQWAJYZMHQFR-BSWAZPDLSA-N 2 1 362.449 0.925 20 0 FCADMP O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756627 1259682592 /nfs/dbraw/zinc/68/25/92/1259682592.db2.gz VUQAABTVRSXUED-ZIFCJYIRSA-N 2 1 355.486 0.504 20 0 FCADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756784 1259682668 /nfs/dbraw/zinc/68/26/68/1259682668.db2.gz XSPMYXCQRKEAGR-NBZXXOOGSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756784 1259682674 /nfs/dbraw/zinc/68/26/74/1259682674.db2.gz XSPMYXCQRKEAGR-NBZXXOOGSA-N 2 1 361.490 0.627 20 0 FCADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246778994 1259689414 /nfs/dbraw/zinc/68/94/14/1259689414.db2.gz RHCKXVJRAHKFMB-KRWDZBQOSA-N 3 1 372.517 0.139 20 0 FCADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246778994 1259689422 /nfs/dbraw/zinc/68/94/22/1259689422.db2.gz RHCKXVJRAHKFMB-KRWDZBQOSA-N 2 1 372.517 0.139 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335505558 1259689453 /nfs/dbraw/zinc/68/94/53/1259689453.db2.gz KGYDYHZSFPERSY-GDBMZVCRSA-N 2 1 354.470 0.431 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335505558 1259689460 /nfs/dbraw/zinc/68/94/60/1259689460.db2.gz KGYDYHZSFPERSY-GDBMZVCRSA-N 2 1 354.470 0.431 20 0 FCADMP CCN(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335520627 1259695816 /nfs/dbraw/zinc/69/58/16/1259695816.db2.gz HUNARPMKMNDWFS-BMFZPTHFSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246918904 1259696273 /nfs/dbraw/zinc/69/62/73/1259696273.db2.gz YLVLZCZLNYBNLC-ZIAGYGMSSA-N 2 1 362.478 0.416 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246918904 1259696283 /nfs/dbraw/zinc/69/62/83/1259696283.db2.gz YLVLZCZLNYBNLC-ZIAGYGMSSA-N 2 1 362.478 0.416 20 0 FCADMP O=C1CC2(C[NH2+]C2)[C@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)N1 ZINC001247869565 1259707791 /nfs/dbraw/zinc/70/77/91/1259707791.db2.gz SZALZNAKHQUNQG-INIZCTEOSA-N 2 1 369.425 0.719 20 0 FCADMP Cn1c(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cccc1=O ZINC001248806974 1259716744 /nfs/dbraw/zinc/71/67/44/1259716744.db2.gz AQNOKRIQCCAHEB-UHFFFAOYSA-N 2 1 368.485 0.528 20 0 FCADMP Cn1c(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cccc1=O ZINC001248806974 1259716752 /nfs/dbraw/zinc/71/67/52/1259716752.db2.gz AQNOKRIQCCAHEB-UHFFFAOYSA-N 2 1 368.485 0.528 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016577 1259731223 /nfs/dbraw/zinc/73/12/23/1259731223.db2.gz XVLQBACUJVUOFT-AABGKKOBSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016577 1259731232 /nfs/dbraw/zinc/73/12/32/1259731232.db2.gz XVLQBACUJVUOFT-AABGKKOBSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251016577 1259731239 /nfs/dbraw/zinc/73/12/39/1259731239.db2.gz XVLQBACUJVUOFT-AABGKKOBSA-N 2 1 367.534 0.360 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001251758966 1259758494 /nfs/dbraw/zinc/75/84/94/1259758494.db2.gz GNHPYCBVTXENRU-UHFFFAOYSA-N 2 1 368.522 0.851 20 0 FCADMP CCOC[C@H](O)C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001252025619 1259774754 /nfs/dbraw/zinc/77/47/54/1259774754.db2.gz VYZGIOIYBYXWRC-MRXNPFEDSA-N 2 1 367.494 0.494 20 0 FCADMP CCOC[C@H](O)C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001252025619 1259774761 /nfs/dbraw/zinc/77/47/61/1259774761.db2.gz VYZGIOIYBYXWRC-MRXNPFEDSA-N 2 1 367.494 0.494 20 0 FCADMP COc1ccc(OC[C@H](O)C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001252718275 1259805567 /nfs/dbraw/zinc/80/55/67/1259805567.db2.gz PFAQFDHHVQZURJ-MRXNPFEDSA-N 2 1 365.474 0.531 20 0 FCADMP COCC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252949361 1259812404 /nfs/dbraw/zinc/81/24/04/1259812404.db2.gz KSLJANSPUZOOOV-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252949361 1259812414 /nfs/dbraw/zinc/81/24/14/1259812414.db2.gz KSLJANSPUZOOOV-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184609 1259827448 /nfs/dbraw/zinc/82/74/48/1259827448.db2.gz HEQYGRDXUPKTKT-QFBILLFUSA-N 2 1 368.522 0.092 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253184479 1259827663 /nfs/dbraw/zinc/82/76/63/1259827663.db2.gz GCXIIRRWWJEOPA-ZJPYXAASSA-N 2 1 369.506 0.580 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253184479 1259827684 /nfs/dbraw/zinc/82/76/84/1259827684.db2.gz GCXIIRRWWJEOPA-ZJPYXAASSA-N 2 1 369.506 0.580 20 0 FCADMP CC(=O)N1CCC([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001254425576 1259883371 /nfs/dbraw/zinc/88/33/71/1259883371.db2.gz IOMMEOOONWVRCP-SJLPKXTDSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)N1CCC([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001254425576 1259883377 /nfs/dbraw/zinc/88/33/77/1259883377.db2.gz IOMMEOOONWVRCP-SJLPKXTDSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CC=CC3)cc2)CC1 ZINC001255512885 1259918289 /nfs/dbraw/zinc/91/82/89/1259918289.db2.gz JHTKZBIUPXQSOS-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN(CC[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256495147 1259953352 /nfs/dbraw/zinc/95/33/52/1259953352.db2.gz SCVZYIPOIVQQCX-GJZGRUSLSA-N 2 1 370.494 0.504 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCO)CCN1C(=O)OC(C)(C)C ZINC001256507968 1259953997 /nfs/dbraw/zinc/95/39/97/1259953997.db2.gz ZYDXPSPWAKBFNS-GJZGRUSLSA-N 2 1 373.494 0.831 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862313 1259975823 /nfs/dbraw/zinc/97/58/23/1259975823.db2.gz CDKBGQGIZLRELZ-OALUTQOASA-N 2 1 372.513 0.972 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CC[NH+](CC(C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001258020443 1260032973 /nfs/dbraw/zinc/03/29/73/1260032973.db2.gz TXPLTJORSQOHGH-SFHVURJKSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H]1C[NH+](CCc2nnc(CC[NH+]3CCC(C(N)=O)CC3)o2)C[C@H](C)O1 ZINC001258072923 1260034109 /nfs/dbraw/zinc/03/41/09/1260034109.db2.gz WMBQXUKVTLAKMU-KBPBESRZSA-N 2 1 365.478 0.461 20 0 FCADMP COC(=O)CC[C@@H](C)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001258373216 1260047545 /nfs/dbraw/zinc/04/75/45/1260047545.db2.gz VIRZPWRKFPRXNC-MRXNPFEDSA-N 2 1 369.506 0.831 20 0 FCADMP COC(=O)CC[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001258373216 1260047551 /nfs/dbraw/zinc/04/75/51/1260047551.db2.gz VIRZPWRKFPRXNC-MRXNPFEDSA-N 2 1 369.506 0.831 20 0 FCADMP CCC[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001258773330 1260056604 /nfs/dbraw/zinc/05/66/04/1260056604.db2.gz HZVDGBATDORJTF-KBAYOESNSA-N 2 1 359.474 0.780 20 0 FCADMP CCC[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001258773330 1260056611 /nfs/dbraw/zinc/05/66/11/1260056611.db2.gz HZVDGBATDORJTF-KBAYOESNSA-N 2 1 359.474 0.780 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270984 1260063619 /nfs/dbraw/zinc/06/36/19/1260063619.db2.gz IBAUGCVIAWQKGH-ZSZQSSIHSA-N 2 1 360.458 0.608 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC001331973669 1266311908 /nfs/dbraw/zinc/31/19/08/1266311908.db2.gz QQWHSJOQMVVDMR-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001331973669 1266311919 /nfs/dbraw/zinc/31/19/19/1266311919.db2.gz QQWHSJOQMVVDMR-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001331973669 1266311931 /nfs/dbraw/zinc/31/19/31/1266311931.db2.gz QQWHSJOQMVVDMR-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC001336801849 1260225611 /nfs/dbraw/zinc/22/56/11/1260225611.db2.gz ZUVLDEFNBWQUCW-RCCFBDPRSA-N 2 1 369.531 0.787 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC001336801849 1260225615 /nfs/dbraw/zinc/22/56/15/1260225615.db2.gz ZUVLDEFNBWQUCW-RCCFBDPRSA-N 2 1 369.531 0.787 20 0 FCADMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cn1 ZINC001336833273 1260233921 /nfs/dbraw/zinc/23/39/21/1260233921.db2.gz GNPOJVXIEKWVCZ-CYBMUJFWSA-N 2 1 371.279 0.620 20 0 FCADMP COC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC001336869129 1260241345 /nfs/dbraw/zinc/24/13/45/1260241345.db2.gz XRLDQJXRVNVRSB-MHORFTMASA-N 2 1 366.506 0.791 20 0 FCADMP CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336893026 1260246967 /nfs/dbraw/zinc/24/69/67/1260246967.db2.gz DIWUEIMLIAXYPL-NRSFXHEJSA-N 2 1 366.506 0.648 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262095514 1260260209 /nfs/dbraw/zinc/26/02/09/1260260209.db2.gz VQXWALIIKZNGAJ-RCCFBDPRSA-N 2 1 367.538 0.470 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC001336948760 1260265049 /nfs/dbraw/zinc/26/50/49/1260265049.db2.gz XEWMLBYNXUORIX-CGTJXYLNSA-N 2 1 372.469 0.331 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC001336948760 1260265056 /nfs/dbraw/zinc/26/50/56/1260265056.db2.gz XEWMLBYNXUORIX-CGTJXYLNSA-N 2 1 372.469 0.331 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001336964546 1260270416 /nfs/dbraw/zinc/27/04/16/1260270416.db2.gz IURLNCIWRHNWJN-JKSUJKDBSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001336966253 1260270959 /nfs/dbraw/zinc/27/09/59/1260270959.db2.gz WLTAUAAIBIWFGG-RDJZCZTQSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001262574698 1260329574 /nfs/dbraw/zinc/32/95/74/1260329574.db2.gz YLGCSOAYEKTRIS-IRXDYDNUSA-N 2 1 360.506 0.972 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001337349846 1260376681 /nfs/dbraw/zinc/37/66/81/1260376681.db2.gz WXPRJQJYCPYJDL-UHFFFAOYSA-N 2 1 353.507 0.698 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001337359139 1260378356 /nfs/dbraw/zinc/37/83/56/1260378356.db2.gz UJIUWDLYGIKHKI-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)c1nnnn1C ZINC001264558522 1260380572 /nfs/dbraw/zinc/38/05/72/1260380572.db2.gz RZTUKAJDIDQLMQ-ILXRZTDVSA-N 2 1 363.510 0.830 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266183465 1260424033 /nfs/dbraw/zinc/42/40/33/1260424033.db2.gz FTQRLGURVOPFKK-NVXWUHKLSA-N 2 1 367.538 0.957 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001272744461 1260496356 /nfs/dbraw/zinc/49/63/56/1260496356.db2.gz GHNHYWSHXOWPFD-DLBZAZTESA-N 2 1 360.502 0.626 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC001337878196 1260508226 /nfs/dbraw/zinc/50/82/26/1260508226.db2.gz TVRQVKKTXSLICN-JCNLHEQBSA-N 2 1 359.474 0.611 20 0 FCADMP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCCN3C)n2C)CC1 ZINC001338152700 1260573558 /nfs/dbraw/zinc/57/35/58/1260573558.db2.gz KJLZMBUBMYAMDB-OAHLLOKOSA-N 2 1 352.483 0.365 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273253923 1260636408 /nfs/dbraw/zinc/63/64/08/1260636408.db2.gz HEBQJIIIWJHXDI-OKZBNKHCSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273253923 1260636415 /nfs/dbraw/zinc/63/64/15/1260636415.db2.gz HEBQJIIIWJHXDI-OKZBNKHCSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273253923 1260636426 /nfs/dbraw/zinc/63/64/26/1260636426.db2.gz HEBQJIIIWJHXDI-OKZBNKHCSA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273257325 1260639715 /nfs/dbraw/zinc/63/97/15/1260639715.db2.gz ZPWFQKUEYPUCTH-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)[C@@H]4CCC[N@@H+](C)C4)(C2)C3)CC1 ZINC001273272352 1260643852 /nfs/dbraw/zinc/64/38/52/1260643852.db2.gz HFLMKYRAWWEPJE-APMMTJHUSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCN1CCC12C[NH+](C[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 ZINC001278184679 1260686485 /nfs/dbraw/zinc/68/64/85/1260686485.db2.gz XUPORXHYQOKIPK-MRXNPFEDSA-N 2 1 368.522 0.944 20 0 FCADMP CCOC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001278210817 1260687576 /nfs/dbraw/zinc/68/75/76/1260687576.db2.gz HIHOUWCQVDMUMH-IAGOWNOFSA-N 2 1 366.550 0.876 20 0 FCADMP Cc1nccnc1C[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279336450 1260842643 /nfs/dbraw/zinc/84/26/43/1260842643.db2.gz CTJLPJZUHGAWLG-LJQANCHMSA-N 2 1 360.506 0.503 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279336450 1260842649 /nfs/dbraw/zinc/84/26/49/1260842649.db2.gz CTJLPJZUHGAWLG-LJQANCHMSA-N 2 1 360.506 0.503 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251748 1266366875 /nfs/dbraw/zinc/36/68/75/1266366875.db2.gz GGSGTTFQIBLWPM-CRAIPNDOSA-N 2 1 358.486 0.665 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCCO4)CC3)[C@@H]2C1 ZINC001279473626 1260876250 /nfs/dbraw/zinc/87/62/50/1260876250.db2.gz ASRMQMJBDWBCJN-KZNAEPCWSA-N 2 1 364.534 0.630 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCCO4)CC3)[C@H]2C1 ZINC001279473628 1260876905 /nfs/dbraw/zinc/87/69/05/1260876905.db2.gz ASRMQMJBDWBCJN-SQNIBIBYSA-N 2 1 364.534 0.630 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[N@H+](C[C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001279502252 1260881354 /nfs/dbraw/zinc/88/13/54/1260881354.db2.gz PDJGMFPAURMNBD-XYJFISCASA-N 2 1 358.486 0.873 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001279502252 1260881357 /nfs/dbraw/zinc/88/13/57/1260881357.db2.gz PDJGMFPAURMNBD-XYJFISCASA-N 2 1 358.486 0.873 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[NH+](C[C@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001279502252 1260881361 /nfs/dbraw/zinc/88/13/61/1260881361.db2.gz PDJGMFPAURMNBD-XYJFISCASA-N 2 1 358.486 0.873 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1C[C@@H]2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001279502252 1260881367 /nfs/dbraw/zinc/88/13/67/1260881367.db2.gz PDJGMFPAURMNBD-XYJFISCASA-N 2 1 358.486 0.873 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ncccc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001279559377 1260892731 /nfs/dbraw/zinc/89/27/31/1260892731.db2.gz QCJCUCFPGGKZSN-IBGZPJMESA-N 2 1 361.490 0.505 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001279570093 1260894496 /nfs/dbraw/zinc/89/44/96/1260894496.db2.gz SCRJHPOGUZULBC-IBGZPJMESA-N 2 1 361.490 0.505 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CC[NH2+]CC4)CC3)[C@@H]2C1 ZINC001279614828 1260898955 /nfs/dbraw/zinc/89/89/55/1260898955.db2.gz FYRKCAUMKQYBDU-QZTJIDSGSA-N 3 1 363.550 0.060 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618199 1260900706 /nfs/dbraw/zinc/90/07/06/1260900706.db2.gz UIHFRJJQXYMIEE-INDMIFKZSA-N 2 1 363.502 0.809 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cnccn4)CC3)[C@@H]2C1 ZINC001279623936 1260903609 /nfs/dbraw/zinc/90/36/09/1260903609.db2.gz GLYSPBHDUZOZQR-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cnccn4)CC3)[C@@H]2C1 ZINC001279623936 1260903615 /nfs/dbraw/zinc/90/36/15/1260903615.db2.gz GLYSPBHDUZOZQR-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP COCC[N@H+]1C[C@H]2C[C@@H](CC(=O)Nc3cnn(CC[NH+](C)C)c3)O[C@H]2C1 ZINC001279720658 1260920826 /nfs/dbraw/zinc/92/08/26/1260920826.db2.gz FVCQPGODJNLVBF-PVAVHDDUSA-N 2 1 365.478 0.509 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2[C@H]3CC[C@@H]2C[N@@H+](Cc2nccnc2N)C3)CC1 ZINC001279870520 1260947815 /nfs/dbraw/zinc/94/78/15/1260947815.db2.gz INHUSECQQUMKSR-XOIINTDNSA-N 2 1 358.490 0.727 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](C[C@H]2CCC(=O)N2)C3)CC1 ZINC001279900676 1260956398 /nfs/dbraw/zinc/95/63/98/1260956398.db2.gz UWALNMRIASGWAF-UWVAXJGDSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001280076006 1260992222 /nfs/dbraw/zinc/99/22/22/1260992222.db2.gz VLXKWQTVRMDLAB-IAGOWNOFSA-N 2 1 362.518 0.920 20 0 FCADMP COCCC[N@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001280096606 1261000941 /nfs/dbraw/zinc/00/09/41/1261000941.db2.gz PSEIRNDUDTVCRA-CQSZACIVSA-N 2 1 364.494 0.385 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C(=O)NCC3COC3)n3nccc3C2)CC1 ZINC001280125424 1261010783 /nfs/dbraw/zinc/01/07/83/1261010783.db2.gz IRERZCCFDWUIRY-GOSISDBHSA-N 2 1 361.490 0.734 20 0 FCADMP CN(C)C(=O)CNC(=O)C[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126288 1261011925 /nfs/dbraw/zinc/01/19/25/1261011925.db2.gz WDZJIGVXCPHAFC-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H]1Cc2nnc(C(=O)N3CCCCO3)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001280134289 1261012578 /nfs/dbraw/zinc/01/25/78/1261012578.db2.gz BXHDPGPJMZJNRC-AWEZNQCLSA-N 2 1 362.478 0.692 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001280189504 1261026164 /nfs/dbraw/zinc/02/61/64/1261026164.db2.gz VDWLBUSTOOOGMH-FVQBIDKESA-N 2 1 360.458 0.180 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213804 1261035183 /nfs/dbraw/zinc/03/51/83/1261035183.db2.gz SDGQJVONQIAVPB-XMTFNYHQSA-N 2 1 362.518 0.905 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280220382 1261038873 /nfs/dbraw/zinc/03/88/73/1261038873.db2.gz BIGUGJMYLUNXNH-ALXJQNPVSA-N 2 1 362.522 0.903 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H]2CN(CC[NH+](C)C)C3)cn1 ZINC001280220382 1261038879 /nfs/dbraw/zinc/03/88/79/1261038879.db2.gz BIGUGJMYLUNXNH-ALXJQNPVSA-N 2 1 362.522 0.903 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@H](C(=O)Nc2nnnn2C)O3)CC1 ZINC001280248166 1261042202 /nfs/dbraw/zinc/04/22/02/1261042202.db2.gz GAYHKLCJAIUVOE-CQSZACIVSA-N 2 1 363.466 0.114 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CCCCCC(N)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001280280045 1261045918 /nfs/dbraw/zinc/04/59/18/1261045918.db2.gz HSTHIIRGHQATRM-LJQANCHMSA-N 2 1 367.538 0.250 20 0 FCADMP CN1CCN(C(=O)N2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)CC1 ZINC001280302333 1261052497 /nfs/dbraw/zinc/05/24/97/1261052497.db2.gz JSMXHCYGTXPFQK-HDICACEKSA-N 2 1 360.506 0.894 20 0 FCADMP C[NH+]1CCN(C(=O)N2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)CC1 ZINC001280302333 1261052499 /nfs/dbraw/zinc/05/24/99/1261052499.db2.gz JSMXHCYGTXPFQK-HDICACEKSA-N 2 1 360.506 0.894 20 0 FCADMP C[NH+]1CCN(C(=O)N2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)CC1 ZINC001280302333 1261052504 /nfs/dbraw/zinc/05/25/04/1261052504.db2.gz JSMXHCYGTXPFQK-HDICACEKSA-N 2 1 360.506 0.894 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001281862126 1261241404 /nfs/dbraw/zinc/24/14/04/1261241404.db2.gz JRRZQAXOLUZGRQ-ARFHVFGLSA-N 2 1 368.522 0.258 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001281862126 1261241410 /nfs/dbraw/zinc/24/14/10/1261241410.db2.gz JRRZQAXOLUZGRQ-ARFHVFGLSA-N 2 1 368.522 0.258 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001281862126 1261241412 /nfs/dbraw/zinc/24/14/12/1261241412.db2.gz JRRZQAXOLUZGRQ-ARFHVFGLSA-N 2 1 368.522 0.258 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533796 1261472948 /nfs/dbraw/zinc/47/29/48/1261472948.db2.gz BKYGIDMPBVNDBL-SJLPKXTDSA-N 2 1 371.485 0.673 20 0 FCADMP O=C(C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)N1CC[NH2+]CC1 ZINC001332520203 1266422464 /nfs/dbraw/zinc/42/24/64/1266422464.db2.gz PXQPTOUKOQNVOJ-UHFFFAOYSA-N 2 1 356.430 0.743 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580320919 1278121406 /nfs/dbraw/zinc/12/14/06/1278121406.db2.gz NYLJHFYOOWESSL-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580320846 1278121659 /nfs/dbraw/zinc/12/16/59/1278121659.db2.gz LENKJIKKQCTATF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001580331079 1278130625 /nfs/dbraw/zinc/13/06/25/1278130625.db2.gz ANPRFBHXEWPXGO-ULQDDVLXSA-N 2 1 359.536 0.878 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC[NH+]1CCOCC1 ZINC001292005627 1262628854 /nfs/dbraw/zinc/62/88/54/1262628854.db2.gz ZZLXMWOIPOALRF-KRWDZBQOSA-N 2 1 369.506 0.975 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC[NH+]1CCOCC1 ZINC001292005627 1262628857 /nfs/dbraw/zinc/62/88/57/1262628857.db2.gz ZZLXMWOIPOALRF-KRWDZBQOSA-N 2 1 369.506 0.975 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(NC3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208990 1263136313 /nfs/dbraw/zinc/13/63/13/1263136313.db2.gz RVLGOHLULFGGAJ-ZWKOTPCHSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208990 1263136317 /nfs/dbraw/zinc/13/63/17/1263136317.db2.gz RVLGOHLULFGGAJ-ZWKOTPCHSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208990 1263136318 /nfs/dbraw/zinc/13/63/18/1263136318.db2.gz RVLGOHLULFGGAJ-ZWKOTPCHSA-N 2 1 361.490 0.433 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374285 1278185292 /nfs/dbraw/zinc/18/52/92/1278185292.db2.gz AOBZEFQGKJKOLL-KMFMINBZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374285 1278185298 /nfs/dbraw/zinc/18/52/98/1278185298.db2.gz AOBZEFQGKJKOLL-KMFMINBZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374285 1278185300 /nfs/dbraw/zinc/18/53/00/1278185300.db2.gz AOBZEFQGKJKOLL-KMFMINBZSA-N 2 1 369.473 0.897 20 0 FCADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304849593 1263152418 /nfs/dbraw/zinc/15/24/18/1263152418.db2.gz DSRNCRMCTGGAPP-GOEBONIOSA-N 2 1 363.510 0.279 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001479295601 1263183127 /nfs/dbraw/zinc/18/31/27/1263183127.db2.gz QCRDZZSLTZPIAC-OVYGPGRDSA-N 2 1 352.523 0.972 20 0 FCADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001483769672 1263444966 /nfs/dbraw/zinc/44/49/66/1263444966.db2.gz AVAXHJSNFXVLFZ-SJORKVTESA-N 2 1 358.486 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001580385253 1278202200 /nfs/dbraw/zinc/20/22/00/1278202200.db2.gz ALZGHXVIGOBIAR-TZMCWYRMSA-N 2 1 370.461 0.427 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318661784 1263597597 /nfs/dbraw/zinc/59/75/97/1263597597.db2.gz OZLQHSZCENPHHU-MSOLQXFVSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318661784 1263597601 /nfs/dbraw/zinc/59/76/01/1263597601.db2.gz OZLQHSZCENPHHU-MSOLQXFVSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318661784 1263597607 /nfs/dbraw/zinc/59/76/07/1263597607.db2.gz OZLQHSZCENPHHU-MSOLQXFVSA-N 2 1 365.522 0.273 20 0 FCADMP C[NH+]1CCN(c2ccccc2CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC001319601399 1263713246 /nfs/dbraw/zinc/71/32/46/1263713246.db2.gz KMCIAAHYNNNRLR-LJQANCHMSA-N 2 1 357.502 0.445 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580387665 1278210541 /nfs/dbraw/zinc/21/05/41/1278210541.db2.gz ASXCUEWSYHKDQT-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001580387665 1278210548 /nfs/dbraw/zinc/21/05/48/1278210548.db2.gz ASXCUEWSYHKDQT-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001495160898 1263800493 /nfs/dbraw/zinc/80/04/93/1263800493.db2.gz NVSCNDYBAOJNKZ-MGPQQGTHSA-N 2 1 367.494 0.189 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001495454718 1263819946 /nfs/dbraw/zinc/81/99/46/1263819946.db2.gz AHYCDGSQLAEYHD-KCYZZUKISA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001580387665 1278210553 /nfs/dbraw/zinc/21/05/53/1278210553.db2.gz ASXCUEWSYHKDQT-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC001496708417 1263890738 /nfs/dbraw/zinc/89/07/38/1263890738.db2.gz ZLHCZECZRRZRCZ-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1C ZINC001496708417 1263890749 /nfs/dbraw/zinc/89/07/49/1263890749.db2.gz ZLHCZECZRRZRCZ-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N2CCC[C@@H](C)C2)CC[NH+]1C ZINC001496708417 1263890761 /nfs/dbraw/zinc/89/07/61/1263890761.db2.gz ZLHCZECZRRZRCZ-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N2CCC[C@@H](C)C2)CC[NH+]1C ZINC001496708417 1263890774 /nfs/dbraw/zinc/89/07/74/1263890774.db2.gz ZLHCZECZRRZRCZ-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)n2)CC1 ZINC001321082126 1263904035 /nfs/dbraw/zinc/90/40/35/1263904035.db2.gz YAXSXHFBLLMWCZ-GOEBONIOSA-N 2 1 374.489 0.831 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC001321410973 1263955603 /nfs/dbraw/zinc/95/56/03/1263955603.db2.gz WKVMKNYOODSPLE-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC001321507226 1263978227 /nfs/dbraw/zinc/97/82/27/1263978227.db2.gz CILCYOAZDNYJHS-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC001321507226 1263978232 /nfs/dbraw/zinc/97/82/32/1263978232.db2.gz CILCYOAZDNYJHS-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001321695214 1264036417 /nfs/dbraw/zinc/03/64/17/1264036417.db2.gz FVYGBHJFBYTFPV-UHFFFAOYSA-N 2 1 367.538 0.472 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001321772612 1264056771 /nfs/dbraw/zinc/05/67/71/1264056771.db2.gz PNKQLATUFADVEW-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001502871065 1264183105 /nfs/dbraw/zinc/18/31/05/1264183105.db2.gz YCJUXQQMBMWRMY-BZUAXINKSA-N 2 1 361.490 0.821 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3ccns3)CC2)CC[N@H+]1C ZINC001502870202 1264183195 /nfs/dbraw/zinc/18/31/95/1264183195.db2.gz HDGXSWTUYHXBPP-UKRRQHHQSA-N 2 1 352.504 0.926 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322736164 1264252987 /nfs/dbraw/zinc/25/29/87/1264252987.db2.gz VYMBMMVAZNAGMM-SFHVURJKSA-N 2 1 374.533 0.483 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506099984 1264292887 /nfs/dbraw/zinc/29/28/87/1264292887.db2.gz BJIBFGNRJNZZHS-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506099984 1264292891 /nfs/dbraw/zinc/29/28/91/1264292891.db2.gz BJIBFGNRJNZZHS-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506099984 1264292899 /nfs/dbraw/zinc/29/28/99/1264292899.db2.gz BJIBFGNRJNZZHS-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[nH+]c1 ZINC001323010314 1264315720 /nfs/dbraw/zinc/31/57/20/1264315720.db2.gz AUCJVVHZJRBOOE-MRXNPFEDSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC001323010314 1264315725 /nfs/dbraw/zinc/31/57/25/1264315725.db2.gz AUCJVVHZJRBOOE-MRXNPFEDSA-N 2 1 359.474 0.909 20 0 FCADMP COC(=O)c1cnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC001323577497 1264460725 /nfs/dbraw/zinc/46/07/25/1264460725.db2.gz CSKGGCCLNTYSBQ-AWEZNQCLSA-N 2 1 361.446 0.504 20 0 FCADMP COC(=O)c1cnc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC001323577497 1264460732 /nfs/dbraw/zinc/46/07/32/1264460732.db2.gz CSKGGCCLNTYSBQ-AWEZNQCLSA-N 2 1 361.446 0.504 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001324269368 1264607584 /nfs/dbraw/zinc/60/75/84/1264607584.db2.gz ZRJHGXGKFVWBLF-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001512827934 1264679215 /nfs/dbraw/zinc/67/92/15/1264679215.db2.gz GPHHBQUKKIXRBW-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001512827934 1264679226 /nfs/dbraw/zinc/67/92/26/1264679226.db2.gz GPHHBQUKKIXRBW-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001512827934 1264679234 /nfs/dbraw/zinc/67/92/34/1264679234.db2.gz GPHHBQUKKIXRBW-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001512827934 1264679248 /nfs/dbraw/zinc/67/92/48/1264679248.db2.gz GPHHBQUKKIXRBW-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001512855498 1264696787 /nfs/dbraw/zinc/69/67/87/1264696787.db2.gz TWDHFTMAJMLNAS-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001512855498 1264696800 /nfs/dbraw/zinc/69/68/00/1264696800.db2.gz TWDHFTMAJMLNAS-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001512855498 1264696813 /nfs/dbraw/zinc/69/68/13/1264696813.db2.gz TWDHFTMAJMLNAS-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001325072212 1264768143 /nfs/dbraw/zinc/76/81/43/1264768143.db2.gz ONYJRBFFFIGWNV-UHFFFAOYSA-N 2 1 359.474 0.673 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001325495115 1264908640 /nfs/dbraw/zinc/90/86/40/1264908640.db2.gz SVBORYIAQOTAFB-LJQANCHMSA-N 2 1 360.458 0.404 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001580408512 1278246918 /nfs/dbraw/zinc/24/69/18/1278246918.db2.gz MXLVYCIYOVDRKW-CYBMUJFWSA-N 2 1 357.462 0.945 20 0 FCADMP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001326969987 1265211298 /nfs/dbraw/zinc/21/12/98/1265211298.db2.gz SKDZVKCJERAFGH-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)CC2)c1 ZINC001327124598 1265238666 /nfs/dbraw/zinc/23/86/66/1265238666.db2.gz LEEPBEVTGYUDAG-INIZCTEOSA-N 2 1 359.474 0.449 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001332702262 1266463848 /nfs/dbraw/zinc/46/38/48/1266463848.db2.gz APJOPZAIQQENFB-KXBFYZLASA-N 2 1 366.506 0.143 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001333403347 1266593378 /nfs/dbraw/zinc/59/33/78/1266593378.db2.gz CGFNPEXWBGSYKF-QKLQHJQFSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@H+]1C ZINC001523223044 1266614689 /nfs/dbraw/zinc/61/46/89/1266614689.db2.gz XKBHQHRNBNVAEZ-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001524624790 1266719752 /nfs/dbraw/zinc/71/97/52/1266719752.db2.gz FMMRYQWJAYECAN-WCXIOVBPSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@H](C)C1 ZINC001527878056 1266932505 /nfs/dbraw/zinc/93/25/05/1266932505.db2.gz LKAFRLTXSRQLOL-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@H](C)C1 ZINC001527878056 1266932510 /nfs/dbraw/zinc/93/25/10/1266932510.db2.gz LKAFRLTXSRQLOL-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC001527878056 1266932512 /nfs/dbraw/zinc/93/25/12/1266932512.db2.gz LKAFRLTXSRQLOL-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@H+]1CCC[C@H](C)C1 ZINC001527878056 1266932515 /nfs/dbraw/zinc/93/25/15/1266932515.db2.gz LKAFRLTXSRQLOL-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001543224373 1267532936 /nfs/dbraw/zinc/53/29/36/1267532936.db2.gz AGLGLXLWRGBJTE-PKOBYXMFSA-N 2 1 362.522 0.965 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001549140506 1267821975 /nfs/dbraw/zinc/82/19/75/1267821975.db2.gz ZXGCILHBXLVKIT-RDJZCZTQSA-N 2 1 366.506 0.014 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001549349871 1267903726 /nfs/dbraw/zinc/90/37/26/1267903726.db2.gz MOFIPWFFPZBGRW-BBWFWOEESA-N 2 1 366.506 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001549349871 1267903731 /nfs/dbraw/zinc/90/37/31/1267903731.db2.gz MOFIPWFFPZBGRW-BBWFWOEESA-N 2 1 366.506 0.650 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001549764333 1267997118 /nfs/dbraw/zinc/99/71/18/1267997118.db2.gz WUBQHSIYRFTAOE-DJIMGWMZSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001549764333 1267997124 /nfs/dbraw/zinc/99/71/24/1267997124.db2.gz WUBQHSIYRFTAOE-DJIMGWMZSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001549764333 1267997126 /nfs/dbraw/zinc/99/71/26/1267997126.db2.gz WUBQHSIYRFTAOE-DJIMGWMZSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001549764333 1267997134 /nfs/dbraw/zinc/99/71/34/1267997134.db2.gz WUBQHSIYRFTAOE-DJIMGWMZSA-N 2 1 361.490 0.807 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)C1 ZINC001549897050 1268014234 /nfs/dbraw/zinc/01/42/34/1268014234.db2.gz BYRXHTNYOLJJPJ-UKBAYJJMSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)C1 ZINC001549897050 1268014244 /nfs/dbraw/zinc/01/42/44/1268014244.db2.gz BYRXHTNYOLJJPJ-UKBAYJJMSA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)C1 ZINC001549897050 1268014260 /nfs/dbraw/zinc/01/42/60/1268014260.db2.gz BYRXHTNYOLJJPJ-UKBAYJJMSA-N 2 1 367.534 0.941 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)O1 ZINC001338684055 1268039928 /nfs/dbraw/zinc/03/99/28/1268039928.db2.gz PQHSJYCRBBTOPM-IXDOHACOSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)O1 ZINC001338684055 1268039941 /nfs/dbraw/zinc/03/99/41/1268039941.db2.gz PQHSJYCRBBTOPM-IXDOHACOSA-N 2 1 368.522 0.896 20 0 FCADMP C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC001550132281 1268080597 /nfs/dbraw/zinc/08/05/97/1268080597.db2.gz GBJIMHHSYFHBCO-PXNSSMCTSA-N 2 1 371.485 0.686 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001550284674 1268104300 /nfs/dbraw/zinc/10/43/00/1268104300.db2.gz VVWIFRBYGSXOSB-VQHPVUNQSA-N 2 1 368.522 0.942 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476621 1268124418 /nfs/dbraw/zinc/12/44/18/1268124418.db2.gz ALGLFBORZGCHRT-HTCPCDBNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476621 1268124420 /nfs/dbraw/zinc/12/44/20/1268124420.db2.gz ALGLFBORZGCHRT-HTCPCDBNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476621 1268124425 /nfs/dbraw/zinc/12/44/25/1268124425.db2.gz ALGLFBORZGCHRT-HTCPCDBNSA-N 2 1 351.491 0.446 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001550478239 1268124740 /nfs/dbraw/zinc/12/47/40/1268124740.db2.gz MHWSUPYCDPQBCJ-ZMMAXQRCSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001550480798 1268125958 /nfs/dbraw/zinc/12/59/58/1268125958.db2.gz QKYGIZUMFCYDLL-CBZIJGRNSA-N 2 1 350.463 0.946 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001550480798 1268125966 /nfs/dbraw/zinc/12/59/66/1268125966.db2.gz QKYGIZUMFCYDLL-CBZIJGRNSA-N 2 1 350.463 0.946 20 0 FCADMP COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001339016639 1268149966 /nfs/dbraw/zinc/14/99/66/1268149966.db2.gz OSLQHHZXINFFMZ-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)C[NH+]1CC[C@@H](C)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001339016639 1268149969 /nfs/dbraw/zinc/14/99/69/1268149969.db2.gz OSLQHHZXINFFMZ-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)C[NH+]1CC[C@@H](C)C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001339016639 1268149972 /nfs/dbraw/zinc/14/99/72/1268149972.db2.gz OSLQHHZXINFFMZ-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CCC[NH2+]C[C@@H]1F ZINC001550731047 1268158342 /nfs/dbraw/zinc/15/83/42/1268158342.db2.gz JTLALUBEHAHLHC-GJZGRUSLSA-N 2 1 358.458 0.257 20 0 FCADMP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550739826 1268159404 /nfs/dbraw/zinc/15/94/04/1268159404.db2.gz DFNMCZKXVUNDPF-ZACQAIPSSA-N 2 1 366.506 0.650 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550910772 1268183134 /nfs/dbraw/zinc/18/31/34/1268183134.db2.gz STFKOZWCWHHXEK-UMGGQSCQSA-N 2 1 367.534 0.677 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550910772 1268183138 /nfs/dbraw/zinc/18/31/38/1268183138.db2.gz STFKOZWCWHHXEK-UMGGQSCQSA-N 2 1 367.534 0.677 20 0 FCADMP CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)C2)[C@@H]1C(C)C ZINC001550910775 1268183188 /nfs/dbraw/zinc/18/31/88/1268183188.db2.gz STFKOZWCWHHXEK-ZULIPRJHSA-N 2 1 367.534 0.677 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)C2)[C@@H]1C(C)C ZINC001550910775 1268183192 /nfs/dbraw/zinc/18/31/92/1268183192.db2.gz STFKOZWCWHHXEK-ZULIPRJHSA-N 2 1 367.534 0.677 20 0 FCADMP CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)C2)[C@H]1C(C)C ZINC001550910773 1268183397 /nfs/dbraw/zinc/18/33/97/1268183397.db2.gz STFKOZWCWHHXEK-XEYPJELSSA-N 2 1 367.534 0.677 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)C2)[C@H]1C(C)C ZINC001550910773 1268183400 /nfs/dbraw/zinc/18/34/00/1268183400.db2.gz STFKOZWCWHHXEK-XEYPJELSSA-N 2 1 367.534 0.677 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001339230240 1268191278 /nfs/dbraw/zinc/19/12/78/1268191278.db2.gz IDDCSRAJSSKEGX-UHFFFAOYSA-N 2 1 362.474 0.915 20 0 FCADMP C[N@H+]1CCC[C@](O)(CC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551159372 1268209185 /nfs/dbraw/zinc/20/91/85/1268209185.db2.gz PSPDVSRFFCMUNN-KVZIAJEVSA-N 2 1 353.507 0.983 20 0 FCADMP C[N@@H+]1C[C@H](CNC(=O)N2CC([NH+]3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228930 1268215657 /nfs/dbraw/zinc/21/56/57/1268215657.db2.gz QAIATJOEBFWJPM-YTQUADARSA-N 2 1 358.486 0.792 20 0 FCADMP C[N@H+]1C[C@H](CNC(=O)N2CC([NH+]3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228930 1268215660 /nfs/dbraw/zinc/21/56/60/1268215660.db2.gz QAIATJOEBFWJPM-YTQUADARSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228930 1268215666 /nfs/dbraw/zinc/21/56/66/1268215666.db2.gz QAIATJOEBFWJPM-YTQUADARSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC([N@H+]3CC[C@H](O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001551228930 1268215672 /nfs/dbraw/zinc/21/56/72/1268215672.db2.gz QAIATJOEBFWJPM-YTQUADARSA-N 2 1 358.486 0.792 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551466346 1268256446 /nfs/dbraw/zinc/25/64/46/1268256446.db2.gz WBJJHEYLNRMIDI-HOTGVXAUSA-N 2 1 354.495 0.507 20 0 FCADMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551466346 1268256453 /nfs/dbraw/zinc/25/64/53/1268256453.db2.gz WBJJHEYLNRMIDI-HOTGVXAUSA-N 2 1 354.495 0.507 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)[C@@H](C)C1 ZINC001551550991 1268265272 /nfs/dbraw/zinc/26/52/72/1268265272.db2.gz PWXHBIAFNIVSCP-JURCDPSOSA-N 2 1 364.412 0.625 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551586744 1268279320 /nfs/dbraw/zinc/27/93/20/1268279320.db2.gz HGFJYNACHPTGFF-HITAIPBASA-N 2 1 358.490 0.771 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551588780 1268279415 /nfs/dbraw/zinc/27/94/15/1268279415.db2.gz GJJMOOTUWMVDGE-JHMUCCBASA-N 2 1 363.506 0.415 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551585358 1268279862 /nfs/dbraw/zinc/27/98/62/1268279862.db2.gz ATUZEOSQUKVIKA-GFOCRRMGSA-N 2 1 365.522 0.757 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596450 1268281891 /nfs/dbraw/zinc/28/18/91/1268281891.db2.gz UASMDMQBCNVCFI-GRZALLJUSA-N 2 1 365.522 0.615 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596453 1268282086 /nfs/dbraw/zinc/28/20/86/1268282086.db2.gz UASMDMQBCNVCFI-KBEGMRNHSA-N 2 1 365.522 0.615 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC001552008578 1268350802 /nfs/dbraw/zinc/35/08/02/1268350802.db2.gz BIAQKPHZYZCUNY-BRWVUGGUSA-N 2 1 354.495 0.602 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC001552008578 1268350813 /nfs/dbraw/zinc/35/08/13/1268350813.db2.gz BIAQKPHZYZCUNY-BRWVUGGUSA-N 2 1 354.495 0.602 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC001552014924 1268351680 /nfs/dbraw/zinc/35/16/80/1268351680.db2.gz XSRJGLNUPPNAHQ-GDBMZVCRSA-N 2 1 364.494 0.881 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC001552014669 1268351732 /nfs/dbraw/zinc/35/17/32/1268351732.db2.gz XNHWIBAEYUBUHQ-QBPKDAKJSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001552014669 1268351741 /nfs/dbraw/zinc/35/17/41/1268351741.db2.gz XNHWIBAEYUBUHQ-QBPKDAKJSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001552013518 1268352929 /nfs/dbraw/zinc/35/29/29/1268352929.db2.gz SYKMQEDIJRSBJB-TVFCKZIOSA-N 2 1 366.506 0.744 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001552089484 1268369489 /nfs/dbraw/zinc/36/94/89/1268369489.db2.gz QBVNKBIGSYPDRH-DACLVMHWSA-N 2 1 363.506 0.599 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001552089484 1268369493 /nfs/dbraw/zinc/36/94/93/1268369493.db2.gz QBVNKBIGSYPDRH-DACLVMHWSA-N 2 1 363.506 0.599 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552109585 1268377061 /nfs/dbraw/zinc/37/70/61/1268377061.db2.gz VFBXBTQHMVNUIE-BRWVUGGUSA-N 2 1 354.495 0.384 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552154521 1268395541 /nfs/dbraw/zinc/39/55/41/1268395541.db2.gz JCBUXMYUJHSKOM-KZNAEPCWSA-N 2 1 350.507 0.145 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552202570 1268409427 /nfs/dbraw/zinc/40/94/27/1268409427.db2.gz KCCOHLKPUCBFKA-QUCCMNQESA-N 2 1 358.486 0.286 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552202569 1268409671 /nfs/dbraw/zinc/40/96/71/1268409671.db2.gz KCCOHLKPUCBFKA-AZUAARDMSA-N 2 1 358.486 0.286 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001552211473 1268411531 /nfs/dbraw/zinc/41/15/31/1268411531.db2.gz KCLPWASYAGQLIR-BJMQQELFSA-N 2 1 364.494 0.354 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001552211473 1268411534 /nfs/dbraw/zinc/41/15/34/1268411534.db2.gz KCLPWASYAGQLIR-BJMQQELFSA-N 2 1 364.494 0.354 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552263782 1268426899 /nfs/dbraw/zinc/42/68/99/1268426899.db2.gz FJIXDWIPPSXMEJ-QZTJIDSGSA-N 2 1 358.486 0.564 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552263782 1268426900 /nfs/dbraw/zinc/42/69/00/1268426900.db2.gz FJIXDWIPPSXMEJ-QZTJIDSGSA-N 2 1 358.486 0.564 20 0 FCADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001340106348 1268437610 /nfs/dbraw/zinc/43/76/10/1268437610.db2.gz SBJRZFBBBZBGQS-HQRMLTQVSA-N 2 1 361.486 0.897 20 0 FCADMP C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001340106348 1268437612 /nfs/dbraw/zinc/43/76/12/1268437612.db2.gz SBJRZFBBBZBGQS-HQRMLTQVSA-N 2 1 361.486 0.897 20 0 FCADMP CSCC[C@H]([NH3+])CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001340111817 1268438571 /nfs/dbraw/zinc/43/85/71/1268438571.db2.gz KJZWMBZUHGOUOV-HNNXBMFYSA-N 2 1 366.535 0.575 20 0 FCADMP [NH3+][C@H](CO)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001340111403 1268438630 /nfs/dbraw/zinc/43/86/30/1268438630.db2.gz BJJKSLZLVKYMIQ-CQSZACIVSA-N 2 1 356.264 0.849 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552353868 1268448266 /nfs/dbraw/zinc/44/82/66/1268448266.db2.gz ZMUGKPLMTXYBDP-SJORKVTESA-N 2 1 366.506 0.555 20 0 FCADMP O=C(CNC(=O)[C@H]1CCCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001552420646 1268459607 /nfs/dbraw/zinc/45/96/07/1268459607.db2.gz SCNCDWJKAXTMMC-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC001552421604 1268459929 /nfs/dbraw/zinc/45/99/29/1268459929.db2.gz PYJFIXKXUYAHIX-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001340334045 1268513037 /nfs/dbraw/zinc/51/30/37/1268513037.db2.gz PVKXJFQBDNDLEF-MFKMUULPSA-N 2 1 358.236 0.562 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552705476 1268526446 /nfs/dbraw/zinc/52/64/46/1268526446.db2.gz GOHMDUHBDAWPSG-QGZVFWFLSA-N 2 1 363.506 0.933 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552705476 1268526451 /nfs/dbraw/zinc/52/64/51/1268526451.db2.gz GOHMDUHBDAWPSG-QGZVFWFLSA-N 2 1 363.506 0.933 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC001552711476 1268531222 /nfs/dbraw/zinc/53/12/22/1268531222.db2.gz UWQLEEYITYXGQP-OIISXLGYSA-N 2 1 363.506 0.789 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC001552711476 1268531225 /nfs/dbraw/zinc/53/12/25/1268531225.db2.gz UWQLEEYITYXGQP-OIISXLGYSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC001552711476 1268531231 /nfs/dbraw/zinc/53/12/31/1268531231.db2.gz UWQLEEYITYXGQP-OIISXLGYSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC001552711476 1268531239 /nfs/dbraw/zinc/53/12/39/1268531239.db2.gz UWQLEEYITYXGQP-OIISXLGYSA-N 2 1 363.506 0.789 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552712341 1268532840 /nfs/dbraw/zinc/53/28/40/1268532840.db2.gz SQUDGBPTCFTJSJ-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552712341 1268532844 /nfs/dbraw/zinc/53/28/44/1268532844.db2.gz SQUDGBPTCFTJSJ-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552724120 1268535335 /nfs/dbraw/zinc/53/53/35/1268535335.db2.gz YRTIFIMFQNRHFY-PBHICJAKSA-N 2 1 363.506 0.789 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552724120 1268535346 /nfs/dbraw/zinc/53/53/46/1268535346.db2.gz YRTIFIMFQNRHFY-PBHICJAKSA-N 2 1 363.506 0.789 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NCC[NH+]2CCCC(C)(C)C2)n1 ZINC001552722394 1268536587 /nfs/dbraw/zinc/53/65/87/1268536587.db2.gz RLCCBLHTVLASFF-MRXNPFEDSA-N 2 1 363.506 0.839 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NCC[NH+]2CCCC(C)(C)C2)n1 ZINC001552722394 1268536592 /nfs/dbraw/zinc/53/65/92/1268536592.db2.gz RLCCBLHTVLASFF-MRXNPFEDSA-N 2 1 363.506 0.839 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001552722394 1268536598 /nfs/dbraw/zinc/53/65/98/1268536598.db2.gz RLCCBLHTVLASFF-MRXNPFEDSA-N 2 1 363.506 0.839 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC001552722394 1268536600 /nfs/dbraw/zinc/53/66/00/1268536600.db2.gz RLCCBLHTVLASFF-MRXNPFEDSA-N 2 1 363.506 0.839 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)CC1 ZINC001552771866 1268543396 /nfs/dbraw/zinc/54/33/96/1268543396.db2.gz VDIJNHIJYSLZQA-WBVHZDCISA-N 2 1 358.490 0.751 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](OC)C2)C1 ZINC001552801195 1268549375 /nfs/dbraw/zinc/54/93/75/1268549375.db2.gz CKQAZAWTDSAXEL-BRSBDYLESA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](OC)C2)C1 ZINC001552801195 1268549381 /nfs/dbraw/zinc/54/93/81/1268549381.db2.gz CKQAZAWTDSAXEL-BRSBDYLESA-N 2 1 368.522 0.990 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](OC)C2)C1 ZINC001552801195 1268549388 /nfs/dbraw/zinc/54/93/88/1268549388.db2.gz CKQAZAWTDSAXEL-BRSBDYLESA-N 2 1 368.522 0.990 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](OC)C2)C1 ZINC001552801195 1268549395 /nfs/dbraw/zinc/54/93/95/1268549395.db2.gz CKQAZAWTDSAXEL-BRSBDYLESA-N 2 1 368.522 0.990 20 0 FCADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001340637297 1268612149 /nfs/dbraw/zinc/61/21/49/1268612149.db2.gz RKDCQQFBFSSRSI-STQMWFEESA-N 2 1 355.401 0.316 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372570 1268639272 /nfs/dbraw/zinc/63/92/72/1268639272.db2.gz JBEYLOXEUFGHOM-ZSZQSSIHSA-N 2 1 354.458 0.986 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccco4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378918 1268640446 /nfs/dbraw/zinc/64/04/46/1268640446.db2.gz OQOKLLQBBSGMIL-KUHUBIRLSA-N 2 1 360.458 0.542 20 0 FCADMP CN(C)C(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cc1 ZINC001553389350 1268642847 /nfs/dbraw/zinc/64/28/47/1268642847.db2.gz LDWOULWLYAGOHP-AUUYWEPGSA-N 2 1 360.458 0.633 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553401147 1268643979 /nfs/dbraw/zinc/64/39/79/1268643979.db2.gz DKLKJWDIWXZGJG-GHTZIAJQSA-N 2 1 370.497 0.902 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553401147 1268643982 /nfs/dbraw/zinc/64/39/82/1268643982.db2.gz DKLKJWDIWXZGJG-GHTZIAJQSA-N 2 1 370.497 0.902 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553430590 1268649316 /nfs/dbraw/zinc/64/93/16/1268649316.db2.gz BNIJKBMAVCSVHY-CVEARBPZSA-N 2 1 365.522 0.618 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553448757 1268651249 /nfs/dbraw/zinc/65/12/49/1268651249.db2.gz CVVNRVAVFNMAEG-KZNAEPCWSA-N 2 1 365.522 0.034 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553510311 1268660908 /nfs/dbraw/zinc/66/09/08/1268660908.db2.gz ZKFLBRMGSWOZJW-LJIZCISZSA-N 2 1 364.494 0.354 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553510311 1268660917 /nfs/dbraw/zinc/66/09/17/1268660917.db2.gz ZKFLBRMGSWOZJW-LJIZCISZSA-N 2 1 364.494 0.354 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001553510315 1268661608 /nfs/dbraw/zinc/66/16/08/1268661608.db2.gz ZKFLBRMGSWOZJW-QCODTGAPSA-N 2 1 364.494 0.354 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553528838 1268663747 /nfs/dbraw/zinc/66/37/47/1268663747.db2.gz VHWNOXYUWUFLRK-ZHALLVOQSA-N 2 1 365.522 0.224 20 0 FCADMP Cn1nnc2c1C[C@H](NC(=O)N1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC[NH2+]CC1)CC2 ZINC001553539092 1268665932 /nfs/dbraw/zinc/66/59/32/1268665932.db2.gz RSEDXRRVVZKULB-BMFZPTHFSA-N 2 1 373.505 0.283 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3nc[nH]c3C23CC[NH2+]CC3)c1 ZINC001340866500 1268686824 /nfs/dbraw/zinc/68/68/24/1268686824.db2.gz HFWWZYQSTZHCQY-INIZCTEOSA-N 2 1 369.469 0.952 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC001341244083 1268885003 /nfs/dbraw/zinc/88/50/03/1268885003.db2.gz LNEAHALVTUESEB-KSSFIOAISA-N 2 1 372.469 0.922 20 0 FCADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001341579057 1269093069 /nfs/dbraw/zinc/09/30/69/1269093069.db2.gz GSRXCTRQXZMFMF-INWMFGNUSA-N 2 1 360.462 0.754 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001341616726 1269111803 /nfs/dbraw/zinc/11/18/03/1269111803.db2.gz ARORRCHPXNMQGK-SFHVURJKSA-N 2 1 373.501 0.235 20 0 FCADMP Cc1nn(C)c2nc(C)c(CC(=O)NCC[NH+]3CCC([NH3+])CC3)c(C)c12 ZINC001341689982 1269151569 /nfs/dbraw/zinc/15/15/69/1269151569.db2.gz FWUBVWFGBVIOCU-UHFFFAOYSA-N 2 1 358.490 0.975 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001341685906 1269151730 /nfs/dbraw/zinc/15/17/30/1269151730.db2.gz ZQQIJBJOQPLRFC-NVXWUHKLSA-N 2 1 359.474 0.226 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C34CC(C3)C[NH2+]4)c2)C1 ZINC001341696060 1269155760 /nfs/dbraw/zinc/15/57/60/1269155760.db2.gz JMWZNPJXQCSTJG-GNZRSQJKSA-N 2 1 356.470 0.752 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCS(=O)(=O)N(C)C)CC2)CC1 ZINC001559919452 1269180925 /nfs/dbraw/zinc/18/09/25/1269180925.db2.gz JECFRDGQABLCBE-UHFFFAOYSA-N 2 1 360.568 0.760 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(C)c(=O)c1 ZINC001563333068 1269381271 /nfs/dbraw/zinc/38/12/71/1269381271.db2.gz FPGIZKCXWZANBJ-HNNXBMFYSA-N 2 1 350.467 0.660 20 0 FCADMP CC[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)C1 ZINC001564725409 1269431481 /nfs/dbraw/zinc/43/14/81/1269431481.db2.gz KJXWQOLCLORKSH-XYTVBORESA-N 2 1 365.522 0.806 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001566048293 1269580858 /nfs/dbraw/zinc/58/08/58/1269580858.db2.gz IHNKLGVMNNUKIL-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001342939495 1269691351 /nfs/dbraw/zinc/69/13/51/1269691351.db2.gz IPQPNNFXEOOXKT-JFIYKMOQSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC[C@H]2CCCO2)C2CC2)CC[N@@H+]1C ZINC001567442173 1269694551 /nfs/dbraw/zinc/69/45/51/1269694551.db2.gz GKBPJDGOIFOIFM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC[C@H]2CCCO2)C2CC2)CC[N@H+]1C ZINC001567442173 1269694554 /nfs/dbraw/zinc/69/45/54/1269694554.db2.gz GKBPJDGOIFOIFM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NC[C@H]2CCCO2)C2CC2)CC[NH+]1C ZINC001567442173 1269694558 /nfs/dbraw/zinc/69/45/58/1269694558.db2.gz GKBPJDGOIFOIFM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C2CC2)CC[NH+]1C ZINC001567442173 1269694564 /nfs/dbraw/zinc/69/45/64/1269694564.db2.gz GKBPJDGOIFOIFM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCN(C)C(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001567746334 1269705120 /nfs/dbraw/zinc/70/51/20/1269705120.db2.gz CHGYVXLGVDUHLH-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001567746334 1269705117 /nfs/dbraw/zinc/70/51/17/1269705117.db2.gz CHGYVXLGVDUHLH-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001567746334 1269705128 /nfs/dbraw/zinc/70/51/28/1269705128.db2.gz CHGYVXLGVDUHLH-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001343060264 1269751180 /nfs/dbraw/zinc/75/11/80/1269751180.db2.gz UWDHROTVBHQBMT-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001343503179 1269929781 /nfs/dbraw/zinc/92/97/81/1269929781.db2.gz XMUJOWIPOREDAL-WMLDXEAASA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001343503179 1269929785 /nfs/dbraw/zinc/92/97/85/1269929785.db2.gz XMUJOWIPOREDAL-WMLDXEAASA-N 2 1 359.474 0.695 20 0 FCADMP CCc1nnc(N2CC[NH2+]CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001573839984 1270901164 /nfs/dbraw/zinc/90/11/64/1270901164.db2.gz IVUCGQWYTFJLHD-HNNXBMFYSA-N 2 1 363.510 0.193 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574251249 1271119565 /nfs/dbraw/zinc/11/95/65/1271119565.db2.gz ABKRELYPVZHGPO-UHFFFAOYSA-N 2 1 363.441 0.894 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001574251526 1271119697 /nfs/dbraw/zinc/11/96/97/1271119697.db2.gz GVKFEVGLFCDHSX-STQMWFEESA-N 2 1 358.450 0.425 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574255373 1271125676 /nfs/dbraw/zinc/12/56/76/1271125676.db2.gz PQDNAUAEFGXACK-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261032 1271134988 /nfs/dbraw/zinc/13/49/88/1271134988.db2.gz CWHWGZDOIBZPBG-OAHLLOKOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261032 1271134991 /nfs/dbraw/zinc/13/49/91/1271134991.db2.gz CWHWGZDOIBZPBG-OAHLLOKOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261032 1271134994 /nfs/dbraw/zinc/13/49/94/1271134994.db2.gz CWHWGZDOIBZPBG-OAHLLOKOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574264384 1271141091 /nfs/dbraw/zinc/14/10/91/1271141091.db2.gz FWYITVRCZYUXNG-WKILWMFISA-N 2 1 357.462 0.944 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574264381 1271141631 /nfs/dbraw/zinc/14/16/31/1271141631.db2.gz FWYITVRCZYUXNG-IYBDPMFKSA-N 2 1 357.462 0.944 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289056 1271165727 /nfs/dbraw/zinc/16/57/27/1271165727.db2.gz VHPAIHUBHIIYFO-SWLSCSKDSA-N 2 1 358.450 0.473 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288578 1271165836 /nfs/dbraw/zinc/16/58/36/1271165836.db2.gz KUJYTFIBLYGKDK-XJKSGUPXSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598414 1271401437 /nfs/dbraw/zinc/40/14/37/1271401437.db2.gz QJKMWLZKIZYRDW-CZUORRHYSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574854634 1271607551 /nfs/dbraw/zinc/60/75/51/1271607551.db2.gz RPQGNFJLWLPQJD-AWEZNQCLSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870926 1271622031 /nfs/dbraw/zinc/62/20/31/1271622031.db2.gz FHYKICNVBAWSLC-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP CC(=O)N1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCn2cc[nH+]c2C)CC1 ZINC001574996842 1271689421 /nfs/dbraw/zinc/68/94/21/1271689421.db2.gz CQTWJCOGLOXWKH-IYBDPMFKSA-N 2 1 372.477 0.356 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575115958 1271729246 /nfs/dbraw/zinc/72/92/46/1271729246.db2.gz UAGTXRTWGWELCV-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@](O)(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183400 1271773197 /nfs/dbraw/zinc/77/31/97/1271773197.db2.gz HZQWTWGFUNWYDI-YJBOKZPZSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC(C)(C)[NH3+] ZINC001575713173 1272354093 /nfs/dbraw/zinc/35/40/93/1272354093.db2.gz SQMNNDDVIICEBY-KBPBESRZSA-N 2 1 363.510 0.827 20 0 FCADMP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575802802 1272453154 /nfs/dbraw/zinc/45/31/54/1272453154.db2.gz KPUIGARNSCWOIA-KRWDZBQOSA-N 2 1 368.445 0.443 20 0 FCADMP C[C@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001575915537 1272559652 /nfs/dbraw/zinc/55/96/52/1272559652.db2.gz SAEGTZQLHYZMEK-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH3+])CC1 ZINC001575998932 1272678134 /nfs/dbraw/zinc/67/81/34/1272678134.db2.gz SGMOGAWYOREKBC-GJZGRUSLSA-N 2 1 363.510 0.745 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576115285 1272908723 /nfs/dbraw/zinc/90/87/23/1272908723.db2.gz OHQQHZOLNBWFSJ-BETUJISGSA-N 2 1 370.461 0.617 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254807 1273036049 /nfs/dbraw/zinc/03/60/49/1273036049.db2.gz FXQZXVGPQACMGD-DOMZBBRYSA-N 2 1 358.450 0.283 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254808 1273038294 /nfs/dbraw/zinc/03/82/94/1273038294.db2.gz FXQZXVGPQACMGD-SWLSCSKDSA-N 2 1 358.450 0.283 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC001576419616 1273246547 /nfs/dbraw/zinc/24/65/47/1273246547.db2.gz WVFLQKJLDZRQEB-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC001576419616 1273246554 /nfs/dbraw/zinc/24/65/54/1273246554.db2.gz WVFLQKJLDZRQEB-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC1(C)C[N@H+](CCn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH3+])C2)CCO1 ZINC001576457778 1273289090 /nfs/dbraw/zinc/28/90/90/1273289090.db2.gz MYRPWSFWEWDLCT-CQSZACIVSA-N 2 1 372.477 0.383 20 0 FCADMP CC1(C)C[N@@H+](CCn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH3+])C2)CCO1 ZINC001576457778 1273289093 /nfs/dbraw/zinc/28/90/93/1273289093.db2.gz MYRPWSFWEWDLCT-CQSZACIVSA-N 2 1 372.477 0.383 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCc3cn[nH]n3)C2)cn1 ZINC001576750167 1273620710 /nfs/dbraw/zinc/62/07/10/1273620710.db2.gz NSDZHWDGERXOIG-HNNXBMFYSA-N 2 1 374.493 0.247 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[C@H]2CC[N@H+](CCc3c[nH]nn3)C2)cn1 ZINC001576750167 1273620718 /nfs/dbraw/zinc/62/07/18/1273620718.db2.gz NSDZHWDGERXOIG-HNNXBMFYSA-N 2 1 374.493 0.247 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCc3c[nH]nn3)C2)cn1 ZINC001576750167 1273620722 /nfs/dbraw/zinc/62/07/22/1273620722.db2.gz NSDZHWDGERXOIG-HNNXBMFYSA-N 2 1 374.493 0.247 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794288 1273696752 /nfs/dbraw/zinc/69/67/52/1273696752.db2.gz DUELENXRHQOBGK-CVEARBPZSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576827606 1273753274 /nfs/dbraw/zinc/75/32/74/1273753274.db2.gz SCJWGBALEVOSKG-HLLBOEOZSA-N 2 1 371.489 0.844 20 0 FCADMP C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001576847199 1273791780 /nfs/dbraw/zinc/79/17/80/1273791780.db2.gz ZPRUWUVTTJYPIN-HRCADAONSA-N 2 1 364.494 0.635 20 0 FCADMP C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001576859844 1273821478 /nfs/dbraw/zinc/82/14/78/1273821478.db2.gz CNCYOSRJJUVOAV-JKSUJKDBSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001576859844 1273821487 /nfs/dbraw/zinc/82/14/87/1273821487.db2.gz CNCYOSRJJUVOAV-JKSUJKDBSA-N 2 1 371.489 0.859 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852317 /nfs/dbraw/zinc/85/23/17/1273852317.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852323 /nfs/dbraw/zinc/85/23/23/1273852323.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852336 /nfs/dbraw/zinc/85/23/36/1273852336.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852341 /nfs/dbraw/zinc/85/23/41/1273852341.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852348 /nfs/dbraw/zinc/85/23/48/1273852348.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852354 /nfs/dbraw/zinc/85/23/54/1273852354.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875009 1273852361 /nfs/dbraw/zinc/85/23/61/1273852361.db2.gz AOYFHZQFMJHMAH-NZSAHSFTSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881787 /nfs/dbraw/zinc/88/17/87/1273881787.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881799 /nfs/dbraw/zinc/88/17/99/1273881799.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881805 /nfs/dbraw/zinc/88/18/05/1273881805.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881811 /nfs/dbraw/zinc/88/18/11/1273881811.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881822 /nfs/dbraw/zinc/88/18/22/1273881822.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881835 /nfs/dbraw/zinc/88/18/35/1273881835.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890410 1273881843 /nfs/dbraw/zinc/88/18/43/1273881843.db2.gz UYJQYOCUTFICEN-QRVBRYPASA-N 2 1 368.485 0.883 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCOCC1 ZINC001577068444 1274130861 /nfs/dbraw/zinc/13/08/61/1274130861.db2.gz GLQVSTALZSPYKS-SJLPKXTDSA-N 2 1 356.511 0.619 20 0 FCADMP CC[C@H](CO)[NH+]1CCN(C(=O)C[NH2+]CCNC(=O)OC(C)(C)C)CC1 ZINC001577090285 1274149101 /nfs/dbraw/zinc/14/91/01/1274149101.db2.gz QRBVCPXQOSQUHA-CQSZACIVSA-N 2 1 358.483 0.016 20 0 FCADMP CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH3+])CC[N@H+]1CCOC ZINC001577296545 1274312380 /nfs/dbraw/zinc/31/23/80/1274312380.db2.gz QDXZWKNKVOCANR-KRWDZBQOSA-N 2 1 373.505 0.770 20 0 FCADMP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH3+])CC[N@H+]1CCOC ZINC001577296546 1274313731 /nfs/dbraw/zinc/31/37/31/1274313731.db2.gz QDXZWKNKVOCANR-QGZVFWFLSA-N 2 1 373.505 0.770 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551771 1274491562 /nfs/dbraw/zinc/49/15/62/1274491562.db2.gz UXJVUCMIKOOBLA-KGLIPLIRSA-N 2 1 372.477 0.532 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550910 1274491921 /nfs/dbraw/zinc/49/19/21/1274491921.db2.gz OMICRKCZXHANQN-IUODEOHRSA-N 2 1 358.450 0.284 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554421 1274497255 /nfs/dbraw/zinc/49/72/55/1274497255.db2.gz RTWHVIPJCCAPFD-CQSZACIVSA-N 2 1 372.477 0.594 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577559220 1274503459 /nfs/dbraw/zinc/50/34/59/1274503459.db2.gz UJCPFRRHYKRRNQ-HNNXBMFYSA-N 2 1 374.493 0.968 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577562650 1274513416 /nfs/dbraw/zinc/51/34/16/1274513416.db2.gz DQEPZDPXBUPHLN-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562845 1274514334 /nfs/dbraw/zinc/51/43/34/1274514334.db2.gz HCCGJFIYRVIPFW-WAYWQWQTSA-N 2 1 358.450 0.418 20 0 FCADMP CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577598566 1274566981 /nfs/dbraw/zinc/56/69/81/1274566981.db2.gz TUVZHMGDDPQZPQ-ZDUSSCGKSA-N 2 1 358.450 0.546 20 0 FCADMP CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577598566 1274566985 /nfs/dbraw/zinc/56/69/85/1274566985.db2.gz TUVZHMGDDPQZPQ-ZDUSSCGKSA-N 2 1 358.450 0.546 20 0 FCADMP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577633732 1274621693 /nfs/dbraw/zinc/62/16/93/1274621693.db2.gz IEKOZMXUQNCPDY-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577633735 1274622103 /nfs/dbraw/zinc/62/21/03/1274622103.db2.gz IEKOZMXUQNCPDY-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673907 1274707227 /nfs/dbraw/zinc/70/72/27/1274707227.db2.gz ZXVDOKPVFCTJJO-CJNGLKHVSA-N 2 1 372.477 0.783 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@@H]1C ZINC001577760598 1274843761 /nfs/dbraw/zinc/84/37/61/1274843761.db2.gz YRHUUTWIPICRNE-KKUMJFAQSA-N 2 1 363.510 0.887 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001577763577 1274848152 /nfs/dbraw/zinc/84/81/52/1274848152.db2.gz FMAFDKLACIJTNN-HUUCEWRRSA-N 2 1 356.478 0.862 20 0 FCADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577798529 1274900478 /nfs/dbraw/zinc/90/04/78/1274900478.db2.gz RQVHPJRDDZMGHH-ZDUSSCGKSA-N 2 1 358.450 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852154 1274993078 /nfs/dbraw/zinc/99/30/78/1274993078.db2.gz KVZHEJYTKXNRQU-CQSZACIVSA-N 2 1 372.477 0.676 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577856264 1275010171 /nfs/dbraw/zinc/01/01/71/1275010171.db2.gz VHRHQKRQPNXABW-UHFFFAOYSA-N 2 1 358.450 0.642 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577856264 1275010174 /nfs/dbraw/zinc/01/01/74/1275010174.db2.gz VHRHQKRQPNXABW-UHFFFAOYSA-N 2 1 358.450 0.642 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577860405 1275021321 /nfs/dbraw/zinc/02/13/21/1275021321.db2.gz WRSJCWODKJHLOM-KBPBESRZSA-N 2 1 370.461 0.701 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577860255 1275022436 /nfs/dbraw/zinc/02/24/36/1275022436.db2.gz UVVSWOWKSROJBC-GOSISDBHSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577860208 1275023623 /nfs/dbraw/zinc/02/36/23/1275023623.db2.gz SYOHSUWEQKUKHF-OAHLLOKOSA-N 2 1 374.493 0.968 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862865 1275031075 /nfs/dbraw/zinc/03/10/75/1275031075.db2.gz LYHCPSLLTFJPIB-HIFRSBDPSA-N 2 1 372.477 0.722 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577863181 1275034469 /nfs/dbraw/zinc/03/44/69/1275034469.db2.gz SDXGDZCHLRRRME-UHFFFAOYSA-N 2 1 358.450 0.332 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577867059 1275047121 /nfs/dbraw/zinc/04/71/21/1275047121.db2.gz SUSFEWJBJWIFTB-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577867059 1275047126 /nfs/dbraw/zinc/04/71/26/1275047126.db2.gz SUSFEWJBJWIFTB-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577867059 1275047131 /nfs/dbraw/zinc/04/71/31/1275047131.db2.gz SUSFEWJBJWIFTB-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577867148 1275049453 /nfs/dbraw/zinc/04/94/53/1275049453.db2.gz WAIAXVWPYDDKHP-UHFFFAOYSA-N 2 1 372.477 0.866 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577869856 1275055389 /nfs/dbraw/zinc/05/53/89/1275055389.db2.gz ZRHDIBONIAYFNM-ZIAGYGMSSA-N 2 1 372.477 0.792 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869853 1275057323 /nfs/dbraw/zinc/05/73/23/1275057323.db2.gz ZNQJZMHCNWQIQJ-CYBMUJFWSA-N 2 1 358.450 0.607 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577872196 1275062397 /nfs/dbraw/zinc/06/23/97/1275062397.db2.gz WDYOIGQJZTWPGJ-IYBDPMFKSA-N 2 1 357.462 0.945 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577893971 1275104191 /nfs/dbraw/zinc/10/41/91/1275104191.db2.gz GZBKKTYHRDWBHM-HUUCEWRRSA-N 2 1 372.477 0.254 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577893971 1275104192 /nfs/dbraw/zinc/10/41/92/1275104192.db2.gz GZBKKTYHRDWBHM-HUUCEWRRSA-N 2 1 372.477 0.254 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@H](C)C1 ZINC001578108082 1275411070 /nfs/dbraw/zinc/41/10/70/1275411070.db2.gz NVBJXFFNXJZZGJ-HZPDHXFCSA-N 2 1 353.507 0.744 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)C[NH3+])CC1 ZINC001578115177 1275416760 /nfs/dbraw/zinc/41/67/60/1275416760.db2.gz ASINTBAJGYKURB-CVEARBPZSA-N 2 1 366.510 0.535 20 0 FCADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H](C)[NH2+]C ZINC001578133115 1275432665 /nfs/dbraw/zinc/43/26/65/1275432665.db2.gz YHOGSZRKBYJXQF-YJBOKZPZSA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[C@H]1CC[NH2+]C1 ZINC001578142193 1275441738 /nfs/dbraw/zinc/44/17/38/1275441738.db2.gz OEBMKBDYGKFTRB-CVEARBPZSA-N 2 1 364.494 0.335 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[C@H]1CC[NH2+]C1 ZINC001578142193 1275441744 /nfs/dbraw/zinc/44/17/44/1275441744.db2.gz OEBMKBDYGKFTRB-CVEARBPZSA-N 2 1 364.494 0.335 20 0 FCADMP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001578206092 1275496157 /nfs/dbraw/zinc/49/61/57/1275496157.db2.gz AGPZGEJYWPAWQU-INIZCTEOSA-N 2 1 359.536 0.735 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578221177 1275519375 /nfs/dbraw/zinc/51/93/75/1275519375.db2.gz OEFNWJJLEORAHZ-HNNXBMFYSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578223636 1275523869 /nfs/dbraw/zinc/52/38/69/1275523869.db2.gz CFPBGVIBSIJZMF-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578223636 1275523874 /nfs/dbraw/zinc/52/38/74/1275523874.db2.gz CFPBGVIBSIJZMF-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001578311161 1275649389 /nfs/dbraw/zinc/64/93/89/1275649389.db2.gz DGGQZOVISHQYNZ-IRXDYDNUSA-N 2 1 363.554 0.899 20 0 FCADMP CCc1nnc(N2CC[C@@H]([NH2+]C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001578314870 1275655288 /nfs/dbraw/zinc/65/52/88/1275655288.db2.gz FGGMVNDDUNEXCT-IAGOWNOFSA-N 2 1 363.554 0.912 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001578324784 1275670140 /nfs/dbraw/zinc/67/01/40/1275670140.db2.gz YZPLQNRPNBISMR-JKSUJKDBSA-N 2 1 350.511 0.995 20 0 FCADMP CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001578326642 1275672339 /nfs/dbraw/zinc/67/23/39/1275672339.db2.gz MQAFTOQOXYHQKO-OAHLLOKOSA-N 2 1 365.526 0.030 20 0 FCADMP CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001578326642 1275672353 /nfs/dbraw/zinc/67/23/53/1275672353.db2.gz MQAFTOQOXYHQKO-OAHLLOKOSA-N 2 1 365.526 0.030 20 0 FCADMP CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001578326642 1275672366 /nfs/dbraw/zinc/67/23/66/1275672366.db2.gz MQAFTOQOXYHQKO-OAHLLOKOSA-N 2 1 365.526 0.030 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446839 1275841582 /nfs/dbraw/zinc/84/15/82/1275841582.db2.gz HWMQXEOPGWTEMX-TYNCELHUSA-N 2 1 358.450 0.331 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCO2 ZINC001578471918 1275883864 /nfs/dbraw/zinc/88/38/64/1275883864.db2.gz STWULEBQMZIZRN-FXAWDEMLSA-N 2 1 358.486 0.646 20 0 FCADMP CN(C[C@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578525970 1275960160 /nfs/dbraw/zinc/96/01/60/1275960160.db2.gz VQRCRWYKGQJOMZ-ZXFNITATSA-N 2 1 364.494 0.022 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529711 1275961837 /nfs/dbraw/zinc/96/18/37/1275961837.db2.gz YLQVBRYLCSUBQA-QLFBSQMISA-N 2 1 350.463 0.550 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529712 1275962436 /nfs/dbraw/zinc/96/24/36/1275962436.db2.gz YLQVBRYLCSUBQA-RBSFLKMASA-N 2 1 350.463 0.550 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC001578532597 1275963712 /nfs/dbraw/zinc/96/37/12/1275963712.db2.gz NIQRKGXKGOGXJT-UHFFFAOYSA-N 2 1 357.458 0.494 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@@H](c2ccccc2)C1 ZINC001578533723 1275964867 /nfs/dbraw/zinc/96/48/67/1275964867.db2.gz VARBOEQAHJZERC-SFHLNBCPSA-N 2 1 372.513 0.717 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@@H](c2ccccc2)C1 ZINC001578533723 1275964872 /nfs/dbraw/zinc/96/48/72/1275964872.db2.gz VARBOEQAHJZERC-SFHLNBCPSA-N 2 1 372.513 0.717 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@@H](c2ccccc2)C1 ZINC001578533723 1275964877 /nfs/dbraw/zinc/96/48/77/1275964877.db2.gz VARBOEQAHJZERC-SFHLNBCPSA-N 2 1 372.513 0.717 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001578609487 1276044720 /nfs/dbraw/zinc/04/47/20/1276044720.db2.gz UIQJUUZFHSMNIY-JKSUJKDBSA-N 2 1 373.505 0.918 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001578610754 1276046806 /nfs/dbraw/zinc/04/68/06/1276046806.db2.gz BNCAOTJSKSRMEW-NFAWXSAZSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578613399 1276049442 /nfs/dbraw/zinc/04/94/42/1276049442.db2.gz YKNXBEYRXOYNIM-UONOGXRCSA-N 2 1 358.450 0.232 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@H]2CC23C[NH2+]C3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001578781999 1276264389 /nfs/dbraw/zinc/26/43/89/1276264389.db2.gz WKOYEYXJVUVSCJ-OXQOHEQNSA-N 2 1 357.454 0.920 20 0 FCADMP COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001578787146 1276267863 /nfs/dbraw/zinc/26/78/63/1276267863.db2.gz AFBZUIFZVXMTAO-CVEARBPZSA-N 2 1 352.479 0.609 20 0 FCADMP COC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578898404 1276431931 /nfs/dbraw/zinc/43/19/31/1276431931.db2.gz YFDGBOTZSCFYEI-GJZGRUSLSA-N 2 1 364.494 0.648 20 0 FCADMP COC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578898404 1276431934 /nfs/dbraw/zinc/43/19/34/1276431934.db2.gz YFDGBOTZSCFYEI-GJZGRUSLSA-N 2 1 364.494 0.648 20 0 FCADMP CO[C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)Cc3cccnc3N2C1 ZINC001578936585 1276479008 /nfs/dbraw/zinc/47/90/08/1276479008.db2.gz WCXFPLTUPUVXHU-IAGOWNOFSA-N 2 1 359.474 0.313 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578971882 1276517567 /nfs/dbraw/zinc/51/75/67/1276517567.db2.gz LJIAWXKRDOYNNS-CYBMUJFWSA-N 2 1 370.461 0.689 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578974552 1276522477 /nfs/dbraw/zinc/52/24/77/1276522477.db2.gz OXNAEVDUUWZVKC-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578976412 1276528123 /nfs/dbraw/zinc/52/81/23/1276528123.db2.gz YTMCLWRZASJDAV-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578978049 1276533998 /nfs/dbraw/zinc/53/39/98/1276533998.db2.gz DCSWLRBYZNASHT-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578980139 1276540490 /nfs/dbraw/zinc/54/04/90/1276540490.db2.gz BHFVWRBQNFJCHN-OAHLLOKOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578980996 1276542425 /nfs/dbraw/zinc/54/24/25/1276542425.db2.gz RXHWAJQQAUWUEO-UHFFFAOYSA-N 2 1 361.425 0.506 20 0 FCADMP COCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001579019518 1276597911 /nfs/dbraw/zinc/59/79/11/1276597911.db2.gz UOCUYVVHBAWLQP-MRXNPFEDSA-N 2 1 366.510 0.550 20 0 FCADMP COCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021694 1276598752 /nfs/dbraw/zinc/59/87/52/1276598752.db2.gz PRTRFDSGYNBFPW-INIZCTEOSA-N 2 1 373.505 0.640 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001579022198 1276598947 /nfs/dbraw/zinc/59/89/47/1276598947.db2.gz TZDXUTNIUVWKJG-BZUAXINKSA-N 2 1 366.510 0.881 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001579022507 1276600610 /nfs/dbraw/zinc/60/06/10/1276600610.db2.gz YAWUZKCGXZSZST-HOCLYGCPSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2[NH2+]CC[C@H]2C)CC1 ZINC001579038042 1276622218 /nfs/dbraw/zinc/62/22/18/1276622218.db2.gz AKKXHINJGALJIV-NVXWUHKLSA-N 2 1 362.522 0.997 20 0 FCADMP COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH3+])CC1 ZINC001579039804 1276627558 /nfs/dbraw/zinc/62/75/58/1276627558.db2.gz YNCNVXZWQMUBQS-OAHLLOKOSA-N 2 1 359.478 0.380 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579166290 1276917673 /nfs/dbraw/zinc/91/76/73/1276917673.db2.gz BYEKRSYODLVTMA-UHFFFAOYSA-N 2 1 355.446 0.511 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168368 1276919969 /nfs/dbraw/zinc/91/99/69/1276919969.db2.gz GUKDJJRJIBIOFZ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168368 1276919974 /nfs/dbraw/zinc/91/99/74/1276919974.db2.gz GUKDJJRJIBIOFZ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001579168368 1276919979 /nfs/dbraw/zinc/91/99/79/1276919979.db2.gz GUKDJJRJIBIOFZ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327201 1277153016 /nfs/dbraw/zinc/15/30/16/1277153016.db2.gz QCQPCXKFFXEJNZ-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327201 1277153017 /nfs/dbraw/zinc/15/30/17/1277153017.db2.gz QCQPCXKFFXEJNZ-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327201 1277153019 /nfs/dbraw/zinc/15/30/19/1277153019.db2.gz QCQPCXKFFXEJNZ-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327516 1277155734 /nfs/dbraw/zinc/15/57/34/1277155734.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327516 1277155738 /nfs/dbraw/zinc/15/57/38/1277155738.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327516 1277155742 /nfs/dbraw/zinc/15/57/42/1277155742.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327923 1277156761 /nfs/dbraw/zinc/15/67/61/1277156761.db2.gz ZHAXXRRGPHBTDX-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579329636 1277159965 /nfs/dbraw/zinc/15/99/65/1277159965.db2.gz SAJLZBUQSLRUHQ-RYUDHWBXSA-N 2 1 361.475 0.570 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330162 1277160089 /nfs/dbraw/zinc/16/00/89/1277160089.db2.gz YNHNLNNLOKGQEB-PMPSAXMXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330162 1277160090 /nfs/dbraw/zinc/16/00/90/1277160090.db2.gz YNHNLNNLOKGQEB-PMPSAXMXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330162 1277160092 /nfs/dbraw/zinc/16/00/92/1277160092.db2.gz YNHNLNNLOKGQEB-PMPSAXMXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579330162 1277160094 /nfs/dbraw/zinc/16/00/94/1277160094.db2.gz YNHNLNNLOKGQEB-PMPSAXMXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331628 1277163020 /nfs/dbraw/zinc/16/30/20/1277163020.db2.gz DGHWAZNWCGJCTP-VXGBXAGGSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331628 1277163026 /nfs/dbraw/zinc/16/30/26/1277163026.db2.gz DGHWAZNWCGJCTP-VXGBXAGGSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331628 1277163030 /nfs/dbraw/zinc/16/30/30/1277163030.db2.gz DGHWAZNWCGJCTP-VXGBXAGGSA-N 2 1 361.475 0.570 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001579332260 1277166114 /nfs/dbraw/zinc/16/61/14/1277166114.db2.gz KPYWSFKHFQLVRI-AWEZNQCLSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579333625 1277169222 /nfs/dbraw/zinc/16/92/22/1277169222.db2.gz RMXKFVDWBUSXRP-OAHLLOKOSA-N 2 1 355.446 0.557 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334012 1277170369 /nfs/dbraw/zinc/17/03/69/1277170369.db2.gz BBLTYVVJPANWBM-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334012 1277170373 /nfs/dbraw/zinc/17/03/73/1277170373.db2.gz BBLTYVVJPANWBM-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334012 1277170376 /nfs/dbraw/zinc/17/03/76/1277170376.db2.gz BBLTYVVJPANWBM-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334009 1277171027 /nfs/dbraw/zinc/17/10/27/1277171027.db2.gz BBLTYVVJPANWBM-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334009 1277171028 /nfs/dbraw/zinc/17/10/28/1277171028.db2.gz BBLTYVVJPANWBM-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334009 1277171029 /nfs/dbraw/zinc/17/10/29/1277171029.db2.gz BBLTYVVJPANWBM-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334936 1277172979 /nfs/dbraw/zinc/17/29/79/1277172979.db2.gz JVAPRRDCQJKDQX-OGVSOVDVSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334868 1277173207 /nfs/dbraw/zinc/17/32/07/1277173207.db2.gz IPEQPHFNXHCFGC-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334868 1277173210 /nfs/dbraw/zinc/17/32/10/1277173210.db2.gz IPEQPHFNXHCFGC-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334868 1277173212 /nfs/dbraw/zinc/17/32/12/1277173212.db2.gz IPEQPHFNXHCFGC-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334868 1277173214 /nfs/dbraw/zinc/17/32/14/1277173214.db2.gz IPEQPHFNXHCFGC-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334796 1277173781 /nfs/dbraw/zinc/17/37/81/1277173781.db2.gz HBFSQZNWCUMTHA-MRXNPFEDSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334769 1277173899 /nfs/dbraw/zinc/17/38/99/1277173899.db2.gz ZYHIMTKVYKXDCH-IYXRBSQSSA-N 2 1 370.461 0.475 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335977 1277179245 /nfs/dbraw/zinc/17/92/45/1277179245.db2.gz XNPKCXWZGBNFTM-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335977 1277179247 /nfs/dbraw/zinc/17/92/47/1277179247.db2.gz XNPKCXWZGBNFTM-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335977 1277179248 /nfs/dbraw/zinc/17/92/48/1277179248.db2.gz XNPKCXWZGBNFTM-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579339791 1277183640 /nfs/dbraw/zinc/18/36/40/1277183640.db2.gz MOFOWXYLSVTTLC-AEGPPILISA-N 2 1 373.436 0.694 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579340214 1277185663 /nfs/dbraw/zinc/18/56/63/1277185663.db2.gz QSVJXUYCSJFSDX-OAHLLOKOSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341009 1277187385 /nfs/dbraw/zinc/18/73/85/1277187385.db2.gz FDRORCJSUFMUQW-AWEZNQCLSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579341009 1277187387 /nfs/dbraw/zinc/18/73/87/1277187387.db2.gz FDRORCJSUFMUQW-AWEZNQCLSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341467 1277189295 /nfs/dbraw/zinc/18/92/95/1277189295.db2.gz MSAKPZXILVNVDC-ZIAGYGMSSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345286 1277197063 /nfs/dbraw/zinc/19/70/63/1277197063.db2.gz KTPYINZDEKVVKX-CYBMUJFWSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345286 1277197066 /nfs/dbraw/zinc/19/70/66/1277197066.db2.gz KTPYINZDEKVVKX-CYBMUJFWSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579357587 1277225238 /nfs/dbraw/zinc/22/52/38/1277225238.db2.gz YZPRNOPZWNAUSK-HOTGVXAUSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001579358399 1277227283 /nfs/dbraw/zinc/22/72/83/1277227283.db2.gz CWZOTFYZTCCPJR-OAHLLOKOSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361719 1277238896 /nfs/dbraw/zinc/23/88/96/1277238896.db2.gz PSDCNIGSIXJXTH-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361719 1277238900 /nfs/dbraw/zinc/23/89/00/1277238900.db2.gz PSDCNIGSIXJXTH-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361719 1277238902 /nfs/dbraw/zinc/23/89/02/1277238902.db2.gz PSDCNIGSIXJXTH-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361428 1277239422 /nfs/dbraw/zinc/23/94/22/1277239422.db2.gz KVNLVZZJJKFKGG-HZSPNIEDSA-N 2 1 370.461 0.617 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001579493239 1277407243 /nfs/dbraw/zinc/40/72/43/1277407243.db2.gz HZEOIZVVXZZBPB-KRXQYRFLSA-N 2 1 364.494 0.383 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH3+])C1 ZINC001579883495 1277948821 /nfs/dbraw/zinc/94/88/21/1277948821.db2.gz VDYASDWRXNDRMD-HUUCEWRRSA-N 2 1 372.477 0.609 20 0 FCADMP Cc1nnc(N2CCN(c3cnccn3)CC2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910964 1277959045 /nfs/dbraw/zinc/95/90/45/1277959045.db2.gz YEWUJARWHNGDOP-UHFFFAOYSA-N 2 1 373.509 0.374 20 0 FCADMP Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001579910969 1277959241 /nfs/dbraw/zinc/95/92/41/1277959241.db2.gz YGPIQSUJJVSNSA-GOEBONIOSA-N 2 1 363.510 0.327 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC001580027553 1277994708 /nfs/dbraw/zinc/99/47/08/1277994708.db2.gz DNSNVYPBOARALL-IUODEOHRSA-N 2 1 373.461 0.564 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580274110 1278066858 /nfs/dbraw/zinc/06/68/58/1278066858.db2.gz LALZGBIRCIWVNV-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC001580275700 1278069763 /nfs/dbraw/zinc/06/97/63/1278069763.db2.gz ZGFKIHNFCNAVTI-YPMHNXCESA-N 2 1 351.394 0.946 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC001580275700 1278069771 /nfs/dbraw/zinc/06/97/71/1278069771.db2.gz ZGFKIHNFCNAVTI-YPMHNXCESA-N 2 1 351.394 0.946 20 0 FCADMP Cc1cc(N(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949102 1279155245 /nfs/dbraw/zinc/15/52/45/1279155245.db2.gz NSYPKEBKJNUZHI-OKILXGFUSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972964 1279172967 /nfs/dbraw/zinc/17/29/67/1279172967.db2.gz RLOKOGCNOOOSHJ-HIFRSBDPSA-N 2 1 372.477 0.994 20 0 FCADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977842 1279178084 /nfs/dbraw/zinc/17/80/84/1279178084.db2.gz SYEVMAHKLIKEDP-KNCOVGOOSA-N 2 1 368.445 0.215 20 0 FCADMP Cc1cc(N[C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988318 1279188522 /nfs/dbraw/zinc/18/85/22/1279188522.db2.gz IQPZOFYKGSKOTQ-OLZOCXBDSA-N 2 1 360.466 0.637 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991420 1279194287 /nfs/dbraw/zinc/19/42/87/1279194287.db2.gz OSEWUGLJGZKDGH-BBRMVZONSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992798 1279196258 /nfs/dbraw/zinc/19/62/58/1279196258.db2.gz AXLRLBOMJITDGO-HZPDHXFCSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992797 1279196740 /nfs/dbraw/zinc/19/67/40/1279196740.db2.gz AXLRLBOMJITDGO-HOTGVXAUSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994251 1279201741 /nfs/dbraw/zinc/20/17/41/1279201741.db2.gz SVBOZECQFWFBEQ-CZUORRHYSA-N 2 1 372.477 0.496 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010767 1279236289 /nfs/dbraw/zinc/23/62/89/1279236289.db2.gz VKVFKIDGXPXIKM-GFCCVEGCSA-N 2 1 360.466 0.496 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011761 1279238346 /nfs/dbraw/zinc/23/83/46/1279238346.db2.gz OFKWRPVPURMAJU-MGPQQGTHSA-N 2 1 372.477 0.591 20 0 FCADMP Cc1cc(NC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581017205 1279248478 /nfs/dbraw/zinc/24/84/78/1279248478.db2.gz VVAJQZMOPNLCFF-MRXNPFEDSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(NC[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023990 1279255175 /nfs/dbraw/zinc/25/51/75/1279255175.db2.gz YMTJFUIEPRKURD-CQSZACIVSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581027947 1279263454 /nfs/dbraw/zinc/26/34/54/1279263454.db2.gz ZCEQYEVCJZWQFV-NSHDSACASA-N 2 1 369.433 0.504 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030495 1279268456 /nfs/dbraw/zinc/26/84/56/1279268456.db2.gz BHSDUCJFSSBJAO-DOMZBBRYSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030766 1279268510 /nfs/dbraw/zinc/26/85/10/1279268510.db2.gz MQEQBUWQJHYHTA-DGCLKSJQSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038197 1279274496 /nfs/dbraw/zinc/27/44/96/1279274496.db2.gz GVOYCUJSURLFAU-BETUJISGSA-N 2 1 358.450 0.391 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001715230006 1287346490 /nfs/dbraw/zinc/34/64/90/1287346490.db2.gz LPWNVXCLEJQAAU-IACUBPJLSA-N 2 1 351.451 0.604 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001715201094 1287346529 /nfs/dbraw/zinc/34/65/29/1287346529.db2.gz CASUNFFPFADKAV-UMVBOHGHSA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001715830329 1287362790 /nfs/dbraw/zinc/36/27/90/1287362790.db2.gz ZCIUSVSLGTVTLQ-HUUCEWRRSA-N 2 1 369.510 0.199 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001715830329 1287362794 /nfs/dbraw/zinc/36/27/94/1287362794.db2.gz ZCIUSVSLGTVTLQ-HUUCEWRRSA-N 2 1 369.510 0.199 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715830329 1287362800 /nfs/dbraw/zinc/36/28/00/1287362800.db2.gz ZCIUSVSLGTVTLQ-HUUCEWRRSA-N 2 1 369.510 0.199 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715830329 1287362806 /nfs/dbraw/zinc/36/28/06/1287362806.db2.gz ZCIUSVSLGTVTLQ-HUUCEWRRSA-N 2 1 369.510 0.199 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581337732 1279715413 /nfs/dbraw/zinc/71/54/13/1279715413.db2.gz HFQOJAQDUDPKRH-INIZCTEOSA-N 2 1 366.429 0.762 20 0 FCADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716103410 1287372813 /nfs/dbraw/zinc/37/28/13/1287372813.db2.gz PIPBKTRDFXVXLH-OTWHNJEPSA-N 2 1 371.485 0.332 20 0 FCADMP C[C@@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1)C(N)=O ZINC001718034271 1287453737 /nfs/dbraw/zinc/45/37/37/1287453737.db2.gz GCHOHCVPPHNTKL-LALPHHSUSA-N 2 1 350.438 0.746 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582311177 1281312814 /nfs/dbraw/zinc/31/28/14/1281312814.db2.gz HNJAUVQPCHHYKH-INIZCTEOSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001582319984 1281337524 /nfs/dbraw/zinc/33/75/24/1281337524.db2.gz RHFOMQZKPMVINC-GFCCVEGCSA-N 2 1 354.418 0.052 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001631849939 1282123912 /nfs/dbraw/zinc/12/39/12/1282123912.db2.gz FKZYYCIGHFRMMX-HNNXBMFYSA-N 2 1 352.479 0.404 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001631849939 1282123940 /nfs/dbraw/zinc/12/39/40/1282123940.db2.gz FKZYYCIGHFRMMX-HNNXBMFYSA-N 2 1 352.479 0.404 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[C@H]1[NH3+] ZINC001604107691 1287570994 /nfs/dbraw/zinc/57/09/94/1287570994.db2.gz JDMAVRXAGHXTNJ-HFBAOOFYSA-N 2 1 355.446 0.639 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(C)C ZINC001604304919 1287600589 /nfs/dbraw/zinc/60/05/89/1287600589.db2.gz QIUWPETZGZAIAV-MRXNPFEDSA-N 2 1 357.462 0.900 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(C)C ZINC001604304919 1287600595 /nfs/dbraw/zinc/60/05/95/1287600595.db2.gz QIUWPETZGZAIAV-MRXNPFEDSA-N 2 1 357.462 0.900 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708584 1282951650 /nfs/dbraw/zinc/95/16/50/1282951650.db2.gz POOUJZJDFIMEQD-DYVFJYSZSA-N 2 1 369.473 0.900 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001589708584 1282951661 /nfs/dbraw/zinc/95/16/61/1282951661.db2.gz POOUJZJDFIMEQD-DYVFJYSZSA-N 2 1 369.473 0.900 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001642835576 1283044046 /nfs/dbraw/zinc/04/40/46/1283044046.db2.gz CISQRIVZXRBYFP-SFHVURJKSA-N 2 1 358.486 0.952 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001590196165 1283305343 /nfs/dbraw/zinc/30/53/43/1283305343.db2.gz DGFZCHFUXMVDAD-DIOULYMOSA-N 2 1 355.446 0.652 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001590196165 1283305357 /nfs/dbraw/zinc/30/53/57/1283305357.db2.gz DGFZCHFUXMVDAD-DIOULYMOSA-N 2 1 355.446 0.652 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590732449 1283763413 /nfs/dbraw/zinc/76/34/13/1283763413.db2.gz LVKBJGJAEZTCIJ-UHFFFAOYSA-N 2 1 371.489 0.942 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590732449 1283763422 /nfs/dbraw/zinc/76/34/22/1283763422.db2.gz LVKBJGJAEZTCIJ-UHFFFAOYSA-N 2 1 371.489 0.942 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590733554 1283768456 /nfs/dbraw/zinc/76/84/56/1283768456.db2.gz UAEMMWVEKDGQBP-OAHLLOKOSA-N 2 1 358.450 0.395 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OC ZINC001683325606 1283942160 /nfs/dbraw/zinc/94/21/60/1283942160.db2.gz OXFBMQRGVZQJJS-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001591102134 1284172262 /nfs/dbraw/zinc/17/22/62/1284172262.db2.gz VJGSOHBBENXXPX-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175747 1284265319 /nfs/dbraw/zinc/26/53/19/1284265319.db2.gz UKIPCWLZWOVYEN-YPQKKHBXSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591184307 1284291393 /nfs/dbraw/zinc/29/13/93/1284291393.db2.gz JFKSBGTYGSYHHW-INIZCTEOSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591186272 1284294307 /nfs/dbraw/zinc/29/43/07/1284294307.db2.gz OZIDRZSYMJNXLF-MRXNPFEDSA-N 2 1 357.462 0.947 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591187621 1284302648 /nfs/dbraw/zinc/30/26/48/1284302648.db2.gz FZPJZSNCPOKBHW-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001591189882 1284307369 /nfs/dbraw/zinc/30/73/69/1284307369.db2.gz XCIDSZVMNBLEMP-UHFFFAOYSA-N 2 1 355.446 0.610 20 0 FCADMP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001591194294 1284313092 /nfs/dbraw/zinc/31/30/92/1284313092.db2.gz JIWTWCRYTJJJLH-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001591194294 1284313096 /nfs/dbraw/zinc/31/30/96/1284313096.db2.gz JIWTWCRYTJJJLH-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001591194293 1284313796 /nfs/dbraw/zinc/31/37/96/1284313796.db2.gz JIWTWCRYTJJJLH-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001591194293 1284313805 /nfs/dbraw/zinc/31/38/05/1284313805.db2.gz JIWTWCRYTJJJLH-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591216656 1284352058 /nfs/dbraw/zinc/35/20/58/1284352058.db2.gz VMMGORKLALMUBF-CQSZACIVSA-N 2 1 372.477 0.692 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001719104964 1287739715 /nfs/dbraw/zinc/73/97/15/1287739715.db2.gz WHPXEOFLRCLUKG-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[NH+]2C)[nH+]1 ZINC001592044830 1285085652 /nfs/dbraw/zinc/08/56/52/1285085652.db2.gz JQMADCOBVZYEPG-STQMWFEESA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@@H+]2C)[nH+]1 ZINC001592044830 1285085658 /nfs/dbraw/zinc/08/56/58/1285085658.db2.gz JQMADCOBVZYEPG-STQMWFEESA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@H+]2C)[nH+]1 ZINC001592044830 1285085663 /nfs/dbraw/zinc/08/56/63/1285085663.db2.gz JQMADCOBVZYEPG-STQMWFEESA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049193 1285094523 /nfs/dbraw/zinc/09/45/23/1285094523.db2.gz KGMQOLSDXWJLAC-CZUORRHYSA-N 2 1 370.461 0.537 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592301807 1285223301 /nfs/dbraw/zinc/22/33/01/1285223301.db2.gz XZXHSMCMOCAINQ-UHFFFAOYSA-N 2 1 372.408 0.807 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001719115130 1287769564 /nfs/dbraw/zinc/76/95/64/1287769564.db2.gz QQMCTWKOPPWFIE-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592417846 1285342359 /nfs/dbraw/zinc/34/23/59/1285342359.db2.gz MHZMFEATESALCX-UHFFFAOYSA-N 2 1 354.418 0.620 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(F)c(-c4nn[nH]n4)c3)nn2)CC1 ZINC001592739335 1285656511 /nfs/dbraw/zinc/65/65/11/1285656511.db2.gz ACIFTSJDCFDDQF-UHFFFAOYSA-N 2 1 371.424 0.611 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742283 1285659814 /nfs/dbraw/zinc/65/98/14/1285659814.db2.gz ZAGOWSWTNALJFA-LOHUMSBYSA-N 2 1 353.430 0.392 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001592741935 1285661097 /nfs/dbraw/zinc/66/10/97/1285661097.db2.gz RDUWOADVZXOLJV-GDBMZVCRSA-N 2 1 355.446 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001702427450 1285671610 /nfs/dbraw/zinc/67/16/10/1285671610.db2.gz RPOILRSEVXUNCO-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)N1CC[NH2+]CC1 ZINC001592784097 1285707459 /nfs/dbraw/zinc/70/74/59/1285707459.db2.gz UKSJUFQJEXKMIJ-HNNXBMFYSA-N 2 1 355.446 0.511 20 0 FCADMP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001593075798 1285972105 /nfs/dbraw/zinc/97/21/05/1285972105.db2.gz DRFHAMQFXXUBMA-BBRMVZONSA-N 2 1 370.461 0.619 20 0 FCADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284582 1289049157 /nfs/dbraw/zinc/04/91/57/1289049157.db2.gz UXILANTZKMGYKJ-GOEBONIOSA-N 2 1 360.462 0.928 20 0 FCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504092 1286182927 /nfs/dbraw/zinc/18/29/27/1286182927.db2.gz FUUZMAWTJIIISA-RRFJBIMHSA-N 2 1 358.446 0.823 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001719282772 1288021290 /nfs/dbraw/zinc/02/12/90/1288021290.db2.gz GIFZFVBNPTWAHV-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001719282772 1288021293 /nfs/dbraw/zinc/02/12/93/1288021293.db2.gz GIFZFVBNPTWAHV-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001719282772 1288021296 /nfs/dbraw/zinc/02/12/96/1288021296.db2.gz GIFZFVBNPTWAHV-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001720845295 1288269044 /nfs/dbraw/zinc/26/90/44/1288269044.db2.gz ORTSVIQACPUWFT-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001720845295 1288269048 /nfs/dbraw/zinc/26/90/48/1288269048.db2.gz ORTSVIQACPUWFT-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)F ZINC001606437370 1288316990 /nfs/dbraw/zinc/31/69/90/1288316990.db2.gz KZUNOABXZIYPTK-VXGBXAGGSA-N 2 1 351.361 0.152 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001606477601 1288337993 /nfs/dbraw/zinc/33/79/93/1288337993.db2.gz MIPXEPYQGYOJFP-SQWLQELKSA-N 2 1 353.430 0.121 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)C3CC3)CCCC2)CC[N@H+]1C ZINC001732392018 1288582591 /nfs/dbraw/zinc/58/25/91/1288582591.db2.gz BKBRTLQWPRYXGB-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(C3CC3)C3CC3)CC2)CC[N@H+]1C ZINC001733244916 1288604679 /nfs/dbraw/zinc/60/46/79/1288604679.db2.gz CHXUFCJZKAPACG-CZUORRHYSA-N 2 1 362.518 0.870 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691947385 1289348013 /nfs/dbraw/zinc/34/80/13/1289348013.db2.gz BIVBESRZKJGRMJ-GVDBMIGSSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCCF)C2)C1 ZINC001691981702 1289356232 /nfs/dbraw/zinc/35/62/32/1289356232.db2.gz DQEGJBMFIPEOFU-GVDBMIGSSA-N 2 1 367.469 0.384 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCCF)C2)C1 ZINC001691981702 1289356243 /nfs/dbraw/zinc/35/62/43/1289356243.db2.gz DQEGJBMFIPEOFU-GVDBMIGSSA-N 2 1 367.469 0.384 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCOCCNC(C)=O ZINC001691988832 1289359935 /nfs/dbraw/zinc/35/99/35/1289359935.db2.gz UGHGAKOGRBNLFE-KSZLIROESA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCOCCNC(C)=O ZINC001691988832 1289359946 /nfs/dbraw/zinc/35/99/46/1289359946.db2.gz UGHGAKOGRBNLFE-KSZLIROESA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCOCCNC(C)=O ZINC001691988832 1289359958 /nfs/dbraw/zinc/35/99/58/1289359958.db2.gz UGHGAKOGRBNLFE-KSZLIROESA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCOCCNC(C)=O ZINC001691988832 1289359964 /nfs/dbraw/zinc/35/99/64/1289359964.db2.gz UGHGAKOGRBNLFE-KSZLIROESA-N 2 1 368.522 0.593 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001698082800 1289523148 /nfs/dbraw/zinc/52/31/48/1289523148.db2.gz UDJFZTIPWFRIMK-QGZVFWFLSA-N 2 1 366.510 0.202 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001698082800 1289523153 /nfs/dbraw/zinc/52/31/53/1289523153.db2.gz UDJFZTIPWFRIMK-QGZVFWFLSA-N 2 1 366.510 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001737454601 1289550644 /nfs/dbraw/zinc/55/06/44/1289550644.db2.gz RWEQCIDDOVOKEX-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699814767 1289566804 /nfs/dbraw/zinc/56/68/04/1289566804.db2.gz TZONRKHALJNSLU-LBTNJELSSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699814767 1289566813 /nfs/dbraw/zinc/56/68/13/1289566813.db2.gz TZONRKHALJNSLU-LBTNJELSSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699814767 1289566834 /nfs/dbraw/zinc/56/68/34/1289566834.db2.gz TZONRKHALJNSLU-LBTNJELSSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699814767 1289566838 /nfs/dbraw/zinc/56/68/38/1289566838.db2.gz TZONRKHALJNSLU-LBTNJELSSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001700196538 1289585287 /nfs/dbraw/zinc/58/52/87/1289585287.db2.gz ZEJGBLGOPMXHDD-UKRRQHHQSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001700196538 1289585291 /nfs/dbraw/zinc/58/52/91/1289585291.db2.gz ZEJGBLGOPMXHDD-UKRRQHHQSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001700196538 1289585301 /nfs/dbraw/zinc/58/53/01/1289585301.db2.gz ZEJGBLGOPMXHDD-UKRRQHHQSA-N 2 1 367.494 0.095 20 0 FCADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001614040154 1289735567 /nfs/dbraw/zinc/73/55/67/1289735567.db2.gz ODEOSWSCSJHFTQ-OAHLLOKOSA-N 2 1 366.535 0.410 20 0 FCADMP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001614040154 1289735574 /nfs/dbraw/zinc/73/55/74/1289735574.db2.gz ODEOSWSCSJHFTQ-OAHLLOKOSA-N 2 1 366.535 0.410 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001739235972 1289823816 /nfs/dbraw/zinc/82/38/16/1289823816.db2.gz FAJPSHVAZGFRGL-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001739235972 1289823827 /nfs/dbraw/zinc/82/38/27/1289823827.db2.gz FAJPSHVAZGFRGL-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001739235972 1289823840 /nfs/dbraw/zinc/82/38/40/1289823840.db2.gz FAJPSHVAZGFRGL-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1O ZINC001739467319 1290051254 /nfs/dbraw/zinc/05/12/54/1290051254.db2.gz CDPFLNIIJIZVDS-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1O ZINC001739467319 1290051266 /nfs/dbraw/zinc/05/12/66/1290051266.db2.gz CDPFLNIIJIZVDS-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001739653200 1290303780 /nfs/dbraw/zinc/30/37/80/1290303780.db2.gz RQNUMYAIAQEDDI-CVEARBPZSA-N 2 1 365.478 0.001 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001739653200 1290303791 /nfs/dbraw/zinc/30/37/91/1290303791.db2.gz RQNUMYAIAQEDDI-CVEARBPZSA-N 2 1 365.478 0.001 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C[C@@H]1O ZINC001739663081 1290327375 /nfs/dbraw/zinc/32/73/75/1290327375.db2.gz CUNKEPQUKFHJGN-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1O ZINC001739663081 1290327384 /nfs/dbraw/zinc/32/73/84/1290327384.db2.gz CUNKEPQUKFHJGN-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1O ZINC001739663081 1290327391 /nfs/dbraw/zinc/32/73/91/1290327391.db2.gz CUNKEPQUKFHJGN-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](C[NH2+]Cc1nnnn1CC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754225908 1290626571 /nfs/dbraw/zinc/62/65/71/1290626571.db2.gz RCROFDHDMMVWMP-GMTAPVOTSA-N 2 1 363.388 0.170 20 0 FCADMP C[C@H](C[NH2+]Cc1nnnn1CC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001754225908 1290626579 /nfs/dbraw/zinc/62/65/79/1290626579.db2.gz RCROFDHDMMVWMP-GMTAPVOTSA-N 2 1 363.388 0.170 20 0 FCADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525486 1290673834 /nfs/dbraw/zinc/67/38/34/1290673834.db2.gz QMMTZGXNHZYSKN-XMTFNYHQSA-N 2 1 353.507 0.716 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661886 1291289182 /nfs/dbraw/zinc/28/91/82/1291289182.db2.gz CSFQHSKEJXATCX-HZPDHXFCSA-N 2 1 355.479 0.583 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661885 1291289792 /nfs/dbraw/zinc/28/97/92/1291289792.db2.gz CSFQHSKEJXATCX-HOTGVXAUSA-N 2 1 355.479 0.583 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1noc(C)n1 ZINC001653953069 1291384517 /nfs/dbraw/zinc/38/45/17/1291384517.db2.gz AQCWPKHXVJIZPH-AWEZNQCLSA-N 2 1 359.496 0.556 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1noc(C)n1 ZINC001653953078 1291385045 /nfs/dbraw/zinc/38/50/45/1291385045.db2.gz AQCWPKHXVJIZPH-CQSZACIVSA-N 2 1 359.496 0.556 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)cn2)CC1 ZINC001655666189 1291480907 /nfs/dbraw/zinc/48/09/07/1291480907.db2.gz MBRWLMUKQIYMPO-HOTGVXAUSA-N 2 1 367.519 0.674 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)N(C)C ZINC001666621231 1291914963 /nfs/dbraw/zinc/91/49/63/1291914963.db2.gz XCRSYNSCFHRTRW-JQHSSLGASA-N 2 1 360.502 0.762 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC001677045077 1292223472 /nfs/dbraw/zinc/22/34/72/1292223472.db2.gz AUTRKVLUCKHQKE-UHFFFAOYSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601277 1292311026 /nfs/dbraw/zinc/31/10/26/1292311026.db2.gz KOVDAKJQWIMVBQ-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601277 1292311035 /nfs/dbraw/zinc/31/10/35/1292311035.db2.gz KOVDAKJQWIMVBQ-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601277 1292311044 /nfs/dbraw/zinc/31/10/44/1292311044.db2.gz KOVDAKJQWIMVBQ-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001688903456 1294548449 /nfs/dbraw/zinc/54/84/49/1294548449.db2.gz IXVKVEGFUNGCSX-VFPIZLKKSA-N 2 1 350.507 0.726 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001688984904 1294559339 /nfs/dbraw/zinc/55/93/39/1294559339.db2.gz MKXNUILCURHPPJ-MELADBBJSA-N 2 1 367.494 0.189 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001689009985 1294567010 /nfs/dbraw/zinc/56/70/10/1294567010.db2.gz IQLNDEDVPXNGNZ-LSDHHAIUSA-N 2 1 365.478 0.863 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001689075959 1294596260 /nfs/dbraw/zinc/59/62/60/1294596260.db2.gz HQXCTFOAOARGLM-LZLYRXPVSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C ZINC001689084572 1294604221 /nfs/dbraw/zinc/60/42/21/1294604221.db2.gz CJNWOOROLAWGBQ-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001689099949 1294616949 /nfs/dbraw/zinc/61/69/49/1294616949.db2.gz LFXZOTYWOPYJHN-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184677 1294653830 /nfs/dbraw/zinc/65/38/30/1294653830.db2.gz OIOQJHBQARTBHC-SOUVJXGZSA-N 2 1 367.494 0.272 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184677 1294653841 /nfs/dbraw/zinc/65/38/41/1294653841.db2.gz OIOQJHBQARTBHC-SOUVJXGZSA-N 2 1 367.494 0.272 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184677 1294653851 /nfs/dbraw/zinc/65/38/51/1294653851.db2.gz OIOQJHBQARTBHC-SOUVJXGZSA-N 2 1 367.494 0.272 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184677 1294653863 /nfs/dbraw/zinc/65/38/63/1294653863.db2.gz OIOQJHBQARTBHC-SOUVJXGZSA-N 2 1 367.494 0.272 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001689222096 1294678483 /nfs/dbraw/zinc/67/84/83/1294678483.db2.gz BFRMZOBVBUUMDR-IKGGRYGDSA-N 2 1 368.497 0.679 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224318 1294682402 /nfs/dbraw/zinc/68/24/02/1294682402.db2.gz HOYQVIJVWVQHMD-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224318 1294682408 /nfs/dbraw/zinc/68/24/08/1294682408.db2.gz HOYQVIJVWVQHMD-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224318 1294682417 /nfs/dbraw/zinc/68/24/17/1294682417.db2.gz HOYQVIJVWVQHMD-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001689291804 1294716072 /nfs/dbraw/zinc/71/60/72/1294716072.db2.gz IAVKDTSYBQZAAI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001689291804 1294716078 /nfs/dbraw/zinc/71/60/78/1294716078.db2.gz IAVKDTSYBQZAAI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001689314627 1294737421 /nfs/dbraw/zinc/73/74/21/1294737421.db2.gz DYARWIZUAFKPHT-CJNGLKHVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001689314627 1294737426 /nfs/dbraw/zinc/73/74/26/1294737426.db2.gz DYARWIZUAFKPHT-CJNGLKHVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001690337902 1294864116 /nfs/dbraw/zinc/86/41/16/1294864116.db2.gz DOCIUNDEXADXFM-NJMOYASZSA-N 2 1 364.412 0.630 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCOCC(F)(F)F ZINC001691658536 1294908106 /nfs/dbraw/zinc/90/81/06/1294908106.db2.gz XIVLXPVCEGATAL-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCOCC(F)(F)F ZINC001691658536 1294908112 /nfs/dbraw/zinc/90/81/12/1294908112.db2.gz XIVLXPVCEGATAL-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCOCC(F)(F)F ZINC001691658536 1294908121 /nfs/dbraw/zinc/90/81/21/1294908121.db2.gz XIVLXPVCEGATAL-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCOCC(F)(F)F ZINC001691658536 1294908132 /nfs/dbraw/zinc/90/81/32/1294908132.db2.gz XIVLXPVCEGATAL-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2C[NH2+]C3)CC1 ZINC001164823090 720308489 /nfs/dbraw/zinc/30/84/89/720308489.db2.gz ODYQZCKDEMGCLN-ZWKOTPCHSA-N 2 1 370.501 0.991 20 0 FCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@H+]3C2)cn1 ZINC001164740904 720806842 /nfs/dbraw/zinc/80/68/42/720806842.db2.gz AWIGVWWUTGURBK-LSDHHAIUSA-N 2 1 353.430 0.295 20 0 FCADMP COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164847053 720832824 /nfs/dbraw/zinc/83/28/24/720832824.db2.gz HVXJAKHUYZJNGU-YJBOKZPZSA-N 2 1 361.490 0.338 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@@H]3C2)cn1 ZINC001164767980 721249470 /nfs/dbraw/zinc/24/94/70/721249470.db2.gz XIROHAVXLXSWKK-WBVHZDCISA-N 2 1 353.474 0.855 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883618 721400222 /nfs/dbraw/zinc/40/02/22/721400222.db2.gz BGAJPIIEHGNGMQ-MJGOQNOKSA-N 2 1 360.506 0.701 20 0 FCADMP c1csc(C[N@H+]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)n1 ZINC001164791105 721412487 /nfs/dbraw/zinc/41/24/87/721412487.db2.gz ZNSGRGMMXIUOKW-GASCZTMLSA-N 2 1 371.514 0.911 20 0 FCADMP c1csc(C[N@@H+]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)n1 ZINC001164791105 721412491 /nfs/dbraw/zinc/41/24/91/721412491.db2.gz ZNSGRGMMXIUOKW-GASCZTMLSA-N 2 1 371.514 0.911 20 0 FCADMP c1csc(C[NH+]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)n1 ZINC001164791109 721412800 /nfs/dbraw/zinc/41/28/00/721412800.db2.gz ZNSGRGMMXIUOKW-HUUCEWRRSA-N 2 1 371.514 0.911 20 0 FCADMP O=C(c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)N1CC[NH2+]CC1 ZINC001164966912 722073766 /nfs/dbraw/zinc/07/37/66/722073766.db2.gz GZGGKJVUCOPCGI-CALCHBBNSA-N 2 1 371.485 0.426 20 0 FCADMP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164966582 722073979 /nfs/dbraw/zinc/07/39/79/722073979.db2.gz CHDGLVRMORBOIM-CALCHBBNSA-N 2 1 358.490 0.704 20 0 FCADMP Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(C[NH3+])c1 ZINC001164996634 722235988 /nfs/dbraw/zinc/23/59/88/722235988.db2.gz HMIMJJQXNKZXFQ-UHFFFAOYSA-N 2 1 367.501 0.996 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924823 837563725 /nfs/dbraw/zinc/56/37/25/837563725.db2.gz HOUYRRLHJPMSEP-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924823 837563736 /nfs/dbraw/zinc/56/37/36/837563736.db2.gz HOUYRRLHJPMSEP-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924823 837563740 /nfs/dbraw/zinc/56/37/40/837563740.db2.gz HOUYRRLHJPMSEP-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069924823 837563747 /nfs/dbraw/zinc/56/37/47/837563747.db2.gz HOUYRRLHJPMSEP-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097411 837616898 /nfs/dbraw/zinc/61/68/98/837616898.db2.gz QSZPFPYVQXETBU-XHSDSOJGSA-N 2 1 360.487 0.833 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097411 837616901 /nfs/dbraw/zinc/61/69/01/837616901.db2.gz QSZPFPYVQXETBU-XHSDSOJGSA-N 2 1 360.487 0.833 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097411 837616903 /nfs/dbraw/zinc/61/69/03/837616903.db2.gz QSZPFPYVQXETBU-XHSDSOJGSA-N 2 1 360.487 0.833 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097411 837616907 /nfs/dbraw/zinc/61/69/07/837616907.db2.gz QSZPFPYVQXETBU-XHSDSOJGSA-N 2 1 360.487 0.833 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070382632 837651135 /nfs/dbraw/zinc/65/11/35/837651135.db2.gz JUGGZOKYUCLYIV-INMHGKMJSA-N 2 1 354.470 0.383 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917460 837698079 /nfs/dbraw/zinc/69/80/79/837698079.db2.gz AAMADMDHCSGZFC-OAGGEKHMSA-N 2 1 350.463 0.454 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917460 837698089 /nfs/dbraw/zinc/69/80/89/837698089.db2.gz AAMADMDHCSGZFC-OAGGEKHMSA-N 2 1 350.463 0.454 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927294 837704261 /nfs/dbraw/zinc/70/42/61/837704261.db2.gz ZXWSCSWOHVCZKQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927294 837704271 /nfs/dbraw/zinc/70/42/71/837704271.db2.gz ZXWSCSWOHVCZKQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070927294 837704280 /nfs/dbraw/zinc/70/42/80/837704280.db2.gz ZXWSCSWOHVCZKQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070927294 837704285 /nfs/dbraw/zinc/70/42/85/837704285.db2.gz ZXWSCSWOHVCZKQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CC1 ZINC001072746603 837743927 /nfs/dbraw/zinc/74/39/27/837743927.db2.gz WMEOJMQYFLLXPH-SJORKVTESA-N 2 1 351.491 0.260 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001099341478 844033896 /nfs/dbraw/zinc/03/38/96/844033896.db2.gz FLYHXFWCVDAONG-YNEHKIRRSA-N 2 1 360.384 0.209 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341869 844034881 /nfs/dbraw/zinc/03/48/81/844034881.db2.gz XYZDCKXQKOZWNU-MRVWCRGKSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341869 844034889 /nfs/dbraw/zinc/03/48/89/844034889.db2.gz XYZDCKXQKOZWNU-MRVWCRGKSA-N 2 1 359.396 0.851 20 0 FCADMP O=C(C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F)N1CCC1 ZINC001099343073 844035916 /nfs/dbraw/zinc/03/59/16/844035916.db2.gz DQTMDMRKHCUFSR-CHWSQXEVSA-N 2 1 362.396 0.293 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243698 844117106 /nfs/dbraw/zinc/11/71/06/844117106.db2.gz ZLWIXCNKGXKSMZ-NTDBWNAOSA-N 2 1 353.507 0.506 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243698 844117111 /nfs/dbraw/zinc/11/71/11/844117111.db2.gz ZLWIXCNKGXKSMZ-NTDBWNAOSA-N 2 1 353.507 0.506 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243698 844117117 /nfs/dbraw/zinc/11/71/17/844117117.db2.gz ZLWIXCNKGXKSMZ-NTDBWNAOSA-N 2 1 353.507 0.506 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257010 844122318 /nfs/dbraw/zinc/12/23/18/844122318.db2.gz CQCITNVSVXQDMY-RYRKJORJSA-N 2 1 359.486 0.456 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257455 844122363 /nfs/dbraw/zinc/12/23/63/844122363.db2.gz VEMSBZUUAHZROA-RKVPGOIHSA-N 2 1 356.486 0.583 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267394 844126961 /nfs/dbraw/zinc/12/69/61/844126961.db2.gz CASYFCTUFSCZNO-NUJGCVRESA-N 2 1 371.547 0.542 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267394 844126968 /nfs/dbraw/zinc/12/69/68/844126968.db2.gz CASYFCTUFSCZNO-NUJGCVRESA-N 2 1 371.547 0.542 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101283954 844134339 /nfs/dbraw/zinc/13/43/39/844134339.db2.gz FRIFDCDQHKTAET-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101283954 844134343 /nfs/dbraw/zinc/13/43/43/844134343.db2.gz FRIFDCDQHKTAET-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101283954 844134345 /nfs/dbraw/zinc/13/43/45/844134345.db2.gz FRIFDCDQHKTAET-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101290572 844137255 /nfs/dbraw/zinc/13/72/55/844137255.db2.gz ZCVMQAIVUHCVRA-AEFFLSMTSA-N 2 1 351.491 0.404 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351312 844155157 /nfs/dbraw/zinc/15/51/57/844155157.db2.gz CMBJCKYCJWKFHY-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342713 844152275 /nfs/dbraw/zinc/15/22/75/844152275.db2.gz JJCJZQUAUVUAES-QAPCUYQASA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101352329 844156426 /nfs/dbraw/zinc/15/64/26/844156426.db2.gz AKGLMBDVSZRCAX-UXLLHSPISA-N 2 1 359.536 0.399 20 0 FCADMP C[C@H](COCC(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369856 844163339 /nfs/dbraw/zinc/16/33/39/844163339.db2.gz QUONINOPXLXMRL-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038148 836461045 /nfs/dbraw/zinc/46/10/45/836461045.db2.gz IYZHPGRUAHPHTC-HZPDHXFCSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038148 836461051 /nfs/dbraw/zinc/46/10/51/836461051.db2.gz IYZHPGRUAHPHTC-HZPDHXFCSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000751038148 836461059 /nfs/dbraw/zinc/46/10/59/836461059.db2.gz IYZHPGRUAHPHTC-HZPDHXFCSA-N 2 1 369.579 0.878 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393859 844172822 /nfs/dbraw/zinc/17/28/22/844172822.db2.gz IYHIUEWQDVDJOF-SCTDSRPQSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393859 844172828 /nfs/dbraw/zinc/17/28/28/844172828.db2.gz IYHIUEWQDVDJOF-SCTDSRPQSA-N 2 1 353.507 0.650 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)C1=O ZINC001101400306 844174677 /nfs/dbraw/zinc/17/46/77/844174677.db2.gz QHJFWTVMRNXWIU-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418506 844179949 /nfs/dbraw/zinc/17/99/49/844179949.db2.gz VNPAPDWGSYZLGU-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418506 844179951 /nfs/dbraw/zinc/17/99/51/844179951.db2.gz VNPAPDWGSYZLGU-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418506 844179953 /nfs/dbraw/zinc/17/99/53/844179953.db2.gz VNPAPDWGSYZLGU-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CCOCC(F)F)C[C@@]2(C)C1 ZINC001101432112 844184229 /nfs/dbraw/zinc/18/42/29/844184229.db2.gz BHHGSZVLILUYJC-PBHICJAKSA-N 2 1 363.449 0.627 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101437027 844185522 /nfs/dbraw/zinc/18/55/22/844185522.db2.gz ZCWUGXQGXAYCRQ-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441209 844187091 /nfs/dbraw/zinc/18/70/91/844187091.db2.gz NTTWBHYXVRNEFX-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441209 844187092 /nfs/dbraw/zinc/18/70/92/844187092.db2.gz NTTWBHYXVRNEFX-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441209 844187098 /nfs/dbraw/zinc/18/70/98/844187098.db2.gz NTTWBHYXVRNEFX-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)CC[N@H+]1C ZINC001061021998 836678998 /nfs/dbraw/zinc/67/89/98/836678998.db2.gz CAXMOEAGWWFCGX-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061620633 836700383 /nfs/dbraw/zinc/70/03/83/836700383.db2.gz DKLPUJXAYKONPH-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461720 844192798 /nfs/dbraw/zinc/19/27/98/844192798.db2.gz QLDYDRIRCLXJNC-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063099823 836750338 /nfs/dbraw/zinc/75/03/38/836750338.db2.gz BJSWYHUSBNBXJP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063099823 836750349 /nfs/dbraw/zinc/75/03/49/836750349.db2.gz BJSWYHUSBNBXJP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063099823 836750355 /nfs/dbraw/zinc/75/03/55/836750355.db2.gz BJSWYHUSBNBXJP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[NH+](C)C3CCC3)CCC2)CC[N@H+]1C ZINC001063401994 836765969 /nfs/dbraw/zinc/76/59/69/836765969.db2.gz IZCRWSQEKSTRGF-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[N@H+](C)C3CCC3)CCC2)CC[NH+]1C ZINC001063401994 836765983 /nfs/dbraw/zinc/76/59/83/836765983.db2.gz IZCRWSQEKSTRGF-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[N@@H+](C)C3CCC3)CCC2)CC[NH+]1C ZINC001063401994 836765992 /nfs/dbraw/zinc/76/59/92/836765992.db2.gz IZCRWSQEKSTRGF-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H](C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063498029 836772312 /nfs/dbraw/zinc/77/23/12/836772312.db2.gz JVSCSCOIOSFLRZ-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@H](C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063498029 836772318 /nfs/dbraw/zinc/77/23/18/836772318.db2.gz JVSCSCOIOSFLRZ-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3CC[NH+](C)CC3)CCC2)CC[N@H+]1C ZINC001063518195 836774269 /nfs/dbraw/zinc/77/42/69/836774269.db2.gz ARXDEPAFBMANQW-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476181 844199816 /nfs/dbraw/zinc/19/98/16/844199816.db2.gz HCASSYDOVZHONV-CLCXKQKWSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476181 844199820 /nfs/dbraw/zinc/19/98/20/844199820.db2.gz HCASSYDOVZHONV-CLCXKQKWSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101476181 844199824 /nfs/dbraw/zinc/19/98/24/844199824.db2.gz HCASSYDOVZHONV-CLCXKQKWSA-N 2 1 350.507 0.774 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207035 836822349 /nfs/dbraw/zinc/82/23/49/836822349.db2.gz OOEBPCIPFBNYGT-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207035 836822353 /nfs/dbraw/zinc/82/23/53/836822353.db2.gz OOEBPCIPFBNYGT-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065207035 836822358 /nfs/dbraw/zinc/82/23/58/836822358.db2.gz OOEBPCIPFBNYGT-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001075433833 837842792 /nfs/dbraw/zinc/84/27/92/837842792.db2.gz BPSALDNNOZZNBH-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001075433833 837842804 /nfs/dbraw/zinc/84/28/04/837842804.db2.gz BPSALDNNOZZNBH-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001075943326 837930515 /nfs/dbraw/zinc/93/05/15/837930515.db2.gz LGSHQEGOMRATCV-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001076206241 837969922 /nfs/dbraw/zinc/96/99/22/837969922.db2.gz FZGKPSJNXSKYRZ-BHYGNILZSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001076206241 837969928 /nfs/dbraw/zinc/96/99/28/837969928.db2.gz FZGKPSJNXSKYRZ-BHYGNILZSA-N 2 1 369.531 0.296 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001076253644 837975724 /nfs/dbraw/zinc/97/57/24/837975724.db2.gz PUGXLEVKBKBRSP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001076253644 837975728 /nfs/dbraw/zinc/97/57/28/837975728.db2.gz PUGXLEVKBKBRSP-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1)C1CC1 ZINC001101815769 844279504 /nfs/dbraw/zinc/27/95/04/844279504.db2.gz RUVXKEVEBSPRPE-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1)C1CC1 ZINC001101815769 844279515 /nfs/dbraw/zinc/27/95/15/844279515.db2.gz RUVXKEVEBSPRPE-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1)C1CC1 ZINC001101815769 844279522 /nfs/dbraw/zinc/27/95/22/844279522.db2.gz RUVXKEVEBSPRPE-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077081741 838717524 /nfs/dbraw/zinc/71/75/24/838717524.db2.gz IAYIWHYVHIBFAP-NWANDNLSSA-N 2 1 353.488 0.621 20 0 FCADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077081741 838717531 /nfs/dbraw/zinc/71/75/31/838717531.db2.gz IAYIWHYVHIBFAP-NWANDNLSSA-N 2 1 353.488 0.621 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219795 838821958 /nfs/dbraw/zinc/82/19/58/838821958.db2.gz YQPZXLPDRRPMDT-BRWVUGGUSA-N 2 1 351.491 0.450 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015890 844374827 /nfs/dbraw/zinc/37/48/27/844374827.db2.gz URYWWTRKVNUFLE-BZUAXINKSA-N 2 1 358.502 0.829 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001102015710 844375563 /nfs/dbraw/zinc/37/55/63/844375563.db2.gz ORWWPWAGQPWZGM-IIAWOOMASA-N 2 1 354.474 0.679 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299465 838887062 /nfs/dbraw/zinc/88/70/62/838887062.db2.gz CORBAFRWSOJHOH-GVDBMIGSSA-N 2 1 351.491 0.735 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566892 839040994 /nfs/dbraw/zinc/04/09/94/839040994.db2.gz RXKQAXAXXMSBAF-BRWVUGGUSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566892 839040996 /nfs/dbraw/zinc/04/09/96/839040996.db2.gz RXKQAXAXXMSBAF-BRWVUGGUSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566892 839041036 /nfs/dbraw/zinc/04/10/36/839041036.db2.gz RXKQAXAXXMSBAF-BRWVUGGUSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001077566892 839041054 /nfs/dbraw/zinc/04/10/54/839041054.db2.gz RXKQAXAXXMSBAF-BRWVUGGUSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102045161 844395013 /nfs/dbraw/zinc/39/50/13/844395013.db2.gz USPNYGFTNFDYJK-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102045161 844395019 /nfs/dbraw/zinc/39/50/19/844395019.db2.gz USPNYGFTNFDYJK-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102045161 844395021 /nfs/dbraw/zinc/39/50/21/844395021.db2.gz USPNYGFTNFDYJK-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001077618750 839072339 /nfs/dbraw/zinc/07/23/39/839072339.db2.gz RVDLJDHNKNHVJS-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048724 844396370 /nfs/dbraw/zinc/39/63/70/844396370.db2.gz MQSXVFQSJUNAQE-QGPMSJSTSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051627 844397763 /nfs/dbraw/zinc/39/77/63/844397763.db2.gz BFBCAGNOSGLYRA-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051627 844397769 /nfs/dbraw/zinc/39/77/69/844397769.db2.gz BFBCAGNOSGLYRA-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051627 844397776 /nfs/dbraw/zinc/39/77/76/844397776.db2.gz BFBCAGNOSGLYRA-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102103239 844415070 /nfs/dbraw/zinc/41/50/70/844415070.db2.gz KIQPYSBPHDGURZ-CHWSQXEVSA-N 2 1 352.483 0.023 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102103239 844415073 /nfs/dbraw/zinc/41/50/73/844415073.db2.gz KIQPYSBPHDGURZ-CHWSQXEVSA-N 2 1 352.483 0.023 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102103239 844415078 /nfs/dbraw/zinc/41/50/78/844415078.db2.gz KIQPYSBPHDGURZ-CHWSQXEVSA-N 2 1 352.483 0.023 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102101310 844415469 /nfs/dbraw/zinc/41/54/69/844415469.db2.gz XJTYIVVTWBQQKQ-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102101310 844415474 /nfs/dbraw/zinc/41/54/74/844415474.db2.gz XJTYIVVTWBQQKQ-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102101310 844415481 /nfs/dbraw/zinc/41/54/81/844415481.db2.gz XJTYIVVTWBQQKQ-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102157964 844431727 /nfs/dbraw/zinc/43/17/27/844431727.db2.gz XATCRVGZVIEFEA-SQWLQELKSA-N 2 1 370.519 0.556 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102157964 844431732 /nfs/dbraw/zinc/43/17/32/844431732.db2.gz XATCRVGZVIEFEA-SQWLQELKSA-N 2 1 370.519 0.556 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209694 839404918 /nfs/dbraw/zinc/40/49/18/839404918.db2.gz KTFKRFYIBGMCTA-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209694 839404923 /nfs/dbraw/zinc/40/49/23/839404923.db2.gz KTFKRFYIBGMCTA-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209694 839404929 /nfs/dbraw/zinc/40/49/29/839404929.db2.gz KTFKRFYIBGMCTA-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209694 839404935 /nfs/dbraw/zinc/40/49/35/839404935.db2.gz KTFKRFYIBGMCTA-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171461 844434066 /nfs/dbraw/zinc/43/40/66/844434066.db2.gz YXIVGCIUKLOWJB-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171461 844434069 /nfs/dbraw/zinc/43/40/69/844434069.db2.gz YXIVGCIUKLOWJB-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171461 844434074 /nfs/dbraw/zinc/43/40/74/844434074.db2.gz YXIVGCIUKLOWJB-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273788 839504867 /nfs/dbraw/zinc/50/48/67/839504867.db2.gz QIFGVYSBVONPJC-YESZJQIVSA-N 2 1 351.491 0.524 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017245 839646868 /nfs/dbraw/zinc/64/68/68/839646868.db2.gz CKVBWGMCJGZTGI-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017245 839646872 /nfs/dbraw/zinc/64/68/72/839646872.db2.gz CKVBWGMCJGZTGI-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017245 839646879 /nfs/dbraw/zinc/64/68/79/839646879.db2.gz CKVBWGMCJGZTGI-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017245 839646883 /nfs/dbraw/zinc/64/68/83/839646883.db2.gz CKVBWGMCJGZTGI-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288800 844458695 /nfs/dbraw/zinc/45/86/95/844458695.db2.gz WBXBKNSVCAOGOD-HZPDHXFCSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287300 844458768 /nfs/dbraw/zinc/45/87/68/844458768.db2.gz XFWNETOHWDBWGM-GDBMZVCRSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254319 839691741 /nfs/dbraw/zinc/69/17/41/839691741.db2.gz SJPBQMZATHAGKL-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254319 839691744 /nfs/dbraw/zinc/69/17/44/839691744.db2.gz SJPBQMZATHAGKL-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254795 839692026 /nfs/dbraw/zinc/69/20/26/839692026.db2.gz GUMGYPGTUBGLPJ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312986 844464563 /nfs/dbraw/zinc/46/45/63/844464563.db2.gz XWQNHNDBMYMFTH-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CO[C@H](C)c1noc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102314607 844464844 /nfs/dbraw/zinc/46/48/44/844464844.db2.gz ROHKHGGPAACRID-MGPQQGTHSA-N 2 1 353.467 0.913 20 0 FCADMP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102314607 844464846 /nfs/dbraw/zinc/46/48/46/844464846.db2.gz ROHKHGGPAACRID-MGPQQGTHSA-N 2 1 353.467 0.913 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080789045 839800906 /nfs/dbraw/zinc/80/09/06/839800906.db2.gz OHFVLKKCSMRKQP-UKRRQHHQSA-N 2 1 364.515 0.751 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848201 840063730 /nfs/dbraw/zinc/06/37/30/840063730.db2.gz RJUDQHWRMXZHSH-NMFUWQPSSA-N 2 1 361.433 0.566 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848201 840063737 /nfs/dbraw/zinc/06/37/37/840063737.db2.gz RJUDQHWRMXZHSH-NMFUWQPSSA-N 2 1 361.433 0.566 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848201 840063742 /nfs/dbraw/zinc/06/37/42/840063742.db2.gz RJUDQHWRMXZHSH-NMFUWQPSSA-N 2 1 361.433 0.566 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848201 840063752 /nfs/dbraw/zinc/06/37/52/840063752.db2.gz RJUDQHWRMXZHSH-NMFUWQPSSA-N 2 1 361.433 0.566 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959834 840123945 /nfs/dbraw/zinc/12/39/45/840123945.db2.gz ZSDQBWIPAUXSGY-RVKOJVRFSA-N 2 1 351.491 0.711 20 0 FCADMP CO[C@@H]1C[NH+](CCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959834 840123979 /nfs/dbraw/zinc/12/39/79/840123979.db2.gz ZSDQBWIPAUXSGY-RVKOJVRFSA-N 2 1 351.491 0.711 20 0 FCADMP CO[C@@H]1C[NH+](CCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959834 840123985 /nfs/dbraw/zinc/12/39/85/840123985.db2.gz ZSDQBWIPAUXSGY-RVKOJVRFSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468600 844510783 /nfs/dbraw/zinc/51/07/83/844510783.db2.gz QDORJXQDLMAKEP-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468600 844510785 /nfs/dbraw/zinc/51/07/85/844510785.db2.gz QDORJXQDLMAKEP-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092479 840181514 /nfs/dbraw/zinc/18/15/14/840181514.db2.gz AHVMAMFSHAYNPP-IAGOWNOFSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092479 840181522 /nfs/dbraw/zinc/18/15/22/840181522.db2.gz AHVMAMFSHAYNPP-IAGOWNOFSA-N 2 1 350.463 0.949 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102475241 844516211 /nfs/dbraw/zinc/51/62/11/844516211.db2.gz FRMKYDIELXPXAI-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479731 844518776 /nfs/dbraw/zinc/51/87/76/844518776.db2.gz DXZNFZXBFRBHHC-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102487008 844523922 /nfs/dbraw/zinc/52/39/22/844523922.db2.gz GNZWZPQJDVUCJQ-IXDOHACOSA-N 2 1 353.507 0.818 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CCC1 ZINC001082329066 840313271 /nfs/dbraw/zinc/31/32/71/840313271.db2.gz ZJZKSRLHSFSEHU-BRWVUGGUSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328805 840313348 /nfs/dbraw/zinc/31/33/48/840313348.db2.gz MMASCRNIPSFOOZ-BZUAXINKSA-N 2 1 351.491 0.713 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102497480 844530416 /nfs/dbraw/zinc/53/04/16/844530416.db2.gz VETOVRXUUDOROP-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102497480 844530422 /nfs/dbraw/zinc/53/04/22/844530422.db2.gz VETOVRXUUDOROP-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102497480 844530427 /nfs/dbraw/zinc/53/04/27/844530427.db2.gz VETOVRXUUDOROP-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497488 844530830 /nfs/dbraw/zinc/53/08/30/844530830.db2.gz VIBWUFSKLGQSFK-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497488 844530836 /nfs/dbraw/zinc/53/08/36/844530836.db2.gz VIBWUFSKLGQSFK-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497488 844530841 /nfs/dbraw/zinc/53/08/41/844530841.db2.gz VIBWUFSKLGQSFK-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497419 844531095 /nfs/dbraw/zinc/53/10/95/844531095.db2.gz RXVKBIAHEDAENV-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497419 844531097 /nfs/dbraw/zinc/53/10/97/844531097.db2.gz RXVKBIAHEDAENV-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497419 844531099 /nfs/dbraw/zinc/53/10/99/844531099.db2.gz RXVKBIAHEDAENV-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513755 844544646 /nfs/dbraw/zinc/54/46/46/844544646.db2.gz AEVXYDFYPJBXTJ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513870 844544814 /nfs/dbraw/zinc/54/48/14/844544814.db2.gz DSYRIHMWUJYRHL-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513870 844544818 /nfs/dbraw/zinc/54/48/18/844544818.db2.gz DSYRIHMWUJYRHL-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513870 844544824 /nfs/dbraw/zinc/54/48/24/844544824.db2.gz DSYRIHMWUJYRHL-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703225 840531038 /nfs/dbraw/zinc/53/10/38/840531038.db2.gz FFLSVKIEKCQAQW-YUELXQCFSA-N 2 1 367.519 0.892 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703225 840531044 /nfs/dbraw/zinc/53/10/44/840531044.db2.gz FFLSVKIEKCQAQW-YUELXQCFSA-N 2 1 367.519 0.892 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741744 840542673 /nfs/dbraw/zinc/54/26/73/840542673.db2.gz AHHUIVZCZCEIKJ-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741110 840543515 /nfs/dbraw/zinc/54/35/15/840543515.db2.gz PWBOJZVJFLMCTC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082743710 840544336 /nfs/dbraw/zinc/54/43/36/840544336.db2.gz WVUFFQHIQBJCNC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524668 844551432 /nfs/dbraw/zinc/55/14/32/844551432.db2.gz QCYKPRNZELXYPW-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524668 844551438 /nfs/dbraw/zinc/55/14/38/844551438.db2.gz QCYKPRNZELXYPW-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524668 844551442 /nfs/dbraw/zinc/55/14/42/844551442.db2.gz QCYKPRNZELXYPW-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807968 840569668 /nfs/dbraw/zinc/56/96/68/840569668.db2.gz NJVFHRLTHLJUIW-RHSMWYFYSA-N 2 1 350.463 0.896 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082828180 840577140 /nfs/dbraw/zinc/57/71/40/840577140.db2.gz XCAJSGWIYNZRIA-MLGOLLRUSA-N 2 1 351.451 0.425 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102525137 844553077 /nfs/dbraw/zinc/55/30/77/844553077.db2.gz MPOPKBSBUKAQLD-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102525137 844553085 /nfs/dbraw/zinc/55/30/85/844553085.db2.gz MPOPKBSBUKAQLD-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102525137 844553089 /nfs/dbraw/zinc/55/30/89/844553089.db2.gz MPOPKBSBUKAQLD-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106602 840715464 /nfs/dbraw/zinc/71/54/64/840715464.db2.gz LWKOXRVFBCITHZ-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106602 840715468 /nfs/dbraw/zinc/71/54/68/840715468.db2.gz LWKOXRVFBCITHZ-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC001083106602 840715476 /nfs/dbraw/zinc/71/54/76/840715476.db2.gz LWKOXRVFBCITHZ-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578385 844572798 /nfs/dbraw/zinc/57/27/98/844572798.db2.gz ZNSNEMGWCKLTFZ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578385 844572799 /nfs/dbraw/zinc/57/27/99/844572799.db2.gz ZNSNEMGWCKLTFZ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578385 844572802 /nfs/dbraw/zinc/57/28/02/844572802.db2.gz ZNSNEMGWCKLTFZ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102579058 844573165 /nfs/dbraw/zinc/57/31/65/844573165.db2.gz GPQRTTGNPRFKGK-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102579058 844573175 /nfs/dbraw/zinc/57/31/75/844573175.db2.gz GPQRTTGNPRFKGK-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578145 844573601 /nfs/dbraw/zinc/57/36/01/844573601.db2.gz NRYBXFXGOHWZLA-OWCLPIDISA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578145 844573608 /nfs/dbraw/zinc/57/36/08/844573608.db2.gz NRYBXFXGOHWZLA-OWCLPIDISA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578145 844573614 /nfs/dbraw/zinc/57/36/14/844573614.db2.gz NRYBXFXGOHWZLA-OWCLPIDISA-N 2 1 352.523 0.785 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1)OC ZINC001083224878 840812934 /nfs/dbraw/zinc/81/29/34/840812934.db2.gz UZJIJJRIKUZBGF-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP CC[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1)OC ZINC001083224878 840812946 /nfs/dbraw/zinc/81/29/46/840812946.db2.gz UZJIJJRIKUZBGF-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102600067 844591147 /nfs/dbraw/zinc/59/11/47/844591147.db2.gz KNDSRARNGXJPJP-ZACQAIPSSA-N 2 1 351.495 0.268 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102600067 844591152 /nfs/dbraw/zinc/59/11/52/844591152.db2.gz KNDSRARNGXJPJP-ZACQAIPSSA-N 2 1 351.495 0.268 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102600067 844591154 /nfs/dbraw/zinc/59/11/54/844591154.db2.gz KNDSRARNGXJPJP-ZACQAIPSSA-N 2 1 351.495 0.268 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466448 841038112 /nfs/dbraw/zinc/03/81/12/841038112.db2.gz VAUUNLNARWKCJP-OAGGEKHMSA-N 2 1 364.515 0.497 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472917 841047039 /nfs/dbraw/zinc/04/70/39/841047039.db2.gz WZXWNYYXNIHZEE-CUBALJKWSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472917 841047049 /nfs/dbraw/zinc/04/70/49/841047049.db2.gz WZXWNYYXNIHZEE-CUBALJKWSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472917 841047058 /nfs/dbraw/zinc/04/70/58/841047058.db2.gz WZXWNYYXNIHZEE-CUBALJKWSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472917 841047063 /nfs/dbraw/zinc/04/70/63/841047063.db2.gz WZXWNYYXNIHZEE-CUBALJKWSA-N 2 1 352.504 0.761 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523337 841121692 /nfs/dbraw/zinc/12/16/92/841121692.db2.gz ZBQOSRZVMZDCHR-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523337 841121696 /nfs/dbraw/zinc/12/16/96/841121696.db2.gz ZBQOSRZVMZDCHR-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523337 841121703 /nfs/dbraw/zinc/12/17/03/841121703.db2.gz ZBQOSRZVMZDCHR-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523337 841121712 /nfs/dbraw/zinc/12/17/12/841121712.db2.gz ZBQOSRZVMZDCHR-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563417 841172994 /nfs/dbraw/zinc/17/29/94/841172994.db2.gz OISKGEKAEUXAOV-SJORKVTESA-N 2 1 351.491 0.450 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563310 841173091 /nfs/dbraw/zinc/17/30/91/841173091.db2.gz JBJXEDPCUHXOIW-BBWFWOEESA-N 2 1 351.491 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2O)O1 ZINC001083566374 841177028 /nfs/dbraw/zinc/17/70/28/841177028.db2.gz GSJDTRFIPRDSBP-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2O)O1 ZINC001083566374 841177034 /nfs/dbraw/zinc/17/70/34/841177034.db2.gz GSJDTRFIPRDSBP-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2O)O1 ZINC001083566374 841177038 /nfs/dbraw/zinc/17/70/38/841177038.db2.gz GSJDTRFIPRDSBP-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2O)O1 ZINC001083566374 841177044 /nfs/dbraw/zinc/17/70/44/841177044.db2.gz GSJDTRFIPRDSBP-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2O)O1 ZINC001083566691 841178517 /nfs/dbraw/zinc/17/85/17/841178517.db2.gz WXXXMYRXCILLON-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2O)O1 ZINC001083566691 841178522 /nfs/dbraw/zinc/17/85/22/841178522.db2.gz WXXXMYRXCILLON-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2O)O1 ZINC001083566691 841178527 /nfs/dbraw/zinc/17/85/27/841178527.db2.gz WXXXMYRXCILLON-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2O)O1 ZINC001083566691 841178528 /nfs/dbraw/zinc/17/85/28/841178528.db2.gz WXXXMYRXCILLON-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602436 841222589 /nfs/dbraw/zinc/22/25/89/841222589.db2.gz VBHRXZZLJLFQIS-CABCVRRESA-N 2 1 350.488 0.475 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602436 841222597 /nfs/dbraw/zinc/22/25/97/841222597.db2.gz VBHRXZZLJLFQIS-CABCVRRESA-N 2 1 350.488 0.475 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654827 841280971 /nfs/dbraw/zinc/28/09/71/841280971.db2.gz IOWCNNMLFGTGBR-ASLPWWTFSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654827 841280983 /nfs/dbraw/zinc/28/09/83/841280983.db2.gz IOWCNNMLFGTGBR-ASLPWWTFSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654827 841280996 /nfs/dbraw/zinc/28/09/96/841280996.db2.gz IOWCNNMLFGTGBR-ASLPWWTFSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083825818 841466789 /nfs/dbraw/zinc/46/67/89/841466789.db2.gz MARNVUXFCJIIMC-OAGGEKHMSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083825818 841466792 /nfs/dbraw/zinc/46/67/92/841466792.db2.gz MARNVUXFCJIIMC-OAGGEKHMSA-N 2 1 350.463 0.594 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083887818 841536793 /nfs/dbraw/zinc/53/67/93/841536793.db2.gz MQUHNHBNZQBYSQ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083887818 841536802 /nfs/dbraw/zinc/53/68/02/841536802.db2.gz MQUHNHBNZQBYSQ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083908411 841555680 /nfs/dbraw/zinc/55/56/80/841555680.db2.gz BIXZQOFKGXMMKF-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)s1 ZINC001083952974 841598200 /nfs/dbraw/zinc/59/82/00/841598200.db2.gz BVNNYFAPYVDFNC-ZNMIVQPWSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)s1 ZINC001083952974 841598211 /nfs/dbraw/zinc/59/82/11/841598211.db2.gz BVNNYFAPYVDFNC-ZNMIVQPWSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)s1 ZINC001083952974 841598222 /nfs/dbraw/zinc/59/82/22/841598222.db2.gz BVNNYFAPYVDFNC-ZNMIVQPWSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)s1 ZINC001083952974 841598230 /nfs/dbraw/zinc/59/82/30/841598230.db2.gz BVNNYFAPYVDFNC-ZNMIVQPWSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)s1 ZINC001083952973 841598591 /nfs/dbraw/zinc/59/85/91/841598591.db2.gz BVNNYFAPYVDFNC-KFWWJZLASA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)s1 ZINC001083952973 841598599 /nfs/dbraw/zinc/59/85/99/841598599.db2.gz BVNNYFAPYVDFNC-KFWWJZLASA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)s1 ZINC001083952973 841598605 /nfs/dbraw/zinc/59/86/05/841598605.db2.gz BVNNYFAPYVDFNC-KFWWJZLASA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)s1 ZINC001083952973 841598608 /nfs/dbraw/zinc/59/86/08/841598608.db2.gz BVNNYFAPYVDFNC-KFWWJZLASA-N 2 1 352.504 0.763 20 0 FCADMP CC(=O)[C@@H](C)N1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833362 861218891 /nfs/dbraw/zinc/21/88/91/861218891.db2.gz CIULDASTJJPPSJ-BEFAXECRSA-N 2 1 351.491 0.999 20 0 FCADMP COC(CN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2)OC ZINC001275833360 861219159 /nfs/dbraw/zinc/21/91/59/861219159.db2.gz CGQGCQXDIKVYPR-UHFFFAOYSA-N 2 1 355.479 0.250 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2)C(N)=O ZINC001275881271 861246724 /nfs/dbraw/zinc/24/67/24/861246724.db2.gz YRBTUSCSYVIOBR-JYJNAYRXSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001084722290 841899943 /nfs/dbraw/zinc/89/99/43/841899943.db2.gz IKKFNFYYSDDDDD-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001084722290 841899950 /nfs/dbraw/zinc/89/99/50/841899950.db2.gz IKKFNFYYSDDDDD-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941731 841961847 /nfs/dbraw/zinc/96/18/47/841961847.db2.gz ZPLOVMXXWJQMGX-IKGGRYGDSA-N 2 1 369.531 0.296 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941731 841961856 /nfs/dbraw/zinc/96/18/56/841961856.db2.gz ZPLOVMXXWJQMGX-IKGGRYGDSA-N 2 1 369.531 0.296 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958322 841969058 /nfs/dbraw/zinc/96/90/58/841969058.db2.gz VOMUBWQCSBBBBH-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958322 841969064 /nfs/dbraw/zinc/96/90/64/841969064.db2.gz VOMUBWQCSBBBBH-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958322 841969073 /nfs/dbraw/zinc/96/90/73/841969073.db2.gz VOMUBWQCSBBBBH-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014200 841990745 /nfs/dbraw/zinc/99/07/45/841990745.db2.gz KXRGGYJGPNIJGV-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014200 841990750 /nfs/dbraw/zinc/99/07/50/841990750.db2.gz KXRGGYJGPNIJGV-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014200 841990752 /nfs/dbraw/zinc/99/07/52/841990752.db2.gz KXRGGYJGPNIJGV-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001085035744 841996894 /nfs/dbraw/zinc/99/68/94/841996894.db2.gz OTAGTYXUNMMECV-PMPSAXMXSA-N 2 1 351.495 0.275 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074735 842006444 /nfs/dbraw/zinc/00/64/44/842006444.db2.gz AIQHFBXNZQZYBT-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074735 842006456 /nfs/dbraw/zinc/00/64/56/842006456.db2.gz AIQHFBXNZQZYBT-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074735 842006468 /nfs/dbraw/zinc/00/64/68/842006468.db2.gz AIQHFBXNZQZYBT-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074735 842006481 /nfs/dbraw/zinc/00/64/81/842006481.db2.gz AIQHFBXNZQZYBT-XHSDSOJGSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCCC1 ZINC001085101196 842019067 /nfs/dbraw/zinc/01/90/67/842019067.db2.gz CKWNEZKMLFEXAY-RYRKJORJSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)[NH+]1CCCCC1 ZINC001085101196 842019078 /nfs/dbraw/zinc/01/90/78/842019078.db2.gz CKWNEZKMLFEXAY-RYRKJORJSA-N 2 1 350.507 0.905 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085224801 842051292 /nfs/dbraw/zinc/05/12/92/842051292.db2.gz WICGNKGYGBGDNO-BZUAXINKSA-N 2 1 352.479 0.132 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085331892 842079002 /nfs/dbraw/zinc/07/90/02/842079002.db2.gz CPWBCLBCNIKUAG-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085393837 842091971 /nfs/dbraw/zinc/09/19/71/842091971.db2.gz MLDJMPZLKDKYRK-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001085421872 842097722 /nfs/dbraw/zinc/09/77/22/842097722.db2.gz ACBXVGMTQXFAJA-MGPQQGTHSA-N 2 1 350.467 0.604 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001085421872 842097735 /nfs/dbraw/zinc/09/77/35/842097735.db2.gz ACBXVGMTQXFAJA-MGPQQGTHSA-N 2 1 350.467 0.604 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085429224 842102784 /nfs/dbraw/zinc/10/27/84/842102784.db2.gz KZSUSIVKZSMGLP-OAGGEKHMSA-N 2 1 350.467 0.053 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085429224 842102790 /nfs/dbraw/zinc/10/27/90/842102790.db2.gz KZSUSIVKZSMGLP-OAGGEKHMSA-N 2 1 350.467 0.053 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001086120995 842123695 /nfs/dbraw/zinc/12/36/95/842123695.db2.gz XDQNBKQAFBHNFC-UTJXIGIESA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001086120995 842123706 /nfs/dbraw/zinc/12/37/06/842123706.db2.gz XDQNBKQAFBHNFC-UTJXIGIESA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001086370826 842128743 /nfs/dbraw/zinc/12/87/43/842128743.db2.gz AVTBWZAMSJBDLN-AAVRWANBSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001086370826 842128745 /nfs/dbraw/zinc/12/87/45/842128745.db2.gz AVTBWZAMSJBDLN-AAVRWANBSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001086700094 842154133 /nfs/dbraw/zinc/15/41/33/842154133.db2.gz WWUXWMDPWBLWOL-QKPAOTATSA-N 2 1 351.495 0.226 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087059543 842255688 /nfs/dbraw/zinc/25/56/88/842255688.db2.gz KXBZCBLYDUDWSV-CZUORRHYSA-N 2 1 351.451 0.507 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083595 842276532 /nfs/dbraw/zinc/27/65/32/842276532.db2.gz MJZABJWCHRYMSG-IIAWOOMASA-N 2 1 351.451 0.507 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087096346 842286859 /nfs/dbraw/zinc/28/68/59/842286859.db2.gz JLLCIZIIYAAPCM-BFYDXBDKSA-N 2 1 350.463 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087100884 842288803 /nfs/dbraw/zinc/28/88/03/842288803.db2.gz JKVDBLJFJCCEKK-GZBFAFLISA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087100884 842288813 /nfs/dbraw/zinc/28/88/13/842288813.db2.gz JKVDBLJFJCCEKK-GZBFAFLISA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087100268 842289716 /nfs/dbraw/zinc/28/97/16/842289716.db2.gz MRQWFIDTKVWQNU-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087101574 842291503 /nfs/dbraw/zinc/29/15/03/842291503.db2.gz RGCHQDPHKQLXKF-UKRRQHHQSA-N 2 1 364.475 0.696 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087213066 842319644 /nfs/dbraw/zinc/31/96/44/842319644.db2.gz CTGUNJLASZOMBX-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064584 842521289 /nfs/dbraw/zinc/52/12/89/842521289.db2.gz LSWNEROPPOYTFB-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211707 842563665 /nfs/dbraw/zinc/56/36/65/842563665.db2.gz VZXPONULYXYIRH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCN1CCCC1=O ZINC001088939766 842723410 /nfs/dbraw/zinc/72/34/10/842723410.db2.gz ISSBUNXZZSDCCW-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088983653 842735814 /nfs/dbraw/zinc/73/58/14/842735814.db2.gz IDJMCLNJQXHLEF-KFWWJZLASA-N 2 1 355.504 0.096 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088983653 842735822 /nfs/dbraw/zinc/73/58/22/842735822.db2.gz IDJMCLNJQXHLEF-KFWWJZLASA-N 2 1 355.504 0.096 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCCCC1 ZINC001089037503 842750007 /nfs/dbraw/zinc/75/00/07/842750007.db2.gz HGZFDVMFJVMSQA-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCCCC1 ZINC001089037503 842750015 /nfs/dbraw/zinc/75/00/15/842750015.db2.gz HGZFDVMFJVMSQA-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCCCC1 ZINC001089037503 842750018 /nfs/dbraw/zinc/75/00/18/842750018.db2.gz HGZFDVMFJVMSQA-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCCCC1 ZINC001089037503 842750026 /nfs/dbraw/zinc/75/00/26/842750026.db2.gz HGZFDVMFJVMSQA-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001091096654 842960161 /nfs/dbraw/zinc/96/01/61/842960161.db2.gz XDQNBKQAFBHNFC-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001091096654 842960165 /nfs/dbraw/zinc/96/01/65/842960165.db2.gz XDQNBKQAFBHNFC-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758818 843088885 /nfs/dbraw/zinc/08/88/85/843088885.db2.gz MAAULHFPQJRJCU-LJHODMEESA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014924 843140671 /nfs/dbraw/zinc/14/06/71/843140671.db2.gz GYVDVPRRZSBVHG-VCBZYWHSSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014924 843140676 /nfs/dbraw/zinc/14/06/76/843140676.db2.gz GYVDVPRRZSBVHG-VCBZYWHSSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014924 843140678 /nfs/dbraw/zinc/14/06/78/843140678.db2.gz GYVDVPRRZSBVHG-VCBZYWHSSA-N 2 1 350.507 0.763 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145905 843164098 /nfs/dbraw/zinc/16/40/98/843164098.db2.gz VOFKIWDDSKOFGE-MDZRGWNJSA-N 2 1 353.507 0.912 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190073 843168493 /nfs/dbraw/zinc/16/84/93/843168493.db2.gz MPSKHWRMQMLEAF-GJYPPUQNSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190073 843168497 /nfs/dbraw/zinc/16/84/97/843168497.db2.gz MPSKHWRMQMLEAF-GJYPPUQNSA-N 2 1 350.507 0.907 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001092190073 843168501 /nfs/dbraw/zinc/16/85/01/843168501.db2.gz MPSKHWRMQMLEAF-GJYPPUQNSA-N 2 1 350.507 0.907 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521869 843228693 /nfs/dbraw/zinc/22/86/93/843228693.db2.gz FYMFSPLGOXOAPP-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521869 843228703 /nfs/dbraw/zinc/22/87/03/843228703.db2.gz FYMFSPLGOXOAPP-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521869 843228714 /nfs/dbraw/zinc/22/87/14/843228714.db2.gz FYMFSPLGOXOAPP-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521869 843228724 /nfs/dbraw/zinc/22/87/24/843228724.db2.gz FYMFSPLGOXOAPP-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604669 843249185 /nfs/dbraw/zinc/24/91/85/843249185.db2.gz OJYQQWDEWAADRB-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604669 843249192 /nfs/dbraw/zinc/24/91/92/843249192.db2.gz OJYQQWDEWAADRB-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092604669 843249199 /nfs/dbraw/zinc/24/91/99/843249199.db2.gz OJYQQWDEWAADRB-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)CC[NH+]1C ZINC001092621232 843255370 /nfs/dbraw/zinc/25/53/70/843255370.db2.gz WNBLFKYKDDNKBF-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001092621232 843255379 /nfs/dbraw/zinc/25/53/79/843255379.db2.gz WNBLFKYKDDNKBF-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)CC[N@H+]1C ZINC001092621232 843255387 /nfs/dbraw/zinc/25/53/87/843255387.db2.gz WNBLFKYKDDNKBF-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092910144 843337559 /nfs/dbraw/zinc/33/75/59/843337559.db2.gz VNQZLHAYFLBWDJ-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001092910144 843337572 /nfs/dbraw/zinc/33/75/72/843337572.db2.gz VNQZLHAYFLBWDJ-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001092910144 843337584 /nfs/dbraw/zinc/33/75/84/843337584.db2.gz VNQZLHAYFLBWDJ-LTIDMASMSA-N 2 1 350.507 0.633 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309625 861405980 /nfs/dbraw/zinc/40/59/80/861405980.db2.gz YYNILLVZKFQRHG-HKUYNNGSSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969071 843356292 /nfs/dbraw/zinc/35/62/92/843356292.db2.gz HCRICOFOGNUGFQ-RBSFLKMASA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969071 843356300 /nfs/dbraw/zinc/35/63/00/843356300.db2.gz HCRICOFOGNUGFQ-RBSFLKMASA-N 2 1 350.463 0.949 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093117199 843393824 /nfs/dbraw/zinc/39/38/24/843393824.db2.gz GYRWDLGRRNMOGU-RHSMWYFYSA-N 2 1 350.507 0.539 20 0 FCADMP CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093470602 843440279 /nfs/dbraw/zinc/44/02/79/843440279.db2.gz XHLGTCXQCFCWCB-FPAYPSAMSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690496 843455937 /nfs/dbraw/zinc/45/59/37/843455937.db2.gz YAEZTNSVFIRASX-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690496 843455941 /nfs/dbraw/zinc/45/59/41/843455941.db2.gz YAEZTNSVFIRASX-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)co1 ZINC001093857681 843479827 /nfs/dbraw/zinc/47/98/27/843479827.db2.gz RMJWUUJINKCVPA-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)co1 ZINC001093857681 843479834 /nfs/dbraw/zinc/47/98/34/843479834.db2.gz RMJWUUJINKCVPA-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](C)C2)C1 ZINC001093992609 843501002 /nfs/dbraw/zinc/50/10/02/843501002.db2.gz XSGFXSYRAMCPQW-BFYDXBDKSA-N 2 1 350.463 0.968 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccon3)[C@H](C)C2)C1 ZINC001093992609 843501013 /nfs/dbraw/zinc/50/10/13/843501013.db2.gz XSGFXSYRAMCPQW-BFYDXBDKSA-N 2 1 350.463 0.968 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)C1 ZINC001094232088 843535921 /nfs/dbraw/zinc/53/59/21/843535921.db2.gz MFHSKUCYRGZICX-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)C1 ZINC001094232088 843535930 /nfs/dbraw/zinc/53/59/30/843535930.db2.gz MFHSKUCYRGZICX-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)C1 ZINC001094232068 843536490 /nfs/dbraw/zinc/53/64/90/843536490.db2.gz LGPOMQCEBRLQDZ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)C1 ZINC001094232068 843536501 /nfs/dbraw/zinc/53/65/01/843536501.db2.gz LGPOMQCEBRLQDZ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293366 843543408 /nfs/dbraw/zinc/54/34/08/843543408.db2.gz LLRCEXUSOQCVCC-XJKCOSOUSA-N 2 1 352.458 0.839 20 0 FCADMP C[C@@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293366 843543414 /nfs/dbraw/zinc/54/34/14/843543414.db2.gz LLRCEXUSOQCVCC-XJKCOSOUSA-N 2 1 352.458 0.839 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450242 843555190 /nfs/dbraw/zinc/55/51/90/843555190.db2.gz HUNVFLILNWEXMZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450242 843555201 /nfs/dbraw/zinc/55/52/01/843555201.db2.gz HUNVFLILNWEXMZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450242 843555211 /nfs/dbraw/zinc/55/52/11/843555211.db2.gz HUNVFLILNWEXMZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)O1 ZINC001095611708 843741578 /nfs/dbraw/zinc/74/15/78/843741578.db2.gz XHDQOJIJDVMBES-UDCKQINGSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)O1 ZINC001095611708 843741586 /nfs/dbraw/zinc/74/15/86/843741586.db2.gz XHDQOJIJDVMBES-UDCKQINGSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC2CCC2)O1 ZINC001095611708 843741598 /nfs/dbraw/zinc/74/15/98/843741598.db2.gz XHDQOJIJDVMBES-UDCKQINGSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC2CCC2)O1 ZINC001095611708 843741605 /nfs/dbraw/zinc/74/16/05/843741605.db2.gz XHDQOJIJDVMBES-UDCKQINGSA-N 2 1 351.491 0.996 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001096584977 843807307 /nfs/dbraw/zinc/80/73/07/843807307.db2.gz ZTUUDJDAPIIBEI-UBDQQSCGSA-N 2 1 351.491 0.998 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001096584977 843807327 /nfs/dbraw/zinc/80/73/27/843807327.db2.gz ZTUUDJDAPIIBEI-UBDQQSCGSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC2CCC2)C1 ZINC001096584977 843807344 /nfs/dbraw/zinc/80/73/44/843807344.db2.gz ZTUUDJDAPIIBEI-UBDQQSCGSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC2CCC2)C1 ZINC001096584977 843807354 /nfs/dbraw/zinc/80/73/54/843807354.db2.gz ZTUUDJDAPIIBEI-UBDQQSCGSA-N 2 1 351.491 0.998 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001096914174 843832350 /nfs/dbraw/zinc/83/23/50/843832350.db2.gz JVLFYCPMCNQFBJ-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001096914174 843832359 /nfs/dbraw/zinc/83/23/59/843832359.db2.gz JVLFYCPMCNQFBJ-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCOCC2)C1 ZINC001096914174 843832364 /nfs/dbraw/zinc/83/23/64/843832364.db2.gz JVLFYCPMCNQFBJ-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCOCC2)C1 ZINC001096914174 843832370 /nfs/dbraw/zinc/83/23/70/843832370.db2.gz JVLFYCPMCNQFBJ-BDXSIMOUSA-N 2 1 351.491 0.855 20 0 FCADMP COCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404845 843914809 /nfs/dbraw/zinc/91/48/09/843914809.db2.gz VPWMKSSJVZWWEM-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP COCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404845 843914816 /nfs/dbraw/zinc/91/48/16/843914816.db2.gz VPWMKSSJVZWWEM-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP COCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404845 843914822 /nfs/dbraw/zinc/91/48/22/843914822.db2.gz VPWMKSSJVZWWEM-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP COCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404845 843914826 /nfs/dbraw/zinc/91/48/26/843914826.db2.gz VPWMKSSJVZWWEM-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001098447088 843920066 /nfs/dbraw/zinc/92/00/66/843920066.db2.gz YKXNOOIBADEQQG-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)C1 ZINC001098447088 843920070 /nfs/dbraw/zinc/92/00/70/843920070.db2.gz YKXNOOIBADEQQG-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)C1 ZINC001098447088 843920072 /nfs/dbraw/zinc/92/00/72/843920072.db2.gz YKXNOOIBADEQQG-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)C1 ZINC001098447088 843920073 /nfs/dbraw/zinc/92/00/73/843920073.db2.gz YKXNOOIBADEQQG-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C)C2 ZINC001098835001 843937943 /nfs/dbraw/zinc/93/79/43/843937943.db2.gz GGEAPNVYCYPLIC-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C)C2 ZINC001098835001 843937945 /nfs/dbraw/zinc/93/79/45/843937945.db2.gz GGEAPNVYCYPLIC-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001098835001 843937948 /nfs/dbraw/zinc/93/79/48/843937948.db2.gz GGEAPNVYCYPLIC-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001098835001 843937949 /nfs/dbraw/zinc/93/79/49/843937949.db2.gz GGEAPNVYCYPLIC-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875996 843943383 /nfs/dbraw/zinc/94/33/83/843943383.db2.gz YWTBRCUOWNNQEW-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875996 843943391 /nfs/dbraw/zinc/94/33/91/843943391.db2.gz YWTBRCUOWNNQEW-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875996 843943396 /nfs/dbraw/zinc/94/33/96/843943396.db2.gz YWTBRCUOWNNQEW-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)CC1 ZINC001099063355 843959183 /nfs/dbraw/zinc/95/91/83/843959183.db2.gz XURCTKFXKVOCEU-WMZOPIPTSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)CC1 ZINC001099063355 843959188 /nfs/dbraw/zinc/95/91/88/843959188.db2.gz XURCTKFXKVOCEU-WMZOPIPTSA-N 2 1 371.547 0.734 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223396 843979540 /nfs/dbraw/zinc/97/95/40/843979540.db2.gz PWZUXLPMXQZYDM-UPJWGTAASA-N 2 1 360.384 0.388 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223396 843979542 /nfs/dbraw/zinc/97/95/42/843979542.db2.gz PWZUXLPMXQZYDM-UPJWGTAASA-N 2 1 360.384 0.388 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099295867 844009380 /nfs/dbraw/zinc/00/93/80/844009380.db2.gz XEAAZALFKKVDRH-YNEHKIRRSA-N 2 1 364.412 0.573 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099295867 844009387 /nfs/dbraw/zinc/00/93/87/844009387.db2.gz XEAAZALFKKVDRH-YNEHKIRRSA-N 2 1 364.412 0.573 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819621 844652923 /nfs/dbraw/zinc/65/29/23/844652923.db2.gz XQGAFHAWUYVUBY-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819621 844652928 /nfs/dbraw/zinc/65/29/28/844652928.db2.gz XQGAFHAWUYVUBY-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819621 844652935 /nfs/dbraw/zinc/65/29/35/844652935.db2.gz XQGAFHAWUYVUBY-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819621 844652943 /nfs/dbraw/zinc/65/29/43/844652943.db2.gz XQGAFHAWUYVUBY-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994323 844682022 /nfs/dbraw/zinc/68/20/22/844682022.db2.gz YKKNMEBCIJHZEE-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103050136 844690275 /nfs/dbraw/zinc/69/02/75/844690275.db2.gz UCNSOOBDPNSSDK-BZUAXINKSA-N 2 1 358.502 0.877 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103140266 844706933 /nfs/dbraw/zinc/70/69/33/844706933.db2.gz VNYPONMYEPLDNA-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103156601 844712052 /nfs/dbraw/zinc/71/20/52/844712052.db2.gz MXQVIRPAMUXNHO-ZIAGYGMSSA-N 2 1 351.499 0.515 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103156601 844712060 /nfs/dbraw/zinc/71/20/60/844712060.db2.gz MXQVIRPAMUXNHO-ZIAGYGMSSA-N 2 1 351.499 0.515 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103156601 844712063 /nfs/dbraw/zinc/71/20/63/844712063.db2.gz MXQVIRPAMUXNHO-ZIAGYGMSSA-N 2 1 351.499 0.515 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103156601 844712068 /nfs/dbraw/zinc/71/20/68/844712068.db2.gz MXQVIRPAMUXNHO-ZIAGYGMSSA-N 2 1 351.499 0.515 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001103398482 844750706 /nfs/dbraw/zinc/75/07/06/844750706.db2.gz UYRJIGLBACSCJA-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397019 844751103 /nfs/dbraw/zinc/75/11/03/844751103.db2.gz VCILLAMNEOBYEX-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433951 844757590 /nfs/dbraw/zinc/75/75/90/844757590.db2.gz OTRUJFCVLINWCJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433951 844757594 /nfs/dbraw/zinc/75/75/94/844757594.db2.gz OTRUJFCVLINWCJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433951 844757596 /nfs/dbraw/zinc/75/75/96/844757596.db2.gz OTRUJFCVLINWCJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436375 844757910 /nfs/dbraw/zinc/75/79/10/844757910.db2.gz VPPUOSUQPLLUDU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436375 844757918 /nfs/dbraw/zinc/75/79/18/844757918.db2.gz VPPUOSUQPLLUDU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103436375 844757920 /nfs/dbraw/zinc/75/79/20/844757920.db2.gz VPPUOSUQPLLUDU-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103444811 844760177 /nfs/dbraw/zinc/76/01/77/844760177.db2.gz KIWOIGPPFZJHEE-OAGGEKHMSA-N 2 1 353.511 0.426 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570731 844781662 /nfs/dbraw/zinc/78/16/62/844781662.db2.gz CIHJAWBUFQZKNN-QZTJIDSGSA-N 2 1 355.523 0.801 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103612890 844787324 /nfs/dbraw/zinc/78/73/24/844787324.db2.gz ZWUIMYIKJBQKOF-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103612890 844787332 /nfs/dbraw/zinc/78/73/32/844787332.db2.gz ZWUIMYIKJBQKOF-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103612890 844787339 /nfs/dbraw/zinc/78/73/39/844787339.db2.gz ZWUIMYIKJBQKOF-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643819 844793309 /nfs/dbraw/zinc/79/33/09/844793309.db2.gz RWAHOLLXHFERHP-ZIAGYGMSSA-N 2 1 355.508 0.691 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723527 844808976 /nfs/dbraw/zinc/80/89/76/844808976.db2.gz OCMSYAKTCXVZOX-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103754530 844816873 /nfs/dbraw/zinc/81/68/73/844816873.db2.gz JPJGITLKIVLNHD-ZIAGYGMSSA-N 2 1 352.483 0.023 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103754530 844816877 /nfs/dbraw/zinc/81/68/77/844816877.db2.gz JPJGITLKIVLNHD-ZIAGYGMSSA-N 2 1 352.483 0.023 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103754530 844816882 /nfs/dbraw/zinc/81/68/82/844816882.db2.gz JPJGITLKIVLNHD-ZIAGYGMSSA-N 2 1 352.483 0.023 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001103999632 844852299 /nfs/dbraw/zinc/85/22/99/844852299.db2.gz FRGQYAZGBADVNP-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999998 844852419 /nfs/dbraw/zinc/85/24/19/844852419.db2.gz RILJZBZGERTKAN-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001104213784 844878604 /nfs/dbraw/zinc/87/86/04/844878604.db2.gz QCCOBCRMUQJZJV-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP CCOCCN1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630187 861507519 /nfs/dbraw/zinc/50/75/19/861507519.db2.gz LRYMAGKCMAAELN-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104347352 844895799 /nfs/dbraw/zinc/89/57/99/844895799.db2.gz WECHMQFZZRHLLI-IXYNUQLISA-N 2 1 367.519 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104347352 844895805 /nfs/dbraw/zinc/89/58/05/844895805.db2.gz WECHMQFZZRHLLI-IXYNUQLISA-N 2 1 367.519 0.831 20 0 FCADMP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433585 844911436 /nfs/dbraw/zinc/91/14/36/844911436.db2.gz MFBJUIOTAAGISV-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]C[C@@H]1CCOC1 ZINC001104795872 844944716 /nfs/dbraw/zinc/94/47/16/844944716.db2.gz YPDAAENEFFCCOJ-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001105010775 844968916 /nfs/dbraw/zinc/96/89/16/844968916.db2.gz ZCQWBGLBVCBDFD-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675495 845017060 /nfs/dbraw/zinc/01/70/60/845017060.db2.gz PSSAYDLYDNYXRB-PSBWJHGTSA-N 2 1 355.523 0.939 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941849 845064070 /nfs/dbraw/zinc/06/40/70/845064070.db2.gz NJFDONYHOLNJCT-BMFZPTHFSA-N 2 1 366.531 0.997 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248036 845143158 /nfs/dbraw/zinc/14/31/58/845143158.db2.gz HXLJYBYBENBSFA-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106665144 845218793 /nfs/dbraw/zinc/21/87/93/845218793.db2.gz JKLLNXJPISYQOW-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001106666335 845219139 /nfs/dbraw/zinc/21/91/39/845219139.db2.gz KXQIQZOAQFMGPF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106665143 845219313 /nfs/dbraw/zinc/21/93/13/845219313.db2.gz JKLLNXJPISYQOW-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106673255 845221643 /nfs/dbraw/zinc/22/16/43/845221643.db2.gz SYLZPAHEDQLFQB-HUUCEWRRSA-N 2 1 361.552 0.693 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766169 845247541 /nfs/dbraw/zinc/24/75/41/845247541.db2.gz CBRMBBHHNKBKNI-IAGOWNOFSA-N 2 1 357.495 0.056 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106839360 845264614 /nfs/dbraw/zinc/26/46/14/845264614.db2.gz DJGWDPTWXGIDFN-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106839636 845265162 /nfs/dbraw/zinc/26/51/62/845265162.db2.gz LZNSXWMHQSRSTE-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106874941 845275682 /nfs/dbraw/zinc/27/56/82/845275682.db2.gz ZVYWCOCZHBRLEZ-OWCLPIDISA-N 2 1 351.495 0.038 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438879 845373122 /nfs/dbraw/zinc/37/31/22/845373122.db2.gz MAIHAFWQBKBBKM-YQVWRLOYSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438879 845373125 /nfs/dbraw/zinc/37/31/25/845373125.db2.gz MAIHAFWQBKBBKM-YQVWRLOYSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438879 845373129 /nfs/dbraw/zinc/37/31/29/845373129.db2.gz MAIHAFWQBKBBKM-YQVWRLOYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2)[NH+](C)C ZINC001107451244 845375729 /nfs/dbraw/zinc/37/57/29/845375729.db2.gz RZAXCNKOVROBIR-GPMSIDNRSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107473012 845382560 /nfs/dbraw/zinc/38/25/60/845382560.db2.gz WCWXSOHGKXLUTG-SJLPKXTDSA-N 2 1 350.463 0.561 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107473012 845382575 /nfs/dbraw/zinc/38/25/75/845382575.db2.gz WCWXSOHGKXLUTG-SJLPKXTDSA-N 2 1 350.463 0.561 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107530599 845391755 /nfs/dbraw/zinc/39/17/55/845391755.db2.gz BMOXXZODMSUOQI-CRAIPNDOSA-N 2 1 351.495 0.324 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107582906 845402818 /nfs/dbraw/zinc/40/28/18/845402818.db2.gz DTMWCCBYCOQLJA-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107582906 845402824 /nfs/dbraw/zinc/40/28/24/845402824.db2.gz DTMWCCBYCOQLJA-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CC3CCOCC3)CCO2)CC[N@H+]1C ZINC001107952888 845418881 /nfs/dbraw/zinc/41/88/81/845418881.db2.gz MYJCUELFWPNHGX-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001107952888 845418886 /nfs/dbraw/zinc/41/88/86/845418886.db2.gz MYJCUELFWPNHGX-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001107952888 845418891 /nfs/dbraw/zinc/41/88/91/845418891.db2.gz MYJCUELFWPNHGX-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109474408 845667742 /nfs/dbraw/zinc/66/77/42/845667742.db2.gz VPWZAWPTKUIXDL-OWSLCNJRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109474408 845667747 /nfs/dbraw/zinc/66/77/47/845667747.db2.gz VPWZAWPTKUIXDL-OWSLCNJRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109474408 845667750 /nfs/dbraw/zinc/66/77/50/845667750.db2.gz VPWZAWPTKUIXDL-OWSLCNJRSA-N 2 1 353.507 0.837 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672844 845711450 /nfs/dbraw/zinc/71/14/50/845711450.db2.gz WAEAKNZLEGUGNB-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672844 845711455 /nfs/dbraw/zinc/71/14/55/845711455.db2.gz WAEAKNZLEGUGNB-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001109728860 845723271 /nfs/dbraw/zinc/72/32/71/845723271.db2.gz HNRWRTPJPXQEJT-UGUYLWEFSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001109728860 845723274 /nfs/dbraw/zinc/72/32/74/845723274.db2.gz HNRWRTPJPXQEJT-UGUYLWEFSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C3)C1=O ZINC001109728860 845723279 /nfs/dbraw/zinc/72/32/79/845723279.db2.gz HNRWRTPJPXQEJT-UGUYLWEFSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C3)C1=O ZINC001109728860 845723282 /nfs/dbraw/zinc/72/32/82/845723282.db2.gz HNRWRTPJPXQEJT-UGUYLWEFSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001109732902 845724687 /nfs/dbraw/zinc/72/46/87/845724687.db2.gz BAZVKFKNSIKDAC-QZWWFDLISA-N 2 1 354.495 0.201 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115162 845798731 /nfs/dbraw/zinc/79/87/31/845798731.db2.gz QFNMEZBJFCMGQL-OWSLCNJRSA-N 2 1 353.507 0.981 20 0 FCADMP COCCOCN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794384 861610337 /nfs/dbraw/zinc/61/03/37/861610337.db2.gz IQEPZFQEGLWVAR-CRAIPNDOSA-N 2 1 357.495 0.280 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666263 845944696 /nfs/dbraw/zinc/94/46/96/845944696.db2.gz FLCVHTLMPQUDFC-XLMAVXFVSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666263 845944700 /nfs/dbraw/zinc/94/47/00/845944700.db2.gz FLCVHTLMPQUDFC-XLMAVXFVSA-N 2 1 350.507 0.915 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001110715950 845954688 /nfs/dbraw/zinc/95/46/88/845954688.db2.gz BAZVKFKNSIKDAC-VQHPVUNQSA-N 2 1 354.495 0.201 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110934810 845999087 /nfs/dbraw/zinc/99/90/87/845999087.db2.gz OABQTUJIQDGGCR-TVFCKZIOSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001110934810 845999096 /nfs/dbraw/zinc/99/90/96/845999096.db2.gz OABQTUJIQDGGCR-TVFCKZIOSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001110934810 845999102 /nfs/dbraw/zinc/99/91/02/845999102.db2.gz OABQTUJIQDGGCR-TVFCKZIOSA-N 2 1 353.507 0.839 20 0 FCADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961155 846002596 /nfs/dbraw/zinc/00/25/96/846002596.db2.gz UAGZARPEYJTVCO-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110981070 846007165 /nfs/dbraw/zinc/00/71/65/846007165.db2.gz HTZMNXOZXIPVKK-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110981070 846007172 /nfs/dbraw/zinc/00/71/72/846007172.db2.gz HTZMNXOZXIPVKK-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCOC1 ZINC001111151739 846049659 /nfs/dbraw/zinc/04/96/59/846049659.db2.gz IMGCAMDKJGWYJQ-MLHJIOFPSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCOC1 ZINC001111151739 846049666 /nfs/dbraw/zinc/04/96/66/846049666.db2.gz IMGCAMDKJGWYJQ-MLHJIOFPSA-N 2 1 351.491 0.857 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001111233999 846066590 /nfs/dbraw/zinc/06/65/90/846066590.db2.gz ZJZRJLSGHGEBTP-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111233999 846066598 /nfs/dbraw/zinc/06/65/98/846066598.db2.gz ZJZRJLSGHGEBTP-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111233999 846066604 /nfs/dbraw/zinc/06/66/04/846066604.db2.gz ZJZRJLSGHGEBTP-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111233146 846066745 /nfs/dbraw/zinc/06/67/45/846066745.db2.gz JDWNTFWVZBITFS-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111233146 846066751 /nfs/dbraw/zinc/06/67/51/846066751.db2.gz JDWNTFWVZBITFS-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111233146 846066758 /nfs/dbraw/zinc/06/67/58/846066758.db2.gz JDWNTFWVZBITFS-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111233146 846066765 /nfs/dbraw/zinc/06/67/65/846066765.db2.gz JDWNTFWVZBITFS-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001111308131 846082261 /nfs/dbraw/zinc/08/22/61/846082261.db2.gz JOSVZVUZIMGDHP-SYQHCUMBSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001111308131 846082270 /nfs/dbraw/zinc/08/22/70/846082270.db2.gz JOSVZVUZIMGDHP-SYQHCUMBSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001111308131 846082276 /nfs/dbraw/zinc/08/22/76/846082276.db2.gz JOSVZVUZIMGDHP-SYQHCUMBSA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001111308131 846082285 /nfs/dbraw/zinc/08/22/85/846082285.db2.gz JOSVZVUZIMGDHP-SYQHCUMBSA-N 2 1 353.467 0.023 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001111767312 846195608 /nfs/dbraw/zinc/19/56/08/846195608.db2.gz XZKSEYBQWGJOEW-DAYGRLMNSA-N 2 1 356.486 0.725 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001111767312 846195614 /nfs/dbraw/zinc/19/56/14/846195614.db2.gz XZKSEYBQWGJOEW-DAYGRLMNSA-N 2 1 356.486 0.725 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111857873 846233807 /nfs/dbraw/zinc/23/38/07/846233807.db2.gz CRAWUFBVGLSECN-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111858002 846234217 /nfs/dbraw/zinc/23/42/17/846234217.db2.gz JNRYWXBXPJOAPK-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111858002 846234229 /nfs/dbraw/zinc/23/42/29/846234229.db2.gz JNRYWXBXPJOAPK-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001111862466 846236081 /nfs/dbraw/zinc/23/60/81/846236081.db2.gz OFURCOCKLQEQJE-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870976 846239265 /nfs/dbraw/zinc/23/92/65/846239265.db2.gz VMOCJADRGKVUBS-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870976 846239279 /nfs/dbraw/zinc/23/92/79/846239279.db2.gz VMOCJADRGKVUBS-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870976 846239291 /nfs/dbraw/zinc/23/92/91/846239291.db2.gz VMOCJADRGKVUBS-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870976 846239302 /nfs/dbraw/zinc/23/93/02/846239302.db2.gz VMOCJADRGKVUBS-GJYPPUQNSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891201 846250561 /nfs/dbraw/zinc/25/05/61/846250561.db2.gz IXOBWELWUYPPCR-SCTDSRPQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905962 846254953 /nfs/dbraw/zinc/25/49/53/846254953.db2.gz OGIRAWOTEDXYKL-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905962 846254959 /nfs/dbraw/zinc/25/49/59/846254959.db2.gz OGIRAWOTEDXYKL-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075597 846354459 /nfs/dbraw/zinc/35/44/59/846354459.db2.gz KCZOFEHYTZQTSG-JHJVBQTASA-N 2 1 353.385 0.332 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075597 846354468 /nfs/dbraw/zinc/35/44/68/846354468.db2.gz KCZOFEHYTZQTSG-JHJVBQTASA-N 2 1 353.385 0.332 20 0 FCADMP CCOC(=O)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276887961 861670334 /nfs/dbraw/zinc/67/03/34/861670334.db2.gz LDTZXJNUTVENOW-SFHVURJKSA-N 2 1 355.479 0.442 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112124772 846402199 /nfs/dbraw/zinc/40/21/99/846402199.db2.gz WUVGJWBAFJRCDM-VXGBXAGGSA-N 2 1 366.428 0.832 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112124772 846402204 /nfs/dbraw/zinc/40/22/04/846402204.db2.gz WUVGJWBAFJRCDM-VXGBXAGGSA-N 2 1 366.428 0.832 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112131174 846406924 /nfs/dbraw/zinc/40/69/24/846406924.db2.gz NPGXIMHLRZOTFW-CHWSQXEVSA-N 2 1 364.368 0.179 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154260 846421279 /nfs/dbraw/zinc/42/12/79/846421279.db2.gz CMPHNSSMIYJOMM-QJPTWQEYSA-N 2 1 364.412 0.442 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)NC1CC1 ZINC001112158994 846425306 /nfs/dbraw/zinc/42/53/06/846425306.db2.gz JSMSINSPPNQMFH-RAIGVLPGSA-N 2 1 364.412 0.584 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)C(=O)NC1CC1 ZINC001112158993 846425422 /nfs/dbraw/zinc/42/54/22/846425422.db2.gz JSMSINSPPNQMFH-CYZMBNFOSA-N 2 1 364.412 0.584 20 0 FCADMP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112160210 846426519 /nfs/dbraw/zinc/42/65/19/846426519.db2.gz YEFWRCJXXRGDIW-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112166425 846429045 /nfs/dbraw/zinc/42/90/45/846429045.db2.gz SOZKXVMWLSXLHJ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112166425 846429055 /nfs/dbraw/zinc/42/90/55/846429055.db2.gz SOZKXVMWLSXLHJ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166145 846429601 /nfs/dbraw/zinc/42/96/01/846429601.db2.gz GTUMGELEQLTLJQ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166145 846429604 /nfs/dbraw/zinc/42/96/04/846429604.db2.gz GTUMGELEQLTLJQ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112166239 846429741 /nfs/dbraw/zinc/42/97/41/846429741.db2.gz KVTKDDBGMJTXTF-MGPQQGTHSA-N 2 1 367.412 0.316 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112190023 846449368 /nfs/dbraw/zinc/44/93/68/846449368.db2.gz HOHBRESNMPZAOF-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112190023 846449375 /nfs/dbraw/zinc/44/93/75/846449375.db2.gz HOHBRESNMPZAOF-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112198096 846455089 /nfs/dbraw/zinc/45/50/89/846455089.db2.gz AMQRZOXBPKBTJZ-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112205801 846462756 /nfs/dbraw/zinc/46/27/56/846462756.db2.gz BEDFZRCOEAADAH-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112213602 846470131 /nfs/dbraw/zinc/47/01/31/846470131.db2.gz PTGQBRAVTRANNU-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112213602 846470134 /nfs/dbraw/zinc/47/01/34/846470134.db2.gz PTGQBRAVTRANNU-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112567572 846526214 /nfs/dbraw/zinc/52/62/14/846526214.db2.gz XFWPJARSEHSXIG-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112567326 846526534 /nfs/dbraw/zinc/52/65/34/846526534.db2.gz IVMVVINRBNFESA-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@H](O)COCC(C)C)CC2)CC[N@@H+]1C ZINC001112865980 846537291 /nfs/dbraw/zinc/53/72/91/846537291.db2.gz JUVPEZLVUWERDA-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@H](O)COCC(C)C)CC2)CC[N@H+]1C ZINC001112865980 846537294 /nfs/dbraw/zinc/53/72/94/846537294.db2.gz JUVPEZLVUWERDA-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccco1 ZINC001116968088 846822628 /nfs/dbraw/zinc/82/26/28/846822628.db2.gz MRBRFTVKMRCUTQ-QLFBSQMISA-N 2 1 350.463 0.988 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)CC1 ZINC001117704974 847150747 /nfs/dbraw/zinc/15/07/47/847150747.db2.gz MDVYBHHTJBITJO-MRXNPFEDSA-N 2 1 352.479 0.703 20 0 FCADMP CS(=O)(=O)CCN1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001118387032 847409179 /nfs/dbraw/zinc/40/91/79/847409179.db2.gz LDMDDAGEAJJBCD-GOSISDBHSA-N 2 1 373.563 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC001119424964 847839997 /nfs/dbraw/zinc/83/99/97/847839997.db2.gz NGNDVZWBRIYMCZ-ZACQAIPSSA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cn1 ZINC001119764971 847968343 /nfs/dbraw/zinc/96/83/43/847968343.db2.gz DJKSHHAGNAALOO-CVEARBPZSA-N 2 1 350.467 0.508 20 0 FCADMP CO[C@]1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCOC1 ZINC001120529829 848233837 /nfs/dbraw/zinc/23/38/37/848233837.db2.gz SLVYGVLOXBXQSR-JZXOWHBKSA-N 2 1 352.479 0.402 20 0 FCADMP CO[C@@]1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCOC1 ZINC001120529831 848234091 /nfs/dbraw/zinc/23/40/91/848234091.db2.gz SLVYGVLOXBXQSR-SOLBZPMBSA-N 2 1 352.479 0.402 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC001120590449 848249378 /nfs/dbraw/zinc/24/93/78/848249378.db2.gz PJILSDFPJZOUJQ-HIFRSBDPSA-N 2 1 359.264 0.845 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC001120590449 848249389 /nfs/dbraw/zinc/24/93/89/848249389.db2.gz PJILSDFPJZOUJQ-HIFRSBDPSA-N 2 1 359.264 0.845 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)c2cccs2)CC1 ZINC001121927631 848420027 /nfs/dbraw/zinc/42/00/27/848420027.db2.gz ZTOOIEPRMMUCJG-YJBOKZPZSA-N 2 1 366.531 0.657 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001121928021 848420111 /nfs/dbraw/zinc/42/01/11/848420111.db2.gz MAIVPTVUGUORRK-FGTMMUONSA-N 2 1 352.523 0.677 20 0 FCADMP CC[NH+](CC)CC[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001122521275 848516920 /nfs/dbraw/zinc/51/69/20/848516920.db2.gz ISUIHKRJNCWFBX-HNNXBMFYSA-N 2 1 355.527 0.959 20 0 FCADMP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)co1 ZINC001127571504 848727121 /nfs/dbraw/zinc/72/71/21/848727121.db2.gz SZGAVPUXNITOQR-SJORKVTESA-N 2 1 350.463 0.936 20 0 FCADMP CCc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001127643907 848729570 /nfs/dbraw/zinc/72/95/70/848729570.db2.gz QXWGETFWQWDIPT-CZUORRHYSA-N 2 1 366.531 0.973 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC001127637986 848730224 /nfs/dbraw/zinc/73/02/24/848730224.db2.gz DNHDJDMLSHNJLR-CZUORRHYSA-N 2 1 353.488 0.636 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638544 848730662 /nfs/dbraw/zinc/73/06/62/848730662.db2.gz LTBZRIATKQRQBQ-JHJVBQTASA-N 2 1 355.483 0.045 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COc2ccccc2F)CC[N@H+]1C ZINC001127652867 848731632 /nfs/dbraw/zinc/73/16/32/848731632.db2.gz GBLRDGARQXEVSP-QLFBSQMISA-N 2 1 353.438 0.611 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001127701894 848732619 /nfs/dbraw/zinc/73/26/19/848732619.db2.gz ZTGXGWGLXZNKDD-DLBZAZTESA-N 2 1 367.515 0.896 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706560 848733025 /nfs/dbraw/zinc/73/30/25/848733025.db2.gz MZIFXIZIRSFGJU-OWCLPIDISA-N 2 1 356.511 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)CC[N@H+]1C ZINC001127707260 848734266 /nfs/dbraw/zinc/73/42/66/848734266.db2.gz XKRDGVMJOHSIGJ-HYVNUMGLSA-N 2 1 353.463 0.593 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129030104 848798031 /nfs/dbraw/zinc/79/80/31/848798031.db2.gz QVAOBAXQWNJWGF-ZNMIVQPWSA-N 2 1 358.437 0.659 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054897 848801473 /nfs/dbraw/zinc/80/14/73/848801473.db2.gz ORMVUPRGBQFZHV-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054897 848801486 /nfs/dbraw/zinc/80/14/86/848801486.db2.gz ORMVUPRGBQFZHV-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054897 848801498 /nfs/dbraw/zinc/80/14/98/848801498.db2.gz ORMVUPRGBQFZHV-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054897 848801510 /nfs/dbraw/zinc/80/15/10/848801510.db2.gz ORMVUPRGBQFZHV-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262904 848823911 /nfs/dbraw/zinc/82/39/11/848823911.db2.gz VPWOFGSWJJZXPM-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262904 848823919 /nfs/dbraw/zinc/82/39/19/848823919.db2.gz VPWOFGSWJJZXPM-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262904 848823934 /nfs/dbraw/zinc/82/39/34/848823934.db2.gz VPWOFGSWJJZXPM-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262904 848823941 /nfs/dbraw/zinc/82/39/41/848823941.db2.gz VPWOFGSWJJZXPM-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397058 848840188 /nfs/dbraw/zinc/84/01/88/848840188.db2.gz OOUJQLKQXJMWEK-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461740 848847754 /nfs/dbraw/zinc/84/77/54/848847754.db2.gz ZXBXZXDZMLGYTN-OAGGEKHMSA-N 2 1 352.483 0.121 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461740 848847757 /nfs/dbraw/zinc/84/77/57/848847757.db2.gz ZXBXZXDZMLGYTN-OAGGEKHMSA-N 2 1 352.483 0.121 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461740 848847759 /nfs/dbraw/zinc/84/77/59/848847759.db2.gz ZXBXZXDZMLGYTN-OAGGEKHMSA-N 2 1 352.483 0.121 20 0 FCADMP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001130081498 848941270 /nfs/dbraw/zinc/94/12/70/848941270.db2.gz RRBTWSRQQBYPPO-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086284 848942795 /nfs/dbraw/zinc/94/27/95/848942795.db2.gz UGOPKTCZWMMGGS-GCRBFPJHSA-N 2 1 352.870 0.714 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130137056 848950142 /nfs/dbraw/zinc/95/01/42/848950142.db2.gz GWUJLVKGMQDHGR-CABCVRRESA-N 2 1 363.491 0.617 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130137056 848950151 /nfs/dbraw/zinc/95/01/51/848950151.db2.gz GWUJLVKGMQDHGR-CABCVRRESA-N 2 1 363.491 0.617 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccccc2Cl)O1 ZINC001130180093 848958612 /nfs/dbraw/zinc/95/86/12/848958612.db2.gz AJPPKLJIAYYXAW-IUODEOHRSA-N 2 1 368.865 0.703 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccccc2Cl)O1 ZINC001130180093 848958614 /nfs/dbraw/zinc/95/86/14/848958614.db2.gz AJPPKLJIAYYXAW-IUODEOHRSA-N 2 1 368.865 0.703 20 0 FCADMP CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1)[NH+](C)C ZINC001130221175 848978919 /nfs/dbraw/zinc/97/89/19/848978919.db2.gz YFFXTGRUTFLUPA-MJBXVCDLSA-N 2 1 352.483 0.632 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130221108 848978976 /nfs/dbraw/zinc/97/89/76/848978976.db2.gz VDWMAJLWIPWWET-KCQAQPDRSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130251292 848988625 /nfs/dbraw/zinc/98/86/25/848988625.db2.gz LPUANRIBGAOULG-STQMWFEESA-N 2 1 356.446 0.193 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130719332 849028676 /nfs/dbraw/zinc/02/86/76/849028676.db2.gz JYYICJZCCFWWQT-HLLBOEOZSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130719679 849029960 /nfs/dbraw/zinc/02/99/60/849029960.db2.gz ZTJYIPZWYQAQAB-DOTOQJQBSA-N 2 1 351.495 0.682 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC[NH+](C)C)n[nH]2)O1 ZINC001130817305 849048772 /nfs/dbraw/zinc/04/87/72/849048772.db2.gz LDVQAKGNCMKGHZ-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131310564 849093204 /nfs/dbraw/zinc/09/32/04/849093204.db2.gz WBDDOOPNOVYJHI-ZNMIVQPWSA-N 2 1 352.479 0.843 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC)C[C@H]32)C1 ZINC001131310564 849093211 /nfs/dbraw/zinc/09/32/11/849093211.db2.gz WBDDOOPNOVYJHI-ZNMIVQPWSA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC)C[C@H]32)C1 ZINC001131310564 849093217 /nfs/dbraw/zinc/09/32/17/849093217.db2.gz WBDDOOPNOVYJHI-ZNMIVQPWSA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC)C[C@H]32)C1 ZINC001131310564 849093222 /nfs/dbraw/zinc/09/32/22/849093222.db2.gz WBDDOOPNOVYJHI-ZNMIVQPWSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321106 849096625 /nfs/dbraw/zinc/09/66/25/849096625.db2.gz MTECTUTYZDYVGU-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131321106 849096627 /nfs/dbraw/zinc/09/66/27/849096627.db2.gz MTECTUTYZDYVGU-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131321106 849096629 /nfs/dbraw/zinc/09/66/29/849096629.db2.gz MTECTUTYZDYVGU-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP Cc1nnc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)s1 ZINC001277657609 861982827 /nfs/dbraw/zinc/98/28/27/861982827.db2.gz LVOPYFUJXJSYGR-MRXNPFEDSA-N 2 1 351.476 0.749 20 0 FCADMP Cc1nnc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)s1 ZINC001277657609 861982841 /nfs/dbraw/zinc/98/28/41/861982841.db2.gz LVOPYFUJXJSYGR-MRXNPFEDSA-N 2 1 351.476 0.749 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001277694503 862001990 /nfs/dbraw/zinc/00/19/90/862001990.db2.gz JZMJSZUGQIIHQO-OCCSQVGLSA-N 2 1 353.385 0.022 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001277694503 862001996 /nfs/dbraw/zinc/00/19/96/862001996.db2.gz JZMJSZUGQIIHQO-OCCSQVGLSA-N 2 1 353.385 0.022 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)no1 ZINC001143140197 849476970 /nfs/dbraw/zinc/47/69/70/849476970.db2.gz LLSLBNBNRAKCND-CYBMUJFWSA-N 2 1 352.435 0.949 20 0 FCADMP CC(C)COCC[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC001147773577 849591684 /nfs/dbraw/zinc/59/16/84/849591684.db2.gz HLQKNAKGOQXBBL-IAGOWNOFSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773577 849591694 /nfs/dbraw/zinc/59/16/94/849591694.db2.gz HLQKNAKGOQXBBL-IAGOWNOFSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773577 849591705 /nfs/dbraw/zinc/59/17/05/849591705.db2.gz HLQKNAKGOQXBBL-IAGOWNOFSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773577 849591715 /nfs/dbraw/zinc/59/17/15/849591715.db2.gz HLQKNAKGOQXBBL-IAGOWNOFSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773577 849591725 /nfs/dbraw/zinc/59/17/25/849591725.db2.gz HLQKNAKGOQXBBL-IAGOWNOFSA-N 2 1 353.507 0.912 20 0 FCADMP CNC(=O)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151137801 849679096 /nfs/dbraw/zinc/67/90/96/849679096.db2.gz KCJHYFXPJZBOOW-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CNC(=O)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151137801 849679100 /nfs/dbraw/zinc/67/91/00/849679100.db2.gz KCJHYFXPJZBOOW-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761361 862056704 /nfs/dbraw/zinc/05/67/04/862056704.db2.gz MKDRUPHCCCKWSX-IBGZPJMESA-N 2 1 352.523 0.462 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761361 862056711 /nfs/dbraw/zinc/05/67/11/862056711.db2.gz MKDRUPHCCCKWSX-IBGZPJMESA-N 2 1 352.523 0.462 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761361 862056724 /nfs/dbraw/zinc/05/67/24/862056724.db2.gz MKDRUPHCCCKWSX-IBGZPJMESA-N 2 1 352.523 0.462 20 0 FCADMP CC(C)[N@@H+](C)[C@H]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001157000580 849936481 /nfs/dbraw/zinc/93/64/81/849936481.db2.gz GMVUCUHKURAMFH-ZDUSSCGKSA-N 2 1 367.519 0.487 20 0 FCADMP C[N@@H+]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001157258922 849957685 /nfs/dbraw/zinc/95/76/85/849957685.db2.gz BNYAROSXBGZJRZ-IUODEOHRSA-N 2 1 365.503 0.099 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001157258922 849957695 /nfs/dbraw/zinc/95/76/95/849957695.db2.gz BNYAROSXBGZJRZ-IUODEOHRSA-N 2 1 365.503 0.099 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)N2CCC2)CC[N@@H+]1C ZINC001157977471 850009246 /nfs/dbraw/zinc/00/92/46/850009246.db2.gz DUYIPHGAJGWMDT-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)N2CCC2)CC[N@H+]1C ZINC001157977471 850009252 /nfs/dbraw/zinc/00/92/52/850009252.db2.gz DUYIPHGAJGWMDT-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC001157977471 850009257 /nfs/dbraw/zinc/00/92/57/850009257.db2.gz DUYIPHGAJGWMDT-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC001157977471 850009260 /nfs/dbraw/zinc/00/92/60/850009260.db2.gz DUYIPHGAJGWMDT-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241206 850028615 /nfs/dbraw/zinc/02/86/15/850028615.db2.gz SRBQUPSVVKDYPE-WDEREUQCSA-N 2 1 351.369 0.942 20 0 FCADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158697581 850068182 /nfs/dbraw/zinc/06/81/82/850068182.db2.gz DGAWBHGGKOMJRC-HNNXBMFYSA-N 3 1 350.511 0.867 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cnc([C@@H](C)[NH3+])s1)CC2 ZINC001158891185 850083926 /nfs/dbraw/zinc/08/39/26/850083926.db2.gz VVJSUXNORRGHDI-GFCCVEGCSA-N 2 1 365.503 0.979 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1cnc([C@@H](C)[NH3+])s1)CC2 ZINC001158891185 850083937 /nfs/dbraw/zinc/08/39/37/850083937.db2.gz VVJSUXNORRGHDI-GFCCVEGCSA-N 2 1 365.503 0.979 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903094 850084176 /nfs/dbraw/zinc/08/41/76/850084176.db2.gz MGOUMZHTYPZGMZ-SUMWQHHRSA-N 3 1 351.426 0.013 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159159608 850098184 /nfs/dbraw/zinc/09/81/84/850098184.db2.gz CBZQMQLODANMNP-KGLIPLIRSA-N 2 1 355.479 0.805 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc(N3CC[NH+](C)CC3)n2)O1 ZINC001159245907 850105073 /nfs/dbraw/zinc/10/50/73/850105073.db2.gz YCQPTNSOONMUTM-IIAWOOMASA-N 2 1 350.467 0.365 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159339449 850109978 /nfs/dbraw/zinc/10/99/78/850109978.db2.gz NXVCKBCXYDTESK-JSGCOSHPSA-N 2 1 352.410 0.426 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])c3ccsc3)CC[C@@H]2C1 ZINC001159635300 850126110 /nfs/dbraw/zinc/12/61/10/850126110.db2.gz KGWUQKYGEGFEGX-BMFZPTHFSA-N 2 1 353.488 0.944 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])c3ccsc3)CC[C@@H]2C1 ZINC001159635300 850126115 /nfs/dbraw/zinc/12/61/15/850126115.db2.gz KGWUQKYGEGFEGX-BMFZPTHFSA-N 2 1 353.488 0.944 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834932 850138940 /nfs/dbraw/zinc/13/89/40/850138940.db2.gz WUHBQMZEWMRRGS-HZSPNIEDSA-N 3 1 369.560 0.585 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834932 850138944 /nfs/dbraw/zinc/13/89/44/850138944.db2.gz WUHBQMZEWMRRGS-HZSPNIEDSA-N 2 1 369.560 0.585 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853932 850141252 /nfs/dbraw/zinc/14/12/52/850141252.db2.gz CJTSXNBCOLNEIF-OIISXLGYSA-N 3 1 350.438 0.556 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853932 850141256 /nfs/dbraw/zinc/14/12/56/850141256.db2.gz CJTSXNBCOLNEIF-OIISXLGYSA-N 2 1 350.438 0.556 20 0 FCADMP [NH3+]C[C@@]1(Nc2ccc(S(=O)(=O)NC3CC3)cn2)C[NH+]2CCC1CC2 ZINC001160521300 850179331 /nfs/dbraw/zinc/17/93/31/850179331.db2.gz YDTXYQDDDNOFII-MRXNPFEDSA-N 2 1 351.476 0.357 20 0 FCADMP CCN(CC)S(=O)(=O)c1ccc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1 ZINC001160519485 850179580 /nfs/dbraw/zinc/17/95/80/850179580.db2.gz MMBMDFKUOBIKLU-QGZVFWFLSA-N 2 1 367.519 0.947 20 0 FCADMP CC(C)Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862403 850208522 /nfs/dbraw/zinc/20/85/22/850208522.db2.gz PDEGZCUZJWLWLL-HUUCEWRRSA-N 2 1 352.483 0.249 20 0 FCADMP CC(C)Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862403 850208528 /nfs/dbraw/zinc/20/85/28/850208528.db2.gz PDEGZCUZJWLWLL-HUUCEWRRSA-N 2 1 352.483 0.249 20 0 FCADMP [NH3+]C1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC(F)C1 ZINC001161198820 850238749 /nfs/dbraw/zinc/23/87/49/850238749.db2.gz ZHJQHNCUVLEURW-UHFFFAOYSA-N 3 1 356.486 0.366 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423582 850258432 /nfs/dbraw/zinc/25/84/32/850258432.db2.gz GEIGPFJWACTMMR-XGUBFFRZSA-N 2 1 356.536 0.514 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833747 862120887 /nfs/dbraw/zinc/12/08/87/862120887.db2.gz GTHXAEBGPVRCPY-CXAGYDPISA-N 2 1 361.433 0.795 20 0 FCADMP CCN1C[C@@]23C[N@H+](C4CCC([NH+](C)C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001168319023 850581560 /nfs/dbraw/zinc/58/15/60/850581560.db2.gz LQWJCQUVPBWZOJ-JWRYVHENSA-N 2 1 357.520 0.736 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001169254181 850610185 /nfs/dbraw/zinc/61/01/85/850610185.db2.gz RZXJWQBOCQJIIL-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001169254181 850610187 /nfs/dbraw/zinc/61/01/87/850610187.db2.gz RZXJWQBOCQJIIL-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171499774 850687142 /nfs/dbraw/zinc/68/71/42/850687142.db2.gz HZFVDJJFSFURJR-SQWLQELKSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171499774 850687147 /nfs/dbraw/zinc/68/71/47/850687147.db2.gz HZFVDJJFSFURJR-SQWLQELKSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@H](CCCC[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500970 850687206 /nfs/dbraw/zinc/68/72/06/850687206.db2.gz OJZRHMFSHJWKMZ-BRWVUGGUSA-N 2 1 351.495 0.867 20 0 FCADMP C[C@H](CCCC[NH2+]CCn1cccn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500970 850687208 /nfs/dbraw/zinc/68/72/08/850687208.db2.gz OJZRHMFSHJWKMZ-BRWVUGGUSA-N 2 1 351.495 0.867 20 0 FCADMP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172255774 850710393 /nfs/dbraw/zinc/71/03/93/850710393.db2.gz AAFLMQLYZOTPCW-YHUYYLMFSA-N 2 1 350.415 0.207 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001172688048 850712761 /nfs/dbraw/zinc/71/27/61/850712761.db2.gz HTMSUJRAGBARKY-AVGNSLFASA-N 2 1 359.467 0.615 20 0 FCADMP CC[N@H+]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001173360528 850720272 /nfs/dbraw/zinc/72/02/72/850720272.db2.gz IZZPAMSLOOKOAF-KRWDZBQOSA-N 2 1 351.539 0.251 20 0 FCADMP CC[N@@H+]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001173360528 850720280 /nfs/dbraw/zinc/72/02/80/850720280.db2.gz IZZPAMSLOOKOAF-KRWDZBQOSA-N 3 1 351.539 0.251 20 0 FCADMP CC[N@H+]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001173360528 850720291 /nfs/dbraw/zinc/72/02/91/850720291.db2.gz IZZPAMSLOOKOAF-KRWDZBQOSA-N 3 1 351.539 0.251 20 0 FCADMP CC[NH+]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001173360528 850720300 /nfs/dbraw/zinc/72/03/00/850720300.db2.gz IZZPAMSLOOKOAF-KRWDZBQOSA-N 3 1 351.539 0.251 20 0 FCADMP CC[NH+]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001173360528 850720306 /nfs/dbraw/zinc/72/03/06/850720306.db2.gz IZZPAMSLOOKOAF-KRWDZBQOSA-N 3 1 351.539 0.251 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cnnn2C)O1 ZINC001178810386 850932122 /nfs/dbraw/zinc/93/21/22/850932122.db2.gz DTEMPJBJWMQYJK-GDBMZVCRSA-N 2 1 352.483 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cnnn2C)O1 ZINC001178810386 850932133 /nfs/dbraw/zinc/93/21/33/850932133.db2.gz DTEMPJBJWMQYJK-GDBMZVCRSA-N 2 1 352.483 0.300 20 0 FCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001179014444 850945790 /nfs/dbraw/zinc/94/57/90/850945790.db2.gz IQBJNRASHVKULH-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684569 851191902 /nfs/dbraw/zinc/19/19/02/851191902.db2.gz RKXJUIRKTQTMJL-BZUAXINKSA-N 2 1 359.536 0.730 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001185270299 851347693 /nfs/dbraw/zinc/34/76/93/851347693.db2.gz YYYFGXHGEGEMME-CPFIQGLUSA-N 2 1 364.474 0.895 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001185270300 851347994 /nfs/dbraw/zinc/34/79/94/851347994.db2.gz YYYFGXHGEGEMME-YDONVPIESA-N 2 1 364.474 0.895 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC001186106024 851411317 /nfs/dbraw/zinc/41/13/17/851411317.db2.gz KZBZESZSMPMGIX-INIZCTEOSA-N 3 1 356.511 0.213 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC001186106024 851411320 /nfs/dbraw/zinc/41/13/20/851411320.db2.gz KZBZESZSMPMGIX-INIZCTEOSA-N 2 1 356.511 0.213 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857119 851615572 /nfs/dbraw/zinc/61/55/72/851615572.db2.gz JHORVLZGWIEAPZ-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857119 851615581 /nfs/dbraw/zinc/61/55/81/851615581.db2.gz JHORVLZGWIEAPZ-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857119 851615587 /nfs/dbraw/zinc/61/55/87/851615587.db2.gz JHORVLZGWIEAPZ-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857119 851615597 /nfs/dbraw/zinc/61/55/97/851615597.db2.gz JHORVLZGWIEAPZ-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188644116 851715948 /nfs/dbraw/zinc/71/59/48/851715948.db2.gz YPGPQHCCDLYCGD-RCCFBDPRSA-N 2 1 351.491 0.402 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034270 851743910 /nfs/dbraw/zinc/74/39/10/851743910.db2.gz FRRCBSQBKULCGQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034270 851743915 /nfs/dbraw/zinc/74/39/15/851743915.db2.gz FRRCBSQBKULCGQ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189471282 851793910 /nfs/dbraw/zinc/79/39/10/851793910.db2.gz QRCZVGXDBVNROL-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189471282 851793918 /nfs/dbraw/zinc/79/39/18/851793918.db2.gz QRCZVGXDBVNROL-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189479057 851794408 /nfs/dbraw/zinc/79/44/08/851794408.db2.gz XCILDTIIKXEUSS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189522741 851798858 /nfs/dbraw/zinc/79/88/58/851798858.db2.gz LAAZXODUPJZZPU-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189522741 851798862 /nfs/dbraw/zinc/79/88/62/851798862.db2.gz LAAZXODUPJZZPU-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669317 851813976 /nfs/dbraw/zinc/81/39/76/851813976.db2.gz WPGYUADMDLXRJK-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669317 851813988 /nfs/dbraw/zinc/81/39/88/851813988.db2.gz WPGYUADMDLXRJK-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189669317 851813994 /nfs/dbraw/zinc/81/39/94/851813994.db2.gz WPGYUADMDLXRJK-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786645 851823546 /nfs/dbraw/zinc/82/35/46/851823546.db2.gz GZTYKFZAJRSDJB-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786645 851823549 /nfs/dbraw/zinc/82/35/49/851823549.db2.gz GZTYKFZAJRSDJB-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786645 851823556 /nfs/dbraw/zinc/82/35/56/851823556.db2.gz GZTYKFZAJRSDJB-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786645 851823560 /nfs/dbraw/zinc/82/35/60/851823560.db2.gz GZTYKFZAJRSDJB-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001189810857 851827202 /nfs/dbraw/zinc/82/72/02/851827202.db2.gz KALSWZLFSLNVDQ-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819947 851828296 /nfs/dbraw/zinc/82/82/96/851828296.db2.gz GUQWPDOWVBNVED-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819947 851828299 /nfs/dbraw/zinc/82/82/99/851828299.db2.gz GUQWPDOWVBNVED-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176792 851870773 /nfs/dbraw/zinc/87/07/73/851870773.db2.gz GIBSYWRCBTVTFQ-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176792 851870774 /nfs/dbraw/zinc/87/07/74/851870774.db2.gz GIBSYWRCBTVTFQ-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212840 851876099 /nfs/dbraw/zinc/87/60/99/851876099.db2.gz KXPWZYDUANUOJT-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212840 851876103 /nfs/dbraw/zinc/87/61/03/851876103.db2.gz KXPWZYDUANUOJT-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229716 851879677 /nfs/dbraw/zinc/87/96/77/851879677.db2.gz NBSWIMUVUJVCCF-KSZLIROESA-N 2 1 353.507 0.648 20 0 FCADMP COCCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238345 851882278 /nfs/dbraw/zinc/88/22/78/851882278.db2.gz LXAGQHBHRBVIMG-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238345 851882281 /nfs/dbraw/zinc/88/22/81/851882281.db2.gz LXAGQHBHRBVIMG-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238345 851882284 /nfs/dbraw/zinc/88/22/84/851882284.db2.gz LXAGQHBHRBVIMG-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238345 851882287 /nfs/dbraw/zinc/88/22/87/851882287.db2.gz LXAGQHBHRBVIMG-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325127 851892014 /nfs/dbraw/zinc/89/20/14/851892014.db2.gz SVXKBBFMRMFTEL-DLBZAZTESA-N 2 1 371.547 0.830 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325127 851892019 /nfs/dbraw/zinc/89/20/19/851892019.db2.gz SVXKBBFMRMFTEL-DLBZAZTESA-N 2 1 371.547 0.830 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481293 851911116 /nfs/dbraw/zinc/91/11/16/851911116.db2.gz SNHOINKELYEMQU-OKZBNKHCSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900703 851979946 /nfs/dbraw/zinc/97/99/46/851979946.db2.gz RCTUFGSFHJVDEW-MGPQQGTHSA-N 2 1 367.412 0.817 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900703 851979947 /nfs/dbraw/zinc/97/99/47/851979947.db2.gz RCTUFGSFHJVDEW-MGPQQGTHSA-N 2 1 367.412 0.817 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900703 851979948 /nfs/dbraw/zinc/97/99/48/851979948.db2.gz RCTUFGSFHJVDEW-MGPQQGTHSA-N 2 1 367.412 0.817 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900703 851979949 /nfs/dbraw/zinc/97/99/49/851979949.db2.gz RCTUFGSFHJVDEW-MGPQQGTHSA-N 2 1 367.412 0.817 20 0 FCADMP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278426146 862323616 /nfs/dbraw/zinc/32/36/16/862323616.db2.gz KIBULSPYEHGYGQ-HUUCEWRRSA-N 2 1 368.547 0.340 20 0 FCADMP CCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278430963 862325853 /nfs/dbraw/zinc/32/58/53/862325853.db2.gz PXFFOESQUCZNOL-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O ZINC001194103226 852538542 /nfs/dbraw/zinc/53/85/42/852538542.db2.gz WNLBWLWFHBZLFP-HZPDHXFCSA-N 2 1 359.486 0.646 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996766 852689898 /nfs/dbraw/zinc/68/98/98/852689898.db2.gz FZWFDEVZDMCZCY-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996766 852689901 /nfs/dbraw/zinc/68/99/01/852689901.db2.gz FZWFDEVZDMCZCY-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996766 852689907 /nfs/dbraw/zinc/68/99/07/852689907.db2.gz FZWFDEVZDMCZCY-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CC1 ZINC001195214082 852725146 /nfs/dbraw/zinc/72/51/46/852725146.db2.gz FBMKYPRSSCYWGU-BRWVUGGUSA-N 2 1 353.507 0.837 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195549000 852783137 /nfs/dbraw/zinc/78/31/37/852783137.db2.gz OGLDJJAJLYWBRV-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195549000 852783145 /nfs/dbraw/zinc/78/31/45/852783145.db2.gz OGLDJJAJLYWBRV-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195549000 852783150 /nfs/dbraw/zinc/78/31/50/852783150.db2.gz OGLDJJAJLYWBRV-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195549000 852783158 /nfs/dbraw/zinc/78/31/58/852783158.db2.gz OGLDJJAJLYWBRV-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001195677229 852811571 /nfs/dbraw/zinc/81/15/71/852811571.db2.gz OQRQCNWHUVQVKD-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196644573 852992013 /nfs/dbraw/zinc/99/20/13/852992013.db2.gz FXRCJJOATXVULW-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196644573 852992023 /nfs/dbraw/zinc/99/20/23/852992023.db2.gz FXRCJJOATXVULW-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1)OC ZINC001196939031 853035666 /nfs/dbraw/zinc/03/56/66/853035666.db2.gz CIFYODOXOMMIMU-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1)OC ZINC001196939031 853035675 /nfs/dbraw/zinc/03/56/75/853035675.db2.gz CIFYODOXOMMIMU-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)C(C)C ZINC001197018407 853049397 /nfs/dbraw/zinc/04/93/97/853049397.db2.gz SPZYBWKTABZUIN-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)C(C)C ZINC001197018407 853049402 /nfs/dbraw/zinc/04/94/02/853049402.db2.gz SPZYBWKTABZUIN-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2O)CC1 ZINC001197319498 853097584 /nfs/dbraw/zinc/09/75/84/853097584.db2.gz KGSAHMSCULUDAG-QZTJIDSGSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319703 853098082 /nfs/dbraw/zinc/09/80/82/853098082.db2.gz PTVKEXVEIKTSQV-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)Cc3cccnc3)CC2)CC1 ZINC001197449534 853117839 /nfs/dbraw/zinc/11/78/39/853117839.db2.gz PLXUZVUJAPDUFB-UHFFFAOYSA-N 2 1 352.504 0.871 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1O ZINC001197825167 853168101 /nfs/dbraw/zinc/16/81/01/853168101.db2.gz AQDJWLCMAQBILR-IAGOWNOFSA-N 2 1 369.893 0.622 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1O ZINC001197825167 853168106 /nfs/dbraw/zinc/16/81/06/853168106.db2.gz AQDJWLCMAQBILR-IAGOWNOFSA-N 2 1 369.893 0.622 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001198003668 853202649 /nfs/dbraw/zinc/20/26/49/853202649.db2.gz CFEHWDIRDUFTBN-HUUCEWRRSA-N 2 1 353.467 0.204 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001198003668 853202653 /nfs/dbraw/zinc/20/26/53/853202653.db2.gz CFEHWDIRDUFTBN-HUUCEWRRSA-N 2 1 353.467 0.204 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001198003668 853202656 /nfs/dbraw/zinc/20/26/56/853202656.db2.gz CFEHWDIRDUFTBN-HUUCEWRRSA-N 2 1 353.467 0.204 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001198003668 853202660 /nfs/dbraw/zinc/20/26/60/853202660.db2.gz CFEHWDIRDUFTBN-HUUCEWRRSA-N 2 1 353.467 0.204 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1O ZINC001198003696 853202718 /nfs/dbraw/zinc/20/27/18/853202718.db2.gz DSLQBOGNZLRHTA-HZPDHXFCSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1O ZINC001198003696 853202724 /nfs/dbraw/zinc/20/27/24/853202724.db2.gz DSLQBOGNZLRHTA-HZPDHXFCSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1O ZINC001198003696 853202730 /nfs/dbraw/zinc/20/27/30/853202730.db2.gz DSLQBOGNZLRHTA-HZPDHXFCSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1O ZINC001198003696 853202737 /nfs/dbraw/zinc/20/27/37/853202737.db2.gz DSLQBOGNZLRHTA-HZPDHXFCSA-N 2 1 354.520 0.887 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O ZINC001198699371 853304071 /nfs/dbraw/zinc/30/40/71/853304071.db2.gz OSTPFQHVVBNVJE-CGTJXYLNSA-N 2 1 353.507 0.696 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370574 853415131 /nfs/dbraw/zinc/41/51/31/853415131.db2.gz YUKHXEIUWTVCKF-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001200643941 853506938 /nfs/dbraw/zinc/50/69/38/853506938.db2.gz HAGGQRUSFDRBJF-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CCCC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001201238937 853521605 /nfs/dbraw/zinc/52/16/05/853521605.db2.gz FJPGJERKWJPEQQ-FVQBIDKESA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001201238937 853521613 /nfs/dbraw/zinc/52/16/13/853521613.db2.gz FJPGJERKWJPEQQ-FVQBIDKESA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001205335419 853603968 /nfs/dbraw/zinc/60/39/68/853603968.db2.gz ZKRMZYIVTRYBQU-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513113 853619115 /nfs/dbraw/zinc/61/91/15/853619115.db2.gz ANPLZNPXWXAWME-IXDOHACOSA-N 2 1 353.507 0.648 20 0 FCADMP COCCOCN1CC2(C1)CCN(Cc1cn3c(n1)COCC3)CC2 ZINC001278796960 862484946 /nfs/dbraw/zinc/48/49/46/862484946.db2.gz FGTIPBWFDOYYMG-UHFFFAOYSA-N 2 1 350.463 0.932 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(CC(C)(C)[NH+]1CCOCC1)CC2 ZINC001207303548 853801907 /nfs/dbraw/zinc/80/19/07/853801907.db2.gz ZRXGNDNPZGRPSH-UHFFFAOYSA-N 2 1 352.523 0.774 20 0 FCADMP CC(C)C(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001207436444 853813015 /nfs/dbraw/zinc/81/30/15/853813015.db2.gz CISHCCRYLZAYGV-LJQANCHMSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545220 853822084 /nfs/dbraw/zinc/82/20/84/853822084.db2.gz KPZFVKSXRUWVBJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545219 853822441 /nfs/dbraw/zinc/82/24/41/853822441.db2.gz KPZFVKSXRUWVBJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001207563043 853825597 /nfs/dbraw/zinc/82/55/97/853825597.db2.gz BKEFKYOOMAUBGZ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001207563043 853825604 /nfs/dbraw/zinc/82/56/04/853825604.db2.gz BKEFKYOOMAUBGZ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001207563043 853825613 /nfs/dbraw/zinc/82/56/13/853825613.db2.gz BKEFKYOOMAUBGZ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CC1 ZINC001207563168 853825676 /nfs/dbraw/zinc/82/56/76/853825676.db2.gz HRYZGRNEWJQPNN-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CC1 ZINC001207563168 853825680 /nfs/dbraw/zinc/82/56/80/853825680.db2.gz HRYZGRNEWJQPNN-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C1CC1 ZINC001207563168 853825687 /nfs/dbraw/zinc/82/56/87/853825687.db2.gz HRYZGRNEWJQPNN-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C1CC1 ZINC001207563168 853825690 /nfs/dbraw/zinc/82/56/90/853825690.db2.gz HRYZGRNEWJQPNN-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653065 853835131 /nfs/dbraw/zinc/83/51/31/853835131.db2.gz WIIZFSSBRPYHIS-OIISXLGYSA-N 2 1 356.511 0.162 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)CS(C)(=O)=O ZINC001207862780 853866167 /nfs/dbraw/zinc/86/61/67/853866167.db2.gz VPXAKZNCDKOUSL-ARFHVFGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)CS(C)(=O)=O ZINC001207862780 853866171 /nfs/dbraw/zinc/86/61/71/853866171.db2.gz VPXAKZNCDKOUSL-ARFHVFGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001208070242 853890538 /nfs/dbraw/zinc/89/05/38/853890538.db2.gz HFHRPWDBOVTCOL-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070368 853890852 /nfs/dbraw/zinc/89/08/52/853890852.db2.gz KJPKWHVSRHWHQB-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208107452 853897682 /nfs/dbraw/zinc/89/76/82/853897682.db2.gz OBEBACFAEPVGSG-APWZRJJASA-N 2 1 353.507 0.772 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281400 853913283 /nfs/dbraw/zinc/91/32/83/853913283.db2.gz GUHWEZCEVMCFIL-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281400 853913289 /nfs/dbraw/zinc/91/32/89/853913289.db2.gz GUHWEZCEVMCFIL-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435261 853934376 /nfs/dbraw/zinc/93/43/76/853934376.db2.gz ZLZKVWFMVBMSSH-UKRRQHHQSA-N 2 1 366.531 0.997 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445271 853935770 /nfs/dbraw/zinc/93/57/70/853935770.db2.gz YPPOGFQCUYTGRX-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445271 853935774 /nfs/dbraw/zinc/93/57/74/853935774.db2.gz YPPOGFQCUYTGRX-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)CS(C)(=O)=O ZINC001208485468 853940624 /nfs/dbraw/zinc/94/06/24/853940624.db2.gz LNCIJHDFQKNGDM-SQWLQELKSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)CS(C)(=O)=O ZINC001208485468 853940630 /nfs/dbraw/zinc/94/06/30/853940630.db2.gz LNCIJHDFQKNGDM-SQWLQELKSA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591101 853957771 /nfs/dbraw/zinc/95/77/71/853957771.db2.gz PWLRNTRASODXSE-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591101 853957776 /nfs/dbraw/zinc/95/77/76/853957776.db2.gz PWLRNTRASODXSE-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208591101 853957781 /nfs/dbraw/zinc/95/77/81/853957781.db2.gz PWLRNTRASODXSE-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208591101 853957784 /nfs/dbraw/zinc/95/77/84/853957784.db2.gz PWLRNTRASODXSE-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637487 853962595 /nfs/dbraw/zinc/96/25/95/853962595.db2.gz NFRZELFUQXDXKG-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637487 853962601 /nfs/dbraw/zinc/96/26/01/853962601.db2.gz NFRZELFUQXDXKG-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208637487 853962603 /nfs/dbraw/zinc/96/26/03/853962603.db2.gz NFRZELFUQXDXKG-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208637487 853962610 /nfs/dbraw/zinc/96/26/10/853962610.db2.gz NFRZELFUQXDXKG-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159158 854002115 /nfs/dbraw/zinc/00/21/15/854002115.db2.gz XDOMRFPVLUYGKC-OWCLPIDISA-N 2 1 352.479 0.840 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159158 854002116 /nfs/dbraw/zinc/00/21/16/854002116.db2.gz XDOMRFPVLUYGKC-OWCLPIDISA-N 2 1 352.479 0.840 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209487644 854031214 /nfs/dbraw/zinc/03/12/14/854031214.db2.gz BHVSTGUCCMLBOO-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209487644 854031222 /nfs/dbraw/zinc/03/12/22/854031222.db2.gz BHVSTGUCCMLBOO-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001209514193 854034217 /nfs/dbraw/zinc/03/42/17/854034217.db2.gz ILKDIVSFCXTGQK-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001209514193 854034225 /nfs/dbraw/zinc/03/42/25/854034225.db2.gz ILKDIVSFCXTGQK-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001209642896 854043786 /nfs/dbraw/zinc/04/37/86/854043786.db2.gz RMZCUMLLYIUXQV-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210033008 854071688 /nfs/dbraw/zinc/07/16/88/854071688.db2.gz FHMNQDTTXNELLI-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210033008 854071694 /nfs/dbraw/zinc/07/16/94/854071694.db2.gz FHMNQDTTXNELLI-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210033008 854071699 /nfs/dbraw/zinc/07/16/99/854071699.db2.gz FHMNQDTTXNELLI-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298906 854098866 /nfs/dbraw/zinc/09/88/66/854098866.db2.gz TYLPCAPPFCMCGT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298906 854098873 /nfs/dbraw/zinc/09/88/73/854098873.db2.gz TYLPCAPPFCMCGT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210298906 854098875 /nfs/dbraw/zinc/09/88/75/854098875.db2.gz TYLPCAPPFCMCGT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210298906 854098879 /nfs/dbraw/zinc/09/88/79/854098879.db2.gz TYLPCAPPFCMCGT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001210486209 854114630 /nfs/dbraw/zinc/11/46/30/854114630.db2.gz OUECUXKXFOLDLL-NVXWUHKLSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001210486209 854114635 /nfs/dbraw/zinc/11/46/35/854114635.db2.gz OUECUXKXFOLDLL-NVXWUHKLSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001210486209 854114639 /nfs/dbraw/zinc/11/46/39/854114639.db2.gz OUECUXKXFOLDLL-NVXWUHKLSA-N 2 1 356.511 0.308 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094887 854157195 /nfs/dbraw/zinc/15/71/95/854157195.db2.gz WVXUYVOWZKAYGS-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310694 854176134 /nfs/dbraw/zinc/17/61/34/854176134.db2.gz UTUVHSNGNBRCQQ-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310694 854176139 /nfs/dbraw/zinc/17/61/39/854176139.db2.gz UTUVHSNGNBRCQQ-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349766 854179083 /nfs/dbraw/zinc/17/90/83/854179083.db2.gz KNKPVZLNCAFNBF-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353260 854448267 /nfs/dbraw/zinc/44/82/67/854448267.db2.gz NUMDVWGAMLOCPR-BRWVUGGUSA-N 2 1 359.486 0.908 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486976 854499527 /nfs/dbraw/zinc/49/95/27/854499527.db2.gz MJZLSHVXPIHLLS-JHJVBQTASA-N 2 1 369.428 0.845 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486976 854499531 /nfs/dbraw/zinc/49/95/31/854499531.db2.gz MJZLSHVXPIHLLS-JHJVBQTASA-N 2 1 369.428 0.845 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486976 854499536 /nfs/dbraw/zinc/49/95/36/854499536.db2.gz MJZLSHVXPIHLLS-JHJVBQTASA-N 2 1 369.428 0.845 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486976 854499541 /nfs/dbraw/zinc/49/95/41/854499541.db2.gz MJZLSHVXPIHLLS-JHJVBQTASA-N 2 1 369.428 0.845 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328801 854576425 /nfs/dbraw/zinc/57/64/25/854576425.db2.gz AJRFRAVEOIZCTK-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328801 854576429 /nfs/dbraw/zinc/57/64/29/854576429.db2.gz AJRFRAVEOIZCTK-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328801 854576432 /nfs/dbraw/zinc/57/64/32/854576432.db2.gz AJRFRAVEOIZCTK-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328801 854576436 /nfs/dbraw/zinc/57/64/36/854576436.db2.gz AJRFRAVEOIZCTK-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342219 854582558 /nfs/dbraw/zinc/58/25/58/854582558.db2.gz MJQCDYCYZPCBIZ-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342219 854582564 /nfs/dbraw/zinc/58/25/64/854582564.db2.gz MJQCDYCYZPCBIZ-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346539 854583665 /nfs/dbraw/zinc/58/36/65/854583665.db2.gz RLAZWIPGQHCONB-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348148 854584406 /nfs/dbraw/zinc/58/44/06/854584406.db2.gz FVDCGZOFXSCTRU-HUUCEWRRSA-N 2 1 370.519 0.375 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348148 854584416 /nfs/dbraw/zinc/58/44/16/854584416.db2.gz FVDCGZOFXSCTRU-HUUCEWRRSA-N 2 1 370.519 0.375 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378620 854594688 /nfs/dbraw/zinc/59/46/88/854594688.db2.gz ZICACSPEKKLRSZ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC)[NH+](C)C ZINC001213457809 854625318 /nfs/dbraw/zinc/62/53/18/854625318.db2.gz DVOYRUXQDSWXCG-OWCLPIDISA-N 2 1 352.483 0.051 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526631 854653349 /nfs/dbraw/zinc/65/33/49/854653349.db2.gz ROOCUNWUGZQXBX-HUUCEWRRSA-N 2 1 363.449 0.815 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526631 854653351 /nfs/dbraw/zinc/65/33/51/854653351.db2.gz ROOCUNWUGZQXBX-HUUCEWRRSA-N 2 1 363.449 0.815 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580404 854674461 /nfs/dbraw/zinc/67/44/61/854674461.db2.gz AZZWBZQHSXFTFQ-HUUCEWRRSA-N 2 1 361.433 0.569 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580404 854674467 /nfs/dbraw/zinc/67/44/67/854674467.db2.gz AZZWBZQHSXFTFQ-HUUCEWRRSA-N 2 1 361.433 0.569 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC)C(C)C ZINC001213592778 854678301 /nfs/dbraw/zinc/67/83/01/854678301.db2.gz DTZOTMKAUPPRLW-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213671581 854708500 /nfs/dbraw/zinc/70/85/00/854708500.db2.gz MXGFMAMQGUIUQQ-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213671581 854708506 /nfs/dbraw/zinc/70/85/06/854708506.db2.gz MXGFMAMQGUIUQQ-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213671581 854708516 /nfs/dbraw/zinc/70/85/16/854708516.db2.gz MXGFMAMQGUIUQQ-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728814 854739643 /nfs/dbraw/zinc/73/96/43/854739643.db2.gz UHVSGXSEKPNFKW-IAGOWNOFSA-N 2 1 353.438 0.719 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728814 854739648 /nfs/dbraw/zinc/73/96/48/854739648.db2.gz UHVSGXSEKPNFKW-IAGOWNOFSA-N 2 1 353.438 0.719 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCC1 ZINC001213730551 854740840 /nfs/dbraw/zinc/74/08/40/854740840.db2.gz QOBYIMAOEPEJMO-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001213764774 854757125 /nfs/dbraw/zinc/75/71/25/854757125.db2.gz BUQZEAAYOCUBMD-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001213764774 854757132 /nfs/dbraw/zinc/75/71/32/854757132.db2.gz BUQZEAAYOCUBMD-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001213764774 854757141 /nfs/dbraw/zinc/75/71/41/854757141.db2.gz BUQZEAAYOCUBMD-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001213764774 854757148 /nfs/dbraw/zinc/75/71/48/854757148.db2.gz BUQZEAAYOCUBMD-RBSFLKMASA-N 2 1 363.449 0.958 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863270 854798005 /nfs/dbraw/zinc/79/80/05/854798005.db2.gz JCCXCGWUJPMFBL-BRWVUGGUSA-N 2 1 359.486 0.910 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892761 854813996 /nfs/dbraw/zinc/81/39/96/854813996.db2.gz PHVXHCCYBJHVLS-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892761 854814001 /nfs/dbraw/zinc/81/40/01/854814001.db2.gz PHVXHCCYBJHVLS-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892761 854814004 /nfs/dbraw/zinc/81/40/04/854814004.db2.gz PHVXHCCYBJHVLS-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892761 854814011 /nfs/dbraw/zinc/81/40/11/854814011.db2.gz PHVXHCCYBJHVLS-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927351 854829548 /nfs/dbraw/zinc/82/95/48/854829548.db2.gz DYVOOPWPYHRZMP-HZPDHXFCSA-N 2 1 350.463 0.041 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927351 854829541 /nfs/dbraw/zinc/82/95/41/854829541.db2.gz DYVOOPWPYHRZMP-HZPDHXFCSA-N 2 1 350.463 0.041 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927351 854829545 /nfs/dbraw/zinc/82/95/45/854829545.db2.gz DYVOOPWPYHRZMP-HZPDHXFCSA-N 2 1 350.463 0.041 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927351 854829550 /nfs/dbraw/zinc/82/95/50/854829550.db2.gz DYVOOPWPYHRZMP-HZPDHXFCSA-N 2 1 350.463 0.041 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855799 855023750 /nfs/dbraw/zinc/02/37/50/855023750.db2.gz OCHPPNBCXBJMQV-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001214990486 855048221 /nfs/dbraw/zinc/04/82/21/855048221.db2.gz RZBMRWZPCGBCSH-ZIAGYGMSSA-N 2 1 352.479 0.302 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001214997561 855049780 /nfs/dbraw/zinc/04/97/80/855049780.db2.gz JOUFEQANBKDOSI-QLFBSQMISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215036021 855055610 /nfs/dbraw/zinc/05/56/10/855055610.db2.gz LWRWAIXPYLMNBL-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162385 855075770 /nfs/dbraw/zinc/07/57/70/855075770.db2.gz QPQPAXXUZAYUTE-IIAWOOMASA-N 2 1 350.463 0.206 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215388484 855107386 /nfs/dbraw/zinc/10/73/86/855107386.db2.gz FWNPWICQBMLSDM-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539885 855126100 /nfs/dbraw/zinc/12/61/00/855126100.db2.gz BNHFIZCUMJGLKO-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215536087 855126663 /nfs/dbraw/zinc/12/66/63/855126663.db2.gz HQXVPWCDYQQCDY-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnon2)C1)[NH+]1CCCC1 ZINC001215598424 855131396 /nfs/dbraw/zinc/13/13/96/855131396.db2.gz AYSZTUPWEXCTKK-IIAWOOMASA-N 2 1 351.451 0.507 20 0 FCADMP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)[NH+]1CCCCCC1 ZINC001215774229 855145010 /nfs/dbraw/zinc/14/50/10/855145010.db2.gz LRPKYWMCNXVDKO-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001216384109 855197467 /nfs/dbraw/zinc/19/74/67/855197467.db2.gz YDZKRYUKIXXPQK-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001216511020 855209408 /nfs/dbraw/zinc/20/94/08/855209408.db2.gz IUVCAUSGERWBIA-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001216754166 855232811 /nfs/dbraw/zinc/23/28/11/855232811.db2.gz JRVBJELGPYITEF-MRVWCRGKSA-N 2 1 365.503 0.778 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001216757647 855233896 /nfs/dbraw/zinc/23/38/96/855233896.db2.gz HMXSRSJJQWKZNZ-GZBFAFLISA-N 2 1 356.492 0.309 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801011 855247275 /nfs/dbraw/zinc/24/72/75/855247275.db2.gz GYLYOPPZUWFQKB-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801011 855247277 /nfs/dbraw/zinc/24/72/77/855247277.db2.gz GYLYOPPZUWFQKB-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216852108 855259654 /nfs/dbraw/zinc/25/96/54/855259654.db2.gz PAMCQNMXBFMPCQ-HUUCEWRRSA-N 2 1 362.540 0.045 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216852395 855260644 /nfs/dbraw/zinc/26/06/44/855260644.db2.gz XVLGSXSIEBAZDU-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853880 855260799 /nfs/dbraw/zinc/26/07/99/855260799.db2.gz NUOMEZCGSKDNGW-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnc(CN3CCCC[C@H]([NH3+])C3=O)o2)C[C@H](C)O1 ZINC001217726826 855369642 /nfs/dbraw/zinc/36/96/42/855369642.db2.gz NLQQURGAZWBRHP-MJBXVCDLSA-N 2 1 351.451 0.561 20 0 FCADMP C[C@@H]1C[N@H+](CCc2nnc(CN3CCCC[C@H]([NH3+])C3=O)o2)C[C@H](C)O1 ZINC001217726826 855369647 /nfs/dbraw/zinc/36/96/47/855369647.db2.gz NLQQURGAZWBRHP-MJBXVCDLSA-N 2 1 351.451 0.561 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnc([C@@H](N)CN3CCC([NH3+])CC3)o2)C[C@@H](C)O1 ZINC001217757393 855372930 /nfs/dbraw/zinc/37/29/30/855372930.db2.gz LHEZJASPSVGFHF-NFAWXSAZSA-N 2 1 352.483 0.144 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001218129905 855399234 /nfs/dbraw/zinc/39/92/34/855399234.db2.gz RSLPTTRSDBMCFS-IQJOONFLSA-N 2 1 352.391 0.061 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001218290584 855412337 /nfs/dbraw/zinc/41/23/37/855412337.db2.gz AHORWWGHCMSKIN-NSHDSACASA-N 2 1 352.435 0.622 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001218290582 855412368 /nfs/dbraw/zinc/41/23/68/855412368.db2.gz AHORWWGHCMSKIN-LLVKDONJSA-N 2 1 352.435 0.622 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645642 855457497 /nfs/dbraw/zinc/45/74/97/855457497.db2.gz KYWQKPYBTGTPRA-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645642 855457500 /nfs/dbraw/zinc/45/75/00/855457500.db2.gz KYWQKPYBTGTPRA-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645642 855457504 /nfs/dbraw/zinc/45/75/04/855457504.db2.gz KYWQKPYBTGTPRA-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]21 ZINC001218971293 855505277 /nfs/dbraw/zinc/50/52/77/855505277.db2.gz WIAWBWJKGBGCDI-ZWKOTPCHSA-N 2 1 351.491 0.977 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)C1CC1 ZINC001219033402 855518572 /nfs/dbraw/zinc/51/85/72/855518572.db2.gz JOROXDXXBXBGBC-OKZBNKHCSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032135 855518747 /nfs/dbraw/zinc/51/87/47/855518747.db2.gz RHHABGIJSHUKDC-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032135 855518750 /nfs/dbraw/zinc/51/87/50/855518750.db2.gz RHHABGIJSHUKDC-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032135 855518755 /nfs/dbraw/zinc/51/87/55/855518755.db2.gz RHHABGIJSHUKDC-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032135 855518759 /nfs/dbraw/zinc/51/87/59/855518759.db2.gz RHHABGIJSHUKDC-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@@H]1O ZINC001219726313 855787877 /nfs/dbraw/zinc/78/78/77/855787877.db2.gz XDHHUNFMPUVLQA-ZACQAIPSSA-N 2 1 361.502 0.890 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@@H]1O ZINC001219726313 855787880 /nfs/dbraw/zinc/78/78/80/855787880.db2.gz XDHHUNFMPUVLQA-ZACQAIPSSA-N 2 1 361.502 0.890 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219731867 855789668 /nfs/dbraw/zinc/78/96/68/855789668.db2.gz INZLHQZOQTZZTA-MJBXVCDLSA-N 2 1 351.413 0.873 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732173 855789911 /nfs/dbraw/zinc/78/99/11/855789911.db2.gz PKIKIYLWVPTUIG-ZACQAIPSSA-N 2 1 359.486 0.644 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219794383 855816175 /nfs/dbraw/zinc/81/61/75/855816175.db2.gz YFYIPHRMQWCXJD-KRWDZBQOSA-N 2 1 350.507 0.335 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814182 855829294 /nfs/dbraw/zinc/82/92/94/855829294.db2.gz WUXPAXGYXQIFIO-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814182 855829300 /nfs/dbraw/zinc/82/93/00/855829300.db2.gz WUXPAXGYXQIFIO-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219814182 855829307 /nfs/dbraw/zinc/82/93/07/855829307.db2.gz WUXPAXGYXQIFIO-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823324 855832084 /nfs/dbraw/zinc/83/20/84/855832084.db2.gz PFRWZJJPTRXCLQ-KBPBESRZSA-N 3 1 350.488 0.461 20 0 FCADMP CN1C[C@@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823324 855832089 /nfs/dbraw/zinc/83/20/89/855832089.db2.gz PFRWZJJPTRXCLQ-KBPBESRZSA-N 2 1 350.488 0.461 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203920 856007210 /nfs/dbraw/zinc/00/72/10/856007210.db2.gz UXJZHUMKFOCCFL-ZNMIVQPWSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203920 856007215 /nfs/dbraw/zinc/00/72/15/856007215.db2.gz UXJZHUMKFOCCFL-ZNMIVQPWSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203920 856007217 /nfs/dbraw/zinc/00/72/17/856007217.db2.gz UXJZHUMKFOCCFL-ZNMIVQPWSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203920 856007219 /nfs/dbraw/zinc/00/72/19/856007219.db2.gz UXJZHUMKFOCCFL-ZNMIVQPWSA-N 2 1 363.449 0.551 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367263 856087277 /nfs/dbraw/zinc/08/72/77/856087277.db2.gz QKXHQTSONQDWLD-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367263 856087280 /nfs/dbraw/zinc/08/72/80/856087280.db2.gz QKXHQTSONQDWLD-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367263 856087289 /nfs/dbraw/zinc/08/72/89/856087289.db2.gz QKXHQTSONQDWLD-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367263 856087300 /nfs/dbraw/zinc/08/73/00/856087300.db2.gz QKXHQTSONQDWLD-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388026 856102309 /nfs/dbraw/zinc/10/23/09/856102309.db2.gz YCGVKBFQOYVBPS-OIISXLGYSA-N 2 1 367.515 0.910 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388026 856102314 /nfs/dbraw/zinc/10/23/14/856102314.db2.gz YCGVKBFQOYVBPS-OIISXLGYSA-N 2 1 367.515 0.910 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220547890 856178761 /nfs/dbraw/zinc/17/87/61/856178761.db2.gz METZTLLFNAONFT-ZACQAIPSSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220547890 856178762 /nfs/dbraw/zinc/17/87/62/856178762.db2.gz METZTLLFNAONFT-ZACQAIPSSA-N 2 1 350.463 0.560 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001220548165 856180145 /nfs/dbraw/zinc/18/01/45/856180145.db2.gz ZTIYKUTZONUKQD-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001220548165 856180150 /nfs/dbraw/zinc/18/01/50/856180150.db2.gz ZTIYKUTZONUKQD-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)C(C)C ZINC001220572683 856189519 /nfs/dbraw/zinc/18/95/19/856189519.db2.gz GHQHNTQKHKUCAI-IKGGRYGDSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C(C)C ZINC001220572683 856189526 /nfs/dbraw/zinc/18/95/26/856189526.db2.gz GHQHNTQKHKUCAI-IKGGRYGDSA-N 2 1 351.495 0.411 20 0 FCADMP N[C@@H]1C[C@]2(C(=O)N[C@@H](C[NH3+])c3ccc(Br)cc3)CC[C@H]1[NH2+]2 ZINC001220607938 856204966 /nfs/dbraw/zinc/20/49/66/856204966.db2.gz QBYPRNMFRYWJPX-CXTNEJHOSA-N 2 1 353.264 0.787 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001220768636 856291321 /nfs/dbraw/zinc/29/13/21/856291321.db2.gz WFPDWQDHAKWESR-ZNMIVQPWSA-N 2 1 363.449 0.551 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220799289 856306916 /nfs/dbraw/zinc/30/69/16/856306916.db2.gz UXGMFEZTLNYPSJ-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220799289 856306921 /nfs/dbraw/zinc/30/69/21/856306921.db2.gz UXGMFEZTLNYPSJ-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220817386 856320177 /nfs/dbraw/zinc/32/01/77/856320177.db2.gz UPVNLPVFTSHKNW-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220817386 856320182 /nfs/dbraw/zinc/32/01/82/856320182.db2.gz UPVNLPVFTSHKNW-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220817386 856320189 /nfs/dbraw/zinc/32/01/89/856320189.db2.gz UPVNLPVFTSHKNW-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220817386 856320197 /nfs/dbraw/zinc/32/01/97/856320197.db2.gz UPVNLPVFTSHKNW-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220822099 856323287 /nfs/dbraw/zinc/32/32/87/856323287.db2.gz OBJCVJPSBHIQPO-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220822099 856323295 /nfs/dbraw/zinc/32/32/95/856323295.db2.gz OBJCVJPSBHIQPO-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220822099 856323302 /nfs/dbraw/zinc/32/33/02/856323302.db2.gz OBJCVJPSBHIQPO-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001221081398 856452741 /nfs/dbraw/zinc/45/27/41/856452741.db2.gz JSWDCJTZGWJSMT-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001221254177 856529785 /nfs/dbraw/zinc/52/97/85/856529785.db2.gz IHHMDRMCUIZGES-JKSUJKDBSA-N 2 1 364.515 0.431 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642650 856636041 /nfs/dbraw/zinc/63/60/41/856636041.db2.gz BXQYDMNJTUGIGV-IXDOHACOSA-N 2 1 351.491 0.402 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656993 856642641 /nfs/dbraw/zinc/64/26/41/856642641.db2.gz FDIVQEKZVYTLBJ-MGPQQGTHSA-N 2 1 350.463 0.055 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656993 856642644 /nfs/dbraw/zinc/64/26/44/856642644.db2.gz FDIVQEKZVYTLBJ-MGPQQGTHSA-N 2 1 350.463 0.055 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656993 856642649 /nfs/dbraw/zinc/64/26/49/856642649.db2.gz FDIVQEKZVYTLBJ-MGPQQGTHSA-N 2 1 350.463 0.055 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656993 856642653 /nfs/dbraw/zinc/64/26/53/856642653.db2.gz FDIVQEKZVYTLBJ-MGPQQGTHSA-N 2 1 350.463 0.055 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772299 856677171 /nfs/dbraw/zinc/67/71/71/856677171.db2.gz TVYOGMIXQOGNPA-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772299 856677177 /nfs/dbraw/zinc/67/71/77/856677177.db2.gz TVYOGMIXQOGNPA-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921785 856734803 /nfs/dbraw/zinc/73/48/03/856734803.db2.gz JDZXIXIKGVXISJ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921785 856734809 /nfs/dbraw/zinc/73/48/09/856734809.db2.gz JDZXIXIKGVXISJ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921785 856734815 /nfs/dbraw/zinc/73/48/15/856734815.db2.gz JDZXIXIKGVXISJ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221921785 856734818 /nfs/dbraw/zinc/73/48/18/856734818.db2.gz JDZXIXIKGVXISJ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CCc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947130 856744756 /nfs/dbraw/zinc/74/47/56/856744756.db2.gz TUCZCLKJLUDJGL-RHSMWYFYSA-N 2 1 350.463 0.848 20 0 FCADMP CCc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947130 856744760 /nfs/dbraw/zinc/74/47/60/856744760.db2.gz TUCZCLKJLUDJGL-RHSMWYFYSA-N 2 1 350.463 0.848 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968974 856752538 /nfs/dbraw/zinc/75/25/38/856752538.db2.gz KFAFAKLBTDYVKN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968974 856752546 /nfs/dbraw/zinc/75/25/46/856752546.db2.gz KFAFAKLBTDYVKN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968974 856752548 /nfs/dbraw/zinc/75/25/48/856752548.db2.gz KFAFAKLBTDYVKN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968974 856752553 /nfs/dbraw/zinc/75/25/53/856752553.db2.gz KFAFAKLBTDYVKN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018155 856768665 /nfs/dbraw/zinc/76/86/65/856768665.db2.gz PNWJTSGSXBFCDV-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026878 856776240 /nfs/dbraw/zinc/77/62/40/856776240.db2.gz CMDRGVFMVASGAH-FGTMMUONSA-N 2 1 353.507 0.793 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438110 856840092 /nfs/dbraw/zinc/84/00/92/856840092.db2.gz HLGXXXVXWXEFBH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438110 856840095 /nfs/dbraw/zinc/84/00/95/856840095.db2.gz HLGXXXVXWXEFBH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222438110 856840097 /nfs/dbraw/zinc/84/00/97/856840097.db2.gz HLGXXXVXWXEFBH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222438110 856840099 /nfs/dbraw/zinc/84/00/99/856840099.db2.gz HLGXXXVXWXEFBH-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222892437 856880735 /nfs/dbraw/zinc/88/07/35/856880735.db2.gz OOIKITXQTADJHZ-CVEARBPZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222892437 856880740 /nfs/dbraw/zinc/88/07/40/856880740.db2.gz OOIKITXQTADJHZ-CVEARBPZSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891613 856880783 /nfs/dbraw/zinc/88/07/83/856880783.db2.gz GIRUNPGGTUZDFU-HFTRVMKXSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891613 856880788 /nfs/dbraw/zinc/88/07/88/856880788.db2.gz GIRUNPGGTUZDFU-HFTRVMKXSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058581 856894072 /nfs/dbraw/zinc/89/40/72/856894072.db2.gz SWTGKYQDWSBGFP-ZACQAIPSSA-N 2 1 351.491 0.545 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354666 856910691 /nfs/dbraw/zinc/91/06/91/856910691.db2.gz OZEWJDOIZMNWIS-RZFLPCETSA-N 2 1 353.507 0.647 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354666 856910694 /nfs/dbraw/zinc/91/06/94/856910694.db2.gz OZEWJDOIZMNWIS-RZFLPCETSA-N 2 1 353.507 0.647 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354666 856910696 /nfs/dbraw/zinc/91/06/96/856910696.db2.gz OZEWJDOIZMNWIS-RZFLPCETSA-N 2 1 353.507 0.647 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223378067 856912079 /nfs/dbraw/zinc/91/20/79/856912079.db2.gz CVKBVOPAUAFURU-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498881 856920938 /nfs/dbraw/zinc/92/09/38/856920938.db2.gz CUAVXJHVUUQVMR-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498881 856920942 /nfs/dbraw/zinc/92/09/42/856920942.db2.gz CUAVXJHVUUQVMR-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498881 856920944 /nfs/dbraw/zinc/92/09/44/856920944.db2.gz CUAVXJHVUUQVMR-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498881 856920947 /nfs/dbraw/zinc/92/09/47/856920947.db2.gz CUAVXJHVUUQVMR-ZACQAIPSSA-N 2 1 371.547 0.828 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223499438 856922022 /nfs/dbraw/zinc/92/20/22/856922022.db2.gz ITYMVVMFZRGYQU-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223499438 856922032 /nfs/dbraw/zinc/92/20/32/856922032.db2.gz ITYMVVMFZRGYQU-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223499438 856922038 /nfs/dbraw/zinc/92/20/38/856922038.db2.gz ITYMVVMFZRGYQU-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223499438 856922044 /nfs/dbraw/zinc/92/20/44/856922044.db2.gz ITYMVVMFZRGYQU-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505619 856922229 /nfs/dbraw/zinc/92/22/29/856922229.db2.gz KUQBBLAVYYUICN-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505619 856922234 /nfs/dbraw/zinc/92/22/34/856922234.db2.gz KUQBBLAVYYUICN-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505619 856922237 /nfs/dbraw/zinc/92/22/37/856922237.db2.gz KUQBBLAVYYUICN-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)[C@H]2C1 ZINC001223916250 856951029 /nfs/dbraw/zinc/95/10/29/856951029.db2.gz CPDXDTXQRZLIED-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP Cc1oncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916245 856951228 /nfs/dbraw/zinc/95/12/28/856951228.db2.gz CKRUCRZQCFJLPY-WBVHZDCISA-N 2 1 350.463 0.984 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916324 856951314 /nfs/dbraw/zinc/95/13/14/856951314.db2.gz GUWNFSAQDZWCLH-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916324 856951319 /nfs/dbraw/zinc/95/13/19/856951319.db2.gz GUWNFSAQDZWCLH-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916324 856951323 /nfs/dbraw/zinc/95/13/23/856951323.db2.gz GUWNFSAQDZWCLH-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916324 856951326 /nfs/dbraw/zinc/95/13/26/856951326.db2.gz GUWNFSAQDZWCLH-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)CS(C)(=O)=O ZINC001224139848 856962345 /nfs/dbraw/zinc/96/23/45/856962345.db2.gz DPNAQOCZRDWUJY-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H](C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)CS(C)(=O)=O ZINC001224139848 856962348 /nfs/dbraw/zinc/96/23/48/856962348.db2.gz DPNAQOCZRDWUJY-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224245909 856973970 /nfs/dbraw/zinc/97/39/70/856973970.db2.gz KJPHHDIOSVYHSI-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224245909 856973972 /nfs/dbraw/zinc/97/39/72/856973972.db2.gz KJPHHDIOSVYHSI-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224245909 856973975 /nfs/dbraw/zinc/97/39/75/856973975.db2.gz KJPHHDIOSVYHSI-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001227150562 857146522 /nfs/dbraw/zinc/14/65/22/857146522.db2.gz UGWVTEZJCGMUCE-HUUCEWRRSA-N 2 1 353.511 0.759 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001227455140 857160701 /nfs/dbraw/zinc/16/07/01/857160701.db2.gz ZOJLBYIIBKRQQW-JKSUJKDBSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001227455140 857160707 /nfs/dbraw/zinc/16/07/07/857160707.db2.gz ZOJLBYIIBKRQQW-JKSUJKDBSA-N 2 1 359.536 0.732 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229524719 857273235 /nfs/dbraw/zinc/27/32/35/857273235.db2.gz REVWJWOLFLKFPK-MGPQQGTHSA-N 2 1 355.483 0.189 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215451 857314787 /nfs/dbraw/zinc/31/47/87/857314787.db2.gz OJHIEMVSXFLBBN-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215451 857314793 /nfs/dbraw/zinc/31/47/93/857314793.db2.gz OJHIEMVSXFLBBN-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230274663 857322338 /nfs/dbraw/zinc/32/23/38/857322338.db2.gz FEPGVHHQHWYAAV-MGPQQGTHSA-N 2 1 353.467 0.073 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284383 857322633 /nfs/dbraw/zinc/32/26/33/857322633.db2.gz BIKJMTFBNJYVKN-HZPDHXFCSA-N 2 1 356.511 0.496 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024951 857435743 /nfs/dbraw/zinc/43/57/43/857435743.db2.gz SSVICVLLLFWKGU-UZVBGSJOSA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024951 857435745 /nfs/dbraw/zinc/43/57/45/857435745.db2.gz SSVICVLLLFWKGU-UZVBGSJOSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024951 857435749 /nfs/dbraw/zinc/43/57/49/857435749.db2.gz SSVICVLLLFWKGU-UZVBGSJOSA-N 3 1 357.445 0.808 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001238394273 857470928 /nfs/dbraw/zinc/47/09/28/857470928.db2.gz LYZMKUHBENZKOG-UHFFFAOYSA-N 2 1 367.515 0.938 20 0 FCADMP CCOC(=O)c1sc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])nc1C ZINC001238879708 857485584 /nfs/dbraw/zinc/48/55/84/857485584.db2.gz VHCGWPVGRGIRTL-UHFFFAOYSA-N 2 1 364.493 0.235 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238903257 857488119 /nfs/dbraw/zinc/48/81/19/857488119.db2.gz IZYDGSWVSWPYKZ-AWEZNQCLSA-N 2 1 363.524 0.745 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502806 862918949 /nfs/dbraw/zinc/91/89/49/862918949.db2.gz XTBTXQCZWQQYQR-YESZJQIVSA-N 2 1 358.552 0.778 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001279502806 862918958 /nfs/dbraw/zinc/91/89/58/862918958.db2.gz XTBTXQCZWQQYQR-YESZJQIVSA-N 2 1 358.552 0.778 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[NH+](C[C@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001279502806 862918972 /nfs/dbraw/zinc/91/89/72/862918972.db2.gz XTBTXQCZWQQYQR-YESZJQIVSA-N 2 1 358.552 0.778 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC001239142988 857522368 /nfs/dbraw/zinc/52/23/68/857522368.db2.gz CUWZOFNVNPIFPJ-UHFFFAOYSA-N 3 1 358.552 0.275 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246020812 857564792 /nfs/dbraw/zinc/56/47/92/857564792.db2.gz JZHSJUICNCVSHW-BRWVUGGUSA-N 2 1 350.459 0.896 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246020812 857564804 /nfs/dbraw/zinc/56/48/04/857564804.db2.gz JZHSJUICNCVSHW-BRWVUGGUSA-N 2 1 350.459 0.896 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001246048644 857566790 /nfs/dbraw/zinc/56/67/90/857566790.db2.gz ZGZVGURQYHDVFU-CKIDTQIGSA-N 2 1 350.459 0.521 20 0 FCADMP COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1C(=O)OC ZINC001246138161 857569574 /nfs/dbraw/zinc/56/95/74/857569574.db2.gz ATXOHVHWXQHQRU-XQLPTFJDSA-N 2 1 353.463 0.191 20 0 FCADMP O=C([C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)C[NH2+]1)N1CCSC1 ZINC001246185678 857570404 /nfs/dbraw/zinc/57/04/04/857570404.db2.gz VIUDSJJQHVSRCH-XHSDSOJGSA-N 2 1 368.547 0.388 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCN[C@@H](C(F)(F)F)C1)C2 ZINC001246674358 857589571 /nfs/dbraw/zinc/58/95/71/857589571.db2.gz RXNGWBOCGRUEIC-HHULCRSBSA-N 2 1 361.408 1.000 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709342 857591983 /nfs/dbraw/zinc/59/19/83/857591983.db2.gz NMDLQJLYBRMYDS-FGTAOJJYSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709342 857591995 /nfs/dbraw/zinc/59/19/95/857591995.db2.gz NMDLQJLYBRMYDS-FGTAOJJYSA-N 2 1 351.491 0.902 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C[NH2+]1 ZINC001246724013 857593345 /nfs/dbraw/zinc/59/33/45/857593345.db2.gz SWBYNVRHRFCJNW-VUHPKUFZSA-N 2 1 351.491 0.570 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C[NH2+]1 ZINC001246724013 857593348 /nfs/dbraw/zinc/59/33/48/857593348.db2.gz SWBYNVRHRFCJNW-VUHPKUFZSA-N 2 1 351.491 0.570 20 0 FCADMP C(O[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246713245 857594282 /nfs/dbraw/zinc/59/42/82/857594282.db2.gz DRPSIXUAWLCORX-XMTFNYHQSA-N 2 1 351.491 0.223 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246764251 857599702 /nfs/dbraw/zinc/59/97/02/857599702.db2.gz JTOLSDFGULSFPN-XLAORIBOSA-N 2 1 351.491 0.713 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246764251 857599708 /nfs/dbraw/zinc/59/97/08/857599708.db2.gz JTOLSDFGULSFPN-XLAORIBOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOC(=O)CCC(CCC(=O)OCC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859361 857603509 /nfs/dbraw/zinc/60/35/09/857603509.db2.gz KITPXXDKAQZKJE-UUVAVEHKSA-N 2 1 356.463 0.947 20 0 FCADMP CCOC(=O)CCC(CCC(=O)OCC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859361 857603511 /nfs/dbraw/zinc/60/35/11/857603511.db2.gz KITPXXDKAQZKJE-UUVAVEHKSA-N 2 1 356.463 0.947 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246925736 857606633 /nfs/dbraw/zinc/60/66/33/857606633.db2.gz PDWRZKLDCMPWSY-HNNXBMFYSA-N 3 1 354.445 0.938 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246925736 857606637 /nfs/dbraw/zinc/60/66/37/857606637.db2.gz PDWRZKLDCMPWSY-HNNXBMFYSA-N 3 1 354.445 0.938 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CN[C@@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007264 857609109 /nfs/dbraw/zinc/60/91/09/857609109.db2.gz KBJZTCVMWSVUGH-QWQRMKEZSA-N 2 1 353.463 0.145 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416378 857798882 /nfs/dbraw/zinc/79/88/82/857798882.db2.gz XDPXTVMCZMWHRN-GDBMZVCRSA-N 2 1 352.431 0.869 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001253184529 857868742 /nfs/dbraw/zinc/86/87/42/857868742.db2.gz GQSFDSZGMPQQPX-LUKYLMHMSA-N 2 1 356.511 0.297 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001253184529 857868750 /nfs/dbraw/zinc/86/87/50/857868750.db2.gz GQSFDSZGMPQQPX-LUKYLMHMSA-N 2 1 356.511 0.297 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001253184333 857869558 /nfs/dbraw/zinc/86/95/58/857869558.db2.gz DXKFXPYUOUQILE-BDXSIMOUSA-N 2 1 355.523 0.798 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209380 857873344 /nfs/dbraw/zinc/87/33/44/857873344.db2.gz BDUOTYRDZOPLTI-KGLIPLIRSA-N 2 1 361.483 0.735 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001253410834 857887523 /nfs/dbraw/zinc/88/75/23/857887523.db2.gz SVRLWYLSEWSGJM-MRXNPFEDSA-N 2 1 369.531 0.910 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)CCC1=O ZINC001255986768 858044965 /nfs/dbraw/zinc/04/49/65/858044965.db2.gz KFSVUUQDKQDDMY-UHFFFAOYSA-N 2 1 364.412 0.636 20 0 FCADMP O=C(NCC(F)(F)F)N1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001279614958 862980685 /nfs/dbraw/zinc/98/06/85/862980685.db2.gz IOFYNBYZYIVWON-BETUJISGSA-N 2 1 350.385 0.643 20 0 FCADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001257726511 858157402 /nfs/dbraw/zinc/15/74/02/858157402.db2.gz IHXDZLXMRUJJOR-BZUAXINKSA-N 2 1 356.463 0.818 20 0 FCADMP CSC1(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764507 859206506 /nfs/dbraw/zinc/20/65/06/859206506.db2.gz LFVNSJYQBUFIGB-HUUCEWRRSA-N 2 1 357.568 0.747 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@@H]2CCCS(=O)(=O)C2)C2CC2)CC[N@@H+]1C ZINC001266591909 859484510 /nfs/dbraw/zinc/48/45/10/859484510.db2.gz BIYUQKADOCDLNX-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@@H]2CCCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001266591909 859484516 /nfs/dbraw/zinc/48/45/16/859484516.db2.gz BIYUQKADOCDLNX-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001266591909 859484521 /nfs/dbraw/zinc/48/45/21/859484521.db2.gz BIYUQKADOCDLNX-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001266591909 859484528 /nfs/dbraw/zinc/48/45/28/859484528.db2.gz BIYUQKADOCDLNX-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP CCN(CC[NH2+][C@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451132 859533267 /nfs/dbraw/zinc/53/32/67/859533267.db2.gz DVAUTDFUAHELAG-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001270155043 859668637 /nfs/dbraw/zinc/66/86/37/859668637.db2.gz DIOAUNMMWUDQIE-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651464 859984793 /nfs/dbraw/zinc/98/47/93/859984793.db2.gz UIRFALRQMFVOAR-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658690 859988365 /nfs/dbraw/zinc/98/83/65/859988365.db2.gz TZPVTWBFJPVMPD-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CO)n3ccnc3)[C@@H]2C1 ZINC001272468335 860161154 /nfs/dbraw/zinc/16/11/54/860161154.db2.gz YAXFXQIKKQCHSP-ZNMIVQPWSA-N 2 1 361.471 0.914 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001272744865 860245086 /nfs/dbraw/zinc/24/50/86/860245086.db2.gz LNOQLBSMBLCSSI-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)CC1 ZINC001273334443 860457376 /nfs/dbraw/zinc/45/73/76/860457376.db2.gz YTOMLBNLTFLTGL-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)CC1 ZINC001273334443 860457382 /nfs/dbraw/zinc/45/73/82/860457382.db2.gz YTOMLBNLTFLTGL-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001273453155 860493922 /nfs/dbraw/zinc/49/39/22/860493922.db2.gz HRALCINMALATLC-HZPDHXFCSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001273515069 860515566 /nfs/dbraw/zinc/51/55/66/860515566.db2.gz PXXVZDWSTAWDJK-CHWSQXEVSA-N 2 1 368.507 0.597 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001273515069 860515568 /nfs/dbraw/zinc/51/55/68/860515568.db2.gz PXXVZDWSTAWDJK-CHWSQXEVSA-N 2 1 368.507 0.597 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001273515069 860515572 /nfs/dbraw/zinc/51/55/72/860515572.db2.gz PXXVZDWSTAWDJK-CHWSQXEVSA-N 2 1 368.507 0.597 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001273515069 860515574 /nfs/dbraw/zinc/51/55/74/860515574.db2.gz PXXVZDWSTAWDJK-CHWSQXEVSA-N 2 1 368.507 0.597 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001273515069 860515578 /nfs/dbraw/zinc/51/55/78/860515578.db2.gz PXXVZDWSTAWDJK-CHWSQXEVSA-N 2 1 368.507 0.597 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511698 861118390 /nfs/dbraw/zinc/11/83/90/861118390.db2.gz NGOHKYGYVXPYCP-LJQANCHMSA-N 2 1 352.523 0.977 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556130 861127536 /nfs/dbraw/zinc/12/75/36/861127536.db2.gz GVSWKTOAKQTHKP-IBGZPJMESA-N 2 1 350.507 0.920 20 0 FCADMP CCOC(=O)[C@H](C)N1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275555932 861127600 /nfs/dbraw/zinc/12/76/00/861127600.db2.gz FBCPERMJWVLECB-AWEZNQCLSA-N 2 1 353.463 0.193 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275736840 861180189 /nfs/dbraw/zinc/18/01/89/861180189.db2.gz HSLXOHPOINXDMS-OAUYIBNBSA-N 2 1 359.417 0.512 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275736840 861180195 /nfs/dbraw/zinc/18/01/95/861180195.db2.gz HSLXOHPOINXDMS-OAUYIBNBSA-N 2 1 359.417 0.512 20 0 FCADMP CC(C)(C)C(=O)CN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737660 861180737 /nfs/dbraw/zinc/18/07/37/861180737.db2.gz NEBRUZPBXIHJMZ-LJQANCHMSA-N 2 1 351.491 0.905 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275736712 861180906 /nfs/dbraw/zinc/18/09/06/861180906.db2.gz GKRFASQQIRJBMU-QAPCUYQASA-N 2 1 353.463 0.241 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738285 861181420 /nfs/dbraw/zinc/18/14/20/861181420.db2.gz XUFMYQULPDEDND-SFHVURJKSA-N 2 1 355.479 0.157 20 0 FCADMP O=C(CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2)c1cccs1 ZINC001275738415 861181841 /nfs/dbraw/zinc/18/18/41/861181841.db2.gz YMJCWABSRABRMX-UHFFFAOYSA-N 2 1 363.483 0.844 20 0 FCADMP CN1CCC([N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001280071246 863242776 /nfs/dbraw/zinc/24/27/76/863242776.db2.gz OFCQTMDUMYOJEM-IBGZPJMESA-N 2 1 351.539 0.299 20 0 FCADMP C[NH+](C)CCN1CCN(C2CC[NH+](C)CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280071246 863242791 /nfs/dbraw/zinc/24/27/91/863242791.db2.gz OFCQTMDUMYOJEM-IBGZPJMESA-N 2 1 351.539 0.299 20 0 FCADMP CC(C)OCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280082010 863251294 /nfs/dbraw/zinc/25/12/94/863251294.db2.gz CMLPODQVJQSHLO-IAGOWNOFSA-N 2 1 352.523 0.485 20 0 FCADMP C[C@@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001280136106 863286892 /nfs/dbraw/zinc/28/68/92/863286892.db2.gz BHMYODMPTNXVKP-LLVKDONJSA-N 2 1 356.421 0.519 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](CC(=O)C(C)(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280143541 863293329 /nfs/dbraw/zinc/29/33/29/863293329.db2.gz SPSCXUUKQPYIAL-IBGZPJMESA-N 2 1 352.523 0.820 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC(=O)C(C)(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280143541 863293341 /nfs/dbraw/zinc/29/33/41/863293341.db2.gz SPSCXUUKQPYIAL-IBGZPJMESA-N 2 1 352.523 0.820 20 0 FCADMP COCCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H]12 ZINC001280142878 863293450 /nfs/dbraw/zinc/29/34/50/863293450.db2.gz XPQOHGXSUARTDE-JKSUJKDBSA-N 2 1 352.479 0.510 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@H]12 ZINC001280192617 863322023 /nfs/dbraw/zinc/32/20/23/863322023.db2.gz LUZZLVSUHHAJRY-OWCLPIDISA-N 2 1 352.479 0.652 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257411 863363810 /nfs/dbraw/zinc/36/38/10/863363810.db2.gz IBUZUCMGXSVFNC-WCXIOVBPSA-N 2 1 371.547 0.447 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257411 863363817 /nfs/dbraw/zinc/36/38/17/863363817.db2.gz IBUZUCMGXSVFNC-WCXIOVBPSA-N 2 1 371.547 0.447 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257411 863363826 /nfs/dbraw/zinc/36/38/26/863363826.db2.gz IBUZUCMGXSVFNC-WCXIOVBPSA-N 2 1 371.547 0.447 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)C1 ZINC001280257411 863363833 /nfs/dbraw/zinc/36/38/33/863363833.db2.gz IBUZUCMGXSVFNC-WCXIOVBPSA-N 2 1 371.547 0.447 20 0 FCADMP C[N@H+]1CCC[C@H](CN2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262371 863368648 /nfs/dbraw/zinc/36/86/48/863368648.db2.gz ZIPQXBBRZROALX-HOTGVXAUSA-N 2 1 371.547 0.591 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001284619567 864582615 /nfs/dbraw/zinc/58/26/15/864582615.db2.gz WVNOPXIWXDCFNQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001284619567 864582622 /nfs/dbraw/zinc/58/26/22/864582622.db2.gz WVNOPXIWXDCFNQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284619567 864582632 /nfs/dbraw/zinc/58/26/32/864582632.db2.gz WVNOPXIWXDCFNQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284619567 864582636 /nfs/dbraw/zinc/58/26/36/864582636.db2.gz WVNOPXIWXDCFNQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001284619568 864583121 /nfs/dbraw/zinc/58/31/21/864583121.db2.gz WVNOPXIWXDCFNQ-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001284619568 864583125 /nfs/dbraw/zinc/58/31/25/864583125.db2.gz WVNOPXIWXDCFNQ-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284619568 864583128 /nfs/dbraw/zinc/58/31/28/864583128.db2.gz WVNOPXIWXDCFNQ-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284619568 864583130 /nfs/dbraw/zinc/58/31/30/864583130.db2.gz WVNOPXIWXDCFNQ-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]Cc1nc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cs1 ZINC001349398341 866330498 /nfs/dbraw/zinc/33/04/98/866330498.db2.gz INDWPHPDGAKYDC-NWDGAFQWSA-N 2 1 351.476 0.322 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC001350014442 866490297 /nfs/dbraw/zinc/49/02/97/866490297.db2.gz NFBPYSQSVHVQIJ-IMJJTQAJSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001351129563 866786849 /nfs/dbraw/zinc/78/68/49/866786849.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001351129563 866786862 /nfs/dbraw/zinc/78/68/62/866786862.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001351129563 866786876 /nfs/dbraw/zinc/78/68/76/866786876.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC001351377021 866843747 /nfs/dbraw/zinc/84/37/47/866843747.db2.gz YKUPYWHDOMJDAJ-BDXSIMOUSA-N 2 1 374.598 0.858 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001316706206 867414009 /nfs/dbraw/zinc/41/40/09/867414009.db2.gz NMRWYAKJBNXHTD-KGLIPLIRSA-N 2 1 355.483 0.001 20 0 FCADMP [NH3+]C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCCCC1 ZINC001353612300 867455380 /nfs/dbraw/zinc/45/53/80/867455380.db2.gz AWUQGIVPWAUFQR-SJORKVTESA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001318696949 867731303 /nfs/dbraw/zinc/73/13/03/867731303.db2.gz SWSGLYSPPXYINP-QKPAOTATSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC001318696949 867731310 /nfs/dbraw/zinc/73/13/10/867731310.db2.gz SWSGLYSPPXYINP-QKPAOTATSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC001318696949 867731319 /nfs/dbraw/zinc/73/13/19/867731319.db2.gz SWSGLYSPPXYINP-QKPAOTATSA-N 2 1 354.495 0.201 20 0 FCADMP NC(=O)C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC001319829969 868014096 /nfs/dbraw/zinc/01/40/96/868014096.db2.gz IYCBZEQMEMLJCI-HOTGVXAUSA-N 2 1 354.495 0.178 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@@H]21 ZINC001357591223 868139005 /nfs/dbraw/zinc/13/90/05/868139005.db2.gz RDKFRLNZORTFKL-ILXRZTDVSA-N 2 1 350.463 0.407 20 0 FCADMP O=C1NC2(CO1)CC[NH+](CCC[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC001323731771 869329798 /nfs/dbraw/zinc/32/97/98/869329798.db2.gz XCTBKZHISGDYSQ-UHFFFAOYSA-N 2 1 352.435 0.525 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC001325829469 870050081 /nfs/dbraw/zinc/05/00/81/870050081.db2.gz BBDZVEXWIKVCJR-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001326970476 870597059 /nfs/dbraw/zinc/59/70/59/870597059.db2.gz VSXPJJHHAHNSEH-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001329036265 871788292 /nfs/dbraw/zinc/78/82/92/871788292.db2.gz LRJXLPZNRWOQFP-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1C ZINC001329290108 871936735 /nfs/dbraw/zinc/93/67/35/871936735.db2.gz IBQYWZSTMGJYCH-BFHYXJOUSA-N 2 1 351.499 0.686 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH+]2C)CC1 ZINC001346696764 871962389 /nfs/dbraw/zinc/96/23/89/871962389.db2.gz UYPKVDAYROPFRB-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001346696764 871962402 /nfs/dbraw/zinc/96/24/02/871962402.db2.gz UYPKVDAYROPFRB-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001346696764 871962413 /nfs/dbraw/zinc/96/24/13/871962413.db2.gz UYPKVDAYROPFRB-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885330 872519835 /nfs/dbraw/zinc/51/98/35/872519835.db2.gz TVKFXHTWLYIWRM-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885330 872519846 /nfs/dbraw/zinc/51/98/46/872519846.db2.gz TVKFXHTWLYIWRM-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001347885330 872519853 /nfs/dbraw/zinc/51/98/53/872519853.db2.gz TVKFXHTWLYIWRM-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001347885330 872519864 /nfs/dbraw/zinc/51/98/64/872519864.db2.gz TVKFXHTWLYIWRM-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001348128461 872604501 /nfs/dbraw/zinc/60/45/01/872604501.db2.gz ODNBFKDBCGFWKE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001348575050 872728614 /nfs/dbraw/zinc/72/86/14/872728614.db2.gz UXHOHKHDAISNIC-INIZCTEOSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001331330990 873064777 /nfs/dbraw/zinc/06/47/77/873064777.db2.gz UXVKFHOBCXTIPR-PVAVHDDUSA-N 2 1 367.515 0.775 20 0 FCADMP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001331623045 873166240 /nfs/dbraw/zinc/16/62/40/873166240.db2.gz AVFLIVXEZBKKMV-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001331623045 873166252 /nfs/dbraw/zinc/16/62/52/873166252.db2.gz AVFLIVXEZBKKMV-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331834419 873266182 /nfs/dbraw/zinc/26/61/82/873266182.db2.gz UESDZJXAGAJNQD-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001331970469 873318829 /nfs/dbraw/zinc/31/88/29/873318829.db2.gz ULFHIDOPIYZKKN-XIRDDKMYSA-N 2 1 367.515 0.775 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001332680123 873613893 /nfs/dbraw/zinc/61/38/93/873613893.db2.gz RQHUXMFWGSOMRD-HNNXBMFYSA-N 2 1 354.520 0.270 20 0 FCADMP O=C(c1nnn(C2CC[NH2+]CC2)c1C(F)F)N1CC[NH2+]C[C@H]1C(F)F ZINC001332977245 873743378 /nfs/dbraw/zinc/74/33/78/873743378.db2.gz YKQSWBARTJBUNY-VIFPVBQESA-N 2 1 364.347 0.819 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001333180163 873839969 /nfs/dbraw/zinc/83/99/69/873839969.db2.gz YEZVUUINRBBDMO-GOEBONIOSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001333180163 873839987 /nfs/dbraw/zinc/83/99/87/873839987.db2.gz YEZVUUINRBBDMO-GOEBONIOSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001333360623 873923013 /nfs/dbraw/zinc/92/30/13/873923013.db2.gz LJUAPVKGTHRMMS-LSDHHAIUSA-N 2 1 352.479 0.086 20 0 FCADMP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476602 948383562 /nfs/dbraw/zinc/38/35/62/948383562.db2.gz LBZFMVXPDTZUDF-IJEWVQPXSA-N 2 1 353.430 0.513 20 0 FCADMP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476602 948383570 /nfs/dbraw/zinc/38/35/70/948383570.db2.gz LBZFMVXPDTZUDF-IJEWVQPXSA-N 2 1 353.430 0.513 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926236 948989748 /nfs/dbraw/zinc/98/97/48/948989748.db2.gz LOXIDNVLKZUCTL-CHWSQXEVSA-N 2 1 358.450 0.190 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926349 948998789 /nfs/dbraw/zinc/99/87/89/948998789.db2.gz ODOKVQAXFGKZDY-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704252 949374545 /nfs/dbraw/zinc/37/45/45/949374545.db2.gz BMKOKPBAGWYGNO-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263815 949406683 /nfs/dbraw/zinc/40/66/83/949406683.db2.gz JWBLHQLZJUAFQF-DZGCQCFKSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263816 949406936 /nfs/dbraw/zinc/40/69/36/949406936.db2.gz JWBLHQLZJUAFQF-HIFRSBDPSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205317 950509315 /nfs/dbraw/zinc/50/93/15/950509315.db2.gz XBVBSSKKWHHKNN-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205317 950509336 /nfs/dbraw/zinc/50/93/36/950509336.db2.gz XBVBSSKKWHHKNN-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205317 950509356 /nfs/dbraw/zinc/50/93/56/950509356.db2.gz XBVBSSKKWHHKNN-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981173 950577688 /nfs/dbraw/zinc/57/76/88/950577688.db2.gz FKCQUSKKIROLEW-CHWSQXEVSA-N 2 1 356.434 0.038 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208674 950614175 /nfs/dbraw/zinc/61/41/75/950614175.db2.gz RZBMWIZJKIRRSS-RYUDHWBXSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576208947 950620439 /nfs/dbraw/zinc/62/04/39/950620439.db2.gz VNYCADYESDNMEL-OLZOCXBDSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208997 950622064 /nfs/dbraw/zinc/62/20/64/950622064.db2.gz XZCPWPLIVOZSLU-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214573 950673643 /nfs/dbraw/zinc/67/36/43/950673643.db2.gz QBMWWLPXJOYAQE-XYPHTWIQSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571004641 951152133 /nfs/dbraw/zinc/15/21/33/951152133.db2.gz OXRDIZYOSYRSMV-AAEUAGOBSA-N 2 1 361.475 0.713 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571025690 951456007 /nfs/dbraw/zinc/45/60/07/951456007.db2.gz FIODCAPHGSMIGT-INIZCTEOSA-N 2 1 366.429 0.762 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026036 951467167 /nfs/dbraw/zinc/46/71/67/951467167.db2.gz QNRCWFODEJPYTB-HNNXBMFYSA-N 2 1 366.429 0.762 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575100155 951841717 /nfs/dbraw/zinc/84/17/17/951841717.db2.gz RCEKUSSIFOVIME-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106841 951907633 /nfs/dbraw/zinc/90/76/33/951907633.db2.gz VJAVIAIEMTXCNI-CZUORRHYSA-N 2 1 357.462 0.660 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063386 951966664 /nfs/dbraw/zinc/96/66/64/951966664.db2.gz LMYIULTXCPSVRF-COXVUDFISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063386 951966673 /nfs/dbraw/zinc/96/66/73/951966673.db2.gz LMYIULTXCPSVRF-COXVUDFISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063386 951966676 /nfs/dbraw/zinc/96/66/76/951966676.db2.gz LMYIULTXCPSVRF-COXVUDFISA-N 2 1 369.473 0.897 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077442 952119260 /nfs/dbraw/zinc/11/92/60/952119260.db2.gz AREKEDATLAXLBR-KBPBESRZSA-N 2 1 370.461 0.428 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cn2cc[nH+]c12 ZINC000293398037 214170172 /nfs/dbraw/zinc/17/01/72/214170172.db2.gz MGYYUDGVXJVECV-MRXNPFEDSA-N 2 1 373.457 0.934 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cn2cc[nH+]c12 ZINC000293398037 214170175 /nfs/dbraw/zinc/17/01/75/214170175.db2.gz MGYYUDGVXJVECV-MRXNPFEDSA-N 2 1 373.457 0.934 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000293786132 214200568 /nfs/dbraw/zinc/20/05/68/214200568.db2.gz XBEJVSKWTYIOET-BHIYHBOVSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000293786132 214200572 /nfs/dbraw/zinc/20/05/72/214200572.db2.gz XBEJVSKWTYIOET-BHIYHBOVSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293786132 214200580 /nfs/dbraw/zinc/20/05/80/214200580.db2.gz XBEJVSKWTYIOET-BHIYHBOVSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293786132 214200583 /nfs/dbraw/zinc/20/05/83/214200583.db2.gz XBEJVSKWTYIOET-BHIYHBOVSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H](O)C[N@@H+](CCO)Cc1ccc(F)c(C[NH+](CCO)C[C@H](C)O)c1 ZINC000295256971 214287485 /nfs/dbraw/zinc/28/74/85/214287485.db2.gz XOPYMAONCGVCIQ-CABCVRRESA-N 2 1 358.454 0.176 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1ccc(F)c(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000295256971 214287486 /nfs/dbraw/zinc/28/74/86/214287486.db2.gz XOPYMAONCGVCIQ-CABCVRRESA-N 2 1 358.454 0.176 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1ccc(F)c(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000295256971 214287488 /nfs/dbraw/zinc/28/74/88/214287488.db2.gz XOPYMAONCGVCIQ-CABCVRRESA-N 2 1 358.454 0.176 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000265693347 210197983 /nfs/dbraw/zinc/19/79/83/210197983.db2.gz FZQMJMXKDHNNAM-ZIAGYGMSSA-N 2 1 351.451 0.521 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000265693347 210197980 /nfs/dbraw/zinc/19/79/80/210197980.db2.gz FZQMJMXKDHNNAM-ZIAGYGMSSA-N 2 1 351.451 0.521 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410492078 529901084 /nfs/dbraw/zinc/90/10/84/529901084.db2.gz XBFPTLAPCKRCCW-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413628308 529901966 /nfs/dbraw/zinc/90/19/66/529901966.db2.gz PZPOBAKFBSZZHZ-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP CNC(=O)N[C@H]1CC[NH+](CCC(C)CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541066 529890145 /nfs/dbraw/zinc/89/01/45/529890145.db2.gz HGCYLYCFWVHWCJ-HOTGVXAUSA-N 2 1 368.526 0.409 20 0 FCADMP C[N@@H+](CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000413265089 529914314 /nfs/dbraw/zinc/91/43/14/529914314.db2.gz KQNKPAZXBBLPKR-UHFFFAOYSA-N 2 1 353.511 0.176 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@@H]3C(N)=O)cc2C1 ZINC000265507895 210153388 /nfs/dbraw/zinc/15/33/88/210153388.db2.gz DDEZQFMPVBJWLE-MRXNPFEDSA-N 2 1 373.457 0.027 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@@H]3C(N)=O)cc2C1 ZINC000265507895 210153390 /nfs/dbraw/zinc/15/33/90/210153390.db2.gz DDEZQFMPVBJWLE-MRXNPFEDSA-N 2 1 373.457 0.027 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2C1 ZINC000265507895 210153391 /nfs/dbraw/zinc/15/33/91/210153391.db2.gz DDEZQFMPVBJWLE-MRXNPFEDSA-N 2 1 373.457 0.027 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2C1 ZINC000265507895 210153394 /nfs/dbraw/zinc/15/33/94/210153394.db2.gz DDEZQFMPVBJWLE-MRXNPFEDSA-N 2 1 373.457 0.027 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC[C@@H]21 ZINC000410951733 530064988 /nfs/dbraw/zinc/06/49/88/530064988.db2.gz GDHJMVCSPXIKRI-ZWOKBUDYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951733 530064989 /nfs/dbraw/zinc/06/49/89/530064989.db2.gz GDHJMVCSPXIKRI-ZWOKBUDYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951733 530064990 /nfs/dbraw/zinc/06/49/90/530064990.db2.gz GDHJMVCSPXIKRI-ZWOKBUDYSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331466917 215001022 /nfs/dbraw/zinc/00/10/22/215001022.db2.gz VKKBATPNCCWSRO-HMDCTGQHSA-N 2 1 350.507 0.809 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331572049 215017573 /nfs/dbraw/zinc/01/75/73/215017573.db2.gz LQFOVSTVXSTWNJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000331566857 215015848 /nfs/dbraw/zinc/01/58/48/215015848.db2.gz LAGHIUMBAFRHFW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331566857 215015850 /nfs/dbraw/zinc/01/58/50/215015850.db2.gz LAGHIUMBAFRHFW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000331566857 215015852 /nfs/dbraw/zinc/01/58/52/215015852.db2.gz LAGHIUMBAFRHFW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000331587425 215020050 /nfs/dbraw/zinc/02/00/50/215020050.db2.gz MQRUXMLNFVTKMW-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000331587425 215020053 /nfs/dbraw/zinc/02/00/53/215020053.db2.gz MQRUXMLNFVTKMW-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000331587425 215020057 /nfs/dbraw/zinc/02/00/57/215020057.db2.gz MQRUXMLNFVTKMW-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[NH+](C)C1 ZINC000331700981 215036222 /nfs/dbraw/zinc/03/62/22/215036222.db2.gz XYKDXMDKUBEMFZ-LTIDMASMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[N@H+](C)C1 ZINC000331700981 215036224 /nfs/dbraw/zinc/03/62/24/215036224.db2.gz XYKDXMDKUBEMFZ-LTIDMASMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[N@@H+](C)C1 ZINC000331700981 215036226 /nfs/dbraw/zinc/03/62/26/215036226.db2.gz XYKDXMDKUBEMFZ-LTIDMASMSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000331809194 215050057 /nfs/dbraw/zinc/05/00/57/215050057.db2.gz NQDOCMDKTYNLLK-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000331791947 215047091 /nfs/dbraw/zinc/04/70/91/215047091.db2.gz KLRHLUULHLLAIZ-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000331791947 215047096 /nfs/dbraw/zinc/04/70/96/215047096.db2.gz KLRHLUULHLLAIZ-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP C[NH+](C)C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000331833883 215054391 /nfs/dbraw/zinc/05/43/91/215054391.db2.gz CNDQLFJVPUMMLH-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332022544 215080695 /nfs/dbraw/zinc/08/06/95/215080695.db2.gz GJSDOBOBTPMTKG-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1CC(C)(C)O ZINC000332022544 215080698 /nfs/dbraw/zinc/08/06/98/215080698.db2.gz GJSDOBOBTPMTKG-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332022544 215080702 /nfs/dbraw/zinc/08/07/02/215080702.db2.gz GJSDOBOBTPMTKG-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332022544 215080703 /nfs/dbraw/zinc/08/07/03/215080703.db2.gz GJSDOBOBTPMTKG-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000332040961 215083071 /nfs/dbraw/zinc/08/30/71/215083071.db2.gz JMYUEOVUMDPPAC-XHSDSOJGSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000332040961 215083074 /nfs/dbraw/zinc/08/30/74/215083074.db2.gz JMYUEOVUMDPPAC-XHSDSOJGSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000332040961 215083079 /nfs/dbraw/zinc/08/30/79/215083079.db2.gz JMYUEOVUMDPPAC-XHSDSOJGSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000264991063 210033739 /nfs/dbraw/zinc/03/37/39/210033739.db2.gz BPMVBDQEZSDYSI-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332080137 215089591 /nfs/dbraw/zinc/08/95/91/215089591.db2.gz JFAXTDRJIQVBGE-IRXDYDNUSA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332080137 215089594 /nfs/dbraw/zinc/08/95/94/215089594.db2.gz JFAXTDRJIQVBGE-IRXDYDNUSA-N 2 1 373.501 0.980 20 0 FCADMP Cn1ccc(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000264922977 210015635 /nfs/dbraw/zinc/01/56/35/210015635.db2.gz WIAVKUHSEDYYJR-INIZCTEOSA-N 2 1 357.462 0.805 20 0 FCADMP C[N@H+](CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000264910231 210012304 /nfs/dbraw/zinc/01/23/04/210012304.db2.gz WRUXYOUNNBABDU-UHFFFAOYSA-N 2 1 361.494 0.382 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000264910231 210012307 /nfs/dbraw/zinc/01/23/07/210012307.db2.gz WRUXYOUNNBABDU-UHFFFAOYSA-N 2 1 361.494 0.382 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000332378466 215140748 /nfs/dbraw/zinc/14/07/48/215140748.db2.gz AJSPOVWEVZWATM-BBWFWOEESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000332378466 215140752 /nfs/dbraw/zinc/14/07/52/215140752.db2.gz AJSPOVWEVZWATM-BBWFWOEESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000332386483 215142844 /nfs/dbraw/zinc/14/28/44/215142844.db2.gz YCRMOUDDSDTLFF-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000332531089 215170973 /nfs/dbraw/zinc/17/09/73/215170973.db2.gz QHDFXGITEZGWLD-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000332592761 215186660 /nfs/dbraw/zinc/18/66/60/215186660.db2.gz MIXMSDYVRRBAQT-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333292858 215259630 /nfs/dbraw/zinc/25/96/30/215259630.db2.gz HZGDOMWHNNJAIT-IAGOWNOFSA-N 2 1 365.522 0.857 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333292858 215259632 /nfs/dbraw/zinc/25/96/32/215259632.db2.gz HZGDOMWHNNJAIT-IAGOWNOFSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333335299 215265571 /nfs/dbraw/zinc/26/55/71/215265571.db2.gz WYSPPMACGLCXQG-GPANFISMSA-N 2 1 351.495 0.465 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C2)C1 ZINC000333490585 215288456 /nfs/dbraw/zinc/28/84/56/215288456.db2.gz DGDIVXZQLQROBN-DZGCQCFKSA-N 2 1 363.428 0.560 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555841 215295943 /nfs/dbraw/zinc/29/59/43/215295943.db2.gz KTZRJANWOZLJRA-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555841 215295946 /nfs/dbraw/zinc/29/59/46/215295946.db2.gz KTZRJANWOZLJRA-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555840 215296900 /nfs/dbraw/zinc/29/69/00/215296900.db2.gz KTZRJANWOZLJRA-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333555840 215296903 /nfs/dbraw/zinc/29/69/03/215296903.db2.gz KTZRJANWOZLJRA-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000333662918 215306921 /nfs/dbraw/zinc/30/69/21/215306921.db2.gz XFFHZCKJLUJMOF-HOTGVXAUSA-N 2 1 354.495 0.494 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333661433 215306997 /nfs/dbraw/zinc/30/69/97/215306997.db2.gz WMCNEQAGXYOFEA-SJORKVTESA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333661433 215306999 /nfs/dbraw/zinc/30/69/99/215306999.db2.gz WMCNEQAGXYOFEA-SJORKVTESA-N 2 1 368.522 0.896 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000333728592 215314323 /nfs/dbraw/zinc/31/43/23/215314323.db2.gz HMCHRNUYTMMRPV-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCCC1 ZINC000333816658 215321278 /nfs/dbraw/zinc/32/12/78/215321278.db2.gz KEPYNNYFYMEATR-HZPDHXFCSA-N 2 1 351.495 0.500 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811426 215321533 /nfs/dbraw/zinc/32/15/33/215321533.db2.gz JJJNBSRZUBXWRE-SQNIBIBYSA-N 2 1 367.538 0.421 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000333821725 215323202 /nfs/dbraw/zinc/32/32/02/215323202.db2.gz KYCOQXLBZSPWHS-VQFNDLOPSA-N 2 1 363.506 0.180 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000333934965 215332611 /nfs/dbraw/zinc/33/26/11/215332611.db2.gz IZXGBOBIGFOEKD-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934965 215332615 /nfs/dbraw/zinc/33/26/15/215332615.db2.gz IZXGBOBIGFOEKD-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934965 215332617 /nfs/dbraw/zinc/33/26/17/215332617.db2.gz IZXGBOBIGFOEKD-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333952105 215333670 /nfs/dbraw/zinc/33/36/70/215333670.db2.gz ZQXLNQQBFASRFE-IHRRRGAJSA-N 2 1 363.428 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333945492 215333738 /nfs/dbraw/zinc/33/37/38/215333738.db2.gz SXLRMVJYKSYUTM-ARFHVFGLSA-N 2 1 351.495 0.370 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000360572506 215364889 /nfs/dbraw/zinc/36/48/89/215364889.db2.gz LWXHLKGFXNYGIH-HUUCEWRRSA-N 2 1 367.494 0.927 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000285327340 213323657 /nfs/dbraw/zinc/32/36/57/213323657.db2.gz FEDRAXBGAPFLFT-MRXNPFEDSA-N 2 1 370.457 0.745 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)n1C ZINC000284523029 213160826 /nfs/dbraw/zinc/16/08/26/213160826.db2.gz TZUNSMMQOLIAFV-UHFFFAOYSA-N 2 1 364.494 0.483 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000284430180 213136961 /nfs/dbraw/zinc/13/69/61/213136961.db2.gz YLQAEZNARQHXRJ-OAHLLOKOSA-N 2 1 365.478 0.315 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000284430180 213136963 /nfs/dbraw/zinc/13/69/63/213136963.db2.gz YLQAEZNARQHXRJ-OAHLLOKOSA-N 2 1 365.478 0.315 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284356400 213118992 /nfs/dbraw/zinc/11/89/92/213118992.db2.gz KZBFGUVNSKBBOV-GJZGRUSLSA-N 2 1 350.463 0.989 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284356400 213118995 /nfs/dbraw/zinc/11/89/95/213118995.db2.gz KZBFGUVNSKBBOV-GJZGRUSLSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182838 213093041 /nfs/dbraw/zinc/09/30/41/213093041.db2.gz RDFACZLULVNBLZ-KSSFIOAISA-N 2 1 358.486 0.963 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411936260 237115583 /nfs/dbraw/zinc/11/55/83/237115583.db2.gz FKNNCQFMPBGTPB-CALCHBBNSA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411936260 237115590 /nfs/dbraw/zinc/11/55/90/237115590.db2.gz FKNNCQFMPBGTPB-CALCHBBNSA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411936260 237115599 /nfs/dbraw/zinc/11/55/99/237115599.db2.gz FKNNCQFMPBGTPB-CALCHBBNSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000366663245 216013056 /nfs/dbraw/zinc/01/30/56/216013056.db2.gz OOSNWAQKYJMSNV-ZFWWWQNUSA-N 2 1 354.520 0.364 20 0 FCADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000366663245 216013060 /nfs/dbraw/zinc/01/30/60/216013060.db2.gz OOSNWAQKYJMSNV-ZFWWWQNUSA-N 2 1 354.520 0.364 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000413240773 237298965 /nfs/dbraw/zinc/29/89/65/237298965.db2.gz NSHHNNSYJCFCFM-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000413240773 237298969 /nfs/dbraw/zinc/29/89/69/237298969.db2.gz NSHHNNSYJCFCFM-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000366977620 216058670 /nfs/dbraw/zinc/05/86/70/216058670.db2.gz UVKXSMPNIZNNHZ-UHFFFAOYSA-N 3 1 365.566 0.500 20 0 FCADMP CNC(=O)NCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367096116 216075149 /nfs/dbraw/zinc/07/51/49/216075149.db2.gz HNKJKCSTMQYRRR-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367186844 216088689 /nfs/dbraw/zinc/08/86/89/216088689.db2.gz PZDFPLHMJMFMEB-ROUUACIJSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168207 216085437 /nfs/dbraw/zinc/08/54/37/216085437.db2.gz OHUDMUHXLIFTRL-AZUAARDMSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168207 216085440 /nfs/dbraw/zinc/08/54/40/216085440.db2.gz OHUDMUHXLIFTRL-AZUAARDMSA-N 2 1 371.529 0.703 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367201612 216090987 /nfs/dbraw/zinc/09/09/87/216090987.db2.gz QRMNKHUJSKTZOX-IBGZPJMESA-N 2 1 358.486 0.890 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367201612 216090988 /nfs/dbraw/zinc/09/09/88/216090988.db2.gz QRMNKHUJSKTZOX-IBGZPJMESA-N 2 1 358.486 0.890 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@H](C)C1 ZINC000367591517 216141778 /nfs/dbraw/zinc/14/17/78/216141778.db2.gz ZWGSFUMLKONGGB-XDNAFOTISA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@H](C)C1 ZINC000367591517 216141781 /nfs/dbraw/zinc/14/17/81/216141781.db2.gz ZWGSFUMLKONGGB-XDNAFOTISA-N 2 1 368.522 0.726 20 0 FCADMP CCC(CC)[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000367691580 216149943 /nfs/dbraw/zinc/14/99/43/216149943.db2.gz VJXCAARHOAXBDJ-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CN1CCO[C@@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490812 209391394 /nfs/dbraw/zinc/39/13/94/209391394.db2.gz XFRMRUKAFYZIKW-NVXWUHKLSA-N 2 1 360.458 0.653 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490812 209391397 /nfs/dbraw/zinc/39/13/97/209391397.db2.gz XFRMRUKAFYZIKW-NVXWUHKLSA-N 2 1 360.458 0.653 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490812 209391402 /nfs/dbraw/zinc/39/14/02/209391402.db2.gz XFRMRUKAFYZIKW-NVXWUHKLSA-N 2 1 360.458 0.653 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000246490812 209391406 /nfs/dbraw/zinc/39/14/06/209391406.db2.gz XFRMRUKAFYZIKW-NVXWUHKLSA-N 2 1 360.458 0.653 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000368794287 216296764 /nfs/dbraw/zinc/29/67/64/216296764.db2.gz HAYGCODSKSZNOT-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000368794287 216296766 /nfs/dbraw/zinc/29/67/66/216296766.db2.gz HAYGCODSKSZNOT-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCC[NH+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326858 /nfs/dbraw/zinc/32/68/58/216326858.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[NH+]1CCCC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326861 /nfs/dbraw/zinc/32/68/61/216326861.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 2 1 362.518 0.938 20 0 FCADMP NC(=O)[C@H]1[C@H]2CCC[C@H]2C[NH+]1CCCC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326863 /nfs/dbraw/zinc/32/68/63/216326863.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 2 1 362.518 0.938 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000369219453 216365276 /nfs/dbraw/zinc/36/52/76/216365276.db2.gz OHKWOXXTIUBXAB-FGTMMUONSA-N 2 1 366.506 0.603 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369403979 216398133 /nfs/dbraw/zinc/39/81/33/216398133.db2.gz XVCYMQMLWSMQLG-QGZVFWFLSA-N 2 1 355.527 0.424 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000369401598 216396630 /nfs/dbraw/zinc/39/66/30/216396630.db2.gz NGZQTPQPELGDGC-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000369401598 216396636 /nfs/dbraw/zinc/39/66/36/216396636.db2.gz NGZQTPQPELGDGC-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189303851 209248656 /nfs/dbraw/zinc/24/86/56/209248656.db2.gz MQOYCELAUWBYJC-NSHGMRRFSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189303851 209248658 /nfs/dbraw/zinc/24/86/58/209248658.db2.gz MQOYCELAUWBYJC-NSHGMRRFSA-N 2 1 374.529 0.764 20 0 FCADMP CCS(=O)(=O)NCCN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188298088 209229284 /nfs/dbraw/zinc/22/92/84/209229284.db2.gz LGOKGZLAULHJFM-QGZVFWFLSA-N 2 1 355.504 0.495 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000277024936 212320390 /nfs/dbraw/zinc/32/03/90/212320390.db2.gz JNVDLWRZJOKNJH-OAHLLOKOSA-N 2 1 362.478 0.044 20 0 FCADMP C[N@@H+](CCC(=O)N1CCOCC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188289637 209227075 /nfs/dbraw/zinc/22/70/75/209227075.db2.gz DFQSKLSYRUHTPO-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP C[N@H+](CCC(=O)N1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188289637 209227078 /nfs/dbraw/zinc/22/70/78/209227078.db2.gz DFQSKLSYRUHTPO-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP C[NH+](CCC(=O)N1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188289637 209227085 /nfs/dbraw/zinc/22/70/85/209227085.db2.gz DFQSKLSYRUHTPO-FQEVSTJZSA-N 2 1 361.486 0.804 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1 ZINC000187984040 209221292 /nfs/dbraw/zinc/22/12/92/209221292.db2.gz WHNJNLYVZQFOKA-ZWKOTPCHSA-N 2 1 362.474 0.628 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000187839971 209219956 /nfs/dbraw/zinc/21/99/56/209219956.db2.gz IBOJZHJBHHHONK-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187840002 209218750 /nfs/dbraw/zinc/21/87/50/209218750.db2.gz IBOJZHJBHHHONK-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000186855271 209197774 /nfs/dbraw/zinc/19/77/74/209197774.db2.gz CJMKBMNYEUCRCV-QGZVFWFLSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@H](CO)[NH+](Cc1ccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1)C[C@H](C)O ZINC000276222840 212189833 /nfs/dbraw/zinc/18/98/33/212189833.db2.gz QRNDIYLINCRVKJ-BDXSIMOUSA-N 2 1 368.518 0.814 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548756 212049237 /nfs/dbraw/zinc/04/92/37/212049237.db2.gz DZDSCGYYSSVGAN-RTBURBONSA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275548756 212049241 /nfs/dbraw/zinc/04/92/41/212049241.db2.gz DZDSCGYYSSVGAN-RTBURBONSA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275548756 212049243 /nfs/dbraw/zinc/04/92/43/212049243.db2.gz DZDSCGYYSSVGAN-RTBURBONSA-N 2 1 374.533 0.791 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000414679659 245312691 /nfs/dbraw/zinc/31/26/91/245312691.db2.gz LYVNALWOHHOUGT-GASCZTMLSA-N 2 1 374.485 0.886 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000184063816 209156818 /nfs/dbraw/zinc/15/68/18/209156818.db2.gz DVTRVIDDFSDNAE-INIZCTEOSA-N 2 1 363.506 0.778 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637009 217152454 /nfs/dbraw/zinc/15/24/54/217152454.db2.gz MIYMFNKLPMAWAL-FZKCQIBNSA-N 2 1 353.463 0.334 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637009 217152457 /nfs/dbraw/zinc/15/24/57/217152457.db2.gz MIYMFNKLPMAWAL-FZKCQIBNSA-N 2 1 353.463 0.334 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1=O ZINC000374918553 217189304 /nfs/dbraw/zinc/18/93/04/217189304.db2.gz SJNCZQOETVMBIZ-MLHJIOFPSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1=O ZINC000374918553 217189310 /nfs/dbraw/zinc/18/93/10/217189310.db2.gz SJNCZQOETVMBIZ-MLHJIOFPSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000374918553 217189314 /nfs/dbraw/zinc/18/93/14/217189314.db2.gz SJNCZQOETVMBIZ-MLHJIOFPSA-N 2 1 362.518 0.872 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000183210022 209143031 /nfs/dbraw/zinc/14/30/31/209143031.db2.gz XTALIVJKAPWTAG-HNNXBMFYSA-N 2 1 350.463 0.815 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000183210022 209143035 /nfs/dbraw/zinc/14/30/35/209143035.db2.gz XTALIVJKAPWTAG-HNNXBMFYSA-N 2 1 350.463 0.815 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000183210003 209142789 /nfs/dbraw/zinc/14/27/89/209142789.db2.gz XTALIVJKAPWTAG-OAHLLOKOSA-N 2 1 350.463 0.815 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000183210003 209142791 /nfs/dbraw/zinc/14/27/91/209142791.db2.gz XTALIVJKAPWTAG-OAHLLOKOSA-N 2 1 350.463 0.815 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417052591 245666784 /nfs/dbraw/zinc/66/67/84/245666784.db2.gz QESBIVMAHKUTBX-CABCVRRESA-N 2 1 353.511 0.794 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000419128817 246005720 /nfs/dbraw/zinc/00/57/20/246005720.db2.gz XEGRWUVINYEYJJ-SJORKVTESA-N 2 1 367.538 0.008 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000419126701 246001110 /nfs/dbraw/zinc/00/11/10/246001110.db2.gz NRJCOHPOMJMMMA-ZACQAIPSSA-N 2 1 367.538 0.008 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419130130 246004916 /nfs/dbraw/zinc/00/49/16/246004916.db2.gz AQMCLELXEUIHSR-VQIMIIECSA-N 2 1 350.507 0.683 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000419156213 246021257 /nfs/dbraw/zinc/02/12/57/246021257.db2.gz SNRAEESHHKJCMC-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419156527 246022325 /nfs/dbraw/zinc/02/23/25/246022325.db2.gz VJTUCVXGZOLYEP-CZUORRHYSA-N 2 1 364.515 0.930 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419131245 246006361 /nfs/dbraw/zinc/00/63/61/246006361.db2.gz CEBWACUFRYYGCZ-YLQAJVPDSA-N 2 1 360.433 0.432 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419136174 246011521 /nfs/dbraw/zinc/01/15/21/246011521.db2.gz OUNQGKJYGQTUCL-AWEZNQCLSA-N 2 1 354.401 0.477 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136174 246011526 /nfs/dbraw/zinc/01/15/26/246011526.db2.gz OUNQGKJYGQTUCL-AWEZNQCLSA-N 2 1 354.401 0.477 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144335 246012774 /nfs/dbraw/zinc/01/27/74/246012774.db2.gz GRXIIPUANJIJBN-GJZGRUSLSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419145207 246015527 /nfs/dbraw/zinc/01/55/27/246015527.db2.gz AATFWPVMAIELBP-RTBURBONSA-N 2 1 372.513 0.926 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166570 246028698 /nfs/dbraw/zinc/02/86/98/246028698.db2.gz HLYNYKBLXIJNFY-WMZOPIPTSA-N 2 1 358.486 0.488 20 0 FCADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419168800 246030921 /nfs/dbraw/zinc/03/09/21/246030921.db2.gz QSJLPBFCZQIQHB-OAHLLOKOSA-N 2 1 370.444 0.969 20 0 FCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419168800 246030926 /nfs/dbraw/zinc/03/09/26/246030926.db2.gz QSJLPBFCZQIQHB-OAHLLOKOSA-N 2 1 370.444 0.969 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419210939 246056151 /nfs/dbraw/zinc/05/61/51/246056151.db2.gz RUXIDKRRMRIWPG-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212216 246056774 /nfs/dbraw/zinc/05/67/74/246056774.db2.gz UJJPLBQTTPPXTI-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419215364 246058940 /nfs/dbraw/zinc/05/89/40/246058940.db2.gz YUASMRWFYNKRHV-GBESFXJTSA-N 2 1 370.497 0.835 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000419216304 246059990 /nfs/dbraw/zinc/05/99/90/246059990.db2.gz BJPIDTHMWBZYOD-UHFFFAOYSA-N 2 1 359.474 0.446 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231193 246067300 /nfs/dbraw/zinc/06/73/00/246067300.db2.gz RKBBFDHGVRXPQX-IMJJTQAJSA-N 2 1 366.506 0.596 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419222309 246062949 /nfs/dbraw/zinc/06/29/49/246062949.db2.gz BMVLPABTBAUPOS-ZTFGCOKTSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419199673 246049119 /nfs/dbraw/zinc/04/91/19/246049119.db2.gz DMRRCSLPODIYGK-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419270270 246083102 /nfs/dbraw/zinc/08/31/02/246083102.db2.gz QQLXOQBKNSQZSW-UHFFFAOYSA-N 2 1 374.485 0.393 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419228258 246067625 /nfs/dbraw/zinc/06/76/25/246067625.db2.gz GRGFCZHOYVTWJS-VKJFTORMSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419228258 246067629 /nfs/dbraw/zinc/06/76/29/246067629.db2.gz GRGFCZHOYVTWJS-VKJFTORMSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419231244 246067851 /nfs/dbraw/zinc/06/78/51/246067851.db2.gz JMHJCGOGPDBUTN-ZDUSSCGKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419231244 246067857 /nfs/dbraw/zinc/06/78/57/246067857.db2.gz JMHJCGOGPDBUTN-ZDUSSCGKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419229852 246068292 /nfs/dbraw/zinc/06/82/92/246068292.db2.gz IINSDQOVJMDVCA-CVEARBPZSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419229852 246068298 /nfs/dbraw/zinc/06/82/98/246068298.db2.gz IINSDQOVJMDVCA-CVEARBPZSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419231778 246071208 /nfs/dbraw/zinc/07/12/08/246071208.db2.gz KDQMEEWMEKQAIT-RVKKMQEKSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419231778 246071209 /nfs/dbraw/zinc/07/12/09/246071209.db2.gz KDQMEEWMEKQAIT-RVKKMQEKSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419231772 246071359 /nfs/dbraw/zinc/07/13/59/246071359.db2.gz SFOQOORUBSNEGL-XIRDDKMYSA-N 2 1 350.507 0.953 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419246407 246077224 /nfs/dbraw/zinc/07/72/24/246077224.db2.gz WLOPYOZQCPLFRC-UKRRQHHQSA-N 2 1 364.515 0.821 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419246407 246077228 /nfs/dbraw/zinc/07/72/28/246077228.db2.gz WLOPYOZQCPLFRC-UKRRQHHQSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000419245434 246077306 /nfs/dbraw/zinc/07/73/06/246077306.db2.gz VULLTTBNDDJKAO-JSGCOSHPSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000419245434 246077310 /nfs/dbraw/zinc/07/73/10/246077310.db2.gz VULLTTBNDDJKAO-JSGCOSHPSA-N 2 1 350.488 0.479 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000419304938 246092521 /nfs/dbraw/zinc/09/25/21/246092521.db2.gz VIWOTHDVWPSEIY-HOTGVXAUSA-N 2 1 373.501 0.918 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419298609 246089583 /nfs/dbraw/zinc/08/95/83/246089583.db2.gz IMSLHFWWWGHLCS-JKSUJKDBSA-N 2 1 359.405 0.400 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385626 246126840 /nfs/dbraw/zinc/12/68/40/246126840.db2.gz APNCJLQEERIKDX-MRXNPFEDSA-N 2 1 364.515 0.446 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385626 246126843 /nfs/dbraw/zinc/12/68/43/246126843.db2.gz APNCJLQEERIKDX-MRXNPFEDSA-N 2 1 364.515 0.446 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419385205 246127392 /nfs/dbraw/zinc/12/73/92/246127392.db2.gz ACUOAQUTZXENBU-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419390286 246128632 /nfs/dbraw/zinc/12/86/32/246128632.db2.gz ILNNSXROOMSINQ-NZSAHSFTSA-N 2 1 370.497 0.665 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419390286 246128638 /nfs/dbraw/zinc/12/86/38/246128638.db2.gz ILNNSXROOMSINQ-NZSAHSFTSA-N 2 1 370.497 0.665 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419390285 246130199 /nfs/dbraw/zinc/13/01/99/246130199.db2.gz ILNNSXROOMSINQ-BHIYHBOVSA-N 2 1 370.497 0.665 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419390285 246130208 /nfs/dbraw/zinc/13/02/08/246130208.db2.gz ILNNSXROOMSINQ-BHIYHBOVSA-N 2 1 370.497 0.665 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000419354647 246114965 /nfs/dbraw/zinc/11/49/65/246114965.db2.gz MGIUWPGDCHVMIG-GOEBONIOSA-N 2 1 362.474 0.802 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000419356013 246116906 /nfs/dbraw/zinc/11/69/06/246116906.db2.gz NVMXJEXAVZBWDO-MRXNPFEDSA-N 2 1 362.474 0.756 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419417008 246149472 /nfs/dbraw/zinc/14/94/72/246149472.db2.gz HOZKSMXENBIDCB-VVLHAWIVSA-N 2 1 368.522 0.435 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419398453 246133801 /nfs/dbraw/zinc/13/38/01/246133801.db2.gz XCAVNQQJSWHEKY-SFHVURJKSA-N 2 1 360.502 0.993 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419398453 246133803 /nfs/dbraw/zinc/13/38/03/246133803.db2.gz XCAVNQQJSWHEKY-SFHVURJKSA-N 2 1 360.502 0.993 20 0 FCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399327 246134340 /nfs/dbraw/zinc/13/43/40/246134340.db2.gz YSGSZWQNQRRRMZ-SJLPKXTDSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399327 246134343 /nfs/dbraw/zinc/13/43/43/246134343.db2.gz YSGSZWQNQRRRMZ-SJLPKXTDSA-N 2 1 358.486 0.795 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399157 246134541 /nfs/dbraw/zinc/13/45/41/246134541.db2.gz JBWGKGFUWGEBDN-JZXOWHBKSA-N 2 1 360.502 0.985 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400998 246135766 /nfs/dbraw/zinc/13/57/66/246135766.db2.gz ABPAGAKGEPRDDG-QKPAOTATSA-N 2 1 368.522 0.700 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000419403800 246136286 /nfs/dbraw/zinc/13/62/86/246136286.db2.gz FDAXJRIVSMVROG-IBGZPJMESA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403876 246137269 /nfs/dbraw/zinc/13/72/69/246137269.db2.gz SAOVTMXHIKTXKA-RYQLBKOJSA-N 2 1 374.485 0.118 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000419406600 246139580 /nfs/dbraw/zinc/13/95/80/246139580.db2.gz JFNINMRVAVWEHA-CRAIPNDOSA-N 2 1 360.502 0.911 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+]1CCc2ccccc2C1 ZINC000419407565 246141388 /nfs/dbraw/zinc/14/13/88/246141388.db2.gz KRODYVLNKFOAQS-QGZVFWFLSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419408507 246142130 /nfs/dbraw/zinc/14/21/30/246142130.db2.gz LXWLXZDAFYEEPC-YVSFHVDLSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419428527 246158578 /nfs/dbraw/zinc/15/85/78/246158578.db2.gz SZXQIGOYYBJERJ-HXUWFJFHSA-N 2 1 358.486 0.748 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419431234 246159499 /nfs/dbraw/zinc/15/94/99/246159499.db2.gz WUCJWHZANGDQTB-AEFFLSMTSA-N 2 1 356.470 0.371 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000419433963 246161108 /nfs/dbraw/zinc/16/11/08/246161108.db2.gz ZUIVLPBKBWLYDI-KRWDZBQOSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419451333 246168354 /nfs/dbraw/zinc/16/83/54/246168354.db2.gz NERKEGHKZYYVHA-IRXDYDNUSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419451335 246169275 /nfs/dbraw/zinc/16/92/75/246169275.db2.gz NERKEGHKZYYVHA-SJORKVTESA-N 2 1 373.501 0.182 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000419455814 246170474 /nfs/dbraw/zinc/17/04/74/246170474.db2.gz YEOGSNFZZZAHJV-UHFFFAOYSA-N 2 1 358.442 0.863 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000419455814 246170480 /nfs/dbraw/zinc/17/04/80/246170480.db2.gz YEOGSNFZZZAHJV-UHFFFAOYSA-N 2 1 358.442 0.863 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000419418281 246151592 /nfs/dbraw/zinc/15/15/92/246151592.db2.gz YBUSEQLGRBFSTR-YDHLFZDLSA-N 2 1 352.504 0.971 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507772 246186477 /nfs/dbraw/zinc/18/64/77/246186477.db2.gz PSUXXALGKWJQKW-MAUKXSAKSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507380 246186594 /nfs/dbraw/zinc/18/65/94/246186594.db2.gz PLPNVUSCGLQONH-CVEARBPZSA-N 2 1 361.490 0.024 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000419517522 246188176 /nfs/dbraw/zinc/18/81/76/246188176.db2.gz XBYSFIILNVDPDO-IKGGRYGDSA-N 2 1 374.485 0.909 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000419513783 246188377 /nfs/dbraw/zinc/18/83/77/246188377.db2.gz NAYRUFUUICGBTG-HZPDHXFCSA-N 2 1 362.474 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419524242 246189566 /nfs/dbraw/zinc/18/95/66/246189566.db2.gz BSUKUGCHQMPFQV-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419524322 246190599 /nfs/dbraw/zinc/19/05/99/246190599.db2.gz BWQUPCZZYQCOJY-RYRKJORJSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419527791 246192268 /nfs/dbraw/zinc/19/22/68/246192268.db2.gz GMLVDFGQSFXVFX-XLMAVXFVSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419454971 246171804 /nfs/dbraw/zinc/17/18/04/246171804.db2.gz VOQJFHCHTWIYKB-JKSUJKDBSA-N 2 1 361.490 0.024 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419586242 246212817 /nfs/dbraw/zinc/21/28/17/246212817.db2.gz MPJWNYFFBADYCL-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419536238 246194852 /nfs/dbraw/zinc/19/48/52/246194852.db2.gz UIXQWYZSURTOFZ-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419665155 246236784 /nfs/dbraw/zinc/23/67/84/246236784.db2.gz SXPWAVCIYHKDOC-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000419682277 246248373 /nfs/dbraw/zinc/24/83/73/246248373.db2.gz SJMROWQCQNYFOS-UHFFFAOYSA-N 2 1 360.449 0.859 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419712838 246265842 /nfs/dbraw/zinc/26/58/42/246265842.db2.gz UMOOEPGUMSFAHM-YJBOKZPZSA-N 2 1 356.470 0.802 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419763538 246289706 /nfs/dbraw/zinc/28/97/06/246289706.db2.gz UOXFIJZMQUPTDE-AWEZNQCLSA-N 2 1 350.438 0.490 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000419769881 246291227 /nfs/dbraw/zinc/29/12/27/246291227.db2.gz WJMAAKHOKBUDTN-QZTJIDSGSA-N 2 1 374.485 0.118 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419786857 246297886 /nfs/dbraw/zinc/29/78/86/246297886.db2.gz ZJDDBOYCOHPHIU-QZTJIDSGSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419723067 246270778 /nfs/dbraw/zinc/27/07/78/246270778.db2.gz NIGZNRJBEULDSE-LBPRGKRZSA-N 2 1 368.428 0.851 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419826048 246307343 /nfs/dbraw/zinc/30/73/43/246307343.db2.gz SDKMEIBLMPNSOO-GJZGRUSLSA-N 2 1 350.463 0.895 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419832241 246310966 /nfs/dbraw/zinc/31/09/66/246310966.db2.gz VOQBURQKQAKFGC-RVKKMQEKSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419832241 246310970 /nfs/dbraw/zinc/31/09/70/246310970.db2.gz VOQBURQKQAKFGC-RVKKMQEKSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000419834970 246312950 /nfs/dbraw/zinc/31/29/50/246312950.db2.gz UPKRTULMHXGMSD-WBVHZDCISA-N 2 1 367.538 0.010 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000419850375 246319556 /nfs/dbraw/zinc/31/95/56/246319556.db2.gz FZFQNXHNDBGXRY-INMHGKMJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419852989 246324669 /nfs/dbraw/zinc/32/46/69/246324669.db2.gz AJIDHLOXVHGNCD-VYDXJSESSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419859211 246328550 /nfs/dbraw/zinc/32/85/50/246328550.db2.gz JHDTYPSEHHBQNM-JKIFEVAISA-N 2 1 366.506 0.188 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419860888 246330740 /nfs/dbraw/zinc/33/07/40/246330740.db2.gz LISXAXMCVADGLB-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419914951 246366167 /nfs/dbraw/zinc/36/61/67/246366167.db2.gz OOGWSNXYJZVPCQ-QGZVFWFLSA-N 2 1 358.486 0.837 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419933361 246374550 /nfs/dbraw/zinc/37/45/50/246374550.db2.gz GRWSCKIDCOOBOF-CEXWTWQISA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419932193 246375211 /nfs/dbraw/zinc/37/52/11/246375211.db2.gz FCKKEKJSLBQEQA-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419878142 246345981 /nfs/dbraw/zinc/34/59/81/246345981.db2.gz YNBRHBIJJLFSBF-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419891945 246354574 /nfs/dbraw/zinc/35/45/74/246354574.db2.gz UMWRDULORCUKPT-GUDVDZBRSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419892120 246355111 /nfs/dbraw/zinc/35/51/11/246355111.db2.gz NWMDINNXLZRMQL-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419900127 246359723 /nfs/dbraw/zinc/35/97/23/246359723.db2.gz QKECJIZRPXIMFI-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419962990 246390614 /nfs/dbraw/zinc/39/06/14/246390614.db2.gz VTHJYJQWCGJYSZ-OAGGEKHMSA-N 2 1 368.522 0.435 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000419966617 246392283 /nfs/dbraw/zinc/39/22/83/246392283.db2.gz YTOJQUNKIKTUAQ-CABCVRRESA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420350382 246549476 /nfs/dbraw/zinc/54/94/76/246549476.db2.gz GQPOGXTWWKWAAI-BXWFABGCSA-N 2 1 360.502 0.945 20 0 FCADMP [NH3+]CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000422819241 246923833 /nfs/dbraw/zinc/92/38/33/246923833.db2.gz MOTXWBYURQORHQ-OAHLLOKOSA-N 2 1 352.479 0.087 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@@H]1C ZINC000423406905 247019885 /nfs/dbraw/zinc/01/98/85/247019885.db2.gz ZIPPVSIXJNCQEY-JYJNAYRXSA-N 2 1 366.506 0.141 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@@H]1C ZINC000423406905 247019891 /nfs/dbraw/zinc/01/98/91/247019891.db2.gz ZIPPVSIXJNCQEY-JYJNAYRXSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308507 247001919 /nfs/dbraw/zinc/00/19/19/247001919.db2.gz ONLKSVDXRJWIRL-SJLPKXTDSA-N 2 1 358.486 0.787 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573309 247058191 /nfs/dbraw/zinc/05/81/91/247058191.db2.gz WBRGPNDVJSABML-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423598161 247069238 /nfs/dbraw/zinc/06/92/38/247069238.db2.gz VYZGXXLXSFEPML-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423598161 247069244 /nfs/dbraw/zinc/06/92/44/247069244.db2.gz VYZGXXLXSFEPML-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000423450748 247029907 /nfs/dbraw/zinc/02/99/07/247029907.db2.gz UECIUZOLSLJQBQ-CVEARBPZSA-N 2 1 368.522 0.247 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423461816 247031868 /nfs/dbraw/zinc/03/18/68/247031868.db2.gz OJTAUOUOMPZWEG-SJLPKXTDSA-N 2 1 374.485 0.296 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501798 247037423 /nfs/dbraw/zinc/03/74/23/247037423.db2.gz DTUJPLFZWSKDJJ-QZTJIDSGSA-N 2 1 374.485 0.296 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501798 247037428 /nfs/dbraw/zinc/03/74/28/247037428.db2.gz DTUJPLFZWSKDJJ-QZTJIDSGSA-N 2 1 374.485 0.296 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423519785 247040783 /nfs/dbraw/zinc/04/07/83/247040783.db2.gz DPRSOGXUDMCJMT-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423519785 247040786 /nfs/dbraw/zinc/04/07/86/247040786.db2.gz DPRSOGXUDMCJMT-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1CCOC ZINC000423523289 247041953 /nfs/dbraw/zinc/04/19/53/247041953.db2.gz IEFDEAOKSBZQJA-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1CCOC ZINC000423523289 247041957 /nfs/dbraw/zinc/04/19/57/247041957.db2.gz IEFDEAOKSBZQJA-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423694523 247113387 /nfs/dbraw/zinc/11/33/87/247113387.db2.gz GDJUVRKSJLWOKZ-DYESRHJHSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423624106 247080772 /nfs/dbraw/zinc/08/07/72/247080772.db2.gz BEFQBAJIYZGRDC-SJLPKXTDSA-N 2 1 358.486 0.569 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640269 247087908 /nfs/dbraw/zinc/08/79/08/247087908.db2.gz WDEBKBAOKYPEGF-PXNSSMCTSA-N 2 1 356.470 0.671 20 0 FCADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645532 247091067 /nfs/dbraw/zinc/09/10/67/247091067.db2.gz KUUDUMIVVHFIRE-QRVBRYPASA-N 2 1 370.497 0.917 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000423696857 247114547 /nfs/dbraw/zinc/11/45/47/247114547.db2.gz MGWKYCQNGMACGL-UAGQMJEPSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423649873 247093233 /nfs/dbraw/zinc/09/32/33/247093233.db2.gz TUMGMCMAUDWNOB-QZTJIDSGSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423653343 247094713 /nfs/dbraw/zinc/09/47/13/247094713.db2.gz OTFVLNUNIHWNKF-HUUCEWRRSA-N 2 1 350.463 0.756 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423653341 247095310 /nfs/dbraw/zinc/09/53/10/247095310.db2.gz OTFVLNUNIHWNKF-GJZGRUSLSA-N 2 1 350.463 0.756 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423663079 247102161 /nfs/dbraw/zinc/10/21/61/247102161.db2.gz NSVRUQLJKPDPFH-RBUKOAKNSA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423663079 247102164 /nfs/dbraw/zinc/10/21/64/247102164.db2.gz NSVRUQLJKPDPFH-RBUKOAKNSA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423668741 247102739 /nfs/dbraw/zinc/10/27/39/247102739.db2.gz WTLYVASERNZSOI-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)C1 ZINC000423671829 247104456 /nfs/dbraw/zinc/10/44/56/247104456.db2.gz XEXOUJHCAXZNRY-HXUWFJFHSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@@H]1C[NH3+] ZINC000423748605 247137908 /nfs/dbraw/zinc/13/79/08/247137908.db2.gz ZRMCWTCZUFXTAX-DOTOQJQBSA-N 2 1 367.538 0.057 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@@H]1C[NH3+] ZINC000423748605 247137914 /nfs/dbraw/zinc/13/79/14/247137914.db2.gz ZRMCWTCZUFXTAX-DOTOQJQBSA-N 2 1 367.538 0.057 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000423927642 247151927 /nfs/dbraw/zinc/15/19/27/247151927.db2.gz QWXFDVUBVVCKSM-IHRRRGAJSA-N 2 1 350.442 0.575 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)C2([NH3+])CCCC2)cc[nH+]1 ZINC000423929302 247152995 /nfs/dbraw/zinc/15/29/95/247152995.db2.gz UFCSFGAKPFSMIW-STQMWFEESA-N 2 1 350.442 0.847 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988452 247156490 /nfs/dbraw/zinc/15/64/90/247156490.db2.gz XOLZUASLISWEPG-PASDCYSWSA-N 2 1 350.507 0.763 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCOC ZINC000423702267 247115649 /nfs/dbraw/zinc/11/56/49/247115649.db2.gz YABXPGYBPIHHRM-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CCOC ZINC000423702267 247115652 /nfs/dbraw/zinc/11/56/52/247115652.db2.gz YABXPGYBPIHHRM-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)CCO1 ZINC000423716986 247121655 /nfs/dbraw/zinc/12/16/55/247121655.db2.gz ASUROBTVFCWUSA-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423723304 247126220 /nfs/dbraw/zinc/12/62/20/247126220.db2.gz HCXUDBNAFWPOCR-JKSUJKDBSA-N 2 1 362.474 0.628 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725774 247128332 /nfs/dbraw/zinc/12/83/32/247128332.db2.gz SVKCDDYXORBNJX-KBAYOESNSA-N 2 1 358.486 0.773 20 0 FCADMP Cn1cc(N2CC[C@@H]([NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)C2=O)cn1 ZINC000424294467 247195994 /nfs/dbraw/zinc/19/59/94/247195994.db2.gz QMPSQXMGBWCYMQ-MRXNPFEDSA-N 2 1 355.446 0.662 20 0 FCADMP [NH3+]C1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CCN(Cc2ccccc2)CC1 ZINC000424036936 247161654 /nfs/dbraw/zinc/16/16/54/247161654.db2.gz IFVJZOQEDLNJNR-GOSISDBHSA-N 2 1 360.502 0.865 20 0 FCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1)Cc1ccccc1 ZINC000424141238 247171263 /nfs/dbraw/zinc/17/12/63/247171263.db2.gz GZPOCCUYTMVNHW-MSOLQXFVSA-N 2 1 358.486 0.820 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000424136195 247172457 /nfs/dbraw/zinc/17/24/57/247172457.db2.gz ADYOMSILLSMOET-CABCVRRESA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000424136195 247172464 /nfs/dbraw/zinc/17/24/64/247172464.db2.gz ADYOMSILLSMOET-CABCVRRESA-N 2 1 350.467 0.385 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000424214225 247178965 /nfs/dbraw/zinc/17/89/65/247178965.db2.gz CCNIMSWQTWICPM-CQSZACIVSA-N 2 1 350.467 0.385 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424491468 247238085 /nfs/dbraw/zinc/23/80/85/247238085.db2.gz DKVYUPCNNOEONY-OQIJWPOYSA-N 2 1 370.497 0.915 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000424495573 247239006 /nfs/dbraw/zinc/23/90/06/247239006.db2.gz QRFCRKNQJWKBTF-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000424497450 247241422 /nfs/dbraw/zinc/24/14/22/247241422.db2.gz XDNUHCDEERRAFE-GJZGRUSLSA-N 2 1 354.495 0.141 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000424552299 247262661 /nfs/dbraw/zinc/26/26/61/247262661.db2.gz XKZSWSZYDSTKTC-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000425385758 247331041 /nfs/dbraw/zinc/33/10/41/247331041.db2.gz KZRGWFQXIGHNPW-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000425385758 247331044 /nfs/dbraw/zinc/33/10/44/247331044.db2.gz KZRGWFQXIGHNPW-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H]1C ZINC000425396796 247335341 /nfs/dbraw/zinc/33/53/41/247335341.db2.gz ZHYSHNSHOQTOBG-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H]1C ZINC000425396796 247335345 /nfs/dbraw/zinc/33/53/45/247335345.db2.gz ZHYSHNSHOQTOBG-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H]1C ZINC000425396796 247335350 /nfs/dbraw/zinc/33/53/50/247335350.db2.gz ZHYSHNSHOQTOBG-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000425446806 247343023 /nfs/dbraw/zinc/34/30/23/247343023.db2.gz QWJMANBINIXPLW-HNNXBMFYSA-N 2 1 369.510 0.078 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576768 247709605 /nfs/dbraw/zinc/70/96/05/247709605.db2.gz XOGLKEBPEHFTDP-STQMWFEESA-N 2 1 354.476 0.722 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000435562922 248000722 /nfs/dbraw/zinc/00/07/22/248000722.db2.gz JVNAHIZPVBHFIR-JKSUJKDBSA-N 2 1 361.490 0.612 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000435562922 248000726 /nfs/dbraw/zinc/00/07/26/248000726.db2.gz JVNAHIZPVBHFIR-JKSUJKDBSA-N 2 1 361.490 0.612 20 0 FCADMP CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625472 248004138 /nfs/dbraw/zinc/00/41/38/248004138.db2.gz LQGHAMBCCWWKBE-ZWKOTPCHSA-N 2 1 354.539 0.923 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000436065398 248031503 /nfs/dbraw/zinc/03/15/03/248031503.db2.gz XPFAWQXIQXYZFK-GVDBMIGSSA-N 2 1 366.506 0.476 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000436065398 248031505 /nfs/dbraw/zinc/03/15/05/248031505.db2.gz XPFAWQXIQXYZFK-GVDBMIGSSA-N 2 1 366.506 0.476 20 0 FCADMP COC(=O)[C@H](O)C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000441230005 248244395 /nfs/dbraw/zinc/24/43/95/248244395.db2.gz IZDCJGAJOALAPJ-QGZVFWFLSA-N 2 1 355.479 0.221 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000443650874 248334939 /nfs/dbraw/zinc/33/49/39/248334939.db2.gz INFBPVWDLKJABQ-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442610219 248293015 /nfs/dbraw/zinc/29/30/15/248293015.db2.gz NLQGUONPDWVXFO-QGZVFWFLSA-N 2 1 369.554 0.404 20 0 FCADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000444357149 248355953 /nfs/dbraw/zinc/35/59/53/248355953.db2.gz MYVSJHFZSMONQW-OAHLLOKOSA-N 2 1 364.490 0.939 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)ccn1 ZINC000452359878 249312465 /nfs/dbraw/zinc/31/24/65/249312465.db2.gz HUYQUAMWWHWIGX-MRXNPFEDSA-N 2 1 350.463 0.599 20 0 FCADMP C[C@H](C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452982236 249340433 /nfs/dbraw/zinc/34/04/33/249340433.db2.gz XYMBDXBFXUBGED-UXJCHEOYSA-N 2 1 362.518 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000453934115 249391756 /nfs/dbraw/zinc/39/17/56/249391756.db2.gz MGBAMXRFYVGPCT-GASCZTMLSA-N 2 1 362.474 0.600 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000453934115 249391764 /nfs/dbraw/zinc/39/17/64/249391764.db2.gz MGBAMXRFYVGPCT-GASCZTMLSA-N 2 1 362.474 0.600 20 0 FCADMP Cc1cc(C)n2c(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cnc2n1 ZINC000470023246 250021321 /nfs/dbraw/zinc/02/13/21/250021321.db2.gz YHTYYGPCVBCJKN-MRXNPFEDSA-N 2 1 356.474 0.990 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470963487 250083706 /nfs/dbraw/zinc/08/37/06/250083706.db2.gz LEGPLZLTBURUMO-PVAVHDDUSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000471650806 250113411 /nfs/dbraw/zinc/11/34/11/250113411.db2.gz WYJQXIAMKMZPPQ-ZWKOTPCHSA-N 2 1 364.490 0.499 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284600 250143513 /nfs/dbraw/zinc/14/35/13/250143513.db2.gz MCOKFRCBNLIDLG-DOTOQJQBSA-N 2 1 368.522 0.532 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000472279828 250142318 /nfs/dbraw/zinc/14/23/18/250142318.db2.gz VPFCYECPCBLODO-QZTJIDSGSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000473258139 250212068 /nfs/dbraw/zinc/21/20/68/250212068.db2.gz ZOPRDGGGQNTWPE-ICSRJNTNSA-N 2 1 362.518 0.794 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000474034741 250265688 /nfs/dbraw/zinc/26/56/88/250265688.db2.gz PUPHIPZTVHBYPH-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000474034741 250265694 /nfs/dbraw/zinc/26/56/94/250265694.db2.gz PUPHIPZTVHBYPH-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000474034741 250265697 /nfs/dbraw/zinc/26/56/97/250265697.db2.gz PUPHIPZTVHBYPH-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932482 250256724 /nfs/dbraw/zinc/25/67/24/250256724.db2.gz MHLWINCUBQMRAL-LSDHHAIUSA-N 2 1 351.499 0.934 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000480942863 250298627 /nfs/dbraw/zinc/29/86/27/250298627.db2.gz WIUGTCWHVAQTNY-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000480942863 250298630 /nfs/dbraw/zinc/29/86/30/250298630.db2.gz WIUGTCWHVAQTNY-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000480942863 250298635 /nfs/dbraw/zinc/29/86/35/250298635.db2.gz WIUGTCWHVAQTNY-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943512 250299120 /nfs/dbraw/zinc/29/91/20/250299120.db2.gz XSTPXJRPUNDFSO-IXDOHACOSA-N 2 1 370.538 0.506 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCSC1 ZINC000481797637 250361050 /nfs/dbraw/zinc/36/10/50/250361050.db2.gz SLACQMGCHXAZHH-XJKSGUPXSA-N 2 1 357.524 0.063 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589197 211016379 /nfs/dbraw/zinc/01/63/79/211016379.db2.gz BXLUGJPNPIZYJZ-QWHCGFSZSA-N 2 1 358.364 0.599 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589197 211016380 /nfs/dbraw/zinc/01/63/80/211016380.db2.gz BXLUGJPNPIZYJZ-QWHCGFSZSA-N 2 1 358.364 0.599 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413075485 532991932 /nfs/dbraw/zinc/99/19/32/532991932.db2.gz PPHRZYFXJMTQGC-OWCLPIDISA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413075485 532991934 /nfs/dbraw/zinc/99/19/34/532991934.db2.gz PPHRZYFXJMTQGC-OWCLPIDISA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413075485 532991939 /nfs/dbraw/zinc/99/19/39/532991939.db2.gz PPHRZYFXJMTQGC-OWCLPIDISA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000413188903 532993984 /nfs/dbraw/zinc/99/39/84/532993984.db2.gz VJYSRQUSZSUPFV-JKSUJKDBSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+](C)C1 ZINC000413447663 532992777 /nfs/dbraw/zinc/99/27/77/532992777.db2.gz DGQMZTVMLCGCGW-OAHLLOKOSA-N 2 1 354.495 0.855 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C[C@H](O)Cn2cccn2)CC1)Cc1ccccc1 ZINC000066534122 208016268 /nfs/dbraw/zinc/01/62/68/208016268.db2.gz MAGDYCXHOPHMNL-FQEVSTJZSA-N 2 1 357.502 0.994 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466073 208088529 /nfs/dbraw/zinc/08/85/29/208088529.db2.gz BGOQWWFJSBFCRL-YJBOKZPZSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466073 208088533 /nfs/dbraw/zinc/08/85/33/208088533.db2.gz BGOQWWFJSBFCRL-YJBOKZPZSA-N 2 1 373.501 0.898 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1=O ZINC000105328447 208199234 /nfs/dbraw/zinc/19/92/34/208199234.db2.gz WNABXEBMODNAIL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC000105328447 208199242 /nfs/dbraw/zinc/19/92/42/208199242.db2.gz WNABXEBMODNAIL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1=O ZINC000105328447 208199250 /nfs/dbraw/zinc/19/92/50/208199250.db2.gz WNABXEBMODNAIL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118116002 208349661 /nfs/dbraw/zinc/34/96/61/208349661.db2.gz PMCOKSJORSKVGY-UHFFFAOYSA-N 2 1 350.463 0.424 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nocc1C ZINC000124623630 208450084 /nfs/dbraw/zinc/45/00/84/208450084.db2.gz OFFCWTSUKGQAMP-AWEZNQCLSA-N 2 1 351.451 0.796 20 0 FCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C2)CC1 ZINC000931878233 674150060 /nfs/dbraw/zinc/15/00/60/674150060.db2.gz BVHYBPAVSIWQRG-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C2)CC1 ZINC000931878233 674150061 /nfs/dbraw/zinc/15/00/61/674150061.db2.gz BVHYBPAVSIWQRG-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176395074 209001554 /nfs/dbraw/zinc/00/15/54/209001554.db2.gz FZNFWENSORYTEA-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176395074 209001558 /nfs/dbraw/zinc/00/15/58/209001558.db2.gz FZNFWENSORYTEA-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCC(=O)NCc3cccnc3)cn2)CC1 ZINC000177890140 209037535 /nfs/dbraw/zinc/03/75/35/209037535.db2.gz PKVHPCBXDZOVLY-UHFFFAOYSA-N 2 1 369.473 0.420 20 0 FCADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178671299 209057073 /nfs/dbraw/zinc/05/70/73/209057073.db2.gz MHKFQZDIZMLLNA-GFCCVEGCSA-N 2 1 358.284 0.788 20 0 FCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000178675992 209057373 /nfs/dbraw/zinc/05/73/73/209057373.db2.gz XFJRNJGZPLAONG-CQSZACIVSA-N 2 1 353.488 0.905 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1=O ZINC000178811954 209061405 /nfs/dbraw/zinc/06/14/05/209061405.db2.gz PDJKOFIUYNEARI-DJIMGWMZSA-N 2 1 350.507 0.905 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000413188901 533479187 /nfs/dbraw/zinc/47/91/87/533479187.db2.gz VJYSRQUSZSUPFV-HOTGVXAUSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413463041 533479754 /nfs/dbraw/zinc/47/97/54/533479754.db2.gz XZCQJXXFZQXPJJ-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+](C)C1 ZINC000413346629 533480739 /nfs/dbraw/zinc/48/07/39/533480739.db2.gz IIKCXUDDYKXLBU-XJKSGUPXSA-N 2 1 358.508 0.170 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)cn2)CC1 ZINC000179343317 209075558 /nfs/dbraw/zinc/07/55/58/209075558.db2.gz GNZFGQNAJLTGJU-GOSISDBHSA-N 2 1 372.517 0.967 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)cn2)CC1 ZINC000179343317 209075560 /nfs/dbraw/zinc/07/55/60/209075560.db2.gz GNZFGQNAJLTGJU-GOSISDBHSA-N 2 1 372.517 0.967 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000188742396 229249525 /nfs/dbraw/zinc/24/95/25/229249525.db2.gz SUVQSDFLOPTYSV-MRXNPFEDSA-N 2 1 362.522 0.505 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188742396 229249527 /nfs/dbraw/zinc/24/95/27/229249527.db2.gz SUVQSDFLOPTYSV-MRXNPFEDSA-N 2 1 362.522 0.505 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194926351 229271034 /nfs/dbraw/zinc/27/10/34/229271034.db2.gz UOKUCIOJKOUFKY-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194926351 229271038 /nfs/dbraw/zinc/27/10/38/229271038.db2.gz UOKUCIOJKOUFKY-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238096517 229276093 /nfs/dbraw/zinc/27/60/93/229276093.db2.gz HGWVGRWZVDUUDU-UHFFFAOYSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238096517 229276098 /nfs/dbraw/zinc/27/60/98/229276098.db2.gz HGWVGRWZVDUUDU-UHFFFAOYSA-N 2 1 354.458 0.991 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410503307 230109288 /nfs/dbraw/zinc/10/92/88/230109288.db2.gz MOJJAYYXTNUHKO-INIZCTEOSA-N 2 1 356.511 0.356 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000410522327 230119085 /nfs/dbraw/zinc/11/90/85/230119085.db2.gz GJCIDAWAAIVMKT-INIZCTEOSA-N 2 1 359.474 0.508 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000410522327 230119087 /nfs/dbraw/zinc/11/90/87/230119087.db2.gz GJCIDAWAAIVMKT-INIZCTEOSA-N 2 1 359.474 0.508 20 0 FCADMP C[C@H]1CSCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000410951943 230321681 /nfs/dbraw/zinc/32/16/81/230321681.db2.gz AWOBAOWKDHLAOR-OAHLLOKOSA-N 2 1 370.563 0.682 20 0 FCADMP C[C@H]1CSCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000410951943 230321685 /nfs/dbraw/zinc/32/16/85/230321685.db2.gz AWOBAOWKDHLAOR-OAHLLOKOSA-N 2 1 370.563 0.682 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410956768 230325765 /nfs/dbraw/zinc/32/57/65/230325765.db2.gz ZKFQNWQPEUJCTQ-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1ccnc(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000411020572 230353081 /nfs/dbraw/zinc/35/30/81/230353081.db2.gz GLDYKZVRUULKQO-KRWDZBQOSA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000411020572 230353091 /nfs/dbraw/zinc/35/30/91/230353091.db2.gz GLDYKZVRUULKQO-KRWDZBQOSA-N 2 1 373.501 0.980 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000933849251 674276594 /nfs/dbraw/zinc/27/65/94/674276594.db2.gz GPCLXWJXSJEUNV-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000475441703 484100285 /nfs/dbraw/zinc/10/02/85/484100285.db2.gz ADDCYEIINZKRIB-UHFFFAOYSA-N 2 1 350.467 0.374 20 0 FCADMP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363833080 488890623 /nfs/dbraw/zinc/89/06/23/488890623.db2.gz WXGUEOMVACJCDB-NXHRZFHOSA-N 2 1 368.522 0.990 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000287756899 488902633 /nfs/dbraw/zinc/90/26/33/488902633.db2.gz LWDIGDNDWXUALC-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562795852 491189941 /nfs/dbraw/zinc/18/99/41/491189941.db2.gz CGJXVOJYDDCOFQ-QGZVFWFLSA-N 2 1 360.506 0.974 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000364048081 488917632 /nfs/dbraw/zinc/91/76/32/488917632.db2.gz NOGAWZXVCGJLTN-FUHWJXTLSA-N 2 1 371.547 0.987 20 0 FCADMP O=C1OCC[C@@]12CCCN2CCOCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000364446288 488960964 /nfs/dbraw/zinc/96/09/64/488960964.db2.gz STJMQWKGGZRHSL-ROUUACIJSA-N 2 1 352.431 0.566 20 0 FCADMP C[C@@H](CN1CCOCC1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000329039901 488962679 /nfs/dbraw/zinc/96/26/79/488962679.db2.gz HWHBAGLOUVAIRS-KRWDZBQOSA-N 2 1 366.506 0.111 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000062505980 488300674 /nfs/dbraw/zinc/30/06/74/488300674.db2.gz PVXMWBJFJRZADC-INIZCTEOSA-N 2 1 363.510 0.628 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816609 491192052 /nfs/dbraw/zinc/19/20/52/491192052.db2.gz VETIDWDFMNSQAO-STQMWFEESA-N 2 1 351.417 0.558 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000067614096 488353392 /nfs/dbraw/zinc/35/33/92/488353392.db2.gz ZXQSTUYCMRWYAO-ROUUACIJSA-N 2 1 370.538 0.735 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609288 488353517 /nfs/dbraw/zinc/35/35/17/488353517.db2.gz JJGRFPCVLZJVNK-MSOLQXFVSA-N 2 1 370.538 0.735 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCOCC2)CC1 ZINC000069248818 488371723 /nfs/dbraw/zinc/37/17/23/488371723.db2.gz TVCCAEJZBIEFDQ-UHFFFAOYSA-N 2 1 361.486 0.770 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000069402246 488372285 /nfs/dbraw/zinc/37/22/85/488372285.db2.gz RPKGLGPDGBJILK-CVEARBPZSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000069402246 488372286 /nfs/dbraw/zinc/37/22/86/488372286.db2.gz RPKGLGPDGBJILK-CVEARBPZSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+]1CCCCC1 ZINC000069410109 488372399 /nfs/dbraw/zinc/37/23/99/488372399.db2.gz LLKIBRAIAKTCJM-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000569808341 491194187 /nfs/dbraw/zinc/19/41/87/491194187.db2.gz ZRTQTHIZLLIAOI-HNNXBMFYSA-N 2 1 361.446 0.384 20 0 FCADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000182782533 488389795 /nfs/dbraw/zinc/38/97/95/488389795.db2.gz MHHMACRWCIJJIA-AWEZNQCLSA-N 2 1 355.504 0.891 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345248 488390714 /nfs/dbraw/zinc/39/07/14/488390714.db2.gz RCVWVFODBFIMNF-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345248 488390716 /nfs/dbraw/zinc/39/07/16/488390716.db2.gz RCVWVFODBFIMNF-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345248 488390718 /nfs/dbraw/zinc/39/07/18/488390718.db2.gz RCVWVFODBFIMNF-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP O=C(CN1CC[NH+](CCO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076453816 488404803 /nfs/dbraw/zinc/40/48/03/488404803.db2.gz DIWRZOSQXZGFCG-UHFFFAOYSA-N 2 1 360.502 0.509 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824719 491196246 /nfs/dbraw/zinc/19/62/46/491196246.db2.gz DSVWRCKKIJYPSY-IAGOWNOFSA-N 2 1 369.473 0.754 20 0 FCADMP COC(=O)CNC(=O)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000077173404 488409086 /nfs/dbraw/zinc/40/90/86/488409086.db2.gz NSDONTARQNCOTJ-IYBDPMFKSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000192860856 488425245 /nfs/dbraw/zinc/42/52/45/488425245.db2.gz GCOMZVKAFOOQJR-UHFFFAOYSA-N 2 1 357.524 0.776 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000193720266 488429271 /nfs/dbraw/zinc/42/92/71/488429271.db2.gz PMMPIBXTGWRHHV-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193720266 488429273 /nfs/dbraw/zinc/42/92/73/488429273.db2.gz PMMPIBXTGWRHHV-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193720266 488429274 /nfs/dbraw/zinc/42/92/74/488429274.db2.gz PMMPIBXTGWRHHV-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193873335 488430368 /nfs/dbraw/zinc/43/03/68/488430368.db2.gz YTHSBGWESFNGLZ-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193873335 488430370 /nfs/dbraw/zinc/43/03/70/488430370.db2.gz YTHSBGWESFNGLZ-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000195139911 488435520 /nfs/dbraw/zinc/43/55/20/488435520.db2.gz YLBMUWNLZORBQX-QGZVFWFLSA-N 2 1 356.511 0.753 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195139835 488435540 /nfs/dbraw/zinc/43/55/40/488435540.db2.gz UQAOGNFUFTUEKC-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000195140085 488435919 /nfs/dbraw/zinc/43/59/19/488435919.db2.gz UTFYJRBVMWDJQN-SFHVURJKSA-N 2 1 369.554 0.668 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000081315474 488440886 /nfs/dbraw/zinc/44/08/86/488440886.db2.gz IOGJKWHKIPKJGB-GOSISDBHSA-N 2 1 374.485 0.696 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000081315474 488440887 /nfs/dbraw/zinc/44/08/87/488440887.db2.gz IOGJKWHKIPKJGB-GOSISDBHSA-N 2 1 374.485 0.696 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000237192203 488455168 /nfs/dbraw/zinc/45/51/68/488455168.db2.gz ACGQATJBRPOCDT-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000245838732 488466341 /nfs/dbraw/zinc/46/63/41/488466341.db2.gz XRFUIKXAEAKSIM-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000245987765 488468924 /nfs/dbraw/zinc/46/89/24/488468924.db2.gz HLXWGGJHEUTYOW-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000245987765 488468926 /nfs/dbraw/zinc/46/89/26/488468926.db2.gz HLXWGGJHEUTYOW-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000246344078 488472542 /nfs/dbraw/zinc/47/25/42/488472542.db2.gz FAQITUCFDDSOQC-LSDHHAIUSA-N 2 1 364.494 0.620 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246774597 488475267 /nfs/dbraw/zinc/47/52/67/488475267.db2.gz IFEMCRCBYUUCRB-DLBZAZTESA-N 2 1 356.511 0.632 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752588 488475316 /nfs/dbraw/zinc/47/53/16/488475316.db2.gz XNAOTWQRVRLRCP-DOTOQJQBSA-N 2 1 365.522 0.807 20 0 FCADMP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@@H]1CC[NH2+]C1 ZINC000246905441 488477446 /nfs/dbraw/zinc/47/74/46/488477446.db2.gz KAHNFBLAPBJNHT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@H]1CC[NH2+]C1 ZINC000246905476 488477714 /nfs/dbraw/zinc/47/77/14/488477714.db2.gz KAHNFBLAPBJNHT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000247018512 488480589 /nfs/dbraw/zinc/48/05/89/488480589.db2.gz HOVSMLOOXXGFGI-XHSDSOJGSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000247018512 488480592 /nfs/dbraw/zinc/48/05/92/488480592.db2.gz HOVSMLOOXXGFGI-XHSDSOJGSA-N 2 1 356.511 0.846 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247070997 488481390 /nfs/dbraw/zinc/48/13/90/488481390.db2.gz OPFQYXBLPHONIA-QZTJIDSGSA-N 2 1 368.522 0.707 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)CC1=O ZINC000247117960 488481613 /nfs/dbraw/zinc/48/16/13/488481613.db2.gz LCMGCMDVOCAXCS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000247117960 488481614 /nfs/dbraw/zinc/48/16/14/488481614.db2.gz LCMGCMDVOCAXCS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000247117960 488481617 /nfs/dbraw/zinc/48/16/17/488481617.db2.gz LCMGCMDVOCAXCS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288103 488487186 /nfs/dbraw/zinc/48/71/86/488487186.db2.gz JQJRKXHUVLFTQA-OALUTQOASA-N 2 1 360.502 0.860 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288103 488487190 /nfs/dbraw/zinc/48/71/90/488487190.db2.gz JQJRKXHUVLFTQA-OALUTQOASA-N 2 1 360.502 0.860 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288103 488487192 /nfs/dbraw/zinc/48/71/92/488487192.db2.gz JQJRKXHUVLFTQA-OALUTQOASA-N 2 1 360.502 0.860 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000101764844 488496277 /nfs/dbraw/zinc/49/62/77/488496277.db2.gz WTUZPSKKUWIBQK-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP CC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000102049247 488497553 /nfs/dbraw/zinc/49/75/53/488497553.db2.gz FQTYAQYALYCBKL-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103314384 488500804 /nfs/dbraw/zinc/50/08/04/488500804.db2.gz JLUJGWAAMNKENG-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104778522 488506019 /nfs/dbraw/zinc/50/60/19/488506019.db2.gz IWQDGCNDDQGASF-HNNXBMFYSA-N 2 1 353.511 0.746 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C1CC1 ZINC000104801473 488506065 /nfs/dbraw/zinc/50/60/65/488506065.db2.gz VHERRXNULYQKSK-AWEZNQCLSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249096844 488506277 /nfs/dbraw/zinc/50/62/77/488506277.db2.gz IPSHJWZAPILTBE-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249116221 488506364 /nfs/dbraw/zinc/50/63/64/488506364.db2.gz OBUQEHPDWFAYNV-IRXDYDNUSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249116221 488506367 /nfs/dbraw/zinc/50/63/67/488506367.db2.gz OBUQEHPDWFAYNV-IRXDYDNUSA-N 2 1 370.538 0.830 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108555032 488519366 /nfs/dbraw/zinc/51/93/66/488519366.db2.gz KTGWLTMGILERHM-KRWDZBQOSA-N 2 1 365.522 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108555032 488519368 /nfs/dbraw/zinc/51/93/68/488519368.db2.gz KTGWLTMGILERHM-KRWDZBQOSA-N 2 1 365.522 0.761 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000111510462 488529566 /nfs/dbraw/zinc/52/95/66/488529566.db2.gz HDFCSAOCESPPNL-KRWDZBQOSA-N 2 1 365.522 0.810 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261687529 488530940 /nfs/dbraw/zinc/53/09/40/488530940.db2.gz HIXIKTRBNBTFOS-MSOLQXFVSA-N 2 1 362.474 0.758 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000261695175 488531158 /nfs/dbraw/zinc/53/11/58/488531158.db2.gz DHTIZAFCVJDYNW-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCOCC1 ZINC000111811923 488531513 /nfs/dbraw/zinc/53/15/13/488531513.db2.gz FCOJMUKVAGVFEI-GOSISDBHSA-N 2 1 370.538 0.737 20 0 FCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271615363 488531697 /nfs/dbraw/zinc/53/16/97/488531697.db2.gz BEXCBJRHIADEFA-CYBMUJFWSA-N 2 1 354.476 0.149 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843867 488537988 /nfs/dbraw/zinc/53/79/88/488537988.db2.gz PSYLXRPZWHSTMW-HOCLYGCPSA-N 2 1 369.307 0.985 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261853547 488538499 /nfs/dbraw/zinc/53/84/99/488538499.db2.gz MPOXRFGGYBKEHO-QLFBSQMISA-N 2 1 360.462 0.384 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261853547 488538500 /nfs/dbraw/zinc/53/85/00/488538500.db2.gz MPOXRFGGYBKEHO-QLFBSQMISA-N 2 1 360.462 0.384 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000114019286 488539337 /nfs/dbraw/zinc/53/93/37/488539337.db2.gz VVOQLJHOYYCPMR-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261885998 488539857 /nfs/dbraw/zinc/53/98/57/488539857.db2.gz PXBCJWDSKQYKJE-WCXIOVBPSA-N 2 1 366.506 0.250 20 0 FCADMP COCCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000261935277 488542563 /nfs/dbraw/zinc/54/25/63/488542563.db2.gz DDVSAZUCGKZBLS-KRWDZBQOSA-N 2 1 363.506 0.984 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)c2)CC1 ZINC000262042358 488547627 /nfs/dbraw/zinc/54/76/27/488547627.db2.gz QIOINMFUPSLOQB-IBGZPJMESA-N 2 1 374.485 0.696 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000262152185 488553846 /nfs/dbraw/zinc/55/38/46/488553846.db2.gz PGRYROKKBHPARH-UHFFFAOYSA-N 3 1 373.545 0.558 20 0 FCADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262171903 488555327 /nfs/dbraw/zinc/55/53/27/488555327.db2.gz QLHDQKFDISKRMB-AWEZNQCLSA-N 2 1 353.488 0.905 20 0 FCADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262171903 488555329 /nfs/dbraw/zinc/55/53/29/488555329.db2.gz QLHDQKFDISKRMB-AWEZNQCLSA-N 2 1 353.488 0.905 20 0 FCADMP COC[C@H]([NH3+])C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000262337885 488564823 /nfs/dbraw/zinc/56/48/23/488564823.db2.gz SIASLPIPYMKBKC-SFHVURJKSA-N 2 1 365.474 0.766 20 0 FCADMP C[NH2+][C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000262387533 488567435 /nfs/dbraw/zinc/56/74/35/488567435.db2.gz NVTBOUJCJLCIPM-SFHVURJKSA-N 2 1 359.474 0.980 20 0 FCADMP COCC[NH2+]CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262632287 488583349 /nfs/dbraw/zinc/58/33/49/488583349.db2.gz FVOIBGUDVJMAQK-KRWDZBQOSA-N 2 1 362.474 0.236 20 0 FCADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000123799968 488587844 /nfs/dbraw/zinc/58/78/44/488587844.db2.gz GEXULISBECSBTA-MRXNPFEDSA-N 2 1 373.501 0.755 20 0 FCADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000123799968 488587847 /nfs/dbraw/zinc/58/78/47/488587847.db2.gz GEXULISBECSBTA-MRXNPFEDSA-N 2 1 373.501 0.755 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000124623886 488594391 /nfs/dbraw/zinc/59/43/91/488594391.db2.gz WIXCUOBWGNBAQZ-OAHLLOKOSA-N 2 1 364.494 0.542 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1(C)C ZINC000262803271 488594427 /nfs/dbraw/zinc/59/44/27/488594427.db2.gz RQYJLXJHVUKVHU-MDZRGWNJSA-N 2 1 354.539 0.909 20 0 FCADMP CC(C)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+](C)CC1 ZINC000262889322 488598237 /nfs/dbraw/zinc/59/82/37/488598237.db2.gz ZZSSDYKYTGSAQT-AEFFLSMTSA-N 2 1 362.522 0.809 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000126047753 488606428 /nfs/dbraw/zinc/60/64/28/488606428.db2.gz IPNOZVWZAJBADJ-HIFRSBDPSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000126047753 488606430 /nfs/dbraw/zinc/60/64/30/488606430.db2.gz IPNOZVWZAJBADJ-HIFRSBDPSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263259016 488607834 /nfs/dbraw/zinc/60/78/34/488607834.db2.gz RYWTYCMOIFACJT-HKUYNNGSSA-N 2 1 360.502 0.767 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263257564 488607980 /nfs/dbraw/zinc/60/79/80/488607980.db2.gz RLCSDMSDPLDZGF-DLTWYDFYSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000263257564 488607981 /nfs/dbraw/zinc/60/79/81/488607981.db2.gz RLCSDMSDPLDZGF-DLTWYDFYSA-N 2 1 354.495 0.186 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000570062597 491213140 /nfs/dbraw/zinc/21/31/40/491213140.db2.gz QCXUMDJMQIXUGC-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563077670 491213414 /nfs/dbraw/zinc/21/34/14/491213414.db2.gz NFCPHUOPTBOSJA-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000133223085 488658385 /nfs/dbraw/zinc/65/83/85/488658385.db2.gz HQTFPNGMQPBQHR-ZDUSSCGKSA-N 2 1 362.434 0.395 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000134030382 488663828 /nfs/dbraw/zinc/66/38/28/488663828.db2.gz CUWLFURKIOKSHO-SJORKVTESA-N 2 1 370.563 0.335 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000134144734 488664963 /nfs/dbraw/zinc/66/49/63/488664963.db2.gz FAQITUCFDDSOQC-GJZGRUSLSA-N 2 1 364.494 0.620 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000134163390 488665115 /nfs/dbraw/zinc/66/51/15/488665115.db2.gz UNDSLSAZJQZSNY-AWEZNQCLSA-N 2 1 350.467 0.231 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136934443 488679687 /nfs/dbraw/zinc/67/96/87/488679687.db2.gz UJJYWXWJAPDZJV-MRXNPFEDSA-N 2 1 350.463 0.863 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000138616614 488682814 /nfs/dbraw/zinc/68/28/14/488682814.db2.gz KSLBYWIPKQYZSP-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000138616614 488682815 /nfs/dbraw/zinc/68/28/15/488682815.db2.gz KSLBYWIPKQYZSP-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000138884036 488683195 /nfs/dbraw/zinc/68/31/95/488683195.db2.gz YMQUMYPYZOWDJK-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150728077 488699099 /nfs/dbraw/zinc/69/90/99/488699099.db2.gz XFAOGLQTDCNQDV-OAHLLOKOSA-N 2 1 350.467 0.374 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150728077 488699102 /nfs/dbraw/zinc/69/91/02/488699102.db2.gz XFAOGLQTDCNQDV-OAHLLOKOSA-N 2 1 350.467 0.374 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842949 488718616 /nfs/dbraw/zinc/71/86/16/488718616.db2.gz LJYGMUWIHYXKNG-IRXDYDNUSA-N 2 1 351.470 0.973 20 0 FCADMP C[N@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000152633253 488721117 /nfs/dbraw/zinc/72/11/17/488721117.db2.gz IJIOXKJYVZLING-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000152633253 488721119 /nfs/dbraw/zinc/72/11/19/488721119.db2.gz IJIOXKJYVZLING-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000152633253 488721121 /nfs/dbraw/zinc/72/11/21/488721121.db2.gz IJIOXKJYVZLING-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000152633253 488721123 /nfs/dbraw/zinc/72/11/23/488721123.db2.gz IJIOXKJYVZLING-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153276565 488729815 /nfs/dbraw/zinc/72/98/15/488729815.db2.gz GHYHUYBPZLITPD-AWEZNQCLSA-N 2 1 350.467 0.374 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155484243 488755658 /nfs/dbraw/zinc/75/56/58/488755658.db2.gz ZSUAALXFLQXPHS-SFHVURJKSA-N 2 1 352.523 0.726 20 0 FCADMP Cc1cc(N2CCN(C(=O)CN3CC[C@@H](CO)C3)CC2)nc(C(C)C)n1 ZINC000157424781 488771590 /nfs/dbraw/zinc/77/15/90/488771590.db2.gz NGDAXLDUFSYELZ-MRXNPFEDSA-N 2 1 361.490 0.871 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000167814507 488812526 /nfs/dbraw/zinc/81/25/26/488812526.db2.gz JIPNHRQMBOTLGV-SJORKVTESA-N 2 1 350.507 0.907 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000171195117 488820964 /nfs/dbraw/zinc/82/09/64/488820964.db2.gz PYJONUSRXBUOLY-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570189003 491223242 /nfs/dbraw/zinc/22/32/42/491223242.db2.gz VZWCQQOZUXRUSJ-HOCLYGCPSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570189003 491223245 /nfs/dbraw/zinc/22/32/45/491223245.db2.gz VZWCQQOZUXRUSJ-HOCLYGCPSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000172677629 488836780 /nfs/dbraw/zinc/83/67/80/488836780.db2.gz WQQIQCMQTRVQRA-IAGOWNOFSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000173487763 488843063 /nfs/dbraw/zinc/84/30/63/488843063.db2.gz OVWUNKLGBUVSPI-QZTJIDSGSA-N 2 1 369.554 0.526 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000174206787 488847796 /nfs/dbraw/zinc/84/77/96/488847796.db2.gz HNJYCLFETGHJAK-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)sc2C1 ZINC000174458697 488849209 /nfs/dbraw/zinc/84/92/09/488849209.db2.gz SOYSSTJXYOYQIY-LBPRGKRZSA-N 2 1 365.503 0.870 20 0 FCADMP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)sc2C1 ZINC000174458697 488849210 /nfs/dbraw/zinc/84/92/10/488849210.db2.gz SOYSSTJXYOYQIY-LBPRGKRZSA-N 2 1 365.503 0.870 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175575184 488854443 /nfs/dbraw/zinc/85/44/43/488854443.db2.gz ACOXNOUOGBPFOQ-GOSISDBHSA-N 2 1 369.554 0.668 20 0 FCADMP CNC(=O)[C@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000178594442 488860502 /nfs/dbraw/zinc/86/05/02/488860502.db2.gz WCYUZMPSQGUJNO-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CNC(=O)[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000178594442 488860503 /nfs/dbraw/zinc/86/05/03/488860503.db2.gz WCYUZMPSQGUJNO-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)CN1C ZINC000329202007 488980017 /nfs/dbraw/zinc/98/00/17/488980017.db2.gz WUTRQFPJQCHZDL-IKGGRYGDSA-N 2 1 366.506 0.251 20 0 FCADMP O=C(CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000280815579 489033315 /nfs/dbraw/zinc/03/33/15/489033315.db2.gz MQTQPEJEXUAQKR-WIYYLYMNSA-N 2 1 370.497 0.837 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1noc(C)c1C ZINC000570298725 491231341 /nfs/dbraw/zinc/23/13/41/491231341.db2.gz DIGCNWFILJBXHP-HNNXBMFYSA-N 2 1 365.478 1.104 20 0 FCADMP CN(CCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1)CC[NH+](C)C ZINC000289561028 489077824 /nfs/dbraw/zinc/07/78/24/489077824.db2.gz XUEDSFBKQSDVPN-UHFFFAOYSA-N 2 1 356.536 0.780 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000331372559 489203030 /nfs/dbraw/zinc/20/30/30/489203030.db2.gz FFNQCWMKFPIYGA-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331426102 489209185 /nfs/dbraw/zinc/20/91/85/489209185.db2.gz POPGDJQAPVAHII-NXOAAHMSSA-N 2 1 350.507 0.905 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331426098 489209285 /nfs/dbraw/zinc/20/92/85/489209285.db2.gz POPGDJQAPVAHII-LUKYLMHMSA-N 2 1 350.507 0.905 20 0 FCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451286 491241758 /nfs/dbraw/zinc/24/17/58/491241758.db2.gz FXBRUTAPDXIHHH-HOTGVXAUSA-N 2 1 367.490 0.618 20 0 FCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451286 491241760 /nfs/dbraw/zinc/24/17/60/491241760.db2.gz FXBRUTAPDXIHHH-HOTGVXAUSA-N 2 1 367.490 0.618 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+](C2CC2)C1 ZINC000333982300 489263937 /nfs/dbraw/zinc/26/39/37/489263937.db2.gz CTWIHVOYNNSRGZ-HNNXBMFYSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+](C2CC2)C1 ZINC000333982300 489263940 /nfs/dbraw/zinc/26/39/40/489263940.db2.gz CTWIHVOYNNSRGZ-HNNXBMFYSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540520 489272607 /nfs/dbraw/zinc/27/26/07/489272607.db2.gz RSIUZZUDNFEEDV-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283540520 489272610 /nfs/dbraw/zinc/27/26/10/489272610.db2.gz RSIUZZUDNFEEDV-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283540520 489272614 /nfs/dbraw/zinc/27/26/14/489272614.db2.gz RSIUZZUDNFEEDV-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000297988757 489274634 /nfs/dbraw/zinc/27/46/34/489274634.db2.gz RCUFLLRXZIMZEV-UHFFFAOYSA-N 2 1 362.474 0.867 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263613 489308546 /nfs/dbraw/zinc/30/85/46/489308546.db2.gz KXYNRCMSSFWXFY-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263613 489308550 /nfs/dbraw/zinc/30/85/50/489308550.db2.gz KXYNRCMSSFWXFY-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263613 489308553 /nfs/dbraw/zinc/30/85/53/489308553.db2.gz KXYNRCMSSFWXFY-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000285995116 489343695 /nfs/dbraw/zinc/34/36/95/489343695.db2.gz TWFCKJKPQGCVKY-UHFFFAOYSA-N 2 1 365.478 0.267 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CCCO1 ZINC000563471580 491250070 /nfs/dbraw/zinc/25/00/70/491250070.db2.gz FTTWLVOOJSOYTJ-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000370468562 489363634 /nfs/dbraw/zinc/36/36/34/489363634.db2.gz JKVCGOUDNSCULL-OAFZBRQQSA-N 2 1 353.507 0.992 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000370569539 489376552 /nfs/dbraw/zinc/37/65/52/489376552.db2.gz OPBANOYMYJBPEP-GVDBMIGSSA-N 2 1 354.495 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000370569539 489376555 /nfs/dbraw/zinc/37/65/55/489376555.db2.gz OPBANOYMYJBPEP-GVDBMIGSSA-N 2 1 354.495 0.650 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000362443808 489387390 /nfs/dbraw/zinc/38/73/90/489387390.db2.gz ZOZMDWSFVOQNGD-INIZCTEOSA-N 2 1 365.522 0.570 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362705199 489393442 /nfs/dbraw/zinc/39/34/42/489393442.db2.gz WRNZURPBTRMBDB-HXUWFJFHSA-N 2 1 371.529 0.705 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000563532135 491252916 /nfs/dbraw/zinc/25/29/16/491252916.db2.gz IGSCQZKROVDQFS-HRCADAONSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n1C ZINC000286670338 489415684 /nfs/dbraw/zinc/41/56/84/489415684.db2.gz AXTRSFFLPIQLRC-CQSZACIVSA-N 2 1 364.494 0.435 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)n1C ZINC000286670338 489415686 /nfs/dbraw/zinc/41/56/86/489415686.db2.gz AXTRSFFLPIQLRC-CQSZACIVSA-N 2 1 364.494 0.435 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312870 489451043 /nfs/dbraw/zinc/45/10/43/489451043.db2.gz CBAIATIVQDZJKZ-ZIAGYGMSSA-N 2 1 360.462 0.047 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312870 489451045 /nfs/dbraw/zinc/45/10/45/489451045.db2.gz CBAIATIVQDZJKZ-ZIAGYGMSSA-N 2 1 360.462 0.047 20 0 FCADMP COC(=O)NCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363322114 489452376 /nfs/dbraw/zinc/45/23/76/489452376.db2.gz ZUZWOWGMVBIQKI-UHFFFAOYSA-N 2 1 354.495 0.997 20 0 FCADMP C[NH+]1CCC(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299540830 489453544 /nfs/dbraw/zinc/45/35/44/489453544.db2.gz VNRNLUCWKVPEPU-UHFFFAOYSA-N 2 1 360.506 0.987 20 0 FCADMP C[C@@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000363388767 489461462 /nfs/dbraw/zinc/46/14/62/489461462.db2.gz AEUHRAOLSYIWER-HNNXBMFYSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000363388767 489461464 /nfs/dbraw/zinc/46/14/64/489461464.db2.gz AEUHRAOLSYIWER-HNNXBMFYSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394468 489462409 /nfs/dbraw/zinc/46/24/09/489462409.db2.gz AQJOZIUNCKAYNK-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1=O ZINC000363394468 489462413 /nfs/dbraw/zinc/46/24/13/489462413.db2.gz AQJOZIUNCKAYNK-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1=O ZINC000363394468 489462415 /nfs/dbraw/zinc/46/24/15/489462415.db2.gz AQJOZIUNCKAYNK-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1C ZINC000287159244 489466315 /nfs/dbraw/zinc/46/63/15/489466315.db2.gz YYXUZYQOTVCNRH-AWEZNQCLSA-N 2 1 362.478 0.047 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cn2)CC1 ZINC000371324996 489477045 /nfs/dbraw/zinc/47/70/45/489477045.db2.gz BIUFSBCBNZXARD-ROUUACIJSA-N 2 1 360.506 0.259 20 0 FCADMP COC[C@@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000423086842 489492251 /nfs/dbraw/zinc/49/22/51/489492251.db2.gz MOLRQZBUJNNNJD-OAHLLOKOSA-N 2 1 367.412 0.726 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000423107244 489493626 /nfs/dbraw/zinc/49/36/26/489493626.db2.gz DYHCYXRKTBSYNL-UHFFFAOYSA-N 2 1 350.488 0.385 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423120406 489494833 /nfs/dbraw/zinc/49/48/33/489494833.db2.gz GKRWEQXCFPZREV-BPQIPLTHSA-N 2 1 358.486 0.740 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423186143 489500684 /nfs/dbraw/zinc/50/06/84/489500684.db2.gz KLVQDFDXNRKFHL-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423237044 489506463 /nfs/dbraw/zinc/50/64/63/489506463.db2.gz HXEFRUYQLOCAPU-SFHVURJKSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000563627438 491259686 /nfs/dbraw/zinc/25/96/86/491259686.db2.gz ALXJAKYLYQVGDY-MAUKXSAKSA-N 2 1 358.486 0.881 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423301091 489513180 /nfs/dbraw/zinc/51/31/80/489513180.db2.gz FLSAUMQOHJRXOJ-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000563637984 491260101 /nfs/dbraw/zinc/26/01/01/491260101.db2.gz QXIFQVICXHBJTF-NCOADZHNSA-N 2 1 357.458 0.385 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000415442910 489521841 /nfs/dbraw/zinc/52/18/41/489521841.db2.gz GLGUCVONLVSZNT-CRAIPNDOSA-N 2 1 374.485 0.696 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371959600 489528757 /nfs/dbraw/zinc/52/87/57/489528757.db2.gz KUIUSLZOIQCRON-UHFFFAOYSA-N 2 1 369.554 0.624 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000425865427 489535799 /nfs/dbraw/zinc/53/57/99/489535799.db2.gz DFESNTKACHSRDW-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000425865427 489535803 /nfs/dbraw/zinc/53/58/03/489535803.db2.gz DFESNTKACHSRDW-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091960 489543976 /nfs/dbraw/zinc/54/39/76/489543976.db2.gz MITUGIOAJUOGKZ-QGZVFWFLSA-N 2 1 373.501 0.876 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091960 489543978 /nfs/dbraw/zinc/54/39/78/489543978.db2.gz MITUGIOAJUOGKZ-QGZVFWFLSA-N 2 1 373.501 0.876 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000425909599 489548223 /nfs/dbraw/zinc/54/82/23/489548223.db2.gz PXYJHOUQBBRGFQ-OAHLLOKOSA-N 2 1 366.506 0.322 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000425909599 489548228 /nfs/dbraw/zinc/54/82/28/489548228.db2.gz PXYJHOUQBBRGFQ-OAHLLOKOSA-N 2 1 366.506 0.322 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372221325 489560525 /nfs/dbraw/zinc/56/05/25/489560525.db2.gz IFYVMYVWFWQZQB-IKGGRYGDSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372221325 489560529 /nfs/dbraw/zinc/56/05/29/489560529.db2.gz IFYVMYVWFWQZQB-IKGGRYGDSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372221325 489560534 /nfs/dbraw/zinc/56/05/34/489560534.db2.gz IFYVMYVWFWQZQB-IKGGRYGDSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870548 489562486 /nfs/dbraw/zinc/56/24/86/489562486.db2.gz TVRBGFPMFSMRMG-CRAIPNDOSA-N 2 1 374.485 0.962 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000415992760 489567254 /nfs/dbraw/zinc/56/72/54/489567254.db2.gz HQNAZMKCNLMCDL-OLZOCXBDSA-N 2 1 353.433 0.837 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454641937 489573940 /nfs/dbraw/zinc/57/39/40/489573940.db2.gz FPDGUYHMHMRZRA-ARFHVFGLSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454641937 489573944 /nfs/dbraw/zinc/57/39/44/489573944.db2.gz FPDGUYHMHMRZRA-ARFHVFGLSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454641937 489573948 /nfs/dbraw/zinc/57/39/48/489573948.db2.gz FPDGUYHMHMRZRA-ARFHVFGLSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[N@@H+]1C ZINC000454642088 489574148 /nfs/dbraw/zinc/57/41/48/489574148.db2.gz FWGASDDJGHTHEY-XHSDSOJGSA-N 2 1 353.511 0.663 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000454642088 489574151 /nfs/dbraw/zinc/57/41/51/489574151.db2.gz FWGASDDJGHTHEY-XHSDSOJGSA-N 2 1 353.511 0.663 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000454642088 489574153 /nfs/dbraw/zinc/57/41/53/489574153.db2.gz FWGASDDJGHTHEY-XHSDSOJGSA-N 2 1 353.511 0.663 20 0 FCADMP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787353 491264564 /nfs/dbraw/zinc/26/45/64/491264564.db2.gz FTMYMJUIMQSKFY-SJORKVTESA-N 2 1 358.490 0.589 20 0 FCADMP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787353 491264566 /nfs/dbraw/zinc/26/45/66/491264566.db2.gz FTMYMJUIMQSKFY-SJORKVTESA-N 2 1 358.490 0.589 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000426800301 489583000 /nfs/dbraw/zinc/58/30/00/489583000.db2.gz NGTWWGQYQSAJAY-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000426800301 489583002 /nfs/dbraw/zinc/58/30/02/489583002.db2.gz NGTWWGQYQSAJAY-IRXDYDNUSA-N 2 1 368.522 0.545 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000426901999 489585813 /nfs/dbraw/zinc/58/58/13/489585813.db2.gz ZLTYHRFQVFMFGM-KBUPBQIOSA-N 2 1 363.510 0.513 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000563725252 491265750 /nfs/dbraw/zinc/26/57/50/491265750.db2.gz KVHMXWXUTKHXMG-FXAWDEMLSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591691 489614975 /nfs/dbraw/zinc/61/49/75/489614975.db2.gz MMTCUUGOVFLXLX-CZUORRHYSA-N 2 1 374.489 0.687 20 0 FCADMP COCC1(CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[NH2+]CC1 ZINC000416858462 489631746 /nfs/dbraw/zinc/63/17/46/489631746.db2.gz AHAWQBYIKNMTRU-INIZCTEOSA-N 2 1 356.511 0.659 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416944621 489634644 /nfs/dbraw/zinc/63/46/44/489634644.db2.gz GVKJMNCFGCEKQS-JKSUJKDBSA-N 2 1 361.494 0.558 20 0 FCADMP CC(C)C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416941478 489634896 /nfs/dbraw/zinc/63/48/96/489634896.db2.gz QLPVYGDPVNQITG-QGZVFWFLSA-N 2 1 355.527 0.328 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416946578 489635235 /nfs/dbraw/zinc/63/52/35/489635235.db2.gz FYTJKUUHFUNRCL-IAGOWNOFSA-N 2 1 356.511 0.883 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416946804 489635529 /nfs/dbraw/zinc/63/55/29/489635529.db2.gz IVEXNOYQNIMTQN-INIZCTEOSA-N 2 1 361.494 0.512 20 0 FCADMP C[C@@H]1[NH2+]CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H]1C ZINC000416960428 489636926 /nfs/dbraw/zinc/63/69/26/489636926.db2.gz NZNGVPNJTZBDJZ-HOTGVXAUSA-N 2 1 361.494 0.381 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000416974712 489637326 /nfs/dbraw/zinc/63/73/26/489637326.db2.gz MIOUIHWTMCSNHO-QGZVFWFLSA-N 2 1 361.490 0.857 20 0 FCADMP CN(C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000416973863 489637537 /nfs/dbraw/zinc/63/75/37/489637537.db2.gz JWMVWIUAYPZBIP-UHFFFAOYSA-N 2 1 359.474 0.705 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417003387 489638232 /nfs/dbraw/zinc/63/82/32/489638232.db2.gz HIGYURDAINQRSY-SFHVURJKSA-N 2 1 373.501 0.541 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CC[NH2+]C2)CC1 ZINC000417056465 489639912 /nfs/dbraw/zinc/63/99/12/489639912.db2.gz ZJHZQSVEXYGNGH-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP C[C@H]1[NH2+]CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000417363645 489649540 /nfs/dbraw/zinc/64/95/40/489649540.db2.gz AUPBRSUSPGMPMB-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000417361657 489649678 /nfs/dbraw/zinc/64/96/78/489649678.db2.gz CXKSQUTXTRCEAV-KRWDZBQOSA-N 2 1 360.506 0.893 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCOCC1 ZINC000457589330 489649872 /nfs/dbraw/zinc/64/98/72/489649872.db2.gz DATPORWRXWKUCA-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCOCC1 ZINC000457589330 489649876 /nfs/dbraw/zinc/64/98/76/489649876.db2.gz DATPORWRXWKUCA-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417382240 489650535 /nfs/dbraw/zinc/65/05/35/489650535.db2.gz JINFWMZARRCFTE-AEFFLSMTSA-N 2 1 358.490 0.597 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417378730 489650590 /nfs/dbraw/zinc/65/05/90/489650590.db2.gz FLONJCJIWGZKDB-QZTJIDSGSA-N 2 1 372.517 0.845 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)N1CCOCC1 ZINC000457610541 489651803 /nfs/dbraw/zinc/65/18/03/489651803.db2.gz UTBOPSOEODDCNK-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457610541 489651808 /nfs/dbraw/zinc/65/18/08/489651808.db2.gz UTBOPSOEODDCNK-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417429040 489652904 /nfs/dbraw/zinc/65/29/04/489652904.db2.gz MPDJOKRUNDFJAC-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417447368 489654207 /nfs/dbraw/zinc/65/42/07/489654207.db2.gz PDMNAZCZGYBENR-UNEWFSDZSA-N 2 1 353.511 0.663 20 0 FCADMP C[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542251 489657756 /nfs/dbraw/zinc/65/77/56/489657756.db2.gz DHAVVUVENRVNHS-YJBOKZPZSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417550127 489658166 /nfs/dbraw/zinc/65/81/66/489658166.db2.gz UNPLRQUQRXMRHF-PBHICJAKSA-N 2 1 361.490 0.778 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C1 ZINC000417547885 489658364 /nfs/dbraw/zinc/65/83/64/489658364.db2.gz PQSZWBNUQKJCCV-WNRNVDISSA-N 2 1 371.485 0.401 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000417710341 489662330 /nfs/dbraw/zinc/66/23/30/489662330.db2.gz PIFCYPHQBKQNHK-CABCVRRESA-N 2 1 351.495 0.500 20 0 FCADMP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000428776449 489663404 /nfs/dbraw/zinc/66/34/04/489663404.db2.gz BPZCDJNEKGIIHL-FQEVSTJZSA-N 2 1 359.470 0.967 20 0 FCADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000428776449 489663406 /nfs/dbraw/zinc/66/34/06/489663406.db2.gz BPZCDJNEKGIIHL-FQEVSTJZSA-N 2 1 359.470 0.967 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417745752 489663955 /nfs/dbraw/zinc/66/39/55/489663955.db2.gz FJJFGGVOYWFXAO-RYQLBKOJSA-N 2 1 351.539 0.947 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417751629 489664140 /nfs/dbraw/zinc/66/41/40/489664140.db2.gz ZEMKVHMBUUCQAD-IRXDYDNUSA-N 2 1 360.506 0.891 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1=O ZINC000428956949 489668655 /nfs/dbraw/zinc/66/86/55/489668655.db2.gz ZICALADQDJVLME-YLFCFFPRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000417855075 489668688 /nfs/dbraw/zinc/66/86/88/489668688.db2.gz KUAVLGMAZNEMNG-CABCVRRESA-N 2 1 353.511 0.569 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418067202 489677510 /nfs/dbraw/zinc/67/75/10/489677510.db2.gz BHCTWSYUPVCHHX-GOSISDBHSA-N 2 1 364.490 0.813 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418080741 489677650 /nfs/dbraw/zinc/67/76/50/489677650.db2.gz STKXJWGFIKLZMK-INIZCTEOSA-N 2 1 352.504 0.567 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418080741 489677653 /nfs/dbraw/zinc/67/76/53/489677653.db2.gz STKXJWGFIKLZMK-INIZCTEOSA-N 2 1 352.504 0.567 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000458406352 489681423 /nfs/dbraw/zinc/68/14/23/489681423.db2.gz CBKPRFWMAMNKCG-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458406352 489681424 /nfs/dbraw/zinc/68/14/24/489681424.db2.gz CBKPRFWMAMNKCG-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458406352 489681426 /nfs/dbraw/zinc/68/14/26/489681426.db2.gz CBKPRFWMAMNKCG-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462157 489684389 /nfs/dbraw/zinc/68/43/89/489684389.db2.gz PUDOTNVYGKRZEH-QZTJIDSGSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462157 489684392 /nfs/dbraw/zinc/68/43/92/489684392.db2.gz PUDOTNVYGKRZEH-QZTJIDSGSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462157 489684395 /nfs/dbraw/zinc/68/43/95/489684395.db2.gz PUDOTNVYGKRZEH-QZTJIDSGSA-N 2 1 369.554 0.406 20 0 FCADMP C[NH2+]CCCNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418275958 489687754 /nfs/dbraw/zinc/68/77/54/489687754.db2.gz DWKGJIKOZPFTJS-HZPDHXFCSA-N 2 1 356.511 0.896 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297140 489689483 /nfs/dbraw/zinc/68/94/83/489689483.db2.gz KMMFYXGINJOMPE-LJQANCHMSA-N 2 1 374.533 0.983 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000563825694 491271723 /nfs/dbraw/zinc/27/17/23/491271723.db2.gz DXJRNDPBULFJMV-INIZCTEOSA-N 2 1 369.554 0.223 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH+]1CCOC ZINC000458848573 489705364 /nfs/dbraw/zinc/70/53/64/489705364.db2.gz RMQQDSBIRQEAQX-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[NH+]1CCOC ZINC000458848573 489705368 /nfs/dbraw/zinc/70/53/68/489705368.db2.gz RMQQDSBIRQEAQX-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000563849106 491272594 /nfs/dbraw/zinc/27/25/94/491272594.db2.gz LDVVKEFIBCYIDU-HZPDHXFCSA-N 2 1 371.533 0.816 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000418565587 489707853 /nfs/dbraw/zinc/70/78/53/489707853.db2.gz VNTIAMPXUWEETF-SCTDSRPQSA-N 2 1 362.474 0.507 20 0 FCADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000458941358 489709257 /nfs/dbraw/zinc/70/92/57/489709257.db2.gz SSJHZRDSUZCOTK-PKOBYXMFSA-N 2 1 370.538 0.879 20 0 FCADMP COC[C@@]1(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000418635080 489713549 /nfs/dbraw/zinc/71/35/49/489713549.db2.gz KDWUGJOPSUHEJI-SFHVURJKSA-N 2 1 355.527 0.422 20 0 FCADMP COC[C@@]1(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418635080 489713552 /nfs/dbraw/zinc/71/35/52/489713552.db2.gz KDWUGJOPSUHEJI-SFHVURJKSA-N 2 1 355.527 0.422 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)C1 ZINC000418658996 489716219 /nfs/dbraw/zinc/71/62/19/489716219.db2.gz KYKABACMBXHGGE-VNQPRFMTSA-N 2 1 352.479 0.653 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)C1 ZINC000418658996 489716223 /nfs/dbraw/zinc/71/62/23/489716223.db2.gz KYKABACMBXHGGE-VNQPRFMTSA-N 2 1 352.479 0.653 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000489542012 489716855 /nfs/dbraw/zinc/71/68/55/489716855.db2.gz AAOIXSUPZYBTFM-ZWKOTPCHSA-N 2 1 369.554 0.549 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[NH+]2CCN1CCC2 ZINC000430105756 489720375 /nfs/dbraw/zinc/72/03/75/489720375.db2.gz PXQAGSULXJEUHV-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000430105756 489720377 /nfs/dbraw/zinc/72/03/77/489720377.db2.gz PXQAGSULXJEUHV-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000430105756 489720381 /nfs/dbraw/zinc/72/03/81/489720381.db2.gz PXQAGSULXJEUHV-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000469705147 489720943 /nfs/dbraw/zinc/72/09/43/489720943.db2.gz RXJFELHTCPWNNG-OKILXGFUSA-N 2 1 350.467 0.372 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(F)F ZINC000418746654 489721301 /nfs/dbraw/zinc/72/13/01/489721301.db2.gz XWXJTBMTZSIIHK-ZNMIVQPWSA-N 2 1 356.417 0.904 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774523 489725893 /nfs/dbraw/zinc/72/58/93/489725893.db2.gz YWRMCMPOHMNNGB-RTBURBONSA-N 2 1 374.533 0.981 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)CC1 ZINC000489748574 489726616 /nfs/dbraw/zinc/72/66/16/489726616.db2.gz ZZCRSTUWIOSBLE-QGZVFWFLSA-N 2 1 354.564 0.910 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418794668 489728238 /nfs/dbraw/zinc/72/82/38/489728238.db2.gz RKXUVMUFCNHHGI-MJGOQNOKSA-N 2 1 362.474 0.301 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000570928735 491274449 /nfs/dbraw/zinc/27/44/49/491274449.db2.gz NUQRROTYEBDMTB-IRXDYDNUSA-N 2 1 368.522 0.532 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])S(C)(=O)=O ZINC000489803289 489728957 /nfs/dbraw/zinc/72/89/57/489728957.db2.gz UKCZKSICIPIPBN-OAHLLOKOSA-N 2 1 362.540 0.366 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])S(C)(=O)=O ZINC000489803289 489728961 /nfs/dbraw/zinc/72/89/61/489728961.db2.gz UKCZKSICIPIPBN-OAHLLOKOSA-N 2 1 362.540 0.366 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000489861908 489731817 /nfs/dbraw/zinc/73/18/17/489731817.db2.gz UEQBLJSKYDQDCG-AWEZNQCLSA-N 2 1 354.476 0.866 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987086 489739306 /nfs/dbraw/zinc/73/93/06/489739306.db2.gz GJXFNNNIXIVFPF-HOTGVXAUSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987086 489739310 /nfs/dbraw/zinc/73/93/10/489739310.db2.gz GJXFNNNIXIVFPF-HOTGVXAUSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987086 489739316 /nfs/dbraw/zinc/73/93/16/489739316.db2.gz GJXFNNNIXIVFPF-HOTGVXAUSA-N 2 1 368.547 0.484 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829369 489741945 /nfs/dbraw/zinc/74/19/45/489741945.db2.gz IOPSDYBYKKSRNU-HIFRSBDPSA-N 2 1 350.463 0.893 20 0 FCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430545171 489744942 /nfs/dbraw/zinc/74/49/42/489744942.db2.gz HLOYDROBFZFGFV-HNNXBMFYSA-N 2 1 356.492 0.968 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418833995 489745749 /nfs/dbraw/zinc/74/57/49/489745749.db2.gz LNKHYUOEXWQNSX-BZUAXINKSA-N 2 1 360.458 0.601 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)ccc1C ZINC000430596703 489749104 /nfs/dbraw/zinc/74/91/04/489749104.db2.gz XPCSTYPZBWCOMK-UHFFFAOYSA-N 2 1 354.476 0.512 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000418839642 489749913 /nfs/dbraw/zinc/74/99/13/489749913.db2.gz DGXFGKGZAZNECT-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537038 489750215 /nfs/dbraw/zinc/75/02/15/489750215.db2.gz AZWVNLJPVYYSHP-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537038 489750218 /nfs/dbraw/zinc/75/02/18/489750218.db2.gz AZWVNLJPVYYSHP-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430602205 489751208 /nfs/dbraw/zinc/75/12/08/489751208.db2.gz GMQRCSFHVQMNRB-KBPBESRZSA-N 2 1 352.504 0.582 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccco1 ZINC000418841534 489751270 /nfs/dbraw/zinc/75/12/70/489751270.db2.gz ZDVATGRYLJYIMM-HNNXBMFYSA-N 2 1 362.474 0.991 20 0 FCADMP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610562 489753883 /nfs/dbraw/zinc/75/38/83/489753883.db2.gz LAQJNMUOAXXMMR-AAEUAGOBSA-N 2 1 353.492 0.874 20 0 FCADMP Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610562 489753884 /nfs/dbraw/zinc/75/38/84/489753884.db2.gz LAQJNMUOAXXMMR-AAEUAGOBSA-N 2 1 353.492 0.874 20 0 FCADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613244 489753978 /nfs/dbraw/zinc/75/39/78/489753978.db2.gz UUJGIILNMIMCFB-VYDXJSESSA-N 2 1 374.485 0.802 20 0 FCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430622864 489756572 /nfs/dbraw/zinc/75/65/72/489756572.db2.gz MIOOEVXQHZXEMA-CYBMUJFWSA-N 2 1 354.476 0.594 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000418851919 489756693 /nfs/dbraw/zinc/75/66/93/489756693.db2.gz QEWNUFUETUPRHD-ZBFHGGJFSA-N 2 1 362.474 0.625 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000418853185 489757725 /nfs/dbraw/zinc/75/77/25/489757725.db2.gz RTRJWUCKHXVDBD-IMJJTQAJSA-N 2 1 362.474 0.671 20 0 FCADMP COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430627792 489758145 /nfs/dbraw/zinc/75/81/45/489758145.db2.gz NOXVSWXYPYFWNB-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP COc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430627792 489758147 /nfs/dbraw/zinc/75/81/47/489758147.db2.gz NOXVSWXYPYFWNB-HNNXBMFYSA-N 2 1 360.458 0.778 20 0 FCADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430633876 489759312 /nfs/dbraw/zinc/75/93/12/489759312.db2.gz CIDMAFATPCBHNP-AWEZNQCLSA-N 2 1 369.487 0.256 20 0 FCADMP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430633876 489759316 /nfs/dbraw/zinc/75/93/16/489759316.db2.gz CIDMAFATPCBHNP-AWEZNQCLSA-N 2 1 369.487 0.256 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000418856553 489759647 /nfs/dbraw/zinc/75/96/47/489759647.db2.gz XCXGWLZSKRQIMD-OAHLLOKOSA-N 2 1 364.490 0.857 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000418856681 489760499 /nfs/dbraw/zinc/76/04/99/489760499.db2.gz XFRHJRLXYUFAON-BEFAXECRSA-N 2 1 362.474 0.611 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474416286 489761127 /nfs/dbraw/zinc/76/11/27/489761127.db2.gz WANDZHQRYLKKJH-UYSNPLJNSA-N 2 1 351.495 0.642 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649014 489761545 /nfs/dbraw/zinc/76/15/45/489761545.db2.gz RSFCUIPRRBINHA-DOMZBBRYSA-N 2 1 354.476 0.864 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649014 489761550 /nfs/dbraw/zinc/76/15/50/489761550.db2.gz RSFCUIPRRBINHA-DOMZBBRYSA-N 2 1 354.476 0.864 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000418860227 489761614 /nfs/dbraw/zinc/76/16/14/489761614.db2.gz LTILQQZVQOFQGK-FGTMMUONSA-N 2 1 374.485 0.342 20 0 FCADMP O=C([C@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647431 489762082 /nfs/dbraw/zinc/76/20/82/489762082.db2.gz XWGGGBSZWIIPES-QWHCGFSZSA-N 2 1 362.396 0.293 20 0 FCADMP O=C([C@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647431 489762086 /nfs/dbraw/zinc/76/20/86/489762086.db2.gz XWGGGBSZWIIPES-QWHCGFSZSA-N 2 1 362.396 0.293 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418860673 489762305 /nfs/dbraw/zinc/76/23/05/489762305.db2.gz MALUNBIVTNGMCT-XLIONFOSSA-N 2 1 356.470 0.589 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418863224 489763656 /nfs/dbraw/zinc/76/36/56/489763656.db2.gz PCJMFUXRKIFFFR-MKXGPGLRSA-N 2 1 370.497 0.881 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418865512 489764349 /nfs/dbraw/zinc/76/43/49/489764349.db2.gz MJNGIHFJIWZRLS-HRCADAONSA-N 2 1 350.507 0.681 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418867949 489765792 /nfs/dbraw/zinc/76/57/92/489765792.db2.gz VHWJTGKJOCLCOA-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418870619 489768123 /nfs/dbraw/zinc/76/81/23/489768123.db2.gz YKRKWHVODRSYTJ-XIRDDKMYSA-N 2 1 374.485 0.606 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418877449 489771546 /nfs/dbraw/zinc/77/15/46/489771546.db2.gz IYEKTAUQENFMGN-OWCLPIDISA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883637 489774483 /nfs/dbraw/zinc/77/44/83/489774483.db2.gz VLBFRVVBSRLBLJ-RDJZCZTQSA-N 2 1 368.522 0.627 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000430914195 489776045 /nfs/dbraw/zinc/77/60/45/489776045.db2.gz IEZLFIFJUOKULL-GOSISDBHSA-N 2 1 362.474 0.708 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1C ZINC000430932888 489778813 /nfs/dbraw/zinc/77/88/13/489778813.db2.gz GSKVBYZWPYYDGC-CYBMUJFWSA-N 2 1 368.503 0.901 20 0 FCADMP C[C@]1(n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2)CCS(=O)(=O)C1 ZINC000430947469 489780732 /nfs/dbraw/zinc/78/07/32/489780732.db2.gz BCYNSSNKNLOYJV-INIZCTEOSA-N 2 1 352.504 0.992 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000430944679 489780808 /nfs/dbraw/zinc/78/08/08/489780808.db2.gz NLWLFHBDXJHOMQ-UHFFFAOYSA-N 2 1 368.503 0.807 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894670 489783708 /nfs/dbraw/zinc/78/37/08/489783708.db2.gz IRJXHCQFHHXCQF-RBUKOAKNSA-N 2 1 372.513 0.987 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000431004139 489783996 /nfs/dbraw/zinc/78/39/96/489783996.db2.gz IDPXGAFBHYJEBO-MSOLQXFVSA-N 2 1 368.522 0.008 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000431004141 489784615 /nfs/dbraw/zinc/78/46/15/489784615.db2.gz IDPXGAFBHYJEBO-ROUUACIJSA-N 2 1 368.522 0.008 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916672 489790239 /nfs/dbraw/zinc/79/02/39/489790239.db2.gz XGRCXOACJTXUQR-WFASDCNBSA-N 2 1 370.856 0.924 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000459917929 489792341 /nfs/dbraw/zinc/79/23/41/489792341.db2.gz KHXDBWSTICVVTE-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418930478 489793746 /nfs/dbraw/zinc/79/37/46/489793746.db2.gz XXEZHWNSFGURBH-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000418928702 489794199 /nfs/dbraw/zinc/79/41/99/489794199.db2.gz VICNXHDWNJFFAA-VVLHAWIVSA-N 2 1 366.506 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000418933348 489795376 /nfs/dbraw/zinc/79/53/76/489795376.db2.gz ZTNRSLHKACNFRX-CVEARBPZSA-N 2 1 356.511 0.291 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298274 489799877 /nfs/dbraw/zinc/79/98/77/489799877.db2.gz TVYYDTYQQSAQBA-NVXWUHKLSA-N 2 1 365.522 0.761 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459997187 489812949 /nfs/dbraw/zinc/81/29/49/489812949.db2.gz SIZNQBWBISPAKX-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000419008210 489816140 /nfs/dbraw/zinc/81/61/40/489816140.db2.gz VFMGZXYTBMMRFZ-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419023064 489821726 /nfs/dbraw/zinc/82/17/26/489821726.db2.gz IZFHBDGRLQBCBZ-ZVDSWSACSA-N 2 1 368.522 0.698 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023859 489822247 /nfs/dbraw/zinc/82/22/47/489822247.db2.gz KASPDQOFQNPGTE-JKSUJKDBSA-N 2 1 368.522 0.579 20 0 FCADMP CC[N@@H+](CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1CC1 ZINC000431920040 489823100 /nfs/dbraw/zinc/82/31/00/489823100.db2.gz SABHMHRNVBVNMM-UHFFFAOYSA-N 2 1 353.511 0.762 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000460031585 489824331 /nfs/dbraw/zinc/82/43/31/489824331.db2.gz PNRTVECIMAKUDF-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@H](C)C1 ZINC000419035983 489828638 /nfs/dbraw/zinc/82/86/38/489828638.db2.gz FWIDTGMRYJQPTB-QZWWFDLISA-N 2 1 368.522 0.435 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419046337 489833255 /nfs/dbraw/zinc/83/32/55/489833255.db2.gz PRDZBCMMBVANLY-PVAVHDDUSA-N 2 1 360.458 0.043 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419060752 489839335 /nfs/dbraw/zinc/83/93/35/489839335.db2.gz FNJVVBHPCQRJSJ-RBSFLKMASA-N 2 1 356.511 0.480 20 0 FCADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000419065491 489841926 /nfs/dbraw/zinc/84/19/26/489841926.db2.gz ADNLKHJANXOIBE-MSOLQXFVSA-N 2 1 374.485 0.467 20 0 FCADMP CCC[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)S(N)(=O)=O ZINC000667812307 493302907 /nfs/dbraw/zinc/30/29/07/493302907.db2.gz JFJWZLMGCQEAGE-LSDHHAIUSA-N 2 1 362.540 0.318 20 0 FCADMP CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000460076086 489844036 /nfs/dbraw/zinc/84/40/36/489844036.db2.gz CTJBUBIRHZILLB-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000460084189 489847140 /nfs/dbraw/zinc/84/71/40/489847140.db2.gz UENKCJOGAZCAFA-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084189 489847144 /nfs/dbraw/zinc/84/71/44/489847144.db2.gz UENKCJOGAZCAFA-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000460084189 489847148 /nfs/dbraw/zinc/84/71/48/489847148.db2.gz UENKCJOGAZCAFA-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419081540 489849448 /nfs/dbraw/zinc/84/94/48/489849448.db2.gz ICHQVDZTJZIUQA-QLFBSQMISA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419081540 489849451 /nfs/dbraw/zinc/84/94/51/489849451.db2.gz ICHQVDZTJZIUQA-QLFBSQMISA-N 2 1 354.495 0.330 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419085779 489850330 /nfs/dbraw/zinc/85/03/30/489850330.db2.gz MUUNKCJTVCJXIU-GJZGRUSLSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419087299 489851226 /nfs/dbraw/zinc/85/12/26/489851226.db2.gz PFAHMJPKGFGZCL-ZNMIVQPWSA-N 2 1 354.495 0.201 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419087299 489851229 /nfs/dbraw/zinc/85/12/29/489851229.db2.gz PFAHMJPKGFGZCL-ZNMIVQPWSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000419090251 489852436 /nfs/dbraw/zinc/85/24/36/489852436.db2.gz UUSQIVHWAISXOL-GJZGRUSLSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000419092349 489853743 /nfs/dbraw/zinc/85/37/43/489853743.db2.gz XCXSYWGCSBJUGQ-XHSDSOJGSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000419092349 489853746 /nfs/dbraw/zinc/85/37/46/489853746.db2.gz XCXSYWGCSBJUGQ-XHSDSOJGSA-N 2 1 368.522 0.578 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)[nH+]c1 ZINC000419097859 489853886 /nfs/dbraw/zinc/85/38/86/489853886.db2.gz NNWBAAOFJXPHOB-UHFFFAOYSA-N 2 1 369.469 1.296 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000460234328 489856763 /nfs/dbraw/zinc/85/67/63/489856763.db2.gz WZQYDTVHAUYMGH-HKUYNNGSSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000460234328 489856766 /nfs/dbraw/zinc/85/67/66/489856766.db2.gz WZQYDTVHAUYMGH-HKUYNNGSSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000460234328 489856771 /nfs/dbraw/zinc/85/67/71/489856771.db2.gz WZQYDTVHAUYMGH-HKUYNNGSSA-N 2 1 362.474 0.119 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000460233997 489856903 /nfs/dbraw/zinc/85/69/03/489856903.db2.gz DVCVTJHLIIJUJZ-SJLPKXTDSA-N 2 1 356.511 0.489 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[nH+]c1 ZINC000419106354 489857251 /nfs/dbraw/zinc/85/72/51/489857251.db2.gz WBNAMZGZBUAHBF-HNNXBMFYSA-N 2 1 361.490 1.203 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000419111535 489859857 /nfs/dbraw/zinc/85/98/57/489859857.db2.gz DKCQFDGVPVBPPJ-OFLPRAFFSA-N 2 1 368.522 0.626 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000419114092 489860589 /nfs/dbraw/zinc/86/05/89/489860589.db2.gz HTBJHQNFOAQLTI-VYDXJSESSA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000419114091 489860680 /nfs/dbraw/zinc/86/06/80/489860680.db2.gz HTBJHQNFOAQLTI-UXLLHSPISA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419115560 489861664 /nfs/dbraw/zinc/86/16/64/489861664.db2.gz JXBQBFSKFWHAOS-GOEBONIOSA-N 2 1 354.495 0.047 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419123184 489867480 /nfs/dbraw/zinc/86/74/80/489867480.db2.gz VHSSVFDBVKMIDT-PVAVHDDUSA-N 2 1 368.522 0.435 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000419125554 489868860 /nfs/dbraw/zinc/86/88/60/489868860.db2.gz KAUKLOLDEQWLLK-ZACQAIPSSA-N 2 1 367.538 0.103 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420014 489882130 /nfs/dbraw/zinc/88/21/30/489882130.db2.gz ILQLPKDNXZBLAU-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420060789 489897526 /nfs/dbraw/zinc/89/75/26/489897526.db2.gz KUJYZFSTJCSRKU-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000420064596 489899931 /nfs/dbraw/zinc/89/99/31/489899931.db2.gz OUOIKUHSKIYRIL-BBWFWOEESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000420064596 489899934 /nfs/dbraw/zinc/89/99/34/489899934.db2.gz OUOIKUHSKIYRIL-BBWFWOEESA-N 2 1 368.522 0.579 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069811 489902295 /nfs/dbraw/zinc/90/22/95/489902295.db2.gz WBBBYJGVCMBMPF-KSZLIROESA-N 2 1 356.470 0.430 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420079270 489904399 /nfs/dbraw/zinc/90/43/99/489904399.db2.gz HFSCBRMTVFQOPG-BZUAXINKSA-N 2 1 368.522 0.720 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)NCCC[NH+]1CCN(C)CC1)n2C ZINC000476651437 489907076 /nfs/dbraw/zinc/90/70/76/489907076.db2.gz HYIHWTMZWXKHNJ-UHFFFAOYSA-N 2 1 359.478 0.402 20 0 FCADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000461381443 489907373 /nfs/dbraw/zinc/90/73/73/489907373.db2.gz NLCFJMNIPIUKPG-PMACEKPBSA-N 2 1 364.486 0.853 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420092229 489909758 /nfs/dbraw/zinc/90/97/58/489909758.db2.gz HMJYXOUPGNUXGQ-CQSZACIVSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107353 489914552 /nfs/dbraw/zinc/91/45/52/489914552.db2.gz VZLKVVMDGDPWTJ-CQSZACIVSA-N 2 1 374.485 0.210 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107353 489914558 /nfs/dbraw/zinc/91/45/58/489914558.db2.gz VZLKVVMDGDPWTJ-CQSZACIVSA-N 2 1 374.485 0.210 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420111947 489916232 /nfs/dbraw/zinc/91/62/32/489916232.db2.gz XFNUQVYYVHGLLN-QFBILLFUSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420111947 489916235 /nfs/dbraw/zinc/91/62/35/489916235.db2.gz XFNUQVYYVHGLLN-QFBILLFUSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420112615 489916728 /nfs/dbraw/zinc/91/67/28/489916728.db2.gz XQBQFRXIXQZWOF-DAYGRLMNSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420118466 489918334 /nfs/dbraw/zinc/91/83/34/489918334.db2.gz MQIFBKJZMABKBG-SJLPKXTDSA-N 2 1 358.486 0.488 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000420128494 489922659 /nfs/dbraw/zinc/92/26/59/489922659.db2.gz URCWGIWDPMGJSX-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000420128494 489922665 /nfs/dbraw/zinc/92/26/65/489922665.db2.gz URCWGIWDPMGJSX-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)CC2)N1 ZINC000564117762 491289474 /nfs/dbraw/zinc/28/94/74/491289474.db2.gz MNMMDVWBKDDPHD-GNZRSQJKSA-N 2 1 372.469 0.864 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420170605 489938965 /nfs/dbraw/zinc/93/89/65/489938965.db2.gz XOPPZPNXEDEZDR-UHFFFAOYSA-N 2 1 370.497 0.799 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186416 489945349 /nfs/dbraw/zinc/94/53/49/489945349.db2.gz CLGXPVAPIOZYBA-AKHDSKFASA-N 2 1 370.497 0.820 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000420188243 489945667 /nfs/dbraw/zinc/94/56/67/489945667.db2.gz SNXVOFGOZSMIKY-UHFFFAOYSA-N 2 1 364.446 0.112 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377755031 489953020 /nfs/dbraw/zinc/95/30/20/489953020.db2.gz ANQLXNRHZWIENZ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000462125671 489959561 /nfs/dbraw/zinc/95/95/61/489959561.db2.gz AMBPDPBYLNMGKD-UHFFFAOYSA-N 2 1 355.527 0.914 20 0 FCADMP Cc1cccc2nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000420320204 489962614 /nfs/dbraw/zinc/96/26/14/489962614.db2.gz YNRPMUZLRSRPQV-INIZCTEOSA-N 2 1 357.458 0.822 20 0 FCADMP Cc1cccc2nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000420320204 489962618 /nfs/dbraw/zinc/96/26/18/489962618.db2.gz YNRPMUZLRSRPQV-INIZCTEOSA-N 2 1 357.458 0.822 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324987 489963719 /nfs/dbraw/zinc/96/37/19/489963719.db2.gz HTJRGYGJPSGYBR-YQVWRLOYSA-N 2 1 358.486 0.911 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867509 489964155 /nfs/dbraw/zinc/96/41/55/489964155.db2.gz FDILKAKBEJKWEW-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347541 489965286 /nfs/dbraw/zinc/96/52/86/489965286.db2.gz HHALSBSWUHXROT-KRWDZBQOSA-N 2 1 360.458 0.781 20 0 FCADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347541 489965288 /nfs/dbraw/zinc/96/52/88/489965288.db2.gz HHALSBSWUHXROT-KRWDZBQOSA-N 2 1 360.458 0.781 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000420348065 489965747 /nfs/dbraw/zinc/96/57/47/489965747.db2.gz JJDPNKGGWQSXJG-OALUTQOASA-N 2 1 360.502 0.294 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000420346874 489965813 /nfs/dbraw/zinc/96/58/13/489965813.db2.gz DXEMDIZDXGJVSO-AWEZNQCLSA-N 2 1 352.429 0.603 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000420346874 489965815 /nfs/dbraw/zinc/96/58/15/489965815.db2.gz DXEMDIZDXGJVSO-AWEZNQCLSA-N 2 1 352.429 0.603 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCc1ccc(OC(F)F)cc1 ZINC000420351617 489966670 /nfs/dbraw/zinc/96/66/70/489966670.db2.gz XQRAZJCNDVWJBZ-OAHLLOKOSA-N 2 1 368.428 0.884 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCc1ccc(OC(F)F)cc1 ZINC000420351617 489966673 /nfs/dbraw/zinc/96/66/73/489966673.db2.gz XQRAZJCNDVWJBZ-OAHLLOKOSA-N 2 1 368.428 0.884 20 0 FCADMP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349270 489966932 /nfs/dbraw/zinc/96/69/32/489966932.db2.gz OHTCLWGNUGFTGJ-GOSISDBHSA-N 2 1 360.502 0.860 20 0 FCADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349270 489966933 /nfs/dbraw/zinc/96/69/33/489966933.db2.gz OHTCLWGNUGFTGJ-GOSISDBHSA-N 2 1 360.502 0.860 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380425 489969761 /nfs/dbraw/zinc/96/97/61/489969761.db2.gz OCUWLXOAMMHFNV-QAPCUYQASA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420406306 489972747 /nfs/dbraw/zinc/97/27/47/489972747.db2.gz NMSUCMFCZCPYFY-STQMWFEESA-N 2 1 354.476 0.579 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477615629 489977470 /nfs/dbraw/zinc/97/74/70/489977470.db2.gz MGSYMNGTUXZSSM-NVXWUHKLSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477618006 489977615 /nfs/dbraw/zinc/97/76/15/489977615.db2.gz UDICLTZLEKHQPR-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000477618006 489977620 /nfs/dbraw/zinc/97/76/20/489977620.db2.gz UDICLTZLEKHQPR-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619962 489978260 /nfs/dbraw/zinc/97/82/60/489978260.db2.gz ZYXLPKLUDHOCLV-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000377929753 489982148 /nfs/dbraw/zinc/98/21/48/489982148.db2.gz AVMBLAIWRZADER-MRXNPFEDSA-N 2 1 359.474 0.521 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000571149413 491288229 /nfs/dbraw/zinc/28/82/29/491288229.db2.gz DFSZAQOWBBYROY-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571149413 491288236 /nfs/dbraw/zinc/28/82/36/491288236.db2.gz DFSZAQOWBBYROY-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477874187 489994821 /nfs/dbraw/zinc/99/48/21/489994821.db2.gz FSLGVJKOZZPRIO-QZWWFDLISA-N 2 1 356.511 0.582 20 0 FCADMP Cn1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435373849 490000594 /nfs/dbraw/zinc/00/05/94/490000594.db2.gz VTTRQAZYARYONI-QGZVFWFLSA-N 2 1 357.458 0.623 20 0 FCADMP Cn1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000435373849 490000599 /nfs/dbraw/zinc/00/05/99/490000599.db2.gz VTTRQAZYARYONI-QGZVFWFLSA-N 2 1 357.458 0.623 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478017792 490000665 /nfs/dbraw/zinc/00/06/65/490000665.db2.gz OKKJKCMDLNYBKW-QZTJIDSGSA-N 3 1 352.523 0.364 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000463080921 490001279 /nfs/dbraw/zinc/00/12/79/490001279.db2.gz AOSHDSPSMNSBLZ-LJQANCHMSA-N 2 1 354.539 0.436 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@@H+]3CCCOCC3)CC2)C1 ZINC000463080921 490001281 /nfs/dbraw/zinc/00/12/81/490001281.db2.gz AOSHDSPSMNSBLZ-LJQANCHMSA-N 2 1 354.539 0.436 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@H+]3CCCOCC3)CC2)C1 ZINC000463080921 490001285 /nfs/dbraw/zinc/00/12/85/490001285.db2.gz AOSHDSPSMNSBLZ-LJQANCHMSA-N 2 1 354.539 0.436 20 0 FCADMP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000478067476 490003973 /nfs/dbraw/zinc/00/39/73/490003973.db2.gz ZIZPWHZGXPCQBA-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000564208002 491294081 /nfs/dbraw/zinc/29/40/81/491294081.db2.gz LLXSBQCJRGNTDO-GXTWGEPZSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000564208002 491294082 /nfs/dbraw/zinc/29/40/82/491294082.db2.gz LLXSBQCJRGNTDO-GXTWGEPZSA-N 2 1 350.488 0.479 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000420770808 490021614 /nfs/dbraw/zinc/02/16/14/490021614.db2.gz QUNHNAWPFZTOSQ-LSDHHAIUSA-N 2 1 350.463 0.940 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000420770808 490021615 /nfs/dbraw/zinc/02/16/15/490021615.db2.gz QUNHNAWPFZTOSQ-LSDHHAIUSA-N 2 1 350.463 0.940 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)C1 ZINC000478794105 490037752 /nfs/dbraw/zinc/03/77/52/490037752.db2.gz HGYZPKYFMUDJLO-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000556113777 491295997 /nfs/dbraw/zinc/29/59/97/491295997.db2.gz VQMXDCPWHVSEFU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000556113777 491296000 /nfs/dbraw/zinc/29/60/00/491296000.db2.gz VQMXDCPWHVSEFU-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378422709 490062267 /nfs/dbraw/zinc/06/22/67/490062267.db2.gz AGHSHQKLDMMQCQ-SFHVURJKSA-N 2 1 364.486 0.894 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202477 490074439 /nfs/dbraw/zinc/07/44/39/490074439.db2.gz QMJSEAFCDAZVRE-ZBFHGGJFSA-N 2 1 350.438 0.572 20 0 FCADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000495669739 490086318 /nfs/dbraw/zinc/08/63/18/490086318.db2.gz PBUGYNOSGFYUAJ-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148214 490104802 /nfs/dbraw/zinc/10/48/02/490104802.db2.gz OFOIDWBNBNMNDE-SJORKVTESA-N 2 1 351.470 0.973 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148212 490105175 /nfs/dbraw/zinc/10/51/75/490105175.db2.gz OFOIDWBNBNMNDE-IAGOWNOFSA-N 2 1 351.470 0.973 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000556169750 491300036 /nfs/dbraw/zinc/30/00/36/491300036.db2.gz BURVAQKGXGUQLS-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000556169750 491300039 /nfs/dbraw/zinc/30/00/39/491300039.db2.gz BURVAQKGXGUQLS-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000520216893 490117044 /nfs/dbraw/zinc/11/70/44/490117044.db2.gz TULHLNIUYZLRTA-ROUUACIJSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000520216893 490117047 /nfs/dbraw/zinc/11/70/47/490117047.db2.gz TULHLNIUYZLRTA-ROUUACIJSA-N 2 1 358.486 0.569 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1=O ZINC000422012808 490126116 /nfs/dbraw/zinc/12/61/16/490126116.db2.gz CJCMUQZBIPCLSQ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000422012808 490126120 /nfs/dbraw/zinc/12/61/20/490126120.db2.gz CJCMUQZBIPCLSQ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1=O ZINC000422012808 490126127 /nfs/dbraw/zinc/12/61/27/490126127.db2.gz CJCMUQZBIPCLSQ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000422023511 490127593 /nfs/dbraw/zinc/12/75/93/490127593.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 2 1 363.550 0.395 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000465852909 490146811 /nfs/dbraw/zinc/14/68/11/490146811.db2.gz XTRXHPDICZKTMQ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000465852909 490146822 /nfs/dbraw/zinc/14/68/22/490146822.db2.gz XTRXHPDICZKTMQ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000465852909 490146835 /nfs/dbraw/zinc/14/68/35/490146835.db2.gz XTRXHPDICZKTMQ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000465863635 490149195 /nfs/dbraw/zinc/14/91/95/490149195.db2.gz HAPWUGVFEMKQHH-GOEBONIOSA-N 2 1 353.511 0.711 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556205408 491302819 /nfs/dbraw/zinc/30/28/19/491302819.db2.gz OWICLGHWSSVPHA-RHSMWYFYSA-N 2 1 356.536 0.388 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000466033513 490159864 /nfs/dbraw/zinc/15/98/64/490159864.db2.gz LDWJCNNWGCVCLO-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000466233894 490171637 /nfs/dbraw/zinc/17/16/37/490171637.db2.gz FUNWMGFUOFRJHC-OIISXLGYSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000466233894 490171651 /nfs/dbraw/zinc/17/16/51/490171651.db2.gz FUNWMGFUOFRJHC-OIISXLGYSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000466233894 490171665 /nfs/dbraw/zinc/17/16/65/490171665.db2.gz FUNWMGFUOFRJHC-OIISXLGYSA-N 2 1 365.522 0.711 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000422120245 490172234 /nfs/dbraw/zinc/17/22/34/490172234.db2.gz PNQLFWCAAOZRHC-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120245 490172238 /nfs/dbraw/zinc/17/22/38/490172238.db2.gz PNQLFWCAAOZRHC-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466294431 490175567 /nfs/dbraw/zinc/17/55/67/490175567.db2.gz YYPBOHNAOXPUII-DLBZAZTESA-N 2 1 365.522 0.890 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000571418782 491306417 /nfs/dbraw/zinc/30/64/17/491306417.db2.gz NNJZABZOMPKREG-MOPGFXCFSA-N 2 1 359.518 0.848 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227668 490205019 /nfs/dbraw/zinc/20/50/19/490205019.db2.gz GTVSIXLAKWRBJJ-OAHLLOKOSA-N 2 1 353.511 0.700 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000507370120 490205769 /nfs/dbraw/zinc/20/57/69/490205769.db2.gz VTCMJIOLGHZBPF-UHFFFAOYSA-N 2 1 355.483 0.001 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000571430060 491307424 /nfs/dbraw/zinc/30/74/24/491307424.db2.gz ZJNCXSOQXDORNO-HOTGVXAUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794646 490212910 /nfs/dbraw/zinc/21/29/10/490212910.db2.gz XIHQXZTWXMUNIN-CKEIUWERSA-N 2 1 363.506 0.463 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000521038715 490216637 /nfs/dbraw/zinc/21/66/37/490216637.db2.gz HSGYGOMPHGHVBL-IXDOHACOSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000521076148 490222418 /nfs/dbraw/zinc/22/24/18/490222418.db2.gz JXFFFPCAGHTFHI-HNNXBMFYSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000521101966 490224625 /nfs/dbraw/zinc/22/46/25/490224625.db2.gz BNVPCKGBBJLDMT-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291852 490235374 /nfs/dbraw/zinc/23/53/74/490235374.db2.gz FMSHYZYQEVOHCW-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000422291852 490235376 /nfs/dbraw/zinc/23/53/76/490235376.db2.gz FMSHYZYQEVOHCW-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000422291852 490235380 /nfs/dbraw/zinc/23/53/80/490235380.db2.gz FMSHYZYQEVOHCW-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000521231483 490238556 /nfs/dbraw/zinc/23/85/56/490238556.db2.gz OJQFOTWZESBMSC-RDJZCZTQSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000521323717 490249612 /nfs/dbraw/zinc/24/96/12/490249612.db2.gz ITTUZAQRHYOKDP-KRWDZBQOSA-N 2 1 356.536 0.714 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000557382226 491371335 /nfs/dbraw/zinc/37/13/35/491371335.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 2 1 369.554 0.317 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557382226 491371336 /nfs/dbraw/zinc/37/13/36/491371336.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 2 1 369.554 0.317 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557382226 491371337 /nfs/dbraw/zinc/37/13/37/491371337.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 2 1 369.554 0.317 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000557382226 491371338 /nfs/dbraw/zinc/37/13/38/491371338.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 2 1 369.554 0.317 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000498088484 490259153 /nfs/dbraw/zinc/25/91/53/490259153.db2.gz KJLDMLZTZIRVOW-FAKMSMKASA-N 2 1 362.518 0.940 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000557382226 491371339 /nfs/dbraw/zinc/37/13/39/491371339.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 2 1 369.554 0.317 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363871 491312422 /nfs/dbraw/zinc/31/24/22/491312422.db2.gz PFEXHRSEBZDBNB-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000556363871 491312424 /nfs/dbraw/zinc/31/24/24/491312424.db2.gz PFEXHRSEBZDBNB-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000556363871 491312426 /nfs/dbraw/zinc/31/24/26/491312426.db2.gz PFEXHRSEBZDBNB-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000571521930 491312827 /nfs/dbraw/zinc/31/28/27/491312827.db2.gz FYCHUQKXBYISBX-APWZRJJASA-N 2 1 368.522 0.579 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCCC1 ZINC000556372807 491313062 /nfs/dbraw/zinc/31/30/62/491313062.db2.gz YRIAYAQYLNYOEC-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)CC1 ZINC000498194690 490269490 /nfs/dbraw/zinc/26/94/90/490269490.db2.gz GIAJRBKHZABOMD-AWEZNQCLSA-N 2 1 360.449 0.762 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000521515896 490271460 /nfs/dbraw/zinc/27/14/60/490271460.db2.gz KPCKGZSUEPHWHS-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000521515896 490271464 /nfs/dbraw/zinc/27/14/64/490271464.db2.gz KPCKGZSUEPHWHS-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000564573805 491314725 /nfs/dbraw/zinc/31/47/25/491314725.db2.gz JXTIKPNXOZGGBN-HNNXBMFYSA-N 2 1 355.527 0.957 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000422399757 490298601 /nfs/dbraw/zinc/29/86/01/490298601.db2.gz AKZIHHRIVDONHK-OAHLLOKOSA-N 2 1 350.438 0.714 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447959895 490305216 /nfs/dbraw/zinc/30/52/16/490305216.db2.gz UOGXMIQXITVCDR-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447959895 490305218 /nfs/dbraw/zinc/30/52/18/490305218.db2.gz UOGXMIQXITVCDR-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000447979828 490306433 /nfs/dbraw/zinc/30/64/33/490306433.db2.gz BKSOOORWDCORTP-HOTGVXAUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979828 490306435 /nfs/dbraw/zinc/30/64/35/490306435.db2.gz BKSOOORWDCORTP-HOTGVXAUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979828 490306438 /nfs/dbraw/zinc/30/64/38/490306438.db2.gz BKSOOORWDCORTP-HOTGVXAUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000483423208 490316608 /nfs/dbraw/zinc/31/66/08/490316608.db2.gz XXXAAOWJVMESBP-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498619654 490318810 /nfs/dbraw/zinc/31/88/10/490318810.db2.gz URAGNQIEAUUVKS-IAGOWNOFSA-N 2 1 370.538 0.972 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498619655 490319223 /nfs/dbraw/zinc/31/92/23/490319223.db2.gz URAGNQIEAUUVKS-IRXDYDNUSA-N 2 1 370.538 0.972 20 0 FCADMP C[NH+]1CCC(C)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000508459984 490331968 /nfs/dbraw/zinc/33/19/68/490331968.db2.gz WVMDTQBQZHCHTO-OAHLLOKOSA-N 2 1 353.511 0.605 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)CC[C@@H]2C)CC1=O ZINC000498725945 490332452 /nfs/dbraw/zinc/33/24/52/490332452.db2.gz KTZRZPPJPYXVJH-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1=O ZINC000498725945 490332459 /nfs/dbraw/zinc/33/24/59/490332459.db2.gz KTZRZPPJPYXVJH-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1=O ZINC000498725945 490332466 /nfs/dbraw/zinc/33/24/66/490332466.db2.gz KTZRZPPJPYXVJH-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422458159 490333594 /nfs/dbraw/zinc/33/35/94/490333594.db2.gz VIKSDTGIPUZHOF-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422458159 490333605 /nfs/dbraw/zinc/33/36/05/490333605.db2.gz VIKSDTGIPUZHOF-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422458159 490333610 /nfs/dbraw/zinc/33/36/10/490333610.db2.gz VIKSDTGIPUZHOF-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422458159 490333616 /nfs/dbraw/zinc/33/36/16/490333616.db2.gz VIKSDTGIPUZHOF-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000422485670 490351673 /nfs/dbraw/zinc/35/16/73/490351673.db2.gz FJABGSRVZFQFHZ-DLBZAZTESA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000422487645 490352903 /nfs/dbraw/zinc/35/29/03/490352903.db2.gz INEUKYIALHHEFX-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422487645 490352911 /nfs/dbraw/zinc/35/29/11/490352911.db2.gz INEUKYIALHHEFX-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422487645 490352921 /nfs/dbraw/zinc/35/29/21/490352921.db2.gz INEUKYIALHHEFX-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000522207016 490355211 /nfs/dbraw/zinc/35/52/11/490355211.db2.gz JQPZLZYFJPMEPX-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000522207016 490355215 /nfs/dbraw/zinc/35/52/15/490355215.db2.gz JQPZLZYFJPMEPX-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000564686853 491320470 /nfs/dbraw/zinc/32/04/70/491320470.db2.gz JOHMPBQKRYIFHL-OAGGEKHMSA-N 2 1 366.506 0.369 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000522309426 490371010 /nfs/dbraw/zinc/37/10/10/490371010.db2.gz NCUGTBZCLNSMNQ-ZBFHGGJFSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522309426 490371017 /nfs/dbraw/zinc/37/10/17/490371017.db2.gz NCUGTBZCLNSMNQ-ZBFHGGJFSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522309426 490371028 /nfs/dbraw/zinc/37/10/28/490371028.db2.gz NCUGTBZCLNSMNQ-ZBFHGGJFSA-N 2 1 351.495 0.465 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410993830 490377582 /nfs/dbraw/zinc/37/75/82/490377582.db2.gz ZEZSLOLMPTXESF-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410993830 490377590 /nfs/dbraw/zinc/37/75/90/490377590.db2.gz ZEZSLOLMPTXESF-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410993830 490377600 /nfs/dbraw/zinc/37/76/00/490377600.db2.gz ZEZSLOLMPTXESF-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1C[NH+](C)C ZINC000411118105 490389639 /nfs/dbraw/zinc/38/96/39/490389639.db2.gz DHYCQIGXQSMVBS-UHFFFAOYSA-N 2 1 362.474 0.834 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571708837 491324263 /nfs/dbraw/zinc/32/42/63/491324263.db2.gz QKSBKVRFWVEUQK-HNNXBMFYSA-N 2 1 356.511 0.260 20 0 FCADMP CN1CCO[C@@H](C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000468484206 490409041 /nfs/dbraw/zinc/40/90/41/490409041.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 1 360.502 0.812 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000556642922 491325055 /nfs/dbraw/zinc/32/50/55/491325055.db2.gz ZAHZVISXZOSDHM-OAHLLOKOSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706651 490425550 /nfs/dbraw/zinc/42/55/50/490425550.db2.gz OAGCWESUNYXMEX-XHSDSOJGSA-N 2 1 350.507 0.824 20 0 FCADMP CC1[C@@H](C(=O)N2CC[NH+](C)CC[C@H]2C)[C@@H]1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000449856342 490431815 /nfs/dbraw/zinc/43/18/15/490431815.db2.gz MWYKHQLWGGBHBY-JOCBIADPSA-N 2 1 364.534 0.974 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000571744855 491325928 /nfs/dbraw/zinc/32/59/28/491325928.db2.gz IUGQCMBHCKOYJY-GOSISDBHSA-N 2 1 373.501 0.968 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422631752 490434937 /nfs/dbraw/zinc/43/49/37/490434937.db2.gz FVTJYDSKXDBGSM-IIAWOOMASA-N 2 1 362.474 0.472 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422631752 490434950 /nfs/dbraw/zinc/43/49/50/490434950.db2.gz FVTJYDSKXDBGSM-IIAWOOMASA-N 2 1 362.474 0.472 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000509705719 490453955 /nfs/dbraw/zinc/45/39/55/490453955.db2.gz HTRVIBOKSQACOR-QGZVFWFLSA-N 2 1 368.522 0.261 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000509723493 490455259 /nfs/dbraw/zinc/45/52/59/490455259.db2.gz YBHRMUDNZLLSCE-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000509721000 490456865 /nfs/dbraw/zinc/45/68/65/490456865.db2.gz LWWNFBGBFMEOIY-HNNXBMFYSA-N 2 1 356.511 0.260 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000484705168 490457102 /nfs/dbraw/zinc/45/71/02/490457102.db2.gz SMZOBQHBHLWJAV-HOTGVXAUSA-N 2 1 353.511 0.522 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703485 490457352 /nfs/dbraw/zinc/45/73/52/490457352.db2.gz FMXSQEBYXSJOPE-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703485 490457362 /nfs/dbraw/zinc/45/73/62/490457362.db2.gz FMXSQEBYXSJOPE-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703485 490457367 /nfs/dbraw/zinc/45/73/67/490457367.db2.gz FMXSQEBYXSJOPE-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909474 490476709 /nfs/dbraw/zinc/47/67/09/490476709.db2.gz SPRCSQBPUANTDF-DZGCQCFKSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484912544 490476925 /nfs/dbraw/zinc/47/69/25/490476925.db2.gz FMIUPDJOYNIOIB-KCQAQPDRSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484912544 490476934 /nfs/dbraw/zinc/47/69/34/490476934.db2.gz FMIUPDJOYNIOIB-KCQAQPDRSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000523662556 490483464 /nfs/dbraw/zinc/48/34/64/490483464.db2.gz LCUAHOKNDUGLQI-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000523662556 490483467 /nfs/dbraw/zinc/48/34/67/490483467.db2.gz LCUAHOKNDUGLQI-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025388 490523036 /nfs/dbraw/zinc/52/30/36/490523036.db2.gz LRBADIKGYDSGRS-NEWSRXKRSA-N 2 1 362.518 0.632 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423032255 490525041 /nfs/dbraw/zinc/52/50/41/490525041.db2.gz FDORSAOXPPPGAW-OALUTQOASA-N 2 1 370.497 0.441 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396508 490528025 /nfs/dbraw/zinc/52/80/25/490528025.db2.gz LYCRWIWBRLHUNO-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396508 490528030 /nfs/dbraw/zinc/52/80/30/490528030.db2.gz LYCRWIWBRLHUNO-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396508 490528034 /nfs/dbraw/zinc/52/80/34/490528034.db2.gz LYCRWIWBRLHUNO-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423058244 490531660 /nfs/dbraw/zinc/53/16/60/490531660.db2.gz JAKLCZGLEUBHDS-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423055546 490531984 /nfs/dbraw/zinc/53/19/84/490531984.db2.gz DDYZQNAPINWTQD-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000485537469 490539604 /nfs/dbraw/zinc/53/96/04/490539604.db2.gz QKJSEGVDDPXGRV-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485558355 490542741 /nfs/dbraw/zinc/54/27/41/490542741.db2.gz BVMHNBRECQCMKW-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558355 490542748 /nfs/dbraw/zinc/54/27/48/490542748.db2.gz BVMHNBRECQCMKW-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558355 490542751 /nfs/dbraw/zinc/54/27/51/490542751.db2.gz BVMHNBRECQCMKW-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000511233368 490572398 /nfs/dbraw/zinc/57/23/98/490572398.db2.gz XQILAICNTYWSKW-QGZVFWFLSA-N 2 1 367.538 0.326 20 0 FCADMP C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C1=CC[N@H+](C)CC1 ZINC000511233368 490572399 /nfs/dbraw/zinc/57/23/99/490572399.db2.gz XQILAICNTYWSKW-QGZVFWFLSA-N 2 1 367.538 0.326 20 0 FCADMP C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000511233368 490572402 /nfs/dbraw/zinc/57/24/02/490572402.db2.gz XQILAICNTYWSKW-QGZVFWFLSA-N 2 1 367.538 0.326 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000571908237 491337075 /nfs/dbraw/zinc/33/70/75/491337075.db2.gz XEPJPRCCMHLLRK-MRXNPFEDSA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000501112844 490579947 /nfs/dbraw/zinc/57/99/47/490579947.db2.gz RAGAZRJOVGRLMK-KRWDZBQOSA-N 2 1 360.568 0.806 20 0 FCADMP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538259 490589487 /nfs/dbraw/zinc/58/94/87/490589487.db2.gz BSGVIAFYRLQGQO-PMACEKPBSA-N 2 1 371.529 0.481 20 0 FCADMP C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c2ccccc2)CC1 ZINC000536538260 490589544 /nfs/dbraw/zinc/58/95/44/490589544.db2.gz BSGVIAFYRLQGQO-UXHICEINSA-N 2 1 371.529 0.481 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000549985689 490617947 /nfs/dbraw/zinc/61/79/47/490617947.db2.gz MFDBRBPZMSZTSZ-HOCLYGCPSA-N 2 1 362.474 0.577 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550014671 490618796 /nfs/dbraw/zinc/61/87/96/490618796.db2.gz CBVCJFHBFBUDGI-IAGOWNOFSA-N 2 1 356.470 0.730 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550014671 490618804 /nfs/dbraw/zinc/61/88/04/490618804.db2.gz CBVCJFHBFBUDGI-IAGOWNOFSA-N 2 1 356.470 0.730 20 0 FCADMP CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCOC ZINC000501600106 490621416 /nfs/dbraw/zinc/62/14/16/490621416.db2.gz GIZIKYRRDZLSMY-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933450 490625273 /nfs/dbraw/zinc/62/52/73/490625273.db2.gz ZAWQRLUKCOHMRO-GASCZTMLSA-N 2 1 370.494 0.422 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933450 490625277 /nfs/dbraw/zinc/62/52/77/490625277.db2.gz ZAWQRLUKCOHMRO-GASCZTMLSA-N 2 1 370.494 0.422 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635161 490628009 /nfs/dbraw/zinc/62/80/09/490628009.db2.gz FTTRTQVHPIDRSM-JKSUJKDBSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645989 490631515 /nfs/dbraw/zinc/63/15/15/490631515.db2.gz MVKHMZJKRPNDNY-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564988326 491343738 /nfs/dbraw/zinc/34/37/38/491343738.db2.gz AZIZMYOLBDSVGC-JLZZUVOBSA-N 2 1 360.458 0.941 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)on1 ZINC000512239810 490666378 /nfs/dbraw/zinc/66/63/78/490666378.db2.gz GDAAAMNAJHHJSH-OAHLLOKOSA-N 2 1 353.467 0.290 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1)N1CC[NH2+]CC1 ZINC000564988446 491344102 /nfs/dbraw/zinc/34/41/02/491344102.db2.gz NFQMZOIDNZYJAF-MRXNPFEDSA-N 2 1 369.469 0.540 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@H]1C ZINC000487048834 490689538 /nfs/dbraw/zinc/68/95/38/490689538.db2.gz QPHDVEYUWUURSG-BPKGMFCQSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C ZINC000487048834 490689540 /nfs/dbraw/zinc/68/95/40/490689540.db2.gz QPHDVEYUWUURSG-BPKGMFCQSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C ZINC000487048834 490689543 /nfs/dbraw/zinc/68/95/43/490689543.db2.gz QPHDVEYUWUURSG-BPKGMFCQSA-N 2 1 350.507 0.441 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CCCC1 ZINC000512676726 490692609 /nfs/dbraw/zinc/69/26/09/490692609.db2.gz FNXMBDKYKJITOC-UHFFFAOYSA-N 2 1 369.554 0.550 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000512666943 490692726 /nfs/dbraw/zinc/69/27/26/490692726.db2.gz MYBUTJKDLLPNHE-ZWKOTPCHSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512666943 490692729 /nfs/dbraw/zinc/69/27/29/490692729.db2.gz MYBUTJKDLLPNHE-ZWKOTPCHSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000512666943 490692734 /nfs/dbraw/zinc/69/27/34/490692734.db2.gz MYBUTJKDLLPNHE-ZWKOTPCHSA-N 2 1 367.538 0.303 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000572068457 491346812 /nfs/dbraw/zinc/34/68/12/491346812.db2.gz XYSJYKXXYDKTTD-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556997137 491347443 /nfs/dbraw/zinc/34/74/43/491347443.db2.gz XRORHEZBJYSXCX-MRXNPFEDSA-N 2 1 374.485 0.596 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281404 490703589 /nfs/dbraw/zinc/70/35/89/490703589.db2.gz MYLHWAQSHORMBJ-ZQDZILKHSA-N 2 1 364.469 0.773 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281404 490703594 /nfs/dbraw/zinc/70/35/94/490703594.db2.gz MYLHWAQSHORMBJ-ZQDZILKHSA-N 2 1 364.469 0.773 20 0 FCADMP c1csc(-c2noc(CN3CC[NH+](CCN4CC[NH2+]CC4)CC3)n2)c1 ZINC000565046730 491348027 /nfs/dbraw/zinc/34/80/27/491348027.db2.gz QJSSFNZGPDTVDO-UHFFFAOYSA-N 2 1 362.503 0.821 20 0 FCADMP C[C@H]1CN(CCCNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C[C@H](C)O1 ZINC000502919417 490730051 /nfs/dbraw/zinc/73/00/51/490730051.db2.gz OVPPASWWLHXBDR-HOTGVXAUSA-N 2 1 364.494 0.736 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000488579134 490765673 /nfs/dbraw/zinc/76/56/73/490765673.db2.gz PPJCSHYINAZFNN-WDHIOAMHSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000488579134 490765676 /nfs/dbraw/zinc/76/56/76/490765676.db2.gz PPJCSHYINAZFNN-WDHIOAMHSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000488579134 490765679 /nfs/dbraw/zinc/76/56/79/490765679.db2.gz PPJCSHYINAZFNN-WDHIOAMHSA-N 2 1 364.534 0.737 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000539274553 490774193 /nfs/dbraw/zinc/77/41/93/490774193.db2.gz XVMNDKWUWXQAFF-AWEZNQCLSA-N 2 1 374.489 0.831 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000539274554 490774804 /nfs/dbraw/zinc/77/48/04/490774804.db2.gz XVMNDKWUWXQAFF-CQSZACIVSA-N 2 1 374.489 0.831 20 0 FCADMP CN(CCC[NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000514617621 490776131 /nfs/dbraw/zinc/77/61/31/490776131.db2.gz WIVGQKNPJUODSY-KRWDZBQOSA-N 2 1 361.490 0.874 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000488885076 490780007 /nfs/dbraw/zinc/78/00/07/490780007.db2.gz LCYLAYSVTINGIE-IBGZPJMESA-N 2 1 360.502 0.676 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000557132712 491356082 /nfs/dbraw/zinc/35/60/82/491356082.db2.gz CMTMQMYSNUKZBF-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP CN1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000557137528 491356374 /nfs/dbraw/zinc/35/63/74/491356374.db2.gz UKIUACHSWIBFMC-LJQANCHMSA-N 3 1 374.533 0.089 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000514951225 490799726 /nfs/dbraw/zinc/79/97/26/490799726.db2.gz LFCROGXRCBFSSE-CVEARBPZSA-N 2 1 351.495 0.594 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572226822 491356734 /nfs/dbraw/zinc/35/67/34/491356734.db2.gz DAUDXMFTZLVGJB-IEBWSBKVSA-N 2 1 374.533 0.481 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000540325340 490817298 /nfs/dbraw/zinc/81/72/98/490817298.db2.gz CTTSREDVARWDSK-PBHICJAKSA-N 2 1 372.535 0.703 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000540325340 490817300 /nfs/dbraw/zinc/81/73/00/490817300.db2.gz CTTSREDVARWDSK-PBHICJAKSA-N 2 1 372.535 0.703 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242944 491357800 /nfs/dbraw/zinc/35/78/00/491357800.db2.gz DOHTWDJSCHZMNB-MXSMSXNCSA-N 2 1 358.486 0.961 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000515400390 490824259 /nfs/dbraw/zinc/82/42/59/490824259.db2.gz KVGARZJXJMQGSO-UHFFFAOYSA-N 2 1 356.536 0.910 20 0 FCADMP CN(CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)CC[NH+](C)C ZINC000515400390 490824262 /nfs/dbraw/zinc/82/42/62/490824262.db2.gz KVGARZJXJMQGSO-UHFFFAOYSA-N 2 1 356.536 0.910 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619372 490833881 /nfs/dbraw/zinc/83/38/81/490833881.db2.gz ZDPIWWJFCADMCK-PKOBYXMFSA-N 2 1 374.533 0.481 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000557193860 491358823 /nfs/dbraw/zinc/35/88/23/491358823.db2.gz SAIOFCULGLVUHV-ZACQAIPSSA-N 3 1 355.527 0.408 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731131 490838070 /nfs/dbraw/zinc/83/80/70/490838070.db2.gz HVOYBFGNEFKJBA-HNNXBMFYSA-N 2 1 367.494 0.193 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783092 490839595 /nfs/dbraw/zinc/83/95/95/490839595.db2.gz ISBUYSDVJZSPHG-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783093 490839626 /nfs/dbraw/zinc/83/96/26/490839626.db2.gz ISBUYSDVJZSPHG-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872191 490842249 /nfs/dbraw/zinc/84/22/49/490842249.db2.gz VCJUAXOPWCUSIX-LAVFITLUSA-N 2 1 371.485 0.603 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301390 490849146 /nfs/dbraw/zinc/84/91/46/490849146.db2.gz YBMZSIOHQIVHTB-MAUKXSAKSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301390 490849150 /nfs/dbraw/zinc/84/91/50/490849150.db2.gz YBMZSIOHQIVHTB-MAUKXSAKSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@]1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC[NH2+]C1 ZINC000516294302 490859774 /nfs/dbraw/zinc/85/97/74/490859774.db2.gz UJTXPNVJSIYHOD-APWZRJJASA-N 2 1 366.506 0.206 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000565192362 491359083 /nfs/dbraw/zinc/35/90/83/491359083.db2.gz ZYJTWRYCWMUGLT-HXUWFJFHSA-N 2 1 371.485 0.812 20 0 FCADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000516926981 490885269 /nfs/dbraw/zinc/88/52/69/490885269.db2.gz QWWQNPLPYHPGLA-UHFFFAOYSA-N 2 1 351.447 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000557206253 491359587 /nfs/dbraw/zinc/35/95/87/491359587.db2.gz QQDDWKZWVFMSPH-SJORKVTESA-N 2 1 373.501 0.723 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000516960116 490887681 /nfs/dbraw/zinc/88/76/81/490887681.db2.gz SHCSJNVLSWDOKY-JKSUJKDBSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000516960116 490887682 /nfs/dbraw/zinc/88/76/82/490887682.db2.gz SHCSJNVLSWDOKY-JKSUJKDBSA-N 2 1 358.486 0.747 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517059596 490893436 /nfs/dbraw/zinc/89/34/36/490893436.db2.gz WGLOTFUUSCVPOQ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000530377545 490902253 /nfs/dbraw/zinc/90/22/53/490902253.db2.gz PWOIXZKTNRIQQM-BLLLJJGKSA-N 2 1 369.535 0.823 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000517263695 490902328 /nfs/dbraw/zinc/90/23/28/490902328.db2.gz VPHULTBBNLEQTD-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000530429601 490905248 /nfs/dbraw/zinc/90/52/48/490905248.db2.gz JQWVPSCZUGVOAV-JKSUJKDBSA-N 2 1 369.535 0.967 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000517541619 490911130 /nfs/dbraw/zinc/91/11/30/490911130.db2.gz YDVUGXAVSYYCCW-OKILXGFUSA-N 2 1 360.458 0.000 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239941 491364052 /nfs/dbraw/zinc/36/40/52/491364052.db2.gz OBBUXYKPLNKFAU-KBAYOESNSA-N 2 1 356.470 0.814 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239941 491364053 /nfs/dbraw/zinc/36/40/53/491364053.db2.gz OBBUXYKPLNKFAU-KBAYOESNSA-N 2 1 356.470 0.814 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000517577856 490913224 /nfs/dbraw/zinc/91/32/24/490913224.db2.gz BKGBIHKCONQSTI-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000517738688 490918693 /nfs/dbraw/zinc/91/86/93/490918693.db2.gz OSLWDPHYBWLRJR-DLBZAZTESA-N 2 1 363.506 0.563 20 0 FCADMP C[C@@H](CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380834 490931136 /nfs/dbraw/zinc/93/11/36/490931136.db2.gz RNSJRDAEMKAOBW-JKSUJKDBSA-N 2 1 353.511 0.890 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)CC[C@H]21 ZINC000518960823 490956669 /nfs/dbraw/zinc/95/66/69/490956669.db2.gz VVTBPKUWMDPPPG-WNRNVDISSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000531681031 490970477 /nfs/dbraw/zinc/97/04/77/490970477.db2.gz RMXJISKEGJMHSX-HZPDHXFCSA-N 2 1 354.495 0.386 20 0 FCADMP C[N@H+](C[C@@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000519640861 490981056 /nfs/dbraw/zinc/98/10/56/490981056.db2.gz ZPYHSAQOHHQHST-IBGZPJMESA-N 2 1 360.502 0.870 20 0 FCADMP C[N@@H+](C[C@@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000519640861 490981057 /nfs/dbraw/zinc/98/10/57/490981057.db2.gz ZPYHSAQOHHQHST-IBGZPJMESA-N 2 1 360.502 0.870 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519643558 490981466 /nfs/dbraw/zinc/98/14/66/490981466.db2.gz SVZGNZYQISZGBI-RDJZCZTQSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000519649261 490981923 /nfs/dbraw/zinc/98/19/23/490981923.db2.gz JLRJTXOXZVOAJJ-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000519649261 490981924 /nfs/dbraw/zinc/98/19/24/490981924.db2.gz JLRJTXOXZVOAJJ-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532093842 490986628 /nfs/dbraw/zinc/98/66/28/490986628.db2.gz JXQXCZIYVMUXGT-LJQANCHMSA-N 2 1 365.566 0.641 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996141 492009225 /nfs/dbraw/zinc/00/92/25/492009225.db2.gz QBHXJZSVKBCTPX-UXPWSPDFSA-N 2 1 372.513 0.675 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000569478960 491163270 /nfs/dbraw/zinc/16/32/70/491163270.db2.gz RTAIKQIEQNNXPH-CABCVRRESA-N 2 1 352.866 0.927 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648700 491177952 /nfs/dbraw/zinc/17/79/52/491177952.db2.gz DQDCVSNBXYQUJR-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648700 491177955 /nfs/dbraw/zinc/17/79/55/491177955.db2.gz DQDCVSNBXYQUJR-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000569648700 491177958 /nfs/dbraw/zinc/17/79/58/491177958.db2.gz DQDCVSNBXYQUJR-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000569648700 491177962 /nfs/dbraw/zinc/17/79/62/491177962.db2.gz DQDCVSNBXYQUJR-HUUCEWRRSA-N 2 1 366.506 0.057 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000572726118 491389302 /nfs/dbraw/zinc/38/93/02/491389302.db2.gz KJTJYHIFKVHXAJ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000557740677 491395193 /nfs/dbraw/zinc/39/51/93/491395193.db2.gz AHGDOZHMEZLLEK-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000557740677 491395196 /nfs/dbraw/zinc/39/51/96/491395196.db2.gz AHGDOZHMEZLLEK-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000557740677 491395199 /nfs/dbraw/zinc/39/51/99/491395199.db2.gz AHGDOZHMEZLLEK-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000557740677 491395201 /nfs/dbraw/zinc/39/52/01/491395201.db2.gz AHGDOZHMEZLLEK-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557749319 491396037 /nfs/dbraw/zinc/39/60/37/491396037.db2.gz RPADJOVKDAADNW-CQSZACIVSA-N 2 1 354.520 0.285 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000557749319 491396038 /nfs/dbraw/zinc/39/60/38/491396038.db2.gz RPADJOVKDAADNW-CQSZACIVSA-N 2 1 354.520 0.285 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000565811830 491400957 /nfs/dbraw/zinc/40/09/57/491400957.db2.gz AGIHAIPHHKPRBN-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000565811830 491400958 /nfs/dbraw/zinc/40/09/58/491400958.db2.gz AGIHAIPHHKPRBN-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572905891 491401271 /nfs/dbraw/zinc/40/12/71/491401271.db2.gz IRMVECHASKMSKB-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)CC1 ZINC000572984945 491405578 /nfs/dbraw/zinc/40/55/78/491405578.db2.gz SSCRHXURKMIHSA-JKSUJKDBSA-N 2 1 350.507 0.953 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573132128 491414785 /nfs/dbraw/zinc/41/47/85/491414785.db2.gz JHCKLDIBWYBRIU-IAGOWNOFSA-N 2 1 366.506 0.033 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000573192650 491417768 /nfs/dbraw/zinc/41/77/68/491417768.db2.gz ADRSPPXGCLVWOU-AWEZNQCLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209462 491419349 /nfs/dbraw/zinc/41/93/49/491419349.db2.gz OHVUBKFLHKFVLH-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209462 491419351 /nfs/dbraw/zinc/41/93/51/491419351.db2.gz OHVUBKFLHKFVLH-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209462 491419353 /nfs/dbraw/zinc/41/93/53/491419353.db2.gz OHVUBKFLHKFVLH-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321421 491426411 /nfs/dbraw/zinc/42/64/11/491426411.db2.gz UVNVJLVIKCZFKV-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321421 491426414 /nfs/dbraw/zinc/42/64/14/491426414.db2.gz UVNVJLVIKCZFKV-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321421 491426415 /nfs/dbraw/zinc/42/64/15/491426415.db2.gz UVNVJLVIKCZFKV-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000566236860 491428846 /nfs/dbraw/zinc/42/88/46/491428846.db2.gz CEFSDMFFNAFHHB-QAPCUYQASA-N 2 1 358.486 0.919 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000573505857 491437580 /nfs/dbraw/zinc/43/75/80/491437580.db2.gz DHNMPOWXPRMUGM-SFHVURJKSA-N 2 1 360.502 0.878 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511296 491438067 /nfs/dbraw/zinc/43/80/67/491438067.db2.gz BXQHHOVTHYWPJS-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000573511296 491438069 /nfs/dbraw/zinc/43/80/69/491438069.db2.gz BXQHHOVTHYWPJS-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000573511296 491438072 /nfs/dbraw/zinc/43/80/72/491438072.db2.gz BXQHHOVTHYWPJS-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000573511286 491438183 /nfs/dbraw/zinc/43/81/83/491438183.db2.gz BXQHHOVTHYWPJS-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000573511286 491438185 /nfs/dbraw/zinc/43/81/85/491438185.db2.gz BXQHHOVTHYWPJS-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000573511286 491438186 /nfs/dbraw/zinc/43/81/86/491438186.db2.gz BXQHHOVTHYWPJS-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000573630534 491445288 /nfs/dbraw/zinc/44/52/88/491445288.db2.gz UTHQVDHTBAXYRC-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000566491669 491448005 /nfs/dbraw/zinc/44/80/05/491448005.db2.gz WBZYRZBAQAJDTQ-RBUKOAKNSA-N 3 1 371.529 0.962 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000566491669 491448007 /nfs/dbraw/zinc/44/80/07/491448007.db2.gz WBZYRZBAQAJDTQ-RBUKOAKNSA-N 3 1 371.529 0.962 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000559384135 491469275 /nfs/dbraw/zinc/46/92/75/491469275.db2.gz HGYIXJRWKUCVEX-MRXNPFEDSA-N 2 1 364.490 0.824 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000559412333 491471264 /nfs/dbraw/zinc/47/12/64/491471264.db2.gz QQMDYZPLHWVOSS-SFHVURJKSA-N 2 1 371.485 0.987 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000559439969 491472770 /nfs/dbraw/zinc/47/27/70/491472770.db2.gz DGFOBZGEOUFPTK-KRWDZBQOSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559439969 491472773 /nfs/dbraw/zinc/47/27/73/491472773.db2.gz DGFOBZGEOUFPTK-KRWDZBQOSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000566890266 491473797 /nfs/dbraw/zinc/47/37/97/491473797.db2.gz IZZUZVGXIFXBGY-CYBMUJFWSA-N 2 1 357.418 0.639 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)CC1 ZINC000559462234 491475455 /nfs/dbraw/zinc/47/54/55/491475455.db2.gz PMBUWIZZENBBSW-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)CC1 ZINC000559462234 491475457 /nfs/dbraw/zinc/47/54/57/491475457.db2.gz PMBUWIZZENBBSW-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000566987475 491479823 /nfs/dbraw/zinc/47/98/23/491479823.db2.gz YBBZJRSDKAQEHY-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000566987475 491479826 /nfs/dbraw/zinc/47/98/26/491479826.db2.gz YBBZJRSDKAQEHY-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000566987475 491479828 /nfs/dbraw/zinc/47/98/28/491479828.db2.gz YBBZJRSDKAQEHY-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000559592208 491483554 /nfs/dbraw/zinc/48/35/54/491483554.db2.gz AXJFJXFBSKKXCA-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000574299326 491487554 /nfs/dbraw/zinc/48/75/54/491487554.db2.gz BLAUKAQBMCZWBJ-MRXNPFEDSA-N 2 1 368.522 0.945 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000559747229 491495301 /nfs/dbraw/zinc/49/53/01/491495301.db2.gz VHDRNFHUNOBVQW-ZFWWWQNUSA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000559747229 491495304 /nfs/dbraw/zinc/49/53/04/491495304.db2.gz VHDRNFHUNOBVQW-ZFWWWQNUSA-N 2 1 350.488 0.820 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000559760933 491496983 /nfs/dbraw/zinc/49/69/83/491496983.db2.gz SFYGGNMAUGYURV-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000559760933 491496984 /nfs/dbraw/zinc/49/69/84/491496984.db2.gz SFYGGNMAUGYURV-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000559760933 491496985 /nfs/dbraw/zinc/49/69/85/491496985.db2.gz SFYGGNMAUGYURV-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567356387 491501714 /nfs/dbraw/zinc/50/17/14/491501714.db2.gz JRQLGPMIUZDUGO-HKUYNNGSSA-N 2 1 352.523 0.805 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000567364810 491501904 /nfs/dbraw/zinc/50/19/04/491501904.db2.gz VIYJUHDPYOBXNL-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000567364810 491501906 /nfs/dbraw/zinc/50/19/06/491501906.db2.gz VIYJUHDPYOBXNL-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000559834680 491503742 /nfs/dbraw/zinc/50/37/42/491503742.db2.gz WMJOVSKXVCIVBR-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000559834680 491503743 /nfs/dbraw/zinc/50/37/43/491503743.db2.gz WMJOVSKXVCIVBR-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000559834680 491503744 /nfs/dbraw/zinc/50/37/44/491503744.db2.gz WMJOVSKXVCIVBR-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000574549431 491504582 /nfs/dbraw/zinc/50/45/82/491504582.db2.gz TZUSQAQERSPXNG-RBUKOAKNSA-N 2 1 372.513 0.865 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000574570430 491505750 /nfs/dbraw/zinc/50/57/50/491505750.db2.gz NHWNMHLXXYYRHS-GOSISDBHSA-N 2 1 358.486 0.980 20 0 FCADMP COC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496287 491510162 /nfs/dbraw/zinc/51/01/62/491510162.db2.gz VAXMFPCUGPYXJD-OXQOHEQNSA-N 2 1 374.485 0.949 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000560017803 491515745 /nfs/dbraw/zinc/51/57/45/491515745.db2.gz ZLRLMWOLWWNJBK-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP COC(=O)[C@](C)(O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574839281 491523757 /nfs/dbraw/zinc/52/37/57/491523757.db2.gz IBRQTNILPJCCDE-RVKKMQEKSA-N 2 1 358.479 0.501 20 0 FCADMP COC(=O)[C@](C)(O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574839281 491523758 /nfs/dbraw/zinc/52/37/58/491523758.db2.gz IBRQTNILPJCCDE-RVKKMQEKSA-N 2 1 358.479 0.501 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000574881628 491525842 /nfs/dbraw/zinc/52/58/42/491525842.db2.gz UWDFBYGAXHBUCA-GOSISDBHSA-N 2 1 373.501 0.574 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000574881628 491525843 /nfs/dbraw/zinc/52/58/43/491525843.db2.gz UWDFBYGAXHBUCA-GOSISDBHSA-N 2 1 373.501 0.574 20 0 FCADMP C[C@]1(n2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CCS(=O)(=O)C1 ZINC000574917005 491527755 /nfs/dbraw/zinc/52/77/55/491527755.db2.gz PBOZLPCTPSVDEU-BBWFWOEESA-N 2 1 352.504 0.848 20 0 FCADMP C[C@]1(n2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CCS(=O)(=O)C1 ZINC000574917005 491527757 /nfs/dbraw/zinc/52/77/57/491527757.db2.gz PBOZLPCTPSVDEU-BBWFWOEESA-N 2 1 352.504 0.848 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038290 491535145 /nfs/dbraw/zinc/53/51/45/491535145.db2.gz LTEHPTVZIYHRGJ-OLZOCXBDSA-N 2 1 351.417 0.558 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000575115206 491540200 /nfs/dbraw/zinc/54/02/00/491540200.db2.gz KMOJIABIUDUVSQ-HOTGVXAUSA-N 2 1 357.458 0.107 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000567908060 491540318 /nfs/dbraw/zinc/54/03/18/491540318.db2.gz QVKWFSKJEOKUBF-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000567908062 491540338 /nfs/dbraw/zinc/54/03/38/491540338.db2.gz QVKWFSKJEOKUBF-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCCCC2)nc1 ZINC000567990403 491545723 /nfs/dbraw/zinc/54/57/23/491545723.db2.gz ZWRLIULBYXVWRO-GOSISDBHSA-N 2 1 372.517 0.990 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCCCC2)nc1 ZINC000567990403 491545724 /nfs/dbraw/zinc/54/57/24/491545724.db2.gz ZWRLIULBYXVWRO-GOSISDBHSA-N 2 1 372.517 0.990 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000568252669 491562814 /nfs/dbraw/zinc/56/28/14/491562814.db2.gz DOYUFBGOZLMGIE-GVDBMIGSSA-N 2 1 371.485 0.624 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000575820483 491563004 /nfs/dbraw/zinc/56/30/04/491563004.db2.gz BVGVZORJGOYAEZ-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820483 491563007 /nfs/dbraw/zinc/56/30/07/491563007.db2.gz BVGVZORJGOYAEZ-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820483 491563010 /nfs/dbraw/zinc/56/30/10/491563010.db2.gz BVGVZORJGOYAEZ-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000575864006 491565651 /nfs/dbraw/zinc/56/56/51/491565651.db2.gz UQSKHSUKMFUBFE-RRFJBIMHSA-N 2 1 352.504 0.530 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000568309871 491569040 /nfs/dbraw/zinc/56/90/40/491569040.db2.gz YMIVXJNFEDVXFH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000568309871 491569041 /nfs/dbraw/zinc/56/90/41/491569041.db2.gz YMIVXJNFEDVXFH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000568309871 491569042 /nfs/dbraw/zinc/56/90/42/491569042.db2.gz YMIVXJNFEDVXFH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000561013804 491570597 /nfs/dbraw/zinc/57/05/97/491570597.db2.gz BGNDOKAKAOLATO-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000568372878 491572305 /nfs/dbraw/zinc/57/23/05/491572305.db2.gz BISNLFGODYMZHD-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC12CCOCC2 ZINC000577109921 491591057 /nfs/dbraw/zinc/59/10/57/491591057.db2.gz DKBVRDVWUBZXEX-ZDUSSCGKSA-N 2 1 366.487 0.761 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC12CCOCC2 ZINC000577109921 491591062 /nfs/dbraw/zinc/59/10/62/491591062.db2.gz DKBVRDVWUBZXEX-ZDUSSCGKSA-N 2 1 366.487 0.761 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000577348384 491613776 /nfs/dbraw/zinc/61/37/76/491613776.db2.gz PFNJNVYJBPRHJJ-WBVHZDCISA-N 2 1 372.469 0.922 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000577348384 491613780 /nfs/dbraw/zinc/61/37/80/491613780.db2.gz PFNJNVYJBPRHJJ-WBVHZDCISA-N 2 1 372.469 0.922 20 0 FCADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577355548 491614189 /nfs/dbraw/zinc/61/41/89/491614189.db2.gz BZFDJUSXNFMKDH-SJLPKXTDSA-N 2 1 371.485 0.479 20 0 FCADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577355547 491614332 /nfs/dbraw/zinc/61/43/32/491614332.db2.gz BZFDJUSXNFMKDH-FUHWJXTLSA-N 2 1 371.485 0.479 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000568866854 491615019 /nfs/dbraw/zinc/61/50/19/491615019.db2.gz KKRICPIWEZNGEZ-SFHVURJKSA-N 2 1 372.469 0.942 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000577410635 491620318 /nfs/dbraw/zinc/62/03/18/491620318.db2.gz DDEOVJWVNASZQG-ZWKOTPCHSA-N 2 1 367.534 0.944 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522585 491622014 /nfs/dbraw/zinc/62/20/14/491622014.db2.gz SVEMMTZOFNDIIA-UWVAXJGDSA-N 2 1 374.485 0.999 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522585 491622016 /nfs/dbraw/zinc/62/20/16/491622016.db2.gz SVEMMTZOFNDIIA-UWVAXJGDSA-N 2 1 374.485 0.999 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000576570852 491625994 /nfs/dbraw/zinc/62/59/94/491625994.db2.gz HXVNHVCBYBVPJV-MRXNPFEDSA-N 2 1 366.487 0.737 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000576695585 491636570 /nfs/dbraw/zinc/63/65/70/491636570.db2.gz OJFFSAGZAILQLI-CBZIJGRNSA-N 2 1 360.502 0.815 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000576727857 491639866 /nfs/dbraw/zinc/63/98/66/491639866.db2.gz FXVGMRPXVLYUKL-QGZVFWFLSA-N 2 1 374.485 0.697 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000562001784 491646765 /nfs/dbraw/zinc/64/67/65/491646765.db2.gz PVBBCHSPRSCECH-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(CC[NH2+]C1CC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000577745161 491648779 /nfs/dbraw/zinc/64/87/79/491648779.db2.gz BPPJZZBGIIGTON-UHFFFAOYSA-N 2 1 366.506 0.206 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000577995943 491666934 /nfs/dbraw/zinc/66/69/34/491666934.db2.gz YFWXHYKIGOCKCZ-SFHVURJKSA-N 2 1 361.490 0.586 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000578213964 491672328 /nfs/dbraw/zinc/67/23/28/491672328.db2.gz GGFLGNURWDXSEB-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000578213964 491672329 /nfs/dbraw/zinc/67/23/29/491672329.db2.gz GGFLGNURWDXSEB-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000578393988 491676211 /nfs/dbraw/zinc/67/62/11/491676211.db2.gz ZMFMDICJSOUROK-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000578393988 491676212 /nfs/dbraw/zinc/67/62/12/491676212.db2.gz ZMFMDICJSOUROK-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000683501063 493356555 /nfs/dbraw/zinc/35/65/55/493356555.db2.gz KJUUFFJRVDMSID-GVDBMIGSSA-N 2 1 350.507 0.966 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000578401914 491676574 /nfs/dbraw/zinc/67/65/74/491676574.db2.gz FVBOCHDHQRGMEG-OAHLLOKOSA-N 2 1 356.511 0.260 20 0 FCADMP CN1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000578608212 491680545 /nfs/dbraw/zinc/68/05/45/491680545.db2.gz CDUHCTKHLBYRCI-GOSISDBHSA-N 2 1 361.490 0.303 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000578741524 491683399 /nfs/dbraw/zinc/68/33/99/491683399.db2.gz BXWDGSZAFJVAQB-KRWDZBQOSA-N 2 1 359.474 0.625 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254194 491694162 /nfs/dbraw/zinc/69/41/62/491694162.db2.gz AKLAGMKDFIASLN-GJZGRUSLSA-N 2 1 355.483 0.597 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000579308738 491695135 /nfs/dbraw/zinc/69/51/35/491695135.db2.gz YMMMNJWPRPNBGA-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579690629 491703089 /nfs/dbraw/zinc/70/30/89/491703089.db2.gz VAJGUWAACFYKSM-GJZGRUSLSA-N 2 1 351.495 0.370 20 0 FCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000579807939 491705599 /nfs/dbraw/zinc/70/55/99/491705599.db2.gz XKQGCQNNHMZPTF-KRWDZBQOSA-N 2 1 364.490 0.006 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781705 491714181 /nfs/dbraw/zinc/71/41/81/491714181.db2.gz OOGLTJXPRGIBIX-SJORKVTESA-N 2 1 374.485 0.886 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000580062705 491715582 /nfs/dbraw/zinc/71/55/82/491715582.db2.gz WBCYWYIBRSDAEX-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000580062708 491715654 /nfs/dbraw/zinc/71/56/54/491715654.db2.gz WBCYWYIBRSDAEX-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000580265728 491723498 /nfs/dbraw/zinc/72/34/98/491723498.db2.gz GCPRAJNXJXIYDG-UHFFFAOYSA-N 2 1 371.551 0.323 20 0 FCADMP C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000580631976 491739235 /nfs/dbraw/zinc/73/92/35/491739235.db2.gz HSGMDPBVZYBYFS-OCCSQVGLSA-N 2 1 363.428 0.772 20 0 FCADMP C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000580631968 491739374 /nfs/dbraw/zinc/73/93/74/491739374.db2.gz HSGMDPBVZYBYFS-GXTWGEPZSA-N 2 1 363.428 0.772 20 0 FCADMP Cc1cc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000580785950 491746071 /nfs/dbraw/zinc/74/60/71/491746071.db2.gz UEYSBDIVGMCMHJ-HZPDHXFCSA-N 2 1 372.473 0.444 20 0 FCADMP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000580882531 491750080 /nfs/dbraw/zinc/75/00/80/491750080.db2.gz QSAQSHOIUWKMKM-OAHLLOKOSA-N 2 1 359.474 0.164 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C[NH3+])CC1 ZINC000581240662 491765288 /nfs/dbraw/zinc/76/52/88/491765288.db2.gz VPDPQEZVHQDUIQ-INIZCTEOSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581360537 491769806 /nfs/dbraw/zinc/76/98/06/491769806.db2.gz LCPOEQPJOGAMDO-ZBFHGGJFSA-N 2 1 360.458 0.764 20 0 FCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581360537 491769807 /nfs/dbraw/zinc/76/98/07/491769807.db2.gz LCPOEQPJOGAMDO-ZBFHGGJFSA-N 2 1 360.458 0.764 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CCCO1 ZINC000581450049 491773655 /nfs/dbraw/zinc/77/36/55/491773655.db2.gz QWURERRGDAASAU-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCCO1 ZINC000581450049 491773656 /nfs/dbraw/zinc/77/36/56/491773656.db2.gz QWURERRGDAASAU-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCCO1 ZINC000581450049 491773658 /nfs/dbraw/zinc/77/36/58/491773658.db2.gz QWURERRGDAASAU-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000581484714 491774763 /nfs/dbraw/zinc/77/47/63/491774763.db2.gz ZQZGSBNMLFLDLZ-HNNXBMFYSA-N 2 1 352.479 0.676 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000581484714 491774764 /nfs/dbraw/zinc/77/47/64/491774764.db2.gz ZQZGSBNMLFLDLZ-HNNXBMFYSA-N 2 1 352.479 0.676 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581551121 491777445 /nfs/dbraw/zinc/77/74/45/491777445.db2.gz BJCFGEYZTPALMQ-UYAOXDASSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)C1=CC[N@@H+](C)CC1 ZINC000581575558 491778503 /nfs/dbraw/zinc/77/85/03/491778503.db2.gz VPWYKSUOKBRRFR-HNNXBMFYSA-N 2 1 362.474 0.936 20 0 FCADMP CN(c1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618667 491780146 /nfs/dbraw/zinc/78/01/46/491780146.db2.gz KOYKTDHBHZBAMD-MOPGFXCFSA-N 3 1 371.529 0.961 20 0 FCADMP CN(c1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618667 491780148 /nfs/dbraw/zinc/78/01/48/491780148.db2.gz KOYKTDHBHZBAMD-MOPGFXCFSA-N 3 1 371.529 0.961 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000581938012 491791075 /nfs/dbraw/zinc/79/10/75/491791075.db2.gz WKJTXCOQAUBEOO-OAHLLOKOSA-N 2 1 350.463 0.757 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585255 493364069 /nfs/dbraw/zinc/36/40/69/493364069.db2.gz PHEFXHWJJNDHDP-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[NH+]1C1CC1 ZINC000582028225 491795050 /nfs/dbraw/zinc/79/50/50/491795050.db2.gz GINCNLQPHIQTJN-IIAWOOMASA-N 2 1 350.507 0.964 20 0 FCADMP O=C(CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1CC[NH2+]CC1 ZINC000582176464 491801263 /nfs/dbraw/zinc/80/12/63/491801263.db2.gz VCZZIPAMSUWOJZ-ZWKOTPCHSA-N 2 1 371.485 0.334 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000582230924 491803211 /nfs/dbraw/zinc/80/32/11/491803211.db2.gz PJCHPXNEVWJDQZ-SJLPKXTDSA-N 2 1 361.490 0.485 20 0 FCADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000582235456 491803456 /nfs/dbraw/zinc/80/34/56/491803456.db2.gz MIHVLKGWHXUFGM-KRWDZBQOSA-N 2 1 362.518 0.777 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000582563722 491818061 /nfs/dbraw/zinc/81/80/61/491818061.db2.gz OMDZRZUYKBWTBZ-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP O=C(C[C@H]1C[NH2+]CCO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000582667405 491821898 /nfs/dbraw/zinc/82/18/98/491821898.db2.gz NGMWVZNYXUNQLN-SFHVURJKSA-N 2 1 362.474 0.511 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000582899373 491831174 /nfs/dbraw/zinc/83/11/74/491831174.db2.gz ZDHIASWJHYMSLE-HXUWFJFHSA-N 2 1 372.469 0.972 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000583458510 491845339 /nfs/dbraw/zinc/84/53/39/491845339.db2.gz JMYUEOVUMDPPAC-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000583458511 491845364 /nfs/dbraw/zinc/84/53/64/491845364.db2.gz JMYUEOVUMDPPAC-PMPSAXMXSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467617 491845502 /nfs/dbraw/zinc/84/55/02/491845502.db2.gz JLLVJOMCZZQANO-NVXWUHKLSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000583467617 491845503 /nfs/dbraw/zinc/84/55/03/491845503.db2.gz JLLVJOMCZZQANO-NVXWUHKLSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000583467617 491845504 /nfs/dbraw/zinc/84/55/04/491845504.db2.gz JLLVJOMCZZQANO-NVXWUHKLSA-N 2 1 362.518 0.943 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]21 ZINC000583565341 491847635 /nfs/dbraw/zinc/84/76/35/491847635.db2.gz AGJWTMBUWWCSBP-ARFHVFGLSA-N 2 1 360.458 0.623 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(=O)N(C)C(=O)C3)CC2)CC1 ZINC000583763339 491851632 /nfs/dbraw/zinc/85/16/32/491851632.db2.gz WOQRYZQPLYVIPG-UHFFFAOYSA-N 2 1 350.463 0.010 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)C2)C1 ZINC000583866128 491853524 /nfs/dbraw/zinc/85/35/24/491853524.db2.gz WKADBBWQFQWJTM-QKLQHJQFSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC1=O ZINC000583881712 491854023 /nfs/dbraw/zinc/85/40/23/491854023.db2.gz JIWNQYAUZFTTAN-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000583881712 491854024 /nfs/dbraw/zinc/85/40/24/491854024.db2.gz JIWNQYAUZFTTAN-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000583881712 491854025 /nfs/dbraw/zinc/85/40/25/491854025.db2.gz JIWNQYAUZFTTAN-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CCOC(=O)C1CCC(O)(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000584048299 491857365 /nfs/dbraw/zinc/85/73/65/491857365.db2.gz KSUKRDNZEHVDIU-UHFFFAOYSA-N 2 1 355.479 0.225 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000584110097 491858694 /nfs/dbraw/zinc/85/86/94/491858694.db2.gz PLVSNTUPTPHJJQ-GJZGRUSLSA-N 2 1 350.467 0.117 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584163066 491859736 /nfs/dbraw/zinc/85/97/36/491859736.db2.gz UIVDEICZJWBRQM-INMHGKMJSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584163066 491859737 /nfs/dbraw/zinc/85/97/37/491859737.db2.gz UIVDEICZJWBRQM-INMHGKMJSA-N 2 1 362.474 0.246 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000584162659 491859741 /nfs/dbraw/zinc/85/97/41/491859741.db2.gz MNRBVSAXYBUSJN-OAHLLOKOSA-N 2 1 351.520 0.521 20 0 FCADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000584249329 491861602 /nfs/dbraw/zinc/86/16/02/491861602.db2.gz GZRAVFSLDKCRDL-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257563 491861850 /nfs/dbraw/zinc/86/18/50/491861850.db2.gz YMUREDJEWZQARK-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257563 491861851 /nfs/dbraw/zinc/86/18/51/491861851.db2.gz YMUREDJEWZQARK-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257563 491861852 /nfs/dbraw/zinc/86/18/52/491861852.db2.gz YMUREDJEWZQARK-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000611954458 491885079 /nfs/dbraw/zinc/88/50/79/491885079.db2.gz BSBKEDZJOGUVAO-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000601006664 491892785 /nfs/dbraw/zinc/89/27/85/491892785.db2.gz PKOPSIURVUPSEF-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000601006664 491892787 /nfs/dbraw/zinc/89/27/87/491892787.db2.gz PKOPSIURVUPSEF-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006664 491892789 /nfs/dbraw/zinc/89/27/89/491892789.db2.gz PKOPSIURVUPSEF-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006664 491892790 /nfs/dbraw/zinc/89/27/90/491892790.db2.gz PKOPSIURVUPSEF-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000595273703 491910342 /nfs/dbraw/zinc/91/03/42/491910342.db2.gz LPLBNAXXFRFOPI-DLBZAZTESA-N 2 1 365.522 0.985 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612595851 491936865 /nfs/dbraw/zinc/93/68/65/491936865.db2.gz REGCMDYPWVQOMA-IRXDYDNUSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612595850 491936912 /nfs/dbraw/zinc/93/69/12/491936912.db2.gz REGCMDYPWVQOMA-IAGOWNOFSA-N 2 1 366.506 0.297 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000595957482 491965285 /nfs/dbraw/zinc/96/52/85/491965285.db2.gz USGGYMLSYAOMLB-SMDDNHRTSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000595957482 491965287 /nfs/dbraw/zinc/96/52/87/491965287.db2.gz USGGYMLSYAOMLB-SMDDNHRTSA-N 2 1 351.369 0.624 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000613422715 491981376 /nfs/dbraw/zinc/98/13/76/491981376.db2.gz JEGVIHOYJMBJDK-SFHVURJKSA-N 2 1 352.523 0.774 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000602427469 491985643 /nfs/dbraw/zinc/98/56/43/491985643.db2.gz FUMXLEDKOFWQAS-UHFFFAOYSA-N 2 1 356.536 0.979 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659982 491990216 /nfs/dbraw/zinc/99/02/16/491990216.db2.gz GHDJALSNWXFTMU-YLFCFFPRSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000597460187 492039623 /nfs/dbraw/zinc/03/96/23/492039623.db2.gz ISFXAQHDLMFPEC-QGZVFWFLSA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)ccn2)CC1 ZINC000604169047 492052505 /nfs/dbraw/zinc/05/25/05/492052505.db2.gz GTWHVEJNZMGLOZ-MRXNPFEDSA-N 2 1 358.490 0.869 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC000604389029 492059647 /nfs/dbraw/zinc/05/96/47/492059647.db2.gz MNIXZMRCIPAJJY-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC000604389029 492059650 /nfs/dbraw/zinc/05/96/50/492059650.db2.gz MNIXZMRCIPAJJY-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604640646 492065976 /nfs/dbraw/zinc/06/59/76/492065976.db2.gz YANWOBFUNJWUQU-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604640646 492065978 /nfs/dbraw/zinc/06/59/78/492065978.db2.gz YANWOBFUNJWUQU-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604640646 492065981 /nfs/dbraw/zinc/06/59/81/492065981.db2.gz YANWOBFUNJWUQU-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)C1 ZINC000604654910 492066949 /nfs/dbraw/zinc/06/69/49/492066949.db2.gz WHHPBAVWXKGWDX-MRXNPFEDSA-N 2 1 355.552 0.457 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)C1 ZINC000604654910 492066950 /nfs/dbraw/zinc/06/69/50/492066950.db2.gz WHHPBAVWXKGWDX-MRXNPFEDSA-N 2 1 355.552 0.457 20 0 FCADMP CC(C)NC(=O)CN(C)CC(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615090477 492072010 /nfs/dbraw/zinc/07/20/10/492072010.db2.gz CALRGARQFJNXHB-OAHLLOKOSA-N 2 1 354.495 0.155 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607226890 492141080 /nfs/dbraw/zinc/14/10/80/492141080.db2.gz IMKIVANZQBXIAV-QGZVFWFLSA-N 3 1 357.543 0.478 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000607226890 492141081 /nfs/dbraw/zinc/14/10/81/492141081.db2.gz IMKIVANZQBXIAV-QGZVFWFLSA-N 2 1 357.543 0.478 20 0 FCADMP C[C@H]1CN(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000607229442 492141643 /nfs/dbraw/zinc/14/16/43/492141643.db2.gz YQPDPUFOFMIAHZ-IRXDYDNUSA-N 2 1 357.543 0.621 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000610250151 492239338 /nfs/dbraw/zinc/23/93/38/492239338.db2.gz BSXADKPPFKKAGD-HNNXBMFYSA-N 2 1 351.495 0.417 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000619900057 492282487 /nfs/dbraw/zinc/28/24/87/492282487.db2.gz RMEIYEXFZBHRCT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900057 492282489 /nfs/dbraw/zinc/28/24/89/492282489.db2.gz RMEIYEXFZBHRCT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900057 492282491 /nfs/dbraw/zinc/28/24/91/492282491.db2.gz RMEIYEXFZBHRCT-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000619897824 492282524 /nfs/dbraw/zinc/28/25/24/492282524.db2.gz BBMBUIMUGSRCBG-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000619897824 492282526 /nfs/dbraw/zinc/28/25/26/492282526.db2.gz BBMBUIMUGSRCBG-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654379029 492296345 /nfs/dbraw/zinc/29/63/45/492296345.db2.gz MJXNGXHFKAEKSC-HZPDHXFCSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654379029 492296346 /nfs/dbraw/zinc/29/63/46/492296346.db2.gz MJXNGXHFKAEKSC-HZPDHXFCSA-N 2 1 351.495 0.513 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568011 492315573 /nfs/dbraw/zinc/31/55/73/492315573.db2.gz FROXNBFRICCXEC-KRWDZBQOSA-N 2 1 373.501 0.981 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568011 492315578 /nfs/dbraw/zinc/31/55/78/492315578.db2.gz FROXNBFRICCXEC-KRWDZBQOSA-N 2 1 373.501 0.981 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627502571 492325620 /nfs/dbraw/zinc/32/56/20/492325620.db2.gz BVWOFGSWFVUXIB-MUQADHOPSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627502571 492325623 /nfs/dbraw/zinc/32/56/23/492325623.db2.gz BVWOFGSWFVUXIB-MUQADHOPSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260026 492331247 /nfs/dbraw/zinc/33/12/47/492331247.db2.gz PQUXHAJIBISNOL-IRXDYDNUSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000634260022 492331471 /nfs/dbraw/zinc/33/14/71/492331471.db2.gz PQUXHAJIBISNOL-DLBZAZTESA-N 2 1 365.522 0.714 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642083224 492331609 /nfs/dbraw/zinc/33/16/09/492331609.db2.gz CYASPOWIJFVPTL-OWCLPIDISA-N 2 1 360.458 0.743 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000642076161 492331652 /nfs/dbraw/zinc/33/16/52/492331652.db2.gz BAQIDJAZEUUBJU-MRXNPFEDSA-N 2 1 366.506 0.396 20 0 FCADMP C[C@H](CNC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655703 492335226 /nfs/dbraw/zinc/33/52/26/492335226.db2.gz UXJPQATUAPIORT-NRKLIOEPSA-N 2 1 354.495 0.599 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195164 492339914 /nfs/dbraw/zinc/33/99/14/492339914.db2.gz BSWLJZKXCISICI-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194110 492340297 /nfs/dbraw/zinc/34/02/97/492340297.db2.gz WJMOTKSUMBGAAA-YRNRMSPPSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000642195248 492340379 /nfs/dbraw/zinc/34/03/79/492340379.db2.gz SERHJHQDVOYSFS-XWTMOSNGSA-N 2 1 356.470 0.616 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642254036 492345477 /nfs/dbraw/zinc/34/54/77/492345477.db2.gz ZYOBDBGWUPOXPN-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642254012 492345546 /nfs/dbraw/zinc/34/55/46/492345546.db2.gz WWHNPLUQAOJBOY-KRWDZBQOSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642254013 492346053 /nfs/dbraw/zinc/34/60/53/492346053.db2.gz WWHNPLUQAOJBOY-QGZVFWFLSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642288134 492348684 /nfs/dbraw/zinc/34/86/84/492348684.db2.gz CDCSBIKISJOVOG-MRXNPFEDSA-N 2 1 350.507 0.827 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706943 492349342 /nfs/dbraw/zinc/34/93/42/492349342.db2.gz SYWQFNNWCSBUSX-UFYCRDLUSA-N 2 1 372.513 0.643 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c2ccccc2)CC1 ZINC000647706943 492349347 /nfs/dbraw/zinc/34/93/47/492349347.db2.gz SYWQFNNWCSBUSX-UFYCRDLUSA-N 2 1 372.513 0.643 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642302690 492349603 /nfs/dbraw/zinc/34/96/03/492349603.db2.gz VDCNYJPTTJRASR-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC000642330553 492351745 /nfs/dbraw/zinc/35/17/45/492351745.db2.gz UOUBFWICSSQRTQ-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642330446 492352254 /nfs/dbraw/zinc/35/22/54/492352254.db2.gz KIEYYADTZMATMP-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105064 492356441 /nfs/dbraw/zinc/35/64/41/492356441.db2.gz KPKLTDKCSJQXFQ-IAGOWNOFSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642394744 492357032 /nfs/dbraw/zinc/35/70/32/492357032.db2.gz KXAZHBPDVXLSBV-ZNMIVQPWSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642394744 492357034 /nfs/dbraw/zinc/35/70/34/492357034.db2.gz KXAZHBPDVXLSBV-ZNMIVQPWSA-N 2 1 354.495 0.249 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000642522157 492361086 /nfs/dbraw/zinc/36/10/86/492361086.db2.gz LMZADFOBPYGACZ-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634709268 492362034 /nfs/dbraw/zinc/36/20/34/492362034.db2.gz GUDBDGNHRJXMOQ-QZTJIDSGSA-N 2 1 367.515 0.495 20 0 FCADMP CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634709268 492362038 /nfs/dbraw/zinc/36/20/38/492362038.db2.gz GUDBDGNHRJXMOQ-QZTJIDSGSA-N 2 1 367.515 0.495 20 0 FCADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000647816551 492365355 /nfs/dbraw/zinc/36/53/55/492365355.db2.gz XOSXEGALYPNLJP-UHFFFAOYSA-N 2 1 368.503 0.067 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640689 492368380 /nfs/dbraw/zinc/36/83/80/492368380.db2.gz ISOVKRBOMSCCRY-INDMIFKZSA-N 2 1 370.497 0.963 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000647835559 492368864 /nfs/dbraw/zinc/36/88/64/492368864.db2.gz BOSMOTSSPKFPCF-UHFFFAOYSA-N 2 1 373.501 0.032 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000647835559 492368867 /nfs/dbraw/zinc/36/88/67/492368867.db2.gz BOSMOTSSPKFPCF-UHFFFAOYSA-N 2 1 373.501 0.032 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000647834968 492368889 /nfs/dbraw/zinc/36/88/89/492368889.db2.gz HLPHNOIQSQRDNO-UHFFFAOYSA-N 2 1 370.444 0.784 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000647834968 492368893 /nfs/dbraw/zinc/36/88/93/492368893.db2.gz HLPHNOIQSQRDNO-UHFFFAOYSA-N 2 1 370.444 0.784 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835256 492368913 /nfs/dbraw/zinc/36/89/13/492368913.db2.gz SESBEOISCNPGDP-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835256 492368917 /nfs/dbraw/zinc/36/89/17/492368917.db2.gz SESBEOISCNPGDP-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000642640890 492369090 /nfs/dbraw/zinc/36/90/90/492369090.db2.gz IWMVLRBTUUDWRN-SFHVURJKSA-N 2 1 374.485 0.262 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000634781898 492369436 /nfs/dbraw/zinc/36/94/36/492369436.db2.gz SMUVEBWZZOYCIP-CALCHBBNSA-N 2 1 351.491 0.716 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000634781898 492369439 /nfs/dbraw/zinc/36/94/39/492369439.db2.gz SMUVEBWZZOYCIP-CALCHBBNSA-N 2 1 351.491 0.716 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000647835703 492370443 /nfs/dbraw/zinc/37/04/43/492370443.db2.gz JMSBPTWCWKJLTP-UHFFFAOYSA-N 2 1 374.529 0.688 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000647835703 492370446 /nfs/dbraw/zinc/37/04/46/492370446.db2.gz JMSBPTWCWKJLTP-UHFFFAOYSA-N 2 1 374.529 0.688 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642693051 492374266 /nfs/dbraw/zinc/37/42/66/492374266.db2.gz MZUZCSCUTKFKFQ-MPGHIAIKSA-N 2 1 374.485 0.124 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642693051 492374271 /nfs/dbraw/zinc/37/42/71/492374271.db2.gz MZUZCSCUTKFKFQ-MPGHIAIKSA-N 2 1 374.485 0.124 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642707991 492376800 /nfs/dbraw/zinc/37/68/00/492376800.db2.gz DCIDATBTVBBREJ-GOSISDBHSA-N 2 1 374.485 0.393 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642732683 492382390 /nfs/dbraw/zinc/38/23/90/492382390.db2.gz OREGKWPICGQPHH-YVSFHVDLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744987 492384335 /nfs/dbraw/zinc/38/43/35/492384335.db2.gz VSGJYJNWEPOJOB-YJBOKZPZSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744987 492384338 /nfs/dbraw/zinc/38/43/38/492384338.db2.gz VSGJYJNWEPOJOB-YJBOKZPZSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000642778697 492389529 /nfs/dbraw/zinc/38/95/29/492389529.db2.gz DEBMXSPCGRARMX-CVEARBPZSA-N 2 1 359.474 0.993 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976678 492390642 /nfs/dbraw/zinc/39/06/42/492390642.db2.gz RVZAHGCPERDCCS-OIISXLGYSA-N 2 1 350.507 0.810 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000647983531 492390753 /nfs/dbraw/zinc/39/07/53/492390753.db2.gz DTTAMJOMFKFWIO-QRQLOZEOSA-N 2 1 374.485 0.418 20 0 FCADMP Cc1cc(N2CCC(NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)nc(C)[nH+]1 ZINC000647996118 492392288 /nfs/dbraw/zinc/39/22/88/492392288.db2.gz QVZAQMKANCVFMU-HOTGVXAUSA-N 2 1 362.478 0.379 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cn2)CC1 ZINC000635099835 492392508 /nfs/dbraw/zinc/39/25/08/492392508.db2.gz OKYYSIVRJGXJTB-WMLDXEAASA-N 2 1 374.489 0.641 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000642808934 492396868 /nfs/dbraw/zinc/39/68/68/492396868.db2.gz KKLXLNSGXNBRHR-DOTOQJQBSA-N 2 1 364.465 0.960 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887403 492397728 /nfs/dbraw/zinc/39/77/28/492397728.db2.gz SZJGHUCNVLBFKR-HPBDAGMYSA-N 2 1 374.460 0.822 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000621641713 492398920 /nfs/dbraw/zinc/39/89/20/492398920.db2.gz UBLYQWOOWWDWNH-QGZVFWFLSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000621641713 492398924 /nfs/dbraw/zinc/39/89/24/492398924.db2.gz UBLYQWOOWWDWNH-QGZVFWFLSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000642904121 492399998 /nfs/dbraw/zinc/39/99/98/492399998.db2.gz RGDINLGICROSFP-GOSISDBHSA-N 2 1 358.486 0.632 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000642903205 492400033 /nfs/dbraw/zinc/40/00/33/492400033.db2.gz DZZQUFOEXLDRGF-NCOADZHNSA-N 2 1 366.506 0.345 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642906076 492401108 /nfs/dbraw/zinc/40/11/08/492401108.db2.gz ZSXCBLMWUTUEIK-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096236 492402637 /nfs/dbraw/zinc/40/26/37/492402637.db2.gz PUBIHJQQQADJNV-BJLQDIEVSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000642918059 492402832 /nfs/dbraw/zinc/40/28/32/492402832.db2.gz LNGLGPBTBDHHOB-INIZCTEOSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@@H]1[NH3+] ZINC000648126522 492403711 /nfs/dbraw/zinc/40/37/11/492403711.db2.gz LQUPAOLVSRIJRM-IXDOHACOSA-N 2 1 366.506 0.286 20 0 FCADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150550 492408447 /nfs/dbraw/zinc/40/84/47/492408447.db2.gz KTMYWHAUEMLMIU-MRXNPFEDSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973555 492409137 /nfs/dbraw/zinc/40/91/37/492409137.db2.gz DNJOFGKGVIVGPT-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000621837669 492421238 /nfs/dbraw/zinc/42/12/38/492421238.db2.gz NNVVIYPPYLXBLY-DOXZYTNZSA-N 2 1 360.458 0.873 20 0 FCADMP CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000643250830 492434672 /nfs/dbraw/zinc/43/46/72/492434672.db2.gz LCWDEGBXXFRSTD-SFHVURJKSA-N 2 1 372.469 0.987 20 0 FCADMP CCN1C(=O)[C@@H]2CN(Cc3ccc(CN4CCOCC4)cc3)CCN2C1=O ZINC000643250830 492434676 /nfs/dbraw/zinc/43/46/76/492434676.db2.gz LCWDEGBXXFRSTD-SFHVURJKSA-N 2 1 372.469 0.987 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000655508295 492449883 /nfs/dbraw/zinc/44/98/83/492449883.db2.gz MBTFMDPAQMWXIA-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758967 492451798 /nfs/dbraw/zinc/45/17/98/492451798.db2.gz OKKYTOLCAPEDRH-PVTMVUMOSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758967 492451799 /nfs/dbraw/zinc/45/17/99/492451799.db2.gz OKKYTOLCAPEDRH-PVTMVUMOSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648758967 492451802 /nfs/dbraw/zinc/45/18/02/492451802.db2.gz OKKYTOLCAPEDRH-PVTMVUMOSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648760076 492452001 /nfs/dbraw/zinc/45/20/01/492452001.db2.gz DTNWZOKVMRXBMP-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648760076 492452004 /nfs/dbraw/zinc/45/20/04/492452004.db2.gz DTNWZOKVMRXBMP-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)CC[NH+]1C ZINC000648760076 492452007 /nfs/dbraw/zinc/45/20/07/492452007.db2.gz DTNWZOKVMRXBMP-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552414 492455472 /nfs/dbraw/zinc/45/54/72/492455472.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552414 492455474 /nfs/dbraw/zinc/45/54/74/492455474.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552414 492455475 /nfs/dbraw/zinc/45/54/75/492455475.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552414 492455478 /nfs/dbraw/zinc/45/54/78/492455478.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552414 492455480 /nfs/dbraw/zinc/45/54/80/492455480.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 2 1 367.538 0.301 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556307 492456426 /nfs/dbraw/zinc/45/64/26/492456426.db2.gz HLOYDYJRSHFXAX-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655556307 492456428 /nfs/dbraw/zinc/45/64/28/492456428.db2.gz HLOYDYJRSHFXAX-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655556307 492456430 /nfs/dbraw/zinc/45/64/30/492456430.db2.gz HLOYDYJRSHFXAX-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557281 492457592 /nfs/dbraw/zinc/45/75/92/492457592.db2.gz WATKJMWJWUXDKA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655557281 492457595 /nfs/dbraw/zinc/45/75/95/492457595.db2.gz WATKJMWJWUXDKA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655557281 492457598 /nfs/dbraw/zinc/45/75/98/492457598.db2.gz WATKJMWJWUXDKA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655577318 492460090 /nfs/dbraw/zinc/46/00/90/492460090.db2.gz BIDDSKPDIZGQSD-QGZVFWFLSA-N 2 1 366.506 0.651 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000655577318 492460096 /nfs/dbraw/zinc/46/00/96/492460096.db2.gz BIDDSKPDIZGQSD-QGZVFWFLSA-N 2 1 366.506 0.651 20 0 FCADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000628103683 492464048 /nfs/dbraw/zinc/46/40/48/492464048.db2.gz PFFKWENBRFEYQC-KRWDZBQOSA-N 2 1 362.474 0.650 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643480997 492476907 /nfs/dbraw/zinc/47/69/07/492476907.db2.gz SSUMXBKHEROUOF-RTBURBONSA-N 2 1 370.497 0.789 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498022 492482186 /nfs/dbraw/zinc/48/21/86/492482186.db2.gz IKBMGINTKRLBQL-QEOTZNIISA-N 2 1 366.506 0.282 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498022 492482190 /nfs/dbraw/zinc/48/21/90/492482190.db2.gz IKBMGINTKRLBQL-QEOTZNIISA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000643498020 492482385 /nfs/dbraw/zinc/48/23/85/492482385.db2.gz IKBMGINTKRLBQL-MTSZKFMLSA-N 2 1 366.506 0.282 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000643500316 492483058 /nfs/dbraw/zinc/48/30/58/492483058.db2.gz BTOVXMYCGSYXQX-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H]1CC ZINC000643512766 492485216 /nfs/dbraw/zinc/48/52/16/492485216.db2.gz YUHKXGAKEHXWSB-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H]1CC ZINC000643512766 492485220 /nfs/dbraw/zinc/48/52/20/492485220.db2.gz YUHKXGAKEHXWSB-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643544151 492495504 /nfs/dbraw/zinc/49/55/04/492495504.db2.gz RMAZXDWZFGIZIB-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)CC[N@@H+]1CCOC ZINC000643545016 492495893 /nfs/dbraw/zinc/49/58/93/492495893.db2.gz OFYKKMJUQUURBJ-BBWFWOEESA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)CC[N@H+]1CCOC ZINC000643545016 492495896 /nfs/dbraw/zinc/49/58/96/492495896.db2.gz OFYKKMJUQUURBJ-BBWFWOEESA-N 2 1 368.522 0.532 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC000655958931 492497911 /nfs/dbraw/zinc/49/79/11/492497911.db2.gz PMSHWKIRQNGQDA-JLSDUUJJSA-N 2 1 371.485 0.969 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549862 492498046 /nfs/dbraw/zinc/49/80/46/492498046.db2.gz WWCSBHYTVAZUOU-DIECFANBSA-N 2 1 364.490 0.036 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643590319 492501667 /nfs/dbraw/zinc/50/16/67/492501667.db2.gz OHWVFFNSHNVNBH-RDJZCZTQSA-N 2 1 362.474 0.770 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656028692 492521218 /nfs/dbraw/zinc/52/12/18/492521218.db2.gz OTGUKGLILHLKQA-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335525 492537212 /nfs/dbraw/zinc/53/72/12/492537212.db2.gz IJRSMBMKFSZJGM-CABCVRRESA-N 2 1 367.444 0.953 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)cc2)CC1 ZINC000649350234 492543918 /nfs/dbraw/zinc/54/39/18/492543918.db2.gz SIGQVRZPQYOEEQ-QGZVFWFLSA-N 2 1 369.473 0.812 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000623635303 492576233 /nfs/dbraw/zinc/57/62/33/492576233.db2.gz CCEONANROKZEPQ-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CNC(=O)C[C@]1(O)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643818062 492576578 /nfs/dbraw/zinc/57/65/78/492576578.db2.gz HLEULKZFWJWJBQ-HXUWFJFHSA-N 2 1 361.486 0.982 20 0 FCADMP CNC(=O)C[C@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643818062 492576580 /nfs/dbraw/zinc/57/65/80/492576580.db2.gz HLEULKZFWJWJBQ-HXUWFJFHSA-N 2 1 361.486 0.982 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656299092 492577620 /nfs/dbraw/zinc/57/76/20/492577620.db2.gz XAHNSNQWMGDNES-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656299092 492577623 /nfs/dbraw/zinc/57/76/23/492577623.db2.gz XAHNSNQWMGDNES-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656299092 492577627 /nfs/dbraw/zinc/57/76/27/492577627.db2.gz XAHNSNQWMGDNES-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000656299369 492577699 /nfs/dbraw/zinc/57/76/99/492577699.db2.gz RGVHJKHMBUNZJP-DAYGRLMNSA-N 2 1 368.547 0.673 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000656311816 492585988 /nfs/dbraw/zinc/58/59/88/492585988.db2.gz PHJIQXMXQMFSEZ-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357580 492611403 /nfs/dbraw/zinc/61/14/03/492611403.db2.gz ZMLLTTGCJXWWCG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656357580 492611404 /nfs/dbraw/zinc/61/14/04/492611404.db2.gz ZMLLTTGCJXWWCG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656357580 492611407 /nfs/dbraw/zinc/61/14/07/492611407.db2.gz ZMLLTTGCJXWWCG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000656357790 492611658 /nfs/dbraw/zinc/61/16/58/492611658.db2.gz MBWLIIIEFZTQES-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1C ZINC000656357790 492611659 /nfs/dbraw/zinc/61/16/59/492611659.db2.gz MBWLIIIEFZTQES-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1C ZINC000656357790 492611662 /nfs/dbraw/zinc/61/16/62/492611662.db2.gz MBWLIIIEFZTQES-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1C ZINC000656357790 492611664 /nfs/dbraw/zinc/61/16/64/492611664.db2.gz MBWLIIIEFZTQES-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629575634 492653450 /nfs/dbraw/zinc/65/34/50/492653450.db2.gz OXSLFFXUPCIWFP-HNNXBMFYSA-N 2 1 350.463 0.654 20 0 FCADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629575634 492653452 /nfs/dbraw/zinc/65/34/52/492653452.db2.gz OXSLFFXUPCIWFP-HNNXBMFYSA-N 2 1 350.463 0.654 20 0 FCADMP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578852 492655492 /nfs/dbraw/zinc/65/54/92/492655492.db2.gz WAZRQLQXXPIBAN-UHFFFAOYSA-N 2 1 356.854 0.644 20 0 FCADMP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578852 492655497 /nfs/dbraw/zinc/65/54/97/492655497.db2.gz WAZRQLQXXPIBAN-UHFFFAOYSA-N 2 1 356.854 0.644 20 0 FCADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2 ZINC000629580787 492656588 /nfs/dbraw/zinc/65/65/88/492656588.db2.gz YYPRWSZSSSNECH-UHFFFAOYSA-N 2 1 351.447 0.496 20 0 FCADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2 ZINC000629580787 492656590 /nfs/dbraw/zinc/65/65/90/492656590.db2.gz YYPRWSZSSSNECH-UHFFFAOYSA-N 2 1 351.447 0.496 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000650629512 492656770 /nfs/dbraw/zinc/65/67/70/492656770.db2.gz KHWDIIINRALOQH-QGZVFWFLSA-N 2 1 362.474 0.587 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000650629512 492656772 /nfs/dbraw/zinc/65/67/72/492656772.db2.gz KHWDIIINRALOQH-QGZVFWFLSA-N 2 1 362.474 0.587 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629579445 492656898 /nfs/dbraw/zinc/65/68/98/492656898.db2.gz NXPVRUVETIKOPY-OAHLLOKOSA-N 2 1 350.463 0.336 20 0 FCADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650645140 492658727 /nfs/dbraw/zinc/65/87/27/492658727.db2.gz HROFSWFTKHGTBX-LJQANCHMSA-N 2 1 358.486 0.895 20 0 FCADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650645140 492658730 /nfs/dbraw/zinc/65/87/30/492658730.db2.gz HROFSWFTKHGTBX-LJQANCHMSA-N 2 1 358.486 0.895 20 0 FCADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650645140 492658735 /nfs/dbraw/zinc/65/87/35/492658735.db2.gz HROFSWFTKHGTBX-LJQANCHMSA-N 2 1 358.486 0.895 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650645140 492658739 /nfs/dbraw/zinc/65/87/39/492658739.db2.gz HROFSWFTKHGTBX-LJQANCHMSA-N 2 1 358.486 0.895 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624609935 492666214 /nfs/dbraw/zinc/66/62/14/492666214.db2.gz FRYAHJWZDUVNNK-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624609935 492666215 /nfs/dbraw/zinc/66/62/15/492666215.db2.gz FRYAHJWZDUVNNK-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629788193 492672134 /nfs/dbraw/zinc/67/21/34/492672134.db2.gz NAANAKLJLNJLDL-STQMWFEESA-N 2 1 364.412 0.526 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC[C@H]1[NH3+] ZINC000644226618 492673087 /nfs/dbraw/zinc/67/30/87/492673087.db2.gz OFKRRMYGZHGLAC-LSDHHAIUSA-N 2 1 354.495 0.141 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000629807746 492682236 /nfs/dbraw/zinc/68/22/36/492682236.db2.gz DAGXDGRMVKYOKC-ZWKOTPCHSA-N 2 1 374.485 0.153 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)Cc2ccccc2C1 ZINC000650911114 492683465 /nfs/dbraw/zinc/68/34/65/492683465.db2.gz FHDUUPZZXDGYHB-GOSISDBHSA-N 2 1 358.486 0.546 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)Cc2ccccc2C1 ZINC000650911114 492683468 /nfs/dbraw/zinc/68/34/68/492683468.db2.gz FHDUUPZZXDGYHB-GOSISDBHSA-N 2 1 358.486 0.546 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629812056 492685447 /nfs/dbraw/zinc/68/54/47/492685447.db2.gz FVKORDGXSDPUIC-QWHCGFSZSA-N 2 1 364.412 0.525 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629815305 492686015 /nfs/dbraw/zinc/68/60/15/492686015.db2.gz NSDWAUAITPZSDH-NJAFHUGGSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000644289946 492693225 /nfs/dbraw/zinc/69/32/25/492693225.db2.gz VZEUIMGAAZSJCC-BDXSIMOUSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000644289946 492693228 /nfs/dbraw/zinc/69/32/28/492693228.db2.gz VZEUIMGAAZSJCC-BDXSIMOUSA-N 2 1 368.522 0.630 20 0 FCADMP C[NH+](C)CCn1ncc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1-c1ccccc1 ZINC000629915980 492704724 /nfs/dbraw/zinc/70/47/24/492704724.db2.gz HVASMCQWPYWXMI-KRWDZBQOSA-N 2 1 371.485 0.908 20 0 FCADMP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000636950576 492735601 /nfs/dbraw/zinc/73/56/01/492735601.db2.gz WRHYLHVCCBBNGZ-CJNGLKHVSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636950576 492735603 /nfs/dbraw/zinc/73/56/03/492735603.db2.gz WRHYLHVCCBBNGZ-CJNGLKHVSA-N 2 1 350.467 0.990 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000636950427 492736033 /nfs/dbraw/zinc/73/60/33/492736033.db2.gz UWYUVYLHJPYLCS-RZFLPCETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000636950427 492736035 /nfs/dbraw/zinc/73/60/35/492736035.db2.gz UWYUVYLHJPYLCS-RZFLPCETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000636950427 492736038 /nfs/dbraw/zinc/73/60/38/492736038.db2.gz UWYUVYLHJPYLCS-RZFLPCETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000636950427 492736041 /nfs/dbraw/zinc/73/60/41/492736041.db2.gz UWYUVYLHJPYLCS-RZFLPCETSA-N 2 1 368.522 0.989 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630889248 492781828 /nfs/dbraw/zinc/78/18/28/492781828.db2.gz KESGAUSOKABCDY-MRXNPFEDSA-N 2 1 364.494 0.117 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644607615 492791122 /nfs/dbraw/zinc/79/11/22/492791122.db2.gz UEPJVSFAQUQQBD-IRXDYDNUSA-N 2 1 355.504 0.350 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644607615 492791128 /nfs/dbraw/zinc/79/11/28/492791128.db2.gz UEPJVSFAQUQQBD-IRXDYDNUSA-N 2 1 355.504 0.350 20 0 FCADMP CCn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000657833540 492800442 /nfs/dbraw/zinc/80/04/42/492800442.db2.gz GXOKGXLBLNDSTA-HNNXBMFYSA-N 2 1 364.494 0.716 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000637287807 492806090 /nfs/dbraw/zinc/80/60/90/492806090.db2.gz AULMACROTKLXGT-ROUUACIJSA-N 2 1 373.501 0.900 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377069 492815581 /nfs/dbraw/zinc/81/55/81/492815581.db2.gz VBHITJVESZQJMI-PMPSAXMXSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377069 492815587 /nfs/dbraw/zinc/81/55/87/492815587.db2.gz VBHITJVESZQJMI-PMPSAXMXSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377069 492815589 /nfs/dbraw/zinc/81/55/89/492815589.db2.gz VBHITJVESZQJMI-PMPSAXMXSA-N 2 1 353.511 0.840 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375720 492815823 /nfs/dbraw/zinc/81/58/23/492815823.db2.gz QGDGQHDXHMEYGK-XHSDSOJGSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375720 492815826 /nfs/dbraw/zinc/81/58/26/492815826.db2.gz QGDGQHDXHMEYGK-XHSDSOJGSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375720 492815829 /nfs/dbraw/zinc/81/58/29/492815829.db2.gz QGDGQHDXHMEYGK-XHSDSOJGSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000631742967 492846475 /nfs/dbraw/zinc/84/64/75/492846475.db2.gz JQNLXFMQPULYAP-IRXDYDNUSA-N 2 1 360.568 0.806 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000637819852 492870360 /nfs/dbraw/zinc/87/03/60/492870360.db2.gz RQTVOQPUZYCZGX-ROUUACIJSA-N 2 1 358.486 0.822 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCC[NH+]3CCOCC3)C2)C1 ZINC000652117798 492883008 /nfs/dbraw/zinc/88/30/08/492883008.db2.gz YWDNFZPFIWDAQY-BRWVUGGUSA-N 2 1 354.495 0.637 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC000652199067 492894867 /nfs/dbraw/zinc/89/48/67/492894867.db2.gz CHLQCYKSIJBTJL-WMZOPIPTSA-N 2 1 366.506 0.638 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000645365825 492898554 /nfs/dbraw/zinc/89/85/54/492898554.db2.gz KUYGLMKCDDWVCR-ZWKOTPCHSA-N 2 1 362.518 0.779 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000645365825 492898558 /nfs/dbraw/zinc/89/85/58/492898558.db2.gz KUYGLMKCDDWVCR-ZWKOTPCHSA-N 2 1 362.518 0.779 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638069540 492899990 /nfs/dbraw/zinc/89/99/90/492899990.db2.gz PTUUCNRTDMPWOZ-KBXCAEBGSA-N 2 1 362.474 0.246 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000638072323 492900232 /nfs/dbraw/zinc/90/02/32/492900232.db2.gz QPISNSAZCUHJAE-TXPKVOOTSA-N 2 1 360.458 0.842 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000638072323 492900234 /nfs/dbraw/zinc/90/02/34/492900234.db2.gz QPISNSAZCUHJAE-TXPKVOOTSA-N 2 1 360.458 0.842 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638078153 492900961 /nfs/dbraw/zinc/90/09/61/492900961.db2.gz DTQFILXCSWQEHH-LPHOPBHVSA-N 2 1 360.458 0.780 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638085578 492902259 /nfs/dbraw/zinc/90/22/59/492902259.db2.gz RIJAYXIQTIWFHO-UHFFFAOYSA-N 2 1 359.474 0.308 20 0 FCADMP COc1cccc([C@@H]([NH3+])C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000638097989 492904448 /nfs/dbraw/zinc/90/44/48/492904448.db2.gz YRKFCTVVRFXKJH-IAGOWNOFSA-N 2 1 362.474 0.754 20 0 FCADMP CC[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638133978 492913545 /nfs/dbraw/zinc/91/35/45/492913545.db2.gz JZIZZSINCLROCN-OALUTQOASA-N 2 1 360.502 0.687 20 0 FCADMP CC[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638133978 492913551 /nfs/dbraw/zinc/91/35/51/492913551.db2.gz JZIZZSINCLROCN-OALUTQOASA-N 2 1 360.502 0.687 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000638135131 492914036 /nfs/dbraw/zinc/91/40/36/492914036.db2.gz QHYMZALXVONOAW-DAYGRLMNSA-N 2 1 366.531 0.920 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363177 492916267 /nfs/dbraw/zinc/91/62/67/492916267.db2.gz ZNTFFLUYKXQZDZ-JQHSSLGASA-N 3 1 352.523 0.948 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363177 492916271 /nfs/dbraw/zinc/91/62/71/492916271.db2.gz ZNTFFLUYKXQZDZ-JQHSSLGASA-N 2 1 352.523 0.948 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141423 492916653 /nfs/dbraw/zinc/91/66/53/492916653.db2.gz UHTMOJIPFZJGTQ-HKUYNNGSSA-N 2 1 361.490 0.477 20 0 FCADMP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174598 492920464 /nfs/dbraw/zinc/92/04/64/492920464.db2.gz QPYFHFAKNJPVRY-MOPGFXCFSA-N 2 1 370.497 0.931 20 0 FCADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174598 492920470 /nfs/dbraw/zinc/92/04/70/492920470.db2.gz QPYFHFAKNJPVRY-MOPGFXCFSA-N 2 1 370.497 0.931 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632062632 492921642 /nfs/dbraw/zinc/92/16/42/492921642.db2.gz FIHOJVOYVZVKNL-UHFFFAOYSA-N 2 1 351.495 0.875 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000652390335 492922588 /nfs/dbraw/zinc/92/25/88/492922588.db2.gz JKJNKJNYNYEXPJ-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000632122238 492934111 /nfs/dbraw/zinc/93/41/11/492934111.db2.gz PILWGIVSDMVMRW-IRXDYDNUSA-N 2 1 358.552 0.370 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652471371 492943298 /nfs/dbraw/zinc/94/32/98/492943298.db2.gz CRTYYKZLJVGJBQ-KRWDZBQOSA-N 2 1 366.506 0.111 20 0 FCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632285862 492965501 /nfs/dbraw/zinc/96/55/01/492965501.db2.gz DTMVGIXJOOQPKU-INIZCTEOSA-N 2 1 359.536 0.987 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632285862 492965505 /nfs/dbraw/zinc/96/55/05/492965505.db2.gz DTMVGIXJOOQPKU-INIZCTEOSA-N 2 1 359.536 0.987 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000652547508 492966865 /nfs/dbraw/zinc/96/68/65/492966865.db2.gz LJFKHISOHFJCSS-LJQANCHMSA-N 2 1 350.507 0.875 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638835999 492981344 /nfs/dbraw/zinc/98/13/44/492981344.db2.gz PPMHQOKZLIDERA-AYBZRNKSSA-N 2 1 360.502 0.970 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638905399 492985515 /nfs/dbraw/zinc/98/55/15/492985515.db2.gz OLHWJCBTKGNXSI-KSSFIOAISA-N 2 1 354.458 0.957 20 0 FCADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925717 492988576 /nfs/dbraw/zinc/98/85/76/492988576.db2.gz MGKFIQAKLVJZHV-LSDHHAIUSA-N 2 1 361.490 0.819 20 0 FCADMP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1COCCN1CC(F)F ZINC000638985530 492990330 /nfs/dbraw/zinc/99/03/30/492990330.db2.gz KAEYDVVSHLLOQA-CYBMUJFWSA-N 2 1 355.389 0.396 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000652697007 492992600 /nfs/dbraw/zinc/99/26/00/492992600.db2.gz VSGUMDNCOAFEFH-QXAKKESOSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000652697007 492992603 /nfs/dbraw/zinc/99/26/03/492992603.db2.gz VSGUMDNCOAFEFH-QXAKKESOSA-N 2 1 372.513 0.876 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000645955911 492992638 /nfs/dbraw/zinc/99/26/38/492992638.db2.gz UELNKAYACNETBI-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000652695386 492992737 /nfs/dbraw/zinc/99/27/37/492992737.db2.gz SVPCACGSMTURBT-CUSZFKRNSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000652695386 492992739 /nfs/dbraw/zinc/99/27/39/492992739.db2.gz SVPCACGSMTURBT-CUSZFKRNSA-N 2 1 358.486 0.974 20 0 FCADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009585 493001160 /nfs/dbraw/zinc/00/11/60/493001160.db2.gz VOFCQQQCXGEVNE-HQSKLWIPSA-N 2 1 350.507 0.430 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652733949 493011063 /nfs/dbraw/zinc/01/10/63/493011063.db2.gz VDPAMBOAJIFWIF-VVLHAWIVSA-N 2 1 366.506 0.284 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000639517922 493016117 /nfs/dbraw/zinc/01/61/17/493016117.db2.gz SIIABKBNOWCYQJ-MRXNPFEDSA-N 2 1 366.421 0.861 20 0 FCADMP Cc1nc(CN2CCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000639547477 493018466 /nfs/dbraw/zinc/01/84/66/493018466.db2.gz WLCMPGICUFYXII-HXUWFJFHSA-N 2 1 370.501 0.868 20 0 FCADMP Cc1nc(CN2CCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000639547477 493018468 /nfs/dbraw/zinc/01/84/68/493018468.db2.gz WLCMPGICUFYXII-HXUWFJFHSA-N 2 1 370.501 0.868 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@H]2C1 ZINC000626811426 493025136 /nfs/dbraw/zinc/02/51/36/493025136.db2.gz DKYDJRPQVXGXKP-BBRMVZONSA-N 2 1 358.442 0.660 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[N@@H+]1C ZINC000626821304 493026599 /nfs/dbraw/zinc/02/65/99/493026599.db2.gz WTLGEUBFOAXMKX-INIZCTEOSA-N 2 1 360.458 0.906 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[N@H+]1C ZINC000626821304 493026601 /nfs/dbraw/zinc/02/66/01/493026601.db2.gz WTLGEUBFOAXMKX-INIZCTEOSA-N 2 1 360.458 0.906 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653113099 493073159 /nfs/dbraw/zinc/07/31/59/493073159.db2.gz SNKHZABWYYWGMM-KRWDZBQOSA-N 2 1 361.490 0.682 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)CCOCC[NH3+] ZINC000626980433 493074055 /nfs/dbraw/zinc/07/40/55/493074055.db2.gz FAEGYNAVLCJUMI-MRXNPFEDSA-N 2 1 364.494 0.209 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC1CC[NH2+]CC1 ZINC000653273356 493087722 /nfs/dbraw/zinc/08/77/22/493087722.db2.gz YVEJJYURXGPZDI-QGZVFWFLSA-N 2 1 366.506 0.206 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)[C@H]1CC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000632808285 493090866 /nfs/dbraw/zinc/09/08/66/493090866.db2.gz NFLDBXVGTSZNAT-ROUUACIJSA-N 2 1 360.502 0.769 20 0 FCADMP CC(C)N1CC[NH+](C2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000627187540 493104522 /nfs/dbraw/zinc/10/45/22/493104522.db2.gz GSSTYAISFPUOQU-INIZCTEOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000640446141 493107242 /nfs/dbraw/zinc/10/72/42/493107242.db2.gz RHMFSJGKWNBNAJ-CQSZACIVSA-N 2 1 350.467 0.680 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)CC2)c1 ZINC000627230403 493111793 /nfs/dbraw/zinc/11/17/93/493111793.db2.gz IFNIQSIYIXLALC-INIZCTEOSA-N 2 1 370.461 0.548 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658939527 493113583 /nfs/dbraw/zinc/11/35/83/493113583.db2.gz SIRIZGSAVPHDGT-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658939527 493113586 /nfs/dbraw/zinc/11/35/86/493113586.db2.gz SIRIZGSAVPHDGT-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000633076949 493115839 /nfs/dbraw/zinc/11/58/39/493115839.db2.gz SZBUDERBUYSKET-IRXDYDNUSA-N 2 1 372.469 0.302 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000633076949 493115843 /nfs/dbraw/zinc/11/58/43/493115843.db2.gz SZBUDERBUYSKET-IRXDYDNUSA-N 2 1 372.469 0.302 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000627251318 493117139 /nfs/dbraw/zinc/11/71/39/493117139.db2.gz GFEQADRYCZEVBC-MOPGFXCFSA-N 2 1 357.502 0.950 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000633080204 493117736 /nfs/dbraw/zinc/11/77/36/493117736.db2.gz BBOYEEPLUKIRRT-BZSNNMDCSA-N 2 1 356.470 0.682 20 0 FCADMP C[NH2+]Cc1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640868850 493141309 /nfs/dbraw/zinc/14/13/09/493141309.db2.gz JMDLGNBRLICRFC-UHFFFAOYSA-N 2 1 350.467 0.149 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C)C1 ZINC000646988967 493141759 /nfs/dbraw/zinc/14/17/59/493141759.db2.gz YNFGTIHPEDYTRX-YOEHRIQHSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312502 493146297 /nfs/dbraw/zinc/14/62/97/493146297.db2.gz ZXJLPHVXCKVTOD-HYVNUMGLSA-N 2 1 360.458 0.043 20 0 FCADMP CCCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647040891 493151943 /nfs/dbraw/zinc/15/19/43/493151943.db2.gz AOTKDDJVNUSWJZ-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000647040891 493151948 /nfs/dbraw/zinc/15/19/48/493151948.db2.gz AOTKDDJVNUSWJZ-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000647040891 493151952 /nfs/dbraw/zinc/15/19/52/493151952.db2.gz AOTKDDJVNUSWJZ-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000640955519 493153185 /nfs/dbraw/zinc/15/31/85/493153185.db2.gz JIJIHMYECDKFKJ-MSOLQXFVSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000640962042 493154049 /nfs/dbraw/zinc/15/40/49/493154049.db2.gz ZYLNSCHUAOBXIA-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000627335015 493158978 /nfs/dbraw/zinc/15/89/78/493158978.db2.gz ILMZBYDPHNEGIB-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659427992 493173872 /nfs/dbraw/zinc/17/38/72/493173872.db2.gz VPTXAOQOBJMKIB-CQSZACIVSA-N 2 1 356.430 0.715 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641214633 493180976 /nfs/dbraw/zinc/18/09/76/493180976.db2.gz GBPGLGPNDSYKBK-IBGZPJMESA-N 2 1 358.490 0.518 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000627368539 493182803 /nfs/dbraw/zinc/18/28/03/493182803.db2.gz XHUKAWUNKXHERU-UMVBOHGHSA-N 2 1 350.488 0.725 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659454179 493183596 /nfs/dbraw/zinc/18/35/96/493183596.db2.gz YHUGENAQEUOFES-KZNAEPCWSA-N 2 1 363.481 0.816 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC000659286508 493183862 /nfs/dbraw/zinc/18/38/62/493183862.db2.gz JIWKXWVTPJABOB-RCCFBDPRSA-N 2 1 363.506 0.505 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000627372323 493184293 /nfs/dbraw/zinc/18/42/93/493184293.db2.gz JYVBAYWFKRJVEZ-NQBHXWOUSA-N 2 1 364.412 0.571 20 0 FCADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@@H+](C)C3CC3)nn2)c1 ZINC000641222883 493184365 /nfs/dbraw/zinc/18/43/65/493184365.db2.gz OHJQPFBPVRKSHK-MRXNPFEDSA-N 2 1 358.446 0.558 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627379300 493187618 /nfs/dbraw/zinc/18/76/18/493187618.db2.gz IDECJSAUNRWBPC-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627379303 493187681 /nfs/dbraw/zinc/18/76/81/493187681.db2.gz IDECJSAUNRWBPC-NXHRZFHOSA-N 2 1 374.485 0.260 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659470733 493188969 /nfs/dbraw/zinc/18/89/69/493188969.db2.gz IKVYAHUYMDKLAH-CYBMUJFWSA-N 2 1 350.467 0.808 20 0 FCADMP Cc1cc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc(N2CCCC2)[nH+]1 ZINC000659494157 493196000 /nfs/dbraw/zinc/19/60/00/493196000.db2.gz PZXUDLSIJAVNNP-UHFFFAOYSA-N 2 1 371.445 0.944 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000672593304 493211626 /nfs/dbraw/zinc/21/16/26/493211626.db2.gz JIDFRFKGLPFVNK-WMLDXEAASA-N 2 1 364.465 0.973 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593304 493211630 /nfs/dbraw/zinc/21/16/30/493211630.db2.gz JIDFRFKGLPFVNK-WMLDXEAASA-N 2 1 364.465 0.973 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593304 493211631 /nfs/dbraw/zinc/21/16/31/493211631.db2.gz JIDFRFKGLPFVNK-WMLDXEAASA-N 2 1 364.465 0.973 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000681765321 493215540 /nfs/dbraw/zinc/21/55/40/493215540.db2.gz NRTOXEUOYZVRKT-PZJWPPBQSA-N 2 1 372.513 0.472 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000681765321 493215543 /nfs/dbraw/zinc/21/55/43/493215543.db2.gz NRTOXEUOYZVRKT-PZJWPPBQSA-N 2 1 372.513 0.472 20 0 FCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000681765320 493215604 /nfs/dbraw/zinc/21/56/04/493215604.db2.gz NRTOXEUOYZVRKT-FPOVZHCZSA-N 2 1 372.513 0.472 20 0 FCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000681765320 493215606 /nfs/dbraw/zinc/21/56/06/493215606.db2.gz NRTOXEUOYZVRKT-FPOVZHCZSA-N 2 1 372.513 0.472 20 0 FCADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659630560 493224447 /nfs/dbraw/zinc/22/44/47/493224447.db2.gz QVBMSGSJJVBFTN-UHFFFAOYSA-N 2 1 356.430 0.667 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000672698995 493236345 /nfs/dbraw/zinc/23/63/45/493236345.db2.gz VPWRMEZDFPRBJU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000672698995 493236348 /nfs/dbraw/zinc/23/63/48/493236348.db2.gz VPWRMEZDFPRBJU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@@H]2C1 ZINC000666961373 493242440 /nfs/dbraw/zinc/24/24/40/493242440.db2.gz MPCHEMPHPFJUGW-BLLLJJGKSA-N 2 1 360.433 0.963 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000659684879 493251628 /nfs/dbraw/zinc/25/16/28/493251628.db2.gz KMKRUENOOIVVCX-HUUCEWRRSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000659684879 493251631 /nfs/dbraw/zinc/25/16/31/493251631.db2.gz KMKRUENOOIVVCX-HUUCEWRRSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000659700173 493261592 /nfs/dbraw/zinc/26/15/92/493261592.db2.gz CRLIZGDJOILEDY-GZBFAFLISA-N 2 1 352.504 0.971 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672920381 493265981 /nfs/dbraw/zinc/26/59/81/493265981.db2.gz UVUCNKXQDOXQGP-HOTGVXAUSA-N 2 1 368.547 0.625 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672920381 493265977 /nfs/dbraw/zinc/26/59/77/493265977.db2.gz UVUCNKXQDOXQGP-HOTGVXAUSA-N 2 1 368.547 0.625 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000682092918 493268789 /nfs/dbraw/zinc/26/87/89/493268789.db2.gz DMHTZBKUSUXGKZ-PBHICJAKSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682092918 493268790 /nfs/dbraw/zinc/26/87/90/493268790.db2.gz DMHTZBKUSUXGKZ-PBHICJAKSA-N 2 1 362.474 0.565 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672984825 493276527 /nfs/dbraw/zinc/27/65/27/493276527.db2.gz LTMZRNIYSDHUOH-UHFFFAOYSA-N 2 1 355.527 0.111 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000659734736 493278705 /nfs/dbraw/zinc/27/87/05/493278705.db2.gz BRKQLNDRFUSVMR-HOCLYGCPSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000659738028 493279817 /nfs/dbraw/zinc/27/98/17/493279817.db2.gz YARHFAGVVKMMAY-LZWOXQAQSA-N 2 1 352.479 0.084 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659738446 493279865 /nfs/dbraw/zinc/27/98/65/493279865.db2.gz DUMYRVYEOXLAGP-LUKYLMHMSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)c2C1 ZINC000667399101 493282127 /nfs/dbraw/zinc/28/21/27/493282127.db2.gz BJYOGHQVFATCOM-GUYCJALGSA-N 2 1 360.458 0.925 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)c2C1 ZINC000667399101 493282129 /nfs/dbraw/zinc/28/21/29/493282129.db2.gz BJYOGHQVFATCOM-GUYCJALGSA-N 2 1 360.458 0.925 20 0 FCADMP CCC[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)S(N)(=O)=O ZINC000667812306 493303073 /nfs/dbraw/zinc/30/30/73/493303073.db2.gz JFJWZLMGCQEAGE-HUUCEWRRSA-N 2 1 362.540 0.318 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C1=CC[N@H+](C)CC1 ZINC000682347240 493292864 /nfs/dbraw/zinc/29/28/64/493292864.db2.gz NXTIDYLVBWOPDD-ZDUSSCGKSA-N 2 1 354.414 0.972 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C1=CC[N@@H+](C)CC1 ZINC000682347240 493292866 /nfs/dbraw/zinc/29/28/66/493292866.db2.gz NXTIDYLVBWOPDD-ZDUSSCGKSA-N 2 1 354.414 0.972 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000673275290 493309863 /nfs/dbraw/zinc/30/98/63/493309863.db2.gz DIYNOVVOFXMAJV-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673275290 493309867 /nfs/dbraw/zinc/30/98/67/493309867.db2.gz DIYNOVVOFXMAJV-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP CN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000682613286 493313831 /nfs/dbraw/zinc/31/38/31/493313831.db2.gz HLHFEOYPRKBWNT-QGZVFWFLSA-N 2 1 355.527 0.375 20 0 FCADMP CN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682613286 493313833 /nfs/dbraw/zinc/31/38/33/493313833.db2.gz HLHFEOYPRKBWNT-QGZVFWFLSA-N 2 1 355.527 0.375 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000660075160 493321844 /nfs/dbraw/zinc/32/18/44/493321844.db2.gz XACDSZGUJKXGTB-OTWHNJEPSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000660075160 493321846 /nfs/dbraw/zinc/32/18/46/493321846.db2.gz XACDSZGUJKXGTB-OTWHNJEPSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000660075160 493321849 /nfs/dbraw/zinc/32/18/49/493321849.db2.gz XACDSZGUJKXGTB-OTWHNJEPSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)(C)n1nnc(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000660166038 493331962 /nfs/dbraw/zinc/33/19/62/493331962.db2.gz YNAXRCFFYWMGKI-UHFFFAOYSA-N 2 1 352.483 0.130 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660638338 493368839 /nfs/dbraw/zinc/36/88/39/493368839.db2.gz JJBGZCDHYXEZLF-GOSISDBHSA-N 2 1 367.538 0.422 20 0 FCADMP CN1CCN(C)[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660638338 493368843 /nfs/dbraw/zinc/36/88/43/493368843.db2.gz JJBGZCDHYXEZLF-GOSISDBHSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538066 493372852 /nfs/dbraw/zinc/37/28/52/493372852.db2.gz SHWUJDKNAUPNJX-MRXNPFEDSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1C1CC1 ZINC000683870197 493375912 /nfs/dbraw/zinc/37/59/12/493375912.db2.gz DUODDMBHRSQBBA-UONOGXRCSA-N 2 1 374.489 0.830 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1C1CC1 ZINC000683870198 493375927 /nfs/dbraw/zinc/37/59/27/493375927.db2.gz DUODDMBHRSQBBA-ZIAGYGMSSA-N 2 1 374.489 0.830 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000660850843 493386076 /nfs/dbraw/zinc/38/60/76/493386076.db2.gz YYJVWFQVMFVBRA-WBVHZDCISA-N 2 1 354.495 0.507 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643410 493389398 /nfs/dbraw/zinc/38/93/98/493389398.db2.gz IXZXCCHXYOUUJM-SFHVURJKSA-N 2 1 374.485 0.168 20 0 FCADMP CN(CCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643410 493389400 /nfs/dbraw/zinc/38/94/00/493389400.db2.gz IXZXCCHXYOUUJM-SFHVURJKSA-N 2 1 374.485 0.168 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000668728081 493402000 /nfs/dbraw/zinc/40/20/00/493402000.db2.gz KTDGOFHYQAMPJM-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036559 493403985 /nfs/dbraw/zinc/40/39/85/493403985.db2.gz JZXWIHTYISDKMN-AEFFLSMTSA-N 2 1 367.538 0.565 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668751532 493405176 /nfs/dbraw/zinc/40/51/76/493405176.db2.gz WOUNRMVGBIXLPC-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668751532 493405178 /nfs/dbraw/zinc/40/51/78/493405178.db2.gz WOUNRMVGBIXLPC-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668751532 493405181 /nfs/dbraw/zinc/40/51/81/493405181.db2.gz WOUNRMVGBIXLPC-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674329336 493408782 /nfs/dbraw/zinc/40/87/82/493408782.db2.gz VEOPQOBIGXTUTB-UHFFFAOYSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000668893143 493430641 /nfs/dbraw/zinc/43/06/41/493430641.db2.gz MXUWFYXJAVRRCG-YOEHRIQHSA-N 2 1 350.507 0.824 20 0 FCADMP O=C1CC[C@@H]2C[N@@H+](C/C=C\C[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595788 493450109 /nfs/dbraw/zinc/45/01/09/493450109.db2.gz DYIFSUMIIDYSHG-ZUGRZTGBSA-N 2 1 360.502 0.744 20 0 FCADMP O=C1CC[C@@H]2C[NH+](C/C=C\C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595788 493450111 /nfs/dbraw/zinc/45/01/11/493450111.db2.gz DYIFSUMIIDYSHG-ZUGRZTGBSA-N 2 1 360.502 0.744 20 0 FCADMP O=C1CC[C@@H]2C[NH+](C/C=C\C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661595788 493450114 /nfs/dbraw/zinc/45/01/14/493450114.db2.gz DYIFSUMIIDYSHG-ZUGRZTGBSA-N 2 1 360.502 0.744 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000685310745 493474438 /nfs/dbraw/zinc/47/44/38/493474438.db2.gz IETOVUPLGULMDG-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000685310745 493474439 /nfs/dbraw/zinc/47/44/39/493474439.db2.gz IETOVUPLGULMDG-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000685310745 493474440 /nfs/dbraw/zinc/47/44/40/493474440.db2.gz IETOVUPLGULMDG-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336574 493477519 /nfs/dbraw/zinc/47/75/19/493477519.db2.gz GRUNROQJYMQCSI-SJORKVTESA-N 2 1 370.538 0.648 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336574 493477521 /nfs/dbraw/zinc/47/75/21/493477521.db2.gz GRUNROQJYMQCSI-SJORKVTESA-N 2 1 370.538 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252448 493483353 /nfs/dbraw/zinc/48/33/53/493483353.db2.gz LMJXWXBMGUSFEE-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000669252448 493483356 /nfs/dbraw/zinc/48/33/56/493483356.db2.gz LMJXWXBMGUSFEE-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000669252448 493483359 /nfs/dbraw/zinc/48/33/59/493483359.db2.gz LMJXWXBMGUSFEE-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252446 493483699 /nfs/dbraw/zinc/48/36/99/493483699.db2.gz LMJXWXBMGUSFEE-CVEARBPZSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000669252446 493483702 /nfs/dbraw/zinc/48/37/02/493483702.db2.gz LMJXWXBMGUSFEE-CVEARBPZSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000669252446 493483705 /nfs/dbraw/zinc/48/37/05/493483705.db2.gz LMJXWXBMGUSFEE-CVEARBPZSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000685520001 493500865 /nfs/dbraw/zinc/50/08/65/493500865.db2.gz BNBJIQSRSZYMHI-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367588 493501652 /nfs/dbraw/zinc/50/16/52/493501652.db2.gz POKQWKDGAQEFMT-WMZOPIPTSA-N 2 1 361.490 0.485 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000685595112 493504714 /nfs/dbraw/zinc/50/47/14/493504714.db2.gz FUMHGMUHVBRMOT-ROUUACIJSA-N 2 1 369.531 0.883 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000685595112 493504717 /nfs/dbraw/zinc/50/47/17/493504717.db2.gz FUMHGMUHVBRMOT-ROUUACIJSA-N 2 1 369.531 0.883 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000669486292 493506670 /nfs/dbraw/zinc/50/66/70/493506670.db2.gz SXALZXAHDGFCPU-QZWWFDLISA-N 2 1 356.511 0.881 20 0 FCADMP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486516 493506713 /nfs/dbraw/zinc/50/67/13/493506713.db2.gz TYASLZMHXLQTML-ROUUACIJSA-N 2 1 367.538 0.600 20 0 FCADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486514 493506942 /nfs/dbraw/zinc/50/69/42/493506942.db2.gz TYASLZMHXLQTML-MSOLQXFVSA-N 2 1 367.538 0.600 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491350 493507761 /nfs/dbraw/zinc/50/77/61/493507761.db2.gz WGOGLINCBAKEGJ-SJORKVTESA-N 2 1 363.506 0.324 20 0 FCADMP CS(=O)(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675898690 493511155 /nfs/dbraw/zinc/51/11/55/493511155.db2.gz XBPOIIAKWXOYHY-SFHVURJKSA-N 2 1 367.515 0.637 20 0 FCADMP CS(=O)(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675898690 493511157 /nfs/dbraw/zinc/51/11/57/493511157.db2.gz XBPOIIAKWXOYHY-SFHVURJKSA-N 2 1 367.515 0.637 20 0 FCADMP CC[C@@H]([NH2+]C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662396426 493512265 /nfs/dbraw/zinc/51/22/65/493512265.db2.gz AMKXJXQUMUGDBW-QGZVFWFLSA-N 2 1 362.474 0.962 20 0 FCADMP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000669609993 493514039 /nfs/dbraw/zinc/51/40/39/493514039.db2.gz SYQVLJRRWBFCPT-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000669609993 493514042 /nfs/dbraw/zinc/51/40/42/493514042.db2.gz SYQVLJRRWBFCPT-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000676001468 493517862 /nfs/dbraw/zinc/51/78/62/493517862.db2.gz KIBVWBZSQAWTOH-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP Cc1c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662507406 493522025 /nfs/dbraw/zinc/52/20/25/493522025.db2.gz MQHNZPSJPMMLLC-OAHLLOKOSA-N 2 1 364.494 0.551 20 0 FCADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662553727 493525696 /nfs/dbraw/zinc/52/56/96/493525696.db2.gz KPRNBOXVQQRCIJ-AWEZNQCLSA-N 2 1 361.446 0.178 20 0 FCADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC000662560577 493526117 /nfs/dbraw/zinc/52/61/17/493526117.db2.gz JQEPYZLSTYWMNX-GOEBONIOSA-N 2 1 370.457 0.916 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717603 493534175 /nfs/dbraw/zinc/53/41/75/493534175.db2.gz PVSCSVCSUUJTEV-KURKYZTESA-N 2 1 374.485 0.364 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662753132 493538478 /nfs/dbraw/zinc/53/84/78/493538478.db2.gz NTLFQYBHHFVMCR-ROUUACIJSA-N 2 1 374.485 0.696 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000662757458 493539591 /nfs/dbraw/zinc/53/95/91/493539591.db2.gz MQMUXSAYEYDFNC-IRXDYDNUSA-N 2 1 366.893 0.942 20 0 FCADMP [NH3+][C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1F ZINC000662771854 493540625 /nfs/dbraw/zinc/54/06/25/493540625.db2.gz BTXMKWOCXQRNJY-QWHCGFSZSA-N 2 1 366.334 0.917 20 0 FCADMP [NH3+][C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1F ZINC000662771848 493540656 /nfs/dbraw/zinc/54/06/56/493540656.db2.gz BTXMKWOCXQRNJY-CHWSQXEVSA-N 2 1 366.334 0.917 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662787300 493542167 /nfs/dbraw/zinc/54/21/67/493542167.db2.gz MGNJTDCPEILMPE-OAHLLOKOSA-N 2 1 350.467 0.387 20 0 FCADMP CS(=O)(=O)C1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000662877154 493548639 /nfs/dbraw/zinc/54/86/39/493548639.db2.gz FWRGUVIYOUYGBS-CQSZACIVSA-N 2 1 357.520 0.676 20 0 FCADMP CS(=O)(=O)C1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000662877154 493548640 /nfs/dbraw/zinc/54/86/40/493548640.db2.gz FWRGUVIYOUYGBS-CQSZACIVSA-N 2 1 357.520 0.676 20 0 FCADMP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899111 493550136 /nfs/dbraw/zinc/55/01/36/493550136.db2.gz BKEZIXLFTFDJMY-GOSISDBHSA-N 2 1 374.533 0.589 20 0 FCADMP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899111 493550137 /nfs/dbraw/zinc/55/01/37/493550137.db2.gz BKEZIXLFTFDJMY-GOSISDBHSA-N 2 1 374.533 0.589 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000662925088 493554559 /nfs/dbraw/zinc/55/45/59/493554559.db2.gz KBWWWEZBBOLFIQ-UHFFFAOYSA-N 2 1 352.504 0.631 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000662953551 493560088 /nfs/dbraw/zinc/56/00/88/493560088.db2.gz KHAKSASESKBNSK-ROUUACIJSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662954223 493560544 /nfs/dbraw/zinc/56/05/44/493560544.db2.gz SXMVTPAQIGVTBY-WDSOQIARSA-N 2 1 372.513 0.958 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085100 493570260 /nfs/dbraw/zinc/57/02/60/493570260.db2.gz MALIYYAVPRHFLR-RHSMWYFYSA-N 2 1 362.474 0.830 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1C[NH+](C)C ZINC000663085100 493570262 /nfs/dbraw/zinc/57/02/62/493570262.db2.gz MALIYYAVPRHFLR-RHSMWYFYSA-N 2 1 362.474 0.830 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000670509456 493576130 /nfs/dbraw/zinc/57/61/30/493576130.db2.gz BYJVOVXMTBPOKM-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363042 493585683 /nfs/dbraw/zinc/58/56/83/493585683.db2.gz GNGXDCORCGIBPD-CVEARBPZSA-N 2 1 373.453 0.486 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000670671328 493587575 /nfs/dbraw/zinc/58/75/75/493587575.db2.gz OQQNFKQCWDSFIQ-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000670671328 493587576 /nfs/dbraw/zinc/58/75/76/493587576.db2.gz OQQNFKQCWDSFIQ-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000670671328 493587577 /nfs/dbraw/zinc/58/75/77/493587577.db2.gz OQQNFKQCWDSFIQ-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@H](C)C2)CC1=O ZINC000677175779 493588101 /nfs/dbraw/zinc/58/81/01/493588101.db2.gz JODGYIXRTRZYIL-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)[C@H](C)C2)CC1=O ZINC000677175779 493588102 /nfs/dbraw/zinc/58/81/02/493588102.db2.gz JODGYIXRTRZYIL-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)[C@H](C)C2)CC1=O ZINC000677175779 493588103 /nfs/dbraw/zinc/58/81/03/493588103.db2.gz JODGYIXRTRZYIL-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@@H](C)C2)CC1=O ZINC000677175778 493588141 /nfs/dbraw/zinc/58/81/41/493588141.db2.gz JODGYIXRTRZYIL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)[C@@H](C)C2)CC1=O ZINC000677175778 493588142 /nfs/dbraw/zinc/58/81/42/493588142.db2.gz JODGYIXRTRZYIL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CC1=O ZINC000677175778 493588143 /nfs/dbraw/zinc/58/81/43/493588143.db2.gz JODGYIXRTRZYIL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670977354 493617575 /nfs/dbraw/zinc/61/75/75/493617575.db2.gz JGQKUNFHDOULHV-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670977354 493617578 /nfs/dbraw/zinc/61/75/78/493617578.db2.gz JGQKUNFHDOULHV-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670977354 493617580 /nfs/dbraw/zinc/61/75/80/493617580.db2.gz JGQKUNFHDOULHV-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670977354 493617582 /nfs/dbraw/zinc/61/75/82/493617582.db2.gz JGQKUNFHDOULHV-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000670983748 493619871 /nfs/dbraw/zinc/61/98/71/493619871.db2.gz JJZIWPNCCCHHNQ-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000670983749 493619996 /nfs/dbraw/zinc/61/99/96/493619996.db2.gz JJZIWPNCCCHHNQ-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000670988798 493620466 /nfs/dbraw/zinc/62/04/66/493620466.db2.gz YZAVMGOQGMRGNT-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000670988798 493620469 /nfs/dbraw/zinc/62/04/69/493620469.db2.gz YZAVMGOQGMRGNT-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670988798 493620471 /nfs/dbraw/zinc/62/04/71/493620471.db2.gz YZAVMGOQGMRGNT-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670988798 493620474 /nfs/dbraw/zinc/62/04/74/493620474.db2.gz YZAVMGOQGMRGNT-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000670990280 493621214 /nfs/dbraw/zinc/62/12/14/493621214.db2.gz PJQUUWFNIPIGKJ-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000670990280 493621215 /nfs/dbraw/zinc/62/12/15/493621215.db2.gz PJQUUWFNIPIGKJ-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000670990280 493621218 /nfs/dbraw/zinc/62/12/18/493621218.db2.gz PJQUUWFNIPIGKJ-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670990280 493621221 /nfs/dbraw/zinc/62/12/21/493621221.db2.gz PJQUUWFNIPIGKJ-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671030852 493623969 /nfs/dbraw/zinc/62/39/69/493623969.db2.gz NEEZJTRNEHYDRU-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000671033540 493625130 /nfs/dbraw/zinc/62/51/30/493625130.db2.gz XFUMZLIAWFXJHV-ULQDDVLXSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000671033540 493625133 /nfs/dbraw/zinc/62/51/33/493625133.db2.gz XFUMZLIAWFXJHV-ULQDDVLXSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000671033540 493625135 /nfs/dbraw/zinc/62/51/35/493625135.db2.gz XFUMZLIAWFXJHV-ULQDDVLXSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671033540 493625138 /nfs/dbraw/zinc/62/51/38/493625138.db2.gz XFUMZLIAWFXJHV-ULQDDVLXSA-N 2 1 368.522 0.593 20 0 FCADMP CN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664002543 493629672 /nfs/dbraw/zinc/62/96/72/493629672.db2.gz KQEGJVQLUKAIEL-BZUAXINKSA-N 2 1 352.479 0.260 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103792 493634316 /nfs/dbraw/zinc/63/43/16/493634316.db2.gz IYVMTPAHELBXIW-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671104239 493634431 /nfs/dbraw/zinc/63/44/31/493634431.db2.gz SSZVMCOKIMJPPA-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104484 493634963 /nfs/dbraw/zinc/63/49/63/493634963.db2.gz JBMYGUXHPAQKTM-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104484 493634964 /nfs/dbraw/zinc/63/49/64/493634964.db2.gz JBMYGUXHPAQKTM-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104484 493634965 /nfs/dbraw/zinc/63/49/65/493634965.db2.gz JBMYGUXHPAQKTM-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671108381 493636701 /nfs/dbraw/zinc/63/67/01/493636701.db2.gz XTPUUIWRUAQBTC-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108381 493636702 /nfs/dbraw/zinc/63/67/02/493636702.db2.gz XTPUUIWRUAQBTC-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108381 493636703 /nfs/dbraw/zinc/63/67/03/493636703.db2.gz XTPUUIWRUAQBTC-YYIAUSFCSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181564 493642449 /nfs/dbraw/zinc/64/24/49/493642449.db2.gz KNTIRTRQWRIYRN-KBPBESRZSA-N 2 1 353.467 0.500 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000671181819 493648096 /nfs/dbraw/zinc/64/80/96/493648096.db2.gz QPUPVFFVJLQMBU-DLBZAZTESA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000671181819 493648097 /nfs/dbraw/zinc/64/80/97/493648097.db2.gz QPUPVFFVJLQMBU-DLBZAZTESA-N 2 1 371.485 0.782 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000671404255 493666377 /nfs/dbraw/zinc/66/63/77/493666377.db2.gz CYKIYWBQDVTJDK-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671404255 493666379 /nfs/dbraw/zinc/66/63/79/493666379.db2.gz CYKIYWBQDVTJDK-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671404255 493666380 /nfs/dbraw/zinc/66/63/80/493666380.db2.gz CYKIYWBQDVTJDK-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000679499842 493682999 /nfs/dbraw/zinc/68/29/99/493682999.db2.gz NPGZHNWFMOIIBD-LSDHHAIUSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000679499842 493683002 /nfs/dbraw/zinc/68/30/02/493683002.db2.gz NPGZHNWFMOIIBD-LSDHHAIUSA-N 2 1 354.414 0.949 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000679509726 493685068 /nfs/dbraw/zinc/68/50/68/493685068.db2.gz PWKSLSAFEJYMPO-OLZOCXBDSA-N 2 1 354.414 0.947 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000679509726 493685070 /nfs/dbraw/zinc/68/50/70/493685070.db2.gz PWKSLSAFEJYMPO-OLZOCXBDSA-N 2 1 354.414 0.947 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271270 493707988 /nfs/dbraw/zinc/70/79/88/493707988.db2.gz KNGSOEKUZSDMIA-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872630 493709694 /nfs/dbraw/zinc/70/96/94/493709694.db2.gz AHZQOHKUOGJKEM-WBVHZDCISA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000680224001 493710802 /nfs/dbraw/zinc/71/08/02/493710802.db2.gz UAUCMISZRSFSFW-PHZGNYQRSA-N 2 1 354.495 0.202 20 0 FCADMP CO[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000680224001 493710804 /nfs/dbraw/zinc/71/08/04/493710804.db2.gz UAUCMISZRSFSFW-PHZGNYQRSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000671960859 493718539 /nfs/dbraw/zinc/71/85/39/493718539.db2.gz KRJJTACDCZTMLP-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000671960856 493718587 /nfs/dbraw/zinc/71/85/87/493718587.db2.gz IVFUYBSSYCRYRJ-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000672003596 493723421 /nfs/dbraw/zinc/72/34/21/493723421.db2.gz HJTWNDYJJNDGJS-UHFFFAOYSA-N 2 1 368.503 0.087 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000672008783 493724219 /nfs/dbraw/zinc/72/42/19/493724219.db2.gz WAZGZWVATHFAAW-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C1CC[NH+](C)CC1 ZINC000672012780 493724731 /nfs/dbraw/zinc/72/47/31/493724731.db2.gz WJDOJSJBINTSRD-XIRDDKMYSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@H]2C1 ZINC000672241719 493745982 /nfs/dbraw/zinc/74/59/82/493745982.db2.gz KSBBUXNTLWNFNE-NEPJUHHUSA-N 2 1 373.379 0.614 20 0 FCADMP CN1CC[C@@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@H]2C1 ZINC000672241719 493745984 /nfs/dbraw/zinc/74/59/84/493745984.db2.gz KSBBUXNTLWNFNE-NEPJUHHUSA-N 2 1 373.379 0.614 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304045 493752310 /nfs/dbraw/zinc/75/23/10/493752310.db2.gz FXTGUIHMWUGUQB-SJORKVTESA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304045 493752312 /nfs/dbraw/zinc/75/23/12/493752312.db2.gz FXTGUIHMWUGUQB-SJORKVTESA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304045 493752316 /nfs/dbraw/zinc/75/23/16/493752316.db2.gz FXTGUIHMWUGUQB-SJORKVTESA-N 2 1 350.507 0.681 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308021 493753529 /nfs/dbraw/zinc/75/35/29/493753529.db2.gz WLMCRBSSFMLWSP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672308021 493753531 /nfs/dbraw/zinc/75/35/31/493753531.db2.gz WLMCRBSSFMLWSP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672308021 493753532 /nfs/dbraw/zinc/75/35/32/493753532.db2.gz WLMCRBSSFMLWSP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000410727412 527828578 /nfs/dbraw/zinc/82/85/78/527828578.db2.gz BANYIAGHTHGCGJ-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000410727412 527828582 /nfs/dbraw/zinc/82/85/82/527828582.db2.gz BANYIAGHTHGCGJ-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000410727412 527828588 /nfs/dbraw/zinc/82/85/88/527828588.db2.gz BANYIAGHTHGCGJ-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000410727412 527828591 /nfs/dbraw/zinc/82/85/91/527828591.db2.gz BANYIAGHTHGCGJ-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410696625 527845529 /nfs/dbraw/zinc/84/55/29/527845529.db2.gz ICQSDHQNHRVREI-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410696625 527845533 /nfs/dbraw/zinc/84/55/33/527845533.db2.gz ICQSDHQNHRVREI-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410696612 527846163 /nfs/dbraw/zinc/84/61/63/527846163.db2.gz IANRBOQJDTZIST-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410696612 527846170 /nfs/dbraw/zinc/84/61/70/527846170.db2.gz IANRBOQJDTZIST-IAGOWNOFSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410911947 528065027 /nfs/dbraw/zinc/06/50/27/528065027.db2.gz SONRTDJIRQXOHY-KRWDZBQOSA-N 2 1 368.522 0.357 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000264033483 528083625 /nfs/dbraw/zinc/08/36/25/528083625.db2.gz CUXVFHLKNSFFQS-UHFFFAOYSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410940129 528249025 /nfs/dbraw/zinc/24/90/25/528249025.db2.gz ZFZZPQMIBZBFRO-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410940129 528249028 /nfs/dbraw/zinc/24/90/28/528249028.db2.gz ZFZZPQMIBZBFRO-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000410727353 528714716 /nfs/dbraw/zinc/71/47/16/528714716.db2.gz ASTNTWPUVSJXNT-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC[N@H+]1C ZINC000410727353 528714720 /nfs/dbraw/zinc/71/47/20/528714720.db2.gz ASTNTWPUVSJXNT-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000410727353 528714723 /nfs/dbraw/zinc/71/47/23/528714723.db2.gz ASTNTWPUVSJXNT-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC[NH+]1C ZINC000410727353 528714728 /nfs/dbraw/zinc/71/47/28/528714728.db2.gz ASTNTWPUVSJXNT-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000410721628 528716479 /nfs/dbraw/zinc/71/64/79/528716479.db2.gz XETLOKUOTPICBQ-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000410721628 528716484 /nfs/dbraw/zinc/71/64/84/528716484.db2.gz XETLOKUOTPICBQ-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000410489945 528716831 /nfs/dbraw/zinc/71/68/31/528716831.db2.gz BERASPZDTHEFFH-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000410489945 528716834 /nfs/dbraw/zinc/71/68/34/528716834.db2.gz BERASPZDTHEFFH-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410697657 528738318 /nfs/dbraw/zinc/73/83/18/528738318.db2.gz LPEQBXLXVNFOMJ-KRWDZBQOSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410697657 528738323 /nfs/dbraw/zinc/73/83/23/528738323.db2.gz LPEQBXLXVNFOMJ-KRWDZBQOSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000410694866 528741365 /nfs/dbraw/zinc/74/13/65/528741365.db2.gz DNWRDHDNIDFEFK-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000410694866 528741371 /nfs/dbraw/zinc/74/13/71/528741371.db2.gz DNWRDHDNIDFEFK-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410694866 528741374 /nfs/dbraw/zinc/74/13/74/528741374.db2.gz DNWRDHDNIDFEFK-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410694866 528741382 /nfs/dbraw/zinc/74/13/82/528741382.db2.gz DNWRDHDNIDFEFK-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000412479626 528991824 /nfs/dbraw/zinc/99/18/24/528991824.db2.gz RQYSHOLZRBGFPJ-QGZVFWFLSA-N 2 1 352.523 0.774 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413268089 528999890 /nfs/dbraw/zinc/99/98/90/528999890.db2.gz QMEPZKHIXUBCDR-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413268089 528999893 /nfs/dbraw/zinc/99/98/93/528999893.db2.gz QMEPZKHIXUBCDR-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782093 529070951 /nfs/dbraw/zinc/07/09/51/529070951.db2.gz KWKNUWWHUKSMAA-OAHLLOKOSA-N 2 1 374.493 0.682 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419695578 535072232 /nfs/dbraw/zinc/07/22/32/535072232.db2.gz LAHDWQDVRZPFFK-HZPDHXFCSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419688440 535072534 /nfs/dbraw/zinc/07/25/34/535072534.db2.gz AQAJMHNFOVLMLV-BRWVUGGUSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419130128 535075522 /nfs/dbraw/zinc/07/55/22/535075522.db2.gz AQMCLELXEUIHSR-LPHOPBHVSA-N 2 1 350.507 0.683 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419153716 535075551 /nfs/dbraw/zinc/07/55/51/535075551.db2.gz PGAVKNGOWKPWHR-KRWDZBQOSA-N 2 1 350.507 0.897 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419906426 535159133 /nfs/dbraw/zinc/15/91/33/535159133.db2.gz CCNFWIYTLVWAQW-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000419869197 535426304 /nfs/dbraw/zinc/42/63/04/535426304.db2.gz JHOYQZLVGPMVFN-UYSNPLJNSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000419869197 535426307 /nfs/dbraw/zinc/42/63/07/535426307.db2.gz JHOYQZLVGPMVFN-UYSNPLJNSA-N 2 1 354.495 0.332 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419591400 535478796 /nfs/dbraw/zinc/47/87/96/535478796.db2.gz QZDXXDHCJZLHBI-FGTMMUONSA-N 2 1 358.486 0.930 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000415179732 535479714 /nfs/dbraw/zinc/47/97/14/535479714.db2.gz DULWJSNSIYMQEN-OAHLLOKOSA-N 2 1 362.474 0.650 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419514573 535509873 /nfs/dbraw/zinc/50/98/73/535509873.db2.gz OYERNTXDFHYQEB-UKRRQHHQSA-N 2 1 350.463 0.955 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1=O ZINC000424029251 535553811 /nfs/dbraw/zinc/55/38/11/535553811.db2.gz ZEBNRHBLFGOCCY-YLFCFFPRSA-N 2 1 350.507 0.763 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419945038 535597593 /nfs/dbraw/zinc/59/75/93/535597593.db2.gz BWPMGHCGVNXXCN-WBVHZDCISA-N 2 1 361.490 0.606 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419829365 535710468 /nfs/dbraw/zinc/71/04/68/535710468.db2.gz PRSODWHDZVFDMY-WBVHZDCISA-N 2 1 367.538 0.010 20 0 FCADMP C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442773665 536303723 /nfs/dbraw/zinc/30/37/23/536303723.db2.gz XRIZAFFJRMFOHU-SJPCQFCGSA-N 2 1 358.490 0.730 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442601524 536347709 /nfs/dbraw/zinc/34/77/09/536347709.db2.gz RJXXXAWISOCGIW-UHFFFAOYSA-N 2 1 368.570 0.291 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442601524 536347712 /nfs/dbraw/zinc/34/77/12/536347712.db2.gz RJXXXAWISOCGIW-UHFFFAOYSA-N 2 1 368.570 0.291 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442601524 536347715 /nfs/dbraw/zinc/34/77/15/536347715.db2.gz RJXXXAWISOCGIW-UHFFFAOYSA-N 2 1 368.570 0.291 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423480754 536368257 /nfs/dbraw/zinc/36/82/57/536368257.db2.gz PQZFIMOOQCLKQY-FGTMMUONSA-N 2 1 356.470 0.397 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419400134 536369033 /nfs/dbraw/zinc/36/90/33/536369033.db2.gz LHVHMLIVEZLFAI-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419771519 536481199 /nfs/dbraw/zinc/48/11/99/536481199.db2.gz XSOHOMBHNVKKCX-ROUUACIJSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419786856 536481552 /nfs/dbraw/zinc/48/15/52/536481552.db2.gz ZJDDBOYCOHPHIU-MSOLQXFVSA-N 2 1 358.486 0.881 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423721122 536776110 /nfs/dbraw/zinc/77/61/10/536776110.db2.gz ONZCZOVUTCHGAP-OAHLLOKOSA-N 2 1 356.511 0.389 20 0 FCADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472017 546650451 /nfs/dbraw/zinc/65/04/51/546650451.db2.gz DEKZOLZPCHRNIK-ZDUSSCGKSA-N 2 1 351.426 0.699 20 0 FCADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472017 546650457 /nfs/dbraw/zinc/65/04/57/546650457.db2.gz DEKZOLZPCHRNIK-ZDUSSCGKSA-N 2 1 351.426 0.699 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000593729665 546746336 /nfs/dbraw/zinc/74/63/36/546746336.db2.gz HWDWPCUISVZQCN-UTUOFQBUSA-N 2 1 366.384 0.735 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735992 546747605 /nfs/dbraw/zinc/74/76/05/546747605.db2.gz CYBZKCMWBKCECH-UTUOFQBUSA-N 2 1 366.384 0.593 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736267 546747670 /nfs/dbraw/zinc/74/76/70/546747670.db2.gz KWUFSMJDZJFEBM-IIAWOOMASA-N 2 1 352.479 0.973 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@@H+]1C[C@H](C)O ZINC000433406294 546922917 /nfs/dbraw/zinc/92/29/17/546922917.db2.gz NNKDUJADXWJFAE-ZNMIVQPWSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@H+]1C[C@H](C)O ZINC000433406294 546922921 /nfs/dbraw/zinc/92/29/21/546922921.db2.gz NNKDUJADXWJFAE-ZNMIVQPWSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715689 546928632 /nfs/dbraw/zinc/92/86/32/546928632.db2.gz JXMPXUTUCIJIRF-SJORKVTESA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCCO1 ZINC000458715689 546928637 /nfs/dbraw/zinc/92/86/37/546928637.db2.gz JXMPXUTUCIJIRF-SJORKVTESA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CCCO1 ZINC000458715689 546928642 /nfs/dbraw/zinc/92/86/42/546928642.db2.gz JXMPXUTUCIJIRF-SJORKVTESA-N 2 1 356.511 0.633 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC[S@](=O)C1 ZINC000475119895 546938061 /nfs/dbraw/zinc/93/80/61/546938061.db2.gz QAOYYSVEIFKNKN-MQNRADLISA-N 2 1 365.503 0.414 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000545176803 547030814 /nfs/dbraw/zinc/03/08/14/547030814.db2.gz RLLDZQALRYUTBN-UHFFFAOYSA-N 2 1 351.495 0.444 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000545176803 547030815 /nfs/dbraw/zinc/03/08/15/547030815.db2.gz RLLDZQALRYUTBN-UHFFFAOYSA-N 2 1 351.495 0.444 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000550097052 547077790 /nfs/dbraw/zinc/07/77/90/547077790.db2.gz RZJTYIHJAQVXQY-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784064 547105156 /nfs/dbraw/zinc/10/51/56/547105156.db2.gz COVHWFVMADGHHH-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550784064 547105160 /nfs/dbraw/zinc/10/51/60/547105160.db2.gz COVHWFVMADGHHH-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550784064 547105163 /nfs/dbraw/zinc/10/51/63/547105163.db2.gz COVHWFVMADGHHH-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550900122 547113352 /nfs/dbraw/zinc/11/33/52/547113352.db2.gz KCYNDDKEGCCSRU-CQSZACIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550902977 547113449 /nfs/dbraw/zinc/11/34/49/547113449.db2.gz XDJUWZOAJPBUQV-HUUCEWRRSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903874 547114029 /nfs/dbraw/zinc/11/40/29/547114029.db2.gz LARHLENHJVOUFE-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550903874 547114034 /nfs/dbraw/zinc/11/40/34/547114034.db2.gz LARHLENHJVOUFE-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550903874 547114038 /nfs/dbraw/zinc/11/40/38/547114038.db2.gz LARHLENHJVOUFE-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551214907 547134151 /nfs/dbraw/zinc/13/41/51/547134151.db2.gz IPIUEMVUZSDVSS-WMLDXEAASA-N 2 1 356.536 0.531 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551216967 547135906 /nfs/dbraw/zinc/13/59/06/547135906.db2.gz GNWMGBYSOHQLKL-CRAIPNDOSA-N 2 1 370.563 0.873 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176148 547193226 /nfs/dbraw/zinc/19/32/26/547193226.db2.gz YNFYCNRBDKREOA-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552176148 547193233 /nfs/dbraw/zinc/19/32/33/547193233.db2.gz YNFYCNRBDKREOA-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552176148 547193241 /nfs/dbraw/zinc/19/32/41/547193241.db2.gz YNFYCNRBDKREOA-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000552856635 547235720 /nfs/dbraw/zinc/23/57/20/547235720.db2.gz NHCUWCKDBGFVEE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553050618 547248970 /nfs/dbraw/zinc/24/89/70/547248970.db2.gz XZUTYHJNUDQOOJ-AWEZNQCLSA-N 2 1 351.499 0.038 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553050618 547248975 /nfs/dbraw/zinc/24/89/75/547248975.db2.gz XZUTYHJNUDQOOJ-AWEZNQCLSA-N 2 1 351.499 0.038 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000141475282 568295618 /nfs/dbraw/zinc/29/56/18/568295618.db2.gz NNUPQKFPAQIOLV-IAGOWNOFSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000141475282 568295619 /nfs/dbraw/zinc/29/56/19/568295619.db2.gz NNUPQKFPAQIOLV-IAGOWNOFSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000141475282 568295620 /nfs/dbraw/zinc/29/56/20/568295620.db2.gz NNUPQKFPAQIOLV-IAGOWNOFSA-N 2 1 363.506 0.419 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+](C[C@@H](C)O)CCO3)CC[N@H+]1C ZINC000949370321 674403038 /nfs/dbraw/zinc/40/30/38/674403038.db2.gz PHHCOOIDNBVYKX-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@H+](C[C@@H](C)O)CCO3)CC[NH+]1C ZINC000949370321 674403040 /nfs/dbraw/zinc/40/30/40/674403040.db2.gz PHHCOOIDNBVYKX-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@@H+](C[C@@H](C)O)CCO3)CC[NH+]1C ZINC000949370321 674403041 /nfs/dbraw/zinc/40/30/41/674403041.db2.gz PHHCOOIDNBVYKX-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737498393 598530668 /nfs/dbraw/zinc/53/06/68/598530668.db2.gz FHMKFASSSFZEQQ-DGCLKSJQSA-N 2 1 356.438 0.536 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408570 674496559 /nfs/dbraw/zinc/49/65/59/674496559.db2.gz FZEXUOPBRBSFFE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954408570 674496561 /nfs/dbraw/zinc/49/65/61/674496561.db2.gz FZEXUOPBRBSFFE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408570 674496562 /nfs/dbraw/zinc/49/65/62/674496562.db2.gz FZEXUOPBRBSFFE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954411793 674496860 /nfs/dbraw/zinc/49/68/60/674496860.db2.gz WHCCQJGZELRFAR-OIISXLGYSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954411793 674496861 /nfs/dbraw/zinc/49/68/61/674496861.db2.gz WHCCQJGZELRFAR-OIISXLGYSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954411793 674496862 /nfs/dbraw/zinc/49/68/62/674496862.db2.gz WHCCQJGZELRFAR-OIISXLGYSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC[N@H+]1C ZINC000954413345 674497130 /nfs/dbraw/zinc/49/71/30/674497130.db2.gz ZMLNWKFKNMXKKQ-BBWFWOEESA-N 2 1 352.523 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000956379778 674522139 /nfs/dbraw/zinc/52/21/39/674522139.db2.gz YZOOVXJYKAKFRN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000956379778 674522142 /nfs/dbraw/zinc/52/21/42/674522142.db2.gz YZOOVXJYKAKFRN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000956379778 674522144 /nfs/dbraw/zinc/52/21/44/674522144.db2.gz YZOOVXJYKAKFRN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824262081 607752867 /nfs/dbraw/zinc/75/28/67/607752867.db2.gz WNHYAUKTPVLDSY-UONOGXRCSA-N 2 1 359.482 0.815 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824262081 607752868 /nfs/dbraw/zinc/75/28/68/607752868.db2.gz WNHYAUKTPVLDSY-UONOGXRCSA-N 2 1 359.482 0.815 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000958032238 674558574 /nfs/dbraw/zinc/55/85/74/674558574.db2.gz HVPMYBSUONEOER-DRRXZNNHSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000958032238 674558576 /nfs/dbraw/zinc/55/85/76/674558576.db2.gz HVPMYBSUONEOER-DRRXZNNHSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000958032238 674558578 /nfs/dbraw/zinc/55/85/78/674558578.db2.gz HVPMYBSUONEOER-DRRXZNNHSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C)[NH+](C)C ZINC001020592225 663196148 /nfs/dbraw/zinc/19/61/48/663196148.db2.gz VHLWORYVTGAMKM-OLMNGRFOSA-N 2 1 354.495 0.151 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C)[NH+](C)C ZINC001020592225 663196150 /nfs/dbraw/zinc/19/61/50/663196150.db2.gz VHLWORYVTGAMKM-OLMNGRFOSA-N 2 1 354.495 0.151 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891481792 663408877 /nfs/dbraw/zinc/40/88/77/663408877.db2.gz GYQSGSJNHKENQE-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000891484645 663409124 /nfs/dbraw/zinc/40/91/24/663409124.db2.gz HQXBWUWCMGVKEH-ZNMIVQPWSA-N 2 1 353.467 0.293 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000891513436 663410799 /nfs/dbraw/zinc/41/07/99/663410799.db2.gz CDFUWXLURDNTSD-BEAPCOKYSA-N 2 1 351.451 0.046 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565077 663415431 /nfs/dbraw/zinc/41/54/31/663415431.db2.gz OZYOFKWFXKOFMU-KLHKWILBSA-N 2 1 351.495 0.058 20 0 FCADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891566955 663415989 /nfs/dbraw/zinc/41/59/89/663415989.db2.gz UOJVVCBXOQZWNI-KRWDZBQOSA-N 2 1 355.527 0.553 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000891600571 663417919 /nfs/dbraw/zinc/41/79/19/663417919.db2.gz CRVIVRPTAZKAGO-MGPQQGTHSA-N 2 1 365.444 0.649 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)C3CCCCC3)C2)O1 ZINC001022275726 663428938 /nfs/dbraw/zinc/42/89/38/663428938.db2.gz REFJRZNBHZOEKN-SOVHRIKKSA-N 2 1 353.507 0.884 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)C3CCCCC3)C2)O1 ZINC001022275726 663428939 /nfs/dbraw/zinc/42/89/39/663428939.db2.gz REFJRZNBHZOEKN-SOVHRIKKSA-N 2 1 353.507 0.884 20 0 FCADMP COCCC1(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000891857071 663443012 /nfs/dbraw/zinc/44/30/12/663443012.db2.gz XUNPTDRBKGISGU-INIZCTEOSA-N 2 1 356.511 0.945 20 0 FCADMP COCCC1(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH2+]CC1 ZINC000891857073 663443145 /nfs/dbraw/zinc/44/31/45/663443145.db2.gz XUNPTDRBKGISGU-MRXNPFEDSA-N 2 1 356.511 0.945 20 0 FCADMP [NH3+]CC1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCC1 ZINC000891952191 663454151 /nfs/dbraw/zinc/45/41/51/663454151.db2.gz DUOVIUCHKODNAW-UHFFFAOYSA-N 2 1 354.495 0.829 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892080516 663473976 /nfs/dbraw/zinc/47/39/76/663473976.db2.gz ZDUHKPPYNSOWOK-IXDOHACOSA-N 2 1 353.511 0.080 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000892081830 663474086 /nfs/dbraw/zinc/47/40/86/663474086.db2.gz FJJFXCKVLGTNKL-IRXDYDNUSA-N 2 1 353.511 0.224 20 0 FCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892092034 663475426 /nfs/dbraw/zinc/47/54/26/663475426.db2.gz OEHDSNIETWKDLM-BRWVUGGUSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295728 663523861 /nfs/dbraw/zinc/52/38/61/663523861.db2.gz SEVODTOZUPMFJM-BRWVUGGUSA-N 2 1 353.511 0.223 20 0 FCADMP CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+](C)CC1 ZINC000888983553 663549381 /nfs/dbraw/zinc/54/93/81/663549381.db2.gz HJMHAEDIIQPSNZ-QGZVFWFLSA-N 2 1 354.564 0.910 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001023371719 663619847 /nfs/dbraw/zinc/61/98/47/663619847.db2.gz DBXHFMKHCULQAS-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001023371719 663619848 /nfs/dbraw/zinc/61/98/48/663619848.db2.gz DBXHFMKHCULQAS-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001023371719 663619851 /nfs/dbraw/zinc/61/98/51/663619851.db2.gz DBXHFMKHCULQAS-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001023371719 663619852 /nfs/dbraw/zinc/61/98/52/663619852.db2.gz DBXHFMKHCULQAS-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001023372462 663620093 /nfs/dbraw/zinc/62/00/93/663620093.db2.gz SVJYZJGBDVTDBH-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001023372462 663620095 /nfs/dbraw/zinc/62/00/95/663620095.db2.gz SVJYZJGBDVTDBH-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001023372462 663620097 /nfs/dbraw/zinc/62/00/97/663620097.db2.gz SVJYZJGBDVTDBH-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001023377919 663620324 /nfs/dbraw/zinc/62/03/24/663620324.db2.gz XUIOAYZFNFLHMR-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001023377919 663620325 /nfs/dbraw/zinc/62/03/25/663620325.db2.gz XUIOAYZFNFLHMR-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001023377919 663620326 /nfs/dbraw/zinc/62/03/26/663620326.db2.gz XUIOAYZFNFLHMR-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC3CCOCC3)C2)O1 ZINC001023452071 663628548 /nfs/dbraw/zinc/62/85/48/663628548.db2.gz WIQSWKXOUNYBBH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CC3CCOCC3)C2)O1 ZINC001023452071 663628552 /nfs/dbraw/zinc/62/85/52/663628552.db2.gz WIQSWKXOUNYBBH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC3CCOCC3)C2)O1 ZINC001023452071 663628554 /nfs/dbraw/zinc/62/85/54/663628554.db2.gz WIQSWKXOUNYBBH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CCOCC3)C2)O1 ZINC001023452071 663628556 /nfs/dbraw/zinc/62/85/56/663628556.db2.gz WIQSWKXOUNYBBH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[NH2+]C1 ZINC000892384676 663797690 /nfs/dbraw/zinc/79/76/90/663797690.db2.gz PLCDCQHHKBTGTP-CABCVRRESA-N 2 1 351.495 0.370 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024039610 663868219 /nfs/dbraw/zinc/86/82/19/663868219.db2.gz ZPJPRPLVDHPPFB-VHDGCEQUSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024039610 663868222 /nfs/dbraw/zinc/86/82/22/663868222.db2.gz ZPJPRPLVDHPPFB-VHDGCEQUSA-N 2 1 367.519 0.894 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000892764665 664138974 /nfs/dbraw/zinc/13/89/74/664138974.db2.gz VZUNJVZRRFSWBR-OWCLPIDISA-N 2 1 354.495 0.242 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000892918461 664154402 /nfs/dbraw/zinc/15/44/02/664154402.db2.gz FLIIMSJDYOUMSP-HOCLYGCPSA-N 2 1 351.495 0.275 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944938 664177146 /nfs/dbraw/zinc/17/71/46/664177146.db2.gz XCUKPMQXQFSIOQ-ZACQAIPSSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892944938 664177147 /nfs/dbraw/zinc/17/71/47/664177147.db2.gz XCUKPMQXQFSIOQ-ZACQAIPSSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892944938 664177148 /nfs/dbraw/zinc/17/71/48/664177148.db2.gz XCUKPMQXQFSIOQ-ZACQAIPSSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025794016 664192061 /nfs/dbraw/zinc/19/20/61/664192061.db2.gz INZAPLINCKLUKI-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025794016 664192063 /nfs/dbraw/zinc/19/20/63/664192063.db2.gz INZAPLINCKLUKI-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025794016 664192066 /nfs/dbraw/zinc/19/20/66/664192066.db2.gz INZAPLINCKLUKI-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025794016 664192068 /nfs/dbraw/zinc/19/20/68/664192068.db2.gz INZAPLINCKLUKI-NEMWNAMBSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053350 664202196 /nfs/dbraw/zinc/20/21/96/664202196.db2.gz MJHHSDPIMHQWGX-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893053350 664202199 /nfs/dbraw/zinc/20/21/99/664202199.db2.gz MJHHSDPIMHQWGX-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893053350 664202201 /nfs/dbraw/zinc/20/22/01/664202201.db2.gz MJHHSDPIMHQWGX-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974125203 664223742 /nfs/dbraw/zinc/22/37/42/664223742.db2.gz CPLWEYHJMTZEPW-NQNKBUKLSA-N 2 1 350.507 0.963 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959963259 674603793 /nfs/dbraw/zinc/60/37/93/674603793.db2.gz CDWBWWQURVGBJE-SUJAAXHWSA-N 2 1 364.515 0.605 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959963259 674603796 /nfs/dbraw/zinc/60/37/96/674603796.db2.gz CDWBWWQURVGBJE-SUJAAXHWSA-N 2 1 364.515 0.605 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959963259 674603799 /nfs/dbraw/zinc/60/37/99/674603799.db2.gz CDWBWWQURVGBJE-SUJAAXHWSA-N 2 1 364.515 0.605 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC(=O)NC3CC3)CC2(C)C)CC[N@@H+]1C ZINC000974600364 664267958 /nfs/dbraw/zinc/26/79/58/664267958.db2.gz PXUQBXVAXCPGNC-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC(=O)NC3CC3)CC2(C)C)CC[N@H+]1C ZINC000974600364 664267959 /nfs/dbraw/zinc/26/79/59/664267959.db2.gz PXUQBXVAXCPGNC-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)CC[NH+]1C ZINC000974600364 664267961 /nfs/dbraw/zinc/26/79/61/664267961.db2.gz PXUQBXVAXCPGNC-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)CC[NH+]1C ZINC000974600364 664267964 /nfs/dbraw/zinc/26/79/64/664267964.db2.gz PXUQBXVAXCPGNC-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001026916750 664277215 /nfs/dbraw/zinc/27/72/15/664277215.db2.gz NLWXPJCEIXGFDP-MGPQQGTHSA-N 2 1 367.519 0.758 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001026916750 664277219 /nfs/dbraw/zinc/27/72/19/664277219.db2.gz NLWXPJCEIXGFDP-MGPQQGTHSA-N 2 1 367.519 0.758 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001027416343 664396788 /nfs/dbraw/zinc/39/67/88/664396788.db2.gz FLDCSNGGBQOTCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC001027416343 664396792 /nfs/dbraw/zinc/39/67/92/664396792.db2.gz FLDCSNGGBQOTCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC001027416343 664396795 /nfs/dbraw/zinc/39/67/95/664396795.db2.gz FLDCSNGGBQOTCP-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000977945361 664430305 /nfs/dbraw/zinc/43/03/05/664430305.db2.gz LHPWNTQEUDYLBR-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000977945362 664430347 /nfs/dbraw/zinc/43/03/47/664430347.db2.gz LHPWNTQEUDYLBR-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC000981776462 664839240 /nfs/dbraw/zinc/83/92/40/664839240.db2.gz PBSIBWMSLHFDOH-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000981893180 664846564 /nfs/dbraw/zinc/84/65/64/664846564.db2.gz ANIDUUQEEHNWQP-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000981893180 664846571 /nfs/dbraw/zinc/84/65/71/664846571.db2.gz ANIDUUQEEHNWQP-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000981893180 664846574 /nfs/dbraw/zinc/84/65/74/664846574.db2.gz ANIDUUQEEHNWQP-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283459 664864320 /nfs/dbraw/zinc/86/43/20/664864320.db2.gz SPNXIKXBECABDC-TZNWLIJBSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283459 664864321 /nfs/dbraw/zinc/86/43/21/664864321.db2.gz SPNXIKXBECABDC-TZNWLIJBSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283459 664864322 /nfs/dbraw/zinc/86/43/22/664864322.db2.gz SPNXIKXBECABDC-TZNWLIJBSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000982779685 664911901 /nfs/dbraw/zinc/91/19/01/664911901.db2.gz UWBZMTQSRHPYIQ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC000984011280 665012811 /nfs/dbraw/zinc/01/28/11/665012811.db2.gz BLJORRPISBLCIB-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC000984011280 665012815 /nfs/dbraw/zinc/01/28/15/665012815.db2.gz BLJORRPISBLCIB-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)CC1(CC(=O)NC[C@@H]2CC[N@@H+]2C)CCCC1 ZINC000928564301 665022507 /nfs/dbraw/zinc/02/25/07/665022507.db2.gz UTDXJXOFJIZDMJ-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895300109 665036294 /nfs/dbraw/zinc/03/62/94/665036294.db2.gz XTPHDSKVPJSJNH-INIZCTEOSA-N 2 1 354.495 0.509 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000895300109 665036295 /nfs/dbraw/zinc/03/62/95/665036295.db2.gz XTPHDSKVPJSJNH-INIZCTEOSA-N 2 1 354.495 0.509 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326477 665080930 /nfs/dbraw/zinc/08/09/30/665080930.db2.gz ZISJQAXGFPHWRZ-INIZCTEOSA-N 2 1 350.507 0.382 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326477 665080932 /nfs/dbraw/zinc/08/09/32/665080932.db2.gz ZISJQAXGFPHWRZ-INIZCTEOSA-N 2 1 350.507 0.382 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029768378 665172107 /nfs/dbraw/zinc/17/21/07/665172107.db2.gz MQJBTLZCXSVEKW-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029768378 665172108 /nfs/dbraw/zinc/17/21/08/665172108.db2.gz MQJBTLZCXSVEKW-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029768378 665172109 /nfs/dbraw/zinc/17/21/09/665172109.db2.gz MQJBTLZCXSVEKW-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029768378 665172110 /nfs/dbraw/zinc/17/21/10/665172110.db2.gz MQJBTLZCXSVEKW-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP C[NH+](C)CCCNC(=S)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905556379 666028110 /nfs/dbraw/zinc/02/81/10/666028110.db2.gz QXMLVALRJPFIHW-INIZCTEOSA-N 2 1 357.568 0.199 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000906917607 666081195 /nfs/dbraw/zinc/08/11/95/666081195.db2.gz JCPKGWGCFHCJGQ-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000906917607 666081197 /nfs/dbraw/zinc/08/11/97/666081197.db2.gz JCPKGWGCFHCJGQ-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910655263 666260114 /nfs/dbraw/zinc/26/01/14/666260114.db2.gz XSNLLGSEZDJZOW-UHFFFAOYSA-N 2 1 350.463 0.722 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910655263 666260116 /nfs/dbraw/zinc/26/01/16/666260116.db2.gz XSNLLGSEZDJZOW-UHFFFAOYSA-N 2 1 350.463 0.722 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982072 666301679 /nfs/dbraw/zinc/30/16/79/666301679.db2.gz AFGFAHKSFXQTNK-JKSUJKDBSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911185416 666320265 /nfs/dbraw/zinc/32/02/65/666320265.db2.gz DVFJTKCHJRRSRK-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000911317499 666337690 /nfs/dbraw/zinc/33/76/90/666337690.db2.gz WCPXBYKUNGZFGO-YYIAUSFCSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000911317499 666337692 /nfs/dbraw/zinc/33/76/92/666337692.db2.gz WCPXBYKUNGZFGO-YYIAUSFCSA-N 2 1 350.507 0.679 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911562690 666364744 /nfs/dbraw/zinc/36/47/44/666364744.db2.gz LHLLPSTZZPQDFS-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000911595358 666368285 /nfs/dbraw/zinc/36/82/85/666368285.db2.gz MLSYXPBIJJTYGT-UHFFFAOYSA-N 2 1 352.523 0.726 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)n1C ZINC000921363956 666440197 /nfs/dbraw/zinc/44/01/97/666440197.db2.gz PZTPBAXCXFKAOU-CQSZACIVSA-N 2 1 350.467 0.539 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)n1C ZINC000921363956 666440199 /nfs/dbraw/zinc/44/01/99/666440199.db2.gz PZTPBAXCXFKAOU-CQSZACIVSA-N 2 1 350.467 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939490275 666516910 /nfs/dbraw/zinc/51/69/10/666516910.db2.gz IATHJFLOUOREBX-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000991446676 666523281 /nfs/dbraw/zinc/52/32/81/666523281.db2.gz NRRXRDBETANBJD-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCNC(=S)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000055004175 666537956 /nfs/dbraw/zinc/53/79/56/666537956.db2.gz MLRLAIJTXOLCTR-UHFFFAOYSA-N 2 1 363.531 0.851 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940286973 666545405 /nfs/dbraw/zinc/54/54/05/666545405.db2.gz BWLFMSZAEQIHLR-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1)OC ZINC000941412802 666627066 /nfs/dbraw/zinc/62/70/66/666627066.db2.gz LVVAGXPZIXGWDS-BPQIPLTHSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000992320464 666633588 /nfs/dbraw/zinc/63/35/88/666633588.db2.gz WQYIKLGGJSWXBV-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000992401588 666636115 /nfs/dbraw/zinc/63/61/15/666636115.db2.gz RNPUYKDUYGGWOV-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000992401588 666636116 /nfs/dbraw/zinc/63/61/16/666636116.db2.gz RNPUYKDUYGGWOV-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000992401588 666636117 /nfs/dbraw/zinc/63/61/17/666636117.db2.gz RNPUYKDUYGGWOV-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000943655073 666781366 /nfs/dbraw/zinc/78/13/66/666781366.db2.gz WNBZWSARLGJAIM-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000943655073 666781370 /nfs/dbraw/zinc/78/13/70/666781370.db2.gz WNBZWSARLGJAIM-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000943655073 666781375 /nfs/dbraw/zinc/78/13/75/666781375.db2.gz WNBZWSARLGJAIM-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000944087154 666827629 /nfs/dbraw/zinc/82/76/29/666827629.db2.gz YPBZMZCLLYXCDC-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000944087154 666827632 /nfs/dbraw/zinc/82/76/32/666827632.db2.gz YPBZMZCLLYXCDC-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000944087154 666827635 /nfs/dbraw/zinc/82/76/35/666827635.db2.gz YPBZMZCLLYXCDC-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944107580 666830377 /nfs/dbraw/zinc/83/03/77/666830377.db2.gz JHXVWXIOIBGAAB-KLHDSHLOSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944107580 666830382 /nfs/dbraw/zinc/83/03/82/666830382.db2.gz JHXVWXIOIBGAAB-KLHDSHLOSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1)[NH+](C)C ZINC000945388595 666879105 /nfs/dbraw/zinc/87/91/05/666879105.db2.gz YICAXFVILDFDBG-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734277200 666959032 /nfs/dbraw/zinc/95/90/32/666959032.db2.gz PEVYSLDSBZWLAE-MRXNPFEDSA-N 2 1 356.536 0.978 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1)[NH+](C)C ZINC000994411754 667039551 /nfs/dbraw/zinc/03/95/51/667039551.db2.gz AGECQSBQYFNZJB-VQHPVUNQSA-N 2 1 352.523 0.878 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000186397461 667205763 /nfs/dbraw/zinc/20/57/63/667205763.db2.gz WEPPYGYRIYKVKZ-LSDHHAIUSA-N 2 1 354.495 0.996 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994529 667259731 /nfs/dbraw/zinc/25/97/31/667259731.db2.gz YNLLKQFGGZCFHU-FVQBIDKESA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994529 667259733 /nfs/dbraw/zinc/25/97/33/667259733.db2.gz YNLLKQFGGZCFHU-FVQBIDKESA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994529 667259736 /nfs/dbraw/zinc/25/97/36/667259736.db2.gz YNLLKQFGGZCFHU-FVQBIDKESA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994529 667259739 /nfs/dbraw/zinc/25/97/39/667259739.db2.gz YNLLKQFGGZCFHU-FVQBIDKESA-N 2 1 350.467 0.269 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC001002263250 667527698 /nfs/dbraw/zinc/52/76/98/667527698.db2.gz NBCOHUNHFBURHG-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC001002263250 667527701 /nfs/dbraw/zinc/52/77/01/667527701.db2.gz NBCOHUNHFBURHG-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC001002263250 667527704 /nfs/dbraw/zinc/52/77/04/667527704.db2.gz NBCOHUNHFBURHG-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCCCC3)CC2)CC[N@@H+]1C ZINC001002850927 667570664 /nfs/dbraw/zinc/57/06/64/667570664.db2.gz DGVOYHBERLLGPH-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCCCC3)CC2)CC[N@H+]1C ZINC001002850927 667570666 /nfs/dbraw/zinc/57/06/66/667570666.db2.gz DGVOYHBERLLGPH-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001002859236 667571776 /nfs/dbraw/zinc/57/17/76/667571776.db2.gz MABFJKUNLGDRFC-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001002859236 667571777 /nfs/dbraw/zinc/57/17/77/667571777.db2.gz MABFJKUNLGDRFC-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001002862304 667572937 /nfs/dbraw/zinc/57/29/37/667572937.db2.gz KXUZEPPRVBXIHL-XOKHGSTOSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)O1 ZINC001004470310 667691627 /nfs/dbraw/zinc/69/16/27/667691627.db2.gz SZPXOFDTGPMEAL-KBAYOESNSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)O1 ZINC001004470310 667691628 /nfs/dbraw/zinc/69/16/28/667691628.db2.gz SZPXOFDTGPMEAL-KBAYOESNSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)O1 ZINC001004470310 667691630 /nfs/dbraw/zinc/69/16/30/667691630.db2.gz SZPXOFDTGPMEAL-KBAYOESNSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)O1 ZINC001004470310 667691632 /nfs/dbraw/zinc/69/16/32/667691632.db2.gz SZPXOFDTGPMEAL-KBAYOESNSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001034218041 667749993 /nfs/dbraw/zinc/74/99/93/667749993.db2.gz YDTYVBLPGMTDBA-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001034218041 667749995 /nfs/dbraw/zinc/74/99/95/667749995.db2.gz YDTYVBLPGMTDBA-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001034218041 667749997 /nfs/dbraw/zinc/74/99/97/667749997.db2.gz YDTYVBLPGMTDBA-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001034218041 667749999 /nfs/dbraw/zinc/74/99/99/667749999.db2.gz YDTYVBLPGMTDBA-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186806 667775279 /nfs/dbraw/zinc/77/52/79/667775279.db2.gz JWQYJXVONRHDPY-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186806 667775283 /nfs/dbraw/zinc/77/52/83/667775283.db2.gz JWQYJXVONRHDPY-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186806 667775286 /nfs/dbraw/zinc/77/52/86/667775286.db2.gz JWQYJXVONRHDPY-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923283068 667821731 /nfs/dbraw/zinc/82/17/31/667821731.db2.gz ZNFBIRXTTXHRIP-ZIAGYGMSSA-N 2 1 355.866 0.867 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006183548 667856458 /nfs/dbraw/zinc/85/64/58/667856458.db2.gz YVAGPXDHNYXVCV-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001006183548 667856459 /nfs/dbraw/zinc/85/64/59/667856459.db2.gz YVAGPXDHNYXVCV-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001006183548 667856463 /nfs/dbraw/zinc/85/64/63/667856463.db2.gz YVAGPXDHNYXVCV-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP C(C[NH+]1CCCC2(C1)OCCO2)OCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000761686283 667893746 /nfs/dbraw/zinc/89/37/46/667893746.db2.gz CDCOPXOGFRKPNB-UHFFFAOYSA-N 2 1 356.463 0.681 20 0 FCADMP C(C[NH+]1CCCC2(C1)OCCO2)OCC[N@H+]1CCCC2(C1)OCCO2 ZINC000761686283 667893749 /nfs/dbraw/zinc/89/37/49/667893749.db2.gz CDCOPXOGFRKPNB-UHFFFAOYSA-N 2 1 356.463 0.681 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C3OCCO3)CC1)C2=O ZINC000738137306 667904791 /nfs/dbraw/zinc/90/47/91/667904791.db2.gz CUVAETMXXWHFDF-UHFFFAOYSA-N 2 1 352.435 0.045 20 0 FCADMP COCC[N@H+](C)CCCC1CC[NH+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000766372850 668027975 /nfs/dbraw/zinc/02/79/75/668027975.db2.gz DXEXOTQELPCWQU-UHFFFAOYSA-N 2 1 354.451 0.435 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000766372850 668027978 /nfs/dbraw/zinc/02/79/78/668027978.db2.gz DXEXOTQELPCWQU-UHFFFAOYSA-N 2 1 354.451 0.435 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769745502 668151325 /nfs/dbraw/zinc/15/13/25/668151325.db2.gz CJJJQWZIGSXONP-UHFFFAOYSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000770124240 668174166 /nfs/dbraw/zinc/17/41/66/668174166.db2.gz PQALPXNUCWXLOF-XIRDDKMYSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770124240 668174168 /nfs/dbraw/zinc/17/41/68/668174168.db2.gz PQALPXNUCWXLOF-XIRDDKMYSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000774839937 668177072 /nfs/dbraw/zinc/17/70/72/668177072.db2.gz CHAJZFQPPDYRMH-LSDHHAIUSA-N 2 1 350.463 0.989 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC000771677303 668267534 /nfs/dbraw/zinc/26/75/34/668267534.db2.gz WHEQCAUGEOZFQF-UHFFFAOYSA-N 2 1 352.523 0.726 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804048876 669353644 /nfs/dbraw/zinc/35/36/44/669353644.db2.gz ABZLISOHJSJUEA-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)CC1 ZINC000829029431 669680632 /nfs/dbraw/zinc/68/06/32/669680632.db2.gz NZVBTXHCDFJNGN-SFHVURJKSA-N 2 1 354.470 0.481 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)CC1 ZINC000829029430 669680733 /nfs/dbraw/zinc/68/07/33/669680733.db2.gz NZVBTXHCDFJNGN-GOSISDBHSA-N 2 1 354.470 0.481 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738342 669972393 /nfs/dbraw/zinc/97/23/93/669972393.db2.gz WHMJUZFKUPJAGG-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738342 669972396 /nfs/dbraw/zinc/97/23/96/669972396.db2.gz WHMJUZFKUPJAGG-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738342 669972399 /nfs/dbraw/zinc/97/23/99/669972399.db2.gz WHMJUZFKUPJAGG-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000834738342 669972401 /nfs/dbraw/zinc/97/24/01/669972401.db2.gz WHMJUZFKUPJAGG-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000843205175 670780257 /nfs/dbraw/zinc/78/02/57/670780257.db2.gz XBJDLFLNJPCPGD-LLVKDONJSA-N 2 1 353.448 0.986 20 0 FCADMP C[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843353502 670804400 /nfs/dbraw/zinc/80/44/00/670804400.db2.gz KJDGZSDWVSBLCG-QWHCGFSZSA-N 2 1 351.451 0.332 20 0 FCADMP C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC([NH3+])CC1 ZINC000843354219 670805362 /nfs/dbraw/zinc/80/53/62/670805362.db2.gz ZCMZNDQNKKWNDX-UHFFFAOYSA-N 2 1 366.487 0.425 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)Cc1ccncc1)[C@]1(F)CC[NH2+]C1 ZINC000843487603 670829983 /nfs/dbraw/zinc/82/99/83/670829983.db2.gz JHSZKFYQGGPIEK-SFHVURJKSA-N 2 1 350.438 0.834 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000846239976 671093967 /nfs/dbraw/zinc/09/39/67/671093967.db2.gz KVFAADYCTLNYDO-RRFJBIMHSA-N 2 1 354.495 0.994 20 0 FCADMP CN1CCC[N@@H+](CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111463 671318238 /nfs/dbraw/zinc/31/82/38/671318238.db2.gz OZNLPDZWPSNFNK-UHFFFAOYSA-N 2 1 356.515 0.653 20 0 FCADMP C[N@@H+]1CCCN(CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111463 671318242 /nfs/dbraw/zinc/31/82/42/671318242.db2.gz OZNLPDZWPSNFNK-UHFFFAOYSA-N 2 1 356.515 0.653 20 0 FCADMP C[N@H+]1CCCN(CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111463 671318247 /nfs/dbraw/zinc/31/82/47/671318247.db2.gz OZNLPDZWPSNFNK-UHFFFAOYSA-N 2 1 356.515 0.653 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000849113161 671318708 /nfs/dbraw/zinc/31/87/08/671318708.db2.gz KGJPGTCNQISDAG-HNNXBMFYSA-N 2 1 355.483 0.568 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829531 675899263 /nfs/dbraw/zinc/89/92/63/675899263.db2.gz RWXVNWAIOZCFQZ-BPKGMFCQSA-N 2 1 369.531 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[NH+]1C ZINC001048829531 675899268 /nfs/dbraw/zinc/89/92/68/675899268.db2.gz RWXVNWAIOZCFQZ-BPKGMFCQSA-N 2 1 369.531 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@@H]3C2)CC[NH+]1C ZINC001048829531 675899270 /nfs/dbraw/zinc/89/92/70/675899270.db2.gz RWXVNWAIOZCFQZ-BPKGMFCQSA-N 2 1 369.531 0.152 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891698 675906455 /nfs/dbraw/zinc/90/64/55/675906455.db2.gz UWYFKLJGURLDJH-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891698 675906456 /nfs/dbraw/zinc/90/64/56/675906456.db2.gz UWYFKLJGURLDJH-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891698 675906458 /nfs/dbraw/zinc/90/64/58/675906458.db2.gz UWYFKLJGURLDJH-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]3C2)O1 ZINC001048891698 675906459 /nfs/dbraw/zinc/90/64/59/675906459.db2.gz UWYFKLJGURLDJH-HSFUPAIVSA-N 2 1 351.491 0.522 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851836081 671472619 /nfs/dbraw/zinc/47/26/19/671472619.db2.gz GQCRMTVYEFFQPJ-UHFFFAOYSA-N 2 1 373.299 0.430 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000853347846 671546636 /nfs/dbraw/zinc/54/66/36/671546636.db2.gz RSUVFKQMRQTFDK-CVEARBPZSA-N 2 1 355.527 0.768 20 0 FCADMP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000859271895 671806473 /nfs/dbraw/zinc/80/64/73/671806473.db2.gz JFINGEFHZUDJHU-FZDBZEDMSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000859271895 671806477 /nfs/dbraw/zinc/80/64/77/671806477.db2.gz JFINGEFHZUDJHU-FZDBZEDMSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000859271895 671806480 /nfs/dbraw/zinc/80/64/80/671806480.db2.gz JFINGEFHZUDJHU-FZDBZEDMSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733886 675965008 /nfs/dbraw/zinc/96/50/08/675965008.db2.gz SBYQVKJJSHTATC-WBVHZDCISA-N 2 1 350.507 0.430 20 0 FCADMP COCc1noc(CN2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903755720 675968293 /nfs/dbraw/zinc/96/82/93/675968293.db2.gz KTAYDIGOAARIHK-YOEHRIQHSA-N 2 1 351.451 0.102 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783561 675973048 /nfs/dbraw/zinc/97/30/48/675973048.db2.gz ZEIRTDFEUOPWLZ-SJLPKXTDSA-N 2 1 350.507 0.561 20 0 FCADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)NC(=O)NCC(F)(F)F ZINC000903817873 675976052 /nfs/dbraw/zinc/97/60/52/675976052.db2.gz NEJULDABMKHPBN-UHFFFAOYSA-N 2 1 366.384 0.609 20 0 FCADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931795 675983674 /nfs/dbraw/zinc/98/36/74/675983674.db2.gz IHRRVLDMKDREJD-FZMZJTMJSA-N 2 1 360.384 0.703 20 0 FCADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931795 675983676 /nfs/dbraw/zinc/98/36/76/675983676.db2.gz IHRRVLDMKDREJD-FZMZJTMJSA-N 2 1 360.384 0.703 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)NC)C3)C2)CC[N@H+]1C ZINC001054133401 676001034 /nfs/dbraw/zinc/00/10/34/676001034.db2.gz BYZRHZSWALFOMN-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)CC[NH+]1C ZINC001054133401 676001037 /nfs/dbraw/zinc/00/10/37/676001037.db2.gz BYZRHZSWALFOMN-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=O)NC)C3)C2)CC[NH+]1C ZINC001054133401 676001040 /nfs/dbraw/zinc/00/10/40/676001040.db2.gz BYZRHZSWALFOMN-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868308876 672393475 /nfs/dbraw/zinc/39/34/75/672393475.db2.gz CIIPRRLUBPWFRZ-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357521 676017544 /nfs/dbraw/zinc/01/75/44/676017544.db2.gz QVKBBJOHEHSKDH-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357521 676017545 /nfs/dbraw/zinc/01/75/45/676017545.db2.gz QVKBBJOHEHSKDH-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357521 676017547 /nfs/dbraw/zinc/01/75/47/676017547.db2.gz QVKBBJOHEHSKDH-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP COC(=O)CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600883 672563877 /nfs/dbraw/zinc/56/38/77/672563877.db2.gz FUKDDVCTEJSBHK-GJZGRUSLSA-N 2 1 353.463 0.731 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146507 672594657 /nfs/dbraw/zinc/59/46/57/672594657.db2.gz PLKHQBXOEFXIFW-NCOADZHNSA-N 2 1 351.491 0.639 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCCOC3)CC2)O1 ZINC001000838045 676061014 /nfs/dbraw/zinc/06/10/14/676061014.db2.gz RACCELBLOFOFEJ-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCCOC3)CC2)O1 ZINC001000838045 676061018 /nfs/dbraw/zinc/06/10/18/676061018.db2.gz RACCELBLOFOFEJ-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](C[C@@H]3CCCOC3)CC2)O1 ZINC001000838045 676061021 /nfs/dbraw/zinc/06/10/21/676061021.db2.gz RACCELBLOFOFEJ-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](C[C@@H]3CCCOC3)CC2)O1 ZINC001000838045 676061025 /nfs/dbraw/zinc/06/10/25/676061025.db2.gz RACCELBLOFOFEJ-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001001423555 676071518 /nfs/dbraw/zinc/07/15/18/676071518.db2.gz DGVNXTJXVUGOSK-BBWFWOEESA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000876725971 672974895 /nfs/dbraw/zinc/97/48/95/672974895.db2.gz RUGDBXLYONRXOU-UHFFFAOYSA-N 2 1 365.503 0.550 20 0 FCADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000876784090 672980010 /nfs/dbraw/zinc/98/00/10/672980010.db2.gz WRYRVBJSDIVYSV-AWEZNQCLSA-N 2 1 351.520 0.894 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)O1 ZINC001050563553 676086279 /nfs/dbraw/zinc/08/62/79/676086279.db2.gz LWOAKMBPPIDYDU-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)O1 ZINC001050563553 676086280 /nfs/dbraw/zinc/08/62/80/676086280.db2.gz LWOAKMBPPIDYDU-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000878980794 673091728 /nfs/dbraw/zinc/09/17/28/673091728.db2.gz FJGIRLFTDUORBA-XLAORIBOSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1CC[Si](C)(C)CC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000878980794 673091736 /nfs/dbraw/zinc/09/17/36/673091736.db2.gz FJGIRLFTDUORBA-XLAORIBOSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC[Si](C)(C)CC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000878980794 673091742 /nfs/dbraw/zinc/09/17/42/673091742.db2.gz FJGIRLFTDUORBA-XLAORIBOSA-N 2 1 374.598 0.330 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC001051623294 676106899 /nfs/dbraw/zinc/10/68/99/676106899.db2.gz DDILLZMJHGDYOT-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001051678480 676108345 /nfs/dbraw/zinc/10/83/45/676108345.db2.gz CDYFFWKXBZQFQA-UMVBOHGHSA-N 2 1 354.476 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001051678480 676108346 /nfs/dbraw/zinc/10/83/46/676108346.db2.gz CDYFFWKXBZQFQA-UMVBOHGHSA-N 2 1 354.476 0.179 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880210915 673181573 /nfs/dbraw/zinc/18/15/73/673181573.db2.gz XLRXTDBUSBDVLI-WMZOPIPTSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[NH+]1CCSCC1 ZINC000881623668 673233533 /nfs/dbraw/zinc/23/35/33/673233533.db2.gz OLKYYTOMGPOJPP-OAHLLOKOSA-N 2 1 368.547 0.756 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC001052389512 676122768 /nfs/dbraw/zinc/12/27/68/676122768.db2.gz UQLUARPUBITTHO-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001052393037 676122802 /nfs/dbraw/zinc/12/28/02/676122802.db2.gz DIVHJFAGMUTMGY-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCCC3=O)CC2)CC[NH+]1C ZINC001052393037 676122806 /nfs/dbraw/zinc/12/28/06/676122806.db2.gz DIVHJFAGMUTMGY-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)CC2)CC[NH+]1C ZINC001052393037 676122808 /nfs/dbraw/zinc/12/28/08/676122808.db2.gz DIVHJFAGMUTMGY-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000882329164 673304445 /nfs/dbraw/zinc/30/44/45/673304445.db2.gz AVADSEJQHGMMEI-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000882329164 673304446 /nfs/dbraw/zinc/30/44/46/673304446.db2.gz AVADSEJQHGMMEI-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882489136 673315599 /nfs/dbraw/zinc/31/55/99/673315599.db2.gz MJIGRDNSYOWGGN-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882489136 673315601 /nfs/dbraw/zinc/31/56/01/673315601.db2.gz MJIGRDNSYOWGGN-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882489136 673315602 /nfs/dbraw/zinc/31/56/02/673315602.db2.gz MJIGRDNSYOWGGN-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883204584 673368993 /nfs/dbraw/zinc/36/89/93/673368993.db2.gz DOEQHOCKPCJOGI-OAHLLOKOSA-N 2 1 351.495 0.596 20 0 FCADMP CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000883448069 673376189 /nfs/dbraw/zinc/37/61/89/673376189.db2.gz TVAPOEIZCQORFP-HNNXBMFYSA-N 2 1 352.504 0.716 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000883538590 673382029 /nfs/dbraw/zinc/38/20/29/673382029.db2.gz YUUWBUXPWZUIJK-YOEHRIQHSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000883538590 673382033 /nfs/dbraw/zinc/38/20/33/673382033.db2.gz YUUWBUXPWZUIJK-YOEHRIQHSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000883538589 673382066 /nfs/dbraw/zinc/38/20/66/673382066.db2.gz YUUWBUXPWZUIJK-WMLDXEAASA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000883538589 673382074 /nfs/dbraw/zinc/38/20/74/673382074.db2.gz YUUWBUXPWZUIJK-WMLDXEAASA-N 2 1 354.495 0.648 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000883646551 673388373 /nfs/dbraw/zinc/38/83/73/673388373.db2.gz UMNMFZJWDKTJOG-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884508388 673458335 /nfs/dbraw/zinc/45/83/35/673458335.db2.gz CQYCCWNTBIRDMX-NWDGAFQWSA-N 2 1 361.368 0.293 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000884513843 673459115 /nfs/dbraw/zinc/45/91/15/673459115.db2.gz SQDZHRSMOIECCG-QWHCGFSZSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000884513843 673459118 /nfs/dbraw/zinc/45/91/18/673459118.db2.gz SQDZHRSMOIECCG-QWHCGFSZSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000884513841 673459146 /nfs/dbraw/zinc/45/91/46/673459146.db2.gz SQDZHRSMOIECCG-CHWSQXEVSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000884513841 673459147 /nfs/dbraw/zinc/45/91/47/673459147.db2.gz SQDZHRSMOIECCG-CHWSQXEVSA-N 2 1 364.412 0.730 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccsc1 ZINC000884576226 673463162 /nfs/dbraw/zinc/46/31/62/673463162.db2.gz CBKZXYFJWKJVRJ-GRDNDAEWSA-N 2 1 350.488 0.535 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccsc1 ZINC000884576137 673463221 /nfs/dbraw/zinc/46/32/21/673463221.db2.gz ATGLHECRYQMRPP-RRFJBIMHSA-N 2 1 350.488 0.820 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884576596 673463660 /nfs/dbraw/zinc/46/36/60/673463660.db2.gz LDNMDLSSCVQQNP-FRRDWIJNSA-N 2 1 364.412 0.430 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000884607271 673465460 /nfs/dbraw/zinc/46/54/60/673465460.db2.gz UMDSYRCCRIRURY-HOSILWTGSA-N 2 1 362.499 0.820 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000884626434 673467209 /nfs/dbraw/zinc/46/72/09/673467209.db2.gz LJUQRWUMLJJFKQ-CLCXKQKWSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884627098 673467243 /nfs/dbraw/zinc/46/72/43/673467243.db2.gz DOFYIMVDHCTEFU-KUHUBIRLSA-N 2 1 350.507 0.810 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1CCCC1 ZINC000884641033 673468927 /nfs/dbraw/zinc/46/89/27/673468927.db2.gz YBEQTTJUCDNKLP-UHFFFAOYSA-N 2 1 365.503 0.477 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000884669611 673471318 /nfs/dbraw/zinc/47/13/18/673471318.db2.gz AUKULSSVOWGUME-VCBZYWHSSA-N 2 1 350.507 0.953 20 0 FCADMP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000884722368 673477008 /nfs/dbraw/zinc/47/70/08/673477008.db2.gz SXLUWIBDFWDXLC-UHFFFAOYSA-N 2 1 360.449 0.954 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884736864 673478903 /nfs/dbraw/zinc/47/89/03/673478903.db2.gz CGGLBQIPUBSDSJ-QWHCGFSZSA-N 2 1 366.428 0.676 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884787460 673482264 /nfs/dbraw/zinc/48/22/64/673482264.db2.gz SJOTWGCHHHPDCH-SDDRHHMPSA-N 2 1 350.385 0.183 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884884835 673488614 /nfs/dbraw/zinc/48/86/14/673488614.db2.gz MCQDQENPABYLDY-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC[C@@H]21 ZINC000885286346 673512566 /nfs/dbraw/zinc/51/25/66/673512566.db2.gz WOAAXJBOYJCJDH-MCIONIFRSA-N 2 1 358.433 0.290 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446147 673752781 /nfs/dbraw/zinc/75/27/81/673752781.db2.gz XQCIMWFGQMPMKA-JKSUJKDBSA-N 2 1 352.479 0.750 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446147 673752783 /nfs/dbraw/zinc/75/27/83/673752783.db2.gz XQCIMWFGQMPMKA-JKSUJKDBSA-N 2 1 352.479 0.750 20 0 FCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000924704473 673761448 /nfs/dbraw/zinc/76/14/48/673761448.db2.gz FLVPFQNHFUYGKB-ZIAGYGMSSA-N 2 1 353.488 0.938 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(CC2(C[NH+]3CCOCC3)CCCCC2)C1=O ZINC000924729803 673762002 /nfs/dbraw/zinc/76/20/02/673762002.db2.gz KRCRRIGXILHFTE-HNNXBMFYSA-N 2 1 352.479 0.751 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000925556002 673793842 /nfs/dbraw/zinc/79/38/42/673793842.db2.gz JGWIDXMDJKVVBX-YESZJQIVSA-N 2 1 351.491 0.639 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927639831 673874191 /nfs/dbraw/zinc/87/41/91/673874191.db2.gz FXBNJLMMWVWFIO-KRWDZBQOSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927639831 673874194 /nfs/dbraw/zinc/87/41/94/673874194.db2.gz FXBNJLMMWVWFIO-KRWDZBQOSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927639831 673874196 /nfs/dbraw/zinc/87/41/96/673874196.db2.gz FXBNJLMMWVWFIO-KRWDZBQOSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CC1(CC(=O)NC[C@H]2CC[N@@H+]2C)CCCC1 ZINC000928564302 673919749 /nfs/dbraw/zinc/91/97/49/673919749.db2.gz UTDXJXOFJIZDMJ-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929509337 673960084 /nfs/dbraw/zinc/96/00/84/673960084.db2.gz JPLGBPBKNUFWGS-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929509337 673960085 /nfs/dbraw/zinc/96/00/85/673960085.db2.gz JPLGBPBKNUFWGS-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929509337 673960086 /nfs/dbraw/zinc/96/00/86/673960086.db2.gz JPLGBPBKNUFWGS-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000929509337 673960088 /nfs/dbraw/zinc/96/00/88/673960088.db2.gz JPLGBPBKNUFWGS-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000930176190 674003747 /nfs/dbraw/zinc/00/37/47/674003747.db2.gz DJEUWRPYBFZQTQ-HNNXBMFYSA-N 2 1 368.547 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC000968725384 675226784 /nfs/dbraw/zinc/22/67/84/675226784.db2.gz VFRGUXLPKLLHNU-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000968738111 675227983 /nfs/dbraw/zinc/22/79/83/675227983.db2.gz MUKBLCHROGAWJV-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001014487574 675391468 /nfs/dbraw/zinc/39/14/68/675391468.db2.gz DYBWTGLGHSSLTN-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001014487574 675391471 /nfs/dbraw/zinc/39/14/71/675391471.db2.gz DYBWTGLGHSSLTN-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC(C)CC3)C2)CC[NH+]1C ZINC001014487574 675391473 /nfs/dbraw/zinc/39/14/73/675391473.db2.gz DYBWTGLGHSSLTN-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC(C)CC3)C2)CC[NH+]1C ZINC001014487574 675391475 /nfs/dbraw/zinc/39/14/75/675391475.db2.gz DYBWTGLGHSSLTN-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018866817 675417947 /nfs/dbraw/zinc/41/79/47/675417947.db2.gz AZRWXTFJHOZHNA-QLFBSQMISA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020286579 675439541 /nfs/dbraw/zinc/43/95/41/675439541.db2.gz DUEVQLWCUWYBKV-KBUPBQIOSA-N 2 1 368.503 0.174 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020286579 675439542 /nfs/dbraw/zinc/43/95/42/675439542.db2.gz DUEVQLWCUWYBKV-KBUPBQIOSA-N 2 1 368.503 0.174 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001020286732 675439545 /nfs/dbraw/zinc/43/95/45/675439545.db2.gz LDYQRCNIXSVCDW-NMFUWQPSSA-N 2 1 355.870 0.492 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001020286732 675439546 /nfs/dbraw/zinc/43/95/46/675439546.db2.gz LDYQRCNIXSVCDW-NMFUWQPSSA-N 2 1 355.870 0.492 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000900382345 675677400 /nfs/dbraw/zinc/67/74/00/675677400.db2.gz BCGBLOFLXOPWSJ-HNNXBMFYSA-N 2 1 355.479 0.489 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000900382345 675677404 /nfs/dbraw/zinc/67/74/04/675677404.db2.gz BCGBLOFLXOPWSJ-HNNXBMFYSA-N 2 1 355.479 0.489 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900688350 675707714 /nfs/dbraw/zinc/70/77/14/675707714.db2.gz HKSWYQTURCRKDP-UHFFFAOYSA-N 2 1 350.511 0.592 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001046329473 675708775 /nfs/dbraw/zinc/70/87/75/675708775.db2.gz PZYIRQOWYGPWGF-IDHHARJASA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001046329473 675708778 /nfs/dbraw/zinc/70/87/78/675708778.db2.gz PZYIRQOWYGPWGF-IDHHARJASA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001046329473 675708780 /nfs/dbraw/zinc/70/87/80/675708780.db2.gz PZYIRQOWYGPWGF-IDHHARJASA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001046329473 675708783 /nfs/dbraw/zinc/70/87/83/675708783.db2.gz PZYIRQOWYGPWGF-IDHHARJASA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000901137274 675762702 /nfs/dbraw/zinc/76/27/02/675762702.db2.gz JOBPMAZEOYZQAK-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000901137274 675762705 /nfs/dbraw/zinc/76/27/05/675762705.db2.gz JOBPMAZEOYZQAK-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000901137274 675762709 /nfs/dbraw/zinc/76/27/09/675762709.db2.gz JOBPMAZEOYZQAK-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299405 675780535 /nfs/dbraw/zinc/78/05/35/675780535.db2.gz PYQFTQYFQSRBAF-DLBZAZTESA-N 2 1 351.491 0.689 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3cccs3)C[C@@H]2O)O1 ZINC001047428324 675799284 /nfs/dbraw/zinc/79/92/84/675799284.db2.gz GCRFQXGWINLCOU-BSWAZPDLSA-N 2 1 367.515 0.513 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3cccs3)C[C@@H]2O)O1 ZINC001047428324 675799286 /nfs/dbraw/zinc/79/92/86/675799286.db2.gz GCRFQXGWINLCOU-BSWAZPDLSA-N 2 1 367.515 0.513 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)O1 ZINC001047428324 675799292 /nfs/dbraw/zinc/79/92/92/675799292.db2.gz GCRFQXGWINLCOU-BSWAZPDLSA-N 2 1 367.515 0.513 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)O1 ZINC001047428324 675799295 /nfs/dbraw/zinc/79/92/95/675799295.db2.gz GCRFQXGWINLCOU-BSWAZPDLSA-N 2 1 367.515 0.513 20 0 FCADMP Cc1ccncc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266285972 1167879152 /nfs/dbraw/zinc/87/91/52/1167879152.db2.gz UBBPJQYSKIQREU-IEBWSBKVSA-N 2 1 359.518 0.964 20 0 FCADMP Cc1ccncc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266285972 1167879158 /nfs/dbraw/zinc/87/91/58/1167879158.db2.gz UBBPJQYSKIQREU-IEBWSBKVSA-N 2 1 359.518 0.964 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001208428271 1167924173 /nfs/dbraw/zinc/92/41/73/1167924173.db2.gz RSLYPKFPDNXMDU-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614105 1168161927 /nfs/dbraw/zinc/16/19/27/1168161927.db2.gz JMUCHLJVQCHSOW-RWQQGDIJSA-N 2 1 368.485 0.897 20 0 FCADMP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020613981 1168162052 /nfs/dbraw/zinc/16/20/52/1168162052.db2.gz CMNFRFIEYRPXTD-TVFCKZIOSA-N 2 1 368.485 0.897 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614098 1168162090 /nfs/dbraw/zinc/16/20/90/1168162090.db2.gz JFRPJUADWIKARP-QQXKLLMISA-N 2 1 370.497 0.847 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969889681 1168185811 /nfs/dbraw/zinc/18/58/11/1168185811.db2.gz ZHNFIKBKPXEHCF-FVQBIDKESA-N 2 1 359.474 0.962 20 0 FCADMP CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001272091317 1192301880 /nfs/dbraw/zinc/30/18/80/1192301880.db2.gz UMZLGWBZNWMSCU-HDICACEKSA-N 2 1 364.534 0.977 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001167298890 1168868137 /nfs/dbraw/zinc/86/81/37/1168868137.db2.gz FVHRIZMTEBCXTH-SJORKVTESA-N 2 1 358.486 0.693 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnnn2C)O1 ZINC001021298111 1168963928 /nfs/dbraw/zinc/96/39/28/1168963928.db2.gz WWFITQUJAIBOJX-CRTWOITFSA-N 2 1 362.478 0.146 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCn2cncn2)O1 ZINC001021297715 1168964937 /nfs/dbraw/zinc/96/49/37/1168964937.db2.gz TXDZJSVKLKARKO-AKBNIOSXSA-N 2 1 362.478 0.109 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCn2cncn2)O1 ZINC001021297715 1168964961 /nfs/dbraw/zinc/96/49/61/1168964961.db2.gz TXDZJSVKLKARKO-AKBNIOSXSA-N 2 1 362.478 0.109 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)O1 ZINC001021297715 1168964994 /nfs/dbraw/zinc/96/49/94/1168964994.db2.gz TXDZJSVKLKARKO-AKBNIOSXSA-N 2 1 362.478 0.109 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)O1 ZINC001021297715 1168965011 /nfs/dbraw/zinc/96/50/11/1168965011.db2.gz TXDZJSVKLKARKO-AKBNIOSXSA-N 2 1 362.478 0.109 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001744820229 1169876775 /nfs/dbraw/zinc/87/67/75/1169876775.db2.gz CIOPKTCKUTXXFW-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001021712729 1169915893 /nfs/dbraw/zinc/91/58/93/1169915893.db2.gz UBQGGOWJKDWAML-DLBZAZTESA-N 2 1 371.485 0.879 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364226 1170063651 /nfs/dbraw/zinc/06/36/51/1170063651.db2.gz SFDPCSQCWXBZRQ-CWVYHPPDSA-N 2 1 363.462 0.190 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001021808870 1170085379 /nfs/dbraw/zinc/08/53/79/1170085379.db2.gz LMCKRRNDWOMGLO-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC[N@H+]1C ZINC001022039022 1170458238 /nfs/dbraw/zinc/45/82/38/1170458238.db2.gz BQQKSNMMEKFLJK-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691080108 1170739291 /nfs/dbraw/zinc/73/92/91/1170739291.db2.gz TXHKTPMGPIUJBF-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691080108 1170739294 /nfs/dbraw/zinc/73/92/94/1170739294.db2.gz TXHKTPMGPIUJBF-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691080108 1170739299 /nfs/dbraw/zinc/73/92/99/1170739299.db2.gz TXHKTPMGPIUJBF-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691080108 1170739308 /nfs/dbraw/zinc/73/93/08/1170739308.db2.gz TXHKTPMGPIUJBF-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218914 1170765951 /nfs/dbraw/zinc/76/59/51/1170765951.db2.gz GYMWXTFRJVZTME-JKSUJKDBSA-N 2 1 357.458 0.347 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cn1 ZINC000785074530 1170779564 /nfs/dbraw/zinc/77/95/64/1170779564.db2.gz SUECXNBVKWCKSC-UHFFFAOYSA-N 2 1 360.418 0.209 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001022277114 1170824714 /nfs/dbraw/zinc/82/47/14/1170824714.db2.gz WDKMFEXUEGJWHS-VDNDLQMASA-N 2 1 360.458 0.241 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001022277114 1170824716 /nfs/dbraw/zinc/82/47/16/1170824716.db2.gz WDKMFEXUEGJWHS-VDNDLQMASA-N 2 1 360.458 0.241 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891740643 1170841091 /nfs/dbraw/zinc/84/10/91/1170841091.db2.gz WAARCBPYMBMWNQ-KSZLIROESA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891740643 1170841092 /nfs/dbraw/zinc/84/10/92/1170841092.db2.gz WAARCBPYMBMWNQ-KSZLIROESA-N 2 1 368.522 0.584 20 0 FCADMP C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@@H+](C)CC1 ZINC000891766106 1170850897 /nfs/dbraw/zinc/85/08/97/1170850897.db2.gz RJJRAAOINCOZIE-BVUBDWEXSA-N 2 1 363.462 0.213 20 0 FCADMP CCN(C(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001691211048 1170860658 /nfs/dbraw/zinc/86/06/58/1170860658.db2.gz JIYLVLBBPRIFSY-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001691211048 1170860661 /nfs/dbraw/zinc/86/06/61/1170860661.db2.gz JIYLVLBBPRIFSY-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001691211048 1170860662 /nfs/dbraw/zinc/86/06/62/1170860662.db2.gz JIYLVLBBPRIFSY-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001691211048 1170860667 /nfs/dbraw/zinc/86/06/67/1170860667.db2.gz JIYLVLBBPRIFSY-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891805843 1170881218 /nfs/dbraw/zinc/88/12/18/1170881218.db2.gz RRZPVXVWAXQSHU-ZWKOTPCHSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805843 1170881220 /nfs/dbraw/zinc/88/12/20/1170881220.db2.gz RRZPVXVWAXQSHU-ZWKOTPCHSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891805843 1170881221 /nfs/dbraw/zinc/88/12/21/1170881221.db2.gz RRZPVXVWAXQSHU-ZWKOTPCHSA-N 2 1 367.538 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691333456 1171126198 /nfs/dbraw/zinc/12/61/98/1171126198.db2.gz DRMFIVUXJMMPJM-GVDBMIGSSA-N 2 1 364.494 0.073 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001691356029 1171192257 /nfs/dbraw/zinc/19/22/57/1171192257.db2.gz FGAJKMDUVATBEG-WCXIOVBPSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891954875 1171245792 /nfs/dbraw/zinc/24/57/92/1171245792.db2.gz VTETYPRKCWTKNI-XHSDSOJGSA-N 2 1 365.478 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970226 1171356574 /nfs/dbraw/zinc/35/65/74/1171356574.db2.gz JEBMJWFCEGNBIZ-SJLPKXTDSA-N 2 1 373.501 0.486 20 0 FCADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891970372 1171360158 /nfs/dbraw/zinc/36/01/58/1171360158.db2.gz JKKXFABKZORJBC-MRXNPFEDSA-N 2 1 359.474 0.507 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456244 1192480883 /nfs/dbraw/zinc/48/08/83/1192480883.db2.gz MYTQRYUEPXKZDX-KURKYZTESA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456244 1192480888 /nfs/dbraw/zinc/48/08/88/1192480888.db2.gz MYTQRYUEPXKZDX-KURKYZTESA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456244 1192480891 /nfs/dbraw/zinc/48/08/91/1192480891.db2.gz MYTQRYUEPXKZDX-KURKYZTESA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083456244 1192480896 /nfs/dbraw/zinc/48/08/96/1192480896.db2.gz MYTQRYUEPXKZDX-KURKYZTESA-N 2 1 363.506 0.480 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892213644 1171751618 /nfs/dbraw/zinc/75/16/18/1171751618.db2.gz FXEJHTCKIHKXKG-OAGGEKHMSA-N 2 1 367.494 0.541 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249427 1172021673 /nfs/dbraw/zinc/02/16/73/1172021673.db2.gz DUYXCYGBVCNRNV-OKZBNKHCSA-N 2 1 363.502 0.811 20 0 FCADMP Cc1ccc(CN2CCO[C@H](CNC(=O)NC[C@@H]3COCCN3)C2)cc1 ZINC000892289948 1172023156 /nfs/dbraw/zinc/02/31/56/1172023156.db2.gz PBZCIXTZSCDQMD-QZTJIDSGSA-N 2 1 362.474 0.483 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@H+]1C ZINC000972430345 1172134049 /nfs/dbraw/zinc/13/40/49/1172134049.db2.gz BVMVBHZLSOOOCB-XMTFNYHQSA-N 2 1 374.529 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000989054353 1192664022 /nfs/dbraw/zinc/66/40/22/1192664022.db2.gz PAPABMLAXSTVJF-PVAVHDDUSA-N 2 1 361.490 0.941 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897560458 1192810290 /nfs/dbraw/zinc/81/02/90/1192810290.db2.gz SABNTBVMFSHRHE-LSDHHAIUSA-N 2 1 357.458 0.472 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898005882 1192853456 /nfs/dbraw/zinc/85/34/56/1192853456.db2.gz KVDNNSFZTLMYMB-RKVPGOIHSA-N 2 1 371.485 0.718 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001691552281 1192873540 /nfs/dbraw/zinc/87/35/40/1192873540.db2.gz BRIBTNZFNMZKJE-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001691552281 1192873541 /nfs/dbraw/zinc/87/35/41/1192873541.db2.gz BRIBTNZFNMZKJE-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001691552281 1192873543 /nfs/dbraw/zinc/87/35/43/1192873543.db2.gz BRIBTNZFNMZKJE-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001691579030 1192891411 /nfs/dbraw/zinc/89/14/11/1192891411.db2.gz WJUNBYKTNKIOKF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001691579030 1192891412 /nfs/dbraw/zinc/89/14/12/1192891412.db2.gz WJUNBYKTNKIOKF-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001691579029 1192891438 /nfs/dbraw/zinc/89/14/38/1192891438.db2.gz WJUNBYKTNKIOKF-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001691579029 1192891441 /nfs/dbraw/zinc/89/14/41/1192891441.db2.gz WJUNBYKTNKIOKF-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493477 1179436283 /nfs/dbraw/zinc/43/62/83/1179436283.db2.gz ZFTLOTLUEVJGAF-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087249321 1180025465 /nfs/dbraw/zinc/02/54/65/1180025465.db2.gz WBOFMEPKYALGGV-CVEARBPZSA-N 2 1 363.510 0.803 20 0 FCADMP [NH3+][C@@H](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000892409752 1180580817 /nfs/dbraw/zinc/58/08/17/1180580817.db2.gz BHCIEQOPNZYYJE-ROUUACIJSA-N 2 1 373.501 0.552 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC000972738237 1180682546 /nfs/dbraw/zinc/68/25/46/1180682546.db2.gz VDBMTHUYKIBXGR-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC000972738237 1180682557 /nfs/dbraw/zinc/68/25/57/1180682557.db2.gz VDBMTHUYKIBXGR-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939760 1181545807 /nfs/dbraw/zinc/54/58/07/1181545807.db2.gz QZBFGMNWYZNFKN-LPHOPBHVSA-N 2 1 361.490 0.834 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939760 1181545814 /nfs/dbraw/zinc/54/58/14/1181545814.db2.gz QZBFGMNWYZNFKN-LPHOPBHVSA-N 2 1 361.490 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)C[C@H](C)[N@@H+]1C ZINC000892520949 1181714136 /nfs/dbraw/zinc/71/41/36/1181714136.db2.gz YDKIOGIBWOUSIO-OKILXGFUSA-N 2 1 357.462 0.960 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083274726 1181760282 /nfs/dbraw/zinc/76/02/82/1181760282.db2.gz XHNRAVQFGUWKEJ-OWCLPIDISA-N 2 1 363.462 0.174 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083274726 1181760291 /nfs/dbraw/zinc/76/02/91/1181760291.db2.gz XHNRAVQFGUWKEJ-OWCLPIDISA-N 2 1 363.462 0.174 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274726 1181760300 /nfs/dbraw/zinc/76/03/00/1181760300.db2.gz XHNRAVQFGUWKEJ-OWCLPIDISA-N 2 1 363.462 0.174 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274726 1181760311 /nfs/dbraw/zinc/76/03/11/1181760311.db2.gz XHNRAVQFGUWKEJ-OWCLPIDISA-N 2 1 363.462 0.174 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000892536628 1181782813 /nfs/dbraw/zinc/78/28/13/1181782813.db2.gz RVIWIJZKQBOKOR-MSOLQXFVSA-N 2 1 362.474 0.565 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000892536628 1181782817 /nfs/dbraw/zinc/78/28/17/1181782817.db2.gz RVIWIJZKQBOKOR-MSOLQXFVSA-N 2 1 362.474 0.565 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579349 1182185629 /nfs/dbraw/zinc/18/56/29/1182185629.db2.gz ANSNUEGZLASJHD-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579349 1182185734 /nfs/dbraw/zinc/18/57/34/1182185734.db2.gz ANSNUEGZLASJHD-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000973417339 1182297742 /nfs/dbraw/zinc/29/77/42/1182297742.db2.gz PQSWUYDIJKHQFW-KLHDSHLOSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000973417339 1182297749 /nfs/dbraw/zinc/29/77/49/1182297749.db2.gz PQSWUYDIJKHQFW-KLHDSHLOSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104682460 1182366244 /nfs/dbraw/zinc/36/62/44/1182366244.db2.gz RNXOCMXHOCUFHL-ZIAGYGMSSA-N 2 1 363.462 0.444 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104874220 1182968345 /nfs/dbraw/zinc/96/83/45/1182968345.db2.gz PMOURKNZPLCFKY-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010596 1183067751 /nfs/dbraw/zinc/06/77/51/1183067751.db2.gz RMHWOVXLZHHWFM-OAGGEKHMSA-N 2 1 363.510 0.609 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001105013490 1183068425 /nfs/dbraw/zinc/06/84/25/1183068425.db2.gz ORQUFSIUFGHTHS-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000974272536 1183084077 /nfs/dbraw/zinc/08/40/77/1183084077.db2.gz HBYXQGMWXPXAGW-LVQVYYBASA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000974272536 1183084085 /nfs/dbraw/zinc/08/40/85/1183084085.db2.gz HBYXQGMWXPXAGW-LVQVYYBASA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000974272536 1183084090 /nfs/dbraw/zinc/08/40/90/1183084090.db2.gz HBYXQGMWXPXAGW-LVQVYYBASA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000974272536 1183084103 /nfs/dbraw/zinc/08/41/03/1183084103.db2.gz HBYXQGMWXPXAGW-LVQVYYBASA-N 2 1 366.506 0.201 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001105041236 1183090075 /nfs/dbraw/zinc/09/00/75/1183090075.db2.gz AIVBRVDWDZHJOB-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001105041236 1183090086 /nfs/dbraw/zinc/09/00/86/1183090086.db2.gz AIVBRVDWDZHJOB-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000974545342 1183327336 /nfs/dbraw/zinc/32/73/36/1183327336.db2.gz SHGKLCLWYRYTLB-JFIYKMOQSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000974583594 1183363795 /nfs/dbraw/zinc/36/37/95/1183363795.db2.gz LLUXNCFEZXDNET-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000974583594 1183363801 /nfs/dbraw/zinc/36/38/01/1183363801.db2.gz LLUXNCFEZXDNET-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001026853931 1183424651 /nfs/dbraw/zinc/42/46/51/1183424651.db2.gz VXTUEQUEIHQFFA-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001026855293 1183424704 /nfs/dbraw/zinc/42/47/04/1183424704.db2.gz DKKNKQIDQZWIQA-QLFBSQMISA-N 2 1 364.494 0.804 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001026855293 1183424707 /nfs/dbraw/zinc/42/47/07/1183424707.db2.gz DKKNKQIDQZWIQA-QLFBSQMISA-N 2 1 364.494 0.804 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975227987 1183789458 /nfs/dbraw/zinc/78/94/58/1183789458.db2.gz XQXWGHAIYRFWEK-YSVLISHTSA-N 2 1 359.474 0.662 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717962 1185635320 /nfs/dbraw/zinc/63/53/20/1185635320.db2.gz AZGVSQFGTZBQAG-BQFCYCMXSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717962 1185635333 /nfs/dbraw/zinc/63/53/33/1185635333.db2.gz AZGVSQFGTZBQAG-BQFCYCMXSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978882494 1186021126 /nfs/dbraw/zinc/02/11/26/1186021126.db2.gz HHFDGTPHBAYTAH-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978882494 1186021134 /nfs/dbraw/zinc/02/11/34/1186021134.db2.gz HHFDGTPHBAYTAH-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978882494 1186021140 /nfs/dbraw/zinc/02/11/40/1186021140.db2.gz HHFDGTPHBAYTAH-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978882494 1186021145 /nfs/dbraw/zinc/02/11/45/1186021145.db2.gz HHFDGTPHBAYTAH-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978882494 1186021150 /nfs/dbraw/zinc/02/11/50/1186021150.db2.gz HHFDGTPHBAYTAH-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000978970889 1186039785 /nfs/dbraw/zinc/03/97/85/1186039785.db2.gz SIDQKEODIUOXNK-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000978970889 1186039789 /nfs/dbraw/zinc/03/97/89/1186039789.db2.gz SIDQKEODIUOXNK-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000978970889 1186039794 /nfs/dbraw/zinc/03/97/94/1186039794.db2.gz SIDQKEODIUOXNK-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000978970889 1186039808 /nfs/dbraw/zinc/03/98/08/1186039808.db2.gz SIDQKEODIUOXNK-OVYGPGRDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979857518 1186131924 /nfs/dbraw/zinc/13/19/24/1186131924.db2.gz BXDKKTCQOUKUGJ-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979857518 1186131930 /nfs/dbraw/zinc/13/19/30/1186131930.db2.gz BXDKKTCQOUKUGJ-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979857518 1186131935 /nfs/dbraw/zinc/13/19/35/1186131935.db2.gz BXDKKTCQOUKUGJ-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979857518 1186131940 /nfs/dbraw/zinc/13/19/40/1186131940.db2.gz BXDKKTCQOUKUGJ-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981785754 1186521346 /nfs/dbraw/zinc/52/13/46/1186521346.db2.gz ONVLUVLWFKRLTE-JKSUJKDBSA-N 2 1 359.474 0.688 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CN(CC)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001745459001 1186595638 /nfs/dbraw/zinc/59/56/38/1186595638.db2.gz VBRVBWMAEWHVEX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001745459001 1186595640 /nfs/dbraw/zinc/59/56/40/1186595640.db2.gz VBRVBWMAEWHVEX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001745459001 1186595644 /nfs/dbraw/zinc/59/56/44/1186595644.db2.gz VBRVBWMAEWHVEX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001745459001 1186595647 /nfs/dbraw/zinc/59/56/47/1186595647.db2.gz VBRVBWMAEWHVEX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001745459001 1186595651 /nfs/dbraw/zinc/59/56/51/1186595651.db2.gz VBRVBWMAEWHVEX-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211703151 1186601631 /nfs/dbraw/zinc/60/16/31/1186601631.db2.gz WVZXLMUEIAZEMH-CEXWTWQISA-N 2 1 363.502 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619714 1186713924 /nfs/dbraw/zinc/71/39/24/1186713924.db2.gz MHLSUBMKBPSPBV-CWRNSKLLSA-N 2 1 370.457 0.150 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619714 1186713938 /nfs/dbraw/zinc/71/39/38/1186713938.db2.gz MHLSUBMKBPSPBV-CWRNSKLLSA-N 2 1 370.457 0.150 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619714 1186714034 /nfs/dbraw/zinc/71/40/34/1186714034.db2.gz MHLSUBMKBPSPBV-CWRNSKLLSA-N 2 1 370.457 0.150 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619714 1186714225 /nfs/dbraw/zinc/71/42/25/1186714225.db2.gz MHLSUBMKBPSPBV-CWRNSKLLSA-N 2 1 370.457 0.150 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723588 1187470923 /nfs/dbraw/zinc/47/09/23/1187470923.db2.gz XZVPSJZKQRGPNB-DLBZAZTESA-N 2 1 355.442 0.522 20 0 FCADMP C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001481998615 1187568165 /nfs/dbraw/zinc/56/81/65/1187568165.db2.gz CSZGAMNETVTMIR-GZBFAFLISA-N 2 1 367.494 0.128 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CCOCC1 ZINC000549881989 1187574731 /nfs/dbraw/zinc/57/47/31/1187574731.db2.gz FXYBVVUOCOFHRJ-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881989 1187574733 /nfs/dbraw/zinc/57/47/33/1187574733.db2.gz FXYBVVUOCOFHRJ-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881989 1187574735 /nfs/dbraw/zinc/57/47/35/1187574735.db2.gz FXYBVVUOCOFHRJ-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982570729 1187584373 /nfs/dbraw/zinc/58/43/73/1187584373.db2.gz DQEGYJXHCSHXCL-TUYGXSOUSA-N 2 1 371.485 0.583 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083372709 1187693978 /nfs/dbraw/zinc/69/39/78/1187693978.db2.gz BIDZPWOSPFDLFZ-QYZOEREBSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083372709 1187693982 /nfs/dbraw/zinc/69/39/82/1187693982.db2.gz BIDZPWOSPFDLFZ-QYZOEREBSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083372709 1187693984 /nfs/dbraw/zinc/69/39/84/1187693984.db2.gz BIDZPWOSPFDLFZ-QYZOEREBSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083372709 1187693988 /nfs/dbraw/zinc/69/39/88/1187693988.db2.gz BIDZPWOSPFDLFZ-QYZOEREBSA-N 2 1 361.486 0.883 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000982994244 1187809446 /nfs/dbraw/zinc/80/94/46/1187809446.db2.gz ZTRXNIVXNNRRMW-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000982994244 1187809447 /nfs/dbraw/zinc/80/94/47/1187809447.db2.gz ZTRXNIVXNNRRMW-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CN(CC(=O)N1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1)C(N)=[NH2+] ZINC001269992290 1187961433 /nfs/dbraw/zinc/96/14/33/1187961433.db2.gz FPRQZPIMUNGRMK-GOSISDBHSA-N 2 1 361.494 0.413 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCc4c[nH+]cn43)C2)C1=O ZINC001270287171 1188081459 /nfs/dbraw/zinc/08/14/59/1188081459.db2.gz VYRASZLJKGMRAX-VQIMIIECSA-N 2 1 359.474 0.773 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261953840 1188117024 /nfs/dbraw/zinc/11/70/24/1188117024.db2.gz ZLCYUEKYIBTYFV-GJZGRUSLSA-N 2 1 367.494 0.048 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261953840 1188117030 /nfs/dbraw/zinc/11/70/30/1188117030.db2.gz ZLCYUEKYIBTYFV-GJZGRUSLSA-N 2 1 367.494 0.048 20 0 FCADMP Cn1cncc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001270488265 1188170143 /nfs/dbraw/zinc/17/01/43/1188170143.db2.gz BAIJLFYURIAGTQ-GOEBONIOSA-N 2 1 359.474 0.617 20 0 FCADMP Cn1cncc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001270488267 1188170212 /nfs/dbraw/zinc/17/02/12/1188170212.db2.gz BAIJLFYURIAGTQ-HOCLYGCPSA-N 2 1 359.474 0.617 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cccc5nccn54)CC3)[C@H]2C1 ZINC001270496585 1188176680 /nfs/dbraw/zinc/17/66/80/1188176680.db2.gz PNSVHYVQPVNBFP-KBPBESRZSA-N 2 1 353.426 0.617 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000550136514 1188233605 /nfs/dbraw/zinc/23/36/05/1188233605.db2.gz HCIBJTUUCJCDPU-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000550136514 1188233609 /nfs/dbraw/zinc/23/36/09/1188233609.db2.gz HCIBJTUUCJCDPU-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601901 1188235422 /nfs/dbraw/zinc/23/54/22/1188235422.db2.gz NMAQPWMMYZRUQI-IAGOWNOFSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000894601901 1188235426 /nfs/dbraw/zinc/23/54/26/1188235426.db2.gz NMAQPWMMYZRUQI-IAGOWNOFSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000894601901 1188235427 /nfs/dbraw/zinc/23/54/27/1188235427.db2.gz NMAQPWMMYZRUQI-IAGOWNOFSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000894788589 1188250599 /nfs/dbraw/zinc/25/05/99/1188250599.db2.gz UDSBNLRAZQUAOV-XYTVBORESA-N 2 1 365.522 0.711 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000894788589 1188250604 /nfs/dbraw/zinc/25/06/04/1188250604.db2.gz UDSBNLRAZQUAOV-XYTVBORESA-N 2 1 365.522 0.711 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000894788589 1188250606 /nfs/dbraw/zinc/25/06/06/1188250606.db2.gz UDSBNLRAZQUAOV-XYTVBORESA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCc4ncnn43)C2)CC[N@H+]1C ZINC000983714310 1188281362 /nfs/dbraw/zinc/28/13/62/1188281362.db2.gz PSTONZIMYSKASJ-QUSNUVHPSA-N 2 1 360.506 0.980 20 0 FCADMP C[C@H]([NH2+]Cc1cnn(C)n1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111684 1188293058 /nfs/dbraw/zinc/29/30/58/1188293058.db2.gz MRPWNPWHTHCCFA-JKIFEVAISA-N 2 1 364.494 0.251 20 0 FCADMP C[C@H]([NH2+]Cc1cn(C)nn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111800 1188293289 /nfs/dbraw/zinc/29/32/89/1188293289.db2.gz OPPYUVQVRAXESB-JKIFEVAISA-N 2 1 364.494 0.251 20 0 FCADMP C[C@H]([NH2+]Cc1cn(C)nn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111800 1188293291 /nfs/dbraw/zinc/29/32/91/1188293291.db2.gz OPPYUVQVRAXESB-JKIFEVAISA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112069 1188293761 /nfs/dbraw/zinc/29/37/61/1188293761.db2.gz UVKXCQJJFWSDPH-CKEIUWERSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]([NH2+]Cc1cnnn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112069 1188293765 /nfs/dbraw/zinc/29/37/65/1188293765.db2.gz UVKXCQJJFWSDPH-CKEIUWERSA-N 2 1 364.494 0.251 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)c3cccn4c[nH+]cc34)C2)C1=O ZINC001270830636 1188327602 /nfs/dbraw/zinc/32/76/02/1188327602.db2.gz UWBVMIWNQOJNGQ-LJQANCHMSA-N 2 1 355.442 0.961 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550383829 1188344228 /nfs/dbraw/zinc/34/42/28/1188344228.db2.gz VFQZMNXINUEFOG-KRWDZBQOSA-N 2 1 369.554 0.175 20 0 FCADMP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001746848444 1188361222 /nfs/dbraw/zinc/36/12/22/1188361222.db2.gz OSFGJLFPKCOBMY-BZUAXINKSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000550413851 1188367457 /nfs/dbraw/zinc/36/74/57/1188367457.db2.gz DQNGVLXCMBLLAO-MAUKXSAKSA-N 2 1 360.502 0.874 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075799026 1188423246 /nfs/dbraw/zinc/42/32/46/1188423246.db2.gz YVOORBUHCARYIK-CGTJXYLNSA-N 2 1 371.485 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075799026 1188423252 /nfs/dbraw/zinc/42/32/52/1188423252.db2.gz YVOORBUHCARYIK-CGTJXYLNSA-N 2 1 371.485 0.860 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000984006442 1189366418 /nfs/dbraw/zinc/36/64/18/1189366418.db2.gz HUWFVNVGYZSNMU-UTRMSSBJSA-N 2 1 361.486 0.882 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC000984006442 1189366423 /nfs/dbraw/zinc/36/64/23/1189366423.db2.gz HUWFVNVGYZSNMU-UTRMSSBJSA-N 2 1 361.486 0.882 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC000984015260 1189372402 /nfs/dbraw/zinc/37/24/02/1189372402.db2.gz NRSVKMBGTHXSKF-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC000984015260 1189372406 /nfs/dbraw/zinc/37/24/06/1189372406.db2.gz NRSVKMBGTHXSKF-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC000984015262 1189372438 /nfs/dbraw/zinc/37/24/38/1189372438.db2.gz NRSVKMBGTHXSKF-ZHCJQAHYSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC000984015262 1189372441 /nfs/dbraw/zinc/37/24/41/1189372441.db2.gz NRSVKMBGTHXSKF-ZHCJQAHYSA-N 2 1 366.506 0.106 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000984017082 1189374895 /nfs/dbraw/zinc/37/48/95/1189374895.db2.gz XRSFORJEUZDFJQ-KCYZZUKISA-N 2 1 364.494 0.563 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000984017082 1189374903 /nfs/dbraw/zinc/37/49/03/1189374903.db2.gz XRSFORJEUZDFJQ-KCYZZUKISA-N 2 1 364.494 0.563 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087578892 1189618361 /nfs/dbraw/zinc/61/83/61/1189618361.db2.gz VSXYVMOWKDHUTF-BYNSBNAKSA-N 2 1 364.494 0.308 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087578892 1189618366 /nfs/dbraw/zinc/61/83/66/1189618366.db2.gz VSXYVMOWKDHUTF-BYNSBNAKSA-N 2 1 364.494 0.308 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087727261 1189804034 /nfs/dbraw/zinc/80/40/34/1189804034.db2.gz NRNXVSVJEHNRCC-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087727261 1189804035 /nfs/dbraw/zinc/80/40/35/1189804035.db2.gz NRNXVSVJEHNRCC-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087727261 1189804038 /nfs/dbraw/zinc/80/40/38/1189804038.db2.gz NRNXVSVJEHNRCC-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087797702 1189828020 /nfs/dbraw/zinc/82/80/20/1189828020.db2.gz DZCQUAVDVIFDQW-YESZJQIVSA-N 2 1 361.490 0.309 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CC(=O)Nc1cnccn1 ZINC001087828269 1189841276 /nfs/dbraw/zinc/84/12/76/1189841276.db2.gz FTQGGEORSXNXLX-QLFBSQMISA-N 2 1 360.462 0.336 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087830674 1189842235 /nfs/dbraw/zinc/84/22/35/1189842235.db2.gz SLQHDSRKPIULSH-LSDHHAIUSA-N 2 1 361.446 0.310 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087830674 1189842236 /nfs/dbraw/zinc/84/22/36/1189842236.db2.gz SLQHDSRKPIULSH-LSDHHAIUSA-N 2 1 361.446 0.310 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCN1CCNC1=O ZINC001087840621 1189848348 /nfs/dbraw/zinc/84/83/48/1189848348.db2.gz GNWBCYYJVSDNPX-GVDBMIGSSA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCN1CCNC1=O ZINC001087840621 1189848349 /nfs/dbraw/zinc/84/83/49/1189848349.db2.gz GNWBCYYJVSDNPX-GVDBMIGSSA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCN1CCNC1=O ZINC001087840621 1189848351 /nfs/dbraw/zinc/84/83/51/1189848351.db2.gz GNWBCYYJVSDNPX-GVDBMIGSSA-N 2 1 365.522 0.855 20 0 FCADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972993 1190033567 /nfs/dbraw/zinc/03/35/67/1190033567.db2.gz FOPHKJCFXLHGMP-RVKKMQEKSA-N 2 1 361.490 0.953 20 0 FCADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972993 1190033570 /nfs/dbraw/zinc/03/35/70/1190033570.db2.gz FOPHKJCFXLHGMP-RVKKMQEKSA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972993 1190033576 /nfs/dbraw/zinc/03/35/76/1190033576.db2.gz FOPHKJCFXLHGMP-RVKKMQEKSA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972993 1190033579 /nfs/dbraw/zinc/03/35/79/1190033579.db2.gz FOPHKJCFXLHGMP-RVKKMQEKSA-N 2 1 361.490 0.953 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014163 1190216617 /nfs/dbraw/zinc/21/66/17/1190216617.db2.gz IOACXNYSJARNGS-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014163 1190216622 /nfs/dbraw/zinc/21/66/22/1190216622.db2.gz IOACXNYSJARNGS-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014163 1190216626 /nfs/dbraw/zinc/21/66/26/1190216626.db2.gz IOACXNYSJARNGS-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cncc4C3)C[C@@H]2C1 ZINC001088017378 1190225759 /nfs/dbraw/zinc/22/57/59/1190225759.db2.gz YKHIPTHFTNGSER-OAGGEKHMSA-N 2 1 359.474 0.314 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088064592 1190343419 /nfs/dbraw/zinc/34/34/19/1190343419.db2.gz MAEBXMVPQUAPQL-IKGGRYGDSA-N 2 1 362.518 0.872 20 0 FCADMP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)nn1 ZINC001088090947 1190542878 /nfs/dbraw/zinc/54/28/78/1190542878.db2.gz OKGWROVHBHQJRZ-SJORKVTESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)nn1 ZINC001088090947 1190542894 /nfs/dbraw/zinc/54/28/94/1190542894.db2.gz OKGWROVHBHQJRZ-SJORKVTESA-N 2 1 360.506 0.920 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090681 1190544258 /nfs/dbraw/zinc/54/42/58/1190544258.db2.gz BFQRWJNRCFQRSF-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP CCn1ncnc1CN1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106333 1190588967 /nfs/dbraw/zinc/58/89/67/1190588967.db2.gz WFUHREZGLFYMQO-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105758 1190592160 /nfs/dbraw/zinc/59/21/60/1190592160.db2.gz BJFXIDSNOBIDKG-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105758 1190592169 /nfs/dbraw/zinc/59/21/69/1190592169.db2.gz BJFXIDSNOBIDKG-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105758 1190592180 /nfs/dbraw/zinc/59/21/80/1190592180.db2.gz BJFXIDSNOBIDKG-BBWFWOEESA-N 2 1 363.506 0.276 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088125970 1190619324 /nfs/dbraw/zinc/61/93/24/1190619324.db2.gz ISYZUMUEMWUSKV-OWCLPIDISA-N 2 1 359.474 0.675 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088125970 1190619325 /nfs/dbraw/zinc/61/93/25/1190619325.db2.gz ISYZUMUEMWUSKV-OWCLPIDISA-N 2 1 359.474 0.675 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)on1 ZINC001088140294 1190658959 /nfs/dbraw/zinc/65/89/59/1190658959.db2.gz DQMRLRCYPABJGV-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)on1 ZINC001088140294 1190658965 /nfs/dbraw/zinc/65/89/65/1190658965.db2.gz DQMRLRCYPABJGV-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)CC[C@@H]3C2)CC1 ZINC001088150556 1190673580 /nfs/dbraw/zinc/67/35/80/1190673580.db2.gz KFLVNVTZSODSAG-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001075876556 1190795798 /nfs/dbraw/zinc/79/57/98/1190795798.db2.gz RAZSBXUOKYMBOP-RCCFBDPRSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001075876556 1190795802 /nfs/dbraw/zinc/79/58/02/1190795802.db2.gz RAZSBXUOKYMBOP-RCCFBDPRSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001075876556 1190795806 /nfs/dbraw/zinc/79/58/06/1190795806.db2.gz RAZSBXUOKYMBOP-RCCFBDPRSA-N 2 1 360.506 0.789 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000985825175 1190825627 /nfs/dbraw/zinc/82/56/27/1190825627.db2.gz XHVGGIDLDLZLLO-IKGGRYGDSA-N 2 1 360.502 0.483 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830785 1190828358 /nfs/dbraw/zinc/82/83/58/1190828358.db2.gz IKJUHZJVMLZCLQ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830785 1190828360 /nfs/dbraw/zinc/82/83/60/1190828360.db2.gz IKJUHZJVMLZCLQ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1)C1CCC1 ZINC000985830785 1190828362 /nfs/dbraw/zinc/82/83/62/1190828362.db2.gz IKJUHZJVMLZCLQ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)CCO1 ZINC001168118132 1190837299 /nfs/dbraw/zinc/83/72/99/1190837299.db2.gz ONRSWLYLCGLOHM-HUUCEWRRSA-N 2 1 361.490 0.733 20 0 FCADMP C[C@@H]1C[C@H](N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)CCO1 ZINC001168118132 1190837300 /nfs/dbraw/zinc/83/73/00/1190837300.db2.gz ONRSWLYLCGLOHM-HUUCEWRRSA-N 2 1 361.490 0.733 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059679354 1190870642 /nfs/dbraw/zinc/87/06/42/1190870642.db2.gz HFRATHDASNEVRU-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059679354 1190870645 /nfs/dbraw/zinc/87/06/45/1190870645.db2.gz HFRATHDASNEVRU-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986482668 1191006403 /nfs/dbraw/zinc/00/64/03/1191006403.db2.gz LVWYDCUZBMLZTA-XMTFNYHQSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001059730233 1191049697 /nfs/dbraw/zinc/04/96/97/1191049697.db2.gz BPTBMZSZVUYFON-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1noc(CN(C)CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029972149 1191053326 /nfs/dbraw/zinc/05/33/26/1191053326.db2.gz DBYYBNPPKZEXBW-CZUORRHYSA-N 2 1 365.478 0.768 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059731982 1191062364 /nfs/dbraw/zinc/06/23/64/1191062364.db2.gz HLEVRBZYAIBHNI-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059731982 1191062371 /nfs/dbraw/zinc/06/23/71/1191062371.db2.gz HLEVRBZYAIBHNI-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886576 1191117795 /nfs/dbraw/zinc/11/77/95/1191117795.db2.gz ZUJNFMQMVIGHMD-USXIJHARSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886576 1191117798 /nfs/dbraw/zinc/11/77/98/1191117798.db2.gz ZUJNFMQMVIGHMD-USXIJHARSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886576 1191117801 /nfs/dbraw/zinc/11/78/01/1191117801.db2.gz ZUJNFMQMVIGHMD-USXIJHARSA-N 2 1 358.490 0.782 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860664 1224129148 /nfs/dbraw/zinc/12/91/48/1224129148.db2.gz GHHPKFYSXYEADE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860664 1224129152 /nfs/dbraw/zinc/12/91/52/1224129152.db2.gz GHHPKFYSXYEADE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860664 1224129153 /nfs/dbraw/zinc/12/91/53/1224129153.db2.gz GHHPKFYSXYEADE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860664 1224129156 /nfs/dbraw/zinc/12/91/56/1224129156.db2.gz GHHPKFYSXYEADE-OKZBNKHCSA-N 2 1 369.506 0.434 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3cncn3C)C2)CC[N@H+]1C ZINC000988143264 1191152926 /nfs/dbraw/zinc/15/29/26/1191152926.db2.gz VTKALIZOPDJXKZ-BFYDXBDKSA-N 2 1 361.490 0.610 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088572010 1191207650 /nfs/dbraw/zinc/20/76/50/1191207650.db2.gz UYSLEZUFPQVMMA-XWIAVFTESA-N 2 1 360.506 0.816 20 0 FCADMP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161597 1224143830 /nfs/dbraw/zinc/14/38/30/1224143830.db2.gz GXHRIWACWQJOIA-XMTFNYHQSA-N 2 1 369.506 0.434 20 0 FCADMP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161597 1224143831 /nfs/dbraw/zinc/14/38/31/1224143831.db2.gz GXHRIWACWQJOIA-XMTFNYHQSA-N 2 1 369.506 0.434 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)CCCC1 ZINC001218363598 1224156361 /nfs/dbraw/zinc/15/63/61/1224156361.db2.gz WZJRVLHDXVYOKR-DLBZAZTESA-N 2 1 369.506 0.171 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)CCCC1 ZINC001218363598 1224156366 /nfs/dbraw/zinc/15/63/66/1224156366.db2.gz WZJRVLHDXVYOKR-DLBZAZTESA-N 2 1 369.506 0.171 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000550659727 1193727410 /nfs/dbraw/zinc/72/74/10/1193727410.db2.gz CRAVGRUGXFHKBF-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000550664705 1193729799 /nfs/dbraw/zinc/72/97/99/1193729799.db2.gz VYQINTDJBZCDPY-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000550664705 1193729803 /nfs/dbraw/zinc/72/98/03/1193729803.db2.gz VYQINTDJBZCDPY-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664705 1193729807 /nfs/dbraw/zinc/72/98/07/1193729807.db2.gz VYQINTDJBZCDPY-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664705 1193729808 /nfs/dbraw/zinc/72/98/08/1193729808.db2.gz VYQINTDJBZCDPY-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691581921 1193735666 /nfs/dbraw/zinc/73/56/66/1193735666.db2.gz IKNWFSNLFPINIS-ZACQAIPSSA-N 2 1 352.523 0.975 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000550709029 1193739024 /nfs/dbraw/zinc/73/90/24/1193739024.db2.gz ZOIQEYZDUMVSNN-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000550709029 1193739026 /nfs/dbraw/zinc/73/90/26/1193739026.db2.gz ZOIQEYZDUMVSNN-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000550709029 1193739029 /nfs/dbraw/zinc/73/90/29/1193739029.db2.gz ZOIQEYZDUMVSNN-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551024457 1193828443 /nfs/dbraw/zinc/82/84/43/1193828443.db2.gz IQQIIDVZZGSXRQ-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551024457 1193828445 /nfs/dbraw/zinc/82/84/45/1193828445.db2.gz IQQIIDVZZGSXRQ-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000551047171 1193829682 /nfs/dbraw/zinc/82/96/82/1193829682.db2.gz WPKVTVCEYJXXAU-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000551047171 1193829683 /nfs/dbraw/zinc/82/96/83/1193829683.db2.gz WPKVTVCEYJXXAU-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000551160102 1193838023 /nfs/dbraw/zinc/83/80/23/1193838023.db2.gz ZPLFCBVMZVCYPF-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CCn1cncn1 ZINC001088737183 1193875748 /nfs/dbraw/zinc/87/57/48/1193875748.db2.gz GCLPDTMFZSQJJZ-ZBFHGGJFSA-N 2 1 366.429 0.752 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472659 1193903709 /nfs/dbraw/zinc/90/37/09/1193903709.db2.gz KJYDMWVPGYOTMP-XEKGUZQTSA-N 2 1 374.485 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472659 1193903711 /nfs/dbraw/zinc/90/37/11/1193903711.db2.gz KJYDMWVPGYOTMP-XEKGUZQTSA-N 2 1 374.485 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472659 1193903716 /nfs/dbraw/zinc/90/37/16/1193903716.db2.gz KJYDMWVPGYOTMP-XEKGUZQTSA-N 2 1 374.485 0.647 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472659 1193903717 /nfs/dbraw/zinc/90/37/17/1193903717.db2.gz KJYDMWVPGYOTMP-XEKGUZQTSA-N 2 1 374.485 0.647 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472758 1193904740 /nfs/dbraw/zinc/90/47/40/1193904740.db2.gz PBUPHVBYTIPGOQ-DZUCGIPZSA-N 2 1 361.490 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472758 1193904743 /nfs/dbraw/zinc/90/47/43/1193904743.db2.gz PBUPHVBYTIPGOQ-DZUCGIPZSA-N 2 1 361.490 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472758 1193904748 /nfs/dbraw/zinc/90/47/48/1193904748.db2.gz PBUPHVBYTIPGOQ-DZUCGIPZSA-N 2 1 361.490 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472758 1193904752 /nfs/dbraw/zinc/90/47/52/1193904752.db2.gz PBUPHVBYTIPGOQ-DZUCGIPZSA-N 2 1 361.490 0.149 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472708 1193905396 /nfs/dbraw/zinc/90/53/96/1193905396.db2.gz MSADYNKHBIMVLZ-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472708 1193905401 /nfs/dbraw/zinc/90/54/01/1193905401.db2.gz MSADYNKHBIMVLZ-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472708 1193905407 /nfs/dbraw/zinc/90/54/07/1193905407.db2.gz MSADYNKHBIMVLZ-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472708 1193905411 /nfs/dbraw/zinc/90/54/11/1193905411.db2.gz MSADYNKHBIMVLZ-AXUOBQJMSA-N 2 1 361.486 0.835 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC1=O ZINC000552351173 1193925002 /nfs/dbraw/zinc/92/50/02/1193925002.db2.gz RYSZLMWPJYVROZ-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667273 1193929107 /nfs/dbraw/zinc/92/91/07/1193929107.db2.gz AFEMMLHNZIMQMK-PSBWJHGTSA-N 2 1 364.490 0.540 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552471981 1193932533 /nfs/dbraw/zinc/93/25/33/1193932533.db2.gz ZJJITUWNZJLTIU-AWEZNQCLSA-N 2 1 366.506 0.345 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000552487031 1193936573 /nfs/dbraw/zinc/93/65/73/1193936573.db2.gz FJSGEHJNDNRKFQ-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000552487031 1193936576 /nfs/dbraw/zinc/93/65/76/1193936576.db2.gz FJSGEHJNDNRKFQ-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487031 1193936581 /nfs/dbraw/zinc/93/65/81/1193936581.db2.gz FJSGEHJNDNRKFQ-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487031 1193936585 /nfs/dbraw/zinc/93/65/85/1193936585.db2.gz FJSGEHJNDNRKFQ-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000552539063 1193938399 /nfs/dbraw/zinc/93/83/99/1193938399.db2.gz WLOVDJGOFIMMHI-IRXDYDNUSA-N 2 1 368.522 0.309 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000552751599 1193950660 /nfs/dbraw/zinc/95/06/60/1193950660.db2.gz ZGZGOKLWIYVRDD-UHFFFAOYSA-N 2 1 372.513 0.974 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000552751599 1193950663 /nfs/dbraw/zinc/95/06/63/1193950663.db2.gz ZGZGOKLWIYVRDD-UHFFFAOYSA-N 2 1 372.513 0.974 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553094503 1193971179 /nfs/dbraw/zinc/97/11/79/1193971179.db2.gz DVHWQAUKDSEUNB-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000553353451 1193990759 /nfs/dbraw/zinc/99/07/59/1193990759.db2.gz ABEZJXUJQMPXFU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000553353451 1193990762 /nfs/dbraw/zinc/99/07/62/1193990762.db2.gz ABEZJXUJQMPXFU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000553353451 1193990764 /nfs/dbraw/zinc/99/07/64/1193990764.db2.gz ABEZJXUJQMPXFU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000553353451 1193990766 /nfs/dbraw/zinc/99/07/66/1193990766.db2.gz ABEZJXUJQMPXFU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630952 1224185483 /nfs/dbraw/zinc/18/54/83/1224185483.db2.gz NVOWJHUVBZNTRG-RYQLBKOJSA-N 2 1 362.474 0.702 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630952 1224185491 /nfs/dbraw/zinc/18/54/91/1224185491.db2.gz NVOWJHUVBZNTRG-RYQLBKOJSA-N 2 1 362.474 0.702 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188611 1194084600 /nfs/dbraw/zinc/08/46/00/1194084600.db2.gz IZPAQJVZCVOPMF-FXAWDEMLSA-N 2 1 374.485 0.119 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228901 1194108467 /nfs/dbraw/zinc/10/84/67/1194108467.db2.gz CDKDGWRPSWFWQX-ROUUACIJSA-N 2 1 358.486 0.747 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815426 1194110658 /nfs/dbraw/zinc/11/06/58/1194110658.db2.gz PFUNPHWMONTLOQ-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815426 1194110662 /nfs/dbraw/zinc/11/06/62/1194110662.db2.gz PFUNPHWMONTLOQ-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815426 1194110665 /nfs/dbraw/zinc/11/06/65/1194110665.db2.gz PFUNPHWMONTLOQ-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2C)C1 ZINC001088815426 1194110666 /nfs/dbraw/zinc/11/06/66/1194110666.db2.gz PFUNPHWMONTLOQ-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000899229603 1194122827 /nfs/dbraw/zinc/12/28/27/1194122827.db2.gz CQLPDQVIBPBEGY-HKUYNNGSSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000899229603 1194122834 /nfs/dbraw/zinc/12/28/34/1194122834.db2.gz CQLPDQVIBPBEGY-HKUYNNGSSA-N 2 1 364.534 0.916 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161103 1194335672 /nfs/dbraw/zinc/33/56/72/1194335672.db2.gz GMNUOYRAOIDTQC-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161103 1194335675 /nfs/dbraw/zinc/33/56/75/1194335675.db2.gz GMNUOYRAOIDTQC-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161103 1194335678 /nfs/dbraw/zinc/33/56/78/1194335678.db2.gz GMNUOYRAOIDTQC-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161103 1194335680 /nfs/dbraw/zinc/33/56/80/1194335680.db2.gz GMNUOYRAOIDTQC-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206258 1194353199 /nfs/dbraw/zinc/35/31/99/1194353199.db2.gz GTHTVCWEEMDGIJ-DOTOQJQBSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206258 1194353201 /nfs/dbraw/zinc/35/32/01/1194353201.db2.gz GTHTVCWEEMDGIJ-DOTOQJQBSA-N 2 1 359.474 0.860 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001076240231 1194363291 /nfs/dbraw/zinc/36/32/91/1194363291.db2.gz QEECSECNLPJTNR-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001076240231 1194363294 /nfs/dbraw/zinc/36/32/94/1194363294.db2.gz QEECSECNLPJTNR-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001076240231 1194363298 /nfs/dbraw/zinc/36/32/98/1194363298.db2.gz QEECSECNLPJTNR-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001076240231 1194363302 /nfs/dbraw/zinc/36/33/02/1194363302.db2.gz QEECSECNLPJTNR-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243973 1194370932 /nfs/dbraw/zinc/37/09/32/1194370932.db2.gz JZDBUOFSPRSJNT-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243973 1194370935 /nfs/dbraw/zinc/37/09/35/1194370935.db2.gz JZDBUOFSPRSJNT-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076320792 1194395523 /nfs/dbraw/zinc/39/55/23/1194395523.db2.gz JPJIEKVTRNUYRW-HRCADAONSA-N 2 1 359.474 0.818 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076320792 1194395528 /nfs/dbraw/zinc/39/55/28/1194395528.db2.gz JPJIEKVTRNUYRW-HRCADAONSA-N 2 1 359.474 0.818 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076418491 1194465893 /nfs/dbraw/zinc/46/58/93/1194465893.db2.gz ADAPYYWURIFHIB-OKZBNKHCSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076490481 1194520872 /nfs/dbraw/zinc/52/08/72/1194520872.db2.gz MKCLCKFBTFOYSV-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076490481 1194520878 /nfs/dbraw/zinc/52/08/78/1194520878.db2.gz MKCLCKFBTFOYSV-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076575026 1194571719 /nfs/dbraw/zinc/57/17/19/1194571719.db2.gz WPOGIUSEHMTNDM-DLBZAZTESA-N 2 1 355.442 0.623 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076575026 1194571726 /nfs/dbraw/zinc/57/17/26/1194571726.db2.gz WPOGIUSEHMTNDM-DLBZAZTESA-N 2 1 355.442 0.623 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569536 1194575816 /nfs/dbraw/zinc/57/58/16/1194575816.db2.gz ZYNSUUIOPICREC-ZMSDIMECSA-N 2 1 359.474 0.778 20 0 FCADMP COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569536 1194575821 /nfs/dbraw/zinc/57/58/21/1194575821.db2.gz ZYNSUUIOPICREC-ZMSDIMECSA-N 2 1 359.474 0.778 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569536 1194575827 /nfs/dbraw/zinc/57/58/27/1194575827.db2.gz ZYNSUUIOPICREC-ZMSDIMECSA-N 2 1 359.474 0.778 20 0 FCADMP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001076569536 1194575831 /nfs/dbraw/zinc/57/58/31/1194575831.db2.gz ZYNSUUIOPICREC-ZMSDIMECSA-N 2 1 359.474 0.778 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218820033 1224232486 /nfs/dbraw/zinc/23/24/86/1224232486.db2.gz UYPAUDRLDDJYDL-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001076748424 1194979706 /nfs/dbraw/zinc/97/97/06/1194979706.db2.gz XRMSHXAOTKLPCH-GZBFAFLISA-N 2 1 365.478 0.701 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001076748424 1194979710 /nfs/dbraw/zinc/97/97/10/1194979710.db2.gz XRMSHXAOTKLPCH-GZBFAFLISA-N 2 1 365.478 0.701 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@@H]21 ZINC001218919815 1224260063 /nfs/dbraw/zinc/26/00/63/1224260063.db2.gz ZXOSZEXPAVFITE-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@@H]21 ZINC001218919815 1224260068 /nfs/dbraw/zinc/26/00/68/1224260068.db2.gz ZXOSZEXPAVFITE-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@@H]21 ZINC001218919815 1224260073 /nfs/dbraw/zinc/26/00/73/1224260073.db2.gz ZXOSZEXPAVFITE-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]21 ZINC001218919815 1224260077 /nfs/dbraw/zinc/26/00/77/1224260077.db2.gz ZXOSZEXPAVFITE-JKSUJKDBSA-N 2 1 365.478 0.564 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)CC1 ZINC001077015065 1195144575 /nfs/dbraw/zinc/14/45/75/1195144575.db2.gz AFHIAXRKAXSXLJ-MKXGPGLRSA-N 2 1 365.518 0.695 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC001077014356 1195149201 /nfs/dbraw/zinc/14/92/01/1195149201.db2.gz RYQIKKKRCPOZOO-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC001077014356 1195149208 /nfs/dbraw/zinc/14/92/08/1195149208.db2.gz RYQIKKKRCPOZOO-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP O=C(N[C@@H]1CN(CCn2cccn2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001077131135 1195247206 /nfs/dbraw/zinc/24/72/06/1195247206.db2.gz NZTDQGQLFSNDRP-FGTMMUONSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001077131135 1195247213 /nfs/dbraw/zinc/24/72/13/1195247213.db2.gz NZTDQGQLFSNDRP-FGTMMUONSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001077131135 1195247220 /nfs/dbraw/zinc/24/72/20/1195247220.db2.gz NZTDQGQLFSNDRP-FGTMMUONSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001077131135 1195247225 /nfs/dbraw/zinc/24/72/25/1195247225.db2.gz NZTDQGQLFSNDRP-FGTMMUONSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001077131135 1195247229 /nfs/dbraw/zinc/24/72/29/1195247229.db2.gz NZTDQGQLFSNDRP-FGTMMUONSA-N 2 1 361.490 0.451 20 0 FCADMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276800471 1224275073 /nfs/dbraw/zinc/27/50/73/1224275073.db2.gz SGFPWNPOGQWKBJ-VQIMIIECSA-N 2 1 364.490 0.984 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077232947 1195341749 /nfs/dbraw/zinc/34/17/49/1195341749.db2.gz GIAUPFUSACHZDA-JCURWCKSSA-N 2 1 371.441 0.254 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300067 1195400048 /nfs/dbraw/zinc/40/00/48/1195400048.db2.gz WTIXIUDMJJPZGJ-QZTJIDSGSA-N 2 1 359.470 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300067 1195400061 /nfs/dbraw/zinc/40/00/61/1195400061.db2.gz WTIXIUDMJJPZGJ-QZTJIDSGSA-N 2 1 359.470 0.469 20 0 FCADMP CCCNC(=O)[C@@H](C)N1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004286 1224285471 /nfs/dbraw/zinc/28/54/71/1224285471.db2.gz FEYSCTBEVXJFOF-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418008 1195516964 /nfs/dbraw/zinc/51/69/64/1195516964.db2.gz GHNFMFDJAGGLPW-ARCLZCIDSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418008 1195516969 /nfs/dbraw/zinc/51/69/69/1195516969.db2.gz GHNFMFDJAGGLPW-ARCLZCIDSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418008 1195516974 /nfs/dbraw/zinc/51/69/74/1195516974.db2.gz GHNFMFDJAGGLPW-ARCLZCIDSA-N 2 1 371.481 0.254 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580166 1195528790 /nfs/dbraw/zinc/52/87/90/1195528790.db2.gz UINPORQTDCSDCN-NXHRZFHOSA-N 2 1 362.474 0.424 20 0 FCADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905046417 1195571662 /nfs/dbraw/zinc/57/16/62/1195571662.db2.gz ADFOGQMGVZSYQZ-VQTJNVASSA-N 2 1 363.502 0.426 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)c2)CCO1 ZINC000905062317 1195574186 /nfs/dbraw/zinc/57/41/86/1195574186.db2.gz WLUROLCOJCYQDD-LSTHTHJFSA-N 2 1 364.486 0.899 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)c2)CCO1 ZINC000905062317 1195574191 /nfs/dbraw/zinc/57/41/91/1195574191.db2.gz WLUROLCOJCYQDD-LSTHTHJFSA-N 2 1 364.486 0.899 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)c2)CCO1 ZINC000905062318 1195574817 /nfs/dbraw/zinc/57/48/17/1195574817.db2.gz WLUROLCOJCYQDD-NSISKUIASA-N 2 1 364.486 0.899 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)c2)CCO1 ZINC000905062318 1195574819 /nfs/dbraw/zinc/57/48/19/1195574819.db2.gz WLUROLCOJCYQDD-NSISKUIASA-N 2 1 364.486 0.899 20 0 FCADMP Cc1cn2c(nc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)cc2=O)s1 ZINC000905840928 1195603017 /nfs/dbraw/zinc/60/30/17/1195603017.db2.gz SQXAJEQECVQHLJ-UHFFFAOYSA-N 2 1 373.486 0.670 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccn1CCN1CCOCC1 ZINC000906459103 1195631677 /nfs/dbraw/zinc/63/16/77/1195631677.db2.gz JNPIPIRVQSEDCT-IAGOWNOFSA-N 2 1 362.474 0.413 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001219033430 1224305804 /nfs/dbraw/zinc/30/58/04/1224305804.db2.gz LBSWRKXLLAHNOX-OKZBNKHCSA-N 2 1 367.490 0.189 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033393 1224306369 /nfs/dbraw/zinc/30/63/69/1224306369.db2.gz INBYQXXVVKIRSZ-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033393 1224306383 /nfs/dbraw/zinc/30/63/83/1224306383.db2.gz INBYQXXVVKIRSZ-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000910827274 1195847052 /nfs/dbraw/zinc/84/70/52/1195847052.db2.gz BDGVCQANNUJMDC-OAHLLOKOSA-N 2 1 359.474 0.671 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000910830776 1195850834 /nfs/dbraw/zinc/85/08/34/1195850834.db2.gz UJNICFJZKDRWNQ-DLBZAZTESA-N 2 1 373.501 0.919 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000910977626 1195872707 /nfs/dbraw/zinc/87/27/07/1195872707.db2.gz VPFKBXNLKORQEH-QAPCUYQASA-N 2 1 374.485 0.067 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@@H](C)C1 ZINC000911032616 1195881515 /nfs/dbraw/zinc/88/15/15/1195881515.db2.gz FSRFTUSZWHRVDV-ULQDDVLXSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CC3)c2)CCO1 ZINC000911061815 1195884299 /nfs/dbraw/zinc/88/42/99/1195884299.db2.gz SNXXXNDNRQKOTN-CQSZACIVSA-N 2 1 360.458 0.131 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CC3)c2)CCO1 ZINC000911061815 1195884300 /nfs/dbraw/zinc/88/43/00/1195884300.db2.gz SNXXXNDNRQKOTN-CQSZACIVSA-N 2 1 360.458 0.131 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000911092753 1195887888 /nfs/dbraw/zinc/88/78/88/1195887888.db2.gz VCMHPHKJYPZXFQ-MOPGFXCFSA-N 2 1 372.513 0.865 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000911170842 1195909598 /nfs/dbraw/zinc/90/95/98/1195909598.db2.gz XSRFVFZFQNTXQS-KRWDZBQOSA-N 2 1 373.501 0.089 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000911170842 1195909600 /nfs/dbraw/zinc/90/96/00/1195909600.db2.gz XSRFVFZFQNTXQS-KRWDZBQOSA-N 2 1 373.501 0.089 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000911170842 1195909602 /nfs/dbraw/zinc/90/96/02/1195909602.db2.gz XSRFVFZFQNTXQS-KRWDZBQOSA-N 2 1 373.501 0.089 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000911324395 1195933525 /nfs/dbraw/zinc/93/35/25/1195933525.db2.gz BVBDPNRZNBMTPA-XWTMOSNGSA-N 2 1 356.470 0.860 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318379 1195937899 /nfs/dbraw/zinc/93/78/99/1195937899.db2.gz GHNNNSWCRVCWME-IRXDYDNUSA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318379 1195937900 /nfs/dbraw/zinc/93/79/00/1195937900.db2.gz GHNNNSWCRVCWME-IRXDYDNUSA-N 2 1 368.522 0.658 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000911318379 1195937901 /nfs/dbraw/zinc/93/79/01/1195937901.db2.gz GHNNNSWCRVCWME-IRXDYDNUSA-N 2 1 368.522 0.658 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC000911359246 1195941859 /nfs/dbraw/zinc/94/18/59/1195941859.db2.gz XJWTWCAYJIBWRB-OTWHNJEPSA-N 2 1 370.497 0.753 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCOC)C[C@@H]32)C1 ZINC001219043770 1224313356 /nfs/dbraw/zinc/31/33/56/1224313356.db2.gz HNJIGUDXEDEBGP-KSZLIROESA-N 2 1 369.506 0.435 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCOC)C[C@@H]32)C1 ZINC001219043770 1224313365 /nfs/dbraw/zinc/31/33/65/1224313365.db2.gz HNJIGUDXEDEBGP-KSZLIROESA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCCOC)C[C@@H]32)C1 ZINC001219043770 1224313369 /nfs/dbraw/zinc/31/33/69/1224313369.db2.gz HNJIGUDXEDEBGP-KSZLIROESA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCCOC)C[C@@H]32)C1 ZINC001219043770 1224313380 /nfs/dbraw/zinc/31/33/80/1224313380.db2.gz HNJIGUDXEDEBGP-KSZLIROESA-N 2 1 369.506 0.435 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)cn1 ZINC001219054665 1224324920 /nfs/dbraw/zinc/32/49/20/1224324920.db2.gz JDCVPKVSOPLDFP-ZWKOTPCHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)cn1 ZINC001219054665 1224324928 /nfs/dbraw/zinc/32/49/28/1224324928.db2.gz JDCVPKVSOPLDFP-ZWKOTPCHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)cn1 ZINC001219054665 1224324937 /nfs/dbraw/zinc/32/49/37/1224324937.db2.gz JDCVPKVSOPLDFP-ZWKOTPCHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)cn1 ZINC001219054665 1224324945 /nfs/dbraw/zinc/32/49/45/1224324945.db2.gz JDCVPKVSOPLDFP-ZWKOTPCHSA-N 2 1 363.506 0.697 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219056122 1224326747 /nfs/dbraw/zinc/32/67/47/1224326747.db2.gz MRFGSRZSWUENMK-FGTMMUONSA-N 2 1 371.522 0.272 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219056122 1224326759 /nfs/dbraw/zinc/32/67/59/1224326759.db2.gz MRFGSRZSWUENMK-FGTMMUONSA-N 2 1 371.522 0.272 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219056122 1224326768 /nfs/dbraw/zinc/32/67/68/1224326768.db2.gz MRFGSRZSWUENMK-FGTMMUONSA-N 2 1 371.522 0.272 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219056122 1224326778 /nfs/dbraw/zinc/32/67/78/1224326778.db2.gz MRFGSRZSWUENMK-FGTMMUONSA-N 2 1 371.522 0.272 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1=O ZINC000911840505 1196314277 /nfs/dbraw/zinc/31/42/77/1196314277.db2.gz XTPJZUDSORMSGJ-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083647609 1196316260 /nfs/dbraw/zinc/31/62/60/1196316260.db2.gz KDGBKSJYSYUJOB-LESCRADOSA-N 2 1 362.474 0.492 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083647609 1196316264 /nfs/dbraw/zinc/31/62/64/1196316264.db2.gz KDGBKSJYSYUJOB-LESCRADOSA-N 2 1 362.474 0.492 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360717 1196321751 /nfs/dbraw/zinc/32/17/51/1196321751.db2.gz NEVGCOFUYWCOFJ-VYCZESIESA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccnn2C)CC3)O1 ZINC000991360717 1196321754 /nfs/dbraw/zinc/32/17/54/1196321754.db2.gz NEVGCOFUYWCOFJ-VYCZESIESA-N 2 1 361.490 0.752 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083668885 1196392464 /nfs/dbraw/zinc/39/24/64/1196392464.db2.gz KUQNFDIRYCIXFL-IPELMVKDSA-N 2 1 361.486 0.602 20 0 FCADMP CC1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000913182512 1196401277 /nfs/dbraw/zinc/40/12/77/1196401277.db2.gz IUNCJGHVNCOGHP-FQEVSTJZSA-N 2 1 361.486 0.756 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001060256586 1196468497 /nfs/dbraw/zinc/46/84/97/1196468497.db2.gz JWMQCDCRMQFIBH-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001060256586 1196468504 /nfs/dbraw/zinc/46/85/04/1196468504.db2.gz JWMQCDCRMQFIBH-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCO[C@@H](C)C2)CC1=O ZINC000591644086 1196522760 /nfs/dbraw/zinc/52/27/60/1196522760.db2.gz PRIGNXXPNVZKBR-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592962094 1196596991 /nfs/dbraw/zinc/59/69/91/1196596991.db2.gz WBNCNDCDZTVPES-INIZCTEOSA-N 2 1 362.522 0.867 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000992209221 1197019513 /nfs/dbraw/zinc/01/95/13/1197019513.db2.gz AHBJPPJDHMFZQI-RKHAHWSXSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000992209221 1197019518 /nfs/dbraw/zinc/01/95/18/1197019518.db2.gz AHBJPPJDHMFZQI-RKHAHWSXSA-N 2 1 366.506 0.058 20 0 FCADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2c[nH+]cn21 ZINC001272446710 1197082655 /nfs/dbraw/zinc/08/26/55/1197082655.db2.gz PTEMODXHMKVWML-BTFYYFJDSA-N 2 1 359.474 0.960 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696162 1197102542 /nfs/dbraw/zinc/10/25/42/1197102542.db2.gz LVMHOXJQPPANQZ-KURKYZTESA-N 2 1 361.486 0.756 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696162 1197102550 /nfs/dbraw/zinc/10/25/50/1197102550.db2.gz LVMHOXJQPPANQZ-KURKYZTESA-N 2 1 361.486 0.756 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000992687358 1197302310 /nfs/dbraw/zinc/30/23/10/1197302310.db2.gz JNVYJBJMLHVIMJ-FRQCXROJSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106148050 1197308056 /nfs/dbraw/zinc/30/80/56/1197308056.db2.gz DVYOWHXKFLOLOK-JOCBIADPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)CC[N@H+]1C ZINC001106148616 1197309139 /nfs/dbraw/zinc/30/91/39/1197309139.db2.gz VYCZIYAVPJYUJH-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000992932588 1197610753 /nfs/dbraw/zinc/61/07/53/1197610753.db2.gz BWJXHFZDHBRXLB-JTDSTZFVSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000992932588 1197610756 /nfs/dbraw/zinc/61/07/56/1197610756.db2.gz BWJXHFZDHBRXLB-JTDSTZFVSA-N 2 1 359.474 0.450 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085245918 1197736913 /nfs/dbraw/zinc/73/69/13/1197736913.db2.gz UFYWXEVQTBXRSF-RBSFLKMASA-N 2 1 365.478 0.040 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249713 1197785042 /nfs/dbraw/zinc/78/50/42/1197785042.db2.gz OSACGJZEQWFSCY-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001085284936 1197794555 /nfs/dbraw/zinc/79/45/55/1197794555.db2.gz TZIWDTFONNXEAA-INMHGKMJSA-N 2 1 361.494 0.602 20 0 FCADMP CCOC(=O)CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000914569818 1197807815 /nfs/dbraw/zinc/80/78/15/1197807815.db2.gz SVCREMOGHLKWEN-UHFFFAOYSA-N 2 1 366.462 0.625 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085308669 1197810420 /nfs/dbraw/zinc/81/04/20/1197810420.db2.gz CGTCUUXXUNNXSF-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085308669 1197810426 /nfs/dbraw/zinc/81/04/26/1197810426.db2.gz CGTCUUXXUNNXSF-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001085333568 1197826637 /nfs/dbraw/zinc/82/66/37/1197826637.db2.gz XFLOYIFKLQHZCV-KFWWJZLASA-N 2 1 364.490 0.541 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085333139 1197827218 /nfs/dbraw/zinc/82/72/18/1197827218.db2.gz BJHQYQWEYSQWJW-HZPDHXFCSA-N 2 1 365.522 0.761 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C)[NH+]1CCCCCC1 ZINC001085352653 1197837325 /nfs/dbraw/zinc/83/73/25/1197837325.db2.gz QXOCOAGNBHBPDR-ARFHVFGLSA-N 2 1 363.510 0.992 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323034 1197864004 /nfs/dbraw/zinc/86/40/04/1197864004.db2.gz VMIBCVQXROOJLB-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321746 1197864945 /nfs/dbraw/zinc/86/49/45/1197864945.db2.gz DOENDXIAUXFXEC-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106322135 1197865597 /nfs/dbraw/zinc/86/55/97/1197865597.db2.gz KSZROAFUMAYMRX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)C1 ZINC001085429349 1197895961 /nfs/dbraw/zinc/89/59/61/1197895961.db2.gz ORKJMEMVFCESGF-KZNAEPCWSA-N 2 1 363.506 0.700 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)C1 ZINC001085429349 1197895962 /nfs/dbraw/zinc/89/59/62/1197895962.db2.gz ORKJMEMVFCESGF-KZNAEPCWSA-N 2 1 363.506 0.700 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993154646 1197897262 /nfs/dbraw/zinc/89/72/62/1197897262.db2.gz IIGMTQSAZJHIMM-APWZRJJASA-N 2 1 371.485 0.594 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000762113928 1197912707 /nfs/dbraw/zinc/91/27/07/1197912707.db2.gz RVOCUVZSZAXYKA-RBUKOAKNSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000762113928 1197912715 /nfs/dbraw/zinc/91/27/15/1197912715.db2.gz RVOCUVZSZAXYKA-RBUKOAKNSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321060 1197981321 /nfs/dbraw/zinc/98/13/21/1197981321.db2.gz FRCRDWDFXXCRMT-XHSDSOJGSA-N 2 1 368.457 0.090 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321060 1197981326 /nfs/dbraw/zinc/98/13/26/1197981326.db2.gz FRCRDWDFXXCRMT-XHSDSOJGSA-N 2 1 368.457 0.090 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000739023274 1198007032 /nfs/dbraw/zinc/00/70/32/1198007032.db2.gz LLRLATHNSZMVOA-FUHWJXTLSA-N 2 1 368.522 0.897 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001086089848 1198148696 /nfs/dbraw/zinc/14/86/96/1198148696.db2.gz UJLCFCPLHUGMHY-VVLHAWIVSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C[C@@]2(F)C1=O ZINC001273404024 1198216960 /nfs/dbraw/zinc/21/69/60/1198216960.db2.gz RCWPOADOAMINHA-MORSLUCNSA-N 2 1 372.460 0.522 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C[C@@]2(F)C1=O ZINC001273404024 1198216974 /nfs/dbraw/zinc/21/69/74/1198216974.db2.gz RCWPOADOAMINHA-MORSLUCNSA-N 2 1 372.460 0.522 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129327185 1198231153 /nfs/dbraw/zinc/23/11/53/1198231153.db2.gz PSMCXFSNJYOETK-IKGGRYGDSA-N 2 1 366.510 0.368 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)C(C)C ZINC001129327185 1198231156 /nfs/dbraw/zinc/23/11/56/1198231156.db2.gz PSMCXFSNJYOETK-IKGGRYGDSA-N 2 1 366.510 0.368 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001086370919 1198331984 /nfs/dbraw/zinc/33/19/84/1198331984.db2.gz GGSCLUPQJGSDQK-DARAHFNDSA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001086370919 1198331991 /nfs/dbraw/zinc/33/19/91/1198331991.db2.gz GGSCLUPQJGSDQK-DARAHFNDSA-N 2 1 361.494 0.723 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001086400804 1198356568 /nfs/dbraw/zinc/35/65/68/1198356568.db2.gz YENOFUSPKQGWSX-ATNYBXOESA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001086400804 1198356580 /nfs/dbraw/zinc/35/65/80/1198356580.db2.gz YENOFUSPKQGWSX-ATNYBXOESA-N 2 1 362.474 0.794 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133967 1199048502 /nfs/dbraw/zinc/04/85/02/1199048502.db2.gz OPSVPQPWISAEIV-FRBIGEEJSA-N 2 1 357.458 0.531 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133967 1199048509 /nfs/dbraw/zinc/04/85/09/1199048509.db2.gz OPSVPQPWISAEIV-FRBIGEEJSA-N 2 1 357.458 0.531 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133967 1199048515 /nfs/dbraw/zinc/04/85/15/1199048515.db2.gz OPSVPQPWISAEIV-FRBIGEEJSA-N 2 1 357.458 0.531 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]31)C2 ZINC001169133967 1199048523 /nfs/dbraw/zinc/04/85/23/1199048523.db2.gz OPSVPQPWISAEIV-FRBIGEEJSA-N 2 1 357.458 0.531 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)CC1 ZINC001169254975 1199059424 /nfs/dbraw/zinc/05/94/24/1199059424.db2.gz LHEWEPQBBQUXBK-BRWVUGGUSA-N 2 1 361.490 0.866 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)CC1 ZINC001169254975 1199059428 /nfs/dbraw/zinc/05/94/28/1199059428.db2.gz LHEWEPQBBQUXBK-BRWVUGGUSA-N 2 1 361.490 0.866 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC001169402223 1199061902 /nfs/dbraw/zinc/06/19/02/1199061902.db2.gz BBPQZFANKIAAJM-IRXDYDNUSA-N 2 1 367.490 0.583 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652326 1224545613 /nfs/dbraw/zinc/54/56/13/1224545613.db2.gz SBPFOAYGCDCHNB-SJORKVTESA-N 2 1 367.494 0.036 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652326 1224545627 /nfs/dbraw/zinc/54/56/27/1224545627.db2.gz SBPFOAYGCDCHNB-SJORKVTESA-N 2 1 367.494 0.036 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219724327 1224576545 /nfs/dbraw/zinc/57/65/45/1224576545.db2.gz HBSAKOJMXRYZRL-BBWFWOEESA-N 2 1 369.485 0.341 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219724327 1224576552 /nfs/dbraw/zinc/57/65/52/1224576552.db2.gz HBSAKOJMXRYZRL-BBWFWOEESA-N 2 1 369.485 0.341 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001219723394 1224576617 /nfs/dbraw/zinc/57/66/17/1224576617.db2.gz LREVWLSCOIEQAZ-RTBURBONSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001219723394 1224576625 /nfs/dbraw/zinc/57/66/25/1224576625.db2.gz LREVWLSCOIEQAZ-RTBURBONSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001219723394 1224576633 /nfs/dbraw/zinc/57/66/33/1224576633.db2.gz LREVWLSCOIEQAZ-RTBURBONSA-N 2 1 372.513 0.593 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219732162 1224582889 /nfs/dbraw/zinc/58/28/89/1224582889.db2.gz PFSPAWPKZCFDFN-KSZLIROESA-N 2 1 367.465 0.520 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219732162 1224582896 /nfs/dbraw/zinc/58/28/96/1224582896.db2.gz PFSPAWPKZCFDFN-KSZLIROESA-N 2 1 367.465 0.520 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385425 1200098444 /nfs/dbraw/zinc/09/84/44/1200098444.db2.gz MNCLSLRHUBJBLC-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385425 1200098448 /nfs/dbraw/zinc/09/84/48/1200098448.db2.gz MNCLSLRHUBJBLC-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385425 1200098454 /nfs/dbraw/zinc/09/84/54/1200098454.db2.gz MNCLSLRHUBJBLC-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386163 1200110451 /nfs/dbraw/zinc/11/04/51/1200110451.db2.gz ZEEAAYAMDXSATN-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406304 1200251928 /nfs/dbraw/zinc/25/19/28/1200251928.db2.gz VZVCGQNLBDULLI-VSZNYVQBSA-N 2 1 366.506 0.201 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449165 1200287568 /nfs/dbraw/zinc/28/75/68/1200287568.db2.gz IMRYREOZUIMXPT-OWSLCNJRSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449165 1200287579 /nfs/dbraw/zinc/28/75/79/1200287579.db2.gz IMRYREOZUIMXPT-OWSLCNJRSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449165 1200287584 /nfs/dbraw/zinc/28/75/84/1200287584.db2.gz IMRYREOZUIMXPT-OWSLCNJRSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449165 1200287593 /nfs/dbraw/zinc/28/75/93/1200287593.db2.gz IMRYREOZUIMXPT-OWSLCNJRSA-N 2 1 366.506 0.345 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219765904 1224602534 /nfs/dbraw/zinc/60/25/34/1224602534.db2.gz HAUTUJJDYAQGES-PLOVASNDSA-N 2 1 369.513 0.122 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219765904 1224602535 /nfs/dbraw/zinc/60/25/35/1224602535.db2.gz HAUTUJJDYAQGES-PLOVASNDSA-N 2 1 369.513 0.122 20 0 FCADMP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766554 1224602715 /nfs/dbraw/zinc/60/27/15/1224602715.db2.gz WBTBXACGYGVQTQ-HFTRVMKXSA-N 2 1 353.470 0.515 20 0 FCADMP [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766554 1224602716 /nfs/dbraw/zinc/60/27/16/1224602716.db2.gz WBTBXACGYGVQTQ-HFTRVMKXSA-N 2 1 353.470 0.515 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650250 1200441917 /nfs/dbraw/zinc/44/19/17/1200441917.db2.gz ZXRDOZHQKNNNKC-IKGGRYGDSA-N 2 1 366.506 0.202 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795864 1224615508 /nfs/dbraw/zinc/61/55/08/1224615508.db2.gz HTFSSNJOMYLGJQ-PMACEKPBSA-N 2 1 374.529 0.640 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719053 1200485467 /nfs/dbraw/zinc/48/54/67/1200485467.db2.gz SRIQXQKQIMMCSE-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719053 1200485471 /nfs/dbraw/zinc/48/54/71/1200485471.db2.gz SRIQXQKQIMMCSE-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109719053 1200485473 /nfs/dbraw/zinc/48/54/73/1200485473.db2.gz SRIQXQKQIMMCSE-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719053 1200485480 /nfs/dbraw/zinc/48/54/80/1200485480.db2.gz SRIQXQKQIMMCSE-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796254 1224617098 /nfs/dbraw/zinc/61/70/98/1224617098.db2.gz SSFPUZZOXWSAQX-SFHVURJKSA-N 2 1 370.501 0.765 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800182 1224620363 /nfs/dbraw/zinc/62/03/63/1224620363.db2.gz HMXNWFBYUOCRGF-MOPGFXCFSA-N 2 1 372.513 0.735 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800182 1224620367 /nfs/dbraw/zinc/62/03/67/1224620367.db2.gz HMXNWFBYUOCRGF-MOPGFXCFSA-N 2 1 372.513 0.735 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109927135 1200615131 /nfs/dbraw/zinc/61/51/31/1200615131.db2.gz WOBUJSCKRFRKKG-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109927135 1200615139 /nfs/dbraw/zinc/61/51/39/1200615139.db2.gz WOBUJSCKRFRKKG-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109927135 1200615144 /nfs/dbraw/zinc/61/51/44/1200615144.db2.gz WOBUJSCKRFRKKG-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109927135 1200615147 /nfs/dbraw/zinc/61/51/47/1200615147.db2.gz WOBUJSCKRFRKKG-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960988 1200637599 /nfs/dbraw/zinc/63/75/99/1200637599.db2.gz IKAYHCQLYQUFNB-YRXWBPOGSA-N 2 1 365.518 0.837 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109978732 1200662528 /nfs/dbraw/zinc/66/25/28/1200662528.db2.gz HDRIXHGVTBXPGX-YVSFHVDLSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001219807535 1224626965 /nfs/dbraw/zinc/62/69/65/1224626965.db2.gz HZAXNRRYCUPZEM-LBPRGKRZSA-N 2 1 374.470 0.548 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112567157 1200801739 /nfs/dbraw/zinc/80/17/39/1200801739.db2.gz ABQCJUMGEVOILM-KSSFIOAISA-N 2 1 367.494 0.002 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112579222 1200818985 /nfs/dbraw/zinc/81/89/85/1200818985.db2.gz CUKVUCAFMBTNKP-WMZOPIPTSA-N 2 1 357.462 0.702 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)CC[N@@H+]1C ZINC001112866225 1200954115 /nfs/dbraw/zinc/95/41/15/1200954115.db2.gz UPNHAWXVHGELEC-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)CC[N@H+]1C ZINC001112866225 1200954133 /nfs/dbraw/zinc/95/41/33/1200954133.db2.gz UPNHAWXVHGELEC-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831367 1224642112 /nfs/dbraw/zinc/64/21/12/1224642112.db2.gz IIIXZOLXEBIOCU-HCXYKTFWSA-N 2 1 358.486 0.344 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831367 1224642116 /nfs/dbraw/zinc/64/21/16/1224642116.db2.gz IIIXZOLXEBIOCU-HCXYKTFWSA-N 2 1 358.486 0.344 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588350 1201093157 /nfs/dbraw/zinc/09/31/57/1201093157.db2.gz QQMBTSZUHQUXGS-IPMKNSEASA-N 2 1 370.497 0.658 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588350 1201093163 /nfs/dbraw/zinc/09/31/63/1201093163.db2.gz QQMBTSZUHQUXGS-IPMKNSEASA-N 2 1 370.497 0.658 20 0 FCADMP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219847470 1224651125 /nfs/dbraw/zinc/65/11/25/1224651125.db2.gz IIJHMTUUQDHLAR-YDZRNGNQSA-N 3 1 370.497 0.344 20 0 FCADMP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219847470 1224651130 /nfs/dbraw/zinc/65/11/30/1224651130.db2.gz IIJHMTUUQDHLAR-YDZRNGNQSA-N 3 1 370.497 0.344 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793715021 1201254668 /nfs/dbraw/zinc/25/46/68/1201254668.db2.gz VGBVSZDKWIZEHH-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793715021 1201254671 /nfs/dbraw/zinc/25/46/71/1201254671.db2.gz VGBVSZDKWIZEHH-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000793721449 1201255584 /nfs/dbraw/zinc/25/55/84/1201255584.db2.gz JPRWVWQWKHDFRC-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000793703314 1201259190 /nfs/dbraw/zinc/25/91/90/1201259190.db2.gz UMTGXFCPONKLFV-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703548 1201259598 /nfs/dbraw/zinc/25/95/98/1201259598.db2.gz XUKDNFVZQQRVCN-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CC1 ZINC001219866924 1224661433 /nfs/dbraw/zinc/66/14/33/1224661433.db2.gz FDTNNRFSCGCPRX-FGTMMUONSA-N 2 1 365.518 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001114298535 1201292180 /nfs/dbraw/zinc/29/21/80/1201292180.db2.gz MIBLXAZUFONCSG-QHXZYPQMSA-N 2 1 370.497 0.689 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001114298535 1201292189 /nfs/dbraw/zinc/29/21/89/1201292189.db2.gz MIBLXAZUFONCSG-QHXZYPQMSA-N 2 1 370.497 0.689 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001114298535 1201292194 /nfs/dbraw/zinc/29/21/94/1201292194.db2.gz MIBLXAZUFONCSG-QHXZYPQMSA-N 2 1 370.497 0.689 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001114298535 1201292201 /nfs/dbraw/zinc/29/22/01/1201292201.db2.gz MIBLXAZUFONCSG-QHXZYPQMSA-N 2 1 370.497 0.689 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001114304319 1201294299 /nfs/dbraw/zinc/29/42/99/1201294299.db2.gz OSMIJKPJPQQIPT-DOEOUOAPSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001114304319 1201294306 /nfs/dbraw/zinc/29/43/06/1201294306.db2.gz OSMIJKPJPQQIPT-DOEOUOAPSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[NH+]1C ZINC001114304319 1201294310 /nfs/dbraw/zinc/29/43/10/1201294310.db2.gz OSMIJKPJPQQIPT-DOEOUOAPSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[NH+]1C ZINC001114304319 1201294313 /nfs/dbraw/zinc/29/43/13/1201294313.db2.gz OSMIJKPJPQQIPT-DOEOUOAPSA-N 2 1 362.518 0.632 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407448 1201298864 /nfs/dbraw/zinc/29/88/64/1201298864.db2.gz NLQIBYQZFALZCY-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407448 1201298879 /nfs/dbraw/zinc/29/88/79/1201298879.db2.gz NLQIBYQZFALZCY-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407448 1201298884 /nfs/dbraw/zinc/29/88/84/1201298884.db2.gz NLQIBYQZFALZCY-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407683 1201299096 /nfs/dbraw/zinc/29/90/96/1201299096.db2.gz SXDQOFXHPOIPAP-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407683 1201299103 /nfs/dbraw/zinc/29/91/03/1201299103.db2.gz SXDQOFXHPOIPAP-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407683 1201299108 /nfs/dbraw/zinc/29/91/08/1201299108.db2.gz SXDQOFXHPOIPAP-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433943 1201315400 /nfs/dbraw/zinc/31/54/00/1201315400.db2.gz ZQQIXMTYBIHDRE-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433943 1201315407 /nfs/dbraw/zinc/31/54/07/1201315407.db2.gz ZQQIXMTYBIHDRE-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433943 1201315414 /nfs/dbraw/zinc/31/54/14/1201315414.db2.gz ZQQIXMTYBIHDRE-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129438118 1201316716 /nfs/dbraw/zinc/31/67/16/1201316716.db2.gz OVACTVQEJZLXEK-SJORKVTESA-N 2 1 364.494 0.268 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461198 1201327788 /nfs/dbraw/zinc/32/77/88/1201327788.db2.gz QPKFTOOUAZIHQF-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461198 1201327790 /nfs/dbraw/zinc/32/77/90/1201327790.db2.gz QPKFTOOUAZIHQF-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461198 1201327796 /nfs/dbraw/zinc/32/77/96/1201327796.db2.gz QPKFTOOUAZIHQF-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001129884581 1201413213 /nfs/dbraw/zinc/41/32/13/1201413213.db2.gz OSJODPQQHCNNHY-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899934 1201433161 /nfs/dbraw/zinc/43/31/61/1201433161.db2.gz SJKOYYGELDEPND-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1)OC ZINC001129932099 1201434780 /nfs/dbraw/zinc/43/47/80/1201434780.db2.gz LTSOITTVZCJXNT-OAGGEKHMSA-N 2 1 361.450 0.250 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129977797 1201460352 /nfs/dbraw/zinc/46/03/52/1201460352.db2.gz GJVMCQXUJQYRJQ-PMPSAXMXSA-N 2 1 368.457 0.088 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129977797 1201460353 /nfs/dbraw/zinc/46/03/53/1201460353.db2.gz GJVMCQXUJQYRJQ-PMPSAXMXSA-N 2 1 368.457 0.088 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980545 1201461037 /nfs/dbraw/zinc/46/10/37/1201461037.db2.gz MYELNAVSRGLNBP-NXOAAHMSSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012085 1201471074 /nfs/dbraw/zinc/47/10/74/1201471074.db2.gz NVSHTIGDEQWWOV-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006231 1201476265 /nfs/dbraw/zinc/47/62/65/1201476265.db2.gz YRTJRTYKDDWBKF-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130034603 1201482325 /nfs/dbraw/zinc/48/23/25/1201482325.db2.gz UEDFGXOGJAWEES-IMJJTQAJSA-N 2 1 361.450 0.258 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130038352 1201482851 /nfs/dbraw/zinc/48/28/51/1201482851.db2.gz ZIVQPZGRQFVHNY-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130047768 1201486324 /nfs/dbraw/zinc/48/63/24/1201486324.db2.gz RUGQFFZFUABJKO-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1)OC ZINC001130123646 1201511797 /nfs/dbraw/zinc/51/17/97/1201511797.db2.gz XOYYIBQXPBHNFM-OAGGEKHMSA-N 2 1 361.450 0.250 20 0 FCADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2n2ccnn2)c1 ZINC001130137372 1201515538 /nfs/dbraw/zinc/51/55/38/1201515538.db2.gz WBPDIOACJQFEHE-MSOLQXFVSA-N 2 1 371.489 0.863 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919606 1224680450 /nfs/dbraw/zinc/68/04/50/1224680450.db2.gz FLYZCMGUFMNIQC-MSOLQXFVSA-N 2 1 364.490 0.886 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C1CCCCC1 ZINC001130184235 1201536626 /nfs/dbraw/zinc/53/66/26/1201536626.db2.gz HOQJUKHAAAXUSM-HLLBOEOZSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C1CCCCC1 ZINC001130184235 1201536629 /nfs/dbraw/zinc/53/66/29/1201536629.db2.gz HOQJUKHAAAXUSM-HLLBOEOZSA-N 2 1 368.522 0.591 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919519 1224680535 /nfs/dbraw/zinc/68/05/35/1224680535.db2.gz AVTWBTFQAZXFIF-MSOLQXFVSA-N 2 1 362.474 0.638 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130246686 1201566564 /nfs/dbraw/zinc/56/65/64/1201566564.db2.gz MUFIZZSTUDJKIL-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001130246686 1201566571 /nfs/dbraw/zinc/56/65/71/1201566571.db2.gz MUFIZZSTUDJKIL-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130246686 1201566575 /nfs/dbraw/zinc/56/65/75/1201566575.db2.gz MUFIZZSTUDJKIL-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130246686 1201566580 /nfs/dbraw/zinc/56/65/80/1201566580.db2.gz MUFIZZSTUDJKIL-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130246686 1201566584 /nfs/dbraw/zinc/56/65/84/1201566584.db2.gz MUFIZZSTUDJKIL-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1)C1CC1 ZINC001219949391 1224695581 /nfs/dbraw/zinc/69/55/81/1224695581.db2.gz AOENFYZBAJYDLY-SQNIBIBYSA-N 2 1 358.442 0.924 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555411 1202715748 /nfs/dbraw/zinc/71/57/48/1202715748.db2.gz BLXPEYKNYDTGBH-CGTJXYLNSA-N 2 1 363.506 0.681 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555411 1202715749 /nfs/dbraw/zinc/71/57/49/1202715749.db2.gz BLXPEYKNYDTGBH-CGTJXYLNSA-N 2 1 363.506 0.681 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130605215 1202733309 /nfs/dbraw/zinc/73/33/09/1202733309.db2.gz ZLCNVBPUIJHZCT-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130627225 1202736052 /nfs/dbraw/zinc/73/60/52/1202736052.db2.gz ZSWJJZHMPKCSFH-HLLBOEOZSA-N 2 1 360.462 0.544 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672298 1202752460 /nfs/dbraw/zinc/75/24/60/1202752460.db2.gz LWNZRBSKOBIGKK-SOLBZPMBSA-N 2 1 363.506 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130719665 1202766206 /nfs/dbraw/zinc/76/62/06/1202766206.db2.gz YNBFPWDNZQWQAW-SOLBZPMBSA-N 2 1 365.522 0.807 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726175 1202767537 /nfs/dbraw/zinc/76/75/37/1202767537.db2.gz OKGRYIACVKMPHU-UKPHBRMFSA-N 2 1 360.462 0.544 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072314 1224744988 /nfs/dbraw/zinc/74/49/88/1224744988.db2.gz QAJDDCIWUJNKGD-SJORKVTESA-N 2 1 371.522 0.323 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072314 1224744993 /nfs/dbraw/zinc/74/49/93/1224744993.db2.gz QAJDDCIWUJNKGD-SJORKVTESA-N 2 1 371.522 0.323 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C[NH+](C)C)CC3)n[nH]2)O1 ZINC001130802133 1202803328 /nfs/dbraw/zinc/80/33/28/1202803328.db2.gz DJILZOXYCOKFAS-UONOGXRCSA-N 2 1 364.494 0.982 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C[NH+](C)C)CC3)n[nH]2)O1 ZINC001130802242 1202803459 /nfs/dbraw/zinc/80/34/59/1202803459.db2.gz JQCFPHBSOCCLRJ-UONOGXRCSA-N 2 1 364.494 0.981 20 0 FCADMP CCN1CCN(C(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000807318283 1202820495 /nfs/dbraw/zinc/82/04/95/1202820495.db2.gz IKGKBCVMPYMVPX-INIZCTEOSA-N 2 1 373.501 0.930 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120943 1202865851 /nfs/dbraw/zinc/86/58/51/1202865851.db2.gz DSBLZJYBRKUIGK-BRWVUGGUSA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131132414 1202869858 /nfs/dbraw/zinc/86/98/58/1202869858.db2.gz JUEUMLLRFSKLTR-BRWVUGGUSA-N 2 1 363.506 0.561 20 0 FCADMP O=C([C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205986 1202877621 /nfs/dbraw/zinc/87/76/21/1202877621.db2.gz AATNWOWSUABDND-HNAYVOBHSA-N 2 1 362.474 0.805 20 0 FCADMP O=C([C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205986 1202877622 /nfs/dbraw/zinc/87/76/22/1202877622.db2.gz AATNWOWSUABDND-HNAYVOBHSA-N 2 1 362.474 0.805 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665199 1202886738 /nfs/dbraw/zinc/88/67/38/1202886738.db2.gz WFHRLKKLJJMSJB-ZMSDIMECSA-N 2 1 362.474 0.795 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665199 1202886740 /nfs/dbraw/zinc/88/67/40/1202886740.db2.gz WFHRLKKLJJMSJB-ZMSDIMECSA-N 2 1 362.474 0.795 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCC4CC4)C[C@H]32)C1 ZINC001131313595 1202887853 /nfs/dbraw/zinc/88/78/53/1202887853.db2.gz XAWFQYKWUXHCHI-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361771 1202890669 /nfs/dbraw/zinc/89/06/69/1202890669.db2.gz CSHWDXROCNGNJM-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](O)CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361771 1202890671 /nfs/dbraw/zinc/89/06/71/1202890671.db2.gz CSHWDXROCNGNJM-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](O)CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361771 1202890674 /nfs/dbraw/zinc/89/06/74/1202890674.db2.gz CSHWDXROCNGNJM-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](O)CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361771 1202890676 /nfs/dbraw/zinc/89/06/76/1202890676.db2.gz CSHWDXROCNGNJM-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1)C(N)=O ZINC001131587809 1202916179 /nfs/dbraw/zinc/91/61/79/1202916179.db2.gz AXCXHDRGTVJIFD-NUJGCVRESA-N 2 1 368.522 0.578 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131596948 1202919294 /nfs/dbraw/zinc/91/92/94/1202919294.db2.gz CAJKABFWUALGCK-SCTDSRPQSA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086694394 1202967194 /nfs/dbraw/zinc/96/71/94/1202967194.db2.gz PXCFYGAEMJESFC-BBWFWOEESA-N 2 1 365.522 0.759 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001086699769 1202974671 /nfs/dbraw/zinc/97/46/71/1202974671.db2.gz FVYMFQUJGBOJIF-HLPPOEQASA-N 2 1 361.494 0.723 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086700157 1202974790 /nfs/dbraw/zinc/97/47/90/1202974790.db2.gz APASFSDPEWVGCA-QKPAOTATSA-N 2 1 363.510 0.798 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327209 1202993386 /nfs/dbraw/zinc/99/33/86/1202993386.db2.gz YZQHLEKYIUILJN-JSGCOSHPSA-N 2 1 373.457 0.454 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nncn1C ZINC001134126598 1203015361 /nfs/dbraw/zinc/01/53/61/1203015361.db2.gz ZCMHOJNRBGBIMN-UAGQMJEPSA-N 2 1 356.474 0.927 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nncn1C ZINC001134126598 1203015366 /nfs/dbraw/zinc/01/53/66/1203015366.db2.gz ZCMHOJNRBGBIMN-UAGQMJEPSA-N 2 1 356.474 0.927 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086784980 1203092085 /nfs/dbraw/zinc/09/20/85/1203092085.db2.gz DORFKAMCEOLOJU-ZMSDIMECSA-N 2 1 365.478 0.862 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086783956 1203092299 /nfs/dbraw/zinc/09/22/99/1203092299.db2.gz WQRIHUYJLYHLKE-HRCADAONSA-N 2 1 363.510 0.707 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086783956 1203092303 /nfs/dbraw/zinc/09/23/03/1203092303.db2.gz WQRIHUYJLYHLKE-HRCADAONSA-N 2 1 363.510 0.707 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC001086784911 1203092692 /nfs/dbraw/zinc/09/26/92/1203092692.db2.gz APSAGHDWKHAOFO-BBWFWOEESA-N 2 1 361.490 0.960 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cn(C)nn3)C1)C2 ZINC001086802861 1203101258 /nfs/dbraw/zinc/10/12/58/1203101258.db2.gz DUCIRKLHIWNSST-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863209 1203101757 /nfs/dbraw/zinc/10/17/57/1203101757.db2.gz TVOJHQHZUMLMSB-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCC([N@@H+]2CCCN(Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000817371986 1203102325 /nfs/dbraw/zinc/10/23/25/1203102325.db2.gz DESXZDYYZYDMLD-UHFFFAOYSA-N 2 1 358.490 0.946 20 0 FCADMP CC[NH+]1CCC([N@H+]2CCCN(Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000817371986 1203102326 /nfs/dbraw/zinc/10/23/26/1203102326.db2.gz DESXZDYYZYDMLD-UHFFFAOYSA-N 2 1 358.490 0.946 20 0 FCADMP CON(C)C(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819040891 1203148496 /nfs/dbraw/zinc/14/84/96/1203148496.db2.gz PDVHPEDWDWJCSQ-QGZVFWFLSA-N 2 1 362.474 0.883 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000820245970 1203182024 /nfs/dbraw/zinc/18/20/24/1203182024.db2.gz ZNTVNVWWYDSUOR-GOSISDBHSA-N 2 1 358.486 0.932 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001090551963 1203215233 /nfs/dbraw/zinc/21/52/33/1203215233.db2.gz JEMVAXKEDQCEJM-ARFHVFGLSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001090551963 1203215236 /nfs/dbraw/zinc/21/52/36/1203215236.db2.gz JEMVAXKEDQCEJM-ARFHVFGLSA-N 2 1 361.490 0.888 20 0 FCADMP C[N@@H+]1CCCN(CCNC(=O)[C@H]2[C@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675380 1203323960 /nfs/dbraw/zinc/32/39/60/1203323960.db2.gz HRVWTBDQRJWZLQ-RTBURBONSA-N 2 1 360.502 0.376 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2[C@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675380 1203323962 /nfs/dbraw/zinc/32/39/62/1203323962.db2.gz HRVWTBDQRJWZLQ-RTBURBONSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143675380 1203323965 /nfs/dbraw/zinc/32/39/65/1203323965.db2.gz HRVWTBDQRJWZLQ-RTBURBONSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143675380 1203323968 /nfs/dbraw/zinc/32/39/68/1203323968.db2.gz HRVWTBDQRJWZLQ-RTBURBONSA-N 2 1 360.502 0.376 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885072 1203331814 /nfs/dbraw/zinc/33/18/14/1203331814.db2.gz CUHYHUCBCFEDTN-DLBZAZTESA-N 2 1 371.441 0.270 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844173004 1203337898 /nfs/dbraw/zinc/33/78/98/1203337898.db2.gz MCNWUBLOPGUCGT-SJORKVTESA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844173004 1203337900 /nfs/dbraw/zinc/33/79/00/1203337900.db2.gz MCNWUBLOPGUCGT-SJORKVTESA-N 2 1 360.458 0.843 20 0 FCADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000844179569 1203338204 /nfs/dbraw/zinc/33/82/04/1203338204.db2.gz MMZBTLJIUFUAFN-GOSISDBHSA-N 2 1 374.485 0.216 20 0 FCADMP O=C(CO[C@H]1CCC[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000844192566 1203338491 /nfs/dbraw/zinc/33/84/91/1203338491.db2.gz YRYQRLFMKHRAOK-SFHVURJKSA-N 2 1 364.465 0.833 20 0 FCADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000844191256 1203338624 /nfs/dbraw/zinc/33/86/24/1203338624.db2.gz VKJSATVGFGIDAY-GOSISDBHSA-N 2 1 361.490 0.479 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001220230331 1224810964 /nfs/dbraw/zinc/81/09/64/1224810964.db2.gz BDSRYOPJRSCSNJ-KURKYZTESA-N 2 1 361.486 0.093 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220236984 1224812392 /nfs/dbraw/zinc/81/23/92/1224812392.db2.gz MKBTZQIFYMRHJJ-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220238067 1224813293 /nfs/dbraw/zinc/81/32/93/1224813293.db2.gz LJNPQVDJIJVRIA-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001091039234 1204453768 /nfs/dbraw/zinc/45/37/68/1204453768.db2.gz UJLCFCPLHUGMHY-SJJHQCBESA-N 2 1 366.506 0.060 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091112937 1204510554 /nfs/dbraw/zinc/51/05/54/1204510554.db2.gz OVRKGYFKNOZUKE-CVEARBPZSA-N 2 1 361.490 0.889 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O)[NH+](CC)CC ZINC001220344753 1224836848 /nfs/dbraw/zinc/83/68/48/1224836848.db2.gz HYSXRAKMLGWFEF-PMPSAXMXSA-N 2 1 367.494 0.592 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@@H]1O)[NH+](CC)CC ZINC001220344753 1224836851 /nfs/dbraw/zinc/83/68/51/1224836851.db2.gz HYSXRAKMLGWFEF-PMPSAXMXSA-N 2 1 367.494 0.592 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091195428 1204598627 /nfs/dbraw/zinc/59/86/27/1204598627.db2.gz URNSUZNLASZACY-ZACQAIPSSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091195428 1204598633 /nfs/dbraw/zinc/59/86/33/1204598633.db2.gz URNSUZNLASZACY-ZACQAIPSSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000846329612 1204610709 /nfs/dbraw/zinc/61/07/09/1204610709.db2.gz IETSWORRWQZFKE-UHFFFAOYSA-N 2 1 370.457 0.698 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)cn1 ZINC000846330086 1204615167 /nfs/dbraw/zinc/61/51/67/1204615167.db2.gz OXNACLMGFOEIRW-UHFFFAOYSA-N 2 1 370.457 0.779 20 0 FCADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898755 1204672663 /nfs/dbraw/zinc/67/26/63/1204672663.db2.gz CASQXANYQZEKCJ-SJORKVTESA-N 2 1 370.538 0.926 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898755 1204672665 /nfs/dbraw/zinc/67/26/65/1204672665.db2.gz CASQXANYQZEKCJ-SJORKVTESA-N 2 1 370.538 0.926 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)cc1=O ZINC001091531909 1204702312 /nfs/dbraw/zinc/70/23/12/1204702312.db2.gz YQTTZODLUCWUEV-UWVAXJGDSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)cc1=O ZINC001091531909 1204702317 /nfs/dbraw/zinc/70/23/17/1204702317.db2.gz YQTTZODLUCWUEV-UWVAXJGDSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)cc1=O ZINC001091531909 1204702322 /nfs/dbraw/zinc/70/23/22/1204702322.db2.gz YQTTZODLUCWUEV-UWVAXJGDSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664293 1204810914 /nfs/dbraw/zinc/81/09/14/1204810914.db2.gz GADUCJIHSCGPLV-GJYPPUQNSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666877 1204812872 /nfs/dbraw/zinc/81/28/72/1204812872.db2.gz JOLMCHNZZDGRIW-SYNHAJSKSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666877 1204812874 /nfs/dbraw/zinc/81/28/74/1204812874.db2.gz JOLMCHNZZDGRIW-SYNHAJSKSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666877 1204812875 /nfs/dbraw/zinc/81/28/75/1204812875.db2.gz JOLMCHNZZDGRIW-SYNHAJSKSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)CC1 ZINC001091679621 1204818863 /nfs/dbraw/zinc/81/88/63/1204818863.db2.gz HDMBGAXYJZFRRP-XSYGEPLQSA-N 2 1 365.518 0.506 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091674872 1204819358 /nfs/dbraw/zinc/81/93/58/1204819358.db2.gz XYHZTKQLJGYWON-QINHECLXSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]1C[NH+](CC(N)=O)C2 ZINC001091674872 1204819359 /nfs/dbraw/zinc/81/93/59/1204819359.db2.gz XYHZTKQLJGYWON-QINHECLXSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]1C[NH+](CC(N)=O)C2 ZINC001091674872 1204819360 /nfs/dbraw/zinc/81/93/60/1204819360.db2.gz XYHZTKQLJGYWON-QINHECLXSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091682971 1204821205 /nfs/dbraw/zinc/82/12/05/1204821205.db2.gz AECNUBVNZZQZTI-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091682971 1204821206 /nfs/dbraw/zinc/82/12/06/1204821206.db2.gz AECNUBVNZZQZTI-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091682971 1204821207 /nfs/dbraw/zinc/82/12/07/1204821207.db2.gz AECNUBVNZZQZTI-VIPLHTEESA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091684822 1204821817 /nfs/dbraw/zinc/82/18/17/1204821817.db2.gz RUAXKHHMBRETLZ-YZLZLFLDSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091684822 1204821820 /nfs/dbraw/zinc/82/18/20/1204821820.db2.gz RUAXKHHMBRETLZ-YZLZLFLDSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091684822 1204821822 /nfs/dbraw/zinc/82/18/22/1204821822.db2.gz RUAXKHHMBRETLZ-YZLZLFLDSA-N 2 1 362.518 0.729 20 0 FCADMP CCn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)n1 ZINC001086880178 1204855728 /nfs/dbraw/zinc/85/57/28/1204855728.db2.gz NEOQPLGFUZVCGF-JZXOWHBKSA-N 2 1 363.506 0.998 20 0 FCADMP CCn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)n1 ZINC001086880178 1204855730 /nfs/dbraw/zinc/85/57/30/1204855730.db2.gz NEOQPLGFUZVCGF-JZXOWHBKSA-N 2 1 363.506 0.998 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087055760 1204935102 /nfs/dbraw/zinc/93/51/02/1204935102.db2.gz BHVAWZFPHNWWMD-XLNGHYISSA-N 2 1 365.478 0.753 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059498 1204944546 /nfs/dbraw/zinc/94/45/46/1204944546.db2.gz IZOLOMROVFTFMW-SJLPKXTDSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083738 1204971037 /nfs/dbraw/zinc/97/10/37/1204971037.db2.gz QMYNFEXEGTYSFD-YSVLISHTSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083366 1204971166 /nfs/dbraw/zinc/97/11/66/1204971166.db2.gz BABGOBTZTBEDIB-BZUAXINKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083846 1204971887 /nfs/dbraw/zinc/97/18/87/1204971887.db2.gz VMBHUVZCMQOFME-LZLYRXPVSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087084574 1204974292 /nfs/dbraw/zinc/97/42/92/1204974292.db2.gz JIKJGYLWSTYHMR-QLFBSQMISA-N 2 1 367.494 0.925 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087079517 1204991451 /nfs/dbraw/zinc/99/14/51/1204991451.db2.gz SYXUYMSSPPRIPC-HZPDHXFCSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087100743 1204997109 /nfs/dbraw/zinc/99/71/09/1204997109.db2.gz BLULYUMCQWACIG-JFIYKMOQSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087101657 1204999700 /nfs/dbraw/zinc/99/97/00/1204999700.db2.gz VXXAUNGZRCPCKQ-NVXWUHKLSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087096380 1205003525 /nfs/dbraw/zinc/00/35/25/1205003525.db2.gz KIXBRKROPTZKPN-LZLYRXPVSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087096615 1205004243 /nfs/dbraw/zinc/00/42/43/1205004243.db2.gz VBSHTIRZIINGBW-BZUAXINKSA-N 2 1 364.494 0.408 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)nn1 ZINC001091819299 1205041257 /nfs/dbraw/zinc/04/12/57/1205041257.db2.gz UUTMBPJMCPSMFE-QAPCUYQASA-N 2 1 358.490 0.724 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)nn1 ZINC001091819299 1205041260 /nfs/dbraw/zinc/04/12/60/1205041260.db2.gz UUTMBPJMCPSMFE-QAPCUYQASA-N 2 1 358.490 0.724 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819430 1205041568 /nfs/dbraw/zinc/04/15/68/1205041568.db2.gz YTLCBTBFQRBNTC-QAPCUYQASA-N 2 1 358.490 0.724 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819430 1205041572 /nfs/dbraw/zinc/04/15/72/1205041572.db2.gz YTLCBTBFQRBNTC-QAPCUYQASA-N 2 1 358.490 0.724 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910335 1205069256 /nfs/dbraw/zinc/06/92/56/1205069256.db2.gz SLAAMBZJJDPVOY-QINHECLXSA-N 2 1 362.518 0.872 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012982 1205113617 /nfs/dbraw/zinc/11/36/17/1205113617.db2.gz FRUIHTLNUUDBKJ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012982 1205113634 /nfs/dbraw/zinc/11/36/34/1205113634.db2.gz FRUIHTLNUUDBKJ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012982 1205113641 /nfs/dbraw/zinc/11/36/41/1205113641.db2.gz FRUIHTLNUUDBKJ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012982 1205113648 /nfs/dbraw/zinc/11/36/48/1205113648.db2.gz FRUIHTLNUUDBKJ-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092060751 1205130069 /nfs/dbraw/zinc/13/00/69/1205130069.db2.gz DHZCGXLFSKPQBG-CLCXKQKWSA-N 2 1 359.474 0.675 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092060751 1205130073 /nfs/dbraw/zinc/13/00/73/1205130073.db2.gz DHZCGXLFSKPQBG-CLCXKQKWSA-N 2 1 359.474 0.675 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC001092099500 1205154643 /nfs/dbraw/zinc/15/46/43/1205154643.db2.gz VIRRLVAEHGZTOM-GGPKGHCWSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC001092099500 1205154657 /nfs/dbraw/zinc/15/46/57/1205154657.db2.gz VIRRLVAEHGZTOM-GGPKGHCWSA-N 2 1 365.518 0.916 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC1 ZINC001092129374 1205168819 /nfs/dbraw/zinc/16/88/19/1205168819.db2.gz JDESVYBLQIARQG-UZLBHIALSA-N 2 1 362.518 0.777 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092130622 1205169373 /nfs/dbraw/zinc/16/93/73/1205169373.db2.gz DKRDPCXQSQBLBJ-MJGOQNOKSA-N 2 1 360.506 0.790 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203384 1205197063 /nfs/dbraw/zinc/19/70/63/1205197063.db2.gz NDQLIPQVDJJUQC-QAPCUYQASA-N 2 1 358.490 0.674 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203384 1205197065 /nfs/dbraw/zinc/19/70/65/1205197065.db2.gz NDQLIPQVDJJUQC-QAPCUYQASA-N 2 1 358.490 0.674 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301356 1205234574 /nfs/dbraw/zinc/23/45/74/1205234574.db2.gz FKMXKHUCBMPUGS-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301356 1205234580 /nfs/dbraw/zinc/23/45/80/1205234580.db2.gz FKMXKHUCBMPUGS-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301356 1205234583 /nfs/dbraw/zinc/23/45/83/1205234583.db2.gz FKMXKHUCBMPUGS-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287003 1205253042 /nfs/dbraw/zinc/25/30/42/1205253042.db2.gz RSPQNNKINLSTGT-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287003 1205253046 /nfs/dbraw/zinc/25/30/46/1205253046.db2.gz RSPQNNKINLSTGT-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287003 1205253049 /nfs/dbraw/zinc/25/30/49/1205253049.db2.gz RSPQNNKINLSTGT-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287003 1205253054 /nfs/dbraw/zinc/25/30/54/1205253054.db2.gz RSPQNNKINLSTGT-AOIWGVFYSA-N 2 1 362.474 0.984 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092524551 1205303241 /nfs/dbraw/zinc/30/32/41/1205303241.db2.gz ZMQOOEBBAVWBCJ-OLMNPRSZSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092524551 1205303244 /nfs/dbraw/zinc/30/32/44/1205303244.db2.gz ZMQOOEBBAVWBCJ-OLMNPRSZSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092524551 1205303246 /nfs/dbraw/zinc/30/32/46/1205303246.db2.gz ZMQOOEBBAVWBCJ-OLMNPRSZSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092524551 1205303248 /nfs/dbraw/zinc/30/32/48/1205303248.db2.gz ZMQOOEBBAVWBCJ-OLMNPRSZSA-N 2 1 363.506 0.515 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220482301 1224888135 /nfs/dbraw/zinc/88/81/35/1224888135.db2.gz LQJWKLDAOINSJP-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220482301 1224888137 /nfs/dbraw/zinc/88/81/37/1224888137.db2.gz LQJWKLDAOINSJP-BBWFWOEESA-N 2 1 364.490 0.985 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220491758 1224891262 /nfs/dbraw/zinc/89/12/62/1224891262.db2.gz CUKZNTZAZHLFOB-AKHDSKFASA-N 2 1 370.497 0.629 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)C1 ZINC001220527425 1224907218 /nfs/dbraw/zinc/90/72/18/1224907218.db2.gz JBEJNTGZVVKUIE-BEFAXECRSA-N 2 1 355.486 0.980 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911645 1205940539 /nfs/dbraw/zinc/94/05/39/1205940539.db2.gz WGLUNHYDCNTUMQ-BFYDXBDKSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911645 1205940542 /nfs/dbraw/zinc/94/05/42/1205940542.db2.gz WGLUNHYDCNTUMQ-BFYDXBDKSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001092911645 1205940547 /nfs/dbraw/zinc/94/05/47/1205940547.db2.gz WGLUNHYDCNTUMQ-BFYDXBDKSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084420 1206014473 /nfs/dbraw/zinc/01/44/73/1206014473.db2.gz JJFGCQCBIUYKBQ-CKEIUWERSA-N 2 1 370.457 0.829 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084420 1206014476 /nfs/dbraw/zinc/01/44/76/1206014476.db2.gz JJFGCQCBIUYKBQ-CKEIUWERSA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085381 1206015078 /nfs/dbraw/zinc/01/50/78/1206015078.db2.gz XEQUYIKVLIELAJ-HZSPNIEDSA-N 2 1 356.430 0.439 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085381 1206015081 /nfs/dbraw/zinc/01/50/81/1206015081.db2.gz XEQUYIKVLIELAJ-HZSPNIEDSA-N 2 1 356.430 0.439 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208975 1206057248 /nfs/dbraw/zinc/05/72/48/1206057248.db2.gz MNEWYARJAJIUKQ-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208975 1206057252 /nfs/dbraw/zinc/05/72/52/1206057252.db2.gz MNEWYARJAJIUKQ-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208975 1206057255 /nfs/dbraw/zinc/05/72/55/1206057255.db2.gz MNEWYARJAJIUKQ-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208975 1206057258 /nfs/dbraw/zinc/05/72/58/1206057258.db2.gz MNEWYARJAJIUKQ-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093223441 1206062113 /nfs/dbraw/zinc/06/21/13/1206062113.db2.gz ZDJLWHQUDHBZQF-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)cc1=O ZINC001093674216 1206099795 /nfs/dbraw/zinc/09/97/95/1206099795.db2.gz CEFZNKOQLBHVNB-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001093857476 1206135351 /nfs/dbraw/zinc/13/53/51/1206135351.db2.gz GVNROISFSNEMJA-DTTOXWODSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001093857476 1206135352 /nfs/dbraw/zinc/13/53/52/1206135352.db2.gz GVNROISFSNEMJA-DTTOXWODSA-N 2 1 361.490 0.688 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)n1 ZINC001093864122 1206136703 /nfs/dbraw/zinc/13/67/03/1206136703.db2.gz FOLNYPQEXKFTSQ-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)CC2 ZINC001093999637 1206167562 /nfs/dbraw/zinc/16/75/62/1206167562.db2.gz DZFFYVWBWAYGLA-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)C2 ZINC001094043264 1206174928 /nfs/dbraw/zinc/17/49/28/1206174928.db2.gz DKXXBQPHBBRGGM-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1)[NH+](C)C ZINC001094049131 1206175991 /nfs/dbraw/zinc/17/59/91/1206175991.db2.gz IGCODFCCABSFHH-KFWWJZLASA-N 2 1 367.494 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094219181 1206202871 /nfs/dbraw/zinc/20/28/71/1206202871.db2.gz GAHMHOAMKILRNW-HZSPNIEDSA-N 2 1 370.448 0.679 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001094221319 1206203936 /nfs/dbraw/zinc/20/39/36/1206203936.db2.gz HGCQCINOSXVWIC-RHSMWYFYSA-N 2 1 357.458 0.775 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001094234095 1206208821 /nfs/dbraw/zinc/20/88/21/1206208821.db2.gz KJZXNLOGINCEGL-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001094234095 1206208823 /nfs/dbraw/zinc/20/88/23/1206208823.db2.gz KJZXNLOGINCEGL-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CC[C@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1)OC ZINC001094293512 1206215315 /nfs/dbraw/zinc/21/53/15/1206215315.db2.gz QSODJDKAYLETTL-KBRIMQKVSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1)OC ZINC001094293512 1206215318 /nfs/dbraw/zinc/21/53/18/1206215318.db2.gz QSODJDKAYLETTL-KBRIMQKVSA-N 2 1 364.494 0.516 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039490 1206255693 /nfs/dbraw/zinc/25/56/93/1206255693.db2.gz IRJFUHPIPGOLRM-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039490 1206255696 /nfs/dbraw/zinc/25/56/96/1206255696.db2.gz IRJFUHPIPGOLRM-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1=O ZINC001172039490 1206255697 /nfs/dbraw/zinc/25/56/97/1206255697.db2.gz IRJFUHPIPGOLRM-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CN1[C@H]2COC[C@@H]1CC([N@H+]1CCc3ccc(=O)n(CC[NH+](C)C)c3CC1)C2 ZINC001172136211 1206257396 /nfs/dbraw/zinc/25/73/96/1206257396.db2.gz BZVODHTWDHPSTI-YQQQUEKLSA-N 2 1 374.529 0.672 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H]3O[C@H](C(=O)NCCOC)C[C@H]32)CC1 ZINC001172251444 1206260367 /nfs/dbraw/zinc/26/03/67/1206260367.db2.gz POZLXODAYLUFIA-KURKYZTESA-N 2 1 369.506 0.482 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2CC[C@H]3O[C@H](C(=O)NCCOC)C[C@H]32)CC1 ZINC001172251444 1206260370 /nfs/dbraw/zinc/26/03/70/1206260370.db2.gz POZLXODAYLUFIA-KURKYZTESA-N 2 1 369.506 0.482 20 0 FCADMP O=C(c1ccc(F)cc1)N1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001172992618 1206265524 /nfs/dbraw/zinc/26/55/24/1206265524.db2.gz CHWSIVSBTZDVKL-UHFFFAOYSA-N 2 1 367.465 0.697 20 0 FCADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760857 1206288328 /nfs/dbraw/zinc/28/83/28/1206288328.db2.gz KJDYDIUISCUSGU-WKULXVSPSA-N 2 1 371.493 0.843 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760857 1206288331 /nfs/dbraw/zinc/28/83/31/1206288331.db2.gz KJDYDIUISCUSGU-WKULXVSPSA-N 2 1 371.493 0.843 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760857 1206288333 /nfs/dbraw/zinc/28/83/33/1206288333.db2.gz KJDYDIUISCUSGU-WKULXVSPSA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760857 1206288335 /nfs/dbraw/zinc/28/83/35/1206288335.db2.gz KJDYDIUISCUSGU-WKULXVSPSA-N 2 1 371.493 0.843 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]21 ZINC001173760857 1206288337 /nfs/dbraw/zinc/28/83/37/1206288337.db2.gz KJDYDIUISCUSGU-WKULXVSPSA-N 2 1 371.493 0.843 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178518155 1206358296 /nfs/dbraw/zinc/35/82/96/1206358296.db2.gz HUFRGXNKKBTTEI-HUUCEWRRSA-N 2 1 369.510 0.439 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CC1 ZINC001178811395 1206365882 /nfs/dbraw/zinc/36/58/82/1206365882.db2.gz UIIDOGRKVONCIP-BFYDXBDKSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CC1 ZINC001178811395 1206365884 /nfs/dbraw/zinc/36/58/84/1206365884.db2.gz UIIDOGRKVONCIP-BFYDXBDKSA-N 2 1 368.522 0.639 20 0 FCADMP COc1cc(C)nc(N(C(=O)CN2CC[NH+](C)CC2)C2CC[NH2+]CC2)n1 ZINC001178951631 1206368664 /nfs/dbraw/zinc/36/86/64/1206368664.db2.gz DOGDFHYUKCHDBZ-UHFFFAOYSA-N 2 1 362.478 0.126 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C)C1CC1 ZINC001178982044 1206369034 /nfs/dbraw/zinc/36/90/34/1206369034.db2.gz JHRCLHRVCIPROC-YQFWSFKMSA-N 2 1 366.506 0.295 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C)C1CC1 ZINC001178982044 1206369035 /nfs/dbraw/zinc/36/90/35/1206369035.db2.gz JHRCLHRVCIPROC-YQFWSFKMSA-N 2 1 366.506 0.295 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220585002 1224950216 /nfs/dbraw/zinc/95/02/16/1224950216.db2.gz SRNWLSUVZZOLKV-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220585046 1224951221 /nfs/dbraw/zinc/95/12/21/1224951221.db2.gz UZHCWPBPGZBXAC-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220585046 1224951225 /nfs/dbraw/zinc/95/12/25/1224951225.db2.gz UZHCWPBPGZBXAC-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cc(C)no3)C2)CC[N@H+]1C ZINC001182693117 1206442114 /nfs/dbraw/zinc/44/21/14/1206442114.db2.gz SHKMQSXICVIMPZ-QLFBSQMISA-N 2 1 363.462 0.842 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001185258874 1206477969 /nfs/dbraw/zinc/47/79/69/1206477969.db2.gz ZLFUFDOVTSKUSY-SFHVURJKSA-N 2 1 368.485 0.961 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001185784285 1206485511 /nfs/dbraw/zinc/48/55/11/1206485511.db2.gz RYKRNDFSRIRDTH-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326307 1206521151 /nfs/dbraw/zinc/52/11/51/1206521151.db2.gz KVNQYIVNOIXSLE-USXIJHARSA-N 2 1 360.458 0.523 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001220642687 1224982317 /nfs/dbraw/zinc/98/23/17/1224982317.db2.gz IMPFRURECFWDON-FGTMMUONSA-N 2 1 369.506 0.074 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190027 1207430948 /nfs/dbraw/zinc/43/09/48/1207430948.db2.gz UJGGCKDTZVPCEI-OKZBNKHCSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190027 1207430951 /nfs/dbraw/zinc/43/09/51/1207430951.db2.gz UJGGCKDTZVPCEI-OKZBNKHCSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190027 1207430954 /nfs/dbraw/zinc/43/09/54/1207430954.db2.gz UJGGCKDTZVPCEI-OKZBNKHCSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190027 1207430956 /nfs/dbraw/zinc/43/09/56/1207430956.db2.gz UJGGCKDTZVPCEI-OKZBNKHCSA-N 2 1 364.534 0.975 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246906 1207433912 /nfs/dbraw/zinc/43/39/12/1207433912.db2.gz PGAKHXFHKQWXKH-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246906 1207433916 /nfs/dbraw/zinc/43/39/16/1207433916.db2.gz PGAKHXFHKQWXKH-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246906 1207433919 /nfs/dbraw/zinc/43/39/19/1207433919.db2.gz PGAKHXFHKQWXKH-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246906 1207433922 /nfs/dbraw/zinc/43/39/22/1207433922.db2.gz PGAKHXFHKQWXKH-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219697 1207435923 /nfs/dbraw/zinc/43/59/23/1207435923.db2.gz XQMIRLIMGOLAHP-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219697 1207435927 /nfs/dbraw/zinc/43/59/27/1207435927.db2.gz XQMIRLIMGOLAHP-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219697 1207435929 /nfs/dbraw/zinc/43/59/29/1207435929.db2.gz XQMIRLIMGOLAHP-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219697 1207435933 /nfs/dbraw/zinc/43/59/33/1207435933.db2.gz XQMIRLIMGOLAHP-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188643329 1207472425 /nfs/dbraw/zinc/47/24/25/1207472425.db2.gz PDEPHYBMMAMYKJ-YQVWRLOYSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188643329 1207472427 /nfs/dbraw/zinc/47/24/27/1207472427.db2.gz PDEPHYBMMAMYKJ-YQVWRLOYSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118259 1207502807 /nfs/dbraw/zinc/50/28/07/1207502807.db2.gz TVWLSVUOAWHQKI-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118259 1207502816 /nfs/dbraw/zinc/50/28/16/1207502816.db2.gz TVWLSVUOAWHQKI-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118259 1207502823 /nfs/dbraw/zinc/50/28/23/1207502823.db2.gz TVWLSVUOAWHQKI-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001189135016 1207510759 /nfs/dbraw/zinc/51/07/59/1207510759.db2.gz JGMDVGCPFPPXRS-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001189135016 1207510763 /nfs/dbraw/zinc/51/07/63/1207510763.db2.gz JGMDVGCPFPPXRS-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001189135016 1207510767 /nfs/dbraw/zinc/51/07/67/1207510767.db2.gz JGMDVGCPFPPXRS-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](COCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001189182515 1207515673 /nfs/dbraw/zinc/51/56/73/1207515673.db2.gz XVOCIRSWKCACPU-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H](COCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001189182515 1207515676 /nfs/dbraw/zinc/51/56/76/1207515676.db2.gz XVOCIRSWKCACPU-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001189786314 1207600819 /nfs/dbraw/zinc/60/08/19/1207600819.db2.gz DFWOVDHZAKIIPF-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001189786314 1207600823 /nfs/dbraw/zinc/60/08/23/1207600823.db2.gz DFWOVDHZAKIIPF-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788118 1207602732 /nfs/dbraw/zinc/60/27/32/1207602732.db2.gz TYRMEYCQIIRKQZ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788118 1207602739 /nfs/dbraw/zinc/60/27/39/1207602739.db2.gz TYRMEYCQIIRKQZ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788118 1207602748 /nfs/dbraw/zinc/60/27/48/1207602748.db2.gz TYRMEYCQIIRKQZ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788118 1207602757 /nfs/dbraw/zinc/60/27/57/1207602757.db2.gz TYRMEYCQIIRKQZ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189811180 1207603913 /nfs/dbraw/zinc/60/39/13/1207603913.db2.gz VKEANMISRBUTMG-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802381 1207610056 /nfs/dbraw/zinc/61/00/56/1207610056.db2.gz XHXZETHMCCQSEB-JKSUJKDBSA-N 2 1 362.518 0.920 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802381 1207610060 /nfs/dbraw/zinc/61/00/60/1207610060.db2.gz XHXZETHMCCQSEB-JKSUJKDBSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801727 1207610690 /nfs/dbraw/zinc/61/06/90/1207610690.db2.gz JZBRUXRDVGBGAH-OKZBNKHCSA-N 2 1 363.502 0.811 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001190248103 1207668105 /nfs/dbraw/zinc/66/81/05/1207668105.db2.gz WVYQBFKYMFLUGL-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001190248103 1207668106 /nfs/dbraw/zinc/66/81/06/1207668106.db2.gz WVYQBFKYMFLUGL-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001190248103 1207668109 /nfs/dbraw/zinc/66/81/09/1207668109.db2.gz WVYQBFKYMFLUGL-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCCCOC)C2)CC[NH+]1C ZINC001190248103 1207668110 /nfs/dbraw/zinc/66/81/10/1207668110.db2.gz WVYQBFKYMFLUGL-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCCCOC)C2)CC[NH+]1C ZINC001190248103 1207668112 /nfs/dbraw/zinc/66/81/12/1207668112.db2.gz WVYQBFKYMFLUGL-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351176 1207679074 /nfs/dbraw/zinc/67/90/74/1207679074.db2.gz SRIZLUHTQGTVRD-QLFBSQMISA-N 2 1 367.494 0.094 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351176 1207679076 /nfs/dbraw/zinc/67/90/76/1207679076.db2.gz SRIZLUHTQGTVRD-QLFBSQMISA-N 2 1 367.494 0.094 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351176 1207679078 /nfs/dbraw/zinc/67/90/78/1207679078.db2.gz SRIZLUHTQGTVRD-QLFBSQMISA-N 2 1 367.494 0.094 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351176 1207679080 /nfs/dbraw/zinc/67/90/80/1207679080.db2.gz SRIZLUHTQGTVRD-QLFBSQMISA-N 2 1 367.494 0.094 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689748 1225017628 /nfs/dbraw/zinc/01/76/28/1225017628.db2.gz OTZVLDLIAXLWCC-BBWFWOEESA-N 2 1 370.538 0.523 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689748 1225017636 /nfs/dbraw/zinc/01/76/36/1225017636.db2.gz OTZVLDLIAXLWCC-BBWFWOEESA-N 2 1 370.538 0.523 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688744 1225016309 /nfs/dbraw/zinc/01/63/09/1225016309.db2.gz PIXFFGFIVKVFIP-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688744 1225016315 /nfs/dbraw/zinc/01/63/15/1225016315.db2.gz PIXFFGFIVKVFIP-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688744 1225016320 /nfs/dbraw/zinc/01/63/20/1225016320.db2.gz PIXFFGFIVKVFIP-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220688744 1225016321 /nfs/dbraw/zinc/01/63/21/1225016321.db2.gz PIXFFGFIVKVFIP-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689748 1225017610 /nfs/dbraw/zinc/01/76/10/1225017610.db2.gz OTZVLDLIAXLWCC-BBWFWOEESA-N 2 1 370.538 0.523 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220689748 1225017619 /nfs/dbraw/zinc/01/76/19/1225017619.db2.gz OTZVLDLIAXLWCC-BBWFWOEESA-N 2 1 370.538 0.523 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786215 1207809263 /nfs/dbraw/zinc/80/92/63/1207809263.db2.gz YPDZVMUQWTYJHL-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786215 1207809264 /nfs/dbraw/zinc/80/92/64/1207809264.db2.gz YPDZVMUQWTYJHL-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786215 1207809266 /nfs/dbraw/zinc/80/92/66/1207809266.db2.gz YPDZVMUQWTYJHL-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786215 1207809268 /nfs/dbraw/zinc/80/92/68/1207809268.db2.gz YPDZVMUQWTYJHL-GUDVDZBRSA-N 2 1 361.486 0.849 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001193928832 1207895985 /nfs/dbraw/zinc/89/59/85/1207895985.db2.gz ARBJLUOBGXPMCR-QRVBRYPASA-N 2 1 363.502 0.985 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892266 1207896969 /nfs/dbraw/zinc/89/69/69/1207896969.db2.gz HQFCPASOKGLUDN-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892266 1207896970 /nfs/dbraw/zinc/89/69/70/1207896970.db2.gz HQFCPASOKGLUDN-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892266 1207896971 /nfs/dbraw/zinc/89/69/71/1207896971.db2.gz HQFCPASOKGLUDN-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001194244374 1207926732 /nfs/dbraw/zinc/92/67/32/1207926732.db2.gz NKGNRYSWMUZFGJ-HZPDHXFCSA-N 2 1 361.446 0.614 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001194244374 1207926737 /nfs/dbraw/zinc/92/67/37/1207926737.db2.gz NKGNRYSWMUZFGJ-HZPDHXFCSA-N 2 1 361.446 0.614 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001194244374 1207926740 /nfs/dbraw/zinc/92/67/40/1207926740.db2.gz NKGNRYSWMUZFGJ-HZPDHXFCSA-N 2 1 361.446 0.614 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001194244374 1207926743 /nfs/dbraw/zinc/92/67/43/1207926743.db2.gz NKGNRYSWMUZFGJ-HZPDHXFCSA-N 2 1 361.446 0.614 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001194264551 1207928617 /nfs/dbraw/zinc/92/86/17/1207928617.db2.gz AZVMJDFVCXUPMP-BRWVUGGUSA-N 2 1 371.522 0.464 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001194264551 1207928620 /nfs/dbraw/zinc/92/86/20/1207928620.db2.gz AZVMJDFVCXUPMP-BRWVUGGUSA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001194264551 1207928623 /nfs/dbraw/zinc/92/86/23/1207928623.db2.gz AZVMJDFVCXUPMP-BRWVUGGUSA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001194264551 1207928625 /nfs/dbraw/zinc/92/86/25/1207928625.db2.gz AZVMJDFVCXUPMP-BRWVUGGUSA-N 2 1 371.522 0.464 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289237 1207934692 /nfs/dbraw/zinc/93/46/92/1207934692.db2.gz FLYZCMGUFMNIQC-QZTJIDSGSA-N 2 1 364.490 0.886 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CC1 ZINC001194728473 1207973929 /nfs/dbraw/zinc/97/39/29/1207973929.db2.gz ABTUSDWFHGHKIZ-KZNAEPCWSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001194982878 1207986544 /nfs/dbraw/zinc/98/65/44/1207986544.db2.gz TXNCMYITAJQWSR-QRVBRYPASA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001194982878 1207986546 /nfs/dbraw/zinc/98/65/46/1207986546.db2.gz TXNCMYITAJQWSR-QRVBRYPASA-N 2 1 365.518 0.839 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195676448 1208032362 /nfs/dbraw/zinc/03/23/62/1208032362.db2.gz FSVCCGYHXHMZCR-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195676448 1208032364 /nfs/dbraw/zinc/03/23/64/1208032364.db2.gz FSVCCGYHXHMZCR-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001195661642 1208034598 /nfs/dbraw/zinc/03/45/98/1208034598.db2.gz SMZFRCAHLIAMKF-QZTJIDSGSA-N 2 1 360.502 0.756 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001195859717 1208041874 /nfs/dbraw/zinc/04/18/74/1208041874.db2.gz NMTCUVSVLHAVRL-QZTJIDSGSA-N 2 1 357.458 0.485 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001196167325 1208062927 /nfs/dbraw/zinc/06/29/27/1208062927.db2.gz DFXUEHQWSLMNMG-GVDBMIGSSA-N 2 1 364.494 0.094 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001196167325 1208062930 /nfs/dbraw/zinc/06/29/30/1208062930.db2.gz DFXUEHQWSLMNMG-GVDBMIGSSA-N 2 1 364.494 0.094 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001196167325 1208062933 /nfs/dbraw/zinc/06/29/33/1208062933.db2.gz DFXUEHQWSLMNMG-GVDBMIGSSA-N 2 1 364.494 0.094 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001196177245 1208064072 /nfs/dbraw/zinc/06/40/72/1208064072.db2.gz UTMZLPBZNSWPBL-BHIYHBOVSA-N 2 1 361.486 0.959 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001196667142 1208100682 /nfs/dbraw/zinc/10/06/82/1208100682.db2.gz LQJWKLDAOINSJP-BRWVUGGUSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001196667142 1208100690 /nfs/dbraw/zinc/10/06/90/1208100690.db2.gz LQJWKLDAOINSJP-BRWVUGGUSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)cc1 ZINC001197058778 1208132060 /nfs/dbraw/zinc/13/20/60/1208132060.db2.gz ZTBFMUNCESZOSQ-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)cc1 ZINC001197058778 1208132064 /nfs/dbraw/zinc/13/20/64/1208132064.db2.gz ZTBFMUNCESZOSQ-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197058662 1208132378 /nfs/dbraw/zinc/13/23/78/1208132378.db2.gz VYJAGASHCIQNFF-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001197782370 1208196174 /nfs/dbraw/zinc/19/61/74/1208196174.db2.gz HRTWBHLKXROMDK-IAGOWNOFSA-N 2 1 371.428 0.247 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001197782370 1208196176 /nfs/dbraw/zinc/19/61/76/1208196176.db2.gz HRTWBHLKXROMDK-IAGOWNOFSA-N 2 1 371.428 0.247 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001197792126 1208196584 /nfs/dbraw/zinc/19/65/84/1208196584.db2.gz KIWRXTLAKCUVLL-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001197792126 1208196587 /nfs/dbraw/zinc/19/65/87/1208196587.db2.gz KIWRXTLAKCUVLL-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP CCc1ccccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826177 1208201488 /nfs/dbraw/zinc/20/14/88/1208201488.db2.gz PEFAFYHUPWWTIX-RTBURBONSA-N 2 1 363.502 0.531 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001198048413 1208213343 /nfs/dbraw/zinc/21/33/43/1208213343.db2.gz UCISPDSJCOWJIM-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001198048413 1208213345 /nfs/dbraw/zinc/21/33/45/1208213345.db2.gz UCISPDSJCOWJIM-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001198048413 1208213349 /nfs/dbraw/zinc/21/33/49/1208213349.db2.gz UCISPDSJCOWJIM-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001198048413 1208213351 /nfs/dbraw/zinc/21/33/51/1208213351.db2.gz UCISPDSJCOWJIM-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001198020939 1208215088 /nfs/dbraw/zinc/21/50/88/1208215088.db2.gz TXEORJUZXSVPOK-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001198020939 1208215090 /nfs/dbraw/zinc/21/50/90/1208215090.db2.gz TXEORJUZXSVPOK-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001198020939 1208215093 /nfs/dbraw/zinc/21/50/93/1208215093.db2.gz TXEORJUZXSVPOK-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001198020939 1208215096 /nfs/dbraw/zinc/21/50/96/1208215096.db2.gz TXEORJUZXSVPOK-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001198029158 1208215522 /nfs/dbraw/zinc/21/55/22/1208215522.db2.gz OUQBABBHHQRFOA-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001198029158 1208215524 /nfs/dbraw/zinc/21/55/24/1208215524.db2.gz OUQBABBHHQRFOA-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001198029158 1208215525 /nfs/dbraw/zinc/21/55/25/1208215525.db2.gz OUQBABBHHQRFOA-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001198029158 1208215527 /nfs/dbraw/zinc/21/55/27/1208215527.db2.gz OUQBABBHHQRFOA-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028873 1208215631 /nfs/dbraw/zinc/21/56/31/1208215631.db2.gz KRTZUZJXDCYPIF-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028873 1208215634 /nfs/dbraw/zinc/21/56/34/1208215634.db2.gz KRTZUZJXDCYPIF-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028873 1208215637 /nfs/dbraw/zinc/21/56/37/1208215637.db2.gz KRTZUZJXDCYPIF-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001198028873 1208215638 /nfs/dbraw/zinc/21/56/38/1208215638.db2.gz KRTZUZJXDCYPIF-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699352 1208278971 /nfs/dbraw/zinc/27/89/71/1208278971.db2.gz OFTOYBQRMIWKKK-BHIYHBOVSA-N 2 1 361.486 0.625 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729384 1208284251 /nfs/dbraw/zinc/28/42/51/1208284251.db2.gz MSDYFEFKGBSIKJ-QZTJIDSGSA-N 2 1 363.506 0.390 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)c1 ZINC001199004383 1208311704 /nfs/dbraw/zinc/31/17/04/1208311704.db2.gz PCJLBBJMWKTDAO-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)c1 ZINC001199004383 1208311707 /nfs/dbraw/zinc/31/17/07/1208311707.db2.gz PCJLBBJMWKTDAO-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199071120 1208315813 /nfs/dbraw/zinc/31/58/13/1208315813.db2.gz JFTJZHNKZVNTGW-HZPDHXFCSA-N 2 1 365.478 0.348 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199071120 1208315820 /nfs/dbraw/zinc/31/58/20/1208315820.db2.gz JFTJZHNKZVNTGW-HZPDHXFCSA-N 2 1 365.478 0.348 20 0 FCADMP CN(C)[C@@H](C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O)c1ccccc1 ZINC001199119380 1208322128 /nfs/dbraw/zinc/32/21/28/1208322128.db2.gz CCYFWYGBCFBOBG-GUDVDZBRSA-N 2 1 371.485 0.427 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC001199349416 1208339159 /nfs/dbraw/zinc/33/91/59/1208339159.db2.gz HHHREDHUGCDZBB-CRAIPNDOSA-N 2 1 362.474 0.957 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cn1 ZINC000776070271 1208394763 /nfs/dbraw/zinc/39/47/63/1208394763.db2.gz USDDSDKFNWGROY-UHFFFAOYSA-N 2 1 354.414 0.892 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cn1 ZINC000776070271 1208394766 /nfs/dbraw/zinc/39/47/66/1208394766.db2.gz USDDSDKFNWGROY-UHFFFAOYSA-N 2 1 354.414 0.892 20 0 FCADMP C[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001691705694 1208437937 /nfs/dbraw/zinc/43/79/37/1208437937.db2.gz AMFQHMDKDCEINK-ZVDSWSACSA-N 2 1 359.536 0.492 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001488829634 1208556052 /nfs/dbraw/zinc/55/60/52/1208556052.db2.gz YPTWIDTXKWJVLF-AIEDFZFUSA-N 2 1 367.494 0.045 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001488829635 1208556433 /nfs/dbraw/zinc/55/64/33/1208556433.db2.gz YPTWIDTXKWJVLF-KJWHEZOQSA-N 2 1 367.494 0.045 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220829508 1225093157 /nfs/dbraw/zinc/09/31/57/1225093157.db2.gz VOTWXRQVKZXGRQ-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220829508 1225093163 /nfs/dbraw/zinc/09/31/63/1225093163.db2.gz VOTWXRQVKZXGRQ-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220829233 1225094524 /nfs/dbraw/zinc/09/45/24/1225094524.db2.gz OUQBABBHHQRFOA-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220829233 1225094530 /nfs/dbraw/zinc/09/45/30/1225094530.db2.gz OUQBABBHHQRFOA-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220829233 1225094538 /nfs/dbraw/zinc/09/45/38/1225094538.db2.gz OUQBABBHHQRFOA-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220829233 1225094546 /nfs/dbraw/zinc/09/45/46/1225094546.db2.gz OUQBABBHHQRFOA-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001489589838 1209009550 /nfs/dbraw/zinc/00/95/50/1209009550.db2.gz ILVWECZNNRCZIO-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001489698141 1209093076 /nfs/dbraw/zinc/09/30/76/1209093076.db2.gz COHSCTQANVVIHO-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001489698141 1209093077 /nfs/dbraw/zinc/09/30/77/1209093077.db2.gz COHSCTQANVVIHO-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000852184611 1209535890 /nfs/dbraw/zinc/53/58/90/1209535890.db2.gz NDEOOFQVIBNXPV-NRFANRHFSA-N 2 1 374.529 0.852 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000852749368 1209562370 /nfs/dbraw/zinc/56/23/70/1209562370.db2.gz LIUIULDLRUREOP-GVDBMIGSSA-N 2 1 366.506 0.997 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1 ZINC001110666317 1209592693 /nfs/dbraw/zinc/59/26/93/1209592693.db2.gz HFIKMDJLXTXUMY-ZJPYXAASSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1 ZINC001110666317 1209592698 /nfs/dbraw/zinc/59/26/98/1209592698.db2.gz HFIKMDJLXTXUMY-ZJPYXAASSA-N 2 1 360.506 0.957 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cncn3C1)C2)C1CC1 ZINC001110741245 1209780366 /nfs/dbraw/zinc/78/03/66/1209780366.db2.gz XINSBXJODDBASZ-IDCNUPLLSA-N 2 1 371.485 0.693 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cncn3C1)C2)C1CC1 ZINC001110741245 1209780375 /nfs/dbraw/zinc/78/03/75/1209780375.db2.gz XINSBXJODDBASZ-IDCNUPLLSA-N 2 1 371.485 0.693 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cc[nH+]cc1 ZINC001110747614 1209790373 /nfs/dbraw/zinc/79/03/73/1209790373.db2.gz VKAMLZPWQMKTNI-KURKYZTESA-N 2 1 362.474 0.638 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683828 1209874230 /nfs/dbraw/zinc/87/42/30/1209874230.db2.gz BDKPTBRHEQJOAA-MJGOQNOKSA-N 2 1 362.474 0.253 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000861756850 1209880198 /nfs/dbraw/zinc/88/01/98/1209880198.db2.gz BNELHWBCPDAUME-HZPDHXFCSA-N 2 1 361.490 0.119 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986007 1225174913 /nfs/dbraw/zinc/17/49/13/1225174913.db2.gz OFTOYBQRMIWKKK-UHOSZYNNSA-N 2 1 361.486 0.625 20 0 FCADMP NC(=O)c1ccc(CC[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665747 1210001059 /nfs/dbraw/zinc/00/10/59/1210001059.db2.gz GECVQAQCNQPANM-MSOLQXFVSA-N 2 1 371.485 0.548 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868228851 1210045142 /nfs/dbraw/zinc/04/51/42/1210045142.db2.gz IJCZFAJRMRKDFR-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375730 1210056517 /nfs/dbraw/zinc/05/65/17/1210056517.db2.gz VRPYBTMXWOBKQB-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375730 1210056521 /nfs/dbraw/zinc/05/65/21/1210056521.db2.gz VRPYBTMXWOBKQB-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375730 1210056526 /nfs/dbraw/zinc/05/65/26/1210056526.db2.gz VRPYBTMXWOBKQB-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994109 1225179044 /nfs/dbraw/zinc/17/90/44/1225179044.db2.gz BYPVHZSFVOXIGP-IKGGRYGDSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994109 1225179046 /nfs/dbraw/zinc/17/90/46/1225179046.db2.gz BYPVHZSFVOXIGP-IKGGRYGDSA-N 2 1 368.522 0.458 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000888680437 1210393752 /nfs/dbraw/zinc/39/37/52/1210393752.db2.gz KOBNEDHHRCSADS-YOEHRIQHSA-N 2 1 359.474 0.935 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000888680437 1210393753 /nfs/dbraw/zinc/39/37/53/1210393753.db2.gz KOBNEDHHRCSADS-YOEHRIQHSA-N 2 1 359.474 0.935 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073105 1225209291 /nfs/dbraw/zinc/20/92/91/1225209291.db2.gz GIVXYUBZADWQGW-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073105 1225209294 /nfs/dbraw/zinc/20/92/94/1225209294.db2.gz GIVXYUBZADWQGW-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221073462 1225211220 /nfs/dbraw/zinc/21/12/20/1225211220.db2.gz XMYJSYNKECYPDQ-QYZOEREBSA-N 2 1 367.534 0.965 20 0 FCADMP CCOC(=O)c1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000881297648 1210582206 /nfs/dbraw/zinc/58/22/06/1210582206.db2.gz NLDWXKGFLVMDCQ-UHFFFAOYSA-N 2 1 358.446 0.864 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@](O)(C(=O)OC)C3)CC2)CC1 ZINC000882857550 1210639669 /nfs/dbraw/zinc/63/96/69/1210639669.db2.gz LXSSXYSODUGROW-IBGZPJMESA-N 2 1 367.490 0.319 20 0 FCADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883333037 1210662078 /nfs/dbraw/zinc/66/20/78/1210662078.db2.gz JXJHHJCULSCSNH-GOSISDBHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000883458001 1210669306 /nfs/dbraw/zinc/66/93/06/1210669306.db2.gz UJERAEPGJXGZIG-JKSUJKDBSA-N 2 1 365.522 0.985 20 0 FCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883608729 1210674443 /nfs/dbraw/zinc/67/44/43/1210674443.db2.gz GEAQCPJIKIUBIV-ZQIUZPCESA-N 2 1 359.474 0.761 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883608985 1210674517 /nfs/dbraw/zinc/67/45/17/1210674517.db2.gz LSFTYZRWDHGTJZ-WMLDXEAASA-N 2 1 359.474 0.763 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000883647297 1210678671 /nfs/dbraw/zinc/67/86/71/1210678671.db2.gz QDWCJAQWRHJDPJ-KRWDZBQOSA-N 2 1 362.474 0.578 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000883655054 1210681347 /nfs/dbraw/zinc/68/13/47/1210681347.db2.gz UJNNYFUGDGCNNH-UHFFFAOYSA-N 2 1 368.522 0.676 20 0 FCADMP CC(C)[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000884183096 1210720547 /nfs/dbraw/zinc/72/05/47/1210720547.db2.gz CEOFRQUPERTBBO-KRWDZBQOSA-N 2 1 361.490 0.578 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000884227436 1210724803 /nfs/dbraw/zinc/72/48/03/1210724803.db2.gz PTJXEOOGIDMUCZ-INIZCTEOSA-N 2 1 359.474 0.286 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CCOC)cc2)CC1 ZINC000884230824 1210725002 /nfs/dbraw/zinc/72/50/02/1210725002.db2.gz AVWINZNHRRZLOL-QGZVFWFLSA-N 2 1 362.474 0.696 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884235587 1210725634 /nfs/dbraw/zinc/72/56/34/1210725634.db2.gz ZANOGYQRZIYUHO-KRWDZBQOSA-N 2 1 374.533 0.495 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252134 1210726433 /nfs/dbraw/zinc/72/64/33/1210726433.db2.gz BXZXHAVIGLLMQP-OAHLLOKOSA-N 2 1 360.458 0.321 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884503661 1210740224 /nfs/dbraw/zinc/74/02/24/1210740224.db2.gz PXYVNTMACFVMFI-RBUKOAKNSA-N 2 1 372.513 0.878 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884514069 1210743062 /nfs/dbraw/zinc/74/30/62/1210743062.db2.gz YVRPWQBMXRNTMH-NXHRZFHOSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884532729 1210745457 /nfs/dbraw/zinc/74/54/57/1210745457.db2.gz PBVIWWKIPDCNRY-ATLSCFEFSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000884553609 1210749125 /nfs/dbraw/zinc/74/91/25/1210749125.db2.gz CQIBPKSHKGAIFW-DJIMGWMZSA-N 2 1 358.486 0.804 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CC[NH2+]C1 ZINC000884557303 1210749776 /nfs/dbraw/zinc/74/97/76/1210749776.db2.gz LUSHIYKGBILPFG-HNNXBMFYSA-N 2 1 356.430 0.402 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000884560210 1210752236 /nfs/dbraw/zinc/75/22/36/1210752236.db2.gz QPZPBEQIBBOEAE-KHYOSLBOSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572259 1210754745 /nfs/dbraw/zinc/75/47/45/1210754745.db2.gz JOOJOUISWVLCSW-UBDQQSCGSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577153 1210755881 /nfs/dbraw/zinc/75/58/81/1210755881.db2.gz YPFZELMUCIIFAZ-JKSUJKDBSA-N 2 1 366.506 0.109 20 0 FCADMP CCN(C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884578028 1210755947 /nfs/dbraw/zinc/75/59/47/1210755947.db2.gz RCDJEAWUXBQDAS-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884601916 1210759790 /nfs/dbraw/zinc/75/97/90/1210759790.db2.gz YWSZYOVQYZHLKN-KURKYZTESA-N 2 1 356.470 0.588 20 0 FCADMP [NH3+][C@@H](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000884627634 1210767141 /nfs/dbraw/zinc/76/71/41/1210767141.db2.gz WSENSWGJCJELCI-SJORKVTESA-N 2 1 358.486 0.663 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000884641066 1210770393 /nfs/dbraw/zinc/77/03/93/1210770393.db2.gz ZFJMLMJSCKNDSD-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000884650304 1210772378 /nfs/dbraw/zinc/77/23/78/1210772378.db2.gz FGLBXXKOWPEQNP-KRWDZBQOSA-N 2 1 362.474 0.626 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000884661732 1210773917 /nfs/dbraw/zinc/77/39/17/1210773917.db2.gz ZHUKOGLKFIMDGZ-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884669792 1210775998 /nfs/dbraw/zinc/77/59/98/1210775998.db2.gz HAPREJGXKATXAT-HRCADAONSA-N 2 1 364.490 0.004 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675062 1210776646 /nfs/dbraw/zinc/77/66/46/1210776646.db2.gz QSUXYHHDGALLGK-APWZRJJASA-N 2 1 372.513 0.987 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675063 1210777166 /nfs/dbraw/zinc/77/71/66/1210777166.db2.gz QSUXYHHDGALLGK-LPHOPBHVSA-N 2 1 372.513 0.987 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678814 1210779146 /nfs/dbraw/zinc/77/91/46/1210779146.db2.gz MWUXVEVUWMTVCA-ZTFGCOKTSA-N 2 1 358.486 0.724 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000884775670 1210793413 /nfs/dbraw/zinc/79/34/13/1210793413.db2.gz IMENAZFCHSWTIN-GBESFXJTSA-N 2 1 370.497 0.950 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000884790007 1210795854 /nfs/dbraw/zinc/79/58/54/1210795854.db2.gz GRUXWHJBKVVURR-GNZRSQJKSA-N 2 1 356.470 0.554 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)cc1 ZINC000884819631 1210799043 /nfs/dbraw/zinc/79/90/43/1210799043.db2.gz HULVSQOGDWDURR-JQHSSLGASA-N 2 1 358.486 0.942 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884823959 1210799967 /nfs/dbraw/zinc/79/99/67/1210799967.db2.gz MDJPRVUCLUBFBK-GDAAHCPNSA-N 2 1 370.497 0.834 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839052 1210800676 /nfs/dbraw/zinc/80/06/76/1210800676.db2.gz WCMCBGPXUVETQB-OAHLLOKOSA-N 2 1 358.486 0.797 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884886696 1210802963 /nfs/dbraw/zinc/80/29/63/1210802963.db2.gz ONQRCIVICDIWCO-MSOLQXFVSA-N 2 1 360.502 0.863 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884983356 1210806935 /nfs/dbraw/zinc/80/69/35/1210806935.db2.gz JBAJPOFLGVQQMV-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884983356 1210806938 /nfs/dbraw/zinc/80/69/38/1210806938.db2.gz JBAJPOFLGVQQMV-CGTJXYLNSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000885018255 1210809013 /nfs/dbraw/zinc/80/90/13/1210809013.db2.gz LGYZUORMBGRJPA-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000885018255 1210809014 /nfs/dbraw/zinc/80/90/14/1210809014.db2.gz LGYZUORMBGRJPA-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143725 1210812105 /nfs/dbraw/zinc/81/21/05/1210812105.db2.gz MXOPLXHZUXAAPI-JKSUJKDBSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143725 1210812108 /nfs/dbraw/zinc/81/21/08/1210812108.db2.gz MXOPLXHZUXAAPI-JKSUJKDBSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885154428 1210813719 /nfs/dbraw/zinc/81/37/19/1210813719.db2.gz WLMUQMCAPPJEQR-OLMNPRSZSA-N 2 1 358.486 0.616 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885275819 1210817203 /nfs/dbraw/zinc/81/72/03/1210817203.db2.gz JKEILVZCJLVIQS-OAHLLOKOSA-N 2 1 374.476 0.926 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691713673 1210841169 /nfs/dbraw/zinc/84/11/69/1210841169.db2.gz YPFAISKJRYCBFB-BHYGNILZSA-N 2 1 351.495 0.679 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC001691719348 1210843063 /nfs/dbraw/zinc/84/30/63/1210843063.db2.gz CTIOAOWYUNUKAP-INMHGKMJSA-N 2 1 357.495 0.074 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000890283997 1210853980 /nfs/dbraw/zinc/85/39/80/1210853980.db2.gz RYRJAVRFKWZKHA-YJBOKZPZSA-N 2 1 373.501 0.976 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090888 1210879011 /nfs/dbraw/zinc/87/90/11/1210879011.db2.gz LRTDUPUXWQPXTB-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889750721 1210947222 /nfs/dbraw/zinc/94/72/22/1210947222.db2.gz OBJDMPNSFAAIRF-MOPGFXCFSA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889750721 1210947227 /nfs/dbraw/zinc/94/72/27/1210947227.db2.gz OBJDMPNSFAAIRF-MOPGFXCFSA-N 2 1 366.550 0.850 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889750721 1210947232 /nfs/dbraw/zinc/94/72/32/1210947232.db2.gz OBJDMPNSFAAIRF-MOPGFXCFSA-N 2 1 366.550 0.850 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)n2)CC1 ZINC000889764799 1210948703 /nfs/dbraw/zinc/94/87/03/1210948703.db2.gz YKEJTLCODGQOEL-QZTJIDSGSA-N 2 1 373.501 0.505 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890135022 1210967962 /nfs/dbraw/zinc/96/79/62/1210967962.db2.gz XXTZNTYKQSNERZ-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCn4ccnc4)C[C@H]32)CC1 ZINC001274370334 1211038864 /nfs/dbraw/zinc/03/88/64/1211038864.db2.gz OZRRBESNVKRIRJ-ZWKOTPCHSA-N 2 1 360.506 0.053 20 0 FCADMP CN1CC[NH+](CCCC(=O)N2CC3(C2)CC[N@@H+](Cc2cn[nH]c2)C3)CC1 ZINC001274515414 1211071581 /nfs/dbraw/zinc/07/15/81/1211071581.db2.gz PPVKXHHRPLRIJY-UHFFFAOYSA-N 2 1 360.506 0.472 20 0 FCADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)n(C)n1 ZINC001274907963 1211141683 /nfs/dbraw/zinc/14/16/83/1211141683.db2.gz HLOUMKINTBSPBN-SGTLBZGDSA-N 2 1 361.490 0.405 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143381 1211179579 /nfs/dbraw/zinc/17/95/79/1211179579.db2.gz UGTVJWMYPGBHHC-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143381 1211179582 /nfs/dbraw/zinc/17/95/82/1211179582.db2.gz UGTVJWMYPGBHHC-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143381 1211179584 /nfs/dbraw/zinc/17/95/84/1211179584.db2.gz UGTVJWMYPGBHHC-UYAOXDASSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143371 1211179643 /nfs/dbraw/zinc/17/96/43/1211179643.db2.gz UGTVJWMYPGBHHC-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143371 1211179646 /nfs/dbraw/zinc/17/96/46/1211179646.db2.gz UGTVJWMYPGBHHC-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143371 1211179648 /nfs/dbraw/zinc/17/96/48/1211179648.db2.gz UGTVJWMYPGBHHC-ICSRJNTNSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](Cc1cn3c(n1)COCC3)CC2 ZINC001275148461 1211180424 /nfs/dbraw/zinc/18/04/24/1211180424.db2.gz LTFQOUWLOVTTOE-MRXNPFEDSA-N 2 1 361.490 0.693 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275171680 1211187987 /nfs/dbraw/zinc/18/79/87/1211187987.db2.gz MPXZKGBKCZRWAF-QGZVFWFLSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275171680 1211187988 /nfs/dbraw/zinc/18/79/88/1211187988.db2.gz MPXZKGBKCZRWAF-QGZVFWFLSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275171680 1211187989 /nfs/dbraw/zinc/18/79/89/1211187989.db2.gz MPXZKGBKCZRWAF-QGZVFWFLSA-N 2 1 360.506 0.470 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343756 1211219451 /nfs/dbraw/zinc/21/94/51/1211219451.db2.gz SEDUHXVMCCQWOR-LPHOPBHVSA-N 2 1 366.506 0.430 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343756 1211219454 /nfs/dbraw/zinc/21/94/54/1211219454.db2.gz SEDUHXVMCCQWOR-LPHOPBHVSA-N 2 1 366.506 0.430 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCCN(Cc3cnc(C)n3C)C2)C1=O ZINC001275392936 1211230087 /nfs/dbraw/zinc/23/00/87/1211230087.db2.gz WNLPFTOHMKDYHL-SFHVURJKSA-N 2 1 364.446 0.690 20 0 FCADMP COC(C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1)OC ZINC001275493383 1211250727 /nfs/dbraw/zinc/25/07/27/1211250727.db2.gz JVORWTLEZBPPOB-LJQANCHMSA-N 2 1 368.522 0.167 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507988 1211252068 /nfs/dbraw/zinc/25/20/68/1211252068.db2.gz NDYWXSNEFGARTR-DNVCBOLYSA-N 2 1 368.522 0.389 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507988 1211252071 /nfs/dbraw/zinc/25/20/71/1211252071.db2.gz NDYWXSNEFGARTR-DNVCBOLYSA-N 2 1 368.522 0.389 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511564 1211252285 /nfs/dbraw/zinc/25/22/85/1211252285.db2.gz KGAUJLFQSVXCMC-LJQANCHMSA-N 2 1 368.522 0.402 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511564 1211252287 /nfs/dbraw/zinc/25/22/87/1211252287.db2.gz KGAUJLFQSVXCMC-LJQANCHMSA-N 2 1 368.522 0.402 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511559 1211252551 /nfs/dbraw/zinc/25/25/51/1211252551.db2.gz KFOSWKRMJHULFP-IBGZPJMESA-N 2 1 363.506 0.811 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511559 1211252554 /nfs/dbraw/zinc/25/25/54/1211252554.db2.gz KFOSWKRMJHULFP-IBGZPJMESA-N 2 1 363.506 0.811 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507973 1211252643 /nfs/dbraw/zinc/25/26/43/1211252643.db2.gz MXIFMTDAOKNFMF-KXBFYZLASA-N 2 1 369.506 0.687 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507973 1211252647 /nfs/dbraw/zinc/25/26/47/1211252647.db2.gz MXIFMTDAOKNFMF-KXBFYZLASA-N 2 1 369.506 0.687 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510900 1211252940 /nfs/dbraw/zinc/25/29/40/1211252940.db2.gz BDSOBQUQPMSWNN-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510900 1211252941 /nfs/dbraw/zinc/25/29/41/1211252941.db2.gz BDSOBQUQPMSWNN-KXBFYZLASA-N 2 1 366.506 0.156 20 0 FCADMP Cc1cc(CN2CC3(C[NH+](CC4CC[NH+](C)CC4)C3)OCC2=O)n(C)n1 ZINC001275554689 1211255356 /nfs/dbraw/zinc/25/53/56/1211255356.db2.gz DQCLCIBJODKTRG-UHFFFAOYSA-N 2 1 361.490 0.484 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[N@H+](CC4CC[NH+](C)CC4)C3)OCC2=O)n1 ZINC001275555426 1211255681 /nfs/dbraw/zinc/25/56/81/1211255681.db2.gz AUSGXNONNZMQME-GOSISDBHSA-N 2 1 363.462 0.523 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556647 1211256575 /nfs/dbraw/zinc/25/65/75/1211256575.db2.gz NHIZKKUAZVAWBV-IBGZPJMESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)CC1 ZINC001275557318 1211257110 /nfs/dbraw/zinc/25/71/10/1211257110.db2.gz XHCATKYUFXOBTQ-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CC(C)(C)C(=O)OCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736851 1211278747 /nfs/dbraw/zinc/27/87/47/1211278747.db2.gz HXGFMQABQPJLFU-IBGZPJMESA-N 2 1 367.490 0.836 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738286 1211279399 /nfs/dbraw/zinc/27/93/99/1211279399.db2.gz XUFQENHZXDZELN-IBGZPJMESA-N 2 1 366.506 0.062 20 0 FCADMP O=C1COC2(C[NH+](CC3CC[NH2+]CC3)C2)CN1CCc1ccc(O)cc1 ZINC001275737893 1211279428 /nfs/dbraw/zinc/27/94/28/1211279428.db2.gz QXHNGGXNHLGSMB-UHFFFAOYSA-N 2 1 359.470 0.848 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750732 1211281129 /nfs/dbraw/zinc/28/11/29/1211281129.db2.gz PLXZNERLXDLOKD-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC2(CC[NH+](CCn3ccnc3)C2)CC1 ZINC001275801675 1211286407 /nfs/dbraw/zinc/28/64/07/1211286407.db2.gz TYSUCZKZHATXIG-KRWDZBQOSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001275801675 1211286411 /nfs/dbraw/zinc/28/64/11/1211286411.db2.gz TYSUCZKZHATXIG-KRWDZBQOSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275801675 1211286412 /nfs/dbraw/zinc/28/64/12/1211286412.db2.gz TYSUCZKZHATXIG-KRWDZBQOSA-N 2 1 361.490 0.264 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803605 1211287440 /nfs/dbraw/zinc/28/74/40/1211287440.db2.gz KOVIMYBZSTVQED-AZUAARDMSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803605 1211287443 /nfs/dbraw/zinc/28/74/43/1211287443.db2.gz KOVIMYBZSTVQED-AZUAARDMSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3C[C@@H]3CCCO3)C2=O)CC1 ZINC001275803605 1211287445 /nfs/dbraw/zinc/28/74/45/1211287445.db2.gz KOVIMYBZSTVQED-AZUAARDMSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833721 1211293665 /nfs/dbraw/zinc/29/36/65/1211293665.db2.gz OXAAOOKAJXMKHI-FQEVSTJZSA-N 3 1 366.550 0.831 20 0 FCADMP Cn1cnnc1CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001275877356 1211302964 /nfs/dbraw/zinc/30/29/64/1211302964.db2.gz AMRKHZZVJYIOMH-CVEARBPZSA-N 2 1 360.506 0.875 20 0 FCADMP Cn1cnnc1CNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001275877364 1211302996 /nfs/dbraw/zinc/30/29/96/1211302996.db2.gz AMRKHZZVJYIOMH-JKSUJKDBSA-N 2 1 360.506 0.875 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877479 1211303129 /nfs/dbraw/zinc/30/31/29/1211303129.db2.gz CDHWUJNTVBPJRO-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCN(C[C@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878357 1211303365 /nfs/dbraw/zinc/30/33/65/1211303365.db2.gz KHPRBZSKTAHLQX-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H]3C(=O)NC[C@@H]3CCC(=O)N3)CC2)C1 ZINC001275881344 1211305093 /nfs/dbraw/zinc/30/50/93/1211305093.db2.gz ZDEWWEFCKUTTIS-ULQDDVLXSA-N 2 1 362.518 0.825 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881250 1211305147 /nfs/dbraw/zinc/30/51/47/1211305147.db2.gz YKVXRCDGTUPYCQ-LPHOPBHVSA-N 2 1 366.506 0.286 20 0 FCADMP CN1CCC[C@@H](C[N@H+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878651 1211306162 /nfs/dbraw/zinc/30/61/62/1211306162.db2.gz MJHFBSGXJHMTOH-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878651 1211306165 /nfs/dbraw/zinc/30/61/65/1211306165.db2.gz MJHFBSGXJHMTOH-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878651 1211306169 /nfs/dbraw/zinc/30/61/69/1211306169.db2.gz MJHFBSGXJHMTOH-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]23CCN(CCN2CCOCC2)C3=O)C1 ZINC001275878651 1211306170 /nfs/dbraw/zinc/30/61/70/1211306170.db2.gz MJHFBSGXJHMTOH-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095431841 1211335090 /nfs/dbraw/zinc/33/50/90/1211335090.db2.gz JVPYOQPWCXDDAI-BVUBDWEXSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095431841 1211335094 /nfs/dbraw/zinc/33/50/94/1211335094.db2.gz JVPYOQPWCXDDAI-BVUBDWEXSA-N 2 1 362.478 0.044 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095498819 1211378133 /nfs/dbraw/zinc/37/81/33/1211378133.db2.gz FVTSWKYXWCDVOB-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095498819 1211378135 /nfs/dbraw/zinc/37/81/35/1211378135.db2.gz FVTSWKYXWCDVOB-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001095498819 1211378136 /nfs/dbraw/zinc/37/81/36/1211378136.db2.gz FVTSWKYXWCDVOB-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001095498819 1211378138 /nfs/dbraw/zinc/37/81/38/1211378138.db2.gz FVTSWKYXWCDVOB-LTIDMASMSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccnc4[nH]ccc43)C2)OCC1=O ZINC001276218199 1211383195 /nfs/dbraw/zinc/38/31/95/1211383195.db2.gz KJSUDTRTLXPRJY-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000545881568 1211425894 /nfs/dbraw/zinc/42/58/94/1211425894.db2.gz IXZWJUSANUNORT-FQEVSTJZSA-N 2 1 374.485 0.794 20 0 FCADMP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684607 1211447176 /nfs/dbraw/zinc/44/71/76/1211447176.db2.gz NLOQKMMTWHZTDR-QZWWFDLISA-N 2 1 360.502 0.957 20 0 FCADMP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684607 1211447180 /nfs/dbraw/zinc/44/71/80/1211447180.db2.gz NLOQKMMTWHZTDR-QZWWFDLISA-N 2 1 360.502 0.957 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC000946978962 1211464366 /nfs/dbraw/zinc/46/43/66/1211464366.db2.gz DNZWXFOQVVFACC-OWCLPIDISA-N 2 1 363.462 0.169 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634466 1211475687 /nfs/dbraw/zinc/47/56/87/1211475687.db2.gz NZLWSBPEHCJKBL-DLBZAZTESA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634466 1211475688 /nfs/dbraw/zinc/47/56/88/1211475688.db2.gz NZLWSBPEHCJKBL-DLBZAZTESA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777557 1211480554 /nfs/dbraw/zinc/48/05/54/1211480554.db2.gz QLUCUVCFYZMIBK-IAGOWNOFSA-N 2 1 360.458 0.760 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777561 1211480733 /nfs/dbraw/zinc/48/07/33/1211480733.db2.gz QLUCUVCFYZMIBK-SJORKVTESA-N 2 1 360.458 0.760 20 0 FCADMP CN1CC[NH+](Cc2ccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)cc2)CC1 ZINC000925276643 1211494834 /nfs/dbraw/zinc/49/48/34/1211494834.db2.gz PQUVXYCDMITQII-QGZVFWFLSA-N 2 1 359.474 0.416 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925407531 1211499655 /nfs/dbraw/zinc/49/96/55/1211499655.db2.gz FEPQQOALKRKEOI-SJORKVTESA-N 2 1 361.490 0.279 20 0 FCADMP C(C[N@@H+]1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768333 1211508060 /nfs/dbraw/zinc/50/80/60/1211508060.db2.gz JOUHUBZNSWRZHB-LWYYNNOASA-N 2 1 366.550 0.530 20 0 FCADMP C(C[N@H+]1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768333 1211508063 /nfs/dbraw/zinc/50/80/63/1211508063.db2.gz JOUHUBZNSWRZHB-LWYYNNOASA-N 2 1 366.550 0.530 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CN3CC[NH+](CC)CC3)C2)[C@H]1C(C)C ZINC000926254497 1211523550 /nfs/dbraw/zinc/52/35/50/1211523550.db2.gz UIXJBCSODIQVSP-LFGUQSLTSA-N 2 1 366.550 0.610 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000928559677 1211605021 /nfs/dbraw/zinc/60/50/21/1211605021.db2.gz MEWXWKWBKWOTRG-HDICACEKSA-N 2 1 358.486 0.412 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000928559677 1211605025 /nfs/dbraw/zinc/60/50/25/1211605025.db2.gz MEWXWKWBKWOTRG-HDICACEKSA-N 2 1 358.486 0.412 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000928559677 1211605029 /nfs/dbraw/zinc/60/50/29/1211605029.db2.gz MEWXWKWBKWOTRG-HDICACEKSA-N 2 1 358.486 0.412 20 0 FCADMP Cc1c(C(=O)NC[C@H]2CC[N@H+]2C)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000928563962 1211605215 /nfs/dbraw/zinc/60/52/15/1211605215.db2.gz RTYNUUPUJKQCMC-OAHLLOKOSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000928563962 1211605217 /nfs/dbraw/zinc/60/52/17/1211605217.db2.gz RTYNUUPUJKQCMC-OAHLLOKOSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1c(C(=O)NC[C@H]2CC[NH+]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000928563962 1211605221 /nfs/dbraw/zinc/60/52/21/1211605221.db2.gz RTYNUUPUJKQCMC-OAHLLOKOSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1c(C(=O)NC[C@H]2CC[NH+]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000928563962 1211605225 /nfs/dbraw/zinc/60/52/25/1211605225.db2.gz RTYNUUPUJKQCMC-OAHLLOKOSA-N 2 1 354.458 0.998 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000929229723 1211623906 /nfs/dbraw/zinc/62/39/06/1211623906.db2.gz NELRLFLPSHPQAN-MRXNPFEDSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000929229723 1211623910 /nfs/dbraw/zinc/62/39/10/1211623910.db2.gz NELRLFLPSHPQAN-MRXNPFEDSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000929229723 1211623913 /nfs/dbraw/zinc/62/39/13/1211623913.db2.gz NELRLFLPSHPQAN-MRXNPFEDSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221356748 1225303151 /nfs/dbraw/zinc/30/31/51/1225303151.db2.gz CYHOJOXQTAARFA-HRCADAONSA-N 2 1 370.538 0.728 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000929645521 1211652643 /nfs/dbraw/zinc/65/26/43/1211652643.db2.gz JHYDOTJDFTUITJ-UHFFFAOYSA-N 2 1 363.462 0.145 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929804761 1211662406 /nfs/dbraw/zinc/66/24/06/1211662406.db2.gz OXYNTBYPKUSHEV-QGZVFWFLSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929804761 1211662409 /nfs/dbraw/zinc/66/24/09/1211662409.db2.gz OXYNTBYPKUSHEV-QGZVFWFLSA-N 2 1 360.506 0.978 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000929947080 1211673622 /nfs/dbraw/zinc/67/36/22/1211673622.db2.gz GNUUJFIZSRIBKN-UHFFFAOYSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431586 1211755278 /nfs/dbraw/zinc/75/52/78/1211755278.db2.gz BCMWVQKMUICMEV-IXDOHACOSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431586 1211755281 /nfs/dbraw/zinc/75/52/81/1211755281.db2.gz BCMWVQKMUICMEV-IXDOHACOSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431586 1211755285 /nfs/dbraw/zinc/75/52/85/1211755285.db2.gz BCMWVQKMUICMEV-IXDOHACOSA-N 2 1 374.485 0.836 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931611566 1211763513 /nfs/dbraw/zinc/76/35/13/1211763513.db2.gz BNRSHXRNUTXITI-QGZVFWFLSA-N 2 1 361.490 0.953 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931611566 1211763515 /nfs/dbraw/zinc/76/35/15/1211763515.db2.gz BNRSHXRNUTXITI-QGZVFWFLSA-N 2 1 361.490 0.953 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000931879483 1211778132 /nfs/dbraw/zinc/77/81/32/1211778132.db2.gz YQDWBGQOIQICKI-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000931879483 1211778135 /nfs/dbraw/zinc/77/81/35/1211778135.db2.gz YQDWBGQOIQICKI-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879483 1211778142 /nfs/dbraw/zinc/77/81/42/1211778142.db2.gz YQDWBGQOIQICKI-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879483 1211778145 /nfs/dbraw/zinc/77/81/45/1211778145.db2.gz YQDWBGQOIQICKI-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000931887910 1211780236 /nfs/dbraw/zinc/78/02/36/1211780236.db2.gz YSQUOARCQKGXPX-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000931887910 1211780242 /nfs/dbraw/zinc/78/02/42/1211780242.db2.gz YSQUOARCQKGXPX-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000931887910 1211780245 /nfs/dbraw/zinc/78/02/45/1211780245.db2.gz YSQUOARCQKGXPX-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000931887910 1211780247 /nfs/dbraw/zinc/78/02/47/1211780247.db2.gz YSQUOARCQKGXPX-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021285 1211788441 /nfs/dbraw/zinc/78/84/41/1211788441.db2.gz RGPDZPYKUPDZQR-DDBAPUKQSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021285 1211788445 /nfs/dbraw/zinc/78/84/45/1211788445.db2.gz RGPDZPYKUPDZQR-DDBAPUKQSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021285 1211788452 /nfs/dbraw/zinc/78/84/52/1211788452.db2.gz RGPDZPYKUPDZQR-DDBAPUKQSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000932819382 1211823575 /nfs/dbraw/zinc/82/35/75/1211823575.db2.gz VODXWAQNEUMWFU-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000932819382 1211823577 /nfs/dbraw/zinc/82/35/77/1211823577.db2.gz VODXWAQNEUMWFU-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001111233624 1211936386 /nfs/dbraw/zinc/93/63/86/1211936386.db2.gz SGPPQZKZWKWIJH-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001111233624 1211936391 /nfs/dbraw/zinc/93/63/91/1211936391.db2.gz SGPPQZKZWKWIJH-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001111233624 1211936394 /nfs/dbraw/zinc/93/63/94/1211936394.db2.gz SGPPQZKZWKWIJH-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001095784553 1211999950 /nfs/dbraw/zinc/99/99/50/1211999950.db2.gz YLVBCBCKKRCUMA-IBTBTWTJSA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001095784553 1211999962 /nfs/dbraw/zinc/99/99/62/1211999962.db2.gz YLVBCBCKKRCUMA-IBTBTWTJSA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001095784553 1211999971 /nfs/dbraw/zinc/99/99/71/1211999971.db2.gz YLVBCBCKKRCUMA-IBTBTWTJSA-N 2 1 371.485 0.468 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417553 1212171541 /nfs/dbraw/zinc/17/15/41/1212171541.db2.gz FDKJJIBAKCVWSQ-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417553 1212171545 /nfs/dbraw/zinc/17/15/45/1212171545.db2.gz FDKJJIBAKCVWSQ-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417553 1212171549 /nfs/dbraw/zinc/17/15/49/1212171549.db2.gz FDKJJIBAKCVWSQ-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000948417553 1212171554 /nfs/dbraw/zinc/17/15/54/1212171554.db2.gz FDKJJIBAKCVWSQ-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948970572 1212270171 /nfs/dbraw/zinc/27/01/71/1212270171.db2.gz XYDSZERUNLTBCN-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948970572 1212270174 /nfs/dbraw/zinc/27/01/74/1212270174.db2.gz XYDSZERUNLTBCN-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000949185328 1212317457 /nfs/dbraw/zinc/31/74/57/1212317457.db2.gz ZIZGKGIDYZLFKR-UKPHBRMFSA-N 2 1 355.442 0.863 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001221560819 1225366318 /nfs/dbraw/zinc/36/63/18/1225366318.db2.gz JJYZADDXSPRXLM-VDHUWJSZSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001221560819 1225366322 /nfs/dbraw/zinc/36/63/22/1225366322.db2.gz JJYZADDXSPRXLM-VDHUWJSZSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[NH+]1C ZINC001221560819 1225366325 /nfs/dbraw/zinc/36/63/25/1225366325.db2.gz JJYZADDXSPRXLM-VDHUWJSZSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[NH+]1C ZINC001221560819 1225366327 /nfs/dbraw/zinc/36/63/27/1225366327.db2.gz JJYZADDXSPRXLM-VDHUWJSZSA-N 2 1 362.518 0.728 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949838922 1212469693 /nfs/dbraw/zinc/46/96/93/1212469693.db2.gz VUSBNCUWFCFSRN-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001111303860 1212518265 /nfs/dbraw/zinc/51/82/65/1212518265.db2.gz DCBMGAAXLQLMCI-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001111303860 1212518267 /nfs/dbraw/zinc/51/82/67/1212518267.db2.gz DCBMGAAXLQLMCI-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001111303860 1212518270 /nfs/dbraw/zinc/51/82/70/1212518270.db2.gz DCBMGAAXLQLMCI-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001111303860 1212518274 /nfs/dbraw/zinc/51/82/74/1212518274.db2.gz DCBMGAAXLQLMCI-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000950390217 1212566119 /nfs/dbraw/zinc/56/61/19/1212566119.db2.gz QFAPNAGIVBWRKK-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000950390217 1212566123 /nfs/dbraw/zinc/56/61/23/1212566123.db2.gz QFAPNAGIVBWRKK-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000950390217 1212566130 /nfs/dbraw/zinc/56/61/30/1212566130.db2.gz QFAPNAGIVBWRKK-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000950390217 1212566133 /nfs/dbraw/zinc/56/61/33/1212566133.db2.gz QFAPNAGIVBWRKK-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001007855014 1212593078 /nfs/dbraw/zinc/59/30/78/1212593078.db2.gz DPXUQJPKRGMTJF-WOYCLPQFSA-N 2 1 374.529 0.920 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595093 1225387164 /nfs/dbraw/zinc/38/71/64/1225387164.db2.gz SAOVPSGYJUFHEW-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595093 1225387169 /nfs/dbraw/zinc/38/71/69/1225387169.db2.gz SAOVPSGYJUFHEW-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595093 1225387176 /nfs/dbraw/zinc/38/71/76/1225387176.db2.gz SAOVPSGYJUFHEW-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221595093 1225387183 /nfs/dbraw/zinc/38/71/83/1225387183.db2.gz SAOVPSGYJUFHEW-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616769 1225400421 /nfs/dbraw/zinc/40/04/21/1225400421.db2.gz UKZXZPPZKYAAGX-KZNAEPCWSA-N 2 1 363.506 0.773 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001221616769 1225400425 /nfs/dbraw/zinc/40/04/25/1225400425.db2.gz UKZXZPPZKYAAGX-KZNAEPCWSA-N 2 1 363.506 0.773 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C ZINC001111408411 1212993861 /nfs/dbraw/zinc/99/38/61/1212993861.db2.gz XDEUKDNJUJEJOQ-TVFCKZIOSA-N 2 1 364.490 0.947 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(C)C ZINC001111408411 1212993865 /nfs/dbraw/zinc/99/38/65/1212993865.db2.gz XDEUKDNJUJEJOQ-TVFCKZIOSA-N 2 1 364.490 0.947 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000954047438 1213035176 /nfs/dbraw/zinc/03/51/76/1213035176.db2.gz BTZLEYRSLMOGKA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000954047438 1213035180 /nfs/dbraw/zinc/03/51/80/1213035180.db2.gz BTZLEYRSLMOGKA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000954047438 1213035182 /nfs/dbraw/zinc/03/51/82/1213035182.db2.gz BTZLEYRSLMOGKA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000954047438 1213035185 /nfs/dbraw/zinc/03/51/85/1213035185.db2.gz BTZLEYRSLMOGKA-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642602 1225414291 /nfs/dbraw/zinc/41/42/91/1225414291.db2.gz AIZXSUGPVLWOSZ-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642602 1225414293 /nfs/dbraw/zinc/41/42/93/1225414293.db2.gz AIZXSUGPVLWOSZ-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221657081 1225421011 /nfs/dbraw/zinc/42/10/11/1225421011.db2.gz JCAPNRSFLNUQEN-BRWVUGGUSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221657081 1225421015 /nfs/dbraw/zinc/42/10/15/1225421015.db2.gz JCAPNRSFLNUQEN-BRWVUGGUSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221657081 1225421019 /nfs/dbraw/zinc/42/10/19/1225421019.db2.gz JCAPNRSFLNUQEN-BRWVUGGUSA-N 2 1 371.522 0.273 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000954409835 1213071008 /nfs/dbraw/zinc/07/10/08/1213071008.db2.gz QXMMDRQLWKEWMC-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000954422226 1213074176 /nfs/dbraw/zinc/07/41/76/1213074176.db2.gz IYEDIGMHYHHHGM-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000954422226 1213074182 /nfs/dbraw/zinc/07/41/82/1213074182.db2.gz IYEDIGMHYHHHGM-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954422226 1213074186 /nfs/dbraw/zinc/07/41/86/1213074186.db2.gz IYEDIGMHYHHHGM-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954422226 1213074190 /nfs/dbraw/zinc/07/41/90/1213074190.db2.gz IYEDIGMHYHHHGM-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](CC(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)n1ccnc1 ZINC000954649769 1213098849 /nfs/dbraw/zinc/09/88/49/1213098849.db2.gz WHOXBTQVYVPCOW-IIAWOOMASA-N 2 1 363.462 0.223 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000956064345 1213168301 /nfs/dbraw/zinc/16/83/01/1213168301.db2.gz NJNWMHKNORQZQW-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000956064345 1213168302 /nfs/dbraw/zinc/16/83/02/1213168302.db2.gz NJNWMHKNORQZQW-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)O1 ZINC000956064345 1213168304 /nfs/dbraw/zinc/16/83/04/1213168304.db2.gz NJNWMHKNORQZQW-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)O1 ZINC000956064345 1213168307 /nfs/dbraw/zinc/16/83/07/1213168307.db2.gz NJNWMHKNORQZQW-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000956429521 1213195276 /nfs/dbraw/zinc/19/52/76/1213195276.db2.gz VFXQEYHVWVMWRN-HZPDHXFCSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799309 1213216018 /nfs/dbraw/zinc/21/60/18/1213216018.db2.gz TXPARWNYYWLVDR-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641799309 1213216021 /nfs/dbraw/zinc/21/60/21/1213216021.db2.gz TXPARWNYYWLVDR-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641799309 1213216026 /nfs/dbraw/zinc/21/60/26/1213216026.db2.gz TXPARWNYYWLVDR-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000641801213 1213216058 /nfs/dbraw/zinc/21/60/58/1213216058.db2.gz BBVSLJFBJCIXDL-MOPGFXCFSA-N 2 1 372.513 0.981 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000957162496 1213271197 /nfs/dbraw/zinc/27/11/97/1213271197.db2.gz CVXAOCDHCGRWKQ-IIDMSEBBSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000957162496 1213271201 /nfs/dbraw/zinc/27/12/01/1213271201.db2.gz CVXAOCDHCGRWKQ-IIDMSEBBSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001221771608 1225475923 /nfs/dbraw/zinc/47/59/23/1225475923.db2.gz DCPOUSQZWZVCNC-OWCLPIDISA-N 2 1 358.490 0.640 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773037 1225477005 /nfs/dbraw/zinc/47/70/05/1225477005.db2.gz VZTZOSPFGPYHSK-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773037 1225477013 /nfs/dbraw/zinc/47/70/13/1225477013.db2.gz VZTZOSPFGPYHSK-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc5n(n4)CCC5)C[C@H]32)O1 ZINC000960531908 1213807708 /nfs/dbraw/zinc/80/77/08/1213807708.db2.gz XYCDXYSABLTNIV-CUWKQTPXSA-N 2 1 359.474 0.095 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)CC[N@H+]1C ZINC001011208216 1213848217 /nfs/dbraw/zinc/84/82/17/1213848217.db2.gz NOBLOLWESGCMNT-GDBMZVCRSA-N 2 1 362.474 0.966 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209280 1213850103 /nfs/dbraw/zinc/85/01/03/1213850103.db2.gz SJRBGQBCDZNTSU-ZACQAIPSSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011209280 1213850106 /nfs/dbraw/zinc/85/01/06/1213850106.db2.gz SJRBGQBCDZNTSU-ZACQAIPSSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011209280 1213850109 /nfs/dbraw/zinc/85/01/09/1213850109.db2.gz SJRBGQBCDZNTSU-ZACQAIPSSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011209280 1213850113 /nfs/dbraw/zinc/85/01/13/1213850113.db2.gz SJRBGQBCDZNTSU-ZACQAIPSSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)ncn1 ZINC000960718589 1213906468 /nfs/dbraw/zinc/90/64/68/1213906468.db2.gz OEHIXEMGOMQQAW-KBAYOESNSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)ncn1 ZINC000960718589 1213906476 /nfs/dbraw/zinc/90/64/76/1213906476.db2.gz OEHIXEMGOMQQAW-KBAYOESNSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001014484267 1213966971 /nfs/dbraw/zinc/96/69/71/1213966971.db2.gz QVMONBVPTDERAK-RBSFLKMASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001014484267 1213966975 /nfs/dbraw/zinc/96/69/75/1213966975.db2.gz QVMONBVPTDERAK-RBSFLKMASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)C2)CC[NH+]1C ZINC001014484267 1213966979 /nfs/dbraw/zinc/96/69/79/1213966979.db2.gz QVMONBVPTDERAK-RBSFLKMASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCc3nnn(C(C)(C)C)n3)C2)CC[NH+]1C ZINC001014484267 1213966983 /nfs/dbraw/zinc/96/69/83/1213966983.db2.gz QVMONBVPTDERAK-RBSFLKMASA-N 2 1 363.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC001016633775 1214024684 /nfs/dbraw/zinc/02/46/84/1214024684.db2.gz XTXKNRBKPYRETL-OAGGEKHMSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N(C)C2CC2)CC3)CC[N@H+]1C ZINC001016631739 1214025111 /nfs/dbraw/zinc/02/51/11/1214025111.db2.gz CMNWXUIPZDRBFW-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001018867427 1214167014 /nfs/dbraw/zinc/16/70/14/1214167014.db2.gz NGGWYEMLDPOCEE-QLFBSQMISA-N 2 1 363.510 0.501 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419429386 1214181060 /nfs/dbraw/zinc/18/10/60/1214181060.db2.gz UPHMGGLQPXQZPF-OAQYLSRUSA-N 2 1 370.497 0.906 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C24CC[NH+](CC2)C4)C3)CC[N@H+]1C ZINC001019070499 1214190610 /nfs/dbraw/zinc/19/06/10/1214190610.db2.gz QALNBYQOBKWXOO-HZPDHXFCSA-N 2 1 360.502 0.483 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419505989 1214204348 /nfs/dbraw/zinc/20/43/48/1214204348.db2.gz LEPFSVYIGNSNGG-GHTZIAJQSA-N 2 1 370.497 0.979 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]cn4)C3)C2)C1 ZINC001019149019 1214207266 /nfs/dbraw/zinc/20/72/66/1214207266.db2.gz JSDLFIRKRGLXCS-RBSFLKMASA-N 2 1 357.458 0.526 20 0 FCADMP CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2)[NH+](C)C ZINC001019150790 1214208750 /nfs/dbraw/zinc/20/87/50/1214208750.db2.gz VIUUOZHYOFABQZ-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2)[NH+](C)C ZINC001019150790 1214208754 /nfs/dbraw/zinc/20/87/54/1214208754.db2.gz VIUUOZHYOFABQZ-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCCC[NH+]4C)C3)C2)CC[N@H+]1C ZINC001019169109 1214211599 /nfs/dbraw/zinc/21/15/99/1214211599.db2.gz IUNAVRVANKVBSA-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCCC[N@@H+]4C)C3)C2)CC[NH+]1C ZINC001019169109 1214211605 /nfs/dbraw/zinc/21/16/05/1214211605.db2.gz IUNAVRVANKVBSA-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCCC[N@H+]4C)C3)C2)CC[NH+]1C ZINC001019169109 1214211612 /nfs/dbraw/zinc/21/16/12/1214211612.db2.gz IUNAVRVANKVBSA-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419537669 1214216178 /nfs/dbraw/zinc/21/61/78/1214216178.db2.gz VYODGMHGCSUNIC-MMOPVJDHSA-N 2 1 370.497 0.978 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961605098 1214241959 /nfs/dbraw/zinc/24/19/59/1214241959.db2.gz NGLJCFWGAOXLLF-MXASKKJJSA-N 2 1 359.474 0.449 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961605098 1214241964 /nfs/dbraw/zinc/24/19/64/1214241964.db2.gz NGLJCFWGAOXLLF-MXASKKJJSA-N 2 1 359.474 0.449 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001020286670 1214327389 /nfs/dbraw/zinc/32/73/89/1214327389.db2.gz IRABFPZHDURCKB-OXGONZEZSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001020286670 1214327396 /nfs/dbraw/zinc/32/73/96/1214327396.db2.gz IRABFPZHDURCKB-OXGONZEZSA-N 2 1 366.506 0.342 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001020287675 1214329881 /nfs/dbraw/zinc/32/98/81/1214329881.db2.gz GHEHMGBJCSDAOQ-QBPKDAKJSA-N 2 1 366.506 0.201 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001020287675 1214329887 /nfs/dbraw/zinc/32/98/87/1214329887.db2.gz GHEHMGBJCSDAOQ-QBPKDAKJSA-N 2 1 366.506 0.201 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719410 1214367382 /nfs/dbraw/zinc/36/73/82/1214367382.db2.gz ZXEKGAAJOPNHCG-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719410 1214367393 /nfs/dbraw/zinc/36/73/93/1214367393.db2.gz ZXEKGAAJOPNHCG-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719410 1214367398 /nfs/dbraw/zinc/36/73/98/1214367398.db2.gz ZXEKGAAJOPNHCG-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719410 1214367405 /nfs/dbraw/zinc/36/74/05/1214367405.db2.gz ZXEKGAAJOPNHCG-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001039865904 1214451166 /nfs/dbraw/zinc/45/11/66/1214451166.db2.gz UVKUNOACDRKXET-FCEWJHQRSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001039865904 1214451169 /nfs/dbraw/zinc/45/11/69/1214451169.db2.gz UVKUNOACDRKXET-FCEWJHQRSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001039865904 1214451172 /nfs/dbraw/zinc/45/11/72/1214451172.db2.gz UVKUNOACDRKXET-FCEWJHQRSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001040103667 1214467742 /nfs/dbraw/zinc/46/77/42/1214467742.db2.gz BYFICUGKAJGQEA-FCEWJHQRSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001040103667 1214467746 /nfs/dbraw/zinc/46/77/46/1214467746.db2.gz BYFICUGKAJGQEA-FCEWJHQRSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001040103667 1214467750 /nfs/dbraw/zinc/46/77/50/1214467750.db2.gz BYFICUGKAJGQEA-FCEWJHQRSA-N 2 1 368.522 0.137 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919395 1225535184 /nfs/dbraw/zinc/53/51/84/1225535184.db2.gz MKISFLBPKRJPBX-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919395 1225535188 /nfs/dbraw/zinc/53/51/88/1225535188.db2.gz MKISFLBPKRJPBX-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919395 1225535191 /nfs/dbraw/zinc/53/51/91/1225535191.db2.gz MKISFLBPKRJPBX-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919395 1225535193 /nfs/dbraw/zinc/53/51/93/1225535193.db2.gz MKISFLBPKRJPBX-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cnn(C)n2)CC3)CC[N@@H+]1C ZINC001040707973 1214570151 /nfs/dbraw/zinc/57/01/51/1214570151.db2.gz NFHHGXCWWSSLOI-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cnn(C)n2)CC3)CC[N@H+]1C ZINC001040707973 1214570157 /nfs/dbraw/zinc/57/01/57/1214570157.db2.gz NFHHGXCWWSSLOI-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NC2CC2)CC3)CC[N@H+]1C ZINC001040708232 1214570854 /nfs/dbraw/zinc/57/08/54/1214570854.db2.gz RUEGBBCHQYYPAB-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001221946941 1225546416 /nfs/dbraw/zinc/54/64/16/1225546416.db2.gz KCODJVQCJCTEPJ-KBAYOESNSA-N 2 1 364.490 0.529 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc(C)[nH+]1 ZINC001041182903 1214738481 /nfs/dbraw/zinc/73/84/81/1214738481.db2.gz NRQQQZYRBRDNRO-BRWVUGGUSA-N 2 1 359.474 0.355 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC000963153947 1214752493 /nfs/dbraw/zinc/75/24/93/1214752493.db2.gz NKQADTXTMAKAHX-LVQVYYBASA-N 2 1 359.474 0.884 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949546 1225547685 /nfs/dbraw/zinc/54/76/85/1225547685.db2.gz BGCANQJRSYATRB-ARFHVFGLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949546 1225547687 /nfs/dbraw/zinc/54/76/87/1225547687.db2.gz BGCANQJRSYATRB-ARFHVFGLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ccn(C)n3)CC2)O1 ZINC000963551359 1214820344 /nfs/dbraw/zinc/82/03/44/1214820344.db2.gz LFRLNTASDBETKQ-VSVYTNTFSA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ccn(C)n3)CC2)O1 ZINC000963551359 1214820345 /nfs/dbraw/zinc/82/03/45/1214820345.db2.gz LFRLNTASDBETKQ-VSVYTNTFSA-N 2 1 363.506 0.998 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221969011 1225556206 /nfs/dbraw/zinc/55/62/06/1225556206.db2.gz LZNBJHBAICEKCL-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221969011 1225556209 /nfs/dbraw/zinc/55/62/09/1225556209.db2.gz LZNBJHBAICEKCL-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221969011 1225556214 /nfs/dbraw/zinc/55/62/14/1225556214.db2.gz LZNBJHBAICEKCL-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221969011 1225556217 /nfs/dbraw/zinc/55/62/17/1225556217.db2.gz LZNBJHBAICEKCL-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968736 1225556464 /nfs/dbraw/zinc/55/64/64/1225556464.db2.gz XYFPQLNHEUIRGO-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968736 1225556468 /nfs/dbraw/zinc/55/64/68/1225556468.db2.gz XYFPQLNHEUIRGO-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968736 1225556472 /nfs/dbraw/zinc/55/64/72/1225556472.db2.gz XYFPQLNHEUIRGO-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221968736 1225556476 /nfs/dbraw/zinc/55/64/76/1225556476.db2.gz XYFPQLNHEUIRGO-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968096512 1215285405 /nfs/dbraw/zinc/28/54/05/1215285405.db2.gz MMESPRYMTLXTEH-OIISXLGYSA-N 2 1 368.522 0.351 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968096512 1215285408 /nfs/dbraw/zinc/28/54/08/1215285408.db2.gz MMESPRYMTLXTEH-OIISXLGYSA-N 2 1 368.522 0.351 20 0 FCADMP O=C1C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)CC2(CC[NH2+]CC2)N1 ZINC001222515428 1225629587 /nfs/dbraw/zinc/62/95/87/1225629587.db2.gz QWUSZYSNDJOQOU-UHFFFAOYSA-N 3 1 357.502 0.146 20 0 FCADMP O=C1C[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)CC2(CC[NH2+]CC2)N1 ZINC001222515428 1225629589 /nfs/dbraw/zinc/62/95/89/1225629589.db2.gz QWUSZYSNDJOQOU-UHFFFAOYSA-N 3 1 357.502 0.146 20 0 FCADMP c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)cnc12 ZINC001222502061 1225629592 /nfs/dbraw/zinc/62/95/92/1225629592.db2.gz FFXRGBHEYWITAZ-HKUYNNGSSA-N 3 1 369.517 0.722 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001098013216 1215924167 /nfs/dbraw/zinc/92/41/67/1215924167.db2.gz BNHKBWPSMYZYSV-WCXIOVBPSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001098013216 1215924173 /nfs/dbraw/zinc/92/41/73/1215924173.db2.gz BNHKBWPSMYZYSV-WCXIOVBPSA-N 2 1 374.489 0.011 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)cn1 ZINC001098013622 1215925140 /nfs/dbraw/zinc/92/51/40/1215925140.db2.gz XZYKPWHXOKKDDN-ZACQAIPSSA-N 2 1 372.477 0.072 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055957080 1215926732 /nfs/dbraw/zinc/92/67/32/1215926732.db2.gz YGHWPJLJCJCLOX-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C3CC[NH+](CC(=O)N(C)C)CC3)CC2)O1 ZINC001000187480 1216019028 /nfs/dbraw/zinc/01/90/28/1216019028.db2.gz ICXQTXCAQWYUFF-GDBMZVCRSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C3CC[NH+](CC(=O)N(C)C)CC3)CC2)O1 ZINC001000187480 1216019034 /nfs/dbraw/zinc/01/90/34/1216019034.db2.gz ICXQTXCAQWYUFF-GDBMZVCRSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001000477948 1216068607 /nfs/dbraw/zinc/06/86/07/1216068607.db2.gz SAJDKNQUJGYXNU-RANZSIQMSA-N 2 1 362.518 0.918 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001001532547 1216236859 /nfs/dbraw/zinc/23/68/59/1216236859.db2.gz NHFPQSPTNFGKFI-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001001532547 1216236869 /nfs/dbraw/zinc/23/68/69/1216236869.db2.gz NHFPQSPTNFGKFI-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)CCC1 ZINC001222892949 1225663487 /nfs/dbraw/zinc/66/34/87/1225663487.db2.gz VLMXHXUMNAPHLX-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)CCC1 ZINC001222892949 1225663489 /nfs/dbraw/zinc/66/34/89/1225663489.db2.gz VLMXHXUMNAPHLX-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050524605 1216331226 /nfs/dbraw/zinc/33/12/26/1216331226.db2.gz HWHORPWMEOZIAT-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222959332 1225669965 /nfs/dbraw/zinc/66/99/65/1225669965.db2.gz XBMBCXCWVXDDOT-KFWWJZLASA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccn3C(F)F)C2)CC[N@@H+]1C ZINC001051622197 1216468162 /nfs/dbraw/zinc/46/81/62/1216468162.db2.gz POSQZEPXHCSMTN-MGPQQGTHSA-N 2 1 371.432 0.935 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccn3C(F)F)C2)CC[N@H+]1C ZINC001051622197 1216468168 /nfs/dbraw/zinc/46/81/68/1216468168.db2.gz POSQZEPXHCSMTN-MGPQQGTHSA-N 2 1 371.432 0.935 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC001051625414 1216469958 /nfs/dbraw/zinc/46/99/58/1216469958.db2.gz ZYYDVJMYIURDHI-FHLIZLRMSA-N 2 1 361.490 0.487 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001052393784 1216546403 /nfs/dbraw/zinc/54/64/03/1216546403.db2.gz QMQAWAFPIHADNV-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC001052393784 1216546409 /nfs/dbraw/zinc/54/64/09/1216546409.db2.gz QMQAWAFPIHADNV-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC001052393784 1216546414 /nfs/dbraw/zinc/54/64/14/1216546414.db2.gz QMQAWAFPIHADNV-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001052393370 1216546793 /nfs/dbraw/zinc/54/67/93/1216546793.db2.gz IOHJJSQPUAMGCV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC001052393370 1216546802 /nfs/dbraw/zinc/54/68/02/1216546802.db2.gz IOHJJSQPUAMGCV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC001052393370 1216546809 /nfs/dbraw/zinc/54/68/09/1216546809.db2.gz IOHJJSQPUAMGCV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1ncc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489937 1216562534 /nfs/dbraw/zinc/56/25/34/1216562534.db2.gz RROKZVNLHMGZES-FHLIZLRMSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489937 1216562539 /nfs/dbraw/zinc/56/25/39/1216562539.db2.gz RROKZVNLHMGZES-FHLIZLRMSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489937 1216562546 /nfs/dbraw/zinc/56/25/46/1216562546.db2.gz RROKZVNLHMGZES-FHLIZLRMSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489937 1216562551 /nfs/dbraw/zinc/56/25/51/1216562551.db2.gz RROKZVNLHMGZES-FHLIZLRMSA-N 2 1 361.490 0.975 20 0 FCADMP Cn1c(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cccc1=O ZINC001276869175 1225687511 /nfs/dbraw/zinc/68/75/11/1225687511.db2.gz WCKTVEDNVQVKDE-IBGZPJMESA-N 2 1 360.458 0.288 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068401617 1216731574 /nfs/dbraw/zinc/73/15/74/1216731574.db2.gz OCYVOGXMHDKNMN-JKSUJKDBSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)CC[NH+](C)C)O3)CC[N@H+]1C ZINC001068624487 1216751332 /nfs/dbraw/zinc/75/13/32/1216751332.db2.gz PDMZQAGVEZGIMG-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc(N3CC[C@@H]([NH2+]CCO)C3)n2)CC[N@H+]1C ZINC001069838937 1216805246 /nfs/dbraw/zinc/80/52/46/1216805246.db2.gz MDKPHGOZRSIVOT-DJIMGWMZSA-N 2 1 361.490 0.199 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223379855 1225702546 /nfs/dbraw/zinc/70/25/46/1225702546.db2.gz YXEPVOZVSQUOOD-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046590 1216921388 /nfs/dbraw/zinc/92/13/88/1216921388.db2.gz FOJIKTFGLGCLRY-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046590 1216921392 /nfs/dbraw/zinc/92/13/92/1216921392.db2.gz FOJIKTFGLGCLRY-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046590 1216921394 /nfs/dbraw/zinc/92/13/94/1216921394.db2.gz FOJIKTFGLGCLRY-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046590 1216921398 /nfs/dbraw/zinc/92/13/98/1216921398.db2.gz FOJIKTFGLGCLRY-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046976 1216922202 /nfs/dbraw/zinc/92/22/02/1216922202.db2.gz ZDIYQBMGZGSUOA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046976 1216922208 /nfs/dbraw/zinc/92/22/08/1216922208.db2.gz ZDIYQBMGZGSUOA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046976 1216922211 /nfs/dbraw/zinc/92/22/11/1216922211.db2.gz ZDIYQBMGZGSUOA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046976 1216922214 /nfs/dbraw/zinc/92/22/14/1216922214.db2.gz ZDIYQBMGZGSUOA-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000804030804 1216931941 /nfs/dbraw/zinc/93/19/41/1216931941.db2.gz NMEFLMGYJFFIJR-UHFFFAOYSA-N 2 1 371.485 0.941 20 0 FCADMP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)CCO1 ZINC001223424928 1225706401 /nfs/dbraw/zinc/70/64/01/1225706401.db2.gz JXHABRQDQMTHCJ-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](CC)CC ZINC001223488902 1225709140 /nfs/dbraw/zinc/70/91/40/1225709140.db2.gz DSSKLRXGBRIHFU-ILXRZTDVSA-N 2 1 367.494 0.225 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](CC)CC ZINC001223488902 1225709145 /nfs/dbraw/zinc/70/91/45/1225709145.db2.gz DSSKLRXGBRIHFU-ILXRZTDVSA-N 2 1 367.494 0.225 20 0 FCADMP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H](C)C(C)=O)CC2 ZINC001276899435 1225715037 /nfs/dbraw/zinc/71/50/37/1225715037.db2.gz HRBWBYDIIWIXDH-HOCLYGCPSA-N 2 1 367.490 0.629 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846319 1225740411 /nfs/dbraw/zinc/74/04/11/1225740411.db2.gz DCVJBQFNWROGNA-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846319 1225740416 /nfs/dbraw/zinc/74/04/16/1225740416.db2.gz DCVJBQFNWROGNA-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223846319 1225740421 /nfs/dbraw/zinc/74/04/21/1225740421.db2.gz DCVJBQFNWROGNA-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223946779 1225748308 /nfs/dbraw/zinc/74/83/08/1225748308.db2.gz IVUGNBDLAAUIRN-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223946779 1225748309 /nfs/dbraw/zinc/74/83/09/1225748309.db2.gz IVUGNBDLAAUIRN-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939971 1225752187 /nfs/dbraw/zinc/75/21/87/1225752187.db2.gz LXGAWQDKKUXVTN-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939971 1225752195 /nfs/dbraw/zinc/75/21/95/1225752195.db2.gz LXGAWQDKKUXVTN-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939971 1225752199 /nfs/dbraw/zinc/75/21/99/1225752199.db2.gz LXGAWQDKKUXVTN-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130085 1225758147 /nfs/dbraw/zinc/75/81/47/1225758147.db2.gz NGVMELGOKXDLKN-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001095964740 1217789546 /nfs/dbraw/zinc/78/95/46/1217789546.db2.gz ABBWKILFCOVZKW-BDXSIMOUSA-N 2 1 361.490 0.307 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959471 1225768840 /nfs/dbraw/zinc/76/88/40/1225768840.db2.gz RGBWKVDQRHRVIZ-HXUWFJFHSA-N 2 1 366.550 0.709 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959471 1225768843 /nfs/dbraw/zinc/76/88/43/1225768843.db2.gz RGBWKVDQRHRVIZ-HXUWFJFHSA-N 2 1 366.550 0.709 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959471 1225768848 /nfs/dbraw/zinc/76/88/48/1225768848.db2.gz RGBWKVDQRHRVIZ-HXUWFJFHSA-N 2 1 366.550 0.709 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001044293950 1217831016 /nfs/dbraw/zinc/83/10/16/1217831016.db2.gz FEZTZUUZQLAWLB-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001044293950 1217831020 /nfs/dbraw/zinc/83/10/20/1217831020.db2.gz FEZTZUUZQLAWLB-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001044293950 1217831021 /nfs/dbraw/zinc/83/10/21/1217831021.db2.gz FEZTZUUZQLAWLB-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014555 1217915713 /nfs/dbraw/zinc/91/57/13/1217915713.db2.gz GXEPCMPJMOOVCZ-BGTYHANMSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014555 1217915719 /nfs/dbraw/zinc/91/57/19/1217915719.db2.gz GXEPCMPJMOOVCZ-BGTYHANMSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096014555 1217915725 /nfs/dbraw/zinc/91/57/25/1217915725.db2.gz GXEPCMPJMOOVCZ-BGTYHANMSA-N 2 1 358.486 0.949 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900191395 1217969528 /nfs/dbraw/zinc/96/95/28/1217969528.db2.gz PDJHRSKSBFKNHM-UHFFFAOYSA-N 2 1 364.494 0.165 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045947082 1217978646 /nfs/dbraw/zinc/97/86/46/1217978646.db2.gz ISQHVJMIPQQXBM-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001045947082 1217978654 /nfs/dbraw/zinc/97/86/54/1217978654.db2.gz ISQHVJMIPQQXBM-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001045947082 1217978657 /nfs/dbraw/zinc/97/86/57/1217978657.db2.gz ISQHVJMIPQQXBM-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001045947082 1217978662 /nfs/dbraw/zinc/97/86/62/1217978662.db2.gz ISQHVJMIPQQXBM-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000900696068 1218026082 /nfs/dbraw/zinc/02/60/82/1218026082.db2.gz YAOYYFSMSODJJA-UHFFFAOYSA-N 2 1 367.582 0.792 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418603 1218034873 /nfs/dbraw/zinc/03/48/73/1218034873.db2.gz TYPAEEFTDYQKFQ-LMMKCTJWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418603 1218034876 /nfs/dbraw/zinc/03/48/76/1218034876.db2.gz TYPAEEFTDYQKFQ-LMMKCTJWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418603 1218034880 /nfs/dbraw/zinc/03/48/80/1218034880.db2.gz TYPAEEFTDYQKFQ-LMMKCTJWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418603 1218034885 /nfs/dbraw/zinc/03/48/85/1218034885.db2.gz TYPAEEFTDYQKFQ-LMMKCTJWSA-N 2 1 363.506 0.800 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900922252 1218054932 /nfs/dbraw/zinc/05/49/32/1218054932.db2.gz OMMIJFBTWMPRJG-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001047384596 1218136160 /nfs/dbraw/zinc/13/61/60/1218136160.db2.gz BSRQNBFNNKVMFS-BGTYHANMSA-N 2 1 363.506 0.289 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001047384596 1218136162 /nfs/dbraw/zinc/13/61/62/1218136162.db2.gz BSRQNBFNNKVMFS-BGTYHANMSA-N 2 1 363.506 0.289 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001047384596 1218136165 /nfs/dbraw/zinc/13/61/65/1218136165.db2.gz BSRQNBFNNKVMFS-BGTYHANMSA-N 2 1 363.506 0.289 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001096355711 1218262530 /nfs/dbraw/zinc/26/25/30/1218262530.db2.gz BCGUENNJBFSSTG-IKGGRYGDSA-N 2 1 358.490 0.712 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538469 1218282843 /nfs/dbraw/zinc/28/28/43/1218282843.db2.gz WDVLGXMAYMHOFI-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538469 1218282852 /nfs/dbraw/zinc/28/28/52/1218282852.db2.gz WDVLGXMAYMHOFI-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538469 1218282858 /nfs/dbraw/zinc/28/28/58/1218282858.db2.gz WDVLGXMAYMHOFI-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048538469 1218282862 /nfs/dbraw/zinc/28/28/62/1218282862.db2.gz WDVLGXMAYMHOFI-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048538469 1218282869 /nfs/dbraw/zinc/28/28/69/1218282869.db2.gz WDVLGXMAYMHOFI-NWHWRWDZSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1c1ncnc2c1cnn2C ZINC001048706004 1218307619 /nfs/dbraw/zinc/30/76/19/1218307619.db2.gz DFHKTAFCRABGGP-LSDHHAIUSA-N 2 1 357.462 0.933 20 0 FCADMP COc1c(O)cccc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277041103 1225810385 /nfs/dbraw/zinc/81/03/85/1225810385.db2.gz FMRDPFMLCPCYPP-IBGZPJMESA-N 2 1 363.458 0.766 20 0 FCADMP COc1c(O)cccc1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277041103 1225810386 /nfs/dbraw/zinc/81/03/86/1225810386.db2.gz FMRDPFMLCPCYPP-IBGZPJMESA-N 2 1 363.458 0.766 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048827767 1218322383 /nfs/dbraw/zinc/32/23/83/1218322383.db2.gz FOEHVRNHSJNJBX-CIRFHOKZSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048827767 1218322389 /nfs/dbraw/zinc/32/23/89/1218322389.db2.gz FOEHVRNHSJNJBX-CIRFHOKZSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048827767 1218322397 /nfs/dbraw/zinc/32/23/97/1218322397.db2.gz FOEHVRNHSJNJBX-CIRFHOKZSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)c4nncn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829936 1218324377 /nfs/dbraw/zinc/32/43/77/1218324377.db2.gz FEXYLCNYYMJIAO-ZOFXXKQRSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)c4nncn4C)C[C@@H]3C2)CC[N@H+]1C ZINC001048829936 1218324386 /nfs/dbraw/zinc/32/43/86/1218324386.db2.gz FEXYLCNYYMJIAO-ZOFXXKQRSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)c4nncn4C)C[C@@H]3C2)CC[NH+]1C ZINC001048829936 1218324390 /nfs/dbraw/zinc/32/43/90/1218324390.db2.gz FEXYLCNYYMJIAO-ZOFXXKQRSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)c4nncn4C)C[C@@H]3C2)CC[NH+]1C ZINC001048829936 1218324393 /nfs/dbraw/zinc/32/43/93/1218324393.db2.gz FEXYLCNYYMJIAO-ZOFXXKQRSA-N 2 1 360.506 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048830418 1218325046 /nfs/dbraw/zinc/32/50/46/1218325046.db2.gz NMBYDBXOHLWRTA-OSBBLCOHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048830418 1218325051 /nfs/dbraw/zinc/32/50/51/1218325051.db2.gz NMBYDBXOHLWRTA-OSBBLCOHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048830418 1218325058 /nfs/dbraw/zinc/32/50/58/1218325058.db2.gz NMBYDBXOHLWRTA-OSBBLCOHSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]3C2)O1 ZINC001048890384 1218336420 /nfs/dbraw/zinc/33/64/20/1218336420.db2.gz GETIOKDXZYFJQY-XLMAVXFVSA-N 2 1 361.490 0.072 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]3C2)O1 ZINC001048890384 1218336427 /nfs/dbraw/zinc/33/64/27/1218336427.db2.gz GETIOKDXZYFJQY-XLMAVXFVSA-N 2 1 361.490 0.072 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]3C2)O1 ZINC001048890384 1218336435 /nfs/dbraw/zinc/33/64/35/1218336435.db2.gz GETIOKDXZYFJQY-XLMAVXFVSA-N 2 1 361.490 0.072 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]3C2)O1 ZINC001048890384 1218336441 /nfs/dbraw/zinc/33/64/41/1218336441.db2.gz GETIOKDXZYFJQY-XLMAVXFVSA-N 2 1 361.490 0.072 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)C1 ZINC001048890461 1218336493 /nfs/dbraw/zinc/33/64/93/1218336493.db2.gz ILQDTFWTVUEPEM-HUWXZWHESA-N 2 1 365.518 0.911 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)C1 ZINC001048890461 1218336499 /nfs/dbraw/zinc/33/64/99/1218336499.db2.gz ILQDTFWTVUEPEM-HUWXZWHESA-N 2 1 365.518 0.911 20 0 FCADMP CCOC1CC(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)C1 ZINC001048890461 1218336506 /nfs/dbraw/zinc/33/65/06/1218336506.db2.gz ILQDTFWTVUEPEM-HUWXZWHESA-N 2 1 365.518 0.911 20 0 FCADMP CCOC1CC(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)C1 ZINC001048890461 1218336509 /nfs/dbraw/zinc/33/65/09/1218336509.db2.gz ILQDTFWTVUEPEM-HUWXZWHESA-N 2 1 365.518 0.911 20 0 FCADMP Cn1nncc1C[N@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001277072031 1225823142 /nfs/dbraw/zinc/82/31/42/1225823142.db2.gz IVWBRBUNXMXGFG-GOSISDBHSA-N 2 1 357.462 0.916 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001096549484 1218478324 /nfs/dbraw/zinc/47/83/24/1218478324.db2.gz DXMISTAGXYDCNT-IKGGRYGDSA-N 2 1 355.442 0.812 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001096549484 1218478334 /nfs/dbraw/zinc/47/83/34/1218478334.db2.gz DXMISTAGXYDCNT-IKGGRYGDSA-N 2 1 355.442 0.812 20 0 FCADMP Cc1ncncc1C[N@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001277073012 1225824594 /nfs/dbraw/zinc/82/45/94/1225824594.db2.gz XLTBFKXLYCSYTH-SFHVURJKSA-N 2 1 356.430 0.485 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734079 1218511268 /nfs/dbraw/zinc/51/12/68/1218511268.db2.gz UUTXSDVNXZZXAO-GGPKGHCWSA-N 2 1 364.534 0.774 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@H]1CCC[NH2+]1 ZINC000903741744 1218512290 /nfs/dbraw/zinc/51/22/90/1218512290.db2.gz SIAIXYATZJTMGY-RCCFBDPRSA-N 3 1 364.534 0.725 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739986 1218512358 /nfs/dbraw/zinc/51/23/58/1218512358.db2.gz RCCJKFWFOKMCQX-QUCCMNQESA-N 3 1 364.534 0.631 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225960690 1225829669 /nfs/dbraw/zinc/82/96/69/1225829669.db2.gz GNAYOZHPCJTUCU-ZIAGYGMSSA-N 2 1 360.466 0.956 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001096584074 1218566203 /nfs/dbraw/zinc/56/62/03/1218566203.db2.gz UJMPZOKNDRUKGJ-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001096584074 1218566215 /nfs/dbraw/zinc/56/62/15/1218566215.db2.gz UJMPZOKNDRUKGJ-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)C1 ZINC001096584074 1218566223 /nfs/dbraw/zinc/56/62/23/1218566223.db2.gz UJMPZOKNDRUKGJ-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2cnn(C)c2)C1 ZINC001096584074 1218566234 /nfs/dbraw/zinc/56/62/34/1218566234.db2.gz UJMPZOKNDRUKGJ-OWSLCNJRSA-N 2 1 361.490 0.405 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001097779549 1218845237 /nfs/dbraw/zinc/84/52/37/1218845237.db2.gz QPGUYGDXJANVKR-VQHPVUNQSA-N 2 1 358.490 0.829 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)n1 ZINC001097774635 1218845265 /nfs/dbraw/zinc/84/52/65/1218845265.db2.gz ATFJOUVLBIPARI-KURKYZTESA-N 2 1 360.506 0.958 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@H+]1C ZINC001054134634 1218899163 /nfs/dbraw/zinc/89/91/63/1218899163.db2.gz JIMHYKISHAWYLV-ZHALLVOQSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001054134634 1218899164 /nfs/dbraw/zinc/89/91/64/1218899164.db2.gz JIMHYKISHAWYLV-ZHALLVOQSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001054134634 1218899165 /nfs/dbraw/zinc/89/91/65/1218899165.db2.gz JIMHYKISHAWYLV-ZHALLVOQSA-N 2 1 360.506 0.933 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001226773004 1225854349 /nfs/dbraw/zinc/85/43/49/1225854349.db2.gz BKCPCGBKAVZYMV-BRWVUGGUSA-N 2 1 366.506 0.393 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC001226799503 1225854523 /nfs/dbraw/zinc/85/45/23/1225854523.db2.gz AXGKKNGNONSSOQ-INMHGKMJSA-N 2 1 361.494 0.865 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831093 1225855498 /nfs/dbraw/zinc/85/54/98/1225855498.db2.gz OAMXPMUXUUDXTI-IAGOWNOFSA-N 2 1 368.522 0.640 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028976 1225861421 /nfs/dbraw/zinc/86/14/21/1225861421.db2.gz WCHLCQWPOHGMSP-QBPKDAKJSA-N 2 1 368.522 0.495 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028976 1225861423 /nfs/dbraw/zinc/86/14/23/1225861423.db2.gz WCHLCQWPOHGMSP-QBPKDAKJSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227029040 1225861492 /nfs/dbraw/zinc/86/14/92/1225861492.db2.gz YWXDFLLSVIDNPY-QBPKDAKJSA-N 2 1 368.522 0.591 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227029040 1225861493 /nfs/dbraw/zinc/86/14/93/1225861493.db2.gz YWXDFLLSVIDNPY-QBPKDAKJSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccc[nH]3)CC2)CC[N@H+]1C ZINC001055516252 1219063934 /nfs/dbraw/zinc/06/39/34/1219063934.db2.gz ZAQNLZLREPSLGO-GDBMZVCRSA-N 2 1 361.490 0.665 20 0 FCADMP CC[C@@H](OC)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055539317 1219072572 /nfs/dbraw/zinc/07/25/72/1219072572.db2.gz LHMRDXHVPHCZBZ-DJIMGWMZSA-N 2 1 368.522 0.448 20 0 FCADMP CCOCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583278 1219087768 /nfs/dbraw/zinc/08/77/68/1219087768.db2.gz HGAOVIDFJPPRDH-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)OCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583262 1219088110 /nfs/dbraw/zinc/08/81/10/1219088110.db2.gz GUPNYKVHBIEJLF-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001055583289 1219088451 /nfs/dbraw/zinc/08/84/51/1219088451.db2.gz HRXPCNJMINGXOA-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804058337 1219113078 /nfs/dbraw/zinc/11/30/78/1219113078.db2.gz ZVLLLJZMCCYPEQ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804058337 1219113080 /nfs/dbraw/zinc/11/30/80/1219113080.db2.gz ZVLLLJZMCCYPEQ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804058337 1219113082 /nfs/dbraw/zinc/11/30/82/1219113082.db2.gz ZVLLLJZMCCYPEQ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000804063080 1219117406 /nfs/dbraw/zinc/11/74/06/1219117406.db2.gz PBMAENNTNJHEJX-IXDOHACOSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000804063080 1219117410 /nfs/dbraw/zinc/11/74/10/1219117410.db2.gz PBMAENNTNJHEJX-IXDOHACOSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000804063080 1219117417 /nfs/dbraw/zinc/11/74/17/1219117417.db2.gz PBMAENNTNJHEJX-IXDOHACOSA-N 2 1 364.490 0.099 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096094 1219166559 /nfs/dbraw/zinc/16/65/59/1219166559.db2.gz HUEHLJDGXLTJRE-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096094 1219166564 /nfs/dbraw/zinc/16/65/64/1219166564.db2.gz HUEHLJDGXLTJRE-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096094 1219166567 /nfs/dbraw/zinc/16/65/67/1219166567.db2.gz HUEHLJDGXLTJRE-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096094 1219166570 /nfs/dbraw/zinc/16/65/70/1219166570.db2.gz HUEHLJDGXLTJRE-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097132 1219168004 /nfs/dbraw/zinc/16/80/04/1219168004.db2.gz DHOVFVJGDDBYIB-KSZLIROESA-N 2 1 354.458 0.772 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097132 1219168009 /nfs/dbraw/zinc/16/80/09/1219168009.db2.gz DHOVFVJGDDBYIB-KSZLIROESA-N 2 1 354.458 0.772 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097132 1219168015 /nfs/dbraw/zinc/16/80/15/1219168015.db2.gz DHOVFVJGDDBYIB-KSZLIROESA-N 2 1 354.458 0.772 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)ncn1 ZINC001070158504 1219245621 /nfs/dbraw/zinc/24/56/21/1219245621.db2.gz NHKZGHRNIZFHOF-ZACQAIPSSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)ncn1 ZINC001070158504 1219245625 /nfs/dbraw/zinc/24/56/25/1219245625.db2.gz NHKZGHRNIZFHOF-ZACQAIPSSA-N 2 1 370.461 0.012 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227543472 1225878307 /nfs/dbraw/zinc/87/83/07/1225878307.db2.gz JYMRXDLSNVVKFC-RRFJBIMHSA-N 2 1 361.490 0.913 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208970 1219294840 /nfs/dbraw/zinc/29/48/40/1219294840.db2.gz GZUCILFNZMBVQY-UAGQMJEPSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070208990 1219294886 /nfs/dbraw/zinc/29/48/86/1219294886.db2.gz HOMZJLYEVPAPGM-IKGGRYGDSA-N 2 1 362.478 0.283 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070275512 1219342450 /nfs/dbraw/zinc/34/24/50/1219342450.db2.gz PTGSWHDWCARGJV-NXHRZFHOSA-N 2 1 369.473 0.557 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070275382 1219342655 /nfs/dbraw/zinc/34/26/55/1219342655.db2.gz JPTFKXICWMLBGH-JQHSSLGASA-N 2 1 369.473 0.557 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070275382 1219342659 /nfs/dbraw/zinc/34/26/59/1219342659.db2.gz JPTFKXICWMLBGH-JQHSSLGASA-N 2 1 369.473 0.557 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277277 1219343733 /nfs/dbraw/zinc/34/37/33/1219343733.db2.gz LAAIPLCQPGWAMJ-IKGGRYGDSA-N 2 1 357.462 0.555 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070367341 1219399679 /nfs/dbraw/zinc/39/96/79/1219399679.db2.gz QKHDWXIWAOGVPL-NUJGCVRESA-N 2 1 368.497 0.916 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070378222 1219404852 /nfs/dbraw/zinc/40/48/52/1219404852.db2.gz GFPSKXWPGHTVFW-OGWOLHLISA-N 2 1 368.497 0.916 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001070411525 1219409974 /nfs/dbraw/zinc/40/99/74/1219409974.db2.gz QNAFURQVOHWREX-AEGPPILISA-N 2 1 362.478 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001070411525 1219409976 /nfs/dbraw/zinc/40/99/76/1219409976.db2.gz QNAFURQVOHWREX-AEGPPILISA-N 2 1 362.478 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001070411525 1219409979 /nfs/dbraw/zinc/40/99/79/1219409979.db2.gz QNAFURQVOHWREX-AEGPPILISA-N 2 1 362.478 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001070411525 1219409982 /nfs/dbraw/zinc/40/99/82/1219409982.db2.gz QNAFURQVOHWREX-AEGPPILISA-N 2 1 362.478 0.031 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070475220 1219425913 /nfs/dbraw/zinc/42/59/13/1219425913.db2.gz IXTRJOAJFLGOSX-CGTJXYLNSA-N 2 1 371.489 0.295 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2[NH2+]CCO)c1 ZINC001070500743 1219441636 /nfs/dbraw/zinc/44/16/36/1219441636.db2.gz FMJXSSHCKVPNAX-NUEKZKHPSA-N 2 1 358.446 0.071 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070566322 1219472895 /nfs/dbraw/zinc/47/28/95/1219472895.db2.gz KFHVDPSSNAZUEU-CGTJXYLNSA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070566322 1219472896 /nfs/dbraw/zinc/47/28/96/1219472896.db2.gz KFHVDPSSNAZUEU-CGTJXYLNSA-N 2 1 363.506 0.681 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070629703 1219494347 /nfs/dbraw/zinc/49/43/47/1219494347.db2.gz RWSUKENUPIUKBT-KURKYZTESA-N 2 1 368.485 0.994 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168157 1225898163 /nfs/dbraw/zinc/89/81/63/1225898163.db2.gz YJCBXQQMGYSJTK-ZACQAIPSSA-N 2 1 368.522 0.639 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228168157 1225898165 /nfs/dbraw/zinc/89/81/65/1225898165.db2.gz YJCBXQQMGYSJTK-ZACQAIPSSA-N 2 1 368.522 0.639 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070703738 1219532281 /nfs/dbraw/zinc/53/22/81/1219532281.db2.gz KFQOOTUOGBJIAO-IAGOWNOFSA-N 2 1 363.506 0.682 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CC1 ZINC001070703807 1219532568 /nfs/dbraw/zinc/53/25/68/1219532568.db2.gz NNPGHINZWMVQSV-IAGOWNOFSA-N 2 1 361.490 0.436 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001070922391 1219578876 /nfs/dbraw/zinc/57/88/76/1219578876.db2.gz JECDYTBMINIBAI-XHSDSOJGSA-N 2 1 362.474 0.597 20 0 FCADMP CC[C@@H](C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)OC ZINC001070964265 1219584774 /nfs/dbraw/zinc/58/47/74/1219584774.db2.gz ADMJJIOMAFAIKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)OC ZINC001070964265 1219584775 /nfs/dbraw/zinc/58/47/75/1219584775.db2.gz ADMJJIOMAFAIKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)OC ZINC001070964265 1219584777 /nfs/dbraw/zinc/58/47/77/1219584777.db2.gz ADMJJIOMAFAIKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)OC ZINC001070964265 1219584779 /nfs/dbraw/zinc/58/47/79/1219584779.db2.gz ADMJJIOMAFAIKG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCc4ncnn42)C3)CC[N@H+]1C ZINC001072752736 1219621587 /nfs/dbraw/zinc/62/15/87/1219621587.db2.gz ZBBJXWFRVDIEOL-BZUAXINKSA-N 2 1 358.490 0.640 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCc4ncnn42)C3)CC[NH+]1C ZINC001072752736 1219621589 /nfs/dbraw/zinc/62/15/89/1219621589.db2.gz ZBBJXWFRVDIEOL-BZUAXINKSA-N 2 1 358.490 0.640 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCc4ncnn42)C3)CC[NH+]1C ZINC001072752736 1219621591 /nfs/dbraw/zinc/62/15/91/1219621591.db2.gz ZBBJXWFRVDIEOL-BZUAXINKSA-N 2 1 358.490 0.640 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)CC[N@H+]1C ZINC001072755118 1219621596 /nfs/dbraw/zinc/62/15/96/1219621596.db2.gz UCHLKAIILYZUEP-RRFJBIMHSA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC001072755118 1219621597 /nfs/dbraw/zinc/62/15/97/1219621597.db2.gz UCHLKAIILYZUEP-RRFJBIMHSA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC001072755118 1219621600 /nfs/dbraw/zinc/62/16/00/1219621600.db2.gz UCHLKAIILYZUEP-RRFJBIMHSA-N 2 1 362.474 0.056 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005747 1219631773 /nfs/dbraw/zinc/63/17/73/1219631773.db2.gz CKYLNDVFFDAXAB-NXHRZFHOSA-N 2 1 370.497 0.740 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005747 1219631775 /nfs/dbraw/zinc/63/17/75/1219631775.db2.gz CKYLNDVFFDAXAB-NXHRZFHOSA-N 2 1 370.497 0.740 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005747 1219631777 /nfs/dbraw/zinc/63/17/77/1219631777.db2.gz CKYLNDVFFDAXAB-NXHRZFHOSA-N 2 1 370.497 0.740 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)O1 ZINC001073491212 1219664741 /nfs/dbraw/zinc/66/47/41/1219664741.db2.gz QZOJONUEBYIMJJ-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)O1 ZINC001073491212 1219664743 /nfs/dbraw/zinc/66/47/43/1219664743.db2.gz QZOJONUEBYIMJJ-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099029642 1219892255 /nfs/dbraw/zinc/89/22/55/1219892255.db2.gz HDSAFFZJHUJUSF-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)C1 ZINC001099029642 1219892258 /nfs/dbraw/zinc/89/22/58/1219892258.db2.gz HDSAFFZJHUJUSF-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)C1 ZINC001099029642 1219892263 /nfs/dbraw/zinc/89/22/63/1219892263.db2.gz HDSAFFZJHUJUSF-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099122461 1219921344 /nfs/dbraw/zinc/92/13/44/1219921344.db2.gz VBOSHLCZTQKLRT-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)C1 ZINC001099122461 1219921354 /nfs/dbraw/zinc/92/13/54/1219921354.db2.gz VBOSHLCZTQKLRT-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)C1 ZINC001099122461 1219921358 /nfs/dbraw/zinc/92/13/58/1219921358.db2.gz VBOSHLCZTQKLRT-BXWFABGCSA-N 2 1 363.506 0.324 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001099163244 1219937108 /nfs/dbraw/zinc/93/71/08/1219937108.db2.gz NQGQWMQNPNNDAJ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001099163244 1219937111 /nfs/dbraw/zinc/93/71/11/1219937111.db2.gz NQGQWMQNPNNDAJ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001099525854 1220023349 /nfs/dbraw/zinc/02/33/49/1220023349.db2.gz CQNLSTLIYXQIGP-VKJFTORMSA-N 2 1 361.494 0.270 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)n1 ZINC001099525854 1220023355 /nfs/dbraw/zinc/02/33/55/1220023355.db2.gz CQNLSTLIYXQIGP-VKJFTORMSA-N 2 1 361.494 0.270 20 0 FCADMP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099535650 1220026522 /nfs/dbraw/zinc/02/65/22/1220026522.db2.gz QTASZXANEFJFPR-GJYPPUQNSA-N 2 1 360.506 0.968 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240710 1220240386 /nfs/dbraw/zinc/24/03/86/1220240386.db2.gz FVDCIADPQUIWIT-HBFSDRIKSA-N 2 1 365.518 0.772 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257244 1220250289 /nfs/dbraw/zinc/25/02/89/1220250289.db2.gz LSLMBDDFXUPLFV-MDZRGWNJSA-N 2 1 370.513 0.925 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267590 1220256067 /nfs/dbraw/zinc/25/60/67/1220256067.db2.gz LOXCUSZWFVFNTN-HLIPFELVSA-N 2 1 362.518 0.633 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267452 1220256117 /nfs/dbraw/zinc/25/61/17/1220256117.db2.gz FVABSPAXSSUQPK-POAQFYNOSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286428 1220268343 /nfs/dbraw/zinc/26/83/43/1220268343.db2.gz XJAVYEBHJMQMQN-CLCXKQKWSA-N 2 1 359.474 0.562 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101287520 1220268997 /nfs/dbraw/zinc/26/89/97/1220268997.db2.gz QDYUOGBQFOMINP-HBFSDRIKSA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101287520 1220268998 /nfs/dbraw/zinc/26/89/98/1220268998.db2.gz QDYUOGBQFOMINP-HBFSDRIKSA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101287520 1220269000 /nfs/dbraw/zinc/26/90/00/1220269000.db2.gz QDYUOGBQFOMINP-HBFSDRIKSA-N 2 1 367.534 0.896 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336515 1220292507 /nfs/dbraw/zinc/29/25/07/1220292507.db2.gz GAMNVWQHRGVAAQ-GGPKGHCWSA-N 2 1 367.534 0.898 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336515 1220292510 /nfs/dbraw/zinc/29/25/10/1220292510.db2.gz GAMNVWQHRGVAAQ-GGPKGHCWSA-N 2 1 367.534 0.898 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336515 1220292511 /nfs/dbraw/zinc/29/25/11/1220292511.db2.gz GAMNVWQHRGVAAQ-GGPKGHCWSA-N 2 1 367.534 0.898 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342846 1220295209 /nfs/dbraw/zinc/29/52/09/1220295209.db2.gz PRGVDRRSZJNMMN-QAPCUYQASA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342846 1220295211 /nfs/dbraw/zinc/29/52/11/1220295211.db2.gz PRGVDRRSZJNMMN-QAPCUYQASA-N 2 1 360.506 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CC1 ZINC001101342591 1220295253 /nfs/dbraw/zinc/29/52/53/1220295253.db2.gz BVVSTORUSMCBIR-APWZRJJASA-N 2 1 362.518 0.635 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353127 1220298426 /nfs/dbraw/zinc/29/84/26/1220298426.db2.gz UKTYXQAUKFSJIE-FCEWJHQRSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363983 1220302949 /nfs/dbraw/zinc/30/29/49/1220302949.db2.gz JBWXHFZALAACGF-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101379059 1220309803 /nfs/dbraw/zinc/30/98/03/1220309803.db2.gz STXLQNDFRMLAPB-APWZRJJASA-N 2 1 364.490 0.796 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101379059 1220309809 /nfs/dbraw/zinc/30/98/09/1220309809.db2.gz STXLQNDFRMLAPB-APWZRJJASA-N 2 1 364.490 0.796 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CCOCC1CC1)C2 ZINC001101393976 1220319920 /nfs/dbraw/zinc/31/99/20/1220319920.db2.gz OEJSTMTWTTZJMW-QUCCMNQESA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CCOCC1CC1)C2 ZINC001101393976 1220319926 /nfs/dbraw/zinc/31/99/26/1220319926.db2.gz OEJSTMTWTTZJMW-QUCCMNQESA-N 2 1 365.518 0.916 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400329 1220323755 /nfs/dbraw/zinc/32/37/55/1220323755.db2.gz RGBRXQJAQPILIF-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228932575 1225963012 /nfs/dbraw/zinc/96/30/12/1225963012.db2.gz QKJBZKVUUOHRND-KFWWJZLASA-N 2 1 367.494 0.461 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815349 1220408452 /nfs/dbraw/zinc/40/84/52/1220408452.db2.gz CPYLEFLZMYDTOQ-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101815349 1220408455 /nfs/dbraw/zinc/40/84/55/1220408455.db2.gz CPYLEFLZMYDTOQ-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101815349 1220408459 /nfs/dbraw/zinc/40/84/59/1220408459.db2.gz CPYLEFLZMYDTOQ-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976356 1220449315 /nfs/dbraw/zinc/44/93/15/1220449315.db2.gz ZQFOLADOTGYLQC-KBAYOESNSA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974901 1220449780 /nfs/dbraw/zinc/44/97/80/1220449780.db2.gz VUHGMUVFNUSWHM-ZIAGYGMSSA-N 2 1 367.494 0.130 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975843 1220449849 /nfs/dbraw/zinc/44/98/49/1220449849.db2.gz DDDHZPMPHQHUFQ-NXHRZFHOSA-N 2 1 364.534 0.879 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045125 1220475920 /nfs/dbraw/zinc/47/59/20/1220475920.db2.gz SHDXFFFNXCKWCC-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045125 1220475924 /nfs/dbraw/zinc/47/59/24/1220475924.db2.gz SHDXFFFNXCKWCC-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048813 1220477580 /nfs/dbraw/zinc/47/75/80/1220477580.db2.gz PPLDACFBJCKCCI-OLMNPRSZSA-N 2 1 368.522 0.163 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102104488 1220498213 /nfs/dbraw/zinc/49/82/13/1220498213.db2.gz YOWLAKXQOSKFTL-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102104488 1220498219 /nfs/dbraw/zinc/49/82/19/1220498219.db2.gz YOWLAKXQOSKFTL-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102104488 1220498224 /nfs/dbraw/zinc/49/82/24/1220498224.db2.gz YOWLAKXQOSKFTL-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102156424 1220528619 /nfs/dbraw/zinc/52/86/19/1220528619.db2.gz SUTVDDNQZFSMQJ-CXAGYDPISA-N 2 1 359.478 0.784 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102156424 1220528628 /nfs/dbraw/zinc/52/86/28/1220528628.db2.gz SUTVDDNQZFSMQJ-CXAGYDPISA-N 2 1 359.478 0.784 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185599 1220540999 /nfs/dbraw/zinc/54/09/99/1220540999.db2.gz KOGPGTXVIOMRGU-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185599 1220541003 /nfs/dbraw/zinc/54/10/03/1220541003.db2.gz KOGPGTXVIOMRGU-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185675 1220541943 /nfs/dbraw/zinc/54/19/43/1220541943.db2.gz NXYNPTNYTBNMEV-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290766 1220576472 /nfs/dbraw/zinc/57/64/72/1220576472.db2.gz UZCQBTFIHULEJZ-BRWVUGGUSA-N 2 1 371.522 0.036 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320563 1220582639 /nfs/dbraw/zinc/58/26/39/1220582639.db2.gz IPZRWMQYMZPQHC-HUUCEWRRSA-N 2 1 369.510 0.104 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)on1 ZINC001102320725 1220582766 /nfs/dbraw/zinc/58/27/66/1220582766.db2.gz QETFKMKYKNDKCW-BPLDGKMQSA-N 2 1 365.478 0.946 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)on1 ZINC001102320725 1220582772 /nfs/dbraw/zinc/58/27/72/1220582772.db2.gz QETFKMKYKNDKCW-BPLDGKMQSA-N 2 1 365.478 0.946 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102377127 1220600352 /nfs/dbraw/zinc/60/03/52/1220600352.db2.gz PFQJPLFPJSJNFX-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467212 1220636991 /nfs/dbraw/zinc/63/69/91/1220636991.db2.gz KMZGYCSRLQUYPR-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467212 1220636993 /nfs/dbraw/zinc/63/69/93/1220636993.db2.gz KMZGYCSRLQUYPR-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)cn1 ZINC001102468875 1220639444 /nfs/dbraw/zinc/63/94/44/1220639444.db2.gz DPIIZGXPWRJUFP-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)cn1 ZINC001102468875 1220639445 /nfs/dbraw/zinc/63/94/45/1220639445.db2.gz DPIIZGXPWRJUFP-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486885 1220650617 /nfs/dbraw/zinc/65/06/17/1220650617.db2.gz ZDQAQLMLZQMQFW-IAGOWNOFSA-N 2 1 363.506 0.678 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001102504327 1220663655 /nfs/dbraw/zinc/66/36/55/1220663655.db2.gz LOPYNRNBIBWARO-LZQZEXGQSA-N 2 1 367.534 0.800 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513765 1220672227 /nfs/dbraw/zinc/67/22/27/1220672227.db2.gz AJDSZJFWZFFURH-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513765 1220672229 /nfs/dbraw/zinc/67/22/29/1220672229.db2.gz AJDSZJFWZFFURH-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513765 1220672232 /nfs/dbraw/zinc/67/22/32/1220672232.db2.gz AJDSZJFWZFFURH-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513805 1220672747 /nfs/dbraw/zinc/67/27/47/1220672747.db2.gz BRMPNNZPRULIAD-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514508 1220673479 /nfs/dbraw/zinc/67/34/79/1220673479.db2.gz ZNKYGLGLJHQDHJ-SOLBZPMBSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514508 1220673482 /nfs/dbraw/zinc/67/34/82/1220673482.db2.gz ZNKYGLGLJHQDHJ-SOLBZPMBSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514508 1220673486 /nfs/dbraw/zinc/67/34/86/1220673486.db2.gz ZNKYGLGLJHQDHJ-SOLBZPMBSA-N 2 1 360.502 0.911 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514135 1220673564 /nfs/dbraw/zinc/67/35/64/1220673564.db2.gz OAPOCTOKVVHJNX-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514135 1220673567 /nfs/dbraw/zinc/67/35/67/1220673567.db2.gz OAPOCTOKVVHJNX-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514135 1220673571 /nfs/dbraw/zinc/67/35/71/1220673571.db2.gz OAPOCTOKVVHJNX-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520548 1220678386 /nfs/dbraw/zinc/67/83/86/1220678386.db2.gz OXWQVOGQTYCFJS-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102523856 1220679544 /nfs/dbraw/zinc/67/95/44/1220679544.db2.gz NXQCSDXBJZZEGH-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102523856 1220679546 /nfs/dbraw/zinc/67/95/46/1220679546.db2.gz NXQCSDXBJZZEGH-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102523856 1220679548 /nfs/dbraw/zinc/67/95/48/1220679548.db2.gz NXQCSDXBJZZEGH-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102524616 1220680702 /nfs/dbraw/zinc/68/07/02/1220680702.db2.gz NYRLHMMQSPRVCT-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102524616 1220680704 /nfs/dbraw/zinc/68/07/04/1220680704.db2.gz NYRLHMMQSPRVCT-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102524616 1220680706 /nfs/dbraw/zinc/68/07/06/1220680706.db2.gz NYRLHMMQSPRVCT-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579973 1220701697 /nfs/dbraw/zinc/70/16/97/1220701697.db2.gz ZTYGEJSQELNDLZ-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102579174 1220701895 /nfs/dbraw/zinc/70/18/95/1220701895.db2.gz LKIPZKQWRBOFRH-UKRRQHHQSA-N 2 1 361.446 0.025 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102579174 1220701899 /nfs/dbraw/zinc/70/18/99/1220701899.db2.gz LKIPZKQWRBOFRH-UKRRQHHQSA-N 2 1 361.446 0.025 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780849 1220781171 /nfs/dbraw/zinc/78/11/71/1220781171.db2.gz QWVUBAMDBXUYTI-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780849 1220781181 /nfs/dbraw/zinc/78/11/81/1220781181.db2.gz QWVUBAMDBXUYTI-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102780849 1220781195 /nfs/dbraw/zinc/78/11/95/1220781195.db2.gz QWVUBAMDBXUYTI-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102780849 1220781206 /nfs/dbraw/zinc/78/12/06/1220781206.db2.gz QWVUBAMDBXUYTI-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780447 1220782803 /nfs/dbraw/zinc/78/28/03/1220782803.db2.gz BTGVHIYITWSYHV-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780447 1220782809 /nfs/dbraw/zinc/78/28/09/1220782809.db2.gz BTGVHIYITWSYHV-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780447 1220782817 /nfs/dbraw/zinc/78/28/17/1220782817.db2.gz BTGVHIYITWSYHV-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086828 1220831126 /nfs/dbraw/zinc/83/11/26/1220831126.db2.gz SHYWNJIEZWTGPD-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086828 1220831130 /nfs/dbraw/zinc/83/11/30/1220831130.db2.gz SHYWNJIEZWTGPD-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170960 1220843584 /nfs/dbraw/zinc/84/35/84/1220843584.db2.gz LPTYOLHGNRTKMZ-IOASZLSFSA-N 2 1 365.478 0.688 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170960 1220843585 /nfs/dbraw/zinc/84/35/85/1220843585.db2.gz LPTYOLHGNRTKMZ-IOASZLSFSA-N 2 1 365.478 0.688 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001103171340 1220843841 /nfs/dbraw/zinc/84/38/41/1220843841.db2.gz XDNKVBXSKALCBH-XJKCOSOUSA-N 2 1 363.462 0.313 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001103171340 1220843842 /nfs/dbraw/zinc/84/38/42/1220843842.db2.gz XDNKVBXSKALCBH-XJKCOSOUSA-N 2 1 363.462 0.313 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103365256 1220871563 /nfs/dbraw/zinc/87/15/63/1220871563.db2.gz VUFHMHRIWUPRGZ-KURKYZTESA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001103365256 1220871567 /nfs/dbraw/zinc/87/15/67/1220871567.db2.gz VUFHMHRIWUPRGZ-KURKYZTESA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001103365256 1220871570 /nfs/dbraw/zinc/87/15/70/1220871570.db2.gz VUFHMHRIWUPRGZ-KURKYZTESA-N 2 1 371.522 0.179 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001103426898 1220880110 /nfs/dbraw/zinc/88/01/10/1220880110.db2.gz SDCPTLGPFJYLCX-KFWWJZLASA-N 2 1 369.510 0.376 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436313 1220882157 /nfs/dbraw/zinc/88/21/57/1220882157.db2.gz SVNIUZRIRHHKOE-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436313 1220882158 /nfs/dbraw/zinc/88/21/58/1220882158.db2.gz SVNIUZRIRHHKOE-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436313 1220882163 /nfs/dbraw/zinc/88/21/63/1220882163.db2.gz SVNIUZRIRHHKOE-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584351 1220908480 /nfs/dbraw/zinc/90/84/80/1220908480.db2.gz OWEXCOVWYHDQAH-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001103612683 1220913333 /nfs/dbraw/zinc/91/33/33/1220913333.db2.gz PNKUGXPIDOFXDV-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103612683 1220913337 /nfs/dbraw/zinc/91/33/37/1220913337.db2.gz PNKUGXPIDOFXDV-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103612683 1220913342 /nfs/dbraw/zinc/91/33/42/1220913342.db2.gz PNKUGXPIDOFXDV-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642217 1220925685 /nfs/dbraw/zinc/92/56/85/1220925685.db2.gz VAYUAYXKVOFQJR-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642082 1220926454 /nfs/dbraw/zinc/92/64/54/1220926454.db2.gz QBHVXAYBCRQVFW-IAGOWNOFSA-N 2 1 370.538 0.507 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001103723511 1220953019 /nfs/dbraw/zinc/95/30/19/1220953019.db2.gz NPARDXXIOWRXMP-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001103723511 1220953022 /nfs/dbraw/zinc/95/30/22/1220953022.db2.gz NPARDXXIOWRXMP-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103724626 1220954630 /nfs/dbraw/zinc/95/46/30/1220954630.db2.gz MSXDALHULQPIHC-FGTMMUONSA-N 2 1 371.522 0.038 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742722 1220960668 /nfs/dbraw/zinc/96/06/68/1220960668.db2.gz SYMAWHJYITYOFK-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742722 1220960681 /nfs/dbraw/zinc/96/06/81/1220960681.db2.gz SYMAWHJYITYOFK-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742722 1220960685 /nfs/dbraw/zinc/96/06/85/1220960685.db2.gz SYMAWHJYITYOFK-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001103742722 1220960689 /nfs/dbraw/zinc/96/06/89/1220960689.db2.gz SYMAWHJYITYOFK-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742535 1220960913 /nfs/dbraw/zinc/96/09/13/1220960913.db2.gz LBBKMVZEONGHMI-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742535 1220960916 /nfs/dbraw/zinc/96/09/16/1220960916.db2.gz LBBKMVZEONGHMI-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742535 1220960918 /nfs/dbraw/zinc/96/09/18/1220960918.db2.gz LBBKMVZEONGHMI-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742535 1220960920 /nfs/dbraw/zinc/96/09/20/1220960920.db2.gz LBBKMVZEONGHMI-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001104000136 1220996284 /nfs/dbraw/zinc/99/62/84/1220996284.db2.gz WSWWFVMKBDCWHS-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001104000136 1220996288 /nfs/dbraw/zinc/99/62/88/1220996288.db2.gz WSWWFVMKBDCWHS-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034038 1221001402 /nfs/dbraw/zinc/00/14/02/1221001402.db2.gz QGFWCPGVVOCTLW-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034038 1221001407 /nfs/dbraw/zinc/00/14/07/1221001407.db2.gz QGFWCPGVVOCTLW-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001229523098 1226015976 /nfs/dbraw/zinc/01/59/76/1226015976.db2.gz AUJMNSBKAXLBBJ-HUUCEWRRSA-N 2 1 367.494 0.287 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794735 1221112651 /nfs/dbraw/zinc/11/26/51/1221112651.db2.gz HFHDRWJXMSCVSK-KXBFYZLASA-N 2 1 359.474 0.625 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111852401 1221137006 /nfs/dbraw/zinc/13/70/06/1221137006.db2.gz RTNFUGZBLNTYTJ-SCTDSRPQSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111852401 1221137011 /nfs/dbraw/zinc/13/70/11/1221137011.db2.gz RTNFUGZBLNTYTJ-SCTDSRPQSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111852401 1221137013 /nfs/dbraw/zinc/13/70/13/1221137013.db2.gz RTNFUGZBLNTYTJ-SCTDSRPQSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111852401 1221137018 /nfs/dbraw/zinc/13/70/18/1221137018.db2.gz RTNFUGZBLNTYTJ-SCTDSRPQSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCC(=O)NC2=O)C3)CC1 ZINC001111855703 1221137562 /nfs/dbraw/zinc/13/75/62/1221137562.db2.gz JBAIWYAGEUVBIQ-KSMMKXTCSA-N 2 1 362.474 0.104 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOC)C2)[NH+](C)C ZINC001111875283 1221147177 /nfs/dbraw/zinc/14/71/77/1221147177.db2.gz WRTNAWICTUGBGD-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOC)C2)[NH+](C)C ZINC001111875283 1221147179 /nfs/dbraw/zinc/14/71/79/1221147179.db2.gz WRTNAWICTUGBGD-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938033 1221179115 /nfs/dbraw/zinc/17/91/15/1221179115.db2.gz IFXULHCWGAIXDY-JXFKEZNVSA-N 2 1 362.518 0.825 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938033 1221179117 /nfs/dbraw/zinc/17/91/17/1221179117.db2.gz IFXULHCWGAIXDY-JXFKEZNVSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939448 1221179733 /nfs/dbraw/zinc/17/97/33/1221179733.db2.gz AEZVMXHUDHZGGA-VCBZYWHSSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112431973 1221258355 /nfs/dbraw/zinc/25/83/55/1221258355.db2.gz UILSSLMWDLTIIO-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CCCCC2)CC[N@H+]1C ZINC001115543436 1221312647 /nfs/dbraw/zinc/31/26/47/1221312647.db2.gz ICFKKVKHBOKQIY-ZIAGYGMSSA-N 2 1 364.494 0.357 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001116040736 1221331868 /nfs/dbraw/zinc/33/18/68/1221331868.db2.gz WMOKFXIKJSQKFG-SFHVURJKSA-N 2 1 373.501 0.583 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001116040735 1221331934 /nfs/dbraw/zinc/33/19/34/1221331934.db2.gz WMOKFXIKJSQKFG-GOSISDBHSA-N 2 1 373.501 0.583 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001116513877 1221368363 /nfs/dbraw/zinc/36/83/63/1221368363.db2.gz NNMYXLVELVYTLB-OAHLLOKOSA-N 2 1 354.414 0.903 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001116513877 1221368365 /nfs/dbraw/zinc/36/83/65/1221368365.db2.gz NNMYXLVELVYTLB-OAHLLOKOSA-N 2 1 354.414 0.903 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001230215106 1226063999 /nfs/dbraw/zinc/06/39/99/1226063999.db2.gz GAAFAWRQBQTQLL-BRWVUGGUSA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001230215106 1226064008 /nfs/dbraw/zinc/06/40/08/1226064008.db2.gz GAAFAWRQBQTQLL-BRWVUGGUSA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001230215107 1226064240 /nfs/dbraw/zinc/06/42/40/1226064240.db2.gz GAAFAWRQBQTQLL-ZACQAIPSSA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001230215107 1226064247 /nfs/dbraw/zinc/06/42/47/1226064247.db2.gz GAAFAWRQBQTQLL-ZACQAIPSSA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C(C)C)C1 ZINC001230215028 1226064477 /nfs/dbraw/zinc/06/44/77/1226064477.db2.gz CPRAAQPKVRNMFD-BRWVUGGUSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C(C)C)C1 ZINC001230215028 1226064482 /nfs/dbraw/zinc/06/44/82/1226064482.db2.gz CPRAAQPKVRNMFD-BRWVUGGUSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC001118122359 1221716163 /nfs/dbraw/zinc/71/61/63/1221716163.db2.gz VBHIMOFQFOGTFP-DLBZAZTESA-N 2 1 358.486 0.882 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C(N)=O)c3ccccn3)CC2)CC1 ZINC001118317033 1221757436 /nfs/dbraw/zinc/75/74/36/1221757436.db2.gz HPWJLLISCOINFG-GOSISDBHSA-N 2 1 373.501 0.921 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001230284487 1226071492 /nfs/dbraw/zinc/07/14/92/1226071492.db2.gz HGZUAJPFOIEFHE-HUUCEWRRSA-N 2 1 367.494 0.286 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118678842 1221818425 /nfs/dbraw/zinc/81/84/25/1221818425.db2.gz RVLIQIMJNLDQOV-DLBZAZTESA-N 2 1 364.490 0.053 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)c2)C1 ZINC001119005368 1221854446 /nfs/dbraw/zinc/85/44/46/1221854446.db2.gz KPUWVYKTUSTUMR-XLAORIBOSA-N 2 1 356.470 0.608 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001119362808 1221906557 /nfs/dbraw/zinc/90/65/57/1221906557.db2.gz PKVVELYAZUHAPL-NUJGCVRESA-N 2 1 360.502 0.985 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC001119409354 1221912831 /nfs/dbraw/zinc/91/28/31/1221912831.db2.gz HZXQTGFJYMJQMT-UHFFFAOYSA-N 2 1 359.474 0.296 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410142 1221913303 /nfs/dbraw/zinc/91/33/03/1221913303.db2.gz UVYGVDWPMMXFHN-CVEARBPZSA-N 2 1 366.506 0.109 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC001119724956 1221957679 /nfs/dbraw/zinc/95/76/79/1221957679.db2.gz DNEHFADIPMFBEZ-DOTOQJQBSA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC001119724956 1221957686 /nfs/dbraw/zinc/95/76/86/1221957686.db2.gz DNEHFADIPMFBEZ-DOTOQJQBSA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC001119724956 1221957695 /nfs/dbraw/zinc/95/76/95/1221957695.db2.gz DNEHFADIPMFBEZ-DOTOQJQBSA-N 2 1 363.510 0.847 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NCCC[N@@H+](CCCO)Cc2cccnc2)O1 ZINC001230783465 1226087212 /nfs/dbraw/zinc/08/72/12/1226087212.db2.gz KCPATEXHMKLNPN-SJLPKXTDSA-N 2 1 364.490 0.491 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH+](CCCO)Cc2cccnc2)O1 ZINC001230783465 1226087217 /nfs/dbraw/zinc/08/72/17/1226087217.db2.gz KCPATEXHMKLNPN-SJLPKXTDSA-N 2 1 364.490 0.491 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH+](CCCO)Cc2cccnc2)O1 ZINC001230783465 1226087224 /nfs/dbraw/zinc/08/72/24/1226087224.db2.gz KCPATEXHMKLNPN-SJLPKXTDSA-N 2 1 364.490 0.491 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC[N@@H+](CCCO)Cc2cccnc2)O1 ZINC001230783465 1226087237 /nfs/dbraw/zinc/08/72/37/1226087237.db2.gz KCPATEXHMKLNPN-SJLPKXTDSA-N 2 1 364.490 0.491 20 0 FCADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)c2)CC1 ZINC001120376888 1222074577 /nfs/dbraw/zinc/07/45/77/1222074577.db2.gz NQNCBLWCBVVOFD-PMACEKPBSA-N 2 1 363.502 0.426 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001122049073 1222236574 /nfs/dbraw/zinc/23/65/74/1222236574.db2.gz FFQZJZQYRJABNP-HXUWFJFHSA-N 2 1 374.485 0.794 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123695608 1222351471 /nfs/dbraw/zinc/35/14/71/1222351471.db2.gz UXMFGXVADWMSLV-WMZOPIPTSA-N 2 1 367.538 0.375 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC001123769893 1222356225 /nfs/dbraw/zinc/35/62/25/1222356225.db2.gz PJXLGUBWDFSCMR-BTHPGYMESA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001123769893 1222356230 /nfs/dbraw/zinc/35/62/30/1222356230.db2.gz PJXLGUBWDFSCMR-BTHPGYMESA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001123769893 1222356234 /nfs/dbraw/zinc/35/62/34/1222356234.db2.gz PJXLGUBWDFSCMR-BTHPGYMESA-N 2 1 372.513 0.374 20 0 FCADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001123886519 1222362800 /nfs/dbraw/zinc/36/28/00/1222362800.db2.gz QPPGUNKYXKSEQI-MSOLQXFVSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000834708140 1222585788 /nfs/dbraw/zinc/58/57/88/1222585788.db2.gz QSWVFKJOVIXITN-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000834708140 1222585791 /nfs/dbraw/zinc/58/57/91/1222585791.db2.gz QSWVFKJOVIXITN-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C ZINC000834708140 1222585796 /nfs/dbraw/zinc/58/57/96/1222585796.db2.gz QSWVFKJOVIXITN-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C ZINC000834708140 1222585801 /nfs/dbraw/zinc/58/58/01/1222585801.db2.gz QSWVFKJOVIXITN-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834750739 1222587487 /nfs/dbraw/zinc/58/74/87/1222587487.db2.gz IUAHICQHZWBXFQ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834750739 1222587492 /nfs/dbraw/zinc/58/74/92/1222587492.db2.gz IUAHICQHZWBXFQ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](Cc1cnc3cc[nH]cc1-3)C[C@H]2C(=O)N(C)C ZINC001140806680 1222614805 /nfs/dbraw/zinc/61/48/05/1222614805.db2.gz NWGZAOXLUMSCBB-INIZCTEOSA-N 2 1 355.442 0.931 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1cnc3cc[nH]cc1-3)C[C@H]2C(=O)N(C)C ZINC001140806680 1222614809 /nfs/dbraw/zinc/61/48/09/1222614809.db2.gz NWGZAOXLUMSCBB-INIZCTEOSA-N 2 1 355.442 0.931 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C[C@H]2C(=O)N(C)C ZINC001140806680 1222614811 /nfs/dbraw/zinc/61/48/11/1222614811.db2.gz NWGZAOXLUMSCBB-INIZCTEOSA-N 2 1 355.442 0.931 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)C[C@H]2C(=O)N(C)C ZINC001140806680 1222614813 /nfs/dbraw/zinc/61/48/13/1222614813.db2.gz NWGZAOXLUMSCBB-INIZCTEOSA-N 2 1 355.442 0.931 20 0 FCADMP CN1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(N)nc2)CC3)CC1 ZINC001232368419 1226150246 /nfs/dbraw/zinc/15/02/46/1226150246.db2.gz WEOBKBXDDIUAGA-UHFFFAOYSA-N 2 1 353.474 0.806 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccc(N)nc2)CC3)CC1 ZINC001232368419 1226150249 /nfs/dbraw/zinc/15/02/49/1226150249.db2.gz WEOBKBXDDIUAGA-UHFFFAOYSA-N 2 1 353.474 0.806 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000841149054 1222810059 /nfs/dbraw/zinc/81/00/59/1222810059.db2.gz CNCIRVPODRZPGT-UHFFFAOYSA-N 2 1 359.474 0.589 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138085 1222917614 /nfs/dbraw/zinc/91/76/14/1222917614.db2.gz SZXKGSZQPJLWEW-BZUAXINKSA-N 2 1 368.522 0.578 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703919 1226163994 /nfs/dbraw/zinc/16/39/94/1226163994.db2.gz ISTWFYDJLQGVJX-XLIONFOSSA-N 2 1 361.486 0.912 20 0 FCADMP CCOC(=O)c1c(C[NH3+])ncn1-c1nc(N2CCOCC2)[nH+]c2c1CCN2 ZINC001155077792 1223023687 /nfs/dbraw/zinc/02/36/87/1223023687.db2.gz IGIDWBYTFISVJK-UHFFFAOYSA-N 2 1 373.417 0.102 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001157169696 1223069172 /nfs/dbraw/zinc/06/91/72/1223069172.db2.gz SZYDFBWWKAHKMO-HNNXBMFYSA-N 2 1 365.522 0.700 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001157323113 1223073827 /nfs/dbraw/zinc/07/38/27/1223073827.db2.gz MUPXVRXHLWRNIF-DLBZAZTESA-N 2 1 362.474 0.247 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001157323113 1223073831 /nfs/dbraw/zinc/07/38/31/1223073831.db2.gz MUPXVRXHLWRNIF-DLBZAZTESA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+]1CCN(c2nccc(N(c3cnccn3)C3CC[NH2+]CC3)n2)CC1 ZINC001157543856 1223078795 /nfs/dbraw/zinc/07/87/95/1223078795.db2.gz WWGXXAJLBPMFHQ-UHFFFAOYSA-N 2 1 354.462 0.909 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCCNCc1cnn(C)n1 ZINC001158249438 1223091744 /nfs/dbraw/zinc/09/17/44/1223091744.db2.gz GVCVSRLRALIRNI-GDBMZVCRSA-N 2 1 357.462 0.579 20 0 FCADMP CC(C)CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158330817 1223094848 /nfs/dbraw/zinc/09/48/48/1223094848.db2.gz VSVUEOBQXDNABN-IAGOWNOFSA-N 2 1 370.538 0.601 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001158411612 1223097047 /nfs/dbraw/zinc/09/70/47/1223097047.db2.gz IUDVSAXWKUJSPC-QLFBSQMISA-N 2 1 369.510 0.435 20 0 FCADMP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533300 1223101688 /nfs/dbraw/zinc/10/16/88/1223101688.db2.gz JZHLWNNNGRVSPZ-JSFADZTLSA-N 3 1 362.518 0.430 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891370 1223112070 /nfs/dbraw/zinc/11/20/70/1223112070.db2.gz YBQBFGBPSLWDRB-DHSIGJKJSA-N 2 1 374.420 0.368 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC001159123311 1223117746 /nfs/dbraw/zinc/11/77/46/1223117746.db2.gz HJIQPOBEUUVOFI-QFBILLFUSA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[C@@H]3CCC[NH2+]C3)C2)C1 ZINC001159123311 1223117747 /nfs/dbraw/zinc/11/77/47/1223117747.db2.gz HJIQPOBEUUVOFI-QFBILLFUSA-N 2 1 366.506 0.063 20 0 FCADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159136532 1223118270 /nfs/dbraw/zinc/11/82/70/1223118270.db2.gz XRVBOLICVJNUHQ-OKZBNKHCSA-N 2 1 354.458 0.560 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159133273 1223118453 /nfs/dbraw/zinc/11/84/53/1223118453.db2.gz ICHGMJDFFRZRBN-BBWFWOEESA-N 2 1 357.458 0.207 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316204 1223123943 /nfs/dbraw/zinc/12/39/43/1223123943.db2.gz DFVFMHFNXOWFDO-WNRNVDISSA-N 3 1 361.490 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159316204 1223123945 /nfs/dbraw/zinc/12/39/45/1223123945.db2.gz DFVFMHFNXOWFDO-WNRNVDISSA-N 2 1 361.490 0.196 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425114 1223126839 /nfs/dbraw/zinc/12/68/39/1223126839.db2.gz PSOYFPLUYSTWGG-MLHJIOFPSA-N 3 1 361.490 0.338 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425114 1223126842 /nfs/dbraw/zinc/12/68/42/1223126842.db2.gz PSOYFPLUYSTWGG-MLHJIOFPSA-N 3 1 361.490 0.338 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC[C@@H]21 ZINC001159533376 1223129102 /nfs/dbraw/zinc/12/91/02/1223129102.db2.gz DTYPOSREDBCAGO-ICUGJSFKSA-N 2 1 361.490 0.306 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)[C@H]2C ZINC001159633789 1223131785 /nfs/dbraw/zinc/13/17/85/1223131785.db2.gz RCRXTILQFWDYRN-PSLQGDIJSA-N 2 1 360.506 0.848 20 0 FCADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834573 1223137442 /nfs/dbraw/zinc/13/74/42/1223137442.db2.gz VONHCVVHGVBYTQ-VNQPRFMTSA-N 2 1 374.514 0.869 20 0 FCADMP CC(=O)OC[C@H](N)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855225 1223137998 /nfs/dbraw/zinc/13/79/98/1223137998.db2.gz JDWYXVVJQVPQEP-OIISXLGYSA-N 2 1 365.405 0.380 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855225 1223138002 /nfs/dbraw/zinc/13/80/02/1223138002.db2.gz JDWYXVVJQVPQEP-OIISXLGYSA-N 2 1 365.405 0.380 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001160036201 1223142937 /nfs/dbraw/zinc/14/29/37/1223142937.db2.gz PURBNMCUXZZWDB-MSOLQXFVSA-N 2 1 367.453 0.714 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@H]21 ZINC001160424383 1223159355 /nfs/dbraw/zinc/15/93/55/1223159355.db2.gz SKVVLPSXUDZSMX-LZBKUMLDSA-N 2 1 357.502 0.687 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585945 1223165491 /nfs/dbraw/zinc/16/54/91/1223165491.db2.gz UROLCUUAPPCYQV-CQSZACIVSA-N 2 1 354.414 0.136 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621046 1223166571 /nfs/dbraw/zinc/16/65/71/1223166571.db2.gz IXCRAQKHORJRKT-UHFFFAOYSA-N 2 1 372.448 0.692 20 0 FCADMP CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787569 1223172415 /nfs/dbraw/zinc/17/24/15/1223172415.db2.gz LHDRYBZQSSQOFP-ZFWWWQNUSA-N 2 1 361.446 0.273 20 0 FCADMP CCOC(=O)[C@]12CN(C(=O)c3ccc([C@H]([NH3+])CN)cc3)C[C@H]1C[NH2+]CC2 ZINC001160819537 1223176036 /nfs/dbraw/zinc/17/60/36/1223176036.db2.gz RNXHNJMLONFDHV-GPMSIDNRSA-N 2 1 360.458 0.260 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)C1=O ZINC001160854956 1223177670 /nfs/dbraw/zinc/17/76/70/1223177670.db2.gz IORREPYBXBTWGO-ZWKOTPCHSA-N 2 1 356.470 0.768 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)C1=O ZINC001160854956 1223177676 /nfs/dbraw/zinc/17/76/76/1223177676.db2.gz IORREPYBXBTWGO-ZWKOTPCHSA-N 2 1 356.470 0.768 20 0 FCADMP CO[C@@H](C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1)c1ccccc1 ZINC001160905616 1223180310 /nfs/dbraw/zinc/18/03/10/1223180310.db2.gz RRYGDNWFJRCSBD-BJLQDIEVSA-N 2 1 359.470 0.754 20 0 FCADMP CO[C@H](C[NH+]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906089 1223180392 /nfs/dbraw/zinc/18/03/92/1223180392.db2.gz BLXPRDCFROVOBN-RTBURBONSA-N 3 1 360.502 0.845 20 0 FCADMP CO[C@@H](C[NH+]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160906088 1223180640 /nfs/dbraw/zinc/18/06/40/1223180640.db2.gz BLXPRDCFROVOBN-RBUKOAKNSA-N 3 1 360.502 0.845 20 0 FCADMP C[C@]1(CC(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161196232 1223188489 /nfs/dbraw/zinc/18/84/89/1223188489.db2.gz AXZOPKJORNCUQN-HXUWFJFHSA-N 3 1 366.550 0.927 20 0 FCADMP [NH3+][C@@H]1CC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)OC1 ZINC001161198825 1223189325 /nfs/dbraw/zinc/18/93/25/1223189325.db2.gz ZKKGTFCXOVBDBG-MSOLQXFVSA-N 3 1 368.522 0.043 20 0 FCADMP COc1ccc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC001161303917 1223195236 /nfs/dbraw/zinc/19/52/36/1223195236.db2.gz PSFGKZJOIYABMM-UHFFFAOYSA-N 2 1 360.458 0.321 20 0 FCADMP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423874 1223198973 /nfs/dbraw/zinc/19/89/73/1223198973.db2.gz RBULHNYHGHCSKA-PBHICJAKSA-N 2 1 355.442 0.070 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2nccc(N3CCC([NH3+])CC3)n2)C1 ZINC001163119825 1223226557 /nfs/dbraw/zinc/22/65/57/1223226557.db2.gz VXEWRODUCCHKTO-OAHLLOKOSA-N 2 1 362.478 0.509 20 0 FCADMP CN1CCN(c2cccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)CC1 ZINC001163653817 1223233378 /nfs/dbraw/zinc/23/33/78/1223233378.db2.gz LHHFMNPFTJVWLZ-MRXNPFEDSA-N 2 1 359.474 0.661 20 0 FCADMP CCCn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582287 1223240166 /nfs/dbraw/zinc/24/01/66/1223240166.db2.gz GFGNQAUYWLHJHQ-HUUCEWRRSA-N 2 1 363.510 0.799 20 0 FCADMP CCn1ccnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711723 1223254862 /nfs/dbraw/zinc/25/48/62/1223254862.db2.gz UUEPWWKNQXTDNS-HZPDHXFCSA-N 2 1 363.506 0.998 20 0 FCADMP CCn1ccnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711723 1223254865 /nfs/dbraw/zinc/25/48/65/1223254865.db2.gz UUEPWWKNQXTDNS-HZPDHXFCSA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001165727526 1223254918 /nfs/dbraw/zinc/25/49/18/1223254918.db2.gz CCTVIPUZNYHTEW-NVXWUHKLSA-N 2 1 363.506 0.558 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001165727526 1223254920 /nfs/dbraw/zinc/25/49/20/1223254920.db2.gz CCTVIPUZNYHTEW-NVXWUHKLSA-N 2 1 363.506 0.558 20 0 FCADMP Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001165729136 1223255659 /nfs/dbraw/zinc/25/56/59/1223255659.db2.gz ZSVLVRQEOMVUIJ-NVXWUHKLSA-N 2 1 363.506 0.824 20 0 FCADMP Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001165729136 1223255661 /nfs/dbraw/zinc/25/56/61/1223255661.db2.gz ZSVLVRQEOMVUIJ-NVXWUHKLSA-N 2 1 363.506 0.824 20 0 FCADMP c1cnn(Cc2c[nH+]c3n2CCN(c2cc4c(nn2)CC[NH2+]C4)CC3)c1 ZINC001165969327 1223263642 /nfs/dbraw/zinc/26/36/42/1223263642.db2.gz IWYVXRAHEMPFHN-UHFFFAOYSA-N 2 1 350.430 0.626 20 0 FCADMP Cc1cncn1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205156843 1223313632 /nfs/dbraw/zinc/31/36/32/1223313632.db2.gz HNAUYTZNXXCGCL-QZTJIDSGSA-N 2 1 358.442 0.258 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205188254 1223315219 /nfs/dbraw/zinc/31/52/19/1223315219.db2.gz FCVJBLPYUFZDNB-BHIYHBOVSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205188254 1223315221 /nfs/dbraw/zinc/31/52/21/1223315221.db2.gz FCVJBLPYUFZDNB-BHIYHBOVSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001205188254 1223315224 /nfs/dbraw/zinc/31/52/24/1223315224.db2.gz FCVJBLPYUFZDNB-BHIYHBOVSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001205188254 1223315227 /nfs/dbraw/zinc/31/52/27/1223315227.db2.gz FCVJBLPYUFZDNB-BHIYHBOVSA-N 2 1 361.486 0.394 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205674389 1223334402 /nfs/dbraw/zinc/33/44/02/1223334402.db2.gz OUCKUQCWZVTGJM-UKPHBRMFSA-N 2 1 364.465 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]2C)CC[N@H+]1C ZINC001207001375 1223403236 /nfs/dbraw/zinc/40/32/36/1223403236.db2.gz WFYSFBULWOJADF-YYIAUSFCSA-N 2 1 367.538 0.861 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]2C)CC[NH+]1C ZINC001207001375 1223403239 /nfs/dbraw/zinc/40/32/39/1223403239.db2.gz WFYSFBULWOJADF-YYIAUSFCSA-N 2 1 367.538 0.861 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]2C)CC[NH+]1C ZINC001207001375 1223403242 /nfs/dbraw/zinc/40/32/42/1223403242.db2.gz WFYSFBULWOJADF-YYIAUSFCSA-N 2 1 367.538 0.861 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC1 ZINC001207395549 1223442728 /nfs/dbraw/zinc/44/27/28/1223442728.db2.gz UINLWBKEFLKMIL-SFHVURJKSA-N 2 1 365.518 0.916 20 0 FCADMP CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207396030 1223443670 /nfs/dbraw/zinc/44/36/70/1223443670.db2.gz ARBRKMFKTDRWFE-QGZVFWFLSA-N 2 1 363.506 0.762 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435334 1223446184 /nfs/dbraw/zinc/44/61/84/1223446184.db2.gz LFQOWHABDQTIHZ-HXUWFJFHSA-N 2 1 371.485 0.721 20 0 FCADMP Cn1nnc2c1CC[N@H+](CC1CC[NH2+]CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001207435331 1223446906 /nfs/dbraw/zinc/44/69/06/1223446906.db2.gz LEBBITBPRICVJW-SFHVURJKSA-N 3 1 362.522 0.826 20 0 FCADMP Cn1nnc2c1CC[N@@H+](CC1CC[NH2+]CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001207435331 1223446909 /nfs/dbraw/zinc/44/69/09/1223446909.db2.gz LEBBITBPRICVJW-SFHVURJKSA-N 3 1 362.522 0.826 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617161 1223461596 /nfs/dbraw/zinc/46/15/96/1223461596.db2.gz OVODMZFVAWJBDJ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617161 1223461598 /nfs/dbraw/zinc/46/15/98/1223461598.db2.gz OVODMZFVAWJBDJ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207617161 1223461601 /nfs/dbraw/zinc/46/16/01/1223461601.db2.gz OVODMZFVAWJBDJ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207617161 1223461606 /nfs/dbraw/zinc/46/16/06/1223461606.db2.gz OVODMZFVAWJBDJ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750781 1223476274 /nfs/dbraw/zinc/47/62/74/1223476274.db2.gz YELVXPUSUUZLHI-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750781 1223476272 /nfs/dbraw/zinc/47/62/72/1223476272.db2.gz YELVXPUSUUZLHI-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750781 1223476276 /nfs/dbraw/zinc/47/62/76/1223476276.db2.gz YELVXPUSUUZLHI-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CCN(Cc3[nH+]cn4ccccc34)C2)OCC1=O ZINC001276559572 1223519456 /nfs/dbraw/zinc/51/94/56/1223519456.db2.gz DNIRYCXGCOHTMY-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001208361879 1223535001 /nfs/dbraw/zinc/53/50/01/1223535001.db2.gz JQDQRJNHJQTZFW-RBSFLKMASA-N 2 1 363.462 0.247 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485953 1223551226 /nfs/dbraw/zinc/55/12/26/1223551226.db2.gz XRMYEFQRGXMJHQ-GDBMZVCRSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492551 1223551367 /nfs/dbraw/zinc/55/13/67/1223551367.db2.gz NACBSQYAYMKTLO-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492551 1223551370 /nfs/dbraw/zinc/55/13/70/1223551370.db2.gz NACBSQYAYMKTLO-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496086 1223551376 /nfs/dbraw/zinc/55/13/76/1223551376.db2.gz JGIOWZXZFCJWMQ-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496086 1223551380 /nfs/dbraw/zinc/55/13/80/1223551380.db2.gz JGIOWZXZFCJWMQ-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493292 1223551643 /nfs/dbraw/zinc/55/16/43/1223551643.db2.gz YKAMMUPAASURSG-CRAIPNDOSA-N 2 1 371.485 0.785 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496480 1223552559 /nfs/dbraw/zinc/55/25/59/1223552559.db2.gz VMIVGXYSOFPMDX-QGPMSJSTSA-N 2 1 367.465 0.954 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](CC)CC ZINC001208574587 1223558314 /nfs/dbraw/zinc/55/83/14/1223558314.db2.gz AUFBRALOWYLGTK-ZACQAIPSSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](CC)CC ZINC001208574587 1223558318 /nfs/dbraw/zinc/55/83/18/1223558318.db2.gz AUFBRALOWYLGTK-ZACQAIPSSA-N 2 1 370.538 0.696 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610630 1223562792 /nfs/dbraw/zinc/56/27/92/1223562792.db2.gz RIXDDPQJGOUTNA-YLFCFFPRSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610630 1223562794 /nfs/dbraw/zinc/56/27/94/1223562794.db2.gz RIXDDPQJGOUTNA-YLFCFFPRSA-N 2 1 359.474 0.951 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)C1 ZINC001208610630 1223562796 /nfs/dbraw/zinc/56/27/96/1223562796.db2.gz RIXDDPQJGOUTNA-YLFCFFPRSA-N 2 1 359.474 0.951 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738931 1223575078 /nfs/dbraw/zinc/57/50/78/1223575078.db2.gz LWRWROGBCIGIAU-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@@H+](C[C@@H]3COC(C)(C)O3)C2)OCC1=O ZINC001276617882 1223600217 /nfs/dbraw/zinc/60/02/17/1223600217.db2.gz MXZTZAFCASRWPX-CRAIPNDOSA-N 2 1 364.446 0.375 20 0 FCADMP COC(=O)CC[N@H+](CCC[NH+](C)C)CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001209332566 1223611800 /nfs/dbraw/zinc/61/18/00/1223611800.db2.gz GBURJSOZCNSPQT-CQSZACIVSA-N 2 1 365.474 0.922 20 0 FCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001209332566 1223611803 /nfs/dbraw/zinc/61/18/03/1223611803.db2.gz GBURJSOZCNSPQT-CQSZACIVSA-N 2 1 365.474 0.922 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514128 1223626038 /nfs/dbraw/zinc/62/60/38/1223626038.db2.gz HPCQOJRPZNFASW-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514128 1223626041 /nfs/dbraw/zinc/62/60/41/1223626041.db2.gz HPCQOJRPZNFASW-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698557 1223642190 /nfs/dbraw/zinc/64/21/90/1223642190.db2.gz QXLYWZIGFVYTBL-SJLPKXTDSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837067 1223652798 /nfs/dbraw/zinc/65/27/98/1223652798.db2.gz VEXXJYOIOHXVOC-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209837067 1223652801 /nfs/dbraw/zinc/65/28/01/1223652801.db2.gz VEXXJYOIOHXVOC-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210040194 1223662745 /nfs/dbraw/zinc/66/27/45/1223662745.db2.gz CKAOBQQTUFKGGR-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210040194 1223662749 /nfs/dbraw/zinc/66/27/49/1223662749.db2.gz CKAOBQQTUFKGGR-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001210040194 1223662751 /nfs/dbraw/zinc/66/27/51/1223662751.db2.gz CKAOBQQTUFKGGR-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210214038 1223675668 /nfs/dbraw/zinc/67/56/68/1223675668.db2.gz ROFPNHFECBJBJY-HUUCEWRRSA-N 2 1 369.510 0.520 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210214038 1223675673 /nfs/dbraw/zinc/67/56/73/1223675673.db2.gz ROFPNHFECBJBJY-HUUCEWRRSA-N 2 1 369.510 0.520 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031318 1223719981 /nfs/dbraw/zinc/71/99/81/1223719981.db2.gz BPWWFJZACZZXTL-ZIFCJYIRSA-N 2 1 361.486 0.959 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447948 1223743870 /nfs/dbraw/zinc/74/38/70/1223743870.db2.gz QKKLQNQJWPTVQC-SJLPKXTDSA-N 2 1 356.474 0.847 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447948 1223743874 /nfs/dbraw/zinc/74/38/74/1223743874.db2.gz QKKLQNQJWPTVQC-SJLPKXTDSA-N 2 1 356.474 0.847 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447948 1223743876 /nfs/dbraw/zinc/74/38/76/1223743876.db2.gz QKKLQNQJWPTVQC-SJLPKXTDSA-N 2 1 356.474 0.847 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447948 1223743879 /nfs/dbraw/zinc/74/38/79/1223743879.db2.gz QKKLQNQJWPTVQC-SJLPKXTDSA-N 2 1 356.474 0.847 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213191462 1223765607 /nfs/dbraw/zinc/76/56/07/1223765607.db2.gz AUFFHAQPSIHHGZ-RVKOJVRFSA-N 2 1 367.490 0.090 20 0 FCADMP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001213191462 1223765610 /nfs/dbraw/zinc/76/56/10/1223765610.db2.gz AUFFHAQPSIHHGZ-RVKOJVRFSA-N 2 1 367.490 0.090 20 0 FCADMP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001213191462 1223765613 /nfs/dbraw/zinc/76/56/13/1223765613.db2.gz AUFFHAQPSIHHGZ-RVKOJVRFSA-N 2 1 367.490 0.090 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346611 1223788939 /nfs/dbraw/zinc/78/89/39/1223788939.db2.gz VIVSQDUOIFSCLR-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369547 1223791243 /nfs/dbraw/zinc/79/12/43/1223791243.db2.gz VHOXHYWXQXAEDQ-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369379 1223791250 /nfs/dbraw/zinc/79/12/50/1223791250.db2.gz QMGXVJHESLINAM-USXIJHARSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369379 1223791251 /nfs/dbraw/zinc/79/12/51/1223791251.db2.gz QMGXVJHESLINAM-USXIJHARSA-N 2 1 368.522 0.399 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440502 1223798965 /nfs/dbraw/zinc/79/89/65/1223798965.db2.gz RMTWUOSZNJPDQP-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440502 1223798966 /nfs/dbraw/zinc/79/89/66/1223798966.db2.gz RMTWUOSZNJPDQP-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526652 1223809789 /nfs/dbraw/zinc/80/97/89/1223809789.db2.gz SPBRFXXIKZJOSQ-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526652 1223809791 /nfs/dbraw/zinc/80/97/91/1223809791.db2.gz SPBRFXXIKZJOSQ-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526652 1223809792 /nfs/dbraw/zinc/80/97/92/1223809792.db2.gz SPBRFXXIKZJOSQ-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526652 1223809795 /nfs/dbraw/zinc/80/97/95/1223809795.db2.gz SPBRFXXIKZJOSQ-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@H](OC)C2)C1 ZINC001213581201 1223817561 /nfs/dbraw/zinc/81/75/61/1223817561.db2.gz QATGBFAIEDQOCD-OPQOLIRYSA-N 2 1 369.506 0.339 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@H](OC)C2)C1 ZINC001213581201 1223817562 /nfs/dbraw/zinc/81/75/62/1223817562.db2.gz QATGBFAIEDQOCD-OPQOLIRYSA-N 2 1 369.506 0.339 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213598245 1223820767 /nfs/dbraw/zinc/82/07/67/1223820767.db2.gz DZFWFRZAJVJBQJ-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213746990 1223843130 /nfs/dbraw/zinc/84/31/30/1223843130.db2.gz ATIKHOMJZCNWDU-BRWVUGGUSA-N 2 1 370.538 0.789 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213746990 1223843131 /nfs/dbraw/zinc/84/31/31/1223843131.db2.gz ATIKHOMJZCNWDU-BRWVUGGUSA-N 2 1 370.538 0.789 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759770 1223845417 /nfs/dbraw/zinc/84/54/17/1223845417.db2.gz ZSVVTDJMGOMOJN-GVDBMIGSSA-N 2 1 370.538 0.694 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)CC[N@H+]1C ZINC000978152462 1248708007 /nfs/dbraw/zinc/70/80/07/1248708007.db2.gz FPPWHIHCULZDKV-LTFXXXRZSA-N 2 1 359.518 0.987 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)CC[NH+]1C ZINC000978152462 1248708014 /nfs/dbraw/zinc/70/80/14/1248708014.db2.gz FPPWHIHCULZDKV-LTFXXXRZSA-N 2 1 359.518 0.987 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)CC[NH+]1C ZINC000978152462 1248708025 /nfs/dbraw/zinc/70/80/25/1248708025.db2.gz FPPWHIHCULZDKV-LTFXXXRZSA-N 2 1 359.518 0.987 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921584 1223873203 /nfs/dbraw/zinc/87/32/03/1223873203.db2.gz FQUHCWAUQGIMKF-IAGOWNOFSA-N 2 1 366.506 0.204 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921584 1223873206 /nfs/dbraw/zinc/87/32/06/1223873206.db2.gz FQUHCWAUQGIMKF-IAGOWNOFSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001214343688 1223902937 /nfs/dbraw/zinc/90/29/37/1223902937.db2.gz CKXPMWDCVWURTL-KBRIMQKVSA-N 2 1 362.518 0.822 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)no1 ZINC001214664191 1223929972 /nfs/dbraw/zinc/92/99/72/1223929972.db2.gz PGRUWTXUSNMHKQ-NMFUWQPSSA-N 2 1 363.462 0.698 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001214668071 1223930629 /nfs/dbraw/zinc/93/06/29/1223930629.db2.gz OOADNCYFNLAEAT-LXTVHRRPSA-N 2 1 363.462 0.780 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214863809 1223949189 /nfs/dbraw/zinc/94/91/89/1223949189.db2.gz XKAZJGQZKWBCKK-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889550 1223952393 /nfs/dbraw/zinc/95/23/93/1223952393.db2.gz MJMVPRAXCCDLMQ-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001214894992 1223952593 /nfs/dbraw/zinc/95/25/93/1223952593.db2.gz WARZEORIGROZKF-DNNBLBMLSA-N 2 1 363.462 0.102 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001215001940 1223962874 /nfs/dbraw/zinc/96/28/74/1223962874.db2.gz VEBZHRXOJGGRKS-ZIAGYGMSSA-N 2 1 362.478 0.582 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215161745 1223979157 /nfs/dbraw/zinc/97/91/57/1223979157.db2.gz CSHSRQBRQSUWJM-NVXWUHKLSA-N 2 1 364.490 0.861 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392967 1223995979 /nfs/dbraw/zinc/99/59/79/1223995979.db2.gz IQFAOHFESHPQQX-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392967 1223995980 /nfs/dbraw/zinc/99/59/80/1223995980.db2.gz IQFAOHFESHPQQX-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276724559 1224006064 /nfs/dbraw/zinc/00/60/64/1224006064.db2.gz YBHYPYVPYBSGEX-LJQANCHMSA-N 2 1 360.458 0.998 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934425 1224025033 /nfs/dbraw/zinc/02/50/33/1224025033.db2.gz SDGJGCBRDRNECX-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001215934438 1224025127 /nfs/dbraw/zinc/02/51/27/1224025127.db2.gz SPJJVDLAFFODMC-SJLPKXTDSA-N 2 1 363.506 0.859 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216081606 1224033581 /nfs/dbraw/zinc/03/35/81/1224033581.db2.gz JRMUMHQXVVKNRZ-CXAGYDPISA-N 2 1 368.441 0.596 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216324254 1224044576 /nfs/dbraw/zinc/04/45/76/1224044576.db2.gz SINZHJNEGBTZPZ-RBSFLKMASA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001216752411 1224068614 /nfs/dbraw/zinc/06/86/14/1224068614.db2.gz NXSDAMSWVQMCDR-BFYDXBDKSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001216754167 1224068655 /nfs/dbraw/zinc/06/86/55/1224068655.db2.gz JSQTXJUHLJIDSG-KBRIMQKVSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982281941 1248775966 /nfs/dbraw/zinc/77/59/66/1248775966.db2.gz DXVVCDUCWHZNTR-WVPQZDDBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982281941 1248775977 /nfs/dbraw/zinc/77/59/77/1248775977.db2.gz DXVVCDUCWHZNTR-WVPQZDDBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+]([C@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982281941 1248775984 /nfs/dbraw/zinc/77/59/84/1248775984.db2.gz DXVVCDUCWHZNTR-WVPQZDDBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000988014155 1249292574 /nfs/dbraw/zinc/29/25/74/1249292574.db2.gz QUMIPJUDFFOHTI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000988014155 1249292583 /nfs/dbraw/zinc/29/25/83/1249292583.db2.gz QUMIPJUDFFOHTI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000992407516 1249364071 /nfs/dbraw/zinc/36/40/71/1249364071.db2.gz PBTRIIHMMCDAGE-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993832900 1250000527 /nfs/dbraw/zinc/00/05/27/1250000527.db2.gz FDFYGQATTBVJOB-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993832900 1250000532 /nfs/dbraw/zinc/00/05/32/1250000532.db2.gz FDFYGQATTBVJOB-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848614829 1245375168 /nfs/dbraw/zinc/37/51/68/1245375168.db2.gz YGWNHYIWPILXFR-ZWKOTPCHSA-N 2 1 358.486 0.937 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000994084643 1250184081 /nfs/dbraw/zinc/18/40/81/1250184081.db2.gz LBKHVHDTRNDEBI-MUIFIZLQSA-N 2 1 361.490 0.742 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000994084643 1250184093 /nfs/dbraw/zinc/18/40/93/1250184093.db2.gz LBKHVHDTRNDEBI-MUIFIZLQSA-N 2 1 361.490 0.742 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000891601468 1245457059 /nfs/dbraw/zinc/45/70/59/1245457059.db2.gz GABROYUMPHYTQA-SJORKVTESA-N 2 1 367.538 0.328 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517804 1245504224 /nfs/dbraw/zinc/50/42/24/1245504224.db2.gz XQDPOXSCSGOJOT-ATZDWAIDSA-N 2 1 370.497 0.918 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475664 1245557929 /nfs/dbraw/zinc/55/79/29/1245557929.db2.gz CNRYOLOHPBJKSA-ZWKOTPCHSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475664 1245557937 /nfs/dbraw/zinc/55/79/37/1245557937.db2.gz CNRYOLOHPBJKSA-ZWKOTPCHSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000917475664 1245557946 /nfs/dbraw/zinc/55/79/46/1245557946.db2.gz CNRYOLOHPBJKSA-ZWKOTPCHSA-N 2 1 373.501 0.887 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923379116 1245713134 /nfs/dbraw/zinc/71/31/34/1245713134.db2.gz XTEMDINHGKHLNC-QXAKKESOSA-N 2 1 374.485 0.646 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000938911346 1245947709 /nfs/dbraw/zinc/94/77/09/1245947709.db2.gz HYSKJHQWYFOMIS-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000940286982 1246261712 /nfs/dbraw/zinc/26/17/12/1246261712.db2.gz CAQWCYKPRWVFMY-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940286982 1246261719 /nfs/dbraw/zinc/26/17/19/1246261719.db2.gz CAQWCYKPRWVFMY-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CCN3CCOCC3)CC2)CC[N@H+]1C ZINC000941216575 1246503322 /nfs/dbraw/zinc/50/33/22/1246503322.db2.gz VOMUKAWMKGZQEJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000941216575 1246503328 /nfs/dbraw/zinc/50/33/28/1246503328.db2.gz VOMUKAWMKGZQEJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000941216575 1246503333 /nfs/dbraw/zinc/50/33/33/1246503333.db2.gz VOMUKAWMKGZQEJ-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000941278787 1246541266 /nfs/dbraw/zinc/54/12/66/1246541266.db2.gz XSXUYWNFDRLVIN-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000941278787 1246541273 /nfs/dbraw/zinc/54/12/73/1246541273.db2.gz XSXUYWNFDRLVIN-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000941278787 1246541282 /nfs/dbraw/zinc/54/12/82/1246541282.db2.gz XSXUYWNFDRLVIN-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000941278787 1246541287 /nfs/dbraw/zinc/54/12/87/1246541287.db2.gz XSXUYWNFDRLVIN-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941871685 1246881124 /nfs/dbraw/zinc/88/11/24/1246881124.db2.gz VBRXCTRNWVNNQR-BFYDXBDKSA-N 2 1 365.478 0.120 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000994239122 1250308289 /nfs/dbraw/zinc/30/82/89/1250308289.db2.gz IJGKJVPJSWUFEW-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000945386717 1247740324 /nfs/dbraw/zinc/74/03/24/1247740324.db2.gz FNOKWUTVZTYUKP-TWMKSMIVSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000974876220 1248160051 /nfs/dbraw/zinc/16/00/51/1248160051.db2.gz VWLYKZZPQMMPPD-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000976866516 1248435960 /nfs/dbraw/zinc/43/59/60/1248435960.db2.gz DDYAVEWZMUQDPV-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000976866516 1248435966 /nfs/dbraw/zinc/43/59/66/1248435966.db2.gz DDYAVEWZMUQDPV-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000976866516 1248435971 /nfs/dbraw/zinc/43/59/71/1248435971.db2.gz DDYAVEWZMUQDPV-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335258 1250386025 /nfs/dbraw/zinc/38/60/25/1250386025.db2.gz JAWJLNNHYVRDLH-IXDOHACOSA-N 2 1 362.518 0.635 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@H+]1C ZINC000995823257 1250993047 /nfs/dbraw/zinc/99/30/47/1250993047.db2.gz DYKCELRGQCGDSB-BFHYXJOUSA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nnnn3C3CC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828757 1250997232 /nfs/dbraw/zinc/99/72/32/1250997232.db2.gz ZZYFQRUMTVKEFJ-YUELXQCFSA-N 2 1 361.494 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nnnn3C3CC3)C(C)(C)C2)CC[N@H+]1C ZINC000995828757 1250997239 /nfs/dbraw/zinc/99/72/39/1250997239.db2.gz ZZYFQRUMTVKEFJ-YUELXQCFSA-N 2 1 361.494 0.675 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995843317 1251004387 /nfs/dbraw/zinc/00/43/87/1251004387.db2.gz WKPMTCLRAJIUHL-XHSDSOJGSA-N 2 1 365.522 0.569 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC000996572813 1251391047 /nfs/dbraw/zinc/39/10/47/1251391047.db2.gz PHMQEXYYDXXHOB-IKGGRYGDSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000996719303 1251424600 /nfs/dbraw/zinc/42/46/00/1251424600.db2.gz JGVMVSXMSAIKQZ-OWSLCNJRSA-N 2 1 371.485 0.781 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cncn2)CC1 ZINC000997637006 1251646997 /nfs/dbraw/zinc/64/69/97/1251646997.db2.gz VGTWMWDNKDFHHO-HLLBOEOZSA-N 2 1 364.494 0.214 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cncn2)CC1 ZINC000997637006 1251647010 /nfs/dbraw/zinc/64/70/10/1251647010.db2.gz VGTWMWDNKDFHHO-HLLBOEOZSA-N 2 1 364.494 0.214 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC000998467528 1251890271 /nfs/dbraw/zinc/89/02/71/1251890271.db2.gz XCBGDCGVZABLQQ-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC000998467528 1251890293 /nfs/dbraw/zinc/89/02/93/1251890293.db2.gz XCBGDCGVZABLQQ-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998658148 1251944216 /nfs/dbraw/zinc/94/42/16/1251944216.db2.gz JWZQOIQZPUJVLK-YVSFHVDLSA-N 2 1 360.502 0.672 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998792153 1251967970 /nfs/dbraw/zinc/96/79/70/1251967970.db2.gz UMRSJXBPELVOSF-PRLABOORSA-N 2 1 363.510 0.892 20 0 FCADMP CCCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998792153 1251967974 /nfs/dbraw/zinc/96/79/74/1251967974.db2.gz UMRSJXBPELVOSF-PRLABOORSA-N 2 1 363.510 0.892 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC000998793660 1251968711 /nfs/dbraw/zinc/96/87/11/1251968711.db2.gz KWMVZQPOJAQDSP-DISOXQEGSA-N 2 1 361.494 0.817 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC000998793660 1251968713 /nfs/dbraw/zinc/96/87/13/1251968713.db2.gz KWMVZQPOJAQDSP-DISOXQEGSA-N 2 1 361.494 0.817 20 0 FCADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000998983675 1252015326 /nfs/dbraw/zinc/01/53/26/1252015326.db2.gz PTOPEHOPIKIGLT-AGERRDQYSA-N 2 1 363.506 0.744 20 0 FCADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000998983675 1252015335 /nfs/dbraw/zinc/01/53/35/1252015335.db2.gz PTOPEHOPIKIGLT-AGERRDQYSA-N 2 1 363.506 0.744 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001001698211 1252310137 /nfs/dbraw/zinc/31/01/37/1252310137.db2.gz JUOPBVLLESJJMF-NCOADZHNSA-N 2 1 360.502 0.957 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002461455 1252564203 /nfs/dbraw/zinc/56/42/03/1252564203.db2.gz PUWXJKDPRNDMCK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002461455 1252564212 /nfs/dbraw/zinc/56/42/12/1252564212.db2.gz PUWXJKDPRNDMCK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002461455 1252564219 /nfs/dbraw/zinc/56/42/19/1252564219.db2.gz PUWXJKDPRNDMCK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002461455 1252564226 /nfs/dbraw/zinc/56/42/26/1252564226.db2.gz PUWXJKDPRNDMCK-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC001002795243 1252678629 /nfs/dbraw/zinc/67/86/29/1252678629.db2.gz LTSQKUPYIRAESY-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002843916 1252703363 /nfs/dbraw/zinc/70/33/63/1252703363.db2.gz AXYDMWGNTZRTLC-XKQJLSEDSA-N 2 1 366.506 0.188 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001002881116 1252726947 /nfs/dbraw/zinc/72/69/47/1252726947.db2.gz WOYJVXQHPMXMIH-NVXWUHKLSA-N 2 1 366.506 0.012 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001002881116 1252726953 /nfs/dbraw/zinc/72/69/53/1252726953.db2.gz WOYJVXQHPMXMIH-NVXWUHKLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)CC[N@H+]1C ZINC001003748236 1253090222 /nfs/dbraw/zinc/09/02/22/1253090222.db2.gz AIDQEUNRTITLFL-FGTAOJJYSA-N 2 1 362.518 0.917 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001004360304 1253295841 /nfs/dbraw/zinc/29/58/41/1253295841.db2.gz KRPSREJRKYNTNW-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001004360304 1253295859 /nfs/dbraw/zinc/29/58/59/1253295859.db2.gz KRPSREJRKYNTNW-VQHPVUNQSA-N 2 1 359.474 0.781 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004390645 1253312469 /nfs/dbraw/zinc/31/24/69/1253312469.db2.gz JWZQOIQZPUJVLK-HZMVEIRTSA-N 2 1 360.502 0.672 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1)[NH+](C)C ZINC001022159578 1253791522 /nfs/dbraw/zinc/79/15/22/1253791522.db2.gz ZMHHKGUUCXSZBM-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022174324 1253798740 /nfs/dbraw/zinc/79/87/40/1253798740.db2.gz CQIUQVGXIUPVAB-DLBZAZTESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022175064 1253802658 /nfs/dbraw/zinc/80/26/58/1253802658.db2.gz NXFRZIWUUPXHTP-OKZBNKHCSA-N 2 1 371.485 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001031681277 1253885539 /nfs/dbraw/zinc/88/55/39/1253885539.db2.gz LNIYWNVUWSEDBW-UKRRQHHQSA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001031681277 1253885550 /nfs/dbraw/zinc/88/55/50/1253885550.db2.gz LNIYWNVUWSEDBW-UKRRQHHQSA-N 2 1 363.510 0.359 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cc3ccccc3)C2)O1 ZINC001031765847 1253893299 /nfs/dbraw/zinc/89/32/99/1253893299.db2.gz RMLZDMZLHXWVMG-AYOQOUSVSA-N 2 1 361.486 0.357 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cc3ccccc3)C2)O1 ZINC001031765847 1253893303 /nfs/dbraw/zinc/89/33/03/1253893303.db2.gz RMLZDMZLHXWVMG-AYOQOUSVSA-N 2 1 361.486 0.357 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001031994286 1253913845 /nfs/dbraw/zinc/91/38/45/1253913845.db2.gz VAYRTYUDSLFDIN-MOPGFXCFSA-N 2 1 368.485 0.672 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001329568613 1265784435 /nfs/dbraw/zinc/78/44/35/1265784435.db2.gz JTEYUUQPUCYJKS-OALUTQOASA-N 2 1 370.501 0.163 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C[N@H+]1C1CC1 ZINC001329645421 1265798268 /nfs/dbraw/zinc/79/82/68/1265798268.db2.gz SLEQEHVVZLCDDP-PMPSAXMXSA-N 2 1 373.501 0.943 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001034271271 1253984774 /nfs/dbraw/zinc/98/47/74/1253984774.db2.gz GMJMZZSKFDAVMW-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001034271271 1253984783 /nfs/dbraw/zinc/98/47/83/1253984783.db2.gz GMJMZZSKFDAVMW-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCc3cnn(C)c3)C2)O1 ZINC001034271271 1253984798 /nfs/dbraw/zinc/98/47/98/1253984798.db2.gz GMJMZZSKFDAVMW-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCc3cnn(C)c3)C2)O1 ZINC001034271271 1253984809 /nfs/dbraw/zinc/98/48/09/1253984809.db2.gz GMJMZZSKFDAVMW-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)O1 ZINC001034273348 1253984970 /nfs/dbraw/zinc/98/49/70/1253984970.db2.gz PVALDIDTTLWHIC-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)O1 ZINC001034273348 1253984979 /nfs/dbraw/zinc/98/49/79/1253984979.db2.gz PVALDIDTTLWHIC-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CCc3ccnn3C)C2)O1 ZINC001034273348 1253984988 /nfs/dbraw/zinc/98/49/88/1253984988.db2.gz PVALDIDTTLWHIC-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCc3ccnn3C)C2)O1 ZINC001034273348 1253985005 /nfs/dbraw/zinc/98/50/05/1253985005.db2.gz PVALDIDTTLWHIC-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)NC4CC4)C3)CC2)CC[N@H+]1C ZINC001035187372 1254018833 /nfs/dbraw/zinc/01/88/33/1254018833.db2.gz VTYLLIVBPVWWSG-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CC(=O)NC4CC4)C3)CC2)CC[NH+]1C ZINC001035187372 1254018839 /nfs/dbraw/zinc/01/88/39/1254018839.db2.gz VTYLLIVBPVWWSG-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CC(=O)NC4CC4)C3)CC2)CC[NH+]1C ZINC001035187372 1254018849 /nfs/dbraw/zinc/01/88/49/1254018849.db2.gz VTYLLIVBPVWWSG-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@@H]4CCCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035186338 1254020494 /nfs/dbraw/zinc/02/04/94/1254020494.db2.gz ARCKBXMCUHUFBW-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+]([C@@H]4CCCNC4=O)C3)CC2)CC[NH+]1C ZINC001035186338 1254020501 /nfs/dbraw/zinc/02/05/01/1254020501.db2.gz ARCKBXMCUHUFBW-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+]([C@@H]4CCCNC4=O)C3)CC2)CC[NH+]1C ZINC001035186338 1254020510 /nfs/dbraw/zinc/02/05/10/1254020510.db2.gz ARCKBXMCUHUFBW-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)O1 ZINC001061041549 1254157328 /nfs/dbraw/zinc/15/73/28/1254157328.db2.gz ZYOVVEOWFBPZKY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)O1 ZINC001061041549 1254157337 /nfs/dbraw/zinc/15/73/37/1254157337.db2.gz ZYOVVEOWFBPZKY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063451391 1254341386 /nfs/dbraw/zinc/34/13/86/1254341386.db2.gz XFBZDESDKWFXAC-HUUCEWRRSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063451391 1254341395 /nfs/dbraw/zinc/34/13/95/1254341395.db2.gz XFBZDESDKWFXAC-HUUCEWRRSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063451391 1254341401 /nfs/dbraw/zinc/34/14/01/1254341401.db2.gz XFBZDESDKWFXAC-HUUCEWRRSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063451391 1254341406 /nfs/dbraw/zinc/34/14/06/1254341406.db2.gz XFBZDESDKWFXAC-HUUCEWRRSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[C@H](C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063850063 1254395509 /nfs/dbraw/zinc/39/55/09/1254395509.db2.gz ZAANOVXIDBTTOU-BZUAXINKSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[C@H](C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063850063 1254395517 /nfs/dbraw/zinc/39/55/17/1254395517.db2.gz ZAANOVXIDBTTOU-BZUAXINKSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001520192003 1265872540 /nfs/dbraw/zinc/87/25/40/1265872540.db2.gz PFVMOAJWWDUROG-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065540143 1254546690 /nfs/dbraw/zinc/54/66/90/1254546690.db2.gz MJQZWIUKSYPSLZ-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440517 1254664381 /nfs/dbraw/zinc/66/43/81/1254664381.db2.gz OMNATYOCVYAFOL-QRVBRYPASA-N 2 1 365.518 0.839 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077585086 1254739245 /nfs/dbraw/zinc/73/92/45/1254739245.db2.gz QSBCDAHPMCNVGZ-CGTJXYLNSA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077585086 1254739259 /nfs/dbraw/zinc/73/92/59/1254739259.db2.gz QSBCDAHPMCNVGZ-CGTJXYLNSA-N 2 1 362.474 0.342 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777323 1254978157 /nfs/dbraw/zinc/97/81/57/1254978157.db2.gz HPAHUVPIAPXWQI-KBAYOESNSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777323 1254978161 /nfs/dbraw/zinc/97/81/61/1254978161.db2.gz HPAHUVPIAPXWQI-KBAYOESNSA-N 2 1 363.506 0.388 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001077779196 1254980107 /nfs/dbraw/zinc/98/01/07/1254980107.db2.gz GNUOZIAODGNQOY-QZTJIDSGSA-N 2 1 363.506 0.393 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077778589 1254981381 /nfs/dbraw/zinc/98/13/81/1254981381.db2.gz RQHFQBXRAFDDBU-GUDVDZBRSA-N 2 1 367.534 0.821 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cc1 ZINC001077817208 1255019336 /nfs/dbraw/zinc/01/93/36/1255019336.db2.gz SNOSAXBKZFSFPN-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cc1 ZINC001077817208 1255019345 /nfs/dbraw/zinc/01/93/45/1255019345.db2.gz SNOSAXBKZFSFPN-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001077906465 1255086935 /nfs/dbraw/zinc/08/69/35/1255086935.db2.gz JOVNJIDCTNRSNS-BRWVUGGUSA-N 2 1 359.430 0.467 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001077906465 1255086944 /nfs/dbraw/zinc/08/69/44/1255086944.db2.gz JOVNJIDCTNRSNS-BRWVUGGUSA-N 2 1 359.430 0.467 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077970931 1255134334 /nfs/dbraw/zinc/13/43/34/1255134334.db2.gz JGIFVCRLZCTVNP-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077970931 1255134339 /nfs/dbraw/zinc/13/43/39/1255134339.db2.gz JGIFVCRLZCTVNP-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077970931 1255134344 /nfs/dbraw/zinc/13/43/44/1255134344.db2.gz JGIFVCRLZCTVNP-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077970931 1255134352 /nfs/dbraw/zinc/13/43/52/1255134352.db2.gz JGIFVCRLZCTVNP-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C ZINC001078011993 1255169452 /nfs/dbraw/zinc/16/94/52/1255169452.db2.gz QLRCNSZZIGOWMA-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C ZINC001078011993 1255169459 /nfs/dbraw/zinc/16/94/59/1255169459.db2.gz QLRCNSZZIGOWMA-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001078018385 1255175524 /nfs/dbraw/zinc/17/55/24/1255175524.db2.gz YZIVKMPZRGNZAF-WOVHFWOGSA-N 2 1 362.474 0.738 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001078018385 1255175531 /nfs/dbraw/zinc/17/55/31/1255175531.db2.gz YZIVKMPZRGNZAF-WOVHFWOGSA-N 2 1 362.474 0.738 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078403754 1255407555 /nfs/dbraw/zinc/40/75/55/1255407555.db2.gz HSIUQYOMWMFRSI-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079198898 1255471054 /nfs/dbraw/zinc/47/10/54/1255471054.db2.gz XSQZGPWELCGDSM-XOKHGSTOSA-N 2 1 362.449 0.679 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079206008 1255471628 /nfs/dbraw/zinc/47/16/28/1255471628.db2.gz QILMKUPMJOHFNU-XOKHGSTOSA-N 2 1 362.449 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243186 1255485026 /nfs/dbraw/zinc/48/50/26/1255485026.db2.gz QHGNYPXLOKGYKX-ZJPYXAASSA-N 2 1 365.518 0.648 20 0 FCADMP C[N@@H+](CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001079246167 1255486054 /nfs/dbraw/zinc/48/60/54/1255486054.db2.gz TUGMUUQXTUMQRR-ZWKOTPCHSA-N 2 1 365.518 0.793 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079321921 1255507392 /nfs/dbraw/zinc/50/73/92/1255507392.db2.gz GIBNAGXFFHPMIP-JQHSSLGASA-N 2 1 365.449 0.423 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079321921 1255507395 /nfs/dbraw/zinc/50/73/95/1255507395.db2.gz GIBNAGXFFHPMIP-JQHSSLGASA-N 2 1 365.449 0.423 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135186 1255756327 /nfs/dbraw/zinc/75/63/27/1255756327.db2.gz VJXBXHNBXLHFAV-CZUORRHYSA-N 2 1 356.430 0.410 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324815 1255842332 /nfs/dbraw/zinc/84/23/32/1255842332.db2.gz DVCMMLZBPZXYQD-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324815 1255842345 /nfs/dbraw/zinc/84/23/45/1255842345.db2.gz DVCMMLZBPZXYQD-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324815 1255842354 /nfs/dbraw/zinc/84/23/54/1255842354.db2.gz DVCMMLZBPZXYQD-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324815 1255842362 /nfs/dbraw/zinc/84/23/62/1255842362.db2.gz DVCMMLZBPZXYQD-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754134 1256019476 /nfs/dbraw/zinc/01/94/76/1256019476.db2.gz AMQLJTPTXGTUDY-OLMNPRSZSA-N 2 1 362.518 0.824 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2c2ccccc2)nn1 ZINC001081097886 1256177190 /nfs/dbraw/zinc/17/71/90/1256177190.db2.gz KEMMASJRYYORPM-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2c2ccccc2)nn1 ZINC001081097886 1256177193 /nfs/dbraw/zinc/17/71/93/1256177193.db2.gz KEMMASJRYYORPM-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001081226703 1256211599 /nfs/dbraw/zinc/21/15/99/1256211599.db2.gz GKIBWRUNTAULGE-CEXWTWQISA-N 2 1 370.497 0.755 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081669987 1256328282 /nfs/dbraw/zinc/32/82/82/1256328282.db2.gz ABEBVIMEGMHPOA-RCCFBDPRSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081669987 1256328291 /nfs/dbraw/zinc/32/82/91/1256328291.db2.gz ABEBVIMEGMHPOA-RCCFBDPRSA-N 2 1 362.474 0.949 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082089458 1256530400 /nfs/dbraw/zinc/53/04/00/1256530400.db2.gz CVWFPOIMJMTQMA-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082089458 1256530406 /nfs/dbraw/zinc/53/04/06/1256530406.db2.gz CVWFPOIMJMTQMA-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135354 1256553522 /nfs/dbraw/zinc/55/35/22/1256553522.db2.gz ZLJYULSCVDNAKH-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135354 1256553528 /nfs/dbraw/zinc/55/35/28/1256553528.db2.gz ZLJYULSCVDNAKH-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135354 1256553535 /nfs/dbraw/zinc/55/35/35/1256553535.db2.gz ZLJYULSCVDNAKH-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135354 1256553538 /nfs/dbraw/zinc/55/35/38/1256553538.db2.gz ZLJYULSCVDNAKH-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159647 1256568811 /nfs/dbraw/zinc/56/88/11/1256568811.db2.gz HMWNFVZAEUSMLJ-FCGDIQPGSA-N 2 1 361.486 0.794 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159647 1256568812 /nfs/dbraw/zinc/56/88/12/1256568812.db2.gz HMWNFVZAEUSMLJ-FCGDIQPGSA-N 2 1 361.486 0.794 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159647 1256568816 /nfs/dbraw/zinc/56/88/16/1256568816.db2.gz HMWNFVZAEUSMLJ-FCGDIQPGSA-N 2 1 361.486 0.794 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001082179208 1256576260 /nfs/dbraw/zinc/57/62/60/1256576260.db2.gz WMSAMGKHJRLXPJ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082290461 1256636715 /nfs/dbraw/zinc/63/67/15/1256636715.db2.gz AGRDJDDJCWOWPL-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082290461 1256636720 /nfs/dbraw/zinc/63/67/20/1256636720.db2.gz AGRDJDDJCWOWPL-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082290461 1256636723 /nfs/dbraw/zinc/63/67/23/1256636723.db2.gz AGRDJDDJCWOWPL-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082290461 1256636730 /nfs/dbraw/zinc/63/67/30/1256636730.db2.gz AGRDJDDJCWOWPL-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326481 1256665877 /nfs/dbraw/zinc/66/58/77/1256665877.db2.gz FNUHQHBERWFYAX-GUDVDZBRSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326481 1256665885 /nfs/dbraw/zinc/66/58/85/1256665885.db2.gz FNUHQHBERWFYAX-GUDVDZBRSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326481 1256665892 /nfs/dbraw/zinc/66/58/92/1256665892.db2.gz FNUHQHBERWFYAX-GUDVDZBRSA-N 2 1 361.486 0.836 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)co1 ZINC001082517855 1256800146 /nfs/dbraw/zinc/80/01/46/1256800146.db2.gz KKYTZVJCHQTZDY-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)nc1 ZINC001082517919 1256801933 /nfs/dbraw/zinc/80/19/33/1256801933.db2.gz ORVXGZAFYXUZPE-NVXWUHKLSA-N 2 1 371.489 0.793 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082647741 1256951886 /nfs/dbraw/zinc/95/18/86/1256951886.db2.gz DVCDJYLRPDFEEH-VNQPRFMTSA-N 2 1 359.474 0.429 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)no1 ZINC001082653434 1256956739 /nfs/dbraw/zinc/95/67/39/1256956739.db2.gz KMZUJUHBDNOYEJ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)no1 ZINC001082653434 1256956745 /nfs/dbraw/zinc/95/67/45/1256956745.db2.gz KMZUJUHBDNOYEJ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082653585 1256956920 /nfs/dbraw/zinc/95/69/20/1256956920.db2.gz SFZBHWPPTNVEHN-QCZOYZIOSA-N 2 1 359.474 0.183 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)nc1 ZINC001082653286 1256957378 /nfs/dbraw/zinc/95/73/78/1256957378.db2.gz DDFNDRCRRMYUKP-OHDZGACESA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)nc1 ZINC001082653286 1256957383 /nfs/dbraw/zinc/95/73/83/1256957383.db2.gz DDFNDRCRRMYUKP-OHDZGACESA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703426 1256994220 /nfs/dbraw/zinc/99/42/20/1256994220.db2.gz TUGGGVZMAUBGJO-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)cn1 ZINC001082703426 1256994224 /nfs/dbraw/zinc/99/42/24/1256994224.db2.gz TUGGGVZMAUBGJO-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001082783826 1257047640 /nfs/dbraw/zinc/04/76/40/1257047640.db2.gz QYMMLQKIXFCVQN-GDBMZVCRSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082784385 1257048267 /nfs/dbraw/zinc/04/82/67/1257048267.db2.gz SZJNPAVMZHYWCS-CZUORRHYSA-N 2 1 361.494 0.676 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083750137 1257489547 /nfs/dbraw/zinc/48/95/47/1257489547.db2.gz HKYFUQNMLLXFRQ-SQNIBIBYSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083750137 1257489552 /nfs/dbraw/zinc/48/95/52/1257489552.db2.gz HKYFUQNMLLXFRQ-SQNIBIBYSA-N 2 1 365.449 0.362 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780856 1257523646 /nfs/dbraw/zinc/52/36/46/1257523646.db2.gz MWCGFZAUGKRICS-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780856 1257523654 /nfs/dbraw/zinc/52/36/54/1257523654.db2.gz MWCGFZAUGKRICS-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780856 1257523658 /nfs/dbraw/zinc/52/36/58/1257523658.db2.gz MWCGFZAUGKRICS-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780856 1257523661 /nfs/dbraw/zinc/52/36/61/1257523661.db2.gz MWCGFZAUGKRICS-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001084056733 1257867678 /nfs/dbraw/zinc/86/76/78/1257867678.db2.gz LIBRKCNCAVYZKY-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001084056733 1257867687 /nfs/dbraw/zinc/86/76/87/1257867687.db2.gz LIBRKCNCAVYZKY-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001084056733 1257867697 /nfs/dbraw/zinc/86/76/97/1257867697.db2.gz LIBRKCNCAVYZKY-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001084056733 1257867708 /nfs/dbraw/zinc/86/77/08/1257867708.db2.gz LIBRKCNCAVYZKY-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057663 1257871145 /nfs/dbraw/zinc/87/11/45/1257871145.db2.gz VZAUMDFOXYSZLW-MSOLQXFVSA-N 2 1 361.486 0.885 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057663 1257871152 /nfs/dbraw/zinc/87/11/52/1257871152.db2.gz VZAUMDFOXYSZLW-MSOLQXFVSA-N 2 1 361.486 0.885 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001084090765 1257915052 /nfs/dbraw/zinc/91/50/52/1257915052.db2.gz HGWMTZMHSDTWQO-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084338635 1258032509 /nfs/dbraw/zinc/03/25/09/1258032509.db2.gz ZOGDUINFSKRODR-BRWVUGGUSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084338635 1258032519 /nfs/dbraw/zinc/03/25/19/1258032519.db2.gz ZOGDUINFSKRODR-BRWVUGGUSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084338635 1258032528 /nfs/dbraw/zinc/03/25/28/1258032528.db2.gz ZOGDUINFSKRODR-BRWVUGGUSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084338635 1258032537 /nfs/dbraw/zinc/03/25/37/1258032537.db2.gz ZOGDUINFSKRODR-BRWVUGGUSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001084347567 1258041756 /nfs/dbraw/zinc/04/17/56/1258041756.db2.gz VMWZGDNLDYSPGJ-GUDVDZBRSA-N 2 1 357.502 0.837 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084347586 1258041963 /nfs/dbraw/zinc/04/19/63/1258041963.db2.gz WXNJHSMNTHHKGV-FGTMMUONSA-N 2 1 360.502 0.483 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001084357303 1258047624 /nfs/dbraw/zinc/04/76/24/1258047624.db2.gz TYNKFQWFEIWFQD-YYIAUSFCSA-N 2 1 363.506 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001084357303 1258047632 /nfs/dbraw/zinc/04/76/32/1258047632.db2.gz TYNKFQWFEIWFQD-YYIAUSFCSA-N 2 1 363.506 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001084357303 1258047641 /nfs/dbraw/zinc/04/76/41/1258047641.db2.gz TYNKFQWFEIWFQD-YYIAUSFCSA-N 2 1 363.506 0.275 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CCC1 ZINC001084404023 1258083450 /nfs/dbraw/zinc/08/34/50/1258083450.db2.gz OHGPGTNMKZSVJT-OWCLPIDISA-N 2 1 358.490 0.782 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001084410095 1258087472 /nfs/dbraw/zinc/08/74/72/1258087472.db2.gz XSCWLUVUEMESOJ-GDBMZVCRSA-N 2 1 362.474 0.152 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001084410095 1258087479 /nfs/dbraw/zinc/08/74/79/1258087479.db2.gz XSCWLUVUEMESOJ-GDBMZVCRSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001084410095 1258087488 /nfs/dbraw/zinc/08/74/88/1258087488.db2.gz XSCWLUVUEMESOJ-GDBMZVCRSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001084410095 1258087497 /nfs/dbraw/zinc/08/74/97/1258087497.db2.gz XSCWLUVUEMESOJ-GDBMZVCRSA-N 2 1 362.474 0.152 20 0 FCADMP Cc1c(C(=O)NOCC[NH+](C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001331184667 1266165447 /nfs/dbraw/zinc/16/54/47/1266165447.db2.gz NJHHQBUCFHLAGH-UHFFFAOYSA-N 2 1 358.446 0.787 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001084629437 1258209708 /nfs/dbraw/zinc/20/97/08/1258209708.db2.gz XPADFZOQMYEWHA-QZTJIDSGSA-N 2 1 360.506 0.769 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084723306 1258267255 /nfs/dbraw/zinc/26/72/55/1258267255.db2.gz CDZGMXSMUGHXCM-KZNAEPCWSA-N 2 1 356.470 0.783 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084723306 1258267261 /nfs/dbraw/zinc/26/72/61/1258267261.db2.gz CDZGMXSMUGHXCM-KZNAEPCWSA-N 2 1 356.470 0.783 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001084738881 1258280351 /nfs/dbraw/zinc/28/03/51/1258280351.db2.gz GYXQASZKBGASQB-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001084738881 1258280354 /nfs/dbraw/zinc/28/03/54/1258280354.db2.gz GYXQASZKBGASQB-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084752073 1258289838 /nfs/dbraw/zinc/28/98/38/1258289838.db2.gz RMQKEYUWHRGVIM-FGTMMUONSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084752073 1258289844 /nfs/dbraw/zinc/28/98/44/1258289844.db2.gz RMQKEYUWHRGVIM-FGTMMUONSA-N 2 1 362.518 0.870 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001084773071 1258314107 /nfs/dbraw/zinc/31/41/07/1258314107.db2.gz BKDNDVZMMMAYOL-KBAYOESNSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084773071 1258314116 /nfs/dbraw/zinc/31/41/16/1258314116.db2.gz BKDNDVZMMMAYOL-KBAYOESNSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084773071 1258314129 /nfs/dbraw/zinc/31/41/29/1258314129.db2.gz BKDNDVZMMMAYOL-KBAYOESNSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1=O ZINC001084777544 1258319212 /nfs/dbraw/zinc/31/92/12/1258319212.db2.gz CDLIBDURTDDCHX-IAGOWNOFSA-N 2 1 356.470 0.514 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905953 1258428975 /nfs/dbraw/zinc/42/89/75/1258428975.db2.gz UYSNTZONHCEHDN-PMPSAXMXSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905953 1258428980 /nfs/dbraw/zinc/42/89/80/1258428980.db2.gz UYSNTZONHCEHDN-PMPSAXMXSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905953 1258428984 /nfs/dbraw/zinc/42/89/84/1258428984.db2.gz UYSNTZONHCEHDN-PMPSAXMXSA-N 2 1 362.474 0.152 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941517 1258453997 /nfs/dbraw/zinc/45/39/97/1258453997.db2.gz NATUKMANRSMVDS-NJAFHUGGSA-N 2 1 358.490 0.580 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941517 1258454001 /nfs/dbraw/zinc/45/40/01/1258454001.db2.gz NATUKMANRSMVDS-NJAFHUGGSA-N 2 1 358.490 0.580 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944055 1258455667 /nfs/dbraw/zinc/45/56/67/1258455667.db2.gz PMVVABYZTXHDBF-VQHPVUNQSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944055 1258455669 /nfs/dbraw/zinc/45/56/69/1258455669.db2.gz PMVVABYZTXHDBF-VQHPVUNQSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944055 1258455673 /nfs/dbraw/zinc/45/56/73/1258455673.db2.gz PMVVABYZTXHDBF-VQHPVUNQSA-N 2 1 363.506 0.275 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1)[NH+](C)C ZINC001084970358 1258482437 /nfs/dbraw/zinc/48/24/37/1258482437.db2.gz BMEDPYJNPLXDSO-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033202 1258534603 /nfs/dbraw/zinc/53/46/03/1258534603.db2.gz VOXYRUCHGIDCRN-VCBZYWHSSA-N 2 1 368.497 0.868 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033202 1258534609 /nfs/dbraw/zinc/53/46/09/1258534609.db2.gz VOXYRUCHGIDCRN-VCBZYWHSSA-N 2 1 368.497 0.868 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033202 1258534614 /nfs/dbraw/zinc/53/46/14/1258534614.db2.gz VOXYRUCHGIDCRN-VCBZYWHSSA-N 2 1 368.497 0.868 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033202 1258534619 /nfs/dbraw/zinc/53/46/19/1258534619.db2.gz VOXYRUCHGIDCRN-VCBZYWHSSA-N 2 1 368.497 0.868 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1)[NH+](C)C ZINC001085035609 1258537737 /nfs/dbraw/zinc/53/77/37/1258537737.db2.gz HMSSZKBURUFOSB-PMPSAXMXSA-N 2 1 364.490 0.398 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085062617 1258557484 /nfs/dbraw/zinc/55/74/84/1258557484.db2.gz HWTQKOXWUFPUBT-MSOLQXFVSA-N 2 1 360.506 0.933 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076268 1258571436 /nfs/dbraw/zinc/57/14/36/1258571436.db2.gz VOHZZIAFPZUTGZ-WBVHZDCISA-N 2 1 358.490 0.817 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076268 1258571439 /nfs/dbraw/zinc/57/14/39/1258571439.db2.gz VOHZZIAFPZUTGZ-WBVHZDCISA-N 2 1 358.490 0.817 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001085093867 1258588760 /nfs/dbraw/zinc/58/87/60/1258588760.db2.gz HYMRFAKNJCIDKH-WBVHZDCISA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001085093867 1258588767 /nfs/dbraw/zinc/58/87/67/1258588767.db2.gz HYMRFAKNJCIDKH-WBVHZDCISA-N 2 1 359.474 0.735 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001085203790 1258629656 /nfs/dbraw/zinc/62/96/56/1258629656.db2.gz BUEBFQQUMAZIAM-QBPKDAKJSA-N 2 1 366.506 0.202 20 0 FCADMP Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140669 1258652942 /nfs/dbraw/zinc/65/29/42/1258652942.db2.gz XWJWUSIVFGGSEJ-SJORKVTESA-N 2 1 361.490 0.423 20 0 FCADMP Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140669 1258652948 /nfs/dbraw/zinc/65/29/48/1258652948.db2.gz XWJWUSIVFGGSEJ-SJORKVTESA-N 2 1 361.490 0.423 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171812 1258689325 /nfs/dbraw/zinc/68/93/25/1258689325.db2.gz IEOMQRMUVPJDOH-CVEARBPZSA-N 2 1 358.490 0.674 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171812 1258689332 /nfs/dbraw/zinc/68/93/32/1258689332.db2.gz IEOMQRMUVPJDOH-CVEARBPZSA-N 2 1 358.490 0.674 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088172978 1258692527 /nfs/dbraw/zinc/69/25/27/1258692527.db2.gz MTPRXALMFUUARN-RVKKMQEKSA-N 2 1 371.485 0.820 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088172979 1258693837 /nfs/dbraw/zinc/69/38/37/1258693837.db2.gz MTPRXALMFUUARN-VKJFTORMSA-N 2 1 371.485 0.820 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088201696 1258724916 /nfs/dbraw/zinc/72/49/16/1258724916.db2.gz PQUZPOAWPIUKSK-CVEARBPZSA-N 2 1 362.474 0.012 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212875 1258737532 /nfs/dbraw/zinc/73/75/32/1258737532.db2.gz YIVRPUCUMJHCBY-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212875 1258737539 /nfs/dbraw/zinc/73/75/39/1258737539.db2.gz YIVRPUCUMJHCBY-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212875 1258737544 /nfs/dbraw/zinc/73/75/44/1258737544.db2.gz YIVRPUCUMJHCBY-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416405 1258758597 /nfs/dbraw/zinc/75/85/97/1258758597.db2.gz LPBHLMQVNLPIFO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416405 1258758599 /nfs/dbraw/zinc/75/85/99/1258758599.db2.gz LPBHLMQVNLPIFO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416405 1258758601 /nfs/dbraw/zinc/75/86/01/1258758601.db2.gz LPBHLMQVNLPIFO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)CC(C)(C)C2)O1 ZINC001089416405 1258758603 /nfs/dbraw/zinc/75/86/03/1258758603.db2.gz LPBHLMQVNLPIFO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC4CC4)nn3)C2)O1 ZINC001089588669 1258760245 /nfs/dbraw/zinc/76/02/45/1258760245.db2.gz PVQUYGXTAWCDDO-KBRIMQKVSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CC4CC4)nn3)C2)O1 ZINC001089588669 1258760249 /nfs/dbraw/zinc/76/02/49/1258760249.db2.gz PVQUYGXTAWCDDO-KBRIMQKVSA-N 2 1 362.478 0.270 20 0 FCADMP [NH3+]C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427625 1266214027 /nfs/dbraw/zinc/21/40/27/1266214027.db2.gz VFRDFHOMJLUZTB-RBUKOAKNSA-N 2 1 360.502 0.642 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722277 1258817482 /nfs/dbraw/zinc/81/74/82/1258817482.db2.gz XKAWHHNLOACIRI-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722277 1258817490 /nfs/dbraw/zinc/81/74/90/1258817490.db2.gz XKAWHHNLOACIRI-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092772656 1258838326 /nfs/dbraw/zinc/83/83/26/1258838326.db2.gz AATKXQNKVLOSAG-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666691 1258937036 /nfs/dbraw/zinc/93/70/36/1258937036.db2.gz QURXOIHULGNEBQ-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765774 1258958232 /nfs/dbraw/zinc/95/82/32/1258958232.db2.gz UAHRJJGKUFVQBJ-KURKYZTESA-N 2 1 371.522 0.180 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106810550 1258967991 /nfs/dbraw/zinc/96/79/91/1258967991.db2.gz FIFMEIKNWKAUCF-QLFBSQMISA-N 2 1 370.457 0.700 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106839460 1258973659 /nfs/dbraw/zinc/97/36/59/1258973659.db2.gz JGVOQZZRQJKHTR-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC001106840196 1258974172 /nfs/dbraw/zinc/97/41/72/1258974172.db2.gz CUUSRZBNHKFDMN-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106874595 1258984863 /nfs/dbraw/zinc/98/48/63/1258984863.db2.gz LUGYHGOZCJTOCZ-OWCLPIDISA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106874666 1258985214 /nfs/dbraw/zinc/98/52/14/1258985214.db2.gz OTLNKHRGNKMPJG-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106874594 1258985285 /nfs/dbraw/zinc/98/52/85/1258985285.db2.gz LUGYHGOZCJTOCZ-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106905278 1258992565 /nfs/dbraw/zinc/99/25/65/1258992565.db2.gz IJQPKOXHLCJZCZ-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC001106905665 1258992658 /nfs/dbraw/zinc/99/26/58/1258992658.db2.gz BUFARIIUABNSNV-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106981480 1259010262 /nfs/dbraw/zinc/01/02/62/1259010262.db2.gz QAECDWNNEVXKGR-RBSFLKMASA-N 2 1 360.462 0.051 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)no1 ZINC001106981310 1259010610 /nfs/dbraw/zinc/01/06/10/1259010610.db2.gz IQUHJGHCWAVABZ-VHDGCEQUSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1 ZINC001106987249 1259012960 /nfs/dbraw/zinc/01/29/60/1259012960.db2.gz ZNUSHXGGNHAATO-NXHRZFHOSA-N 2 1 366.506 0.909 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)C1 ZINC001107009333 1259016997 /nfs/dbraw/zinc/01/69/97/1259016997.db2.gz PQOZRNJWWYYPDZ-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)C1 ZINC001107009333 1259017004 /nfs/dbraw/zinc/01/70/04/1259017004.db2.gz PQOZRNJWWYYPDZ-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001107074951 1259028798 /nfs/dbraw/zinc/02/87/98/1259028798.db2.gz MTGZUHNLBKNWPR-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001107074951 1259028808 /nfs/dbraw/zinc/02/88/08/1259028808.db2.gz MTGZUHNLBKNWPR-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107472662 1259099038 /nfs/dbraw/zinc/09/90/38/1259099038.db2.gz AKKYHYCRUJMIEN-VQIMIIECSA-N 2 1 359.474 0.831 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107472662 1259099043 /nfs/dbraw/zinc/09/90/43/1259099043.db2.gz AKKYHYCRUJMIEN-VQIMIIECSA-N 2 1 359.474 0.831 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107609511 1259132462 /nfs/dbraw/zinc/13/24/62/1259132462.db2.gz VQOLNIAYOPNEAW-VQIMIIECSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107609606 1259133814 /nfs/dbraw/zinc/13/38/14/1259133814.db2.gz YNVCMLWVSVISOE-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107609606 1259133818 /nfs/dbraw/zinc/13/38/18/1259133818.db2.gz YNVCMLWVSVISOE-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107609606 1259133820 /nfs/dbraw/zinc/13/38/20/1259133820.db2.gz YNVCMLWVSVISOE-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP Cn1ccnc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609556 1259134549 /nfs/dbraw/zinc/13/45/49/1259134549.db2.gz XAPNLPXKQTYRHW-VQIMIIECSA-N 2 1 363.506 0.859 20 0 FCADMP Cn1ccnc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609556 1259134551 /nfs/dbraw/zinc/13/45/51/1259134551.db2.gz XAPNLPXKQTYRHW-VQIMIIECSA-N 2 1 363.506 0.859 20 0 FCADMP CCOCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546330 1259158090 /nfs/dbraw/zinc/15/80/90/1259158090.db2.gz UQVLTYJYRZQNLB-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCOCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546330 1259158096 /nfs/dbraw/zinc/15/80/96/1259158096.db2.gz UQVLTYJYRZQNLB-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127571142 1259181794 /nfs/dbraw/zinc/18/17/94/1259181794.db2.gz MEIZJAIBPYEVIG-SJORKVTESA-N 2 1 364.494 0.251 20 0 FCADMP Cc1ccccc1CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643600 1259182491 /nfs/dbraw/zinc/18/24/91/1259182491.db2.gz CJZQFOIWXPABBO-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCCF)n3CC2)CC[N@H+]1C ZINC001127990627 1259188976 /nfs/dbraw/zinc/18/89/76/1259188976.db2.gz GNGLPDRGGHMKRJ-RBSFLKMASA-N 2 1 366.485 0.889 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001331603703 1266247048 /nfs/dbraw/zinc/24/70/48/1266247048.db2.gz IICHCLYYXOADIW-MAUKXSAKSA-N 2 1 372.469 0.521 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001331603703 1266247050 /nfs/dbraw/zinc/24/70/50/1266247050.db2.gz IICHCLYYXOADIW-MAUKXSAKSA-N 2 1 372.469 0.521 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129029668 1259292884 /nfs/dbraw/zinc/29/28/84/1259292884.db2.gz HWJJSVZHIZNDSF-OAGGEKHMSA-N 2 1 370.473 0.336 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228088 1259349884 /nfs/dbraw/zinc/34/98/84/1259349884.db2.gz BJDXKTIFGTUJSL-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228088 1259349890 /nfs/dbraw/zinc/34/98/90/1259349890.db2.gz BJDXKTIFGTUJSL-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP CC(C)(OC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC001160654792 1259386082 /nfs/dbraw/zinc/38/60/82/1259386082.db2.gz BZEALEHWMAJJPF-OWCLPIDISA-N 2 1 363.458 0.493 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001200547119 1259416034 /nfs/dbraw/zinc/41/60/34/1259416034.db2.gz MPNLBVDXKUJOSU-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406486 1259491577 /nfs/dbraw/zinc/49/15/77/1259491577.db2.gz UYNQBCAWJAAPFY-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406486 1259491579 /nfs/dbraw/zinc/49/15/79/1259491579.db2.gz UYNQBCAWJAAPFY-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408733 1259493627 /nfs/dbraw/zinc/49/36/27/1259493627.db2.gz ZVXACXYJPWFGKY-QZTJIDSGSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408733 1259493631 /nfs/dbraw/zinc/49/36/31/1259493631.db2.gz ZVXACXYJPWFGKY-QZTJIDSGSA-N 2 1 361.486 0.979 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536227 1259534616 /nfs/dbraw/zinc/53/46/16/1259534616.db2.gz NHSYSPAZZJLXQB-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216225149 1259537366 /nfs/dbraw/zinc/53/73/66/1259537366.db2.gz AOVBSUTUIKLTCM-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]([NH3+])CN1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001235490354 1259573690 /nfs/dbraw/zinc/57/36/90/1259573690.db2.gz MAKPXCAAJKZTDI-UZLBHIALSA-N 2 1 357.502 0.833 20 0 FCADMP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@@H+](CCCC[NH3+])C1 ZINC001235581418 1259577632 /nfs/dbraw/zinc/57/76/32/1259577632.db2.gz LBQNJSUDVRZRCN-LJQANCHMSA-N 2 1 361.490 0.834 20 0 FCADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH2+]CCNCC[NH2+]CC3)C2)cc1 ZINC001235868345 1259582081 /nfs/dbraw/zinc/58/20/81/1259582081.db2.gz CPMHMIWQUJFFLU-OAQYLSRUSA-N 3 1 359.562 0.983 20 0 FCADMP c1cc(C[NH+]2CCOCC2)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871475 1259582293 /nfs/dbraw/zinc/58/22/93/1259582293.db2.gz ULMYRTDQCQXQEL-UHFFFAOYSA-N 3 1 361.534 0.103 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc4c(n3)OCCO4)C[C@H]1C2 ZINC001236029126 1259587407 /nfs/dbraw/zinc/58/74/07/1259587407.db2.gz YDVPOOKBYFDSLV-JUIVLLAYSA-N 2 1 359.426 0.683 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)ccn1 ZINC001236028404 1259587422 /nfs/dbraw/zinc/58/74/22/1259587422.db2.gz QRSAHDSISIETDH-GJRWTSMGSA-N 2 1 359.426 0.699 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cc4c(cn3)OCCO4)C[C@H]1C2 ZINC001236031412 1259587871 /nfs/dbraw/zinc/58/78/71/1259587871.db2.gz UXNBDWSGEWQZNU-JUIVLLAYSA-N 2 1 359.426 0.683 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236308226 1259589457 /nfs/dbraw/zinc/58/94/57/1259589457.db2.gz IADMQDBNHDOYKA-UHFFFAOYSA-N 3 1 358.490 0.797 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245979571 1259642145 /nfs/dbraw/zinc/64/21/45/1259642145.db2.gz VUWOEIRAUURMPF-FDPIWHGQSA-N 2 1 369.456 0.944 20 0 FCADMP COc1ccc(C2([NH2+]C[C@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)cc1 ZINC001245996258 1259644195 /nfs/dbraw/zinc/64/41/95/1259644195.db2.gz LSPRSJXIBAPQHN-QGZVFWFLSA-N 3 1 363.502 0.729 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246069585 1259644826 /nfs/dbraw/zinc/64/48/26/1259644826.db2.gz KSJYHSPATGSPKA-GBESFXJTSA-N 2 1 368.472 0.693 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412595 1259652347 /nfs/dbraw/zinc/65/23/47/1259652347.db2.gz PNHJAXMPBWGKJM-YJBOKZPZSA-N 2 1 357.495 0.651 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412595 1259652355 /nfs/dbraw/zinc/65/23/55/1259652355.db2.gz PNHJAXMPBWGKJM-YJBOKZPZSA-N 2 1 357.495 0.651 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001335415594 1259653092 /nfs/dbraw/zinc/65/30/92/1259653092.db2.gz AMYHZVNNFAWTLM-ZOBUZTSGSA-N 2 1 365.522 0.569 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587077 1259657132 /nfs/dbraw/zinc/65/71/32/1259657132.db2.gz VFNDEXJQHZVZLZ-NXOAAHMSSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246587077 1259657141 /nfs/dbraw/zinc/65/71/41/1259657141.db2.gz VFNDEXJQHZVZLZ-NXOAAHMSSA-N 2 1 361.442 0.084 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603288 1259657562 /nfs/dbraw/zinc/65/75/62/1259657562.db2.gz NPLRXEMMOCYBRZ-PMPSAXMXSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H]1CC[C@@H](C(=O)OCC)NC1)CC[NH2+]CC2 ZINC001246603288 1259657574 /nfs/dbraw/zinc/65/75/74/1259657574.db2.gz NPLRXEMMOCYBRZ-PMPSAXMXSA-N 2 1 367.490 0.677 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700418 1259661171 /nfs/dbraw/zinc/66/11/71/1259661171.db2.gz IZQSIKQLINQRLD-YDRHNJASSA-N 2 1 359.474 0.826 20 0 FCADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700418 1259661180 /nfs/dbraw/zinc/66/11/80/1259661180.db2.gz IZQSIKQLINQRLD-YDRHNJASSA-N 2 1 359.474 0.826 20 0 FCADMP c1ccc(OCc2nnc3n2CC[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)nc1 ZINC001246696068 1259661493 /nfs/dbraw/zinc/66/14/93/1259661493.db2.gz PGEHAJSTEXTKLJ-OAHLLOKOSA-N 2 1 369.473 0.204 20 0 FCADMP O=C([C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CC=CC1 ZINC001246693992 1259662495 /nfs/dbraw/zinc/66/24/95/1259662495.db2.gz KITIALFLEGVKHU-IAGOWNOFSA-N 2 1 360.502 0.207 20 0 FCADMP c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246710731 1259665416 /nfs/dbraw/zinc/66/54/16/1259665416.db2.gz PYAANVAMQVMTNP-YDZRNGNQSA-N 2 1 358.486 0.924 20 0 FCADMP CC(C)C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452945 1259667954 /nfs/dbraw/zinc/66/79/54/1259667954.db2.gz RDNPMEAZZFBAQO-SQNIBIBYSA-N 2 1 354.539 0.608 20 0 FCADMP CC(C)C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452945 1259667962 /nfs/dbraw/zinc/66/79/62/1259667962.db2.gz RDNPMEAZZFBAQO-SQNIBIBYSA-N 2 1 354.539 0.608 20 0 FCADMP CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246716569 1259669093 /nfs/dbraw/zinc/66/90/93/1259669093.db2.gz BOCCRSAJEQDMQL-MBOZVWFJSA-N 2 1 364.534 0.866 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732776 1259673289 /nfs/dbraw/zinc/67/32/89/1259673289.db2.gz HZQJCHZCYPCSMR-MDYRTPRTSA-N 2 1 371.485 0.862 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732776 1259673296 /nfs/dbraw/zinc/67/32/96/1259673296.db2.gz HZQJCHZCYPCSMR-MDYRTPRTSA-N 2 1 371.485 0.862 20 0 FCADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739963 1259675151 /nfs/dbraw/zinc/67/51/51/1259675151.db2.gz SLSBRNOGKKXINO-QGZVFWFLSA-N 3 1 374.533 0.385 20 0 FCADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739963 1259675157 /nfs/dbraw/zinc/67/51/57/1259675157.db2.gz SLSBRNOGKKXINO-QGZVFWFLSA-N 2 1 374.533 0.385 20 0 FCADMP c1cnc(N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nc1 ZINC001246746515 1259677529 /nfs/dbraw/zinc/67/75/29/1259677529.db2.gz HSGSBIISGOLTJL-IXDOHACOSA-N 2 1 358.490 0.098 20 0 FCADMP COCCO[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]1Cc1cnn(C)c1 ZINC001246764114 1259683915 /nfs/dbraw/zinc/68/39/15/1259683915.db2.gz HQBHFMMVKWSOIJ-BZSNNMDCSA-N 2 1 363.506 0.163 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762409 1259684889 /nfs/dbraw/zinc/68/48/89/1259684889.db2.gz BWMIJNFUNUYLJF-PSOLEGPJSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762409 1259684896 /nfs/dbraw/zinc/68/48/96/1259684896.db2.gz BWMIJNFUNUYLJF-PSOLEGPJSA-N 2 1 361.490 0.627 20 0 FCADMP Cn1cc(N2CC[C@@]3(CCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768926 1259686900 /nfs/dbraw/zinc/68/69/00/1259686900.db2.gz CZPHAYVDRMAGDZ-CRAIPNDOSA-N 2 1 358.490 0.333 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CC[NH2+]CC2)C1 ZINC001335499941 1259688421 /nfs/dbraw/zinc/68/84/21/1259688421.db2.gz XVTFJSOBJOXSTE-NXHRZFHOSA-N 3 1 365.522 0.317 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001335499941 1259688431 /nfs/dbraw/zinc/68/84/31/1259688431.db2.gz XVTFJSOBJOXSTE-NXHRZFHOSA-N 3 1 365.522 0.317 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001335499941 1259688442 /nfs/dbraw/zinc/68/84/42/1259688442.db2.gz XVTFJSOBJOXSTE-NXHRZFHOSA-N 3 1 365.522 0.317 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001335499941 1259688450 /nfs/dbraw/zinc/68/84/50/1259688450.db2.gz XVTFJSOBJOXSTE-NXHRZFHOSA-N 2 1 365.522 0.317 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001335499941 1259688461 /nfs/dbraw/zinc/68/84/61/1259688461.db2.gz XVTFJSOBJOXSTE-NXHRZFHOSA-N 2 1 365.522 0.317 20 0 FCADMP O=C([C@H]1C[C@]2(CO1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774333 1259688870 /nfs/dbraw/zinc/68/88/70/1259688870.db2.gz MLFYWZIFRMMWKH-RUBXOHKTSA-N 2 1 363.502 0.999 20 0 FCADMP O=C1[C@@H]2CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001246846574 1259691237 /nfs/dbraw/zinc/69/12/37/1259691237.db2.gz BKTWTCBDZDHIOW-KURKYZTESA-N 2 1 368.481 0.730 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCc1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001247653993 1259704465 /nfs/dbraw/zinc/70/44/65/1259704465.db2.gz BWOBVHWIHIBLGK-AWEZNQCLSA-N 2 1 359.430 0.921 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(/C=C/C(=O)NCC[NH3+])n3)c2)CC1 ZINC001247638813 1259704577 /nfs/dbraw/zinc/70/45/77/1259704577.db2.gz UVEQZLARUXUNJC-AATRIKPKSA-N 2 1 370.457 0.572 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(CN[C@@H]4CC[NH2+]C4)n3)c2)CC1 ZINC001247698174 1259704983 /nfs/dbraw/zinc/70/49/83/1259704983.db2.gz FLWNUOUYCAIIST-QGZVFWFLSA-N 2 1 356.474 0.936 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(CN[C@H]4CC[NH2+]C4)n3)c2)CC1 ZINC001247698163 1259706060 /nfs/dbraw/zinc/70/60/60/1259706060.db2.gz FLWNUOUYCAIIST-KRWDZBQOSA-N 2 1 356.474 0.936 20 0 FCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335566836 1259720647 /nfs/dbraw/zinc/72/06/47/1259720647.db2.gz ARWBMXPLAGIVCO-AFQPOQBFSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001335566836 1259720651 /nfs/dbraw/zinc/72/06/51/1259720651.db2.gz ARWBMXPLAGIVCO-AFQPOQBFSA-N 2 1 361.534 0.985 20 0 FCADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251013619 1259728969 /nfs/dbraw/zinc/72/89/69/1259728969.db2.gz JKHGOSDCIOXUBB-HSALFYBXSA-N 2 1 367.534 0.360 20 0 FCADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251013619 1259728976 /nfs/dbraw/zinc/72/89/76/1259728976.db2.gz JKHGOSDCIOXUBB-HSALFYBXSA-N 2 1 367.534 0.360 20 0 FCADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251013619 1259728984 /nfs/dbraw/zinc/72/89/84/1259728984.db2.gz JKHGOSDCIOXUBB-HSALFYBXSA-N 2 1 367.534 0.360 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001335607664 1259740011 /nfs/dbraw/zinc/74/00/11/1259740011.db2.gz RECUXBYEFBGZTM-IRXDYDNUSA-N 2 1 366.506 0.651 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416476 1259785369 /nfs/dbraw/zinc/78/53/69/1259785369.db2.gz YEZBTOHGMHZCJM-IRXDYDNUSA-N 2 1 363.458 0.671 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253188231 1259828541 /nfs/dbraw/zinc/82/85/41/1259828541.db2.gz SVDOIXKRDODLRQ-OKZBNKHCSA-N 2 1 359.470 0.806 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253188231 1259828548 /nfs/dbraw/zinc/82/85/48/1259828548.db2.gz SVDOIXKRDODLRQ-OKZBNKHCSA-N 2 1 359.470 0.806 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001253203790 1259831106 /nfs/dbraw/zinc/83/11/06/1259831106.db2.gz LLZKWIDXEFIOLJ-HZPDHXFCSA-N 2 1 360.462 0.531 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790560 1259841382 /nfs/dbraw/zinc/84/13/82/1259841382.db2.gz KKBXPWBURGMCBK-QGZVFWFLSA-N 2 1 362.478 0.398 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253652459 1259846860 /nfs/dbraw/zinc/84/68/60/1259846860.db2.gz CJZJECMJYJVELB-IBGZPJMESA-N 2 1 363.458 0.235 20 0 FCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874985 1259861608 /nfs/dbraw/zinc/86/16/08/1259861608.db2.gz QRVPERIGMVOYJJ-OBQMCUGOSA-N 2 1 363.412 1.000 20 0 FCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874985 1259861615 /nfs/dbraw/zinc/86/16/15/1259861615.db2.gz QRVPERIGMVOYJJ-OBQMCUGOSA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874985 1259861624 /nfs/dbraw/zinc/86/16/24/1259861624.db2.gz QRVPERIGMVOYJJ-OBQMCUGOSA-N 2 1 363.412 1.000 20 0 FCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@@H]2C1 ZINC001253874985 1259861632 /nfs/dbraw/zinc/86/16/32/1259861632.db2.gz QRVPERIGMVOYJJ-OBQMCUGOSA-N 2 1 363.412 1.000 20 0 FCADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517509 1259887145 /nfs/dbraw/zinc/88/71/45/1259887145.db2.gz HSYNOGKRUNXTHZ-RANZSIQMSA-N 2 1 359.474 0.923 20 0 FCADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517509 1259887154 /nfs/dbraw/zinc/88/71/54/1259887154.db2.gz HSYNOGKRUNXTHZ-RANZSIQMSA-N 2 1 359.474 0.923 20 0 FCADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517509 1259887159 /nfs/dbraw/zinc/88/71/59/1259887159.db2.gz HSYNOGKRUNXTHZ-RANZSIQMSA-N 2 1 359.474 0.923 20 0 FCADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520015 1259890102 /nfs/dbraw/zinc/89/01/02/1259890102.db2.gz BOUIJOHHCUCMGD-MKXGPGLRSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520015 1259890109 /nfs/dbraw/zinc/89/01/09/1259890109.db2.gz BOUIJOHHCUCMGD-MKXGPGLRSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520015 1259890112 /nfs/dbraw/zinc/89/01/12/1259890112.db2.gz BOUIJOHHCUCMGD-MKXGPGLRSA-N 2 1 365.518 0.914 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C2 ZINC001255186539 1259906525 /nfs/dbraw/zinc/90/65/25/1259906525.db2.gz WQJROHGWNDSMQQ-CRWXNKLISA-N 2 1 369.466 0.533 20 0 FCADMP C[N@H+]1CC[C@H](N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426354 1259912460 /nfs/dbraw/zinc/91/24/60/1259912460.db2.gz COMBLCDGRLAJNL-HFTRVMKXSA-N 2 1 365.453 0.521 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@@H]2C(=O)N(C)C ZINC001255685343 1259924278 /nfs/dbraw/zinc/92/42/78/1259924278.db2.gz NOHNROJBUAOISN-UJJTZGENSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C[C@@H]2C(=O)N(C)C ZINC001255685343 1259924281 /nfs/dbraw/zinc/92/42/81/1259924281.db2.gz NOHNROJBUAOISN-UJJTZGENSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@@H]2C(=O)N(C)C ZINC001255685343 1259924292 /nfs/dbraw/zinc/92/42/92/1259924292.db2.gz NOHNROJBUAOISN-UJJTZGENSA-N 2 1 362.518 0.870 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC001331853919 1266295762 /nfs/dbraw/zinc/29/57/62/1266295762.db2.gz XOSMDJBPICFPKN-HXUWFJFHSA-N 2 1 374.485 0.032 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H](C)CC(=O)N1CCOCC1)CC2 ZINC001256337277 1259946864 /nfs/dbraw/zinc/94/68/64/1259946864.db2.gz XVGZQPVCSJMWFX-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H](C)CC(=O)N1CCOCC1)CC2 ZINC001256337277 1259946870 /nfs/dbraw/zinc/94/68/70/1259946870.db2.gz XVGZQPVCSJMWFX-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256693877 1259957310 /nfs/dbraw/zinc/95/73/10/1259957310.db2.gz RDDPOTGDSHSASH-TVPLGVNVSA-N 2 1 364.490 0.053 20 0 FCADMP CC1(C)OC[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)O1 ZINC001336076025 1259976633 /nfs/dbraw/zinc/97/66/33/1259976633.db2.gz OPVODMQDZRYLQE-XHSDSOJGSA-N 2 1 352.479 0.748 20 0 FCADMP Cc1cccc(NCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]1 ZINC001336133920 1260002334 /nfs/dbraw/zinc/00/23/34/1260002334.db2.gz PLVRBGJRHSAJPY-CYBMUJFWSA-N 2 1 374.411 0.937 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@H+]1C ZINC001261134353 1260082300 /nfs/dbraw/zinc/08/23/00/1260082300.db2.gz TUDKCMYJZCYHNL-MXASKKJJSA-N 2 1 366.506 0.079 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC001261375481 1260128474 /nfs/dbraw/zinc/12/84/74/1260128474.db2.gz QHTHTBMMTPEWFZ-MOPGFXCFSA-N 2 1 357.502 0.937 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001336713350 1260207684 /nfs/dbraw/zinc/20/76/84/1260207684.db2.gz PBOOUEPDXMWVNZ-QGZVFWFLSA-N 2 1 368.522 0.897 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1=O ZINC001336829526 1260232436 /nfs/dbraw/zinc/23/24/36/1260232436.db2.gz DBDFIFXODVUGCW-BBRMVZONSA-N 2 1 371.428 0.767 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC001262063942 1260253528 /nfs/dbraw/zinc/25/35/28/1260253528.db2.gz NIFOALYHZROYSS-KBPBESRZSA-N 2 1 357.389 0.509 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001262170282 1260273995 /nfs/dbraw/zinc/27/39/95/1260273995.db2.gz IUBRVQKTZPBWOU-UHFFFAOYSA-N 2 1 359.518 0.548 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001262603635 1260330485 /nfs/dbraw/zinc/33/04/85/1260330485.db2.gz PDYYVHCHCDXCKB-UHFFFAOYSA-N 2 1 365.522 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001262603635 1260330492 /nfs/dbraw/zinc/33/04/92/1260330492.db2.gz PDYYVHCHCDXCKB-UHFFFAOYSA-N 2 1 365.522 0.842 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756090 1260356305 /nfs/dbraw/zinc/35/63/05/1260356305.db2.gz FDFRRJNQXBCTKO-JXFKEZNVSA-N 2 1 372.513 0.648 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1)C1CC1 ZINC001264650250 1260391729 /nfs/dbraw/zinc/39/17/29/1260391729.db2.gz JSUJUBWIEWMKRL-CVEARBPZSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC001337862906 1260502931 /nfs/dbraw/zinc/50/29/31/1260502931.db2.gz UHUUCJOUFTVWII-IRXDYDNUSA-N 2 1 368.522 0.801 20 0 FCADMP CN1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001272868352 1260521184 /nfs/dbraw/zinc/52/11/84/1260521184.db2.gz PXFIGJJFDNOPCG-DOTOQJQBSA-N 2 1 359.474 0.067 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001272868387 1260521467 /nfs/dbraw/zinc/52/14/67/1260521467.db2.gz RJVLOHHTVSRVMZ-LJQANCHMSA-N 2 1 360.506 0.472 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001272868387 1260521470 /nfs/dbraw/zinc/52/14/70/1260521470.db2.gz RJVLOHHTVSRVMZ-LJQANCHMSA-N 2 1 360.506 0.472 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001338011679 1260535905 /nfs/dbraw/zinc/53/59/05/1260535905.db2.gz OLLDZJSVNJGOCH-ZHALLVOQSA-N 2 1 365.522 0.367 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001273249681 1260635635 /nfs/dbraw/zinc/63/56/35/1260635635.db2.gz YVUMYGVVVBIGBD-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP C[N@H+]1CCC[C@H](CC(=O)N2C[C@H]3CN(CCn4ccnc4)C[C@@H](C2)O3)C1 ZINC001273254864 1260637257 /nfs/dbraw/zinc/63/72/57/1260637257.db2.gz NBUMKWJGUZSHKP-KURKYZTESA-N 2 1 361.490 0.527 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001273273734 1260647387 /nfs/dbraw/zinc/64/73/87/1260647387.db2.gz ZDEVTWQBTQADFN-RZQQEMMASA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001278183274 1260686512 /nfs/dbraw/zinc/68/65/12/1260686512.db2.gz JFRWVTIRKTWKBH-IKGGRYGDSA-N 2 1 368.522 0.942 20 0 FCADMP C[NH+]1CCC(NC(=O)c2cc3c([nH]2)CN(C(=O)C[NH+]2CCC2)CC3)CC1 ZINC001279240101 1260803980 /nfs/dbraw/zinc/80/39/80/1260803980.db2.gz UKFOSSJCJUXGLR-UHFFFAOYSA-N 2 1 359.474 0.429 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001279239897 1260804320 /nfs/dbraw/zinc/80/43/20/1260804320.db2.gz QPLQWXDNPNJCDU-UHFFFAOYSA-N 2 1 360.502 0.794 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN1CCOCC1 ZINC001279246919 1260810173 /nfs/dbraw/zinc/81/01/73/1260810173.db2.gz POIQEAONTMADGJ-FHWLQOOXSA-N 2 1 362.518 0.478 20 0 FCADMP Cc1nccnc1C[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279336444 1260842582 /nfs/dbraw/zinc/84/25/82/1260842582.db2.gz CTJLPJZUHGAWLG-IBGZPJMESA-N 2 1 360.506 0.503 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279336444 1260842592 /nfs/dbraw/zinc/84/25/92/1260842592.db2.gz CTJLPJZUHGAWLG-IBGZPJMESA-N 2 1 360.506 0.503 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC12CN(CC[NH+](C)C)C2 ZINC001279484154 1260878227 /nfs/dbraw/zinc/87/82/27/1260878227.db2.gz NIQIWVFJSVLZAT-UHFFFAOYSA-N 2 1 355.486 0.867 20 0 FCADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC12CN(CC[NH+](C)C)C2 ZINC001279484154 1260878230 /nfs/dbraw/zinc/87/82/30/1260878230.db2.gz NIQIWVFJSVLZAT-UHFFFAOYSA-N 2 1 355.486 0.867 20 0 FCADMP Cn1ncnc1C(=O)N1CCC2(C1)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001279616113 1260899659 /nfs/dbraw/zinc/89/96/59/1260899659.db2.gz AGLLQOUISXJDPS-UHFFFAOYSA-N 2 1 355.446 0.751 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)nc1OC ZINC001279676366 1260913108 /nfs/dbraw/zinc/91/31/08/1260913108.db2.gz BVHYFCQICQXPMN-GJZGRUSLSA-N 2 1 360.458 0.741 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)nc1OC ZINC001279676366 1260913114 /nfs/dbraw/zinc/91/31/14/1260913114.db2.gz BVHYFCQICQXPMN-GJZGRUSLSA-N 2 1 360.458 0.741 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4OCCO)CC3)[C@H]2C1 ZINC001279701409 1260917481 /nfs/dbraw/zinc/91/74/81/1260917481.db2.gz WYRTVUGMDRPDTQ-IRXDYDNUSA-N 2 1 359.470 0.700 20 0 FCADMP Cc1cc(N2CC[N@@H+](CC(=O)N(C)C)C[C@@]3(CCCC(=O)N3)C2)cc[nH+]1 ZINC001279788675 1260936632 /nfs/dbraw/zinc/93/66/32/1260936632.db2.gz YCHIMYLJPQVZJG-IBGZPJMESA-N 2 1 359.474 0.639 20 0 FCADMP Cc1cc(N2CC[N@H+](CC(=O)N(C)C)C[C@@]3(CCCC(=O)N3)C2)cc[nH+]1 ZINC001279788675 1260936636 /nfs/dbraw/zinc/93/66/36/1260936636.db2.gz YCHIMYLJPQVZJG-IBGZPJMESA-N 2 1 359.474 0.639 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279919258 1260962280 /nfs/dbraw/zinc/96/22/80/1260962280.db2.gz OOROELUEWFKSHF-BPQIPLTHSA-N 2 1 361.490 0.847 20 0 FCADMP CN(C)C(=O)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280072200 1260991060 /nfs/dbraw/zinc/99/10/60/1260991060.db2.gz BQXBIAQNMYFAKU-QGZVFWFLSA-N 2 1 362.518 0.873 20 0 FCADMP COCOCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280088775 1260994942 /nfs/dbraw/zinc/99/49/42/1260994942.db2.gz IVQQUFVHBWNPOB-QAPCUYQASA-N 2 1 365.478 0.858 20 0 FCADMP COCOCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280088775 1260994944 /nfs/dbraw/zinc/99/49/44/1260994944.db2.gz IVQQUFVHBWNPOB-QAPCUYQASA-N 2 1 365.478 0.858 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2cnc[nH]2)CC1 ZINC001280125496 1261010523 /nfs/dbraw/zinc/01/05/23/1261010523.db2.gz KNVAOMLYMQMGIO-KRWDZBQOSA-N 2 1 361.490 0.706 20 0 FCADMP O=C(C[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1)N1CC2(CC(O)C2)C1 ZINC001280135218 1261013131 /nfs/dbraw/zinc/01/31/31/1261013131.db2.gz KCZPNUNXOGKUCH-NJAFHUGGSA-N 2 1 363.502 0.449 20 0 FCADMP Cc1nc(CNC(=O)c2noc3c2C[N@@H+](CC2CC[NH2+]CC2)CC3)no1 ZINC001280138367 1261014069 /nfs/dbraw/zinc/01/40/69/1261014069.db2.gz XAUUNQCGOFFNNT-UHFFFAOYSA-N 2 1 360.418 0.654 20 0 FCADMP CCC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280145615 1261015289 /nfs/dbraw/zinc/01/52/89/1261015289.db2.gz GCCMPAPUPGNWAM-IAGOWNOFSA-N 2 1 359.474 0.375 20 0 FCADMP CCC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001280145615 1261015290 /nfs/dbraw/zinc/01/52/90/1261015290.db2.gz GCCMPAPUPGNWAM-IAGOWNOFSA-N 2 1 359.474 0.375 20 0 FCADMP CC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280169759 1261019538 /nfs/dbraw/zinc/01/95/38/1261019538.db2.gz KGGBYERHSYSDLN-OTWHNJEPSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C(C(=O)NCc4c[nH]cn4)=NO[C@@H]3C2)CC1 ZINC001280211261 1261034113 /nfs/dbraw/zinc/03/41/13/1261034113.db2.gz RRDASGSAUCJLHD-LSDHHAIUSA-N 2 1 360.462 0.444 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C(C(=O)NCc4cnc[nH]4)=NO[C@@H]3C2)CC1 ZINC001280211261 1261034118 /nfs/dbraw/zinc/03/41/18/1261034118.db2.gz RRDASGSAUCJLHD-LSDHHAIUSA-N 2 1 360.462 0.444 20 0 FCADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C(C(=O)NCc4cnc[nH]4)=NO[C@@H]3C2)CC1 ZINC001280211261 1261034124 /nfs/dbraw/zinc/03/41/24/1261034124.db2.gz RRDASGSAUCJLHD-LSDHHAIUSA-N 2 1 360.462 0.444 20 0 FCADMP C[NH+](C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cccnc3=O)CC[C@@H]2C1 ZINC001280219735 1261037822 /nfs/dbraw/zinc/03/78/22/1261037822.db2.gz WVPKMGCPSMAPBO-CALCHBBNSA-N 2 1 361.490 0.365 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218407 1261037892 /nfs/dbraw/zinc/03/78/92/1261037892.db2.gz IALQQHYLZIIWLJ-LJQANCHMSA-N 2 1 361.490 0.510 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218407 1261037896 /nfs/dbraw/zinc/03/78/96/1261037896.db2.gz IALQQHYLZIIWLJ-LJQANCHMSA-N 2 1 361.490 0.510 20 0 FCADMP C[NH+](C)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280221227 1261038853 /nfs/dbraw/zinc/03/88/53/1261038853.db2.gz POXKXSMIKCGTRE-IRXDYDNUSA-N 2 1 360.506 0.374 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280221227 1261038859 /nfs/dbraw/zinc/03/88/59/1261038859.db2.gz POXKXSMIKCGTRE-IRXDYDNUSA-N 3 1 360.506 0.374 20 0 FCADMP C[NH+](C)CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280221227 1261038862 /nfs/dbraw/zinc/03/88/62/1261038862.db2.gz POXKXSMIKCGTRE-IRXDYDNUSA-N 3 1 360.506 0.374 20 0 FCADMP C[NH+](C)CCCN1CC[N@@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280223147 1261039380 /nfs/dbraw/zinc/03/93/80/1261039380.db2.gz CZOGOTMTDSSKPK-LJQANCHMSA-N 2 1 362.522 0.491 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2nnnn2C)CC1 ZINC001280248548 1261041912 /nfs/dbraw/zinc/04/19/12/1261041912.db2.gz KIACCLAIJGDHNR-MUJYYYPQSA-N 2 1 361.494 0.839 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@@H](C(=O)Nc2nnnn2C)O3)CC1 ZINC001280248164 1261042413 /nfs/dbraw/zinc/04/24/13/1261042413.db2.gz GAYHKLCJAIUVOE-AWEZNQCLSA-N 2 1 363.466 0.114 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280291303 1261049531 /nfs/dbraw/zinc/04/95/31/1261049531.db2.gz NITQMUIYVSLRTB-OLMNPRSZSA-N 2 1 361.490 0.610 20 0 FCADMP Cc1nc[nH]c1C[NH+]1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280343906 1261060903 /nfs/dbraw/zinc/06/09/03/1261060903.db2.gz JRDANTHILYCBFN-INIZCTEOSA-N 2 1 361.490 0.767 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280813114 1261074964 /nfs/dbraw/zinc/07/49/64/1261074964.db2.gz AGAKOTBHSYEEAQ-HUUCEWRRSA-N 2 1 369.510 0.343 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280813114 1261074971 /nfs/dbraw/zinc/07/49/71/1261074971.db2.gz AGAKOTBHSYEEAQ-HUUCEWRRSA-N 2 1 369.510 0.343 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001280813114 1261074973 /nfs/dbraw/zinc/07/49/73/1261074973.db2.gz AGAKOTBHSYEEAQ-HUUCEWRRSA-N 2 1 369.510 0.343 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001281684448 1261148413 /nfs/dbraw/zinc/14/84/13/1261148413.db2.gz PBOMWJNSOHEJEJ-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001281684448 1261148417 /nfs/dbraw/zinc/14/84/17/1261148417.db2.gz PBOMWJNSOHEJEJ-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001281684448 1261148419 /nfs/dbraw/zinc/14/84/19/1261148419.db2.gz PBOMWJNSOHEJEJ-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC(=O)N(C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332387418 1266393459 /nfs/dbraw/zinc/39/34/59/1266393459.db2.gz PZGQXBPSINACAS-OKILXGFUSA-N 2 1 372.469 0.763 20 0 FCADMP CC(=O)N(C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332387418 1266393472 /nfs/dbraw/zinc/39/34/72/1266393472.db2.gz PZGQXBPSINACAS-OKILXGFUSA-N 2 1 372.469 0.763 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852369 1261235007 /nfs/dbraw/zinc/23/50/07/1261235007.db2.gz YAQIMDJIKWZLKP-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116665 1261637880 /nfs/dbraw/zinc/63/78/80/1261637880.db2.gz IBBIAXZMTAMSJN-JKSUJKDBSA-N 2 1 373.501 0.802 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001284753798 1261786341 /nfs/dbraw/zinc/78/63/41/1261786341.db2.gz ZJXVYAPSHFZSDS-NUEKZKHPSA-N 2 1 359.474 0.583 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001285930116 1261887356 /nfs/dbraw/zinc/88/73/56/1261887356.db2.gz MSLFIDCSDDQTDJ-ARFHVFGLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001285930116 1261887361 /nfs/dbraw/zinc/88/73/61/1261887361.db2.gz MSLFIDCSDDQTDJ-ARFHVFGLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580322782 1278122950 /nfs/dbraw/zinc/12/29/50/1278122950.db2.gz TYWKSRKXSNFVGI-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001288979514 1262058108 /nfs/dbraw/zinc/05/81/08/1262058108.db2.gz HSLHHECLDIZWNP-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001288979514 1262058115 /nfs/dbraw/zinc/05/81/15/1262058115.db2.gz HSLHHECLDIZWNP-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001288979514 1262058119 /nfs/dbraw/zinc/05/81/19/1262058119.db2.gz HSLHHECLDIZWNP-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001288979514 1262058122 /nfs/dbraw/zinc/05/81/22/1262058122.db2.gz HSLHHECLDIZWNP-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001289839940 1262355720 /nfs/dbraw/zinc/35/57/20/1262355720.db2.gz VGOMJBHATBTPCY-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC1 ZINC001292439221 1262696974 /nfs/dbraw/zinc/69/69/74/1262696974.db2.gz CAESOOOAMCSEOG-UHFFFAOYSA-N 2 1 370.538 0.746 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(NC3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208989 1263136231 /nfs/dbraw/zinc/13/62/31/1263136231.db2.gz RVLGOHLULFGGAJ-ROUUACIJSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208989 1263136235 /nfs/dbraw/zinc/13/62/35/1263136235.db2.gz RVLGOHLULFGGAJ-ROUUACIJSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208989 1263136236 /nfs/dbraw/zinc/13/62/36/1263136236.db2.gz RVLGOHLULFGGAJ-ROUUACIJSA-N 2 1 361.490 0.433 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374286 1278185660 /nfs/dbraw/zinc/18/56/60/1278185660.db2.gz AOBZEFQGKJKOLL-UNEWFSDZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374286 1278185662 /nfs/dbraw/zinc/18/56/62/1278185662.db2.gz AOBZEFQGKJKOLL-UNEWFSDZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001580374286 1278185665 /nfs/dbraw/zinc/18/56/65/1278185665.db2.gz AOBZEFQGKJKOLL-UNEWFSDZSA-N 2 1 369.473 0.897 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485251367 1263500688 /nfs/dbraw/zinc/50/06/88/1263500688.db2.gz DADFLAZXBSNRKF-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317089417 1263502266 /nfs/dbraw/zinc/50/22/66/1263502266.db2.gz XQKKMIRNKOGCEM-FKSLSLAPSA-N 2 1 361.486 0.576 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001319273195 1263671819 /nfs/dbraw/zinc/67/18/19/1263671819.db2.gz SVHYMAAMFFWUKZ-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957621 1263687563 /nfs/dbraw/zinc/68/75/63/1263687563.db2.gz YPOGSCGEKPMIGK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957621 1263687566 /nfs/dbraw/zinc/68/75/66/1263687566.db2.gz YPOGSCGEKPMIGK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957621 1263687573 /nfs/dbraw/zinc/68/75/73/1263687573.db2.gz YPOGSCGEKPMIGK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001492957621 1263687583 /nfs/dbraw/zinc/68/75/83/1263687583.db2.gz YPOGSCGEKPMIGK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC001580387682 1278210265 /nfs/dbraw/zinc/21/02/65/1278210265.db2.gz BWLNRDHGWJMYMY-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC001580387682 1278210271 /nfs/dbraw/zinc/21/02/71/1278210271.db2.gz BWLNRDHGWJMYMY-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC001580387682 1278210277 /nfs/dbraw/zinc/21/02/77/1278210277.db2.gz BWLNRDHGWJMYMY-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC001580387682 1278210284 /nfs/dbraw/zinc/21/02/84/1278210284.db2.gz BWLNRDHGWJMYMY-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[NH+]2CC=CC2)CC1 ZINC001320600936 1263824782 /nfs/dbraw/zinc/82/47/82/1263824782.db2.gz OFFXHVMWAORXOJ-UHFFFAOYSA-N 2 1 360.462 0.466 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001497262108 1263920562 /nfs/dbraw/zinc/92/05/62/1263920562.db2.gz PRDMQTFKTBCSRB-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001497262108 1263920567 /nfs/dbraw/zinc/92/05/67/1263920567.db2.gz PRDMQTFKTBCSRB-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497262108 1263920573 /nfs/dbraw/zinc/92/05/73/1263920573.db2.gz PRDMQTFKTBCSRB-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497262108 1263920582 /nfs/dbraw/zinc/92/05/82/1263920582.db2.gz PRDMQTFKTBCSRB-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001321423397 1263958479 /nfs/dbraw/zinc/95/84/79/1263958479.db2.gz VLGYYKRHVRHESO-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001321423397 1263958492 /nfs/dbraw/zinc/95/84/92/1263958492.db2.gz VLGYYKRHVRHESO-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001321423397 1263958502 /nfs/dbraw/zinc/95/85/02/1263958502.db2.gz VLGYYKRHVRHESO-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(C)(C)C)CC2)C1 ZINC001321921919 1264099564 /nfs/dbraw/zinc/09/95/64/1264099564.db2.gz RBSWMUYRFMLKMJ-INIZCTEOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001321921919 1264099582 /nfs/dbraw/zinc/09/95/82/1264099582.db2.gz RBSWMUYRFMLKMJ-INIZCTEOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580390144 1278218744 /nfs/dbraw/zinc/21/87/44/1278218744.db2.gz UQAMFUQKTWPCTA-FVQBIDKESA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC[NH+]1C ZINC001580390144 1278218759 /nfs/dbraw/zinc/21/87/59/1278218759.db2.gz UQAMFUQKTWPCTA-FVQBIDKESA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC[NH+]1C ZINC001580390144 1278218766 /nfs/dbraw/zinc/21/87/66/1278218766.db2.gz UQAMFUQKTWPCTA-FVQBIDKESA-N 2 1 369.473 0.897 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC001322316706 1264181933 /nfs/dbraw/zinc/18/19/33/1264181933.db2.gz ZOPJKGRWCGZWDU-CQSZACIVSA-N 2 1 365.478 0.171 20 0 FCADMP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001502870973 1264183235 /nfs/dbraw/zinc/18/32/35/1264183235.db2.gz YCJUXQQMBMWRMY-ARFHVFGLSA-N 2 1 361.490 0.821 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584131 1264223317 /nfs/dbraw/zinc/22/33/17/1264223317.db2.gz VBJHEYJHIOWSEB-AWEZNQCLSA-N 2 1 372.460 0.965 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584131 1264223323 /nfs/dbraw/zinc/22/33/23/1264223323.db2.gz VBJHEYJHIOWSEB-AWEZNQCLSA-N 2 1 372.460 0.965 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580401042 1278226471 /nfs/dbraw/zinc/22/64/71/1278226471.db2.gz ZRAKYOIHFBWNEM-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001322732574 1264251116 /nfs/dbraw/zinc/25/11/16/1264251116.db2.gz HJFKRDGPXOTJQU-ZACQAIPSSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](O)Cn2cccn2)CC[N@H+]1C ZINC001505812885 1264280621 /nfs/dbraw/zinc/28/06/21/1264280621.db2.gz FGMQKSJMEIAZMK-IXDOHACOSA-N 2 1 365.522 0.658 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994834 1264310966 /nfs/dbraw/zinc/31/09/66/1264310966.db2.gz VVEQKPSXTKKLKP-CQSZACIVSA-N 2 1 363.437 0.122 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001323389749 1264418049 /nfs/dbraw/zinc/41/80/49/1264418049.db2.gz XSRSQDQPEVWPFK-PVAVHDDUSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001324171175 1264589138 /nfs/dbraw/zinc/58/91/38/1264589138.db2.gz NNRUBCQPMGYYHW-IAGOWNOFSA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001324171175 1264589145 /nfs/dbraw/zinc/58/91/45/1264589145.db2.gz NNRUBCQPMGYYHW-IAGOWNOFSA-N 2 1 361.490 0.277 20 0 FCADMP COC[C@]1(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)CC[NH2+]C1 ZINC001326792438 1265167462 /nfs/dbraw/zinc/16/74/62/1265167462.db2.gz HTOMOTHKXYIFTB-FQEVSTJZSA-N 2 1 360.502 0.676 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717688 1265267866 /nfs/dbraw/zinc/26/78/66/1265267866.db2.gz SMIFHAQYSASICZ-PMPSAXMXSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717688 1265267872 /nfs/dbraw/zinc/26/78/72/1265267872.db2.gz SMIFHAQYSASICZ-PMPSAXMXSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717688 1265267879 /nfs/dbraw/zinc/26/78/79/1265267879.db2.gz SMIFHAQYSASICZ-PMPSAXMXSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001514949495 1265384997 /nfs/dbraw/zinc/38/49/97/1265384997.db2.gz LXACUZUXABGWIX-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001514949495 1265385009 /nfs/dbraw/zinc/38/50/09/1265385009.db2.gz LXACUZUXABGWIX-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001514949495 1265385019 /nfs/dbraw/zinc/38/50/19/1265385019.db2.gz LXACUZUXABGWIX-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001333634637 1266659874 /nfs/dbraw/zinc/65/98/74/1266659874.db2.gz JODQIQBBLSWBQS-HZPDHXFCSA-N 2 1 351.495 0.452 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC001335190878 1267396641 /nfs/dbraw/zinc/39/66/41/1267396641.db2.gz WDLQEMHWUFZTEX-XYJFISCASA-N 2 1 369.506 0.123 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)[NH+]1CCOCC1 ZINC001540544132 1267452027 /nfs/dbraw/zinc/45/20/27/1267452027.db2.gz OJUPUTLHHDMEIU-NJAFHUGGSA-N 2 1 352.523 0.628 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)[NH+]1CCOCC1 ZINC001540544132 1267452028 /nfs/dbraw/zinc/45/20/28/1267452028.db2.gz OJUPUTLHHDMEIU-NJAFHUGGSA-N 2 1 352.523 0.628 20 0 FCADMP Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ncc1C(N)=O ZINC001542526011 1267497856 /nfs/dbraw/zinc/49/78/56/1267497856.db2.gz MQRPVFGECUTYLG-UHFFFAOYSA-N 2 1 359.474 0.777 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572264 1267500258 /nfs/dbraw/zinc/50/02/58/1267500258.db2.gz JSZCZHAUKCKISE-LSDHHAIUSA-N 2 1 354.495 0.107 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)n2C ZINC001548998978 1267785812 /nfs/dbraw/zinc/78/58/12/1267785812.db2.gz YGTPWAHRZBISPI-BPLDGKMQSA-N 2 1 372.473 0.752 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)n2C ZINC001548998978 1267785815 /nfs/dbraw/zinc/78/58/15/1267785815.db2.gz YGTPWAHRZBISPI-BPLDGKMQSA-N 2 1 372.473 0.752 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001549033430 1267793167 /nfs/dbraw/zinc/79/31/67/1267793167.db2.gz IZSSTQWKISBBKR-OKZBNKHCSA-N 2 1 363.506 0.810 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC001549073941 1267799195 /nfs/dbraw/zinc/79/91/95/1267799195.db2.gz CXJCTBQANBOGLT-UHFFFAOYSA-N 2 1 360.506 0.677 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117819 1267814964 /nfs/dbraw/zinc/81/49/64/1267814964.db2.gz VBSQWCIFLBQIIV-JTDSTZFVSA-N 2 1 358.490 0.575 20 0 FCADMP CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C[C@H]1C[NH3+] ZINC001549212321 1267858409 /nfs/dbraw/zinc/85/84/09/1267858409.db2.gz AYFDITJFKDWWSP-VQHPVUNQSA-N 2 1 366.506 0.635 20 0 FCADMP CN(CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC001338424270 1267936726 /nfs/dbraw/zinc/93/67/26/1267936726.db2.gz RLDYPRMKNWEAHU-QGZVFWFLSA-N 2 1 355.504 0.495 20 0 FCADMP CN(CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC001338424270 1267936734 /nfs/dbraw/zinc/93/67/34/1267936734.db2.gz RLDYPRMKNWEAHU-QGZVFWFLSA-N 2 1 355.504 0.495 20 0 FCADMP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549742383 1267985584 /nfs/dbraw/zinc/98/55/84/1267985584.db2.gz TVTFCMBIMMGUKO-IRXDYDNUSA-N 2 1 354.458 0.931 20 0 FCADMP [NH3+]C[C@H](C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1CCOCC1 ZINC001549751091 1267987438 /nfs/dbraw/zinc/98/74/38/1267987438.db2.gz MTMWRYFXTMZLQD-ULQDDVLXSA-N 2 1 351.491 0.748 20 0 FCADMP [NH3+]C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1CCOCC1 ZINC001549751089 1267987990 /nfs/dbraw/zinc/98/79/90/1267987990.db2.gz MTMWRYFXTMZLQD-BBWFWOEESA-N 2 1 351.491 0.748 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cn1 ZINC001549838886 1268008799 /nfs/dbraw/zinc/00/87/99/1268008799.db2.gz ZZOQOADYDMHLOF-DLBZAZTESA-N 2 1 361.490 0.818 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CCC[N@@H+](CCO)C3)cn2)CC1 ZINC001550040871 1268060723 /nfs/dbraw/zinc/06/07/23/1268060723.db2.gz LUQCUUJDPZCGSS-AWEZNQCLSA-N 2 1 350.467 0.728 20 0 FCADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)CC(=O)N1C1CC1 ZINC001550133135 1268080104 /nfs/dbraw/zinc/08/01/04/1268080104.db2.gz LYWNKYUWYWHEQX-KXBFYZLASA-N 2 1 374.489 0.025 20 0 FCADMP Cn1nccc1[C@H]1[C@@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)CC(=O)N1C1CC1 ZINC001550133134 1268080270 /nfs/dbraw/zinc/08/02/70/1268080270.db2.gz LYWNKYUWYWHEQX-HNAYVOBHSA-N 2 1 374.489 0.025 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486177 1268127300 /nfs/dbraw/zinc/12/73/00/1268127300.db2.gz KENYMCKZBHEERW-VBXOEGAOSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486177 1268127303 /nfs/dbraw/zinc/12/73/03/1268127303.db2.gz KENYMCKZBHEERW-VBXOEGAOSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486177 1268127309 /nfs/dbraw/zinc/12/73/09/1268127309.db2.gz KENYMCKZBHEERW-VBXOEGAOSA-N 2 1 365.518 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540295 1268129878 /nfs/dbraw/zinc/12/98/78/1268129878.db2.gz BCMWVQKMUICMEV-BRWVUGGUSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540295 1268129879 /nfs/dbraw/zinc/12/98/79/1268129879.db2.gz BCMWVQKMUICMEV-BRWVUGGUSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540295 1268129883 /nfs/dbraw/zinc/12/98/83/1268129883.db2.gz BCMWVQKMUICMEV-BRWVUGGUSA-N 2 1 374.485 0.836 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001550595386 1268139311 /nfs/dbraw/zinc/13/93/11/1268139311.db2.gz IRMYGKBXMAKGKU-IRXDYDNUSA-N 2 1 351.491 0.857 20 0 FCADMP CN(C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1(C[NH3+])CCOCC1 ZINC001550741946 1268159307 /nfs/dbraw/zinc/15/93/07/1268159307.db2.gz JCZCKFJRLXWZEM-JKSUJKDBSA-N 2 1 366.506 0.779 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@H]4NCC(=O)N[C@@H]4C3)C2)cc1 ZINC001550751966 1268161421 /nfs/dbraw/zinc/16/14/21/1268161421.db2.gz ROGWHFVLYSYMCJ-RCCFBDPRSA-N 2 1 371.485 0.441 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[NH2+]CC(=O)N[C@@H]4C3)C2)cc1 ZINC001550751966 1268161434 /nfs/dbraw/zinc/16/14/34/1268161434.db2.gz ROGWHFVLYSYMCJ-RCCFBDPRSA-N 2 1 371.485 0.441 20 0 FCADMP O=C(NCc1cnn2c1C[NH2+]CC2)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001550754326 1268162551 /nfs/dbraw/zinc/16/25/51/1268162551.db2.gz JGTHDPNBLWCUDF-KBPBESRZSA-N 2 1 358.368 0.328 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[N@@H+](C)C1 ZINC001550762510 1268164052 /nfs/dbraw/zinc/16/40/52/1268164052.db2.gz POSYPHWMEAIJQA-ARFHVFGLSA-N 2 1 354.495 0.506 20 0 FCADMP [NH3+]CC1(c2ccccc2)CC(NC(=O)NCc2cnn3c2C[NH2+]CC3)C1 ZINC001550758925 1268164764 /nfs/dbraw/zinc/16/47/64/1268164764.db2.gz WPYPSIRSWIBDMT-UHFFFAOYSA-N 2 1 354.458 0.845 20 0 FCADMP C[NH+]1CCCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339153243 1268177372 /nfs/dbraw/zinc/17/73/72/1268177372.db2.gz PDCCVSRQSADDHS-HOTGVXAUSA-N 2 1 370.563 0.921 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001551156007 1268208919 /nfs/dbraw/zinc/20/89/19/1268208919.db2.gz ACOIKYDZHSZPND-DHADLLTHSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[N@H+]1CCOC[C@H]1[C@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387261 1268230699 /nfs/dbraw/zinc/23/06/99/1268230699.db2.gz JAOROQLYJROFTR-ROUUACIJSA-N 2 1 374.485 0.858 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464314 1268256387 /nfs/dbraw/zinc/25/63/87/1268256387.db2.gz NVQMCESNRYRHSG-BZUAXINKSA-N 2 1 354.495 0.242 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551579640 1268277833 /nfs/dbraw/zinc/27/78/33/1268277833.db2.gz OSDCQQJTMTVBKA-UXLLHSPISA-N 2 1 365.522 0.805 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551595557 1268282161 /nfs/dbraw/zinc/28/21/61/1268282161.db2.gz RGPJSKSUOSDBOB-XYJFISCASA-N 2 1 365.522 0.615 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596458 1268282214 /nfs/dbraw/zinc/28/22/14/1268282214.db2.gz UASMDMQBCNVCFI-VKZRIFJHSA-N 2 1 365.522 0.615 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@@H+]1C ZINC001551937976 1268317073 /nfs/dbraw/zinc/31/70/73/1268317073.db2.gz IYHFECHBMQHDHH-BYNSBNAKSA-N 2 1 362.478 0.499 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@H+]1C ZINC001551937976 1268317090 /nfs/dbraw/zinc/31/70/90/1268317090.db2.gz IYHFECHBMQHDHH-BYNSBNAKSA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001552008873 1268350758 /nfs/dbraw/zinc/35/07/58/1268350758.db2.gz BQCQDRZYZQOQMT-IXDOHACOSA-N 2 1 353.511 0.127 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC1 ZINC001552089759 1268369482 /nfs/dbraw/zinc/36/94/82/1268369482.db2.gz CFGASGQZFYPGNY-IRXDYDNUSA-N 2 1 363.506 0.601 20 0 FCADMP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]Cc3ccccc32)nn1 ZINC001552162516 1268396093 /nfs/dbraw/zinc/39/60/93/1268396093.db2.gz APKIZDBUIUSPFA-YOEHRIQHSA-N 2 1 356.430 0.116 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C ZINC001552166976 1268397526 /nfs/dbraw/zinc/39/75/26/1268397526.db2.gz QBDCIPYYTIKXMC-RYQLBKOJSA-N 2 1 361.490 0.355 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)nn1 ZINC001552167556 1268399807 /nfs/dbraw/zinc/39/98/07/1268399807.db2.gz NWPDVSJGFUESPO-LJIGWXMPSA-N 2 1 362.478 0.065 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cnn1C ZINC001552167857 1268400068 /nfs/dbraw/zinc/40/00/68/1268400068.db2.gz KJKBTPUWJBJZFF-NEWSRXKRSA-N 2 1 374.533 0.270 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)C[C@@H]1C ZINC001552168325 1268401078 /nfs/dbraw/zinc/40/10/78/1268401078.db2.gz UEDYAMQKRZKOFJ-JKQORVJESA-N 2 1 364.494 0.311 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)c2cccs2)CC1 ZINC001552200318 1268407277 /nfs/dbraw/zinc/40/72/77/1268407277.db2.gz KSYWFIOHMGZJQW-IIDMSEBBSA-N 2 1 364.515 0.389 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202168 1268408108 /nfs/dbraw/zinc/40/81/08/1268408108.db2.gz BUAIZRWHICNVGJ-TZIWHRDSSA-N 2 1 372.513 0.676 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606550 1268488893 /nfs/dbraw/zinc/48/88/93/1268488893.db2.gz CGBFXMVBSYPCBC-BZUAXINKSA-N 2 1 363.510 0.895 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272976 1268493705 /nfs/dbraw/zinc/49/37/05/1268493705.db2.gz OVOKWDVMDBOAKQ-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272976 1268493710 /nfs/dbraw/zinc/49/37/10/1268493710.db2.gz OVOKWDVMDBOAKQ-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272976 1268493717 /nfs/dbraw/zinc/49/37/17/1268493717.db2.gz OVOKWDVMDBOAKQ-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272976 1268493726 /nfs/dbraw/zinc/49/37/26/1268493726.db2.gz OVOKWDVMDBOAKQ-XHSDSOJGSA-N 2 1 351.499 0.703 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001552696688 1268524458 /nfs/dbraw/zinc/52/44/58/1268524458.db2.gz XBFFSFZEFYZLAN-MRXNPFEDSA-N 2 1 360.506 0.729 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)C1 ZINC001552696688 1268524463 /nfs/dbraw/zinc/52/44/63/1268524463.db2.gz XBFFSFZEFYZLAN-MRXNPFEDSA-N 2 1 360.506 0.729 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)C1 ZINC001552696688 1268524468 /nfs/dbraw/zinc/52/44/68/1268524468.db2.gz XBFFSFZEFYZLAN-MRXNPFEDSA-N 2 1 360.506 0.729 20 0 FCADMP CCC1([NH+](C)C)CCN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552711971 1268531249 /nfs/dbraw/zinc/53/12/49/1268531249.db2.gz MERTZEKBFNMEJG-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP CCC1([NH+](C)C)CCN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552711971 1268531251 /nfs/dbraw/zinc/53/12/51/1268531251.db2.gz MERTZEKBFNMEJG-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001552712340 1268532368 /nfs/dbraw/zinc/53/23/68/1268532368.db2.gz SQUDGBPTCFTJSJ-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001552712340 1268532374 /nfs/dbraw/zinc/53/23/74/1268532374.db2.gz SQUDGBPTCFTJSJ-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NCC[NH+]2CCCC(C)(C)C2)n1 ZINC001552722391 1268536067 /nfs/dbraw/zinc/53/60/67/1268536067.db2.gz RLCCBLHTVLASFF-INIZCTEOSA-N 2 1 363.506 0.839 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NCC[NH+]2CCCC(C)(C)C2)n1 ZINC001552722391 1268536069 /nfs/dbraw/zinc/53/60/69/1268536069.db2.gz RLCCBLHTVLASFF-INIZCTEOSA-N 2 1 363.506 0.839 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001552722391 1268536078 /nfs/dbraw/zinc/53/60/78/1268536078.db2.gz RLCCBLHTVLASFF-INIZCTEOSA-N 2 1 363.506 0.839 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC001552722391 1268536085 /nfs/dbraw/zinc/53/60/85/1268536085.db2.gz RLCCBLHTVLASFF-INIZCTEOSA-N 2 1 363.506 0.839 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552798893 1268549852 /nfs/dbraw/zinc/54/98/52/1268549852.db2.gz GERRVTNDLMXSRX-KZNAEPCWSA-N 2 1 368.522 0.726 20 0 FCADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001340637295 1268611981 /nfs/dbraw/zinc/61/19/81/1268611981.db2.gz RKDCQQFBFSSRSI-OLZOCXBDSA-N 2 1 355.401 0.316 20 0 FCADMP CCCNC(=O)c1cccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553392075 1268641810 /nfs/dbraw/zinc/64/18/10/1268641810.db2.gz JTSIEXUWUJCEJV-XLIONFOSSA-N 2 1 358.486 0.984 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553389034 1268642866 /nfs/dbraw/zinc/64/28/66/1268642866.db2.gz ICMGRXKNPSDPQB-QRWLVFNGSA-N 2 1 370.453 0.815 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553389030 1268642878 /nfs/dbraw/zinc/64/28/78/1268642878.db2.gz ICMGRXKNPSDPQB-FOIQADDNSA-N 2 1 370.453 0.815 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553415573 1268647709 /nfs/dbraw/zinc/64/77/09/1268647709.db2.gz YXJGZQXVMLUFJU-GBESFXJTSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C[C@@H](C)O1 ZINC001553426321 1268648643 /nfs/dbraw/zinc/64/86/43/1268648643.db2.gz YDBHAJLVYQLSLW-OAGGEKHMSA-N 2 1 368.522 0.942 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)CC1 ZINC001553440737 1268650473 /nfs/dbraw/zinc/65/04/73/1268650473.db2.gz BCVZNRRYECKSSC-LDLYASANSA-N 2 1 357.502 0.780 20 0 FCADMP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553503107 1268659992 /nfs/dbraw/zinc/65/99/92/1268659992.db2.gz MRIGJKGSAVAEJJ-XMTFNYHQSA-N 2 1 366.506 0.384 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509944 1268661130 /nfs/dbraw/zinc/66/11/30/1268661130.db2.gz XGJZMXOHJNKEND-WCVJEAGWSA-N 2 1 354.495 0.633 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509944 1268661140 /nfs/dbraw/zinc/66/11/40/1268661140.db2.gz XGJZMXOHJNKEND-WCVJEAGWSA-N 2 1 354.495 0.633 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553553615 1268669120 /nfs/dbraw/zinc/66/91/20/1268669120.db2.gz VXUPBFXCMWTLAP-VVLHAWIVSA-N 3 1 353.486 0.687 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553553615 1268669127 /nfs/dbraw/zinc/66/91/27/1268669127.db2.gz VXUPBFXCMWTLAP-VVLHAWIVSA-N 2 1 353.486 0.687 20 0 FCADMP CC[C@@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001553641560 1268673207 /nfs/dbraw/zinc/67/32/07/1268673207.db2.gz ORLAAAPIHCPYSU-RHSMWYFYSA-N 2 1 363.506 0.979 20 0 FCADMP CC[C@@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001553641560 1268673216 /nfs/dbraw/zinc/67/32/16/1268673216.db2.gz ORLAAAPIHCPYSU-RHSMWYFYSA-N 2 1 363.506 0.979 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc2c1C[NH2+]C2 ZINC001340881722 1268692664 /nfs/dbraw/zinc/69/26/64/1268692664.db2.gz PCEYNSYJTIZKPN-GOSISDBHSA-N 2 1 372.469 0.942 20 0 FCADMP CNC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC001340931989 1268715016 /nfs/dbraw/zinc/71/50/16/1268715016.db2.gz NWGIDKVQARLKRN-IYBDPMFKSA-N 2 1 357.458 0.482 20 0 FCADMP CNC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC001340931989 1268715024 /nfs/dbraw/zinc/71/50/24/1268715024.db2.gz NWGIDKVQARLKRN-IYBDPMFKSA-N 2 1 357.458 0.482 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21 ZINC001341117985 1268791823 /nfs/dbraw/zinc/79/18/23/1268791823.db2.gz CASDTMKHHQKKKZ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001341117985 1268791830 /nfs/dbraw/zinc/79/18/30/1268791830.db2.gz CASDTMKHHQKKKZ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001341117985 1268791833 /nfs/dbraw/zinc/79/18/33/1268791833.db2.gz CASDTMKHHQKKKZ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC001341117984 1268792067 /nfs/dbraw/zinc/79/20/67/1268792067.db2.gz CASDTMKHHQKKKZ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001341117984 1268792075 /nfs/dbraw/zinc/79/20/75/1268792075.db2.gz CASDTMKHHQKKKZ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001341117984 1268792079 /nfs/dbraw/zinc/79/20/79/1268792079.db2.gz CASDTMKHHQKKKZ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001342271918 1269413891 /nfs/dbraw/zinc/41/38/91/1269413891.db2.gz PUWGPLZBXCSQFE-SQWLQELKSA-N 2 1 357.376 0.890 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001566041020 1269571287 /nfs/dbraw/zinc/57/12/87/1269571287.db2.gz YOEGXBXHQMGAFR-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001566041020 1269571294 /nfs/dbraw/zinc/57/12/94/1269571294.db2.gz YOEGXBXHQMGAFR-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001566041020 1269571299 /nfs/dbraw/zinc/57/12/99/1269571299.db2.gz YOEGXBXHQMGAFR-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2CN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC001342828461 1269628918 /nfs/dbraw/zinc/62/89/18/1269628918.db2.gz BVKHVVPGFIVUFE-BBWFWOEESA-N 2 1 365.522 0.522 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001567035922 1269675386 /nfs/dbraw/zinc/67/53/86/1269675386.db2.gz LARIHNYVAUCBGV-SJLPKXTDSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001567442581 1269694888 /nfs/dbraw/zinc/69/48/88/1269694888.db2.gz JXMUIUCNDJQBBQ-DGCLKSJQSA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NCC(F)(F)F)C2CC2)CC[N@H+]1C ZINC001567442581 1269694892 /nfs/dbraw/zinc/69/48/92/1269694892.db2.gz JXMUIUCNDJQBBQ-DGCLKSJQSA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NCC(F)(F)F)C2CC2)CC[NH+]1C ZINC001567442581 1269694900 /nfs/dbraw/zinc/69/49/00/1269694900.db2.gz JXMUIUCNDJQBBQ-DGCLKSJQSA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NCC(F)(F)F)C2CC2)CC[NH+]1C ZINC001567442581 1269694902 /nfs/dbraw/zinc/69/49/02/1269694902.db2.gz JXMUIUCNDJQBBQ-DGCLKSJQSA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1OC ZINC001343102730 1269772175 /nfs/dbraw/zinc/77/21/75/1269772175.db2.gz PPRPZXIBXOSCNO-HUUCEWRRSA-N 2 1 365.478 0.037 20 0 FCADMP COC[C@H](O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001569469133 1269786580 /nfs/dbraw/zinc/78/65/80/1269786580.db2.gz IFAFYCGLMFOTFP-BRWVUGGUSA-N 2 1 353.507 0.648 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001343452954 1269913298 /nfs/dbraw/zinc/91/32/98/1269913298.db2.gz NIACUUAGEDTWNM-IBGZPJMESA-N 2 1 359.518 0.344 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001571331261 1269927743 /nfs/dbraw/zinc/92/77/43/1269927743.db2.gz OHFVIMPEVIORTL-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001571331261 1269927745 /nfs/dbraw/zinc/92/77/45/1269927745.db2.gz OHFVIMPEVIORTL-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001571331261 1269927747 /nfs/dbraw/zinc/92/77/47/1269927747.db2.gz OHFVIMPEVIORTL-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC001343605684 1269959458 /nfs/dbraw/zinc/95/94/58/1269959458.db2.gz PQCIPQCFKYSAME-SJORKVTESA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001343866095 1270035234 /nfs/dbraw/zinc/03/52/34/1270035234.db2.gz KQQKETOIXGMDAR-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001343866095 1270035237 /nfs/dbraw/zinc/03/52/37/1270035237.db2.gz KQQKETOIXGMDAR-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC001344575981 1270206426 /nfs/dbraw/zinc/20/64/26/1270206426.db2.gz OWRMYJIFCIZSGN-UHFFFAOYSA-N 2 1 358.446 0.272 20 0 FCADMP CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH2+]CC2)C1 ZINC001573759949 1270871959 /nfs/dbraw/zinc/87/19/59/1270871959.db2.gz LESHURIABHVMKS-OAHLLOKOSA-N 2 1 363.510 0.558 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209260 1271094286 /nfs/dbraw/zinc/09/42/86/1271094286.db2.gz DGAPWVXPOQEHOM-BBRMVZONSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255962 1271127470 /nfs/dbraw/zinc/12/74/70/1271127470.db2.gz VZZDOYFMZFKITF-KGLIPLIRSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255963 1271127567 /nfs/dbraw/zinc/12/75/67/1271127567.db2.gz VZZDOYFMZFKITF-UONOGXRCSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574260828 1271135539 /nfs/dbraw/zinc/13/55/39/1271135539.db2.gz YSMIPKQCQGWDKU-UHFFFAOYSA-N 2 1 372.477 0.722 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574264819 1271141297 /nfs/dbraw/zinc/14/12/97/1271141297.db2.gz PGTBLVOSPQWXMK-VQFNDLOPSA-N 2 1 369.473 0.753 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574264819 1271141300 /nfs/dbraw/zinc/14/13/00/1271141300.db2.gz PGTBLVOSPQWXMK-VQFNDLOPSA-N 2 1 369.473 0.753 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574264819 1271141308 /nfs/dbraw/zinc/14/13/08/1271141308.db2.gz PGTBLVOSPQWXMK-VQFNDLOPSA-N 2 1 369.473 0.753 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288019 1271162974 /nfs/dbraw/zinc/16/29/74/1271162974.db2.gz DDLAVEUZZXVULT-ZENOOKHLSA-N 2 1 370.461 0.616 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596083 1271395224 /nfs/dbraw/zinc/39/52/24/1271395224.db2.gz HVTDGTFZHVVAGB-CJNGLKHVSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896673 1271659444 /nfs/dbraw/zinc/65/94/44/1271659444.db2.gz GGRVIWKBMQIMQY-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908561 1271672272 /nfs/dbraw/zinc/67/22/72/1271672272.db2.gz JHASYENFHTZDTR-CHWSQXEVSA-N 2 1 358.450 0.475 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437704 1272106349 /nfs/dbraw/zinc/10/63/49/1272106349.db2.gz CJWOKJUXNPGRED-ZIAGYGMSSA-N 2 1 372.477 0.673 20 0 FCADMP C[C@@H]([NH2+]CCc1c[nH]nn1)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689953 1272301776 /nfs/dbraw/zinc/30/17/76/1272301776.db2.gz JLTHOIPGWWSGOV-RHSMWYFYSA-N 2 1 364.494 0.285 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989785 1272651622 /nfs/dbraw/zinc/65/16/22/1272651622.db2.gz CJGWVDUHHYYXJX-ILXRZTDVSA-N 2 1 363.510 0.684 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)[NH3+] ZINC001576104622 1272887535 /nfs/dbraw/zinc/88/75/35/1272887535.db2.gz HGCNECOYVZVCAU-UONOGXRCSA-N 2 1 357.499 0.964 20 0 FCADMP CC1(C)COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@H]([NH3+])C1 ZINC001576484282 1273329422 /nfs/dbraw/zinc/32/94/22/1273329422.db2.gz QXVZCGILRPOMET-HNNXBMFYSA-N 2 1 371.489 0.988 20 0 FCADMP CC1(C)COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@H]([NH3+])C1 ZINC001576484282 1273329429 /nfs/dbraw/zinc/32/94/29/1273329429.db2.gz QXVZCGILRPOMET-HNNXBMFYSA-N 2 1 371.489 0.988 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486380 1273336562 /nfs/dbraw/zinc/33/65/62/1273336562.db2.gz UZJFZDWVFMVVCH-CVEARBPZSA-N 2 1 350.467 0.386 20 0 FCADMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576505230 1273371603 /nfs/dbraw/zinc/37/16/03/1273371603.db2.gz FZOPKKXCIGIGTF-OAHLLOKOSA-N 2 1 363.441 0.894 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576516969 1273400276 /nfs/dbraw/zinc/40/02/76/1273400276.db2.gz JULYTMJSOJTBKD-UHFFFAOYSA-N 2 1 364.494 0.776 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576516969 1273400279 /nfs/dbraw/zinc/40/02/79/1273400279.db2.gz JULYTMJSOJTBKD-UHFFFAOYSA-N 2 1 364.494 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576516969 1273400283 /nfs/dbraw/zinc/40/02/83/1273400283.db2.gz JULYTMJSOJTBKD-UHFFFAOYSA-N 2 1 364.494 0.776 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576516969 1273400288 /nfs/dbraw/zinc/40/02/88/1273400288.db2.gz JULYTMJSOJTBKD-UHFFFAOYSA-N 2 1 364.494 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576516969 1273400291 /nfs/dbraw/zinc/40/02/91/1273400291.db2.gz JULYTMJSOJTBKD-UHFFFAOYSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001576605957 1273476623 /nfs/dbraw/zinc/47/66/23/1273476623.db2.gz NUWLSWJKRRRHMX-YZDRTPDPSA-N 2 1 351.495 0.591 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795228 1273696306 /nfs/dbraw/zinc/69/63/06/1273696306.db2.gz HQZJZOSSZYENJY-VXGBXAGGSA-N 2 1 363.491 0.864 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796306 1273700218 /nfs/dbraw/zinc/70/02/18/1273700218.db2.gz OEGGUSZIVZCQJX-JKSUJKDBSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796306 1273700223 /nfs/dbraw/zinc/70/02/23/1273700223.db2.gz OEGGUSZIVZCQJX-JKSUJKDBSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805581 1273712934 /nfs/dbraw/zinc/71/29/34/1273712934.db2.gz IQSFXAQSDZWPFH-KBPBESRZSA-N 2 1 372.477 0.641 20 0 FCADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825770 1273749911 /nfs/dbraw/zinc/74/99/11/1273749911.db2.gz WBJHLUMKOACUHU-CYBMUJFWSA-N 2 1 360.466 0.639 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847534 1273792192 /nfs/dbraw/zinc/79/21/92/1273792192.db2.gz GGXIJEDMSFCDIL-DVOMOZLQSA-N 2 1 372.477 0.721 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902878 1273908785 /nfs/dbraw/zinc/90/87/85/1273908785.db2.gz GHEAOACJRZJPSZ-HZPDHXFCSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902878 1273908809 /nfs/dbraw/zinc/90/88/09/1273908809.db2.gz GHEAOACJRZJPSZ-HZPDHXFCSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902878 1273908814 /nfs/dbraw/zinc/90/88/14/1273908814.db2.gz GHEAOACJRZJPSZ-HZPDHXFCSA-N 2 1 362.478 0.181 20 0 FCADMP CCC[N@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001577530288 1274473813 /nfs/dbraw/zinc/47/38/13/1274473813.db2.gz ISKLGIXGAXAFRQ-JKSUJKDBSA-N 2 1 366.510 0.710 20 0 FCADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001577530639 1274474405 /nfs/dbraw/zinc/47/44/05/1274474405.db2.gz MJMSYCVQWWDWOJ-HOCLYGCPSA-N 2 1 358.494 0.948 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558191 1274500847 /nfs/dbraw/zinc/50/08/47/1274500847.db2.gz CTMUVSZPVDQFLV-KGLIPLIRSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577558208 1274501449 /nfs/dbraw/zinc/50/14/49/1274501449.db2.gz DAVOTQZGXOUKPV-LBPRGKRZSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558943 1274503749 /nfs/dbraw/zinc/50/37/49/1274503749.db2.gz OLMIAONZZGJMHD-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577564893 1274519635 /nfs/dbraw/zinc/51/96/35/1274519635.db2.gz CGYFXOOOHQIWAB-IYBDPMFKSA-N 2 1 357.462 0.945 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577564961 1274519895 /nfs/dbraw/zinc/51/98/95/1274519895.db2.gz FJFVRJCBYNKCBP-IYBDPMFKSA-N 2 1 357.462 0.945 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567206 1274523221 /nfs/dbraw/zinc/52/32/21/1274523221.db2.gz ALEYUWKCIQPJKF-UHFFFAOYSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568155 1274526024 /nfs/dbraw/zinc/52/60/24/1274526024.db2.gz MILBSXFWVFQTHN-CYBMUJFWSA-N 2 1 360.466 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577568081 1274526102 /nfs/dbraw/zinc/52/61/02/1274526102.db2.gz MEQYFKYAMNZILW-ZIAGYGMSSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570647 1274531931 /nfs/dbraw/zinc/53/19/31/1274531931.db2.gz BXBALXKOMTZDJD-OLZOCXBDSA-N 2 1 360.466 0.721 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577571348 1274533521 /nfs/dbraw/zinc/53/35/21/1274533521.db2.gz YKFFWFQFGLMFKU-CYBMUJFWSA-N 2 1 360.466 0.935 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573983 1274538189 /nfs/dbraw/zinc/53/81/89/1274538189.db2.gz JKODRGMXAFNGOU-OKILXGFUSA-N 2 1 372.477 0.722 20 0 FCADMP CCCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577604176 1274573929 /nfs/dbraw/zinc/57/39/29/1274573929.db2.gz NXQLWIXJKQOCIU-CQSZACIVSA-N 2 1 372.477 0.936 20 0 FCADMP CCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577604176 1274573935 /nfs/dbraw/zinc/57/39/35/1274573935.db2.gz NXQLWIXJKQOCIU-CQSZACIVSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667155 1274684274 /nfs/dbraw/zinc/68/42/74/1274684274.db2.gz BGAKDSLUPGZGDD-XJKSGUPXSA-N 2 1 372.477 0.722 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001577763576 1274846830 /nfs/dbraw/zinc/84/68/30/1274846830.db2.gz FMAFDKLACIJTNN-GJZGRUSLSA-N 2 1 356.478 0.862 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001577805896 1274910001 /nfs/dbraw/zinc/91/00/01/1274910001.db2.gz YLGIELHGFLEUIX-KRWDZBQOSA-N 2 1 364.494 0.430 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577866869 1275048320 /nfs/dbraw/zinc/04/83/20/1275048320.db2.gz NZIGBYPGDLWRBX-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577866869 1275048325 /nfs/dbraw/zinc/04/83/25/1275048325.db2.gz NZIGBYPGDLWRBX-CYBMUJFWSA-N 2 1 358.450 0.689 20 0 FCADMP O=C(N[C@H](C[NH2+]CCc1c[nH]nn1)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001577974530 1275198427 /nfs/dbraw/zinc/19/84/27/1275198427.db2.gz IJFGXZAEAICAHN-ZWKOTPCHSA-N 2 1 360.506 0.954 20 0 FCADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577975474 1275203633 /nfs/dbraw/zinc/20/36/33/1275203633.db2.gz FNMUNBKZMUXIIO-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577975474 1275203637 /nfs/dbraw/zinc/20/36/37/1275203637.db2.gz FNMUNBKZMUXIIO-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578004928 1275265071 /nfs/dbraw/zinc/26/50/71/1275265071.db2.gz WSPIFBAWVWOYFA-ZDUSSCGKSA-N 2 1 372.477 0.854 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001578109821 1275411946 /nfs/dbraw/zinc/41/19/46/1275411946.db2.gz JIPBYQCRLRLBRD-ZDUSSCGKSA-N 2 1 372.477 0.594 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001578135552 1275433294 /nfs/dbraw/zinc/43/32/94/1275433294.db2.gz CSADNTFBLKHVKM-UHFFFAOYSA-N 2 1 358.450 0.428 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001578135878 1275434529 /nfs/dbraw/zinc/43/45/29/1275434529.db2.gz JGTPBYDLGWBEJQ-ZDUSSCGKSA-N 2 1 358.450 0.286 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001578135696 1275434860 /nfs/dbraw/zinc/43/48/60/1275434860.db2.gz FVMDAIYCMWEZTF-UHFFFAOYSA-N 2 1 374.493 0.922 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219908 1275516404 /nfs/dbraw/zinc/51/64/04/1275516404.db2.gz SMJNNFXZTAOFBU-BBRMVZONSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220869 1275518340 /nfs/dbraw/zinc/51/83/40/1275518340.db2.gz BHOBMWRHENMQOZ-DOMZBBRYSA-N 2 1 358.450 0.475 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578220992 1275518980 /nfs/dbraw/zinc/51/89/80/1275518980.db2.gz GZQJMBYODJXWSQ-XJKSGUPXSA-N 2 1 372.477 0.783 20 0 FCADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578305862 1275640110 /nfs/dbraw/zinc/64/01/10/1275640110.db2.gz QBQQYNDRTDIDCT-OWCLPIDISA-N 2 1 350.511 0.853 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH2+]C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578311663 1275651263 /nfs/dbraw/zinc/65/12/63/1275651263.db2.gz JMTGOBONPMCGGY-OAHLLOKOSA-N 2 1 350.511 0.997 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH2+]C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578311663 1275651271 /nfs/dbraw/zinc/65/12/71/1275651271.db2.gz JMTGOBONPMCGGY-OAHLLOKOSA-N 2 1 350.511 0.997 20 0 FCADMP CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001578326641 1275672635 /nfs/dbraw/zinc/67/26/35/1275672635.db2.gz MQAFTOQOXYHQKO-HNNXBMFYSA-N 2 1 365.526 0.030 20 0 FCADMP CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001578326641 1275672640 /nfs/dbraw/zinc/67/26/40/1275672640.db2.gz MQAFTOQOXYHQKO-HNNXBMFYSA-N 2 1 365.526 0.030 20 0 FCADMP CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001578326641 1275672647 /nfs/dbraw/zinc/67/26/47/1275672647.db2.gz MQAFTOQOXYHQKO-HNNXBMFYSA-N 2 1 365.526 0.030 20 0 FCADMP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578336061 1275690447 /nfs/dbraw/zinc/69/04/47/1275690447.db2.gz CXMGFPJOKNGMNY-ZENOOKHLSA-N 2 1 363.414 0.996 20 0 FCADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578336061 1275690455 /nfs/dbraw/zinc/69/04/55/1275690455.db2.gz CXMGFPJOKNGMNY-ZENOOKHLSA-N 2 1 363.414 0.996 20 0 FCADMP CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578404651 1275776684 /nfs/dbraw/zinc/77/66/84/1275776684.db2.gz QTYWITVSDNTZMX-OIISXLGYSA-N 2 1 358.442 0.755 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446584 1275832938 /nfs/dbraw/zinc/83/29/38/1275832938.db2.gz AYMCLRZCVLZNGC-DVOMOZLQSA-N 2 1 372.477 0.721 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446838 1275841200 /nfs/dbraw/zinc/84/12/00/1275841200.db2.gz HWMQXEOPGWTEMX-SLEUVZQESA-N 2 1 358.450 0.331 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001578532460 1275963080 /nfs/dbraw/zinc/96/30/80/1275963080.db2.gz HCQDGDPIACCDNQ-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)cc2)CC1 ZINC001578533116 1275963536 /nfs/dbraw/zinc/96/35/36/1275963536.db2.gz QDYQQHQWTDROFH-FXAWDEMLSA-N 2 1 372.469 0.069 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC1 ZINC001578533487 1275965344 /nfs/dbraw/zinc/96/53/44/1275965344.db2.gz KMOGXBBRCLQJKW-LJQANCHMSA-N 2 1 352.523 0.413 20 0 FCADMP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001578578152 1276011367 /nfs/dbraw/zinc/01/13/67/1276011367.db2.gz DGXJJFBRTUKICC-QPSCCSFWSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578586096 1276017833 /nfs/dbraw/zinc/01/78/33/1276017833.db2.gz WRJSCDFFEFIZFA-MRXNPFEDSA-N 2 1 373.505 0.640 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC001578680328 1276132631 /nfs/dbraw/zinc/13/26/31/1276132631.db2.gz IAEBJBKOYFJPFF-GASCZTMLSA-N 2 1 351.495 0.180 20 0 FCADMP O=C(c1cn(C2C[NH2+]C2)nn1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001580829726 1279007572 /nfs/dbraw/zinc/00/75/72/1279007572.db2.gz QUTHVRBFJYWXQT-UHFFFAOYSA-N 2 1 358.421 0.910 20 0 FCADMP O=C(c1cn(C2C[NH2+]C2)nn1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001580829726 1279007580 /nfs/dbraw/zinc/00/75/80/1279007580.db2.gz QUTHVRBFJYWXQT-UHFFFAOYSA-N 2 1 358.421 0.910 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCCC[N@@H+](C)CC(C)C)C2 ZINC001578841311 1276360354 /nfs/dbraw/zinc/36/03/54/1276360354.db2.gz BYRBJFGXHFSMGM-RVKKMQEKSA-N 2 1 354.495 0.886 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578970990 1276514721 /nfs/dbraw/zinc/51/47/21/1276514721.db2.gz PZNMLZTZEBOOKY-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578977992 1276533589 /nfs/dbraw/zinc/53/35/89/1276533589.db2.gz ZHWFYUYYGCZQIO-HOTGVXAUSA-N 2 1 370.461 0.783 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001578983754 1276550188 /nfs/dbraw/zinc/55/01/88/1276550188.db2.gz QLAUPZOURKHMEH-XJKSGUPXSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578987777 1276559827 /nfs/dbraw/zinc/55/98/27/1276559827.db2.gz RDDGGVNHHXBDCK-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578987777 1276559837 /nfs/dbraw/zinc/55/98/37/1276559837.db2.gz RDDGGVNHHXBDCK-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001578988253 1276562396 /nfs/dbraw/zinc/56/23/96/1276562396.db2.gz SQKPFAOBRRLDPJ-UGSOOPFHSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579006033 1276577720 /nfs/dbraw/zinc/57/77/20/1276577720.db2.gz LGZRHDDILKDWRD-ZDUSSCGKSA-N 2 1 372.477 0.674 20 0 FCADMP COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579014522 1276588038 /nfs/dbraw/zinc/58/80/38/1276588038.db2.gz PFMWJQBGBXMZFV-LPHOPBHVSA-N 2 1 371.489 0.846 20 0 FCADMP COCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579022449 1276601506 /nfs/dbraw/zinc/60/15/06/1276601506.db2.gz VSDRCUNLMJXFCK-INIZCTEOSA-N 2 1 373.505 0.640 20 0 FCADMP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326587 1277149774 /nfs/dbraw/zinc/14/97/74/1277149774.db2.gz PRKORLKSQKIAPY-LBPRGKRZSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579326466 1277149821 /nfs/dbraw/zinc/14/98/21/1277149821.db2.gz OGAZERVNQICRTD-MCIONIFRSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579326466 1277149822 /nfs/dbraw/zinc/14/98/22/1277149822.db2.gz OGAZERVNQICRTD-MCIONIFRSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326157 1277150171 /nfs/dbraw/zinc/15/01/71/1277150171.db2.gz MKOZKXGZXDJCQD-UGSOOPFHSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326306 1277150367 /nfs/dbraw/zinc/15/03/67/1277150367.db2.gz JJNHDTSKYOEIHN-QWHCGFSZSA-N 2 1 356.434 0.038 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579327294 1277154486 /nfs/dbraw/zinc/15/44/86/1277154486.db2.gz ZFRSGFSNWPMUIO-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579327294 1277154488 /nfs/dbraw/zinc/15/44/88/1277154488.db2.gz ZFRSGFSNWPMUIO-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579327294 1277154490 /nfs/dbraw/zinc/15/44/90/1277154490.db2.gz ZFRSGFSNWPMUIO-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331354 1277160265 /nfs/dbraw/zinc/16/02/65/1277160265.db2.gz AUXZVINJRJZYOI-DLBZAZTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331694 1277162851 /nfs/dbraw/zinc/16/28/51/1277162851.db2.gz GQVIJXQYSPAGBY-DOMZBBRYSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331694 1277162854 /nfs/dbraw/zinc/16/28/54/1277162854.db2.gz GQVIJXQYSPAGBY-DOMZBBRYSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333691 1277169374 /nfs/dbraw/zinc/16/93/74/1277169374.db2.gz RYVMWRUVPXWDLS-CABCVRRESA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333691 1277169378 /nfs/dbraw/zinc/16/93/78/1277169378.db2.gz RYVMWRUVPXWDLS-CABCVRRESA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333691 1277169382 /nfs/dbraw/zinc/16/93/82/1277169382.db2.gz RYVMWRUVPXWDLS-CABCVRRESA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333691 1277169384 /nfs/dbraw/zinc/16/93/84/1277169384.db2.gz RYVMWRUVPXWDLS-CABCVRRESA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333362 1277169417 /nfs/dbraw/zinc/16/94/17/1277169417.db2.gz QEHDLNDTLBMGSE-NVXWUHKLSA-N 2 1 369.473 0.803 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001579334314 1277170873 /nfs/dbraw/zinc/17/08/73/1277170873.db2.gz XBUPNQUDXHPJTM-AWEZNQCLSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334176 1277170923 /nfs/dbraw/zinc/17/09/23/1277170923.db2.gz UWSWUCXHNGKALH-UKRRQHHQSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334176 1277170925 /nfs/dbraw/zinc/17/09/25/1277170925.db2.gz UWSWUCXHNGKALH-UKRRQHHQSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334176 1277170926 /nfs/dbraw/zinc/17/09/26/1277170926.db2.gz UWSWUCXHNGKALH-UKRRQHHQSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334176 1277170927 /nfs/dbraw/zinc/17/09/27/1277170927.db2.gz UWSWUCXHNGKALH-UKRRQHHQSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579334944 1277173355 /nfs/dbraw/zinc/17/33/55/1277173355.db2.gz KEDNLBUHBGOXPG-WIHSUSGWSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335711 1277178021 /nfs/dbraw/zinc/17/80/21/1277178021.db2.gz UFHMQHVBGUIEFN-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335711 1277178023 /nfs/dbraw/zinc/17/80/23/1277178023.db2.gz UFHMQHVBGUIEFN-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335711 1277178024 /nfs/dbraw/zinc/17/80/24/1277178024.db2.gz UFHMQHVBGUIEFN-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339562 1277182888 /nfs/dbraw/zinc/18/28/88/1277182888.db2.gz JLNGUORAAYUXPX-DJIMGWMZSA-N 2 1 369.473 0.803 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340295 1277184807 /nfs/dbraw/zinc/18/48/07/1277184807.db2.gz TYBSFMLEJMXRFC-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340295 1277184848 /nfs/dbraw/zinc/18/48/48/1277184848.db2.gz TYBSFMLEJMXRFC-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340295 1277184850 /nfs/dbraw/zinc/18/48/50/1277184850.db2.gz TYBSFMLEJMXRFC-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340956 1277186550 /nfs/dbraw/zinc/18/65/50/1277186550.db2.gz DIJSJPJCMAMFRT-KGLIPLIRSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343654 1277193311 /nfs/dbraw/zinc/19/33/11/1277193311.db2.gz AXLMUKBESBEMHM-HSBZDZAISA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346537 1277198992 /nfs/dbraw/zinc/19/89/92/1277198992.db2.gz RJTCDBOIQNBYQF-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346537 1277198994 /nfs/dbraw/zinc/19/89/94/1277198994.db2.gz RJTCDBOIQNBYQF-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346537 1277198995 /nfs/dbraw/zinc/19/89/95/1277198995.db2.gz RJTCDBOIQNBYQF-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579347952 1277203085 /nfs/dbraw/zinc/20/30/85/1277203085.db2.gz RCJVGKKFXXKBMD-DJIMGWMZSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351631 1277208494 /nfs/dbraw/zinc/20/84/94/1277208494.db2.gz UMXXJSWRVLMZMV-ROUUACIJSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351631 1277208495 /nfs/dbraw/zinc/20/84/95/1277208495.db2.gz UMXXJSWRVLMZMV-ROUUACIJSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579353088 1277208632 /nfs/dbraw/zinc/20/86/32/1277208632.db2.gz CVZXKLMHIKDKOJ-CJNGLKHVSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353135 1277212222 /nfs/dbraw/zinc/21/22/22/1277212222.db2.gz DYAYRPFZUYQMKP-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353135 1277212228 /nfs/dbraw/zinc/21/22/28/1277212228.db2.gz DYAYRPFZUYQMKP-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353135 1277212230 /nfs/dbraw/zinc/21/22/30/1277212230.db2.gz DYAYRPFZUYQMKP-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353627 1277214910 /nfs/dbraw/zinc/21/49/10/1277214910.db2.gz QGXZGTYKGKCPHQ-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353627 1277214926 /nfs/dbraw/zinc/21/49/26/1277214926.db2.gz QGXZGTYKGKCPHQ-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353627 1277214934 /nfs/dbraw/zinc/21/49/34/1277214934.db2.gz QGXZGTYKGKCPHQ-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358686 1277226797 /nfs/dbraw/zinc/22/67/97/1277226797.db2.gz IEMWVHRBFZWAAX-IAGOWNOFSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001579358842 1277228243 /nfs/dbraw/zinc/22/82/43/1277228243.db2.gz KQGJCNFVORTXQN-HNNXBMFYSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359690 1277233523 /nfs/dbraw/zinc/23/35/23/1277233523.db2.gz ZWRWOPXWVCQLLN-HNNXBMFYSA-N 2 1 370.461 0.476 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361593 1277237481 /nfs/dbraw/zinc/23/74/81/1277237481.db2.gz OUYPRTDVJYQESS-GOEBONIOSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361593 1277237483 /nfs/dbraw/zinc/23/74/83/1277237483.db2.gz OUYPRTDVJYQESS-GOEBONIOSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361593 1277237485 /nfs/dbraw/zinc/23/74/85/1277237485.db2.gz OUYPRTDVJYQESS-GOEBONIOSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362790 1277240980 /nfs/dbraw/zinc/24/09/80/1277240980.db2.gz SWKPRYKZJFEWHK-KBPBESRZSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362790 1277240985 /nfs/dbraw/zinc/24/09/85/1277240985.db2.gz SWKPRYKZJFEWHK-KBPBESRZSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579371953 1277253282 /nfs/dbraw/zinc/25/32/82/1277253282.db2.gz FZPJZSNCPOKBHW-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381364 1277258437 /nfs/dbraw/zinc/25/84/37/1277258437.db2.gz WFRDMXQIFUXUNL-ILXRZTDVSA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381364 1277258447 /nfs/dbraw/zinc/25/84/47/1277258447.db2.gz WFRDMXQIFUXUNL-ILXRZTDVSA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381364 1277258457 /nfs/dbraw/zinc/25/84/57/1277258457.db2.gz WFRDMXQIFUXUNL-ILXRZTDVSA-N 2 1 358.446 0.490 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001579440077 1277316993 /nfs/dbraw/zinc/31/69/93/1277316993.db2.gz NPYQXDFOMWAJPZ-CQSZACIVSA-N 2 1 350.463 0.597 20 0 FCADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC001579473708 1277380440 /nfs/dbraw/zinc/38/04/40/1277380440.db2.gz JRWBVYVRQVNVPA-WBMJQRKESA-N 2 1 352.460 0.204 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001579700320 1277794365 /nfs/dbraw/zinc/79/43/65/1277794365.db2.gz MMEGDIFCXVHDHH-OUCADQQQSA-N 2 1 351.451 0.311 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001579700320 1277794370 /nfs/dbraw/zinc/79/43/70/1277794370.db2.gz MMEGDIFCXVHDHH-OUCADQQQSA-N 2 1 351.451 0.311 20 0 FCADMP Cc1[nH+]ccn1CCn1c(C2CC[NH2+]CC2)nnc1N1CCN(C)C(=O)C1 ZINC001579882783 1277948889 /nfs/dbraw/zinc/94/88/89/1277948889.db2.gz DXPHLZCSBMWWHE-UHFFFAOYSA-N 2 1 372.477 0.229 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001580088996 1278003667 /nfs/dbraw/zinc/00/36/67/1278003667.db2.gz GHVAMNBVQIXPGV-QAPCUYQASA-N 2 1 351.495 0.359 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccco1 ZINC001714390421 1287320605 /nfs/dbraw/zinc/32/06/05/1287320605.db2.gz FRMAVTOKTRPFGA-IIAWOOMASA-N 2 1 350.463 0.578 20 0 FCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580270788 1278063724 /nfs/dbraw/zinc/06/37/24/1278063724.db2.gz FBQCUAMMPFREHD-WCQYABFASA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580277024 1278073122 /nfs/dbraw/zinc/07/31/22/1278073122.db2.gz QVBBAVPGSHKHOV-AAEUAGOBSA-N 2 1 361.425 0.552 20 0 FCADMP Cc1cc(N2CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956599 1279159975 /nfs/dbraw/zinc/15/99/75/1279159975.db2.gz LJALKVSXLOWEMM-AWEZNQCLSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960393 1279163356 /nfs/dbraw/zinc/16/33/56/1279163356.db2.gz DDDPCMAUOVPBSJ-ZIAGYGMSSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991414 1279195061 /nfs/dbraw/zinc/19/50/61/1279195061.db2.gz OQFWJEJYACMHCU-CHWSQXEVSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991422 1279195390 /nfs/dbraw/zinc/19/53/90/1279195390.db2.gz OSEWUGLJGZKDGH-CZUORRHYSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996035 1279207439 /nfs/dbraw/zinc/20/74/39/1279207439.db2.gz UNWMVTHAVOYNQF-GFCCVEGCSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002386 1279219685 /nfs/dbraw/zinc/21/96/85/1279219685.db2.gz PRTKHDSDMDAYHW-UONOGXRCSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002384 1279219743 /nfs/dbraw/zinc/21/97/43/1279219743.db2.gz PRTKHDSDMDAYHW-KBPBESRZSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025162 1279257816 /nfs/dbraw/zinc/25/78/16/1279257816.db2.gz QASRCQNHMBZDQE-IAQYHMDHSA-N 2 1 358.450 0.393 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCOCC3)CCCC2)CC[N@H+]1C ZINC001715299487 1287348997 /nfs/dbraw/zinc/34/89/97/1287348997.db2.gz LDLLWUOMRXPDOG-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2csc(C3CC3)n2)CC[N@@H+]1C ZINC001716088165 1287369859 /nfs/dbraw/zinc/36/98/59/1287369859.db2.gz WBVDWXNXXSIFMV-KCPJHIHWSA-N 2 1 352.504 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2csc(C3CC3)n2)CC[N@H+]1C ZINC001716088165 1287369864 /nfs/dbraw/zinc/36/98/64/1287369864.db2.gz WBVDWXNXXSIFMV-KCPJHIHWSA-N 2 1 352.504 0.927 20 0 FCADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716103411 1287373360 /nfs/dbraw/zinc/37/33/60/1287373360.db2.gz PIPBKTRDFXVXLH-QRVBRYPASA-N 2 1 371.485 0.332 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581562660 1280137048 /nfs/dbraw/zinc/13/70/48/1280137048.db2.gz CGEZURCWESJIRH-INIZCTEOSA-N 2 1 366.429 0.762 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581563070 1280138794 /nfs/dbraw/zinc/13/87/94/1280138794.db2.gz IJGLSHYSKFFYDC-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001717212158 1287412455 /nfs/dbraw/zinc/41/24/55/1287412455.db2.gz QXSFOJSZFQMLFT-JQHSSLGASA-N 2 1 360.502 0.986 20 0 FCADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001717212158 1287412459 /nfs/dbraw/zinc/41/24/59/1287412459.db2.gz QXSFOJSZFQMLFT-JQHSSLGASA-N 2 1 360.502 0.986 20 0 FCADMP C[C@@H](C(N)=O)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001717212158 1287412464 /nfs/dbraw/zinc/41/24/64/1287412464.db2.gz QXSFOJSZFQMLFT-JQHSSLGASA-N 2 1 360.502 0.986 20 0 FCADMP C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)[C@@H]1CCC[NH2+]C1 ZINC001603610671 1287441256 /nfs/dbraw/zinc/44/12/56/1287441256.db2.gz CUFCXWSKTJQWPY-SGIREYDYSA-N 2 1 355.446 0.558 20 0 FCADMP C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)[C@@H]1CCC[NH2+]C1 ZINC001603610669 1287441611 /nfs/dbraw/zinc/44/16/11/1287441611.db2.gz CUFCXWSKTJQWPY-PEYYIBSZSA-N 2 1 355.446 0.558 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582053118 1280974856 /nfs/dbraw/zinc/97/48/56/1280974856.db2.gz ALCPJLKQSXSZND-UHFFFAOYSA-N 2 1 370.461 0.786 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001582100292 1281057242 /nfs/dbraw/zinc/05/72/42/1281057242.db2.gz DFUMVOUZTAILFC-VQFNDLOPSA-N 2 1 367.457 0.509 20 0 FCADMP O=C(N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001582216735 1281197365 /nfs/dbraw/zinc/19/73/65/1281197365.db2.gz ZQRRQBCVHSGXLG-UHFFFAOYSA-N 2 1 354.418 0.006 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582311178 1281314371 /nfs/dbraw/zinc/31/43/71/1281314371.db2.gz HNJAUVQPCHHYKH-MRXNPFEDSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001582319605 1281337387 /nfs/dbraw/zinc/33/73/87/1281337387.db2.gz FZYODFPREUELIQ-DZGCQCFKSA-N 2 1 368.445 0.298 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C[C@@H]1C[NH3+] ZINC001603847999 1287517146 /nfs/dbraw/zinc/51/71/46/1287517146.db2.gz VQKQPEGYQAWPFV-QPSCCSFWSA-N 2 1 360.462 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001584689220 1282165714 /nfs/dbraw/zinc/16/57/14/1282165714.db2.gz AKYUMOQEVQNYEK-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[NH+]3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001585133876 1282204195 /nfs/dbraw/zinc/20/41/95/1282204195.db2.gz RYTLVBXHRPXSEI-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001604204719 1287589939 /nfs/dbraw/zinc/58/99/39/1287589939.db2.gz DFKPFWSLIMJKIL-INIZCTEOSA-N 2 1 357.462 0.854 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001718943042 1287597658 /nfs/dbraw/zinc/59/76/58/1287597658.db2.gz BBJSXOSZIJFBER-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001718943042 1287597663 /nfs/dbraw/zinc/59/76/63/1287597663.db2.gz BBJSXOSZIJFBER-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001718943042 1287597667 /nfs/dbraw/zinc/59/76/67/1287597667.db2.gz BBJSXOSZIJFBER-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589816299 1283050218 /nfs/dbraw/zinc/05/02/18/1283050218.db2.gz ZLTGCZALZPEEBX-ZDUSSCGKSA-N 2 1 360.466 0.721 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001590112604 1283223796 /nfs/dbraw/zinc/22/37/96/1283223796.db2.gz LDANKCQUOPYDSK-GOEBONIOSA-N 2 1 369.473 0.948 20 0 FCADMP C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590333302 1283477720 /nfs/dbraw/zinc/47/77/20/1283477720.db2.gz FCCBVMIQQLQUJG-IFXJQAMLSA-N 2 1 372.473 0.961 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1 ZINC001719069218 1287652177 /nfs/dbraw/zinc/65/21/77/1287652177.db2.gz HBFPAFVOOGXINA-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495321 1283625574 /nfs/dbraw/zinc/62/55/74/1283625574.db2.gz VCYNVGNAUVQXBN-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001590727939 1283755903 /nfs/dbraw/zinc/75/59/03/1283755903.db2.gz WWTRNDQODXXIQX-QGZVFWFLSA-N 2 1 369.473 0.902 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001683573060 1284041840 /nfs/dbraw/zinc/04/18/40/1284041840.db2.gz QQMCTWKOPPWFIE-CVEARBPZSA-N 2 1 365.478 0.001 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001591175019 1284261315 /nfs/dbraw/zinc/26/13/15/1284261315.db2.gz LMEOSLYFFVMEPK-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001591175019 1284261321 /nfs/dbraw/zinc/26/13/21/1284261321.db2.gz LMEOSLYFFVMEPK-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175409 1284264730 /nfs/dbraw/zinc/26/47/30/1284264730.db2.gz OHKSPARTJVTOSS-KGLIPLIRSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175409 1284264739 /nfs/dbraw/zinc/26/47/39/1284264739.db2.gz OHKSPARTJVTOSS-KGLIPLIRSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001591175953 1284266507 /nfs/dbraw/zinc/26/65/07/1284266507.db2.gz AHODPUPLNZKFFU-CWRNSKLLSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175593 1284267189 /nfs/dbraw/zinc/26/71/89/1284267189.db2.gz QDSJZTOIMLZXSU-OLZOCXBDSA-N 2 1 356.434 0.156 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591177830 1284274978 /nfs/dbraw/zinc/27/49/78/1284274978.db2.gz OEUINLBFXHKUJO-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591750057 1284878075 /nfs/dbraw/zinc/87/80/75/1284878075.db2.gz RSEHPSUMIWRGLW-XFJVYGCCSA-N 2 1 355.446 0.415 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001591757494 1284886081 /nfs/dbraw/zinc/88/60/81/1284886081.db2.gz MZBCZPZNHYRNCQ-CHWSQXEVSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001591760194 1284889412 /nfs/dbraw/zinc/88/94/12/1284889412.db2.gz GQMRTMPHEILJOA-JCGIZDLHSA-N 2 1 358.446 0.538 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001591760194 1284889423 /nfs/dbraw/zinc/88/94/23/1284889423.db2.gz GQMRTMPHEILJOA-JCGIZDLHSA-N 2 1 358.446 0.538 20 0 FCADMP Cc1cc(NCCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047170 1285089841 /nfs/dbraw/zinc/08/98/41/1285089841.db2.gz KGARKCIOHJLWCL-ZDUSSCGKSA-N 2 1 372.477 0.594 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592054708 1285096813 /nfs/dbraw/zinc/09/68/13/1285096813.db2.gz FDVJTKQWGSFBCU-HFBAOOFYSA-N 2 1 370.461 0.345 20 0 FCADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001592419065 1285345074 /nfs/dbraw/zinc/34/50/74/1285345074.db2.gz VLKSGUKBYOSJAG-CQSZACIVSA-N 2 1 357.418 0.791 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1O ZINC001719120352 1287779562 /nfs/dbraw/zinc/77/95/62/1287779562.db2.gz VEDUGQYMATVVDC-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1O ZINC001719120352 1287779567 /nfs/dbraw/zinc/77/95/67/1287779567.db2.gz VEDUGQYMATVVDC-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604849589 1287797900 /nfs/dbraw/zinc/79/79/00/1287797900.db2.gz MTBATWGYIOCXNL-LMWOUKEDSA-N 2 1 368.445 0.439 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604849589 1287797904 /nfs/dbraw/zinc/79/79/04/1287797904.db2.gz MTBATWGYIOCXNL-LMWOUKEDSA-N 2 1 368.445 0.439 20 0 FCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001592741451 1285658571 /nfs/dbraw/zinc/65/85/71/1285658571.db2.gz SKGAPCXQBQRPJF-WTXIUTQJSA-N 2 1 358.446 0.951 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001592786197 1285711076 /nfs/dbraw/zinc/71/10/76/1285711076.db2.gz DNSSMAJUPWTHJF-FVQBIDKESA-N 2 1 353.430 0.264 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001592785890 1285711492 /nfs/dbraw/zinc/71/14/92/1285711492.db2.gz BAMKMJIEIQSCLL-CRAIPNDOSA-N 2 1 353.430 0.266 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038324 1285921724 /nfs/dbraw/zinc/92/17/24/1285921724.db2.gz RYXJVJLESTZUPS-NVXWUHKLSA-N 2 1 369.473 0.947 20 0 FCADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504935 1286185107 /nfs/dbraw/zinc/18/51/07/1286185107.db2.gz HBYZEZZFBNENAU-CJNGLKHVSA-N 2 1 358.446 0.680 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001605431464 1287959848 /nfs/dbraw/zinc/95/98/48/1287959848.db2.gz SCHGMHHWUWMFTQ-MGPQQGTHSA-N 2 1 370.461 0.427 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C2)CC[N@H+]1C ZINC001731443953 1288557720 /nfs/dbraw/zinc/55/77/20/1288557720.db2.gz JOFKNRIMZQRRAM-FDYHWXHSSA-N 2 1 364.412 0.584 20 0 FCADMP O=C1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1 ZINC001607041262 1288611330 /nfs/dbraw/zinc/61/13/30/1288611330.db2.gz WXJRIHULHXCAPO-OAHLLOKOSA-N 2 1 369.473 0.947 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001607055075 1288625290 /nfs/dbraw/zinc/62/52/90/1288625290.db2.gz UWKLTTKBNMJSHJ-AEGPPILISA-N 2 1 355.402 0.234 20 0 FCADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001607095680 1288659737 /nfs/dbraw/zinc/65/97/37/1288659737.db2.gz WWHQELJGXVIQSL-MSOLQXFVSA-N 2 1 372.473 0.961 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105220 1288663673 /nfs/dbraw/zinc/66/36/73/1288663673.db2.gz BOBPAFRKDQZVFE-GJZGRUSLSA-N 2 1 372.473 0.495 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691947386 1289348359 /nfs/dbraw/zinc/34/83/59/1289348359.db2.gz BIVBESRZKJGRMJ-YESZJQIVSA-N 2 1 350.507 0.681 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCCO)cn1 ZINC001691978656 1289355129 /nfs/dbraw/zinc/35/51/29/1289355129.db2.gz OVQJFMQROXPQSA-DLBZAZTESA-N 2 1 365.522 0.664 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001692064288 1289382621 /nfs/dbraw/zinc/38/26/21/1289382621.db2.gz FLKPXGXINLFBAI-IXDOHACOSA-N 2 1 370.513 0.973 20 0 FCADMP CO[C@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001692130296 1289402472 /nfs/dbraw/zinc/40/24/72/1289402472.db2.gz HOAREAJSCJZXSK-YRGRVCCFSA-N 2 1 351.451 0.263 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001692182636 1289420510 /nfs/dbraw/zinc/42/05/10/1289420510.db2.gz LAMYYYRRWJBREB-OKZBNKHCSA-N 2 1 362.518 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NCC1CC1 ZINC001692182636 1289420515 /nfs/dbraw/zinc/42/05/15/1289420515.db2.gz LAMYYYRRWJBREB-OKZBNKHCSA-N 2 1 362.518 0.824 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)CC1 ZINC001692281165 1289441071 /nfs/dbraw/zinc/44/10/71/1289441071.db2.gz UHIWZINGBSAUSY-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001692278261 1289441378 /nfs/dbraw/zinc/44/13/78/1289441378.db2.gz ZVJZARGYGYLVTR-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001692281274 1289441418 /nfs/dbraw/zinc/44/14/18/1289441418.db2.gz XWHYTGCRIRZZHR-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286915 1289444570 /nfs/dbraw/zinc/44/45/70/1289444570.db2.gz VYQQJHDYXXPHHW-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286915 1289444574 /nfs/dbraw/zinc/44/45/74/1289444574.db2.gz VYQQJHDYXXPHHW-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286915 1289444577 /nfs/dbraw/zinc/44/45/77/1289444577.db2.gz VYQQJHDYXXPHHW-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001692319610 1289446687 /nfs/dbraw/zinc/44/66/87/1289446687.db2.gz RKDJJYWKOKKRID-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001698748009 1289535132 /nfs/dbraw/zinc/53/51/32/1289535132.db2.gz IGXGXGSVQWHFKC-AEGPPILISA-N 2 1 365.478 0.994 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001699705346 1289561644 /nfs/dbraw/zinc/56/16/44/1289561644.db2.gz LKWHSPWHNYFYRL-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001699705346 1289561647 /nfs/dbraw/zinc/56/16/47/1289561647.db2.gz LKWHSPWHNYFYRL-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001699705346 1289561654 /nfs/dbraw/zinc/56/16/54/1289561654.db2.gz LKWHSPWHNYFYRL-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001699705346 1289561657 /nfs/dbraw/zinc/56/16/57/1289561657.db2.gz LKWHSPWHNYFYRL-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001739117370 1289810087 /nfs/dbraw/zinc/81/00/87/1289810087.db2.gz RIVJSJJCVCLSKI-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001739117370 1289810090 /nfs/dbraw/zinc/81/00/90/1289810090.db2.gz RIVJSJJCVCLSKI-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001739117370 1289810097 /nfs/dbraw/zinc/81/00/97/1289810097.db2.gz RIVJSJJCVCLSKI-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CCC)C[C@H]1O ZINC001739447528 1290009964 /nfs/dbraw/zinc/00/99/64/1290009964.db2.gz BIVRROLGOJLNCP-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1O ZINC001739447528 1290009973 /nfs/dbraw/zinc/00/99/73/1290009973.db2.gz BIVRROLGOJLNCP-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1O ZINC001739447528 1290009980 /nfs/dbraw/zinc/00/99/80/1290009980.db2.gz BIVRROLGOJLNCP-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001702361564 1290130984 /nfs/dbraw/zinc/13/09/84/1290130984.db2.gz WHPXEOFLRCLUKG-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001739721040 1290393344 /nfs/dbraw/zinc/39/33/44/1290393344.db2.gz QORLQYRWTPIFDW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP COCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC001628813974 1290555854 /nfs/dbraw/zinc/55/58/54/1290555854.db2.gz OLEVKXDQGLNCMF-HNNXBMFYSA-N 2 1 350.467 0.165 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cc(C)no3)C2)CC[N@H+]1C ZINC001752732068 1290614746 /nfs/dbraw/zinc/61/47/46/1290614746.db2.gz ZSYUDEPMWHWTFN-LJISPDSOSA-N 2 1 363.462 0.889 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001753006872 1290618715 /nfs/dbraw/zinc/61/87/15/1290618715.db2.gz SWAMDOCIZHXOLN-IIAWOOMASA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NCC2CCC2)C2CC2)CC[N@@H+]1C ZINC001753154688 1290621294 /nfs/dbraw/zinc/62/12/94/1290621294.db2.gz MTZGXTYRAPQZML-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NCC2CCC2)C2CC2)CC[N@H+]1C ZINC001753154688 1290621301 /nfs/dbraw/zinc/62/13/01/1290621301.db2.gz MTZGXTYRAPQZML-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NCC2CCC2)C2CC2)CC[NH+]1C ZINC001753154688 1290621313 /nfs/dbraw/zinc/62/13/13/1290621313.db2.gz MTZGXTYRAPQZML-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NCC2CCC2)C2CC2)CC[NH+]1C ZINC001753154688 1290621321 /nfs/dbraw/zinc/62/13/21/1290621321.db2.gz MTZGXTYRAPQZML-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)Nc2nccs2)C2CC2)CC[N@H+]1C ZINC001754440551 1290628347 /nfs/dbraw/zinc/62/83/47/1290628347.db2.gz FFHRYUCTWGPVST-BNOWGMLFSA-N 2 1 365.503 0.906 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001755211380 1290642866 /nfs/dbraw/zinc/64/28/66/1290642866.db2.gz RIBQWCSRDPREAL-RKHAHWSXSA-N 2 1 366.506 0.106 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001756201918 1290650601 /nfs/dbraw/zinc/65/06/01/1290650601.db2.gz PUVLXGVAFJBXMR-NHMWIVBRSA-N 2 1 359.474 0.352 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001756201918 1290650615 /nfs/dbraw/zinc/65/06/15/1290650615.db2.gz PUVLXGVAFJBXMR-NHMWIVBRSA-N 2 1 359.474 0.352 20 0 FCADMP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001757120464 1290717857 /nfs/dbraw/zinc/71/78/57/1290717857.db2.gz ZMOHQVFXJYVSJX-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+]1CCN(c2ncc(CNC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cn2)CC1 ZINC001657551511 1291613792 /nfs/dbraw/zinc/61/37/92/1291613792.db2.gz FYTMNNSAAQOZIZ-RTBURBONSA-N 2 1 374.533 0.696 20 0 FCADMP C[N@H+](CCO)CCNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC001668429980 1291965035 /nfs/dbraw/zinc/96/50/35/1291965035.db2.gz ORTSUAAAZCBMRR-MRXNPFEDSA-N 2 1 363.462 0.182 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC001668429980 1291965040 /nfs/dbraw/zinc/96/50/40/1291965040.db2.gz ORTSUAAAZCBMRR-MRXNPFEDSA-N 2 1 363.462 0.182 20 0 FCADMP C[NH+](CCO)CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001668429980 1291965042 /nfs/dbraw/zinc/96/50/42/1291965042.db2.gz ORTSUAAAZCBMRR-MRXNPFEDSA-N 2 1 363.462 0.182 20 0 FCADMP C[NH+](CCO)CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001668429980 1291965047 /nfs/dbraw/zinc/96/50/47/1291965047.db2.gz ORTSUAAAZCBMRR-MRXNPFEDSA-N 2 1 363.462 0.182 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC[N@H+]1C ZINC001688615187 1294512201 /nfs/dbraw/zinc/51/22/01/1294512201.db2.gz SZUDQTFMUFUZSX-RHSMWYFYSA-N 2 1 359.474 0.575 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001688955149 1294551405 /nfs/dbraw/zinc/55/14/05/1294551405.db2.gz DFCDTCADWSOLQK-ZWKOTPCHSA-N 2 1 358.486 0.801 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001688955149 1294551414 /nfs/dbraw/zinc/55/14/14/1294551414.db2.gz DFCDTCADWSOLQK-ZWKOTPCHSA-N 2 1 358.486 0.801 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001689069853 1294592502 /nfs/dbraw/zinc/59/25/02/1294592502.db2.gz VAGQRTRJKPPGLF-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001689075958 1294595926 /nfs/dbraw/zinc/59/59/26/1294595926.db2.gz HQXCTFOAOARGLM-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1CC ZINC001689193786 1294661987 /nfs/dbraw/zinc/66/19/87/1294661987.db2.gz FYRVJJZHDJVDRP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1CC ZINC001689193786 1294661993 /nfs/dbraw/zinc/66/19/93/1294661993.db2.gz FYRVJJZHDJVDRP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1CC ZINC001689193786 1294661998 /nfs/dbraw/zinc/66/19/98/1294661998.db2.gz FYRVJJZHDJVDRP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1CC ZINC001689193786 1294662005 /nfs/dbraw/zinc/66/20/05/1294662005.db2.gz FYRVJJZHDJVDRP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)CC[C@@H]2C1 ZINC001689230184 1294690037 /nfs/dbraw/zinc/69/00/37/1294690037.db2.gz QWJBTIAQKJOZLA-CVEARBPZSA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001691500982 1294896090 /nfs/dbraw/zinc/89/60/90/1294896090.db2.gz AWZAGMBHUZEIDH-QBPKDAKJSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164683617 719730985 /nfs/dbraw/zinc/73/09/85/719730985.db2.gz BDKGLJGZJOWKNG-UHFFFAOYSA-N 2 1 372.517 0.672 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)C[NH2+]C3)CCC2 ZINC001164814069 720223064 /nfs/dbraw/zinc/22/30/64/720223064.db2.gz SAVHWERXLXDBKJ-UHFFFAOYSA-N 2 1 369.473 0.887 20 0 FCADMP Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164739046 720627675 /nfs/dbraw/zinc/62/76/75/720627675.db2.gz DKKLSEDEHZKITB-GJZGRUSLSA-N 2 1 355.446 0.983 20 0 FCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164744164 720730124 /nfs/dbraw/zinc/73/01/24/720730124.db2.gz RIGJFWRLKIUBIS-LSDHHAIUSA-N 2 1 353.430 0.254 20 0 FCADMP COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164847052 720833129 /nfs/dbraw/zinc/83/31/29/720833129.db2.gz HVXJAKHUYZJNGU-QAPCUYQASA-N 2 1 361.490 0.338 20 0 FCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164865668 721086093 /nfs/dbraw/zinc/08/60/93/721086093.db2.gz OEXURPXZQDQZQV-IRXDYDNUSA-N 2 1 352.442 0.955 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164765743 721164039 /nfs/dbraw/zinc/16/40/39/721164039.db2.gz IDYRALTXHANCFL-RDJZCZTQSA-N 2 1 353.474 0.814 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164765746 721165844 /nfs/dbraw/zinc/16/58/44/721165844.db2.gz IDYRALTXHANCFL-WBVHZDCISA-N 2 1 353.474 0.814 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C[NH3+])ncn2)CC3)CC1 ZINC001164996479 722231838 /nfs/dbraw/zinc/23/18/38/722231838.db2.gz HZNSEFYHRYTIQF-UHFFFAOYSA-N 2 1 354.462 0.082 20 0 FCADMP CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029147 837602658 /nfs/dbraw/zinc/60/26/58/837602658.db2.gz XJUBNEFFNXCSKG-KEYYUXOJSA-N 2 1 352.458 0.852 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029147 837602663 /nfs/dbraw/zinc/60/26/63/837602663.db2.gz XJUBNEFFNXCSKG-KEYYUXOJSA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029147 837602671 /nfs/dbraw/zinc/60/26/71/837602671.db2.gz XJUBNEFFNXCSKG-KEYYUXOJSA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029147 837602676 /nfs/dbraw/zinc/60/26/76/837602676.db2.gz XJUBNEFFNXCSKG-KEYYUXOJSA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070381455 837651374 /nfs/dbraw/zinc/65/13/74/837651374.db2.gz AWWHLCLRGZSBMR-OGWOLHLISA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964363 837706348 /nfs/dbraw/zinc/70/63/48/837706348.db2.gz FULWJOUGUKIFSN-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964363 837706355 /nfs/dbraw/zinc/70/63/55/837706355.db2.gz FULWJOUGUKIFSN-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964363 837706365 /nfs/dbraw/zinc/70/63/65/837706365.db2.gz FULWJOUGUKIFSN-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964363 837706371 /nfs/dbraw/zinc/70/63/71/837706371.db2.gz FULWJOUGUKIFSN-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001071100949 837733891 /nfs/dbraw/zinc/73/38/91/837733891.db2.gz IVLISSXOOAIZEO-AOIWGVFYSA-N 2 1 351.491 0.450 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099343662 844036094 /nfs/dbraw/zinc/03/60/94/844036094.db2.gz RNFKDLIAKKGIIG-ZIAGYGMSSA-N 2 1 359.396 0.995 20 0 FCADMP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C(F)(F)F)C1=O ZINC001099344325 844036301 /nfs/dbraw/zinc/03/63/01/844036301.db2.gz ZFCIDTHSROVSRY-JHJVBQTASA-N 2 1 362.396 0.292 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001100343514 844051700 /nfs/dbraw/zinc/05/17/00/844051700.db2.gz FZPRGUGPJBLWPF-RKHAHWSXSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187338 844098220 /nfs/dbraw/zinc/09/82/20/844098220.db2.gz OQJWFPPOYRFNIA-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187338 844098229 /nfs/dbraw/zinc/09/82/29/844098229.db2.gz OQJWFPPOYRFNIA-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187338 844098240 /nfs/dbraw/zinc/09/82/40/844098240.db2.gz OQJWFPPOYRFNIA-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101188034 844097047 /nfs/dbraw/zinc/09/70/47/844097047.db2.gz ZHGHGOZPDPJZPP-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101188034 844097054 /nfs/dbraw/zinc/09/70/54/844097054.db2.gz ZHGHGOZPDPJZPP-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101188034 844097062 /nfs/dbraw/zinc/09/70/62/844097062.db2.gz ZHGHGOZPDPJZPP-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101188034 844097070 /nfs/dbraw/zinc/09/70/70/844097070.db2.gz ZHGHGOZPDPJZPP-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101187338 844098214 /nfs/dbraw/zinc/09/82/14/844098214.db2.gz OQJWFPPOYRFNIA-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187768 836066480 /nfs/dbraw/zinc/06/64/80/836066480.db2.gz YPPKBXRXFMZENY-NVXWUHKLSA-N 2 1 352.504 0.637 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101257869 844123979 /nfs/dbraw/zinc/12/39/79/844123979.db2.gz PQSYTNADCVVADO-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257869 844123983 /nfs/dbraw/zinc/12/39/83/844123983.db2.gz PQSYTNADCVVADO-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257869 844123988 /nfs/dbraw/zinc/12/39/88/844123988.db2.gz PQSYTNADCVVADO-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280604 844130169 /nfs/dbraw/zinc/13/01/69/844130169.db2.gz SWRSYOCGBYVPMS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280604 844130178 /nfs/dbraw/zinc/13/01/78/844130178.db2.gz SWRSYOCGBYVPMS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280604 844130180 /nfs/dbraw/zinc/13/01/80/844130180.db2.gz SWRSYOCGBYVPMS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280604 844130187 /nfs/dbraw/zinc/13/01/87/844130187.db2.gz SWRSYOCGBYVPMS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=S)NCCC[NH+]1CCOCC1 ZINC000746553180 836189397 /nfs/dbraw/zinc/18/93/97/836189397.db2.gz YDXYOJAXLLFZQU-IXDOHACOSA-N 2 1 370.563 0.767 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)CCCCC1 ZINC001101310730 844142460 /nfs/dbraw/zinc/14/24/60/844142460.db2.gz WCJDWGCFBHCYCO-QAPCUYQASA-N 2 1 350.507 0.764 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000747652276 836254115 /nfs/dbraw/zinc/25/41/15/836254115.db2.gz JCNHWPDWGCOLJT-LSDHHAIUSA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000747652276 836254126 /nfs/dbraw/zinc/25/41/26/836254126.db2.gz JCNHWPDWGCOLJT-LSDHHAIUSA-N 2 1 356.536 0.914 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=S)NCCC[NH+]1CCOCC1 ZINC000748152312 836288359 /nfs/dbraw/zinc/28/83/59/836288359.db2.gz UUFQODQFVKXMJF-MRXNPFEDSA-N 2 1 358.552 0.626 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101341638 844151436 /nfs/dbraw/zinc/15/14/36/844151436.db2.gz NJPZCXSWMICORS-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101362848 844160844 /nfs/dbraw/zinc/16/08/44/844160844.db2.gz HGYLYBXBYLWSFM-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101362848 844160846 /nfs/dbraw/zinc/16/08/46/844160846.db2.gz HGYLYBXBYLWSFM-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101362848 844160854 /nfs/dbraw/zinc/16/08/54/844160854.db2.gz HGYLYBXBYLWSFM-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101366044 844161546 /nfs/dbraw/zinc/16/15/46/844161546.db2.gz YDIHGCLZDNLIOL-BEFAXECRSA-N 2 1 350.507 0.635 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101366044 844161556 /nfs/dbraw/zinc/16/15/56/844161556.db2.gz YDIHGCLZDNLIOL-BEFAXECRSA-N 2 1 350.507 0.635 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101366044 844161566 /nfs/dbraw/zinc/16/15/66/844161566.db2.gz YDIHGCLZDNLIOL-BEFAXECRSA-N 2 1 350.507 0.635 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101365751 844161830 /nfs/dbraw/zinc/16/18/30/844161830.db2.gz IBPZVXNWOQFFOH-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418160 844180619 /nfs/dbraw/zinc/18/06/19/844180619.db2.gz CENNPWWNJGSJEO-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418160 844180626 /nfs/dbraw/zinc/18/06/26/844180626.db2.gz CENNPWWNJGSJEO-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418160 844180628 /nfs/dbraw/zinc/18/06/28/844180628.db2.gz CENNPWWNJGSJEO-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440970 844186623 /nfs/dbraw/zinc/18/66/23/844186623.db2.gz DSPOALPTHCEZLZ-FCEWJHQRSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440970 844186626 /nfs/dbraw/zinc/18/66/26/844186626.db2.gz DSPOALPTHCEZLZ-FCEWJHQRSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440970 844186629 /nfs/dbraw/zinc/18/66/29/844186629.db2.gz DSPOALPTHCEZLZ-FCEWJHQRSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101440848 844186866 /nfs/dbraw/zinc/18/68/66/844186866.db2.gz XLELQRHQWHVJSN-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101440848 844186872 /nfs/dbraw/zinc/18/68/72/844186872.db2.gz XLELQRHQWHVJSN-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101440848 844186876 /nfs/dbraw/zinc/18/68/76/844186876.db2.gz XLELQRHQWHVJSN-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)CC[N@H+]1C ZINC001061120592 836681147 /nfs/dbraw/zinc/68/11/47/836681147.db2.gz GBKLNBMXTVPDSN-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461735 844193130 /nfs/dbraw/zinc/19/31/30/844193130.db2.gz QZTTZAZPXHADAQ-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)COCC[NH+](C)C)CCC2)CC[N@H+]1C ZINC001063718514 836783220 /nfs/dbraw/zinc/78/32/20/836783220.db2.gz IDZURQASRLTIJQ-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207034 836822435 /nfs/dbraw/zinc/82/24/35/836822435.db2.gz OOEBPCIPFBNYGT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207034 836822442 /nfs/dbraw/zinc/82/24/42/836822442.db2.gz OOEBPCIPFBNYGT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065207034 836822449 /nfs/dbraw/zinc/82/24/49/836822449.db2.gz OOEBPCIPFBNYGT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C(C)(C)C[NH2+]CC(N)=O)CC2)O1 ZINC001101550336 844211553 /nfs/dbraw/zinc/21/15/53/844211553.db2.gz CUHCEPWHMYNTGR-UKRRQHHQSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C(C)(C)C[NH2+]CC(N)=O)CC2)O1 ZINC001101550336 844211562 /nfs/dbraw/zinc/21/15/62/844211562.db2.gz CUHCEPWHMYNTGR-UKRRQHHQSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001075881080 837920689 /nfs/dbraw/zinc/92/06/89/837920689.db2.gz CIKIFNQSFODSRZ-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001075881080 837920702 /nfs/dbraw/zinc/92/07/02/837920702.db2.gz CIKIFNQSFODSRZ-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075881080 837920705 /nfs/dbraw/zinc/92/07/05/837920705.db2.gz CIKIFNQSFODSRZ-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075881080 837920713 /nfs/dbraw/zinc/92/07/13/837920713.db2.gz CIKIFNQSFODSRZ-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001075943107 837931195 /nfs/dbraw/zinc/93/11/95/837931195.db2.gz BSFIKPNCIGRCDA-RRFJBIMHSA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323761 837983183 /nfs/dbraw/zinc/98/31/83/837983183.db2.gz GJWNSUHJCBPMCN-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418614 837998340 /nfs/dbraw/zinc/99/83/40/837998340.db2.gz GWMKHQFVZWIQNF-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418614 837998349 /nfs/dbraw/zinc/99/83/49/837998349.db2.gz GWMKHQFVZWIQNF-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076574941 838019005 /nfs/dbraw/zinc/01/90/05/838019005.db2.gz SHXFQKJHZKPURY-YESZJQIVSA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076574941 838019015 /nfs/dbraw/zinc/01/90/15/838019015.db2.gz SHXFQKJHZKPURY-YESZJQIVSA-N 2 1 369.531 0.440 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594569 838025996 /nfs/dbraw/zinc/02/59/96/838025996.db2.gz PYQQTTIRBMHPAN-JQHSSLGASA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594569 838026004 /nfs/dbraw/zinc/02/60/04/838026004.db2.gz PYQQTTIRBMHPAN-JQHSSLGASA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594569 838026014 /nfs/dbraw/zinc/02/60/14/838026014.db2.gz PYQQTTIRBMHPAN-JQHSSLGASA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001076594569 838026023 /nfs/dbraw/zinc/02/60/23/838026023.db2.gz PYQQTTIRBMHPAN-JQHSSLGASA-N 2 1 351.491 0.809 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836902 838127474 /nfs/dbraw/zinc/12/74/74/838127474.db2.gz FIRKACRGKGFUIF-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836902 838127475 /nfs/dbraw/zinc/12/74/75/838127475.db2.gz FIRKACRGKGFUIF-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836902 838127477 /nfs/dbraw/zinc/12/74/77/838127477.db2.gz FIRKACRGKGFUIF-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836902 838127480 /nfs/dbraw/zinc/12/74/80/838127480.db2.gz FIRKACRGKGFUIF-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003144 838208929 /nfs/dbraw/zinc/20/89/29/838208929.db2.gz VAUUNLNARWKCJP-BZUAXINKSA-N 2 1 364.515 0.497 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974770 844357057 /nfs/dbraw/zinc/35/70/57/844357057.db2.gz PHRIVUKSMYFTQP-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077395969 838947129 /nfs/dbraw/zinc/94/71/29/838947129.db2.gz HONCHCYBBLYRIN-HZPDHXFCSA-N 2 1 357.439 0.808 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077395969 838947133 /nfs/dbraw/zinc/94/71/33/838947133.db2.gz HONCHCYBBLYRIN-HZPDHXFCSA-N 2 1 357.439 0.808 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001077495282 838995191 /nfs/dbraw/zinc/99/51/91/838995191.db2.gz AJIQSARKXMDFBI-HRCADAONSA-N 2 1 356.511 0.306 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504885 839001970 /nfs/dbraw/zinc/00/19/70/839001970.db2.gz DFWBUAZDHDLHHT-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045016 844394310 /nfs/dbraw/zinc/39/43/10/844394310.db2.gz NWZKLASYWNBWBU-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102047864 844395742 /nfs/dbraw/zinc/39/57/42/844395742.db2.gz VXVTXTFMURFSGA-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059270 844399238 /nfs/dbraw/zinc/39/92/38/844399238.db2.gz IZXKIBHIZUKZJM-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059270 844399248 /nfs/dbraw/zinc/39/92/48/844399248.db2.gz IZXKIBHIZUKZJM-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059270 844399256 /nfs/dbraw/zinc/39/92/56/844399256.db2.gz IZXKIBHIZUKZJM-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059270 844399266 /nfs/dbraw/zinc/39/92/66/844399266.db2.gz IZXKIBHIZUKZJM-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777186 839151242 /nfs/dbraw/zinc/15/12/42/839151242.db2.gz BDFOHVWXLNWZEC-KBAYOESNSA-N 2 1 353.507 0.981 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777186 839151252 /nfs/dbraw/zinc/15/12/52/839151252.db2.gz BDFOHVWXLNWZEC-KBAYOESNSA-N 2 1 353.507 0.981 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001077893017 839210901 /nfs/dbraw/zinc/21/09/01/839210901.db2.gz VVLMMUDJHNPULT-QZTJIDSGSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001077893017 839210914 /nfs/dbraw/zinc/21/09/14/839210914.db2.gz VVLMMUDJHNPULT-QZTJIDSGSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001077923750 839234141 /nfs/dbraw/zinc/23/41/41/839234141.db2.gz BIXZQOFKGXMMKF-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102104404 844416075 /nfs/dbraw/zinc/41/60/75/844416075.db2.gz UJTMRPCZHLQLJC-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102104404 844416078 /nfs/dbraw/zinc/41/60/78/844416078.db2.gz UJTMRPCZHLQLJC-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102104404 844416080 /nfs/dbraw/zinc/41/60/80/844416080.db2.gz UJTMRPCZHLQLJC-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102104404 844416083 /nfs/dbraw/zinc/41/60/83/844416083.db2.gz UJTMRPCZHLQLJC-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174776 839381261 /nfs/dbraw/zinc/38/12/61/839381261.db2.gz RXGFUBWNKLEQLK-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174776 839381273 /nfs/dbraw/zinc/38/12/73/839381273.db2.gz RXGFUBWNKLEQLK-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174776 839381288 /nfs/dbraw/zinc/38/12/88/839381288.db2.gz RXGFUBWNKLEQLK-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174776 839381301 /nfs/dbraw/zinc/38/13/01/839381301.db2.gz RXGFUBWNKLEQLK-IAOVAPTHSA-N 2 1 367.877 0.832 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102156510 844432002 /nfs/dbraw/zinc/43/20/02/844432002.db2.gz XIABISTVHREERX-FVQBIDKESA-N 2 1 368.503 0.310 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102156510 844432007 /nfs/dbraw/zinc/43/20/07/844432007.db2.gz XIABISTVHREERX-FVQBIDKESA-N 2 1 368.503 0.310 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210009 839406451 /nfs/dbraw/zinc/40/64/51/839406451.db2.gz RAMJFCLBYXTFPH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210009 839406454 /nfs/dbraw/zinc/40/64/54/839406454.db2.gz RAMJFCLBYXTFPH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210009 839406465 /nfs/dbraw/zinc/40/64/65/839406465.db2.gz RAMJFCLBYXTFPH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210009 839406477 /nfs/dbraw/zinc/40/64/77/839406477.db2.gz RAMJFCLBYXTFPH-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001078241307 839426282 /nfs/dbraw/zinc/42/62/82/839426282.db2.gz JZCMUCDMNILEJF-ZJIFWQFVSA-N 2 1 356.511 0.303 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001078241307 839426289 /nfs/dbraw/zinc/42/62/89/839426289.db2.gz JZCMUCDMNILEJF-ZJIFWQFVSA-N 2 1 356.511 0.303 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001078403554 839457087 /nfs/dbraw/zinc/45/70/87/839457087.db2.gz BQAWMMRHTMLQGA-HRCADAONSA-N 2 1 351.451 0.507 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001078403554 839457091 /nfs/dbraw/zinc/45/70/91/839457091.db2.gz BQAWMMRHTMLQGA-HRCADAONSA-N 2 1 351.451 0.507 20 0 FCADMP Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405359 839457524 /nfs/dbraw/zinc/45/75/24/839457524.db2.gz LHCJXTGYCUSHOQ-QLFBSQMISA-N 2 1 351.451 0.425 20 0 FCADMP Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405359 839457535 /nfs/dbraw/zinc/45/75/35/839457535.db2.gz LHCJXTGYCUSHOQ-QLFBSQMISA-N 2 1 351.451 0.425 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189161 844438927 /nfs/dbraw/zinc/43/89/27/844438927.db2.gz YZUBETJMIJAYMG-KYJSFNMBSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079176463 839490422 /nfs/dbraw/zinc/49/04/22/839490422.db2.gz GUEGOJSDMFSONW-BBWFWOEESA-N 2 1 351.422 0.033 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001079176463 839490431 /nfs/dbraw/zinc/49/04/31/839490431.db2.gz GUEGOJSDMFSONW-BBWFWOEESA-N 2 1 351.422 0.033 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227286 839494892 /nfs/dbraw/zinc/49/48/92/839494892.db2.gz LWQDVPOTKVLLNE-GVDBMIGSSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@H+]1C ZINC001079732318 839582846 /nfs/dbraw/zinc/58/28/46/839582846.db2.gz KEGCYMBWZQAXTG-QKPAOTATSA-N 2 1 351.495 0.178 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732318 839582853 /nfs/dbraw/zinc/58/28/53/839582853.db2.gz KEGCYMBWZQAXTG-QKPAOTATSA-N 2 1 351.495 0.178 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732318 839582869 /nfs/dbraw/zinc/58/28/69/839582869.db2.gz KEGCYMBWZQAXTG-QKPAOTATSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844979 839605727 /nfs/dbraw/zinc/60/57/27/839605727.db2.gz IUACSSLLPZLXEB-HLLBOEOZSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844979 839605735 /nfs/dbraw/zinc/60/57/35/839605735.db2.gz IUACSSLLPZLXEB-HLLBOEOZSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844979 839605743 /nfs/dbraw/zinc/60/57/43/839605743.db2.gz IUACSSLLPZLXEB-HLLBOEOZSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844979 839605747 /nfs/dbraw/zinc/60/57/47/839605747.db2.gz IUACSSLLPZLXEB-HLLBOEOZSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001079848664 839608306 /nfs/dbraw/zinc/60/83/06/839608306.db2.gz GEUJDDASRRHRFT-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001079848664 839608309 /nfs/dbraw/zinc/60/83/09/839608309.db2.gz GEUJDDASRRHRFT-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001079848664 839608311 /nfs/dbraw/zinc/60/83/11/839608311.db2.gz GEUJDDASRRHRFT-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001079848664 839608314 /nfs/dbraw/zinc/60/83/14/839608314.db2.gz GEUJDDASRRHRFT-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290744 844460109 /nfs/dbraw/zinc/46/01/09/844460109.db2.gz TZKCNYUMPYKMCS-RBSFLKMASA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080160835 839676013 /nfs/dbraw/zinc/67/60/13/839676013.db2.gz ACABJNRZFDMARG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080160835 839676016 /nfs/dbraw/zinc/67/60/16/839676016.db2.gz ACABJNRZFDMARG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccns2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080160835 839676020 /nfs/dbraw/zinc/67/60/20/839676020.db2.gz ACABJNRZFDMARG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccns2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080160835 839676026 /nfs/dbraw/zinc/67/60/26/839676026.db2.gz ACABJNRZFDMARG-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329577 839705095 /nfs/dbraw/zinc/70/50/95/839705095.db2.gz FVPZHDPGWNXUEH-WBTNSWJXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329577 839705111 /nfs/dbraw/zinc/70/51/11/839705111.db2.gz FVPZHDPGWNXUEH-WBTNSWJXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329577 839705124 /nfs/dbraw/zinc/70/51/24/839705124.db2.gz FVPZHDPGWNXUEH-WBTNSWJXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329577 839705138 /nfs/dbraw/zinc/70/51/38/839705138.db2.gz FVPZHDPGWNXUEH-WBTNSWJXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667613 839774809 /nfs/dbraw/zinc/77/48/09/839774809.db2.gz NDRQTEDIJZDKOI-HZPDHXFCSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369780 844477587 /nfs/dbraw/zinc/47/75/87/844477587.db2.gz GTOYQUQDKKMZIS-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369780 844477589 /nfs/dbraw/zinc/47/75/89/844477589.db2.gz GTOYQUQDKKMZIS-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001102369780 844477592 /nfs/dbraw/zinc/47/75/92/844477592.db2.gz GTOYQUQDKKMZIS-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370105 844477644 /nfs/dbraw/zinc/47/76/44/844477644.db2.gz REKIWFVPYKUQNH-ARFHVFGLSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370105 844477648 /nfs/dbraw/zinc/47/76/48/844477648.db2.gz REKIWFVPYKUQNH-ARFHVFGLSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370105 844477651 /nfs/dbraw/zinc/47/76/51/844477651.db2.gz REKIWFVPYKUQNH-ARFHVFGLSA-N 2 1 351.495 0.038 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001102377186 844480256 /nfs/dbraw/zinc/48/02/56/844480256.db2.gz SCVHJPMUAIMOEC-OIISXLGYSA-N 2 1 352.523 0.879 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433717 844497064 /nfs/dbraw/zinc/49/70/64/844497064.db2.gz DEOFEMGJZZYMFE-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001082059581 840167532 /nfs/dbraw/zinc/16/75/32/840167532.db2.gz WGSWHGLCRGLRIS-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001082059581 840167540 /nfs/dbraw/zinc/16/75/40/840167540.db2.gz WGSWHGLCRGLRIS-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001082059581 840167545 /nfs/dbraw/zinc/16/75/45/840167545.db2.gz WGSWHGLCRGLRIS-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095874 840182735 /nfs/dbraw/zinc/18/27/35/840182735.db2.gz MVRNUAZRCBQBJW-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102475531 844515670 /nfs/dbraw/zinc/51/56/70/844515670.db2.gz RYPYRACUWDBUMA-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488897 844524478 /nfs/dbraw/zinc/52/44/78/844524478.db2.gz MELABSTVTYMIEH-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379121 840368150 /nfs/dbraw/zinc/36/81/50/840368150.db2.gz KHBVMVUMHAXADG-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379121 840368159 /nfs/dbraw/zinc/36/81/59/840368159.db2.gz KHBVMVUMHAXADG-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379121 840368172 /nfs/dbraw/zinc/36/81/72/840368172.db2.gz KHBVMVUMHAXADG-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2OC)C1 ZINC001082379121 840368183 /nfs/dbraw/zinc/36/81/83/840368183.db2.gz KHBVMVUMHAXADG-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082561867 840465999 /nfs/dbraw/zinc/46/59/99/840465999.db2.gz XDMJXJMWGMCVOL-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082562219 840466709 /nfs/dbraw/zinc/46/67/09/840466709.db2.gz YGQPGXROZRBZPK-UKRRQHHQSA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082562219 840466713 /nfs/dbraw/zinc/46/67/13/840466713.db2.gz YGQPGXROZRBZPK-UKRRQHHQSA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncs1 ZINC001082653540 840512522 /nfs/dbraw/zinc/51/25/22/840512522.db2.gz PVSWLBIXXLYRLF-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082741743 840542565 /nfs/dbraw/zinc/54/25/65/840542565.db2.gz AHHUIVZCZCEIKJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082740946 840543304 /nfs/dbraw/zinc/54/33/04/840543304.db2.gz LCWZKNPTTUQZRM-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082740946 840543311 /nfs/dbraw/zinc/54/33/11/840543311.db2.gz LCWZKNPTTUQZRM-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082743881 840544200 /nfs/dbraw/zinc/54/42/00/840544200.db2.gz HHGRXNFSCBWMDJ-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082782476 840557909 /nfs/dbraw/zinc/55/79/09/840557909.db2.gz AKFJOOOPQZAFIM-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082798529 840562255 /nfs/dbraw/zinc/56/22/55/840562255.db2.gz ZFNDMAQTZIGAEL-TZMCWYRMSA-N 2 1 363.491 0.547 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102525759 844552882 /nfs/dbraw/zinc/55/28/82/844552882.db2.gz TWISDJDMFZRPTB-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102525759 844552886 /nfs/dbraw/zinc/55/28/86/844552886.db2.gz TWISDJDMFZRPTB-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102525759 844552894 /nfs/dbraw/zinc/55/28/94/844552894.db2.gz TWISDJDMFZRPTB-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525670 844553035 /nfs/dbraw/zinc/55/30/35/844553035.db2.gz OMQJKOAQHLGLAY-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525670 844553041 /nfs/dbraw/zinc/55/30/41/844553041.db2.gz OMQJKOAQHLGLAY-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102525670 844553044 /nfs/dbraw/zinc/55/30/44/844553044.db2.gz OMQJKOAQHLGLAY-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001082934793 840614469 /nfs/dbraw/zinc/61/44/69/840614469.db2.gz YKYYDVIELZWHFJ-BMFZPTHFSA-N 2 1 369.897 0.694 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cc(Cl)cn3)C2)C1 ZINC001082934793 840614473 /nfs/dbraw/zinc/61/44/73/840614473.db2.gz YKYYDVIELZWHFJ-BMFZPTHFSA-N 2 1 369.897 0.694 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)C1CC1 ZINC001102579282 844573582 /nfs/dbraw/zinc/57/35/82/844573582.db2.gz QKZCBRMOKQDBMK-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578384 844573630 /nfs/dbraw/zinc/57/36/30/844573630.db2.gz ZNSNEMGWCKLTFZ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578384 844573634 /nfs/dbraw/zinc/57/36/34/844573634.db2.gz ZNSNEMGWCKLTFZ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578384 844573638 /nfs/dbraw/zinc/57/36/38/844573638.db2.gz ZNSNEMGWCKLTFZ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579322 844574863 /nfs/dbraw/zinc/57/48/63/844574863.db2.gz RZDXRLJWKWDQRP-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083462868 841032949 /nfs/dbraw/zinc/03/29/49/841032949.db2.gz DJFTWGNLMLUQGL-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083462868 841032958 /nfs/dbraw/zinc/03/29/58/841032958.db2.gz DJFTWGNLMLUQGL-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083470094 841042753 /nfs/dbraw/zinc/04/27/53/841042753.db2.gz YTFNBBPPFHGVFX-BDXSIMOUSA-N 2 1 353.507 0.551 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083475065 841050569 /nfs/dbraw/zinc/05/05/69/841050569.db2.gz PRHHVTTZYFDLQW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083475065 841050582 /nfs/dbraw/zinc/05/05/82/841050582.db2.gz PRHHVTTZYFDLQW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083475065 841050595 /nfs/dbraw/zinc/05/05/95/841050595.db2.gz PRHHVTTZYFDLQW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696257 841327152 /nfs/dbraw/zinc/32/71/52/841327152.db2.gz RCHHEQGPKACEIM-OAGGEKHMSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696257 841327162 /nfs/dbraw/zinc/32/71/62/841327162.db2.gz RCHHEQGPKACEIM-OAGGEKHMSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275833626 861220309 /nfs/dbraw/zinc/22/03/09/861220309.db2.gz LSDVXAZCZHHCFG-IBGZPJMESA-N 2 1 351.491 0.668 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2O)o1 ZINC001084110121 841712347 /nfs/dbraw/zinc/71/23/47/841712347.db2.gz HVVVNXOZUXLOEG-IMJJTQAJSA-N 2 1 353.463 0.931 20 0 FCADMP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC001084405193 841788134 /nfs/dbraw/zinc/78/81/34/841788134.db2.gz CADBLDSVFYSEOT-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC001084405193 841788137 /nfs/dbraw/zinc/78/81/37/841788137.db2.gz CADBLDSVFYSEOT-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC001084405193 841788141 /nfs/dbraw/zinc/78/81/41/841788141.db2.gz CADBLDSVFYSEOT-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878239 861241328 /nfs/dbraw/zinc/24/13/28/861241328.db2.gz JIYVUTXYRFEXEX-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001275878239 861241337 /nfs/dbraw/zinc/24/13/37/861241337.db2.gz JIYVUTXYRFEXEX-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001275878239 861241348 /nfs/dbraw/zinc/24/13/48/861241348.db2.gz JIYVUTXYRFEXEX-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275878239 861241359 /nfs/dbraw/zinc/24/13/59/861241359.db2.gz JIYVUTXYRFEXEX-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2)C(N)=O ZINC001275881275 861246766 /nfs/dbraw/zinc/24/67/66/861246766.db2.gz YRBTUSCSYVIOBR-PMPSAXMXSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001084722291 841900732 /nfs/dbraw/zinc/90/07/32/841900732.db2.gz IKKFNFYYSDDDDD-KZNAEPCWSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001084722291 841900735 /nfs/dbraw/zinc/90/07/35/841900735.db2.gz IKKFNFYYSDDDDD-KZNAEPCWSA-N 2 1 351.491 0.811 20 0 FCADMP COCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971050 841974476 /nfs/dbraw/zinc/97/44/76/841974476.db2.gz JZDCIDXTSGDCBQ-SJORKVTESA-N 2 1 353.507 0.914 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049108 841998477 /nfs/dbraw/zinc/99/84/77/841998477.db2.gz AYPRCSBDONSCRQ-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049108 841998479 /nfs/dbraw/zinc/99/84/79/841998479.db2.gz AYPRCSBDONSCRQ-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049108 841998482 /nfs/dbraw/zinc/99/84/82/841998482.db2.gz AYPRCSBDONSCRQ-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049108 841998483 /nfs/dbraw/zinc/99/84/83/841998483.db2.gz AYPRCSBDONSCRQ-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC001086091021 842119705 /nfs/dbraw/zinc/11/97/05/842119705.db2.gz DMVIASAYEGDYJC-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090511 842119761 /nfs/dbraw/zinc/11/97/61/842119761.db2.gz CHYDVPVEZDGIGI-BPKGMFCQSA-N 2 1 371.547 0.636 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086121003 842123919 /nfs/dbraw/zinc/12/39/19/842123919.db2.gz XIXNTIUHGKJWFB-HGTKMLMNSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086121003 842123925 /nfs/dbraw/zinc/12/39/25/842123925.db2.gz XIXNTIUHGKJWFB-HGTKMLMNSA-N 2 1 350.467 0.002 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccns3)C2)C1 ZINC001086666040 842147009 /nfs/dbraw/zinc/14/70/09/842147009.db2.gz WZLZWSBPSLOKQC-SQWLQELKSA-N 2 1 352.504 0.891 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccns3)C2)C1 ZINC001086666040 842147017 /nfs/dbraw/zinc/14/70/17/842147017.db2.gz WZLZWSBPSLOKQC-SQWLQELKSA-N 2 1 352.504 0.891 20 0 FCADMP COc1nscc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665541 842147483 /nfs/dbraw/zinc/14/74/83/842147483.db2.gz HOGICYZFJKUYJW-CFVMTHIKSA-N 2 1 368.503 0.857 20 0 FCADMP COc1nscc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665541 842147501 /nfs/dbraw/zinc/14/75/01/842147501.db2.gz HOGICYZFJKUYJW-CFVMTHIKSA-N 2 1 368.503 0.857 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001086875367 842186488 /nfs/dbraw/zinc/18/64/88/842186488.db2.gz PTOZRBQWCORLFM-YESZJQIVSA-N 2 1 371.547 0.637 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087035242 842231743 /nfs/dbraw/zinc/23/17/43/842231743.db2.gz RSHZBQLCWFCOMJ-RBSFLKMASA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087035242 842231753 /nfs/dbraw/zinc/23/17/53/842231753.db2.gz RSHZBQLCWFCOMJ-RBSFLKMASA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087035319 842232363 /nfs/dbraw/zinc/23/23/63/842232363.db2.gz WCFJDEXUELGSDO-RBSFLKMASA-N 2 1 367.519 0.894 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087034914 842232628 /nfs/dbraw/zinc/23/26/28/842232628.db2.gz CYDORJIRKYZLNY-QLFBSQMISA-N 2 1 367.519 0.894 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087038746 842235735 /nfs/dbraw/zinc/23/57/35/842235735.db2.gz XCALBDDEQMMXKI-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087038746 842235744 /nfs/dbraw/zinc/23/57/44/842235744.db2.gz XCALBDDEQMMXKI-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087063127 842259781 /nfs/dbraw/zinc/25/97/81/842259781.db2.gz JLUUIGSSADYOAF-FVQBIDKESA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087063127 842259788 /nfs/dbraw/zinc/25/97/88/842259788.db2.gz JLUUIGSSADYOAF-FVQBIDKESA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083483 842275599 /nfs/dbraw/zinc/27/55/99/842275599.db2.gz HJIXIWMUKFKSDX-SQWLQELKSA-N 2 1 351.451 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087096192 842285452 /nfs/dbraw/zinc/28/54/52/842285452.db2.gz BPLFCZFWOCRSFR-IIAWOOMASA-N 2 1 351.451 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087100775 842288731 /nfs/dbraw/zinc/28/87/31/842288731.db2.gz CYWHNOPEYUKCKU-GZBFAFLISA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087100775 842288744 /nfs/dbraw/zinc/28/87/44/842288744.db2.gz CYWHNOPEYUKCKU-GZBFAFLISA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087100815 842289609 /nfs/dbraw/zinc/28/96/09/842289609.db2.gz GEFOWXQKKUYSCH-HUUCEWRRSA-N 2 1 351.451 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087101179 842290084 /nfs/dbraw/zinc/29/00/84/842290084.db2.gz XJZUNGVENAIPGJ-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087100947 842290190 /nfs/dbraw/zinc/29/01/90/842290190.db2.gz MGRWGLBANWKPKT-UKRRQHHQSA-N 2 1 353.492 0.587 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087101180 842291003 /nfs/dbraw/zinc/29/10/03/842291003.db2.gz XJZUNGVENAIPGJ-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087175575 842307978 /nfs/dbraw/zinc/30/79/78/842307978.db2.gz VFNDZSKTGFERAW-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087213067 842318726 /nfs/dbraw/zinc/31/87/26/842318726.db2.gz CTGUNJLASZOMBX-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CCCO ZINC001087601295 842372778 /nfs/dbraw/zinc/37/27/78/842372778.db2.gz KMWBCRMGZNQJMC-RCCFBDPRSA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CCCO ZINC001087601295 842372788 /nfs/dbraw/zinc/37/27/88/842372788.db2.gz KMWBCRMGZNQJMC-RCCFBDPRSA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CCCO ZINC001087601295 842372799 /nfs/dbraw/zinc/37/27/99/842372799.db2.gz KMWBCRMGZNQJMC-RCCFBDPRSA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1CCCC1=O ZINC001087796827 842433294 /nfs/dbraw/zinc/43/32/94/842433294.db2.gz NUKLMOLQILZNGQ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087796827 842433300 /nfs/dbraw/zinc/43/33/00/842433300.db2.gz NUKLMOLQILZNGQ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087796827 842433308 /nfs/dbraw/zinc/43/33/08/842433308.db2.gz NUKLMOLQILZNGQ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920650 842471500 /nfs/dbraw/zinc/47/15/00/842471500.db2.gz WTQNWSUYBYFCFQ-HLLBOEOZSA-N 2 1 364.515 0.797 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920650 842471507 /nfs/dbraw/zinc/47/15/07/842471507.db2.gz WTQNWSUYBYFCFQ-HLLBOEOZSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920650 842471511 /nfs/dbraw/zinc/47/15/11/842471511.db2.gz WTQNWSUYBYFCFQ-HLLBOEOZSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCc4ccns4)CC[C@@H]3C2)C1 ZINC001087920650 842471520 /nfs/dbraw/zinc/47/15/20/842471520.db2.gz WTQNWSUYBYFCFQ-HLLBOEOZSA-N 2 1 364.515 0.797 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001087994106 842494508 /nfs/dbraw/zinc/49/45/08/842494508.db2.gz RFORMOMNUCOVHS-IKGGRYGDSA-N 2 1 351.470 0.953 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001087994106 842494515 /nfs/dbraw/zinc/49/45/15/842494515.db2.gz RFORMOMNUCOVHS-IKGGRYGDSA-N 2 1 351.470 0.953 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088003092 842497614 /nfs/dbraw/zinc/49/76/14/842497614.db2.gz JDYBQUWGJFAPSG-RYRKJORJSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088063868 842520915 /nfs/dbraw/zinc/52/09/15/842520915.db2.gz ALCQMQIBKLIMDP-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088063868 842520920 /nfs/dbraw/zinc/52/09/20/842520920.db2.gz ALCQMQIBKLIMDP-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077151 842524946 /nfs/dbraw/zinc/52/49/46/842524946.db2.gz LSLHERRNYOUBSM-IKGGRYGDSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077151 842524949 /nfs/dbraw/zinc/52/49/49/842524949.db2.gz LSLHERRNYOUBSM-IKGGRYGDSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077151 842524951 /nfs/dbraw/zinc/52/49/51/842524951.db2.gz LSLHERRNYOUBSM-IKGGRYGDSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081756 842526883 /nfs/dbraw/zinc/52/68/83/842526883.db2.gz CQVQTZPIJUBOGE-NXOAAHMSSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081756 842526887 /nfs/dbraw/zinc/52/68/87/842526887.db2.gz CQVQTZPIJUBOGE-NXOAAHMSSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001088081756 842526893 /nfs/dbraw/zinc/52/68/93/842526893.db2.gz CQVQTZPIJUBOGE-NXOAAHMSSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001088081756 842526897 /nfs/dbraw/zinc/52/68/97/842526897.db2.gz CQVQTZPIJUBOGE-NXOAAHMSSA-N 2 1 371.547 0.542 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107384 842532749 /nfs/dbraw/zinc/53/27/49/842532749.db2.gz VIFCUKLIRPVBDU-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107384 842532757 /nfs/dbraw/zinc/53/27/57/842532757.db2.gz VIFCUKLIRPVBDU-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107384 842532764 /nfs/dbraw/zinc/53/27/64/842532764.db2.gz VIFCUKLIRPVBDU-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106762 842533032 /nfs/dbraw/zinc/53/30/32/842533032.db2.gz PRJJOXKFKZYIFQ-GLJUWKHASA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106762 842533045 /nfs/dbraw/zinc/53/30/45/842533045.db2.gz PRJJOXKFKZYIFQ-GLJUWKHASA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106762 842533054 /nfs/dbraw/zinc/53/30/54/842533054.db2.gz PRJJOXKFKZYIFQ-GLJUWKHASA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088157716 842545979 /nfs/dbraw/zinc/54/59/79/842545979.db2.gz CVAWIJKIDCKOJQ-UAGQMJEPSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088836265 842689970 /nfs/dbraw/zinc/68/99/70/842689970.db2.gz NJBDZOPPYKTODT-HIFRSBDPSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001088835961 842690332 /nfs/dbraw/zinc/69/03/32/842690332.db2.gz XPFDSZILASSPOJ-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001088835961 842690336 /nfs/dbraw/zinc/69/03/36/842690336.db2.gz XPFDSZILASSPOJ-INMHGKMJSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758856 843089426 /nfs/dbraw/zinc/08/94/26/843089426.db2.gz OJZTXYAEEKTUJB-AYBZRNKSSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910169 843121995 /nfs/dbraw/zinc/12/19/95/843121995.db2.gz KPXRIJZLAUYFLG-CLCXKQKWSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010504 843140097 /nfs/dbraw/zinc/14/00/97/843140097.db2.gz FPCULIJXRXFPTN-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010504 843140100 /nfs/dbraw/zinc/14/01/00/843140100.db2.gz FPCULIJXRXFPTN-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010504 843140103 /nfs/dbraw/zinc/14/01/03/843140103.db2.gz FPCULIJXRXFPTN-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010504 843140105 /nfs/dbraw/zinc/14/01/05/843140105.db2.gz FPCULIJXRXFPTN-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001092275723 843175234 /nfs/dbraw/zinc/17/52/34/843175234.db2.gz MRFIHNSYWAJDRY-JZXOWHBKSA-N 2 1 369.531 0.297 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092301505 843182307 /nfs/dbraw/zinc/18/23/07/843182307.db2.gz LAVLENQMGKUUGG-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092301506 843182472 /nfs/dbraw/zinc/18/24/72/843182472.db2.gz LAVLENQMGKUUGG-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657967 843269798 /nfs/dbraw/zinc/26/97/98/843269798.db2.gz APEVCSQSPGZTRD-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657967 843269807 /nfs/dbraw/zinc/26/98/07/843269807.db2.gz APEVCSQSPGZTRD-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657967 843269825 /nfs/dbraw/zinc/26/98/25/843269825.db2.gz APEVCSQSPGZTRD-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657967 843269835 /nfs/dbraw/zinc/26/98/35/843269835.db2.gz APEVCSQSPGZTRD-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092724320 843286979 /nfs/dbraw/zinc/28/69/79/843286979.db2.gz KNBWLNXIRIIPLU-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092724320 843286988 /nfs/dbraw/zinc/28/69/88/843286988.db2.gz KNBWLNXIRIIPLU-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092724320 843286997 /nfs/dbraw/zinc/28/69/97/843286997.db2.gz KNBWLNXIRIIPLU-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092724320 843287009 /nfs/dbraw/zinc/28/70/09/843287009.db2.gz KNBWLNXIRIIPLU-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092772724 843296651 /nfs/dbraw/zinc/29/66/51/843296651.db2.gz BPAFVUKFRXGVOS-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093825626 843475252 /nfs/dbraw/zinc/47/52/52/843475252.db2.gz MXNVLPOSBYQWEO-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)C1 ZINC001094232149 843537539 /nfs/dbraw/zinc/53/75/39/843537539.db2.gz MZSMCPAPQDKWDL-FVQBIDKESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)C1 ZINC001094232149 843537545 /nfs/dbraw/zinc/53/75/45/843537545.db2.gz MZSMCPAPQDKWDL-FVQBIDKESA-N 2 1 350.463 0.888 20 0 FCADMP COCC[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276358071 861429579 /nfs/dbraw/zinc/42/95/79/861429579.db2.gz XXIZHOFVQMVLJR-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP COC(=O)c1csc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276448500 861451600 /nfs/dbraw/zinc/45/16/00/861451600.db2.gz BEFWLIFNWDSPLD-KRWDZBQOSA-N 2 1 366.487 0.916 20 0 FCADMP COC(=O)c1csc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276448500 861451609 /nfs/dbraw/zinc/45/16/09/861451609.db2.gz BEFWLIFNWDSPLD-KRWDZBQOSA-N 2 1 366.487 0.916 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098394967 843914759 /nfs/dbraw/zinc/91/47/59/843914759.db2.gz VECKDIYGYUOILI-JJXSEGSLSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098394967 843914768 /nfs/dbraw/zinc/91/47/68/843914768.db2.gz VECKDIYGYUOILI-JJXSEGSLSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098394967 843914777 /nfs/dbraw/zinc/91/47/77/843914777.db2.gz VECKDIYGYUOILI-JJXSEGSLSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098394967 843914782 /nfs/dbraw/zinc/91/47/82/843914782.db2.gz VECKDIYGYUOILI-JJXSEGSLSA-N 2 1 364.515 0.891 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001098447126 843919624 /nfs/dbraw/zinc/91/96/24/843919624.db2.gz ZTUUDJDAPIIBEI-NRSFXHEJSA-N 2 1 351.491 0.998 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001098447126 843919635 /nfs/dbraw/zinc/91/96/35/843919635.db2.gz ZTUUDJDAPIIBEI-NRSFXHEJSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC2CCC2)C1 ZINC001098447126 843919640 /nfs/dbraw/zinc/91/96/40/843919640.db2.gz ZTUUDJDAPIIBEI-NRSFXHEJSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC2CCC2)C1 ZINC001098447126 843919645 /nfs/dbraw/zinc/91/96/45/843919645.db2.gz ZTUUDJDAPIIBEI-NRSFXHEJSA-N 2 1 351.491 0.998 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223177 843978865 /nfs/dbraw/zinc/97/88/65/843978865.db2.gz HRRFSCRWMHJQNY-MCIONIFRSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223177 843978870 /nfs/dbraw/zinc/97/88/70/843978870.db2.gz HRRFSCRWMHJQNY-MCIONIFRSA-N 2 1 359.396 0.993 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780958 844646243 /nfs/dbraw/zinc/64/62/43/844646243.db2.gz WPSQKLJZCUXMPR-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780958 844646246 /nfs/dbraw/zinc/64/62/46/844646246.db2.gz WPSQKLJZCUXMPR-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780958 844646249 /nfs/dbraw/zinc/64/62/49/844646249.db2.gz WPSQKLJZCUXMPR-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103060532 844693854 /nfs/dbraw/zinc/69/38/54/844693854.db2.gz RFRZXOPQGDHBET-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103060532 844693858 /nfs/dbraw/zinc/69/38/58/844693858.db2.gz RFRZXOPQGDHBET-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103060532 844693862 /nfs/dbraw/zinc/69/38/62/844693862.db2.gz RFRZXOPQGDHBET-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087882 844698923 /nfs/dbraw/zinc/69/89/23/844698923.db2.gz OGRQPIWHHMOULM-KYJSFNMBSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)[NH+](C)C ZINC001103111653 844703383 /nfs/dbraw/zinc/70/33/83/844703383.db2.gz GMBZKGQULZVMED-ZACQAIPSSA-N 2 1 350.511 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001103143459 844707406 /nfs/dbraw/zinc/70/74/06/844707406.db2.gz ZZRWBUGUCNJEDA-IAGOWNOFSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148250 844708850 /nfs/dbraw/zinc/70/88/50/844708850.db2.gz TVWWMAFQULLGRT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148250 844708857 /nfs/dbraw/zinc/70/88/57/844708857.db2.gz TVWWMAFQULLGRT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148250 844708863 /nfs/dbraw/zinc/70/88/63/844708863.db2.gz TVWWMAFQULLGRT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103156774 844712020 /nfs/dbraw/zinc/71/20/20/844712020.db2.gz VQXMEEFIALGFTH-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103156774 844712022 /nfs/dbraw/zinc/71/20/22/844712022.db2.gz VQXMEEFIALGFTH-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103156774 844712026 /nfs/dbraw/zinc/71/20/26/844712026.db2.gz VQXMEEFIALGFTH-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103250058 844727268 /nfs/dbraw/zinc/72/72/68/844727268.db2.gz ZRBFVDCNMMXVCT-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP COCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001103250058 844727276 /nfs/dbraw/zinc/72/72/76/844727276.db2.gz ZRBFVDCNMMXVCT-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP COCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001103250058 844727280 /nfs/dbraw/zinc/72/72/80/844727280.db2.gz ZRBFVDCNMMXVCT-LDBBTLTOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249860 844727617 /nfs/dbraw/zinc/72/76/17/844727617.db2.gz VAJJXUQULCYACI-QCZOYZIOSA-N 2 1 351.491 0.306 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001103249860 844727618 /nfs/dbraw/zinc/72/76/18/844727618.db2.gz VAJJXUQULCYACI-QCZOYZIOSA-N 2 1 351.491 0.306 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001103249860 844727620 /nfs/dbraw/zinc/72/76/20/844727620.db2.gz VAJJXUQULCYACI-QCZOYZIOSA-N 2 1 351.491 0.306 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103309318 844735210 /nfs/dbraw/zinc/73/52/10/844735210.db2.gz VUOBUOIWTUIVBL-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367688 844744472 /nfs/dbraw/zinc/74/44/72/844744472.db2.gz DSTABNIICCERTN-DISONHOPSA-N 2 1 355.523 0.798 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103367688 844744474 /nfs/dbraw/zinc/74/44/74/844744474.db2.gz DSTABNIICCERTN-DISONHOPSA-N 2 1 355.523 0.798 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103367688 844744475 /nfs/dbraw/zinc/74/44/75/844744475.db2.gz DSTABNIICCERTN-DISONHOPSA-N 2 1 355.523 0.798 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395726 844750676 /nfs/dbraw/zinc/75/06/76/844750676.db2.gz ITSVBLCLJODKFQ-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398154 844750979 /nfs/dbraw/zinc/75/09/79/844750979.db2.gz FOSDVAWVQGFQJY-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C)[NH+](C)C ZINC001103407692 844752096 /nfs/dbraw/zinc/75/20/96/844752096.db2.gz PJKXGTMJZWURMX-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C)[NH+](C)C ZINC001103407692 844752098 /nfs/dbraw/zinc/75/20/98/844752098.db2.gz PJKXGTMJZWURMX-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436252 844757122 /nfs/dbraw/zinc/75/71/22/844757122.db2.gz QHPFOGVGCUUUKQ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436252 844757128 /nfs/dbraw/zinc/75/71/28/844757128.db2.gz QHPFOGVGCUUUKQ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436252 844757133 /nfs/dbraw/zinc/75/71/33/844757133.db2.gz QHPFOGVGCUUUKQ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](COCC(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001103448381 844760643 /nfs/dbraw/zinc/76/06/43/844760643.db2.gz JKSAHMXLMXYFNR-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497504 844768500 /nfs/dbraw/zinc/76/85/00/844768500.db2.gz JOFCYYWZYVEBTG-KBAYOESNSA-N 2 1 355.523 0.800 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550568 844779206 /nfs/dbraw/zinc/77/92/06/844779206.db2.gz XDHUXSWXFCHVDD-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103550142 844779479 /nfs/dbraw/zinc/77/94/79/844779479.db2.gz AQDSDSBOCLEYCP-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP COC[C@H](NC(=O)[C@@H]1CC12CC[NH+](CCC[NH+](C)C)CC2)C(=O)OC ZINC001276609927 861497379 /nfs/dbraw/zinc/49/73/79/861497379.db2.gz NADSJIMUZOBLFD-GJZGRUSLSA-N 2 1 355.479 0.344 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103642163 844793775 /nfs/dbraw/zinc/79/37/75/844793775.db2.gz SLMQOMSZUGSQJT-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103642163 844793777 /nfs/dbraw/zinc/79/37/77/844793777.db2.gz SLMQOMSZUGSQJT-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103642163 844793778 /nfs/dbraw/zinc/79/37/78/844793778.db2.gz SLMQOMSZUGSQJT-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647170 844794678 /nfs/dbraw/zinc/79/46/78/844794678.db2.gz XJSXFZPDQNDVST-HZPDHXFCSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646845 844795313 /nfs/dbraw/zinc/79/53/13/844795313.db2.gz IFUIKSPSWXNKRV-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755698 844816833 /nfs/dbraw/zinc/81/68/33/844816833.db2.gz NVOUCELFFWANGM-JFIYKMOQSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104186330 844872875 /nfs/dbraw/zinc/87/28/75/844872875.db2.gz ZBZGUMOXVUAXJZ-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630363 861507350 /nfs/dbraw/zinc/50/73/50/861507350.db2.gz PKRMYQDHIFFBOG-LPHOPBHVSA-N 2 1 350.507 0.526 20 0 FCADMP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289699 844891762 /nfs/dbraw/zinc/89/17/62/844891762.db2.gz PHYCILCXUJOSSS-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104311163 844893414 /nfs/dbraw/zinc/89/34/14/844893414.db2.gz VHGOPUNWTOPNFE-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104422221 844910288 /nfs/dbraw/zinc/91/02/88/844910288.db2.gz GPZRQBZLBLRTMK-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001104621650 844926898 /nfs/dbraw/zinc/92/68/98/844926898.db2.gz JNUQZYZJFSUUQH-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104676348 844931638 /nfs/dbraw/zinc/93/16/38/844931638.db2.gz GJENVWUENHRWPI-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678726 844932230 /nfs/dbraw/zinc/93/22/30/844932230.db2.gz ASPVHLLNLLOQRS-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683929 844932870 /nfs/dbraw/zinc/93/28/70/844932870.db2.gz VLHJNSYYWUJGHY-ZACQAIPSSA-N 2 1 355.523 0.800 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104938576 844961673 /nfs/dbraw/zinc/96/16/73/844961673.db2.gz VWNPKXMRBXYOOA-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104937492 844961893 /nfs/dbraw/zinc/96/18/93/844961893.db2.gz AUQQFFAFIFMXBK-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)C1 ZINC001105041712 844973956 /nfs/dbraw/zinc/97/39/56/844973956.db2.gz IGRMFDMNNUPDBP-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)C1 ZINC001105041712 844973962 /nfs/dbraw/zinc/97/39/62/844973962.db2.gz IGRMFDMNNUPDBP-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(CCC([NH2+]CCCO)CC3)C2)CC[N@H+]1C ZINC001105470951 844987411 /nfs/dbraw/zinc/98/74/11/844987411.db2.gz PPTKDDRYTOIYOX-FXQQTDPRSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106150683 845115564 /nfs/dbraw/zinc/11/55/64/845115564.db2.gz ALZKVWTWZATVIF-LVQVYYBASA-N 2 1 359.536 0.445 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106198781 845129305 /nfs/dbraw/zinc/12/93/05/845129305.db2.gz NTXDLTVUVYZGSX-MGPQQGTHSA-N 2 1 355.462 0.074 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)N(C)C ZINC001106668480 845219745 /nfs/dbraw/zinc/21/97/45/845219745.db2.gz MIEDRTCJGVEPHL-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106672421 845222189 /nfs/dbraw/zinc/22/21/89/845222189.db2.gz VCRHJGKXSBECRO-ZIAGYGMSSA-N 2 1 351.499 0.372 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106874811 845276073 /nfs/dbraw/zinc/27/60/73/845276073.db2.gz UJOUWKTUPCJTJT-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106874940 845276424 /nfs/dbraw/zinc/27/64/24/845276424.db2.gz ZVYWCOCZHBRLEZ-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106908167 845284026 /nfs/dbraw/zinc/28/40/26/845284026.db2.gz TVFHBVCPEXPDPC-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107036652 845315732 /nfs/dbraw/zinc/31/57/32/845315732.db2.gz OLAOMHWUGRQJQM-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107036677 845315916 /nfs/dbraw/zinc/31/59/16/845315916.db2.gz PCRMUFANWZNQRT-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042719 845318594 /nfs/dbraw/zinc/31/85/94/845318594.db2.gz ZKAWQNPQFWTBJP-HUUCEWRRSA-N 2 1 351.499 0.607 20 0 FCADMP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042662 845318635 /nfs/dbraw/zinc/31/86/35/845318635.db2.gz XBGRHOVUDZYWBR-ZACQAIPSSA-N 2 1 359.511 0.035 20 0 FCADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2)[NH+](C)C ZINC001107450435 845374963 /nfs/dbraw/zinc/37/49/63/845374963.db2.gz HNGLSNMOQKZXHG-BFYDXBDKSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2)[NH+](C)C ZINC001107450435 845374974 /nfs/dbraw/zinc/37/49/74/845374974.db2.gz HNGLSNMOQKZXHG-BFYDXBDKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107546677 845396439 /nfs/dbraw/zinc/39/64/39/845396439.db2.gz LHRNIBIDCXTJEO-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107546677 845396451 /nfs/dbraw/zinc/39/64/51/845396451.db2.gz LHRNIBIDCXTJEO-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107546677 845396461 /nfs/dbraw/zinc/39/64/61/845396461.db2.gz LHRNIBIDCXTJEO-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632166 845411794 /nfs/dbraw/zinc/41/17/94/845411794.db2.gz UDXNLZXHPAIZAG-FRQCXROJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632166 845411801 /nfs/dbraw/zinc/41/18/01/845411801.db2.gz UDXNLZXHPAIZAG-FRQCXROJSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632166 845411807 /nfs/dbraw/zinc/41/18/07/845411807.db2.gz UDXNLZXHPAIZAG-FRQCXROJSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107633793 845412079 /nfs/dbraw/zinc/41/20/79/845412079.db2.gz CLIXUDOSEOXQAZ-SJLPKXTDSA-N 2 1 350.463 0.561 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107633793 845412085 /nfs/dbraw/zinc/41/20/85/845412085.db2.gz CLIXUDOSEOXQAZ-SJLPKXTDSA-N 2 1 350.463 0.561 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756262 861581248 /nfs/dbraw/zinc/58/12/48/861581248.db2.gz LKCVKOKVORZDNU-MAUKXSAKSA-N 2 1 353.463 0.193 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756262 861581263 /nfs/dbraw/zinc/58/12/63/861581263.db2.gz LKCVKOKVORZDNU-MAUKXSAKSA-N 2 1 353.463 0.193 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276759181 861585274 /nfs/dbraw/zinc/58/52/74/861585274.db2.gz ZEUGWNKBRNTCCF-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276759181 861585266 /nfs/dbraw/zinc/58/52/66/861585266.db2.gz ZEUGWNKBRNTCCF-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294228 845616524 /nfs/dbraw/zinc/61/65/24/845616524.db2.gz OBPNYAMRDCCUGG-BDXSIMOUSA-N 2 1 351.491 0.713 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001109361308 845628475 /nfs/dbraw/zinc/62/84/75/845628475.db2.gz RSFBXBFILIMCKG-WCVJEAGWSA-N 2 1 352.458 0.680 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)C12CCC[NH+](CCC1)C2 ZINC001109442709 845654610 /nfs/dbraw/zinc/65/46/10/845654610.db2.gz CTFHFFHPKGVBBF-IKGGRYGDSA-N 2 1 351.491 0.593 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001109447642 845655881 /nfs/dbraw/zinc/65/58/81/845655881.db2.gz YDDKZYPABBUDFK-QXSJWSMHSA-N 2 1 353.511 0.756 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001109447642 845655887 /nfs/dbraw/zinc/65/58/87/845655887.db2.gz YDDKZYPABBUDFK-QXSJWSMHSA-N 2 1 353.511 0.756 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001109464067 845666980 /nfs/dbraw/zinc/66/69/80/845666980.db2.gz KDWDXJTXEGRCET-ILXRZTDVSA-N 2 1 351.495 0.463 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001109464067 845666984 /nfs/dbraw/zinc/66/69/84/845666984.db2.gz KDWDXJTXEGRCET-ILXRZTDVSA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109464067 845666988 /nfs/dbraw/zinc/66/69/88/845666988.db2.gz KDWDXJTXEGRCET-ILXRZTDVSA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109464067 845666991 /nfs/dbraw/zinc/66/69/91/845666991.db2.gz KDWDXJTXEGRCET-ILXRZTDVSA-N 2 1 351.495 0.463 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565150 845689605 /nfs/dbraw/zinc/68/96/05/845689605.db2.gz BUABRVIPABASQL-QZWWFDLISA-N 2 1 353.507 0.980 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650985 845703396 /nfs/dbraw/zinc/70/33/96/845703396.db2.gz COCRTJROGADFGQ-FZKCQIBNSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650985 845703405 /nfs/dbraw/zinc/70/34/05/845703405.db2.gz COCRTJROGADFGQ-FZKCQIBNSA-N 2 1 350.507 0.964 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654094 845705855 /nfs/dbraw/zinc/70/58/55/845705855.db2.gz VTALXPKQWQWTBX-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669109 845709880 /nfs/dbraw/zinc/70/98/80/845709880.db2.gz OJZLZPWFJNQYKY-SIXLDLHFSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669109 845709886 /nfs/dbraw/zinc/70/98/86/845709886.db2.gz OJZLZPWFJNQYKY-SIXLDLHFSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001109866590 845751335 /nfs/dbraw/zinc/75/13/35/845751335.db2.gz JKEIPCMPXNWULC-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977664 845770989 /nfs/dbraw/zinc/77/09/89/845770989.db2.gz UCVXGXSRUUMJOR-PMPSAXMXSA-N 2 1 354.495 0.155 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977664 845770992 /nfs/dbraw/zinc/77/09/92/845770992.db2.gz UCVXGXSRUUMJOR-PMPSAXMXSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001110018018 845777195 /nfs/dbraw/zinc/77/71/95/845777195.db2.gz XWFOQMLTOSKRBB-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001110018018 845777198 /nfs/dbraw/zinc/77/71/98/845777198.db2.gz XWFOQMLTOSKRBB-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110018018 845777203 /nfs/dbraw/zinc/77/72/03/845777203.db2.gz XWFOQMLTOSKRBB-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110018018 845777208 /nfs/dbraw/zinc/77/72/08/845777208.db2.gz XWFOQMLTOSKRBB-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001110020509 845777300 /nfs/dbraw/zinc/77/73/00/845777300.db2.gz GFDOPJLGYOJDBC-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001110020509 845777306 /nfs/dbraw/zinc/77/73/06/845777306.db2.gz GFDOPJLGYOJDBC-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001110020509 845777313 /nfs/dbraw/zinc/77/73/13/845777313.db2.gz GFDOPJLGYOJDBC-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001110020509 845777318 /nfs/dbraw/zinc/77/73/18/845777318.db2.gz GFDOPJLGYOJDBC-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001110014835 845777696 /nfs/dbraw/zinc/77/76/96/845777696.db2.gz KXFQQUXAOKGNAK-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001110014835 845777704 /nfs/dbraw/zinc/77/77/04/845777704.db2.gz KXFQQUXAOKGNAK-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001110014835 845777711 /nfs/dbraw/zinc/77/77/11/845777711.db2.gz KXFQQUXAOKGNAK-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001110014835 845777715 /nfs/dbraw/zinc/77/77/15/845777715.db2.gz KXFQQUXAOKGNAK-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575425 845921440 /nfs/dbraw/zinc/92/14/40/845921440.db2.gz LJMISBHOKRBBFA-HHARLNAUSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575425 845921443 /nfs/dbraw/zinc/92/14/43/845921443.db2.gz LJMISBHOKRBBFA-HHARLNAUSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575425 845921446 /nfs/dbraw/zinc/92/14/46/845921446.db2.gz LJMISBHOKRBBFA-HHARLNAUSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575425 845921450 /nfs/dbraw/zinc/92/14/50/845921450.db2.gz LJMISBHOKRBBFA-HHARLNAUSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947760 846000841 /nfs/dbraw/zinc/00/08/41/846000841.db2.gz SUNWIAZYYBAEIV-SIRPWMCASA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947760 846000851 /nfs/dbraw/zinc/00/08/51/846000851.db2.gz SUNWIAZYYBAEIV-SIRPWMCASA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110947760 846000857 /nfs/dbraw/zinc/00/08/57/846000857.db2.gz SUNWIAZYYBAEIV-SIRPWMCASA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110947760 846000861 /nfs/dbraw/zinc/00/08/61/846000861.db2.gz SUNWIAZYYBAEIV-SIRPWMCASA-N 2 1 350.507 0.963 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947218 846001153 /nfs/dbraw/zinc/00/11/53/846001153.db2.gz DGFUKICPAFYYFL-SIRPWMCASA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947218 846001160 /nfs/dbraw/zinc/00/11/60/846001160.db2.gz DGFUKICPAFYYFL-SIRPWMCASA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110947218 846001171 /nfs/dbraw/zinc/00/11/71/846001171.db2.gz DGFUKICPAFYYFL-SIRPWMCASA-N 2 1 350.507 0.917 20 0 FCADMP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110947218 846001179 /nfs/dbraw/zinc/00/11/79/846001179.db2.gz DGFUKICPAFYYFL-SIRPWMCASA-N 2 1 350.507 0.917 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982112 846007540 /nfs/dbraw/zinc/00/75/40/846007540.db2.gz IZNVLSJBKZCTLD-KFWWJZLASA-N 2 1 352.504 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982112 846007543 /nfs/dbraw/zinc/00/75/43/846007543.db2.gz IZNVLSJBKZCTLD-KFWWJZLASA-N 2 1 352.504 0.891 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001111028230 846019110 /nfs/dbraw/zinc/01/91/10/846019110.db2.gz ONFFTQXSAUEACC-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001111028230 846019114 /nfs/dbraw/zinc/01/91/14/846019114.db2.gz ONFFTQXSAUEACC-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001111028230 846019125 /nfs/dbraw/zinc/01/91/25/846019125.db2.gz ONFFTQXSAUEACC-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001111028230 846019134 /nfs/dbraw/zinc/01/91/34/846019134.db2.gz ONFFTQXSAUEACC-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001111037219 846020130 /nfs/dbraw/zinc/02/01/30/846020130.db2.gz QQUCJQUKRHIBOX-WCVJEAGWSA-N 2 1 374.551 0.330 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001111037219 846020137 /nfs/dbraw/zinc/02/01/37/846020137.db2.gz QQUCJQUKRHIBOX-WCVJEAGWSA-N 2 1 374.551 0.330 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078241 846027257 /nfs/dbraw/zinc/02/72/57/846027257.db2.gz PUHMGIWKOAIHCN-QXSJWSMHSA-N 2 1 350.463 0.735 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078241 846027261 /nfs/dbraw/zinc/02/72/61/846027261.db2.gz PUHMGIWKOAIHCN-QXSJWSMHSA-N 2 1 350.463 0.735 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCOC1 ZINC001111151741 846048883 /nfs/dbraw/zinc/04/88/83/846048883.db2.gz IMGCAMDKJGWYJQ-TVFCKZIOSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCOC1 ZINC001111151741 846048887 /nfs/dbraw/zinc/04/88/87/846048887.db2.gz IMGCAMDKJGWYJQ-TVFCKZIOSA-N 2 1 351.491 0.857 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111171915 846053025 /nfs/dbraw/zinc/05/30/25/846053025.db2.gz ZWCZRHOERBPOTJ-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001111234870 846066781 /nfs/dbraw/zinc/06/67/81/846066781.db2.gz SJLHGPJYYGHXCJ-JJXSEGSLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001111234870 846066787 /nfs/dbraw/zinc/06/67/87/846066787.db2.gz SJLHGPJYYGHXCJ-JJXSEGSLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111234870 846066793 /nfs/dbraw/zinc/06/67/93/846066793.db2.gz SJLHGPJYYGHXCJ-JJXSEGSLSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111234870 846066799 /nfs/dbraw/zinc/06/67/99/846066799.db2.gz SJLHGPJYYGHXCJ-JJXSEGSLSA-N 2 1 359.536 0.730 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001111408384 846100536 /nfs/dbraw/zinc/10/05/36/846100536.db2.gz WCHIZJVAZRHVLR-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001111408384 846100539 /nfs/dbraw/zinc/10/05/39/846100539.db2.gz WCHIZJVAZRHVLR-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494347 846127172 /nfs/dbraw/zinc/12/71/72/846127172.db2.gz KXUQBJKOZRLHNN-XDNAFOTISA-N 2 1 353.507 0.981 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864170 846234544 /nfs/dbraw/zinc/23/45/44/846234544.db2.gz DIBJSOPOFJCYEM-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864170 846234550 /nfs/dbraw/zinc/23/45/50/846234550.db2.gz DIBJSOPOFJCYEM-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111949190 846272741 /nfs/dbraw/zinc/27/27/41/846272741.db2.gz RTGYOHWQHHWVBM-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCN(C)C1=O)C2 ZINC001111952571 846273932 /nfs/dbraw/zinc/27/39/32/846273932.db2.gz ONKBOLOVOONVJY-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111952571 846273938 /nfs/dbraw/zinc/27/39/38/846273938.db2.gz ONKBOLOVOONVJY-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111952571 846273945 /nfs/dbraw/zinc/27/39/45/846273945.db2.gz ONKBOLOVOONVJY-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCS(C)(=O)=O)C2 ZINC001111951236 846274138 /nfs/dbraw/zinc/27/41/38/846274138.db2.gz YYOIUOSYYXCVRL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCS(C)(=O)=O)C2 ZINC001111951236 846274151 /nfs/dbraw/zinc/27/41/51/846274151.db2.gz YYOIUOSYYXCVRL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001111951236 846274163 /nfs/dbraw/zinc/27/41/63/846274163.db2.gz YYOIUOSYYXCVRL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001111951236 846274175 /nfs/dbraw/zinc/27/41/75/846274175.db2.gz YYOIUOSYYXCVRL-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006171 846291592 /nfs/dbraw/zinc/29/15/92/846291592.db2.gz LMOIEGDMQLJYOY-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075523 846354296 /nfs/dbraw/zinc/35/42/96/846354296.db2.gz GKAOZZFMBAXFBR-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075523 846354310 /nfs/dbraw/zinc/35/43/10/846354310.db2.gz GKAOZZFMBAXFBR-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112121278 846400149 /nfs/dbraw/zinc/40/01/49/846400149.db2.gz DYWRLWHHVPZFDK-FDYHWXHSSA-N 2 1 353.385 0.331 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112121278 846400155 /nfs/dbraw/zinc/40/01/55/846400155.db2.gz DYWRLWHHVPZFDK-FDYHWXHSSA-N 2 1 353.385 0.331 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112158839 846424616 /nfs/dbraw/zinc/42/46/16/846424616.db2.gz AOIUDMJODDAXMN-YNEHKIRRSA-N 2 1 366.428 0.832 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001112164793 846427661 /nfs/dbraw/zinc/42/76/61/846427661.db2.gz RTBWXNXNGIRCLE-UTUOFQBUSA-N 2 1 352.401 0.571 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112166974 846430422 /nfs/dbraw/zinc/43/04/22/846430422.db2.gz BCJOGEKSORTSFL-QJPTWQEYSA-N 2 1 366.428 0.817 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112166974 846430431 /nfs/dbraw/zinc/43/04/31/846430431.db2.gz BCJOGEKSORTSFL-QJPTWQEYSA-N 2 1 366.428 0.817 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167227 846431002 /nfs/dbraw/zinc/43/10/02/846431002.db2.gz KAVIQXUQRAZXFO-VXGBXAGGSA-N 2 1 364.412 0.443 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167227 846431006 /nfs/dbraw/zinc/43/10/06/846431006.db2.gz KAVIQXUQRAZXFO-VXGBXAGGSA-N 2 1 364.412 0.443 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112189904 846448704 /nfs/dbraw/zinc/44/87/04/846448704.db2.gz BQCKPDKHGREPPT-JHJVBQTASA-N 2 1 355.401 0.314 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112193399 846452536 /nfs/dbraw/zinc/45/25/36/846452536.db2.gz YLPLKFWFLGRZPP-VXGBXAGGSA-N 2 1 362.396 0.197 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194024 846452683 /nfs/dbraw/zinc/45/26/83/846452683.db2.gz IRBPAOUIXAPTPI-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194024 846452688 /nfs/dbraw/zinc/45/26/88/846452688.db2.gz IRBPAOUIXAPTPI-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112197489 846454815 /nfs/dbraw/zinc/45/48/15/846454815.db2.gz URVBCPVOYBMHGT-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112197489 846454825 /nfs/dbraw/zinc/45/48/25/846454825.db2.gz URVBCPVOYBMHGT-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206145 846462515 /nfs/dbraw/zinc/46/25/15/846462515.db2.gz JHNOTZZJXXXUMT-VXGBXAGGSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001112359836 846497147 /nfs/dbraw/zinc/49/71/47/846497147.db2.gz NWPARTKBZPDPBJ-NTDBWNAOSA-N 2 1 353.507 0.554 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401612 846501382 /nfs/dbraw/zinc/50/13/82/846501382.db2.gz OECKPFFVPGNRBW-KXBFYZLASA-N 2 1 350.507 0.825 20 0 FCADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112428157 846503165 /nfs/dbraw/zinc/50/31/65/846503165.db2.gz COBUHIXSEPGETC-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112557762 846523064 /nfs/dbraw/zinc/52/30/64/846523064.db2.gz XRMDMNHFXONYTL-KXBFYZLASA-N 2 1 350.507 0.825 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578860 846529380 /nfs/dbraw/zinc/52/93/80/846529380.db2.gz KEYQAUIGBAAERU-JZXOWHBKSA-N 2 1 350.463 0.417 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304695 846549639 /nfs/dbraw/zinc/54/96/39/846549639.db2.gz WYBVZJCYBXVIFX-MTSZKFMLSA-N 2 1 371.547 0.586 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304695 846549652 /nfs/dbraw/zinc/54/96/52/846549652.db2.gz WYBVZJCYBXVIFX-MTSZKFMLSA-N 2 1 371.547 0.586 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114304695 846549656 /nfs/dbraw/zinc/54/96/56/846549656.db2.gz WYBVZJCYBXVIFX-MTSZKFMLSA-N 2 1 371.547 0.586 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114304695 846549666 /nfs/dbraw/zinc/54/96/66/846549666.db2.gz WYBVZJCYBXVIFX-MTSZKFMLSA-N 2 1 371.547 0.586 20 0 FCADMP C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958793 861703149 /nfs/dbraw/zinc/70/31/49/861703149.db2.gz APYUCGOELTTXLQ-HKUYNNGSSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958793 861703164 /nfs/dbraw/zinc/70/31/64/861703164.db2.gz APYUCGOELTTXLQ-HKUYNNGSSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958793 861703174 /nfs/dbraw/zinc/70/31/74/861703174.db2.gz APYUCGOELTTXLQ-HKUYNNGSSA-N 2 1 352.523 0.462 20 0 FCADMP COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001277137382 861778103 /nfs/dbraw/zinc/77/81/03/861778103.db2.gz VOEKLZQMWNWXRY-GOSISDBHSA-N 2 1 351.447 0.791 20 0 FCADMP COCc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001277137382 861778113 /nfs/dbraw/zinc/77/81/13/861778113.db2.gz VOEKLZQMWNWXRY-GOSISDBHSA-N 2 1 351.447 0.791 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](CC(N)=O)C3)CC2)CC1 ZINC001118377862 847404371 /nfs/dbraw/zinc/40/43/71/847404371.db2.gz FZTWMYUODLSPGV-HNNXBMFYSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC001119354387 847819731 /nfs/dbraw/zinc/81/97/31/847819731.db2.gz ICHQVDZTJZIUQA-KKUMJFAQSA-N 2 1 354.495 0.330 20 0 FCADMP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001120640071 848260395 /nfs/dbraw/zinc/26/03/95/848260395.db2.gz RHBBOCYIRABKAJ-ARFHVFGLSA-N 2 1 352.479 0.260 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001122005364 848432854 /nfs/dbraw/zinc/43/28/54/848432854.db2.gz YVORVUCZAIEXHR-JENIJYKNSA-N 2 1 350.507 0.431 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)Nc2nccs2)CC[N@H+]1C ZINC001127695456 848732281 /nfs/dbraw/zinc/73/22/81/848732281.db2.gz MNPDFROCXIBBEL-FRRDWIJNSA-N 2 1 353.492 0.906 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001127689933 848733045 /nfs/dbraw/zinc/73/30/45/848733045.db2.gz CMGXTZHGQBWAKO-CZUORRHYSA-N 2 1 350.438 0.488 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851427 848779825 /nfs/dbraw/zinc/77/98/25/848779825.db2.gz MMJDYKNXHPIKGP-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049038 848799336 /nfs/dbraw/zinc/79/93/36/848799336.db2.gz PENZSDBTRMGUOF-KFWWJZLASA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049038 848799341 /nfs/dbraw/zinc/79/93/41/848799341.db2.gz PENZSDBTRMGUOF-KFWWJZLASA-N 2 1 350.467 0.139 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049016 848799839 /nfs/dbraw/zinc/79/98/39/848799839.db2.gz OJLHOXOBESDRLB-KFWWJZLASA-N 2 1 352.458 0.852 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433852 848844264 /nfs/dbraw/zinc/84/42/64/848844264.db2.gz WDMDEWGHQNSBNW-OAGGEKHMSA-N 2 1 352.458 0.711 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433852 848844274 /nfs/dbraw/zinc/84/42/74/848844274.db2.gz WDMDEWGHQNSBNW-OAGGEKHMSA-N 2 1 352.458 0.711 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433852 848844278 /nfs/dbraw/zinc/84/42/78/848844278.db2.gz WDMDEWGHQNSBNW-OAGGEKHMSA-N 2 1 352.458 0.711 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718136 848886978 /nfs/dbraw/zinc/88/69/78/848886978.db2.gz YDRNHGCZODOBMZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718136 848886982 /nfs/dbraw/zinc/88/69/82/848886982.db2.gz YDRNHGCZODOBMZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129858162 848903371 /nfs/dbraw/zinc/90/33/71/848903371.db2.gz QOHUDCLEEFQCHA-UKGLEEDUSA-N 2 1 352.870 0.712 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919241 848915899 /nfs/dbraw/zinc/91/58/99/848915899.db2.gz RKJZTNZPQVRPAR-CABCVRRESA-N 2 1 352.483 0.386 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130086285 848942916 /nfs/dbraw/zinc/94/29/16/848942916.db2.gz UGOPKTCZWMMGGS-LMQVBRGUSA-N 2 1 352.870 0.714 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1 ZINC001130107165 848945801 /nfs/dbraw/zinc/94/58/01/848945801.db2.gz GTZURJHAALXWAP-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137122 848949929 /nfs/dbraw/zinc/94/99/29/848949929.db2.gz KCBBUEUOIZHRRZ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1)OC ZINC001130137064 848950050 /nfs/dbraw/zinc/95/00/50/848950050.db2.gz HJRFQHHGISSGHU-XHSDSOJGSA-N 2 1 352.483 0.385 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001130184237 848961395 /nfs/dbraw/zinc/96/13/95/848961395.db2.gz HRZAIVPJDQVZAG-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001130184237 848961398 /nfs/dbraw/zinc/96/13/98/848961398.db2.gz HRZAIVPJDQVZAG-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184457 848963159 /nfs/dbraw/zinc/96/31/59/848963159.db2.gz RGQIANDITOOYBY-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184457 848963166 /nfs/dbraw/zinc/96/31/66/848963166.db2.gz RGQIANDITOOYBY-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001130232643 848981867 /nfs/dbraw/zinc/98/18/67/848981867.db2.gz MCYFGEKXAQVJOR-STQMWFEESA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001130232643 848981877 /nfs/dbraw/zinc/98/18/77/848981877.db2.gz MCYFGEKXAQVJOR-STQMWFEESA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]2)O1 ZINC001130787198 849042451 /nfs/dbraw/zinc/04/24/51/849042451.db2.gz DQYUPJJKPVOGAZ-GUTXKFCHSA-N 2 1 352.483 0.837 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790383 849043819 /nfs/dbraw/zinc/04/38/19/849043819.db2.gz XPRPXUBUTRBVGG-GUTXKFCHSA-N 2 1 350.467 0.591 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130820587 849049525 /nfs/dbraw/zinc/04/95/25/849049525.db2.gz ZGICPSJMMDGZBZ-QWHCGFSZSA-N 2 1 356.446 0.540 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131132374 849083017 /nfs/dbraw/zinc/08/30/17/849083017.db2.gz HKBZUXJSOFZXDY-HZPDHXFCSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316563 849094737 /nfs/dbraw/zinc/09/47/37/849094737.db2.gz NEYOREKYZOXPQV-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316563 849094742 /nfs/dbraw/zinc/09/47/42/849094742.db2.gz NEYOREKYZOXPQV-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316563 849094747 /nfs/dbraw/zinc/09/47/47/849094747.db2.gz NEYOREKYZOXPQV-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131321137 849096610 /nfs/dbraw/zinc/09/66/10/849096610.db2.gz NYBIUUCTIVVPNP-XHSDSOJGSA-N 2 1 352.479 0.841 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131321137 849096612 /nfs/dbraw/zinc/09/66/12/849096612.db2.gz NYBIUUCTIVVPNP-XHSDSOJGSA-N 2 1 352.479 0.841 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131321137 849096615 /nfs/dbraw/zinc/09/66/15/849096615.db2.gz NYBIUUCTIVVPNP-XHSDSOJGSA-N 2 1 352.479 0.841 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131528117 849119509 /nfs/dbraw/zinc/11/95/09/849119509.db2.gz LUUPHXPDLVSSCD-AEFFLSMTSA-N 2 1 350.463 0.560 20 0 FCADMP CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149737919 849646908 /nfs/dbraw/zinc/64/69/08/849646908.db2.gz ADZXCAKDNBGZHP-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149737919 849646912 /nfs/dbraw/zinc/64/69/12/849646912.db2.gz ADZXCAKDNBGZHP-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001149737919 849646915 /nfs/dbraw/zinc/64/69/15/849646915.db2.gz ADZXCAKDNBGZHP-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001149737919 849646917 /nfs/dbraw/zinc/64/69/17/849646917.db2.gz ADZXCAKDNBGZHP-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3N)C2)OCC1=O ZINC001277765011 862059123 /nfs/dbraw/zinc/05/91/23/862059123.db2.gz SKZMHNKCVLJBGE-GOSISDBHSA-N 2 1 350.438 0.773 20 0 FCADMP O=c1cc(CNc2nc(Cl)nc3c2C[NH2+]CC3)nc2n1CCC[NH2+]C2 ZINC001155488114 849856243 /nfs/dbraw/zinc/85/62/43/849856243.db2.gz ZKPCCJBHCQLBRS-UHFFFAOYSA-N 2 1 361.837 0.438 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032914 850014539 /nfs/dbraw/zinc/01/45/39/850014539.db2.gz XXUZIDLLKWNEMF-PKOBYXMFSA-N 2 1 351.539 0.509 20 0 FCADMP [NH3+][C@@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC001158092008 850017784 /nfs/dbraw/zinc/01/77/84/850017784.db2.gz LCPJWYARPPUXIU-UKRRQHHQSA-N 2 1 367.247 0.139 20 0 FCADMP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124141 850019866 /nfs/dbraw/zinc/01/98/66/850019866.db2.gz IUSIEMZSYINMDA-WCXIOVBPSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124141 850019872 /nfs/dbraw/zinc/01/98/72/850019872.db2.gz IUSIEMZSYINMDA-WCXIOVBPSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124141 850019881 /nfs/dbraw/zinc/01/98/81/850019881.db2.gz IUSIEMZSYINMDA-WCXIOVBPSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@@H](O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124141 850019884 /nfs/dbraw/zinc/01/98/84/850019884.db2.gz IUSIEMZSYINMDA-WCXIOVBPSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@@H](O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124141 850019889 /nfs/dbraw/zinc/01/98/89/850019889.db2.gz IUSIEMZSYINMDA-WCXIOVBPSA-N 2 1 357.495 0.026 20 0 FCADMP O=C(c1nnn2c1C[NH2+]CC2)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158262002 850030429 /nfs/dbraw/zinc/03/04/29/850030429.db2.gz PLTOCCRLPMKYEU-NSHDSACASA-N 2 1 358.368 0.670 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(=O)c(OC)co2)CC[N@H+]1C ZINC001158411614 850047720 /nfs/dbraw/zinc/04/77/20/850047720.db2.gz IVWNABOEMSDIHB-LSDHHAIUSA-N 2 1 351.447 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001158403543 850048086 /nfs/dbraw/zinc/04/80/86/850048086.db2.gz JNHKMKSOOQMOSA-HRCADAONSA-N 2 1 359.536 0.637 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnc([C@@H](C)[NH3+])s3)CC[C@@H]2C1 ZINC001159635326 850126206 /nfs/dbraw/zinc/12/62/06/850126206.db2.gz LIXHSSQMBOPRLG-MGPQQGTHSA-N 2 1 368.503 0.972 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3cnc([C@@H](C)[NH3+])s3)CC[C@@H]2C1 ZINC001159635326 850126212 /nfs/dbraw/zinc/12/62/12/850126212.db2.gz LIXHSSQMBOPRLG-MGPQQGTHSA-N 2 1 368.503 0.972 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834934 850139222 /nfs/dbraw/zinc/13/92/22/850139222.db2.gz WUHBQMZEWMRRGS-MELADBBJSA-N 3 1 369.560 0.585 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834934 850139226 /nfs/dbraw/zinc/13/92/26/850139226.db2.gz WUHBQMZEWMRRGS-MELADBBJSA-N 2 1 369.560 0.585 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834268 850139350 /nfs/dbraw/zinc/13/93/50/850139350.db2.gz UNSPJDAMNIGGQN-ZNMIVQPWSA-N 2 1 350.488 0.944 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834273 850139458 /nfs/dbraw/zinc/13/94/58/850139458.db2.gz UODOINIOFYUXRN-ZBFHGGJFSA-N 2 1 363.531 0.908 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](C[C@H]3CCOC3)CC2)O1 ZINC001160466190 850173864 /nfs/dbraw/zinc/17/38/64/850173864.db2.gz CKWCHLMBXHLVPI-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](C[C@H]3CCOC3)CC2)O1 ZINC001160466190 850173868 /nfs/dbraw/zinc/17/38/68/850173868.db2.gz CKWCHLMBXHLVPI-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](C[C@H]3CCOC3)CC2)O1 ZINC001160466190 850173874 /nfs/dbraw/zinc/17/38/74/850173874.db2.gz CKWCHLMBXHLVPI-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](C[C@H]3CCOC3)CC2)O1 ZINC001160466190 850173877 /nfs/dbraw/zinc/17/38/77/850173877.db2.gz CKWCHLMBXHLVPI-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705396 850193930 /nfs/dbraw/zinc/19/39/30/850193930.db2.gz XJFABOHRWQUSOJ-QMHWVQJVSA-N 2 1 370.563 0.618 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ncnn2C(C)(C)C)O1 ZINC001160862248 850209167 /nfs/dbraw/zinc/20/91/67/850209167.db2.gz JKRFDZICTMBKCY-ZIAGYGMSSA-N 2 1 352.483 0.348 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ncnn2C(C)(C)C)O1 ZINC001160862248 850209173 /nfs/dbraw/zinc/20/91/73/850209173.db2.gz JKRFDZICTMBKCY-ZIAGYGMSSA-N 2 1 352.483 0.348 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001161082030 850227479 /nfs/dbraw/zinc/22/74/79/850227479.db2.gz NHIDPCLGQKKFIR-RWMBFGLXSA-N 2 1 364.412 0.715 20 0 FCADMP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424124 850257861 /nfs/dbraw/zinc/25/78/61/850257861.db2.gz ZGPILHACCUQFAB-ILXRZTDVSA-N 2 1 352.479 0.036 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001161884264 850288142 /nfs/dbraw/zinc/28/81/42/850288142.db2.gz MTYOFIVSGDHUJI-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813653 862116097 /nfs/dbraw/zinc/11/60/97/862116097.db2.gz QZFTUNRONOZSLF-GOSISDBHSA-N 2 1 353.507 0.794 20 0 FCADMP CS(=O)(=O)N1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167968359 850566607 /nfs/dbraw/zinc/56/66/07/850566607.db2.gz RBGDGMUFCVPKMG-AYHJJNSGSA-N 2 1 370.563 0.559 20 0 FCADMP Cc1nc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170271037 850648977 /nfs/dbraw/zinc/64/89/77/850648977.db2.gz SANDYEWHWJVJRO-CPUCHLNUSA-N 2 1 351.451 0.758 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487254 850686796 /nfs/dbraw/zinc/68/67/96/850686796.db2.gz RWCYDKSAGUAIIC-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487254 850686801 /nfs/dbraw/zinc/68/68/01/850686801.db2.gz RWCYDKSAGUAIIC-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001172688049 850712846 /nfs/dbraw/zinc/71/28/46/850712846.db2.gz HTMSUJRAGBARKY-UPJWGTAASA-N 2 1 359.467 0.615 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731374 850920982 /nfs/dbraw/zinc/92/09/82/850920982.db2.gz TXLDIRXLWGESKD-WTTBNOFXSA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178735858 850922085 /nfs/dbraw/zinc/92/20/85/850922085.db2.gz GLLDAZJZQRFJBP-QSPRXWTASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCCNC2=O)O1 ZINC001178810632 850932834 /nfs/dbraw/zinc/93/28/34/850932834.db2.gz JLUURSDUETXQHH-OWCLPIDISA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCCNC2=O)O1 ZINC001178810632 850932841 /nfs/dbraw/zinc/93/28/41/850932841.db2.gz JLUURSDUETXQHH-OWCLPIDISA-N 2 1 354.495 0.250 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001181516872 851116675 /nfs/dbraw/zinc/11/66/75/851116675.db2.gz BMCDZQDHTCQJIA-SFNKJDCFSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001181524993 851118116 /nfs/dbraw/zinc/11/81/16/851118116.db2.gz ADMCDMGLYOKWQO-YKTARERQSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ccon1 ZINC001181873698 851138711 /nfs/dbraw/zinc/13/87/11/851138711.db2.gz FRURUQPGUZRRHY-GZOSKZMVSA-N 2 1 350.463 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ccon1 ZINC001181873698 851138719 /nfs/dbraw/zinc/13/87/19/851138719.db2.gz FRURUQPGUZRRHY-GZOSKZMVSA-N 2 1 350.463 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnns1 ZINC001181884174 851139109 /nfs/dbraw/zinc/13/91/09/851139109.db2.gz CLGSOHJTBBCQDX-GKLJAUDBSA-N 2 1 367.519 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnns1 ZINC001181884174 851139115 /nfs/dbraw/zinc/13/91/15/851139115.db2.gz CLGSOHJTBBCQDX-GKLJAUDBSA-N 2 1 367.519 0.831 20 0 FCADMP C[N@@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182036361 851147105 /nfs/dbraw/zinc/14/71/05/851147105.db2.gz RFJJKGBXPBKRSO-UHFFFAOYSA-N 2 1 358.483 0.016 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)C2)CC[N@H+]1C ZINC001182684002 851191627 /nfs/dbraw/zinc/19/16/27/851191627.db2.gz IUJNJLQDLCTPQG-IIAWOOMASA-N 2 1 364.515 0.895 20 0 FCADMP CC(=O)N/C(=C\c1cc(F)ccc1F)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185734685 851385111 /nfs/dbraw/zinc/38/51/11/851385111.db2.gz RFNYQGVWYYTRKC-ZROIWOOFSA-N 2 1 353.373 0.903 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001186107847 851413072 /nfs/dbraw/zinc/41/30/72/851413072.db2.gz XZCPBFTZDBOJDO-HNNXBMFYSA-N 2 1 353.463 0.195 20 0 FCADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410000 851430519 /nfs/dbraw/zinc/43/05/19/851430519.db2.gz KINGOJWSYGJULJ-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410000 851430524 /nfs/dbraw/zinc/43/05/24/851430524.db2.gz KINGOJWSYGJULJ-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP COCOCCC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278203977 862252116 /nfs/dbraw/zinc/25/21/16/862252116.db2.gz JIRISRPDWFACRH-GOSISDBHSA-N 2 1 356.511 0.215 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857120 851615510 /nfs/dbraw/zinc/61/55/10/851615510.db2.gz JHORVLZGWIEAPZ-YESZJQIVSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857120 851615522 /nfs/dbraw/zinc/61/55/22/851615522.db2.gz JHORVLZGWIEAPZ-YESZJQIVSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857120 851615535 /nfs/dbraw/zinc/61/55/35/851615535.db2.gz JHORVLZGWIEAPZ-YESZJQIVSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857120 851615540 /nfs/dbraw/zinc/61/55/40/851615540.db2.gz JHORVLZGWIEAPZ-YESZJQIVSA-N 2 1 350.507 0.917 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963832 851738202 /nfs/dbraw/zinc/73/82/02/851738202.db2.gz SPDGBZGUCFZGEK-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963832 851738210 /nfs/dbraw/zinc/73/82/10/851738210.db2.gz SPDGBZGUCFZGEK-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026915 851744432 /nfs/dbraw/zinc/74/44/32/851744432.db2.gz VCSHKOHMGCSCBU-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026915 851744435 /nfs/dbraw/zinc/74/44/35/851744435.db2.gz VCSHKOHMGCSCBU-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001189041191 851745627 /nfs/dbraw/zinc/74/56/27/851745627.db2.gz OCMQPHVFSMUCQB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001189041191 851745629 /nfs/dbraw/zinc/74/56/29/851745629.db2.gz OCMQPHVFSMUCQB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189055187 851746642 /nfs/dbraw/zinc/74/66/42/851746642.db2.gz OPSNSZBTQAUACJ-LSDHHAIUSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189055187 851746644 /nfs/dbraw/zinc/74/66/44/851746644.db2.gz OPSNSZBTQAUACJ-LSDHHAIUSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424825 851789457 /nfs/dbraw/zinc/78/94/57/851789457.db2.gz DULDOWVEILGJIK-ZWKOTPCHSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424825 851789468 /nfs/dbraw/zinc/78/94/68/851789468.db2.gz DULDOWVEILGJIK-ZWKOTPCHSA-N 2 1 353.507 0.914 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612132 851808477 /nfs/dbraw/zinc/80/84/77/851808477.db2.gz GDMNPKZGDRAPST-RCCFBDPRSA-N 2 1 353.507 0.647 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660448 851813138 /nfs/dbraw/zinc/81/31/38/851813138.db2.gz PYEXGJXIFOZQIV-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660448 851813145 /nfs/dbraw/zinc/81/31/45/851813145.db2.gz PYEXGJXIFOZQIV-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660448 851813154 /nfs/dbraw/zinc/81/31/54/851813154.db2.gz PYEXGJXIFOZQIV-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660448 851813162 /nfs/dbraw/zinc/81/31/62/851813162.db2.gz PYEXGJXIFOZQIV-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794083 851824536 /nfs/dbraw/zinc/82/45/36/851824536.db2.gz NGTQCIHZIJRJSN-DOTOQJQBSA-N 2 1 350.463 0.902 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787047 851825431 /nfs/dbraw/zinc/82/54/31/851825431.db2.gz LMMMWRCJBXBYFN-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787047 851825435 /nfs/dbraw/zinc/82/54/35/851825435.db2.gz LMMMWRCJBXBYFN-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787047 851825439 /nfs/dbraw/zinc/82/54/39/851825439.db2.gz LMMMWRCJBXBYFN-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001189801242 851825508 /nfs/dbraw/zinc/82/55/08/851825508.db2.gz CFGADXLUWNNSGS-WMLDXEAASA-N 2 1 350.438 0.832 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001189801242 851825511 /nfs/dbraw/zinc/82/55/11/851825511.db2.gz CFGADXLUWNNSGS-WMLDXEAASA-N 2 1 350.438 0.832 20 0 FCADMP O=C(N1CC[C@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189802058 851826121 /nfs/dbraw/zinc/82/61/21/851826121.db2.gz QCXLWMIMHSPRGT-BFHYXJOUSA-N 2 1 361.408 0.928 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820123 851828280 /nfs/dbraw/zinc/82/82/80/851828280.db2.gz QMCRAPLFGIGEFO-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189872200 851834021 /nfs/dbraw/zinc/83/40/21/851834021.db2.gz UQUUCTYMIQUNCH-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189872200 851834025 /nfs/dbraw/zinc/83/40/25/851834025.db2.gz UQUUCTYMIQUNCH-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001189890515 851837085 /nfs/dbraw/zinc/83/70/85/851837085.db2.gz FOMHHQTVAYGJBG-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001189890515 851837090 /nfs/dbraw/zinc/83/70/90/851837090.db2.gz FOMHHQTVAYGJBG-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898290 851839493 /nfs/dbraw/zinc/83/94/93/851839493.db2.gz JVKAAJRYEVBFRT-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898290 851839503 /nfs/dbraw/zinc/83/95/03/851839503.db2.gz JVKAAJRYEVBFRT-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898290 851839518 /nfs/dbraw/zinc/83/95/18/851839518.db2.gz JVKAAJRYEVBFRT-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189898290 851839528 /nfs/dbraw/zinc/83/95/28/851839528.db2.gz JVKAAJRYEVBFRT-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149067 851866960 /nfs/dbraw/zinc/86/69/60/851866960.db2.gz QEHMISMQUOKKED-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149067 851866965 /nfs/dbraw/zinc/86/69/65/851866965.db2.gz QEHMISMQUOKKED-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149067 851866973 /nfs/dbraw/zinc/86/69/73/851866973.db2.gz QEHMISMQUOKKED-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149067 851866978 /nfs/dbraw/zinc/86/69/78/851866978.db2.gz QEHMISMQUOKKED-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177957 851870747 /nfs/dbraw/zinc/87/07/47/851870747.db2.gz RZTGQPCXTOJFFH-OKZBNKHCSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177957 851870748 /nfs/dbraw/zinc/87/07/48/851870748.db2.gz RZTGQPCXTOJFFH-OKZBNKHCSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001190237455 851881026 /nfs/dbraw/zinc/88/10/26/851881026.db2.gz CHGSFCMFARUWTP-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001190237455 851881027 /nfs/dbraw/zinc/88/10/27/851881027.db2.gz CHGSFCMFARUWTP-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001190237455 851881034 /nfs/dbraw/zinc/88/10/34/851881034.db2.gz CHGSFCMFARUWTP-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001190237455 851881039 /nfs/dbraw/zinc/88/10/39/851881039.db2.gz CHGSFCMFARUWTP-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001190237455 851881044 /nfs/dbraw/zinc/88/10/44/851881044.db2.gz CHGSFCMFARUWTP-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCOCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237416 851881119 /nfs/dbraw/zinc/88/11/19/851881119.db2.gz BNVUXPLINBARCQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237416 851881122 /nfs/dbraw/zinc/88/11/22/851881122.db2.gz BNVUXPLINBARCQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237416 851881124 /nfs/dbraw/zinc/88/11/24/851881124.db2.gz BNVUXPLINBARCQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237416 851881128 /nfs/dbraw/zinc/88/11/28/851881128.db2.gz BNVUXPLINBARCQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237416 851881130 /nfs/dbraw/zinc/88/11/30/851881130.db2.gz BNVUXPLINBARCQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371414 851898971 /nfs/dbraw/zinc/89/89/71/851898971.db2.gz UNJVDSSDVYJAIC-JKSUJKDBSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371414 851898977 /nfs/dbraw/zinc/89/89/77/851898977.db2.gz UNJVDSSDVYJAIC-JKSUJKDBSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190371414 851898985 /nfs/dbraw/zinc/89/89/85/851898985.db2.gz UNJVDSSDVYJAIC-JKSUJKDBSA-N 2 1 353.511 0.567 20 0 FCADMP CCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278430964 862326194 /nfs/dbraw/zinc/32/61/94/862326194.db2.gz PXFFOESQUCZNOL-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192978146 852328319 /nfs/dbraw/zinc/32/83/19/852328319.db2.gz SAMPNVITJMKVGC-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192978146 852328329 /nfs/dbraw/zinc/32/83/29/852328329.db2.gz SAMPNVITJMKVGC-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@H]2O)n1 ZINC001193066752 852349385 /nfs/dbraw/zinc/34/93/85/852349385.db2.gz HCKMINVAYZLZJY-HZPDHXFCSA-N 2 1 355.458 0.359 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1O ZINC001193103077 852354846 /nfs/dbraw/zinc/35/48/46/852354846.db2.gz SPBFAMOAECVVEB-BZUAXINKSA-N 2 1 352.479 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1O ZINC001193103077 852354856 /nfs/dbraw/zinc/35/48/56/852354856.db2.gz SPBFAMOAECVVEB-BZUAXINKSA-N 2 1 352.479 0.985 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727344 852476541 /nfs/dbraw/zinc/47/65/41/852476541.db2.gz JKNBLJXVIJGGHN-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727344 852476553 /nfs/dbraw/zinc/47/65/53/852476553.db2.gz JKNBLJXVIJGGHN-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727344 852476565 /nfs/dbraw/zinc/47/65/65/852476565.db2.gz JKNBLJXVIJGGHN-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001193727344 852476576 /nfs/dbraw/zinc/47/65/76/852476576.db2.gz JKNBLJXVIJGGHN-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244845 852563937 /nfs/dbraw/zinc/56/39/37/852563937.db2.gz YXKNOQWJLPKDJA-IJLUTSLNSA-N 2 1 355.401 0.191 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244845 852563943 /nfs/dbraw/zinc/56/39/43/852563943.db2.gz YXKNOQWJLPKDJA-IJLUTSLNSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244845 852563946 /nfs/dbraw/zinc/56/39/46/852563946.db2.gz YXKNOQWJLPKDJA-IJLUTSLNSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244845 852563954 /nfs/dbraw/zinc/56/39/54/852563954.db2.gz YXKNOQWJLPKDJA-IJLUTSLNSA-N 2 1 355.401 0.191 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)cn1 ZINC001194244601 852564351 /nfs/dbraw/zinc/56/43/51/852564351.db2.gz SKAYKAKQMUFJHY-HZPDHXFCSA-N 2 1 351.495 0.337 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)cn1 ZINC001194244601 852564352 /nfs/dbraw/zinc/56/43/52/852564352.db2.gz SKAYKAKQMUFJHY-HZPDHXFCSA-N 2 1 351.495 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)cn1 ZINC001194244601 852564362 /nfs/dbraw/zinc/56/43/62/852564362.db2.gz SKAYKAKQMUFJHY-HZPDHXFCSA-N 2 1 351.495 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)cn1 ZINC001194244601 852564371 /nfs/dbraw/zinc/56/43/71/852564371.db2.gz SKAYKAKQMUFJHY-HZPDHXFCSA-N 2 1 351.495 0.337 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001194400022 852592521 /nfs/dbraw/zinc/59/25/21/852592521.db2.gz YSBHTQQKNBASOV-BRWVUGGUSA-N 2 1 351.491 0.591 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)CCCC1 ZINC001195006517 852691943 /nfs/dbraw/zinc/69/19/43/852691943.db2.gz KKVQVLSDBKXZMP-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)CCCC1 ZINC001195006682 852692095 /nfs/dbraw/zinc/69/20/95/852692095.db2.gz MTHIDVGBDJSPSL-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549238 852782838 /nfs/dbraw/zinc/78/28/38/852782838.db2.gz UXJZHUMKFOCCFL-RBSFLKMASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549238 852782846 /nfs/dbraw/zinc/78/28/46/852782846.db2.gz UXJZHUMKFOCCFL-RBSFLKMASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549238 852782852 /nfs/dbraw/zinc/78/28/52/852782852.db2.gz UXJZHUMKFOCCFL-RBSFLKMASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549238 852782859 /nfs/dbraw/zinc/78/28/59/852782859.db2.gz UXJZHUMKFOCCFL-RBSFLKMASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549239 852782990 /nfs/dbraw/zinc/78/29/90/852782990.db2.gz UXJZHUMKFOCCFL-RRFJBIMHSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549239 852782999 /nfs/dbraw/zinc/78/29/99/852782999.db2.gz UXJZHUMKFOCCFL-RRFJBIMHSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549239 852783007 /nfs/dbraw/zinc/78/30/07/852783007.db2.gz UXJZHUMKFOCCFL-RRFJBIMHSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001195549239 852783011 /nfs/dbraw/zinc/78/30/11/852783011.db2.gz UXJZHUMKFOCCFL-RRFJBIMHSA-N 2 1 363.449 0.551 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001195677573 852811813 /nfs/dbraw/zinc/81/18/13/852811813.db2.gz STUXVEBMCHSTBA-IAGOWNOFSA-N 2 1 353.507 0.696 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197050109 853052752 /nfs/dbraw/zinc/05/27/52/853052752.db2.gz WUGKSZATPVFXOS-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197050109 853052754 /nfs/dbraw/zinc/05/27/54/853052754.db2.gz WUGKSZATPVFXOS-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)CC1 ZINC001197319344 853097357 /nfs/dbraw/zinc/09/73/57/853097357.db2.gz ANBAKKDUWHWTCN-HZPDHXFCSA-N 2 1 353.488 0.520 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)CC1 ZINC001197319344 853097364 /nfs/dbraw/zinc/09/73/64/853097364.db2.gz ANBAKKDUWHWTCN-HZPDHXFCSA-N 2 1 353.488 0.520 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2O)CC1 ZINC001197320075 853099403 /nfs/dbraw/zinc/09/94/03/853099403.db2.gz VDEPFBYOWWTWHK-QZTJIDSGSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197493520 853123385 /nfs/dbraw/zinc/12/33/85/853123385.db2.gz QOLJKTAZQVEVKE-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197493520 853123389 /nfs/dbraw/zinc/12/33/89/853123389.db2.gz QOLJKTAZQVEVKE-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197493520 853123391 /nfs/dbraw/zinc/12/33/91/853123391.db2.gz QOLJKTAZQVEVKE-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197493520 853123395 /nfs/dbraw/zinc/12/33/95/853123395.db2.gz QOLJKTAZQVEVKE-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001198729117 853307661 /nfs/dbraw/zinc/30/76/61/853307661.db2.gz AHXQQGUIOYLKJD-KZNAEPCWSA-N 2 1 353.507 0.983 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729192 853307768 /nfs/dbraw/zinc/30/77/68/853307768.db2.gz GRSJXZDPDZAXDE-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199017734 853355267 /nfs/dbraw/zinc/35/52/67/853355267.db2.gz LHTCZAFZNASGEM-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001199023545 853356676 /nfs/dbraw/zinc/35/66/76/853356676.db2.gz MCMTXUVXXGCGTF-MGPQQGTHSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001199023545 853356686 /nfs/dbraw/zinc/35/66/86/853356686.db2.gz MCMTXUVXXGCGTF-MGPQQGTHSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001199057268 853361502 /nfs/dbraw/zinc/36/15/02/853361502.db2.gz FUNKJSLFLUDCRK-RCCFBDPRSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001199071021 853363501 /nfs/dbraw/zinc/36/35/01/853363501.db2.gz DBNYDJKGRDUQNO-BFHYXJOUSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001199071021 853363504 /nfs/dbraw/zinc/36/35/04/853363504.db2.gz DBNYDJKGRDUQNO-BFHYXJOUSA-N 2 1 367.412 0.337 20 0 FCADMP CC[NH+](CC)C[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CCO1 ZINC001199947784 853467083 /nfs/dbraw/zinc/46/70/83/853467083.db2.gz PZUBEPHTJBAXOF-MRXNPFEDSA-N 2 1 358.552 0.626 20 0 FCADMP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635789 853506373 /nfs/dbraw/zinc/50/63/73/853506373.db2.gz DCRNQLPGTXCJDB-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001200651684 853506998 /nfs/dbraw/zinc/50/69/98/853506998.db2.gz HNGFSKDOZCKXBN-RRQGHBQHSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200643427 853507194 /nfs/dbraw/zinc/50/71/94/853507194.db2.gz CKSSDXRKPMMAMF-BPQIPLTHSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001200651802 853507412 /nfs/dbraw/zinc/50/74/12/853507412.db2.gz MPENIUSLPKXEKX-JKSUJKDBSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786845 853511223 /nfs/dbraw/zinc/51/12/23/853511223.db2.gz JVFOSGBCCZMKFS-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786845 853511232 /nfs/dbraw/zinc/51/12/32/853511232.db2.gz JVFOSGBCCZMKFS-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001205334455 853603842 /nfs/dbraw/zinc/60/38/42/853603842.db2.gz NLNQFKIZGFUFCL-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205519463 853620318 /nfs/dbraw/zinc/62/03/18/853620318.db2.gz OOBQSVLDXDWTCL-YESZJQIVSA-N 2 1 353.507 0.647 20 0 FCADMP COCCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OCCOC ZINC001206480641 853693010 /nfs/dbraw/zinc/69/30/10/853693010.db2.gz GPAVPLWBEYZJCR-JKSUJKDBSA-N 2 1 354.447 0.488 20 0 FCADMP COCCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OCCOC ZINC001206480641 853693014 /nfs/dbraw/zinc/69/30/14/853693014.db2.gz GPAVPLWBEYZJCR-JKSUJKDBSA-N 2 1 354.447 0.488 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001207231253 853793182 /nfs/dbraw/zinc/79/31/82/853793182.db2.gz HZLPWODCETWYGP-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001207231253 853793186 /nfs/dbraw/zinc/79/31/86/853793186.db2.gz HZLPWODCETWYGP-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001207396706 853808858 /nfs/dbraw/zinc/80/88/58/853808858.db2.gz QZTNVVSLOMLPIC-LJQANCHMSA-N 2 1 352.523 0.489 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001207396388 853809149 /nfs/dbraw/zinc/80/91/49/853809149.db2.gz HELBGPGSKFCCAD-IBGZPJMESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207547112 853824110 /nfs/dbraw/zinc/82/41/10/853824110.db2.gz LNRYPFZVWQKMPM-MZMPZRCHSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207547112 853824116 /nfs/dbraw/zinc/82/41/16/853824116.db2.gz LNRYPFZVWQKMPM-MZMPZRCHSA-N 2 1 350.507 0.679 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001207758010 853855366 /nfs/dbraw/zinc/85/53/66/853855366.db2.gz ROSVDNHGXDMDEV-BZUAXINKSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001207758010 853855370 /nfs/dbraw/zinc/85/53/70/853855370.db2.gz ROSVDNHGXDMDEV-BZUAXINKSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001207758010 853855378 /nfs/dbraw/zinc/85/53/78/853855378.db2.gz ROSVDNHGXDMDEV-BZUAXINKSA-N 2 1 359.511 0.177 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001207757676 853855671 /nfs/dbraw/zinc/85/56/71/853855671.db2.gz JFLHLNSYIJZWLA-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001207757676 853855673 /nfs/dbraw/zinc/85/56/73/853855673.db2.gz JFLHLNSYIJZWLA-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001207757676 853855675 /nfs/dbraw/zinc/85/56/75/853855675.db2.gz JFLHLNSYIJZWLA-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001207757676 853855677 /nfs/dbraw/zinc/85/56/77/853855677.db2.gz JFLHLNSYIJZWLA-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207862183 853864695 /nfs/dbraw/zinc/86/46/95/853864695.db2.gz ALRNVSBYBKTGQW-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207862183 853864702 /nfs/dbraw/zinc/86/47/02/853864702.db2.gz ALRNVSBYBKTGQW-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCN1CC[NH+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001208092387 853894794 /nfs/dbraw/zinc/89/47/94/853894794.db2.gz FYGHVEGSURSPKN-INIZCTEOSA-N 2 1 356.511 0.802 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163498 853902041 /nfs/dbraw/zinc/90/20/41/853902041.db2.gz HVLYGWOWZXTHIA-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411223 853929701 /nfs/dbraw/zinc/92/97/01/853929701.db2.gz PEGZTRCEHOVYNN-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411223 853929707 /nfs/dbraw/zinc/92/97/07/853929707.db2.gz PEGZTRCEHOVYNN-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425535 853932268 /nfs/dbraw/zinc/93/22/68/853932268.db2.gz MPHRRCKHTJYBOL-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425535 853932271 /nfs/dbraw/zinc/93/22/71/853932271.db2.gz MPHRRCKHTJYBOL-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434771 853933810 /nfs/dbraw/zinc/93/38/10/853933810.db2.gz BBBODYLLVWKZFT-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434771 853933813 /nfs/dbraw/zinc/93/38/13/853933813.db2.gz BBBODYLLVWKZFT-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485165 853940593 /nfs/dbraw/zinc/94/05/93/853940593.db2.gz HBOCWMUAYQDUCU-RHSMWYFYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485165 853940599 /nfs/dbraw/zinc/94/05/99/853940599.db2.gz HBOCWMUAYQDUCU-RHSMWYFYSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485804 853941035 /nfs/dbraw/zinc/94/10/35/853941035.db2.gz RMIODCMLPMMXGX-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485804 853941039 /nfs/dbraw/zinc/94/10/39/853941039.db2.gz RMIODCMLPMMXGX-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496566 853943664 /nfs/dbraw/zinc/94/36/64/853943664.db2.gz ZYNFYGVCWIJUQL-GDBMZVCRSA-N 2 1 350.463 0.626 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496566 853943669 /nfs/dbraw/zinc/94/36/69/853943669.db2.gz ZYNFYGVCWIJUQL-GDBMZVCRSA-N 2 1 350.463 0.626 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613586 853960646 /nfs/dbraw/zinc/96/06/46/853960646.db2.gz OLMHSDMBYCLXGE-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613586 853960650 /nfs/dbraw/zinc/96/06/50/853960650.db2.gz OLMHSDMBYCLXGE-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208613586 853960656 /nfs/dbraw/zinc/96/06/56/853960656.db2.gz OLMHSDMBYCLXGE-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208613586 853960660 /nfs/dbraw/zinc/96/06/60/853960660.db2.gz OLMHSDMBYCLXGE-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC1CCN(C(C)=O)CC1)CC2 ZINC001208675723 853965786 /nfs/dbraw/zinc/96/57/86/853965786.db2.gz OUWDQUXAHZVPQO-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC1CCN(C(C)=O)CC1)CC2 ZINC001208675723 853965791 /nfs/dbraw/zinc/96/57/91/853965791.db2.gz OUWDQUXAHZVPQO-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209505871 854032739 /nfs/dbraw/zinc/03/27/39/854032739.db2.gz AMNAVZBDBFWRHO-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209505871 854032746 /nfs/dbraw/zinc/03/27/46/854032746.db2.gz AMNAVZBDBFWRHO-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514785 854034350 /nfs/dbraw/zinc/03/43/50/854034350.db2.gz OSOTYXNZMQSHMQ-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514785 854034355 /nfs/dbraw/zinc/03/43/55/854034355.db2.gz OSOTYXNZMQSHMQ-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001209649663 854043983 /nfs/dbraw/zinc/04/39/83/854043983.db2.gz WGHRUKINPOLIKQ-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001209649663 854043991 /nfs/dbraw/zinc/04/39/91/854043991.db2.gz WGHRUKINPOLIKQ-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836674 854058134 /nfs/dbraw/zinc/05/81/34/854058134.db2.gz OZDZQIJGSDYNOT-NVXWUHKLSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210297132 854097185 /nfs/dbraw/zinc/09/71/85/854097185.db2.gz BAZFQXLATZEDTI-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210297132 854097188 /nfs/dbraw/zinc/09/71/88/854097188.db2.gz BAZFQXLATZEDTI-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210297132 854097192 /nfs/dbraw/zinc/09/71/92/854097192.db2.gz BAZFQXLATZEDTI-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210297132 854097197 /nfs/dbraw/zinc/09/71/97/854097197.db2.gz BAZFQXLATZEDTI-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297382 854097759 /nfs/dbraw/zinc/09/77/59/854097759.db2.gz FBMHEZANQKJQJX-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297384 854097783 /nfs/dbraw/zinc/09/77/83/854097783.db2.gz FBMHEZANQKJQJX-IXDOHACOSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298733 854098393 /nfs/dbraw/zinc/09/83/93/854098393.db2.gz RZFAECYVTJJSMM-QLFBSQMISA-N 2 1 356.511 0.304 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298733 854098395 /nfs/dbraw/zinc/09/83/95/854098395.db2.gz RZFAECYVTJJSMM-QLFBSQMISA-N 2 1 356.511 0.304 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001210486452 854114025 /nfs/dbraw/zinc/11/40/25/854114025.db2.gz WIFUYENLLPKUEC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001210486452 854114026 /nfs/dbraw/zinc/11/40/26/854114026.db2.gz WIFUYENLLPKUEC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001210486452 854114027 /nfs/dbraw/zinc/11/40/27/854114027.db2.gz WIFUYENLLPKUEC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001210486452 854114030 /nfs/dbraw/zinc/11/40/30/854114030.db2.gz WIFUYENLLPKUEC-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026259 854147342 /nfs/dbraw/zinc/14/73/42/854147342.db2.gz XUJAERJDXIQUDE-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211026259 854147350 /nfs/dbraw/zinc/14/73/50/854147350.db2.gz XUJAERJDXIQUDE-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211026259 854147359 /nfs/dbraw/zinc/14/73/59/854147359.db2.gz XUJAERJDXIQUDE-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326362 854177011 /nfs/dbraw/zinc/17/70/11/854177011.db2.gz LEQMCKLZZLHYNT-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326362 854177014 /nfs/dbraw/zinc/17/70/14/854177014.db2.gz LEQMCKLZZLHYNT-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343728 854179234 /nfs/dbraw/zinc/17/92/34/854179234.db2.gz JCVAHJPSBSEHTQ-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343728 854179240 /nfs/dbraw/zinc/17/92/40/854179240.db2.gz JCVAHJPSBSEHTQ-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212026397 854336829 /nfs/dbraw/zinc/33/68/29/854336829.db2.gz KYESWPNQEVTUMF-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212026397 854336837 /nfs/dbraw/zinc/33/68/37/854336837.db2.gz KYESWPNQEVTUMF-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001212026397 854336844 /nfs/dbraw/zinc/33/68/44/854336844.db2.gz KYESWPNQEVTUMF-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212026397 854336850 /nfs/dbraw/zinc/33/68/50/854336850.db2.gz KYESWPNQEVTUMF-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495316 854501617 /nfs/dbraw/zinc/50/16/17/854501617.db2.gz BTXRSXNGFYXWRB-USXIJHARSA-N 2 1 350.463 0.758 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342218 854582191 /nfs/dbraw/zinc/58/21/91/854582191.db2.gz MJQCDYCYZPCBIZ-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342218 854582201 /nfs/dbraw/zinc/58/22/01/854582201.db2.gz MJQCDYCYZPCBIZ-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374475 854592880 /nfs/dbraw/zinc/59/28/80/854592880.db2.gz IPABMAJKXJPZRJ-NVXWUHKLSA-N 2 1 353.438 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374475 854592888 /nfs/dbraw/zinc/59/28/88/854592888.db2.gz IPABMAJKXJPZRJ-NVXWUHKLSA-N 2 1 353.438 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374760 854593873 /nfs/dbraw/zinc/59/38/73/854593873.db2.gz WIKAPGJPIQEQGD-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374760 854593878 /nfs/dbraw/zinc/59/38/78/854593878.db2.gz WIKAPGJPIQEQGD-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576709 854672063 /nfs/dbraw/zinc/67/20/63/854672063.db2.gz UCBFSUYZMBLONB-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576709 854672076 /nfs/dbraw/zinc/67/20/76/854672076.db2.gz UCBFSUYZMBLONB-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704923 854727161 /nfs/dbraw/zinc/72/71/61/854727161.db2.gz WJTUUCPWRZYBDW-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213744707 854748136 /nfs/dbraw/zinc/74/81/36/854748136.db2.gz FRMXYPUZOKQMGM-OWCLPIDISA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213744707 854748140 /nfs/dbraw/zinc/74/81/40/854748140.db2.gz FRMXYPUZOKQMGM-OWCLPIDISA-N 2 1 356.511 0.578 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930042 854830935 /nfs/dbraw/zinc/83/09/35/854830935.db2.gz WUCKJIVRYLSBLC-GVDBMIGSSA-N 2 1 359.511 0.176 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930042 854830947 /nfs/dbraw/zinc/83/09/47/854830947.db2.gz WUCKJIVRYLSBLC-GVDBMIGSSA-N 2 1 359.511 0.176 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930042 854830955 /nfs/dbraw/zinc/83/09/55/854830955.db2.gz WUCKJIVRYLSBLC-GVDBMIGSSA-N 2 1 359.511 0.176 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929707 854831229 /nfs/dbraw/zinc/83/12/29/854831229.db2.gz HYWFGGFBPWQUMP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929707 854831237 /nfs/dbraw/zinc/83/12/37/854831237.db2.gz HYWFGGFBPWQUMP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929707 854831246 /nfs/dbraw/zinc/83/12/46/854831246.db2.gz HYWFGGFBPWQUMP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929993 854831492 /nfs/dbraw/zinc/83/14/92/854831492.db2.gz VABDAOFKYIHZJY-HUUCEWRRSA-N 2 1 353.467 0.466 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929993 854831496 /nfs/dbraw/zinc/83/14/96/854831496.db2.gz VABDAOFKYIHZJY-HUUCEWRRSA-N 2 1 353.467 0.466 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929993 854831500 /nfs/dbraw/zinc/83/15/00/854831500.db2.gz VABDAOFKYIHZJY-HUUCEWRRSA-N 2 1 353.467 0.466 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929993 854831504 /nfs/dbraw/zinc/83/15/04/854831504.db2.gz VABDAOFKYIHZJY-HUUCEWRRSA-N 2 1 353.467 0.466 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214344059 854928327 /nfs/dbraw/zinc/92/83/27/854928327.db2.gz NGYOKMDNHRSSBL-JHJVBQTASA-N 2 1 351.476 0.612 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001214388544 854937693 /nfs/dbraw/zinc/93/76/93/854937693.db2.gz BDGIKEJYDFYJGR-UPJWGTAASA-N 2 1 353.385 0.332 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001214388544 854937703 /nfs/dbraw/zinc/93/77/03/854937703.db2.gz BDGIKEJYDFYJGR-UPJWGTAASA-N 2 1 353.385 0.332 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214662142 854988399 /nfs/dbraw/zinc/98/83/99/854988399.db2.gz VXJBVLPNKYCIBK-FDYHWXHSSA-N 2 1 364.412 0.442 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845491 855021956 /nfs/dbraw/zinc/02/19/56/855021956.db2.gz WKKDROJAASEZON-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214855521 855022885 /nfs/dbraw/zinc/02/28/85/855022885.db2.gz FCVIYYJMLLGRAW-DJIMGWMZSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184752 855078999 /nfs/dbraw/zinc/07/89/99/855078999.db2.gz RSOGJDRBVSSHSH-QCZOYZIOSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215224085 855083306 /nfs/dbraw/zinc/08/33/06/855083306.db2.gz HPNFUFOSVVCNCM-BMFZPTHFSA-N 2 1 357.520 0.342 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392925 855108443 /nfs/dbraw/zinc/10/84/43/855108443.db2.gz HIBAKRWCCNKQQY-ZACQAIPSSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392925 855108447 /nfs/dbraw/zinc/10/84/47/855108447.db2.gz HIBAKRWCCNKQQY-ZACQAIPSSA-N 2 1 357.495 0.195 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001215421781 855112987 /nfs/dbraw/zinc/11/29/87/855112987.db2.gz LYKISRIFUXWKNA-ZIAGYGMSSA-N 2 1 351.499 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215536117 855126295 /nfs/dbraw/zinc/12/62/95/855126295.db2.gz JAPVEDTXZZPANY-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C)C1CC1 ZINC001215539918 855126374 /nfs/dbraw/zinc/12/63/74/855126374.db2.gz COCRPUUGUKJPSO-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215933996 855157657 /nfs/dbraw/zinc/15/76/57/855157657.db2.gz AUFNIUVBCTWRJS-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216217241 855180354 /nfs/dbraw/zinc/18/03/54/855180354.db2.gz MHBWELLWVIFUEB-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216226169 855180464 /nfs/dbraw/zinc/18/04/64/855180464.db2.gz OMCAMMBTGYGOMQ-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)s1 ZINC001216401316 855199239 /nfs/dbraw/zinc/19/92/39/855199239.db2.gz JTYNTTPYGCHEFM-MBNYWOFBSA-N 2 1 355.508 0.922 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216503337 855208086 /nfs/dbraw/zinc/20/80/86/855208086.db2.gz PPTMGJLFNJEBOU-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216511226 855209785 /nfs/dbraw/zinc/20/97/85/855209785.db2.gz NHKJEWLKKANZPY-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001216752555 855231814 /nfs/dbraw/zinc/23/18/14/855231814.db2.gz TXOFXCIELDFCGJ-IIAWOOMASA-N 2 1 364.515 0.753 20 0 FCADMP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001216754165 855232421 /nfs/dbraw/zinc/23/24/21/855232421.db2.gz JRVBJELGPYITEF-KWCYVHTRSA-N 2 1 365.503 0.778 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001216801585 855247189 /nfs/dbraw/zinc/24/71/89/855247189.db2.gz OOYRIWMORAXPBY-KFWWJZLASA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001216801585 855247192 /nfs/dbraw/zinc/24/71/92/855247192.db2.gz OOYRIWMORAXPBY-KFWWJZLASA-N 2 1 354.495 0.058 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801949 855247247 /nfs/dbraw/zinc/24/72/47/855247247.db2.gz ZDODNTYGNFXMRY-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801949 855247249 /nfs/dbraw/zinc/24/72/49/855247249.db2.gz ZDODNTYGNFXMRY-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144636 855400869 /nfs/dbraw/zinc/40/08/69/855400869.db2.gz NZDVVCXWXYUHAN-OUAUKWLOSA-N 2 1 350.419 0.930 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001218550883 855438816 /nfs/dbraw/zinc/43/88/16/855438816.db2.gz RUWYTIAXPKIXIW-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001218558268 855439465 /nfs/dbraw/zinc/43/94/65/855439465.db2.gz WRBSJFQIXYJZLH-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001218558268 855439475 /nfs/dbraw/zinc/43/94/75/855439475.db2.gz WRBSJFQIXYJZLH-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789401 855479483 /nfs/dbraw/zinc/47/94/83/855479483.db2.gz JPPSDBUEMVDOHU-HYVNUMGLSA-N 2 1 350.463 0.918 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789401 855479486 /nfs/dbraw/zinc/47/94/86/855479486.db2.gz JPPSDBUEMVDOHU-HYVNUMGLSA-N 2 1 350.463 0.918 20 0 FCADMP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218966370 855504517 /nfs/dbraw/zinc/50/45/17/855504517.db2.gz ZMJNFHCFNQHOJJ-DLBZAZTESA-N 2 1 351.491 0.811 20 0 FCADMP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218966370 855504519 /nfs/dbraw/zinc/50/45/19/855504519.db2.gz ZMJNFHCFNQHOJJ-DLBZAZTESA-N 2 1 351.491 0.811 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]21 ZINC001218970890 855505301 /nfs/dbraw/zinc/50/53/01/855505301.db2.gz NJHKJZCBORCAAR-DLBZAZTESA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970924 855505557 /nfs/dbraw/zinc/50/55/57/855505557.db2.gz OMPMYDFBKZOAMC-DLBZAZTESA-N 2 1 357.495 0.291 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049452 855525517 /nfs/dbraw/zinc/52/55/17/855525517.db2.gz NZJREAQDWOVUTP-FGTMMUONSA-N 2 1 353.507 0.935 20 0 FCADMP COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1OCCC[NH+]1CCN(C)CC1 ZINC001219315378 855628667 /nfs/dbraw/zinc/62/86/67/855628667.db2.gz XKUZTMAMWMKTRN-CQSZACIVSA-N 2 1 350.463 0.997 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219652306 855756068 /nfs/dbraw/zinc/75/60/68/855756068.db2.gz PRTANFZTCKVJBF-KSZLIROESA-N 2 1 353.507 0.552 20 0 FCADMP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765812 855804175 /nfs/dbraw/zinc/80/41/75/855804175.db2.gz CYMDAHMSDCRUDS-PVAVHDDUSA-N 2 1 350.894 0.880 20 0 FCADMP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765812 855804179 /nfs/dbraw/zinc/80/41/79/855804179.db2.gz CYMDAHMSDCRUDS-PVAVHDDUSA-N 2 1 350.894 0.880 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800265 855819474 /nfs/dbraw/zinc/81/94/74/855819474.db2.gz JHTFVHHFRQCQCT-IKGGRYGDSA-N 2 1 351.495 0.411 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800265 855819482 /nfs/dbraw/zinc/81/94/82/855819482.db2.gz JHTFVHHFRQCQCT-IKGGRYGDSA-N 2 1 351.495 0.411 20 0 FCADMP CC1CC(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H](O)C2)C1 ZINC001219878019 855858943 /nfs/dbraw/zinc/85/89/43/855858943.db2.gz WEPQGXRBCXXZTF-BACDZXNISA-N 2 1 353.507 0.552 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CC1 ZINC001219944391 855891302 /nfs/dbraw/zinc/89/13/02/855891302.db2.gz YSBHTQQKNBASOV-IXDOHACOSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034548 855928545 /nfs/dbraw/zinc/92/85/45/855928545.db2.gz TYYOPBHLPDXLTJ-ASLPWWTFSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034548 855928550 /nfs/dbraw/zinc/92/85/50/855928550.db2.gz TYYOPBHLPDXLTJ-ASLPWWTFSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034548 855928556 /nfs/dbraw/zinc/92/85/56/855928556.db2.gz TYYOPBHLPDXLTJ-ASLPWWTFSA-N 2 1 351.491 0.591 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161971 855988316 /nfs/dbraw/zinc/98/83/16/855988316.db2.gz HBLPXKHUJRIUOF-NUJGCVRESA-N 3 1 350.507 0.478 20 0 FCADMP CN1C[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161971 855988325 /nfs/dbraw/zinc/98/83/25/855988325.db2.gz HBLPXKHUJRIUOF-NUJGCVRESA-N 2 1 350.507 0.478 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355046 856080043 /nfs/dbraw/zinc/08/00/43/856080043.db2.gz BMIUTCDIQRHKDU-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355046 856080049 /nfs/dbraw/zinc/08/00/49/856080049.db2.gz BMIUTCDIQRHKDU-OIISXLGYSA-N 2 1 350.463 0.342 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220366870 856087818 /nfs/dbraw/zinc/08/78/18/856087818.db2.gz GDOIOYNHNDBLSX-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220366870 856087824 /nfs/dbraw/zinc/08/78/24/856087824.db2.gz GDOIOYNHNDBLSX-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220366870 856087828 /nfs/dbraw/zinc/08/78/28/856087828.db2.gz GDOIOYNHNDBLSX-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220366870 856087833 /nfs/dbraw/zinc/08/78/33/856087833.db2.gz GDOIOYNHNDBLSX-CVEARBPZSA-N 2 1 351.495 0.102 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1 ZINC001220369226 856087868 /nfs/dbraw/zinc/08/78/68/856087868.db2.gz CNFOOOKIDKKRNA-BACDZXNISA-N 2 1 355.523 0.941 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)C1 ZINC001220369226 856087872 /nfs/dbraw/zinc/08/78/72/856087872.db2.gz CNFOOOKIDKKRNA-BACDZXNISA-N 2 1 355.523 0.941 20 0 FCADMP CCOC1CC(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)C1 ZINC001220369226 856087874 /nfs/dbraw/zinc/08/78/74/856087874.db2.gz CNFOOOKIDKKRNA-BACDZXNISA-N 2 1 355.523 0.941 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369901 856089389 /nfs/dbraw/zinc/08/93/89/856089389.db2.gz XBGPCLAZUWSGCY-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369901 856089397 /nfs/dbraw/zinc/08/93/97/856089397.db2.gz XBGPCLAZUWSGCY-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369901 856089405 /nfs/dbraw/zinc/08/94/05/856089405.db2.gz XBGPCLAZUWSGCY-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369858 856089655 /nfs/dbraw/zinc/08/96/55/856089655.db2.gz VFRVSYLRARWKTR-OAGGEKHMSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369858 856089661 /nfs/dbraw/zinc/08/96/61/856089661.db2.gz VFRVSYLRARWKTR-OAGGEKHMSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O)CC(C)(C)C ZINC001220369858 856089666 /nfs/dbraw/zinc/08/96/66/856089666.db2.gz VFRVSYLRARWKTR-OAGGEKHMSA-N 2 1 355.523 0.941 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O)CC(C)(C)C ZINC001220369935 856089920 /nfs/dbraw/zinc/08/99/20/856089920.db2.gz YWIQBJLDVKYNOF-CABCVRRESA-N 2 1 354.520 0.825 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O)CC(C)(C)C ZINC001220369935 856089925 /nfs/dbraw/zinc/08/99/25/856089925.db2.gz YWIQBJLDVKYNOF-CABCVRRESA-N 2 1 354.520 0.825 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)CC(C)(C)C ZINC001220369935 856089932 /nfs/dbraw/zinc/08/99/32/856089932.db2.gz YWIQBJLDVKYNOF-CABCVRRESA-N 2 1 354.520 0.825 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)CC(C)(C)C ZINC001220369935 856089938 /nfs/dbraw/zinc/08/99/38/856089938.db2.gz YWIQBJLDVKYNOF-CABCVRRESA-N 2 1 354.520 0.825 20 0 FCADMP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436172 856125095 /nfs/dbraw/zinc/12/50/95/856125095.db2.gz RXBDJIOYPRQHDA-LBPRGKRZSA-N 2 1 370.391 0.713 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001220476476 856145810 /nfs/dbraw/zinc/14/58/10/856145810.db2.gz IZXLUBGLBMFGMY-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001220476476 856145813 /nfs/dbraw/zinc/14/58/13/856145813.db2.gz IZXLUBGLBMFGMY-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220547889 856178712 /nfs/dbraw/zinc/17/87/12/856178712.db2.gz METZTLLFNAONFT-BBWFWOEESA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220547889 856178715 /nfs/dbraw/zinc/17/87/15/856178715.db2.gz METZTLLFNAONFT-BBWFWOEESA-N 2 1 350.463 0.560 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@@H]1O ZINC001220553706 856181478 /nfs/dbraw/zinc/18/14/78/856181478.db2.gz PRVUQAUNTYHFRT-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@@H]1O ZINC001220553706 856181480 /nfs/dbraw/zinc/18/14/80/856181480.db2.gz PRVUQAUNTYHFRT-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1O ZINC001220553344 856181497 /nfs/dbraw/zinc/18/14/97/856181497.db2.gz FUADBIHMSJHEAK-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@@H]1O ZINC001220553344 856181502 /nfs/dbraw/zinc/18/15/02/856181502.db2.gz FUADBIHMSJHEAK-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2O)CC1 ZINC001220637745 856215300 /nfs/dbraw/zinc/21/53/00/856215300.db2.gz KGSAHMSCULUDAG-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1(C)C ZINC001220716471 856259902 /nfs/dbraw/zinc/25/99/02/856259902.db2.gz IOAUNZQKVRTXHP-LXFSFDBISA-N 2 1 352.479 0.429 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728746 856266734 /nfs/dbraw/zinc/26/67/34/856266734.db2.gz YTTYECPXQQXODS-MSOLQXFVSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC001220768561 856289149 /nfs/dbraw/zinc/28/91/49/856289149.db2.gz RDGHIMDXSQJNIL-KFWWJZLASA-N 2 1 363.449 0.551 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1O ZINC001220768562 856290855 /nfs/dbraw/zinc/29/08/55/856290855.db2.gz RDGHIMDXSQJNIL-ZNMIVQPWSA-N 2 1 363.449 0.551 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799310 856306428 /nfs/dbraw/zinc/30/64/28/856306428.db2.gz WAFDCTOFHDGZLE-XHSDSOJGSA-N 2 1 356.511 0.135 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799310 856306438 /nfs/dbraw/zinc/30/64/38/856306438.db2.gz WAFDCTOFHDGZLE-XHSDSOJGSA-N 2 1 356.511 0.135 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806442 856309371 /nfs/dbraw/zinc/30/93/71/856309371.db2.gz CPFRFNATOVVPJZ-CABCVRRESA-N 2 1 354.520 0.887 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806593 856310261 /nfs/dbraw/zinc/31/02/61/856310261.db2.gz HIDHMROGWNNVPG-CABCVRRESA-N 2 1 353.467 0.204 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806593 856310249 /nfs/dbraw/zinc/31/02/49/856310249.db2.gz HIDHMROGWNNVPG-CABCVRRESA-N 2 1 353.467 0.204 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220817385 856320347 /nfs/dbraw/zinc/32/03/47/856320347.db2.gz UPVNLPVFTSHKNW-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220817385 856320351 /nfs/dbraw/zinc/32/03/51/856320351.db2.gz UPVNLPVFTSHKNW-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220817385 856320354 /nfs/dbraw/zinc/32/03/54/856320354.db2.gz UPVNLPVFTSHKNW-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220817385 856320357 /nfs/dbraw/zinc/32/03/57/856320357.db2.gz UPVNLPVFTSHKNW-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001220825710 856326064 /nfs/dbraw/zinc/32/60/64/856326064.db2.gz CFEHWDIRDUFTBN-CABCVRRESA-N 2 1 353.467 0.204 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001220825710 856326067 /nfs/dbraw/zinc/32/60/67/856326067.db2.gz CFEHWDIRDUFTBN-CABCVRRESA-N 2 1 353.467 0.204 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001220825710 856326071 /nfs/dbraw/zinc/32/60/71/856326071.db2.gz CFEHWDIRDUFTBN-CABCVRRESA-N 2 1 353.467 0.204 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001220825710 856326076 /nfs/dbraw/zinc/32/60/76/856326076.db2.gz CFEHWDIRDUFTBN-CABCVRRESA-N 2 1 353.467 0.204 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC001220910951 856370435 /nfs/dbraw/zinc/37/04/35/856370435.db2.gz AHFQFQPFXDLLBR-YOEHRIQHSA-N 2 1 351.422 0.638 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001220985775 856407708 /nfs/dbraw/zinc/40/77/08/856407708.db2.gz FQZGOABECRKLNV-YUELXQCFSA-N 2 1 361.433 0.161 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220985756 856407813 /nfs/dbraw/zinc/40/78/13/856407813.db2.gz DXRKBYNHSXEXNP-BBWFWOEESA-N 2 1 355.523 0.942 20 0 FCADMP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986022 856409033 /nfs/dbraw/zinc/40/90/33/856409033.db2.gz ORUQNNHSXZHVMC-UWBQZYMWSA-N 2 1 353.507 0.862 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220994611 856413615 /nfs/dbraw/zinc/41/36/15/856413615.db2.gz YWZXSJZEAKPDGO-KURKYZTESA-N 2 1 353.507 0.840 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](O)C1 ZINC001221152989 856486480 /nfs/dbraw/zinc/48/64/80/856486480.db2.gz WGGYAUANONAMPG-CVEARBPZSA-N 2 1 353.463 0.933 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](O)C1 ZINC001221152989 856486490 /nfs/dbraw/zinc/48/64/90/856486490.db2.gz WGGYAUANONAMPG-CVEARBPZSA-N 2 1 353.463 0.933 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001221158595 856490262 /nfs/dbraw/zinc/49/02/62/856490262.db2.gz NUTTVBYMQTWULQ-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221271795 856535049 /nfs/dbraw/zinc/53/50/49/856535049.db2.gz IYXRUQCMHALDHP-YPHZTSLFSA-N 2 1 367.430 0.929 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787179 856682746 /nfs/dbraw/zinc/68/27/46/856682746.db2.gz MGWUPUFORDFBGB-IXDOHACOSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787179 856682747 /nfs/dbraw/zinc/68/27/47/856682747.db2.gz MGWUPUFORDFBGB-IXDOHACOSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21)[NH+](C)C ZINC001221793657 856685111 /nfs/dbraw/zinc/68/51/11/856685111.db2.gz HEWWZKWOTMQEDF-BRWVUGGUSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21)[NH+](C)C ZINC001221793657 856685118 /nfs/dbraw/zinc/68/51/18/856685118.db2.gz HEWWZKWOTMQEDF-BRWVUGGUSA-N 2 1 350.507 0.632 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001221791320 856685502 /nfs/dbraw/zinc/68/55/02/856685502.db2.gz GACBHQIHEKJFNA-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001221791320 856685509 /nfs/dbraw/zinc/68/55/09/856685509.db2.gz GACBHQIHEKJFNA-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793065 856685889 /nfs/dbraw/zinc/68/58/89/856685889.db2.gz MVVSDWNYYLQXFJ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793065 856685891 /nfs/dbraw/zinc/68/58/91/856685891.db2.gz MVVSDWNYYLQXFJ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221883828 856723085 /nfs/dbraw/zinc/72/30/85/856723085.db2.gz VZPHCBQKIJFVTI-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CO[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001221950778 856745786 /nfs/dbraw/zinc/74/57/86/856745786.db2.gz XVOZTEBXCXPKCN-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCOCC3CCC3)C[C@H]21 ZINC001221950770 856745804 /nfs/dbraw/zinc/74/58/04/856745804.db2.gz XGEZYCYRVIRDRK-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968973 856753101 /nfs/dbraw/zinc/75/31/01/856753101.db2.gz KFAFAKLBTDYVKN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968973 856753109 /nfs/dbraw/zinc/75/31/09/856753109.db2.gz KFAFAKLBTDYVKN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968973 856753117 /nfs/dbraw/zinc/75/31/17/856753117.db2.gz KFAFAKLBTDYVKN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221968973 856753122 /nfs/dbraw/zinc/75/31/22/856753122.db2.gz KFAFAKLBTDYVKN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027385 856777004 /nfs/dbraw/zinc/77/70/04/856777004.db2.gz UGOMARFIOOYPNW-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027385 856777011 /nfs/dbraw/zinc/77/70/11/856777011.db2.gz UGOMARFIOOYPNW-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027402 856777692 /nfs/dbraw/zinc/77/76/92/856777692.db2.gz VLCFMFMDDRXSCW-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027402 856777699 /nfs/dbraw/zinc/77/76/99/856777699.db2.gz VLCFMFMDDRXSCW-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222694036 856866322 /nfs/dbraw/zinc/86/63/22/856866322.db2.gz MKTXFZWUYJQIRN-KURKYZTESA-N 2 1 351.491 0.260 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222922352 856883497 /nfs/dbraw/zinc/88/34/97/856883497.db2.gz WBVFYCLIJLEYMT-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222922352 856883506 /nfs/dbraw/zinc/88/35/06/856883506.db2.gz WBVFYCLIJLEYMT-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222922352 856883510 /nfs/dbraw/zinc/88/35/10/856883510.db2.gz WBVFYCLIJLEYMT-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001222929019 856883580 /nfs/dbraw/zinc/88/35/80/856883580.db2.gz AJBFXZABOVALJN-RYRKJORJSA-N 2 1 352.523 0.974 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222986284 856888112 /nfs/dbraw/zinc/88/81/12/856888112.db2.gz PXWOKEXGZYRFSJ-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222986284 856888119 /nfs/dbraw/zinc/88/81/19/856888119.db2.gz PXWOKEXGZYRFSJ-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222986284 856888125 /nfs/dbraw/zinc/88/81/25/856888125.db2.gz PXWOKEXGZYRFSJ-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222986284 856888131 /nfs/dbraw/zinc/88/81/31/856888131.db2.gz PXWOKEXGZYRFSJ-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223247026 856905853 /nfs/dbraw/zinc/90/58/53/856905853.db2.gz ZMJVLDKTCUPOJN-SJORKVTESA-N 2 1 353.507 0.793 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430999 856917174 /nfs/dbraw/zinc/91/71/74/856917174.db2.gz TXTYRNVZGJEWQY-CVEARBPZSA-N 2 1 353.511 0.569 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505519 856922161 /nfs/dbraw/zinc/92/21/61/856922161.db2.gz GMLLCCJMJZXCGW-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505519 856922168 /nfs/dbraw/zinc/92/21/68/856922168.db2.gz GMLLCCJMJZXCGW-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505519 856922172 /nfs/dbraw/zinc/92/21/72/856922172.db2.gz GMLLCCJMJZXCGW-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505519 856922175 /nfs/dbraw/zinc/92/21/75/856922175.db2.gz GMLLCCJMJZXCGW-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCOCC3CC3)CC2)O1 ZINC001223570902 856926182 /nfs/dbraw/zinc/92/61/82/856926182.db2.gz UDOVTRDHAAJYNU-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCOCC3CC3)CC2)O1 ZINC001223570902 856926184 /nfs/dbraw/zinc/92/61/84/856926184.db2.gz UDOVTRDHAAJYNU-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916325 856950618 /nfs/dbraw/zinc/95/06/18/856950618.db2.gz GUWNFSAQDZWCLH-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916325 856950625 /nfs/dbraw/zinc/95/06/25/856950625.db2.gz GUWNFSAQDZWCLH-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916325 856950635 /nfs/dbraw/zinc/95/06/35/856950635.db2.gz GUWNFSAQDZWCLH-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223916325 856950643 /nfs/dbraw/zinc/95/06/43/856950643.db2.gz GUWNFSAQDZWCLH-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223985219 856954380 /nfs/dbraw/zinc/95/43/80/856954380.db2.gz UHEWJSCAQYMCLW-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223985219 856954390 /nfs/dbraw/zinc/95/43/90/856954390.db2.gz UHEWJSCAQYMCLW-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223985219 856954395 /nfs/dbraw/zinc/95/43/95/856954395.db2.gz UHEWJSCAQYMCLW-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129043 856961645 /nfs/dbraw/zinc/96/16/45/856961645.db2.gz DDKJTOWXSCVICC-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129043 856961655 /nfs/dbraw/zinc/96/16/55/856961655.db2.gz DDKJTOWXSCVICC-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129030 856961981 /nfs/dbraw/zinc/96/19/81/856961981.db2.gz CUUWFFSIYUDBBH-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129030 856961986 /nfs/dbraw/zinc/96/19/86/856961986.db2.gz CUUWFFSIYUDBBH-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226891914 857130270 /nfs/dbraw/zinc/13/02/70/857130270.db2.gz WKBMOFWLEZXODQ-MGPQQGTHSA-N 2 1 353.467 0.073 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227083775 857140357 /nfs/dbraw/zinc/14/03/57/857140357.db2.gz XRZVJEJNHSFFGR-KFWWJZLASA-N 2 1 360.524 0.037 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443470 857160853 /nfs/dbraw/zinc/16/08/53/857160853.db2.gz KXKRDBHZEROVJV-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443470 857160860 /nfs/dbraw/zinc/16/08/60/857160860.db2.gz KXKRDBHZEROVJV-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001227953048 857186412 /nfs/dbraw/zinc/18/64/12/857186412.db2.gz AFEFSLVINGQYTE-KWCYVHTRSA-N 2 1 367.412 0.599 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001227953048 857186417 /nfs/dbraw/zinc/18/64/17/857186417.db2.gz AFEFSLVINGQYTE-KWCYVHTRSA-N 2 1 367.412 0.599 20 0 FCADMP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)[N@@H+]1CCO ZINC001227997015 857188356 /nfs/dbraw/zinc/18/83/56/857188356.db2.gz HIDXFBCIMGXZFQ-CALCHBBNSA-N 2 1 355.527 0.111 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)o1 ZINC001229710603 857283552 /nfs/dbraw/zinc/28/35/52/857283552.db2.gz QZACGVOAZQJQTB-ZIAGYGMSSA-N 2 1 353.467 0.727 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001230141865 857306759 /nfs/dbraw/zinc/30/67/59/857306759.db2.gz WAPYDQFBUXCKQL-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284465 857322812 /nfs/dbraw/zinc/32/28/12/857322812.db2.gz GLHBEFKADAERHT-ZIAGYGMSSA-N 2 1 355.483 0.189 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279474377 862904019 /nfs/dbraw/zinc/90/40/19/862904019.db2.gz NCIPTWVWSBYYJI-IEBWSBKVSA-N 2 1 352.523 0.774 20 0 FCADMP COCCN1[C@]2(CC[N@@H+](CCCC[NH3+])C2)c2ccccc2S1(=O)=O ZINC001235575324 857428878 /nfs/dbraw/zinc/42/88/78/857428878.db2.gz SEZUCDKBOHCQCH-KRWDZBQOSA-N 2 1 353.488 0.977 20 0 FCADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001237741346 857457407 /nfs/dbraw/zinc/45/74/07/857457407.db2.gz CMURCXLOIRMBLS-HNNXBMFYSA-N 2 1 355.460 0.613 20 0 FCADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239097983 857513615 /nfs/dbraw/zinc/51/36/15/857513615.db2.gz UORCGTNBDRSACH-QGZVFWFLSA-N 2 1 359.536 0.891 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502886 862921222 /nfs/dbraw/zinc/92/12/22/862921222.db2.gz ZGKCUSZGBOVDAG-SJORKVTESA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502886 862921228 /nfs/dbraw/zinc/92/12/28/862921228.db2.gz ZGKCUSZGBOVDAG-SJORKVTESA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502886 862921239 /nfs/dbraw/zinc/92/12/39/862921239.db2.gz ZGKCUSZGBOVDAG-SJORKVTESA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502886 862921244 /nfs/dbraw/zinc/92/12/44/862921244.db2.gz ZGKCUSZGBOVDAG-SJORKVTESA-N 2 1 358.552 0.923 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001245978173 857561897 /nfs/dbraw/zinc/56/18/97/857561897.db2.gz JYILBSNHUCOSCC-IHXXTUNLSA-N 2 1 355.429 0.552 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020058 857564177 /nfs/dbraw/zinc/56/41/77/857564177.db2.gz HCQOGJXPFCTFHI-XIRDDKMYSA-N 2 1 350.459 0.753 20 0 FCADMP COC(=O)C1([NH3+])CCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246046138 857566246 /nfs/dbraw/zinc/56/62/46/857566246.db2.gz QOKSFWKIRUHQMO-LSDHHAIUSA-N 2 1 357.401 0.162 20 0 FCADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C2CCOCC2)CC1 ZINC001246071925 857568363 /nfs/dbraw/zinc/56/83/63/857568363.db2.gz WANBFQMKMYNIMB-BQFCYCMXSA-N 3 1 355.523 0.603 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CCOC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246259095 857571098 /nfs/dbraw/zinc/57/10/98/857571098.db2.gz ZCBPWUHCZJTXNW-LHJGCZIBSA-N 2 1 351.491 0.949 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606385 857586087 /nfs/dbraw/zinc/58/60/87/857586087.db2.gz FGFQNROINHWLMI-ILXRZTDVSA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606385 857586097 /nfs/dbraw/zinc/58/60/97/857586097.db2.gz FGFQNROINHWLMI-ILXRZTDVSA-N 2 1 353.463 0.287 20 0 FCADMP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246699305 857592464 /nfs/dbraw/zinc/59/24/64/857592464.db2.gz GRSXFQRPAZFIQE-OWFFQAJTSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C[NH2+]1 ZINC001246729502 857593375 /nfs/dbraw/zinc/59/33/75/857593375.db2.gz ORBXSHRGPQMMCC-DLBZAZTESA-N 3 1 351.539 0.297 20 0 FCADMP C[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C[NH2+]1 ZINC001246729502 857593383 /nfs/dbraw/zinc/59/33/83/857593383.db2.gz ORBXSHRGPQMMCC-DLBZAZTESA-N 3 1 351.539 0.297 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733746 857594827 /nfs/dbraw/zinc/59/48/27/857594827.db2.gz BIPSFARUDNUWQU-VXNCWWDNSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736219 857595689 /nfs/dbraw/zinc/59/56/89/857595689.db2.gz KFGVIRQORGSYNU-MTNOOBJLSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@H]1CC[C@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754180 857598596 /nfs/dbraw/zinc/59/85/96/857598596.db2.gz SSAMNRAJZUURBX-IRXDYDNUSA-N 2 1 352.523 0.630 20 0 FCADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940755 857606523 /nfs/dbraw/zinc/60/65/23/857606523.db2.gz VAUAQBZMLHLHFG-RDJZCZTQSA-N 3 1 350.507 0.430 20 0 FCADMP COC(=O)[C@H]1CCCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940755 857606525 /nfs/dbraw/zinc/60/65/25/857606525.db2.gz VAUAQBZMLHLHFG-RDJZCZTQSA-N 2 1 350.507 0.430 20 0 FCADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940756 857606533 /nfs/dbraw/zinc/60/65/33/857606533.db2.gz VAUAQBZMLHLHFG-WBVHZDCISA-N 3 1 350.507 0.430 20 0 FCADMP COC(=O)[C@@H]1CCCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940756 857606535 /nfs/dbraw/zinc/60/65/35/857606535.db2.gz VAUAQBZMLHLHFG-WBVHZDCISA-N 2 1 350.507 0.430 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CN1 ZINC001247010943 857609623 /nfs/dbraw/zinc/60/96/23/857609623.db2.gz WWZHPJCDFUXBER-KKUMJFAQSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C(=O)OCC)NC2)CCC12C[NH2+]C2 ZINC001247010942 857609895 /nfs/dbraw/zinc/60/98/95/857609895.db2.gz WWZHPJCDFUXBER-KFWWJZLASA-N 2 1 353.463 0.145 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)COc2cccc(F)c2)CCC1=O ZINC001250809417 857664221 /nfs/dbraw/zinc/66/42/21/857664221.db2.gz PCHPQWDWXKRKTR-MRXNPFEDSA-N 2 1 353.438 0.661 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)COc2cccc(F)c2)CCC1=O ZINC001250809417 857664223 /nfs/dbraw/zinc/66/42/23/857664223.db2.gz PCHPQWDWXKRKTR-MRXNPFEDSA-N 2 1 353.438 0.661 20 0 FCADMP COC(=O)[C@@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001252436130 857806966 /nfs/dbraw/zinc/80/69/66/857806966.db2.gz NTDNAFFNVDLZDU-RDBSUJKOSA-N 2 1 357.451 0.051 20 0 FCADMP COC(=O)[C@@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001252436130 857806974 /nfs/dbraw/zinc/80/69/74/857806974.db2.gz NTDNAFFNVDLZDU-RDBSUJKOSA-N 2 1 357.451 0.051 20 0 FCADMP CC(C)OC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252675873 857830992 /nfs/dbraw/zinc/83/09/92/857830992.db2.gz JMJHXDCCWFSOLU-KRWDZBQOSA-N 2 1 351.491 0.596 20 0 FCADMP COc1ccccc1OC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252911968 857849136 /nfs/dbraw/zinc/84/91/36/857849136.db2.gz ZPHXGWNYSYUZTP-OAHLLOKOSA-N 2 1 351.447 0.189 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001253389331 857884876 /nfs/dbraw/zinc/88/48/76/857884876.db2.gz ZNFXTOAYMYXFHX-QBPKDAKJSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001253391422 857885331 /nfs/dbraw/zinc/88/53/31/857885331.db2.gz MAHZVYNBQFEMMF-HZPDHXFCSA-N 2 1 353.507 0.696 20 0 FCADMP Cn1cc[nH+]c1N([C@@H]1CCS(=O)(=O)C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001254332590 857960219 /nfs/dbraw/zinc/96/02/19/857960219.db2.gz REPRZYKDIPCELM-ZIAGYGMSSA-N 2 1 354.476 0.325 20 0 FCADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)N1CCOCC1 ZINC001279593765 862972104 /nfs/dbraw/zinc/97/21/04/862972104.db2.gz HSLRCPAJDZRVFY-ALOPSCKCSA-N 2 1 352.523 0.770 20 0 FCADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)N1CCOCC1 ZINC001279593765 862972109 /nfs/dbraw/zinc/97/21/09/862972109.db2.gz HSLRCPAJDZRVFY-ALOPSCKCSA-N 2 1 352.523 0.770 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC001257111112 858119969 /nfs/dbraw/zinc/11/99/69/858119969.db2.gz QTOHCBLTQFKXDX-QGZVFWFLSA-N 2 1 356.536 0.483 20 0 FCADMP COC(=O)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370970 858194433 /nfs/dbraw/zinc/19/44/33/858194433.db2.gz LIBQGVKBINKPLK-BZUAXINKSA-N 2 1 355.479 0.439 20 0 FCADMP COC(=O)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370970 858194437 /nfs/dbraw/zinc/19/44/37/858194437.db2.gz LIBQGVKBINKPLK-BZUAXINKSA-N 2 1 355.479 0.439 20 0 FCADMP COC(=O)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258370970 858194441 /nfs/dbraw/zinc/19/44/41/858194441.db2.gz LIBQGVKBINKPLK-BZUAXINKSA-N 2 1 355.479 0.439 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](Cc3c(N)ncnc3Cl)C[C@H]2CC1 ZINC001279714884 863020118 /nfs/dbraw/zinc/02/01/18/863020118.db2.gz RHPKUDIFUOCNAQ-BETUJISGSA-N 2 1 366.897 0.944 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH+](Cc3c(N)ncnc3Cl)C[C@H]2CC1 ZINC001279714884 863020128 /nfs/dbraw/zinc/02/01/28/863020128.db2.gz RHPKUDIFUOCNAQ-BETUJISGSA-N 2 1 366.897 0.944 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@@H+](Cc3c(N)ncnc3Cl)C[C@H]2CC1 ZINC001279714884 863020140 /nfs/dbraw/zinc/02/01/40/863020140.db2.gz RHPKUDIFUOCNAQ-BETUJISGSA-N 2 1 366.897 0.944 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](Cc3c(N)ncnc3Cl)C[C@H]2CC1 ZINC001279714884 863020150 /nfs/dbraw/zinc/02/01/50/863020150.db2.gz RHPKUDIFUOCNAQ-BETUJISGSA-N 2 1 366.897 0.944 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001279728381 863028656 /nfs/dbraw/zinc/02/86/56/863028656.db2.gz ZXPLWRRORMGSDP-JKSUJKDBSA-N 2 1 352.479 0.652 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H]1C ZINC001261525297 858579579 /nfs/dbraw/zinc/57/95/79/858579579.db2.gz ZJHYQUMSIYYMRA-OLMMMNRUSA-N 2 1 350.507 0.905 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482540 858957159 /nfs/dbraw/zinc/95/71/59/858957159.db2.gz FSDXGHIBVMOPAW-BFHYXJOUSA-N 2 1 366.535 0.989 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482540 858957171 /nfs/dbraw/zinc/95/71/71/858957171.db2.gz FSDXGHIBVMOPAW-BFHYXJOUSA-N 2 1 366.535 0.989 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267195466 859499454 /nfs/dbraw/zinc/49/94/54/859499454.db2.gz AYZXHSMBGCLYKD-GRYCIOLGSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267195466 859499458 /nfs/dbraw/zinc/49/94/58/859499458.db2.gz AYZXHSMBGCLYKD-GRYCIOLGSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267195466 859499464 /nfs/dbraw/zinc/49/94/64/859499464.db2.gz AYZXHSMBGCLYKD-GRYCIOLGSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267195466 859499470 /nfs/dbraw/zinc/49/94/70/859499470.db2.gz AYZXHSMBGCLYKD-GRYCIOLGSA-N 2 1 352.401 0.442 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001270333114 859718883 /nfs/dbraw/zinc/71/88/83/859718883.db2.gz QKCJABHCXQKATA-CVEARBPZSA-N 2 1 350.507 0.635 20 0 FCADMP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001271138742 859903718 /nfs/dbraw/zinc/90/37/18/859903718.db2.gz HBOPHHMNIFMGCB-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651465 859984739 /nfs/dbraw/zinc/98/47/39/859984739.db2.gz UIRFALRQMFVOAR-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC001271657640 859987388 /nfs/dbraw/zinc/98/73/88/859987388.db2.gz AYTVPOLOCAYRBX-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001272868668 860286010 /nfs/dbraw/zinc/28/60/10/860286010.db2.gz VOYDOUTXWCIQOE-HOTGVXAUSA-N 2 1 363.531 0.874 20 0 FCADMP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C)CC1 ZINC001272868668 860286017 /nfs/dbraw/zinc/28/60/17/860286017.db2.gz VOYDOUTXWCIQOE-HOTGVXAUSA-N 2 1 363.531 0.874 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]2CC1 ZINC001273121607 860382086 /nfs/dbraw/zinc/38/20/86/860382086.db2.gz SEGFDTZYLUZMEJ-CALCHBBNSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC001273120665 860382447 /nfs/dbraw/zinc/38/24/47/860382447.db2.gz JVDQXWYGNWXMQA-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)C1=O ZINC001273404091 860479532 /nfs/dbraw/zinc/47/95/32/860479532.db2.gz TXQQYINVERXCQC-KXBFYZLASA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274085081 860674891 /nfs/dbraw/zinc/67/48/91/860674891.db2.gz XMRISDOHAJWFAE-MRXNPFEDSA-N 2 1 350.507 0.905 20 0 FCADMP CCC[NH+](CCC)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001274472437 860759579 /nfs/dbraw/zinc/75/95/79/860759579.db2.gz WJJVANRDOIKXQR-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001274908017 860867964 /nfs/dbraw/zinc/86/79/64/860867964.db2.gz ISXSMQTUVXCJKN-JENIJYKNSA-N 2 1 351.491 0.687 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001274908017 860867970 /nfs/dbraw/zinc/86/79/70/860867970.db2.gz ISXSMQTUVXCJKN-JENIJYKNSA-N 2 1 351.491 0.687 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001274908017 860867983 /nfs/dbraw/zinc/86/79/83/860867983.db2.gz ISXSMQTUVXCJKN-JENIJYKNSA-N 2 1 351.491 0.687 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001274908017 860867991 /nfs/dbraw/zinc/86/79/91/860867991.db2.gz ISXSMQTUVXCJKN-JENIJYKNSA-N 2 1 351.491 0.687 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)C3([NH+](C)C)CC3)CC2)C1 ZINC001274952847 860879001 /nfs/dbraw/zinc/87/90/01/860879001.db2.gz JCNGDSIDWFHVFS-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508498 861116940 /nfs/dbraw/zinc/11/69/40/861116940.db2.gz UZKXIFRTPIOCCR-SFHVURJKSA-N 2 1 354.495 0.014 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508498 861116944 /nfs/dbraw/zinc/11/69/44/861116944.db2.gz UZKXIFRTPIOCCR-SFHVURJKSA-N 2 1 354.495 0.014 20 0 FCADMP COC(=O)[C@@H](C)CN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556212 861127646 /nfs/dbraw/zinc/12/76/46/861127646.db2.gz JEKKMARXUZTMNA-AWEZNQCLSA-N 2 1 353.463 0.051 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556912 861127914 /nfs/dbraw/zinc/12/79/14/861127914.db2.gz QJVPMLOVERAGFC-IBGZPJMESA-N 2 1 353.507 0.916 20 0 FCADMP CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556643 861128013 /nfs/dbraw/zinc/12/80/13/861128013.db2.gz NGUKEXAZVYGUCQ-BEFAXECRSA-N 2 1 351.491 0.857 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736549 861179981 /nfs/dbraw/zinc/17/99/81/861179981.db2.gz FTYHXOWCFRFVJU-GOSISDBHSA-N 2 1 353.463 0.448 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737875 861182150 /nfs/dbraw/zinc/18/21/50/861182150.db2.gz QDAOWVGTTPZKCB-DLBZAZTESA-N 2 1 359.417 0.512 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737875 861182157 /nfs/dbraw/zinc/18/21/57/861182157.db2.gz QDAOWVGTTPZKCB-DLBZAZTESA-N 2 1 359.417 0.512 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](CC4CCOCC4)C3)O2)CC1 ZINC001279891454 863118850 /nfs/dbraw/zinc/11/88/50/863118850.db2.gz ICLDKMXHDPXTSJ-KRWDZBQOSA-N 2 1 351.491 0.857 20 0 FCADMP COCCN(C)C(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]2CCCO[C@H]21 ZINC001280135332 863285869 /nfs/dbraw/zinc/28/58/69/863285869.db2.gz MEMHUUSLNRQEHC-FGTMMUONSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]23)C[C@H](C)O1 ZINC001280138534 863289523 /nfs/dbraw/zinc/28/95/23/863289523.db2.gz ZVRSWGDMOJHCAX-LQKXBSAESA-N 2 1 350.463 0.308 20 0 FCADMP C[NH+]1CCC(CC[NH+]2CC3(C2)CC[C@@H](C(=O)NCC2COC2)O3)CC1 ZINC001280142357 863291676 /nfs/dbraw/zinc/29/16/76/863291676.db2.gz VMQZISUDLGJCEB-KRWDZBQOSA-N 2 1 351.491 0.714 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC3(C2)CC[NH+](CCC[NH+](C)C)CC3)c1 ZINC001280225094 863347940 /nfs/dbraw/zinc/34/79/40/863347940.db2.gz QIUGHFOLQQGFPK-UHFFFAOYSA-N 2 1 355.508 0.458 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280225744 863348266 /nfs/dbraw/zinc/34/82/66/863348266.db2.gz UWUULEHCFUXTJD-IRXDYDNUSA-N 2 1 351.539 0.012 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256814 863365104 /nfs/dbraw/zinc/36/51/04/863365104.db2.gz LLEAGJSRQBEWEJ-SPYBWZPUSA-N 2 1 350.482 0.515 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256814 863365111 /nfs/dbraw/zinc/36/51/11/863365111.db2.gz LLEAGJSRQBEWEJ-SPYBWZPUSA-N 2 1 350.482 0.515 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280256814 863365121 /nfs/dbraw/zinc/36/51/21/863365121.db2.gz LLEAGJSRQBEWEJ-SPYBWZPUSA-N 2 1 350.482 0.515 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257156 863365311 /nfs/dbraw/zinc/36/53/11/863365311.db2.gz GJWYJCLEYBDPTQ-RANZSIQMSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257156 863365318 /nfs/dbraw/zinc/36/53/18/863365318.db2.gz GJWYJCLEYBDPTQ-RANZSIQMSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257156 863365328 /nfs/dbraw/zinc/36/53/28/863365328.db2.gz GJWYJCLEYBDPTQ-RANZSIQMSA-N 2 1 351.491 0.570 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)N3CC[NH+](C)CC3)(C1)CCC2 ZINC001280303546 863396961 /nfs/dbraw/zinc/39/69/61/863396961.db2.gz XAGAFZRPQYMHPT-ZWKOTPCHSA-N 2 1 354.495 0.999 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCS(=O)(=O)N(C)C ZINC001292583126 865746304 /nfs/dbraw/zinc/74/63/04/865746304.db2.gz YTCWIQMPVAPZHI-OAHLLOKOSA-N 2 1 362.540 0.142 20 0 FCADMP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCN1C ZINC001349466302 866348584 /nfs/dbraw/zinc/34/85/84/866348584.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001349466302 866348600 /nfs/dbraw/zinc/34/86/00/866348600.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1CN(C)CCN1C ZINC001349466302 866348645 /nfs/dbraw/zinc/34/86/45/866348645.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC001357559705 868133781 /nfs/dbraw/zinc/13/37/81/868133781.db2.gz HUHVMQRMITYECF-OWCLPIDISA-N 2 1 354.495 0.242 20 0 FCADMP CCOC(=O)C[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001320445934 868170325 /nfs/dbraw/zinc/17/03/25/868170325.db2.gz PAAXQQXKDVIOAB-ZDUSSCGKSA-N 2 1 352.435 0.378 20 0 FCADMP CCOC(=O)C[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001320445934 868170331 /nfs/dbraw/zinc/17/03/31/868170331.db2.gz PAAXQQXKDVIOAB-ZDUSSCGKSA-N 2 1 352.435 0.378 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519842 868841868 /nfs/dbraw/zinc/84/18/68/868841868.db2.gz HUBALMSRBLUZGF-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001325740530 870013958 /nfs/dbraw/zinc/01/39/58/870013958.db2.gz LBFBMGLHHIOLMO-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001327521018 870920733 /nfs/dbraw/zinc/92/07/33/870920733.db2.gz QYNKRZCSYSIFEP-OLZOCXBDSA-N 2 1 352.504 0.725 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001327521018 870920746 /nfs/dbraw/zinc/92/07/46/870920746.db2.gz QYNKRZCSYSIFEP-OLZOCXBDSA-N 2 1 352.504 0.725 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001345184274 871216881 /nfs/dbraw/zinc/21/68/81/871216881.db2.gz HEKKEXYZRQYSBH-MRXNPFEDSA-N 2 1 350.507 0.969 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001328799779 871632853 /nfs/dbraw/zinc/63/28/53/871632853.db2.gz OPKHHAFBAMKUPY-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425402 871832893 /nfs/dbraw/zinc/83/28/93/871832893.db2.gz GCVRIVRYYIJARB-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001348484417 872710326 /nfs/dbraw/zinc/71/03/26/872710326.db2.gz YDOZYTICNJNECN-IAGOWNOFSA-N 2 1 356.511 0.848 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001348568335 872725683 /nfs/dbraw/zinc/72/56/83/872725683.db2.gz OEYQLRYCEYZTRZ-OAHLLOKOSA-N 2 1 354.495 0.252 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@H]1C ZINC001348852742 872813001 /nfs/dbraw/zinc/81/30/01/872813001.db2.gz OLSWCKBZHANGSJ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@H]1C ZINC001348852742 872813005 /nfs/dbraw/zinc/81/30/05/872813005.db2.gz OLSWCKBZHANGSJ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331906718 873299889 /nfs/dbraw/zinc/29/98/89/873299889.db2.gz VYQWBCUXIHNWHW-GVDBMIGSSA-N 2 1 353.511 0.175 20 0 FCADMP CCN(C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001332234351 873418079 /nfs/dbraw/zinc/41/80/79/873418079.db2.gz WPRCVIWCJJCCEH-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001332517414 873540921 /nfs/dbraw/zinc/54/09/21/873540921.db2.gz QSTZTVBZZZAXNU-MSOLQXFVSA-N 2 1 352.523 0.759 20 0 FCADMP CC(C)[NH+]1CCC(N(C)c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001332954545 873732865 /nfs/dbraw/zinc/73/28/65/873732865.db2.gz OTAZMZTTZKDCGO-UHFFFAOYSA-N 2 1 351.499 0.704 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001333262689 873881875 /nfs/dbraw/zinc/88/18/75/873881875.db2.gz RIESZAHYVCVVEX-KZNAEPCWSA-N 2 1 350.507 0.430 20 0 FCADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926254 948989838 /nfs/dbraw/zinc/98/98/38/948989838.db2.gz LXMXHIPUCDXLGL-GFCCVEGCSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706316 949455905 /nfs/dbraw/zinc/45/59/05/949455905.db2.gz LZIFSVLEVUDJHH-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708884 949504067 /nfs/dbraw/zinc/50/40/67/949504067.db2.gz XZGDTQORXZLCSS-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575876231 949642051 /nfs/dbraw/zinc/64/20/51/949642051.db2.gz JMYPESADUONNSS-GXTWGEPZSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198484 950408085 /nfs/dbraw/zinc/40/80/85/950408085.db2.gz TYJHBGPCESRFAO-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198484 950408101 /nfs/dbraw/zinc/40/81/01/950408101.db2.gz TYJHBGPCESRFAO-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199272 950419522 /nfs/dbraw/zinc/41/95/22/950419522.db2.gz YATITKUTTGKQOG-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576205882 950542605 /nfs/dbraw/zinc/54/26/05/950542605.db2.gz QWHYOSMQVHEAJR-CQSZACIVSA-N 2 1 369.473 0.947 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576206609 950577565 /nfs/dbraw/zinc/57/75/65/950577565.db2.gz YGBRYVJNIZESDC-AWEZNQCLSA-N 2 1 369.473 0.947 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208703 950618926 /nfs/dbraw/zinc/61/89/26/950618926.db2.gz TZKCEKGVDRUELL-IHRRRGAJSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208994 950620608 /nfs/dbraw/zinc/62/06/08/950620608.db2.gz XZCPWPLIVOZSLU-KBPBESRZSA-N 2 1 357.462 0.803 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983457 950680805 /nfs/dbraw/zinc/68/08/05/950680805.db2.gz PJRHEOZBCJGZBL-IUODEOHRSA-N 2 1 356.434 0.099 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574774062 951001660 /nfs/dbraw/zinc/00/16/60/951001660.db2.gz BTDPFJPLOOGBDW-CQSZACIVSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064641 951977866 /nfs/dbraw/zinc/97/78/66/951977866.db2.gz WASJUTQFTNXTPT-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064641 951977873 /nfs/dbraw/zinc/97/78/73/951977873.db2.gz WASJUTQFTNXTPT-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064641 951977877 /nfs/dbraw/zinc/97/78/77/951977877.db2.gz WASJUTQFTNXTPT-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575146449 952194315 /nfs/dbraw/zinc/19/43/15/952194315.db2.gz LEYAYPWTXZUXQC-OLZOCXBDSA-N 2 1 358.450 0.284 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C(C)[C@H]1C(=O)NCCn1cc[nH+]c1C ZINC000294813153 214266699 /nfs/dbraw/zinc/26/66/99/214266699.db2.gz GCSPFRXFNBHPAA-HZPDHXFCSA-N 2 1 358.446 0.511 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cn2)C1 ZINC000291509075 214039713 /nfs/dbraw/zinc/03/97/13/214039713.db2.gz QDLYGVRYPOWQRP-LSDHHAIUSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)nc2)C1 ZINC000291509075 214039718 /nfs/dbraw/zinc/03/97/18/214039718.db2.gz QDLYGVRYPOWQRP-LSDHHAIUSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)nc2)C1 ZINC000291509075 214039719 /nfs/dbraw/zinc/03/97/19/214039719.db2.gz QDLYGVRYPOWQRP-LSDHHAIUSA-N 2 1 359.474 0.445 20 0 FCADMP OCCC[NH+](CCO)Cc1cc(Cl)cc(C[N@H+](CCO)CCCO)c1 ZINC000297409890 214396697 /nfs/dbraw/zinc/39/66/97/214396697.db2.gz GHJJOMPXXAUVFT-UHFFFAOYSA-N 2 1 374.909 0.693 20 0 FCADMP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000291474039 214037240 /nfs/dbraw/zinc/03/72/40/214037240.db2.gz POMGRRJLHJZAPW-KZNAEPCWSA-N 2 1 366.531 0.883 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410785042 529696669 /nfs/dbraw/zinc/69/66/69/529696669.db2.gz SMCZYEKKYQFZRO-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410785042 529696670 /nfs/dbraw/zinc/69/66/70/529696670.db2.gz SMCZYEKKYQFZRO-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472845 529860957 /nfs/dbraw/zinc/86/09/57/529860957.db2.gz SFUJYQUVFUXRQF-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000410848225 529861410 /nfs/dbraw/zinc/86/14/10/529861410.db2.gz YGHUJNXJWXUAIQ-MSOLQXFVSA-N 2 1 360.502 0.649 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719231 530059512 /nfs/dbraw/zinc/05/95/12/530059512.db2.gz NPMHWBUTSIHGQI-YLJYHZDGSA-N 2 1 362.518 0.875 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000930652228 674046698 /nfs/dbraw/zinc/04/66/98/674046698.db2.gz INLGULCYIHOXLH-DOTOQJQBSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000930652228 674046704 /nfs/dbraw/zinc/04/67/04/674046704.db2.gz INLGULCYIHOXLH-DOTOQJQBSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000930652228 674046709 /nfs/dbraw/zinc/04/67/09/674046709.db2.gz INLGULCYIHOXLH-DOTOQJQBSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000930652228 674046713 /nfs/dbraw/zinc/04/67/13/674046713.db2.gz INLGULCYIHOXLH-DOTOQJQBSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399608 214990762 /nfs/dbraw/zinc/99/07/62/214990762.db2.gz SAUQSFJLGMIUEL-FQEVSTJZSA-N 2 1 366.550 0.852 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000331536821 215012282 /nfs/dbraw/zinc/01/22/82/215012282.db2.gz DRBYDSYCHOJNHG-CRAIPNDOSA-N 2 1 362.518 0.943 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[NH+](C)C1 ZINC000331542487 215013456 /nfs/dbraw/zinc/01/34/56/215013456.db2.gz PQMMAIIQEOVVHA-QAETUUGQSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)[N@H+](C)C1 ZINC000331542487 215013460 /nfs/dbraw/zinc/01/34/60/215013460.db2.gz PQMMAIIQEOVVHA-QAETUUGQSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)[N@@H+](C)C1 ZINC000331542487 215013464 /nfs/dbraw/zinc/01/34/64/215013464.db2.gz PQMMAIIQEOVVHA-QAETUUGQSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000331566862 215015933 /nfs/dbraw/zinc/01/59/33/215015933.db2.gz LAGHIUMBAFRHFW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331566862 215015935 /nfs/dbraw/zinc/01/59/35/215015935.db2.gz LAGHIUMBAFRHFW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000331566862 215015937 /nfs/dbraw/zinc/01/59/37/215015937.db2.gz LAGHIUMBAFRHFW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331684052 215034327 /nfs/dbraw/zinc/03/43/27/215034327.db2.gz SAQXMOKBENBOOF-BYNSBNAKSA-N 2 1 352.479 0.158 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C[C@H]1[NH3+] ZINC000331776548 215045933 /nfs/dbraw/zinc/04/59/33/215045933.db2.gz JSYHUXABEQVAHF-QBPKDAKJSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000331891000 215064031 /nfs/dbraw/zinc/06/40/31/215064031.db2.gz GNTZJMPUDFRTGM-QZWWFDLISA-N 2 1 350.507 0.809 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000331945265 215070503 /nfs/dbraw/zinc/07/05/03/215070503.db2.gz HBHBBBKVRLLBQD-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000332016045 215080558 /nfs/dbraw/zinc/08/05/58/215080558.db2.gz UXIRKYLBGHMTGQ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000332016045 215080559 /nfs/dbraw/zinc/08/05/59/215080559.db2.gz UXIRKYLBGHMTGQ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332016045 215080563 /nfs/dbraw/zinc/08/05/63/215080563.db2.gz UXIRKYLBGHMTGQ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332016045 215080565 /nfs/dbraw/zinc/08/05/65/215080565.db2.gz UXIRKYLBGHMTGQ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332040960 215082437 /nfs/dbraw/zinc/08/24/37/215082437.db2.gz JMYUEOVUMDPPAC-OAGGEKHMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332040960 215082441 /nfs/dbraw/zinc/08/24/41/215082441.db2.gz JMYUEOVUMDPPAC-OAGGEKHMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000332040960 215082436 /nfs/dbraw/zinc/08/24/36/215082436.db2.gz JMYUEOVUMDPPAC-OAGGEKHMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1[NH+](C)C ZINC000332134604 215099654 /nfs/dbraw/zinc/09/96/54/215099654.db2.gz LTFFBBVNVICKRG-INMHGKMJSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000332156680 215103544 /nfs/dbraw/zinc/10/35/44/215103544.db2.gz ONTXAVCTFFVVQK-GJYPPUQNSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000332408832 215147153 /nfs/dbraw/zinc/14/71/53/215147153.db2.gz QEXOBDJHBJRWDH-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332455377 215154828 /nfs/dbraw/zinc/15/48/28/215154828.db2.gz UPPZEORABYUCHR-QAETUUGQSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332455377 215154831 /nfs/dbraw/zinc/15/48/31/215154831.db2.gz UPPZEORABYUCHR-QAETUUGQSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332460394 215155711 /nfs/dbraw/zinc/15/57/11/215155711.db2.gz HPKOKXUHIJDLEJ-RDHHWEPZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1=CC[NH+](C)CC1 ZINC000332885073 215216543 /nfs/dbraw/zinc/21/65/43/215216543.db2.gz QSJQLLSRMTWDNP-NVXWUHKLSA-N 2 1 363.506 0.585 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333300817 215260950 /nfs/dbraw/zinc/26/09/50/215260950.db2.gz IVLJLJJCXNISNC-FXAWDEMLSA-N 2 1 372.517 0.987 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000333373721 215272733 /nfs/dbraw/zinc/27/27/33/215272733.db2.gz MVWYVOQDUUMUPG-BRWVUGGUSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333482495 215286697 /nfs/dbraw/zinc/28/66/97/215286697.db2.gz FTLVKFGRJZWCKJ-ZXZQKFIBSA-N 2 1 350.507 0.848 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333482495 215286702 /nfs/dbraw/zinc/28/67/02/215286702.db2.gz FTLVKFGRJZWCKJ-ZXZQKFIBSA-N 2 1 350.507 0.848 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000333488881 215288171 /nfs/dbraw/zinc/28/81/71/215288171.db2.gz IPLQECFJTHXMNG-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000333492690 215288335 /nfs/dbraw/zinc/28/83/35/215288335.db2.gz VCYJGKJPDWIDRK-HZPDHXFCSA-N 2 1 374.489 0.709 20 0 FCADMP CC(C)(CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000333659520 215306509 /nfs/dbraw/zinc/30/65/09/215306509.db2.gz WUPZEHLRPRQWGC-INIZCTEOSA-N 2 1 365.522 0.714 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000333692040 215309470 /nfs/dbraw/zinc/30/94/70/215309470.db2.gz PUEMFVUORQRJPS-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333809898 215321554 /nfs/dbraw/zinc/32/15/54/215321554.db2.gz JBJHETUIAYEXCA-OAHLLOKOSA-N 2 1 351.495 0.596 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000333815074 215321732 /nfs/dbraw/zinc/32/17/32/215321732.db2.gz JXWWVZZFZVEYBP-BRWVUGGUSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H]1C ZINC000333860697 215325520 /nfs/dbraw/zinc/32/55/20/215325520.db2.gz RZEOFCVSEPVVEP-MMNPAVHPSA-N 2 1 365.522 0.757 20 0 FCADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333945757 215332921 /nfs/dbraw/zinc/33/29/21/215332921.db2.gz TYVKCGFHBOQLFX-QGZVFWFLSA-N 2 1 363.506 0.467 20 0 FCADMP CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC000285795956 213397170 /nfs/dbraw/zinc/39/71/70/213397170.db2.gz CUAVYTBSNQAOJY-CVEARBPZSA-N 2 1 372.473 0.218 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H](C)[N@@H+]1CCO ZINC000334000379 215335762 /nfs/dbraw/zinc/33/57/62/215335762.db2.gz RELUAWDGGFHNBM-MVJTYMMSSA-N 2 1 368.522 0.461 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000285540690 213357111 /nfs/dbraw/zinc/35/71/11/213357111.db2.gz BVRGNLDAVVIFGY-HNNXBMFYSA-N 2 1 366.531 0.891 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000285213958 213303713 /nfs/dbraw/zinc/30/37/13/213303713.db2.gz WGJAPURSPFRMQQ-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000285213958 213303717 /nfs/dbraw/zinc/30/37/17/213303717.db2.gz WGJAPURSPFRMQQ-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000285213958 213303721 /nfs/dbraw/zinc/30/37/21/213303721.db2.gz WGJAPURSPFRMQQ-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000284885721 213241238 /nfs/dbraw/zinc/24/12/38/213241238.db2.gz GUKHINBXBTURNZ-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CC1 ZINC000284885721 213241243 /nfs/dbraw/zinc/24/12/43/213241243.db2.gz GUKHINBXBTURNZ-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC000284885721 213241247 /nfs/dbraw/zinc/24/12/47/213241247.db2.gz GUKHINBXBTURNZ-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000284702795 213200615 /nfs/dbraw/zinc/20/06/15/213200615.db2.gz WUPQPVFWOHKRBB-SFHVURJKSA-N 2 1 358.486 0.714 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000284702795 213200616 /nfs/dbraw/zinc/20/06/16/213200616.db2.gz WUPQPVFWOHKRBB-SFHVURJKSA-N 2 1 358.486 0.714 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1ccco1 ZINC000284407257 213131342 /nfs/dbraw/zinc/13/13/42/213131342.db2.gz NLJBGTJNHXXCFW-HNNXBMFYSA-N 2 1 350.463 0.989 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)c1ccco1 ZINC000284407257 213131345 /nfs/dbraw/zinc/13/13/45/213131345.db2.gz NLJBGTJNHXXCFW-HNNXBMFYSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356331 213119433 /nfs/dbraw/zinc/11/94/33/213119433.db2.gz AYAWPXQNGZFPAG-KBPBESRZSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356331 213119436 /nfs/dbraw/zinc/11/94/36/213119436.db2.gz AYAWPXQNGZFPAG-KBPBESRZSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284322074 213110197 /nfs/dbraw/zinc/11/01/97/213110197.db2.gz JKSSHUXLCFQXAI-ILXRZTDVSA-N 2 1 350.463 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284322074 213110201 /nfs/dbraw/zinc/11/02/01/213110201.db2.gz JKSSHUXLCFQXAI-ILXRZTDVSA-N 2 1 350.463 0.797 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000284124977 213079780 /nfs/dbraw/zinc/07/97/80/213079780.db2.gz RNCOALQBPRMBOR-FGTMMUONSA-N 2 1 358.486 0.958 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284115782 213077844 /nfs/dbraw/zinc/07/78/44/213077844.db2.gz NNBPSBCWLJYWMP-UHFFFAOYSA-N 2 1 364.490 0.449 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000283832721 213015318 /nfs/dbraw/zinc/01/53/18/213015318.db2.gz BLPJYFRGGFUIRG-HRCADAONSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000283832721 213015321 /nfs/dbraw/zinc/01/53/21/213015321.db2.gz BLPJYFRGGFUIRG-HRCADAONSA-N 2 1 362.474 0.941 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366595519 216002236 /nfs/dbraw/zinc/00/22/36/216002236.db2.gz GUDILJHSFNLXSD-RBSFLKMASA-N 2 1 353.429 0.884 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000413141243 237283433 /nfs/dbraw/zinc/28/34/33/237283433.db2.gz PGJVZFOOYHXTCN-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000413305097 237313021 /nfs/dbraw/zinc/31/30/21/237313021.db2.gz UCYGQMPQDSFPJD-INIZCTEOSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000413305097 237313031 /nfs/dbraw/zinc/31/30/31/237313031.db2.gz UCYGQMPQDSFPJD-INIZCTEOSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000413351923 237319971 /nfs/dbraw/zinc/31/99/71/237319971.db2.gz MLLWYAXAEJKSSU-JKSUJKDBSA-N 2 1 356.511 0.848 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000413606195 237363686 /nfs/dbraw/zinc/36/36/86/237363686.db2.gz KVCCSYOKDMSCAV-UHFFFAOYSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000413446121 237338582 /nfs/dbraw/zinc/33/85/82/237338582.db2.gz PCWVWURVGBTROG-HNNXBMFYSA-N 2 1 354.495 0.625 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000413446121 237338591 /nfs/dbraw/zinc/33/85/91/237338591.db2.gz PCWVWURVGBTROG-HNNXBMFYSA-N 2 1 354.495 0.625 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367195815 216089990 /nfs/dbraw/zinc/08/99/90/216089990.db2.gz LAEZFIZRAMVMDY-UYAOXDASSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367195815 216089993 /nfs/dbraw/zinc/08/99/93/216089993.db2.gz LAEZFIZRAMVMDY-UYAOXDASSA-N 2 1 371.529 0.703 20 0 FCADMP CC(C)Nc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000367340008 216108427 /nfs/dbraw/zinc/10/84/27/216108427.db2.gz RZRPHZIFONWSCA-HNNXBMFYSA-N 2 1 363.510 0.395 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000246162299 209381085 /nfs/dbraw/zinc/38/10/85/209381085.db2.gz CUWLFURKIOKSHO-IRXDYDNUSA-N 2 1 370.563 0.335 20 0 FCADMP C[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237572747 209353471 /nfs/dbraw/zinc/35/34/71/209353471.db2.gz VZQJWYFBTIOVQT-HXUWFJFHSA-N 2 1 358.486 0.837 20 0 FCADMP C[C@H](CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000237458866 209352117 /nfs/dbraw/zinc/35/21/17/209352117.db2.gz BAZUUWGBODHEIJ-GDBMZVCRSA-N 2 1 355.504 0.775 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237030202 209346534 /nfs/dbraw/zinc/34/65/34/209346534.db2.gz OSBCEYZVDAKJCN-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237030202 209346536 /nfs/dbraw/zinc/34/65/36/209346536.db2.gz OSBCEYZVDAKJCN-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368575579 216265863 /nfs/dbraw/zinc/26/58/63/216265863.db2.gz IWUYONXUNBYQQN-FGTMMUONSA-N 2 1 350.507 0.260 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)CC1=O ZINC000368598135 216268881 /nfs/dbraw/zinc/26/88/81/216268881.db2.gz MQCUDTUSXGLMGN-ZNFSNMQZSA-N 2 1 350.507 0.822 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368992166 216330104 /nfs/dbraw/zinc/33/01/04/216330104.db2.gz MDGITJPZOZXKGZ-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H]1CO ZINC000190357693 209270630 /nfs/dbraw/zinc/27/06/30/209270630.db2.gz HFSOOBKPKIKWHZ-DLBZAZTESA-N 2 1 353.507 0.840 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401136 216395897 /nfs/dbraw/zinc/39/58/97/216395897.db2.gz KQDKZSLROAWSLZ-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402719 216397369 /nfs/dbraw/zinc/39/73/69/216397369.db2.gz RWEUJUOMCSQJAJ-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000369402719 216397372 /nfs/dbraw/zinc/39/73/72/216397372.db2.gz RWEUJUOMCSQJAJ-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000369402719 216397375 /nfs/dbraw/zinc/39/73/75/216397375.db2.gz RWEUJUOMCSQJAJ-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP COCCO[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000189738376 209259086 /nfs/dbraw/zinc/25/90/86/209259086.db2.gz OLUUEFSNTZCRRL-QGZVFWFLSA-N 2 1 362.474 0.858 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000189562884 209255312 /nfs/dbraw/zinc/25/53/12/209255312.db2.gz XDGBEVNGEHYRCI-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000189442156 209251969 /nfs/dbraw/zinc/25/19/69/209251969.db2.gz PDXRXYCXVVLJGW-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCCOCC2)CC1=O ZINC000189442156 209251971 /nfs/dbraw/zinc/25/19/71/209251971.db2.gz PDXRXYCXVVLJGW-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCCOCC2)CC1=O ZINC000189442156 209251974 /nfs/dbraw/zinc/25/19/74/209251974.db2.gz PDXRXYCXVVLJGW-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CN(Cc1cc(=O)n(C)c(=O)n1C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188287876 209227752 /nfs/dbraw/zinc/22/77/52/209227752.db2.gz TYBRTIDLOAUNKP-HXUWFJFHSA-N 2 1 372.469 0.153 20 0 FCADMP CN(CC(=O)NC1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188303017 209227053 /nfs/dbraw/zinc/22/70/53/209227053.db2.gz LWLVAICGGYQHTM-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CC1 ZINC000187261467 209208655 /nfs/dbraw/zinc/20/86/55/209208655.db2.gz NROCIUXTVIBOMC-QGZVFWFLSA-N 2 1 360.502 0.967 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CC1 ZINC000187261467 209208657 /nfs/dbraw/zinc/20/86/57/209208657.db2.gz NROCIUXTVIBOMC-QGZVFWFLSA-N 2 1 360.502 0.967 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000187075025 209203828 /nfs/dbraw/zinc/20/38/28/209203828.db2.gz MEASSFNIXLUWAW-UHFFFAOYSA-N 2 1 356.511 0.635 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000185689273 209179941 /nfs/dbraw/zinc/17/99/41/209179941.db2.gz WDDLAWOZKICYKG-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000185689273 209179943 /nfs/dbraw/zinc/17/99/43/209179943.db2.gz WDDLAWOZKICYKG-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414665770 245311861 /nfs/dbraw/zinc/31/18/61/245311861.db2.gz VXTWLRHIKAIMOI-GOSISDBHSA-N 2 1 374.485 0.744 20 0 FCADMP CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739812 245319170 /nfs/dbraw/zinc/31/91/70/245319170.db2.gz QHDXNFYPOSKVQD-INIZCTEOSA-N 2 1 364.465 0.961 20 0 FCADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000414798504 245320869 /nfs/dbraw/zinc/32/08/69/245320869.db2.gz JKELVRAOWKQSFP-INIZCTEOSA-N 2 1 363.458 0.760 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000414959775 245337151 /nfs/dbraw/zinc/33/71/51/245337151.db2.gz XPBWSAQQKOTOTA-MRXNPFEDSA-N 2 1 360.458 0.525 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954528 245337357 /nfs/dbraw/zinc/33/73/57/245337357.db2.gz LIYQITMXISPMEB-MLGOLLRUSA-N 2 1 358.442 0.706 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931567871 674120068 /nfs/dbraw/zinc/12/00/68/674120068.db2.gz ZGLCASSHLCUCRD-CABCVRRESA-N 2 1 350.467 0.508 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931567876 674120110 /nfs/dbraw/zinc/12/01/10/674120110.db2.gz ZGLCASSHLCUCRD-LSDHHAIUSA-N 2 1 350.467 0.508 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1COCCN1C1CCCC1 ZINC000373526404 217028948 /nfs/dbraw/zinc/02/89/48/217028948.db2.gz CRHXRPSEWZIPEU-MSOLQXFVSA-N 2 1 353.507 0.983 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183375784 209145982 /nfs/dbraw/zinc/14/59/82/209145982.db2.gz DTOKTRNNFLXFLE-CVEARBPZSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177268 217366062 /nfs/dbraw/zinc/36/60/62/217366062.db2.gz GNKNZTXLXIXPEG-MRXNPFEDSA-N 2 1 356.492 0.708 20 0 FCADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177268 217366065 /nfs/dbraw/zinc/36/60/65/217366065.db2.gz GNKNZTXLXIXPEG-MRXNPFEDSA-N 2 1 356.492 0.708 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418916669 245908912 /nfs/dbraw/zinc/90/89/12/245908912.db2.gz XGRCXOACJTXUQR-IUODEOHRSA-N 2 1 370.856 0.924 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000419128814 246005613 /nfs/dbraw/zinc/00/56/13/246005613.db2.gz XEGRWUVINYEYJJ-DLBZAZTESA-N 2 1 367.538 0.008 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000419117985 245993593 /nfs/dbraw/zinc/99/35/93/245993593.db2.gz MZDGTZPDXCPAEG-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000419159307 246024349 /nfs/dbraw/zinc/02/43/49/246024349.db2.gz XBIVJSNYWPTZDK-BRWVUGGUSA-N 2 1 352.523 0.914 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161601 246025497 /nfs/dbraw/zinc/02/54/97/246025497.db2.gz DNICLTMXBJDUDG-QZTJIDSGSA-N 2 1 374.485 0.343 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419131244 246006341 /nfs/dbraw/zinc/00/63/41/246006341.db2.gz CEBWACUFRYYGCZ-ISTRZQFTSA-N 2 1 360.433 0.432 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419133040 246006903 /nfs/dbraw/zinc/00/69/03/246006903.db2.gz IHDRNMKDKYZFHV-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419131327 246007675 /nfs/dbraw/zinc/00/76/75/246007675.db2.gz GQEZLIVTOOMXCX-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000419139435 246010684 /nfs/dbraw/zinc/01/06/84/246010684.db2.gz URSQFAPZGARTDY-MSOLQXFVSA-N 2 1 374.485 0.343 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419143069 246013860 /nfs/dbraw/zinc/01/38/60/246013860.db2.gz YRQXFQFSSNACNA-WMZOPIPTSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144910 246014038 /nfs/dbraw/zinc/01/40/38/246014038.db2.gz GZUPEWFPOSLERJ-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162344 246026638 /nfs/dbraw/zinc/02/66/38/246026638.db2.gz GZYNPTSGSNLZPA-MSOLQXFVSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166567 246027976 /nfs/dbraw/zinc/02/79/76/246027976.db2.gz HLYNYKBLXIJNFY-AEFFLSMTSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166568 246028187 /nfs/dbraw/zinc/02/81/87/246028187.db2.gz HLYNYKBLXIJNFY-FUHWJXTLSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166925 246030396 /nfs/dbraw/zinc/03/03/96/246030396.db2.gz ICLRPPBDAHTIFL-NEWSRXKRSA-N 2 1 372.513 0.863 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419170901 246032687 /nfs/dbraw/zinc/03/26/87/246032687.db2.gz OGMZTROLVAXXRI-WIYYLYMNSA-N 2 1 372.513 0.865 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000419175748 246035469 /nfs/dbraw/zinc/03/54/69/246035469.db2.gz XZYHDHUPKYRIML-LJQANCHMSA-N 2 1 372.513 0.865 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000419183420 246038681 /nfs/dbraw/zinc/03/86/81/246038681.db2.gz MHPMIWMQGXAIKW-CVEARBPZSA-N 2 1 352.479 0.086 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419213866 246059271 /nfs/dbraw/zinc/05/92/71/246059271.db2.gz WWEWVERWRDYZPY-LBPRGKRZSA-N 2 1 352.401 0.493 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419213866 246059275 /nfs/dbraw/zinc/05/92/75/246059275.db2.gz WWEWVERWRDYZPY-LBPRGKRZSA-N 2 1 352.401 0.493 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419216236 246060445 /nfs/dbraw/zinc/06/04/45/246060445.db2.gz ZZRRVPFCLZHXTF-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223471 246060929 /nfs/dbraw/zinc/06/09/29/246060929.db2.gz DAMBXHVHIMUISW-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223473 246061051 /nfs/dbraw/zinc/06/10/51/246061051.db2.gz DAMBXHVHIMUISW-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419219197 246062322 /nfs/dbraw/zinc/06/23/22/246062322.db2.gz SZURINKIGRCFGW-UHFFFAOYSA-N 2 1 356.417 0.853 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419219197 246062326 /nfs/dbraw/zinc/06/23/26/246062326.db2.gz SZURINKIGRCFGW-UHFFFAOYSA-N 2 1 356.417 0.853 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225461 246064417 /nfs/dbraw/zinc/06/44/17/246064417.db2.gz HBQNBHJRRBVQDW-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419225189 246065902 /nfs/dbraw/zinc/06/59/02/246065902.db2.gz GRWNGDICVXLCKE-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226542 246066029 /nfs/dbraw/zinc/06/60/29/246066029.db2.gz JEUZHPCFCJYTIR-NQYYFHDYSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230833 246067515 /nfs/dbraw/zinc/06/75/15/246067515.db2.gz IYKIWJSFERRLOJ-OAGGEKHMSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230833 246067521 /nfs/dbraw/zinc/06/75/21/246067521.db2.gz IYKIWJSFERRLOJ-OAGGEKHMSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419199676 246047827 /nfs/dbraw/zinc/04/78/27/246047827.db2.gz DMRRCSLPODIYGK-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419205311 246053373 /nfs/dbraw/zinc/05/33/73/246053373.db2.gz JWBSVZXACJGLMR-DAYGRLMNSA-N 2 1 374.485 0.390 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419208381 246054693 /nfs/dbraw/zinc/05/46/93/246054693.db2.gz ADUNUXAHSMSJAI-CYBMUJFWSA-N 2 1 352.504 0.727 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419208381 246054698 /nfs/dbraw/zinc/05/46/98/246054698.db2.gz ADUNUXAHSMSJAI-CYBMUJFWSA-N 2 1 352.504 0.727 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]21 ZINC000419228623 246068152 /nfs/dbraw/zinc/06/81/52/246068152.db2.gz MOHKARMAIDUCAQ-BRSBDYLESA-N 2 1 362.518 0.953 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000419227842 246068697 /nfs/dbraw/zinc/06/86/97/246068697.db2.gz LJNWLKGWHZBZKU-YESZJQIVSA-N 2 1 366.506 0.332 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419235358 246070607 /nfs/dbraw/zinc/07/06/07/246070607.db2.gz YVQALCBVNNIEJG-SJORKVTESA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419232080 246070813 /nfs/dbraw/zinc/07/08/13/246070813.db2.gz KGUFOKHTWCCFPB-VHDGCEQUSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419232080 246070818 /nfs/dbraw/zinc/07/08/18/246070818.db2.gz KGUFOKHTWCCFPB-VHDGCEQUSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419236786 246073395 /nfs/dbraw/zinc/07/33/95/246073395.db2.gz OCWWWGSZORGHQX-GPMSIDNRSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419236786 246073399 /nfs/dbraw/zinc/07/33/99/246073399.db2.gz OCWWWGSZORGHQX-GPMSIDNRSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000419239207 246074005 /nfs/dbraw/zinc/07/40/05/246074005.db2.gz QJWPNXJLVLZBNI-GFCCVEGCSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000419239207 246074009 /nfs/dbraw/zinc/07/40/09/246074009.db2.gz QJWPNXJLVLZBNI-GFCCVEGCSA-N 2 1 350.488 0.561 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)[nH+]c1 ZINC000419301352 246091904 /nfs/dbraw/zinc/09/19/04/246091904.db2.gz NPDRVVLKADJOOF-MRXNPFEDSA-N 2 1 359.474 0.733 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329507 246100957 /nfs/dbraw/zinc/10/09/57/246100957.db2.gz GPNPAAFLOHSXLU-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419385525 246127112 /nfs/dbraw/zinc/12/71/12/246127112.db2.gz CMHPXUSPEGVTIW-ZWKOTPCHSA-N 2 1 356.470 0.229 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419385525 246127117 /nfs/dbraw/zinc/12/71/17/246127117.db2.gz CMHPXUSPEGVTIW-ZWKOTPCHSA-N 2 1 356.470 0.229 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419391311 246129372 /nfs/dbraw/zinc/12/93/72/246129372.db2.gz JSOYQVKBTIUVPY-ZWKOTPCHSA-N 2 1 374.485 0.126 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000419360262 246115943 /nfs/dbraw/zinc/11/59/43/246115943.db2.gz SCNLAMFSIVWXGH-DOTOQJQBSA-N 2 1 374.485 0.817 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419412021 246148187 /nfs/dbraw/zinc/14/81/87/246148187.db2.gz CGNGUAIHAVFGFW-RDJZCZTQSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419417030 246149000 /nfs/dbraw/zinc/14/90/00/246149000.db2.gz HQBWCHMPYHEAOY-YVSFHVDLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419417310 246149041 /nfs/dbraw/zinc/14/90/41/246149041.db2.gz XGPQVZKUPIKZDU-UBHSHLNASA-N 2 1 368.503 0.696 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419415677 246149152 /nfs/dbraw/zinc/14/91/52/246149152.db2.gz GEQNVEJGUIGSMQ-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419416557 246150325 /nfs/dbraw/zinc/15/03/25/246150325.db2.gz WIJJIOXEHACVAX-IAGOWNOFSA-N 2 1 368.522 0.722 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419388377 246131183 /nfs/dbraw/zinc/13/11/83/246131183.db2.gz DMWZQICOOHHOMT-DSLXNQLJSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399361 246134051 /nfs/dbraw/zinc/13/40/51/246134051.db2.gz JHLQWRMAFPYNJO-QGTPRVQTSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399686 246135574 /nfs/dbraw/zinc/13/55/74/246135574.db2.gz KDJJWDOCCJWQFG-JQHSSLGASA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419404338 246138129 /nfs/dbraw/zinc/13/81/29/246138129.db2.gz FXLZXXKXTFZFEC-FLXSYLCISA-N 2 1 364.534 0.975 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000419416039 246150720 /nfs/dbraw/zinc/15/07/20/246150720.db2.gz VRUNYJLFWLNGDE-RBSFLKMASA-N 2 1 368.503 0.432 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000419408075 246141448 /nfs/dbraw/zinc/14/14/48/246141448.db2.gz LKGJDTRJDJQOFH-SNPRPXQTSA-N 2 1 352.504 0.910 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000419407267 246141632 /nfs/dbraw/zinc/14/16/32/246141632.db2.gz JYLXNGTYDFLZJU-SLBVQIDZSA-N 2 1 364.515 0.971 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409188 246142783 /nfs/dbraw/zinc/14/27/83/246142783.db2.gz DTRLBMYAWNUULY-OIISXLGYSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409188 246142785 /nfs/dbraw/zinc/14/27/85/246142785.db2.gz DTRLBMYAWNUULY-OIISXLGYSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419408262 246142983 /nfs/dbraw/zinc/14/29/83/246142983.db2.gz LRBFLVKUUZSPPW-QZTJIDSGSA-N 2 1 358.486 0.808 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000419411963 246145616 /nfs/dbraw/zinc/14/56/16/246145616.db2.gz QEXTZPYAAYWHFR-NWANDNLSSA-N 2 1 350.488 0.535 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000419426762 246157582 /nfs/dbraw/zinc/15/75/82/246157582.db2.gz QYTJDXNPZUIYBS-UHFFFAOYSA-N 2 1 358.486 0.748 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419454411 246171441 /nfs/dbraw/zinc/17/14/41/246171441.db2.gz TYUSQOUVMSXJIT-MRXNPFEDSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419448926 246169812 /nfs/dbraw/zinc/16/98/12/246169812.db2.gz JHYQAUHDDCUMNR-IAGOWNOFSA-N 2 1 373.501 0.121 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000419420347 246153644 /nfs/dbraw/zinc/15/36/44/246153644.db2.gz ZYANQZBWKPZJJT-QRQLOZEOSA-N 2 1 370.497 0.760 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419499835 246182990 /nfs/dbraw/zinc/18/29/90/246182990.db2.gz CQOMBYHXSZDLGR-HNNXBMFYSA-N 2 1 350.463 0.957 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419506477 246185762 /nfs/dbraw/zinc/18/57/62/246185762.db2.gz MJQDFRQAXRMYRE-RYRKJORJSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513388 246187207 /nfs/dbraw/zinc/18/72/07/246187207.db2.gz MGFWLSZYEZCUGM-JKSUJKDBSA-N 2 1 362.474 0.957 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513678 246188842 /nfs/dbraw/zinc/18/88/42/246188842.db2.gz MPONIKNFTBVSTQ-HOTGVXAUSA-N 2 1 362.474 0.957 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419530531 246193443 /nfs/dbraw/zinc/19/34/43/246193443.db2.gz DVEIZNWHXSMDRI-INIZCTEOSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419474836 246176107 /nfs/dbraw/zinc/17/61/07/246176107.db2.gz CQCBFYVTEUTMOY-QFBILLFUSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419530600 246193000 /nfs/dbraw/zinc/19/30/00/246193000.db2.gz JLEKPCSVOZQABT-BGTYHANMSA-N 2 1 356.470 0.301 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419474091 246177223 /nfs/dbraw/zinc/17/72/23/246177223.db2.gz BMJHUEIPBZFDDT-VQIMIIECSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419482365 246177910 /nfs/dbraw/zinc/17/79/10/246177910.db2.gz QIUYCISVWYZTGU-IXDOHACOSA-N 2 1 368.522 0.355 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419481872 246178626 /nfs/dbraw/zinc/17/86/26/246178626.db2.gz PVLJIEBFGXJGKN-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419532195 246194461 /nfs/dbraw/zinc/19/44/61/246194461.db2.gz MSHXZVIGIFNCIQ-NJAFHUGGSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419532143 246195306 /nfs/dbraw/zinc/19/53/06/246195306.db2.gz MIDHOYUFUURAKV-LISAXSMJSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419539280 246197254 /nfs/dbraw/zinc/19/72/54/246197254.db2.gz YJBJFKFMNVCITI-CYGHRXIMSA-N 2 1 358.486 0.819 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419539904 246198083 /nfs/dbraw/zinc/19/80/83/246198083.db2.gz QCDDRKPIPLMFFK-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419635242 246224364 /nfs/dbraw/zinc/22/43/64/246224364.db2.gz CRRGHEUTXCSWTA-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1 ZINC000419651551 246231303 /nfs/dbraw/zinc/23/13/03/246231303.db2.gz OZKVVXWNUHESQT-LBPRGKRZSA-N 2 1 356.417 0.942 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)C1CCCC1 ZINC000419697705 246254826 /nfs/dbraw/zinc/25/48/26/246254826.db2.gz RFRAIFKPIVAUSO-UHFFFAOYSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419709952 246263443 /nfs/dbraw/zinc/26/34/43/246263443.db2.gz PSBPWWZLDBZZJS-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758237 246286999 /nfs/dbraw/zinc/28/69/99/246286999.db2.gz JQGJVKKZLYKODJ-UKRRQHHQSA-N 2 1 350.438 0.569 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419761531 246289259 /nfs/dbraw/zinc/28/92/59/246289259.db2.gz KJKAWXRSXVXVMU-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799910 246299030 /nfs/dbraw/zinc/29/90/30/246299030.db2.gz FRSUOWJDZDLHLX-HNNXBMFYSA-N 2 1 366.506 0.476 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419800650 246300347 /nfs/dbraw/zinc/30/03/47/246300347.db2.gz IHRDMEQMEUUMFJ-INIZCTEOSA-N 2 1 350.507 0.955 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419804382 246301599 /nfs/dbraw/zinc/30/15/99/246301599.db2.gz DBUWJRXOWHLORH-OWCLPIDISA-N 2 1 360.458 0.743 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1CCOC ZINC000419812238 246303280 /nfs/dbraw/zinc/30/32/80/246303280.db2.gz YZHYEOJHWGYYEK-INIZCTEOSA-N 2 1 368.522 0.724 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1CCOC ZINC000419812238 246303283 /nfs/dbraw/zinc/30/32/83/246303283.db2.gz YZHYEOJHWGYYEK-INIZCTEOSA-N 2 1 368.522 0.724 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419820553 246304955 /nfs/dbraw/zinc/30/49/55/246304955.db2.gz NZEVZSXFJXUFBU-OAHLLOKOSA-N 2 1 350.463 0.991 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419820550 246305869 /nfs/dbraw/zinc/30/58/69/246305869.db2.gz NZEVZSXFJXUFBU-HNNXBMFYSA-N 2 1 350.463 0.991 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419725255 246273012 /nfs/dbraw/zinc/27/30/12/246273012.db2.gz RLSXNERHPLJPGN-NSHDSACASA-N 2 1 354.401 0.509 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419872779 246340938 /nfs/dbraw/zinc/34/09/38/246340938.db2.gz FKGSOHFPCHWHDM-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000419873101 246341182 /nfs/dbraw/zinc/34/11/82/246341182.db2.gz UTZBABIRYYMDNO-FGTMMUONSA-N 2 1 356.470 0.430 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419837870 246314403 /nfs/dbraw/zinc/31/44/03/246314403.db2.gz XBRVMHYWIISAKL-INIZCTEOSA-N 2 1 367.538 0.154 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419844372 246315538 /nfs/dbraw/zinc/31/55/38/246315538.db2.gz OAGRAZGFCWOCLI-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP CCN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419845939 246318237 /nfs/dbraw/zinc/31/82/37/246318237.db2.gz FWYIFABACLHGSM-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419924894 246371632 /nfs/dbraw/zinc/37/16/32/246371632.db2.gz NQLFTAKVFBOSCA-RTBURBONSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419932195 246374632 /nfs/dbraw/zinc/37/46/32/246374632.db2.gz FCKKEKJSLBQEQA-VQHPVUNQSA-N 2 1 366.506 0.345 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419889303 246352957 /nfs/dbraw/zinc/35/29/57/246352957.db2.gz SAJFCZSHKBYDLG-WIYYLYMNSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419890575 246354019 /nfs/dbraw/zinc/35/40/19/246354019.db2.gz TVPQXKDGEKIDNS-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000419892356 246354340 /nfs/dbraw/zinc/35/43/40/246354340.db2.gz JJQKTUBBQQRKJE-HRCADAONSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000419892356 246354343 /nfs/dbraw/zinc/35/43/43/246354343.db2.gz JJQKTUBBQQRKJE-HRCADAONSA-N 2 1 354.495 0.332 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419963486 246391556 /nfs/dbraw/zinc/39/15/56/246391556.db2.gz ZBZJGEDYGNQUNG-CAOSSQGBSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419963486 246391569 /nfs/dbraw/zinc/39/15/69/246391569.db2.gz ZBZJGEDYGNQUNG-CAOSSQGBSA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000377802006 217598186 /nfs/dbraw/zinc/59/81/86/217598186.db2.gz DQRYYJFYSFOJKU-ZJPYXAASSA-N 2 1 353.507 0.912 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186418 246518483 /nfs/dbraw/zinc/51/84/83/246518483.db2.gz CLGXPVAPIOZYBA-OKYOBFRVSA-N 2 1 370.497 0.820 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C2CC3CC(C2)CC1C3 ZINC000420205222 246527892 /nfs/dbraw/zinc/52/78/92/246527892.db2.gz TVUFRUFZFUJALS-UHFFFAOYSA-N 2 1 374.529 0.810 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423104453 246962790 /nfs/dbraw/zinc/96/27/90/246962790.db2.gz BKUZHERJEKNWBR-AWEZNQCLSA-N 2 1 350.488 0.385 20 0 FCADMP COC[C@@]1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000423360520 247011109 /nfs/dbraw/zinc/01/11/09/247011109.db2.gz WCAUTRFCJGOTFO-LJQANCHMSA-N 2 1 360.458 0.639 20 0 FCADMP FC(F)(F)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380575 247016563 /nfs/dbraw/zinc/01/65/63/247016563.db2.gz HENLRVUVWVQMCY-KBXIAJHMSA-N 2 1 350.429 0.569 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380575 247016570 /nfs/dbraw/zinc/01/65/70/247016570.db2.gz HENLRVUVWVQMCY-KBXIAJHMSA-N 3 1 350.429 0.569 20 0 FCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000423390936 247017490 /nfs/dbraw/zinc/01/74/90/247017490.db2.gz OVWWFEVBGMNRMN-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@H]1C ZINC000423406907 247020263 /nfs/dbraw/zinc/02/02/63/247020263.db2.gz ZIPPVSIXJNCQEY-PMPSAXMXSA-N 2 1 366.506 0.141 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[C@H]1C ZINC000423406907 247020268 /nfs/dbraw/zinc/02/02/68/247020268.db2.gz ZIPPVSIXJNCQEY-PMPSAXMXSA-N 2 1 366.506 0.141 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530551 247044741 /nfs/dbraw/zinc/04/47/41/247044741.db2.gz PPSHROWYMNRVNV-SJORKVTESA-N 2 1 367.538 0.199 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC[N@@H+]1CCOC ZINC000423532175 247045108 /nfs/dbraw/zinc/04/51/08/247045108.db2.gz UZECFWTWNCAESD-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC[N@H+]1CCOC ZINC000423532175 247045112 /nfs/dbraw/zinc/04/51/12/247045112.db2.gz UZECFWTWNCAESD-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423529936 247045218 /nfs/dbraw/zinc/04/52/18/247045218.db2.gz QPYHIWNASJYWCQ-VQIMIIECSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423529936 247045224 /nfs/dbraw/zinc/04/52/24/247045224.db2.gz QPYHIWNASJYWCQ-VQIMIIECSA-N 2 1 366.506 0.158 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423541961 247047220 /nfs/dbraw/zinc/04/72/20/247047220.db2.gz SNIQCJRXQDZPKY-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000423541961 247047225 /nfs/dbraw/zinc/04/72/25/247047225.db2.gz SNIQCJRXQDZPKY-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573311 247057479 /nfs/dbraw/zinc/05/74/79/247057479.db2.gz WBRGPNDVJSABML-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423607125 247072564 /nfs/dbraw/zinc/07/25/64/247072564.db2.gz IWVWHHVMYWMTDX-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423607125 247072569 /nfs/dbraw/zinc/07/25/69/247072569.db2.gz IWVWHHVMYWMTDX-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624805 247082104 /nfs/dbraw/zinc/08/21/04/247082104.db2.gz DQHMBSKYCNYVHZ-GHTZIAJQSA-N 2 1 370.497 0.918 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423643667 247090284 /nfs/dbraw/zinc/09/02/84/247090284.db2.gz CWKWWSYUHBWCPH-MSOLQXFVSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423643667 247090290 /nfs/dbraw/zinc/09/02/90/247090290.db2.gz CWKWWSYUHBWCPH-MSOLQXFVSA-N 2 1 358.486 0.440 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423648347 247091789 /nfs/dbraw/zinc/09/17/89/247091789.db2.gz ZSLZAOBYFKGWKX-LAUBAEHRSA-N 2 1 370.497 0.931 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000423649876 247092693 /nfs/dbraw/zinc/09/26/93/247092693.db2.gz TUMGMCMAUDWNOB-ROUUACIJSA-N 2 1 370.497 0.917 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423649877 247093269 /nfs/dbraw/zinc/09/32/69/247093269.db2.gz TUMGMCMAUDWNOB-ZWKOTPCHSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423652347 247094784 /nfs/dbraw/zinc/09/47/84/247094784.db2.gz NHCVIRTXGNBCTP-LSDHHAIUSA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423666896 247103499 /nfs/dbraw/zinc/10/34/99/247103499.db2.gz NATIRDXMNQVHIM-GOSISDBHSA-N 2 1 374.485 0.155 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423796943 247142216 /nfs/dbraw/zinc/14/22/16/247142216.db2.gz MHSZSJWLDDRNEM-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP [NH3+]C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000423972391 247156441 /nfs/dbraw/zinc/15/64/41/247156441.db2.gz ZNHBNQGWPQLBSY-IRXDYDNUSA-N 2 1 366.506 0.333 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000423703274 247115747 /nfs/dbraw/zinc/11/57/47/247115747.db2.gz BRVUCRQRSLYWON-NZSAHSFTSA-N 2 1 372.513 0.815 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000423703274 247115748 /nfs/dbraw/zinc/11/57/48/247115748.db2.gz BRVUCRQRSLYWON-NZSAHSFTSA-N 2 1 372.513 0.815 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423702225 247115930 /nfs/dbraw/zinc/11/59/30/247115930.db2.gz XXCHRLUSCODING-HOTGVXAUSA-N 2 1 368.522 0.532 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423703855 247117442 /nfs/dbraw/zinc/11/74/42/247117442.db2.gz LBJLCUYQAZNCNX-MOPGFXCFSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423703855 247117448 /nfs/dbraw/zinc/11/74/48/247117448.db2.gz LBJLCUYQAZNCNX-MOPGFXCFSA-N 2 1 372.513 0.830 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423707054 247118843 /nfs/dbraw/zinc/11/88/43/247118843.db2.gz CTDWGFWYSVMVSK-ZBFHGGJFSA-N 2 1 362.499 0.255 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@H]1C[NH3+] ZINC000423717646 247121868 /nfs/dbraw/zinc/12/18/68/247121868.db2.gz BFGWTVYLUAEWAD-HKUYNNGSSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423730587 247131287 /nfs/dbraw/zinc/13/12/87/247131287.db2.gz LIVCPDJZLDTXJQ-GOEBONIOSA-N 2 1 350.463 0.756 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423747784 247137642 /nfs/dbraw/zinc/13/76/42/247137642.db2.gz PZLYEEDWIHZODM-CVEARBPZSA-N 2 1 355.479 0.631 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000424287885 247195583 /nfs/dbraw/zinc/19/55/83/247195583.db2.gz RQRNTNQFKOXQLU-HNNXBMFYSA-N 2 1 353.488 0.684 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000424496728 247241802 /nfs/dbraw/zinc/24/18/02/247241802.db2.gz VHSZOYOFQRWIJO-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)CC[NH2+]CC2 ZINC000424501689 247243606 /nfs/dbraw/zinc/24/36/06/247243606.db2.gz FTPFWKAYBGBDDA-GJZGRUSLSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424470122 247229401 /nfs/dbraw/zinc/22/94/01/247229401.db2.gz AVAYPMVIPXGEQM-HYVNUMGLSA-N 2 1 364.494 0.357 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054675 247287827 /nfs/dbraw/zinc/28/78/27/247287827.db2.gz FQHKSUDMBIZZRG-XWTMOSNGSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1=O ZINC000425054675 247287831 /nfs/dbraw/zinc/28/78/31/247287831.db2.gz FQHKSUDMBIZZRG-XWTMOSNGSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000425054675 247287834 /nfs/dbraw/zinc/28/78/34/247287834.db2.gz FQHKSUDMBIZZRG-XWTMOSNGSA-N 2 1 362.518 0.872 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000424535311 247256058 /nfs/dbraw/zinc/25/60/58/247256058.db2.gz ACPVGSSBHIFFGA-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424542985 247258209 /nfs/dbraw/zinc/25/82/09/247258209.db2.gz JAIIGJVVRRPETE-RCCFBDPRSA-N 2 1 356.470 0.588 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000425380314 247327897 /nfs/dbraw/zinc/32/78/97/247327897.db2.gz BQECBKYHLLNAFM-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000425380314 247327900 /nfs/dbraw/zinc/32/79/00/247327900.db2.gz BQECBKYHLLNAFM-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000436045442 248029837 /nfs/dbraw/zinc/02/98/37/248029837.db2.gz APUPVQRHNHOQKW-AWEZNQCLSA-N 2 1 365.478 0.171 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442758721 248295798 /nfs/dbraw/zinc/29/57/98/248295798.db2.gz BOLNDVONTVEGNY-STQMWFEESA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442758721 248295803 /nfs/dbraw/zinc/29/58/03/248295803.db2.gz BOLNDVONTVEGNY-STQMWFEESA-N 2 1 351.447 0.998 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760302 248296050 /nfs/dbraw/zinc/29/60/50/248296050.db2.gz GGFYKVLESNFSAA-KGLIPLIRSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760302 248296054 /nfs/dbraw/zinc/29/60/54/248296054.db2.gz GGFYKVLESNFSAA-KGLIPLIRSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771850 248297382 /nfs/dbraw/zinc/29/73/82/248297382.db2.gz UNNRKVGBGSDXJG-FUHWJXTLSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771850 248297383 /nfs/dbraw/zinc/29/73/83/248297383.db2.gz UNNRKVGBGSDXJG-FUHWJXTLSA-N 2 1 372.513 0.935 20 0 FCADMP CNc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443522723 248330625 /nfs/dbraw/zinc/33/06/25/248330625.db2.gz MUWDGQXAERAMBN-NMWPEEMBSA-N 2 1 362.526 0.393 20 0 FCADMP CNc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443522723 248330627 /nfs/dbraw/zinc/33/06/27/248330627.db2.gz MUWDGQXAERAMBN-NMWPEEMBSA-N 2 1 362.526 0.393 20 0 FCADMP CNc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443522723 248330629 /nfs/dbraw/zinc/33/06/29/248330629.db2.gz MUWDGQXAERAMBN-NMWPEEMBSA-N 2 1 362.526 0.393 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000444847306 248369799 /nfs/dbraw/zinc/36/97/99/248369799.db2.gz KTMLHDXRNDOIQP-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000444847306 248369800 /nfs/dbraw/zinc/36/98/00/248369800.db2.gz KTMLHDXRNDOIQP-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)ccn1 ZINC000452380721 249315326 /nfs/dbraw/zinc/31/53/26/249315326.db2.gz UGVUYGRIBHQKTE-MRXNPFEDSA-N 2 1 350.463 0.599 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452801455 249332424 /nfs/dbraw/zinc/33/24/24/249332424.db2.gz YEJPBBYXKWWCEH-KRWDZBQOSA-N 2 1 353.507 0.985 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000453805828 249369988 /nfs/dbraw/zinc/36/99/88/249369988.db2.gz LVJLOIFBPMXCRO-QGZVFWFLSA-N 2 1 371.441 0.774 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270708019 211251411 /nfs/dbraw/zinc/25/14/11/211251411.db2.gz KLYOMTIZCBHWAC-MRXNPFEDSA-N 2 1 364.494 0.067 20 0 FCADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000470009097 250020657 /nfs/dbraw/zinc/02/06/57/250020657.db2.gz PBSKHHXHGDFKQV-OAHLLOKOSA-N 2 1 365.478 0.350 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470964223 250082538 /nfs/dbraw/zinc/08/25/38/250082538.db2.gz VUQDUICXLNKERD-QAPCUYQASA-N 2 1 350.507 0.729 20 0 FCADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976920 250083290 /nfs/dbraw/zinc/08/32/90/250083290.db2.gz MEKTZVRBZIRNJV-HNNXBMFYSA-N 2 1 374.489 0.097 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976920 250083292 /nfs/dbraw/zinc/08/32/92/250083292.db2.gz MEKTZVRBZIRNJV-HNNXBMFYSA-N 2 1 374.489 0.097 20 0 FCADMP Cn1c2ncn(CC[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976920 250083296 /nfs/dbraw/zinc/08/32/96/250083296.db2.gz MEKTZVRBZIRNJV-HNNXBMFYSA-N 2 1 374.489 0.097 20 0 FCADMP Cn1c2ncn(CC[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c2c(=O)n(C)c1=O ZINC000470976920 250083300 /nfs/dbraw/zinc/08/33/00/250083300.db2.gz MEKTZVRBZIRNJV-HNNXBMFYSA-N 2 1 374.489 0.097 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000471470803 250104150 /nfs/dbraw/zinc/10/41/50/250104150.db2.gz JYJZLWSSUSWUES-OWCLPIDISA-N 2 1 369.510 0.077 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000471651712 250113237 /nfs/dbraw/zinc/11/32/37/250113237.db2.gz GPVYCILMTGWFFR-GOSISDBHSA-N 2 1 364.490 0.631 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC2CCN(C(C)=O)CC2)C1 ZINC000472269363 250143756 /nfs/dbraw/zinc/14/37/56/250143756.db2.gz VFPLZQGUBQYJRO-SFHVURJKSA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(C)=O)CC2)C1 ZINC000472269363 250143760 /nfs/dbraw/zinc/14/37/60/250143760.db2.gz VFPLZQGUBQYJRO-SFHVURJKSA-N 2 1 368.522 0.546 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000480880874 250290479 /nfs/dbraw/zinc/29/04/79/250290479.db2.gz VWQHRRGMKZIZQK-UHFFFAOYSA-N 2 1 369.535 0.992 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000480880874 250290482 /nfs/dbraw/zinc/29/04/82/250290482.db2.gz VWQHRRGMKZIZQK-UHFFFAOYSA-N 2 1 369.535 0.992 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481067194 250310898 /nfs/dbraw/zinc/31/08/98/250310898.db2.gz BJEFDCKVBLSYKA-QGZVFWFLSA-N 2 1 357.568 0.749 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)C[C@@H]3CC[N@H+](C)C3)CC2)[nH+]1 ZINC000481693045 250350106 /nfs/dbraw/zinc/35/01/06/250350106.db2.gz CBNAISVFVYMWQM-MRXNPFEDSA-N 2 1 373.501 0.885 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH+]1 ZINC000481693045 250350108 /nfs/dbraw/zinc/35/01/08/250350108.db2.gz CBNAISVFVYMWQM-MRXNPFEDSA-N 2 1 373.501 0.885 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833397 250365986 /nfs/dbraw/zinc/36/59/86/250365986.db2.gz YNZZQAUUYKYNHV-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833397 250365992 /nfs/dbraw/zinc/36/59/92/250365992.db2.gz YNZZQAUUYKYNHV-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)CC2)[nH+]1 ZINC000481821004 250363272 /nfs/dbraw/zinc/36/32/72/250363272.db2.gz AXQHPSSEOXLARG-WMLDXEAASA-N 2 1 373.501 0.884 20 0 FCADMP O[C@@H](COc1ccccc1)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000482149051 250378047 /nfs/dbraw/zinc/37/80/47/250378047.db2.gz UNWCLGULOAHARB-LJQANCHMSA-N 2 1 363.502 0.766 20 0 FCADMP O[C@@H](COc1ccccc1)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000482149051 250378051 /nfs/dbraw/zinc/37/80/51/250378051.db2.gz UNWCLGULOAHARB-LJQANCHMSA-N 2 1 363.502 0.766 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413489060 532991403 /nfs/dbraw/zinc/99/14/03/532991403.db2.gz QXWBFZHCRNBGJW-JKSUJKDBSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+](C)C1 ZINC000413489060 532991408 /nfs/dbraw/zinc/99/14/08/532991408.db2.gz QXWBFZHCRNBGJW-JKSUJKDBSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+](C)C1 ZINC000413489060 532991410 /nfs/dbraw/zinc/99/14/10/532991410.db2.gz QXWBFZHCRNBGJW-JKSUJKDBSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@@H+](C)C1 ZINC000413068495 532994295 /nfs/dbraw/zinc/99/42/95/532994295.db2.gz XHYXGFRQCVZEOE-QGZVFWFLSA-N 2 1 362.474 0.994 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000069504670 208034277 /nfs/dbraw/zinc/03/42/77/208034277.db2.gz GAWGQPISFQRWLC-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961226 208123661 /nfs/dbraw/zinc/12/36/61/208123661.db2.gz PPRBVPQNXJZBCI-UXHICEINSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961226 208123667 /nfs/dbraw/zinc/12/36/67/208123667.db2.gz PPRBVPQNXJZBCI-UXHICEINSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961226 208123671 /nfs/dbraw/zinc/12/36/71/208123671.db2.gz PPRBVPQNXJZBCI-UXHICEINSA-N 2 1 374.529 0.766 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115825851 208327819 /nfs/dbraw/zinc/32/78/19/208327819.db2.gz COFUTGSMGYFPFV-OAHLLOKOSA-N 2 1 353.511 0.522 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115825851 208327824 /nfs/dbraw/zinc/32/78/24/208327824.db2.gz COFUTGSMGYFPFV-OAHLLOKOSA-N 2 1 353.511 0.522 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000119290280 208359140 /nfs/dbraw/zinc/35/91/40/208359140.db2.gz GKFGCRBCJVQBEQ-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000118868514 208351603 /nfs/dbraw/zinc/35/16/03/208351603.db2.gz AEDNHBOXEPYUDX-UHFFFAOYSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000120194896 208377430 /nfs/dbraw/zinc/37/74/30/208377430.db2.gz WYKVYXUYRCEJMA-OAHLLOKOSA-N 2 1 350.467 0.631 20 0 FCADMP C[N@@H+](CCCO)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000120748367 208390786 /nfs/dbraw/zinc/39/07/86/208390786.db2.gz NMACMIUGWVEWNN-UHFFFAOYSA-N 2 1 352.479 0.630 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412320027 533494143 /nfs/dbraw/zinc/49/41/43/533494143.db2.gz VEDMSMKRADMUDZ-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410475688 230096042 /nfs/dbraw/zinc/09/60/42/230096042.db2.gz NLFFZJJIKIUBAI-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410738297 230227834 /nfs/dbraw/zinc/22/78/34/230227834.db2.gz WEVNAXFWOGJQKK-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410738299 230228253 /nfs/dbraw/zinc/22/82/53/230228253.db2.gz WEVNAXFWOGJQKK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410870727 230285560 /nfs/dbraw/zinc/28/55/60/230285560.db2.gz PURDMGBAORJILZ-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000410939099 230316028 /nfs/dbraw/zinc/31/60/28/230316028.db2.gz QVMLUJHFKZHZBM-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000410939099 230316032 /nfs/dbraw/zinc/31/60/32/230316032.db2.gz QVMLUJHFKZHZBM-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410939099 230316034 /nfs/dbraw/zinc/31/60/34/230316034.db2.gz QVMLUJHFKZHZBM-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410939099 230316039 /nfs/dbraw/zinc/31/60/39/230316039.db2.gz QVMLUJHFKZHZBM-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000410954961 230323514 /nfs/dbraw/zinc/32/35/14/230323514.db2.gz QHNWFZFLOFLBTI-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000932946921 674230199 /nfs/dbraw/zinc/23/01/99/674230199.db2.gz KKVMMPHMQFTEMY-QGZVFWFLSA-N 2 1 366.531 0.809 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921615 488892988 /nfs/dbraw/zinc/89/29/88/488892988.db2.gz OTJCVRARSNBJCL-YJBOKZPZSA-N 2 1 363.506 0.940 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287714499 488897719 /nfs/dbraw/zinc/89/77/19/488897719.db2.gz JQNRJXXUITUNNW-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000364053235 488918660 /nfs/dbraw/zinc/91/86/60/488918660.db2.gz DAWXVLAPGADYNA-HRCADAONSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000364053235 488918663 /nfs/dbraw/zinc/91/86/63/488918663.db2.gz DAWXVLAPGADYNA-HRCADAONSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000364053235 488918667 /nfs/dbraw/zinc/91/86/67/488918667.db2.gz DAWXVLAPGADYNA-HRCADAONSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000364053235 488918670 /nfs/dbraw/zinc/91/86/70/488918670.db2.gz DAWXVLAPGADYNA-HRCADAONSA-N 2 1 368.478 0.128 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000364281680 488943827 /nfs/dbraw/zinc/94/38/27/488943827.db2.gz VWUYBTXANMCEAY-MOPGFXCFSA-N 2 1 360.502 0.812 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCCn2ccnc2)CCCO1 ZINC000288207121 488956465 /nfs/dbraw/zinc/95/64/65/488956465.db2.gz UDFXPQFGQFILSX-MRXNPFEDSA-N 2 1 365.478 0.349 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000041171255 487818618 /nfs/dbraw/zinc/81/86/18/487818618.db2.gz APWHHHIQFRGKGN-UHFFFAOYSA-N 2 1 361.490 0.758 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069423855 488372411 /nfs/dbraw/zinc/37/24/11/488372411.db2.gz JZJGEQMTHQLCDT-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069423855 488372412 /nfs/dbraw/zinc/37/24/12/488372412.db2.gz JZJGEQMTHQLCDT-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000069441532 488372639 /nfs/dbraw/zinc/37/26/39/488372639.db2.gz SNRLBHPSKYDCNB-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000069441532 488372640 /nfs/dbraw/zinc/37/26/40/488372640.db2.gz SNRLBHPSKYDCNB-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)C1 ZINC000073389408 488384496 /nfs/dbraw/zinc/38/44/96/488384496.db2.gz WFNAEVCEAHYDFU-HXUWFJFHSA-N 2 1 374.529 0.983 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)C1 ZINC000073389408 488384497 /nfs/dbraw/zinc/38/44/97/488384497.db2.gz WFNAEVCEAHYDFU-HXUWFJFHSA-N 2 1 374.529 0.983 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000073389408 488384498 /nfs/dbraw/zinc/38/44/98/488384498.db2.gz WFNAEVCEAHYDFU-HXUWFJFHSA-N 2 1 374.529 0.983 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000073389408 488384499 /nfs/dbraw/zinc/38/44/99/488384499.db2.gz WFNAEVCEAHYDFU-HXUWFJFHSA-N 2 1 374.529 0.983 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000074170986 488388788 /nfs/dbraw/zinc/38/87/88/488388788.db2.gz OHNICSBKGLRITQ-KRWDZBQOSA-N 2 1 369.554 0.765 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000074345304 488390947 /nfs/dbraw/zinc/39/09/47/488390947.db2.gz CXHHBBAABGQIDG-LSDHHAIUSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000074345304 488390949 /nfs/dbraw/zinc/39/09/49/488390949.db2.gz CXHHBBAABGQIDG-LSDHHAIUSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000074345304 488390951 /nfs/dbraw/zinc/39/09/51/488390951.db2.gz CXHHBBAABGQIDG-LSDHHAIUSA-N 2 1 351.495 0.357 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000074734261 488394048 /nfs/dbraw/zinc/39/40/48/488394048.db2.gz IQRJHRQKVHTZIA-SFHVURJKSA-N 2 1 356.511 0.491 20 0 FCADMP CC1C[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000185731479 488402620 /nfs/dbraw/zinc/40/26/20/488402620.db2.gz HHWXAJVABOWNLQ-XSLAGTTESA-N 2 1 364.534 0.785 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000192802686 488424688 /nfs/dbraw/zinc/42/46/88/488424688.db2.gz NHDZZQCMEKLBOA-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000078948006 488425977 /nfs/dbraw/zinc/42/59/77/488425977.db2.gz ICJLRFXNMLXSAZ-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000079615471 488430937 /nfs/dbraw/zinc/43/09/37/488430937.db2.gz CBNICRFIIZRPAI-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085361822 488451642 /nfs/dbraw/zinc/45/16/42/488451642.db2.gz QDBVMAGBFSFJMQ-AWEZNQCLSA-N 2 1 355.527 0.815 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000268899901 488455766 /nfs/dbraw/zinc/45/57/66/488455766.db2.gz SBLAPWRXWJMTCP-SFHVURJKSA-N 2 1 363.481 0.899 20 0 FCADMP CN1CCN(C)[C@@H](CNC(=O)N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000268899901 488455770 /nfs/dbraw/zinc/45/57/70/488455770.db2.gz SBLAPWRXWJMTCP-SFHVURJKSA-N 2 1 363.481 0.899 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000245468308 488464106 /nfs/dbraw/zinc/46/41/06/488464106.db2.gz SZSWBTGVHCVUQY-XHSDSOJGSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000245468308 488464107 /nfs/dbraw/zinc/46/41/07/488464107.db2.gz SZSWBTGVHCVUQY-XHSDSOJGSA-N 2 1 368.522 0.401 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000091619709 488466415 /nfs/dbraw/zinc/46/64/15/488466415.db2.gz OWQFYUSQUNXNCO-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000091619709 488466416 /nfs/dbraw/zinc/46/64/16/488466416.db2.gz OWQFYUSQUNXNCO-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000091619709 488466418 /nfs/dbraw/zinc/46/64/18/488466418.db2.gz OWQFYUSQUNXNCO-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000091619709 488466422 /nfs/dbraw/zinc/46/64/22/488466422.db2.gz OWQFYUSQUNXNCO-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000091619710 488466580 /nfs/dbraw/zinc/46/65/80/488466580.db2.gz OWQFYUSQUNXNCO-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000091619710 488466583 /nfs/dbraw/zinc/46/65/83/488466583.db2.gz OWQFYUSQUNXNCO-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000091619710 488466584 /nfs/dbraw/zinc/46/65/84/488466584.db2.gz OWQFYUSQUNXNCO-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000091619710 488466587 /nfs/dbraw/zinc/46/65/87/488466587.db2.gz OWQFYUSQUNXNCO-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092665944 488476018 /nfs/dbraw/zinc/47/60/18/488476018.db2.gz VKSRXMIMKARHQI-HZPDHXFCSA-N 2 1 363.506 0.074 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269251276 488482187 /nfs/dbraw/zinc/48/21/87/488482187.db2.gz PJYFODOWTVNSSS-QZTJIDSGSA-N 2 1 358.486 0.760 20 0 FCADMP Cc1cc(N2CC[C@H]([N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)n(C)n1 ZINC000247498900 488486320 /nfs/dbraw/zinc/48/63/20/488486320.db2.gz LNGVENHOMPSEAW-RDJZCZTQSA-N 2 1 363.506 0.858 20 0 FCADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000269294745 488487883 /nfs/dbraw/zinc/48/78/83/488487883.db2.gz MYJQPZFPAXXFBZ-SFHVURJKSA-N 2 1 361.490 0.479 20 0 FCADMP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000269301740 488489294 /nfs/dbraw/zinc/48/92/94/488489294.db2.gz QTHVTSWMOGSALL-QGZVFWFLSA-N 2 1 350.438 0.442 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000098034433 488494071 /nfs/dbraw/zinc/49/40/71/488494071.db2.gz KXNSFQFLRBPLHD-HRCADAONSA-N 2 1 367.538 0.862 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000248684384 488501024 /nfs/dbraw/zinc/50/10/24/488501024.db2.gz YKQUYBNZJKFEHF-HUUCEWRRSA-N 2 1 362.540 0.141 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000248684384 488501026 /nfs/dbraw/zinc/50/10/26/488501026.db2.gz YKQUYBNZJKFEHF-HUUCEWRRSA-N 2 1 362.540 0.141 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000103509917 488502415 /nfs/dbraw/zinc/50/24/15/488502415.db2.gz YZLLCCGVNIDDIT-UHFFFAOYSA-N 2 1 360.506 0.941 20 0 FCADMP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000104806659 488505622 /nfs/dbraw/zinc/50/56/22/488505622.db2.gz RYGIBHKNGOUBDT-HNNXBMFYSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@@H](C)O1 ZINC000249117459 488506820 /nfs/dbraw/zinc/50/68/20/488506820.db2.gz ONPCEVOVIQHBQQ-BRWVUGGUSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249363961 488508941 /nfs/dbraw/zinc/50/89/41/488508941.db2.gz VMBXQCAWYJWTCV-XIFXPZOESA-N 2 1 368.566 0.316 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000249499215 488510680 /nfs/dbraw/zinc/51/06/80/488510680.db2.gz HZRNCABEHREWEY-ICSRJNTNSA-N 2 1 361.486 0.803 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000249499215 488510682 /nfs/dbraw/zinc/51/06/82/488510682.db2.gz HZRNCABEHREWEY-ICSRJNTNSA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000249499215 488510684 /nfs/dbraw/zinc/51/06/84/488510684.db2.gz HZRNCABEHREWEY-ICSRJNTNSA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249499215 488510686 /nfs/dbraw/zinc/51/06/86/488510686.db2.gz HZRNCABEHREWEY-ICSRJNTNSA-N 2 1 361.486 0.803 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000109166508 488522437 /nfs/dbraw/zinc/52/24/37/488522437.db2.gz QSHYOILKGMCENV-SFHVURJKSA-N 2 1 369.554 0.404 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558693 488526317 /nfs/dbraw/zinc/52/63/17/488526317.db2.gz HVEDNUXFDMCBDI-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558697 488526564 /nfs/dbraw/zinc/52/65/64/488526564.db2.gz HVEDNUXFDMCBDI-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](C)CCn1c2cc(NC(=O)CN3CC[NH+](C)CC3)ccc2oc1=O ZINC000111586682 488530300 /nfs/dbraw/zinc/53/03/00/488530300.db2.gz JNGZODLFVKZOBX-UHFFFAOYSA-N 2 1 361.446 0.342 20 0 FCADMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261687031 488531100 /nfs/dbraw/zinc/53/11/00/488531100.db2.gz CYJRSVFWLVRKLS-GJZGRUSLSA-N 2 1 363.462 0.892 20 0 FCADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1OC ZINC000261788598 488536211 /nfs/dbraw/zinc/53/62/11/488536211.db2.gz YSLSLDBHBIYEAP-AWEZNQCLSA-N 2 1 351.447 0.999 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261853549 488538614 /nfs/dbraw/zinc/53/86/14/488538614.db2.gz MPOXRFGGYBKEHO-RBSFLKMASA-N 2 1 360.462 0.384 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261853549 488538616 /nfs/dbraw/zinc/53/86/16/488538616.db2.gz MPOXRFGGYBKEHO-RBSFLKMASA-N 2 1 360.462 0.384 20 0 FCADMP COCCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000261935278 488542781 /nfs/dbraw/zinc/54/27/81/488542781.db2.gz DDVSAZUCGKZBLS-QGZVFWFLSA-N 2 1 363.506 0.984 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116418656 488547781 /nfs/dbraw/zinc/54/77/81/488547781.db2.gz LPCRIOVHOIVHHJ-OAHLLOKOSA-N 2 1 355.527 0.862 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000262062090 488548508 /nfs/dbraw/zinc/54/85/08/488548508.db2.gz AXACHKMNXHJTJV-IYBDPMFKSA-N 2 1 363.506 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000262062090 488548512 /nfs/dbraw/zinc/54/85/12/488548512.db2.gz AXACHKMNXHJTJV-IYBDPMFKSA-N 2 1 363.506 0.966 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000262164152 488554793 /nfs/dbraw/zinc/55/47/93/488554793.db2.gz HDOQSZFNPVWDLF-IAGOWNOFSA-N 2 1 350.507 0.825 20 0 FCADMP CN1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000569942521 491205743 /nfs/dbraw/zinc/20/57/43/491205743.db2.gz YHPRITBXNVSYDS-GOSISDBHSA-N 2 1 361.490 0.668 20 0 FCADMP C[N@H+]1CC=C(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000272061674 488560727 /nfs/dbraw/zinc/56/07/27/488560727.db2.gz HZZSMEAXSDMDJG-UHFFFAOYSA-N 2 1 373.505 0.550 20 0 FCADMP C[N@@H+]1CC=C(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000272061674 488560728 /nfs/dbraw/zinc/56/07/28/488560728.db2.gz HZZSMEAXSDMDJG-UHFFFAOYSA-N 2 1 373.505 0.550 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120315739 488561110 /nfs/dbraw/zinc/56/11/10/488561110.db2.gz RUXHOUNTBYWPPR-CRAIPNDOSA-N 2 1 352.479 0.910 20 0 FCADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)nc1 ZINC000121333353 488566565 /nfs/dbraw/zinc/56/65/65/488566565.db2.gz IBNFMSUVMHSOQW-INIZCTEOSA-N 2 1 359.474 0.815 20 0 FCADMP Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)N3CCN(C)CC3)C2)nc1 ZINC000121333353 488566567 /nfs/dbraw/zinc/56/65/67/488566567.db2.gz IBNFMSUVMHSOQW-INIZCTEOSA-N 2 1 359.474 0.815 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000123943143 488589177 /nfs/dbraw/zinc/58/91/77/488589177.db2.gz UYYIRXQMXVRVLR-MRXNPFEDSA-N 2 1 367.538 0.864 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000123943143 488589179 /nfs/dbraw/zinc/58/91/79/488589179.db2.gz UYYIRXQMXVRVLR-MRXNPFEDSA-N 2 1 367.538 0.864 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000272823849 488608636 /nfs/dbraw/zinc/60/86/36/488608636.db2.gz KLCGPYYGFZIDIU-YLJYHZDGSA-N 2 1 374.529 0.895 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000272823849 488608639 /nfs/dbraw/zinc/60/86/39/488608639.db2.gz KLCGPYYGFZIDIU-YLJYHZDGSA-N 2 1 374.529 0.895 20 0 FCADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000126539590 488610096 /nfs/dbraw/zinc/61/00/96/488610096.db2.gz VBBBMLJFUMJNKA-QZTJIDSGSA-N 2 1 363.527 0.959 20 0 FCADMP C[NH+](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000126539590 488610099 /nfs/dbraw/zinc/61/00/99/488610099.db2.gz VBBBMLJFUMJNKA-QZTJIDSGSA-N 2 1 363.527 0.959 20 0 FCADMP C[NH+](CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000126539590 488610102 /nfs/dbraw/zinc/61/01/02/488610102.db2.gz VBBBMLJFUMJNKA-QZTJIDSGSA-N 2 1 363.527 0.959 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000126946488 488613371 /nfs/dbraw/zinc/61/33/71/488613371.db2.gz LQSLYZWPCYRPIK-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129565926 488631993 /nfs/dbraw/zinc/63/19/93/488631993.db2.gz OHAMIXMWNOTAQZ-PMACEKPBSA-N 2 1 366.550 0.295 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273159370 488635369 /nfs/dbraw/zinc/63/53/69/488635369.db2.gz ZCQGUMLUUANGLO-LPHOPBHVSA-N 2 1 361.486 0.838 20 0 FCADMP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000264023806 488643316 /nfs/dbraw/zinc/64/33/16/488643316.db2.gz PPUDMYALOBSMTF-GOSISDBHSA-N 2 1 373.501 0.920 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000132105288 488651027 /nfs/dbraw/zinc/65/10/27/488651027.db2.gz ZSZDJTDBMPJOHZ-SJORKVTESA-N 2 1 368.522 0.437 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1)N1CCCC1 ZINC000133431841 488659655 /nfs/dbraw/zinc/65/96/55/488659655.db2.gz DQTPNVAANNXLRY-HNNXBMFYSA-N 2 1 354.520 0.238 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1)N1CCCC1 ZINC000133431841 488659656 /nfs/dbraw/zinc/65/96/56/488659656.db2.gz DQTPNVAANNXLRY-HNNXBMFYSA-N 2 1 354.520 0.238 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000264488702 488678391 /nfs/dbraw/zinc/67/83/91/488678391.db2.gz PFKHQDIKRMZLCT-SJORKVTESA-N 2 1 361.490 0.928 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137121137 488680118 /nfs/dbraw/zinc/68/01/18/488680118.db2.gz YLZKMLRSSCKIQB-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP COc1cccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713898 488702007 /nfs/dbraw/zinc/70/20/07/488702007.db2.gz DZDJYBJGPWQBOZ-FUHWJXTLSA-N 2 1 363.506 0.843 20 0 FCADMP COCCN(C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264719182 488702734 /nfs/dbraw/zinc/70/27/34/488702734.db2.gz DRZVJVGNNXMHIK-UHFFFAOYSA-N 2 1 371.507 0.006 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842940 488718326 /nfs/dbraw/zinc/71/83/26/488718326.db2.gz LJYGMUWIHYXKNG-DLBZAZTESA-N 2 1 351.470 0.973 20 0 FCADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000274692239 488727741 /nfs/dbraw/zinc/72/77/41/488727741.db2.gz VJADIYBSVDNFIZ-HNNXBMFYSA-N 2 1 372.469 0.815 20 0 FCADMP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000154513991 488743791 /nfs/dbraw/zinc/74/37/91/488743791.db2.gz GKQBHRHMYZTLFP-SFHVURJKSA-N 2 1 352.523 0.774 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154513991 488743793 /nfs/dbraw/zinc/74/37/93/488743793.db2.gz GKQBHRHMYZTLFP-SFHVURJKSA-N 2 1 352.523 0.774 20 0 FCADMP COC(=O)CNC(=O)[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154529691 488744208 /nfs/dbraw/zinc/74/42/08/488744208.db2.gz QQKFMQQFPRHUBZ-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CN(CC(=O)NCCN1CCN(c2ncccn2)CC1)[C@H]1CCSC1 ZINC000154604506 488745274 /nfs/dbraw/zinc/74/52/74/488745274.db2.gz BFPVDPXHVNQXGA-HNNXBMFYSA-N 2 1 364.519 0.152 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000570153441 491220232 /nfs/dbraw/zinc/22/02/32/491220232.db2.gz FKHCZGIVLBNSAF-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563142454 491220427 /nfs/dbraw/zinc/22/04/27/491220427.db2.gz OJELBPBKEHDEOF-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000267137728 488764280 /nfs/dbraw/zinc/76/42/80/488764280.db2.gz GPEUVEMXUUORQJ-GOSISDBHSA-N 2 1 361.486 0.757 20 0 FCADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000158957921 488781557 /nfs/dbraw/zinc/78/15/57/488781557.db2.gz RHQXQYGYAVAPGS-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000158957921 488781559 /nfs/dbraw/zinc/78/15/59/488781559.db2.gz RHQXQYGYAVAPGS-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000267527881 488794264 /nfs/dbraw/zinc/79/42/64/488794264.db2.gz JLFZBQNNJIUPPD-CVEARBPZSA-N 2 1 362.478 0.705 20 0 FCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000267527881 488794266 /nfs/dbraw/zinc/79/42/66/488794266.db2.gz JLFZBQNNJIUPPD-CVEARBPZSA-N 2 1 362.478 0.705 20 0 FCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000267527883 488794369 /nfs/dbraw/zinc/79/43/69/488794369.db2.gz JLFZBQNNJIUPPD-HZPDHXFCSA-N 2 1 362.478 0.705 20 0 FCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000267527883 488794371 /nfs/dbraw/zinc/79/43/71/488794371.db2.gz JLFZBQNNJIUPPD-HZPDHXFCSA-N 2 1 362.478 0.705 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000570184269 491222571 /nfs/dbraw/zinc/22/25/71/491222571.db2.gz ALYPMFIDQXXJMY-OAHLLOKOSA-N 2 1 366.506 0.062 20 0 FCADMP NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563154199 491222664 /nfs/dbraw/zinc/22/26/64/491222664.db2.gz SCGUKGYVFICJLO-QGZVFWFLSA-N 2 1 365.909 0.389 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000167996324 488812556 /nfs/dbraw/zinc/81/25/56/488812556.db2.gz SVBHNVSTUSYUCA-UKRRQHHQSA-N 2 1 364.494 0.428 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@H+]1C[C@@H](C)O ZINC000167996324 488812557 /nfs/dbraw/zinc/81/25/57/488812557.db2.gz SVBHNVSTUSYUCA-UKRRQHHQSA-N 2 1 364.494 0.428 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000171212204 488821246 /nfs/dbraw/zinc/82/12/46/488821246.db2.gz FIHWQXHZOQHGBP-GOSISDBHSA-N 2 1 364.490 0.283 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000171212204 488821247 /nfs/dbraw/zinc/82/12/47/488821247.db2.gz FIHWQXHZOQHGBP-GOSISDBHSA-N 2 1 364.490 0.283 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000171212204 488821249 /nfs/dbraw/zinc/82/12/49/488821249.db2.gz FIHWQXHZOQHGBP-GOSISDBHSA-N 2 1 364.490 0.283 20 0 FCADMP COc1cc[nH+]c(N2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)c1 ZINC000171612100 488824296 /nfs/dbraw/zinc/82/42/96/488824296.db2.gz JVSOMINTDCAOSO-UHFFFAOYSA-N 2 1 358.446 0.604 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000171619874 488824550 /nfs/dbraw/zinc/82/45/50/488824550.db2.gz LRMTUULBJBGXCO-QGZVFWFLSA-N 2 1 365.522 0.810 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000171658888 488825425 /nfs/dbraw/zinc/82/54/25/488825425.db2.gz RMHYOBZHQXBDLH-UHFFFAOYSA-N 2 1 363.487 0.646 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1=O ZINC000173855080 488845747 /nfs/dbraw/zinc/84/57/47/488845747.db2.gz UXYTUTLSWLFZKD-SFHVURJKSA-N 2 1 358.486 0.571 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000174546584 488849863 /nfs/dbraw/zinc/84/98/63/488849863.db2.gz BUDXBLVNFDUKDI-GOSISDBHSA-N 2 1 373.501 0.826 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176013636 488856901 /nfs/dbraw/zinc/85/69/01/488856901.db2.gz HTMXGOLJJSDLLT-SJLPKXTDSA-N 2 1 354.539 0.779 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000177334299 488859469 /nfs/dbraw/zinc/85/94/69/488859469.db2.gz RBGOYRHGSWVSTQ-INIZCTEOSA-N 2 1 353.511 0.428 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000177334299 488859470 /nfs/dbraw/zinc/85/94/70/488859470.db2.gz RBGOYRHGSWVSTQ-INIZCTEOSA-N 2 1 353.511 0.428 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329169303 488976270 /nfs/dbraw/zinc/97/62/70/488976270.db2.gz JOHXIVVPZZEPGB-UKRRQHHQSA-N 2 1 355.508 0.646 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329169303 488976272 /nfs/dbraw/zinc/97/62/72/488976272.db2.gz JOHXIVVPZZEPGB-UKRRQHHQSA-N 2 1 355.508 0.646 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809465 491226736 /nfs/dbraw/zinc/22/67/36/491226736.db2.gz RJNPZWWIKFRIJC-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(O)(C[NH3+])CC1 ZINC000563211064 491227724 /nfs/dbraw/zinc/22/77/24/491227724.db2.gz KADDIZFNZNMEAO-QGZVFWFLSA-N 2 1 374.529 0.941 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280703742 489026086 /nfs/dbraw/zinc/02/60/86/489026086.db2.gz IPRNXVLXOZFIRN-HXUWFJFHSA-N 2 1 358.486 0.837 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280703742 489026090 /nfs/dbraw/zinc/02/60/90/489026090.db2.gz IPRNXVLXOZFIRN-HXUWFJFHSA-N 2 1 358.486 0.837 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000570268560 491228716 /nfs/dbraw/zinc/22/87/16/491228716.db2.gz JIBBTRHTXPZGAI-YRPNKDGESA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000570268560 491228719 /nfs/dbraw/zinc/22/87/19/491228719.db2.gz JIBBTRHTXPZGAI-YRPNKDGESA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000570268560 491228721 /nfs/dbraw/zinc/22/87/21/491228721.db2.gz JIBBTRHTXPZGAI-YRPNKDGESA-N 2 1 364.486 0.037 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828700 489034026 /nfs/dbraw/zinc/03/40/26/489034026.db2.gz VSUJYWCIOKEBOC-OXFYSEKESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828700 489034028 /nfs/dbraw/zinc/03/40/28/489034028.db2.gz VSUJYWCIOKEBOC-OXFYSEKESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828700 489034030 /nfs/dbraw/zinc/03/40/30/489034030.db2.gz VSUJYWCIOKEBOC-OXFYSEKESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1C1CC1 ZINC000289036039 489037420 /nfs/dbraw/zinc/03/74/20/489037420.db2.gz WHMNWSKZZKNFLV-GJZGRUSLSA-N 2 1 362.474 0.911 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365184377 489047275 /nfs/dbraw/zinc/04/72/75/489047275.db2.gz NHXMXPLLHOUFJP-ROUUACIJSA-N 2 1 366.506 0.603 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000289324432 489058567 /nfs/dbraw/zinc/05/85/67/489058567.db2.gz IRRIPWCLBITUKW-UHFFFAOYSA-N 2 1 373.501 0.967 20 0 FCADMP C[C@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000330115061 489070412 /nfs/dbraw/zinc/07/04/12/489070412.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000330115061 489070413 /nfs/dbraw/zinc/07/04/13/489070413.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570308799 491232517 /nfs/dbraw/zinc/23/25/17/491232517.db2.gz DFFHKUPSISHTOD-KGLIPLIRSA-N 2 1 363.437 0.842 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668332375 493332528 /nfs/dbraw/zinc/33/25/28/493332528.db2.gz KYHPHDNOQHKCJW-MRXNPFEDSA-N 2 1 366.506 0.348 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668332375 493332530 /nfs/dbraw/zinc/33/25/30/493332530.db2.gz KYHPHDNOQHKCJW-MRXNPFEDSA-N 2 1 366.506 0.348 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)C2 ZINC000290574835 489150579 /nfs/dbraw/zinc/15/05/79/489150579.db2.gz SCPGBOSHELMYKZ-NVXWUHKLSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)C2 ZINC000290574835 489150582 /nfs/dbraw/zinc/15/05/82/489150582.db2.gz SCPGBOSHELMYKZ-NVXWUHKLSA-N 2 1 359.474 0.519 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366238655 489161574 /nfs/dbraw/zinc/16/15/74/489161574.db2.gz DZQSLLRJGOWHAT-SJORKVTESA-N 2 1 356.511 0.897 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366238655 489161578 /nfs/dbraw/zinc/16/15/78/489161578.db2.gz DZQSLLRJGOWHAT-SJORKVTESA-N 2 1 356.511 0.897 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000366291966 489167522 /nfs/dbraw/zinc/16/75/22/489167522.db2.gz NLLGDDIHBURZDP-JKSUJKDBSA-N 2 1 364.494 1.210 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000366291962 489167532 /nfs/dbraw/zinc/16/75/32/489167532.db2.gz NLLGDDIHBURZDP-CVEARBPZSA-N 2 1 364.494 1.210 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331380431 489204380 /nfs/dbraw/zinc/20/43/80/489204380.db2.gz GGBNVPKMUGCYPB-YYIAUSFCSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000331445785 489212811 /nfs/dbraw/zinc/21/28/11/489212811.db2.gz CFYFAJOBPLMXAE-BYNSBNAKSA-N 2 1 352.479 0.158 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000570420158 491239753 /nfs/dbraw/zinc/23/97/53/491239753.db2.gz VLDCXEGFYCKEHN-OAHLLOKOSA-N 2 1 356.536 0.388 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000570420158 491239756 /nfs/dbraw/zinc/23/97/56/491239756.db2.gz VLDCXEGFYCKEHN-OAHLLOKOSA-N 2 1 356.536 0.388 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)n1 ZINC000563391613 491241129 /nfs/dbraw/zinc/24/11/29/491241129.db2.gz XSDBCBFCEYYIGT-UHFFFAOYSA-N 2 1 350.511 0.591 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000332863953 489239774 /nfs/dbraw/zinc/23/97/74/489239774.db2.gz MAJMKTJSMQDEQL-OKZBNKHCSA-N 2 1 368.522 0.462 20 0 FCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332863952 489240151 /nfs/dbraw/zinc/24/01/51/489240151.db2.gz MAJMKTJSMQDEQL-BZSNNMDCSA-N 2 1 368.522 0.462 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000369479638 489243243 /nfs/dbraw/zinc/24/32/43/489243243.db2.gz BGHXRJILGQFEEW-DOTOQJQBSA-N 2 1 354.495 0.507 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000333002940 489255378 /nfs/dbraw/zinc/25/53/78/489255378.db2.gz KZZXPNOGLREMHF-IRXDYDNUSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)n2)CC1 ZINC000369632970 489258398 /nfs/dbraw/zinc/25/83/98/489258398.db2.gz ZKTKTKGSDHQLAK-UHFFFAOYSA-N 2 1 374.489 0.785 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369987145 489300376 /nfs/dbraw/zinc/30/03/76/489300376.db2.gz QZOHSNSUUSUPHK-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369987145 489300379 /nfs/dbraw/zinc/30/03/79/489300379.db2.gz QZOHSNSUUSUPHK-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000370057276 489311262 /nfs/dbraw/zinc/31/12/62/489311262.db2.gz LNAYPDTYMYHXCK-MRXNPFEDSA-N 2 1 354.495 0.461 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370075982 489313720 /nfs/dbraw/zinc/31/37/20/489313720.db2.gz CUWUBCXMYRUHFK-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000286000951 489344275 /nfs/dbraw/zinc/34/42/75/489344275.db2.gz UEDJMOVLDNCJPJ-MAUKXSAKSA-N 2 1 369.469 0.944 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000286000951 489344277 /nfs/dbraw/zinc/34/42/77/489344277.db2.gz UEDJMOVLDNCJPJ-MAUKXSAKSA-N 2 1 369.469 0.944 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286098111 489356387 /nfs/dbraw/zinc/35/63/87/489356387.db2.gz TWVBTIVRKXXDHW-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286098111 489356388 /nfs/dbraw/zinc/35/63/88/489356388.db2.gz TWVBTIVRKXXDHW-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000298724922 489357272 /nfs/dbraw/zinc/35/72/72/489357272.db2.gz SELVAEVQEOUMPY-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000298724922 489357275 /nfs/dbraw/zinc/35/72/75/489357275.db2.gz SELVAEVQEOUMPY-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000359962275 489358287 /nfs/dbraw/zinc/35/82/87/489358287.db2.gz UQGUCJUQCCFAPS-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688377 489392571 /nfs/dbraw/zinc/39/25/71/489392571.db2.gz MDZGDYLLPVFRBI-YLJYHZDGSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688377 489392573 /nfs/dbraw/zinc/39/25/73/489392573.db2.gz MDZGDYLLPVFRBI-YLJYHZDGSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CCO1 ZINC000362688377 489392575 /nfs/dbraw/zinc/39/25/75/489392575.db2.gz MDZGDYLLPVFRBI-YLJYHZDGSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CCO1 ZINC000362688377 489392577 /nfs/dbraw/zinc/39/25/77/489392577.db2.gz MDZGDYLLPVFRBI-YLJYHZDGSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000286529321 489401215 /nfs/dbraw/zinc/40/12/15/489401215.db2.gz PSUYLAMAJQLAKU-AWEZNQCLSA-N 2 1 352.454 0.830 20 0 FCADMP COC(=O)CNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363040529 489415297 /nfs/dbraw/zinc/41/52/97/489415297.db2.gz WXAXHLBILPQFDK-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286709328 489420060 /nfs/dbraw/zinc/42/00/60/489420060.db2.gz CYFIUJAPGQIUJG-CYBMUJFWSA-N 2 1 350.467 0.045 20 0 FCADMP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000570632990 491254291 /nfs/dbraw/zinc/25/42/91/491254291.db2.gz RHWDLZYSSMDCHC-TWMKSMIVSA-N 2 1 374.551 0.394 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nccn1C ZINC000286753845 489424851 /nfs/dbraw/zinc/42/48/51/489424851.db2.gz RUDLTPVATVDIHE-GDBMZVCRSA-N 2 1 355.442 0.673 20 0 FCADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nccn1C ZINC000286753845 489424853 /nfs/dbraw/zinc/42/48/53/489424853.db2.gz RUDLTPVATVDIHE-GDBMZVCRSA-N 2 1 355.442 0.673 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000363198461 489437168 /nfs/dbraw/zinc/43/71/68/489437168.db2.gz FLXUGUOLQNLHOX-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000371025338 489439363 /nfs/dbraw/zinc/43/93/63/489439363.db2.gz AKRJFKDBSDZKHE-GOSISDBHSA-N 2 1 365.522 0.130 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312867 489451515 /nfs/dbraw/zinc/45/15/15/489451515.db2.gz CBAIATIVQDZJKZ-KBPBESRZSA-N 2 1 360.462 0.047 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312867 489451518 /nfs/dbraw/zinc/45/15/18/489451518.db2.gz CBAIATIVQDZJKZ-KBPBESRZSA-N 2 1 360.462 0.047 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394466 489462163 /nfs/dbraw/zinc/46/21/63/489462163.db2.gz AQJOZIUNCKAYNK-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1=O ZINC000363394466 489462165 /nfs/dbraw/zinc/46/21/65/489462165.db2.gz AQJOZIUNCKAYNK-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1=O ZINC000363394466 489462166 /nfs/dbraw/zinc/46/21/66/489462166.db2.gz AQJOZIUNCKAYNK-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216274 489470497 /nfs/dbraw/zinc/47/04/97/489470497.db2.gz INXGQADERZJLOQ-WOJBJXKFSA-N 2 1 372.513 0.736 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216274 489470499 /nfs/dbraw/zinc/47/04/99/489470499.db2.gz INXGQADERZJLOQ-WOJBJXKFSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216274 489470501 /nfs/dbraw/zinc/47/05/01/489470501.db2.gz INXGQADERZJLOQ-WOJBJXKFSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216274 489470503 /nfs/dbraw/zinc/47/05/03/489470503.db2.gz INXGQADERZJLOQ-WOJBJXKFSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292440 489474890 /nfs/dbraw/zinc/47/48/90/489474890.db2.gz BXRKSPGPLIWWIW-KFWWJZLASA-N 2 1 352.479 0.890 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342872 489478543 /nfs/dbraw/zinc/47/85/43/489478543.db2.gz ZYFOBFOIBFWCDF-BZSNNMDCSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342872 489478544 /nfs/dbraw/zinc/47/85/44/489478544.db2.gz ZYFOBFOIBFWCDF-BZSNNMDCSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342872 489478547 /nfs/dbraw/zinc/47/85/47/489478547.db2.gz ZYFOBFOIBFWCDF-BZSNNMDCSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578481 489480816 /nfs/dbraw/zinc/48/08/16/489480816.db2.gz OIJYJHJNEXQORU-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563595180 491257080 /nfs/dbraw/zinc/25/70/80/491257080.db2.gz PTBRFHBPBRVZRH-KDURUIRLSA-N 2 1 357.502 0.665 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145571 489496911 /nfs/dbraw/zinc/49/69/11/489496911.db2.gz LJEJGBZZWXKXCV-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000423192727 489501223 /nfs/dbraw/zinc/50/12/23/489501223.db2.gz VXUOQIWUHDGARZ-FPCVCCKLSA-N 2 1 352.479 0.036 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423258492 489508619 /nfs/dbraw/zinc/50/86/19/489508619.db2.gz BOQHVJFILDLNNL-KRWDZBQOSA-N 2 1 374.485 0.296 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423258492 489508621 /nfs/dbraw/zinc/50/86/21/489508621.db2.gz BOQHVJFILDLNNL-KRWDZBQOSA-N 2 1 374.485 0.296 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415389199 489517028 /nfs/dbraw/zinc/51/70/28/489517028.db2.gz ZGQSBTNVMOLLBJ-QGZVFWFLSA-N 2 1 360.458 0.368 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000555616569 491260155 /nfs/dbraw/zinc/26/01/55/491260155.db2.gz ZIQYJACJOOVPPB-MRXNPFEDSA-N 2 1 354.495 0.063 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000555616416 491260329 /nfs/dbraw/zinc/26/03/29/491260329.db2.gz NHMCVASMDCRQRP-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000555616416 491260330 /nfs/dbraw/zinc/26/03/30/491260330.db2.gz NHMCVASMDCRQRP-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CC1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000451891083 489528772 /nfs/dbraw/zinc/52/87/72/489528772.db2.gz NVKYLJVIWDMTMX-PMACEKPBSA-N 2 1 368.566 0.150 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000415551153 489529243 /nfs/dbraw/zinc/52/92/43/489529243.db2.gz DBENREKXOBFQEK-CVEARBPZSA-N 2 1 374.485 0.709 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000425866887 489535434 /nfs/dbraw/zinc/53/54/34/489535434.db2.gz QRRHCOWMZSVZTB-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H]1CCO)NCC1(N2CCOCC2)CCCCC1 ZINC000426227698 489559958 /nfs/dbraw/zinc/55/99/58/489559958.db2.gz NJRKXGPSHBZWTJ-KRWDZBQOSA-N 2 1 353.507 0.985 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372221327 489560319 /nfs/dbraw/zinc/56/03/19/489560319.db2.gz IFYVMYVWFWQZQB-ZACQAIPSSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372221327 489560323 /nfs/dbraw/zinc/56/03/23/489560323.db2.gz IFYVMYVWFWQZQB-ZACQAIPSSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372221327 489560326 /nfs/dbraw/zinc/56/03/26/489560326.db2.gz IFYVMYVWFWQZQB-ZACQAIPSSA-N 2 1 353.511 0.175 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)c1)C1CC1 ZINC000415903061 489564871 /nfs/dbraw/zinc/56/48/71/489564871.db2.gz YNLBOTWAXIQEEA-UHFFFAOYSA-N 2 1 372.469 0.463 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007255 489567279 /nfs/dbraw/zinc/56/72/79/489567279.db2.gz MLCFDHKYNLWMLL-NEPJUHHUSA-N 2 1 365.400 0.214 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000454999337 489584840 /nfs/dbraw/zinc/58/48/40/489584840.db2.gz LXQVUCPQZFPWBN-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1 ZINC000426894850 489585976 /nfs/dbraw/zinc/58/59/76/489585976.db2.gz DWMBDTFCFSRJIA-DOTOQJQBSA-N 2 1 351.447 0.647 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1 ZINC000426894850 489585979 /nfs/dbraw/zinc/58/59/79/489585979.db2.gz DWMBDTFCFSRJIA-DOTOQJQBSA-N 2 1 351.447 0.647 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000372501941 489591628 /nfs/dbraw/zinc/59/16/28/489591628.db2.gz IQFUVHZHXVRCDA-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000455661189 489597926 /nfs/dbraw/zinc/59/79/26/489597926.db2.gz TVLZQHGIIIIEPJ-OAHLLOKOSA-N 2 1 352.483 0.803 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000563725261 491265607 /nfs/dbraw/zinc/26/56/07/491265607.db2.gz KVHMXWXUTKHXMG-YLJYHZDGSA-N 2 1 358.486 0.867 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)n2)CC1 ZINC000427313997 489602506 /nfs/dbraw/zinc/60/25/06/489602506.db2.gz LEQCGEKITCHGDL-GDBMZVCRSA-N 2 1 374.489 0.641 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)C3(C(=O)N4C[C@H]5CC[N@H+](C)[C@H]5C4)CCC3)C[C@H]21 ZINC000456159596 489608398 /nfs/dbraw/zinc/60/83/98/489608398.db2.gz FPJPZFCECFRYMR-ZYGGUILKSA-N 2 1 360.502 0.482 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)CCC3)C[C@@H]21 ZINC000456159596 489608400 /nfs/dbraw/zinc/60/84/00/489608400.db2.gz FPJPZFCECFRYMR-ZYGGUILKSA-N 2 1 360.502 0.482 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)CCC3)C[C@@H]21 ZINC000456159596 489608402 /nfs/dbraw/zinc/60/84/02/489608402.db2.gz FPJPZFCECFRYMR-ZYGGUILKSA-N 2 1 360.502 0.482 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728649 491266443 /nfs/dbraw/zinc/26/64/43/491266443.db2.gz ADYGYJMUXRAAAJ-AEFFLSMTSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591689 489615057 /nfs/dbraw/zinc/61/50/57/489615057.db2.gz MMTCUUGOVFLXLX-BBRMVZONSA-N 2 1 374.489 0.687 20 0 FCADMP COC[C@]1(CNC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000416933703 489634337 /nfs/dbraw/zinc/63/43/37/489634337.db2.gz BMZGOKWRGBIDEM-SJLPKXTDSA-N 2 1 356.511 0.801 20 0 FCADMP C[NH+](C)CC(C)(C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000457215571 489639968 /nfs/dbraw/zinc/63/99/68/489639968.db2.gz ZMBLLMIAQCYSEH-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417219775 489645133 /nfs/dbraw/zinc/64/51/33/489645133.db2.gz WPEXEXJTEZOHMR-INMHGKMJSA-N 2 1 351.495 0.417 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000555730135 491268473 /nfs/dbraw/zinc/26/84/73/491268473.db2.gz KYSOSDJYAWEQFB-IRXDYDNUSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000555730135 491268474 /nfs/dbraw/zinc/26/84/74/491268474.db2.gz KYSOSDJYAWEQFB-IRXDYDNUSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000555730135 491268475 /nfs/dbraw/zinc/26/84/75/491268475.db2.gz KYSOSDJYAWEQFB-IRXDYDNUSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000555730136 491268531 /nfs/dbraw/zinc/26/85/31/491268531.db2.gz KYSOSDJYAWEQFB-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000555730136 491268532 /nfs/dbraw/zinc/26/85/32/491268532.db2.gz KYSOSDJYAWEQFB-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000555730136 491268533 /nfs/dbraw/zinc/26/85/33/491268533.db2.gz KYSOSDJYAWEQFB-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362056 489649296 /nfs/dbraw/zinc/64/92/96/489649296.db2.gz DIXCMVRKEARCFD-IAGOWNOFSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1[NH3+] ZINC000417383750 489650984 /nfs/dbraw/zinc/65/09/84/489650984.db2.gz KQDZIJUCCNJRPM-FUHWJXTLSA-N 2 1 360.506 0.972 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)N1CCOCC1 ZINC000457618310 489651292 /nfs/dbraw/zinc/65/12/92/489651292.db2.gz ZWEXKCJZCPKYNM-IRXDYDNUSA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)N1CCOCC1 ZINC000457618310 489651294 /nfs/dbraw/zinc/65/12/94/489651294.db2.gz ZWEXKCJZCPKYNM-IRXDYDNUSA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622628 489651451 /nfs/dbraw/zinc/65/14/51/489651451.db2.gz QNRVSAYNTZHKNI-MSOLQXFVSA-N 2 1 369.554 0.404 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000457635109 489652894 /nfs/dbraw/zinc/65/28/94/489652894.db2.gz IXXHDOOGWSFBQK-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457635109 489652897 /nfs/dbraw/zinc/65/28/97/489652897.db2.gz IXXHDOOGWSFBQK-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000457635109 489652900 /nfs/dbraw/zinc/65/29/00/489652900.db2.gz IXXHDOOGWSFBQK-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417428357 489652920 /nfs/dbraw/zinc/65/29/20/489652920.db2.gz KUTIEIUCGZWVLI-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000417460902 489654731 /nfs/dbraw/zinc/65/47/31/489654731.db2.gz RPUSEJVQECIKAM-INIZCTEOSA-N 2 1 350.463 0.805 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000417544385 489657584 /nfs/dbraw/zinc/65/75/84/489657584.db2.gz HMINVMVVRBUTGK-ROUUACIJSA-N 2 1 373.501 0.935 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C1 ZINC000417547882 489658134 /nfs/dbraw/zinc/65/81/34/489658134.db2.gz PQSZWBNUQKJCCV-BDXSIMOUSA-N 2 1 371.485 0.401 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417667846 489660843 /nfs/dbraw/zinc/66/08/43/489660843.db2.gz HQMGUJOLRBJSRC-QZTJIDSGSA-N 2 1 369.554 0.718 20 0 FCADMP C[NH2+][C@@H](C)CNC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417670002 489661026 /nfs/dbraw/zinc/66/10/26/489661026.db2.gz NIWPEHJPZJRHHF-ZDUSSCGKSA-N 2 1 350.463 0.969 20 0 FCADMP C[NH2+][C@@H](C)CNC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417670002 489661028 /nfs/dbraw/zinc/66/10/28/489661028.db2.gz NIWPEHJPZJRHHF-ZDUSSCGKSA-N 2 1 350.463 0.969 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417750246 489664253 /nfs/dbraw/zinc/66/42/53/489664253.db2.gz KKZPVIIRNDNPOJ-AEFFLSMTSA-N 2 1 355.527 0.328 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417753358 489664596 /nfs/dbraw/zinc/66/45/96/489664596.db2.gz OLKPJLPTMCDJGY-DLBZAZTESA-N 2 1 356.511 0.883 20 0 FCADMP COCC[NH2+]CCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417832245 489668008 /nfs/dbraw/zinc/66/80/08/489668008.db2.gz LAYPRTPKLDDXDF-UHFFFAOYSA-N 2 1 350.467 0.597 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000417855081 489668670 /nfs/dbraw/zinc/66/86/70/489668670.db2.gz KUAVLGMAZNEMNG-LSDHHAIUSA-N 2 1 353.511 0.569 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000373129206 489671706 /nfs/dbraw/zinc/67/17/06/489671706.db2.gz YCRKIVLWOQMMPA-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000373129206 489671708 /nfs/dbraw/zinc/67/17/08/489671708.db2.gz YCRKIVLWOQMMPA-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP CN1CCC2(CCN(CC(=O)NCC(C)(C)N3CCOCC3)CC2)C1=O ZINC000373148355 489673985 /nfs/dbraw/zinc/67/39/85/489673985.db2.gz VKQLVZXBRWOXDG-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067977 489677352 /nfs/dbraw/zinc/67/73/52/489677352.db2.gz CONHRLGJFIOEHY-ZWKOTPCHSA-N 2 1 362.474 0.647 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458394184 489680039 /nfs/dbraw/zinc/68/00/39/489680039.db2.gz VCYNNKPVLUZSNC-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458394184 489680041 /nfs/dbraw/zinc/68/00/41/489680041.db2.gz VCYNNKPVLUZSNC-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418183431 489683684 /nfs/dbraw/zinc/68/36/84/489683684.db2.gz PGVIJSWDHUDGJB-PNRVRQOCSA-N 2 1 353.511 0.743 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461435 489683954 /nfs/dbraw/zinc/68/39/54/489683954.db2.gz PHNLNJXNVMFVST-ZWKOTPCHSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461435 489683958 /nfs/dbraw/zinc/68/39/58/489683958.db2.gz PHNLNJXNVMFVST-ZWKOTPCHSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461435 489683960 /nfs/dbraw/zinc/68/39/60/489683960.db2.gz PHNLNJXNVMFVST-ZWKOTPCHSA-N 2 1 369.554 0.406 20 0 FCADMP C[N@H+](CCCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000418254844 489685924 /nfs/dbraw/zinc/68/59/24/489685924.db2.gz AKFLIDAMASPURP-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000418254844 489685927 /nfs/dbraw/zinc/68/59/27/489685927.db2.gz AKFLIDAMASPURP-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000418289102 489688859 /nfs/dbraw/zinc/68/88/59/489688859.db2.gz OAGOVCZFQCAGPI-KURKYZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000458783107 489702209 /nfs/dbraw/zinc/70/22/09/489702209.db2.gz VFJIADQYCXVQMT-HNNXBMFYSA-N 2 1 365.478 0.230 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000458783107 489702214 /nfs/dbraw/zinc/70/22/14/489702214.db2.gz VFJIADQYCXVQMT-HNNXBMFYSA-N 2 1 365.478 0.230 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418515397 489703102 /nfs/dbraw/zinc/70/31/02/489703102.db2.gz YHPPPLDJRZYKHK-SJORKVTESA-N 2 1 350.463 0.157 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418572564 489707803 /nfs/dbraw/zinc/70/78/03/489707803.db2.gz FDLJPVYSMFUPGG-HZPDHXFCSA-N 2 1 353.511 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418572564 489707804 /nfs/dbraw/zinc/70/78/04/489707804.db2.gz FDLJPVYSMFUPGG-HZPDHXFCSA-N 2 1 353.511 0.842 20 0 FCADMP Cc1nc(NC[C@@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000563849061 491272731 /nfs/dbraw/zinc/27/27/31/491272731.db2.gz LDVVKEFIBCYIDU-HOTGVXAUSA-N 2 1 371.533 0.816 20 0 FCADMP COC[C@]1(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000418628559 489712873 /nfs/dbraw/zinc/71/28/73/489712873.db2.gz AZEXNAHVYQGTQJ-GOSISDBHSA-N 2 1 356.511 0.755 20 0 FCADMP COC[C@]1(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000418635079 489713216 /nfs/dbraw/zinc/71/32/16/489713216.db2.gz KDWUGJOPSUHEJI-GOSISDBHSA-N 2 1 355.527 0.422 20 0 FCADMP COC[C@]1(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418635079 489713220 /nfs/dbraw/zinc/71/32/20/489713220.db2.gz KDWUGJOPSUHEJI-GOSISDBHSA-N 2 1 355.527 0.422 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCCO1 ZINC000418802133 489731018 /nfs/dbraw/zinc/73/10/18/489731018.db2.gz XSPALEMXGNVSEK-QZTJIDSGSA-N 2 1 362.474 0.083 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418812724 489734743 /nfs/dbraw/zinc/73/47/43/489734743.db2.gz IWBUARMBKPWCLP-YOEHRIQHSA-N 2 1 361.490 0.934 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000489910272 489735028 /nfs/dbraw/zinc/73/50/28/489735028.db2.gz WATNWOCTIILNLN-HNNXBMFYSA-N 2 1 368.503 0.196 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000489910272 489735029 /nfs/dbraw/zinc/73/50/29/489735029.db2.gz WATNWOCTIILNLN-HNNXBMFYSA-N 2 1 368.503 0.196 20 0 FCADMP C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459539824 489737971 /nfs/dbraw/zinc/73/79/71/489737971.db2.gz QCVFLVQTUVAHGC-WBVHZDCISA-N 2 1 354.520 0.883 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418823273 489739265 /nfs/dbraw/zinc/73/92/65/489739265.db2.gz BXPALUIUVXSZAO-OAHLLOKOSA-N 2 1 352.479 0.006 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987083 489739674 /nfs/dbraw/zinc/73/96/74/489739674.db2.gz GJXFNNNIXIVFPF-CVEARBPZSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987083 489739675 /nfs/dbraw/zinc/73/96/75/489739675.db2.gz GJXFNNNIXIVFPF-CVEARBPZSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987083 489739676 /nfs/dbraw/zinc/73/96/76/489739676.db2.gz GJXFNNNIXIVFPF-CVEARBPZSA-N 2 1 368.547 0.484 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000418826267 489741109 /nfs/dbraw/zinc/74/11/09/489741109.db2.gz BCIOXFISLZPOPZ-HIFRSBDPSA-N 2 1 350.463 0.386 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548604 489744536 /nfs/dbraw/zinc/74/45/36/489744536.db2.gz MFNVESJWFXRBTN-UKRRQHHQSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548604 489744539 /nfs/dbraw/zinc/74/45/39/489744539.db2.gz MFNVESJWFXRBTN-UKRRQHHQSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548601 489745165 /nfs/dbraw/zinc/74/51/65/489745165.db2.gz MFNVESJWFXRBTN-DZGCQCFKSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548601 489745168 /nfs/dbraw/zinc/74/51/68/489745168.db2.gz MFNVESJWFXRBTN-DZGCQCFKSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418833021 489745193 /nfs/dbraw/zinc/74/51/93/489745193.db2.gz MUGDRIQRCBXUOW-JKSUJKDBSA-N 2 1 366.506 0.394 20 0 FCADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430608736 489752056 /nfs/dbraw/zinc/75/20/56/489752056.db2.gz FXAJXEZAJRLEKN-CGZBRXJRSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430607882 489752454 /nfs/dbraw/zinc/75/24/54/489752454.db2.gz ZRKVWPDKUJFJMV-HNNXBMFYSA-N 2 1 373.457 0.479 20 0 FCADMP Cc1ccc2nc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n2c1 ZINC000430614299 489753513 /nfs/dbraw/zinc/75/35/13/489753513.db2.gz XXWUCFGWZMVWSS-INIZCTEOSA-N 2 1 369.469 0.647 20 0 FCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430619248 489754997 /nfs/dbraw/zinc/75/49/97/489754997.db2.gz AHYKPHGPUWDDAE-MRXNPFEDSA-N 2 1 362.474 0.441 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)n1C ZINC000418854889 489758331 /nfs/dbraw/zinc/75/83/31/489758331.db2.gz LSHYVBLOHPHBHQ-UHFFFAOYSA-N 2 1 372.473 0.480 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633294 489759570 /nfs/dbraw/zinc/75/95/70/489759570.db2.gz ZQSWMUYSYFWUPH-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652016 489763794 /nfs/dbraw/zinc/76/37/94/489763794.db2.gz WQIWMAAWPZSEOL-ZFWWWQNUSA-N 2 1 350.438 0.617 20 0 FCADMP CC1CC[NH+](C2CCC(NC(=O)C(=O)NCC(F)(F)C[NH3+])CC2)CC1 ZINC000418870150 489767932 /nfs/dbraw/zinc/76/79/32/489767932.db2.gz RNDXEBYEHFNMDL-UHFFFAOYSA-N 2 1 360.449 0.856 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418875047 489769516 /nfs/dbraw/zinc/76/95/16/489769516.db2.gz CMAGATGWEMMEAY-OAHLLOKOSA-N 2 1 354.495 0.381 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418877452 489770781 /nfs/dbraw/zinc/77/07/81/489770781.db2.gz IYEKTAUQENFMGN-PMPSAXMXSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418878998 489771357 /nfs/dbraw/zinc/77/13/57/489771357.db2.gz MVLMNFUEPWSAGQ-GDBMZVCRSA-N 2 1 354.495 0.237 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418881709 489773299 /nfs/dbraw/zinc/77/32/99/489773299.db2.gz RNLUPBUESNESPF-ZOBUZTSGSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430932014 489778932 /nfs/dbraw/zinc/77/89/32/489778932.db2.gz DCPQUYLLAPBQBG-CZUORRHYSA-N 2 1 368.503 0.052 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000430944588 489781101 /nfs/dbraw/zinc/78/11/01/489781101.db2.gz MWMQSGLPZBCYFO-UHFFFAOYSA-N 2 1 354.476 0.512 20 0 FCADMP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000430966594 489782201 /nfs/dbraw/zinc/78/22/01/489782201.db2.gz PANLLTMNPZGTBH-JKSUJKDBSA-N 2 1 350.507 0.764 20 0 FCADMP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000430966594 489782207 /nfs/dbraw/zinc/78/22/07/489782207.db2.gz PANLLTMNPZGTBH-JKSUJKDBSA-N 2 1 350.507 0.764 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000459891309 489782714 /nfs/dbraw/zinc/78/27/14/489782714.db2.gz BBJJZYCOHJSNQN-IYBDPMFKSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000459896049 489783792 /nfs/dbraw/zinc/78/37/92/489783792.db2.gz DVIPJZFDQBMHJK-IBGZPJMESA-N 2 1 352.523 0.977 20 0 FCADMP O=C(COC1C[NH2+]C1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000431000438 489784560 /nfs/dbraw/zinc/78/45/60/489784560.db2.gz QFDOYKFIVSWTOU-UHFFFAOYSA-N 2 1 366.893 0.957 20 0 FCADMP NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000431092852 489788650 /nfs/dbraw/zinc/78/86/50/489788650.db2.gz FYJGRZISIYDYOV-KRWDZBQOSA-N 2 1 364.465 0.804 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000570991090 491278787 /nfs/dbraw/zinc/27/87/87/491278787.db2.gz TXQDWFYYGDVKCC-IRXDYDNUSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418916581 489789933 /nfs/dbraw/zinc/78/99/33/489789933.db2.gz HFMMOPVFSQGJOE-DLBZAZTESA-N 2 1 368.522 0.483 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919699 489792191 /nfs/dbraw/zinc/79/21/91/489792191.db2.gz KHCBHMVEUZDIDA-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000459921184 489794129 /nfs/dbraw/zinc/79/41/29/489794129.db2.gz OOHMPBAAMQXUQP-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000459921170 489794176 /nfs/dbraw/zinc/79/41/76/489794176.db2.gz OKDVNNFJNAIHPD-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP O=C(CNC(=O)NCC[NH+]1CCSCC1)NCC[NH+]1CCCCCC1 ZINC000431273857 489798305 /nfs/dbraw/zinc/79/83/05/489798305.db2.gz DROJYACJLCIPFL-UHFFFAOYSA-N 2 1 371.551 0.327 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431312148 489800785 /nfs/dbraw/zinc/80/07/85/489800785.db2.gz IASFPLZCOCLBJN-UHFFFAOYSA-N 2 1 364.494 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000555895871 491280240 /nfs/dbraw/zinc/28/02/40/491280240.db2.gz DHNQSVINFZEOQH-CQSZACIVSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000555895871 491280242 /nfs/dbraw/zinc/28/02/42/491280242.db2.gz DHNQSVINFZEOQH-CQSZACIVSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418988001 489811454 /nfs/dbraw/zinc/81/14/54/489811454.db2.gz RAWLNEUTCNWOFI-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419005837 489815262 /nfs/dbraw/zinc/81/52/62/489815262.db2.gz RUYBNMBCXXVZMC-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419017555 489819726 /nfs/dbraw/zinc/81/97/26/489819726.db2.gz BBMYDKFNDRZDGM-XUWVNRHRSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022317 489821806 /nfs/dbraw/zinc/82/18/06/489821806.db2.gz IEOAJWLWHYWBBL-KFWWJZLASA-N 2 1 368.522 0.842 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419025148 489822263 /nfs/dbraw/zinc/82/22/63/489822263.db2.gz LZFVBXPUFCKYDY-GASCZTMLSA-N 2 1 350.507 0.895 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419030257 489825734 /nfs/dbraw/zinc/82/57/34/489825734.db2.gz SVVMWUAXXBMADF-ZHCJQAHYSA-N 2 1 368.522 0.434 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@@H](C)C1 ZINC000419035984 489828048 /nfs/dbraw/zinc/82/80/48/489828048.db2.gz FWIDTGMRYJQPTB-YVSFHVDLSA-N 2 1 368.522 0.435 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000460042201 489829252 /nfs/dbraw/zinc/82/92/52/489829252.db2.gz ONGGRMVWDQOOGU-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C1 ZINC000419046086 489832940 /nfs/dbraw/zinc/83/29/40/489832940.db2.gz XLTUFHNTSSWAFX-HZPDHXFCSA-N 2 1 370.538 0.683 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419046847 489833309 /nfs/dbraw/zinc/83/33/09/489833309.db2.gz RALJBVAKGKNMGN-CRAIPNDOSA-N 2 1 356.470 0.974 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058239 489837203 /nfs/dbraw/zinc/83/72/03/489837203.db2.gz QTVNETSFXLCAAZ-WBVHZDCISA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419058364 489838377 /nfs/dbraw/zinc/83/83/77/489838377.db2.gz BQHBCNXSRVJBDI-ZIAGYGMSSA-N 2 1 352.479 0.026 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419060753 489839167 /nfs/dbraw/zinc/83/91/67/489839167.db2.gz FNJVVBHPCQRJSJ-SOUVJXGZSA-N 2 1 356.511 0.480 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000432518169 489844832 /nfs/dbraw/zinc/84/48/32/489844832.db2.gz JIZLWNASDWFOCL-DLBZAZTESA-N 2 1 360.458 0.055 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000460081673 489846920 /nfs/dbraw/zinc/84/69/20/489846920.db2.gz MHYMAJASNBCGLZ-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000460081673 489846922 /nfs/dbraw/zinc/84/69/22/489846922.db2.gz MHYMAJASNBCGLZ-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000460081673 489846925 /nfs/dbraw/zinc/84/69/25/489846925.db2.gz MHYMAJASNBCGLZ-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551379 489847453 /nfs/dbraw/zinc/84/74/53/489847453.db2.gz DVFYTWLHHGYPQK-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000419076136 489847714 /nfs/dbraw/zinc/84/77/14/489847714.db2.gz PJCOFEVSHFWHEN-AWEZNQCLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000419076136 489847719 /nfs/dbraw/zinc/84/77/19/489847719.db2.gz PJCOFEVSHFWHEN-AWEZNQCLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000564000983 491282855 /nfs/dbraw/zinc/28/28/55/491282855.db2.gz NZPYOHGWNRFBAY-HNNXBMFYSA-N 2 1 356.536 0.532 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419082618 489849040 /nfs/dbraw/zinc/84/90/40/489849040.db2.gz JNRFSTKVJKBIQK-JONQDZQNSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419082618 489849045 /nfs/dbraw/zinc/84/90/45/489849045.db2.gz JNRFSTKVJKBIQK-JONQDZQNSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000419083469 489850430 /nfs/dbraw/zinc/85/04/30/489850430.db2.gz KDWJXIUZNYTDGT-JJXSEGSLSA-N 2 1 368.522 0.576 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920180 491283060 /nfs/dbraw/zinc/28/30/60/491283060.db2.gz CIPGXKFQQMOQDV-IAGOWNOFSA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920180 491283066 /nfs/dbraw/zinc/28/30/66/491283066.db2.gz CIPGXKFQQMOQDV-IAGOWNOFSA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920180 491283067 /nfs/dbraw/zinc/28/30/67/491283067.db2.gz CIPGXKFQQMOQDV-IAGOWNOFSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000419089531 489852450 /nfs/dbraw/zinc/85/24/50/489852450.db2.gz UBISTMAFOAITEP-KBPBESRZSA-N 2 1 354.495 0.188 20 0 FCADMP COc1cccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000460237825 489856821 /nfs/dbraw/zinc/85/68/21/489856821.db2.gz BLDCOZCKOGZLDC-SJLPKXTDSA-N 2 1 350.463 0.664 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000460471300 489867077 /nfs/dbraw/zinc/86/70/77/489867077.db2.gz UKLJWVSYBZSJAN-QGZVFWFLSA-N 2 1 359.584 0.949 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1)CC[NH+](C)C ZINC000460471300 489867079 /nfs/dbraw/zinc/86/70/79/489867079.db2.gz UKLJWVSYBZSJAN-QGZVFWFLSA-N 2 1 359.584 0.949 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993322 489875749 /nfs/dbraw/zinc/87/57/49/489875749.db2.gz FBRGOAMOFKOWJA-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420000220 489877208 /nfs/dbraw/zinc/87/72/08/489877208.db2.gz NZUGWUWQKWHIKS-IBGZPJMESA-N 2 1 372.513 0.879 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019199 489882028 /nfs/dbraw/zinc/88/20/28/489882028.db2.gz ZXDAUMISLZTCQQ-DJIMGWMZSA-N 2 1 367.538 0.245 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000460762595 489882457 /nfs/dbraw/zinc/88/24/57/489882457.db2.gz GRXJLFAYLLJDJX-UHFFFAOYSA-N 2 1 370.586 0.537 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000460762595 489882461 /nfs/dbraw/zinc/88/24/61/489882461.db2.gz GRXJLFAYLLJDJX-UHFFFAOYSA-N 2 1 370.586 0.537 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000460762595 489882465 /nfs/dbraw/zinc/88/24/65/489882465.db2.gz GRXJLFAYLLJDJX-UHFFFAOYSA-N 2 1 370.586 0.537 20 0 FCADMP CN(CCCN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CC[NH+](C)C ZINC000460762595 489882470 /nfs/dbraw/zinc/88/24/70/489882470.db2.gz GRXJLFAYLLJDJX-UHFFFAOYSA-N 2 1 370.586 0.537 20 0 FCADMP CN(CCCN(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CC[NH+](C)C ZINC000460762595 489882474 /nfs/dbraw/zinc/88/24/74/489882474.db2.gz GRXJLFAYLLJDJX-UHFFFAOYSA-N 2 1 370.586 0.537 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433451479 489885570 /nfs/dbraw/zinc/88/55/70/489885570.db2.gz CAQLYIFDMBDPRY-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433451479 489885573 /nfs/dbraw/zinc/88/55/73/489885573.db2.gz CAQLYIFDMBDPRY-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433451479 489885576 /nfs/dbraw/zinc/88/55/76/489885576.db2.gz CAQLYIFDMBDPRY-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420057887 489896978 /nfs/dbraw/zinc/89/69/78/489896978.db2.gz HYRZIDVRWUYAAZ-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420073064 489903290 /nfs/dbraw/zinc/90/32/90/489903290.db2.gz XYEMBVVXKDKGQE-INMHGKMJSA-N 2 1 366.506 0.332 20 0 FCADMP COC(=O)CCNC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000377512225 489912300 /nfs/dbraw/zinc/91/23/00/489912300.db2.gz RBWQTXUZZYLMFI-GASCZTMLSA-N 2 1 355.479 0.487 20 0 FCADMP COC(=O)CCNC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000377512225 489912306 /nfs/dbraw/zinc/91/23/06/489912306.db2.gz RBWQTXUZZYLMFI-GASCZTMLSA-N 2 1 355.479 0.487 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420101722 489913144 /nfs/dbraw/zinc/91/31/44/489913144.db2.gz MDXDIOGNPANNKJ-LJQANCHMSA-N 2 1 368.522 0.309 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420115595 489917171 /nfs/dbraw/zinc/91/71/71/489917171.db2.gz GTMDVKKUDXRXDR-UHFFFAOYSA-N 2 1 368.522 0.309 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420157577 489934705 /nfs/dbraw/zinc/93/47/05/489934705.db2.gz PFJMARZUKFXJPE-KLHDSHLOSA-N 2 1 354.495 0.201 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477104201 489943248 /nfs/dbraw/zinc/94/32/48/489943248.db2.gz YSTCKDUKMGGBPJ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000420187040 489945280 /nfs/dbraw/zinc/94/52/80/489945280.db2.gz LPKQEAJJAAOKAA-MSOLQXFVSA-N 2 1 358.486 0.617 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000462005613 489950051 /nfs/dbraw/zinc/95/00/51/489950051.db2.gz DEEGHYVBQCEHCA-HDICACEKSA-N 2 1 366.550 0.972 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420203050 489950895 /nfs/dbraw/zinc/95/08/95/489950895.db2.gz GMRUPKFJLFQILR-TWMKSMIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777930 489957032 /nfs/dbraw/zinc/95/70/32/489957032.db2.gz XEKGRQXESKAKFP-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777930 489957035 /nfs/dbraw/zinc/95/70/35/489957035.db2.gz XEKGRQXESKAKFP-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284194 489960070 /nfs/dbraw/zinc/96/00/70/489960070.db2.gz CMIWDDLHAYIXRP-NWDGAFQWSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284194 489960074 /nfs/dbraw/zinc/96/00/74/489960074.db2.gz CMIWDDLHAYIXRP-NWDGAFQWSA-N 2 1 350.385 0.197 20 0 FCADMP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2C1=O ZINC000420325790 489963911 /nfs/dbraw/zinc/96/39/11/489963911.db2.gz BUYGZIVRRKBWDC-BETUJISGSA-N 2 1 356.426 0.782 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335482 489964529 /nfs/dbraw/zinc/96/45/29/489964529.db2.gz VARKIGSUCHJCBR-GVDBMIGSSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345295 489965719 /nfs/dbraw/zinc/96/57/19/489965719.db2.gz ALOYISKPPJQQCR-MOPGFXCFSA-N 3 1 359.518 0.385 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345295 489965724 /nfs/dbraw/zinc/96/57/24/489965724.db2.gz ALOYISKPPJQQCR-MOPGFXCFSA-N 3 1 359.518 0.385 20 0 FCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348668 489965843 /nfs/dbraw/zinc/96/58/43/489965843.db2.gz MKPNLCQEUKQPMI-CABCVRRESA-N 2 1 366.456 0.992 20 0 FCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348668 489965844 /nfs/dbraw/zinc/96/58/44/489965844.db2.gz MKPNLCQEUKQPMI-CABCVRRESA-N 2 1 366.456 0.992 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(Cl)c1 ZINC000420347298 489965867 /nfs/dbraw/zinc/96/58/67/489965867.db2.gz GJUCDWFXAOCGEQ-INIZCTEOSA-N 2 1 366.893 0.815 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(Cl)c1 ZINC000420347298 489965870 /nfs/dbraw/zinc/96/58/70/489965870.db2.gz GJUCDWFXAOCGEQ-INIZCTEOSA-N 2 1 366.893 0.815 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349297 489966201 /nfs/dbraw/zinc/96/62/01/489966201.db2.gz OJOBBXLEHBDTNW-MAUKXSAKSA-N 2 1 374.485 0.457 20 0 FCADMP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350532 489966701 /nfs/dbraw/zinc/96/67/01/489966701.db2.gz TUPXIUSSEQOLOB-GOSISDBHSA-N 2 1 374.485 0.562 20 0 FCADMP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350532 489966704 /nfs/dbraw/zinc/96/67/04/489966704.db2.gz TUPXIUSSEQOLOB-GOSISDBHSA-N 2 1 374.485 0.562 20 0 FCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350381 489966711 /nfs/dbraw/zinc/96/67/11/489966711.db2.gz SNISYFHSDZUQDD-KZNAEPCWSA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350381 489966714 /nfs/dbraw/zinc/96/67/14/489966714.db2.gz SNISYFHSDZUQDD-KZNAEPCWSA-N 2 1 352.523 0.677 20 0 FCADMP [NH3+]CCOCC[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420365651 489968700 /nfs/dbraw/zinc/96/87/00/489968700.db2.gz FDFCPCHAYVXIOQ-LJQANCHMSA-N 2 1 360.502 0.771 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406287 489972702 /nfs/dbraw/zinc/97/27/02/489972702.db2.gz QZGUHWPPLZCHJP-USXIJHARSA-N 2 1 365.522 0.901 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406287 489972705 /nfs/dbraw/zinc/97/27/05/489972705.db2.gz QZGUHWPPLZCHJP-USXIJHARSA-N 2 1 365.522 0.901 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406284 489972825 /nfs/dbraw/zinc/97/28/25/489972825.db2.gz QZGUHWPPLZCHJP-UAGQMJEPSA-N 2 1 365.522 0.901 20 0 FCADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406284 489972826 /nfs/dbraw/zinc/97/28/26/489972826.db2.gz QZGUHWPPLZCHJP-UAGQMJEPSA-N 2 1 365.522 0.901 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000477675402 489984112 /nfs/dbraw/zinc/98/41/12/489984112.db2.gz GNOISISEFVIVHH-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887232 489994961 /nfs/dbraw/zinc/99/49/61/489994961.db2.gz ACBYWBNZGKNXAA-XLAORIBOSA-N 2 1 362.518 0.824 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000435552122 490005168 /nfs/dbraw/zinc/00/51/68/490005168.db2.gz YSNZIPITORANEN-HNNXBMFYSA-N 2 1 352.483 0.378 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085947 491293720 /nfs/dbraw/zinc/29/37/20/491293720.db2.gz YSWAXLJQDRGXJJ-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085947 491293722 /nfs/dbraw/zinc/29/37/22/491293722.db2.gz YSWAXLJQDRGXJJ-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085947 491293724 /nfs/dbraw/zinc/29/37/24/491293724.db2.gz YSWAXLJQDRGXJJ-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000478902860 490051663 /nfs/dbraw/zinc/05/16/63/490051663.db2.gz WGGMEMMZDLBGJP-MRXNPFEDSA-N 2 1 364.490 0.835 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906202 490052410 /nfs/dbraw/zinc/05/24/10/490052410.db2.gz PPDCUSPYDNKRPY-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000478906202 490052413 /nfs/dbraw/zinc/05/24/13/490052413.db2.gz PPDCUSPYDNKRPY-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000478906202 490052418 /nfs/dbraw/zinc/05/24/18/490052418.db2.gz PPDCUSPYDNKRPY-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395848 490059189 /nfs/dbraw/zinc/05/91/89/490059189.db2.gz CDHAAGVIEPABTQ-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC2)cc1 ZINC000491058137 490074966 /nfs/dbraw/zinc/07/49/66/490074966.db2.gz HDMGBHNVRNJCLV-OAHLLOKOSA-N 2 1 371.503 0.360 20 0 FCADMP CC(C)C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000519765004 490080481 /nfs/dbraw/zinc/08/04/81/490080481.db2.gz JAUFVPWNBAUGTG-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000519810915 490087476 /nfs/dbraw/zinc/08/74/76/490087476.db2.gz FLEMERRANVIDIZ-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CCc1nncn1CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000545260337 490106481 /nfs/dbraw/zinc/10/64/81/490106481.db2.gz UDVSGCFMOPRVNG-MRXNPFEDSA-N 2 1 365.526 0.898 20 0 FCADMP COCc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000479734817 490119000 /nfs/dbraw/zinc/11/90/00/490119000.db2.gz LJOMPBHTZNKMRY-UHFFFAOYSA-N 2 1 360.418 0.553 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414219 490119702 /nfs/dbraw/zinc/11/97/02/490119702.db2.gz VRFNAQGCOOZSPU-FUHWJXTLSA-N 2 1 356.511 0.347 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414219 490119708 /nfs/dbraw/zinc/11/97/08/490119708.db2.gz VRFNAQGCOOZSPU-FUHWJXTLSA-N 2 1 356.511 0.347 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379677477 490125192 /nfs/dbraw/zinc/12/51/92/490125192.db2.gz CPIQACGNTQKIFU-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000379674820 490126076 /nfs/dbraw/zinc/12/60/76/490126076.db2.gz VKZGNGVWLXJEAD-RDJZCZTQSA-N 2 1 355.504 0.805 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000422095896 490146635 /nfs/dbraw/zinc/14/66/35/490146635.db2.gz HTQIZBGGTWSPOF-INIZCTEOSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000422095896 490146649 /nfs/dbraw/zinc/14/66/49/490146649.db2.gz HTQIZBGGTWSPOF-INIZCTEOSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839717 490147516 /nfs/dbraw/zinc/14/75/16/490147516.db2.gz JJUXCQDMSIHEGR-OAGGEKHMSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839717 490147523 /nfs/dbraw/zinc/14/75/23/490147523.db2.gz JJUXCQDMSIHEGR-OAGGEKHMSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839717 490147531 /nfs/dbraw/zinc/14/75/31/490147531.db2.gz JJUXCQDMSIHEGR-OAGGEKHMSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000465948202 490155939 /nfs/dbraw/zinc/15/59/39/490155939.db2.gz AWVGXMHFRRMICF-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465953642 490158386 /nfs/dbraw/zinc/15/83/86/490158386.db2.gz STQBKRFKHVBWQE-GDBMZVCRSA-N 2 1 364.494 0.714 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465953642 490158392 /nfs/dbraw/zinc/15/83/92/490158392.db2.gz STQBKRFKHVBWQE-GDBMZVCRSA-N 2 1 364.494 0.714 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000422126702 490178280 /nfs/dbraw/zinc/17/82/80/490178280.db2.gz XAJNSMJGACKGCZ-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507153977 490181997 /nfs/dbraw/zinc/18/19/97/490181997.db2.gz KZBMPBIWWLPNEQ-UKRRQHHQSA-N 2 1 354.414 0.949 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000497790942 490217226 /nfs/dbraw/zinc/21/72/26/490217226.db2.gz OBIYNWDJFZQHLK-MRXNPFEDSA-N 2 1 355.504 0.905 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000497852711 490222485 /nfs/dbraw/zinc/22/24/85/490222485.db2.gz KVCQMPDNNWOGQX-IXDOHACOSA-N 2 1 365.522 0.842 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497852712 490222565 /nfs/dbraw/zinc/22/25/65/490222565.db2.gz KVCQMPDNNWOGQX-ZACQAIPSSA-N 2 1 365.522 0.842 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000497852031 490223556 /nfs/dbraw/zinc/22/35/56/490223556.db2.gz HJOSBUZONNQDCD-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000497852031 490223560 /nfs/dbraw/zinc/22/35/60/490223560.db2.gz HJOSBUZONNQDCD-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000497852031 490223563 /nfs/dbraw/zinc/22/35/63/490223563.db2.gz HJOSBUZONNQDCD-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466919340 490224384 /nfs/dbraw/zinc/22/43/84/490224384.db2.gz DOUQWDNZPYFXIF-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387757 490228452 /nfs/dbraw/zinc/22/84/52/490228452.db2.gz UUGXYKMAQUEHHC-WMZOPIPTSA-N 2 1 371.522 0.321 20 0 FCADMP COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387757 490228460 /nfs/dbraw/zinc/22/84/60/490228460.db2.gz UUGXYKMAQUEHHC-WMZOPIPTSA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H](C[NH3+])CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000447449111 490235650 /nfs/dbraw/zinc/23/56/50/490235650.db2.gz NSEMUDQQABPAGV-CQSZACIVSA-N 2 1 361.446 0.740 20 0 FCADMP CC[C@H]1CN(CC)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521201653 490236056 /nfs/dbraw/zinc/23/60/56/490236056.db2.gz NQGCWUWDMRCZMF-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)CC1 ZINC000521231484 490238966 /nfs/dbraw/zinc/23/89/66/490238966.db2.gz OJQFOTWZESBMSC-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)CC1 ZINC000521231482 490239511 /nfs/dbraw/zinc/23/95/11/490239511.db2.gz OJQFOTWZESBMSC-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCC[C@@H](C)C1 ZINC000556363873 491312310 /nfs/dbraw/zinc/31/23/10/491312310.db2.gz PFEXHRSEBZDBNB-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000556363873 491312312 /nfs/dbraw/zinc/31/23/12/491312312.db2.gz PFEXHRSEBZDBNB-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000556363873 491312314 /nfs/dbraw/zinc/31/23/14/491312314.db2.gz PFEXHRSEBZDBNB-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517038 491312709 /nfs/dbraw/zinc/31/27/09/491312709.db2.gz ZQHYGRRHTCXUFV-GOEBONIOSA-N 2 1 359.478 0.385 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517038 491312711 /nfs/dbraw/zinc/31/27/11/491312711.db2.gz ZQHYGRRHTCXUFV-GOEBONIOSA-N 2 1 359.478 0.385 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000521663881 490288137 /nfs/dbraw/zinc/28/81/37/490288137.db2.gz NZUFDDOYUKRNEA-HNNXBMFYSA-N 2 1 353.511 0.888 20 0 FCADMP C[NH+](C)CCOc1ccccc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000521677058 490290851 /nfs/dbraw/zinc/29/08/51/490290851.db2.gz HKRGBMAZXUTHNG-INIZCTEOSA-N 2 1 362.474 0.697 20 0 FCADMP C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447919335 490294573 /nfs/dbraw/zinc/29/45/73/490294573.db2.gz DSZMEIXXGSXEAR-GDAAHCPNSA-N 2 1 361.486 0.895 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000571550668 491315200 /nfs/dbraw/zinc/31/52/00/491315200.db2.gz NDWQJUKNRCFZHA-AEFFLSMTSA-N 2 1 358.486 0.917 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000521884015 490308177 /nfs/dbraw/zinc/30/81/77/490308177.db2.gz VYBATDOVBHVBHS-INIZCTEOSA-N 2 1 361.490 0.767 20 0 FCADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897326 490309650 /nfs/dbraw/zinc/30/96/50/490309650.db2.gz BGJMKTBTVMGNDH-RDJZCZTQSA-N 2 1 361.490 0.476 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534275639 490340420 /nfs/dbraw/zinc/34/04/20/490340420.db2.gz BQWUCHJMJCBWFG-ZWKOTPCHSA-N 2 1 372.517 0.098 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534275639 490340424 /nfs/dbraw/zinc/34/04/24/490340424.db2.gz BQWUCHJMJCBWFG-ZWKOTPCHSA-N 2 1 372.517 0.098 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534275637 490340808 /nfs/dbraw/zinc/34/08/08/490340808.db2.gz BQWUCHJMJCBWFG-QZTJIDSGSA-N 2 1 372.517 0.098 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534275637 490340813 /nfs/dbraw/zinc/34/08/13/490340813.db2.gz BQWUCHJMJCBWFG-QZTJIDSGSA-N 2 1 372.517 0.098 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508635257 490342650 /nfs/dbraw/zinc/34/26/50/490342650.db2.gz XQMKTBJOQPBIGZ-BZSNNMDCSA-N 2 1 354.539 0.874 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484091 490351347 /nfs/dbraw/zinc/35/13/47/490351347.db2.gz BWIWKBXXKMHBSO-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC1=O ZINC000522187722 490351483 /nfs/dbraw/zinc/35/14/83/490351483.db2.gz ZMKRZXZTRGYLSE-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000508711386 490351919 /nfs/dbraw/zinc/35/19/19/490351919.db2.gz YOJGLSNVAJGBLL-QGZVFWFLSA-N 2 1 368.522 0.596 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000522207017 490354057 /nfs/dbraw/zinc/35/40/57/490354057.db2.gz JQPZLZYFJPMEPX-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000522207017 490354062 /nfs/dbraw/zinc/35/40/62/490354062.db2.gz JQPZLZYFJPMEPX-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000498955919 490371546 /nfs/dbraw/zinc/37/15/46/490371546.db2.gz IXRSQUMQHXUHCP-INIZCTEOSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000498955919 490371552 /nfs/dbraw/zinc/37/15/52/490371552.db2.gz IXRSQUMQHXUHCP-INIZCTEOSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000498955919 490371557 /nfs/dbraw/zinc/37/15/57/490371557.db2.gz IXRSQUMQHXUHCP-INIZCTEOSA-N 2 1 350.507 0.991 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571659618 491321772 /nfs/dbraw/zinc/32/17/72/491321772.db2.gz KSUMLJQHUAIZFG-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571659618 491321774 /nfs/dbraw/zinc/32/17/74/491321774.db2.gz KSUMLJQHUAIZFG-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000410993827 490378486 /nfs/dbraw/zinc/37/84/86/490378486.db2.gz ZEZSLOLMPTXESF-BZSNNMDCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410993827 490378495 /nfs/dbraw/zinc/37/84/95/490378495.db2.gz ZEZSLOLMPTXESF-BZSNNMDCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410993827 490378499 /nfs/dbraw/zinc/37/84/99/490378499.db2.gz ZEZSLOLMPTXESF-BZSNNMDCSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000522443411 490378634 /nfs/dbraw/zinc/37/86/34/490378634.db2.gz DUGOFBKWCHSLCS-ULQDDVLXSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522443411 490378639 /nfs/dbraw/zinc/37/86/39/490378639.db2.gz DUGOFBKWCHSLCS-ULQDDVLXSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000522443411 490378643 /nfs/dbraw/zinc/37/86/43/490378643.db2.gz DUGOFBKWCHSLCS-ULQDDVLXSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000522443412 490378730 /nfs/dbraw/zinc/37/87/30/490378730.db2.gz DUGOFBKWCHSLCS-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522443412 490378733 /nfs/dbraw/zinc/37/87/33/490378733.db2.gz DUGOFBKWCHSLCS-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000522443412 490378734 /nfs/dbraw/zinc/37/87/34/490378734.db2.gz DUGOFBKWCHSLCS-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000411035441 490381486 /nfs/dbraw/zinc/38/14/86/490381486.db2.gz ZEQPLZFIXLSTOE-KRWDZBQOSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000411035441 490381493 /nfs/dbraw/zinc/38/14/93/490381493.db2.gz ZEQPLZFIXLSTOE-KRWDZBQOSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000411035441 490381500 /nfs/dbraw/zinc/38/15/00/490381500.db2.gz ZEQPLZFIXLSTOE-KRWDZBQOSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000411035441 490381507 /nfs/dbraw/zinc/38/15/07/490381507.db2.gz ZEQPLZFIXLSTOE-KRWDZBQOSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000411035441 490381513 /nfs/dbraw/zinc/38/15/13/490381513.db2.gz ZEQPLZFIXLSTOE-KRWDZBQOSA-N 2 1 369.554 0.269 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000448904455 490386730 /nfs/dbraw/zinc/38/67/30/490386730.db2.gz QGXLBMNNLGUMMK-UHFFFAOYSA-N 2 1 368.441 0.648 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739114 491323947 /nfs/dbraw/zinc/32/39/47/491323947.db2.gz BHGVUVJPFWASBD-OKZBNKHCSA-N 2 1 371.485 0.462 20 0 FCADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449398012 490411482 /nfs/dbraw/zinc/41/14/82/490411482.db2.gz SLDDKGHZOOFIMO-PXNSSMCTSA-N 2 1 356.470 0.341 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423521 490425982 /nfs/dbraw/zinc/42/59/82/490425982.db2.gz AUXUSDVKDZTUAA-QGZVFWFLSA-N 2 1 370.538 0.976 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C(C)[C@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000449814307 490428718 /nfs/dbraw/zinc/42/87/18/490428718.db2.gz KKDMILJYWYGJJL-BRSBDYLESA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000535007803 490435397 /nfs/dbraw/zinc/43/53/97/490435397.db2.gz NMLIFYNPRMNPIL-OTWHNJEPSA-N 2 1 363.550 0.393 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535007803 490435403 /nfs/dbraw/zinc/43/54/03/490435403.db2.gz NMLIFYNPRMNPIL-OTWHNJEPSA-N 2 1 363.550 0.393 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000535007803 490435407 /nfs/dbraw/zinc/43/54/07/490435407.db2.gz NMLIFYNPRMNPIL-OTWHNJEPSA-N 2 1 363.550 0.393 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000422633594 490436278 /nfs/dbraw/zinc/43/62/78/490436278.db2.gz IODPJAKIBQLIJX-ZJPYXAASSA-N 2 1 354.539 0.765 20 0 FCADMP CC1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000449944334 490438024 /nfs/dbraw/zinc/43/80/24/490438024.db2.gz HLQMMFMOQKKZRX-WNRNVDISSA-N 2 1 364.534 0.974 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703486 490457317 /nfs/dbraw/zinc/45/73/17/490457317.db2.gz FMXSQEBYXSJOPE-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703486 490457321 /nfs/dbraw/zinc/45/73/21/490457321.db2.gz FMXSQEBYXSJOPE-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000484703486 490457326 /nfs/dbraw/zinc/45/73/26/490457326.db2.gz FMXSQEBYXSJOPE-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000509723937 490458542 /nfs/dbraw/zinc/45/85/42/490458542.db2.gz ZZPZTHWFMRRIFL-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000509739909 490459009 /nfs/dbraw/zinc/45/90/09/490459009.db2.gz WTBNCDZUMCDHCY-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000509739909 490459019 /nfs/dbraw/zinc/45/90/19/490459019.db2.gz WTBNCDZUMCDHCY-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000509739909 490459024 /nfs/dbraw/zinc/45/90/24/490459024.db2.gz WTBNCDZUMCDHCY-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCCCC1 ZINC000523453786 490467137 /nfs/dbraw/zinc/46/71/37/490467137.db2.gz FCLSFEOYDHWCGT-OAHLLOKOSA-N 2 1 353.511 0.890 20 0 FCADMP c1cnc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)nc1 ZINC000484773542 490467436 /nfs/dbraw/zinc/46/74/36/490467436.db2.gz BPEZLFHQMOEKJR-QRVBRYPASA-N 2 1 374.533 0.735 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)CSCC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000535261028 490471636 /nfs/dbraw/zinc/47/16/36/490471636.db2.gz JDRHTEAVWGGNQO-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)CSCC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000535261028 490471642 /nfs/dbraw/zinc/47/16/42/490471642.db2.gz JDRHTEAVWGGNQO-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)CSCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000535261028 490471647 /nfs/dbraw/zinc/47/16/47/490471647.db2.gz JDRHTEAVWGGNQO-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909478 490477701 /nfs/dbraw/zinc/47/77/01/490477701.db2.gz SPRCSQBPUANTDF-ZFWWWQNUSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941690 490480858 /nfs/dbraw/zinc/48/08/58/490480858.db2.gz YEABOIWQMLRWIP-UKTARXLSSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941690 490480863 /nfs/dbraw/zinc/48/08/63/490480863.db2.gz YEABOIWQMLRWIP-UKTARXLSSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966224 490483779 /nfs/dbraw/zinc/48/37/79/490483779.db2.gz AUPFQMLDAQXUOK-FUHWJXTLSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966224 490483787 /nfs/dbraw/zinc/48/37/87/490483787.db2.gz AUPFQMLDAQXUOK-FUHWJXTLSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966228 490483835 /nfs/dbraw/zinc/48/38/35/490483835.db2.gz AUPFQMLDAQXUOK-WMZOPIPTSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966228 490483840 /nfs/dbraw/zinc/48/38/40/490483840.db2.gz AUPFQMLDAQXUOK-WMZOPIPTSA-N 2 1 360.502 0.804 20 0 FCADMP COc1cnc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)nc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000450775140 490488251 /nfs/dbraw/zinc/48/82/51/490488251.db2.gz FDVYGTNGTYZHKJ-CAOSSQGBSA-N 2 1 358.490 0.766 20 0 FCADMP COc1cnc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)nc1N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000450775140 490488257 /nfs/dbraw/zinc/48/82/57/490488257.db2.gz FDVYGTNGTYZHKJ-CAOSSQGBSA-N 2 1 358.490 0.766 20 0 FCADMP COc1cnc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)nc1N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000450775140 490488262 /nfs/dbraw/zinc/48/82/62/490488262.db2.gz FDVYGTNGTYZHKJ-CAOSSQGBSA-N 2 1 358.490 0.766 20 0 FCADMP CN(C)C(=O)[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000523853441 490500629 /nfs/dbraw/zinc/50/06/29/490500629.db2.gz NFIMSFDKQHTAEQ-LJQANCHMSA-N 2 1 362.518 0.796 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000523915384 490503196 /nfs/dbraw/zinc/50/31/96/490503196.db2.gz BLEYWHKRGNIVCE-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980173 490509863 /nfs/dbraw/zinc/50/98/63/490509863.db2.gz OSNHDWJAYBPJAK-SJORKVTESA-N 2 1 355.523 0.990 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000510381833 490512458 /nfs/dbraw/zinc/51/24/58/490512458.db2.gz ZQAXUCWOMLTWPU-BBWFWOEESA-N 2 1 352.523 0.881 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423040067 490527225 /nfs/dbraw/zinc/52/72/25/490527225.db2.gz SJNLXEAWUYDVHF-WMZOPIPTSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485484245 490533806 /nfs/dbraw/zinc/53/38/06/490533806.db2.gz YOUAOTPQYKSWOI-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485562853 490543523 /nfs/dbraw/zinc/54/35/23/490543523.db2.gz QRTJKKOCEJHIQP-UHFFFAOYSA-N 2 1 373.501 0.967 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC000500762422 490549813 /nfs/dbraw/zinc/54/98/13/490549813.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 1 356.511 0.849 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)CCN1CCOC ZINC000500762422 490549818 /nfs/dbraw/zinc/54/98/18/490549818.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 1 356.511 0.849 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564916215 491335948 /nfs/dbraw/zinc/33/59/48/491335948.db2.gz UJRQMSLDSJXEBB-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485814847 490560406 /nfs/dbraw/zinc/56/04/06/490560406.db2.gz HFMJNEYWDVVTBL-CYBMUJFWSA-N 2 1 362.478 0.207 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCn3nc4ccccn4c3=O)C2)CC1 ZINC000525171017 490580024 /nfs/dbraw/zinc/58/00/24/490580024.db2.gz LBRXNHKZBPFCTK-QGZVFWFLSA-N 2 1 358.490 0.596 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556796943 491337975 /nfs/dbraw/zinc/33/79/75/491337975.db2.gz CLXPVVUBMGPDPW-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)CC[NH+](C)C ZINC000556796943 491337976 /nfs/dbraw/zinc/33/79/76/491337976.db2.gz CLXPVVUBMGPDPW-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000525302924 490594851 /nfs/dbraw/zinc/59/48/51/490594851.db2.gz ZNBLNHXGFUFVRZ-IRXDYDNUSA-N 2 1 365.522 0.844 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000525302922 490595350 /nfs/dbraw/zinc/59/53/50/490595350.db2.gz ZNBLNHXGFUFVRZ-DLBZAZTESA-N 2 1 365.522 0.844 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000571951356 491339403 /nfs/dbraw/zinc/33/94/03/491339403.db2.gz PIWHBNGVOKZHOL-UHFFFAOYSA-N 2 1 370.538 0.527 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000549877449 490613617 /nfs/dbraw/zinc/61/36/17/490613617.db2.gz DUFIFQKRHQFIMK-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000549877449 490613623 /nfs/dbraw/zinc/61/36/23/490613623.db2.gz DUFIFQKRHQFIMK-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000536860447 490618488 /nfs/dbraw/zinc/61/84/88/490618488.db2.gz ZRVKAHCYBKTALI-ZBFHGGJFSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000536860447 490618493 /nfs/dbraw/zinc/61/84/93/490618493.db2.gz ZRVKAHCYBKTALI-ZBFHGGJFSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000536860438 490619447 /nfs/dbraw/zinc/61/94/47/490619447.db2.gz ZRVKAHCYBKTALI-GDBMZVCRSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000536860438 490619453 /nfs/dbraw/zinc/61/94/53/490619453.db2.gz ZRVKAHCYBKTALI-GDBMZVCRSA-N 2 1 360.524 0.100 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619629 490623943 /nfs/dbraw/zinc/62/39/43/490623943.db2.gz CQXMJFJLEKSDGB-HFTRVMKXSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619629 490623949 /nfs/dbraw/zinc/62/39/49/490623949.db2.gz CQXMJFJLEKSDGB-HFTRVMKXSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619629 490623953 /nfs/dbraw/zinc/62/39/53/490623953.db2.gz CQXMJFJLEKSDGB-HFTRVMKXSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1[NH+](C)C ZINC000501632858 490628564 /nfs/dbraw/zinc/62/85/64/490628564.db2.gz BJDKZQFWKXDWBJ-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640296 490629387 /nfs/dbraw/zinc/62/93/87/490629387.db2.gz OZRAZTRSCANDNO-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640296 490629391 /nfs/dbraw/zinc/62/93/91/490629391.db2.gz OZRAZTRSCANDNO-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640296 490629392 /nfs/dbraw/zinc/62/93/92/490629392.db2.gz OZRAZTRSCANDNO-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000550132158 490629485 /nfs/dbraw/zinc/62/94/85/490629485.db2.gz BXTTUIZZYLDFDH-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645985 490630736 /nfs/dbraw/zinc/63/07/36/490630736.db2.gz MVKHMZJKRPNDNY-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550294291 490656631 /nfs/dbraw/zinc/65/66/31/490656631.db2.gz CTYUWPZWUQYYHF-HOCLYGCPSA-N 2 1 350.507 0.964 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@H+]1CC=CCC1 ZINC000526027545 490667107 /nfs/dbraw/zinc/66/71/07/490667107.db2.gz PPFNQNYYPFSJHU-KRWDZBQOSA-N 2 1 364.490 0.078 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000526027545 490667112 /nfs/dbraw/zinc/66/71/12/490667112.db2.gz PPFNQNYYPFSJHU-KRWDZBQOSA-N 2 1 364.490 0.078 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486817834 490673698 /nfs/dbraw/zinc/67/36/98/490673698.db2.gz ICOADIYTCKXIEZ-NNOPRSJTSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486817834 490673701 /nfs/dbraw/zinc/67/37/01/490673701.db2.gz ICOADIYTCKXIEZ-NNOPRSJTSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486817834 490673703 /nfs/dbraw/zinc/67/37/03/490673703.db2.gz ICOADIYTCKXIEZ-NNOPRSJTSA-N 2 1 364.534 0.925 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCN1CC[NH+](CC)CC1 ZINC000512363173 490677679 /nfs/dbraw/zinc/67/76/79/490677679.db2.gz PRXSGRUUHFEBSG-IBGZPJMESA-N 3 1 367.582 0.889 20 0 FCADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000512363173 490677683 /nfs/dbraw/zinc/67/76/83/490677683.db2.gz PRXSGRUUHFEBSG-IBGZPJMESA-N 3 1 367.582 0.889 20 0 FCADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000512363173 490677688 /nfs/dbraw/zinc/67/76/88/490677688.db2.gz PRXSGRUUHFEBSG-IBGZPJMESA-N 3 1 367.582 0.889 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550584462 490678587 /nfs/dbraw/zinc/67/85/87/490678587.db2.gz YMXTUZGOAGMJDY-IYBDPMFKSA-N 2 1 370.538 0.791 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550584462 490678590 /nfs/dbraw/zinc/67/85/90/490678590.db2.gz YMXTUZGOAGMJDY-IYBDPMFKSA-N 2 1 370.538 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486989799 490684719 /nfs/dbraw/zinc/68/47/19/490684719.db2.gz NLTWVNNVWFHGSY-NCOADZHNSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486989799 490684726 /nfs/dbraw/zinc/68/47/26/490684726.db2.gz NLTWVNNVWFHGSY-NCOADZHNSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486989799 490684730 /nfs/dbraw/zinc/68/47/30/490684730.db2.gz NLTWVNNVWFHGSY-NCOADZHNSA-N 2 1 352.523 0.737 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000512666942 490692761 /nfs/dbraw/zinc/69/27/61/490692761.db2.gz MYBUTJKDLLPNHE-ROUUACIJSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512666942 490692765 /nfs/dbraw/zinc/69/27/65/490692765.db2.gz MYBUTJKDLLPNHE-ROUUACIJSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000512666942 490692770 /nfs/dbraw/zinc/69/27/70/490692770.db2.gz MYBUTJKDLLPNHE-ROUUACIJSA-N 2 1 367.538 0.303 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281394 490703244 /nfs/dbraw/zinc/70/32/44/490703244.db2.gz MYLHWAQSHORMBJ-AJNGGQMLSA-N 2 1 364.469 0.773 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281394 490703246 /nfs/dbraw/zinc/70/32/46/490703246.db2.gz MYLHWAQSHORMBJ-AJNGGQMLSA-N 2 1 364.469 0.773 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513242061 490716376 /nfs/dbraw/zinc/71/63/76/490716376.db2.gz XPPSHQURLGQIFE-ULQDDVLXSA-N 2 1 368.522 0.498 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513242059 490716559 /nfs/dbraw/zinc/71/65/59/490716559.db2.gz XPPSHQURLGQIFE-BBWFWOEESA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238484 490716644 /nfs/dbraw/zinc/71/66/44/490716644.db2.gz MXUBHKUVUAMNJD-YVSFHVDLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000513238484 490716648 /nfs/dbraw/zinc/71/66/48/490716648.db2.gz MXUBHKUVUAMNJD-YVSFHVDLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1=O ZINC000513238484 490716651 /nfs/dbraw/zinc/71/66/51/490716651.db2.gz MXUBHKUVUAMNJD-YVSFHVDLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238482 490716905 /nfs/dbraw/zinc/71/69/05/490716905.db2.gz MXUBHKUVUAMNJD-TWMKSMIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000513238482 490716907 /nfs/dbraw/zinc/71/69/07/490716907.db2.gz MXUBHKUVUAMNJD-TWMKSMIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1=O ZINC000513238482 490716909 /nfs/dbraw/zinc/71/69/09/490716909.db2.gz MXUBHKUVUAMNJD-TWMKSMIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000487553957 490718121 /nfs/dbraw/zinc/71/81/21/490718121.db2.gz QLSZNTGPTJKRMR-NXNVCVFFSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000487553957 490718123 /nfs/dbraw/zinc/71/81/23/490718123.db2.gz QLSZNTGPTJKRMR-NXNVCVFFSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000487553957 490718126 /nfs/dbraw/zinc/71/81/26/490718126.db2.gz QLSZNTGPTJKRMR-NXNVCVFFSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462295 490730485 /nfs/dbraw/zinc/73/04/85/490730485.db2.gz CZUMOVJRTKRRIR-CVEARBPZSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)O1 ZINC000527558053 490738008 /nfs/dbraw/zinc/73/80/08/490738008.db2.gz KPCZLYFGILJJSN-UKPHBRMFSA-N 2 1 351.447 0.646 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)O1 ZINC000527558053 490738010 /nfs/dbraw/zinc/73/80/10/490738010.db2.gz KPCZLYFGILJJSN-UKPHBRMFSA-N 2 1 351.447 0.646 20 0 FCADMP C[N@@H+]1CC=C(c2ccc(S(=O)(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000527588280 490748261 /nfs/dbraw/zinc/74/82/61/490748261.db2.gz PXMHSQHMQJVLRH-UHFFFAOYSA-N 2 1 365.499 0.704 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000488190966 490750492 /nfs/dbraw/zinc/75/04/92/490750492.db2.gz GLKATQSZAIPNGV-KZNAEPCWSA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000488190966 490750494 /nfs/dbraw/zinc/75/04/94/490750494.db2.gz GLKATQSZAIPNGV-KZNAEPCWSA-N 2 1 370.538 0.830 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000503319901 490751508 /nfs/dbraw/zinc/75/15/08/490751508.db2.gz JDNNJMIBTLWODH-UHFFFAOYSA-N 2 1 353.511 0.762 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000488249196 490751639 /nfs/dbraw/zinc/75/16/39/490751639.db2.gz KIKFXZRHFIKXPX-HNNXBMFYSA-N 2 1 356.536 0.483 20 0 FCADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882900 490752807 /nfs/dbraw/zinc/75/28/07/490752807.db2.gz RQNLRSPDWYSIDL-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882900 490752811 /nfs/dbraw/zinc/75/28/11/490752811.db2.gz RQNLRSPDWYSIDL-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513964941 490756622 /nfs/dbraw/zinc/75/66/22/490756622.db2.gz QKDHRBFKGLDUBO-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@]3(CO)COc4ccccc4C3)cn2)CC1 ZINC000527769731 490758447 /nfs/dbraw/zinc/75/84/47/490758447.db2.gz QZXDFPBRJSOKNF-HXUWFJFHSA-N 2 1 369.469 0.684 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663238 490779871 /nfs/dbraw/zinc/77/98/71/490779871.db2.gz HZUGRZLEGQFEDN-GJZGRUSLSA-N 2 1 359.465 0.795 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132686 491355936 /nfs/dbraw/zinc/35/59/36/491355936.db2.gz CZKVXSVYSWLGST-HLLBOEOZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000557132686 491355938 /nfs/dbraw/zinc/35/59/38/491355938.db2.gz CZKVXSVYSWLGST-HLLBOEOZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000557132686 491355941 /nfs/dbraw/zinc/35/59/41/491355941.db2.gz CZKVXSVYSWLGST-HLLBOEOZSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000514861880 490793456 /nfs/dbraw/zinc/79/34/56/490793456.db2.gz VKTQZMFMUOTUKE-JJRVBVJISA-N 2 1 362.474 0.111 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156137 491356304 /nfs/dbraw/zinc/35/63/04/491356304.db2.gz IEELOITYNQCWHS-UKRRQHHQSA-N 2 1 368.503 0.194 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000515085091 490808083 /nfs/dbraw/zinc/80/80/83/490808083.db2.gz QZOXCXBOGPNZTB-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000515085091 490808084 /nfs/dbraw/zinc/80/80/84/490808084.db2.gz QZOXCXBOGPNZTB-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000515085091 490808087 /nfs/dbraw/zinc/80/80/87/490808087.db2.gz QZOXCXBOGPNZTB-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000515085091 490808090 /nfs/dbraw/zinc/80/80/90/490808090.db2.gz QZOXCXBOGPNZTB-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604920 490811791 /nfs/dbraw/zinc/81/17/91/490811791.db2.gz PGQZTFDVLXBULT-XGXHKWSGSA-N 2 1 361.486 0.298 20 0 FCADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299927 490814738 /nfs/dbraw/zinc/81/47/38/490814738.db2.gz VRDGRTNTKDMTNW-UKRRQHHQSA-N 2 1 368.503 0.572 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000540299927 490814742 /nfs/dbraw/zinc/81/47/42/490814742.db2.gz VRDGRTNTKDMTNW-UKRRQHHQSA-N 2 1 368.503 0.572 20 0 FCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)CC1 ZINC000505068683 490818945 /nfs/dbraw/zinc/81/89/45/490818945.db2.gz OKQQYGAQRYRJEG-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC000515346945 490820305 /nfs/dbraw/zinc/82/03/05/490820305.db2.gz HCPHOTLHCYCDQX-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC000515346943 490820571 /nfs/dbraw/zinc/82/05/71/490820571.db2.gz HCPHOTLHCYCDQX-CVEARBPZSA-N 2 1 350.507 0.825 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000515528194 490830895 /nfs/dbraw/zinc/83/08/95/490830895.db2.gz PLAUSKYJPUKKOL-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000557184624 491358850 /nfs/dbraw/zinc/35/88/50/491358850.db2.gz WITUNBJFEMCXDT-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557237402 491360771 /nfs/dbraw/zinc/36/07/71/491360771.db2.gz QXUGOJDTENBZRD-ZRNYENFQSA-N 2 1 369.513 0.806 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000540965234 490843063 /nfs/dbraw/zinc/84/30/63/490843063.db2.gz QEDUESPIVWBSME-HNNXBMFYSA-N 2 1 365.522 0.879 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000516027813 490846531 /nfs/dbraw/zinc/84/65/31/490846531.db2.gz TWSSRQXGLRMCKW-WBVHZDCISA-N 2 1 368.522 0.437 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529309053 490849884 /nfs/dbraw/zinc/84/98/84/490849884.db2.gz YHAJKTVUQRHQEV-SJORKVTESA-N 2 1 353.511 0.032 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529357317 490856367 /nfs/dbraw/zinc/85/63/67/490856367.db2.gz LBPHRQJQFZJNNN-MRXNPFEDSA-N 2 1 363.506 0.467 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000529377340 490858395 /nfs/dbraw/zinc/85/83/95/490858395.db2.gz VDYLOJMGHQZWLK-KZNAEPCWSA-N 2 1 362.474 0.157 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000516591852 490869889 /nfs/dbraw/zinc/86/98/89/490869889.db2.gz BLRBMMXFHONBHK-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC000541750279 490871100 /nfs/dbraw/zinc/87/11/00/490871100.db2.gz FDXXXPGPEWQGQG-SFHVURJKSA-N 2 1 365.566 0.498 20 0 FCADMP CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000541809488 490872888 /nfs/dbraw/zinc/87/28/88/490872888.db2.gz IUTCDJAVNCAWGY-GOSISDBHSA-N 2 1 363.550 0.252 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000516786821 490878233 /nfs/dbraw/zinc/87/82/33/490878233.db2.gz GWNLHDQRJPFNHR-OWCLPIDISA-N 2 1 351.495 0.452 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878203 490882625 /nfs/dbraw/zinc/88/26/25/490882625.db2.gz BXLDBNLYHZVUCS-LSDHHAIUSA-N 2 1 369.425 0.592 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878203 490882627 /nfs/dbraw/zinc/88/26/27/490882627.db2.gz BXLDBNLYHZVUCS-LSDHHAIUSA-N 2 1 369.425 0.592 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878201 490882960 /nfs/dbraw/zinc/88/29/60/490882960.db2.gz BXLDBNLYHZVUCS-GJZGRUSLSA-N 2 1 369.425 0.592 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878201 490882962 /nfs/dbraw/zinc/88/29/62/490882962.db2.gz BXLDBNLYHZVUCS-GJZGRUSLSA-N 2 1 369.425 0.592 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000557210712 491359650 /nfs/dbraw/zinc/35/96/50/491359650.db2.gz GLQBUEQAGSIHSL-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000557210712 491359653 /nfs/dbraw/zinc/35/96/53/491359653.db2.gz GLQBUEQAGSIHSL-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000517562157 490912076 /nfs/dbraw/zinc/91/20/76/490912076.db2.gz MRLITXDKRLAZCT-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000518004462 490927926 /nfs/dbraw/zinc/92/79/26/490927926.db2.gz UUYRJLIMCPBZOH-JYJNAYRXSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000518004462 490927928 /nfs/dbraw/zinc/92/79/28/490927928.db2.gz UUYRJLIMCPBZOH-JYJNAYRXSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000518004462 490927930 /nfs/dbraw/zinc/92/79/30/490927930.db2.gz UUYRJLIMCPBZOH-JYJNAYRXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380822 490931216 /nfs/dbraw/zinc/93/12/16/490931216.db2.gz RNSJRDAEMKAOBW-CVEARBPZSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300874 490951407 /nfs/dbraw/zinc/95/14/07/490951407.db2.gz XGKCPJFAUNTEQM-FXAWDEMLSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000531300874 490951411 /nfs/dbraw/zinc/95/14/11/490951411.db2.gz XGKCPJFAUNTEQM-FXAWDEMLSA-N 2 1 361.486 0.708 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000565256387 491366339 /nfs/dbraw/zinc/36/63/39/491366339.db2.gz ZJURSNJBKHCQBO-BZUAXINKSA-N 2 1 365.522 0.840 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000544668637 490975132 /nfs/dbraw/zinc/97/51/32/490975132.db2.gz WTRJLVFQMOTVDW-WBVHZDCISA-N 2 1 367.538 0.946 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531935304 490981273 /nfs/dbraw/zinc/98/12/73/490981273.db2.gz YUEHXSPKPGCUAC-QZTJIDSGSA-N 3 1 369.554 0.765 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000532010922 490983266 /nfs/dbraw/zinc/98/32/66/490983266.db2.gz AXQPMCOVBAEBIA-NXHRZFHOSA-N 2 1 368.522 0.632 20 0 FCADMP COCCN(C)C[C@@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166128 /nfs/dbraw/zinc/16/61/28/491166128.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166129 /nfs/dbraw/zinc/16/61/29/491166129.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166130 /nfs/dbraw/zinc/16/61/30/491166130.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[NH+](C)C[C@@H](O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166131 /nfs/dbraw/zinc/16/61/31/491166131.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[NH+](C)C[C@@H](O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166132 /nfs/dbraw/zinc/16/61/32/491166132.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 2 1 357.539 0.747 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC000553996422 491168748 /nfs/dbraw/zinc/16/87/48/491168748.db2.gz IBIBXCRUTBQQHG-ZSNVMCELSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996422 491168751 /nfs/dbraw/zinc/16/87/51/491168751.db2.gz IBIBXCRUTBQQHG-ZSNVMCELSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996422 491168753 /nfs/dbraw/zinc/16/87/53/491168753.db2.gz IBIBXCRUTBQQHG-ZSNVMCELSA-N 2 1 365.522 0.852 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000562526663 491171770 /nfs/dbraw/zinc/17/17/70/491171770.db2.gz NSBXPFGTINEYTN-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526663 491171773 /nfs/dbraw/zinc/17/17/73/491171773.db2.gz NSBXPFGTINEYTN-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526663 491171775 /nfs/dbraw/zinc/17/17/75/491171775.db2.gz NSBXPFGTINEYTN-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000562771388 491187292 /nfs/dbraw/zinc/18/72/92/491187292.db2.gz LJBNWFZJYBFLEI-SFHVURJKSA-N 2 1 358.486 0.960 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@H]1C ZINC000557491037 491377264 /nfs/dbraw/zinc/37/72/64/491377264.db2.gz FRRKNOQPFJENLW-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@H]1C ZINC000557491037 491377265 /nfs/dbraw/zinc/37/72/65/491377265.db2.gz FRRKNOQPFJENLW-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000557523967 491380707 /nfs/dbraw/zinc/38/07/07/491380707.db2.gz UAQUJHYNIFMJFS-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000557523967 491380708 /nfs/dbraw/zinc/38/07/08/491380708.db2.gz UAQUJHYNIFMJFS-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CC[N@@H+]1C ZINC000660281354 493339418 /nfs/dbraw/zinc/33/94/18/493339418.db2.gz XRIOPDTZOSFLPQ-LSDHHAIUSA-N 2 1 362.478 0.023 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572736264 491390193 /nfs/dbraw/zinc/39/01/93/491390193.db2.gz OEWVHEMXCFJJFA-TZMCWYRMSA-N 2 1 373.409 0.972 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572736264 491390194 /nfs/dbraw/zinc/39/01/94/491390194.db2.gz OEWVHEMXCFJJFA-TZMCWYRMSA-N 2 1 373.409 0.972 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572736262 491390295 /nfs/dbraw/zinc/39/02/95/491390295.db2.gz OEWVHEMXCFJJFA-JSGCOSHPSA-N 2 1 373.409 0.972 20 0 FCADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572736262 491390297 /nfs/dbraw/zinc/39/02/97/491390297.db2.gz OEWVHEMXCFJJFA-JSGCOSHPSA-N 2 1 373.409 0.972 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000572752158 491391261 /nfs/dbraw/zinc/39/12/61/491391261.db2.gz IZNIQHQHHUGVBU-UHFFFAOYSA-N 2 1 356.511 0.260 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000565714312 491394977 /nfs/dbraw/zinc/39/49/77/491394977.db2.gz ISVGVXCWGOWIPP-CABCVRRESA-N 2 1 361.490 0.999 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000565826631 491401926 /nfs/dbraw/zinc/40/19/26/491401926.db2.gz WRAKWGOZXJOJIM-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000565826631 491401927 /nfs/dbraw/zinc/40/19/27/491401927.db2.gz WRAKWGOZXJOJIM-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565826631 491401930 /nfs/dbraw/zinc/40/19/30/491401930.db2.gz WRAKWGOZXJOJIM-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000565826631 491401932 /nfs/dbraw/zinc/40/19/32/491401932.db2.gz WRAKWGOZXJOJIM-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H]1C ZINC000573075273 491410483 /nfs/dbraw/zinc/41/04/83/491410483.db2.gz UIONKRGDZUIQCU-KFWWJZLASA-N 2 1 371.489 0.988 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209456 491419390 /nfs/dbraw/zinc/41/93/90/491419390.db2.gz OHVUBKFLHKFVLH-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209456 491419392 /nfs/dbraw/zinc/41/93/92/491419392.db2.gz OHVUBKFLHKFVLH-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000558209456 491419395 /nfs/dbraw/zinc/41/93/95/491419395.db2.gz OHVUBKFLHKFVLH-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H](C)O1 ZINC000558548952 491435396 /nfs/dbraw/zinc/43/53/96/491435396.db2.gz FPAYMZMXIPSMQW-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCNc3cnccn3)CC2)CC1 ZINC000573503145 491437423 /nfs/dbraw/zinc/43/74/23/491437423.db2.gz JJBHSWAPTOCONF-UHFFFAOYSA-N 2 1 360.506 1.201 20 0 FCADMP C[N@H+](CCNC(=O)C1CC[NH+]([C@H]2CC(=O)NC2=O)CC1)Cc1ccccc1 ZINC000566412675 491442331 /nfs/dbraw/zinc/44/23/31/491442331.db2.gz JBSSMCSSFBFSIV-KRWDZBQOSA-N 2 1 372.469 0.362 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CC(=O)NC2=O)CC1)Cc1ccccc1 ZINC000566412675 491442333 /nfs/dbraw/zinc/44/23/33/491442333.db2.gz JBSSMCSSFBFSIV-KRWDZBQOSA-N 2 1 372.469 0.362 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660330719 493343325 /nfs/dbraw/zinc/34/33/25/493343325.db2.gz ULUHPOBIXNUZOO-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573932097 491463961 /nfs/dbraw/zinc/46/39/61/491463961.db2.gz BWTSMMYWRJLQEQ-JKSUJKDBSA-N 2 1 368.547 0.660 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559389921 491469590 /nfs/dbraw/zinc/46/95/90/491469590.db2.gz OCUNCWKXJCTUSS-GDBMZVCRSA-N 2 1 360.458 0.886 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000559389921 491469592 /nfs/dbraw/zinc/46/95/92/491469592.db2.gz OCUNCWKXJCTUSS-GDBMZVCRSA-N 2 1 360.458 0.886 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439902 491472838 /nfs/dbraw/zinc/47/28/38/491472838.db2.gz HMWJEIHCPRBZML-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000559439902 491472840 /nfs/dbraw/zinc/47/28/40/491472840.db2.gz HMWJEIHCPRBZML-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000559439902 491472843 /nfs/dbraw/zinc/47/28/43/491472843.db2.gz HMWJEIHCPRBZML-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000559442291 491473478 /nfs/dbraw/zinc/47/34/78/491473478.db2.gz SBPGIWCGVRFZLC-HOTGVXAUSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000559442291 491473479 /nfs/dbraw/zinc/47/34/79/491473479.db2.gz SBPGIWCGVRFZLC-HOTGVXAUSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000559442291 491473480 /nfs/dbraw/zinc/47/34/80/491473480.db2.gz SBPGIWCGVRFZLC-HOTGVXAUSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000559462714 491475582 /nfs/dbraw/zinc/47/55/82/491475582.db2.gz KPAYOSIBXZDCKZ-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000574167815 491478630 /nfs/dbraw/zinc/47/86/30/491478630.db2.gz UWMNPFUAAKREGN-XMTFNYHQSA-N 2 1 351.539 0.947 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567098800 491485829 /nfs/dbraw/zinc/48/58/29/491485829.db2.gz CENZNVQCFMSELR-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000567147054 491488510 /nfs/dbraw/zinc/48/85/10/491488510.db2.gz KQUCEYNFDINHBP-HNNXBMFYSA-N 2 1 363.462 0.029 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000567147055 491488745 /nfs/dbraw/zinc/48/87/45/491488745.db2.gz KQUCEYNFDINHBP-OAHLLOKOSA-N 2 1 363.462 0.029 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567163900 491489456 /nfs/dbraw/zinc/48/94/56/491489456.db2.gz GOHASUCKTAXXHU-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])CCO)CC2)cc1 ZINC000574330676 491489979 /nfs/dbraw/zinc/48/99/79/491489979.db2.gz XBVIPNJEKNCUTI-UHFFFAOYSA-N 2 1 362.518 0.707 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000567235823 491493352 /nfs/dbraw/zinc/49/33/52/491493352.db2.gz XULSURLKQYIHDT-RDJZCZTQSA-N 2 1 366.506 0.286 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000559744775 491495033 /nfs/dbraw/zinc/49/50/33/491495033.db2.gz CNRUTNLCDYFDIM-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000574421813 491495308 /nfs/dbraw/zinc/49/53/08/491495308.db2.gz GLTRNBVLVZYOSS-HNNXBMFYSA-N 2 1 365.478 0.131 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000574421813 491495310 /nfs/dbraw/zinc/49/53/10/491495310.db2.gz GLTRNBVLVZYOSS-HNNXBMFYSA-N 2 1 365.478 0.131 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000574484684 491500083 /nfs/dbraw/zinc/50/00/83/491500083.db2.gz REQABNWJYZULTO-KCYZZUKISA-N 2 1 366.506 0.201 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000559867245 491506271 /nfs/dbraw/zinc/50/62/71/491506271.db2.gz FVVDNOBOPOOYNH-CRAIPNDOSA-N 2 1 368.547 0.673 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567455979 491507439 /nfs/dbraw/zinc/50/74/39/491507439.db2.gz GCQNTLMASRGSFC-QGTPRVQTSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567455979 491507441 /nfs/dbraw/zinc/50/74/41/491507441.db2.gz GCQNTLMASRGSFC-QGTPRVQTSA-N 2 1 374.485 0.246 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCN1C ZINC000574598888 491507725 /nfs/dbraw/zinc/50/77/25/491507725.db2.gz DLVLVEXMFXRNGH-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000574598888 491507727 /nfs/dbraw/zinc/50/77/27/491507727.db2.gz DLVLVEXMFXRNGH-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000574598888 491507731 /nfs/dbraw/zinc/50/77/31/491507731.db2.gz DLVLVEXMFXRNGH-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000574598888 491507734 /nfs/dbraw/zinc/50/77/34/491507734.db2.gz DLVLVEXMFXRNGH-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571484 491514633 /nfs/dbraw/zinc/51/46/33/491514633.db2.gz HZPIFTFYZGJQFV-IAGOWNOFSA-N 2 1 355.527 0.408 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000574701653 491514726 /nfs/dbraw/zinc/51/47/26/491514726.db2.gz HGTNXEROUQWWAK-MRXNPFEDSA-N 2 1 370.563 0.873 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000567589093 491515934 /nfs/dbraw/zinc/51/59/34/491515934.db2.gz WMUJNALNWJVWIW-QZTJIDSGSA-N 2 1 365.474 0.821 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000567625582 491518526 /nfs/dbraw/zinc/51/85/26/491518526.db2.gz DKMNYFKXOUKJEX-CVEARBPZSA-N 2 1 361.490 0.989 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000567625582 491518529 /nfs/dbraw/zinc/51/85/29/491518529.db2.gz DKMNYFKXOUKJEX-CVEARBPZSA-N 2 1 361.490 0.989 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C2)C1 ZINC000560150991 491521209 /nfs/dbraw/zinc/52/12/09/491521209.db2.gz DMYMPWIPKVCCFM-LJQANCHMSA-N 2 1 374.489 0.643 20 0 FCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660387446 493348327 /nfs/dbraw/zinc/34/83/27/493348327.db2.gz DREWHXNXTSDIBP-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660387446 493348331 /nfs/dbraw/zinc/34/83/31/493348331.db2.gz DREWHXNXTSDIBP-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660387446 493348334 /nfs/dbraw/zinc/34/83/34/493348334.db2.gz DREWHXNXTSDIBP-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660387446 493348336 /nfs/dbraw/zinc/34/83/36/493348336.db2.gz DREWHXNXTSDIBP-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725659 491525177 /nfs/dbraw/zinc/52/51/77/491525177.db2.gz DKMQJRYGKYJTNS-QGZVFWFLSA-N 3 1 354.539 0.658 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725659 491525179 /nfs/dbraw/zinc/52/51/79/491525179.db2.gz DKMQJRYGKYJTNS-QGZVFWFLSA-N 3 1 354.539 0.658 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)NCC[NH+]1CCSCC1)C(C)C ZINC000575016059 491534096 /nfs/dbraw/zinc/53/40/96/491534096.db2.gz CUQGAODYRXGNBL-UHFFFAOYSA-N 2 1 358.552 0.777 20 0 FCADMP COC[C@]1(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000567836330 491533297 /nfs/dbraw/zinc/53/32/97/491533297.db2.gz SBAUHVVWLSFQDH-UYAOXDASSA-N 2 1 360.502 0.860 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038291 491535415 /nfs/dbraw/zinc/53/54/15/491535415.db2.gz LTEHPTVZIYHRGJ-QWHCGFSZSA-N 2 1 351.417 0.558 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567894650 491539070 /nfs/dbraw/zinc/53/90/70/491539070.db2.gz LYYFZUQQZMGRBF-OAHLLOKOSA-N 2 1 353.463 0.085 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567894650 491539073 /nfs/dbraw/zinc/53/90/73/491539073.db2.gz LYYFZUQQZMGRBF-OAHLLOKOSA-N 2 1 353.463 0.085 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000568061212 491551148 /nfs/dbraw/zinc/55/11/48/491551148.db2.gz ONFODLPNCWEZRP-MRXNPFEDSA-N 2 1 358.486 0.748 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000560666160 491551377 /nfs/dbraw/zinc/55/13/77/491551377.db2.gz GWPVJBBFXXYLLI-HNNXBMFYSA-N 2 1 362.449 0.856 20 0 FCADMP [NH3+]CCC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000568092947 491552817 /nfs/dbraw/zinc/55/28/17/491552817.db2.gz JJEFNEZENHKCBS-UHFFFAOYSA-N 2 1 358.486 0.748 20 0 FCADMP [NH3+]CCC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000568092947 491552819 /nfs/dbraw/zinc/55/28/19/491552819.db2.gz JJEFNEZENHKCBS-UHFFFAOYSA-N 2 1 358.486 0.748 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000560883890 491561438 /nfs/dbraw/zinc/56/14/38/491561438.db2.gz FZVUQJHOLDEQAU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000560883890 491561440 /nfs/dbraw/zinc/56/14/40/491561440.db2.gz FZVUQJHOLDEQAU-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000568292321 491567531 /nfs/dbraw/zinc/56/75/31/491567531.db2.gz KFGHTBUBVBGASX-CQSZACIVSA-N 2 1 352.504 0.884 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000575933176 491571283 /nfs/dbraw/zinc/57/12/83/491571283.db2.gz FSSOPYAIAHQQFQ-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3n2)C1 ZINC000668422157 493351349 /nfs/dbraw/zinc/35/13/49/493351349.db2.gz RQQDZWSNULVNSQ-OAHLLOKOSA-N 2 1 357.458 0.982 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136142 491578029 /nfs/dbraw/zinc/57/80/29/491578029.db2.gz AUKQWAQOOXONED-GVDBMIGSSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000561176690 491580161 /nfs/dbraw/zinc/58/01/61/491580161.db2.gz WOPZRNCEWUERGN-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000561176690 491580163 /nfs/dbraw/zinc/58/01/63/491580163.db2.gz WOPZRNCEWUERGN-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000561176690 491580165 /nfs/dbraw/zinc/58/01/65/491580165.db2.gz WOPZRNCEWUERGN-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000584530812 491601474 /nfs/dbraw/zinc/60/14/74/491601474.db2.gz ISTRXUQLPROTRT-GVDBMIGSSA-N 2 1 366.506 0.333 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(OC)nn3)CC2)CC1 ZINC000577361523 491615116 /nfs/dbraw/zinc/61/51/16/491615116.db2.gz CTULWBBNVZBIEV-UHFFFAOYSA-N 2 1 362.478 1.509 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc(OC)nn3)CC2)CC1 ZINC000577361523 491615120 /nfs/dbraw/zinc/61/51/20/491615120.db2.gz CTULWBBNVZBIEV-UHFFFAOYSA-N 2 1 362.478 1.509 20 0 FCADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389619 491618034 /nfs/dbraw/zinc/61/80/34/491618034.db2.gz IASGOKKUVZYPSI-KGLIPLIRSA-N 2 1 363.487 0.060 20 0 FCADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389619 491618037 /nfs/dbraw/zinc/61/80/37/491618037.db2.gz IASGOKKUVZYPSI-KGLIPLIRSA-N 2 1 363.487 0.060 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000577395266 491618823 /nfs/dbraw/zinc/61/88/23/491618823.db2.gz JKSGQARUUAHWCL-KGLIPLIRSA-N 2 1 352.504 0.677 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000568915979 491619650 /nfs/dbraw/zinc/61/96/50/491619650.db2.gz WTTGGNXXEIHKJU-IKGGRYGDSA-N 2 1 365.522 0.842 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000561596748 491620092 /nfs/dbraw/zinc/62/00/92/491620092.db2.gz PAORIHGSBYLRAI-HNNXBMFYSA-N 2 1 368.522 0.545 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000568966436 491622722 /nfs/dbraw/zinc/62/27/22/491622722.db2.gz OIBWSYFFXXFOJM-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000568966436 491622723 /nfs/dbraw/zinc/62/27/23/491622723.db2.gz OIBWSYFFXXFOJM-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000576626615 491631256 /nfs/dbraw/zinc/63/12/56/491631256.db2.gz AKZGQXSBPMVDIW-CVEARBPZSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000576626615 491631260 /nfs/dbraw/zinc/63/12/60/491631260.db2.gz AKZGQXSBPMVDIW-CVEARBPZSA-N 2 1 354.495 0.143 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554958 491632227 /nfs/dbraw/zinc/63/22/27/491632227.db2.gz NSMQUCCHWVKXKV-JKSUJKDBSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000577554958 491632228 /nfs/dbraw/zinc/63/22/28/491632228.db2.gz NSMQUCCHWVKXKV-JKSUJKDBSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000577554958 491632229 /nfs/dbraw/zinc/63/22/29/491632229.db2.gz NSMQUCCHWVKXKV-JKSUJKDBSA-N 2 1 366.506 0.370 20 0 FCADMP [NH3+]C1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CCC1 ZINC000569217946 491642698 /nfs/dbraw/zinc/64/26/98/491642698.db2.gz RGWLOQNGFXLLIE-UHFFFAOYSA-N 2 1 360.458 0.845 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000576787468 491645115 /nfs/dbraw/zinc/64/51/15/491645115.db2.gz ZZSPEQDHIYPRGH-HOCLYGCPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798403 491653275 /nfs/dbraw/zinc/65/32/75/491653275.db2.gz PCGHDFSDBOKENK-YOEHRIQHSA-N 2 1 366.506 0.155 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576959179 491660121 /nfs/dbraw/zinc/66/01/21/491660121.db2.gz XWVBKCCKCLQDIA-BZUAXINKSA-N 2 1 351.495 0.594 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576959180 491660353 /nfs/dbraw/zinc/66/03/53/491660353.db2.gz XWVBKCCKCLQDIA-OAGGEKHMSA-N 2 1 351.495 0.594 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576987027 491662979 /nfs/dbraw/zinc/66/29/79/491662979.db2.gz STJLCKNYAKUFIJ-OALUTQOASA-N 2 1 357.502 0.800 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000577955749 491665621 /nfs/dbraw/zinc/66/56/21/491665621.db2.gz GREGELHLQLWFTJ-SJLPKXTDSA-N 2 1 352.523 0.805 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000562329709 491666443 /nfs/dbraw/zinc/66/64/43/491666443.db2.gz RVJDAQIFHXBTRM-ZMSDIMECSA-N 2 1 365.522 0.569 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000562329709 491666445 /nfs/dbraw/zinc/66/64/45/491666445.db2.gz RVJDAQIFHXBTRM-ZMSDIMECSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000578135031 491670743 /nfs/dbraw/zinc/67/07/43/491670743.db2.gz OCWSMVPUFNTORX-QGZVFWFLSA-N 3 1 363.510 0.363 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000578135031 491670744 /nfs/dbraw/zinc/67/07/44/491670744.db2.gz OCWSMVPUFNTORX-QGZVFWFLSA-N 3 1 363.510 0.363 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000578228028 491672715 /nfs/dbraw/zinc/67/27/15/491672715.db2.gz FAEHBZIRMPSWPX-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C[C@H]1[NH3+] ZINC000578738653 491683163 /nfs/dbraw/zinc/68/31/63/491683163.db2.gz JTFDGMJRVSZZOQ-BLIXFSHQSA-N 2 1 370.497 0.917 20 0 FCADMP COCCCn1nccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000579109651 491691138 /nfs/dbraw/zinc/69/11/38/491691138.db2.gz WIMJLHZBIHWXLK-SJLPKXTDSA-N 2 1 363.506 1.000 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000579408014 491697380 /nfs/dbraw/zinc/69/73/80/491697380.db2.gz SSWWNHXBOHRPCK-TZIWHRDSSA-N 2 1 373.497 0.757 20 0 FCADMP CN(C)C1(C(=O)NCc2csc(N(C)C(=O)C3(N(C)C)CC3)n2)CC1 ZINC000668449082 493356936 /nfs/dbraw/zinc/35/69/36/493356936.db2.gz JGBFGAVJOAVQSX-UHFFFAOYSA-N 2 1 365.503 0.911 20 0 FCADMP COC[C@]1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000579587573 491701106 /nfs/dbraw/zinc/70/11/06/491701106.db2.gz AMHRCKSNFOEILU-FQEVSTJZSA-N 2 1 374.485 0.317 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000579684096 491702825 /nfs/dbraw/zinc/70/28/25/491702825.db2.gz PJDVXCJALDTMDO-JYJNAYRXSA-N 2 1 361.490 0.845 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855909 491707042 /nfs/dbraw/zinc/70/70/42/491707042.db2.gz HEYNJGDMMLGCCQ-MSOLQXFVSA-N 2 1 352.523 0.580 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000579945086 491710512 /nfs/dbraw/zinc/71/05/12/491710512.db2.gz LNEAPPVFLCDBDY-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000579945086 491710513 /nfs/dbraw/zinc/71/05/13/491710513.db2.gz LNEAPPVFLCDBDY-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781704 491714301 /nfs/dbraw/zinc/71/43/01/491714301.db2.gz OOGLTJXPRGIBIX-IRXDYDNUSA-N 2 1 374.485 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584793678 491714875 /nfs/dbraw/zinc/71/48/75/491714875.db2.gz RLQLKXCOAZFZOH-DDBAPUKQSA-N 2 1 371.485 0.460 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000580053313 491714978 /nfs/dbraw/zinc/71/49/78/491714978.db2.gz RXCZXLHTOUOISS-GOSISDBHSA-N 2 1 361.490 0.222 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000580125769 491718680 /nfs/dbraw/zinc/71/86/80/491718680.db2.gz ZUYDABXLIXAAFL-UWWQBHOKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000580125769 491718682 /nfs/dbraw/zinc/71/86/82/491718682.db2.gz ZUYDABXLIXAAFL-UWWQBHOKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000580125769 491718684 /nfs/dbraw/zinc/71/86/84/491718684.db2.gz ZUYDABXLIXAAFL-UWWQBHOKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172804 491720082 /nfs/dbraw/zinc/72/00/82/491720082.db2.gz ZXAAZFKGCLKMLB-NVXWUHKLSA-N 2 1 359.474 0.553 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172806 491720197 /nfs/dbraw/zinc/72/01/97/491720197.db2.gz ZXAAZFKGCLKMLB-WBVHZDCISA-N 2 1 359.474 0.553 20 0 FCADMP Cc1cc(=O)n2nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)sc2n1 ZINC000580240524 491722907 /nfs/dbraw/zinc/72/29/07/491722907.db2.gz OIINLKYXEYCQAC-UHFFFAOYSA-N 2 1 352.508 0.775 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000580530962 491734537 /nfs/dbraw/zinc/73/45/37/491734537.db2.gz JYCUOWBBOCOZOW-CRAIPNDOSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000580538436 491735103 /nfs/dbraw/zinc/73/51/03/491735103.db2.gz HFYRFJSLTAIHAC-JSGCOSHPSA-N 2 1 350.488 0.820 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000580572092 491736775 /nfs/dbraw/zinc/73/67/75/491736775.db2.gz MSEBEZDFFJVVOE-KRWDZBQOSA-N 2 1 359.474 0.877 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000580634900 491739683 /nfs/dbraw/zinc/73/96/83/491739683.db2.gz SRNKBGLYIMWHPB-KDURUIRLSA-N 2 1 370.497 0.693 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cs1 ZINC000580717732 491742920 /nfs/dbraw/zinc/74/29/20/491742920.db2.gz HYWSCCBLRHEQGM-INIZCTEOSA-N 2 1 351.520 0.683 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000580840080 491748355 /nfs/dbraw/zinc/74/83/55/491748355.db2.gz RRJFVDWECKJXOS-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000580840080 491748357 /nfs/dbraw/zinc/74/83/57/491748357.db2.gz RRJFVDWECKJXOS-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000589220986 491757744 /nfs/dbraw/zinc/75/77/44/491757744.db2.gz WSCWMSWTLKJVMP-CVEARBPZSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000589220986 491757746 /nfs/dbraw/zinc/75/77/46/491757746.db2.gz WSCWMSWTLKJVMP-CVEARBPZSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000589220986 491757747 /nfs/dbraw/zinc/75/77/47/491757747.db2.gz WSCWMSWTLKJVMP-CVEARBPZSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220995 491757781 /nfs/dbraw/zinc/75/77/81/491757781.db2.gz WSCWMSWTLKJVMP-JKSUJKDBSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220995 491757782 /nfs/dbraw/zinc/75/77/82/491757782.db2.gz WSCWMSWTLKJVMP-JKSUJKDBSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220995 491757784 /nfs/dbraw/zinc/75/77/84/491757784.db2.gz WSCWMSWTLKJVMP-JKSUJKDBSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@H]1CC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000581150303 491761372 /nfs/dbraw/zinc/76/13/72/491761372.db2.gz STTMZFGRSFDVEX-GJZGRUSLSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H]1CC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000581150303 491761373 /nfs/dbraw/zinc/76/13/73/491761373.db2.gz STTMZFGRSFDVEX-GJZGRUSLSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581300679 491767517 /nfs/dbraw/zinc/76/75/17/491767517.db2.gz LQWOIWWCPVJZGT-JCGIZDLHSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581300679 491767518 /nfs/dbraw/zinc/76/75/18/491767518.db2.gz LQWOIWWCPVJZGT-JCGIZDLHSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581360536 491769778 /nfs/dbraw/zinc/76/97/78/491769778.db2.gz LCPOEQPJOGAMDO-HOCLYGCPSA-N 2 1 360.458 0.764 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581360536 491769779 /nfs/dbraw/zinc/76/97/79/491769779.db2.gz LCPOEQPJOGAMDO-HOCLYGCPSA-N 2 1 360.458 0.764 20 0 FCADMP Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)CC2)c1 ZINC000581415285 491771834 /nfs/dbraw/zinc/77/18/34/491771834.db2.gz KYMWZGRDDWZBBF-UHFFFAOYSA-N 2 1 373.501 0.981 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)CC2)c1 ZINC000581415285 491771836 /nfs/dbraw/zinc/77/18/36/491771836.db2.gz KYMWZGRDDWZBBF-UHFFFAOYSA-N 2 1 373.501 0.981 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000581408455 491771884 /nfs/dbraw/zinc/77/18/84/491771884.db2.gz QTYNYNLLZYJONU-UHFFFAOYSA-N 2 1 369.554 0.547 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000660560474 493361417 /nfs/dbraw/zinc/36/14/17/493361417.db2.gz KWRYNLWIPREZNN-UHFFFAOYSA-N 2 1 356.536 0.910 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[NH+]1C1CC1 ZINC000582028226 491794905 /nfs/dbraw/zinc/79/49/05/491794905.db2.gz GINCNLQPHIQTJN-IJEWVQPXSA-N 2 1 350.507 0.964 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582122838 491798713 /nfs/dbraw/zinc/79/87/13/491798713.db2.gz GOBRPKBXEBUKSA-DLBZAZTESA-N 2 1 374.485 0.488 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4OCC[NH2+][C@H]4C3)CC2)c1 ZINC000582246149 491804109 /nfs/dbraw/zinc/80/41/09/491804109.db2.gz NUNIPUZMPAGUJS-PMACEKPBSA-N 2 1 372.513 0.702 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000591413909 491805206 /nfs/dbraw/zinc/80/52/06/491805206.db2.gz ZIOWILHYSGQHJB-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000591413909 491805207 /nfs/dbraw/zinc/80/52/07/491805207.db2.gz ZIOWILHYSGQHJB-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000591413909 491805209 /nfs/dbraw/zinc/80/52/09/491805209.db2.gz ZIOWILHYSGQHJB-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000591448478 491806024 /nfs/dbraw/zinc/80/60/24/491806024.db2.gz IRWMGCYZCVVVSO-QGZVFWFLSA-N 2 1 359.474 0.382 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424162 491811858 /nfs/dbraw/zinc/81/18/58/491811858.db2.gz XQPCMTDQQAXODS-SFHVURJKSA-N 2 1 364.465 0.914 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668497822 493365105 /nfs/dbraw/zinc/36/51/05/493365105.db2.gz BFUCBHQHKJALSR-UHFFFAOYSA-N 2 1 361.490 0.936 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000582487165 491814438 /nfs/dbraw/zinc/81/44/38/491814438.db2.gz YBHVTVONMNVMBW-JONQDZQNSA-N 2 1 356.511 0.482 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000582956850 491833770 /nfs/dbraw/zinc/83/37/70/491833770.db2.gz IXFGOYFRRGNQMP-HOTGVXAUSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000582956850 491833771 /nfs/dbraw/zinc/83/37/71/491833771.db2.gz IXFGOYFRRGNQMP-HOTGVXAUSA-N 2 1 370.538 0.839 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000582991072 491835661 /nfs/dbraw/zinc/83/56/61/491835661.db2.gz XLSHOIYZHTZLKI-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000583045812 491837005 /nfs/dbraw/zinc/83/70/05/491837005.db2.gz URRWPBRBRVXAHI-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000583555158 491847313 /nfs/dbraw/zinc/84/73/13/491847313.db2.gz GKSAIMJQXRCMJN-APIJFGDWSA-N 2 1 352.479 0.301 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000583859058 491853511 /nfs/dbraw/zinc/85/35/11/491853511.db2.gz YYFYWWZLIIXDJM-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000584099141 491858345 /nfs/dbraw/zinc/85/83/45/491858345.db2.gz CNTNMBDVICTBHN-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000611651036 491865666 /nfs/dbraw/zinc/86/56/66/491865666.db2.gz UASRGAVNSSLQAY-ZOBUZTSGSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000611676366 491867572 /nfs/dbraw/zinc/86/75/72/491867572.db2.gz UTCXPAYEXPVOOW-YQQAZPJKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000611676366 491867573 /nfs/dbraw/zinc/86/75/73/491867573.db2.gz UTCXPAYEXPVOOW-YQQAZPJKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000611676366 491867575 /nfs/dbraw/zinc/86/75/75/491867575.db2.gz UTCXPAYEXPVOOW-YQQAZPJKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000611676366 491867577 /nfs/dbraw/zinc/86/75/77/491867577.db2.gz UTCXPAYEXPVOOW-YQQAZPJKSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000600733912 491879683 /nfs/dbraw/zinc/87/96/83/491879683.db2.gz LPIDYQGSYLXIQX-UHFFFAOYSA-N 2 1 366.418 0.403 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000600733912 491879686 /nfs/dbraw/zinc/87/96/86/491879686.db2.gz LPIDYQGSYLXIQX-UHFFFAOYSA-N 2 1 366.418 0.403 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612444577 491918501 /nfs/dbraw/zinc/91/85/01/491918501.db2.gz NRFKEZJKGLGXJS-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758148 491949588 /nfs/dbraw/zinc/94/95/88/491949588.db2.gz FDNKFWXGDFRJBL-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758148 491949590 /nfs/dbraw/zinc/94/95/90/491949590.db2.gz FDNKFWXGDFRJBL-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758148 491949592 /nfs/dbraw/zinc/94/95/92/491949592.db2.gz FDNKFWXGDFRJBL-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758148 491949594 /nfs/dbraw/zinc/94/95/94/491949594.db2.gz FDNKFWXGDFRJBL-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612772817 491949941 /nfs/dbraw/zinc/94/99/41/491949941.db2.gz JSOHFRXAPUKZIJ-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896743 491959800 /nfs/dbraw/zinc/95/98/00/491959800.db2.gz WYCIKPJPXWRKRS-XUWVNRHRSA-N 2 1 353.463 0.369 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000596843673 492002339 /nfs/dbraw/zinc/00/23/39/492002339.db2.gz HSGZPHYTVWHYDF-HZPDHXFCSA-N 2 1 354.495 0.853 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000603907669 492047073 /nfs/dbraw/zinc/04/70/73/492047073.db2.gz NDMKZNNWHMEOPV-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP COCC(=O)NC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000603932989 492047398 /nfs/dbraw/zinc/04/73/98/492047398.db2.gz CJUOQURMZAXAMV-UHFFFAOYSA-N 2 1 354.495 0.202 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604376215 492059225 /nfs/dbraw/zinc/05/92/25/492059225.db2.gz JAQCPVIAXPSUPU-SFHVURJKSA-N 2 1 368.522 0.012 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604376215 492059227 /nfs/dbraw/zinc/05/92/27/492059227.db2.gz JAQCPVIAXPSUPU-SFHVURJKSA-N 2 1 368.522 0.012 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C1([NH+](C)C)CC1 ZINC000614865065 492061278 /nfs/dbraw/zinc/06/12/78/492061278.db2.gz IEUYUJCCCYXDIE-UHFFFAOYSA-N 2 1 372.469 0.767 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604646562 492066117 /nfs/dbraw/zinc/06/61/17/492066117.db2.gz YTGXBEWKMAPBBD-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668606 492067757 /nfs/dbraw/zinc/06/77/57/492067757.db2.gz GTCBHXKEASZKTI-SFHVURJKSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000598253213 492090240 /nfs/dbraw/zinc/09/02/40/492090240.db2.gz IYEGAFTVMHNQCN-CVEARBPZSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000598253213 492090241 /nfs/dbraw/zinc/09/02/41/492090241.db2.gz IYEGAFTVMHNQCN-CVEARBPZSA-N 2 1 351.495 0.465 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844185 492104291 /nfs/dbraw/zinc/10/42/91/492104291.db2.gz VAZYEPMUTUSBKE-IRXDYDNUSA-N 2 1 356.511 0.753 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844185 492104292 /nfs/dbraw/zinc/10/42/92/492104292.db2.gz VAZYEPMUTUSBKE-IRXDYDNUSA-N 2 1 356.511 0.753 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000605852969 492104301 /nfs/dbraw/zinc/10/43/01/492104301.db2.gz WMYCZHBBYDACSS-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000605852969 492104302 /nfs/dbraw/zinc/10/43/02/492104302.db2.gz WMYCZHBBYDACSS-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000605852969 492104303 /nfs/dbraw/zinc/10/43/03/492104303.db2.gz WMYCZHBBYDACSS-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633826 492125336 /nfs/dbraw/zinc/12/53/36/492125336.db2.gz WMWLPQNTXPGUQO-IAGOWNOFSA-N 2 1 355.527 0.278 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000606678172 492126350 /nfs/dbraw/zinc/12/63/50/492126350.db2.gz YLHVYTFALVOZIZ-JKSUJKDBSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000606678172 492126352 /nfs/dbraw/zinc/12/63/52/492126352.db2.gz YLHVYTFALVOZIZ-JKSUJKDBSA-N 2 1 353.511 0.746 20 0 FCADMP CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606701957 492127259 /nfs/dbraw/zinc/12/72/59/492127259.db2.gz MNPXWBFUWTUTCH-DOTOQJQBSA-N 2 1 356.511 0.441 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)CC1 ZINC000606844164 492131106 /nfs/dbraw/zinc/13/11/06/492131106.db2.gz KLFRYOAIIFOBHJ-OAHLLOKOSA-N 2 1 358.490 0.975 20 0 FCADMP COC(=O)c1cnn(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000599146973 492138087 /nfs/dbraw/zinc/13/80/87/492138087.db2.gz IGGBGYICLNTLDI-UHFFFAOYSA-N 2 1 358.402 0.455 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000599156447 492138280 /nfs/dbraw/zinc/13/82/80/492138280.db2.gz CXMKGKUJJFEGHN-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000599156447 492138282 /nfs/dbraw/zinc/13/82/82/492138282.db2.gz CXMKGKUJJFEGHN-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000599156447 492138285 /nfs/dbraw/zinc/13/82/85/492138285.db2.gz CXMKGKUJJFEGHN-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000599156447 492138288 /nfs/dbraw/zinc/13/82/88/492138288.db2.gz CXMKGKUJJFEGHN-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000599156447 492138290 /nfs/dbraw/zinc/13/82/90/492138290.db2.gz CXMKGKUJJFEGHN-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000599156448 492138401 /nfs/dbraw/zinc/13/84/01/492138401.db2.gz CXMKGKUJJFEGHN-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000599156448 492138403 /nfs/dbraw/zinc/13/84/03/492138403.db2.gz CXMKGKUJJFEGHN-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000599156448 492138406 /nfs/dbraw/zinc/13/84/06/492138406.db2.gz CXMKGKUJJFEGHN-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000599156448 492138408 /nfs/dbraw/zinc/13/84/08/492138408.db2.gz CXMKGKUJJFEGHN-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000599156448 492138410 /nfs/dbraw/zinc/13/84/10/492138410.db2.gz CXMKGKUJJFEGHN-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000607229758 492141894 /nfs/dbraw/zinc/14/18/94/492141894.db2.gz IOJMYHVRBHKORV-UHFFFAOYSA-N 3 1 356.559 0.147 20 0 FCADMP CC(C)N(C)C(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608018113 492162607 /nfs/dbraw/zinc/16/26/07/492162607.db2.gz VQRSVXVODYTISA-MRXNPFEDSA-N 2 1 366.506 0.644 20 0 FCADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479308 492177572 /nfs/dbraw/zinc/17/75/72/492177572.db2.gz PQRHMTUHTZVREY-FXAWDEMLSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479308 492177575 /nfs/dbraw/zinc/17/75/75/492177575.db2.gz PQRHMTUHTZVREY-FXAWDEMLSA-N 2 1 360.502 0.376 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000608691080 492187461 /nfs/dbraw/zinc/18/74/61/492187461.db2.gz SQRTWRIGDVERQX-HOTGVXAUSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)CN1CC[NH+](C)CC1 ZINC000608708516 492188559 /nfs/dbraw/zinc/18/85/59/492188559.db2.gz MYBZCCYIOHQMFW-QGZVFWFLSA-N 2 1 360.506 0.797 20 0 FCADMP CC(C)[N@H+](C)CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600006657 492228344 /nfs/dbraw/zinc/22/83/44/492228344.db2.gz PIHSICFHDVTHBS-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600006657 492228346 /nfs/dbraw/zinc/22/83/46/492228346.db2.gz PIHSICFHDVTHBS-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000619176814 492252399 /nfs/dbraw/zinc/25/23/99/492252399.db2.gz NQYVQJIVDPYDPQ-UHFFFAOYSA-N 2 1 360.418 0.104 20 0 FCADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304607 492285209 /nfs/dbraw/zinc/28/52/09/492285209.db2.gz JFNUUQWHHMMMHS-GJZGRUSLSA-N 2 1 367.490 0.977 20 0 FCADMP C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641740958 492301832 /nfs/dbraw/zinc/30/18/32/492301832.db2.gz RVGFWUPDNIOIBE-KRWDZBQOSA-N 2 1 353.511 0.176 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000627456193 492303149 /nfs/dbraw/zinc/30/31/49/492303149.db2.gz CSJJRLYFAKQCSG-OKZBNKHCSA-N 2 1 358.486 0.628 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000627456193 492303152 /nfs/dbraw/zinc/30/31/52/492303152.db2.gz CSJJRLYFAKQCSG-OKZBNKHCSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641779919 492303928 /nfs/dbraw/zinc/30/39/28/492303928.db2.gz TVFNVLIUZMIPRZ-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641784445 492305103 /nfs/dbraw/zinc/30/51/03/492305103.db2.gz SMQUUVWELRHNRS-QGZVFWFLSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641784445 492305106 /nfs/dbraw/zinc/30/51/06/492305106.db2.gz SMQUUVWELRHNRS-QGZVFWFLSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641784445 492305111 /nfs/dbraw/zinc/30/51/11/492305111.db2.gz SMQUUVWELRHNRS-QGZVFWFLSA-N 2 1 355.527 0.422 20 0 FCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641808941 492306848 /nfs/dbraw/zinc/30/68/48/492306848.db2.gz VCQKIPJZFNPLSU-KBPBESRZSA-N 2 1 352.504 0.928 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469228 492308523 /nfs/dbraw/zinc/30/85/23/492308523.db2.gz OLZBWZXGHJEQBA-QZTJIDSGSA-N 2 1 374.485 0.072 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470117 492309300 /nfs/dbraw/zinc/30/93/00/492309300.db2.gz LQOJNESYPIYSMA-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000641824974 492310397 /nfs/dbraw/zinc/31/03/97/492310397.db2.gz OYVLXERVQCKSQZ-NWDGAFQWSA-N 2 1 364.412 0.525 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000641824974 492310398 /nfs/dbraw/zinc/31/03/98/492310398.db2.gz OYVLXERVQCKSQZ-NWDGAFQWSA-N 2 1 364.412 0.525 20 0 FCADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482496 492314064 /nfs/dbraw/zinc/31/40/64/492314064.db2.gz PIXKUQYYJKDVFB-VQTJNVASSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620482496 492314069 /nfs/dbraw/zinc/31/40/69/492314069.db2.gz PIXKUQYYJKDVFB-VQTJNVASSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620482496 492314074 /nfs/dbraw/zinc/31/40/74/492314074.db2.gz PIXKUQYYJKDVFB-VQTJNVASSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620482496 492314078 /nfs/dbraw/zinc/31/40/78/492314078.db2.gz PIXKUQYYJKDVFB-VQTJNVASSA-N 2 1 373.497 0.945 20 0 FCADMP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627480392 492317181 /nfs/dbraw/zinc/31/71/81/492317181.db2.gz OQYLNCWUJRLRDG-WMZOPIPTSA-N 2 1 358.486 0.630 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000620535930 492317494 /nfs/dbraw/zinc/31/74/94/492317494.db2.gz VKHMUBOXYPXYTI-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202092 492326854 /nfs/dbraw/zinc/32/68/54/492326854.db2.gz DOVHDKVSJHXZJK-SJORKVTESA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202092 492326856 /nfs/dbraw/zinc/32/68/56/492326856.db2.gz DOVHDKVSJHXZJK-SJORKVTESA-N 2 1 355.527 0.421 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202092 492326859 /nfs/dbraw/zinc/32/68/59/492326859.db2.gz DOVHDKVSJHXZJK-SJORKVTESA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507445 492327129 /nfs/dbraw/zinc/32/71/29/492327129.db2.gz SVPCACGSMTURBT-LISAXSMJSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507445 492327131 /nfs/dbraw/zinc/32/71/31/492327131.db2.gz SVPCACGSMTURBT-LISAXSMJSA-N 2 1 358.486 0.974 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000642101814 492334776 /nfs/dbraw/zinc/33/47/76/492334776.db2.gz QWZZGWAQHIXPJZ-KZNAEPCWSA-N 2 1 358.486 0.963 20 0 FCADMP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)[C@H]1CC[N@@H+](C)C1 ZINC000654703358 492342026 /nfs/dbraw/zinc/34/20/26/492342026.db2.gz VZBUSPYSNNZYRG-JJRVBVJISA-N 2 1 362.478 0.866 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647708090 492349121 /nfs/dbraw/zinc/34/91/21/492349121.db2.gz IOHASEXWWSKYEG-IHPCNDPISA-N 2 1 373.497 0.852 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647708090 492349123 /nfs/dbraw/zinc/34/91/23/492349123.db2.gz IOHASEXWWSKYEG-IHPCNDPISA-N 2 1 373.497 0.852 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000642394750 492356864 /nfs/dbraw/zinc/35/68/64/492356864.db2.gz MOKYZXLISODPSU-JONQDZQNSA-N 2 1 368.522 0.576 20 0 FCADMP CCS(=O)(=O)N(C)CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642807 492357283 /nfs/dbraw/zinc/35/72/83/492357283.db2.gz QWZCUABLUKDDKH-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP CCS(=O)(=O)N(C)CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642807 492357286 /nfs/dbraw/zinc/35/72/86/492357286.db2.gz QWZCUABLUKDDKH-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000642394724 492357277 /nfs/dbraw/zinc/35/72/77/492357277.db2.gz GLTLIWDHGASANO-QRJUGERDSA-N 2 1 366.506 0.186 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000642394724 492357281 /nfs/dbraw/zinc/35/72/81/492357281.db2.gz GLTLIWDHGASANO-QRJUGERDSA-N 2 1 366.506 0.186 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000621153062 492359466 /nfs/dbraw/zinc/35/94/66/492359466.db2.gz JZUCXPCROOJFLN-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP O=S1(=O)CCCN1CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702391 492360602 /nfs/dbraw/zinc/36/06/02/492360602.db2.gz GMCXZBUWNJQFMM-GOSISDBHSA-N 2 1 367.515 0.639 20 0 FCADMP O=S1(=O)CCCN1CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702391 492360605 /nfs/dbraw/zinc/36/06/05/492360605.db2.gz GMCXZBUWNJQFMM-GOSISDBHSA-N 2 1 367.515 0.639 20 0 FCADMP O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640876 492369364 /nfs/dbraw/zinc/36/93/64/492369364.db2.gz HWZPKZGUVXSUTP-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642680344 492372393 /nfs/dbraw/zinc/37/23/93/492372393.db2.gz ZECHYOSGVAICCN-QRVBRYPASA-N 2 1 370.497 0.978 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)CCC(F)(F)F ZINC000642680542 492372596 /nfs/dbraw/zinc/37/25/96/492372596.db2.gz WNHKKVWTLLYGFC-STQMWFEESA-N 2 1 364.412 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)CCC(F)(F)F ZINC000642680542 492372601 /nfs/dbraw/zinc/37/26/01/492372601.db2.gz WNHKKVWTLLYGFC-STQMWFEESA-N 2 1 364.412 0.587 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000642693360 492374569 /nfs/dbraw/zinc/37/45/69/492374569.db2.gz RXKXOQKMLJCMHF-ZFWWWQNUSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000642693360 492374573 /nfs/dbraw/zinc/37/45/73/492374573.db2.gz RXKXOQKMLJCMHF-ZFWWWQNUSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000642731702 492382024 /nfs/dbraw/zinc/38/20/24/492382024.db2.gz MYZYDXYWNFZNPO-UBHSHLNASA-N 2 1 354.476 0.042 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000642732177 492382689 /nfs/dbraw/zinc/38/26/89/492382689.db2.gz RWDFJJRKVLNFLG-ZBFHGGJFSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744948 492384618 /nfs/dbraw/zinc/38/46/18/492384618.db2.gz RIZNKTLTXLPIMN-SZMVWBNQSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744948 492384622 /nfs/dbraw/zinc/38/46/22/492384622.db2.gz RIZNKTLTXLPIMN-SZMVWBNQSA-N 2 1 374.485 0.199 20 0 FCADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937832 492385976 /nfs/dbraw/zinc/38/59/76/492385976.db2.gz CSUOZRICIRSFHW-SWLSCSKDSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642756711 492386661 /nfs/dbraw/zinc/38/66/61/492386661.db2.gz ZJGGVIZHSWINGA-SZMVWBNQSA-N 2 1 374.485 0.199 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977445 492389855 /nfs/dbraw/zinc/38/98/55/492389855.db2.gz BJWBRCJGYCHMTN-ZWKOTPCHSA-N 2 1 362.518 0.779 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977323 492390586 /nfs/dbraw/zinc/39/05/86/492390586.db2.gz AAABHPVMUQXVSN-CABCVRRESA-N 2 1 355.508 0.410 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977117 492390601 /nfs/dbraw/zinc/39/06/01/492390601.db2.gz XYRXXKQNNADJPD-SJORKVTESA-N 2 1 350.507 0.827 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000642808976 492396801 /nfs/dbraw/zinc/39/68/01/492396801.db2.gz WKHKAQFBILVKQH-MRXNPFEDSA-N 2 1 350.438 0.632 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902298 492399133 /nfs/dbraw/zinc/39/91/33/492399133.db2.gz OYJYOMUMBGLMNP-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000642911639 492402277 /nfs/dbraw/zinc/40/22/77/492402277.db2.gz MAVUVLIYSFTUGC-HHARLNAUSA-N 2 1 366.506 0.473 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)cs1 ZINC000655094729 492402479 /nfs/dbraw/zinc/40/24/79/492402479.db2.gz UJFIQFUNOVMFJW-HOTGVXAUSA-N 2 1 352.504 0.797 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642940942 492405856 /nfs/dbraw/zinc/40/58/56/492405856.db2.gz NBAVKLZZMUAVIG-NVXWUHKLSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642940942 492405860 /nfs/dbraw/zinc/40/58/60/492405860.db2.gz NBAVKLZZMUAVIG-NVXWUHKLSA-N 2 1 367.538 0.103 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642980725 492410480 /nfs/dbraw/zinc/41/04/80/492410480.db2.gz KWYMCSVQWUTXMB-YVSFHVDLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000642980725 492410484 /nfs/dbraw/zinc/41/04/84/492410484.db2.gz KWYMCSVQWUTXMB-YVSFHVDLSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983099 492410883 /nfs/dbraw/zinc/41/08/83/492410883.db2.gz GFVFNOOGVIGECN-FUHWJXTLSA-N 2 1 356.470 0.849 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984284 492411395 /nfs/dbraw/zinc/41/13/95/492411395.db2.gz BXICLCQMLURPPB-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643014740 492414284 /nfs/dbraw/zinc/41/42/84/492414284.db2.gz UPXBEKZFXFQWDE-RDHIYWLCSA-N 2 1 374.529 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)O1 ZINC000621838266 492421512 /nfs/dbraw/zinc/42/15/12/492421512.db2.gz BCMQMXHMEYJHOH-QCUYGVNKSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)O1 ZINC000621838266 492421518 /nfs/dbraw/zinc/42/15/18/492421518.db2.gz BCMQMXHMEYJHOH-QCUYGVNKSA-N 2 1 366.506 0.330 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621843243 492423902 /nfs/dbraw/zinc/42/39/02/492423902.db2.gz BIFGTUADUIPDFU-UEXGIBASSA-N 2 1 370.497 0.965 20 0 FCADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621844883 492425283 /nfs/dbraw/zinc/42/52/83/492425283.db2.gz YTJKJMKYTVOFEA-GHTZIAJQSA-N 2 1 370.497 0.891 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557280 492457201 /nfs/dbraw/zinc/45/72/01/492457201.db2.gz WATKJMWJWUXDKA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655557280 492457205 /nfs/dbraw/zinc/45/72/05/492457205.db2.gz WATKJMWJWUXDKA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655557280 492457208 /nfs/dbraw/zinc/45/72/08/492457208.db2.gz WATKJMWJWUXDKA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)CC[NH+]1C ZINC000648864411 492468069 /nfs/dbraw/zinc/46/80/69/492468069.db2.gz GICMYVGJBQQLSV-WRQOLXDDSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)CC[NH+]1C ZINC000648864411 492468071 /nfs/dbraw/zinc/46/80/71/492468071.db2.gz GICMYVGJBQQLSV-WRQOLXDDSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C)C2)CC[NH+]1C ZINC000648864411 492468073 /nfs/dbraw/zinc/46/80/73/492468073.db2.gz GICMYVGJBQQLSV-WRQOLXDDSA-N 2 1 350.507 0.726 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635562194 492472590 /nfs/dbraw/zinc/47/25/90/492472590.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 2 1 354.539 0.829 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635571792 492475313 /nfs/dbraw/zinc/47/53/13/492475313.db2.gz CRBGQWZPSMLOEX-SJLPKXTDSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635571792 492475317 /nfs/dbraw/zinc/47/53/17/492475317.db2.gz CRBGQWZPSMLOEX-SJLPKXTDSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635571792 492475322 /nfs/dbraw/zinc/47/53/22/492475322.db2.gz CRBGQWZPSMLOEX-SJLPKXTDSA-N 2 1 350.507 0.526 20 0 FCADMP CC1([NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000643480815 492476860 /nfs/dbraw/zinc/47/68/60/492476860.db2.gz SKYYYADMPGFEBJ-UHFFFAOYSA-N 2 1 358.486 0.713 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000643481002 492477417 /nfs/dbraw/zinc/47/74/17/492477417.db2.gz WTBIGZFBWQSHCS-SFHVURJKSA-N 2 1 358.486 0.918 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643483676 492478447 /nfs/dbraw/zinc/47/84/47/492478447.db2.gz BHWPOCVDIVWOHU-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP CC1([NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000643488185 492478896 /nfs/dbraw/zinc/47/88/96/492478896.db2.gz VMFMBYATYYPWMO-UHFFFAOYSA-N 2 1 364.515 0.775 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000628216498 492482419 /nfs/dbraw/zinc/48/24/19/492482419.db2.gz QMIFASFTEAYVOO-WRQOLXDDSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000628216498 492482423 /nfs/dbraw/zinc/48/24/23/492482423.db2.gz QMIFASFTEAYVOO-WRQOLXDDSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000628216498 492482427 /nfs/dbraw/zinc/48/24/27/492482427.db2.gz QMIFASFTEAYVOO-WRQOLXDDSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500565 492482622 /nfs/dbraw/zinc/48/26/22/492482622.db2.gz CDVDLVBYGGHLJP-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000643513305 492486128 /nfs/dbraw/zinc/48/61/28/492486128.db2.gz QLZITAAXTGOLQY-ARFHVFGLSA-N 2 1 359.474 0.677 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635658685 492487875 /nfs/dbraw/zinc/48/78/75/492487875.db2.gz MOSCEFJOKATUGJ-HNNXBMFYSA-N 2 1 370.519 0.974 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC[NH2+]1 ZINC000643530063 492490566 /nfs/dbraw/zinc/49/05/66/492490566.db2.gz FDHRDPIZBZZQID-NVXWUHKLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531798 492490616 /nfs/dbraw/zinc/49/06/16/492490616.db2.gz LRCARXOKQHFKJE-JQHSSLGASA-N 2 1 374.485 0.294 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000643530754 492490977 /nfs/dbraw/zinc/49/09/77/492490977.db2.gz OIERQEORPOYMDF-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531823 492491309 /nfs/dbraw/zinc/49/13/09/492491309.db2.gz OQYXWPCJNYVKRG-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531755 492491388 /nfs/dbraw/zinc/49/13/88/492491388.db2.gz GHAMHPKMZARPDJ-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000643531888 492491725 /nfs/dbraw/zinc/49/17/25/492491725.db2.gz SRSJXPYXDWVKOG-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655936620 492491889 /nfs/dbraw/zinc/49/18/89/492491889.db2.gz IMXDBPXQOCAGTR-LLVKDONJSA-N 2 1 361.368 0.705 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000643541527 492495255 /nfs/dbraw/zinc/49/52/55/492495255.db2.gz RPUYGGLQLSCEAW-DZJNRPSUSA-N 2 1 356.470 0.382 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1CCOC ZINC000643545007 492496086 /nfs/dbraw/zinc/49/60/86/492496086.db2.gz LOJICYVIPVMYRH-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@H+]1CCOC ZINC000643545007 492496091 /nfs/dbraw/zinc/49/60/91/492496091.db2.gz LOJICYVIPVMYRH-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643549771 492496657 /nfs/dbraw/zinc/49/66/57/492496657.db2.gz NVZNFQVKQVMFQZ-XYVMCAHJSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)C[C@@H](O)CC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000649084391 492497353 /nfs/dbraw/zinc/49/73/53/492497353.db2.gz YKDPSCATRBPEDF-BJWYYQGGSA-N 2 1 368.522 0.044 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H](O)CC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC000649084391 492497354 /nfs/dbraw/zinc/49/73/54/492497354.db2.gz YKDPSCATRBPEDF-BJWYYQGGSA-N 2 1 368.522 0.044 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H](O)CC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC000649084391 492497356 /nfs/dbraw/zinc/49/73/56/492497356.db2.gz YKDPSCATRBPEDF-BJWYYQGGSA-N 2 1 368.522 0.044 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970266 492500311 /nfs/dbraw/zinc/50/03/11/492500311.db2.gz GTTQZQPHAKHNSP-MWDXBVQZSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970266 492500313 /nfs/dbraw/zinc/50/03/13/492500313.db2.gz GTTQZQPHAKHNSP-MWDXBVQZSA-N 2 1 353.511 0.173 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H]1Cc1ccccc1 ZINC000643590427 492501575 /nfs/dbraw/zinc/50/15/75/492501575.db2.gz ZVTNCLAAVGAGRB-WIYYLYMNSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H]1Cc1ccccc1 ZINC000643590427 492501577 /nfs/dbraw/zinc/50/15/77/492501577.db2.gz ZVTNCLAAVGAGRB-WIYYLYMNSA-N 2 1 370.497 0.584 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649271466 492516428 /nfs/dbraw/zinc/51/64/28/492516428.db2.gz IIMDZBCNSXYSFL-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649271466 492516431 /nfs/dbraw/zinc/51/64/31/492516431.db2.gz IIMDZBCNSXYSFL-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)(N2CCOCC2)CC1 ZINC000636023635 492541062 /nfs/dbraw/zinc/54/10/62/492541062.db2.gz PMHWUZVLCJCKEY-SFHVURJKSA-N 2 1 364.534 0.916 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000656087230 492547771 /nfs/dbraw/zinc/54/77/71/492547771.db2.gz QZUHXDMIVCLGMI-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000649365657 492548475 /nfs/dbraw/zinc/54/84/75/492548475.db2.gz IIZWZKYILXKMLE-VVLHAWIVSA-N 2 1 350.507 0.953 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1nc2ccccc2s1 ZINC000649409643 492551043 /nfs/dbraw/zinc/55/10/43/492551043.db2.gz IBUFSAQOWNVFHB-UHFFFAOYSA-N 2 1 361.515 0.792 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1nc2ccccc2s1 ZINC000649409643 492551047 /nfs/dbraw/zinc/55/10/47/492551047.db2.gz IBUFSAQOWNVFHB-UHFFFAOYSA-N 2 1 361.515 0.792 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CO)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000649473518 492556060 /nfs/dbraw/zinc/55/60/60/492556060.db2.gz YBKALPSYNVWEQK-JJTUDDRGSA-N 2 1 368.522 0.325 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000649473997 492557022 /nfs/dbraw/zinc/55/70/22/492557022.db2.gz ZUBKQEIXJHFCJQ-ULQDDVLXSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000649473997 492557025 /nfs/dbraw/zinc/55/70/25/492557025.db2.gz ZUBKQEIXJHFCJQ-ULQDDVLXSA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000649473997 492557027 /nfs/dbraw/zinc/55/70/27/492557027.db2.gz ZUBKQEIXJHFCJQ-ULQDDVLXSA-N 2 1 368.522 0.329 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1=O ZINC000636297164 492578079 /nfs/dbraw/zinc/57/80/79/492578079.db2.gz QADJSOHRQYUWIQ-SFHVURJKSA-N 2 1 373.501 0.178 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636487748 492598717 /nfs/dbraw/zinc/59/87/17/492598717.db2.gz XOTWCXBFDPAWGD-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636487748 492598723 /nfs/dbraw/zinc/59/87/23/492598723.db2.gz XOTWCXBFDPAWGD-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000636487748 492598725 /nfs/dbraw/zinc/59/87/25/492598725.db2.gz XOTWCXBFDPAWGD-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354532 492609201 /nfs/dbraw/zinc/60/92/01/492609201.db2.gz GIMVHQXIYKJHDO-IRXDYDNUSA-N 3 1 367.538 0.071 20 0 FCADMP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588760 492631825 /nfs/dbraw/zinc/63/18/25/492631825.db2.gz NERXPBBQPWJOIE-HIFRSBDPSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588760 492631830 /nfs/dbraw/zinc/63/18/30/492631830.db2.gz NERXPBBQPWJOIE-HIFRSBDPSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@@H+]1CCc2sccc2C1 ZINC000636588760 492631833 /nfs/dbraw/zinc/63/18/33/492631833.db2.gz NERXPBBQPWJOIE-HIFRSBDPSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@H+]1CCc2sccc2C1 ZINC000636588760 492631837 /nfs/dbraw/zinc/63/18/37/492631837.db2.gz NERXPBBQPWJOIE-HIFRSBDPSA-N 2 1 352.504 0.861 20 0 FCADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C3CC3)C2)cc1 ZINC000636613686 492638850 /nfs/dbraw/zinc/63/88/50/492638850.db2.gz LSGBXRUCMVNYLK-QGZVFWFLSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000636613686 492638852 /nfs/dbraw/zinc/63/88/52/492638852.db2.gz LSGBXRUCMVNYLK-QGZVFWFLSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000636613686 492638855 /nfs/dbraw/zinc/63/88/55/492638855.db2.gz LSGBXRUCMVNYLK-QGZVFWFLSA-N 2 1 358.486 0.896 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1cccc(F)c1 ZINC000650564991 492651498 /nfs/dbraw/zinc/65/14/98/492651498.db2.gz KVLPHPNCGSLRCG-SJORKVTESA-N 2 1 350.438 0.889 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1cccc(F)c1 ZINC000650564991 492651500 /nfs/dbraw/zinc/65/15/00/492651500.db2.gz KVLPHPNCGSLRCG-SJORKVTESA-N 2 1 350.438 0.889 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629578081 492654574 /nfs/dbraw/zinc/65/45/74/492654574.db2.gz MCJKVWKVLYXOBT-HNNXBMFYSA-N 2 1 352.454 0.770 20 0 FCADMP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629579075 492655514 /nfs/dbraw/zinc/65/55/14/492655514.db2.gz INAAVHGTBUXYCO-LBPRGKRZSA-N 2 1 352.435 0.888 20 0 FCADMP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629579075 492655519 /nfs/dbraw/zinc/65/55/19/492655519.db2.gz INAAVHGTBUXYCO-LBPRGKRZSA-N 2 1 352.435 0.888 20 0 FCADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650698781 492662916 /nfs/dbraw/zinc/66/29/16/492662916.db2.gz BUYIPHQIJCYBCB-GOSISDBHSA-N 2 1 359.474 0.506 20 0 FCADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650698781 492662919 /nfs/dbraw/zinc/66/29/19/492662919.db2.gz BUYIPHQIJCYBCB-GOSISDBHSA-N 2 1 359.474 0.506 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000629802891 492680270 /nfs/dbraw/zinc/68/02/70/492680270.db2.gz AESVBLKMTDCWJC-ZWKOTPCHSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000629802891 492680273 /nfs/dbraw/zinc/68/02/73/492680273.db2.gz AESVBLKMTDCWJC-ZWKOTPCHSA-N 2 1 358.486 0.915 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753863 492682369 /nfs/dbraw/zinc/68/23/69/492682369.db2.gz ZTYCZFCCQCXYMJ-OALUTQOASA-N 2 1 360.502 0.917 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000629810994 492683683 /nfs/dbraw/zinc/68/36/83/492683683.db2.gz AHXRFPBACKCHDA-HXUWFJFHSA-N 2 1 358.486 0.918 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974682 492689849 /nfs/dbraw/zinc/68/98/49/492689849.db2.gz SWJDVYFSGWLEQP-FGTMMUONSA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974682 492689852 /nfs/dbraw/zinc/68/98/52/492689852.db2.gz SWJDVYFSGWLEQP-FGTMMUONSA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650974684 492690129 /nfs/dbraw/zinc/69/01/29/492690129.db2.gz SWJDVYFSGWLEQP-KZNAEPCWSA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650974684 492690133 /nfs/dbraw/zinc/69/01/33/492690133.db2.gz SWJDVYFSGWLEQP-KZNAEPCWSA-N 2 1 366.506 0.215 20 0 FCADMP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651021541 492695243 /nfs/dbraw/zinc/69/52/43/492695243.db2.gz HBDYWQIINSUIMZ-RTBURBONSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651021541 492695244 /nfs/dbraw/zinc/69/52/44/492695244.db2.gz HBDYWQIINSUIMZ-RTBURBONSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651021541 492695247 /nfs/dbraw/zinc/69/52/47/492695247.db2.gz HBDYWQIINSUIMZ-RTBURBONSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651021541 492695250 /nfs/dbraw/zinc/69/52/50/492695250.db2.gz HBDYWQIINSUIMZ-RTBURBONSA-N 2 1 374.485 0.214 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000651228948 492724193 /nfs/dbraw/zinc/72/41/93/492724193.db2.gz BJXUNLVKJBPEOS-RDJZCZTQSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000651228948 492724198 /nfs/dbraw/zinc/72/41/98/492724198.db2.gz BJXUNLVKJBPEOS-RDJZCZTQSA-N 2 1 361.490 0.813 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000636907295 492725020 /nfs/dbraw/zinc/72/50/20/492725020.db2.gz MZFDEWLGCCGCTP-VCBZYWHSSA-N 2 1 366.506 0.527 20 0 FCADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651273191 492732804 /nfs/dbraw/zinc/73/28/04/492732804.db2.gz FQEQPVPKWVQWFP-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651273190 492733116 /nfs/dbraw/zinc/73/31/16/492733116.db2.gz FQEQPVPKWVQWFP-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP Cc1nn(C)cc1[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657507355 492753568 /nfs/dbraw/zinc/75/35/68/492753568.db2.gz JJFLOZMCEFFOQH-MSOLQXFVSA-N 2 1 371.489 0.890 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000630677750 492765051 /nfs/dbraw/zinc/76/50/51/492765051.db2.gz FQTYKPPXVBFXOX-DLBZAZTESA-N 2 1 360.506 0.835 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000630677750 492765055 /nfs/dbraw/zinc/76/50/55/492765055.db2.gz FQTYKPPXVBFXOX-DLBZAZTESA-N 2 1 360.506 0.835 20 0 FCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000630796084 492775890 /nfs/dbraw/zinc/77/58/90/492775890.db2.gz LDQXATYRVHOFIR-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000630796084 492775891 /nfs/dbraw/zinc/77/58/91/492775891.db2.gz LDQXATYRVHOFIR-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000630796084 492775892 /nfs/dbraw/zinc/77/58/92/492775892.db2.gz LDQXATYRVHOFIR-XMTFNYHQSA-N 2 1 364.534 0.929 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCCOCC1 ZINC000651543767 492777688 /nfs/dbraw/zinc/77/76/88/492777688.db2.gz GHEUVOAIJRMLCQ-INIZCTEOSA-N 2 1 362.540 0.301 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@H]1C(=O)NCCn1cc[nH+]c1C ZINC000630864215 492779934 /nfs/dbraw/zinc/77/99/34/492779934.db2.gz HFCYXSRWEVYWSI-HZPDHXFCSA-N 2 1 358.446 0.655 20 0 FCADMP COc1ccccc1COC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000644563308 492786119 /nfs/dbraw/zinc/78/61/19/492786119.db2.gz CSNWKVAGCXCIKW-QGZVFWFLSA-N 2 1 365.474 0.326 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637260500 492801570 /nfs/dbraw/zinc/80/15/70/492801570.db2.gz JYRDSHGCSGTPIY-KRWDZBQOSA-N 2 1 354.495 0.243 20 0 FCADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373438 492812707 /nfs/dbraw/zinc/81/27/07/492812707.db2.gz OTTTUWCOGFYXQK-JYJNAYRXSA-N 2 1 351.495 0.594 20 0 FCADMP Cc1cn2ccc(NC(=O)C(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cc2n1 ZINC000657990665 492826816 /nfs/dbraw/zinc/82/68/16/492826816.db2.gz QIVYXNMTMKSELV-OKILXGFUSA-N 2 1 359.430 0.495 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631677430 492834568 /nfs/dbraw/zinc/83/45/68/492834568.db2.gz ZTKIUURCHUTHFJ-QGZVFWFLSA-N 2 1 360.568 0.808 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000658118038 492840737 /nfs/dbraw/zinc/84/07/37/492840737.db2.gz BMVGRXNSIGNZKB-AWEZNQCLSA-N 2 1 364.494 0.620 20 0 FCADMP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000631749102 492846720 /nfs/dbraw/zinc/84/67/20/492846720.db2.gz NNGTWCCHYIHNRH-DLBZAZTESA-N 2 1 360.568 0.664 20 0 FCADMP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844995 492861590 /nfs/dbraw/zinc/86/15/90/492861590.db2.gz RDGWWXGPLOARGU-KDOFPFPSSA-N 2 1 354.458 0.957 20 0 FCADMP CCCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645305421 492890866 /nfs/dbraw/zinc/89/08/66/492890866.db2.gz RMDIQUGTMFBNCW-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000645305421 492890869 /nfs/dbraw/zinc/89/08/69/492890869.db2.gz RMDIQUGTMFBNCW-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C)C1 ZINC000645305421 492890872 /nfs/dbraw/zinc/89/08/72/492890872.db2.gz RMDIQUGTMFBNCW-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658449873 492898130 /nfs/dbraw/zinc/89/81/30/492898130.db2.gz KMAQNUKJOLENTB-GOSISDBHSA-N 2 1 360.502 0.782 20 0 FCADMP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000638074181 492900734 /nfs/dbraw/zinc/90/07/34/492900734.db2.gz UEVWIGVJMXQRCG-UHFFFAOYSA-N 2 1 352.429 0.951 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1 ZINC000638080390 492900901 /nfs/dbraw/zinc/90/09/01/492900901.db2.gz VCQUJJKKFKTOOG-IBGZPJMESA-N 2 1 362.518 0.955 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000645419841 492904110 /nfs/dbraw/zinc/90/41/10/492904110.db2.gz UVCPEPCPIWUTAS-SFHVURJKSA-N 2 1 358.486 0.809 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638104553 492907305 /nfs/dbraw/zinc/90/73/05/492907305.db2.gz JLFKKQAEOMGWDC-SRVKXCTJSA-N 2 1 372.420 0.277 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638104553 492907308 /nfs/dbraw/zinc/90/73/08/492907308.db2.gz JLFKKQAEOMGWDC-SRVKXCTJSA-N 2 1 372.420 0.277 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652309483 492908961 /nfs/dbraw/zinc/90/89/61/492908961.db2.gz AHEXFIWRXUYIPE-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652309483 492908964 /nfs/dbraw/zinc/90/89/64/492908964.db2.gz AHEXFIWRXUYIPE-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000638123189 492910671 /nfs/dbraw/zinc/91/06/71/492910671.db2.gz PPQLALADRUACFT-GOSISDBHSA-N 2 1 373.501 0.697 20 0 FCADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348597 492912978 /nfs/dbraw/zinc/91/29/78/492912978.db2.gz JUXLDSGVPCFAOW-ARFHVFGLSA-N 2 1 363.524 0.161 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351922 492914804 /nfs/dbraw/zinc/91/48/04/492914804.db2.gz IOUKFIBKYHYACK-KXBFYZLASA-N 2 1 360.458 0.228 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351922 492914807 /nfs/dbraw/zinc/91/48/07/492914807.db2.gz IOUKFIBKYHYACK-KXBFYZLASA-N 2 1 360.458 0.228 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652362741 492915883 /nfs/dbraw/zinc/91/58/83/492915883.db2.gz NUIWHKVMSVQKOU-BSDSXHPESA-N 2 1 366.506 0.474 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)CN2CC[NH2+]CC2)c2cccs2)CC1 ZINC000638136570 492916094 /nfs/dbraw/zinc/91/60/94/492916094.db2.gz ZXTDOCHNZXZCRF-HNNXBMFYSA-N 2 1 351.520 0.058 20 0 FCADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000638142401 492918006 /nfs/dbraw/zinc/91/80/06/492918006.db2.gz ZNVQBVJOJSCUTN-OAHLLOKOSA-N 2 1 361.490 0.833 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000652380216 492920379 /nfs/dbraw/zinc/92/03/79/492920379.db2.gz JQCUOWMHEBQWJW-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638216140 492922944 /nfs/dbraw/zinc/92/29/44/492922944.db2.gz WMNKQVNBGGWPHD-QGZVFWFLSA-N 2 1 350.463 0.539 20 0 FCADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638216140 492922948 /nfs/dbraw/zinc/92/29/48/492922948.db2.gz WMNKQVNBGGWPHD-QGZVFWFLSA-N 2 1 350.463 0.539 20 0 FCADMP [NH3+]C1(CC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000638226407 492923729 /nfs/dbraw/zinc/92/37/29/492923729.db2.gz ILFVTSKRWLYGSL-OALUTQOASA-N 3 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632113167 492932364 /nfs/dbraw/zinc/93/23/64/492932364.db2.gz SKPMJTKDVSSYRK-INIZCTEOSA-N 2 1 372.535 0.041 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632128633 492935388 /nfs/dbraw/zinc/93/53/88/492935388.db2.gz HHYRHFFGKXVGEV-UHFFFAOYSA-N 2 1 357.524 0.481 20 0 FCADMP CC(C)C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)C(=O)NCC[NH+](C)C ZINC000632150779 492939352 /nfs/dbraw/zinc/93/93/52/492939352.db2.gz NYBLISFFTBZPOA-AWEZNQCLSA-N 2 1 362.540 0.093 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000652479659 492947466 /nfs/dbraw/zinc/94/74/66/492947466.db2.gz SRMNCTWPLHIFKC-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255372 492958271 /nfs/dbraw/zinc/95/82/71/492958271.db2.gz QNCUKKQCPASEGS-DLBZAZTESA-N 2 1 360.568 0.664 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000638748043 492974942 /nfs/dbraw/zinc/97/49/42/492974942.db2.gz GSCCGVFNIZROTF-IAGOWNOFSA-N 2 1 353.488 0.801 20 0 FCADMP C[C@@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000638753223 492976186 /nfs/dbraw/zinc/97/61/86/492976186.db2.gz SJEMPXUXNJKBOM-KSSFIOAISA-N 2 1 354.458 0.876 20 0 FCADMP C[C@@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000638753223 492976188 /nfs/dbraw/zinc/97/61/88/492976188.db2.gz SJEMPXUXNJKBOM-KSSFIOAISA-N 2 1 354.458 0.876 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638754740 492976488 /nfs/dbraw/zinc/97/64/88/492976488.db2.gz DLARFJNOBSOLPC-SJLPKXTDSA-N 2 1 354.458 0.951 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC000638808818 492980346 /nfs/dbraw/zinc/98/03/46/492980346.db2.gz OJTICCMYBVNTKM-LVQVYYBASA-N 2 1 362.478 0.493 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638837086 492981564 /nfs/dbraw/zinc/98/15/64/492981564.db2.gz XVCMZHSBKAHPPQ-NJAFHUGGSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[N@H+](C2CCC2)C1 ZINC000632361151 492983074 /nfs/dbraw/zinc/98/30/74/492983074.db2.gz QDLPNIPBBBKAMU-QGZVFWFLSA-N 2 1 372.579 0.760 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638902163 492985246 /nfs/dbraw/zinc/98/52/46/492985246.db2.gz BVBJXRJTXLVVNW-JHNDHUHGSA-N 2 1 364.494 0.644 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)[N@@H+](C)C1CC1 ZINC000652686263 492990355 /nfs/dbraw/zinc/99/03/55/492990355.db2.gz CNNULBDTUBYOBB-JYYAWHABSA-N 2 1 366.506 0.330 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000652704537 492995676 /nfs/dbraw/zinc/99/56/76/492995676.db2.gz MXWFGJDHRZFHRX-INIZCTEOSA-N 2 1 354.495 0.252 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652704920 492995726 /nfs/dbraw/zinc/99/57/26/492995726.db2.gz WOEFPARNGVAYEI-KRWDZBQOSA-N 2 1 368.522 0.642 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003165 492999395 /nfs/dbraw/zinc/99/93/95/492999395.db2.gz VCVINLINPWAVDG-ZWKOTPCHSA-N 2 1 360.506 0.660 20 0 FCADMP COc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1OCC[NH+](C)C ZINC000626589592 493000109 /nfs/dbraw/zinc/00/01/09/493000109.db2.gz JSNOCSLLNZSWHJ-HNNXBMFYSA-N 2 1 366.462 0.824 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736238 493012215 /nfs/dbraw/zinc/01/22/15/493012215.db2.gz BLKVNUWFPWODDA-UHOSZYNNSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736238 493012220 /nfs/dbraw/zinc/01/22/20/493012220.db2.gz BLKVNUWFPWODDA-UHOSZYNNSA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652737017 493013615 /nfs/dbraw/zinc/01/36/15/493013615.db2.gz WOHGVAUGYLGIJH-FGTMMUONSA-N 2 1 356.470 0.050 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652737017 493013616 /nfs/dbraw/zinc/01/36/16/493013616.db2.gz WOHGVAUGYLGIJH-FGTMMUONSA-N 2 1 356.470 0.050 20 0 FCADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCO1 ZINC000658712396 493023057 /nfs/dbraw/zinc/02/30/57/493023057.db2.gz VHPFEHZGEAWSQG-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000646180341 493024285 /nfs/dbraw/zinc/02/42/85/493024285.db2.gz DKSCRSTVPCFIOW-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000658757332 493044076 /nfs/dbraw/zinc/04/40/76/493044076.db2.gz IEEWNOBBWGOHJG-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000658757332 493044081 /nfs/dbraw/zinc/04/40/81/493044081.db2.gz IEEWNOBBWGOHJG-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658757332 493044085 /nfs/dbraw/zinc/04/40/85/493044085.db2.gz IEEWNOBBWGOHJG-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000658757332 493044087 /nfs/dbraw/zinc/04/40/87/493044087.db2.gz IEEWNOBBWGOHJG-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000626922260 493063628 /nfs/dbraw/zinc/06/36/28/493063628.db2.gz SPEZTZRCIXALPK-OAHLLOKOSA-N 2 1 369.535 0.653 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000653117591 493074259 /nfs/dbraw/zinc/07/42/59/493074259.db2.gz QMSZGYXUZRCXFL-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124980 493076193 /nfs/dbraw/zinc/07/61/93/493076193.db2.gz ONNCQOARSGBCSM-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cn1 ZINC000653150348 493078066 /nfs/dbraw/zinc/07/80/66/493078066.db2.gz ZPJJHUVXGVUWHM-HKUYNNGSSA-N 2 1 361.490 0.563 20 0 FCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cn1 ZINC000653150348 493078068 /nfs/dbraw/zinc/07/80/68/493078068.db2.gz ZPJJHUVXGVUWHM-HKUYNNGSSA-N 2 1 361.490 0.563 20 0 FCADMP C[N@@H+]1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)[C@H](Cc2ccccc2)C1 ZINC000653254034 493086296 /nfs/dbraw/zinc/08/62/96/493086296.db2.gz GQBWBUXSKDKTAS-QZTJIDSGSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)[C@H](Cc2ccccc2)C1 ZINC000653254034 493086300 /nfs/dbraw/zinc/08/63/00/493086300.db2.gz GQBWBUXSKDKTAS-QZTJIDSGSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653253904 493086489 /nfs/dbraw/zinc/08/64/89/493086489.db2.gz DGFFNMIMTFOJHT-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653253904 493086493 /nfs/dbraw/zinc/08/64/93/493086493.db2.gz DGFFNMIMTFOJHT-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779086 493087606 /nfs/dbraw/zinc/08/76/06/493087606.db2.gz RPHAOPPYCRSCTN-COYYTBTLSA-N 2 1 360.502 0.053 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779086 493087608 /nfs/dbraw/zinc/08/76/08/493087608.db2.gz RPHAOPPYCRSCTN-COYYTBTLSA-N 2 1 360.502 0.053 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779086 493087610 /nfs/dbraw/zinc/08/76/10/493087610.db2.gz RPHAOPPYCRSCTN-COYYTBTLSA-N 2 1 360.502 0.053 20 0 FCADMP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646765475 493092070 /nfs/dbraw/zinc/09/20/70/493092070.db2.gz BZHQSOZBIAMJKN-OAHLLOKOSA-N 2 1 350.467 0.326 20 0 FCADMP C[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@@H+]1CCO ZINC000640443532 493106992 /nfs/dbraw/zinc/10/69/92/493106992.db2.gz OFJPOAWBUFBTNP-AWEZNQCLSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@H+]1CCO ZINC000640443532 493106997 /nfs/dbraw/zinc/10/69/97/493106997.db2.gz OFJPOAWBUFBTNP-AWEZNQCLSA-N 2 1 350.467 0.680 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633099455 493125167 /nfs/dbraw/zinc/12/51/67/493125167.db2.gz BKWFLGBDGPHBCQ-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633105264 493127742 /nfs/dbraw/zinc/12/77/42/493127742.db2.gz AMMGMHHSPSIOOE-INDMIFKZSA-N 2 1 368.481 0.682 20 0 FCADMP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC1 ZINC000659038070 493128505 /nfs/dbraw/zinc/12/85/05/493128505.db2.gz BPWJYBHXZXGJDJ-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC1 ZINC000659038070 493128509 /nfs/dbraw/zinc/12/85/09/493128509.db2.gz BPWJYBHXZXGJDJ-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000659038070 493128512 /nfs/dbraw/zinc/12/85/12/493128512.db2.gz BPWJYBHXZXGJDJ-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000659038070 493128514 /nfs/dbraw/zinc/12/85/14/493128514.db2.gz BPWJYBHXZXGJDJ-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)NCCCc3ccccc3)nn2)CC1 ZINC000640770950 493129803 /nfs/dbraw/zinc/12/98/03/493129803.db2.gz JNFRYFHSGXDFMI-UHFFFAOYSA-N 2 1 370.501 0.993 20 0 FCADMP CC[NH2+]Cc1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640870307 493140925 /nfs/dbraw/zinc/14/09/25/493140925.db2.gz XBXHLJZFPORHCG-UHFFFAOYSA-N 2 1 364.494 0.539 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659095309 493149740 /nfs/dbraw/zinc/14/97/40/493149740.db2.gz BOURKCSBZIYYTA-KGLIPLIRSA-N 2 1 359.474 0.825 20 0 FCADMP [NH3+]CCCCc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952593 493153407 /nfs/dbraw/zinc/15/34/07/493153407.db2.gz CVGJETZGGNFSCV-UHFFFAOYSA-N 2 1 356.474 0.904 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000627325397 493155027 /nfs/dbraw/zinc/15/50/27/493155027.db2.gz IASSTBORECJVQT-WZRBSPASSA-N 2 1 362.396 0.325 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627357141 493174287 /nfs/dbraw/zinc/17/42/87/493174287.db2.gz YNTMKWCUHSNKCC-INIZCTEOSA-N 2 1 364.515 0.527 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627357141 493174293 /nfs/dbraw/zinc/17/42/93/493174293.db2.gz YNTMKWCUHSNKCC-INIZCTEOSA-N 2 1 364.515 0.527 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659434314 493175718 /nfs/dbraw/zinc/17/57/18/493175718.db2.gz LCXCNWTXXIFBAL-BETUJISGSA-N 2 1 350.467 0.808 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659436817 493178090 /nfs/dbraw/zinc/17/80/90/493178090.db2.gz ZIENBEIYQGCWDS-CYBMUJFWSA-N 2 1 350.467 0.952 20 0 FCADMP COCC[NH2+]CCc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229984 493186152 /nfs/dbraw/zinc/18/61/52/493186152.db2.gz NXFYTRHIIMVCBJ-IBGZPJMESA-N 2 1 359.474 0.694 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627393758 493200341 /nfs/dbraw/zinc/20/03/41/493200341.db2.gz JQARDLIDHAOMBQ-MSOLQXFVSA-N 2 1 374.485 0.118 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627393760 493200713 /nfs/dbraw/zinc/20/07/13/493200713.db2.gz JQARDLIDHAOMBQ-ROUUACIJSA-N 2 1 374.485 0.118 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627402218 493204243 /nfs/dbraw/zinc/20/42/43/493204243.db2.gz XRTYFMBVKSEZSU-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627402218 493204247 /nfs/dbraw/zinc/20/42/47/493204247.db2.gz XRTYFMBVKSEZSU-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000666674548 493213876 /nfs/dbraw/zinc/21/38/76/493213876.db2.gz VWJUBEWJGKHPDH-QGZVFWFLSA-N 3 1 360.506 0.853 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581970 493216788 /nfs/dbraw/zinc/21/67/88/493216788.db2.gz BJBPFKBQNGDCNC-IAGOWNOFSA-N 2 1 352.454 0.885 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000659617854 493221273 /nfs/dbraw/zinc/22/12/73/493221273.db2.gz WGAYGCVPKRTNFA-NNVNDSJASA-N 2 1 358.486 0.921 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000672695130 493234558 /nfs/dbraw/zinc/23/45/58/493234558.db2.gz JKYVLQUKEFIAOL-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000666976181 493244545 /nfs/dbraw/zinc/24/45/45/493244545.db2.gz DBASDCOEOXZKAB-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000666978274 493245194 /nfs/dbraw/zinc/24/51/94/493245194.db2.gz VVMJENSLPGALDU-UXLLHSPISA-N 2 1 354.495 0.336 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978219 493245452 /nfs/dbraw/zinc/24/54/52/493245452.db2.gz UQQLUOHMTDNCPL-IRXDYDNUSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000682092920 493269034 /nfs/dbraw/zinc/26/90/34/493269034.db2.gz DMHTZBKUSUXGKZ-WMLDXEAASA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000682092920 493269037 /nfs/dbraw/zinc/26/90/37/493269037.db2.gz DMHTZBKUSUXGKZ-WMLDXEAASA-N 2 1 362.474 0.565 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000667262956 493270195 /nfs/dbraw/zinc/27/01/95/493270195.db2.gz QXNUVAZMGPQJIY-GOSISDBHSA-N 2 1 374.485 0.758 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811306 493303045 /nfs/dbraw/zinc/30/30/45/493303045.db2.gz JHYZODKKZUIASQ-OAHLLOKOSA-N 2 1 365.526 0.845 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000673270149 493309971 /nfs/dbraw/zinc/30/99/71/493309971.db2.gz KXMHFQVODUCBGT-CVEARBPZSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000673270149 493309974 /nfs/dbraw/zinc/30/99/74/493309974.db2.gz KXMHFQVODUCBGT-CVEARBPZSA-N 2 1 356.511 0.447 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673428024 493327369 /nfs/dbraw/zinc/32/73/69/493327369.db2.gz SMRWLVDZNGHARL-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000673428024 493327371 /nfs/dbraw/zinc/32/73/71/493327371.db2.gz SMRWLVDZNGHARL-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000673428024 493327373 /nfs/dbraw/zinc/32/73/73/493327373.db2.gz SMRWLVDZNGHARL-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000660165960 493332034 /nfs/dbraw/zinc/33/20/34/493332034.db2.gz XXKKWEDUSIBAEK-BBWFWOEESA-N 2 1 351.491 0.593 20 0 FCADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655375 493370555 /nfs/dbraw/zinc/37/05/55/493370555.db2.gz LVYBXOJTTOBLOZ-FQEVSTJZSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655375 493370559 /nfs/dbraw/zinc/37/05/59/493370559.db2.gz LVYBXOJTTOBLOZ-FQEVSTJZSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655375 493370562 /nfs/dbraw/zinc/37/05/62/493370562.db2.gz LVYBXOJTTOBLOZ-FQEVSTJZSA-N 2 1 372.517 0.933 20 0 FCADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000683813920 493371759 /nfs/dbraw/zinc/37/17/59/493371759.db2.gz ZKFSUBSJIMBOTN-ZFWWWQNUSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683813920 493371762 /nfs/dbraw/zinc/37/17/62/493371762.db2.gz ZKFSUBSJIMBOTN-ZFWWWQNUSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000660830055 493383686 /nfs/dbraw/zinc/38/36/86/493383686.db2.gz KUVQMGSWRBKQQK-AEFFLSMTSA-N 2 1 367.538 0.422 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853372 493386950 /nfs/dbraw/zinc/38/69/50/493386950.db2.gz WPQRIXNIWSTPPT-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853372 493386953 /nfs/dbraw/zinc/38/69/53/493386953.db2.gz WPQRIXNIWSTPPT-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853372 493386955 /nfs/dbraw/zinc/38/69/55/493386955.db2.gz WPQRIXNIWSTPPT-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000661024889 493403524 /nfs/dbraw/zinc/40/35/24/493403524.db2.gz IEWQIQIKCUIBAW-KRWDZBQOSA-N 2 1 367.538 0.023 20 0 FCADMP COC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329505 493408924 /nfs/dbraw/zinc/40/89/24/493408924.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 2 1 367.538 0.565 20 0 FCADMP COC1CC[NH+](CCNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000674329505 493408928 /nfs/dbraw/zinc/40/89/28/493408928.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 2 1 367.538 0.565 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000661314078 493426769 /nfs/dbraw/zinc/42/67/69/493426769.db2.gz ZVAKDPGTVQTIJZ-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000668892182 493429496 /nfs/dbraw/zinc/42/94/96/493429496.db2.gz YMEZYVSOZIDWEO-ULQDDVLXSA-N 2 1 366.506 0.347 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)CC2)c1 ZINC000661408725 493435325 /nfs/dbraw/zinc/43/53/25/493435325.db2.gz BCBLYTQDUQASND-IRXDYDNUSA-N 2 1 371.485 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)CC2)c1 ZINC000661408725 493435329 /nfs/dbraw/zinc/43/53/29/493435329.db2.gz BCBLYTQDUQASND-IRXDYDNUSA-N 2 1 371.485 0.591 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000669035197 493455772 /nfs/dbraw/zinc/45/57/72/493455772.db2.gz ALSRUUWFHIULEJ-PVAVHDDUSA-N 2 1 356.511 0.881 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000685276927 493471886 /nfs/dbraw/zinc/47/18/86/493471886.db2.gz DKWGIWOYTTVJRB-LSDHHAIUSA-N 2 1 357.458 0.472 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342511 493481779 /nfs/dbraw/zinc/48/17/79/493481779.db2.gz JAWKLIVSNGFZPC-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342511 493481782 /nfs/dbraw/zinc/48/17/82/493481782.db2.gz JAWKLIVSNGFZPC-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685343242 493482418 /nfs/dbraw/zinc/48/24/18/493482418.db2.gz LJFRFILUNPAXKJ-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343242 493482420 /nfs/dbraw/zinc/48/24/20/493482420.db2.gz LJFRFILUNPAXKJ-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262516 493501431 /nfs/dbraw/zinc/50/14/31/493501431.db2.gz VWHBHAZZALTTST-WBVHZDCISA-N 2 1 350.507 0.572 20 0 FCADMP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420521 493503117 /nfs/dbraw/zinc/50/31/17/493503117.db2.gz NZUBJCHTQDIKRE-SFHVURJKSA-N 2 1 373.501 0.630 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2c(=O)n(C)c1=O ZINC000662295638 493504511 /nfs/dbraw/zinc/50/45/11/493504511.db2.gz VZHLNPQJWGZTTE-OAHLLOKOSA-N 2 1 374.489 0.145 20 0 FCADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000669444054 493504592 /nfs/dbraw/zinc/50/45/92/493504592.db2.gz QBRYVTCKEFHOHG-BZUAXINKSA-N 2 1 353.511 0.698 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296734 493504858 /nfs/dbraw/zinc/50/48/58/493504858.db2.gz MHZWFQDGGXEHOJ-KRWDZBQOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494894 493507415 /nfs/dbraw/zinc/50/74/15/493507415.db2.gz UISGSYQTENDDIF-CGTJXYLNSA-N 2 1 362.474 0.564 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494894 493507419 /nfs/dbraw/zinc/50/74/19/493507419.db2.gz UISGSYQTENDDIF-CGTJXYLNSA-N 2 1 362.474 0.564 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC[C@H]1C[NH2+]CCO1 ZINC000669570334 493511499 /nfs/dbraw/zinc/51/14/99/493511499.db2.gz SPEOGACJWXNDGG-IAGOWNOFSA-N 2 1 364.515 0.892 20 0 FCADMP COC1CC[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000669610275 493513906 /nfs/dbraw/zinc/51/39/06/493513906.db2.gz OXJSHXCLILYJQZ-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662659327 493530286 /nfs/dbraw/zinc/53/02/86/493530286.db2.gz SBKFJMHMMNBDCB-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662704531 493533263 /nfs/dbraw/zinc/53/32/63/493533263.db2.gz DCCOQWXCIOEXFL-KBRIMQKVSA-N 2 1 359.474 0.860 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cnnn1C1CC[NH2+]CC1 ZINC000662705589 493533454 /nfs/dbraw/zinc/53/34/54/493533454.db2.gz QDIYFMNJEUYPIK-IAGOWNOFSA-N 2 1 374.489 0.576 20 0 FCADMP C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246984 493534300 /nfs/dbraw/zinc/53/43/00/493534300.db2.gz YSVPVTUIRSVGBB-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246984 493534303 /nfs/dbraw/zinc/53/43/03/493534303.db2.gz YSVPVTUIRSVGBB-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000662717633 493534284 /nfs/dbraw/zinc/53/42/84/493534284.db2.gz QBWCOCQHVOWALH-OIISXLGYSA-N 2 1 362.478 0.264 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676245232 493534648 /nfs/dbraw/zinc/53/46/48/493534648.db2.gz GOCDVEATSILKCM-ZMSDIMECSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245232 493534649 /nfs/dbraw/zinc/53/46/49/493534649.db2.gz GOCDVEATSILKCM-ZMSDIMECSA-N 2 1 354.495 0.506 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC000662721940 493534663 /nfs/dbraw/zinc/53/46/63/493534663.db2.gz FTCMPVVINKXETH-DLBZAZTESA-N 2 1 366.506 0.143 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000669934516 493536190 /nfs/dbraw/zinc/53/61/90/493536190.db2.gz OUCCEIZDJCVESO-GFCCVEGCSA-N 2 1 350.385 0.151 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000669934516 493536192 /nfs/dbraw/zinc/53/61/92/493536192.db2.gz OUCCEIZDJCVESO-GFCCVEGCSA-N 2 1 350.385 0.151 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662755461 493539544 /nfs/dbraw/zinc/53/95/44/493539544.db2.gz AUHVDFIUZSYKED-ZWKOTPCHSA-N 2 1 362.474 0.615 20 0 FCADMP [NH3+][C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1F ZINC000662771852 493540582 /nfs/dbraw/zinc/54/05/82/493540582.db2.gz BTXMKWOCXQRNJY-OLZOCXBDSA-N 2 1 366.334 0.917 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676307223 493544519 /nfs/dbraw/zinc/54/45/19/493544519.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 2 1 369.554 0.763 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676307223 493544522 /nfs/dbraw/zinc/54/45/22/493544522.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 3 1 369.554 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676307223 493544523 /nfs/dbraw/zinc/54/45/23/493544523.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676307223 493544526 /nfs/dbraw/zinc/54/45/26/493544526.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676307223 493544528 /nfs/dbraw/zinc/54/45/28/493544528.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 3 1 369.554 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000662895655 493549989 /nfs/dbraw/zinc/54/99/89/493549989.db2.gz FIUCYSIXAWLADX-TWMKSMIVSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000662953899 493560621 /nfs/dbraw/zinc/56/06/21/493560621.db2.gz RAIUXNGWEPHVMZ-LMMKCTJWSA-N 2 1 372.513 0.971 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)CC2 ZINC000670444835 493568566 /nfs/dbraw/zinc/56/85/66/493568566.db2.gz RXGVVNACVABUQY-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)CC2 ZINC000670444835 493568567 /nfs/dbraw/zinc/56/85/67/493568567.db2.gz RXGVVNACVABUQY-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC000670444835 493568568 /nfs/dbraw/zinc/56/85/68/493568568.db2.gz RXGVVNACVABUQY-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CC1(C)CC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000670481896 493573387 /nfs/dbraw/zinc/57/33/87/493573387.db2.gz DZXNCMHURPBDSD-UHFFFAOYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670509738 493576576 /nfs/dbraw/zinc/57/65/76/493576576.db2.gz BUDYCBQFXYKREU-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670509738 493576577 /nfs/dbraw/zinc/57/65/77/493576577.db2.gz BUDYCBQFXYKREU-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670572895 493580444 /nfs/dbraw/zinc/58/04/44/493580444.db2.gz OAPHJHKAJHEJET-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670572895 493580445 /nfs/dbraw/zinc/58/04/45/493580445.db2.gz OAPHJHKAJHEJET-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000677152687 493587370 /nfs/dbraw/zinc/58/73/70/493587370.db2.gz ITKOPZUUNGSACL-HUUCEWRRSA-N 2 1 362.526 0.396 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000670671411 493587534 /nfs/dbraw/zinc/58/75/34/493587534.db2.gz CMAQKEFXALKZCB-SJORKVTESA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)COCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670716994 493589890 /nfs/dbraw/zinc/58/98/90/493589890.db2.gz NWWAXPMZZGUFLY-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)COCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670716994 493589893 /nfs/dbraw/zinc/58/98/93/493589893.db2.gz NWWAXPMZZGUFLY-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663612448 493603944 /nfs/dbraw/zinc/60/39/44/493603944.db2.gz HMJKTPSUGUYHMQ-AUUYWEPGSA-N 2 1 360.458 0.887 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663620826 493605249 /nfs/dbraw/zinc/60/52/49/493605249.db2.gz NONFZQAUPMVZKY-KRWDZBQOSA-N 2 1 365.522 0.572 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663620826 493605251 /nfs/dbraw/zinc/60/52/51/493605251.db2.gz NONFZQAUPMVZKY-KRWDZBQOSA-N 2 1 365.522 0.572 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000677787340 493616194 /nfs/dbraw/zinc/61/61/94/493616194.db2.gz CXKMLBGEOVZEMB-RTBURBONSA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000677787340 493616197 /nfs/dbraw/zinc/61/61/97/493616197.db2.gz CXKMLBGEOVZEMB-RTBURBONSA-N 2 1 360.502 0.233 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000670977363 493617420 /nfs/dbraw/zinc/61/74/20/493617420.db2.gz LWJZOXCHFXHAFO-LJQANCHMSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000670977363 493617423 /nfs/dbraw/zinc/61/74/23/493617423.db2.gz LWJZOXCHFXHAFO-LJQANCHMSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670977363 493617424 /nfs/dbraw/zinc/61/74/24/493617424.db2.gz LWJZOXCHFXHAFO-LJQANCHMSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670977363 493617426 /nfs/dbraw/zinc/61/74/26/493617426.db2.gz LWJZOXCHFXHAFO-LJQANCHMSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000670984504 493619532 /nfs/dbraw/zinc/61/95/32/493619532.db2.gz MYDYFULBNYEHSG-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671091338 493631927 /nfs/dbraw/zinc/63/19/27/493631927.db2.gz SDPZCNSJEKJBIX-YOEHRIQHSA-N 2 1 362.474 0.200 20 0 FCADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671091338 493631929 /nfs/dbraw/zinc/63/19/29/493631929.db2.gz SDPZCNSJEKJBIX-YOEHRIQHSA-N 2 1 362.474 0.200 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100307 493632741 /nfs/dbraw/zinc/63/27/41/493632741.db2.gz BJPUYIAHZWGCAT-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671106645 493635611 /nfs/dbraw/zinc/63/56/11/493635611.db2.gz WSCXIQWPKNYPQQ-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671106645 493635612 /nfs/dbraw/zinc/63/56/12/493635612.db2.gz WSCXIQWPKNYPQQ-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671106645 493635613 /nfs/dbraw/zinc/63/56/13/493635613.db2.gz WSCXIQWPKNYPQQ-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671106645 493635614 /nfs/dbraw/zinc/63/56/14/493635614.db2.gz WSCXIQWPKNYPQQ-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)cn2)CC1 ZINC000678135431 493636265 /nfs/dbraw/zinc/63/62/65/493636265.db2.gz NKLCUSNPRCFELN-IBGZPJMESA-N 2 1 374.533 0.915 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cn2)CC1 ZINC000678135431 493636267 /nfs/dbraw/zinc/63/62/67/493636267.db2.gz NKLCUSNPRCFELN-IBGZPJMESA-N 2 1 374.533 0.915 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671108358 493636301 /nfs/dbraw/zinc/63/63/01/493636301.db2.gz OIDMRNZOYDMIPA-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671108358 493636302 /nfs/dbraw/zinc/63/63/02/493636302.db2.gz OIDMRNZOYDMIPA-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671108358 493636305 /nfs/dbraw/zinc/63/63/05/493636305.db2.gz OIDMRNZOYDMIPA-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109921 493636623 /nfs/dbraw/zinc/63/66/23/493636623.db2.gz ZFFDTBJJHVVWJF-WBVHZDCISA-N 2 1 357.458 0.473 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000664182089 493642331 /nfs/dbraw/zinc/64/23/31/493642331.db2.gz MOFIPWFFPZBGRW-GVDBMIGSSA-N 2 1 366.506 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664182089 493642335 /nfs/dbraw/zinc/64/23/35/493642335.db2.gz MOFIPWFFPZBGRW-GVDBMIGSSA-N 2 1 366.506 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181566 493642574 /nfs/dbraw/zinc/64/25/74/493642574.db2.gz KNTIRTRQWRIYRN-UONOGXRCSA-N 2 1 353.467 0.500 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000671171260 493645052 /nfs/dbraw/zinc/64/50/52/493645052.db2.gz LHUKNTYYCDOSGB-DLBZAZTESA-N 2 1 366.506 0.015 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000664535394 493665800 /nfs/dbraw/zinc/66/58/00/493665800.db2.gz FVYGZPLOJMFPHN-KRWDZBQOSA-N 2 1 361.490 0.835 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000664535394 493665802 /nfs/dbraw/zinc/66/58/02/493665802.db2.gz FVYGZPLOJMFPHN-KRWDZBQOSA-N 2 1 361.490 0.835 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679499282 493683334 /nfs/dbraw/zinc/68/33/34/493683334.db2.gz FAUZCRVCGBEMPV-CYBMUJFWSA-N 2 1 354.414 0.806 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679499282 493683337 /nfs/dbraw/zinc/68/33/37/493683337.db2.gz FAUZCRVCGBEMPV-CYBMUJFWSA-N 2 1 354.414 0.806 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679500224 493683356 /nfs/dbraw/zinc/68/33/56/493683356.db2.gz RPKZTKFOLBWARE-ZFWWWQNUSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679500224 493683358 /nfs/dbraw/zinc/68/33/58/493683358.db2.gz RPKZTKFOLBWARE-ZFWWWQNUSA-N 2 1 354.414 0.949 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000671960566 493718645 /nfs/dbraw/zinc/71/86/45/493718645.db2.gz GMCDLJIZFBQHPD-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000672010301 493723964 /nfs/dbraw/zinc/72/39/64/493723964.db2.gz NANXWCDTLBKDBJ-MRXNPFEDSA-N 2 1 373.501 0.885 20 0 FCADMP CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665639886 493729240 /nfs/dbraw/zinc/72/92/40/493729240.db2.gz HSGKNJGAQFJVIN-JKSUJKDBSA-N 2 1 355.527 0.959 20 0 FCADMP CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665639886 493729242 /nfs/dbraw/zinc/72/92/42/493729242.db2.gz HSGKNJGAQFJVIN-JKSUJKDBSA-N 2 1 355.527 0.959 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000665719840 493731265 /nfs/dbraw/zinc/73/12/65/493731265.db2.gz XTHOPRKNIFXPES-MRXNPFEDSA-N 2 1 354.495 0.459 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000665719840 493731267 /nfs/dbraw/zinc/73/12/67/493731267.db2.gz XTHOPRKNIFXPES-MRXNPFEDSA-N 2 1 354.495 0.459 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000665727972 493732174 /nfs/dbraw/zinc/73/21/74/493732174.db2.gz PUJKBMISJJPYRQ-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000672166106 493740415 /nfs/dbraw/zinc/74/04/15/493740415.db2.gz RZXFQNNBCMXOBZ-WMLDXEAASA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241722 493745734 /nfs/dbraw/zinc/74/57/34/493745734.db2.gz KSBBUXNTLWNFNE-VXGBXAGGSA-N 2 1 373.379 0.614 20 0 FCADMP CN1CC[C@@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241722 493745738 /nfs/dbraw/zinc/74/57/38/493745738.db2.gz KSBBUXNTLWNFNE-VXGBXAGGSA-N 2 1 373.379 0.614 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304041 493751746 /nfs/dbraw/zinc/75/17/46/493751746.db2.gz FXTGUIHMWUGUQB-DLBZAZTESA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304041 493751748 /nfs/dbraw/zinc/75/17/48/493751748.db2.gz FXTGUIHMWUGUQB-DLBZAZTESA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304041 493751750 /nfs/dbraw/zinc/75/17/50/493751750.db2.gz FXTGUIHMWUGUQB-DLBZAZTESA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672305055 493752355 /nfs/dbraw/zinc/75/23/55/493752355.db2.gz YQBNNMMPAUUDOA-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000947972330 674369603 /nfs/dbraw/zinc/36/96/03/674369603.db2.gz FLCASERQPQUKTN-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000410729853 527821596 /nfs/dbraw/zinc/82/15/96/527821596.db2.gz KQKWMROTBGEUPS-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000410729853 527821598 /nfs/dbraw/zinc/82/15/98/527821598.db2.gz KQKWMROTBGEUPS-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000410812506 527829037 /nfs/dbraw/zinc/82/90/37/527829037.db2.gz XWGGWVPUNUONJC-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000410812506 527829043 /nfs/dbraw/zinc/82/90/43/527829043.db2.gz XWGGWVPUNUONJC-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000410812506 527829047 /nfs/dbraw/zinc/82/90/47/527829047.db2.gz XWGGWVPUNUONJC-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410811961 527829408 /nfs/dbraw/zinc/82/94/08/527829408.db2.gz XAZSKFITVUUKDV-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410811961 527829414 /nfs/dbraw/zinc/82/94/14/527829414.db2.gz XAZSKFITVUUKDV-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410811961 527829417 /nfs/dbraw/zinc/82/94/17/527829417.db2.gz XAZSKFITVUUKDV-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000410945932 527891038 /nfs/dbraw/zinc/89/10/38/527891038.db2.gz ONPPYLUKEYESLN-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410945932 527891041 /nfs/dbraw/zinc/89/10/41/527891041.db2.gz ONPPYLUKEYESLN-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410945932 527891045 /nfs/dbraw/zinc/89/10/45/527891045.db2.gz ONPPYLUKEYESLN-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@@H]1C ZINC000410700047 527922328 /nfs/dbraw/zinc/92/23/28/527922328.db2.gz IVYNAQTVVVZQFK-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@@H]1C ZINC000410700047 527922333 /nfs/dbraw/zinc/92/23/33/527922333.db2.gz IVYNAQTVVVZQFK-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@@H]1C ZINC000410700047 527922334 /nfs/dbraw/zinc/92/23/34/527922334.db2.gz IVYNAQTVVVZQFK-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@@H]1C ZINC000410700047 527922338 /nfs/dbraw/zinc/92/23/38/527922338.db2.gz IVYNAQTVVVZQFK-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000410732038 527989683 /nfs/dbraw/zinc/98/96/83/527989683.db2.gz JCSJIFCBXNWPEP-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410503272 528122925 /nfs/dbraw/zinc/12/29/25/528122925.db2.gz MJLGXVJWWVDIHH-IBGZPJMESA-N 2 1 368.522 0.357 20 0 FCADMP CC1CCC([NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)CC1 ZINC000410572933 528193839 /nfs/dbraw/zinc/19/38/39/528193839.db2.gz NQUHPWHXDIPMJA-JYSRZZCRSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410781337 528248426 /nfs/dbraw/zinc/24/84/26/528248426.db2.gz BUOOADPRRIZGNB-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410805366 528433790 /nfs/dbraw/zinc/43/37/90/528433790.db2.gz ADFRPGVQLGMHOE-OAHLLOKOSA-N 2 1 356.511 0.090 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410805366 528433793 /nfs/dbraw/zinc/43/37/93/528433793.db2.gz ADFRPGVQLGMHOE-OAHLLOKOSA-N 2 1 356.511 0.090 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410799093 528446263 /nfs/dbraw/zinc/44/62/63/528446263.db2.gz DDAJWPUMIVWMSX-IBGZPJMESA-N 2 1 350.507 0.875 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 ZINC000411698619 528978621 /nfs/dbraw/zinc/97/86/21/528978621.db2.gz XFRLFOYPPVXPEE-AWEZNQCLSA-N 2 1 364.494 0.916 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 ZINC000411698619 528978634 /nfs/dbraw/zinc/97/86/34/528978634.db2.gz XFRLFOYPPVXPEE-AWEZNQCLSA-N 2 1 364.494 0.916 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000410848353 529033713 /nfs/dbraw/zinc/03/37/13/529033713.db2.gz YPEYXWYPUPNBRB-QGZVFWFLSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000410848353 529033720 /nfs/dbraw/zinc/03/37/20/529033720.db2.gz YPEYXWYPUPNBRB-QGZVFWFLSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000410720276 529350975 /nfs/dbraw/zinc/35/09/75/529350975.db2.gz RGXODIGICVNDIZ-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC[N@@H+]1CCOC ZINC000410974081 529355540 /nfs/dbraw/zinc/35/55/40/529355540.db2.gz ISGKEBHNWYLPSV-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC[N@H+]1CCOC ZINC000410974081 529355543 /nfs/dbraw/zinc/35/55/43/529355543.db2.gz ISGKEBHNWYLPSV-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC[NH+]1CCOC ZINC000410974081 529355544 /nfs/dbraw/zinc/35/55/44/529355544.db2.gz ISGKEBHNWYLPSV-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC[NH+]1CCOC ZINC000410974081 529355547 /nfs/dbraw/zinc/35/55/47/529355547.db2.gz ISGKEBHNWYLPSV-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419392781 535080235 /nfs/dbraw/zinc/08/02/35/535080235.db2.gz LSKSOJZETLXQSK-KRWDZBQOSA-N 2 1 358.486 0.889 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419398975 535083051 /nfs/dbraw/zinc/08/30/51/535083051.db2.gz YAEUVWUTWCUZPR-QGZVFWFLSA-N 2 1 374.485 0.126 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[N@@H+]1C ZINC000415180245 535253955 /nfs/dbraw/zinc/25/39/55/535253955.db2.gz WNRAQIZDUOJDEC-PBHICJAKSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[N@H+]1C ZINC000415180245 535253962 /nfs/dbraw/zinc/25/39/62/535253962.db2.gz WNRAQIZDUOJDEC-PBHICJAKSA-N 2 1 359.474 0.635 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000444169456 535439649 /nfs/dbraw/zinc/43/96/49/535439649.db2.gz KGRQONCRSXIUQK-QMTMVMCOSA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419587905 535478296 /nfs/dbraw/zinc/47/82/96/535478296.db2.gz NWUGHCMWPULJHW-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423618752 535559138 /nfs/dbraw/zinc/55/91/38/535559138.db2.gz HWTMFMFNDZZNCY-OAHLLOKOSA-N 2 1 354.495 0.286 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896922 535771253 /nfs/dbraw/zinc/77/12/53/535771253.db2.gz YIBDJOGMGYHAOW-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442362236 535871212 /nfs/dbraw/zinc/87/12/12/535871212.db2.gz PPMIPSIFWQMMFQ-UHFFFAOYSA-N 2 1 368.570 0.338 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442362236 535871219 /nfs/dbraw/zinc/87/12/19/535871219.db2.gz PPMIPSIFWQMMFQ-UHFFFAOYSA-N 2 1 368.570 0.338 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442362236 535871227 /nfs/dbraw/zinc/87/12/27/535871227.db2.gz PPMIPSIFWQMMFQ-UHFFFAOYSA-N 2 1 368.570 0.338 20 0 FCADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(CCOC)CC[NH2+]C3)CC2)cn1 ZINC000423757522 536055847 /nfs/dbraw/zinc/05/58/47/536055847.db2.gz MQMIALUETBXLMA-LJQANCHMSA-N 2 1 363.506 0.954 20 0 FCADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(CCOC)CC[NH2+]C3)CC2)cn1 ZINC000423757522 536055852 /nfs/dbraw/zinc/05/58/52/536055852.db2.gz MQMIALUETBXLMA-LJQANCHMSA-N 2 1 363.506 0.954 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000419657275 536368766 /nfs/dbraw/zinc/36/87/66/536368766.db2.gz JMZOQMXBPATUMD-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000419657271 536368775 /nfs/dbraw/zinc/36/87/75/536368775.db2.gz JMZOQMXBPATUMD-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419221464 536368959 /nfs/dbraw/zinc/36/89/59/536368959.db2.gz AQJSBOHGSHRUNE-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](CCN1CCN(c2ccccc2)CC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700105 536372626 /nfs/dbraw/zinc/37/26/26/536372626.db2.gz KFVKULBHQZPCNG-IBGZPJMESA-N 2 1 373.545 0.938 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613919 536416294 /nfs/dbraw/zinc/41/62/94/536416294.db2.gz RXEYAZUYOHHBEX-GHTZIAJQSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419445180 536417057 /nfs/dbraw/zinc/41/70/57/536417057.db2.gz DNMXGNRMHRXNBJ-SJORKVTESA-N 2 1 373.501 0.134 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419228832 536442656 /nfs/dbraw/zinc/44/26/56/536442656.db2.gz NDPMYNIWANDACC-KRWDZBQOSA-N 2 1 350.507 0.825 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000423902164 536452540 /nfs/dbraw/zinc/45/25/40/536452540.db2.gz UTDGYJKAGRXENQ-CZUORRHYSA-N 2 1 351.422 0.964 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000423902164 536452544 /nfs/dbraw/zinc/45/25/44/536452544.db2.gz UTDGYJKAGRXENQ-CZUORRHYSA-N 2 1 351.422 0.964 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000423893602 536453239 /nfs/dbraw/zinc/45/32/39/536453239.db2.gz LJYKCSCEMCYATQ-GDBMZVCRSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000423893602 536453241 /nfs/dbraw/zinc/45/32/41/536453241.db2.gz LJYKCSCEMCYATQ-GDBMZVCRSA-N 2 1 363.462 0.517 20 0 FCADMP COC[C@]1(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360270 536653573 /nfs/dbraw/zinc/65/35/73/536653573.db2.gz QIWMYIKSWQTVEY-FCEWJHQRSA-N 2 1 353.507 0.960 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422295741 536746734 /nfs/dbraw/zinc/74/67/34/536746734.db2.gz FWUYYNQVQLUGLX-HNNXBMFYSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423656336 536775596 /nfs/dbraw/zinc/77/55/96/536775596.db2.gz WSJKDOJHKFDEJP-QGZVFWFLSA-N 2 1 368.522 0.533 20 0 FCADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c(OC)c1 ZINC000414968547 536779401 /nfs/dbraw/zinc/77/94/01/536779401.db2.gz CYQQEUXUTRCUSN-UONOGXRCSA-N 2 1 350.463 0.914 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000418827632 537107677 /nfs/dbraw/zinc/10/76/77/537107677.db2.gz CKWALQBMARXBOC-VYDXJSESSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472010 546650475 /nfs/dbraw/zinc/65/04/75/546650475.db2.gz DEKZOLZPCHRNIK-CYBMUJFWSA-N 2 1 351.426 0.699 20 0 FCADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472010 546650476 /nfs/dbraw/zinc/65/04/76/546650476.db2.gz DEKZOLZPCHRNIK-CYBMUJFWSA-N 2 1 351.426 0.699 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152774507 546925789 /nfs/dbraw/zinc/92/57/89/546925789.db2.gz HRQYUIRKSVULPO-DOTOQJQBSA-N 2 1 356.511 0.894 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152774507 546925795 /nfs/dbraw/zinc/92/57/95/546925795.db2.gz HRQYUIRKSVULPO-DOTOQJQBSA-N 2 1 356.511 0.894 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884094 547034713 /nfs/dbraw/zinc/03/47/13/547034713.db2.gz LRXIXWGAGAZPHE-GUYCJALGSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884094 547034720 /nfs/dbraw/zinc/03/47/20/547034720.db2.gz LRXIXWGAGAZPHE-GUYCJALGSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000545884094 547034724 /nfs/dbraw/zinc/03/47/24/547034724.db2.gz LRXIXWGAGAZPHE-GUYCJALGSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000545884094 547034727 /nfs/dbraw/zinc/03/47/27/547034727.db2.gz LRXIXWGAGAZPHE-GUYCJALGSA-N 2 1 352.504 0.861 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000550456262 547087243 /nfs/dbraw/zinc/08/72/43/547087243.db2.gz CFNHHPZISLFYTC-ZBFHGGJFSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000550456262 547087247 /nfs/dbraw/zinc/08/72/47/547087247.db2.gz CFNHHPZISLFYTC-ZBFHGGJFSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000550456262 547087253 /nfs/dbraw/zinc/08/72/53/547087253.db2.gz CFNHHPZISLFYTC-ZBFHGGJFSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550658345 547094751 /nfs/dbraw/zinc/09/47/51/547094751.db2.gz JWADJXPBASADIM-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784065 547104842 /nfs/dbraw/zinc/10/48/42/547104842.db2.gz COVHWFVMADGHHH-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550784065 547104845 /nfs/dbraw/zinc/10/48/45/547104845.db2.gz COVHWFVMADGHHH-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550784065 547104850 /nfs/dbraw/zinc/10/48/50/547104850.db2.gz COVHWFVMADGHHH-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550838432 547109819 /nfs/dbraw/zinc/10/98/19/547109819.db2.gz HITIMYWZQRZKNN-YOEHRIQHSA-N 2 1 356.536 0.340 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000550840956 547111122 /nfs/dbraw/zinc/11/11/22/547111122.db2.gz XXBKAQOWWKWLKW-RLFYNMQTSA-N 2 1 370.563 0.871 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@H]1C ZINC000550952352 547117019 /nfs/dbraw/zinc/11/70/19/547117019.db2.gz SALLWYHROGUBMU-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+](C)CCOC)C[C@H]1C ZINC000550952352 547117023 /nfs/dbraw/zinc/11/70/23/547117023.db2.gz SALLWYHROGUBMU-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+](C)CCOC)C[C@H]1C ZINC000550952352 547117027 /nfs/dbraw/zinc/11/70/27/547117027.db2.gz SALLWYHROGUBMU-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000551048679 547122294 /nfs/dbraw/zinc/12/22/94/547122294.db2.gz LKDBGJXWAOGZLC-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000551210837 547134711 /nfs/dbraw/zinc/13/47/11/547134711.db2.gz ABDPSOSVZBVLAH-RHSMWYFYSA-N 2 1 356.536 0.340 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216694 547135670 /nfs/dbraw/zinc/13/56/70/547135670.db2.gz ABTLKDJSVHEUOO-RDTXWAMCSA-N 2 1 368.547 0.673 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551499698 547149944 /nfs/dbraw/zinc/14/99/44/547149944.db2.gz VWUIBRUBJBCXFA-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551499698 547149949 /nfs/dbraw/zinc/14/99/49/547149949.db2.gz VWUIBRUBJBCXFA-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551499698 547149956 /nfs/dbraw/zinc/14/99/56/547149956.db2.gz VWUIBRUBJBCXFA-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176146 547193615 /nfs/dbraw/zinc/19/36/15/547193615.db2.gz YNFYCNRBDKREOA-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552176146 547193621 /nfs/dbraw/zinc/19/36/21/547193621.db2.gz YNFYCNRBDKREOA-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552176146 547193622 /nfs/dbraw/zinc/19/36/22/547193622.db2.gz YNFYCNRBDKREOA-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000552623782 547219814 /nfs/dbraw/zinc/21/98/14/547219814.db2.gz FOVLOKXIVJLTAR-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000552623782 547219819 /nfs/dbraw/zinc/21/98/19/547219819.db2.gz FOVLOKXIVJLTAR-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000552623782 547219821 /nfs/dbraw/zinc/21/98/21/547219821.db2.gz FOVLOKXIVJLTAR-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000552970763 547243562 /nfs/dbraw/zinc/24/35/62/547243562.db2.gz OXENSSSHSQNZGJ-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000553367727 547273411 /nfs/dbraw/zinc/27/34/11/547273411.db2.gz YQZVVPKWJPFWKI-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000553367727 547273417 /nfs/dbraw/zinc/27/34/17/547273417.db2.gz YQZVVPKWJPFWKI-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000553367727 547273420 /nfs/dbraw/zinc/27/34/20/547273420.db2.gz YQZVVPKWJPFWKI-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCNC(=O)N(C)C)CC2)CC1 ZINC000553539184 547286657 /nfs/dbraw/zinc/28/66/57/547286657.db2.gz YRWJIXYUVVBURR-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000553600705 547293443 /nfs/dbraw/zinc/29/34/43/547293443.db2.gz WDNYWUCRZJBLIY-QGZVFWFLSA-N 2 1 356.511 0.849 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686884 547300604 /nfs/dbraw/zinc/30/06/04/547300604.db2.gz JZEOZXPBSZROJF-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000553686884 547300608 /nfs/dbraw/zinc/30/06/08/547300608.db2.gz JZEOZXPBSZROJF-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000553686884 547300614 /nfs/dbraw/zinc/30/06/14/547300614.db2.gz JZEOZXPBSZROJF-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000553704966 547302097 /nfs/dbraw/zinc/30/20/97/547302097.db2.gz LAWKHBLRBIXGNF-FLOBVVSRSA-N 2 1 352.479 0.986 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000568802303 547317698 /nfs/dbraw/zinc/31/76/98/547317698.db2.gz LODBNMMAIKMHIM-CABCVRRESA-N 2 1 350.507 0.942 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573491296 547318467 /nfs/dbraw/zinc/31/84/67/547318467.db2.gz DEBSJEPXDUOUHC-KOZAUXTDSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573491296 547318473 /nfs/dbraw/zinc/31/84/73/547318473.db2.gz DEBSJEPXDUOUHC-KOZAUXTDSA-N 2 1 366.487 0.720 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356760 547337502 /nfs/dbraw/zinc/33/75/02/547337502.db2.gz WFSRYXHSJOVMKG-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356760 547337506 /nfs/dbraw/zinc/33/75/06/547337506.db2.gz WFSRYXHSJOVMKG-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356760 547337509 /nfs/dbraw/zinc/33/75/09/547337509.db2.gz WFSRYXHSJOVMKG-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000736767795 598890184 /nfs/dbraw/zinc/89/01/84/598890184.db2.gz SHQPNSPTVDMVRE-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000949868367 674414808 /nfs/dbraw/zinc/41/48/08/674414808.db2.gz LQDNZQDRYVMYKX-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000949940078 674416500 /nfs/dbraw/zinc/41/65/00/674416500.db2.gz JJIPOUMVNPWAFM-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000949943500 674416513 /nfs/dbraw/zinc/41/65/13/674416513.db2.gz CLULTJYWPLNWIV-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000950390225 674426632 /nfs/dbraw/zinc/42/66/32/674426632.db2.gz QRLJCIKFLSASLV-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000950390225 674426633 /nfs/dbraw/zinc/42/66/33/674426633.db2.gz QRLJCIKFLSASLV-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000950390225 674426634 /nfs/dbraw/zinc/42/66/34/674426634.db2.gz QRLJCIKFLSASLV-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000950390042 674426687 /nfs/dbraw/zinc/42/66/87/674426687.db2.gz HKGZMKYREVMFJL-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC000950390042 674426689 /nfs/dbraw/zinc/42/66/89/674426689.db2.gz HKGZMKYREVMFJL-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC000950390042 674426690 /nfs/dbraw/zinc/42/66/90/674426690.db2.gz HKGZMKYREVMFJL-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269375 598518429 /nfs/dbraw/zinc/51/84/29/598518429.db2.gz WLADPYAXXBAOCA-ZIAGYGMSSA-N 2 1 359.482 0.959 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882870 598530229 /nfs/dbraw/zinc/53/02/29/598530229.db2.gz USAOZUIWUSNSAN-KGLIPLIRSA-N 2 1 359.482 0.815 20 0 FCADMP C[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736859208 599355638 /nfs/dbraw/zinc/35/56/38/599355638.db2.gz XMDHLDOTIMFGOD-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000736859208 599355641 /nfs/dbraw/zinc/35/56/41/599355641.db2.gz XMDHLDOTIMFGOD-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736859208 599355645 /nfs/dbraw/zinc/35/56/45/599355645.db2.gz XMDHLDOTIMFGOD-HOCLYGCPSA-N 2 1 360.462 0.880 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000954408364 674496447 /nfs/dbraw/zinc/49/64/47/674496447.db2.gz BYUJKOSVMFBZKQ-GDBMZVCRSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000955339541 674511296 /nfs/dbraw/zinc/51/12/96/674511296.db2.gz JHSGVYUFGFLNMZ-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC000955339541 674511297 /nfs/dbraw/zinc/51/12/97/674511297.db2.gz JHSGVYUFGFLNMZ-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC000955339541 674511298 /nfs/dbraw/zinc/51/12/98/674511298.db2.gz JHSGVYUFGFLNMZ-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566393 674545956 /nfs/dbraw/zinc/54/59/56/674545956.db2.gz OAQKNGNKYGKGQW-GVDBMIGSSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566393 674545957 /nfs/dbraw/zinc/54/59/57/674545957.db2.gz OAQKNGNKYGKGQW-GVDBMIGSSA-N 2 1 353.507 0.791 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623745 606926583 /nfs/dbraw/zinc/92/65/83/606926583.db2.gz ROQLDWPROQOYMW-MSOLQXFVSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623745 606926584 /nfs/dbraw/zinc/92/65/84/606926584.db2.gz ROQLDWPROQOYMW-MSOLQXFVSA-N 2 1 371.489 0.612 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825453493 609205219 /nfs/dbraw/zinc/20/52/19/609205219.db2.gz VCOAIBPFRAGKCY-AWEZNQCLSA-N 2 1 360.466 0.683 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000958029304 674558481 /nfs/dbraw/zinc/55/84/81/674558481.db2.gz PYHAARMBGJACNC-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000989244513 665723442 /nfs/dbraw/zinc/72/34/42/665723442.db2.gz GQQVKEUIRPDBSN-BQJWPVKWSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000989244513 665723446 /nfs/dbraw/zinc/72/34/46/665723446.db2.gz GQQVKEUIRPDBSN-BQJWPVKWSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000989244513 665723448 /nfs/dbraw/zinc/72/34/48/665723448.db2.gz GQQVKEUIRPDBSN-BQJWPVKWSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989336541 665732099 /nfs/dbraw/zinc/73/20/99/665732099.db2.gz FWDWNUBTJVRBFR-FXUDXRNXSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989336541 665732100 /nfs/dbraw/zinc/73/21/00/665732100.db2.gz FWDWNUBTJVRBFR-FXUDXRNXSA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969701251 663189863 /nfs/dbraw/zinc/18/98/63/663189863.db2.gz ULEMFLQNOWQRBT-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@@H](C)C3)C2)CC[N@H+]1C ZINC001022104811 663404989 /nfs/dbraw/zinc/40/49/89/663404989.db2.gz DNGCYYFNCLPTNN-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001022105278 663405155 /nfs/dbraw/zinc/40/51/55/663405155.db2.gz XXTIPJPQNNMVCU-XGFWRYKXSA-N 2 1 351.451 0.854 20 0 FCADMP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001022105278 663405156 /nfs/dbraw/zinc/40/51/56/663405156.db2.gz XXTIPJPQNNMVCU-XGFWRYKXSA-N 2 1 351.451 0.854 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891536036 663412324 /nfs/dbraw/zinc/41/23/24/663412324.db2.gz BJCSRGHVQYVFEX-XQQFMLRXSA-N 2 1 352.401 0.876 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891537946 663412808 /nfs/dbraw/zinc/41/28/08/663412808.db2.gz OFGSNSYLSBMAEX-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891537945 663412843 /nfs/dbraw/zinc/41/28/43/663412843.db2.gz OFGSNSYLSBMAEX-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891538465 663413028 /nfs/dbraw/zinc/41/30/28/663413028.db2.gz ZTSQALYXAIPPDV-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891547264 663413504 /nfs/dbraw/zinc/41/35/04/663413504.db2.gz ZCSQDCKOENYZLR-ZNMIVQPWSA-N 2 1 353.467 0.295 20 0 FCADMP [NH3+]CC1(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891563536 663415803 /nfs/dbraw/zinc/41/58/03/663415803.db2.gz IUFSOZOMTDLADI-INIZCTEOSA-N 2 1 353.511 0.354 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000891582120 663416634 /nfs/dbraw/zinc/41/66/34/663416634.db2.gz CNTJDEGSLJOVLO-JKSUJKDBSA-N 2 1 354.495 0.413 20 0 FCADMP COCCC1(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000891604590 663418185 /nfs/dbraw/zinc/41/81/85/663418185.db2.gz ZCBRLJNDYCSYET-INIZCTEOSA-N 2 1 355.527 0.328 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccns3)C2)O1 ZINC000971780547 663428258 /nfs/dbraw/zinc/42/82/58/663428258.db2.gz DOWVCKPIFFWFBY-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccns3)C2)O1 ZINC000971780547 663428259 /nfs/dbraw/zinc/42/82/59/663428259.db2.gz DOWVCKPIFFWFBY-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCc3ccns3)C2)O1 ZINC000971780547 663428260 /nfs/dbraw/zinc/42/82/60/663428260.db2.gz DOWVCKPIFFWFBY-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccns3)C2)O1 ZINC000971780547 663428261 /nfs/dbraw/zinc/42/82/61/663428261.db2.gz DOWVCKPIFFWFBY-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022425194 663447472 /nfs/dbraw/zinc/44/74/72/663447472.db2.gz IMIBDUWOPQEICU-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891966723 663458571 /nfs/dbraw/zinc/45/85/71/663458571.db2.gz VEKKBQYVSFTKAE-KRWDZBQOSA-N 2 1 353.511 0.224 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000892081831 663474263 /nfs/dbraw/zinc/47/42/63/663474263.db2.gz FJJFXCKVLGTNKL-SJORKVTESA-N 2 1 353.511 0.224 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC1CCC([NH+]2CCNCC2)CC1 ZINC000892132713 663480511 /nfs/dbraw/zinc/48/05/11/663480511.db2.gz STORIPDHEDLUFN-WLYUNCDWSA-N 2 1 359.465 0.747 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892174541 663485443 /nfs/dbraw/zinc/48/54/43/663485443.db2.gz FGIHXFUTROWWBK-IKGGRYGDSA-N 2 1 353.511 0.210 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000899969382 665969475 /nfs/dbraw/zinc/96/94/75/665969475.db2.gz MAKULZRGMNDCML-GOSISDBHSA-N 2 1 352.523 0.726 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892336034 663574691 /nfs/dbraw/zinc/57/46/91/663574691.db2.gz YKNSQCPOSRGQBJ-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001023372531 663620015 /nfs/dbraw/zinc/62/00/15/663620015.db2.gz UFISJTCJQTYQIV-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001023372531 663620017 /nfs/dbraw/zinc/62/00/17/663620017.db2.gz UFISJTCJQTYQIV-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001023372531 663620018 /nfs/dbraw/zinc/62/00/18/663620018.db2.gz UFISJTCJQTYQIV-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000959658935 674582314 /nfs/dbraw/zinc/58/23/14/674582314.db2.gz IZTYCTGLFVXQFC-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000892939238 664164221 /nfs/dbraw/zinc/16/42/21/664164221.db2.gz XCCXFOSFIRJTNU-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000892939238 664164223 /nfs/dbraw/zinc/16/42/23/664164223.db2.gz XCCXFOSFIRJTNU-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000893054045 664202038 /nfs/dbraw/zinc/20/20/38/664202038.db2.gz UDINOCFLGIBANA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000893054045 664202039 /nfs/dbraw/zinc/20/20/39/664202039.db2.gz UDINOCFLGIBANA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000893054045 664202041 /nfs/dbraw/zinc/20/20/41/664202041.db2.gz UDINOCFLGIBANA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052218 664202157 /nfs/dbraw/zinc/20/21/57/664202157.db2.gz DKPSVRDSXNKGLT-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052218 664202160 /nfs/dbraw/zinc/20/21/60/664202160.db2.gz DKPSVRDSXNKGLT-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052218 664202162 /nfs/dbraw/zinc/20/21/62/664202162.db2.gz DKPSVRDSXNKGLT-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974189440 664227448 /nfs/dbraw/zinc/22/74/48/664227448.db2.gz GVEIDIGDIOMBPO-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974189440 664227451 /nfs/dbraw/zinc/22/74/51/664227451.db2.gz GVEIDIGDIOMBPO-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974189440 664227453 /nfs/dbraw/zinc/22/74/53/664227453.db2.gz GVEIDIGDIOMBPO-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)CC2(C)C)CC[N@@H+]1C ZINC000974600360 664267883 /nfs/dbraw/zinc/26/78/83/664267883.db2.gz PXUQBXVAXCPGNC-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)CC2(C)C)CC[N@H+]1C ZINC000974600360 664267884 /nfs/dbraw/zinc/26/78/84/664267884.db2.gz PXUQBXVAXCPGNC-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)CC[NH+]1C ZINC000974600360 664267885 /nfs/dbraw/zinc/26/78/85/664267885.db2.gz PXUQBXVAXCPGNC-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)CC[NH+]1C ZINC000974600360 664267888 /nfs/dbraw/zinc/26/78/88/664267888.db2.gz PXUQBXVAXCPGNC-ARFHVFGLSA-N 2 1 350.507 0.822 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001026916749 664277275 /nfs/dbraw/zinc/27/72/75/664277275.db2.gz NLWXPJCEIXGFDP-HZSPNIEDSA-N 2 1 367.519 0.758 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001026916749 664277278 /nfs/dbraw/zinc/27/72/78/664277278.db2.gz NLWXPJCEIXGFDP-HZSPNIEDSA-N 2 1 367.519 0.758 20 0 FCADMP COc1nscc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026915232 664277328 /nfs/dbraw/zinc/27/73/28/664277328.db2.gz MLJSFSFWWOFDDN-VNHYZAJKSA-N 2 1 368.503 0.809 20 0 FCADMP COc1nscc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026915232 664277330 /nfs/dbraw/zinc/27/73/30/664277330.db2.gz MLJSFSFWWOFDDN-VNHYZAJKSA-N 2 1 368.503 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000977796496 664424244 /nfs/dbraw/zinc/42/42/44/664424244.db2.gz CPZOYRJALDLXEE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000977796496 664424248 /nfs/dbraw/zinc/42/42/48/664424248.db2.gz CPZOYRJALDLXEE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000977796496 664424252 /nfs/dbraw/zinc/42/42/52/664424252.db2.gz CPZOYRJALDLXEE-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)O1 ZINC000978334773 664435162 /nfs/dbraw/zinc/43/51/62/664435162.db2.gz KCFCRLLYZNBYTQ-FXXCCUJSSA-N 2 1 351.491 0.426 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)O1 ZINC000978334773 664435165 /nfs/dbraw/zinc/43/51/65/664435165.db2.gz KCFCRLLYZNBYTQ-FXXCCUJSSA-N 2 1 351.491 0.426 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)O1 ZINC000978334773 664435168 /nfs/dbraw/zinc/43/51/68/664435168.db2.gz KCFCRLLYZNBYTQ-FXXCCUJSSA-N 2 1 351.491 0.426 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)O1 ZINC000978334773 664435171 /nfs/dbraw/zinc/43/51/71/664435171.db2.gz KCFCRLLYZNBYTQ-FXXCCUJSSA-N 2 1 351.491 0.426 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000978870025 664447333 /nfs/dbraw/zinc/44/73/33/664447333.db2.gz ONDWSIAXLPTSRO-BPKGMFCQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000978870025 664447335 /nfs/dbraw/zinc/44/73/35/664447335.db2.gz ONDWSIAXLPTSRO-BPKGMFCQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000978870025 664447337 /nfs/dbraw/zinc/44/73/37/664447337.db2.gz ONDWSIAXLPTSRO-BPKGMFCQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)N(C)C)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283084 664864269 /nfs/dbraw/zinc/86/42/69/664864269.db2.gz MPWHMIGVRWONLJ-RGCFKVTRSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(=O)N(C)C)C[C@]3(C)C2)CC[NH+]1C ZINC000982283084 664864272 /nfs/dbraw/zinc/86/42/72/664864272.db2.gz MPWHMIGVRWONLJ-RGCFKVTRSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)N(C)C)C[C@]3(C)C2)CC[NH+]1C ZINC000982283084 664864275 /nfs/dbraw/zinc/86/42/75/664864275.db2.gz MPWHMIGVRWONLJ-RGCFKVTRSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000983807135 664997707 /nfs/dbraw/zinc/99/77/07/664997707.db2.gz UGUOBLKGZVHKNA-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001029313831 665013908 /nfs/dbraw/zinc/01/39/08/665013908.db2.gz OJIGLHIWQMUDIG-BPKGMFCQSA-N 2 1 369.531 0.437 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960522097 674677645 /nfs/dbraw/zinc/67/76/45/674677645.db2.gz ATNJEHZDUKFSAA-WPEGABGTSA-N 2 1 350.488 0.717 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960522097 674677647 /nfs/dbraw/zinc/67/76/47/674677647.db2.gz ATNJEHZDUKFSAA-WPEGABGTSA-N 2 1 350.488 0.717 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960522097 674677648 /nfs/dbraw/zinc/67/76/48/674677648.db2.gz ATNJEHZDUKFSAA-WPEGABGTSA-N 2 1 350.488 0.717 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960522097 674677650 /nfs/dbraw/zinc/67/76/50/674677650.db2.gz ATNJEHZDUKFSAA-WPEGABGTSA-N 2 1 350.488 0.717 20 0 FCADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896234263 665076034 /nfs/dbraw/zinc/07/60/34/665076034.db2.gz HZKOUVBTTITZPZ-OAHLLOKOSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300257 665079880 /nfs/dbraw/zinc/07/98/80/665079880.db2.gz FVQRPCXOTQMQGL-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300257 665079883 /nfs/dbraw/zinc/07/98/83/665079883.db2.gz FVQRPCXOTQMQGL-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300257 665079886 /nfs/dbraw/zinc/07/98/86/665079886.db2.gz FVQRPCXOTQMQGL-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000896661678 665102001 /nfs/dbraw/zinc/10/20/01/665102001.db2.gz GLMCNYUOZCYTNM-AWEZNQCLSA-N 2 1 350.467 0.372 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cn1 ZINC000896661678 665102003 /nfs/dbraw/zinc/10/20/03/665102003.db2.gz GLMCNYUOZCYTNM-AWEZNQCLSA-N 2 1 350.467 0.372 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985160743 665137996 /nfs/dbraw/zinc/13/79/96/665137996.db2.gz KPKIKJGFSLIWBA-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)C(=O)OC)CC2)CC1 ZINC000909591293 665162438 /nfs/dbraw/zinc/16/24/38/665162438.db2.gz WIKPORVCCZQSHT-SFHVURJKSA-N 2 1 355.479 0.223 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000985442588 665167611 /nfs/dbraw/zinc/16/76/11/665167611.db2.gz PWCDBWQZJQSMIE-YUELXQCFSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985442588 665167613 /nfs/dbraw/zinc/16/76/13/665167613.db2.gz PWCDBWQZJQSMIE-YUELXQCFSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985442588 665167614 /nfs/dbraw/zinc/16/76/14/665167614.db2.gz PWCDBWQZJQSMIE-YUELXQCFSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC000985439700 665167653 /nfs/dbraw/zinc/16/76/53/665167653.db2.gz XHAVOQAVAQWAQP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCN3CCCC3=O)CC2)CC[NH+]1C ZINC000985439700 665167654 /nfs/dbraw/zinc/16/76/54/665167654.db2.gz XHAVOQAVAQWAQP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCN3CCCC3=O)CC2)CC[NH+]1C ZINC000985439700 665167655 /nfs/dbraw/zinc/16/76/55/665167655.db2.gz XHAVOQAVAQWAQP-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C[C@H](C)O1 ZINC000925275382 665290173 /nfs/dbraw/zinc/29/01/73/665290173.db2.gz RLVZFWWBYCULTH-OWCLPIDISA-N 2 1 352.479 0.892 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C[C@H](C)O1 ZINC000925275382 665290174 /nfs/dbraw/zinc/29/01/74/665290174.db2.gz RLVZFWWBYCULTH-OWCLPIDISA-N 2 1 352.479 0.892 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000897488215 665293767 /nfs/dbraw/zinc/29/37/67/665293767.db2.gz YBAUOSFUXSKPSW-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000897488215 665293769 /nfs/dbraw/zinc/29/37/69/665293769.db2.gz YBAUOSFUXSKPSW-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000897488215 665293770 /nfs/dbraw/zinc/29/37/70/665293770.db2.gz YBAUOSFUXSKPSW-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905090373 666004067 /nfs/dbraw/zinc/00/40/67/666004067.db2.gz SGFSOQZXAMCULN-IRXDYDNUSA-N 2 1 355.523 0.965 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905090373 666004069 /nfs/dbraw/zinc/00/40/69/666004069.db2.gz SGFSOQZXAMCULN-IRXDYDNUSA-N 2 1 355.523 0.965 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713900 666063425 /nfs/dbraw/zinc/06/34/25/666063425.db2.gz LNJFJLFNDUMJKW-ZWKOTPCHSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000906713900 666063426 /nfs/dbraw/zinc/06/34/26/666063426.db2.gz LNJFJLFNDUMJKW-ZWKOTPCHSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000906713900 666063428 /nfs/dbraw/zinc/06/34/28/666063428.db2.gz LNJFJLFNDUMJKW-ZWKOTPCHSA-N 2 1 352.523 0.631 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198648 666193484 /nfs/dbraw/zinc/19/34/84/666193484.db2.gz AXQJSVGOHNAGPU-ZWKOTPCHSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198648 666193485 /nfs/dbraw/zinc/19/34/85/666193485.db2.gz AXQJSVGOHNAGPU-ZWKOTPCHSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198648 666193487 /nfs/dbraw/zinc/19/34/87/666193487.db2.gz AXQJSVGOHNAGPU-ZWKOTPCHSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198645 666193489 /nfs/dbraw/zinc/19/34/89/666193489.db2.gz AXQJSVGOHNAGPU-MSOLQXFVSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198645 666193490 /nfs/dbraw/zinc/19/34/90/666193490.db2.gz AXQJSVGOHNAGPU-MSOLQXFVSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000908198645 666193491 /nfs/dbraw/zinc/19/34/91/666193491.db2.gz AXQJSVGOHNAGPU-MSOLQXFVSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000910894310 666289707 /nfs/dbraw/zinc/28/97/07/666289707.db2.gz ZHFDRGBZCHRXHT-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000910894310 666289708 /nfs/dbraw/zinc/28/97/08/666289708.db2.gz ZHFDRGBZCHRXHT-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000910894310 666289709 /nfs/dbraw/zinc/28/97/09/666289709.db2.gz ZHFDRGBZCHRXHT-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000910894310 666289710 /nfs/dbraw/zinc/28/97/10/666289710.db2.gz ZHFDRGBZCHRXHT-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000910894312 666289725 /nfs/dbraw/zinc/28/97/25/666289725.db2.gz ZHFDRGBZCHRXHT-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000910894312 666289726 /nfs/dbraw/zinc/28/97/26/666289726.db2.gz ZHFDRGBZCHRXHT-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000910894312 666289727 /nfs/dbraw/zinc/28/97/27/666289727.db2.gz ZHFDRGBZCHRXHT-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000910894312 666289729 /nfs/dbraw/zinc/28/97/29/666289729.db2.gz ZHFDRGBZCHRXHT-QFBILLFUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982070 666301831 /nfs/dbraw/zinc/30/18/31/666301831.db2.gz AFGFAHKSFXQTNK-HZPDHXFCSA-N 2 1 354.495 0.252 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000911529218 666362260 /nfs/dbraw/zinc/36/22/60/666362260.db2.gz AIQSXZJWODDLEN-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911562688 666364682 /nfs/dbraw/zinc/36/46/82/666364682.db2.gz LHLLPSTZZPQDFS-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@@]3(C)CO)CC2)CC1 ZINC000912658028 666465475 /nfs/dbraw/zinc/46/54/75/666465475.db2.gz NILFYIWEUIMKEO-MJGOQNOKSA-N 2 1 353.507 0.527 20 0 FCADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CCCC1 ZINC001031765900 666496028 /nfs/dbraw/zinc/49/60/28/666496028.db2.gz UAVAXVAQXHSCLY-ZTFGCOKTSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CCCC1 ZINC001031765900 666496031 /nfs/dbraw/zinc/49/60/31/666496031.db2.gz UAVAXVAQXHSCLY-ZTFGCOKTSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880544 666530813 /nfs/dbraw/zinc/53/08/13/666530813.db2.gz QOWDNFHCHWUKDY-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1 ZINC000940297025 666544910 /nfs/dbraw/zinc/54/49/10/666544910.db2.gz ABJFHHSYYOXXNT-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000171938620 666598052 /nfs/dbraw/zinc/59/80/52/666598052.db2.gz VITOACRGAMUVHT-KRWDZBQOSA-N 2 1 367.515 0.915 20 0 FCADMP CC[C@H](C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1)OC ZINC000941412805 666627079 /nfs/dbraw/zinc/62/70/79/666627079.db2.gz LVVAGXPZIXGWDS-KBAYOESNSA-N 2 1 352.523 0.580 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000992400825 666636129 /nfs/dbraw/zinc/63/61/29/666636129.db2.gz NXJBCGYCNDWBRC-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000992400825 666636131 /nfs/dbraw/zinc/63/61/31/666636131.db2.gz NXJBCGYCNDWBRC-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000992400825 666636132 /nfs/dbraw/zinc/63/61/32/666636132.db2.gz NXJBCGYCNDWBRC-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000996710449 666961764 /nfs/dbraw/zinc/96/17/64/666961764.db2.gz DTLCBQPUXMZWFI-BXUZGUMPSA-N 2 1 353.492 0.646 20 0 FCADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000996710449 666961767 /nfs/dbraw/zinc/96/17/67/666961767.db2.gz DTLCBQPUXMZWFI-BXUZGUMPSA-N 2 1 353.492 0.646 20 0 FCADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000996715994 666967474 /nfs/dbraw/zinc/96/74/74/666967474.db2.gz HSMBCZOECCNLRN-VNHYZAJKSA-N 2 1 350.467 0.176 20 0 FCADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000996715994 666967477 /nfs/dbraw/zinc/96/74/77/666967477.db2.gz HSMBCZOECCNLRN-VNHYZAJKSA-N 2 1 350.467 0.176 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000734487875 666968876 /nfs/dbraw/zinc/96/88/76/666968876.db2.gz YGLCYBJPKWKWGD-KRWDZBQOSA-N 2 1 366.531 0.588 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000734487875 666968879 /nfs/dbraw/zinc/96/88/79/666968879.db2.gz YGLCYBJPKWKWGD-KRWDZBQOSA-N 2 1 366.531 0.588 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997635712 667167748 /nfs/dbraw/zinc/16/77/48/667167748.db2.gz JAEJYJTYCIEART-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997635712 667167750 /nfs/dbraw/zinc/16/77/50/667167750.db2.gz JAEJYJTYCIEART-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000186397496 667205799 /nfs/dbraw/zinc/20/57/99/667205799.db2.gz WEPPYGYRIYKVKZ-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC000888379541 667229173 /nfs/dbraw/zinc/22/91/73/667229173.db2.gz ZFVIBAXXKKASRB-UHFFFAOYSA-N 2 1 367.475 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000999209219 667231842 /nfs/dbraw/zinc/23/18/42/667231842.db2.gz OXZAEGBTDLFCIY-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001031683899 667268152 /nfs/dbraw/zinc/26/81/52/667268152.db2.gz BLVDWKPFONUXGF-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000751452041 667467255 /nfs/dbraw/zinc/46/72/55/667467255.db2.gz YWJCMDLPKGSJHI-INIZCTEOSA-N 2 1 370.519 0.939 20 0 FCADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091055 667669852 /nfs/dbraw/zinc/66/98/52/667669852.db2.gz JTDJDHJNGGVGSJ-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033834088 667739180 /nfs/dbraw/zinc/73/91/80/667739180.db2.gz NMYFUWXMTZXJPL-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001033834088 667739186 /nfs/dbraw/zinc/73/91/86/667739186.db2.gz NMYFUWXMTZXJPL-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001033834088 667739189 /nfs/dbraw/zinc/73/91/89/667739189.db2.gz NMYFUWXMTZXJPL-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407763 667739930 /nfs/dbraw/zinc/73/99/30/667739930.db2.gz SVOKJHAIJARPLY-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001034647212 667762155 /nfs/dbraw/zinc/76/21/55/667762155.db2.gz AFJDKROGHDVRSN-RYPNDVFKSA-N 2 1 350.463 0.149 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923481827 667840099 /nfs/dbraw/zinc/84/00/99/667840099.db2.gz MKOSMOAKYOCZSP-KBPBESRZSA-N 2 1 350.438 0.790 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000946914269 667846015 /nfs/dbraw/zinc/84/60/15/667846015.db2.gz DKYWZFDQGVWJJD-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000946914269 667846017 /nfs/dbraw/zinc/84/60/17/667846017.db2.gz DKYWZFDQGVWJJD-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000946914269 667846018 /nfs/dbraw/zinc/84/60/18/667846018.db2.gz DKYWZFDQGVWJJD-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760497548 667851994 /nfs/dbraw/zinc/85/19/94/667851994.db2.gz UGUYSECBGIFYNY-INIZCTEOSA-N 2 1 367.563 0.441 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511554 668153981 /nfs/dbraw/zinc/15/39/81/668153981.db2.gz TUUAEAQOAWSZNZ-ZBFHGGJFSA-N 2 1 350.463 0.080 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511547 668154009 /nfs/dbraw/zinc/15/40/09/668154009.db2.gz TUUAEAQOAWSZNZ-GDBMZVCRSA-N 2 1 350.463 0.080 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCOC[C@H](C3CCC3)C1)C2=O ZINC000793743063 668947223 /nfs/dbraw/zinc/94/72/23/668947223.db2.gz OFCNDGAWAIHCIQ-OAHLLOKOSA-N 2 1 350.463 0.709 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCOC[C@H](C3CCC3)C1)C2=O ZINC000793743063 668947225 /nfs/dbraw/zinc/94/72/25/668947225.db2.gz OFCNDGAWAIHCIQ-OAHLLOKOSA-N 2 1 350.463 0.709 20 0 FCADMP COC(=O)[C@H]1[C@@H]2C[NH+](CCCCC[N@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794968803 669003469 /nfs/dbraw/zinc/00/34/69/669003469.db2.gz LFZOAICDZKGUOS-QIYORIJCSA-N 2 1 350.459 0.858 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000828054011 669612781 /nfs/dbraw/zinc/61/27/81/669612781.db2.gz MYCFUHHMZXWGJN-ZDUSSCGKSA-N 2 1 354.838 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810069415 669660798 /nfs/dbraw/zinc/66/07/98/669660798.db2.gz DIBHWFSYWQAKRX-ZDUSSCGKSA-N 2 1 364.412 0.541 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810069415 669660803 /nfs/dbraw/zinc/66/08/03/669660803.db2.gz DIBHWFSYWQAKRX-ZDUSSCGKSA-N 2 1 364.412 0.541 20 0 FCADMP CSC1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+](C)CC1 ZINC000811876805 669776732 /nfs/dbraw/zinc/77/67/32/669776732.db2.gz ZZVZHYXGRGVGRM-GJZGRUSLSA-N 2 1 356.536 0.976 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841166793 670538218 /nfs/dbraw/zinc/53/82/18/670538218.db2.gz UOFIQETYENZEMA-UHFFFAOYSA-N 2 1 353.854 0.366 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841183515 670539607 /nfs/dbraw/zinc/53/96/07/670539607.db2.gz QJZAHGGMBSSRSH-UHFFFAOYSA-N 2 1 367.881 0.838 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841256435 670544124 /nfs/dbraw/zinc/54/41/24/670544124.db2.gz IWFCCUQOHJBHBR-GFCCVEGCSA-N 2 1 367.881 0.884 20 0 FCADMP C[C@H]1CC2(C[N@H+]1CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CCOCC2 ZINC000842637845 670705958 /nfs/dbraw/zinc/70/59/58/670705958.db2.gz UAJVVBIXZUKXKW-AWEZNQCLSA-N 2 1 350.463 0.851 20 0 FCADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843349273 670803677 /nfs/dbraw/zinc/80/36/77/670803677.db2.gz QJXMSMGWQFWGMK-CYBMUJFWSA-N 2 1 351.451 0.204 20 0 FCADMP CCN(C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843364060 670807489 /nfs/dbraw/zinc/80/74/89/670807489.db2.gz NIFRBEXXFDAOMJ-CABCVRRESA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843364060 670807496 /nfs/dbraw/zinc/80/74/96/670807496.db2.gz NIFRBEXXFDAOMJ-CABCVRRESA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[NH+]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968112663 675184259 /nfs/dbraw/zinc/18/42/59/675184259.db2.gz CGXBIIOTSXPKQW-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968112663 675184261 /nfs/dbraw/zinc/18/42/61/675184261.db2.gz CGXBIIOTSXPKQW-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968112663 675184263 /nfs/dbraw/zinc/18/42/63/675184263.db2.gz CGXBIIOTSXPKQW-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849115684 671318852 /nfs/dbraw/zinc/31/88/52/671318852.db2.gz AXEYPQBXUNBLTP-INIZCTEOSA-N 2 1 353.511 0.466 20 0 FCADMP COCCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903719236 675963570 /nfs/dbraw/zinc/96/35/70/675963570.db2.gz WYQCAQXQBMUTAO-HZPDHXFCSA-N 2 1 360.520 0.671 20 0 FCADMP COCCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903719236 675963572 /nfs/dbraw/zinc/96/35/72/675963572.db2.gz WYQCAQXQBMUTAO-HZPDHXFCSA-N 2 1 360.520 0.671 20 0 FCADMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724409 675963999 /nfs/dbraw/zinc/96/39/99/675963999.db2.gz NFHIRKRSWJABHM-HOTGVXAUSA-N 2 1 359.536 0.939 20 0 FCADMP O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903914846 675982037 /nfs/dbraw/zinc/98/20/37/675982037.db2.gz LGUKSXVWAOYMFH-NEPJUHHUSA-N 2 1 360.384 0.703 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/CN1CCOCC1 ZINC000865088932 672225367 /nfs/dbraw/zinc/22/53/67/672225367.db2.gz KLPGXEGWKSRHNJ-IWHGQQBYSA-N 2 1 352.523 0.749 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)CC[N@@H+]1C ZINC001053260634 675992691 /nfs/dbraw/zinc/99/26/91/675992691.db2.gz IBZGMWNXQCJTRP-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)CC[N@H+]1C ZINC001053260634 675992692 /nfs/dbraw/zinc/99/26/92/675992692.db2.gz IBZGMWNXQCJTRP-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CC4CCOCC4)C3)C2)CC[N@H+]1C ZINC001053806507 675998566 /nfs/dbraw/zinc/99/85/66/675998566.db2.gz JZWIYQNIUJZBQP-HYVNUMGLSA-N 2 1 351.491 0.713 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868285524 672392204 /nfs/dbraw/zinc/39/22/04/672392204.db2.gz KDUUXBACSMJZHR-HOCLYGCPSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868285524 672392206 /nfs/dbraw/zinc/39/22/06/672392206.db2.gz KDUUXBACSMJZHR-HOCLYGCPSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@H](F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583409 676025302 /nfs/dbraw/zinc/02/53/02/676025302.db2.gz MPBDDKYIWQPSFQ-BMFZPTHFSA-N 2 1 356.486 0.772 20 0 FCADMP CS[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583664 676025345 /nfs/dbraw/zinc/02/53/45/676025345.db2.gz XLJUNMSAWJQKKD-IJEWVQPXSA-N 2 1 370.563 0.775 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001001418776 676071263 /nfs/dbraw/zinc/07/12/63/676071263.db2.gz MCHGXWWIDUKRRH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)s3)C2)CC[N@@H+]1C ZINC001051624786 676107096 /nfs/dbraw/zinc/10/70/96/676107096.db2.gz VGSFAQPAXKETDT-SOUVJXGZSA-N 2 1 367.519 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)s3)C2)CC[N@H+]1C ZINC001051624786 676107099 /nfs/dbraw/zinc/10/70/99/676107099.db2.gz VGSFAQPAXKETDT-SOUVJXGZSA-N 2 1 367.519 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nonc3C)C2)CC[N@@H+]1C ZINC001051624250 676107256 /nfs/dbraw/zinc/10/72/56/676107256.db2.gz OHAXVCDJBPMYQB-OFQRWUPVSA-N 2 1 351.451 0.425 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nonc3C)C2)CC[N@H+]1C ZINC001051624250 676107257 /nfs/dbraw/zinc/10/72/57/676107257.db2.gz OHAXVCDJBPMYQB-OFQRWUPVSA-N 2 1 351.451 0.425 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678487 676108332 /nfs/dbraw/zinc/10/83/32/676108332.db2.gz CFVNJTPREUCGLW-VHDGCEQUSA-N 2 1 368.503 0.488 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678487 676108335 /nfs/dbraw/zinc/10/83/35/676108335.db2.gz CFVNJTPREUCGLW-VHDGCEQUSA-N 2 1 368.503 0.488 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880210914 673181470 /nfs/dbraw/zinc/18/14/70/673181470.db2.gz XLRXTDBUSBDVLI-SJLPKXTDSA-N 2 1 352.523 0.772 20 0 FCADMP CCCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043393 676113742 /nfs/dbraw/zinc/11/37/42/676113742.db2.gz XEFBSEHXKSXUBJ-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043393 676113743 /nfs/dbraw/zinc/11/37/43/676113743.db2.gz XEFBSEHXKSXUBJ-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)s1 ZINC001051624016 676107241 /nfs/dbraw/zinc/10/72/41/676107241.db2.gz LVAZGXIJPCJVLR-HZSPNIEDSA-N 2 1 367.519 0.758 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)s1 ZINC001051624016 676107242 /nfs/dbraw/zinc/10/72/42/676107242.db2.gz LVAZGXIJPCJVLR-HZSPNIEDSA-N 2 1 367.519 0.758 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001052394856 676122845 /nfs/dbraw/zinc/12/28/45/676122845.db2.gz FVQAUUROISJHJF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC001052394856 676122848 /nfs/dbraw/zinc/12/28/48/676122848.db2.gz FVQAUUROISJHJF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC001052394856 676122851 /nfs/dbraw/zinc/12/28/51/676122851.db2.gz FVQAUUROISJHJF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC001052389513 676122972 /nfs/dbraw/zinc/12/29/72/676122972.db2.gz UQLUARPUBITTHO-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000883477467 673378440 /nfs/dbraw/zinc/37/84/40/673378440.db2.gz DQKVZBMDPDITNW-QGZVFWFLSA-N 2 1 368.503 0.570 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900752 673402047 /nfs/dbraw/zinc/40/20/47/673402047.db2.gz QBCCCZZTRXNYKY-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883900752 673402052 /nfs/dbraw/zinc/40/20/52/673402052.db2.gz QBCCCZZTRXNYKY-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883900752 673402054 /nfs/dbraw/zinc/40/20/54/673402054.db2.gz QBCCCZZTRXNYKY-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP COCC[C@@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000884306027 673445367 /nfs/dbraw/zinc/44/53/67/673445367.db2.gz QINSCRFGHPDDQV-QGZVFWFLSA-N 2 1 350.463 0.496 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884555659 673461925 /nfs/dbraw/zinc/46/19/25/673461925.db2.gz WXGPGCPFPJMENM-ZXYWRSMDSA-N 2 1 350.507 0.809 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560393 673462281 /nfs/dbraw/zinc/46/22/81/673462281.db2.gz WULPOIOTZSLCFG-GJZGRUSLSA-N 2 1 352.479 0.086 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884601295 673465068 /nfs/dbraw/zinc/46/50/68/673465068.db2.gz HEKBXQQNNHOZCE-SDDRHHMPSA-N 2 1 352.401 0.429 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000884626437 673467217 /nfs/dbraw/zinc/46/72/17/673467217.db2.gz LJUQRWUMLJJFKQ-VCBZYWHSSA-N 2 1 350.507 0.953 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000884631480 673468103 /nfs/dbraw/zinc/46/81/03/673468103.db2.gz LRKOBSNBOPMSBH-UPJWGTAASA-N 2 1 362.396 0.183 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884787603 673482327 /nfs/dbraw/zinc/48/23/27/673482327.db2.gz WYGZYJDIHMSZMC-NSHDSACASA-N 2 1 351.476 0.087 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC[C@@H]21 ZINC000884879729 673488259 /nfs/dbraw/zinc/48/82/59/673488259.db2.gz MFEPVVUYRMMMNY-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967444 673494115 /nfs/dbraw/zinc/49/41/15/673494115.db2.gz FSPJWFZDDVTOQW-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885009843 673497603 /nfs/dbraw/zinc/49/76/03/673497603.db2.gz DVYPPLBNGPPRAS-NXOAAHMSSA-N 2 1 350.507 0.727 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285764 673512198 /nfs/dbraw/zinc/51/21/98/673512198.db2.gz SSCXGTQYRHEEQV-UONOGXRCSA-N 2 1 360.449 0.538 20 0 FCADMP CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000886430460 673584199 /nfs/dbraw/zinc/58/41/99/673584199.db2.gz NIPSPZBQPPHULL-YJBOKZPZSA-N 2 1 357.495 0.795 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621799 673593622 /nfs/dbraw/zinc/59/36/22/673593622.db2.gz BNLJXBFAYASZQN-YQVWRLOYSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621799 673593626 /nfs/dbraw/zinc/59/36/26/673593626.db2.gz BNLJXBFAYASZQN-YQVWRLOYSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)C1 ZINC000886621799 673593629 /nfs/dbraw/zinc/59/36/29/673593629.db2.gz BNLJXBFAYASZQN-YQVWRLOYSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000886837163 673601717 /nfs/dbraw/zinc/60/17/17/673601717.db2.gz BYLMCNBTNZCOLE-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000886837163 673601719 /nfs/dbraw/zinc/60/17/19/673601719.db2.gz BYLMCNBTNZCOLE-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000886837163 673601720 /nfs/dbraw/zinc/60/17/20/673601720.db2.gz BYLMCNBTNZCOLE-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887080803 673620802 /nfs/dbraw/zinc/62/08/02/673620802.db2.gz FYVKGSOCKGELSK-LPHOPBHVSA-N 2 1 350.507 0.779 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[nH+]c1 ZINC000929464169 673957467 /nfs/dbraw/zinc/95/74/67/673957467.db2.gz CBGWNSQSXOZWJQ-QGZVFWFLSA-N 2 1 365.503 0.472 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001007377600 675288556 /nfs/dbraw/zinc/28/85/56/675288556.db2.gz WXWOKUXXHGRQLC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011209808 675376996 /nfs/dbraw/zinc/37/69/96/675376996.db2.gz RMTNFRWOECTARD-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011209808 675376999 /nfs/dbraw/zinc/37/69/99/675376999.db2.gz RMTNFRWOECTARD-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011209808 675377003 /nfs/dbraw/zinc/37/70/03/675377003.db2.gz RMTNFRWOECTARD-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019151696 675422054 /nfs/dbraw/zinc/42/20/54/675422054.db2.gz IDKPCWMSCGDHHO-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001020171116 675436118 /nfs/dbraw/zinc/43/61/18/675436118.db2.gz OHFGSCCBDFSZAY-QBPKDAKJSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001020171189 675436228 /nfs/dbraw/zinc/43/62/28/675436228.db2.gz RFSIDDSLKBFXJZ-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045090875 675650490 /nfs/dbraw/zinc/65/04/90/675650490.db2.gz JTROQEDMWWHJIB-IJEWVQPXSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045090875 675650493 /nfs/dbraw/zinc/65/04/93/675650493.db2.gz JTROQEDMWWHJIB-IJEWVQPXSA-N 2 1 350.467 0.098 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001045440952 675653724 /nfs/dbraw/zinc/65/37/24/675653724.db2.gz RMPKFWWQHUQNFC-JKSUJKDBSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001045440952 675653725 /nfs/dbraw/zinc/65/37/25/675653725.db2.gz RMPKFWWQHUQNFC-JKSUJKDBSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](C/C=C/Cl)C3)CC2)O1 ZINC001046038284 675682482 /nfs/dbraw/zinc/68/24/82/675682482.db2.gz JLARMPSVLPMDIA-HCGXZRIXSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](C/C=C/Cl)C3)CC2)O1 ZINC001046038284 675682483 /nfs/dbraw/zinc/68/24/83/675682483.db2.gz JLARMPSVLPMDIA-HCGXZRIXSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](C/C=C/Cl)C3)CC2)O1 ZINC001046038284 675682484 /nfs/dbraw/zinc/68/24/84/675682484.db2.gz JLARMPSVLPMDIA-HCGXZRIXSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](C/C=C/Cl)C3)CC2)O1 ZINC001046038284 675682485 /nfs/dbraw/zinc/68/24/85/675682485.db2.gz JLARMPSVLPMDIA-HCGXZRIXSA-N 2 1 370.925 0.677 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000900695247 675708505 /nfs/dbraw/zinc/70/85/05/675708505.db2.gz OJFKYCXGRXENHU-UHFFFAOYSA-N 2 1 350.511 0.448 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000900698318 675709021 /nfs/dbraw/zinc/70/90/21/675709021.db2.gz FVYFDJGXWADLIC-UHFFFAOYSA-N 2 1 353.555 0.546 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCCN(C)CC2)CC1 ZINC000900698318 675709022 /nfs/dbraw/zinc/70/90/22/675709022.db2.gz FVYFDJGXWADLIC-UHFFFAOYSA-N 2 1 353.555 0.546 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCCN(C)CC2)CC1 ZINC000900698318 675709025 /nfs/dbraw/zinc/70/90/25/675709025.db2.gz FVYFDJGXWADLIC-UHFFFAOYSA-N 2 1 353.555 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001047241282 675788509 /nfs/dbraw/zinc/78/85/09/675788509.db2.gz PGUNBCLBUDCAHK-HYVNUMGLSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC000801555534 675791332 /nfs/dbraw/zinc/79/13/32/675791332.db2.gz NQHMTQXGFUFJPX-UHFFFAOYSA-N 2 1 364.412 0.541 20 0 FCADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000801552049 675791441 /nfs/dbraw/zinc/79/14/41/675791441.db2.gz XJZSLRNMIWTUER-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000801552049 675791444 /nfs/dbraw/zinc/79/14/44/675791444.db2.gz XJZSLRNMIWTUER-HUUCEWRRSA-N 2 1 354.495 0.996 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001047384589 675795663 /nfs/dbraw/zinc/79/56/63/675795663.db2.gz BLSBGQNWVNAUFC-OJLVUWQFSA-N 2 1 350.463 0.635 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001047384589 675795667 /nfs/dbraw/zinc/79/56/67/675795667.db2.gz BLSBGQNWVNAUFC-OJLVUWQFSA-N 2 1 350.463 0.635 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001047384589 675795671 /nfs/dbraw/zinc/79/56/71/675795671.db2.gz BLSBGQNWVNAUFC-OJLVUWQFSA-N 2 1 350.463 0.635 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001047384589 675795676 /nfs/dbraw/zinc/79/56/76/675795676.db2.gz BLSBGQNWVNAUFC-OJLVUWQFSA-N 2 1 350.463 0.635 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000897497141 1192214023 /nfs/dbraw/zinc/21/40/23/1192214023.db2.gz VUMXMPQPXXEVIF-KBAYOESNSA-N 2 1 371.485 0.862 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000988496427 1192225716 /nfs/dbraw/zinc/22/57/16/1192225716.db2.gz ISWQUMBELFBAQV-PVAVHDDUSA-N 2 1 361.490 0.943 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001772503059 1167729414 /nfs/dbraw/zinc/72/94/14/1167729414.db2.gz PMUFSADORQZEOM-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC001772504235 1167875520 /nfs/dbraw/zinc/87/55/20/1167875520.db2.gz NFKNWDBCLLIDJT-ZWKOTPCHSA-N 2 1 370.497 0.930 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001020488436 1167915833 /nfs/dbraw/zinc/91/58/33/1167915833.db2.gz YVNSHPSMIIVSPA-JSRQGNBESA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001020488436 1167915839 /nfs/dbraw/zinc/91/58/39/1167915839.db2.gz YVNSHPSMIIVSPA-JSRQGNBESA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001020488436 1167915844 /nfs/dbraw/zinc/91/58/44/1167915844.db2.gz YVNSHPSMIIVSPA-JSRQGNBESA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001020488436 1167915856 /nfs/dbraw/zinc/91/58/56/1167915856.db2.gz YVNSHPSMIIVSPA-JSRQGNBESA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000988544547 1192272463 /nfs/dbraw/zinc/27/24/63/1192272463.db2.gz MXZYJTZUUHYFHL-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000988544547 1192272466 /nfs/dbraw/zinc/27/24/66/1192272466.db2.gz MXZYJTZUUHYFHL-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000988544547 1192272471 /nfs/dbraw/zinc/27/24/71/1192272471.db2.gz MXZYJTZUUHYFHL-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001020613432 1168160783 /nfs/dbraw/zinc/16/07/83/1168160783.db2.gz ZMAOJYXLFMGJKA-QQXKLLMISA-N 2 1 370.497 0.799 20 0 FCADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614210 1168161572 /nfs/dbraw/zinc/16/15/72/1168161572.db2.gz OJJXACCVBBKYMZ-VQHPVUNQSA-N 2 1 369.473 0.292 20 0 FCADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614210 1168161577 /nfs/dbraw/zinc/16/15/77/1168161577.db2.gz OJJXACCVBBKYMZ-VQHPVUNQSA-N 2 1 369.473 0.292 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001167095536 1168200150 /nfs/dbraw/zinc/20/01/50/1168200150.db2.gz CZEJRBSWKLLLMK-FGTMMUONSA-N 2 1 358.486 0.706 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000969956876 1168237481 /nfs/dbraw/zinc/23/74/81/1168237481.db2.gz AOAMANFOJZDPQX-SPYBWZPUSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC000969956876 1168237488 /nfs/dbraw/zinc/23/74/88/1168237488.db2.gz AOAMANFOJZDPQX-SPYBWZPUSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193674 1168275541 /nfs/dbraw/zinc/27/55/41/1168275541.db2.gz COEJATFJTXDKPN-AYOQOUSVSA-N 2 1 361.486 0.697 20 0 FCADMP COc1cc(NC(=O)CN2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC001648848898 1169030967 /nfs/dbraw/zinc/03/09/67/1169030967.db2.gz DEEHUMWNFZFDCF-UHFFFAOYSA-N 2 1 350.463 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCCC2)CC[N@@H+]1C ZINC001746233212 1192355822 /nfs/dbraw/zinc/35/58/22/1192355822.db2.gz QYKBGMYLBORRPI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCCC2)CC[N@H+]1C ZINC001746233212 1192355826 /nfs/dbraw/zinc/35/58/26/1192355826.db2.gz QYKBGMYLBORRPI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001746233212 1192355831 /nfs/dbraw/zinc/35/58/31/1192355831.db2.gz QYKBGMYLBORRPI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001746233212 1192355837 /nfs/dbraw/zinc/35/58/37/1192355837.db2.gz QYKBGMYLBORRPI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104294697 1169691080 /nfs/dbraw/zinc/69/10/80/1169691080.db2.gz XZRRNAPTIYTCLF-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)c1nccn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083210661 1169880838 /nfs/dbraw/zinc/88/08/38/1169880838.db2.gz MUVYWOJRQPKSFO-YESZJQIVSA-N 2 1 362.474 0.955 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083210661 1169880841 /nfs/dbraw/zinc/88/08/41/1169880841.db2.gz MUVYWOJRQPKSFO-YESZJQIVSA-N 2 1 362.474 0.955 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001021698576 1169893023 /nfs/dbraw/zinc/89/30/23/1169893023.db2.gz GVLWCSGYHVEMMF-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)C1 ZINC001021699318 1169894451 /nfs/dbraw/zinc/89/44/51/1169894451.db2.gz OSZMEJSBJMFKAO-GVDBMIGSSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104345689 1170127468 /nfs/dbraw/zinc/12/74/68/1170127468.db2.gz OZXAIJQWVVDFQW-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104345689 1170127477 /nfs/dbraw/zinc/12/74/77/1170127477.db2.gz OZXAIJQWVVDFQW-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375074 1170158941 /nfs/dbraw/zinc/15/89/41/1170158941.db2.gz NBCKSQCANRCDNC-GCSSGZNBSA-N 2 1 363.462 0.190 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC001022035386 1170445151 /nfs/dbraw/zinc/44/51/51/1170445151.db2.gz KWZOJZWJYLEKDO-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001022097717 1170640540 /nfs/dbraw/zinc/64/05/40/1170640540.db2.gz AOTKFHDVVPBZNV-WTTBNOFXSA-N 2 1 363.462 0.553 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104375506 1170742836 /nfs/dbraw/zinc/74/28/36/1170742836.db2.gz PKIVTZLJRLYHDZ-MGPQQGTHSA-N 2 1 365.478 0.559 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CC[N@H+]1C ZINC001022216954 1170765610 /nfs/dbraw/zinc/76/56/10/1170765610.db2.gz CWLUTWCCVDTVFJ-YYIAUSFCSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001022275202 1170824373 /nfs/dbraw/zinc/82/43/73/1170824373.db2.gz IRABFPZHDURCKB-RBGFHDKUSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)O1 ZINC001022275202 1170824375 /nfs/dbraw/zinc/82/43/75/1170824375.db2.gz IRABFPZHDURCKB-RBGFHDKUSA-N 2 1 366.506 0.342 20 0 FCADMP COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC001022274972 1170824413 /nfs/dbraw/zinc/82/44/13/1170824413.db2.gz GGPONGFVROQEKY-NFFDBFGFSA-N 2 1 365.430 0.104 20 0 FCADMP COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC001022274972 1170824416 /nfs/dbraw/zinc/82/44/16/1170824416.db2.gz GGPONGFVROQEKY-NFFDBFGFSA-N 2 1 365.430 0.104 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@@H](C)O1 ZINC000891728721 1170837267 /nfs/dbraw/zinc/83/72/67/1170837267.db2.gz OKCIWMRVQJNOMJ-TVFCKZIOSA-N 2 1 368.522 0.726 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CCC(=O)NC1=O ZINC001691181038 1170851512 /nfs/dbraw/zinc/85/15/12/1170851512.db2.gz OHGKUZSHXSTQQG-ZNMIVQPWSA-N 2 1 352.479 0.350 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H]1CCC(=O)NC1=O ZINC001691181038 1170851513 /nfs/dbraw/zinc/85/15/13/1170851513.db2.gz OHGKUZSHXSTQQG-ZNMIVQPWSA-N 2 1 352.479 0.350 20 0 FCADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@H]1CCC(=O)NC1=O ZINC001691181038 1170851514 /nfs/dbraw/zinc/85/15/14/1170851514.db2.gz OHGKUZSHXSTQQG-ZNMIVQPWSA-N 2 1 352.479 0.350 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001691217056 1170862712 /nfs/dbraw/zinc/86/27/12/1170862712.db2.gz UZSQQTDFOYBQLH-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001691217056 1170862713 /nfs/dbraw/zinc/86/27/13/1170862713.db2.gz UZSQQTDFOYBQLH-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP Cc1cncn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001022427577 1171055410 /nfs/dbraw/zinc/05/54/10/1171055410.db2.gz YXDYIPDTQGHTNV-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022427577 1171055422 /nfs/dbraw/zinc/05/54/22/1171055422.db2.gz YXDYIPDTQGHTNV-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001022427577 1171055430 /nfs/dbraw/zinc/05/54/30/1171055430.db2.gz YXDYIPDTQGHTNV-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691314124 1171074788 /nfs/dbraw/zinc/07/47/88/1171074788.db2.gz HKZRPKVLJITBHN-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000891930010 1171090702 /nfs/dbraw/zinc/09/07/02/1171090702.db2.gz UKSBSGUVMIJERU-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000891930010 1171090717 /nfs/dbraw/zinc/09/07/17/1171090717.db2.gz UKSBSGUVMIJERU-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001691324878 1171099161 /nfs/dbraw/zinc/09/91/61/1171099161.db2.gz ZDLZFDXPRIIHRS-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1OCC ZINC001691338182 1171144957 /nfs/dbraw/zinc/14/49/57/1171144957.db2.gz YBYJICRKZHCIAB-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691382405 1171242781 /nfs/dbraw/zinc/24/27/81/1171242781.db2.gz SOIQQCVYKLQPDN-IKGGRYGDSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@]1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060898 1171540601 /nfs/dbraw/zinc/54/06/01/1171540601.db2.gz VNMHOLXDLLZAMS-PKOBYXMFSA-N 2 1 367.538 0.472 20 0 FCADMP C[C@]1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060895 1171540747 /nfs/dbraw/zinc/54/07/47/1171540747.db2.gz VNMHOLXDLLZAMS-HKUYNNGSSA-N 2 1 367.538 0.472 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456129 1192480949 /nfs/dbraw/zinc/48/09/49/1192480949.db2.gz HUVVUPCMVDBBRV-OAGGEKHMSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456129 1192480955 /nfs/dbraw/zinc/48/09/55/1192480955.db2.gz HUVVUPCMVDBBRV-OAGGEKHMSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456129 1192480959 /nfs/dbraw/zinc/48/09/59/1192480959.db2.gz HUVVUPCMVDBBRV-OAGGEKHMSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456129 1192480962 /nfs/dbraw/zinc/48/09/62/1192480962.db2.gz HUVVUPCMVDBBRV-OAGGEKHMSA-N 2 1 365.478 0.345 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022718200 1171807582 /nfs/dbraw/zinc/80/75/82/1171807582.db2.gz SNZVOERKFUGXBP-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CCn4ccnc4)C[C@H]32)C1 ZINC001022723764 1171817644 /nfs/dbraw/zinc/81/76/44/1171817644.db2.gz FKQDKZGAUAWMHK-YESZJQIVSA-N 2 1 359.474 0.674 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)c1nnnn1C ZINC001087208795 1171823933 /nfs/dbraw/zinc/82/39/33/1171823933.db2.gz WSHQCLHXJFADDN-YCPHGPKFSA-N 2 1 363.510 0.830 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)C[C@H]32)C1 ZINC000972239089 1171878587 /nfs/dbraw/zinc/87/85/87/1171878587.db2.gz YSISKFZNLJHSKN-UWWQBHOKSA-N 2 1 367.453 0.959 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000972256719 1171891328 /nfs/dbraw/zinc/89/13/28/1171891328.db2.gz AQFVTKJFAZGNAK-MWQQHZPXSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000972256719 1171891329 /nfs/dbraw/zinc/89/13/29/1171891329.db2.gz AQFVTKJFAZGNAK-MWQQHZPXSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1ccc(CN2CCO[C@H](CNC(=O)NC[C@H]3COCCN3)C2)cc1 ZINC000892289955 1172022921 /nfs/dbraw/zinc/02/29/21/1172022921.db2.gz PBZCIXTZSCDQMD-ZWKOTPCHSA-N 2 1 362.474 0.483 20 0 FCADMP C[N@@H+]1CCN(C(=O)c2ccc(NC(N)=[NH2+])cc2)C[C@]2(CCCC(=O)N2)C1 ZINC001272134557 1192572368 /nfs/dbraw/zinc/57/23/68/1192572368.db2.gz LGLQTHFCARHCMJ-SFHVURJKSA-N 2 1 358.446 0.418 20 0 FCADMP C[N@H+]1CCN(C(=O)c2ccc(NC(N)=[NH2+])cc2)C[C@]2(CCCC(=O)N2)C1 ZINC001272134557 1192572373 /nfs/dbraw/zinc/57/23/73/1192572373.db2.gz LGLQTHFCARHCMJ-SFHVURJKSA-N 2 1 358.446 0.418 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C2)C1 ZINC001272134570 1192572679 /nfs/dbraw/zinc/57/26/79/1192572679.db2.gz LLVQUFUERFBOLU-UHFFFAOYSA-N 2 1 358.446 0.228 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCN1CCNC1=O ZINC001088620801 1192681666 /nfs/dbraw/zinc/68/16/66/1192681666.db2.gz BXPSRYSLTLILTF-QLFBSQMISA-N 2 1 360.462 0.365 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCN1CCNC1=O ZINC001088620801 1192681670 /nfs/dbraw/zinc/68/16/70/1192681670.db2.gz BXPSRYSLTLILTF-QLFBSQMISA-N 2 1 360.462 0.365 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989287421 1192789190 /nfs/dbraw/zinc/78/91/90/1192789190.db2.gz BYVZJWJYWATGJH-YYIAUSFCSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989287421 1192789194 /nfs/dbraw/zinc/78/91/94/1192789194.db2.gz BYVZJWJYWATGJH-YYIAUSFCSA-N 2 1 368.522 0.399 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897956212 1192852726 /nfs/dbraw/zinc/85/27/26/1192852726.db2.gz JXJFTSXTBNOGST-UHFFFAOYSA-N 2 1 367.490 0.095 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842035249 1192861171 /nfs/dbraw/zinc/86/11/71/1192861171.db2.gz JJBJIKCCVZDSCA-CZUORRHYSA-N 2 1 370.457 0.635 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)CC1 ZINC001691570296 1192886872 /nfs/dbraw/zinc/88/68/72/1192886872.db2.gz ALQXBZXKUITMOD-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001691578652 1192891419 /nfs/dbraw/zinc/89/14/19/1192891419.db2.gz HOYLDCSSQZGMTI-CVEARBPZSA-N 2 1 369.531 0.297 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000126528268 1178950136 /nfs/dbraw/zinc/95/01/36/1178950136.db2.gz YTKHTUMUIXNCHA-HZMVEIRTSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC1=O ZINC000126528268 1178950153 /nfs/dbraw/zinc/95/01/53/1178950153.db2.gz YTKHTUMUIXNCHA-HZMVEIRTSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000126528268 1178950178 /nfs/dbraw/zinc/95/01/78/1178950178.db2.gz YTKHTUMUIXNCHA-HZMVEIRTSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000126528268 1178950195 /nfs/dbraw/zinc/95/01/95/1178950195.db2.gz YTKHTUMUIXNCHA-HZMVEIRTSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023372024 1179485704 /nfs/dbraw/zinc/48/57/04/1179485704.db2.gz LCESBGZSSUQYLA-SOUVJXGZSA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023372024 1179485715 /nfs/dbraw/zinc/48/57/15/1179485715.db2.gz LCESBGZSSUQYLA-SOUVJXGZSA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023372024 1179485740 /nfs/dbraw/zinc/48/57/40/1179485740.db2.gz LCESBGZSSUQYLA-SOUVJXGZSA-N 2 1 364.494 0.167 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001023372024 1179485762 /nfs/dbraw/zinc/48/57/62/1179485762.db2.gz LCESBGZSSUQYLA-SOUVJXGZSA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001023381465 1179512560 /nfs/dbraw/zinc/51/25/60/1179512560.db2.gz OEYXSYAFUBMCOE-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001023381465 1179512578 /nfs/dbraw/zinc/51/25/78/1179512578.db2.gz OEYXSYAFUBMCOE-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001023381465 1179512592 /nfs/dbraw/zinc/51/25/92/1179512592.db2.gz OEYXSYAFUBMCOE-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)n2)C1 ZINC001087248233 1180009941 /nfs/dbraw/zinc/00/99/41/1180009941.db2.gz UUWVIQVJFPFCER-HYVNUMGLSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC(C)C ZINC001691478050 1180181549 /nfs/dbraw/zinc/18/15/49/1180181549.db2.gz PNFBSILMVQPHLF-YESZJQIVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC(C)C ZINC001691478050 1180181559 /nfs/dbraw/zinc/18/15/59/1180181559.db2.gz PNFBSILMVQPHLF-YESZJQIVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[nH]2)CC[N@H+]1C ZINC001087257525 1180337691 /nfs/dbraw/zinc/33/76/91/1180337691.db2.gz XHNOSHGLVXHYFT-VNHYZAJKSA-N 2 1 363.462 0.265 20 0 FCADMP [NH3+][C@@H](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000892409756 1180580845 /nfs/dbraw/zinc/58/08/45/1180580845.db2.gz BHCIEQOPNZYYJE-ZWKOTPCHSA-N 2 1 373.501 0.552 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024037829 1180805251 /nfs/dbraw/zinc/80/52/51/1180805251.db2.gz BXOOSAZKVHHGLF-UWWQBHOKSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024037829 1180805255 /nfs/dbraw/zinc/80/52/55/1180805255.db2.gz BXOOSAZKVHHGLF-UWWQBHOKSA-N 2 1 363.506 0.776 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024155470 1180911111 /nfs/dbraw/zinc/91/11/11/1180911111.db2.gz RLWWAHBVCGLAJV-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001024492658 1181240560 /nfs/dbraw/zinc/24/05/60/1181240560.db2.gz IYLJFUCPHNIJIG-CSMYWGQOSA-N 2 1 371.441 0.349 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCc2ccnn2C)O1 ZINC001024507268 1181263258 /nfs/dbraw/zinc/26/32/58/1181263258.db2.gz VHOQBDUHUXOIMH-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCc2ccnn2C)O1 ZINC001024507268 1181263262 /nfs/dbraw/zinc/26/32/62/1181263262.db2.gz VHOQBDUHUXOIMH-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCc2ccnn2C)O1 ZINC001024507268 1181263271 /nfs/dbraw/zinc/26/32/71/1181263271.db2.gz VHOQBDUHUXOIMH-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCc2ccnn2C)O1 ZINC001024507268 1181263274 /nfs/dbraw/zinc/26/32/74/1181263274.db2.gz VHOQBDUHUXOIMH-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024861913 1181701383 /nfs/dbraw/zinc/70/13/83/1181701383.db2.gz MEEZRXMCBBLVJL-IXDOHACOSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545366 1181852726 /nfs/dbraw/zinc/85/27/26/1181852726.db2.gz VLUVTUADILFCBJ-PKOBYXMFSA-N 3 1 372.517 0.939 20 0 FCADMP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545366 1181852732 /nfs/dbraw/zinc/85/27/32/1181852732.db2.gz VLUVTUADILFCBJ-PKOBYXMFSA-N 2 1 372.517 0.939 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000892545366 1181852734 /nfs/dbraw/zinc/85/27/34/1181852734.db2.gz VLUVTUADILFCBJ-PKOBYXMFSA-N 2 1 372.517 0.939 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994080 1181862325 /nfs/dbraw/zinc/86/23/25/1181862325.db2.gz GOFJKAHVPOVKJC-IAGOWNOFSA-N 2 1 359.474 0.593 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000892650818 1182003777 /nfs/dbraw/zinc/00/37/77/1182003777.db2.gz QZBWYAUQXIGXDX-IKGGRYGDSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000892650818 1182003779 /nfs/dbraw/zinc/00/37/79/1182003779.db2.gz QZBWYAUQXIGXDX-IKGGRYGDSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000892650818 1182003785 /nfs/dbraw/zinc/00/37/85/1182003785.db2.gz QZBWYAUQXIGXDX-IKGGRYGDSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279434 1182059465 /nfs/dbraw/zinc/05/94/65/1182059465.db2.gz ZQBJFEJKCHYKCR-RCCFBDPRSA-N 2 1 367.490 0.045 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279434 1182059474 /nfs/dbraw/zinc/05/94/74/1182059474.db2.gz ZQBJFEJKCHYKCR-RCCFBDPRSA-N 2 1 367.490 0.045 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279434 1182059483 /nfs/dbraw/zinc/05/94/83/1182059483.db2.gz ZQBJFEJKCHYKCR-RCCFBDPRSA-N 2 1 367.490 0.045 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279434 1182059489 /nfs/dbraw/zinc/05/94/89/1182059489.db2.gz ZQBJFEJKCHYKCR-RCCFBDPRSA-N 2 1 367.490 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000973333674 1182244627 /nfs/dbraw/zinc/24/46/27/1182244627.db2.gz JTKPAWIXVFVYTI-SMLCLMEVSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000973333674 1182244634 /nfs/dbraw/zinc/24/46/34/1182244634.db2.gz JTKPAWIXVFVYTI-SMLCLMEVSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000973333674 1182244641 /nfs/dbraw/zinc/24/46/41/1182244641.db2.gz JTKPAWIXVFVYTI-SMLCLMEVSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000973333674 1182244645 /nfs/dbraw/zinc/24/46/45/1182244645.db2.gz JTKPAWIXVFVYTI-SMLCLMEVSA-N 2 1 366.506 0.201 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595679 1182259508 /nfs/dbraw/zinc/25/95/08/1182259508.db2.gz YGDDVFXFJXBGHB-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000892766445 1182484826 /nfs/dbraw/zinc/48/48/26/1182484826.db2.gz LEJKJNWRONHFME-HOTGVXAUSA-N 2 1 368.522 0.632 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777468 1182498158 /nfs/dbraw/zinc/49/81/58/1182498158.db2.gz JVFMNUCTFSGWEE-KRWDZBQOSA-N 2 1 368.522 0.633 20 0 FCADMP CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+](C)CC1 ZINC000892837032 1182537448 /nfs/dbraw/zinc/53/74/48/1182537448.db2.gz UTNITXSBLLYXQK-UHFFFAOYSA-N 2 1 367.538 0.520 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000892937620 1182643691 /nfs/dbraw/zinc/64/36/91/1182643691.db2.gz FJEJQFAUVWEMNA-UHFFFAOYSA-N 2 1 365.522 0.855 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794762 1182924094 /nfs/dbraw/zinc/92/40/94/1182924094.db2.gz FYOBZXLIBZRLES-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104938282 1183011612 /nfs/dbraw/zinc/01/16/12/1183011612.db2.gz RSXYPJODKRIRLB-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CN(CC)CCO3)C2)CC[N@H+]1C ZINC000974190831 1183042141 /nfs/dbraw/zinc/04/21/41/1183042141.db2.gz JTKPAWIXVFVYTI-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000974190831 1183042144 /nfs/dbraw/zinc/04/21/44/1183042144.db2.gz JTKPAWIXVFVYTI-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000974190831 1183042149 /nfs/dbraw/zinc/04/21/49/1183042149.db2.gz JTKPAWIXVFVYTI-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000974190831 1183042155 /nfs/dbraw/zinc/04/21/55/1183042155.db2.gz JTKPAWIXVFVYTI-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000974190831 1183042160 /nfs/dbraw/zinc/04/21/60/1183042160.db2.gz JTKPAWIXVFVYTI-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000974270974 1183079022 /nfs/dbraw/zinc/07/90/22/1183079022.db2.gz BLCXSSNTWUUZCY-LXTVHRRPSA-N 2 1 357.458 0.905 20 0 FCADMP CCn1ncc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001026514988 1183146037 /nfs/dbraw/zinc/14/60/37/1183146037.db2.gz YLMPYKVLSDGLSM-ARAOSMHQSA-N 2 1 364.494 0.534 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974443070 1183212107 /nfs/dbraw/zinc/21/21/07/1183212107.db2.gz GLKOKTRWESPOPN-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974443070 1183212114 /nfs/dbraw/zinc/21/21/14/1183212114.db2.gz GLKOKTRWESPOPN-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578244 1183349794 /nfs/dbraw/zinc/34/97/94/1183349794.db2.gz XRSOTTVDHMGNRL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578244 1183349801 /nfs/dbraw/zinc/34/98/01/1183349801.db2.gz XRSOTTVDHMGNRL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578244 1183349805 /nfs/dbraw/zinc/34/98/05/1183349805.db2.gz XRSOTTVDHMGNRL-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974587611 1183354330 /nfs/dbraw/zinc/35/43/30/1183354330.db2.gz AJWYQGQZPUROHN-IIDMSEBBSA-N 2 1 371.485 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cn(CC4CC4)nn3)C2)CC[N@H+]1C ZINC001026851263 1183411733 /nfs/dbraw/zinc/41/17/33/1183411733.db2.gz AVWAGVYQEKOWAY-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001026916095 1183490661 /nfs/dbraw/zinc/49/06/61/1183490661.db2.gz AIWMQSHLKNGQLB-MGPQQGTHSA-N 2 1 371.432 0.935 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001026916095 1183490670 /nfs/dbraw/zinc/49/06/70/1183490670.db2.gz AIWMQSHLKNGQLB-MGPQQGTHSA-N 2 1 371.432 0.935 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975216313 1183780245 /nfs/dbraw/zinc/78/02/45/1183780245.db2.gz QDDULAOGPAZZBQ-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975216313 1183780246 /nfs/dbraw/zinc/78/02/46/1183780246.db2.gz QDDULAOGPAZZBQ-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975216313 1183780247 /nfs/dbraw/zinc/78/02/47/1183780247.db2.gz QDDULAOGPAZZBQ-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975308405 1183821539 /nfs/dbraw/zinc/82/15/39/1183821539.db2.gz KXTFTEITCHGWEV-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000975308405 1183821544 /nfs/dbraw/zinc/82/15/44/1183821544.db2.gz KXTFTEITCHGWEV-IXDOHACOSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)[NH+](C)C ZINC000975781779 1185770938 /nfs/dbraw/zinc/77/09/38/1185770938.db2.gz HIJIOCGOUMUVHJ-BBWFWOEESA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978692528 1185990673 /nfs/dbraw/zinc/99/06/73/1185990673.db2.gz YUQXZDYGOBMNPM-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978692528 1185990683 /nfs/dbraw/zinc/99/06/83/1185990683.db2.gz YUQXZDYGOBMNPM-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978692528 1185990693 /nfs/dbraw/zinc/99/06/93/1185990693.db2.gz YUQXZDYGOBMNPM-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978692528 1185990707 /nfs/dbraw/zinc/99/07/07/1185990707.db2.gz YUQXZDYGOBMNPM-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000978879999 1186024259 /nfs/dbraw/zinc/02/42/59/1186024259.db2.gz IOCXIIZUPQGPKD-VVLHAWIVSA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000978879999 1186024264 /nfs/dbraw/zinc/02/42/64/1186024264.db2.gz IOCXIIZUPQGPKD-VVLHAWIVSA-N 2 1 361.490 0.933 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000979002279 1186044806 /nfs/dbraw/zinc/04/48/06/1186044806.db2.gz JWRFNPOISPHDIQ-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000979002279 1186044810 /nfs/dbraw/zinc/04/48/10/1186044810.db2.gz JWRFNPOISPHDIQ-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000979002279 1186044819 /nfs/dbraw/zinc/04/48/19/1186044819.db2.gz JWRFNPOISPHDIQ-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000979002279 1186044825 /nfs/dbraw/zinc/04/48/25/1186044825.db2.gz JWRFNPOISPHDIQ-NQNKBUKLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001027891669 1186196449 /nfs/dbraw/zinc/19/64/49/1186196449.db2.gz DXXNCUJHJOWYEN-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001027891669 1186196453 /nfs/dbraw/zinc/19/64/53/1186196453.db2.gz DXXNCUJHJOWYEN-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001027891669 1186196458 /nfs/dbraw/zinc/19/64/58/1186196458.db2.gz DXXNCUJHJOWYEN-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001027891669 1186196460 /nfs/dbraw/zinc/19/64/60/1186196460.db2.gz DXXNCUJHJOWYEN-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP COc1ccnc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001027966805 1186241432 /nfs/dbraw/zinc/24/14/32/1186241432.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001027966805 1186241441 /nfs/dbraw/zinc/24/14/41/1186241441.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cncc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027966345 1186241609 /nfs/dbraw/zinc/24/16/09/1186241609.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP COc1cncc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027966345 1186241614 /nfs/dbraw/zinc/24/16/14/1186241614.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP CCn1nnc(C)c1CN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966427 1186241841 /nfs/dbraw/zinc/24/18/41/1186241841.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 1 364.494 0.406 20 0 FCADMP CCn1nnc(C)c1CN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966427 1186241847 /nfs/dbraw/zinc/24/18/47/1186241847.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 1 364.494 0.406 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCN3CCCC3=O)CC2)O1 ZINC000981439383 1186419751 /nfs/dbraw/zinc/41/97/51/1186419751.db2.gz DHNQUOMLDCWIMN-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCN3CCCC3=O)CC2)O1 ZINC000981439383 1186419752 /nfs/dbraw/zinc/41/97/52/1186419752.db2.gz DHNQUOMLDCWIMN-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCCN3CCCC3=O)CC2)O1 ZINC000981439383 1186419755 /nfs/dbraw/zinc/41/97/55/1186419755.db2.gz DHNQUOMLDCWIMN-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCCN3CCCC3=O)CC2)O1 ZINC000981439383 1186419758 /nfs/dbraw/zinc/41/97/58/1186419758.db2.gz DHNQUOMLDCWIMN-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](CCn2cccn2)C3)O1 ZINC000981841426 1186541731 /nfs/dbraw/zinc/54/17/31/1186541731.db2.gz CDPPFQCQUAKMLK-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](CCn2cccn2)C3)O1 ZINC000981841426 1186541735 /nfs/dbraw/zinc/54/17/35/1186541735.db2.gz CDPPFQCQUAKMLK-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCn2cccn2)C3)O1 ZINC000981841426 1186541739 /nfs/dbraw/zinc/54/17/39/1186541739.db2.gz CDPPFQCQUAKMLK-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCn2cccn2)C3)O1 ZINC000981841426 1186541742 /nfs/dbraw/zinc/54/17/42/1186541742.db2.gz CDPPFQCQUAKMLK-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211703005 1186597275 /nfs/dbraw/zinc/59/72/75/1186597275.db2.gz PGGPSKCKWHXGKO-RCCFBDPRSA-N 2 1 358.486 0.801 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cn1 ZINC000893871303 1187519944 /nfs/dbraw/zinc/51/99/44/1187519944.db2.gz JJKVTRLNZOXNGK-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)nc1 ZINC000893871303 1187519946 /nfs/dbraw/zinc/51/99/46/1187519946.db2.gz JJKVTRLNZOXNGK-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)nc1 ZINC000893871303 1187519948 /nfs/dbraw/zinc/51/99/48/1187519948.db2.gz JJKVTRLNZOXNGK-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000937168819 1187569837 /nfs/dbraw/zinc/56/98/37/1187569837.db2.gz OJPGYABSHTYUFA-LAVFITLUSA-N 2 1 362.518 0.870 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629423 1187758799 /nfs/dbraw/zinc/75/87/99/1187758799.db2.gz LUWRIBJZWRUUSD-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629423 1187758803 /nfs/dbraw/zinc/75/88/03/1187758803.db2.gz LUWRIBJZWRUUSD-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629423 1187758807 /nfs/dbraw/zinc/75/88/07/1187758807.db2.gz LUWRIBJZWRUUSD-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629423 1187758809 /nfs/dbraw/zinc/75/88/09/1187758809.db2.gz LUWRIBJZWRUUSD-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000982869544 1187768017 /nfs/dbraw/zinc/76/80/17/1187768017.db2.gz BCOGSVRHHDBXRQ-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000982869544 1187768020 /nfs/dbraw/zinc/76/80/20/1187768020.db2.gz BCOGSVRHHDBXRQ-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000894255723 1187815368 /nfs/dbraw/zinc/81/53/68/1187815368.db2.gz IGPOGXCYGBBBAF-QGZVFWFLSA-N 2 1 368.522 0.849 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H]3CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]3CC2)n(C)n1 ZINC001269992284 1187961454 /nfs/dbraw/zinc/96/14/54/1187961454.db2.gz FFGOYXWXXWNPOX-GASCZTMLSA-N 2 1 361.494 0.224 20 0 FCADMP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030738 1188212832 /nfs/dbraw/zinc/21/28/32/1188212832.db2.gz MQWNRXLZXPHMRD-YJBOKZPZSA-N 2 1 374.485 0.767 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033758 1188212936 /nfs/dbraw/zinc/21/29/36/1188212936.db2.gz HLACFYDTXWFAIX-IEBWSBKVSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983809989 1188349242 /nfs/dbraw/zinc/34/92/42/1188349242.db2.gz XIVDIWRIOCSYHV-IKGGRYGDSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075784995 1188358211 /nfs/dbraw/zinc/35/82/11/1188358211.db2.gz NTXOUEFDDMTRNL-YESZJQIVSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075784995 1188358216 /nfs/dbraw/zinc/35/82/16/1188358216.db2.gz NTXOUEFDDMTRNL-YESZJQIVSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075784995 1188358219 /nfs/dbraw/zinc/35/82/19/1188358219.db2.gz NTXOUEFDDMTRNL-YESZJQIVSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984012288 1189370682 /nfs/dbraw/zinc/37/06/82/1189370682.db2.gz FFYDFVHVODUKQJ-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC000984012288 1189370689 /nfs/dbraw/zinc/37/06/89/1189370689.db2.gz FFYDFVHVODUKQJ-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCN1CCCC1=O ZINC001087530373 1189392910 /nfs/dbraw/zinc/39/29/10/1189392910.db2.gz XDUFTBMKWJVVMD-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCN1CCCC1=O ZINC001087530373 1189392915 /nfs/dbraw/zinc/39/29/15/1189392915.db2.gz XDUFTBMKWJVVMD-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCN1CCCC1=O ZINC001087530373 1189392920 /nfs/dbraw/zinc/39/29/20/1189392920.db2.gz XDUFTBMKWJVVMD-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCN1CCCC1=O ZINC001087530373 1189392926 /nfs/dbraw/zinc/39/29/26/1189392926.db2.gz XDUFTBMKWJVVMD-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550455407 1189488092 /nfs/dbraw/zinc/48/80/92/1189488092.db2.gz KIVRJRYSGSASKH-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550455407 1189488112 /nfs/dbraw/zinc/48/81/12/1189488112.db2.gz KIVRJRYSGSASKH-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550455407 1189488128 /nfs/dbraw/zinc/48/81/28/1189488128.db2.gz KIVRJRYSGSASKH-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000984263293 1189744772 /nfs/dbraw/zinc/74/47/72/1189744772.db2.gz XXJCTKOBVPIYFN-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908792 1189893652 /nfs/dbraw/zinc/89/36/52/1189893652.db2.gz NLFYLHMFBIOJSA-FGTMMUONSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908792 1189893657 /nfs/dbraw/zinc/89/36/57/1189893657.db2.gz NLFYLHMFBIOJSA-FGTMMUONSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908792 1189893660 /nfs/dbraw/zinc/89/36/60/1189893660.db2.gz NLFYLHMFBIOJSA-FGTMMUONSA-N 2 1 360.506 0.769 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908939 1189894250 /nfs/dbraw/zinc/89/42/50/1189894250.db2.gz SWGIQMIFZMTDEK-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908939 1189894255 /nfs/dbraw/zinc/89/42/55/1189894255.db2.gz SWGIQMIFZMTDEK-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908939 1189894257 /nfs/dbraw/zinc/89/42/57/1189894257.db2.gz SWGIQMIFZMTDEK-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908939 1189894259 /nfs/dbraw/zinc/89/42/59/1189894259.db2.gz SWGIQMIFZMTDEK-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908683 1189894507 /nfs/dbraw/zinc/89/45/07/1189894507.db2.gz KHHAAIDRIVSRNV-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908683 1189894509 /nfs/dbraw/zinc/89/45/09/1189894509.db2.gz KHHAAIDRIVSRNV-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908683 1189894515 /nfs/dbraw/zinc/89/45/15/1189894515.db2.gz KHHAAIDRIVSRNV-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CCC[C@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008278 1189913408 /nfs/dbraw/zinc/91/34/08/1189913408.db2.gz CCIFCUGMKUSOPX-DLBZAZTESA-N 2 1 374.489 0.731 20 0 FCADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008278 1189913429 /nfs/dbraw/zinc/91/34/29/1189913429.db2.gz CCIFCUGMKUSOPX-DLBZAZTESA-N 2 1 374.489 0.731 20 0 FCADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008278 1189913438 /nfs/dbraw/zinc/91/34/38/1189913438.db2.gz CCIFCUGMKUSOPX-DLBZAZTESA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008278 1189913444 /nfs/dbraw/zinc/91/34/44/1189913444.db2.gz CCIFCUGMKUSOPX-DLBZAZTESA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC000896008278 1189913450 /nfs/dbraw/zinc/91/34/50/1189913450.db2.gz CCIFCUGMKUSOPX-DLBZAZTESA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000896228355 1190013009 /nfs/dbraw/zinc/01/30/09/1190013009.db2.gz FUIQZKSYSJCSHJ-QGZVFWFLSA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000896228355 1190013018 /nfs/dbraw/zinc/01/30/18/1190013018.db2.gz FUIQZKSYSJCSHJ-QGZVFWFLSA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000896231998 1190015497 /nfs/dbraw/zinc/01/54/97/1190015497.db2.gz GDGAETZQPZMODA-UHFFFAOYSA-N 2 1 363.506 0.372 20 0 FCADMP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896468693 1190064555 /nfs/dbraw/zinc/06/45/55/1190064555.db2.gz BZGVBLBEBHDYAR-GOSISDBHSA-N 2 1 369.554 0.860 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087986413 1190115997 /nfs/dbraw/zinc/11/59/97/1190115997.db2.gz KAVXXQNVCZOULK-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087986413 1190115999 /nfs/dbraw/zinc/11/59/99/1190115999.db2.gz KAVXXQNVCZOULK-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896748650 1190121093 /nfs/dbraw/zinc/12/10/93/1190121093.db2.gz KPDQJDYWUZNGGC-OKZBNKHCSA-N 2 1 366.506 0.480 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000896748650 1190121097 /nfs/dbraw/zinc/12/10/97/1190121097.db2.gz KPDQJDYWUZNGGC-OKZBNKHCSA-N 2 1 366.506 0.480 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318482 1190191253 /nfs/dbraw/zinc/19/12/53/1190191253.db2.gz DUXWOSVBDGWXQL-CVEARBPZSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318482 1190191256 /nfs/dbraw/zinc/19/12/56/1190191256.db2.gz DUXWOSVBDGWXQL-CVEARBPZSA-N 2 1 363.458 0.773 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)C1=O ZINC001088026012 1190261189 /nfs/dbraw/zinc/26/11/89/1190261189.db2.gz NXIKLMTVJURFEY-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP O=C(N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026399 1190261714 /nfs/dbraw/zinc/26/17/14/1190261714.db2.gz HZSGBILLYWOAAD-IKGGRYGDSA-N 2 1 360.502 0.674 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027954 1190267087 /nfs/dbraw/zinc/26/70/87/1190267087.db2.gz NVSDMSKKELNZSH-IMJJTQAJSA-N 2 1 355.442 0.863 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028123 1190268563 /nfs/dbraw/zinc/26/85/63/1190268563.db2.gz WSWIAYFMJFJNQI-VYDXJSESSA-N 2 1 355.442 0.992 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088042069 1190299774 /nfs/dbraw/zinc/29/97/74/1190299774.db2.gz WJCMVVSRLYTVNI-KMFMINBZSA-N 2 1 353.426 0.617 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001088042431 1190302119 /nfs/dbraw/zinc/30/21/19/1190302119.db2.gz OQIHFOQLEKFLAS-MSOLQXFVSA-N 2 1 356.474 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001088042431 1190302125 /nfs/dbraw/zinc/30/21/25/1190302125.db2.gz OQIHFOQLEKFLAS-MSOLQXFVSA-N 2 1 356.474 0.948 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090316 1190538852 /nfs/dbraw/zinc/53/88/52/1190538852.db2.gz HNJUWBOQRCOTEE-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088091727 1190544833 /nfs/dbraw/zinc/54/48/33/1190544833.db2.gz XZQYKTVEZCDHDS-OIISXLGYSA-N 2 1 362.518 0.776 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)C1 ZINC001088104956 1190590039 /nfs/dbraw/zinc/59/00/39/1190590039.db2.gz KUVUKEJTDNWZCF-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)C1 ZINC001088104956 1190590047 /nfs/dbraw/zinc/59/00/47/1190590047.db2.gz KUVUKEJTDNWZCF-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)CC[C@@H]3C2)C1 ZINC001088104956 1190590061 /nfs/dbraw/zinc/59/00/61/1190590061.db2.gz KUVUKEJTDNWZCF-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106664 1190594451 /nfs/dbraw/zinc/59/44/51/1190594451.db2.gz LPAAGTPGGOQEHV-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106664 1190594457 /nfs/dbraw/zinc/59/44/57/1190594457.db2.gz LPAAGTPGGOQEHV-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106664 1190594469 /nfs/dbraw/zinc/59/44/69/1190594469.db2.gz LPAAGTPGGOQEHV-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001088318169 1190728611 /nfs/dbraw/zinc/72/86/11/1190728611.db2.gz ZIAXRCCVNDBWLJ-QLFBSQMISA-N 2 1 364.494 0.309 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001088318100 1190728679 /nfs/dbraw/zinc/72/86/79/1190728679.db2.gz XNBSNYUMTDWSHX-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@](C[NH2+]CC(N)=O)(c3ccccc3)C2)CC[N@H+]1C ZINC001105425622 1190856413 /nfs/dbraw/zinc/85/64/13/1190856413.db2.gz RUJXEGPNEWAFAT-OYRIPWCXSA-N 2 1 358.486 0.618 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059689270 1190881784 /nfs/dbraw/zinc/88/17/84/1190881784.db2.gz QZHCJZPANLRFSQ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059689270 1190881786 /nfs/dbraw/zinc/88/17/86/1190881786.db2.gz QZHCJZPANLRFSQ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059856683 1191147825 /nfs/dbraw/zinc/14/78/25/1191147825.db2.gz XEXJSAQPMIOMSV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059856683 1191147827 /nfs/dbraw/zinc/14/78/27/1191147827.db2.gz XEXJSAQPMIOMSV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856683 1191147829 /nfs/dbraw/zinc/14/78/29/1191147829.db2.gz XEXJSAQPMIOMSV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856683 1191147831 /nfs/dbraw/zinc/14/78/31/1191147831.db2.gz XEXJSAQPMIOMSV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001217932489 1224132695 /nfs/dbraw/zinc/13/26/95/1224132695.db2.gz KBQWGIKZSQOSSL-DLBZAZTESA-N 2 1 365.478 0.006 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001217932489 1224132697 /nfs/dbraw/zinc/13/26/97/1224132697.db2.gz KBQWGIKZSQOSSL-DLBZAZTESA-N 2 1 365.478 0.006 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001218281401 1224151178 /nfs/dbraw/zinc/15/11/78/1224151178.db2.gz BJRSQEBHYCPBLP-ZWKOTPCHSA-N 2 1 371.441 0.829 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658726 1193724437 /nfs/dbraw/zinc/72/44/37/1193724437.db2.gz QRCWPBBCZSWSFP-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658726 1193724439 /nfs/dbraw/zinc/72/44/39/1193724439.db2.gz QRCWPBBCZSWSFP-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658726 1193724442 /nfs/dbraw/zinc/72/44/42/1193724442.db2.gz QRCWPBBCZSWSFP-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658726 1193724443 /nfs/dbraw/zinc/72/44/43/1193724443.db2.gz QRCWPBBCZSWSFP-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000550652283 1193725058 /nfs/dbraw/zinc/72/50/58/1193725058.db2.gz BOBCWNCUNIJWPU-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000550664706 1193729631 /nfs/dbraw/zinc/72/96/31/1193729631.db2.gz VYQINTDJBZCDPY-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000550664706 1193729633 /nfs/dbraw/zinc/72/96/33/1193729633.db2.gz VYQINTDJBZCDPY-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664706 1193729636 /nfs/dbraw/zinc/72/96/36/1193729636.db2.gz VYQINTDJBZCDPY-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664706 1193729640 /nfs/dbraw/zinc/72/96/40/1193729640.db2.gz VYQINTDJBZCDPY-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584289 1193740620 /nfs/dbraw/zinc/74/06/20/1193740620.db2.gz DMLZAFQTTHHPGA-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465770 1193796299 /nfs/dbraw/zinc/79/62/99/1193796299.db2.gz RESOLYGBFVLUIV-AQNXPRMDSA-N 2 1 371.481 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465770 1193796300 /nfs/dbraw/zinc/79/63/00/1193796300.db2.gz RESOLYGBFVLUIV-AQNXPRMDSA-N 2 1 371.481 0.720 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550943717 1193821445 /nfs/dbraw/zinc/82/14/45/1193821445.db2.gz ORJVHRPMGRLLBI-UHFFFAOYSA-N 2 1 367.538 0.118 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000551028833 1193827766 /nfs/dbraw/zinc/82/77/66/1193827766.db2.gz KGXYTFAFKOLNOH-UHFFFAOYSA-N 2 1 370.457 0.484 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088708354 1193827963 /nfs/dbraw/zinc/82/79/63/1193827963.db2.gz QFZCTIPTQFUZCI-DOMZBBRYSA-N 2 1 370.413 0.079 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105641471 1193844827 /nfs/dbraw/zinc/84/48/27/1193844827.db2.gz BNWBHNABLJAJDX-ZLHSVIROSA-N 2 1 368.522 0.168 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H](O)C2)cc1 ZINC001083469419 1193864060 /nfs/dbraw/zinc/86/40/60/1193864060.db2.gz RYQIKKKRCPOZOO-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H](O)C2)cc1 ZINC001083469419 1193864061 /nfs/dbraw/zinc/86/40/61/1193864061.db2.gz RYQIKKKRCPOZOO-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2O)n1 ZINC001083470451 1193867358 /nfs/dbraw/zinc/86/73/58/1193867358.db2.gz SSPBZTHVQMPEDJ-MSOLQXFVSA-N 2 1 363.506 0.800 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc4c(n3)OCCO4)C2)C1=O ZINC001276790108 1224177693 /nfs/dbraw/zinc/17/76/93/1224177693.db2.gz WDPLBMYPZFRDCI-IBGZPJMESA-N 2 1 360.458 0.839 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CCn1cccn1 ZINC001088757359 1193892486 /nfs/dbraw/zinc/89/24/86/1193892486.db2.gz VAJAAKQIKVAGQO-AFRNSKEISA-N 2 1 359.474 0.325 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CCn1cccn1 ZINC001088757359 1193892488 /nfs/dbraw/zinc/89/24/88/1193892488.db2.gz VAJAAKQIKVAGQO-AFRNSKEISA-N 2 1 359.474 0.325 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)ncn2)CC1 ZINC001218573340 1224175591 /nfs/dbraw/zinc/17/55/91/1224175591.db2.gz VMOXHXKHMDSHDY-HZPDHXFCSA-N 2 1 373.505 0.241 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)ncn2)CC1 ZINC001218571937 1224175736 /nfs/dbraw/zinc/17/57/36/1224175736.db2.gz CSNGEPDOOXOLAG-KXBFYZLASA-N 2 1 374.489 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]2O)CC[N@H+]1C ZINC001083473184 1193902779 /nfs/dbraw/zinc/90/27/79/1193902779.db2.gz MLYXCFKQSGBTHY-AXUOBQJMSA-N 2 1 373.497 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cc(CO)ccc3F)C[C@@H]2O)CC[N@H+]1C ZINC001083473187 1193902980 /nfs/dbraw/zinc/90/29/80/1193902980.db2.gz MRKXGTIUWLANCV-QVDUIBETSA-N 2 1 365.449 0.320 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)ncn2)CC1 ZINC001218571934 1224175939 /nfs/dbraw/zinc/17/59/39/1224175939.db2.gz CSNGEPDOOXOLAG-HNAYVOBHSA-N 2 1 374.489 0.716 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccnc(OC)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474532 1193908430 /nfs/dbraw/zinc/90/84/30/1193908430.db2.gz MUQMSDJKDBRDFB-HZMVEIRTSA-N 2 1 362.474 0.482 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000552175784 1193910015 /nfs/dbraw/zinc/91/00/15/1193910015.db2.gz LELVLRDSZBLEFE-GJZGRUSLSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552175784 1193910018 /nfs/dbraw/zinc/91/00/18/1193910018.db2.gz LELVLRDSZBLEFE-GJZGRUSLSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552175784 1193910022 /nfs/dbraw/zinc/91/00/22/1193910022.db2.gz LELVLRDSZBLEFE-GJZGRUSLSA-N 2 1 364.490 0.051 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC1=O ZINC000552351175 1193924618 /nfs/dbraw/zinc/92/46/18/1193924618.db2.gz RYSZLMWPJYVROZ-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(n3)OCCO4)C2)C1=O ZINC001276790110 1224177976 /nfs/dbraw/zinc/17/79/76/1224177976.db2.gz WDPLBMYPZFRDCI-LJQANCHMSA-N 2 1 360.458 0.839 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105667314 1193930307 /nfs/dbraw/zinc/93/03/07/1193930307.db2.gz QIWWYKBDJBOOEE-RGCFKVTRSA-N 2 1 368.522 0.040 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000552512762 1193936364 /nfs/dbraw/zinc/93/63/64/1193936364.db2.gz UVTKEJJTOQHBQW-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668137 1193947297 /nfs/dbraw/zinc/94/72/97/1193947297.db2.gz HYGGNOVSSGVWOQ-PSBWJHGTSA-N 2 1 364.490 0.804 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000552690342 1193948230 /nfs/dbraw/zinc/94/82/30/1193948230.db2.gz OWTGMJUXRGUDIF-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000552747364 1193949650 /nfs/dbraw/zinc/94/96/50/1193949650.db2.gz FQMYODWFIVJIGK-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000553735635 1194017558 /nfs/dbraw/zinc/01/75/58/1194017558.db2.gz WPIJLSGHECXZTF-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083524119 1194155506 /nfs/dbraw/zinc/15/55/06/1194155506.db2.gz ILSRFASXLRWLCW-KSZLIROESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083524119 1194155510 /nfs/dbraw/zinc/15/55/10/1194155510.db2.gz ILSRFASXLRWLCW-KSZLIROESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083524119 1194155516 /nfs/dbraw/zinc/15/55/16/1194155516.db2.gz ILSRFASXLRWLCW-KSZLIROESA-N 2 1 363.506 0.387 20 0 FCADMP COc1ccc(N)c(N(C(=O)C[NH2+]CCC[NH3+])C2COC(C)(C)OC2)n1 ZINC001218686032 1224196969 /nfs/dbraw/zinc/19/69/69/1224196969.db2.gz SLHIQABJFZJGRN-UHFFFAOYSA-N 2 1 367.450 0.095 20 0 FCADMP CC[NH+]1CCC(N2CCCN(Cc3cn(CC(=O)OC)nn3)CC2)CC1 ZINC000899869742 1194215927 /nfs/dbraw/zinc/21/59/27/1194215927.db2.gz KJRFOBKESIZBNI-UHFFFAOYSA-N 2 1 364.494 0.443 20 0 FCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070575 1194293492 /nfs/dbraw/zinc/29/34/92/1194293492.db2.gz PTMNQIMVLJGNDW-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070575 1194293499 /nfs/dbraw/zinc/29/34/99/1194293499.db2.gz PTMNQIMVLJGNDW-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP Cn1nccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070575 1194293505 /nfs/dbraw/zinc/29/35/05/1194293505.db2.gz PTMNQIMVLJGNDW-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP Cn1nccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070575 1194293511 /nfs/dbraw/zinc/29/35/11/1194293511.db2.gz PTMNQIMVLJGNDW-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1=O ZINC001076106649 1194308538 /nfs/dbraw/zinc/30/85/38/1194308538.db2.gz AQYWGKHARDABNM-YESZJQIVSA-N 2 1 359.474 0.815 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076107471 1194308916 /nfs/dbraw/zinc/30/89/16/1194308916.db2.gz XZGDWVKGFRKTNG-DLBZAZTESA-N 2 1 359.474 0.818 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107337 1194308989 /nfs/dbraw/zinc/30/89/89/1194308989.db2.gz QSLUVACZLTVUSJ-IXDOHACOSA-N 2 1 359.474 0.722 20 0 FCADMP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218742812 1224209446 /nfs/dbraw/zinc/20/94/46/1224209446.db2.gz KBWRPVUJPDDYCU-INIZCTEOSA-N 2 1 364.409 0.892 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001076177029 1194339657 /nfs/dbraw/zinc/33/96/57/1194339657.db2.gz GTOIGACPLJVKSR-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3ncccn3)C2=O)C1 ZINC001276794849 1224214496 /nfs/dbraw/zinc/21/44/96/1224214496.db2.gz BYGPUPAVKGTCGP-DNVCBOLYSA-N 2 1 361.490 0.650 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001076418798 1194467298 /nfs/dbraw/zinc/46/72/98/1194467298.db2.gz QCCHADMBSLVJJD-FUHWJXTLSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001076418798 1194467313 /nfs/dbraw/zinc/46/73/13/1194467313.db2.gz QCCHADMBSLVJJD-FUHWJXTLSA-N 2 1 362.518 0.918 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076457520 1194497372 /nfs/dbraw/zinc/49/73/72/1194497372.db2.gz GYYPLFBVIAWSBM-BPQIPLTHSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457520 1194497375 /nfs/dbraw/zinc/49/73/75/1194497375.db2.gz GYYPLFBVIAWSBM-BPQIPLTHSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457520 1194497380 /nfs/dbraw/zinc/49/73/80/1194497380.db2.gz GYYPLFBVIAWSBM-BPQIPLTHSA-N 2 1 358.486 0.760 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789345 1224223454 /nfs/dbraw/zinc/22/34/54/1224223454.db2.gz IFZCIVGEZDGGAA-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789345 1224223463 /nfs/dbraw/zinc/22/34/63/1224223463.db2.gz IFZCIVGEZDGGAA-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1cc2n(n1)CC[NH2+]C2 ZINC001218882816 1224247529 /nfs/dbraw/zinc/24/75/29/1224247529.db2.gz WQSALROOPJLPFE-UHFFFAOYSA-N 2 1 354.414 0.284 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218919606 1224259036 /nfs/dbraw/zinc/25/90/36/1224259036.db2.gz VIHCRNCBZMKGEV-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218919606 1224259041 /nfs/dbraw/zinc/25/90/41/1224259041.db2.gz VIHCRNCBZMKGEV-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218919606 1224259045 /nfs/dbraw/zinc/25/90/45/1224259045.db2.gz VIHCRNCBZMKGEV-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001076987348 1195118126 /nfs/dbraw/zinc/11/81/26/1195118126.db2.gz MYTQRYUEPXKZDX-FGTMMUONSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001076987348 1195118131 /nfs/dbraw/zinc/11/81/31/1195118131.db2.gz MYTQRYUEPXKZDX-FGTMMUONSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001076987348 1195118137 /nfs/dbraw/zinc/11/81/37/1195118137.db2.gz MYTQRYUEPXKZDX-FGTMMUONSA-N 2 1 363.506 0.480 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001076987348 1195118141 /nfs/dbraw/zinc/11/81/41/1195118141.db2.gz MYTQRYUEPXKZDX-FGTMMUONSA-N 2 1 363.506 0.480 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077002826 1195137746 /nfs/dbraw/zinc/13/77/46/1195137746.db2.gz IQMSXJFZBBHOTQ-KZNAEPCWSA-N 2 1 361.490 0.003 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077002826 1195137751 /nfs/dbraw/zinc/13/77/51/1195137751.db2.gz IQMSXJFZBBHOTQ-KZNAEPCWSA-N 2 1 361.490 0.003 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)n1 ZINC001077014378 1195148163 /nfs/dbraw/zinc/14/81/63/1195148163.db2.gz SWJCPLIJIVSULF-HUUCEWRRSA-N 2 1 371.432 0.265 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001077024827 1195155234 /nfs/dbraw/zinc/15/52/34/1195155234.db2.gz RQLLGXWWKPGSOA-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001077024827 1195155237 /nfs/dbraw/zinc/15/52/37/1195155237.db2.gz RQLLGXWWKPGSOA-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077024827 1195155241 /nfs/dbraw/zinc/15/52/41/1195155241.db2.gz RQLLGXWWKPGSOA-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077024827 1195155247 /nfs/dbraw/zinc/15/52/47/1195155247.db2.gz RQLLGXWWKPGSOA-NXWXRZEISA-N 2 1 361.486 0.875 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308736 1195410371 /nfs/dbraw/zinc/41/03/71/1195410371.db2.gz JOICOPUFZYXKSI-ZTFGCOKTSA-N 2 1 358.442 0.926 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001077396193 1195495129 /nfs/dbraw/zinc/49/51/29/1195495129.db2.gz SOZWPISEVOCLJN-BLYBZDDLSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418322 1195517260 /nfs/dbraw/zinc/51/72/60/1195517260.db2.gz NMGIWSZROYZVOA-PINPWASSSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418322 1195517263 /nfs/dbraw/zinc/51/72/63/1195517263.db2.gz NMGIWSZROYZVOA-PINPWASSSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418322 1195517274 /nfs/dbraw/zinc/51/72/74/1195517274.db2.gz NMGIWSZROYZVOA-PINPWASSSA-N 2 1 371.428 0.056 20 0 FCADMP O[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@@]1(O)CCOC1 ZINC000905233051 1195578350 /nfs/dbraw/zinc/57/83/50/1195578350.db2.gz PYPQEWMVKZEGLT-ZCNNSNEGSA-N 2 1 364.486 0.770 20 0 FCADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347244 1195582140 /nfs/dbraw/zinc/58/21/40/1195582140.db2.gz XKDTVJMBWKRKTO-MJGOQNOKSA-N 2 1 365.474 0.662 20 0 FCADMP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000906645913 1195641829 /nfs/dbraw/zinc/64/18/29/1195641829.db2.gz NBCNDNMAUVBGLW-INIZCTEOSA-N 2 1 360.458 0.797 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906666470 1195643686 /nfs/dbraw/zinc/64/36/86/1195643686.db2.gz QITYLFNVOCZPRK-CQSZACIVSA-N 2 1 360.458 0.796 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607149 1195682787 /nfs/dbraw/zinc/68/27/87/1195682787.db2.gz IJJAJYBJGLTTAJ-MSOLQXFVSA-N 2 1 358.442 0.926 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000907350516 1195690254 /nfs/dbraw/zinc/69/02/54/1195690254.db2.gz FNCNSLRVAKMTKR-SOUVJXGZSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907350516 1195690259 /nfs/dbraw/zinc/69/02/59/1195690259.db2.gz FNCNSLRVAKMTKR-SOUVJXGZSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907350516 1195690265 /nfs/dbraw/zinc/69/02/65/1195690265.db2.gz FNCNSLRVAKMTKR-SOUVJXGZSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907350517 1195690662 /nfs/dbraw/zinc/69/06/62/1195690662.db2.gz FNCNSLRVAKMTKR-ZNMIVQPWSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000907350517 1195690667 /nfs/dbraw/zinc/69/06/67/1195690667.db2.gz FNCNSLRVAKMTKR-ZNMIVQPWSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000907350517 1195690669 /nfs/dbraw/zinc/69/06/69/1195690669.db2.gz FNCNSLRVAKMTKR-ZNMIVQPWSA-N 2 1 368.522 0.325 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1)OC ZINC001083633023 1195805905 /nfs/dbraw/zinc/80/59/05/1195805905.db2.gz BYMMALRMWGDHQT-UAGQMJEPSA-N 2 1 359.430 0.467 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029228 1195880150 /nfs/dbraw/zinc/88/01/50/1195880150.db2.gz LSXOLJJJNYPLTC-MJSCVDMRSA-N 2 1 358.486 0.964 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258022 1195927862 /nfs/dbraw/zinc/92/78/62/1195927862.db2.gz LRAAYDDRNLOWOZ-BRWVUGGUSA-N 2 1 358.486 0.964 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644433 1195931224 /nfs/dbraw/zinc/93/12/24/1195931224.db2.gz GRCTYIMTFDHGLV-SJORKVTESA-N 2 1 354.414 0.085 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644433 1195931227 /nfs/dbraw/zinc/93/12/27/1195931227.db2.gz GRCTYIMTFDHGLV-SJORKVTESA-N 2 1 354.414 0.085 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)n1 ZINC001083644871 1195935669 /nfs/dbraw/zinc/93/56/69/1195935669.db2.gz ZKTMQRRIQKLTAA-MSOLQXFVSA-N 2 1 368.441 0.623 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)n1 ZINC001083644871 1195935671 /nfs/dbraw/zinc/93/56/71/1195935671.db2.gz ZKTMQRRIQKLTAA-MSOLQXFVSA-N 2 1 368.441 0.623 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911350559 1195939589 /nfs/dbraw/zinc/93/95/89/1195939589.db2.gz HSPQRUADRXYANO-SZMVWBNQSA-N 2 1 358.486 0.820 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001219052399 1224321260 /nfs/dbraw/zinc/32/12/60/1224321260.db2.gz YUXJJVLBQDPYNK-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385794 1196343903 /nfs/dbraw/zinc/34/39/03/1196343903.db2.gz ODJNWUWTCLRILY-LJQANCHMSA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385794 1196343907 /nfs/dbraw/zinc/34/39/07/1196343907.db2.gz ODJNWUWTCLRILY-LJQANCHMSA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385794 1196343911 /nfs/dbraw/zinc/34/39/11/1196343911.db2.gz ODJNWUWTCLRILY-LJQANCHMSA-N 2 1 360.502 0.363 20 0 FCADMP C[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000991423208 1196392812 /nfs/dbraw/zinc/39/28/12/1196392812.db2.gz WLOHPBUFWMNMIA-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000991423208 1196392818 /nfs/dbraw/zinc/39/28/18/1196392818.db2.gz WLOHPBUFWMNMIA-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1ccnc1C(N)=[NH2+] ZINC001168409429 1196761230 /nfs/dbraw/zinc/76/12/30/1196761230.db2.gz BZPWSWAHEQBVJD-GFCCVEGCSA-N 2 1 374.445 0.657 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974201 1196761979 /nfs/dbraw/zinc/76/19/79/1196761979.db2.gz QILMIKVHUVCPON-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974201 1196761989 /nfs/dbraw/zinc/76/19/89/1196761989.db2.gz QILMIKVHUVCPON-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052970 1196876190 /nfs/dbraw/zinc/87/61/90/1196876190.db2.gz GGSMYVVLCSHFPW-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052970 1196876191 /nfs/dbraw/zinc/87/61/91/1196876191.db2.gz GGSMYVVLCSHFPW-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052970 1196876193 /nfs/dbraw/zinc/87/61/93/1196876193.db2.gz GGSMYVVLCSHFPW-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052970 1196876194 /nfs/dbraw/zinc/87/61/94/1196876194.db2.gz GGSMYVVLCSHFPW-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C)cn1 ZINC001089053158 1196876798 /nfs/dbraw/zinc/87/67/98/1196876798.db2.gz LXRKJAQBYCXJMZ-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C)cn1 ZINC001089053158 1196876801 /nfs/dbraw/zinc/87/68/01/1196876801.db2.gz LXRKJAQBYCXJMZ-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C)cn1 ZINC001089053158 1196876803 /nfs/dbraw/zinc/87/68/03/1196876803.db2.gz LXRKJAQBYCXJMZ-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C)cn1 ZINC001089053158 1196876804 /nfs/dbraw/zinc/87/68/04/1196876804.db2.gz LXRKJAQBYCXJMZ-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001089092129 1196896388 /nfs/dbraw/zinc/89/63/88/1196896388.db2.gz BYOSMVVEGMCUAX-CABCVRRESA-N 2 1 358.450 0.501 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)CC2 ZINC000992087584 1196944697 /nfs/dbraw/zinc/94/46/97/1196944697.db2.gz BZSGOMSWMZROIH-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)CC2 ZINC000992087584 1196944710 /nfs/dbraw/zinc/94/47/10/1196944710.db2.gz BZSGOMSWMZROIH-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000992163469 1196986807 /nfs/dbraw/zinc/98/68/07/1196986807.db2.gz VFDHEQURVNASSS-SJJHQCBESA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000992163469 1196986818 /nfs/dbraw/zinc/98/68/18/1196986818.db2.gz VFDHEQURVNASSS-SJJHQCBESA-N 2 1 361.490 0.933 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001219193691 1224382608 /nfs/dbraw/zinc/38/26/08/1224382608.db2.gz JCIMTSMRTDMYHC-HIFRSBDPSA-N 2 1 371.407 0.738 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236489 1224396009 /nfs/dbraw/zinc/39/60/09/1224396009.db2.gz VGASJMFBWHAIIG-MAUKXSAKSA-N 2 1 360.506 0.303 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1C[NH2+]CCN1 ZINC001219262481 1224406725 /nfs/dbraw/zinc/40/67/25/1224406725.db2.gz WQSRWVFQXPPOAB-CQSZACIVSA-N 2 1 359.430 0.352 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085217882 1197691899 /nfs/dbraw/zinc/69/18/99/1197691899.db2.gz WCINTYWHSDTJLV-BRWVUGGUSA-N 2 1 365.522 0.903 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033692 1197702509 /nfs/dbraw/zinc/70/25/09/1197702509.db2.gz SCLUNKYGLUOWSM-FCEWJHQRSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085245021 1197738426 /nfs/dbraw/zinc/73/84/26/1197738426.db2.gz IFBKEQHTUAUHFP-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661219 1197799762 /nfs/dbraw/zinc/79/97/62/1197799762.db2.gz JYLJQFPZGFUHTD-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661220 1197800093 /nfs/dbraw/zinc/80/00/93/1197800093.db2.gz JYLJQFPZGFUHTD-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1 ZINC000993079781 1197803166 /nfs/dbraw/zinc/80/31/66/1197803166.db2.gz BYBDPHVZAWRKSR-FUHIMQAGSA-N 2 1 362.518 0.587 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727185 1197830811 /nfs/dbraw/zinc/83/08/11/1197830811.db2.gz PAYAKHFDTWPLGR-HNKHHVNMSA-N 2 1 365.478 0.202 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727185 1197830812 /nfs/dbraw/zinc/83/08/12/1197830812.db2.gz PAYAKHFDTWPLGR-HNKHHVNMSA-N 2 1 365.478 0.202 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727185 1197830816 /nfs/dbraw/zinc/83/08/16/1197830816.db2.gz PAYAKHFDTWPLGR-HNKHHVNMSA-N 2 1 365.478 0.202 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727185 1197830818 /nfs/dbraw/zinc/83/08/18/1197830818.db2.gz PAYAKHFDTWPLGR-HNKHHVNMSA-N 2 1 365.478 0.202 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001085394173 1197861789 /nfs/dbraw/zinc/86/17/89/1197861789.db2.gz XTPGREFHUHPXPN-BZUAXINKSA-N 2 1 363.510 0.942 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085394173 1197861790 /nfs/dbraw/zinc/86/17/90/1197861790.db2.gz XTPGREFHUHPXPN-BZUAXINKSA-N 2 1 363.510 0.942 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)C1 ZINC001085429024 1197895997 /nfs/dbraw/zinc/89/59/97/1197895997.db2.gz CZTWLLICOQWVNY-KZNAEPCWSA-N 2 1 363.506 0.966 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)C1 ZINC001085429024 1197896001 /nfs/dbraw/zinc/89/60/01/1197896001.db2.gz CZTWLLICOQWVNY-KZNAEPCWSA-N 2 1 363.506 0.966 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCN(Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975046 /nfs/dbraw/zinc/97/50/46/1197975046.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 1 361.490 0.650 20 0 FCADMP CCN(C)CC(=O)N1CCN(Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975049 /nfs/dbraw/zinc/97/50/49/1197975049.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 1 361.490 0.650 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000739023276 1198007118 /nfs/dbraw/zinc/00/71/18/1198007118.db2.gz LLRLATHNSZMVOA-WMZOPIPTSA-N 2 1 368.522 0.897 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577668 1198021053 /nfs/dbraw/zinc/02/10/53/1198021053.db2.gz PMZOTZNSXPDVFB-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577668 1198021062 /nfs/dbraw/zinc/02/10/62/1198021062.db2.gz PMZOTZNSXPDVFB-KZNAEPCWSA-N 2 1 371.522 0.443 20 0 FCADMP C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090852 1198156860 /nfs/dbraw/zinc/15/68/60/1198156860.db2.gz UPNVXZHRKINESW-OJKRMQCYSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090852 1198156867 /nfs/dbraw/zinc/15/68/67/1198156867.db2.gz UPNVXZHRKINESW-OJKRMQCYSA-N 2 1 361.494 0.894 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nnnn1C1CC1 ZINC001086090852 1198156869 /nfs/dbraw/zinc/15/68/69/1198156869.db2.gz UPNVXZHRKINESW-OJKRMQCYSA-N 2 1 361.494 0.894 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001006294967 1198305032 /nfs/dbraw/zinc/30/50/32/1198305032.db2.gz QHBBKCJKSAAPIY-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001006294967 1198305043 /nfs/dbraw/zinc/30/50/43/1198305043.db2.gz QHBBKCJKSAAPIY-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c[nH+]cc1CC[NH3+] ZINC001169161835 1199049878 /nfs/dbraw/zinc/04/98/78/1199049878.db2.gz HARYUJJVCRFGLN-ZDUSSCGKSA-N 2 1 373.461 0.563 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398451 1199065726 /nfs/dbraw/zinc/06/57/26/1199065726.db2.gz RKFZKHMROFXNJT-ZJPYXAASSA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398451 1199065733 /nfs/dbraw/zinc/06/57/33/1199065733.db2.gz RKFZKHMROFXNJT-ZJPYXAASSA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398451 1199065742 /nfs/dbraw/zinc/06/57/42/1199065742.db2.gz RKFZKHMROFXNJT-ZJPYXAASSA-N 2 1 370.490 0.766 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129370441 1199129964 /nfs/dbraw/zinc/12/99/64/1199129964.db2.gz UTEPHAPSPPZOTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129370441 1199129969 /nfs/dbraw/zinc/12/99/69/1199129969.db2.gz UTEPHAPSPPZOTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129370441 1199129977 /nfs/dbraw/zinc/12/99/77/1199129977.db2.gz UTEPHAPSPPZOTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129369573 1199131074 /nfs/dbraw/zinc/13/10/74/1199131074.db2.gz AWELMESKIJRFPS-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129369573 1199131075 /nfs/dbraw/zinc/13/10/75/1199131075.db2.gz AWELMESKIJRFPS-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129369573 1199131077 /nfs/dbraw/zinc/13/10/77/1199131077.db2.gz AWELMESKIJRFPS-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129369573 1199131079 /nfs/dbraw/zinc/13/10/79/1199131079.db2.gz AWELMESKIJRFPS-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP [NH3+]C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCN(Cc2ccccc2)CC1 ZINC001219620276 1224531269 /nfs/dbraw/zinc/53/12/69/1224531269.db2.gz YULGDYRIBGAEQU-QFBILLFUSA-N 2 1 364.465 0.159 20 0 FCADMP O=C(NCCN1CCCCO1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219633123 1224539593 /nfs/dbraw/zinc/53/95/93/1224539593.db2.gz XUJJQXQMUUJBRS-GOSISDBHSA-N 2 1 358.486 0.852 20 0 FCADMP O=C(NCCN1CCCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219633123 1224539596 /nfs/dbraw/zinc/53/95/96/1224539596.db2.gz XUJJQXQMUUJBRS-GOSISDBHSA-N 2 1 358.486 0.852 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219703185 1224566281 /nfs/dbraw/zinc/56/62/81/1224566281.db2.gz DGOKZYCTWOWRPC-SFHVURJKSA-N 3 1 358.486 0.401 20 0 FCADMP CN1C[C@@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219703185 1224566288 /nfs/dbraw/zinc/56/62/88/1224566288.db2.gz DGOKZYCTWOWRPC-SFHVURJKSA-N 2 1 358.486 0.401 20 0 FCADMP [NH3+]CCCNCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726492 1224579486 /nfs/dbraw/zinc/57/94/86/1224579486.db2.gz KCUAEBYHMZUNHC-IBGZPJMESA-N 3 1 373.545 0.543 20 0 FCADMP [NH3+]CCCNCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726492 1224579490 /nfs/dbraw/zinc/57/94/90/1224579490.db2.gz KCUAEBYHMZUNHC-IBGZPJMESA-N 3 1 373.545 0.543 20 0 FCADMP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722694 1224576325 /nfs/dbraw/zinc/57/63/25/1224576325.db2.gz DPQKRPHJJFRZNA-QZTJIDSGSA-N 3 1 360.502 0.314 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNC(=O)N1 ZINC001219726137 1224578019 /nfs/dbraw/zinc/57/80/19/1224578019.db2.gz IHQGBEVFLWOEGE-SJORKVTESA-N 2 1 371.485 0.286 20 0 FCADMP C[NH2+][C@@H](CO)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727231 1224578996 /nfs/dbraw/zinc/57/89/96/1224578996.db2.gz ZMQHDFRNCHZOTP-MSOLQXFVSA-N 3 1 360.502 0.185 20 0 FCADMP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726411 1224579096 /nfs/dbraw/zinc/57/90/96/1224579096.db2.gz IRLSFHLKZQTZAT-ROUUACIJSA-N 3 1 360.502 0.578 20 0 FCADMP COC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726411 1224579102 /nfs/dbraw/zinc/57/91/02/1224579102.db2.gz IRLSFHLKZQTZAT-ROUUACIJSA-N 2 1 360.502 0.578 20 0 FCADMP COC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726411 1224579105 /nfs/dbraw/zinc/57/91/05/1224579105.db2.gz IRLSFHLKZQTZAT-ROUUACIJSA-N 2 1 360.502 0.578 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726492 1224579479 /nfs/dbraw/zinc/57/94/79/1224579479.db2.gz KCUAEBYHMZUNHC-IBGZPJMESA-N 4 1 373.545 0.543 20 0 FCADMP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728706 1224580906 /nfs/dbraw/zinc/58/09/06/1224580906.db2.gz FIIKVIJMNIPWBO-QYZOEREBSA-N 3 1 371.529 0.294 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728706 1224580914 /nfs/dbraw/zinc/58/09/14/1224580914.db2.gz FIIKVIJMNIPWBO-QYZOEREBSA-N 4 1 371.529 0.294 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728706 1224580924 /nfs/dbraw/zinc/58/09/24/1224580924.db2.gz FIIKVIJMNIPWBO-QYZOEREBSA-N 4 1 371.529 0.294 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219732163 1224583335 /nfs/dbraw/zinc/58/33/35/1224583335.db2.gz PFSPAWPKZCFDFN-KURKYZTESA-N 2 1 367.465 0.520 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219732163 1224583347 /nfs/dbraw/zinc/58/33/47/1224583347.db2.gz PFSPAWPKZCFDFN-KURKYZTESA-N 2 1 367.465 0.520 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294518 1200153219 /nfs/dbraw/zinc/15/32/19/1200153219.db2.gz QWXGZINSUIEYPN-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294518 1200153223 /nfs/dbraw/zinc/15/32/23/1200153223.db2.gz QWXGZINSUIEYPN-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001109307450 1200156266 /nfs/dbraw/zinc/15/62/66/1200156266.db2.gz LRSDBMMNZDVZCU-ICUGJSFKSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001109307450 1200156270 /nfs/dbraw/zinc/15/62/70/1200156270.db2.gz LRSDBMMNZDVZCU-ICUGJSFKSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001109307450 1200156275 /nfs/dbraw/zinc/15/62/75/1200156275.db2.gz LRSDBMMNZDVZCU-ICUGJSFKSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001109307450 1200156278 /nfs/dbraw/zinc/15/62/78/1200156278.db2.gz LRSDBMMNZDVZCU-ICUGJSFKSA-N 2 1 362.518 0.964 20 0 FCADMP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764536 1224601385 /nfs/dbraw/zinc/60/13/85/1224601385.db2.gz HWCDTXOLDFLTMD-VNQPRFMTSA-N 2 1 370.419 0.985 20 0 FCADMP [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764536 1224601396 /nfs/dbraw/zinc/60/13/96/1224601396.db2.gz HWCDTXOLDFLTMD-VNQPRFMTSA-N 2 1 370.419 0.985 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001109462795 1200302611 /nfs/dbraw/zinc/30/26/11/1200302611.db2.gz QPMGSKCJFBGYDP-NCOADZHNSA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109462795 1200302621 /nfs/dbraw/zinc/30/26/21/1200302621.db2.gz QPMGSKCJFBGYDP-NCOADZHNSA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109462795 1200302630 /nfs/dbraw/zinc/30/26/30/1200302630.db2.gz QPMGSKCJFBGYDP-NCOADZHNSA-N 2 1 363.506 0.696 20 0 FCADMP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772158 1224606725 /nfs/dbraw/zinc/60/67/25/1224606725.db2.gz XPYGDZAHPZHNHU-FXAWDEMLSA-N 3 1 360.477 0.916 20 0 FCADMP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219772158 1224606729 /nfs/dbraw/zinc/60/67/29/1224606729.db2.gz XPYGDZAHPZHNHU-FXAWDEMLSA-N 3 1 360.477 0.916 20 0 FCADMP COC(=O)C[C@]1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCOC1 ZINC000770675791 1200470151 /nfs/dbraw/zinc/47/01/51/1200470151.db2.gz GATNSAJASYOAAN-GOSISDBHSA-N 2 1 363.462 0.430 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109719020 1200485035 /nfs/dbraw/zinc/48/50/35/1200485035.db2.gz RGPDZPYKUPDZQR-RANZSIQMSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719020 1200485042 /nfs/dbraw/zinc/48/50/42/1200485042.db2.gz RGPDZPYKUPDZQR-RANZSIQMSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719020 1200485043 /nfs/dbraw/zinc/48/50/43/1200485043.db2.gz RGPDZPYKUPDZQR-RANZSIQMSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001109719168 1200485129 /nfs/dbraw/zinc/48/51/29/1200485129.db2.gz XCPKAWMNHUWGLO-MVJTYMMSSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001109719168 1200485134 /nfs/dbraw/zinc/48/51/34/1200485134.db2.gz XCPKAWMNHUWGLO-MVJTYMMSSA-N 2 1 362.474 0.484 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219794369 1224615575 /nfs/dbraw/zinc/61/55/75/1224615575.db2.gz YCDJZZIBPSDIHI-OXJNMPFZSA-N 2 1 364.534 0.868 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794542 1224615948 /nfs/dbraw/zinc/61/59/48/1224615948.db2.gz DHTRCHQAFBZGTQ-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794542 1224615950 /nfs/dbraw/zinc/61/59/50/1224615950.db2.gz DHTRCHQAFBZGTQ-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794542 1224615951 /nfs/dbraw/zinc/61/59/51/1224615951.db2.gz DHTRCHQAFBZGTQ-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799456 1200523879 /nfs/dbraw/zinc/52/38/79/1200523879.db2.gz ZCUIGWMFVZKUIB-RZFFKMDDSA-N 2 1 365.478 0.023 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799456 1200523885 /nfs/dbraw/zinc/52/38/85/1200523885.db2.gz ZCUIGWMFVZKUIB-RZFFKMDDSA-N 2 1 365.478 0.023 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847765 1200559884 /nfs/dbraw/zinc/55/98/84/1200559884.db2.gz GHXZKVRSWWPOJX-QZWWFDLISA-N 2 1 366.506 0.474 20 0 FCADMP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847700 1200560533 /nfs/dbraw/zinc/56/05/33/1200560533.db2.gz CRXCFPCBNBWKSK-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)c1 ZINC001219800267 1224619111 /nfs/dbraw/zinc/61/91/11/1224619111.db2.gz JHTQORMWFMGXOP-MSOLQXFVSA-N 2 1 360.502 0.898 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902698 1200601911 /nfs/dbraw/zinc/60/19/11/1200601911.db2.gz XCEWVLCJLYUMBI-BSWAZPDLSA-N 2 1 364.490 0.049 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902698 1200601916 /nfs/dbraw/zinc/60/19/16/1200601916.db2.gz XCEWVLCJLYUMBI-BSWAZPDLSA-N 2 1 364.490 0.049 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CCC1 ZINC001219802548 1224621774 /nfs/dbraw/zinc/62/17/74/1224621774.db2.gz TXSSARLWSRFHBX-CVEARBPZSA-N 2 1 359.430 0.368 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CCC1 ZINC001219802548 1224621779 /nfs/dbraw/zinc/62/17/79/1224621779.db2.gz TXSSARLWSRFHBX-CVEARBPZSA-N 2 1 359.430 0.368 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219805359 1224623857 /nfs/dbraw/zinc/62/38/57/1224623857.db2.gz DOHFMMJYGOJVGI-QYZOEREBSA-N 2 1 361.486 0.957 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219805359 1224623862 /nfs/dbraw/zinc/62/38/62/1224623862.db2.gz DOHFMMJYGOJVGI-QYZOEREBSA-N 2 1 361.486 0.957 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109978731 1200661973 /nfs/dbraw/zinc/66/19/73/1200661973.db2.gz HDRIXHGVTBXPGX-NCOADZHNSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007168 1200698785 /nfs/dbraw/zinc/69/87/85/1200698785.db2.gz KZHUMEULMDAISV-SQNIBIBYSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001110021583 1200707748 /nfs/dbraw/zinc/70/77/48/1200707748.db2.gz FWMKOQSRCWYRCT-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001110021583 1200707753 /nfs/dbraw/zinc/70/77/53/1200707753.db2.gz FWMKOQSRCWYRCT-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001110021583 1200707759 /nfs/dbraw/zinc/70/77/59/1200707759.db2.gz FWMKOQSRCWYRCT-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001110021583 1200707763 /nfs/dbraw/zinc/70/77/63/1200707763.db2.gz FWMKOQSRCWYRCT-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001112578393 1200816791 /nfs/dbraw/zinc/81/67/91/1200816791.db2.gz MQKRVPAPEYWWBS-ZWOKBUDYSA-N 2 1 362.518 0.683 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000786330040 1200834941 /nfs/dbraw/zinc/83/49/41/1200834941.db2.gz BCRWVKZLKLLAQR-IAGOWNOFSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000746676422 1200878196 /nfs/dbraw/zinc/87/81/96/1200878196.db2.gz VIMKUJIXRRZFHX-QGZVFWFLSA-N 2 1 369.506 0.785 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cn1 ZINC000787483479 1200888750 /nfs/dbraw/zinc/88/87/50/1200888750.db2.gz FDOAJGXYUYNHPT-CYBMUJFWSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cn1 ZINC000787483479 1200888754 /nfs/dbraw/zinc/88/87/54/1200888754.db2.gz FDOAJGXYUYNHPT-CYBMUJFWSA-N 2 1 370.457 0.791 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829830 1224641328 /nfs/dbraw/zinc/64/13/28/1224641328.db2.gz FZJDFDYSDAYHBE-OTWHNJEPSA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829830 1224641330 /nfs/dbraw/zinc/64/13/30/1224641330.db2.gz FZJDFDYSDAYHBE-OTWHNJEPSA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219829830 1224641332 /nfs/dbraw/zinc/64/13/32/1224641332.db2.gz FZJDFDYSDAYHBE-OTWHNJEPSA-N 2 1 361.486 0.715 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830502 1224641927 /nfs/dbraw/zinc/64/19/27/1224641927.db2.gz YEWMHADFGAWRKI-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)cn1 ZINC001219830502 1224641931 /nfs/dbraw/zinc/64/19/31/1224641931.db2.gz YEWMHADFGAWRKI-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)cn1 ZINC001219830502 1224641934 /nfs/dbraw/zinc/64/19/34/1224641934.db2.gz YEWMHADFGAWRKI-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371615 1201076019 /nfs/dbraw/zinc/07/60/19/1201076019.db2.gz TVLYEZHNJCZSLN-IEBWSBKVSA-N 2 1 364.490 0.657 20 0 FCADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371615 1201076026 /nfs/dbraw/zinc/07/60/26/1201076026.db2.gz TVLYEZHNJCZSLN-IEBWSBKVSA-N 2 1 364.490 0.657 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)CC[N@H+]1C ZINC001114303722 1201293984 /nfs/dbraw/zinc/29/39/84/1201293984.db2.gz CWMQLXNZUWGETD-DZVNLGKHSA-N 2 1 360.506 0.835 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)CC[NH+]1C ZINC001114303722 1201293990 /nfs/dbraw/zinc/29/39/90/1201293990.db2.gz CWMQLXNZUWGETD-DZVNLGKHSA-N 2 1 360.506 0.835 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCCCn4cncn4)C[C@H]32)CC[NH+]1C ZINC001114303722 1201293997 /nfs/dbraw/zinc/29/39/97/1201293997.db2.gz CWMQLXNZUWGETD-DZVNLGKHSA-N 2 1 360.506 0.835 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454179 1201311764 /nfs/dbraw/zinc/31/17/64/1201311764.db2.gz ZSXUFLPGNSRMDW-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441373 1201318169 /nfs/dbraw/zinc/31/81/69/1201318169.db2.gz RJXVYZZARZYJQM-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441373 1201318176 /nfs/dbraw/zinc/31/81/76/1201318176.db2.gz RJXVYZZARZYJQM-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441373 1201318182 /nfs/dbraw/zinc/31/81/82/1201318182.db2.gz RJXVYZZARZYJQM-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441373 1201318188 /nfs/dbraw/zinc/31/81/88/1201318188.db2.gz RJXVYZZARZYJQM-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460027 1201326156 /nfs/dbraw/zinc/32/61/56/1201326156.db2.gz GPWOOJFAGIXORA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460027 1201326162 /nfs/dbraw/zinc/32/61/62/1201326162.db2.gz GPWOOJFAGIXORA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460027 1201326166 /nfs/dbraw/zinc/32/61/66/1201326166.db2.gz GPWOOJFAGIXORA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)no1 ZINC001129917633 1201427680 /nfs/dbraw/zinc/42/76/80/1201427680.db2.gz YZYUHKISSBXZJP-CABCVRRESA-N 2 1 365.413 0.343 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899755 1201433204 /nfs/dbraw/zinc/43/32/04/1201433204.db2.gz KJKIQVGKSGJVHI-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919036 1201441004 /nfs/dbraw/zinc/44/10/04/1201441004.db2.gz OSVUCZMHUHKTRU-OAGGEKHMSA-N 2 1 366.510 0.511 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129923579 1201443035 /nfs/dbraw/zinc/44/30/35/1201443035.db2.gz KWVYGRLFCLFNSH-ZACQAIPSSA-N 2 1 364.494 0.122 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896979 1224673905 /nfs/dbraw/zinc/67/39/05/1224673905.db2.gz RKENNZNHYDFVRB-IKGGRYGDSA-N 2 1 367.465 0.751 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896979 1224673909 /nfs/dbraw/zinc/67/39/09/1224673909.db2.gz RKENNZNHYDFVRB-IKGGRYGDSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896979 1224673912 /nfs/dbraw/zinc/67/39/12/1224673912.db2.gz RKENNZNHYDFVRB-IKGGRYGDSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896979 1224673914 /nfs/dbraw/zinc/67/39/14/1224673914.db2.gz RKENNZNHYDFVRB-IKGGRYGDSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130047452 1201486532 /nfs/dbraw/zinc/48/65/32/1201486532.db2.gz BLEFJVYNMILQGU-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130081403 1201492643 /nfs/dbraw/zinc/49/26/43/1201492643.db2.gz MPOQTFQYBWIBGU-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130107143 1201501894 /nfs/dbraw/zinc/50/18/94/1201501894.db2.gz FWMAHGSKOZOULH-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130136980 1201514483 /nfs/dbraw/zinc/51/44/83/1201514483.db2.gz CHQQRGFGUVCYLR-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130136979 1201514771 /nfs/dbraw/zinc/51/47/71/1201514771.db2.gz CHQQRGFGUVCYLR-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP Cc1cc(C)cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130180214 1201525129 /nfs/dbraw/zinc/52/51/29/1201525129.db2.gz HVNLSSMAZIVZNQ-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1cc(C)cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130180214 1201525131 /nfs/dbraw/zinc/52/51/31/1201525131.db2.gz HVNLSSMAZIVZNQ-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc3oc(=O)n(C)c3c2)O1 ZINC001130182433 1201525945 /nfs/dbraw/zinc/52/59/45/1201525945.db2.gz HJSAFJKLZYNIAZ-MLGOLLRUSA-N 2 1 362.430 0.056 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc3oc(=O)n(C)c3c2)O1 ZINC001130182433 1201525952 /nfs/dbraw/zinc/52/59/52/1201525952.db2.gz HJSAFJKLZYNIAZ-MLGOLLRUSA-N 2 1 362.430 0.056 20 0 FCADMP COc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184535 1201537701 /nfs/dbraw/zinc/53/77/01/1201537701.db2.gz URSMSIVHPOOTRY-CZUORRHYSA-N 2 1 364.446 0.059 20 0 FCADMP COc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184535 1201537708 /nfs/dbraw/zinc/53/77/08/1201537708.db2.gz URSMSIVHPOOTRY-CZUORRHYSA-N 2 1 364.446 0.059 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130232195 1201557312 /nfs/dbraw/zinc/55/73/12/1201557312.db2.gz CFVWNTWWNYPOME-OFQRWUPVSA-N 2 1 366.510 0.879 20 0 FCADMP CC(C)[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)[NH+](C)C ZINC001130232458 1201557491 /nfs/dbraw/zinc/55/74/91/1201557491.db2.gz IDVOCCMQEFVEFP-KCQAQPDRSA-N 2 1 370.473 0.439 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001130237868 1201560620 /nfs/dbraw/zinc/56/06/20/1201560620.db2.gz HITSRUSCWISRCH-ILXRZTDVSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001130237868 1201560624 /nfs/dbraw/zinc/56/06/24/1201560624.db2.gz HITSRUSCWISRCH-ILXRZTDVSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001130237868 1201560629 /nfs/dbraw/zinc/56/06/29/1201560629.db2.gz HITSRUSCWISRCH-ILXRZTDVSA-N 2 1 364.494 0.776 20 0 FCADMP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001130307709 1201582260 /nfs/dbraw/zinc/58/22/60/1201582260.db2.gz ZRTJTYHUNBBMHO-APWZRJJASA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987347 1224717104 /nfs/dbraw/zinc/71/71/04/1224717104.db2.gz PCGUYRYBJMXJRZ-XKQJLSEDSA-N 2 1 359.430 0.203 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001220058096 1224740364 /nfs/dbraw/zinc/74/03/64/1224740364.db2.gz TXNCMYITAJQWSR-QYZOEREBSA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001220058096 1224740370 /nfs/dbraw/zinc/74/03/70/1224740370.db2.gz TXNCMYITAJQWSR-QYZOEREBSA-N 2 1 365.518 0.839 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061608 1224741019 /nfs/dbraw/zinc/74/10/19/1224741019.db2.gz VDAFWBFYMJDRFJ-IPELMVKDSA-N 2 1 363.502 0.727 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130719296 1202765560 /nfs/dbraw/zinc/76/55/60/1202765560.db2.gz IBMZGLYFSBDGMK-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130733926 1202767987 /nfs/dbraw/zinc/76/79/87/1202767987.db2.gz AJCMYXFPJTUONW-CGTJXYLNSA-N 2 1 363.506 0.561 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130736784 1202769485 /nfs/dbraw/zinc/76/94/85/1202769485.db2.gz OCYUNYSAJMCDFI-XYJFISCASA-N 2 1 363.506 0.681 20 0 FCADMP O=C([C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205975 1202877747 /nfs/dbraw/zinc/87/77/47/1202877747.db2.gz AATNWOWSUABDND-BEFAXECRSA-N 2 1 362.474 0.805 20 0 FCADMP O=C([C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205975 1202877751 /nfs/dbraw/zinc/87/77/51/1202877751.db2.gz AATNWOWSUABDND-BEFAXECRSA-N 2 1 362.474 0.805 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086664295 1202881337 /nfs/dbraw/zinc/88/13/37/1202881337.db2.gz HQYGEKPFQIHGEA-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086664295 1202881341 /nfs/dbraw/zinc/88/13/41/1202881341.db2.gz HQYGEKPFQIHGEA-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316139 1202885435 /nfs/dbraw/zinc/88/54/35/1202885435.db2.gz CLPFJBPLKZIHRL-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001131461934 1202899520 /nfs/dbraw/zinc/89/95/20/1202899520.db2.gz XRMDFIVQYNMQDP-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461934 1202899521 /nfs/dbraw/zinc/89/95/21/1202899521.db2.gz XRMDFIVQYNMQDP-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001131464477 1202900148 /nfs/dbraw/zinc/90/01/48/1202900148.db2.gz SKPXDHVSYKMOKV-RYRKJORJSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131597211 1202919684 /nfs/dbraw/zinc/91/96/84/1202919684.db2.gz QSGKMTIRGNBYPN-LESCRADOSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962808 1202938380 /nfs/dbraw/zinc/93/83/80/1202938380.db2.gz KQXPZZDQTRPOPB-VQIMIIECSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962808 1202938382 /nfs/dbraw/zinc/93/83/82/1202938382.db2.gz KQXPZZDQTRPOPB-VQIMIIECSA-N 2 1 370.538 0.974 20 0 FCADMP [NH3+]C1CCN(c2nc(N[C@@H](Cc3ccc(O)cc3)C(O)O)cc[nH+]2)CC1 ZINC001170848578 1203082922 /nfs/dbraw/zinc/08/29/22/1203082922.db2.gz XDHVZPKVRNXJBR-HNNXBMFYSA-N 2 1 359.430 0.444 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001086785227 1203092571 /nfs/dbraw/zinc/09/25/71/1203092571.db2.gz OWDLYJRJWLIMFE-KSZLIROESA-N 2 1 363.506 0.867 20 0 FCADMP C[C@@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861638 1203100296 /nfs/dbraw/zinc/10/02/96/1203100296.db2.gz FLDSIDWIPRHZLQ-RRFJBIMHSA-N 2 1 367.494 0.143 20 0 FCADMP CC[NH+]1CCC([N@@H+]2CCCN(Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000817373350 1203102286 /nfs/dbraw/zinc/10/22/86/1203102286.db2.gz OUXCNYKOQIJCSE-UHFFFAOYSA-N 2 1 362.522 0.831 20 0 FCADMP CC[NH+]1CCC([N@H+]2CCCN(Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000817373350 1203102287 /nfs/dbraw/zinc/10/22/87/1203102287.db2.gz OUXCNYKOQIJCSE-UHFFFAOYSA-N 2 1 362.522 0.831 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000823131858 1203251473 /nfs/dbraw/zinc/25/14/73/1203251473.db2.gz ZAFFFYDTUQKCRH-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000824928722 1203305631 /nfs/dbraw/zinc/30/56/31/1203305631.db2.gz LKHZMXLOQCTVBL-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090881037 1203329393 /nfs/dbraw/zinc/32/93/93/1203329393.db2.gz WEMOHYWXWUGOPC-ZYSHUDEJSA-N 2 1 361.486 0.913 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC1 ZINC001220230663 1224811078 /nfs/dbraw/zinc/81/10/78/1224811078.db2.gz MNGUYGMNHHHASR-CVEARBPZSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)CC1 ZINC001220230663 1224811080 /nfs/dbraw/zinc/81/10/80/1224811080.db2.gz MNGUYGMNHHHASR-CVEARBPZSA-N 2 1 359.430 0.226 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1 ZINC001220229277 1224811199 /nfs/dbraw/zinc/81/11/99/1224811199.db2.gz VQMZGEBNEPAHSI-MSOLQXFVSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1 ZINC001220229277 1224811203 /nfs/dbraw/zinc/81/12/03/1224811203.db2.gz VQMZGEBNEPAHSI-MSOLQXFVSA-N 2 1 361.486 0.836 20 0 FCADMP CC1(C)OCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)CO1 ZINC001220271092 1224817920 /nfs/dbraw/zinc/81/79/20/1224817920.db2.gz SSIVAZAABGSFCR-QGZVFWFLSA-N 2 1 359.470 0.976 20 0 FCADMP CC1(C)OCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)CO1 ZINC001220271092 1224817925 /nfs/dbraw/zinc/81/79/25/1224817925.db2.gz SSIVAZAABGSFCR-QGZVFWFLSA-N 2 1 359.470 0.976 20 0 FCADMP CCOc1ccc(OCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220273357 1224818998 /nfs/dbraw/zinc/81/89/98/1224818998.db2.gz IZZNBPCSOSHABL-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCOc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220273357 1224819000 /nfs/dbraw/zinc/81/90/00/1224819000.db2.gz IZZNBPCSOSHABL-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221181 1204379208 /nfs/dbraw/zinc/37/92/08/1204379208.db2.gz JQPOYLSCPRHXFG-DOTOQJQBSA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221181 1204379213 /nfs/dbraw/zinc/37/92/13/1204379213.db2.gz JQPOYLSCPRHXFG-DOTOQJQBSA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221185 1204379539 /nfs/dbraw/zinc/37/95/39/1204379539.db2.gz JQPOYLSCPRHXFG-WBVHZDCISA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1ccccn1 ZINC000844221185 1204379542 /nfs/dbraw/zinc/37/95/42/1204379542.db2.gz JQPOYLSCPRHXFG-WBVHZDCISA-N 2 1 359.474 0.278 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336365 1224832118 /nfs/dbraw/zinc/83/21/18/1224832118.db2.gz RNCBUBBBHHANHV-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336365 1224832122 /nfs/dbraw/zinc/83/21/22/1224832122.db2.gz RNCBUBBBHHANHV-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091112993 1204511048 /nfs/dbraw/zinc/51/10/48/1204511048.db2.gz RYCZALJENRLSQJ-SJORKVTESA-N 2 1 361.490 0.889 20 0 FCADMP COc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001091096424 1204513469 /nfs/dbraw/zinc/51/34/69/1204513469.db2.gz SALAXHIDGPMGKT-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001091096424 1204513471 /nfs/dbraw/zinc/51/34/71/1204513471.db2.gz SALAXHIDGPMGKT-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000846143274 1204595976 /nfs/dbraw/zinc/59/59/76/1204595976.db2.gz DDDAPIPZGSNEAQ-SFFUCWETSA-N 2 1 366.506 0.778 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846512074 1204635535 /nfs/dbraw/zinc/63/55/35/1204635535.db2.gz WUXJTHUPDUUQJO-CABCVRRESA-N 2 1 370.494 0.109 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846512074 1204635537 /nfs/dbraw/zinc/63/55/37/1204635537.db2.gz WUXJTHUPDUUQJO-CABCVRRESA-N 2 1 370.494 0.109 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(N3CC[NH+](C)CC3)ncn2)c1 ZINC001144933197 1204660411 /nfs/dbraw/zinc/66/04/11/1204660411.db2.gz MBUKKDJDDRBUKT-INIZCTEOSA-N 2 1 370.457 0.746 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001144935751 1204661452 /nfs/dbraw/zinc/66/14/52/1204661452.db2.gz JTJGTTPMMWULKH-OTWHNJEPSA-N 2 1 359.470 0.887 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846836927 1204669179 /nfs/dbraw/zinc/66/91/79/1204669179.db2.gz JECKQFZYUKCSPQ-IBGZPJMESA-N 2 1 370.538 0.928 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543184 1204707981 /nfs/dbraw/zinc/70/79/81/1204707981.db2.gz FBYNEOZZPHFKJO-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543184 1204707982 /nfs/dbraw/zinc/70/79/82/1204707982.db2.gz FBYNEOZZPHFKJO-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543184 1204707985 /nfs/dbraw/zinc/70/79/85/1204707985.db2.gz FBYNEOZZPHFKJO-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091678781 1204818138 /nfs/dbraw/zinc/81/81/38/1204818138.db2.gz OKRSOVNOZFIUMY-FCEWJHQRSA-N 2 1 363.506 0.874 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678144 1204818355 /nfs/dbraw/zinc/81/83/55/1204818355.db2.gz YKAQJTIBAOLSEO-SUMDDJOVSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678144 1204818356 /nfs/dbraw/zinc/81/83/56/1204818356.db2.gz YKAQJTIBAOLSEO-SUMDDJOVSA-N 2 1 358.490 0.437 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387689 1224853667 /nfs/dbraw/zinc/85/36/67/1224853667.db2.gz NWXLNMNXAQJOHE-KURKYZTESA-N 2 1 371.522 0.464 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091687279 1204822786 /nfs/dbraw/zinc/82/27/86/1204822786.db2.gz YUIWMZRWCCJHOK-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091687279 1204822788 /nfs/dbraw/zinc/82/27/88/1204822788.db2.gz YUIWMZRWCCJHOK-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091687279 1204822790 /nfs/dbraw/zinc/82/27/90/1204822790.db2.gz YUIWMZRWCCJHOK-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091687279 1204822791 /nfs/dbraw/zinc/82/27/91/1204822791.db2.gz YUIWMZRWCCJHOK-XZKMEQPCSA-N 2 1 360.506 0.826 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742685 1204838934 /nfs/dbraw/zinc/83/89/34/1204838934.db2.gz FRXZRWOTAAIPPT-BEFAXECRSA-N 2 1 363.506 0.276 20 0 FCADMP Cn1ncc(CN2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091754191 1204844116 /nfs/dbraw/zinc/84/41/16/1204844116.db2.gz IFYWXCCZXXLXMS-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)C1 ZINC001086880557 1204856245 /nfs/dbraw/zinc/85/62/45/1204856245.db2.gz FQJREAOOCNSZCL-LZLYRXPVSA-N 2 1 363.506 0.824 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)C1 ZINC001086880557 1204856247 /nfs/dbraw/zinc/85/62/47/1204856247.db2.gz FQJREAOOCNSZCL-LZLYRXPVSA-N 2 1 363.506 0.824 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086880661 1204856334 /nfs/dbraw/zinc/85/63/34/1204856334.db2.gz JJADSXXPIMDUIO-XHSDSOJGSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880661 1204856336 /nfs/dbraw/zinc/85/63/36/1204856336.db2.gz JJADSXXPIMDUIO-XHSDSOJGSA-N 2 1 364.494 0.393 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001086970269 1204869036 /nfs/dbraw/zinc/86/90/36/1204869036.db2.gz IDQDSFUYLYHYCC-GVDBMIGSSA-N 2 1 358.446 0.587 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001086970269 1204869038 /nfs/dbraw/zinc/86/90/38/1204869038.db2.gz IDQDSFUYLYHYCC-GVDBMIGSSA-N 2 1 358.446 0.587 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001086970748 1204869917 /nfs/dbraw/zinc/86/99/17/1204869917.db2.gz GWJALTRGRYUXIL-BBWFWOEESA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001086970748 1204869918 /nfs/dbraw/zinc/86/99/18/1204869918.db2.gz GWJALTRGRYUXIL-BBWFWOEESA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001086971020 1204870685 /nfs/dbraw/zinc/87/06/85/1204870685.db2.gz SWUQYGLOIQIZME-RCCFBDPRSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086985941 1204880556 /nfs/dbraw/zinc/88/05/56/1204880556.db2.gz MIDINWJJNBKDRW-KSZLIROESA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001087009572 1204897259 /nfs/dbraw/zinc/89/72/59/1204897259.db2.gz NKVDZAJZOOEYKV-DLBZAZTESA-N 2 1 358.446 0.588 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001087009833 1204897580 /nfs/dbraw/zinc/89/75/80/1204897580.db2.gz AENQYVCOBDKISJ-KSZLIROESA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001087009833 1204897581 /nfs/dbraw/zinc/89/75/81/1204897581.db2.gz AENQYVCOBDKISJ-KSZLIROESA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001087011312 1204898230 /nfs/dbraw/zinc/89/82/30/1204898230.db2.gz OUWMBQMDQKCPHX-IPMKNSEASA-N 2 1 371.485 0.599 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087034987 1204911170 /nfs/dbraw/zinc/91/11/70/1204911170.db2.gz GNXFJIBMNBVTPV-KZNAEPCWSA-N 2 1 363.506 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001087038778 1204916699 /nfs/dbraw/zinc/91/66/99/1204916699.db2.gz ZASBRSCVXXSMKP-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001087038778 1204916704 /nfs/dbraw/zinc/91/67/04/1204916704.db2.gz ZASBRSCVXXSMKP-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087083546 1204970955 /nfs/dbraw/zinc/97/09/55/1204970955.db2.gz KEUHWQGCRVQQIZ-ARFHVFGLSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083497 1204970961 /nfs/dbraw/zinc/97/09/61/1204970961.db2.gz HVRLKKWXUXLCGL-ZMSDIMECSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083564 1204971493 /nfs/dbraw/zinc/97/14/93/1204971493.db2.gz KVHLMUUWBCNVLF-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083798 1204972098 /nfs/dbraw/zinc/97/20/98/1204972098.db2.gz SVNDMYKJAAEMAY-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083905 1204972744 /nfs/dbraw/zinc/97/27/44/1204972744.db2.gz XHFAMAGQSOGQCV-GVDBMIGSSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087100974 1204996927 /nfs/dbraw/zinc/99/69/27/1204996927.db2.gz NJBPRUMPMAGQFD-LZLYRXPVSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087101131 1204997393 /nfs/dbraw/zinc/99/73/93/1204997393.db2.gz VALOZFNYIWOYRC-ZMSDIMECSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](C)c1nc(C)no1 ZINC001087101580 1205000020 /nfs/dbraw/zinc/00/00/20/1205000020.db2.gz RMRUYZNTSWZVPK-FVQBIDKESA-N 2 1 365.478 0.988 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087096696 1205004418 /nfs/dbraw/zinc/00/44/18/1205004418.db2.gz XTCRKHCRGHVYFR-LZLYRXPVSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087096545 1205004927 /nfs/dbraw/zinc/00/49/27/1205004927.db2.gz RKMVUSFOTJWVDT-BZUAXINKSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087096545 1205004931 /nfs/dbraw/zinc/00/49/31/1205004931.db2.gz RKMVUSFOTJWVDT-BZUAXINKSA-N 2 1 365.478 0.673 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787576 1205012914 /nfs/dbraw/zinc/01/29/14/1205012914.db2.gz GAOBSSXPCHNLKJ-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787576 1205012918 /nfs/dbraw/zinc/01/29/18/1205012918.db2.gz GAOBSSXPCHNLKJ-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091787576 1205012921 /nfs/dbraw/zinc/01/29/21/1205012921.db2.gz GAOBSSXPCHNLKJ-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807676 1205020954 /nfs/dbraw/zinc/02/09/54/1205020954.db2.gz OUUSYBGPIJUIRQ-KUHUBIRLSA-N 2 1 355.442 0.783 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091777210 1205024495 /nfs/dbraw/zinc/02/44/95/1205024495.db2.gz SCERAAGXGZXUDR-GJYPPUQNSA-N 2 1 360.502 0.531 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783208 1205027541 /nfs/dbraw/zinc/02/75/41/1205027541.db2.gz WBWIXZLDTISFSM-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783208 1205027546 /nfs/dbraw/zinc/02/75/46/1205027546.db2.gz WBWIXZLDTISFSM-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783208 1205027548 /nfs/dbraw/zinc/02/75/48/1205027548.db2.gz WBWIXZLDTISFSM-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783208 1205027550 /nfs/dbraw/zinc/02/75/50/1205027550.db2.gz WBWIXZLDTISFSM-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091856621 1205051696 /nfs/dbraw/zinc/05/16/96/1205051696.db2.gz VPGHNQKNKXLBSR-OGWOLHLISA-N 2 1 353.426 0.617 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001091857684 1205052863 /nfs/dbraw/zinc/05/28/63/1205052863.db2.gz RMRBPPUUOTVIGX-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001091857684 1205052869 /nfs/dbraw/zinc/05/28/69/1205052869.db2.gz RMRBPPUUOTVIGX-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CC1CCOCC1)C2 ZINC001092099148 1205155006 /nfs/dbraw/zinc/15/50/06/1205155006.db2.gz HNIGBLJYTCSWPP-QUCCMNQESA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CC1CCOCC1)C2 ZINC001092099148 1205155008 /nfs/dbraw/zinc/15/50/08/1205155008.db2.gz HNIGBLJYTCSWPP-QUCCMNQESA-N 2 1 365.518 0.916 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101406 1205157822 /nfs/dbraw/zinc/15/78/22/1205157822.db2.gz CBGLJHTVXWBVDY-MJGOQNOKSA-N 2 1 362.474 0.986 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101406 1205157829 /nfs/dbraw/zinc/15/78/29/1205157829.db2.gz CBGLJHTVXWBVDY-MJGOQNOKSA-N 2 1 362.474 0.986 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)cn1 ZINC001092101575 1205158063 /nfs/dbraw/zinc/15/80/63/1205158063.db2.gz KPDOREFQNFSCAG-MJGOQNOKSA-N 2 1 361.490 0.423 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)cn1 ZINC001092101575 1205158068 /nfs/dbraw/zinc/15/80/68/1205158068.db2.gz KPDOREFQNFSCAG-MJGOQNOKSA-N 2 1 361.490 0.423 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201101 1205195767 /nfs/dbraw/zinc/19/57/67/1205195767.db2.gz VNDVILAWJNXJDH-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201101 1205195774 /nfs/dbraw/zinc/19/57/74/1205195774.db2.gz VNDVILAWJNXJDH-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201101 1205195781 /nfs/dbraw/zinc/19/57/81/1205195781.db2.gz VNDVILAWJNXJDH-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092201101 1205195788 /nfs/dbraw/zinc/19/57/88/1205195788.db2.gz VNDVILAWJNXJDH-MDZRGWNJSA-N 2 1 360.506 0.920 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200731 1205196568 /nfs/dbraw/zinc/19/65/68/1205196568.db2.gz NLRISUOETLZUSU-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200731 1205196569 /nfs/dbraw/zinc/19/65/69/1205196569.db2.gz NLRISUOETLZUSU-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092200731 1205196570 /nfs/dbraw/zinc/19/65/70/1205196570.db2.gz NLRISUOETLZUSU-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273433 1205221278 /nfs/dbraw/zinc/22/12/78/1205221278.db2.gz NVZWHLKSBQPRPL-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273433 1205221290 /nfs/dbraw/zinc/22/12/90/1205221290.db2.gz NVZWHLKSBQPRPL-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273433 1205221294 /nfs/dbraw/zinc/22/12/94/1205221294.db2.gz NVZWHLKSBQPRPL-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001092278449 1205224563 /nfs/dbraw/zinc/22/45/63/1205224563.db2.gz PXHAHPUQERSXHU-APWZRJJASA-N 2 1 356.474 0.948 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001092278449 1205224568 /nfs/dbraw/zinc/22/45/68/1205224568.db2.gz PXHAHPUQERSXHU-APWZRJJASA-N 2 1 356.474 0.948 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001092278826 1205225393 /nfs/dbraw/zinc/22/53/93/1205225393.db2.gz ZNTZWVUVMKOFCO-MJGOQNOKSA-N 2 1 356.474 0.948 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001092278826 1205225400 /nfs/dbraw/zinc/22/54/00/1205225400.db2.gz ZNTZWVUVMKOFCO-MJGOQNOKSA-N 2 1 356.474 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286405 1205252265 /nfs/dbraw/zinc/25/22/65/1205252265.db2.gz AFDWRTGOURLIQI-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286405 1205252267 /nfs/dbraw/zinc/25/22/67/1205252267.db2.gz AFDWRTGOURLIQI-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286405 1205252270 /nfs/dbraw/zinc/25/22/70/1205252270.db2.gz AFDWRTGOURLIQI-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)C1 ZINC001092286405 1205252273 /nfs/dbraw/zinc/25/22/73/1205252273.db2.gz AFDWRTGOURLIQI-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092524553 1205303358 /nfs/dbraw/zinc/30/33/58/1205303358.db2.gz ZMQOOEBBAVWBCJ-ZTFGCOKTSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092524553 1205303360 /nfs/dbraw/zinc/30/33/60/1205303360.db2.gz ZMQOOEBBAVWBCJ-ZTFGCOKTSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092524553 1205303361 /nfs/dbraw/zinc/30/33/61/1205303361.db2.gz ZMQOOEBBAVWBCJ-ZTFGCOKTSA-N 2 1 363.506 0.515 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092524553 1205303363 /nfs/dbraw/zinc/30/33/63/1205303363.db2.gz ZMQOOEBBAVWBCJ-ZTFGCOKTSA-N 2 1 363.506 0.515 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611311 1205319815 /nfs/dbraw/zinc/31/98/15/1205319815.db2.gz RAPISNJKRGNKDR-NXHRZFHOSA-N 2 1 362.518 0.635 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909328 1205939990 /nfs/dbraw/zinc/93/99/90/1205939990.db2.gz HYJFERVNWSELCZ-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909328 1205939996 /nfs/dbraw/zinc/93/99/96/1205939996.db2.gz HYJFERVNWSELCZ-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909328 1205939999 /nfs/dbraw/zinc/93/99/99/1205939999.db2.gz HYJFERVNWSELCZ-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910636 1205940779 /nfs/dbraw/zinc/94/07/79/1205940779.db2.gz HPWNNSMGXUQPFS-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910636 1205940780 /nfs/dbraw/zinc/94/07/80/1205940780.db2.gz HPWNNSMGXUQPFS-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910636 1205940781 /nfs/dbraw/zinc/94/07/81/1205940781.db2.gz HPWNNSMGXUQPFS-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092965047 1205967351 /nfs/dbraw/zinc/96/73/51/1205967351.db2.gz CREPWGMSAWYDIM-VNQPRFMTSA-N 2 1 361.490 0.526 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092965047 1205967355 /nfs/dbraw/zinc/96/73/55/1205967355.db2.gz CREPWGMSAWYDIM-VNQPRFMTSA-N 2 1 361.490 0.526 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220547886 1224921719 /nfs/dbraw/zinc/92/17/19/1224921719.db2.gz MCGROZLBWXVDGY-KSZLIROESA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220547886 1224921730 /nfs/dbraw/zinc/92/17/30/1224921730.db2.gz MCGROZLBWXVDGY-KSZLIROESA-N 2 1 369.506 0.077 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120738 1206027218 /nfs/dbraw/zinc/02/72/18/1206027218.db2.gz LOAFZTQJIBRVFF-OLMNPRSZSA-N 2 1 362.518 0.681 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093132836 1206032578 /nfs/dbraw/zinc/03/25/78/1206032578.db2.gz BIMFRIWUPUNCIE-HUUCEWRRSA-N 2 1 359.474 0.765 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195177 1206052335 /nfs/dbraw/zinc/05/23/35/1206052335.db2.gz MWDLRLSVBGSTFX-HYVNUMGLSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195177 1206052340 /nfs/dbraw/zinc/05/23/40/1206052340.db2.gz MWDLRLSVBGSTFX-HYVNUMGLSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195177 1206052345 /nfs/dbraw/zinc/05/23/45/1206052345.db2.gz MWDLRLSVBGSTFX-HYVNUMGLSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195177 1206052350 /nfs/dbraw/zinc/05/23/50/1206052350.db2.gz MWDLRLSVBGSTFX-HYVNUMGLSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193575 1206052677 /nfs/dbraw/zinc/05/26/77/1206052677.db2.gz KOXZFRHFPLRQRE-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193575 1206052681 /nfs/dbraw/zinc/05/26/81/1206052681.db2.gz KOXZFRHFPLRQRE-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193575 1206052686 /nfs/dbraw/zinc/05/26/86/1206052686.db2.gz KOXZFRHFPLRQRE-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001093281206 1206071555 /nfs/dbraw/zinc/07/15/55/1206071555.db2.gz OZPNTUZZBLPULS-YUELXQCFSA-N 2 1 361.446 0.071 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093281610 1206071602 /nfs/dbraw/zinc/07/16/02/1206071602.db2.gz SJTPBKJOJYGONC-IIAWOOMASA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093281608 1206071747 /nfs/dbraw/zinc/07/17/47/1206071747.db2.gz SJTPBKJOJYGONC-FMKPAKJESA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H]4CCOC4)nn3)C2)CC[N@H+]1C ZINC001093322712 1206074952 /nfs/dbraw/zinc/07/49/52/1206074952.db2.gz QNZRHGMJTDERAP-CKEIUWERSA-N 2 1 362.478 0.128 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001093672744 1206099326 /nfs/dbraw/zinc/09/93/26/1206099326.db2.gz CBQGBKGVJMWQJK-FVQBIDKESA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001093673694 1206099662 /nfs/dbraw/zinc/09/96/62/1206099662.db2.gz UVYFDWCQCOJEPO-BMFZPTHFSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001093673001 1206099681 /nfs/dbraw/zinc/09/96/81/1206099681.db2.gz HYYHFXYNTDYTKK-KFWWJZLASA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001093673451 1206099860 /nfs/dbraw/zinc/09/98/60/1206099860.db2.gz QPUPOMZNHAJTAX-KFWWJZLASA-N 2 1 362.478 0.087 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857684 1206135802 /nfs/dbraw/zinc/13/58/02/1206135802.db2.gz ROKJRVNDBIPIOJ-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857684 1206135807 /nfs/dbraw/zinc/13/58/07/1206135807.db2.gz ROKJRVNDBIPIOJ-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093863922 1206136718 /nfs/dbraw/zinc/13/67/18/1206136718.db2.gz APKOYLGTKQBDRL-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001094041024 1206174324 /nfs/dbraw/zinc/17/43/24/1206174324.db2.gz UNAFDQFNBNBKAM-QLFBSQMISA-N 2 1 365.478 0.884 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)C2 ZINC001094043262 1206175182 /nfs/dbraw/zinc/17/51/82/1206175182.db2.gz DKXXBQPHBBRGGM-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094114048 1206186503 /nfs/dbraw/zinc/18/65/03/1206186503.db2.gz NZUKKFVBAZARIO-HZPDHXFCSA-N 2 1 364.494 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094219149 1206202936 /nfs/dbraw/zinc/20/29/36/1206202936.db2.gz FQNKFNYQTSFQEQ-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC001094222808 1206203721 /nfs/dbraw/zinc/20/37/21/1206203721.db2.gz NSNFZQSOEHCLMD-OIISXLGYSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001094221264 1206203902 /nfs/dbraw/zinc/20/39/02/1206203902.db2.gz AUJNQKNTWLQEMJ-UKRRQHHQSA-N 2 1 363.441 0.637 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)n1 ZINC001094417261 1206224196 /nfs/dbraw/zinc/22/41/96/1206224196.db2.gz POQDGOFLKSABEK-IEBWSBKVSA-N 2 1 363.506 0.802 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001094433112 1206225617 /nfs/dbraw/zinc/22/56/17/1206225617.db2.gz RBXMTGFFAAWVKA-NLWGTHIKSA-N 2 1 365.518 0.983 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001094433112 1206225618 /nfs/dbraw/zinc/22/56/18/1206225618.db2.gz RBXMTGFFAAWVKA-NLWGTHIKSA-N 2 1 365.518 0.983 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001094433112 1206225619 /nfs/dbraw/zinc/22/56/19/1206225619.db2.gz RBXMTGFFAAWVKA-NLWGTHIKSA-N 2 1 365.518 0.983 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCCC2=O)CC3)C1 ZINC001094577036 1206239809 /nfs/dbraw/zinc/23/98/09/1206239809.db2.gz AFIISFUDSDJRLG-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCCC2=O)CC3)C1 ZINC001094577036 1206239813 /nfs/dbraw/zinc/23/98/13/1206239813.db2.gz AFIISFUDSDJRLG-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCN2CCCC2=O)CC3)C1 ZINC001094577036 1206239816 /nfs/dbraw/zinc/23/98/16/1206239816.db2.gz AFIISFUDSDJRLG-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCNC2=O)CC3)C1 ZINC001094578385 1206240425 /nfs/dbraw/zinc/24/04/25/1206240425.db2.gz URDVOLKCKSNFBY-GPMSIDNRSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCNC2=O)CC3)C1 ZINC001094578385 1206240426 /nfs/dbraw/zinc/24/04/26/1206240426.db2.gz URDVOLKCKSNFBY-GPMSIDNRSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCN2CCNC2=O)CC3)C1 ZINC001094578385 1206240427 /nfs/dbraw/zinc/24/04/27/1206240427.db2.gz URDVOLKCKSNFBY-GPMSIDNRSA-N 2 1 363.506 0.324 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CCC4)C3)C2)CC[N@H+]1C ZINC001094740709 1206245686 /nfs/dbraw/zinc/24/56/86/1206245686.db2.gz SJPHDMTXBDABSN-BPQIPLTHSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485749 1206249480 /nfs/dbraw/zinc/24/94/80/1206249480.db2.gz DGRZBQDIQYYINF-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485749 1206249483 /nfs/dbraw/zinc/24/94/83/1206249483.db2.gz DGRZBQDIQYYINF-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](CCCC[NH2+]CCc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171499709 1206249496 /nfs/dbraw/zinc/24/94/96/1206249496.db2.gz FVIBTAACDNMOBJ-JFIYKMOQSA-N 2 1 365.522 0.946 20 0 FCADMP C[C@H](CCCC[NH2+]CCc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171499709 1206249498 /nfs/dbraw/zinc/24/94/98/1206249498.db2.gz FVIBTAACDNMOBJ-JFIYKMOQSA-N 2 1 365.522 0.946 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487641 1206249516 /nfs/dbraw/zinc/24/95/16/1206249516.db2.gz XDOOOYLXEJRZSU-BZUAXINKSA-N 2 1 370.538 0.885 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487641 1206249519 /nfs/dbraw/zinc/24/95/19/1206249519.db2.gz XDOOOYLXEJRZSU-BZUAXINKSA-N 2 1 370.538 0.885 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171720476 1206251173 /nfs/dbraw/zinc/25/11/73/1206251173.db2.gz PVUFAFBGEHHLKV-ZIAGYGMSSA-N 2 1 368.478 0.665 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171720476 1206251175 /nfs/dbraw/zinc/25/11/75/1206251175.db2.gz PVUFAFBGEHHLKV-ZIAGYGMSSA-N 2 1 368.478 0.665 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171720470 1206251361 /nfs/dbraw/zinc/25/13/61/1206251361.db2.gz PVUFAFBGEHHLKV-KGLIPLIRSA-N 2 1 368.478 0.665 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171720470 1206251363 /nfs/dbraw/zinc/25/13/63/1206251363.db2.gz PVUFAFBGEHHLKV-KGLIPLIRSA-N 2 1 368.478 0.665 20 0 FCADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220570862 1224939080 /nfs/dbraw/zinc/93/90/80/1224939080.db2.gz BPEBZHYYVOSCDF-JXFKEZNVSA-N 2 1 356.470 0.161 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749454 1206287159 /nfs/dbraw/zinc/28/71/59/1206287159.db2.gz CQERKFQXAKDMJE-BRSBDYLESA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749454 1206287161 /nfs/dbraw/zinc/28/71/61/1206287161.db2.gz CQERKFQXAKDMJE-BRSBDYLESA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749454 1206287163 /nfs/dbraw/zinc/28/71/63/1206287163.db2.gz CQERKFQXAKDMJE-BRSBDYLESA-N 2 1 364.494 0.826 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736274 1206364246 /nfs/dbraw/zinc/36/42/46/1206364246.db2.gz SIOKYLULNLKFAC-LUKYLMHMSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001178949469 1206368392 /nfs/dbraw/zinc/36/83/92/1206368392.db2.gz AFIZIJPXZBRNIL-UHFFFAOYSA-N 2 1 357.458 0.090 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885041 1206416992 /nfs/dbraw/zinc/41/69/92/1206416992.db2.gz QAFVHFJPADFRER-YKTARERQSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885041 1206416994 /nfs/dbraw/zinc/41/69/94/1206416994.db2.gz QAFVHFJPADFRER-YKTARERQSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)C1 ZINC001181973700 1206418890 /nfs/dbraw/zinc/41/88/90/1206418890.db2.gz SZSZBBDQYFXUDK-MRXNPFEDSA-N 2 1 361.490 0.674 20 0 FCADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410433 1206496887 /nfs/dbraw/zinc/49/68/87/1206496887.db2.gz VVLSOARDYOFHFA-IXDOHACOSA-N 2 1 369.506 0.197 20 0 FCADMP COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410433 1206496889 /nfs/dbraw/zinc/49/68/89/1206496889.db2.gz VVLSOARDYOFHFA-IXDOHACOSA-N 2 1 369.506 0.197 20 0 FCADMP CC(=O)N1CC(NC(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C1 ZINC001220599408 1224959300 /nfs/dbraw/zinc/95/93/00/1224959300.db2.gz WBISSKRQBBHCGY-WIYYLYMNSA-N 2 1 370.497 0.835 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001220642469 1224980824 /nfs/dbraw/zinc/98/08/24/1224980824.db2.gz CEWCTUQCDOVSLT-MSOLQXFVSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001220642469 1224980827 /nfs/dbraw/zinc/98/08/27/1224980827.db2.gz CEWCTUQCDOVSLT-MSOLQXFVSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)C1 ZINC001220651955 1224990128 /nfs/dbraw/zinc/99/01/28/1224990128.db2.gz STSFUKFXZRAVKF-QGZVFWFLSA-N 2 1 359.518 0.785 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958046 1207405283 /nfs/dbraw/zinc/40/52/83/1207405283.db2.gz GXSJFHVEBYFXNZ-YYIAUSFCSA-N 2 1 365.522 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958046 1207405287 /nfs/dbraw/zinc/40/52/87/1207405287.db2.gz GXSJFHVEBYFXNZ-YYIAUSFCSA-N 2 1 365.522 0.567 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321943 1207442880 /nfs/dbraw/zinc/44/28/80/1207442880.db2.gz BBNIXBWMQFJBLH-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)CC(=O)N(C)C1CC1 ZINC001273560676 1207451283 /nfs/dbraw/zinc/45/12/83/1207451283.db2.gz PMTCXXUTQBNYMA-HZPDHXFCSA-N 2 1 361.490 0.925 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405854 1207454297 /nfs/dbraw/zinc/45/42/97/1207454297.db2.gz QTVNCGRZHUHZGI-CGTJXYLNSA-N 2 1 371.485 0.671 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405522 1207454327 /nfs/dbraw/zinc/45/43/27/1207454327.db2.gz JXQLXCXXNLRXFG-FUHWJXTLSA-N 2 1 371.485 0.673 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405522 1207454333 /nfs/dbraw/zinc/45/43/33/1207454333.db2.gz JXQLXCXXNLRXFG-FUHWJXTLSA-N 2 1 371.485 0.673 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188561381 1207463166 /nfs/dbraw/zinc/46/31/66/1207463166.db2.gz DBPKYPQDBBKRAS-SLEUVZQESA-N 2 1 370.413 0.064 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188561381 1207463167 /nfs/dbraw/zinc/46/31/67/1207463167.db2.gz DBPKYPQDBBKRAS-SLEUVZQESA-N 2 1 370.413 0.064 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026459 1207500448 /nfs/dbraw/zinc/50/04/48/1207500448.db2.gz OKPUSBPNCLTJLN-YQQAZPJKSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026459 1207500455 /nfs/dbraw/zinc/50/04/55/1207500455.db2.gz OKPUSBPNCLTJLN-YQQAZPJKSA-N 2 1 362.474 0.769 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189127328 1207509474 /nfs/dbraw/zinc/50/94/74/1207509474.db2.gz UKWNTENGGLAKGV-FRQCXROJSA-N 2 1 371.497 0.741 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001189127328 1207509475 /nfs/dbraw/zinc/50/94/75/1207509475.db2.gz UKWNTENGGLAKGV-FRQCXROJSA-N 2 1 371.497 0.741 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001189127328 1207509476 /nfs/dbraw/zinc/50/94/76/1207509476.db2.gz UKWNTENGGLAKGV-FRQCXROJSA-N 2 1 371.497 0.741 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001189820144 1207606693 /nfs/dbraw/zinc/60/66/93/1207606693.db2.gz RVAHIPITURFNTC-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189913712 1207619893 /nfs/dbraw/zinc/61/98/93/1207619893.db2.gz XGVNKZRWLRBHSJ-RCCFBDPRSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189913712 1207619900 /nfs/dbraw/zinc/61/99/00/1207619900.db2.gz XGVNKZRWLRBHSJ-RCCFBDPRSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189913712 1207619906 /nfs/dbraw/zinc/61/99/06/1207619906.db2.gz XGVNKZRWLRBHSJ-RCCFBDPRSA-N 2 1 363.506 0.509 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687285 1225012620 /nfs/dbraw/zinc/01/26/20/1225012620.db2.gz LLDDOEVCBJOSKJ-QGZVFWFLSA-N 2 1 358.486 0.883 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238454 1207666371 /nfs/dbraw/zinc/66/63/71/1207666371.db2.gz NCEVOFMYYNGBFD-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238454 1207666377 /nfs/dbraw/zinc/66/63/77/1207666377.db2.gz NCEVOFMYYNGBFD-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238454 1207666381 /nfs/dbraw/zinc/66/63/81/1207666381.db2.gz NCEVOFMYYNGBFD-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238454 1207666386 /nfs/dbraw/zinc/66/63/86/1207666386.db2.gz NCEVOFMYYNGBFD-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687284 1225013358 /nfs/dbraw/zinc/01/33/58/1225013358.db2.gz LLDDOEVCBJOSKJ-KRWDZBQOSA-N 2 1 358.486 0.883 20 0 FCADMP CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801779 1207809736 /nfs/dbraw/zinc/80/97/36/1207809736.db2.gz GKWPXAWMJNWOKP-JHJVBQTASA-N 2 1 353.385 0.211 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801779 1207809737 /nfs/dbraw/zinc/80/97/37/1207809737.db2.gz GKWPXAWMJNWOKP-JHJVBQTASA-N 2 1 353.385 0.211 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801779 1207809738 /nfs/dbraw/zinc/80/97/38/1207809738.db2.gz GKWPXAWMJNWOKP-JHJVBQTASA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801779 1207809739 /nfs/dbraw/zinc/80/97/39/1207809739.db2.gz GKWPXAWMJNWOKP-JHJVBQTASA-N 2 1 353.385 0.211 20 0 FCADMP CC[N@@H+](C)CC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001273659363 1207876155 /nfs/dbraw/zinc/87/61/55/1207876155.db2.gz BUZONQVTHNUHOQ-RDTXWAMCSA-N 2 1 362.478 0.183 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737641 1207886603 /nfs/dbraw/zinc/88/66/03/1207886603.db2.gz DHTRCHQAFBZGTQ-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193737641 1207886604 /nfs/dbraw/zinc/88/66/04/1207886604.db2.gz DHTRCHQAFBZGTQ-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193737641 1207886607 /nfs/dbraw/zinc/88/66/07/1207886607.db2.gz DHTRCHQAFBZGTQ-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193782482 1207888808 /nfs/dbraw/zinc/88/88/08/1207888808.db2.gz ZUXLJUPRXYYHSG-QRVBRYPASA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193782482 1207888809 /nfs/dbraw/zinc/88/88/09/1207888809.db2.gz ZUXLJUPRXYYHSG-QRVBRYPASA-N 2 1 361.486 0.835 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791734 1207889532 /nfs/dbraw/zinc/88/95/32/1207889532.db2.gz QCUKHNRPQFAWBW-GUDVDZBRSA-N 2 1 361.486 0.739 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001194102362 1207919473 /nfs/dbraw/zinc/91/94/73/1207919473.db2.gz IQZFSJPFGUTWNH-QZTJIDSGSA-N 2 1 361.486 0.706 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195006389 1207988773 /nfs/dbraw/zinc/98/87/73/1207988773.db2.gz HPRVLNZQDCQVFD-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195006389 1207988775 /nfs/dbraw/zinc/98/87/75/1207988775.db2.gz HPRVLNZQDCQVFD-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195871275 1208045297 /nfs/dbraw/zinc/04/52/97/1208045297.db2.gz PNHVHFPWJWGIQZ-IAGOWNOFSA-N 2 1 362.474 0.001 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195871275 1208045298 /nfs/dbraw/zinc/04/52/98/1208045298.db2.gz PNHVHFPWJWGIQZ-IAGOWNOFSA-N 2 1 362.474 0.001 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185233 1208059802 /nfs/dbraw/zinc/05/98/02/1208059802.db2.gz RZPIVJIIQITYRW-IAGOWNOFSA-N 2 1 366.462 0.472 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185233 1208059806 /nfs/dbraw/zinc/05/98/06/1208059806.db2.gz RZPIVJIIQITYRW-IAGOWNOFSA-N 2 1 366.462 0.472 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O)[NH+](C)C ZINC001196206454 1208066043 /nfs/dbraw/zinc/06/60/43/1208066043.db2.gz CTDJDMZZCTVPSW-FGTMMUONSA-N 2 1 362.474 0.647 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O)[NH+](C)C ZINC001196206454 1208066047 /nfs/dbraw/zinc/06/60/47/1208066047.db2.gz CTDJDMZZCTVPSW-FGTMMUONSA-N 2 1 362.474 0.647 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268323 1208070009 /nfs/dbraw/zinc/07/00/09/1208070009.db2.gz GBIHFNXLUCWQIL-BRWVUGGUSA-N 2 1 368.522 0.495 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268323 1208070010 /nfs/dbraw/zinc/07/00/10/1208070010.db2.gz GBIHFNXLUCWQIL-BRWVUGGUSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308412 1208071500 /nfs/dbraw/zinc/07/15/00/1208071500.db2.gz ZCHUVMTVNWZRJY-KBAYOESNSA-N 2 1 369.506 0.218 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000722 1208127811 /nfs/dbraw/zinc/12/78/11/1208127811.db2.gz ITPFRQNNZKRESZ-DJIMGWMZSA-N 2 1 368.522 0.327 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197049328 1208131039 /nfs/dbraw/zinc/13/10/39/1208131039.db2.gz MHPBAENNBWKTQU-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197049328 1208131044 /nfs/dbraw/zinc/13/10/44/1208131044.db2.gz MHPBAENNBWKTQU-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)C(C)C ZINC001197018467 1208132234 /nfs/dbraw/zinc/13/22/34/1208132234.db2.gz ULUKZPPKNKSATL-JFIYKMOQSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)C(C)C ZINC001197018467 1208132238 /nfs/dbraw/zinc/13/22/38/1208132238.db2.gz ULUKZPPKNKSATL-JFIYKMOQSA-N 2 1 368.522 0.137 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)c1 ZINC001197252634 1208149252 /nfs/dbraw/zinc/14/92/52/1208149252.db2.gz FTHBVGKEMOOPIU-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001197319463 1208152797 /nfs/dbraw/zinc/15/27/97/1208152797.db2.gz IMPFRURECFWDON-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001197536430 1208172174 /nfs/dbraw/zinc/17/21/74/1208172174.db2.gz TUFJZNCASXAFDO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001197536430 1208172175 /nfs/dbraw/zinc/17/21/75/1208172175.db2.gz TUFJZNCASXAFDO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001197536430 1208172176 /nfs/dbraw/zinc/17/21/76/1208172176.db2.gz TUFJZNCASXAFDO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001197536430 1208172177 /nfs/dbraw/zinc/17/21/77/1208172177.db2.gz TUFJZNCASXAFDO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001197775876 1208195988 /nfs/dbraw/zinc/19/59/88/1208195988.db2.gz PCEVSGNYJZMSDV-BHIYHBOVSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001197775876 1208195991 /nfs/dbraw/zinc/19/59/91/1208195991.db2.gz PCEVSGNYJZMSDV-BHIYHBOVSA-N 2 1 361.486 0.959 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197781836 1208196357 /nfs/dbraw/zinc/19/63/57/1208196357.db2.gz AEOYAPZVNQFHFY-QZTJIDSGSA-N 2 1 365.474 0.073 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197781836 1208196360 /nfs/dbraw/zinc/19/63/60/1208196360.db2.gz AEOYAPZVNQFHFY-QZTJIDSGSA-N 2 1 365.474 0.073 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820232 1208201184 /nfs/dbraw/zinc/20/11/84/1208201184.db2.gz YQQOAJHWJWLXIC-QZTJIDSGSA-N 2 1 359.470 0.460 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820232 1208201187 /nfs/dbraw/zinc/20/11/87/1208201187.db2.gz YQQOAJHWJWLXIC-QZTJIDSGSA-N 2 1 359.470 0.460 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001197824981 1208201998 /nfs/dbraw/zinc/20/19/98/1208201998.db2.gz AGVNHFPZIKSNIJ-QZTJIDSGSA-N 2 1 365.474 0.195 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197954969 1208209062 /nfs/dbraw/zinc/20/90/62/1208209062.db2.gz ITCVKVVCWYVCSR-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001197954969 1208209064 /nfs/dbraw/zinc/20/90/64/1208209064.db2.gz ITCVKVVCWYVCSR-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197954933 1208209249 /nfs/dbraw/zinc/20/92/49/1208209249.db2.gz GWHXNCHAKHQLAV-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197954933 1208209250 /nfs/dbraw/zinc/20/92/50/1208209250.db2.gz GWHXNCHAKHQLAV-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199023402 1208310349 /nfs/dbraw/zinc/31/03/49/1208310349.db2.gz HVYAEPFZHNUOLS-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199023402 1208310352 /nfs/dbraw/zinc/31/03/52/1208310352.db2.gz HVYAEPFZHNUOLS-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP CNC(=O)c1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001199111854 1208321849 /nfs/dbraw/zinc/32/18/49/1208321849.db2.gz PFFDXRJNYLMNAA-IAGOWNOFSA-N 2 1 362.474 0.048 20 0 FCADMP COc1cccc([C@@H](C)[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220764584 1225061854 /nfs/dbraw/zinc/06/18/54/1225061854.db2.gz PKOFAWQCJZZTOD-OLMNPRSZSA-N 2 1 365.474 0.496 20 0 FCADMP COc1cccc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220764584 1225061863 /nfs/dbraw/zinc/06/18/63/1225061863.db2.gz PKOFAWQCJZZTOD-OLMNPRSZSA-N 2 1 365.474 0.496 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001489056296 1208616566 /nfs/dbraw/zinc/61/65/66/1208616566.db2.gz RIMLELFNZRFEKT-RDBSUJKOSA-N 2 1 355.483 0.128 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001489052084 1208621821 /nfs/dbraw/zinc/62/18/21/1208621821.db2.gz DTGFBXRUTOOXDN-ILXRZTDVSA-N 2 1 351.499 0.830 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001489052084 1208621824 /nfs/dbraw/zinc/62/18/24/1208621824.db2.gz DTGFBXRUTOOXDN-ILXRZTDVSA-N 2 1 351.499 0.830 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001489194226 1208657713 /nfs/dbraw/zinc/65/77/13/1208657713.db2.gz VJLTXVIDXUBBGX-QLFBSQMISA-N 2 1 366.462 0.137 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001489194226 1208657719 /nfs/dbraw/zinc/65/77/19/1208657719.db2.gz VJLTXVIDXUBBGX-QLFBSQMISA-N 2 1 366.462 0.137 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001489348850 1208778704 /nfs/dbraw/zinc/77/87/04/1208778704.db2.gz ORXFBDVVSKWLTH-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827595 1225092122 /nfs/dbraw/zinc/09/21/22/1225092122.db2.gz UPZDRGWTRNCNAW-IAGOWNOFSA-N 2 1 359.426 0.158 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827595 1225092126 /nfs/dbraw/zinc/09/21/26/1225092126.db2.gz UPZDRGWTRNCNAW-IAGOWNOFSA-N 2 1 359.426 0.158 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829623 1225093738 /nfs/dbraw/zinc/09/37/38/1225093738.db2.gz XPGGQFYAUYGERO-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829623 1225093747 /nfs/dbraw/zinc/09/37/47/1225093747.db2.gz XPGGQFYAUYGERO-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829623 1225093752 /nfs/dbraw/zinc/09/37/52/1225093752.db2.gz XPGGQFYAUYGERO-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829623 1225093763 /nfs/dbraw/zinc/09/37/63/1225093763.db2.gz XPGGQFYAUYGERO-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP [NH3+][C@@H](CC(=O)NCCN1CC[NH2+]CC1=O)Cc1cccc(C(F)(F)F)c1 ZINC001220871996 1225118950 /nfs/dbraw/zinc/11/89/50/1225118950.db2.gz GCSDFXOVOUWCCW-CQSZACIVSA-N 2 1 372.391 0.513 20 0 FCADMP Cc1ccc([C@@H](C(=O)NCCN2CC[NH2+]CC2=O)N2CCC([NH3+])CC2)cc1 ZINC001220874717 1225119147 /nfs/dbraw/zinc/11/91/47/1225119147.db2.gz NIEDQELGNHZRSE-IBGZPJMESA-N 2 1 373.501 0.007 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000850691530 1209482710 /nfs/dbraw/zinc/48/27/10/1209482710.db2.gz POUTTYXHVJTBAD-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000850691530 1209482712 /nfs/dbraw/zinc/48/27/12/1209482712.db2.gz POUTTYXHVJTBAD-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000850691530 1209482714 /nfs/dbraw/zinc/48/27/14/1209482714.db2.gz POUTTYXHVJTBAD-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000850691530 1209482716 /nfs/dbraw/zinc/48/27/16/1209482716.db2.gz POUTTYXHVJTBAD-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851741589 1209518621 /nfs/dbraw/zinc/51/86/21/1209518621.db2.gz LFAOBDQHUPPSQC-UEXGIBASSA-N 2 1 374.529 0.850 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851741589 1209518631 /nfs/dbraw/zinc/51/86/31/1209518631.db2.gz LFAOBDQHUPPSQC-UEXGIBASSA-N 2 1 374.529 0.850 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110718974 1209746148 /nfs/dbraw/zinc/74/61/48/1209746148.db2.gz IMRYREOZUIMXPT-BDXSIMOUSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110718974 1209746150 /nfs/dbraw/zinc/74/61/50/1209746150.db2.gz IMRYREOZUIMXPT-BDXSIMOUSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718974 1209746153 /nfs/dbraw/zinc/74/61/53/1209746153.db2.gz IMRYREOZUIMXPT-BDXSIMOUSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718974 1209746155 /nfs/dbraw/zinc/74/61/55/1209746155.db2.gz IMRYREOZUIMXPT-BDXSIMOUSA-N 2 1 366.506 0.345 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001110734483 1209764092 /nfs/dbraw/zinc/76/40/92/1209764092.db2.gz QPMGSKCJFBGYDP-TWMKSMIVSA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110734483 1209764098 /nfs/dbraw/zinc/76/40/98/1209764098.db2.gz QPMGSKCJFBGYDP-TWMKSMIVSA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110734483 1209764102 /nfs/dbraw/zinc/76/41/02/1209764102.db2.gz QPMGSKCJFBGYDP-TWMKSMIVSA-N 2 1 363.506 0.696 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001110746620 1209789827 /nfs/dbraw/zinc/78/98/27/1209789827.db2.gz WIQKUPKTOLOLIE-ZJPYXAASSA-N 2 1 371.485 0.908 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001110746620 1209789831 /nfs/dbraw/zinc/78/98/31/1209789831.db2.gz WIQKUPKTOLOLIE-ZJPYXAASSA-N 2 1 371.485 0.908 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220977712 1225169800 /nfs/dbraw/zinc/16/98/00/1225169800.db2.gz AEQKUGAEIPMMDH-QRVBRYPASA-N 2 1 361.486 0.237 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220977712 1225169804 /nfs/dbraw/zinc/16/98/04/1225169804.db2.gz AEQKUGAEIPMMDH-QRVBRYPASA-N 2 1 361.486 0.237 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978324 1225170520 /nfs/dbraw/zinc/17/05/20/1225170520.db2.gz XYNMFDVCJPKBIE-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978324 1225170524 /nfs/dbraw/zinc/17/05/24/1225170524.db2.gz XYNMFDVCJPKBIE-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001220978324 1225170526 /nfs/dbraw/zinc/17/05/26/1225170526.db2.gz XYNMFDVCJPKBIE-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1ccccc1OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220978122 1225170743 /nfs/dbraw/zinc/17/07/43/1225170743.db2.gz NCPNMRWGCMTUMT-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978122 1225170747 /nfs/dbraw/zinc/17/07/47/1225170747.db2.gz NCPNMRWGCMTUMT-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220978122 1225170752 /nfs/dbraw/zinc/17/07/52/1225170752.db2.gz NCPNMRWGCMTUMT-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863750569 1209949424 /nfs/dbraw/zinc/94/94/24/1209949424.db2.gz QUYZIDZNIAJRDN-WBVHZDCISA-N 2 1 361.490 0.700 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302849 1210050905 /nfs/dbraw/zinc/05/09/05/1210050905.db2.gz NTWCTEMLEKZWKD-GASCZTMLSA-N 2 1 359.474 0.621 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000868305093 1210051225 /nfs/dbraw/zinc/05/12/25/1210051225.db2.gz NEGJFGRFIAUIGA-WKILWMFISA-N 2 1 360.458 0.353 20 0 FCADMP C[N@@H+]1CC[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@H]21 ZINC000868695439 1210071800 /nfs/dbraw/zinc/07/18/00/1210071800.db2.gz QHLGXSLEDHGCHX-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@H]21 ZINC000868695439 1210071802 /nfs/dbraw/zinc/07/18/02/1210071802.db2.gz QHLGXSLEDHGCHX-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1nnn2c1C[NH2+]CC2 ZINC001221045831 1225196522 /nfs/dbraw/zinc/19/65/22/1225196522.db2.gz QZRAGEUMJZQRNC-INIZCTEOSA-N 2 1 358.421 0.991 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073104 1225210108 /nfs/dbraw/zinc/21/01/08/1225210108.db2.gz GIVXYUBZADWQGW-BBWFWOEESA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073104 1225210115 /nfs/dbraw/zinc/21/01/15/1225210115.db2.gz GIVXYUBZADWQGW-BBWFWOEESA-N 2 1 368.522 0.279 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073126 1225210256 /nfs/dbraw/zinc/21/02/56/1225210256.db2.gz HFXCUTVOUFMBDY-BBWFWOEESA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073126 1225210259 /nfs/dbraw/zinc/21/02/59/1225210259.db2.gz HFXCUTVOUFMBDY-BBWFWOEESA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073496 1225211522 /nfs/dbraw/zinc/21/15/22/1225211522.db2.gz YUSBZFOJJHBUSB-KSZLIROESA-N 2 1 371.522 0.057 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000876781201 1210430349 /nfs/dbraw/zinc/43/03/49/1210430349.db2.gz MFZBURPAZLKODU-QGZVFWFLSA-N 2 1 362.522 0.873 20 0 FCADMP CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000880310901 1210525458 /nfs/dbraw/zinc/52/54/58/1210525458.db2.gz OAEPUAVPQVYWBL-RYQLBKOJSA-N 2 1 371.485 0.529 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882483485 1210622882 /nfs/dbraw/zinc/62/28/82/1210622882.db2.gz BLCLFTLAUQWNIS-IAGOWNOFSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882483484 1210623465 /nfs/dbraw/zinc/62/34/65/1210623465.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882483484 1210623473 /nfs/dbraw/zinc/62/34/73/1210623473.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000882483484 1210623477 /nfs/dbraw/zinc/62/34/77/1210623477.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 2 1 359.474 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)C(C)C ZINC000883288680 1210661141 /nfs/dbraw/zinc/66/11/41/1210661141.db2.gz NYNSCZCTSJERMC-GOSISDBHSA-N 2 1 369.554 0.813 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000883288680 1210661143 /nfs/dbraw/zinc/66/11/43/1210661143.db2.gz NYNSCZCTSJERMC-GOSISDBHSA-N 2 1 369.554 0.813 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000883288680 1210661146 /nfs/dbraw/zinc/66/11/46/1210661146.db2.gz NYNSCZCTSJERMC-GOSISDBHSA-N 2 1 369.554 0.813 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883423826 1210666472 /nfs/dbraw/zinc/66/64/72/1210666472.db2.gz WIHLYXJTCSYWQS-INIZCTEOSA-N 2 1 365.522 0.986 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883604097 1210673567 /nfs/dbraw/zinc/67/35/67/1210673567.db2.gz MMLIZZRQDWCGQZ-KRWDZBQOSA-N 2 1 359.474 0.635 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883605073 1210673640 /nfs/dbraw/zinc/67/36/40/1210673640.db2.gz LMSQZNPIYUBCCV-KRWDZBQOSA-N 2 1 359.474 0.635 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883605316 1210673859 /nfs/dbraw/zinc/67/38/59/1210673859.db2.gz RYEHKWLTJRRGNZ-AEFFLSMTSA-N 2 1 371.485 0.778 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883605526 1210673884 /nfs/dbraw/zinc/67/38/84/1210673884.db2.gz WOHKAKHDUAHFAD-MAUKXSAKSA-N 2 1 371.485 0.717 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883607137 1210674470 /nfs/dbraw/zinc/67/44/70/1210674470.db2.gz MDIPDGXYDBQWAO-KRWDZBQOSA-N 2 1 357.458 0.245 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611729 1210675287 /nfs/dbraw/zinc/67/52/87/1210675287.db2.gz HTJORRKZYHADKG-IIDMSEBBSA-N 2 1 371.485 0.858 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000884053952 1210712223 /nfs/dbraw/zinc/71/22/23/1210712223.db2.gz LUCFWCXHXWPZGV-OAHLLOKOSA-N 2 1 374.489 0.512 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000884508271 1210740983 /nfs/dbraw/zinc/74/09/83/1210740983.db2.gz ZGOMVJBTBPZZOF-OAHLLOKOSA-N 2 1 367.538 0.023 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000884529627 1210745684 /nfs/dbraw/zinc/74/56/84/1210745684.db2.gz SBNVSUYRDVCUBO-KRWDZBQOSA-N 2 1 374.485 0.769 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884539458 1210746568 /nfs/dbraw/zinc/74/65/68/1210746568.db2.gz ASKYVTSRTTZYQI-HDICACEKSA-N 2 1 372.469 0.098 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000884545086 1210746954 /nfs/dbraw/zinc/74/69/54/1210746954.db2.gz YDDDDEWLPKAGJQ-HNAYVOBHSA-N 2 1 368.522 0.294 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[N@H+]1C1CC1 ZINC000884554317 1210748736 /nfs/dbraw/zinc/74/87/36/1210748736.db2.gz QTLYPEWZVAHDPA-FMKPAKJESA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[N@H+]1C1CC1 ZINC000884554320 1210749449 /nfs/dbraw/zinc/74/94/49/1210749449.db2.gz QTLYPEWZVAHDPA-YCPHGPKFSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884555788 1210749958 /nfs/dbraw/zinc/74/99/58/1210749958.db2.gz ZYPQVOJIZHGFOI-HFTRVMKXSA-N 2 1 358.486 0.662 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884555791 1210750036 /nfs/dbraw/zinc/75/00/36/1210750036.db2.gz ZYPQVOJIZHGFOI-UWWQBHOKSA-N 2 1 358.486 0.662 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884560229 1210751670 /nfs/dbraw/zinc/75/16/70/1210751670.db2.gz RFXUFNCSLLYAGD-UHFFFAOYSA-N 2 1 370.497 0.906 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884560229 1210751677 /nfs/dbraw/zinc/75/16/77/1210751677.db2.gz RFXUFNCSLLYAGD-UHFFFAOYSA-N 2 1 370.497 0.906 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884577327 1210756007 /nfs/dbraw/zinc/75/60/07/1210756007.db2.gz CJFNPLLLAOCSJD-RTBURBONSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598322 1210758984 /nfs/dbraw/zinc/75/89/84/1210758984.db2.gz YGOWKOGRRCJZNI-LSDHHAIUSA-N 2 1 374.476 0.976 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884603351 1210761267 /nfs/dbraw/zinc/76/12/67/1210761267.db2.gz HWQNGNPKKXNMLD-LPHOPBHVSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000884604252 1210761390 /nfs/dbraw/zinc/76/13/90/1210761390.db2.gz CMRBBONOZXHEAR-CYGHRXIMSA-N 2 1 358.486 0.676 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000884617555 1210763718 /nfs/dbraw/zinc/76/37/18/1210763718.db2.gz OFEVKIVFWCXRJW-RDTXWAMCSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000884617555 1210763722 /nfs/dbraw/zinc/76/37/22/1210763722.db2.gz OFEVKIVFWCXRJW-RDTXWAMCSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884645956 1210772588 /nfs/dbraw/zinc/77/25/88/1210772588.db2.gz BDJZIARNHQXLGY-NRSFXHEJSA-N 2 1 356.470 0.728 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C2 ZINC000884669212 1210774843 /nfs/dbraw/zinc/77/48/43/1210774843.db2.gz PMQDTVIJIXICRO-TWOQFEAHSA-N 2 1 374.485 0.991 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000884668902 1210774944 /nfs/dbraw/zinc/77/49/44/1210774944.db2.gz GRRKWAAHSVARAX-OAGGEKHMSA-N 2 1 362.474 0.976 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884674865 1210776884 /nfs/dbraw/zinc/77/68/84/1210776884.db2.gz KETXAVLWMYPQID-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000884675064 1210777199 /nfs/dbraw/zinc/77/71/99/1210777199.db2.gz QSUXYHHDGALLGK-QFBILLFUSA-N 2 1 372.513 0.987 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884678008 1210777939 /nfs/dbraw/zinc/77/79/39/1210777939.db2.gz MHZSKPPAQVKPQY-ABSDTBQOSA-N 2 1 356.470 0.445 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884678850 1210779593 /nfs/dbraw/zinc/77/95/93/1210779593.db2.gz NUHPNBOWFBFNCB-WAOWUJCRSA-N 2 1 370.497 0.820 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884688225 1210781613 /nfs/dbraw/zinc/78/16/13/1210781613.db2.gz WGKPGMZJZUSZOF-BBTUJRGHSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884692752 1210782254 /nfs/dbraw/zinc/78/22/54/1210782254.db2.gz VEAIUTYOFXODOP-SZMVWBNQSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884697532 1210783402 /nfs/dbraw/zinc/78/34/02/1210783402.db2.gz AXZLGYLNTQNJQX-RIFZZMRRSA-N 2 1 358.486 0.678 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884706571 1210784854 /nfs/dbraw/zinc/78/48/54/1210784854.db2.gz HPUSGZKKWYRYPJ-JLSDUUJJSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000884716754 1210787217 /nfs/dbraw/zinc/78/72/17/1210787217.db2.gz ICFRUBFVSPXOEW-FPAYPSAMSA-N 2 1 372.513 0.985 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@@H]21 ZINC000884725994 1210790641 /nfs/dbraw/zinc/79/06/41/1210790641.db2.gz DLIOEDFUROUJHE-IXNMUODESA-N 2 1 374.529 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884833850 1210800278 /nfs/dbraw/zinc/80/02/78/1210800278.db2.gz PWHAAEHESGTPMZ-MXSMSXNCSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834298 1210800413 /nfs/dbraw/zinc/80/04/13/1210800413.db2.gz UYVWNNSPMWMYNR-WZGPROSRSA-N 2 1 370.497 0.549 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000884837831 1210800819 /nfs/dbraw/zinc/80/08/19/1210800819.db2.gz LLMVHAOCVIIHHD-AEFFLSMTSA-N 2 1 356.470 0.501 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884881755 1210802490 /nfs/dbraw/zinc/80/24/90/1210802490.db2.gz ILFFOYGGAVGBPB-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884881755 1210802491 /nfs/dbraw/zinc/80/24/91/1210802491.db2.gz ILFFOYGGAVGBPB-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884909352 1210803498 /nfs/dbraw/zinc/80/34/98/1210803498.db2.gz YWEGILKNJXUHKX-WKILWMFISA-N 2 1 368.522 0.437 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000884982713 1210806509 /nfs/dbraw/zinc/80/65/09/1210806509.db2.gz ITARNGOSUVSPDU-FGTMMUONSA-N 2 1 356.470 0.648 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH3+])CC3)C2)cc1 ZINC000884983304 1210806797 /nfs/dbraw/zinc/80/67/97/1210806797.db2.gz QDEOSHUGKHIEHL-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983098 1210807033 /nfs/dbraw/zinc/80/70/33/1210807033.db2.gz NUPBKOLYNRZZAX-WIYYLYMNSA-N 2 1 370.497 0.898 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884983378 1210807062 /nfs/dbraw/zinc/80/70/62/1210807062.db2.gz QFIASIRLMHZYLM-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885007561 1210807763 /nfs/dbraw/zinc/80/77/63/1210807763.db2.gz CHILJFMOBDXIAT-ZJPYXAASSA-N 2 1 362.518 0.824 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)c1 ZINC000885017729 1210808711 /nfs/dbraw/zinc/80/87/11/1210808711.db2.gz CZZZAIPHUJFZMK-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)c1 ZINC000885017729 1210808712 /nfs/dbraw/zinc/80/87/12/1210808712.db2.gz CZZZAIPHUJFZMK-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149071 1210812627 /nfs/dbraw/zinc/81/26/27/1210812627.db2.gz WNTAHNSJWRZTID-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885156598 1210813337 /nfs/dbraw/zinc/81/33/37/1210813337.db2.gz YQMALQWDMZCQNN-CRAIPNDOSA-N 2 1 358.486 0.617 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000885162625 1210814114 /nfs/dbraw/zinc/81/41/14/1210814114.db2.gz QJIOGLSDAJVHQD-QRVBRYPASA-N 2 1 370.497 0.760 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885163033 1210814530 /nfs/dbraw/zinc/81/45/30/1210814530.db2.gz WWYUAVRLZGHWGZ-CRAIPNDOSA-N 2 1 358.486 0.617 20 0 FCADMP O=C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000886874636 1210838692 /nfs/dbraw/zinc/83/86/92/1210838692.db2.gz SAPLNRKXDQRAPZ-LJQANCHMSA-N 2 1 358.490 0.591 20 0 FCADMP O=C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000886874636 1210838695 /nfs/dbraw/zinc/83/86/95/1210838695.db2.gz SAPLNRKXDQRAPZ-LJQANCHMSA-N 2 1 358.490 0.591 20 0 FCADMP C[C@@H](C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001691715745 1210842437 /nfs/dbraw/zinc/84/24/37/1210842437.db2.gz WHLUCXCYCXOZOA-ZNMIVQPWSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001691715745 1210842440 /nfs/dbraw/zinc/84/24/40/1210842440.db2.gz WHLUCXCYCXOZOA-ZNMIVQPWSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064215 1210844546 /nfs/dbraw/zinc/84/45/46/1210844546.db2.gz BYENDSFNPYSWNQ-KANFNMMFSA-N 2 1 370.497 0.915 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)CC[C@H]21 ZINC000887080732 1210846250 /nfs/dbraw/zinc/84/62/50/1210846250.db2.gz DVACNXDIAUZPKR-HLIPFELVSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131476 1210849003 /nfs/dbraw/zinc/84/90/03/1210849003.db2.gz YJOBTBOMJBRZGJ-LSDHHAIUSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131476 1210849004 /nfs/dbraw/zinc/84/90/04/1210849004.db2.gz YJOBTBOMJBRZGJ-LSDHHAIUSA-N 2 1 359.474 0.705 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090878 1210879026 /nfs/dbraw/zinc/87/90/26/1210879026.db2.gz LPHBOVDBNQCMGW-IRXDYDNUSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162597 1225248363 /nfs/dbraw/zinc/24/83/63/1225248363.db2.gz ARRCSXPYPKLUHD-MOPGFXCFSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162597 1225248368 /nfs/dbraw/zinc/24/83/68/1225248368.db2.gz ARRCSXPYPKLUHD-MOPGFXCFSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162597 1225248372 /nfs/dbraw/zinc/24/83/72/1225248372.db2.gz ARRCSXPYPKLUHD-MOPGFXCFSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162597 1225248378 /nfs/dbraw/zinc/24/83/78/1225248378.db2.gz ARRCSXPYPKLUHD-MOPGFXCFSA-N 2 1 361.486 0.706 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933347 1210921360 /nfs/dbraw/zinc/92/13/60/1210921360.db2.gz NHTDFPXQCRWVHH-AXVVYFOYSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933347 1210921363 /nfs/dbraw/zinc/92/13/63/1210921363.db2.gz NHTDFPXQCRWVHH-AXVVYFOYSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933347 1210921370 /nfs/dbraw/zinc/92/13/70/1210921370.db2.gz NHTDFPXQCRWVHH-AXVVYFOYSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771193 1210949752 /nfs/dbraw/zinc/94/97/52/1210949752.db2.gz XYMWPIPASYHIJD-SFHLNBCPSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771193 1210949754 /nfs/dbraw/zinc/94/97/54/1210949754.db2.gz XYMWPIPASYHIJD-SFHLNBCPSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771193 1210949758 /nfs/dbraw/zinc/94/97/58/1210949758.db2.gz XYMWPIPASYHIJD-SFHLNBCPSA-N 2 1 373.497 0.681 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890141679 1210969161 /nfs/dbraw/zinc/96/91/61/1210969161.db2.gz ODCPTRHFRZQPAE-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2CC1 ZINC001274419196 1211050051 /nfs/dbraw/zinc/05/00/51/1211050051.db2.gz QZSYSIQRQOTBIJ-KSZLIROESA-N 2 1 362.518 0.587 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[NH+]4CC4CC4)CC3)[C@@H]2C1 ZINC001274923931 1211144898 /nfs/dbraw/zinc/14/48/98/1211144898.db2.gz HMZXMQCXXOKPSL-ZACQAIPSSA-N 2 1 360.502 0.530 20 0 FCADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[N@@H+]4CC4CC4)CC3)[C@@H]2C1 ZINC001274923931 1211144901 /nfs/dbraw/zinc/14/49/01/1211144901.db2.gz HMZXMQCXXOKPSL-ZACQAIPSSA-N 2 1 360.502 0.530 20 0 FCADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[N@H+]4CC4CC4)CC3)[C@@H]2C1 ZINC001274923931 1211144903 /nfs/dbraw/zinc/14/49/03/1211144903.db2.gz HMZXMQCXXOKPSL-ZACQAIPSSA-N 2 1 360.502 0.530 20 0 FCADMP CC(C)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275064174 1211173310 /nfs/dbraw/zinc/17/33/10/1211173310.db2.gz OZLILWYYGBFVIJ-FQEVSTJZSA-N 2 1 366.550 0.831 20 0 FCADMP CC(C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275064174 1211173312 /nfs/dbraw/zinc/17/33/12/1211173312.db2.gz OZLILWYYGBFVIJ-FQEVSTJZSA-N 2 1 366.550 0.831 20 0 FCADMP CC(C)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275064174 1211173317 /nfs/dbraw/zinc/17/33/17/1211173317.db2.gz OZLILWYYGBFVIJ-FQEVSTJZSA-N 2 1 366.550 0.831 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143005 1211179618 /nfs/dbraw/zinc/17/96/18/1211179618.db2.gz QLKNPXQSKTYUNN-QUCCMNQESA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143005 1211179621 /nfs/dbraw/zinc/17/96/21/1211179621.db2.gz QLKNPXQSKTYUNN-QUCCMNQESA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143005 1211179625 /nfs/dbraw/zinc/17/96/25/1211179625.db2.gz QLKNPXQSKTYUNN-QUCCMNQESA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170313 1211187447 /nfs/dbraw/zinc/18/74/47/1211187447.db2.gz UCFSQMXGOJDDPO-LJQANCHMSA-N 2 1 360.506 0.472 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170313 1211187453 /nfs/dbraw/zinc/18/74/53/1211187453.db2.gz UCFSQMXGOJDDPO-LJQANCHMSA-N 2 1 360.506 0.472 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170313 1211187457 /nfs/dbraw/zinc/18/74/57/1211187457.db2.gz UCFSQMXGOJDDPO-LJQANCHMSA-N 2 1 360.506 0.472 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171064 1211187666 /nfs/dbraw/zinc/18/76/66/1211187666.db2.gz CRXOOPGUDKJSQX-AZUAARDMSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275171064 1211187670 /nfs/dbraw/zinc/18/76/70/1211187670.db2.gz CRXOOPGUDKJSQX-AZUAARDMSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275171064 1211187674 /nfs/dbraw/zinc/18/76/74/1211187674.db2.gz CRXOOPGUDKJSQX-AZUAARDMSA-N 2 1 364.534 0.868 20 0 FCADMP COc1nccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275262019 1211205393 /nfs/dbraw/zinc/20/53/93/1211205393.db2.gz WCZXWGRJSYXAIZ-SFHVURJKSA-N 2 1 361.446 0.388 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccnn3C)C2)C1=O ZINC001275365257 1211221721 /nfs/dbraw/zinc/22/17/21/1211221721.db2.gz LURCLPNOMYYZDX-GOSISDBHSA-N 2 1 356.430 0.695 20 0 FCADMP CN1C[C@@]2(CC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)OCC1=O ZINC001275389260 1211229197 /nfs/dbraw/zinc/22/91/97/1211229197.db2.gz ALGQAABNRJPYDH-HXUWFJFHSA-N 2 1 359.470 0.952 20 0 FCADMP CN1C[C@@]2(CC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)OCC1=O ZINC001275401811 1211231346 /nfs/dbraw/zinc/23/13/46/1211231346.db2.gz PLGBBSGHGWKOER-HXUWFJFHSA-N 2 1 358.486 0.872 20 0 FCADMP COc1cncc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001275424406 1211234612 /nfs/dbraw/zinc/23/46/12/1211234612.db2.gz ZDUCIPHUHMJFSG-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1cncc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001275424406 1211234615 /nfs/dbraw/zinc/23/46/15/1211234615.db2.gz ZDUCIPHUHMJFSG-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP CC[C@@H](C(N)=O)N1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275448273 1211239978 /nfs/dbraw/zinc/23/99/78/1211239978.db2.gz RLLMOPWLUHWWAO-INIZCTEOSA-N 2 1 359.474 0.963 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2)OC ZINC001275508480 1211251784 /nfs/dbraw/zinc/25/17/84/1211251784.db2.gz UMOLRRCZDUMKEU-LJQANCHMSA-N 2 1 371.522 0.744 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OC ZINC001275508480 1211251788 /nfs/dbraw/zinc/25/17/88/1211251788.db2.gz UMOLRRCZDUMKEU-LJQANCHMSA-N 2 1 371.522 0.744 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275511567 1211252390 /nfs/dbraw/zinc/25/23/90/1211252390.db2.gz KGFPRVYIHWKTEY-LJQANCHMSA-N 2 1 361.490 0.868 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275511567 1211252393 /nfs/dbraw/zinc/25/23/93/1211252393.db2.gz KGFPRVYIHWKTEY-LJQANCHMSA-N 2 1 361.490 0.868 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]12CCN(CCN1CCOCC1)C2=O ZINC001275513217 1211253127 /nfs/dbraw/zinc/25/31/27/1211253127.db2.gz ZVBISDUXBAZIMO-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]12CCN(CCN1CCOCC1)C2=O ZINC001275513217 1211253128 /nfs/dbraw/zinc/25/31/28/1211253128.db2.gz ZVBISDUXBAZIMO-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556949 1211256276 /nfs/dbraw/zinc/25/62/76/1211256276.db2.gz QWGNNNCRWBJPCQ-HNAYVOBHSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556945 1211256534 /nfs/dbraw/zinc/25/65/34/1211256534.db2.gz QWGNNNCRWBJPCQ-BEFAXECRSA-N 2 1 367.490 0.583 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C3)CC1 ZINC001275576341 1211259035 /nfs/dbraw/zinc/25/90/35/1211259035.db2.gz HMWVDMMKQGVJAT-PTSWNOGYSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC2=O)COCC[N@@H+](CC2CC[NH2+]CC2)C3)n1 ZINC001275738045 1211279152 /nfs/dbraw/zinc/27/91/52/1211279152.db2.gz SGHBXDBZRTYLPL-SFHVURJKSA-N 2 1 363.462 0.429 20 0 FCADMP NC(=O)CCCCCN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737131 1211279454 /nfs/dbraw/zinc/27/94/54/1211279454.db2.gz INMSLGPBGBBSLB-ZWKOTPCHSA-N 2 1 372.460 0.606 20 0 FCADMP NC(=O)CCCCCN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737131 1211279458 /nfs/dbraw/zinc/27/94/58/1211279458.db2.gz INMSLGPBGBBSLB-ZWKOTPCHSA-N 2 1 372.460 0.606 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001275802088 1211286247 /nfs/dbraw/zinc/28/62/47/1211286247.db2.gz ZRUZALWGJOOBPU-UHOSZYNNSA-N 2 1 361.490 0.501 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001275802088 1211286248 /nfs/dbraw/zinc/28/62/48/1211286248.db2.gz ZRUZALWGJOOBPU-UHOSZYNNSA-N 2 1 361.490 0.501 20 0 FCADMP Cc1noc(CN2C(=O)COCC23C[NH+](CC2(C)CC[NH+](C)CC2)C3)n1 ZINC001275833512 1211293709 /nfs/dbraw/zinc/29/37/09/1211293709.db2.gz JHOLYVBPNWNKRN-UHFFFAOYSA-N 2 1 363.462 0.523 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833322 1211293739 /nfs/dbraw/zinc/29/37/39/1211293739.db2.gz BAAQBKKAIBTLTM-DNVCBOLYSA-N 2 1 366.506 0.286 20 0 FCADMP CCCC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001221235165 1225276374 /nfs/dbraw/zinc/27/63/74/1225276374.db2.gz UQAWJVYRPXCJFE-IRXDYDNUSA-N 2 1 358.486 0.868 20 0 FCADMP CCCC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001221235165 1225276380 /nfs/dbraw/zinc/27/63/80/1225276380.db2.gz UQAWJVYRPXCJFE-IRXDYDNUSA-N 2 1 358.486 0.868 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862119 1211299297 /nfs/dbraw/zinc/29/92/97/1211299297.db2.gz BHBTZHQAVVKCAZ-HXUWFJFHSA-N 3 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CCN(CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862119 1211299303 /nfs/dbraw/zinc/29/93/03/1211299303.db2.gz BHBTZHQAVVKCAZ-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4n[nH]cc4c3)C2)OCC1=O ZINC001275867412 1211300602 /nfs/dbraw/zinc/30/06/02/1211300602.db2.gz KTWFYIXQXHGRAB-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877485 1211302851 /nfs/dbraw/zinc/30/28/51/1211302851.db2.gz CDHWUJNTVBPJRO-YLJYHZDGSA-N 2 1 362.518 0.921 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877711 1211303379 /nfs/dbraw/zinc/30/33/79/1211303379.db2.gz FPEGFBBMFKTDJA-FCEWJHQRSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877711 1211303383 /nfs/dbraw/zinc/30/33/83/1211303383.db2.gz FPEGFBBMFKTDJA-FCEWJHQRSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877711 1211303386 /nfs/dbraw/zinc/30/33/86/1211303386.db2.gz FPEGFBBMFKTDJA-FCEWJHQRSA-N 2 1 367.490 0.441 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881255 1211305243 /nfs/dbraw/zinc/30/52/43/1211305243.db2.gz XUAHMCUVLMXDLE-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275881255 1211305245 /nfs/dbraw/zinc/30/52/45/1211305245.db2.gz XUAHMCUVLMXDLE-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275881255 1211305247 /nfs/dbraw/zinc/30/52/47/1211305247.db2.gz XUAHMCUVLMXDLE-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879225 1211305672 /nfs/dbraw/zinc/30/56/72/1211305672.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879225 1211305674 /nfs/dbraw/zinc/30/56/74/1211305674.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879225 1211305675 /nfs/dbraw/zinc/30/56/75/1211305675.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001095424590 1211333755 /nfs/dbraw/zinc/33/37/55/1211333755.db2.gz WHSIWRYDFOTKBE-XWSJACJDSA-N 2 1 370.497 0.949 20 0 FCADMP CNc1nccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276057474 1211343049 /nfs/dbraw/zinc/34/30/49/1211343049.db2.gz SYSHJHLMGVCENN-SFHVURJKSA-N 2 1 362.478 0.131 20 0 FCADMP CNc1nccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276057474 1211343051 /nfs/dbraw/zinc/34/30/51/1211343051.db2.gz SYSHJHLMGVCENN-SFHVURJKSA-N 2 1 362.478 0.131 20 0 FCADMP CNc1nccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276057588 1211343933 /nfs/dbraw/zinc/34/39/33/1211343933.db2.gz XLBOVEUYNQNCKD-SFHVURJKSA-N 2 1 360.462 0.421 20 0 FCADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269712 1211400325 /nfs/dbraw/zinc/40/03/25/1211400325.db2.gz OFUCCMPXVGDGOL-QFBILLFUSA-N 2 1 369.506 0.831 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001095684619 1211447026 /nfs/dbraw/zinc/44/70/26/1211447026.db2.gz OFIDIDYBUYVWGQ-PMPSAXMXSA-N 2 1 361.490 0.362 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001095684619 1211447030 /nfs/dbraw/zinc/44/70/30/1211447030.db2.gz OFIDIDYBUYVWGQ-PMPSAXMXSA-N 2 1 361.490 0.362 20 0 FCADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000547269126 1211451696 /nfs/dbraw/zinc/45/16/96/1211451696.db2.gz ZYKFYSXTWZGKMW-IBGZPJMESA-N 2 1 362.474 0.650 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924946485 1211485839 /nfs/dbraw/zinc/48/58/39/1211485839.db2.gz UELDYNAXUVNYNO-HNNXBMFYSA-N 2 1 370.494 0.376 20 0 FCADMP O=C(CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)N1CCN(c2ncccn2)CC1 ZINC000925561321 1211502429 /nfs/dbraw/zinc/50/24/29/1211502429.db2.gz ZPUVLSMPDNUEEV-OLEVXBPZSA-N 2 1 356.474 0.101 20 0 FCADMP O=C(CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)N1CCN(c2ncccn2)CC1 ZINC000925561322 1211502556 /nfs/dbraw/zinc/50/25/56/1211502556.db2.gz ZPUVLSMPDNUEEV-YDRHNJASSA-N 2 1 356.474 0.101 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(c2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1=O ZINC000927190378 1211565803 /nfs/dbraw/zinc/56/58/03/1211565803.db2.gz CHGVXPYCOKUURI-GJZGRUSLSA-N 2 1 359.430 0.123 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(c2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1=O ZINC000927190378 1211565808 /nfs/dbraw/zinc/56/58/08/1211565808.db2.gz CHGVXPYCOKUURI-GJZGRUSLSA-N 2 1 359.430 0.123 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)n1 ZINC001110953690 1211613563 /nfs/dbraw/zinc/61/35/63/1211613563.db2.gz DGEYHBHHKOJYKY-ZACQAIPSSA-N 2 1 360.506 0.958 20 0 FCADMP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369823 1225302983 /nfs/dbraw/zinc/30/29/83/1225302983.db2.gz NNKNTRPWTXFBGQ-JKSUJKDBSA-N 2 1 356.470 0.349 20 0 FCADMP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369823 1225302995 /nfs/dbraw/zinc/30/29/95/1225302995.db2.gz NNKNTRPWTXFBGQ-JKSUJKDBSA-N 2 1 356.470 0.349 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000929963871 1211676118 /nfs/dbraw/zinc/67/61/18/1211676118.db2.gz IRPSTAHAXLRZQN-KRWDZBQOSA-N 2 1 374.485 0.080 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000929963871 1211676124 /nfs/dbraw/zinc/67/61/24/1211676124.db2.gz IRPSTAHAXLRZQN-KRWDZBQOSA-N 2 1 374.485 0.080 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393381 1211706234 /nfs/dbraw/zinc/70/62/34/1211706234.db2.gz BEEOKOSMCHLTAB-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393381 1211706235 /nfs/dbraw/zinc/70/62/35/1211706235.db2.gz BEEOKOSMCHLTAB-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000930393381 1211706236 /nfs/dbraw/zinc/70/62/36/1211706236.db2.gz BEEOKOSMCHLTAB-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000930393381 1211706238 /nfs/dbraw/zinc/70/62/38/1211706238.db2.gz BEEOKOSMCHLTAB-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000931434280 1211756053 /nfs/dbraw/zinc/75/60/53/1211756053.db2.gz OTJNYSYBQKPVGE-KGLIPLIRSA-N 2 1 374.441 0.989 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000931434280 1211756060 /nfs/dbraw/zinc/75/60/60/1211756060.db2.gz OTJNYSYBQKPVGE-KGLIPLIRSA-N 2 1 374.441 0.989 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000931434280 1211756065 /nfs/dbraw/zinc/75/60/65/1211756065.db2.gz OTJNYSYBQKPVGE-KGLIPLIRSA-N 2 1 374.441 0.989 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]2C1 ZINC000931434280 1211756074 /nfs/dbraw/zinc/75/60/74/1211756074.db2.gz OTJNYSYBQKPVGE-KGLIPLIRSA-N 2 1 374.441 0.989 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC000931433106 1211756420 /nfs/dbraw/zinc/75/64/20/1211756420.db2.gz PKJIDULFMAPSTR-SJORKVTESA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC000931433106 1211756421 /nfs/dbraw/zinc/75/64/21/1211756421.db2.gz PKJIDULFMAPSTR-SJORKVTESA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC000931433106 1211756422 /nfs/dbraw/zinc/75/64/22/1211756422.db2.gz PKJIDULFMAPSTR-SJORKVTESA-N 2 1 358.490 0.399 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000931611486 1211763433 /nfs/dbraw/zinc/76/34/33/1211763433.db2.gz VEIHCNONBMUEFY-WMLDXEAASA-N 2 1 359.474 0.707 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878501 1211777316 /nfs/dbraw/zinc/77/73/16/1211777316.db2.gz JDUMLONLFZASDB-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878501 1211777322 /nfs/dbraw/zinc/77/73/22/1211777322.db2.gz JDUMLONLFZASDB-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931878501 1211777325 /nfs/dbraw/zinc/77/73/25/1211777325.db2.gz JDUMLONLFZASDB-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931878501 1211777332 /nfs/dbraw/zinc/77/73/32/1211777332.db2.gz JDUMLONLFZASDB-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883196 1211779949 /nfs/dbraw/zinc/77/99/49/1211779949.db2.gz FAFBCZFOYMIYEQ-KSZLIROESA-N 2 1 356.470 0.397 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883196 1211779952 /nfs/dbraw/zinc/77/99/52/1211779952.db2.gz FAFBCZFOYMIYEQ-KSZLIROESA-N 2 1 356.470 0.397 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883196 1211779961 /nfs/dbraw/zinc/77/99/61/1211779961.db2.gz FAFBCZFOYMIYEQ-KSZLIROESA-N 2 1 356.470 0.397 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931883196 1211779964 /nfs/dbraw/zinc/77/99/64/1211779964.db2.gz FAFBCZFOYMIYEQ-KSZLIROESA-N 2 1 356.470 0.397 20 0 FCADMP Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001111022776 1211795354 /nfs/dbraw/zinc/79/53/54/1211795354.db2.gz XCPKAWMNHUWGLO-AHCXZYCDSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001111022776 1211795361 /nfs/dbraw/zinc/79/53/61/1211795361.db2.gz XCPKAWMNHUWGLO-AHCXZYCDSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000932814820 1211823433 /nfs/dbraw/zinc/82/34/33/1211823433.db2.gz COZDKTRVDMVTHZ-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000932814820 1211823437 /nfs/dbraw/zinc/82/34/37/1211823437.db2.gz COZDKTRVDMVTHZ-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001111141954 1211897731 /nfs/dbraw/zinc/89/77/31/1211897731.db2.gz OAHQVFCZKZEWOI-FCEWJHQRSA-N 2 1 361.490 0.881 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001111141954 1211897734 /nfs/dbraw/zinc/89/77/34/1211897734.db2.gz OAHQVFCZKZEWOI-FCEWJHQRSA-N 2 1 361.490 0.881 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001095765540 1211979223 /nfs/dbraw/zinc/97/92/23/1211979223.db2.gz JCRBVHVMQJULOR-BSWAZPDLSA-N 2 1 353.426 0.900 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001095765540 1211979240 /nfs/dbraw/zinc/97/92/40/1211979240.db2.gz JCRBVHVMQJULOR-BSWAZPDLSA-N 2 1 353.426 0.900 20 0 FCADMP CCCn1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cn1 ZINC000188958011 1212139256 /nfs/dbraw/zinc/13/92/56/1212139256.db2.gz OIDZYVIALBIGLV-UHFFFAOYSA-N 2 1 364.494 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000948385089 1212165262 /nfs/dbraw/zinc/16/52/62/1212165262.db2.gz IXDHBLTUYRRUED-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000948385089 1212165263 /nfs/dbraw/zinc/16/52/63/1212165263.db2.gz IXDHBLTUYRRUED-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000948385089 1212165266 /nfs/dbraw/zinc/16/52/66/1212165266.db2.gz IXDHBLTUYRRUED-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCn2cncn2)O1 ZINC000968906824 1212173889 /nfs/dbraw/zinc/17/38/89/1212173889.db2.gz IDSVHHQAVOGJIG-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCn2cncn2)O1 ZINC000968906824 1212173897 /nfs/dbraw/zinc/17/38/97/1212173897.db2.gz IDSVHHQAVOGJIG-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCn2cncn2)O1 ZINC000968906824 1212173901 /nfs/dbraw/zinc/17/39/01/1212173901.db2.gz IDSVHHQAVOGJIG-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCn2cncn2)O1 ZINC000968906824 1212173908 /nfs/dbraw/zinc/17/39/08/1212173908.db2.gz IDSVHHQAVOGJIG-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCn2cccn2)O1 ZINC000968906973 1212174241 /nfs/dbraw/zinc/17/42/41/1212174241.db2.gz NDJNBIXYVOOCMN-FGTMMUONSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCn2cccn2)O1 ZINC000968906973 1212174245 /nfs/dbraw/zinc/17/42/45/1212174245.db2.gz NDJNBIXYVOOCMN-FGTMMUONSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCn2cccn2)O1 ZINC000968906973 1212174249 /nfs/dbraw/zinc/17/42/49/1212174249.db2.gz NDJNBIXYVOOCMN-FGTMMUONSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCn2cccn2)O1 ZINC000968906973 1212174254 /nfs/dbraw/zinc/17/42/54/1212174254.db2.gz NDJNBIXYVOOCMN-FGTMMUONSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC000948541688 1212196899 /nfs/dbraw/zinc/19/68/99/1212196899.db2.gz IEBHYKUCIRKBHL-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC000948541688 1212196905 /nfs/dbraw/zinc/19/69/05/1212196905.db2.gz IEBHYKUCIRKBHL-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)O1 ZINC000948541688 1212196906 /nfs/dbraw/zinc/19/69/06/1212196906.db2.gz IEBHYKUCIRKBHL-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)O1 ZINC000948541688 1212196909 /nfs/dbraw/zinc/19/69/09/1212196909.db2.gz IEBHYKUCIRKBHL-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969071685 1212254675 /nfs/dbraw/zinc/25/46/75/1212254675.db2.gz AJASIFYJYKIWNY-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969071685 1212254684 /nfs/dbraw/zinc/25/46/84/1212254684.db2.gz AJASIFYJYKIWNY-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC000969071708 1212254828 /nfs/dbraw/zinc/25/48/28/1212254828.db2.gz BDYDMJPDZRZPJM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC000969071708 1212254832 /nfs/dbraw/zinc/25/48/32/1212254832.db2.gz BDYDMJPDZRZPJM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000948998350 1212272614 /nfs/dbraw/zinc/27/26/14/1212272614.db2.gz LHURUBROPAVUEW-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001007479532 1212501127 /nfs/dbraw/zinc/50/11/27/1212501127.db2.gz LKBDOEDDZMSTSW-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001007479532 1212501136 /nfs/dbraw/zinc/50/11/36/1212501136.db2.gz LKBDOEDDZMSTSW-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001007479532 1212501141 /nfs/dbraw/zinc/50/11/41/1212501141.db2.gz LKBDOEDDZMSTSW-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001007616376 1212537714 /nfs/dbraw/zinc/53/77/14/1212537714.db2.gz FDDSXUHFOBHKNM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001007616376 1212537719 /nfs/dbraw/zinc/53/77/19/1212537719.db2.gz FDDSXUHFOBHKNM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001007616376 1212537725 /nfs/dbraw/zinc/53/77/25/1212537725.db2.gz FDDSXUHFOBHKNM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001007616376 1212537729 /nfs/dbraw/zinc/53/77/29/1212537729.db2.gz FDDSXUHFOBHKNM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP COc1ccncc1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000950243775 1212539420 /nfs/dbraw/zinc/53/94/20/1212539420.db2.gz MERIBQJDZVNWKA-FVQBIDKESA-N 2 1 360.458 0.690 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3nccnc3F)CC2)CC[N@H+]1C ZINC001111323762 1212644382 /nfs/dbraw/zinc/64/43/82/1212644382.db2.gz VDVVTQRVCDPTKO-UKRRQHHQSA-N 2 1 364.469 0.948 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000779522850 1212651038 /nfs/dbraw/zinc/65/10/38/1212651038.db2.gz GDBNIBNLUFHIBZ-UHFFFAOYSA-N 2 1 359.474 0.541 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)CC[N@H+]1C ZINC001008361304 1212685386 /nfs/dbraw/zinc/68/53/86/1212685386.db2.gz AYBBBTQAHPRLEM-BZUAXINKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000950894571 1212704422 /nfs/dbraw/zinc/70/44/22/1212704422.db2.gz HDZGCGQFXHJQTH-DVOMOZLQSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000950894571 1212704424 /nfs/dbraw/zinc/70/44/24/1212704424.db2.gz HDZGCGQFXHJQTH-DVOMOZLQSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)O1 ZINC000951190747 1212783229 /nfs/dbraw/zinc/78/32/29/1212783229.db2.gz HNFFCGQXMRSDSJ-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)O1 ZINC000951190747 1212783238 /nfs/dbraw/zinc/78/32/38/1212783238.db2.gz HNFFCGQXMRSDSJ-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001009118201 1212806726 /nfs/dbraw/zinc/80/67/26/1212806726.db2.gz KYKLPIGKXOAYCW-HHARLNAUSA-N 2 1 359.474 0.352 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001009118201 1212806728 /nfs/dbraw/zinc/80/67/28/1212806728.db2.gz KYKLPIGKXOAYCW-HHARLNAUSA-N 2 1 359.474 0.352 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000193515262 1212843120 /nfs/dbraw/zinc/84/31/20/1212843120.db2.gz JTWFWUJGEWTPPU-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000953834703 1213020067 /nfs/dbraw/zinc/02/00/67/1213020067.db2.gz NAAMLYLIMNEUNA-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000953834703 1213020068 /nfs/dbraw/zinc/02/00/68/1213020068.db2.gz NAAMLYLIMNEUNA-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953834703 1213020069 /nfs/dbraw/zinc/02/00/69/1213020069.db2.gz NAAMLYLIMNEUNA-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953834703 1213020070 /nfs/dbraw/zinc/02/00/70/1213020070.db2.gz NAAMLYLIMNEUNA-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@H](C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000954049247 1213036970 /nfs/dbraw/zinc/03/69/70/1213036970.db2.gz VQWQNPNSHLKGBV-DJIMGWMZSA-N 2 1 368.522 0.495 20 0 FCADMP CC[C@H](C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000954049247 1213036973 /nfs/dbraw/zinc/03/69/73/1213036973.db2.gz VQWQNPNSHLKGBV-DJIMGWMZSA-N 2 1 368.522 0.495 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954278826 1213054782 /nfs/dbraw/zinc/05/47/82/1213054782.db2.gz PTIPIMWGZASVGE-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954278826 1213054785 /nfs/dbraw/zinc/05/47/85/1213054785.db2.gz PTIPIMWGZASVGE-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954278826 1213054786 /nfs/dbraw/zinc/05/47/86/1213054786.db2.gz PTIPIMWGZASVGE-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954278826 1213054789 /nfs/dbraw/zinc/05/47/89/1213054789.db2.gz PTIPIMWGZASVGE-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954278826 1213054792 /nfs/dbraw/zinc/05/47/92/1213054792.db2.gz PTIPIMWGZASVGE-HYVNUMGLSA-N 2 1 366.506 0.248 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000954412441 1213071273 /nfs/dbraw/zinc/07/12/73/1213071273.db2.gz IKSIUVZOPBIDAR-RCCFBDPRSA-N 2 1 362.518 0.728 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954497317 1213079810 /nfs/dbraw/zinc/07/98/10/1213079810.db2.gz YHKKFXKXROOLLY-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954497317 1213079815 /nfs/dbraw/zinc/07/98/15/1213079815.db2.gz YHKKFXKXROOLLY-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954497317 1213079819 /nfs/dbraw/zinc/07/98/19/1213079819.db2.gz YHKKFXKXROOLLY-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954497317 1213079824 /nfs/dbraw/zinc/07/98/24/1213079824.db2.gz YHKKFXKXROOLLY-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000246357120 1213081377 /nfs/dbraw/zinc/08/13/77/1213081377.db2.gz KSELXZGSAAGXDB-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000246357120 1213081382 /nfs/dbraw/zinc/08/13/82/1213081382.db2.gz KSELXZGSAAGXDB-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000246357120 1213081387 /nfs/dbraw/zinc/08/13/87/1213081387.db2.gz KSELXZGSAAGXDB-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648105 1213097276 /nfs/dbraw/zinc/09/72/76/1213097276.db2.gz JGVWCXCHJFYTRT-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648105 1213097283 /nfs/dbraw/zinc/09/72/83/1213097283.db2.gz JGVWCXCHJFYTRT-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954648105 1213097288 /nfs/dbraw/zinc/09/72/88/1213097288.db2.gz JGVWCXCHJFYTRT-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954648105 1213097295 /nfs/dbraw/zinc/09/72/95/1213097295.db2.gz JGVWCXCHJFYTRT-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1)C1CC1 ZINC001221669705 1225430330 /nfs/dbraw/zinc/43/03/30/1225430330.db2.gz XBFXYIRTJIQRJH-IAGOWNOFSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1)C1CC1 ZINC001221669705 1225430335 /nfs/dbraw/zinc/43/03/35/1225430335.db2.gz XBFXYIRTJIQRJH-IAGOWNOFSA-N 2 1 360.502 0.674 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000956377565 1213188509 /nfs/dbraw/zinc/18/85/09/1213188509.db2.gz APOLORVAZXAZQO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000956377565 1213188512 /nfs/dbraw/zinc/18/85/12/1213188512.db2.gz APOLORVAZXAZQO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000956377565 1213188514 /nfs/dbraw/zinc/18/85/14/1213188514.db2.gz APOLORVAZXAZQO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000956377565 1213188519 /nfs/dbraw/zinc/18/85/19/1213188519.db2.gz APOLORVAZXAZQO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000956377565 1213188521 /nfs/dbraw/zinc/18/85/21/1213188521.db2.gz APOLORVAZXAZQO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000956412223 1213193340 /nfs/dbraw/zinc/19/33/40/1213193340.db2.gz IWXFSMOUVUFSNK-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000956412223 1213193342 /nfs/dbraw/zinc/19/33/42/1213193342.db2.gz IWXFSMOUVUFSNK-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000956412223 1213193345 /nfs/dbraw/zinc/19/33/45/1213193345.db2.gz IWXFSMOUVUFSNK-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000956412223 1213193347 /nfs/dbraw/zinc/19/33/47/1213193347.db2.gz IWXFSMOUVUFSNK-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796613 1213215945 /nfs/dbraw/zinc/21/59/45/1213215945.db2.gz DNJJAUOPXMSDSF-DLBZAZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641796613 1213215950 /nfs/dbraw/zinc/21/59/50/1213215950.db2.gz DNJJAUOPXMSDSF-DLBZAZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641796613 1213215956 /nfs/dbraw/zinc/21/59/56/1213215956.db2.gz DNJJAUOPXMSDSF-DLBZAZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641796614 1213216069 /nfs/dbraw/zinc/21/60/69/1213216069.db2.gz DNJJAUOPXMSDSF-IAGOWNOFSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641796614 1213216072 /nfs/dbraw/zinc/21/60/72/1213216072.db2.gz DNJJAUOPXMSDSF-IAGOWNOFSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641796614 1213216075 /nfs/dbraw/zinc/21/60/75/1213216075.db2.gz DNJJAUOPXMSDSF-IAGOWNOFSA-N 2 1 365.522 0.319 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC000960530643 1213806245 /nfs/dbraw/zinc/80/62/45/1213806245.db2.gz WLIXPKUFPJAADX-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC000960530643 1213806247 /nfs/dbraw/zinc/80/62/47/1213806247.db2.gz WLIXPKUFPJAADX-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP COc1cccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC000960530643 1213806248 /nfs/dbraw/zinc/80/62/48/1213806248.db2.gz WLIXPKUFPJAADX-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP COc1cccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC000960530643 1213806249 /nfs/dbraw/zinc/80/62/49/1213806249.db2.gz WLIXPKUFPJAADX-SFKBXODTSA-N 2 1 359.470 0.961 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011208777 1213848982 /nfs/dbraw/zinc/84/89/82/1213848982.db2.gz OHGIXAZUHJUZCY-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011208777 1213848983 /nfs/dbraw/zinc/84/89/83/1213848983.db2.gz OHGIXAZUHJUZCY-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011208777 1213848987 /nfs/dbraw/zinc/84/89/87/1213848987.db2.gz OHGIXAZUHJUZCY-KZNAEPCWSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3cc(CO)ccc3F)C2)O1 ZINC001014919001 1213975990 /nfs/dbraw/zinc/97/59/90/1213975990.db2.gz DICCDRUSEGNHJE-MZMPZRCHSA-N 2 1 365.449 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3cc(CO)ccc3F)C2)O1 ZINC001014919001 1213975995 /nfs/dbraw/zinc/97/59/95/1213975995.db2.gz DICCDRUSEGNHJE-MZMPZRCHSA-N 2 1 365.449 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001017133268 1214074597 /nfs/dbraw/zinc/07/45/97/1214074597.db2.gz QKCHVOYUJLVJKB-QLFBSQMISA-N 2 1 364.494 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001017133268 1214074600 /nfs/dbraw/zinc/07/46/00/1214074600.db2.gz QKCHVOYUJLVJKB-QLFBSQMISA-N 2 1 364.494 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001017133268 1214074607 /nfs/dbraw/zinc/07/46/07/1214074607.db2.gz QKCHVOYUJLVJKB-QLFBSQMISA-N 2 1 364.494 0.119 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cncn3C)C2)O1 ZINC001017153744 1214076976 /nfs/dbraw/zinc/07/69/76/1214076976.db2.gz QUGVFSNCQRSAQK-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cncn3C)C2)O1 ZINC001017153744 1214076986 /nfs/dbraw/zinc/07/69/86/1214076986.db2.gz QUGVFSNCQRSAQK-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3cncn3C)C2)O1 ZINC001017153744 1214076997 /nfs/dbraw/zinc/07/69/97/1214076997.db2.gz QUGVFSNCQRSAQK-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cncn3C)C2)O1 ZINC001017153744 1214077007 /nfs/dbraw/zinc/07/70/07/1214077007.db2.gz QUGVFSNCQRSAQK-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC[N@H+]1C ZINC001017488129 1214102407 /nfs/dbraw/zinc/10/24/07/1214102407.db2.gz BXLAHBURGCKDEY-ZTFGCOKTSA-N 2 1 362.518 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)CC[N@H+]1C ZINC001018878999 1214168828 /nfs/dbraw/zinc/16/88/28/1214168828.db2.gz BMJGPMIHRPWUOO-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)CC[NH+]1C ZINC001018878999 1214168830 /nfs/dbraw/zinc/16/88/30/1214168830.db2.gz BMJGPMIHRPWUOO-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCC[N@H+]4C)C3)C2)CC[NH+]1C ZINC001018878999 1214168833 /nfs/dbraw/zinc/16/88/33/1214168833.db2.gz BMJGPMIHRPWUOO-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC001019032311 1214183238 /nfs/dbraw/zinc/18/32/38/1214183238.db2.gz PJPQQKQBUUZQMQ-XOKHGSTOSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC001019032311 1214183240 /nfs/dbraw/zinc/18/32/40/1214183240.db2.gz PJPQQKQBUUZQMQ-XOKHGSTOSA-N 2 1 360.458 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@H+]1C ZINC001019041800 1214184705 /nfs/dbraw/zinc/18/47/05/1214184705.db2.gz KUMUUPDANYXMOW-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCC[NH+]2C)C3)CC[N@H+]1C ZINC001019069559 1214189047 /nfs/dbraw/zinc/18/90/47/1214189047.db2.gz WOZKECYCFNOSIX-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C3)CC[NH+]1C ZINC001019069559 1214189049 /nfs/dbraw/zinc/18/90/49/1214189049.db2.gz WOZKECYCFNOSIX-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C3)CC[NH+]1C ZINC001019069559 1214189053 /nfs/dbraw/zinc/18/90/53/1214189053.db2.gz WOZKECYCFNOSIX-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C3)CC[N@H+]1C ZINC001019070143 1214190783 /nfs/dbraw/zinc/19/07/83/1214190783.db2.gz APWWYRHAVQARTA-OIISXLGYSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C4CC4)[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001019108288 1214197550 /nfs/dbraw/zinc/19/75/50/1214197550.db2.gz LIVJUNWCDOBORZ-OIISXLGYSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C3)C2)CC[NH+]1C ZINC001019443323 1214242696 /nfs/dbraw/zinc/24/26/96/1214242696.db2.gz MKGVCCCZCFXNFZ-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CC[C@H](C)C4)C3)C2)CC[N@@H+]1C ZINC001019443323 1214242704 /nfs/dbraw/zinc/24/27/04/1214242704.db2.gz MKGVCCCZCFXNFZ-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CC[C@H](C)C4)C3)C2)CC[N@H+]1C ZINC001019443323 1214242708 /nfs/dbraw/zinc/24/27/08/1214242708.db2.gz MKGVCCCZCFXNFZ-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961665608 1214261386 /nfs/dbraw/zinc/26/13/86/1214261386.db2.gz ZUJGOOZJUISDHT-SFFUCWETSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)O1 ZINC001020288085 1214329962 /nfs/dbraw/zinc/32/99/62/1214329962.db2.gz YRZKIYUCGPVFQF-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)O1 ZINC001020288085 1214329966 /nfs/dbraw/zinc/32/99/66/1214329966.db2.gz YRZKIYUCGPVFQF-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC000961857434 1214336470 /nfs/dbraw/zinc/33/64/70/1214336470.db2.gz TVJUCZMIMRWLEI-PFSRBDOWSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC000961857434 1214336475 /nfs/dbraw/zinc/33/64/75/1214336475.db2.gz TVJUCZMIMRWLEI-PFSRBDOWSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC000961856903 1214336588 /nfs/dbraw/zinc/33/65/88/1214336588.db2.gz QGDPSPHNASPTLD-FPCDFSMTSA-N 2 1 361.494 0.723 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719412 1214368233 /nfs/dbraw/zinc/36/82/33/1214368233.db2.gz ZXEKGAAJOPNHCG-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719412 1214368237 /nfs/dbraw/zinc/36/82/37/1214368237.db2.gz ZXEKGAAJOPNHCG-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719412 1214368241 /nfs/dbraw/zinc/36/82/41/1214368241.db2.gz ZXEKGAAJOPNHCG-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001038719412 1214368242 /nfs/dbraw/zinc/36/82/42/1214368242.db2.gz ZXEKGAAJOPNHCG-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039580898 1214387713 /nfs/dbraw/zinc/38/77/13/1214387713.db2.gz GUULWGNKNRUBJZ-PMPSAXMXSA-N 2 1 370.461 0.643 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039580898 1214387719 /nfs/dbraw/zinc/38/77/19/1214387719.db2.gz GUULWGNKNRUBJZ-PMPSAXMXSA-N 2 1 370.461 0.643 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001039865041 1214449967 /nfs/dbraw/zinc/44/99/67/1214449967.db2.gz KJRTUHWPEQGHSI-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NC2CC2)C3)CC[N@H+]1C ZINC001040211576 1214485359 /nfs/dbraw/zinc/48/53/59/1214485359.db2.gz XOIFXIJTCJJLHQ-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001040211576 1214485364 /nfs/dbraw/zinc/48/53/64/1214485364.db2.gz XOIFXIJTCJJLHQ-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001040211576 1214485368 /nfs/dbraw/zinc/48/53/68/1214485368.db2.gz XOIFXIJTCJJLHQ-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001040745829 1214579685 /nfs/dbraw/zinc/57/96/85/1214579685.db2.gz QLNCGHHEXNIYAM-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)N(C)C)CC3)O1 ZINC001040745829 1214579692 /nfs/dbraw/zinc/57/96/92/1214579692.db2.gz QLNCGHHEXNIYAM-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001221947004 1225546553 /nfs/dbraw/zinc/54/65/53/1225546553.db2.gz MSVQQQWEIBSOSF-GDBMZVCRSA-N 2 1 362.478 0.203 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950451 1225548469 /nfs/dbraw/zinc/54/84/69/1225548469.db2.gz IQSSMBIITSPPKS-FGTMMUONSA-N 2 1 371.522 0.131 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950111 1225548498 /nfs/dbraw/zinc/54/84/98/1225548498.db2.gz UOHWDDPRTWHKHK-HZPDHXFCSA-N 2 1 363.506 0.323 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950111 1225548501 /nfs/dbraw/zinc/54/85/01/1225548501.db2.gz UOHWDDPRTWHKHK-HZPDHXFCSA-N 2 1 363.506 0.323 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001221949692 1225548899 /nfs/dbraw/zinc/54/88/99/1225548899.db2.gz DZTLFMITVSQPKG-NVXWUHKLSA-N 2 1 360.502 0.626 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001221949692 1225548906 /nfs/dbraw/zinc/54/89/06/1225548906.db2.gz DZTLFMITVSQPKG-NVXWUHKLSA-N 2 1 360.502 0.626 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221950177 1225549359 /nfs/dbraw/zinc/54/93/59/1225549359.db2.gz WOVMCIRXRQGRNV-FGTMMUONSA-N 2 1 363.502 0.811 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947144 1225548030 /nfs/dbraw/zinc/54/80/30/1225548030.db2.gz UVKYGUOASWPBPR-HZPDHXFCSA-N 2 1 365.478 0.422 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966969 1225556381 /nfs/dbraw/zinc/55/63/81/1225556381.db2.gz NHYMPNLAZLAZFB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966969 1225556383 /nfs/dbraw/zinc/55/63/83/1225556383.db2.gz NHYMPNLAZLAZFB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966969 1225556387 /nfs/dbraw/zinc/55/63/87/1225556387.db2.gz NHYMPNLAZLAZFB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966969 1225556389 /nfs/dbraw/zinc/55/63/89/1225556389.db2.gz NHYMPNLAZLAZFB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000963874341 1214866042 /nfs/dbraw/zinc/86/60/42/1214866042.db2.gz UXFAQLNIHQGWRU-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000964211571 1214915039 /nfs/dbraw/zinc/91/50/39/1214915039.db2.gz KIAPWUDATMIHKM-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000965987084 1215156775 /nfs/dbraw/zinc/15/67/75/1215156775.db2.gz QNUWJBOJIFQSES-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000965987084 1215156779 /nfs/dbraw/zinc/15/67/79/1215156779.db2.gz QNUWJBOJIFQSES-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000965987084 1215156780 /nfs/dbraw/zinc/15/67/80/1215156780.db2.gz QNUWJBOJIFQSES-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP COC(=O)N1CCC(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000796510359 1215219421 /nfs/dbraw/zinc/21/94/21/1215219421.db2.gz NWLWVNKEZZDFND-UHFFFAOYSA-N 2 1 362.478 0.796 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC000652890174 1215264079 /nfs/dbraw/zinc/26/40/79/1215264079.db2.gz ROFZPPVOUCOKRI-HXUWFJFHSA-N 2 1 372.513 0.785 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC000652890174 1215264081 /nfs/dbraw/zinc/26/40/81/1215264081.db2.gz ROFZPPVOUCOKRI-HXUWFJFHSA-N 2 1 372.513 0.785 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042575 1225587456 /nfs/dbraw/zinc/58/74/56/1225587456.db2.gz GLHUUEJFTAKNQI-GUDVDZBRSA-N 2 1 361.486 0.902 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000968007942 1215271114 /nfs/dbraw/zinc/27/11/14/1215271114.db2.gz CECJCWJLJRKKEL-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000968007942 1215271117 /nfs/dbraw/zinc/27/11/17/1215271117.db2.gz CECJCWJLJRKKEL-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968011038 1215272585 /nfs/dbraw/zinc/27/25/85/1215272585.db2.gz WHTUKHGXHVQVAN-ZTFGCOKTSA-N 2 1 362.518 0.728 20 0 FCADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442817 1225625109 /nfs/dbraw/zinc/62/51/09/1225625109.db2.gz NMBDQZRZUZJMPY-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442817 1225625111 /nfs/dbraw/zinc/62/51/11/1225625111.db2.gz NMBDQZRZUZJMPY-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442817 1225625113 /nfs/dbraw/zinc/62/51/13/1225625113.db2.gz NMBDQZRZUZJMPY-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442817 1225625115 /nfs/dbraw/zinc/62/51/15/1225625115.db2.gz NMBDQZRZUZJMPY-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055647374 1215897445 /nfs/dbraw/zinc/89/74/45/1215897445.db2.gz RGSVEYFBTOXJFM-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055651533 1215899430 /nfs/dbraw/zinc/89/94/30/1215899430.db2.gz PXQGFDLOHHVRMN-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000476828 1216068391 /nfs/dbraw/zinc/06/83/91/1216068391.db2.gz MTNLWONLHIYSEZ-NCOADZHNSA-N 2 1 360.502 0.672 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001222800235 1225654028 /nfs/dbraw/zinc/65/40/28/1225654028.db2.gz VIFTUWAUZCGCIR-OIISXLGYSA-N 2 1 368.497 0.868 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001222800235 1225654033 /nfs/dbraw/zinc/65/40/33/1225654033.db2.gz VIFTUWAUZCGCIR-OIISXLGYSA-N 2 1 368.497 0.868 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276841925 1225656068 /nfs/dbraw/zinc/65/60/68/1225656068.db2.gz GLUXUSYRGNHLQO-RDTXWAMCSA-N 2 1 361.446 0.632 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001222799000 1225653346 /nfs/dbraw/zinc/65/33/46/1225653346.db2.gz CGXNEXQAPLCPIO-ZACQAIPSSA-N 2 1 368.497 0.821 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001222799000 1225653351 /nfs/dbraw/zinc/65/33/51/1225653351.db2.gz CGXNEXQAPLCPIO-ZACQAIPSSA-N 2 1 368.497 0.821 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001050336617 1216309340 /nfs/dbraw/zinc/30/93/40/1216309340.db2.gz OODPYMFXPUWFHX-KCYZZUKISA-N 2 1 364.494 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001050336617 1216309343 /nfs/dbraw/zinc/30/93/43/1216309343.db2.gz OODPYMFXPUWFHX-KCYZZUKISA-N 2 1 364.494 0.299 20 0 FCADMP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222891635 1225663736 /nfs/dbraw/zinc/66/37/36/1225663736.db2.gz HJLUKRJBLCKRAR-SQNIBIBYSA-N 2 1 363.506 0.773 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222891635 1225663738 /nfs/dbraw/zinc/66/37/38/1225663738.db2.gz HJLUKRJBLCKRAR-SQNIBIBYSA-N 2 1 363.506 0.773 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1)C1CC1 ZINC001222892930 1225663795 /nfs/dbraw/zinc/66/37/95/1225663795.db2.gz UREACRWFFOOBCL-JLSDUUJJSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@H](C)[N@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001276850822 1225667976 /nfs/dbraw/zinc/66/79/76/1225667976.db2.gz GPLVNQCSCXIOOT-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051623334 1216467501 /nfs/dbraw/zinc/46/75/01/1216467501.db2.gz FLVMHSXYIYYQQB-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3CC)C2)CC[N@@H+]1C ZINC001051624654 1216469445 /nfs/dbraw/zinc/46/94/45/1216469445.db2.gz SBGUKKNKBFIXQK-HRCADAONSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3CC)C2)CC[N@H+]1C ZINC001051624654 1216469452 /nfs/dbraw/zinc/46/94/52/1216469452.db2.gz SBGUKKNKBFIXQK-HRCADAONSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccn(CC)n3)C2)CC[N@H+]1C ZINC001051624928 1216469644 /nfs/dbraw/zinc/46/96/44/1216469644.db2.gz VZBMVBIKGSBPKO-FGTMMUONSA-N 2 1 363.506 0.950 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052487635 1216560880 /nfs/dbraw/zinc/56/08/80/1216560880.db2.gz ANOHFTHMJGKULQ-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052487635 1216560883 /nfs/dbraw/zinc/56/08/83/1216560883.db2.gz ANOHFTHMJGKULQ-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487635 1216560889 /nfs/dbraw/zinc/56/08/89/1216560889.db2.gz ANOHFTHMJGKULQ-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487635 1216560895 /nfs/dbraw/zinc/56/08/95/1216560895.db2.gz ANOHFTHMJGKULQ-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057854621 1216595712 /nfs/dbraw/zinc/59/57/12/1216595712.db2.gz OZYAPJILYTYDTD-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000827539469 1216628093 /nfs/dbraw/zinc/62/80/93/1216628093.db2.gz GAYMMTHAXZOTGG-UHFFFAOYSA-N 2 1 354.418 0.836 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885019 1216765183 /nfs/dbraw/zinc/76/51/83/1216765183.db2.gz LOBQGMDCTFVFBL-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885019 1216765189 /nfs/dbraw/zinc/76/51/89/1216765189.db2.gz LOBQGMDCTFVFBL-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885019 1216765196 /nfs/dbraw/zinc/76/51/96/1216765196.db2.gz LOBQGMDCTFVFBL-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885198 1216765626 /nfs/dbraw/zinc/76/56/26/1216765626.db2.gz PRROJAIDMKYFTG-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885198 1216765631 /nfs/dbraw/zinc/76/56/31/1216765631.db2.gz PRROJAIDMKYFTG-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885198 1216765633 /nfs/dbraw/zinc/76/56/33/1216765633.db2.gz PRROJAIDMKYFTG-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001069038576 1216773783 /nfs/dbraw/zinc/77/37/83/1216773783.db2.gz GFPDFCXLLUZKAN-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001069038576 1216773786 /nfs/dbraw/zinc/77/37/86/1216773786.db2.gz GFPDFCXLLUZKAN-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001069038576 1216773793 /nfs/dbraw/zinc/77/37/93/1216773793.db2.gz GFPDFCXLLUZKAN-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905822 1216832290 /nfs/dbraw/zinc/83/22/90/1216832290.db2.gz RIATZAIXIHPJIE-OWCLPIDISA-N 2 1 364.494 0.386 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905822 1216832291 /nfs/dbraw/zinc/83/22/91/1216832291.db2.gz RIATZAIXIHPJIE-OWCLPIDISA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905822 1216832293 /nfs/dbraw/zinc/83/22/93/1216832293.db2.gz RIATZAIXIHPJIE-OWCLPIDISA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905822 1216832295 /nfs/dbraw/zinc/83/22/95/1216832295.db2.gz RIATZAIXIHPJIE-OWCLPIDISA-N 2 1 364.494 0.386 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928998 1216849458 /nfs/dbraw/zinc/84/94/58/1216849458.db2.gz PQVMWRMLBCLZSU-KURKYZTESA-N 2 1 358.490 0.762 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968127 1216874744 /nfs/dbraw/zinc/87/47/44/1216874744.db2.gz IDVVRSSYCDCJOY-XHSDSOJGSA-N 2 1 362.478 0.283 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968127 1216874747 /nfs/dbraw/zinc/87/47/47/1216874747.db2.gz IDVVRSSYCDCJOY-XHSDSOJGSA-N 2 1 362.478 0.283 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)CCO1 ZINC001223424929 1225705982 /nfs/dbraw/zinc/70/59/82/1225705982.db2.gz JXHABRQDQMTHCJ-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430948 1225706159 /nfs/dbraw/zinc/70/61/59/1225706159.db2.gz SQJQIBZHLPJKIO-KKUMJFAQSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430945 1225706201 /nfs/dbraw/zinc/70/62/01/1225706201.db2.gz SQJQIBZHLPJKIO-ILXRZTDVSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500948 1225710354 /nfs/dbraw/zinc/71/03/54/1225710354.db2.gz ZUOBHBLGZGFRHN-JQHSSLGASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500948 1225710358 /nfs/dbraw/zinc/71/03/58/1225710358.db2.gz ZUOBHBLGZGFRHN-JQHSSLGASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500948 1225710361 /nfs/dbraw/zinc/71/03/61/1225710361.db2.gz ZUOBHBLGZGFRHN-JQHSSLGASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500948 1225710365 /nfs/dbraw/zinc/71/03/65/1225710365.db2.gz ZUOBHBLGZGFRHN-JQHSSLGASA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223683751 1225726839 /nfs/dbraw/zinc/72/68/39/1225726839.db2.gz JXHYJPQHKGYJKG-MSOLQXFVSA-N 2 1 364.490 0.903 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223683751 1225726842 /nfs/dbraw/zinc/72/68/42/1225726842.db2.gz JXHYJPQHKGYJKG-MSOLQXFVSA-N 2 1 364.490 0.903 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001041252752 1217256536 /nfs/dbraw/zinc/25/65/36/1217256536.db2.gz ZJNBTTNWOYRYMX-JFIYKMOQSA-N 2 1 359.474 0.634 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2O)C1 ZINC001041301159 1217272767 /nfs/dbraw/zinc/27/27/67/1217272767.db2.gz XVVABAUUQAEFDB-GVDBMIGSSA-N 2 1 361.490 0.881 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2O)C1 ZINC001041301159 1217272780 /nfs/dbraw/zinc/27/27/80/1217272780.db2.gz XVVABAUUQAEFDB-GVDBMIGSSA-N 2 1 361.490 0.881 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@@H+]1C ZINC001041302682 1217274362 /nfs/dbraw/zinc/27/43/62/1217274362.db2.gz XXHCXGYWSRSEFN-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@H+]1C ZINC001041302682 1217274375 /nfs/dbraw/zinc/27/43/75/1217274375.db2.gz XXHCXGYWSRSEFN-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001041302682 1217274382 /nfs/dbraw/zinc/27/43/82/1217274382.db2.gz XXHCXGYWSRSEFN-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001041302682 1217274387 /nfs/dbraw/zinc/27/43/87/1217274387.db2.gz XXHCXGYWSRSEFN-SCTDSRPQSA-N 2 1 360.506 0.970 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nc(C)[nH+]1 ZINC001041387613 1217306907 /nfs/dbraw/zinc/30/69/07/1217306907.db2.gz KAQFHVZVIHFSSW-YLFCFFPRSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nc(C)[nH+]1 ZINC001041387613 1217306913 /nfs/dbraw/zinc/30/69/13/1217306913.db2.gz KAQFHVZVIHFSSW-YLFCFFPRSA-N 2 1 361.490 0.743 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ccnn4C)C3)C2)O1 ZINC001041403011 1217314038 /nfs/dbraw/zinc/31/40/38/1217314038.db2.gz MMKLJDVRAHYLFY-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ccnn4C)C3)C2)O1 ZINC001041403011 1217314043 /nfs/dbraw/zinc/31/40/43/1217314043.db2.gz MMKLJDVRAHYLFY-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccnn4C)C3)C2)O1 ZINC001041403011 1217314047 /nfs/dbraw/zinc/31/40/47/1217314047.db2.gz MMKLJDVRAHYLFY-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccnn4C)C3)C2)O1 ZINC001041403011 1217314052 /nfs/dbraw/zinc/31/40/52/1217314052.db2.gz MMKLJDVRAHYLFY-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](CCn4cccn4)C3)C2)O1 ZINC001041402961 1217314175 /nfs/dbraw/zinc/31/41/75/1217314175.db2.gz LSSVDCJFTLRODR-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](CCn4cccn4)C3)C2)O1 ZINC001041402961 1217314183 /nfs/dbraw/zinc/31/41/83/1217314183.db2.gz LSSVDCJFTLRODR-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCn4cccn4)C3)C2)O1 ZINC001041402961 1217314190 /nfs/dbraw/zinc/31/41/90/1217314190.db2.gz LSSVDCJFTLRODR-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCn4cccn4)C3)C2)O1 ZINC001041402961 1217314196 /nfs/dbraw/zinc/31/41/96/1217314196.db2.gz LSSVDCJFTLRODR-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276917951 1225734153 /nfs/dbraw/zinc/73/41/53/1225734153.db2.gz JUXVFCJNZFJOMA-SFHVURJKSA-N 2 1 363.462 0.055 20 0 FCADMP Cc1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)cn1 ZINC001223916408 1225746160 /nfs/dbraw/zinc/74/61/60/1225746160.db2.gz GWCMNVYWHMSQQD-AEFFLSMTSA-N 2 1 361.490 0.786 20 0 FCADMP Cc1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)cn1 ZINC001223916408 1225746163 /nfs/dbraw/zinc/74/61/63/1225746163.db2.gz GWCMNVYWHMSQQD-AEFFLSMTSA-N 2 1 361.490 0.786 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130017 1225758770 /nfs/dbraw/zinc/75/87/70/1225758770.db2.gz LIQMJUVNBLLKMP-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130017 1225758773 /nfs/dbraw/zinc/75/87/73/1225758773.db2.gz LIQMJUVNBLLKMP-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130017 1225758777 /nfs/dbraw/zinc/75/87/77/1225758777.db2.gz LIQMJUVNBLLKMP-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130017 1225758780 /nfs/dbraw/zinc/75/87/80/1225758780.db2.gz LIQMJUVNBLLKMP-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130017 1225758785 /nfs/dbraw/zinc/75/87/85/1225758785.db2.gz LIQMJUVNBLLKMP-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130614 1225759701 /nfs/dbraw/zinc/75/97/01/1225759701.db2.gz SQCNNWKEEWOBKF-SQNIBIBYSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130614 1225759703 /nfs/dbraw/zinc/75/97/03/1225759703.db2.gz SQCNNWKEEWOBKF-SQNIBIBYSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130614 1225759706 /nfs/dbraw/zinc/75/97/06/1225759706.db2.gz SQCNNWKEEWOBKF-SQNIBIBYSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCC[NH+]3CCN(C)CC3)C2)CC1 ZINC001276960096 1225769849 /nfs/dbraw/zinc/76/98/49/1225769849.db2.gz OQNGKMHEADMAOK-GOSISDBHSA-N 2 1 366.550 0.709 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044778340 1217879415 /nfs/dbraw/zinc/87/94/15/1217879415.db2.gz DYLBHLJYURYDKP-ZACQAIPSSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044778340 1217879417 /nfs/dbraw/zinc/87/94/17/1217879417.db2.gz DYLBHLJYURYDKP-ZACQAIPSSA-N 2 1 361.490 0.880 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001096014009 1217913892 /nfs/dbraw/zinc/91/38/92/1217913892.db2.gz WDKQFPWLANRWSH-FZKCQIBNSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001096014009 1217913895 /nfs/dbraw/zinc/91/38/95/1217913895.db2.gz WDKQFPWLANRWSH-FZKCQIBNSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001096014009 1217913901 /nfs/dbraw/zinc/91/39/01/1217913901.db2.gz WDKQFPWLANRWSH-FZKCQIBNSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001096014009 1217913905 /nfs/dbraw/zinc/91/39/05/1217913905.db2.gz WDKQFPWLANRWSH-FZKCQIBNSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096017381 1217917546 /nfs/dbraw/zinc/91/75/46/1217917546.db2.gz OACURATVZLUXQE-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096017381 1217917552 /nfs/dbraw/zinc/91/75/52/1217917552.db2.gz OACURATVZLUXQE-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096017381 1217917555 /nfs/dbraw/zinc/91/75/55/1217917555.db2.gz OACURATVZLUXQE-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096017381 1217917557 /nfs/dbraw/zinc/91/75/57/1217917557.db2.gz OACURATVZLUXQE-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001045476812 1217931963 /nfs/dbraw/zinc/93/19/63/1217931963.db2.gz FCUDJHPYCJNJIU-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001045476812 1217931970 /nfs/dbraw/zinc/93/19/70/1217931970.db2.gz FCUDJHPYCJNJIU-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001045947083 1217979153 /nfs/dbraw/zinc/97/91/53/1217979153.db2.gz ISQHVJMIPQQXBM-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001045947083 1217979165 /nfs/dbraw/zinc/97/91/65/1217979165.db2.gz ISQHVJMIPQQXBM-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001045947083 1217979171 /nfs/dbraw/zinc/97/91/71/1217979171.db2.gz ISQHVJMIPQQXBM-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001045947083 1217979177 /nfs/dbraw/zinc/97/91/77/1217979177.db2.gz ISQHVJMIPQQXBM-MDZRGWNJSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCN(CCO[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001224552923 1225784105 /nfs/dbraw/zinc/78/41/05/1225784105.db2.gz UIFSNIVIGTYOJT-DLBZAZTESA-N 2 1 368.522 0.944 20 0 FCADMP COc1cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000900480581 1217996117 /nfs/dbraw/zinc/99/61/17/1217996117.db2.gz IIMZGYWCENJENS-KXBFYZLASA-N 2 1 365.474 0.707 20 0 FCADMP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900670748 1218022156 /nfs/dbraw/zinc/02/21/56/1218022156.db2.gz VWJINBDTSBBWFJ-QGZVFWFLSA-N 3 1 362.522 0.685 20 0 FCADMP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900670748 1218022160 /nfs/dbraw/zinc/02/21/60/1218022160.db2.gz VWJINBDTSBBWFJ-QGZVFWFLSA-N 3 1 362.522 0.685 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418607 1218034454 /nfs/dbraw/zinc/03/44/54/1218034454.db2.gz TYPAEEFTDYQKFQ-ZHALLVOQSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418607 1218034458 /nfs/dbraw/zinc/03/44/58/1218034458.db2.gz TYPAEEFTDYQKFQ-ZHALLVOQSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418607 1218034462 /nfs/dbraw/zinc/03/44/62/1218034462.db2.gz TYPAEEFTDYQKFQ-ZHALLVOQSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418607 1218034467 /nfs/dbraw/zinc/03/44/67/1218034467.db2.gz TYPAEEFTDYQKFQ-ZHALLVOQSA-N 2 1 363.506 0.800 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000900867287 1218046963 /nfs/dbraw/zinc/04/69/63/1218046963.db2.gz SCYZOJALQZOIKB-SJORKVTESA-N 2 1 367.490 0.585 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057704 1218089763 /nfs/dbraw/zinc/08/97/63/1218089763.db2.gz WTIAZYTTXPDIBP-LSDHHAIUSA-N 2 1 370.413 0.185 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057704 1218089766 /nfs/dbraw/zinc/08/97/66/1218089766.db2.gz WTIAZYTTXPDIBP-LSDHHAIUSA-N 2 1 370.413 0.185 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057703 1218089826 /nfs/dbraw/zinc/08/98/26/1218089826.db2.gz WTIAZYTTXPDIBP-HUUCEWRRSA-N 2 1 370.413 0.185 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057703 1218089828 /nfs/dbraw/zinc/08/98/28/1218089828.db2.gz WTIAZYTTXPDIBP-HUUCEWRRSA-N 2 1 370.413 0.185 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)cn1 ZINC001096140428 1218090387 /nfs/dbraw/zinc/09/03/87/1218090387.db2.gz XWPJLUVIQINRRQ-SQNIBIBYSA-N 2 1 371.489 0.714 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)cn1 ZINC001096140428 1218090390 /nfs/dbraw/zinc/09/03/90/1218090390.db2.gz XWPJLUVIQINRRQ-SQNIBIBYSA-N 2 1 371.489 0.714 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139868 1218090926 /nfs/dbraw/zinc/09/09/26/1218090926.db2.gz KYXHIBYTHSTSSQ-QXSJWSMHSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139868 1218090929 /nfs/dbraw/zinc/09/09/29/1218090929.db2.gz KYXHIBYTHSTSSQ-QXSJWSMHSA-N 2 1 362.478 0.044 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)cc1 ZINC001096175645 1218126977 /nfs/dbraw/zinc/12/69/77/1218126977.db2.gz MGJPYTBOOLWJMZ-VSZNYVQBSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)cc1 ZINC001096175645 1218126982 /nfs/dbraw/zinc/12/69/82/1218126982.db2.gz MGJPYTBOOLWJMZ-VSZNYVQBSA-N 2 1 356.470 0.972 20 0 FCADMP CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384290 1218136187 /nfs/dbraw/zinc/13/61/87/1218136187.db2.gz RMZXTISDWJPPDY-XWSJACJDSA-N 2 1 367.534 0.893 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001047384661 1218137113 /nfs/dbraw/zinc/13/71/13/1218137113.db2.gz FTHBRIMJXCBKHG-YSHGAJCASA-N 2 1 361.486 0.909 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001047384661 1218137115 /nfs/dbraw/zinc/13/71/15/1218137115.db2.gz FTHBRIMJXCBKHG-YSHGAJCASA-N 2 1 361.486 0.909 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001047384661 1218137118 /nfs/dbraw/zinc/13/71/18/1218137118.db2.gz FTHBRIMJXCBKHG-YSHGAJCASA-N 2 1 361.486 0.909 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048827922 1218323299 /nfs/dbraw/zinc/32/32/99/1218323299.db2.gz NLCPCFHSFMXJBO-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048827922 1218323305 /nfs/dbraw/zinc/32/33/05/1218323305.db2.gz NLCPCFHSFMXJBO-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048827922 1218323310 /nfs/dbraw/zinc/32/33/10/1218323310.db2.gz NLCPCFHSFMXJBO-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891923 1218335535 /nfs/dbraw/zinc/33/55/35/1218335535.db2.gz WJOFQFDOUADDGY-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891923 1218335544 /nfs/dbraw/zinc/33/55/44/1218335544.db2.gz WJOFQFDOUADDGY-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891923 1218335551 /nfs/dbraw/zinc/33/55/51/1218335551.db2.gz WJOFQFDOUADDGY-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891923 1218335557 /nfs/dbraw/zinc/33/55/57/1218335557.db2.gz WJOFQFDOUADDGY-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001225525287 1225815232 /nfs/dbraw/zinc/81/52/32/1225815232.db2.gz OSRGZUVTPUJQJP-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001225525287 1225815235 /nfs/dbraw/zinc/81/52/35/1225815235.db2.gz OSRGZUVTPUJQJP-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@]2(CCCN(Cc3cnnn3C)C2)C1=O ZINC001277072117 1225823212 /nfs/dbraw/zinc/82/32/12/1225823212.db2.gz LGAFZTOKHXNPJJ-KRWDZBQOSA-N 2 1 357.418 0.090 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001049542782 1218481311 /nfs/dbraw/zinc/48/13/11/1218481311.db2.gz PJYGUZWTYASXEA-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001049542782 1218481316 /nfs/dbraw/zinc/48/13/16/1218481316.db2.gz PJYGUZWTYASXEA-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001049542782 1218481321 /nfs/dbraw/zinc/48/13/21/1218481321.db2.gz PJYGUZWTYASXEA-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757140 1218517323 /nfs/dbraw/zinc/51/73/23/1218517323.db2.gz YIZCXVRKFSQMJG-VKJFTORMSA-N 2 1 357.462 0.403 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745874 1218544837 /nfs/dbraw/zinc/54/48/37/1218544837.db2.gz HRKWTWNGEKEOPR-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745874 1218544846 /nfs/dbraw/zinc/54/48/46/1218544846.db2.gz HRKWTWNGEKEOPR-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745874 1218544855 /nfs/dbraw/zinc/54/48/55/1218544855.db2.gz HRKWTWNGEKEOPR-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001049745874 1218544865 /nfs/dbraw/zinc/54/48/65/1218544865.db2.gz HRKWTWNGEKEOPR-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226160035 1225834961 /nfs/dbraw/zinc/83/49/61/1225834961.db2.gz DJPSFWMIVJOGCH-KFWWJZLASA-N 2 1 367.494 0.332 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001097079661 1218683326 /nfs/dbraw/zinc/68/33/26/1218683326.db2.gz MOCPZYKGGJKALS-XDNAFOTISA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001097100661 1218689269 /nfs/dbraw/zinc/68/92/69/1218689269.db2.gz UVGLBSFBOJAJNM-FGTAOJJYSA-N 2 1 358.486 0.947 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)CC[NH+]1C ZINC001097100661 1218689272 /nfs/dbraw/zinc/68/92/72/1218689272.db2.gz UVGLBSFBOJAJNM-FGTAOJJYSA-N 2 1 358.486 0.947 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)CC[NH+]1C ZINC001097100661 1218689273 /nfs/dbraw/zinc/68/92/73/1218689273.db2.gz UVGLBSFBOJAJNM-FGTAOJJYSA-N 2 1 358.486 0.947 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001097552096 1218817486 /nfs/dbraw/zinc/81/74/86/1218817486.db2.gz ATGIUEVPNJNRFQ-ZACQAIPSSA-N 2 1 355.442 0.812 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001097552096 1218817487 /nfs/dbraw/zinc/81/74/87/1218817487.db2.gz ATGIUEVPNJNRFQ-ZACQAIPSSA-N 2 1 355.442 0.812 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564682 1218820072 /nfs/dbraw/zinc/82/00/72/1218820072.db2.gz NODMQGQRUTYXDP-WIUNHAFRSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564682 1218820073 /nfs/dbraw/zinc/82/00/73/1218820073.db2.gz NODMQGQRUTYXDP-WIUNHAFRSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564682 1218820076 /nfs/dbraw/zinc/82/00/76/1218820076.db2.gz NODMQGQRUTYXDP-WIUNHAFRSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001097564682 1218820078 /nfs/dbraw/zinc/82/00/78/1218820078.db2.gz NODMQGQRUTYXDP-WIUNHAFRSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1=O ZINC001097774711 1218845028 /nfs/dbraw/zinc/84/50/28/1218845028.db2.gz FJQNLBYFACBFOH-KURKYZTESA-N 2 1 358.486 0.949 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145874 1225851623 /nfs/dbraw/zinc/85/16/23/1225851623.db2.gz DEWHUCNNECBGTN-KRWDZBQOSA-N 2 1 358.402 0.388 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCCN2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145874 1225851624 /nfs/dbraw/zinc/85/16/24/1225851624.db2.gz DEWHUCNNECBGTN-KRWDZBQOSA-N 2 1 358.402 0.388 20 0 FCADMP NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001052992868 1218870526 /nfs/dbraw/zinc/87/05/26/1218870526.db2.gz RVCRHZWMSULZSV-XDNAFOTISA-N 2 1 360.502 0.657 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457768 1218897781 /nfs/dbraw/zinc/89/77/81/1218897781.db2.gz NYKZTQQCZBNFLJ-TUVASFSCSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457768 1218897783 /nfs/dbraw/zinc/89/77/83/1218897783.db2.gz NYKZTQQCZBNFLJ-TUVASFSCSA-N 2 1 365.478 0.167 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001226766183 1225854300 /nfs/dbraw/zinc/85/43/00/1225854300.db2.gz IVSDXXSAMQCOOJ-RRFJBIMHSA-N 2 1 367.494 0.176 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001227150540 1225864908 /nfs/dbraw/zinc/86/49/08/1225864908.db2.gz UBGFULACVHECBJ-IAGOWNOFSA-N 2 1 370.538 0.886 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001055510374 1219062491 /nfs/dbraw/zinc/06/24/91/1219062491.db2.gz INEGXVLFFTUWBS-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CCO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055529123 1219069004 /nfs/dbraw/zinc/06/90/04/1219069004.db2.gz NESQFMJVBPUXHH-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP COC[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055544435 1219075024 /nfs/dbraw/zinc/07/50/24/1219075024.db2.gz UZJNAWZNTGEAJK-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC001055578204 1219085591 /nfs/dbraw/zinc/08/55/91/1219085591.db2.gz HVTDCPNSTBFOCQ-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)/C=C\C3CC3)CC2)CC[N@H+]1C ZINC001055583679 1219088049 /nfs/dbraw/zinc/08/80/49/1219088049.db2.gz XZPOYSLKXNEDSG-CPHMMYSSSA-N 2 1 362.518 0.990 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CC34CC4)CC2)CC[N@H+]1C ZINC001055583459 1219088420 /nfs/dbraw/zinc/08/84/20/1219088420.db2.gz ONRGLMDOFAJEPF-OIISXLGYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cnco3)CC2)CC[N@@H+]1C ZINC001055603633 1219096597 /nfs/dbraw/zinc/09/65/97/1219096597.db2.gz HSVXSANLWLMCNY-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cnco3)CC2)CC[N@H+]1C ZINC001055603633 1219096603 /nfs/dbraw/zinc/09/66/03/1219096603.db2.gz HSVXSANLWLMCNY-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000804053043 1219105939 /nfs/dbraw/zinc/10/59/39/1219105939.db2.gz IDFISEXNXPTOOC-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059902 1219113100 /nfs/dbraw/zinc/11/31/00/1219113100.db2.gz ONKOTVHTCMTIMF-WCXIOVBPSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804059714 1219114491 /nfs/dbraw/zinc/11/44/91/1219114491.db2.gz JYZBCFNQMOUFFB-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000804062208 1219118106 /nfs/dbraw/zinc/11/81/06/1219118106.db2.gz DDXHBZTUVKRVLO-DLBZAZTESA-N 2 1 368.522 0.591 20 0 FCADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001227345899 1225871030 /nfs/dbraw/zinc/87/10/30/1225871030.db2.gz PGGGSVRSISVWAC-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158346 1219244897 /nfs/dbraw/zinc/24/48/97/1219244897.db2.gz GRGXXAJYBPBBDS-QYZOEREBSA-N 2 1 368.485 0.957 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227614238 1225880237 /nfs/dbraw/zinc/88/02/37/1225880237.db2.gz UOESOVFFGBYVCS-ZRUZRRJWSA-N 2 1 364.490 0.003 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070209216 1219294658 /nfs/dbraw/zinc/29/46/58/1219294658.db2.gz RUHCKTFREZKESC-OAGGEKHMSA-N 2 1 355.446 0.804 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)CC2 ZINC001070260416 1219330410 /nfs/dbraw/zinc/33/04/10/1219330410.db2.gz IEMHLCDPBLSINW-JQHSSLGASA-N 2 1 369.473 0.797 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070295228 1219355128 /nfs/dbraw/zinc/35/51/28/1219355128.db2.gz SRDBJEVZJGYPIP-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070327056 1219377253 /nfs/dbraw/zinc/37/72/53/1219377253.db2.gz PUHNBJMTHDINOB-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327172 1219377668 /nfs/dbraw/zinc/37/76/68/1219377668.db2.gz VYLGDWOYTCONLM-KSZLIROESA-N 2 1 369.473 0.475 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331278 1219381643 /nfs/dbraw/zinc/38/16/43/1219381643.db2.gz NEQGIKNAMIEYJR-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331278 1219381647 /nfs/dbraw/zinc/38/16/47/1219381647.db2.gz NEQGIKNAMIEYJR-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070629712 1219494700 /nfs/dbraw/zinc/49/47/00/1219494700.db2.gz SHSJZKBEXKUDOG-KURKYZTESA-N 2 1 368.485 0.994 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168385 1225898182 /nfs/dbraw/zinc/89/81/82/1225898182.db2.gz ZZXWJFZMFCRGKF-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228168385 1225898186 /nfs/dbraw/zinc/89/81/86/1225898186.db2.gz ZZXWJFZMFCRGKF-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001070921069 1219577526 /nfs/dbraw/zinc/57/75/26/1219577526.db2.gz MRHFXORKLFPXCH-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001070921069 1219577529 /nfs/dbraw/zinc/57/75/29/1219577529.db2.gz MRHFXORKLFPXCH-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001070921483 1219578139 /nfs/dbraw/zinc/57/81/39/1219578139.db2.gz ZWZFMCZVUIJUQA-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001070921483 1219578142 /nfs/dbraw/zinc/57/81/42/1219578142.db2.gz ZWZFMCZVUIJUQA-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070924908 1219582332 /nfs/dbraw/zinc/58/23/32/1219582332.db2.gz XWIPBVCZCJACQG-ZACQAIPSSA-N 2 1 362.474 0.598 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071061265 1219597475 /nfs/dbraw/zinc/59/74/75/1219597475.db2.gz VPWZGXJBTCCMAK-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001071094732 1219605000 /nfs/dbraw/zinc/60/50/00/1219605000.db2.gz UKOVKVSNPUBAMZ-SUMDDJOVSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccn(C)c(=O)c2)C3)CC[N@H+]1C ZINC001072752054 1219621515 /nfs/dbraw/zinc/62/15/15/1219621515.db2.gz RYGBRPCWEMEIPQ-NVXWUHKLSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccn(C)c(=O)c2)C3)CC[NH+]1C ZINC001072752054 1219621516 /nfs/dbraw/zinc/62/15/16/1219621516.db2.gz RYGBRPCWEMEIPQ-NVXWUHKLSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccn(C)c(=O)c2)C3)CC[NH+]1C ZINC001072752054 1219621517 /nfs/dbraw/zinc/62/15/17/1219621517.db2.gz RYGBRPCWEMEIPQ-NVXWUHKLSA-N 2 1 358.486 0.760 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000726876289 1219658498 /nfs/dbraw/zinc/65/84/98/1219658498.db2.gz MCSKAWIAQNVVRO-UHFFFAOYSA-N 2 1 373.501 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccnn3C)CCCO2)CC[N@@H+]1C ZINC001073605072 1219671313 /nfs/dbraw/zinc/67/13/13/1219671313.db2.gz ACINTAAPSHZXNS-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccnn3C)CCCO2)CC[N@H+]1C ZINC001073605072 1219671317 /nfs/dbraw/zinc/67/13/17/1219671317.db2.gz ACINTAAPSHZXNS-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073605072 1219671318 /nfs/dbraw/zinc/67/13/18/1219671318.db2.gz ACINTAAPSHZXNS-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)CCCO2)CC[NH+]1C ZINC001073605072 1219671322 /nfs/dbraw/zinc/67/13/22/1219671322.db2.gz ACINTAAPSHZXNS-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cccn3)CCCO2)CC[N@H+]1C ZINC001073605841 1219671708 /nfs/dbraw/zinc/67/17/08/1219671708.db2.gz WKPBWTWFDMOKSO-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCn3cccn3)CCCO2)CC[NH+]1C ZINC001073605841 1219671712 /nfs/dbraw/zinc/67/17/12/1219671712.db2.gz WKPBWTWFDMOKSO-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)CCCO2)CC[NH+]1C ZINC001073605841 1219671715 /nfs/dbraw/zinc/67/17/15/1219671715.db2.gz WKPBWTWFDMOKSO-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)CCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001074696944 1219717124 /nfs/dbraw/zinc/71/71/24/1219717124.db2.gz OHVJPAZPGAXOMQ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C2CC2)C3)CC[N@H+]1C ZINC001098844496 1219839475 /nfs/dbraw/zinc/83/94/75/1219839475.db2.gz DERIJLHVGUTJGC-MJEZEWASSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C2CC2)C3)CC[NH+]1C ZINC001098844496 1219839479 /nfs/dbraw/zinc/83/94/79/1219839479.db2.gz DERIJLHVGUTJGC-MJEZEWASSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C2CC2)C3)CC[NH+]1C ZINC001098844496 1219839481 /nfs/dbraw/zinc/83/94/81/1219839481.db2.gz DERIJLHVGUTJGC-MJEZEWASSA-N 2 1 362.518 0.918 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)c1ccn2c[nH+]cc2c1 ZINC001098923716 1219865890 /nfs/dbraw/zinc/86/58/90/1219865890.db2.gz AYLMDXRSJPOPNZ-GMBSWORKSA-N 2 1 353.426 0.807 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099009487 1219887546 /nfs/dbraw/zinc/88/75/46/1219887546.db2.gz BIFNEGINKMWNIQ-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099111952 1219916206 /nfs/dbraw/zinc/91/62/06/1219916206.db2.gz XBJSLGBGMWXQOT-PXNSSMCTSA-N 2 1 362.518 0.825 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099111952 1219916208 /nfs/dbraw/zinc/91/62/08/1219916208.db2.gz XBJSLGBGMWXQOT-PXNSSMCTSA-N 2 1 362.518 0.825 20 0 FCADMP Cn1cncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001099403993 1219983392 /nfs/dbraw/zinc/98/33/92/1219983392.db2.gz UQVWXCWHZJBBIH-IEZWGBDMSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1cncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001099403993 1219983398 /nfs/dbraw/zinc/98/33/98/1219983398.db2.gz UQVWXCWHZJBBIH-IEZWGBDMSA-N 2 1 361.490 0.469 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001099436908 1219995867 /nfs/dbraw/zinc/99/58/67/1219995867.db2.gz DFAXUVBGMAMNGS-OLMMMNRUSA-N 2 1 360.506 0.874 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099464863 1220006151 /nfs/dbraw/zinc/00/61/51/1220006151.db2.gz UDKRPICLLBMTJY-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)n1 ZINC001099488838 1220012933 /nfs/dbraw/zinc/01/29/33/1220012933.db2.gz STBNTUQCBPHDGX-YJBOKZPZSA-N 2 1 361.494 0.270 20 0 FCADMP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001099526657 1220023817 /nfs/dbraw/zinc/02/38/17/1220023817.db2.gz QBVXJUUGMXGKAH-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001099535646 1220026332 /nfs/dbraw/zinc/02/63/32/1220026332.db2.gz QRGMWDSSGPHGLS-FCEWJHQRSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(C)nn2)C1 ZINC001099534921 1220026710 /nfs/dbraw/zinc/02/67/10/1220026710.db2.gz FKLKWBIBCSRICF-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779048 1220148419 /nfs/dbraw/zinc/14/84/19/1220148419.db2.gz HRQIQUHLPKTJSW-ZWKOTPCHSA-N 2 1 373.501 0.959 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171966 1220208017 /nfs/dbraw/zinc/20/80/17/1220208017.db2.gz RDNSZJITAOMRDM-LMMKCTJWSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171966 1220208019 /nfs/dbraw/zinc/20/80/19/1220208019.db2.gz RDNSZJITAOMRDM-LMMKCTJWSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186829 1220216954 /nfs/dbraw/zinc/21/69/54/1220216954.db2.gz GYXBPKYAOIMMCX-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186829 1220216956 /nfs/dbraw/zinc/21/69/56/1220216956.db2.gz GYXBPKYAOIMMCX-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186829 1220216957 /nfs/dbraw/zinc/21/69/57/1220216957.db2.gz GYXBPKYAOIMMCX-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186829 1220216959 /nfs/dbraw/zinc/21/69/59/1220216959.db2.gz GYXBPKYAOIMMCX-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290422 1220270904 /nfs/dbraw/zinc/27/09/04/1220270904.db2.gz PYBRHORODCSTOA-APWZRJJASA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CC1 ZINC001101341276 1220294742 /nfs/dbraw/zinc/29/47/42/1220294742.db2.gz GEKFKSWTSJRSMS-APWZRJJASA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342821 1220295415 /nfs/dbraw/zinc/29/54/15/1220295415.db2.gz NZXJRYAMSWQROI-RKVPGOIHSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342821 1220295420 /nfs/dbraw/zinc/29/54/20/1220295420.db2.gz NZXJRYAMSWQROI-RKVPGOIHSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363645 1220302273 /nfs/dbraw/zinc/30/22/73/1220302273.db2.gz ZFULMDVTAWPRIN-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363645 1220302278 /nfs/dbraw/zinc/30/22/78/1220302278.db2.gz ZFULMDVTAWPRIN-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101363645 1220302280 /nfs/dbraw/zinc/30/22/80/1220302280.db2.gz ZFULMDVTAWPRIN-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369690 1220305566 /nfs/dbraw/zinc/30/55/66/1220305566.db2.gz HXWAZNMGBPQREH-MDZRGWNJSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001101389271 1220316285 /nfs/dbraw/zinc/31/62/85/1220316285.db2.gz NBULTIKOLZRGRB-MJGOQNOKSA-N 2 1 363.506 0.875 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101393817 1220319520 /nfs/dbraw/zinc/31/95/20/1220319520.db2.gz HISKZJUNZUFZLD-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101393817 1220319525 /nfs/dbraw/zinc/31/95/25/1220319525.db2.gz HISKZJUNZUFZLD-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101431209 1220339646 /nfs/dbraw/zinc/33/96/46/1220339646.db2.gz DQMINDMOQDGJPU-BEFAXECRSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431458 1220341210 /nfs/dbraw/zinc/34/12/10/1220341210.db2.gz OUUMICZMBUJNIQ-APWZRJJASA-N 2 1 362.518 0.635 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101438878 1220346034 /nfs/dbraw/zinc/34/60/34/1220346034.db2.gz ZRFPZYAFRZPPHS-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101438878 1220346038 /nfs/dbraw/zinc/34/60/38/1220346038.db2.gz ZRFPZYAFRZPPHS-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101438878 1220346041 /nfs/dbraw/zinc/34/60/41/1220346041.db2.gz ZRFPZYAFRZPPHS-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469618 1220363638 /nfs/dbraw/zinc/36/36/38/1220363638.db2.gz ZTAFHQBLRJAJGQ-LMMKCTJWSA-N 2 1 369.506 0.150 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469618 1220363643 /nfs/dbraw/zinc/36/36/43/1220363643.db2.gz ZTAFHQBLRJAJGQ-LMMKCTJWSA-N 2 1 369.506 0.150 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469618 1220363648 /nfs/dbraw/zinc/36/36/48/1220363648.db2.gz ZTAFHQBLRJAJGQ-LMMKCTJWSA-N 2 1 369.506 0.150 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469618 1220363651 /nfs/dbraw/zinc/36/36/51/1220363651.db2.gz ZTAFHQBLRJAJGQ-LMMKCTJWSA-N 2 1 369.506 0.150 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478652 1220367787 /nfs/dbraw/zinc/36/77/87/1220367787.db2.gz YTGIDVMLRYKUKI-AOIWGVFYSA-N 2 1 371.522 0.131 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478652 1220367791 /nfs/dbraw/zinc/36/77/91/1220367791.db2.gz YTGIDVMLRYKUKI-AOIWGVFYSA-N 2 1 371.522 0.131 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478652 1220367796 /nfs/dbraw/zinc/36/77/96/1220367796.db2.gz YTGIDVMLRYKUKI-AOIWGVFYSA-N 2 1 371.522 0.131 20 0 FCADMP C[C@H]([NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001101550358 1220378339 /nfs/dbraw/zinc/37/83/39/1220378339.db2.gz FBVRSKDDXJAVNN-IJEWVQPXSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@H]([NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001101550358 1220378344 /nfs/dbraw/zinc/37/83/44/1220378344.db2.gz FBVRSKDDXJAVNN-IJEWVQPXSA-N 2 1 368.522 0.434 20 0 FCADMP CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12 ZINC001101627562 1220379004 /nfs/dbraw/zinc/37/90/04/1220379004.db2.gz HTDPKJVWULREHW-BZUAXINKSA-N 2 1 361.490 0.832 20 0 FCADMP CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccn12 ZINC001101627562 1220379007 /nfs/dbraw/zinc/37/90/07/1220379007.db2.gz HTDPKJVWULREHW-BZUAXINKSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982696 1220451608 /nfs/dbraw/zinc/45/16/08/1220451608.db2.gz DPPKVPKEBPEOGB-JOCBIADPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982696 1220451615 /nfs/dbraw/zinc/45/16/15/1220451615.db2.gz DPPKVPKEBPEOGB-JOCBIADPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982696 1220451617 /nfs/dbraw/zinc/45/16/17/1220451617.db2.gz DPPKVPKEBPEOGB-JOCBIADPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981869 1220451719 /nfs/dbraw/zinc/45/17/19/1220451719.db2.gz WVVGEJIEKOWIJW-IXDOHACOSA-N 2 1 365.522 0.903 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048900 1220477434 /nfs/dbraw/zinc/47/74/34/1220477434.db2.gz TZSGZOPPOAFEIZ-DDUZABMNSA-N 2 1 364.490 0.160 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102086216 1220491064 /nfs/dbraw/zinc/49/10/64/1220491064.db2.gz UJJZZGWSELOCHW-HZPDHXFCSA-N 2 1 368.522 0.117 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108653 1220499671 /nfs/dbraw/zinc/49/96/71/1220499671.db2.gz WERGGHOMDAIZHV-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108653 1220499675 /nfs/dbraw/zinc/49/96/75/1220499675.db2.gz WERGGHOMDAIZHV-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)nn1C ZINC001277350915 1225974074 /nfs/dbraw/zinc/97/40/74/1225974074.db2.gz BUQJCMXFUKTZDK-GOSISDBHSA-N 2 1 363.462 0.193 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)nn1C ZINC001277350915 1225974091 /nfs/dbraw/zinc/97/40/91/1225974091.db2.gz BUQJCMXFUKTZDK-GOSISDBHSA-N 2 1 363.462 0.193 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295421 1220576933 /nfs/dbraw/zinc/57/69/33/1220576933.db2.gz JEBXKCLOJYCCGF-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320665 1220582079 /nfs/dbraw/zinc/58/20/79/1220582079.db2.gz NINXWICQTSMEKK-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319019 1220582423 /nfs/dbraw/zinc/58/24/23/1220582423.db2.gz VKYZYNKNZLXYTO-QLFBSQMISA-N 2 1 362.478 0.439 20 0 FCADMP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319019 1220582428 /nfs/dbraw/zinc/58/24/28/1220582428.db2.gz VKYZYNKNZLXYTO-QLFBSQMISA-N 2 1 362.478 0.439 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102369856 1220596116 /nfs/dbraw/zinc/59/61/16/1220596116.db2.gz ITNPRNGHTHGJDC-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102369856 1220596122 /nfs/dbraw/zinc/59/61/22/1220596122.db2.gz ITNPRNGHTHGJDC-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375311 1220597740 /nfs/dbraw/zinc/59/77/40/1220597740.db2.gz BURSWFITENUTDZ-RBSFLKMASA-N 2 1 366.506 0.454 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375311 1220597746 /nfs/dbraw/zinc/59/77/46/1220597746.db2.gz BURSWFITENUTDZ-RBSFLKMASA-N 2 1 366.506 0.454 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375311 1220597749 /nfs/dbraw/zinc/59/77/49/1220597749.db2.gz BURSWFITENUTDZ-RBSFLKMASA-N 2 1 366.506 0.454 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375717 1220599990 /nfs/dbraw/zinc/59/99/90/1220599990.db2.gz YEOLNOUQOUCYFC-ZIAGYGMSSA-N 2 1 369.510 0.104 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375717 1220599998 /nfs/dbraw/zinc/59/99/98/1220599998.db2.gz YEOLNOUQOUCYFC-ZIAGYGMSSA-N 2 1 369.510 0.104 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375717 1220600016 /nfs/dbraw/zinc/60/00/16/1220600016.db2.gz YEOLNOUQOUCYFC-ZIAGYGMSSA-N 2 1 369.510 0.104 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102378318 1220600410 /nfs/dbraw/zinc/60/04/10/1220600410.db2.gz SQAMYBBOMBDNMH-KFWWJZLASA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430148 1220622343 /nfs/dbraw/zinc/62/23/43/1220622343.db2.gz GNXFVTHFGNBVQV-QLFBSQMISA-N 2 1 367.494 0.130 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454805 1220630672 /nfs/dbraw/zinc/63/06/72/1220630672.db2.gz SPSNKZXPPPOFAJ-IXDOHACOSA-N 2 1 365.522 0.903 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464332 1220635689 /nfs/dbraw/zinc/63/56/89/1220635689.db2.gz RTLUPCZXPGBGDC-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464332 1220635692 /nfs/dbraw/zinc/63/56/92/1220635692.db2.gz RTLUPCZXPGBGDC-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468525 1220638551 /nfs/dbraw/zinc/63/85/51/1220638551.db2.gz MXJKDQQAJSZABO-BRWVUGGUSA-N 2 1 361.490 0.944 20 0 FCADMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468525 1220638554 /nfs/dbraw/zinc/63/85/54/1220638554.db2.gz MXJKDQQAJSZABO-BRWVUGGUSA-N 2 1 361.490 0.944 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468886 1220639374 /nfs/dbraw/zinc/63/93/74/1220639374.db2.gz DZIMVSXBPNOVQD-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468886 1220639375 /nfs/dbraw/zinc/63/93/75/1220639375.db2.gz DZIMVSXBPNOVQD-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480035 1220647518 /nfs/dbraw/zinc/64/75/18/1220647518.db2.gz UFTFWNBMRGOZIG-OAGGEKHMSA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489263 1220652362 /nfs/dbraw/zinc/65/23/62/1220652362.db2.gz ZZVPOEGITYIZJN-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489263 1220652363 /nfs/dbraw/zinc/65/23/63/1220652363.db2.gz ZZVPOEGITYIZJN-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495711 1220656787 /nfs/dbraw/zinc/65/67/87/1220656787.db2.gz ITVVSEYONHYFPY-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495711 1220656789 /nfs/dbraw/zinc/65/67/89/1220656789.db2.gz ITVVSEYONHYFPY-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495711 1220656792 /nfs/dbraw/zinc/65/67/92/1220656792.db2.gz ITVVSEYONHYFPY-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497180 1220658130 /nfs/dbraw/zinc/65/81/30/1220658130.db2.gz FALHLNLAVFLUHQ-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497180 1220658134 /nfs/dbraw/zinc/65/81/34/1220658134.db2.gz FALHLNLAVFLUHQ-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497180 1220658136 /nfs/dbraw/zinc/65/81/36/1220658136.db2.gz FALHLNLAVFLUHQ-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511223 1220669862 /nfs/dbraw/zinc/66/98/62/1220669862.db2.gz NUVSEOHXEQLANN-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511068 1220669881 /nfs/dbraw/zinc/66/98/81/1220669881.db2.gz HXRHQQGQKHHDPY-HUUCEWRRSA-N 2 1 365.478 0.248 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102514363 1220673077 /nfs/dbraw/zinc/67/30/77/1220673077.db2.gz UXMCVMZBBCOIKU-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514148 1220673599 /nfs/dbraw/zinc/67/35/99/1220673599.db2.gz OJJKNCYAMXNDOI-IXDOHACOSA-N 2 1 370.538 0.506 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514731 1220673662 /nfs/dbraw/zinc/67/36/62/1220673662.db2.gz LCQSJGZEGVALFX-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514731 1220673665 /nfs/dbraw/zinc/67/36/65/1220673665.db2.gz LCQSJGZEGVALFX-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514731 1220673668 /nfs/dbraw/zinc/67/36/68/1220673668.db2.gz LCQSJGZEGVALFX-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514731 1220673669 /nfs/dbraw/zinc/67/36/69/1220673669.db2.gz LCQSJGZEGVALFX-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514033 1220673948 /nfs/dbraw/zinc/67/39/48/1220673948.db2.gz KAMMLLURWRVDFQ-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514033 1220673951 /nfs/dbraw/zinc/67/39/51/1220673951.db2.gz KAMMLLURWRVDFQ-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514033 1220673955 /nfs/dbraw/zinc/67/39/55/1220673955.db2.gz KAMMLLURWRVDFQ-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102523798 1220679428 /nfs/dbraw/zinc/67/94/28/1220679428.db2.gz JKTCRBLEWBBPIR-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102523798 1220679431 /nfs/dbraw/zinc/67/94/31/1220679431.db2.gz JKTCRBLEWBBPIR-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102523798 1220679434 /nfs/dbraw/zinc/67/94/34/1220679434.db2.gz JKTCRBLEWBBPIR-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102524639 1220680282 /nfs/dbraw/zinc/68/02/82/1220680282.db2.gz PBYQYVIKBZQDFA-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102524639 1220680286 /nfs/dbraw/zinc/68/02/86/1220680286.db2.gz PBYQYVIKBZQDFA-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102524639 1220680292 /nfs/dbraw/zinc/68/02/92/1220680292.db2.gz PBYQYVIKBZQDFA-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102524639 1220680295 /nfs/dbraw/zinc/68/02/95/1220680295.db2.gz PBYQYVIKBZQDFA-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524356 1220680690 /nfs/dbraw/zinc/68/06/90/1220680690.db2.gz BIDASIRWXUKPAM-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524356 1220680688 /nfs/dbraw/zinc/68/06/88/1220680688.db2.gz BIDASIRWXUKPAM-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524356 1220680691 /nfs/dbraw/zinc/68/06/91/1220680691.db2.gz BIDASIRWXUKPAM-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783121 1220782735 /nfs/dbraw/zinc/78/27/35/1220782735.db2.gz VYNKNXGGHASRHR-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783121 1220782743 /nfs/dbraw/zinc/78/27/43/1220782743.db2.gz VYNKNXGGHASRHR-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102783121 1220782748 /nfs/dbraw/zinc/78/27/48/1220782748.db2.gz VYNKNXGGHASRHR-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102783121 1220782757 /nfs/dbraw/zinc/78/27/57/1220782757.db2.gz VYNKNXGGHASRHR-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819410 1220791477 /nfs/dbraw/zinc/79/14/77/1220791477.db2.gz SQLBDKOONWRRCL-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819410 1220791486 /nfs/dbraw/zinc/79/14/86/1220791486.db2.gz SQLBDKOONWRRCL-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819410 1220791495 /nfs/dbraw/zinc/79/14/95/1220791495.db2.gz SQLBDKOONWRRCL-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819410 1220791502 /nfs/dbraw/zinc/79/15/02/1220791502.db2.gz SQLBDKOONWRRCL-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819405 1220792987 /nfs/dbraw/zinc/79/29/87/1220792987.db2.gz SLSKZYSVOYMJTP-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819405 1220792993 /nfs/dbraw/zinc/79/29/93/1220792993.db2.gz SLSKZYSVOYMJTP-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC001102819405 1220792996 /nfs/dbraw/zinc/79/29/96/1220792996.db2.gz SLSKZYSVOYMJTP-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001102819405 1220793001 /nfs/dbraw/zinc/79/30/01/1220793001.db2.gz SLSKZYSVOYMJTP-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993704 1220817277 /nfs/dbraw/zinc/81/72/77/1220817277.db2.gz FORQEBHTALVTTO-NXHRZFHOSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103087226 1220831174 /nfs/dbraw/zinc/83/11/74/1220831174.db2.gz CFYGGVXXGWTCDS-ZTFGCOKTSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103111814 1220835376 /nfs/dbraw/zinc/83/53/76/1220835376.db2.gz PNIQDLPECCVVGL-FMKPAKJESA-N 2 1 366.510 0.269 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185799 1220847810 /nfs/dbraw/zinc/84/78/10/1220847810.db2.gz QYFYFXKMYMFLIQ-HZPDHXFCSA-N 2 1 362.518 0.968 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103217365 1220852739 /nfs/dbraw/zinc/85/27/39/1220852739.db2.gz CVMSAJPGYCWUAM-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1occc1C[NH+](C)C ZINC001103373081 1220872528 /nfs/dbraw/zinc/87/25/28/1220872528.db2.gz BMMCDJSESMOEGH-IIAWOOMASA-N 2 1 362.474 0.918 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378598 1220873453 /nfs/dbraw/zinc/87/34/53/1220873453.db2.gz AAFSYHFUZSFCKB-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398514 1220876876 /nfs/dbraw/zinc/87/68/76/1220876876.db2.gz WHDRIGBYDKJETK-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497361 1220891004 /nfs/dbraw/zinc/89/10/04/1220891004.db2.gz AHDKSZKNOWCMOQ-GDBMZVCRSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497361 1220891008 /nfs/dbraw/zinc/89/10/08/1220891008.db2.gz AHDKSZKNOWCMOQ-GDBMZVCRSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535125 1220897104 /nfs/dbraw/zinc/89/71/04/1220897104.db2.gz CRSGVKXMZAQYKS-IXDOHACOSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535125 1220897105 /nfs/dbraw/zinc/89/71/05/1220897105.db2.gz CRSGVKXMZAQYKS-IXDOHACOSA-N 2 1 368.522 0.437 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103550356 1220899213 /nfs/dbraw/zinc/89/92/13/1220899213.db2.gz LWZLXIDSKHXLGG-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103550340 1220899911 /nfs/dbraw/zinc/89/99/11/1220899911.db2.gz LIGRKFCYBRNZJK-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103550340 1220899912 /nfs/dbraw/zinc/89/99/12/1220899912.db2.gz LIGRKFCYBRNZJK-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103643796 1220925886 /nfs/dbraw/zinc/92/58/86/1220925886.db2.gz QOTCHOWOLHNGLH-QLFBSQMISA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103643796 1220925891 /nfs/dbraw/zinc/92/58/91/1220925891.db2.gz QOTCHOWOLHNGLH-QLFBSQMISA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103643796 1220925893 /nfs/dbraw/zinc/92/58/93/1220925893.db2.gz QOTCHOWOLHNGLH-QLFBSQMISA-N 2 1 364.494 0.024 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648809 1220927431 /nfs/dbraw/zinc/92/74/31/1220927431.db2.gz KGNKFSHWRFZBAS-QLFBSQMISA-N 2 1 361.490 0.970 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655833 1220931464 /nfs/dbraw/zinc/93/14/64/1220931464.db2.gz DLUKSOCWINUHFU-RBSFLKMASA-N 2 1 369.510 0.376 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COC2CC[NH+](C)CC2)n1 ZINC001229354021 1226005470 /nfs/dbraw/zinc/00/54/70/1226005470.db2.gz DDNSEYPCJMGYFA-IAGOWNOFSA-N 2 1 364.494 0.443 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721544 1220952721 /nfs/dbraw/zinc/95/27/21/1220952721.db2.gz XEDCDGZGHCGYKO-KFWWJZLASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721544 1220952733 /nfs/dbraw/zinc/95/27/33/1220952733.db2.gz XEDCDGZGHCGYKO-KFWWJZLASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721544 1220952746 /nfs/dbraw/zinc/95/27/46/1220952746.db2.gz XEDCDGZGHCGYKO-KFWWJZLASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721544 1220952752 /nfs/dbraw/zinc/95/27/52/1220952752.db2.gz XEDCDGZGHCGYKO-KFWWJZLASA-N 2 1 363.462 0.639 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755342 1220966033 /nfs/dbraw/zinc/96/60/33/1220966033.db2.gz CVBHVEQOVFFHSQ-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755342 1220966036 /nfs/dbraw/zinc/96/60/36/1220966036.db2.gz CVBHVEQOVFFHSQ-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755342 1220966039 /nfs/dbraw/zinc/96/60/39/1220966039.db2.gz CVBHVEQOVFFHSQ-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000011 1220996833 /nfs/dbraw/zinc/99/68/33/1220996833.db2.gz SCYRCCLYDYMHGB-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999556 1220996998 /nfs/dbraw/zinc/99/69/98/1220996998.db2.gz CNEAOHQYOMWBJK-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104033927 1221001837 /nfs/dbraw/zinc/00/18/37/1221001837.db2.gz LRNDZFHPKFFQRW-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104033927 1221001841 /nfs/dbraw/zinc/00/18/41/1221001841.db2.gz LRNDZFHPKFFQRW-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)CC1 ZINC001111855814 1221138575 /nfs/dbraw/zinc/13/85/75/1221138575.db2.gz NFOQZCAOXMTIJY-JXFKEZNVSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)CC1 ZINC001111855814 1221138577 /nfs/dbraw/zinc/13/85/77/1221138577.db2.gz NFOQZCAOXMTIJY-JXFKEZNVSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC001111861279 1221140541 /nfs/dbraw/zinc/14/05/41/1221140541.db2.gz FJBNVJFYYDFVME-KXBFYZLASA-N 2 1 366.506 0.204 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916811 1221167100 /nfs/dbraw/zinc/16/71/00/1221167100.db2.gz GJRXCPMKJXMQCY-DOXZYTNZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCNC(C)=O)C2 ZINC001111927892 1221173818 /nfs/dbraw/zinc/17/38/18/1221173818.db2.gz UCLYHNNTUVDZJN-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCNC(C)=O)C2 ZINC001111927892 1221173821 /nfs/dbraw/zinc/17/38/21/1221173821.db2.gz UCLYHNNTUVDZJN-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCNC(C)=O)C2 ZINC001111927892 1221173822 /nfs/dbraw/zinc/17/38/22/1221173822.db2.gz UCLYHNNTUVDZJN-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111938235 1221178726 /nfs/dbraw/zinc/17/87/26/1221178726.db2.gz RVCIDHXRCUKZIB-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938091 1221178920 /nfs/dbraw/zinc/17/89/20/1221178920.db2.gz KQXQHFFSUYDKRE-JXFKEZNVSA-N 2 1 362.518 0.921 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938111 1221179022 /nfs/dbraw/zinc/17/90/22/1221179022.db2.gz LTSMUTOSRWRNKP-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC2CC2)C1 ZINC001112285334 1221230683 /nfs/dbraw/zinc/23/06/83/1221230683.db2.gz TWTXSEAWUNHGSI-QKLQHJQFSA-N 2 1 362.518 0.825 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291260 1221232607 /nfs/dbraw/zinc/23/26/07/1221232607.db2.gz CYTPYNXSFDSNPQ-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291260 1221232612 /nfs/dbraw/zinc/23/26/12/1221232612.db2.gz CYTPYNXSFDSNPQ-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001112360721 1221245593 /nfs/dbraw/zinc/24/55/93/1221245593.db2.gz GUUMQODYIBWOJZ-GNBUJSLZSA-N 2 1 367.534 0.944 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112424111 1221256495 /nfs/dbraw/zinc/25/64/95/1221256495.db2.gz QQFPXJKGIZQHLC-OLMMMNRUSA-N 2 1 366.506 0.060 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112424111 1221256499 /nfs/dbraw/zinc/25/64/99/1221256499.db2.gz QQFPXJKGIZQHLC-OLMMMNRUSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2)C(N)=O ZINC001112442069 1221260325 /nfs/dbraw/zinc/26/03/25/1221260325.db2.gz IIUUMBHQXBGSHD-LXIYXOSZSA-N 2 1 363.462 0.442 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)COC3CC[NH2+]CC3)c2)CC1 ZINC001118281574 1221750244 /nfs/dbraw/zinc/75/02/44/1221750244.db2.gz KPGLNKVOSZUXOG-UHFFFAOYSA-N 2 1 360.502 0.819 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001119298108 1221898178 /nfs/dbraw/zinc/89/81/78/1221898178.db2.gz XBYNBXSWEMRHFO-GFCCVEGCSA-N 2 1 372.420 0.544 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC001119351999 1221903524 /nfs/dbraw/zinc/90/35/24/1221903524.db2.gz FJLDWXHSHSDWJJ-HNNXBMFYSA-N 2 1 362.474 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC001119351999 1221903533 /nfs/dbraw/zinc/90/35/33/1221903533.db2.gz FJLDWXHSHSDWJJ-HNNXBMFYSA-N 2 1 362.474 0.583 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC001119412420 1221914085 /nfs/dbraw/zinc/91/40/85/1221914085.db2.gz GZDLAFCPVLPSNZ-LDKKBFSKSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC001119412420 1221914091 /nfs/dbraw/zinc/91/40/91/1221914091.db2.gz GZDLAFCPVLPSNZ-LDKKBFSKSA-N 2 1 368.522 0.624 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119424825 1221915775 /nfs/dbraw/zinc/91/57/75/1221915775.db2.gz LHAUXQYGUDJFNP-MSOLQXFVSA-N 2 1 369.554 0.798 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119423648 1221916174 /nfs/dbraw/zinc/91/61/74/1221916174.db2.gz BBTOILXRIYWXLV-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001119652884 1221945871 /nfs/dbraw/zinc/94/58/71/1221945871.db2.gz TZYRJOZFYFMILY-IRXDYDNUSA-N 2 1 363.510 0.706 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001119652884 1221945874 /nfs/dbraw/zinc/94/58/74/1221945874.db2.gz TZYRJOZFYFMILY-IRXDYDNUSA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCN1C ZINC001119809966 1221976316 /nfs/dbraw/zinc/97/63/16/1221976316.db2.gz IDRBLYMGTURSIX-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001119809966 1221976323 /nfs/dbraw/zinc/97/63/23/1221976323.db2.gz IDRBLYMGTURSIX-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001119809966 1221976334 /nfs/dbraw/zinc/97/63/34/1221976334.db2.gz IDRBLYMGTURSIX-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001119809966 1221976343 /nfs/dbraw/zinc/97/63/43/1221976343.db2.gz IDRBLYMGTURSIX-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001119809966 1221976352 /nfs/dbraw/zinc/97/63/52/1221976352.db2.gz IDRBLYMGTURSIX-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP CN1CC[C@@H](N2CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604624 1222108102 /nfs/dbraw/zinc/10/81/02/1222108102.db2.gz VZBTUIMUFDWBMY-WOJBJXKFSA-N 2 1 374.529 0.764 20 0 FCADMP CN1CC[C@@H](N2CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604624 1222108106 /nfs/dbraw/zinc/10/81/06/1222108106.db2.gz VZBTUIMUFDWBMY-WOJBJXKFSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001123637556 1222346471 /nfs/dbraw/zinc/34/64/71/1222346471.db2.gz VXKYFGAMDRFBSQ-FCGDIQPGSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001123637556 1222346475 /nfs/dbraw/zinc/34/64/75/1222346475.db2.gz VXKYFGAMDRFBSQ-FCGDIQPGSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001123637556 1222346477 /nfs/dbraw/zinc/34/64/77/1222346477.db2.gz VXKYFGAMDRFBSQ-FCGDIQPGSA-N 2 1 363.550 0.392 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cnc(N)nc2)CC3)CC1 ZINC001138164017 1222487351 /nfs/dbraw/zinc/48/73/51/1222487351.db2.gz HCVMDNLIBBMHPY-UHFFFAOYSA-N 2 1 354.462 0.201 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cnc(N)nc2)CC3)CC1 ZINC001138164017 1222487355 /nfs/dbraw/zinc/48/73/55/1222487355.db2.gz HCVMDNLIBBMHPY-UHFFFAOYSA-N 2 1 354.462 0.201 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH]1 ZINC001277572096 1226130486 /nfs/dbraw/zinc/13/04/86/1226130486.db2.gz JOVZXFHGWZAMNT-GOSISDBHSA-N 2 1 364.446 0.166 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH]1 ZINC001277572096 1226130490 /nfs/dbraw/zinc/13/04/90/1226130490.db2.gz JOVZXFHGWZAMNT-GOSISDBHSA-N 2 1 364.446 0.166 20 0 FCADMP COc1ccncc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001139610424 1222554153 /nfs/dbraw/zinc/55/41/53/1222554153.db2.gz GNJICXBUZMWGFW-CRAIPNDOSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ccncc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001139610424 1222554158 /nfs/dbraw/zinc/55/41/58/1222554158.db2.gz GNJICXBUZMWGFW-CRAIPNDOSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ccncc1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001139610424 1222554163 /nfs/dbraw/zinc/55/41/63/1222554163.db2.gz GNJICXBUZMWGFW-CRAIPNDOSA-N 2 1 362.474 0.701 20 0 FCADMP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000836317101 1222621688 /nfs/dbraw/zinc/62/16/88/1222621688.db2.gz CMZQXVPTTZVVJZ-GDBMZVCRSA-N 2 1 367.494 0.637 20 0 FCADMP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000836317101 1222621691 /nfs/dbraw/zinc/62/16/91/1222621691.db2.gz CMZQXVPTTZVVJZ-GDBMZVCRSA-N 2 1 367.494 0.637 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1C[NH+](C)C ZINC000839483693 1222741456 /nfs/dbraw/zinc/74/14/56/1222741456.db2.gz FIDQGPGAVRFBER-MSOLQXFVSA-N 2 1 374.485 0.975 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841184124 1222812246 /nfs/dbraw/zinc/81/22/46/1222812246.db2.gz FNGSYHUXHQLGGM-KRWDZBQOSA-N 2 1 361.490 0.867 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000841259948 1222816828 /nfs/dbraw/zinc/81/68/28/1222816828.db2.gz ZIBCABZOHOOLNT-UHFFFAOYSA-N 2 1 359.474 0.715 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191009 1222839879 /nfs/dbraw/zinc/83/98/79/1222839879.db2.gz VUDYNCJNFIEOIX-XLIONFOSSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000842478778 1222848027 /nfs/dbraw/zinc/84/80/27/1222848027.db2.gz PBXZVWMUUFHQSP-KGLIPLIRSA-N 2 1 365.478 0.579 20 0 FCADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000843057866 1222858342 /nfs/dbraw/zinc/85/83/42/1222858342.db2.gz NAALLSBNBJYCAJ-FUHWJXTLSA-N 2 1 374.485 0.631 20 0 FCADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843206686 1222860550 /nfs/dbraw/zinc/86/05/50/1222860550.db2.gz DIDMXGMZSDFVTE-HNNXBMFYSA-N 2 1 358.446 0.804 20 0 FCADMP C[NH+]1CCN(CCC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001143223434 1222870829 /nfs/dbraw/zinc/87/08/29/1222870829.db2.gz CWGJHTGQBUTXGX-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346685 1222870964 /nfs/dbraw/zinc/87/09/64/1222870964.db2.gz GTDCQBOHIQTNSW-NEPJUHHUSA-N 2 1 374.445 0.382 20 0 FCADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000843348826 1222871797 /nfs/dbraw/zinc/87/17/97/1222871797.db2.gz RQMNTCBAOSGGKM-YNAXMUEKSA-N 2 1 365.478 0.578 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733905 1222888909 /nfs/dbraw/zinc/88/89/09/1222888909.db2.gz PJLRQDMYZITDDA-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733905 1222888911 /nfs/dbraw/zinc/88/89/11/1222888911.db2.gz PJLRQDMYZITDDA-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733905 1222888914 /nfs/dbraw/zinc/88/89/14/1222888914.db2.gz PJLRQDMYZITDDA-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733905 1222888915 /nfs/dbraw/zinc/88/89/15/1222888915.db2.gz PJLRQDMYZITDDA-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)OCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881086 1222891172 /nfs/dbraw/zinc/89/11/72/1222891172.db2.gz DIZGPYRUMZDTRY-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881086 1222891176 /nfs/dbraw/zinc/89/11/76/1222891176.db2.gz DIZGPYRUMZDTRY-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881086 1222891177 /nfs/dbraw/zinc/89/11/77/1222891177.db2.gz DIZGPYRUMZDTRY-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881086 1222891178 /nfs/dbraw/zinc/89/11/78/1222891178.db2.gz DIZGPYRUMZDTRY-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150396380 1222900238 /nfs/dbraw/zinc/90/02/38/1222900238.db2.gz GHOWGXPFDLWFDI-HIFRSBDPSA-N 2 1 359.478 0.328 20 0 FCADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150396380 1222900243 /nfs/dbraw/zinc/90/02/43/1222900243.db2.gz GHOWGXPFDLWFDI-HIFRSBDPSA-N 2 1 359.478 0.328 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001153464881 1222976500 /nfs/dbraw/zinc/97/65/00/1222976500.db2.gz ZDQVGSXKZCLSHT-OWCLPIDISA-N 2 1 366.506 0.692 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001153464881 1222976505 /nfs/dbraw/zinc/97/65/05/1222976505.db2.gz ZDQVGSXKZCLSHT-OWCLPIDISA-N 2 1 366.506 0.692 20 0 FCADMP CC[N@H+](CCCc1nc(C)no1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998337 1222998433 /nfs/dbraw/zinc/99/84/33/1222998433.db2.gz PGZLHSGNCHRXRJ-IIAWOOMASA-N 2 1 367.494 0.856 20 0 FCADMP CC[N@@H+](CCCc1nc(C)no1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998337 1222998439 /nfs/dbraw/zinc/99/84/39/1222998439.db2.gz PGZLHSGNCHRXRJ-IIAWOOMASA-N 2 1 367.494 0.856 20 0 FCADMP CC[NH+](CCCc1nc(C)no1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998337 1222998443 /nfs/dbraw/zinc/99/84/43/1222998443.db2.gz PGZLHSGNCHRXRJ-IIAWOOMASA-N 2 1 367.494 0.856 20 0 FCADMP CC[NH+](CCCc1nc(C)no1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998337 1222998455 /nfs/dbraw/zinc/99/84/55/1222998455.db2.gz PGZLHSGNCHRXRJ-IIAWOOMASA-N 2 1 367.494 0.856 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH2+]C2CCOCC2)C1 ZINC001155330866 1223032939 /nfs/dbraw/zinc/03/29/39/1223032939.db2.gz DGEHIQOVDQIOBS-IBGZPJMESA-N 2 1 359.470 0.867 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH2+]C2CCOCC2)C1 ZINC001155330866 1223032941 /nfs/dbraw/zinc/03/29/41/1223032941.db2.gz DGEHIQOVDQIOBS-IBGZPJMESA-N 2 1 359.470 0.867 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(C(=O)N4CCOCC4)cn3)C2)C1 ZINC001155373221 1223033658 /nfs/dbraw/zinc/03/36/58/1223033658.db2.gz OHXGTGMTGWHGKZ-KRWDZBQOSA-N 2 1 359.474 0.413 20 0 FCADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394805 1223035264 /nfs/dbraw/zinc/03/52/64/1223035264.db2.gz WHMJRENNJZECGE-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394805 1223035270 /nfs/dbraw/zinc/03/52/70/1223035270.db2.gz WHMJRENNJZECGE-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001155394805 1223035274 /nfs/dbraw/zinc/03/52/74/1223035274.db2.gz WHMJRENNJZECGE-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001155394805 1223035278 /nfs/dbraw/zinc/03/52/78/1223035278.db2.gz WHMJRENNJZECGE-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP O=c1cc(CNc2ccc(OC3CC[NH2+]CC3)nn2)nc2n1CCC[NH2+]C2 ZINC001155489358 1223036562 /nfs/dbraw/zinc/03/65/62/1223036562.db2.gz MLYDQPMGEXWONE-UHFFFAOYSA-N 2 1 371.445 0.270 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081926 1223067270 /nfs/dbraw/zinc/06/72/70/1223067270.db2.gz FXQFKAZVZSINDU-QIIPPGSGSA-N 2 1 364.446 0.549 20 0 FCADMP [NH3+][C@H]1CN(C(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@H]1F ZINC001157544678 1223078767 /nfs/dbraw/zinc/07/87/67/1223078767.db2.gz HKDZZBVTQUIZMA-FTEYMNFISA-N 3 1 360.477 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157610270 1223079241 /nfs/dbraw/zinc/07/92/41/1223079241.db2.gz VWEOYJVLGVMVPG-HLLBOEOZSA-N 2 1 361.490 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157610270 1223079245 /nfs/dbraw/zinc/07/92/45/1223079245.db2.gz VWEOYJVLGVMVPG-HLLBOEOZSA-N 2 1 361.490 0.884 20 0 FCADMP C([C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CCO1)[NH+]1CCCC1 ZINC001158305266 1223094336 /nfs/dbraw/zinc/09/43/36/1223094336.db2.gz GQHRZWICMYJESU-OAHLLOKOSA-N 2 1 374.489 0.217 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380349 1223095964 /nfs/dbraw/zinc/09/59/64/1223095964.db2.gz QMVXRRJLGQCITA-RRFJBIMHSA-N 2 1 369.510 0.293 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)Nc2ncccn2)CC[N@H+]1C ZINC001158404173 1223096920 /nfs/dbraw/zinc/09/69/20/1223096920.db2.gz RJXXFUHYEXSZSO-QLFBSQMISA-N 2 1 362.478 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC(C)C)CC[N@H+]1C ZINC001158412613 1223097174 /nfs/dbraw/zinc/09/71/74/1223097174.db2.gz RHXVDTVVQYEKPO-DLBZAZTESA-N 2 1 370.538 0.744 20 0 FCADMP COc1ccnc(O[C@@H]2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)n1 ZINC001158438118 1223097752 /nfs/dbraw/zinc/09/77/52/1223097752.db2.gz CBBZXMCXCDWPLZ-CQSZACIVSA-N 2 1 371.445 0.860 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(NCc3ccc(N4CCOCC4)nn3)n2)CC1 ZINC001158780550 1223108948 /nfs/dbraw/zinc/10/89/48/1223108948.db2.gz CJVWZBFWQNUSIT-UHFFFAOYSA-N 2 1 370.461 0.643 20 0 FCADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159116225 1223117830 /nfs/dbraw/zinc/11/78/30/1223117830.db2.gz JBGCCUWBTLSFGE-IRXDYDNUSA-N 2 1 361.490 0.197 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]21 ZINC001159535298 1223129243 /nfs/dbraw/zinc/12/92/43/1223129243.db2.gz VUKYMACDEHXHKL-QYZOEREBSA-N 2 1 374.533 0.488 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC[C@@H]21 ZINC001159533404 1223129249 /nfs/dbraw/zinc/12/92/49/1223129249.db2.gz FPULTDPGDAYANX-FPSMNIFISA-N 2 1 360.506 0.272 20 0 FCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC[C@@H]21 ZINC001159533404 1223129250 /nfs/dbraw/zinc/12/92/50/1223129250.db2.gz FPULTDPGDAYANX-FPSMNIFISA-N 2 1 360.506 0.272 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC[C@@H]21 ZINC001159533404 1223129253 /nfs/dbraw/zinc/12/92/53/1223129253.db2.gz FPULTDPGDAYANX-FPSMNIFISA-N 2 1 360.506 0.272 20 0 FCADMP O=C([C@H]1C[NH2+]Cc2ccnn21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549797 1223129898 /nfs/dbraw/zinc/12/98/98/1223129898.db2.gz QDVDJUKHJSLZLW-QGZVFWFLSA-N 2 1 369.473 0.799 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667139 1223132900 /nfs/dbraw/zinc/13/29/00/1223132900.db2.gz SUXGMRIIRUDJKO-RBUKOAKNSA-N 2 1 373.501 0.225 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159697093 1223134166 /nfs/dbraw/zinc/13/41/66/1223134166.db2.gz MDKQEVPEGPAGPC-BPQIPLTHSA-N 2 1 374.485 0.808 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855100 1223137893 /nfs/dbraw/zinc/13/78/93/1223137893.db2.gz HVEZSWAFSQVUMG-NJAFHUGGSA-N 3 1 364.465 0.946 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855100 1223137895 /nfs/dbraw/zinc/13/78/95/1223137895.db2.gz HVEZSWAFSQVUMG-NJAFHUGGSA-N 2 1 364.465 0.946 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160027342 1223142999 /nfs/dbraw/zinc/14/29/99/1223142999.db2.gz VFBYDIQGXOUDBH-ZACQAIPSSA-N 2 1 364.490 0.099 20 0 FCADMP N[C@]1(C(=O)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCC[NH2+]C1 ZINC001160053544 1223143571 /nfs/dbraw/zinc/14/35/71/1223143571.db2.gz SCQZYHBGSPTRIY-HXUWFJFHSA-N 2 1 357.502 0.977 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065532 1223144070 /nfs/dbraw/zinc/14/40/70/1223144070.db2.gz KUETVVYXSXXHTK-CQSZACIVSA-N 2 1 356.430 0.293 20 0 FCADMP Cc1ccc(N(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171536 1223147122 /nfs/dbraw/zinc/14/71/22/1223147122.db2.gz NTLQKTOSRIRQAM-KDOFPFPSSA-N 2 1 366.469 0.827 20 0 FCADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157435 1223147531 /nfs/dbraw/zinc/14/75/31/1223147531.db2.gz VTAHRXQMYNNOBC-OWCLPIDISA-N 2 1 367.490 0.757 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@H]21 ZINC001160423941 1223159089 /nfs/dbraw/zinc/15/90/89/1223159089.db2.gz NYOXWQZPBUEWJS-SJQORLFUSA-N 2 1 358.486 0.721 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C[C@H]21 ZINC001160422406 1223159222 /nfs/dbraw/zinc/15/92/22/1223159222.db2.gz FQOCRJTXPDMJSR-DBDQLMEASA-N 2 1 358.486 0.863 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CCn3cncn3)CC2)O1 ZINC001160466745 1223160479 /nfs/dbraw/zinc/16/04/79/1223160479.db2.gz HLBKPBZFUVRMCL-NVXWUHKLSA-N 2 1 362.478 0.136 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CCn3cncn3)CC2)O1 ZINC001160466745 1223160482 /nfs/dbraw/zinc/16/04/82/1223160482.db2.gz HLBKPBZFUVRMCL-NVXWUHKLSA-N 2 1 362.478 0.136 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](CCn3cncn3)CC2)O1 ZINC001160466745 1223160487 /nfs/dbraw/zinc/16/04/87/1223160487.db2.gz HLBKPBZFUVRMCL-NVXWUHKLSA-N 2 1 362.478 0.136 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](CCn3cncn3)CC2)O1 ZINC001160466745 1223160491 /nfs/dbraw/zinc/16/04/91/1223160491.db2.gz HLBKPBZFUVRMCL-NVXWUHKLSA-N 2 1 362.478 0.136 20 0 FCADMP COC(=O)C1CCN(c2ccc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)nn2)CC1 ZINC001160514065 1223163064 /nfs/dbraw/zinc/16/30/64/1223163064.db2.gz SVKSDHSHNONQSB-LJQANCHMSA-N 2 1 374.489 0.701 20 0 FCADMP [NH3+]C[C@@]1(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CN2CCC1CC2 ZINC001160518469 1223163617 /nfs/dbraw/zinc/16/36/17/1223163617.db2.gz HCAIDNDHQSNLRQ-LJQANCHMSA-N 2 1 372.521 0.907 20 0 FCADMP CC[C@@H]1CCCCN1C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857585 1223178023 /nfs/dbraw/zinc/17/80/23/1223178023.db2.gz LXNZBWAELAEVIA-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1CCCCN1C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857585 1223178027 /nfs/dbraw/zinc/17/80/27/1223178027.db2.gz LXNZBWAELAEVIA-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160959345 1223182414 /nfs/dbraw/zinc/18/24/14/1223182414.db2.gz TWHMAADQITWHON-UNQGMJICSA-N 2 1 357.462 0.178 20 0 FCADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371161 1223197144 /nfs/dbraw/zinc/19/71/44/1223197144.db2.gz BGTIWXUFSBMNPW-IRXDYDNUSA-N 3 1 372.517 0.158 20 0 FCADMP CCC(C)(CC)OC(=O)C[C@H](N)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444899 1223199745 /nfs/dbraw/zinc/19/97/45/1223199745.db2.gz LWLNOXUMGLOJGU-CVEARBPZSA-N 2 1 370.538 0.968 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161586008 1223204643 /nfs/dbraw/zinc/20/46/43/1223204643.db2.gz APGPXFZGRZWFSH-IBGZPJMESA-N 2 1 371.529 0.400 20 0 FCADMP COCC(=O)N[C@H]1CC[C@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001161675553 1223206378 /nfs/dbraw/zinc/20/63/78/1223206378.db2.gz KTMNTYTWXYOGNG-SHTZXODSSA-N 2 1 362.478 0.890 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)CCN3C(=O)CCC3=O)CC2)CC1 ZINC001162185078 1223211564 /nfs/dbraw/zinc/21/15/64/1223211564.db2.gz LZEIQNOEJVKHFR-UHFFFAOYSA-N 2 1 364.490 0.544 20 0 FCADMP [NH3+]CCCC[NH2+]CCCNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001162291933 1223213671 /nfs/dbraw/zinc/21/36/71/1223213671.db2.gz JNZUHWFWSGAIEF-UHFFFAOYSA-N 3 1 362.526 0.624 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N[C@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001163240221 1223228124 /nfs/dbraw/zinc/22/81/24/1223228124.db2.gz UKXIAUUWEMTERR-HNAYVOBHSA-N 2 1 367.457 0.372 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164583276 1223240334 /nfs/dbraw/zinc/24/03/34/1223240334.db2.gz WNVMGEHTCKNGNV-NVXWUHKLSA-N 2 1 368.522 0.355 20 0 FCADMP NC(=O)[C@@H]1CN(c2ncnc3c2CN(Cc2ccccc2)CC3)CC[NH2+]1 ZINC001165071214 1223241126 /nfs/dbraw/zinc/24/11/26/1223241126.db2.gz FRNDIPYFTKABDE-KRWDZBQOSA-N 2 1 352.442 0.298 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)CC1 ZINC001165085497 1223241601 /nfs/dbraw/zinc/24/16/01/1223241601.db2.gz PVHJPAFDQAKODC-UHFFFAOYSA-N 2 1 372.517 0.482 20 0 FCADMP [NH3+]C1([C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]2CF)CC1 ZINC001165432384 1223246058 /nfs/dbraw/zinc/24/60/58/1223246058.db2.gz JGMGLAJCSJJGHG-JSGCOSHPSA-N 2 1 362.453 0.430 20 0 FCADMP C[NH+](C)CCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205211546 1223317242 /nfs/dbraw/zinc/31/72/42/1223317242.db2.gz HEXQQJXWTILPRN-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001205515789 1223329824 /nfs/dbraw/zinc/32/98/24/1223329824.db2.gz DSGRGAVWSFLJKM-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001205515789 1223329825 /nfs/dbraw/zinc/32/98/25/1223329825.db2.gz DSGRGAVWSFLJKM-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP COCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519664 1223330452 /nfs/dbraw/zinc/33/04/52/1223330452.db2.gz ZPTMTSNQOTUHBT-FGTMMUONSA-N 2 1 365.518 0.914 20 0 FCADMP COc1cnccc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206457959 1223359340 /nfs/dbraw/zinc/35/93/40/1223359340.db2.gz FSIYZSKSZVKBOB-SJLPKXTDSA-N 2 1 362.474 0.701 20 0 FCADMP COc1cnccc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206457959 1223359343 /nfs/dbraw/zinc/35/93/43/1223359343.db2.gz FSIYZSKSZVKBOB-SJLPKXTDSA-N 2 1 362.474 0.701 20 0 FCADMP COc1cnccc1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206457959 1223359345 /nfs/dbraw/zinc/35/93/45/1223359345.db2.gz FSIYZSKSZVKBOB-SJLPKXTDSA-N 2 1 362.474 0.701 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(F)cn1)CC2 ZINC001207038727 1223407920 /nfs/dbraw/zinc/40/79/20/1223407920.db2.gz LRVIAEKQNANXNQ-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP CCn1ccnc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001207143235 1223420428 /nfs/dbraw/zinc/42/04/28/1223420428.db2.gz XFHXNVXHOGDYHP-UHFFFAOYSA-N 2 1 362.522 0.573 20 0 FCADMP CCn1ccnc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001207143235 1223420433 /nfs/dbraw/zinc/42/04/33/1223420433.db2.gz XFHXNVXHOGDYHP-UHFFFAOYSA-N 2 1 362.522 0.573 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21)c1ccnnc1 ZINC001207437415 1223446762 /nfs/dbraw/zinc/44/67/62/1223446762.db2.gz WMONWKFKVRXVET-OKZBNKHCSA-N 2 1 359.474 0.543 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541016 1223453703 /nfs/dbraw/zinc/45/37/03/1223453703.db2.gz PTGJFJAUYAVFSA-QLFBSQMISA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541016 1223453705 /nfs/dbraw/zinc/45/37/05/1223453705.db2.gz PTGJFJAUYAVFSA-QLFBSQMISA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541016 1223453708 /nfs/dbraw/zinc/45/37/08/1223453708.db2.gz PTGJFJAUYAVFSA-QLFBSQMISA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541016 1223453712 /nfs/dbraw/zinc/45/37/12/1223453712.db2.gz PTGJFJAUYAVFSA-QLFBSQMISA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563291 1223456416 /nfs/dbraw/zinc/45/64/16/1223456416.db2.gz NZAHBOLUQQTWIK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563291 1223456423 /nfs/dbraw/zinc/45/64/23/1223456423.db2.gz NZAHBOLUQQTWIK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563291 1223456428 /nfs/dbraw/zinc/45/64/28/1223456428.db2.gz NZAHBOLUQQTWIK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563291 1223456433 /nfs/dbraw/zinc/45/64/33/1223456433.db2.gz NZAHBOLUQQTWIK-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CCCn3cccn3)CC2)C1 ZINC001208078804 1223514068 /nfs/dbraw/zinc/51/40/68/1223514068.db2.gz LLEDIOYOEJJWQS-UHFFFAOYSA-N 2 1 363.506 0.776 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CCCn3cccn3)CC2)C1 ZINC001208078804 1223514069 /nfs/dbraw/zinc/51/40/69/1223514069.db2.gz LLEDIOYOEJJWQS-UHFFFAOYSA-N 2 1 363.506 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208115014 1223516877 /nfs/dbraw/zinc/51/68/77/1223516877.db2.gz XLXLYRUZBIBUGM-OLMNPRSZSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208115014 1223516882 /nfs/dbraw/zinc/51/68/82/1223516882.db2.gz XLXLYRUZBIBUGM-OLMNPRSZSA-N 2 1 362.518 0.824 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001208362295 1223535452 /nfs/dbraw/zinc/53/54/52/1223535452.db2.gz NAOYPDAXASTXGT-ARFHVFGLSA-N 2 1 359.474 0.962 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001208411308 1223541914 /nfs/dbraw/zinc/54/19/14/1223541914.db2.gz RABQCPAHVROACI-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001208411308 1223541916 /nfs/dbraw/zinc/54/19/16/1223541916.db2.gz RABQCPAHVROACI-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432186 1223545539 /nfs/dbraw/zinc/54/55/39/1223545539.db2.gz OXIIXXIPEQUOCD-HUUCEWRRSA-N 2 1 367.538 0.862 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485442 1223551545 /nfs/dbraw/zinc/55/15/45/1223551545.db2.gz KMOSGQMWBVPOPH-HLLBOEOZSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485442 1223551549 /nfs/dbraw/zinc/55/15/49/1223551549.db2.gz KMOSGQMWBVPOPH-HLLBOEOZSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001208527633 1223553034 /nfs/dbraw/zinc/55/30/34/1223553034.db2.gz QJFMWOUTQMIHIC-QGPMSJSTSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001208527633 1223553038 /nfs/dbraw/zinc/55/30/38/1223553038.db2.gz QJFMWOUTQMIHIC-QGPMSJSTSA-N 2 1 368.522 0.304 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208563210 1223556059 /nfs/dbraw/zinc/55/60/59/1223556059.db2.gz GYUOHBFJYDMKEH-BZUAXINKSA-N 2 1 366.506 0.692 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)CC1 ZINC001208596748 1223560762 /nfs/dbraw/zinc/56/07/62/1223560762.db2.gz XSZYCRTURZNTCQ-QGZVFWFLSA-N 2 1 363.506 0.809 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)CC1 ZINC001208596748 1223560766 /nfs/dbraw/zinc/56/07/66/1223560766.db2.gz XSZYCRTURZNTCQ-QGZVFWFLSA-N 2 1 363.506 0.809 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612061 1223563553 /nfs/dbraw/zinc/56/35/53/1223563553.db2.gz DUZMUOAUMCMKJH-DSLXNQLJSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612061 1223563556 /nfs/dbraw/zinc/56/35/56/1223563556.db2.gz DUZMUOAUMCMKJH-DSLXNQLJSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C1 ZINC001208612061 1223563559 /nfs/dbraw/zinc/56/35/59/1223563559.db2.gz DUZMUOAUMCMKJH-DSLXNQLJSA-N 2 1 373.501 0.885 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613365 1223563663 /nfs/dbraw/zinc/56/36/63/1223563663.db2.gz MWHSCRGHSAXSIB-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613365 1223563667 /nfs/dbraw/zinc/56/36/67/1223563667.db2.gz MWHSCRGHSAXSIB-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C1 ZINC001208613365 1223563671 /nfs/dbraw/zinc/56/36/71/1223563671.db2.gz MWHSCRGHSAXSIB-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612402 1223563734 /nfs/dbraw/zinc/56/37/34/1223563734.db2.gz HPRWLRUPNXQGOQ-MBOZVWFJSA-N 2 1 372.517 0.835 20 0 FCADMP CNC(=O)[C@]12C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612402 1223563740 /nfs/dbraw/zinc/56/37/40/1223563740.db2.gz HPRWLRUPNXQGOQ-MBOZVWFJSA-N 2 1 372.517 0.835 20 0 FCADMP CNC(=O)[C@]12C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001208612402 1223563747 /nfs/dbraw/zinc/56/37/47/1223563747.db2.gz HPRWLRUPNXQGOQ-MBOZVWFJSA-N 2 1 372.517 0.835 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611468 1223564086 /nfs/dbraw/zinc/56/40/86/1223564086.db2.gz DJMFLYQLQOLYLQ-SFHVURJKSA-N 3 1 365.566 0.498 20 0 FCADMP CN1CCC[C@H](C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001208611468 1223564088 /nfs/dbraw/zinc/56/40/88/1223564088.db2.gz DJMFLYQLQOLYLQ-SFHVURJKSA-N 2 1 365.566 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208675579 1223570131 /nfs/dbraw/zinc/57/01/31/1223570131.db2.gz FAVJYKANZMGMIC-IXDOHACOSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208675579 1223570138 /nfs/dbraw/zinc/57/01/38/1223570138.db2.gz FAVJYKANZMGMIC-IXDOHACOSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208675579 1223570142 /nfs/dbraw/zinc/57/01/42/1223570142.db2.gz FAVJYKANZMGMIC-IXDOHACOSA-N 2 1 365.522 0.658 20 0 FCADMP COCCCC[N@@H+]1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001209217304 1223602890 /nfs/dbraw/zinc/60/28/90/1223602890.db2.gz ZBFZPGZSACHFCN-UHFFFAOYSA-N 2 1 360.462 0.831 20 0 FCADMP COC(CN1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276629889 1223608143 /nfs/dbraw/zinc/60/81/43/1223608143.db2.gz BKRBEUIBASQTED-LJQANCHMSA-N 2 1 368.522 0.167 20 0 FCADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](CCN4CCOCC4)CC[C@@H]3C2)c1 ZINC001209291800 1223609036 /nfs/dbraw/zinc/60/90/36/1223609036.db2.gz HGWPKGDSPWFFKT-WOJBJXKFSA-N 2 1 360.502 0.937 20 0 FCADMP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](CCN4CCOCC4)CC[C@@H]3C2)c1 ZINC001209291800 1223609038 /nfs/dbraw/zinc/60/90/38/1223609038.db2.gz HGWPKGDSPWFFKT-WOJBJXKFSA-N 2 1 360.502 0.937 20 0 FCADMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](CCN4CCOCC4)CC[C@@H]3C2)c1 ZINC001209291800 1223609039 /nfs/dbraw/zinc/60/90/39/1223609039.db2.gz HGWPKGDSPWFFKT-WOJBJXKFSA-N 2 1 360.502 0.937 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC001209730961 1223644323 /nfs/dbraw/zinc/64/43/23/1223644323.db2.gz RYDRXICQUHXVMD-QILLFSRXSA-N 2 1 368.441 0.551 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC001209730961 1223644324 /nfs/dbraw/zinc/64/43/24/1223644324.db2.gz RYDRXICQUHXVMD-QILLFSRXSA-N 2 1 368.441 0.551 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001209836187 1223652977 /nfs/dbraw/zinc/65/29/77/1223652977.db2.gz JDYHTGYGXUUBJC-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001209836187 1223652979 /nfs/dbraw/zinc/65/29/79/1223652979.db2.gz JDYHTGYGXUUBJC-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836750 1223653009 /nfs/dbraw/zinc/65/30/09/1223653009.db2.gz QAGOQXHKCBIALY-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001209971697 1223659607 /nfs/dbraw/zinc/65/96/07/1223659607.db2.gz DNBWCSLQWJBXLI-ZTFGCOKTSA-N 2 1 358.442 0.930 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210040496 1223662854 /nfs/dbraw/zinc/66/28/54/1223662854.db2.gz JATYKXKYNRYPCC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210040496 1223662857 /nfs/dbraw/zinc/66/28/57/1223662857.db2.gz JATYKXKYNRYPCC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210040496 1223662863 /nfs/dbraw/zinc/66/28/63/1223662863.db2.gz JATYKXKYNRYPCC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210040496 1223662869 /nfs/dbraw/zinc/66/28/69/1223662869.db2.gz JATYKXKYNRYPCC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297931 1223681218 /nfs/dbraw/zinc/68/12/18/1223681218.db2.gz KIEBQZGEMRXATJ-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297931 1223681219 /nfs/dbraw/zinc/68/12/19/1223681219.db2.gz KIEBQZGEMRXATJ-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298978 1223681327 /nfs/dbraw/zinc/68/13/27/1223681327.db2.gz WBPNVZFSNWVFDK-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210298978 1223681329 /nfs/dbraw/zinc/68/13/29/1223681329.db2.gz WBPNVZFSNWVFDK-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210298978 1223681331 /nfs/dbraw/zinc/68/13/31/1223681331.db2.gz WBPNVZFSNWVFDK-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1cncn1C ZINC001210723478 1223705007 /nfs/dbraw/zinc/70/50/07/1223705007.db2.gz LYTTXTPEYNMCKN-VNQPRFMTSA-N 2 1 357.462 0.568 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444362 1223742635 /nfs/dbraw/zinc/74/26/35/1223742635.db2.gz XBDNXSULZLKOBG-OAGGEKHMSA-N 2 1 364.490 0.494 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447656 1223742881 /nfs/dbraw/zinc/74/28/81/1223742881.db2.gz AMTDZNCBCZXDQI-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447656 1223742882 /nfs/dbraw/zinc/74/28/82/1223742882.db2.gz AMTDZNCBCZXDQI-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167776 1223762437 /nfs/dbraw/zinc/76/24/37/1223762437.db2.gz KBGTVILGMOABEB-GVDBMIGSSA-N 2 1 368.478 0.040 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167776 1223762441 /nfs/dbraw/zinc/76/24/41/1223762441.db2.gz KBGTVILGMOABEB-GVDBMIGSSA-N 2 1 368.478 0.040 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213094 1223768576 /nfs/dbraw/zinc/76/85/76/1223768576.db2.gz FMHIZAIULOJADE-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219521 1223770547 /nfs/dbraw/zinc/77/05/47/1223770547.db2.gz XMTONSZUIHICSE-KZNAEPCWSA-N 2 1 371.522 0.464 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219521 1223770548 /nfs/dbraw/zinc/77/05/48/1223770548.db2.gz XMTONSZUIHICSE-KZNAEPCWSA-N 2 1 371.522 0.464 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219521 1223770550 /nfs/dbraw/zinc/77/05/50/1223770550.db2.gz XMTONSZUIHICSE-KZNAEPCWSA-N 2 1 371.522 0.464 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213328845 1223785839 /nfs/dbraw/zinc/78/58/39/1223785839.db2.gz CWFJRKSOWCZXJQ-KURKYZTESA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213328845 1223785843 /nfs/dbraw/zinc/78/58/43/1223785843.db2.gz CWFJRKSOWCZXJQ-KURKYZTESA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001213328845 1223785845 /nfs/dbraw/zinc/78/58/45/1223785845.db2.gz CWFJRKSOWCZXJQ-KURKYZTESA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[NH+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001213328845 1223785847 /nfs/dbraw/zinc/78/58/47/1223785847.db2.gz CWFJRKSOWCZXJQ-KURKYZTESA-N 2 1 371.522 0.726 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340082 1223787945 /nfs/dbraw/zinc/78/79/45/1223787945.db2.gz OLUYYIZXRDTDIL-QZTJIDSGSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348418 1223789353 /nfs/dbraw/zinc/78/93/53/1223789353.db2.gz LVNWOZOUQMWBQA-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347897 1223789389 /nfs/dbraw/zinc/78/93/89/1223789389.db2.gz CMASZBLHNQQXLF-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347897 1223789391 /nfs/dbraw/zinc/78/93/91/1223789391.db2.gz CMASZBLHNQQXLF-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348555 1223789488 /nfs/dbraw/zinc/78/94/88/1223789488.db2.gz OVGSCLPUSVMKGU-HUUCEWRRSA-N 2 1 371.526 0.241 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348555 1223789491 /nfs/dbraw/zinc/78/94/91/1223789491.db2.gz OVGSCLPUSVMKGU-HUUCEWRRSA-N 2 1 371.526 0.241 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434405 1223798384 /nfs/dbraw/zinc/79/83/84/1223798384.db2.gz AOPLXIUZLNHDEA-KZNAEPCWSA-N 2 1 365.522 0.898 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434405 1223798385 /nfs/dbraw/zinc/79/83/85/1223798385.db2.gz AOPLXIUZLNHDEA-KZNAEPCWSA-N 2 1 365.522 0.898 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC)[NH+](C)C ZINC001213458091 1223801277 /nfs/dbraw/zinc/80/12/77/1223801277.db2.gz KXELHUHTKPEEFA-IXDOHACOSA-N 2 1 366.510 0.604 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574949 1223816112 /nfs/dbraw/zinc/81/61/12/1223816112.db2.gz REAWVZKMOHJBQG-KZNAEPCWSA-N 2 1 365.474 0.185 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580721 1223817407 /nfs/dbraw/zinc/81/74/07/1223817407.db2.gz HCUHCUIBFPCATP-RCCFBDPRSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580721 1223817410 /nfs/dbraw/zinc/81/74/10/1223817410.db2.gz HCUHCUIBFPCATP-RCCFBDPRSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580422 1223817419 /nfs/dbraw/zinc/81/74/19/1223817419.db2.gz BHONHNYRTWWUFO-GVDBMIGSSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580422 1223817420 /nfs/dbraw/zinc/81/74/20/1223817420.db2.gz BHONHNYRTWWUFO-GVDBMIGSSA-N 2 1 369.506 0.339 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213595019 1223820134 /nfs/dbraw/zinc/82/01/34/1223820134.db2.gz WRFOJHDHJXCMEV-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213595019 1223820136 /nfs/dbraw/zinc/82/01/36/1223820136.db2.gz WRFOJHDHJXCMEV-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638234 1223825654 /nfs/dbraw/zinc/82/56/54/1223825654.db2.gz FAEDFIXBYWKFJK-QZTJIDSGSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638464 1223826119 /nfs/dbraw/zinc/82/61/19/1223826119.db2.gz PRNLTWWLHNIMCE-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655102 1223828804 /nfs/dbraw/zinc/82/88/04/1223828804.db2.gz BLPDADZOQVEMHA-QZTJIDSGSA-N 2 1 371.522 0.585 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730215 1223840369 /nfs/dbraw/zinc/84/03/69/1223840369.db2.gz ITWVXEGEJWVXKS-QZTJIDSGSA-N 2 1 365.474 0.073 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764898 1223846245 /nfs/dbraw/zinc/84/62/45/1223846245.db2.gz KCPDJUFGMJKGQX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764898 1223846247 /nfs/dbraw/zinc/84/62/47/1223846247.db2.gz KCPDJUFGMJKGQX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764898 1223846249 /nfs/dbraw/zinc/84/62/49/1223846249.db2.gz KCPDJUFGMJKGQX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764898 1223846251 /nfs/dbraw/zinc/84/62/51/1223846251.db2.gz KCPDJUFGMJKGQX-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213769087 1223846956 /nfs/dbraw/zinc/84/69/56/1223846956.db2.gz HSGWXUNZUCARKO-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213769087 1223846959 /nfs/dbraw/zinc/84/69/59/1223846959.db2.gz HSGWXUNZUCARKO-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1OC ZINC001213769087 1223846960 /nfs/dbraw/zinc/84/69/60/1223846960.db2.gz HSGWXUNZUCARKO-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863233 1223864039 /nfs/dbraw/zinc/86/40/39/1223864039.db2.gz IACTVUNBLNFVRY-QXAKKESOSA-N 2 1 361.486 0.970 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892444 1223868325 /nfs/dbraw/zinc/86/83/25/1223868325.db2.gz GECSAHRCPRDTJI-KURKYZTESA-N 2 1 371.522 0.585 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892444 1223868326 /nfs/dbraw/zinc/86/83/26/1223868326.db2.gz GECSAHRCPRDTJI-KURKYZTESA-N 2 1 371.522 0.585 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214861293 1223949224 /nfs/dbraw/zinc/94/92/24/1223949224.db2.gz PELCPTRVVCADPI-HYVNUMGLSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889348 1223952310 /nfs/dbraw/zinc/95/23/10/1223952310.db2.gz JKPCPPHZFFWSSL-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978171743 1248714330 /nfs/dbraw/zinc/71/43/30/1248714330.db2.gz SKANJNJZYSXFDM-YXWSMURKSA-N 2 1 360.506 0.529 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978171743 1248714335 /nfs/dbraw/zinc/71/43/35/1248714335.db2.gz SKANJNJZYSXFDM-YXWSMURKSA-N 2 1 360.506 0.529 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978171743 1248714337 /nfs/dbraw/zinc/71/43/37/1248714337.db2.gz SKANJNJZYSXFDM-YXWSMURKSA-N 2 1 360.506 0.529 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001214950618 1223958585 /nfs/dbraw/zinc/95/85/85/1223958585.db2.gz UWYBJZDLAHXOMV-JOCBIADPSA-N 2 1 374.485 0.781 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001214950618 1223958586 /nfs/dbraw/zinc/95/85/86/1223958586.db2.gz UWYBJZDLAHXOMV-JOCBIADPSA-N 2 1 374.485 0.781 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214952783 1223959051 /nfs/dbraw/zinc/95/90/51/1223959051.db2.gz MCFSATXSHSCVLW-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214952783 1223959055 /nfs/dbraw/zinc/95/90/55/1223959055.db2.gz MCFSATXSHSCVLW-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001214998092 1223962183 /nfs/dbraw/zinc/96/21/83/1223962183.db2.gz RDRIIZFNVZRYFM-OWCLPIDISA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001214996912 1223962515 /nfs/dbraw/zinc/96/25/15/1223962515.db2.gz FGZZVKLWZXZTCI-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215004264 1223962701 /nfs/dbraw/zinc/96/27/01/1223962701.db2.gz XWJWHDTXILVBNZ-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001215155773 1223978753 /nfs/dbraw/zinc/97/87/53/1223978753.db2.gz JCBXBRAXHNPQBR-VHDGCEQUSA-N 2 1 371.445 0.445 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001215155772 1223979102 /nfs/dbraw/zinc/97/91/02/1223979102.db2.gz JCBXBRAXHNPQBR-BPLDGKMQSA-N 2 1 371.445 0.445 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215162786 1223979458 /nfs/dbraw/zinc/97/94/58/1223979458.db2.gz WMFKHKKZJPQAMT-CZUORRHYSA-N 2 1 359.474 0.477 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215409609 1223998039 /nfs/dbraw/zinc/99/80/39/1223998039.db2.gz AOCWJZZWACVOJW-QGPMSJSTSA-N 2 1 364.490 0.853 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncn2C)C1)[NH+]1CCCC1 ZINC001215598664 1224008629 /nfs/dbraw/zinc/00/86/29/1224008629.db2.gz GBUWQWBMAJWYIU-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001215934216 1224025015 /nfs/dbraw/zinc/02/50/15/1224025015.db2.gz IVFIHQGNSVBLPG-VHDGCEQUSA-N 2 1 361.446 0.213 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001215938473 1224025974 /nfs/dbraw/zinc/02/59/74/1224025974.db2.gz BGJGAAJWFUOHPJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081583 1224033789 /nfs/dbraw/zinc/03/37/89/1224033789.db2.gz IOCJFADJHPPGAU-DVOMOZLQSA-N 2 1 356.430 0.452 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216756259 1224068960 /nfs/dbraw/zinc/06/89/60/1224068960.db2.gz ZPKPNKCTQMJQJH-CZUORRHYSA-N 2 1 359.430 0.537 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)C2)C1 ZINC001216801814 1224073558 /nfs/dbraw/zinc/07/35/58/1224073558.db2.gz VTCXCUJIKXXQLZ-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)C2)C1 ZINC001216801814 1224073561 /nfs/dbraw/zinc/07/35/61/1224073561.db2.gz VTCXCUJIKXXQLZ-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001216854259 1224079112 /nfs/dbraw/zinc/07/91/12/1224079112.db2.gz WCBKHHHEKMRPJG-ZIAGYGMSSA-N 2 1 367.494 0.094 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)O1 ZINC000978316531 1248728203 /nfs/dbraw/zinc/72/82/03/1248728203.db2.gz AGJHTFUFKOGLNR-RXABAKJHSA-N 2 1 365.518 0.816 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)O1 ZINC000978316531 1248728207 /nfs/dbraw/zinc/72/82/07/1248728207.db2.gz AGJHTFUFKOGLNR-RXABAKJHSA-N 2 1 365.518 0.816 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]32)O1 ZINC000978316531 1248728214 /nfs/dbraw/zinc/72/82/14/1248728214.db2.gz AGJHTFUFKOGLNR-RXABAKJHSA-N 2 1 365.518 0.816 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]32)O1 ZINC000978316531 1248728221 /nfs/dbraw/zinc/72/82/21/1248728221.db2.gz AGJHTFUFKOGLNR-RXABAKJHSA-N 2 1 365.518 0.816 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000993214772 1249385169 /nfs/dbraw/zinc/38/51/69/1249385169.db2.gz WDMDXLYNWMBCCT-YZLZLFLDSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000993214772 1249385178 /nfs/dbraw/zinc/38/51/78/1249385178.db2.gz WDMDXLYNWMBCCT-YZLZLFLDSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000993214772 1249385190 /nfs/dbraw/zinc/38/51/90/1249385190.db2.gz WDMDXLYNWMBCCT-YZLZLFLDSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994034488 1250159339 /nfs/dbraw/zinc/15/93/39/1250159339.db2.gz VFAIDAPVEUSKPH-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)CN1CC[NH+](C)CC1 ZINC000849071672 1245391695 /nfs/dbraw/zinc/39/16/95/1245391695.db2.gz SQRHTWNLSHURDT-MRXNPFEDSA-N 2 1 360.510 0.006 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891580289 1245456679 /nfs/dbraw/zinc/45/66/79/1245456679.db2.gz VZJHGKLBCRIMNY-QGZVFWFLSA-N 2 1 367.538 0.472 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516065 1245504501 /nfs/dbraw/zinc/50/45/01/1245504501.db2.gz IHYMXNJTHQNQPV-IAGOWNOFSA-N 2 1 355.442 0.781 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517434 1245504989 /nfs/dbraw/zinc/50/49/89/1245504989.db2.gz JHMDIPCIDRNUIP-NRSFXHEJSA-N 2 1 356.470 0.670 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000911518658 1245505712 /nfs/dbraw/zinc/50/57/12/1245505712.db2.gz ZRWAPVSPVMBYBD-MJSCVDMRSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000911518657 1245506293 /nfs/dbraw/zinc/50/62/93/1245506293.db2.gz ZRWAPVSPVMBYBD-LTCOOKNTSA-N 2 1 358.486 0.964 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000911531554 1245508062 /nfs/dbraw/zinc/50/80/62/1245508062.db2.gz HWEJGWFFKXDBTQ-DLBZAZTESA-N 2 1 358.486 0.788 20 0 FCADMP CCN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919118958 1245596130 /nfs/dbraw/zinc/59/61/30/1245596130.db2.gz MZGHMHNNNOANTR-VDCDIQELSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919118958 1245596140 /nfs/dbraw/zinc/59/61/40/1245596140.db2.gz MZGHMHNNNOANTR-VDCDIQELSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919118958 1245596148 /nfs/dbraw/zinc/59/61/48/1245596148.db2.gz MZGHMHNNNOANTR-VDCDIQELSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919118958 1245596154 /nfs/dbraw/zinc/59/61/54/1245596154.db2.gz MZGHMHNNNOANTR-VDCDIQELSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919118958 1245596164 /nfs/dbraw/zinc/59/61/64/1245596164.db2.gz MZGHMHNNNOANTR-VDCDIQELSA-N 2 1 368.522 0.486 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)Nc1ccc(F)cc1 ZINC000923318398 1245707407 /nfs/dbraw/zinc/70/74/07/1245707407.db2.gz IZJYJEYBVFFJIE-QGZVFWFLSA-N 2 1 362.449 0.760 20 0 FCADMP COC(=O)c1cncc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329357 1245708480 /nfs/dbraw/zinc/70/84/80/1245708480.db2.gz SSRZCEDJUQSHPF-PBHICJAKSA-N 2 1 360.458 0.948 20 0 FCADMP COC(=O)c1cncc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329357 1245708491 /nfs/dbraw/zinc/70/84/91/1245708491.db2.gz SSRZCEDJUQSHPF-PBHICJAKSA-N 2 1 360.458 0.948 20 0 FCADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325237 1245709860 /nfs/dbraw/zinc/70/98/60/1245709860.db2.gz BJGIUHFPOOSNEZ-GJZGRUSLSA-N 2 1 365.478 0.663 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938778254 1245920041 /nfs/dbraw/zinc/92/00/41/1245920041.db2.gz JNBCJRGRDOGEHV-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938778254 1245920046 /nfs/dbraw/zinc/92/00/46/1245920046.db2.gz JNBCJRGRDOGEHV-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939887177 1246184259 /nfs/dbraw/zinc/18/42/59/1246184259.db2.gz IXLJDAWGQFNRLJ-MUIFIZLQSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939887177 1246184265 /nfs/dbraw/zinc/18/42/65/1246184265.db2.gz IXLJDAWGQFNRLJ-MUIFIZLQSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)C1 ZINC000940294795 1246266593 /nfs/dbraw/zinc/26/65/93/1246266593.db2.gz CIAYRLUIFWAHFG-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000940755524 1246377511 /nfs/dbraw/zinc/37/75/11/1246377511.db2.gz BNCVCJJGOFGRNO-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000941102599 1246462023 /nfs/dbraw/zinc/46/20/23/1246462023.db2.gz BNHSJNKCBAIXOD-BZUAXINKSA-N 2 1 359.474 0.536 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@@H]4CCCOC4)C3)CC2)CC[N@H+]1C ZINC000941414043 1246610360 /nfs/dbraw/zinc/61/03/60/1246610360.db2.gz LBEQLGXWGUXTAP-ZIFCJYIRSA-N 2 1 364.534 0.582 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000941488922 1246649111 /nfs/dbraw/zinc/64/91/11/1246649111.db2.gz MMIZGJHGHXCDPH-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000941488922 1246649116 /nfs/dbraw/zinc/64/91/16/1246649116.db2.gz MMIZGJHGHXCDPH-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000941488922 1246649128 /nfs/dbraw/zinc/64/91/28/1246649128.db2.gz MMIZGJHGHXCDPH-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000941488922 1246649133 /nfs/dbraw/zinc/64/91/33/1246649133.db2.gz MMIZGJHGHXCDPH-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000941646024 1246745187 /nfs/dbraw/zinc/74/51/87/1246745187.db2.gz YVKGQZHEDOPYEH-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000941646024 1246745194 /nfs/dbraw/zinc/74/51/94/1246745194.db2.gz YVKGQZHEDOPYEH-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000994219566 1250292402 /nfs/dbraw/zinc/29/24/02/1250292402.db2.gz QVVXVHMOUIJKRK-JFIYKMOQSA-N 2 1 364.534 0.881 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300330 1247289078 /nfs/dbraw/zinc/28/90/78/1247289078.db2.gz AVOIJNBAXLDDQB-NUEKZKHPSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300330 1247289086 /nfs/dbraw/zinc/28/90/86/1247289086.db2.gz AVOIJNBAXLDDQB-NUEKZKHPSA-N 2 1 363.462 0.018 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)CC2)CC[N@H+]1C ZINC000944949415 1247687496 /nfs/dbraw/zinc/68/74/96/1247687496.db2.gz SOMXEFPEDUAPPQ-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)CC2)CC[NH+]1C ZINC000944949415 1247687503 /nfs/dbraw/zinc/68/75/03/1247687503.db2.gz SOMXEFPEDUAPPQ-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[N@H+]4C)C3)CC2)CC[NH+]1C ZINC000944949415 1247687511 /nfs/dbraw/zinc/68/75/11/1247687511.db2.gz SOMXEFPEDUAPPQ-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946631406 1247926087 /nfs/dbraw/zinc/92/60/87/1247926087.db2.gz GCIHTGAASMMCSA-DXWTWGPWSA-N 2 1 371.485 0.962 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642473 1247932684 /nfs/dbraw/zinc/93/26/84/1247932684.db2.gz LFVWDKLSWFBTRP-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642473 1247932698 /nfs/dbraw/zinc/93/26/98/1247932698.db2.gz LFVWDKLSWFBTRP-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642473 1247932705 /nfs/dbraw/zinc/93/27/05/1247932705.db2.gz LFVWDKLSWFBTRP-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642473 1247932713 /nfs/dbraw/zinc/93/27/13/1247932713.db2.gz LFVWDKLSWFBTRP-IEWDOMPSSA-N 2 1 365.518 0.912 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946769553 1248000265 /nfs/dbraw/zinc/00/02/65/1248000265.db2.gz AQOIRFXHFCHHAC-ARFHVFGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CCC1 ZINC000972737493 1248125181 /nfs/dbraw/zinc/12/51/81/1248125181.db2.gz DMYFFZPQXQKNPA-SJLPKXTDSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001327932068 1265456975 /nfs/dbraw/zinc/45/69/75/1265456975.db2.gz GFIBMMIXADQIMT-ROUUACIJSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001327932064 1265457464 /nfs/dbraw/zinc/45/74/64/1265457464.db2.gz GFIBMMIXADQIMT-MSOLQXFVSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)CC[N@H+]1C ZINC000976596084 1248270995 /nfs/dbraw/zinc/27/09/95/1248270995.db2.gz QSNPQYLBNWQJDQ-FUEZWAHWSA-N 2 1 367.453 0.861 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976611908 1248293595 /nfs/dbraw/zinc/29/35/95/1248293595.db2.gz YOIPYCYPBSVZDK-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)C[C@H]32)CC[NH+]1C ZINC000976611908 1248293607 /nfs/dbraw/zinc/29/36/07/1248293607.db2.gz YOIPYCYPBSVZDK-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@H]32)CC[NH+]1C ZINC000976611908 1248293620 /nfs/dbraw/zinc/29/36/20/1248293620.db2.gz YOIPYCYPBSVZDK-WMOPWKTHSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC000976611031 1248293859 /nfs/dbraw/zinc/29/38/59/1248293859.db2.gz SJRQKOXIXMCMBD-MNWMBMHPSA-N 2 1 364.534 0.876 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000976761343 1248393566 /nfs/dbraw/zinc/39/35/66/1248393566.db2.gz OXPTXTYLNXEHKD-QXDIGNSFSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976990538 1248511419 /nfs/dbraw/zinc/51/14/19/1248511419.db2.gz XWRDJQJNARECEJ-GVDBMIGSSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1C ZINC000977195963 1248567078 /nfs/dbraw/zinc/56/70/78/1248567078.db2.gz JYCXZJZNVVUKMO-WMOPWKTHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1C ZINC000977195963 1248567088 /nfs/dbraw/zinc/56/70/88/1248567088.db2.gz JYCXZJZNVVUKMO-WMOPWKTHSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1C ZINC000977195963 1248567100 /nfs/dbraw/zinc/56/71/00/1248567100.db2.gz JYCXZJZNVVUKMO-WMOPWKTHSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)O1 ZINC000994848072 1250710826 /nfs/dbraw/zinc/71/08/26/1250710826.db2.gz RLGJNKISJOTRIT-GDBMZVCRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)O1 ZINC000994848072 1250710835 /nfs/dbraw/zinc/71/08/35/1250710835.db2.gz RLGJNKISJOTRIT-GDBMZVCRSA-N 2 1 366.506 0.297 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994851740 1250714246 /nfs/dbraw/zinc/71/42/46/1250714246.db2.gz YHPOZQUZPMXIIT-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994851740 1250714252 /nfs/dbraw/zinc/71/42/52/1250714252.db2.gz YHPOZQUZPMXIIT-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994851740 1250714260 /nfs/dbraw/zinc/71/42/60/1250714260.db2.gz YHPOZQUZPMXIIT-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994851740 1250714264 /nfs/dbraw/zinc/71/42/64/1250714264.db2.gz YHPOZQUZPMXIIT-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC000996538726 1251373841 /nfs/dbraw/zinc/37/38/41/1251373841.db2.gz NTQZCGBWOLWROO-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnc4n3CCOC4)CC2)CC[N@H+]1C ZINC000996609518 1251403263 /nfs/dbraw/zinc/40/32/63/1251403263.db2.gz VEMZAOIGTFATEK-UKRRQHHQSA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccn(C)c(=O)c3)CC2)O1 ZINC000996710922 1251420827 /nfs/dbraw/zinc/42/08/27/1251420827.db2.gz HFGUANJZLMLOOG-RHSMWYFYSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccn(C)c(=O)c3)CC2)O1 ZINC000996710922 1251420839 /nfs/dbraw/zinc/42/08/39/1251420839.db2.gz HFGUANJZLMLOOG-RHSMWYFYSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997636908 1251648362 /nfs/dbraw/zinc/64/83/62/1251648362.db2.gz RPGIEHXDMJZSQK-SOLBZPMBSA-N 2 1 363.506 0.819 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997636908 1251648373 /nfs/dbraw/zinc/64/83/73/1251648373.db2.gz RPGIEHXDMJZSQK-SOLBZPMBSA-N 2 1 363.506 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000997792667 1251709534 /nfs/dbraw/zinc/70/95/34/1251709534.db2.gz JMERZONHRAVLBL-ARFHVFGLSA-N 2 1 364.490 0.350 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984304 1252015201 /nfs/dbraw/zinc/01/52/01/1252015201.db2.gz RPQZVNHYNSETGO-BOSFTKNMSA-N 2 1 364.494 0.193 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984304 1252015206 /nfs/dbraw/zinc/01/52/06/1252015206.db2.gz RPQZVNHYNSETGO-BOSFTKNMSA-N 2 1 364.494 0.193 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC001002082537 1252429910 /nfs/dbraw/zinc/42/99/10/1252429910.db2.gz FFHVOTWGCONBKL-OKZBNKHCSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)O1 ZINC001003137073 1252790216 /nfs/dbraw/zinc/79/02/16/1252790216.db2.gz HQDQUHMOTHKPSS-VNQPRFMTSA-N 2 1 362.478 0.065 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)O1 ZINC001003137073 1252790221 /nfs/dbraw/zinc/79/02/21/1252790221.db2.gz HQDQUHMOTHKPSS-VNQPRFMTSA-N 2 1 362.478 0.065 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760450 1265678529 /nfs/dbraw/zinc/67/85/29/1265678529.db2.gz INEGNRJKBUGBJF-IAGOWNOFSA-N 2 1 355.527 0.278 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC001003301711 1252843899 /nfs/dbraw/zinc/84/38/99/1252843899.db2.gz NNRSBQYOWIQOTH-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)O1 ZINC001003708245 1253074890 /nfs/dbraw/zinc/07/48/90/1253074890.db2.gz MMACVFMPYURGJN-OVYGPGRDSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)O1 ZINC001003708245 1253074895 /nfs/dbraw/zinc/07/48/95/1253074895.db2.gz MMACVFMPYURGJN-OVYGPGRDSA-N 2 1 364.490 0.049 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001329204756 1265712011 /nfs/dbraw/zinc/71/20/11/1265712011.db2.gz LZCCITDEASGRHJ-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001004216495 1253251072 /nfs/dbraw/zinc/25/10/72/1253251072.db2.gz PSIRXCZXNJQQRL-CBZIJGRNSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022039592 1253763024 /nfs/dbraw/zinc/76/30/24/1253763024.db2.gz SSPGFRHDAQGPTN-DLBZAZTESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766484 1253872691 /nfs/dbraw/zinc/87/26/91/1253872691.db2.gz CFXADDXLVPVCRA-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766484 1253872702 /nfs/dbraw/zinc/87/27/02/1253872702.db2.gz CFXADDXLVPVCRA-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766484 1253872706 /nfs/dbraw/zinc/87/27/06/1253872706.db2.gz CFXADDXLVPVCRA-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001029766484 1253872719 /nfs/dbraw/zinc/87/27/19/1253872719.db2.gz CFXADDXLVPVCRA-JFIYKMOQSA-N 2 1 361.490 0.784 20 0 FCADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001034676402 1254001382 /nfs/dbraw/zinc/00/13/82/1254001382.db2.gz YLMPYKVLSDGLSM-KCYZZUKISA-N 2 1 364.494 0.534 20 0 FCADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001034676402 1254001389 /nfs/dbraw/zinc/00/13/89/1254001389.db2.gz YLMPYKVLSDGLSM-KCYZZUKISA-N 2 1 364.494 0.534 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@H]3CCN(C)C3=O)cc2)CC[N@H+]1C ZINC001034818360 1254007421 /nfs/dbraw/zinc/00/74/21/1254007421.db2.gz GBBUGVPETXLWFU-OLMNPRSZSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CCn4cncn4)C3)CC2)CC[N@H+]1C ZINC001035710210 1254058147 /nfs/dbraw/zinc/05/81/47/1254058147.db2.gz KNSKOWYPLXRNEJ-DLBZAZTESA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N4CCC4)C3)CC2)CC[N@@H+]1C ZINC001035710919 1254059046 /nfs/dbraw/zinc/05/90/46/1254059046.db2.gz YZLSBKYZARCEBP-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N4CCC4)C3)CC2)CC[N@H+]1C ZINC001035710919 1254059050 /nfs/dbraw/zinc/05/90/50/1254059050.db2.gz YZLSBKYZARCEBP-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967421 1254088596 /nfs/dbraw/zinc/08/85/96/1254088596.db2.gz RJGXNPWZCZXUNO-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967421 1254088603 /nfs/dbraw/zinc/08/86/03/1254088603.db2.gz RJGXNPWZCZXUNO-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967421 1254088609 /nfs/dbraw/zinc/08/86/09/1254088609.db2.gz RJGXNPWZCZXUNO-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+](CC)CC)CC[N@H+]1C ZINC001061605267 1254189201 /nfs/dbraw/zinc/18/92/01/1254189201.db2.gz RGFYSUXUAPCUEQ-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001061621586 1254194313 /nfs/dbraw/zinc/19/43/13/1254194313.db2.gz ZITKYPAXCWUKHB-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001064545939 1254431384 /nfs/dbraw/zinc/43/13/84/1254431384.db2.gz YSDFYJNEJXOZAV-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001064545939 1254431388 /nfs/dbraw/zinc/43/13/88/1254431388.db2.gz YSDFYJNEJXOZAV-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001064545939 1254431396 /nfs/dbraw/zinc/43/13/96/1254431396.db2.gz YSDFYJNEJXOZAV-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001064545939 1254431406 /nfs/dbraw/zinc/43/14/06/1254431406.db2.gz YSDFYJNEJXOZAV-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001065210890 1254492404 /nfs/dbraw/zinc/49/24/04/1254492404.db2.gz HQPYHMFYCBHUHF-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001065213035 1254496380 /nfs/dbraw/zinc/49/63/80/1254496380.db2.gz ZWUUPWCBVNDOAL-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566560 1254697926 /nfs/dbraw/zinc/69/79/26/1254697926.db2.gz GAKAYJPJBKYATO-QRVBRYPASA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566560 1254697938 /nfs/dbraw/zinc/69/79/38/1254697938.db2.gz GAKAYJPJBKYATO-QRVBRYPASA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566560 1254697950 /nfs/dbraw/zinc/69/79/50/1254697950.db2.gz GAKAYJPJBKYATO-QRVBRYPASA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566560 1254697963 /nfs/dbraw/zinc/69/79/63/1254697963.db2.gz GAKAYJPJBKYATO-QRVBRYPASA-N 2 1 361.486 0.500 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001077582341 1254730260 /nfs/dbraw/zinc/73/02/60/1254730260.db2.gz GXZWYYNDVCNCFZ-USXIJHARSA-N 2 1 365.474 0.933 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001077582341 1254730270 /nfs/dbraw/zinc/73/02/70/1254730270.db2.gz GXZWYYNDVCNCFZ-USXIJHARSA-N 2 1 365.474 0.933 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@H]1O)CC2 ZINC001077583586 1254735162 /nfs/dbraw/zinc/73/51/62/1254735162.db2.gz CTPKBZGWNIRKMO-FVQBIDKESA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@H]1O)CC2 ZINC001077583586 1254735176 /nfs/dbraw/zinc/73/51/76/1254735176.db2.gz CTPKBZGWNIRKMO-FVQBIDKESA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@H]1O)CC2 ZINC001077583587 1254737181 /nfs/dbraw/zinc/73/71/81/1254737181.db2.gz CTPKBZGWNIRKMO-NUEKZKHPSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@H]1O)CC2 ZINC001077583587 1254737192 /nfs/dbraw/zinc/73/71/92/1254737192.db2.gz CTPKBZGWNIRKMO-NUEKZKHPSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001077618929 1254785066 /nfs/dbraw/zinc/78/50/66/1254785066.db2.gz VWPYEGCFCIKWRU-RTBURBONSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001077618929 1254785078 /nfs/dbraw/zinc/78/50/78/1254785078.db2.gz VWPYEGCFCIKWRU-RTBURBONSA-N 2 1 361.486 0.877 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC001077838584 1255038896 /nfs/dbraw/zinc/03/88/96/1255038896.db2.gz DCXXALBZFSNFRF-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC001077838584 1255038904 /nfs/dbraw/zinc/03/89/04/1255038904.db2.gz DCXXALBZFSNFRF-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008658 1255165477 /nfs/dbraw/zinc/16/54/77/1255165477.db2.gz PHUPDAGHVCGEKO-DJIMGWMZSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008658 1255165481 /nfs/dbraw/zinc/16/54/81/1255165481.db2.gz PHUPDAGHVCGEKO-DJIMGWMZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008658 1255165483 /nfs/dbraw/zinc/16/54/83/1255165483.db2.gz PHUPDAGHVCGEKO-DJIMGWMZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078008658 1255165489 /nfs/dbraw/zinc/16/54/89/1255165489.db2.gz PHUPDAGHVCGEKO-DJIMGWMZSA-N 2 1 365.449 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012969 1255169303 /nfs/dbraw/zinc/16/93/03/1255169303.db2.gz KRUIGTJZLCOFLR-RTBURBONSA-N 2 1 366.465 0.992 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012891 1255169405 /nfs/dbraw/zinc/16/94/05/1255169405.db2.gz HESYRBVICFYMIG-QZTJIDSGSA-N 2 1 357.454 0.474 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012891 1255169410 /nfs/dbraw/zinc/16/94/10/1255169410.db2.gz HESYRBVICFYMIG-QZTJIDSGSA-N 2 1 357.454 0.474 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ncccn3)C2)CC[N@@H+]1C ZINC001078403782 1255406992 /nfs/dbraw/zinc/40/69/92/1255406992.db2.gz IPCKIFQQWSTAQT-IXDOHACOSA-N 2 1 361.490 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ncccn3)C2)CC[N@H+]1C ZINC001078403782 1255406996 /nfs/dbraw/zinc/40/69/96/1255406996.db2.gz IPCKIFQQWSTAQT-IXDOHACOSA-N 2 1 361.490 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@@H+]1C ZINC001078403867 1255407665 /nfs/dbraw/zinc/40/76/65/1255407665.db2.gz KTNXIVPQFYOEOI-OWCLPIDISA-N 2 1 364.494 0.551 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC[N@H+]1C ZINC001078403867 1255407668 /nfs/dbraw/zinc/40/76/68/1255407668.db2.gz KTNXIVPQFYOEOI-OWCLPIDISA-N 2 1 364.494 0.551 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001078993355 1255438907 /nfs/dbraw/zinc/43/89/07/1255438907.db2.gz RIYSCGKFWCBNPK-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001078993355 1255438910 /nfs/dbraw/zinc/43/89/10/1255438910.db2.gz RIYSCGKFWCBNPK-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079258217 1255491022 /nfs/dbraw/zinc/49/10/22/1255491022.db2.gz SRUOJLIBWKDAJZ-XLAORIBOSA-N 2 1 365.518 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717334 1255583412 /nfs/dbraw/zinc/58/34/12/1255583412.db2.gz CMFIDZOWJHDRAI-JFIYKMOQSA-N 2 1 363.506 0.921 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717428 1255584693 /nfs/dbraw/zinc/58/46/93/1255584693.db2.gz IHLLWJJLVDMSTO-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717428 1255584697 /nfs/dbraw/zinc/58/46/97/1255584697.db2.gz IHLLWJJLVDMSTO-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC001079808448 1255613863 /nfs/dbraw/zinc/61/38/63/1255613863.db2.gz RKJYPPFIZOHHNH-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC001079808448 1255613868 /nfs/dbraw/zinc/61/38/68/1255613868.db2.gz RKJYPPFIZOHHNH-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001079846311 1255632267 /nfs/dbraw/zinc/63/22/67/1255632267.db2.gz IRYXRQQJEFWIAB-RBSFLKMASA-N 2 1 360.462 0.222 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001079846311 1255632271 /nfs/dbraw/zinc/63/22/71/1255632271.db2.gz IRYXRQQJEFWIAB-RBSFLKMASA-N 2 1 360.462 0.222 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188624 1255778913 /nfs/dbraw/zinc/77/89/13/1255778913.db2.gz NEALWJNKBXGGIM-BJZITVGISA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188624 1255778918 /nfs/dbraw/zinc/77/89/18/1255778918.db2.gz NEALWJNKBXGGIM-BJZITVGISA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324814 1255841917 /nfs/dbraw/zinc/84/19/17/1255841917.db2.gz DVCMMLZBPZXYQD-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324814 1255841925 /nfs/dbraw/zinc/84/19/25/1255841925.db2.gz DVCMMLZBPZXYQD-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324814 1255841937 /nfs/dbraw/zinc/84/19/37/1255841937.db2.gz DVCMMLZBPZXYQD-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001080324814 1255841950 /nfs/dbraw/zinc/84/19/50/1255841950.db2.gz DVCMMLZBPZXYQD-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080449679 1255894900 /nfs/dbraw/zinc/89/49/00/1255894900.db2.gz UZADFDBVTYNNCU-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080449679 1255894908 /nfs/dbraw/zinc/89/49/08/1255894908.db2.gz UZADFDBVTYNNCU-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080449679 1255894913 /nfs/dbraw/zinc/89/49/13/1255894913.db2.gz UZADFDBVTYNNCU-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP CNC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001080936358 1256102918 /nfs/dbraw/zinc/10/29/18/1256102918.db2.gz UYONRWTXTYAITO-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001080936358 1256102923 /nfs/dbraw/zinc/10/29/23/1256102923.db2.gz UYONRWTXTYAITO-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001080936358 1256102932 /nfs/dbraw/zinc/10/29/32/1256102932.db2.gz UYONRWTXTYAITO-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081231202 1256212661 /nfs/dbraw/zinc/21/26/61/1256212661.db2.gz DDHIYVIRWRAJFB-RCCFBDPRSA-N 2 1 358.486 0.930 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668787 1256329628 /nfs/dbraw/zinc/32/96/28/1256329628.db2.gz VGUQIJGPQHIBQK-IAGOWNOFSA-N 2 1 363.506 0.963 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668787 1256329632 /nfs/dbraw/zinc/32/96/32/1256329632.db2.gz VGUQIJGPQHIBQK-IAGOWNOFSA-N 2 1 363.506 0.963 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948418 1256468948 /nfs/dbraw/zinc/46/89/48/1256468948.db2.gz YGUCRIUBJQIWLU-QZTJIDSGSA-N 2 1 368.441 0.740 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095963 1256532385 /nfs/dbraw/zinc/53/23/85/1256532385.db2.gz RBKKABMUMBVGGT-HZPDHXFCSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095963 1256532392 /nfs/dbraw/zinc/53/23/92/1256532392.db2.gz RBKKABMUMBVGGT-HZPDHXFCSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082327081 1256667641 /nfs/dbraw/zinc/66/76/41/1256667641.db2.gz BPKKXRMKDKLKNY-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082327081 1256667646 /nfs/dbraw/zinc/66/76/46/1256667646.db2.gz BPKKXRMKDKLKNY-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082327081 1256667651 /nfs/dbraw/zinc/66/76/51/1256667651.db2.gz BPKKXRMKDKLKNY-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328999 1256671301 /nfs/dbraw/zinc/67/13/01/1256671301.db2.gz WJPXEIXKGXPCDJ-QZTJIDSGSA-N 2 1 359.470 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082515344 1256800933 /nfs/dbraw/zinc/80/09/33/1256800933.db2.gz KCRFIPKGNBUPSV-FVQBIDKESA-N 2 1 364.469 0.526 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)n1C ZINC001330592874 1266066578 /nfs/dbraw/zinc/06/65/78/1266066578.db2.gz IBZHYGMGNSGWCM-VIFPVBQESA-N 2 1 368.392 0.480 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557932 1256853362 /nfs/dbraw/zinc/85/33/62/1256853362.db2.gz PKJWONIISDFTPH-FVQBIDKESA-N 2 1 360.462 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082558550 1256856004 /nfs/dbraw/zinc/85/60/04/1256856004.db2.gz XCSNBENGBPBGGY-NXHRZFHOSA-N 2 1 356.474 0.845 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082558464 1256856763 /nfs/dbraw/zinc/85/67/63/1256856763.db2.gz RTGAOXMOIZJZPC-OIISXLGYSA-N 2 1 359.478 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082562055 1256861109 /nfs/dbraw/zinc/86/11/09/1256861109.db2.gz KAEYIFGMHLSTGH-UKRRQHHQSA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082562055 1256861118 /nfs/dbraw/zinc/86/11/18/1256861118.db2.gz KAEYIFGMHLSTGH-UKRRQHHQSA-N 2 1 363.510 0.849 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590256 1256903965 /nfs/dbraw/zinc/90/39/65/1256903965.db2.gz LSCYSNFAMRBITB-BNEJOLLZSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590256 1256903971 /nfs/dbraw/zinc/90/39/71/1256903971.db2.gz LSCYSNFAMRBITB-BNEJOLLZSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001082646366 1256950600 /nfs/dbraw/zinc/95/06/00/1256950600.db2.gz PCBYUUUEHSSNTD-CXAGYDPISA-N 2 1 355.442 0.927 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)CC2 ZINC001082708969 1257002106 /nfs/dbraw/zinc/00/21/06/1257002106.db2.gz ZXNAXVVQORDEQA-HACGYAERSA-N 2 1 357.462 0.519 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082740907 1257020636 /nfs/dbraw/zinc/02/06/36/1257020636.db2.gz JXWBLSNXNYFHIF-QLFBSQMISA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082740907 1257020644 /nfs/dbraw/zinc/02/06/44/1257020644.db2.gz JXWBLSNXNYFHIF-QLFBSQMISA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082742428 1257023339 /nfs/dbraw/zinc/02/33/39/1257023339.db2.gz FJCMGWCACSANFF-SPYBWZPUSA-N 2 1 368.497 0.868 20 0 FCADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001082798219 1257058279 /nfs/dbraw/zinc/05/82/79/1257058279.db2.gz IDRQYZHJXUWTFF-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001082822189 1257081221 /nfs/dbraw/zinc/08/12/21/1257081221.db2.gz PIAHCLKMNMTVQR-HZPDHXFCSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082859925 1257112918 /nfs/dbraw/zinc/11/29/18/1257112918.db2.gz ODJXZCAMBFMJBP-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082859925 1257112921 /nfs/dbraw/zinc/11/29/21/1257112921.db2.gz ODJXZCAMBFMJBP-IJEWVQPXSA-N 2 1 360.506 0.971 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082935105 1257156279 /nfs/dbraw/zinc/15/62/79/1257156279.db2.gz KMTPBHMHYOIPTC-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082935105 1257156280 /nfs/dbraw/zinc/15/62/80/1257156280.db2.gz KMTPBHMHYOIPTC-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)cn1 ZINC001083106100 1257320901 /nfs/dbraw/zinc/32/09/01/1257320901.db2.gz KFIIFZKLPHWORT-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)cn1 ZINC001083106100 1257320909 /nfs/dbraw/zinc/32/09/09/1257320909.db2.gz KFIIFZKLPHWORT-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)cn1 ZINC001083106100 1257320919 /nfs/dbraw/zinc/32/09/19/1257320919.db2.gz KFIIFZKLPHWORT-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)cn1 ZINC001083106100 1257320930 /nfs/dbraw/zinc/32/09/30/1257320930.db2.gz KFIIFZKLPHWORT-ZWKOTPCHSA-N 2 1 361.490 0.359 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2O)n1 ZINC001083470277 1257461015 /nfs/dbraw/zinc/46/10/15/1257461015.db2.gz ISIAFWIXVTVYHO-MSOLQXFVSA-N 2 1 363.506 0.800 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083783160 1257529918 /nfs/dbraw/zinc/52/99/18/1257529918.db2.gz CNBOJKLSGRFKOE-QRQLOZEOSA-N 2 1 361.486 0.602 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)cn1 ZINC001083851003 1257608898 /nfs/dbraw/zinc/60/88/98/1257608898.db2.gz GRDZDTQYZYYOJB-MSOLQXFVSA-N 2 1 361.490 0.720 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC001521504490 1266128205 /nfs/dbraw/zinc/12/82/05/1266128205.db2.gz VVQFAMHPKMOHHW-UHFFFAOYSA-N 2 1 371.485 0.587 20 0 FCADMP CC(C)OCCN1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001331030610 1266132680 /nfs/dbraw/zinc/13/26/80/1266132680.db2.gz MKMPZOAHVULJSO-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937011 1257722620 /nfs/dbraw/zinc/72/26/20/1257722620.db2.gz HQEURGOJNKEGES-MOPGFXCFSA-N 2 1 365.518 0.696 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053956 1257864415 /nfs/dbraw/zinc/86/44/15/1257864415.db2.gz QNALSHOTSIDRSV-UHOSZYNNSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053956 1257864420 /nfs/dbraw/zinc/86/44/20/1257864420.db2.gz QNALSHOTSIDRSV-UHOSZYNNSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2O)C1 ZINC001084053956 1257864426 /nfs/dbraw/zinc/86/44/26/1257864426.db2.gz QNALSHOTSIDRSV-UHOSZYNNSA-N 2 1 369.469 0.485 20 0 FCADMP Cc1cc(C)cc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056788 1257868450 /nfs/dbraw/zinc/86/84/50/1257868450.db2.gz NRKLPDHDUMFTMG-UHOSZYNNSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056788 1257868460 /nfs/dbraw/zinc/86/84/60/1257868460.db2.gz NRKLPDHDUMFTMG-UHOSZYNNSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056788 1257868466 /nfs/dbraw/zinc/86/84/66/1257868466.db2.gz NRKLPDHDUMFTMG-UHOSZYNNSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1F ZINC001331120355 1266151762 /nfs/dbraw/zinc/15/17/62/1266151762.db2.gz TTXIJNZTMGNODM-BXUZGUMPSA-N 2 1 359.405 0.884 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347223 1258040464 /nfs/dbraw/zinc/04/04/64/1258040464.db2.gz KMRHITPACAQNNW-BHIYHBOVSA-N 2 1 357.502 0.837 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21)C1CC1 ZINC001084406074 1258084113 /nfs/dbraw/zinc/08/41/13/1258084113.db2.gz FEZFKBKYGYXOGY-ZHALLVOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21)C1CC1 ZINC001084406074 1258084120 /nfs/dbraw/zinc/08/41/20/1258084120.db2.gz FEZFKBKYGYXOGY-ZHALLVOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522272 1258149753 /nfs/dbraw/zinc/14/97/53/1258149753.db2.gz TVADQLQDKMSCDD-CKEIUWERSA-N 2 1 355.442 0.957 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522272 1258149756 /nfs/dbraw/zinc/14/97/56/1258149756.db2.gz TVADQLQDKMSCDD-CKEIUWERSA-N 2 1 355.442 0.957 20 0 FCADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3ccccn3)C[C@H]21 ZINC001084532827 1258156775 /nfs/dbraw/zinc/15/67/75/1258156775.db2.gz QLTUAQDYRNXZPH-ZIQYQJLISA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3ccccn3)C[C@H]21 ZINC001084532827 1258156779 /nfs/dbraw/zinc/15/67/79/1258156779.db2.gz QLTUAQDYRNXZPH-ZIQYQJLISA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]21 ZINC001084532827 1258156784 /nfs/dbraw/zinc/15/67/84/1258156784.db2.gz QLTUAQDYRNXZPH-ZIQYQJLISA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001084532827 1258156787 /nfs/dbraw/zinc/15/67/87/1258156787.db2.gz QLTUAQDYRNXZPH-ZIQYQJLISA-N 2 1 368.481 0.978 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001331199972 1266170257 /nfs/dbraw/zinc/17/02/57/1266170257.db2.gz GSIWDFITGUERRB-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001084702320 1258251056 /nfs/dbraw/zinc/25/10/56/1258251056.db2.gz RTVDSNVTLCUOTG-IAGOWNOFSA-N 2 1 363.506 0.276 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC001331306578 1266188394 /nfs/dbraw/zinc/18/83/94/1266188394.db2.gz WFOCDSPNOZYGRH-YJBOKZPZSA-N 2 1 374.485 0.578 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001085025373 1258528983 /nfs/dbraw/zinc/52/89/83/1258528983.db2.gz XBMQBUQQMVXDMF-IXDOHACOSA-N 2 1 365.522 0.521 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001085039964 1258541904 /nfs/dbraw/zinc/54/19/04/1258541904.db2.gz BASSPBXLWWSSHU-YRXWBPOGSA-N 2 1 370.497 0.740 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(N)=O)[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001085039964 1258541910 /nfs/dbraw/zinc/54/19/10/1258541910.db2.gz BASSPBXLWWSSHU-YRXWBPOGSA-N 2 1 370.497 0.740 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001085039964 1258541916 /nfs/dbraw/zinc/54/19/16/1258541916.db2.gz BASSPBXLWWSSHU-YRXWBPOGSA-N 2 1 370.497 0.740 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001085039964 1258541924 /nfs/dbraw/zinc/54/19/24/1258541924.db2.gz BASSPBXLWWSSHU-YRXWBPOGSA-N 2 1 370.497 0.740 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075200 1258569014 /nfs/dbraw/zinc/56/90/14/1258569014.db2.gz VDKOUWBANKBQHP-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075200 1258569021 /nfs/dbraw/zinc/56/90/21/1258569021.db2.gz VDKOUWBANKBQHP-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075200 1258569024 /nfs/dbraw/zinc/56/90/24/1258569024.db2.gz VDKOUWBANKBQHP-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076239 1258572072 /nfs/dbraw/zinc/57/20/72/1258572072.db2.gz TYXDLIJEEVLGGI-AEFFLSMTSA-N 2 1 357.502 0.981 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001085093711 1258587496 /nfs/dbraw/zinc/58/74/96/1258587496.db2.gz XUTDPKTYSOBMOU-KURKYZTESA-N 2 1 361.490 0.263 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092977 1258587523 /nfs/dbraw/zinc/58/75/23/1258587523.db2.gz YRXCWINFAJGRRU-RYRKJORJSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092977 1258587528 /nfs/dbraw/zinc/58/75/28/1258587528.db2.gz YRXCWINFAJGRRU-RYRKJORJSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092977 1258587535 /nfs/dbraw/zinc/58/75/35/1258587535.db2.gz YRXCWINFAJGRRU-RYRKJORJSA-N 2 1 360.506 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001085093976 1258587795 /nfs/dbraw/zinc/58/77/95/1258587795.db2.gz PBOWTCQHNLMAEK-SJORKVTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001085093976 1258587798 /nfs/dbraw/zinc/58/77/98/1258587798.db2.gz PBOWTCQHNLMAEK-SJORKVTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092926 1258588082 /nfs/dbraw/zinc/58/80/82/1258588082.db2.gz WEQHNQBQCVQNAB-KURKYZTESA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092926 1258588084 /nfs/dbraw/zinc/58/80/84/1258588084.db2.gz WEQHNQBQCVQNAB-KURKYZTESA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092926 1258588090 /nfs/dbraw/zinc/58/80/90/1258588090.db2.gz WEQHNQBQCVQNAB-KURKYZTESA-N 2 1 360.506 0.769 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)cn1 ZINC001088140551 1258654094 /nfs/dbraw/zinc/65/40/94/1258654094.db2.gz RPDGWFGEVCWMBF-MSOLQXFVSA-N 2 1 361.490 0.423 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)cn1 ZINC001088140551 1258654103 /nfs/dbraw/zinc/65/41/03/1258654103.db2.gz RPDGWFGEVCWMBF-MSOLQXFVSA-N 2 1 361.490 0.423 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)CC[C@@H]2C1 ZINC001088140409 1258654420 /nfs/dbraw/zinc/65/44/20/1258654420.db2.gz KKAIRHHLIADQOB-QRVBRYPASA-N 2 1 365.518 0.916 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)CC[C@@H]2C1 ZINC001088140409 1258654425 /nfs/dbraw/zinc/65/44/25/1258654425.db2.gz KKAIRHHLIADQOB-QRVBRYPASA-N 2 1 365.518 0.916 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088173059 1258692362 /nfs/dbraw/zinc/69/23/62/1258692362.db2.gz QDLMRIXZOKWTCC-VKJFTORMSA-N 2 1 371.485 0.772 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199808 1258722224 /nfs/dbraw/zinc/72/22/24/1258722224.db2.gz CXTRDIJELMCBPC-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199808 1258722227 /nfs/dbraw/zinc/72/22/27/1258722227.db2.gz CXTRDIJELMCBPC-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199808 1258722233 /nfs/dbraw/zinc/72/22/33/1258722233.db2.gz CXTRDIJELMCBPC-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088202126 1258724900 /nfs/dbraw/zinc/72/49/00/1258724900.db2.gz LRCVISJIZUSWNT-MSOLQXFVSA-N 2 1 371.489 0.880 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088202126 1258724904 /nfs/dbraw/zinc/72/49/04/1258724904.db2.gz LRCVISJIZUSWNT-MSOLQXFVSA-N 2 1 371.489 0.880 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001331416956 1266213019 /nfs/dbraw/zinc/21/30/19/1266213019.db2.gz XUNCPXCZSMDNQS-OAHLLOKOSA-N 2 1 362.474 0.614 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720982 1258819520 /nfs/dbraw/zinc/81/95/20/1258819520.db2.gz BGUDYYKYJRFQBG-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720982 1258819525 /nfs/dbraw/zinc/81/95/25/1258819525.db2.gz BGUDYYKYJRFQBG-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773088 1258840428 /nfs/dbraw/zinc/84/04/28/1258840428.db2.gz JSIYZHLKMVKCKD-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782054 1258843939 /nfs/dbraw/zinc/84/39/39/1258843939.db2.gz CRCKCPDNFVEOPN-UNEWFSDZSA-N 2 1 355.442 0.863 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331433014 1266215801 /nfs/dbraw/zinc/21/58/01/1266215801.db2.gz YGHHSUYIDCIQQC-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP CCN(C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001100442655 1258910884 /nfs/dbraw/zinc/91/08/84/1258910884.db2.gz PXKZWAOPHHMSSP-ARAOSMHQSA-N 2 1 366.506 0.201 20 0 FCADMP CCN(C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001100442655 1258910890 /nfs/dbraw/zinc/91/08/90/1258910890.db2.gz PXKZWAOPHHMSSP-ARAOSMHQSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106578047 1258926433 /nfs/dbraw/zinc/92/64/33/1258926433.db2.gz YFPVMXYYQVYLKP-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106578047 1258926438 /nfs/dbraw/zinc/92/64/38/1258926438.db2.gz YFPVMXYYQVYLKP-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)C2 ZINC001106667041 1258936679 /nfs/dbraw/zinc/93/66/79/1258936679.db2.gz FVSDSFIXKHWQSX-DJIMGWMZSA-N 2 1 371.489 0.730 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C[NH2+]CC(N)=O ZINC001106684833 1258941531 /nfs/dbraw/zinc/94/15/31/1258941531.db2.gz PAPPQPKKFSKWMD-DDBAPUKQSA-N 2 1 358.486 0.501 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106729349 1258948875 /nfs/dbraw/zinc/94/88/75/1258948875.db2.gz OJSSVWCHILMJTQ-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765611 1258957644 /nfs/dbraw/zinc/95/76/44/1258957644.db2.gz LNDNUOZHDVVCQX-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106766735 1258958355 /nfs/dbraw/zinc/95/83/55/1258958355.db2.gz RINNFYQFISBSHC-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765775 1258958469 /nfs/dbraw/zinc/95/84/69/1258958469.db2.gz UAHRJJGKUFVQBJ-KZNAEPCWSA-N 2 1 371.522 0.180 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106874398 1258984878 /nfs/dbraw/zinc/98/48/78/1258984878.db2.gz GNRXFRLEINAADC-QLFBSQMISA-N 2 1 363.462 0.639 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001106905146 1258992713 /nfs/dbraw/zinc/99/27/13/1258992713.db2.gz CGBCRGULIAQUBA-HUUCEWRRSA-N 2 1 363.510 0.924 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106981479 1259010183 /nfs/dbraw/zinc/01/01/83/1259010183.db2.gz QAECDWNNEVXKGR-QLFBSQMISA-N 2 1 360.462 0.051 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)on1 ZINC001107038740 1259022378 /nfs/dbraw/zinc/02/23/78/1259022378.db2.gz FQSCMTWDZPCTJW-UKRRQHHQSA-N 2 1 365.478 0.946 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001107038994 1259023053 /nfs/dbraw/zinc/02/30/53/1259023053.db2.gz KAJRDZBXGZXGGS-HUUCEWRRSA-N 2 1 364.494 0.333 20 0 FCADMP C[C@@H](O)CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172799 1259036439 /nfs/dbraw/zinc/03/64/39/1259036439.db2.gz MGRSYXCSECXYCF-CKEIUWERSA-N 2 1 364.494 0.252 20 0 FCADMP C[C@@H](O)CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172799 1259036447 /nfs/dbraw/zinc/03/64/47/1259036447.db2.gz MGRSYXCSECXYCF-CKEIUWERSA-N 2 1 364.494 0.252 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107462136 1259095680 /nfs/dbraw/zinc/09/56/80/1259095680.db2.gz UVKBKDJLLNJMEK-ZHALLVOQSA-N 2 1 365.518 0.983 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107473016 1259098168 /nfs/dbraw/zinc/09/81/68/1259098168.db2.gz WIGAPQMXQRVJKC-VQIMIIECSA-N 2 1 359.474 0.785 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107473016 1259098175 /nfs/dbraw/zinc/09/81/75/1259098175.db2.gz WIGAPQMXQRVJKC-VQIMIIECSA-N 2 1 359.474 0.785 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107579312 1259123334 /nfs/dbraw/zinc/12/33/34/1259123334.db2.gz CDVAHZCXAWZPCL-IEBWSBKVSA-N 2 1 369.506 0.078 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107579312 1259123338 /nfs/dbraw/zinc/12/33/38/1259123338.db2.gz CDVAHZCXAWZPCL-IEBWSBKVSA-N 2 1 369.506 0.078 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001127644098 1259183506 /nfs/dbraw/zinc/18/35/06/1259183506.db2.gz UXDQXZOZPXDGEJ-MLGOLLRUSA-N 2 1 368.428 0.627 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2c(C)nn(C)c2C)CC[N@H+]1C ZINC001127706652 1259183930 /nfs/dbraw/zinc/18/39/30/1259183930.db2.gz PTPIEDXRFQBGCB-LSDHHAIUSA-N 2 1 364.494 0.412 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC001127653064 1259184167 /nfs/dbraw/zinc/18/41/67/1259184167.db2.gz KDYNIDCVLWUGSI-HYVNUMGLSA-N 2 1 367.465 0.749 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001331576421 1266240486 /nfs/dbraw/zinc/24/04/86/1266240486.db2.gz ZSGSKFMYLRVJEO-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029319 1259292389 /nfs/dbraw/zinc/29/23/89/1259292389.db2.gz BFYUZHUFDSGCSU-XHSDSOJGSA-N 2 1 370.473 0.336 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029319 1259292397 /nfs/dbraw/zinc/29/23/97/1259292397.db2.gz BFYUZHUFDSGCSU-XHSDSOJGSA-N 2 1 370.473 0.336 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054697 1259301211 /nfs/dbraw/zinc/30/12/11/1259301211.db2.gz KGXQRNJJNNFHRZ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054697 1259301219 /nfs/dbraw/zinc/30/12/19/1259301219.db2.gz KGXQRNJJNNFHRZ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054697 1259301226 /nfs/dbraw/zinc/30/12/26/1259301226.db2.gz KGXQRNJJNNFHRZ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129144196 1259327252 /nfs/dbraw/zinc/32/72/52/1259327252.db2.gz KGERYKIBNAGEOX-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220480 1259347815 /nfs/dbraw/zinc/34/78/15/1259347815.db2.gz XHBGUZSWFHSRTK-OIISXLGYSA-N 2 1 364.494 0.122 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258382 1259356743 /nfs/dbraw/zinc/35/67/43/1259356743.db2.gz YAUPLJHBLNNMGC-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276590 1259364325 /nfs/dbraw/zinc/36/43/25/1259364325.db2.gz MTENNYVGEYZVIE-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276590 1259364336 /nfs/dbraw/zinc/36/43/36/1259364336.db2.gz MTENNYVGEYZVIE-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276590 1259364341 /nfs/dbraw/zinc/36/43/41/1259364341.db2.gz MTENNYVGEYZVIE-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249303 1259376131 /nfs/dbraw/zinc/37/61/31/1259376131.db2.gz WSMYANKLGRLUOA-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001130249303 1259376136 /nfs/dbraw/zinc/37/61/36/1259376136.db2.gz WSMYANKLGRLUOA-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001130249303 1259376142 /nfs/dbraw/zinc/37/61/42/1259376142.db2.gz WSMYANKLGRLUOA-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249303 1259376144 /nfs/dbraw/zinc/37/61/44/1259376144.db2.gz WSMYANKLGRLUOA-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249303 1259376149 /nfs/dbraw/zinc/37/61/49/1259376149.db2.gz WSMYANKLGRLUOA-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537149 1259416219 /nfs/dbraw/zinc/41/62/19/1259416219.db2.gz MIMTYANMMVVATL-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653775 1266258710 /nfs/dbraw/zinc/25/87/10/1266258710.db2.gz UTVUDXOFAQTPLU-DKIMLUQUSA-N 2 1 358.486 0.724 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416487 1259496472 /nfs/dbraw/zinc/49/64/72/1259496472.db2.gz MGXHPVFKEJPXQI-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416487 1259496477 /nfs/dbraw/zinc/49/64/77/1259496477.db2.gz MGXHPVFKEJPXQI-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416487 1259496483 /nfs/dbraw/zinc/49/64/83/1259496483.db2.gz MGXHPVFKEJPXQI-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416487 1259496489 /nfs/dbraw/zinc/49/64/89/1259496489.db2.gz MGXHPVFKEJPXQI-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212436644 1259505513 /nfs/dbraw/zinc/50/55/13/1259505513.db2.gz AYRMDHXIPVCRDL-KURKYZTESA-N 2 1 365.522 0.847 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212436644 1259505515 /nfs/dbraw/zinc/50/55/15/1259505515.db2.gz AYRMDHXIPVCRDL-KURKYZTESA-N 2 1 365.522 0.847 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212452461 1259510520 /nfs/dbraw/zinc/51/05/20/1259510520.db2.gz DGIHZYIEAMJTPK-IAGOWNOFSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495627 1259526268 /nfs/dbraw/zinc/52/62/68/1259526268.db2.gz LBTMREKFOIHZII-KBAYOESNSA-N 2 1 362.474 0.760 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCNC(=O)NC(C)C)CC[N@@H+]1C ZINC001234403664 1259560281 /nfs/dbraw/zinc/56/02/81/1259560281.db2.gz WXZZHPRKGVWUPE-IXDOHACOSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCNC(=O)NC(C)C)CC[N@H+]1C ZINC001234403664 1259560289 /nfs/dbraw/zinc/56/02/89/1259560289.db2.gz WXZZHPRKGVWUPE-IXDOHACOSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCNC(=O)NC(C)C)CC[NH+]1C ZINC001234403664 1259560293 /nfs/dbraw/zinc/56/02/93/1259560293.db2.gz WXZZHPRKGVWUPE-IXDOHACOSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCNC(=O)NC(C)C)CC[NH+]1C ZINC001234403664 1259560299 /nfs/dbraw/zinc/56/02/99/1259560299.db2.gz WXZZHPRKGVWUPE-IXDOHACOSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCNC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001234403106 1259560353 /nfs/dbraw/zinc/56/03/53/1259560353.db2.gz QHEQPCDOLMGYAT-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001234403106 1259560358 /nfs/dbraw/zinc/56/03/58/1259560358.db2.gz QHEQPCDOLMGYAT-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001234403106 1259560361 /nfs/dbraw/zinc/56/03/61/1259560361.db2.gz QHEQPCDOLMGYAT-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001234403106 1259560367 /nfs/dbraw/zinc/56/03/67/1259560367.db2.gz QHEQPCDOLMGYAT-OWCLPIDISA-N 2 1 367.538 0.957 20 0 FCADMP O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC21CC[NH+](CCCO)CC1 ZINC001235488266 1259574132 /nfs/dbraw/zinc/57/41/32/1259574132.db2.gz BEXOCZLMSJCSQH-FQEVSTJZSA-N 2 1 358.486 0.868 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccccn3)C2)O1 ZINC001235591926 1259578925 /nfs/dbraw/zinc/57/89/25/1259578925.db2.gz NXBIAUZKFFQQGX-SQGPQFPESA-N 2 1 374.485 0.903 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccccn3)C2)O1 ZINC001235591926 1259578931 /nfs/dbraw/zinc/57/89/31/1259578931.db2.gz NXBIAUZKFFQQGX-SQGPQFPESA-N 2 1 374.485 0.903 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ncccc3C(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC001235912371 1259583763 /nfs/dbraw/zinc/58/37/63/1259583763.db2.gz BRGLURKWXPHGNN-UHFFFAOYSA-N 2 1 367.457 0.336 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3nccc(N4CCC([NH3+])CC4)n3)cn2)CC1 ZINC001235915630 1259585214 /nfs/dbraw/zinc/58/52/14/1259585214.db2.gz YSDWBWJNRJXAMC-UHFFFAOYSA-N 2 1 354.462 0.613 20 0 FCADMP CCOC(=O)[C@]12C[N@H+](Cc3ccnc(N4CCOCC4)c3)C[C@H]1C[NH2+]CC2 ZINC001236037972 1259587437 /nfs/dbraw/zinc/58/74/37/1259587437.db2.gz DLOOKFIIFBVWPZ-YLJYHZDGSA-N 2 1 374.485 0.893 20 0 FCADMP CCOC(=O)[C@]12C[N@@H+](Cc3ccnc(N4CCOCC4)c3)C[C@H]1C[NH2+]CC2 ZINC001236037972 1259587439 /nfs/dbraw/zinc/58/74/39/1259587439.db2.gz DLOOKFIIFBVWPZ-YLJYHZDGSA-N 2 1 374.485 0.893 20 0 FCADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCN(CC(N)=O)C(C)(C)C3)c2)CC1 ZINC001236888414 1259593033 /nfs/dbraw/zinc/59/30/33/1259593033.db2.gz DVAKRGRVTUAVBN-UHFFFAOYSA-N 2 1 359.518 0.820 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C(=O)NCC[NH3+])c2)CCC12C[NH2+]C2 ZINC001237430192 1259598057 /nfs/dbraw/zinc/59/80/57/1259598057.db2.gz JUBSCNASAJVBHB-QGZVFWFLSA-N 3 1 374.485 0.350 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(-c3cnc(N4CC[NH2+]CC4)nc3)cc2)CC1 ZINC001241895664 1259631573 /nfs/dbraw/zinc/63/15/73/1259631573.db2.gz CGLACJJHCLRODN-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP COC(=O)[C@@H]([NH3+])Cc1ccc(OC)c(-c2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001241896770 1259632485 /nfs/dbraw/zinc/63/24/85/1259632485.db2.gz WTPPAKIJLSYXSX-INIZCTEOSA-N 2 1 371.441 0.605 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001246005836 1259643487 /nfs/dbraw/zinc/64/34/87/1259643487.db2.gz POGQXHBJSWYPDG-GBESFXJTSA-N 2 1 368.472 0.611 20 0 FCADMP O[C@@H](C[NH+]1CCC2(CC1)NCCc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246062133 1259645706 /nfs/dbraw/zinc/64/57/06/1259645706.db2.gz BXMZKLLSYLTIDL-GOSISDBHSA-N 2 1 359.514 0.989 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@@]1(O)CCC[NH2+]C1)C2 ZINC001246037378 1259647047 /nfs/dbraw/zinc/64/70/47/1259647047.db2.gz SEYYOBCCIWMQQD-PWIZWCRZSA-N 2 1 365.518 0.746 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@@]1(O)CCCNC1)C2 ZINC001246037378 1259647058 /nfs/dbraw/zinc/64/70/58/1259647058.db2.gz SEYYOBCCIWMQQD-PWIZWCRZSA-N 2 1 365.518 0.746 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@@]1(O)CCCNC1)C2 ZINC001246037378 1259647069 /nfs/dbraw/zinc/64/70/69/1259647069.db2.gz SEYYOBCCIWMQQD-PWIZWCRZSA-N 2 1 365.518 0.746 20 0 FCADMP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246156745 1259650630 /nfs/dbraw/zinc/65/06/30/1259650630.db2.gz LLLSOQVGEOYOCT-IRXDYDNUSA-N 2 1 358.486 0.670 20 0 FCADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)C[NH2+]1 ZINC001246156088 1259650729 /nfs/dbraw/zinc/65/07/29/1259650729.db2.gz HISHTCSXIGWNEY-QRQLOZEOSA-N 2 1 374.529 0.768 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@@H](CCC[NH3+])C(=O)OC)CC1 ZINC001246401975 1259652937 /nfs/dbraw/zinc/65/29/37/1259652937.db2.gz QXRZYQUPSAWNKZ-AWEZNQCLSA-N 2 1 372.462 0.912 20 0 FCADMP COc1ccc(CN2CC[C@@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641966 1259656138 /nfs/dbraw/zinc/65/61/38/1259656138.db2.gz KHYAIRSWNSINAK-YLJYHZDGSA-N 2 1 358.486 0.824 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597374 1259657756 /nfs/dbraw/zinc/65/77/56/1259657756.db2.gz UNBGNXCRXDDVDH-RCJHGTSTSA-N 2 1 367.490 0.535 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246643433 1259657889 /nfs/dbraw/zinc/65/78/89/1259657889.db2.gz GYVXRWAMVHCNGZ-KBPBESRZSA-N 2 1 362.478 0.245 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)CC1 ZINC001246680341 1259658871 /nfs/dbraw/zinc/65/88/71/1259658871.db2.gz VVAPBVCCTAFHIZ-IRXDYDNUSA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679934 1259660148 /nfs/dbraw/zinc/66/01/48/1259660148.db2.gz RDKCEXWIVPOJMB-WMZOPIPTSA-N 3 1 364.534 0.820 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679934 1259660156 /nfs/dbraw/zinc/66/01/56/1259660156.db2.gz RDKCEXWIVPOJMB-WMZOPIPTSA-N 3 1 364.534 0.820 20 0 FCADMP O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246718758 1259669194 /nfs/dbraw/zinc/66/91/94/1259669194.db2.gz ZLWAQPLKZHDANE-AHCXZYCDSA-N 2 1 374.485 0.184 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001246727067 1259669909 /nfs/dbraw/zinc/66/99/09/1259669909.db2.gz GTMZWKFGQGMQEC-IFORVRASSA-N 2 1 357.458 0.721 20 0 FCADMP O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246726048 1259671288 /nfs/dbraw/zinc/67/12/88/1259671288.db2.gz PBQAFOOPVIOLQG-NLWGTHIKSA-N 2 1 358.486 0.973 20 0 FCADMP O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246726048 1259671296 /nfs/dbraw/zinc/67/12/96/1259671296.db2.gz PBQAFOOPVIOLQG-NLWGTHIKSA-N 2 1 358.486 0.973 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733009 1259672609 /nfs/dbraw/zinc/67/26/09/1259672609.db2.gz CPGWSPWJAUNENH-YKTARERQSA-N 2 1 358.490 0.634 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)c1 ZINC001246735562 1259673552 /nfs/dbraw/zinc/67/35/52/1259673552.db2.gz UPIMBCFDTJZWJY-GUDVDZBRSA-N 2 1 357.502 0.451 20 0 FCADMP CNC(=O)[C@]12C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1N(c1ncccn1)CCC2 ZINC001246742142 1259674280 /nfs/dbraw/zinc/67/42/80/1259674280.db2.gz ZPWHIYKAKXYCOV-RULLSCPISA-N 2 1 370.501 0.776 20 0 FCADMP O=C(c1ccccc1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1 ZINC001246746961 1259678009 /nfs/dbraw/zinc/67/80/09/1259678009.db2.gz QSRDNFYBXHRXAU-IPMKNSEASA-N 2 1 370.497 0.553 20 0 FCADMP O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753730 1259679503 /nfs/dbraw/zinc/67/95/03/1259679503.db2.gz CNRYYCJDKWCYOT-QUCCMNQESA-N 2 1 369.513 0.990 20 0 FCADMP Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754514 1259681368 /nfs/dbraw/zinc/68/13/68/1259681368.db2.gz QXUQWAJYZMHQFR-QSPRXWTASA-N 2 1 362.449 0.925 20 0 FCADMP Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754514 1259681377 /nfs/dbraw/zinc/68/13/77/1259681377.db2.gz QXUQWAJYZMHQFR-QSPRXWTASA-N 2 1 362.449 0.925 20 0 FCADMP O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246756620 1259681812 /nfs/dbraw/zinc/68/18/12/1259681812.db2.gz VUQAABTVRSXUED-AOIWGVFYSA-N 2 1 355.486 0.504 20 0 FCADMP c1cc(COC[C@]23COC[C@H]2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)ccn1 ZINC001246755048 1259682369 /nfs/dbraw/zinc/68/23/69/1259682369.db2.gz SMBSTUCZTPOHSN-CEXWTWQISA-N 2 1 358.486 0.641 20 0 FCADMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755796 1259682887 /nfs/dbraw/zinc/68/28/87/1259682887.db2.gz UIGFOLKGZBFQCC-HSALFYBXSA-N 3 1 371.529 0.698 20 0 FCADMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755796 1259682894 /nfs/dbraw/zinc/68/28/94/1259682894.db2.gz UIGFOLKGZBFQCC-HSALFYBXSA-N 3 1 371.529 0.698 20 0 FCADMP c1cc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755796 1259682901 /nfs/dbraw/zinc/68/29/01/1259682901.db2.gz UIGFOLKGZBFQCC-HSALFYBXSA-N 3 1 371.529 0.698 20 0 FCADMP c1cc(CN2CCO[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755796 1259682909 /nfs/dbraw/zinc/68/29/09/1259682909.db2.gz UIGFOLKGZBFQCC-HSALFYBXSA-N 2 1 371.529 0.698 20 0 FCADMP c1cc(CN2CCO[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755796 1259682917 /nfs/dbraw/zinc/68/29/17/1259682917.db2.gz UIGFOLKGZBFQCC-HSALFYBXSA-N 2 1 371.529 0.698 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246762504 1259684399 /nfs/dbraw/zinc/68/43/99/1259684399.db2.gz GJXSSNLENXLEET-MRXNPFEDSA-N 3 1 362.522 0.261 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246762504 1259684405 /nfs/dbraw/zinc/68/44/05/1259684405.db2.gz GJXSSNLENXLEET-MRXNPFEDSA-N 3 1 362.522 0.261 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771682 1259685883 /nfs/dbraw/zinc/68/58/83/1259685883.db2.gz YHYBSERNBFERER-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)C[NH2+]1 ZINC001246771682 1259685891 /nfs/dbraw/zinc/68/58/91/1259685891.db2.gz YHYBSERNBFERER-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246785965 1259689010 /nfs/dbraw/zinc/68/90/10/1259689010.db2.gz BOCCRSAJEQDMQL-FUHIMQAGSA-N 2 1 364.534 0.866 20 0 FCADMP O=C1[C@@H]2CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C(=O)N1Cc1ccccc1 ZINC001246846579 1259690492 /nfs/dbraw/zinc/69/04/92/1259690492.db2.gz BKTWTCBDZDHIOW-RCCFBDPRSA-N 2 1 368.481 0.730 20 0 FCADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCNCC[NH2+]CCNCC3)CCO2)cc1 ZINC001246819544 1259691210 /nfs/dbraw/zinc/69/12/10/1259691210.db2.gz GUCFTJGCYBDZPJ-ICSRJNTNSA-N 2 1 362.518 1.000 20 0 FCADMP O=C(c1ccccc1)N1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246818026 1259691851 /nfs/dbraw/zinc/69/18/51/1259691851.db2.gz CCBQULMZDSHJSO-UHFFFAOYSA-N 2 1 359.518 0.376 20 0 FCADMP CCOC(=O)[C@]12CN([C@@H]3C[NH2+][C@H](C(=O)OC(C)(C)C)C3)C[C@H]1C[NH2+]CC2 ZINC001246853977 1259692028 /nfs/dbraw/zinc/69/20/28/1259692028.db2.gz AXKQJMVQWKOVGG-MMMWYMCRSA-N 2 1 367.490 0.533 20 0 FCADMP CCOC(=O)[C@]12CN([C@H]3C[NH2+][C@H](C(=O)OC(C)(C)C)C3)C[C@H]1C[NH2+]CC2 ZINC001246853976 1259692124 /nfs/dbraw/zinc/69/21/24/1259692124.db2.gz AXKQJMVQWKOVGG-BKEDOTJMSA-N 2 1 367.490 0.533 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCc1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001247655077 1259704770 /nfs/dbraw/zinc/70/47/70/1259704770.db2.gz RKKJVIRFFZXFSG-HNNXBMFYSA-N 2 1 359.430 0.921 20 0 FCADMP O=C1CC2(C[NH2+]C2)[C@@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)N1 ZINC001247869573 1259707179 /nfs/dbraw/zinc/70/71/79/1259707179.db2.gz SZALZNAKHQUNQG-MRXNPFEDSA-N 2 1 369.425 0.719 20 0 FCADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016580 1259731165 /nfs/dbraw/zinc/73/11/65/1259731165.db2.gz XVLQBACUJVUOFT-ZCNNSNEGSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016580 1259731169 /nfs/dbraw/zinc/73/11/69/1259731169.db2.gz XVLQBACUJVUOFT-ZCNNSNEGSA-N 2 1 367.534 0.360 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251016580 1259731175 /nfs/dbraw/zinc/73/11/75/1259731175.db2.gz XVLQBACUJVUOFT-ZCNNSNEGSA-N 2 1 367.534 0.360 20 0 FCADMP O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001251018275 1259731323 /nfs/dbraw/zinc/73/13/23/1259731323.db2.gz XLOMLYAFCVUZMR-HSALFYBXSA-N 2 1 360.502 0.528 20 0 FCADMP O[C@H](CN1CCOCC1)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001251018275 1259731327 /nfs/dbraw/zinc/73/13/27/1259731327.db2.gz XLOMLYAFCVUZMR-HSALFYBXSA-N 2 1 360.502 0.528 20 0 FCADMP O[C@H](CN1CCOCC1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001251018275 1259731334 /nfs/dbraw/zinc/73/13/34/1259731334.db2.gz XLOMLYAFCVUZMR-HSALFYBXSA-N 2 1 360.502 0.528 20 0 FCADMP O[C@H](CN1CCOCC1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001251018275 1259731340 /nfs/dbraw/zinc/73/13/40/1259731340.db2.gz XLOMLYAFCVUZMR-HSALFYBXSA-N 2 1 360.502 0.528 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC001335646166 1259761798 /nfs/dbraw/zinc/76/17/98/1259761798.db2.gz MNOXTOCTFBWYKD-LJQANCHMSA-N 2 1 359.518 0.978 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC001335646166 1259761803 /nfs/dbraw/zinc/76/18/03/1259761803.db2.gz MNOXTOCTFBWYKD-LJQANCHMSA-N 2 1 359.518 0.978 20 0 FCADMP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252416564 1259785599 /nfs/dbraw/zinc/78/55/99/1259785599.db2.gz ZPXOLJCHVCTJJA-HBFSDRIKSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252416564 1259785602 /nfs/dbraw/zinc/78/56/02/1259785602.db2.gz ZPXOLJCHVCTJJA-HBFSDRIKSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252416564 1259785605 /nfs/dbraw/zinc/78/56/05/1259785605.db2.gz ZPXOLJCHVCTJJA-HBFSDRIKSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252416564 1259785610 /nfs/dbraw/zinc/78/56/10/1259785610.db2.gz ZPXOLJCHVCTJJA-HBFSDRIKSA-N 2 1 366.502 0.981 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510373 1259794025 /nfs/dbraw/zinc/79/40/25/1259794025.db2.gz LPNXSTLQLFIWOY-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP CCCCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510373 1259794031 /nfs/dbraw/zinc/79/40/31/1259794031.db2.gz LPNXSTLQLFIWOY-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP CCCCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252510373 1259794038 /nfs/dbraw/zinc/79/40/38/1259794038.db2.gz LPNXSTLQLFIWOY-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP O=C1C=CC(=O)N1CCOCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949476 1259812883 /nfs/dbraw/zinc/81/28/83/1259812883.db2.gz NXPNIBNCPBNLTC-FQEVSTJZSA-N 2 1 373.453 0.155 20 0 FCADMP O=C1C=CC(=O)N1CCOCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949476 1259812891 /nfs/dbraw/zinc/81/28/91/1259812891.db2.gz NXPNIBNCPBNLTC-FQEVSTJZSA-N 2 1 373.453 0.155 20 0 FCADMP COC(=O)C1(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001252947285 1259813255 /nfs/dbraw/zinc/81/32/55/1259813255.db2.gz BILBFKNBVRZSFE-LJQANCHMSA-N 2 1 361.486 0.850 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001253203791 1259831157 /nfs/dbraw/zinc/83/11/57/1259831157.db2.gz LLZKWIDXEFIOLJ-JKSUJKDBSA-N 2 1 360.462 0.531 20 0 FCADMP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335791164 1259841405 /nfs/dbraw/zinc/84/14/05/1259841405.db2.gz SGFUYHUVUNSKPG-HIFRSBDPSA-N 2 1 362.478 0.173 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253795650 1259855146 /nfs/dbraw/zinc/85/51/46/1259855146.db2.gz UJSCNCNHMNSALU-INIZCTEOSA-N 2 1 365.474 0.125 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001253864353 1259859873 /nfs/dbraw/zinc/85/98/73/1259859873.db2.gz TWWJLYHVKXURGE-RBUKOAKNSA-N 2 1 365.566 0.498 20 0 FCADMP COc1cccc(OC[C@H](O)C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001253958064 1259867836 /nfs/dbraw/zinc/86/78/36/1259867836.db2.gz KUJHRYXQIYMDTL-MRXNPFEDSA-N 2 1 365.474 0.531 20 0 FCADMP O=C1COC[C@H]2C[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CCN12 ZINC001254040469 1259869378 /nfs/dbraw/zinc/86/93/78/1259869378.db2.gz UMOMVILUMGNNBY-GOSISDBHSA-N 2 1 359.470 0.557 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC001254040163 1259869686 /nfs/dbraw/zinc/86/96/86/1259869686.db2.gz QQGAHLGBKWLNLG-GOSISDBHSA-N 2 1 361.486 0.803 20 0 FCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)[C@H]2CC[N@@H+](C)C2)C1 ZINC001255424650 1259911278 /nfs/dbraw/zinc/91/12/78/1259911278.db2.gz ZKRVZRFIJXOUTL-FRMKIJSPSA-N 3 1 372.554 0.460 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC001331853916 1266295401 /nfs/dbraw/zinc/29/54/01/1266295401.db2.gz XOSMDJBPICFPKN-FQEVSTJZSA-N 2 1 374.485 0.032 20 0 FCADMP COC(=O)[C@H]1C[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CN1C(=O)OC(C)(C)C ZINC001256256025 1259940656 /nfs/dbraw/zinc/94/06/56/1259940656.db2.gz HGUZNIWNBLSTJD-KWCYVHTRSA-N 2 1 368.434 0.469 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001336035030 1259952989 /nfs/dbraw/zinc/95/29/89/1259952989.db2.gz MNUOBZPXQHEPLB-IEBWSBKVSA-N 2 1 365.522 0.321 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174626 1260025094 /nfs/dbraw/zinc/02/50/94/1260025094.db2.gz FMWKBYXIXZAOPH-HOTGVXAUSA-N 2 1 368.522 0.632 20 0 FCADMP O=C1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CCN1Cc1ccccc1 ZINC001258569348 1260055420 /nfs/dbraw/zinc/05/54/20/1260055420.db2.gz ULLKAUACDVAOLP-LJQANCHMSA-N 2 1 363.502 0.834 20 0 FCADMP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001336325859 1260085545 /nfs/dbraw/zinc/08/55/45/1260085545.db2.gz MZROMGDQWPIGBD-UHFFFAOYSA-N 2 1 357.495 0.423 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001261381021 1260129537 /nfs/dbraw/zinc/12/95/37/1260129537.db2.gz WNWPAJFISVZWOE-UZLBHIALSA-N 2 1 360.502 0.987 20 0 FCADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750156 1260213776 /nfs/dbraw/zinc/21/37/76/1260213776.db2.gz NIRDOEZVYJTGOB-UYAOXDASSA-N 2 1 364.486 0.770 20 0 FCADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750156 1260213781 /nfs/dbraw/zinc/21/37/81/1260213781.db2.gz NIRDOEZVYJTGOB-UYAOXDASSA-N 2 1 364.486 0.770 20 0 FCADMP O[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750154 1260214018 /nfs/dbraw/zinc/21/40/18/1260214018.db2.gz NIRDOEZVYJTGOB-ICSRJNTNSA-N 2 1 364.486 0.770 20 0 FCADMP O[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750154 1260214024 /nfs/dbraw/zinc/21/40/24/1260214024.db2.gz NIRDOEZVYJTGOB-ICSRJNTNSA-N 2 1 364.486 0.770 20 0 FCADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@@H]1C[NH3+] ZINC001336876716 1260244047 /nfs/dbraw/zinc/24/40/47/1260244047.db2.gz IWFAPDYSOWWXIH-JKSUJKDBSA-N 2 1 354.495 0.494 20 0 FCADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@H]1C[NH3+] ZINC001336876713 1260244770 /nfs/dbraw/zinc/24/47/70/1260244770.db2.gz IWFAPDYSOWWXIH-HOTGVXAUSA-N 2 1 354.495 0.494 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001262034544 1260249029 /nfs/dbraw/zinc/24/90/29/1260249029.db2.gz HTTQLDRDMNMOQR-INIZCTEOSA-N 2 1 361.490 0.121 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001337035511 1260291987 /nfs/dbraw/zinc/29/19/87/1260291987.db2.gz JPTFHHXLXVBGJJ-GFCCVEGCSA-N 2 1 357.418 0.332 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051376 1260295854 /nfs/dbraw/zinc/29/58/54/1260295854.db2.gz CANZZVHYNXUMAJ-OXFYSEKESA-N 2 1 374.485 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051376 1260295857 /nfs/dbraw/zinc/29/58/57/1260295857.db2.gz CANZZVHYNXUMAJ-OXFYSEKESA-N 2 1 374.485 0.950 20 0 FCADMP COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC001337049014 1260296121 /nfs/dbraw/zinc/29/61/21/1260296121.db2.gz VRSZOSZKZPKGRC-AWEZNQCLSA-N 2 1 364.446 0.394 20 0 FCADMP COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)ccc1OCC[NH+](C)C ZINC001337049014 1260296127 /nfs/dbraw/zinc/29/61/27/1260296127.db2.gz VRSZOSZKZPKGRC-AWEZNQCLSA-N 2 1 364.446 0.394 20 0 FCADMP C[C@H]1Cn2nc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099592 1260339250 /nfs/dbraw/zinc/33/92/50/1260339250.db2.gz OMAFIXOHUAIROP-BBRMVZONSA-N 2 1 362.478 0.047 20 0 FCADMP C[C@H]1Cn2nc(C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099592 1260339255 /nfs/dbraw/zinc/33/92/55/1260339255.db2.gz OMAFIXOHUAIROP-BBRMVZONSA-N 2 1 362.478 0.047 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)O1 ZINC001337399965 1260390367 /nfs/dbraw/zinc/39/03/67/1260390367.db2.gz MQLJPRHACUFKOF-IYBDPMFKSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)O1 ZINC001337399965 1260390371 /nfs/dbraw/zinc/39/03/71/1260390371.db2.gz MQLJPRHACUFKOF-IYBDPMFKSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)O1 ZINC001337399965 1260390378 /nfs/dbraw/zinc/39/03/78/1260390378.db2.gz MQLJPRHACUFKOF-IYBDPMFKSA-N 2 1 356.511 0.447 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001272868665 1260521527 /nfs/dbraw/zinc/52/15/27/1260521527.db2.gz VLEFDBIMYRIDER-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001272868665 1260521530 /nfs/dbraw/zinc/52/15/30/1260521530.db2.gz VLEFDBIMYRIDER-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001338011675 1260536355 /nfs/dbraw/zinc/53/63/55/1260536355.db2.gz OLLDZJSVNJGOCH-AOIWGVFYSA-N 2 1 365.522 0.367 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CCCC[N@H+]2C)C3)CC1 ZINC001273136543 1260600860 /nfs/dbraw/zinc/60/08/60/1260600860.db2.gz DJPQXRXLENYTOB-IRXDYDNUSA-N 2 1 362.518 0.872 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCOC)CC3)[C@@H]2C1 ZINC001278272140 1260689503 /nfs/dbraw/zinc/68/95/03/1260689503.db2.gz GCJZARNUZNONII-HZPDHXFCSA-N 2 1 361.490 0.562 20 0 FCADMP CCC1(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)[C@H]2CC3CC[NH+]2CC3)COC1 ZINC001278472505 1260696104 /nfs/dbraw/zinc/69/61/04/1260696104.db2.gz OTICTPUBMNKHAL-FGTMMUONSA-N 2 1 363.502 0.809 20 0 FCADMP CCC1(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)[C@H]2CC3CC[NH+]2CC3)COC1 ZINC001278472505 1260696110 /nfs/dbraw/zinc/69/61/10/1260696110.db2.gz OTICTPUBMNKHAL-FGTMMUONSA-N 2 1 363.502 0.809 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cccnc4)CC3)[C@@H]2C1 ZINC001279177981 1260798584 /nfs/dbraw/zinc/79/85/84/1260798584.db2.gz BZFWHMHASSDFBN-QZTJIDSGSA-N 2 1 357.502 0.656 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc(OC)c1O ZINC001279185910 1260799984 /nfs/dbraw/zinc/79/99/84/1260799984.db2.gz IRZFGDJBBXRLDB-IYBDPMFKSA-N 2 1 365.474 0.856 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc(OC)c1O ZINC001279185910 1260799989 /nfs/dbraw/zinc/79/99/89/1260799989.db2.gz IRZFGDJBBXRLDB-IYBDPMFKSA-N 2 1 365.474 0.856 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279466565 1260873594 /nfs/dbraw/zinc/87/35/94/1260873594.db2.gz ADGDELIDCMAKMD-BRWVUGGUSA-N 2 1 367.490 0.298 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251752 1266366836 /nfs/dbraw/zinc/36/68/36/1266366836.db2.gz GGSGTTFQIBLWPM-QAPCUYQASA-N 2 1 358.486 0.665 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCCO4)CC3)[C@@H]2C1 ZINC001279473627 1260876299 /nfs/dbraw/zinc/87/62/99/1260876299.db2.gz ASRMQMJBDWBCJN-RCCFBDPRSA-N 2 1 364.534 0.630 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccccc3-n3cncn3)C[C@@H]21 ZINC001279713327 1260919282 /nfs/dbraw/zinc/91/92/82/1260919282.db2.gz STDJZBFKSBNTGK-OALUTQOASA-N 2 1 356.474 0.714 20 0 FCADMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825939 1260939244 /nfs/dbraw/zinc/93/92/44/1260939244.db2.gz IBRDXCNQKVEZOI-BFJAYTPKSA-N 2 1 360.462 0.726 20 0 FCADMP Cc1n[nH]cc1C[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279863258 1260947098 /nfs/dbraw/zinc/94/70/98/1260947098.db2.gz QCRCRXADPBOUMT-INIZCTEOSA-N 2 1 357.462 0.937 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc(-n4nccn4)cc3)C[C@H](C1)O2 ZINC001279880325 1260949641 /nfs/dbraw/zinc/94/96/41/1260949641.db2.gz URJGKPFUKVUZJW-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc(-n4nccn4)cc3)C[C@H](C1)O2 ZINC001279880325 1260949644 /nfs/dbraw/zinc/94/96/44/1260949644.db2.gz URJGKPFUKVUZJW-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP COC(=O)CCC[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279883127 1260950283 /nfs/dbraw/zinc/95/02/83/1260950283.db2.gz BTUQIOWRHLWAKA-PVAVHDDUSA-N 2 1 367.490 0.629 20 0 FCADMP CCC1(C[N@@H+]2C[C@@H]3C(C(=O)N4CCC([NH+](C)C)CC4)=NO[C@@H]3C2)COC1 ZINC001279905400 1260957129 /nfs/dbraw/zinc/95/71/29/1260957129.db2.gz QWIHUPHUZMNFIZ-JKSUJKDBSA-N 2 1 364.490 0.652 20 0 FCADMP C[NH+]1CCC([NH+]2CCC3(CN(C(=O)Cn4cccnc4=O)C3)CC2)CC1 ZINC001280070265 1260989655 /nfs/dbraw/zinc/98/96/55/1260989655.db2.gz PWPXKBRRULJYRS-UHFFFAOYSA-N 2 1 359.474 0.262 20 0 FCADMP O=C(C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12)NC1CC1 ZINC001280074756 1260991722 /nfs/dbraw/zinc/99/17/22/1260991722.db2.gz SMMIDADDZVDXFC-IAGOWNOFSA-N 2 1 360.502 0.720 20 0 FCADMP O=C(C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12)NC1CC1 ZINC001280074756 1260991726 /nfs/dbraw/zinc/99/17/26/1260991726.db2.gz SMMIDADDZVDXFC-IAGOWNOFSA-N 2 1 360.502 0.720 20 0 FCADMP CCOC(=O)CC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280091406 1260999396 /nfs/dbraw/zinc/99/93/96/1260999396.db2.gz PKXWHPUDHBAYMR-RDTXWAMCSA-N 2 1 363.462 0.658 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C(=O)NCC3COC3)n3nccc3C2)CC1 ZINC001280125426 1261010663 /nfs/dbraw/zinc/01/06/63/1261010663.db2.gz IRERZCCFDWUIRY-SFHVURJKSA-N 2 1 361.490 0.734 20 0 FCADMP C[C@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001280125408 1261011177 /nfs/dbraw/zinc/01/11/77/1261011177.db2.gz IMAYERXRRKIIQV-LBPRGKRZSA-N 2 1 370.448 0.861 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)[C@]23C[C@H]2CC[N@H+]3CC2CC[NH2+]CC2)cn1 ZINC001280138414 1261014194 /nfs/dbraw/zinc/01/41/94/1261014194.db2.gz YPWIUARVSBCNMB-APWZRJJASA-N 3 1 360.506 0.847 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001280189505 1261025748 /nfs/dbraw/zinc/02/57/48/1261025748.db2.gz VDWLBUSTOOOGMH-KBMXLJTQSA-N 2 1 360.458 0.180 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]23)CC1 ZINC001280202880 1261031512 /nfs/dbraw/zinc/03/15/12/1261031512.db2.gz AYAFHDPLEFTYNF-YESZJQIVSA-N 2 1 364.490 0.795 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@@H](C(=O)NCC(=O)N(C)C)O3)CC1 ZINC001280250311 1261041971 /nfs/dbraw/zinc/04/19/71/1261041971.db2.gz LROFRZBEHBMUIU-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280249207 1261042193 /nfs/dbraw/zinc/04/21/93/1261042193.db2.gz AXNNLVHISXALIB-QYZOEREBSA-N 2 1 365.518 0.960 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC001281628991 1261128825 /nfs/dbraw/zinc/12/88/25/1261128825.db2.gz IGPZPXJYMZBVCR-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2)N1CC[NH2+]CC1 ZINC001332454311 1266409060 /nfs/dbraw/zinc/40/90/60/1266409060.db2.gz CBAJXPACPDZTNL-UHFFFAOYSA-N 2 1 358.442 0.075 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC001474552600 1261508642 /nfs/dbraw/zinc/50/86/42/1261508642.db2.gz NRSITOYVADVMSS-UHFFFAOYSA-N 2 1 368.503 0.416 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001332519675 1266421875 /nfs/dbraw/zinc/42/18/75/1266421875.db2.gz HRNPWUFUFTZBQQ-IRXDYDNUSA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001332519675 1266421879 /nfs/dbraw/zinc/42/18/79/1266421879.db2.gz HRNPWUFUFTZBQQ-IRXDYDNUSA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001332519675 1266421884 /nfs/dbraw/zinc/42/18/84/1266421884.db2.gz HRNPWUFUFTZBQQ-IRXDYDNUSA-N 2 1 362.526 0.374 20 0 FCADMP Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116660 1261637178 /nfs/dbraw/zinc/63/71/78/1261637178.db2.gz IBBIAXZMTAMSJN-HOTGVXAUSA-N 2 1 373.501 0.802 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC001345469648 1261715892 /nfs/dbraw/zinc/71/58/92/1261715892.db2.gz JDVMYGQCHXFOMH-SFHVURJKSA-N 2 1 374.485 0.215 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001285930117 1261886588 /nfs/dbraw/zinc/88/65/88/1261886588.db2.gz MSLFIDCSDDQTDJ-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001285930117 1261886599 /nfs/dbraw/zinc/88/65/99/1261886599.db2.gz MSLFIDCSDDQTDJ-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001289624623 1262276021 /nfs/dbraw/zinc/27/60/21/1262276021.db2.gz HOPJNPDFNZWRLD-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001289624623 1262276029 /nfs/dbraw/zinc/27/60/29/1262276029.db2.gz HOPJNPDFNZWRLD-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001289832936 1262354011 /nfs/dbraw/zinc/35/40/11/1262354011.db2.gz COUDFJTYSXTPKJ-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]21 ZINC001289832936 1262354016 /nfs/dbraw/zinc/35/40/16/1262354016.db2.gz COUDFJTYSXTPKJ-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001289832936 1262354021 /nfs/dbraw/zinc/35/40/21/1262354021.db2.gz COUDFJTYSXTPKJ-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001289832936 1262354025 /nfs/dbraw/zinc/35/40/25/1262354025.db2.gz COUDFJTYSXTPKJ-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@H+](C)CCOC ZINC001293139702 1262711255 /nfs/dbraw/zinc/71/12/55/1262711255.db2.gz CZYJBZGYMFSMJW-MRXNPFEDSA-N 2 1 366.510 0.330 20 0 FCADMP CCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@@H+](C)CCOC ZINC001293139702 1262711258 /nfs/dbraw/zinc/71/12/58/1262711258.db2.gz CZYJBZGYMFSMJW-MRXNPFEDSA-N 2 1 366.510 0.330 20 0 FCADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+](C)CCOC ZINC001293139702 1262711261 /nfs/dbraw/zinc/71/12/61/1262711261.db2.gz CZYJBZGYMFSMJW-MRXNPFEDSA-N 2 1 366.510 0.330 20 0 FCADMP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+](C)CCOC ZINC001293139702 1262711263 /nfs/dbraw/zinc/71/12/63/1262711263.db2.gz CZYJBZGYMFSMJW-MRXNPFEDSA-N 2 1 366.510 0.330 20 0 FCADMP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001295547261 1262769831 /nfs/dbraw/zinc/76/98/31/1262769831.db2.gz DESBVMPJWYCDLJ-ARFHVFGLSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298789441 1262941708 /nfs/dbraw/zinc/94/17/08/1262941708.db2.gz OMSQEGSJPSESKZ-SQWLQELKSA-N 2 1 364.494 0.019 20 0 FCADMP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298789811 1262941717 /nfs/dbraw/zinc/94/17/17/1262941717.db2.gz XVZOAYSIKUBLAC-SQWLQELKSA-N 2 1 370.457 0.842 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CCC1 ZINC001479666935 1263322047 /nfs/dbraw/zinc/32/20/47/1263322047.db2.gz IRJBTBQPQNXGCM-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001479669727 1263327610 /nfs/dbraw/zinc/32/76/10/1263327610.db2.gz NDPBXIIBCNGOTD-SQNIBIBYSA-N 2 1 364.534 0.879 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001479674640 1263341965 /nfs/dbraw/zinc/34/19/65/1263341965.db2.gz LJBZJEOXRVEZQG-SJORKVTESA-N 2 1 371.547 0.687 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001479674640 1263341974 /nfs/dbraw/zinc/34/19/74/1263341974.db2.gz LJBZJEOXRVEZQG-SJORKVTESA-N 2 1 371.547 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001317079050 1263500606 /nfs/dbraw/zinc/50/06/06/1263500606.db2.gz VEHXOINFQGVRDE-AAVRWANBSA-N 2 1 367.494 0.188 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317462078 1263513718 /nfs/dbraw/zinc/51/37/18/1263513718.db2.gz ZDDZLHBQLLFQQW-NXHRZFHOSA-N 2 1 360.502 0.857 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317462078 1263513725 /nfs/dbraw/zinc/51/37/25/1263513725.db2.gz ZDDZLHBQLLFQQW-NXHRZFHOSA-N 2 1 360.502 0.857 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317462078 1263513729 /nfs/dbraw/zinc/51/37/29/1263513729.db2.gz ZDDZLHBQLLFQQW-NXHRZFHOSA-N 2 1 360.502 0.857 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317462078 1263513735 /nfs/dbraw/zinc/51/37/35/1263513735.db2.gz ZDDZLHBQLLFQQW-NXHRZFHOSA-N 2 1 360.502 0.857 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001580385362 1278203490 /nfs/dbraw/zinc/20/34/90/1278203490.db2.gz GBSNMIHNAUUPQO-CHWSQXEVSA-N 2 1 356.434 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001580385362 1278203496 /nfs/dbraw/zinc/20/34/96/1278203496.db2.gz GBSNMIHNAUUPQO-CHWSQXEVSA-N 2 1 356.434 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001580385838 1278204442 /nfs/dbraw/zinc/20/44/42/1278204442.db2.gz WPBTWZUNLJJIQS-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001318870964 1263621002 /nfs/dbraw/zinc/62/10/02/1263621002.db2.gz JZWZENBGRYDIQF-RCCFBDPRSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001492256553 1263646179 /nfs/dbraw/zinc/64/61/79/1263646179.db2.gz HANDILGOCZLULH-ZIAGYGMSSA-N 2 1 351.499 0.359 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001492256553 1263646188 /nfs/dbraw/zinc/64/61/88/1263646188.db2.gz HANDILGOCZLULH-ZIAGYGMSSA-N 2 1 351.499 0.359 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001492256553 1263646191 /nfs/dbraw/zinc/64/61/91/1263646191.db2.gz HANDILGOCZLULH-ZIAGYGMSSA-N 2 1 351.499 0.359 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001493292251 1263715552 /nfs/dbraw/zinc/71/55/52/1263715552.db2.gz ZYWCRWJDXYZVIH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001493292251 1263715561 /nfs/dbraw/zinc/71/55/61/1263715561.db2.gz ZYWCRWJDXYZVIH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001493292251 1263715562 /nfs/dbraw/zinc/71/55/62/1263715562.db2.gz ZYWCRWJDXYZVIH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001493292251 1263715567 /nfs/dbraw/zinc/71/55/67/1263715567.db2.gz ZYWCRWJDXYZVIH-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP NC(=O)C[C@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@@H](CC(N)=O)C3)COC2)C1 ZINC001320115398 1263763751 /nfs/dbraw/zinc/76/37/51/1263763751.db2.gz FEDBOQLHCZRRDN-IYBDPMFKSA-N 2 1 366.506 0.178 20 0 FCADMP NC(=O)C[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)COC2)C1 ZINC001320115398 1263763755 /nfs/dbraw/zinc/76/37/55/1263763755.db2.gz FEDBOQLHCZRRDN-IYBDPMFKSA-N 2 1 366.506 0.178 20 0 FCADMP NC(=O)C[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CC(N)=O)C3)COC2)C1 ZINC001320115398 1263763760 /nfs/dbraw/zinc/76/37/60/1263763760.db2.gz FEDBOQLHCZRRDN-IYBDPMFKSA-N 2 1 366.506 0.178 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)Nc1ccccc1 ZINC001320271434 1263779534 /nfs/dbraw/zinc/77/95/34/1263779534.db2.gz BTGGROLMNFABSA-ARFHVFGLSA-N 2 1 371.441 0.229 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001496098306 1263856586 /nfs/dbraw/zinc/85/65/86/1263856586.db2.gz SHRSZXYILATMRM-TZMCWYRMSA-N 2 1 351.451 0.265 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001496098306 1263856601 /nfs/dbraw/zinc/85/66/01/1263856601.db2.gz SHRSZXYILATMRM-TZMCWYRMSA-N 2 1 351.451 0.265 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1C ZINC001496708418 1263890027 /nfs/dbraw/zinc/89/00/27/1263890027.db2.gz ZLHCZECZRRZRCZ-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCC[C@H](C)C2)CC[N@H+]1C ZINC001496708418 1263890033 /nfs/dbraw/zinc/89/00/33/1263890033.db2.gz ZLHCZECZRRZRCZ-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N2CCC[C@H](C)C2)CC[NH+]1C ZINC001496708418 1263890041 /nfs/dbraw/zinc/89/00/41/1263890041.db2.gz ZLHCZECZRRZRCZ-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N2CCC[C@H](C)C2)CC[NH+]1C ZINC001496708418 1263890046 /nfs/dbraw/zinc/89/00/46/1263890046.db2.gz ZLHCZECZRRZRCZ-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP CCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001499060192 1264001516 /nfs/dbraw/zinc/00/15/16/1264001516.db2.gz ISYQUQLAYOSRPV-APWZRJJASA-N 2 1 362.522 0.972 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219302 1264111460 /nfs/dbraw/zinc/11/14/60/1264111460.db2.gz GVJOQZCAWFGFLM-DMRKSPOLSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@H](C)NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219302 1264111464 /nfs/dbraw/zinc/11/14/64/1264111464.db2.gz GVJOQZCAWFGFLM-DMRKSPOLSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@H](C)NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219302 1264111469 /nfs/dbraw/zinc/11/14/69/1264111469.db2.gz GVJOQZCAWFGFLM-DMRKSPOLSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001501952570 1264157107 /nfs/dbraw/zinc/15/71/07/1264157107.db2.gz RZKXPYWZNVKPRL-QLFBSQMISA-N 2 1 357.520 0.390 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001502342282 1264168572 /nfs/dbraw/zinc/16/85/72/1264168572.db2.gz LZPTXRXNRWOQPI-RBSFLKMASA-N 2 1 364.494 0.019 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580403127 1278232033 /nfs/dbraw/zinc/23/20/33/1278232033.db2.gz LALZGBIRCIWVNV-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001512351020 1264619494 /nfs/dbraw/zinc/61/94/94/1264619494.db2.gz BMPYWTDDKGPOMV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001512351020 1264619503 /nfs/dbraw/zinc/61/95/03/1264619503.db2.gz BMPYWTDDKGPOMV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001512351020 1264619510 /nfs/dbraw/zinc/61/95/10/1264619510.db2.gz BMPYWTDDKGPOMV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)C1CCC1 ZINC001512980935 1264791976 /nfs/dbraw/zinc/79/19/76/1264791976.db2.gz HIUGDKYQQZUYGC-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001325426634 1264882485 /nfs/dbraw/zinc/88/24/85/1264882485.db2.gz GQPILQSVNLQFNY-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1OC ZINC001513404957 1265105713 /nfs/dbraw/zinc/10/57/13/1265105713.db2.gz RENMQSDZEDRBDK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1OC ZINC001513404957 1265105719 /nfs/dbraw/zinc/10/57/19/1265105719.db2.gz RENMQSDZEDRBDK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1OC ZINC001513404957 1265105721 /nfs/dbraw/zinc/10/57/21/1265105721.db2.gz RENMQSDZEDRBDK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580408175 1278248370 /nfs/dbraw/zinc/24/83/70/1278248370.db2.gz DHGOOMOUXWFUOH-UMVBOHGHSA-N 2 1 357.462 0.801 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001513717373 1265266730 /nfs/dbraw/zinc/26/67/30/1265266730.db2.gz QPAYZBQXPKIJCO-HLLBOEOZSA-N 2 1 370.538 0.238 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001332572776 1266432724 /nfs/dbraw/zinc/43/27/24/1266432724.db2.gz JHDQOVRXEPXASQ-RCCFBDPRSA-N 2 1 365.522 0.176 20 0 FCADMP [NH3+]CCN(CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)Cc1ccccc1 ZINC001333354621 1266585103 /nfs/dbraw/zinc/58/51/03/1266585103.db2.gz PVCOIRKYKPPVFS-UHFFFAOYSA-N 3 1 368.485 0.891 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001333355405 1266585400 /nfs/dbraw/zinc/58/54/00/1266585400.db2.gz DJMWDMPYLPVJCI-UHFFFAOYSA-N 2 1 358.446 0.865 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001333404745 1266594022 /nfs/dbraw/zinc/59/40/22/1266594022.db2.gz IBMSKOUUBZWAPB-OWLYRPNTSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001333404745 1266594029 /nfs/dbraw/zinc/59/40/29/1266594029.db2.gz IBMSKOUUBZWAPB-OWLYRPNTSA-N 2 1 374.485 0.246 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001333405058 1266594352 /nfs/dbraw/zinc/59/43/52/1266594352.db2.gz QCASBKZUYGEBRB-BZSNNMDCSA-N 2 1 358.486 0.521 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001333574273 1266635504 /nfs/dbraw/zinc/63/55/04/1266635504.db2.gz HHTOVWBJKKRTBL-JKSUJKDBSA-N 2 1 351.495 0.513 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001524009214 1266675721 /nfs/dbraw/zinc/67/57/21/1266675721.db2.gz PQUFJFJTGWVUOB-SJORKVTESA-N 2 1 359.474 0.162 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@@H](C)C1 ZINC001527878054 1266932432 /nfs/dbraw/zinc/93/24/32/1266932432.db2.gz LKAFRLTXSRQLOL-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@@H](C)C1 ZINC001527878054 1266932439 /nfs/dbraw/zinc/93/24/39/1266932439.db2.gz LKAFRLTXSRQLOL-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC001527878054 1266932443 /nfs/dbraw/zinc/93/24/43/1266932443.db2.gz LKAFRLTXSRQLOL-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC001527878054 1266932450 /nfs/dbraw/zinc/93/24/50/1266932450.db2.gz LKAFRLTXSRQLOL-CVEARBPZSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001334313102 1266942693 /nfs/dbraw/zinc/94/26/93/1266942693.db2.gz FLXLWQUOLLQLSL-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001334460447 1267013428 /nfs/dbraw/zinc/01/34/28/1267013428.db2.gz AKRBGGMAVQYNHC-MRXNPFEDSA-N 2 1 351.499 0.564 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001334460447 1267013439 /nfs/dbraw/zinc/01/34/39/1267013439.db2.gz AKRBGGMAVQYNHC-MRXNPFEDSA-N 2 1 351.499 0.564 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001334480109 1267027105 /nfs/dbraw/zinc/02/71/05/1267027105.db2.gz YFUKQYWXSOTEDB-KRWDZBQOSA-N 2 1 362.526 0.374 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001334480109 1267027110 /nfs/dbraw/zinc/02/71/10/1267027110.db2.gz YFUKQYWXSOTEDB-KRWDZBQOSA-N 2 1 362.526 0.374 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001334480109 1267027118 /nfs/dbraw/zinc/02/71/18/1267027118.db2.gz YFUKQYWXSOTEDB-KRWDZBQOSA-N 2 1 362.526 0.374 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001580447094 1278307668 /nfs/dbraw/zinc/30/76/68/1278307668.db2.gz QTZOPUBTVIEGCE-STQMWFEESA-N 2 1 370.461 0.475 20 0 FCADMP O=S1(=O)CCN(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)CC1 ZINC001334761916 1267165688 /nfs/dbraw/zinc/16/56/88/1267165688.db2.gz AMKYJPFIMBDMLC-QGZVFWFLSA-N 2 1 371.547 0.340 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580446922 1278310836 /nfs/dbraw/zinc/31/08/36/1278310836.db2.gz NWQCZYHHDXFTKD-MELADBBJSA-N 2 1 370.461 0.427 20 0 FCADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC001549113745 1267812705 /nfs/dbraw/zinc/81/27/05/1267812705.db2.gz UOBZFGJHLCPYSC-DNVCBOLYSA-N 2 1 360.458 0.625 20 0 FCADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC001549113745 1267812723 /nfs/dbraw/zinc/81/27/23/1267812723.db2.gz UOBZFGJHLCPYSC-DNVCBOLYSA-N 2 1 360.458 0.625 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1=O ZINC001549134810 1267818859 /nfs/dbraw/zinc/81/88/59/1267818859.db2.gz SAYFUSSZMFOUEO-WOCWXWTJSA-N 2 1 362.518 0.907 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1n1ccnn1 ZINC001549554824 1267954282 /nfs/dbraw/zinc/95/42/82/1267954282.db2.gz WNQKZSFUEIKSAX-YYIAUSFCSA-N 2 1 361.494 0.792 20 0 FCADMP NC(=O)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC001338483701 1267955236 /nfs/dbraw/zinc/95/52/36/1267955236.db2.gz PKTGJFBPZQMTCC-HDICACEKSA-N 2 1 371.485 0.896 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)n1 ZINC001549762226 1267993665 /nfs/dbraw/zinc/99/36/65/1267993665.db2.gz KXVGCDHKOKFNBN-QFBILLFUSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)n1 ZINC001549762226 1267993674 /nfs/dbraw/zinc/99/36/74/1267993674.db2.gz KXVGCDHKOKFNBN-QFBILLFUSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC001549762226 1267993681 /nfs/dbraw/zinc/99/36/81/1267993681.db2.gz KXVGCDHKOKFNBN-QFBILLFUSA-N 2 1 361.490 0.545 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC001549762226 1267993687 /nfs/dbraw/zinc/99/36/87/1267993687.db2.gz KXVGCDHKOKFNBN-QFBILLFUSA-N 2 1 361.490 0.545 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+](C2CC2)C1 ZINC001549761971 1267994666 /nfs/dbraw/zinc/99/46/66/1267994666.db2.gz JNVYDBMINQRAML-WMLDXEAASA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)CC[N@H+](C2CC2)C1 ZINC001549761971 1267994671 /nfs/dbraw/zinc/99/46/71/1267994671.db2.gz JNVYDBMINQRAML-WMLDXEAASA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761971 1267994676 /nfs/dbraw/zinc/99/46/76/1267994676.db2.gz JNVYDBMINQRAML-WMLDXEAASA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761971 1267994680 /nfs/dbraw/zinc/99/46/80/1267994680.db2.gz JNVYDBMINQRAML-WMLDXEAASA-N 2 1 361.490 0.543 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001549764336 1267997225 /nfs/dbraw/zinc/99/72/25/1267997225.db2.gz WUBQHSIYRFTAOE-USXIJHARSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001549764336 1267997231 /nfs/dbraw/zinc/99/72/31/1267997231.db2.gz WUBQHSIYRFTAOE-USXIJHARSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001549764336 1267997236 /nfs/dbraw/zinc/99/72/36/1267997236.db2.gz WUBQHSIYRFTAOE-USXIJHARSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001549764336 1267997241 /nfs/dbraw/zinc/99/72/41/1267997241.db2.gz WUBQHSIYRFTAOE-USXIJHARSA-N 2 1 361.490 0.807 20 0 FCADMP O=C(N[C@H]1CCc2n[nH]cc2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338592389 1267997406 /nfs/dbraw/zinc/99/74/06/1267997406.db2.gz YLCPASLJNAYCQK-BHYGNILZSA-N 2 1 358.490 0.877 20 0 FCADMP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998539 1268037827 /nfs/dbraw/zinc/03/78/27/1268037827.db2.gz AASJISQJNHIOHJ-PZJWPPBQSA-N 2 1 372.513 0.472 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001550005349 1268044530 /nfs/dbraw/zinc/04/45/30/1268044530.db2.gz NPPWGJWDQUPHQQ-ZACQAIPSSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001550005349 1268044540 /nfs/dbraw/zinc/04/45/40/1268044540.db2.gz NPPWGJWDQUPHQQ-ZACQAIPSSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001550005349 1268044551 /nfs/dbraw/zinc/04/45/51/1268044551.db2.gz NPPWGJWDQUPHQQ-ZACQAIPSSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001550005349 1268044560 /nfs/dbraw/zinc/04/45/60/1268044560.db2.gz NPPWGJWDQUPHQQ-ZACQAIPSSA-N 2 1 361.490 0.950 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)cc1 ZINC001550024098 1268054826 /nfs/dbraw/zinc/05/48/26/1268054826.db2.gz XVYMJXRGHLRVLD-KZNAEPCWSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)cc1 ZINC001550024098 1268054840 /nfs/dbraw/zinc/05/48/40/1268054840.db2.gz XVYMJXRGHLRVLD-KZNAEPCWSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)cc1 ZINC001550024098 1268054851 /nfs/dbraw/zinc/05/48/51/1268054851.db2.gz XVYMJXRGHLRVLD-KZNAEPCWSA-N 2 1 374.485 0.730 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@@H]3C2)cc1 ZINC001550024098 1268054861 /nfs/dbraw/zinc/05/48/61/1268054861.db2.gz XVYMJXRGHLRVLD-KZNAEPCWSA-N 2 1 374.485 0.730 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC001550093978 1268073041 /nfs/dbraw/zinc/07/30/41/1268073041.db2.gz DDWRUVLNYDRPRD-IAGOWNOFSA-N 2 1 355.446 0.570 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC001550093978 1268073051 /nfs/dbraw/zinc/07/30/51/1268073051.db2.gz DDWRUVLNYDRPRD-IAGOWNOFSA-N 2 1 355.446 0.570 20 0 FCADMP O=C(CN1C[C@H]2CCC[N@H+]2C[C@@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC001550146121 1268083082 /nfs/dbraw/zinc/08/30/82/1268083082.db2.gz YGIRGRYTKRAYQM-WOJBJXKFSA-N 2 1 372.513 0.472 20 0 FCADMP O=C(CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC001550146121 1268083089 /nfs/dbraw/zinc/08/30/89/1268083089.db2.gz YGIRGRYTKRAYQM-WOJBJXKFSA-N 2 1 372.513 0.472 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[N@@H+](C)C1 ZINC001550284099 1268104415 /nfs/dbraw/zinc/10/44/15/1268104415.db2.gz WPTIBACBVAXERB-XHSDSOJGSA-N 2 1 354.495 0.506 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC001550410000 1268112333 /nfs/dbraw/zinc/11/23/33/1268112333.db2.gz OESUJNUJBKLBKI-BRSBDYLESA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@@H](O)C2 ZINC001550480799 1268125883 /nfs/dbraw/zinc/12/58/83/1268125883.db2.gz QKYGIZUMFCYDLL-CVYDXHPNSA-N 2 1 350.463 0.946 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@@H](O)C2 ZINC001550480799 1268125888 /nfs/dbraw/zinc/12/58/88/1268125888.db2.gz QKYGIZUMFCYDLL-CVYDXHPNSA-N 2 1 350.463 0.946 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C2 ZINC001550481750 1268126213 /nfs/dbraw/zinc/12/62/13/1268126213.db2.gz PBXUQPLEOHHGGQ-WSRJKRBPSA-N 2 1 352.523 0.218 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C2 ZINC001550481750 1268126217 /nfs/dbraw/zinc/12/62/17/1268126217.db2.gz PBXUQPLEOHHGGQ-WSRJKRBPSA-N 2 1 352.523 0.218 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001550541164 1268129992 /nfs/dbraw/zinc/12/99/92/1268129992.db2.gz RQTXJYRNWYQCJM-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001550541164 1268129994 /nfs/dbraw/zinc/12/99/94/1268129994.db2.gz RQTXJYRNWYQCJM-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001550541164 1268129995 /nfs/dbraw/zinc/12/99/95/1268129995.db2.gz RQTXJYRNWYQCJM-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001550541164 1268130000 /nfs/dbraw/zinc/13/00/00/1268130000.db2.gz RQTXJYRNWYQCJM-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@H]4CC[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC001550567952 1268134237 /nfs/dbraw/zinc/13/42/37/1268134237.db2.gz BTFAVEVAZMRZKN-VUQDICHWSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC001550567952 1268134242 /nfs/dbraw/zinc/13/42/42/1268134242.db2.gz BTFAVEVAZMRZKN-VUQDICHWSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC001550567952 1268134244 /nfs/dbraw/zinc/13/42/44/1268134244.db2.gz BTFAVEVAZMRZKN-VUQDICHWSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001550595385 1268138937 /nfs/dbraw/zinc/13/89/37/1268138937.db2.gz IRMYGKBXMAKGKU-DLBZAZTESA-N 2 1 351.491 0.857 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CCC[NH2+]C[C@H]1F ZINC001550731046 1268157738 /nfs/dbraw/zinc/15/77/38/1268157738.db2.gz JTLALUBEHAHLHC-CABCVRRESA-N 2 1 358.458 0.257 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001550727997 1268157946 /nfs/dbraw/zinc/15/79/46/1268157946.db2.gz XEUUGDWGAABRPH-XWSJACJDSA-N 2 1 359.470 0.831 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001550727997 1268157951 /nfs/dbraw/zinc/15/79/51/1268157951.db2.gz XEUUGDWGAABRPH-XWSJACJDSA-N 2 1 359.470 0.831 20 0 FCADMP [NH3+]C1CCN(CCNC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001550739583 1268159456 /nfs/dbraw/zinc/15/94/56/1268159456.db2.gz CGKDDUAVGONXTH-IRXDYDNUSA-N 2 1 365.522 0.352 20 0 FCADMP CNC(=O)[C@@]12C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414963 1268239752 /nfs/dbraw/zinc/23/97/52/1268239752.db2.gz KNTQAOMZYNHNQF-JBACZVJFSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414963 1268239758 /nfs/dbraw/zinc/23/97/58/1268239758.db2.gz KNTQAOMZYNHNQF-JBACZVJFSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414963 1268239759 /nfs/dbraw/zinc/23/97/59/1268239759.db2.gz KNTQAOMZYNHNQF-JBACZVJFSA-N 2 1 373.497 0.708 20 0 FCADMP CNC(=O)[C@@]12C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@H]1COCC2 ZINC001551414963 1268239762 /nfs/dbraw/zinc/23/97/62/1268239762.db2.gz KNTQAOMZYNHNQF-JBACZVJFSA-N 2 1 373.497 0.708 20 0 FCADMP C[N@H+]1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]21 ZINC001551477837 1268258755 /nfs/dbraw/zinc/25/87/55/1268258755.db2.gz HZVCDPGCXJXPPA-AJYGOWOKSA-N 2 1 358.486 0.752 20 0 FCADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492926 1268260764 /nfs/dbraw/zinc/26/07/64/1268260764.db2.gz YWHILBQXCROBIN-NPNMTCQASA-N 2 1 360.458 0.607 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558799 1268269981 /nfs/dbraw/zinc/26/99/81/1268269981.db2.gz ZZGHDCKRVWYHKF-RDJZCZTQSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551557853 1268270097 /nfs/dbraw/zinc/27/00/97/1268270097.db2.gz XAFARQWOWFSCFU-SOLBZPMBSA-N 2 1 365.522 0.615 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934860 1268314504 /nfs/dbraw/zinc/31/45/04/1268314504.db2.gz CSRZDMUIJPKLAC-FPCVCCKLSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934860 1268314516 /nfs/dbraw/zinc/31/45/16/1268314516.db2.gz CSRZDMUIJPKLAC-FPCVCCKLSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551940349 1268320212 /nfs/dbraw/zinc/32/02/12/1268320212.db2.gz QEDHXAIRELONGB-HOTGVXAUSA-N 2 1 374.489 0.643 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cnn1C ZINC001552090308 1268370061 /nfs/dbraw/zinc/37/00/61/1268370061.db2.gz OOZFJVJWTQMUEN-IRXDYDNUSA-N 2 1 371.489 0.550 20 0 FCADMP Cn1cc([C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552098297 1268372493 /nfs/dbraw/zinc/37/24/93/1268372493.db2.gz UCERAXHMTSKUIU-MOPGFXCFSA-N 2 1 368.485 0.915 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)nn1 ZINC001552167976 1268399613 /nfs/dbraw/zinc/39/96/13/1268399613.db2.gz UYLCQFYUBGCMQL-YQQAZPJKSA-N 2 1 373.461 0.349 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552202891 1268409293 /nfs/dbraw/zinc/40/92/93/1268409293.db2.gz SKVBZHKWFLWQAL-FXAWDEMLSA-N 2 1 358.486 0.999 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001552237871 1268419182 /nfs/dbraw/zinc/41/91/82/1268419182.db2.gz CEXPDMUVIVKDDA-QZTJIDSGSA-N 2 1 358.486 0.564 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001552245121 1268420183 /nfs/dbraw/zinc/42/01/83/1268420183.db2.gz ZPYYPVACPYSMJO-ROUUACIJSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001552245121 1268420186 /nfs/dbraw/zinc/42/01/86/1268420186.db2.gz ZPYYPVACPYSMJO-ROUUACIJSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC001552245126 1268420485 /nfs/dbraw/zinc/42/04/85/1268420485.db2.gz ZPYYPVACPYSMJO-ZWKOTPCHSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC001552245126 1268420488 /nfs/dbraw/zinc/42/04/88/1268420488.db2.gz ZPYYPVACPYSMJO-ZWKOTPCHSA-N 2 1 358.486 0.612 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC001552706326 1268525658 /nfs/dbraw/zinc/52/56/58/1268525658.db2.gz KEAGMECKJNEQLB-SJORKVTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC001552706326 1268525665 /nfs/dbraw/zinc/52/56/65/1268525665.db2.gz KEAGMECKJNEQLB-SJORKVTESA-N 2 1 361.490 0.687 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)C1 ZINC001552706043 1268526296 /nfs/dbraw/zinc/52/62/96/1268526296.db2.gz BWBACXRZCKPMBU-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)C1 ZINC001552706043 1268526304 /nfs/dbraw/zinc/52/63/04/1268526304.db2.gz BWBACXRZCKPMBU-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC001552706043 1268526310 /nfs/dbraw/zinc/52/63/10/1268526310.db2.gz BWBACXRZCKPMBU-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001552706043 1268526316 /nfs/dbraw/zinc/52/63/16/1268526316.db2.gz BWBACXRZCKPMBU-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP C[NH+]1CCN([C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770520 1268543719 /nfs/dbraw/zinc/54/37/19/1268543719.db2.gz WLDDCAGAACJWHI-QGZVFWFLSA-N 2 1 366.554 0.044 20 0 FCADMP C[C@@H]1[C@@H](c2nnc(N3CC[C@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774634 1268543790 /nfs/dbraw/zinc/54/37/90/1268543790.db2.gz MBYZIBMDDCFLEH-IKGGRYGDSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@@H](c2nnc(N3CC[C@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774634 1268543798 /nfs/dbraw/zinc/54/37/98/1268543798.db2.gz MBYZIBMDDCFLEH-IKGGRYGDSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@@H](c2nnc(N3CC[C@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774634 1268543800 /nfs/dbraw/zinc/54/38/00/1268543800.db2.gz MBYZIBMDDCFLEH-IKGGRYGDSA-N 2 1 361.538 0.839 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)C1 ZINC001552800245 1268549802 /nfs/dbraw/zinc/54/98/02/1268549802.db2.gz XSYCXHVAKMDPDN-IKGGRYGDSA-N 2 1 363.510 0.895 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[NH+]2CC[C@H](OC)C2)C1 ZINC001552801196 1268550425 /nfs/dbraw/zinc/55/04/25/1268550425.db2.gz CKQAZAWTDSAXEL-BSDSXHPESA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[NH+]2CC[C@H](OC)C2)C1 ZINC001552801196 1268550429 /nfs/dbraw/zinc/55/04/29/1268550429.db2.gz CKQAZAWTDSAXEL-BSDSXHPESA-N 2 1 368.522 0.990 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](OC)C2)C1 ZINC001552801196 1268550433 /nfs/dbraw/zinc/55/04/33/1268550433.db2.gz CKQAZAWTDSAXEL-BSDSXHPESA-N 2 1 368.522 0.990 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](OC)C2)C1 ZINC001552801196 1268550438 /nfs/dbraw/zinc/55/04/38/1268550438.db2.gz CKQAZAWTDSAXEL-BSDSXHPESA-N 2 1 368.522 0.990 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC001552835179 1268556546 /nfs/dbraw/zinc/55/65/46/1268556546.db2.gz LNKDATNNPDAJCR-FXAWDEMLSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3C[N@H+](C)CC4)CC2)cs1 ZINC001553348612 1268635411 /nfs/dbraw/zinc/63/54/11/1268635411.db2.gz OQSPLIOSGOBBCE-QAPCUYQASA-N 2 1 363.531 0.637 20 0 FCADMP Cc1nc(CN2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3C[N@@H+](C)CC4)CC2)cs1 ZINC001553348612 1268635414 /nfs/dbraw/zinc/63/54/14/1268635414.db2.gz OQSPLIOSGOBBCE-QAPCUYQASA-N 2 1 363.531 0.637 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384813 1268640129 /nfs/dbraw/zinc/64/01/29/1268640129.db2.gz XELXSJSRDSZNMS-DNVCBOLYSA-N 2 1 360.458 0.542 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])c1 ZINC001553426748 1268648289 /nfs/dbraw/zinc/64/82/89/1268648289.db2.gz MODWYFRFPDLLSS-MSOLQXFVSA-N 2 1 368.485 0.915 20 0 FCADMP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001553441947 1268650614 /nfs/dbraw/zinc/65/06/14/1268650614.db2.gz BZGQWEPWOSIVQW-ZHALLVOQSA-N 2 1 366.506 0.637 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@H]21 ZINC001553531934 1268664260 /nfs/dbraw/zinc/66/42/60/1268664260.db2.gz VGBCWUBACIYAAK-RBUKOAKNSA-N 2 1 357.502 0.937 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553528835 1268664579 /nfs/dbraw/zinc/66/45/79/1268664579.db2.gz VHWNOXYUWUFLRK-YQVWRLOYSA-N 2 1 365.522 0.224 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340806063 1268665044 /nfs/dbraw/zinc/66/50/44/1268665044.db2.gz ZYFDQOOXMBMRBQ-HXUWFJFHSA-N 2 1 374.485 0.195 20 0 FCADMP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001340869697 1268687947 /nfs/dbraw/zinc/68/79/47/1268687947.db2.gz ZGNPNQUHNBSODS-WOJBJXKFSA-N 2 1 374.529 0.859 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001340876199 1268690806 /nfs/dbraw/zinc/69/08/06/1268690806.db2.gz VVVXLNIMUTWCBL-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1n1ccnn1 ZINC001553825787 1268719355 /nfs/dbraw/zinc/71/93/55/1268719355.db2.gz AKUWCGFMYINRJH-JKSUJKDBSA-N 2 1 352.402 0.486 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001341335112 1268942290 /nfs/dbraw/zinc/94/22/90/1268942290.db2.gz SQFGUTWHVDOEHI-BBWFWOEESA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001341335112 1268942295 /nfs/dbraw/zinc/94/22/95/1268942295.db2.gz SQFGUTWHVDOEHI-BBWFWOEESA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001341335112 1268942297 /nfs/dbraw/zinc/94/22/97/1268942297.db2.gz SQFGUTWHVDOEHI-BBWFWOEESA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001341569185 1269087561 /nfs/dbraw/zinc/08/75/61/1269087561.db2.gz JSCNRJQKQSJBKI-MRXNPFEDSA-N 2 1 352.504 0.712 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001341569185 1269087566 /nfs/dbraw/zinc/08/75/66/1269087566.db2.gz JSCNRJQKQSJBKI-MRXNPFEDSA-N 2 1 352.504 0.712 20 0 FCADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001341579113 1269092936 /nfs/dbraw/zinc/09/29/36/1269092936.db2.gz GSRXCTRQXZMFMF-NOLJZWGESA-N 2 1 360.462 0.754 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001341633321 1269122820 /nfs/dbraw/zinc/12/28/20/1269122820.db2.gz AUDDBJAGHIHITE-CHWSQXEVSA-N 2 1 358.408 0.726 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001559915733 1269180959 /nfs/dbraw/zinc/18/09/59/1269180959.db2.gz YQPAMAWNECTYSM-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001559915733 1269180963 /nfs/dbraw/zinc/18/09/63/1269180963.db2.gz YQPAMAWNECTYSM-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](O)[C@H](CO)C1 ZINC001559915733 1269180968 /nfs/dbraw/zinc/18/09/68/1269180968.db2.gz YQPAMAWNECTYSM-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](O)[C@H](CO)C1 ZINC001559915733 1269180972 /nfs/dbraw/zinc/18/09/72/1269180972.db2.gz YQPAMAWNECTYSM-LULLPPNCSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958418 1269279763 /nfs/dbraw/zinc/27/97/63/1269279763.db2.gz MWHJDLWTAKCUSP-AEFFLSMTSA-N 2 1 373.501 0.297 20 0 FCADMP CC[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)C1 ZINC001564725408 1269431121 /nfs/dbraw/zinc/43/11/21/1269431121.db2.gz KJXWQOLCLORKSH-MGNMYUMUSA-N 2 1 365.522 0.806 20 0 FCADMP COCCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001342853393 1269644726 /nfs/dbraw/zinc/64/47/26/1269644726.db2.gz IPKMMPKCVFUDCQ-CYBMUJFWSA-N 2 1 366.466 0.330 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568196091 1269721737 /nfs/dbraw/zinc/72/17/37/1269721737.db2.gz QNZBHDCRRLPVPA-NXHRZFHOSA-N 2 1 360.502 0.810 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCCC3)CCC2)CC[N@H+]1C ZINC001570105363 1269840455 /nfs/dbraw/zinc/84/04/55/1269840455.db2.gz SFUPNKLZCBTTSG-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001343391171 1269892963 /nfs/dbraw/zinc/89/29/63/1269892963.db2.gz DLSFTNIIFNIKFK-IBGZPJMESA-N 2 1 360.458 0.122 20 0 FCADMP O=C(N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580581629 1278522665 /nfs/dbraw/zinc/52/26/65/1278522665.db2.gz NRMDBWGXJUECFZ-INIZCTEOSA-N 2 1 351.491 0.329 20 0 FCADMP O=C(NC[C@@]1(O)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001580635363 1278599033 /nfs/dbraw/zinc/59/90/33/1278599033.db2.gz NLXGMUGCIDUZEG-DOTOQJQBSA-N 2 1 353.413 0.984 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574039148 1271022867 /nfs/dbraw/zinc/02/28/67/1271022867.db2.gz RFBVRMOPZUWROQ-XJKCOSOUSA-N 2 1 372.477 0.577 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574255531 1271125768 /nfs/dbraw/zinc/12/57/68/1271125768.db2.gz PYZZZSLOVQGYLR-HNNXBMFYSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574260730 1271130795 /nfs/dbraw/zinc/13/07/95/1271130795.db2.gz VGWZKBKMNWOKBW-UHFFFAOYSA-N 2 1 357.462 0.755 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574260340 1271132368 /nfs/dbraw/zinc/13/23/68/1271132368.db2.gz FPYDGNMDQLXZRD-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574264835 1271141645 /nfs/dbraw/zinc/14/16/45/1271141645.db2.gz PUJFWMGBBIHQIC-IYBDPMFKSA-N 2 1 357.462 0.944 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288938 1271164710 /nfs/dbraw/zinc/16/47/10/1271164710.db2.gz UXDYJZHKDKUWPD-XJKSGUPXSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594738 1271393359 /nfs/dbraw/zinc/39/33/59/1271393359.db2.gz AQSDMHOZGAXBLN-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594738 1271393367 /nfs/dbraw/zinc/39/33/67/1271393367.db2.gz AQSDMHOZGAXBLN-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598981 1271401230 /nfs/dbraw/zinc/40/12/30/1271401230.db2.gz UHGCFCSILDJJAU-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598981 1271401235 /nfs/dbraw/zinc/40/12/35/1271401235.db2.gz UHGCFCSILDJJAU-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574672215 1271476058 /nfs/dbraw/zinc/47/60/58/1271476058.db2.gz UVLQRKAZESZMLX-ZIAGYGMSSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870930 1271622208 /nfs/dbraw/zinc/62/22/08/1271622208.db2.gz FHYKICNVBAWSLC-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574896185 1271659223 /nfs/dbraw/zinc/65/92/23/1271659223.db2.gz BVXAPDGDLQKCSX-UKRRQHHQSA-N 2 1 357.462 0.803 20 0 FCADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001575216464 1271796730 /nfs/dbraw/zinc/79/67/30/1271796730.db2.gz SPTAJMQFZZZYOJ-GASCZTMLSA-N 2 1 352.479 0.938 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001580661575 1278663583 /nfs/dbraw/zinc/66/35/83/1278663583.db2.gz QOGPTPCNFNXIPF-OALUTQOASA-N 2 1 357.502 0.950 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419483 1272075495 /nfs/dbraw/zinc/07/54/95/1272075495.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCc2c[nH]nn2)C1 ZINC001575419483 1272075506 /nfs/dbraw/zinc/07/55/06/1272075506.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575419483 1272075517 /nfs/dbraw/zinc/07/55/17/1272075517.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419483 1272075529 /nfs/dbraw/zinc/07/55/29/1272075529.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419483 1272075540 /nfs/dbraw/zinc/07/55/40/1272075540.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001575419483 1272075549 /nfs/dbraw/zinc/07/55/49/1272075549.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575419483 1272075561 /nfs/dbraw/zinc/07/55/61/1272075561.db2.gz APVTYEFIUFJRPP-WMZOPIPTSA-N 2 1 364.494 0.163 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565850 1272200868 /nfs/dbraw/zinc/20/08/68/1272200868.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565850 1272200871 /nfs/dbraw/zinc/20/08/71/1272200871.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565850 1272200877 /nfs/dbraw/zinc/20/08/77/1272200877.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2)[NH+]1CCN(c2ccccc2)CC1 ZINC001576028627 1272734218 /nfs/dbraw/zinc/73/42/18/1272734218.db2.gz FNZKSPKGXUCQGI-BBTUJRGHSA-N 2 1 372.513 0.939 20 0 FCADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058791 1272794228 /nfs/dbraw/zinc/79/42/28/1272794228.db2.gz PTFLTXOSFGPOPG-CABCVRRESA-N 2 1 364.494 0.427 20 0 FCADMP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2)[C@H](c1ccccc1)[NH+](C)C ZINC001576221855 1272993197 /nfs/dbraw/zinc/99/31/97/1272993197.db2.gz UQTLMOGHGXTGEE-AAJLLMFJSA-N 2 1 365.499 0.428 20 0 FCADMP CC1(C)C(=O)N(Cc2ccccc2)CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC001576366340 1273189399 /nfs/dbraw/zinc/18/93/99/1273189399.db2.gz WCEQQIDQQFNVQU-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP CC1(C)C(=O)N(Cc2ccccc2)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC001576366340 1273189405 /nfs/dbraw/zinc/18/94/05/1273189405.db2.gz WCEQQIDQQFNVQU-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1[NH3+] ZINC001576822865 1273743336 /nfs/dbraw/zinc/74/33/36/1273743336.db2.gz AZWPWJPTELPOAY-OWCLPIDISA-N 2 1 371.489 0.844 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1[NH3+] ZINC001576822865 1273743342 /nfs/dbraw/zinc/74/33/42/1273743342.db2.gz AZWPWJPTELPOAY-OWCLPIDISA-N 2 1 371.489 0.844 20 0 FCADMP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001576822744 1273744381 /nfs/dbraw/zinc/74/43/81/1273744381.db2.gz AIOLGBHJRNMMBC-IIAWOOMASA-N 2 1 374.493 0.183 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCc1c[nH]nn1 ZINC001576833765 1273760839 /nfs/dbraw/zinc/76/08/39/1273760839.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCc1c[nH]nn1 ZINC001576833765 1273760847 /nfs/dbraw/zinc/76/08/47/1273760847.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCc1c[nH]nn1 ZINC001576833765 1273760852 /nfs/dbraw/zinc/76/08/52/1273760852.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[N@H+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCc1cn[nH]n1 ZINC001576833765 1273760858 /nfs/dbraw/zinc/76/08/58/1273760858.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCc1cn[nH]n1 ZINC001576833765 1273760862 /nfs/dbraw/zinc/76/08/62/1273760862.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576833765 1273760868 /nfs/dbraw/zinc/76/08/68/1273760868.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCc1cn[nH]n1 ZINC001576833765 1273760875 /nfs/dbraw/zinc/76/08/75/1273760875.db2.gz JJFHFTTUZHCFGD-SJORKVTESA-N 2 1 364.494 0.429 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850002 1273799911 /nfs/dbraw/zinc/79/99/11/1273799911.db2.gz NZJPLQXRMWJPLR-KFWWJZLASA-N 2 1 361.494 0.464 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576884755 1273874172 /nfs/dbraw/zinc/87/41/72/1273874172.db2.gz ZOARXWXGXQIMRR-BFHRDPOASA-N 2 1 362.478 0.529 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnn[nH]3)C2)[C@@H](c2ccccc2)C1 ZINC001576890441 1273881963 /nfs/dbraw/zinc/88/19/63/1273881963.db2.gz VESLZJSPMDDLNP-NXHRZFHOSA-N 2 1 354.458 0.841 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnn[nH]3)C2)[C@@H](c2ccccc2)C1 ZINC001576890441 1273881968 /nfs/dbraw/zinc/88/19/68/1273881968.db2.gz VESLZJSPMDDLNP-NXHRZFHOSA-N 2 1 354.458 0.841 20 0 FCADMP CC[C@@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001576967577 1273991775 /nfs/dbraw/zinc/99/17/75/1273991775.db2.gz SSZYWRWGHUNKGV-RLFYNMQTSA-N 2 1 364.494 0.384 20 0 FCADMP CC[C@@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001576967577 1273991778 /nfs/dbraw/zinc/99/17/78/1273991778.db2.gz SSZYWRWGHUNKGV-RLFYNMQTSA-N 2 1 364.494 0.384 20 0 FCADMP CCCC[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)CC1 ZINC001577444565 1274411141 /nfs/dbraw/zinc/41/11/41/1274411141.db2.gz ASWYGPDXUMUEHZ-GASCZTMLSA-N 2 1 363.510 0.541 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577550529 1274489958 /nfs/dbraw/zinc/48/99/58/1274489958.db2.gz JVIXISCWWOQDKA-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554816 1274497499 /nfs/dbraw/zinc/49/74/99/1274497499.db2.gz VPWLHGGURBPOTF-ZDUSSCGKSA-N 2 1 358.450 0.286 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577561194 1274510209 /nfs/dbraw/zinc/51/02/09/1274510209.db2.gz SHSXPFFRJPEOTR-NSHDSACASA-N 2 1 351.480 0.864 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568272 1274528070 /nfs/dbraw/zinc/52/80/70/1274528070.db2.gz OFAFEDALRRRFOF-CQSZACIVSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577568079 1274528215 /nfs/dbraw/zinc/52/82/15/1274528215.db2.gz MEQYFKYAMNZILW-KGLIPLIRSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568698 1274529879 /nfs/dbraw/zinc/52/98/79/1274529879.db2.gz VKZBFRUCNMQAKS-CQSZACIVSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574356 1274541037 /nfs/dbraw/zinc/54/10/37/1274541037.db2.gz XGZKTHVLHCPUID-ZDUSSCGKSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664836 1274677343 /nfs/dbraw/zinc/67/73/43/1274677343.db2.gz JTLHZJWTMZSEQT-ZDUSSCGKSA-N 2 1 358.450 0.334 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667432 1274686252 /nfs/dbraw/zinc/68/62/52/1274686252.db2.gz CZHJADFJUPKPJN-HNNXBMFYSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670617 1274700425 /nfs/dbraw/zinc/70/04/25/1274700425.db2.gz XIHHNKCLJGQFQP-XJKSGUPXSA-N 2 1 370.461 0.571 20 0 FCADMP CC[N@@H+](CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@H](C(N)=O)C1)C(C)C ZINC001577731129 1274805845 /nfs/dbraw/zinc/80/58/45/1274805845.db2.gz HORQDGVGRGOFRH-SOUVJXGZSA-N 2 1 363.510 0.525 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763952 1274848899 /nfs/dbraw/zinc/84/88/99/1274848899.db2.gz NABGZRMTKOHYPK-HIFRSBDPSA-N 2 1 361.494 0.499 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH2+]C)C[C@@H]1C ZINC001577780947 1274876615 /nfs/dbraw/zinc/87/66/15/1274876615.db2.gz HRNZVISHNVIBMV-CABCVRRESA-N 2 1 363.510 0.652 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849162 1274983228 /nfs/dbraw/zinc/98/32/28/1274983228.db2.gz DYKSGFJQUJOGGV-CYBMUJFWSA-N 2 1 360.466 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577852355 1274995108 /nfs/dbraw/zinc/99/51/08/1274995108.db2.gz PEMAGCOBGUWCOT-HNNXBMFYSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855576 1275005369 /nfs/dbraw/zinc/00/53/69/1275005369.db2.gz JVQQOLXOVSPHLM-ZDUSSCGKSA-N 2 1 358.450 0.428 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855833 1275009805 /nfs/dbraw/zinc/00/98/05/1275009805.db2.gz RDKZZKJSMKZVMF-AWEZNQCLSA-N 2 1 372.477 0.676 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577856382 1275012382 /nfs/dbraw/zinc/01/23/82/1275012382.db2.gz XQCFCENQUUOFIA-ZFWWWQNUSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577859502 1275018359 /nfs/dbraw/zinc/01/83/59/1275018359.db2.gz JKTQDQRPBPUUMO-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577859502 1275018372 /nfs/dbraw/zinc/01/83/72/1275018372.db2.gz JKTQDQRPBPUUMO-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577859502 1275018381 /nfs/dbraw/zinc/01/83/81/1275018381.db2.gz JKTQDQRPBPUUMO-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577859502 1275018389 /nfs/dbraw/zinc/01/83/89/1275018389.db2.gz JKTQDQRPBPUUMO-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577863489 1275037950 /nfs/dbraw/zinc/03/79/50/1275037950.db2.gz WOEOPKGSEYUYGJ-LLVKDONJSA-N 2 1 351.480 0.864 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866362 1275041653 /nfs/dbraw/zinc/04/16/53/1275041653.db2.gz FWHHIXBJZXYZED-AWEZNQCLSA-N 2 1 372.477 0.936 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577866870 1275047330 /nfs/dbraw/zinc/04/73/30/1275047330.db2.gz NZIGBYPGDLWRBX-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577866870 1275047337 /nfs/dbraw/zinc/04/73/37/1275047337.db2.gz NZIGBYPGDLWRBX-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCOCC3)c1 ZINC001577881077 1275079188 /nfs/dbraw/zinc/07/91/88/1275079188.db2.gz IIAYKHYYAGXKPQ-HZPDHXFCSA-N 2 1 353.488 0.971 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952496 1275174720 /nfs/dbraw/zinc/17/47/20/1275174720.db2.gz NLCCKBXMOBBPOV-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952496 1275174725 /nfs/dbraw/zinc/17/47/25/1275174725.db2.gz NLCCKBXMOBBPOV-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952496 1275174736 /nfs/dbraw/zinc/17/47/36/1275174736.db2.gz NLCCKBXMOBBPOV-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CCOCc1nnc(N(C)C2CC[NH2+]CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578127388 1275426247 /nfs/dbraw/zinc/42/62/47/1275426247.db2.gz VHQHMHJDQBMWDT-KRWDZBQOSA-N 2 1 352.483 0.069 20 0 FCADMP CCOCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[NH2+]C ZINC001578132786 1275431148 /nfs/dbraw/zinc/43/11/48/1275431148.db2.gz VPBJMRJAGVBGOA-INIZCTEOSA-N 2 1 366.510 0.583 20 0 FCADMP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001578181873 1275471700 /nfs/dbraw/zinc/47/17/00/1275471700.db2.gz ZAOLZJWPZFIUKQ-UKRRQHHQSA-N 2 1 372.477 0.995 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220016 1275517244 /nfs/dbraw/zinc/51/72/44/1275517244.db2.gz VANULQQQXPNNRB-CZUORRHYSA-N 2 1 370.461 0.571 20 0 FCADMP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1([NH3+])COC1 ZINC001578324047 1275670009 /nfs/dbraw/zinc/67/00/09/1275670009.db2.gz DNBAJEKETSYFNU-UHFFFAOYSA-N 2 1 352.483 0.115 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001578397581 1275773358 /nfs/dbraw/zinc/77/33/58/1275773358.db2.gz RGJXDHINBDKCKB-GJZGRUSLSA-N 2 1 353.511 0.616 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447758 1275837789 /nfs/dbraw/zinc/83/77/89/1275837789.db2.gz VVIMISMRTFBYGJ-KCQAQPDRSA-N 2 1 372.477 0.933 20 0 FCADMP CN(C[C@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578525968 1275959808 /nfs/dbraw/zinc/95/98/08/1275959808.db2.gz VQRCRWYKGQJOMZ-BSXFFOKHSA-N 2 1 364.494 0.022 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@]3(O)CCC[NH2+]CC3)CC2)CC1 ZINC001578532558 1275963174 /nfs/dbraw/zinc/96/31/74/1275963174.db2.gz LMAWUQWJXGTDBZ-LJQANCHMSA-N 3 1 352.523 0.367 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001578532398 1275963221 /nfs/dbraw/zinc/96/32/21/1275963221.db2.gz CSYWXMGRZQUJHM-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@]3(C)C[NH2+]CCO3)s2)CC1 ZINC001578536448 1275965079 /nfs/dbraw/zinc/96/50/79/1275965079.db2.gz TWXYKYDDAZEEAW-QGZVFWFLSA-N 2 1 352.504 0.604 20 0 FCADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@]4(C[NH3+])CO)cc3c2C1 ZINC001578540893 1275968209 /nfs/dbraw/zinc/96/82/09/1275968209.db2.gz GCVGMJYCSFMRCS-IBGZPJMESA-N 2 1 358.442 0.318 20 0 FCADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@]4(C[NH3+])CO)cc3c2C1 ZINC001578540893 1275968213 /nfs/dbraw/zinc/96/82/13/1275968213.db2.gz GCVGMJYCSFMRCS-IBGZPJMESA-N 2 1 358.442 0.318 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001578612085 1276047647 /nfs/dbraw/zinc/04/76/47/1276047647.db2.gz WKHHWZUHVHWBIK-MRXNPFEDSA-N 2 1 373.505 0.574 20 0 FCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001578646745 1276096943 /nfs/dbraw/zinc/09/69/43/1276096943.db2.gz IXLYRVPSUWSJCD-QGZVFWFLSA-N 2 1 350.463 0.605 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578669244 1276122173 /nfs/dbraw/zinc/12/21/73/1276122173.db2.gz KTYKCAYFUKKLOX-CABCVRRESA-N 2 1 372.477 0.480 20 0 FCADMP C[NH2+]CCn1c(C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001578721830 1276195123 /nfs/dbraw/zinc/19/51/23/1276195123.db2.gz UKBJVCXUFZIIRB-KRWDZBQOSA-N 2 1 365.526 0.037 20 0 FCADMP COC(=O)C1([C@]2(O)CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778248 1276261255 /nfs/dbraw/zinc/26/12/55/1276261255.db2.gz RDCXTGATTSDLHP-AYBZRNKSSA-N 2 1 352.475 0.925 20 0 FCADMP COC[C@@H](CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)OC ZINC001578960934 1276505416 /nfs/dbraw/zinc/50/54/16/1276505416.db2.gz QHUWTNBFJIZNKJ-IXDOHACOSA-N 2 1 354.495 0.648 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578970924 1276513980 /nfs/dbraw/zinc/51/39/80/1276513980.db2.gz OMOWKFWULICBQH-STQMWFEESA-N 2 1 368.445 0.393 20 0 FCADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578971503 1276515890 /nfs/dbraw/zinc/51/58/90/1276515890.db2.gz HVYJAYMMXMNLDT-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001578974352 1276522969 /nfs/dbraw/zinc/52/29/69/1276522969.db2.gz LLIYWRIXSFQOOE-CALCHBBNSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578985277 1276551533 /nfs/dbraw/zinc/55/15/33/1276551533.db2.gz FPIOPMRBVBCICW-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578987379 1276557729 /nfs/dbraw/zinc/55/77/29/1276557729.db2.gz BIQZHFHEYJEWAI-ZLDLUXBVSA-N 2 1 356.434 0.439 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578987846 1276559182 /nfs/dbraw/zinc/55/91/82/1276559182.db2.gz UEWUAKVFNRHNKP-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578990751 1276563701 /nfs/dbraw/zinc/56/37/01/1276563701.db2.gz IHGYAZUYIWBEFB-INWMFGNUSA-N 2 1 370.461 0.829 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021271 1276598600 /nfs/dbraw/zinc/59/86/00/1276598600.db2.gz LKLWLZIPKKSPGZ-CVEARBPZSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCC[NH3+])C[C@H]1C ZINC001579039095 1276625031 /nfs/dbraw/zinc/62/50/31/1276625031.db2.gz QXWVXNNAYIOLEJ-MRXNPFEDSA-N 2 1 373.505 0.770 20 0 FCADMP CON(C)c1nnc(C2CC[NH2+]CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001579100647 1276753532 /nfs/dbraw/zinc/75/35/32/1276753532.db2.gz VHPUURUXQOOPPB-UHFFFAOYSA-N 2 1 365.526 0.769 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001579120484 1276794390 /nfs/dbraw/zinc/79/43/90/1276794390.db2.gz FUESTKDREOTVRB-BSDSXHPESA-N 2 1 362.474 0.155 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nn[nH]n1 ZINC001579171358 1276926346 /nfs/dbraw/zinc/92/63/46/1276926346.db2.gz CIVKYOGTDDWYPP-QGZVFWFLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175683 1276933330 /nfs/dbraw/zinc/93/33/30/1276933330.db2.gz CVMZSDZNJZCRFR-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175683 1276933338 /nfs/dbraw/zinc/93/33/38/1276933338.db2.gz CVMZSDZNJZCRFR-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175683 1276933339 /nfs/dbraw/zinc/93/33/39/1276933339.db2.gz CVMZSDZNJZCRFR-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325256 1277141640 /nfs/dbraw/zinc/14/16/40/1277141640.db2.gz GFANYIZVDRFCHC-ZDUSSCGKSA-N 2 1 358.450 0.498 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327004 1277153386 /nfs/dbraw/zinc/15/33/86/1277153386.db2.gz NWHUBEQEGKDTIC-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579327849 1277154259 /nfs/dbraw/zinc/15/42/59/1277154259.db2.gz YALJGPKEHHMFKQ-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579329634 1277159896 /nfs/dbraw/zinc/15/98/96/1277159896.db2.gz SAJLZBUQSLRUHQ-NEPJUHHUSA-N 2 1 361.475 0.570 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331695 1277161252 /nfs/dbraw/zinc/16/12/52/1277161252.db2.gz GQVIJXQYSPAGBY-IUODEOHRSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001579331695 1277161254 /nfs/dbraw/zinc/16/12/54/1277161254.db2.gz GQVIJXQYSPAGBY-IUODEOHRSA-N 2 1 370.461 0.544 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331690 1277162951 /nfs/dbraw/zinc/16/29/51/1277162951.db2.gz GPYIXTPUKBFDOS-DLBZAZTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331627 1277163145 /nfs/dbraw/zinc/16/31/45/1277163145.db2.gz DGHWAZNWCGJCTP-RYUDHWBXSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331627 1277163148 /nfs/dbraw/zinc/16/31/48/1277163148.db2.gz DGHWAZNWCGJCTP-RYUDHWBXSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331627 1277163152 /nfs/dbraw/zinc/16/31/52/1277163152.db2.gz DGHWAZNWCGJCTP-RYUDHWBXSA-N 2 1 361.475 0.570 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333020 1277165390 /nfs/dbraw/zinc/16/53/90/1277165390.db2.gz NRQHUTFTTXFHPT-SGTLLEGYSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334006 1277170848 /nfs/dbraw/zinc/17/08/48/1277170848.db2.gz BBLTYVVJPANWBM-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334006 1277170849 /nfs/dbraw/zinc/17/08/49/1277170849.db2.gz BBLTYVVJPANWBM-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334006 1277170850 /nfs/dbraw/zinc/17/08/50/1277170850.db2.gz BBLTYVVJPANWBM-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334010 1277171045 /nfs/dbraw/zinc/17/10/45/1277171045.db2.gz UJVGBQUHSPVUSV-WBVHZDCISA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579335241 1277173224 /nfs/dbraw/zinc/17/32/24/1277173224.db2.gz OZENQXPOTXYUOK-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579335240 1277173466 /nfs/dbraw/zinc/17/34/66/1277173466.db2.gz OWKLCBBTZATONZ-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579335240 1277173468 /nfs/dbraw/zinc/17/34/68/1277173468.db2.gz OWKLCBBTZATONZ-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335265 1277176729 /nfs/dbraw/zinc/17/67/29/1277176729.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335265 1277176735 /nfs/dbraw/zinc/17/67/35/1277176735.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335265 1277176737 /nfs/dbraw/zinc/17/67/37/1277176737.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339353 1277183658 /nfs/dbraw/zinc/18/36/58/1277183658.db2.gz GBOCUDNOWGEOMH-OAGGEKHMSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339976 1277184675 /nfs/dbraw/zinc/18/46/75/1277184675.db2.gz OTJFDPLCDXACDK-JYJNAYRXSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344443 1277193769 /nfs/dbraw/zinc/19/37/69/1277193769.db2.gz FUFSVBFMIJTRAO-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344443 1277193770 /nfs/dbraw/zinc/19/37/70/1277193770.db2.gz FUFSVBFMIJTRAO-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344443 1277193771 /nfs/dbraw/zinc/19/37/71/1277193771.db2.gz FUFSVBFMIJTRAO-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344443 1277193772 /nfs/dbraw/zinc/19/37/72/1277193772.db2.gz FUFSVBFMIJTRAO-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345081 1277196615 /nfs/dbraw/zinc/19/66/15/1277196615.db2.gz UGLJVYYAHKWNKH-MLGOLLRUSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345467 1277197465 /nfs/dbraw/zinc/19/74/65/1277197465.db2.gz WCLZZTXHORYVEF-SCLBCKFNSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345467 1277197467 /nfs/dbraw/zinc/19/74/67/1277197467.db2.gz WCLZZTXHORYVEF-SCLBCKFNSA-N 2 1 370.461 0.689 20 0 FCADMP CN(CC[N@@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC001579350085 1277205444 /nfs/dbraw/zinc/20/54/44/1277205444.db2.gz XJHSHCJCTCANFF-GOSISDBHSA-N 2 1 373.505 0.858 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354287 1277217600 /nfs/dbraw/zinc/21/76/00/1277217600.db2.gz YCURQHMLKIACMB-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358586 1277227208 /nfs/dbraw/zinc/22/72/08/1277227208.db2.gz GNPABRGBHCBSPS-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358586 1277227211 /nfs/dbraw/zinc/22/72/11/1277227211.db2.gz GNPABRGBHCBSPS-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001579358843 1277230026 /nfs/dbraw/zinc/23/00/26/1277230026.db2.gz KQGJCNFVORTXQN-OAHLLOKOSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359760 1277233391 /nfs/dbraw/zinc/23/33/91/1277233391.db2.gz CLJYCNYBGWTZIX-KBPBESRZSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361654 1277239753 /nfs/dbraw/zinc/23/97/53/1277239753.db2.gz PNKHLTOODXSULP-OWCLPIDISA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363198 1277240923 /nfs/dbraw/zinc/24/09/23/1277240923.db2.gz XMVDKEKUWUOUMB-LZWOXQAQSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363196 1277240938 /nfs/dbraw/zinc/24/09/38/1277240938.db2.gz XMVDKEKUWUOUMB-IIAWOOMASA-N 2 1 355.446 0.698 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001713763939 1287296570 /nfs/dbraw/zinc/29/65/70/1287296570.db2.gz JZPOQLLQSXAHLH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC001713763939 1287296572 /nfs/dbraw/zinc/29/65/72/1287296572.db2.gz JZPOQLLQSXAHLH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC001713763939 1287296573 /nfs/dbraw/zinc/29/65/73/1287296573.db2.gz JZPOQLLQSXAHLH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001579855385 1277936114 /nfs/dbraw/zinc/93/61/14/1277936114.db2.gz IKZRXBKFVNBYSE-HZPDHXFCSA-N 2 1 373.461 0.134 20 0 FCADMP Cc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910860 1277958772 /nfs/dbraw/zinc/95/87/72/1277958772.db2.gz BZOCYUQJWCLJNF-QGZVFWFLSA-N 2 1 352.483 0.253 20 0 FCADMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015149 1277990687 /nfs/dbraw/zinc/99/06/87/1277990687.db2.gz NQNHZEMBXOBXIW-GXTWGEPZSA-N 2 1 373.461 0.421 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001580098100 1278007026 /nfs/dbraw/zinc/00/70/26/1278007026.db2.gz IEYGKAKSELNJAX-JYJNAYRXSA-N 2 1 351.495 0.357 20 0 FCADMP O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001580869808 1279072938 /nfs/dbraw/zinc/07/29/38/1279072938.db2.gz JXRMZECXDAUKMC-SJORKVTESA-N 2 1 353.488 0.425 20 0 FCADMP O=S(=O)(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC001580869789 1279073270 /nfs/dbraw/zinc/07/32/70/1279073270.db2.gz IGKGWFXPSSFGNB-SJORKVTESA-N 2 1 353.488 0.425 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCc1nnn(C(C)(C)C)n1 ZINC001714583316 1287326132 /nfs/dbraw/zinc/32/61/32/1287326132.db2.gz FCQARERGPQZRIH-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCc1nnn(C(C)(C)C)n1 ZINC001714583316 1287326141 /nfs/dbraw/zinc/32/61/41/1287326141.db2.gz FCQARERGPQZRIH-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCc1nnn(C(C)(C)C)n1 ZINC001714583316 1287326148 /nfs/dbraw/zinc/32/61/48/1287326148.db2.gz FCQARERGPQZRIH-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP Cc1cc(N(CCNC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580950210 1279156424 /nfs/dbraw/zinc/15/64/24/1279156424.db2.gz HMSLLZJKGZBWQC-OAHLLOKOSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959908 1279164225 /nfs/dbraw/zinc/16/42/25/1279164225.db2.gz BWZFLUOEMGCIGH-UKRRQHHQSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977841 1279178120 /nfs/dbraw/zinc/17/81/20/1279178120.db2.gz SYEVMAHKLIKEDP-CTASWTNQSA-N 2 1 368.445 0.215 20 0 FCADMP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989481 1279189670 /nfs/dbraw/zinc/18/96/70/1279189670.db2.gz NPKQCMZBKWQTMW-CHWSQXEVSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003526 1279220667 /nfs/dbraw/zinc/22/06/67/1279220667.db2.gz DLNZTXOUOSOXJW-CZUORRHYSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581005709 1279222402 /nfs/dbraw/zinc/22/24/02/1279222402.db2.gz BEIKNKVQUODTNX-ZDUSSCGKSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012717 1279239067 /nfs/dbraw/zinc/23/90/67/1279239067.db2.gz AYXTVZDUTRMFNL-CZUORRHYSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012908 1279239336 /nfs/dbraw/zinc/23/93/36/1279239336.db2.gz DVCDREKMQLFDGL-CYBMUJFWSA-N 2 1 360.466 0.591 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013656 1279240427 /nfs/dbraw/zinc/24/04/27/1279240427.db2.gz UVPIAIPLFBKRRP-JSGCOSHPSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027720 1279260798 /nfs/dbraw/zinc/26/07/98/1279260798.db2.gz VWZZQHCZNSFQMX-JSGCOSHPSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581036070 1279271355 /nfs/dbraw/zinc/27/13/55/1279271355.db2.gz PJRHEOZBCJGZBL-WFASDCNBSA-N 2 1 356.434 0.099 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581562835 1280139230 /nfs/dbraw/zinc/13/92/30/1280139230.db2.gz DLVBEZDEKANUQH-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581565466 1280144693 /nfs/dbraw/zinc/14/46/93/1280144693.db2.gz SNALLTKHKNVSHN-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582053307 1280978808 /nfs/dbraw/zinc/97/88/08/1280978808.db2.gz DJEXGDRAXPLQHJ-CQSZACIVSA-N 2 1 370.461 0.833 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582097760 1281052122 /nfs/dbraw/zinc/05/21/22/1281052122.db2.gz MOMOAUHMMNAXQU-UHFFFAOYSA-N 2 1 369.473 0.997 20 0 FCADMP C[C@]1(CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC[NH2+]C1 ZINC001603802719 1287502446 /nfs/dbraw/zinc/50/24/46/1287502446.db2.gz PFEAOAKHXRDYBP-QAPCUYQASA-N 2 1 355.446 0.559 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)C[C@H]1C[NH3+] ZINC001603847996 1287518019 /nfs/dbraw/zinc/51/80/19/1287518019.db2.gz VQKQPEGYQAWPFV-BARDWOONSA-N 2 1 360.462 0.912 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001604270453 1287597605 /nfs/dbraw/zinc/59/76/05/1287597605.db2.gz FBXPWQFZIFKYNU-MRXNPFEDSA-N 2 1 372.477 0.674 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589630191 1282920999 /nfs/dbraw/zinc/92/09/99/1282920999.db2.gz PEJCDQRUXJYZLW-INIZCTEOSA-N 2 1 372.477 0.722 20 0 FCADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590113342 1283224920 /nfs/dbraw/zinc/22/49/20/1283224920.db2.gz QZKFMGKZPYIQRP-HUUCEWRRSA-N 2 1 355.446 0.558 20 0 FCADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@H]1C[NH3+] ZINC001590190694 1283294241 /nfs/dbraw/zinc/29/42/41/1283294241.db2.gz NIZCEMBQTZJPNM-DJZPMSPPSA-N 2 1 369.473 0.885 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001590196166 1283302618 /nfs/dbraw/zinc/30/26/18/1283302618.db2.gz DGFZCHFUXMVDAD-DJSGYFEHSA-N 2 1 355.446 0.652 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001590196166 1283302628 /nfs/dbraw/zinc/30/26/28/1283302628.db2.gz DGFZCHFUXMVDAD-DJSGYFEHSA-N 2 1 355.446 0.652 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001590270640 1283395578 /nfs/dbraw/zinc/39/55/78/1283395578.db2.gz GFNRLVNEGWFRPV-LBPRGKRZSA-N 2 1 361.425 0.553 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001590270722 1283395592 /nfs/dbraw/zinc/39/55/92/1283395592.db2.gz KETXTCVYJCIRKF-GFCCVEGCSA-N 2 1 361.425 0.553 20 0 FCADMP CC1CC[NH+](CCNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001590271362 1283399147 /nfs/dbraw/zinc/39/91/47/1283399147.db2.gz HSQZLNHLGGFNFO-KRWDZBQOSA-N 2 1 369.473 0.902 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1 ZINC001719069217 1287652220 /nfs/dbraw/zinc/65/22/20/1287652220.db2.gz HBFPAFVOOGXINA-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495039 1283623393 /nfs/dbraw/zinc/62/33/93/1283623393.db2.gz KSRXEZWTHDRHFY-BZUAXINKSA-N 2 1 366.506 0.031 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001590734095 1283769816 /nfs/dbraw/zinc/76/98/16/1283769816.db2.gz XWCWCLMDLFIMEI-HNNXBMFYSA-N 2 1 372.477 0.750 20 0 FCADMP C[N@@H+](CCc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001591121720 1284196843 /nfs/dbraw/zinc/19/68/43/1284196843.db2.gz UTQIDUPOVPSHHY-HNNXBMFYSA-N 2 1 357.462 0.538 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCCCCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175599 1284266285 /nfs/dbraw/zinc/26/62/85/1284266285.db2.gz QGTXSXXQNQSKOZ-CQSZACIVSA-N 2 1 372.477 0.724 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187346 1284299200 /nfs/dbraw/zinc/29/92/00/1284299200.db2.gz QJWBOJLVCLNTIU-KZSQQDEKSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187537 1284300584 /nfs/dbraw/zinc/30/05/84/1284300584.db2.gz YFDLOCFGRINKFH-YPQKKHBXSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196012 1284316527 /nfs/dbraw/zinc/31/65/27/1284316527.db2.gz ZVKLCBUJMGQMSW-PMPSAXMXSA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196012 1284316536 /nfs/dbraw/zinc/31/65/36/1284316536.db2.gz ZVKLCBUJMGQMSW-PMPSAXMXSA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196012 1284316542 /nfs/dbraw/zinc/31/65/42/1284316542.db2.gz ZVKLCBUJMGQMSW-PMPSAXMXSA-N 2 1 358.446 0.490 20 0 FCADMP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001604707667 1287743908 /nfs/dbraw/zinc/74/39/08/1287743908.db2.gz CGSVJXRQXSRIOZ-UHFFFAOYSA-N 2 1 374.493 0.922 20 0 FCADMP Cc1cc(N2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001568 1285051550 /nfs/dbraw/zinc/05/15/50/1285051550.db2.gz CHIMTUNUJTYFIY-ZFWWWQNUSA-N 2 1 370.461 0.701 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1)N1CC[NH2+]CC1 ZINC001592784113 1285707133 /nfs/dbraw/zinc/70/71/33/1285707133.db2.gz VHGCWAOPOWQQAN-QGZVFWFLSA-N 2 1 369.473 0.553 20 0 FCADMP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001593511060 1286187831 /nfs/dbraw/zinc/18/78/31/1286187831.db2.gz FGMXKXQOJAIVLL-OFQRWUPVSA-N 2 1 358.446 0.680 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1C ZINC001704208927 1286195287 /nfs/dbraw/zinc/19/52/87/1286195287.db2.gz QNLDYNXVDHJIBZ-GDBMZVCRSA-N 2 1 370.457 0.796 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001707224906 1287074107 /nfs/dbraw/zinc/07/41/07/1287074107.db2.gz UILXUWAGQVENIK-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001707224906 1287074112 /nfs/dbraw/zinc/07/41/12/1287074112.db2.gz UILXUWAGQVENIK-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001604854728 1287800135 /nfs/dbraw/zinc/80/01/35/1287800135.db2.gz UCBFQUSALRVFCK-IHRRRGAJSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860092 1287800990 /nfs/dbraw/zinc/80/09/90/1287800990.db2.gz DCAXXWFUYVERQE-CJNGLKHVSA-N 2 1 370.461 0.428 20 0 FCADMP Cc1cc(NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605726677 1288063691 /nfs/dbraw/zinc/06/36/91/1288063691.db2.gz JYNRTFQZBQMTLK-CZUORRHYSA-N 2 1 370.461 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1C ZINC001721107062 1288292902 /nfs/dbraw/zinc/29/29/02/1288292902.db2.gz ODSFEFXIFVRBQS-GDBMZVCRSA-N 2 1 370.457 0.796 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001606477600 1288338556 /nfs/dbraw/zinc/33/85/56/1288338556.db2.gz MIPXEPYQGYOJFP-LZWOXQAQSA-N 2 1 353.430 0.121 20 0 FCADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829863 1288430302 /nfs/dbraw/zinc/43/03/02/1288430302.db2.gz MYFRFKUJIQIBDI-LSDHHAIUSA-N 2 1 372.477 0.206 20 0 FCADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829863 1288430303 /nfs/dbraw/zinc/43/03/03/1288430303.db2.gz MYFRFKUJIQIBDI-LSDHHAIUSA-N 2 1 372.477 0.206 20 0 FCADMP O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CSC[NH2+]1 ZINC001606675594 1288435115 /nfs/dbraw/zinc/43/51/15/1288435115.db2.gz NYJMKEXDTJMRRK-OAHLLOKOSA-N 2 1 373.486 0.610 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001725012795 1288458707 /nfs/dbraw/zinc/45/87/07/1288458707.db2.gz RHXJRLUDWSGZQN-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001725012795 1288458708 /nfs/dbraw/zinc/45/87/08/1288458708.db2.gz RHXJRLUDWSGZQN-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP COc1ccc(F)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732646999 1288588339 /nfs/dbraw/zinc/58/83/39/1288588339.db2.gz WMEPFBHKRGZELZ-UHOFOFEASA-N 2 1 353.438 0.741 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC[C@@H]3C)CC2)CC[N@H+]1C ZINC001733245901 1288604579 /nfs/dbraw/zinc/60/45/79/1288604579.db2.gz WBICKEPNZUXFFS-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2)nn1 ZINC001733255566 1288606271 /nfs/dbraw/zinc/60/62/71/1288606271.db2.gz FMIUGQKIPPSMKK-MSOLQXFVSA-N 2 1 368.485 0.899 20 0 FCADMP Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2)nn1 ZINC001733255566 1288606280 /nfs/dbraw/zinc/60/62/80/1288606280.db2.gz FMIUGQKIPPSMKK-MSOLQXFVSA-N 2 1 368.485 0.899 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574587 1288619526 /nfs/dbraw/zinc/61/95/26/1288619526.db2.gz YYHZLMUSJWJHQK-MDMSPXHWSA-N 2 1 364.534 0.972 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574587 1288619534 /nfs/dbraw/zinc/61/95/34/1288619534.db2.gz YYHZLMUSJWJHQK-MDMSPXHWSA-N 2 1 364.534 0.972 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574587 1288619540 /nfs/dbraw/zinc/61/95/40/1288619540.db2.gz YYHZLMUSJWJHQK-MDMSPXHWSA-N 2 1 364.534 0.972 20 0 FCADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607099023 1288661109 /nfs/dbraw/zinc/66/11/09/1288661109.db2.gz CXSMIEKNOUXAEX-HNNXBMFYSA-N 2 1 351.414 0.862 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001736232055 1289210889 /nfs/dbraw/zinc/21/08/89/1289210889.db2.gz SLVCNSDJQSMNDL-SQNIBIBYSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001736232055 1289210895 /nfs/dbraw/zinc/21/08/95/1289210895.db2.gz SLVCNSDJQSMNDL-SQNIBIBYSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC001736232055 1289210899 /nfs/dbraw/zinc/21/08/99/1289210899.db2.gz SLVCNSDJQSMNDL-SQNIBIBYSA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC001736233840 1289212140 /nfs/dbraw/zinc/21/21/40/1289212140.db2.gz YWDIFDGEOQUGNZ-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001691876342 1289331403 /nfs/dbraw/zinc/33/14/03/1289331403.db2.gz APDDJQIAIRWVQT-PQEBFOHHSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCCS(C)(=O)=O ZINC001691976491 1289355455 /nfs/dbraw/zinc/35/54/55/1289355455.db2.gz RORKBRPECKJAJG-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCCS(C)(=O)=O ZINC001691976491 1289355464 /nfs/dbraw/zinc/35/54/64/1289355464.db2.gz RORKBRPECKJAJG-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001692182517 1289420318 /nfs/dbraw/zinc/42/03/18/1289420318.db2.gz IBGNIQAMXBVETN-GOEBONIOSA-N 2 1 364.494 0.164 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001692182517 1289420321 /nfs/dbraw/zinc/42/03/21/1289420321.db2.gz IBGNIQAMXBVETN-GOEBONIOSA-N 2 1 364.494 0.164 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001692196618 1289426710 /nfs/dbraw/zinc/42/67/10/1289426710.db2.gz JYMUPXHXMPVENU-XHSDSOJGSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001692196618 1289426714 /nfs/dbraw/zinc/42/67/14/1289426714.db2.gz JYMUPXHXMPVENU-XHSDSOJGSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1CCN1CCNC1=O ZINC001692240536 1289435436 /nfs/dbraw/zinc/43/54/36/1289435436.db2.gz NCJDIIYLUKLPPC-SJORKVTESA-N 2 1 365.522 0.857 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692265325 1289439111 /nfs/dbraw/zinc/43/91/11/1289439111.db2.gz WFYNPFDLLKJXCI-HLLBOEOZSA-N 2 1 368.497 0.725 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001692267119 1289439956 /nfs/dbraw/zinc/43/99/56/1289439956.db2.gz FAPCTASBFDZFQJ-RYRKJORJSA-N 2 1 352.523 0.879 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692289130 1289444669 /nfs/dbraw/zinc/44/46/69/1289444669.db2.gz KGVTWJVNDRPHJJ-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001692289130 1289444671 /nfs/dbraw/zinc/44/46/71/1289444671.db2.gz KGVTWJVNDRPHJJ-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001692289130 1289444674 /nfs/dbraw/zinc/44/46/74/1289444674.db2.gz KGVTWJVNDRPHJJ-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441345 1289554919 /nfs/dbraw/zinc/55/49/19/1289554919.db2.gz KRVUGDYKUBTYFC-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441345 1289554923 /nfs/dbraw/zinc/55/49/23/1289554923.db2.gz KRVUGDYKUBTYFC-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@H](C[NH+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699441345 1289554929 /nfs/dbraw/zinc/55/49/29/1289554929.db2.gz KRVUGDYKUBTYFC-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@H](C[NH+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699441345 1289554933 /nfs/dbraw/zinc/55/49/33/1289554933.db2.gz KRVUGDYKUBTYFC-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCNC(=O)NC(C)C)CC2)CC[N@H+]1C ZINC001699652150 1289559740 /nfs/dbraw/zinc/55/97/40/1289559740.db2.gz WSOBYJKPDVWHCU-LSDHHAIUSA-N 2 1 353.511 0.663 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001700195986 1289585156 /nfs/dbraw/zinc/58/51/56/1289585156.db2.gz PPIBPMFYDAEHII-HUUCEWRRSA-N 2 1 362.478 0.536 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001700195986 1289585164 /nfs/dbraw/zinc/58/51/64/1289585164.db2.gz PPIBPMFYDAEHII-HUUCEWRRSA-N 2 1 362.478 0.536 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)Nc2cnccn2)CC[NH+]1C ZINC001700195986 1289585170 /nfs/dbraw/zinc/58/51/70/1289585170.db2.gz PPIBPMFYDAEHII-HUUCEWRRSA-N 2 1 362.478 0.536 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)Nc2cnccn2)CC[NH+]1C ZINC001700195986 1289585181 /nfs/dbraw/zinc/58/51/81/1289585181.db2.gz PPIBPMFYDAEHII-HUUCEWRRSA-N 2 1 362.478 0.536 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001616946019 1289802532 /nfs/dbraw/zinc/80/25/32/1289802532.db2.gz CJEIYDSWESZKPW-LSDHHAIUSA-N 2 1 352.483 0.286 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001616946019 1289802544 /nfs/dbraw/zinc/80/25/44/1289802544.db2.gz CJEIYDSWESZKPW-LSDHHAIUSA-N 2 1 352.483 0.286 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC001618747623 1289933765 /nfs/dbraw/zinc/93/37/65/1289933765.db2.gz FSAXBBPEBJDYDT-HNNXBMFYSA-N 2 1 360.495 0.796 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC001618747623 1289933779 /nfs/dbraw/zinc/93/37/79/1289933779.db2.gz FSAXBBPEBJDYDT-HNNXBMFYSA-N 2 1 360.495 0.796 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001739585224 1290198868 /nfs/dbraw/zinc/19/88/68/1290198868.db2.gz XNZFCVNSZGOKIL-BRWVUGGUSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741840061 1290561663 /nfs/dbraw/zinc/56/16/63/1290561663.db2.gz FWPWZCSHNGRCKD-WBVHZDCISA-N 2 1 371.489 0.811 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741840061 1290561670 /nfs/dbraw/zinc/56/16/70/1290561670.db2.gz FWPWZCSHNGRCKD-WBVHZDCISA-N 2 1 371.489 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001752941365 1290616080 /nfs/dbraw/zinc/61/60/80/1290616080.db2.gz HNCQBTOBMMGBST-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C(N)=O)c2)CC[N@H+]1C ZINC001754882487 1290634282 /nfs/dbraw/zinc/63/42/82/1290634282.db2.gz FREQLPYLNJHYCI-RHSMWYFYSA-N 2 1 362.474 0.036 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001756775159 1290663606 /nfs/dbraw/zinc/66/36/06/1290663606.db2.gz VZIXSQAEQJZWHN-NVXWUHKLSA-N 2 1 359.474 0.807 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001756775159 1290663616 /nfs/dbraw/zinc/66/36/16/1290663616.db2.gz VZIXSQAEQJZWHN-NVXWUHKLSA-N 2 1 359.474 0.807 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960034 1290670291 /nfs/dbraw/zinc/67/02/91/1290670291.db2.gz FNPTYROIOIHJLR-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960034 1290670297 /nfs/dbraw/zinc/67/02/97/1290670297.db2.gz FNPTYROIOIHJLR-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960034 1290670306 /nfs/dbraw/zinc/67/03/06/1290670306.db2.gz FNPTYROIOIHJLR-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960034 1290670317 /nfs/dbraw/zinc/67/03/17/1290670317.db2.gz FNPTYROIOIHJLR-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C[C@H]1C ZINC001757092519 1290713938 /nfs/dbraw/zinc/71/39/38/1290713938.db2.gz HGHJZAPWAHARSG-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C[C@H]1C ZINC001757092519 1290713943 /nfs/dbraw/zinc/71/39/43/1290713943.db2.gz HGHJZAPWAHARSG-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001757092519 1290713950 /nfs/dbraw/zinc/71/39/50/1290713950.db2.gz HGHJZAPWAHARSG-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001757092519 1290713954 /nfs/dbraw/zinc/71/39/54/1290713954.db2.gz HGHJZAPWAHARSG-ZACQAIPSSA-N 2 1 368.522 0.401 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001757360539 1290759954 /nfs/dbraw/zinc/75/99/54/1290759954.db2.gz ACTPNEWFBZXMCE-DOTOQJQBSA-N 2 1 361.490 0.934 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001757474235 1290774679 /nfs/dbraw/zinc/77/46/79/1290774679.db2.gz ZWANWAQBBMEGPD-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](CC)C1CCN(c2nnc(C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001764970525 1290887441 /nfs/dbraw/zinc/88/74/41/1290887441.db2.gz MUFXIEFCLKQOSS-SFHVURJKSA-N 2 1 350.511 0.964 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001646019717 1291054012 /nfs/dbraw/zinc/05/40/12/1291054012.db2.gz FESWVUHNSPUORS-LBPRGKRZSA-N 2 1 369.432 0.578 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001646019716 1291054172 /nfs/dbraw/zinc/05/41/72/1291054172.db2.gz FESWVUHNSPUORS-GFCCVEGCSA-N 2 1 369.432 0.578 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001655650329 1291480500 /nfs/dbraw/zinc/48/05/00/1291480500.db2.gz IAYHQRXPNCWIFO-DLBZAZTESA-N 2 1 360.506 0.965 20 0 FCADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cn(CC(N)=O)nn3)cc2)CC1 ZINC001657942986 1291617524 /nfs/dbraw/zinc/61/75/24/1291617524.db2.gz KWLDHVDHEILIAI-UHFFFAOYSA-N 2 1 358.446 0.526 20 0 FCADMP CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001667627395 1291942462 /nfs/dbraw/zinc/94/24/62/1291942462.db2.gz RWOOVUDIUZFXLM-ARFHVFGLSA-N 2 1 361.490 0.830 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC001674099779 1292132142 /nfs/dbraw/zinc/13/21/42/1292132142.db2.gz OQGCAHWCNBIHTN-UHFFFAOYSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782428 1292281674 /nfs/dbraw/zinc/28/16/74/1292281674.db2.gz JBQLVXNPQZWOPO-SJORKVTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782428 1292281677 /nfs/dbraw/zinc/28/16/77/1292281677.db2.gz JBQLVXNPQZWOPO-SJORKVTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782428 1292281683 /nfs/dbraw/zinc/28/16/83/1292281683.db2.gz JBQLVXNPQZWOPO-SJORKVTESA-N 2 1 355.527 0.016 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001685106366 1292429821 /nfs/dbraw/zinc/42/98/21/1292429821.db2.gz JDPKCGNNOSBETG-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001685106366 1292429826 /nfs/dbraw/zinc/42/98/26/1292429826.db2.gz JDPKCGNNOSBETG-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001685106366 1292429832 /nfs/dbraw/zinc/42/98/32/1292429832.db2.gz JDPKCGNNOSBETG-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001685620533 1292575044 /nfs/dbraw/zinc/57/50/44/1292575044.db2.gz ZJIDFVTUWDEJNC-BZSNNMDCSA-N 2 1 368.522 0.510 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001689076215 1294597003 /nfs/dbraw/zinc/59/70/03/1294597003.db2.gz SBFQVKHPTAEBTE-FVQBIDKESA-N 2 1 366.510 0.967 20 0 FCADMP C[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@@H]1CCC[NH2+]CC(N)=O ZINC001689132947 1294621346 /nfs/dbraw/zinc/62/13/46/1294621346.db2.gz MRPPLGBLRFLKLT-MDZRGWNJSA-N 2 1 350.507 0.955 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCN1CCNC1=O ZINC001689184669 1294653406 /nfs/dbraw/zinc/65/34/06/1294653406.db2.gz OGFUHOQNXITPPC-LSDHHAIUSA-N 2 1 351.495 0.323 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001689234827 1294694734 /nfs/dbraw/zinc/69/47/34/1294694734.db2.gz PAJZASRHUOCXAF-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001689234827 1294694740 /nfs/dbraw/zinc/69/47/40/1294694740.db2.gz PAJZASRHUOCXAF-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001689234827 1294694746 /nfs/dbraw/zinc/69/47/46/1294694746.db2.gz PAJZASRHUOCXAF-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001689239759 1294701898 /nfs/dbraw/zinc/70/18/98/1294701898.db2.gz ZHDNXCWBWATAJG-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001689239759 1294701906 /nfs/dbraw/zinc/70/19/06/1294701906.db2.gz ZHDNXCWBWATAJG-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001689239759 1294701912 /nfs/dbraw/zinc/70/19/12/1294701912.db2.gz ZHDNXCWBWATAJG-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](CNC(=O)c1occc1C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001689449071 1294785105 /nfs/dbraw/zinc/78/51/05/1294785105.db2.gz GWKDFQSMIWOHLX-GZBFAFLISA-N 2 1 350.463 0.916 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC001689588122 1294802296 /nfs/dbraw/zinc/80/22/96/1294802296.db2.gz VHASKQLKRJGEIB-HRCADAONSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC001689588122 1294802306 /nfs/dbraw/zinc/80/23/06/1294802306.db2.gz VHASKQLKRJGEIB-HRCADAONSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC001689588122 1294802319 /nfs/dbraw/zinc/80/23/19/1294802319.db2.gz VHASKQLKRJGEIB-HRCADAONSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001690865349 1294891687 /nfs/dbraw/zinc/89/16/87/1294891687.db2.gz JXLXHIJDLYBMNJ-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001691659319 1294907027 /nfs/dbraw/zinc/90/70/27/1294907027.db2.gz FMCXOZADXPPVSC-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691820117 1294928573 /nfs/dbraw/zinc/92/85/73/1294928573.db2.gz XQRDBZJZNDPNKU-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(C(N)=O)n2)c2c1CC[NH2+]C2 ZINC001164684100 719617076 /nfs/dbraw/zinc/61/70/76/719617076.db2.gz MGYSLHBOTFSACO-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(C(N)=O)n2)c2c1CC[NH2+]C2 ZINC001164684100 719617083 /nfs/dbraw/zinc/61/70/83/719617083.db2.gz MGYSLHBOTFSACO-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(-n3cncn3)n2)c2c1CC[NH2+]C2 ZINC001164679558 719643738 /nfs/dbraw/zinc/64/37/38/719643738.db2.gz GLCXRHCXGBJNBB-UHFFFAOYSA-N 2 1 353.434 0.729 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(-n3cncn3)n2)c2c1CC[NH2+]C2 ZINC001164679558 719643745 /nfs/dbraw/zinc/64/37/45/719643745.db2.gz GLCXRHCXGBJNBB-UHFFFAOYSA-N 2 1 353.434 0.729 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164719324 720220732 /nfs/dbraw/zinc/22/07/32/720220732.db2.gz RLZHJSNKIABRHV-FQEVSTJZSA-N 2 1 373.501 0.392 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164719324 720220745 /nfs/dbraw/zinc/22/07/45/720220745.db2.gz RLZHJSNKIABRHV-FQEVSTJZSA-N 2 1 373.501 0.392 20 0 FCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@H+]3C2)cn1 ZINC001164740899 720806694 /nfs/dbraw/zinc/80/66/94/720806694.db2.gz AWIGVWWUTGURBK-CABCVRRESA-N 2 1 353.430 0.295 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]2C1 ZINC001164852062 720857382 /nfs/dbraw/zinc/85/73/82/720857382.db2.gz CAEVCRWTYKYULF-UKRRQHHQSA-N 2 1 362.430 0.586 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]2C1 ZINC001164852062 720857385 /nfs/dbraw/zinc/85/73/85/720857385.db2.gz CAEVCRWTYKYULF-UKRRQHHQSA-N 2 1 362.430 0.586 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164752084 720943970 /nfs/dbraw/zinc/94/39/70/720943970.db2.gz NAYMDXIAVGBOKV-UHFFFAOYSA-N 2 1 371.445 0.893 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866889 721059410 /nfs/dbraw/zinc/05/94/10/721059410.db2.gz GPJLXDKTLNTTKN-ZWKOTPCHSA-N 2 1 366.469 0.997 20 0 FCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164868818 721070078 /nfs/dbraw/zinc/07/00/78/721070078.db2.gz QSCLRTQBXQFLNV-CVEARBPZSA-N 2 1 352.442 0.955 20 0 FCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164868818 721070081 /nfs/dbraw/zinc/07/00/81/721070081.db2.gz QSCLRTQBXQFLNV-CVEARBPZSA-N 2 1 352.442 0.955 20 0 FCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164868820 721070135 /nfs/dbraw/zinc/07/01/35/721070135.db2.gz QSCLRTQBXQFLNV-HOTGVXAUSA-N 2 1 352.442 0.955 20 0 FCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164868820 721070139 /nfs/dbraw/zinc/07/01/39/721070139.db2.gz QSCLRTQBXQFLNV-HOTGVXAUSA-N 2 1 352.442 0.955 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164765739 721163865 /nfs/dbraw/zinc/16/38/65/721163865.db2.gz IDYRALTXHANCFL-NVXWUHKLSA-N 2 1 353.474 0.814 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926030 721871687 /nfs/dbraw/zinc/87/16/87/721871687.db2.gz PYTANNMYYFEKRS-SJORKVTESA-N 2 1 359.522 0.619 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164926030 721871688 /nfs/dbraw/zinc/87/16/88/721871688.db2.gz PYTANNMYYFEKRS-SJORKVTESA-N 2 1 359.522 0.619 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070258418 837639682 /nfs/dbraw/zinc/63/96/82/837639682.db2.gz UCNHIYCARLFEAL-OAGGEKHMSA-N 2 1 352.458 0.711 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001070378155 837650732 /nfs/dbraw/zinc/65/07/32/837650732.db2.gz BJBIQOMDFROELJ-GMBSWORKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070926236 837702756 /nfs/dbraw/zinc/70/27/56/837702756.db2.gz BVXDTERIIAATJT-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070926236 837702765 /nfs/dbraw/zinc/70/27/65/837702765.db2.gz BVXDTERIIAATJT-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCCCO2)C3)O1 ZINC001072850455 837745700 /nfs/dbraw/zinc/74/57/00/837745700.db2.gz YLONQLOTOAUVTK-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCCCO2)C3)O1 ZINC001072850455 837745708 /nfs/dbraw/zinc/74/57/08/837745708.db2.gz YLONQLOTOAUVTK-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCCCO2)C3)O1 ZINC001072850455 837745718 /nfs/dbraw/zinc/74/57/18/837745718.db2.gz YLONQLOTOAUVTK-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCCCO2)C3)O1 ZINC001072850455 837745726 /nfs/dbraw/zinc/74/57/26/837745726.db2.gz YLONQLOTOAUVTK-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001099322437 844021604 /nfs/dbraw/zinc/02/16/04/844021604.db2.gz RJSHDJOZQKFJQN-YNEHKIRRSA-N 2 1 353.385 0.068 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnns3)C2)C1 ZINC001099403306 844042984 /nfs/dbraw/zinc/04/29/84/844042984.db2.gz JSSYXJHILWJIFR-QRTARXTBSA-N 2 1 365.503 0.587 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnns3)C2)C1 ZINC001099403306 844042992 /nfs/dbraw/zinc/04/29/92/844042992.db2.gz JSSYXJHILWJIFR-QRTARXTBSA-N 2 1 365.503 0.587 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171565 844086721 /nfs/dbraw/zinc/08/67/21/844086721.db2.gz FJXCUJUIOIQNHU-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171565 844086733 /nfs/dbraw/zinc/08/67/33/844086733.db2.gz FJXCUJUIOIQNHU-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171565 844086742 /nfs/dbraw/zinc/08/67/42/844086742.db2.gz FJXCUJUIOIQNHU-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171565 844086751 /nfs/dbraw/zinc/08/67/51/844086751.db2.gz FJXCUJUIOIQNHU-INMHGKMJSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171495 844088001 /nfs/dbraw/zinc/08/80/01/844088001.db2.gz CJVIQCLKARRQNR-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171495 844088009 /nfs/dbraw/zinc/08/80/09/844088009.db2.gz CJVIQCLKARRQNR-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171495 844088018 /nfs/dbraw/zinc/08/80/18/844088018.db2.gz CJVIQCLKARRQNR-GJYPPUQNSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187525 844097546 /nfs/dbraw/zinc/09/75/46/844097546.db2.gz RMXLJAJTMKOVRQ-CPUCHLNUSA-N 2 1 361.433 0.379 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187525 844097559 /nfs/dbraw/zinc/09/75/59/844097559.db2.gz RMXLJAJTMKOVRQ-CPUCHLNUSA-N 2 1 361.433 0.379 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187525 844097568 /nfs/dbraw/zinc/09/75/68/844097568.db2.gz RMXLJAJTMKOVRQ-CPUCHLNUSA-N 2 1 361.433 0.379 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187525 844097579 /nfs/dbraw/zinc/09/75/79/844097579.db2.gz RMXLJAJTMKOVRQ-CPUCHLNUSA-N 2 1 361.433 0.379 20 0 FCADMP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379656527 836049847 /nfs/dbraw/zinc/04/98/47/836049847.db2.gz PKHXBOWEZHQEAZ-RDJZCZTQSA-N 2 1 352.504 0.779 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187766 836067047 /nfs/dbraw/zinc/06/70/47/836067047.db2.gz YPPKBXRXFMZENY-DOTOQJQBSA-N 2 1 352.504 0.637 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268574 844126748 /nfs/dbraw/zinc/12/67/48/844126748.db2.gz JDSMWLRHGFJDRC-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268574 844126756 /nfs/dbraw/zinc/12/67/56/844126756.db2.gz JDSMWLRHGFJDRC-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268574 844126763 /nfs/dbraw/zinc/12/67/63/844126763.db2.gz JDSMWLRHGFJDRC-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000745780044 836151208 /nfs/dbraw/zinc/15/12/08/836151208.db2.gz HRVIIHAVFJZQHD-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339660 844152194 /nfs/dbraw/zinc/15/21/94/844152194.db2.gz AKSYLRAYWPPBAX-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339660 844152199 /nfs/dbraw/zinc/15/21/99/844152199.db2.gz AKSYLRAYWPPBAX-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339660 844152203 /nfs/dbraw/zinc/15/22/03/844152203.db2.gz AKSYLRAYWPPBAX-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339660 844152206 /nfs/dbraw/zinc/15/22/06/844152206.db2.gz AKSYLRAYWPPBAX-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348883 844154329 /nfs/dbraw/zinc/15/43/29/844154329.db2.gz MGKIQKBNOQMSGH-MJGOQNOKSA-N 2 1 353.507 0.772 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363372 844160726 /nfs/dbraw/zinc/16/07/26/844160726.db2.gz UNDWZDXCZNGXJX-FCEWJHQRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363372 844160731 /nfs/dbraw/zinc/16/07/31/844160731.db2.gz UNDWZDXCZNGXJX-FCEWJHQRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363372 844160735 /nfs/dbraw/zinc/16/07/35/844160735.db2.gz UNDWZDXCZNGXJX-FCEWJHQRSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101400065 844174864 /nfs/dbraw/zinc/17/48/64/844174864.db2.gz FGNDSECJDNHVPH-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101400489 844175512 /nfs/dbraw/zinc/17/55/12/844175512.db2.gz YPRZUJCSIAEXQS-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC001101432410 844185530 /nfs/dbraw/zinc/18/55/30/844185530.db2.gz QTVWNZJXOKBDMW-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435568 844185666 /nfs/dbraw/zinc/18/56/66/844185666.db2.gz XDIQJIDIUHGGPR-FCEWJHQRSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443272 844187116 /nfs/dbraw/zinc/18/71/16/844187116.db2.gz CAJHWXWISVZAQX-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443272 844187124 /nfs/dbraw/zinc/18/71/24/844187124.db2.gz CAJHWXWISVZAQX-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443272 844187126 /nfs/dbraw/zinc/18/71/26/844187126.db2.gz CAJHWXWISVZAQX-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101438749 844187206 /nfs/dbraw/zinc/18/72/06/844187206.db2.gz RDQZGEGXZGPCFA-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101438749 844187215 /nfs/dbraw/zinc/18/72/15/844187215.db2.gz RDQZGEGXZGPCFA-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001101438749 844187221 /nfs/dbraw/zinc/18/72/21/844187221.db2.gz RDQZGEGXZGPCFA-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440971 844187297 /nfs/dbraw/zinc/18/72/97/844187297.db2.gz DSPOALPTHCEZLZ-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440971 844187300 /nfs/dbraw/zinc/18/73/00/844187300.db2.gz DSPOALPTHCEZLZ-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440971 844187308 /nfs/dbraw/zinc/18/73/08/844187308.db2.gz DSPOALPTHCEZLZ-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461572 844193442 /nfs/dbraw/zinc/19/34/42/844193442.db2.gz JACIPASAMYQVCN-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461572 844193446 /nfs/dbraw/zinc/19/34/46/844193446.db2.gz JACIPASAMYQVCN-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001062241574 836729469 /nfs/dbraw/zinc/72/94/69/836729469.db2.gz WSLZXQSPMUOUMF-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494192 836771676 /nfs/dbraw/zinc/77/16/76/836771676.db2.gz DMEOMUXQULMCOA-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494192 836771680 /nfs/dbraw/zinc/77/16/80/836771680.db2.gz DMEOMUXQULMCOA-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101474086 844199400 /nfs/dbraw/zinc/19/94/00/844199400.db2.gz GYLMACMXZCNPBM-MJGOQNOKSA-N 2 1 353.507 0.652 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476394 844200680 /nfs/dbraw/zinc/20/06/80/844200680.db2.gz QPAGBHVWYMPIDI-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476394 844200692 /nfs/dbraw/zinc/20/06/92/844200692.db2.gz QPAGBHVWYMPIDI-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001101476394 844200704 /nfs/dbraw/zinc/20/07/04/844200704.db2.gz QPAGBHVWYMPIDI-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065208031 836822272 /nfs/dbraw/zinc/82/22/72/836822272.db2.gz ZBSKUUUUASMGDX-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065210142 836823869 /nfs/dbraw/zinc/82/38/69/836823869.db2.gz AYPHSCKJZDIIQV-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065210142 836823873 /nfs/dbraw/zinc/82/38/73/836823873.db2.gz AYPHSCKJZDIIQV-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065210142 836823881 /nfs/dbraw/zinc/82/38/81/836823881.db2.gz AYPHSCKJZDIIQV-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CNC(=O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101542679 844209827 /nfs/dbraw/zinc/20/98/27/844209827.db2.gz DHSARKHBNVAJOD-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C(C)(C)C[NH2+]CCCO)CC2)O1 ZINC001101550499 844210723 /nfs/dbraw/zinc/21/07/23/844210723.db2.gz LRYFPHWPDUUMGD-NVXWUHKLSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C(C)(C)C[NH2+]CCCO)CC2)O1 ZINC001101550499 844210726 /nfs/dbraw/zinc/21/07/26/844210726.db2.gz LRYFPHWPDUUMGD-NVXWUHKLSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887540 837923343 /nfs/dbraw/zinc/92/33/43/837923343.db2.gz SIELQWAZGRIVME-YQQAZPJKSA-N 2 1 369.531 0.438 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887540 837923351 /nfs/dbraw/zinc/92/33/51/837923351.db2.gz SIELQWAZGRIVME-YQQAZPJKSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887540 837923358 /nfs/dbraw/zinc/92/33/58/837923358.db2.gz SIELQWAZGRIVME-YQQAZPJKSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001075887540 837923364 /nfs/dbraw/zinc/92/33/64/837923364.db2.gz SIELQWAZGRIVME-YQQAZPJKSA-N 2 1 369.531 0.438 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3csc(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001077027603 838226952 /nfs/dbraw/zinc/22/69/52/838226952.db2.gz MFIOSSQYQBGMNP-YLFCFFPRSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3csc(C)n3)C[C@H]2O)CC[N@H+]1C ZINC001077027603 838226960 /nfs/dbraw/zinc/22/69/60/838226960.db2.gz MFIOSSQYQBGMNP-YLFCFFPRSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3csc(C)n3)C[C@H]2O)CC[NH+]1C ZINC001077027603 838226972 /nfs/dbraw/zinc/22/69/72/838226972.db2.gz MFIOSSQYQBGMNP-YLFCFFPRSA-N 2 1 366.531 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3csc(C)n3)C[C@H]2O)CC[NH+]1C ZINC001077027603 838226980 /nfs/dbraw/zinc/22/69/80/838226980.db2.gz MFIOSSQYQBGMNP-YLFCFFPRSA-N 2 1 366.531 0.886 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982690 844360530 /nfs/dbraw/zinc/36/05/30/844360530.db2.gz DHRAEBQKRJTFFZ-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982690 844360519 /nfs/dbraw/zinc/36/05/19/844360519.db2.gz DHRAEBQKRJTFFZ-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982690 844360509 /nfs/dbraw/zinc/36/05/09/844360509.db2.gz DHRAEBQKRJTFFZ-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015537 844373886 /nfs/dbraw/zinc/37/38/86/844373886.db2.gz JQCBKWGHUWKICB-OAGGEKHMSA-N 2 1 358.502 0.877 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001102015709 844375203 /nfs/dbraw/zinc/37/52/03/844375203.db2.gz ORWWPWAGQPWZGM-FMKPAKJESA-N 2 1 354.474 0.679 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051858 844397384 /nfs/dbraw/zinc/39/73/84/844397384.db2.gz QGFPYJXSEAYOLI-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051858 844397395 /nfs/dbraw/zinc/39/73/95/844397395.db2.gz QGFPYJXSEAYOLI-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051858 844397405 /nfs/dbraw/zinc/39/74/05/844397405.db2.gz QGFPYJXSEAYOLI-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046338 844394513 /nfs/dbraw/zinc/39/45/13/844394513.db2.gz ZCMCCHFVDIBLNE-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077675590 839104002 /nfs/dbraw/zinc/10/40/02/839104002.db2.gz SJCZNMMUZBEJQS-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077675590 839104007 /nfs/dbraw/zinc/10/40/07/839104007.db2.gz SJCZNMMUZBEJQS-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077675590 839104013 /nfs/dbraw/zinc/10/40/13/839104013.db2.gz SJCZNMMUZBEJQS-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678939 839105563 /nfs/dbraw/zinc/10/55/63/839105563.db2.gz BYJBTGJGBVRUKH-CGTJXYLNSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678939 839105570 /nfs/dbraw/zinc/10/55/70/839105570.db2.gz BYJBTGJGBVRUKH-CGTJXYLNSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001077678939 839105577 /nfs/dbraw/zinc/10/55/77/839105577.db2.gz BYJBTGJGBVRUKH-CGTJXYLNSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077777645 839152414 /nfs/dbraw/zinc/15/24/14/839152414.db2.gz UVDRMRFIUGIOHG-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077777645 839152424 /nfs/dbraw/zinc/15/24/24/839152424.db2.gz UVDRMRFIUGIOHG-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077777645 839152431 /nfs/dbraw/zinc/15/24/31/839152431.db2.gz UVDRMRFIUGIOHG-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079145 844406966 /nfs/dbraw/zinc/40/69/66/844406966.db2.gz XTWLOVZZMRMCSU-ZACQAIPSSA-N 2 1 353.507 0.554 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102081023 844407602 /nfs/dbraw/zinc/40/76/02/844407602.db2.gz IWSDCILAWASADX-KBUPBQIOSA-N 2 1 363.449 0.671 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102081023 844407606 /nfs/dbraw/zinc/40/76/06/844407606.db2.gz IWSDCILAWASADX-KBUPBQIOSA-N 2 1 363.449 0.671 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001102081023 844407609 /nfs/dbraw/zinc/40/76/09/844407609.db2.gz IWSDCILAWASADX-KBUPBQIOSA-N 2 1 363.449 0.671 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001102081023 844407614 /nfs/dbraw/zinc/40/76/14/844407614.db2.gz IWSDCILAWASADX-KBUPBQIOSA-N 2 1 363.449 0.671 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090901 844410332 /nfs/dbraw/zinc/41/03/32/844410332.db2.gz JCTOAAJQKLLPCY-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090901 844410336 /nfs/dbraw/zinc/41/03/36/844410336.db2.gz JCTOAAJQKLLPCY-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090901 844410340 /nfs/dbraw/zinc/41/03/40/844410340.db2.gz JCTOAAJQKLLPCY-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001102104455 844416713 /nfs/dbraw/zinc/41/67/13/844416713.db2.gz XCVLMEFNLSGXDW-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102104455 844416718 /nfs/dbraw/zinc/41/67/18/844416718.db2.gz XCVLMEFNLSGXDW-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102104455 844416724 /nfs/dbraw/zinc/41/67/24/844416724.db2.gz XCVLMEFNLSGXDW-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109721 844418582 /nfs/dbraw/zinc/41/85/82/844418582.db2.gz ZIAFFAZWFGIDKY-MCIONIFRSA-N 2 1 354.451 0.041 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109721 844418585 /nfs/dbraw/zinc/41/85/85/844418585.db2.gz ZIAFFAZWFGIDKY-MCIONIFRSA-N 2 1 354.451 0.041 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175733 839380987 /nfs/dbraw/zinc/38/09/87/839380987.db2.gz KHHLXAISXHBBCK-NUEKZKHPSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175733 839381006 /nfs/dbraw/zinc/38/10/06/839381006.db2.gz KHHLXAISXHBBCK-NUEKZKHPSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175733 839381018 /nfs/dbraw/zinc/38/10/18/839381018.db2.gz KHHLXAISXHBBCK-NUEKZKHPSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175733 839381028 /nfs/dbraw/zinc/38/10/28/839381028.db2.gz KHHLXAISXHBBCK-NUEKZKHPSA-N 2 1 351.422 0.318 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157236 844431676 /nfs/dbraw/zinc/43/16/76/844431676.db2.gz CZYCJQNEZBDBHT-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157236 844431682 /nfs/dbraw/zinc/43/16/82/844431682.db2.gz CZYCJQNEZBDBHT-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206022 839401379 /nfs/dbraw/zinc/40/13/79/839401379.db2.gz MIWLKGMNSJBHDR-BZUAXINKSA-N 2 1 353.488 0.173 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206022 839401383 /nfs/dbraw/zinc/40/13/83/839401383.db2.gz MIWLKGMNSJBHDR-BZUAXINKSA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206022 839401387 /nfs/dbraw/zinc/40/13/87/839401387.db2.gz MIWLKGMNSJBHDR-BZUAXINKSA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206022 839401390 /nfs/dbraw/zinc/40/13/90/839401390.db2.gz MIWLKGMNSJBHDR-BZUAXINKSA-N 2 1 353.488 0.173 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210008 839407493 /nfs/dbraw/zinc/40/74/93/839407493.db2.gz RAMJFCLBYXTFPH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210008 839407498 /nfs/dbraw/zinc/40/74/98/839407498.db2.gz RAMJFCLBYXTFPH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210008 839407504 /nfs/dbraw/zinc/40/75/04/839407504.db2.gz RAMJFCLBYXTFPH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)C1 ZINC001078210008 839407509 /nfs/dbraw/zinc/40/75/09/839407509.db2.gz RAMJFCLBYXTFPH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC001078403696 839456777 /nfs/dbraw/zinc/45/67/77/839456777.db2.gz GHRSRGJYGJMMCQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC001078403931 839457211 /nfs/dbraw/zinc/45/72/11/839457211.db2.gz MSERKMVGEJJKGZ-MGPQQGTHSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC001078403931 839457212 /nfs/dbraw/zinc/45/72/12/839457212.db2.gz MSERKMVGEJJKGZ-MGPQQGTHSA-N 2 1 353.492 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC001078404358 839458115 /nfs/dbraw/zinc/45/81/15/839458115.db2.gz ZAPLYZUIYKRCQR-QLFBSQMISA-N 2 1 367.519 0.976 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC001078404358 839458122 /nfs/dbraw/zinc/45/81/22/839458122.db2.gz ZAPLYZUIYKRCQR-QLFBSQMISA-N 2 1 367.519 0.976 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273932 839504097 /nfs/dbraw/zinc/50/40/97/839504097.db2.gz XKROFSCMKACPKJ-YESZJQIVSA-N 2 1 351.491 0.260 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079717410 839580174 /nfs/dbraw/zinc/58/01/74/839580174.db2.gz HJSPQMCJZPUTBV-DDBAPUKQSA-N 2 1 353.507 0.816 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079806414 839598656 /nfs/dbraw/zinc/59/86/56/839598656.db2.gz GAPCYODKJRDVHB-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079806414 839598664 /nfs/dbraw/zinc/59/86/64/839598664.db2.gz GAPCYODKJRDVHB-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079806414 839598667 /nfs/dbraw/zinc/59/86/67/839598667.db2.gz GAPCYODKJRDVHB-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844978 839605932 /nfs/dbraw/zinc/60/59/32/839605932.db2.gz IUACSSLLPZLXEB-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844978 839605940 /nfs/dbraw/zinc/60/59/40/839605940.db2.gz IUACSSLLPZLXEB-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844978 839605945 /nfs/dbraw/zinc/60/59/45/839605945.db2.gz IUACSSLLPZLXEB-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001079844978 839605951 /nfs/dbraw/zinc/60/59/51/839605951.db2.gz IUACSSLLPZLXEB-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017244 839647078 /nfs/dbraw/zinc/64/70/78/839647078.db2.gz CKVBWGMCJGZTGI-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017244 839647080 /nfs/dbraw/zinc/64/70/80/839647080.db2.gz CKVBWGMCJGZTGI-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017244 839647084 /nfs/dbraw/zinc/64/70/84/839647084.db2.gz CKVBWGMCJGZTGI-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080017244 839647087 /nfs/dbraw/zinc/64/70/87/839647087.db2.gz CKVBWGMCJGZTGI-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102294358 844459556 /nfs/dbraw/zinc/45/95/56/844459556.db2.gz UYPKGFDNESRMPX-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290431 844459607 /nfs/dbraw/zinc/45/96/07/844459607.db2.gz DQXMSRRFNRKNGR-GDBMZVCRSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290922 844459828 /nfs/dbraw/zinc/45/98/28/844459828.db2.gz ZAARTIIHNPJAGR-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080142877 839673015 /nfs/dbraw/zinc/67/30/15/839673015.db2.gz MCWVGJPVJRADFW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080142877 839673022 /nfs/dbraw/zinc/67/30/22/839673022.db2.gz MCWVGJPVJRADFW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080142877 839673026 /nfs/dbraw/zinc/67/30/26/839673026.db2.gz MCWVGJPVJRADFW-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290662 844460079 /nfs/dbraw/zinc/46/00/79/844460079.db2.gz PHQJPIHXEDFJEL-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)cc1=O ZINC001102320668 844466260 /nfs/dbraw/zinc/46/62/60/844466260.db2.gz NNGGXYAWNUNPML-ZIAGYGMSSA-N 2 1 351.447 0.784 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935538 839837016 /nfs/dbraw/zinc/83/70/16/839837016.db2.gz YFEFNPTXOYABMZ-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935538 839837029 /nfs/dbraw/zinc/83/70/29/839837029.db2.gz YFEFNPTXOYABMZ-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935538 839837037 /nfs/dbraw/zinc/83/70/37/839837037.db2.gz YFEFNPTXOYABMZ-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935538 839837047 /nfs/dbraw/zinc/83/70/47/839837047.db2.gz YFEFNPTXOYABMZ-VNQPRFMTSA-N 2 1 357.520 0.199 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369824 844477222 /nfs/dbraw/zinc/47/72/22/844477222.db2.gz IARQTRRAZCYLGM-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369824 844477227 /nfs/dbraw/zinc/47/72/27/844477227.db2.gz IARQTRRAZCYLGM-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369824 844477233 /nfs/dbraw/zinc/47/72/33/844477233.db2.gz IARQTRRAZCYLGM-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370081 844477253 /nfs/dbraw/zinc/47/72/53/844477253.db2.gz QCBFKUVACLIMSB-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370081 844477258 /nfs/dbraw/zinc/47/72/58/844477258.db2.gz QCBFKUVACLIMSB-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370081 844477260 /nfs/dbraw/zinc/47/72/60/844477260.db2.gz QCBFKUVACLIMSB-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372806 844478825 /nfs/dbraw/zinc/47/88/25/844478825.db2.gz OQCCUOMYNNDXEI-HBUWYVDXSA-N 2 1 356.486 0.629 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372806 844478835 /nfs/dbraw/zinc/47/88/35/844478835.db2.gz OQCCUOMYNNDXEI-HBUWYVDXSA-N 2 1 356.486 0.629 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372806 844478840 /nfs/dbraw/zinc/47/88/40/844478840.db2.gz OQCCUOMYNNDXEI-HBUWYVDXSA-N 2 1 356.486 0.629 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102382332 844481712 /nfs/dbraw/zinc/48/17/12/844481712.db2.gz YOYBJJKTRQOVFH-KFWWJZLASA-N 2 1 352.479 0.160 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686070 840000054 /nfs/dbraw/zinc/00/00/54/840000054.db2.gz DQFQWNMWCGWIBD-IAGOWNOFSA-N 2 1 351.495 0.920 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001081796246 840034221 /nfs/dbraw/zinc/03/42/21/840034221.db2.gz LMGBCPVREHGCHM-IXDOHACOSA-N 2 1 357.470 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796246 840034228 /nfs/dbraw/zinc/03/42/28/840034228.db2.gz LMGBCPVREHGCHM-IXDOHACOSA-N 2 1 357.470 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796246 840034236 /nfs/dbraw/zinc/03/42/36/840034236.db2.gz LMGBCPVREHGCHM-IXDOHACOSA-N 2 1 357.470 0.805 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102453028 844503657 /nfs/dbraw/zinc/50/36/57/844503657.db2.gz XFUAPAGQEFXYRU-HZPDHXFCSA-N 2 1 351.495 0.779 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001082059582 840167451 /nfs/dbraw/zinc/16/74/51/840167451.db2.gz WGSWHGLCRGLRIS-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001082059582 840167454 /nfs/dbraw/zinc/16/74/54/840167454.db2.gz WGSWHGLCRGLRIS-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001082059582 840167461 /nfs/dbraw/zinc/16/74/61/840167461.db2.gz WGSWHGLCRGLRIS-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468673 844510187 /nfs/dbraw/zinc/51/01/87/844510187.db2.gz UTVVNUJACWOMJF-IAGOWNOFSA-N 2 1 357.495 0.056 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468673 844510191 /nfs/dbraw/zinc/51/01/91/844510191.db2.gz UTVVNUJACWOMJF-IAGOWNOFSA-N 2 1 357.495 0.056 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468311 844510575 /nfs/dbraw/zinc/51/05/75/844510575.db2.gz BWQDAVHKPYENKZ-UKRRQHHQSA-N 2 1 367.519 0.753 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468311 844510589 /nfs/dbraw/zinc/51/05/89/844510589.db2.gz BWQDAVHKPYENKZ-UKRRQHHQSA-N 2 1 367.519 0.753 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468901 844511343 /nfs/dbraw/zinc/51/13/43/844511343.db2.gz FLOKQCSIMQZNGI-SJLPKXTDSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468901 844511346 /nfs/dbraw/zinc/51/13/46/844511346.db2.gz FLOKQCSIMQZNGI-SJLPKXTDSA-N 2 1 353.507 0.819 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095863 840183401 /nfs/dbraw/zinc/18/34/01/840183401.db2.gz MGXVBMOGKWYIEW-RBSFLKMASA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095863 840183404 /nfs/dbraw/zinc/18/34/04/840183404.db2.gz MGXVBMOGKWYIEW-RBSFLKMASA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135070 840204163 /nfs/dbraw/zinc/20/41/63/840204163.db2.gz NMXCLKFHMIPMGY-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135070 840204175 /nfs/dbraw/zinc/20/41/75/840204175.db2.gz NMXCLKFHMIPMGY-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135070 840204185 /nfs/dbraw/zinc/20/41/85/840204185.db2.gz NMXCLKFHMIPMGY-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201242 840235443 /nfs/dbraw/zinc/23/54/43/840235443.db2.gz REZGWHQRSVSBSB-NUEKZKHPSA-N 2 1 354.495 0.010 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201242 840235450 /nfs/dbraw/zinc/23/54/50/840235450.db2.gz REZGWHQRSVSBSB-NUEKZKHPSA-N 2 1 354.495 0.010 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200915 840235695 /nfs/dbraw/zinc/23/56/95/840235695.db2.gz ADFWZBKUJCDSSR-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479922 844519546 /nfs/dbraw/zinc/51/95/46/844519546.db2.gz NYAHBVBWSMTCLI-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326742 840309867 /nfs/dbraw/zinc/30/98/67/840309867.db2.gz PEEXFGKDWXGJJP-BFYDXBDKSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326742 840309880 /nfs/dbraw/zinc/30/98/80/840309880.db2.gz PEEXFGKDWXGJJP-BFYDXBDKSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326742 840309898 /nfs/dbraw/zinc/30/98/98/840309898.db2.gz PEEXFGKDWXGJJP-BFYDXBDKSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326742 840309909 /nfs/dbraw/zinc/30/99/09/840309909.db2.gz PEEXFGKDWXGJJP-BFYDXBDKSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326743 840310295 /nfs/dbraw/zinc/31/02/95/840310295.db2.gz PEEXFGKDWXGJJP-ZMSDIMECSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326743 840310306 /nfs/dbraw/zinc/31/03/06/840310306.db2.gz PEEXFGKDWXGJJP-ZMSDIMECSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326743 840310320 /nfs/dbraw/zinc/31/03/20/840310320.db2.gz PEEXFGKDWXGJJP-ZMSDIMECSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326743 840310335 /nfs/dbraw/zinc/31/03/35/840310335.db2.gz PEEXFGKDWXGJJP-ZMSDIMECSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328718 840313952 /nfs/dbraw/zinc/31/39/52/840313952.db2.gz HXWBAWDVVSXEND-HUUCEWRRSA-N 2 1 350.488 0.597 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328718 840313968 /nfs/dbraw/zinc/31/39/68/840313968.db2.gz HXWBAWDVVSXEND-HUUCEWRRSA-N 2 1 350.488 0.597 20 0 FCADMP CCc1cnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102511128 844541985 /nfs/dbraw/zinc/54/19/85/844541985.db2.gz KJQOLGMNOFTCRC-HUUCEWRRSA-N 2 1 352.479 0.999 20 0 FCADMP CCc1cnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102511128 844541989 /nfs/dbraw/zinc/54/19/89/844541989.db2.gz KJQOLGMNOFTCRC-HUUCEWRRSA-N 2 1 352.479 0.999 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1)[NH+](C)C ZINC001082589230 840477627 /nfs/dbraw/zinc/47/76/27/840477627.db2.gz PXEAPMBYVVUQPW-MGPQQGTHSA-N 2 1 351.499 0.705 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590371 840479282 /nfs/dbraw/zinc/47/92/82/840479282.db2.gz SKSCWFZBXNHXMT-GADXADSLSA-N 2 1 350.463 0.947 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590371 840479287 /nfs/dbraw/zinc/47/92/87/840479287.db2.gz SKSCWFZBXNHXMT-GADXADSLSA-N 2 1 350.463 0.947 20 0 FCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513380 844544331 /nfs/dbraw/zinc/54/43/31/844544331.db2.gz ICNZMMPCOXFAII-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001082646302 840510646 /nfs/dbraw/zinc/51/06/46/840510646.db2.gz KQFJHLGZXWGSTR-CZUORRHYSA-N 2 1 368.503 0.453 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001082646847 840510730 /nfs/dbraw/zinc/51/07/30/840510730.db2.gz YBMIAYRFLQQCQJ-FVQBIDKESA-N 2 1 368.503 0.453 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001082703214 840529991 /nfs/dbraw/zinc/52/99/91/840529991.db2.gz DGKWVBFMGQZUHN-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001082703214 840529998 /nfs/dbraw/zinc/52/99/98/840529998.db2.gz DGKWVBFMGQZUHN-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082741212 840543062 /nfs/dbraw/zinc/54/30/62/840543062.db2.gz SQMMHBPTPYEXKI-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1)[NH+](C)C ZINC001082747408 840546027 /nfs/dbraw/zinc/54/60/27/840546027.db2.gz QZMPXHNERPYVJU-UPJWGTAASA-N 2 1 358.437 0.820 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807537 840570370 /nfs/dbraw/zinc/57/03/70/840570370.db2.gz NUGIULQSGNXSPK-CXAGYDPISA-N 2 1 350.463 0.950 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102525760 844552690 /nfs/dbraw/zinc/55/26/90/844552690.db2.gz TWISDJDMFZRPTB-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102525760 844552693 /nfs/dbraw/zinc/55/26/93/844552693.db2.gz TWISDJDMFZRPTB-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102525760 844552695 /nfs/dbraw/zinc/55/26/95/844552695.db2.gz TWISDJDMFZRPTB-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001102532712 844555663 /nfs/dbraw/zinc/55/56/63/844555663.db2.gz ASYOECOTVQDPKL-LMMKCTJWSA-N 2 1 353.507 0.819 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C)C1 ZINC001102532712 844555671 /nfs/dbraw/zinc/55/56/71/844555671.db2.gz ASYOECOTVQDPKL-LMMKCTJWSA-N 2 1 353.507 0.819 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H](C)C1 ZINC001102532712 844555679 /nfs/dbraw/zinc/55/56/79/844555679.db2.gz ASYOECOTVQDPKL-LMMKCTJWSA-N 2 1 353.507 0.819 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082921053 840601956 /nfs/dbraw/zinc/60/19/56/840601956.db2.gz SHLMOFBWMZDXKG-VHDGCEQUSA-N 2 1 352.504 0.606 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001082922668 840603993 /nfs/dbraw/zinc/60/39/93/840603993.db2.gz UMRAJSVKWYAKTB-FVQBIDKESA-N 2 1 368.503 0.453 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCOCC3)C2)C1 ZINC001082934796 840614370 /nfs/dbraw/zinc/61/43/70/840614370.db2.gz YNQHTLKKSZDOBV-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCOCC3)C2)C1 ZINC001082934796 840614375 /nfs/dbraw/zinc/61/43/75/840614375.db2.gz YNQHTLKKSZDOBV-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082943697 840616947 /nfs/dbraw/zinc/61/69/47/840616947.db2.gz XUDMOGQXEJHQPC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)CC[N@H+]1C ZINC001083085931 840698462 /nfs/dbraw/zinc/69/84/62/840698462.db2.gz UOSBKKLRUBRJPI-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)CC[NH+]1C ZINC001083085931 840698468 /nfs/dbraw/zinc/69/84/68/840698468.db2.gz UOSBKKLRUBRJPI-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)CC[NH+]1C ZINC001083085931 840698475 /nfs/dbraw/zinc/69/84/75/840698475.db2.gz UOSBKKLRUBRJPI-NRSFXHEJSA-N 2 1 351.491 0.665 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105930 840715375 /nfs/dbraw/zinc/71/53/75/840715375.db2.gz ASRIPUBPAAAWBY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105930 840715384 /nfs/dbraw/zinc/71/53/84/840715384.db2.gz ASRIPUBPAAAWBY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21)C1CCC1 ZINC001083105930 840715391 /nfs/dbraw/zinc/71/53/91/840715391.db2.gz ASRIPUBPAAAWBY-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578282 844573476 /nfs/dbraw/zinc/57/34/76/844573476.db2.gz UEVCFLIJKOUMGN-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578282 844573486 /nfs/dbraw/zinc/57/34/86/844573486.db2.gz UEVCFLIJKOUMGN-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578282 844573491 /nfs/dbraw/zinc/57/34/91/844573491.db2.gz UEVCFLIJKOUMGN-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579954 844574024 /nfs/dbraw/zinc/57/40/24/844574024.db2.gz YWBJGDUKZSFGCG-IXDOHACOSA-N 2 1 350.507 0.683 20 0 FCADMP CC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCOCC4)[C@H]3C2)C1 ZINC001083224595 840813268 /nfs/dbraw/zinc/81/32/68/840813268.db2.gz HNQDBAVLAWSEGJ-ZGUYJTEBSA-N 2 1 351.491 0.666 20 0 FCADMP CC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCOCC4)[C@H]3C2)C1 ZINC001083224595 840813276 /nfs/dbraw/zinc/81/32/76/840813276.db2.gz HNQDBAVLAWSEGJ-ZGUYJTEBSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1)OC ZINC001083224879 840813901 /nfs/dbraw/zinc/81/39/01/840813901.db2.gz UZJIJJRIKUZBGF-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1)OC ZINC001083224879 840813910 /nfs/dbraw/zinc/81/39/10/840813910.db2.gz UZJIJJRIKUZBGF-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234933 840819375 /nfs/dbraw/zinc/81/93/75/840819375.db2.gz CXTNIQHCXJYDNK-ZWKOTPCHSA-N 2 1 351.491 0.975 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083236329 840820847 /nfs/dbraw/zinc/82/08/47/840820847.db2.gz WNNKQVFDYQBVMX-BHYGNILZSA-N 2 1 355.479 0.044 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278988 840862579 /nfs/dbraw/zinc/86/25/79/840862579.db2.gz CDVOTILJXNYXBS-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278988 840862589 /nfs/dbraw/zinc/86/25/89/840862589.db2.gz CDVOTILJXNYXBS-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278988 840862600 /nfs/dbraw/zinc/86/26/00/840862600.db2.gz CDVOTILJXNYXBS-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]32)C1 ZINC001083278988 840862611 /nfs/dbraw/zinc/86/26/11/840862611.db2.gz CDVOTILJXNYXBS-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102601009 844591567 /nfs/dbraw/zinc/59/15/67/844591567.db2.gz GUCODYJVVUQOCC-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102601009 844591574 /nfs/dbraw/zinc/59/15/74/844591574.db2.gz GUCODYJVVUQOCC-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102601009 844591577 /nfs/dbraw/zinc/59/15/77/844591577.db2.gz GUCODYJVVUQOCC-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601460 844591774 /nfs/dbraw/zinc/59/17/74/844591774.db2.gz DLEABGVOLLUOPC-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601460 844591780 /nfs/dbraw/zinc/59/17/80/844591780.db2.gz DLEABGVOLLUOPC-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601460 844591783 /nfs/dbraw/zinc/59/17/83/844591783.db2.gz DLEABGVOLLUOPC-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001102602018 844593589 /nfs/dbraw/zinc/59/35/89/844593589.db2.gz ZISXOBFMSVATCT-RHSMWYFYSA-N 2 1 350.511 0.919 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1 ZINC001102602018 844593594 /nfs/dbraw/zinc/59/35/94/844593594.db2.gz ZISXOBFMSVATCT-RHSMWYFYSA-N 2 1 350.511 0.919 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1 ZINC001102602018 844593599 /nfs/dbraw/zinc/59/35/99/844593599.db2.gz ZISXOBFMSVATCT-RHSMWYFYSA-N 2 1 350.511 0.919 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601771 844594011 /nfs/dbraw/zinc/59/40/11/844594011.db2.gz PBOHPRWZGIYZDZ-JFIYKMOQSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083506296 841092434 /nfs/dbraw/zinc/09/24/34/841092434.db2.gz ZWADZIHCBYYCPI-OAGGEKHMSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083506296 841092448 /nfs/dbraw/zinc/09/24/48/841092448.db2.gz ZWADZIHCBYYCPI-OAGGEKHMSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083506296 841092462 /nfs/dbraw/zinc/09/24/62/841092462.db2.gz ZWADZIHCBYYCPI-OAGGEKHMSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083506296 841092471 /nfs/dbraw/zinc/09/24/71/841092471.db2.gz ZWADZIHCBYYCPI-OAGGEKHMSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083505922 841093541 /nfs/dbraw/zinc/09/35/41/841093541.db2.gz IRSFNEDRUVAGST-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083505922 841093549 /nfs/dbraw/zinc/09/35/49/841093549.db2.gz IRSFNEDRUVAGST-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083505922 841093558 /nfs/dbraw/zinc/09/35/58/841093558.db2.gz IRSFNEDRUVAGST-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523076 841120704 /nfs/dbraw/zinc/12/07/04/841120704.db2.gz LPRSHUCSGDEEBE-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523076 841120707 /nfs/dbraw/zinc/12/07/07/841120707.db2.gz LPRSHUCSGDEEBE-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523076 841120711 /nfs/dbraw/zinc/12/07/11/841120711.db2.gz LPRSHUCSGDEEBE-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001083565386 841177108 /nfs/dbraw/zinc/17/71/08/841177108.db2.gz PILZQDYHGXHTQH-MXASKKJJSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001083565386 841177116 /nfs/dbraw/zinc/17/71/16/841177116.db2.gz PILZQDYHGXHTQH-MXASKKJJSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001083565386 841177121 /nfs/dbraw/zinc/17/71/21/841177121.db2.gz PILZQDYHGXHTQH-MXASKKJJSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001083565386 841177128 /nfs/dbraw/zinc/17/71/28/841177128.db2.gz PILZQDYHGXHTQH-MXASKKJJSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2O)O1 ZINC001083566644 841178329 /nfs/dbraw/zinc/17/83/29/841178329.db2.gz VHQWQSNVMLFZDL-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2O)O1 ZINC001083566644 841178335 /nfs/dbraw/zinc/17/83/35/841178335.db2.gz VHQWQSNVMLFZDL-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2O)O1 ZINC001083566644 841178341 /nfs/dbraw/zinc/17/83/41/841178341.db2.gz VHQWQSNVMLFZDL-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2O)O1 ZINC001083566644 841178347 /nfs/dbraw/zinc/17/83/47/841178347.db2.gz VHQWQSNVMLFZDL-NRSFXHEJSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723391 841359075 /nfs/dbraw/zinc/35/90/75/841359075.db2.gz IFJHOZSEPXADLX-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723391 841359087 /nfs/dbraw/zinc/35/90/87/841359087.db2.gz IFJHOZSEPXADLX-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723391 841359098 /nfs/dbraw/zinc/35/90/98/841359098.db2.gz IFJHOZSEPXADLX-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723391 841359108 /nfs/dbraw/zinc/35/91/08/841359108.db2.gz IFJHOZSEPXADLX-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725979 841366038 /nfs/dbraw/zinc/36/60/38/841366038.db2.gz VYDSCUJGGUBTBZ-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725979 841366054 /nfs/dbraw/zinc/36/60/54/841366054.db2.gz VYDSCUJGGUBTBZ-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725979 841366064 /nfs/dbraw/zinc/36/60/64/841366064.db2.gz VYDSCUJGGUBTBZ-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)C1 ZINC001083725979 841366076 /nfs/dbraw/zinc/36/60/76/841366076.db2.gz VYDSCUJGGUBTBZ-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)C[N@@H+]3CC[C@H](O)C3)(C1)CCC2 ZINC001275800348 861196180 /nfs/dbraw/zinc/19/61/80/861196180.db2.gz CKPKYQCHDZIMSK-RYQLBKOJSA-N 2 1 355.479 0.225 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)C[N@H+]3CC[C@H](O)C3)(C1)CCC2 ZINC001275800348 861196188 /nfs/dbraw/zinc/19/61/88/861196188.db2.gz CKPKYQCHDZIMSK-RYQLBKOJSA-N 2 1 355.479 0.225 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781859 841430708 /nfs/dbraw/zinc/43/07/08/841430708.db2.gz XMWYDVVLIKJWQC-YUELXQCFSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781859 841430712 /nfs/dbraw/zinc/43/07/12/841430712.db2.gz XMWYDVVLIKJWQC-YUELXQCFSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781859 841430717 /nfs/dbraw/zinc/43/07/17/841430717.db2.gz XMWYDVVLIKJWQC-YUELXQCFSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781859 841430722 /nfs/dbraw/zinc/43/07/22/841430722.db2.gz XMWYDVVLIKJWQC-YUELXQCFSA-N 2 1 352.504 0.497 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21)[NH+](C)C ZINC001084427399 841793706 /nfs/dbraw/zinc/79/37/06/841793706.db2.gz GKLTTWDCLVEFOZ-KYJSFNMBSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21)[NH+](C)C ZINC001084427399 841793709 /nfs/dbraw/zinc/79/37/09/841793709.db2.gz GKLTTWDCLVEFOZ-KYJSFNMBSA-N 2 1 350.507 0.726 20 0 FCADMP COCCOCN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877602 861240010 /nfs/dbraw/zinc/24/00/10/861240010.db2.gz DJQZXSLVHQMGKL-SJLPKXTDSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877602 861240025 /nfs/dbraw/zinc/24/00/25/861240025.db2.gz DJQZXSLVHQMGKL-SJLPKXTDSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877602 861240041 /nfs/dbraw/zinc/24/00/41/861240041.db2.gz DJQZXSLVHQMGKL-SJLPKXTDSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877602 861240060 /nfs/dbraw/zinc/24/00/60/861240060.db2.gz DJQZXSLVHQMGKL-SJLPKXTDSA-N 2 1 355.479 0.252 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878397 861241546 /nfs/dbraw/zinc/24/15/46/861241546.db2.gz KNANGPMDTJIJDM-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878397 861241555 /nfs/dbraw/zinc/24/15/55/861241555.db2.gz KNANGPMDTJIJDM-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001275878397 861241566 /nfs/dbraw/zinc/24/15/66/861241566.db2.gz KNANGPMDTJIJDM-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001275878397 861241573 /nfs/dbraw/zinc/24/15/73/861241573.db2.gz KNANGPMDTJIJDM-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275880807 861246257 /nfs/dbraw/zinc/24/62/57/861246257.db2.gz WNANLWLAEIUCRN-LJQANCHMSA-N 3 1 352.523 0.583 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664295 841876689 /nfs/dbraw/zinc/87/66/89/841876689.db2.gz PRSWFONWQSRFLY-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664295 841876694 /nfs/dbraw/zinc/87/66/94/841876694.db2.gz PRSWFONWQSRFLY-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664295 841876699 /nfs/dbraw/zinc/87/66/99/841876699.db2.gz PRSWFONWQSRFLY-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664295 841876706 /nfs/dbraw/zinc/87/67/06/841876706.db2.gz PRSWFONWQSRFLY-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3COCCOC)CC1 ZINC001275880307 861247641 /nfs/dbraw/zinc/24/76/41/861247641.db2.gz UKDAFKFNCDWLBW-UHFFFAOYSA-N 2 1 355.479 0.252 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844444 841932151 /nfs/dbraw/zinc/93/21/51/841932151.db2.gz TZYCIMXLVHHQSD-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844444 841932166 /nfs/dbraw/zinc/93/21/66/841932166.db2.gz TZYCIMXLVHHQSD-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844444 841932178 /nfs/dbraw/zinc/93/21/78/841932178.db2.gz TZYCIMXLVHHQSD-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844444 841932186 /nfs/dbraw/zinc/93/21/86/841932186.db2.gz TZYCIMXLVHHQSD-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851824 841935554 /nfs/dbraw/zinc/93/55/54/841935554.db2.gz SVUCKKXMNKFIKL-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851824 841935557 /nfs/dbraw/zinc/93/55/57/841935557.db2.gz SVUCKKXMNKFIKL-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1)[NH+](C)C ZINC001084970704 841974424 /nfs/dbraw/zinc/97/44/24/841974424.db2.gz QTBAXKUJBWUZNW-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1)[NH+](C)C ZINC001085024930 841993504 /nfs/dbraw/zinc/99/35/04/841993504.db2.gz PLFDDYDPPWXOBM-SOLBZPMBSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1)[NH+](C)C ZINC001085035333 841997209 /nfs/dbraw/zinc/99/72/09/841997209.db2.gz QTBAXKUJBWUZNW-PVAVHDDUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)C1([NH+](C)C)CC1 ZINC001275941729 861264681 /nfs/dbraw/zinc/26/46/81/861264681.db2.gz OOYRWJUSNITQOI-HNAYVOBHSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085394071 842092135 /nfs/dbraw/zinc/09/21/35/842092135.db2.gz UIACRMQLSAZFHU-BZUAXINKSA-N 2 1 351.495 0.370 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)C1 ZINC001085429209 842101852 /nfs/dbraw/zinc/10/18/52/842101852.db2.gz KMKZVIAXLFKUAL-KFWWJZLASA-N 2 1 353.492 0.776 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)C1 ZINC001085429209 842101859 /nfs/dbraw/zinc/10/18/59/842101859.db2.gz KMKZVIAXLFKUAL-KFWWJZLASA-N 2 1 353.492 0.776 20 0 FCADMP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601613 842108529 /nfs/dbraw/zinc/10/85/29/842108529.db2.gz BQMZQCPAGZUXIO-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086120205 842122751 /nfs/dbraw/zinc/12/27/51/842122751.db2.gz PDKVZDKIYVILPX-FIUQPQMISA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086120205 842122757 /nfs/dbraw/zinc/12/27/57/842122757.db2.gz PDKVZDKIYVILPX-FIUQPQMISA-N 2 1 350.463 0.995 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086371312 842128642 /nfs/dbraw/zinc/12/86/42/842128642.db2.gz AYABSCZETKNQBD-OXGONZEZSA-N 2 1 357.520 0.246 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC001086370890 842128727 /nfs/dbraw/zinc/12/87/27/842128727.db2.gz DMVIASAYEGDYJC-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664929 842145600 /nfs/dbraw/zinc/14/56/00/842145600.db2.gz JITZBRQCQRDPQB-LXZKKBNFSA-N 2 1 350.463 0.942 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664929 842145609 /nfs/dbraw/zinc/14/56/09/842145609.db2.gz JITZBRQCQRDPQB-LXZKKBNFSA-N 2 1 350.463 0.942 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001086665235 842146190 /nfs/dbraw/zinc/14/61/90/842146190.db2.gz XORVCFKJUJPNLL-YSVLISHTSA-N 2 1 350.438 0.926 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001086665235 842146197 /nfs/dbraw/zinc/14/61/97/842146197.db2.gz XORVCFKJUJPNLL-YSVLISHTSA-N 2 1 350.438 0.926 20 0 FCADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664794 842146321 /nfs/dbraw/zinc/14/63/21/842146321.db2.gz DUIVDLIQPPSVKM-BFHYXJOUSA-N 2 1 369.897 0.779 20 0 FCADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664794 842146327 /nfs/dbraw/zinc/14/63/27/842146327.db2.gz DUIVDLIQPPSVKM-BFHYXJOUSA-N 2 1 369.897 0.779 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001086875366 842186759 /nfs/dbraw/zinc/18/67/59/842186759.db2.gz PTOZRBQWCORLFM-GVDBMIGSSA-N 2 1 371.547 0.637 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001087038349 842236915 /nfs/dbraw/zinc/23/69/15/842236915.db2.gz BGWNIGWPYJWZNR-BMFZPTHFSA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001087038349 842236927 /nfs/dbraw/zinc/23/69/27/842236927.db2.gz BGWNIGWPYJWZNR-BMFZPTHFSA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087059505 842256018 /nfs/dbraw/zinc/25/60/18/842256018.db2.gz JEOCQJINIDVBCF-CZUORRHYSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087059505 842256030 /nfs/dbraw/zinc/25/60/30/842256030.db2.gz JEOCQJINIDVBCF-CZUORRHYSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087063081 842259468 /nfs/dbraw/zinc/25/94/68/842259468.db2.gz HWQHVVCMVGEOGX-FVQBIDKESA-N 2 1 351.451 0.507 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087100909 842289088 /nfs/dbraw/zinc/28/90/88/842289088.db2.gz KPBPULWNQDDULB-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001087226429 842320438 /nfs/dbraw/zinc/32/04/38/842320438.db2.gz UDBJDVMOVLRAEM-SQNIBIBYSA-N 2 1 353.507 0.962 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087727891 842416366 /nfs/dbraw/zinc/41/63/66/842416366.db2.gz RPBFDWPNOHYROG-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087727891 842416372 /nfs/dbraw/zinc/41/63/72/842416372.db2.gz RPBFDWPNOHYROG-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N1CCC1 ZINC001087727891 842416380 /nfs/dbraw/zinc/41/63/80/842416380.db2.gz RPBFDWPNOHYROG-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N1CCC1 ZINC001087727891 842416388 /nfs/dbraw/zinc/41/63/88/842416388.db2.gz RPBFDWPNOHYROG-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087796816 842434185 /nfs/dbraw/zinc/43/41/85/842434185.db2.gz NRRRBJFFMOCWDK-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087796816 842434189 /nfs/dbraw/zinc/43/41/89/842434189.db2.gz NRRRBJFFMOCWDK-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087796816 842434193 /nfs/dbraw/zinc/43/41/93/842434193.db2.gz NRRRBJFFMOCWDK-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964040 842480924 /nfs/dbraw/zinc/48/09/24/842480924.db2.gz TYCPVCGFLHPNBP-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964040 842480928 /nfs/dbraw/zinc/48/09/28/842480928.db2.gz TYCPVCGFLHPNBP-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087964040 842480931 /nfs/dbraw/zinc/48/09/31/842480931.db2.gz TYCPVCGFLHPNBP-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130301 842538736 /nfs/dbraw/zinc/53/87/36/842538736.db2.gz HJYWAUDCPIXTLU-UAGQMJEPSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)[C@@H]2C)CC[N@@H+]1C ZINC001088578130 842617096 /nfs/dbraw/zinc/61/70/96/842617096.db2.gz IKFBZBJBQQZBJH-SRABZTEZSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)[C@@H]2C)CC[N@H+]1C ZINC001088578130 842617100 /nfs/dbraw/zinc/61/71/00/842617100.db2.gz IKFBZBJBQQZBJH-SRABZTEZSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)[C@@H]2C)CC[NH+]1C ZINC001088578130 842617102 /nfs/dbraw/zinc/61/71/02/842617102.db2.gz IKFBZBJBQQZBJH-SRABZTEZSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)[C@@H]2C)CC[NH+]1C ZINC001088578130 842617107 /nfs/dbraw/zinc/61/71/07/842617107.db2.gz IKFBZBJBQQZBJH-SRABZTEZSA-N 2 1 371.547 0.730 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088579438 842618151 /nfs/dbraw/zinc/61/81/51/842618151.db2.gz HDNTVFQPLBCVCZ-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579438 842618153 /nfs/dbraw/zinc/61/81/53/842618153.db2.gz HDNTVFQPLBCVCZ-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579438 842618156 /nfs/dbraw/zinc/61/81/56/842618156.db2.gz HDNTVFQPLBCVCZ-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001088983518 842735545 /nfs/dbraw/zinc/73/55/45/842735545.db2.gz AWZLDTQDCGEETD-OAGGEKHMSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001088983518 842735548 /nfs/dbraw/zinc/73/55/48/842735548.db2.gz AWZLDTQDCGEETD-OAGGEKHMSA-N 2 1 369.531 0.486 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091686376 843073400 /nfs/dbraw/zinc/07/34/00/843073400.db2.gz FKPVUVUQXJLKRB-OLMMMNRUSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686376 843073412 /nfs/dbraw/zinc/07/34/12/843073412.db2.gz FKPVUVUQXJLKRB-OLMMMNRUSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686376 843073428 /nfs/dbraw/zinc/07/34/28/843073428.db2.gz FKPVUVUQXJLKRB-OLMMMNRUSA-N 2 1 350.507 0.585 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910326 843122713 /nfs/dbraw/zinc/12/27/13/843122713.db2.gz SDZMFHZUUSPPNR-BEFAXECRSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014655 843141006 /nfs/dbraw/zinc/14/10/06/843141006.db2.gz CAQKJLKRBVPEOF-BEFAXECRSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014655 843141013 /nfs/dbraw/zinc/14/10/13/843141013.db2.gz CAQKJLKRBVPEOF-BEFAXECRSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014655 843141020 /nfs/dbraw/zinc/14/10/20/843141020.db2.gz CAQKJLKRBVPEOF-BEFAXECRSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC001092099166 843160885 /nfs/dbraw/zinc/16/08/85/843160885.db2.gz IGXGPVNYYOLLMU-SCTDSRPQSA-N 2 1 351.491 0.526 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC001092099166 843160887 /nfs/dbraw/zinc/16/08/87/843160887.db2.gz IGXGPVNYYOLLMU-SCTDSRPQSA-N 2 1 351.491 0.526 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302244 843182512 /nfs/dbraw/zinc/18/25/12/843182512.db2.gz UZTMGCSRPHAEOI-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302244 843182518 /nfs/dbraw/zinc/18/25/18/843182518.db2.gz UZTMGCSRPHAEOI-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092302244 843182521 /nfs/dbraw/zinc/18/25/21/843182521.db2.gz UZTMGCSRPHAEOI-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093285536 843421048 /nfs/dbraw/zinc/42/10/48/843421048.db2.gz QTYVXHYCKMXJCJ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691457 843456590 /nfs/dbraw/zinc/45/65/90/843456590.db2.gz WRAFBLRSVBWDFN-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691457 843456596 /nfs/dbraw/zinc/45/65/96/843456596.db2.gz WRAFBLRSVBWDFN-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001094110282 843517304 /nfs/dbraw/zinc/51/73/04/843517304.db2.gz DQKAMYRTIISPAY-ZIAGYGMSSA-N 2 1 353.492 0.445 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094219240 843531524 /nfs/dbraw/zinc/53/15/24/843531524.db2.gz GPBNKLPSTGHGOQ-HYVNUMGLSA-N 2 1 371.547 0.447 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)C1 ZINC001094232338 843537234 /nfs/dbraw/zinc/53/72/34/843537234.db2.gz SKEXGMWOIKUHEZ-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)C1 ZINC001094232338 843537243 /nfs/dbraw/zinc/53/72/43/843537243.db2.gz SKEXGMWOIKUHEZ-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCCF)C3)nn2)CC[N@@H+]1C ZINC001094293667 843543579 /nfs/dbraw/zinc/54/35/79/843543579.db2.gz ZCJDATNXGBVAKW-JKSUJKDBSA-N 2 1 352.458 0.841 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCCF)C3)nn2)CC[N@H+]1C ZINC001094293667 843543587 /nfs/dbraw/zinc/54/35/87/843543587.db2.gz ZCJDATNXGBVAKW-JKSUJKDBSA-N 2 1 352.458 0.841 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C(F)(F)F)cn1 ZINC001099223115 843978401 /nfs/dbraw/zinc/97/84/01/843978401.db2.gz FHJBKUIPCIIBIP-MGPQQGTHSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C(F)(F)F)cn1 ZINC001099223115 843978404 /nfs/dbraw/zinc/97/84/04/843978404.db2.gz FHJBKUIPCIIBIP-MGPQQGTHSA-N 2 1 359.396 0.993 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819428 844652313 /nfs/dbraw/zinc/65/23/13/844652313.db2.gz TWJAERYMCGQWDW-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819428 844652316 /nfs/dbraw/zinc/65/23/16/844652316.db2.gz TWJAERYMCGQWDW-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819428 844652319 /nfs/dbraw/zinc/65/23/19/844652319.db2.gz TWJAERYMCGQWDW-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819428 844652322 /nfs/dbraw/zinc/65/23/22/844652322.db2.gz TWJAERYMCGQWDW-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103049738 844689473 /nfs/dbraw/zinc/68/94/73/844689473.db2.gz CESPZXKXZHQUPC-BRWVUGGUSA-N 2 1 361.502 0.749 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085180 844697464 /nfs/dbraw/zinc/69/74/64/844697464.db2.gz JRJJBDWFFIFLLA-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+](C)C ZINC001103407700 844752691 /nfs/dbraw/zinc/75/26/91/844752691.db2.gz PQKMFRFUOQKVTB-IIAWOOMASA-N 2 1 351.499 0.371 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+](C)C ZINC001103407700 844752698 /nfs/dbraw/zinc/75/26/98/844752698.db2.gz PQKMFRFUOQKVTB-IIAWOOMASA-N 2 1 351.499 0.371 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103433963 844757094 /nfs/dbraw/zinc/75/70/94/844757094.db2.gz PLGXOONCYOGCFJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103433963 844757099 /nfs/dbraw/zinc/75/70/99/844757099.db2.gz PLGXOONCYOGCFJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103433963 844757104 /nfs/dbraw/zinc/75/71/04/844757104.db2.gz PLGXOONCYOGCFJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535493 844775257 /nfs/dbraw/zinc/77/52/57/844775257.db2.gz MZAXNDWYDIHPTE-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535493 844775264 /nfs/dbraw/zinc/77/52/64/844775264.db2.gz MZAXNDWYDIHPTE-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103644919 844794860 /nfs/dbraw/zinc/79/48/60/844794860.db2.gz YAMXULZFRKQRNX-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103644919 844794864 /nfs/dbraw/zinc/79/48/64/844794864.db2.gz YAMXULZFRKQRNX-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103644919 844794866 /nfs/dbraw/zinc/79/48/66/844794866.db2.gz YAMXULZFRKQRNX-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)C1 ZINC001104573323 844922187 /nfs/dbraw/zinc/92/21/87/844922187.db2.gz RDNADXJORASBDF-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587575 844923082 /nfs/dbraw/zinc/92/30/82/844923082.db2.gz BCWVDKTYLWUGMT-DISONHOPSA-N 2 1 355.523 0.798 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001104678775 844932716 /nfs/dbraw/zinc/93/27/16/844932716.db2.gz BIMYVDLSZFVDKN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001105010183 844968739 /nfs/dbraw/zinc/96/87/39/844968739.db2.gz BDQHGNKWMSSHBD-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001105007783 844968910 /nfs/dbraw/zinc/96/89/10/844968910.db2.gz GELQNXAKKLAJDK-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001105010220 844969182 /nfs/dbraw/zinc/96/91/82/844969182.db2.gz CNKGHZSOJZDRTH-OAGGEKHMSA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676298 845017579 /nfs/dbraw/zinc/01/75/79/845017579.db2.gz VLVZYCJZNVJIDF-PSBWJHGTSA-N 2 1 355.523 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCc1ccns1 ZINC001105974330 845071630 /nfs/dbraw/zinc/07/16/30/845071630.db2.gz VATUVYXTXWAFEP-FMKPAKJESA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCc1ccns1 ZINC001105974330 845071637 /nfs/dbraw/zinc/07/16/37/845071637.db2.gz VATUVYXTXWAFEP-FMKPAKJESA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)CC[N@H+]1C ZINC001106148659 845115428 /nfs/dbraw/zinc/11/54/28/845115428.db2.gz XDNDQLPUTDHIRY-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106255906 845144543 /nfs/dbraw/zinc/14/45/43/845144543.db2.gz ONYZLIYOVAMQPW-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]CCOCCO ZINC001106353927 845161664 /nfs/dbraw/zinc/16/16/64/845161664.db2.gz HJIWBAXIPBXENS-ZIAGYGMSSA-N 2 1 354.451 0.043 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106581673 845200477 /nfs/dbraw/zinc/20/04/77/845200477.db2.gz KMBPRJVYVJDTKG-FXUDXRNXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001106665828 845218933 /nfs/dbraw/zinc/21/89/33/845218933.db2.gz DCQKZDXAPCGHSO-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106664862 845218983 /nfs/dbraw/zinc/21/89/83/845218983.db2.gz AKQBJXBHNQARMK-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106839201 845264077 /nfs/dbraw/zinc/26/40/77/845264077.db2.gz AKTWVLJCNDWTKW-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106840100 845266009 /nfs/dbraw/zinc/26/60/09/845266009.db2.gz XYCRERDYAZBXHT-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106905227 845283444 /nfs/dbraw/zinc/28/34/44/845283444.db2.gz GEPGWDMAKFMELK-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106907784 845284445 /nfs/dbraw/zinc/28/44/45/845284445.db2.gz CGKNNJYZPBOBAT-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106906119 845284757 /nfs/dbraw/zinc/28/47/57/845284757.db2.gz YGHHJTOXCFFTKM-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981152 845298906 /nfs/dbraw/zinc/29/89/06/845298906.db2.gz HJOPBKFPRSVZCE-BZUAXINKSA-N 2 1 353.511 0.330 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106981700 845299564 /nfs/dbraw/zinc/29/95/64/845299564.db2.gz ZNNJQBPJEXFTRE-OWCLPIDISA-N 2 1 371.547 0.447 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1 ZINC001107039208 845317263 /nfs/dbraw/zinc/31/72/63/845317263.db2.gz MYOMQRLDUCWEGT-ZIAGYGMSSA-N 2 1 353.467 0.740 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001107039715 845317589 /nfs/dbraw/zinc/31/75/89/845317589.db2.gz VNMPIDLPPRIJCX-CHWSQXEVSA-N 2 1 366.428 0.689 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329328 845352564 /nfs/dbraw/zinc/35/25/64/845352564.db2.gz QKHBWAZIDBUWQG-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329328 845352574 /nfs/dbraw/zinc/35/25/74/845352574.db2.gz QKHBWAZIDBUWQG-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107329328 845352581 /nfs/dbraw/zinc/35/25/81/845352581.db2.gz QKHBWAZIDBUWQG-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439305 845373547 /nfs/dbraw/zinc/37/35/47/845373547.db2.gz VIVHAJTUVOLSDD-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439305 845373561 /nfs/dbraw/zinc/37/35/61/845373561.db2.gz VIVHAJTUVOLSDD-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439305 845373570 /nfs/dbraw/zinc/37/35/70/845373570.db2.gz VIVHAJTUVOLSDD-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC1 ZINC001107521252 845390498 /nfs/dbraw/zinc/39/04/98/845390498.db2.gz UELBUMURTKZYHL-NVXWUHKLSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC1 ZINC001107521252 845390507 /nfs/dbraw/zinc/39/05/07/845390507.db2.gz UELBUMURTKZYHL-NVXWUHKLSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001107530602 845392292 /nfs/dbraw/zinc/39/22/92/845392292.db2.gz BPKKZURWGNSVOI-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP CN(C)C(=O)CCNC(=O)[C@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001276755870 861579021 /nfs/dbraw/zinc/57/90/21/861579021.db2.gz BAKGVZYDDPKBHO-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756295 861580699 /nfs/dbraw/zinc/58/06/99/861580699.db2.gz MMOQHISBUBDSDI-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756263 861581490 /nfs/dbraw/zinc/58/14/90/861581490.db2.gz LKCVKOKVORZDNU-QAPCUYQASA-N 2 1 353.463 0.193 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756263 861581497 /nfs/dbraw/zinc/58/14/97/861581497.db2.gz LKCVKOKVORZDNU-QAPCUYQASA-N 2 1 353.463 0.193 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001109427242 845650553 /nfs/dbraw/zinc/65/05/53/845650553.db2.gz VNGHYXDLYLDTKE-QZWWFDLISA-N 2 1 350.507 0.820 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001109427242 845650555 /nfs/dbraw/zinc/65/05/55/845650555.db2.gz VNGHYXDLYLDTKE-QZWWFDLISA-N 2 1 350.507 0.820 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109635704 845703080 /nfs/dbraw/zinc/70/30/80/845703080.db2.gz OABQTUJIQDGGCR-MHORFTMASA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109635704 845703081 /nfs/dbraw/zinc/70/30/81/845703081.db2.gz OABQTUJIQDGGCR-MHORFTMASA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109635704 845703082 /nfs/dbraw/zinc/70/30/82/845703082.db2.gz OABQTUJIQDGGCR-MHORFTMASA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649780 845704148 /nfs/dbraw/zinc/70/41/48/845704148.db2.gz DCKQJYTUHCZEKC-PMPSAXMXSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649780 845704151 /nfs/dbraw/zinc/70/41/51/845704151.db2.gz DCKQJYTUHCZEKC-PMPSAXMXSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001109685705 845712769 /nfs/dbraw/zinc/71/27/69/845712769.db2.gz GKWKKHMMJPJRON-MUQADHOPSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001109685705 845712773 /nfs/dbraw/zinc/71/27/73/845712773.db2.gz GKWKKHMMJPJRON-MUQADHOPSA-N 2 1 350.507 0.915 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109867447 845751754 /nfs/dbraw/zinc/75/17/54/845751754.db2.gz ZWCZRHOERBPOTJ-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918586 845760587 /nfs/dbraw/zinc/76/05/87/845760587.db2.gz PSEULOQOTFHLQP-OWSLCNJRSA-N 2 1 353.507 0.836 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001109932356 845761314 /nfs/dbraw/zinc/76/13/14/845761314.db2.gz HYJNFOKRGZKOEF-IKGGRYGDSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001109932356 845761320 /nfs/dbraw/zinc/76/13/20/845761320.db2.gz HYJNFOKRGZKOEF-IKGGRYGDSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001109932356 845761326 /nfs/dbraw/zinc/76/13/26/845761326.db2.gz HYJNFOKRGZKOEF-IKGGRYGDSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001109932356 845761331 /nfs/dbraw/zinc/76/13/31/845761331.db2.gz HYJNFOKRGZKOEF-IKGGRYGDSA-N 2 1 371.547 0.875 20 0 FCADMP COC(CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O)OC ZINC001276794361 861610372 /nfs/dbraw/zinc/61/03/72/861610372.db2.gz IAAOYNNZPUSLFC-RDTXWAMCSA-N 2 1 357.495 0.279 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569449 845920926 /nfs/dbraw/zinc/92/09/26/845920926.db2.gz OBPNYAMRDCCUGG-TVFCKZIOSA-N 2 1 351.491 0.713 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001110616808 845930708 /nfs/dbraw/zinc/93/07/08/845930708.db2.gz RSFBXBFILIMCKG-FPCVCCKLSA-N 2 1 352.458 0.680 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001111030854 846018003 /nfs/dbraw/zinc/01/80/03/846018003.db2.gz HNRWRTPJPXQEJT-LVQVYYBASA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001111030854 846018009 /nfs/dbraw/zinc/01/80/09/846018009.db2.gz HNRWRTPJPXQEJT-LVQVYYBASA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C3)C1=O ZINC001111030854 846018016 /nfs/dbraw/zinc/01/80/16/846018016.db2.gz HNRWRTPJPXQEJT-LVQVYYBASA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C3)C1=O ZINC001111030854 846018024 /nfs/dbraw/zinc/01/80/24/846018024.db2.gz HNRWRTPJPXQEJT-LVQVYYBASA-N 2 1 350.507 0.917 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCOC1 ZINC001111151682 846048787 /nfs/dbraw/zinc/04/87/87/846048787.db2.gz HCSDNRIMILMGST-MLHJIOFPSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCOC1 ZINC001111151682 846048792 /nfs/dbraw/zinc/04/87/92/846048792.db2.gz HCSDNRIMILMGST-MLHJIOFPSA-N 2 1 351.491 0.857 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150346 846048908 /nfs/dbraw/zinc/04/89/08/846048908.db2.gz LKVPYXZKHCZZRM-VQHPVUNQSA-N 2 1 350.463 0.701 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150346 846048916 /nfs/dbraw/zinc/04/89/16/846048916.db2.gz LKVPYXZKHCZZRM-VQHPVUNQSA-N 2 1 350.463 0.701 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001111171564 846053093 /nfs/dbraw/zinc/05/30/93/846053093.db2.gz JKEIPCMPXNWULC-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198231 846059139 /nfs/dbraw/zinc/05/91/39/846059139.db2.gz PMGKXXFVNMUJAR-AHCXZYCDSA-N 2 1 353.507 0.980 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217287 846064714 /nfs/dbraw/zinc/06/47/14/846064714.db2.gz PSEULOQOTFHLQP-TVFCKZIOSA-N 2 1 353.507 0.836 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274869 846075025 /nfs/dbraw/zinc/07/50/25/846075025.db2.gz LQRVAANXCYOEFI-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274869 846075035 /nfs/dbraw/zinc/07/50/35/846075035.db2.gz LQRVAANXCYOEFI-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274869 846075042 /nfs/dbraw/zinc/07/50/42/846075042.db2.gz LQRVAANXCYOEFI-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274869 846075046 /nfs/dbraw/zinc/07/50/46/846075046.db2.gz LQRVAANXCYOEFI-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111281133 846077142 /nfs/dbraw/zinc/07/71/42/846077142.db2.gz HEBWIISNHUOJHR-JJXSEGSLSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111281133 846077148 /nfs/dbraw/zinc/07/71/48/846077148.db2.gz HEBWIISNHUOJHR-JJXSEGSLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111281133 846077150 /nfs/dbraw/zinc/07/71/50/846077150.db2.gz HEBWIISNHUOJHR-JJXSEGSLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111281133 846077157 /nfs/dbraw/zinc/07/71/57/846077157.db2.gz HEBWIISNHUOJHR-JJXSEGSLSA-N 2 1 350.507 0.964 20 0 FCADMP CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111456846 846114571 /nfs/dbraw/zinc/11/45/71/846114571.db2.gz YBJCUVVJUQKLOI-OAGGEKHMSA-N 2 1 372.535 0.133 20 0 FCADMP CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111456846 846114579 /nfs/dbraw/zinc/11/45/79/846114579.db2.gz YBJCUVVJUQKLOI-OAGGEKHMSA-N 2 1 372.535 0.133 20 0 FCADMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2)C1CCC1 ZINC001111779123 846201930 /nfs/dbraw/zinc/20/19/30/846201930.db2.gz VYIHOXWYGUMJSJ-YJBOKZPZSA-N 2 1 371.547 0.876 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2)C1CCC1 ZINC001111779123 846201942 /nfs/dbraw/zinc/20/19/42/846201942.db2.gz VYIHOXWYGUMJSJ-YJBOKZPZSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2)C1CCC1 ZINC001111779123 846201951 /nfs/dbraw/zinc/20/19/51/846201951.db2.gz VYIHOXWYGUMJSJ-YJBOKZPZSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2)C1CCC1 ZINC001111779123 846201962 /nfs/dbraw/zinc/20/19/62/846201962.db2.gz VYIHOXWYGUMJSJ-YJBOKZPZSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCS(=O)(=O)CC1)C2 ZINC001111861522 846234626 /nfs/dbraw/zinc/23/46/26/846234626.db2.gz RGEFSBXKDBOJEY-WMZOPIPTSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001111862510 846235948 /nfs/dbraw/zinc/23/59/48/846235948.db2.gz QHQSJJLTFXNMIX-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111890833 846249017 /nfs/dbraw/zinc/24/90/17/846249017.db2.gz BEWCLOUYULGYTI-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCCC1=O)C2 ZINC001111925811 846264187 /nfs/dbraw/zinc/26/41/87/846264187.db2.gz KWTZQQPOQBVYEI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111925811 846264197 /nfs/dbraw/zinc/26/41/97/846264197.db2.gz KWTZQQPOQBVYEI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111925811 846264208 /nfs/dbraw/zinc/26/42/08/846264208.db2.gz KWTZQQPOQBVYEI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111952572 846275030 /nfs/dbraw/zinc/27/50/30/846275030.db2.gz ONKBOLOVOONVJY-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111952572 846275037 /nfs/dbraw/zinc/27/50/37/846275037.db2.gz ONKBOLOVOONVJY-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111952572 846275049 /nfs/dbraw/zinc/27/50/49/846275049.db2.gz ONKBOLOVOONVJY-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984003 846283028 /nfs/dbraw/zinc/28/30/28/846283028.db2.gz VFIJMPSVEOUHSL-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111984003 846283035 /nfs/dbraw/zinc/28/30/35/846283035.db2.gz VFIJMPSVEOUHSL-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111984003 846283045 /nfs/dbraw/zinc/28/30/45/846283045.db2.gz VFIJMPSVEOUHSL-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001112004803 846292404 /nfs/dbraw/zinc/29/24/04/846292404.db2.gz LTLHXMJTRRPTIT-HKUYNNGSSA-N 2 1 353.507 0.842 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070775 846347928 /nfs/dbraw/zinc/34/79/28/846347928.db2.gz FEMVZWBSBDYPRJ-UPJWGTAASA-N 2 1 364.412 0.584 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070775 846347938 /nfs/dbraw/zinc/34/79/38/846347938.db2.gz FEMVZWBSBDYPRJ-UPJWGTAASA-N 2 1 364.412 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001112103628 846384046 /nfs/dbraw/zinc/38/40/46/846384046.db2.gz RAHQSYLBSFCEAV-FDYHWXHSSA-N 2 1 364.412 0.394 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001112103628 846384054 /nfs/dbraw/zinc/38/40/54/846384054.db2.gz RAHQSYLBSFCEAV-FDYHWXHSSA-N 2 1 364.412 0.394 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112146071 846418555 /nfs/dbraw/zinc/41/85/55/846418555.db2.gz OECOMDXRIKBGQU-DGAVXFQQSA-N 2 1 367.412 0.457 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154289 846422360 /nfs/dbraw/zinc/42/23/60/846422360.db2.gz DXJODAROKDVZRR-GHMZBOCLSA-N 2 1 350.385 0.053 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206446 846462443 /nfs/dbraw/zinc/46/24/43/846462443.db2.gz PURNPTUXEFFPND-QJPTWQEYSA-N 2 1 350.385 0.053 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206446 846462453 /nfs/dbraw/zinc/46/24/53/846462453.db2.gz PURNPTUXEFFPND-QJPTWQEYSA-N 2 1 350.385 0.053 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112206580 846462879 /nfs/dbraw/zinc/46/28/79/846462879.db2.gz VITGLDOJWWVSRK-CHWSQXEVSA-N 2 1 364.368 0.179 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212329 846470448 /nfs/dbraw/zinc/47/04/48/846470448.db2.gz ZOUGOCXPBAMNKY-QJPTWQEYSA-N 2 1 352.401 0.440 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212329 846470458 /nfs/dbraw/zinc/47/04/58/846470458.db2.gz ZOUGOCXPBAMNKY-QJPTWQEYSA-N 2 1 352.401 0.440 20 0 FCADMP CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291641 846490156 /nfs/dbraw/zinc/49/01/56/846490156.db2.gz STIYOVDUWOREJQ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291641 846490160 /nfs/dbraw/zinc/49/01/60/846490160.db2.gz STIYOVDUWOREJQ-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112515090 846512702 /nfs/dbraw/zinc/51/27/02/846512702.db2.gz UVBAKWZDPQDFQC-GJYPPUQNSA-N 2 1 350.507 0.812 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112529906 846515900 /nfs/dbraw/zinc/51/59/00/846515900.db2.gz VDHRMLWWLONQQX-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112557414 846523709 /nfs/dbraw/zinc/52/37/09/846523709.db2.gz FHSWUWXSAWKVBV-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112586138 846531622 /nfs/dbraw/zinc/53/16/22/846531622.db2.gz JHAKTFCXSHLXHF-FCEWJHQRSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCN1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276915287 861689539 /nfs/dbraw/zinc/68/95/39/861689539.db2.gz WKGHRQKPSYMPCH-QGZVFWFLSA-N 2 1 350.419 0.382 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC001117746009 847164377 /nfs/dbraw/zinc/16/43/77/847164377.db2.gz OJTMVQMLJZIZSS-MRXNPFEDSA-N 2 1 350.467 0.008 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC001117746009 847164381 /nfs/dbraw/zinc/16/43/81/847164381.db2.gz OJTMVQMLJZIZSS-MRXNPFEDSA-N 2 1 350.467 0.008 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC001118059025 847266642 /nfs/dbraw/zinc/26/66/42/847266642.db2.gz MRCHLXPLVRSFOQ-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC001118124104 847289686 /nfs/dbraw/zinc/28/96/86/847289686.db2.gz UZOBYBJVYUXCCC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC001118124104 847289699 /nfs/dbraw/zinc/28/96/99/847289699.db2.gz UZOBYBJVYUXCCC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC001118124104 847289709 /nfs/dbraw/zinc/28/97/09/847289709.db2.gz UZOBYBJVYUXCCC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001118123438 847290286 /nfs/dbraw/zinc/29/02/86/847290286.db2.gz KSLIPDVRQWKABY-CVEARBPZSA-N 2 1 352.479 0.356 20 0 FCADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(NS(C)(=O)=O)cc1 ZINC001118607659 847496586 /nfs/dbraw/zinc/49/65/86/847496586.db2.gz CCMUQHGSOLVZBW-JTQLQIEISA-N 2 1 351.432 0.863 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001119354229 847819977 /nfs/dbraw/zinc/81/99/77/847819977.db2.gz CMLXBJNINDIOEV-BPUTZDHNSA-N 2 1 354.495 0.093 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC001119424961 847840074 /nfs/dbraw/zinc/84/00/74/847840074.db2.gz NGNDVZWBRIYMCZ-BRWVUGGUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119481900 847858190 /nfs/dbraw/zinc/85/81/90/847858190.db2.gz ANTHDSHZLSPMFR-YESZJQIVSA-N 2 1 353.511 0.162 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1F ZINC001120966768 848303550 /nfs/dbraw/zinc/30/35/50/848303550.db2.gz GJNPGXBKXRDRMO-ZDUSSCGKSA-N 2 1 352.410 0.525 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1F ZINC001120966768 848303556 /nfs/dbraw/zinc/30/35/56/848303556.db2.gz GJNPGXBKXRDRMO-ZDUSSCGKSA-N 2 1 352.410 0.525 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H](O)COC)C3)CC[N@H+]1C ZINC001121133905 848321778 /nfs/dbraw/zinc/32/17/78/848321778.db2.gz KXPXXGLSNNWCIX-MTLVFXLLSA-N 2 1 353.507 0.741 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@@H]1C ZINC001121362756 848343604 /nfs/dbraw/zinc/34/36/04/848343604.db2.gz QGWDSPBWAOAJMI-LSDHHAIUSA-N 2 1 350.511 0.906 20 0 FCADMP Cc1sc(C[NH3+])nc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001121917097 848415984 /nfs/dbraw/zinc/41/59/84/848415984.db2.gz ODLBCRFVSGSCOX-LBPRGKRZSA-N 2 1 353.492 0.583 20 0 FCADMP Cc1sc(C[NH3+])nc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001121917097 848415990 /nfs/dbraw/zinc/41/59/90/848415990.db2.gz ODLBCRFVSGSCOX-LBPRGKRZSA-N 2 1 353.492 0.583 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)C1 ZINC001122055143 848441156 /nfs/dbraw/zinc/44/11/56/848441156.db2.gz GROBAFDWQLTHDW-APIJFGDWSA-N 2 1 357.520 0.246 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790438 848637630 /nfs/dbraw/zinc/63/76/30/848637630.db2.gz ZECQLJXZNUKZTI-FUHWJXTLSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccsc2)CC[N@H+]1C ZINC001127644099 848730426 /nfs/dbraw/zinc/73/04/26/848730426.db2.gz UXDZRJFABCMUJA-UKRRQHHQSA-N 2 1 352.504 0.753 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071781 848802466 /nfs/dbraw/zinc/80/24/66/848802466.db2.gz MBJYYSGJWNGSPI-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262905 848823322 /nfs/dbraw/zinc/82/33/22/848823322.db2.gz VPWOFGSWJJZXPM-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262905 848823326 /nfs/dbraw/zinc/82/33/26/848823326.db2.gz VPWOFGSWJJZXPM-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262905 848823335 /nfs/dbraw/zinc/82/33/35/848823335.db2.gz VPWOFGSWJJZXPM-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262905 848823341 /nfs/dbraw/zinc/82/33/41/848823341.db2.gz VPWOFGSWJJZXPM-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393488 848838346 /nfs/dbraw/zinc/83/83/46/848838346.db2.gz MFISWUVMYFQWDA-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461742 848848202 /nfs/dbraw/zinc/84/82/02/848848202.db2.gz ZXBXZXDZMLGYTN-XHSDSOJGSA-N 2 1 352.483 0.121 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461742 848848203 /nfs/dbraw/zinc/84/82/03/848848203.db2.gz ZXBXZXDZMLGYTN-XHSDSOJGSA-N 2 1 352.483 0.121 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129461742 848848207 /nfs/dbraw/zinc/84/82/07/848848207.db2.gz ZXBXZXDZMLGYTN-XHSDSOJGSA-N 2 1 352.483 0.121 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895627 848909651 /nfs/dbraw/zinc/90/96/51/848909651.db2.gz GDQFXTUHDOFIKW-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894700 848909909 /nfs/dbraw/zinc/90/99/09/848909909.db2.gz QGENJAGYJKYAQA-BMFZPTHFSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)O1 ZINC001129912470 848914250 /nfs/dbraw/zinc/91/42/50/848914250.db2.gz IJTJEKIGPLBEMD-RQPNLXPFSA-N 2 1 368.869 0.091 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)O1 ZINC001129912470 848914256 /nfs/dbraw/zinc/91/42/56/848914256.db2.gz IJTJEKIGPLBEMD-RQPNLXPFSA-N 2 1 368.869 0.091 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130012149 848931041 /nfs/dbraw/zinc/93/10/41/848931041.db2.gz RIMHYPFSVYKGIS-CABCVRRESA-N 2 1 352.458 0.711 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130081229 848941204 /nfs/dbraw/zinc/94/12/04/848941204.db2.gz DTTNWGGMYRJOPA-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107744 848945982 /nfs/dbraw/zinc/94/59/82/848945982.db2.gz ZFKYRXYUJCSIGG-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107745 848946925 /nfs/dbraw/zinc/94/69/25/848946925.db2.gz ZFKYRXYUJCSIGG-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCC(F)(F)C(F)F)O1 ZINC001130182442 848960525 /nfs/dbraw/zinc/96/05/25/848960525.db2.gz HWJWLPWSNIIOMJ-GHMZBOCLSA-N 2 1 359.364 0.328 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCC(F)(F)C(F)F)O1 ZINC001130182442 848960529 /nfs/dbraw/zinc/96/05/29/848960529.db2.gz HWJWLPWSNIIOMJ-GHMZBOCLSA-N 2 1 359.364 0.328 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1cccs1 ZINC001130184140 848961427 /nfs/dbraw/zinc/96/14/27/848961427.db2.gz BZFRNRKQUCAEGL-VNHYZAJKSA-N 2 1 368.503 0.178 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1cccs1 ZINC001130184140 848961433 /nfs/dbraw/zinc/96/14/33/848961433.db2.gz BZFRNRKQUCAEGL-VNHYZAJKSA-N 2 1 368.503 0.178 20 0 FCADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130234576 848981656 /nfs/dbraw/zinc/98/16/56/848981656.db2.gz BDYRDNCHTJRDDX-KBPBESRZSA-N 2 1 350.467 0.245 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130234576 848981662 /nfs/dbraw/zinc/98/16/62/848981662.db2.gz BDYRDNCHTJRDDX-KBPBESRZSA-N 2 1 350.467 0.245 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C/C=C\Cl)O2)n1 ZINC001130805402 849046337 /nfs/dbraw/zinc/04/63/37/849046337.db2.gz ZZCZJVNRISTYPG-VOYABRKTSA-N 2 1 370.885 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131588165 849127611 /nfs/dbraw/zinc/12/76/11/849127611.db2.gz VBGLNLHLPKCKTK-LXZKKBNFSA-N 2 1 354.495 0.188 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131608662 849129945 /nfs/dbraw/zinc/12/99/45/849129945.db2.gz KLOWXTFVWARIND-QAPCUYQASA-N 2 1 354.495 0.058 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC001143006690 849470459 /nfs/dbraw/zinc/47/04/59/849470459.db2.gz KZVNLMNGKKMIFM-UHFFFAOYSA-N 2 1 354.476 0.833 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)O)CC1 ZINC001151180100 849680703 /nfs/dbraw/zinc/68/07/03/849680703.db2.gz DDQPSLUHOHYPIF-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)O)CC1 ZINC001151180100 849680708 /nfs/dbraw/zinc/68/07/08/849680708.db2.gz DDQPSLUHOHYPIF-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cn2nc(Br)sc2n1 ZINC001152086949 849705127 /nfs/dbraw/zinc/70/51/27/849705127.db2.gz UNXJJYZGTKXUEA-UHFFFAOYSA-N 2 1 360.241 0.628 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCCS(C)(=O)=O)CC[N@H+]1C ZINC001153464671 849747514 /nfs/dbraw/zinc/74/75/14/849747514.db2.gz VOEWODWOIMEELD-OWCLPIDISA-N 2 1 361.552 0.978 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001153464671 849747522 /nfs/dbraw/zinc/74/75/22/849747522.db2.gz VOEWODWOIMEELD-OWCLPIDISA-N 2 1 361.552 0.978 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCS(C)(=O)=O)CC[N@H+]1C ZINC001153464671 849747529 /nfs/dbraw/zinc/74/75/29/849747529.db2.gz VOEWODWOIMEELD-OWCLPIDISA-N 2 1 361.552 0.978 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCS(C)(=O)=O)CC[NH+]1C ZINC001153464671 849747534 /nfs/dbraw/zinc/74/75/34/849747534.db2.gz VOEWODWOIMEELD-OWCLPIDISA-N 2 1 361.552 0.978 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCS(C)(=O)=O)CC[NH+]1C ZINC001153464671 849747541 /nfs/dbraw/zinc/74/75/41/849747541.db2.gz VOEWODWOIMEELD-OWCLPIDISA-N 2 1 361.552 0.978 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762567 862058325 /nfs/dbraw/zinc/05/83/25/862058325.db2.gz XCKWMHYAONCQQI-IBGZPJMESA-N 2 1 352.523 0.319 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762567 862058344 /nfs/dbraw/zinc/05/83/44/862058344.db2.gz XCKWMHYAONCQQI-IBGZPJMESA-N 2 1 352.523 0.319 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762567 862058360 /nfs/dbraw/zinc/05/83/60/862058360.db2.gz XCKWMHYAONCQQI-IBGZPJMESA-N 2 1 352.523 0.319 20 0 FCADMP Cc1[nH+]ccn1CCNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001156001748 849887552 /nfs/dbraw/zinc/88/75/52/849887552.db2.gz DSLHDWSKCPEAPH-UHFFFAOYSA-N 2 1 350.448 0.185 20 0 FCADMP C[N@@H+]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001157258924 849957894 /nfs/dbraw/zinc/95/78/94/849957894.db2.gz BNYAROSXBGZJRZ-WFASDCNBSA-N 2 1 365.503 0.099 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001157258924 849957901 /nfs/dbraw/zinc/95/79/01/849957901.db2.gz BNYAROSXBGZJRZ-WFASDCNBSA-N 2 1 365.503 0.099 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778924 862076548 /nfs/dbraw/zinc/07/65/48/862076548.db2.gz VEQNWNGJKMOZDO-AEFFLSMTSA-N 2 1 357.495 0.029 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032913 850014854 /nfs/dbraw/zinc/01/48/54/850014854.db2.gz XXUZIDLLKWNEMF-MJGOQNOKSA-N 2 1 351.539 0.509 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)N(C)C)O1 ZINC001158124909 850020127 /nfs/dbraw/zinc/02/01/27/850020127.db2.gz XJTCUTWFJVBHGT-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)N(C)C)O1 ZINC001158124909 850020130 /nfs/dbraw/zinc/02/01/30/850020130.db2.gz XJTCUTWFJVBHGT-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC001158412123 850048149 /nfs/dbraw/zinc/04/81/49/850048149.db2.gz NFFBYDQRJWDQBT-LSDHHAIUSA-N 2 1 362.540 0.094 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cc(=O)n3ccsc3n2)CC[N@H+]1C ZINC001158428581 850048636 /nfs/dbraw/zinc/04/86/36/850048636.db2.gz JWDDBOXDUBSYAV-TZMCWYRMSA-N 2 1 363.487 0.692 20 0 FCADMP O=C(N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159832069 850139251 /nfs/dbraw/zinc/13/92/51/850139251.db2.gz AZXTVSANBQYEAU-BASYENTBSA-N 2 1 361.515 0.517 20 0 FCADMP Cc1nc(CO[C@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)cs1 ZINC001160377352 850168824 /nfs/dbraw/zinc/16/88/24/850168824.db2.gz FMCWBQGOQGXBSU-CABCVRRESA-N 2 1 368.503 0.794 20 0 FCADMP CC(C)NS(=O)(=O)c1ccc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1 ZINC001160520044 850179286 /nfs/dbraw/zinc/17/92/86/850179286.db2.gz PKRVUSJOARFYJG-MRXNPFEDSA-N 2 1 353.492 0.603 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001160966329 850215481 /nfs/dbraw/zinc/21/54/81/850215481.db2.gz BCXNKUUAAJTNQZ-GFCCVEGCSA-N 2 1 353.492 0.465 20 0 FCADMP COc1cc(N(C(=O)[C@@H](N)CSCC[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161386608 850256883 /nfs/dbraw/zinc/25/68/83/850256883.db2.gz SRCQAYJQEICHQJ-AWEZNQCLSA-N 2 1 353.492 0.194 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161519759 850266707 /nfs/dbraw/zinc/26/67/07/850266707.db2.gz DATGYAAMBPITFU-CYBMUJFWSA-N 2 1 356.268 0.761 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](CCCF)CC1 ZINC001162321312 850308346 /nfs/dbraw/zinc/30/83/46/850308346.db2.gz ZPQBISWPHDGAMN-HZPDHXFCSA-N 2 1 359.486 0.910 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](CCCF)CC1 ZINC001162321312 850308357 /nfs/dbraw/zinc/30/83/57/850308357.db2.gz ZPQBISWPHDGAMN-HZPDHXFCSA-N 2 1 359.486 0.910 20 0 FCADMP C[N@@H+]1CCC[C@](C)(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001162330576 850309027 /nfs/dbraw/zinc/30/90/27/850309027.db2.gz HPUZJIFPSSDCDM-INIZCTEOSA-N 2 1 353.492 0.465 20 0 FCADMP C[N@H+]1CCC[C@](C)(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001162330576 850309032 /nfs/dbraw/zinc/30/90/32/850309032.db2.gz HPUZJIFPSSDCDM-INIZCTEOSA-N 2 1 353.492 0.465 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813655 862116560 /nfs/dbraw/zinc/11/65/60/862116560.db2.gz QZFTUNRONOZSLF-SFHVURJKSA-N 2 1 353.507 0.794 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833409 862121269 /nfs/dbraw/zinc/12/12/69/862121269.db2.gz DRGAXZBUOGGLFK-IEBWSBKVSA-N 3 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833409 862121276 /nfs/dbraw/zinc/12/12/76/862121276.db2.gz DRGAXZBUOGGLFK-IEBWSBKVSA-N 3 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833411 862121693 /nfs/dbraw/zinc/12/16/93/862121693.db2.gz DRGAXZBUOGGLFK-PKOBYXMFSA-N 3 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277833411 862121702 /nfs/dbraw/zinc/12/17/02/862121702.db2.gz DRGAXZBUOGGLFK-PKOBYXMFSA-N 3 1 354.539 0.708 20 0 FCADMP CCS(=O)(=O)N1CCC(Nc2[nH+]cccc2N2CC[NH2+]CC2)CC1 ZINC001164315909 850406158 /nfs/dbraw/zinc/40/61/58/850406158.db2.gz ZXPIQOSALNXHSG-UHFFFAOYSA-N 2 1 353.492 0.717 20 0 FCADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)NCC(N)=O ZINC001167979032 850566573 /nfs/dbraw/zinc/56/65/73/850566573.db2.gz SQBBZARJJSYFSU-HMQMGEFJSA-N 2 1 350.507 0.998 20 0 FCADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)NCC(N)=O ZINC001167979032 850566578 /nfs/dbraw/zinc/56/65/78/850566578.db2.gz SQBBZARJJSYFSU-HMQMGEFJSA-N 2 1 350.507 0.998 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NS(=O)(=O)c1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001169125767 850605727 /nfs/dbraw/zinc/60/57/27/850605727.db2.gz KZAAWHSCBMCZAM-ACHSLPGTSA-N 2 1 364.515 1.000 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ncn3c1C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169131732 850606322 /nfs/dbraw/zinc/60/63/22/850606322.db2.gz YJDLRPJFWLBFHE-FICVDOATSA-N 2 1 367.519 0.763 20 0 FCADMP COCCC[NH+]1CCC([NH+]2C[C@@H](C(=O)OC)C[C@H](C(=O)OC)C2)CC1 ZINC001172256171 850710078 /nfs/dbraw/zinc/71/00/78/850710078.db2.gz RIMLLHLIHGRYPH-GJZGRUSLSA-N 2 1 356.463 0.771 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001172688050 850712871 /nfs/dbraw/zinc/71/28/71/850712871.db2.gz HTMSUJRAGBARKY-XQQFMLRXSA-N 2 1 359.467 0.615 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001178527476 850905491 /nfs/dbraw/zinc/90/54/91/850905491.db2.gz MQXLUKPMIYAJKU-UONOGXRCSA-N 2 1 355.483 0.178 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C)C1CC1 ZINC001178731594 850921143 /nfs/dbraw/zinc/92/11/43/850921143.db2.gz YYVZNAABWVOMMB-WTTBNOFXSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCN(C)C2=O)O1 ZINC001178811719 850933815 /nfs/dbraw/zinc/93/38/15/850933815.db2.gz ZTSXYWIBRDMPLV-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCN(C)C2=O)O1 ZINC001178811719 850933821 /nfs/dbraw/zinc/93/38/21/850933821.db2.gz ZTSXYWIBRDMPLV-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[N@H+](CC(=O)NCC[NH2+]CCO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815362 851271368 /nfs/dbraw/zinc/27/13/68/851271368.db2.gz OWJKGMWTHXDUIE-AWEZNQCLSA-N 2 1 358.483 0.016 20 0 FCADMP C[N@@H+](CC(=O)NCC[NH2+]CCO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815362 851271375 /nfs/dbraw/zinc/27/13/75/851271375.db2.gz OWJKGMWTHXDUIE-AWEZNQCLSA-N 2 1 358.483 0.016 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCF)C3(C2)CCOCC3)O1 ZINC001186409715 851429995 /nfs/dbraw/zinc/42/99/95/851429995.db2.gz CPILXMOVSLQQJB-OWCLPIDISA-N 2 1 357.470 0.520 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CCF)C3(C2)CCOCC3)O1 ZINC001186409715 851430005 /nfs/dbraw/zinc/43/00/05/851430005.db2.gz CPILXMOVSLQQJB-OWCLPIDISA-N 2 1 357.470 0.520 20 0 FCADMP CCOC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278204940 862254457 /nfs/dbraw/zinc/25/44/57/862254457.db2.gz SSCONOUSKPZNQB-SFHVURJKSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001188107783 851646610 /nfs/dbraw/zinc/64/66/10/851646610.db2.gz YTMMTXMJUZOKGQ-ARFHVFGLSA-N 2 1 352.458 0.491 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212934 851658865 /nfs/dbraw/zinc/65/88/65/851658865.db2.gz PYQZUDMPTNQUJU-YQQAZPJKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212934 851658869 /nfs/dbraw/zinc/65/88/69/851658869.db2.gz PYQZUDMPTNQUJU-YQQAZPJKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H](C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212934 851658875 /nfs/dbraw/zinc/65/88/75/851658875.db2.gz PYQZUDMPTNQUJU-YQQAZPJKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H](C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212934 851658880 /nfs/dbraw/zinc/65/88/80/851658880.db2.gz PYQZUDMPTNQUJU-YQQAZPJKSA-N 2 1 371.547 0.684 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691271 851720415 /nfs/dbraw/zinc/72/04/15/851720415.db2.gz WTKINEYJCZTEFK-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001189135909 851756513 /nfs/dbraw/zinc/75/65/13/851756513.db2.gz ROJOIYHGIXBYBW-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001189135909 851756521 /nfs/dbraw/zinc/75/65/21/851756521.db2.gz ROJOIYHGIXBYBW-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001189135909 851756528 /nfs/dbraw/zinc/75/65/28/851756528.db2.gz ROJOIYHGIXBYBW-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)CC(C)(C)C ZINC001189135909 851756536 /nfs/dbraw/zinc/75/65/36/851756536.db2.gz ROJOIYHGIXBYBW-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136328 851757017 /nfs/dbraw/zinc/75/70/17/851757017.db2.gz VMVTZVPNQFQEBZ-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136328 851757024 /nfs/dbraw/zinc/75/70/24/851757024.db2.gz VMVTZVPNQFQEBZ-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136328 851757028 /nfs/dbraw/zinc/75/70/28/851757028.db2.gz VMVTZVPNQFQEBZ-DLBZAZTESA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189471689 851794381 /nfs/dbraw/zinc/79/43/81/851794381.db2.gz XPQBQAWNNLWRJL-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001189471689 851794385 /nfs/dbraw/zinc/79/43/85/851794385.db2.gz XPQBQAWNNLWRJL-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667131 851812670 /nfs/dbraw/zinc/81/26/70/851812670.db2.gz BMPJGFFNBIEMEB-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667131 851812677 /nfs/dbraw/zinc/81/26/77/851812677.db2.gz BMPJGFFNBIEMEB-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189667131 851812684 /nfs/dbraw/zinc/81/26/84/851812684.db2.gz BMPJGFFNBIEMEB-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870660 851833145 /nfs/dbraw/zinc/83/31/45/851833145.db2.gz CRNJBGUGEOJPPL-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC3CC3)C[C@H]21 ZINC001189890734 851836784 /nfs/dbraw/zinc/83/67/84/851836784.db2.gz IDCKWHFDKGLZPK-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001189890734 851836791 /nfs/dbraw/zinc/83/67/91/851836791.db2.gz IDCKWHFDKGLZPK-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001189890734 851836795 /nfs/dbraw/zinc/83/67/95/851836795.db2.gz IDCKWHFDKGLZPK-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001189890734 851836803 /nfs/dbraw/zinc/83/68/03/851836803.db2.gz IDCKWHFDKGLZPK-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001189890734 851836805 /nfs/dbraw/zinc/83/68/05/851836805.db2.gz IDCKWHFDKGLZPK-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923219 851843486 /nfs/dbraw/zinc/84/34/86/851843486.db2.gz LXGKWAJIHFSXHN-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923219 851843489 /nfs/dbraw/zinc/84/34/89/851843489.db2.gz LXGKWAJIHFSXHN-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923219 851843499 /nfs/dbraw/zinc/84/34/99/851843499.db2.gz LXGKWAJIHFSXHN-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149451 851867366 /nfs/dbraw/zinc/86/73/66/851867366.db2.gz ZHUMTHVXGSBIBX-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149451 851867379 /nfs/dbraw/zinc/86/73/79/851867379.db2.gz ZHUMTHVXGSBIBX-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149451 851867389 /nfs/dbraw/zinc/86/73/89/851867389.db2.gz ZHUMTHVXGSBIBX-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149451 851867401 /nfs/dbraw/zinc/86/74/01/851867401.db2.gz ZHUMTHVXGSBIBX-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212922 851876269 /nfs/dbraw/zinc/87/62/69/851876269.db2.gz OJXUSOVSWVUTLH-OKZBNKHCSA-N 2 1 353.507 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001190246697 851884158 /nfs/dbraw/zinc/88/41/58/851884158.db2.gz GOYXZBCGWCMIQH-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001190246697 851884169 /nfs/dbraw/zinc/88/41/69/851884169.db2.gz GOYXZBCGWCMIQH-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC3CC3)C2)CC[NH+]1C ZINC001190246697 851884175 /nfs/dbraw/zinc/88/41/75/851884175.db2.gz GOYXZBCGWCMIQH-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC3CC3)C2)CC[NH+]1C ZINC001190246697 851884184 /nfs/dbraw/zinc/88/41/84/851884184.db2.gz GOYXZBCGWCMIQH-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447363 852429371 /nfs/dbraw/zinc/42/93/71/852429371.db2.gz PKIKIYLWVPTUIG-BRWVUGGUSA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193455999 852430474 /nfs/dbraw/zinc/43/04/74/852430474.db2.gz JVAYBMSKXHRVQK-BRWVUGGUSA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193455999 852430477 /nfs/dbraw/zinc/43/04/77/852430477.db2.gz JVAYBMSKXHRVQK-BRWVUGGUSA-N 2 1 359.486 0.644 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755159 852482149 /nfs/dbraw/zinc/48/21/49/852482149.db2.gz GWIKIXJMOXEGEG-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755159 852482152 /nfs/dbraw/zinc/48/21/52/852482152.db2.gz GWIKIXJMOXEGEG-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 ZINC001193755238 852482233 /nfs/dbraw/zinc/48/22/33/852482233.db2.gz JHTFVHHFRQCQCT-IXDOHACOSA-N 2 1 351.495 0.411 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755238 852482235 /nfs/dbraw/zinc/48/22/35/852482235.db2.gz JHTFVHHFRQCQCT-IXDOHACOSA-N 2 1 351.495 0.411 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755238 852482240 /nfs/dbraw/zinc/48/22/40/852482240.db2.gz JHTFVHHFRQCQCT-IXDOHACOSA-N 2 1 351.495 0.411 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765614 852484133 /nfs/dbraw/zinc/48/41/33/852484133.db2.gz DXOKPRVOKLJGQS-ZIAGYGMSSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765614 852484136 /nfs/dbraw/zinc/48/41/36/852484136.db2.gz DXOKPRVOKLJGQS-ZIAGYGMSSA-N 2 1 352.504 0.640 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccccc3N)CC2)CC1 ZINC001193922098 852508629 /nfs/dbraw/zinc/50/86/29/852508629.db2.gz ZKNTZGAHJDOCOJ-UHFFFAOYSA-N 2 1 352.504 0.917 20 0 FCADMP CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001194103169 852536636 /nfs/dbraw/zinc/53/66/36/852536636.db2.gz WEPQGXRBCXXZTF-BHUNQDJPSA-N 2 1 353.507 0.552 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001194102224 852536759 /nfs/dbraw/zinc/53/67/59/852536759.db2.gz FINJDZAUPJMENI-BRWVUGGUSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001194102224 852536763 /nfs/dbraw/zinc/53/67/63/852536763.db2.gz FINJDZAUPJMENI-BRWVUGGUSA-N 2 1 353.438 0.706 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102192 852537540 /nfs/dbraw/zinc/53/75/40/852537540.db2.gz DJPDOSZCDHZIIU-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264857 852568960 /nfs/dbraw/zinc/56/89/60/852568960.db2.gz IBQUMUMZYXRWQS-BFHYXJOUSA-N 2 1 356.511 0.181 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001194321084 852578932 /nfs/dbraw/zinc/57/89/32/852578932.db2.gz GSLASHKPWYTCKC-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001194321084 852578936 /nfs/dbraw/zinc/57/89/36/852578936.db2.gz GSLASHKPWYTCKC-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001194321084 852578940 /nfs/dbraw/zinc/57/89/40/852578940.db2.gz GSLASHKPWYTCKC-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001194321084 852578941 /nfs/dbraw/zinc/57/89/41/852578941.db2.gz GSLASHKPWYTCKC-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982469 852685604 /nfs/dbraw/zinc/68/56/04/852685604.db2.gz LCDFSGQKPSAFPF-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982862 852687259 /nfs/dbraw/zinc/68/72/59/852687259.db2.gz SHEGOMFUWBIPOH-GVDBMIGSSA-N 2 1 355.523 0.821 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C(C)C ZINC001195870725 852837330 /nfs/dbraw/zinc/83/73/30/852837330.db2.gz KRFPIYAGTBYAFB-BZUAXINKSA-N 2 1 356.511 0.133 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C(C)C ZINC001195870725 852837337 /nfs/dbraw/zinc/83/73/37/852837337.db2.gz KRFPIYAGTBYAFB-BZUAXINKSA-N 2 1 356.511 0.133 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001195871619 852837750 /nfs/dbraw/zinc/83/77/50/852837750.db2.gz QQJHQFMTFBZOIM-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123996 852895525 /nfs/dbraw/zinc/89/55/25/852895525.db2.gz XWODYMALNPWHKI-BRWVUGGUSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123996 852895532 /nfs/dbraw/zinc/89/55/32/852895532.db2.gz XWODYMALNPWHKI-BRWVUGGUSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196130920 852896938 /nfs/dbraw/zinc/89/69/38/852896938.db2.gz MIBDKGKLTDZOOD-MGPQQGTHSA-N 2 1 351.438 0.550 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196130920 852896943 /nfs/dbraw/zinc/89/69/43/852896943.db2.gz MIBDKGKLTDZOOD-MGPQQGTHSA-N 2 1 351.438 0.550 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196206689 852913554 /nfs/dbraw/zinc/91/35/54/852913554.db2.gz GDOIOYNHNDBLSX-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196206689 852913559 /nfs/dbraw/zinc/91/35/59/852913559.db2.gz GDOIOYNHNDBLSX-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cn1 ZINC001196206689 852913562 /nfs/dbraw/zinc/91/35/62/852913562.db2.gz GDOIOYNHNDBLSX-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cn1 ZINC001196206689 852913568 /nfs/dbraw/zinc/91/35/68/852913568.db2.gz GDOIOYNHNDBLSX-HZPDHXFCSA-N 2 1 351.495 0.102 20 0 FCADMP CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222027 852919326 /nfs/dbraw/zinc/91/93/26/852919326.db2.gz FYFUHMWUACTMAD-RRFJBIMHSA-N 2 1 356.511 0.040 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O ZINC001196940332 853035527 /nfs/dbraw/zinc/03/55/27/853035527.db2.gz QNBROTAINHIADT-IAGOWNOFSA-N 2 1 359.486 0.790 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001196940332 853035534 /nfs/dbraw/zinc/03/55/34/853035534.db2.gz QNBROTAINHIADT-IAGOWNOFSA-N 2 1 359.486 0.790 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001197000715 853047479 /nfs/dbraw/zinc/04/74/79/853047479.db2.gz IPXJGNAWKHEGDD-IAGOWNOFSA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001197000715 853047483 /nfs/dbraw/zinc/04/74/83/853047483.db2.gz IPXJGNAWKHEGDD-IAGOWNOFSA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001197000715 853047484 /nfs/dbraw/zinc/04/74/84/853047484.db2.gz IPXJGNAWKHEGDD-IAGOWNOFSA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001197000715 853047489 /nfs/dbraw/zinc/04/74/89/853047489.db2.gz IPXJGNAWKHEGDD-IAGOWNOFSA-N 2 1 351.495 0.557 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197724208 853153245 /nfs/dbraw/zinc/15/32/45/853153245.db2.gz PXQIOKVQAZOVMU-BRWVUGGUSA-N 2 1 359.511 0.057 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775845 853160565 /nfs/dbraw/zinc/16/05/65/853160565.db2.gz OJRSIYAHVJVUIT-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775845 853160572 /nfs/dbraw/zinc/16/05/72/853160572.db2.gz OJRSIYAHVJVUIT-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775845 853160576 /nfs/dbraw/zinc/16/05/76/853160576.db2.gz OJRSIYAHVJVUIT-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2c(C)onc2CC)C[C@H]1O ZINC001197996697 853200394 /nfs/dbraw/zinc/20/03/94/853200394.db2.gz DJJQJZGGTDFOEO-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)onc2CC)C[C@H]1O ZINC001197996697 853200401 /nfs/dbraw/zinc/20/04/01/853200401.db2.gz DJJQJZGGTDFOEO-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)onc2CC)C[C@H]1O ZINC001197996697 853200411 /nfs/dbraw/zinc/20/04/11/853200411.db2.gz DJJQJZGGTDFOEO-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2c(C)onc2CC)C[C@H]1O ZINC001197996697 853200418 /nfs/dbraw/zinc/20/04/18/853200418.db2.gz DJJQJZGGTDFOEO-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)onc2CC)C[C@H]1O ZINC001197996697 853200427 /nfs/dbraw/zinc/20/04/27/853200427.db2.gz DJJQJZGGTDFOEO-IAGOWNOFSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cccc(OCC)n2)C[C@H]1O ZINC001198020108 853204859 /nfs/dbraw/zinc/20/48/59/853204859.db2.gz FSZCDGMIFDUDTH-HZPDHXFCSA-N 2 1 350.463 0.483 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001198729118 853307494 /nfs/dbraw/zinc/30/74/94/853307494.db2.gz AHXQQGUIOYLKJD-RCCFBDPRSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001198729488 853307698 /nfs/dbraw/zinc/30/76/98/853307698.db2.gz OQEJINYEGIIGTF-KZNAEPCWSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001198729718 853309203 /nfs/dbraw/zinc/30/92/03/853309203.db2.gz YWZXSJZEAKPDGO-RCCFBDPRSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001199370122 853413783 /nfs/dbraw/zinc/41/37/83/853413783.db2.gz LGPOJQHNSLUEJB-RCCFBDPRSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCC3CC3)C2)CC[N@H+]1C ZINC001200546221 853502477 /nfs/dbraw/zinc/50/24/77/853502477.db2.gz AGTGXXWTTYOIBI-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230453 853521158 /nfs/dbraw/zinc/52/11/58/853521158.db2.gz ROEYLNMSHZXWCE-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230453 853521163 /nfs/dbraw/zinc/52/11/63/853521163.db2.gz ROEYLNMSHZXWCE-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001205334804 853603859 /nfs/dbraw/zinc/60/38/59/853603859.db2.gz RDHBLPWEGJLZIO-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001205334795 853603900 /nfs/dbraw/zinc/60/39/00/853603900.db2.gz RAMNSZJZPAHPSW-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205516828 853619333 /nfs/dbraw/zinc/61/93/33/853619333.db2.gz XJIPGUSVKILCBD-YESZJQIVSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205686115 853626932 /nfs/dbraw/zinc/62/69/32/853626932.db2.gz UBKSBELDYQBZQP-GOEBONIOSA-N 2 1 350.438 0.535 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955355 853764776 /nfs/dbraw/zinc/76/47/76/853764776.db2.gz RJWBOALKKUQOPH-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955355 853764782 /nfs/dbraw/zinc/76/47/82/853764782.db2.gz RJWBOALKKUQOPH-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955355 853764786 /nfs/dbraw/zinc/76/47/86/853764786.db2.gz RJWBOALKKUQOPH-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001206955355 853764790 /nfs/dbraw/zinc/76/47/90/853764790.db2.gz RJWBOALKKUQOPH-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC001207437722 853812637 /nfs/dbraw/zinc/81/26/37/853812637.db2.gz XQHMTBBGDLJATB-UHFFFAOYSA-N 3 1 352.523 0.489 20 0 FCADMP CN(C)C(=O)CN1CCOCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC001207437722 853812639 /nfs/dbraw/zinc/81/26/39/853812639.db2.gz XQHMTBBGDLJATB-UHFFFAOYSA-N 2 1 352.523 0.489 20 0 FCADMP O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2CC2CC[NH2+]CC2)O1 ZINC001207435932 853813568 /nfs/dbraw/zinc/81/35/68/853813568.db2.gz ZYROOVJWWFPSTB-KURKYZTESA-N 2 1 351.491 0.761 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001207484077 853818850 /nfs/dbraw/zinc/81/88/50/853818850.db2.gz NNLDIDHDYSSKQA-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207539016 853821996 /nfs/dbraw/zinc/82/19/96/853821996.db2.gz XDIKCALLIFQLJN-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207539016 853821999 /nfs/dbraw/zinc/82/19/99/853821999.db2.gz XDIKCALLIFQLJN-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550651 853824080 /nfs/dbraw/zinc/82/40/80/853824080.db2.gz DQUDHRQFEKUFBH-DAXOMENPSA-N 2 1 366.531 0.995 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550651 853824084 /nfs/dbraw/zinc/82/40/84/853824084.db2.gz DQUDHRQFEKUFBH-DAXOMENPSA-N 2 1 366.531 0.995 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CC1 ZINC001207563167 853825785 /nfs/dbraw/zinc/82/57/85/853825785.db2.gz HRYZGRNEWJQPNN-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CC1 ZINC001207563167 853825789 /nfs/dbraw/zinc/82/57/89/853825789.db2.gz HRYZGRNEWJQPNN-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C1CC1 ZINC001207563167 853825792 /nfs/dbraw/zinc/82/57/92/853825792.db2.gz HRYZGRNEWJQPNN-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C1CC1 ZINC001207563167 853825796 /nfs/dbraw/zinc/82/57/96/853825796.db2.gz HRYZGRNEWJQPNN-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568256 853827467 /nfs/dbraw/zinc/82/74/67/853827467.db2.gz YETFJIOUGFWWOS-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568256 853827471 /nfs/dbraw/zinc/82/74/71/853827471.db2.gz YETFJIOUGFWWOS-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568256 853827474 /nfs/dbraw/zinc/82/74/74/853827474.db2.gz YETFJIOUGFWWOS-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568256 853827477 /nfs/dbraw/zinc/82/74/77/853827477.db2.gz YETFJIOUGFWWOS-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1C ZINC001208004886 853881968 /nfs/dbraw/zinc/88/19/68/853881968.db2.gz JBCSKJFAHVUGRH-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1C ZINC001208004886 853881971 /nfs/dbraw/zinc/88/19/71/853881971.db2.gz JBCSKJFAHVUGRH-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001208070085 853890767 /nfs/dbraw/zinc/89/07/67/853890767.db2.gz CPKYLCMYZXXCIN-JHJVBQTASA-N 2 1 366.491 0.397 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208106750 853896996 /nfs/dbraw/zinc/89/69/96/853896996.db2.gz JXKHGBMWPZUOLX-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163495 853901945 /nfs/dbraw/zinc/90/19/45/853901945.db2.gz HVLYGWOWZXTHIA-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001208407638 853929125 /nfs/dbraw/zinc/92/91/25/853929125.db2.gz GIBCGATUFOMSRP-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001208407638 853929128 /nfs/dbraw/zinc/92/91/28/853929128.db2.gz GIBCGATUFOMSRP-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208494040 853941711 /nfs/dbraw/zinc/94/17/11/853941711.db2.gz CBLFROJVMFAKKU-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208494040 853941715 /nfs/dbraw/zinc/94/17/15/853941715.db2.gz CBLFROJVMFAKKU-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496391 853942992 /nfs/dbraw/zinc/94/29/92/853942992.db2.gz RPGKGRPYSDLADQ-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496391 853942998 /nfs/dbraw/zinc/94/29/98/853942998.db2.gz RPGKGRPYSDLADQ-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495863 853943448 /nfs/dbraw/zinc/94/34/48/853943448.db2.gz APHZHXVVDXMHRD-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495863 853943451 /nfs/dbraw/zinc/94/34/51/853943451.db2.gz APHZHXVVDXMHRD-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001208604808 853958550 /nfs/dbraw/zinc/95/85/50/853958550.db2.gz WHVOWCJLJGBFRL-QGZVFWFLSA-N 2 1 350.507 0.587 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208610966 853960120 /nfs/dbraw/zinc/96/01/20/853960120.db2.gz SLGOTNRQUYLVSO-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001208699873 853967957 /nfs/dbraw/zinc/96/79/57/853967957.db2.gz XWQBPMDBSBEQCU-UPJWGTAASA-N 2 1 366.428 0.832 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CC1COC(C)(C)OC1)CCC2 ZINC001209195773 854004110 /nfs/dbraw/zinc/00/41/10/854004110.db2.gz HNZLRZXRNHGLPJ-UHFFFAOYSA-N 2 1 350.463 0.910 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CC1COC(C)(C)OC1)CCC2 ZINC001209195773 854004118 /nfs/dbraw/zinc/00/41/18/854004118.db2.gz HNZLRZXRNHGLPJ-UHFFFAOYSA-N 2 1 350.463 0.910 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](CCN1CCOCC1)CCC2 ZINC001209292098 854016271 /nfs/dbraw/zinc/01/62/71/854016271.db2.gz KQCLGQAVPWHQSE-UHFFFAOYSA-N 2 1 351.495 0.499 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CCN1CCOCC1)CCC2 ZINC001209292098 854016277 /nfs/dbraw/zinc/01/62/77/854016277.db2.gz KQCLGQAVPWHQSE-UHFFFAOYSA-N 2 1 351.495 0.499 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001209635751 854042765 /nfs/dbraw/zinc/04/27/65/854042765.db2.gz WVEBSZAUMBJURA-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001209635751 854042768 /nfs/dbraw/zinc/04/27/68/854042768.db2.gz WVEBSZAUMBJURA-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837522 854058340 /nfs/dbraw/zinc/05/83/40/854058340.db2.gz ZXFRVPYFAMOHLC-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210033258 854071153 /nfs/dbraw/zinc/07/11/53/854071153.db2.gz LCQQXXCKEYGXTL-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210033258 854071159 /nfs/dbraw/zinc/07/11/59/854071159.db2.gz LCQQXXCKEYGXTL-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210033258 854071164 /nfs/dbraw/zinc/07/11/64/854071164.db2.gz LCQQXXCKEYGXTL-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210033258 854071169 /nfs/dbraw/zinc/07/11/69/854071169.db2.gz LCQQXXCKEYGXTL-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297185 854097299 /nfs/dbraw/zinc/09/72/99/854097299.db2.gz CYYCIVQJSVAAAY-IXDOHACOSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298737 854098802 /nfs/dbraw/zinc/09/88/02/854098802.db2.gz RZFAECYVTJJSMM-RBSFLKMASA-N 2 1 356.511 0.304 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298737 854098809 /nfs/dbraw/zinc/09/88/09/854098809.db2.gz RZFAECYVTJJSMM-RBSFLKMASA-N 2 1 356.511 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315204 854099692 /nfs/dbraw/zinc/09/96/92/854099692.db2.gz MGKXYOQCYMSKRX-JHJVBQTASA-N 2 1 355.401 0.314 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330175 854101476 /nfs/dbraw/zinc/10/14/76/854101476.db2.gz QIRCLJJRSPDPIC-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330175 854101480 /nfs/dbraw/zinc/10/14/80/854101480.db2.gz QIRCLJJRSPDPIC-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001210484718 854113990 /nfs/dbraw/zinc/11/39/90/854113990.db2.gz ADBXWONSPMVJPF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001210484718 854113991 /nfs/dbraw/zinc/11/39/91/854113991.db2.gz ADBXWONSPMVJPF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001210484718 854113992 /nfs/dbraw/zinc/11/39/92/854113992.db2.gz ADBXWONSPMVJPF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001210484718 854113993 /nfs/dbraw/zinc/11/39/93/854113993.db2.gz ADBXWONSPMVJPF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001210499394 854114329 /nfs/dbraw/zinc/11/43/29/854114329.db2.gz YCDZMBVQYXIOBU-BRWVUGGUSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001210499394 854114335 /nfs/dbraw/zinc/11/43/35/854114335.db2.gz YCDZMBVQYXIOBU-BRWVUGGUSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001210499394 854114336 /nfs/dbraw/zinc/11/43/36/854114336.db2.gz YCDZMBVQYXIOBU-BRWVUGGUSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521537 854115928 /nfs/dbraw/zinc/11/59/28/854115928.db2.gz HOGGDFLTUJCFGX-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521537 854115931 /nfs/dbraw/zinc/11/59/31/854115931.db2.gz HOGGDFLTUJCFGX-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521537 854115935 /nfs/dbraw/zinc/11/59/35/854115935.db2.gz HOGGDFLTUJCFGX-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521537 854115937 /nfs/dbraw/zinc/11/59/37/854115937.db2.gz HOGGDFLTUJCFGX-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444103 854200144 /nfs/dbraw/zinc/20/01/44/854200144.db2.gz OTBYPDSDXZBJQG-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254466 854416820 /nfs/dbraw/zinc/41/68/20/854416820.db2.gz XJIMAJGEVRFBJV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254466 854416823 /nfs/dbraw/zinc/41/68/23/854416823.db2.gz XJIMAJGEVRFBJV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212254466 854416825 /nfs/dbraw/zinc/41/68/25/854416825.db2.gz XJIMAJGEVRFBJV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254466 854416827 /nfs/dbraw/zinc/41/68/27/854416827.db2.gz XJIMAJGEVRFBJV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001212403603 854465080 /nfs/dbraw/zinc/46/50/80/854465080.db2.gz OFIFCWYWWFCYCJ-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001212403603 854465084 /nfs/dbraw/zinc/46/50/84/854465084.db2.gz OFIFCWYWWFCYCJ-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001212403603 854465087 /nfs/dbraw/zinc/46/50/87/854465087.db2.gz OFIFCWYWWFCYCJ-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407744 854465908 /nfs/dbraw/zinc/46/59/08/854465908.db2.gz DTQDHDFFHMRKSG-MCIONIFRSA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407744 854465915 /nfs/dbraw/zinc/46/59/15/854465915.db2.gz DTQDHDFFHMRKSG-MCIONIFRSA-N 2 1 361.433 0.710 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001212483907 854497506 /nfs/dbraw/zinc/49/75/06/854497506.db2.gz YCFKQURZXTVRJV-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001212483907 854497516 /nfs/dbraw/zinc/49/75/16/854497516.db2.gz YCFKQURZXTVRJV-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212483907 854497524 /nfs/dbraw/zinc/49/75/24/854497524.db2.gz YCFKQURZXTVRJV-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212483907 854497528 /nfs/dbraw/zinc/49/75/28/854497528.db2.gz YCFKQURZXTVRJV-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001212509487 854506690 /nfs/dbraw/zinc/50/66/90/854506690.db2.gz CNRBSOAJXAUUCR-IAGOWNOFSA-N 2 1 351.491 0.857 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001212509487 854506693 /nfs/dbraw/zinc/50/66/93/854506693.db2.gz CNRBSOAJXAUUCR-IAGOWNOFSA-N 2 1 351.491 0.857 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348408 854584820 /nfs/dbraw/zinc/58/48/20/854584820.db2.gz LLKPQCQZDKZARF-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348408 854584825 /nfs/dbraw/zinc/58/48/25/854584825.db2.gz LLKPQCQZDKZARF-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399967 854602666 /nfs/dbraw/zinc/60/26/66/854602666.db2.gz UAWLKBJNOQOMQZ-BRWVUGGUSA-N 2 1 351.495 0.364 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399967 854602671 /nfs/dbraw/zinc/60/26/71/854602671.db2.gz UAWLKBJNOQOMQZ-BRWVUGGUSA-N 2 1 351.495 0.364 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213598243 854680078 /nfs/dbraw/zinc/68/00/78/854680078.db2.gz DXNADBJJVMXFRR-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213599207 854680480 /nfs/dbraw/zinc/68/04/80/854680480.db2.gz WPNPKZJVFOWVNW-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1)OC ZINC001213638554 854694516 /nfs/dbraw/zinc/69/45/16/854694516.db2.gz UBSCPSQLNZHQSP-DJIMGWMZSA-N 2 1 357.495 0.338 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671598 854708775 /nfs/dbraw/zinc/70/87/75/854708775.db2.gz NTIMSBVFTDCICU-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671598 854708780 /nfs/dbraw/zinc/70/87/80/854708780.db2.gz NTIMSBVFTDCICU-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671598 854708784 /nfs/dbraw/zinc/70/87/84/854708784.db2.gz NTIMSBVFTDCICU-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671598 854708788 /nfs/dbraw/zinc/70/87/88/854708788.db2.gz NTIMSBVFTDCICU-BZUAXINKSA-N 2 1 356.511 0.401 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678273 854711867 /nfs/dbraw/zinc/71/18/67/854711867.db2.gz MSEZXHNMICCZGG-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678273 854711873 /nfs/dbraw/zinc/71/18/73/854711873.db2.gz MSEZXHNMICCZGG-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678273 854711880 /nfs/dbraw/zinc/71/18/80/854711880.db2.gz MSEZXHNMICCZGG-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C2)cn1 ZINC001213678407 854712984 /nfs/dbraw/zinc/71/29/84/854712984.db2.gz UNUQQSBSTOYOOP-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C2)cn1 ZINC001213678407 854712996 /nfs/dbraw/zinc/71/29/96/854712996.db2.gz UNUQQSBSTOYOOP-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C2)cn1 ZINC001213678407 854713005 /nfs/dbraw/zinc/71/30/05/854713005.db2.gz UNUQQSBSTOYOOP-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747796 854749040 /nfs/dbraw/zinc/74/90/40/854749040.db2.gz RERPDDGPGYMQSU-IAGOWNOFSA-N 2 1 351.495 0.510 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213757962 854753762 /nfs/dbraw/zinc/75/37/62/854753762.db2.gz ZETWIACQBJHNPA-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213757962 854753764 /nfs/dbraw/zinc/75/37/64/854753764.db2.gz ZETWIACQBJHNPA-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213757962 854753766 /nfs/dbraw/zinc/75/37/66/854753766.db2.gz ZETWIACQBJHNPA-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213757962 854753768 /nfs/dbraw/zinc/75/37/68/854753768.db2.gz ZETWIACQBJHNPA-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765098 854758601 /nfs/dbraw/zinc/75/86/01/854758601.db2.gz UGJBIIPYTUEKDP-BZUAXINKSA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765098 854758607 /nfs/dbraw/zinc/75/86/07/854758607.db2.gz UGJBIIPYTUEKDP-BZUAXINKSA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765098 854758613 /nfs/dbraw/zinc/75/86/13/854758613.db2.gz UGJBIIPYTUEKDP-BZUAXINKSA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765098 854758616 /nfs/dbraw/zinc/75/86/16/854758616.db2.gz UGJBIIPYTUEKDP-BZUAXINKSA-N 2 1 356.511 0.578 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767176 854758705 /nfs/dbraw/zinc/75/87/05/854758705.db2.gz GVLFXKDREUXLRO-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767176 854758712 /nfs/dbraw/zinc/75/87/12/854758712.db2.gz GVLFXKDREUXLRO-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767176 854758719 /nfs/dbraw/zinc/75/87/19/854758719.db2.gz GVLFXKDREUXLRO-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213767176 854758722 /nfs/dbraw/zinc/75/87/22/854758722.db2.gz GVLFXKDREUXLRO-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213859782 854795063 /nfs/dbraw/zinc/79/50/63/854795063.db2.gz KOAWXCDOBTWPNX-BFHYXJOUSA-N 2 1 367.412 0.723 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213859782 854795066 /nfs/dbraw/zinc/79/50/66/854795066.db2.gz KOAWXCDOBTWPNX-BFHYXJOUSA-N 2 1 367.412 0.723 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213859782 854795071 /nfs/dbraw/zinc/79/50/71/854795071.db2.gz KOAWXCDOBTWPNX-BFHYXJOUSA-N 2 1 367.412 0.723 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893067 854813722 /nfs/dbraw/zinc/81/37/22/854813722.db2.gz YNXKHOZIZHPFHV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893067 854813733 /nfs/dbraw/zinc/81/37/33/854813733.db2.gz YNXKHOZIZHPFHV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893067 854813737 /nfs/dbraw/zinc/81/37/37/854813737.db2.gz YNXKHOZIZHPFHV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893067 854813761 /nfs/dbraw/zinc/81/37/61/854813761.db2.gz YNXKHOZIZHPFHV-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001214336256 854927577 /nfs/dbraw/zinc/92/75/77/854927577.db2.gz ZSGXIDNKXLQIOK-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C)n1 ZINC001214757405 855003150 /nfs/dbraw/zinc/00/31/50/855003150.db2.gz LPPPWMXKPBGMCD-FVQBIDKESA-N 2 1 354.474 0.914 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001214845407 855021792 /nfs/dbraw/zinc/02/17/92/855021792.db2.gz RWLGVMGLTPBOGQ-OWCLPIDISA-N 2 1 359.536 0.445 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845555 855022118 /nfs/dbraw/zinc/02/21/18/855022118.db2.gz ZFWLVSDHXYUGSI-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214863400 855025614 /nfs/dbraw/zinc/02/56/14/855025614.db2.gz LGVWHFDNGAWYQH-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214968751 855041636 /nfs/dbraw/zinc/04/16/36/855041636.db2.gz ALUIRDSAZPPJMC-UPJWGTAASA-N 2 1 366.491 0.397 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214968763 855042196 /nfs/dbraw/zinc/04/21/96/855042196.db2.gz AYVGUENTRCJPBO-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968868 855042261 /nfs/dbraw/zinc/04/22/61/855042261.db2.gz FFKZVNVVXQITCK-OAGGEKHMSA-N 2 1 359.536 0.732 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001214997554 855049805 /nfs/dbraw/zinc/04/98/05/855049805.db2.gz JNTCNPMPLABXHR-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184589 855078916 /nfs/dbraw/zinc/07/89/16/855078916.db2.gz KJNVXTYWZFYULB-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001215421592 855112767 /nfs/dbraw/zinc/11/27/67/855112767.db2.gz HPTIHAXFRWPELX-CHWSQXEVSA-N 2 1 358.437 0.822 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215774535 855144797 /nfs/dbraw/zinc/14/47/97/855144797.db2.gz RIHFYJWIAULCAT-BZUAXINKSA-N 2 1 359.536 0.730 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215774535 855144802 /nfs/dbraw/zinc/14/48/02/855144802.db2.gz RIHFYJWIAULCAT-BZUAXINKSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC001215938448 855157807 /nfs/dbraw/zinc/15/78/07/855157807.db2.gz ALALLIXPDRCRRP-KFWWJZLASA-N 2 1 361.433 0.569 20 0 FCADMP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402167 855199116 /nfs/dbraw/zinc/19/91/16/855199116.db2.gz WFVROAYERBBTSC-HUUCEWRRSA-N 2 1 352.483 0.203 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216495005 855208444 /nfs/dbraw/zinc/20/84/44/855208444.db2.gz VAMMXKKGMPINQO-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nnc(C)s2)C1 ZINC001216503907 855208795 /nfs/dbraw/zinc/20/87/95/855208795.db2.gz ZFWOUGMHLIVIRU-DGCLKSJQSA-N 2 1 368.507 0.563 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216754370 855232463 /nfs/dbraw/zinc/23/24/63/855232463.db2.gz REEIWNOUZDYONH-QLFBSQMISA-N 2 1 353.511 0.472 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)(F)F)C2)C1 ZINC001216801885 855247236 /nfs/dbraw/zinc/24/72/36/855247236.db2.gz WSCJXYDFOYHNKM-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC(F)(F)F)C2)C1 ZINC001216801885 855247238 /nfs/dbraw/zinc/24/72/38/855247238.db2.gz WSCJXYDFOYHNKM-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216844878 855256425 /nfs/dbraw/zinc/25/64/25/855256425.db2.gz MRHJAEQLRACDFZ-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216844945 855256950 /nfs/dbraw/zinc/25/69/50/855256950.db2.gz PXUAYHFQQQEWTG-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1 ZINC001216852119 855260896 /nfs/dbraw/zinc/26/08/96/855260896.db2.gz PSTLGNPUINAEHN-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001218126938 855399309 /nfs/dbraw/zinc/39/93/09/855399309.db2.gz HBXLFEHXOLBZSB-FVMDXXJSSA-N 2 1 352.391 0.062 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218355373 855417448 /nfs/dbraw/zinc/41/74/48/855417448.db2.gz MRWQYLPCQYXXDW-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC001218356130 855418289 /nfs/dbraw/zinc/41/82/89/855418289.db2.gz YEIDNGGHYGKLLV-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363007 855418300 /nfs/dbraw/zinc/41/83/00/855418300.db2.gz FYWBYYSNOQPJTI-RYQLBKOJSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363007 855418304 /nfs/dbraw/zinc/41/83/04/855418304.db2.gz FYWBYYSNOQPJTI-RYQLBKOJSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363007 855418307 /nfs/dbraw/zinc/41/83/07/855418307.db2.gz FYWBYYSNOQPJTI-RYQLBKOJSA-N 2 1 353.507 0.933 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]21 ZINC001218582823 855444841 /nfs/dbraw/zinc/44/48/41/855444841.db2.gz UVAVZUIMGVUFDL-UONOGXRCSA-N 2 1 367.412 0.819 20 0 FCADMP C[C@@H](COCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21)[NH+]1CCCC1 ZINC001218650704 855458581 /nfs/dbraw/zinc/45/85/81/855458581.db2.gz IBPGSTQKQZYDER-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789946 855479725 /nfs/dbraw/zinc/47/97/25/855479725.db2.gz XNRPOYTYIQYDKM-DLBZAZTESA-N 2 1 355.479 0.047 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789946 855479729 /nfs/dbraw/zinc/47/97/29/855479729.db2.gz XNRPOYTYIQYDKM-DLBZAZTESA-N 2 1 355.479 0.047 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965542 855504570 /nfs/dbraw/zinc/50/45/70/855504570.db2.gz NPDHWUYXJBPHKV-DLBZAZTESA-N 2 1 351.491 0.809 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965219 855504639 /nfs/dbraw/zinc/50/46/39/855504639.db2.gz HPXZQSRUNSKBHB-QLFBSQMISA-N 2 1 361.433 0.522 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965219 855504642 /nfs/dbraw/zinc/50/46/42/855504642.db2.gz HPXZQSRUNSKBHB-QLFBSQMISA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965219 855504645 /nfs/dbraw/zinc/50/46/45/855504645.db2.gz HPXZQSRUNSKBHB-QLFBSQMISA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965219 855504648 /nfs/dbraw/zinc/50/46/48/855504648.db2.gz HPXZQSRUNSKBHB-QLFBSQMISA-N 2 1 361.433 0.522 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043493 855524129 /nfs/dbraw/zinc/52/41/29/855524129.db2.gz AFZGGWGUGWJDKN-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043493 855524131 /nfs/dbraw/zinc/52/41/31/855524131.db2.gz AFZGGWGUGWJDKN-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219043493 855524133 /nfs/dbraw/zinc/52/41/33/855524133.db2.gz AFZGGWGUGWJDKN-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219043493 855524136 /nfs/dbraw/zinc/52/41/36/855524136.db2.gz AFZGGWGUGWJDKN-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP Nc1c(F)cccc1N(C(=O)[C@@H](N)CSCC[NH3+])C1CC[NH2+]CC1 ZINC001219283435 855616196 /nfs/dbraw/zinc/61/61/96/855616196.db2.gz NUOIHPAXLZHCAP-ZDUSSCGKSA-N 2 1 355.483 0.512 20 0 FCADMP N[C@@H](CSCC[NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302977 855622441 /nfs/dbraw/zinc/62/24/41/855622441.db2.gz DHWWWVHHMUBINN-ZDUSSCGKSA-N 2 1 356.467 0.914 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1O ZINC001219665672 855760967 /nfs/dbraw/zinc/76/09/67/855760967.db2.gz SPBFAMOAECVVEB-OAGGEKHMSA-N 2 1 352.479 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1O ZINC001219665672 855760970 /nfs/dbraw/zinc/76/09/70/855760970.db2.gz SPBFAMOAECVVEB-OAGGEKHMSA-N 2 1 352.479 0.985 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219724402 855785389 /nfs/dbraw/zinc/78/53/89/855785389.db2.gz JVAYBMSKXHRVQK-ZACQAIPSSA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219724402 855785396 /nfs/dbraw/zinc/78/53/96/855785396.db2.gz JVAYBMSKXHRVQK-ZACQAIPSSA-N 2 1 359.486 0.644 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219793628 855814384 /nfs/dbraw/zinc/81/43/84/855814384.db2.gz JJQWWXUNVHOQJS-BEFAXECRSA-N 2 1 350.507 0.478 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219793359 855815085 /nfs/dbraw/zinc/81/50/85/855815085.db2.gz DUDSCSYLBMFBGU-IEBWSBKVSA-N 2 1 350.507 0.478 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219794149 855815139 /nfs/dbraw/zinc/81/51/39/855815139.db2.gz RWWQDTZRMBIHIX-HNNXBMFYSA-N 2 1 350.507 0.478 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798014 855818630 /nfs/dbraw/zinc/81/86/30/855818630.db2.gz CKNOYGKVYWKABM-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798014 855818632 /nfs/dbraw/zinc/81/86/32/855818632.db2.gz CKNOYGKVYWKABM-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798014 855818633 /nfs/dbraw/zinc/81/86/33/855818633.db2.gz CKNOYGKVYWKABM-KSZLIROESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001219848791 855844686 /nfs/dbraw/zinc/84/46/86/855844686.db2.gz UXTPRRLNTJZCNQ-RDBSUJKOSA-N 2 1 369.428 0.703 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001219866829 855853892 /nfs/dbraw/zinc/85/38/92/855853892.db2.gz ARPQOBQDRJZAPJ-KGLIPLIRSA-N 2 1 361.433 0.305 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001219866829 855853896 /nfs/dbraw/zinc/85/38/96/855853896.db2.gz ARPQOBQDRJZAPJ-KGLIPLIRSA-N 2 1 361.433 0.305 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219918733 855878430 /nfs/dbraw/zinc/87/84/30/855878430.db2.gz QGRFXMAFWJNWLG-OAHLLOKOSA-N 2 1 351.447 0.210 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922703 855879890 /nfs/dbraw/zinc/87/98/90/855879890.db2.gz CHNJQEZHOZVOAF-OIISXLGYSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922703 855879896 /nfs/dbraw/zinc/87/98/96/855879896.db2.gz CHNJQEZHOZVOAF-OIISXLGYSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922703 855879900 /nfs/dbraw/zinc/87/99/00/855879900.db2.gz CHNJQEZHOZVOAF-OIISXLGYSA-N 2 1 355.523 0.962 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCn1cc[nH+]c1C ZINC001219934397 855887358 /nfs/dbraw/zinc/88/73/58/855887358.db2.gz DADLIBUBGSQMRM-QEJZJMRPSA-N 2 1 369.535 0.919 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220058079 855937557 /nfs/dbraw/zinc/93/75/57/855937557.db2.gz SAWOYASZMAMOKN-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CCCC1 ZINC001220077929 855948865 /nfs/dbraw/zinc/94/88/65/855948865.db2.gz BSFABRXFLOVNCE-BBWFWOEESA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209616 856009324 /nfs/dbraw/zinc/00/93/24/856009324.db2.gz XUKIDDCGTPNQFR-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209616 856009334 /nfs/dbraw/zinc/00/93/34/856009334.db2.gz XUKIDDCGTPNQFR-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209616 856009339 /nfs/dbraw/zinc/00/93/39/856009339.db2.gz XUKIDDCGTPNQFR-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CC(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001220228140 856022564 /nfs/dbraw/zinc/02/25/64/856022564.db2.gz BLBPRJZBBLCLDZ-SUMWQHHRSA-N 2 1 355.385 0.903 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CC(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228140 856022569 /nfs/dbraw/zinc/02/25/69/856022569.db2.gz BLBPRJZBBLCLDZ-SUMWQHHRSA-N 2 1 355.385 0.903 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387757 856100760 /nfs/dbraw/zinc/10/07/60/856100760.db2.gz POTAHNCMRQBPIT-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388029 856102040 /nfs/dbraw/zinc/10/20/40/856102040.db2.gz YCGVKBFQOYVBPS-UAGQMJEPSA-N 2 1 367.515 0.910 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388029 856102043 /nfs/dbraw/zinc/10/20/43/856102043.db2.gz YCGVKBFQOYVBPS-UAGQMJEPSA-N 2 1 367.515 0.910 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220478605 856146668 /nfs/dbraw/zinc/14/66/68/856146668.db2.gz DWVXPCQKPUXJAJ-MCIONIFRSA-N 2 1 367.412 0.193 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220478605 856146671 /nfs/dbraw/zinc/14/66/71/856146671.db2.gz DWVXPCQKPUXJAJ-MCIONIFRSA-N 2 1 367.412 0.193 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478584 856146777 /nfs/dbraw/zinc/14/67/77/856146777.db2.gz DGUHRQGXOQZHDR-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478584 856146780 /nfs/dbraw/zinc/14/67/80/856146780.db2.gz DGUHRQGXOQZHDR-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001220478584 856146783 /nfs/dbraw/zinc/14/67/83/856146783.db2.gz DGUHRQGXOQZHDR-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001220478584 856146785 /nfs/dbraw/zinc/14/67/85/856146785.db2.gz DGUHRQGXOQZHDR-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220550562 856179277 /nfs/dbraw/zinc/17/92/77/856179277.db2.gz YQDNSEOGMBWPKU-BBWFWOEESA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220550562 856179288 /nfs/dbraw/zinc/17/92/88/856179288.db2.gz YQDNSEOGMBWPKU-BBWFWOEESA-N 2 1 350.463 0.560 20 0 FCADMP [NH3+]C[C@@H](NC(=O)c1nnn2c1C[NH2+]CC2)c1ccc(Br)cc1 ZINC001220617837 856207927 /nfs/dbraw/zinc/20/79/27/856207927.db2.gz WKFLCBARSRXPSE-LLVKDONJSA-N 2 1 365.235 0.574 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)CC1 ZINC001220642408 856216912 /nfs/dbraw/zinc/21/69/12/856216912.db2.gz AFRSDPIPVWQNCB-CABCVRRESA-N 2 1 361.433 0.304 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681877 856240755 /nfs/dbraw/zinc/24/07/55/856240755.db2.gz QOLJKTAZQVEVKE-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681877 856240761 /nfs/dbraw/zinc/24/07/61/856240761.db2.gz QOLJKTAZQVEVKE-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681877 856240773 /nfs/dbraw/zinc/24/07/73/856240773.db2.gz QOLJKTAZQVEVKE-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220681877 856240784 /nfs/dbraw/zinc/24/07/84/856240784.db2.gz QOLJKTAZQVEVKE-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001220689248 856242701 /nfs/dbraw/zinc/24/27/01/856242701.db2.gz BLKFBRPBFRSEDN-CVEARBPZSA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001220689248 856242708 /nfs/dbraw/zinc/24/27/08/856242708.db2.gz BLKFBRPBFRSEDN-CVEARBPZSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220689248 856242713 /nfs/dbraw/zinc/24/27/13/856242713.db2.gz BLKFBRPBFRSEDN-CVEARBPZSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220689248 856242720 /nfs/dbraw/zinc/24/27/20/856242720.db2.gz BLKFBRPBFRSEDN-CVEARBPZSA-N 2 1 353.438 0.708 20 0 FCADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768227 856289069 /nfs/dbraw/zinc/28/90/69/856289069.db2.gz BMDAMEHOZBKAEW-SJORKVTESA-N 2 1 369.893 0.888 20 0 FCADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768227 856289080 /nfs/dbraw/zinc/28/90/80/856289080.db2.gz BMDAMEHOZBKAEW-SJORKVTESA-N 2 1 369.893 0.888 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@@H]1O ZINC001220768547 856289413 /nfs/dbraw/zinc/28/94/13/856289413.db2.gz QOFCGRBJAIITLK-SJORKVTESA-N 2 1 369.893 0.622 20 0 FCADMP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1=O)c1cccc(Cl)c1Cl ZINC001220874657 856351887 /nfs/dbraw/zinc/35/18/87/856351887.db2.gz KOWVNHAIKRHPGE-GFCCVEGCSA-N 2 1 359.257 0.931 20 0 FCADMP Cc1ccc(CSC[C@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2=O)cc1 ZINC001220874201 856352145 /nfs/dbraw/zinc/35/21/45/856352145.db2.gz DMXPYKRRLKPTIK-HNNXBMFYSA-N 2 1 350.488 0.104 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@]3(N)CC[NH2+]C3)CC2)c1 ZINC001220910948 856370085 /nfs/dbraw/zinc/37/00/85/856370085.db2.gz AFEYZWRPNKAHKR-SFHVURJKSA-N 2 1 350.438 0.606 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)c1 ZINC001220911238 856370692 /nfs/dbraw/zinc/37/06/92/856370692.db2.gz KWXKVJKCCBRBRR-IRXDYDNUSA-N 2 1 351.422 0.638 20 0 FCADMP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986019 856409052 /nfs/dbraw/zinc/40/90/52/856409052.db2.gz ORUQNNHSXZHVMC-ICAPBKMHSA-N 2 1 353.507 0.862 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221357982 856555083 /nfs/dbraw/zinc/55/50/83/856555083.db2.gz LQTOYMBRGSUUAD-DZKIICNBSA-N 2 1 356.511 0.339 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccc(Cl)cc1 ZINC001221414998 856560203 /nfs/dbraw/zinc/56/02/03/856560203.db2.gz ZXGXYZSEZHBENU-HRCADAONSA-N 2 1 354.882 0.622 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221615914 856625295 /nfs/dbraw/zinc/62/52/95/856625295.db2.gz APISWUQAHPMBQJ-NUJGCVRESA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221615914 856625296 /nfs/dbraw/zinc/62/52/96/856625296.db2.gz APISWUQAHPMBQJ-NUJGCVRESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616528 856625458 /nfs/dbraw/zinc/62/54/58/856625458.db2.gz OFBZSIKUJAAPKG-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221616528 856625463 /nfs/dbraw/zinc/62/54/63/856625463.db2.gz OFBZSIKUJAAPKG-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221616528 856625466 /nfs/dbraw/zinc/62/54/66/856625466.db2.gz OFBZSIKUJAAPKG-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221842023 856704197 /nfs/dbraw/zinc/70/41/97/856704197.db2.gz SSDSCCWLTDIORK-OWCLPIDISA-N 2 1 350.463 0.547 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221842023 856704199 /nfs/dbraw/zinc/70/41/99/856704199.db2.gz SSDSCCWLTDIORK-OWCLPIDISA-N 2 1 350.463 0.547 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873222 856718528 /nfs/dbraw/zinc/71/85/28/856718528.db2.gz TWJKHGOQQVHLTC-BRWVUGGUSA-N 2 1 350.463 0.512 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873222 856718533 /nfs/dbraw/zinc/71/85/33/856718533.db2.gz TWJKHGOQQVHLTC-BRWVUGGUSA-N 2 1 350.463 0.512 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221919147 856732147 /nfs/dbraw/zinc/73/21/47/856732147.db2.gz AUHZTGPTSYDBIL-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221919147 856732151 /nfs/dbraw/zinc/73/21/51/856732151.db2.gz AUHZTGPTSYDBIL-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221919147 856732158 /nfs/dbraw/zinc/73/21/58/856732158.db2.gz AUHZTGPTSYDBIL-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221919147 856732161 /nfs/dbraw/zinc/73/21/61/856732161.db2.gz AUHZTGPTSYDBIL-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221958266 856749484 /nfs/dbraw/zinc/74/94/84/856749484.db2.gz NASSNIAUCBNHHN-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221958266 856749487 /nfs/dbraw/zinc/74/94/87/856749487.db2.gz NASSNIAUCBNHHN-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221973675 856755379 /nfs/dbraw/zinc/75/53/79/856755379.db2.gz JGMVAMJZQNICAJ-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221973675 856755389 /nfs/dbraw/zinc/75/53/89/856755389.db2.gz JGMVAMJZQNICAJ-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221973675 856755394 /nfs/dbraw/zinc/75/53/94/856755394.db2.gz JGMVAMJZQNICAJ-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656420 856862525 /nfs/dbraw/zinc/86/25/25/856862525.db2.gz HLIKCFKGMHECIP-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656420 856862530 /nfs/dbraw/zinc/86/25/30/856862530.db2.gz HLIKCFKGMHECIP-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001222656420 856862534 /nfs/dbraw/zinc/86/25/34/856862534.db2.gz HLIKCFKGMHECIP-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001222656420 856862539 /nfs/dbraw/zinc/86/25/39/856862539.db2.gz HLIKCFKGMHECIP-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892487 856880652 /nfs/dbraw/zinc/88/06/52/856880652.db2.gz QBCASXAOORVBOH-HFTRVMKXSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222892862 856881577 /nfs/dbraw/zinc/88/15/77/856881577.db2.gz SFFGOFXAMRXFDU-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21 ZINC001223684614 856938246 /nfs/dbraw/zinc/93/82/46/856938246.db2.gz USXMQQYDCXBQRX-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21 ZINC001223684614 856938250 /nfs/dbraw/zinc/93/82/50/856938250.db2.gz USXMQQYDCXBQRX-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP Cc1nocc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223917009 856951187 /nfs/dbraw/zinc/95/11/87/856951187.db2.gz ZEYZMDYUIXOWGY-WBVHZDCISA-N 2 1 350.463 0.984 20 0 FCADMP Cc1ncoc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916260 856951219 /nfs/dbraw/zinc/95/12/19/856951219.db2.gz DHGGBDGWNFBIOL-CVEARBPZSA-N 2 1 350.463 0.984 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225346974 857036340 /nfs/dbraw/zinc/03/63/40/857036340.db2.gz TWTOACULNXSWOX-OAGGEKHMSA-N 2 1 354.495 0.250 20 0 FCADMP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001226783327 857125875 /nfs/dbraw/zinc/12/58/75/857125875.db2.gz XFVDIQQABAAVAN-ZACQAIPSSA-N 2 1 351.495 0.867 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CCC1 ZINC001226817691 857127663 /nfs/dbraw/zinc/12/76/63/857127663.db2.gz HQMMTEZCYVWEGD-HZPDHXFCSA-N 2 1 359.536 0.922 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211681 857148858 /nfs/dbraw/zinc/14/88/58/857148858.db2.gz JCSGUBFVQJZZCG-NWANDNLSSA-N 2 1 354.451 0.374 20 0 FCADMP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227614282 857166907 /nfs/dbraw/zinc/16/69/07/857166907.db2.gz XCXYJSVMRHOULN-CBYDULDESA-N 2 1 351.491 0.903 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001228603981 857218970 /nfs/dbraw/zinc/21/89/70/857218970.db2.gz VPLHSJSUFNNBNL-ARFHVFGLSA-N 2 1 359.536 0.780 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001229388683 857267628 /nfs/dbraw/zinc/26/76/28/857267628.db2.gz FWCWHPYNNARGEI-HZPDHXFCSA-N 2 1 351.451 0.697 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229495649 857272689 /nfs/dbraw/zinc/27/26/89/857272689.db2.gz IGGWKHIVZVJUOL-HUUCEWRRSA-N 2 1 352.479 0.494 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229860356 857290216 /nfs/dbraw/zinc/29/02/16/857290216.db2.gz SHYKWYUQVJGFJG-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001230141866 857306798 /nfs/dbraw/zinc/30/67/98/857306798.db2.gz WAPYDQFBUXCKQL-USXIJHARSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2nncs2)C1 ZINC001230138267 857306984 /nfs/dbraw/zinc/30/69/84/857306984.db2.gz MGSHBILYIMFUPU-JHJVBQTASA-N 2 1 366.491 0.445 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001230147628 857308452 /nfs/dbraw/zinc/30/84/52/857308452.db2.gz KHLKUSWHFIILFB-HUUCEWRRSA-N 2 1 371.507 0.100 20 0 FCADMP Clc1nc(N2CCOCC2)sc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234987048 857417014 /nfs/dbraw/zinc/41/70/14/857417014.db2.gz MDCFCIOJKDFYLV-OAHLLOKOSA-N 2 1 357.911 0.770 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)O1 ZINC001235581862 857429202 /nfs/dbraw/zinc/42/92/02/857429202.db2.gz GPKJAPTWKDCOJZ-NCOADZHNSA-N 2 1 351.491 0.822 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)O1 ZINC001235581862 857429208 /nfs/dbraw/zinc/42/92/08/857429208.db2.gz GPKJAPTWKDCOJZ-NCOADZHNSA-N 2 1 351.491 0.822 20 0 FCADMP [NH3+]CCCC[N@H+]1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC001235628066 857430364 /nfs/dbraw/zinc/43/03/64/857430364.db2.gz DMUHCVPVQRQPJY-GOSISDBHSA-N 2 1 351.422 0.999 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC[C@@H]1C[NH2+]CCO1)CC1CC[NH2+]CC1 ZINC001236387088 857440823 /nfs/dbraw/zinc/44/08/23/857440823.db2.gz UJBLSPNCSFODSG-LJQANCHMSA-N 3 1 354.539 0.389 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502431 862919980 /nfs/dbraw/zinc/91/99/80/862919980.db2.gz QRKBWVCOGHQYHO-MJGOQNOKSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502431 862919990 /nfs/dbraw/zinc/91/99/90/862919990.db2.gz QRKBWVCOGHQYHO-MJGOQNOKSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502431 862919995 /nfs/dbraw/zinc/91/99/95/862919995.db2.gz QRKBWVCOGHQYHO-MJGOQNOKSA-N 2 1 352.523 0.583 20 0 FCADMP [NH3+]CCOCCOCCOCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246216707 857571156 /nfs/dbraw/zinc/57/11/56/857571156.db2.gz NTDNELWQSYEXSJ-BCDXTJNWSA-N 2 1 359.511 0.274 20 0 FCADMP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246254576 857571201 /nfs/dbraw/zinc/57/12/01/857571201.db2.gz HOZPYRCZKDZMDA-IOASZLSFSA-N 2 1 351.447 0.584 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3C[NH2+]C[C@@H]3CO)CC2)cc1 ZINC001246301972 857572833 /nfs/dbraw/zinc/57/28/33/857572833.db2.gz ZFNRHZYDTLRUIR-RHSMWYFYSA-N 2 1 353.488 0.318 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545297 857584542 /nfs/dbraw/zinc/58/45/42/857584542.db2.gz AVVRHCVETKNILV-ZFWWWQNUSA-N 2 1 352.472 0.896 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCN[C@@H](C(F)(F)F)C1)C2 ZINC001246674369 857589821 /nfs/dbraw/zinc/58/98/21/857589821.db2.gz RXNGWBOCGRUEIC-YKWBPFFISA-N 2 1 361.408 1.000 20 0 FCADMP COCCN1CCOC[C@]2(CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699265 857592407 /nfs/dbraw/zinc/59/24/07/857592407.db2.gz ZLQOJQFDTQPBBU-ZWKOTPCHSA-N 2 1 352.523 0.141 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709340 857592511 /nfs/dbraw/zinc/59/25/11/857592511.db2.gz NMDLQJLYBRMYDS-DEORAPPZSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709340 857592520 /nfs/dbraw/zinc/59/25/20/857592520.db2.gz NMDLQJLYBRMYDS-DEORAPPZSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@H]1C[C@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751423 857598545 /nfs/dbraw/zinc/59/85/45/857598545.db2.gz PIGFBOIPNIBTBK-DLBZAZTESA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757890 857598736 /nfs/dbraw/zinc/59/87/36/857598736.db2.gz WOYYPYJCJKWDPJ-ZKXLYKBJSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757890 857598744 /nfs/dbraw/zinc/59/87/44/857598744.db2.gz WOYYPYJCJKWDPJ-ZKXLYKBJSA-N 2 1 351.491 0.713 20 0 FCADMP Brc1cnc(O[C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807500 857601092 /nfs/dbraw/zinc/60/10/92/857601092.db2.gz KKXOHXJKAPXLQW-CHWSQXEVSA-N 2 1 368.279 0.786 20 0 FCADMP Brc1cnc(O[C@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807501 857601760 /nfs/dbraw/zinc/60/17/60/857601760.db2.gz KKXOHXJKAPXLQW-OLZOCXBDSA-N 2 1 368.279 0.786 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CCN1 ZINC001246855581 857602886 /nfs/dbraw/zinc/60/28/86/857602886.db2.gz OMDPXIURODWZHM-ZXFNITATSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)N1CC[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)C1 ZINC001246860085 857604665 /nfs/dbraw/zinc/60/46/65/857604665.db2.gz SJAJXUKOVWCTGC-NSIVTLKISA-N 2 1 351.447 0.548 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCC([NH+]3CCC([NH3+])CC3)CC2)C[NH2+]1 ZINC001246963191 857607911 /nfs/dbraw/zinc/60/79/11/857607911.db2.gz GVACNYBFOMWWIM-IRXDYDNUSA-N 3 1 352.523 0.946 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN[C@H](C(=O)OCC)C2)CCC12C[NH2+]C2 ZINC001247004953 857608815 /nfs/dbraw/zinc/60/88/15/857608815.db2.gz DWAQCMXNBRETQN-ZNMIVQPWSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CN[C@@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007266 857609122 /nfs/dbraw/zinc/60/91/22/857609122.db2.gz KBJZTCVMWSVUGH-SUNYJGFJSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@@H](C(=O)OCC)NC2)CCC12C[NH2+]C2 ZINC001247010945 857609466 /nfs/dbraw/zinc/60/94/66/857609466.db2.gz WWZHPJCDFUXBER-ZNMIVQPWSA-N 2 1 353.463 0.145 20 0 FCADMP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252510811 857818794 /nfs/dbraw/zinc/81/87/94/857818794.db2.gz QFPAKPMKPDLJBO-XDNAFOTISA-N 2 1 351.495 0.850 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252510811 857818806 /nfs/dbraw/zinc/81/88/06/857818806.db2.gz QFPAKPMKPDLJBO-XDNAFOTISA-N 2 1 351.495 0.850 20 0 FCADMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252510811 857818819 /nfs/dbraw/zinc/81/88/19/857818819.db2.gz QFPAKPMKPDLJBO-XDNAFOTISA-N 2 1 351.495 0.850 20 0 FCADMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252510811 857818833 /nfs/dbraw/zinc/81/88/33/857818833.db2.gz QFPAKPMKPDLJBO-XDNAFOTISA-N 2 1 351.495 0.850 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001252818608 857843616 /nfs/dbraw/zinc/84/36/16/857843616.db2.gz WGANJSBPXHWACR-HNNXBMFYSA-N 2 1 353.467 0.104 20 0 FCADMP COC[C@@H](O)C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001252818608 857843620 /nfs/dbraw/zinc/84/36/20/857843620.db2.gz WGANJSBPXHWACR-HNNXBMFYSA-N 2 1 353.467 0.104 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001253367975 857883001 /nfs/dbraw/zinc/88/30/01/857883001.db2.gz CMJRPVPOTNCHTD-AWEZNQCLSA-N 2 1 350.467 0.231 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C[C@H](O)C[NH2+]C(C)(C)C)CC[C@@H]21 ZINC001253391334 857884708 /nfs/dbraw/zinc/88/47/08/857884708.db2.gz ZTHPMQBPHHKPCL-TWMKSMIVSA-N 2 1 350.511 0.422 20 0 FCADMP CCOC(=O)CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001254413069 857971333 /nfs/dbraw/zinc/97/13/33/857971333.db2.gz KUTHGNTYRUDMOS-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CCOC(=O)CN1CCC([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001254413069 857971340 /nfs/dbraw/zinc/97/13/40/857971340.db2.gz KUTHGNTYRUDMOS-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254518703 857975526 /nfs/dbraw/zinc/97/55/26/857975526.db2.gz DCLPNMYNWGWMDM-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517167 857975721 /nfs/dbraw/zinc/97/57/21/857975721.db2.gz FFRMSFIMBTYEII-IEBWSBKVSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517167 857975729 /nfs/dbraw/zinc/97/57/29/857975729.db2.gz FFRMSFIMBTYEII-IEBWSBKVSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517167 857975736 /nfs/dbraw/zinc/97/57/36/857975736.db2.gz FFRMSFIMBTYEII-IEBWSBKVSA-N 2 1 352.523 0.631 20 0 FCADMP COc1cccc(OC)c1C[NH+]1CCC(N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001255923954 858040785 /nfs/dbraw/zinc/04/07/85/858040785.db2.gz RGBGUWHADZBPOY-UHFFFAOYSA-N 2 1 371.503 0.889 20 0 FCADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969348 858042848 /nfs/dbraw/zinc/04/28/48/858042848.db2.gz YOHYCJMNHHYZSX-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001257925077 858165631 /nfs/dbraw/zinc/16/56/31/858165631.db2.gz CULGAWNFQAYYDJ-OAHLLOKOSA-N 2 1 363.524 0.099 20 0 FCADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001258015563 858173243 /nfs/dbraw/zinc/17/32/43/858173243.db2.gz WTKUBLINMMOICH-IRXDYDNUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001262205451 858818211 /nfs/dbraw/zinc/81/82/11/858818211.db2.gz SSGXIOUKFCQJKO-FCEWJHQRSA-N 2 1 350.507 0.763 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001262205451 858818221 /nfs/dbraw/zinc/81/82/21/858818221.db2.gz SSGXIOUKFCQJKO-FCEWJHQRSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1F ZINC001262782077 859047464 /nfs/dbraw/zinc/04/74/64/859047464.db2.gz VUNIWDZDOPTCSA-ZDUSSCGKSA-N 2 1 352.410 0.525 20 0 FCADMP COC(=O)N[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(C)C ZINC001263190285 859121960 /nfs/dbraw/zinc/12/19/60/859121960.db2.gz BPOKZZQNMWJYHA-XHSDSOJGSA-N 2 1 352.479 0.794 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001264099754 859312557 /nfs/dbraw/zinc/31/25/57/859312557.db2.gz NLFYFIKBAOJWOI-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001264099754 859312562 /nfs/dbraw/zinc/31/25/62/859312562.db2.gz NLFYFIKBAOJWOI-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001264099754 859312569 /nfs/dbraw/zinc/31/25/69/859312569.db2.gz NLFYFIKBAOJWOI-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001268198114 859525297 /nfs/dbraw/zinc/52/52/97/859525297.db2.gz RGDWYQSOIZWJCS-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@H+](C)CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001268198114 859525304 /nfs/dbraw/zinc/52/53/04/859525304.db2.gz RGDWYQSOIZWJCS-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@@H+](C)CC(=O)N(C)C)CC2)CC[NH+]1C ZINC001268198114 859525312 /nfs/dbraw/zinc/52/53/12/859525312.db2.gz RGDWYQSOIZWJCS-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP CCCC[C@H](CC)C[N@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]21 ZINC001269992766 859624857 /nfs/dbraw/zinc/62/48/57/859624857.db2.gz YBFCPVUZGMKKHZ-JYJNAYRXSA-N 2 1 353.511 0.940 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001270489295 859770230 /nfs/dbraw/zinc/77/02/30/859770230.db2.gz FVZWTOSDWXBJNH-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652524 859986887 /nfs/dbraw/zinc/98/68/87/859986887.db2.gz NLGFXOIYCZSHKH-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001272825019 860273949 /nfs/dbraw/zinc/27/39/49/860273949.db2.gz JJUCBRMWQASVML-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001273318269 860449125 /nfs/dbraw/zinc/44/91/25/860449125.db2.gz ZXPMFPHEWVLNPH-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001273334118 860456562 /nfs/dbraw/zinc/45/65/62/860456562.db2.gz SRYDQWAKCGHLNF-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273383947 860473204 /nfs/dbraw/zinc/47/32/04/860473204.db2.gz DLKXQOIKEFMDKL-HOTGVXAUSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001273452855 860493890 /nfs/dbraw/zinc/49/38/90/860493890.db2.gz DESOWCHVBOUTLX-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)(C1)C2 ZINC001273452916 860494086 /nfs/dbraw/zinc/49/40/86/860494086.db2.gz FJVHKYURFYUAEZ-VNCLNFNDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCN(C)C)C3)CC1 ZINC001273848692 860617331 /nfs/dbraw/zinc/61/73/31/860617331.db2.gz STJIQXWGUXUHJL-UHFFFAOYSA-N 2 1 351.539 0.108 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCN(C)C)C3)CC1 ZINC001273848692 860617335 /nfs/dbraw/zinc/61/73/35/860617335.db2.gz STJIQXWGUXUHJL-UHFFFAOYSA-N 2 1 351.539 0.108 20 0 FCADMP CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274305795 860727732 /nfs/dbraw/zinc/72/77/32/860727732.db2.gz OQBKJVGXYLJICN-MSOLQXFVSA-N 2 1 354.539 0.972 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274400596 860742775 /nfs/dbraw/zinc/74/27/75/860742775.db2.gz UZGGYTOEVJBEKG-PKOBYXMFSA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274400596 860742781 /nfs/dbraw/zinc/74/27/81/860742781.db2.gz UZGGYTOEVJBEKG-PKOBYXMFSA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274399923 860743179 /nfs/dbraw/zinc/74/31/79/860743179.db2.gz KHKMJCOXBUFRSM-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274399923 860743181 /nfs/dbraw/zinc/74/31/81/860743181.db2.gz KHKMJCOXBUFRSM-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274399923 860743186 /nfs/dbraw/zinc/74/31/86/860743186.db2.gz KHKMJCOXBUFRSM-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP COC(CN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O)OC ZINC001275507874 861114840 /nfs/dbraw/zinc/11/48/40/861114840.db2.gz LEWITGTYTLVPSD-GOSISDBHSA-N 2 1 357.495 0.496 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O)OC ZINC001275507874 861114849 /nfs/dbraw/zinc/11/48/49/861114849.db2.gz LEWITGTYTLVPSD-GOSISDBHSA-N 2 1 357.495 0.496 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275738088 861181887 /nfs/dbraw/zinc/18/18/87/861181887.db2.gz ULLGJUKPHJQSBI-KBXCAEBGSA-N 2 1 353.463 0.098 20 0 FCADMP COC(C)(C)CC[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001279825705 863084641 /nfs/dbraw/zinc/08/46/41/863084641.db2.gz XQLSZSTXGALGKU-LSDHHAIUSA-N 2 1 352.479 0.699 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=S)NCC[NH+](C)C)[C@@H]3C2)n(C)n1 ZINC001279975026 863160893 /nfs/dbraw/zinc/16/08/93/863160893.db2.gz BIAWNEIRTDQUGK-GOEBONIOSA-N 2 1 350.536 0.671 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=S)NCC[NH+](C)C)[C@@H]3C2)n(C)n1 ZINC001279975026 863160898 /nfs/dbraw/zinc/16/08/98/863160898.db2.gz BIAWNEIRTDQUGK-GOEBONIOSA-N 2 1 350.536 0.671 20 0 FCADMP C[NH+](C)CCNC(=S)N1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279975332 863161646 /nfs/dbraw/zinc/16/16/46/863161646.db2.gz FVONDOYDJDNFMK-IYBDPMFKSA-N 2 1 350.536 0.990 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=S)NCC[NH+](C)C)C3)n(C)n1 ZINC001279975591 863161997 /nfs/dbraw/zinc/16/19/97/863161997.db2.gz LCBOAOAETBVGCW-ZBFHGGJFSA-N 2 1 350.536 0.671 20 0 FCADMP Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=S)NCC[NH+](C)C)C3)n(C)n1 ZINC001279975591 863162002 /nfs/dbraw/zinc/16/20/02/863162002.db2.gz LCBOAOAETBVGCW-ZBFHGGJFSA-N 2 1 350.536 0.671 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(CN(CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280137171 863286707 /nfs/dbraw/zinc/28/67/07/863286707.db2.gz IIJMLTWOMODEJK-KRWDZBQOSA-N 2 1 350.507 0.430 20 0 FCADMP Cn1cnc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C(=O)NCC(F)F)c1 ZINC001280137136 863287301 /nfs/dbraw/zinc/28/73/01/863287301.db2.gz HMNWVYYFBRUBKX-ZIAGYGMSSA-N 2 1 355.433 0.816 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](C[C@@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195816 863324988 /nfs/dbraw/zinc/32/49/88/863324988.db2.gz VSUXXOZOZYSWJX-SPUZQDLCSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](CCN(C)C)C[C@@H]2O1 ZINC001280221400 863344838 /nfs/dbraw/zinc/34/48/38/863344838.db2.gz OTJKPJLPOAXSHR-KURKYZTESA-N 2 1 354.539 0.828 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](CCN(C)C)C[C@@H]2O1 ZINC001280221400 863344848 /nfs/dbraw/zinc/34/48/48/863344848.db2.gz OTJKPJLPOAXSHR-KURKYZTESA-N 2 1 354.539 0.828 20 0 FCADMP CC(C)NC(=O)N1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280245246 863356435 /nfs/dbraw/zinc/35/64/35/863356435.db2.gz AYWYEIGNIYZYEI-IRXDYDNUSA-N 2 1 353.511 0.127 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)C1 ZINC001280256196 863363109 /nfs/dbraw/zinc/36/31/09/863363109.db2.gz BOAIVKFMTXKQMN-RDJZCZTQSA-N 2 1 351.491 0.429 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257388 863363976 /nfs/dbraw/zinc/36/39/76/863363976.db2.gz OIDIRKGADLVAIF-KHYOSLBOSA-N 2 1 350.482 0.657 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257388 863363989 /nfs/dbraw/zinc/36/39/89/863363989.db2.gz OIDIRKGADLVAIF-KHYOSLBOSA-N 2 1 350.482 0.657 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257388 863363999 /nfs/dbraw/zinc/36/39/99/863363999.db2.gz OIDIRKGADLVAIF-KHYOSLBOSA-N 2 1 350.482 0.657 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)C1 ZINC001280257388 863364014 /nfs/dbraw/zinc/36/40/14/863364014.db2.gz OIDIRKGADLVAIF-KHYOSLBOSA-N 2 1 350.482 0.657 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280262098 863368620 /nfs/dbraw/zinc/36/86/20/863368620.db2.gz XXPKJZYHGVUQFT-CABCVRRESA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280262098 863368626 /nfs/dbraw/zinc/36/86/26/863368626.db2.gz XXPKJZYHGVUQFT-CABCVRRESA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280262098 863368633 /nfs/dbraw/zinc/36/86/33/863368633.db2.gz XXPKJZYHGVUQFT-CABCVRRESA-N 2 1 368.547 0.340 20 0 FCADMP C[C@H](O)CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001281577975 863526947 /nfs/dbraw/zinc/52/69/47/863526947.db2.gz QAIZEUTVGQMWKA-LZLYRXPVSA-N 2 1 352.523 0.316 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001281617238 863542432 /nfs/dbraw/zinc/54/24/32/863542432.db2.gz CXDDNEZMKLWCSO-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001281617238 863542438 /nfs/dbraw/zinc/54/24/38/863542438.db2.gz CXDDNEZMKLWCSO-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001281617238 863542441 /nfs/dbraw/zinc/54/24/41/863542441.db2.gz CXDDNEZMKLWCSO-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3nnc(N)o3)CC2)CC1 ZINC001296500412 865971798 /nfs/dbraw/zinc/97/17/98/865971798.db2.gz IEWKUVFDYKXCJY-UHFFFAOYSA-N 2 1 350.467 0.507 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC001350014614 866490450 /nfs/dbraw/zinc/49/04/50/866490450.db2.gz NFBPYSQSVHVQIJ-KBMXLJTQSA-N 2 1 354.495 0.188 20 0 FCADMP O=S1(=O)CCC(O)(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001308150477 866706778 /nfs/dbraw/zinc/70/67/78/866706778.db2.gz TVHQKDOHBAQSAP-UHFFFAOYSA-N 2 1 360.520 0.239 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001351213717 866814742 /nfs/dbraw/zinc/81/47/42/866814742.db2.gz UFWJWNICCRAJCN-USXIJHARSA-N 2 1 353.511 0.173 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001313401201 867276271 /nfs/dbraw/zinc/27/62/71/867276271.db2.gz QSQYICNGFJARNO-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001313401201 867276285 /nfs/dbraw/zinc/27/62/85/867276285.db2.gz QSQYICNGFJARNO-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001313401201 867276296 /nfs/dbraw/zinc/27/62/96/867276296.db2.gz QSQYICNGFJARNO-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001313401201 867276311 /nfs/dbraw/zinc/27/63/11/867276311.db2.gz QSQYICNGFJARNO-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001313401201 867276321 /nfs/dbraw/zinc/27/63/21/867276321.db2.gz QSQYICNGFJARNO-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458403 867427776 /nfs/dbraw/zinc/42/77/76/867427776.db2.gz REOMPSFHCSWAFJ-CVEARBPZSA-N 2 1 354.495 0.291 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759777 867459845 /nfs/dbraw/zinc/45/98/45/867459845.db2.gz JKUGWDVUFUXGAF-IKGGRYGDSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(CC)C3CC3)C2)CC[N@@H+]1C ZINC001318252802 867629086 /nfs/dbraw/zinc/62/90/86/867629086.db2.gz GTTPNNOZCKYVNT-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(CC)C3CC3)C2)CC[N@H+]1C ZINC001318252802 867629093 /nfs/dbraw/zinc/62/90/93/867629093.db2.gz GTTPNNOZCKYVNT-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(CC)C3CC3)C2)CC[NH+]1C ZINC001318252802 867629105 /nfs/dbraw/zinc/62/91/05/867629105.db2.gz GTTPNNOZCKYVNT-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(CC)C3CC3)C2)CC[NH+]1C ZINC001318252802 867629116 /nfs/dbraw/zinc/62/91/16/867629116.db2.gz GTTPNNOZCKYVNT-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001320000272 868054124 /nfs/dbraw/zinc/05/41/24/868054124.db2.gz UGKPWMGLDQLLEE-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001320000272 868054142 /nfs/dbraw/zinc/05/41/42/868054142.db2.gz UGKPWMGLDQLLEE-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001320000272 868054155 /nfs/dbraw/zinc/05/41/55/868054155.db2.gz UGKPWMGLDQLLEE-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1C ZINC001320231249 868115552 /nfs/dbraw/zinc/11/55/52/868115552.db2.gz LGNBDKJQTCQGSH-VNQPRFMTSA-N 2 1 351.495 0.545 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001321371772 868448761 /nfs/dbraw/zinc/44/87/61/868448761.db2.gz RHRCLPXARBNRGT-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)CCC(F)(F)F ZINC001321851634 868639233 /nfs/dbraw/zinc/63/92/33/868639233.db2.gz TZRJGQXTIGHZCQ-CYBMUJFWSA-N 2 1 366.428 0.787 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)CCC(F)(F)F ZINC001321851634 868639234 /nfs/dbraw/zinc/63/92/34/868639234.db2.gz TZRJGQXTIGHZCQ-CYBMUJFWSA-N 2 1 366.428 0.787 20 0 FCADMP C[C@@H](C(=O)NCc1ccco1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001324168724 869495012 /nfs/dbraw/zinc/49/50/12/869495012.db2.gz IONDPKLMBJRMOG-AWEZNQCLSA-N 2 1 350.463 0.674 20 0 FCADMP C[C@H]([C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)S(C)(=O)=O ZINC001326104494 870168487 /nfs/dbraw/zinc/16/84/87/870168487.db2.gz JYNODOZGFQQLBA-CHWSQXEVSA-N 2 1 354.476 0.841 20 0 FCADMP CC(C)[NH+]1CCC(n2nnnc2N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC001344359333 870841197 /nfs/dbraw/zinc/84/11/97/870841197.db2.gz PCQXHHSBJQHQDD-UHFFFAOYSA-N 2 1 351.499 0.611 20 0 FCADMP C/C(=C\C(=O)NC[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC001345921576 871562325 /nfs/dbraw/zinc/56/23/25/871562325.db2.gz PVFPEWCPYVSLRP-UTZIXYHNSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001345921576 871562332 /nfs/dbraw/zinc/56/23/32/871562332.db2.gz PVFPEWCPYVSLRP-UTZIXYHNSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001345921576 871562348 /nfs/dbraw/zinc/56/23/48/871562348.db2.gz PVFPEWCPYVSLRP-UTZIXYHNSA-N 2 1 350.507 0.849 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001328750596 871606601 /nfs/dbraw/zinc/60/66/01/871606601.db2.gz VNHMAMHLVJGJDI-ZFWWWQNUSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@@H](C)C1 ZINC001346550429 871895644 /nfs/dbraw/zinc/89/56/44/871895644.db2.gz YDELCSFFIPPECJ-HRCADAONSA-N 2 1 354.495 0.242 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@H](C)C1 ZINC001346550532 871896199 /nfs/dbraw/zinc/89/61/99/871896199.db2.gz YDELCSFFIPPECJ-PMPSAXMXSA-N 2 1 354.495 0.242 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CCC3(C2)OCCO3)CC[N@H+](C2CC2)C1 ZINC001346553836 871899573 /nfs/dbraw/zinc/89/95/73/871899573.db2.gz LWHJAMOHEUCBTL-OAHLLOKOSA-N 2 1 352.479 0.561 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCCN3CCC4(C3)OCCO4)C2)C1 ZINC001346553848 871900931 /nfs/dbraw/zinc/90/09/31/871900931.db2.gz MKDOBBPBYWTYQB-KRWDZBQOSA-N 2 1 352.479 0.563 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164105 872500325 /nfs/dbraw/zinc/50/03/25/872500325.db2.gz YEDGREFGKWFPJP-CQSZACIVSA-N 2 1 354.470 0.622 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164105 872500336 /nfs/dbraw/zinc/50/03/36/872500336.db2.gz YEDGREFGKWFPJP-CQSZACIVSA-N 2 1 354.470 0.622 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885329 872519541 /nfs/dbraw/zinc/51/95/41/872519541.db2.gz TVKFXHTWLYIWRM-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885329 872519561 /nfs/dbraw/zinc/51/95/61/872519561.db2.gz TVKFXHTWLYIWRM-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001347885329 872519577 /nfs/dbraw/zinc/51/95/77/872519577.db2.gz TVKFXHTWLYIWRM-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001347885329 872519590 /nfs/dbraw/zinc/51/95/90/872519590.db2.gz TVKFXHTWLYIWRM-HOTGVXAUSA-N 2 1 354.495 0.855 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001330534899 872690961 /nfs/dbraw/zinc/69/09/61/872690961.db2.gz VJTONFACLNHPAN-INIZCTEOSA-N 2 1 353.511 0.842 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001330593639 872722948 /nfs/dbraw/zinc/72/29/48/872722948.db2.gz VSXCREJZJRGZHI-JQWIXIFHSA-N 2 1 354.405 0.964 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC001331129014 872973016 /nfs/dbraw/zinc/97/30/16/872973016.db2.gz ZVTFSSPTFMOQMF-WCVJEAGWSA-N 2 1 354.495 0.093 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332692644 873618446 /nfs/dbraw/zinc/61/84/46/873618446.db2.gz IFUIKQHMSIJAKY-BXWFABGCSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332692645 873618511 /nfs/dbraw/zinc/61/85/11/873618511.db2.gz IFUIKQHMSIJAKY-GJYPPUQNSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001333262686 873882328 /nfs/dbraw/zinc/88/23/28/873882328.db2.gz RIESZAHYVCVVEX-FGTMMUONSA-N 2 1 350.507 0.430 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001336647821 874023481 /nfs/dbraw/zinc/02/34/81/874023481.db2.gz JXFLIPPHKUYGPR-UHFFFAOYSA-N 2 1 350.507 0.827 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826038390 947417118 /nfs/dbraw/zinc/41/71/18/947417118.db2.gz MLRAXSKGBLTKFU-QGZVFWFLSA-N 2 1 359.478 0.469 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711266 949534012 /nfs/dbraw/zinc/53/40/12/949534012.db2.gz FOSQCFGYUNGDFZ-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711266 949534036 /nfs/dbraw/zinc/53/40/36/949534036.db2.gz FOSQCFGYUNGDFZ-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574956752 949588996 /nfs/dbraw/zinc/58/89/96/949588996.db2.gz MXWIAOLZSQGZKB-GZBFAFLISA-N 2 1 357.462 0.801 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957342 949606776 /nfs/dbraw/zinc/60/67/76/949606776.db2.gz VOFSTPKBJHUOIU-NQBHXWOUSA-N 2 1 363.491 0.863 20 0 FCADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724064 949868042 /nfs/dbraw/zinc/86/80/42/949868042.db2.gz FCAOQWYRUPAPCR-CYBMUJFWSA-N 2 1 374.493 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196695 950365958 /nfs/dbraw/zinc/36/59/58/950365958.db2.gz GAHHAXZAFUPHEJ-CYBMUJFWSA-N 2 1 358.450 0.286 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576204273 950459380 /nfs/dbraw/zinc/45/93/80/950459380.db2.gz MSJWGQCJSJHIDU-RDBSUJKOSA-N 2 1 368.445 0.393 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576204273 950459392 /nfs/dbraw/zinc/45/93/92/950459392.db2.gz MSJWGQCJSJHIDU-RDBSUJKOSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570981062 950566355 /nfs/dbraw/zinc/56/63/55/950566355.db2.gz BAKIAENZNXAIOH-OAHLLOKOSA-N 2 1 356.434 0.181 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106843 951906830 /nfs/dbraw/zinc/90/68/30/951906830.db2.gz VJAVIAIEMTXCNI-XJKSGUPXSA-N 2 1 357.462 0.660 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106837 951907146 /nfs/dbraw/zinc/90/71/46/951907146.db2.gz VJAVIAIEMTXCNI-BBRMVZONSA-N 2 1 357.462 0.660 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063301 951965082 /nfs/dbraw/zinc/96/50/82/951965082.db2.gz KGAOHPHUGRYFKH-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063301 951965085 /nfs/dbraw/zinc/96/50/85/951965085.db2.gz KGAOHPHUGRYFKH-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063301 951965092 /nfs/dbraw/zinc/96/50/92/951965092.db2.gz KGAOHPHUGRYFKH-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063300 951965441 /nfs/dbraw/zinc/96/54/41/951965441.db2.gz KGAOHPHUGRYFKH-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063300 951965447 /nfs/dbraw/zinc/96/54/47/951965447.db2.gz KGAOHPHUGRYFKH-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063300 951965449 /nfs/dbraw/zinc/96/54/49/951965449.db2.gz KGAOHPHUGRYFKH-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571105132 952389738 /nfs/dbraw/zinc/38/97/38/952389738.db2.gz IKRNJQWXCCTITR-WFASDCNBSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105211 952391045 /nfs/dbraw/zinc/39/10/45/952391045.db2.gz KBUMCJQGMCVAOI-DZGCQCFKSA-N 2 1 373.436 0.648 20 0 FCADMP O=C(CC[C@H]1CCC[NH2+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000292028603 214072239 /nfs/dbraw/zinc/07/22/39/214072239.db2.gz GLGLMRPIUPFSQS-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cn2ccnc12 ZINC000294397867 214242514 /nfs/dbraw/zinc/24/25/14/214242514.db2.gz SHLKCSHMMOIQCU-CQSZACIVSA-N 2 1 373.457 0.885 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cn2ccnc12 ZINC000294397867 214242517 /nfs/dbraw/zinc/24/25/17/214242517.db2.gz SHLKCSHMMOIQCU-CQSZACIVSA-N 2 1 373.457 0.885 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000410614942 529404385 /nfs/dbraw/zinc/40/43/85/529404385.db2.gz MYYNPHCGTVQTFU-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000410614942 529404386 /nfs/dbraw/zinc/40/43/86/529404386.db2.gz MYYNPHCGTVQTFU-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000410614942 529404387 /nfs/dbraw/zinc/40/43/87/529404387.db2.gz MYYNPHCGTVQTFU-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000410614942 529404388 /nfs/dbraw/zinc/40/43/88/529404388.db2.gz MYYNPHCGTVQTFU-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000291474036 214036817 /nfs/dbraw/zinc/03/68/17/214036817.db2.gz POMGRRJLHJZAPW-FGTMMUONSA-N 2 1 366.531 0.883 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961735 529797384 /nfs/dbraw/zinc/79/73/84/529797384.db2.gz IUSAIBMWFLCGDA-MVJTYMMSSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961735 529797385 /nfs/dbraw/zinc/79/73/85/529797385.db2.gz IUSAIBMWFLCGDA-MVJTYMMSSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961735 529797386 /nfs/dbraw/zinc/79/73/86/529797386.db2.gz IUSAIBMWFLCGDA-MVJTYMMSSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000265693334 210198899 /nfs/dbraw/zinc/19/88/99/210198899.db2.gz FZQMJMXKDHNNAM-KBPBESRZSA-N 2 1 351.451 0.521 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000265693334 210198901 /nfs/dbraw/zinc/19/89/01/210198901.db2.gz FZQMJMXKDHNNAM-KBPBESRZSA-N 2 1 351.451 0.521 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410843289 529861560 /nfs/dbraw/zinc/86/15/60/529861560.db2.gz MOJCDMNRDOPGQW-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410843289 529861562 /nfs/dbraw/zinc/86/15/62/529861562.db2.gz MOJCDMNRDOPGQW-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410843289 529861563 /nfs/dbraw/zinc/86/15/63/529861563.db2.gz MOJCDMNRDOPGQW-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)(N2CCOCC2)CC1 ZINC000412461302 530049355 /nfs/dbraw/zinc/04/93/55/530049355.db2.gz IKBJQGDSSRVOHW-QGZVFWFLSA-N 2 1 350.507 0.526 20 0 FCADMP COC[C@@H](C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265418007 210130805 /nfs/dbraw/zinc/13/08/05/210130805.db2.gz OYCNNQJBSPCOAQ-OAHLLOKOSA-N 2 1 356.492 0.548 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000331536829 215011750 /nfs/dbraw/zinc/01/17/50/215011750.db2.gz DRBYDSYCHOJNHG-MAUKXSAKSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564672 215016167 /nfs/dbraw/zinc/01/61/67/215016167.db2.gz KVSRSRYLTYFSCP-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564672 215016169 /nfs/dbraw/zinc/01/61/69/215016169.db2.gz KVSRSRYLTYFSCP-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000331590619 215020301 /nfs/dbraw/zinc/02/03/01/215020301.db2.gz YGWYELDJCOSBNB-VVLHAWIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331590619 215020304 /nfs/dbraw/zinc/02/03/04/215020304.db2.gz YGWYELDJCOSBNB-VVLHAWIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331590619 215020306 /nfs/dbraw/zinc/02/03/06/215020306.db2.gz YGWYELDJCOSBNB-VVLHAWIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000331600572 215021201 /nfs/dbraw/zinc/02/12/01/215021201.db2.gz OTJMSBORMHDGKF-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331625465 215025536 /nfs/dbraw/zinc/02/55/36/215025536.db2.gz KOUHTLVOVXQOPV-KEYYUXOJSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691997 215034886 /nfs/dbraw/zinc/03/48/86/215034886.db2.gz VDWBQRSAUHCODY-VKJFTORMSA-N 2 1 368.547 0.483 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331860144 215058009 /nfs/dbraw/zinc/05/80/09/215058009.db2.gz BFQOXSXYKXLTLX-JONQDZQNSA-N 2 1 350.507 0.809 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000331895313 215063675 /nfs/dbraw/zinc/06/36/75/215063675.db2.gz OYNQHRWMAYOQNC-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332017146 215080680 /nfs/dbraw/zinc/08/06/80/215080680.db2.gz HUPUFJKMOPKCHT-HOTGVXAUSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332017146 215080682 /nfs/dbraw/zinc/08/06/82/215080682.db2.gz HUPUFJKMOPKCHT-HOTGVXAUSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000332017051 215080298 /nfs/dbraw/zinc/08/02/98/215080298.db2.gz LDEDEFOTWLUJRU-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000332017051 215080301 /nfs/dbraw/zinc/08/03/01/215080301.db2.gz LDEDEFOTWLUJRU-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332017051 215080305 /nfs/dbraw/zinc/08/03/05/215080305.db2.gz LDEDEFOTWLUJRU-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332017051 215080308 /nfs/dbraw/zinc/08/03/08/215080308.db2.gz LDEDEFOTWLUJRU-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332273729 215121089 /nfs/dbraw/zinc/12/10/89/215121089.db2.gz GNJZWZXWLNYFFP-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332273729 215121093 /nfs/dbraw/zinc/12/10/93/215121093.db2.gz GNJZWZXWLNYFFP-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332260032 215118059 /nfs/dbraw/zinc/11/80/59/215118059.db2.gz DULYOUICSWUVHS-MRXNPFEDSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332260032 215118062 /nfs/dbraw/zinc/11/80/62/215118062.db2.gz DULYOUICSWUVHS-MRXNPFEDSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332260032 215118065 /nfs/dbraw/zinc/11/80/65/215118065.db2.gz DULYOUICSWUVHS-MRXNPFEDSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332260032 215118068 /nfs/dbraw/zinc/11/80/68/215118068.db2.gz DULYOUICSWUVHS-MRXNPFEDSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332292365 215123818 /nfs/dbraw/zinc/12/38/18/215123818.db2.gz CTDZCJOOOLWGDD-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332353237 215135514 /nfs/dbraw/zinc/13/55/14/215135514.db2.gz BLPYLPVOIJEXPY-VYDXJSESSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[C@H]1C ZINC000332353237 215135517 /nfs/dbraw/zinc/13/55/17/215135517.db2.gz BLPYLPVOIJEXPY-VYDXJSESSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000332450656 215153923 /nfs/dbraw/zinc/15/39/23/215153923.db2.gz FIEKBNMDCKGGBU-OFLPRAFFSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332455380 215154716 /nfs/dbraw/zinc/15/47/16/215154716.db2.gz UPPZEORABYUCHR-QZWWFDLISA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H]1C ZINC000332455380 215154720 /nfs/dbraw/zinc/15/47/20/215154720.db2.gz UPPZEORABYUCHR-QZWWFDLISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000332513711 215165081 /nfs/dbraw/zinc/16/50/81/215165081.db2.gz LFMUFCCAUZKCOF-IAGOWNOFSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332528622 215169450 /nfs/dbraw/zinc/16/94/50/215169450.db2.gz GERIDTXIRSKTKA-GDBMZVCRSA-N 2 1 352.479 0.038 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000332563111 215180033 /nfs/dbraw/zinc/18/00/33/215180033.db2.gz VZZHMVLVNYYZGV-CVEARBPZSA-N 2 1 359.474 0.624 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332624571 215192353 /nfs/dbraw/zinc/19/23/53/215192353.db2.gz RUYSBHZREWRLFJ-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000332707485 215206112 /nfs/dbraw/zinc/20/61/12/215206112.db2.gz ZGXRKNMJNGETRW-HZPDHXFCSA-N 2 1 366.506 0.251 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000332707485 215206114 /nfs/dbraw/zinc/20/61/14/215206114.db2.gz ZGXRKNMJNGETRW-HZPDHXFCSA-N 2 1 366.506 0.251 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000332707483 215206374 /nfs/dbraw/zinc/20/63/74/215206374.db2.gz ZGXRKNMJNGETRW-CVEARBPZSA-N 2 1 366.506 0.251 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000332707483 215206376 /nfs/dbraw/zinc/20/63/76/215206376.db2.gz ZGXRKNMJNGETRW-CVEARBPZSA-N 2 1 366.506 0.251 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1(C)C ZINC000333025018 215225337 /nfs/dbraw/zinc/22/53/37/215225337.db2.gz AYIRYGQVAQHNHT-UHFFFAOYSA-N 2 1 355.527 0.111 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333128700 215239171 /nfs/dbraw/zinc/23/91/71/215239171.db2.gz BJWNYUUGYJRHIY-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333128700 215239176 /nfs/dbraw/zinc/23/91/76/215239176.db2.gz BJWNYUUGYJRHIY-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333291364 215259590 /nfs/dbraw/zinc/25/95/90/215259590.db2.gz OSUPNTVAPDLTSC-QFBILLFUSA-N 2 1 364.490 0.054 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCC1 ZINC000333300278 215261085 /nfs/dbraw/zinc/26/10/85/215261085.db2.gz BTPWQJBPTZTVBW-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000333383480 215273389 /nfs/dbraw/zinc/27/33/89/215273389.db2.gz NUWYJFGCQQXXQV-HZPDHXFCSA-N 2 1 356.536 0.963 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333405211 215277136 /nfs/dbraw/zinc/27/71/36/215277136.db2.gz ZERUPMHZVMSAIZ-CVEARBPZSA-N 2 1 359.478 0.977 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333431760 215280933 /nfs/dbraw/zinc/28/09/33/215280933.db2.gz USKITLNCPOXEJB-MRXNPFEDSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000333450632 215283587 /nfs/dbraw/zinc/28/35/87/215283587.db2.gz XMIIHGAOBPNGDO-IKGGRYGDSA-N 2 1 360.506 0.984 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000333659230 215305761 /nfs/dbraw/zinc/30/57/61/215305761.db2.gz LHUZSLPCQZHNGR-OKZBNKHCSA-N 2 1 367.538 0.693 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000333692035 215309039 /nfs/dbraw/zinc/30/90/39/215309039.db2.gz PUEMFVUORQRJPS-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000333790304 215318544 /nfs/dbraw/zinc/31/85/44/215318544.db2.gz GBLPYGXEGOXFSX-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCCC1 ZINC000333849778 215324586 /nfs/dbraw/zinc/32/45/86/215324586.db2.gz WYYUTIQUUMGAAX-SJORKVTESA-N 2 1 365.522 0.714 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H]1C ZINC000333860556 215326340 /nfs/dbraw/zinc/32/63/40/215326340.db2.gz RZEOFCVSEPVVEP-KMCQBPLKSA-N 2 1 365.522 0.757 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333877992 215327703 /nfs/dbraw/zinc/32/77/03/215327703.db2.gz QXAMQERZLJDBNV-MRXNPFEDSA-N 2 1 352.479 0.357 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000333877992 215327707 /nfs/dbraw/zinc/32/77/07/215327707.db2.gz QXAMQERZLJDBNV-MRXNPFEDSA-N 2 1 352.479 0.357 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333935192 215331953 /nfs/dbraw/zinc/33/19/53/215331953.db2.gz JGMGRWCLZUJSMH-MRXNPFEDSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545927 213356840 /nfs/dbraw/zinc/35/68/40/213356840.db2.gz IFEONXSMHZRTJB-PBHICJAKSA-N 2 1 371.485 0.897 20 0 FCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C2CC2)o1 ZINC000285226470 213307114 /nfs/dbraw/zinc/30/71/14/213307114.db2.gz XEBXSCCENDOODQ-UHFFFAOYSA-N 2 1 350.463 0.689 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000285042171 213272346 /nfs/dbraw/zinc/27/23/46/213272346.db2.gz NTJLXQPADKHBPN-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000285042171 213272350 /nfs/dbraw/zinc/27/23/50/213272350.db2.gz NTJLXQPADKHBPN-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000285042171 213272353 /nfs/dbraw/zinc/27/23/53/213272353.db2.gz NTJLXQPADKHBPN-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284887454 213240757 /nfs/dbraw/zinc/24/07/57/213240757.db2.gz LPMYGXBKSYTSDU-GOSISDBHSA-N 2 1 373.501 0.763 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000284745938 213212021 /nfs/dbraw/zinc/21/20/21/213212021.db2.gz HVMPVUOVFSACCI-UHFFFAOYSA-N 2 1 374.485 0.345 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284491343 213152006 /nfs/dbraw/zinc/15/20/06/213152006.db2.gz IAQCXJJTNYENCZ-HNNXBMFYSA-N 2 1 370.519 0.552 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284491343 213152009 /nfs/dbraw/zinc/15/20/09/213152009.db2.gz IAQCXJJTNYENCZ-HNNXBMFYSA-N 2 1 370.519 0.552 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000284415421 213133727 /nfs/dbraw/zinc/13/37/27/213133727.db2.gz JUQMCSXPOROSLA-UHFFFAOYSA-N 2 1 362.474 0.454 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000284050274 213063845 /nfs/dbraw/zinc/06/38/45/213063845.db2.gz KFFSROSDLYCUJN-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000284014114 213055055 /nfs/dbraw/zinc/05/50/55/213055055.db2.gz IKRGRVCIDUUIPC-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP C[C@H](Cn1ccnc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988970 213050146 /nfs/dbraw/zinc/05/01/46/213050146.db2.gz PQHVVJMFKHYUFC-WBVHZDCISA-N 2 1 355.442 0.779 20 0 FCADMP C[C@H](Cn1ccnc1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000283988970 213050149 /nfs/dbraw/zinc/05/01/49/213050149.db2.gz PQHVVJMFKHYUFC-WBVHZDCISA-N 2 1 355.442 0.779 20 0 FCADMP O=C(NCCn1ccnc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000283908679 213032304 /nfs/dbraw/zinc/03/23/04/213032304.db2.gz LEHRCVYXTBFXFZ-KRWDZBQOSA-N 2 1 355.442 0.780 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000411925180 237107785 /nfs/dbraw/zinc/10/77/85/237107785.db2.gz RZBZOUPDUKTQDG-OALUTQOASA-N 2 1 361.486 0.980 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000411925180 237107786 /nfs/dbraw/zinc/10/77/86/237107786.db2.gz RZBZOUPDUKTQDG-OALUTQOASA-N 2 1 361.486 0.980 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000413144269 237285750 /nfs/dbraw/zinc/28/57/50/237285750.db2.gz XPFPVHGOGGGFKI-IRXDYDNUSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000413144269 237285755 /nfs/dbraw/zinc/28/57/55/237285755.db2.gz XPFPVHGOGGGFKI-IRXDYDNUSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000413253312 237303024 /nfs/dbraw/zinc/30/30/24/237303024.db2.gz UPKJXQOPOGVIRN-MRXNPFEDSA-N 2 1 367.538 0.565 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000413377881 237325641 /nfs/dbraw/zinc/32/56/41/237325641.db2.gz PIFLDCYTKGFJAC-KRWDZBQOSA-N 2 1 370.538 0.953 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000413377881 237325644 /nfs/dbraw/zinc/32/56/44/237325644.db2.gz PIFLDCYTKGFJAC-KRWDZBQOSA-N 2 1 370.538 0.953 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871669 216044839 /nfs/dbraw/zinc/04/48/39/216044839.db2.gz VBSSEVKQSXJLFO-HNNXBMFYSA-N 2 1 350.507 0.907 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000366903458 216048011 /nfs/dbraw/zinc/04/80/11/216048011.db2.gz GXUMGMICMSRGAD-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000366903458 216048014 /nfs/dbraw/zinc/04/80/14/216048014.db2.gz GXUMGMICMSRGAD-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000366903458 216048017 /nfs/dbraw/zinc/04/80/17/216048017.db2.gz GXUMGMICMSRGAD-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367186842 216088977 /nfs/dbraw/zinc/08/89/77/216088977.db2.gz PZDFPLHMJMFMEB-MSOLQXFVSA-N 2 1 369.554 0.622 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174225 216086129 /nfs/dbraw/zinc/08/61/29/216086129.db2.gz PJPUNHBNQPYIFM-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)NCC(C)(C)N4CCOCC4)[C@H]1[C@H]3C2 ZINC000367598909 216141444 /nfs/dbraw/zinc/14/14/44/216141444.db2.gz AQUTYDVZWAPCDG-FTAMUGHTSA-N 2 1 351.491 0.569 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000368188351 216213386 /nfs/dbraw/zinc/21/33/86/216213386.db2.gz CFELCPYYIRKBMR-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368188351 216213390 /nfs/dbraw/zinc/21/33/90/216213390.db2.gz CFELCPYYIRKBMR-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368188351 216213393 /nfs/dbraw/zinc/21/33/93/216213393.db2.gz CFELCPYYIRKBMR-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CC[NH+](C)C ZINC000368188351 216213396 /nfs/dbraw/zinc/21/33/96/216213396.db2.gz CFELCPYYIRKBMR-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CN(CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)CC[NH+](C)C ZINC000368188351 216213399 /nfs/dbraw/zinc/21/33/99/216213399.db2.gz CFELCPYYIRKBMR-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000246619865 209392951 /nfs/dbraw/zinc/39/29/51/209392951.db2.gz FBLKFSBBCGZASQ-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000246619865 209392954 /nfs/dbraw/zinc/39/29/54/209392954.db2.gz FBLKFSBBCGZASQ-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000246619865 209392959 /nfs/dbraw/zinc/39/29/59/209392959.db2.gz FBLKFSBBCGZASQ-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C2CC[NH2+]CC2)c1 ZINC000238021035 209362752 /nfs/dbraw/zinc/36/27/52/209362752.db2.gz GCKZEXDQVMTFBC-UHFFFAOYSA-N 2 1 374.485 0.963 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237866565 209359875 /nfs/dbraw/zinc/35/98/75/209359875.db2.gz KMCRSWCKFZVSMQ-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237543293 209354370 /nfs/dbraw/zinc/35/43/70/209354370.db2.gz VZQJWYFBTIOVQT-FQEVSTJZSA-N 2 1 358.486 0.837 20 0 FCADMP C[NH2+]C[C@@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000237220281 209349033 /nfs/dbraw/zinc/34/90/33/209349033.db2.gz MIAMOQYLNGTBPX-OAHLLOKOSA-N 2 1 362.474 0.819 20 0 FCADMP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193917674 209320937 /nfs/dbraw/zinc/32/09/37/209320937.db2.gz MFUREPQJUGPWFJ-OAHLLOKOSA-N 2 1 373.501 0.713 20 0 FCADMP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193917674 209320939 /nfs/dbraw/zinc/32/09/39/209320939.db2.gz MFUREPQJUGPWFJ-OAHLLOKOSA-N 2 1 373.501 0.713 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368576531 216266382 /nfs/dbraw/zinc/26/63/82/216266382.db2.gz JOWQMZMHMLKCRF-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000368576531 216266386 /nfs/dbraw/zinc/26/63/86/216266386.db2.gz JOWQMZMHMLKCRF-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000368576531 216266389 /nfs/dbraw/zinc/26/63/89/216266389.db2.gz JOWQMZMHMLKCRF-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000191907411 209291774 /nfs/dbraw/zinc/29/17/74/209291774.db2.gz AURNTLTYSQGPJK-QWHCGFSZSA-N 2 1 353.385 0.477 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000369071914 216343628 /nfs/dbraw/zinc/34/36/28/216343628.db2.gz ASWFEBVBEHMVRL-OAHLLOKOSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000369071914 216343630 /nfs/dbraw/zinc/34/36/30/216343630.db2.gz ASWFEBVBEHMVRL-OAHLLOKOSA-N 2 1 351.495 0.513 20 0 FCADMP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369377843 216391771 /nfs/dbraw/zinc/39/17/71/216391771.db2.gz CPSVUEWSFQLHQM-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369377843 216391774 /nfs/dbraw/zinc/39/17/74/216391774.db2.gz CPSVUEWSFQLHQM-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369395060 216394667 /nfs/dbraw/zinc/39/46/67/216394667.db2.gz YFJXZCGLFYUOCW-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369395060 216394668 /nfs/dbraw/zinc/39/46/68/216394668.db2.gz YFJXZCGLFYUOCW-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402971 216398933 /nfs/dbraw/zinc/39/89/33/216398933.db2.gz SXRYYGCTCNBOHD-ZWKOTPCHSA-N 2 1 366.554 0.044 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000189744647 209258857 /nfs/dbraw/zinc/25/88/57/209258857.db2.gz CJMKBMNYEUCRCV-KRWDZBQOSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)N1CCOCC1 ZINC000188549853 209232241 /nfs/dbraw/zinc/23/22/41/209232241.db2.gz QXSUGCIPVYJBLP-HRCADAONSA-N 2 1 356.511 0.582 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187192274 209207156 /nfs/dbraw/zinc/20/71/56/209207156.db2.gz PHQDTGHRFOKRDM-DLBZAZTESA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187192274 209207158 /nfs/dbraw/zinc/20/71/58/209207158.db2.gz PHQDTGHRFOKRDM-DLBZAZTESA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187192274 209207163 /nfs/dbraw/zinc/20/71/63/209207163.db2.gz PHQDTGHRFOKRDM-DLBZAZTESA-N 2 1 370.538 0.830 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2c(c1)nnn2C ZINC000185734251 209181053 /nfs/dbraw/zinc/18/10/53/209181053.db2.gz FUFRZXLEEPICSZ-OAHLLOKOSA-N 2 1 359.478 0.851 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000185689322 209180567 /nfs/dbraw/zinc/18/05/67/209180567.db2.gz WDDLAWOZKICYKG-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000185689322 209180570 /nfs/dbraw/zinc/18/05/70/209180570.db2.gz WDDLAWOZKICYKG-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)n1C ZINC000275997167 212136065 /nfs/dbraw/zinc/13/60/65/212136065.db2.gz VWCZEMLWBKEFQR-UHFFFAOYSA-N 2 1 372.473 0.845 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)n1C ZINC000275848095 212102453 /nfs/dbraw/zinc/10/24/53/212102453.db2.gz DJKPXVQHKMMRQV-UHFFFAOYSA-N 2 1 358.446 0.803 20 0 FCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487529 674117556 /nfs/dbraw/zinc/11/75/56/674117556.db2.gz DMDRKDYTMYQCTH-HNNXBMFYSA-N 2 1 355.479 0.319 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000415084982 245345787 /nfs/dbraw/zinc/34/57/87/245345787.db2.gz PJUKBWLENULESV-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000415084982 245345795 /nfs/dbraw/zinc/34/57/95/245345795.db2.gz PJUKBWLENULESV-CQSZACIVSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000415072528 245346895 /nfs/dbraw/zinc/34/68/95/245346895.db2.gz WLRCWHWDHRSVLE-OAHLLOKOSA-N 2 1 357.882 0.802 20 0 FCADMP C[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000415072528 245346904 /nfs/dbraw/zinc/34/69/04/245346904.db2.gz WLRCWHWDHRSVLE-OAHLLOKOSA-N 2 1 357.882 0.802 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415169533 245351651 /nfs/dbraw/zinc/35/16/51/245351651.db2.gz WDVZWRSVFAYIAJ-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415169533 245351656 /nfs/dbraw/zinc/35/16/56/245351656.db2.gz WDVZWRSVFAYIAJ-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000415294340 245379711 /nfs/dbraw/zinc/37/97/11/245379711.db2.gz OAEPYAMVQOGLEF-IIAWOOMASA-N 2 1 360.458 0.794 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179936 217106275 /nfs/dbraw/zinc/10/62/75/217106275.db2.gz XEFODQXLUBKVGV-CVEARBPZSA-N 2 1 350.507 0.907 20 0 FCADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374796047 217175467 /nfs/dbraw/zinc/17/54/67/217175467.db2.gz CBOVPIXMLMYWKJ-KRWDZBQOSA-N 2 1 368.449 0.725 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182355341 209131052 /nfs/dbraw/zinc/13/10/52/209131052.db2.gz AMJLOOYSOJDQQI-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182355341 209131055 /nfs/dbraw/zinc/13/10/55/209131055.db2.gz AMJLOOYSOJDQQI-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP CCC[NH+]1CCC([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000182395495 209130482 /nfs/dbraw/zinc/13/04/82/209130482.db2.gz HKAXWUQNCGQDKP-UHFFFAOYSA-N 2 1 362.478 0.240 20 0 FCADMP CCC[NH+]1CCC([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000182395495 209130486 /nfs/dbraw/zinc/13/04/86/209130486.db2.gz HKAXWUQNCGQDKP-UHFFFAOYSA-N 2 1 362.478 0.240 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000417663744 245712220 /nfs/dbraw/zinc/71/22/20/245712220.db2.gz AOQKSCCKLMQHCM-IKGGRYGDSA-N 2 1 355.527 0.326 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901394 217331364 /nfs/dbraw/zinc/33/13/64/217331364.db2.gz BSKJXZHCFXDMGF-INIZCTEOSA-N 2 1 354.495 0.108 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000419130226 246004236 /nfs/dbraw/zinc/00/42/36/246004236.db2.gz DZBGMXZCBSULJR-GOSISDBHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158811 246024915 /nfs/dbraw/zinc/02/49/15/246024915.db2.gz YIZOERTWGDQOKX-KGLIPLIRSA-N 2 1 352.504 0.930 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132499 246007631 /nfs/dbraw/zinc/00/76/31/246007631.db2.gz BOGXWHZZSLRYMF-NVXWUHKLSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168345 246031028 /nfs/dbraw/zinc/03/10/28/246031028.db2.gz RRFGVVZZACPOQZ-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172504 246032349 /nfs/dbraw/zinc/03/23/49/246032349.db2.gz ZCOIUJSVNAZQQG-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419176468 246034643 /nfs/dbraw/zinc/03/46/43/246034643.db2.gz ZFQLJXNJRGDOGC-JKSUJKDBSA-N 2 1 354.495 0.333 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419175983 246034688 /nfs/dbraw/zinc/03/46/88/246034688.db2.gz YLFNHNOVGOVMSE-BRWVUGGUSA-N 2 1 368.522 0.722 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176115 246034762 /nfs/dbraw/zinc/03/47/62/246034762.db2.gz YQHLKAHPFDDWNB-AEFFLSMTSA-N 2 1 358.486 0.521 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1(C)C ZINC000419179366 246037178 /nfs/dbraw/zinc/03/71/78/246037178.db2.gz IHVASKKZLVMSBY-HNNXBMFYSA-N 2 1 367.538 0.023 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419182578 246039471 /nfs/dbraw/zinc/03/94/71/246039471.db2.gz CLYKGKJZTMHFBZ-QGZVFWFLSA-N 2 1 367.538 0.152 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419208461 246055276 /nfs/dbraw/zinc/05/52/76/246055276.db2.gz AIPSGYBPUFKDKR-IHRRRGAJSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419208461 246055279 /nfs/dbraw/zinc/05/52/79/246055279.db2.gz AIPSGYBPUFKDKR-IHRRRGAJSA-N 2 1 364.515 0.807 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)CCC(F)(F)F ZINC000419209740 246056343 /nfs/dbraw/zinc/05/63/43/246056343.db2.gz PVZDWBQPJWNYTP-CHWSQXEVSA-N 2 1 364.412 0.445 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)CCC(F)(F)F ZINC000419209740 246056347 /nfs/dbraw/zinc/05/63/47/246056347.db2.gz PVZDWBQPJWNYTP-CHWSQXEVSA-N 2 1 364.412 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223462 246061876 /nfs/dbraw/zinc/06/18/76/246061876.db2.gz DAMBXHVHIMUISW-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419225192 246065345 /nfs/dbraw/zinc/06/53/45/246065345.db2.gz GRWNGDICVXLCKE-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419224071 246065402 /nfs/dbraw/zinc/06/54/02/246065402.db2.gz FCMSWKJFXIIDPA-DJIMGWMZSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419229875 246066845 /nfs/dbraw/zinc/06/68/45/246066845.db2.gz ILPYAYGYBCHKCU-HNNXBMFYSA-N 2 1 360.502 0.993 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419229875 246066850 /nfs/dbraw/zinc/06/68/50/246066850.db2.gz ILPYAYGYBCHKCU-HNNXBMFYSA-N 2 1 360.502 0.993 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@H](C)O1 ZINC000419202965 246051803 /nfs/dbraw/zinc/05/18/03/246051803.db2.gz HEKXSWDRKBZQDF-GASCZTMLSA-N 2 1 362.474 0.329 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419207357 246054776 /nfs/dbraw/zinc/05/47/76/246054776.db2.gz MKIOYEJGNIEQEN-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419230422 246068311 /nfs/dbraw/zinc/06/83/11/246068311.db2.gz PWMVUUBGOGHFEN-OLMNPRSZSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419232081 246069838 /nfs/dbraw/zinc/06/98/38/246069838.db2.gz KGUFOKHTWCCFPB-YUELXQCFSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419232081 246069841 /nfs/dbraw/zinc/06/98/41/246069841.db2.gz KGUFOKHTWCCFPB-YUELXQCFSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419232079 246070516 /nfs/dbraw/zinc/07/05/16/246070516.db2.gz KGUFOKHTWCCFPB-SNPRPXQTSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419232079 246070521 /nfs/dbraw/zinc/07/05/21/246070521.db2.gz KGUFOKHTWCCFPB-SNPRPXQTSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234951 246072339 /nfs/dbraw/zinc/07/23/39/246072339.db2.gz YEXFZEFTHKXXMI-LZLYRXPVSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000419236779 246074486 /nfs/dbraw/zinc/07/44/86/246074486.db2.gz OCADIUBCDIZZFD-CYBMUJFWSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000419236779 246074493 /nfs/dbraw/zinc/07/44/93/246074493.db2.gz OCADIUBCDIZZFD-CYBMUJFWSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419238457 246074519 /nfs/dbraw/zinc/07/45/19/246074519.db2.gz POUJCKQXTHOPKW-KGLIPLIRSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419238457 246074524 /nfs/dbraw/zinc/07/45/24/246074524.db2.gz POUJCKQXTHOPKW-KGLIPLIRSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419253396 246076019 /nfs/dbraw/zinc/07/60/19/246076019.db2.gz UHBXSOMYGFTLMS-CIRFHOKZSA-N 2 1 358.486 0.819 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)[nH+]c1 ZINC000419304948 246093171 /nfs/dbraw/zinc/09/31/71/246093171.db2.gz VJNIPSKTFUJBTG-MRXNPFEDSA-N 2 1 361.490 0.965 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340330 246102514 /nfs/dbraw/zinc/10/25/14/246102514.db2.gz WMIZQHQLWDZTDH-DUOKCRBOSA-N 2 1 374.460 0.678 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419389949 246129547 /nfs/dbraw/zinc/12/95/47/246129547.db2.gz FTJYQYPGHWEDAD-JKSUJKDBSA-N 2 1 362.499 0.198 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419389949 246129551 /nfs/dbraw/zinc/12/95/51/246129551.db2.gz FTJYQYPGHWEDAD-JKSUJKDBSA-N 2 1 362.499 0.198 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000419354644 246113025 /nfs/dbraw/zinc/11/30/25/246113025.db2.gz MGIUWPGDCHVMIG-GDBMZVCRSA-N 2 1 362.474 0.802 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399159 246134904 /nfs/dbraw/zinc/13/49/04/246134904.db2.gz JBWGKGFUWGEBDN-LZLYRXPVSA-N 2 1 360.502 0.985 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402362 246136235 /nfs/dbraw/zinc/13/62/35/246136235.db2.gz CHTYJBZIGGTYLC-ZBFHGGJFSA-N 2 1 368.522 0.986 20 0 FCADMP [NH3+]CCCCNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401829 246136767 /nfs/dbraw/zinc/13/67/67/246136767.db2.gz PNRZATHYEJHKNJ-INIZCTEOSA-N 2 1 364.515 0.575 20 0 FCADMP [NH3+]CCCCNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401829 246136772 /nfs/dbraw/zinc/13/67/72/246136772.db2.gz PNRZATHYEJHKNJ-INIZCTEOSA-N 2 1 364.515 0.575 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404538 246140243 /nfs/dbraw/zinc/14/02/43/246140243.db2.gz TXRJKYYWXLIKRN-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000419408079 246143157 /nfs/dbraw/zinc/14/31/57/246143157.db2.gz LKGJDTRJDJQOFH-YUELXQCFSA-N 2 1 352.504 0.910 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419410209 246145289 /nfs/dbraw/zinc/14/52/89/246145289.db2.gz OHCPIKIVOBZKSL-MSOLQXFVSA-N 2 1 358.486 0.889 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419411930 246145506 /nfs/dbraw/zinc/14/55/06/246145506.db2.gz CDMUDLCLSWDKLB-RTBURBONSA-N 2 1 370.497 0.619 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419422813 246155435 /nfs/dbraw/zinc/15/54/35/246155435.db2.gz MQWZNLMEIAHCAB-HDICACEKSA-N 2 1 356.470 0.229 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419454438 246171220 /nfs/dbraw/zinc/17/12/20/246171220.db2.gz UDTLIHZGSLFPTL-CRAIPNDOSA-N 2 1 373.501 0.167 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419428502 246160311 /nfs/dbraw/zinc/16/03/11/246160311.db2.gz SWLCEOOYLQXIDK-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507624 246186029 /nfs/dbraw/zinc/18/60/29/246186029.db2.gz PLPNVUSCGLQONH-HOTGVXAUSA-N 2 1 361.490 0.024 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000419506476 246186221 /nfs/dbraw/zinc/18/62/21/246186221.db2.gz MJQDFRQAXRMYRE-NUJGCVRESA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419512608 246186631 /nfs/dbraw/zinc/18/66/31/246186631.db2.gz XJWFNVURTZHOSY-OAHLLOKOSA-N 2 1 361.490 0.167 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451879 246171922 /nfs/dbraw/zinc/17/19/22/246171922.db2.gz OCZRKWQXTTZHRD-MRXNPFEDSA-N 2 1 361.490 0.039 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419475107 246175877 /nfs/dbraw/zinc/17/58/77/246175877.db2.gz DEOHBHYZKMVLFK-IXDOHACOSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419475486 246176370 /nfs/dbraw/zinc/17/63/70/246176370.db2.gz DVFJTKCHJRRSRK-IKGGRYGDSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419474838 246176436 /nfs/dbraw/zinc/17/64/36/246176436.db2.gz CQCBFYVTEUTMOY-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419474089 246177309 /nfs/dbraw/zinc/17/73/09/246177309.db2.gz BMJHUEIPBZFDDT-LPHOPBHVSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419484726 246179190 /nfs/dbraw/zinc/17/91/90/246179190.db2.gz UKTOMFCCBIGLBH-IXDOHACOSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419532197 246194318 /nfs/dbraw/zinc/19/43/18/246194318.db2.gz MSYPUBSFHMDDGV-BPQIPLTHSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537304 246196008 /nfs/dbraw/zinc/19/60/08/246196008.db2.gz VRMGNXFSGFYZNA-QAPCUYQASA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419543584 246197105 /nfs/dbraw/zinc/19/71/05/246197105.db2.gz FWBFUNXZHXIBIE-UKRRQHHQSA-N 2 1 352.504 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419539281 246198278 /nfs/dbraw/zinc/19/82/78/246198278.db2.gz YJBJFKFMNVCITI-JOCBIADPSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419722782 246269829 /nfs/dbraw/zinc/26/98/29/246269829.db2.gz MYEBNOKRZZCDAU-LBPRGKRZSA-N 2 1 368.428 0.899 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419722234 246269854 /nfs/dbraw/zinc/26/98/54/246269854.db2.gz LVWRUAWNUQXKSL-CQSZACIVSA-N 2 1 366.412 0.524 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702413 246259447 /nfs/dbraw/zinc/25/94/47/246259447.db2.gz BTOIKIMNMIOTEJ-BVBHFADKSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702417 246259833 /nfs/dbraw/zinc/25/98/33/246259833.db2.gz BTOIKIMNMIOTEJ-YSHGAJCASA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419709886 246264113 /nfs/dbraw/zinc/26/41/13/246264113.db2.gz PFTGGLLLNHBZDH-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758235 246287753 /nfs/dbraw/zinc/28/77/53/246287753.db2.gz JQGJVKKZLYKODJ-DZGCQCFKSA-N 2 1 350.438 0.569 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000419761944 246289693 /nfs/dbraw/zinc/28/96/93/246289693.db2.gz QQASTCQKIWQKFP-LJQANCHMSA-N 2 1 362.449 0.586 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419801200 246298982 /nfs/dbraw/zinc/29/89/82/246298982.db2.gz AWFCFVLBSXWOHF-BRWVUGGUSA-N 2 1 374.485 0.991 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419801201 246300179 /nfs/dbraw/zinc/30/01/79/246300179.db2.gz AWFCFVLBSXWOHF-GVDBMIGSSA-N 2 1 374.485 0.991 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000419809112 246303346 /nfs/dbraw/zinc/30/33/46/246303346.db2.gz HJFMWYFYKHQYOY-CABCVRRESA-N 2 1 364.446 0.109 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419827833 246308023 /nfs/dbraw/zinc/30/80/23/246308023.db2.gz RNFNIFQEQDFXOT-HUUCEWRRSA-N 2 1 362.474 0.248 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419839117 246314240 /nfs/dbraw/zinc/31/42/40/246314240.db2.gz HAMZBZWXJXHHAG-AWEZNQCLSA-N 2 1 350.488 0.303 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419853752 246323444 /nfs/dbraw/zinc/32/34/44/246323444.db2.gz AYPMUPQLCNREJC-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419853752 246323445 /nfs/dbraw/zinc/32/34/45/246323445.db2.gz AYPMUPQLCNREJC-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC1 ZINC000419857727 246327016 /nfs/dbraw/zinc/32/70/16/246327016.db2.gz GWYJZJWIAZMOKC-HNNXBMFYSA-N 2 1 350.488 0.288 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419860885 246331253 /nfs/dbraw/zinc/33/12/53/246331253.db2.gz LISXAXMCVADGLB-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419869323 246337203 /nfs/dbraw/zinc/33/72/03/246337203.db2.gz NDPPCFUPGMGUHR-QGZVFWFLSA-N 2 1 367.538 0.026 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000419867564 246337320 /nfs/dbraw/zinc/33/73/20/246337320.db2.gz IBHKDTBXKJGHEM-CABCVRRESA-N 2 1 364.515 0.821 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000419867567 246337434 /nfs/dbraw/zinc/33/74/34/246337434.db2.gz IBHKDTBXKJGHEM-LSDHHAIUSA-N 2 1 364.515 0.821 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000419915704 246365093 /nfs/dbraw/zinc/36/50/93/246365093.db2.gz YPKXCOIEESNPAA-KRWDZBQOSA-N 2 1 350.507 0.969 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419918590 246369076 /nfs/dbraw/zinc/36/90/76/246369076.db2.gz UOUUJJOGVVEAGB-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000419918590 246369080 /nfs/dbraw/zinc/36/90/80/246369080.db2.gz UOUUJJOGVVEAGB-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419930555 246376492 /nfs/dbraw/zinc/37/64/92/246376492.db2.gz YNAWNQJOGCUJNQ-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+]C1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000419877262 246343232 /nfs/dbraw/zinc/34/32/32/246343232.db2.gz PMXNVJVSHDMNMO-LPOKXYRGSA-N 2 1 370.497 0.963 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419881813 246348538 /nfs/dbraw/zinc/34/85/38/246348538.db2.gz UOYVVSJEVODQHU-HUUCEWRRSA-N 2 1 354.495 0.189 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419891955 246354653 /nfs/dbraw/zinc/35/46/53/246354653.db2.gz UNOOPMRSOZYMBW-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000419948270 246382320 /nfs/dbraw/zinc/38/23/20/246382320.db2.gz FHAVASUVKQXLKA-JKSUJKDBSA-N 2 1 356.511 0.435 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000419948270 246382322 /nfs/dbraw/zinc/38/23/22/246382322.db2.gz FHAVASUVKQXLKA-JKSUJKDBSA-N 2 1 356.511 0.435 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000419967914 246393857 /nfs/dbraw/zinc/39/38/57/246393857.db2.gz OYZNCNSTMOVOKR-DOTOQJQBSA-N 2 1 366.506 0.191 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419973747 246397008 /nfs/dbraw/zinc/39/70/08/246397008.db2.gz IGLDPSWUQBAGMN-INIZCTEOSA-N 2 1 368.522 0.309 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1F ZINC000423134031 246966948 /nfs/dbraw/zinc/96/69/48/246966948.db2.gz RHKRQELVLNKASP-FUHWJXTLSA-N 2 1 374.460 0.633 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H]1C ZINC000423381985 247016090 /nfs/dbraw/zinc/01/60/90/247016090.db2.gz JQYKZQMSCWLGSD-CABCVRRESA-N 2 1 354.495 0.284 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H]1C ZINC000423381985 247016095 /nfs/dbraw/zinc/01/60/95/247016095.db2.gz JQYKZQMSCWLGSD-CABCVRRESA-N 2 1 354.495 0.284 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308508 247000818 /nfs/dbraw/zinc/00/08/18/247000818.db2.gz ONLKSVDXRJWIRL-WMZOPIPTSA-N 2 1 358.486 0.787 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000423317943 247003032 /nfs/dbraw/zinc/00/30/32/247003032.db2.gz BHBMCSFISYOPQF-VBQJREDUSA-N 2 1 363.458 0.802 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573300 247058574 /nfs/dbraw/zinc/05/85/74/247058574.db2.gz WBRGPNDVJSABML-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423590875 247064948 /nfs/dbraw/zinc/06/49/48/247064948.db2.gz JMCIXHNARFLISM-FGTMMUONSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470794 247032981 /nfs/dbraw/zinc/03/29/81/247032981.db2.gz GUGOIXNGDZLXAO-DSLXNQLJSA-N 2 1 370.497 0.773 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423479022 247034711 /nfs/dbraw/zinc/03/47/11/247034711.db2.gz VEDFTMBMLZFRML-CABCVRRESA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423479022 247034716 /nfs/dbraw/zinc/03/47/16/247034716.db2.gz VEDFTMBMLZFRML-CABCVRRESA-N 2 1 356.511 0.122 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501763 247038482 /nfs/dbraw/zinc/03/84/82/247038482.db2.gz DPOGBWXOVMRTIC-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501763 247038489 /nfs/dbraw/zinc/03/84/89/247038489.db2.gz DPOGBWXOVMRTIC-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000423527648 247042746 /nfs/dbraw/zinc/04/27/46/247042746.db2.gz MZLIDTKLHOEAEC-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000423527648 247042751 /nfs/dbraw/zinc/04/27/51/247042751.db2.gz MZLIDTKLHOEAEC-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423608722 247075714 /nfs/dbraw/zinc/07/57/14/247075714.db2.gz OKBMTLHJCCIPMB-NEWSRXKRSA-N 2 1 370.497 0.787 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423619712 247078325 /nfs/dbraw/zinc/07/83/25/247078325.db2.gz IQMWLBFTJLJVCT-OAHLLOKOSA-N 2 1 350.463 0.900 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624807 247081197 /nfs/dbraw/zinc/08/11/97/247081197.db2.gz DQHMBSKYCNYVHZ-RXVVDRJESA-N 2 1 370.497 0.918 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423624806 247081322 /nfs/dbraw/zinc/08/13/22/247081322.db2.gz DQHMBSKYCNYVHZ-NQIIRXRSSA-N 2 1 370.497 0.918 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423626937 247083887 /nfs/dbraw/zinc/08/38/87/247083887.db2.gz GPWLEERIRHMBDA-HUUCEWRRSA-N 2 1 364.515 0.631 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423651903 247092642 /nfs/dbraw/zinc/09/26/42/247092642.db2.gz WLTSFNCQKZMTEF-CEXWTWQISA-N 2 1 370.497 0.917 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423663075 247102128 /nfs/dbraw/zinc/10/21/28/247102128.db2.gz NSVRUQLJKPDPFH-MOPGFXCFSA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423663075 247102131 /nfs/dbraw/zinc/10/21/31/247102131.db2.gz NSVRUQLJKPDPFH-MOPGFXCFSA-N 2 1 372.513 0.972 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000423668742 247103468 /nfs/dbraw/zinc/10/34/68/247103468.db2.gz WTLYVASERNZSOI-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725773 247128004 /nfs/dbraw/zinc/12/80/04/247128004.db2.gz SVKCDDYXORBNJX-BPQIPLTHSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423742053 247135220 /nfs/dbraw/zinc/13/52/20/247135220.db2.gz UDCRXPPDSOQPIM-UHOSZYNNSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423742053 247135224 /nfs/dbraw/zinc/13/52/24/247135224.db2.gz UDCRXPPDSOQPIM-UHOSZYNNSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@H]1C[NH3+] ZINC000423748769 247136603 /nfs/dbraw/zinc/13/66/03/247136603.db2.gz ZRMCWTCZUFXTAX-WBVHZDCISA-N 2 1 367.538 0.057 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@H]1C[NH3+] ZINC000423748769 247136608 /nfs/dbraw/zinc/13/66/08/247136608.db2.gz ZRMCWTCZUFXTAX-WBVHZDCISA-N 2 1 367.538 0.057 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424494566 247239703 /nfs/dbraw/zinc/23/97/03/247239703.db2.gz NSLYZNOQRVYWSM-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424493862 247240134 /nfs/dbraw/zinc/24/01/34/247240134.db2.gz LNVAUCNXKCAWLP-RCCFBDPRSA-N 2 1 356.470 0.669 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000424498028 247240783 /nfs/dbraw/zinc/24/07/83/247240783.db2.gz YKJJJKHKJMFNRV-GJZGRUSLSA-N 2 1 354.495 0.141 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000424497449 247241666 /nfs/dbraw/zinc/24/16/66/247241666.db2.gz XDNUHCDEERRAFE-CABCVRRESA-N 2 1 354.495 0.141 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000425382721 247328035 /nfs/dbraw/zinc/32/80/35/247328035.db2.gz HMJYYYGTJOSTTR-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000425382721 247328040 /nfs/dbraw/zinc/32/80/40/247328040.db2.gz HMJYYYGTJOSTTR-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NCCN2CCOCC2(C)C)CC1(C)C ZINC000440984685 248229349 /nfs/dbraw/zinc/22/93/49/248229349.db2.gz NTIADTKCZWSDCN-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775624 248297316 /nfs/dbraw/zinc/29/73/16/248297316.db2.gz ASQRCCIQOACMDP-NVXWUHKLSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775624 248297319 /nfs/dbraw/zinc/29/73/19/248297319.db2.gz ASQRCCIQOACMDP-NVXWUHKLSA-N 2 1 374.485 0.444 20 0 FCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000443066942 248305601 /nfs/dbraw/zinc/30/56/01/248305601.db2.gz GBBYCGVGRDSTAQ-AWEZNQCLSA-N 2 1 368.503 0.950 20 0 FCADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)CN1CC[NH+](C)CC1 ZINC000446376746 248387406 /nfs/dbraw/zinc/38/74/06/248387406.db2.gz LPQFTAKOLZLPOR-OAFZBRQQSA-N 2 1 352.523 0.519 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c2ccccc2)CC1 ZINC000452345734 249307937 /nfs/dbraw/zinc/30/79/37/249307937.db2.gz FNJVKMJIIVXNJC-VQTJNVASSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c2ccccc2)CC1 ZINC000452345734 249307939 /nfs/dbraw/zinc/30/79/39/249307939.db2.gz FNJVKMJIIVXNJC-VQTJNVASSA-N 2 1 374.529 0.938 20 0 FCADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854659 250120100 /nfs/dbraw/zinc/12/01/00/250120100.db2.gz CABOBIJAFPWMAK-QZTJIDSGSA-N 2 1 358.486 0.617 20 0 FCADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854659 250120102 /nfs/dbraw/zinc/12/01/02/250120102.db2.gz CABOBIJAFPWMAK-QZTJIDSGSA-N 2 1 358.486 0.617 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000472270670 250143492 /nfs/dbraw/zinc/14/34/92/250143492.db2.gz ARUZVFHWTIDWFG-QGZVFWFLSA-N 2 1 369.506 0.831 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472183939 250138344 /nfs/dbraw/zinc/13/83/44/250138344.db2.gz WNVGBLAMAGCXMD-SFHVURJKSA-N 2 1 354.539 0.973 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084905 250270558 /nfs/dbraw/zinc/27/05/58/250270558.db2.gz ZWVUTQUVYYWQGN-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932480 250257088 /nfs/dbraw/zinc/25/70/88/250257088.db2.gz MHLWINCUBQMRAL-GJZGRUSLSA-N 2 1 351.499 0.934 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979132 250305163 /nfs/dbraw/zinc/30/51/63/250305163.db2.gz LGLZCVBBUOCJFE-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979132 250305166 /nfs/dbraw/zinc/30/51/66/250305166.db2.gz LGLZCVBBUOCJFE-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979132 250305170 /nfs/dbraw/zinc/30/51/70/250305170.db2.gz LGLZCVBBUOCJFE-TWMKSMIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000481132414 250316742 /nfs/dbraw/zinc/31/67/42/250316742.db2.gz FBKCUPFKJVQYGW-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000481132414 250316746 /nfs/dbraw/zinc/31/67/46/250316746.db2.gz FBKCUPFKJVQYGW-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000481132414 250316750 /nfs/dbraw/zinc/31/67/50/250316750.db2.gz FBKCUPFKJVQYGW-QXSJWSMHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746256 250351689 /nfs/dbraw/zinc/35/16/89/250351689.db2.gz VBVXPJYKVDFDIF-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746256 250351692 /nfs/dbraw/zinc/35/16/92/250351692.db2.gz VBVXPJYKVDFDIF-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000481769104 250356276 /nfs/dbraw/zinc/35/62/76/250356276.db2.gz JMOCNYNFEQQRFT-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000481769104 250356279 /nfs/dbraw/zinc/35/62/79/250356279.db2.gz JMOCNYNFEQQRFT-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000481769104 250356284 /nfs/dbraw/zinc/35/62/84/250356284.db2.gz JMOCNYNFEQQRFT-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCSC1 ZINC000481797631 250362420 /nfs/dbraw/zinc/36/24/20/250362420.db2.gz SLACQMGCHXAZHH-BBRMVZONSA-N 2 1 357.524 0.063 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]([NH3+])CC(N)=O)CC2)c1 ZINC000269750112 211065411 /nfs/dbraw/zinc/06/54/11/211065411.db2.gz ZPMFQWRARQRXPS-QGZVFWFLSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833399 250366544 /nfs/dbraw/zinc/36/65/44/250366544.db2.gz YNZZQAUUYKYNHV-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000481833399 250366558 /nfs/dbraw/zinc/36/65/58/250366558.db2.gz YNZZQAUUYKYNHV-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000481858552 250367711 /nfs/dbraw/zinc/36/77/11/250367711.db2.gz VQWDNIDUNQYJMX-HZPDHXFCSA-N 2 1 356.511 0.260 20 0 FCADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000269702097 211050577 /nfs/dbraw/zinc/05/05/77/211050577.db2.gz MDWNYQNZUSVKCV-IUODEOHRSA-N 2 1 365.453 0.348 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000269675418 211040614 /nfs/dbraw/zinc/04/06/14/211040614.db2.gz HDLJWKARNQYBRR-QGZVFWFLSA-N 2 1 362.474 0.377 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589199 211016998 /nfs/dbraw/zinc/01/69/98/211016998.db2.gz BXLUGJPNPIZYJZ-STQMWFEESA-N 2 1 358.364 0.599 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269589199 211017004 /nfs/dbraw/zinc/01/70/04/211017004.db2.gz BXLUGJPNPIZYJZ-STQMWFEESA-N 2 1 358.364 0.599 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413463042 532990318 /nfs/dbraw/zinc/99/03/18/532990318.db2.gz XZCQJXXFZQXPJJ-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+](C)C1 ZINC000413253049 532995063 /nfs/dbraw/zinc/99/50/63/532995063.db2.gz TZHMVQBRSGEYOG-HZPDHXFCSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253049 532995070 /nfs/dbraw/zinc/99/50/70/532995070.db2.gz TZHMVQBRSGEYOG-HZPDHXFCSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+](C)C1 ZINC000413253049 532995073 /nfs/dbraw/zinc/99/50/73/532995073.db2.gz TZHMVQBRSGEYOG-HZPDHXFCSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C)C1 ZINC000413893228 533000875 /nfs/dbraw/zinc/00/08/75/533000875.db2.gz AMFNGLMXWJDNNC-ZBFHGGJFSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C)C1 ZINC000413893228 533000878 /nfs/dbraw/zinc/00/08/78/533000878.db2.gz AMFNGLMXWJDNNC-ZBFHGGJFSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893228 533000882 /nfs/dbraw/zinc/00/08/82/533000882.db2.gz AMFNGLMXWJDNNC-ZBFHGGJFSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893228 533000887 /nfs/dbraw/zinc/00/08/87/533000887.db2.gz AMFNGLMXWJDNNC-ZBFHGGJFSA-N 2 1 353.463 0.193 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1)Cc1ccccc1 ZINC000066534125 208017130 /nfs/dbraw/zinc/01/71/30/208017130.db2.gz MAGDYCXHOPHMNL-HXUWFJFHSA-N 2 1 357.502 0.994 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000079123882 208088380 /nfs/dbraw/zinc/08/83/80/208088380.db2.gz RUISSMWIVRGMKV-QGZVFWFLSA-N 2 1 360.458 0.716 20 0 FCADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000111174297 208277179 /nfs/dbraw/zinc/27/71/79/208277179.db2.gz GVLXSKCLHJMZCD-UHFFFAOYSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119840083 208370291 /nfs/dbraw/zinc/37/02/91/208370291.db2.gz NBWAJKHVQXPTFX-QFBILLFUSA-N 2 1 360.502 0.158 20 0 FCADMP C[C@@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119840083 208370296 /nfs/dbraw/zinc/37/02/96/208370296.db2.gz NBWAJKHVQXPTFX-QFBILLFUSA-N 2 1 360.502 0.158 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000266581786 210362348 /nfs/dbraw/zinc/36/23/48/210362348.db2.gz BHBJNWAYAQOZMX-UHFFFAOYSA-N 2 1 360.418 0.290 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@@H+](C)C1 ZINC000413049984 533477096 /nfs/dbraw/zinc/47/70/96/533477096.db2.gz UHQYYBREXZJOFR-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173947348 229212600 /nfs/dbraw/zinc/21/26/00/229212600.db2.gz OYEHUCYIOYISRY-UHFFFAOYSA-N 2 1 351.499 0.592 20 0 FCADMP C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000187334111 229239291 /nfs/dbraw/zinc/23/92/91/229239291.db2.gz SZJOLPOWCSPPKN-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000410091666 230059676 /nfs/dbraw/zinc/05/96/76/230059676.db2.gz SVVCBSXWMVAPSF-SJORKVTESA-N 2 1 355.504 0.617 20 0 FCADMP COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000410091666 230059679 /nfs/dbraw/zinc/05/96/79/230059679.db2.gz SVVCBSXWMVAPSF-SJORKVTESA-N 2 1 355.504 0.617 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@H]1[NH+](C)C ZINC000410529976 230122202 /nfs/dbraw/zinc/12/22/02/230122202.db2.gz VUWCGSKLZKKPKR-GOEBONIOSA-N 2 1 361.490 0.610 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410722945 230214728 /nfs/dbraw/zinc/21/47/28/230214728.db2.gz QSXRBXTXDCUXRI-UHFFFAOYSA-N 2 1 366.506 0.252 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779693 230246583 /nfs/dbraw/zinc/24/65/83/230246583.db2.gz MAMAKDWJFMJFOU-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410935482 230310346 /nfs/dbraw/zinc/31/03/46/230310346.db2.gz FKMLHNGCXKTVSE-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410935482 230310348 /nfs/dbraw/zinc/31/03/48/230310348.db2.gz FKMLHNGCXKTVSE-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000562798910 491189433 /nfs/dbraw/zinc/18/94/33/491189433.db2.gz YZQKVNALYYYHAS-INIZCTEOSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794821 491189586 /nfs/dbraw/zinc/18/95/86/491189586.db2.gz ROFRKPBQTBQOEL-DZGCQCFKSA-N 2 1 351.520 0.779 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794821 491189590 /nfs/dbraw/zinc/18/95/90/491189590.db2.gz ROFRKPBQTBQOEL-DZGCQCFKSA-N 2 1 351.520 0.779 20 0 FCADMP COc1cc2[nH+]c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nc(N)c2cc1OC ZINC000364030060 488915741 /nfs/dbraw/zinc/91/57/41/488915741.db2.gz BOCAZDVEODBSLJ-RYUDHWBXSA-N 2 1 359.430 0.926 20 0 FCADMP COc1cc2[nH+]c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)nc(N)c2cc1OC ZINC000364030060 488915744 /nfs/dbraw/zinc/91/57/44/488915744.db2.gz BOCAZDVEODBSLJ-RYUDHWBXSA-N 2 1 359.430 0.926 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000327704580 488920862 /nfs/dbraw/zinc/92/08/62/488920862.db2.gz YHCNXCZYJYUWPT-HNNXBMFYSA-N 2 1 368.503 0.224 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364163012 488929779 /nfs/dbraw/zinc/92/97/79/488929779.db2.gz OITPGDCVDVWOLI-DLBZAZTESA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000364177174 488930778 /nfs/dbraw/zinc/93/07/78/488930778.db2.gz YPPVWIBPCGWUIV-BRWVUGGUSA-N 2 1 365.522 0.317 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1C1CC1 ZINC000364177174 488930782 /nfs/dbraw/zinc/93/07/82/488930782.db2.gz YPPVWIBPCGWUIV-BRWVUGGUSA-N 2 1 365.522 0.317 20 0 FCADMP O=C1OCC[C@]12CCCN2CCOCC[N@H+]1CCC[C@]12CCOC2=O ZINC000364446285 488961157 /nfs/dbraw/zinc/96/11/57/488961157.db2.gz STJMQWKGGZRHSL-QZTJIDSGSA-N 2 1 352.431 0.566 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000028421874 487709413 /nfs/dbraw/zinc/70/94/13/487709413.db2.gz IGZMUAXWBANPQY-AWEZNQCLSA-N 2 1 367.519 0.860 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279674369 488960477 /nfs/dbraw/zinc/96/04/77/488960477.db2.gz GGXQRDMOQXDRCR-KRWDZBQOSA-N 2 1 358.490 0.732 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279674369 488960482 /nfs/dbraw/zinc/96/04/82/488960482.db2.gz GGXQRDMOQXDRCR-KRWDZBQOSA-N 2 1 358.490 0.732 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043239658 487893930 /nfs/dbraw/zinc/89/39/30/487893930.db2.gz LKPQHQZALFYFQZ-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043239658 487893935 /nfs/dbraw/zinc/89/39/35/487893935.db2.gz LKPQHQZALFYFQZ-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000066651190 488334326 /nfs/dbraw/zinc/33/43/26/488334326.db2.gz IVIZAWXRBAIUJU-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000066651190 488334327 /nfs/dbraw/zinc/33/43/27/488334327.db2.gz IVIZAWXRBAIUJU-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](CCNC(=O)c1cccc(C(=O)NCC[N@H+](C)C2CC2)n1)C1CC1 ZINC000066924225 488340895 /nfs/dbraw/zinc/34/08/95/488340895.db2.gz PNETUYCDDPKYSE-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069402291 488372301 /nfs/dbraw/zinc/37/23/01/488372301.db2.gz QACJBOXJPRUDEG-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069402291 488372302 /nfs/dbraw/zinc/37/23/02/488372302.db2.gz QACJBOXJPRUDEG-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069423853 488372429 /nfs/dbraw/zinc/37/24/29/488372429.db2.gz JZJGEQMTHQLCDT-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069423853 488372430 /nfs/dbraw/zinc/37/24/30/488372430.db2.gz JZJGEQMTHQLCDT-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069936759 488374793 /nfs/dbraw/zinc/37/47/93/488374793.db2.gz OHKWOXXTIUBXAB-KSZLIROESA-N 2 1 366.506 0.603 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074064673 488387403 /nfs/dbraw/zinc/38/74/03/488387403.db2.gz YISWBDKONXGSIQ-KRWDZBQOSA-N 2 1 369.554 0.670 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1=O ZINC000074191176 488388511 /nfs/dbraw/zinc/38/85/11/488388511.db2.gz UXJPZEZFVRJOAW-IBGZPJMESA-N 2 1 372.513 0.783 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000074345242 488391177 /nfs/dbraw/zinc/39/11/77/488391177.db2.gz VGBLAMSQXZDBNL-IRXDYDNUSA-N 2 1 365.522 0.844 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352089 488391233 /nfs/dbraw/zinc/39/12/33/488391233.db2.gz DMZVCLRBTAJWQJ-MAUKXSAKSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352089 488391236 /nfs/dbraw/zinc/39/12/36/488391236.db2.gz DMZVCLRBTAJWQJ-MAUKXSAKSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000074657065 488393191 /nfs/dbraw/zinc/39/31/91/488393191.db2.gz DCSAWJWIMCASFU-ROUUACIJSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@H](CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000184827788 488398220 /nfs/dbraw/zinc/39/82/20/488398220.db2.gz JYBIKWIZXSOHEO-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CCN2C1=O ZINC000569824714 491195791 /nfs/dbraw/zinc/19/57/91/491195791.db2.gz DSVWRCKKIJYPSY-DLBZAZTESA-N 2 1 369.473 0.754 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076308869 488403288 /nfs/dbraw/zinc/40/32/88/488403288.db2.gz DSYYCOGPKGADSJ-SFHVURJKSA-N 2 1 354.539 0.923 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000076971736 488408096 /nfs/dbraw/zinc/40/80/96/488408096.db2.gz FWQWTIGAPAEFFH-HOTGVXAUSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000076971736 488408097 /nfs/dbraw/zinc/40/80/97/488408097.db2.gz FWQWTIGAPAEFFH-HOTGVXAUSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000076971736 488408098 /nfs/dbraw/zinc/40/80/98/488408098.db2.gz FWQWTIGAPAEFFH-HOTGVXAUSA-N 2 1 365.522 0.890 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000189995233 488416228 /nfs/dbraw/zinc/41/62/28/488416228.db2.gz XFLMYZKEZKBYEZ-IKGGRYGDSA-N 2 1 368.522 0.437 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000189995233 488416230 /nfs/dbraw/zinc/41/62/30/488416230.db2.gz XFLMYZKEZKBYEZ-IKGGRYGDSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000077804567 488418379 /nfs/dbraw/zinc/41/83/79/488418379.db2.gz DEUHIJVMSJFJTE-HOTGVXAUSA-N 2 1 367.538 0.864 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c2C1 ZINC000077910986 488419328 /nfs/dbraw/zinc/41/93/28/488419328.db2.gz VYTJIGGBWJWNMP-UHFFFAOYSA-N 2 1 374.485 0.924 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c2C1 ZINC000077910986 488419329 /nfs/dbraw/zinc/41/93/29/488419329.db2.gz VYTJIGGBWJWNMP-UHFFFAOYSA-N 2 1 374.485 0.924 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000078030967 488419677 /nfs/dbraw/zinc/41/96/77/488419677.db2.gz UHQAOPFWNSYENM-MSOLQXFVSA-N 2 1 373.501 0.573 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000192595436 488423007 /nfs/dbraw/zinc/42/30/07/488423007.db2.gz LMAPGDDGSKPCPH-LBPRGKRZSA-N 2 1 357.524 0.823 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058901 488426709 /nfs/dbraw/zinc/42/67/09/488426709.db2.gz XNAOTWQRVRLRCP-WBVHZDCISA-N 2 1 365.522 0.807 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000079689425 488431614 /nfs/dbraw/zinc/43/16/14/488431614.db2.gz CISJXPOWSHQIEQ-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565257 488435975 /nfs/dbraw/zinc/43/59/75/488435975.db2.gz BQUOAMCRIQEFRU-OAHLLOKOSA-N 2 1 363.510 0.782 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081293009 488440185 /nfs/dbraw/zinc/44/01/85/488440185.db2.gz AATXDAULLJOKQF-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)n1C ZINC000083738588 488449254 /nfs/dbraw/zinc/44/92/54/488449254.db2.gz QKVYRYPXRWRRDA-UHFFFAOYSA-N 2 1 351.499 0.311 20 0 FCADMP [NH3+][C@H]1CCC[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000238039206 488458054 /nfs/dbraw/zinc/45/80/54/488458054.db2.gz KMCRSWCKFZVSMQ-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000245586133 488465405 /nfs/dbraw/zinc/46/54/05/488465405.db2.gz AJDKVOQJEZFXJE-QFBILLFUSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000245586133 488465407 /nfs/dbraw/zinc/46/54/07/488465407.db2.gz AJDKVOQJEZFXJE-QFBILLFUSA-N 2 1 370.538 0.879 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000245987760 488468804 /nfs/dbraw/zinc/46/88/04/488468804.db2.gz HLXWGGJHEUTYOW-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000245987760 488468805 /nfs/dbraw/zinc/46/88/05/488468805.db2.gz HLXWGGJHEUTYOW-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246204228 488470649 /nfs/dbraw/zinc/47/06/49/488470649.db2.gz NCXXIFQGCFFSLC-SJLPKXTDSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000246204228 488470651 /nfs/dbraw/zinc/47/06/51/488470651.db2.gz NCXXIFQGCFFSLC-SJLPKXTDSA-N 2 1 356.511 0.489 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246774608 488475633 /nfs/dbraw/zinc/47/56/33/488475633.db2.gz IFEMCRCBYUUCRB-IAGOWNOFSA-N 2 1 356.511 0.632 20 0 FCADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044822 488480371 /nfs/dbraw/zinc/48/03/71/488480371.db2.gz OLSGNXIGYHTLFN-IRXDYDNUSA-N 2 1 360.506 0.835 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)c2)CC1 ZINC000269273561 488485580 /nfs/dbraw/zinc/48/55/80/488485580.db2.gz UVQJYCGOWGNLMI-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000269297766 488488777 /nfs/dbraw/zinc/48/87/77/488488777.db2.gz PAJXVSUVKNKSDV-QGZVFWFLSA-N 2 1 366.893 0.957 20 0 FCADMP O=C(C[C@H]1C[NH2+]CCO1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269307759 488489792 /nfs/dbraw/zinc/48/97/92/488489792.db2.gz UVYZJCDBMRQGJI-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)C[C@H]3CO)CC2)cc1 ZINC000248401325 488495136 /nfs/dbraw/zinc/49/51/36/488495136.db2.gz ZKGLDDXDGYZPIR-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)C[C@H]3CO)CC2)cc1 ZINC000248401325 488495138 /nfs/dbraw/zinc/49/51/38/488495138.db2.gz ZKGLDDXDGYZPIR-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H]3CO)CC2)cc1 ZINC000248401325 488495140 /nfs/dbraw/zinc/49/51/40/488495140.db2.gz ZKGLDDXDGYZPIR-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](O)C[C@H]3CO)CC2)cc1 ZINC000248401325 488495141 /nfs/dbraw/zinc/49/51/41/488495141.db2.gz ZKGLDDXDGYZPIR-RBUKOAKNSA-N 2 1 361.486 0.457 20 0 FCADMP CC(C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000101978959 488496448 /nfs/dbraw/zinc/49/64/48/488496448.db2.gz PDKAXGWKUCOEMG-UHFFFAOYSA-N 2 1 363.510 0.628 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000101978959 488496451 /nfs/dbraw/zinc/49/64/51/488496451.db2.gz PDKAXGWKUCOEMG-UHFFFAOYSA-N 2 1 363.510 0.628 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000103305352 488500531 /nfs/dbraw/zinc/50/05/31/488500531.db2.gz QBELHFUBLAUCDK-KRWDZBQOSA-N 2 1 365.522 0.668 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103509975 488502739 /nfs/dbraw/zinc/50/27/39/488502739.db2.gz YUQVHRMZNOOWGB-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000104088022 488504298 /nfs/dbraw/zinc/50/42/98/488504298.db2.gz SIPLFZMNXLHTLD-UHFFFAOYSA-N 2 1 374.529 0.985 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000249011140 488505121 /nfs/dbraw/zinc/50/51/21/488505121.db2.gz OQMSSFPZZNVNOG-GOSISDBHSA-N 2 1 364.490 0.367 20 0 FCADMP CC[NH+](CCO)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249011140 488505124 /nfs/dbraw/zinc/50/51/24/488505124.db2.gz OQMSSFPZZNVNOG-GOSISDBHSA-N 2 1 364.490 0.367 20 0 FCADMP CC[NH+](CCO)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249011140 488505126 /nfs/dbraw/zinc/50/51/26/488505126.db2.gz OQMSSFPZZNVNOG-GOSISDBHSA-N 2 1 364.490 0.367 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249116224 488506624 /nfs/dbraw/zinc/50/66/24/488506624.db2.gz OBUQEHPDWFAYNV-SJORKVTESA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249116224 488506626 /nfs/dbraw/zinc/50/66/26/488506626.db2.gz OBUQEHPDWFAYNV-SJORKVTESA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249116224 488506628 /nfs/dbraw/zinc/50/66/28/488506628.db2.gz OBUQEHPDWFAYNV-SJORKVTESA-N 2 1 370.538 0.830 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000249118518 488506658 /nfs/dbraw/zinc/50/66/58/488506658.db2.gz OSYLIRRXZMFLOJ-IRXDYDNUSA-N 2 1 369.554 0.357 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108570901 488520265 /nfs/dbraw/zinc/52/02/65/488520265.db2.gz OLCTZJJBZCHXQR-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108570901 488520268 /nfs/dbraw/zinc/52/02/68/488520268.db2.gz OLCTZJJBZCHXQR-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108570901 488520269 /nfs/dbraw/zinc/52/02/69/488520269.db2.gz OLCTZJJBZCHXQR-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000111865037 488532215 /nfs/dbraw/zinc/53/22/15/488532215.db2.gz GWXHNUBPDYCQRA-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755815 488534518 /nfs/dbraw/zinc/53/45/18/488534518.db2.gz FLXNTSPRMIBYHD-PVAVHDDUSA-N 2 1 374.489 0.106 20 0 FCADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755815 488534521 /nfs/dbraw/zinc/53/45/21/488534521.db2.gz FLXNTSPRMIBYHD-PVAVHDDUSA-N 2 1 374.489 0.106 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757808 488534659 /nfs/dbraw/zinc/53/46/59/488534659.db2.gz JLLXFRLCABSKDO-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000261768794 488535249 /nfs/dbraw/zinc/53/52/49/488535249.db2.gz WRGPAUJRPHHQQV-CQSZACIVSA-N 2 1 351.447 0.999 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](c2ccccc2)C1 ZINC000261784942 488535658 /nfs/dbraw/zinc/53/56/58/488535658.db2.gz NFSUQJLGMRVTNT-QRVBRYPASA-N 2 1 360.502 0.988 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](c2ccccc2)C1 ZINC000261784942 488535659 /nfs/dbraw/zinc/53/56/59/488535659.db2.gz NFSUQJLGMRVTNT-QRVBRYPASA-N 2 1 360.502 0.988 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](c2ccccc2)C1 ZINC000261784942 488535660 /nfs/dbraw/zinc/53/56/60/488535660.db2.gz NFSUQJLGMRVTNT-QRVBRYPASA-N 2 1 360.502 0.988 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](c2ccccc2)C1 ZINC000261784948 488536183 /nfs/dbraw/zinc/53/61/83/488536183.db2.gz NFSUQJLGMRVTNT-QYZOEREBSA-N 2 1 360.502 0.988 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](c2ccccc2)C1 ZINC000261784948 488536186 /nfs/dbraw/zinc/53/61/86/488536186.db2.gz NFSUQJLGMRVTNT-QYZOEREBSA-N 2 1 360.502 0.988 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](c2ccccc2)C1 ZINC000261784948 488536187 /nfs/dbraw/zinc/53/61/87/488536187.db2.gz NFSUQJLGMRVTNT-QYZOEREBSA-N 2 1 360.502 0.988 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261899232 488540425 /nfs/dbraw/zinc/54/04/25/488540425.db2.gz WIQPGOMXEZEAGN-IAGOWNOFSA-N 2 1 360.458 0.829 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261899232 488540427 /nfs/dbraw/zinc/54/04/27/488540427.db2.gz WIQPGOMXEZEAGN-IAGOWNOFSA-N 2 1 360.458 0.829 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003326 488545303 /nfs/dbraw/zinc/54/53/03/488545303.db2.gz DSAMZIKSTCULCX-ROUUACIJSA-N 2 1 351.539 0.299 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262008973 488546021 /nfs/dbraw/zinc/54/60/21/488546021.db2.gz QOTLGSUBQPXDIG-LSDHHAIUSA-N 2 1 350.850 0.681 20 0 FCADMP O=C(CC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262089766 488549485 /nfs/dbraw/zinc/54/94/85/488549485.db2.gz LHAWLNIGFQKODD-UHFFFAOYSA-N 2 1 372.513 0.975 20 0 FCADMP O=C(CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)N1CC[NH2+]CC1 ZINC000262095051 488549888 /nfs/dbraw/zinc/54/98/88/488549888.db2.gz LRLUPGVJFORCFP-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000119633909 488558344 /nfs/dbraw/zinc/55/83/44/488558344.db2.gz IFEMCRCBYUUCRB-IRXDYDNUSA-N 2 1 356.511 0.632 20 0 FCADMP O=C(CC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262280517 488561490 /nfs/dbraw/zinc/56/14/90/488561490.db2.gz ZEOCSFIAXCRCSC-UHFFFAOYSA-N 2 1 362.449 0.796 20 0 FCADMP C[NH2+][C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1cnn(C)c1 ZINC000262333904 488564722 /nfs/dbraw/zinc/56/47/22/488564722.db2.gz HBQVHUISGSJSKT-MRXNPFEDSA-N 2 1 372.429 0.789 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000121477519 488568357 /nfs/dbraw/zinc/56/83/57/488568357.db2.gz BJAPDTFLRUMRKV-MSOLQXFVSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000121477519 488568359 /nfs/dbraw/zinc/56/83/59/488568359.db2.gz BJAPDTFLRUMRKV-MSOLQXFVSA-N 2 1 369.554 0.404 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000262650703 488584529 /nfs/dbraw/zinc/58/45/29/488584529.db2.gz QVEXAQALJQBWKF-QZTJIDSGSA-N 2 1 358.486 1.000 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)nn1C ZINC000124647066 488594458 /nfs/dbraw/zinc/59/44/58/488594458.db2.gz CJZYKABGRNNYOO-HNNXBMFYSA-N 2 1 364.494 0.542 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)nn1C ZINC000124646825 488594675 /nfs/dbraw/zinc/59/46/75/488594675.db2.gz CJZYKABGRNNYOO-OAHLLOKOSA-N 2 1 364.494 0.542 20 0 FCADMP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000124648515 488594704 /nfs/dbraw/zinc/59/47/04/488594704.db2.gz RZJPDXMRCSJVAE-MRXNPFEDSA-N 2 1 364.494 0.716 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000272823846 488608473 /nfs/dbraw/zinc/60/84/73/488608473.db2.gz KLCGPYYGFZIDIU-XLIONFOSSA-N 2 1 374.529 0.895 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000272823846 488608477 /nfs/dbraw/zinc/60/84/77/488608477.db2.gz KLCGPYYGFZIDIU-XLIONFOSSA-N 2 1 374.529 0.895 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127494661 488617393 /nfs/dbraw/zinc/61/73/93/488617393.db2.gz BEFAHYWCKPNAHF-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079422 488628875 /nfs/dbraw/zinc/62/88/75/488628875.db2.gz SZEFVBBCHUDLOY-IAGOWNOFSA-N 2 1 367.538 0.301 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000563074937 491213403 /nfs/dbraw/zinc/21/34/03/491213403.db2.gz VDRBYDACETUILE-MOPGFXCFSA-N 2 1 372.513 0.926 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000130540249 488637982 /nfs/dbraw/zinc/63/79/82/488637982.db2.gz IXJQJDKERWUGIP-UHFFFAOYSA-N 3 1 361.490 0.522 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000130540249 488637984 /nfs/dbraw/zinc/63/79/84/488637984.db2.gz IXJQJDKERWUGIP-UHFFFAOYSA-N 3 1 361.490 0.522 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000131090344 488643040 /nfs/dbraw/zinc/64/30/40/488643040.db2.gz VYJJVFBCNJQPGN-MJGOQNOKSA-N 2 1 370.538 0.737 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000131090344 488643043 /nfs/dbraw/zinc/64/30/43/488643043.db2.gz VYJJVFBCNJQPGN-MJGOQNOKSA-N 2 1 370.538 0.737 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cn2)CC1 ZINC000134375548 488666836 /nfs/dbraw/zinc/66/68/36/488666836.db2.gz YQERDABGYGFDBD-UHFFFAOYSA-N 2 1 355.508 0.531 20 0 FCADMP CC[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000134589994 488667689 /nfs/dbraw/zinc/66/76/89/488667689.db2.gz OGOYTACMMWQONQ-FQEVSTJZSA-N 2 1 358.486 0.979 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)c2ccccc2)CC1 ZINC000136133928 488676591 /nfs/dbraw/zinc/67/65/91/488676591.db2.gz QXJRHBPZAPHPRV-HXUWFJFHSA-N 2 1 374.529 0.938 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC000138494557 488682108 /nfs/dbraw/zinc/68/21/08/488682108.db2.gz VJSKLCYXCWIQEK-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC000138494557 488682110 /nfs/dbraw/zinc/68/21/10/488682110.db2.gz VJSKLCYXCWIQEK-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000138494557 488682112 /nfs/dbraw/zinc/68/21/12/488682112.db2.gz VJSKLCYXCWIQEK-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP COCCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264777794 488710594 /nfs/dbraw/zinc/71/05/94/488710594.db2.gz TULRQPRXIKAXEI-UHFFFAOYSA-N 2 1 356.492 0.550 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000151853915 488710712 /nfs/dbraw/zinc/71/07/12/488710712.db2.gz ZXHWCMTZVDPBEK-INIZCTEOSA-N 2 1 354.495 0.509 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@H](C)C1 ZINC000151980128 488711747 /nfs/dbraw/zinc/71/17/47/488711747.db2.gz GZRNLPCHLZCZLG-SJLPKXTDSA-N 2 1 354.539 0.923 20 0 FCADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000151995124 488712579 /nfs/dbraw/zinc/71/25/79/488712579.db2.gz OOSNWAQKYJMSNV-DZGCQCFKSA-N 2 1 354.520 0.364 20 0 FCADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+]1CCSCC1 ZINC000151995124 488712581 /nfs/dbraw/zinc/71/25/81/488712581.db2.gz OOSNWAQKYJMSNV-DZGCQCFKSA-N 2 1 354.520 0.364 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274508875 488714995 /nfs/dbraw/zinc/71/49/95/488714995.db2.gz WEWDETJNJNRXJX-UHFFFAOYSA-N 2 1 350.463 0.160 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000274706822 488728758 /nfs/dbraw/zinc/72/87/58/488728758.db2.gz ZMDCPFUEWRFBFJ-UHFFFAOYSA-N 2 1 352.479 0.740 20 0 FCADMP COC1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]CC1 ZINC000153288336 488729458 /nfs/dbraw/zinc/72/94/58/488729458.db2.gz JWRQCGASXCHTHH-UHFFFAOYSA-N 2 1 367.412 0.868 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000154088992 488738400 /nfs/dbraw/zinc/73/84/00/488738400.db2.gz KGRNGQNAWVXZOT-UHFFFAOYSA-N 2 1 365.478 0.563 20 0 FCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136862 488762773 /nfs/dbraw/zinc/76/27/73/488762773.db2.gz WKYHCTRHVDKVPZ-ZACQAIPSSA-N 2 1 360.506 0.834 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000171305935 488821796 /nfs/dbraw/zinc/82/17/96/488821796.db2.gz PWXLWDXAZJJQKD-SCTDSRPQSA-N 2 1 355.523 0.501 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000171657179 488824950 /nfs/dbraw/zinc/82/49/50/488824950.db2.gz OKTLJEISBRDERH-UHFFFAOYSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000171898727 488828349 /nfs/dbraw/zinc/82/83/49/488828349.db2.gz NQWUGTNBXBHTNM-QGZVFWFLSA-N 2 1 356.511 0.347 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000173914554 488846190 /nfs/dbraw/zinc/84/61/90/488846190.db2.gz XJFWYFHRNZDSSE-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000173914554 488846191 /nfs/dbraw/zinc/84/61/91/488846191.db2.gz XJFWYFHRNZDSSE-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000175728703 488855196 /nfs/dbraw/zinc/85/51/96/488855196.db2.gz JUJLGUNPERJGDE-KRWDZBQOSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000176867999 488858875 /nfs/dbraw/zinc/85/88/75/488858875.db2.gz NISKTTNEYMIZOR-ZNMIVQPWSA-N 2 1 364.494 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000177853783 488859963 /nfs/dbraw/zinc/85/99/63/488859963.db2.gz ZZUZSDKIMXFOKV-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000177853783 488859964 /nfs/dbraw/zinc/85/99/64/488859964.db2.gz ZZUZSDKIMXFOKV-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC1 ZINC000288379728 488975805 /nfs/dbraw/zinc/97/58/05/488975805.db2.gz XOFOQXYBSPAVPN-UHFFFAOYSA-N 2 1 364.465 0.928 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000288379728 488975807 /nfs/dbraw/zinc/97/58/07/488975807.db2.gz XOFOQXYBSPAVPN-UHFFFAOYSA-N 2 1 364.465 0.928 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000288379728 488975810 /nfs/dbraw/zinc/97/58/10/488975810.db2.gz XOFOQXYBSPAVPN-UHFFFAOYSA-N 2 1 364.465 0.928 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329351937 488996158 /nfs/dbraw/zinc/99/61/58/488996158.db2.gz FNCZFBYTGIQMJA-KRWDZBQOSA-N 2 1 366.506 0.254 20 0 FCADMP CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329351937 488996160 /nfs/dbraw/zinc/99/61/60/488996160.db2.gz FNCZFBYTGIQMJA-KRWDZBQOSA-N 2 1 366.506 0.254 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(O)(C[NH3+])CC1 ZINC000563211059 491227815 /nfs/dbraw/zinc/22/78/15/491227815.db2.gz KADDIZFNZNMEAO-KRWDZBQOSA-N 2 1 374.529 0.941 20 0 FCADMP COc1ccc(-c2noc(CN3CC[NH+](CCOCC[NH3+])CC3)n2)cc1 ZINC000563215523 491227842 /nfs/dbraw/zinc/22/78/42/491227842.db2.gz QDINONVXPWGDEA-UHFFFAOYSA-N 2 1 361.446 0.838 20 0 FCADMP CNS(=O)(=O)NC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000329708329 489029182 /nfs/dbraw/zinc/02/91/82/489029182.db2.gz LADNJXTWSGXAAN-UHFFFAOYSA-N 2 1 364.475 0.594 20 0 FCADMP CCN1CC[NH+]([C@H]2CCN(Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000329752857 489033279 /nfs/dbraw/zinc/03/32/79/489033279.db2.gz JSNWXUPVFYVMSG-IBGZPJMESA-N 2 1 355.490 0.933 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000289075134 489039858 /nfs/dbraw/zinc/03/98/58/489039858.db2.gz OBWXLJVAHHQMNW-JHNDHUHGSA-N 2 1 359.474 0.892 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3C(=O)CCC3=O)CC2)CC1 ZINC000570295160 491231305 /nfs/dbraw/zinc/23/13/05/491231305.db2.gz ZBHBKTHVTRVNRG-UHFFFAOYSA-N 2 1 364.490 0.448 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 ZINC000281363122 489070260 /nfs/dbraw/zinc/07/02/60/489070260.db2.gz NZONSCPGQCZEMX-IXDOHACOSA-N 2 1 360.458 0.836 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 ZINC000281363122 489070264 /nfs/dbraw/zinc/07/02/64/489070264.db2.gz NZONSCPGQCZEMX-IXDOHACOSA-N 2 1 360.458 0.836 20 0 FCADMP CC[NH+]1CCC([N@H+](C)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000330145535 489073543 /nfs/dbraw/zinc/07/35/43/489073543.db2.gz HIZGTLNQNHHPJS-UHFFFAOYSA-N 2 1 360.506 0.931 20 0 FCADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000330145535 489073546 /nfs/dbraw/zinc/07/35/46/489073546.db2.gz HIZGTLNQNHHPJS-UHFFFAOYSA-N 2 1 360.506 0.931 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000365661135 489097474 /nfs/dbraw/zinc/09/74/74/489097474.db2.gz IZQFSAHNRHOAIN-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000365661135 489097477 /nfs/dbraw/zinc/09/74/77/489097477.db2.gz IZQFSAHNRHOAIN-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000365661135 489097479 /nfs/dbraw/zinc/09/74/79/489097479.db2.gz IZQFSAHNRHOAIN-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)CC[NH+](C)C ZINC000365661135 489097482 /nfs/dbraw/zinc/09/74/82/489097482.db2.gz IZQFSAHNRHOAIN-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CC[NH+](C)C ZINC000365661135 489097484 /nfs/dbraw/zinc/09/74/84/489097484.db2.gz IZQFSAHNRHOAIN-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000290021025 489109095 /nfs/dbraw/zinc/10/90/95/489109095.db2.gz CIHVCFPXZZQVTF-IAGOWNOFSA-N 2 1 360.506 0.739 20 0 FCADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000290053076 489110663 /nfs/dbraw/zinc/11/06/63/489110663.db2.gz VHJZGGHZBOWZAN-INIZCTEOSA-N 2 1 366.437 0.344 20 0 FCADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290065020 489111426 /nfs/dbraw/zinc/11/14/26/489111426.db2.gz VSXAHHHXFXKSKC-NVXWUHKLSA-N 2 1 362.474 0.594 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)CC1 ZINC000554952625 491234035 /nfs/dbraw/zinc/23/40/35/491234035.db2.gz USSJIABYLWAAMK-QGZVFWFLSA-N 2 1 363.502 0.751 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCO)C[C@@H](C)O)CC1 ZINC000554952625 491234036 /nfs/dbraw/zinc/23/40/36/491234036.db2.gz USSJIABYLWAAMK-QGZVFWFLSA-N 2 1 363.502 0.751 20 0 FCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000290218497 489122173 /nfs/dbraw/zinc/12/21/73/489122173.db2.gz SUWVVJOJLBJAHV-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP COC(=O)[C@@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032007 489137088 /nfs/dbraw/zinc/13/70/88/489137088.db2.gz ZEPYIKPYNUWBKS-ROUUACIJSA-N 2 1 356.463 0.773 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000290574842 489151021 /nfs/dbraw/zinc/15/10/21/489151021.db2.gz SCPGBOSHELMYKZ-WBVHZDCISA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)C2 ZINC000290574842 489151022 /nfs/dbraw/zinc/15/10/22/489151022.db2.gz SCPGBOSHELMYKZ-WBVHZDCISA-N 2 1 359.474 0.519 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000366166925 489153588 /nfs/dbraw/zinc/15/35/88/489153588.db2.gz CZJALXSTGHNITA-PKOBYXMFSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166925 489153590 /nfs/dbraw/zinc/15/35/90/489153590.db2.gz CZJALXSTGHNITA-PKOBYXMFSA-N 2 1 351.539 0.996 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000366166925 489153593 /nfs/dbraw/zinc/15/35/93/489153593.db2.gz CZJALXSTGHNITA-PKOBYXMFSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570382768 491237122 /nfs/dbraw/zinc/23/71/22/491237122.db2.gz FQJJDCFOIFMBIN-MRXNPFEDSA-N 2 1 359.474 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570382768 491237123 /nfs/dbraw/zinc/23/71/23/491237123.db2.gz FQJJDCFOIFMBIN-MRXNPFEDSA-N 2 1 359.474 0.334 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000331368186 489202005 /nfs/dbraw/zinc/20/20/05/489202005.db2.gz BWPJQIAWCLUDFK-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000331372558 489203222 /nfs/dbraw/zinc/20/32/22/489203222.db2.gz FFNQCWMKFPIYGA-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331390849 489205564 /nfs/dbraw/zinc/20/55/64/489205564.db2.gz JJVNCKQRQXQUNR-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000332934663 489248018 /nfs/dbraw/zinc/24/80/18/489248018.db2.gz VWSLRNSXEXEZDB-BBRMVZONSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000332934663 489248022 /nfs/dbraw/zinc/24/80/22/489248022.db2.gz VWSLRNSXEXEZDB-BBRMVZONSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000332970253 489252005 /nfs/dbraw/zinc/25/20/05/489252005.db2.gz XACZTDVMKHLCQX-PMPSAXMXSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000332970253 489252007 /nfs/dbraw/zinc/25/20/07/489252007.db2.gz XACZTDVMKHLCQX-PMPSAXMXSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000332970253 489252011 /nfs/dbraw/zinc/25/20/11/489252011.db2.gz XACZTDVMKHLCQX-PMPSAXMXSA-N 2 1 351.495 0.417 20 0 FCADMP COc1ccnc(N2CCN(C(=O)C(=O)NCCCn3ccnc3)CC2)c1 ZINC000283412168 489255857 /nfs/dbraw/zinc/25/58/57/489255857.db2.gz YUWUPSCLOOEILT-UHFFFAOYSA-N 2 1 372.429 0.142 20 0 FCADMP COCC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000369599068 489256205 /nfs/dbraw/zinc/25/62/05/489256205.db2.gz GTJWQRKMDNEEII-WMZOPIPTSA-N 2 1 368.522 0.401 20 0 FCADMP COCC(=O)N[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000369599068 489256208 /nfs/dbraw/zinc/25/62/08/489256208.db2.gz GTJWQRKMDNEEII-WMZOPIPTSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000369645809 489258709 /nfs/dbraw/zinc/25/87/09/489258709.db2.gz FFFBYPWAFKXVCR-QGZVFWFLSA-N 2 1 374.533 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000369645809 489258712 /nfs/dbraw/zinc/25/87/12/489258712.db2.gz FFFBYPWAFKXVCR-QGZVFWFLSA-N 2 1 374.533 0.914 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369669491 489261820 /nfs/dbraw/zinc/26/18/20/489261820.db2.gz AQAFDTJFGCINQU-UHFFFAOYSA-N 2 1 352.483 1.240 20 0 FCADMP C[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+](C2CC2)C1 ZINC000333982301 489264158 /nfs/dbraw/zinc/26/41/58/489264158.db2.gz CTWIHVOYNNSRGZ-OAHLLOKOSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+](C2CC2)C1 ZINC000333982301 489264161 /nfs/dbraw/zinc/26/41/61/489264161.db2.gz CTWIHVOYNNSRGZ-OAHLLOKOSA-N 2 1 365.522 0.665 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369789699 489276110 /nfs/dbraw/zinc/27/61/10/489276110.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369789699 489276112 /nfs/dbraw/zinc/27/61/12/489276112.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369789699 489276115 /nfs/dbraw/zinc/27/61/15/489276115.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369789699 489276119 /nfs/dbraw/zinc/27/61/19/489276119.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369789699 489276121 /nfs/dbraw/zinc/27/61/21/489276121.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000283579139 489277638 /nfs/dbraw/zinc/27/76/38/489277638.db2.gz UVQWOQBHDGMXCB-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000283579139 489277641 /nfs/dbraw/zinc/27/76/41/489277641.db2.gz UVQWOQBHDGMXCB-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000369818967 489279004 /nfs/dbraw/zinc/27/90/04/489279004.db2.gz KNAZXOZNRXVOPL-ZJPYXAASSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000369818967 489279008 /nfs/dbraw/zinc/27/90/08/489279008.db2.gz KNAZXOZNRXVOPL-ZJPYXAASSA-N 2 1 368.522 0.990 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370075993 489313959 /nfs/dbraw/zinc/31/39/59/489313959.db2.gz CWOKLWAJEMOTLA-WMZOPIPTSA-N 2 1 368.522 0.992 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370128117 489318661 /nfs/dbraw/zinc/31/86/61/489318661.db2.gz DINANQPESAKQIV-IXDOHACOSA-N 2 1 352.479 0.213 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000370468418 489362966 /nfs/dbraw/zinc/36/29/66/489362966.db2.gz ILRDDUPNYBKGCT-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000570583406 491251828 /nfs/dbraw/zinc/25/18/28/491251828.db2.gz GSSDUOIKYYNIPC-SJLPKXTDSA-N 2 1 360.502 0.876 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370727239 489393572 /nfs/dbraw/zinc/39/35/72/489393572.db2.gz UYGAOOYKLZPFQE-BRWVUGGUSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370727239 489393575 /nfs/dbraw/zinc/39/35/75/489393575.db2.gz UYGAOOYKLZPFQE-BRWVUGGUSA-N 2 1 363.506 0.561 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)cc2C1 ZINC000362933102 489406342 /nfs/dbraw/zinc/40/63/42/489406342.db2.gz SNOMGZVVELASKJ-IRXDYDNUSA-N 2 1 358.442 0.550 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)cc2C1 ZINC000362933102 489406343 /nfs/dbraw/zinc/40/63/43/489406343.db2.gz SNOMGZVVELASKJ-IRXDYDNUSA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2C1 ZINC000362933102 489406345 /nfs/dbraw/zinc/40/63/45/489406345.db2.gz SNOMGZVVELASKJ-IRXDYDNUSA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2C1 ZINC000362933102 489406346 /nfs/dbraw/zinc/40/63/46/489406346.db2.gz SNOMGZVVELASKJ-IRXDYDNUSA-N 2 1 358.442 0.550 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1C ZINC000286679723 489417195 /nfs/dbraw/zinc/41/71/95/489417195.db2.gz BLLQAMXLKRLWIO-AWEZNQCLSA-N 2 1 366.510 0.585 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1C ZINC000286679512 489417290 /nfs/dbraw/zinc/41/72/90/489417290.db2.gz BJONVQJVMCYOFP-QWHCGFSZSA-N 2 1 350.467 0.091 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)CC1 ZINC000363085542 489421935 /nfs/dbraw/zinc/42/19/35/489421935.db2.gz XSKLUHLJNOEEOP-AQNXPRMDSA-N 2 1 372.513 0.955 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)CC1 ZINC000363085542 489421937 /nfs/dbraw/zinc/42/19/37/489421937.db2.gz XSKLUHLJNOEEOP-AQNXPRMDSA-N 2 1 372.513 0.955 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286803254 489431467 /nfs/dbraw/zinc/43/14/67/489431467.db2.gz KIXYZZGCYXPVII-UHFFFAOYSA-N 2 1 364.494 0.437 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021576 489438851 /nfs/dbraw/zinc/43/88/51/489438851.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 2 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021576 489438854 /nfs/dbraw/zinc/43/88/54/489438854.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021576 489438855 /nfs/dbraw/zinc/43/88/55/489438855.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021576 489438859 /nfs/dbraw/zinc/43/88/59/489438859.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021576 489438861 /nfs/dbraw/zinc/43/88/61/489438861.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021149 489438927 /nfs/dbraw/zinc/43/89/27/489438927.db2.gz XQHUVNWAPVDDRL-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021149 489438931 /nfs/dbraw/zinc/43/89/31/489438931.db2.gz XQHUVNWAPVDDRL-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021149 489438935 /nfs/dbraw/zinc/43/89/35/489438935.db2.gz XQHUVNWAPVDDRL-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363220628 489440763 /nfs/dbraw/zinc/44/07/63/489440763.db2.gz FQYKNUDSNLLQFB-GOSISDBHSA-N 2 1 367.538 0.568 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371027659 489440772 /nfs/dbraw/zinc/44/07/72/489440772.db2.gz JRALXNSLZCGDEU-SFHVURJKSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000371195045 489464888 /nfs/dbraw/zinc/46/48/88/489464888.db2.gz HZFSWVMHAXSHSU-OAGGEKHMSA-N 2 1 361.490 0.787 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000371195045 489464891 /nfs/dbraw/zinc/46/48/91/489464891.db2.gz HZFSWVMHAXSHSU-OAGGEKHMSA-N 2 1 361.490 0.787 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1C ZINC000287164245 489466665 /nfs/dbraw/zinc/46/66/65/489466665.db2.gz ZCHQYTRFASWRHK-ZFWWWQNUSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1C ZINC000287164245 489466668 /nfs/dbraw/zinc/46/66/68/489466668.db2.gz ZCHQYTRFASWRHK-ZFWWWQNUSA-N 2 1 362.478 0.045 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cn2)CC1 ZINC000371324994 489477332 /nfs/dbraw/zinc/47/73/32/489477332.db2.gz BIUFSBCBNZXARD-MSOLQXFVSA-N 2 1 360.506 0.259 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000371630552 489491313 /nfs/dbraw/zinc/49/13/13/489491313.db2.gz VDETVQMZIYFCOW-RTBURBONSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371630552 489491314 /nfs/dbraw/zinc/49/13/14/489491314.db2.gz VDETVQMZIYFCOW-RTBURBONSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371630552 489491315 /nfs/dbraw/zinc/49/13/15/489491315.db2.gz VDETVQMZIYFCOW-RTBURBONSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423113735 489494055 /nfs/dbraw/zinc/49/40/55/489494055.db2.gz LBCHXYHNLRENPP-GASCZTMLSA-N 2 1 362.499 0.113 20 0 FCADMP O=C(CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000563595721 491257115 /nfs/dbraw/zinc/25/71/15/491257115.db2.gz SFJQLMUJJCPBGS-HDICACEKSA-N 2 1 371.485 0.192 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000570679763 491257125 /nfs/dbraw/zinc/25/71/25/491257125.db2.gz XWYFRPGDZGURSQ-GDBMZVCRSA-N 2 1 362.478 0.125 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423126661 489495527 /nfs/dbraw/zinc/49/55/27/489495527.db2.gz SDRIAPSINISGPU-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423126660 489495624 /nfs/dbraw/zinc/49/56/24/489495624.db2.gz SDRIAPSINISGPU-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423149120 489497633 /nfs/dbraw/zinc/49/76/33/489497633.db2.gz XCRWLCBAGUCDBK-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423160774 489498239 /nfs/dbraw/zinc/49/82/39/489498239.db2.gz HVGQMIDMYBMYST-ROUUACIJSA-N 2 1 373.501 0.702 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423170279 489498857 /nfs/dbraw/zinc/49/88/57/489498857.db2.gz XRQBEHOMVBJRTN-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423170281 489498869 /nfs/dbraw/zinc/49/88/69/489498869.db2.gz XRQBEHOMVBJRTN-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423171160 489499667 /nfs/dbraw/zinc/49/96/67/489499667.db2.gz ZNVIWNFFYCIDDJ-AEFFLSMTSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423207127 489502577 /nfs/dbraw/zinc/50/25/77/489502577.db2.gz RBXPAQATIOHNHO-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1CC ZINC000423278387 489510648 /nfs/dbraw/zinc/51/06/48/489510648.db2.gz PUGDPVJAWHESLL-BBWFWOEESA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1CC ZINC000423278387 489510651 /nfs/dbraw/zinc/51/06/51/489510651.db2.gz PUGDPVJAWHESLL-BBWFWOEESA-N 2 1 366.506 0.014 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423287994 489512090 /nfs/dbraw/zinc/51/20/90/489512090.db2.gz PVNRNUMKVJHUKV-GVDBMIGSSA-N 2 1 373.501 0.787 20 0 FCADMP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000451659704 489514563 /nfs/dbraw/zinc/51/45/63/489514563.db2.gz FOUNPNVUGSSERU-SCTDSRPQSA-N 2 1 362.518 0.792 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000415378309 489516535 /nfs/dbraw/zinc/51/65/35/489516535.db2.gz MYSPIVQVTHIFGS-WMLDXEAASA-N 2 1 360.458 0.887 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)C1 ZINC000451719678 489519668 /nfs/dbraw/zinc/51/96/68/489519668.db2.gz XEXAGARAQRVGCZ-YDZRNGNQSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)C1 ZINC000451719678 489519671 /nfs/dbraw/zinc/51/96/71/489519671.db2.gz XEXAGARAQRVGCZ-YDZRNGNQSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)C1 ZINC000451719678 489519674 /nfs/dbraw/zinc/51/96/74/489519674.db2.gz XEXAGARAQRVGCZ-YDZRNGNQSA-N 2 1 367.534 0.942 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000415442917 489521534 /nfs/dbraw/zinc/52/15/34/489521534.db2.gz GLGUCVONLVSZNT-QAPCUYQASA-N 2 1 374.485 0.696 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000415542511 489527677 /nfs/dbraw/zinc/52/76/77/489527677.db2.gz AUFFGZQUUQYGDW-HUUCEWRRSA-N 2 1 362.474 0.912 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415656979 489540320 /nfs/dbraw/zinc/54/03/20/489540320.db2.gz UNEGUSDXAYMTHQ-SJLPKXTDSA-N 2 1 374.485 0.886 20 0 FCADMP CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115311 489546099 /nfs/dbraw/zinc/54/60/99/489546099.db2.gz GGACYDZBNIUXTL-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748341 491261828 /nfs/dbraw/zinc/26/18/28/491261828.db2.gz AFFWPPHMCFCZBA-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000415756596 489550709 /nfs/dbraw/zinc/55/07/09/489550709.db2.gz DVSJZINNHUMVGJ-CSININELSA-N 2 1 372.469 0.568 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000415756596 489550711 /nfs/dbraw/zinc/55/07/11/489550711.db2.gz DVSJZINNHUMVGJ-CSININELSA-N 2 1 372.469 0.568 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005747 489567485 /nfs/dbraw/zinc/56/74/85/489567485.db2.gz KDVDBUWGUQIRRH-MNOVXSKESA-N 2 1 354.373 0.545 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005279 489567271 /nfs/dbraw/zinc/56/72/71/489567271.db2.gz JMHZBSYIXHFZHN-OLZOCXBDSA-N 2 1 353.433 0.839 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426551284 489574370 /nfs/dbraw/zinc/57/43/70/489574370.db2.gz YWRTURINGRRMBF-IAGOWNOFSA-N 2 1 354.495 0.386 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786004 491264508 /nfs/dbraw/zinc/26/45/08/491264508.db2.gz REYOBOXEXUUJON-KGLIPLIRSA-N 2 1 365.444 0.947 20 0 FCADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399054 489580930 /nfs/dbraw/zinc/58/09/30/489580930.db2.gz ARESXVPGHZAVGT-AEFFLSMTSA-N 2 1 352.523 0.535 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000555673770 491265045 /nfs/dbraw/zinc/26/50/45/491265045.db2.gz VEMWDDYBRXRDHB-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000555673770 491265047 /nfs/dbraw/zinc/26/50/47/491265047.db2.gz VEMWDDYBRXRDHB-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000455334762 489589952 /nfs/dbraw/zinc/58/99/52/489589952.db2.gz OHLVQRQQAAETIO-UHFFFAOYSA-N 2 1 365.526 1.155 20 0 FCADMP CN(CCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)CC[NH+](C)C ZINC000455334762 489589955 /nfs/dbraw/zinc/58/99/55/489589955.db2.gz OHLVQRQQAAETIO-UHFFFAOYSA-N 2 1 365.526 1.155 20 0 FCADMP O=C(CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000372509966 489592283 /nfs/dbraw/zinc/59/22/83/489592283.db2.gz ZPFYSGDBWRKTNB-XLIONFOSSA-N 2 1 356.470 0.447 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000555673769 491265254 /nfs/dbraw/zinc/26/52/54/491265254.db2.gz VEMWDDYBRXRDHB-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000555673769 491265256 /nfs/dbraw/zinc/26/52/56/491265256.db2.gz VEMWDDYBRXRDHB-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000427322546 489602622 /nfs/dbraw/zinc/60/26/22/489602622.db2.gz UCPXWRPDINVSKV-QGZVFWFLSA-N 2 1 374.485 0.963 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000563728676 491266090 /nfs/dbraw/zinc/26/60/90/491266090.db2.gz ADYGYJMUXRAAAJ-WMZOPIPTSA-N 2 1 358.486 0.628 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)CCCCC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000427783074 489620834 /nfs/dbraw/zinc/62/08/34/489620834.db2.gz PHCREUUPZBKGSW-USTZCAOPSA-N 2 1 362.518 0.587 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000563763568 491267452 /nfs/dbraw/zinc/26/74/52/491267452.db2.gz VNHLWMDANJDQNC-CTNGQTDRSA-N 2 1 373.497 0.850 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000563763568 491267454 /nfs/dbraw/zinc/26/74/54/491267454.db2.gz VNHLWMDANJDQNC-CTNGQTDRSA-N 2 1 373.497 0.850 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416946579 489635316 /nfs/dbraw/zinc/63/53/16/489635316.db2.gz FYTJKUUHFUNRCL-IRXDYDNUSA-N 2 1 356.511 0.883 20 0 FCADMP COC[C@@]1(CNC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000416957894 489635894 /nfs/dbraw/zinc/63/58/94/489635894.db2.gz OKSBEKJBZSRSDP-WMZOPIPTSA-N 2 1 355.527 0.326 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417051674 489639837 /nfs/dbraw/zinc/63/98/37/489639837.db2.gz ONQVVAPPDXQQTR-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417185628 489644700 /nfs/dbraw/zinc/64/47/00/489644700.db2.gz RRYPVTLXSIONDW-UHFFFAOYSA-N 2 1 361.490 0.223 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853744 489644699 /nfs/dbraw/zinc/64/46/99/489644699.db2.gz AXYAWXMZJKHWLR-ZWKOTPCHSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853744 489644701 /nfs/dbraw/zinc/64/47/01/489644701.db2.gz AXYAWXMZJKHWLR-ZWKOTPCHSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000372853744 489644704 /nfs/dbraw/zinc/64/47/04/489644704.db2.gz AXYAWXMZJKHWLR-ZWKOTPCHSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000372853744 489644708 /nfs/dbraw/zinc/64/47/08/489644708.db2.gz AXYAWXMZJKHWLR-ZWKOTPCHSA-N 2 1 371.485 0.465 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417219776 489645082 /nfs/dbraw/zinc/64/50/82/489645082.db2.gz WPEXEXJTEZOHMR-UXLLHSPISA-N 2 1 351.495 0.417 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000555729986 491268590 /nfs/dbraw/zinc/26/85/90/491268590.db2.gz BGBLJAYEWOKOJG-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000555729986 491268591 /nfs/dbraw/zinc/26/85/91/491268591.db2.gz BGBLJAYEWOKOJG-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000555729986 491268592 /nfs/dbraw/zinc/26/85/92/491268592.db2.gz BGBLJAYEWOKOJG-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570840031 491268682 /nfs/dbraw/zinc/26/86/82/491268682.db2.gz RMPDYDXUNRSDSY-JCGIZDLHSA-N 2 1 358.486 0.998 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587748 489649816 /nfs/dbraw/zinc/64/98/16/489649816.db2.gz BTZHVGRGZRJABX-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587748 489649819 /nfs/dbraw/zinc/64/98/19/489649819.db2.gz BTZHVGRGZRJABX-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417377780 489650375 /nfs/dbraw/zinc/65/03/75/489650375.db2.gz DOTRRKBQOWKUCI-IBGZPJMESA-N 2 1 360.506 0.974 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000417387739 489651045 /nfs/dbraw/zinc/65/10/45/489651045.db2.gz HALAREQXSDUYNJ-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)N1CCOCC1 ZINC000457618309 489651480 /nfs/dbraw/zinc/65/14/80/489651480.db2.gz ZWEXKCJZCPKYNM-IAGOWNOFSA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)N1CCOCC1 ZINC000457618309 489651484 /nfs/dbraw/zinc/65/14/84/489651484.db2.gz ZWEXKCJZCPKYNM-IAGOWNOFSA-N 2 1 356.511 0.441 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000457614652 489651842 /nfs/dbraw/zinc/65/18/42/489651842.db2.gz XDTHZYQQFFKVMT-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457614652 489651849 /nfs/dbraw/zinc/65/18/49/489651849.db2.gz XDTHZYQQFFKVMT-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000428521494 489651965 /nfs/dbraw/zinc/65/19/65/489651965.db2.gz WIWGAZYXIKPTBN-OAHLLOKOSA-N 2 1 354.476 0.737 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417430766 489652663 /nfs/dbraw/zinc/65/26/63/489652663.db2.gz PVWJQFDIGCZKGY-HRCADAONSA-N 2 1 353.511 0.840 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000417460621 489654975 /nfs/dbraw/zinc/65/49/75/489654975.db2.gz RCFIQQXOQUBHPJ-MRXNPFEDSA-N 2 1 350.463 0.886 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417519127 489656688 /nfs/dbraw/zinc/65/66/88/489656688.db2.gz ULFMMZNJRTUYKH-BZSNNMDCSA-N 2 1 364.490 0.576 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000417648713 489660094 /nfs/dbraw/zinc/66/00/94/489660094.db2.gz OTICMQJQVKIXBV-QGZVFWFLSA-N 2 1 369.554 0.454 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417674512 489660885 /nfs/dbraw/zinc/66/08/85/489660885.db2.gz ZPWCPLSFQCUAEI-IAGOWNOFSA-N 2 1 355.527 0.328 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417807650 489666495 /nfs/dbraw/zinc/66/64/95/489666495.db2.gz DGXZYLYJDCKYLD-WBVHZDCISA-N 2 1 353.511 0.664 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418001183 489674724 /nfs/dbraw/zinc/67/47/24/489674724.db2.gz WLWBJXLQGBWVBH-QGZVFWFLSA-N 2 1 350.463 0.288 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067974 489677415 /nfs/dbraw/zinc/67/74/15/489677415.db2.gz CONHRLGJFIOEHY-MSOLQXFVSA-N 2 1 362.474 0.647 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000458390511 489680519 /nfs/dbraw/zinc/68/05/19/489680519.db2.gz IDRMTJJKISBJGP-GOSISDBHSA-N 2 1 369.554 0.502 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433293 489682562 /nfs/dbraw/zinc/68/25/62/489682562.db2.gz IYGBASUTYMPXNW-IRXDYDNUSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433293 489682563 /nfs/dbraw/zinc/68/25/63/489682563.db2.gz IYGBASUTYMPXNW-IRXDYDNUSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433293 489682564 /nfs/dbraw/zinc/68/25/64/489682564.db2.gz IYGBASUTYMPXNW-IRXDYDNUSA-N 2 1 351.539 0.996 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1CC(N(C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)C2 ZINC000458445610 489684562 /nfs/dbraw/zinc/68/45/62/489684562.db2.gz VEEKVVLIIGZHGV-HRBLRVMOSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000458445610 489684563 /nfs/dbraw/zinc/68/45/63/489684563.db2.gz VEEKVVLIIGZHGV-HRBLRVMOSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000458445610 489684565 /nfs/dbraw/zinc/68/45/65/489684565.db2.gz VEEKVVLIIGZHGV-HRBLRVMOSA-N 2 1 368.522 0.990 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448333 489684620 /nfs/dbraw/zinc/68/46/20/489684620.db2.gz XTYFKDQGVSEHDB-LPHOPBHVSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448333 489684622 /nfs/dbraw/zinc/68/46/22/489684622.db2.gz XTYFKDQGVSEHDB-LPHOPBHVSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448333 489684625 /nfs/dbraw/zinc/68/46/25/489684625.db2.gz XTYFKDQGVSEHDB-LPHOPBHVSA-N 2 1 365.522 0.701 20 0 FCADMP CCC[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000418303641 489690210 /nfs/dbraw/zinc/69/02/10/489690210.db2.gz WFDOPHITSDRADZ-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP CC[NH2+]CCNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418326136 489691573 /nfs/dbraw/zinc/69/15/73/489691573.db2.gz NFERTOXSNYDXJX-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP CC[NH2+]CCNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418326136 489691577 /nfs/dbraw/zinc/69/15/77/489691577.db2.gz NFERTOXSNYDXJX-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418444526 489698817 /nfs/dbraw/zinc/69/88/17/489698817.db2.gz MKABYEIVSRDKFU-MRXNPFEDSA-N 2 1 353.511 0.938 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418447863 489699336 /nfs/dbraw/zinc/69/93/36/489699336.db2.gz PXQQUFROVGNSQN-QZTJIDSGSA-N 2 1 369.554 0.940 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000563864020 491273628 /nfs/dbraw/zinc/27/36/28/491273628.db2.gz FRFVMSXJDZWAPH-IXDOHACOSA-N 2 1 358.442 0.804 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000430105754 489720339 /nfs/dbraw/zinc/72/03/39/489720339.db2.gz PXQAGSULXJEUHV-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000430105754 489720345 /nfs/dbraw/zinc/72/03/45/489720345.db2.gz PXQAGSULXJEUHV-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000430105754 489720350 /nfs/dbraw/zinc/72/03/50/489720350.db2.gz PXQAGSULXJEUHV-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(F)F ZINC000418746652 489721253 /nfs/dbraw/zinc/72/12/53/489721253.db2.gz XWXJTBMTZSIIHK-KFWWJZLASA-N 2 1 356.417 0.904 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459277766 489725082 /nfs/dbraw/zinc/72/50/82/489725082.db2.gz AYUCNSPURMVFCB-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000459277766 489725085 /nfs/dbraw/zinc/72/50/85/489725085.db2.gz AYUCNSPURMVFCB-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000459277766 489725091 /nfs/dbraw/zinc/72/50/91/489725091.db2.gz AYUCNSPURMVFCB-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459277766 489725095 /nfs/dbraw/zinc/72/50/95/489725095.db2.gz AYUCNSPURMVFCB-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459277766 489725100 /nfs/dbraw/zinc/72/51/00/489725100.db2.gz AYUCNSPURMVFCB-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000570928730 491274315 /nfs/dbraw/zinc/27/43/15/491274315.db2.gz NUQRROTYEBDMTB-DLBZAZTESA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H]1NC(=O)N(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000459353228 489729309 /nfs/dbraw/zinc/72/93/09/489729309.db2.gz RENAUIQRGSGMLW-QGZVFWFLSA-N 2 1 373.501 0.676 20 0 FCADMP C[C@H]1NC(=O)N(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000459353228 489729317 /nfs/dbraw/zinc/72/93/17/489729317.db2.gz RENAUIQRGSGMLW-QGZVFWFLSA-N 2 1 373.501 0.676 20 0 FCADMP CON1CCC([NH+](C)CCOCC[N@H+](C)C2CCN(OC)CC2)CC1 ZINC000459586106 489739853 /nfs/dbraw/zinc/73/98/53/489739853.db2.gz XMXNOWLMYBUPTJ-UHFFFAOYSA-N 2 1 358.527 0.918 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418825659 489741690 /nfs/dbraw/zinc/74/16/90/489741690.db2.gz AOJXSRCOKMLZRI-GOEBONIOSA-N 2 1 362.474 0.530 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418829368 489742402 /nfs/dbraw/zinc/74/24/02/489742402.db2.gz IOPSDYBYKKSRNU-DZGCQCFKSA-N 2 1 350.463 0.893 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418827827 489742624 /nfs/dbraw/zinc/74/26/24/489742624.db2.gz HGLBBZACNFELGO-HOTGVXAUSA-N 2 1 366.506 0.333 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000418830232 489742979 /nfs/dbraw/zinc/74/29/79/489742979.db2.gz FPUICZMZZKENNN-BPUTZDHNSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000418829531 489743200 /nfs/dbraw/zinc/74/32/00/489743200.db2.gz HCGQUCRMUFACJB-OAGGEKHMSA-N 2 1 362.474 0.976 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418834535 489745543 /nfs/dbraw/zinc/74/55/43/489745543.db2.gz MGSRGRDEDOXDSB-PMPSAXMXSA-N 2 1 360.458 0.886 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418833996 489745988 /nfs/dbraw/zinc/74/59/88/489745988.db2.gz LNKHYUOEXWQNSX-HRCADAONSA-N 2 1 360.458 0.601 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680284 489746679 /nfs/dbraw/zinc/74/66/79/489746679.db2.gz CTHBLFLEVNJNBC-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680284 489746683 /nfs/dbraw/zinc/74/66/83/489746683.db2.gz CTHBLFLEVNJNBC-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680284 489746689 /nfs/dbraw/zinc/74/66/89/489746689.db2.gz CTHBLFLEVNJNBC-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC000459680284 489746694 /nfs/dbraw/zinc/74/66/94/489746694.db2.gz CTHBLFLEVNJNBC-RBUKOAKNSA-N 2 1 361.486 0.314 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000418835974 489747066 /nfs/dbraw/zinc/74/70/66/489747066.db2.gz QPKPMMXXWUIXIL-HNNXBMFYSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430594744 489749395 /nfs/dbraw/zinc/74/93/95/489749395.db2.gz SGALDAUXWXCOOP-ZDUSSCGKSA-N 2 1 370.519 0.298 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430594744 489749398 /nfs/dbraw/zinc/74/93/98/489749398.db2.gz SGALDAUXWXCOOP-ZDUSSCGKSA-N 2 1 370.519 0.298 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000418839657 489750312 /nfs/dbraw/zinc/75/03/12/489750312.db2.gz DHLBAGBRWRUURE-FCGDIQPGSA-N 2 1 370.497 0.963 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cccs1 ZINC000430600128 489750753 /nfs/dbraw/zinc/75/07/53/489750753.db2.gz ADEJQTAYYGIFSK-AWEZNQCLSA-N 2 1 350.488 0.508 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cccs1 ZINC000430600128 489750758 /nfs/dbraw/zinc/75/07/58/489750758.db2.gz ADEJQTAYYGIFSK-AWEZNQCLSA-N 2 1 350.488 0.508 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000430599893 489750816 /nfs/dbraw/zinc/75/08/16/489750816.db2.gz GSYXKNNOROJULF-CYBMUJFWSA-N 2 1 373.413 0.752 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000430599893 489750820 /nfs/dbraw/zinc/75/08/20/489750820.db2.gz GSYXKNNOROJULF-CYBMUJFWSA-N 2 1 373.413 0.752 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418841441 489751452 /nfs/dbraw/zinc/75/14/52/489751452.db2.gz YYNZUXWAHXPVDO-UHFFFAOYSA-N 2 1 354.495 0.254 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474297484 489751855 /nfs/dbraw/zinc/75/18/55/489751855.db2.gz DGGNJHHQGRSGLX-GOSISDBHSA-N 2 1 358.486 0.692 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418842040 489752146 /nfs/dbraw/zinc/75/21/46/489752146.db2.gz HEFGVFZFFFGQQL-GOSISDBHSA-N 2 1 356.470 0.803 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000418849773 489755916 /nfs/dbraw/zinc/75/59/16/489755916.db2.gz NGKWQVPILHSOMV-LZWOXQAQSA-N 2 1 362.474 0.610 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430619821 489756039 /nfs/dbraw/zinc/75/60/39/489756039.db2.gz BKMZRRCDCPIBMH-MRXNPFEDSA-N 2 1 368.522 0.629 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430619815 489756228 /nfs/dbraw/zinc/75/62/28/489756228.db2.gz BKMZRRCDCPIBMH-INIZCTEOSA-N 2 1 368.522 0.629 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000430624373 489756391 /nfs/dbraw/zinc/75/63/91/489756391.db2.gz IALZVGSOVRRWLQ-OAHLLOKOSA-N 2 1 353.488 0.637 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000430624373 489756393 /nfs/dbraw/zinc/75/63/93/489756393.db2.gz IALZVGSOVRRWLQ-OAHLLOKOSA-N 2 1 353.488 0.637 20 0 FCADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624233 489756533 /nfs/dbraw/zinc/75/65/33/489756533.db2.gz OFKXAUBYTYLFKK-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc21 ZINC000430621244 489756626 /nfs/dbraw/zinc/75/66/26/489756626.db2.gz CMWXMZDLYZPNBV-QGZVFWFLSA-N 2 1 356.470 0.720 20 0 FCADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620863 489756784 /nfs/dbraw/zinc/75/67/84/489756784.db2.gz IKIQKWQGZQREMQ-GOEBONIOSA-N 2 1 364.465 0.960 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC([NH3+])CC1 ZINC000430627003 489757326 /nfs/dbraw/zinc/75/73/26/489757326.db2.gz LQGJDMOGPYMHMH-INIZCTEOSA-N 2 1 360.502 0.947 20 0 FCADMP COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430627793 489757561 /nfs/dbraw/zinc/75/75/61/489757561.db2.gz NOXVSWXYPYFWNB-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP COc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430627793 489757565 /nfs/dbraw/zinc/75/75/65/489757565.db2.gz NOXVSWXYPYFWNB-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625698 489757688 /nfs/dbraw/zinc/75/76/88/489757688.db2.gz KZAORBJKDZBFTR-IBGZPJMESA-N 2 1 372.513 0.798 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000418855526 489759497 /nfs/dbraw/zinc/75/94/97/489759497.db2.gz UWMFMPRAOUNVOD-LZWOXQAQSA-N 2 1 362.474 0.623 20 0 FCADMP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430640808 489760355 /nfs/dbraw/zinc/76/03/55/489760355.db2.gz HZGYMVFKBGRLPB-HUUCEWRRSA-N 2 1 362.474 0.659 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418859767 489761143 /nfs/dbraw/zinc/76/11/43/489761143.db2.gz KTPNLTGVRGVCSW-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418861142 489762227 /nfs/dbraw/zinc/76/22/27/489762227.db2.gz MQTJVJYTGRMFEH-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430651258 489762469 /nfs/dbraw/zinc/76/24/69/489762469.db2.gz LHHKBJYTMMGTRD-QGZVFWFLSA-N 2 1 374.485 0.455 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000430726555 489767928 /nfs/dbraw/zinc/76/79/28/489767928.db2.gz VIZOQFPWQFBVLE-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871085 489768237 /nfs/dbraw/zinc/76/82/37/489768237.db2.gz ZLHRPUUOXZOWMF-XLIONFOSSA-N 2 1 358.486 0.883 20 0 FCADMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418876039 489769841 /nfs/dbraw/zinc/76/98/41/489769841.db2.gz FRQJNRWWDZVTHZ-ROUUACIJSA-N 2 1 374.485 0.944 20 0 FCADMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418876039 489769843 /nfs/dbraw/zinc/76/98/43/489769843.db2.gz FRQJNRWWDZVTHZ-ROUUACIJSA-N 2 1 374.485 0.944 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000459858923 489771738 /nfs/dbraw/zinc/77/17/38/489771738.db2.gz FHEHEEJFMHFFSM-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000459858923 489771739 /nfs/dbraw/zinc/77/17/39/489771739.db2.gz FHEHEEJFMHFFSM-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000430877349 489774194 /nfs/dbraw/zinc/77/41/94/489774194.db2.gz XADZRICQWUIWBU-WBVHZDCISA-N 2 1 362.474 0.754 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000430877349 489774199 /nfs/dbraw/zinc/77/41/99/489774199.db2.gz XADZRICQWUIWBU-WBVHZDCISA-N 2 1 362.474 0.754 20 0 FCADMP COCC[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878370 489774301 /nfs/dbraw/zinc/77/43/01/489774301.db2.gz NWBVKOQNPRSUAC-CRAIPNDOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000430966593 489782487 /nfs/dbraw/zinc/78/24/87/489782487.db2.gz PANLLTMNPZGTBH-HZPDHXFCSA-N 2 1 350.507 0.764 20 0 FCADMP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000430966593 489782492 /nfs/dbraw/zinc/78/24/92/489782492.db2.gz PANLLTMNPZGTBH-HZPDHXFCSA-N 2 1 350.507 0.764 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894671 489783829 /nfs/dbraw/zinc/78/38/29/489783829.db2.gz IRJXHCQFHHXCQF-RTBURBONSA-N 2 1 372.513 0.987 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)CC1 ZINC000459918043 489791854 /nfs/dbraw/zinc/79/18/54/489791854.db2.gz HYKJLXWIAYGYCC-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000459918043 489791858 /nfs/dbraw/zinc/79/18/58/489791858.db2.gz HYKJLXWIAYGYCC-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000459918041 489792437 /nfs/dbraw/zinc/79/24/37/489792437.db2.gz HYKJLXWIAYGYCC-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000459918041 489792445 /nfs/dbraw/zinc/79/24/45/489792445.db2.gz HYKJLXWIAYGYCC-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000459920169 489793253 /nfs/dbraw/zinc/79/32/53/489793253.db2.gz MVEDZTSSQWDJMD-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491133203 489795959 /nfs/dbraw/zinc/79/59/59/489795959.db2.gz JYMAERASTSVTBQ-QGZVFWFLSA-N 2 1 363.506 0.931 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418987999 489811562 /nfs/dbraw/zinc/81/15/62/489811562.db2.gz RAWLNEUTCNWOFI-DOTOQJQBSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000460016337 489818695 /nfs/dbraw/zinc/81/86/95/489818695.db2.gz KBYVRHCXAOYGNA-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419032478 489826737 /nfs/dbraw/zinc/82/67/37/489826737.db2.gz WSLLEYCRXWPPQK-VVLHAWIVSA-N 2 1 352.523 0.975 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000419036371 489828133 /nfs/dbraw/zinc/82/81/33/489828133.db2.gz GJINSWXKEKBSTA-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000419036370 489828628 /nfs/dbraw/zinc/82/86/28/489828628.db2.gz GJINSWXKEKBSTA-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419036012 489828676 /nfs/dbraw/zinc/82/86/76/489828676.db2.gz GALZTVNEBYNHAW-NCOADZHNSA-N 2 1 368.522 0.448 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000419045984 489833180 /nfs/dbraw/zinc/83/31/80/489833180.db2.gz WZTPNJWLGVVXMS-XHSDSOJGSA-N 2 1 356.511 0.339 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000460055261 489835820 /nfs/dbraw/zinc/83/58/20/489835820.db2.gz FXWYALPCZIOSNZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419057928 489838428 /nfs/dbraw/zinc/83/84/28/489838428.db2.gz ASEKFUIUYRCKNC-QKPAOTATSA-N 2 1 368.522 0.719 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419057928 489838430 /nfs/dbraw/zinc/83/84/30/489838430.db2.gz ASEKFUIUYRCKNC-QKPAOTATSA-N 2 1 368.522 0.719 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000460065942 489840205 /nfs/dbraw/zinc/84/02/05/489840205.db2.gz RPQMNUDFAWQMSL-OWCLPIDISA-N 2 1 368.522 0.089 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000460065942 489840209 /nfs/dbraw/zinc/84/02/09/489840209.db2.gz RPQMNUDFAWQMSL-OWCLPIDISA-N 2 1 368.522 0.089 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419065968 489842163 /nfs/dbraw/zinc/84/21/63/489842163.db2.gz DSZDDVIXRFEJFE-MAUKXSAKSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419065968 489842168 /nfs/dbraw/zinc/84/21/68/489842168.db2.gz DSZDDVIXRFEJFE-MAUKXSAKSA-N 2 1 374.485 0.473 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419072258 489845108 /nfs/dbraw/zinc/84/51/08/489845108.db2.gz BFJXXKYEOBKHST-INIZCTEOSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551380 489847252 /nfs/dbraw/zinc/84/72/52/489847252.db2.gz DVFYTWLHHGYPQK-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000460084188 489847305 /nfs/dbraw/zinc/84/73/05/489847305.db2.gz UENKCJOGAZCAFA-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084188 489847309 /nfs/dbraw/zinc/84/73/09/489847309.db2.gz UENKCJOGAZCAFA-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000460084188 489847313 /nfs/dbraw/zinc/84/73/13/489847313.db2.gz UENKCJOGAZCAFA-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419080524 489848733 /nfs/dbraw/zinc/84/87/33/489848733.db2.gz XFGLUKZPOZTZDE-OAHLLOKOSA-N 2 1 362.474 0.249 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419080524 489848736 /nfs/dbraw/zinc/84/87/36/489848736.db2.gz XFGLUKZPOZTZDE-OAHLLOKOSA-N 2 1 362.474 0.249 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000377096278 489851141 /nfs/dbraw/zinc/85/11/41/489851141.db2.gz YZYXFMRDGVKBQW-INIZCTEOSA-N 2 1 368.522 0.992 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000564002774 491283072 /nfs/dbraw/zinc/28/30/72/491283072.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000564002774 491283074 /nfs/dbraw/zinc/28/30/74/491283074.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000564002774 491283076 /nfs/dbraw/zinc/28/30/76/491283076.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000564002774 491283078 /nfs/dbraw/zinc/28/30/78/491283078.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000564002774 491283080 /nfs/dbraw/zinc/28/30/80/491283080.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419091133 489852216 /nfs/dbraw/zinc/85/22/16/489852216.db2.gz VTGNLARYPPSEEV-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419094013 489853224 /nfs/dbraw/zinc/85/32/24/489853224.db2.gz ZARPNUWCEZQQRD-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419094013 489853226 /nfs/dbraw/zinc/85/32/26/489853226.db2.gz ZARPNUWCEZQQRD-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419099106 489855098 /nfs/dbraw/zinc/85/50/98/489855098.db2.gz DKCWFLXGPCIBDE-DLBZAZTESA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000460251340 489858272 /nfs/dbraw/zinc/85/82/72/489858272.db2.gz CRCAGWTUWAZCKO-GOSISDBHSA-N 2 1 350.463 0.493 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261786 489859451 /nfs/dbraw/zinc/85/94/51/489859451.db2.gz RQJXEAHFOBLYRW-UYAOXDASSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261786 489859455 /nfs/dbraw/zinc/85/94/55/489859455.db2.gz RQJXEAHFOBLYRW-UYAOXDASSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261786 489859459 /nfs/dbraw/zinc/85/94/59/489859459.db2.gz RQJXEAHFOBLYRW-UYAOXDASSA-N 2 1 360.502 0.917 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000419115494 489861320 /nfs/dbraw/zinc/86/13/20/489861320.db2.gz JRGMAKLNWQQLHP-HNNXBMFYSA-N 2 1 354.495 0.237 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419115420 489861492 /nfs/dbraw/zinc/86/14/92/489861492.db2.gz JNSQGIYGSUMOCQ-CVEARBPZSA-N 2 1 354.495 0.093 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000419982228 489872210 /nfs/dbraw/zinc/87/22/10/489872210.db2.gz AXYRHULTBIHXJN-HNNXBMFYSA-N 2 1 362.474 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000419982228 489872216 /nfs/dbraw/zinc/87/22/16/489872216.db2.gz AXYRHULTBIHXJN-HNNXBMFYSA-N 2 1 362.474 0.583 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000433373818 489879700 /nfs/dbraw/zinc/87/97/00/489879700.db2.gz LCUFIBPYTPKUID-OTWHNJEPSA-N 2 1 357.502 0.923 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000433373818 489879704 /nfs/dbraw/zinc/87/97/04/489879704.db2.gz LCUFIBPYTPKUID-OTWHNJEPSA-N 2 1 357.502 0.923 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000433373818 489879710 /nfs/dbraw/zinc/87/97/10/489879710.db2.gz LCUFIBPYTPKUID-OTWHNJEPSA-N 2 1 357.502 0.923 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420010630 489880559 /nfs/dbraw/zinc/88/05/59/489880559.db2.gz FRHSUKJVHPNTFW-BBWFWOEESA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1COCCN1CC1CCC1 ZINC000377313880 489883422 /nfs/dbraw/zinc/88/34/22/489883422.db2.gz AATXGABELNXJKD-SJLPKXTDSA-N 2 1 352.523 0.630 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433467058 489887604 /nfs/dbraw/zinc/88/76/04/489887604.db2.gz PHWPKZLTOREUFO-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044157 489891892 /nfs/dbraw/zinc/89/18/92/489891892.db2.gz SOZLKFJDWWGGKJ-NUEKZKHPSA-N 2 1 366.506 0.406 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420054965 489896130 /nfs/dbraw/zinc/89/61/30/489896130.db2.gz GBGCMYPFZFHZEO-SFHVURJKSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420054965 489896131 /nfs/dbraw/zinc/89/61/31/489896131.db2.gz GBGCMYPFZFHZEO-SFHVURJKSA-N 2 1 374.485 0.583 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091166 489907934 /nfs/dbraw/zinc/90/79/34/489907934.db2.gz MMFFZKSBCUFPHB-FQEVSTJZSA-N 2 1 374.485 0.079 20 0 FCADMP COC(=O)CCNC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000377512226 489912951 /nfs/dbraw/zinc/91/29/51/489912951.db2.gz RBWQTXUZZYLMFI-GJZGRUSLSA-N 2 1 355.479 0.487 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000564072662 491286955 /nfs/dbraw/zinc/28/69/55/491286955.db2.gz GWPLSYPRBPNUGL-MRXNPFEDSA-N 2 1 364.494 0.067 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000420123551 489920989 /nfs/dbraw/zinc/92/09/89/489920989.db2.gz OUBLTYUCODRACX-IBGZPJMESA-N 2 1 359.474 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420138760 489926873 /nfs/dbraw/zinc/92/68/73/489926873.db2.gz NNOQZRNKGLMIOI-HLLBOEOZSA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420138760 489926876 /nfs/dbraw/zinc/92/68/76/489926876.db2.gz NNOQZRNKGLMIOI-HLLBOEOZSA-N 2 1 364.490 0.123 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000495315054 489935189 /nfs/dbraw/zinc/93/51/89/489935189.db2.gz SPXJETVUFKZGMF-NVXWUHKLSA-N 2 1 366.506 0.333 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169569 489938751 /nfs/dbraw/zinc/93/87/51/489938751.db2.gz RKLGXCDXKQHEIY-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000477088176 489940389 /nfs/dbraw/zinc/94/03/89/489940389.db2.gz XTKFWSLOJJCLRX-MRXNPFEDSA-N 2 1 370.538 0.650 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000477087318 489940846 /nfs/dbraw/zinc/94/08/46/489940846.db2.gz WJHGUKDQGZFHAE-IAGOWNOFSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420194314 489947352 /nfs/dbraw/zinc/94/73/52/489947352.db2.gz JSMMWXZGDIZXGE-NUJGCVRESA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420194314 489947355 /nfs/dbraw/zinc/94/73/55/489947355.db2.gz JSMMWXZGDIZXGE-NUJGCVRESA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420194315 489947784 /nfs/dbraw/zinc/94/77/84/489947784.db2.gz JSMMWXZGDIZXGE-RYRKJORJSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420194315 489947788 /nfs/dbraw/zinc/94/77/88/489947788.db2.gz JSMMWXZGDIZXGE-RYRKJORJSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000420201478 489950017 /nfs/dbraw/zinc/95/00/17/489950017.db2.gz FIDLIYWSKBXEGA-ZHCJQAHYSA-N 2 1 366.506 0.106 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000420212200 489953760 /nfs/dbraw/zinc/95/37/60/489953760.db2.gz TWNCYCMRAPRVRS-HRCADAONSA-N 2 1 354.495 0.189 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000420212200 489953764 /nfs/dbraw/zinc/95/37/64/489953764.db2.gz TWNCYCMRAPRVRS-HRCADAONSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420210223 489953876 /nfs/dbraw/zinc/95/38/76/489953876.db2.gz VZMXNDTUADESFZ-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000420219705 489955218 /nfs/dbraw/zinc/95/52/18/489955218.db2.gz YWNMLDNCYZHZFI-JJTUDDRGSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000420219705 489955221 /nfs/dbraw/zinc/95/52/21/489955221.db2.gz YWNMLDNCYZHZFI-JJTUDDRGSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777929 489957406 /nfs/dbraw/zinc/95/74/06/489957406.db2.gz XEKGRQXESKAKFP-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777929 489957407 /nfs/dbraw/zinc/95/74/07/489957407.db2.gz XEKGRQXESKAKFP-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299040 489961136 /nfs/dbraw/zinc/96/11/36/489961136.db2.gz GDMROJIMIFUBJK-YSHGAJCASA-N 2 1 363.502 0.780 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC(CC[NH2+]C)CC2)c(=O)[nH]c1=O ZINC000420307802 489961450 /nfs/dbraw/zinc/96/14/50/489961450.db2.gz MOKYPVBNWCGFFH-UHFFFAOYSA-N 2 1 351.451 0.445 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299038 489961831 /nfs/dbraw/zinc/96/18/31/489961831.db2.gz GDMROJIMIFUBJK-NQYYFHDYSA-N 2 1 363.502 0.780 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335484 489964678 /nfs/dbraw/zinc/96/46/78/489964678.db2.gz VARKIGSUCHJCBR-ULQDDVLXSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345299 489965442 /nfs/dbraw/zinc/96/54/42/489965442.db2.gz ALOYISKPPJQQCR-RBUKOAKNSA-N 3 1 359.518 0.385 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345299 489965444 /nfs/dbraw/zinc/96/54/44/489965444.db2.gz ALOYISKPPJQQCR-RBUKOAKNSA-N 3 1 359.518 0.385 20 0 FCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350377 489966879 /nfs/dbraw/zinc/96/68/79/489966879.db2.gz SNISYFHSDZUQDD-FGTMMUONSA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350377 489966882 /nfs/dbraw/zinc/96/68/82/489966882.db2.gz SNISYFHSDZUQDD-FGTMMUONSA-N 2 1 352.523 0.677 20 0 FCADMP CCCCN(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000420362421 489967935 /nfs/dbraw/zinc/96/79/35/489967935.db2.gz NGEIANNFAWIXFH-GJZGRUSLSA-N 2 1 359.536 0.780 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000556064389 491291820 /nfs/dbraw/zinc/29/18/20/491291820.db2.gz YRZHHSWQXXYXBU-KRWDZBQOSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000556064389 491291822 /nfs/dbraw/zinc/29/18/22/491291822.db2.gz YRZHHSWQXXYXBU-KRWDZBQOSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420383310 489969974 /nfs/dbraw/zinc/96/99/74/489969974.db2.gz SSFLBXHGPJIUNB-GPMSIDNRSA-N 2 1 360.502 0.803 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619960 489978619 /nfs/dbraw/zinc/97/86/19/489978619.db2.gz ZYXLPKLUDHOCLV-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000477639113 489980015 /nfs/dbraw/zinc/98/00/15/489980015.db2.gz DRRGFQZJGKTRSW-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000477650999 489981903 /nfs/dbraw/zinc/98/19/03/489981903.db2.gz HVERXJFBGITYGU-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556082941 491293077 /nfs/dbraw/zinc/29/30/77/491293077.db2.gz WMTOPRKDQIKSDB-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000571149411 491288247 /nfs/dbraw/zinc/28/82/47/491288247.db2.gz DFSZAQOWBBYROY-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571149411 491288252 /nfs/dbraw/zinc/28/82/52/491288252.db2.gz DFSZAQOWBBYROY-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCC(=O)N1CCOCC1 ZINC000435391151 490000378 /nfs/dbraw/zinc/00/03/78/490000378.db2.gz DERSFUYQAXVERE-MRXNPFEDSA-N 2 1 363.458 0.713 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCC(=O)N1CCOCC1 ZINC000435391151 490000381 /nfs/dbraw/zinc/00/03/81/490000381.db2.gz DERSFUYQAXVERE-MRXNPFEDSA-N 2 1 363.458 0.713 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478104037 490005357 /nfs/dbraw/zinc/00/53/57/490005357.db2.gz QBGMPNFSUNRKDO-QGZVFWFLSA-N 2 1 350.507 0.528 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000478104037 490005362 /nfs/dbraw/zinc/00/53/62/490005362.db2.gz QBGMPNFSUNRKDO-QGZVFWFLSA-N 2 1 350.507 0.528 20 0 FCADMP CC[C@H](CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC ZINC000420659880 490005550 /nfs/dbraw/zinc/00/55/50/490005550.db2.gz FLEUQIRLPKKJRQ-QGZVFWFLSA-N 2 1 370.519 0.938 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556087848 491293826 /nfs/dbraw/zinc/29/38/26/491293826.db2.gz CSLJVAHZCXWMMS-UHFFFAOYSA-N 2 1 358.486 0.715 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556087848 491293828 /nfs/dbraw/zinc/29/38/28/491293828.db2.gz CSLJVAHZCXWMMS-UHFFFAOYSA-N 2 1 358.486 0.715 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420735982 490015687 /nfs/dbraw/zinc/01/56/87/490015687.db2.gz KTXCYSMSPJQTFS-OAHLLOKOSA-N 2 1 357.524 0.776 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539483 490023832 /nfs/dbraw/zinc/02/38/32/490023832.db2.gz FKODEDWFXPYIHF-RDJZCZTQSA-N 2 1 359.474 0.990 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853675 490025772 /nfs/dbraw/zinc/02/57/72/490025772.db2.gz DSVGNLAOYBNSIC-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420853675 490025774 /nfs/dbraw/zinc/02/57/74/490025774.db2.gz DSVGNLAOYBNSIC-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420853675 490025777 /nfs/dbraw/zinc/02/57/77/490025777.db2.gz DSVGNLAOYBNSIC-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000420842987 490026032 /nfs/dbraw/zinc/02/60/32/490026032.db2.gz NQUIZZPSJDLWNF-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378322114 490050089 /nfs/dbraw/zinc/05/00/89/490050089.db2.gz ZYKXVLZAYZQGRP-HXUWFJFHSA-N 2 1 372.513 0.649 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000556113781 491296216 /nfs/dbraw/zinc/29/62/16/491296216.db2.gz VQMXDCPWHVSEFU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000556113781 491296219 /nfs/dbraw/zinc/29/62/19/491296219.db2.gz VQMXDCPWHVSEFU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000564253667 491296626 /nfs/dbraw/zinc/29/66/26/491296626.db2.gz VLOQWIMYZDNBLT-INIZCTEOSA-N 2 1 360.502 0.960 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061417 490065696 /nfs/dbraw/zinc/06/56/96/490065696.db2.gz RTKXLPRNYGUHFZ-CYBMUJFWSA-N 2 1 354.476 0.642 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057654 490066329 /nfs/dbraw/zinc/06/63/29/490066329.db2.gz HOGDFECTHQADEB-OLZOCXBDSA-N 2 1 354.476 0.722 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)cc[nH+]1 ZINC000479222179 490074782 /nfs/dbraw/zinc/07/47/82/490074782.db2.gz GXAGARXWNBZRBL-UHFFFAOYSA-N 2 1 361.475 0.463 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000479294024 490081497 /nfs/dbraw/zinc/08/14/97/490081497.db2.gz GIEVAIPNFNBUSZ-BRWVUGGUSA-N 2 1 360.458 0.514 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000421534193 490088220 /nfs/dbraw/zinc/08/82/20/490088220.db2.gz ZKTSKAAFXCBHBO-SFHVURJKSA-N 2 1 358.486 0.714 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000421534193 490088222 /nfs/dbraw/zinc/08/82/22/490088222.db2.gz ZKTSKAAFXCBHBO-SFHVURJKSA-N 2 1 358.486 0.714 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000421534193 490088225 /nfs/dbraw/zinc/08/82/25/490088225.db2.gz ZKTSKAAFXCBHBO-SFHVURJKSA-N 2 1 358.486 0.714 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000421534193 490088228 /nfs/dbraw/zinc/08/82/28/490088228.db2.gz ZKTSKAAFXCBHBO-SFHVURJKSA-N 2 1 358.486 0.714 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000564309279 491299364 /nfs/dbraw/zinc/29/93/64/491299364.db2.gz AFRDSBZCYHFUCV-DLBZAZTESA-N 2 1 364.515 0.973 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000564309279 491299365 /nfs/dbraw/zinc/29/93/65/491299365.db2.gz AFRDSBZCYHFUCV-DLBZAZTESA-N 2 1 364.515 0.973 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496266593 490109419 /nfs/dbraw/zinc/10/94/19/490109419.db2.gz NVOSAYZXAIDKLW-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496368693 490116698 /nfs/dbraw/zinc/11/66/98/490116698.db2.gz ZFSKIBJENYXQBB-UHFFFAOYSA-N 2 1 369.554 0.175 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000520216843 490117334 /nfs/dbraw/zinc/11/73/34/490117334.db2.gz MSJUZJJHCBAZJZ-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000479829407 490126792 /nfs/dbraw/zinc/12/67/92/490126792.db2.gz OTBDOKQWJDAGQE-CAOSSQGBSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000520384986 490141030 /nfs/dbraw/zinc/14/10/30/490141030.db2.gz JBWGBEPXONGNNF-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839718 490146593 /nfs/dbraw/zinc/14/65/93/490146593.db2.gz JJUXCQDMSIHEGR-OWCLPIDISA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839718 490146603 /nfs/dbraw/zinc/14/66/03/490146603.db2.gz JJUXCQDMSIHEGR-OWCLPIDISA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839718 490146614 /nfs/dbraw/zinc/14/66/14/490146614.db2.gz JJUXCQDMSIHEGR-OWCLPIDISA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465915583 490150863 /nfs/dbraw/zinc/15/08/63/490150863.db2.gz AFENOTBQZIXZSD-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465915583 490150869 /nfs/dbraw/zinc/15/08/69/490150869.db2.gz AFENOTBQZIXZSD-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465915583 490150879 /nfs/dbraw/zinc/15/08/79/490150879.db2.gz AFENOTBQZIXZSD-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000556205409 491302927 /nfs/dbraw/zinc/30/29/27/491302927.db2.gz OWICLGHWSSVPHA-WMLDXEAASA-N 2 1 356.536 0.388 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000465949020 490156269 /nfs/dbraw/zinc/15/62/69/490156269.db2.gz CXHHBBAABGQIDG-CABCVRRESA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000465949020 490156274 /nfs/dbraw/zinc/15/62/74/490156274.db2.gz CXHHBBAABGQIDG-CABCVRRESA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000465949020 490156281 /nfs/dbraw/zinc/15/62/81/490156281.db2.gz CXHHBBAABGQIDG-CABCVRRESA-N 2 1 351.495 0.357 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272730 490156846 /nfs/dbraw/zinc/15/68/46/490156846.db2.gz UKNIZEZYJWMKSY-XTDOFWJNSA-N 2 1 366.506 0.223 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466033506 490160227 /nfs/dbraw/zinc/16/02/27/490160227.db2.gz LDWJCNNWGCVCLO-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)CN1CC[NH+](C)CC1 ZINC000466150859 490168175 /nfs/dbraw/zinc/16/81/75/490168175.db2.gz VTVPNENVIHECQU-KRWDZBQOSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233893 490172511 /nfs/dbraw/zinc/17/25/11/490172511.db2.gz FUNWMGFUOFRJHC-HYVNUMGLSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233893 490172517 /nfs/dbraw/zinc/17/25/17/490172517.db2.gz FUNWMGFUOFRJHC-HYVNUMGLSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233893 490172524 /nfs/dbraw/zinc/17/25/24/490172524.db2.gz FUNWMGFUOFRJHC-HYVNUMGLSA-N 2 1 365.522 0.711 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466294433 490175394 /nfs/dbraw/zinc/17/53/94/490175394.db2.gz YYPBOHNAOXPUII-IRXDYDNUSA-N 2 1 365.522 0.890 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000422126485 490178227 /nfs/dbraw/zinc/17/82/27/490178227.db2.gz WVNXXPQOFINNAS-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000422131649 490179630 /nfs/dbraw/zinc/17/96/30/490179630.db2.gz HHQLKNQJAOXJCH-CVEARBPZSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000520695000 490179850 /nfs/dbraw/zinc/17/98/50/490179850.db2.gz KDHAXYAFLJSWKJ-BMFAXAFESA-N 2 1 357.539 0.481 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)n1C ZINC000556248817 491306216 /nfs/dbraw/zinc/30/62/16/491306216.db2.gz LAPDLMIIXRDEDB-UHFFFAOYSA-N 2 1 362.478 0.093 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355199 491310978 /nfs/dbraw/zinc/31/09/78/491310978.db2.gz POJBVOHARGQIQI-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000521038716 490216869 /nfs/dbraw/zinc/21/68/69/490216869.db2.gz HSGYGOMPHGHVBL-ULQDDVLXSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000497839091 490221780 /nfs/dbraw/zinc/22/17/80/490221780.db2.gz DSGIWDVILOEVKD-ZDUSSCGKSA-N 2 1 363.462 0.377 20 0 FCADMP CO[C@H](C[NH3+])CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000447449110 490235801 /nfs/dbraw/zinc/23/58/01/490235801.db2.gz NSEMUDQQABPAGV-AWEZNQCLSA-N 2 1 361.446 0.740 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000422310820 490249345 /nfs/dbraw/zinc/24/93/45/490249345.db2.gz ONZPQQHSVSVOOJ-ZDUSSCGKSA-N 2 1 350.467 0.043 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000422310820 490249348 /nfs/dbraw/zinc/24/93/48/490249348.db2.gz ONZPQQHSVSVOOJ-ZDUSSCGKSA-N 2 1 350.467 0.043 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000521323718 490249744 /nfs/dbraw/zinc/24/97/44/490249744.db2.gz ITTUZAQRHYOKDP-QGZVFWFLSA-N 2 1 356.536 0.714 20 0 FCADMP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000571521933 491312870 /nfs/dbraw/zinc/31/28/70/491312870.db2.gz FYCHUQKXBYISBX-VQIMIIECSA-N 2 1 368.522 0.579 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000564547140 491312928 /nfs/dbraw/zinc/31/29/28/491312928.db2.gz YQSKKHYBIZSYSI-MQVJKMGUSA-N 2 1 354.495 0.600 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000564547140 491312931 /nfs/dbraw/zinc/31/29/31/491312931.db2.gz YQSKKHYBIZSYSI-MQVJKMGUSA-N 2 1 354.495 0.600 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517040 491313086 /nfs/dbraw/zinc/31/30/86/491313086.db2.gz ZQHYGRRHTCXUFV-ZBFHGGJFSA-N 2 1 359.478 0.385 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517040 491313089 /nfs/dbraw/zinc/31/30/89/491313089.db2.gz ZQHYGRRHTCXUFV-ZBFHGGJFSA-N 2 1 359.478 0.385 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000422348746 490271821 /nfs/dbraw/zinc/27/18/21/490271821.db2.gz GDALEPAQOMABEA-GOSISDBHSA-N 2 1 372.513 0.754 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000422374024 490285986 /nfs/dbraw/zinc/28/59/86/490285986.db2.gz GSHUJQHQCRFRNW-KRWDZBQOSA-N 2 1 364.465 0.926 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000422374024 490285990 /nfs/dbraw/zinc/28/59/90/490285990.db2.gz GSHUJQHQCRFRNW-KRWDZBQOSA-N 2 1 364.465 0.926 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000422374024 490285999 /nfs/dbraw/zinc/28/59/99/490285999.db2.gz GSHUJQHQCRFRNW-KRWDZBQOSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000533815237 490286971 /nfs/dbraw/zinc/28/69/71/490286971.db2.gz KPCJREUQOGWFSM-KLHDSHLOSA-N 2 1 370.563 0.917 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@@H]1C ZINC000483684752 490337071 /nfs/dbraw/zinc/33/70/71/490337071.db2.gz SUJLIRLOHPHJGP-GOEBONIOSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@@H]1C ZINC000483684752 490337079 /nfs/dbraw/zinc/33/70/79/490337079.db2.gz SUJLIRLOHPHJGP-GOEBONIOSA-N 2 1 353.511 0.711 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000422487647 490353379 /nfs/dbraw/zinc/35/33/79/490353379.db2.gz INEUKYIALHHEFX-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422487647 490353392 /nfs/dbraw/zinc/35/33/92/490353392.db2.gz INEUKYIALHHEFX-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422487647 490353398 /nfs/dbraw/zinc/35/33/98/490353398.db2.gz INEUKYIALHHEFX-IRXDYDNUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522258383 490360491 /nfs/dbraw/zinc/36/04/91/490360491.db2.gz QVUWKBNQXDYEQZ-FRQCXROJSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522258383 490360498 /nfs/dbraw/zinc/36/04/98/490360498.db2.gz QVUWKBNQXDYEQZ-FRQCXROJSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)C[C@](C)(CNC(=O)[C@H]1CC[NH+](C)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522258383 490360506 /nfs/dbraw/zinc/36/05/06/490360506.db2.gz QVUWKBNQXDYEQZ-FRQCXROJSA-N 2 1 352.523 0.927 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000422497011 490361417 /nfs/dbraw/zinc/36/14/17/490361417.db2.gz UYLXPNDSBULAGX-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000498935393 490366266 /nfs/dbraw/zinc/36/62/66/490366266.db2.gz FENYWHBNNXMSBU-KRWDZBQOSA-N 2 1 366.506 0.372 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000498935393 490366270 /nfs/dbraw/zinc/36/62/70/490366270.db2.gz FENYWHBNNXMSBU-KRWDZBQOSA-N 2 1 366.506 0.372 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000498935393 490366277 /nfs/dbraw/zinc/36/62/77/490366277.db2.gz FENYWHBNNXMSBU-KRWDZBQOSA-N 2 1 366.506 0.372 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000571662635 491321591 /nfs/dbraw/zinc/32/15/91/491321591.db2.gz WMJAQQROMGSKAZ-CRAIPNDOSA-N 2 1 370.563 0.921 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000468294864 490382872 /nfs/dbraw/zinc/38/28/72/490382872.db2.gz GOKIIBYWNQONKW-UHFFFAOYSA-N 2 1 351.539 0.254 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000422546435 490400860 /nfs/dbraw/zinc/40/08/60/490400860.db2.gz URLKZJVMKDWAMR-KRWDZBQOSA-N 2 1 373.501 0.967 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339898 490409346 /nfs/dbraw/zinc/40/93/46/490409346.db2.gz LNHDOKXVHZPPTM-OXQOHEQNSA-N 2 1 358.486 0.621 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000449350389 490410643 /nfs/dbraw/zinc/41/06/43/490410643.db2.gz ZBPBDKVMQPHMIB-FHLIZLRMSA-N 2 1 358.486 0.856 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918132 490424794 /nfs/dbraw/zinc/42/47/94/490424794.db2.gz WFTXMTLTHMJFHD-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918132 490424800 /nfs/dbraw/zinc/42/48/00/490424800.db2.gz WFTXMTLTHMJFHD-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918132 490424806 /nfs/dbraw/zinc/42/48/06/490424806.db2.gz WFTXMTLTHMJFHD-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918132 490424811 /nfs/dbraw/zinc/42/48/11/490424811.db2.gz WFTXMTLTHMJFHD-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000509709223 490454038 /nfs/dbraw/zinc/45/40/38/490454038.db2.gz AKTYAJHOANLONT-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCOC)C[C@@H]1C ZINC000509709223 490454044 /nfs/dbraw/zinc/45/40/44/490454044.db2.gz AKTYAJHOANLONT-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@@H+](C)CCCOC)C[C@@H]1C ZINC000509709223 490454052 /nfs/dbraw/zinc/45/40/52/490454052.db2.gz AKTYAJHOANLONT-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000509724508 490458179 /nfs/dbraw/zinc/45/81/79/490458179.db2.gz NKRZLEDUFYXXNM-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cn2)CC1 ZINC000484738082 490460109 /nfs/dbraw/zinc/46/01/09/490460109.db2.gz MDEAYXGFTFHPQE-SFHVURJKSA-N 2 1 365.478 0.411 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000523481632 490469716 /nfs/dbraw/zinc/46/97/16/490469716.db2.gz HZNSCOASKCUNDU-JKSUJKDBSA-N 2 1 355.527 0.959 20 0 FCADMP O=C(CSCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000535262632 490470652 /nfs/dbraw/zinc/47/06/52/490470652.db2.gz OEWISZZRRIVVKO-ZIAGYGMSSA-N 2 1 366.531 0.425 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000535261132 490470753 /nfs/dbraw/zinc/47/07/53/490470753.db2.gz UZKKULVWFJESBM-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000535261132 490470759 /nfs/dbraw/zinc/47/07/59/490470759.db2.gz UZKKULVWFJESBM-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000535261132 490470763 /nfs/dbraw/zinc/47/07/63/490470763.db2.gz UZKKULVWFJESBM-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)CSCC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000535261020 490471316 /nfs/dbraw/zinc/47/13/16/490471316.db2.gz JDRHTEAVWGGNQO-HOTGVXAUSA-N 2 1 370.563 0.636 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422866843 490487982 /nfs/dbraw/zinc/48/79/82/490487982.db2.gz RAKNAPCYQHNSFA-SJORKVTESA-N 2 1 353.488 0.818 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000571820904 491331327 /nfs/dbraw/zinc/33/13/27/491331327.db2.gz JZXCRLRLVPFOGX-RDJZCZTQSA-N 2 1 355.442 0.743 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000571820904 491331329 /nfs/dbraw/zinc/33/13/29/491331329.db2.gz JZXCRLRLVPFOGX-RDJZCZTQSA-N 2 1 355.442 0.743 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000413578314 490504271 /nfs/dbraw/zinc/50/42/71/490504271.db2.gz YOXUEHSLTVSTGG-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000422954984 490504736 /nfs/dbraw/zinc/50/47/36/490504736.db2.gz KGIGDATZFSYVML-MRXNPFEDSA-N 2 1 374.485 0.769 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000556749639 491333212 /nfs/dbraw/zinc/33/32/12/491333212.db2.gz MWGQVUHKZYVRPJ-SQNIBIBYSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000556749639 491333214 /nfs/dbraw/zinc/33/32/14/491333214.db2.gz MWGQVUHKZYVRPJ-SQNIBIBYSA-N 2 1 368.522 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423061116 490532983 /nfs/dbraw/zinc/53/29/83/490532983.db2.gz QDUCKXCBGJCWEW-NUJGCVRESA-N 2 1 358.486 0.928 20 0 FCADMP C[NH+]1CCN(CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524390677 490534372 /nfs/dbraw/zinc/53/43/72/490534372.db2.gz BKDHDZOENDCZOW-FQEVSTJZSA-N 2 1 360.502 0.377 20 0 FCADMP CN1CC[NH+](CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524390677 490534376 /nfs/dbraw/zinc/53/43/76/490534376.db2.gz BKDHDZOENDCZOW-FQEVSTJZSA-N 2 1 360.502 0.377 20 0 FCADMP CN1CC[NH+](CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524390677 490534378 /nfs/dbraw/zinc/53/43/78/490534378.db2.gz BKDHDZOENDCZOW-FQEVSTJZSA-N 2 1 360.502 0.377 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524423813 490538375 /nfs/dbraw/zinc/53/83/75/490538375.db2.gz GXHNWWDIWBFYQW-SFHVURJKSA-N 2 1 367.538 0.256 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000524596913 490545424 /nfs/dbraw/zinc/54/54/24/490545424.db2.gz ARFRMMADNAHHML-UHFFFAOYSA-N 2 1 354.495 0.653 20 0 FCADMP CCC[C@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC000500762424 490549195 /nfs/dbraw/zinc/54/91/95/490549195.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 1 356.511 0.849 20 0 FCADMP CCC[C@H]1CN(C(=O)NCCN2CCOC[C@@H]2C)CCN1CCOC ZINC000500762424 490549197 /nfs/dbraw/zinc/54/91/97/490549197.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 1 356.511 0.849 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000500848354 490558973 /nfs/dbraw/zinc/55/89/73/490558973.db2.gz VDADCLOGPMWCNP-JKSUJKDBSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000500848354 490558978 /nfs/dbraw/zinc/55/89/78/490558978.db2.gz VDADCLOGPMWCNP-JKSUJKDBSA-N 2 1 353.511 0.890 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000500848354 490558981 /nfs/dbraw/zinc/55/89/81/490558981.db2.gz VDADCLOGPMWCNP-JKSUJKDBSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485800945 490559152 /nfs/dbraw/zinc/55/91/52/490559152.db2.gz WSHARRCGDABLCO-ZNMIVQPWSA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485800945 490559156 /nfs/dbraw/zinc/55/91/56/490559156.db2.gz WSHARRCGDABLCO-ZNMIVQPWSA-N 2 1 364.494 0.820 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000501112845 490579793 /nfs/dbraw/zinc/57/97/93/490579793.db2.gz RAGAZRJOVGRLMK-QGZVFWFLSA-N 2 1 360.568 0.806 20 0 FCADMP O=c1c2c(ncn1Cc1cccc(C[NH+]3CCOCC3)c1)CC[NH2+]CC2 ZINC000571915166 491337354 /nfs/dbraw/zinc/33/73/54/491337354.db2.gz UWNIBCDVLATBQW-UHFFFAOYSA-N 2 1 354.454 0.812 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC000536491176 490583234 /nfs/dbraw/zinc/58/32/34/490583234.db2.gz KPSYTOWFSLKSIP-UHFFFAOYSA-N 2 1 353.386 0.834 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486034612 490586660 /nfs/dbraw/zinc/58/66/60/490586660.db2.gz GTMFXCOLYZTVRE-MZBWOGCUSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486034612 490586662 /nfs/dbraw/zinc/58/66/62/490586662.db2.gz GTMFXCOLYZTVRE-MZBWOGCUSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486034612 490586666 /nfs/dbraw/zinc/58/66/66/490586666.db2.gz GTMFXCOLYZTVRE-MZBWOGCUSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000486114321 490591350 /nfs/dbraw/zinc/59/13/50/490591350.db2.gz ALNKOPMDQBNQSA-CJNGLKHVSA-N 2 1 359.474 0.597 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374323 490600392 /nfs/dbraw/zinc/60/03/92/490600392.db2.gz BIKWYPDUUMNKNK-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374323 490600399 /nfs/dbraw/zinc/60/03/99/490600399.db2.gz BIKWYPDUUMNKNK-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525374323 490600405 /nfs/dbraw/zinc/60/04/05/490600405.db2.gz BIKWYPDUUMNKNK-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000486281044 490604243 /nfs/dbraw/zinc/60/42/43/490604243.db2.gz NSXLDHRYCDADKI-LJQANCHMSA-N 3 1 372.517 0.100 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000486281044 490604248 /nfs/dbraw/zinc/60/42/48/490604248.db2.gz NSXLDHRYCDADKI-LJQANCHMSA-N 2 1 372.517 0.100 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000486281044 490604251 /nfs/dbraw/zinc/60/42/51/490604251.db2.gz NSXLDHRYCDADKI-LJQANCHMSA-N 2 1 372.517 0.100 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CCCC1 ZINC000550000420 490619246 /nfs/dbraw/zinc/61/92/46/490619246.db2.gz HCFUGAWYUWTTET-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501593995 490620695 /nfs/dbraw/zinc/62/06/95/490620695.db2.gz CZQIMLIWFMEYRR-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501593995 490620701 /nfs/dbraw/zinc/62/07/01/490620701.db2.gz CZQIMLIWFMEYRR-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501593995 490620708 /nfs/dbraw/zinc/62/07/08/490620708.db2.gz CZQIMLIWFMEYRR-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615177 490624260 /nfs/dbraw/zinc/62/42/60/490624260.db2.gz VDHOLJCSYXRVCC-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501615177 490624267 /nfs/dbraw/zinc/62/42/67/490624267.db2.gz VDHOLJCSYXRVCC-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501615177 490624271 /nfs/dbraw/zinc/62/42/71/490624271.db2.gz VDHOLJCSYXRVCC-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000550294289 490656594 /nfs/dbraw/zinc/65/65/94/490656594.db2.gz CTYUWPZWUQYYHF-GDBMZVCRSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cn2cc[nH+]c12 ZINC000550419116 490667310 /nfs/dbraw/zinc/66/73/10/490667310.db2.gz SSIXSCJHIIMMBV-UHFFFAOYSA-N 2 1 359.430 0.808 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771164 490669551 /nfs/dbraw/zinc/66/95/51/490669551.db2.gz KWVOUHBZDWWALI-ZBFHGGJFSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771161 490669710 /nfs/dbraw/zinc/66/97/10/490669710.db2.gz KWVOUHBZDWWALI-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512809772 490699994 /nfs/dbraw/zinc/69/99/94/490699994.db2.gz VWVNHBVABMRXTB-ROUUACIJSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512809772 490699997 /nfs/dbraw/zinc/69/99/97/490699997.db2.gz VWVNHBVABMRXTB-ROUUACIJSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512809772 490700000 /nfs/dbraw/zinc/70/00/00/490700000.db2.gz VWVNHBVABMRXTB-ROUUACIJSA-N 2 1 367.538 0.255 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512810237 490700110 /nfs/dbraw/zinc/70/01/10/490700110.db2.gz YWAIKIKMNFKHSI-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512810237 490700115 /nfs/dbraw/zinc/70/01/15/490700115.db2.gz YWAIKIKMNFKHSI-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512810237 490700119 /nfs/dbraw/zinc/70/01/19/490700119.db2.gz YWAIKIKMNFKHSI-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000565039854 491347705 /nfs/dbraw/zinc/34/77/05/491347705.db2.gz HKOCHHTXGDYVHH-SFHVURJKSA-N 2 1 361.490 0.472 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572103561 491348843 /nfs/dbraw/zinc/34/88/43/491348843.db2.gz NUUFEIMKTVUVEC-NVXWUHKLSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572103561 491348844 /nfs/dbraw/zinc/34/88/44/491348844.db2.gz NUUFEIMKTVUVEC-NVXWUHKLSA-N 2 1 363.506 0.609 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1C ZINC000487465222 490714189 /nfs/dbraw/zinc/71/41/89/490714189.db2.gz BREUIQHHFXINRQ-SFHVURJKSA-N 2 1 369.554 0.358 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513231291 490715638 /nfs/dbraw/zinc/71/56/38/490715638.db2.gz UQAVASQPHDPOOI-HUUCEWRRSA-N 2 1 367.494 0.193 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513231291 490715642 /nfs/dbraw/zinc/71/56/42/490715642.db2.gz UQAVASQPHDPOOI-HUUCEWRRSA-N 2 1 367.494 0.193 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011950 491349067 /nfs/dbraw/zinc/34/90/67/491349067.db2.gz QFXWCBVFSQVGBI-RDJZCZTQSA-N 2 1 362.449 0.898 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462297 490730439 /nfs/dbraw/zinc/73/04/39/490730439.db2.gz CZUMOVJRTKRRIR-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513469092 490731720 /nfs/dbraw/zinc/73/17/20/490731720.db2.gz MTZCDRYZIXWMHS-HNNXBMFYSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469515 490731818 /nfs/dbraw/zinc/73/18/18/490731818.db2.gz PYBCPOYWUYROSK-HUUCEWRRSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469515 490731821 /nfs/dbraw/zinc/73/18/21/490731821.db2.gz PYBCPOYWUYROSK-HUUCEWRRSA-N 2 1 370.538 0.383 20 0 FCADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000503075024 490737481 /nfs/dbraw/zinc/73/74/81/490737481.db2.gz MMQHSZQHAVMJTI-HZPDHXFCSA-N 2 1 356.492 0.059 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000503262666 490747738 /nfs/dbraw/zinc/74/77/38/490747738.db2.gz SBGWOZXHCPEBCH-IRXDYDNUSA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000503262666 490747741 /nfs/dbraw/zinc/74/77/41/490747741.db2.gz SBGWOZXHCPEBCH-IRXDYDNUSA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000503295679 490750059 /nfs/dbraw/zinc/75/00/59/490750059.db2.gz HCWSMOWSZFPPCR-IAGOWNOFSA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000503295679 490750060 /nfs/dbraw/zinc/75/00/60/490750060.db2.gz HCWSMOWSZFPPCR-IAGOWNOFSA-N 2 1 365.522 0.903 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882901 490753042 /nfs/dbraw/zinc/75/30/42/490753042.db2.gz RQNLRSPDWYSIDL-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882901 490753043 /nfs/dbraw/zinc/75/30/43/490753043.db2.gz RQNLRSPDWYSIDL-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000488351131 490756400 /nfs/dbraw/zinc/75/64/00/490756400.db2.gz FBDSUBFROQVDCO-FXUDXRNXSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CCC1 ZINC000488351131 490756402 /nfs/dbraw/zinc/75/64/02/490756402.db2.gz FBDSUBFROQVDCO-FXUDXRNXSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CCC1 ZINC000488351131 490756406 /nfs/dbraw/zinc/75/64/06/490756406.db2.gz FBDSUBFROQVDCO-FXUDXRNXSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513964007 490756603 /nfs/dbraw/zinc/75/66/03/490756603.db2.gz AJODVQLBLBHHER-AWEZNQCLSA-N 2 1 368.503 0.491 20 0 FCADMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513964007 490756605 /nfs/dbraw/zinc/75/66/05/490756605.db2.gz AJODVQLBLBHHER-AWEZNQCLSA-N 2 1 368.503 0.491 20 0 FCADMP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000514073921 490761179 /nfs/dbraw/zinc/76/11/79/490761179.db2.gz FROPAOFWZNSVMC-UHFFFAOYSA-N 3 1 365.566 0.641 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000572068456 491346727 /nfs/dbraw/zinc/34/67/27/491346727.db2.gz XYSJYKXXYDKTTD-KFWWJZLASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000572068456 491346728 /nfs/dbraw/zinc/34/67/28/491346728.db2.gz XYSJYKXXYDKTTD-KFWWJZLASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000572068456 491346729 /nfs/dbraw/zinc/34/67/29/491346729.db2.gz XYSJYKXXYDKTTD-KFWWJZLASA-N 2 1 354.495 0.201 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121542 491354660 /nfs/dbraw/zinc/35/46/60/491354660.db2.gz VPMNGNBRZQYZHV-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000557131908 491355615 /nfs/dbraw/zinc/35/56/15/491355615.db2.gz KSBNRQDRWUVJKW-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000557131908 491355617 /nfs/dbraw/zinc/35/56/17/491355617.db2.gz KSBNRQDRWUVJKW-QGZVFWFLSA-N 2 1 350.507 0.777 20 0 FCADMP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850471 490793082 /nfs/dbraw/zinc/79/30/82/490793082.db2.gz NESFJKPPUPVIQO-RDJZCZTQSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000514859391 490793788 /nfs/dbraw/zinc/79/37/88/490793788.db2.gz OKBFUOZDEQAPSV-HIFRSBDPSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000514859391 490793791 /nfs/dbraw/zinc/79/37/91/490793791.db2.gz OKBFUOZDEQAPSV-HIFRSBDPSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000514859393 490793861 /nfs/dbraw/zinc/79/38/61/490793861.db2.gz OKBFUOZDEQAPSV-ZFWWWQNUSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000514859393 490793863 /nfs/dbraw/zinc/79/38/63/490793863.db2.gz OKBFUOZDEQAPSV-ZFWWWQNUSA-N 2 1 364.515 0.869 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000515055952 490805835 /nfs/dbraw/zinc/80/58/35/490805835.db2.gz FHBFFMWPULYFCX-GOSISDBHSA-N 2 1 358.486 0.632 20 0 FCADMP C[C@]1(CO)C[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C[C@@]1(C)CO ZINC000528751567 490826168 /nfs/dbraw/zinc/82/61/68/490826168.db2.gz LWVSSLMRCITRJC-KDURUIRLSA-N 2 1 365.474 0.237 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515673283 490835029 /nfs/dbraw/zinc/83/50/29/490835029.db2.gz SWRNKXRCKRQUGH-BZUAXINKSA-N 2 1 351.495 0.450 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCSc1nnnn1C ZINC000505766330 490839106 /nfs/dbraw/zinc/83/91/06/490839106.db2.gz ODVFLLXTJJPUOK-AWEZNQCLSA-N 2 1 369.539 0.567 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000557241729 491361247 /nfs/dbraw/zinc/36/12/47/491361247.db2.gz CBYMODBNZRMNIX-IBGZPJMESA-N 2 1 374.533 0.354 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224459 491361369 /nfs/dbraw/zinc/36/13/69/491361369.db2.gz JENATBPKJNDRCU-LPHOPBHVSA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000565224459 491361372 /nfs/dbraw/zinc/36/13/72/491361372.db2.gz JENATBPKJNDRCU-LPHOPBHVSA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000565224459 491361375 /nfs/dbraw/zinc/36/13/75/491361375.db2.gz JENATBPKJNDRCU-LPHOPBHVSA-N 2 1 360.458 0.496 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301393 490848817 /nfs/dbraw/zinc/84/88/17/490848817.db2.gz YBMZSIOHQIVHTB-YJBOKZPZSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000529301393 490848820 /nfs/dbraw/zinc/84/88/20/490848820.db2.gz YBMZSIOHQIVHTB-YJBOKZPZSA-N 2 1 362.474 0.695 20 0 FCADMP CCC[C@](C)([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000516067878 490849204 /nfs/dbraw/zinc/84/92/04/490849204.db2.gz LBVDFDPXLGUHSK-IBGZPJMESA-N 2 1 368.522 0.581 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000529322097 490851713 /nfs/dbraw/zinc/85/17/13/490851713.db2.gz KMALYOKIZNIDPC-QZTJIDSGSA-N 2 1 362.474 0.565 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529359921 490856401 /nfs/dbraw/zinc/85/64/01/490856401.db2.gz QUHBSTCXICICGG-MRXNPFEDSA-N 2 1 365.522 0.857 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529359921 490856404 /nfs/dbraw/zinc/85/64/04/490856404.db2.gz QUHBSTCXICICGG-MRXNPFEDSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207290 490856565 /nfs/dbraw/zinc/85/65/65/490856565.db2.gz MSHUZCGXGSYJKD-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000529377341 490858262 /nfs/dbraw/zinc/85/82/62/490858262.db2.gz VDYLOJMGHQZWLK-RCCFBDPRSA-N 2 1 362.474 0.157 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000557251845 491362449 /nfs/dbraw/zinc/36/24/49/491362449.db2.gz ZZQUFATZBXYAAC-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000557251845 491362451 /nfs/dbraw/zinc/36/24/51/491362451.db2.gz ZZQUFATZBXYAAC-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234150 491362747 /nfs/dbraw/zinc/36/27/47/491362747.db2.gz QXUZNDFUJDXKTI-UONOGXRCSA-N 2 1 355.398 0.549 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CCN2C1=O ZINC000565234150 491362750 /nfs/dbraw/zinc/36/27/50/491362750.db2.gz QXUZNDFUJDXKTI-UONOGXRCSA-N 2 1 355.398 0.549 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)C[C@H]21 ZINC000516651071 490872767 /nfs/dbraw/zinc/87/27/67/490872767.db2.gz OFYZUXPWCLKAFZ-KZNAEPCWSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)CCO1 ZINC000516924243 490884942 /nfs/dbraw/zinc/88/49/42/490884942.db2.gz IIVCKPXGWWEJPJ-HNNXBMFYSA-N 2 1 372.473 0.778 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)CCO1 ZINC000516924243 490884944 /nfs/dbraw/zinc/88/49/44/490884944.db2.gz IIVCKPXGWWEJPJ-HNNXBMFYSA-N 2 1 372.473 0.778 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000542196595 490888907 /nfs/dbraw/zinc/88/89/07/490888907.db2.gz MWXYBBBFKOZVLU-BHIYHBOVSA-N 2 1 361.486 0.706 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000517263696 490902458 /nfs/dbraw/zinc/90/24/58/490902458.db2.gz VPHULTBBNLEQTD-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000530429598 490905397 /nfs/dbraw/zinc/90/53/97/490905397.db2.gz JQWVPSCZUGVOAV-CVEARBPZSA-N 2 1 369.535 0.967 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000542777821 490908856 /nfs/dbraw/zinc/90/88/56/490908856.db2.gz CCWGOKQUBDSPMG-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000517577857 490913041 /nfs/dbraw/zinc/91/30/41/490913041.db2.gz BKGBIHKCONQSTI-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000517746978 490919056 /nfs/dbraw/zinc/91/90/56/490919056.db2.gz IYYCULGKNZTGCR-MJGOQNOKSA-N 2 1 352.523 0.804 20 0 FCADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062792 490939478 /nfs/dbraw/zinc/93/94/78/490939478.db2.gz GTKTXEGBFROQIG-WIYYLYMNSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062792 490939481 /nfs/dbraw/zinc/93/94/81/490939481.db2.gz GTKTXEGBFROQIG-WIYYLYMNSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062792 490939484 /nfs/dbraw/zinc/93/94/84/490939484.db2.gz GTKTXEGBFROQIG-WIYYLYMNSA-N 2 1 374.529 0.623 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[N@@H+](C)CCOC)C2)CC1 ZINC000518522951 490944267 /nfs/dbraw/zinc/94/42/67/490944267.db2.gz WFBMCWHCCBPVBL-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244187 490947435 /nfs/dbraw/zinc/94/74/35/490947435.db2.gz BGZWVKNHXIVANX-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000531344008 490953082 /nfs/dbraw/zinc/95/30/82/490953082.db2.gz WTDZJSOYAZXJLB-QGZVFWFLSA-N 2 1 351.495 0.811 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000531344008 490953084 /nfs/dbraw/zinc/95/30/84/490953084.db2.gz WTDZJSOYAZXJLB-QGZVFWFLSA-N 2 1 351.495 0.811 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000519129604 490962280 /nfs/dbraw/zinc/96/22/80/490962280.db2.gz FBODPZFYGQPGIM-CVEARBPZSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000519129604 490962282 /nfs/dbraw/zinc/96/22/82/490962282.db2.gz FBODPZFYGQPGIM-CVEARBPZSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000519129604 490962283 /nfs/dbraw/zinc/96/22/83/490962283.db2.gz FBODPZFYGQPGIM-CVEARBPZSA-N 2 1 355.527 0.957 20 0 FCADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000519536993 490974941 /nfs/dbraw/zinc/97/49/41/490974941.db2.gz LRXDMDREMBFWQH-QGZVFWFLSA-N 2 1 363.458 0.383 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)CC1 ZINC000531838325 490976445 /nfs/dbraw/zinc/97/64/45/490976445.db2.gz XRYTUPIMJQWHRC-MSOLQXFVSA-N 2 1 366.554 0.042 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000519567632 490977195 /nfs/dbraw/zinc/97/71/95/490977195.db2.gz MEQZICNPKFBIRX-VYDXJSESSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000519648265 490981983 /nfs/dbraw/zinc/98/19/83/490981983.db2.gz TZYQLXWDHYAXMP-ZWKOTPCHSA-N 2 1 374.485 0.709 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561016 491382979 /nfs/dbraw/zinc/38/29/79/491382979.db2.gz DNQPPJJBSLNGMW-ZBFHGGJFSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c2)CCO1 ZINC000565549381 491384013 /nfs/dbraw/zinc/38/40/13/491384013.db2.gz GHYJXHRHTDJBPR-HNNXBMFYSA-N 2 1 362.474 0.331 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c2)CCO1 ZINC000565549381 491384016 /nfs/dbraw/zinc/38/40/16/491384016.db2.gz GHYJXHRHTDJBPR-HNNXBMFYSA-N 2 1 362.474 0.331 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565548327 491384130 /nfs/dbraw/zinc/38/41/30/491384130.db2.gz GRALEAJMIXNFCM-STQMWFEESA-N 2 1 366.849 0.921 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565548327 491384131 /nfs/dbraw/zinc/38/41/31/491384131.db2.gz GRALEAJMIXNFCM-STQMWFEESA-N 2 1 366.849 0.921 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000673512508 493338563 /nfs/dbraw/zinc/33/85/63/493338563.db2.gz CVCOYKQPZCGXEB-ADHGMGHFSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000673512508 493338565 /nfs/dbraw/zinc/33/85/65/493338565.db2.gz CVCOYKQPZCGXEB-ADHGMGHFSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000673512508 493338567 /nfs/dbraw/zinc/33/85/67/493338567.db2.gz CVCOYKQPZCGXEB-ADHGMGHFSA-N 2 1 353.507 0.788 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000673512508 493338573 /nfs/dbraw/zinc/33/85/73/493338573.db2.gz CVCOYKQPZCGXEB-ADHGMGHFSA-N 2 1 353.507 0.788 20 0 FCADMP O=C1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1CCN1CCOCC1 ZINC000565651708 491390792 /nfs/dbraw/zinc/39/07/92/491390792.db2.gz PWPZRXYQERYTAK-WNRNVDISSA-N 3 1 350.507 0.430 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000565672248 491392835 /nfs/dbraw/zinc/39/28/35/491392835.db2.gz ZFMXLGNALQBTAK-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884341 491399716 /nfs/dbraw/zinc/39/97/16/491399716.db2.gz ARNKFHFNJHJBAR-JHJVBQTASA-N 2 1 364.412 0.715 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000565789711 491399984 /nfs/dbraw/zinc/39/99/84/491399984.db2.gz YIPNBXCLKOFKHB-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884344 491399974 /nfs/dbraw/zinc/39/99/74/491399974.db2.gz ARNKFHFNJHJBAR-YNEHKIRRSA-N 2 1 364.412 0.715 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572905890 491401014 /nfs/dbraw/zinc/40/10/14/491401014.db2.gz IRMVECHASKMSKB-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966850 491404706 /nfs/dbraw/zinc/40/47/06/491404706.db2.gz KBGSZDJCQJKCMG-SJLPKXTDSA-N 2 1 369.531 0.956 20 0 FCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966850 491404708 /nfs/dbraw/zinc/40/47/08/491404708.db2.gz KBGSZDJCQJKCMG-SJLPKXTDSA-N 2 1 369.531 0.956 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000565904041 491406206 /nfs/dbraw/zinc/40/62/06/491406206.db2.gz BEUKKQZCJGJVAU-DOTOQJQBSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000565904053 491406244 /nfs/dbraw/zinc/40/62/44/491406244.db2.gz BEUKKQZCJGJVAU-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000558059685 491410952 /nfs/dbraw/zinc/41/09/52/491410952.db2.gz UEVZAGRKCRQIQJ-UONOGXRCSA-N 2 1 364.494 0.434 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000558059685 491410954 /nfs/dbraw/zinc/41/09/54/491410954.db2.gz UEVZAGRKCRQIQJ-UONOGXRCSA-N 2 1 364.494 0.434 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000573091920 491411949 /nfs/dbraw/zinc/41/19/49/491411949.db2.gz RRDBRUQWGIXAIS-DLBZAZTESA-N 2 1 359.474 0.205 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573132127 491414871 /nfs/dbraw/zinc/41/48/71/491414871.db2.gz JHCKLDIBWYBRIU-DLBZAZTESA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000573192405 491417891 /nfs/dbraw/zinc/41/78/91/491417891.db2.gz NLOMSROXHKHWKE-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+]1CCN(C)CC1 ZINC000566181301 491423740 /nfs/dbraw/zinc/42/37/40/491423740.db2.gz RMGCAFJLWWBTSS-RDJZCZTQSA-N 2 1 363.510 0.032 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321424 491426076 /nfs/dbraw/zinc/42/60/76/491426076.db2.gz UVNVJLVIKCZFKV-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321424 491426080 /nfs/dbraw/zinc/42/60/80/491426080.db2.gz UVNVJLVIKCZFKV-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321424 491426081 /nfs/dbraw/zinc/42/60/81/491426081.db2.gz UVNVJLVIKCZFKV-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346211 491428221 /nfs/dbraw/zinc/42/82/21/491428221.db2.gz BBKPWGVGOJFJJQ-UONOGXRCSA-N 2 1 365.444 0.948 20 0 FCADMP O=C(C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)NC(=O)NCC(F)(F)F ZINC000573356851 491428453 /nfs/dbraw/zinc/42/84/53/491428453.db2.gz AAEOLCPQCIXQNA-UHFFFAOYSA-N 2 1 374.367 0.511 20 0 FCADMP CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000566249141 491430645 /nfs/dbraw/zinc/43/06/45/491430645.db2.gz ZFBOWZMJXWYEFL-INIZCTEOSA-N 2 1 366.506 0.206 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000573476571 491435973 /nfs/dbraw/zinc/43/59/73/491435973.db2.gz SOFZCGDPECVJIS-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000558616083 491438718 /nfs/dbraw/zinc/43/87/18/491438718.db2.gz WEOPFHYJVHWXHZ-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000573575645 491441869 /nfs/dbraw/zinc/44/18/69/491441869.db2.gz HQXOUVLXCKTXKY-NEWSRXKRSA-N 2 1 360.502 0.499 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)CC2 ZINC000573616279 491444389 /nfs/dbraw/zinc/44/43/89/491444389.db2.gz WSZRUZCNCBPQPO-CQSZACIVSA-N 2 1 373.461 0.267 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508779 491449951 /nfs/dbraw/zinc/44/99/51/491449951.db2.gz ZCXDWKPLRVINEC-IXDOHACOSA-N 2 1 357.458 0.214 20 0 FCADMP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983278 491450497 /nfs/dbraw/zinc/45/04/97/491450497.db2.gz FHSSJHLCZRMRDQ-BBWFWOEESA-N 2 1 365.522 0.522 20 0 FCADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983278 491450500 /nfs/dbraw/zinc/45/05/00/491450500.db2.gz FHSSJHLCZRMRDQ-BBWFWOEESA-N 2 1 365.522 0.522 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566575713 491454468 /nfs/dbraw/zinc/45/44/68/491454468.db2.gz FRTRYZGBJPOJIR-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000566787512 491466640 /nfs/dbraw/zinc/46/66/40/491466640.db2.gz FZOFOJZFTJJHHF-MRXNPFEDSA-N 2 1 359.474 0.931 20 0 FCADMP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000566787512 491466643 /nfs/dbraw/zinc/46/66/43/491466643.db2.gz FZOFOJZFTJJHHF-MRXNPFEDSA-N 2 1 359.474 0.931 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000559405674 491470415 /nfs/dbraw/zinc/47/04/15/491470415.db2.gz OPMUMZKEOZMLAC-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405674 491470418 /nfs/dbraw/zinc/47/04/18/491470418.db2.gz OPMUMZKEOZMLAC-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405674 491470421 /nfs/dbraw/zinc/47/04/21/491470421.db2.gz OPMUMZKEOZMLAC-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911780 491474810 /nfs/dbraw/zinc/47/48/10/491474810.db2.gz MXOOUNIQEKIFPA-RXVVDRJESA-N 2 1 372.513 0.977 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000559463714 491475350 /nfs/dbraw/zinc/47/53/50/491475350.db2.gz LVFQGGNSVAKJOP-KRWDZBQOSA-N 2 1 366.506 0.159 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000574386429 491492564 /nfs/dbraw/zinc/49/25/64/491492564.db2.gz WEDYJXFZGXGEEN-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000574397893 491493518 /nfs/dbraw/zinc/49/35/18/491493518.db2.gz VKCLLGSKHCDXNX-UHFFFAOYSA-N 2 1 371.489 0.521 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@H]2C1 ZINC000567303120 491498334 /nfs/dbraw/zinc/49/83/34/491498334.db2.gz IOHCFKHEPBADDI-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)N1CC[NH2+]CC1 ZINC000567344671 491500791 /nfs/dbraw/zinc/50/07/91/491500791.db2.gz WCTOVVKUFHCNMH-WIYYLYMNSA-N 2 1 370.497 0.837 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000574549430 491504494 /nfs/dbraw/zinc/50/44/94/491504494.db2.gz TZUSQAQERSPXNG-OALUTQOASA-N 2 1 372.513 0.865 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559864302 491506108 /nfs/dbraw/zinc/50/61/08/491506108.db2.gz HVPGKAYGXVDEID-VKJFTORMSA-N 2 1 368.547 0.625 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000559900933 491508471 /nfs/dbraw/zinc/50/84/71/491508471.db2.gz FQKRIEWPDDRISU-INIZCTEOSA-N 2 1 371.485 0.639 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000559900933 491508474 /nfs/dbraw/zinc/50/84/74/491508474.db2.gz FQKRIEWPDDRISU-INIZCTEOSA-N 2 1 371.485 0.639 20 0 FCADMP COC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496288 491509843 /nfs/dbraw/zinc/50/98/43/491509843.db2.gz VAXMFPCUGPYXJD-UZLBHIALSA-N 2 1 374.485 0.949 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574666357 491511829 /nfs/dbraw/zinc/51/18/29/491511829.db2.gz CKFMNHRSCHMOBI-PKOBYXMFSA-N 2 1 374.533 0.400 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574666354 491512024 /nfs/dbraw/zinc/51/20/24/491512024.db2.gz CKFMNHRSCHMOBI-IEBWSBKVSA-N 2 1 374.533 0.400 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560027859 491516687 /nfs/dbraw/zinc/51/66/87/491516687.db2.gz MOJZQRSGUUKVGD-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C2)C1 ZINC000560150985 491521317 /nfs/dbraw/zinc/52/13/17/491521317.db2.gz DMYMPWIPKVCCFM-IBGZPJMESA-N 2 1 374.489 0.643 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000574878640 491525423 /nfs/dbraw/zinc/52/54/23/491525423.db2.gz VRRONYICIYKXMU-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@]1(n2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CCS(=O)(=O)C1 ZINC000574917006 491527692 /nfs/dbraw/zinc/52/76/92/491527692.db2.gz PBOZLPCTPSVDEU-IXDOHACOSA-N 2 1 352.504 0.848 20 0 FCADMP C[C@@]1(n2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CCS(=O)(=O)C1 ZINC000574917006 491527694 /nfs/dbraw/zinc/52/76/94/491527694.db2.gz PBOZLPCTPSVDEU-IXDOHACOSA-N 2 1 352.504 0.848 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583404 493348568 /nfs/dbraw/zinc/34/85/68/493348568.db2.gz LDVDVPTZSDSFGR-IRXDYDNUSA-N 2 1 368.522 0.329 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000567821255 491532005 /nfs/dbraw/zinc/53/20/05/491532005.db2.gz XPUKEBNBMWBKAO-UHFFFAOYSA-N 2 1 363.506 0.335 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893687 491539005 /nfs/dbraw/zinc/53/90/05/491539005.db2.gz JGDGQCPYZBZONP-SJORKVTESA-N 2 1 359.470 0.794 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893687 491539006 /nfs/dbraw/zinc/53/90/06/491539006.db2.gz JGDGQCPYZBZONP-SJORKVTESA-N 2 1 359.470 0.794 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893685 491539027 /nfs/dbraw/zinc/53/90/27/491539027.db2.gz JGDGQCPYZBZONP-IAGOWNOFSA-N 2 1 359.470 0.794 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893685 491539028 /nfs/dbraw/zinc/53/90/28/491539028.db2.gz JGDGQCPYZBZONP-IAGOWNOFSA-N 2 1 359.470 0.794 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656022 491549908 /nfs/dbraw/zinc/54/99/08/491549908.db2.gz VTQIOAKPZSUPLW-INIZCTEOSA-N 2 1 362.449 0.727 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656022 491549910 /nfs/dbraw/zinc/54/99/10/491549910.db2.gz VTQIOAKPZSUPLW-INIZCTEOSA-N 2 1 362.449 0.727 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656022 491549913 /nfs/dbraw/zinc/54/99/13/491549913.db2.gz VTQIOAKPZSUPLW-INIZCTEOSA-N 2 1 362.449 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC(C)CC1 ZINC000560763095 491555535 /nfs/dbraw/zinc/55/55/35/491555535.db2.gz LOESDANNJKWLQI-HOTGVXAUSA-N 2 1 350.507 0.990 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000560899321 491563434 /nfs/dbraw/zinc/56/34/34/491563434.db2.gz NOGZAUWMQZGCHR-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000560899321 491563435 /nfs/dbraw/zinc/56/34/35/491563435.db2.gz NOGZAUWMQZGCHR-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000560899321 491563437 /nfs/dbraw/zinc/56/34/37/491563437.db2.gz NOGZAUWMQZGCHR-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000560899321 491563439 /nfs/dbraw/zinc/56/34/39/491563439.db2.gz NOGZAUWMQZGCHR-HNNXBMFYSA-N 2 1 356.511 0.138 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000568374930 491572636 /nfs/dbraw/zinc/57/26/36/491572636.db2.gz KPVHLIUVPIOZBT-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000568383036 491573204 /nfs/dbraw/zinc/57/32/04/491573204.db2.gz YHKLBEQIKNBXTC-KRWDZBQOSA-N 2 1 369.893 0.971 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000568389623 491573521 /nfs/dbraw/zinc/57/35/21/491573521.db2.gz RSOSWQQKFSOXNY-OAHLLOKOSA-N 2 1 371.445 0.783 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561148420 491578628 /nfs/dbraw/zinc/57/86/28/491578628.db2.gz YTJBQJJMAKPMPQ-MOPGFXCFSA-N 2 1 357.502 0.950 20 0 FCADMP C[C@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000568490615 491580056 /nfs/dbraw/zinc/58/00/56/491580056.db2.gz IVXZAUQPJDNRAY-MRXNPFEDSA-N 2 1 361.490 0.628 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000576146375 491586575 /nfs/dbraw/zinc/58/65/75/491586575.db2.gz VKXSBOYNIWJNHY-CKEIUWERSA-N 2 1 350.507 0.774 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577105596 491590322 /nfs/dbraw/zinc/59/03/22/491590322.db2.gz IPHNYBJCYVLZBN-SJORKVTESA-N 2 1 364.490 0.053 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577105596 491590326 /nfs/dbraw/zinc/59/03/26/491590326.db2.gz IPHNYBJCYVLZBN-SJORKVTESA-N 2 1 364.490 0.053 20 0 FCADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561285510 491594494 /nfs/dbraw/zinc/59/44/94/491594494.db2.gz XXGSHYOXGWWDPC-NVXWUHKLSA-N 2 1 359.474 0.380 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470519 491595308 /nfs/dbraw/zinc/59/53/08/491595308.db2.gz IWVGKWAZPROMDL-QWRGUYRKSA-N 2 1 366.384 0.450 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470519 491595311 /nfs/dbraw/zinc/59/53/11/491595311.db2.gz IWVGKWAZPROMDL-QWRGUYRKSA-N 2 1 366.384 0.450 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568737318 491604730 /nfs/dbraw/zinc/60/47/30/491604730.db2.gz JVXPWISBGDLRRC-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000576399307 491611673 /nfs/dbraw/zinc/61/16/73/491611673.db2.gz BCTDSSUWQHQOEN-HNNXBMFYSA-N 2 1 353.488 0.652 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000576399307 491611675 /nfs/dbraw/zinc/61/16/75/491611675.db2.gz BCTDSSUWQHQOEN-HNNXBMFYSA-N 2 1 353.488 0.652 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1 ZINC000568841792 491612711 /nfs/dbraw/zinc/61/27/11/491612711.db2.gz SGDRWUZIDRMAQD-WNRNVDISSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1 ZINC000568841792 491612713 /nfs/dbraw/zinc/61/27/13/491612713.db2.gz SGDRWUZIDRMAQD-WNRNVDISSA-N 2 1 353.507 0.552 20 0 FCADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577355549 491614786 /nfs/dbraw/zinc/61/47/86/491614786.db2.gz BZFDJUSXNFMKDH-WMZOPIPTSA-N 2 1 371.485 0.479 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC000577471580 491624355 /nfs/dbraw/zinc/62/43/55/491624355.db2.gz HWZMFRHIIBIQKA-GDBMZVCRSA-N 2 1 364.490 0.871 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000561743244 491628707 /nfs/dbraw/zinc/62/87/07/491628707.db2.gz MEJNXULIYKEMGI-IRXDYDNUSA-N 2 1 368.522 0.327 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)CC1 ZINC000561792262 491630896 /nfs/dbraw/zinc/63/08/96/491630896.db2.gz DMONJDHGMMXFSC-LEUOFYLZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000577540768 491631468 /nfs/dbraw/zinc/63/14/68/491631468.db2.gz NZBBQDVEHJUOBO-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)n1C ZINC000561812578 491631947 /nfs/dbraw/zinc/63/19/47/491631947.db2.gz GRKQCVMADHGELQ-UHFFFAOYSA-N 2 1 362.478 0.189 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000576649764 491633166 /nfs/dbraw/zinc/63/31/66/491633166.db2.gz HGWJAXRWWRQJQS-UHFFFAOYSA-N 2 1 368.428 0.853 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000576654473 491633370 /nfs/dbraw/zinc/63/33/70/491633370.db2.gz NPWXRPJRDBTDON-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000577608639 491635607 /nfs/dbraw/zinc/63/56/07/491635607.db2.gz QHVZNVNEMATGMY-KBPBESRZSA-N 2 1 367.519 0.006 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576687488 491635679 /nfs/dbraw/zinc/63/56/79/491635679.db2.gz HFPDFLIITRCHQI-RYQLBKOJSA-N 2 1 362.474 0.645 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576687488 491635682 /nfs/dbraw/zinc/63/56/82/491635682.db2.gz HFPDFLIITRCHQI-RYQLBKOJSA-N 2 1 362.474 0.645 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000569132536 491636929 /nfs/dbraw/zinc/63/69/29/491636929.db2.gz DZCQPPBLRXOXGJ-QGZVFWFLSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000569132536 491636932 /nfs/dbraw/zinc/63/69/32/491636932.db2.gz DZCQPPBLRXOXGJ-QGZVFWFLSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000576716005 491638465 /nfs/dbraw/zinc/63/84/65/491638465.db2.gz OARUPOQMDKMQRB-UHFFFAOYSA-N 2 1 368.522 0.233 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569204497 491641310 /nfs/dbraw/zinc/64/13/10/491641310.db2.gz UABYBODYHJZHKM-ABAIWWIYSA-N 2 1 368.840 0.676 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000569251164 491646589 /nfs/dbraw/zinc/64/65/89/491646589.db2.gz JPCGDCXKOSKXMA-GOEBONIOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569251164 491646593 /nfs/dbraw/zinc/64/65/93/491646593.db2.gz JPCGDCXKOSKXMA-GOEBONIOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569251164 491646596 /nfs/dbraw/zinc/64/65/96/491646596.db2.gz JPCGDCXKOSKXMA-GOEBONIOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@H]3C(=O)OC)CC2)CC1 ZINC000569256901 491647091 /nfs/dbraw/zinc/64/70/91/491647091.db2.gz NYNRXIJBOYHQNQ-SJORKVTESA-N 2 1 367.490 0.318 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000577740744 491647930 /nfs/dbraw/zinc/64/79/30/491647930.db2.gz QIOZZMDEGFMDRB-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050326 491650875 /nfs/dbraw/zinc/65/08/75/491650875.db2.gz ZMHAELRYQMYBAT-YOEHRIQHSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050326 491650876 /nfs/dbraw/zinc/65/08/76/491650876.db2.gz ZMHAELRYQMYBAT-YOEHRIQHSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000562050326 491650877 /nfs/dbraw/zinc/65/08/77/491650877.db2.gz ZMHAELRYQMYBAT-YOEHRIQHSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000562050326 491650878 /nfs/dbraw/zinc/65/08/78/491650878.db2.gz ZMHAELRYQMYBAT-YOEHRIQHSA-N 2 1 361.552 0.824 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000569331585 491652310 /nfs/dbraw/zinc/65/23/10/491652310.db2.gz YUOKAJBVEDFTHC-CQSZACIVSA-N 2 1 360.462 0.183 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000576900449 491655020 /nfs/dbraw/zinc/65/50/20/491655020.db2.gz CXGVOWSDCZRWCO-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900449 491655023 /nfs/dbraw/zinc/65/50/23/491655023.db2.gz CXGVOWSDCZRWCO-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900449 491655027 /nfs/dbraw/zinc/65/50/27/491655027.db2.gz CXGVOWSDCZRWCO-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000562329707 491666349 /nfs/dbraw/zinc/66/63/49/491666349.db2.gz RVJDAQIFHXBTRM-HLLBOEOZSA-N 2 1 365.522 0.569 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000562329707 491666351 /nfs/dbraw/zinc/66/63/51/491666351.db2.gz RVJDAQIFHXBTRM-HLLBOEOZSA-N 2 1 365.522 0.569 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000578226886 491672818 /nfs/dbraw/zinc/67/28/18/491672818.db2.gz NODMZUONRGCDLZ-SFHVURJKSA-N 2 1 363.481 0.947 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000578226886 491672819 /nfs/dbraw/zinc/67/28/19/491672819.db2.gz NODMZUONRGCDLZ-SFHVURJKSA-N 2 1 363.481 0.947 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000578340912 491675144 /nfs/dbraw/zinc/67/51/44/491675144.db2.gz NBQHIVNKHYYAEG-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000578340912 491675145 /nfs/dbraw/zinc/67/51/45/491675145.db2.gz NBQHIVNKHYYAEG-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000578464369 491677854 /nfs/dbraw/zinc/67/78/54/491677854.db2.gz PYDKKTXUYBTMEW-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000578464369 491677855 /nfs/dbraw/zinc/67/78/55/491677855.db2.gz PYDKKTXUYBTMEW-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000578464369 491677856 /nfs/dbraw/zinc/67/78/56/491677856.db2.gz PYDKKTXUYBTMEW-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000578464369 491677857 /nfs/dbraw/zinc/67/78/57/491677857.db2.gz PYDKKTXUYBTMEW-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CN1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000578608213 491680640 /nfs/dbraw/zinc/68/06/40/491680640.db2.gz CDUHCTKHLBYRCI-SFHVURJKSA-N 2 1 361.490 0.303 20 0 FCADMP C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000578745402 491683408 /nfs/dbraw/zinc/68/34/08/491683408.db2.gz RZPZTIYCQWZCKE-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000579148667 491692101 /nfs/dbraw/zinc/69/21/01/491692101.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 1 372.513 0.960 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000579148667 491692102 /nfs/dbraw/zinc/69/21/02/491692102.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000579355267 491696173 /nfs/dbraw/zinc/69/61/73/491696173.db2.gz ZDSFKMHBRAMISW-BBWFWOEESA-N 2 1 366.506 0.428 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822370 491705944 /nfs/dbraw/zinc/70/59/44/491705944.db2.gz BMOMZYBHRAFHJS-YLJYHZDGSA-N 3 1 358.486 0.996 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936417 491710008 /nfs/dbraw/zinc/71/00/08/491710008.db2.gz NGIXQMDAILKGTJ-CGTJXYLNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936417 491710009 /nfs/dbraw/zinc/71/00/09/491710009.db2.gz NGIXQMDAILKGTJ-CGTJXYLNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000580085030 491716945 /nfs/dbraw/zinc/71/69/45/491716945.db2.gz KLKTYRUDHHTFTG-GJZGRUSLSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000580125768 491718779 /nfs/dbraw/zinc/71/87/79/491718779.db2.gz ZUYDABXLIXAAFL-QGPMSJSTSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000580125768 491718780 /nfs/dbraw/zinc/71/87/80/491718780.db2.gz ZUYDABXLIXAAFL-QGPMSJSTSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000580125768 491718781 /nfs/dbraw/zinc/71/87/81/491718781.db2.gz ZUYDABXLIXAAFL-QGPMSJSTSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000580294073 491724546 /nfs/dbraw/zinc/72/45/46/491724546.db2.gz QXNLZKFAVCAKRH-YVSFHVDLSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000580294072 491724651 /nfs/dbraw/zinc/72/46/51/491724651.db2.gz QXNLZKFAVCAKRH-VVLHAWIVSA-N 2 1 362.518 0.824 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000580584066 491737185 /nfs/dbraw/zinc/73/71/85/491737185.db2.gz QBAILONSKZTIPL-KRWDZBQOSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@H+](CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000588304307 491744149 /nfs/dbraw/zinc/74/41/49/491744149.db2.gz IVHJXSDXBOYZFI-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000588304307 491744150 /nfs/dbraw/zinc/74/41/50/491744150.db2.gz IVHJXSDXBOYZFI-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580764486 491744655 /nfs/dbraw/zinc/74/46/55/491744655.db2.gz HCTPNIWXLWQXGX-CRAIPNDOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580764486 491744656 /nfs/dbraw/zinc/74/46/56/491744656.db2.gz HCTPNIWXLWQXGX-CRAIPNDOSA-N 2 1 374.485 0.342 20 0 FCADMP Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000580785948 491745869 /nfs/dbraw/zinc/74/58/69/491745869.db2.gz UEYSBDIVGMCMHJ-CVEARBPZSA-N 2 1 372.473 0.444 20 0 FCADMP Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000580785949 491745971 /nfs/dbraw/zinc/74/59/71/491745971.db2.gz UEYSBDIVGMCMHJ-HOTGVXAUSA-N 2 1 372.473 0.444 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000580840082 491748262 /nfs/dbraw/zinc/74/82/62/491748262.db2.gz RRJFVDWECKJXOS-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000580840082 491748264 /nfs/dbraw/zinc/74/82/64/491748264.db2.gz RRJFVDWECKJXOS-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000580937249 491752107 /nfs/dbraw/zinc/75/21/07/491752107.db2.gz YBTMQBQZXCDKDB-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000580937249 491752108 /nfs/dbraw/zinc/75/21/08/491752108.db2.gz YBTMQBQZXCDKDB-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)cc2)CC1 ZINC000581081103 491758927 /nfs/dbraw/zinc/75/89/27/491758927.db2.gz CSFJVPXMBWVOOE-NRFANRHFSA-N 2 1 372.513 0.621 20 0 FCADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581597036 491779331 /nfs/dbraw/zinc/77/93/31/491779331.db2.gz XXJOBFVKMYIYMY-KRWDZBQOSA-N 2 1 359.474 0.382 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000581839540 491787091 /nfs/dbraw/zinc/78/70/91/491787091.db2.gz LSOGUPFFAUHFSY-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000582414631 491811395 /nfs/dbraw/zinc/81/13/95/491811395.db2.gz QRRXXLZTFOWGDN-OALUTQOASA-N 2 1 370.497 0.789 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582418814 491811639 /nfs/dbraw/zinc/81/16/39/491811639.db2.gz RWGGNXPUBOEVHJ-SFHVURJKSA-N 2 1 373.501 0.135 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@H]21 ZINC000582846037 491829110 /nfs/dbraw/zinc/82/91/10/491829110.db2.gz UVSIKWDPIOPUPP-GVDBMIGSSA-N 2 1 350.507 0.955 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)c2cccs2)CC1 ZINC000583259628 491841063 /nfs/dbraw/zinc/84/10/63/491841063.db2.gz IVWWGHUSICVUHR-HZPDHXFCSA-N 2 1 366.531 0.921 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000583379070 491843637 /nfs/dbraw/zinc/84/36/37/491843637.db2.gz DGSOSPGMPJRNOZ-INIZCTEOSA-N 2 1 362.478 0.090 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)CN)C1 ZINC000583576553 491847911 /nfs/dbraw/zinc/84/79/11/491847911.db2.gz UUXVLVIWUSJUKS-HNNXBMFYSA-N 2 1 368.428 0.472 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000583576553 491847913 /nfs/dbraw/zinc/84/79/13/491847913.db2.gz UUXVLVIWUSJUKS-HNNXBMFYSA-N 2 1 368.428 0.472 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000583806718 491852408 /nfs/dbraw/zinc/85/24/08/491852408.db2.gz VEQIFZZNLVEIBW-KSZLIROESA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000584110098 491858670 /nfs/dbraw/zinc/85/86/70/491858670.db2.gz PLVSNTUPTPHJJQ-HUUCEWRRSA-N 2 1 350.467 0.117 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1[NH3+] ZINC000584226607 491860963 /nfs/dbraw/zinc/86/09/63/491860963.db2.gz CHUWXHHXDCDIIL-LEUOFYLZSA-N 2 1 356.470 0.525 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000611638916 491864549 /nfs/dbraw/zinc/86/45/49/491864549.db2.gz YFIPZKHAVFJDQL-WMLDXEAASA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611638348 491864616 /nfs/dbraw/zinc/86/46/16/491864616.db2.gz SKRCDUDSNNNULR-FRFSOERESA-N 2 1 364.490 0.097 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000611672615 491866667 /nfs/dbraw/zinc/86/66/67/491866667.db2.gz IFQBDSUALVVZSY-PBHICJAKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611672615 491866669 /nfs/dbraw/zinc/86/66/69/491866669.db2.gz IFQBDSUALVVZSY-PBHICJAKSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000595264400 491909229 /nfs/dbraw/zinc/90/92/29/491909229.db2.gz MVKYMUSIMDJKAF-HZPDHXFCSA-N 2 1 372.473 0.444 20 0 FCADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310774 491916418 /nfs/dbraw/zinc/91/64/18/491916418.db2.gz FKIBARZMWWSKIP-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CN1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(F)(F)F ZINC000612463966 491921012 /nfs/dbraw/zinc/92/10/12/491921012.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 1 350.385 0.338 20 0 FCADMP CN1CCC[C@@H]1C(=O)NC[C@H](NC(=O)[C@H]1CCCN1C)C(F)(F)F ZINC000612463966 491921014 /nfs/dbraw/zinc/92/10/14/491921014.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 1 350.385 0.338 20 0 FCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1C(=O)CCC1=O ZINC000601472932 491925135 /nfs/dbraw/zinc/92/51/35/491925135.db2.gz AJSULZAVEYCUBU-DZGCQCFKSA-N 2 1 350.463 0.151 20 0 FCADMP C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472932 491925139 /nfs/dbraw/zinc/92/51/39/491925139.db2.gz AJSULZAVEYCUBU-DZGCQCFKSA-N 2 1 350.463 0.151 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542469 491930436 /nfs/dbraw/zinc/93/04/36/491930436.db2.gz IVCDHYDCBXZTOR-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542469 491930439 /nfs/dbraw/zinc/93/04/39/491930439.db2.gz IVCDHYDCBXZTOR-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542469 491930441 /nfs/dbraw/zinc/93/04/41/491930441.db2.gz IVCDHYDCBXZTOR-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000612591248 491935664 /nfs/dbraw/zinc/93/56/64/491935664.db2.gz INCMNVNNYUNNBY-DLBZAZTESA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000612599467 491937714 /nfs/dbraw/zinc/93/77/14/491937714.db2.gz WAEWVJYKVXPJKF-KRWDZBQOSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598866 491937824 /nfs/dbraw/zinc/93/78/24/491937824.db2.gz KQVFWKDUSARDJI-IAGOWNOFSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598866 491937825 /nfs/dbraw/zinc/93/78/25/491937825.db2.gz KQVFWKDUSARDJI-IAGOWNOFSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598868 491937928 /nfs/dbraw/zinc/93/79/28/491937928.db2.gz KQVFWKDUSARDJI-SJORKVTESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598868 491937930 /nfs/dbraw/zinc/93/79/30/491937930.db2.gz KQVFWKDUSARDJI-SJORKVTESA-N 2 1 366.506 0.155 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000612599468 491938038 /nfs/dbraw/zinc/93/80/38/491938038.db2.gz WAEWVJYKVXPJKF-QGZVFWFLSA-N 2 1 364.490 0.053 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974021 491960698 /nfs/dbraw/zinc/96/06/98/491960698.db2.gz NNLBASVWTANSOS-HUUCEWRRSA-N 2 1 351.495 0.370 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000602125565 491962024 /nfs/dbraw/zinc/96/20/24/491962024.db2.gz ZCBZHQIWXITCGS-SQNIBIBYSA-N 2 1 350.507 0.477 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000615231636 492080343 /nfs/dbraw/zinc/08/03/43/492080343.db2.gz UBURYDFEAPXAJJ-IKGGRYGDSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000615231636 492080344 /nfs/dbraw/zinc/08/03/44/492080344.db2.gz UBURYDFEAPXAJJ-IKGGRYGDSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)CC1=O ZINC000615311478 492085800 /nfs/dbraw/zinc/08/58/00/492085800.db2.gz ZWRSHVBFILTXAD-HZMVEIRTSA-N 2 1 350.507 0.870 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000605876144 492104478 /nfs/dbraw/zinc/10/44/78/492104478.db2.gz DGAAQCWQJVQTCK-QGZVFWFLSA-N 2 1 363.506 0.420 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000599974026 492225221 /nfs/dbraw/zinc/22/52/21/492225221.db2.gz PKFOPOKLSBWWHH-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000610013129 492231539 /nfs/dbraw/zinc/23/15/39/492231539.db2.gz YAPIEYUBEHBRKP-UHFFFAOYSA-N 2 1 369.510 0.392 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000600119192 492246262 /nfs/dbraw/zinc/24/62/62/492246262.db2.gz MQCJEQWAOGUCJZ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000600119192 492246264 /nfs/dbraw/zinc/24/62/64/492246264.db2.gz MQCJEQWAOGUCJZ-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647566835 492312688 /nfs/dbraw/zinc/31/26/88/492312688.db2.gz DISQNGIWVSMIAE-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647566835 492312691 /nfs/dbraw/zinc/31/26/91/492312691.db2.gz DISQNGIWVSMIAE-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627475185 492312771 /nfs/dbraw/zinc/31/27/71/492312771.db2.gz HCXAOIGGEUTCPC-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647567205 492314161 /nfs/dbraw/zinc/31/41/61/492314161.db2.gz NRJMVGHGZZZGBQ-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567205 492314164 /nfs/dbraw/zinc/31/41/64/492314164.db2.gz NRJMVGHGZZZGBQ-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567205 492314169 /nfs/dbraw/zinc/31/41/69/492314169.db2.gz NRJMVGHGZZZGBQ-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567205 492314170 /nfs/dbraw/zinc/31/41/70/492314170.db2.gz NRJMVGHGZZZGBQ-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@@H+](C)C1 ZINC000647568840 492317352 /nfs/dbraw/zinc/31/73/52/492317352.db2.gz UXKDFQJJGZIHPN-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000647568840 492317354 /nfs/dbraw/zinc/31/73/54/492317354.db2.gz UXKDFQJJGZIHPN-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000647568840 492317356 /nfs/dbraw/zinc/31/73/56/492317356.db2.gz UXKDFQJJGZIHPN-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841140 492318039 /nfs/dbraw/zinc/31/80/39/492318039.db2.gz MFDYCGKNOLNEFP-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841140 492318040 /nfs/dbraw/zinc/31/80/40/492318040.db2.gz MFDYCGKNOLNEFP-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641841140 492318042 /nfs/dbraw/zinc/31/80/42/492318042.db2.gz MFDYCGKNOLNEFP-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202161 492327777 /nfs/dbraw/zinc/32/77/77/492327777.db2.gz HIANDHOJNNOYAI-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202161 492327778 /nfs/dbraw/zinc/32/77/78/492327778.db2.gz HIANDHOJNNOYAI-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202161 492327781 /nfs/dbraw/zinc/32/77/81/492327781.db2.gz HIANDHOJNNOYAI-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642189647 492339062 /nfs/dbraw/zinc/33/90/62/492339062.db2.gz DJETXGAIRLQFMA-ZWKOTPCHSA-N 2 1 374.485 0.128 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253891 492346013 /nfs/dbraw/zinc/34/60/13/492346013.db2.gz OXIHOEKIGVPHMD-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642302691 492349473 /nfs/dbraw/zinc/34/94/73/492349473.db2.gz VDCNYJPTTJRASR-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642302682 492349817 /nfs/dbraw/zinc/34/98/17/492349817.db2.gz SPHYWFGFTWWHAW-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000654780364 492351330 /nfs/dbraw/zinc/35/13/30/492351330.db2.gz UAJNGUIJLJLNLM-INIZCTEOSA-N 2 1 368.547 0.484 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642330426 492351723 /nfs/dbraw/zinc/35/17/23/492351723.db2.gz HVRWYVPNQBLDIO-DNVCBOLYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642330388 492351996 /nfs/dbraw/zinc/35/19/96/492351996.db2.gz DAIVEZAVQHSNJQ-QRJUGERDSA-N 2 1 354.495 0.044 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642330443 492352307 /nfs/dbraw/zinc/35/23/07/492352307.db2.gz KIEYYADTZMATMP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000642394719 492357142 /nfs/dbraw/zinc/35/71/42/492357142.db2.gz GDPCRAXODYHYKB-RBSFLKMASA-N 2 1 354.495 0.249 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000642522158 492361178 /nfs/dbraw/zinc/36/11/78/492361178.db2.gz LMZADFOBPYGACZ-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[NH+]1CCOCC1 ZINC000642522293 492361660 /nfs/dbraw/zinc/36/16/60/492361660.db2.gz ZZDQOVKNFZNTJT-INIZCTEOSA-N 2 1 368.522 0.579 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000634709344 492362163 /nfs/dbraw/zinc/36/21/63/492362163.db2.gz HUAOTWDGMMDGFS-WSTZPKSXSA-N 2 1 361.486 0.849 20 0 FCADMP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000634709344 492362175 /nfs/dbraw/zinc/36/21/75/492362175.db2.gz HUAOTWDGMMDGFS-WSTZPKSXSA-N 2 1 361.486 0.849 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814675 492364961 /nfs/dbraw/zinc/36/49/61/492364961.db2.gz ZHUMSHZOJUYHGB-UHFFFAOYSA-N 2 1 366.487 0.879 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)CC1 ZINC000654867217 492365153 /nfs/dbraw/zinc/36/51/53/492365153.db2.gz KAGCFVOFJBYBST-QGZVFWFLSA-N 2 1 363.506 0.419 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642640160 492368099 /nfs/dbraw/zinc/36/80/99/492368099.db2.gz BAQIUCNZFGJPIY-OAGGEKHMSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640623 492368171 /nfs/dbraw/zinc/36/81/71/492368171.db2.gz BXCBWDLAJOSQJP-BZZMCLGOSA-N 2 1 358.486 0.867 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000642640688 492368188 /nfs/dbraw/zinc/36/81/88/492368188.db2.gz ISOVKRBOMSCCRY-FCGDIQPGSA-N 2 1 370.497 0.963 20 0 FCADMP O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640874 492369157 /nfs/dbraw/zinc/36/91/57/492369157.db2.gz HWZPKZGUVXSUTP-GBESFXJTSA-N 2 1 370.497 0.835 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000647835677 492370435 /nfs/dbraw/zinc/37/04/35/492370435.db2.gz IGHIDZSKJQHHAB-UHFFFAOYSA-N 2 1 370.501 0.368 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000647835677 492370437 /nfs/dbraw/zinc/37/04/37/492370437.db2.gz IGHIDZSKJQHHAB-UHFFFAOYSA-N 2 1 370.501 0.368 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000642680473 492372519 /nfs/dbraw/zinc/37/25/19/492372519.db2.gz ISQRBRVLTPIHQH-GFCCVEGCSA-N 2 1 352.401 0.635 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000642680473 492372524 /nfs/dbraw/zinc/37/25/24/492372524.db2.gz ISQRBRVLTPIHQH-GFCCVEGCSA-N 2 1 352.401 0.635 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693280 492374417 /nfs/dbraw/zinc/37/44/17/492374417.db2.gz FRDRSIHIUOTLHA-GFCCVEGCSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000642693280 492374420 /nfs/dbraw/zinc/37/44/20/492374420.db2.gz FRDRSIHIUOTLHA-GFCCVEGCSA-N 2 1 350.488 0.479 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000642723171 492379705 /nfs/dbraw/zinc/37/97/05/492379705.db2.gz SVXJDELJKCVMOA-UHFFFAOYSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642732684 492383249 /nfs/dbraw/zinc/38/32/49/492383249.db2.gz OREGKWPICGQPHH-YYIAUSFCSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642750888 492384698 /nfs/dbraw/zinc/38/46/98/492384698.db2.gz PDFITYWDOBVPAJ-IKGGRYGDSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000642759502 492386649 /nfs/dbraw/zinc/38/66/49/492386649.db2.gz DGOLYHNYYWYVIO-LAQRGFTBSA-N 2 1 374.485 0.198 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(N2CCCC2)[nH+]1 ZINC000642778643 492388458 /nfs/dbraw/zinc/38/84/58/492388458.db2.gz ATTVHCAJLUHWQA-HXUWFJFHSA-N 2 1 371.485 0.818 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000642778714 492389364 /nfs/dbraw/zinc/38/93/64/492389364.db2.gz FZANNOXSVXDWJT-IYBDPMFKSA-N 2 1 357.458 0.284 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977327 492390737 /nfs/dbraw/zinc/39/07/37/492390737.db2.gz AAABHPVMUQXVSN-GJZGRUSLSA-N 2 1 355.508 0.410 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000642808935 492396697 /nfs/dbraw/zinc/39/66/97/492396697.db2.gz KKLXLNSGXNBRHR-NVXWUHKLSA-N 2 1 364.465 0.960 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919825 492403596 /nfs/dbraw/zinc/40/35/96/492403596.db2.gz IXKNNSDOBCESNT-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000648130136 492404268 /nfs/dbraw/zinc/40/42/68/492404268.db2.gz KLQRWIQVVIIXME-BBRMVZONSA-N 2 1 356.430 0.608 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958474 492406534 /nfs/dbraw/zinc/40/65/34/492406534.db2.gz AJJZJGUHOZZFOA-ZBFHGGJFSA-N 2 1 366.506 0.693 20 0 FCADMP CC(C)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152468 492408900 /nfs/dbraw/zinc/40/89/00/492408900.db2.gz MBQJPEFDFHSOKJ-QGZVFWFLSA-N 2 1 367.538 0.057 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642988411 492411701 /nfs/dbraw/zinc/41/17/01/492411701.db2.gz WINUTCNHSBKQOZ-NVXWUHKLSA-N 2 1 367.538 0.247 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642988411 492411705 /nfs/dbraw/zinc/41/17/05/492411705.db2.gz WINUTCNHSBKQOZ-NVXWUHKLSA-N 2 1 367.538 0.247 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621837875 492421201 /nfs/dbraw/zinc/42/12/01/492421201.db2.gz SLMVUBPBQXLZRN-HLIPFELVSA-N 2 1 356.470 0.717 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838220 492421596 /nfs/dbraw/zinc/42/15/96/492421596.db2.gz ABEXMXMCBPGSPU-XLIONFOSSA-N 2 1 358.486 0.965 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845809 492426103 /nfs/dbraw/zinc/42/61/03/492426103.db2.gz PTEOCZKXXRJLHT-HNAYVOBHSA-N 2 1 362.449 0.714 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000655596004 492461915 /nfs/dbraw/zinc/46/19/15/492461915.db2.gz WVRAJFMLXCDPNB-MRXNPFEDSA-N 2 1 353.511 0.762 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478107 /nfs/dbraw/zinc/47/81/07/492478107.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478112 /nfs/dbraw/zinc/47/81/12/492478112.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478114 /nfs/dbraw/zinc/47/81/14/492478114.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 2 1 352.523 0.807 20 0 FCADMP O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000643490698 492480080 /nfs/dbraw/zinc/48/00/80/492480080.db2.gz IXGYRQXDFOALMB-ROUUACIJSA-N 2 1 362.518 0.779 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498005 492482414 /nfs/dbraw/zinc/48/24/14/492482414.db2.gz DOPVBBICFXPNKO-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498005 492482418 /nfs/dbraw/zinc/48/24/18/492482418.db2.gz DOPVBBICFXPNKO-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643511469 492485151 /nfs/dbraw/zinc/48/51/51/492485151.db2.gz WYKHEPQPTFRAOQ-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643511469 492485156 /nfs/dbraw/zinc/48/51/56/492485156.db2.gz WYKHEPQPTFRAOQ-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000643531879 492492501 /nfs/dbraw/zinc/49/25/01/492492501.db2.gz RFVJRLFMBOEXJA-FXAWDEMLSA-N 2 1 358.486 0.917 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635703454 492494298 /nfs/dbraw/zinc/49/42/98/492494298.db2.gz LFMQZFQWAWYSEK-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000643540901 492494797 /nfs/dbraw/zinc/49/47/97/492494797.db2.gz PFYJTRGFERELRR-SOLBZPMBSA-N 2 1 358.486 0.915 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643567604 492499875 /nfs/dbraw/zinc/49/98/75/492499875.db2.gz XOJUIBXNLIDIDM-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655976134 492499946 /nfs/dbraw/zinc/49/99/46/492499946.db2.gz ZMKRDQKESGFKAH-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000643585843 492500892 /nfs/dbraw/zinc/50/08/92/492500892.db2.gz XRGIRMXWMAWWJH-JFIYKMOQSA-N 2 1 358.486 0.928 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594270 492503807 /nfs/dbraw/zinc/50/38/07/492503807.db2.gz XLUWQXLQONKZFC-MLHJIOFPSA-N 2 1 362.518 0.920 20 0 FCADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000635780204 492504867 /nfs/dbraw/zinc/50/48/67/492504867.db2.gz UBTNHEINKJJJBC-QGZVFWFLSA-N 2 1 351.491 0.689 20 0 FCADMP [NH3+]CCOCC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000649291778 492523559 /nfs/dbraw/zinc/52/35/59/492523559.db2.gz SDSOJYQKIJRGEA-UHFFFAOYSA-N 2 1 368.409 0.400 20 0 FCADMP CCC(C)(C)N1CCN(C(=O)C(=O)N(C)CCN2CCOCC2)CC1 ZINC000656068694 492530355 /nfs/dbraw/zinc/53/03/55/492530355.db2.gz CQDCWQXAMDJKFT-UHFFFAOYSA-N 2 1 354.495 0.110 20 0 FCADMP C[C@@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000649342267 492540176 /nfs/dbraw/zinc/54/01/76/492540176.db2.gz XJESVCVMPDVWPH-HUUCEWRRSA-N 2 1 362.478 0.576 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649351240 492544535 /nfs/dbraw/zinc/54/45/35/492544535.db2.gz AEGMTCNJZBGBNW-HNNXBMFYSA-N 2 1 350.438 0.300 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC[C@H]1[NH3+] ZINC000649358934 492547202 /nfs/dbraw/zinc/54/72/02/492547202.db2.gz JFDQBBCMBRENHW-WCXIOVBPSA-N 2 1 350.507 0.905 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1=O ZINC000649354743 492547452 /nfs/dbraw/zinc/54/74/52/492547452.db2.gz IOUZZWZIPNHPFN-RDJZCZTQSA-N 2 1 371.485 0.999 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1)N1CC[NH2+]CC1 ZINC000649409068 492551604 /nfs/dbraw/zinc/55/16/04/492551604.db2.gz JPUGNKMYKFHMKS-CQSZACIVSA-N 2 1 356.430 0.775 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)C1)N1CC[NH2+]CC1 ZINC000649409068 492551607 /nfs/dbraw/zinc/55/16/07/492551607.db2.gz JPUGNKMYKFHMKS-CQSZACIVSA-N 2 1 356.430 0.775 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000636289633 492576546 /nfs/dbraw/zinc/57/65/46/492576546.db2.gz XQRBOJOROJLBPW-DLBZAZTESA-N 2 1 351.491 0.953 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000636289637 492576846 /nfs/dbraw/zinc/57/68/46/492576846.db2.gz XQRBOJOROJLBPW-IRXDYDNUSA-N 2 1 351.491 0.953 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623636679 492577115 /nfs/dbraw/zinc/57/71/15/492577115.db2.gz ZINICLOVPNZMDJ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623636679 492577118 /nfs/dbraw/zinc/57/71/18/492577118.db2.gz ZINICLOVPNZMDJ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC000643839519 492582664 /nfs/dbraw/zinc/58/26/64/492582664.db2.gz CFGASGQZFYPGNY-SJORKVTESA-N 2 1 363.506 0.601 20 0 FCADMP C[N@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728589 492587720 /nfs/dbraw/zinc/58/77/20/492587720.db2.gz RODPAWLAFOOMDI-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000623728589 492587723 /nfs/dbraw/zinc/58/77/23/492587723.db2.gz RODPAWLAFOOMDI-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000623728589 492587730 /nfs/dbraw/zinc/58/77/30/492587730.db2.gz RODPAWLAFOOMDI-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728588 492588602 /nfs/dbraw/zinc/58/86/02/492588602.db2.gz RODPAWLAFOOMDI-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000623728588 492588604 /nfs/dbraw/zinc/58/86/04/492588604.db2.gz RODPAWLAFOOMDI-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000623728588 492588605 /nfs/dbraw/zinc/58/86/05/492588605.db2.gz RODPAWLAFOOMDI-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000636464056 492593340 /nfs/dbraw/zinc/59/33/40/492593340.db2.gz RKUAOMHPAHOQBY-INIZCTEOSA-N 2 1 354.495 0.387 20 0 FCADMP COCCOCC[NH+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000649897601 492595878 /nfs/dbraw/zinc/59/58/78/492595878.db2.gz ZITKHQUEMXUMKN-UHFFFAOYSA-N 2 1 370.538 0.256 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000629418150 492624642 /nfs/dbraw/zinc/62/46/42/492624642.db2.gz MVAQWKBBDXEFHL-QGZVFWFLSA-N 2 1 350.507 0.480 20 0 FCADMP O[C@H](C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000629554901 492644272 /nfs/dbraw/zinc/64/42/72/492644272.db2.gz UUIKIDZBDNKVMR-LJQANCHMSA-N 2 1 350.482 0.994 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)CCOCC[NH3+] ZINC000629574452 492651551 /nfs/dbraw/zinc/65/15/51/492651551.db2.gz HPBLGDXRDZLBKY-ZDUSSCGKSA-N 2 1 372.491 0.171 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629574452 492651555 /nfs/dbraw/zinc/65/15/55/492651555.db2.gz HPBLGDXRDZLBKY-ZDUSSCGKSA-N 2 1 372.491 0.171 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629578817 492655716 /nfs/dbraw/zinc/65/57/16/492655716.db2.gz HEADNZZHMVIWMF-KBPBESRZSA-N 2 1 351.447 0.931 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CCOCC[NH3+] ZINC000629580046 492656384 /nfs/dbraw/zinc/65/63/84/492656384.db2.gz SFUIUYWAVQAXED-GJZGRUSLSA-N 2 1 351.447 0.580 20 0 FCADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707092 492663480 /nfs/dbraw/zinc/66/34/80/492663480.db2.gz YICJULYDGDLHNG-IPMKNSEASA-N 2 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707092 492663485 /nfs/dbraw/zinc/66/34/85/492663485.db2.gz YICJULYDGDLHNG-IPMKNSEASA-N 3 1 374.533 0.947 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707092 492663489 /nfs/dbraw/zinc/66/34/89/492663489.db2.gz YICJULYDGDLHNG-IPMKNSEASA-N 3 1 374.533 0.947 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC[C@@H]1[NH3+] ZINC000644226614 492672618 /nfs/dbraw/zinc/67/26/18/492672618.db2.gz OFKRRMYGZHGLAC-GJZGRUSLSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000629812839 492685011 /nfs/dbraw/zinc/68/50/11/492685011.db2.gz UFSNPVOMVLGVQK-ZWKOTPCHSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000629812839 492685015 /nfs/dbraw/zinc/68/50/15/492685015.db2.gz UFSNPVOMVLGVQK-ZWKOTPCHSA-N 2 1 358.486 0.915 20 0 FCADMP CCN1C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000651317227 492741547 /nfs/dbraw/zinc/74/15/47/492741547.db2.gz GQEKPYFKOVXHMJ-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439647 492757808 /nfs/dbraw/zinc/75/78/08/492757808.db2.gz RXYPCLOBHOYUCN-PKOBYXMFSA-N 2 1 370.538 0.976 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630889247 492781878 /nfs/dbraw/zinc/78/18/78/492781878.db2.gz KESGAUSOKABCDY-INIZCTEOSA-N 2 1 364.494 0.117 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCN1CCCS1(=O)=O ZINC000644536938 492782626 /nfs/dbraw/zinc/78/26/26/492782626.db2.gz MXCMJSBRFQANRK-QGZVFWFLSA-N 2 1 355.504 0.495 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCN1CCCS1(=O)=O ZINC000644536938 492782629 /nfs/dbraw/zinc/78/26/29/492782629.db2.gz MXCMJSBRFQANRK-QGZVFWFLSA-N 2 1 355.504 0.495 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625516615 492806833 /nfs/dbraw/zinc/80/68/33/492806833.db2.gz CZVZMAARWHGVOW-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625516615 492806837 /nfs/dbraw/zinc/80/68/37/492806837.db2.gz CZVZMAARWHGVOW-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625516615 492806839 /nfs/dbraw/zinc/80/68/39/492806839.db2.gz CZVZMAARWHGVOW-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625516615 492806843 /nfs/dbraw/zinc/80/68/43/492806843.db2.gz CZVZMAARWHGVOW-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CCn1nncc1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000637298259 492807580 /nfs/dbraw/zinc/80/75/80/492807580.db2.gz IIZPLXCBTGQXTH-HNNXBMFYSA-N 2 1 351.499 0.856 20 0 FCADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874496 492808435 /nfs/dbraw/zinc/80/84/35/492808435.db2.gz WZWLYCHKWOFMKD-UHFFFAOYSA-N 2 1 357.458 0.427 20 0 FCADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637372661 492813216 /nfs/dbraw/zinc/81/32/16/492813216.db2.gz HAGCZOVKSDDAEJ-SFHVURJKSA-N 2 1 373.501 0.852 20 0 FCADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637372661 492813217 /nfs/dbraw/zinc/81/32/17/492813217.db2.gz HAGCZOVKSDDAEJ-SFHVURJKSA-N 2 1 373.501 0.852 20 0 FCADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637372661 492813218 /nfs/dbraw/zinc/81/32/18/492813218.db2.gz HAGCZOVKSDDAEJ-SFHVURJKSA-N 2 1 373.501 0.852 20 0 FCADMP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000637372354 492813569 /nfs/dbraw/zinc/81/35/69/492813569.db2.gz CCKGXXQRYBDAPX-QXULXFAOSA-N 2 1 351.495 0.593 20 0 FCADMP CN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000637372354 492813574 /nfs/dbraw/zinc/81/35/74/492813574.db2.gz CCKGXXQRYBDAPX-QXULXFAOSA-N 2 1 351.495 0.593 20 0 FCADMP CN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000637372354 492813578 /nfs/dbraw/zinc/81/35/78/492813578.db2.gz CCKGXXQRYBDAPX-QXULXFAOSA-N 2 1 351.495 0.593 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000637376185 492816214 /nfs/dbraw/zinc/81/62/14/492816214.db2.gz DXYJIXBRHMFGNS-HOTGVXAUSA-N 2 1 351.495 0.454 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000645008775 492838037 /nfs/dbraw/zinc/83/80/37/492838037.db2.gz XOEAWBLWQUEWQZ-OKZBNKHCSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000658118039 492840632 /nfs/dbraw/zinc/84/06/32/492840632.db2.gz BMVGRXNSIGNZKB-CQSZACIVSA-N 2 1 364.494 0.620 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000631760927 492848376 /nfs/dbraw/zinc/84/83/76/492848376.db2.gz LJMWPCXXUJZFLR-UHFFFAOYSA-N 2 1 359.536 0.846 20 0 FCADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844994 492861515 /nfs/dbraw/zinc/86/15/15/492861515.db2.gz RDGWWXGPLOARGU-KBXCAEBGSA-N 2 1 354.458 0.957 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC([NH2+]CCO)CC3)CC2)c1 ZINC000631862317 492865489 /nfs/dbraw/zinc/86/54/89/492865489.db2.gz HYCYBCRVMBDASU-UHFFFAOYSA-N 2 1 374.529 0.686 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1nccn1C ZINC000625802628 492889374 /nfs/dbraw/zinc/88/93/74/492889374.db2.gz VUIZBULOJSMSFQ-KBMXLJTQSA-N 2 1 363.462 0.261 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)CC1 ZINC000652309568 492908316 /nfs/dbraw/zinc/90/83/16/492908316.db2.gz CUZRMFXOXDBAEP-UHFFFAOYSA-N 2 1 365.522 0.572 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645472879 492911887 /nfs/dbraw/zinc/91/18/87/492911887.db2.gz PZUPFHPUKMDYLM-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000638135133 492914329 /nfs/dbraw/zinc/91/43/29/492914329.db2.gz QHYMZALXVONOAW-MPGHIAIKSA-N 2 1 366.531 0.920 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351247 492914848 /nfs/dbraw/zinc/91/48/48/492914848.db2.gz QQCSHNMVYPSUAF-PXNSSMCTSA-N 2 1 358.486 0.951 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351247 492914851 /nfs/dbraw/zinc/91/48/51/492914851.db2.gz QQCSHNMVYPSUAF-PXNSSMCTSA-N 2 1 358.486 0.951 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638137073 492915255 /nfs/dbraw/zinc/91/52/55/492915255.db2.gz QZAPFRULKQRWAN-UHFFFAOYSA-N 2 1 359.518 0.346 20 0 FCADMP COC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]C1 ZINC000645507826 492915988 /nfs/dbraw/zinc/91/59/88/492915988.db2.gz XHQWWGBRUHKVOM-HXUWFJFHSA-N 2 1 360.502 0.676 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140136 492916735 /nfs/dbraw/zinc/91/67/35/492916735.db2.gz VNSKBBHOKVLLKT-MJGOQNOKSA-N 2 1 360.502 0.803 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658521907 492925691 /nfs/dbraw/zinc/92/56/91/492925691.db2.gz KQLIJCJXAGCLML-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000658521907 492925697 /nfs/dbraw/zinc/92/56/97/492925697.db2.gz KQLIJCJXAGCLML-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638347130 492938325 /nfs/dbraw/zinc/93/83/25/492938325.db2.gz LMYVVXFHJWIWRC-PKOBYXMFSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000638357032 492940660 /nfs/dbraw/zinc/94/06/60/492940660.db2.gz UQYIAQFQTPJKGY-UHFFFAOYSA-N 2 1 360.506 0.488 20 0 FCADMP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000632160823 492940892 /nfs/dbraw/zinc/94/08/92/492940892.db2.gz LEQLKBPHDPKQGX-ROUUACIJSA-N 2 1 372.579 0.760 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652477324 492946112 /nfs/dbraw/zinc/94/61/12/492946112.db2.gz QSJXRKSSMRZVQR-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652477324 492946115 /nfs/dbraw/zinc/94/61/15/492946115.db2.gz QSJXRKSSMRZVQR-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000638748046 492975110 /nfs/dbraw/zinc/97/51/10/492975110.db2.gz GSCCGVFNIZROTF-SJORKVTESA-N 2 1 353.488 0.801 20 0 FCADMP Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)n(C2CC[NH+](C)CC2)n1 ZINC000626426859 492975800 /nfs/dbraw/zinc/97/58/00/492975800.db2.gz OMYHPGCNNQGZPZ-HNNXBMFYSA-N 2 1 350.467 0.646 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638753516 492976865 /nfs/dbraw/zinc/97/68/65/492976865.db2.gz XJGLOOABBPIDDB-WMZOPIPTSA-N 2 1 369.473 0.736 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652666380 492982371 /nfs/dbraw/zinc/98/23/71/492982371.db2.gz FTPINWPJLFTQDS-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H](C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638905398 492985721 /nfs/dbraw/zinc/98/57/21/492985721.db2.gz OLHWJCBTKGNXSI-KDOFPFPSSA-N 2 1 354.458 0.957 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000645925927 492988279 /nfs/dbraw/zinc/98/82/79/492988279.db2.gz ZSIQKQRMRFZIRD-LJQANCHMSA-N 2 1 373.501 0.963 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652682536 492989223 /nfs/dbraw/zinc/98/92/23/492989223.db2.gz MSUSRMVEJUNFKA-IYBDPMFKSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000652697532 492992674 /nfs/dbraw/zinc/99/26/74/492992674.db2.gz HIYPQINQQFIPPA-ARFHVFGLSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000652697532 492992675 /nfs/dbraw/zinc/99/26/75/492992675.db2.gz HIYPQINQQFIPPA-ARFHVFGLSA-N 2 1 358.486 0.832 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708286 492996529 /nfs/dbraw/zinc/99/65/29/492996529.db2.gz PQWSNQCJGMJDGY-DOTOQJQBSA-N 2 1 368.522 0.722 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652708288 492996596 /nfs/dbraw/zinc/99/65/96/492996596.db2.gz PQWSNQCJGMJDGY-RDJZCZTQSA-N 2 1 368.522 0.722 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)c1 ZINC000658714750 493024567 /nfs/dbraw/zinc/02/45/67/493024567.db2.gz RACXFPFDJRRNJC-HXUWFJFHSA-N 2 1 371.485 0.593 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)c1 ZINC000658714750 493024573 /nfs/dbraw/zinc/02/45/73/493024573.db2.gz RACXFPFDJRRNJC-HXUWFJFHSA-N 2 1 371.485 0.593 20 0 FCADMP Cc1nn(C)c(N(C)C)c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000646215682 493028865 /nfs/dbraw/zinc/02/88/65/493028865.db2.gz NCMYUOCFDIRFCF-UHFFFAOYSA-N 2 1 350.511 0.876 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000632559758 493029117 /nfs/dbraw/zinc/02/91/17/493029117.db2.gz NAABEOFFSBFHCX-KRWDZBQOSA-N 2 1 372.579 0.950 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683488 493030550 /nfs/dbraw/zinc/03/05/50/493030550.db2.gz ZYLDYYXHINHVSB-CVEARBPZSA-N 2 1 359.474 0.706 20 0 FCADMP Cc1ncc(CNC(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000639863940 493060289 /nfs/dbraw/zinc/06/02/89/493060289.db2.gz QVHRLOPYFLCFTF-OAHLLOKOSA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ncc(CNC(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000639863940 493060294 /nfs/dbraw/zinc/06/02/94/493060294.db2.gz QVHRLOPYFLCFTF-OAHLLOKOSA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639870939 493061281 /nfs/dbraw/zinc/06/12/81/493061281.db2.gz LPLRTDNMTFJWDR-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000639870939 493061286 /nfs/dbraw/zinc/06/12/86/493061286.db2.gz LPLRTDNMTFJWDR-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH+](C)C[C@H]2CO)CC1 ZINC000639870939 493061287 /nfs/dbraw/zinc/06/12/87/493061287.db2.gz LPLRTDNMTFJWDR-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH+](C)C[C@H]2CO)CC1 ZINC000639870939 493061291 /nfs/dbraw/zinc/06/12/91/493061291.db2.gz LPLRTDNMTFJWDR-FQEVSTJZSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639867118 493061529 /nfs/dbraw/zinc/06/15/29/493061529.db2.gz KBCGRBOCKAMWHM-FQEVSTJZSA-N 2 1 374.529 0.684 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000639867118 493061531 /nfs/dbraw/zinc/06/15/31/493061531.db2.gz KBCGRBOCKAMWHM-FQEVSTJZSA-N 2 1 374.529 0.684 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000626935944 493067648 /nfs/dbraw/zinc/06/76/48/493067648.db2.gz BGOVGDOOPSDFRO-SJORKVTESA-N 2 1 361.490 0.485 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626947982 493069243 /nfs/dbraw/zinc/06/92/43/493069243.db2.gz LKPXBSKBHSEPAA-JYYAWHABSA-N 2 1 363.510 0.978 20 0 FCADMP CCN(CC[NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000626971284 493072211 /nfs/dbraw/zinc/07/22/11/493072211.db2.gz CYGBUJRAINTLJN-KRWDZBQOSA-N 2 1 361.490 0.874 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653117483 493073577 /nfs/dbraw/zinc/07/35/77/493073577.db2.gz MXQGZEXXTQAUQE-ZWKOTPCHSA-N 2 1 362.518 0.920 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000626982236 493074958 /nfs/dbraw/zinc/07/49/58/493074958.db2.gz DDVMICLYPLJNPW-AVGNSLFASA-N 2 1 352.401 0.876 20 0 FCADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985336 493075170 /nfs/dbraw/zinc/07/51/70/493075170.db2.gz DDSNHSKFENHJRV-FUHWJXTLSA-N 2 1 364.490 0.893 20 0 FCADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985336 493075174 /nfs/dbraw/zinc/07/51/74/493075174.db2.gz DDSNHSKFENHJRV-FUHWJXTLSA-N 2 1 364.490 0.893 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000653125634 493075786 /nfs/dbraw/zinc/07/57/86/493075786.db2.gz LEFUJOAWPNWGCO-QGZVFWFLSA-N 2 1 367.925 0.857 20 0 FCADMP O=C(NCC1C[NH2+]C1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000640246443 493089987 /nfs/dbraw/zinc/08/99/87/493089987.db2.gz PMAMVBPLWMRRCT-IBGZPJMESA-N 2 1 357.502 0.808 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000653356872 493099604 /nfs/dbraw/zinc/09/96/04/493099604.db2.gz AENVZNQREVZRNQ-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653365181 493102672 /nfs/dbraw/zinc/10/26/72/493102672.db2.gz NADWUZFUFSAVKP-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627258116 493121107 /nfs/dbraw/zinc/12/11/07/493121107.db2.gz UVAIWANJZRLXJE-GUDVDZBRSA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258116 493121110 /nfs/dbraw/zinc/12/11/10/493121110.db2.gz UVAIWANJZRLXJE-GUDVDZBRSA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258116 493121114 /nfs/dbraw/zinc/12/11/14/493121114.db2.gz UVAIWANJZRLXJE-GUDVDZBRSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCCO1 ZINC000653416748 493127832 /nfs/dbraw/zinc/12/78/32/493127832.db2.gz CUXJRXFFEWSSAF-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCCO1 ZINC000653416749 493127957 /nfs/dbraw/zinc/12/79/57/493127957.db2.gz CUXJRXFFEWSSAF-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633110686 493130979 /nfs/dbraw/zinc/13/09/79/493130979.db2.gz JYBUIPPUBSTQKT-BZSNNMDCSA-N 2 1 356.470 0.335 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311962 493146652 /nfs/dbraw/zinc/14/66/52/493146652.db2.gz LOZHBSMYMYZSGR-YMBUTIGBSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312472 493146736 /nfs/dbraw/zinc/14/67/36/493146736.db2.gz ZKLBQGNKPBUMDL-TWMKSMIVSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627328758 493156560 /nfs/dbraw/zinc/15/65/60/493156560.db2.gz MSZBHXBCMOXLKO-DLBZAZTESA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000627335014 493158960 /nfs/dbraw/zinc/15/89/60/493158960.db2.gz ILMZBYDPHNEGIB-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000659130696 493161893 /nfs/dbraw/zinc/16/18/93/493161893.db2.gz LKXRPMNWGIBSGE-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094156 493162189 /nfs/dbraw/zinc/16/21/89/493162189.db2.gz MCEUIPVERMXUHF-MRXNPFEDSA-N 2 1 361.490 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627343029 493163737 /nfs/dbraw/zinc/16/37/37/493163737.db2.gz WWNKELNPVTVDMZ-BPQIPLTHSA-N 2 1 374.485 0.118 20 0 FCADMP Cc1cccc(CNC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641040794 493163767 /nfs/dbraw/zinc/16/37/67/493163767.db2.gz UPIKOJDQWVIKEK-UHFFFAOYSA-N 2 1 356.474 0.869 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641219881 493183284 /nfs/dbraw/zinc/18/32/84/493183284.db2.gz KCHLWQFHZKJOQT-RBUKOAKNSA-N 2 1 359.474 0.728 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641219881 493183288 /nfs/dbraw/zinc/18/32/88/493183288.db2.gz KCHLWQFHZKJOQT-RBUKOAKNSA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000641219881 493183292 /nfs/dbraw/zinc/18/32/92/493183292.db2.gz KCHLWQFHZKJOQT-RBUKOAKNSA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000641219881 493183293 /nfs/dbraw/zinc/18/32/93/493183293.db2.gz KCHLWQFHZKJOQT-RBUKOAKNSA-N 2 1 359.474 0.728 20 0 FCADMP OC[C@@H]1CCC[N@@H+]1Cc1cn(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230521 493186231 /nfs/dbraw/zinc/18/62/31/493186231.db2.gz SCKMZDIUKKJOCZ-VQTJNVASSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@@H]1CCC[N@H+]1Cc1cn(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230521 493186234 /nfs/dbraw/zinc/18/62/34/493186234.db2.gz SCKMZDIUKKJOCZ-VQTJNVASSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@@H]1CCC[NH+]1Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230521 493186235 /nfs/dbraw/zinc/18/62/35/493186235.db2.gz SCKMZDIUKKJOCZ-VQTJNVASSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@@H]1CCC[NH+]1Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230521 493186238 /nfs/dbraw/zinc/18/62/38/493186238.db2.gz SCKMZDIUKKJOCZ-VQTJNVASSA-N 2 1 371.485 0.872 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000672525149 493191086 /nfs/dbraw/zinc/19/10/86/493191086.db2.gz FITNYXYHVDKZAA-CYBMUJFWSA-N 2 1 350.467 0.091 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672573469 493208930 /nfs/dbraw/zinc/20/89/30/493208930.db2.gz QRKCULZVYDMQBG-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672573469 493208933 /nfs/dbraw/zinc/20/89/33/493208933.db2.gz QRKCULZVYDMQBG-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659570272 493215158 /nfs/dbraw/zinc/21/51/58/493215158.db2.gz HQCQELCCKIFYAP-UHFFFAOYSA-N 2 1 351.495 0.454 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659600631 493219175 /nfs/dbraw/zinc/21/91/75/493219175.db2.gz AYFBPWWXKIVFCR-JKSUJKDBSA-N 2 1 365.522 0.890 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627004 493222923 /nfs/dbraw/zinc/22/29/23/493222923.db2.gz PLALEYDERONBPC-QPIRBTGLSA-N 2 1 357.502 0.935 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627004 493222925 /nfs/dbraw/zinc/22/29/25/493222925.db2.gz PLALEYDERONBPC-QPIRBTGLSA-N 2 1 357.502 0.935 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000666943050 493239559 /nfs/dbraw/zinc/23/95/59/493239559.db2.gz UNXASEAUNQZMNL-HZPDHXFCSA-N 2 1 366.506 0.386 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659679800 493248205 /nfs/dbraw/zinc/24/82/05/493248205.db2.gz DYXGRWPERRSIBW-PMPSAXMXSA-N 2 1 354.495 0.045 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000659682259 493248681 /nfs/dbraw/zinc/24/86/81/493248681.db2.gz IHIBTCSRICRLNC-CABCVRRESA-N 2 1 356.511 0.435 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659682083 493249046 /nfs/dbraw/zinc/24/90/46/493249046.db2.gz GSEKUBAKDKRORP-JKSUJKDBSA-N 2 1 368.522 0.627 20 0 FCADMP CC1(C)CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1CCO ZINC000667014723 493249289 /nfs/dbraw/zinc/24/92/89/493249289.db2.gz KJMUIUXJTLLSOQ-UHFFFAOYSA-N 2 1 360.458 0.186 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000667060359 493255525 /nfs/dbraw/zinc/25/55/25/493255525.db2.gz OOEVAELJLJQCPU-CYBMUJFWSA-N 2 1 369.491 0.482 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000667060359 493255527 /nfs/dbraw/zinc/25/55/27/493255527.db2.gz OOEVAELJLJQCPU-CYBMUJFWSA-N 2 1 369.491 0.482 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000659692063 493256070 /nfs/dbraw/zinc/25/60/70/493256070.db2.gz WSVGYTCHPBTGCQ-CYBMUJFWSA-N 2 1 364.515 0.999 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+]1CCc2sccc2C1 ZINC000659692063 493256073 /nfs/dbraw/zinc/25/60/73/493256073.db2.gz WSVGYTCHPBTGCQ-CYBMUJFWSA-N 2 1 364.515 0.999 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704194 493263699 /nfs/dbraw/zinc/26/36/99/493263699.db2.gz HUTHKBDBLNXWNV-ZWKOTPCHSA-N 2 1 362.518 0.825 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000667262957 493270210 /nfs/dbraw/zinc/27/02/10/493270210.db2.gz QXNUVAZMGPQJIY-SFHVURJKSA-N 2 1 374.485 0.758 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000641668800 493274634 /nfs/dbraw/zinc/27/46/34/493274634.db2.gz DJGCNMSXSGSXDW-SJLPKXTDSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000641668800 493274639 /nfs/dbraw/zinc/27/46/39/493274639.db2.gz DJGCNMSXSGSXDW-SJLPKXTDSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000641668800 493274642 /nfs/dbraw/zinc/27/46/42/493274642.db2.gz DJGCNMSXSGSXDW-SJLPKXTDSA-N 2 1 350.507 0.526 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739456 493280409 /nfs/dbraw/zinc/28/04/09/493280409.db2.gz USXHPLIXALAZLC-DLBZAZTESA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750516 493285947 /nfs/dbraw/zinc/28/59/47/493285947.db2.gz CLUSSCMWCJUTGV-RDJZCZTQSA-N 2 1 361.490 0.619 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667799453 493302791 /nfs/dbraw/zinc/30/27/91/493302791.db2.gz WBBQNNFJGHDYNV-KRWDZBQOSA-N 2 1 372.473 0.498 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673275288 493309584 /nfs/dbraw/zinc/30/95/84/493309584.db2.gz DIYNOVVOFXMAJV-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673275288 493309585 /nfs/dbraw/zinc/30/95/85/493309585.db2.gz DIYNOVVOFXMAJV-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000660028926 493316817 /nfs/dbraw/zinc/31/68/17/493316817.db2.gz YLBUCLZZKHXHLG-OAHLLOKOSA-N 2 1 357.524 0.824 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000673381439 493324192 /nfs/dbraw/zinc/32/41/92/493324192.db2.gz HRCZIIIHVNQBMG-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673381439 493324194 /nfs/dbraw/zinc/32/41/94/493324194.db2.gz HRCZIIIHVNQBMG-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660639008 493369210 /nfs/dbraw/zinc/36/92/10/493369210.db2.gz AZFMCMVIZVNYHG-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660639008 493369213 /nfs/dbraw/zinc/36/92/13/493369213.db2.gz AZFMCMVIZVNYHG-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660639008 493369216 /nfs/dbraw/zinc/36/92/16/493369216.db2.gz AZFMCMVIZVNYHG-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660639008 493369218 /nfs/dbraw/zinc/36/92/18/493369218.db2.gz AZFMCMVIZVNYHG-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660639008 493369221 /nfs/dbraw/zinc/36/92/21/493369221.db2.gz AZFMCMVIZVNYHG-INIZCTEOSA-N 2 1 368.522 0.092 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000668546263 493374161 /nfs/dbraw/zinc/37/41/61/493374161.db2.gz WVYNFSVZBIRKIN-ROUUACIJSA-N 2 1 362.518 0.968 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860982 493388219 /nfs/dbraw/zinc/38/82/19/493388219.db2.gz ADGKJFVZBAFDQU-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660860982 493388221 /nfs/dbraw/zinc/38/82/21/493388221.db2.gz ADGKJFVZBAFDQU-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660860982 493388222 /nfs/dbraw/zinc/38/82/22/493388222.db2.gz ADGKJFVZBAFDQU-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP COC1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000674324423 493408230 /nfs/dbraw/zinc/40/82/30/493408230.db2.gz DACXXBVEXXQCQS-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000668839763 493419048 /nfs/dbraw/zinc/41/90/48/493419048.db2.gz CSWWHSDKQKPDHJ-QGZVFWFLSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000668867739 493425738 /nfs/dbraw/zinc/42/57/38/493425738.db2.gz URHMRLCVTMLLIB-AWEZNQCLSA-N 2 1 364.494 0.339 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000661304869 493425801 /nfs/dbraw/zinc/42/58/01/493425801.db2.gz IEQPNYRWCJLWKJ-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000661304869 493425802 /nfs/dbraw/zinc/42/58/02/493425802.db2.gz IEQPNYRWCJLWKJ-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000661333529 493428620 /nfs/dbraw/zinc/42/86/20/493428620.db2.gz NGQPLEAHZRSZTP-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661675250 493456756 /nfs/dbraw/zinc/45/67/56/493456756.db2.gz YWSADYPTINHBSC-QGZVFWFLSA-N 2 1 359.474 0.671 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277035 493471935 /nfs/dbraw/zinc/47/19/35/493471935.db2.gz BYDBDHRINVUPJD-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277035 493471937 /nfs/dbraw/zinc/47/19/37/493471937.db2.gz BYDBDHRINVUPJD-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277035 493471939 /nfs/dbraw/zinc/47/19/39/493471939.db2.gz BYDBDHRINVUPJD-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277035 493471941 /nfs/dbraw/zinc/47/19/41/493471941.db2.gz BYDBDHRINVUPJD-ZNMIVQPWSA-N 2 1 366.506 0.031 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000675190045 493472717 /nfs/dbraw/zinc/47/27/17/493472717.db2.gz GYQYHBIAUNFKBF-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661985756 493480962 /nfs/dbraw/zinc/48/09/62/493480962.db2.gz XLZVXRVJKGEWPQ-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343573 493482806 /nfs/dbraw/zinc/48/28/06/493482806.db2.gz MWZVQBXUKLJMGZ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343573 493482808 /nfs/dbraw/zinc/48/28/08/493482808.db2.gz MWZVQBXUKLJMGZ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000675536549 493488323 /nfs/dbraw/zinc/48/83/23/493488323.db2.gz SGROIZQNZNIISO-HNNXBMFYSA-N 2 1 353.511 0.522 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000669396713 493502312 /nfs/dbraw/zinc/50/23/12/493502312.db2.gz ZJKNFXOAFXQHQZ-SFHVURJKSA-N 2 1 361.490 0.222 20 0 FCADMP C[NH+](C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568539 493503838 /nfs/dbraw/zinc/50/38/38/493503838.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568539 493503840 /nfs/dbraw/zinc/50/38/40/493503840.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568539 493503843 /nfs/dbraw/zinc/50/38/43/493503843.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 2 1 368.566 0.293 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298022 493504578 /nfs/dbraw/zinc/50/45/78/493504578.db2.gz TVUFDKPNVMTXTQ-HYVNUMGLSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298023 493504933 /nfs/dbraw/zinc/50/49/33/493504933.db2.gz TVUFDKPNVMTXTQ-OIISXLGYSA-N 2 1 350.507 0.810 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662337874 493507826 /nfs/dbraw/zinc/50/78/26/493507826.db2.gz NAGVYSYNJRMFQK-JKSUJKDBSA-N 3 1 360.506 0.520 20 0 FCADMP C[C@H]1CN(CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338482 493507863 /nfs/dbraw/zinc/50/78/63/493507863.db2.gz SASAQAYKUXIJRN-IRXDYDNUSA-N 2 1 362.522 0.719 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000662364907 493509939 /nfs/dbraw/zinc/50/99/39/493509939.db2.gz NJJDLAVXCZUPMN-ZIAGYGMSSA-N 2 1 364.494 0.820 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570335 493511392 /nfs/dbraw/zinc/51/13/92/493511392.db2.gz SPEOGACJWXNDGG-IRXDYDNUSA-N 2 1 364.515 0.892 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000676001469 493517853 /nfs/dbraw/zinc/51/78/53/493517853.db2.gz KIBVWBZSQAWTOH-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462854 493517985 /nfs/dbraw/zinc/51/79/85/493517985.db2.gz OYERRJTVSVBEBT-HKUYNNGSSA-N 2 1 358.486 0.744 20 0 FCADMP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000662465694 493518587 /nfs/dbraw/zinc/51/85/87/493518587.db2.gz YAJKKQBADIJGLN-AWEZNQCLSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000662465694 493518589 /nfs/dbraw/zinc/51/85/89/493518589.db2.gz YAJKKQBADIJGLN-AWEZNQCLSA-N 2 1 350.467 0.385 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC000662733752 493536172 /nfs/dbraw/zinc/53/61/72/493536172.db2.gz MOBVBZKULWLGDX-QGZVFWFLSA-N 2 1 358.486 0.469 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750103 493536916 /nfs/dbraw/zinc/53/69/16/493536916.db2.gz PRILNAZLHVRVCL-BMGDILEWSA-N 2 1 363.458 0.758 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750103 493536917 /nfs/dbraw/zinc/53/69/17/493536917.db2.gz PRILNAZLHVRVCL-BMGDILEWSA-N 2 1 363.458 0.758 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000662752732 493538073 /nfs/dbraw/zinc/53/80/73/493538073.db2.gz JPABIAUXRYPBNW-INIZCTEOSA-N 2 1 371.441 0.548 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000662752732 493538075 /nfs/dbraw/zinc/53/80/75/493538075.db2.gz JPABIAUXRYPBNW-INIZCTEOSA-N 2 1 371.441 0.548 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662801560 493543321 /nfs/dbraw/zinc/54/33/21/493543321.db2.gz WEUGYJZUEVNOCJ-ROUUACIJSA-N 2 1 360.458 0.653 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676308439 493544727 /nfs/dbraw/zinc/54/47/27/493544727.db2.gz WWZLRDWGVCXNQX-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676308439 493544729 /nfs/dbraw/zinc/54/47/29/493544729.db2.gz WWZLRDWGVCXNQX-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676308439 493544731 /nfs/dbraw/zinc/54/47/31/493544731.db2.gz WWZLRDWGVCXNQX-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676308439 493544732 /nfs/dbraw/zinc/54/47/32/493544732.db2.gz WWZLRDWGVCXNQX-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676310125 493544773 /nfs/dbraw/zinc/54/47/73/493544773.db2.gz PEFPPHCXNBBJOT-UHFFFAOYSA-N 2 1 362.478 0.668 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662860118 493547317 /nfs/dbraw/zinc/54/73/17/493547317.db2.gz QMAPISHQDOXPHC-DLBZAZTESA-N 2 1 370.457 0.309 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000662913929 493552868 /nfs/dbraw/zinc/55/28/68/493552868.db2.gz VFQOKBVTDKXBBQ-IAGOWNOFSA-N 2 1 373.501 0.721 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000662914295 493552989 /nfs/dbraw/zinc/55/29/89/493552989.db2.gz ZNDXEZMPYTXTQD-BZUAXINKSA-N 2 1 374.489 0.576 20 0 FCADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662927401 493554554 /nfs/dbraw/zinc/55/45/54/493554554.db2.gz YCMNYGUIPVKILK-GOSISDBHSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000662929127 493554678 /nfs/dbraw/zinc/55/46/78/493554678.db2.gz ZDFYREHVCPDBRR-RBSFLKMASA-N 2 1 354.495 0.282 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946842 493559188 /nfs/dbraw/zinc/55/91/88/493559188.db2.gz DEENMCNPEMHWPG-OALUTQOASA-N 2 1 372.513 0.972 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000662953554 493559817 /nfs/dbraw/zinc/55/98/17/493559817.db2.gz KHAKSASESKBNSK-ZWKOTPCHSA-N 2 1 358.486 0.569 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662950532 493559975 /nfs/dbraw/zinc/55/99/75/493559975.db2.gz MRBNFLBHGRIRFM-QRQLOZEOSA-N 2 1 372.513 0.958 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662951079 493560068 /nfs/dbraw/zinc/56/00/68/493560068.db2.gz HYERNXVLSGPFEV-MOPGFXCFSA-N 2 1 372.513 0.830 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662954221 493560557 /nfs/dbraw/zinc/56/05/57/493560557.db2.gz SXMVTPAQIGVTBY-UHOSZYNNSA-N 2 1 372.513 0.958 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662972221 493562626 /nfs/dbraw/zinc/56/26/26/493562626.db2.gz ASZWIUULARTFMJ-QGZVFWFLSA-N 2 1 360.502 0.958 20 0 FCADMP CS(=O)(=O)C1(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH2+]CC1 ZINC000663004829 493565867 /nfs/dbraw/zinc/56/58/67/493565867.db2.gz RXNFIOSOKPXJRW-OAHLLOKOSA-N 2 1 357.520 0.391 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432432 493566337 /nfs/dbraw/zinc/56/63/37/493566337.db2.gz NQKGTJLNFWHLOA-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670432432 493566338 /nfs/dbraw/zinc/56/63/38/493566338.db2.gz NQKGTJLNFWHLOA-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670432432 493566340 /nfs/dbraw/zinc/56/63/40/493566340.db2.gz NQKGTJLNFWHLOA-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000670671409 493587290 /nfs/dbraw/zinc/58/72/90/493587290.db2.gz CMAQKEFXALKZCB-IAGOWNOFSA-N 2 1 368.522 0.448 20 0 FCADMP c1nc2nc(=N[C@@H]3CC[NH+](C4CC4)C3)cc(N[C@H]3CC[N@H+](C4CC4)C3)n2[nH]1 ZINC000663425496 493588186 /nfs/dbraw/zinc/58/81/86/493588186.db2.gz RCSQGAKTBDACFN-KGLIPLIRSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@@H]3CC[N@@H+](C4CC4)C3)cc(N[C@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425496 493588189 /nfs/dbraw/zinc/58/81/89/493588189.db2.gz RCSQGAKTBDACFN-KGLIPLIRSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@@H]3CC[N@H+](C4CC4)C3)cc(N[C@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425496 493588191 /nfs/dbraw/zinc/58/81/91/493588191.db2.gz RCSQGAKTBDACFN-KGLIPLIRSA-N 2 1 368.489 0.843 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)[C@@H](C)C2)CC1=O ZINC000677175775 493588187 /nfs/dbraw/zinc/58/81/87/493588187.db2.gz JODGYIXRTRZYIL-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)[C@@H](C)C2)CC1=O ZINC000677175775 493588188 /nfs/dbraw/zinc/58/81/88/493588188.db2.gz JODGYIXRTRZYIL-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CC1=O ZINC000677175775 493588190 /nfs/dbraw/zinc/58/81/90/493588190.db2.gz JODGYIXRTRZYIL-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670804569 493598709 /nfs/dbraw/zinc/59/87/09/493598709.db2.gz LMIKUXSDBDGLAG-IRXDYDNUSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663581075 493601447 /nfs/dbraw/zinc/60/14/47/493601447.db2.gz ZVEACBNNGJUFOG-SFHVURJKSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663612454 493603978 /nfs/dbraw/zinc/60/39/78/493603978.db2.gz HMJKTPSUGUYHMQ-LIRRHRJNSA-N 2 1 360.458 0.887 20 0 FCADMP O=C(NCc1ccc(N2CCCC2)nc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670890777 493609515 /nfs/dbraw/zinc/60/95/15/493609515.db2.gz ZOUCJNCXKMDURX-KRWDZBQOSA-N 2 1 371.485 0.899 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670895275 493609757 /nfs/dbraw/zinc/60/97/57/493609757.db2.gz YLISWCBWWJSHMA-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670895275 493609759 /nfs/dbraw/zinc/60/97/59/493609759.db2.gz YLISWCBWWJSHMA-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000670997867 493622034 /nfs/dbraw/zinc/62/20/34/493622034.db2.gz IPYHASGYLYHQLB-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000671091336 493632042 /nfs/dbraw/zinc/63/20/42/493632042.db2.gz SDPZCNSJEKJBIX-RHSMWYFYSA-N 2 1 362.474 0.200 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671091336 493632043 /nfs/dbraw/zinc/63/20/43/493632043.db2.gz SDPZCNSJEKJBIX-RHSMWYFYSA-N 2 1 362.474 0.200 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671103228 493634538 /nfs/dbraw/zinc/63/45/38/493634538.db2.gz ZWCIVXWHOIAZDQ-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671105919 493634956 /nfs/dbraw/zinc/63/49/56/493634956.db2.gz OTNVBNDSQCECTF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671105919 493634955 /nfs/dbraw/zinc/63/49/55/493634955.db2.gz OTNVBNDSQCECTF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671105919 493634957 /nfs/dbraw/zinc/63/49/57/493634957.db2.gz OTNVBNDSQCECTF-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104575 493635186 /nfs/dbraw/zinc/63/51/86/493635186.db2.gz WEPMBMPKUBKBLT-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107189 493635666 /nfs/dbraw/zinc/63/56/66/493635666.db2.gz GTCNOGWANXTLDY-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000671107189 493635667 /nfs/dbraw/zinc/63/56/67/493635667.db2.gz GTCNOGWANXTLDY-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000671107189 493635669 /nfs/dbraw/zinc/63/56/69/493635669.db2.gz GTCNOGWANXTLDY-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671122981 493639242 /nfs/dbraw/zinc/63/92/42/493639242.db2.gz XFVJTCZUQXXPHI-HNNXBMFYSA-N 2 1 357.458 0.331 20 0 FCADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181079 493648048 /nfs/dbraw/zinc/64/80/48/493648048.db2.gz BOEHQVNCFYITHH-IRXDYDNUSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181079 493648050 /nfs/dbraw/zinc/64/80/50/493648050.db2.gz BOEHQVNCFYITHH-IRXDYDNUSA-N 2 1 364.490 0.053 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000664535398 493666031 /nfs/dbraw/zinc/66/60/31/493666031.db2.gz FVYGZPLOJMFPHN-QGZVFWFLSA-N 2 1 361.490 0.835 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000664535398 493666032 /nfs/dbraw/zinc/66/60/32/493666032.db2.gz FVYGZPLOJMFPHN-QGZVFWFLSA-N 2 1 361.490 0.835 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671404510 493666820 /nfs/dbraw/zinc/66/68/20/493666820.db2.gz BLXBBQVBUKJXIC-UGUYLWEFSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671404510 493666822 /nfs/dbraw/zinc/66/68/22/493666822.db2.gz BLXBBQVBUKJXIC-UGUYLWEFSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671404510 493666823 /nfs/dbraw/zinc/66/68/23/493666823.db2.gz BLXBBQVBUKJXIC-UGUYLWEFSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671404510 493666826 /nfs/dbraw/zinc/66/68/26/493666826.db2.gz BLXBBQVBUKJXIC-UGUYLWEFSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671407595 493667371 /nfs/dbraw/zinc/66/73/71/493667371.db2.gz NFCRVEBFCPULJW-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671407595 493667372 /nfs/dbraw/zinc/66/73/72/493667372.db2.gz NFCRVEBFCPULJW-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671407595 493667373 /nfs/dbraw/zinc/66/73/73/493667373.db2.gz NFCRVEBFCPULJW-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671407595 493667374 /nfs/dbraw/zinc/66/73/74/493667374.db2.gz NFCRVEBFCPULJW-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671407013 493667570 /nfs/dbraw/zinc/66/75/70/493667570.db2.gz SGLIJDDHCUYKJP-DMRKSPOLSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671407013 493667573 /nfs/dbraw/zinc/66/75/73/493667573.db2.gz SGLIJDDHCUYKJP-DMRKSPOLSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671407013 493667576 /nfs/dbraw/zinc/66/75/76/493667576.db2.gz SGLIJDDHCUYKJP-DMRKSPOLSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671407013 493667578 /nfs/dbraw/zinc/66/75/78/493667578.db2.gz SGLIJDDHCUYKJP-DMRKSPOLSA-N 2 1 368.522 0.304 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380484 493678028 /nfs/dbraw/zinc/67/80/28/493678028.db2.gz IPBFHJRMKHRZRW-YESZJQIVSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380484 493678029 /nfs/dbraw/zinc/67/80/29/493678029.db2.gz IPBFHJRMKHRZRW-YESZJQIVSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000679380484 493678030 /nfs/dbraw/zinc/67/80/30/493678030.db2.gz IPBFHJRMKHRZRW-YESZJQIVSA-N 2 1 365.522 0.700 20 0 FCADMP O=C(NCC1(N2CCOCC2)CC1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000664760791 493681746 /nfs/dbraw/zinc/68/17/46/493681746.db2.gz XFJFWFUPMARENZ-KRWDZBQOSA-N 2 1 366.506 0.748 20 0 FCADMP C[C@H](CCN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778924 493683159 /nfs/dbraw/zinc/68/31/59/493683159.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@H](CCN1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778924 493683161 /nfs/dbraw/zinc/68/31/61/493683161.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@H](CCN1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778924 493683163 /nfs/dbraw/zinc/68/31/63/493683163.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@H](CC[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000664778924 493683166 /nfs/dbraw/zinc/68/31/66/493683166.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@H](CC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000664778924 493683168 /nfs/dbraw/zinc/68/31/68/493683168.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@H](CC[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000664778924 493683170 /nfs/dbraw/zinc/68/31/70/493683170.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[C@H](CC[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000664778924 493683173 /nfs/dbraw/zinc/68/31/73/493683173.db2.gz XAGGUAIYHOOXTB-OBKDMQGPSA-N 2 1 370.582 0.539 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000664815611 493684716 /nfs/dbraw/zinc/68/47/16/493684716.db2.gz QPYHYDTWQSDANM-KRWDZBQOSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000664815611 493684717 /nfs/dbraw/zinc/68/47/17/493684717.db2.gz QPYHYDTWQSDANM-KRWDZBQOSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000664815611 493684718 /nfs/dbraw/zinc/68/47/18/493684718.db2.gz QPYHYDTWQSDANM-KRWDZBQOSA-N 2 1 367.538 0.253 20 0 FCADMP CCOC(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000679904227 493700184 /nfs/dbraw/zinc/70/01/84/493700184.db2.gz CELABTSTHVYGCK-IAGOWNOFSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671894812 493712391 /nfs/dbraw/zinc/71/23/91/493712391.db2.gz NNBONCVFXUYMRI-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671894812 493712394 /nfs/dbraw/zinc/71/23/94/493712394.db2.gz NNBONCVFXUYMRI-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671894812 493712398 /nfs/dbraw/zinc/71/23/98/493712398.db2.gz NNBONCVFXUYMRI-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671894812 493712401 /nfs/dbraw/zinc/71/24/01/493712401.db2.gz NNBONCVFXUYMRI-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671941237 493716239 /nfs/dbraw/zinc/71/62/39/493716239.db2.gz WFMUDSSFSAYKBK-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000680520105 493722141 /nfs/dbraw/zinc/72/21/41/493722141.db2.gz JTKGGJSIUQHJAT-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665556080 493723181 /nfs/dbraw/zinc/72/31/81/493723181.db2.gz QJKXWOMSLANYDO-HZPDHXFCSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556080 493723183 /nfs/dbraw/zinc/72/31/83/493723183.db2.gz QJKXWOMSLANYDO-HZPDHXFCSA-N 2 1 365.522 0.807 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556080 493723186 /nfs/dbraw/zinc/72/31/86/493723186.db2.gz QJKXWOMSLANYDO-HZPDHXFCSA-N 2 1 365.522 0.807 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010662 493724059 /nfs/dbraw/zinc/72/40/59/493724059.db2.gz XKPAEBLGCSYYKB-GOEBONIOSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672011007 493724602 /nfs/dbraw/zinc/72/46/02/493724602.db2.gz PVMAPNYRWLTFDC-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672013817 493725021 /nfs/dbraw/zinc/72/50/21/493725021.db2.gz NWOVTCIKXPYDBP-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672013817 493725023 /nfs/dbraw/zinc/72/50/23/493725023.db2.gz NWOVTCIKXPYDBP-WBVHZDCISA-N 2 1 368.522 0.402 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304754 493751906 /nfs/dbraw/zinc/75/19/06/493751906.db2.gz JITJHQNYUDNULW-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304754 493751907 /nfs/dbraw/zinc/75/19/07/493751907.db2.gz JITJHQNYUDNULW-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304754 493751909 /nfs/dbraw/zinc/75/19/09/493751909.db2.gz JITJHQNYUDNULW-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308024 493753442 /nfs/dbraw/zinc/75/34/42/493753442.db2.gz WLMCRBSSFMLWSP-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672308024 493753444 /nfs/dbraw/zinc/75/34/44/493753444.db2.gz WLMCRBSSFMLWSP-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672308024 493753446 /nfs/dbraw/zinc/75/34/46/493753446.db2.gz WLMCRBSSFMLWSP-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308022 493753583 /nfs/dbraw/zinc/75/35/83/493753583.db2.gz WLMCRBSSFMLWSP-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672308022 493753585 /nfs/dbraw/zinc/75/35/85/493753585.db2.gz WLMCRBSSFMLWSP-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672308022 493753587 /nfs/dbraw/zinc/75/35/87/493753587.db2.gz WLMCRBSSFMLWSP-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000672310224 493754139 /nfs/dbraw/zinc/75/41/39/493754139.db2.gz KWDZMAWXJIDEEU-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000672310225 493754220 /nfs/dbraw/zinc/75/42/20/493754220.db2.gz KWDZMAWXJIDEEU-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309474 493754378 /nfs/dbraw/zinc/75/43/78/493754378.db2.gz UDOBPPIWAARJNO-MRXNPFEDSA-N 2 1 362.474 0.770 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310250 493754411 /nfs/dbraw/zinc/75/44/11/493754411.db2.gz LTKOOWFGVOWBKI-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@H]1[NH+](C)C ZINC000410529973 534283469 /nfs/dbraw/zinc/28/34/69/534283469.db2.gz VUWCGSKLZKKPKR-GDBMZVCRSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418833017 518180541 /nfs/dbraw/zinc/18/05/41/518180541.db2.gz MUGDRIQRCBXUOW-CVEARBPZSA-N 2 1 366.506 0.394 20 0 FCADMP CC(C)[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@@H](C)[NH3+] ZINC000423390049 534914937 /nfs/dbraw/zinc/91/49/37/534914937.db2.gz VPGABISIYVGMHK-CJNGLKHVSA-N 2 1 350.467 0.215 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419933525 536448958 /nfs/dbraw/zinc/44/89/58/536448958.db2.gz FFNIAIWZKYXYDZ-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172644 536473350 /nfs/dbraw/zinc/47/33/50/536473350.db2.gz SYBRPLLJTZCICW-RHSMWYFYSA-N 2 1 360.458 0.905 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410934683 527730888 /nfs/dbraw/zinc/73/08/88/527730888.db2.gz BQIWCZIFIJHTIR-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410934683 527730892 /nfs/dbraw/zinc/73/08/92/527730892.db2.gz BQIWCZIFIJHTIR-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000410736059 527744776 /nfs/dbraw/zinc/74/47/76/527744776.db2.gz LAELQQHPOKOUFC-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000410736059 527744780 /nfs/dbraw/zinc/74/47/80/527744780.db2.gz LAELQQHPOKOUFC-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410804313 527828730 /nfs/dbraw/zinc/82/87/30/527828730.db2.gz FWUDMZMIGBMSPC-BBWFWOEESA-N 2 1 368.522 0.090 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410804313 527828739 /nfs/dbraw/zinc/82/87/39/527828739.db2.gz FWUDMZMIGBMSPC-BBWFWOEESA-N 2 1 368.522 0.090 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000410804313 527828743 /nfs/dbraw/zinc/82/87/43/527828743.db2.gz FWUDMZMIGBMSPC-BBWFWOEESA-N 2 1 368.522 0.090 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000410804313 527828749 /nfs/dbraw/zinc/82/87/49/527828749.db2.gz FWUDMZMIGBMSPC-BBWFWOEESA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000410704745 527964168 /nfs/dbraw/zinc/96/41/68/527964168.db2.gz SVRFIORVDRPKSM-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000410704745 527964170 /nfs/dbraw/zinc/96/41/70/527964170.db2.gz SVRFIORVDRPKSM-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H]1C ZINC000410704745 527964173 /nfs/dbraw/zinc/96/41/73/527964173.db2.gz SVRFIORVDRPKSM-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H]1C ZINC000410704745 527964179 /nfs/dbraw/zinc/96/41/79/527964179.db2.gz SVRFIORVDRPKSM-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410504175 528122869 /nfs/dbraw/zinc/12/28/69/528122869.db2.gz QNLIUHNVLOXVRX-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000410845492 528144991 /nfs/dbraw/zinc/14/49/91/528144991.db2.gz QYLAUWVXYBDVGP-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410806229 528432472 /nfs/dbraw/zinc/43/24/72/528432472.db2.gz CYNMMJMMZGZILE-UHFFFAOYSA-N 2 1 370.538 0.603 20 0 FCADMP CCN(CCOCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000412420520 528566311 /nfs/dbraw/zinc/56/63/11/528566311.db2.gz AJJPECWDTQBQRY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCOCCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000412420520 528566316 /nfs/dbraw/zinc/56/63/16/528566316.db2.gz AJJPECWDTQBQRY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCOCCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000412420520 528566321 /nfs/dbraw/zinc/56/63/21/528566321.db2.gz AJJPECWDTQBQRY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413218992 528820769 /nfs/dbraw/zinc/82/07/69/528820769.db2.gz CBGKPBWEXMHUHM-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@H+](C)C(C)C)O1 ZINC000189508281 528822522 /nfs/dbraw/zinc/82/25/22/528822522.db2.gz AHNGBRQHMWLNFJ-HZPDHXFCSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410889338 528891029 /nfs/dbraw/zinc/89/10/29/528891029.db2.gz YNFOFDFSRVIDCS-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)N1CC[NH+](C)CC1 ZINC000173911522 529008344 /nfs/dbraw/zinc/00/83/44/529008344.db2.gz JIELMEXMTQKDJW-INIZCTEOSA-N 2 1 365.526 0.838 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413268087 529011376 /nfs/dbraw/zinc/01/13/76/529011376.db2.gz QMEPZKHIXUBCDR-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413268087 529011384 /nfs/dbraw/zinc/01/13/84/529011384.db2.gz QMEPZKHIXUBCDR-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000410848351 529032736 /nfs/dbraw/zinc/03/27/36/529032736.db2.gz YPEYXWYPUPNBRB-KRWDZBQOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000410848351 529032738 /nfs/dbraw/zinc/03/27/38/529032738.db2.gz YPEYXWYPUPNBRB-KRWDZBQOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000411030772 529074126 /nfs/dbraw/zinc/07/41/26/529074126.db2.gz RUGXUDYUTJUGOW-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000411030772 529074127 /nfs/dbraw/zinc/07/41/27/529074127.db2.gz RUGXUDYUTJUGOW-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000411030772 529074132 /nfs/dbraw/zinc/07/41/32/529074132.db2.gz RUGXUDYUTJUGOW-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192002007 529080970 /nfs/dbraw/zinc/08/09/70/529080970.db2.gz TUDKVOOMQCZVKR-OAHLLOKOSA-N 2 1 357.524 0.824 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413296935 529200643 /nfs/dbraw/zinc/20/06/43/529200643.db2.gz RBKFCWUYNHPKDS-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413296935 529200645 /nfs/dbraw/zinc/20/06/45/529200645.db2.gz RBKFCWUYNHPKDS-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413296935 529200647 /nfs/dbraw/zinc/20/06/47/529200647.db2.gz RBKFCWUYNHPKDS-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000410537010 529351164 /nfs/dbraw/zinc/35/11/64/529351164.db2.gz FESCOEIUMWUBPY-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419158189 535075931 /nfs/dbraw/zinc/07/59/31/535075931.db2.gz WFGQHEMCWRTUJL-QFBILLFUSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000419390206 535082501 /nfs/dbraw/zinc/08/25/01/535082501.db2.gz IEUHEMBJZIHKSD-AEFFLSMTSA-N 2 1 370.497 0.760 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000419154726 535082692 /nfs/dbraw/zinc/08/26/92/535082692.db2.gz QLLAEFSRWAIKMM-BBWFWOEESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419385495 535085251 /nfs/dbraw/zinc/08/52/51/535085251.db2.gz CKCNUCZOXDGVGB-QGZVFWFLSA-N 2 1 358.486 0.793 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419386931 535087846 /nfs/dbraw/zinc/08/78/46/535087846.db2.gz FBHLXUHGAPLTPX-QGZVFWFLSA-N 2 1 358.486 0.808 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140570 535115667 /nfs/dbraw/zinc/11/56/67/535115667.db2.gz SNAQWLKCVYPUNW-GJZGRUSLSA-N 2 1 350.467 0.289 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416946581 535141606 /nfs/dbraw/zinc/14/16/06/535141606.db2.gz FYTJKUUHFUNRCL-SJORKVTESA-N 2 1 356.511 0.883 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660094 535186544 /nfs/dbraw/zinc/18/65/44/535186544.db2.gz JNJQXJGOXWMJPT-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000419762058 535190396 /nfs/dbraw/zinc/19/03/96/535190396.db2.gz REOSSSQRLKAONV-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP CCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419231481 535192744 /nfs/dbraw/zinc/19/27/44/535192744.db2.gz RWVFHBXXKBSCOW-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000423533990 535426079 /nfs/dbraw/zinc/42/60/79/535426079.db2.gz ZCIGBTDEENNMME-OAGGEKHMSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000423533990 535426084 /nfs/dbraw/zinc/42/60/84/535426084.db2.gz ZCIGBTDEENNMME-OAGGEKHMSA-N 2 1 354.495 0.141 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513603 535462504 /nfs/dbraw/zinc/46/25/04/535462504.db2.gz ZKNGOCHJDAQQTO-MRXNPFEDSA-N 2 1 361.490 0.039 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424539427 535507568 /nfs/dbraw/zinc/50/75/68/535507568.db2.gz FDJRPGKDJDQCQW-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419168089 535510070 /nfs/dbraw/zinc/51/00/70/535510070.db2.gz JZLMCCXMASQALL-SJLPKXTDSA-N 2 1 360.502 0.781 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419824366 535709683 /nfs/dbraw/zinc/70/96/83/535709683.db2.gz MRAUMLQYQBEXPK-IXDOHACOSA-N 2 1 367.538 0.010 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419822492 535709851 /nfs/dbraw/zinc/70/98/51/535709851.db2.gz LOMDWFVHSODTAN-ZACQAIPSSA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419845633 535826839 /nfs/dbraw/zinc/82/68/39/535826839.db2.gz FCDHLBLTOKRROE-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419845633 535826846 /nfs/dbraw/zinc/82/68/46/535826846.db2.gz FCDHLBLTOKRROE-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419840679 535944175 /nfs/dbraw/zinc/94/41/75/535944175.db2.gz JAMZIQKUFSBLMH-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423376000 536367654 /nfs/dbraw/zinc/36/76/54/536367654.db2.gz IZBJEVWKWLWVFZ-XYJFISCASA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423376000 536367657 /nfs/dbraw/zinc/36/76/57/536367657.db2.gz IZBJEVWKWLWVFZ-XYJFISCASA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000415305818 536368913 /nfs/dbraw/zinc/36/89/13/536368913.db2.gz VODYENKYMPDBFX-WMLDXEAASA-N 2 1 360.458 0.839 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@@H]21 ZINC000414964578 536376580 /nfs/dbraw/zinc/37/65/80/536376580.db2.gz MLDXJCKCJSZFBK-PBHICJAKSA-N 2 1 360.458 0.905 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423684188 536400194 /nfs/dbraw/zinc/40/01/94/536400194.db2.gz QZXRDNJWYJEMEY-MOPGFXCFSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423684188 536400196 /nfs/dbraw/zinc/40/01/96/536400196.db2.gz QZXRDNJWYJEMEY-MOPGFXCFSA-N 2 1 372.513 0.959 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424491814 536416323 /nfs/dbraw/zinc/41/63/23/536416323.db2.gz FXCMHQWHBZLECC-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423307357 536433043 /nfs/dbraw/zinc/43/30/43/536433043.db2.gz MZQIXRCMWMHJPP-ROUUACIJSA-N 2 1 374.485 0.153 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000419769879 536481806 /nfs/dbraw/zinc/48/18/06/536481806.db2.gz WJMAAKHOKBUDTN-MSOLQXFVSA-N 2 1 374.485 0.118 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423453745 536775948 /nfs/dbraw/zinc/77/59/48/536775948.db2.gz YAGKBTKPYRTCBQ-UHFFFAOYSA-N 2 1 354.495 0.015 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424526297 536779490 /nfs/dbraw/zinc/77/94/90/536779490.db2.gz RVMWPQGDEAYCMN-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419730723 536875661 /nfs/dbraw/zinc/87/56/61/536875661.db2.gz QBIJBBWVJWUKRR-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418851028 537108374 /nfs/dbraw/zinc/10/83/74/537108374.db2.gz OSXKUSNAGIIYQM-ZOBUZTSGSA-N 2 1 374.485 0.482 20 0 FCADMP Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164661 546549465 /nfs/dbraw/zinc/54/94/65/546549465.db2.gz GYTRSGLOEZRHNQ-JKSUJKDBSA-N 2 1 367.519 0.790 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000591640614 546596069 /nfs/dbraw/zinc/59/60/69/546596069.db2.gz AFJKDVONPGWBPE-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999577 546682779 /nfs/dbraw/zinc/68/27/79/546682779.db2.gz BFOTYTRVOYQTQA-RRFJBIMHSA-N 2 1 351.447 0.197 20 0 FCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884093 547035330 /nfs/dbraw/zinc/03/53/30/547035330.db2.gz LRXIXWGAGAZPHE-DYVFJYSZSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884093 547035335 /nfs/dbraw/zinc/03/53/35/547035335.db2.gz LRXIXWGAGAZPHE-DYVFJYSZSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000545884093 547035340 /nfs/dbraw/zinc/03/53/40/547035340.db2.gz LRXIXWGAGAZPHE-DYVFJYSZSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000545884093 547035342 /nfs/dbraw/zinc/03/53/42/547035342.db2.gz LRXIXWGAGAZPHE-DYVFJYSZSA-N 2 1 352.504 0.861 20 0 FCADMP COCCn1nnc2c1CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000550190251 547080840 /nfs/dbraw/zinc/08/08/40/547080840.db2.gz SRRPLIGATZELBV-UHFFFAOYSA-N 2 1 350.511 0.699 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550508136 547088909 /nfs/dbraw/zinc/08/89/09/547088909.db2.gz UEXLKOYMXCYOBQ-UHFFFAOYSA-N 2 1 368.547 0.675 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550658343 547094808 /nfs/dbraw/zinc/09/48/08/547094808.db2.gz JWADJXPBASADIM-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000551120259 547126649 /nfs/dbraw/zinc/12/66/49/547126649.db2.gz JTZLSFVBWRMTOV-UHFFFAOYSA-N 2 1 370.563 0.780 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000553542997 547286864 /nfs/dbraw/zinc/28/68/64/547286864.db2.gz OTTTUWCOGFYXQK-OAGGEKHMSA-N 2 1 351.495 0.594 20 0 FCADMP C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000552462002 547381182 /nfs/dbraw/zinc/38/11/82/547381182.db2.gz BQMUNKFEQXXSQF-LLVKDONJSA-N 2 1 359.459 0.865 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CC[NH+](CCCF)CC3)C2)O1 ZINC000949123632 674395302 /nfs/dbraw/zinc/39/53/02/674395302.db2.gz GVMLWZZYIHIEIZ-HZPDHXFCSA-N 2 1 357.470 0.759 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CC[NH+](CCCF)CC3)C2)O1 ZINC000949123632 674395303 /nfs/dbraw/zinc/39/53/03/674395303.db2.gz GVMLWZZYIHIEIZ-HZPDHXFCSA-N 2 1 357.470 0.759 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000950256376 674423757 /nfs/dbraw/zinc/42/37/57/674423757.db2.gz WMVDRQQNNYPYDV-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000950256376 674423758 /nfs/dbraw/zinc/42/37/58/674423758.db2.gz WMVDRQQNNYPYDV-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000950256376 674423759 /nfs/dbraw/zinc/42/37/59/674423759.db2.gz WMVDRQQNNYPYDV-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000950363930 674425625 /nfs/dbraw/zinc/42/56/25/674425625.db2.gz YGDUGCGLTHUFPA-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000950363930 674425629 /nfs/dbraw/zinc/42/56/29/674425629.db2.gz YGDUGCGLTHUFPA-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+](CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCCC1 ZINC000736801196 598526156 /nfs/dbraw/zinc/52/61/56/598526156.db2.gz TWEGSMQWUNHUHF-ZDUSSCGKSA-N 2 1 359.482 0.959 20 0 FCADMP C[N@@H+](CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCCC1 ZINC000736801196 598526158 /nfs/dbraw/zinc/52/61/58/598526158.db2.gz TWEGSMQWUNHUHF-ZDUSSCGKSA-N 2 1 359.482 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000954408228 674496536 /nfs/dbraw/zinc/49/65/36/674496536.db2.gz BLCFUEICHQCVNI-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000954408228 674496537 /nfs/dbraw/zinc/49/65/37/674496537.db2.gz BLCFUEICHQCVNI-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000954408228 674496538 /nfs/dbraw/zinc/49/65/38/674496538.db2.gz BLCFUEICHQCVNI-BFYDXBDKSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)[C@@H]1CCNC1=O ZINC000957716094 674551267 /nfs/dbraw/zinc/55/12/67/674551267.db2.gz TXGXCXKVGOYRJL-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)[C@@H]1CCNC1=O ZINC000957716094 674551268 /nfs/dbraw/zinc/55/12/68/674551268.db2.gz TXGXCXKVGOYRJL-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[C@@H]1CCNC1=O ZINC000957716094 674551271 /nfs/dbraw/zinc/55/12/71/674551271.db2.gz TXGXCXKVGOYRJL-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588570 665732413 /nfs/dbraw/zinc/73/24/13/665732413.db2.gz SMDNIJNVAFKDKJ-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588570 665732415 /nfs/dbraw/zinc/73/24/15/665732415.db2.gz SMDNIJNVAFKDKJ-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588570 665732417 /nfs/dbraw/zinc/73/24/17/665732417.db2.gz SMDNIJNVAFKDKJ-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897641702 665759003 /nfs/dbraw/zinc/75/90/03/665759003.db2.gz ASLYDIOMXNZPHP-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897641702 665759006 /nfs/dbraw/zinc/75/90/06/665759006.db2.gz ASLYDIOMXNZPHP-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000969687461 663188987 /nfs/dbraw/zinc/18/89/87/663188987.db2.gz BWMXDZLIKUEITQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000969687461 663188988 /nfs/dbraw/zinc/18/89/88/663188988.db2.gz BWMXDZLIKUEITQ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891480307 663408679 /nfs/dbraw/zinc/40/86/79/663408679.db2.gz AYIJSFKKDOZBOY-DAYGRLMNSA-N 2 1 351.495 0.513 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891483846 663408887 /nfs/dbraw/zinc/40/88/87/663408887.db2.gz RZJZCVQUCIKOHM-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP [NH3+]CC1(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891563537 663415740 /nfs/dbraw/zinc/41/57/40/663415740.db2.gz IUFSOZOMTDLADI-MRXNPFEDSA-N 2 1 353.511 0.354 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276692 663429074 /nfs/dbraw/zinc/42/90/74/663429074.db2.gz PWEADJKNFRIVOP-OEYIWLLWSA-N 2 1 350.467 0.062 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276692 663429077 /nfs/dbraw/zinc/42/90/77/663429077.db2.gz PWEADJKNFRIVOP-OEYIWLLWSA-N 2 1 350.467 0.062 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847044 663444428 /nfs/dbraw/zinc/44/44/28/663444428.db2.gz DKZRAYYJZKPBSD-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000933847044 663444429 /nfs/dbraw/zinc/44/44/29/663444429.db2.gz DKZRAYYJZKPBSD-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000933847044 663444434 /nfs/dbraw/zinc/44/44/34/663444434.db2.gz DKZRAYYJZKPBSD-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892041746 663469698 /nfs/dbraw/zinc/46/96/98/663469698.db2.gz VBTOOPHXXKLSCF-DLBZAZTESA-N 2 1 355.527 0.600 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097358 663475716 /nfs/dbraw/zinc/47/57/16/663475716.db2.gz NHHKEEWWONNZPZ-IKGGRYGDSA-N 2 1 353.511 0.223 20 0 FCADMP [NH3+]CC[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)F ZINC000892153357 663481959 /nfs/dbraw/zinc/48/19/59/663481959.db2.gz YKKWFVIUERXTCS-KGLIPLIRSA-N 2 1 363.453 0.065 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001038274616 663624813 /nfs/dbraw/zinc/62/48/13/663624813.db2.gz ZRVYJTGTWYZFDO-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001038274616 663624815 /nfs/dbraw/zinc/62/48/15/663624815.db2.gz ZRVYJTGTWYZFDO-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001038274616 663624816 /nfs/dbraw/zinc/62/48/16/663624816.db2.gz ZRVYJTGTWYZFDO-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001038274616 663624817 /nfs/dbraw/zinc/62/48/17/663624817.db2.gz ZRVYJTGTWYZFDO-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCCC2=O)CC[N@H+]1C ZINC001024446338 663943672 /nfs/dbraw/zinc/94/36/72/663943672.db2.gz BOHNLJYVWHKBDM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001024446338 663943673 /nfs/dbraw/zinc/94/36/73/663943673.db2.gz BOHNLJYVWHKBDM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001024446338 663943676 /nfs/dbraw/zinc/94/36/76/663943676.db2.gz BOHNLJYVWHKBDM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000973334321 664100130 /nfs/dbraw/zinc/10/01/30/664100130.db2.gz CFSWRJCMZODDFC-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000973334321 664100131 /nfs/dbraw/zinc/10/01/31/664100131.db2.gz CFSWRJCMZODDFC-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000973334321 664100132 /nfs/dbraw/zinc/10/01/32/664100132.db2.gz CFSWRJCMZODDFC-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000892758056 664137520 /nfs/dbraw/zinc/13/75/20/664137520.db2.gz GWTNHTDGQWAKTE-JKSUJKDBSA-N 2 1 354.495 0.291 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000892760540 664138631 /nfs/dbraw/zinc/13/86/31/664138631.db2.gz UIVGEBFTIMKCEL-JKSUJKDBSA-N 2 1 354.495 0.291 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818445 664195189 /nfs/dbraw/zinc/19/51/89/664195189.db2.gz RDELBAPLDHPGDN-KYFQHEKYSA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO[C@@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818445 664195190 /nfs/dbraw/zinc/19/51/90/664195190.db2.gz RDELBAPLDHPGDN-KYFQHEKYSA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO[C@@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818445 664195192 /nfs/dbraw/zinc/19/51/92/664195192.db2.gz RDELBAPLDHPGDN-KYFQHEKYSA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO[C@@H]4CC4(F)F)C[C@H]32)O1 ZINC001025818445 664195197 /nfs/dbraw/zinc/19/51/97/664195197.db2.gz RDELBAPLDHPGDN-KYFQHEKYSA-N 2 1 359.417 0.176 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)CC[N@H+]1C ZINC000959968402 674604300 /nfs/dbraw/zinc/60/43/00/674604300.db2.gz RKRMAOHUVIXSFY-XJBGLIRHSA-N 2 1 351.882 0.923 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@H]32)CC[NH+]1C ZINC000959968402 674604305 /nfs/dbraw/zinc/60/43/05/674604305.db2.gz RKRMAOHUVIXSFY-XJBGLIRHSA-N 2 1 351.882 0.923 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)CC[NH+]1C ZINC000959968402 674604309 /nfs/dbraw/zinc/60/43/09/674604309.db2.gz RKRMAOHUVIXSFY-XJBGLIRHSA-N 2 1 351.882 0.923 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)CC2(C)C)CC[N@@H+]1C ZINC000974601187 664266514 /nfs/dbraw/zinc/26/65/14/664266514.db2.gz ULGBRPYGZPEEGB-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)CC2(C)C)CC[N@H+]1C ZINC000974601187 664266515 /nfs/dbraw/zinc/26/65/15/664266515.db2.gz ULGBRPYGZPEEGB-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)CC[NH+]1C ZINC000974601187 664266516 /nfs/dbraw/zinc/26/65/16/664266516.db2.gz ULGBRPYGZPEEGB-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)CC[NH+]1C ZINC000974601187 664266520 /nfs/dbraw/zinc/26/65/20/664266520.db2.gz ULGBRPYGZPEEGB-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001026851568 664270941 /nfs/dbraw/zinc/27/09/41/664270941.db2.gz DIEWKSAGYPCFAM-MGPQQGTHSA-N 2 1 350.467 0.414 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001026851568 664270944 /nfs/dbraw/zinc/27/09/44/664270944.db2.gz DIEWKSAGYPCFAM-MGPQQGTHSA-N 2 1 350.467 0.414 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001026853512 664271840 /nfs/dbraw/zinc/27/18/40/664271840.db2.gz JKDYUQWTRNZVIO-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001026916143 664277027 /nfs/dbraw/zinc/27/70/27/664277027.db2.gz BEUJRYBDWDELJJ-UHOFOFEASA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001026916143 664277029 /nfs/dbraw/zinc/27/70/29/664277029.db2.gz BEUJRYBDWDELJJ-UHOFOFEASA-N 2 1 350.463 0.949 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCSC1 ZINC000893418507 664356809 /nfs/dbraw/zinc/35/68/09/664356809.db2.gz YHVYPXXVJRLNMH-UXLLHSPISA-N 2 1 356.536 0.664 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000977813538 664424386 /nfs/dbraw/zinc/42/43/86/664424386.db2.gz FBZOCJWQLWGZRN-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@H](C)C(N)=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982285674 664864575 /nfs/dbraw/zinc/86/45/75/664864575.db2.gz QXVHRXDIZGVUDB-MXQZZYIMSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@H](C)C(N)=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982285674 664864576 /nfs/dbraw/zinc/86/45/76/664864576.db2.gz QXVHRXDIZGVUDB-MXQZZYIMSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+]([C@H](C)C(N)=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982285674 664864579 /nfs/dbraw/zinc/86/45/79/664864579.db2.gz QXVHRXDIZGVUDB-MXQZZYIMSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000982897380 664933005 /nfs/dbraw/zinc/93/30/05/664933005.db2.gz LUCXTKAJXSTSGF-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000982897380 664933006 /nfs/dbraw/zinc/93/30/06/664933006.db2.gz LUCXTKAJXSTSGF-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000982897380 664933008 /nfs/dbraw/zinc/93/30/08/664933008.db2.gz LUCXTKAJXSTSGF-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000982943501 664936146 /nfs/dbraw/zinc/93/61/46/664936146.db2.gz WGIMHCIWTKSDKS-HLLBOEOZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC000983708678 664985283 /nfs/dbraw/zinc/98/52/83/664985283.db2.gz MGAUTDGBUXHZLX-YIDVYQOGSA-N 2 1 357.520 0.246 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC000983708720 664985299 /nfs/dbraw/zinc/98/52/99/664985299.db2.gz MUOUKIIBHIPXSM-WRQOLXDDSA-N 2 1 350.507 0.727 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC000983714336 664985552 /nfs/dbraw/zinc/98/55/52/664985552.db2.gz PYNNDMDOWJIJLG-BTFPBAQTSA-N 2 1 350.463 0.006 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896540967 665092635 /nfs/dbraw/zinc/09/26/35/665092635.db2.gz HDRRZFQFTPRXQD-USXIJHARSA-N 2 1 354.564 0.954 20 0 FCADMP CC(C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000896707937 665103966 /nfs/dbraw/zinc/10/39/66/665103966.db2.gz KHRSTODEOJKCSX-GOSISDBHSA-N 2 1 352.523 0.485 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000984898864 665114425 /nfs/dbraw/zinc/11/44/25/665114425.db2.gz TUUTVJAVOCEIHQ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000984900142 665114725 /nfs/dbraw/zinc/11/47/25/665114725.db2.gz XBLGLFZRONWIJM-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000984900142 665114726 /nfs/dbraw/zinc/11/47/26/665114726.db2.gz XBLGLFZRONWIJM-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000984900142 665114727 /nfs/dbraw/zinc/11/47/27/665114727.db2.gz XBLGLFZRONWIJM-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000728793991 665165942 /nfs/dbraw/zinc/16/59/42/665165942.db2.gz VCZRFGYUFUKDMA-MRXNPFEDSA-N 2 1 369.579 0.831 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985440024 665167354 /nfs/dbraw/zinc/16/73/54/665167354.db2.gz CRXWAYMROJPXCN-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)[C@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000985440024 665167356 /nfs/dbraw/zinc/16/73/56/665167356.db2.gz CRXWAYMROJPXCN-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000985440024 665167357 /nfs/dbraw/zinc/16/73/57/665167357.db2.gz CRXWAYMROJPXCN-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC000985441386 665167924 /nfs/dbraw/zinc/16/79/24/665167924.db2.gz ZAEFFCZJYMRHOG-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC000985441386 665167926 /nfs/dbraw/zinc/16/79/26/665167926.db2.gz ZAEFFCZJYMRHOG-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC000985441386 665167928 /nfs/dbraw/zinc/16/79/28/665167928.db2.gz ZAEFFCZJYMRHOG-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000897441293 665288319 /nfs/dbraw/zinc/28/83/19/665288319.db2.gz BTERQSSTAPMCEO-KZNAEPCWSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000938038911 665312600 /nfs/dbraw/zinc/31/26/00/665312600.db2.gz HKNWRKREWNADRB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000938038911 665312604 /nfs/dbraw/zinc/31/26/04/665312604.db2.gz HKNWRKREWNADRB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000938038911 665312607 /nfs/dbraw/zinc/31/26/07/665312607.db2.gz HKNWRKREWNADRB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905361157 666019021 /nfs/dbraw/zinc/01/90/21/666019021.db2.gz CHAXQCFGSLXKDC-QGZVFWFLSA-N 2 1 353.488 0.971 20 0 FCADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)c2cccs2)CC1 ZINC000905874594 666040430 /nfs/dbraw/zinc/04/04/30/666040430.db2.gz ACLRTTHPKJMTKW-JFIYKMOQSA-N 2 1 369.531 0.529 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000906561100 666056055 /nfs/dbraw/zinc/05/60/55/666056055.db2.gz TYUFGEHBEYIRTP-QGZVFWFLSA-N 2 1 350.507 0.875 20 0 FCADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000906713703 666063342 /nfs/dbraw/zinc/06/33/42/666063342.db2.gz FMULTXCTFALKDC-KRWDZBQOSA-N 2 1 352.523 0.774 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000907457250 666133141 /nfs/dbraw/zinc/13/31/41/666133141.db2.gz RLHUULLSIOSZRK-UHFFFAOYSA-N 2 1 350.511 0.591 20 0 FCADMP Cc1cccc(NCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[nH+]1 ZINC000927486183 666199860 /nfs/dbraw/zinc/19/98/60/666199860.db2.gz GSOBBEOZAFWENZ-UHFFFAOYSA-N 2 1 350.467 0.463 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000910891154 666288932 /nfs/dbraw/zinc/28/89/32/666288932.db2.gz CTNZUJTZEQWHIC-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000910891154 666288935 /nfs/dbraw/zinc/28/89/35/666288935.db2.gz CTNZUJTZEQWHIC-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000910891154 666288937 /nfs/dbraw/zinc/28/89/37/666288937.db2.gz CTNZUJTZEQWHIC-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000910891154 666288940 /nfs/dbraw/zinc/28/89/40/666288940.db2.gz CTNZUJTZEQWHIC-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000910891891 666289008 /nfs/dbraw/zinc/28/90/08/666289008.db2.gz HLJQXEFVPIBJBQ-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000910891891 666289011 /nfs/dbraw/zinc/28/90/11/666289011.db2.gz HLJQXEFVPIBJBQ-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H]1c1cccs1 ZINC000911201465 666322996 /nfs/dbraw/zinc/32/29/96/666322996.db2.gz RJSMRVANMHYYQO-TZMCWYRMSA-N 2 1 350.488 0.855 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C1 ZINC000912731731 666470928 /nfs/dbraw/zinc/47/09/28/666470928.db2.gz CABPDAYOWAPNNT-KRWDZBQOSA-N 2 1 352.523 0.582 20 0 FCADMP CCc1noc(C)c1CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031769207 666497013 /nfs/dbraw/zinc/49/70/13/666497013.db2.gz IDFZOMABGIQGJB-SJKOYZFVSA-N 2 1 350.463 0.813 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884975 666530903 /nfs/dbraw/zinc/53/09/03/666530903.db2.gz XQGAAXXUQLAKKK-ZMSDIMECSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940308151 666545989 /nfs/dbraw/zinc/54/59/89/666545989.db2.gz SKCTYJKKMYTMRT-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940308151 666545991 /nfs/dbraw/zinc/54/59/91/666545991.db2.gz SKCTYJKKMYTMRT-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940308151 666545992 /nfs/dbraw/zinc/54/59/92/666545992.db2.gz SKCTYJKKMYTMRT-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000941217555 666593604 /nfs/dbraw/zinc/59/36/04/666593604.db2.gz IXGBRLFZACIIAB-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000941217555 666593605 /nfs/dbraw/zinc/59/36/05/666593605.db2.gz IXGBRLFZACIIAB-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000941217555 666593606 /nfs/dbraw/zinc/59/36/06/666593606.db2.gz IXGBRLFZACIIAB-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@@H]12 ZINC000991974153 666611102 /nfs/dbraw/zinc/61/11/02/666611102.db2.gz LEKPEZRONXNCHJ-NTDBWNAOSA-N 2 1 351.491 0.999 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CCSC1 ZINC000929465357 666613942 /nfs/dbraw/zinc/61/39/42/666613942.db2.gz PFEORMPIFQBBLC-QGZVFWFLSA-N 2 1 356.536 0.388 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315808 666633206 /nfs/dbraw/zinc/63/32/06/666633206.db2.gz XDFQLJYBYPLZDY-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992315808 666633209 /nfs/dbraw/zinc/63/32/09/666633209.db2.gz XDFQLJYBYPLZDY-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000992315808 666633212 /nfs/dbraw/zinc/63/32/12/666633212.db2.gz XDFQLJYBYPLZDY-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)CC[N@H+]1C ZINC000992402439 666636441 /nfs/dbraw/zinc/63/64/41/666636441.db2.gz XUTPBCBVDUMHMA-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC[NH+]1C ZINC000992402439 666636443 /nfs/dbraw/zinc/63/64/43/666636443.db2.gz XUTPBCBVDUMHMA-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC[NH+]1C ZINC000992402439 666636445 /nfs/dbraw/zinc/63/64/45/666636445.db2.gz XUTPBCBVDUMHMA-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(CCCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H](C)O1 ZINC000913881629 666662079 /nfs/dbraw/zinc/66/20/79/666662079.db2.gz DNNFREFRSKYFDC-BBWFWOEESA-N 2 1 359.536 0.891 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419482194 674768901 /nfs/dbraw/zinc/76/89/01/674768901.db2.gz PYEBPIZHHJJGSU-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCN(CC)C3=O)CC2)CC[N@H+]1C ZINC000996604030 666945201 /nfs/dbraw/zinc/94/52/01/666945201.db2.gz QKPXBBPHIFIYEZ-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712547 666963843 /nfs/dbraw/zinc/96/38/43/666963843.db2.gz QKDVVDWXLFROPZ-CZUORRHYSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712547 666963846 /nfs/dbraw/zinc/96/38/46/666963846.db2.gz QKDVVDWXLFROPZ-CZUORRHYSA-N 2 1 350.467 0.098 20 0 FCADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996721139 666968413 /nfs/dbraw/zinc/96/84/13/666968413.db2.gz XDYAYYZRSYJWPM-BXUZGUMPSA-N 2 1 353.492 0.646 20 0 FCADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996721139 666968414 /nfs/dbraw/zinc/96/84/14/666968414.db2.gz XDYAYYZRSYJWPM-BXUZGUMPSA-N 2 1 353.492 0.646 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000734468589 666969244 /nfs/dbraw/zinc/96/92/44/666969244.db2.gz TUSGLLPLALJZEK-GOSISDBHSA-N 2 1 352.523 0.775 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000998790696 667221567 /nfs/dbraw/zinc/22/15/67/667221567.db2.gz CHVTZLZYANUMRR-XSCHDIRWSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000999188785 667229943 /nfs/dbraw/zinc/22/99/43/667229943.db2.gz CNYMLRIZSBFEJT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC(NC(=S)NC[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000920309208 667234507 /nfs/dbraw/zinc/23/45/07/667234507.db2.gz AIHWFOPWEDRQHT-MRXNPFEDSA-N 2 1 369.579 0.199 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@H]3C)C2)CC[N@@H+]1C ZINC001031681241 667263826 /nfs/dbraw/zinc/26/38/26/667263826.db2.gz KCTFWRSXNHDPRS-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@H]3C)C2)CC[N@H+]1C ZINC001031681241 667263830 /nfs/dbraw/zinc/26/38/30/667263830.db2.gz KCTFWRSXNHDPRS-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031681651 667264165 /nfs/dbraw/zinc/26/41/65/667264165.db2.gz DAEMIYONKUERCR-IIAWOOMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031681651 667264168 /nfs/dbraw/zinc/26/41/68/667264168.db2.gz DAEMIYONKUERCR-IIAWOOMASA-N 2 1 357.520 0.199 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002248314 667526883 /nfs/dbraw/zinc/52/68/83/667526883.db2.gz OUUDOVGASALGOU-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002248314 667526886 /nfs/dbraw/zinc/52/68/86/667526886.db2.gz OUUDOVGASALGOU-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002248314 667526889 /nfs/dbraw/zinc/52/68/89/667526889.db2.gz OUUDOVGASALGOU-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001002530181 667546483 /nfs/dbraw/zinc/54/64/83/667546483.db2.gz UPQIOSMWVYIIIH-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922348719 667642600 /nfs/dbraw/zinc/64/26/00/667642600.db2.gz WVHFCKXFIJIQGV-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922348719 667642603 /nfs/dbraw/zinc/64/26/03/667642603.db2.gz WVHFCKXFIJIQGV-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922348719 667642608 /nfs/dbraw/zinc/64/26/08/667642608.db2.gz WVHFCKXFIJIQGV-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001033092423 667669685 /nfs/dbraw/zinc/66/96/85/667669685.db2.gz SXJSHBGZFRZWTA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001033092423 667669688 /nfs/dbraw/zinc/66/96/88/667669688.db2.gz SXJSHBGZFRZWTA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001033092423 667669692 /nfs/dbraw/zinc/66/96/92/667669692.db2.gz SXJSHBGZFRZWTA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001033839529 667739407 /nfs/dbraw/zinc/73/94/07/667739407.db2.gz TWGLTOHWRZUDHQ-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001033839529 667739410 /nfs/dbraw/zinc/73/94/10/667739410.db2.gz TWGLTOHWRZUDHQ-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001033839529 667739412 /nfs/dbraw/zinc/73/94/12/667739412.db2.gz TWGLTOHWRZUDHQ-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001033839529 667739416 /nfs/dbraw/zinc/73/94/16/667739416.db2.gz TWGLTOHWRZUDHQ-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001034216984 667749695 /nfs/dbraw/zinc/74/96/95/667749695.db2.gz MUDORVGKKHIGPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001034216984 667749701 /nfs/dbraw/zinc/74/97/01/667749701.db2.gz MUDORVGKKHIGPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001034216984 667749706 /nfs/dbraw/zinc/74/97/06/667749706.db2.gz MUDORVGKKHIGPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001034216984 667749716 /nfs/dbraw/zinc/74/97/16/667749716.db2.gz MUDORVGKKHIGPZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324236 667825152 /nfs/dbraw/zinc/82/51/52/667825152.db2.gz QWVWKTINMNMFKT-KRWDZBQOSA-N 3 1 350.507 0.241 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923492599 667841203 /nfs/dbraw/zinc/84/12/03/667841203.db2.gz QBWWYFAWRMEBEJ-UONOGXRCSA-N 2 1 368.503 0.935 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923492601 667841233 /nfs/dbraw/zinc/84/12/33/667841233.db2.gz QBWWYFAWRMEBEJ-ZIAGYGMSSA-N 2 1 368.503 0.935 20 0 FCADMP C[NH+]1CCC(CNC(=S)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000760493459 667851572 /nfs/dbraw/zinc/85/15/72/667851572.db2.gz OKVQMTLEPUHJAD-QGZVFWFLSA-N 2 1 353.580 0.915 20 0 FCADMP O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH2+]CC1 ZINC000923601992 667872434 /nfs/dbraw/zinc/87/24/34/667872434.db2.gz BSBXUDWXNFWXOX-AWEZNQCLSA-N 2 1 358.533 0.700 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000761676980 667893390 /nfs/dbraw/zinc/89/33/90/667893390.db2.gz GBQYCYPVOWFGHU-CVEARBPZSA-N 2 1 354.495 0.384 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CN(C(=O)OC)C1 ZINC000770425673 668192273 /nfs/dbraw/zinc/19/22/73/668192273.db2.gz JRVCGICOXHQECK-OAHLLOKOSA-N 2 1 355.483 0.495 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)COCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783917496 668636887 /nfs/dbraw/zinc/63/68/87/668636887.db2.gz ALPSZBDCNPPXDL-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000790051871 668871129 /nfs/dbraw/zinc/87/11/29/668871129.db2.gz XTRKAYNSPDXBQF-CYBMUJFWSA-N 2 1 357.524 0.824 20 0 FCADMP COCCOC[C@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365117 668875283 /nfs/dbraw/zinc/87/52/83/668875283.db2.gz HMRHADZHYUJIFW-YJBOKZPZSA-N 2 1 353.463 0.845 20 0 FCADMP COCCOC[C@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365117 668875284 /nfs/dbraw/zinc/87/52/84/668875284.db2.gz HMRHADZHYUJIFW-YJBOKZPZSA-N 2 1 353.463 0.845 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000818782853 668945492 /nfs/dbraw/zinc/94/54/92/668945492.db2.gz TUFDKICZGHCKGX-JJTUDDRGSA-N 2 1 352.479 0.137 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000818782853 668945495 /nfs/dbraw/zinc/94/54/95/668945495.db2.gz TUFDKICZGHCKGX-JJTUDDRGSA-N 2 1 352.479 0.137 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000818782853 668945500 /nfs/dbraw/zinc/94/55/00/668945500.db2.gz TUFDKICZGHCKGX-JJTUDDRGSA-N 2 1 352.479 0.137 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCCCC1 ZINC000793728584 668946094 /nfs/dbraw/zinc/94/60/94/668946094.db2.gz VQZWLAIWJBTYDM-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000819214694 668988838 /nfs/dbraw/zinc/98/88/38/668988838.db2.gz FFHGLYGZHRTPDR-ZWKOTPCHSA-N 2 1 350.459 0.991 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000819288140 668994338 /nfs/dbraw/zinc/99/43/38/668994338.db2.gz VMCUGNDNXPOWKX-QGZVFWFLSA-N 2 1 369.531 0.739 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055370 669356477 /nfs/dbraw/zinc/35/64/77/669356477.db2.gz MVGUAQWHNDCAQV-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055373 669356613 /nfs/dbraw/zinc/35/66/13/669356613.db2.gz MVGUAQWHNDCAQV-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000828516707 669648761 /nfs/dbraw/zinc/64/87/61/669648761.db2.gz USPYAZIJHPAONZ-SFHVURJKSA-N 2 1 353.438 0.961 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000841723913 670606263 /nfs/dbraw/zinc/60/62/63/670606263.db2.gz BOMOVXNOPDOQAX-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP CCN(C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843364062 670807018 /nfs/dbraw/zinc/80/70/18/670807018.db2.gz NIFRBEXXFDAOMJ-HUUCEWRRSA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843364062 670807026 /nfs/dbraw/zinc/80/70/26/670807026.db2.gz NIFRBEXXFDAOMJ-HUUCEWRRSA-N 2 1 357.520 0.486 20 0 FCADMP CCCN(C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363594 670807182 /nfs/dbraw/zinc/80/71/82/670807182.db2.gz ATWRFKYHPJWZJL-JKSUJKDBSA-N 2 1 371.547 0.876 20 0 FCADMP CCCN(C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363594 670807195 /nfs/dbraw/zinc/80/71/95/670807195.db2.gz ATWRFKYHPJWZJL-JKSUJKDBSA-N 2 1 371.547 0.876 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843363983 670807232 /nfs/dbraw/zinc/80/72/32/670807232.db2.gz HVCPHTVFEFPZCE-UHFFFAOYSA-N 2 1 352.460 0.348 20 0 FCADMP CCCN(C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363592 670807700 /nfs/dbraw/zinc/80/77/00/670807700.db2.gz ATWRFKYHPJWZJL-HOTGVXAUSA-N 2 1 371.547 0.876 20 0 FCADMP CCCN(C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363592 670807708 /nfs/dbraw/zinc/80/77/08/670807708.db2.gz ATWRFKYHPJWZJL-HOTGVXAUSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364946 670808059 /nfs/dbraw/zinc/80/80/59/670808059.db2.gz WZKPHDGTSUUJIV-OLZOCXBDSA-N 2 1 351.451 0.332 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844179174 670905830 /nfs/dbraw/zinc/90/58/30/670905830.db2.gz REHWEPYFRMTMJG-KSZLIROESA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCSCC1 ZINC000845495420 671012297 /nfs/dbraw/zinc/01/22/97/671012297.db2.gz VBRDAOUXIFVRMU-AWEZNQCLSA-N 2 1 374.551 0.996 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000968015874 675178739 /nfs/dbraw/zinc/17/87/39/675178739.db2.gz SANICWUUGUTARF-ZMSDIMECSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000968015874 675178740 /nfs/dbraw/zinc/17/87/40/675178740.db2.gz SANICWUUGUTARF-ZMSDIMECSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000968015874 675178742 /nfs/dbraw/zinc/17/87/42/675178742.db2.gz SANICWUUGUTARF-ZMSDIMECSA-N 2 1 350.507 0.728 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000852746081 671523203 /nfs/dbraw/zinc/52/32/03/671523203.db2.gz DNBQXFBGTPDWGZ-VGWMRTNUSA-N 2 1 352.479 0.735 20 0 FCADMP CON(CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000856013932 671674176 /nfs/dbraw/zinc/67/41/76/671674176.db2.gz BPWZXLVBSDUIGA-CVEARBPZSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000856013932 671674178 /nfs/dbraw/zinc/67/41/78/671674178.db2.gz BPWZXLVBSDUIGA-CVEARBPZSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000856013932 671674180 /nfs/dbraw/zinc/67/41/80/671674180.db2.gz BPWZXLVBSDUIGA-CVEARBPZSA-N 2 1 354.495 0.851 20 0 FCADMP C[Si](C)(CC[NH+]1CCOC[C@H]1CCO)CC[N@H+]1CCOC[C@H]1CCO ZINC000859216451 671801737 /nfs/dbraw/zinc/80/17/37/671801737.db2.gz JLXATLFCKGUHAF-QZTJIDSGSA-N 2 1 374.598 0.861 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275343 671807398 /nfs/dbraw/zinc/80/73/98/671807398.db2.gz HWKZUGDSAXZHLR-BRSBDYLESA-N 2 1 374.598 0.045 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000861754622 671991551 /nfs/dbraw/zinc/99/15/51/671991551.db2.gz NSYDIGHJBDZELA-ZBFHGGJFSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000861754622 671991552 /nfs/dbraw/zinc/99/15/52/671991552.db2.gz NSYDIGHJBDZELA-ZBFHGGJFSA-N 2 1 364.515 0.526 20 0 FCADMP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753736 675967777 /nfs/dbraw/zinc/96/77/77/675967777.db2.gz XTVXBLHJMPIMLY-IRXDYDNUSA-N 2 1 352.523 0.677 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783559 675973053 /nfs/dbraw/zinc/97/30/53/675973053.db2.gz ZEIRTDFEUOPWLZ-AEFFLSMTSA-N 2 1 350.507 0.561 20 0 FCADMP [NH3+]C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CCOCC1 ZINC000864760266 672209655 /nfs/dbraw/zinc/20/96/55/672209655.db2.gz MTMWRYFXTMZLQD-GVDBMIGSSA-N 2 1 351.491 0.748 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CC4CCC4)C3)O2)O1 ZINC001053617866 675996217 /nfs/dbraw/zinc/99/62/17/675996217.db2.gz IWEUGKQTWVJEGS-DJIMGWMZSA-N 2 1 351.491 0.855 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CC4CCC4)C3)O2)O1 ZINC001053617866 675996218 /nfs/dbraw/zinc/99/62/18/675996218.db2.gz IWEUGKQTWVJEGS-DJIMGWMZSA-N 2 1 351.491 0.855 20 0 FCADMP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866709566 672290717 /nfs/dbraw/zinc/29/07/17/672290717.db2.gz KWSIMPUEHABWFW-XHSDSOJGSA-N 2 1 350.463 0.500 20 0 FCADMP CC(C)CN(C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866709566 672290719 /nfs/dbraw/zinc/29/07/19/672290719.db2.gz KWSIMPUEHABWFW-XHSDSOJGSA-N 2 1 350.463 0.500 20 0 FCADMP O=S(=O)(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000923607220 672425796 /nfs/dbraw/zinc/42/57/96/672425796.db2.gz YPKZTUFPMSBNBI-KRWDZBQOSA-N 2 1 352.504 0.291 20 0 FCADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000923619675 672489389 /nfs/dbraw/zinc/48/93/89/672489389.db2.gz KHBGWNUVMWPBBK-DZGCQCFKSA-N 2 1 358.533 0.871 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141328 672593925 /nfs/dbraw/zinc/59/39/25/672593925.db2.gz FSVKCSYDMPVVMW-SJORKVTESA-N 2 1 351.491 0.716 20 0 FCADMP COC(=O)[C@@]1(C)C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@@H]1C ZINC000872634969 672649940 /nfs/dbraw/zinc/64/99/40/672649940.db2.gz GFFOMXRKUZQTMP-DOPJRALCSA-N 2 1 351.447 0.992 20 0 FCADMP COC(=O)[C@@]1(C)C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@@H]1C ZINC000872634969 672649944 /nfs/dbraw/zinc/64/99/44/672649944.db2.gz GFFOMXRKUZQTMP-DOPJRALCSA-N 2 1 351.447 0.992 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2=CC[N@@H+](CCO)CC2)CC1 ZINC001000691861 676059119 /nfs/dbraw/zinc/05/91/19/676059119.db2.gz BTNLKOFCQCHBTO-MSOLQXFVSA-N 2 1 351.491 0.474 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)O1 ZINC001001533300 676075858 /nfs/dbraw/zinc/07/58/58/676075858.db2.gz QNOILTZBOLDINI-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)O1 ZINC001001533300 676075863 /nfs/dbraw/zinc/07/58/63/676075863.db2.gz QNOILTZBOLDINI-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878589147 673068149 /nfs/dbraw/zinc/06/81/49/673068149.db2.gz FRGVPPPBQCYRFS-MRXNPFEDSA-N 2 1 374.551 0.287 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001051622988 676106654 /nfs/dbraw/zinc/10/66/54/676106654.db2.gz BHGOHFIIENPYCA-XOKHGSTOSA-N 2 1 350.438 0.878 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051680492 676108364 /nfs/dbraw/zinc/10/83/64/676108364.db2.gz NPUWRSJHHMTASZ-IVMMDQJWSA-N 2 1 368.503 0.488 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051680492 676108365 /nfs/dbraw/zinc/10/83/65/676108365.db2.gz NPUWRSJHHMTASZ-IVMMDQJWSA-N 2 1 368.503 0.488 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccsc3)C2)O1 ZINC001051679638 676108403 /nfs/dbraw/zinc/10/84/03/676108403.db2.gz IASGAPMFYUQDHT-VNQPRFMTSA-N 2 1 353.488 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccsc3)C2)O1 ZINC001051679638 676108404 /nfs/dbraw/zinc/10/84/04/676108404.db2.gz IASGAPMFYUQDHT-VNQPRFMTSA-N 2 1 353.488 0.784 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001052042298 676113395 /nfs/dbraw/zinc/11/33/95/676113395.db2.gz ARIVBQPABWVFRO-BPQIPLTHSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001052042298 676113396 /nfs/dbraw/zinc/11/33/96/676113396.db2.gz ARIVBQPABWVFRO-BPQIPLTHSA-N 2 1 350.507 0.334 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624403 676107224 /nfs/dbraw/zinc/10/72/24/676107224.db2.gz PKRXHNGFKDPIDT-HZSPNIEDSA-N 2 1 353.492 0.504 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001052394855 676122946 /nfs/dbraw/zinc/12/29/46/676122946.db2.gz FVQAUUROISJHJF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC001052394855 676122947 /nfs/dbraw/zinc/12/29/47/676122947.db2.gz FVQAUUROISJHJF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC001052394855 676122948 /nfs/dbraw/zinc/12/29/48/676122948.db2.gz FVQAUUROISJHJF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883385697 673372622 /nfs/dbraw/zinc/37/26/22/673372622.db2.gz QWARWNQILFKHRS-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883439365 673375477 /nfs/dbraw/zinc/37/54/77/673375477.db2.gz PTZDIZUQNXLVOL-LVQVYYBASA-N 2 1 351.447 0.582 20 0 FCADMP CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000883448070 673376169 /nfs/dbraw/zinc/37/61/69/673376169.db2.gz TVAPOEIZCQORFP-OAHLLOKOSA-N 2 1 352.504 0.716 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000883898205 673402211 /nfs/dbraw/zinc/40/22/11/673402211.db2.gz VNMZLUBFDVLAJA-KRWDZBQOSA-N 2 1 356.511 0.849 20 0 FCADMP [NH3+][C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413256 673452111 /nfs/dbraw/zinc/45/21/11/673452111.db2.gz NPHHVVWIRZLMSU-LSDHHAIUSA-N 2 1 367.291 0.955 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884523395 673459792 /nfs/dbraw/zinc/45/97/92/673459792.db2.gz WHJJTZQFJOJQOU-UKRRQHHQSA-N 2 1 364.515 0.821 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884523395 673459795 /nfs/dbraw/zinc/45/97/95/673459795.db2.gz WHJJTZQFJOJQOU-UKRRQHHQSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000884522848 673459899 /nfs/dbraw/zinc/45/98/99/673459899.db2.gz JQJIJVCRZUNEHR-BZPMIXESSA-N 2 1 350.488 0.559 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000884522848 673459903 /nfs/dbraw/zinc/45/99/03/673459903.db2.gz JQJIJVCRZUNEHR-BZPMIXESSA-N 2 1 350.488 0.559 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@H+]1C1CC1 ZINC000884553707 673461688 /nfs/dbraw/zinc/46/16/88/673461688.db2.gz FRXWGXLCSMXZFU-GHMZBOCLSA-N 2 1 363.487 0.228 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884555391 673461964 /nfs/dbraw/zinc/46/19/64/673461964.db2.gz QGVCNMASUYKZLB-URBCHYCLSA-N 2 1 362.396 0.181 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884555392 673462008 /nfs/dbraw/zinc/46/20/08/673462008.db2.gz QGVCNMASUYKZLB-WFFHOREQSA-N 2 1 362.396 0.181 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884603289 673465052 /nfs/dbraw/zinc/46/50/52/673465052.db2.gz GMTHQPGFQFJVHP-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1CC1 ZINC000884601646 673465101 /nfs/dbraw/zinc/46/51/01/673465101.db2.gz REOZQJIQHNRDAR-UHFFFAOYSA-N 2 1 351.476 0.087 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000884601694 673465132 /nfs/dbraw/zinc/46/51/32/673465132.db2.gz SPMGCQJOAQWHSM-ZYHUDNBSSA-N 2 1 350.385 0.183 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601473 673465142 /nfs/dbraw/zinc/46/51/42/673465142.db2.gz MDDVBABEAOLVFZ-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884616690 673466392 /nfs/dbraw/zinc/46/63/92/673466392.db2.gz ANCRCQIMWLUTAE-GFCCVEGCSA-N 2 1 365.503 0.477 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884658846 673470370 /nfs/dbraw/zinc/47/03/70/673470370.db2.gz AGXJBLYIGZLTNQ-VXGBXAGGSA-N 2 1 352.401 0.430 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884659491 673470379 /nfs/dbraw/zinc/47/03/79/673470379.db2.gz UEIZWMXQSZPKKX-OAHLLOKOSA-N 2 1 354.495 0.109 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884658845 673470390 /nfs/dbraw/zinc/47/03/90/673470390.db2.gz AGXJBLYIGZLTNQ-RYUDHWBXSA-N 2 1 352.401 0.430 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000884670324 673471299 /nfs/dbraw/zinc/47/12/99/673471299.db2.gz WGQKKYUXSWUVSW-XQHKEYJVSA-N 2 1 362.396 0.325 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884787461 673482352 /nfs/dbraw/zinc/48/23/52/673482352.db2.gz SJOTWGCHHHPDCH-SRVKXCTJSA-N 2 1 350.385 0.183 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884845022 673485898 /nfs/dbraw/zinc/48/58/98/673485898.db2.gz HWGMMOANNGSUTQ-UHFFFAOYSA-N 2 1 362.499 0.114 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000884910697 673490498 /nfs/dbraw/zinc/49/04/98/673490498.db2.gz BSUVROMXVFDFDF-LDKKBFSKSA-N 2 1 354.495 0.236 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000885008924 673497617 /nfs/dbraw/zinc/49/76/17/673497617.db2.gz UIFDKKUBVRKNHR-UUAJXVIYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000885276624 673511384 /nfs/dbraw/zinc/51/13/84/673511384.db2.gz SGVZWPXFNGRTCL-HZSPNIEDSA-N 2 1 360.449 0.584 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285762 673512276 /nfs/dbraw/zinc/51/22/76/673512276.db2.gz SSCXGTQYRHEEQV-KBPBESRZSA-N 2 1 360.449 0.538 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000886837165 673601657 /nfs/dbraw/zinc/60/16/57/673601657.db2.gz BYLMCNBTNZCOLE-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000886837165 673601658 /nfs/dbraw/zinc/60/16/58/673601658.db2.gz BYLMCNBTNZCOLE-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000886837165 673601659 /nfs/dbraw/zinc/60/16/59/673601659.db2.gz BYLMCNBTNZCOLE-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000887068756 673618499 /nfs/dbraw/zinc/61/84/99/673618499.db2.gz RHPJFZMXHDNFPF-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000887068756 673618502 /nfs/dbraw/zinc/61/85/02/673618502.db2.gz RHPJFZMXHDNFPF-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000887079068 673620495 /nfs/dbraw/zinc/62/04/95/673620495.db2.gz JJODXJSFRQOBDB-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000717554564 673627542 /nfs/dbraw/zinc/62/75/42/673627542.db2.gz AEMYGFSKQQLGPL-UHFFFAOYSA-N 2 1 366.531 0.980 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889749501 673684846 /nfs/dbraw/zinc/68/48/46/673684846.db2.gz IGPXJNRRCNHWLW-MSOLQXFVSA-N 2 1 352.523 0.460 20 0 FCADMP C[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890143525 673707901 /nfs/dbraw/zinc/70/79/01/673707901.db2.gz UYFZYQYLXJYIDO-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890143525 673707905 /nfs/dbraw/zinc/70/79/05/673707905.db2.gz UYFZYQYLXJYIDO-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890143525 673707909 /nfs/dbraw/zinc/70/79/09/673707909.db2.gz UYFZYQYLXJYIDO-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925276358 673785179 /nfs/dbraw/zinc/78/51/79/673785179.db2.gz ZAFDHIGWWZSXEH-UONOGXRCSA-N 2 1 365.503 0.519 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927638472 673873571 /nfs/dbraw/zinc/87/35/71/673873571.db2.gz BLMFSEFAHSDWLD-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC000927638472 673873575 /nfs/dbraw/zinc/87/35/75/673873575.db2.gz BLMFSEFAHSDWLD-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@H]1C ZINC000927638472 673873579 /nfs/dbraw/zinc/87/35/79/673873579.db2.gz BLMFSEFAHSDWLD-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927642963 673874982 /nfs/dbraw/zinc/87/49/82/673874982.db2.gz SIXPYMWRQITRSL-DOTOQJQBSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927642963 673874983 /nfs/dbraw/zinc/87/49/83/673874983.db2.gz SIXPYMWRQITRSL-DOTOQJQBSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@@H]1C ZINC000927642963 673874984 /nfs/dbraw/zinc/87/49/84/673874984.db2.gz SIXPYMWRQITRSL-DOTOQJQBSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@@H]1C ZINC000927642963 673874987 /nfs/dbraw/zinc/87/49/87/673874987.db2.gz SIXPYMWRQITRSL-DOTOQJQBSA-N 2 1 354.495 0.602 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000929465884 673957861 /nfs/dbraw/zinc/95/78/61/673957861.db2.gz ZUZQWWWREQLNML-QGZVFWFLSA-N 2 1 365.503 0.472 20 0 FCADMP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000929506804 673959930 /nfs/dbraw/zinc/95/99/30/673959930.db2.gz QBBXRZBXBAHCJN-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929506804 673959933 /nfs/dbraw/zinc/95/99/33/673959933.db2.gz QBBXRZBXBAHCJN-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000929506804 673959935 /nfs/dbraw/zinc/95/99/35/673959935.db2.gz QBBXRZBXBAHCJN-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000929506804 673959937 /nfs/dbraw/zinc/95/99/37/673959937.db2.gz QBBXRZBXBAHCJN-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000929506804 673959939 /nfs/dbraw/zinc/95/99/39/673959939.db2.gz QBBXRZBXBAHCJN-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929509334 673960168 /nfs/dbraw/zinc/96/01/68/673960168.db2.gz JPLGBPBKNUFWGS-DOTOQJQBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000929509334 673960170 /nfs/dbraw/zinc/96/01/70/673960170.db2.gz JPLGBPBKNUFWGS-DOTOQJQBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929509334 673960171 /nfs/dbraw/zinc/96/01/71/673960171.db2.gz JPLGBPBKNUFWGS-DOTOQJQBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929509334 673960173 /nfs/dbraw/zinc/96/01/73/673960173.db2.gz JPLGBPBKNUFWGS-DOTOQJQBSA-N 2 1 350.507 0.776 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000930178797 674004156 /nfs/dbraw/zinc/00/41/56/674004156.db2.gz BCGZFFFOBNJNIS-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000930178797 674004159 /nfs/dbraw/zinc/00/41/59/674004159.db2.gz BCGZFFFOBNJNIS-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000930178797 674004163 /nfs/dbraw/zinc/00/41/63/674004163.db2.gz BCGZFFFOBNJNIS-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000930178797 674004168 /nfs/dbraw/zinc/00/41/68/674004168.db2.gz BCGZFFFOBNJNIS-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP Cc1ncsc1CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019032191 675420052 /nfs/dbraw/zinc/42/00/52/675420052.db2.gz KVYZAVAEKXZYHZ-VHDGCEQUSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1ncsc1CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019032191 675420056 /nfs/dbraw/zinc/42/00/56/675420056.db2.gz KVYZAVAEKXZYHZ-VHDGCEQUSA-N 2 1 352.504 0.904 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H](C)C(N)=O)CC3)CC[N@H+]1C ZINC001040707958 675469134 /nfs/dbraw/zinc/46/91/34/675469134.db2.gz MKGGMAHRAJKBAC-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000900438762 675681965 /nfs/dbraw/zinc/68/19/65/675681965.db2.gz DFSJBIDRGDPAIC-PMPSAXMXSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000900438762 675681968 /nfs/dbraw/zinc/68/19/68/675681968.db2.gz DFSJBIDRGDPAIC-PMPSAXMXSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000900438762 675681970 /nfs/dbraw/zinc/68/19/70/675681970.db2.gz DFSJBIDRGDPAIC-PMPSAXMXSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000900438762 675681971 /nfs/dbraw/zinc/68/19/71/675681971.db2.gz DFSJBIDRGDPAIC-PMPSAXMXSA-N 2 1 353.463 0.241 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612651 675699817 /nfs/dbraw/zinc/69/98/17/675699817.db2.gz MGCNXWCBPCQAGB-HOTGVXAUSA-N 2 1 351.495 0.371 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900693931 675708350 /nfs/dbraw/zinc/70/83/50/675708350.db2.gz BPSOWTDUWVPXBG-MRXNPFEDSA-N 2 1 350.511 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001046329258 675708624 /nfs/dbraw/zinc/70/86/24/675708624.db2.gz NGLLWLGMUNREAA-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001046329258 675708626 /nfs/dbraw/zinc/70/86/26/675708626.db2.gz NGLLWLGMUNREAA-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001046329258 675708627 /nfs/dbraw/zinc/70/86/27/675708627.db2.gz NGLLWLGMUNREAA-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCC3CCCC3)C[C@@H]2O)O1 ZINC001047429032 675799488 /nfs/dbraw/zinc/79/94/88/675799488.db2.gz VYSGELDFELPPOH-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCC3CCCC3)C[C@@H]2O)O1 ZINC001047429032 675799489 /nfs/dbraw/zinc/79/94/89/675799489.db2.gz VYSGELDFELPPOH-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCC3CCCC3)C[C@@H]2O)O1 ZINC001047429032 675799490 /nfs/dbraw/zinc/79/94/90/675799490.db2.gz VYSGELDFELPPOH-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2O)O1 ZINC001047429032 675799491 /nfs/dbraw/zinc/79/94/91/675799491.db2.gz VYSGELDFELPPOH-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528365 675859514 /nfs/dbraw/zinc/85/95/14/675859514.db2.gz VYEVAWTZYJVOGA-NWHWRWDZSA-N 2 1 350.507 0.820 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048528365 675859518 /nfs/dbraw/zinc/85/95/18/675859518.db2.gz VYEVAWTZYJVOGA-NWHWRWDZSA-N 2 1 350.507 0.820 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528365 675859522 /nfs/dbraw/zinc/85/95/22/675859522.db2.gz VYEVAWTZYJVOGA-NWHWRWDZSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897484893 1192186616 /nfs/dbraw/zinc/18/66/16/1192186616.db2.gz YAIRXIFHFJAAIO-SOLBZPMBSA-N 2 1 371.485 0.862 20 0 FCADMP CCc1nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001125304501 1168095888 /nfs/dbraw/zinc/09/58/88/1168095888.db2.gz BXTHFISFHIIRRM-OWCLPIDISA-N 2 1 363.506 0.943 20 0 FCADMP CCc1nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001125304501 1168095897 /nfs/dbraw/zinc/09/58/97/1168095897.db2.gz BXTHFISFHIIRRM-OWCLPIDISA-N 2 1 363.506 0.943 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]21 ZINC001083192581 1168159265 /nfs/dbraw/zinc/15/92/65/1168159265.db2.gz HMYLUXFHLLUXND-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]21 ZINC001083192581 1168159270 /nfs/dbraw/zinc/15/92/70/1168159270.db2.gz HMYLUXFHLLUXND-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083192581 1168159274 /nfs/dbraw/zinc/15/92/74/1168159274.db2.gz HMYLUXFHLLUXND-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083192581 1168159278 /nfs/dbraw/zinc/15/92/78/1168159278.db2.gz HMYLUXFHLLUXND-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001167095934 1168204882 /nfs/dbraw/zinc/20/48/82/1168204882.db2.gz OXGVAHZSYDNOMY-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958901 1168235256 /nfs/dbraw/zinc/23/52/56/1168235256.db2.gz OJABPHGNDZZINW-PBFPGSCMSA-N 2 1 364.494 0.051 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958901 1168235263 /nfs/dbraw/zinc/23/52/63/1168235263.db2.gz OJABPHGNDZZINW-PBFPGSCMSA-N 2 1 364.494 0.051 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)cc1 ZINC001083193676 1168275903 /nfs/dbraw/zinc/27/59/03/1168275903.db2.gz CQQFUKVYPZFZSU-RBUKOAKNSA-N 2 1 361.486 0.698 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]21)[NH+](C)C ZINC001083195838 1168371291 /nfs/dbraw/zinc/37/12/91/1168371291.db2.gz QVHOFYRCYKHNGX-OKZBNKHCSA-N 2 1 363.506 0.752 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]21)[NH+](C)C ZINC001083195838 1168371293 /nfs/dbraw/zinc/37/12/93/1168371293.db2.gz QVHOFYRCYKHNGX-OKZBNKHCSA-N 2 1 363.506 0.752 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@@H]21)[NH+](C)C ZINC001083195903 1168371338 /nfs/dbraw/zinc/37/13/38/1168371338.db2.gz VCWQXTJULPBSQI-OKZBNKHCSA-N 2 1 363.506 0.697 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@@H]21)[NH+](C)C ZINC001083195903 1168371341 /nfs/dbraw/zinc/37/13/41/1168371341.db2.gz VCWQXTJULPBSQI-OKZBNKHCSA-N 2 1 363.506 0.697 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)[C@H]1CCN(C(C)C)C1=O ZINC001266418381 1168424156 /nfs/dbraw/zinc/42/41/56/1168424156.db2.gz XXHFKXONXBZUFI-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104265050 1168847627 /nfs/dbraw/zinc/84/76/27/1168847627.db2.gz QXKNUZJWLLXJKN-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNCc2nc(N(C)C)no2)C1 ZINC001087135172 1169891886 /nfs/dbraw/zinc/89/18/86/1169891886.db2.gz TYXOBQZLGYSOSK-QLFBSQMISA-N 2 1 364.494 0.947 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](CNCc2nc(N(C)C)no2)C1 ZINC001087135171 1169891977 /nfs/dbraw/zinc/89/19/77/1169891977.db2.gz TYXOBQZLGYSOSK-ILXRZTDVSA-N 2 1 364.494 0.947 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001021699286 1169894456 /nfs/dbraw/zinc/89/44/56/1169894456.db2.gz NRXQBTWOMSMUGW-RLFYNMQTSA-N 2 1 371.485 0.772 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001021711767 1169913627 /nfs/dbraw/zinc/91/36/27/1169913627.db2.gz CHYAWJDQUIHIFF-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001021711767 1169913643 /nfs/dbraw/zinc/91/36/43/1169913643.db2.gz CHYAWJDQUIHIFF-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001021711767 1169913650 /nfs/dbraw/zinc/91/36/50/1169913650.db2.gz CHYAWJDQUIHIFF-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001279477116 1170048851 /nfs/dbraw/zinc/04/88/51/1170048851.db2.gz HPSCDMHNOZYAHA-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364227 1170063161 /nfs/dbraw/zinc/06/31/61/1170063161.db2.gz SFDPCSQCWXBZRQ-JKJDWNRSSA-N 2 1 363.462 0.190 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)CC[N@@H+]1C ZINC001021809015 1170085543 /nfs/dbraw/zinc/08/55/43/1170085543.db2.gz OOBDRPWNRDGPRY-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)CC[N@H+]1C ZINC001021809015 1170085546 /nfs/dbraw/zinc/08/55/46/1170085546.db2.gz OOBDRPWNRDGPRY-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022038114 1170455904 /nfs/dbraw/zinc/45/59/04/1170455904.db2.gz IIMVEEKLCXBNTD-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971573159 1170559661 /nfs/dbraw/zinc/55/96/61/1170559661.db2.gz QHKSVCOXFSREQC-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971573159 1170559670 /nfs/dbraw/zinc/55/96/70/1170559670.db2.gz QHKSVCOXFSREQC-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971573159 1170559679 /nfs/dbraw/zinc/55/96/79/1170559679.db2.gz QHKSVCOXFSREQC-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001022109032 1170671312 /nfs/dbraw/zinc/67/13/12/1170671312.db2.gz BQKQSCFOJUNZKX-LJISPDSOSA-N 2 1 363.510 0.895 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001022109497 1170674021 /nfs/dbraw/zinc/67/40/21/1170674021.db2.gz NWOZDBNCJNUIGG-LJISPDSOSA-N 2 1 362.478 0.275 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104375505 1170742430 /nfs/dbraw/zinc/74/24/30/1170742430.db2.gz PKIVTZLJRLYHDZ-HZSPNIEDSA-N 2 1 365.478 0.559 20 0 FCADMP Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC000971718071 1170795531 /nfs/dbraw/zinc/79/55/31/1170795531.db2.gz CUIJFXJFBXZZTA-BZUAXINKSA-N 2 1 357.462 0.954 20 0 FCADMP Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC000971718071 1170795541 /nfs/dbraw/zinc/79/55/41/1170795541.db2.gz CUIJFXJFBXZZTA-BZUAXINKSA-N 2 1 357.462 0.954 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673268 1170804383 /nfs/dbraw/zinc/80/43/83/1170804383.db2.gz JATOWBCBKSYGAE-ZIRHEVKLSA-N 2 1 363.462 0.046 20 0 FCADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891762958 1170850004 /nfs/dbraw/zinc/85/00/04/1170850004.db2.gz VGTFMWCIGRCHNL-IRXDYDNUSA-N 2 1 373.505 0.334 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891762958 1170850005 /nfs/dbraw/zinc/85/00/05/1170850005.db2.gz VGTFMWCIGRCHNL-IRXDYDNUSA-N 2 1 373.505 0.334 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087175359 1170872591 /nfs/dbraw/zinc/87/25/91/1170872591.db2.gz JNHICHSCQBMXKS-VNQPRFMTSA-N 2 1 364.490 0.493 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOCCO)C1)C2 ZINC001691251019 1170888937 /nfs/dbraw/zinc/88/89/37/1170888937.db2.gz IXXBGXYQPFVRCC-YESZJQIVSA-N 2 1 364.490 0.637 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cccn2)C1 ZINC001691382562 1171243090 /nfs/dbraw/zinc/24/30/90/1171243090.db2.gz YSYHNBUNALUKPD-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cccn2)C1 ZINC001691382562 1171243111 /nfs/dbraw/zinc/24/31/11/1171243111.db2.gz YSYHNBUNALUKPD-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691382406 1171243545 /nfs/dbraw/zinc/24/35/45/1171243545.db2.gz SOIQQCVYKLQPDN-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891954874 1171247329 /nfs/dbraw/zinc/24/73/29/1171247329.db2.gz VTETYPRKCWTKNI-OAGGEKHMSA-N 2 1 365.478 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972801 1171367945 /nfs/dbraw/zinc/36/79/45/1171367945.db2.gz LISFSFMJJCPMJI-MJGOQNOKSA-N 2 1 359.518 0.959 20 0 FCADMP NC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999353 1171456831 /nfs/dbraw/zinc/45/68/31/1171456831.db2.gz BLPOZFDEZBFHBM-OLZOCXBDSA-N 2 1 371.489 0.873 20 0 FCADMP NC(=O)c1cc(N[C@@H]2CC[NH+](C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000891999353 1171456835 /nfs/dbraw/zinc/45/68/35/1171456835.db2.gz BLPOZFDEZBFHBM-OLZOCXBDSA-N 2 1 371.489 0.873 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892100809 1171580541 /nfs/dbraw/zinc/58/05/41/1171580541.db2.gz NITXIXVMMSJCRF-GOSISDBHSA-N 2 1 365.522 0.392 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892213645 1171750609 /nfs/dbraw/zinc/75/06/09/1171750609.db2.gz FXEJHTCKIHKXKG-XHSDSOJGSA-N 2 1 367.494 0.541 20 0 FCADMP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746148 1171852464 /nfs/dbraw/zinc/85/24/64/1171852464.db2.gz FXWQGJSLPUNQDF-XDNAFOTISA-N 2 1 368.485 0.897 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001022747990 1171855707 /nfs/dbraw/zinc/85/57/07/1171855707.db2.gz OJZCTNBMHRJLGP-HCXYKTFWSA-N 2 1 368.485 0.860 20 0 FCADMP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC001022747235 1171855857 /nfs/dbraw/zinc/85/58/57/1171855857.db2.gz ZUTUJCGRIIIJLV-JFRXWTBNSA-N 2 1 368.485 0.897 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000972252248 1171888403 /nfs/dbraw/zinc/88/84/03/1171888403.db2.gz BZELEGGVKIOZLC-IAGOWNOFSA-N 2 1 371.485 0.879 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211557641 1172075465 /nfs/dbraw/zinc/07/54/65/1172075465.db2.gz ZFEBZFWCMOXAIJ-KSZLIROESA-N 2 1 358.486 0.753 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088658766 1192806330 /nfs/dbraw/zinc/80/63/30/1192806330.db2.gz UJBWXLDOYHUGPF-KJWYOANISA-N 2 1 374.485 0.584 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088658766 1192806331 /nfs/dbraw/zinc/80/63/31/1192806331.db2.gz UJBWXLDOYHUGPF-KJWYOANISA-N 2 1 374.485 0.584 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001088658766 1192806332 /nfs/dbraw/zinc/80/63/32/1192806332.db2.gz UJBWXLDOYHUGPF-KJWYOANISA-N 2 1 374.485 0.584 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001088658766 1192806335 /nfs/dbraw/zinc/80/63/35/1192806335.db2.gz UJBWXLDOYHUGPF-KJWYOANISA-N 2 1 374.485 0.584 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21)[NH+](C)C ZINC001075940312 1192836024 /nfs/dbraw/zinc/83/60/24/1192836024.db2.gz IZYRBNQLHDRUEL-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21)[NH+](C)C ZINC001075940312 1192836025 /nfs/dbraw/zinc/83/60/25/1192836025.db2.gz IZYRBNQLHDRUEL-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000897716645 1192843689 /nfs/dbraw/zinc/84/36/89/1192843689.db2.gz HVSOETKOLNTFCG-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000898129008 1192858974 /nfs/dbraw/zinc/85/89/74/1192858974.db2.gz XLDKRAMZYLXTQH-HOTGVXAUSA-N 2 1 359.474 0.719 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000842036387 1192861658 /nfs/dbraw/zinc/86/16/58/1192861658.db2.gz XSICMTXPYKWNPK-CZUORRHYSA-N 2 1 370.457 0.778 20 0 FCADMP CC(C)n1nnnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001087245808 1179956330 /nfs/dbraw/zinc/95/63/30/1179956330.db2.gz LPPDNEVFGGQJGN-PMPSAXMXSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001087245808 1179956334 /nfs/dbraw/zinc/95/63/34/1179956334.db2.gz LPPDNEVFGGQJGN-PMPSAXMXSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001087245808 1179956340 /nfs/dbraw/zinc/95/63/40/1179956340.db2.gz LPPDNEVFGGQJGN-PMPSAXMXSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087246644 1179977197 /nfs/dbraw/zinc/97/71/97/1179977197.db2.gz YLSGLDDHHWOYHX-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087246644 1179977210 /nfs/dbraw/zinc/97/72/10/1179977210.db2.gz YLSGLDDHHWOYHX-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211616082 1179987338 /nfs/dbraw/zinc/98/73/38/1179987338.db2.gz VKTDADGMJFSNTH-ZWKOTPCHSA-N 2 1 358.486 0.801 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000127942769 1180035564 /nfs/dbraw/zinc/03/55/64/1180035564.db2.gz KLEKQLFNHBUCOZ-HOCLYGCPSA-N 2 1 357.462 0.900 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CCC1 ZINC000972640792 1180098594 /nfs/dbraw/zinc/09/85/94/1180098594.db2.gz RWUIKCMRSXUGDP-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796328 1180327215 /nfs/dbraw/zinc/32/72/15/1180327215.db2.gz AXJCOSCSWRZSGP-GVDBMIGSSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000080152977 1180422511 /nfs/dbraw/zinc/42/25/11/1180422511.db2.gz BESQNXZLCXGPDR-QGZVFWFLSA-N 2 1 369.554 0.670 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023994026 1180730507 /nfs/dbraw/zinc/73/05/07/1180730507.db2.gz WOTNNTNRPPCNRE-QLFBSQMISA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023994026 1180730520 /nfs/dbraw/zinc/73/05/20/1180730520.db2.gz WOTNNTNRPPCNRE-QLFBSQMISA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023994027 1180731054 /nfs/dbraw/zinc/73/10/54/1180731054.db2.gz WOTNNTNRPPCNRE-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP COCc1noc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023994027 1180731066 /nfs/dbraw/zinc/73/10/66/1180731066.db2.gz WOTNNTNRPPCNRE-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024037987 1180805672 /nfs/dbraw/zinc/80/56/72/1180805672.db2.gz DMNHMXYQKMWICD-BFYDXBDKSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024037987 1180805674 /nfs/dbraw/zinc/80/56/74/1180805674.db2.gz DMNHMXYQKMWICD-BFYDXBDKSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)CC2 ZINC001112518352 1180836180 /nfs/dbraw/zinc/83/61/80/1180836180.db2.gz FEBHZQBZUIIGKM-DOXZYTNZSA-N 2 1 359.474 0.458 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001929 1181847757 /nfs/dbraw/zinc/84/77/57/1181847757.db2.gz VSNTVFJZRPETDC-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972992956 1181860696 /nfs/dbraw/zinc/86/06/96/1181860696.db2.gz SHTQGYZPUBAFMV-KBAYOESNSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000973328187 1182236943 /nfs/dbraw/zinc/23/69/43/1182236943.db2.gz VQFFSPIPZZOXDM-KBUPBQIOSA-N 2 1 359.474 0.865 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000973549955 1182384006 /nfs/dbraw/zinc/38/40/06/1182384006.db2.gz CXZWIBPOUFFICP-OXGONZEZSA-N 2 1 359.474 0.771 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000892789549 1182506406 /nfs/dbraw/zinc/50/64/06/1182506406.db2.gz QCESXDXLMPIREC-MSOLQXFVSA-N 2 1 371.485 0.307 20 0 FCADMP COc1ncnc(OC)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637407 1182864710 /nfs/dbraw/zinc/86/47/10/1182864710.db2.gz RBQUHMFGNNCYMM-CQSZACIVSA-N 2 1 363.462 0.734 20 0 FCADMP COc1ncnc(OC)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637407 1182864713 /nfs/dbraw/zinc/86/47/13/1182864713.db2.gz RBQUHMFGNNCYMM-CQSZACIVSA-N 2 1 363.462 0.734 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104872638 1182970359 /nfs/dbraw/zinc/97/03/59/1182970359.db2.gz RRLRZPDULNDRSK-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104932771 1183007336 /nfs/dbraw/zinc/00/73/36/1183007336.db2.gz NCBWMRCSTVSXDG-QLFBSQMISA-N 2 1 369.510 0.376 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@H+]1C ZINC000974190169 1183041854 /nfs/dbraw/zinc/04/18/54/1183041854.db2.gz CQWJJHFQXZYYQY-PHSQPZKOSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC[NH+]1C ZINC000974190169 1183041866 /nfs/dbraw/zinc/04/18/66/1183041866.db2.gz CQWJJHFQXZYYQY-PHSQPZKOSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC[NH+]1C ZINC000974190169 1183041877 /nfs/dbraw/zinc/04/18/77/1183041877.db2.gz CQWJJHFQXZYYQY-PHSQPZKOSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001105007786 1183065611 /nfs/dbraw/zinc/06/56/11/1183065611.db2.gz GFDGXRIFWZDSDC-KFWWJZLASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001105007786 1183065620 /nfs/dbraw/zinc/06/56/20/1183065620.db2.gz GFDGXRIFWZDSDC-KFWWJZLASA-N 2 1 364.494 0.662 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001105017196 1183070039 /nfs/dbraw/zinc/07/00/39/1183070039.db2.gz URDWTZSUGDERDC-IIAWOOMASA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001105017091 1183070073 /nfs/dbraw/zinc/07/00/73/1183070073.db2.gz ONZUDHLOCYECPN-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105066913 1183101236 /nfs/dbraw/zinc/10/12/36/1183101236.db2.gz GFFZKNMZCSVPPO-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)CC1 ZINC000974444442 1183215943 /nfs/dbraw/zinc/21/59/43/1183215943.db2.gz NAYNHSMPOCINAA-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1)[NH+](C)C ZINC000974530150 1183308518 /nfs/dbraw/zinc/30/85/18/1183308518.db2.gz JCAKMEPUUHRNGB-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1 ZINC000974571194 1183352119 /nfs/dbraw/zinc/35/21/19/1183352119.db2.gz NCKQZOZYRPFPKX-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000974582513 1183361647 /nfs/dbraw/zinc/36/16/47/1183361647.db2.gz XVUHQSPTQQXTPA-GVDBMIGSSA-N 2 1 360.502 0.483 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974585456 1183364538 /nfs/dbraw/zinc/36/45/38/1183364538.db2.gz YXIRSLPBHZNUCA-BRWVUGGUSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585113 1183365239 /nfs/dbraw/zinc/36/52/39/1183365239.db2.gz URRKVXUYQJHKDM-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001026855294 1183424681 /nfs/dbraw/zinc/42/46/81/1183424681.db2.gz DKKNKQIDQZWIQA-SOUVJXGZSA-N 2 1 364.494 0.804 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001026855294 1183424682 /nfs/dbraw/zinc/42/46/82/1183424682.db2.gz DKKNKQIDQZWIQA-SOUVJXGZSA-N 2 1 364.494 0.804 20 0 FCADMP [NH3+]CCOCCOCCNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000198046769 1183505659 /nfs/dbraw/zinc/50/56/59/1183505659.db2.gz ZBJPTIHUNBLKLZ-UHFFFAOYSA-N 2 1 365.482 0.476 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975208934 1183771391 /nfs/dbraw/zinc/77/13/91/1183771391.db2.gz ZOOHTWIOAHNNDO-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975208934 1183771397 /nfs/dbraw/zinc/77/13/97/1183771397.db2.gz ZOOHTWIOAHNNDO-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000975212603 1183774518 /nfs/dbraw/zinc/77/45/18/1183774518.db2.gz WFTJEXPMFPTFMD-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000975313088 1183834240 /nfs/dbraw/zinc/83/42/40/1183834240.db2.gz YLIFZLFDLIQQHG-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975620085 1183953717 /nfs/dbraw/zinc/95/37/17/1183953717.db2.gz KSWJJTXUDKCTSC-BBWFWOEESA-N 2 1 360.502 0.626 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691496319 1186229934 /nfs/dbraw/zinc/22/99/34/1186229934.db2.gz UHAIRHWDJWWJMX-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CCn1cc(CC[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001027965373 1186239700 /nfs/dbraw/zinc/23/97/00/1186239700.db2.gz ADDUCYQDAWJMBH-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001027965373 1186239711 /nfs/dbraw/zinc/23/97/11/1186239711.db2.gz ADDUCYQDAWJMBH-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001027965373 1186239716 /nfs/dbraw/zinc/23/97/16/1186239716.db2.gz ADDUCYQDAWJMBH-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001027965373 1186239719 /nfs/dbraw/zinc/23/97/19/1186239719.db2.gz ADDUCYQDAWJMBH-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccccc2)O1 ZINC001087430999 1186245286 /nfs/dbraw/zinc/24/52/86/1186245286.db2.gz VMGXLGVGWSUHOX-NXWXRZEISA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccccc2)O1 ZINC001087430999 1186245292 /nfs/dbraw/zinc/24/52/92/1186245292.db2.gz VMGXLGVGWSUHOX-NXWXRZEISA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccccc2)O1 ZINC001087430999 1186245297 /nfs/dbraw/zinc/24/52/97/1186245297.db2.gz VMGXLGVGWSUHOX-NXWXRZEISA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccccc2)O1 ZINC001087430999 1186245305 /nfs/dbraw/zinc/24/53/05/1186245305.db2.gz VMGXLGVGWSUHOX-NXWXRZEISA-N 2 1 361.486 0.672 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784028 1186520681 /nfs/dbraw/zinc/52/06/81/1186520681.db2.gz JGHIVPOZEMMNTP-JKSUJKDBSA-N 2 1 359.474 0.688 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211703004 1186597794 /nfs/dbraw/zinc/59/77/94/1186597794.db2.gz PGGPSKCKWHXGKO-OKZBNKHCSA-N 2 1 358.486 0.801 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001028553015 1187604600 /nfs/dbraw/zinc/60/46/00/1187604600.db2.gz YSZJNNHULJYZAP-VNQPRFMTSA-N 2 1 361.494 0.676 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628630 1187757344 /nfs/dbraw/zinc/75/73/44/1187757344.db2.gz WUQPSPQZKQRQSG-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628630 1187757348 /nfs/dbraw/zinc/75/73/48/1187757348.db2.gz WUQPSPQZKQRQSG-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628630 1187757356 /nfs/dbraw/zinc/75/73/56/1187757356.db2.gz WUQPSPQZKQRQSG-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628630 1187757362 /nfs/dbraw/zinc/75/73/62/1187757362.db2.gz WUQPSPQZKQRQSG-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CN(CC(=O)N1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1)C(N)=[NH2+] ZINC001269992291 1187961787 /nfs/dbraw/zinc/96/17/87/1187961787.db2.gz FPRQZPIMUNGRMK-SFHVURJKSA-N 2 1 361.494 0.413 20 0 FCADMP CN(CC(=O)N1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1)C(N)=[NH2+] ZINC001269992643 1187962263 /nfs/dbraw/zinc/96/22/63/1187962263.db2.gz SSDQYHWBUUVXTE-UHFFFAOYSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC000983705687 1188277149 /nfs/dbraw/zinc/27/71/49/1188277149.db2.gz ZDJCRWPXMHKNQB-KLHDSHLOSA-N 2 1 360.506 0.939 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000550371455 1188343133 /nfs/dbraw/zinc/34/31/33/1188343133.db2.gz AHXZYZHTOMWYSJ-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075784994 1188358472 /nfs/dbraw/zinc/35/84/72/1188358472.db2.gz NTXOUEFDDMTRNL-GVDBMIGSSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075784994 1188358473 /nfs/dbraw/zinc/35/84/73/1188358473.db2.gz NTXOUEFDDMTRNL-GVDBMIGSSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075784994 1188358476 /nfs/dbraw/zinc/35/84/76/1188358476.db2.gz NTXOUEFDDMTRNL-GVDBMIGSSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001075800188 1189366680 /nfs/dbraw/zinc/36/66/80/1189366680.db2.gz RRZJFIMCFBBLIL-GBESFXJTSA-N 2 1 370.497 0.760 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CC1 ZINC001029312601 1189371557 /nfs/dbraw/zinc/37/15/57/1189371557.db2.gz JAZLHBBWHQSQIV-HCXYKTFWSA-N 2 1 365.518 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@@H+]1C ZINC001029315632 1189375152 /nfs/dbraw/zinc/37/51/52/1189375152.db2.gz POXZTWBWPJZMGB-VVLHAWIVSA-N 2 1 363.506 0.417 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001029315632 1189375156 /nfs/dbraw/zinc/37/51/56/1189375156.db2.gz POXZTWBWPJZMGB-VVLHAWIVSA-N 2 1 363.506 0.417 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001029315632 1189375162 /nfs/dbraw/zinc/37/51/62/1189375162.db2.gz POXZTWBWPJZMGB-VVLHAWIVSA-N 2 1 363.506 0.417 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001029315632 1189375171 /nfs/dbraw/zinc/37/51/71/1189375171.db2.gz POXZTWBWPJZMGB-VVLHAWIVSA-N 2 1 363.506 0.417 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)n1 ZINC001075804139 1189394790 /nfs/dbraw/zinc/39/47/90/1189394790.db2.gz XPJSOJDWYKTQLU-SOLBZPMBSA-N 2 1 361.490 0.628 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087659106 1189710302 /nfs/dbraw/zinc/71/03/02/1189710302.db2.gz MUGJWFMRHFVDLT-YESZJQIVSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087659106 1189710323 /nfs/dbraw/zinc/71/03/23/1189710323.db2.gz MUGJWFMRHFVDLT-YESZJQIVSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087659106 1189710337 /nfs/dbraw/zinc/71/03/37/1189710337.db2.gz MUGJWFMRHFVDLT-YESZJQIVSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087726656 1189804087 /nfs/dbraw/zinc/80/40/87/1189804087.db2.gz NHSQUZUMJFTARI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087726656 1189804088 /nfs/dbraw/zinc/80/40/88/1189804088.db2.gz NHSQUZUMJFTARI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087726656 1189804089 /nfs/dbraw/zinc/80/40/89/1189804089.db2.gz NHSQUZUMJFTARI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087726656 1189804092 /nfs/dbraw/zinc/80/40/92/1189804092.db2.gz NHSQUZUMJFTARI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299083 1189825293 /nfs/dbraw/zinc/82/52/93/1189825293.db2.gz QPUSOGRPARVVFX-DLBZAZTESA-N 2 1 366.506 0.746 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299083 1189825295 /nfs/dbraw/zinc/82/52/95/1189825295.db2.gz QPUSOGRPARVVFX-DLBZAZTESA-N 2 1 366.506 0.746 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000895608027 1189868348 /nfs/dbraw/zinc/86/83/48/1189868348.db2.gz WFYFOLIUWNSLHC-MRXNPFEDSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000895608027 1189868350 /nfs/dbraw/zinc/86/83/50/1189868350.db2.gz WFYFOLIUWNSLHC-MRXNPFEDSA-N 2 1 360.506 0.978 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908779 1189894436 /nfs/dbraw/zinc/89/44/36/1189894436.db2.gz NEOGUZSPTUXAIU-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908779 1189894438 /nfs/dbraw/zinc/89/44/38/1189894438.db2.gz NEOGUZSPTUXAIU-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908779 1189894444 /nfs/dbraw/zinc/89/44/44/1189894444.db2.gz NEOGUZSPTUXAIU-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CN1CCC[C@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008282 1189913719 /nfs/dbraw/zinc/91/37/19/1189913719.db2.gz CCIFCUGMKUSOPX-IRXDYDNUSA-N 2 1 374.489 0.731 20 0 FCADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008282 1189913735 /nfs/dbraw/zinc/91/37/35/1189913735.db2.gz CCIFCUGMKUSOPX-IRXDYDNUSA-N 2 1 374.489 0.731 20 0 FCADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008282 1189913740 /nfs/dbraw/zinc/91/37/40/1189913740.db2.gz CCIFCUGMKUSOPX-IRXDYDNUSA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008282 1189913743 /nfs/dbraw/zinc/91/37/43/1189913743.db2.gz CCIFCUGMKUSOPX-IRXDYDNUSA-N 2 1 374.489 0.731 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC000896008282 1189913749 /nfs/dbraw/zinc/91/37/49/1189913749.db2.gz CCIFCUGMKUSOPX-IRXDYDNUSA-N 2 1 374.489 0.731 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963740 1190008310 /nfs/dbraw/zinc/00/83/10/1190008310.db2.gz FSYIWQCQBPUQKH-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963740 1190008319 /nfs/dbraw/zinc/00/83/19/1190008319.db2.gz FSYIWQCQBPUQKH-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963740 1190008325 /nfs/dbraw/zinc/00/83/25/1190008325.db2.gz FSYIWQCQBPUQKH-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087963740 1190008331 /nfs/dbraw/zinc/00/83/31/1190008331.db2.gz FSYIWQCQBPUQKH-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964673 1190011957 /nfs/dbraw/zinc/01/19/57/1190011957.db2.gz VYHDWKQQPLDPIW-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964673 1190011961 /nfs/dbraw/zinc/01/19/61/1190011961.db2.gz VYHDWKQQPLDPIW-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964673 1190011967 /nfs/dbraw/zinc/01/19/67/1190011967.db2.gz VYHDWKQQPLDPIW-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001087964673 1190011976 /nfs/dbraw/zinc/01/19/76/1190011976.db2.gz VYHDWKQQPLDPIW-RYRKJORJSA-N 2 1 360.506 0.968 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)CC1 ZINC001087969216 1190025641 /nfs/dbraw/zinc/02/56/41/1190025641.db2.gz IVWKLXXKWYDTHG-HCXYKTFWSA-N 2 1 365.518 0.506 20 0 FCADMP COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969531 1190026487 /nfs/dbraw/zinc/02/64/87/1190026487.db2.gz AACNBYJAJZTZDF-BBWFWOEESA-N 2 1 363.506 0.874 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968644 1190027646 /nfs/dbraw/zinc/02/76/46/1190027646.db2.gz DGLXYVMSZSPESZ-RYRKJORJSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968644 1190027652 /nfs/dbraw/zinc/02/76/52/1190027652.db2.gz DGLXYVMSZSPESZ-RYRKJORJSA-N 2 1 358.490 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087970560 1190036551 /nfs/dbraw/zinc/03/65/51/1190036551.db2.gz CWEJCRQQUYZMKI-WCXIOVBPSA-N 2 1 363.506 0.132 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087970560 1190036557 /nfs/dbraw/zinc/03/65/57/1190036557.db2.gz CWEJCRQQUYZMKI-WCXIOVBPSA-N 2 1 363.506 0.132 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087970560 1190036564 /nfs/dbraw/zinc/03/65/64/1190036564.db2.gz CWEJCRQQUYZMKI-WCXIOVBPSA-N 2 1 363.506 0.132 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000896469091 1190064627 /nfs/dbraw/zinc/06/46/27/1190064627.db2.gz UWCIXMDFVYEOOW-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)Cn1c[nH+]cc1C ZINC000984729999 1190096424 /nfs/dbraw/zinc/09/64/24/1190096424.db2.gz NNRYJPHBHHHQBB-ARFHVFGLSA-N 2 1 363.462 0.018 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029480277 1190100637 /nfs/dbraw/zinc/10/06/37/1190100637.db2.gz QUWARKYAEVCNLL-YIDVYQOGSA-N 2 1 357.458 0.477 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCCNC1=O ZINC001029480277 1190100642 /nfs/dbraw/zinc/10/06/42/1190100642.db2.gz QUWARKYAEVCNLL-YIDVYQOGSA-N 2 1 357.458 0.477 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896748649 1190121187 /nfs/dbraw/zinc/12/11/87/1190121187.db2.gz KPDQJDYWUZNGGC-KSZLIROESA-N 2 1 366.506 0.480 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000896748649 1190121191 /nfs/dbraw/zinc/12/11/91/1190121191.db2.gz KPDQJDYWUZNGGC-KSZLIROESA-N 2 1 366.506 0.480 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992456 1190143751 /nfs/dbraw/zinc/14/37/51/1190143751.db2.gz WSEGPWVROCXOHG-SQNIBIBYSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992456 1190143754 /nfs/dbraw/zinc/14/37/54/1190143754.db2.gz WSEGPWVROCXOHG-SQNIBIBYSA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992456 1190143756 /nfs/dbraw/zinc/14/37/56/1190143756.db2.gz WSEGPWVROCXOHG-SQNIBIBYSA-N 2 1 364.534 0.833 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001087993270 1190144269 /nfs/dbraw/zinc/14/42/69/1190144269.db2.gz HXHLJMOXQWQWTR-GJYPPUQNSA-N 2 1 362.518 0.728 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999228 1190169139 /nfs/dbraw/zinc/16/91/39/1190169139.db2.gz BVAYPLHOMHWTNW-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999228 1190169141 /nfs/dbraw/zinc/16/91/41/1190169141.db2.gz BVAYPLHOMHWTNW-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999228 1190169142 /nfs/dbraw/zinc/16/91/42/1190169142.db2.gz BVAYPLHOMHWTNW-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088011508 1190210961 /nfs/dbraw/zinc/21/09/61/1190210961.db2.gz QXSOTEOGDDTKIF-OWCLPIDISA-N 2 1 364.490 0.256 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000984902661 1190244926 /nfs/dbraw/zinc/24/49/26/1190244926.db2.gz GXVGNOOJXSSTMH-JKSUJKDBSA-N 2 1 359.474 0.783 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)nn1 ZINC001088026401 1190261760 /nfs/dbraw/zinc/26/17/60/1190261760.db2.gz IDTZTSCPNPBESX-CVEARBPZSA-N 2 1 358.490 0.724 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)nn1 ZINC001088026401 1190261768 /nfs/dbraw/zinc/26/17/68/1190261768.db2.gz IDTZTSCPNPBESX-CVEARBPZSA-N 2 1 358.490 0.724 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@@H]3C2)C1=O ZINC001088041848 1190300025 /nfs/dbraw/zinc/30/00/25/1190300025.db2.gz MBHQEBFSXAOVLZ-UWWQBHOKSA-N 2 1 367.453 0.959 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090721 1190542945 /nfs/dbraw/zinc/54/29/45/1190542945.db2.gz CNEUAAJEPULMCT-UAGQMJEPSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090721 1190542948 /nfs/dbraw/zinc/54/29/48/1190542948.db2.gz CNEUAAJEPULMCT-UAGQMJEPSA-N 2 1 360.506 0.998 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106653 1190593411 /nfs/dbraw/zinc/59/34/11/1190593411.db2.gz KZKYUQIPKAUPIM-VCBZYWHSSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106653 1190593420 /nfs/dbraw/zinc/59/34/20/1190593420.db2.gz KZKYUQIPKAUPIM-VCBZYWHSSA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106653 1190593428 /nfs/dbraw/zinc/59/34/28/1190593428.db2.gz KZKYUQIPKAUPIM-VCBZYWHSSA-N 2 1 368.497 0.725 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088130566 1190631186 /nfs/dbraw/zinc/63/11/86/1190631186.db2.gz VAKXBIUIECLKAO-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130469 1190632880 /nfs/dbraw/zinc/63/28/80/1190632880.db2.gz ORLDALRROURVCF-NXHRZFHOSA-N 2 1 364.534 0.975 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC1 ZINC001088150734 1190675098 /nfs/dbraw/zinc/67/50/98/1190675098.db2.gz SVCARWRFONWHMS-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001271855218 1190731892 /nfs/dbraw/zinc/73/18/92/1190731892.db2.gz ZHQNYTPCRNKXPQ-NRSFXHEJSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)CC4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001271855218 1190731897 /nfs/dbraw/zinc/73/18/97/1190731897.db2.gz ZHQNYTPCRNKXPQ-NRSFXHEJSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)CC4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001271855218 1190731901 /nfs/dbraw/zinc/73/19/01/1190731901.db2.gz ZHQNYTPCRNKXPQ-NRSFXHEJSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)CCn3cccn3)C2)CC[N@H+]1C ZINC001691529310 1190812277 /nfs/dbraw/zinc/81/22/77/1190812277.db2.gz YXIIEBUTVDYEKO-KZNAEPCWSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001059679432 1190870558 /nfs/dbraw/zinc/87/05/58/1190870558.db2.gz JFSAXIUKCBHJDW-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001059679432 1190870560 /nfs/dbraw/zinc/87/05/60/1190870560.db2.gz JFSAXIUKCBHJDW-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)CC[C@@H]3C2)C1 ZINC000986135793 1190906102 /nfs/dbraw/zinc/90/61/02/1190906102.db2.gz WRORWUMOJDVFKW-ZACQAIPSSA-N 2 1 360.502 0.341 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)C1 ZINC000986418480 1190983678 /nfs/dbraw/zinc/98/36/78/1190983678.db2.gz LYAZBEHYQSWWSD-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2C1)C1CCC1 ZINC000986577067 1191044287 /nfs/dbraw/zinc/04/42/87/1191044287.db2.gz NOMAIXQNQHSRSV-CABCVRRESA-N 2 1 359.474 0.743 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC001088505779 1191061941 /nfs/dbraw/zinc/06/19/41/1191061941.db2.gz UVFWUEAREVRTRS-HYVNUMGLSA-N 2 1 361.490 0.557 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1Cc1ccnc(N(C)C)c1 ZINC001088505779 1191061944 /nfs/dbraw/zinc/06/19/44/1191061944.db2.gz UVFWUEAREVRTRS-HYVNUMGLSA-N 2 1 361.490 0.557 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001075887200 1191132671 /nfs/dbraw/zinc/13/26/71/1191132671.db2.gz AIKXWPGXJHHGMD-FUHWJXTLSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001075887200 1191132673 /nfs/dbraw/zinc/13/26/73/1191132673.db2.gz AIKXWPGXJHHGMD-FUHWJXTLSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)cc1=O ZINC001075887200 1191132675 /nfs/dbraw/zinc/13/26/75/1191132675.db2.gz AIKXWPGXJHHGMD-FUHWJXTLSA-N 2 1 358.486 0.902 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000988110476 1191150765 /nfs/dbraw/zinc/15/07/65/1191150765.db2.gz QVPUAIMYOASUMY-XYPHTWIQSA-N 2 1 359.474 0.639 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001217923282 1224132051 /nfs/dbraw/zinc/13/20/51/1224132051.db2.gz KAVAGNMXBUOFCB-CEXWTWQISA-N 2 1 363.502 0.666 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001217923282 1224132052 /nfs/dbraw/zinc/13/20/52/1224132052.db2.gz KAVAGNMXBUOFCB-CEXWTWQISA-N 2 1 363.502 0.666 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088571941 1191207616 /nfs/dbraw/zinc/20/76/16/1191207616.db2.gz SBJADSROMFOQSR-OLMNPRSZSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088571941 1191207617 /nfs/dbraw/zinc/20/76/17/1191207617.db2.gz SBJADSROMFOQSR-OLMNPRSZSA-N 2 1 362.518 0.966 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000550656019 1193726569 /nfs/dbraw/zinc/72/65/69/1193726569.db2.gz BWXGJSYKNFXXCA-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000550656019 1193726573 /nfs/dbraw/zinc/72/65/73/1193726573.db2.gz BWXGJSYKNFXXCA-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000550682345 1193733006 /nfs/dbraw/zinc/73/30/06/1193733006.db2.gz YSKMPBJJWYYQIV-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CCC1 ZINC001691594959 1193765623 /nfs/dbraw/zinc/76/56/23/1193765623.db2.gz HHCJSIVYJAERFZ-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465566 1193773364 /nfs/dbraw/zinc/77/33/64/1193773364.db2.gz JAMAKMWNEXIAPZ-QRVBRYPASA-N 2 1 359.470 0.698 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465566 1193773367 /nfs/dbraw/zinc/77/33/67/1193773367.db2.gz JAMAKMWNEXIAPZ-QRVBRYPASA-N 2 1 359.470 0.698 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527832 1224168800 /nfs/dbraw/zinc/16/88/00/1224168800.db2.gz OSRGMVKWLDELSH-XLAORIBOSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527832 1224168804 /nfs/dbraw/zinc/16/88/04/1224168804.db2.gz OSRGMVKWLDELSH-XLAORIBOSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527832 1224168808 /nfs/dbraw/zinc/16/88/08/1224168808.db2.gz OSRGMVKWLDELSH-XLAORIBOSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527832 1224168811 /nfs/dbraw/zinc/16/88/11/1224168811.db2.gz OSRGMVKWLDELSH-XLAORIBOSA-N 2 1 369.506 0.291 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466387 1193819047 /nfs/dbraw/zinc/81/90/47/1193819047.db2.gz RPLPMJCSVQQBCK-QGTPRVQTSA-N 2 1 371.441 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466387 1193819049 /nfs/dbraw/zinc/81/90/49/1193819049.db2.gz RPLPMJCSVQQBCK-QGTPRVQTSA-N 2 1 371.441 0.226 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551135279 1193835083 /nfs/dbraw/zinc/83/50/83/1193835083.db2.gz BZXPVMHTDWKZLK-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550687 1224171923 /nfs/dbraw/zinc/17/19/23/1224171923.db2.gz JSPVWFVXPBSJGC-DLBZAZTESA-N 2 1 361.490 0.216 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105643497 1193848574 /nfs/dbraw/zinc/84/85/74/1193848574.db2.gz ZHQYLGYMVJJNBU-RWQQGDIJSA-N 2 1 364.490 0.540 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469665 1193864817 /nfs/dbraw/zinc/86/48/17/1193864817.db2.gz CPKXOCDSMVWGHY-YRXWBPOGSA-N 2 1 365.518 0.861 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001088757124 1193891172 /nfs/dbraw/zinc/89/11/72/1193891172.db2.gz JXEDTTWPRJFDLN-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1cnn(C)c1 ZINC001088757124 1193891175 /nfs/dbraw/zinc/89/11/75/1193891175.db2.gz JXEDTTWPRJFDLN-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cnn(C)c1 ZINC001088757124 1193891176 /nfs/dbraw/zinc/89/11/76/1193891176.db2.gz JXEDTTWPRJFDLN-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1cnn(C)c1 ZINC001088757124 1193891177 /nfs/dbraw/zinc/89/11/77/1193891177.db2.gz JXEDTTWPRJFDLN-GHONMVHDSA-N 2 1 359.474 0.362 20 0 FCADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757246 1193891906 /nfs/dbraw/zinc/89/19/06/1193891906.db2.gz PIWSNBAWWFZWOW-PXUJCXMHSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757246 1193891907 /nfs/dbraw/zinc/89/19/07/1193891907.db2.gz PIWSNBAWWFZWOW-PXUJCXMHSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757246 1193891909 /nfs/dbraw/zinc/89/19/09/1193891909.db2.gz PIWSNBAWWFZWOW-PXUJCXMHSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757246 1193891910 /nfs/dbraw/zinc/89/19/10/1193891910.db2.gz PIWSNBAWWFZWOW-PXUJCXMHSA-N 2 1 371.485 0.727 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CCn1cccn1 ZINC001088757360 1193892216 /nfs/dbraw/zinc/89/22/16/1193892216.db2.gz VAJAAKQIKVAGQO-DLOULFILSA-N 2 1 359.474 0.325 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CCn1cccn1 ZINC001088757360 1193892218 /nfs/dbraw/zinc/89/22/18/1193892218.db2.gz VAJAAKQIKVAGQO-DLOULFILSA-N 2 1 359.474 0.325 20 0 FCADMP C[NH2+][C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1)[C@@H](C)OC(C)(C)C ZINC001218572128 1224175419 /nfs/dbraw/zinc/17/54/19/1224175419.db2.gz DTKVXLATLHNXSH-CJNGLKHVSA-N 2 1 364.494 0.959 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471648 1193932785 /nfs/dbraw/zinc/93/27/85/1193932785.db2.gz RWPHLBXUDBCAQP-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471648 1193932786 /nfs/dbraw/zinc/93/27/86/1193932786.db2.gz RWPHLBXUDBCAQP-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000552471648 1193932791 /nfs/dbraw/zinc/93/27/91/1193932791.db2.gz RWPHLBXUDBCAQP-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000552471648 1193932794 /nfs/dbraw/zinc/93/27/94/1193932794.db2.gz RWPHLBXUDBCAQP-YJBOKZPZSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000552501268 1193934988 /nfs/dbraw/zinc/93/49/88/1193934988.db2.gz SVJGFQNZSHQFKI-LTIDMASMSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000552520131 1193936860 /nfs/dbraw/zinc/93/68/60/1193936860.db2.gz IQWNZHGPSISCRX-QGZVFWFLSA-N 2 1 360.502 0.830 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000552538510 1193937546 /nfs/dbraw/zinc/93/75/46/1193937546.db2.gz DAKZMEIRGMAMGK-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000552882069 1193957721 /nfs/dbraw/zinc/95/77/21/1193957721.db2.gz CFJHMQAWXVBWGF-HOTGVXAUSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NN3C(=O)[C@@H](C)N(C)C3=O)CC2)CC1 ZINC000899038030 1194097699 /nfs/dbraw/zinc/09/76/99/1194097699.db2.gz KNMIKKLTLBPOFP-CYBMUJFWSA-N 2 1 365.478 0.496 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@@H]21 ZINC000842230193 1194109445 /nfs/dbraw/zinc/10/94/45/1194109445.db2.gz WMCKKQKTEVNMMV-ROUUACIJSA-N 2 1 358.486 0.747 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000899229605 1194122459 /nfs/dbraw/zinc/12/24/59/1194122459.db2.gz CQLPDQVIBPBEGY-MJGOQNOKSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000899229605 1194122466 /nfs/dbraw/zinc/12/24/66/1194122466.db2.gz CQLPDQVIBPBEGY-MJGOQNOKSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000899229604 1194122782 /nfs/dbraw/zinc/12/27/82/1194122782.db2.gz CQLPDQVIBPBEGY-IEBWSBKVSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000899229604 1194122789 /nfs/dbraw/zinc/12/27/89/1194122789.db2.gz CQLPDQVIBPBEGY-IEBWSBKVSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCN2CCNC2=O)CC3)CC[NH+]1C ZINC000990792293 1194164892 /nfs/dbraw/zinc/16/48/92/1194164892.db2.gz RJOMSHIBVFALAW-NNFUDEMPSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247065 1194365726 /nfs/dbraw/zinc/36/57/26/1194365726.db2.gz XFOLHKQPFAUUIB-RRFJBIMHSA-N 2 1 362.474 0.056 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247065 1194365729 /nfs/dbraw/zinc/36/57/29/1194365729.db2.gz XFOLHKQPFAUUIB-RRFJBIMHSA-N 2 1 362.474 0.056 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247065 1194365734 /nfs/dbraw/zinc/36/57/34/1194365734.db2.gz XFOLHKQPFAUUIB-RRFJBIMHSA-N 2 1 362.474 0.056 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242770 1194369266 /nfs/dbraw/zinc/36/92/66/1194369266.db2.gz QUUHZEJRGVAZDT-JCGIZDLHSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242770 1194369274 /nfs/dbraw/zinc/36/92/74/1194369274.db2.gz QUUHZEJRGVAZDT-JCGIZDLHSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242770 1194369279 /nfs/dbraw/zinc/36/92/79/1194369279.db2.gz QUUHZEJRGVAZDT-JCGIZDLHSA-N 2 1 360.506 0.769 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242577 1194369616 /nfs/dbraw/zinc/36/96/16/1194369616.db2.gz KEGLRFIQJRKUJE-UWWQBHOKSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242577 1194369624 /nfs/dbraw/zinc/36/96/24/1194369624.db2.gz KEGLRFIQJRKUJE-UWWQBHOKSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242577 1194369630 /nfs/dbraw/zinc/36/96/30/1194369630.db2.gz KEGLRFIQJRKUJE-UWWQBHOKSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242577 1194369636 /nfs/dbraw/zinc/36/96/36/1194369636.db2.gz KEGLRFIQJRKUJE-UWWQBHOKSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323898 1194396472 /nfs/dbraw/zinc/39/64/72/1194396472.db2.gz JUTDADHHCWXQNS-UWWQBHOKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323897 1194397106 /nfs/dbraw/zinc/39/71/06/1194397106.db2.gz JUTDADHHCWXQNS-QILLFSRXSA-N 2 1 362.518 0.918 20 0 FCADMP CCOC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794928 1224214089 /nfs/dbraw/zinc/21/40/89/1224214089.db2.gz UWNFYTYHGIHHCZ-QMTMVMCOSA-N 2 1 369.506 0.611 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N1CCCCC1 ZINC001076467784 1194502243 /nfs/dbraw/zinc/50/22/43/1194502243.db2.gz SGZSMHWXLRAQEH-DLBZAZTESA-N 2 1 360.502 0.627 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N1CCCCC1 ZINC001076467784 1194502250 /nfs/dbraw/zinc/50/22/50/1194502250.db2.gz SGZSMHWXLRAQEH-DLBZAZTESA-N 2 1 360.502 0.627 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461990 1194505648 /nfs/dbraw/zinc/50/56/48/1194505648.db2.gz DRBKNTLIHWCELF-XYJFISCASA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461990 1194505654 /nfs/dbraw/zinc/50/56/54/1194505654.db2.gz DRBKNTLIHWCELF-XYJFISCASA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076461990 1194505664 /nfs/dbraw/zinc/50/56/64/1194505664.db2.gz DRBKNTLIHWCELF-XYJFISCASA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076461990 1194505671 /nfs/dbraw/zinc/50/56/71/1194505671.db2.gz DRBKNTLIHWCELF-XYJFISCASA-N 2 1 360.506 0.981 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465771 1194509589 /nfs/dbraw/zinc/50/95/89/1194509589.db2.gz VAPXGTVUDBNVHD-GVDBMIGSSA-N 2 1 360.502 0.624 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076573520 1194569594 /nfs/dbraw/zinc/56/95/94/1194569594.db2.gz VMNCGIBIOMZLDS-DLBZAZTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076573520 1194569603 /nfs/dbraw/zinc/56/96/03/1194569603.db2.gz VMNCGIBIOMZLDS-DLBZAZTESA-N 2 1 359.474 0.737 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567792 1194574459 /nfs/dbraw/zinc/57/44/59/1194574459.db2.gz IQKCXMFVTGZJQK-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567792 1194574464 /nfs/dbraw/zinc/57/44/64/1194574464.db2.gz IQKCXMFVTGZJQK-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567792 1194574467 /nfs/dbraw/zinc/57/44/67/1194574467.db2.gz IQKCXMFVTGZJQK-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567792 1194574470 /nfs/dbraw/zinc/57/44/70/1194574470.db2.gz IQKCXMFVTGZJQK-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076571478 1194576800 /nfs/dbraw/zinc/57/68/00/1194576800.db2.gz LOFUYWMUENBPCU-IXDOHACOSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076571478 1194576808 /nfs/dbraw/zinc/57/68/08/1194576808.db2.gz LOFUYWMUENBPCU-IXDOHACOSA-N 2 1 359.474 0.641 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001076576254 1194582644 /nfs/dbraw/zinc/58/26/44/1194582644.db2.gz CJWHAAYFSJDOCS-YTQUADARSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001076576254 1194582646 /nfs/dbraw/zinc/58/26/46/1194582646.db2.gz CJWHAAYFSJDOCS-YTQUADARSA-N 2 1 365.518 0.914 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796112 1224228974 /nfs/dbraw/zinc/22/89/74/1224228974.db2.gz WPXVPSLOJIMTRV-APWZRJJASA-N 3 1 363.506 0.594 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796112 1224228980 /nfs/dbraw/zinc/22/89/80/1224228980.db2.gz WPXVPSLOJIMTRV-APWZRJJASA-N 3 1 363.506 0.594 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001218911490 1224256073 /nfs/dbraw/zinc/25/60/73/1224256073.db2.gz FYOLWHNIVASGHW-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001218911490 1224256084 /nfs/dbraw/zinc/25/60/84/1224256084.db2.gz FYOLWHNIVASGHW-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001218911490 1224256093 /nfs/dbraw/zinc/25/60/93/1224256093.db2.gz FYOLWHNIVASGHW-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987148 1195117512 /nfs/dbraw/zinc/11/75/12/1195117512.db2.gz DRRVDOOIZHQDKA-CEXWTWQISA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987148 1195117516 /nfs/dbraw/zinc/11/75/16/1195117516.db2.gz DRRVDOOIZHQDKA-CEXWTWQISA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987148 1195117518 /nfs/dbraw/zinc/11/75/18/1195117518.db2.gz DRRVDOOIZHQDKA-CEXWTWQISA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987148 1195117524 /nfs/dbraw/zinc/11/75/24/1195117524.db2.gz DRRVDOOIZHQDKA-CEXWTWQISA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015125 1195143480 /nfs/dbraw/zinc/14/34/80/1195143480.db2.gz CPKXOCDSMVWGHY-MKXGPGLRSA-N 2 1 365.518 0.861 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131517 1195247493 /nfs/dbraw/zinc/24/74/93/1195247493.db2.gz DVNLJRUDUFKLHR-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131517 1195247498 /nfs/dbraw/zinc/24/74/98/1195247498.db2.gz DVNLJRUDUFKLHR-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077131517 1195247505 /nfs/dbraw/zinc/24/75/05/1195247505.db2.gz DVNLJRUDUFKLHR-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP Cc1ccc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220723 1195329405 /nfs/dbraw/zinc/32/94/05/1195329405.db2.gz RFKZCRYLKIFDDJ-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220723 1195329411 /nfs/dbraw/zinc/32/94/11/1195329411.db2.gz RFKZCRYLKIFDDJ-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220723 1195329415 /nfs/dbraw/zinc/32/94/15/1195329415.db2.gz RFKZCRYLKIFDDJ-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220723 1195329419 /nfs/dbraw/zinc/32/94/19/1195329419.db2.gz RFKZCRYLKIFDDJ-NXWXRZEISA-N 2 1 361.486 0.684 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CCC1 ZINC001077308671 1195410863 /nfs/dbraw/zinc/41/08/63/1195410863.db2.gz GFKYZAUOIFMJKW-KZNAEPCWSA-N 2 1 358.442 0.924 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396116 1195494876 /nfs/dbraw/zinc/49/48/76/1195494876.db2.gz OUFXRAHAVBKFFX-ZTFGCOKTSA-N 2 1 358.442 0.926 20 0 FCADMP CC1(C)CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418542 1195518515 /nfs/dbraw/zinc/51/85/15/1195518515.db2.gz UCDXMVXSNADDPY-ARLDDLHVSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418542 1195518520 /nfs/dbraw/zinc/51/85/20/1195518520.db2.gz UCDXMVXSNADDPY-ARLDDLHVSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001077418542 1195518527 /nfs/dbraw/zinc/51/85/27/1195518527.db2.gz UCDXMVXSNADDPY-ARLDDLHVSA-N 2 1 363.502 0.447 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580165 1195528563 /nfs/dbraw/zinc/52/85/63/1195528563.db2.gz UINPORQTDCSDCN-JQHSSLGASA-N 2 1 362.474 0.424 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591394 1195590977 /nfs/dbraw/zinc/59/09/77/1195590977.db2.gz ATWZFZXXPMWELI-QGTPRVQTSA-N 2 1 358.442 0.844 20 0 FCADMP C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000906150966 1195615768 /nfs/dbraw/zinc/61/57/68/1195615768.db2.gz SDTCUZDSEBNVNL-SFHVURJKSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000906150966 1195615773 /nfs/dbraw/zinc/61/57/73/1195615773.db2.gz SDTCUZDSEBNVNL-SFHVURJKSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000906150966 1195615780 /nfs/dbraw/zinc/61/57/80/1195615780.db2.gz SDTCUZDSEBNVNL-SFHVURJKSA-N 2 1 373.545 0.807 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)C1 ZINC000906604681 1195641530 /nfs/dbraw/zinc/64/15/30/1195641530.db2.gz FLXCVNRPADUIIR-QGZVFWFLSA-N 2 1 365.522 0.620 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000906604681 1195641531 /nfs/dbraw/zinc/64/15/31/1195641531.db2.gz FLXCVNRPADUIIR-QGZVFWFLSA-N 2 1 365.522 0.620 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000906604681 1195641536 /nfs/dbraw/zinc/64/15/36/1195641536.db2.gz FLXCVNRPADUIIR-QGZVFWFLSA-N 2 1 365.522 0.620 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000907835947 1195714791 /nfs/dbraw/zinc/71/47/91/1195714791.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000907835947 1195714793 /nfs/dbraw/zinc/71/47/93/1195714793.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 1 369.506 0.831 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000911080628 1195883890 /nfs/dbraw/zinc/88/38/90/1195883890.db2.gz PHCALIYILRKXNZ-INIZCTEOSA-N 2 1 360.458 0.001 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000911069827 1195886235 /nfs/dbraw/zinc/88/62/35/1195886235.db2.gz WSHFTZRARYKNIB-DLBZAZTESA-N 2 1 367.538 0.023 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000911069827 1195886239 /nfs/dbraw/zinc/88/62/39/1195886239.db2.gz WSHFTZRARYKNIB-DLBZAZTESA-N 2 1 367.538 0.023 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911099426 1195888757 /nfs/dbraw/zinc/88/87/57/1195888757.db2.gz DQZLAZXBPCLTAB-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911186330 1195904646 /nfs/dbraw/zinc/90/46/46/1195904646.db2.gz GSYLDPSFLYTAJQ-CEXWTWQISA-N 2 1 370.497 0.693 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000911243350 1195922063 /nfs/dbraw/zinc/92/20/63/1195922063.db2.gz OKSGBNLQEPARBX-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000911363375 1195942574 /nfs/dbraw/zinc/94/25/74/1195942574.db2.gz LLRUCUAABFSVSX-KRWDZBQOSA-N 2 1 358.486 0.665 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)[nH+]c1 ZINC000911365211 1195945326 /nfs/dbraw/zinc/94/53/26/1195945326.db2.gz VPMAQNPPOXFRBI-QGZVFWFLSA-N 2 1 367.453 0.749 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360714 1196321963 /nfs/dbraw/zinc/32/19/63/1196321963.db2.gz NEVGCOFUYWCOFJ-MYZZLAAOSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccnn2C)CC3)O1 ZINC000991360714 1196321966 /nfs/dbraw/zinc/32/19/66/1196321966.db2.gz NEVGCOFUYWCOFJ-MYZZLAAOSA-N 2 1 361.490 0.752 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150896579 1196359807 /nfs/dbraw/zinc/35/98/07/1196359807.db2.gz JVJSJVRUEVJKBT-UHFFFAOYSA-N 2 1 361.450 0.485 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083668980 1196392007 /nfs/dbraw/zinc/39/20/07/1196392007.db2.gz OMNATYOCVYAFOL-CEXWTWQISA-N 2 1 365.518 0.839 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592560409 1196569285 /nfs/dbraw/zinc/56/92/85/1196569285.db2.gz NHENSYYKDJHGBW-SJORKVTESA-N 2 1 374.533 0.961 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)CC1 ZINC001030330217 1196681521 /nfs/dbraw/zinc/68/15/21/1196681521.db2.gz SZRDEHNDVAIDKM-IPELMVKDSA-N 2 1 365.518 0.960 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001219116118 1224360586 /nfs/dbraw/zinc/36/05/86/1224360586.db2.gz KMBNTJBQWVKMOG-SFHVURJKSA-N 3 1 373.501 0.488 20 0 FCADMP CN1C[C@@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001219116118 1224360588 /nfs/dbraw/zinc/36/05/88/1224360588.db2.gz KMBNTJBQWVKMOG-SFHVURJKSA-N 2 1 373.501 0.488 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCN1CC(=O)N(C)C ZINC001088872123 1196821032 /nfs/dbraw/zinc/82/10/32/1196821032.db2.gz AMCGLKWEPFHWSW-YSHGAJCASA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC[N@@H+]1CC(=O)N(C)C ZINC001088872123 1196821034 /nfs/dbraw/zinc/82/10/34/1196821034.db2.gz AMCGLKWEPFHWSW-YSHGAJCASA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC[N@H+]1CC(=O)N(C)C ZINC001088872123 1196821037 /nfs/dbraw/zinc/82/10/37/1196821037.db2.gz AMCGLKWEPFHWSW-YSHGAJCASA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1CC(=O)N(C)C ZINC001088872123 1196821039 /nfs/dbraw/zinc/82/10/39/1196821039.db2.gz AMCGLKWEPFHWSW-YSHGAJCASA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1CC(=O)N(C)C ZINC001088872123 1196821043 /nfs/dbraw/zinc/82/10/43/1196821043.db2.gz AMCGLKWEPFHWSW-YSHGAJCASA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088969006 1196851194 /nfs/dbraw/zinc/85/11/94/1196851194.db2.gz BUEBBIRPWCIQIP-QAPCUYQASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088969006 1196851195 /nfs/dbraw/zinc/85/11/95/1196851195.db2.gz BUEBBIRPWCIQIP-QAPCUYQASA-N 2 1 362.518 0.920 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C)cn1 ZINC001089053159 1196876532 /nfs/dbraw/zinc/87/65/32/1196876532.db2.gz LXRKJAQBYCXJMZ-NJAFHUGGSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C)cn1 ZINC001089053159 1196876533 /nfs/dbraw/zinc/87/65/33/1196876533.db2.gz LXRKJAQBYCXJMZ-NJAFHUGGSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C)cn1 ZINC001089053159 1196876535 /nfs/dbraw/zinc/87/65/35/1196876535.db2.gz LXRKJAQBYCXJMZ-NJAFHUGGSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C)cn1 ZINC001089053159 1196876536 /nfs/dbraw/zinc/87/65/36/1196876536.db2.gz LXRKJAQBYCXJMZ-NJAFHUGGSA-N 2 1 363.506 0.745 20 0 FCADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5c[nH+]cn54)CC3)[C@H]2C1 ZINC001272447403 1197082318 /nfs/dbraw/zinc/08/23/18/1197082318.db2.gz XGXZIFMTVMJONV-HRCADAONSA-N 2 1 357.458 0.429 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5c[nH+]cn54)CC3)[C@H]2C1 ZINC001272447403 1197082322 /nfs/dbraw/zinc/08/23/22/1197082322.db2.gz XGXZIFMTVMJONV-HRCADAONSA-N 2 1 357.458 0.429 20 0 FCADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5c[nH+]cn54)CC3)[C@@H]2C1 ZINC001272447410 1197082366 /nfs/dbraw/zinc/08/23/66/1197082366.db2.gz XGXZIFMTVMJONV-OAGGEKHMSA-N 2 1 357.458 0.429 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5c[nH+]cn54)CC3)[C@@H]2C1 ZINC001272447410 1197082369 /nfs/dbraw/zinc/08/23/69/1197082369.db2.gz XGXZIFMTVMJONV-OAGGEKHMSA-N 2 1 357.458 0.429 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000992400821 1197089269 /nfs/dbraw/zinc/08/92/69/1197089269.db2.gz NWYCKYKHNWRQPO-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC(O)(C[NH+](C)C)CC1)n2C ZINC000913678808 1197107255 /nfs/dbraw/zinc/10/72/55/1197107255.db2.gz YAMXIHSCZNAQRI-UHFFFAOYSA-N 2 1 360.462 0.563 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000913996979 1197196241 /nfs/dbraw/zinc/19/62/41/1197196241.db2.gz DAGQCYLYEHLHGD-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000913996979 1197196242 /nfs/dbraw/zinc/19/62/42/1197196242.db2.gz DAGQCYLYEHLHGD-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000913996979 1197196244 /nfs/dbraw/zinc/19/62/44/1197196244.db2.gz DAGQCYLYEHLHGD-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992690225 1197306566 /nfs/dbraw/zinc/30/65/66/1197306566.db2.gz SOQRGNYZSNFKMR-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992690225 1197306571 /nfs/dbraw/zinc/30/65/71/1197306571.db2.gz SOQRGNYZSNFKMR-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719732 1197651304 /nfs/dbraw/zinc/65/13/04/1197651304.db2.gz SQYSJQMPGHUHCG-JQHSSLGASA-N 2 1 363.506 0.512 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719732 1197651309 /nfs/dbraw/zinc/65/13/09/1197651309.db2.gz SQYSJQMPGHUHCG-JQHSSLGASA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719732 1197651317 /nfs/dbraw/zinc/65/13/17/1197651317.db2.gz SQYSJQMPGHUHCG-JQHSSLGASA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719732 1197651324 /nfs/dbraw/zinc/65/13/24/1197651324.db2.gz SQYSJQMPGHUHCG-JQHSSLGASA-N 2 1 363.506 0.512 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC000993050048 1197740973 /nfs/dbraw/zinc/74/09/73/1197740973.db2.gz ZZJWYCOVARWQDN-OXJNMPFZSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085275521 1197781761 /nfs/dbraw/zinc/78/17/61/1197781761.db2.gz LATUFHBOCZEDGO-HUUCEWRRSA-N 2 1 361.446 0.358 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1 ZINC000993079773 1197803061 /nfs/dbraw/zinc/80/30/61/1197803061.db2.gz BYBDPHVZAWRKSR-ABSDTBQOSA-N 2 1 362.518 0.587 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085308668 1197809748 /nfs/dbraw/zinc/80/97/48/1197809748.db2.gz CGTCUUXXUNNXSF-BRWVUGGUSA-N 2 1 366.506 0.345 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)C1 ZINC001085308668 1197809751 /nfs/dbraw/zinc/80/97/51/1197809751.db2.gz CGTCUUXXUNNXSF-BRWVUGGUSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000993133844 1197852960 /nfs/dbraw/zinc/85/29/60/1197852960.db2.gz GNEGBJRZHUKJHQ-FRQCXROJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000993133844 1197852961 /nfs/dbraw/zinc/85/29/61/1197852961.db2.gz GNEGBJRZHUKJHQ-FRQCXROJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000993137453 1197861038 /nfs/dbraw/zinc/86/10/38/1197861038.db2.gz XBOMRZPAYAACOX-AXVVYFOYSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000993137453 1197861043 /nfs/dbraw/zinc/86/10/43/1197861043.db2.gz XBOMRZPAYAACOX-AXVVYFOYSA-N 2 1 373.501 0.839 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589163 1197863998 /nfs/dbraw/zinc/86/39/98/1197863998.db2.gz FMIKSSSTCDCNHJ-CABCVRRESA-N 2 1 370.413 0.185 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323033 1197864068 /nfs/dbraw/zinc/86/40/68/1197864068.db2.gz VMIBCVQXROOJLB-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085393862 1197865546 /nfs/dbraw/zinc/86/55/46/1197865546.db2.gz NBTMOPFDULHFBB-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855485 1197894025 /nfs/dbraw/zinc/89/40/25/1197894025.db2.gz FKBSZSNNNJARLH-NLWGTHIKSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855485 1197894026 /nfs/dbraw/zinc/89/40/26/1197894026.db2.gz FKBSZSNNNJARLH-NLWGTHIKSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855485 1197894028 /nfs/dbraw/zinc/89/40/28/1197894028.db2.gz FKBSZSNNNJARLH-NLWGTHIKSA-N 2 1 359.470 0.603 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1 ZINC000993154395 1197894177 /nfs/dbraw/zinc/89/41/77/1197894177.db2.gz FLUSIWOZQANGSE-FCEWJHQRSA-N 2 1 360.502 0.341 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001085429556 1197895982 /nfs/dbraw/zinc/89/59/82/1197895982.db2.gz WUTNXOQCHFKFSZ-KZNAEPCWSA-N 2 1 363.506 0.966 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001085429556 1197895985 /nfs/dbraw/zinc/89/59/85/1197895985.db2.gz WUTNXOQCHFKFSZ-KZNAEPCWSA-N 2 1 363.506 0.966 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993163379 1197914883 /nfs/dbraw/zinc/91/48/83/1197914883.db2.gz DUWAXXAMIYTCLL-GJYPPUQNSA-N 2 1 361.490 0.839 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993166258 1197917124 /nfs/dbraw/zinc/91/71/24/1197917124.db2.gz RKGPWOLESCHCFG-GJYPPUQNSA-N 2 1 361.490 0.839 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273383967 1198075753 /nfs/dbraw/zinc/07/57/53/1198075753.db2.gz FEHPGMYIJCHOFC-LPHOPBHVSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273383967 1198075763 /nfs/dbraw/zinc/07/57/63/1198075763.db2.gz FEHPGMYIJCHOFC-LPHOPBHVSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273383968 1198076811 /nfs/dbraw/zinc/07/68/11/1198076811.db2.gz FEHPGMYIJCHOFC-QFBILLFUSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273383968 1198076819 /nfs/dbraw/zinc/07/68/19/1198076819.db2.gz FEHPGMYIJCHOFC-QFBILLFUSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)OCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404343 1198133247 /nfs/dbraw/zinc/13/32/47/1198133247.db2.gz JQQMCEGZYBBKMR-SJLPKXTDSA-N 2 1 371.522 0.416 20 0 FCADMP CC(C)OCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404343 1198133250 /nfs/dbraw/zinc/13/32/50/1198133250.db2.gz JQQMCEGZYBBKMR-SJLPKXTDSA-N 2 1 371.522 0.416 20 0 FCADMP CC(C)OCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404343 1198133254 /nfs/dbraw/zinc/13/32/54/1198133254.db2.gz JQQMCEGZYBBKMR-SJLPKXTDSA-N 2 1 371.522 0.416 20 0 FCADMP CC(C)OCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404343 1198133257 /nfs/dbraw/zinc/13/32/57/1198133257.db2.gz JQQMCEGZYBBKMR-SJLPKXTDSA-N 2 1 371.522 0.416 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086119954 1198179182 /nfs/dbraw/zinc/17/91/82/1198179182.db2.gz GXVYYWZMXYZRKW-ZJPYXAASSA-N 2 1 363.506 0.703 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086119954 1198179193 /nfs/dbraw/zinc/17/91/93/1198179193.db2.gz GXVYYWZMXYZRKW-ZJPYXAASSA-N 2 1 363.506 0.703 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001086371262 1198334753 /nfs/dbraw/zinc/33/47/53/1198334753.db2.gz YNHLBTYCMARUDU-ZQDZILKHSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001086371262 1198334762 /nfs/dbraw/zinc/33/47/62/1198334762.db2.gz YNHLBTYCMARUDU-ZQDZILKHSA-N 2 1 365.478 0.931 20 0 FCADMP CCn1cc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086400408 1198356764 /nfs/dbraw/zinc/35/67/64/1198356764.db2.gz FVVYGIVTCGPGHI-VDHUWJSZSA-N 2 1 363.506 0.649 20 0 FCADMP CCn1cc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086400408 1198356771 /nfs/dbraw/zinc/35/67/71/1198356771.db2.gz FVVYGIVTCGPGHI-VDHUWJSZSA-N 2 1 363.506 0.649 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000746384284 1199019387 /nfs/dbraw/zinc/01/93/87/1199019387.db2.gz YFQYZRKPTBFJEC-INIZCTEOSA-N 2 1 363.506 0.624 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCC2 ZINC001169096911 1199045728 /nfs/dbraw/zinc/04/57/28/1199045728.db2.gz ZRFLDYCMQBLTLW-YYIAUSFCSA-N 2 1 361.490 0.800 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCC2 ZINC001169096911 1199045733 /nfs/dbraw/zinc/04/57/33/1199045733.db2.gz ZRFLDYCMQBLTLW-YYIAUSFCSA-N 2 1 361.490 0.800 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134467 1199047586 /nfs/dbraw/zinc/04/75/86/1199047586.db2.gz UPZGHGWOHDJJFA-QDMKHBRRSA-N 2 1 361.490 0.949 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169137557 1199048317 /nfs/dbraw/zinc/04/83/17/1199048317.db2.gz CSQJJZAVOWKEGD-BCDXTJNWSA-N 2 1 372.513 0.962 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169137557 1199048327 /nfs/dbraw/zinc/04/83/27/1199048327.db2.gz CSQJJZAVOWKEGD-BCDXTJNWSA-N 2 1 372.513 0.962 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169137557 1199048330 /nfs/dbraw/zinc/04/83/30/1199048330.db2.gz CSQJJZAVOWKEGD-BCDXTJNWSA-N 2 1 372.513 0.962 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134466 1199048928 /nfs/dbraw/zinc/04/89/28/1199048928.db2.gz UPZGHGWOHDJJFA-FICVDOATSA-N 2 1 361.490 0.949 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001169254396 1199058708 /nfs/dbraw/zinc/05/87/08/1199058708.db2.gz UUVMHGNPFZUFKL-LMMKCTJWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001169254396 1199058712 /nfs/dbraw/zinc/05/87/12/1199058712.db2.gz UUVMHGNPFZUFKL-LMMKCTJWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129337516 1199078255 /nfs/dbraw/zinc/07/82/55/1199078255.db2.gz LGRIWIYPAFGLRG-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129337516 1199078272 /nfs/dbraw/zinc/07/82/72/1199078272.db2.gz LGRIWIYPAFGLRG-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP c1cc(N2CC[NH2+]CC2)nc(NCc2ccc(N3CCOCC3)nn2)[nH+]1 ZINC001169735961 1199088848 /nfs/dbraw/zinc/08/88/48/1199088848.db2.gz CSFYHWRGGQXZAN-UHFFFAOYSA-N 2 1 356.434 0.125 20 0 FCADMP N[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727158 1224579560 /nfs/dbraw/zinc/57/95/60/1224579560.db2.gz YEVBSUYTYJDGKH-NQIIRXRSSA-N 3 1 371.529 0.295 20 0 FCADMP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725505 1224578345 /nfs/dbraw/zinc/57/83/45/1224578345.db2.gz FIIKVIJMNIPWBO-QRVBRYPASA-N 3 1 371.529 0.294 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725505 1224578357 /nfs/dbraw/zinc/57/83/57/1224578357.db2.gz FIIKVIJMNIPWBO-QRVBRYPASA-N 3 1 371.529 0.294 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725505 1224578362 /nfs/dbraw/zinc/57/83/62/1224578362.db2.gz FIIKVIJMNIPWBO-QRVBRYPASA-N 3 1 371.529 0.294 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001129384762 1200088776 /nfs/dbraw/zinc/08/87/76/1200088776.db2.gz ALPBDPMDEKPPAA-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385967 1200110223 /nfs/dbraw/zinc/11/02/23/1200110223.db2.gz ULJKVVLSKGDWGB-DJAVDHGHSA-N 2 1 364.494 0.554 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001109402265 1200249707 /nfs/dbraw/zinc/24/97/07/1200249707.db2.gz LHNHCODTVOAJAB-VUHPKUFZSA-N 2 1 358.486 0.947 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449521 1200289261 /nfs/dbraw/zinc/28/92/61/1200289261.db2.gz YUVJRDBVGQLYIV-UGUYLWEFSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449521 1200289274 /nfs/dbraw/zinc/28/92/74/1200289274.db2.gz YUVJRDBVGQLYIV-UGUYLWEFSA-N 2 1 366.506 0.330 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219765905 1224602094 /nfs/dbraw/zinc/60/20/94/1224602094.db2.gz HAUTUJJDYAQGES-QRKMNUTDSA-N 2 1 369.513 0.122 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219765905 1224602099 /nfs/dbraw/zinc/60/20/99/1224602099.db2.gz HAUTUJJDYAQGES-QRKMNUTDSA-N 2 1 369.513 0.122 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469651 1200311549 /nfs/dbraw/zinc/31/15/49/1200311549.db2.gz BXCWYULNJBLUQI-OWSLCNJRSA-N 2 1 362.474 0.637 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109717140 1200475035 /nfs/dbraw/zinc/47/50/35/1200475035.db2.gz BFUFMCZAZAJMKE-BGTYHANMSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717140 1200475051 /nfs/dbraw/zinc/47/50/51/1200475051.db2.gz BFUFMCZAZAJMKE-BGTYHANMSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717140 1200475055 /nfs/dbraw/zinc/47/50/55/1200475055.db2.gz BFUFMCZAZAJMKE-BGTYHANMSA-N 2 1 366.506 0.345 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796799 1224617364 /nfs/dbraw/zinc/61/73/64/1224617364.db2.gz QQKGGZPJVAFYPC-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796799 1224617370 /nfs/dbraw/zinc/61/73/70/1224617370.db2.gz QQKGGZPJVAFYPC-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796799 1224617373 /nfs/dbraw/zinc/61/73/73/1224617373.db2.gz QQKGGZPJVAFYPC-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796799 1224617381 /nfs/dbraw/zinc/61/73/81/1224617381.db2.gz QQKGGZPJVAFYPC-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000771317721 1200559737 /nfs/dbraw/zinc/55/97/37/1200559737.db2.gz WRSSLIJFAAKSRK-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000771317721 1200559743 /nfs/dbraw/zinc/55/97/43/1200559743.db2.gz WRSSLIJFAAKSRK-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000771317721 1200559748 /nfs/dbraw/zinc/55/97/48/1200559748.db2.gz WRSSLIJFAAKSRK-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)CC1 ZINC001109902314 1200600802 /nfs/dbraw/zinc/60/08/02/1200600802.db2.gz BKGBKMHXUWIEDS-IWCQGFGOSA-N 2 1 364.490 0.097 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001109902314 1200600808 /nfs/dbraw/zinc/60/08/08/1200600808.db2.gz BKGBKMHXUWIEDS-IWCQGFGOSA-N 2 1 364.490 0.097 20 0 FCADMP C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000771804125 1200650583 /nfs/dbraw/zinc/65/05/83/1200650583.db2.gz BYVCAQFEGMWJEL-DNVCBOLYSA-N 2 1 361.486 0.884 20 0 FCADMP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001109979104 1200661262 /nfs/dbraw/zinc/66/12/62/1200661262.db2.gz SXRBFHKGLOHBON-SQNIBIBYSA-N 2 1 363.506 0.745 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001109982621 1200675299 /nfs/dbraw/zinc/67/52/99/1200675299.db2.gz LMGVZQNACREELP-OWSLCNJRSA-N 2 1 363.502 0.999 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001109982517 1200675517 /nfs/dbraw/zinc/67/55/17/1200675517.db2.gz GUQJRJLZMASWPA-BDXSIMOUSA-N 2 1 363.502 0.999 20 0 FCADMP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806170 1224625940 /nfs/dbraw/zinc/62/59/40/1224625940.db2.gz MMFVLMWNTSHIDY-INIZCTEOSA-N 2 1 367.453 0.457 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001219806496 1224626203 /nfs/dbraw/zinc/62/62/03/1224626203.db2.gz YSCOZEDMMWVZSR-RISCZKNCSA-N 2 1 373.379 0.283 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1cccc2c1C[NH2+]CC2 ZINC001219809486 1224627950 /nfs/dbraw/zinc/62/79/50/1224627950.db2.gz MGSLWYVJRGIXMF-UHFFFAOYSA-N 2 1 353.426 0.312 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219814115 1224629553 /nfs/dbraw/zinc/62/95/53/1224629553.db2.gz SWZVRWTYBCZCIK-OTWHNJEPSA-N 2 1 361.486 0.236 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219814115 1224629557 /nfs/dbraw/zinc/62/95/57/1224629557.db2.gz SWZVRWTYBCZCIK-OTWHNJEPSA-N 2 1 361.486 0.236 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813685 1224630051 /nfs/dbraw/zinc/63/00/51/1224630051.db2.gz ZHMFDIUXHFJILG-NSHGMRRFSA-N 2 1 358.486 0.203 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813685 1224630059 /nfs/dbraw/zinc/63/00/59/1224630059.db2.gz ZHMFDIUXHFJILG-NSHGMRRFSA-N 2 1 358.486 0.203 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650793 1200779140 /nfs/dbraw/zinc/77/91/40/1200779140.db2.gz RTXDUXHFSGZLEW-IRXDYDNUSA-N 2 1 367.490 0.585 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650793 1200779151 /nfs/dbraw/zinc/77/91/51/1200779151.db2.gz RTXDUXHFSGZLEW-IRXDYDNUSA-N 2 1 367.490 0.585 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112563482 1200795802 /nfs/dbraw/zinc/79/58/02/1200795802.db2.gz XDYHMAUVHWLLMP-GUXCAODWSA-N 2 1 362.518 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112568001 1200802094 /nfs/dbraw/zinc/80/20/94/1200802094.db2.gz RXEHJFYDJWZHME-KHYOSLBOSA-N 2 1 364.490 0.352 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001112578374 1200816722 /nfs/dbraw/zinc/81/67/22/1200816722.db2.gz LUDSFEVCZXYEDC-UWVAXJGDSA-N 2 1 362.518 0.779 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111450 1200863917 /nfs/dbraw/zinc/86/39/17/1200863917.db2.gz YQAGRNLAMGKLTF-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219847849 1224652499 /nfs/dbraw/zinc/65/24/99/1224652499.db2.gz ARBJLUOBGXPMCR-QYZOEREBSA-N 2 1 363.502 0.985 20 0 FCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272992 1201182748 /nfs/dbraw/zinc/18/27/48/1201182748.db2.gz QHXRFMRYRSFSHO-SFHVURJKSA-N 2 1 372.510 0.358 20 0 FCADMP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001114296134 1201290963 /nfs/dbraw/zinc/29/09/63/1201290963.db2.gz IVACIRKBOLCZNA-GFEQUFNTSA-N 2 1 365.518 0.816 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129406957 1201297306 /nfs/dbraw/zinc/29/73/06/1201297306.db2.gz CRUQKWCHVHWIRX-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129406957 1201297315 /nfs/dbraw/zinc/29/73/15/1201297315.db2.gz CRUQKWCHVHWIRX-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129406957 1201297320 /nfs/dbraw/zinc/29/73/20/1201297320.db2.gz CRUQKWCHVHWIRX-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129406957 1201297324 /nfs/dbraw/zinc/29/73/24/1201297324.db2.gz CRUQKWCHVHWIRX-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129400431 1201306860 /nfs/dbraw/zinc/30/68/60/1201306860.db2.gz NZKAMLGZZKYFEX-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129400431 1201306865 /nfs/dbraw/zinc/30/68/65/1201306865.db2.gz NZKAMLGZZKYFEX-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129400431 1201306870 /nfs/dbraw/zinc/30/68/70/1201306870.db2.gz NZKAMLGZZKYFEX-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433804 1201314917 /nfs/dbraw/zinc/31/49/17/1201314917.db2.gz SOWYIOWDAWRNTB-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433804 1201314924 /nfs/dbraw/zinc/31/49/24/1201314924.db2.gz SOWYIOWDAWRNTB-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433804 1201314928 /nfs/dbraw/zinc/31/49/28/1201314928.db2.gz SOWYIOWDAWRNTB-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433804 1201314931 /nfs/dbraw/zinc/31/49/31/1201314931.db2.gz SOWYIOWDAWRNTB-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433803 1201315050 /nfs/dbraw/zinc/31/50/50/1201315050.db2.gz SOWYIOWDAWRNTB-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433803 1201315057 /nfs/dbraw/zinc/31/50/57/1201315057.db2.gz SOWYIOWDAWRNTB-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433803 1201315062 /nfs/dbraw/zinc/31/50/62/1201315062.db2.gz SOWYIOWDAWRNTB-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433803 1201315067 /nfs/dbraw/zinc/31/50/67/1201315067.db2.gz SOWYIOWDAWRNTB-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O)[NH+](C)C ZINC001219875971 1224666482 /nfs/dbraw/zinc/66/64/82/1224666482.db2.gz NDMGNSJIWAMTBN-QRVBRYPASA-N 2 1 361.486 0.761 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O)[NH+](C)C ZINC001219875971 1224666485 /nfs/dbraw/zinc/66/64/85/1224666485.db2.gz NDMGNSJIWAMTBN-QRVBRYPASA-N 2 1 361.486 0.761 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O)[NH+](C)C ZINC001219875271 1224666753 /nfs/dbraw/zinc/66/67/53/1224666753.db2.gz XBOARFHXAMHRQB-ZACQAIPSSA-N 2 1 362.474 0.048 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O)[NH+](C)C ZINC001219875271 1224666758 /nfs/dbraw/zinc/66/67/58/1224666758.db2.gz XBOARFHXAMHRQB-ZACQAIPSSA-N 2 1 362.474 0.048 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129717650 1201377243 /nfs/dbraw/zinc/37/72/43/1201377243.db2.gz OBTNLENLVWLQBV-PMPSAXMXSA-N 2 1 368.457 0.090 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129717650 1201377249 /nfs/dbraw/zinc/37/72/49/1201377249.db2.gz OBTNLENLVWLQBV-PMPSAXMXSA-N 2 1 368.457 0.090 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892132 1201415998 /nfs/dbraw/zinc/41/59/98/1201415998.db2.gz JOGJRIFCGJPVSF-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001129932017 1201434883 /nfs/dbraw/zinc/43/48/83/1201434883.db2.gz JOZKSGFUCBOXFG-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129985474 1201460371 /nfs/dbraw/zinc/46/03/71/1201460371.db2.gz YMJCQDLVDCXGLB-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001129992067 1201470504 /nfs/dbraw/zinc/47/05/04/1201470504.db2.gz KCIPIXCNBFBTFM-IMJJTQAJSA-N 2 1 358.450 0.123 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006232 1201476149 /nfs/dbraw/zinc/47/61/49/1201476149.db2.gz YRTJRTYKDDWBKF-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219904249 1224676307 /nfs/dbraw/zinc/67/63/07/1224676307.db2.gz AZVMJDFVCXUPMP-BBWFWOEESA-N 2 1 371.522 0.464 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219904249 1224676311 /nfs/dbraw/zinc/67/63/11/1224676311.db2.gz AZVMJDFVCXUPMP-BBWFWOEESA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219904249 1224676314 /nfs/dbraw/zinc/67/63/14/1224676314.db2.gz AZVMJDFVCXUPMP-BBWFWOEESA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219904249 1224676319 /nfs/dbraw/zinc/67/63/19/1224676319.db2.gz AZVMJDFVCXUPMP-BBWFWOEESA-N 2 1 371.522 0.464 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1 ZINC001130096189 1201499071 /nfs/dbraw/zinc/49/90/71/1201499071.db2.gz AJGQCSKUWMNDGA-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP COc1ccc(OCCC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130184218 1201536037 /nfs/dbraw/zinc/53/60/37/1201536037.db2.gz GTFBEJWJWVWYLH-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP COc1ccc(OCCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130184218 1201536038 /nfs/dbraw/zinc/53/60/38/1201536038.db2.gz GTFBEJWJWVWYLH-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+]2CCCCC2)n1 ZINC001130251227 1201570563 /nfs/dbraw/zinc/57/05/63/1201570563.db2.gz JEHCOEJKMWSLRH-GJZGRUSLSA-N 2 1 364.494 0.779 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001130251227 1201570565 /nfs/dbraw/zinc/57/05/65/1201570565.db2.gz JEHCOEJKMWSLRH-GJZGRUSLSA-N 2 1 364.494 0.779 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001219987759 1224716621 /nfs/dbraw/zinc/71/66/21/1224716621.db2.gz ZHLOWWBDIQAOKQ-SJORKVTESA-N 2 1 359.430 0.469 20 0 FCADMP CC(C)[C@@](C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022182 1224730092 /nfs/dbraw/zinc/73/00/92/1224730092.db2.gz BABXZRAQFAXNRM-QFBILLFUSA-N 2 1 358.486 0.724 20 0 FCADMP CC(C)[C@@](C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022182 1224730094 /nfs/dbraw/zinc/73/00/94/1224730094.db2.gz BABXZRAQFAXNRM-QFBILLFUSA-N 2 1 358.486 0.724 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130532119 1202710627 /nfs/dbraw/zinc/71/06/27/1202710627.db2.gz VGIFSOVOSGZYJH-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607877 1202733685 /nfs/dbraw/zinc/73/36/85/1202733685.db2.gz PCNCDHPNKGIARY-FUHWJXTLSA-N 2 1 363.506 0.825 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130628382 1202734763 /nfs/dbraw/zinc/73/47/63/1202734763.db2.gz OIYKDIAQPDOHSC-UKPHBRMFSA-N 2 1 360.462 0.544 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672539 1202752403 /nfs/dbraw/zinc/75/24/03/1202752403.db2.gz RRWFYZALJOBGDU-YQQAZPJKSA-N 2 1 365.522 0.663 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672564 1202752492 /nfs/dbraw/zinc/75/24/92/1202752492.db2.gz SYXUBMQSFXGFQE-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001220069826 1224744088 /nfs/dbraw/zinc/74/40/88/1224744088.db2.gz OFEPSOCSBGJOQT-HNNXBMFYSA-N 2 1 370.457 0.911 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001220071670 1224745376 /nfs/dbraw/zinc/74/53/76/1224745376.db2.gz MUEUEUKWUWTYAK-IFXJQAMLSA-N 2 1 351.410 0.698 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220073541 1224745968 /nfs/dbraw/zinc/74/59/68/1224745968.db2.gz HIBLVHCASNNDIR-JKSUJKDBSA-N 2 1 351.410 0.701 20 0 FCADMP COC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130804349 1202800756 /nfs/dbraw/zinc/80/07/56/1202800756.db2.gz DXXVXHNLRFMACR-MELADBBJSA-N 2 1 368.482 0.217 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946004 1202827589 /nfs/dbraw/zinc/82/75/89/1202827589.db2.gz HZGRZVYIVOYAIV-JFIYKMOQSA-N 2 1 363.506 0.681 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946004 1202827590 /nfs/dbraw/zinc/82/75/90/1202827590.db2.gz HZGRZVYIVOYAIV-JFIYKMOQSA-N 2 1 363.506 0.681 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070402 1202856317 /nfs/dbraw/zinc/85/63/17/1202856317.db2.gz UBYYNDMCMTZJHO-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121351 1202866083 /nfs/dbraw/zinc/86/60/83/1202866083.db2.gz UHNJXAWEYWRGNO-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131316719 1202886266 /nfs/dbraw/zinc/88/62/66/1202886266.db2.gz SWSPDSXVAQJRSU-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131316719 1202886268 /nfs/dbraw/zinc/88/62/68/1202886268.db2.gz SWSPDSXVAQJRSU-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131316719 1202886271 /nfs/dbraw/zinc/88/62/71/1202886271.db2.gz SWSPDSXVAQJRSU-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001131318956 1202886999 /nfs/dbraw/zinc/88/69/99/1202886999.db2.gz ZGRXRUCZLLPBPL-BBWFWOEESA-N 2 1 364.490 0.988 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001131318956 1202887001 /nfs/dbraw/zinc/88/70/01/1202887001.db2.gz ZGRXRUCZLLPBPL-BBWFWOEESA-N 2 1 364.490 0.988 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131313463 1202888020 /nfs/dbraw/zinc/88/80/20/1202888020.db2.gz SVBMDGINZWRYMG-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131313463 1202888023 /nfs/dbraw/zinc/88/80/23/1202888023.db2.gz SVBMDGINZWRYMG-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1 ZINC001131597212 1202919763 /nfs/dbraw/zinc/91/97/63/1202919763.db2.gz QUICWGGYXORVEC-APWZRJJASA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134121297 1203015019 /nfs/dbraw/zinc/01/50/19/1203015019.db2.gz WJSBSYCDXUFVRA-SJORKVTESA-N 2 1 371.489 0.805 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134121297 1203015022 /nfs/dbraw/zinc/01/50/22/1203015022.db2.gz WJSBSYCDXUFVRA-SJORKVTESA-N 2 1 371.489 0.805 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086734201 1203061314 /nfs/dbraw/zinc/06/13/14/1203061314.db2.gz XKSBTENUQRNOCI-XHSDSOJGSA-N 2 1 364.490 0.494 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001086788187 1203094063 /nfs/dbraw/zinc/09/40/63/1203094063.db2.gz DOHSIOJKHWDUAF-GVDBMIGSSA-N 2 1 371.489 0.920 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000817402825 1203104801 /nfs/dbraw/zinc/10/48/01/1203104801.db2.gz XUAFMZJUDPWCRN-INIZCTEOSA-N 2 1 373.501 0.930 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001170877751 1203115068 /nfs/dbraw/zinc/11/50/68/1203115068.db2.gz GQFZZTHFJXXTQK-SOUVJXGZSA-N 2 1 366.510 0.603 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@H]1Cc1ccccc1 ZINC000817993310 1203132044 /nfs/dbraw/zinc/13/20/44/1203132044.db2.gz FGNHFZNEEKEVDP-NQIIRXRSSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@H]1Cc1ccccc1 ZINC000817993310 1203132048 /nfs/dbraw/zinc/13/20/48/1203132048.db2.gz FGNHFZNEEKEVDP-NQIIRXRSSA-N 2 1 370.497 0.726 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823807873 1203272109 /nfs/dbraw/zinc/27/21/09/1203272109.db2.gz QLXMFLDFBSEXJT-KXBFYZLASA-N 2 1 366.506 0.997 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107622 1203279146 /nfs/dbraw/zinc/27/91/46/1203279146.db2.gz PHYZXMDHMOINED-MHORFTMASA-N 2 1 369.506 0.339 20 0 FCADMP C[N@@H+]1CCCN(CCNC(=O)[C@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675379 1203323692 /nfs/dbraw/zinc/32/36/92/1203323692.db2.gz HRVWTBDQRJWZLQ-RBUKOAKNSA-N 2 1 360.502 0.376 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)CC1 ZINC001143675379 1203323693 /nfs/dbraw/zinc/32/36/93/1203323693.db2.gz HRVWTBDQRJWZLQ-RBUKOAKNSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)CC1 ZINC001143675379 1203323695 /nfs/dbraw/zinc/32/36/95/1203323695.db2.gz HRVWTBDQRJWZLQ-RBUKOAKNSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143675379 1203323696 /nfs/dbraw/zinc/32/36/96/1203323696.db2.gz HRVWTBDQRJWZLQ-RBUKOAKNSA-N 2 1 360.502 0.376 20 0 FCADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143682594 1203325318 /nfs/dbraw/zinc/32/53/18/1203325318.db2.gz XKHXFXIKGUHKDE-MSOLQXFVSA-N 2 1 361.486 0.978 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001220159114 1224791320 /nfs/dbraw/zinc/79/13/20/1224791320.db2.gz MRKOZHGIKKMWRS-BBRMVZONSA-N 2 1 359.426 0.969 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220225544 1224808773 /nfs/dbraw/zinc/80/87/73/1224808773.db2.gz HGFPJIXYXLIALV-VQIMIIECSA-N 2 1 371.441 0.213 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001220307183 1224824459 /nfs/dbraw/zinc/82/44/59/1224824459.db2.gz TZHFKYKNQOSSRJ-GOSISDBHSA-N 2 1 355.486 0.858 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000844226525 1204380846 /nfs/dbraw/zinc/38/08/46/1204380846.db2.gz MTNWYPXJJHJSTQ-GOSISDBHSA-N 2 1 362.474 0.901 20 0 FCADMP CN(CC(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)C(N)=[NH2+] ZINC001144132657 1204423280 /nfs/dbraw/zinc/42/32/80/1204423280.db2.gz ZQJQZFRZAPSBPH-XIRDDKMYSA-N 2 1 358.490 0.966 20 0 FCADMP CN(CC(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21)C(N)=[NH2+] ZINC001144132226 1204423612 /nfs/dbraw/zinc/42/36/12/1204423612.db2.gz JZIKCMINWIBXNR-INMHGKMJSA-N 2 1 360.462 0.097 20 0 FCADMP CN(CC(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21)C(N)=[NH2+] ZINC001144132226 1204423615 /nfs/dbraw/zinc/42/36/15/1204423615.db2.gz JZIKCMINWIBXNR-INMHGKMJSA-N 2 1 360.462 0.097 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)CN(C)C(N)=[NH2+] ZINC001144140811 1204423926 /nfs/dbraw/zinc/42/39/26/1204423926.db2.gz IXYSICMBRQJFEI-UHFFFAOYSA-N 2 1 360.418 0.615 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001091038773 1204453867 /nfs/dbraw/zinc/45/38/67/1204453867.db2.gz GGSCLUPQJGSDQK-FPCDFSMTSA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001091038773 1204453870 /nfs/dbraw/zinc/45/38/70/1204453870.db2.gz GGSCLUPQJGSDQK-FPCDFSMTSA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001091038773 1204453872 /nfs/dbraw/zinc/45/38/72/1204453872.db2.gz GGSCLUPQJGSDQK-FPCDFSMTSA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[NH+](CC)CC ZINC001220344567 1224835555 /nfs/dbraw/zinc/83/55/55/1224835555.db2.gz CISZNXBZQIEQAI-QRVBRYPASA-N 2 1 363.502 0.961 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[NH+](CC)CC ZINC001220344567 1224835561 /nfs/dbraw/zinc/83/55/61/1224835561.db2.gz CISZNXBZQIEQAI-QRVBRYPASA-N 2 1 363.502 0.961 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345447 1224836823 /nfs/dbraw/zinc/83/68/23/1224836823.db2.gz WJSSMCXJNBUZMC-SQNIBIBYSA-N 2 1 365.522 0.782 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345447 1224836828 /nfs/dbraw/zinc/83/68/28/1224836828.db2.gz WJSSMCXJNBUZMC-SQNIBIBYSA-N 2 1 365.522 0.782 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544237 1204709111 /nfs/dbraw/zinc/70/91/11/1204709111.db2.gz XEHAJBMGDCOLOJ-CLCXKQKWSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544237 1204709116 /nfs/dbraw/zinc/70/91/16/1204709116.db2.gz XEHAJBMGDCOLOJ-CLCXKQKWSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544237 1204709123 /nfs/dbraw/zinc/70/91/23/1204709123.db2.gz XEHAJBMGDCOLOJ-CLCXKQKWSA-N 2 1 362.474 0.010 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565356 1204726546 /nfs/dbraw/zinc/72/65/46/1204726546.db2.gz LVEBNIAMGJQUQA-LMMKCTJWSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565356 1204726549 /nfs/dbraw/zinc/72/65/49/1204726549.db2.gz LVEBNIAMGJQUQA-LMMKCTJWSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565356 1204726552 /nfs/dbraw/zinc/72/65/52/1204726552.db2.gz LVEBNIAMGJQUQA-LMMKCTJWSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565356 1204726556 /nfs/dbraw/zinc/72/65/56/1204726556.db2.gz LVEBNIAMGJQUQA-LMMKCTJWSA-N 2 1 361.490 0.074 20 0 FCADMP c1ccc(N2CC[NH2+]CC2)c(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001171282686 1204736074 /nfs/dbraw/zinc/73/60/74/1204736074.db2.gz YHVUAQUZIYLUDM-UHFFFAOYSA-N 3 1 353.474 0.908 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373004 1224847994 /nfs/dbraw/zinc/84/79/94/1224847994.db2.gz VIUSJPGUMXOOEC-QRQLOZEOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373004 1224847999 /nfs/dbraw/zinc/84/79/99/1224847999.db2.gz VIUSJPGUMXOOEC-QRQLOZEOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373004 1224848002 /nfs/dbraw/zinc/84/80/02/1224848002.db2.gz VIUSJPGUMXOOEC-QRQLOZEOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373004 1224848005 /nfs/dbraw/zinc/84/80/05/1224848005.db2.gz VIUSJPGUMXOOEC-QRQLOZEOSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388063 1224853390 /nfs/dbraw/zinc/85/33/90/1224853390.db2.gz ZCHUVMTVNWZRJY-JQHSSLGASA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583963 1204799083 /nfs/dbraw/zinc/79/90/83/1204799083.db2.gz ZBSHRNSWQWISQZ-FGTMMUONSA-N 2 1 367.534 0.894 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583963 1204799086 /nfs/dbraw/zinc/79/90/86/1204799086.db2.gz ZBSHRNSWQWISQZ-FGTMMUONSA-N 2 1 367.534 0.894 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583963 1204799091 /nfs/dbraw/zinc/79/90/91/1204799091.db2.gz ZBSHRNSWQWISQZ-FGTMMUONSA-N 2 1 367.534 0.894 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774489 1204807044 /nfs/dbraw/zinc/80/70/44/1204807044.db2.gz WNQUXXAJCNMTPO-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774489 1204807048 /nfs/dbraw/zinc/80/70/48/1204807048.db2.gz WNQUXXAJCNMTPO-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774489 1204807049 /nfs/dbraw/zinc/80/70/49/1204807049.db2.gz WNQUXXAJCNMTPO-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774489 1204807051 /nfs/dbraw/zinc/80/70/51/1204807051.db2.gz WNQUXXAJCNMTPO-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666876 1204812726 /nfs/dbraw/zinc/81/27/26/1204812726.db2.gz JOLMCHNZZDGRIW-MDYRTPRTSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666876 1204812728 /nfs/dbraw/zinc/81/27/28/1204812728.db2.gz JOLMCHNZZDGRIW-MDYRTPRTSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091666876 1204812729 /nfs/dbraw/zinc/81/27/29/1204812729.db2.gz JOLMCHNZZDGRIW-MDYRTPRTSA-N 2 1 362.518 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720820 1204832198 /nfs/dbraw/zinc/83/21/98/1204832198.db2.gz CXZJEPDPRPGIRV-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738022 1204837690 /nfs/dbraw/zinc/83/76/90/1204837690.db2.gz NENLNJQMCIKGLP-MDZRGWNJSA-N 2 1 363.506 0.132 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001086879921 1204855710 /nfs/dbraw/zinc/85/57/10/1204855710.db2.gz FBVZCEHWWVWYPT-UXLLHSPISA-N 2 1 364.494 0.393 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001086879921 1204855711 /nfs/dbraw/zinc/85/57/11/1204855711.db2.gz FBVZCEHWWVWYPT-UXLLHSPISA-N 2 1 364.494 0.393 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)C1 ZINC001086875311 1204858514 /nfs/dbraw/zinc/85/85/14/1204858514.db2.gz NGWOINDQIWJBEJ-SOUVJXGZSA-N 2 1 363.510 0.754 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)cn1 ZINC001086973298 1204872763 /nfs/dbraw/zinc/87/27/63/1204872763.db2.gz YQPPESXANHXJDE-KSZLIROESA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)cn1 ZINC001086973298 1204872767 /nfs/dbraw/zinc/87/27/67/1204872767.db2.gz YQPPESXANHXJDE-KSZLIROESA-N 2 1 361.490 0.435 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086989318 1204882099 /nfs/dbraw/zinc/88/20/99/1204882099.db2.gz VHIJXLWDJSWJFZ-LWVGGODOSA-N 2 1 359.474 0.187 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001087009498 1204897163 /nfs/dbraw/zinc/89/71/63/1204897163.db2.gz JDGCHKJRLCONIQ-HYVNUMGLSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001087009498 1204897165 /nfs/dbraw/zinc/89/71/65/1204897165.db2.gz JDGCHKJRLCONIQ-HYVNUMGLSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2cnn(C)c2)n1 ZINC001087010271 1204897969 /nfs/dbraw/zinc/89/79/69/1204897969.db2.gz TVDLPBAYMKXMHU-ZWKOTPCHSA-N 2 1 371.489 0.334 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087038674 1204917433 /nfs/dbraw/zinc/91/74/33/1204917433.db2.gz SGWPNTZLOVZSOK-OIISXLGYSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087038674 1204917448 /nfs/dbraw/zinc/91/74/48/1204917448.db2.gz SGWPNTZLOVZSOK-OIISXLGYSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059527 1204944283 /nfs/dbraw/zinc/94/42/83/1204944283.db2.gz KIYCPUAOVPMDJW-RHSMWYFYSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087063387 1204949835 /nfs/dbraw/zinc/94/98/35/1204949835.db2.gz WJCJAFCKSTVIPJ-HYVNUMGLSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087062922 1204950245 /nfs/dbraw/zinc/95/02/45/1204950245.db2.gz BAHPJAVARPAKQR-HYVNUMGLSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083737 1204970325 /nfs/dbraw/zinc/97/03/25/1204970325.db2.gz QMYNFEXEGTYSFD-FRFSOERESA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083520 1204970451 /nfs/dbraw/zinc/97/04/51/1204970451.db2.gz IQSOXYFUQJNKCC-LZLYRXPVSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087083728 1204971644 /nfs/dbraw/zinc/97/16/44/1204971644.db2.gz QIQWDKDRYDWDQI-NUEKZKHPSA-N 2 1 364.494 0.408 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087101068 1204997890 /nfs/dbraw/zinc/99/78/90/1204997890.db2.gz RQIOEYBMBANYDO-CGTJXYLNSA-N 2 1 363.506 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087096209 1205003260 /nfs/dbraw/zinc/00/32/60/1205003260.db2.gz CMDBROYBMTWTHA-LZLYRXPVSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087096888 1205004653 /nfs/dbraw/zinc/00/46/53/1205004653.db2.gz JFNGWNKRWGAKPA-HUUCEWRRSA-N 2 1 363.462 0.427 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787130 1205012658 /nfs/dbraw/zinc/01/26/58/1205012658.db2.gz SAFWZQOQQUIQKH-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787130 1205012662 /nfs/dbraw/zinc/01/26/62/1205012662.db2.gz SAFWZQOQQUIQKH-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787130 1205012666 /nfs/dbraw/zinc/01/26/66/1205012666.db2.gz SAFWZQOQQUIQKH-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787131 1205012932 /nfs/dbraw/zinc/01/29/32/1205012932.db2.gz SAFWZQOQQUIQKH-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787131 1205012935 /nfs/dbraw/zinc/01/29/35/1205012935.db2.gz SAFWZQOQQUIQKH-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091787131 1205012940 /nfs/dbraw/zinc/01/29/40/1205012940.db2.gz SAFWZQOQQUIQKH-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776763 1205024944 /nfs/dbraw/zinc/02/49/44/1205024944.db2.gz ONQZALYVEXPZHF-MDZRGWNJSA-N 2 1 362.518 0.907 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091856502 1205052160 /nfs/dbraw/zinc/05/21/60/1205052160.db2.gz UIGDSADLYAFHSA-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091856502 1205052165 /nfs/dbraw/zinc/05/21/65/1205052165.db2.gz UIGDSADLYAFHSA-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013143 1205113415 /nfs/dbraw/zinc/11/34/15/1205113415.db2.gz JAQAXXKXHMCLRP-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013143 1205113423 /nfs/dbraw/zinc/11/34/23/1205113423.db2.gz JAQAXXKXHMCLRP-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@@]3(C)C2)C1 ZINC001092013143 1205113435 /nfs/dbraw/zinc/11/34/35/1205113435.db2.gz JAQAXXKXHMCLRP-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC1 ZINC001092071070 1205133410 /nfs/dbraw/zinc/13/34/10/1205133410.db2.gz FTBSQMPNDNEVLW-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188012 1205187556 /nfs/dbraw/zinc/18/75/56/1205187556.db2.gz KNKHIWPPFFMZEL-ZTQAJYAQSA-N 2 1 362.518 0.763 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203378 1205197957 /nfs/dbraw/zinc/19/79/57/1205197957.db2.gz MOKHVYMCANSULC-MDZRGWNJSA-N 2 1 360.502 0.483 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273049 1205220942 /nfs/dbraw/zinc/22/09/42/1205220942.db2.gz LAOCHOLDILPZIK-HLIPFELVSA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273049 1205220943 /nfs/dbraw/zinc/22/09/43/1205220943.db2.gz LAOCHOLDILPZIK-HLIPFELVSA-N 2 1 358.486 0.617 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)cc1=O ZINC001092273049 1205220945 /nfs/dbraw/zinc/22/09/45/1205220945.db2.gz LAOCHOLDILPZIK-HLIPFELVSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001092275553 1205222450 /nfs/dbraw/zinc/22/24/50/1205222450.db2.gz INOVMRUSCIXICR-XLIONFOSSA-N 2 1 362.518 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC3(C[NH+](CCCO)C3)n3ccnc32)CC[N@@H+]1C ZINC001092373655 1205277259 /nfs/dbraw/zinc/27/72/59/1205277259.db2.gz WNHGWNMZNDTKBJ-HRCADAONSA-N 2 1 361.490 0.568 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC3(C[NH+](CCCO)C3)n3ccnc32)CC[N@H+]1C ZINC001092373655 1205277265 /nfs/dbraw/zinc/27/72/65/1205277265.db2.gz WNHGWNMZNDTKBJ-HRCADAONSA-N 2 1 361.490 0.568 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604315 1205317970 /nfs/dbraw/zinc/31/79/70/1205317970.db2.gz GDTOXYVVJFOFDF-KFWWJZLASA-N 2 1 364.494 0.165 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604315 1205317972 /nfs/dbraw/zinc/31/79/72/1205317972.db2.gz GDTOXYVVJFOFDF-KFWWJZLASA-N 2 1 364.494 0.165 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001092604315 1205317977 /nfs/dbraw/zinc/31/79/77/1205317977.db2.gz GDTOXYVVJFOFDF-KFWWJZLASA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611071 1205319856 /nfs/dbraw/zinc/31/98/56/1205319856.db2.gz HEQIUHZNHZYCJA-SZVBFZGTSA-N 2 1 359.518 0.989 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615828 1205329443 /nfs/dbraw/zinc/32/94/43/1205329443.db2.gz QQQCVENJACYVLM-IIAWOOMASA-N 2 1 364.494 0.006 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)CC[N@H+]1C ZINC001092618729 1205329765 /nfs/dbraw/zinc/32/97/65/1205329765.db2.gz ZWMCRRXLYCMMFF-WCXIOVBPSA-N 2 1 365.522 0.426 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001092618729 1205329766 /nfs/dbraw/zinc/32/97/66/1205329766.db2.gz ZWMCRRXLYCMMFF-WCXIOVBPSA-N 2 1 365.522 0.426 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)CC[NH+]1C ZINC001092618729 1205329767 /nfs/dbraw/zinc/32/97/67/1205329767.db2.gz ZWMCRRXLYCMMFF-WCXIOVBPSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910386 1205940886 /nfs/dbraw/zinc/94/08/86/1205940886.db2.gz BRYXQXGPFKOWJK-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910386 1205940890 /nfs/dbraw/zinc/94/08/90/1205940890.db2.gz BRYXQXGPFKOWJK-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910386 1205940897 /nfs/dbraw/zinc/94/08/97/1205940897.db2.gz BRYXQXGPFKOWJK-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911463 1205940945 /nfs/dbraw/zinc/94/09/45/1205940945.db2.gz RVSCWZCVDQALQS-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911463 1205940952 /nfs/dbraw/zinc/94/09/52/1205940952.db2.gz RVSCWZCVDQALQS-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)C1 ZINC001092911463 1205940958 /nfs/dbraw/zinc/94/09/58/1205940958.db2.gz RVSCWZCVDQALQS-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931278 1205961773 /nfs/dbraw/zinc/96/17/73/1205961773.db2.gz JYYLGNDOTYMFHE-UKRRQHHQSA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931278 1205961774 /nfs/dbraw/zinc/96/17/74/1205961774.db2.gz JYYLGNDOTYMFHE-UKRRQHHQSA-N 2 1 364.494 0.662 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220547852 1224920321 /nfs/dbraw/zinc/92/03/21/1224920321.db2.gz KILCCUNNHSIYPI-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220547852 1224920330 /nfs/dbraw/zinc/92/03/30/1224920330.db2.gz KILCCUNNHSIYPI-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040525 1206001582 /nfs/dbraw/zinc/00/15/82/1206001582.db2.gz REMALIGXUWJKEI-HZPDHXFCSA-N 2 1 371.489 0.733 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040525 1206001588 /nfs/dbraw/zinc/00/15/88/1206001588.db2.gz REMALIGXUWJKEI-HZPDHXFCSA-N 2 1 371.489 0.733 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195347 1206052849 /nfs/dbraw/zinc/05/28/49/1206052849.db2.gz NOHFJWDXPMVGIH-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195347 1206052852 /nfs/dbraw/zinc/05/28/52/1206052852.db2.gz NOHFJWDXPMVGIH-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195347 1206052855 /nfs/dbraw/zinc/05/28/55/1206052855.db2.gz NOHFJWDXPMVGIH-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001220553378 1224927066 /nfs/dbraw/zinc/92/70/66/1224927066.db2.gz HENFGPJXZGQXLS-MSOLQXFVSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001220553378 1224927074 /nfs/dbraw/zinc/92/70/74/1224927074.db2.gz HENFGPJXZGQXLS-MSOLQXFVSA-N 2 1 365.518 0.840 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093820227 1206123116 /nfs/dbraw/zinc/12/31/16/1206123116.db2.gz HKQOXTLISGDLAV-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093816967 1206134659 /nfs/dbraw/zinc/13/46/59/1206134659.db2.gz VRBXIUJMUKJTAD-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001093864211 1206137121 /nfs/dbraw/zinc/13/71/21/1206137121.db2.gz JORWBRSBSDSNGH-OAGGEKHMSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093883844 1206143106 /nfs/dbraw/zinc/14/31/06/1206143106.db2.gz AUESKKKDOPPBQI-OAGGEKHMSA-N 2 1 363.510 0.515 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC001093920916 1206150009 /nfs/dbraw/zinc/15/00/09/1206150009.db2.gz AWQUTPJUXJNEPA-DJIMGWMZSA-N 2 1 361.490 0.885 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)C1 ZINC001093993400 1206165164 /nfs/dbraw/zinc/16/51/64/1206165164.db2.gz LBLFCHBAGOQJNM-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)C1 ZINC001093993400 1206165165 /nfs/dbraw/zinc/16/51/65/1206165165.db2.gz LBLFCHBAGOQJNM-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001094041025 1206174020 /nfs/dbraw/zinc/17/40/20/1206174020.db2.gz UNAFDQFNBNBKAM-RBSFLKMASA-N 2 1 365.478 0.884 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)C2 ZINC001094043641 1206175214 /nfs/dbraw/zinc/17/52/14/1206175214.db2.gz QWERZEVJUVYADC-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094114155 1206186420 /nfs/dbraw/zinc/18/64/20/1206186420.db2.gz VWPKYKLPHSCBLL-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094113852 1206186453 /nfs/dbraw/zinc/18/64/53/1206186453.db2.gz GPZWILOZUVEZFS-RHSMWYFYSA-N 2 1 371.489 0.770 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094165647 1206197965 /nfs/dbraw/zinc/19/79/65/1206197965.db2.gz VIBARCNBENZYMM-OWCLPIDISA-N 2 1 363.510 0.780 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)nn1 ZINC001094221282 1206203787 /nfs/dbraw/zinc/20/37/87/1206203787.db2.gz CPIJLTIJHLMODA-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)C1 ZINC001094234098 1206208841 /nfs/dbraw/zinc/20/88/41/1206208841.db2.gz KMKDLFFDXSHZHM-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)C1 ZINC001094234098 1206208844 /nfs/dbraw/zinc/20/88/44/1206208844.db2.gz KMKDLFFDXSHZHM-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)nn1 ZINC001094232629 1206209085 /nfs/dbraw/zinc/20/90/85/1206209085.db2.gz ZXEQVPJPQZPWEX-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)nn1 ZINC001094232629 1206209086 /nfs/dbraw/zinc/20/90/86/1206209086.db2.gz ZXEQVPJPQZPWEX-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417147 1206224278 /nfs/dbraw/zinc/22/42/78/1206224278.db2.gz JRWCCKNRGDXKHL-SQGPQFPESA-N 2 1 362.518 0.777 20 0 FCADMP O=C(C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12)NC1CC1 ZINC001094560763 1206238334 /nfs/dbraw/zinc/23/83/34/1206238334.db2.gz WLUFEQTVQRMXGN-VQIMIIECSA-N 2 1 360.502 0.722 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485750 1206249409 /nfs/dbraw/zinc/24/94/09/1206249409.db2.gz DGRZBQDIQYYINF-ZMSDIMECSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485750 1206249415 /nfs/dbraw/zinc/24/94/15/1206249415.db2.gz DGRZBQDIQYYINF-ZMSDIMECSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500292 1206249718 /nfs/dbraw/zinc/24/97/18/1206249718.db2.gz KJLLIXYSNSXUNU-GVDBMIGSSA-N 2 1 370.538 0.837 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500292 1206249720 /nfs/dbraw/zinc/24/97/20/1206249720.db2.gz KJLLIXYSNSXUNU-GVDBMIGSSA-N 2 1 370.538 0.837 20 0 FCADMP CCn1ncc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001171500962 1206249724 /nfs/dbraw/zinc/24/97/24/1206249724.db2.gz OHDKLFNYIOGATE-BFYDXBDKSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1ncc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001171500962 1206249726 /nfs/dbraw/zinc/24/97/26/1206249726.db2.gz OHDKLFNYIOGATE-BFYDXBDKSA-N 2 1 366.510 0.782 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013552 1206254798 /nfs/dbraw/zinc/25/47/98/1206254798.db2.gz JFCUOLMIMFOEOV-UBDQQSCGSA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013552 1206254802 /nfs/dbraw/zinc/25/48/02/1206254802.db2.gz JFCUOLMIMFOEOV-UBDQQSCGSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013552 1206254806 /nfs/dbraw/zinc/25/48/06/1206254806.db2.gz JFCUOLMIMFOEOV-UBDQQSCGSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013552 1206254808 /nfs/dbraw/zinc/25/48/08/1206254808.db2.gz JFCUOLMIMFOEOV-UBDQQSCGSA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C2 ZINC001172109075 1206257799 /nfs/dbraw/zinc/25/77/99/1206257799.db2.gz AOZAMLDKTQQIED-MHORFTMASA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C2 ZINC001172109075 1206257801 /nfs/dbraw/zinc/25/78/01/1206257801.db2.gz AOZAMLDKTQQIED-MHORFTMASA-N 2 1 358.486 0.804 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175678 1206258833 /nfs/dbraw/zinc/25/88/33/1206258833.db2.gz VEPYEFPYWBDYDO-WKULXVSPSA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175678 1206258834 /nfs/dbraw/zinc/25/88/34/1206258834.db2.gz VEPYEFPYWBDYDO-WKULXVSPSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175678 1206258835 /nfs/dbraw/zinc/25/88/35/1206258835.db2.gz VEPYEFPYWBDYDO-WKULXVSPSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]21 ZINC001172175678 1206258836 /nfs/dbraw/zinc/25/88/36/1206258836.db2.gz VEPYEFPYWBDYDO-WKULXVSPSA-N 2 1 358.490 0.826 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CC1 ZINC001172255669 1206260747 /nfs/dbraw/zinc/26/07/47/1206260747.db2.gz ZYSAJCSXJNYWPG-YJBOKZPZSA-N 2 1 361.490 0.816 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CC1 ZINC001172255669 1206260751 /nfs/dbraw/zinc/26/07/51/1206260751.db2.gz ZYSAJCSXJNYWPG-YJBOKZPZSA-N 2 1 361.490 0.816 20 0 FCADMP CC[NH+](CC)CCN1CC[NH+]([C@@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173573596 1206280212 /nfs/dbraw/zinc/28/02/12/1206280212.db2.gz WFRIYIZXBBDCAT-OSYLJGHBSA-N 2 1 369.506 0.687 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)C(C)C ZINC001220572915 1224942108 /nfs/dbraw/zinc/94/21/08/1224942108.db2.gz NTZSDUFBXMCOLC-SQNIBIBYSA-N 2 1 365.522 0.490 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220576611 1224943178 /nfs/dbraw/zinc/94/31/78/1224943178.db2.gz IIUICTGHBKVBCP-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O ZINC001220576611 1224943182 /nfs/dbraw/zinc/94/31/82/1224943182.db2.gz IIUICTGHBKVBCP-SJORKVTESA-N 2 1 362.474 0.049 20 0 FCADMP OC(C[NH+]1CCC[C@@H](C2OCCO2)C1)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000773749394 1206359426 /nfs/dbraw/zinc/35/94/26/1206359426.db2.gz VPBXSRXWADWLDQ-HZPDHXFCSA-N 2 1 370.490 0.517 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCCN2CCCC2=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178983260 1206369733 /nfs/dbraw/zinc/36/97/33/1206369733.db2.gz XEJSMRIJJJGNKE-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCCN2CCCC2=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178983260 1206369736 /nfs/dbraw/zinc/36/97/36/1206369736.db2.gz XEJSMRIJJJGNKE-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001180406413 1206395098 /nfs/dbraw/zinc/39/50/98/1206395098.db2.gz JETGCBREQBKWLB-DLBZAZTESA-N 2 1 357.454 0.682 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001181517498 1206410924 /nfs/dbraw/zinc/41/09/24/1206410924.db2.gz HFJYOXOTDLHJHQ-BASYENTBSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ccn(C)n1 ZINC001181875271 1206416662 /nfs/dbraw/zinc/41/66/62/1206416662.db2.gz XHRHQXZQEBSUFE-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ccn(C)n1 ZINC001181875271 1206416664 /nfs/dbraw/zinc/41/66/64/1206416664.db2.gz XHRHQXZQEBSUFE-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)NC1CC1 ZINC001181884549 1206417014 /nfs/dbraw/zinc/41/70/14/1206417014.db2.gz GCQDVJTVXSRYQN-NPNMTCQASA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CC(=O)NC1CC1 ZINC001181884549 1206417015 /nfs/dbraw/zinc/41/70/15/1206417015.db2.gz GCQDVJTVXSRYQN-NPNMTCQASA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001181994404 1206418504 /nfs/dbraw/zinc/41/85/04/1206418504.db2.gz JBPZRKGPSBVTJQ-SFHVURJKSA-N 2 1 374.533 0.847 20 0 FCADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220585598 1224951381 /nfs/dbraw/zinc/95/13/81/1224951381.db2.gz QPLSRPZWMKTALN-KRWDZBQOSA-N 3 1 374.485 0.058 20 0 FCADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220585598 1224951387 /nfs/dbraw/zinc/95/13/87/1224951387.db2.gz QPLSRPZWMKTALN-KRWDZBQOSA-N 3 1 374.485 0.058 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1 ZINC001183372695 1206452700 /nfs/dbraw/zinc/45/27/00/1206452700.db2.gz FWLJFFRFHUMULL-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1 ZINC001183372695 1206452702 /nfs/dbraw/zinc/45/27/02/1206452702.db2.gz FWLJFFRFHUMULL-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001185227694 1206475896 /nfs/dbraw/zinc/47/58/96/1206475896.db2.gz XHKGJYKSBYUGHP-WBVHZDCISA-N 2 1 355.442 0.920 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001185227694 1206475898 /nfs/dbraw/zinc/47/58/98/1206475898.db2.gz XHKGJYKSBYUGHP-WBVHZDCISA-N 2 1 355.442 0.920 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001185251272 1206477099 /nfs/dbraw/zinc/47/70/99/1206477099.db2.gz MHXSVPDMNFMPCL-ZMMAXQRCSA-N 2 1 373.501 0.427 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001185251272 1206477102 /nfs/dbraw/zinc/47/71/02/1206477102.db2.gz MHXSVPDMNFMPCL-ZMMAXQRCSA-N 2 1 373.501 0.427 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001185942364 1206488789 /nfs/dbraw/zinc/48/87/89/1206488789.db2.gz KHBWNRNYIAQRRT-DJIMGWMZSA-N 2 1 364.494 0.254 20 0 FCADMP COCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185943678 1206488803 /nfs/dbraw/zinc/48/88/03/1206488803.db2.gz UFWUEFWQTGWMPY-DJIMGWMZSA-N 2 1 364.494 0.518 20 0 FCADMP COCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943678 1206488805 /nfs/dbraw/zinc/48/88/05/1206488805.db2.gz UFWUEFWQTGWMPY-DJIMGWMZSA-N 2 1 364.494 0.518 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405486 1207454793 /nfs/dbraw/zinc/45/47/93/1207454793.db2.gz IKLKEVQEMXITEL-MAUKXSAKSA-N 2 1 371.485 0.719 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405486 1207454798 /nfs/dbraw/zinc/45/47/98/1207454798.db2.gz IKLKEVQEMXITEL-MAUKXSAKSA-N 2 1 371.485 0.719 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188964197 1207493081 /nfs/dbraw/zinc/49/30/81/1207493081.db2.gz ZBLPFWDBGVESCX-GOEBONIOSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188964197 1207493085 /nfs/dbraw/zinc/49/30/85/1207493085.db2.gz ZBLPFWDBGVESCX-GOEBONIOSA-N 2 1 359.474 0.860 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963205 1207493395 /nfs/dbraw/zinc/49/33/95/1207493395.db2.gz LWISVKXFEBEBIQ-DOTOQJQBSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963205 1207493398 /nfs/dbraw/zinc/49/33/98/1207493398.db2.gz LWISVKXFEBEBIQ-DOTOQJQBSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188971234 1207493504 /nfs/dbraw/zinc/49/35/04/1207493504.db2.gz RTLRISCGHQCPFP-BHYGNILZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188971234 1207493511 /nfs/dbraw/zinc/49/35/11/1207493511.db2.gz RTLRISCGHQCPFP-BHYGNILZSA-N 2 1 362.518 0.776 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188962854 1207493519 /nfs/dbraw/zinc/49/35/19/1207493519.db2.gz IGPSSRYUHWYOSL-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188962854 1207493521 /nfs/dbraw/zinc/49/35/21/1207493521.db2.gz IGPSSRYUHWYOSL-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062301 1207499696 /nfs/dbraw/zinc/49/96/96/1207499696.db2.gz RBDFBVFPTNYWPW-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062301 1207499700 /nfs/dbraw/zinc/49/97/00/1207499700.db2.gz RBDFBVFPTNYWPW-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544566 1207565010 /nfs/dbraw/zinc/56/50/10/1207565010.db2.gz PAUAFGADIODBLA-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544566 1207565013 /nfs/dbraw/zinc/56/50/13/1207565013.db2.gz PAUAFGADIODBLA-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189793992 1207601626 /nfs/dbraw/zinc/60/16/26/1207601626.db2.gz MIUSPPRCTJNDIJ-DOTOQJQBSA-N 2 1 362.474 0.701 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189793992 1207601630 /nfs/dbraw/zinc/60/16/30/1207601630.db2.gz MIUSPPRCTJNDIJ-DOTOQJQBSA-N 2 1 362.474 0.701 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189810807 1207604103 /nfs/dbraw/zinc/60/41/03/1207604103.db2.gz IBXMUHSYAMXGHE-ZWKOTPCHSA-N 2 1 363.506 0.611 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913446 1207620613 /nfs/dbraw/zinc/62/06/13/1207620613.db2.gz QYDYYHOFBGYMBE-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913446 1207620615 /nfs/dbraw/zinc/62/06/15/1207620615.db2.gz QYDYYHOFBGYMBE-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913446 1207620618 /nfs/dbraw/zinc/62/06/18/1207620618.db2.gz QYDYYHOFBGYMBE-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913446 1207620622 /nfs/dbraw/zinc/62/06/22/1207620622.db2.gz QYDYYHOFBGYMBE-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189913446 1207620627 /nfs/dbraw/zinc/62/06/27/1207620627.db2.gz QYDYYHOFBGYMBE-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157415 1207654554 /nfs/dbraw/zinc/65/45/54/1207654554.db2.gz HYBNBDVNHDTFNL-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157415 1207654556 /nfs/dbraw/zinc/65/45/56/1207654556.db2.gz HYBNBDVNHDTFNL-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157415 1207654563 /nfs/dbraw/zinc/65/45/63/1207654563.db2.gz HYBNBDVNHDTFNL-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157415 1207654569 /nfs/dbraw/zinc/65/45/69/1207654569.db2.gz HYBNBDVNHDTFNL-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157415 1207654571 /nfs/dbraw/zinc/65/45/71/1207654571.db2.gz HYBNBDVNHDTFNL-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001190178021 1207657510 /nfs/dbraw/zinc/65/75/10/1207657510.db2.gz URRCCCCPZLPHRY-NZSAHSFTSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001190178021 1207657514 /nfs/dbraw/zinc/65/75/14/1207657514.db2.gz URRCCCCPZLPHRY-NZSAHSFTSA-N 2 1 365.518 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001190246339 1207667942 /nfs/dbraw/zinc/66/79/42/1207667942.db2.gz ATONQWFMAFFFJK-YESZJQIVSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCNC(=O)NC(C)C)C2)CC[NH+]1C ZINC001190246339 1207667947 /nfs/dbraw/zinc/66/79/47/1207667947.db2.gz ATONQWFMAFFFJK-YESZJQIVSA-N 2 1 367.538 0.957 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688830 1225015154 /nfs/dbraw/zinc/01/51/54/1225015154.db2.gz RBKWLGFUUJOVCH-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688830 1225015162 /nfs/dbraw/zinc/01/51/62/1225015162.db2.gz RBKWLGFUUJOVCH-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220688830 1225015173 /nfs/dbraw/zinc/01/51/73/1225015173.db2.gz RBKWLGFUUJOVCH-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP C[N@@H+](CC(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001273641409 1207838054 /nfs/dbraw/zinc/83/80/54/1207838054.db2.gz JGVSGELOYUHJIX-KRWDZBQOSA-N 2 1 362.518 0.920 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756410 1207890386 /nfs/dbraw/zinc/89/03/86/1207890386.db2.gz QQKGGZPJVAFYPC-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756410 1207890387 /nfs/dbraw/zinc/89/03/87/1207890387.db2.gz QQKGGZPJVAFYPC-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193756410 1207890388 /nfs/dbraw/zinc/89/03/88/1207890388.db2.gz QQKGGZPJVAFYPC-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193756410 1207890390 /nfs/dbraw/zinc/89/03/90/1207890390.db2.gz QQKGGZPJVAFYPC-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193756525 1207890429 /nfs/dbraw/zinc/89/04/29/1207890429.db2.gz SOVUCZFGOGBWOC-QRQLOZEOSA-N 2 1 360.502 0.754 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193756525 1207890431 /nfs/dbraw/zinc/89/04/31/1207890431.db2.gz SOVUCZFGOGBWOC-QRQLOZEOSA-N 2 1 360.502 0.754 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805619 1207891798 /nfs/dbraw/zinc/89/17/98/1207891798.db2.gz QAXRVXYQJGZPIC-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805619 1207891799 /nfs/dbraw/zinc/89/17/99/1207891799.db2.gz QAXRVXYQJGZPIC-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805619 1207891803 /nfs/dbraw/zinc/89/18/03/1207891803.db2.gz QAXRVXYQJGZPIC-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805619 1207891806 /nfs/dbraw/zinc/89/18/06/1207891806.db2.gz QAXRVXYQJGZPIC-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001194259639 1207927557 /nfs/dbraw/zinc/92/75/57/1207927557.db2.gz ZYGNFBVCOXIPKC-HZPDHXFCSA-N 2 1 366.510 0.340 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001194259639 1207927558 /nfs/dbraw/zinc/92/75/58/1207927558.db2.gz ZYGNFBVCOXIPKC-HZPDHXFCSA-N 2 1 366.510 0.340 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001194259639 1207927559 /nfs/dbraw/zinc/92/75/59/1207927559.db2.gz ZYGNFBVCOXIPKC-HZPDHXFCSA-N 2 1 366.510 0.340 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001194729389 1207971647 /nfs/dbraw/zinc/97/16/47/1207971647.db2.gz WNRBNNVBEGSMCK-QZTJIDSGSA-N 2 1 358.442 0.926 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001194729389 1207971650 /nfs/dbraw/zinc/97/16/50/1207971650.db2.gz WNRBNNVBEGSMCK-QZTJIDSGSA-N 2 1 358.442 0.926 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001194721525 1207974269 /nfs/dbraw/zinc/97/42/69/1207974269.db2.gz UMRRHKOMZUTBRR-QZTJIDSGSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001194721525 1207974274 /nfs/dbraw/zinc/97/42/74/1207974274.db2.gz UMRRHKOMZUTBRR-QZTJIDSGSA-N 2 1 364.490 0.950 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001195221697 1208011086 /nfs/dbraw/zinc/01/10/86/1208011086.db2.gz BXJBBNUEAIFGLE-BRWVUGGUSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195677482 1208032873 /nfs/dbraw/zinc/03/28/73/1208032873.db2.gz QVGMEPWVUKEPFV-IAGOWNOFSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001195677482 1208032874 /nfs/dbraw/zinc/03/28/74/1208032874.db2.gz QVGMEPWVUKEPFV-IAGOWNOFSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001195702119 1208035991 /nfs/dbraw/zinc/03/59/91/1208035991.db2.gz YWZRLMHMLPFIEZ-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001195702119 1208035997 /nfs/dbraw/zinc/03/59/97/1208035997.db2.gz YWZRLMHMLPFIEZ-BZUAXINKSA-N 2 1 363.458 0.330 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](CC)CC ZINC001196114922 1208058732 /nfs/dbraw/zinc/05/87/32/1208058732.db2.gz HDWXYSZHKCGGPS-BRWVUGGUSA-N 2 1 364.490 0.167 20 0 FCADMP CN(CCc1ccccc1)CC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1O ZINC001196222147 1208067429 /nfs/dbraw/zinc/06/74/29/1208067429.db2.gz HFNYISHXONKSHH-WOJBJXKFSA-N 2 1 368.481 0.917 20 0 FCADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798806 1208107001 /nfs/dbraw/zinc/10/70/01/1208107001.db2.gz UGMHNLAWQCJCPG-CGTJXYLNSA-N 2 1 365.522 0.902 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CC1 ZINC001196925036 1208119315 /nfs/dbraw/zinc/11/93/15/1208119315.db2.gz IDHRPYYBOOWCAV-KURKYZTESA-N 2 1 364.490 0.948 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CC1 ZINC001196925036 1208119318 /nfs/dbraw/zinc/11/93/18/1208119318.db2.gz IDHRPYYBOOWCAV-KURKYZTESA-N 2 1 364.490 0.948 20 0 FCADMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946650 1208123507 /nfs/dbraw/zinc/12/35/07/1208123507.db2.gz NVSCVYXNLVNWNK-QXAKKESOSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946650 1208123509 /nfs/dbraw/zinc/12/35/09/1208123509.db2.gz NVSCVYXNLVNWNK-QXAKKESOSA-N 2 1 361.486 0.940 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939875 1208123567 /nfs/dbraw/zinc/12/35/67/1208123567.db2.gz MFHUDLSJFFYTJI-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939875 1208123569 /nfs/dbraw/zinc/12/35/69/1208123569.db2.gz MFHUDLSJFFYTJI-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001197050024 1208131734 /nfs/dbraw/zinc/13/17/34/1208131734.db2.gz SRNWLSUVZZOLKV-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197058661 1208132104 /nfs/dbraw/zinc/13/21/04/1208132104.db2.gz VYJAGASHCIQNFF-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001197057776 1208132568 /nfs/dbraw/zinc/13/25/68/1208132568.db2.gz JHNFXMSIPMBLBG-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001197057776 1208132571 /nfs/dbraw/zinc/13/25/71/1208132571.db2.gz JHNFXMSIPMBLBG-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC001197253517 1208149069 /nfs/dbraw/zinc/14/90/69/1208149069.db2.gz LIXHASQOTIWTLO-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319374 1208152320 /nfs/dbraw/zinc/15/23/20/1208152320.db2.gz BVNWRUBBRZWCOF-KBAYOESNSA-N 2 1 369.506 0.218 20 0 FCADMP C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001197433116 1208163823 /nfs/dbraw/zinc/16/38/23/1208163823.db2.gz FUOLJPVPCODKJP-KBRIMQKVSA-N 2 1 359.430 0.203 20 0 FCADMP C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001197433115 1208163997 /nfs/dbraw/zinc/16/39/97/1208163997.db2.gz FUOLJPVPCODKJP-IAOVAPTHSA-N 2 1 359.430 0.203 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535690 1208170642 /nfs/dbraw/zinc/17/06/42/1208170642.db2.gz BBFJGUPEUDDTDL-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535690 1208170644 /nfs/dbraw/zinc/17/06/44/1208170644.db2.gz BBFJGUPEUDDTDL-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)OC)C[C@H]1O ZINC001197535690 1208170646 /nfs/dbraw/zinc/17/06/46/1208170646.db2.gz BBFJGUPEUDDTDL-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536260 1208172196 /nfs/dbraw/zinc/17/21/96/1208172196.db2.gz QLGYGABUVFAWCR-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536260 1208172198 /nfs/dbraw/zinc/17/21/98/1208172198.db2.gz QLGYGABUVFAWCR-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536260 1208172199 /nfs/dbraw/zinc/17/21/99/1208172199.db2.gz QLGYGABUVFAWCR-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001197776388 1208196145 /nfs/dbraw/zinc/19/61/45/1208196145.db2.gz VDIWMJRDCAAISQ-QZTJIDSGSA-N 2 1 364.490 0.721 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220746501 1225050446 /nfs/dbraw/zinc/05/04/46/1225050446.db2.gz CIKRWSKVXQNSQK-SJORKVTESA-N 2 1 366.510 0.342 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220746501 1225050457 /nfs/dbraw/zinc/05/04/57/1225050457.db2.gz CIKRWSKVXQNSQK-SJORKVTESA-N 2 1 366.510 0.342 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001199111926 1208321352 /nfs/dbraw/zinc/32/13/52/1208321352.db2.gz RTDMYLNALQVPIV-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001199111926 1208321358 /nfs/dbraw/zinc/32/13/58/1208321358.db2.gz RTDMYLNALQVPIV-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001199111926 1208321362 /nfs/dbraw/zinc/32/13/62/1208321362.db2.gz RTDMYLNALQVPIV-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001199111926 1208321366 /nfs/dbraw/zinc/32/13/66/1208321366.db2.gz RTDMYLNALQVPIV-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385353 1208345628 /nfs/dbraw/zinc/34/56/28/1208345628.db2.gz SWRSOSQAKGQMPK-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385353 1208345632 /nfs/dbraw/zinc/34/56/32/1208345632.db2.gz SWRSOSQAKGQMPK-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385353 1208345635 /nfs/dbraw/zinc/34/56/35/1208345635.db2.gz SWRSOSQAKGQMPK-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)Cc1ccccc1 ZINC001199385353 1208345638 /nfs/dbraw/zinc/34/56/38/1208345638.db2.gz SWRSOSQAKGQMPK-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCOC[C@@H]3CCCO3)CC2)O1 ZINC001201238875 1208449690 /nfs/dbraw/zinc/44/96/90/1208449690.db2.gz DMKLFSDCVAFVQI-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCOC[C@@H]3CCCO3)CC2)O1 ZINC001201238875 1208449693 /nfs/dbraw/zinc/44/96/93/1208449693.db2.gz DMKLFSDCVAFVQI-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCO[C@H]3CCOC3)CC2)O1 ZINC001201239071 1208449740 /nfs/dbraw/zinc/44/97/40/1208449740.db2.gz HALQFVDYHIDPPQ-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCO[C@H]3CCOC3)CC2)O1 ZINC001201239071 1208449743 /nfs/dbraw/zinc/44/97/43/1208449743.db2.gz HALQFVDYHIDPPQ-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)cnc3c1)C2 ZINC001110562293 1208451864 /nfs/dbraw/zinc/45/18/64/1208451864.db2.gz LRLMXSORVGGBLC-TWMKSMIVSA-N 2 1 358.442 0.985 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569232 1208462750 /nfs/dbraw/zinc/46/27/50/1208462750.db2.gz HFLLUOIEDWCZNT-TVFCKZIOSA-N 2 1 362.518 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569232 1208462756 /nfs/dbraw/zinc/46/27/56/1208462756.db2.gz HFLLUOIEDWCZNT-TVFCKZIOSA-N 2 1 362.518 0.917 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569257 1208463232 /nfs/dbraw/zinc/46/32/32/1208463232.db2.gz HUCZMCHGLHZLAG-HCXYKTFWSA-N 2 1 374.529 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569257 1208463240 /nfs/dbraw/zinc/46/32/40/1208463240.db2.gz HUCZMCHGLHZLAG-HCXYKTFWSA-N 2 1 374.529 0.918 20 0 FCADMP C[C@H](C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001488827165 1208551855 /nfs/dbraw/zinc/55/18/55/1208551855.db2.gz AMFQHMDKDCEINK-OXGONZEZSA-N 2 1 359.536 0.492 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220826255 1225091031 /nfs/dbraw/zinc/09/10/31/1225091031.db2.gz USEPCCXZISNTPS-SJORKVTESA-N 2 1 366.510 0.342 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220826255 1225091024 /nfs/dbraw/zinc/09/10/24/1225091024.db2.gz USEPCCXZISNTPS-SJORKVTESA-N 2 1 366.510 0.342 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220826255 1225091038 /nfs/dbraw/zinc/09/10/38/1225091038.db2.gz USEPCCXZISNTPS-SJORKVTESA-N 2 1 366.510 0.342 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665479 1209593096 /nfs/dbraw/zinc/59/30/96/1209593096.db2.gz XDEOWKAXJICHGM-VQHPVUNQSA-N 2 1 369.506 0.216 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087282 1209738677 /nfs/dbraw/zinc/73/86/77/1209738677.db2.gz RTOUPJPVXFZWJU-DYVFJYSZSA-N 2 1 363.462 0.476 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087282 1209738686 /nfs/dbraw/zinc/73/86/86/1209738686.db2.gz RTOUPJPVXFZWJU-DYVFJYSZSA-N 2 1 363.462 0.476 20 0 FCADMP Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001110740930 1209778208 /nfs/dbraw/zinc/77/82/08/1209778208.db2.gz JZRYPQNJMUCHED-DTDBQYNISA-N 2 1 362.474 0.553 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000861745478 1209879227 /nfs/dbraw/zinc/87/92/27/1209879227.db2.gz MKDOGDDMYTXPSG-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000861760944 1209880591 /nfs/dbraw/zinc/88/05/91/1209880591.db2.gz RYYFPVKNKNHURY-FXAWDEMLSA-N 2 1 374.485 0.119 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)cc2)CC1 ZINC000794835445 1209976414 /nfs/dbraw/zinc/97/64/14/1209976414.db2.gz YOKPLBIKJLAUGM-BWTSREIZSA-N 2 1 358.486 0.937 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)cc2)CC1 ZINC000794835445 1209976419 /nfs/dbraw/zinc/97/64/19/1209976419.db2.gz YOKPLBIKJLAUGM-BWTSREIZSA-N 2 1 358.486 0.937 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221005100 1225182113 /nfs/dbraw/zinc/18/21/13/1225182113.db2.gz WQJUMBCSLAVIJY-BHIYHBOVSA-N 2 1 374.533 0.431 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375729 1210056451 /nfs/dbraw/zinc/05/64/51/1210056451.db2.gz VRPYBTMXWOBKQB-KZNAEPCWSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375729 1210056454 /nfs/dbraw/zinc/05/64/54/1210056454.db2.gz VRPYBTMXWOBKQB-KZNAEPCWSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375729 1210056457 /nfs/dbraw/zinc/05/64/57/1210056457.db2.gz VRPYBTMXWOBKQB-KZNAEPCWSA-N 2 1 365.522 0.129 20 0 FCADMP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1[nH+]cn2ccccc12 ZINC001221008503 1225184505 /nfs/dbraw/zinc/18/45/05/1225184505.db2.gz VGMABTDXZOZXBO-HNNXBMFYSA-N 2 1 351.410 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000871464491 1210157056 /nfs/dbraw/zinc/15/70/56/1210157056.db2.gz OBMYOLFLUPCEGE-WRQOLXDDSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CC[NH+]1C ZINC000871464491 1210157068 /nfs/dbraw/zinc/15/70/68/1210157068.db2.gz OBMYOLFLUPCEGE-WRQOLXDDSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)CC[NH+]1C ZINC000871464491 1210157075 /nfs/dbraw/zinc/15/70/75/1210157075.db2.gz OBMYOLFLUPCEGE-WRQOLXDDSA-N 2 1 366.506 0.010 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876755339 1210427864 /nfs/dbraw/zinc/42/78/64/1210427864.db2.gz XUHIRSSZGPVCGE-IKGGRYGDSA-N 2 1 361.490 0.787 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781666 1210429622 /nfs/dbraw/zinc/42/96/22/1210429622.db2.gz QFHQHEZFOXYSCS-QGZVFWFLSA-N 2 1 362.522 0.873 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000877228701 1210440154 /nfs/dbraw/zinc/44/01/54/1210440154.db2.gz CNWSYEUBGGYQFY-QGZVFWFLSA-N 2 1 357.458 0.818 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000877228701 1210440162 /nfs/dbraw/zinc/44/01/62/1210440162.db2.gz CNWSYEUBGGYQFY-QGZVFWFLSA-N 2 1 357.458 0.818 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001221081934 1225214944 /nfs/dbraw/zinc/21/49/44/1225214944.db2.gz ZBNLNDQBZAUMDP-MOPGFXCFSA-N 2 1 361.486 0.716 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000882379540 1210619985 /nfs/dbraw/zinc/61/99/85/1210619985.db2.gz AEENBLNEYFKJMX-SFHVURJKSA-N 2 1 361.486 0.850 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000882379540 1210620004 /nfs/dbraw/zinc/62/00/04/1210620004.db2.gz AEENBLNEYFKJMX-SFHVURJKSA-N 2 1 361.486 0.850 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)C1 ZINC001221115859 1225228487 /nfs/dbraw/zinc/22/84/87/1225228487.db2.gz ARCCQLCNDUANMF-INIZCTEOSA-N 2 1 359.518 0.891 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883359342 1210663407 /nfs/dbraw/zinc/66/34/07/1210663407.db2.gz DPGICXGQANPZBN-MRXNPFEDSA-N 2 1 365.522 0.844 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883606126 1210673492 /nfs/dbraw/zinc/67/34/92/1210673492.db2.gz JNHCXRVKRVICGK-PBHICJAKSA-N 2 1 359.474 0.715 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883604462 1210673648 /nfs/dbraw/zinc/67/36/48/1210673648.db2.gz XLWSANGVVABKQY-SFHVURJKSA-N 2 1 371.485 0.859 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883605319 1210673699 /nfs/dbraw/zinc/67/36/99/1210673699.db2.gz RYEHKWLTJRRGNZ-WMZOPIPTSA-N 2 1 371.485 0.778 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883605528 1210673864 /nfs/dbraw/zinc/67/38/64/1210673864.db2.gz WOHKAKHDUAHFAD-YJBOKZPZSA-N 2 1 371.485 0.717 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883604477 1210673868 /nfs/dbraw/zinc/67/38/68/1210673868.db2.gz XZRRXMWXYRNRDD-PBHICJAKSA-N 2 1 357.458 0.469 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611488 1210675153 /nfs/dbraw/zinc/67/51/53/1210675153.db2.gz ZNBPAELXTBBXBF-WMLDXEAASA-N 2 1 359.474 0.634 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1(C[NH3+])CCCCC1 ZINC000883654206 1210680200 /nfs/dbraw/zinc/68/02/00/1210680200.db2.gz VZACRCUASWEJEF-MRXNPFEDSA-N 2 1 366.506 0.287 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000884183232 1210720360 /nfs/dbraw/zinc/72/03/60/1210720360.db2.gz GQIIBHDLXPDTCB-IYBDPMFKSA-N 2 1 361.490 0.720 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000884218384 1210723990 /nfs/dbraw/zinc/72/39/90/1210723990.db2.gz NBNGOMBRBBBHEY-UHFFFAOYSA-N 2 1 362.474 0.567 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884236028 1210725921 /nfs/dbraw/zinc/72/59/21/1210725921.db2.gz KWSAOMPDRKOJQL-SFHVURJKSA-N 2 1 373.501 0.963 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000884496057 1210739122 /nfs/dbraw/zinc/73/91/22/1210739122.db2.gz LDSVTDWOMBSXIN-NXHRZFHOSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000884496055 1210739217 /nfs/dbraw/zinc/73/92/17/1210739217.db2.gz LDSVTDWOMBSXIN-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884503662 1210740394 /nfs/dbraw/zinc/74/03/94/1210740394.db2.gz PXYVNTMACFVMFI-RTBURBONSA-N 2 1 372.513 0.878 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000884510324 1210742069 /nfs/dbraw/zinc/74/20/69/1210742069.db2.gz DEUNWRQAWVOGOM-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532782 1210745442 /nfs/dbraw/zinc/74/54/42/1210745442.db2.gz QDTYEPGJFSPKOW-UBDQQSCGSA-N 2 1 356.470 0.586 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000884576570 1210754534 /nfs/dbraw/zinc/75/45/34/1210754534.db2.gz KQPHTCHHNBVJDZ-JCGIZDLHSA-N 2 1 358.486 0.888 20 0 FCADMP CCN(C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884578029 1210755585 /nfs/dbraw/zinc/75/55/85/1210755585.db2.gz RCDJEAWUXBQDAS-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576918 1210755840 /nfs/dbraw/zinc/75/58/40/1210755840.db2.gz TUFQNBHVIRSFCP-CRAIPNDOSA-N 2 1 358.486 0.665 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1)C1CC1 ZINC000884601207 1210759982 /nfs/dbraw/zinc/75/99/82/1210759982.db2.gz DTDJBVNGGMYLOX-SFHVURJKSA-N 2 1 374.485 0.769 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1)C1CC1 ZINC000884601207 1210759989 /nfs/dbraw/zinc/75/99/89/1210759989.db2.gz DTDJBVNGGMYLOX-SFHVURJKSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604990 1210761368 /nfs/dbraw/zinc/76/13/68/1210761368.db2.gz SRTBIZOBTLPTPT-BGTYHANMSA-N 2 1 356.470 0.586 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000884618220 1210763573 /nfs/dbraw/zinc/76/35/73/1210763573.db2.gz YWMIHXAMKMCIKY-RDTXWAMCSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000884618220 1210763579 /nfs/dbraw/zinc/76/35/79/1210763579.db2.gz YWMIHXAMKMCIKY-RDTXWAMCSA-N 2 1 374.485 0.767 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626707 1210765919 /nfs/dbraw/zinc/76/59/19/1210765919.db2.gz SBVMXLLGKGFPSR-JYJNAYRXSA-N 2 1 364.490 0.004 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000884629843 1210766849 /nfs/dbraw/zinc/76/68/49/1210766849.db2.gz FUPXKYFDCAGKAE-DKIMLUQUSA-N 2 1 356.470 0.728 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000884640664 1210770285 /nfs/dbraw/zinc/77/02/85/1210770285.db2.gz LUXYERIKSKJFJT-KRWDZBQOSA-N 2 1 358.486 0.808 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884646286 1210772118 /nfs/dbraw/zinc/77/21/18/1210772118.db2.gz NXNHRXUJJOFZNN-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)Cc1ccc(F)cc1 ZINC000884660825 1210774401 /nfs/dbraw/zinc/77/44/01/1210774401.db2.gz DWDCKXOMBWZNIT-HNAYVOBHSA-N 2 1 362.449 0.442 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884678698 1210778894 /nfs/dbraw/zinc/77/88/94/1210778894.db2.gz JRHZMJJEONBAEJ-IPMKNSEASA-N 2 1 370.497 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678811 1210779437 /nfs/dbraw/zinc/77/94/37/1210779437.db2.gz MWUXVEVUWMTVCA-FHLIZLRMSA-N 2 1 358.486 0.724 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000884697899 1210783864 /nfs/dbraw/zinc/78/38/64/1210783864.db2.gz GNHZWWXZPSYYAN-RDJZCZTQSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000884697899 1210783868 /nfs/dbraw/zinc/78/38/68/1210783868.db2.gz GNHZWWXZPSYYAN-RDJZCZTQSA-N 2 1 362.474 0.023 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715613 1210786100 /nfs/dbraw/zinc/78/61/00/1210786100.db2.gz YUBDAQVFMSEUCE-NVXWUHKLSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884719308 1210788012 /nfs/dbraw/zinc/78/80/12/1210788012.db2.gz HTVXZWJEOXCLET-ZAWLATJESA-N 2 1 372.513 0.985 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884796174 1210795899 /nfs/dbraw/zinc/79/58/99/1210795899.db2.gz CQHNXLWGNPURJC-OXFYSEKESA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884833079 1210800127 /nfs/dbraw/zinc/80/01/27/1210800127.db2.gz FVWRSDLQLPGGRB-KBAYOESNSA-N 2 1 374.485 0.057 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884833430 1210800542 /nfs/dbraw/zinc/80/05/42/1210800542.db2.gz KOHWHCPLQTUAQW-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000884837833 1210800687 /nfs/dbraw/zinc/80/06/87/1210800687.db2.gz LLMVHAOCVIIHHD-SJLPKXTDSA-N 2 1 356.470 0.501 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884924011 1210804256 /nfs/dbraw/zinc/80/42/56/1210804256.db2.gz XSBRZXLCJVLXOQ-BZUAXINKSA-N 2 1 366.506 0.332 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)C2)cc1 ZINC000884982846 1210806382 /nfs/dbraw/zinc/80/63/82/1210806382.db2.gz KQJWJNATYPGUEQ-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884982910 1210806415 /nfs/dbraw/zinc/80/64/15/1210806415.db2.gz LKLZHGLWZFMMFJ-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)C2)cc1 ZINC000884982842 1210806463 /nfs/dbraw/zinc/80/64/63/1210806463.db2.gz KQJWJNATYPGUEQ-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884983355 1210806830 /nfs/dbraw/zinc/80/68/30/1210806830.db2.gz JBAJPOFLGVQQMV-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884983355 1210806832 /nfs/dbraw/zinc/80/68/32/1210806832.db2.gz JBAJPOFLGVQQMV-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000885006807 1210807838 /nfs/dbraw/zinc/80/78/38/1210807838.db2.gz BPVWHRYWGBTUHN-KFESYUHLSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)c1 ZINC000885018657 1210809022 /nfs/dbraw/zinc/80/90/22/1210809022.db2.gz RVIKQSRZIUJFOP-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)c1 ZINC000885018657 1210809023 /nfs/dbraw/zinc/80/90/23/1210809023.db2.gz RVIKQSRZIUJFOP-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000885140938 1210812251 /nfs/dbraw/zinc/81/22/51/1210812251.db2.gz CSVXILUSHAJHMW-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149070 1210812468 /nfs/dbraw/zinc/81/24/68/1210812468.db2.gz WNTAHNSJWRZTID-HOTGVXAUSA-N 2 1 366.506 0.062 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885163036 1210814460 /nfs/dbraw/zinc/81/44/60/1210814460.db2.gz WWYUAVRLZGHWGZ-YJBOKZPZSA-N 2 1 358.486 0.617 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292137 1210817479 /nfs/dbraw/zinc/81/74/79/1210817479.db2.gz RLCQLWDOHOLBJU-CABCVRRESA-N 2 1 372.460 0.538 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000885869172 1210821335 /nfs/dbraw/zinc/82/13/35/1210821335.db2.gz PRDAWRYODXMRBG-PZJWPPBQSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869172 1210821338 /nfs/dbraw/zinc/82/13/38/1210821338.db2.gz PRDAWRYODXMRBG-PZJWPPBQSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869172 1210821339 /nfs/dbraw/zinc/82/13/39/1210821339.db2.gz PRDAWRYODXMRBG-PZJWPPBQSA-N 2 1 373.497 0.993 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887070910 1210846070 /nfs/dbraw/zinc/84/60/70/1210846070.db2.gz VYZDENCUPCMHKI-OALUTQOASA-N 2 1 372.513 0.972 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001691724047 1210847715 /nfs/dbraw/zinc/84/77/15/1210847715.db2.gz DZBDULCTEJGLLU-ILXRZTDVSA-N 2 1 362.540 0.187 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887448898 1210858395 /nfs/dbraw/zinc/85/83/95/1210858395.db2.gz JEBLXPLAZYVJLE-MJGOQNOKSA-N 2 1 358.490 0.694 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083951 1210876280 /nfs/dbraw/zinc/87/62/80/1210876280.db2.gz OBBAGPPGWKMDGF-RZQQEMMASA-N 2 1 362.518 0.776 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090876 1210878907 /nfs/dbraw/zinc/87/89/07/1210878907.db2.gz LPHBOVDBNQCMGW-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CCC1([NH+]2CCC2)CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000887699737 1210896573 /nfs/dbraw/zinc/89/65/73/1210896573.db2.gz LEDTVADORHLKSS-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180273 1210906371 /nfs/dbraw/zinc/90/63/71/1210906371.db2.gz VUNPVPXBTROLRO-RDJZCZTQSA-N 2 1 362.518 0.777 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000174720962 1210985176 /nfs/dbraw/zinc/98/51/76/1210985176.db2.gz XLBHUQXFPBLWGT-UHFFFAOYSA-N 2 1 359.474 0.541 20 0 FCADMP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830507 1210986791 /nfs/dbraw/zinc/98/67/91/1210986791.db2.gz FQWFPFKVQAYHIQ-WEXBMKDWSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110830507 1210986794 /nfs/dbraw/zinc/98/67/94/1210986794.db2.gz FQWFPFKVQAYHIQ-WEXBMKDWSA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110830507 1210986799 /nfs/dbraw/zinc/98/67/99/1210986799.db2.gz FQWFPFKVQAYHIQ-WEXBMKDWSA-N 2 1 363.502 0.996 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)CC1 ZINC001274371411 1211039633 /nfs/dbraw/zinc/03/96/33/1211039633.db2.gz YFMOZVPLXWECHB-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001275152685 1211181954 /nfs/dbraw/zinc/18/19/54/1211181954.db2.gz NVCIYVWFAXPRRU-HNAYVOBHSA-N 2 1 359.474 0.903 20 0 FCADMP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176157 1211189752 /nfs/dbraw/zinc/18/97/52/1211189752.db2.gz HGRQGDHCRJPPHL-QUCCMNQESA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275176157 1211189755 /nfs/dbraw/zinc/18/97/55/1211189755.db2.gz HGRQGDHCRJPPHL-QUCCMNQESA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275176157 1211189761 /nfs/dbraw/zinc/18/97/61/1211189761.db2.gz HGRQGDHCRJPPHL-QUCCMNQESA-N 2 1 365.566 0.498 20 0 FCADMP Cn1ccc(CN2CCC[C@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)n1 ZINC001275362919 1211222872 /nfs/dbraw/zinc/22/28/72/1211222872.db2.gz OEAQTZHVCBTTRF-SFHVURJKSA-N 2 1 356.430 0.658 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@]3(CCN(CCn4ccnc4)C3=O)C2)cn1 ZINC001275365889 1211223713 /nfs/dbraw/zinc/22/37/13/1211223713.db2.gz QUQHOAAAALAJNM-SFHVURJKSA-N 2 1 356.430 0.806 20 0 FCADMP COc1cccnc1C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275380236 1211226292 /nfs/dbraw/zinc/22/62/92/1211226292.db2.gz PELCFUPEDYIOPV-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP COc1cccnc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380625 1211226600 /nfs/dbraw/zinc/22/66/00/1211226600.db2.gz SOUHYYQOCQQQOH-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1cccnc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380625 1211226601 /nfs/dbraw/zinc/22/66/01/1211226601.db2.gz SOUHYYQOCQQQOH-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP Cc1nccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)n1 ZINC001275481058 1211248821 /nfs/dbraw/zinc/24/88/21/1211248821.db2.gz VWVXSZFPXVZFAX-GOSISDBHSA-N 2 1 356.430 0.485 20 0 FCADMP COc1ncc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1C ZINC001275494748 1211251178 /nfs/dbraw/zinc/25/11/78/1211251178.db2.gz BARCLZAXGXZZDX-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1C ZINC001275494748 1211251181 /nfs/dbraw/zinc/25/11/81/1211251181.db2.gz BARCLZAXGXZZDX-IBGZPJMESA-N 2 1 362.474 0.764 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510890 1211253134 /nfs/dbraw/zinc/25/31/34/1211253134.db2.gz AYAYOHFKQRZYSY-HNAYVOBHSA-N 2 1 369.506 0.687 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C3)CC1 ZINC001275576963 1211259163 /nfs/dbraw/zinc/25/91/63/1211259163.db2.gz PTROSLBDAANSFD-HOTGVXAUSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4nonc4c3)C2)OCC1=O ZINC001275719684 1211274964 /nfs/dbraw/zinc/27/49/64/1211274964.db2.gz MCZGMVXRIWYBSH-SFHVURJKSA-N 2 1 359.430 0.588 20 0 FCADMP CCN(CC)C(=O)CN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737471 1211278812 /nfs/dbraw/zinc/27/88/12/1211278812.db2.gz KVVUJFKHOBLTQI-ZWKOTPCHSA-N 2 1 372.460 0.429 20 0 FCADMP CCN(CC)C(=O)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737471 1211278816 /nfs/dbraw/zinc/27/88/16/1211278816.db2.gz KVVUJFKHOBLTQI-ZWKOTPCHSA-N 2 1 372.460 0.429 20 0 FCADMP O=C1C[C@]2(CN1CC1CCOCC1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275737599 1211278921 /nfs/dbraw/zinc/27/89/21/1211278921.db2.gz LWWVPGSGNYAQOP-FQEVSTJZSA-N 2 1 365.518 0.964 20 0 FCADMP O=C1CC[C@@H](CN2C(=O)C[C@]3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736147 1211278963 /nfs/dbraw/zinc/27/89/63/1211278963.db2.gz CDXWWHFJQIKOKZ-KXBFYZLASA-N 2 1 362.474 0.106 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736542 1211278977 /nfs/dbraw/zinc/27/89/77/1211278977.db2.gz FSOUFTPPQDTHRL-IBGZPJMESA-N 2 1 364.490 0.352 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC2(CCC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275800620 1211286350 /nfs/dbraw/zinc/28/63/50/1211286350.db2.gz UOVAKABMLUVAQU-KRWDZBQOSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275800620 1211286352 /nfs/dbraw/zinc/28/63/52/1211286352.db2.gz UOVAKABMLUVAQU-KRWDZBQOSA-N 2 1 361.490 0.681 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]32)C1 ZINC001275817530 1211290563 /nfs/dbraw/zinc/29/05/63/1211290563.db2.gz OLAWTKQCAPBFQR-YQQAZPJKSA-N 2 1 360.458 0.542 20 0 FCADMP C[NH+]1CCC(C)(C[NH+]2CC3(C2)COCC(=O)N3Cc2ncccn2)CC1 ZINC001275833801 1211293951 /nfs/dbraw/zinc/29/39/51/1211293951.db2.gz QCEZSXLJFQJYBM-UHFFFAOYSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC(C)(C[NH+]2CC3(C2)COCC(=O)N3CCn2ccnc2)CC1 ZINC001275834187 1211294046 /nfs/dbraw/zinc/29/40/46/1211294046.db2.gz ZKGFTKDTKMEFAB-UHFFFAOYSA-N 2 1 361.490 0.528 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877554 1211302819 /nfs/dbraw/zinc/30/28/19/1211302819.db2.gz DAJKVWFRDKKVFA-QFBILLFUSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877554 1211302821 /nfs/dbraw/zinc/30/28/21/1211302821.db2.gz DAJKVWFRDKKVFA-QFBILLFUSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877554 1211302825 /nfs/dbraw/zinc/30/28/25/1211302825.db2.gz DAJKVWFRDKKVFA-QFBILLFUSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877554 1211302827 /nfs/dbraw/zinc/30/28/27/1211302827.db2.gz DAJKVWFRDKKVFA-QFBILLFUSA-N 2 1 367.490 0.790 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3Cc2cncn2C)CC1 ZINC001275877532 1211303192 /nfs/dbraw/zinc/30/31/92/1211303192.db2.gz CPMKAXCAPCKIPW-UHFFFAOYSA-N 2 1 361.490 0.565 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CCN(Cc4nncn4C)C3=O)C2)CC1 ZINC001275880613 1211304221 /nfs/dbraw/zinc/30/42/21/1211304221.db2.gz VAALXITWAAOPMU-LJQANCHMSA-N 2 1 360.506 0.971 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881253 1211304975 /nfs/dbraw/zinc/30/49/75/1211304975.db2.gz XUAHMCUVLMXDLE-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275881253 1211304977 /nfs/dbraw/zinc/30/49/77/1211304977.db2.gz XUAHMCUVLMXDLE-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275881253 1211304980 /nfs/dbraw/zinc/30/49/80/1211304980.db2.gz XUAHMCUVLMXDLE-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881262 1211305153 /nfs/dbraw/zinc/30/51/53/1211305153.db2.gz YLNPIUJRRDDEFS-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881262 1211305155 /nfs/dbraw/zinc/30/51/55/1211305155.db2.gz YLNPIUJRRDDEFS-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275881262 1211305158 /nfs/dbraw/zinc/30/51/58/1211305158.db2.gz YLNPIUJRRDDEFS-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275881262 1211305161 /nfs/dbraw/zinc/30/51/61/1211305161.db2.gz YLNPIUJRRDDEFS-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881222 1211305264 /nfs/dbraw/zinc/30/52/64/1211305264.db2.gz XZUDRQXUFSCSLZ-DNVCBOLYSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O)OC ZINC001275881222 1211305266 /nfs/dbraw/zinc/30/52/66/1211305266.db2.gz XZUDRQXUFSCSLZ-DNVCBOLYSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O)OC ZINC001275881222 1211305269 /nfs/dbraw/zinc/30/52/69/1211305269.db2.gz XZUDRQXUFSCSLZ-DNVCBOLYSA-N 2 1 367.490 0.788 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O)OC ZINC001275881222 1211305271 /nfs/dbraw/zinc/30/52/71/1211305271.db2.gz XZUDRQXUFSCSLZ-DNVCBOLYSA-N 2 1 367.490 0.788 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879220 1211306355 /nfs/dbraw/zinc/30/63/55/1211306355.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879220 1211306358 /nfs/dbraw/zinc/30/63/58/1211306358.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879220 1211306362 /nfs/dbraw/zinc/30/63/62/1211306362.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 2 1 361.490 0.565 20 0 FCADMP COc1ccncc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275930388 1211311825 /nfs/dbraw/zinc/31/18/25/1211311825.db2.gz MNXYRYPNDAZYQH-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccncc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275930388 1211311828 /nfs/dbraw/zinc/31/18/28/1211311828.db2.gz MNXYRYPNDAZYQH-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1cccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275958956 1211317696 /nfs/dbraw/zinc/31/76/96/1211317696.db2.gz NEEYSAAJHDESRA-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275958956 1211317700 /nfs/dbraw/zinc/31/77/00/1211317700.db2.gz NEEYSAAJHDESRA-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001095419281 1211331883 /nfs/dbraw/zinc/33/18/83/1211331883.db2.gz XVPLABPOJSVOMU-OWSLCNJRSA-N 2 1 360.502 0.671 20 0 FCADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001095419281 1211331886 /nfs/dbraw/zinc/33/18/86/1211331886.db2.gz XVPLABPOJSVOMU-OWSLCNJRSA-N 2 1 360.502 0.671 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001095424166 1211333861 /nfs/dbraw/zinc/33/38/61/1211333861.db2.gz HHVHOTHZSQIHBZ-QZWWFDLISA-N 2 1 361.490 0.075 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001095424206 1211333952 /nfs/dbraw/zinc/33/39/52/1211333952.db2.gz IKRPOODXWDDCRJ-XWSJACJDSA-N 2 1 372.517 0.958 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)OCC1=O ZINC001276247633 1211391982 /nfs/dbraw/zinc/39/19/82/1211391982.db2.gz GHMJGEKANFVLNW-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247534 1211392226 /nfs/dbraw/zinc/39/22/26/1211392226.db2.gz PQTSMAPXHBBIGI-FZKQIMNGSA-N 2 1 362.430 0.570 20 0 FCADMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c(N)n1 ZINC001276260275 1211396479 /nfs/dbraw/zinc/39/64/79/1211396479.db2.gz SVNOLDOIRGMCOR-LJQANCHMSA-N 2 1 361.490 0.585 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1cc2c[nH]ccc-2n1 ZINC001095619764 1211428425 /nfs/dbraw/zinc/42/84/25/1211428425.db2.gz UHOOGYMIGFZLTJ-XTBFLFJDSA-N 2 1 367.409 0.703 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926347975 1211536600 /nfs/dbraw/zinc/53/66/00/1211536600.db2.gz QFWZPQJKFVYXDX-OAHLLOKOSA-N 2 1 360.458 0.957 20 0 FCADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926357171 1211538687 /nfs/dbraw/zinc/53/86/87/1211538687.db2.gz NPPKUCMVFKSDQN-CYBMUJFWSA-N 2 1 359.474 0.893 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000929498639 1211641911 /nfs/dbraw/zinc/64/19/11/1211641911.db2.gz VUUYUBVURURFJE-UHFFFAOYSA-N 2 1 359.474 0.909 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000929732739 1211657767 /nfs/dbraw/zinc/65/77/67/1211657767.db2.gz NFZVPCSPYJEJBA-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000929732739 1211657769 /nfs/dbraw/zinc/65/77/69/1211657769.db2.gz NFZVPCSPYJEJBA-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929804759 1211662438 /nfs/dbraw/zinc/66/24/38/1211662438.db2.gz OXYNTBYPKUSHEV-KRWDZBQOSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929804759 1211662440 /nfs/dbraw/zinc/66/24/40/1211662440.db2.gz OXYNTBYPKUSHEV-KRWDZBQOSA-N 2 1 360.506 0.978 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)CCCC2)CC1 ZINC000930049847 1211684004 /nfs/dbraw/zinc/68/40/04/1211684004.db2.gz ODBODQSVCSSEIE-OAHLLOKOSA-N 2 1 366.506 0.347 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3CC[N@H+]3C)CCCC2)CC1 ZINC000930049847 1211684010 /nfs/dbraw/zinc/68/40/10/1211684010.db2.gz ODBODQSVCSSEIE-OAHLLOKOSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585964 1211714875 /nfs/dbraw/zinc/71/48/75/1211714875.db2.gz VSCJSESNTNAJTF-XLIONFOSSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585964 1211714880 /nfs/dbraw/zinc/71/48/80/1211714880.db2.gz VSCJSESNTNAJTF-XLIONFOSSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000930585964 1211714881 /nfs/dbraw/zinc/71/48/81/1211714881.db2.gz VSCJSESNTNAJTF-XLIONFOSSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000930585964 1211714884 /nfs/dbraw/zinc/71/48/84/1211714884.db2.gz VSCJSESNTNAJTF-XLIONFOSSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440785 1211756109 /nfs/dbraw/zinc/75/61/09/1211756109.db2.gz LHQOSZLEYZJSGF-YESZJQIVSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440785 1211756112 /nfs/dbraw/zinc/75/61/12/1211756112.db2.gz LHQOSZLEYZJSGF-YESZJQIVSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440785 1211756113 /nfs/dbraw/zinc/75/61/13/1211756113.db2.gz LHQOSZLEYZJSGF-YESZJQIVSA-N 2 1 358.490 0.397 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000931611491 1211763600 /nfs/dbraw/zinc/76/36/00/1211763600.db2.gz VEIHCNONBMUEFY-YOEHRIQHSA-N 2 1 359.474 0.707 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000931610839 1211763818 /nfs/dbraw/zinc/76/38/18/1211763818.db2.gz HYXPJOOASCRFOJ-PBHICJAKSA-N 2 1 359.474 0.707 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931611560 1211763883 /nfs/dbraw/zinc/76/38/83/1211763883.db2.gz BNRSHXRNUTXITI-KRWDZBQOSA-N 2 1 361.490 0.953 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931611560 1211763884 /nfs/dbraw/zinc/76/38/84/1211763884.db2.gz BNRSHXRNUTXITI-KRWDZBQOSA-N 2 1 361.490 0.953 20 0 FCADMP COC1(OC)CCOC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000931674144 1211770905 /nfs/dbraw/zinc/77/09/05/1211770905.db2.gz ZFIFTLNAADBBAZ-IAGOWNOFSA-N 2 1 365.474 0.773 20 0 FCADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931877657 1211777504 /nfs/dbraw/zinc/77/75/04/1211777504.db2.gz IQWYYLDGLJKMJA-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931877657 1211777506 /nfs/dbraw/zinc/77/75/06/1211777506.db2.gz IQWYYLDGLJKMJA-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931877657 1211777509 /nfs/dbraw/zinc/77/75/09/1211777509.db2.gz IQWYYLDGLJKMJA-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931877657 1211777512 /nfs/dbraw/zinc/77/75/12/1211777512.db2.gz IQWYYLDGLJKMJA-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111020435 1211785091 /nfs/dbraw/zinc/78/50/91/1211785091.db2.gz BFUFMCZAZAJMKE-HPBDAGMYSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020435 1211785103 /nfs/dbraw/zinc/78/51/03/1211785103.db2.gz BFUFMCZAZAJMKE-HPBDAGMYSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020435 1211785108 /nfs/dbraw/zinc/78/51/08/1211785108.db2.gz BFUFMCZAZAJMKE-HPBDAGMYSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111039029 1211818549 /nfs/dbraw/zinc/81/85/49/1211818549.db2.gz VLHBQZMUCRAEJC-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111039029 1211818551 /nfs/dbraw/zinc/81/85/51/1211818551.db2.gz VLHBQZMUCRAEJC-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000932814819 1211823679 /nfs/dbraw/zinc/82/36/79/1211823679.db2.gz COZDKTRVDMVTHZ-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000932814819 1211823680 /nfs/dbraw/zinc/82/36/80/1211823680.db2.gz COZDKTRVDMVTHZ-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP O=C1NC[C@H](O)CC12CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831163 1211824163 /nfs/dbraw/zinc/82/41/63/1211824163.db2.gz HSPVHMPKFJTKIF-NQIIRXRSSA-N 2 1 373.497 0.586 20 0 FCADMP O=C1NC[C@H](O)CC12CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831163 1211824164 /nfs/dbraw/zinc/82/41/64/1211824164.db2.gz HSPVHMPKFJTKIF-NQIIRXRSSA-N 2 1 373.497 0.586 20 0 FCADMP CC1=C(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C(C)C ZINC000933476450 1211842458 /nfs/dbraw/zinc/84/24/58/1211842458.db2.gz XATMFEMOJKCDNY-UHFFFAOYSA-N 2 1 362.478 0.888 20 0 FCADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123804 1211892166 /nfs/dbraw/zinc/89/21/66/1211892166.db2.gz KFIMEINOTUQRHP-DDBAPUKQSA-N 2 1 363.506 0.941 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC000968867892 1212160065 /nfs/dbraw/zinc/16/00/65/1212160065.db2.gz JJFDYIWHCYDJDO-IKGGRYGDSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC000968872602 1212163309 /nfs/dbraw/zinc/16/33/09/1212163309.db2.gz PKPPMIQVSOVJKB-XKQJLSEDSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cncn3C)CC2)O1 ZINC000948541190 1212196928 /nfs/dbraw/zinc/19/69/28/1212196928.db2.gz DMKJQQVEEQJVPL-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cncn3C)CC2)O1 ZINC000948541190 1212196933 /nfs/dbraw/zinc/19/69/33/1212196933.db2.gz DMKJQQVEEQJVPL-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cncn3C)CC2)O1 ZINC000948541190 1212196936 /nfs/dbraw/zinc/19/69/36/1212196936.db2.gz DMKJQQVEEQJVPL-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cncn3C)CC2)O1 ZINC000948541190 1212196939 /nfs/dbraw/zinc/19/69/39/1212196939.db2.gz DMKJQQVEEQJVPL-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)ccn1 ZINC001111277379 1212204064 /nfs/dbraw/zinc/20/40/64/1212204064.db2.gz ORDSFFCYWPJSJL-ZACQAIPSSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)ccn1 ZINC001111277379 1212204067 /nfs/dbraw/zinc/20/40/67/1212204067.db2.gz ORDSFFCYWPJSJL-ZACQAIPSSA-N 2 1 362.474 0.890 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001111280971 1212232350 /nfs/dbraw/zinc/23/23/50/1212232350.db2.gz FQIMJRVVTDZMRM-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000949113629 1212297325 /nfs/dbraw/zinc/29/73/25/1212297325.db2.gz SKUXTVQBOVDNSJ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000949113629 1212297328 /nfs/dbraw/zinc/29/73/28/1212297328.db2.gz SKUXTVQBOVDNSJ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000949113629 1212297329 /nfs/dbraw/zinc/29/73/29/1212297329.db2.gz SKUXTVQBOVDNSJ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000949113629 1212297334 /nfs/dbraw/zinc/29/73/34/1212297334.db2.gz SKUXTVQBOVDNSJ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949319700 1212354974 /nfs/dbraw/zinc/35/49/74/1212354974.db2.gz SYQCYIFQBOJXCG-XOKHGSTOSA-N 2 1 359.474 0.496 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555321 1225365976 /nfs/dbraw/zinc/36/59/76/1225365976.db2.gz CNMRDLKHKFUWQJ-KZNAEPCWSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555321 1225365981 /nfs/dbraw/zinc/36/59/81/1225365981.db2.gz CNMRDLKHKFUWQJ-KZNAEPCWSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cnc3C)C2)CC[N@H+]1C ZINC000949532744 1212402402 /nfs/dbraw/zinc/40/24/02/1212402402.db2.gz CLFSWSIYYSBOIZ-JWZBEHFJSA-N 2 1 361.490 0.954 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007186130 1212419186 /nfs/dbraw/zinc/41/91/86/1212419186.db2.gz OBQSVBLOLBFAMZ-FTRWYGJKSA-N 2 1 360.502 0.674 20 0 FCADMP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001006448996 1212479390 /nfs/dbraw/zinc/47/93/90/1212479390.db2.gz NJEYQCQMFWFUEJ-ZMSDIMECSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001007484201 1212504728 /nfs/dbraw/zinc/50/47/28/1212504728.db2.gz NPGJEWPPQILNSX-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001007484201 1212504732 /nfs/dbraw/zinc/50/47/32/1212504732.db2.gz NPGJEWPPQILNSX-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C)C2 ZINC001007946835 1212605278 /nfs/dbraw/zinc/60/52/78/1212605278.db2.gz QWQZRMVHTHKJLC-QOKNQOGYSA-N 2 1 359.474 0.852 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221587998 1225383379 /nfs/dbraw/zinc/38/33/79/1225383379.db2.gz POFLGZTUUFAATA-BZUAXINKSA-N 2 1 369.485 0.224 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221587998 1225383384 /nfs/dbraw/zinc/38/33/84/1225383384.db2.gz POFLGZTUUFAATA-BZUAXINKSA-N 2 1 369.485 0.224 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000950791702 1212674644 /nfs/dbraw/zinc/67/46/44/1212674644.db2.gz AWZCITNUTGAWMR-KBRIMQKVSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC000950874431 1212700217 /nfs/dbraw/zinc/70/02/17/1212700217.db2.gz MBBVLONDEOHZMI-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC000950874431 1212700219 /nfs/dbraw/zinc/70/02/19/1212700219.db2.gz MBBVLONDEOHZMI-UMVBOHGHSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC[N@H+]1C ZINC000951357178 1212817344 /nfs/dbraw/zinc/81/73/44/1212817344.db2.gz GWFLYUQROHAUSJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000951357178 1212817345 /nfs/dbraw/zinc/81/73/45/1212817345.db2.gz GWFLYUQROHAUSJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000951357178 1212817346 /nfs/dbraw/zinc/81/73/46/1212817346.db2.gz GWFLYUQROHAUSJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001009278506 1212830727 /nfs/dbraw/zinc/83/07/27/1212830727.db2.gz ARFLDDFEXACQCX-QKLQHJQFSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954502785 1213079985 /nfs/dbraw/zinc/07/99/85/1213079985.db2.gz LPNYEXDAVFHHNK-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954502785 1213079991 /nfs/dbraw/zinc/07/99/91/1213079991.db2.gz LPNYEXDAVFHHNK-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954502785 1213079996 /nfs/dbraw/zinc/07/99/96/1213079996.db2.gz LPNYEXDAVFHHNK-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954502785 1213080003 /nfs/dbraw/zinc/08/00/03/1213080003.db2.gz LPNYEXDAVFHHNK-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221659440 1225422728 /nfs/dbraw/zinc/42/27/28/1225422728.db2.gz OVJCHDWXTWTJMY-HYVNUMGLSA-N 2 1 357.458 0.329 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221659440 1225422737 /nfs/dbraw/zinc/42/27/37/1225422737.db2.gz OVJCHDWXTWTJMY-HYVNUMGLSA-N 2 1 357.458 0.329 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000954647509 1213096794 /nfs/dbraw/zinc/09/67/94/1213096794.db2.gz ZFEUHWIEMXVZGU-GDBMZVCRSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000954647509 1213096796 /nfs/dbraw/zinc/09/67/96/1213096796.db2.gz ZFEUHWIEMXVZGU-GDBMZVCRSA-N 2 1 364.490 0.003 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662642 1225423847 /nfs/dbraw/zinc/42/38/47/1225423847.db2.gz XDSMCPPITSPMQA-HYVNUMGLSA-N 2 1 359.474 0.705 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662642 1225423850 /nfs/dbraw/zinc/42/38/50/1225423850.db2.gz XDSMCPPITSPMQA-HYVNUMGLSA-N 2 1 359.474 0.705 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc(CC[NH3+])nn3)CC2)cc1 ZINC000641118940 1213213465 /nfs/dbraw/zinc/21/34/65/1213213465.db2.gz AZMHDMWUZSACMK-UHFFFAOYSA-N 2 1 372.473 0.522 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000957064696 1213242394 /nfs/dbraw/zinc/24/23/94/1213242394.db2.gz HEWNAHJREASLDK-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1NC(=O)Cn1ccnc1 ZINC000957094146 1213251086 /nfs/dbraw/zinc/25/10/86/1213251086.db2.gz XMNJOSQCAZVCDW-UKRRQHHQSA-N 2 1 356.430 0.621 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000957746190 1213354767 /nfs/dbraw/zinc/35/47/67/1213354767.db2.gz GPKVVNVPMDGHBB-HLLBOEOZSA-N 2 1 361.490 0.658 20 0 FCADMP COCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276315697 1213403143 /nfs/dbraw/zinc/40/31/43/1213403143.db2.gz MOBZFWNRLSSEQR-GOSISDBHSA-N 2 1 366.550 0.879 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001221730612 1225464416 /nfs/dbraw/zinc/46/44/16/1225464416.db2.gz MRTIPZMGFJVXPT-IAGOWNOFSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001221730612 1225464418 /nfs/dbraw/zinc/46/44/18/1225464418.db2.gz MRTIPZMGFJVXPT-IAGOWNOFSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001221773040 1225477029 /nfs/dbraw/zinc/47/70/29/1225477029.db2.gz WBKNLQGGBMNYDA-GVDBMIGSSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC000960525733 1213803269 /nfs/dbraw/zinc/80/32/69/1213803269.db2.gz KWAPQNNKIGVTJP-SFKBXODTSA-N 2 1 359.470 0.444 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC000960525733 1213803270 /nfs/dbraw/zinc/80/32/70/1213803270.db2.gz KWAPQNNKIGVTJP-SFKBXODTSA-N 2 1 359.470 0.444 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC000960525733 1213803271 /nfs/dbraw/zinc/80/32/71/1213803271.db2.gz KWAPQNNKIGVTJP-SFKBXODTSA-N 2 1 359.470 0.444 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC000960525733 1213803272 /nfs/dbraw/zinc/80/32/72/1213803272.db2.gz KWAPQNNKIGVTJP-SFKBXODTSA-N 2 1 359.470 0.444 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1)[NH+](C)C ZINC000960534934 1213809238 /nfs/dbraw/zinc/80/92/38/1213809238.db2.gz PKLNISXEFVRUGO-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418864455 1213867272 /nfs/dbraw/zinc/86/72/72/1213867272.db2.gz QTQXYBVHPXJLKJ-FXAWDEMLSA-N 2 1 356.470 0.732 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418995388 1213953081 /nfs/dbraw/zinc/95/30/81/1213953081.db2.gz IUTOQIYXHUAFAF-HXUWFJFHSA-N 2 1 358.486 0.979 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418995387 1213953163 /nfs/dbraw/zinc/95/31/63/1213953163.db2.gz IUTOQIYXHUAFAF-FQEVSTJZSA-N 2 1 358.486 0.979 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419241043 1214087473 /nfs/dbraw/zinc/08/74/73/1214087473.db2.gz RRMJDHCECGJPOC-IERDGZPVSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419241043 1214087476 /nfs/dbraw/zinc/08/74/76/1214087476.db2.gz RRMJDHCECGJPOC-IERDGZPVSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC[N@H+]1C ZINC001017488127 1214102555 /nfs/dbraw/zinc/10/25/55/1214102555.db2.gz BXLAHBURGCKDEY-OLMNPRSZSA-N 2 1 362.518 0.942 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC001019032021 1214182092 /nfs/dbraw/zinc/18/20/92/1214182092.db2.gz AJDUKLBOKKHDHL-RPVQJOFSSA-N 2 1 365.449 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC001019032021 1214182101 /nfs/dbraw/zinc/18/21/01/1214182101.db2.gz AJDUKLBOKKHDHL-RPVQJOFSSA-N 2 1 365.449 0.728 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419505990 1214204312 /nfs/dbraw/zinc/20/43/12/1214204312.db2.gz LEPFSVYIGNSNGG-NQIIRXRSSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419537667 1214215982 /nfs/dbraw/zinc/21/59/82/1214215982.db2.gz VYODGMHGCSUNIC-BLIXFSHQSA-N 2 1 370.497 0.978 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001019196156 1214216519 /nfs/dbraw/zinc/21/65/19/1214216519.db2.gz GLGKBNWOHPEDEK-HZPDHXFCSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001019196156 1214216523 /nfs/dbraw/zinc/21/65/23/1214216523.db2.gz GLGKBNWOHPEDEK-HZPDHXFCSA-N 2 1 359.474 0.593 20 0 FCADMP CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2)[NH+](C)C ZINC001019212425 1214218516 /nfs/dbraw/zinc/21/85/16/1214218516.db2.gz VIUUOZHYOFABQZ-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2)[NH+](C)C ZINC001019212425 1214218523 /nfs/dbraw/zinc/21/85/23/1214218523.db2.gz VIUUOZHYOFABQZ-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)[NH+](C)C ZINC001019240045 1214223599 /nfs/dbraw/zinc/22/35/99/1214223599.db2.gz UCEMTKCXLIJKNK-BRWVUGGUSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)C1 ZINC001019443322 1214243222 /nfs/dbraw/zinc/24/32/22/1214243222.db2.gz MKGVCCCZCFXNFZ-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)C1 ZINC001019443322 1214243231 /nfs/dbraw/zinc/24/32/31/1214243231.db2.gz MKGVCCCZCFXNFZ-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)C1 ZINC001019443322 1214243240 /nfs/dbraw/zinc/24/32/40/1214243240.db2.gz MKGVCCCZCFXNFZ-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)CC[N@H+]1C ZINC001020302263 1214333818 /nfs/dbraw/zinc/33/38/18/1214333818.db2.gz NHNACGIIOCFDPO-LUKYLMHMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CC[NH+](CC(=O)N(C)C)C3)CC2)CC[N@H+]1C ZINC001039134200 1214372329 /nfs/dbraw/zinc/37/23/29/1214372329.db2.gz XZBOCIIOMRRQKL-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CC[N@H+](CC(=O)N(C)C)C3)CC2)CC[NH+]1C ZINC001039134200 1214372339 /nfs/dbraw/zinc/37/23/39/1214372339.db2.gz XZBOCIIOMRRQKL-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CC[N@@H+](CC(=O)N(C)C)C3)CC2)CC[NH+]1C ZINC001039134200 1214372348 /nfs/dbraw/zinc/37/23/48/1214372348.db2.gz XZBOCIIOMRRQKL-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001221889991 1225523352 /nfs/dbraw/zinc/52/33/52/1225523352.db2.gz XYPWDHBYTMGCDP-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001221889991 1225523356 /nfs/dbraw/zinc/52/33/56/1225523356.db2.gz XYPWDHBYTMGCDP-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001040707935 1214570295 /nfs/dbraw/zinc/57/02/95/1214570295.db2.gz LQXPCNRHIPSYKM-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001040707932 1214570411 /nfs/dbraw/zinc/57/04/11/1214570411.db2.gz LQXPCNRHIPSYKM-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950636 1225548659 /nfs/dbraw/zinc/54/86/59/1225548659.db2.gz QOOYNRQDCCVNJI-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950636 1225548665 /nfs/dbraw/zinc/54/86/65/1225548665.db2.gz QOOYNRQDCCVNJI-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950452 1225548870 /nfs/dbraw/zinc/54/88/70/1225548870.db2.gz IQSSMBIITSPPKS-KZNAEPCWSA-N 2 1 371.522 0.131 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950142 1225549129 /nfs/dbraw/zinc/54/91/29/1225549129.db2.gz VNHGSKIOBWGJAW-FGTMMUONSA-N 2 1 365.518 0.648 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950554 1225549286 /nfs/dbraw/zinc/54/92/86/1225549286.db2.gz NDYWDYFLJIKIMR-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950554 1225549290 /nfs/dbraw/zinc/54/92/90/1225549290.db2.gz NDYWDYFLJIKIMR-GVDBMIGSSA-N 2 1 368.522 0.354 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950801 1225549835 /nfs/dbraw/zinc/54/98/35/1225549835.db2.gz ZDMKYGMURFKWQX-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950801 1225549838 /nfs/dbraw/zinc/54/98/38/1225549838.db2.gz ZDMKYGMURFKWQX-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221950764 1225550157 /nfs/dbraw/zinc/55/01/57/1225550157.db2.gz WZMYJLZOXKQKJZ-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221969101 1225556693 /nfs/dbraw/zinc/55/66/93/1225556693.db2.gz QGNMFDYXGURSSO-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221969101 1225556700 /nfs/dbraw/zinc/55/67/00/1225556700.db2.gz QGNMFDYXGURSSO-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221969101 1225556704 /nfs/dbraw/zinc/55/67/04/1225556704.db2.gz QGNMFDYXGURSSO-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001221969101 1225556711 /nfs/dbraw/zinc/55/67/11/1225556711.db2.gz QGNMFDYXGURSSO-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)[NH+](C)C ZINC000963210233 1214769076 /nfs/dbraw/zinc/76/90/76/1214769076.db2.gz BEWVPMWFHTXKOR-ILXRZTDVSA-N 2 1 365.478 0.035 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000963344220 1214798513 /nfs/dbraw/zinc/79/85/13/1214798513.db2.gz JQMLRTAEXKCADF-RDHHWEPZSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3nccn3C)CC2)O1 ZINC000963551523 1214820553 /nfs/dbraw/zinc/82/05/53/1214820553.db2.gz PDSSAIKTGHISSH-RDHHWEPZSA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3nccn3C)CC2)O1 ZINC000963551523 1214820555 /nfs/dbraw/zinc/82/05/55/1214820555.db2.gz PDSSAIKTGHISSH-RDHHWEPZSA-N 2 1 363.506 0.998 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC000963811723 1214855610 /nfs/dbraw/zinc/85/56/10/1214855610.db2.gz OSDGNXXAWYNXKH-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCn2cccn2)C3)O1 ZINC000964029872 1214890286 /nfs/dbraw/zinc/89/02/86/1214890286.db2.gz AROOQHOESDMPJT-NYXDSXFPSA-N 2 1 361.490 0.619 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCn2cccn2)C3)O1 ZINC000964029872 1214890288 /nfs/dbraw/zinc/89/02/88/1214890288.db2.gz AROOQHOESDMPJT-NYXDSXFPSA-N 2 1 361.490 0.619 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnn(C)n2)C3)O1 ZINC000964030185 1214890981 /nfs/dbraw/zinc/89/09/81/1214890981.db2.gz GRFSWVZXOQMPQV-APDVAWRBSA-N 2 1 362.478 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnn(C)n2)C3)O1 ZINC000964030185 1214890983 /nfs/dbraw/zinc/89/09/83/1214890983.db2.gz GRFSWVZXOQMPQV-APDVAWRBSA-N 2 1 362.478 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000964237829 1214925045 /nfs/dbraw/zinc/92/50/45/1214925045.db2.gz PSOQUPRCZVAYFZ-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000964934461 1215007174 /nfs/dbraw/zinc/00/71/74/1215007174.db2.gz NBYLXIOCODQWDA-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968095481 1215285313 /nfs/dbraw/zinc/28/53/13/1215285313.db2.gz GNLMELUGNXUHIT-XYPHTWIQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968095481 1215285317 /nfs/dbraw/zinc/28/53/17/1215285317.db2.gz GNLMELUGNXUHIT-XYPHTWIQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000968099255 1215287355 /nfs/dbraw/zinc/28/73/55/1215287355.db2.gz YUZFMVLYJCYTBB-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000968099255 1215287366 /nfs/dbraw/zinc/28/73/66/1215287366.db2.gz YUZFMVLYJCYTBB-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000968099255 1215287367 /nfs/dbraw/zinc/28/73/67/1215287367.db2.gz YUZFMVLYJCYTBB-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000968099255 1215287372 /nfs/dbraw/zinc/28/73/72/1215287372.db2.gz YUZFMVLYJCYTBB-ZMSDIMECSA-N 2 1 366.506 0.107 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001222046558 1225590097 /nfs/dbraw/zinc/59/00/97/1225590097.db2.gz KCLMWZKSRKLKKF-BZUAXINKSA-N 2 1 362.474 0.200 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001222046558 1225590100 /nfs/dbraw/zinc/59/01/00/1225590100.db2.gz KCLMWZKSRKLKKF-BZUAXINKSA-N 2 1 362.474 0.200 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]21 ZINC001222051499 1225590936 /nfs/dbraw/zinc/59/09/36/1225590936.db2.gz YJQPXBXVLXBCAY-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222051499 1225590948 /nfs/dbraw/zinc/59/09/48/1225590948.db2.gz YJQPXBXVLXBCAY-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222051499 1225590953 /nfs/dbraw/zinc/59/09/53/1225590953.db2.gz YJQPXBXVLXBCAY-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222051499 1225590959 /nfs/dbraw/zinc/59/09/59/1225590959.db2.gz YJQPXBXVLXBCAY-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276827200 1225596332 /nfs/dbraw/zinc/59/63/32/1225596332.db2.gz KJUNOTIGKGFZNF-LPHOPBHVSA-N 2 1 369.506 0.567 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001222406503 1225623043 /nfs/dbraw/zinc/62/30/43/1225623043.db2.gz VSDQYPLLDJOBGW-MRXNPFEDSA-N 2 1 366.506 0.651 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001222406503 1225623049 /nfs/dbraw/zinc/62/30/49/1225623049.db2.gz VSDQYPLLDJOBGW-MRXNPFEDSA-N 2 1 366.506 0.651 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC001000702104 1216108325 /nfs/dbraw/zinc/10/83/25/1216108325.db2.gz QDNBKVNGKXFISM-KBAYOESNSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC001000702104 1216108329 /nfs/dbraw/zinc/10/83/29/1216108329.db2.gz QDNBKVNGKXFISM-KBAYOESNSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC001000702104 1216108333 /nfs/dbraw/zinc/10/83/33/1216108333.db2.gz QDNBKVNGKXFISM-KBAYOESNSA-N 2 1 362.518 0.991 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001001427004 1216197295 /nfs/dbraw/zinc/19/72/95/1216197295.db2.gz ZRMZNVVKPNAPCD-ARFHVFGLSA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnn(C)n3)CC2)O1 ZINC001050336137 1216308076 /nfs/dbraw/zinc/30/80/76/1216308076.db2.gz GSAXSYDVWXOBQZ-KCYZZUKISA-N 2 1 364.494 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnn(C)n3)CC2)O1 ZINC001050336137 1216308084 /nfs/dbraw/zinc/30/80/84/1216308084.db2.gz GSAXSYDVWXOBQZ-KCYZZUKISA-N 2 1 364.494 0.299 20 0 FCADMP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001050336496 1216308826 /nfs/dbraw/zinc/30/88/26/1216308826.db2.gz MJPJBHNPEPTYFE-DNNBLBMLSA-N 2 1 365.478 0.862 20 0 FCADMP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001050336496 1216308834 /nfs/dbraw/zinc/30/88/34/1216308834.db2.gz MJPJBHNPEPTYFE-DNNBLBMLSA-N 2 1 365.478 0.862 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050562606 1216336072 /nfs/dbraw/zinc/33/60/72/1216336072.db2.gz CNAVIKDSHRJDCQ-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050562606 1216336078 /nfs/dbraw/zinc/33/60/78/1216336078.db2.gz CNAVIKDSHRJDCQ-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051623843 1216467667 /nfs/dbraw/zinc/46/76/67/1216467667.db2.gz JMVZWEVLXJCFPR-OWCLPIDISA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051623843 1216467668 /nfs/dbraw/zinc/46/76/68/1216467668.db2.gz JMVZWEVLXJCFPR-OWCLPIDISA-N 2 1 364.494 0.516 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623015 1216467822 /nfs/dbraw/zinc/46/78/22/1216467822.db2.gz BJTRITUVPNRTEF-VNQPRFMTSA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001051623590 1216467869 /nfs/dbraw/zinc/46/78/69/1216467869.db2.gz HPJTZLBCLIDFLG-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1C ZINC001051624585 1216469583 /nfs/dbraw/zinc/46/95/83/1216469583.db2.gz RXQWJFTTWLVWCM-QLFBSQMISA-N 2 1 364.494 0.035 20 0 FCADMP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1C ZINC001051624585 1216469588 /nfs/dbraw/zinc/46/95/88/1216469588.db2.gz RXQWJFTTWLVWCM-QLFBSQMISA-N 2 1 364.494 0.035 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)ncn3)C2)CC[N@H+]1C ZINC001051624500 1216469984 /nfs/dbraw/zinc/46/99/84/1216469984.db2.gz QNSXJRSQVULOAR-FGTMMUONSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nccn3CC)C2)CC[N@H+]1C ZINC001051624939 1216470099 /nfs/dbraw/zinc/47/00/99/1216470099.db2.gz WHFMGGLYADPATL-YESZJQIVSA-N 2 1 363.506 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3CC)C2)CC[N@@H+]1C ZINC001051624656 1216470158 /nfs/dbraw/zinc/47/01/58/1216470158.db2.gz SBGUKKNKBFIXQK-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3CC)C2)CC[N@H+]1C ZINC001051624656 1216470163 /nfs/dbraw/zinc/47/01/63/1216470163.db2.gz SBGUKKNKBFIXQK-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678862 1216473508 /nfs/dbraw/zinc/47/35/08/1216473508.db2.gz FHJDFHDOLFHZLW-FRFSOERESA-N 2 1 366.462 0.273 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678862 1216473516 /nfs/dbraw/zinc/47/35/16/1216473516.db2.gz FHJDFHDOLFHZLW-FRFSOERESA-N 2 1 366.462 0.273 20 0 FCADMP Cc1cccnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681284 1216473974 /nfs/dbraw/zinc/47/39/74/1216473974.db2.gz VVRADOGPHOBJKQ-SOLBZPMBSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1cccnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681284 1216473978 /nfs/dbraw/zinc/47/39/78/1216473978.db2.gz VVRADOGPHOBJKQ-SOLBZPMBSA-N 2 1 362.474 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C23CC[NH+](CC2)C3)O1 ZINC001067712529 1216696628 /nfs/dbraw/zinc/69/66/28/1216696628.db2.gz WPYQRCAHMDTKGC-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C23CC[NH+](CC2)C3)O1 ZINC001067712529 1216696632 /nfs/dbraw/zinc/69/66/32/1216696632.db2.gz WPYQRCAHMDTKGC-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505483 1225711455 /nfs/dbraw/zinc/71/14/55/1225711455.db2.gz DTAWZRFVWGKIIN-JQHSSLGASA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505483 1225711459 /nfs/dbraw/zinc/71/14/59/1225711459.db2.gz DTAWZRFVWGKIIN-JQHSSLGASA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505483 1225711461 /nfs/dbraw/zinc/71/14/61/1225711461.db2.gz DTAWZRFVWGKIIN-JQHSSLGASA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223505483 1225711466 /nfs/dbraw/zinc/71/14/66/1225711466.db2.gz DTAWZRFVWGKIIN-JQHSSLGASA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@H+]1C ZINC001041299826 1217272841 /nfs/dbraw/zinc/27/28/41/1217272841.db2.gz FLVWCWGGZUVSLV-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001041299826 1217272843 /nfs/dbraw/zinc/27/28/43/1217272843.db2.gz FLVWCWGGZUVSLV-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001041299826 1217272847 /nfs/dbraw/zinc/27/28/47/1217272847.db2.gz FLVWCWGGZUVSLV-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223923295 1225747072 /nfs/dbraw/zinc/74/70/72/1225747072.db2.gz YSCYFWIHIICXHL-QAPCUYQASA-N 2 1 362.474 0.693 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223923295 1225747077 /nfs/dbraw/zinc/74/70/77/1225747077.db2.gz YSCYFWIHIICXHL-QAPCUYQASA-N 2 1 362.474 0.693 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCOCC)[C@H]2C1 ZINC001223977943 1225750601 /nfs/dbraw/zinc/75/06/01/1225750601.db2.gz NKRBIPSNAZVVBN-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCOCC)[C@H]2C1 ZINC001223977943 1225750605 /nfs/dbraw/zinc/75/06/05/1225750605.db2.gz NKRBIPSNAZVVBN-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCOCC)[C@H]2C1 ZINC001223977943 1225750608 /nfs/dbraw/zinc/75/06/08/1225750608.db2.gz NKRBIPSNAZVVBN-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCCOCC)[C@H]2C1 ZINC001223977943 1225750612 /nfs/dbraw/zinc/75/06/12/1225750612.db2.gz NKRBIPSNAZVVBN-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246080 1225768030 /nfs/dbraw/zinc/76/80/30/1225768030.db2.gz UCYPUJIHVWMXOM-MSOLQXFVSA-N 2 1 368.522 0.402 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246080 1225768032 /nfs/dbraw/zinc/76/80/32/1225768032.db2.gz UCYPUJIHVWMXOM-MSOLQXFVSA-N 2 1 368.522 0.402 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246080 1225768036 /nfs/dbraw/zinc/76/80/36/1225768036.db2.gz UCYPUJIHVWMXOM-MSOLQXFVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(CO)cc2)O1 ZINC001045090544 1217899008 /nfs/dbraw/zinc/89/90/08/1217899008.db2.gz AENRQBAWZPCQRO-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(CO)cc2)O1 ZINC001045090544 1217899011 /nfs/dbraw/zinc/89/90/11/1217899011.db2.gz AENRQBAWZPCQRO-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900192321 1217969321 /nfs/dbraw/zinc/96/93/21/1217969321.db2.gz LKIWKTXFJNSGLQ-CTNGQTDRSA-N 2 1 374.529 0.895 20 0 FCADMP C[NH+]1CCN(CCO[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001224552925 1225783825 /nfs/dbraw/zinc/78/38/25/1225783825.db2.gz UIFSNIVIGTYOJT-IRXDYDNUSA-N 2 1 368.522 0.944 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000900512997 1218000940 /nfs/dbraw/zinc/00/09/40/1218000940.db2.gz QXLZMMGIUAVIBT-QGZVFWFLSA-N 2 1 367.538 0.106 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000900512997 1218000944 /nfs/dbraw/zinc/00/09/44/1218000944.db2.gz QXLZMMGIUAVIBT-QGZVFWFLSA-N 2 1 367.538 0.106 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000900512997 1218000948 /nfs/dbraw/zinc/00/09/48/1218000948.db2.gz QXLZMMGIUAVIBT-QGZVFWFLSA-N 2 1 367.538 0.106 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000900586892 1218008995 /nfs/dbraw/zinc/00/89/95/1218008995.db2.gz SGXSOXKABAZSHZ-IRXDYDNUSA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000900586892 1218008999 /nfs/dbraw/zinc/00/89/99/1218008999.db2.gz SGXSOXKABAZSHZ-IRXDYDNUSA-N 2 1 369.506 0.831 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000900672169 1218022655 /nfs/dbraw/zinc/02/26/55/1218022655.db2.gz AISNIWHTRPBPPQ-GOSISDBHSA-N 2 1 365.566 0.687 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001046330532 1218026637 /nfs/dbraw/zinc/02/66/37/1218026637.db2.gz MIHNAAVTBARWJL-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001046330532 1218026643 /nfs/dbraw/zinc/02/66/43/1218026643.db2.gz MIHNAAVTBARWJL-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046330532 1218026649 /nfs/dbraw/zinc/02/66/49/1218026649.db2.gz MIHNAAVTBARWJL-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046330532 1218026654 /nfs/dbraw/zinc/02/66/54/1218026654.db2.gz MIHNAAVTBARWJL-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001046334852 1218027599 /nfs/dbraw/zinc/02/75/99/1218027599.db2.gz WSUCVARQBKCNTN-QMTMVMCOSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046334852 1218027606 /nfs/dbraw/zinc/02/76/06/1218027606.db2.gz WSUCVARQBKCNTN-QMTMVMCOSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046334852 1218027609 /nfs/dbraw/zinc/02/76/09/1218027609.db2.gz WSUCVARQBKCNTN-QMTMVMCOSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001046334851 1218027854 /nfs/dbraw/zinc/02/78/54/1218027854.db2.gz WSUCVARQBKCNTN-KHYOSLBOSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046334851 1218027856 /nfs/dbraw/zinc/02/78/56/1218027856.db2.gz WSUCVARQBKCNTN-KHYOSLBOSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046334851 1218027864 /nfs/dbraw/zinc/02/78/64/1218027864.db2.gz WSUCVARQBKCNTN-KHYOSLBOSA-N 2 1 364.490 0.446 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000901229866 1218096473 /nfs/dbraw/zinc/09/64/73/1218096473.db2.gz VZGRUCJHLIYXMC-MRXNPFEDSA-N 2 1 369.506 0.567 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000901229866 1218096477 /nfs/dbraw/zinc/09/64/77/1218096477.db2.gz VZGRUCJHLIYXMC-MRXNPFEDSA-N 2 1 369.506 0.567 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000901229866 1218096482 /nfs/dbraw/zinc/09/64/82/1218096482.db2.gz VZGRUCJHLIYXMC-MRXNPFEDSA-N 2 1 369.506 0.567 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048829893 1218324797 /nfs/dbraw/zinc/32/47/97/1218324797.db2.gz BXNHVBDBVJCJNA-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048829893 1218324803 /nfs/dbraw/zinc/32/48/03/1218324803.db2.gz BXNHVBDBVJCJNA-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048829893 1218324810 /nfs/dbraw/zinc/32/48/10/1218324810.db2.gz BXNHVBDBVJCJNA-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048922904 1218342142 /nfs/dbraw/zinc/34/21/42/1218342142.db2.gz BTLXTHUHVULADS-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525134 1225814959 /nfs/dbraw/zinc/81/49/59/1225814959.db2.gz LXUQHQCKSQBAGQ-BZUAXINKSA-N 2 1 369.510 0.042 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525134 1225814963 /nfs/dbraw/zinc/81/49/63/1225814963.db2.gz LXUQHQCKSQBAGQ-BZUAXINKSA-N 2 1 369.510 0.042 20 0 FCADMP C[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)CCN1CC[NH2+]CC1 ZINC000903422405 1218408536 /nfs/dbraw/zinc/40/85/36/1218408536.db2.gz BOESFZDSPIKMSD-UHFFFAOYSA-N 2 1 360.458 0.136 20 0 FCADMP O=C1c2ccccc2C(=O)N1CCOCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453864 1218415830 /nfs/dbraw/zinc/41/58/30/1218415830.db2.gz OGUAOSOIXIDJFH-MRXNPFEDSA-N 2 1 372.469 0.279 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538353 1218458785 /nfs/dbraw/zinc/45/87/85/1218458785.db2.gz GKFYEZICHPAPAU-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538353 1218458792 /nfs/dbraw/zinc/45/87/92/1218458792.db2.gz GKFYEZICHPAPAU-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538353 1218458797 /nfs/dbraw/zinc/45/87/97/1218458797.db2.gz GKFYEZICHPAPAU-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001096538353 1218458807 /nfs/dbraw/zinc/45/88/07/1218458807.db2.gz GKFYEZICHPAPAU-MHORFTMASA-N 2 1 356.470 0.959 20 0 FCADMP O=C(CN1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903734350 1218510672 /nfs/dbraw/zinc/51/06/72/1218510672.db2.gz XSHRVPIKKVWBHT-SFHVURJKSA-N 2 1 364.534 0.775 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903770235 1218521119 /nfs/dbraw/zinc/52/11/19/1218521119.db2.gz UURRORXWARHIQM-CQSZACIVSA-N 2 1 371.489 0.995 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)C1 ZINC001096583168 1218564753 /nfs/dbraw/zinc/56/47/53/1218564753.db2.gz KDRIMCMMUHUZAE-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001096583168 1218564759 /nfs/dbraw/zinc/56/47/59/1218564759.db2.gz KDRIMCMMUHUZAE-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccnn2C)C1 ZINC001096583168 1218564767 /nfs/dbraw/zinc/56/47/67/1218564767.db2.gz KDRIMCMMUHUZAE-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccnn2C)C1 ZINC001096583168 1218564782 /nfs/dbraw/zinc/56/47/82/1218564782.db2.gz KDRIMCMMUHUZAE-VSZNYVQBSA-N 2 1 361.490 0.405 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)N1CCCC1 ZINC001097079036 1218682031 /nfs/dbraw/zinc/68/20/31/1218682031.db2.gz FXYMKHBCXBONEJ-XDNAFOTISA-N 2 1 360.502 0.672 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)N1CCCC1 ZINC001097079036 1218682034 /nfs/dbraw/zinc/68/20/34/1218682034.db2.gz FXYMKHBCXBONEJ-XDNAFOTISA-N 2 1 360.502 0.672 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001097085559 1218685380 /nfs/dbraw/zinc/68/53/80/1218685380.db2.gz IKRPOODXWDDCRJ-HCXYKTFWSA-N 2 1 372.517 0.958 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)O1 ZINC001097323079 1218777501 /nfs/dbraw/zinc/77/75/01/1218777501.db2.gz RRLSJTFPIHGCBL-FXXCCUJSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)O1 ZINC001097323079 1218777513 /nfs/dbraw/zinc/77/75/13/1218777513.db2.gz RRLSJTFPIHGCBL-FXXCCUJSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)O1 ZINC001097323079 1218777519 /nfs/dbraw/zinc/77/75/19/1218777519.db2.gz RRLSJTFPIHGCBL-FXXCCUJSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)O1 ZINC001097323079 1218777526 /nfs/dbraw/zinc/77/75/26/1218777526.db2.gz RRLSJTFPIHGCBL-FXXCCUJSSA-N 2 1 374.485 0.326 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001097854654 1218853415 /nfs/dbraw/zinc/85/34/15/1218853415.db2.gz OACURATVZLUXQE-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001097854654 1218853416 /nfs/dbraw/zinc/85/34/16/1218853416.db2.gz OACURATVZLUXQE-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001097854654 1218853417 /nfs/dbraw/zinc/85/34/17/1218853417.db2.gz OACURATVZLUXQE-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001097854654 1218853418 /nfs/dbraw/zinc/85/34/18/1218853418.db2.gz OACURATVZLUXQE-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP CCOc1ncccc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277177880 1225862204 /nfs/dbraw/zinc/86/22/04/1225862204.db2.gz IQQRKDRXTTWAQR-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1ncccc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277177880 1225862206 /nfs/dbraw/zinc/86/22/06/1225862206.db2.gz IQQRKDRXTTWAQR-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)O1 ZINC001227028906 1225861470 /nfs/dbraw/zinc/86/14/70/1225861470.db2.gz SEVOLIPPCUCZEW-MWQQHZPXSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)O1 ZINC001227028906 1225861473 /nfs/dbraw/zinc/86/14/73/1225861473.db2.gz SEVOLIPPCUCZEW-MWQQHZPXSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@H](CN1CCN(C)CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001226904183 1225857683 /nfs/dbraw/zinc/85/76/83/1225857683.db2.gz OICVXLBUGSWAAF-KZNAEPCWSA-N 2 1 368.570 0.003 20 0 FCADMP CO[C@@H](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055540521 1219072613 /nfs/dbraw/zinc/07/26/13/1219072613.db2.gz PJEITVGLMRPLOB-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227091091 1225863439 /nfs/dbraw/zinc/86/34/39/1225863439.db2.gz KXHJMPOCPDNGIC-RBSFLKMASA-N 2 1 367.494 0.333 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055578283 1219085696 /nfs/dbraw/zinc/08/56/96/1219085696.db2.gz LYJFYGNRTUXJCE-JXXFODFXSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cnco3)CC2)CC[N@H+]1C ZINC001055583668 1219088181 /nfs/dbraw/zinc/08/81/81/1219088181.db2.gz XOFGDROURKLOIY-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001055589765 1219090752 /nfs/dbraw/zinc/09/07/52/1219090752.db2.gz PQLYWYNACBNSSA-NVXWUHKLSA-N 2 1 368.522 0.591 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055001 1219108648 /nfs/dbraw/zinc/10/86/48/1219108648.db2.gz CLHPJENZSYACBQ-HZPDHXFCSA-N 2 1 363.462 0.019 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055001 1219108652 /nfs/dbraw/zinc/10/86/52/1219108652.db2.gz CLHPJENZSYACBQ-HZPDHXFCSA-N 2 1 363.462 0.019 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064195 1219127078 /nfs/dbraw/zinc/12/70/78/1219127078.db2.gz FXEHVVMNCLQASU-SJORKVTESA-N 2 1 366.429 0.923 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064195 1219127083 /nfs/dbraw/zinc/12/70/83/1219127083.db2.gz FXEHVVMNCLQASU-SJORKVTESA-N 2 1 366.429 0.923 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096095 1219166943 /nfs/dbraw/zinc/16/69/43/1219166943.db2.gz HUEHLJDGXLTJRE-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096095 1219166948 /nfs/dbraw/zinc/16/69/48/1219166948.db2.gz HUEHLJDGXLTJRE-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096095 1219166954 /nfs/dbraw/zinc/16/69/54/1219166954.db2.gz HUEHLJDGXLTJRE-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096095 1219166960 /nfs/dbraw/zinc/16/69/60/1219166960.db2.gz HUEHLJDGXLTJRE-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097088 1219167649 /nfs/dbraw/zinc/16/76/49/1219167649.db2.gz BEVNQCZOMSYMJY-UAGQMJEPSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097088 1219167652 /nfs/dbraw/zinc/16/76/52/1219167652.db2.gz BEVNQCZOMSYMJY-UAGQMJEPSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097088 1219167656 /nfs/dbraw/zinc/16/76/56/1219167656.db2.gz BEVNQCZOMSYMJY-UAGQMJEPSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070158574 1219245404 /nfs/dbraw/zinc/24/54/04/1219245404.db2.gz QAIVAZMSCOTJJL-IKGGRYGDSA-N 2 1 355.446 0.309 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070158574 1219245406 /nfs/dbraw/zinc/24/54/06/1219245406.db2.gz QAIVAZMSCOTJJL-IKGGRYGDSA-N 2 1 355.446 0.309 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525284 1225878353 /nfs/dbraw/zinc/87/83/53/1225878353.db2.gz RITCIXYHFQXHNW-IAGOWNOFSA-N 2 1 365.478 0.361 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001227525520 1225878381 /nfs/dbraw/zinc/87/83/81/1225878381.db2.gz YXOPXYKNUIVUFO-HUUCEWRRSA-N 2 1 371.445 0.637 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070213001 1219296642 /nfs/dbraw/zinc/29/66/42/1219296642.db2.gz CRFKXMZEANBLFB-SQNIBIBYSA-N 2 1 371.489 0.801 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)o1 ZINC001070327049 1219377623 /nfs/dbraw/zinc/37/76/23/1219377623.db2.gz PHDHUNUWQCIQEF-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)o1 ZINC001070327049 1219377627 /nfs/dbraw/zinc/37/76/27/1219377627.db2.gz PHDHUNUWQCIQEF-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331277 1219381782 /nfs/dbraw/zinc/38/17/82/1219381782.db2.gz NEQGIKNAMIEYJR-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331277 1219381788 /nfs/dbraw/zinc/38/17/88/1219381788.db2.gz NEQGIKNAMIEYJR-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070367155 1219398722 /nfs/dbraw/zinc/39/87/22/1219398722.db2.gz HNNHOFHYYANIDL-AOIWGVFYSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCCF)C2)O1 ZINC001070412503 1219409953 /nfs/dbraw/zinc/40/99/53/1219409953.db2.gz BLZQWSUTUMAMSM-IIAWOOMASA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCCF)C2)O1 ZINC001070412503 1219409955 /nfs/dbraw/zinc/40/99/55/1219409955.db2.gz BLZQWSUTUMAMSM-IIAWOOMASA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCCF)C2)O1 ZINC001070412503 1219409958 /nfs/dbraw/zinc/40/99/58/1219409958.db2.gz BLZQWSUTUMAMSM-IIAWOOMASA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CCCF)C2)O1 ZINC001070412503 1219409960 /nfs/dbraw/zinc/40/99/60/1219409960.db2.gz BLZQWSUTUMAMSM-IIAWOOMASA-N 2 1 367.469 0.894 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]Cc3ccon3)C2)CC[N@@H+]1C ZINC001070494710 1219438135 /nfs/dbraw/zinc/43/81/35/1219438135.db2.gz FJQAZBFDQZBFPM-NYCLONFESA-N 2 1 372.473 0.833 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]Cc3ccon3)C2)CC[N@H+]1C ZINC001070494710 1219438136 /nfs/dbraw/zinc/43/81/36/1219438136.db2.gz FJQAZBFDQZBFPM-NYCLONFESA-N 2 1 372.473 0.833 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070564151 1219471218 /nfs/dbraw/zinc/47/12/18/1219471218.db2.gz XHLMZPSUJQNMIB-ZIFCJYIRSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070564103 1219471494 /nfs/dbraw/zinc/47/14/94/1219471494.db2.gz VGAQDUQXAJIGRO-XYJFISCASA-N 2 1 371.489 0.153 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629612 1219494741 /nfs/dbraw/zinc/49/47/41/1219494741.db2.gz ORIFCYDWRVAFMJ-OAGGEKHMSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629612 1219494743 /nfs/dbraw/zinc/49/47/43/1219494743.db2.gz ORIFCYDWRVAFMJ-OAGGEKHMSA-N 2 1 371.489 0.332 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913087 1219565585 /nfs/dbraw/zinc/56/55/85/1219565585.db2.gz BBDQEMDWJHXARI-OAGGEKHMSA-N 2 1 364.490 0.987 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917993 1219573462 /nfs/dbraw/zinc/57/34/62/1219573462.db2.gz QFLMRQVYYZCTNX-ZACQAIPSSA-N 2 1 364.490 0.843 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001070924829 1219582466 /nfs/dbraw/zinc/58/24/66/1219582466.db2.gz UUQVINPPBGJULF-ZACQAIPSSA-N 2 1 364.490 0.988 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001070924829 1219582469 /nfs/dbraw/zinc/58/24/69/1219582469.db2.gz UUQVINPPBGJULF-ZACQAIPSSA-N 2 1 364.490 0.988 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001070924909 1219582757 /nfs/dbraw/zinc/58/27/57/1219582757.db2.gz XWLYZJRMHHGNHZ-OAGGEKHMSA-N 2 1 368.453 0.548 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001070924909 1219582760 /nfs/dbraw/zinc/58/27/60/1219582760.db2.gz XWLYZJRMHHGNHZ-OAGGEKHMSA-N 2 1 368.453 0.548 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+]([C@H](C)COC)CC2)CC[N@@H+]1C ZINC001070965873 1219585127 /nfs/dbraw/zinc/58/51/27/1219585127.db2.gz YFXLTTOLOPCAQV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+]([C@H](C)COC)CC2)CC[N@H+]1C ZINC001070965873 1219585130 /nfs/dbraw/zinc/58/51/30/1219585130.db2.gz YFXLTTOLOPCAQV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+]([C@H](C)COC)CC2)CC[NH+]1C ZINC001070965873 1219585133 /nfs/dbraw/zinc/58/51/33/1219585133.db2.gz YFXLTTOLOPCAQV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+]([C@H](C)COC)CC2)CC[NH+]1C ZINC001070965873 1219585136 /nfs/dbraw/zinc/58/51/36/1219585136.db2.gz YFXLTTOLOPCAQV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001071072709 1219600461 /nfs/dbraw/zinc/60/04/61/1219600461.db2.gz JAWWEXDEHWHTAQ-GPCAFAEISA-N 2 1 363.502 0.855 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752500 1219621616 /nfs/dbraw/zinc/62/16/16/1219621616.db2.gz MYRQHFMSWYRMJE-ZACQAIPSSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752500 1219621618 /nfs/dbraw/zinc/62/16/18/1219621618.db2.gz MYRQHFMSWYRMJE-ZACQAIPSSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC001072752500 1219621620 /nfs/dbraw/zinc/62/16/20/1219621620.db2.gz MYRQHFMSWYRMJE-ZACQAIPSSA-N 2 1 362.518 0.870 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073045658 1219633171 /nfs/dbraw/zinc/63/31/71/1219633171.db2.gz RHAQOYJLRIREER-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073045658 1219633174 /nfs/dbraw/zinc/63/31/74/1219633174.db2.gz RHAQOYJLRIREER-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001073123770 1219638268 /nfs/dbraw/zinc/63/82/68/1219638268.db2.gz JOWUYLYTUZQCHN-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001073123770 1219638272 /nfs/dbraw/zinc/63/82/72/1219638272.db2.gz JOWUYLYTUZQCHN-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](CC)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073124012 1219638337 /nfs/dbraw/zinc/63/83/37/1219638337.db2.gz SMXVLBCYEGXBHY-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073124012 1219638338 /nfs/dbraw/zinc/63/83/38/1219638338.db2.gz SMXVLBCYEGXBHY-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001073123881 1219638436 /nfs/dbraw/zinc/63/84/36/1219638436.db2.gz NUZNFNFEADSVQD-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001073123881 1219638438 /nfs/dbraw/zinc/63/84/38/1219638438.db2.gz NUZNFNFEADSVQD-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611468 1219673671 /nfs/dbraw/zinc/67/36/71/1219673671.db2.gz XTTXVVWCOWCARN-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611468 1219673673 /nfs/dbraw/zinc/67/36/73/1219673673.db2.gz XTTXVVWCOWCARN-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611468 1219673674 /nfs/dbraw/zinc/67/36/74/1219673674.db2.gz XTTXVVWCOWCARN-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611468 1219673675 /nfs/dbraw/zinc/67/36/75/1219673675.db2.gz XTTXVVWCOWCARN-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074596156 1219699321 /nfs/dbraw/zinc/69/93/21/1219699321.db2.gz KTKIXQWBHMWDTC-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)[C@@H]2C)CC[N@@H+]1C ZINC001074661823 1219711812 /nfs/dbraw/zinc/71/18/12/1219711812.db2.gz NBJBYDNYVBVVLV-BARDWOONSA-N 2 1 362.478 0.228 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)[C@@H]2C)CC[N@H+]1C ZINC001074661823 1219711817 /nfs/dbraw/zinc/71/18/17/1219711817.db2.gz NBJBYDNYVBVVLV-BARDWOONSA-N 2 1 362.478 0.228 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001074658979 1219712151 /nfs/dbraw/zinc/71/21/51/1219712151.db2.gz PZDSSEFPPORXBG-YHUYYLMFSA-N 2 1 364.490 0.445 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074711102 1219717423 /nfs/dbraw/zinc/71/74/23/1219717423.db2.gz QVMASDQWLVCPQX-VWNJHIHFSA-N 2 1 364.494 0.405 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074711102 1219717425 /nfs/dbraw/zinc/71/74/25/1219717425.db2.gz QVMASDQWLVCPQX-VWNJHIHFSA-N 2 1 364.494 0.405 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)c1 ZINC001074709999 1219717522 /nfs/dbraw/zinc/71/75/22/1219717522.db2.gz ZCMQTDPMSMIBFT-IDCJVQTKSA-N 2 1 362.474 0.888 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)c1 ZINC001074709999 1219717524 /nfs/dbraw/zinc/71/75/24/1219717524.db2.gz ZCMQTDPMSMIBFT-IDCJVQTKSA-N 2 1 362.474 0.888 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001098224825 1219744364 /nfs/dbraw/zinc/74/43/64/1219744364.db2.gz HQKLUPWCOXCOHP-BDXSIMOUSA-N 2 1 372.513 0.957 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001098224825 1219744368 /nfs/dbraw/zinc/74/43/68/1219744368.db2.gz HQKLUPWCOXCOHP-BDXSIMOUSA-N 2 1 372.513 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001098371385 1219767740 /nfs/dbraw/zinc/76/77/40/1219767740.db2.gz OMXOSOKPVYKUMT-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001098371385 1219767742 /nfs/dbraw/zinc/76/77/42/1219767742.db2.gz OMXOSOKPVYKUMT-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3ccn(C)n3)CC2)CC[NH+]1C ZINC001098371385 1219767745 /nfs/dbraw/zinc/76/77/45/1219767745.db2.gz OMXOSOKPVYKUMT-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3ccn(C)n3)CC2)CC[NH+]1C ZINC001098371385 1219767748 /nfs/dbraw/zinc/76/77/48/1219767748.db2.gz OMXOSOKPVYKUMT-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001098370967 1219768217 /nfs/dbraw/zinc/76/82/17/1219768217.db2.gz DJNBTXLBNLJELM-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC001098370967 1219768220 /nfs/dbraw/zinc/76/82/20/1219768220.db2.gz DJNBTXLBNLJELM-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC001098370967 1219768224 /nfs/dbraw/zinc/76/82/24/1219768224.db2.gz DJNBTXLBNLJELM-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111460364 1219827136 /nfs/dbraw/zinc/82/71/36/1219827136.db2.gz SLEJCCMQFHUGLM-ZACQAIPSSA-N 2 1 363.506 0.609 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001098945903 1219872024 /nfs/dbraw/zinc/87/20/24/1219872024.db2.gz PBBUHKSGMGLYPH-BXWFABGCSA-N 2 1 369.473 0.941 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001098945903 1219872025 /nfs/dbraw/zinc/87/20/25/1219872025.db2.gz PBBUHKSGMGLYPH-BXWFABGCSA-N 2 1 369.473 0.941 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099011102 1219888303 /nfs/dbraw/zinc/88/83/03/1219888303.db2.gz URBLWLAEGDDVIJ-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029690 1219892285 /nfs/dbraw/zinc/89/22/85/1219892285.db2.gz IYXRRYUPJGNRLO-KYNGSXCRSA-N 2 1 368.497 0.916 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029690 1219892287 /nfs/dbraw/zinc/89/22/87/1219892287.db2.gz IYXRRYUPJGNRLO-KYNGSXCRSA-N 2 1 368.497 0.916 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001099029690 1219892290 /nfs/dbraw/zinc/89/22/90/1219892290.db2.gz IYXRRYUPJGNRLO-KYNGSXCRSA-N 2 1 368.497 0.916 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099029690 1219892293 /nfs/dbraw/zinc/89/22/93/1219892293.db2.gz IYXRRYUPJGNRLO-KYNGSXCRSA-N 2 1 368.497 0.916 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)cc1 ZINC001099033468 1219894130 /nfs/dbraw/zinc/89/41/30/1219894130.db2.gz WZPSNVCMJRIFTJ-PXNSSMCTSA-N 2 1 358.486 0.860 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)cc1 ZINC001099033468 1219894132 /nfs/dbraw/zinc/89/41/32/1219894132.db2.gz WZPSNVCMJRIFTJ-PXNSSMCTSA-N 2 1 358.486 0.860 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099114400 1219918243 /nfs/dbraw/zinc/91/82/43/1219918243.db2.gz RWSZAXRWIZGONS-VHFSOBRXSA-N 2 1 362.518 0.953 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099122632 1219921991 /nfs/dbraw/zinc/92/19/91/1219921991.db2.gz DKNIHPMOUMOCFT-YRNRMSPPSA-N 2 1 360.502 0.674 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159891 1219935012 /nfs/dbraw/zinc/93/50/12/1219935012.db2.gz LMIAALZMSBYIGX-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159891 1219935016 /nfs/dbraw/zinc/93/50/16/1219935016.db2.gz LMIAALZMSBYIGX-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCCC2)C3)C1 ZINC001099159891 1219935023 /nfs/dbraw/zinc/93/50/23/1219935023.db2.gz LMIAALZMSBYIGX-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)cn1 ZINC001099403836 1219983718 /nfs/dbraw/zinc/98/37/18/1219983718.db2.gz QQHPGOXLXUDQHX-SCTDSRPQSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)cn1 ZINC001099403836 1219983719 /nfs/dbraw/zinc/98/37/19/1219983719.db2.gz QQHPGOXLXUDQHX-SCTDSRPQSA-N 2 1 361.490 0.469 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001099445705 1219998855 /nfs/dbraw/zinc/99/88/55/1219998855.db2.gz CDUPSDAKCIRUBE-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2CCCC[N@@H+]2C)C3)n1 ZINC001099454227 1220002437 /nfs/dbraw/zinc/00/24/37/1220002437.db2.gz CNTBLHAUBZKXOX-DAYGRLMNSA-N 2 1 361.494 0.413 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2CCCC[N@H+]2C)C3)n1 ZINC001099454227 1220002442 /nfs/dbraw/zinc/00/24/42/1220002442.db2.gz CNTBLHAUBZKXOX-DAYGRLMNSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncccn3)C2)O1 ZINC001099451886 1220002516 /nfs/dbraw/zinc/00/25/16/1220002516.db2.gz DDDODNYLVOMPQL-YZLZLFLDSA-N 2 1 373.501 0.914 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncccn3)C2)O1 ZINC001099451886 1220002522 /nfs/dbraw/zinc/00/25/22/1220002522.db2.gz DDDODNYLVOMPQL-YZLZLFLDSA-N 2 1 373.501 0.914 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099464619 1220005620 /nfs/dbraw/zinc/00/56/20/1220005620.db2.gz NCYSAWRMZLADGR-BXWFABGCSA-N 2 1 359.474 0.688 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001099499628 1220015192 /nfs/dbraw/zinc/01/51/92/1220015192.db2.gz KUMFKXJCVMVDSW-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001099497042 1220015409 /nfs/dbraw/zinc/01/54/09/1220015409.db2.gz PPQQRWMOBXEJES-VKJFTORMSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001099497042 1220015415 /nfs/dbraw/zinc/01/54/15/1220015415.db2.gz PPQQRWMOBXEJES-VKJFTORMSA-N 2 1 361.494 0.413 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001099525798 1220023809 /nfs/dbraw/zinc/02/38/09/1220023809.db2.gz YIYCUWSBKHKXJO-KSSFIOAISA-N 2 1 359.478 0.024 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277791 1220263227 /nfs/dbraw/zinc/26/32/27/1220263227.db2.gz YRRYCEUWRBRSDT-MDZRGWNJSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228852326 1225958608 /nfs/dbraw/zinc/95/86/08/1225958608.db2.gz HOBYVGFOZNIPDA-CHWSQXEVSA-N 2 1 364.450 0.218 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317046 1220284364 /nfs/dbraw/zinc/28/43/64/1220284364.db2.gz DZTLAAMXSLXJFD-MDZRGWNJSA-N 2 1 361.490 0.968 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@]2(C)C1 ZINC001101351292 1220298655 /nfs/dbraw/zinc/29/86/55/1220298655.db2.gz BLOPRAFYOLDMAK-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@@]2(C)C1 ZINC001101351532 1220298665 /nfs/dbraw/zinc/29/86/65/1220298665.db2.gz JFTMVNDUFFXFQC-MDZRGWNJSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@@]2(C)C1 ZINC001101351532 1220298668 /nfs/dbraw/zinc/29/86/68/1220298668.db2.gz JFTMVNDUFFXFQC-MDZRGWNJSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402615 1220325440 /nfs/dbraw/zinc/32/54/40/1220325440.db2.gz RRHNLVTYLCZNRX-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432256 1220341620 /nfs/dbraw/zinc/34/16/20/1220341620.db2.gz JGRSEKJWZXAAJW-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432273 1220341755 /nfs/dbraw/zinc/34/17/55/1220341755.db2.gz KCFDZUVVTDOAKD-APWZRJJASA-N 2 1 363.506 0.762 20 0 FCADMP CCn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432273 1220341756 /nfs/dbraw/zinc/34/17/56/1220341756.db2.gz KCFDZUVVTDOAKD-APWZRJJASA-N 2 1 363.506 0.762 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101441256 1220346920 /nfs/dbraw/zinc/34/69/20/1220346920.db2.gz OZVCKPNVKRVTHG-APWZRJJASA-N 2 1 365.522 0.524 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101441256 1220346925 /nfs/dbraw/zinc/34/69/25/1220346925.db2.gz OZVCKPNVKRVTHG-APWZRJJASA-N 2 1 365.522 0.524 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101441256 1220346929 /nfs/dbraw/zinc/34/69/29/1220346929.db2.gz OZVCKPNVKRVTHG-APWZRJJASA-N 2 1 365.522 0.524 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC001101461437 1220358509 /nfs/dbraw/zinc/35/85/09/1220358509.db2.gz BIADFTABGSYIBQ-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC001101461580 1220359329 /nfs/dbraw/zinc/35/93/29/1220359329.db2.gz JGGKCRJANKAQRA-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001101474289 1220366791 /nfs/dbraw/zinc/36/67/91/1220366791.db2.gz RJFLPZWOUGTYDH-HLIPFELVSA-N 2 1 362.518 0.921 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478155 1220368518 /nfs/dbraw/zinc/36/85/18/1220368518.db2.gz AKLFQISERAZERC-MJGOQNOKSA-N 2 1 368.522 0.260 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478155 1220368521 /nfs/dbraw/zinc/36/85/21/1220368521.db2.gz AKLFQISERAZERC-MJGOQNOKSA-N 2 1 368.522 0.260 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478155 1220368524 /nfs/dbraw/zinc/36/85/24/1220368524.db2.gz AKLFQISERAZERC-MJGOQNOKSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228932576 1225964442 /nfs/dbraw/zinc/96/44/42/1225964442.db2.gz QKJBZKVUUOHRND-RBSFLKMASA-N 2 1 367.494 0.461 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844110 1220413830 /nfs/dbraw/zinc/41/38/30/1220413830.db2.gz MBQZDFYPJKCDNU-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844110 1220413833 /nfs/dbraw/zinc/41/38/33/1220413833.db2.gz MBQZDFYPJKCDNU-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844110 1220413836 /nfs/dbraw/zinc/41/38/36/1220413836.db2.gz MBQZDFYPJKCDNU-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844110 1220413839 /nfs/dbraw/zinc/41/38/39/1220413839.db2.gz MBQZDFYPJKCDNU-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843908 1220414188 /nfs/dbraw/zinc/41/41/88/1220414188.db2.gz CHXQNBIWQCEXAY-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843908 1220414193 /nfs/dbraw/zinc/41/41/93/1220414193.db2.gz CHXQNBIWQCEXAY-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843908 1220414196 /nfs/dbraw/zinc/41/41/96/1220414196.db2.gz CHXQNBIWQCEXAY-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843908 1220414201 /nfs/dbraw/zinc/41/42/01/1220414201.db2.gz CHXQNBIWQCEXAY-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976195 1220450139 /nfs/dbraw/zinc/45/01/39/1220450139.db2.gz OHSQJAMMIUZJQT-DJIMGWMZSA-N 2 1 364.534 0.927 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020951 1220466409 /nfs/dbraw/zinc/46/64/09/1220466409.db2.gz FUWGMHVOKVIANJ-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020951 1220466411 /nfs/dbraw/zinc/46/64/11/1220466411.db2.gz FUWGMHVOKVIANJ-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102020951 1220466413 /nfs/dbraw/zinc/46/64/13/1220466413.db2.gz FUWGMHVOKVIANJ-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059185 1220481394 /nfs/dbraw/zinc/48/13/94/1220481394.db2.gz FNEWWQGCMRHYRD-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059185 1220481396 /nfs/dbraw/zinc/48/13/96/1220481396.db2.gz FNEWWQGCMRHYRD-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059185 1220481399 /nfs/dbraw/zinc/48/13/99/1220481399.db2.gz FNEWWQGCMRHYRD-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070569 1220485793 /nfs/dbraw/zinc/48/57/93/1220485793.db2.gz NTGXBJQYIBEWFA-NUJGCVRESA-N 2 1 370.538 0.409 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102079127 1220488707 /nfs/dbraw/zinc/48/87/07/1220488707.db2.gz XFUJFAVTUSLERE-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102079127 1220488711 /nfs/dbraw/zinc/48/87/11/1220488711.db2.gz XFUJFAVTUSLERE-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001102079127 1220488715 /nfs/dbraw/zinc/48/87/15/1220488715.db2.gz XFUJFAVTUSLERE-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001102079127 1220488719 /nfs/dbraw/zinc/48/87/19/1220488719.db2.gz XFUJFAVTUSLERE-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091214 1220493425 /nfs/dbraw/zinc/49/34/25/1220493425.db2.gz XROALGBJSLECCT-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091214 1220493428 /nfs/dbraw/zinc/49/34/28/1220493428.db2.gz XROALGBJSLECCT-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091214 1220493432 /nfs/dbraw/zinc/49/34/32/1220493432.db2.gz XROALGBJSLECCT-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108401 1220499628 /nfs/dbraw/zinc/49/96/28/1220499628.db2.gz KXILZZQBUCNOHC-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273715 1220569304 /nfs/dbraw/zinc/56/93/04/1220569304.db2.gz NCCMILSFALWZPT-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273715 1220569309 /nfs/dbraw/zinc/56/93/09/1220569309.db2.gz NCCMILSFALWZPT-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273715 1220569316 /nfs/dbraw/zinc/56/93/16/1220569316.db2.gz NCCMILSFALWZPT-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294038 1220578275 /nfs/dbraw/zinc/57/82/75/1220578275.db2.gz FCUSIJQHUMAVBX-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001277353754 1225978076 /nfs/dbraw/zinc/97/80/76/1225978076.db2.gz QWZAJYHFZNZELF-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001277353754 1225978082 /nfs/dbraw/zinc/97/80/82/1225978082.db2.gz QWZAJYHFZNZELF-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368337 1220596425 /nfs/dbraw/zinc/59/64/25/1220596425.db2.gz PXTUVDHDGUADMQ-JFIYKMOQSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368337 1220596427 /nfs/dbraw/zinc/59/64/27/1220596427.db2.gz PXTUVDHDGUADMQ-JFIYKMOQSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368337 1220596430 /nfs/dbraw/zinc/59/64/30/1220596430.db2.gz PXTUVDHDGUADMQ-JFIYKMOQSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C)[NH+](C)C ZINC001102378482 1220600370 /nfs/dbraw/zinc/60/03/70/1220600370.db2.gz YPHYRQUPLRFGRJ-KFWWJZLASA-N 2 1 362.478 0.439 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C)[NH+](C)C ZINC001102378482 1220600373 /nfs/dbraw/zinc/60/03/73/1220600373.db2.gz YPHYRQUPLRFGRJ-KFWWJZLASA-N 2 1 362.478 0.439 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376890 1220600929 /nfs/dbraw/zinc/60/09/29/1220600929.db2.gz ARAOPUVTLKSLJJ-SJLPKXTDSA-N 2 1 360.502 0.591 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376890 1220600932 /nfs/dbraw/zinc/60/09/32/1220600932.db2.gz ARAOPUVTLKSLJJ-SJLPKXTDSA-N 2 1 360.502 0.591 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376890 1220600936 /nfs/dbraw/zinc/60/09/36/1220600936.db2.gz ARAOPUVTLKSLJJ-SJLPKXTDSA-N 2 1 360.502 0.591 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102428871 1220622239 /nfs/dbraw/zinc/62/22/39/1220622239.db2.gz WYOMCUKIMZUMOC-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102428871 1220622244 /nfs/dbraw/zinc/62/22/44/1220622244.db2.gz WYOMCUKIMZUMOC-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467281 1220636978 /nfs/dbraw/zinc/63/69/78/1220636978.db2.gz LPOMELKVFBRVQR-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467281 1220636980 /nfs/dbraw/zinc/63/69/80/1220636980.db2.gz LPOMELKVFBRVQR-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467210 1220637061 /nfs/dbraw/zinc/63/70/61/1220637061.db2.gz KMZGYCSRLQUYPR-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467210 1220637063 /nfs/dbraw/zinc/63/70/63/1220637063.db2.gz KMZGYCSRLQUYPR-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468306 1220638819 /nfs/dbraw/zinc/63/88/19/1220638819.db2.gz BRDKNEXCLKUNDX-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468306 1220638821 /nfs/dbraw/zinc/63/88/21/1220638821.db2.gz BRDKNEXCLKUNDX-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001229134525 1225981827 /nfs/dbraw/zinc/98/18/27/1225981827.db2.gz BOYUZPYYHNSQPW-BRWVUGGUSA-N 2 1 366.506 0.394 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513234 1220672312 /nfs/dbraw/zinc/67/23/12/1220672312.db2.gz AXNQDOVGNMEDAH-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513736 1220672572 /nfs/dbraw/zinc/67/25/72/1220672572.db2.gz ZIZFGZNWJJFYJV-HUUCEWRRSA-N 2 1 365.478 0.248 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514245 1220673155 /nfs/dbraw/zinc/67/31/55/1220673155.db2.gz RFVVLUDHHQTQMA-KZNAEPCWSA-N 2 1 365.518 0.962 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102579354 1220701132 /nfs/dbraw/zinc/70/11/32/1220701132.db2.gz TYYFULQTCWAVGD-DJIMGWMZSA-N 2 1 360.462 0.133 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102579354 1220701135 /nfs/dbraw/zinc/70/11/35/1220701135.db2.gz TYYFULQTCWAVGD-DJIMGWMZSA-N 2 1 360.462 0.133 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596560 1220717767 /nfs/dbraw/zinc/71/77/67/1220717767.db2.gz MDZKMXLZRXANIE-HUUCEWRRSA-N 2 1 367.494 0.002 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598977 1220721370 /nfs/dbraw/zinc/72/13/70/1220721370.db2.gz ISGKNRNTZORFNA-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102601298 1220723047 /nfs/dbraw/zinc/72/30/47/1220723047.db2.gz WDKUCGKOYBUKIC-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102601298 1220723056 /nfs/dbraw/zinc/72/30/56/1220723056.db2.gz WDKUCGKOYBUKIC-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102601298 1220723063 /nfs/dbraw/zinc/72/30/63/1220723063.db2.gz WDKUCGKOYBUKIC-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613056 1220731967 /nfs/dbraw/zinc/73/19/67/1220731967.db2.gz JYQVTRONZLGGLK-QRQLOZEOSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613056 1220731972 /nfs/dbraw/zinc/73/19/72/1220731972.db2.gz JYQVTRONZLGGLK-QRQLOZEOSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613056 1220731975 /nfs/dbraw/zinc/73/19/75/1220731975.db2.gz JYQVTRONZLGGLK-QRQLOZEOSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613056 1220731981 /nfs/dbraw/zinc/73/19/81/1220731981.db2.gz JYQVTRONZLGGLK-QRQLOZEOSA-N 2 1 363.502 0.810 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783195 1220781784 /nfs/dbraw/zinc/78/17/84/1220781784.db2.gz YVYGLDOQPKPSGS-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102783195 1220781792 /nfs/dbraw/zinc/78/17/92/1220781792.db2.gz YVYGLDOQPKPSGS-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102783195 1220781797 /nfs/dbraw/zinc/78/17/97/1220781797.db2.gz YVYGLDOQPKPSGS-NXHRZFHOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818717 1220790609 /nfs/dbraw/zinc/79/06/09/1220790609.db2.gz DEQUGTSELHLDPE-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818717 1220790610 /nfs/dbraw/zinc/79/06/10/1220790610.db2.gz DEQUGTSELHLDPE-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102818717 1220790611 /nfs/dbraw/zinc/79/06/11/1220790611.db2.gz DEQUGTSELHLDPE-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102818717 1220790612 /nfs/dbraw/zinc/79/06/12/1220790612.db2.gz DEQUGTSELHLDPE-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102818702 1220792033 /nfs/dbraw/zinc/79/20/33/1220792033.db2.gz CVHNPXYGEYJTNX-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001102818702 1220792038 /nfs/dbraw/zinc/79/20/38/1220792038.db2.gz CVHNPXYGEYJTNX-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001102818702 1220792046 /nfs/dbraw/zinc/79/20/46/1220792046.db2.gz CVHNPXYGEYJTNX-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001102818702 1220792052 /nfs/dbraw/zinc/79/20/52/1220792052.db2.gz CVHNPXYGEYJTNX-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994102 1220817455 /nfs/dbraw/zinc/81/74/55/1220817455.db2.gz PZEXIAFXCFMGKU-DJIMGWMZSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994102 1220817456 /nfs/dbraw/zinc/81/74/56/1220817456.db2.gz PZEXIAFXCFMGKU-DJIMGWMZSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001103005048 1220818778 /nfs/dbraw/zinc/81/87/78/1220818778.db2.gz MVENQDSHZACMLZ-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001103005048 1220818780 /nfs/dbraw/zinc/81/87/80/1220818780.db2.gz MVENQDSHZACMLZ-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001103005048 1220818782 /nfs/dbraw/zinc/81/87/82/1220818782.db2.gz MVENQDSHZACMLZ-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103050217 1220824067 /nfs/dbraw/zinc/82/40/67/1220824067.db2.gz XVOMDMGQKJILRQ-KFWWJZLASA-N 2 1 369.489 0.464 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103050217 1220824068 /nfs/dbraw/zinc/82/40/68/1220824068.db2.gz XVOMDMGQKJILRQ-KFWWJZLASA-N 2 1 369.489 0.464 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103142744 1220839542 /nfs/dbraw/zinc/83/95/42/1220839542.db2.gz AYLZBWOAFTYISE-HZPDHXFCSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148023 1220840308 /nfs/dbraw/zinc/84/03/08/1220840308.db2.gz KVAPLTKVNQHFGU-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148023 1220840309 /nfs/dbraw/zinc/84/03/09/1220840309.db2.gz KVAPLTKVNQHFGU-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148023 1220840310 /nfs/dbraw/zinc/84/03/10/1220840310.db2.gz KVAPLTKVNQHFGU-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162836 1220842142 /nfs/dbraw/zinc/84/21/42/1220842142.db2.gz LXEKNGWSXPXHBX-BZUAXINKSA-N 2 1 361.490 0.856 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375052 1220872895 /nfs/dbraw/zinc/87/28/95/1220872895.db2.gz WQRRENKMMFWJSK-ZIAGYGMSSA-N 2 1 364.494 0.024 20 0 FCADMP CCCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398152 1220877329 /nfs/dbraw/zinc/87/73/29/1220877329.db2.gz FJOIBERZQSWENY-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398152 1220877330 /nfs/dbraw/zinc/87/73/30/1220877330.db2.gz FJOIBERZQSWENY-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536744 1220897013 /nfs/dbraw/zinc/89/70/13/1220897013.db2.gz ANCQTUWEWPJDJO-IAGOWNOFSA-N 2 1 364.494 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536744 1220897016 /nfs/dbraw/zinc/89/70/16/1220897016.db2.gz ANCQTUWEWPJDJO-IAGOWNOFSA-N 2 1 364.494 0.075 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536817 1220897046 /nfs/dbraw/zinc/89/70/46/1220897046.db2.gz DWSABTNTRFBYTH-HZPDHXFCSA-N 2 1 364.494 0.112 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536817 1220897048 /nfs/dbraw/zinc/89/70/48/1220897048.db2.gz DWSABTNTRFBYTH-HZPDHXFCSA-N 2 1 364.494 0.112 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641781 1220924527 /nfs/dbraw/zinc/92/45/27/1220924527.db2.gz CXUNSZFRXHVFJJ-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642107 1220925649 /nfs/dbraw/zinc/92/56/49/1220925649.db2.gz QZLSDTKMBFJTBD-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nn1C ZINC001103641894 1220926061 /nfs/dbraw/zinc/92/60/61/1220926061.db2.gz IPVLDCFNFUXNBA-NVXWUHKLSA-N 2 1 365.522 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646978 1220927489 /nfs/dbraw/zinc/92/74/89/1220927489.db2.gz OAVGQYQDBYTQTG-HZPDHXFCSA-N 2 1 363.506 0.182 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662827 1220932414 /nfs/dbraw/zinc/93/24/14/1220932414.db2.gz TWXQISWREUFZDQ-RBSFLKMASA-N 2 1 369.510 0.376 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662827 1220932419 /nfs/dbraw/zinc/93/24/19/1220932419.db2.gz TWXQISWREUFZDQ-RBSFLKMASA-N 2 1 369.510 0.376 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662827 1220932425 /nfs/dbraw/zinc/93/24/25/1220932425.db2.gz TWXQISWREUFZDQ-RBSFLKMASA-N 2 1 369.510 0.376 20 0 FCADMP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719265 1220951738 /nfs/dbraw/zinc/95/17/38/1220951738.db2.gz WZWCYLCSBAZRMK-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719265 1220951744 /nfs/dbraw/zinc/95/17/44/1220951744.db2.gz WZWCYLCSBAZRMK-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719265 1220951747 /nfs/dbraw/zinc/95/17/47/1220951747.db2.gz WZWCYLCSBAZRMK-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719265 1220951751 /nfs/dbraw/zinc/95/17/51/1220951751.db2.gz WZWCYLCSBAZRMK-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719258 1220952936 /nfs/dbraw/zinc/95/29/36/1220952936.db2.gz WXPKFWXKYHJOQE-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719258 1220952939 /nfs/dbraw/zinc/95/29/39/1220952939.db2.gz WXPKFWXKYHJOQE-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719258 1220952946 /nfs/dbraw/zinc/95/29/46/1220952946.db2.gz WXPKFWXKYHJOQE-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103724726 1220954245 /nfs/dbraw/zinc/95/42/45/1220954245.db2.gz QUBUWOOCCSQBMM-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103724726 1220954248 /nfs/dbraw/zinc/95/42/48/1220954248.db2.gz QUBUWOOCCSQBMM-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742371 1220958061 /nfs/dbraw/zinc/95/80/61/1220958061.db2.gz DGGMGTZBFQLFHB-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742371 1220958066 /nfs/dbraw/zinc/95/80/66/1220958066.db2.gz DGGMGTZBFQLFHB-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742371 1220958070 /nfs/dbraw/zinc/95/80/70/1220958070.db2.gz DGGMGTZBFQLFHB-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103742371 1220958074 /nfs/dbraw/zinc/95/80/74/1220958074.db2.gz DGGMGTZBFQLFHB-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740543 1220959221 /nfs/dbraw/zinc/95/92/21/1220959221.db2.gz LVASKJOHSOBNSR-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740543 1220959223 /nfs/dbraw/zinc/95/92/23/1220959223.db2.gz LVASKJOHSOBNSR-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740543 1220959230 /nfs/dbraw/zinc/95/92/30/1220959230.db2.gz LVASKJOHSOBNSR-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103740543 1220959235 /nfs/dbraw/zinc/95/92/35/1220959235.db2.gz LVASKJOHSOBNSR-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742802 1220960522 /nfs/dbraw/zinc/96/05/22/1220960522.db2.gz WLOFSFRIYQBSHP-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742802 1220960526 /nfs/dbraw/zinc/96/05/26/1220960526.db2.gz WLOFSFRIYQBSHP-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742802 1220960532 /nfs/dbraw/zinc/96/05/32/1220960532.db2.gz WLOFSFRIYQBSHP-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742802 1220960539 /nfs/dbraw/zinc/96/05/39/1220960539.db2.gz WLOFSFRIYQBSHP-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751811 1220964059 /nfs/dbraw/zinc/96/40/59/1220964059.db2.gz SWZQPTPEODBLTD-HZPDHXFCSA-N 2 1 363.510 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751811 1220964060 /nfs/dbraw/zinc/96/40/60/1220964060.db2.gz SWZQPTPEODBLTD-HZPDHXFCSA-N 2 1 363.510 0.660 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658608 1221054927 /nfs/dbraw/zinc/05/49/27/1221054927.db2.gz HUEMPBPLNPYDSN-FCEWJHQRSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658608 1221054928 /nfs/dbraw/zinc/05/49/28/1221054928.db2.gz HUEMPBPLNPYDSN-FCEWJHQRSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658608 1221054929 /nfs/dbraw/zinc/05/49/29/1221054929.db2.gz HUEMPBPLNPYDSN-FCEWJHQRSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658608 1221054930 /nfs/dbraw/zinc/05/49/30/1221054930.db2.gz HUEMPBPLNPYDSN-FCEWJHQRSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658607 1221055795 /nfs/dbraw/zinc/05/57/95/1221055795.db2.gz HUEMPBPLNPYDSN-BXWFABGCSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658607 1221055798 /nfs/dbraw/zinc/05/57/98/1221055798.db2.gz HUEMPBPLNPYDSN-BXWFABGCSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658607 1221055802 /nfs/dbraw/zinc/05/58/02/1221055802.db2.gz HUEMPBPLNPYDSN-BXWFABGCSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658607 1221055807 /nfs/dbraw/zinc/05/58/07/1221055807.db2.gz HUEMPBPLNPYDSN-BXWFABGCSA-N 2 1 365.522 0.759 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111766924 1221097460 /nfs/dbraw/zinc/09/74/60/1221097460.db2.gz IRZFIOBVRWMKOM-BQFCYCMXSA-N 2 1 366.485 0.929 20 0 FCADMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2)C1CCC1 ZINC001111778207 1221103882 /nfs/dbraw/zinc/10/38/82/1221103882.db2.gz OFENJQXBEXPMMP-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2)C1CCC1 ZINC001111778207 1221103886 /nfs/dbraw/zinc/10/38/86/1221103886.db2.gz OFENJQXBEXPMMP-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2)C1CCC1 ZINC001111778207 1221103889 /nfs/dbraw/zinc/10/38/89/1221103889.db2.gz OFENJQXBEXPMMP-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2)C1CCC1 ZINC001111778207 1221103892 /nfs/dbraw/zinc/10/38/92/1221103892.db2.gz OFENJQXBEXPMMP-JXFKEZNVSA-N 2 1 362.518 0.968 20 0 FCADMP CN(CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)c1cc[nH+]cc1 ZINC001111794697 1221112438 /nfs/dbraw/zinc/11/24/38/1221112438.db2.gz FQUDNYXDGIIKES-VPWXQRGCSA-N 2 1 371.485 0.767 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111903949 1221159428 /nfs/dbraw/zinc/15/94/28/1221159428.db2.gz ZERWBNBHGMMQEK-FCEWJHQRSA-N 2 1 359.474 0.831 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111903949 1221159434 /nfs/dbraw/zinc/15/94/34/1221159434.db2.gz ZERWBNBHGMMQEK-FCEWJHQRSA-N 2 1 359.474 0.831 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938307 1221179894 /nfs/dbraw/zinc/17/98/94/1221179894.db2.gz VQPXWWDIKXUSPL-HKUYNNGSSA-N 2 1 363.506 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001111949418 1221182172 /nfs/dbraw/zinc/18/21/72/1221182172.db2.gz DFHRZYWOTMGFMR-KXBFYZLASA-N 2 1 364.490 0.448 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000782874409 1221195664 /nfs/dbraw/zinc/19/56/64/1221195664.db2.gz YKFQODYOTIWZLZ-IBGZPJMESA-N 2 1 361.486 0.982 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000782874409 1221195667 /nfs/dbraw/zinc/19/56/67/1221195667.db2.gz YKFQODYOTIWZLZ-IBGZPJMESA-N 2 1 361.486 0.982 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112396767 1221251933 /nfs/dbraw/zinc/25/19/33/1221251933.db2.gz CPVVYFCUIZDDEW-QRFRQXIXSA-N 2 1 365.518 0.840 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001112396892 1221251994 /nfs/dbraw/zinc/25/19/94/1221251994.db2.gz IXFQFWVUGPDZPX-SCTDSRPQSA-N 2 1 363.506 0.678 20 0 FCADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2)C(N)=O ZINC001112442070 1221260290 /nfs/dbraw/zinc/26/02/90/1221260290.db2.gz IIUUMBHQXBGSHD-VBHSOAQHSA-N 2 1 363.462 0.442 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001229710086 1226029467 /nfs/dbraw/zinc/02/94/67/1226029467.db2.gz LKLAGASWHSEEDV-HUUCEWRRSA-N 2 1 370.473 0.343 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229837802 1226036926 /nfs/dbraw/zinc/03/69/26/1226036926.db2.gz UOCSQHQLCYTZTD-HUUCEWRRSA-N 2 1 367.494 0.287 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001117311821 1221514590 /nfs/dbraw/zinc/51/45/90/1221514590.db2.gz OXONFOVVFRGRHW-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001117359113 1221532018 /nfs/dbraw/zinc/53/20/18/1221532018.db2.gz GKGUAKLXABDKEN-VYDXJSESSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3nnc(C)n3C)CC2)CC1 ZINC001118314289 1221757334 /nfs/dbraw/zinc/75/73/34/1221757334.db2.gz OQYSJCLGDYVSPW-UHFFFAOYSA-N 2 1 362.522 0.979 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C)[NH+]1CCCC1 ZINC001230287106 1226071613 /nfs/dbraw/zinc/07/16/13/1226071613.db2.gz WNQMGEMCUZWJKN-BFYDXBDKSA-N 2 1 363.510 0.848 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230335417 1226074473 /nfs/dbraw/zinc/07/44/73/1226074473.db2.gz ZUDLSIZHPZXCOD-HZPDHXFCSA-N 2 1 363.510 0.993 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001230284462 1226071754 /nfs/dbraw/zinc/07/17/54/1226071754.db2.gz GIRCSPCXNULVPJ-GVDBMIGSSA-N 2 1 368.522 0.327 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001230284561 1226072060 /nfs/dbraw/zinc/07/20/60/1226072060.db2.gz KXHVQVKEUBVVME-BRWVUGGUSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356449 1221905186 /nfs/dbraw/zinc/90/51/86/1221905186.db2.gz HBCZECOCUNXMNE-BGTYHANMSA-N 2 1 358.486 0.867 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001119407235 1221912965 /nfs/dbraw/zinc/91/29/65/1221912965.db2.gz GUBDWTUIFBDHEC-LESCRADOSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001119407235 1221912968 /nfs/dbraw/zinc/91/29/68/1221912968.db2.gz GUBDWTUIFBDHEC-LESCRADOSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119425635 1221915998 /nfs/dbraw/zinc/91/59/98/1221915998.db2.gz ZVEQNIJHMYCIQK-FUHWJXTLSA-N 2 1 367.538 0.552 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001120395234 1222077461 /nfs/dbraw/zinc/07/74/61/1222077461.db2.gz QXHZBSKKQGSFDW-INIZCTEOSA-N 2 1 373.501 0.967 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)C3)c2)CC1 ZINC001121025080 1222140501 /nfs/dbraw/zinc/14/05/01/1222140501.db2.gz RNJDGFMPLHAPFX-INIZCTEOSA-N 2 1 359.474 0.587 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001121981076 1222229149 /nfs/dbraw/zinc/22/91/49/1222229149.db2.gz GTYXVLOIRFUKKV-IBGZPJMESA-N 2 1 360.502 0.863 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001122137012 1222243905 /nfs/dbraw/zinc/24/39/05/1222243905.db2.gz UAAIRCKKJUKIPB-BRWVUGGUSA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001122137012 1222243911 /nfs/dbraw/zinc/24/39/11/1222243911.db2.gz UAAIRCKKJUKIPB-BRWVUGGUSA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001122137012 1222243913 /nfs/dbraw/zinc/24/39/13/1222243913.db2.gz UAAIRCKKJUKIPB-BRWVUGGUSA-N 3 1 367.538 0.295 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001123759865 1222356405 /nfs/dbraw/zinc/35/64/05/1222356405.db2.gz HKWHWTCMMDXRCA-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001123759865 1222356411 /nfs/dbraw/zinc/35/64/11/1222356411.db2.gz HKWHWTCMMDXRCA-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825897 1222360140 /nfs/dbraw/zinc/36/01/40/1222360140.db2.gz WGZDUGXFRUNCMY-YOEHRIQHSA-N 2 1 359.474 0.305 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825896 1222360689 /nfs/dbraw/zinc/36/06/89/1222360689.db2.gz WGZDUGXFRUNCMY-WMLDXEAASA-N 2 1 359.474 0.305 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(F)nc1)CC2 ZINC001137737957 1222427348 /nfs/dbraw/zinc/42/73/48/1222427348.db2.gz GPXJJVQUWIOUGU-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2ccc(N3CCOCC3)nc2)CCC1=O ZINC001139434557 1222550254 /nfs/dbraw/zinc/55/02/54/1222550254.db2.gz FDCRECDUYBGQPS-UHFFFAOYSA-N 2 1 361.490 0.514 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(N3CCOCC3)nc2)CCC1=O ZINC001139434557 1222550258 /nfs/dbraw/zinc/55/02/58/1222550258.db2.gz FDCRECDUYBGQPS-UHFFFAOYSA-N 2 1 361.490 0.514 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@@H]1C ZINC000834711455 1222586431 /nfs/dbraw/zinc/58/64/31/1222586431.db2.gz RNQOVLUYAWFBIE-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@@H]1C ZINC000834711455 1222586434 /nfs/dbraw/zinc/58/64/34/1222586434.db2.gz RNQOVLUYAWFBIE-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC000834711455 1222586438 /nfs/dbraw/zinc/58/64/38/1222586438.db2.gz RNQOVLUYAWFBIE-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC000834711455 1222586441 /nfs/dbraw/zinc/58/64/41/1222586441.db2.gz RNQOVLUYAWFBIE-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C ZINC000834834854 1222592234 /nfs/dbraw/zinc/59/22/34/1222592234.db2.gz MXUFMXCHMJEEPB-XHSDSOJGSA-N 2 1 366.506 0.321 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C ZINC000834834854 1222592238 /nfs/dbraw/zinc/59/22/38/1222592238.db2.gz MXUFMXCHMJEEPB-XHSDSOJGSA-N 2 1 366.506 0.321 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C ZINC000834834854 1222592239 /nfs/dbraw/zinc/59/22/39/1222592239.db2.gz MXUFMXCHMJEEPB-XHSDSOJGSA-N 2 1 366.506 0.321 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000834834854 1222592242 /nfs/dbraw/zinc/59/22/42/1222592242.db2.gz MXUFMXCHMJEEPB-XHSDSOJGSA-N 2 1 366.506 0.321 20 0 FCADMP COCc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001277662326 1226150798 /nfs/dbraw/zinc/15/07/98/1226150798.db2.gz PBOHNAZHWRXGPD-LJQANCHMSA-N 2 1 362.474 0.593 20 0 FCADMP COCc1cccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001277662326 1226150801 /nfs/dbraw/zinc/15/08/01/1226150801.db2.gz PBOHNAZHWRXGPD-LJQANCHMSA-N 2 1 362.474 0.593 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000841208009 1222813907 /nfs/dbraw/zinc/81/39/07/1222813907.db2.gz WOQRTMQUNLZTJK-HOTGVXAUSA-N 2 1 373.501 0.976 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841287660 1222817978 /nfs/dbraw/zinc/81/79/78/1222817978.db2.gz HSCIIVGXHYWJEL-CQSZACIVSA-N 2 1 363.462 0.733 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191012 1222839585 /nfs/dbraw/zinc/83/95/85/1222839585.db2.gz VUDYNCJNFIEOIX-YLJYHZDGSA-N 2 1 358.486 0.883 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000842201036 1222840445 /nfs/dbraw/zinc/84/04/45/1222840445.db2.gz GOWQZSLUFIOYQO-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000842215466 1222842793 /nfs/dbraw/zinc/84/27/93/1222842793.db2.gz VAKVCXKRTWPCOY-GOSISDBHSA-N 2 1 358.486 0.937 20 0 FCADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843057869 1222858079 /nfs/dbraw/zinc/85/80/79/1222858079.db2.gz NAALLSBNBJYCAJ-WMZOPIPTSA-N 2 1 374.485 0.631 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc4nonc43)CC[C@@H]2C1 ZINC001203130971 1222859891 /nfs/dbraw/zinc/85/98/91/1222859891.db2.gz ZWDMVFNCNQRUMI-RHSMWYFYSA-N 2 1 373.457 0.834 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc4nonc43)CC[C@@H]2C1 ZINC001203130971 1222859893 /nfs/dbraw/zinc/85/98/93/1222859893.db2.gz ZWDMVFNCNQRUMI-RHSMWYFYSA-N 2 1 373.457 0.834 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc4nonc43)CC[C@@H]2C1 ZINC001203130971 1222859896 /nfs/dbraw/zinc/85/98/96/1222859896.db2.gz ZWDMVFNCNQRUMI-RHSMWYFYSA-N 2 1 373.457 0.834 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000843253425 1222865495 /nfs/dbraw/zinc/86/54/95/1222865495.db2.gz PHIHNDRRTYPBFO-IXDOHACOSA-N 2 1 368.522 0.495 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000843253425 1222865497 /nfs/dbraw/zinc/86/54/97/1222865497.db2.gz PHIHNDRRTYPBFO-IXDOHACOSA-N 2 1 368.522 0.495 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000843253425 1222865501 /nfs/dbraw/zinc/86/55/01/1222865501.db2.gz PHIHNDRRTYPBFO-IXDOHACOSA-N 2 1 368.522 0.495 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000843253425 1222865504 /nfs/dbraw/zinc/86/55/04/1222865504.db2.gz PHIHNDRRTYPBFO-IXDOHACOSA-N 2 1 368.522 0.495 20 0 FCADMP Cc1nc(N)ccc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277693569 1226159535 /nfs/dbraw/zinc/15/95/35/1226159535.db2.gz BFTZHYNVWPFGPS-LJQANCHMSA-N 2 1 359.474 0.875 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843261927 1222867758 /nfs/dbraw/zinc/86/77/58/1222867758.db2.gz OEVGTAHHDVUYSZ-UHFFFAOYSA-N 2 1 358.446 0.827 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)C2=O ZINC000843353807 1222872185 /nfs/dbraw/zinc/87/21/85/1222872185.db2.gz KWLUTPROULBZME-UHFFFAOYSA-N 2 1 365.478 0.720 20 0 FCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CCC([NH3+])CC1 ZINC000843353867 1222872375 /nfs/dbraw/zinc/87/23/75/1222872375.db2.gz NXPAGRVMEHPETK-UHFFFAOYSA-N 2 1 365.478 0.864 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354335 1222872663 /nfs/dbraw/zinc/87/26/63/1222872663.db2.gz ZCCHPXFJMZLRAS-ZIAGYGMSSA-N 2 1 365.478 0.722 20 0 FCADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843368331 1222873497 /nfs/dbraw/zinc/87/34/97/1222873497.db2.gz QSPFTYHYILPTDM-KRWDZBQOSA-N 2 1 363.462 0.348 20 0 FCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000843361608 1222873803 /nfs/dbraw/zinc/87/38/03/1222873803.db2.gz HSPOXTHLVIDTEV-MQVJKMGUSA-N 2 1 360.458 0.908 20 0 FCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000843361608 1222873806 /nfs/dbraw/zinc/87/38/06/1222873806.db2.gz HSPOXTHLVIDTEV-MQVJKMGUSA-N 2 1 360.458 0.908 20 0 FCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843384846 1222874640 /nfs/dbraw/zinc/87/46/40/1222874640.db2.gz CMSFUDGMRKJBHC-AWEZNQCLSA-N 2 1 365.478 0.866 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC([NH+](C)C)C3)cn21 ZINC001150389747 1222899671 /nfs/dbraw/zinc/89/96/71/1222899671.db2.gz OGRFBTUTMJRXMN-HNNXBMFYSA-N 2 1 357.462 0.034 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC([NH+](C)C)C3)cn21 ZINC001150389747 1222899672 /nfs/dbraw/zinc/89/96/72/1222899672.db2.gz OGRFBTUTMJRXMN-HNNXBMFYSA-N 2 1 357.462 0.034 20 0 FCADMP C(C[C@@H]1CCOC12C[NH2+]C2)Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001155479440 1223035912 /nfs/dbraw/zinc/03/59/12/1223035912.db2.gz WYKBWXQDPJANHO-CYBMUJFWSA-N 2 1 360.462 0.097 20 0 FCADMP C1C[C@@]2(C[NH2+]1)C[C@@H](Nc1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCO2 ZINC001155625723 1223040265 /nfs/dbraw/zinc/04/02/65/1223040265.db2.gz NASOMWWBYCTAMP-UGSOOPFHSA-N 2 1 360.462 0.239 20 0 FCADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)n[nH]1 ZINC001157440395 1223076856 /nfs/dbraw/zinc/07/68/56/1223076856.db2.gz VIFMMAYPEXCIGR-SCLBCKFNSA-N 2 1 353.430 0.671 20 0 FCADMP Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001158282135 1223093816 /nfs/dbraw/zinc/09/38/16/1223093816.db2.gz LOZHEQBOHJFRTE-WBVHZDCISA-N 2 1 365.478 0.721 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001158411332 1223096865 /nfs/dbraw/zinc/09/68/65/1223096865.db2.gz CQQFFSWDEMGPPT-DLBZAZTESA-N 2 1 371.489 0.989 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@H+]1C ZINC001158428564 1223097405 /nfs/dbraw/zinc/09/74/05/1223097405.db2.gz JIHPWWXKFADRMI-HZPDHXFCSA-N 2 1 371.485 0.833 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421223 1223097565 /nfs/dbraw/zinc/09/75/65/1223097565.db2.gz CZUBFDIYVDOKOL-MLHJIOFPSA-N 2 1 357.454 0.870 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001158479625 1223099155 /nfs/dbraw/zinc/09/91/55/1223099155.db2.gz NWQOCJQAZBPTSX-YZVOILCLSA-N 2 1 365.474 0.146 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569299 1223102175 /nfs/dbraw/zinc/10/21/75/1223102175.db2.gz XRMHLCQLVOKCSI-QYZOEREBSA-N 2 1 354.498 0.918 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158976044 1223114716 /nfs/dbraw/zinc/11/47/16/1223114716.db2.gz BKFMGVQSVRPYLO-GOSISDBHSA-N 3 1 363.550 0.604 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158976044 1223114721 /nfs/dbraw/zinc/11/47/21/1223114721.db2.gz BKFMGVQSVRPYLO-GOSISDBHSA-N 2 1 363.550 0.604 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158976044 1223114725 /nfs/dbraw/zinc/11/47/25/1223114725.db2.gz BKFMGVQSVRPYLO-GOSISDBHSA-N 2 1 363.550 0.604 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160206 1223119689 /nfs/dbraw/zinc/11/96/89/1223119689.db2.gz FKRVIAFXYZKRRU-INIZCTEOSA-N 2 1 357.462 0.157 20 0 FCADMP CO[C@@H]1CCN(C(=O)[C@]2(N)CCC[NH2+]C2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316383 1223123987 /nfs/dbraw/zinc/12/39/87/1223123987.db2.gz GKMWUJOPDDSOOO-XFKSJGNHSA-N 2 1 373.501 0.210 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)CC[C@@H]21 ZINC001159533815 1223129113 /nfs/dbraw/zinc/12/91/13/1223129113.db2.gz JRAVKWYXGIKKHW-VUHPKUFZSA-N 2 1 360.506 0.274 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)[C@H]2C ZINC001159634589 1223131814 /nfs/dbraw/zinc/13/18/14/1223131814.db2.gz ZUHDHWHQTYWVMD-HOCLYGCPSA-N 3 1 360.506 0.436 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159695818 1223133867 /nfs/dbraw/zinc/13/38/67/1223133867.db2.gz BYVQCTWMOSOFMG-GOSISDBHSA-N 2 1 370.497 0.850 20 0 FCADMP N[C@]1(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CCC[NH2+]C1 ZINC001159854824 1223138365 /nfs/dbraw/zinc/13/83/65/1223138365.db2.gz GCDJHNLIGNTBSU-KVSKMBFKSA-N 2 1 362.449 0.571 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853185 1223138390 /nfs/dbraw/zinc/13/83/90/1223138390.db2.gz ALFBTYUELNABKH-NJAFHUGGSA-N 3 1 374.460 0.299 20 0 FCADMP CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]2C1=O ZINC001159887999 1223138684 /nfs/dbraw/zinc/13/86/84/1223138684.db2.gz ZKOGPPFYRSAWAJ-SQNIBIBYSA-N 2 1 368.481 0.255 20 0 FCADMP CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]2C1=O ZINC001159887999 1223138686 /nfs/dbraw/zinc/13/86/86/1223138686.db2.gz ZKOGPPFYRSAWAJ-SQNIBIBYSA-N 2 1 368.481 0.255 20 0 FCADMP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160054038 1223143604 /nfs/dbraw/zinc/14/36/04/1223143604.db2.gz WNFWVCLKQLWBPF-WIYYLYMNSA-N 2 1 369.513 0.848 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001160078624 1223144254 /nfs/dbraw/zinc/14/42/54/1223144254.db2.gz XAGNAPLLOVKMHF-XJKSGUPXSA-N 2 1 371.407 0.961 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001160169596 1223147169 /nfs/dbraw/zinc/14/71/69/1223147169.db2.gz WDARLYSGRZFTKU-LSDHHAIUSA-N 2 1 365.478 0.050 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001160169596 1223147173 /nfs/dbraw/zinc/14/71/73/1223147173.db2.gz WDARLYSGRZFTKU-LSDHHAIUSA-N 2 1 365.478 0.050 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001160169596 1223147178 /nfs/dbraw/zinc/14/71/78/1223147178.db2.gz WDARLYSGRZFTKU-LSDHHAIUSA-N 2 1 365.478 0.050 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001160169596 1223147183 /nfs/dbraw/zinc/14/71/83/1223147183.db2.gz WDARLYSGRZFTKU-LSDHHAIUSA-N 2 1 365.478 0.050 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001160169596 1223147185 /nfs/dbraw/zinc/14/71/85/1223147185.db2.gz WDARLYSGRZFTKU-LSDHHAIUSA-N 2 1 365.478 0.050 20 0 FCADMP O=C([C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157023 1223147457 /nfs/dbraw/zinc/14/74/57/1223147457.db2.gz SRRCNSYKFMAYQZ-XSYGEPLQSA-N 2 1 363.502 0.857 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175445 1223148446 /nfs/dbraw/zinc/14/84/46/1223148446.db2.gz RPAKOQDCYJAWKG-UMVBOHGHSA-N 2 1 365.478 0.048 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175445 1223148447 /nfs/dbraw/zinc/14/84/47/1223148447.db2.gz RPAKOQDCYJAWKG-UMVBOHGHSA-N 2 1 365.478 0.048 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175445 1223148449 /nfs/dbraw/zinc/14/84/49/1223148449.db2.gz RPAKOQDCYJAWKG-UMVBOHGHSA-N 2 1 365.478 0.048 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160309849 1223153948 /nfs/dbraw/zinc/15/39/48/1223153948.db2.gz BZPVAWCGMDJTTR-UGSOOPFHSA-N 2 1 360.414 0.047 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001160422500 1223159032 /nfs/dbraw/zinc/15/90/32/1223159032.db2.gz HACXNTPTRZZKGT-WSIUPNEHSA-N 2 1 358.486 0.863 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C[C@@H]21 ZINC001160423936 1223159098 /nfs/dbraw/zinc/15/90/98/1223159098.db2.gz NYOXWQZPBUEWJS-FTWQHDNSSA-N 2 1 358.486 0.721 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@H]21 ZINC001160424481 1223159126 /nfs/dbraw/zinc/15/91/26/1223159126.db2.gz VAULNAONMSXBRE-UIXUWTQFSA-N 2 1 357.502 0.831 20 0 FCADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001160538943 1223163712 /nfs/dbraw/zinc/16/37/12/1223163712.db2.gz LIFREZFLVMIENU-UONOGXRCSA-N 2 1 351.414 0.874 20 0 FCADMP FC(F)(F)[C@H]1C[NH2+]CC[C@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160742985 1223170367 /nfs/dbraw/zinc/17/03/67/1223170367.db2.gz KYCYXJTUCLVCAG-NWDGAFQWSA-N 2 1 372.395 0.869 20 0 FCADMP CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)cc1 ZINC001161098609 1223186122 /nfs/dbraw/zinc/18/61/22/1223186122.db2.gz RFELANRDKPGRPA-INIZCTEOSA-N 2 1 362.474 0.967 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001161196814 1223189089 /nfs/dbraw/zinc/18/90/89/1223189089.db2.gz SGBIXSOLKXGZLL-QUCCMNQESA-N 3 1 364.534 0.537 20 0 FCADMP Cn1cc(N)nc1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161201735 1223189928 /nfs/dbraw/zinc/18/99/28/1223189928.db2.gz RJPVDHHZWJJRLY-UHFFFAOYSA-N 2 1 364.494 0.166 20 0 FCADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378270 1223197044 /nfs/dbraw/zinc/19/70/44/1223197044.db2.gz LKYYCVYRZWIOHA-JKSUJKDBSA-N 3 1 368.522 0.850 20 0 FCADMP COC(=O)c1ccc(C[NH3+])n1-c1nc(N2CCOCC2)[nH+]c2c1CCN2 ZINC001161934477 1223208913 /nfs/dbraw/zinc/20/89/13/1223208913.db2.gz STJLLPGELSSDHP-UHFFFAOYSA-N 2 1 358.402 0.317 20 0 FCADMP O=S1(=O)CCN(c2cc[nH+]c(CNc3ncnc4c3CC[NH2+]C4)c2)CC1 ZINC001162066004 1223210186 /nfs/dbraw/zinc/21/01/86/1223210186.db2.gz STINRDZPBNWHAY-UHFFFAOYSA-N 2 1 374.470 0.364 20 0 FCADMP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001162283385 1223212784 /nfs/dbraw/zinc/21/27/84/1223212784.db2.gz YXRORJUYGGRVSU-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283019 1223213051 /nfs/dbraw/zinc/21/30/51/1223213051.db2.gz FXFPEHLIBRNFRR-OWCLPIDISA-N 2 1 368.522 0.306 20 0 FCADMP c1cc2c(nc(N3CCOCC3)[nH+]c2NCC[C@H]2CCOC23C[NH2+]C3)[nH]1 ZINC001163081332 1223225369 /nfs/dbraw/zinc/22/53/69/1223225369.db2.gz MRYOQVVNIWZURX-ZDUSSCGKSA-N 2 1 358.446 0.927 20 0 FCADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163163723 1223227914 /nfs/dbraw/zinc/22/79/14/1223227914.db2.gz LCKLYMWYQDIQSC-BRWVUGGUSA-N 3 1 360.506 0.997 20 0 FCADMP CCOC(=O)CC1([NH3+])CCN(c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001163530821 1223231926 /nfs/dbraw/zinc/23/19/26/1223231926.db2.gz JNNCFORYXVBUQD-UHFFFAOYSA-N 2 1 362.478 0.479 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001164578776 1223240262 /nfs/dbraw/zinc/24/02/62/1223240262.db2.gz QUQUQSBELUUSPH-UONOGXRCSA-N 2 1 364.494 0.215 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001164582362 1223240348 /nfs/dbraw/zinc/24/03/48/1223240348.db2.gz JFZKAQJHJJACJD-OWCLPIDISA-N 2 1 360.506 0.982 20 0 FCADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165112353 1223242280 /nfs/dbraw/zinc/24/22/80/1223242280.db2.gz ZLPJHNBUQHQUPH-KRWDZBQOSA-N 2 1 360.506 0.966 20 0 FCADMP CCn1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001165727987 1223255228 /nfs/dbraw/zinc/25/52/28/1223255228.db2.gz LECSPYDSHXGURH-GDBMZVCRSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001165727987 1223255233 /nfs/dbraw/zinc/25/52/33/1223255233.db2.gz LECSPYDSHXGURH-GDBMZVCRSA-N 2 1 364.494 0.393 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001205212258 1223316973 /nfs/dbraw/zinc/31/69/73/1223316973.db2.gz RVIYUKXNRFWIQC-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001205212258 1223316976 /nfs/dbraw/zinc/31/69/76/1223316976.db2.gz RVIYUKXNRFWIQC-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001205212258 1223316979 /nfs/dbraw/zinc/31/69/79/1223316979.db2.gz RVIYUKXNRFWIQC-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205325727 1223320194 /nfs/dbraw/zinc/32/01/94/1223320194.db2.gz FQICYPIWDLBUQH-DLBZAZTESA-N 2 1 364.465 0.925 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+]([C@@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513567 1223329851 /nfs/dbraw/zinc/32/98/51/1223329851.db2.gz OQXCOWLPYHRHNS-HRCADAONSA-N 2 1 366.506 0.141 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001205572115 1223332076 /nfs/dbraw/zinc/33/20/76/1223332076.db2.gz CQCHNJGNVZWAKI-UAGQMJEPSA-N 2 1 362.449 0.550 20 0 FCADMP C[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739893 1223368388 /nfs/dbraw/zinc/36/83/88/1223368388.db2.gz VKAFCRRVWGYCFH-ZACQAIPSSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739893 1223368391 /nfs/dbraw/zinc/36/83/91/1223368391.db2.gz VKAFCRRVWGYCFH-ZACQAIPSSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001206739893 1223368393 /nfs/dbraw/zinc/36/83/93/1223368393.db2.gz VKAFCRRVWGYCFH-ZACQAIPSSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001206739893 1223368396 /nfs/dbraw/zinc/36/83/96/1223368396.db2.gz VKAFCRRVWGYCFH-ZACQAIPSSA-N 2 1 364.494 0.216 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccncc1F)CC2 ZINC001206784147 1223370483 /nfs/dbraw/zinc/37/04/83/1223370483.db2.gz DBMZFYRVNRNFJC-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccncc3F)CC2)C1=O ZINC001206784147 1223370486 /nfs/dbraw/zinc/37/04/86/1223370486.db2.gz DBMZFYRVNRNFJC-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccncc3F)CC2)C1=O ZINC001206784147 1223370489 /nfs/dbraw/zinc/37/04/89/1223370489.db2.gz DBMZFYRVNRNFJC-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCNC(C)=O)C[C@H]2C)CC[N@H+]1C ZINC001207001361 1223403414 /nfs/dbraw/zinc/40/34/14/1223403414.db2.gz VIYSPJZNFXKJCZ-BZZMCLGOSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]2C)CC[NH+]1C ZINC001207001361 1223403419 /nfs/dbraw/zinc/40/34/19/1223403419.db2.gz VIYSPJZNFXKJCZ-BZZMCLGOSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]2C)CC[NH+]1C ZINC001207001361 1223403423 /nfs/dbraw/zinc/40/34/23/1223403423.db2.gz VIYSPJZNFXKJCZ-BZZMCLGOSA-N 2 1 368.522 0.306 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337671 1223438726 /nfs/dbraw/zinc/43/87/26/1223438726.db2.gz UIXPDAFRFUDYKU-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337671 1223438727 /nfs/dbraw/zinc/43/87/27/1223438727.db2.gz UIXPDAFRFUDYKU-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337671 1223438729 /nfs/dbraw/zinc/43/87/29/1223438729.db2.gz UIXPDAFRFUDYKU-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207483174 1223449520 /nfs/dbraw/zinc/44/95/20/1223449520.db2.gz UNIGQADWNKISIM-RTBURBONSA-N 3 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207483174 1223449522 /nfs/dbraw/zinc/44/95/22/1223449522.db2.gz UNIGQADWNKISIM-RTBURBONSA-N 3 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207483174 1223449527 /nfs/dbraw/zinc/44/95/27/1223449527.db2.gz UNIGQADWNKISIM-RTBURBONSA-N 3 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](CCC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207483174 1223449530 /nfs/dbraw/zinc/44/95/30/1223449530.db2.gz UNIGQADWNKISIM-RTBURBONSA-N 2 1 366.550 0.829 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](CCC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001207483174 1223449535 /nfs/dbraw/zinc/44/95/35/1223449535.db2.gz UNIGQADWNKISIM-RTBURBONSA-N 2 1 366.550 0.829 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784095 1223479386 /nfs/dbraw/zinc/47/93/86/1223479386.db2.gz FBDXGIHIMSOICH-HLLBOEOZSA-N 2 1 361.490 0.821 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784451 1223479504 /nfs/dbraw/zinc/47/95/04/1223479504.db2.gz KSFCZDUTPGGIIL-NVXWUHKLSA-N 2 1 357.462 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001208070068 1223513333 /nfs/dbraw/zinc/51/33/33/1223513333.db2.gz CHLJTENEHWUACK-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208128819 1223518085 /nfs/dbraw/zinc/51/80/85/1223518085.db2.gz IQKGISWKOYBBEQ-UKRRQHHQSA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208128819 1223518089 /nfs/dbraw/zinc/51/80/89/1223518089.db2.gz IQKGISWKOYBBEQ-UKRRQHHQSA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001208128819 1223518092 /nfs/dbraw/zinc/51/80/92/1223518092.db2.gz IQKGISWKOYBBEQ-UKRRQHHQSA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001208128819 1223518094 /nfs/dbraw/zinc/51/80/94/1223518094.db2.gz IQKGISWKOYBBEQ-UKRRQHHQSA-N 2 1 367.494 0.272 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281429 1223530621 /nfs/dbraw/zinc/53/06/21/1223530621.db2.gz IAFMIONQWYIIGA-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412805 1223541748 /nfs/dbraw/zinc/54/17/48/1223541748.db2.gz NMUWRKVQLLQAQN-MXSMSXNCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412805 1223541754 /nfs/dbraw/zinc/54/17/54/1223541754.db2.gz NMUWRKVQLLQAQN-MXSMSXNCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412805 1223541759 /nfs/dbraw/zinc/54/17/59/1223541759.db2.gz NMUWRKVQLLQAQN-MXSMSXNCSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441715 1223546154 /nfs/dbraw/zinc/54/61/54/1223546154.db2.gz NONDYVXEEUPBJO-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441715 1223546161 /nfs/dbraw/zinc/54/61/61/1223546161.db2.gz NONDYVXEEUPBJO-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495858 1223550979 /nfs/dbraw/zinc/55/09/79/1223550979.db2.gz AMEWKWMZTWMFIU-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP Cc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495858 1223550982 /nfs/dbraw/zinc/55/09/82/1223550982.db2.gz AMEWKWMZTWMFIU-SJLPKXTDSA-N 2 1 360.502 0.999 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496529 1223552214 /nfs/dbraw/zinc/55/22/14/1223552214.db2.gz XQEKKZKPNFXYDD-NVXWUHKLSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496529 1223552221 /nfs/dbraw/zinc/55/22/21/1223552221.db2.gz XQEKKZKPNFXYDD-NVXWUHKLSA-N 2 1 358.486 0.964 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612428 1223563309 /nfs/dbraw/zinc/56/33/09/1223563309.db2.gz IANPSBZZRIKICL-MANSERQUSA-N 2 1 365.518 0.772 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612428 1223563313 /nfs/dbraw/zinc/56/33/13/1223563313.db2.gz IANPSBZZRIKICL-MANSERQUSA-N 2 1 365.518 0.772 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612428 1223563317 /nfs/dbraw/zinc/56/33/17/1223563317.db2.gz IANPSBZZRIKICL-MANSERQUSA-N 2 1 365.518 0.772 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738949 1223574555 /nfs/dbraw/zinc/57/45/55/1223574555.db2.gz MEGIDMVNGQAFOD-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738949 1223574560 /nfs/dbraw/zinc/57/45/60/1223574560.db2.gz MEGIDMVNGQAFOD-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738948 1223574795 /nfs/dbraw/zinc/57/47/95/1223574795.db2.gz MEGIDMVNGQAFOD-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738948 1223574798 /nfs/dbraw/zinc/57/47/98/1223574798.db2.gz MEGIDMVNGQAFOD-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cnoc2)CC1 ZINC001276636970 1223613965 /nfs/dbraw/zinc/61/39/65/1223613965.db2.gz UXQQVGATCJNZGL-QZTJIDSGSA-N 2 1 361.490 0.877 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478705 1223623746 /nfs/dbraw/zinc/62/37/46/1223623746.db2.gz YKHYNMDQFVOSQQ-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001209642205 1223636147 /nfs/dbraw/zinc/63/61/47/1223636147.db2.gz DEYUOLDLNFTDAH-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001209642205 1223636152 /nfs/dbraw/zinc/63/61/52/1223636152.db2.gz DEYUOLDLNFTDAH-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001276669961 1223643802 /nfs/dbraw/zinc/64/38/02/1223643802.db2.gz DBWCKNYWTOPAAR-SFHVURJKSA-N 2 1 363.462 0.269 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836980 1223652787 /nfs/dbraw/zinc/65/27/87/1223652787.db2.gz TVGQVQGMGJCSLK-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836980 1223652791 /nfs/dbraw/zinc/65/27/91/1223652791.db2.gz TVGQVQGMGJCSLK-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](O)Cn1cnc2c1ncnc2Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262469 1223679719 /nfs/dbraw/zinc/67/97/19/1223679719.db2.gz GPOQCIIJDXSOFW-GFCCVEGCSA-N 2 1 354.418 0.755 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539045 1223696423 /nfs/dbraw/zinc/69/64/23/1223696423.db2.gz VFTPPPVIELCLIU-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539045 1223696427 /nfs/dbraw/zinc/69/64/27/1223696427.db2.gz VFTPPPVIELCLIU-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539045 1223696429 /nfs/dbraw/zinc/69/64/29/1223696429.db2.gz VFTPPPVIELCLIU-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539045 1223696432 /nfs/dbraw/zinc/69/64/32/1223696432.db2.gz VFTPPPVIELCLIU-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538765 1223696482 /nfs/dbraw/zinc/69/64/82/1223696482.db2.gz MMEJMJVVEHVYBQ-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538765 1223696486 /nfs/dbraw/zinc/69/64/86/1223696486.db2.gz MMEJMJVVEHVYBQ-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538765 1223696488 /nfs/dbraw/zinc/69/64/88/1223696488.db2.gz MMEJMJVVEHVYBQ-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001210538765 1223696491 /nfs/dbraw/zinc/69/64/91/1223696491.db2.gz MMEJMJVVEHVYBQ-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343908 1223736383 /nfs/dbraw/zinc/73/63/83/1223736383.db2.gz SAUOYKPIXHXJLE-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343908 1223736387 /nfs/dbraw/zinc/73/63/87/1223736387.db2.gz SAUOYKPIXHXJLE-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCCn1ccnc1 ZINC001211432957 1223741085 /nfs/dbraw/zinc/74/10/85/1223741085.db2.gz AHQUGDJSMXQVKR-NVXWUHKLSA-N 2 1 361.490 0.968 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444330 1223742888 /nfs/dbraw/zinc/74/28/88/1223742888.db2.gz VHHUUHMRRYZBLY-RBSFLKMASA-N 2 1 367.494 0.272 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444330 1223742889 /nfs/dbraw/zinc/74/28/89/1223742889.db2.gz VHHUUHMRRYZBLY-RBSFLKMASA-N 2 1 367.494 0.272 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192608 1223765542 /nfs/dbraw/zinc/76/55/42/1223765542.db2.gz TUIUMBBURSJANK-CBYDULDESA-N 2 1 367.490 0.092 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192608 1223765545 /nfs/dbraw/zinc/76/55/45/1223765545.db2.gz TUIUMBBURSJANK-CBYDULDESA-N 2 1 367.490 0.092 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192608 1223765548 /nfs/dbraw/zinc/76/55/48/1223765548.db2.gz TUIUMBBURSJANK-CBYDULDESA-N 2 1 367.490 0.092 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213189930 1223765695 /nfs/dbraw/zinc/76/56/95/1223765695.db2.gz JLRIJWFLDJYITF-CBYDULDESA-N 2 1 369.481 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCF)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001213189930 1223765696 /nfs/dbraw/zinc/76/56/96/1223765696.db2.gz JLRIJWFLDJYITF-CBYDULDESA-N 2 1 369.481 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCF)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001213189930 1223765697 /nfs/dbraw/zinc/76/56/97/1223765697.db2.gz JLRIJWFLDJYITF-CBYDULDESA-N 2 1 369.481 0.805 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369604 1223791098 /nfs/dbraw/zinc/79/10/98/1223791098.db2.gz YEFMEOPZDQJJGV-RCCFBDPRSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369548 1223791121 /nfs/dbraw/zinc/79/11/21/1223791121.db2.gz VHOXHYWXQXAEDQ-RCCFBDPRSA-N 2 1 369.506 0.339 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369363 1223791391 /nfs/dbraw/zinc/79/13/91/1223791391.db2.gz PPHVHKHNQOBLFM-USXIJHARSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369363 1223791393 /nfs/dbraw/zinc/79/13/93/1223791393.db2.gz PPHVHKHNQOBLFM-USXIJHARSA-N 2 1 368.522 0.401 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001213442116 1223799313 /nfs/dbraw/zinc/79/93/13/1223799313.db2.gz MXANNAHKXDPAKP-IAGOWNOFSA-N 2 1 366.462 0.736 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001213442116 1223799315 /nfs/dbraw/zinc/79/93/15/1223799315.db2.gz MXANNAHKXDPAKP-IAGOWNOFSA-N 2 1 366.462 0.736 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526834 1223809810 /nfs/dbraw/zinc/80/98/10/1223809810.db2.gz XCWDZGPFHGVDLT-BRWVUGGUSA-N 2 1 368.522 0.578 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526834 1223809811 /nfs/dbraw/zinc/80/98/11/1223809811.db2.gz XCWDZGPFHGVDLT-BRWVUGGUSA-N 2 1 368.522 0.578 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC)C(C)C ZINC001213593261 1223819726 /nfs/dbraw/zinc/81/97/26/1223819726.db2.gz RBXNCVUJRRSINS-ZACQAIPSSA-N 2 1 366.510 0.460 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC)C(C)C ZINC001213593261 1223819729 /nfs/dbraw/zinc/81/97/29/1223819729.db2.gz RBXNCVUJRRSINS-ZACQAIPSSA-N 2 1 366.510 0.460 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638465 1223826317 /nfs/dbraw/zinc/82/63/17/1223826317.db2.gz PRNLTWWLHNIMCE-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213702145 1223835332 /nfs/dbraw/zinc/83/53/32/1223835332.db2.gz CDHWJPOXPFQRDZ-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213702145 1223835334 /nfs/dbraw/zinc/83/53/34/1223835334.db2.gz CDHWJPOXPFQRDZ-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213702145 1223835336 /nfs/dbraw/zinc/83/53/36/1223835336.db2.gz CDHWJPOXPFQRDZ-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001213702145 1223835337 /nfs/dbraw/zinc/83/53/37/1223835337.db2.gz CDHWJPOXPFQRDZ-FGTMMUONSA-N 2 1 371.522 0.465 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728634 1223840242 /nfs/dbraw/zinc/84/02/42/1223840242.db2.gz OXODATMCIMOOCE-IAGOWNOFSA-N 2 1 368.478 0.439 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728634 1223840244 /nfs/dbraw/zinc/84/02/44/1223840244.db2.gz OXODATMCIMOOCE-IAGOWNOFSA-N 2 1 368.478 0.439 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730339 1223840393 /nfs/dbraw/zinc/84/03/93/1223840393.db2.gz LWTHNUJJRTVPGC-QZTJIDSGSA-N 2 1 371.522 0.587 20 0 FCADMP CCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213756333 1223844999 /nfs/dbraw/zinc/84/49/99/1223844999.db2.gz SEBRDPMXJMYJDZ-GVDBMIGSSA-N 2 1 370.538 0.839 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213765020 1223846193 /nfs/dbraw/zinc/84/61/93/1223846193.db2.gz QCHUBDFNNHGAEZ-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213765020 1223846195 /nfs/dbraw/zinc/84/61/95/1223846195.db2.gz QCHUBDFNNHGAEZ-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213765020 1223846197 /nfs/dbraw/zinc/84/61/97/1223846197.db2.gz QCHUBDFNNHGAEZ-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863991 1223864079 /nfs/dbraw/zinc/86/40/79/1223864079.db2.gz XCBCRNSHNKAUCA-KZNAEPCWSA-N 2 1 371.522 0.587 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921876 1223873030 /nfs/dbraw/zinc/87/30/30/1223873030.db2.gz LHNUVWXZRDUVRJ-QZTJIDSGSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001214845429 1223947504 /nfs/dbraw/zinc/94/75/04/1223947504.db2.gz UGQJGLQLVDCRGV-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214861292 1223949138 /nfs/dbraw/zinc/94/91/38/1223949138.db2.gz PELCPTRVVCADPI-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889110 1223952245 /nfs/dbraw/zinc/95/22/45/1223952245.db2.gz HNLOTELJJWZEQR-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C)C1CC1 ZINC001214893957 1223952682 /nfs/dbraw/zinc/95/26/82/1223952682.db2.gz AKFBFNASLHSUCB-DNNBLBMLSA-N 2 1 359.474 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001215014996 1223964422 /nfs/dbraw/zinc/96/44/22/1223964422.db2.gz ATZRFVSLFCMBOE-RHSMWYFYSA-N 2 1 357.462 0.673 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155805 1223978951 /nfs/dbraw/zinc/97/89/51/1223978951.db2.gz KXOMQFUSQWLAJR-FVQBIDKESA-N 2 1 365.478 0.169 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001215393306 1223995802 /nfs/dbraw/zinc/99/58/02/1223995802.db2.gz XAUBEGIHCDTOEH-BZUAXINKSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001215393306 1223995806 /nfs/dbraw/zinc/99/58/06/1223995806.db2.gz XAUBEGIHCDTOEH-BZUAXINKSA-N 2 1 368.522 0.447 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cnnn4CC)C[C@H]32)CC[N@H+]1C ZINC000978181046 1248718101 /nfs/dbraw/zinc/71/81/01/1248718101.db2.gz PMYGCJRCSQQNPD-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4CC)C[C@H]32)CC[NH+]1C ZINC000978181046 1248718106 /nfs/dbraw/zinc/71/81/06/1248718106.db2.gz PMYGCJRCSQQNPD-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnnn4CC)C[C@H]32)CC[NH+]1C ZINC000978181046 1248718110 /nfs/dbraw/zinc/71/81/10/1248718110.db2.gz PMYGCJRCSQQNPD-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP Cc1ccc(O)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276724386 1224005117 /nfs/dbraw/zinc/00/51/17/1224005117.db2.gz RLNHZBCEUXGSOS-LJQANCHMSA-N 2 1 362.474 0.708 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C)C1)[NH+]1CCCC1 ZINC001215598992 1224008554 /nfs/dbraw/zinc/00/85/54/1224008554.db2.gz MMSLQLFBYRSBOU-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC001215599103 1224008780 /nfs/dbraw/zinc/00/87/80/1224008780.db2.gz QXCMKGMVQGXUCQ-IXDOHACOSA-N 2 1 361.490 0.914 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001215729058 1224014318 /nfs/dbraw/zinc/01/43/18/1224014318.db2.gz UYFLQNONRNSDPC-GDBMZVCRSA-N 2 1 361.490 0.969 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216493818 1224053111 /nfs/dbraw/zinc/05/31/11/1224053111.db2.gz CGYKTQLPBJBQHJ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752248 1224068481 /nfs/dbraw/zinc/06/84/81/1224068481.db2.gz JBHHRVWLWSMPMB-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844624 1224078784 /nfs/dbraw/zinc/07/87/84/1224078784.db2.gz HAJZFQLYPZPQRQ-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001216979828 1224083200 /nfs/dbraw/zinc/08/32/00/1224083200.db2.gz BVVQRZPAIXPINQ-SJLPKXTDSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001216979828 1224083202 /nfs/dbraw/zinc/08/32/02/1224083202.db2.gz BVVQRZPAIXPINQ-SJLPKXTDSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CCn1cncn1 ZINC001216986810 1224083394 /nfs/dbraw/zinc/08/33/94/1224083394.db2.gz AFEIZOSINUSOAI-SJLPKXTDSA-N 2 1 356.474 0.847 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CCn1cncn1 ZINC001216986810 1224083396 /nfs/dbraw/zinc/08/33/96/1224083396.db2.gz AFEIZOSINUSOAI-SJLPKXTDSA-N 2 1 356.474 0.847 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985497169 1248945145 /nfs/dbraw/zinc/94/51/45/1248945145.db2.gz DBCZHHYPBRQXCG-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985497165 1248946000 /nfs/dbraw/zinc/94/60/00/1248946000.db2.gz DBCZHHYPBRQXCG-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987509827 1249063726 /nfs/dbraw/zinc/06/37/26/1249063726.db2.gz HWEQWDPTRPNERQ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987509827 1249063737 /nfs/dbraw/zinc/06/37/37/1249063737.db2.gz HWEQWDPTRPNERQ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214280 1249385060 /nfs/dbraw/zinc/38/50/60/1249385060.db2.gz MTILKFPUWMBVFI-TVKQPGBESA-N 2 1 364.534 0.974 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CCC1 ZINC000993606414 1249793318 /nfs/dbraw/zinc/79/33/18/1249793318.db2.gz KTKOIBOXDZJFBS-ARFHVFGLSA-N 2 1 359.474 0.583 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994027589 1250153475 /nfs/dbraw/zinc/15/34/75/1250153475.db2.gz BUKGJCFZWDOLSH-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP COc1ccc(CCNC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848999213 1245390608 /nfs/dbraw/zinc/39/06/08/1245390608.db2.gz FIBNTFNJDNDCTP-MRXNPFEDSA-N 2 1 361.490 0.939 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849062825 1245391457 /nfs/dbraw/zinc/39/14/57/1245391457.db2.gz SSGKJJMNKADVGT-UHFFFAOYSA-N 3 1 363.506 0.963 20 0 FCADMP CCNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000849073944 1245391507 /nfs/dbraw/zinc/39/15/07/1245391507.db2.gz PYSPFYKOUXMBHX-UHFFFAOYSA-N 2 1 361.490 0.906 20 0 FCADMP CN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1(C[NH3+])CCCCC1 ZINC000891563290 1245455385 /nfs/dbraw/zinc/45/53/85/1245455385.db2.gz CMKIDXQCBPCIBU-KRWDZBQOSA-N 2 1 367.538 0.696 20 0 FCADMP CCOC(=O)[C@@H]1CNCC[C@@H]1[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000903796995 1245478334 /nfs/dbraw/zinc/47/83/34/1245478334.db2.gz ZWRSTBFODSWSNG-UXHICEINSA-N 2 1 374.529 0.935 20 0 FCADMP CCOC(=O)[C@@H]1CNCC[C@@H]1[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000903796995 1245478335 /nfs/dbraw/zinc/47/83/35/1245478335.db2.gz ZWRSTBFODSWSNG-UXHICEINSA-N 2 1 374.529 0.935 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000911518656 1245505995 /nfs/dbraw/zinc/50/59/95/1245505995.db2.gz ZRWAPVSPVMBYBD-LBTBCDHLSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556039 1245512993 /nfs/dbraw/zinc/51/29/93/1245512993.db2.gz INSRHHINUPEWGR-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000922342411 1245669849 /nfs/dbraw/zinc/66/98/49/1245669849.db2.gz ZVWBJIVFSVOFRF-CEXWTWQISA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000922342411 1245669855 /nfs/dbraw/zinc/66/98/55/1245669855.db2.gz ZVWBJIVFSVOFRF-CEXWTWQISA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000922342411 1245669860 /nfs/dbraw/zinc/66/98/60/1245669860.db2.gz ZVWBJIVFSVOFRF-CEXWTWQISA-N 2 1 364.534 0.916 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000923280658 1245703130 /nfs/dbraw/zinc/70/31/30/1245703130.db2.gz CDIJOBRVXAKBRO-WBVHZDCISA-N 2 1 365.449 0.709 20 0 FCADMP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000936084145 1245750314 /nfs/dbraw/zinc/75/03/14/1245750314.db2.gz UBSFAPWMLOJNEW-HZPDHXFCSA-N 2 1 359.474 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000938184065 1245833826 /nfs/dbraw/zinc/83/38/26/1245833826.db2.gz UMCATFKWMXJMDC-UKPHBRMFSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000938184065 1245833833 /nfs/dbraw/zinc/83/38/33/1245833833.db2.gz UMCATFKWMXJMDC-UKPHBRMFSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941370375 1246579919 /nfs/dbraw/zinc/57/99/19/1246579919.db2.gz WDNGKHQPBPEAMP-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000941486118 1246647925 /nfs/dbraw/zinc/64/79/25/1246647925.db2.gz LYHMOZGKKKXICT-BRWVUGGUSA-N 2 1 368.522 0.353 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000941485963 1246648554 /nfs/dbraw/zinc/64/85/54/1246648554.db2.gz HUHYHODXWVZRQF-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000941485963 1246648559 /nfs/dbraw/zinc/64/85/59/1246648559.db2.gz HUHYHODXWVZRQF-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000994219567 1250292212 /nfs/dbraw/zinc/29/22/12/1250292212.db2.gz QVVXVHMOUIJKRK-LZLYRXPVSA-N 2 1 364.534 0.881 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943058994 1247251532 /nfs/dbraw/zinc/25/15/32/1247251532.db2.gz RZBPJOVLIJJMQG-BRWVUGGUSA-N 2 1 371.441 0.384 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946909343 1248071481 /nfs/dbraw/zinc/07/14/81/1248071481.db2.gz QBDMZPRJEAMDPZ-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000946909343 1248071491 /nfs/dbraw/zinc/07/14/91/1248071491.db2.gz QBDMZPRJEAMDPZ-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000946909343 1248071504 /nfs/dbraw/zinc/07/15/04/1248071504.db2.gz QBDMZPRJEAMDPZ-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000946909343 1248071518 /nfs/dbraw/zinc/07/15/18/1248071518.db2.gz QBDMZPRJEAMDPZ-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976990536 1248512649 /nfs/dbraw/zinc/51/26/49/1248512649.db2.gz XWRDJQJNARECEJ-BRWVUGGUSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1C ZINC000977208557 1248577336 /nfs/dbraw/zinc/57/73/36/1248577336.db2.gz NUTGJUITHMKZHB-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC000977208557 1248577343 /nfs/dbraw/zinc/57/73/43/1248577343.db2.gz NUTGJUITHMKZHB-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC000977208557 1248577353 /nfs/dbraw/zinc/57/73/53/1248577353.db2.gz NUTGJUITHMKZHB-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994848887 1250711666 /nfs/dbraw/zinc/71/16/66/1250711666.db2.gz YGHSWZUYWXFVLA-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994848887 1250711677 /nfs/dbraw/zinc/71/16/77/1250711677.db2.gz YGHSWZUYWXFVLA-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994848887 1250711686 /nfs/dbraw/zinc/71/16/86/1250711686.db2.gz YGHSWZUYWXFVLA-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994848887 1250711695 /nfs/dbraw/zinc/71/16/95/1250711695.db2.gz YGHSWZUYWXFVLA-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995151496 1250732005 /nfs/dbraw/zinc/73/20/05/1250732005.db2.gz JOXAJSKXSTYRBA-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995151496 1250732011 /nfs/dbraw/zinc/73/20/11/1250732011.db2.gz JOXAJSKXSTYRBA-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000995151496 1250732020 /nfs/dbraw/zinc/73/20/20/1250732020.db2.gz JOXAJSKXSTYRBA-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000995151496 1250732025 /nfs/dbraw/zinc/73/20/25/1250732025.db2.gz JOXAJSKXSTYRBA-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995830691 1250998120 /nfs/dbraw/zinc/99/81/20/1250998120.db2.gz HLLOSFIIDRKKSY-RBSFLKMASA-N 2 1 364.490 0.302 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961143 1251095635 /nfs/dbraw/zinc/09/56/35/1251095635.db2.gz VSUYNHBIELPHBX-FVQBIDKESA-N 2 1 364.494 0.344 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961143 1251095644 /nfs/dbraw/zinc/09/56/44/1251095644.db2.gz VSUYNHBIELPHBX-FVQBIDKESA-N 2 1 364.494 0.344 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)n[nH]1 ZINC001328442341 1265549527 /nfs/dbraw/zinc/54/95/27/1265549527.db2.gz GEGVPYFIDVKSNV-UHFFFAOYSA-N 2 1 367.417 0.699 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000996572897 1251392033 /nfs/dbraw/zinc/39/20/33/1251392033.db2.gz QEYLXDPRAIFZJA-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000996572897 1251392039 /nfs/dbraw/zinc/39/20/39/1251392039.db2.gz QEYLXDPRAIFZJA-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC000996573346 1251392945 /nfs/dbraw/zinc/39/29/45/1251392945.db2.gz SWSPUDCJZHKISZ-PMPSAXMXSA-N 2 1 359.474 0.924 20 0 FCADMP COCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC000996606555 1251402879 /nfs/dbraw/zinc/40/28/79/1251402879.db2.gz KCPSBMYSKSZKEC-UKRRQHHQSA-N 2 1 365.478 0.679 20 0 FCADMP COCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC000996606555 1251402881 /nfs/dbraw/zinc/40/28/81/1251402881.db2.gz KCPSBMYSKSZKEC-UKRRQHHQSA-N 2 1 365.478 0.679 20 0 FCADMP CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996716162 1251423600 /nfs/dbraw/zinc/42/36/00/1251423600.db2.gz IUHHKTFZZKDLIM-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)N1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996716162 1251423605 /nfs/dbraw/zinc/42/36/05/1251423605.db2.gz IUHHKTFZZKDLIM-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000996719302 1251425053 /nfs/dbraw/zinc/42/50/53/1251425053.db2.gz JGVMVSXMSAIKQZ-BDXSIMOUSA-N 2 1 371.485 0.781 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997175944 1251505230 /nfs/dbraw/zinc/50/52/30/1251505230.db2.gz HLVCUDHIGMEALN-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997175944 1251505240 /nfs/dbraw/zinc/50/52/40/1251505240.db2.gz HLVCUDHIGMEALN-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000997858551 1251727773 /nfs/dbraw/zinc/72/77/73/1251727773.db2.gz GVBKAGGVMURCGL-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000997858551 1251727780 /nfs/dbraw/zinc/72/77/80/1251727780.db2.gz GVBKAGGVMURCGL-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000997861642 1251727867 /nfs/dbraw/zinc/72/78/67/1251727867.db2.gz ZBXKFUJFAVORTM-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000997861642 1251727874 /nfs/dbraw/zinc/72/78/74/1251727874.db2.gz ZBXKFUJFAVORTM-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000997861096 1251728091 /nfs/dbraw/zinc/72/80/91/1251728091.db2.gz UOYWQGCLPVAEAE-CRAIPNDOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000997861096 1251728095 /nfs/dbraw/zinc/72/80/95/1251728095.db2.gz UOYWQGCLPVAEAE-CRAIPNDOSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997854272 1251728634 /nfs/dbraw/zinc/72/86/34/1251728634.db2.gz ASZLHVAWEGAETN-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997854272 1251728640 /nfs/dbraw/zinc/72/86/40/1251728640.db2.gz ASZLHVAWEGAETN-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000998061024 1251769586 /nfs/dbraw/zinc/76/95/86/1251769586.db2.gz YSEZTPAWOQZXJB-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000998061024 1251769589 /nfs/dbraw/zinc/76/95/89/1251769589.db2.gz YSEZTPAWOQZXJB-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000998061024 1251769593 /nfs/dbraw/zinc/76/95/93/1251769593.db2.gz YSEZTPAWOQZXJB-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000998061024 1251769596 /nfs/dbraw/zinc/76/95/96/1251769596.db2.gz YSEZTPAWOQZXJB-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001328732719 1265603913 /nfs/dbraw/zinc/60/39/13/1265603913.db2.gz MBDUBTNJYZELLN-WMZOPIPTSA-N 2 1 360.502 0.987 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC000999211319 1252070175 /nfs/dbraw/zinc/07/01/75/1252070175.db2.gz YKZLPYALFQQHOQ-CWRNSKLLSA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC000999211319 1252070182 /nfs/dbraw/zinc/07/01/82/1252070182.db2.gz YKZLPYALFQQHOQ-CWRNSKLLSA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCOC)C3)nn2)CC[N@H+]1C ZINC000999985670 1252258775 /nfs/dbraw/zinc/25/87/75/1252258775.db2.gz DFGGHXWVPFJECI-YESZJQIVSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCOC)C3)nn2)CC[NH+]1C ZINC000999985670 1252258785 /nfs/dbraw/zinc/25/87/85/1252258785.db2.gz DFGGHXWVPFJECI-YESZJQIVSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCOC)C3)nn2)CC[NH+]1C ZINC000999985670 1252258795 /nfs/dbraw/zinc/25/87/95/1252258795.db2.gz DFGGHXWVPFJECI-YESZJQIVSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC001002082539 1252430264 /nfs/dbraw/zinc/43/02/64/1252430264.db2.gz FFHVOTWGCONBKL-RCCFBDPRSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3occc3C[NH+](C)C)C2)CC[N@H+]1C ZINC001002238109 1252483594 /nfs/dbraw/zinc/48/35/94/1252483594.db2.gz NIBAZNKBUJOGEQ-CZUORRHYSA-N 2 1 362.474 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001002248386 1252488377 /nfs/dbraw/zinc/48/83/77/1252488377.db2.gz PVLBBOQXJWDYLC-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC001002979865 1252752419 /nfs/dbraw/zinc/75/24/19/1252752419.db2.gz GYFIGQAZYXMGII-IUODEOHRSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC001002979865 1252752424 /nfs/dbraw/zinc/75/24/24/1252752424.db2.gz GYFIGQAZYXMGII-IUODEOHRSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC001003137556 1252790372 /nfs/dbraw/zinc/79/03/72/1252790372.db2.gz KBPWHTLBKOKTCI-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC001003137556 1252790376 /nfs/dbraw/zinc/79/03/76/1252790376.db2.gz KBPWHTLBKOKTCI-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001004211496 1253247515 /nfs/dbraw/zinc/24/75/15/1253247515.db2.gz RCUYCFQDZSINQZ-ZACQAIPSSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001004217495 1253251396 /nfs/dbraw/zinc/25/13/96/1253251396.db2.gz ZLLJNMMHWPCZRL-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001004217495 1253251415 /nfs/dbraw/zinc/25/14/15/1253251415.db2.gz ZLLJNMMHWPCZRL-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001005580606 1253582224 /nfs/dbraw/zinc/58/22/24/1253582224.db2.gz IJBFBOXWCDJBDL-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001005580606 1253582234 /nfs/dbraw/zinc/58/22/34/1253582234.db2.gz IJBFBOXWCDJBDL-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001022174777 1253801087 /nfs/dbraw/zinc/80/10/87/1253801087.db2.gz KNRCVMXNLLPTMP-YYIAUSFCSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001022174777 1253801092 /nfs/dbraw/zinc/80/10/92/1253801092.db2.gz KNRCVMXNLLPTMP-YYIAUSFCSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001022175146 1253803093 /nfs/dbraw/zinc/80/30/93/1253803093.db2.gz PWLAFDGTKFSEPH-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001022175146 1253803097 /nfs/dbraw/zinc/80/30/97/1253803097.db2.gz PWLAFDGTKFSEPH-BHYGNILZSA-N 2 1 359.474 0.593 20 0 FCADMP CCCn1nnnc1C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001026496688 1253846790 /nfs/dbraw/zinc/84/67/90/1253846790.db2.gz OKCNSAPBAAWGJA-PRLABOORSA-N 2 1 363.510 0.940 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916714 1253849624 /nfs/dbraw/zinc/84/96/24/1253849624.db2.gz MSKIRKGJBALFMY-IIAWOOMASA-N 2 1 363.462 0.142 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916714 1253849635 /nfs/dbraw/zinc/84/96/35/1253849635.db2.gz MSKIRKGJBALFMY-IIAWOOMASA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001027416300 1253852785 /nfs/dbraw/zinc/85/27/85/1253852785.db2.gz DGSJITFFIYHDJR-BZUAXINKSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001027416300 1253852804 /nfs/dbraw/zinc/85/28/04/1253852804.db2.gz DGSJITFFIYHDJR-BZUAXINKSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001027416300 1253852823 /nfs/dbraw/zinc/85/28/23/1253852823.db2.gz DGSJITFFIYHDJR-BZUAXINKSA-N 2 1 364.490 0.398 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001031681397 1253886444 /nfs/dbraw/zinc/88/64/44/1253886444.db2.gz PWTKYQYNGXUOJU-RDTXWAMCSA-N 2 1 358.486 0.934 20 0 FCADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001031994449 1253913342 /nfs/dbraw/zinc/91/33/42/1253913342.db2.gz YPXTYJHHWNDWGN-CEXWTWQISA-N 2 1 370.497 0.611 20 0 FCADMP CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001031994449 1253913354 /nfs/dbraw/zinc/91/33/54/1253913354.db2.gz YPXTYJHHWNDWGN-CEXWTWQISA-N 2 1 370.497 0.611 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842711 1265782606 /nfs/dbraw/zinc/78/26/06/1265782606.db2.gz ZESDSLCMKSESGG-DNVCBOLYSA-N 2 1 358.486 0.970 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3nccn3C)C2)C[N@H+]1C1CC1 ZINC001329645419 1265797911 /nfs/dbraw/zinc/79/79/11/1265797911.db2.gz SLEQEHVVZLCDDP-OAGGEKHMSA-N 2 1 373.501 0.943 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CO)cc2)O1 ZINC001034973583 1254012305 /nfs/dbraw/zinc/01/23/05/1254012305.db2.gz AENRQBAWZPCQRO-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CO)cc2)O1 ZINC001034973583 1254012313 /nfs/dbraw/zinc/01/23/13/1254012313.db2.gz AENRQBAWZPCQRO-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001061622240 1254194993 /nfs/dbraw/zinc/19/49/93/1254194993.db2.gz NYOALDRLEVXLKG-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001061622240 1254194998 /nfs/dbraw/zinc/19/49/98/1254194998.db2.gz NYOALDRLEVXLKG-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001061622240 1254195012 /nfs/dbraw/zinc/19/50/12/1254195012.db2.gz NYOALDRLEVXLKG-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063721778 1254381074 /nfs/dbraw/zinc/38/10/74/1254381074.db2.gz VLROYIFVAMJCSG-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063721778 1254381086 /nfs/dbraw/zinc/38/10/86/1254381086.db2.gz VLROYIFVAMJCSG-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063721778 1254381096 /nfs/dbraw/zinc/38/10/96/1254381096.db2.gz VLROYIFVAMJCSG-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063721778 1254381104 /nfs/dbraw/zinc/38/11/04/1254381104.db2.gz VLROYIFVAMJCSG-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065540142 1254546520 /nfs/dbraw/zinc/54/65/20/1254546520.db2.gz MJQZWIUKSYPSLZ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1 ZINC001520304273 1265903058 /nfs/dbraw/zinc/90/30/58/1265903058.db2.gz SFSROYIIYRUDRT-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1 ZINC001520304272 1265903161 /nfs/dbraw/zinc/90/31/61/1265903161.db2.gz SFSROYIIYRUDRT-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566713 1254703121 /nfs/dbraw/zinc/70/31/21/1254703121.db2.gz LXYNZNUNCXJXCS-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566713 1254703132 /nfs/dbraw/zinc/70/31/32/1254703132.db2.gz LXYNZNUNCXJXCS-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566713 1254703145 /nfs/dbraw/zinc/70/31/45/1254703145.db2.gz LXYNZNUNCXJXCS-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077566713 1254703161 /nfs/dbraw/zinc/70/31/61/1254703161.db2.gz LXYNZNUNCXJXCS-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679255 1254863754 /nfs/dbraw/zinc/86/37/54/1254863754.db2.gz LMLSUXXTCMHJEA-KBAYOESNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679255 1254863770 /nfs/dbraw/zinc/86/37/70/1254863770.db2.gz LMLSUXXTCMHJEA-KBAYOESNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679255 1254863788 /nfs/dbraw/zinc/86/37/88/1254863788.db2.gz LMLSUXXTCMHJEA-KBAYOESNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679255 1254863801 /nfs/dbraw/zinc/86/38/01/1254863801.db2.gz LMLSUXXTCMHJEA-KBAYOESNSA-N 2 1 361.486 0.877 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779575 1254983560 /nfs/dbraw/zinc/98/35/60/1254983560.db2.gz WLHMZOBYWSIDLR-QZTJIDSGSA-N 2 1 364.490 0.939 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779575 1254983565 /nfs/dbraw/zinc/98/35/65/1254983565.db2.gz WLHMZOBYWSIDLR-QZTJIDSGSA-N 2 1 364.490 0.939 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)cc1 ZINC001077838852 1255039323 /nfs/dbraw/zinc/03/93/23/1255039323.db2.gz QUEMABNMGXWRRR-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)cc1 ZINC001077838852 1255039330 /nfs/dbraw/zinc/03/93/30/1255039330.db2.gz QUEMABNMGXWRRR-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011862 1255167565 /nfs/dbraw/zinc/16/75/65/1255167565.db2.gz LIZHJEIEXACNAD-HZPDHXFCSA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011862 1255167571 /nfs/dbraw/zinc/16/75/71/1255167571.db2.gz LIZHJEIEXACNAD-HZPDHXFCSA-N 2 1 363.433 0.462 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1 ZINC001078011049 1255167726 /nfs/dbraw/zinc/16/77/26/1255167726.db2.gz ZFLXNFYPQPDWSK-KZNAEPCWSA-N 2 1 359.470 0.631 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174206 1255288139 /nfs/dbraw/zinc/28/81/39/1255288139.db2.gz DSOFUXMKCFZHCE-KZNAEPCWSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174206 1255288142 /nfs/dbraw/zinc/28/81/42/1255288142.db2.gz DSOFUXMKCFZHCE-KZNAEPCWSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174206 1255288149 /nfs/dbraw/zinc/28/81/49/1255288149.db2.gz DSOFUXMKCFZHCE-KZNAEPCWSA-N 2 1 361.486 0.741 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206051 1255318502 /nfs/dbraw/zinc/31/85/02/1255318502.db2.gz NPBFJMYBFWQDEQ-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206051 1255318509 /nfs/dbraw/zinc/31/85/09/1255318509.db2.gz NPBFJMYBFWQDEQ-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206051 1255318518 /nfs/dbraw/zinc/31/85/18/1255318518.db2.gz NPBFJMYBFWQDEQ-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206051 1255318525 /nfs/dbraw/zinc/31/85/25/1255318525.db2.gz NPBFJMYBFWQDEQ-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)ncn1 ZINC001078405519 1255408802 /nfs/dbraw/zinc/40/88/02/1255408802.db2.gz PTTOCLSFMRZQKS-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001079146708 1255458707 /nfs/dbraw/zinc/45/87/07/1255458707.db2.gz BXZAFGXFNGELMN-GUDVDZBRSA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001079146708 1255458709 /nfs/dbraw/zinc/45/87/09/1255458709.db2.gz BXZAFGXFNGELMN-GUDVDZBRSA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001079146708 1255458714 /nfs/dbraw/zinc/45/87/14/1255458714.db2.gz BXZAFGXFNGELMN-GUDVDZBRSA-N 2 1 361.486 0.394 20 0 FCADMP COCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001079155083 1255462048 /nfs/dbraw/zinc/46/20/48/1255462048.db2.gz LAZQOOPYLFUAQG-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCC(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001079161656 1255462555 /nfs/dbraw/zinc/46/25/55/1255462555.db2.gz BGJFYKNIBQPDEZ-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC(=O)N1CC[NH+](CCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001079161656 1255462558 /nfs/dbraw/zinc/46/25/58/1255462558.db2.gz BGJFYKNIBQPDEZ-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079246156 1255486090 /nfs/dbraw/zinc/48/60/90/1255486090.db2.gz SOWIGNMQZXXDNY-FGTMMUONSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710690 1255583209 /nfs/dbraw/zinc/58/32/09/1255583209.db2.gz SEEJHTZDISSTHM-ZTFGCOKTSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710690 1255583217 /nfs/dbraw/zinc/58/32/17/1255583217.db2.gz SEEJHTZDISSTHM-ZTFGCOKTSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717551 1255585889 /nfs/dbraw/zinc/58/58/89/1255585889.db2.gz NIOBHUBFWQDKTD-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717551 1255585892 /nfs/dbraw/zinc/58/58/92/1255585892.db2.gz NIOBHUBFWQDKTD-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[N@H+]1C ZINC001079732449 1255587958 /nfs/dbraw/zinc/58/79/58/1255587958.db2.gz LPQJLELAXQFIEU-QKPAOTATSA-N 2 1 364.490 0.302 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732449 1255587965 /nfs/dbraw/zinc/58/79/65/1255587965.db2.gz LPQJLELAXQFIEU-QKPAOTATSA-N 2 1 364.490 0.302 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732449 1255587970 /nfs/dbraw/zinc/58/79/70/1255587970.db2.gz LPQJLELAXQFIEU-QKPAOTATSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079948848 1255675558 /nfs/dbraw/zinc/67/55/58/1255675558.db2.gz CDGKWNQONTVHJC-KFWWJZLASA-N 2 1 362.474 0.104 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079948848 1255675567 /nfs/dbraw/zinc/67/55/67/1255675567.db2.gz CDGKWNQONTVHJC-KFWWJZLASA-N 2 1 362.474 0.104 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039164 1255722396 /nfs/dbraw/zinc/72/23/96/1255722396.db2.gz ZZFHKFQLUNLXAL-IXDOHACOSA-N 2 1 361.490 0.309 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188313 1255778634 /nfs/dbraw/zinc/77/86/34/1255778634.db2.gz CHHFVLKVUZOHBF-SZVBFZGTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188313 1255778640 /nfs/dbraw/zinc/77/86/40/1255778640.db2.gz CHHFVLKVUZOHBF-SZVBFZGTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383382 1255867274 /nfs/dbraw/zinc/86/72/74/1255867274.db2.gz BRZYEYAGORWNLF-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383382 1255867282 /nfs/dbraw/zinc/86/72/82/1255867282.db2.gz BRZYEYAGORWNLF-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559018 1255929196 /nfs/dbraw/zinc/92/91/96/1255929196.db2.gz PYLHJRRSNLULAN-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559018 1255929208 /nfs/dbraw/zinc/92/92/08/1255929208.db2.gz PYLHJRRSNLULAN-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786632 1256037922 /nfs/dbraw/zinc/03/79/22/1256037922.db2.gz TVYXLTXUBIQFFU-HLLBOEOZSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786632 1256037927 /nfs/dbraw/zinc/03/79/27/1256037927.db2.gz TVYXLTXUBIQFFU-HLLBOEOZSA-N 2 1 362.518 0.966 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976853 1256120741 /nfs/dbraw/zinc/12/07/41/1256120741.db2.gz LTFILDLHUXPXOA-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976853 1256120742 /nfs/dbraw/zinc/12/07/42/1256120742.db2.gz LTFILDLHUXPXOA-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976853 1256120745 /nfs/dbraw/zinc/12/07/45/1256120745.db2.gz LTFILDLHUXPXOA-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976853 1256120748 /nfs/dbraw/zinc/12/07/48/1256120748.db2.gz LTFILDLHUXPXOA-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081115949 1256183672 /nfs/dbraw/zinc/18/36/72/1256183672.db2.gz WTFNBMOIICDOJN-RCCFBDPRSA-N 2 1 358.486 0.929 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2OC)CC[N@H+]1C ZINC001081699465 1256337908 /nfs/dbraw/zinc/33/79/08/1256337908.db2.gz XMCLXTMFBZPUGC-BSDSXHPESA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699465 1256337916 /nfs/dbraw/zinc/33/79/16/1256337916.db2.gz XMCLXTMFBZPUGC-BSDSXHPESA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699465 1256337923 /nfs/dbraw/zinc/33/79/23/1256337923.db2.gz XMCLXTMFBZPUGC-BSDSXHPESA-N 2 1 363.506 0.508 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001081885104 1256431266 /nfs/dbraw/zinc/43/12/66/1256431266.db2.gz ZXKCQWHSHPYYJW-FGTMMUONSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001081885104 1256431270 /nfs/dbraw/zinc/43/12/70/1256431270.db2.gz ZXKCQWHSHPYYJW-FGTMMUONSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001081885104 1256431275 /nfs/dbraw/zinc/43/12/75/1256431275.db2.gz ZXKCQWHSHPYYJW-FGTMMUONSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001081885104 1256431278 /nfs/dbraw/zinc/43/12/78/1256431278.db2.gz ZXKCQWHSHPYYJW-FGTMMUONSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200974 1256587663 /nfs/dbraw/zinc/58/76/63/1256587663.db2.gz CNAGDZDKTPDIFU-QZTJIDSGSA-N 2 1 363.506 0.510 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326469 1256665966 /nfs/dbraw/zinc/66/59/66/1256665966.db2.gz FDQDMPTWYFLMJG-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326469 1256665972 /nfs/dbraw/zinc/66/59/72/1256665972.db2.gz FDQDMPTWYFLMJG-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326469 1256665977 /nfs/dbraw/zinc/66/59/77/1256665977.db2.gz FDQDMPTWYFLMJG-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368474 1256716761 /nfs/dbraw/zinc/71/67/61/1256716761.db2.gz CRZGRWMKICUBPM-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368474 1256716766 /nfs/dbraw/zinc/71/67/66/1256716766.db2.gz CRZGRWMKICUBPM-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368474 1256716773 /nfs/dbraw/zinc/71/67/73/1256716773.db2.gz CRZGRWMKICUBPM-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368474 1256716778 /nfs/dbraw/zinc/71/67/78/1256716778.db2.gz CRZGRWMKICUBPM-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370015 1256718663 /nfs/dbraw/zinc/71/86/63/1256718663.db2.gz OBTLDBJWJZXINP-QGPMSJSTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370015 1256718667 /nfs/dbraw/zinc/71/86/67/1256718667.db2.gz OBTLDBJWJZXINP-QGPMSJSTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082370015 1256718673 /nfs/dbraw/zinc/71/86/73/1256718673.db2.gz OBTLDBJWJZXINP-QGPMSJSTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082370015 1256718679 /nfs/dbraw/zinc/71/86/79/1256718679.db2.gz OBTLDBJWJZXINP-QGPMSJSTSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082458272 1256771034 /nfs/dbraw/zinc/77/10/34/1256771034.db2.gz FKAZHNWZZDGJHN-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082458272 1256771038 /nfs/dbraw/zinc/77/10/38/1256771038.db2.gz FKAZHNWZZDGJHN-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082508082 1256793466 /nfs/dbraw/zinc/79/34/66/1256793466.db2.gz PGZWZYYPWALZIR-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515678 1256800953 /nfs/dbraw/zinc/80/09/53/1256800953.db2.gz UTKBRIFYGIWTSJ-VNQPRFMTSA-N 2 1 361.494 0.361 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)n1C ZINC001330592871 1266065671 /nfs/dbraw/zinc/06/56/71/1266065671.db2.gz IBZHYGMGNSGWCM-SECBINFHSA-N 2 1 368.392 0.480 20 0 FCADMP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001330593690 1266066683 /nfs/dbraw/zinc/06/66/83/1266066683.db2.gz ARGYBAGTJKUZCF-MRXNPFEDSA-N 2 1 363.510 0.258 20 0 FCADMP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001330593690 1266066691 /nfs/dbraw/zinc/06/66/91/1266066691.db2.gz ARGYBAGTJKUZCF-MRXNPFEDSA-N 2 1 363.510 0.258 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)cn1 ZINC001082557815 1256853907 /nfs/dbraw/zinc/85/39/07/1256853907.db2.gz HYYOBXYTAIIWBN-ZTFGCOKTSA-N 2 1 371.489 0.548 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082558255 1256853998 /nfs/dbraw/zinc/85/39/98/1256853998.db2.gz HHZSQQQCTXWSNJ-KBAYOESNSA-N 2 1 356.474 0.845 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082558335 1256856618 /nfs/dbraw/zinc/85/66/18/1256856618.db2.gz KZRHEHHBNSLDDA-QLFBSQMISA-N 2 1 364.494 0.308 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082558294 1256858062 /nfs/dbraw/zinc/85/80/62/1256858062.db2.gz JOCRGBHIUVOHGF-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP NC(=O)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670817 1266080397 /nfs/dbraw/zinc/08/03/97/1266080397.db2.gz BDEYCLOTVSLDGC-UYAOXDASSA-N 2 1 361.486 0.884 20 0 FCADMP NC(=O)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670817 1266080405 /nfs/dbraw/zinc/08/04/05/1266080405.db2.gz BDEYCLOTVSLDGC-UYAOXDASSA-N 2 1 361.486 0.884 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)CC2 ZINC001082708970 1257002639 /nfs/dbraw/zinc/00/26/39/1257002639.db2.gz ZXNAXVVQORDEQA-SUYBPPKGSA-N 2 1 357.462 0.519 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741250 1257020807 /nfs/dbraw/zinc/02/08/07/1257020807.db2.gz UOWBVUPCDMBBKL-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741250 1257020815 /nfs/dbraw/zinc/02/08/15/1257020815.db2.gz UOWBVUPCDMBBKL-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C1)C2 ZINC001082743436 1257022183 /nfs/dbraw/zinc/02/21/83/1257022183.db2.gz ZXIOAWLIAUNTKX-UKPHBRMFSA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC001082807475 1257064760 /nfs/dbraw/zinc/06/47/60/1257064760.db2.gz KITBAIVBXLCJCC-BHIYHBOVSA-N 2 1 361.486 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082807491 1257065662 /nfs/dbraw/zinc/06/56/62/1257065662.db2.gz LHHMPCZYDVRUST-IXDOHACOSA-N 2 1 366.506 0.062 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082808108 1257066782 /nfs/dbraw/zinc/06/67/82/1257066782.db2.gz VNLRUGUSHZZLTQ-GDBMZVCRSA-N 2 1 363.462 0.144 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082807782 1257067397 /nfs/dbraw/zinc/06/73/97/1257067397.db2.gz CXYOEWFIBOEEEP-NVXWUHKLSA-N 2 1 362.474 0.044 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC001082828895 1257086071 /nfs/dbraw/zinc/08/60/71/1257086071.db2.gz ONBPLWNWXLZKMN-XJKCOSOUSA-N 2 1 365.478 0.986 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082861440 1257112593 /nfs/dbraw/zinc/11/25/93/1257112593.db2.gz AYSKFMNOJVDQES-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082861440 1257112597 /nfs/dbraw/zinc/11/25/97/1257112597.db2.gz AYSKFMNOJVDQES-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082920986 1257145863 /nfs/dbraw/zinc/14/58/63/1257145863.db2.gz OOEPMBVJYMRAIL-RBSFLKMASA-N 2 1 363.510 0.359 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cc1=O ZINC001082922280 1257146484 /nfs/dbraw/zinc/14/64/84/1257146484.db2.gz UEMBRDZASXXDEE-IUODEOHRSA-N 2 1 360.414 0.790 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)C1 ZINC001082933997 1257155306 /nfs/dbraw/zinc/15/53/06/1257155306.db2.gz SKGSFADRTOYZDN-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)n3)C2)C1 ZINC001082933997 1257155309 /nfs/dbraw/zinc/15/53/09/1257155309.db2.gz SKGSFADRTOYZDN-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083144415 1257400260 /nfs/dbraw/zinc/40/02/60/1257400260.db2.gz GDFRMTYRUSVOOC-YESZJQIVSA-N 2 1 369.425 0.138 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083144415 1257400262 /nfs/dbraw/zinc/40/02/62/1257400262.db2.gz GDFRMTYRUSVOOC-YESZJQIVSA-N 2 1 369.425 0.138 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083733253 1257470666 /nfs/dbraw/zinc/47/06/66/1257470666.db2.gz GXZWYYNDVCNCFZ-OIISXLGYSA-N 2 1 365.474 0.933 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083733253 1257470670 /nfs/dbraw/zinc/47/06/70/1257470670.db2.gz GXZWYYNDVCNCFZ-OIISXLGYSA-N 2 1 365.474 0.933 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777573 1257517021 /nfs/dbraw/zinc/51/70/21/1257517021.db2.gz CDHMFFLOEKLYGB-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777573 1257517029 /nfs/dbraw/zinc/51/70/29/1257517029.db2.gz CDHMFFLOEKLYGB-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777573 1257517031 /nfs/dbraw/zinc/51/70/31/1257517031.db2.gz CDHMFFLOEKLYGB-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083779688 1257522159 /nfs/dbraw/zinc/52/21/59/1257522159.db2.gz OQUCYGOHDCXINW-IPELMVKDSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083779688 1257522163 /nfs/dbraw/zinc/52/21/63/1257522163.db2.gz OQUCYGOHDCXINW-IPELMVKDSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083779688 1257522166 /nfs/dbraw/zinc/52/21/66/1257522166.db2.gz OQUCYGOHDCXINW-IPELMVKDSA-N 2 1 361.486 0.883 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781541 1257526455 /nfs/dbraw/zinc/52/64/55/1257526455.db2.gz LMLSUXXTCMHJEA-JQHSSLGASA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781541 1257526457 /nfs/dbraw/zinc/52/64/57/1257526457.db2.gz LMLSUXXTCMHJEA-JQHSSLGASA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781541 1257526461 /nfs/dbraw/zinc/52/64/61/1257526461.db2.gz LMLSUXXTCMHJEA-JQHSSLGASA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781541 1257526465 /nfs/dbraw/zinc/52/64/65/1257526465.db2.gz LMLSUXXTCMHJEA-JQHSSLGASA-N 2 1 361.486 0.877 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833116 1257586989 /nfs/dbraw/zinc/58/69/89/1257586989.db2.gz KDMVFPOXFJZQEE-SJORKVTESA-N 2 1 364.490 0.939 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833116 1257587000 /nfs/dbraw/zinc/58/70/00/1257587000.db2.gz KDMVFPOXFJZQEE-SJORKVTESA-N 2 1 364.490 0.939 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2O)cn1 ZINC001083851330 1257608242 /nfs/dbraw/zinc/60/82/42/1257608242.db2.gz ZVGBDCNBOJHVNO-MSOLQXFVSA-N 2 1 363.506 0.800 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001083939140 1257724913 /nfs/dbraw/zinc/72/49/13/1257724913.db2.gz YLQVBLRRAFVHTA-KURKYZTESA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001083939140 1257724916 /nfs/dbraw/zinc/72/49/16/1257724916.db2.gz YLQVBLRRAFVHTA-KURKYZTESA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083939140 1257724920 /nfs/dbraw/zinc/72/49/20/1257724920.db2.gz YLQVBLRRAFVHTA-KURKYZTESA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083939140 1257724922 /nfs/dbraw/zinc/72/49/22/1257724922.db2.gz YLQVBLRRAFVHTA-KURKYZTESA-N 2 1 363.506 0.699 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954948 1257744105 /nfs/dbraw/zinc/74/41/05/1257744105.db2.gz PHUPDAGHVCGEKO-OIISXLGYSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954948 1257744111 /nfs/dbraw/zinc/74/41/11/1257744111.db2.gz PHUPDAGHVCGEKO-OIISXLGYSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954948 1257744115 /nfs/dbraw/zinc/74/41/15/1257744115.db2.gz PHUPDAGHVCGEKO-OIISXLGYSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954948 1257744119 /nfs/dbraw/zinc/74/41/19/1257744119.db2.gz PHUPDAGHVCGEKO-OIISXLGYSA-N 2 1 365.449 0.708 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053245 1257866244 /nfs/dbraw/zinc/86/62/44/1257866244.db2.gz XAFRYOKWJKNEMQ-NXHRZFHOSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053245 1257866253 /nfs/dbraw/zinc/86/62/53/1257866253.db2.gz XAFRYOKWJKNEMQ-NXHRZFHOSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053245 1257866261 /nfs/dbraw/zinc/86/62/61/1257866261.db2.gz XAFRYOKWJKNEMQ-NXHRZFHOSA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053245 1257866270 /nfs/dbraw/zinc/86/62/70/1257866270.db2.gz XAFRYOKWJKNEMQ-NXHRZFHOSA-N 2 1 360.458 0.258 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056807 1257868195 /nfs/dbraw/zinc/86/81/95/1257868195.db2.gz OVMNTWAILYCWQK-UHOSZYNNSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056807 1257868201 /nfs/dbraw/zinc/86/82/01/1257868201.db2.gz OVMNTWAILYCWQK-UHOSZYNNSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056807 1257868214 /nfs/dbraw/zinc/86/82/14/1257868214.db2.gz OVMNTWAILYCWQK-UHOSZYNNSA-N 2 1 369.469 0.485 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)cn1 ZINC001084087839 1257912526 /nfs/dbraw/zinc/91/25/26/1257912526.db2.gz CKUURIVPZWNRSW-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)cn1 ZINC001084087839 1257912531 /nfs/dbraw/zinc/91/25/31/1257912531.db2.gz CKUURIVPZWNRSW-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@H+]1C ZINC001084355223 1258046749 /nfs/dbraw/zinc/04/67/49/1258046749.db2.gz MKBSFVWCOANDDP-KLHDSHLOSA-N 2 1 362.474 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001084355223 1258046755 /nfs/dbraw/zinc/04/67/55/1258046755.db2.gz MKBSFVWCOANDDP-KLHDSHLOSA-N 2 1 362.474 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001084355223 1258046763 /nfs/dbraw/zinc/04/67/63/1258046763.db2.gz MKBSFVWCOANDDP-KLHDSHLOSA-N 2 1 362.474 0.008 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)cc1=O ZINC001084406020 1258085080 /nfs/dbraw/zinc/08/50/80/1258085080.db2.gz CQTNTOYGFZTARH-ZHALLVOQSA-N 2 1 358.486 0.758 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001084407014 1258086539 /nfs/dbraw/zinc/08/65/39/1258086539.db2.gz DXCHZDKVEBNCRG-ZHALLVOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409719 1258088181 /nfs/dbraw/zinc/08/81/81/1258088181.db2.gz FOBUKQGBCBJCPA-KBAYOESNSA-N 2 1 361.490 0.261 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409719 1258088187 /nfs/dbraw/zinc/08/81/87/1258088187.db2.gz FOBUKQGBCBJCPA-KBAYOESNSA-N 2 1 361.490 0.261 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409719 1258088193 /nfs/dbraw/zinc/08/81/93/1258088193.db2.gz FOBUKQGBCBJCPA-KBAYOESNSA-N 2 1 361.490 0.261 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccnn4C)C[C@H]32)O1 ZINC001084447206 1258116620 /nfs/dbraw/zinc/11/66/20/1258116620.db2.gz DAWBCVWJKSQJEC-JOCBIADPSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccnn4C)C[C@H]32)O1 ZINC001084447206 1258116625 /nfs/dbraw/zinc/11/66/25/1258116625.db2.gz DAWBCVWJKSQJEC-JOCBIADPSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccnn4C)C[C@H]32)O1 ZINC001084447206 1258116629 /nfs/dbraw/zinc/11/66/29/1258116629.db2.gz DAWBCVWJKSQJEC-JOCBIADPSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccnn4C)C[C@H]32)O1 ZINC001084447206 1258116630 /nfs/dbraw/zinc/11/66/30/1258116630.db2.gz DAWBCVWJKSQJEC-JOCBIADPSA-N 2 1 361.490 0.214 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084544941 1258163779 /nfs/dbraw/zinc/16/37/79/1258163779.db2.gz OBLMCZJWYNUGTO-NZSAHSFTSA-N 2 1 370.497 0.826 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084544941 1258163780 /nfs/dbraw/zinc/16/37/80/1258163780.db2.gz OBLMCZJWYNUGTO-NZSAHSFTSA-N 2 1 370.497 0.826 20 0 FCADMP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664451 1258227108 /nfs/dbraw/zinc/22/71/08/1258227108.db2.gz WZDANMCPOYXEIM-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664451 1258227113 /nfs/dbraw/zinc/22/71/13/1258227113.db2.gz WZDANMCPOYXEIM-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664451 1258227120 /nfs/dbraw/zinc/22/71/20/1258227120.db2.gz WZDANMCPOYXEIM-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664451 1258227127 /nfs/dbraw/zinc/22/71/27/1258227127.db2.gz WZDANMCPOYXEIM-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001331199971 1266169851 /nfs/dbraw/zinc/16/98/51/1266169851.db2.gz GSIWDFITGUERRB-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084702340 1258251278 /nfs/dbraw/zinc/25/12/78/1258251278.db2.gz TWXQBRCLAPYEPQ-OWCLPIDISA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084702340 1258251283 /nfs/dbraw/zinc/25/12/83/1258251283.db2.gz TWXQBRCLAPYEPQ-OWCLPIDISA-N 2 1 362.474 0.056 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830449 1258375176 /nfs/dbraw/zinc/37/51/76/1258375176.db2.gz VYVVVFPPSGIFKW-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830449 1258375182 /nfs/dbraw/zinc/37/51/82/1258375182.db2.gz VYVVVFPPSGIFKW-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830449 1258375190 /nfs/dbraw/zinc/37/51/90/1258375190.db2.gz VYVVVFPPSGIFKW-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830449 1258375198 /nfs/dbraw/zinc/37/51/98/1258375198.db2.gz VYVVVFPPSGIFKW-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844026 1258393375 /nfs/dbraw/zinc/39/33/75/1258393375.db2.gz CXIFONJNNALPRB-KURKYZTESA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844026 1258393383 /nfs/dbraw/zinc/39/33/83/1258393383.db2.gz CXIFONJNNALPRB-KURKYZTESA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844026 1258393393 /nfs/dbraw/zinc/39/33/93/1258393393.db2.gz CXIFONJNNALPRB-KURKYZTESA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844026 1258393402 /nfs/dbraw/zinc/39/34/02/1258393402.db2.gz CXIFONJNNALPRB-KURKYZTESA-N 2 1 361.490 0.216 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084850982 1258399388 /nfs/dbraw/zinc/39/93/88/1258399388.db2.gz HHUQANFHDLBSTG-IAGOWNOFSA-N 2 1 363.506 0.420 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084990331 1258501465 /nfs/dbraw/zinc/50/14/65/1258501465.db2.gz QYJVRQYQCVEGNB-CVEARBPZSA-N 2 1 360.462 0.140 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084990331 1258501471 /nfs/dbraw/zinc/50/14/71/1258501471.db2.gz QYJVRQYQCVEGNB-CVEARBPZSA-N 2 1 360.462 0.140 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC001331306921 1266188548 /nfs/dbraw/zinc/18/85/48/1266188548.db2.gz ZXRNCOGMKBSYOF-RYQLBKOJSA-N 2 1 372.469 0.331 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC001331306921 1266188554 /nfs/dbraw/zinc/18/85/54/1266188554.db2.gz ZXRNCOGMKBSYOF-RYQLBKOJSA-N 2 1 372.469 0.331 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)CC1 ZINC001085062618 1258556878 /nfs/dbraw/zinc/55/68/78/1258556878.db2.gz ICRRNUFAMRYTGL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)CC1 ZINC001085062618 1258556885 /nfs/dbraw/zinc/55/68/85/1258556885.db2.gz ICRRNUFAMRYTGL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085064439 1258559614 /nfs/dbraw/zinc/55/96/14/1258559614.db2.gz BYMKXKHNJKCNMK-WBVHZDCISA-N 2 1 366.506 0.108 20 0 FCADMP Cn1cncc1CCC(=O)N1CC[C@H]2CCN(CC(=O)N3CCC3)[C@H]2C1 ZINC001085085728 1258578946 /nfs/dbraw/zinc/57/89/46/1258578946.db2.gz SSWWQYDYRKFYMA-WBVHZDCISA-N 2 1 359.474 0.508 20 0 FCADMP Cn1cncc1CCC(=O)N1CC[C@H]2CCN(CC(=O)NC3CC3)[C@H]2C1 ZINC001085085710 1258579128 /nfs/dbraw/zinc/57/91/28/1258579128.db2.gz QVCSJPWBEMEUSW-PBHICJAKSA-N 2 1 359.474 0.554 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093860 1258587645 /nfs/dbraw/zinc/58/76/45/1258587645.db2.gz HVTOFOLHDLJSEZ-IKGGRYGDSA-N 2 1 369.473 0.893 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093860 1258587649 /nfs/dbraw/zinc/58/76/49/1258587649.db2.gz HVTOFOLHDLJSEZ-IKGGRYGDSA-N 2 1 369.473 0.893 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092989 1258587813 /nfs/dbraw/zinc/58/78/13/1258587813.db2.gz YXJNMCOKVGJVIV-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092989 1258587821 /nfs/dbraw/zinc/58/78/21/1258587821.db2.gz YXJNMCOKVGJVIV-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)[C@H]3C2)C1 ZINC001085092989 1258587828 /nfs/dbraw/zinc/58/78/28/1258587828.db2.gz YXJNMCOKVGJVIV-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093355 1258588368 /nfs/dbraw/zinc/58/83/68/1258588368.db2.gz UPNPRRYGLFOUBJ-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093355 1258588373 /nfs/dbraw/zinc/58/83/73/1258588373.db2.gz UPNPRRYGLFOUBJ-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093355 1258588380 /nfs/dbraw/zinc/58/83/80/1258588380.db2.gz UPNPRRYGLFOUBJ-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085196721 1258627108 /nfs/dbraw/zinc/62/71/08/1258627108.db2.gz KZRLZXUNELRRAG-RBSFLKMASA-N 2 1 364.494 0.498 20 0 FCADMP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088170189 1258690644 /nfs/dbraw/zinc/69/06/44/1258690644.db2.gz HZXQIKQIBQUITJ-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)nn1 ZINC001088170189 1258690649 /nfs/dbraw/zinc/69/06/49/1258690649.db2.gz HZXQIKQIBQUITJ-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088170189 1258690658 /nfs/dbraw/zinc/69/06/58/1258690658.db2.gz HZXQIKQIBQUITJ-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)nn1 ZINC001088170189 1258690665 /nfs/dbraw/zinc/69/06/65/1258690665.db2.gz HZXQIKQIBQUITJ-BBWFWOEESA-N 2 1 360.506 0.920 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cc1=O ZINC001088171816 1258691188 /nfs/dbraw/zinc/69/11/88/1258691188.db2.gz IHDJMMMXAKVYOL-MSOLQXFVSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088211564 1258734528 /nfs/dbraw/zinc/73/45/28/1258734528.db2.gz PWYZVLMFMYTHJQ-SQNIBIBYSA-N 2 1 362.518 0.921 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)nn1 ZINC001088211286 1258734834 /nfs/dbraw/zinc/73/48/34/1258734834.db2.gz AWFVGHBPLRTMAE-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)nn1 ZINC001088211286 1258734838 /nfs/dbraw/zinc/73/48/38/1258734838.db2.gz AWFVGHBPLRTMAE-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724310 1258818553 /nfs/dbraw/zinc/81/85/53/1258818553.db2.gz KJNJBMXUJIXPQX-GZOSKZMVSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724310 1258818562 /nfs/dbraw/zinc/81/85/62/1258818562.db2.gz KJNJBMXUJIXPQX-GZOSKZMVSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724310 1258818570 /nfs/dbraw/zinc/81/85/70/1258818570.db2.gz KJNJBMXUJIXPQX-GZOSKZMVSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724310 1258818576 /nfs/dbraw/zinc/81/85/76/1258818576.db2.gz KJNJBMXUJIXPQX-GZOSKZMVSA-N 2 1 361.490 0.688 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331453328 1266218534 /nfs/dbraw/zinc/21/85/34/1266218534.db2.gz IWYILMUOXBXLIV-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106578048 1258926270 /nfs/dbraw/zinc/92/62/70/1258926270.db2.gz YFPVMXYYQVYLKP-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106578048 1258926276 /nfs/dbraw/zinc/92/62/76/1258926276.db2.gz YFPVMXYYQVYLKP-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001106666466 1258936691 /nfs/dbraw/zinc/93/66/91/1258936691.db2.gz LTAOKGQMFWNVQV-HDMKZQKVSA-N 2 1 362.522 0.921 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665453 1258936930 /nfs/dbraw/zinc/93/69/30/1258936930.db2.gz XAVPQECDAGFKMD-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106672548 1258938668 /nfs/dbraw/zinc/93/86/68/1258938668.db2.gz CKJBSQBIFAEFFS-HZPDHXFCSA-N 2 1 367.538 0.674 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106765568 1258957758 /nfs/dbraw/zinc/95/77/58/1258957758.db2.gz JAQCVCNNMACMMG-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106766963 1258958111 /nfs/dbraw/zinc/95/81/11/1258958111.db2.gz XVUFLHBGIFVWSX-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001106767531 1258958272 /nfs/dbraw/zinc/95/82/72/1258958272.db2.gz GUGKXXPXQZIXON-IAGOWNOFSA-N 2 1 363.506 0.369 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1 ZINC001106783854 1258962520 /nfs/dbraw/zinc/96/25/20/1258962520.db2.gz YAJQUOCXFPCFMX-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106903970 1258992685 /nfs/dbraw/zinc/99/26/85/1258992685.db2.gz UAGPCBHRBFYUCU-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106910994 1258994443 /nfs/dbraw/zinc/99/44/43/1258994443.db2.gz ZNUVBIAOFVYFPS-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)no1 ZINC001106981309 1259010556 /nfs/dbraw/zinc/01/05/56/1259010556.db2.gz IQUHJGHCWAVABZ-BPLDGKMQSA-N 2 1 363.462 0.557 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986366 1259011879 /nfs/dbraw/zinc/01/18/79/1259011879.db2.gz MBYWUYVXTUOYAQ-RHSMWYFYSA-N 2 1 365.478 0.028 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001107008910 1259017302 /nfs/dbraw/zinc/01/73/02/1259017302.db2.gz BSERHJXOPNASSQ-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001107008910 1259017310 /nfs/dbraw/zinc/01/73/10/1259017310.db2.gz BSERHJXOPNASSQ-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001107042566 1259024219 /nfs/dbraw/zinc/02/42/19/1259024219.db2.gz SEAWZZZDQRTHPL-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1N1CC[NH+](C)CC1 ZINC001331502075 1266229282 /nfs/dbraw/zinc/22/92/82/1266229282.db2.gz AKCWCLZVMHQENU-KRWDZBQOSA-N 2 1 361.490 0.935 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC001107534316 1259111167 /nfs/dbraw/zinc/11/11/67/1259111167.db2.gz RUODHHCWCVLLHY-ZHALLVOQSA-N 2 1 363.506 0.557 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(=O)NC)CC2 ZINC001107598838 1259129283 /nfs/dbraw/zinc/12/92/83/1259129283.db2.gz ZOKVTITXXOUMLH-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2 ZINC001107598838 1259129287 /nfs/dbraw/zinc/12/92/87/1259129287.db2.gz ZOKVTITXXOUMLH-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2 ZINC001107598838 1259129292 /nfs/dbraw/zinc/12/92/92/1259129292.db2.gz ZOKVTITXXOUMLH-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccn1)CC2 ZINC001107609613 1259133609 /nfs/dbraw/zinc/13/36/09/1259133609.db2.gz YSWCHPSWWDQDRM-VQIMIIECSA-N 2 1 361.490 0.916 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncccn1)CC2 ZINC001107609613 1259133613 /nfs/dbraw/zinc/13/36/13/1259133613.db2.gz YSWCHPSWWDQDRM-VQIMIIECSA-N 2 1 361.490 0.916 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107634098 1259140671 /nfs/dbraw/zinc/14/06/71/1259140671.db2.gz KKZPPUZYERWEMK-FRQCXROJSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CCNC(=O)C1CC1)CC2 ZINC001107633780 1259140692 /nfs/dbraw/zinc/14/06/92/1259140692.db2.gz CALBVALSMNSLQC-YLJYHZDGSA-N 2 1 362.518 0.969 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107634183 1259140914 /nfs/dbraw/zinc/14/09/14/1259140914.db2.gz OHGWRRUCXFAZDU-VQIMIIECSA-N 2 1 359.474 0.785 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107634183 1259140919 /nfs/dbraw/zinc/14/09/19/1259140919.db2.gz OHGWRRUCXFAZDU-VQIMIIECSA-N 2 1 359.474 0.785 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538236 1259163611 /nfs/dbraw/zinc/16/36/11/1259163611.db2.gz WWJDTGFXLKFLAH-KXBFYZLASA-N 2 1 361.490 0.971 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1C ZINC001127643719 1259183141 /nfs/dbraw/zinc/18/31/41/1259183141.db2.gz IRAHSXRXSIEFLD-FMKPAKJESA-N 2 1 362.449 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001127659494 1259184862 /nfs/dbraw/zinc/18/48/62/1259184862.db2.gz DJUQLPSWCRFHNT-NVXWUHKLSA-N 2 1 371.489 0.641 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001331576418 1266240553 /nfs/dbraw/zinc/24/05/53/1266240553.db2.gz ZSGSKFMYLRVJEO-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)c1cc[nH+]cc1 ZINC001129081056 1259306419 /nfs/dbraw/zinc/30/64/19/1259306419.db2.gz UPWJSACQEFTQPG-MSOLQXFVSA-N 2 1 369.473 0.951 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129205500 1259344669 /nfs/dbraw/zinc/34/46/69/1259344669.db2.gz VXRJIRWACUHXDR-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129209495 1259345398 /nfs/dbraw/zinc/34/53/98/1259345398.db2.gz HAEMTHCQPPZKFU-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233241 1259350379 /nfs/dbraw/zinc/35/03/79/1259350379.db2.gz KATVBSHZKHWKMA-IXDOHACOSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276677 1259363987 /nfs/dbraw/zinc/36/39/87/1259363987.db2.gz RQEXYJWLHCYINQ-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276677 1259363991 /nfs/dbraw/zinc/36/39/91/1259363991.db2.gz RQEXYJWLHCYINQ-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276677 1259363996 /nfs/dbraw/zinc/36/39/96/1259363996.db2.gz RQEXYJWLHCYINQ-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130251153 1259375521 /nfs/dbraw/zinc/37/55/21/1259375521.db2.gz FBLLLUJZIFTFFJ-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130251153 1259375529 /nfs/dbraw/zinc/37/55/29/1259375529.db2.gz FBLLLUJZIFTFFJ-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130251153 1259375535 /nfs/dbraw/zinc/37/55/35/1259375535.db2.gz FBLLLUJZIFTFFJ-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130251153 1259375540 /nfs/dbraw/zinc/37/55/40/1259375540.db2.gz FBLLLUJZIFTFFJ-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130251153 1259375550 /nfs/dbraw/zinc/37/55/50/1259375550.db2.gz FBLLLUJZIFTFFJ-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199023332 1259413103 /nfs/dbraw/zinc/41/31/03/1259413103.db2.gz FPHGLUAQAUSMBA-QZTJIDSGSA-N 2 1 363.506 0.483 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001200651822 1259419301 /nfs/dbraw/zinc/41/93/01/1259419301.db2.gz NTEKJFGMLAHYCX-FGTMMUONSA-N 2 1 371.522 0.321 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635628 1259419482 /nfs/dbraw/zinc/41/94/82/1259419482.db2.gz BHAODSWQXPCXEU-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408097 1259493080 /nfs/dbraw/zinc/49/30/80/1259493080.db2.gz LZZJIUDIEDUFRB-GVDBMIGSSA-N 2 1 369.506 0.482 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212483545 1259519223 /nfs/dbraw/zinc/51/92/23/1259519223.db2.gz MDTAXPYQZBROIM-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212483545 1259519226 /nfs/dbraw/zinc/51/92/26/1259519226.db2.gz MDTAXPYQZBROIM-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212483545 1259519229 /nfs/dbraw/zinc/51/92/29/1259519229.db2.gz MDTAXPYQZBROIM-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212483287 1259520120 /nfs/dbraw/zinc/52/01/20/1259520120.db2.gz FMIKAFOBPDSDRP-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212483287 1259520122 /nfs/dbraw/zinc/52/01/22/1259520122.db2.gz FMIKAFOBPDSDRP-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212483287 1259520125 /nfs/dbraw/zinc/52/01/25/1259520125.db2.gz FMIKAFOBPDSDRP-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212483287 1259520126 /nfs/dbraw/zinc/52/01/26/1259520126.db2.gz FMIKAFOBPDSDRP-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212495439 1259525396 /nfs/dbraw/zinc/52/53/96/1259525396.db2.gz GEZUVOXDLYDWMY-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212495439 1259525401 /nfs/dbraw/zinc/52/54/01/1259525401.db2.gz GEZUVOXDLYDWMY-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212495439 1259525404 /nfs/dbraw/zinc/52/54/04/1259525404.db2.gz GEZUVOXDLYDWMY-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212495439 1259525407 /nfs/dbraw/zinc/52/54/07/1259525407.db2.gz GEZUVOXDLYDWMY-IAGOWNOFSA-N 2 1 371.522 0.464 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)on1 ZINC001215536026 1259534685 /nfs/dbraw/zinc/53/46/85/1259534685.db2.gz DUCYYOVCLXEEND-BPLDGKMQSA-N 2 1 363.462 0.842 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOCCNC(C)=O)CC[N@H+]1C ZINC001234413161 1259559857 /nfs/dbraw/zinc/55/98/57/1259559857.db2.gz HDIYPVGLGZXUKT-FGTMMUONSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCOCCNC(C)=O)CC[NH+]1C ZINC001234413161 1259559862 /nfs/dbraw/zinc/55/98/62/1259559862.db2.gz HDIYPVGLGZXUKT-FGTMMUONSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCOCCNC(C)=O)CC[NH+]1C ZINC001234413161 1259559866 /nfs/dbraw/zinc/55/98/66/1259559866.db2.gz HDIYPVGLGZXUKT-FGTMMUONSA-N 2 1 368.522 0.402 20 0 FCADMP CCOC(=O)COc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1OC ZINC001234990179 1259566319 /nfs/dbraw/zinc/56/63/19/1259566319.db2.gz RIIUAFSWCDDOFA-LJQANCHMSA-N 2 1 363.458 0.774 20 0 FCADMP COCCN1CC[N@H+](C)C2(CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC001235455566 1259572443 /nfs/dbraw/zinc/57/24/43/1259572443.db2.gz WVNFLXIWKFSJID-LJQANCHMSA-N 2 1 374.529 0.811 20 0 FCADMP COCCN1CC[N@@H+](C)C2(CCN(C[C@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC001235455566 1259572452 /nfs/dbraw/zinc/57/24/52/1259572452.db2.gz WVNFLXIWKFSJID-LJQANCHMSA-N 2 1 374.529 0.811 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC3)CC1 ZINC001235640636 1259580775 /nfs/dbraw/zinc/58/07/75/1259580775.db2.gz ZYZHEYFKRQIIIS-HNNXBMFYSA-N 2 1 360.506 0.354 20 0 FCADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH2+]CCNCC[NH2+]CC3)C2)cc1 ZINC001235868341 1259581851 /nfs/dbraw/zinc/58/18/51/1259581851.db2.gz CPMHMIWQUJFFLU-NRFANRHFSA-N 3 1 359.562 0.983 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccnc(N4CCC([NH3+])CC4)n3)cn2)CC1 ZINC001235913082 1259583516 /nfs/dbraw/zinc/58/35/16/1259583516.db2.gz GGJOIXWHFOKDJF-UHFFFAOYSA-N 2 1 354.462 0.613 20 0 FCADMP COC(=O)c1cccc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)n1 ZINC001236031324 1259587384 /nfs/dbraw/zinc/58/73/84/1259587384.db2.gz TXHAJFFPFOBTGX-JUIVLLAYSA-N 2 1 359.426 0.699 20 0 FCADMP COC(=O)[C@H](N)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236279512 1259588868 /nfs/dbraw/zinc/58/88/68/1259588868.db2.gz YOYYNRMKQVPBEA-RTBURBONSA-N 2 1 360.502 0.804 20 0 FCADMP C[NH+]1CCN(c2cccc(C[NH+]3CCN(c4ncncn4)CC3)c2)CC1 ZINC001236893420 1259593505 /nfs/dbraw/zinc/59/35/05/1259593505.db2.gz JEOLRBDKLIODII-UHFFFAOYSA-N 2 1 353.474 0.946 20 0 FCADMP O[C@H](CNC1(Cc2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245996393 1259642973 /nfs/dbraw/zinc/64/29/73/1259642973.db2.gz AJTTZGRWAQYBMX-SFHVURJKSA-N 2 1 365.493 0.946 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246004280 1259643950 /nfs/dbraw/zinc/64/39/50/1259643950.db2.gz KMLAXOUMDFDLOS-YTQUADARSA-N 2 1 368.472 0.611 20 0 FCADMP [NH3+]CCC[C@H](NC[C@H](O)C[NH+]1CCOCC1)C(=O)OCc1ccccc1 ZINC001246005206 1259644161 /nfs/dbraw/zinc/64/41/61/1259644161.db2.gz DSGQHYNMSSVQSL-ROUUACIJSA-N 2 1 365.474 0.120 20 0 FCADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001246480608 1259654325 /nfs/dbraw/zinc/65/43/25/1259654325.db2.gz GMQLJJLBNQQZPH-RANZSIQMSA-N 2 1 360.502 0.954 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246582209 1259656707 /nfs/dbraw/zinc/65/67/07/1259656707.db2.gz VFNDEXJQHZVZLZ-MWDXBVQZSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246582209 1259656720 /nfs/dbraw/zinc/65/67/20/1259656720.db2.gz VFNDEXJQHZVZLZ-MWDXBVQZSA-N 2 1 361.442 0.084 20 0 FCADMP COc1ccc(CN2CC[C@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641958 1259657218 /nfs/dbraw/zinc/65/72/18/1259657218.db2.gz KHYAIRSWNSINAK-FXAWDEMLSA-N 2 1 358.486 0.824 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680575 1259658673 /nfs/dbraw/zinc/65/86/73/1259658673.db2.gz VWCCCTBEWMFVKD-PVAVHDDUSA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680575 1259658681 /nfs/dbraw/zinc/65/86/81/1259658681.db2.gz VWCCCTBEWMFVKD-PVAVHDDUSA-N 2 1 367.490 0.629 20 0 FCADMP CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690754 1259659979 /nfs/dbraw/zinc/65/99/79/1259659979.db2.gz WULBKDFDRFATRZ-WIYYLYMNSA-N 2 1 369.513 0.504 20 0 FCADMP O=C(c1cnccn1)N1CCC2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246696368 1259661755 /nfs/dbraw/zinc/66/17/55/1259661755.db2.gz RKNXZIUHGTYMJQ-MRXNPFEDSA-N 2 1 370.501 0.499 20 0 FCADMP O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246700170 1259661903 /nfs/dbraw/zinc/66/19/03/1259661903.db2.gz BVSZPLLYMHAJKL-VDHUWJSZSA-N 2 1 371.485 0.594 20 0 FCADMP Cn1nc(C(=O)N2CCCC2)c2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246701121 1259663618 /nfs/dbraw/zinc/66/36/18/1259663618.db2.gz NEJQLODICDXEBW-CQSZACIVSA-N 2 1 358.490 0.108 20 0 FCADMP c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246710729 1259665492 /nfs/dbraw/zinc/66/54/92/1259665492.db2.gz PYAANVAMQVMTNP-CADBVGFASA-N 2 1 358.486 0.924 20 0 FCADMP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713375 1259666390 /nfs/dbraw/zinc/66/63/90/1259666390.db2.gz ZXFABOZYFRYBBF-RDJZCZTQSA-N 2 1 360.506 0.593 20 0 FCADMP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713375 1259666400 /nfs/dbraw/zinc/66/64/00/1259666400.db2.gz ZXFABOZYFRYBBF-RDJZCZTQSA-N 2 1 360.506 0.593 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CN1 ZINC001246706916 1259666862 /nfs/dbraw/zinc/66/68/62/1259666862.db2.gz DEHMPJUQLXQETM-WBVHZDCISA-N 2 1 361.490 0.631 20 0 FCADMP CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246716570 1259667452 /nfs/dbraw/zinc/66/74/52/1259667452.db2.gz BOCCRSAJEQDMQL-SQGPQFPESA-N 2 1 364.534 0.866 20 0 FCADMP O=C([C@@H]1Cn2nccc2C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724846 1259669834 /nfs/dbraw/zinc/66/98/34/1259669834.db2.gz ZHFZMKNCFLGZPC-JKSUJKDBSA-N 2 1 358.490 0.031 20 0 FCADMP O=C([C@@H]1Cn2nccc2C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724846 1259669843 /nfs/dbraw/zinc/66/98/43/1259669843.db2.gz ZHFZMKNCFLGZPC-JKSUJKDBSA-N 2 1 358.490 0.031 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461517 1259671958 /nfs/dbraw/zinc/67/19/58/1259671958.db2.gz WKKCPGDGFOOKFI-HRCADAONSA-N 2 1 352.479 0.308 20 0 FCADMP CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751779 1259678781 /nfs/dbraw/zinc/67/87/81/1259678781.db2.gz CQTICTBFHIEICS-ABSDTBQOSA-N 2 1 372.517 0.630 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C[NH2+]1 ZINC001246748193 1259680763 /nfs/dbraw/zinc/68/07/63/1259680763.db2.gz BHWXAKVULQEQOQ-IRXDYDNUSA-N 2 1 361.490 0.754 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C[NH2+]1 ZINC001246748193 1259680769 /nfs/dbraw/zinc/68/07/69/1259680769.db2.gz BHWXAKVULQEQOQ-IRXDYDNUSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756788 1259681957 /nfs/dbraw/zinc/68/19/57/1259681957.db2.gz XSPMYXCQRKEAGR-QRIFCXAISA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756788 1259681967 /nfs/dbraw/zinc/68/19/67/1259681967.db2.gz XSPMYXCQRKEAGR-QRIFCXAISA-N 2 1 361.490 0.627 20 0 FCADMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755803 1259682201 /nfs/dbraw/zinc/68/22/01/1259682201.db2.gz UIGFOLKGZBFQCC-VAMGGRTRSA-N 3 1 371.529 0.698 20 0 FCADMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755803 1259682210 /nfs/dbraw/zinc/68/22/10/1259682210.db2.gz UIGFOLKGZBFQCC-VAMGGRTRSA-N 3 1 371.529 0.698 20 0 FCADMP c1cc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755803 1259682217 /nfs/dbraw/zinc/68/22/17/1259682217.db2.gz UIGFOLKGZBFQCC-VAMGGRTRSA-N 3 1 371.529 0.698 20 0 FCADMP c1cc(CN2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755803 1259682225 /nfs/dbraw/zinc/68/22/25/1259682225.db2.gz UIGFOLKGZBFQCC-VAMGGRTRSA-N 2 1 371.529 0.698 20 0 FCADMP c1cc(CN2CCO[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)ccn1 ZINC001246755803 1259682232 /nfs/dbraw/zinc/68/22/32/1259682232.db2.gz UIGFOLKGZBFQCC-VAMGGRTRSA-N 2 1 371.529 0.698 20 0 FCADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756786 1259682792 /nfs/dbraw/zinc/68/27/92/1259682792.db2.gz XSPMYXCQRKEAGR-PEJOBZMASA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)CC[NH2+]1 ZINC001246756786 1259682800 /nfs/dbraw/zinc/68/28/00/1259682800.db2.gz XSPMYXCQRKEAGR-PEJOBZMASA-N 2 1 361.490 0.627 20 0 FCADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761309 1259683442 /nfs/dbraw/zinc/68/34/42/1259683442.db2.gz OHIBIZNOAYVSJQ-CGBFIWBNSA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761309 1259683451 /nfs/dbraw/zinc/68/34/51/1259683451.db2.gz OHIBIZNOAYVSJQ-CGBFIWBNSA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761309 1259683462 /nfs/dbraw/zinc/68/34/62/1259683462.db2.gz OHIBIZNOAYVSJQ-CGBFIWBNSA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246761309 1259683472 /nfs/dbraw/zinc/68/34/72/1259683472.db2.gz OHIBIZNOAYVSJQ-CGBFIWBNSA-N 2 1 365.518 0.960 20 0 FCADMP O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766038 1259683675 /nfs/dbraw/zinc/68/36/75/1259683675.db2.gz OKCVTUGVPPAAOI-UZLBHIALSA-N 2 1 374.485 0.681 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246769240 1259685588 /nfs/dbraw/zinc/68/55/88/1259685588.db2.gz QZGLONYRUBHPLH-SJPCQFCGSA-N 2 1 358.486 0.620 20 0 FCADMP c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766306 1259685802 /nfs/dbraw/zinc/68/58/02/1259685802.db2.gz MONOWEGBNPQOPS-YLFCFFPRSA-N 2 1 359.474 0.429 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCO[C@H]12 ZINC001246768199 1259686233 /nfs/dbraw/zinc/68/62/33/1259686233.db2.gz RRXWMPCYTBKBFD-CBZGLNDISA-N 2 1 359.474 0.665 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCCn3cnc(COCC[NH+](C)C)c3C2)C[NH2+]1 ZINC001246769637 1259687710 /nfs/dbraw/zinc/68/77/10/1259687710.db2.gz WYJAQKVICKRHQY-GJZGRUSLSA-N 2 1 365.478 0.071 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246903278 1259694921 /nfs/dbraw/zinc/69/49/21/1259694921.db2.gz JQXJMBIPMFOVPR-BDZKXGRMSA-N 2 1 359.470 0.993 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001246903278 1259694931 /nfs/dbraw/zinc/69/49/31/1259694931.db2.gz JQXJMBIPMFOVPR-BDZKXGRMSA-N 2 1 359.470 0.993 20 0 FCADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005755 1259697933 /nfs/dbraw/zinc/69/79/33/1259697933.db2.gz GGNSKEABLURJGA-KFWWJZLASA-N 2 1 367.490 0.533 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC1 ZINC001251188988 1259740340 /nfs/dbraw/zinc/74/03/40/1259740340.db2.gz FIKMSUCFYRRGGB-SFHVURJKSA-N 2 1 361.486 0.912 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251452666 1259748389 /nfs/dbraw/zinc/74/83/89/1259748389.db2.gz BDFCZQPXIDBDBG-SFHVURJKSA-N 2 1 370.494 0.112 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252933595 1259812264 /nfs/dbraw/zinc/81/22/64/1259812264.db2.gz LMPQNEWAWLARMY-CTNGQTDRSA-N 2 1 374.529 0.766 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CC1(O)CCOCC1)CCC2 ZINC001252961642 1259816991 /nfs/dbraw/zinc/81/69/91/1259816991.db2.gz WDZMFKNNUBGARL-UHFFFAOYSA-N 2 1 364.490 0.831 20 0 FCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CC1(O)CCOCC1)CCC2 ZINC001252961642 1259816996 /nfs/dbraw/zinc/81/69/96/1259816996.db2.gz WDZMFKNNUBGARL-UHFFFAOYSA-N 2 1 364.490 0.831 20 0 FCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CC1(O)CCOCC1)CCC2 ZINC001252961642 1259817001 /nfs/dbraw/zinc/81/70/01/1259817001.db2.gz WDZMFKNNUBGARL-UHFFFAOYSA-N 2 1 364.490 0.831 20 0 FCADMP CC[NH+](CC)C[C@@H](O)CN1CCC2(CC1)C(=O)N(CC(C)C)CC[N@H+]2C ZINC001253184831 1259827116 /nfs/dbraw/zinc/82/71/16/1259827116.db2.gz LJPLNGCKHBCNTD-GOSISDBHSA-N 2 1 368.566 0.954 20 0 FCADMP CC[NH+](CC)C[C@@H](O)CN1CCC2(CC1)C(=O)N(CC(C)C)CC[N@@H+]2C ZINC001253184831 1259827121 /nfs/dbraw/zinc/82/71/21/1259827121.db2.gz LJPLNGCKHBCNTD-GOSISDBHSA-N 2 1 368.566 0.954 20 0 FCADMP CCOC(=O)CN1CCC(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC001254412853 1259882795 /nfs/dbraw/zinc/88/27/95/1259882795.db2.gz VZQVLDWRYOPSIZ-UHFFFAOYSA-N 2 1 366.550 0.973 20 0 FCADMP Cn1nnc2c1CCN([C@H]1CCC[N@@H+](C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001255490558 1259916090 /nfs/dbraw/zinc/91/60/90/1259916090.db2.gz UGXIINJBSLQNOC-FUHWJXTLSA-N 2 1 362.522 0.921 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H](C)CC(=O)N1CCOCC1)CC2 ZINC001256337276 1259947212 /nfs/dbraw/zinc/94/72/12/1259947212.db2.gz XVGZQPVCSJMWFX-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H](C)CC(=O)N1CCOCC1)CC2 ZINC001256337276 1259947216 /nfs/dbraw/zinc/94/72/16/1259947216.db2.gz XVGZQPVCSJMWFX-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001336034938 1259953052 /nfs/dbraw/zinc/95/30/52/1259953052.db2.gz LSJFCAPBPHSNEI-IKGGRYGDSA-N 2 1 360.506 0.747 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001522012408 1266298783 /nfs/dbraw/zinc/29/87/83/1266298783.db2.gz ZBIBTZUFLMMHCR-SJLPKXTDSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001522012408 1266298790 /nfs/dbraw/zinc/29/87/90/1266298790.db2.gz ZBIBTZUFLMMHCR-SJLPKXTDSA-N 2 1 367.538 0.103 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001261127195 1260078101 /nfs/dbraw/zinc/07/81/01/1260078101.db2.gz IPSHAWCGVVHTAB-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001261127195 1260078108 /nfs/dbraw/zinc/07/81/08/1260078108.db2.gz IPSHAWCGVVHTAB-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1C ZINC001261134352 1260081854 /nfs/dbraw/zinc/08/18/54/1260081854.db2.gz TUDKCMYJZCYHNL-MWQQHZPXSA-N 2 1 366.506 0.079 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC001261524059 1260154328 /nfs/dbraw/zinc/15/43/28/1260154328.db2.gz PLKNYXXHADURCE-RXVVDRJESA-N 2 1 370.497 0.748 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC001261524059 1260154332 /nfs/dbraw/zinc/15/43/32/1260154332.db2.gz PLKNYXXHADURCE-RXVVDRJESA-N 2 1 370.497 0.748 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001336719871 1260207353 /nfs/dbraw/zinc/20/73/53/1260207353.db2.gz AUWSSXDNDOCUCR-SJORKVTESA-N 2 1 368.522 0.801 20 0 FCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001336733955 1260211526 /nfs/dbraw/zinc/21/15/26/1260211526.db2.gz DBFZCAXZPSPPCB-IRXDYDNUSA-N 2 1 367.538 0.947 20 0 FCADMP C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H]1CC[NH3+] ZINC001336820901 1260230414 /nfs/dbraw/zinc/23/04/14/1260230414.db2.gz WRVAOIXKBXRYAB-KURKYZTESA-N 2 1 367.538 0.552 20 0 FCADMP COC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC001336869137 1260242257 /nfs/dbraw/zinc/24/22/57/1260242257.db2.gz XRLDQJXRVNVRSB-XWTMOSNGSA-N 2 1 366.506 0.791 20 0 FCADMP C[NH+]1CCN(C2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC001262007167 1260244783 /nfs/dbraw/zinc/24/47/83/1260244783.db2.gz WHWMWOMRHKBMDH-SFHVURJKSA-N 2 1 360.506 0.660 20 0 FCADMP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001336908016 1260250573 /nfs/dbraw/zinc/25/05/73/1260250573.db2.gz MXIJPTQYVAOZSO-LPHOPBHVSA-N 2 1 366.506 0.781 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071241 1260256083 /nfs/dbraw/zinc/25/60/83/1260256083.db2.gz UTVUDXOFAQTPLU-DZJNRPSUSA-N 2 1 358.486 0.724 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001336975330 1260273359 /nfs/dbraw/zinc/27/33/59/1260273359.db2.gz NBLXDVDTSIJFFF-QXAKKESOSA-N 2 1 373.501 0.317 20 0 FCADMP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337016928 1260286399 /nfs/dbraw/zinc/28/63/99/1260286399.db2.gz YPWFVLBXYIBKEQ-IAGOWNOFSA-N 2 1 353.511 0.224 20 0 FCADMP Cn1cc(C2=NO[C@@H](C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)C2)cn1 ZINC001337088088 1260306971 /nfs/dbraw/zinc/30/69/71/1260306971.db2.gz QWMINVHHHMEEOZ-QGZVFWFLSA-N 2 1 369.429 0.699 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001264004169 1260361772 /nfs/dbraw/zinc/36/17/72/1260361772.db2.gz NGGNOSQJEBLKMR-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001337440558 1260402358 /nfs/dbraw/zinc/40/23/58/1260402358.db2.gz IBMSKOUUBZWAPB-DKIMLUQUSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001337440558 1260402362 /nfs/dbraw/zinc/40/23/62/1260402362.db2.gz IBMSKOUUBZWAPB-DKIMLUQUSA-N 2 1 374.485 0.246 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650332 1260443855 /nfs/dbraw/zinc/44/38/55/1260443855.db2.gz FEJNYIVBPVOIRI-VQIMIIECSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CCC[NH+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209837 1260623591 /nfs/dbraw/zinc/62/35/91/1260623591.db2.gz HXWOUYVWIKPOGB-KRWDZBQOSA-N 2 1 361.490 0.945 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC3(CCC[NH+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209837 1260623598 /nfs/dbraw/zinc/62/35/98/1260623598.db2.gz HXWOUYVWIKPOGB-KRWDZBQOSA-N 2 1 361.490 0.945 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209837 1260623607 /nfs/dbraw/zinc/62/36/07/1260623607.db2.gz HXWOUYVWIKPOGB-KRWDZBQOSA-N 2 1 361.490 0.945 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001273209837 1260623614 /nfs/dbraw/zinc/62/36/14/1260623614.db2.gz HXWOUYVWIKPOGB-KRWDZBQOSA-N 2 1 361.490 0.945 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001278472012 1260696360 /nfs/dbraw/zinc/69/63/60/1260696360.db2.gz ZGEKWHWBOOZBMR-IAGOWNOFSA-N 2 1 360.502 0.674 20 0 FCADMP COCCn1cc(C[N@H+]2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)cn1 ZINC001278712854 1260720035 /nfs/dbraw/zinc/72/00/35/1260720035.db2.gz OJCQXGJDQRBGNH-LJQANCHMSA-N 2 1 365.522 0.758 20 0 FCADMP CCN(C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H]1CC[NH2+]C1 ZINC001332235859 1266363996 /nfs/dbraw/zinc/36/39/96/1266363996.db2.gz QRTJIWMXLIDKTB-HNNXBMFYSA-N 2 1 356.430 0.402 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc5c(n4)OCCO5)CC3)[C@H]2C1 ZINC001279527309 1260884493 /nfs/dbraw/zinc/88/44/93/1260884493.db2.gz WRBCGPMWCSXTIJ-GJZGRUSLSA-N 2 1 358.442 0.495 20 0 FCADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc5c(n4)OCCO5)CC3)[C@H]2C1 ZINC001279527309 1260884494 /nfs/dbraw/zinc/88/44/94/1260884494.db2.gz WRBCGPMWCSXTIJ-GJZGRUSLSA-N 2 1 358.442 0.495 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc5c(n4)OCCO5)CC3)[C@H]2C1 ZINC001279527309 1260884498 /nfs/dbraw/zinc/88/44/98/1260884498.db2.gz WRBCGPMWCSXTIJ-GJZGRUSLSA-N 2 1 358.442 0.495 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001279618723 1260902061 /nfs/dbraw/zinc/90/20/61/1260902061.db2.gz ZLZUKANLZWSXTH-MKXGPGLRSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001279618723 1260902064 /nfs/dbraw/zinc/90/20/64/1260902064.db2.gz ZLZUKANLZWSXTH-MKXGPGLRSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001279618725 1260902145 /nfs/dbraw/zinc/90/21/45/1260902145.db2.gz ZLZUKANLZWSXTH-RDGPPVDQSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001279618725 1260902149 /nfs/dbraw/zinc/90/21/49/1260902149.db2.gz ZLZUKANLZWSXTH-RDGPPVDQSA-N 2 1 363.502 0.809 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](Cc4cccc(O)c4)C[C@H]23)CC1 ZINC001279726208 1260922850 /nfs/dbraw/zinc/92/28/50/1260922850.db2.gz QGBKJGRREKQWLT-DLBZAZTESA-N 2 1 358.442 0.789 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](Cc4cccc(O)c4)C[C@H]23)CC1 ZINC001279726208 1260922855 /nfs/dbraw/zinc/92/28/55/1260922855.db2.gz QGBKJGRREKQWLT-DLBZAZTESA-N 2 1 358.442 0.789 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892311 1260953194 /nfs/dbraw/zinc/95/31/94/1260953194.db2.gz FUDUBUKMJDIFPR-YJBOKZPZSA-N 2 1 361.490 0.877 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C4CCN(C)CC4)CC3)[C@H]2C1 ZINC001280070923 1260989475 /nfs/dbraw/zinc/98/94/75/1260989475.db2.gz FVFOHVOOFVWFBT-ROUUACIJSA-N 2 1 363.550 0.155 20 0 FCADMP O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1)NC1CC1 ZINC001280071647 1260990409 /nfs/dbraw/zinc/99/04/09/1260990409.db2.gz WRZMMZJDWBVPAS-QGZVFWFLSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1)NC1CC1 ZINC001280071647 1260990417 /nfs/dbraw/zinc/99/04/17/1260990417.db2.gz WRZMMZJDWBVPAS-QGZVFWFLSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1)NC1CC1 ZINC001280071646 1260991015 /nfs/dbraw/zinc/99/10/15/1260991015.db2.gz WRZMMZJDWBVPAS-KRWDZBQOSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1)NC1CC1 ZINC001280071646 1260991018 /nfs/dbraw/zinc/99/10/18/1260991018.db2.gz WRZMMZJDWBVPAS-KRWDZBQOSA-N 2 1 360.502 0.674 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2cnc[nH]2)CC1 ZINC001280125497 1261011303 /nfs/dbraw/zinc/01/13/03/1261011303.db2.gz KNVAOMLYMQMGIO-QGZVFWFLSA-N 2 1 361.490 0.706 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001280139940 1261014336 /nfs/dbraw/zinc/01/43/36/1261014336.db2.gz FRUZHZNQOGNDEE-MUJYYYPQSA-N 2 1 361.494 0.839 20 0 FCADMP Cn1nccc1CNC(=O)c1n[nH]c2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280138348 1261014522 /nfs/dbraw/zinc/01/45/22/1261014522.db2.gz WUTVAJBFELKTGB-UHFFFAOYSA-N 2 1 357.462 0.431 20 0 FCADMP Cn1nccc1CNC(=O)c1n[nH]c2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280138348 1261014523 /nfs/dbraw/zinc/01/45/23/1261014523.db2.gz WUTVAJBFELKTGB-UHFFFAOYSA-N 2 1 357.462 0.431 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)CO)CC3)[C@H]2C1 ZINC001280187007 1261024319 /nfs/dbraw/zinc/02/43/19/1261024319.db2.gz BDGNHZDHFYHPIY-HOTGVXAUSA-N 2 1 369.506 0.138 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332417 1266379190 /nfs/dbraw/zinc/37/91/90/1266379190.db2.gz PLRQVAVGFJXYJO-CIRFHOKZSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332417 1266379201 /nfs/dbraw/zinc/37/92/01/1266379201.db2.gz PLRQVAVGFJXYJO-CIRFHOKZSA-N 2 1 358.486 0.961 20 0 FCADMP CCNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215140 1261036570 /nfs/dbraw/zinc/03/65/70/1261036570.db2.gz KWGSYAIFJJETJD-FXAWDEMLSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4COc5ccccc5O4)CC3)[C@H]2C1 ZINC001280227942 1261040500 /nfs/dbraw/zinc/04/05/00/1261040500.db2.gz MDKYPMCXYZELAT-JYJNAYRXSA-N 2 1 357.454 0.969 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280272423 1261045570 /nfs/dbraw/zinc/04/55/70/1261045570.db2.gz LLGTUWPAWFPVRY-YLJYHZDGSA-N 2 1 362.518 0.777 20 0 FCADMP Cn1cncc1C[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280290893 1261048860 /nfs/dbraw/zinc/04/88/60/1261048860.db2.gz GLQBNVHPFQTXOT-QGZVFWFLSA-N 2 1 361.490 0.469 20 0 FCADMP C[NH2+][C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC001522171999 1266396519 /nfs/dbraw/zinc/39/65/19/1266396519.db2.gz MCGITWGFVIUISI-MRXNPFEDSA-N 2 1 358.446 0.611 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1O ZINC001281916664 1261284305 /nfs/dbraw/zinc/28/43/05/1261284305.db2.gz ZCELBRIAPXUUED-CVEARBPZSA-N 2 1 370.538 0.384 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001281916664 1261284309 /nfs/dbraw/zinc/28/43/09/1261284309.db2.gz ZCELBRIAPXUUED-CVEARBPZSA-N 2 1 370.538 0.384 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001281916664 1261284311 /nfs/dbraw/zinc/28/43/11/1261284311.db2.gz ZCELBRIAPXUUED-CVEARBPZSA-N 2 1 370.538 0.384 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001332519676 1266422270 /nfs/dbraw/zinc/42/22/70/1266422270.db2.gz HRNPWUFUFTZBQQ-SJORKVTESA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001332519676 1266422275 /nfs/dbraw/zinc/42/22/75/1266422275.db2.gz HRNPWUFUFTZBQQ-SJORKVTESA-N 2 1 362.526 0.374 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001332519676 1266422280 /nfs/dbraw/zinc/42/22/80/1266422280.db2.gz HRNPWUFUFTZBQQ-SJORKVTESA-N 2 1 362.526 0.374 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c1 ZINC001580325913 1278126925 /nfs/dbraw/zinc/12/69/25/1278126925.db2.gz SCNNMBKRJZHNRS-MGPQQGTHSA-N 2 1 352.385 0.915 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c1 ZINC001580325913 1278126932 /nfs/dbraw/zinc/12/69/32/1278126932.db2.gz SCNNMBKRJZHNRS-MGPQQGTHSA-N 2 1 352.385 0.915 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c1 ZINC001580325912 1278127251 /nfs/dbraw/zinc/12/72/51/1278127251.db2.gz SCNNMBKRJZHNRS-HZSPNIEDSA-N 2 1 352.385 0.915 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c1 ZINC001580325912 1278127253 /nfs/dbraw/zinc/12/72/53/1278127253.db2.gz SCNNMBKRJZHNRS-HZSPNIEDSA-N 2 1 352.385 0.915 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001290527894 1262464035 /nfs/dbraw/zinc/46/40/35/1262464035.db2.gz LZVQSRJEYKFQNE-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001290527894 1262464038 /nfs/dbraw/zinc/46/40/38/1262464038.db2.gz LZVQSRJEYKFQNE-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC001293284522 1262714889 /nfs/dbraw/zinc/71/48/89/1262714889.db2.gz WQQVQFQCVTVXNE-GOSISDBHSA-N 2 1 361.490 0.280 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001479669318 1263327409 /nfs/dbraw/zinc/32/74/09/1263327409.db2.gz GWTZHTRJCZUKJJ-RYRKJORJSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C1 ZINC001479673745 1263338604 /nfs/dbraw/zinc/33/86/04/1263338604.db2.gz HSQSZMFTPJEQMS-CVEARBPZSA-N 2 1 361.490 0.658 20 0 FCADMP CC(C)NC(=O)CN1CC[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C1 ZINC001479673745 1263338612 /nfs/dbraw/zinc/33/86/12/1263338612.db2.gz HSQSZMFTPJEQMS-CVEARBPZSA-N 2 1 361.490 0.658 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1c1ccccc1)[NH+](C)C ZINC001316644592 1263394935 /nfs/dbraw/zinc/39/49/35/1263394935.db2.gz SHACNWKJXAWGTA-OKYOBFRVSA-N 2 1 363.502 0.918 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318263662 1263557207 /nfs/dbraw/zinc/55/72/07/1263557207.db2.gz ZLHGOULSLCZKFQ-UHFFFAOYSA-N 2 1 363.506 0.816 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580387865 1278208320 /nfs/dbraw/zinc/20/83/20/1278208320.db2.gz FZLUTMANLDKHHF-SNUQEOBHSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580387865 1278208327 /nfs/dbraw/zinc/20/83/27/1278208327.db2.gz FZLUTMANLDKHHF-SNUQEOBHSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580387664 1278209008 /nfs/dbraw/zinc/20/90/08/1278209008.db2.gz ASXCUEWSYHKDQT-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001580387664 1278209014 /nfs/dbraw/zinc/20/90/14/1278209014.db2.gz ASXCUEWSYHKDQT-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001580387664 1278209023 /nfs/dbraw/zinc/20/90/23/1278209023.db2.gz ASXCUEWSYHKDQT-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494058032 1263751242 /nfs/dbraw/zinc/75/12/42/1263751242.db2.gz MXFYGZAUQAUCFD-QCODTGAPSA-N 2 1 356.486 0.770 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc2c[nH+]cn21 ZINC001319989436 1263751686 /nfs/dbraw/zinc/75/16/86/1263751686.db2.gz FCRTUTZWTFCBEK-MRXNPFEDSA-N 2 1 357.458 0.779 20 0 FCADMP CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCC2)C1=O ZINC001495915538 1263843327 /nfs/dbraw/zinc/84/33/27/1263843327.db2.gz UZAPOCKOYZZNOT-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP COC[C@H](O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001496501608 1263880291 /nfs/dbraw/zinc/88/02/91/1263880291.db2.gz MBZHREMVYJRHNS-KBAYOESNSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@H](O)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001496501608 1263880305 /nfs/dbraw/zinc/88/03/05/1263880305.db2.gz MBZHREMVYJRHNS-KBAYOESNSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@H](O)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001496501608 1263880316 /nfs/dbraw/zinc/88/03/16/1263880316.db2.gz MBZHREMVYJRHNS-KBAYOESNSA-N 2 1 355.523 0.894 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001321316381 1263935078 /nfs/dbraw/zinc/93/50/78/1263935078.db2.gz FURNWSYVENRSHJ-INIZCTEOSA-N 2 1 364.465 0.784 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001321344931 1263940723 /nfs/dbraw/zinc/94/07/23/1263940723.db2.gz XQIXCIZJMIJYOQ-JKSUJKDBSA-N 2 1 362.474 0.943 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC001321410972 1263955052 /nfs/dbraw/zinc/95/50/52/1263955052.db2.gz WKVMKNYOODSPLE-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580400559 1278225316 /nfs/dbraw/zinc/22/53/16/1278225316.db2.gz FBQCUAMMPFREHD-YPMHNXCESA-N 2 1 361.425 0.552 20 0 FCADMP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001505835280 1264281896 /nfs/dbraw/zinc/28/18/96/1264281896.db2.gz HAWWLCUVDFLYDJ-SJORKVTESA-N 2 1 360.502 0.891 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580402114 1278231124 /nfs/dbraw/zinc/23/11/24/1278231124.db2.gz GBSAOWDAZFYUJI-HIFRSBDPSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC001325381386 1264868147 /nfs/dbraw/zinc/86/81/47/1264868147.db2.gz VBBONWWOOAAFDK-CQSZACIVSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC001325381386 1264868164 /nfs/dbraw/zinc/86/81/64/1264868164.db2.gz VBBONWWOOAAFDK-CQSZACIVSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580406168 1278242466 /nfs/dbraw/zinc/24/24/66/1278242466.db2.gz YYEVSQAAGQWQBO-NQBHXWOUSA-N 2 1 363.491 0.863 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)CC1 ZINC001326115545 1265059830 /nfs/dbraw/zinc/05/98/30/1265059830.db2.gz HSFADRWXEVWULA-GOSISDBHSA-N 2 1 361.490 0.222 20 0 FCADMP COC(=O)c1ccc(N2CCN(CC(=O)N3CCNCC3)[C@H](C)C2)cc1 ZINC001326278060 1265091148 /nfs/dbraw/zinc/09/11/48/1265091148.db2.gz RCZVZYPOCUNKPH-OAHLLOKOSA-N 2 1 360.458 0.416 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC001326968117 1265209408 /nfs/dbraw/zinc/20/94/08/1265209408.db2.gz JUFBPFMVJSCKEJ-ROUUACIJSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001514149365 1265327109 /nfs/dbraw/zinc/32/71/09/1265327109.db2.gz DLBIYHAPYDMITQ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001514149365 1265327120 /nfs/dbraw/zinc/32/71/20/1265327120.db2.gz DLBIYHAPYDMITQ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001514149365 1265327131 /nfs/dbraw/zinc/32/71/31/1265327131.db2.gz DLBIYHAPYDMITQ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP [NH3+][C@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001580415625 1278264140 /nfs/dbraw/zinc/26/41/40/1278264140.db2.gz YEWXBQRDDQXTFW-PMPSAXMXSA-N 2 1 364.494 0.166 20 0 FCADMP CCc1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC001333214834 1266557522 /nfs/dbraw/zinc/55/75/22/1266557522.db2.gz JHGWGZNKCUEKLC-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001333263862 1266566662 /nfs/dbraw/zinc/56/66/62/1266566662.db2.gz ZXEBCADPKZNPNG-UYAOXDASSA-N 2 1 372.513 0.786 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001333448782 1266605024 /nfs/dbraw/zinc/60/50/24/1266605024.db2.gz RKVXZUHJURIEHD-QAQDUYKDSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001333448782 1266605029 /nfs/dbraw/zinc/60/50/29/1266605029.db2.gz RKVXZUHJURIEHD-QAQDUYKDSA-N 2 1 374.485 0.583 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001523322822 1266622010 /nfs/dbraw/zinc/62/20/10/1266622010.db2.gz JCGLPJBDBOLFNA-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001526631196 1266823551 /nfs/dbraw/zinc/82/35/51/1266823551.db2.gz IGSAKFHELHOROZ-IIAWOOMASA-N 2 1 364.494 0.019 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001528130951 1266946907 /nfs/dbraw/zinc/94/69/07/1266946907.db2.gz PHDGOXHGCCWQOU-CVEARBPZSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001528130951 1266946923 /nfs/dbraw/zinc/94/69/23/1266946923.db2.gz PHDGOXHGCCWQOU-CVEARBPZSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001528130951 1266946932 /nfs/dbraw/zinc/94/69/32/1266946932.db2.gz PHDGOXHGCCWQOU-CVEARBPZSA-N 2 1 355.527 0.155 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3c[nH][nH]c3=O)CC2)CC1 ZINC001334706982 1267145113 /nfs/dbraw/zinc/14/51/13/1267145113.db2.gz LQQQLYIUVCMGSG-INIZCTEOSA-N 2 1 363.506 0.811 20 0 FCADMP Cc1cc(C)n(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(=O)n1 ZINC001542206693 1267491478 /nfs/dbraw/zinc/49/14/78/1267491478.db2.gz YZIREBCAOHNIRA-UHFFFAOYSA-N 2 1 356.430 0.646 20 0 FCADMP COc1c(=O)[nH]c(=O)[nH]c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001543445132 1267549305 /nfs/dbraw/zinc/54/93/05/1267549305.db2.gz QKDUGHXGDRGACV-UHFFFAOYSA-N 2 1 360.374 0.296 20 0 FCADMP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001549008549 1267788319 /nfs/dbraw/zinc/78/83/19/1267788319.db2.gz SPNHXZBTPRFPDU-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001549008549 1267788323 /nfs/dbraw/zinc/78/83/23/1267788323.db2.gz SPNHXZBTPRFPDU-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001549034512 1267792946 /nfs/dbraw/zinc/79/29/46/1267792946.db2.gz NMSZZKQRROGCSQ-XQZMSQOBSA-N 2 1 363.506 0.807 20 0 FCADMP CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@@H]1C[NH3+] ZINC001549212326 1267858551 /nfs/dbraw/zinc/85/85/51/1267858551.db2.gz AYFDITJFKDWWSP-YLFCFFPRSA-N 2 1 366.506 0.635 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC001549215082 1267858751 /nfs/dbraw/zinc/85/87/51/1267858751.db2.gz UQNBBNGUTYVHPS-OAGGEKHMSA-N 2 1 352.479 0.389 20 0 FCADMP CC(C)(C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH2+]CC1 ZINC001549300454 1267896744 /nfs/dbraw/zinc/89/67/44/1267896744.db2.gz KNVSOZUKICBNQY-JKSUJKDBSA-N 2 1 350.507 0.430 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+]1CCOCC1 ZINC001549733812 1267981590 /nfs/dbraw/zinc/98/15/90/1267981590.db2.gz BQXBEHVRCLBXTM-XYJFISCASA-N 2 1 363.506 0.810 20 0 FCADMP O=C(NC[C@@H]1CCCCC[NH2+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001338625340 1268013174 /nfs/dbraw/zinc/01/31/74/1268013174.db2.gz QIKUHBFEYUHUES-INIZCTEOSA-N 2 1 354.495 0.699 20 0 FCADMP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998540 1268038581 /nfs/dbraw/zinc/03/85/81/1268038581.db2.gz AASJISQJNHIOHJ-TZIWHRDSSA-N 2 1 372.513 0.472 20 0 FCADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)[C@@H]2C1 ZINC001550062886 1268065912 /nfs/dbraw/zinc/06/59/12/1268065912.db2.gz IKDPHXABFYCMJX-UTUOFQBUSA-N 2 1 370.404 0.295 20 0 FCADMP CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@H+]1C ZINC001550064373 1268068343 /nfs/dbraw/zinc/06/83/43/1268068343.db2.gz FGFNUDDPOAPOSR-TWMKSMIVSA-N 2 1 363.506 0.463 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC001550366201 1268107910 /nfs/dbraw/zinc/10/79/10/1268107910.db2.gz CDWBEPGJYCOQEB-JFIYKMOQSA-N 2 1 374.533 0.580 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)C1C[NH+](C3CCOCC3)C1)[C@@H](O)C2 ZINC001550477142 1268125034 /nfs/dbraw/zinc/12/50/34/1268125034.db2.gz NRQKRFHTQYJWIL-LXZJYRNTSA-N 2 1 365.518 0.693 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@@H](O)C2 ZINC001550481747 1268126167 /nfs/dbraw/zinc/12/61/67/1268126167.db2.gz PBXUQPLEOHHGGQ-GJGATLCTSA-N 2 1 352.523 0.218 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@@H](O)C2 ZINC001550481747 1268126175 /nfs/dbraw/zinc/12/61/75/1268126175.db2.gz PBXUQPLEOHHGGQ-GJGATLCTSA-N 2 1 352.523 0.218 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487325 1268127163 /nfs/dbraw/zinc/12/71/63/1268127163.db2.gz BJZILUITPGRVIK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487325 1268127169 /nfs/dbraw/zinc/12/71/69/1268127169.db2.gz BJZILUITPGRVIK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487325 1268127172 /nfs/dbraw/zinc/12/71/72/1268127172.db2.gz BJZILUITPGRVIK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550487325 1268127174 /nfs/dbraw/zinc/12/71/74/1268127174.db2.gz BJZILUITPGRVIK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP [NH3+]C1CCN(CCNC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001550739577 1268159353 /nfs/dbraw/zinc/15/93/53/1268159353.db2.gz CGKDDUAVGONXTH-DLBZAZTESA-N 2 1 365.522 0.352 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC(=O)N[C@@H]2C1 ZINC001550744313 1268160783 /nfs/dbraw/zinc/16/07/83/1268160783.db2.gz XAZDQBOFQYAJPT-YLFCFFPRSA-N 2 1 357.458 0.004 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550910769 1268183172 /nfs/dbraw/zinc/18/31/72/1268183172.db2.gz STFKOZWCWHHXEK-BWPNAZKDSA-N 2 1 367.534 0.677 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)C[NH+]3CCC(CO)CC3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550910769 1268183174 /nfs/dbraw/zinc/18/31/74/1268183174.db2.gz STFKOZWCWHHXEK-BWPNAZKDSA-N 2 1 367.534 0.677 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001550980242 1268188714 /nfs/dbraw/zinc/18/87/14/1268188714.db2.gz RRMWANHGZZFFHJ-WNRNVDISSA-N 2 1 366.506 0.527 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[NH+]1CC[C@H](O)C1 ZINC001550980242 1268188718 /nfs/dbraw/zinc/18/87/18/1268188718.db2.gz RRMWANHGZZFFHJ-WNRNVDISSA-N 2 1 366.506 0.527 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CCC[C@H]1[NH+]1CC[C@H](O)C1 ZINC001550980242 1268188722 /nfs/dbraw/zinc/18/87/22/1268188722.db2.gz RRMWANHGZZFFHJ-WNRNVDISSA-N 2 1 366.506 0.527 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156009 1268209392 /nfs/dbraw/zinc/20/93/92/1268209392.db2.gz ACOIKYDZHSZPND-ISXWCOSWSA-N 2 1 351.491 0.999 20 0 FCADMP C[C@@H](C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001551163088 1268211059 /nfs/dbraw/zinc/21/10/59/1268211059.db2.gz RFFOKBNFARQKQQ-MUYFXNHWSA-N 2 1 352.523 0.772 20 0 FCADMP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001551468857 1268257817 /nfs/dbraw/zinc/25/78/17/1268257817.db2.gz UUBGDTZCKJHCTF-OALUTQOASA-N 2 1 373.501 0.052 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C[C@@H](C)O ZINC001551471832 1268258181 /nfs/dbraw/zinc/25/81/81/1268258181.db2.gz ZMPSHNSCVGNEDN-BRWVUGGUSA-N 2 1 368.522 0.632 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551555291 1268267902 /nfs/dbraw/zinc/26/79/02/1268267902.db2.gz NMMASLPTYRAJDH-DOTOQJQBSA-N 2 1 365.522 0.664 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556249 1268268991 /nfs/dbraw/zinc/26/89/91/1268268991.db2.gz SCENOBRYIDRUGF-ZBFHGGJFSA-N 2 1 351.495 0.369 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551559007 1268269605 /nfs/dbraw/zinc/26/96/05/1268269605.db2.gz FPRVJWBGUXTAHV-MUQADHOPSA-N 2 1 363.506 0.559 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560560 1268270564 /nfs/dbraw/zinc/27/05/64/1268270564.db2.gz NZXHHOYXZRCKFB-MRVWCRGKSA-N 2 1 350.385 0.236 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560560 1268270570 /nfs/dbraw/zinc/27/05/70/1268270570.db2.gz NZXHHOYXZRCKFB-MRVWCRGKSA-N 2 1 350.385 0.236 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551561750 1268271919 /nfs/dbraw/zinc/27/19/19/1268271919.db2.gz KKDOPFIQFZYZKG-RYRKJORJSA-N 2 1 365.522 0.807 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551576854 1268275913 /nfs/dbraw/zinc/27/59/13/1268275913.db2.gz KCWDHMUHJBPMFR-SOLBZPMBSA-N 2 1 365.522 0.759 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)[C@H](C)C1 ZINC001552168426 1268400982 /nfs/dbraw/zinc/40/09/82/1268400982.db2.gz YQVZKCQIUQHWIK-OHFALNGGSA-N 2 1 364.494 0.169 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552200550 1268408392 /nfs/dbraw/zinc/40/83/92/1268408392.db2.gz MCLMOJVTUQFGMI-UZLBHIALSA-N 2 1 372.469 0.178 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2CNC(=O)[C@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC001552202702 1268409182 /nfs/dbraw/zinc/40/91/82/1268409182.db2.gz AYSANMOBKVUSJT-RRFJBIMHSA-N 2 1 364.469 0.965 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)(N2CCCCC2)CC1 ZINC001552202967 1268409383 /nfs/dbraw/zinc/40/93/83/1268409383.db2.gz UBJQLIUNZRNEPS-QFBILLFUSA-N 2 1 350.507 0.289 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC001552210548 1268411061 /nfs/dbraw/zinc/41/10/61/1268411061.db2.gz DZOARXXRRVZOQR-LYHUEXMXSA-N 2 1 363.506 0.645 20 0 FCADMP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001552215766 1268412561 /nfs/dbraw/zinc/41/25/61/1268412561.db2.gz LUHZENYHFGGHRM-HOTGVXAUSA-N 2 1 361.494 0.053 20 0 FCADMP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001552215766 1268412563 /nfs/dbraw/zinc/41/25/63/1268412563.db2.gz LUHZENYHFGGHRM-HOTGVXAUSA-N 2 1 361.494 0.053 20 0 FCADMP O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001552224105 1268415502 /nfs/dbraw/zinc/41/55/02/1268415502.db2.gz TYBWCRACPFKBGF-BRSBDYLESA-N 2 1 366.506 0.527 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC001552250959 1268421281 /nfs/dbraw/zinc/42/12/81/1268421281.db2.gz DYDYXGCYBADZTL-ROUUACIJSA-N 2 1 358.486 0.564 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001552304033 1268435294 /nfs/dbraw/zinc/43/52/94/1268435294.db2.gz YSGQQPPUKIGMQR-MJGOQNOKSA-N 2 1 358.486 0.912 20 0 FCADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001340106351 1268437373 /nfs/dbraw/zinc/43/73/73/1268437373.db2.gz SBJRZFBBBZBGQS-XKGZKEIXSA-N 2 1 361.486 0.897 20 0 FCADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001340106351 1268437378 /nfs/dbraw/zinc/43/73/78/1268437378.db2.gz SBJRZFBBBZBGQS-XKGZKEIXSA-N 2 1 361.486 0.897 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111434 1268438975 /nfs/dbraw/zinc/43/89/75/1268438975.db2.gz CAWGPQRNYZRSDH-PZJWPPBQSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111434 1268438979 /nfs/dbraw/zinc/43/89/79/1268438979.db2.gz CAWGPQRNYZRSDH-PZJWPPBQSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111434 1268438985 /nfs/dbraw/zinc/43/89/85/1268438985.db2.gz CAWGPQRNYZRSDH-PZJWPPBQSA-N 2 1 374.529 0.986 20 0 FCADMP O=C(C[C@]1(O)CCC[NH2+]C1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001340248483 1268485774 /nfs/dbraw/zinc/48/57/74/1268485774.db2.gz INXXNDVRPHNPFM-OAQYLSRUSA-N 2 1 374.529 0.815 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552700844 1268523149 /nfs/dbraw/zinc/52/31/49/1268523149.db2.gz RUUOPDBACDVVGQ-GDBMZVCRSA-N 2 1 350.467 0.515 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001552696687 1268523212 /nfs/dbraw/zinc/52/32/12/1268523212.db2.gz XBFFSFZEFYZLAN-INIZCTEOSA-N 2 1 360.506 0.729 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)C1 ZINC001552696687 1268523217 /nfs/dbraw/zinc/52/32/17/1268523217.db2.gz XBFFSFZEFYZLAN-INIZCTEOSA-N 2 1 360.506 0.729 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)CC2)C1 ZINC001552696687 1268523223 /nfs/dbraw/zinc/52/32/23/1268523223.db2.gz XBFFSFZEFYZLAN-INIZCTEOSA-N 2 1 360.506 0.729 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@H]1C ZINC001552698584 1268524124 /nfs/dbraw/zinc/52/41/24/1268524124.db2.gz ZMJCLRILKPDJED-IIAWOOMASA-N 2 1 350.467 0.513 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@H]1C ZINC001552698584 1268524131 /nfs/dbraw/zinc/52/41/31/1268524131.db2.gz ZMJCLRILKPDJED-IIAWOOMASA-N 2 1 350.467 0.513 20 0 FCADMP C[C@@H](CNC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706575 1268525356 /nfs/dbraw/zinc/52/53/56/1268525356.db2.gz NKUCECZIMYDJON-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](CNC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706575 1268525361 /nfs/dbraw/zinc/52/53/61/1268525361.db2.gz NKUCECZIMYDJON-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)CC1 ZINC001552771864 1268543767 /nfs/dbraw/zinc/54/37/67/1268543767.db2.gz VDIJNHIJYSLZQA-NVXWUHKLSA-N 2 1 358.490 0.751 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@@H]4CCOC5)n3)cn2)CC1 ZINC001553321301 1268623826 /nfs/dbraw/zinc/62/38/26/1268623826.db2.gz VEVCORNKHLOMBQ-HNAYVOBHSA-N 2 1 370.457 0.761 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368418 1268639481 /nfs/dbraw/zinc/63/94/81/1268639481.db2.gz GSMLDZOJIHQKEZ-FXAWDEMLSA-N 2 1 364.534 0.679 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553386896 1268643072 /nfs/dbraw/zinc/64/30/72/1268643072.db2.gz WLIYGQUSJOCVHH-YOEHRIQHSA-N 2 1 351.472 0.248 20 0 FCADMP CN(C)C(=O)COc1cccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553389191 1268643187 /nfs/dbraw/zinc/64/31/87/1268643187.db2.gz KAUWLWXANCQDDE-LIRRHRJNSA-N 2 1 360.458 0.633 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)c1 ZINC001553403747 1268645318 /nfs/dbraw/zinc/64/53/18/1268645318.db2.gz AZGAOZTXRVRQPZ-LUKYLMHMSA-N 2 1 358.442 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)c1 ZINC001553403747 1268645328 /nfs/dbraw/zinc/64/53/28/1268645328.db2.gz AZGAOZTXRVRQPZ-LUKYLMHMSA-N 2 1 358.442 0.594 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553415279 1268647503 /nfs/dbraw/zinc/64/75/03/1268647503.db2.gz SOGFPNUMMNAEHP-MDMSPXHWSA-N 2 1 350.507 0.523 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553451397 1268653022 /nfs/dbraw/zinc/65/30/22/1268653022.db2.gz SRZUDBHPCUNDPT-GJZGRUSLSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553451796 1268653518 /nfs/dbraw/zinc/65/35/18/1268653518.db2.gz MIZIOGVGZBWXFS-VQHPVUNQSA-N 2 1 358.490 0.438 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@](C[NH3+])(C3CCOCC3)C2)n1C ZINC001553457203 1268654780 /nfs/dbraw/zinc/65/47/80/1268654780.db2.gz GJVZRCAHELXYAZ-SFHVURJKSA-N 2 1 364.494 0.773 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)C1 ZINC001340844998 1268678919 /nfs/dbraw/zinc/67/89/19/1268678919.db2.gz PLVQREVIUUBHKE-IPMKNSEASA-N 2 1 372.513 0.768 20 0 FCADMP Cc1c(C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)nnn1[C@@H]1CC[NH2+]C1 ZINC001554047354 1268748498 /nfs/dbraw/zinc/74/84/98/1268748498.db2.gz UCEQGMKCOSPHLM-CYBMUJFWSA-N 2 1 367.417 0.617 20 0 FCADMP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001341098429 1268782650 /nfs/dbraw/zinc/78/26/50/1268782650.db2.gz GAHYHTGZBHMBFU-CQSZACIVSA-N 2 1 364.450 0.084 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001341335118 1268941774 /nfs/dbraw/zinc/94/17/74/1268941774.db2.gz SQFGUTWHVDOEHI-ZACQAIPSSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001341335118 1268941780 /nfs/dbraw/zinc/94/17/80/1268941780.db2.gz SQFGUTWHVDOEHI-ZACQAIPSSA-N 3 1 367.538 0.292 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001341335118 1268941784 /nfs/dbraw/zinc/94/17/84/1268941784.db2.gz SQFGUTWHVDOEHI-ZACQAIPSSA-N 3 1 367.538 0.292 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341677903 1269147625 /nfs/dbraw/zinc/14/76/25/1269147625.db2.gz VIJZYIGDXXSNKI-SCTDSRPQSA-N 2 1 352.523 0.508 20 0 FCADMP C[NH2+]C1(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCC1 ZINC001341733642 1269176239 /nfs/dbraw/zinc/17/62/39/1269176239.db2.gz QJYDIDYPZLCZHZ-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CSCC[NH2+]2)CC1=O ZINC001341897764 1269257078 /nfs/dbraw/zinc/25/70/78/1269257078.db2.gz NLYQQLKXAZQBCA-HRCADAONSA-N 2 1 368.547 0.531 20 0 FCADMP O=C(COC1C[NH2+]C1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001580560295 1278486595 /nfs/dbraw/zinc/48/65/95/1278486595.db2.gz GAKFWBDVCRVZJD-SFHVURJKSA-N 2 1 358.486 0.394 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001565927026 1269523530 /nfs/dbraw/zinc/52/35/30/1269523530.db2.gz KHEITQZYGJKVOQ-BHYGNILZSA-N 2 1 351.495 0.681 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001342828470 1269629315 /nfs/dbraw/zinc/62/93/15/1269629315.db2.gz BVKHVVPGFIVUFE-YESZJQIVSA-N 2 1 365.522 0.522 20 0 FCADMP CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568743963 1269747502 /nfs/dbraw/zinc/74/75/02/1269747502.db2.gz WBAIOPGIHHNXCD-GZBFAFLISA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1O ZINC001343725541 1269992044 /nfs/dbraw/zinc/99/20/44/1269992044.db2.gz LQQVZAYROFVCSV-CVEARBPZSA-N 2 1 359.430 0.206 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2O)CCC1 ZINC001572826581 1270203200 /nfs/dbraw/zinc/20/32/00/1270203200.db2.gz IUINGAXASHSBMO-HUUCEWRRSA-N 2 1 368.522 0.137 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580635099 1278596354 /nfs/dbraw/zinc/59/63/54/1278596354.db2.gz JSXFWFXJTBAALE-INIZCTEOSA-N 2 1 351.491 0.764 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573976837 1270970958 /nfs/dbraw/zinc/97/09/58/1270970958.db2.gz JHIFMCFDIWLLEG-CZUORRHYSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261651 1271136581 /nfs/dbraw/zinc/13/65/81/1271136581.db2.gz KREMLUGTYBPRKG-HIFRSBDPSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285242 1271158919 /nfs/dbraw/zinc/15/89/19/1271158919.db2.gz XTXALGYJBXUNEX-CJNGLKHVSA-N 2 1 370.461 0.829 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285242 1271158922 /nfs/dbraw/zinc/15/89/22/1271158922.db2.gz XTXALGYJBXUNEX-CJNGLKHVSA-N 2 1 370.461 0.829 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596082 1271395470 /nfs/dbraw/zinc/39/54/70/1271395470.db2.gz HVTDGTFZHVVAGB-BBRMVZONSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574599178 1271402012 /nfs/dbraw/zinc/40/20/12/1271402012.db2.gz UHGCFCSILDJJAU-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574599178 1271402018 /nfs/dbraw/zinc/40/20/18/1271402018.db2.gz UHGCFCSILDJJAU-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786631 1271519564 /nfs/dbraw/zinc/51/95/64/1271519564.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574786631 1271519568 /nfs/dbraw/zinc/51/95/68/1271519568.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574786631 1271519572 /nfs/dbraw/zinc/51/95/72/1271519572.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 2 1 357.462 0.755 20 0 FCADMP C(Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCOCC1)C[NH+]1CCOCC1 ZINC001574816992 1271558939 /nfs/dbraw/zinc/55/89/39/1271558939.db2.gz PCMNPORELSOVGF-HNNXBMFYSA-N 2 1 350.467 0.262 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873314 1271624051 /nfs/dbraw/zinc/62/40/51/1271624051.db2.gz MVIXVWOKBKSGBU-CZUORRHYSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574874882 1271628573 /nfs/dbraw/zinc/62/85/73/1271628573.db2.gz FLCRIKMSTRPCOM-NWDGAFQWSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876236 1271633507 /nfs/dbraw/zinc/63/35/07/1271633507.db2.gz KXZPVXQRKARXAD-SMDDNHRTSA-N 2 1 361.425 0.552 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001580661576 1278662459 /nfs/dbraw/zinc/66/24/59/1278662459.db2.gz QOGPTPCNFNXIPF-RBUKOAKNSA-N 2 1 357.502 0.950 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cn[nH]n3)C2)C1 ZINC001575276174 1271864114 /nfs/dbraw/zinc/86/41/14/1271864114.db2.gz PRSSCTRFOLZCNM-CKEIUWERSA-N 2 1 352.458 0.797 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3c[nH]nn3)C2)C1 ZINC001575276174 1271864119 /nfs/dbraw/zinc/86/41/19/1271864119.db2.gz PRSSCTRFOLZCNM-CKEIUWERSA-N 2 1 352.458 0.797 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3c[nH]nn3)C2)C1 ZINC001575276174 1271864127 /nfs/dbraw/zinc/86/41/27/1271864127.db2.gz PRSSCTRFOLZCNM-CKEIUWERSA-N 2 1 352.458 0.797 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]21)[NH+]1CCCC1 ZINC001575327383 1271937193 /nfs/dbraw/zinc/93/71/93/1271937193.db2.gz FSXWKIZHQQWXCH-ZJPYXAASSA-N 2 1 360.506 0.762 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]21)[NH+]1CCCC1 ZINC001575327383 1271937205 /nfs/dbraw/zinc/93/72/05/1271937205.db2.gz FSXWKIZHQQWXCH-ZJPYXAASSA-N 2 1 360.506 0.762 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]21)[NH+]1CCCC1 ZINC001575327383 1271937218 /nfs/dbraw/zinc/93/72/18/1271937218.db2.gz FSXWKIZHQQWXCH-ZJPYXAASSA-N 2 1 360.506 0.762 20 0 FCADMP CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575681346 1272294924 /nfs/dbraw/zinc/29/49/24/1272294924.db2.gz DIAPZQXOYIYRQW-KBPBESRZSA-N 2 1 370.523 0.058 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1CCC[N@@H+](C)C(C)C ZINC001575711176 1272349205 /nfs/dbraw/zinc/34/92/05/1272349205.db2.gz CGHOYPLLAVJIOE-LSDHHAIUSA-N 2 1 365.526 0.930 20 0 FCADMP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575802803 1272453653 /nfs/dbraw/zinc/45/36/53/1272453653.db2.gz KPUIGARNSCWOIA-QGZVFWFLSA-N 2 1 368.445 0.443 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001576007623 1272694388 /nfs/dbraw/zinc/69/43/88/1272694388.db2.gz GVNQGXVPOAYJNZ-IXDOHACOSA-N 2 1 358.490 0.595 20 0 FCADMP CC1CC[NH+](CC(=O)NC2(C[NH2+]CCc3c[nH]nn3)CCOCC2)CC1 ZINC001576105465 1272889715 /nfs/dbraw/zinc/88/97/15/1272889715.db2.gz VBNXZYUZXCCQOD-UHFFFAOYSA-N 2 1 364.494 0.334 20 0 FCADMP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2)[C@@H](c1ccccc1)[NH+](C)C ZINC001576221861 1272993687 /nfs/dbraw/zinc/99/36/87/1272993687.db2.gz UQTLMOGHGXTGEE-JXSMBQFASA-N 2 1 365.499 0.428 20 0 FCADMP C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC[NH2+]2)n1CC[N@@H+]1CC=CCC1 ZINC001576575321 1273454720 /nfs/dbraw/zinc/45/47/20/1273454720.db2.gz ZFASOUZTBUTQDE-HOTGVXAUSA-N 2 1 373.505 0.631 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576585683 1273465989 /nfs/dbraw/zinc/46/59/89/1273465989.db2.gz FMDOWPGSDRTDQJ-GDBMZVCRSA-N 2 1 361.450 0.005 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)C2=O ZINC001576669021 1273534617 /nfs/dbraw/zinc/53/46/17/1273534617.db2.gz KOMYPWOMJNNTOT-JZLYGMAVSA-N 2 1 351.451 0.189 20 0 FCADMP C[NH+](C)C1(C(=O)NCC2([NH2+]CCc3c[nH]nn3)CCOCC2)CCC1 ZINC001576747138 1273618560 /nfs/dbraw/zinc/61/85/60/1273618560.db2.gz HYSHCWCAKCUSIQ-UHFFFAOYSA-N 2 1 350.467 0.087 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@H]32)cc1 ZINC001576749422 1273619454 /nfs/dbraw/zinc/61/94/54/1273619454.db2.gz DUNHOKBSEZCQMU-BWTSREIZSA-N 2 1 368.485 0.812 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@H]32)cc1 ZINC001576749422 1273619460 /nfs/dbraw/zinc/61/94/60/1273619460.db2.gz DUNHOKBSEZCQMU-BWTSREIZSA-N 2 1 368.485 0.812 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@H]32)cc1 ZINC001576749422 1273619465 /nfs/dbraw/zinc/61/94/65/1273619465.db2.gz DUNHOKBSEZCQMU-BWTSREIZSA-N 2 1 368.485 0.812 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792453 1273694090 /nfs/dbraw/zinc/69/40/90/1273694090.db2.gz VFLQTVQNDLROBD-CZUORRHYSA-N 2 1 372.477 0.783 20 0 FCADMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806593 1273716723 /nfs/dbraw/zinc/71/67/23/1273716723.db2.gz NWSQQGSRNCQNQZ-KBPBESRZSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCOCC2)CC[NH2+]1 ZINC001576823897 1273746059 /nfs/dbraw/zinc/74/60/59/1273746059.db2.gz FCWWOGQICLIDBH-OAHLLOKOSA-N 2 1 374.493 0.199 20 0 FCADMP O=C(NCc1cn(C2C[NH2+]C2)nn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001580725127 1278813035 /nfs/dbraw/zinc/81/30/35/1278813035.db2.gz QGPKZINZTQTNJQ-INIZCTEOSA-N 2 1 354.458 0.951 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576843163 1273783788 /nfs/dbraw/zinc/78/37/88/1273783788.db2.gz WHINLPDDMVPFDY-HZSPNIEDSA-N 2 1 372.477 0.639 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576847110 1273793646 /nfs/dbraw/zinc/79/36/46/1273793646.db2.gz CANPRHIOSPUNQY-HZPDHXFCSA-N 2 1 357.462 0.945 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576848395 1273794164 /nfs/dbraw/zinc/79/41/64/1273794164.db2.gz ZEPMCJZJIFQFAX-SFHVURJKSA-N 2 1 356.474 0.712 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576848395 1273794172 /nfs/dbraw/zinc/79/41/72/1273794172.db2.gz ZEPMCJZJIFQFAX-SFHVURJKSA-N 2 1 356.474 0.712 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576848395 1273794182 /nfs/dbraw/zinc/79/41/82/1273794182.db2.gz ZEPMCJZJIFQFAX-SFHVURJKSA-N 2 1 356.474 0.712 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850940 /nfs/dbraw/zinc/85/09/40/1273850940.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850949 /nfs/dbraw/zinc/85/09/49/1273850949.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850960 /nfs/dbraw/zinc/85/09/60/1273850960.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850970 /nfs/dbraw/zinc/85/09/70/1273850970.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850976 /nfs/dbraw/zinc/85/09/76/1273850976.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850982 /nfs/dbraw/zinc/85/09/82/1273850982.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]2c2ccccc2)C1 ZINC001576875011 1273850993 /nfs/dbraw/zinc/85/09/93/1273850993.db2.gz AOYFHZQFMJHMAH-YTQUADARSA-N 2 1 368.485 0.883 20 0 FCADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026562 1274082284 /nfs/dbraw/zinc/08/22/84/1274082284.db2.gz GACUWWIHRMIUIG-GJZGRUSLSA-N 2 1 366.510 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577553800 1274495677 /nfs/dbraw/zinc/49/56/77/1274495677.db2.gz JBDFXOOZCDCTAT-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554815 1274496878 /nfs/dbraw/zinc/49/68/78/1274496878.db2.gz VPWLHGGURBPOTF-CYBMUJFWSA-N 2 1 358.450 0.286 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554410 1274497221 /nfs/dbraw/zinc/49/72/21/1274497221.db2.gz RNRWIVPEDNTNGJ-AWEZNQCLSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577554210 1274497312 /nfs/dbraw/zinc/49/73/12/1274497312.db2.gz QOBUYDJNBLVKGL-TZMCWYRMSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558283 1274502489 /nfs/dbraw/zinc/50/24/89/1274502489.db2.gz FMLBKRNVIFRHJH-OAHLLOKOSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577563201 1274515404 /nfs/dbraw/zinc/51/54/04/1274515404.db2.gz MYBOMKWRPFNLFB-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577563764 1274518170 /nfs/dbraw/zinc/51/81/70/1274518170.db2.gz ZYWQLGNVUONOPT-UHFFFAOYSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577568697 1274525932 /nfs/dbraw/zinc/52/59/32/1274525932.db2.gz VKZBFRUCNMQAKS-AWEZNQCLSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568186 1274526565 /nfs/dbraw/zinc/52/65/65/1274526565.db2.gz MWRRRRARLBXVCO-ZDUSSCGKSA-N 2 1 360.466 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577576132 1274542237 /nfs/dbraw/zinc/54/22/37/1274542237.db2.gz QHVFFKFYQZTODJ-HDJSIYSDSA-N 2 1 372.477 0.783 20 0 FCADMP CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577633734 1274621519 /nfs/dbraw/zinc/62/15/19/1274621519.db2.gz IEKOZMXUQNCPDY-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665010 1274683457 /nfs/dbraw/zinc/68/34/57/1274683457.db2.gz LBYREARZQIUKGH-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667536 1274689824 /nfs/dbraw/zinc/68/98/24/1274689824.db2.gz DWJDUSWDHZKDSX-CZUORRHYSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673365 1274708690 /nfs/dbraw/zinc/70/86/90/1274708690.db2.gz JTZUECMZNDFFDU-XJKCOSOUSA-N 2 1 370.461 0.617 20 0 FCADMP CCN1C[C@H](C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760583 1274843138 /nfs/dbraw/zinc/84/31/38/1274843138.db2.gz YKMOBTSPVLBDKF-KKUMJFAQSA-N 2 1 351.451 0.047 20 0 FCADMP CCN1C[C@H](C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760583 1274843143 /nfs/dbraw/zinc/84/31/43/1274843143.db2.gz YKMOBTSPVLBDKF-KKUMJFAQSA-N 2 1 351.451 0.047 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@@H]1C ZINC001577760600 1274843467 /nfs/dbraw/zinc/84/34/67/1274843467.db2.gz YRHUUTWIPICRNE-SOUVJXGZSA-N 2 1 363.510 0.887 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577770667 1274855451 /nfs/dbraw/zinc/85/54/51/1274855451.db2.gz MYAFKHOOOKOVGT-DEYYWGMASA-N 2 1 361.494 0.438 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@@H]1C ZINC001577782310 1274878013 /nfs/dbraw/zinc/87/80/13/1274878013.db2.gz YTXLRYXWUYMHPO-LSDHHAIUSA-N 2 1 373.509 0.452 20 0 FCADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577798527 1274902050 /nfs/dbraw/zinc/90/20/50/1274902050.db2.gz RQVHPJRDDZMGHH-CYBMUJFWSA-N 2 1 358.450 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577866142 1275042007 /nfs/dbraw/zinc/04/20/07/1275042007.db2.gz ASHCUFHWZWYKKQ-OAHLLOKOSA-N 2 1 358.450 0.332 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577866527 1275046181 /nfs/dbraw/zinc/04/61/81/1275046181.db2.gz HYZYFVFAECXQEW-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945156 1275162055 /nfs/dbraw/zinc/16/20/55/1275162055.db2.gz BIQRHLMHEDSVFY-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945156 1275162057 /nfs/dbraw/zinc/16/20/57/1275162057.db2.gz BIQRHLMHEDSVFY-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945156 1275162064 /nfs/dbraw/zinc/16/20/64/1275162064.db2.gz BIQRHLMHEDSVFY-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP O=C(NC[C@@H](CO)[NH2+]CCc1cn[nH]n1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986371 1275225452 /nfs/dbraw/zinc/22/54/52/1275225452.db2.gz AVBGLGFUBQTAPE-RDJZCZTQSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@@H](CO)[NH2+]CCc1c[nH]nn1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986371 1275225457 /nfs/dbraw/zinc/22/54/57/1275225457.db2.gz AVBGLGFUBQTAPE-RDJZCZTQSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@@H](CO)[NH2+]CCc1c[nH]nn1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986371 1275225464 /nfs/dbraw/zinc/22/54/64/1275225464.db2.gz AVBGLGFUBQTAPE-RDJZCZTQSA-N 2 1 364.494 0.211 20 0 FCADMP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001578144069 1275443539 /nfs/dbraw/zinc/44/35/39/1275443539.db2.gz ADBOOKDESDVXAQ-MRXNPFEDSA-N 2 1 365.526 0.380 20 0 FCADMP CCOCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1CCC[NH+]1CCOCC1 ZINC001578146106 1275445857 /nfs/dbraw/zinc/44/58/57/1275445857.db2.gz JCRSTOKEFHRSIQ-YOEHRIQHSA-N 2 1 350.467 0.074 20 0 FCADMP CCO[C@@H]1C[N@H+](C[C@]2(O)CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001578157746 1275457029 /nfs/dbraw/zinc/45/70/29/1275457029.db2.gz PURUTTNPKRSRLG-RKVPGOIHSA-N 2 1 357.495 0.963 20 0 FCADMP CCO[C@@H]1C[N@@H+](C[C@]2(O)CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001578157746 1275457035 /nfs/dbraw/zinc/45/70/35/1275457035.db2.gz PURUTTNPKRSRLG-RKVPGOIHSA-N 2 1 357.495 0.963 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001578194516 1275484247 /nfs/dbraw/zinc/48/42/47/1275484247.db2.gz HYXPEXBCEDPAKR-CHWSQXEVSA-N 2 1 358.450 0.544 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001578194516 1275484249 /nfs/dbraw/zinc/48/42/49/1275484249.db2.gz HYXPEXBCEDPAKR-CHWSQXEVSA-N 2 1 358.450 0.544 20 0 FCADMP CN(C)C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412495 1275782517 /nfs/dbraw/zinc/78/25/17/1275782517.db2.gz OBQOKZYGEZVDEZ-DLBZAZTESA-N 2 1 352.523 0.759 20 0 FCADMP CN(C)C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412495 1275782523 /nfs/dbraw/zinc/78/25/23/1275782523.db2.gz OBQOKZYGEZVDEZ-DLBZAZTESA-N 2 1 352.523 0.759 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCO3)CC1)Cc1ccccc1 ZINC001578471696 1275885111 /nfs/dbraw/zinc/88/51/11/1275885111.db2.gz HZACIWXNAYDUQT-PZJWPPBQSA-N 2 1 372.513 0.641 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001578525775 1275957838 /nfs/dbraw/zinc/95/78/38/1275957838.db2.gz PRSDGSGMCDIBJC-ZRGWGRIASA-N 2 1 362.522 0.589 20 0 FCADMP C[NH2+][C@H](C)Cn1c(C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001578580405 1276013786 /nfs/dbraw/zinc/01/37/86/1276013786.db2.gz WFZPTRBGEAMUBB-OAHLLOKOSA-N 2 1 363.510 0.329 20 0 FCADMP C[NH2+][C@H](C)Cn1c(C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001578580405 1276013791 /nfs/dbraw/zinc/01/37/91/1276013791.db2.gz WFZPTRBGEAMUBB-OAHLLOKOSA-N 2 1 363.510 0.329 20 0 FCADMP C[NH2+][C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578586095 1276017442 /nfs/dbraw/zinc/01/74/42/1276017442.db2.gz WRJSCDFFEFIZFA-INIZCTEOSA-N 2 1 373.505 0.640 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001578610755 1276046311 /nfs/dbraw/zinc/04/63/11/1276046311.db2.gz BNCAOTJSKSRMEW-UMVBOHGHSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578611653 1276047078 /nfs/dbraw/zinc/04/70/78/1276047078.db2.gz SREBDIJNZNCAEP-LIRRHRJNSA-N 2 1 374.464 0.949 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001578612049 1276048689 /nfs/dbraw/zinc/04/86/89/1276048689.db2.gz VSNFEESBGLKXPG-ZBFHGGJFSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001578612049 1276048696 /nfs/dbraw/zinc/04/86/96/1276048696.db2.gz VSNFEESBGLKXPG-ZBFHGGJFSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001578647529 1276099678 /nfs/dbraw/zinc/09/96/78/1276099678.db2.gz RDJBYIPOANWENQ-OAHLLOKOSA-N 2 1 350.467 0.284 20 0 FCADMP C[NH2+]C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578669246 1276121983 /nfs/dbraw/zinc/12/19/83/1276121983.db2.gz KTYKCAYFUKKLOX-HUUCEWRRSA-N 2 1 372.477 0.480 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001578970848 1276514969 /nfs/dbraw/zinc/51/49/69/1276514969.db2.gz LLPAEQPZARGDQL-ZDUSSCGKSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001578971204 1276516368 /nfs/dbraw/zinc/51/63/68/1276516368.db2.gz XJZNZTDOZWGOOL-UHFFFAOYSA-N 2 1 356.434 0.252 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578975984 1276526167 /nfs/dbraw/zinc/52/61/67/1276526167.db2.gz MMZMGHPAZCPJOQ-MRXNPFEDSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578977994 1276534547 /nfs/dbraw/zinc/53/45/47/1276534547.db2.gz ZHWFYUYYGCZQIO-JKSUJKDBSA-N 2 1 370.461 0.783 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578980923 1276542513 /nfs/dbraw/zinc/54/25/13/1276542513.db2.gz QXNPZQBANYKFRG-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578987845 1276560115 /nfs/dbraw/zinc/56/01/15/1276560115.db2.gz UEWUAKVFNRHNKP-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)C[C@H]1C[NH+](C)C ZINC001578992216 1276568060 /nfs/dbraw/zinc/56/80/60/1276568060.db2.gz PSWYNCGCVLLCGN-ZIAGYGMSSA-N 2 1 373.461 0.384 20 0 FCADMP C[N@@H+](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579006494 1276578096 /nfs/dbraw/zinc/57/80/96/1276578096.db2.gz DMLHAMUCTLPNGG-UHFFFAOYSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579010778 1276584854 /nfs/dbraw/zinc/58/48/54/1276584854.db2.gz NHRRDKRXWNBHSR-JOCQHMNTSA-N 2 1 370.461 0.475 20 0 FCADMP COCC[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579025891 1276608957 /nfs/dbraw/zinc/60/89/57/1276608957.db2.gz HKORCMBJSMXBFO-OAHLLOKOSA-N 2 1 362.482 0.184 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579027831 1276610032 /nfs/dbraw/zinc/61/00/32/1276610032.db2.gz QTOPQRYYJQUSDS-IAGOWNOFSA-N 2 1 356.511 0.883 20 0 FCADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH3+])C[C@H]1C ZINC001579037573 1276620681 /nfs/dbraw/zinc/62/06/81/1276620681.db2.gz RWCXMLDMCWWSPZ-ARFHVFGLSA-N 2 1 366.510 0.881 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC(C)(C)O)CC1 ZINC001579037127 1276621542 /nfs/dbraw/zinc/62/15/42/1276621542.db2.gz GSOMZJZQAFEBIE-GASCZTMLSA-N 2 1 366.510 0.412 20 0 FCADMP COCCOc1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC001579064157 1276674354 /nfs/dbraw/zinc/67/43/54/1276674354.db2.gz CYPSKOLVVADZJI-UHFFFAOYSA-N 2 1 351.447 0.114 20 0 FCADMP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579127345 1276809475 /nfs/dbraw/zinc/80/94/75/1276809475.db2.gz RYWSFOWFAVARBG-CYBMUJFWSA-N 2 1 363.491 0.961 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325691 1277146608 /nfs/dbraw/zinc/14/66/08/1277146608.db2.gz FGWOPKCOLTVPIQ-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325692 1277147890 /nfs/dbraw/zinc/14/78/90/1277147890.db2.gz FGWOPKCOLTVPIQ-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326576 1277149039 /nfs/dbraw/zinc/14/90/39/1277149039.db2.gz PQIAQFMQWUTYBD-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326576 1277149043 /nfs/dbraw/zinc/14/90/43/1277149043.db2.gz PQIAQFMQWUTYBD-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326576 1277149048 /nfs/dbraw/zinc/14/90/48/1277149048.db2.gz PQIAQFMQWUTYBD-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326969 1277152879 /nfs/dbraw/zinc/15/28/79/1277152879.db2.gz NJHOPNUITNHSMT-HOCLYGCPSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327198 1277153067 /nfs/dbraw/zinc/15/30/67/1277153067.db2.gz QCQPCXKFFXEJNZ-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327198 1277153069 /nfs/dbraw/zinc/15/30/69/1277153069.db2.gz QCQPCXKFFXEJNZ-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327198 1277153071 /nfs/dbraw/zinc/15/30/71/1277153071.db2.gz QCQPCXKFFXEJNZ-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327377 1277154345 /nfs/dbraw/zinc/15/43/45/1277154345.db2.gz RLSRFIHDTBWSDC-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327746 1277154481 /nfs/dbraw/zinc/15/44/81/1277154481.db2.gz XAZKLGMPKVEPRA-STQMWFEESA-N 2 1 356.434 0.038 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579329590 1277156628 /nfs/dbraw/zinc/15/66/28/1277156628.db2.gz RGEFHGYZDIXVOX-KBPBESRZSA-N 2 1 368.445 0.393 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327924 1277158043 /nfs/dbraw/zinc/15/80/43/1277158043.db2.gz ZHAXXRRGPHBTDX-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579333623 1277168913 /nfs/dbraw/zinc/16/89/13/1277168913.db2.gz RMXKFVDWBUSXRP-HNNXBMFYSA-N 2 1 355.446 0.557 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579334817 1277173135 /nfs/dbraw/zinc/17/31/35/1277173135.db2.gz HHAKJERPYHAYJA-CQSZACIVSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579334817 1277173138 /nfs/dbraw/zinc/17/31/38/1277173138.db2.gz HHAKJERPYHAYJA-CQSZACIVSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579334937 1277173231 /nfs/dbraw/zinc/17/32/31/1277173231.db2.gz JVAPRRDCQJKDQX-SIWZUTFBSA-N 2 1 369.473 0.803 20 0 FCADMP C[NH+]1CCC(C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001579335898 1277175403 /nfs/dbraw/zinc/17/54/03/1277175403.db2.gz WNFCGYVYFPNNID-UHFFFAOYSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579335680 1277176712 /nfs/dbraw/zinc/17/67/12/1277176712.db2.gz TZABJYNMWVXODY-AWEZNQCLSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579335680 1277176714 /nfs/dbraw/zinc/17/67/14/1277176714.db2.gz TZABJYNMWVXODY-AWEZNQCLSA-N 2 1 373.436 0.506 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579338373 1277181026 /nfs/dbraw/zinc/18/10/26/1277181026.db2.gz LOIUZJJCUUWECL-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339759 1277182714 /nfs/dbraw/zinc/18/27/14/1277182714.db2.gz LSDPHYKSIQTUEA-IJLUTSLNSA-N 2 1 361.475 0.617 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339769 1277183751 /nfs/dbraw/zinc/18/37/51/1277183751.db2.gz LYJDMTSEHGKJHO-IHRRRGAJSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342624 1277190808 /nfs/dbraw/zinc/19/08/08/1277190808.db2.gz APSJQQCZJDXNBX-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342624 1277190810 /nfs/dbraw/zinc/19/08/10/1277190810.db2.gz APSJQQCZJDXNBX-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342624 1277190812 /nfs/dbraw/zinc/19/08/12/1277190812.db2.gz APSJQQCZJDXNBX-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579342750 1277193288 /nfs/dbraw/zinc/19/32/88/1277193288.db2.gz CROIJAXHOLKTSZ-CYBMUJFWSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579345137 1277196941 /nfs/dbraw/zinc/19/69/41/1277196941.db2.gz JHJJAWUOIWCAFT-HNNXBMFYSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347266 1277201505 /nfs/dbraw/zinc/20/15/05/1277201505.db2.gz ZRBMNXFAUODZMJ-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347266 1277201506 /nfs/dbraw/zinc/20/15/06/1277201506.db2.gz ZRBMNXFAUODZMJ-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347266 1277201508 /nfs/dbraw/zinc/20/15/08/1277201508.db2.gz ZRBMNXFAUODZMJ-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353383 1277211024 /nfs/dbraw/zinc/21/10/24/1277211024.db2.gz KTJYSFPOTAYICO-DOMZBBRYSA-N 2 1 356.434 0.181 20 0 FCADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353359 1277211947 /nfs/dbraw/zinc/21/19/47/1277211947.db2.gz JUVRKMWAFFEXDQ-WBVHZDCISA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353359 1277211950 /nfs/dbraw/zinc/21/19/50/1277211950.db2.gz JUVRKMWAFFEXDQ-WBVHZDCISA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353359 1277211952 /nfs/dbraw/zinc/21/19/52/1277211952.db2.gz JUVRKMWAFFEXDQ-WBVHZDCISA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353356 1277212162 /nfs/dbraw/zinc/21/21/62/1277212162.db2.gz JUVRKMWAFFEXDQ-DOTOQJQBSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353356 1277212165 /nfs/dbraw/zinc/21/21/65/1277212165.db2.gz JUVRKMWAFFEXDQ-DOTOQJQBSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353356 1277212169 /nfs/dbraw/zinc/21/21/69/1277212169.db2.gz JUVRKMWAFFEXDQ-DOTOQJQBSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579357586 1277224985 /nfs/dbraw/zinc/22/49/85/1277224985.db2.gz YZPRNOPZWNAUSK-CVEARBPZSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579358431 1277226738 /nfs/dbraw/zinc/22/67/38/1277226738.db2.gz DLGYQPOGILMODC-OAHLLOKOSA-N 2 1 355.446 0.699 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359761 1277233334 /nfs/dbraw/zinc/23/33/34/1277233334.db2.gz CLJYCNYBGWTZIX-KGLIPLIRSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579359767 1277233674 /nfs/dbraw/zinc/23/36/74/1277233674.db2.gz CLTSVMXMOQRWNZ-QRTARXTBSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361647 1277238940 /nfs/dbraw/zinc/23/89/40/1277238940.db2.gz PNKHLTOODXSULP-JYJNAYRXSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362791 1277242350 /nfs/dbraw/zinc/24/23/50/1277242350.db2.gz SWKPRYKZJFEWHK-KGLIPLIRSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362791 1277242351 /nfs/dbraw/zinc/24/23/51/1277242351.db2.gz SWKPRYKZJFEWHK-KGLIPLIRSA-N 2 1 370.461 0.831 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001579444306 1277332390 /nfs/dbraw/zinc/33/23/90/1277332390.db2.gz DELDFWHKJAZNCK-KDOFPFPSSA-N 2 1 359.478 0.148 20 0 FCADMP Cc1cc(C)n(Cc2nnc(N3CC[C@H]([NH3+])C3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001579585074 1277612076 /nfs/dbraw/zinc/61/20/76/1277612076.db2.gz CWHAFFPWHFXTET-KRWDZBQOSA-N 2 1 370.505 0.939 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[NH2+]CC3)n2CCC[NH+]2CCOCC2)o1 ZINC001579654023 1277721401 /nfs/dbraw/zinc/72/14/01/1277721401.db2.gz IKQPBGDTNUNUKY-UHFFFAOYSA-N 2 1 360.462 0.978 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1 ZINC001579883762 1277949081 /nfs/dbraw/zinc/94/90/81/1277949081.db2.gz ZDVBVECKJPJENX-HNNXBMFYSA-N 2 1 372.477 0.752 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001579883192 1277949295 /nfs/dbraw/zinc/94/92/95/1277949295.db2.gz KZFADGIAPXFTEQ-RBSFLKMASA-N 2 1 354.476 0.063 20 0 FCADMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580027565 1277995345 /nfs/dbraw/zinc/99/53/45/1277995345.db2.gz DSBOFLZOXPVDNM-GXTWGEPZSA-N 2 1 373.461 0.421 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH3+])C3)c1 ZINC001580169613 1278025637 /nfs/dbraw/zinc/02/56/37/1278025637.db2.gz HZTMOIOMCREQCO-OBJOEFQTSA-N 2 1 352.460 0.474 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001580279847 1278078053 /nfs/dbraw/zinc/07/80/53/1278078053.db2.gz IUGVCSKNOKOJNA-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP O=S(=O)(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC001580869788 1279072556 /nfs/dbraw/zinc/07/25/56/1279072556.db2.gz IGKGWFXPSSFGNB-IRXDYDNUSA-N 2 1 353.488 0.425 20 0 FCADMP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954883 1279158491 /nfs/dbraw/zinc/15/84/91/1279158491.db2.gz BZEPQSZNRUEWHV-ZIAGYGMSSA-N 2 1 370.461 0.559 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580959280 1279164070 /nfs/dbraw/zinc/16/40/70/1279164070.db2.gz URBJYHXKAUEPGW-GXTWGEPZSA-N 2 1 356.434 0.359 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987832 1279187617 /nfs/dbraw/zinc/18/76/17/1279187617.db2.gz MPSGCZNOPHLPCG-WBMJQRKESA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994164 1279200869 /nfs/dbraw/zinc/20/08/69/1279200869.db2.gz QPBSSLICFIDLGO-XJKSGUPXSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006071 1279224792 /nfs/dbraw/zinc/22/47/92/1279224792.db2.gz JZIVWTNUINVZTI-INIZCTEOSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(NC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015819 1279244250 /nfs/dbraw/zinc/24/42/50/1279244250.db2.gz DODYHJBUNNHGGX-HOTGVXAUSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023960 1279255009 /nfs/dbraw/zinc/25/50/09/1279255009.db2.gz XUDKDOTWSNDUEP-KBPBESRZSA-N 2 1 370.461 0.204 20 0 FCADMP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715603007 1287358802 /nfs/dbraw/zinc/35/88/02/1287358802.db2.gz SJHHDNDLFISDCT-KSZLIROESA-N 2 1 371.485 0.332 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581338779 1279719362 /nfs/dbraw/zinc/71/93/62/1279719362.db2.gz SXYGDCFYAYBIDF-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001581339009 1279719596 /nfs/dbraw/zinc/71/95/96/1279719596.db2.gz ZAPQIIXFDXAANN-UHFFFAOYSA-N 2 1 354.418 0.620 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001581339009 1279719602 /nfs/dbraw/zinc/71/96/02/1279719602.db2.gz ZAPQIIXFDXAANN-UHFFFAOYSA-N 2 1 354.418 0.620 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581340604 1279722099 /nfs/dbraw/zinc/72/20/99/1279722099.db2.gz SFUVJSCYKPCMIQ-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581565396 1280144892 /nfs/dbraw/zinc/14/48/92/1280144892.db2.gz OKIPIEZAAOVPRO-IYBDPMFKSA-N 2 1 366.429 0.809 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001582100309 1281057123 /nfs/dbraw/zinc/05/71/23/1281057123.db2.gz DXVCMNSSDPQNMC-VIKVFOODSA-N 2 1 373.486 0.570 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001604270341 1287597530 /nfs/dbraw/zinc/59/75/30/1287597530.db2.gz BQVHDZHBFKAELN-ZIAGYGMSSA-N 2 1 372.477 0.735 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001589676601 1282935961 /nfs/dbraw/zinc/93/59/61/1282935961.db2.gz GIIMKLUNVYUQGD-UHFFFAOYSA-N 2 1 363.441 0.942 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001590270724 1283395968 /nfs/dbraw/zinc/39/59/68/1283395968.db2.gz KETXTCVYJCIRKF-LBPRGKRZSA-N 2 1 361.425 0.553 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001682287311 1283556530 /nfs/dbraw/zinc/55/65/30/1283556530.db2.gz ZEFILOMHRPFULD-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590696355 1283738713 /nfs/dbraw/zinc/73/87/13/1283738713.db2.gz LJCHCZJEEBDBFD-HNNXBMFYSA-N 2 1 372.477 0.997 20 0 FCADMP C[N@@H+](CC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001591038636 1284099834 /nfs/dbraw/zinc/09/98/34/1284099834.db2.gz HJWXRVPIZNRUAD-WAYWQWQTSA-N 2 1 372.477 0.746 20 0 FCADMP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[NH+]1CCOCC1 ZINC001591104378 1284177449 /nfs/dbraw/zinc/17/74/49/1284177449.db2.gz NGNXTHASSZJOCW-UHFFFAOYSA-N 2 1 373.461 0.137 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172504 1284255868 /nfs/dbraw/zinc/25/58/68/1284255868.db2.gz VSKGQOSECJRCIV-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172504 1284255878 /nfs/dbraw/zinc/25/58/78/1284255878.db2.gz VSKGQOSECJRCIV-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172504 1284255887 /nfs/dbraw/zinc/25/58/87/1284255887.db2.gz VSKGQOSECJRCIV-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001591172899 1284260073 /nfs/dbraw/zinc/26/00/73/1284260073.db2.gz MXPWDHALUUHDRD-CQSZACIVSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175098 1284263595 /nfs/dbraw/zinc/26/35/95/1284263595.db2.gz GRKZYEFIWHVZSZ-SFAKSCPVSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001591175952 1284265073 /nfs/dbraw/zinc/26/50/73/1284265073.db2.gz AHODPUPLNZKFFU-BMFZPTHFSA-N 2 1 369.473 0.945 20 0 FCADMP CN(C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C1CC[NH+](C)CC1 ZINC001591179149 1284277388 /nfs/dbraw/zinc/27/73/88/1284277388.db2.gz BNHOZNHUTPOACI-INIZCTEOSA-N 2 1 355.446 0.606 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591189925 1284308997 /nfs/dbraw/zinc/30/89/97/1284308997.db2.gz YVLHOEJRRAVEHU-UHFFFAOYSA-N 2 1 357.462 0.856 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001591561694 1284734891 /nfs/dbraw/zinc/73/48/91/1284734891.db2.gz MDYTYIASBJLXSX-CQSZACIVSA-N 2 1 359.434 0.175 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753897 1284882373 /nfs/dbraw/zinc/88/23/73/1284882373.db2.gz GTMIKCRCEHBFPF-COXVUDFISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753897 1284882387 /nfs/dbraw/zinc/88/23/87/1284882387.db2.gz GTMIKCRCEHBFPF-COXVUDFISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591753897 1284882396 /nfs/dbraw/zinc/88/23/96/1284882396.db2.gz GTMIKCRCEHBFPF-COXVUDFISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001591774495 1284896591 /nfs/dbraw/zinc/89/65/91/1284896591.db2.gz NWQCZYHHDXFTKD-IHRRRGAJSA-N 2 1 370.461 0.427 20 0 FCADMP Cc1cc(NC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046706 1285087650 /nfs/dbraw/zinc/08/76/50/1285087650.db2.gz MQAIHNBFRFCELI-XGACYXMMSA-N 2 1 370.461 0.418 20 0 FCADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001592419064 1285344212 /nfs/dbraw/zinc/34/42/12/1285344212.db2.gz VLKSGUKBYOSJAG-AWEZNQCLSA-N 2 1 357.418 0.791 20 0 FCADMP [NH3+]C[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)(F)F ZINC001592741915 1285659949 /nfs/dbraw/zinc/65/99/49/1285659949.db2.gz RCRNQDNZEDJWGS-MNOVXSKESA-N 2 1 355.324 0.059 20 0 FCADMP [NH3+]C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)(F)F ZINC001592741921 1285661036 /nfs/dbraw/zinc/66/10/36/1285661036.db2.gz RCRNQDNZEDJWGS-WDEREUQCSA-N 2 1 355.324 0.059 20 0 FCADMP [NH3+]CCC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001592745463 1285665277 /nfs/dbraw/zinc/66/52/77/1285665277.db2.gz QIDXERUCSRBWDN-MRXNPFEDSA-N 2 1 355.446 0.641 20 0 FCADMP O=C([C@H]1CCC[N@@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1)N1CC[NH2+]CC1 ZINC001592784112 1285707329 /nfs/dbraw/zinc/70/73/29/1285707329.db2.gz VHGCWAOPOWQQAN-KRWDZBQOSA-N 2 1 369.473 0.553 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001592786201 1285711173 /nfs/dbraw/zinc/71/11/73/1285711173.db2.gz DNSSMAJUPWTHJF-VNQPRFMTSA-N 2 1 353.430 0.264 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001592785944 1285712025 /nfs/dbraw/zinc/71/20/25/1285712025.db2.gz BQAUREZLDKVYBF-LPHOPBHVSA-N 2 1 367.457 0.656 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995394 1285877493 /nfs/dbraw/zinc/87/74/93/1285877493.db2.gz SRWVEJCQCNABBJ-IXDOHACOSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995394 1285877500 /nfs/dbraw/zinc/87/75/00/1285877500.db2.gz SRWVEJCQCNABBJ-IXDOHACOSA-N 2 1 367.457 0.797 20 0 FCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504093 1286183593 /nfs/dbraw/zinc/18/35/93/1286183593.db2.gz FUUZMAWTJIIISA-SOUVJXGZSA-N 2 1 358.446 0.823 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@H+]1C ZINC001707067065 1286436685 /nfs/dbraw/zinc/43/66/85/1286436685.db2.gz ZCHMAPVAJFVBQN-UHDSXZAQSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[NH+](C)C3CCC3)CC2)CC[N@H+]1C ZINC001720401426 1288229750 /nfs/dbraw/zinc/22/97/50/1288229750.db2.gz QNQBJOFTKXDXHB-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[N@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC001720401426 1288229753 /nfs/dbraw/zinc/22/97/53/1288229753.db2.gz QNQBJOFTKXDXHB-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[N@@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC001720401426 1288229759 /nfs/dbraw/zinc/22/97/59/1288229759.db2.gz QNQBJOFTKXDXHB-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721024311 1288284312 /nfs/dbraw/zinc/28/43/12/1288284312.db2.gz ZIVYKCSOTPBUAA-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721024311 1288284317 /nfs/dbraw/zinc/28/43/17/1288284317.db2.gz ZIVYKCSOTPBUAA-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[NH+](C)C2CCC2)C2CC2)CC[N@H+]1C ZINC001721234170 1288317359 /nfs/dbraw/zinc/31/73/59/1288317359.db2.gz GGDSRJGLTPUMHZ-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[N@H+](C)C2CCC2)C2CC2)CC[NH+]1C ZINC001721234170 1288317364 /nfs/dbraw/zinc/31/73/64/1288317364.db2.gz GGDSRJGLTPUMHZ-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[N@@H+](C)C2CCC2)C2CC2)CC[NH+]1C ZINC001721234170 1288317371 /nfs/dbraw/zinc/31/73/71/1288317371.db2.gz GGDSRJGLTPUMHZ-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001722074864 1288398601 /nfs/dbraw/zinc/39/86/01/1288398601.db2.gz YPTBRMXPHFXNTE-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)no1 ZINC001724786173 1288450329 /nfs/dbraw/zinc/45/03/29/1288450329.db2.gz NVTFMUUSXFCBCK-ZIAGYGMSSA-N 2 1 363.462 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001731444434 1288557081 /nfs/dbraw/zinc/55/70/81/1288557081.db2.gz RODLALRVJNVORD-FDYHWXHSSA-N 2 1 351.476 0.659 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001734731947 1288672135 /nfs/dbraw/zinc/67/21/35/1288672135.db2.gz TZFMBBTZVBBDPS-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001734731947 1288672136 /nfs/dbraw/zinc/67/21/36/1288672136.db2.gz TZFMBBTZVBBDPS-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001734731947 1288672138 /nfs/dbraw/zinc/67/21/38/1288672138.db2.gz TZFMBBTZVBBDPS-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CCOC3CCC3)CC2)CC[N@H+]1C ZINC001691933761 1289344994 /nfs/dbraw/zinc/34/49/94/1289344994.db2.gz QPNLWVDSARZDQJ-IEBWSBKVSA-N 2 1 366.550 0.972 20 0 FCADMP CC(C)CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961872 1289350662 /nfs/dbraw/zinc/35/06/62/1289350662.db2.gz RUYCCCVFWAPFCX-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691961872 1289350672 /nfs/dbraw/zinc/35/06/72/1289350672.db2.gz RUYCCCVFWAPFCX-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691961872 1289350681 /nfs/dbraw/zinc/35/06/81/1289350681.db2.gz RUYCCCVFWAPFCX-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCCF)C2)C1 ZINC001691981624 1289357991 /nfs/dbraw/zinc/35/79/91/1289357991.db2.gz DQEGJBMFIPEOFU-BBWFWOEESA-N 2 1 367.469 0.384 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCCF)C2)C1 ZINC001691981624 1289358003 /nfs/dbraw/zinc/35/80/03/1289358003.db2.gz DQEGJBMFIPEOFU-BBWFWOEESA-N 2 1 367.469 0.384 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001692080520 1289385450 /nfs/dbraw/zinc/38/54/50/1289385450.db2.gz GFOWTSOWCGEMPZ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080520 1289385452 /nfs/dbraw/zinc/38/54/52/1289385452.db2.gz GFOWTSOWCGEMPZ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080520 1289385454 /nfs/dbraw/zinc/38/54/54/1289385454.db2.gz GFOWTSOWCGEMPZ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]CC=CCl)cc(=O)[nH]2)CC[N@H+]1C ZINC001692130937 1289401935 /nfs/dbraw/zinc/40/19/35/1289401935.db2.gz VSXUXKYLPBPTRD-VWRYTFAISA-N 2 1 353.854 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCNC(=O)C1CC1 ZINC001692182581 1289419467 /nfs/dbraw/zinc/41/94/67/1289419467.db2.gz JOMYSACWZXSXLF-FGTMMUONSA-N 2 1 362.518 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCOCCOC ZINC001692182205 1289420115 /nfs/dbraw/zinc/42/01/15/1289420115.db2.gz AGLWKWGURXTOGS-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236737 1289434267 /nfs/dbraw/zinc/43/42/67/1289434267.db2.gz NCWCPZOVDWYTHW-BPQIPLTHSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236737 1289434270 /nfs/dbraw/zinc/43/42/70/1289434270.db2.gz NCWCPZOVDWYTHW-BPQIPLTHSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236737 1289434275 /nfs/dbraw/zinc/43/42/75/1289434275.db2.gz NCWCPZOVDWYTHW-BPQIPLTHSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001692289472 1289445332 /nfs/dbraw/zinc/44/53/32/1289445332.db2.gz QPDSWRLPWPYTIZ-SJORKVTESA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N2CCC[C@H](C)C2)CC[N@H+]1C ZINC001699261864 1289547803 /nfs/dbraw/zinc/54/78/03/1289547803.db2.gz SLKZYZZYKPURKS-HDNKPZPWSA-N 2 1 350.507 0.847 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001699258382 1289548081 /nfs/dbraw/zinc/54/80/81/1289548081.db2.gz CKSLOQIHWRYJCB-ZYOQUQOHSA-N 2 1 350.463 0.128 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001739117372 1289808744 /nfs/dbraw/zinc/80/87/44/1289808744.db2.gz RIVJSJJCVCLSKI-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001739117372 1289808757 /nfs/dbraw/zinc/80/87/57/1289808757.db2.gz RIVJSJJCVCLSKI-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001739117372 1289808769 /nfs/dbraw/zinc/80/87/69/1289808769.db2.gz RIVJSJJCVCLSKI-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001753130705 1290620702 /nfs/dbraw/zinc/62/07/02/1290620702.db2.gz XXTMUBHFFOXLQQ-YESZJQIVSA-N 2 1 367.538 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCNC(=O)NC(C)C)C2)CC[NH+]1C ZINC001753130705 1290620709 /nfs/dbraw/zinc/62/07/09/1290620709.db2.gz XXTMUBHFFOXLQQ-YESZJQIVSA-N 2 1 367.538 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCNC(=O)NC(C)C)C2)CC[NH+]1C ZINC001753130705 1290620717 /nfs/dbraw/zinc/62/07/17/1290620717.db2.gz XXTMUBHFFOXLQQ-YESZJQIVSA-N 2 1 367.538 0.862 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001754225943 1290626625 /nfs/dbraw/zinc/62/66/25/1290626625.db2.gz SGXIMJNKSJASHG-LERXQTSPSA-N 2 1 350.467 0.400 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001754864459 1290635895 /nfs/dbraw/zinc/63/58/95/1290635895.db2.gz BOJONYIPXMHOJD-VDHUWJSZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864459 1290635899 /nfs/dbraw/zinc/63/58/99/1290635899.db2.gz BOJONYIPXMHOJD-VDHUWJSZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864459 1290635900 /nfs/dbraw/zinc/63/59/00/1290635900.db2.gz BOJONYIPXMHOJD-VDHUWJSZSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1cc(C)n(CC[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001754882664 1290637017 /nfs/dbraw/zinc/63/70/17/1290637017.db2.gz NIDVRZFOJCFZFQ-IAGOWNOFSA-N 2 1 351.495 0.251 20 0 FCADMP Cc1cnc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001755178260 1290640534 /nfs/dbraw/zinc/64/05/34/1290640534.db2.gz VTMCCHQNUODJPX-NVXWUHKLSA-N 2 1 361.490 0.568 20 0 FCADMP Cc1cnc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001755178260 1290640542 /nfs/dbraw/zinc/64/05/42/1290640542.db2.gz VTMCCHQNUODJPX-NVXWUHKLSA-N 2 1 361.490 0.568 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3cnon3)CC2)CC[N@@H+]1C ZINC001755154298 1290640755 /nfs/dbraw/zinc/64/07/55/1290640755.db2.gz KFQYMIFCRFLSHE-LSDHHAIUSA-N 2 1 351.451 0.243 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3cnon3)CC2)CC[N@H+]1C ZINC001755154298 1290640760 /nfs/dbraw/zinc/64/07/60/1290640760.db2.gz KFQYMIFCRFLSHE-LSDHHAIUSA-N 2 1 351.451 0.243 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C[C@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001663722185 1291763273 /nfs/dbraw/zinc/76/32/73/1291763273.db2.gz FSJRXVYHLJEKSE-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@H]2CCS(=O)(=O)C2)C2CC2)CC[N@@H+]1C ZINC001663722185 1291763279 /nfs/dbraw/zinc/76/32/79/1291763279.db2.gz FSJRXVYHLJEKSE-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001663722185 1291763283 /nfs/dbraw/zinc/76/32/83/1291763283.db2.gz FSJRXVYHLJEKSE-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001663722185 1291763288 /nfs/dbraw/zinc/76/32/88/1291763288.db2.gz FSJRXVYHLJEKSE-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001663722185 1291763300 /nfs/dbraw/zinc/76/33/00/1291763300.db2.gz FSJRXVYHLJEKSE-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@@H]2CCNC(=O)CC2)C2CC2)CC[N@H+]1C ZINC001663722454 1291763495 /nfs/dbraw/zinc/76/34/95/1291763495.db2.gz KTPDKEQGHDQESL-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C[C@@H]2CCNC(=O)CC2)C2CC2)CC[NH+]1C ZINC001663722454 1291763499 /nfs/dbraw/zinc/76/34/99/1291763499.db2.gz KTPDKEQGHDQESL-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C[C@@H]2CCNC(=O)CC2)C2CC2)CC[NH+]1C ZINC001663722454 1291763507 /nfs/dbraw/zinc/76/35/07/1291763507.db2.gz KTPDKEQGHDQESL-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001663722186 1291763978 /nfs/dbraw/zinc/76/39/78/1291763978.db2.gz FSJRXVYHLJEKSE-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[N@@H+]1C ZINC001663722186 1291763981 /nfs/dbraw/zinc/76/39/81/1291763981.db2.gz FSJRXVYHLJEKSE-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001663722186 1291763984 /nfs/dbraw/zinc/76/39/84/1291763984.db2.gz FSJRXVYHLJEKSE-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001663722186 1291763989 /nfs/dbraw/zinc/76/39/89/1291763989.db2.gz FSJRXVYHLJEKSE-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001663722186 1291763991 /nfs/dbraw/zinc/76/39/91/1291763991.db2.gz FSJRXVYHLJEKSE-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC001678233193 1292254278 /nfs/dbraw/zinc/25/42/78/1292254278.db2.gz MYIHPOXIESOZCN-MSOLQXFVSA-N 2 1 373.501 0.824 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001685082968 1292420636 /nfs/dbraw/zinc/42/06/36/1292420636.db2.gz OCXOQKJSPQGQPE-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001685620099 1292575017 /nfs/dbraw/zinc/57/50/17/1292575017.db2.gz USZYFSXVYVNSKF-KSZLIROESA-N 2 1 368.522 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001688614922 1294512827 /nfs/dbraw/zinc/51/28/27/1294512827.db2.gz JOYOUPIQZODFKR-ARFHVFGLSA-N 2 1 356.486 0.724 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001688979604 1294557465 /nfs/dbraw/zinc/55/74/65/1294557465.db2.gz COCDCSMJLDLWRH-ARFHVFGLSA-N 2 1 359.536 0.778 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231413 1294687770 /nfs/dbraw/zinc/68/77/70/1294687770.db2.gz DZXWVPKKUWDUDS-JQHSSLGASA-N 2 1 362.518 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231413 1294687784 /nfs/dbraw/zinc/68/77/84/1294687784.db2.gz DZXWVPKKUWDUDS-JQHSSLGASA-N 2 1 362.518 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)C1 ZINC001689231413 1294687793 /nfs/dbraw/zinc/68/77/93/1294687793.db2.gz DZXWVPKKUWDUDS-JQHSSLGASA-N 2 1 362.518 0.635 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)NCC1CC1 ZINC001689234920 1294694996 /nfs/dbraw/zinc/69/49/96/1294694996.db2.gz SUYUBNZIQUGECQ-SJORKVTESA-N 2 1 360.502 0.389 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236420 1294696989 /nfs/dbraw/zinc/69/69/89/1294696989.db2.gz DILHUWGNFLKLNZ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236420 1294697000 /nfs/dbraw/zinc/69/70/00/1294697000.db2.gz DILHUWGNFLKLNZ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236420 1294697007 /nfs/dbraw/zinc/69/70/07/1294697007.db2.gz DILHUWGNFLKLNZ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001690338402 1294865512 /nfs/dbraw/zinc/86/55/12/1294865512.db2.gz VEHXOINFQGVRDE-YIYPIFLZSA-N 2 1 367.494 0.188 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(N)=O ZINC001691847878 1294941197 /nfs/dbraw/zinc/94/11/97/1294941197.db2.gz OEOKTCLJYXZCPB-KEYYUXOJSA-N 2 1 370.457 0.971 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164719053 720245311 /nfs/dbraw/zinc/24/53/11/720245311.db2.gz KSPZASYEWNUKCA-LJQANCHMSA-N 2 1 361.490 0.812 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164719053 720245321 /nfs/dbraw/zinc/24/53/21/720245321.db2.gz KSPZASYEWNUKCA-LJQANCHMSA-N 2 1 361.490 0.812 20 0 FCADMP [NH3+]Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740762 720821242 /nfs/dbraw/zinc/82/12/42/720821242.db2.gz LFFARPWMSNMCMM-RYQLBKOJSA-N 2 1 368.489 0.906 20 0 FCADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]2C1 ZINC001164852061 720857499 /nfs/dbraw/zinc/85/74/99/720857499.db2.gz CAEVCRWTYKYULF-HIFRSBDPSA-N 2 1 362.430 0.586 20 0 FCADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]2C1 ZINC001164852061 720857502 /nfs/dbraw/zinc/85/75/02/720857502.db2.gz CAEVCRWTYKYULF-HIFRSBDPSA-N 2 1 362.430 0.586 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164766404 721074480 /nfs/dbraw/zinc/07/44/80/721074480.db2.gz KETJVTAKDSZUGX-IAGOWNOFSA-N 2 1 367.501 0.857 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164865667 721086555 /nfs/dbraw/zinc/08/65/55/721086555.db2.gz OEXURPXZQDQZQV-IAGOWNOFSA-N 2 1 352.442 0.955 20 0 FCADMP c1csc(C[NH+]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)n1 ZINC001164791106 721412616 /nfs/dbraw/zinc/41/26/16/721412616.db2.gz ZNSGRGMMXIUOKW-GJZGRUSLSA-N 2 1 371.514 0.911 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933313 721880990 /nfs/dbraw/zinc/88/09/90/721880990.db2.gz LXIWIKHJQJIXLN-SJORKVTESA-N 2 1 360.506 0.822 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933313 721880992 /nfs/dbraw/zinc/88/09/92/721880992.db2.gz LXIWIKHJQJIXLN-SJORKVTESA-N 2 1 360.506 0.822 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cncs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327210 837646847 /nfs/dbraw/zinc/64/68/47/837646847.db2.gz XUOXGSXBTAZQBF-YUELXQCFSA-N 2 1 361.475 0.228 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cncs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327210 837646850 /nfs/dbraw/zinc/64/68/50/837646850.db2.gz XUOXGSXBTAZQBF-YUELXQCFSA-N 2 1 361.475 0.228 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070367170 837650128 /nfs/dbraw/zinc/65/01/28/837650128.db2.gz IBKWRVKMOZOWRK-NUJGCVRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001070805784 837681427 /nfs/dbraw/zinc/68/14/27/837681427.db2.gz NYZVRMBBJMHFJK-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC3CC3)CC2)C1 ZINC001071046847 837717901 /nfs/dbraw/zinc/71/79/01/837717901.db2.gz SPDREMMUHZXRTO-KURKYZTESA-N 2 1 351.491 0.713 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC3CC3)CC2)C1 ZINC001071046847 837717909 /nfs/dbraw/zinc/71/79/09/837717909.db2.gz SPDREMMUHZXRTO-KURKYZTESA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC[N@H+]1C ZINC001071081269 837728038 /nfs/dbraw/zinc/72/80/38/837728038.db2.gz TZYLXZVKPRJZCI-OWLYRPNTSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099301130 844013461 /nfs/dbraw/zinc/01/34/61/844013461.db2.gz BGTMOJFPUYAJRA-MVWJERBFSA-N 2 1 350.385 0.181 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001099341599 844033608 /nfs/dbraw/zinc/03/36/08/844033608.db2.gz KLDYMUKKKLAYKF-BFHYXJOUSA-N 2 1 359.396 0.814 20 0 FCADMP C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382760899 836050833 /nfs/dbraw/zinc/05/08/33/836050833.db2.gz WYRAADODAAPUNQ-INIZCTEOSA-N 2 1 352.504 0.733 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101257482 844122544 /nfs/dbraw/zinc/12/25/44/844122544.db2.gz WMRQRVDNTVCFSI-VKJFTORMSA-N 2 1 356.486 0.535 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267400 844126661 /nfs/dbraw/zinc/12/66/61/844126661.db2.gz CDIIBTCFPFLJJP-AYBZRNKSSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341204 844151599 /nfs/dbraw/zinc/15/15/99/844151599.db2.gz APDJGHWNBJMEOM-RKVPGOIHSA-N 2 1 350.507 0.585 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382350 844166737 /nfs/dbraw/zinc/16/67/37/844166737.db2.gz CIWJLOPNJWPJEM-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000820621692 836507087 /nfs/dbraw/zinc/50/70/87/836507087.db2.gz RVRUCHXAPDIRHB-AWEZNQCLSA-N 2 1 354.495 0.922 20 0 FCADMP COCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392849 844172573 /nfs/dbraw/zinc/17/25/73/844172573.db2.gz IIVWJCDZEOVYLJ-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP COCC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392849 844172579 /nfs/dbraw/zinc/17/25/79/844172579.db2.gz IIVWJCDZEOVYLJ-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@]2(C)C1 ZINC001101432235 844184101 /nfs/dbraw/zinc/18/41/01/844184101.db2.gz IIBMARKUNUQELW-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@]2(C)C1 ZINC001101432411 844185305 /nfs/dbraw/zinc/18/53/05/844185305.db2.gz QTVWNZJXOKBDMW-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101437820 844186839 /nfs/dbraw/zinc/18/68/39/844186839.db2.gz QQLONGSLSDRGTQ-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443664 844187524 /nfs/dbraw/zinc/18/75/24/844187524.db2.gz NMNOYNCFJUBZQZ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443664 844187531 /nfs/dbraw/zinc/18/75/31/844187531.db2.gz NMNOYNCFJUBZQZ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443664 844187536 /nfs/dbraw/zinc/18/75/36/844187536.db2.gz NMNOYNCFJUBZQZ-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001060320838 836658848 /nfs/dbraw/zinc/65/88/48/836658848.db2.gz BWIFRIWWLACDHB-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)O1 ZINC001060320838 836658854 /nfs/dbraw/zinc/65/88/54/836658854.db2.gz BWIFRIWWLACDHB-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460418 844193420 /nfs/dbraw/zinc/19/34/20/844193420.db2.gz DUXXJOUDOCDQRZ-MDZRGWNJSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460418 844193425 /nfs/dbraw/zinc/19/34/25/844193425.db2.gz DUXXJOUDOCDQRZ-MDZRGWNJSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460418 844193428 /nfs/dbraw/zinc/19/34/28/844193428.db2.gz DUXXJOUDOCDQRZ-MDZRGWNJSA-N 2 1 350.507 0.585 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461536 844193040 /nfs/dbraw/zinc/19/30/40/844193040.db2.gz HPCILPRHPICPKE-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460668 844193154 /nfs/dbraw/zinc/19/31/54/844193154.db2.gz QXFMCRGMSJTDKD-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460668 844193158 /nfs/dbraw/zinc/19/31/58/844193158.db2.gz QXFMCRGMSJTDKD-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460668 844193165 /nfs/dbraw/zinc/19/31/65/844193165.db2.gz QXFMCRGMSJTDKD-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464304 844194842 /nfs/dbraw/zinc/19/48/42/844194842.db2.gz BLDSDRUQOCPORK-FCEWJHQRSA-N 2 1 350.507 0.907 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478436 844202091 /nfs/dbraw/zinc/20/20/91/844202091.db2.gz NTYYGIVBBLOLGG-NUJGCVRESA-N 2 1 371.547 0.542 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478436 844202103 /nfs/dbraw/zinc/20/21/03/844202103.db2.gz NTYYGIVBBLOLGG-NUJGCVRESA-N 2 1 371.547 0.542 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478436 844202115 /nfs/dbraw/zinc/20/21/15/844202115.db2.gz NTYYGIVBBLOLGG-NUJGCVRESA-N 2 1 371.547 0.542 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065409608 836838148 /nfs/dbraw/zinc/83/81/48/836838148.db2.gz LVNTZSSYPYTQDR-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065409608 836838160 /nfs/dbraw/zinc/83/81/60/836838160.db2.gz LVNTZSSYPYTQDR-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065409608 836838175 /nfs/dbraw/zinc/83/81/75/836838175.db2.gz LVNTZSSYPYTQDR-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876387 837920890 /nfs/dbraw/zinc/92/08/90/837920890.db2.gz PAZZMPWUPHCHLK-GVDBMIGSSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876387 837920895 /nfs/dbraw/zinc/92/08/95/837920895.db2.gz PAZZMPWUPHCHLK-GVDBMIGSSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876387 837920903 /nfs/dbraw/zinc/92/09/03/837920903.db2.gz PAZZMPWUPHCHLK-GVDBMIGSSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001075876387 837920910 /nfs/dbraw/zinc/92/09/10/837920910.db2.gz PAZZMPWUPHCHLK-GVDBMIGSSA-N 2 1 350.507 0.585 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161060 837964128 /nfs/dbraw/zinc/96/41/28/837964128.db2.gz FEOQVXWFSIGRLQ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161060 837964132 /nfs/dbraw/zinc/96/41/32/837964132.db2.gz FEOQVXWFSIGRLQ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161060 837964136 /nfs/dbraw/zinc/96/41/36/837964136.db2.gz FEOQVXWFSIGRLQ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161060 837964140 /nfs/dbraw/zinc/96/41/40/837964140.db2.gz FEOQVXWFSIGRLQ-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819275 844280950 /nfs/dbraw/zinc/28/09/50/844280950.db2.gz CVDDYQIZJGIJDG-UPJWGTAASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819275 844280959 /nfs/dbraw/zinc/28/09/59/844280959.db2.gz CVDDYQIZJGIJDG-UPJWGTAASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101819275 844280966 /nfs/dbraw/zinc/28/09/66/844280966.db2.gz CVDDYQIZJGIJDG-UPJWGTAASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101819275 844280976 /nfs/dbraw/zinc/28/09/76/844280976.db2.gz CVDDYQIZJGIJDG-UPJWGTAASA-N 2 1 364.412 0.443 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001076751312 838084562 /nfs/dbraw/zinc/08/45/62/838084562.db2.gz ICNNSCHGNFKJBQ-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974890 844356578 /nfs/dbraw/zinc/35/65/78/844356578.db2.gz VKSLHSLRDLMROC-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982709 844361247 /nfs/dbraw/zinc/36/12/47/844361247.db2.gz FDSNOBOKJAWVBM-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982709 844361258 /nfs/dbraw/zinc/36/12/58/844361258.db2.gz FDSNOBOKJAWVBM-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982709 844361268 /nfs/dbraw/zinc/36/12/68/844361268.db2.gz FDSNOBOKJAWVBM-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)O1 ZINC001077220592 838825363 /nfs/dbraw/zinc/82/53/63/838825363.db2.gz PILZQDYHGXHTQH-MWQQHZPXSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)O1 ZINC001077220592 838825376 /nfs/dbraw/zinc/82/53/76/838825376.db2.gz PILZQDYHGXHTQH-MWQQHZPXSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)O1 ZINC001077220592 838825390 /nfs/dbraw/zinc/82/53/90/838825390.db2.gz PILZQDYHGXHTQH-MWQQHZPXSA-N 2 1 351.491 0.447 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)O1 ZINC001077220592 838825403 /nfs/dbraw/zinc/82/54/03/838825403.db2.gz PILZQDYHGXHTQH-MWQQHZPXSA-N 2 1 351.491 0.447 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102013324 844373735 /nfs/dbraw/zinc/37/37/35/844373735.db2.gz VORUFGXTYFDPOV-BZUAXINKSA-N 2 1 354.474 0.642 20 0 FCADMP CC(C)(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418455 838957981 /nfs/dbraw/zinc/95/79/81/838957981.db2.gz OXUPGZGWHMSIKX-HQWNSDKXSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418455 838957985 /nfs/dbraw/zinc/95/79/85/838957985.db2.gz OXUPGZGWHMSIKX-HQWNSDKXSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418455 838957989 /nfs/dbraw/zinc/95/79/89/838957989.db2.gz OXUPGZGWHMSIKX-HQWNSDKXSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505119 839004217 /nfs/dbraw/zinc/00/42/17/839004217.db2.gz PAFVIXYGYWTZSH-HUUCEWRRSA-N 2 1 352.504 0.721 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505119 839004227 /nfs/dbraw/zinc/00/42/27/839004227.db2.gz PAFVIXYGYWTZSH-HUUCEWRRSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553270 839030895 /nfs/dbraw/zinc/03/08/95/839030895.db2.gz IPZRPNANFJRGCL-USXIJHARSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553270 839030897 /nfs/dbraw/zinc/03/08/97/839030897.db2.gz IPZRPNANFJRGCL-USXIJHARSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553270 839030909 /nfs/dbraw/zinc/03/09/09/839030909.db2.gz IPZRPNANFJRGCL-USXIJHARSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077553270 839030922 /nfs/dbraw/zinc/03/09/22/839030922.db2.gz IPZRPNANFJRGCL-USXIJHARSA-N 2 1 366.531 0.969 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045946 844393875 /nfs/dbraw/zinc/39/38/75/844393875.db2.gz DHSAQBAFWWCJEC-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777305 839151372 /nfs/dbraw/zinc/15/13/72/839151372.db2.gz GXRABASQGGPDIR-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778343 839152348 /nfs/dbraw/zinc/15/23/48/839152348.db2.gz DZIBISMHCGBMFD-HUUCEWRRSA-N 2 1 352.504 0.845 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778343 839152355 /nfs/dbraw/zinc/15/23/55/839152355.db2.gz DZIBISMHCGBMFD-HUUCEWRRSA-N 2 1 352.504 0.845 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001102086074 844408708 /nfs/dbraw/zinc/40/87/08/844408708.db2.gz OSMCQIBJSVYQSD-JHJVBQTASA-N 2 1 366.428 0.689 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001102086074 844408713 /nfs/dbraw/zinc/40/87/13/844408713.db2.gz OSMCQIBJSVYQSD-JHJVBQTASA-N 2 1 366.428 0.689 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102090847 844409054 /nfs/dbraw/zinc/40/90/54/844409054.db2.gz HEKRRRJAJGADMN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001102090847 844409057 /nfs/dbraw/zinc/40/90/57/844409057.db2.gz HEKRRRJAJGADMN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001102090847 844409060 /nfs/dbraw/zinc/40/90/60/844409060.db2.gz HEKRRRJAJGADMN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102101195 844415111 /nfs/dbraw/zinc/41/51/11/844415111.db2.gz RCYAMAPMTAQVAU-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102101195 844415116 /nfs/dbraw/zinc/41/51/16/844415116.db2.gz RCYAMAPMTAQVAU-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102101195 844415121 /nfs/dbraw/zinc/41/51/21/844415121.db2.gz RCYAMAPMTAQVAU-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006246 839288016 /nfs/dbraw/zinc/28/80/16/839288016.db2.gz XAJKXHJRIFKRBW-KBRIMQKVSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006246 839288025 /nfs/dbraw/zinc/28/80/25/839288025.db2.gz XAJKXHJRIFKRBW-KBRIMQKVSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006246 839288038 /nfs/dbraw/zinc/28/80/38/839288038.db2.gz XAJKXHJRIFKRBW-KBRIMQKVSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006246 839288055 /nfs/dbraw/zinc/28/80/55/839288055.db2.gz XAJKXHJRIFKRBW-KBRIMQKVSA-N 2 1 350.463 0.549 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013244 839294049 /nfs/dbraw/zinc/29/40/49/839294049.db2.gz YCXQQIFDSBNKBF-IXDOHACOSA-N 2 1 351.491 0.185 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209173 839404879 /nfs/dbraw/zinc/40/48/79/839404879.db2.gz BWSGFWRRQJLZQN-KZNAEPCWSA-N 2 1 351.491 0.759 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209173 839404887 /nfs/dbraw/zinc/40/48/87/839404887.db2.gz BWSGFWRRQJLZQN-KZNAEPCWSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209173 839404891 /nfs/dbraw/zinc/40/48/91/839404891.db2.gz BWSGFWRRQJLZQN-KZNAEPCWSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078209173 839404896 /nfs/dbraw/zinc/40/48/96/839404896.db2.gz BWSGFWRRQJLZQN-KZNAEPCWSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2O)o1 ZINC001078261831 839433219 /nfs/dbraw/zinc/43/32/19/839433219.db2.gz HVVVNXOZUXLOEG-FVQBIDKESA-N 2 1 353.463 0.931 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185709 844436477 /nfs/dbraw/zinc/43/64/77/844436477.db2.gz PRIMJWNMLOOJPF-OIISXLGYSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185709 844436478 /nfs/dbraw/zinc/43/64/78/844436478.db2.gz PRIMJWNMLOOJPF-OIISXLGYSA-N 2 1 371.547 0.590 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189950 844439978 /nfs/dbraw/zinc/43/99/78/844439978.db2.gz KBFQGTAIJLEKMI-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190501 844440051 /nfs/dbraw/zinc/44/00/51/844440051.db2.gz ASLJIRWSRFKCPQ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227287 839494711 /nfs/dbraw/zinc/49/47/11/839494711.db2.gz LWQDVPOTKVLLNE-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001079717402 839579619 /nfs/dbraw/zinc/57/96/19/839579619.db2.gz GZSHWYLKFVSKIA-HLLBOEOZSA-N 2 1 351.495 0.920 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001079717401 839580201 /nfs/dbraw/zinc/58/02/01/839580201.db2.gz GZSHWYLKFVSKIA-BFYDXBDKSA-N 2 1 351.495 0.920 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805512 839597708 /nfs/dbraw/zinc/59/77/08/839597708.db2.gz ULEXRNAJQDHCOI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805512 839597714 /nfs/dbraw/zinc/59/77/14/839597714.db2.gz ULEXRNAJQDHCOI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805512 839597729 /nfs/dbraw/zinc/59/77/29/839597729.db2.gz ULEXRNAJQDHCOI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079805512 839597743 /nfs/dbraw/zinc/59/77/43/839597743.db2.gz ULEXRNAJQDHCOI-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001080015446 839645946 /nfs/dbraw/zinc/64/59/46/839645946.db2.gz LHJAYMYUXUGQNT-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001080015446 839645950 /nfs/dbraw/zinc/64/59/50/839645950.db2.gz LHJAYMYUXUGQNT-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102295296 844460056 /nfs/dbraw/zinc/46/00/56/844460056.db2.gz CIKMCGMRBXRKMO-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001080145039 839674689 /nfs/dbraw/zinc/67/46/89/839674689.db2.gz DKAUGEAHIVZHKN-VNQPRFMTSA-N 2 1 354.495 0.105 20 0 FCADMP CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001080145039 839674695 /nfs/dbraw/zinc/67/46/95/839674695.db2.gz DKAUGEAHIVZHKN-VNQPRFMTSA-N 2 1 354.495 0.105 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161112 839675463 /nfs/dbraw/zinc/67/54/63/839675463.db2.gz MYVNMAJBZGXLBG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161112 839675468 /nfs/dbraw/zinc/67/54/68/839675468.db2.gz MYVNMAJBZGXLBG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncs2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161112 839675474 /nfs/dbraw/zinc/67/54/74/839675474.db2.gz MYVNMAJBZGXLBG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncs2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161112 839675481 /nfs/dbraw/zinc/67/54/81/839675481.db2.gz MYVNMAJBZGXLBG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255078 839691844 /nfs/dbraw/zinc/69/18/44/839691844.db2.gz OAEDENCFJYZKCZ-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255078 839691846 /nfs/dbraw/zinc/69/18/46/839691846.db2.gz OAEDENCFJYZKCZ-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080448845 839727510 /nfs/dbraw/zinc/72/75/10/839727510.db2.gz DLYYDOBNOALBAZ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080448845 839727514 /nfs/dbraw/zinc/72/75/14/839727514.db2.gz DLYYDOBNOALBAZ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080448845 839727522 /nfs/dbraw/zinc/72/75/22/839727522.db2.gz DLYYDOBNOALBAZ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319038 844466239 /nfs/dbraw/zinc/46/62/39/844466239.db2.gz WFSQXMWWAOSYAQ-GDBMZVCRSA-N 2 1 359.536 0.447 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320561 844466316 /nfs/dbraw/zinc/46/63/16/844466316.db2.gz IJKAQXDLKNCJKX-OWCLPIDISA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319060 844466371 /nfs/dbraw/zinc/46/63/71/844466371.db2.gz XCWPWTUUBMUOJI-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781419 839799176 /nfs/dbraw/zinc/79/91/76/839799176.db2.gz ZSXBPHIUQUYISR-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781419 839799182 /nfs/dbraw/zinc/79/91/82/839799182.db2.gz ZSXBPHIUQUYISR-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080781419 839799186 /nfs/dbraw/zinc/79/91/86/839799186.db2.gz ZSXBPHIUQUYISR-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080781419 839799193 /nfs/dbraw/zinc/79/91/93/839799193.db2.gz ZSXBPHIUQUYISR-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001102356575 844473830 /nfs/dbraw/zinc/47/38/30/844473830.db2.gz QCIRQWPSOUDTLT-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001102356575 844473835 /nfs/dbraw/zinc/47/38/35/844473835.db2.gz QCIRQWPSOUDTLT-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375586 844480789 /nfs/dbraw/zinc/48/07/89/844480789.db2.gz REDCCJRCIPWVHD-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375586 844480793 /nfs/dbraw/zinc/48/07/93/844480793.db2.gz REDCCJRCIPWVHD-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)n2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375586 844480797 /nfs/dbraw/zinc/48/07/97/844480797.db2.gz REDCCJRCIPWVHD-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnn(C)n2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375586 844480800 /nfs/dbraw/zinc/48/08/00/844480800.db2.gz REDCCJRCIPWVHD-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375455 844480851 /nfs/dbraw/zinc/48/08/51/844480851.db2.gz KMYCSYIXORMIIJ-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375455 844480859 /nfs/dbraw/zinc/48/08/59/844480859.db2.gz KMYCSYIXORMIIJ-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375455 844480863 /nfs/dbraw/zinc/48/08/63/844480863.db2.gz KMYCSYIXORMIIJ-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102381795 844481759 /nfs/dbraw/zinc/48/17/59/844481759.db2.gz CBIGWXUAOACNQK-OAGGEKHMSA-N 2 1 361.552 0.836 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001102380836 844482450 /nfs/dbraw/zinc/48/24/50/844482450.db2.gz ZAGPHOIBPWTHPA-OIISXLGYSA-N 2 1 356.511 0.163 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081693975 840002913 /nfs/dbraw/zinc/00/29/13/840002913.db2.gz BBDMGXLVCBPKCS-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081693975 840002919 /nfs/dbraw/zinc/00/29/19/840002919.db2.gz BBDMGXLVCBPKCS-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081693975 840002933 /nfs/dbraw/zinc/00/29/33/840002933.db2.gz BBDMGXLVCBPKCS-VDHUWJSZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434072 844497545 /nfs/dbraw/zinc/49/75/45/844497545.db2.gz NFYTZBFTCCFEOC-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072798 840174277 /nfs/dbraw/zinc/17/42/77/840174277.db2.gz IVLPUQZOZFJWPP-NUEKZKHPSA-N 2 1 351.447 0.807 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072798 840174285 /nfs/dbraw/zinc/17/42/85/840174285.db2.gz IVLPUQZOZFJWPP-NUEKZKHPSA-N 2 1 351.447 0.807 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475504 844516400 /nfs/dbraw/zinc/51/64/00/844516400.db2.gz REDVTSHFMBKZKC-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479774 844519363 /nfs/dbraw/zinc/51/93/63/844519363.db2.gz HLOJWIXHPAANOS-ZACQAIPSSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271454 840268452 /nfs/dbraw/zinc/26/84/52/840268452.db2.gz BBFOGFWIDZWGKR-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271454 840268465 /nfs/dbraw/zinc/26/84/65/840268465.db2.gz BBFOGFWIDZWGKR-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493895 844528625 /nfs/dbraw/zinc/52/86/25/844528625.db2.gz NPRYJAHLUXEPIE-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082450129 840416099 /nfs/dbraw/zinc/41/60/99/840416099.db2.gz YNLNLGHYJFTLMK-YUELXQCFSA-N 2 1 369.487 0.714 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082450104 840416754 /nfs/dbraw/zinc/41/67/54/840416754.db2.gz XJMSMQIFQAJUNH-BPLDGKMQSA-N 2 1 352.504 0.749 20 0 FCADMP Cc1noc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513763 844544856 /nfs/dbraw/zinc/54/48/56/844544856.db2.gz AHZOZCQRTYQRAR-UMVBOHGHSA-N 2 1 353.467 0.701 20 0 FCADMP Cc1noc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513763 844544862 /nfs/dbraw/zinc/54/48/62/844544862.db2.gz AHZOZCQRTYQRAR-UMVBOHGHSA-N 2 1 353.467 0.701 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001082646224 840509904 /nfs/dbraw/zinc/50/99/04/840509904.db2.gz FMXPALBPPZDVFW-FVQBIDKESA-N 2 1 368.503 0.453 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082653626 840512736 /nfs/dbraw/zinc/51/27/36/840512736.db2.gz UMXLICRVZKIORB-TUFIUFKWSA-N 2 1 363.487 0.338 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082653626 840512741 /nfs/dbraw/zinc/51/27/41/840512741.db2.gz UMXLICRVZKIORB-TUFIUFKWSA-N 2 1 363.487 0.338 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520886 844550394 /nfs/dbraw/zinc/55/03/94/844550394.db2.gz GKABHWUTYOEDHW-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082807324 840570165 /nfs/dbraw/zinc/57/01/65/840570165.db2.gz ARSKCYZZDKXAAY-GDBMZVCRSA-N 2 1 369.897 0.695 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082919914 840602124 /nfs/dbraw/zinc/60/21/24/840602124.db2.gz KBSFMAIBGSZZJW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001082933649 840612638 /nfs/dbraw/zinc/61/26/38/840612638.db2.gz COBHTAICNCUPHX-KBRIMQKVSA-N 2 1 350.438 0.878 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001082933649 840612644 /nfs/dbraw/zinc/61/26/44/840612644.db2.gz COBHTAICNCUPHX-KBRIMQKVSA-N 2 1 350.438 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579323 844574359 /nfs/dbraw/zinc/57/43/59/844574359.db2.gz RZDXRLJWKWDQRP-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583167 844577591 /nfs/dbraw/zinc/57/75/91/844577591.db2.gz ZYMCECDNFGAZPD-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601767 844592095 /nfs/dbraw/zinc/59/20/95/844592095.db2.gz OZLYBJQRIPNJLK-JFIYKMOQSA-N 2 1 352.523 0.879 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600816 844592375 /nfs/dbraw/zinc/59/23/75/844592375.db2.gz WTIPXWNYARJWHX-BRWVUGGUSA-N 2 1 359.511 0.035 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600816 844592382 /nfs/dbraw/zinc/59/23/82/844592382.db2.gz WTIPXWNYARJWHX-BRWVUGGUSA-N 2 1 359.511 0.035 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600816 844592386 /nfs/dbraw/zinc/59/23/86/844592386.db2.gz WTIPXWNYARJWHX-BRWVUGGUSA-N 2 1 359.511 0.035 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612602 844601004 /nfs/dbraw/zinc/60/10/04/844601004.db2.gz OWNSUWADCRROHI-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723444 841358169 /nfs/dbraw/zinc/35/81/69/841358169.db2.gz KLIGRLFYJRSQLV-QLFBSQMISA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723444 841358181 /nfs/dbraw/zinc/35/81/81/841358181.db2.gz KLIGRLFYJRSQLV-QLFBSQMISA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723444 841358192 /nfs/dbraw/zinc/35/81/92/841358192.db2.gz KLIGRLFYJRSQLV-QLFBSQMISA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723444 841358204 /nfs/dbraw/zinc/35/82/04/841358204.db2.gz KLIGRLFYJRSQLV-QLFBSQMISA-N 2 1 361.433 0.302 20 0 FCADMP CSc1ncc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001275795520 861193847 /nfs/dbraw/zinc/19/38/47/861193847.db2.gz GJTLHSPGJGONCR-QGZVFWFLSA-N 2 1 364.519 0.767 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727556 841369471 /nfs/dbraw/zinc/36/94/71/841369471.db2.gz IRZRUFUHFLXIRG-UGQVUOCMSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@H+]1C ZINC001083727556 841369483 /nfs/dbraw/zinc/36/94/83/841369483.db2.gz IRZRUFUHFLXIRG-UGQVUOCMSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001083727556 841369491 /nfs/dbraw/zinc/36/94/91/841369491.db2.gz IRZRUFUHFLXIRG-UGQVUOCMSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001083727556 841369503 /nfs/dbraw/zinc/36/95/03/841369503.db2.gz IRZRUFUHFLXIRG-UGQVUOCMSA-N 2 1 352.504 0.577 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778308 841422225 /nfs/dbraw/zinc/42/22/25/841422225.db2.gz IESAIVGINYECSP-CFVMTHIKSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778308 841422236 /nfs/dbraw/zinc/42/22/36/841422236.db2.gz IESAIVGINYECSP-CFVMTHIKSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778308 841422243 /nfs/dbraw/zinc/42/22/43/841422243.db2.gz IESAIVGINYECSP-CFVMTHIKSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778308 841422247 /nfs/dbraw/zinc/42/22/47/841422247.db2.gz IESAIVGINYECSP-CFVMTHIKSA-N 2 1 352.504 0.640 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083908779 841556803 /nfs/dbraw/zinc/55/68/03/841556803.db2.gz WOZQXZVLFOHEBZ-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937157 841581449 /nfs/dbraw/zinc/58/14/49/841581449.db2.gz OZIPQXZNBOUONV-NXHRZFHOSA-N 2 1 351.491 0.306 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937156 841582205 /nfs/dbraw/zinc/58/22/05/841582205.db2.gz OZIPQXZNBOUONV-JQHSSLGASA-N 2 1 351.491 0.306 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955137 841602493 /nfs/dbraw/zinc/60/24/93/841602493.db2.gz YDVOIKUIPLAFLA-BMFZPTHFSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955137 841602498 /nfs/dbraw/zinc/60/24/98/841602498.db2.gz YDVOIKUIPLAFLA-BMFZPTHFSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955137 841602508 /nfs/dbraw/zinc/60/25/08/841602508.db2.gz YDVOIKUIPLAFLA-BMFZPTHFSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955137 841602514 /nfs/dbraw/zinc/60/25/14/841602514.db2.gz YDVOIKUIPLAFLA-BMFZPTHFSA-N 2 1 350.463 0.549 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056604 841670611 /nfs/dbraw/zinc/67/06/11/841670611.db2.gz GLIHCTOPIANRKJ-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056604 841670617 /nfs/dbraw/zinc/67/06/17/841670617.db2.gz GLIHCTOPIANRKJ-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056604 841670621 /nfs/dbraw/zinc/67/06/21/841670621.db2.gz GLIHCTOPIANRKJ-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056604 841670626 /nfs/dbraw/zinc/67/06/26/841670626.db2.gz GLIHCTOPIANRKJ-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001084059315 841672863 /nfs/dbraw/zinc/67/28/63/841672863.db2.gz CCHQOGFGKIJNIS-SJORKVTESA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001084059315 841672868 /nfs/dbraw/zinc/67/28/68/841672868.db2.gz CCHQOGFGKIJNIS-SJORKVTESA-N 2 1 350.463 0.560 20 0 FCADMP COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450794 841797597 /nfs/dbraw/zinc/79/75/97/841797597.db2.gz ZLRCNQMVKJQEKA-GVDBMIGSSA-N 2 1 353.507 0.912 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001275878884 861242952 /nfs/dbraw/zinc/24/29/52/861242952.db2.gz MPWMHDNAYCDSLI-QFBILLFUSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878884 861242962 /nfs/dbraw/zinc/24/29/62/861242962.db2.gz MPWMHDNAYCDSLI-QFBILLFUSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878884 861242970 /nfs/dbraw/zinc/24/29/70/861242970.db2.gz MPWMHDNAYCDSLI-QFBILLFUSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001275878884 861242977 /nfs/dbraw/zinc/24/29/77/861242977.db2.gz MPWMHDNAYCDSLI-QFBILLFUSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001275878884 861242987 /nfs/dbraw/zinc/24/29/87/861242987.db2.gz MPWMHDNAYCDSLI-QFBILLFUSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001275879389 861243440 /nfs/dbraw/zinc/24/34/40/861243440.db2.gz OFPWZKZJCVHOCZ-HOTGVXAUSA-N 2 1 350.507 0.683 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879209 861244070 /nfs/dbraw/zinc/24/40/70/861244070.db2.gz OUKZEMLSFMIVDC-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880068 861245327 /nfs/dbraw/zinc/24/53/27/861245327.db2.gz SUVNFLLLXIYWAC-HNAYVOBHSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880068 861245339 /nfs/dbraw/zinc/24/53/39/861245339.db2.gz SUVNFLLLXIYWAC-HNAYVOBHSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001275880068 861245351 /nfs/dbraw/zinc/24/53/51/861245351.db2.gz SUVNFLLLXIYWAC-HNAYVOBHSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880068 861245361 /nfs/dbraw/zinc/24/53/61/861245361.db2.gz SUVNFLLLXIYWAC-HNAYVOBHSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881212 861246294 /nfs/dbraw/zinc/24/62/94/861246294.db2.gz XXNYCCQZYDWENQ-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881212 861246303 /nfs/dbraw/zinc/24/63/03/861246303.db2.gz XXNYCCQZYDWENQ-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275881212 861246315 /nfs/dbraw/zinc/24/63/15/861246315.db2.gz XXNYCCQZYDWENQ-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275881212 861246324 /nfs/dbraw/zinc/24/63/24/861246324.db2.gz XXNYCCQZYDWENQ-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001084722349 841900614 /nfs/dbraw/zinc/90/06/14/841900614.db2.gz LCHIUDMLAASAJE-RCCFBDPRSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001084722349 841900618 /nfs/dbraw/zinc/90/06/18/841900618.db2.gz LCHIUDMLAASAJE-RCCFBDPRSA-N 2 1 351.491 0.668 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911430 841952746 /nfs/dbraw/zinc/95/27/46/841952746.db2.gz BPLPMODVVFOUPH-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911430 841952752 /nfs/dbraw/zinc/95/27/52/841952752.db2.gz BPLPMODVVFOUPH-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911430 841952756 /nfs/dbraw/zinc/95/27/56/841952756.db2.gz BPLPMODVVFOUPH-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911430 841952761 /nfs/dbraw/zinc/95/27/61/841952761.db2.gz BPLPMODVVFOUPH-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1)[NH+](C)C ZINC001084970428 841973257 /nfs/dbraw/zinc/97/32/57/841973257.db2.gz FSNYMRJSUAVYDX-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)CC1 ZINC001085062771 842003477 /nfs/dbraw/zinc/00/34/77/842003477.db2.gz UAMITZRMKXATAR-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)CC1 ZINC001085062771 842003490 /nfs/dbraw/zinc/00/34/90/842003490.db2.gz UAMITZRMKXATAR-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085152666 842027996 /nfs/dbraw/zinc/02/79/96/842027996.db2.gz MXNDRLJFHPBTRG-KFWWJZLASA-N 2 1 350.463 0.247 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001085422394 842099147 /nfs/dbraw/zinc/09/91/47/842099147.db2.gz RMNVMPMTSHDHQD-MGPQQGTHSA-N 2 1 351.451 0.685 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001085422394 842099160 /nfs/dbraw/zinc/09/91/60/842099160.db2.gz RMNVMPMTSHDHQD-MGPQQGTHSA-N 2 1 351.451 0.685 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001085603696 842108254 /nfs/dbraw/zinc/10/82/54/842108254.db2.gz LWNZFCUXWHWLJO-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001085603696 842108261 /nfs/dbraw/zinc/10/82/61/842108261.db2.gz LWNZFCUXWHWLJO-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001085603696 842108268 /nfs/dbraw/zinc/10/82/68/842108268.db2.gz LWNZFCUXWHWLJO-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001085603696 842108278 /nfs/dbraw/zinc/10/82/78/842108278.db2.gz LWNZFCUXWHWLJO-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@H+]1C ZINC001085606419 842109419 /nfs/dbraw/zinc/10/94/19/842109419.db2.gz MJPZNLYCXAKSHJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001085606419 842109427 /nfs/dbraw/zinc/10/94/27/842109427.db2.gz MJPZNLYCXAKSHJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001085606419 842109433 /nfs/dbraw/zinc/10/94/33/842109433.db2.gz MJPZNLYCXAKSHJ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090475 842119253 /nfs/dbraw/zinc/11/92/53/842119253.db2.gz AYABSCZETKNQBD-DGXTUMSLSA-N 2 1 357.520 0.246 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090512 842119544 /nfs/dbraw/zinc/11/95/44/842119544.db2.gz CHYDVPVEZDGIGI-OVYGPGRDSA-N 2 1 371.547 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086370856 842128570 /nfs/dbraw/zinc/12/85/70/842128570.db2.gz CBQDLOPGCKXGPF-QUSNUVHPSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001086400717 842131368 /nfs/dbraw/zinc/13/13/68/842131368.db2.gz UHKCWCSZTRDGGP-RRCSTGOVSA-N 2 1 369.897 0.740 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001086400717 842131371 /nfs/dbraw/zinc/13/13/71/842131371.db2.gz UHKCWCSZTRDGGP-RRCSTGOVSA-N 2 1 369.897 0.740 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC001086665627 842147409 /nfs/dbraw/zinc/14/74/09/842147409.db2.gz JSLYIGNYNYNAST-GZBFAFLISA-N 2 1 352.435 0.388 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001086665627 842147411 /nfs/dbraw/zinc/14/74/11/842147411.db2.gz JSLYIGNYNYNAST-GZBFAFLISA-N 2 1 352.435 0.388 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086733889 842161932 /nfs/dbraw/zinc/16/19/32/842161932.db2.gz IYEILWZEWFUPLB-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1)C(N)=O ZINC001086739660 842162604 /nfs/dbraw/zinc/16/26/04/842162604.db2.gz LLKKQWNNOWHPGH-OUCADQQQSA-N 2 1 351.451 0.488 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087034375 842230665 /nfs/dbraw/zinc/23/06/65/842230665.db2.gz CATYVXYNALMRCX-QLFBSQMISA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087034375 842230679 /nfs/dbraw/zinc/23/06/79/842230679.db2.gz CATYVXYNALMRCX-QLFBSQMISA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087038745 842235825 /nfs/dbraw/zinc/23/58/25/842235825.db2.gz XCALBDDEQMMXKI-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087038745 842235835 /nfs/dbraw/zinc/23/58/35/842235835.db2.gz XCALBDDEQMMXKI-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087059414 842253786 /nfs/dbraw/zinc/25/37/86/842253786.db2.gz DMGRBYZTVQRJED-BMFZPTHFSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087063082 842259151 /nfs/dbraw/zinc/25/91/51/842259151.db2.gz HWQHVVCMVGEOGX-VNQPRFMTSA-N 2 1 351.451 0.507 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083750 842276296 /nfs/dbraw/zinc/27/62/96/842276296.db2.gz QUWLORZOYWCATG-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087096347 842287177 /nfs/dbraw/zinc/28/71/77/842287177.db2.gz JLLCIZIIYAAPCM-ZMSDIMECSA-N 2 1 350.463 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087100908 842289128 /nfs/dbraw/zinc/28/91/28/842289128.db2.gz KPBPULWNQDDULB-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087100398 842290323 /nfs/dbraw/zinc/29/03/23/842290323.db2.gz RDLRUKDHMMVPPO-BZUAXINKSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087523368 842344227 /nfs/dbraw/zinc/34/42/27/842344227.db2.gz TZPCWMIPXHEAAG-RRFJBIMHSA-N 2 1 350.463 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087523368 842344234 /nfs/dbraw/zinc/34/42/34/842344234.db2.gz TZPCWMIPXHEAAG-RRFJBIMHSA-N 2 1 350.463 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087523368 842344248 /nfs/dbraw/zinc/34/42/48/842344248.db2.gz TZPCWMIPXHEAAG-RRFJBIMHSA-N 2 1 350.463 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087711423 842411906 /nfs/dbraw/zinc/41/19/06/842411906.db2.gz CRFHNFFAHSRVOL-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001087726511 842416094 /nfs/dbraw/zinc/41/60/94/842416094.db2.gz IUWKNALJLGFCKZ-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087726511 842416097 /nfs/dbraw/zinc/41/60/97/842416097.db2.gz IUWKNALJLGFCKZ-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087726511 842416102 /nfs/dbraw/zinc/41/61/02/842416102.db2.gz IUWKNALJLGFCKZ-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992318 842493263 /nfs/dbraw/zinc/49/32/63/842493263.db2.gz PBUGKBAPCURBNC-IKGGRYGDSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992318 842493267 /nfs/dbraw/zinc/49/32/67/842493267.db2.gz PBUGKBAPCURBNC-IKGGRYGDSA-N 2 1 350.507 0.491 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992318 842493270 /nfs/dbraw/zinc/49/32/70/842493270.db2.gz PBUGKBAPCURBNC-IKGGRYGDSA-N 2 1 350.507 0.491 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CC1 ZINC001087993182 842494149 /nfs/dbraw/zinc/49/41/49/842494149.db2.gz DKRDVPWRSVLKFH-PMPSAXMXSA-N 2 1 357.520 0.152 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CC1 ZINC001087993182 842494158 /nfs/dbraw/zinc/49/41/58/842494158.db2.gz DKRDVPWRSVLKFH-PMPSAXMXSA-N 2 1 357.520 0.152 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999753 842496586 /nfs/dbraw/zinc/49/65/86/842496586.db2.gz YRMGXDWIGAKIEY-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999753 842496590 /nfs/dbraw/zinc/49/65/90/842496590.db2.gz YRMGXDWIGAKIEY-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999753 842496595 /nfs/dbraw/zinc/49/65/95/842496595.db2.gz YRMGXDWIGAKIEY-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999753 842496598 /nfs/dbraw/zinc/49/65/98/842496598.db2.gz YRMGXDWIGAKIEY-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090868 842529405 /nfs/dbraw/zinc/52/94/05/842529405.db2.gz JRXNHNUFWQGQHE-UAGQMJEPSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150846 842545187 /nfs/dbraw/zinc/54/51/87/842545187.db2.gz ZHFYDJIYZNMTHQ-IXDOHACOSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211967 842562409 /nfs/dbraw/zinc/56/24/09/842562409.db2.gz IIPLVONKUXKJIS-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574485 842617079 /nfs/dbraw/zinc/61/70/79/842617079.db2.gz YITWDSQHEYPZGH-BGTYHANMSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001088860379 842698207 /nfs/dbraw/zinc/69/82/07/842698207.db2.gz IWRUEGGMGNCINC-CABCVRRESA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCN1CCNC1=O ZINC001088860379 842698209 /nfs/dbraw/zinc/69/82/09/842698209.db2.gz IWRUEGGMGNCINC-CABCVRRESA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCN1CCNC1=O ZINC001088860379 842698215 /nfs/dbraw/zinc/69/82/15/842698215.db2.gz IWRUEGGMGNCINC-CABCVRRESA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001089037372 842749708 /nfs/dbraw/zinc/74/97/08/842749708.db2.gz BVCOJWYHRDLTCV-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001089037372 842749717 /nfs/dbraw/zinc/74/97/17/842749717.db2.gz BVCOJWYHRDLTCV-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001089037372 842749726 /nfs/dbraw/zinc/74/97/26/842749726.db2.gz BVCOJWYHRDLTCV-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001089037372 842749732 /nfs/dbraw/zinc/74/97/32/842749732.db2.gz BVCOJWYHRDLTCV-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213942 861356101 /nfs/dbraw/zinc/35/61/01/861356101.db2.gz CLPAQMAQTKMFOM-CQSZACIVSA-N 2 1 352.479 0.702 20 0 FCADMP C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213942 861356118 /nfs/dbraw/zinc/35/61/18/861356118.db2.gz CLPAQMAQTKMFOM-CQSZACIVSA-N 2 1 352.479 0.702 20 0 FCADMP C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213942 861356138 /nfs/dbraw/zinc/35/61/38/861356138.db2.gz CLPAQMAQTKMFOM-CQSZACIVSA-N 2 1 352.479 0.702 20 0 FCADMP C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCN3C(=O)OC(C)(C)C)C2)C1 ZINC001276213942 861356152 /nfs/dbraw/zinc/35/61/52/861356152.db2.gz CLPAQMAQTKMFOM-CQSZACIVSA-N 2 1 352.479 0.702 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091735753 843085132 /nfs/dbraw/zinc/08/51/32/843085132.db2.gz WNBSVAQRGWFZPG-SUMDDJOVSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091735753 843085139 /nfs/dbraw/zinc/08/51/39/843085139.db2.gz WNBSVAQRGWFZPG-SUMDDJOVSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091735753 843085151 /nfs/dbraw/zinc/08/51/51/843085151.db2.gz WNBSVAQRGWFZPG-SUMDDJOVSA-N 2 1 351.491 0.402 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736857 843086282 /nfs/dbraw/zinc/08/62/82/843086282.db2.gz GFCQOMMOUGAGQG-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736857 843086292 /nfs/dbraw/zinc/08/62/92/843086292.db2.gz GFCQOMMOUGAGQG-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736857 843086302 /nfs/dbraw/zinc/08/63/02/843086302.db2.gz GFCQOMMOUGAGQG-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091783927 843093208 /nfs/dbraw/zinc/09/32/08/843093208.db2.gz KTAIZGNAGDFBAN-FCEWJHQRSA-N 2 1 353.507 0.506 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133475 843397012 /nfs/dbraw/zinc/39/70/12/843397012.db2.gz HGWWKNXNSNNCCF-OWCLPIDISA-N 2 1 369.531 0.201 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195621 843405278 /nfs/dbraw/zinc/40/52/78/843405278.db2.gz SEDVHSCGWTYUKR-VNQPRFMTSA-N 2 1 366.531 0.854 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093195621 843405287 /nfs/dbraw/zinc/40/52/87/843405287.db2.gz SEDVHSCGWTYUKR-VNQPRFMTSA-N 2 1 366.531 0.854 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093195621 843405293 /nfs/dbraw/zinc/40/52/93/843405293.db2.gz SEDVHSCGWTYUKR-VNQPRFMTSA-N 2 1 366.531 0.854 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208786 843407310 /nfs/dbraw/zinc/40/73/10/843407310.db2.gz GOHBLWQCKRMCLZ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208786 843407313 /nfs/dbraw/zinc/40/73/13/843407313.db2.gz GOHBLWQCKRMCLZ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208786 843407319 /nfs/dbraw/zinc/40/73/19/843407319.db2.gz GOHBLWQCKRMCLZ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208786 843407323 /nfs/dbraw/zinc/40/73/23/843407323.db2.gz GOHBLWQCKRMCLZ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212725 843410971 /nfs/dbraw/zinc/41/09/71/843410971.db2.gz QJLYUIXNHYEFFR-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212725 843410973 /nfs/dbraw/zinc/41/09/73/843410973.db2.gz QJLYUIXNHYEFFR-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212725 843410978 /nfs/dbraw/zinc/41/09/78/843410978.db2.gz QJLYUIXNHYEFFR-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212725 843410985 /nfs/dbraw/zinc/41/09/85/843410985.db2.gz QJLYUIXNHYEFFR-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)C1 ZINC001094232175 843536914 /nfs/dbraw/zinc/53/69/14/843536914.db2.gz ODHXHUIFRGQPQU-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)C1 ZINC001094232175 843536930 /nfs/dbraw/zinc/53/69/30/843536930.db2.gz ODHXHUIFRGQPQU-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCF)C3)C2)CC[N@@H+]1C ZINC001094740084 843697314 /nfs/dbraw/zinc/69/73/14/843697314.db2.gz HQDBHCQAUVGHKD-VNQPRFMTSA-N 2 1 354.470 0.478 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCF)C3)C2)CC[N@H+]1C ZINC001094740084 843697316 /nfs/dbraw/zinc/69/73/16/843697316.db2.gz HQDBHCQAUVGHKD-VNQPRFMTSA-N 2 1 354.470 0.478 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104296 843777551 /nfs/dbraw/zinc/77/75/51/843777551.db2.gz HRIWTPFZJCKVNK-ORQFMDKSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104296 843777558 /nfs/dbraw/zinc/77/75/58/843777558.db2.gz HRIWTPFZJCKVNK-ORQFMDKSSA-N 2 1 350.507 0.917 20 0 FCADMP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215787 843854367 /nfs/dbraw/zinc/85/43/67/843854367.db2.gz DTCMBLISESLOCF-ZJPYXAASSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001097215787 843854375 /nfs/dbraw/zinc/85/43/75/843854375.db2.gz DTCMBLISESLOCF-ZJPYXAASSA-N 2 1 351.491 0.998 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001097215787 843854381 /nfs/dbraw/zinc/85/43/81/843854381.db2.gz DTCMBLISESLOCF-ZJPYXAASSA-N 2 1 351.491 0.998 20 0 FCADMP CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404670 843914460 /nfs/dbraw/zinc/91/44/60/843914460.db2.gz RNJCFJHQCIGACU-ZMSDIMECSA-N 2 1 357.495 0.026 20 0 FCADMP CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404670 843914464 /nfs/dbraw/zinc/91/44/64/843914464.db2.gz RNJCFJHQCIGACU-ZMSDIMECSA-N 2 1 357.495 0.026 20 0 FCADMP CO[C@@H](C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404670 843914468 /nfs/dbraw/zinc/91/44/68/843914468.db2.gz RNJCFJHQCIGACU-ZMSDIMECSA-N 2 1 357.495 0.026 20 0 FCADMP CO[C@@H](C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404670 843914470 /nfs/dbraw/zinc/91/44/70/843914470.db2.gz RNJCFJHQCIGACU-ZMSDIMECSA-N 2 1 357.495 0.026 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001098447125 843919746 /nfs/dbraw/zinc/91/97/46/843919746.db2.gz ZTUUDJDAPIIBEI-BGTYHANMSA-N 2 1 351.491 0.998 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)C1 ZINC001098447125 843919754 /nfs/dbraw/zinc/91/97/54/843919754.db2.gz ZTUUDJDAPIIBEI-BGTYHANMSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC2CCC2)C1 ZINC001098447125 843919760 /nfs/dbraw/zinc/91/97/60/843919760.db2.gz ZTUUDJDAPIIBEI-BGTYHANMSA-N 2 1 351.491 0.998 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC2CCC2)C1 ZINC001098447125 843919765 /nfs/dbraw/zinc/91/97/65/843919765.db2.gz ZTUUDJDAPIIBEI-BGTYHANMSA-N 2 1 351.491 0.998 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001099268422 843997986 /nfs/dbraw/zinc/99/79/86/843997986.db2.gz ACXUQRYSWLLHLN-JHJVBQTASA-N 2 1 362.400 0.634 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099274326 843999888 /nfs/dbraw/zinc/99/98/88/843999888.db2.gz BZKWDGRESLWXOK-JHJVBQTASA-N 2 1 364.412 0.571 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099274326 843999892 /nfs/dbraw/zinc/99/98/92/843999892.db2.gz BZKWDGRESLWXOK-JHJVBQTASA-N 2 1 364.412 0.571 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099274327 844000392 /nfs/dbraw/zinc/00/03/92/844000392.db2.gz BZKWDGRESLWXOK-UPJWGTAASA-N 2 1 364.412 0.571 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099274327 844000400 /nfs/dbraw/zinc/00/04/00/844000400.db2.gz BZKWDGRESLWXOK-UPJWGTAASA-N 2 1 364.412 0.571 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781000 844646744 /nfs/dbraw/zinc/64/67/44/844646744.db2.gz ZEAOWXUVLSHMCJ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102781000 844646747 /nfs/dbraw/zinc/64/67/47/844646747.db2.gz ZEAOWXUVLSHMCJ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102781000 844646750 /nfs/dbraw/zinc/64/67/50/844646750.db2.gz ZEAOWXUVLSHMCJ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818646 844651142 /nfs/dbraw/zinc/65/11/42/844651142.db2.gz ASJXLLHQALMYEA-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818646 844651147 /nfs/dbraw/zinc/65/11/47/844651147.db2.gz ASJXLLHQALMYEA-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818646 844651153 /nfs/dbraw/zinc/65/11/53/844651153.db2.gz ASJXLLHQALMYEA-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818646 844651157 /nfs/dbraw/zinc/65/11/57/844651157.db2.gz ASJXLLHQALMYEA-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818650 844653168 /nfs/dbraw/zinc/65/31/68/844653168.db2.gz ASWXMCDVBGEQLD-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818650 844653171 /nfs/dbraw/zinc/65/31/71/844653171.db2.gz ASWXMCDVBGEQLD-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818650 844653173 /nfs/dbraw/zinc/65/31/73/844653173.db2.gz ASWXMCDVBGEQLD-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818650 844653177 /nfs/dbraw/zinc/65/31/77/844653177.db2.gz ASWXMCDVBGEQLD-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003458 844682861 /nfs/dbraw/zinc/68/28/61/844682861.db2.gz RCDDCHWTYRXGJM-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103003458 844682869 /nfs/dbraw/zinc/68/28/69/844682869.db2.gz RCDDCHWTYRXGJM-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103003458 844682874 /nfs/dbraw/zinc/68/28/74/844682874.db2.gz RCDDCHWTYRXGJM-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001103085317 844697292 /nfs/dbraw/zinc/69/72/92/844697292.db2.gz PRQMLRWBECPRMF-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001103085317 844697298 /nfs/dbraw/zinc/69/72/98/844697298.db2.gz PRQMLRWBECPRMF-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001103085317 844697306 /nfs/dbraw/zinc/69/73/06/844697306.db2.gz PRQMLRWBECPRMF-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083619 844697433 /nfs/dbraw/zinc/69/74/33/844697433.db2.gz AIGVVTBGRKWFFO-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103137082 844706613 /nfs/dbraw/zinc/70/66/13/844706613.db2.gz VYQBHGMEMWGMMQ-KCYZZUKISA-N 2 1 350.463 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103137082 844706620 /nfs/dbraw/zinc/70/66/20/844706620.db2.gz VYQBHGMEMWGMMQ-KCYZZUKISA-N 2 1 350.463 0.968 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103137082 844706626 /nfs/dbraw/zinc/70/66/26/844706626.db2.gz VYQBHGMEMWGMMQ-KCYZZUKISA-N 2 1 350.463 0.968 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103137082 844706632 /nfs/dbraw/zinc/70/66/32/844706632.db2.gz VYQBHGMEMWGMMQ-KCYZZUKISA-N 2 1 350.463 0.968 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174723 844716379 /nfs/dbraw/zinc/71/63/79/844716379.db2.gz ZNDXKJIKPZGPPE-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174723 844716385 /nfs/dbraw/zinc/71/63/85/844716385.db2.gz ZNDXKJIKPZGPPE-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174723 844716392 /nfs/dbraw/zinc/71/63/92/844716392.db2.gz ZNDXKJIKPZGPPE-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103233568 844725761 /nfs/dbraw/zinc/72/57/61/844725761.db2.gz LWFSWOKELXGPCO-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103233568 844725766 /nfs/dbraw/zinc/72/57/66/844725766.db2.gz LWFSWOKELXGPCO-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396802 844750884 /nfs/dbraw/zinc/75/08/84/844750884.db2.gz KATHQQPLNFFUKT-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+](C)C ZINC001103407871 844751979 /nfs/dbraw/zinc/75/19/79/844751979.db2.gz YFJWPZWFANWKLC-IIDMSEBBSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001103437330 844758641 /nfs/dbraw/zinc/75/86/41/844758641.db2.gz UCCLTENJHCKECH-HUUCEWRRSA-N 2 1 350.463 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001103437330 844758647 /nfs/dbraw/zinc/75/86/47/844758647.db2.gz UCCLTENJHCKECH-HUUCEWRRSA-N 2 1 350.463 0.951 20 0 FCADMP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103663492 844797193 /nfs/dbraw/zinc/79/71/93/844797193.db2.gz DPZOEYJRSQDVBM-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103663492 844797197 /nfs/dbraw/zinc/79/71/97/844797197.db2.gz DPZOEYJRSQDVBM-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103663492 844797205 /nfs/dbraw/zinc/79/72/05/844797205.db2.gz DPZOEYJRSQDVBM-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103663492 844797209 /nfs/dbraw/zinc/79/72/09/844797209.db2.gz DPZOEYJRSQDVBM-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719193 844807659 /nfs/dbraw/zinc/80/76/59/844807659.db2.gz UNFMMQDARIDYOE-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719193 844807663 /nfs/dbraw/zinc/80/76/63/844807663.db2.gz UNFMMQDARIDYOE-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719193 844807667 /nfs/dbraw/zinc/80/76/67/844807667.db2.gz UNFMMQDARIDYOE-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@@]3(C2)CN(CC(F)F)C(=O)CO3)CC1 ZINC001276636003 861507482 /nfs/dbraw/zinc/50/74/82/861507482.db2.gz GDFWMPJCDRLFGD-QGZVFWFLSA-N 2 1 360.449 0.192 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104588650 844922963 /nfs/dbraw/zinc/92/29/63/844922963.db2.gz KBVIOZKFOYCPTK-VSZNYVQBSA-N 2 1 355.523 0.800 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104872409 844954185 /nfs/dbraw/zinc/95/41/85/844954185.db2.gz GJDXVUZIOLGGIL-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)C1 ZINC001105041711 844973521 /nfs/dbraw/zinc/97/35/21/844973521.db2.gz IGRMFDMNNUPDBP-FMKPAKJESA-N 2 1 367.519 0.833 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnns3)C2)C1 ZINC001105041711 844973527 /nfs/dbraw/zinc/97/35/27/844973527.db2.gz IGRMFDMNNUPDBP-FMKPAKJESA-N 2 1 367.519 0.833 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001105064220 844977058 /nfs/dbraw/zinc/97/70/58/844977058.db2.gz CZRBFSIYYMMIAA-RBSFLKMASA-N 2 1 351.499 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105668054 845015135 /nfs/dbraw/zinc/01/51/35/845015135.db2.gz WATKUGZHYUQQTB-FPAYPSAMSA-N 2 1 355.523 0.941 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941850 845063751 /nfs/dbraw/zinc/06/37/51/845063751.db2.gz NJFDONYHOLNJCT-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC(F)(F)F ZINC001105978542 845072082 /nfs/dbraw/zinc/07/20/82/845072082.db2.gz JGYCEPUDYKBWPF-MCIONIFRSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC(F)(F)F ZINC001105978542 845072091 /nfs/dbraw/zinc/07/20/91/845072091.db2.gz JGYCEPUDYKBWPF-MCIONIFRSA-N 2 1 367.412 0.580 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106210697 845135685 /nfs/dbraw/zinc/13/56/85/845135685.db2.gz AMFAXUXHBNBXQI-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245876 845141826 /nfs/dbraw/zinc/14/18/26/845141826.db2.gz FNAWJICZUJHMHY-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106248539 845143031 /nfs/dbraw/zinc/14/30/31/845143031.db2.gz SMHKFOYHAFMJTG-IXDOHACOSA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCOCC(F)F ZINC001106309617 845152792 /nfs/dbraw/zinc/15/27/92/845152792.db2.gz BUZGTPYQMSXDAI-KBUPBQIOSA-N 2 1 363.449 0.671 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCOCC(F)F ZINC001106309617 845152799 /nfs/dbraw/zinc/15/27/99/845152799.db2.gz BUZGTPYQMSXDAI-KBUPBQIOSA-N 2 1 363.449 0.671 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106336521 845159302 /nfs/dbraw/zinc/15/93/02/845159302.db2.gz SBCTUVYMFFLYRZ-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106354337 845161246 /nfs/dbraw/zinc/16/12/46/845161246.db2.gz VHSMJYZPRLHLFU-JHJVBQTASA-N 2 1 351.451 0.168 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666254 845218627 /nfs/dbraw/zinc/21/86/27/845218627.db2.gz IBYUPSFNLOPKSH-GVDBMIGSSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666923 845220050 /nfs/dbraw/zinc/22/00/50/845220050.db2.gz ZZUCJEQASJFOOG-GVDBMIGSSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C[NH2+]CCCO ZINC001106668147 845220711 /nfs/dbraw/zinc/22/07/11/845220711.db2.gz FDEIMIJJIBAJHM-HUUCEWRRSA-N 2 1 350.463 0.951 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106668888 845220742 /nfs/dbraw/zinc/22/07/42/845220742.db2.gz RKOLNFZFKTWHET-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106840099 845265669 /nfs/dbraw/zinc/26/56/69/845265669.db2.gz XYCRERDYAZBXHT-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCC(=O)OC(C)(C)C)C2)OCC1=O ZINC001276708266 861549818 /nfs/dbraw/zinc/54/98/18/861549818.db2.gz JJXULPXDZMFKLN-SFHVURJKSA-N 2 1 355.479 0.583 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874833 845276431 /nfs/dbraw/zinc/27/64/31/845276431.db2.gz UZBXISFNTBNJRT-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981282 845300042 /nfs/dbraw/zinc/30/00/42/845300042.db2.gz HZENOOMZCHQPLC-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)C1 ZINC001107009482 845308947 /nfs/dbraw/zinc/30/89/47/845308947.db2.gz SJFAXRYRIKMEJQ-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)C1 ZINC001107009482 845308959 /nfs/dbraw/zinc/30/89/59/845308959.db2.gz SJFAXRYRIKMEJQ-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001107039780 845316602 /nfs/dbraw/zinc/31/66/02/845316602.db2.gz YQSKLOWNVAYVIU-ZIAGYGMSSA-N 2 1 352.483 0.660 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040639 845316715 /nfs/dbraw/zinc/31/67/15/845316715.db2.gz KPILJJTZQLCHBG-NVXWUHKLSA-N 2 1 356.511 0.163 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042336 845317099 /nfs/dbraw/zinc/31/70/99/845317099.db2.gz IAIOHYWYARNEEE-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1C ZINC001107039006 845317126 /nfs/dbraw/zinc/31/71/26/845317126.db2.gz KYJIHGNUOPQEDD-HUUCEWRRSA-N 2 1 350.511 0.902 20 0 FCADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042661 845318282 /nfs/dbraw/zinc/31/82/82/845318282.db2.gz XBGRHOVUDZYWBR-BRWVUGGUSA-N 2 1 359.511 0.035 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329521 845353428 /nfs/dbraw/zinc/35/34/28/845353428.db2.gz YCRLNMAERQWKIZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329521 845353446 /nfs/dbraw/zinc/35/34/46/845353446.db2.gz YCRLNMAERQWKIZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107329521 845353458 /nfs/dbraw/zinc/35/34/58/845353458.db2.gz YCRLNMAERQWKIZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCCC1=O)CC2 ZINC001107533932 845393015 /nfs/dbraw/zinc/39/30/15/845393015.db2.gz NSCLJSPLPFJITA-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N(C)C)CC2 ZINC001107546879 845394841 /nfs/dbraw/zinc/39/48/41/845394841.db2.gz RZAALWBTCURDEZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2 ZINC001107546879 845394853 /nfs/dbraw/zinc/39/48/53/845394853.db2.gz RZAALWBTCURDEZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107546879 845394862 /nfs/dbraw/zinc/39/48/62/845394862.db2.gz RZAALWBTCURDEZ-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107546975 845394914 /nfs/dbraw/zinc/39/49/14/845394914.db2.gz VRGWTNYKFORHHC-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107546975 845394924 /nfs/dbraw/zinc/39/49/24/845394924.db2.gz VRGWTNYKFORHHC-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107546975 845394936 /nfs/dbraw/zinc/39/49/36/845394936.db2.gz VRGWTNYKFORHHC-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107546975 845394945 /nfs/dbraw/zinc/39/49/45/845394945.db2.gz VRGWTNYKFORHHC-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP CCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546208 845502259 /nfs/dbraw/zinc/50/22/59/845502259.db2.gz QRNZXHNCIZXWBB-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)C)CC[N@@H+]1C ZINC001109306130 845618708 /nfs/dbraw/zinc/61/87/08/845618708.db2.gz UQHAZWPXZAEPJC-HMDCTGQHSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)C)CC[N@H+]1C ZINC001109306130 845618712 /nfs/dbraw/zinc/61/87/12/845618712.db2.gz UQHAZWPXZAEPJC-HMDCTGQHSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CC[NH+]1C ZINC001109306130 845618717 /nfs/dbraw/zinc/61/87/17/845618717.db2.gz UQHAZWPXZAEPJC-HMDCTGQHSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)C)CC[NH+]1C ZINC001109306130 845618722 /nfs/dbraw/zinc/61/87/22/845618722.db2.gz UQHAZWPXZAEPJC-HMDCTGQHSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654016 845706142 /nfs/dbraw/zinc/70/61/42/845706142.db2.gz RKQSTKCRDKVYAK-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654016 845706148 /nfs/dbraw/zinc/70/61/48/845706148.db2.gz RKQSTKCRDKVYAK-PMPSAXMXSA-N 2 1 353.511 0.757 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109673893 845711177 /nfs/dbraw/zinc/71/11/77/845711177.db2.gz SYVHYTZVYCFEHS-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109673893 845711182 /nfs/dbraw/zinc/71/11/82/845711182.db2.gz SYVHYTZVYCFEHS-FZKCQIBNSA-N 2 1 357.520 0.484 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001109728859 845723226 /nfs/dbraw/zinc/72/32/26/845723226.db2.gz HNRWRTPJPXQEJT-FXUDXRNXSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001109728859 845723229 /nfs/dbraw/zinc/72/32/29/845723229.db2.gz HNRWRTPJPXQEJT-FXUDXRNXSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C3)C1=O ZINC001109728859 845723235 /nfs/dbraw/zinc/72/32/35/845723235.db2.gz HNRWRTPJPXQEJT-FXUDXRNXSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C3)C1=O ZINC001109728859 845723238 /nfs/dbraw/zinc/72/32/38/845723238.db2.gz HNRWRTPJPXQEJT-FXUDXRNXSA-N 2 1 350.507 0.917 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCOC1 ZINC001109847781 845747497 /nfs/dbraw/zinc/74/74/97/845747497.db2.gz HCSDNRIMILMGST-BDXSIMOUSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCOC1 ZINC001109847781 845747501 /nfs/dbraw/zinc/74/75/01/845747501.db2.gz HCSDNRIMILMGST-BDXSIMOUSA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCOC2)CC1 ZINC001109898888 845755760 /nfs/dbraw/zinc/75/57/60/845755760.db2.gz HSDZPYYKAAEQBK-MVJTYMMSSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109932762 845762588 /nfs/dbraw/zinc/76/25/88/845762588.db2.gz RWRLZUIRMLXOOJ-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109932762 845762592 /nfs/dbraw/zinc/76/25/92/845762592.db2.gz RWRLZUIRMLXOOJ-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109932762 845762600 /nfs/dbraw/zinc/76/26/00/845762600.db2.gz RWRLZUIRMLXOOJ-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109932762 845762603 /nfs/dbraw/zinc/76/26/03/845762603.db2.gz RWRLZUIRMLXOOJ-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109932744 845762909 /nfs/dbraw/zinc/76/29/09/845762909.db2.gz RCNFYYBFKJVZFV-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109932744 845762916 /nfs/dbraw/zinc/76/29/16/845762916.db2.gz RCNFYYBFKJVZFV-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109932744 845762923 /nfs/dbraw/zinc/76/29/23/845762923.db2.gz RCNFYYBFKJVZFV-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109932744 845762931 /nfs/dbraw/zinc/76/29/31/845762931.db2.gz RCNFYYBFKJVZFV-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109932743 845762951 /nfs/dbraw/zinc/76/29/51/845762951.db2.gz RCNFYYBFKJVZFV-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109932743 845762963 /nfs/dbraw/zinc/76/29/63/845762963.db2.gz RCNFYYBFKJVZFV-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109932743 845762967 /nfs/dbraw/zinc/76/29/67/845762967.db2.gz RCNFYYBFKJVZFV-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109932743 845762973 /nfs/dbraw/zinc/76/29/73/845762973.db2.gz RCNFYYBFKJVZFV-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109979974 845772137 /nfs/dbraw/zinc/77/21/37/845772137.db2.gz HEBWIISNHUOJHR-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109979974 845772139 /nfs/dbraw/zinc/77/21/39/845772139.db2.gz HEBWIISNHUOJHR-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109979974 845772143 /nfs/dbraw/zinc/77/21/43/845772143.db2.gz HEBWIISNHUOJHR-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109979974 845772145 /nfs/dbraw/zinc/77/21/45/845772145.db2.gz HEBWIISNHUOJHR-WCVJEAGWSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110017825 845776997 /nfs/dbraw/zinc/77/69/97/845776997.db2.gz ODKYPZAEQMVOLB-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110017825 845777001 /nfs/dbraw/zinc/77/70/01/845777001.db2.gz ODKYPZAEQMVOLB-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110017825 845777011 /nfs/dbraw/zinc/77/70/11/845777011.db2.gz ODKYPZAEQMVOLB-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110017825 845777017 /nfs/dbraw/zinc/77/70/17/845777017.db2.gz ODKYPZAEQMVOLB-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001110017716 845777787 /nfs/dbraw/zinc/77/77/87/845777787.db2.gz KDODTYSSAQYIDF-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001110017716 845777795 /nfs/dbraw/zinc/77/77/95/845777795.db2.gz KDODTYSSAQYIDF-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001110017716 845777802 /nfs/dbraw/zinc/77/78/02/845777802.db2.gz KDODTYSSAQYIDF-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149573 845804520 /nfs/dbraw/zinc/80/45/20/845804520.db2.gz PFFXSBXMCTWCLD-PMPSAXMXSA-N 2 1 372.535 0.133 20 0 FCADMP CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149573 845804524 /nfs/dbraw/zinc/80/45/24/845804524.db2.gz PFFXSBXMCTWCLD-PMPSAXMXSA-N 2 1 372.535 0.133 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110661394 845943276 /nfs/dbraw/zinc/94/32/76/845943276.db2.gz QUSRIIMTGUQOHK-TVFCKZIOSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110661394 845943282 /nfs/dbraw/zinc/94/32/82/845943282.db2.gz QUSRIIMTGUQOHK-TVFCKZIOSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110661394 845943289 /nfs/dbraw/zinc/94/32/89/845943289.db2.gz QUSRIIMTGUQOHK-TVFCKZIOSA-N 2 1 353.507 0.980 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954427 846000497 /nfs/dbraw/zinc/00/04/97/846000497.db2.gz OUDFBDLNDYFVKT-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954427 846000503 /nfs/dbraw/zinc/00/05/03/846000503.db2.gz OUDFBDLNDYFVKT-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001110995506 846009666 /nfs/dbraw/zinc/00/96/66/846009666.db2.gz XZOWNRXBUXALHE-XLMAVXFVSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001110995506 846009669 /nfs/dbraw/zinc/00/96/69/846009669.db2.gz XZOWNRXBUXALHE-XLMAVXFVSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001111037359 846020303 /nfs/dbraw/zinc/02/03/03/846020303.db2.gz YPFQCAKIQFDUNH-WCVJEAGWSA-N 2 1 374.551 0.378 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001111037359 846020307 /nfs/dbraw/zinc/02/03/07/846020307.db2.gz YPFQCAKIQFDUNH-WCVJEAGWSA-N 2 1 374.551 0.378 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O)[NH+](C)C ZINC001111036943 846020536 /nfs/dbraw/zinc/02/05/36/846020536.db2.gz BAZVKFKNSIKDAC-NCOADZHNSA-N 2 1 354.495 0.201 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078240 846027708 /nfs/dbraw/zinc/02/77/08/846027708.db2.gz PUHMGIWKOAIHCN-FPCVCCKLSA-N 2 1 350.463 0.735 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078240 846027715 /nfs/dbraw/zinc/02/77/15/846027715.db2.gz PUHMGIWKOAIHCN-FPCVCCKLSA-N 2 1 350.463 0.735 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC1CCC1 ZINC001111151965 846049379 /nfs/dbraw/zinc/04/93/79/846049379.db2.gz NBIULMWQRICGAU-NXHRZFHOSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC1CCC1 ZINC001111151965 846049388 /nfs/dbraw/zinc/04/93/88/846049388.db2.gz NBIULMWQRICGAU-NXHRZFHOSA-N 2 1 351.491 0.999 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274564 846074362 /nfs/dbraw/zinc/07/43/62/846074362.db2.gz HZZURTQJSMFKNA-VQHPVUNQSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274564 846074368 /nfs/dbraw/zinc/07/43/68/846074368.db2.gz HZZURTQJSMFKNA-VQHPVUNQSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274564 846074374 /nfs/dbraw/zinc/07/43/74/846074374.db2.gz HZZURTQJSMFKNA-VQHPVUNQSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274564 846074381 /nfs/dbraw/zinc/07/43/81/846074381.db2.gz HZZURTQJSMFKNA-VQHPVUNQSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297788 846080362 /nfs/dbraw/zinc/08/03/62/846080362.db2.gz VKPNOFIHWYIUIU-SYQHCUMBSA-N 2 1 353.467 0.023 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297788 846080371 /nfs/dbraw/zinc/08/03/71/846080371.db2.gz VKPNOFIHWYIUIU-SYQHCUMBSA-N 2 1 353.467 0.023 20 0 FCADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2)S(C)(=O)=O ZINC001111298700 846080977 /nfs/dbraw/zinc/08/09/77/846080977.db2.gz MBEBHYLUDBKDSY-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2)S(C)(=O)=O ZINC001111298700 846080984 /nfs/dbraw/zinc/08/09/84/846080984.db2.gz MBEBHYLUDBKDSY-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740735 846187071 /nfs/dbraw/zinc/18/70/71/846187071.db2.gz LUYFZALQMFASIH-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740735 846187075 /nfs/dbraw/zinc/18/70/75/846187075.db2.gz LUYFZALQMFASIH-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740735 846187080 /nfs/dbraw/zinc/18/70/80/846187080.db2.gz LUYFZALQMFASIH-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740735 846187084 /nfs/dbraw/zinc/18/70/84/846187084.db2.gz LUYFZALQMFASIH-BXWFABGCSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276848883 861652633 /nfs/dbraw/zinc/65/26/33/861652633.db2.gz LCTZWAPCVYVCLU-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001276848883 861652636 /nfs/dbraw/zinc/65/26/36/861652636.db2.gz LCTZWAPCVYVCLU-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276852278 861654098 /nfs/dbraw/zinc/65/40/98/861654098.db2.gz PJGWFQKCBQANOL-IEBWSBKVSA-N 2 1 352.523 0.726 20 0 FCADMP CC[C@@H](C)[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276852279 861654319 /nfs/dbraw/zinc/65/43/19/861654319.db2.gz PJGWFQKCBQANOL-MJGOQNOKSA-N 2 1 352.523 0.726 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111857860 846234112 /nfs/dbraw/zinc/23/41/12/846234112.db2.gz BXPVHZFGYOZNSF-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001111862465 846235500 /nfs/dbraw/zinc/23/55/00/846235500.db2.gz OFURCOCKLQEQJE-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870652 846238662 /nfs/dbraw/zinc/23/86/62/846238662.db2.gz IASRRAGIZJEWGC-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870652 846238672 /nfs/dbraw/zinc/23/86/72/846238672.db2.gz IASRRAGIZJEWGC-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870652 846238679 /nfs/dbraw/zinc/23/86/79/846238679.db2.gz IASRRAGIZJEWGC-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870652 846238685 /nfs/dbraw/zinc/23/86/85/846238685.db2.gz IASRRAGIZJEWGC-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111871926 846240533 /nfs/dbraw/zinc/24/05/33/846240533.db2.gz RXAVXSBKVHLLPM-LPHOPBHVSA-N 2 1 353.507 0.698 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111871926 846240546 /nfs/dbraw/zinc/24/05/46/846240546.db2.gz RXAVXSBKVHLLPM-LPHOPBHVSA-N 2 1 353.507 0.698 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111871926 846240558 /nfs/dbraw/zinc/24/05/58/846240558.db2.gz RXAVXSBKVHLLPM-LPHOPBHVSA-N 2 1 353.507 0.698 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2)[NH+](C)C ZINC001111875080 846241220 /nfs/dbraw/zinc/24/12/20/846241220.db2.gz QFELAMSOVFCCNE-ZOBUZTSGSA-N 2 1 359.536 0.732 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2)[NH+](C)C ZINC001111875080 846241228 /nfs/dbraw/zinc/24/12/28/846241228.db2.gz QFELAMSOVFCCNE-ZOBUZTSGSA-N 2 1 359.536 0.732 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891200 846249624 /nfs/dbraw/zinc/24/96/24/846249624.db2.gz IXOBWELWUYPPCR-LNLFQRSKSA-N 2 1 353.507 0.696 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](CC)CC)C2)C1=O ZINC001111910304 846257359 /nfs/dbraw/zinc/25/73/59/846257359.db2.gz SVAKSBYXUROOIT-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111925708 846260767 /nfs/dbraw/zinc/26/07/67/846260767.db2.gz GXEDUSQZJUHHLF-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111925708 846260774 /nfs/dbraw/zinc/26/07/74/846260774.db2.gz GXEDUSQZJUHHLF-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111925708 846260779 /nfs/dbraw/zinc/26/07/79/846260779.db2.gz GXEDUSQZJUHHLF-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCCC1=O)C2 ZINC001112004496 846290030 /nfs/dbraw/zinc/29/00/30/846290030.db2.gz GIUWQYMCHIASGQ-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001112004496 846290040 /nfs/dbraw/zinc/29/00/40/846290040.db2.gz GIUWQYMCHIASGQ-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001112004496 846290052 /nfs/dbraw/zinc/29/00/52/846290052.db2.gz GIUWQYMCHIASGQ-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004133 846290687 /nfs/dbraw/zinc/29/06/87/846290687.db2.gz MCQZBWZPWUQMBL-WMZOPIPTSA-N 2 1 371.547 0.878 20 0 FCADMP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004133 846290704 /nfs/dbraw/zinc/29/07/04/846290704.db2.gz MCQZBWZPWUQMBL-WMZOPIPTSA-N 2 1 371.547 0.878 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070679 846348980 /nfs/dbraw/zinc/34/89/80/846348980.db2.gz APTIXVCVUGHFJQ-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070679 846348986 /nfs/dbraw/zinc/34/89/86/846348986.db2.gz APTIXVCVUGHFJQ-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157761 846424152 /nfs/dbraw/zinc/42/41/52/846424152.db2.gz BGNKFYSYNMVSQH-CYZMBNFOSA-N 2 1 364.412 0.442 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112166238 846429582 /nfs/dbraw/zinc/42/95/82/846429582.db2.gz KVTKDDBGMJTXTF-BFHYXJOUSA-N 2 1 367.412 0.316 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166441 846429762 /nfs/dbraw/zinc/42/97/62/846429762.db2.gz UYSPLOOTCVFPMB-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166441 846429765 /nfs/dbraw/zinc/42/97/65/846429765.db2.gz UYSPLOOTCVFPMB-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112190208 846448892 /nfs/dbraw/zinc/44/88/92/846448892.db2.gz PXMQTHXPYMHXCT-IJLUTSLNSA-N 2 1 352.401 0.571 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196569 846455126 /nfs/dbraw/zinc/45/51/26/846455126.db2.gz RHWRNWVPFMFOQM-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112196416 846455258 /nfs/dbraw/zinc/45/52/58/846455258.db2.gz IJOYLTDJBWZFPZ-ZIAGYGMSSA-N 2 1 369.428 0.706 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206372 846463334 /nfs/dbraw/zinc/46/33/34/846463334.db2.gz PISBOURGWNNZCI-VXGBXAGGSA-N 2 1 350.385 0.149 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112209625 846466109 /nfs/dbraw/zinc/46/61/09/846466109.db2.gz AOTGTRJOCGWUGO-CHWSQXEVSA-N 2 1 364.412 0.587 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001112210039 846467387 /nfs/dbraw/zinc/46/73/87/846467387.db2.gz TYPBARZXSHPNAZ-CHWSQXEVSA-N 2 1 364.412 0.587 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112285047 846487659 /nfs/dbraw/zinc/48/76/59/846487659.db2.gz JZGPAYNOCWSQLS-UXLLHSPISA-N 2 1 357.520 0.344 20 0 FCADMP COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291707 846490507 /nfs/dbraw/zinc/49/05/07/846490507.db2.gz VKFDJUHENMOONK-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291707 846490512 /nfs/dbraw/zinc/49/05/12/846490512.db2.gz VKFDJUHENMOONK-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276913471 861683684 /nfs/dbraw/zinc/68/36/84/861683684.db2.gz CSSOZMNZKYMUDO-GOSISDBHSA-N 2 1 352.479 0.258 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112380778 846498917 /nfs/dbraw/zinc/49/89/17/846498917.db2.gz YUNDLUDNRGIEHN-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401790 846501805 /nfs/dbraw/zinc/50/18/05/846501805.db2.gz YGWJOKSTKPLFGG-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001112529472 846516409 /nfs/dbraw/zinc/51/64/09/846516409.db2.gz AQZRGRCIRRLIRF-GJYPPUQNSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958798 861703636 /nfs/dbraw/zinc/70/36/36/861703636.db2.gz APYUCGOELTTXLQ-IEBWSBKVSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958798 861703645 /nfs/dbraw/zinc/70/36/45/861703645.db2.gz APYUCGOELTTXLQ-IEBWSBKVSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958798 861703658 /nfs/dbraw/zinc/70/36/58/861703658.db2.gz APYUCGOELTTXLQ-IEBWSBKVSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276960957 861708838 /nfs/dbraw/zinc/70/88/38/861708838.db2.gz XFUOEJBXMMZEAE-QGZVFWFLSA-N 2 1 352.523 0.319 20 0 FCADMP CC(C)[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116855290 846785912 /nfs/dbraw/zinc/78/59/12/846785912.db2.gz WBZVMGOGPHSQPT-SOLBZPMBSA-N 2 1 352.523 0.578 20 0 FCADMP CC(C)[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116855290 846785919 /nfs/dbraw/zinc/78/59/19/846785919.db2.gz WBZVMGOGPHSQPT-SOLBZPMBSA-N 2 1 352.523 0.578 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001117356482 846978918 /nfs/dbraw/zinc/97/89/18/846978918.db2.gz LUNJJIXDXJXDCB-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858685 847186859 /nfs/dbraw/zinc/18/68/59/847186859.db2.gz PPVWYFMJBAFIPG-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858685 847186862 /nfs/dbraw/zinc/18/68/62/847186862.db2.gz PPVWYFMJBAFIPG-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3sc(=O)[nH]c3Cl)C2)OCC1=O ZINC001277142160 861777535 /nfs/dbraw/zinc/77/75/35/861777535.db2.gz XWZPZNJHPQXISI-OAHLLOKOSA-N 2 1 374.894 0.867 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3sc(=O)[nH]c3Cl)C2)OCC1=O ZINC001277142160 861777546 /nfs/dbraw/zinc/77/75/46/861777546.db2.gz XWZPZNJHPQXISI-OAHLLOKOSA-N 2 1 374.894 0.867 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001118325349 847382701 /nfs/dbraw/zinc/38/27/01/847382701.db2.gz GYSDMHUHVHRVAG-XUWXXGDYSA-N 2 1 350.463 0.550 20 0 FCADMP O=C1NCC2(CC[NH+](CCC[NH+]3CCC4(CNC(=O)O4)CC3)CC2)O1 ZINC001119780416 847975212 /nfs/dbraw/zinc/97/52/12/847975212.db2.gz IJYQMPURGHRECY-UHFFFAOYSA-N 2 1 352.435 0.525 20 0 FCADMP C[C@@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127644068 848730307 /nfs/dbraw/zinc/73/03/07/848730307.db2.gz SYZBTIXVAOFMNF-JJRVBVJISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001127659543 848731596 /nfs/dbraw/zinc/73/15/96/848731596.db2.gz FFBZDJRLVWXPSG-IAQYHMDHSA-N 2 1 354.401 0.949 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@H+]1C ZINC001127701667 848732248 /nfs/dbraw/zinc/73/22/48/848732248.db2.gz USDZEVRNICCNIY-FRRDWIJNSA-N 2 1 355.401 0.362 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nc(C)cs2)CC[N@H+]1C ZINC001127695688 848733006 /nfs/dbraw/zinc/73/30/06/848733006.db2.gz SYSBNUFMJFJHAY-QWHCGFSZSA-N 2 1 353.492 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127705347 848733496 /nfs/dbraw/zinc/73/34/96/848733496.db2.gz ARGKSSSAYABAED-GRYCIOLGSA-N 2 1 352.401 0.490 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCc2ccco2)CC[N@H+]1C ZINC001127707265 848734052 /nfs/dbraw/zinc/73/40/52/848734052.db2.gz XPNKUSHVFQPWPM-VNQPRFMTSA-N 2 1 350.463 0.720 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054898 848801196 /nfs/dbraw/zinc/80/11/96/848801196.db2.gz ORMVUPRGBQFZHV-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054898 848801197 /nfs/dbraw/zinc/80/11/97/848801197.db2.gz ORMVUPRGBQFZHV-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054898 848801200 /nfs/dbraw/zinc/80/12/00/848801200.db2.gz ORMVUPRGBQFZHV-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054898 848801201 /nfs/dbraw/zinc/80/12/01/848801201.db2.gz ORMVUPRGBQFZHV-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071894 848802701 /nfs/dbraw/zinc/80/27/01/848802701.db2.gz OWPKEZMJAUCCRX-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1)OC ZINC001129337714 848832513 /nfs/dbraw/zinc/83/25/13/848832513.db2.gz VMAVQVLOECJCJX-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369556 848835553 /nfs/dbraw/zinc/83/55/53/848835553.db2.gz ABXDTJAXEYLXSM-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369556 848835560 /nfs/dbraw/zinc/83/55/60/848835560.db2.gz ABXDTJAXEYLXSM-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369556 848835565 /nfs/dbraw/zinc/83/55/65/848835565.db2.gz ABXDTJAXEYLXSM-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393486 848838858 /nfs/dbraw/zinc/83/88/58/848838858.db2.gz MFISWUVMYFQWDA-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884044 848907978 /nfs/dbraw/zinc/90/79/78/848907978.db2.gz IAERAYMFPZIHOK-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001130184318 848962777 /nfs/dbraw/zinc/96/27/77/848962777.db2.gz LLOKENMBJKTXLM-OWCLPIDISA-N 2 1 356.511 0.445 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001130184318 848962783 /nfs/dbraw/zinc/96/27/83/848962783.db2.gz LLOKENMBJKTXLM-OWCLPIDISA-N 2 1 356.511 0.445 20 0 FCADMP COc1ccccc1OCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184314 848963225 /nfs/dbraw/zinc/96/32/25/848963225.db2.gz LGSFMFFBJCDDGC-RHSMWYFYSA-N 2 1 351.447 0.499 20 0 FCADMP COc1ccccc1OCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184314 848963231 /nfs/dbraw/zinc/96/32/31/848963231.db2.gz LGSFMFFBJCDDGC-RHSMWYFYSA-N 2 1 351.447 0.499 20 0 FCADMP CC[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184521 848963576 /nfs/dbraw/zinc/96/35/76/848963576.db2.gz UIIDSGUTBBQQPY-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184521 848963582 /nfs/dbraw/zinc/96/35/82/848963582.db2.gz UIIDSGUTBBQQPY-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001130622154 849021007 /nfs/dbraw/zinc/02/10/07/849021007.db2.gz TXTGNTZFWYQLGL-OFQRWUPVSA-N 2 1 351.495 0.415 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCO)c1 ZINC001130671942 849026288 /nfs/dbraw/zinc/02/62/88/849026288.db2.gz DIJBQUDORZQZRP-GOEBONIOSA-N 2 1 351.495 0.274 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130717885 849028771 /nfs/dbraw/zinc/02/87/71/849028771.db2.gz XMZYOQSXHKGDNW-DOTOQJQBSA-N 2 1 351.495 0.682 20 0 FCADMP CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130805177 849045818 /nfs/dbraw/zinc/04/58/18/849045818.db2.gz WOEVETCKTMXKGZ-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130815872 849048516 /nfs/dbraw/zinc/04/85/16/849048516.db2.gz DHKJABQQMZAFDO-HZSPNIEDSA-N 2 1 350.467 0.592 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130815872 849048523 /nfs/dbraw/zinc/04/85/23/849048523.db2.gz DHKJABQQMZAFDO-HZSPNIEDSA-N 2 1 350.467 0.592 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130815872 849048529 /nfs/dbraw/zinc/04/85/29/849048529.db2.gz DHKJABQQMZAFDO-HZSPNIEDSA-N 2 1 350.467 0.592 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n2)O1 ZINC001130820376 849049277 /nfs/dbraw/zinc/04/92/77/849049277.db2.gz VFVZIACHZQBUEL-UONOGXRCSA-N 2 1 352.483 0.979 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313122 849094157 /nfs/dbraw/zinc/09/41/57/849094157.db2.gz HWUONKGWLMOMNS-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001131313122 849094165 /nfs/dbraw/zinc/09/41/65/849094165.db2.gz HWUONKGWLMOMNS-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316564 849095257 /nfs/dbraw/zinc/09/52/57/849095257.db2.gz NEYOREKYZOXPQV-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316564 849095267 /nfs/dbraw/zinc/09/52/67/849095267.db2.gz NEYOREKYZOXPQV-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316564 849095273 /nfs/dbraw/zinc/09/52/73/849095273.db2.gz NEYOREKYZOXPQV-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131596975 849128728 /nfs/dbraw/zinc/12/87/28/849128728.db2.gz DTSLHQZMNDCLHW-QAPCUYQASA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001131604943 849129612 /nfs/dbraw/zinc/12/96/12/849129612.db2.gz OLOWIXJGDMXAKE-AEFFLSMTSA-N 2 1 350.463 0.824 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001141196728 849385862 /nfs/dbraw/zinc/38/58/62/849385862.db2.gz KVFAADYCTLNYDO-KFWWJZLASA-N 2 1 354.495 0.994 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583219 849586044 /nfs/dbraw/zinc/58/60/44/849586044.db2.gz OILJPAVLMMHOLU-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583219 849586050 /nfs/dbraw/zinc/58/60/50/849586050.db2.gz OILJPAVLMMHOLU-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583219 849586053 /nfs/dbraw/zinc/58/60/53/849586053.db2.gz OILJPAVLMMHOLU-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583815 849586581 /nfs/dbraw/zinc/58/65/81/849586581.db2.gz WUWOVZKVXDCZQE-HZPDHXFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583815 849586590 /nfs/dbraw/zinc/58/65/90/849586590.db2.gz WUWOVZKVXDCZQE-HZPDHXFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583815 849586593 /nfs/dbraw/zinc/58/65/93/849586593.db2.gz WUWOVZKVXDCZQE-HZPDHXFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+](CCc1ccnn1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997901 849773151 /nfs/dbraw/zinc/77/31/51/849773151.db2.gz DAIQTBGZQQKUCH-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CC[N@@H+](CCc1ccnn1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997901 849773158 /nfs/dbraw/zinc/77/31/58/849773158.db2.gz DAIQTBGZQQKUCH-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](CCc1ccnn1C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997901 849773171 /nfs/dbraw/zinc/77/31/71/849773171.db2.gz DAIQTBGZQQKUCH-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](CCc1ccnn1C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997901 849773181 /nfs/dbraw/zinc/77/31/81/849773181.db2.gz DAIQTBGZQQKUCH-BFYDXBDKSA-N 2 1 351.495 0.508 20 0 FCADMP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc[nH+]c(N)n1 ZINC001156700949 849920711 /nfs/dbraw/zinc/92/07/11/849920711.db2.gz PLEUZLDOFCHBKO-UHFFFAOYSA-N 2 1 360.443 0.553 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]CCS1)C2 ZINC001158382104 850042722 /nfs/dbraw/zinc/04/27/22/850042722.db2.gz IFORWVCPHAJDMV-ICCXJUOJSA-N 2 1 367.393 0.193 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001158380662 850042835 /nfs/dbraw/zinc/04/28/35/850042835.db2.gz SVFFFGMVFJAVBQ-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001158403277 850046813 /nfs/dbraw/zinc/04/68/13/850046813.db2.gz CHLLTUYKGJTSIS-UONOGXRCSA-N 2 1 351.499 0.754 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001158412642 850048472 /nfs/dbraw/zinc/04/84/72/850048472.db2.gz SLZNKQYVVPABBJ-RWMBFGLXSA-N 2 1 366.428 0.880 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2CC(F)(F)F)CC[N@H+]1C ZINC001158428710 850048575 /nfs/dbraw/zinc/04/85/75/850048575.db2.gz PRADRXGRTKYZBH-GHMZBOCLSA-N 2 1 363.388 0.172 20 0 FCADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001158630483 850062059 /nfs/dbraw/zinc/06/20/59/850062059.db2.gz RBSJAQDUZOOKEI-TUAOUCFPSA-N 2 1 352.401 0.714 20 0 FCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001158630483 850062073 /nfs/dbraw/zinc/06/20/73/850062073.db2.gz RBSJAQDUZOOKEI-TUAOUCFPSA-N 2 1 352.401 0.714 20 0 FCADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968501 850088488 /nfs/dbraw/zinc/08/84/88/850088488.db2.gz RGZDJQUHVLPYDA-UHFFFAOYSA-N 2 1 372.535 0.074 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]2C1 ZINC001159637499 850125483 /nfs/dbraw/zinc/12/54/83/850125483.db2.gz YFAVKCNKOUBQFH-IXDOHACOSA-N 3 1 356.511 0.029 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834662 850140153 /nfs/dbraw/zinc/14/01/53/850140153.db2.gz WFYDWUSVLOLVDT-RFBLXINOSA-N 2 1 361.515 0.516 20 0 FCADMP [NH3+]CCCNCC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857084 850141148 /nfs/dbraw/zinc/14/11/48/850141148.db2.gz VXWDTYFIJPUAFZ-WBVHZDCISA-N 2 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857084 850141156 /nfs/dbraw/zinc/14/11/56/850141156.db2.gz VXWDTYFIJPUAFZ-WBVHZDCISA-N 3 1 350.438 0.428 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857084 850141160 /nfs/dbraw/zinc/14/11/60/850141160.db2.gz VXWDTYFIJPUAFZ-WBVHZDCISA-N 3 1 350.438 0.428 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466115 850173339 /nfs/dbraw/zinc/17/33/39/850173339.db2.gz BFAKYEPALHDUHM-VNQPRFMTSA-N 2 1 352.479 0.108 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466115 850173348 /nfs/dbraw/zinc/17/33/48/850173348.db2.gz BFAKYEPALHDUHM-VNQPRFMTSA-N 2 1 352.479 0.108 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466115 850173359 /nfs/dbraw/zinc/17/33/59/850173359.db2.gz BFAKYEPALHDUHM-VNQPRFMTSA-N 2 1 352.479 0.108 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466115 850173371 /nfs/dbraw/zinc/17/33/71/850173371.db2.gz BFAKYEPALHDUHM-VNQPRFMTSA-N 2 1 352.479 0.108 20 0 FCADMP CC1(N2CCOCC2)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160669421 850191329 /nfs/dbraw/zinc/19/13/29/850191329.db2.gz DJTJDSBZHKLENG-MRXNPFEDSA-N 2 1 350.507 0.574 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccs2)O1 ZINC001160858133 850207439 /nfs/dbraw/zinc/20/74/39/850207439.db2.gz WXYQXKVJIPXMEQ-UKRRQHHQSA-N 2 1 368.503 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccs2)O1 ZINC001160858133 850207450 /nfs/dbraw/zinc/20/74/50/850207450.db2.gz WXYQXKVJIPXMEQ-UKRRQHHQSA-N 2 1 368.503 0.179 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cn(CC3CC3)nn2)O1 ZINC001160861917 850209810 /nfs/dbraw/zinc/20/98/10/850209810.db2.gz ASTSEPVWBJKEHO-CZUORRHYSA-N 2 1 350.467 0.003 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cn(CC3CC3)nn2)O1 ZINC001160861917 850209830 /nfs/dbraw/zinc/20/98/30/850209830.db2.gz ASTSEPVWBJKEHO-CZUORRHYSA-N 2 1 350.467 0.003 20 0 FCADMP CS(=O)(=O)c1nc2c(c(N[C@H]3CC[N@@H+](C4CCC4)C3)n1)CC[NH2+]CC2 ZINC001161175143 850237873 /nfs/dbraw/zinc/23/78/73/850237873.db2.gz CDLPVZOVQNDPAV-LBPRGKRZSA-N 2 1 365.503 0.607 20 0 FCADMP CS(=O)(=O)c1nc2c(c(N[C@H]3CC[N@H+](C4CCC4)C3)n1)CC[NH2+]CC2 ZINC001161175143 850237880 /nfs/dbraw/zinc/23/78/80/850237880.db2.gz CDLPVZOVQNDPAV-LBPRGKRZSA-N 2 1 365.503 0.607 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CO[C@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378248 850256211 /nfs/dbraw/zinc/25/62/11/850256211.db2.gz KYUZIQBGHBUSMN-SUMDDJOVSA-N 3 1 350.507 0.559 20 0 FCADMP C[N@@H+](C1CN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)C1)[C@H]1CCOC1 ZINC001161497551 850265055 /nfs/dbraw/zinc/26/50/55/850265055.db2.gz AUMPLNKLFQXFOT-KBPBESRZSA-N 2 1 355.479 0.757 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](CCCO)CC2)CC[N@H+]1C ZINC001162275341 850305275 /nfs/dbraw/zinc/30/52/75/850305275.db2.gz MELHGPUJNLMQGL-DLBZAZTESA-N 2 1 355.523 0.944 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](CC2CC2)CC1 ZINC001162321114 850307820 /nfs/dbraw/zinc/30/78/20/850307820.db2.gz SYCSFHPVGGLHNH-NVXWUHKLSA-N 2 1 353.507 0.960 20 0 FCADMP COCC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](CC2CC2)CC1 ZINC001162321114 850307832 /nfs/dbraw/zinc/30/78/32/850307832.db2.gz SYCSFHPVGGLHNH-NVXWUHKLSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834961 862123501 /nfs/dbraw/zinc/12/35/01/862123501.db2.gz KBIGVAOFTMSMKN-WMZOPIPTSA-N 2 1 350.463 0.802 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001168380198 850585385 /nfs/dbraw/zinc/58/53/85/850585385.db2.gz QBOINIZBNLRMHK-SJORKVTESA-N 2 1 370.563 0.921 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ncn3c1C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169131733 850606615 /nfs/dbraw/zinc/60/66/15/850606615.db2.gz YJDLRPJFWLBFHE-QDMKHBRRSA-N 2 1 367.519 0.763 20 0 FCADMP CC[NH+]1CCC([N@@H+]2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001169250147 850610017 /nfs/dbraw/zinc/61/00/17/850610017.db2.gz PHERISVVVWJNIP-IBGZPJMESA-N 2 1 352.523 0.631 20 0 FCADMP CC[NH+]1CCC([N@H+]2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001169250147 850610046 /nfs/dbraw/zinc/61/00/46/850610046.db2.gz PHERISVVVWJNIP-IBGZPJMESA-N 2 1 352.523 0.631 20 0 FCADMP C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861329 850667966 /nfs/dbraw/zinc/66/79/66/850667966.db2.gz CNQVRWVSOOQETI-ARFHVFGLSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2nncn2C)O1 ZINC001178810571 850932570 /nfs/dbraw/zinc/93/25/70/850932570.db2.gz GXJCOGPSFBBIKU-HUUCEWRRSA-N 2 1 352.483 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2nncn2C)O1 ZINC001178810571 850932579 /nfs/dbraw/zinc/93/25/79/850932579.db2.gz GXJCOGPSFBBIKU-HUUCEWRRSA-N 2 1 352.483 0.300 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C[C@H](O)COC)C2)CC[N@H+]1C ZINC001181516865 851116610 /nfs/dbraw/zinc/11/66/10/851116610.db2.gz BBWYHCKSYAFXIS-DIKXUDHVSA-N 2 1 355.523 0.798 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC=CO2)C[C@]2(CCCC(=O)N2)C1 ZINC001278141254 862210755 /nfs/dbraw/zinc/21/07/55/862210755.db2.gz UVULKNXYEJUMFP-HKUYNNGSSA-N 2 1 350.507 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C2)CC[N@H+]1C ZINC001182683710 851191340 /nfs/dbraw/zinc/19/13/40/851191340.db2.gz DHQIVWHLHQFHKF-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)c3nccs3)C2)CC[N@H+]1C ZINC001182684647 851191865 /nfs/dbraw/zinc/19/18/65/851191865.db2.gz TZFHJIPHKASFSH-MGPQQGTHSA-N 2 1 365.503 0.637 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692065 851192969 /nfs/dbraw/zinc/19/29/69/851192969.db2.gz ATIAOZCCQCABHW-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186372868 851429266 /nfs/dbraw/zinc/42/92/66/851429266.db2.gz FEAQDQQUIXEKOM-BRWVUGGUSA-N 2 1 353.507 0.554 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001188107151 851645792 /nfs/dbraw/zinc/64/57/92/851645792.db2.gz IGNDNECYBQVYPC-ARFHVFGLSA-N 2 1 356.486 0.724 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001188956074 851737936 /nfs/dbraw/zinc/73/79/36/851737936.db2.gz GFEKNTVYJBQEQU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001188956074 851737945 /nfs/dbraw/zinc/73/79/45/851737945.db2.gz GFEKNTVYJBQEQU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188957817 851738428 /nfs/dbraw/zinc/73/84/28/851738428.db2.gz WUOLSXIHURPZML-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188957817 851738433 /nfs/dbraw/zinc/73/84/33/851738433.db2.gz WUOLSXIHURPZML-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956797 851738453 /nfs/dbraw/zinc/73/84/53/851738453.db2.gz NIOYTWCNWMEHQD-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956797 851738458 /nfs/dbraw/zinc/73/84/58/851738458.db2.gz NIOYTWCNWMEHQD-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001188979958 851738945 /nfs/dbraw/zinc/73/89/45/851738945.db2.gz ZGKFCJXZUAMDAP-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001188979958 851738952 /nfs/dbraw/zinc/73/89/52/851738952.db2.gz ZGKFCJXZUAMDAP-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985510 851740349 /nfs/dbraw/zinc/74/03/49/851740349.db2.gz IIDZZVAUFXRRAA-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985510 851740358 /nfs/dbraw/zinc/74/03/58/851740358.db2.gz IIDZZVAUFXRRAA-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018368 851743144 /nfs/dbraw/zinc/74/31/44/851743144.db2.gz NNJHZOBYTFGRIJ-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018368 851743151 /nfs/dbraw/zinc/74/31/51/851743151.db2.gz NNJHZOBYTFGRIJ-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018448 851743357 /nfs/dbraw/zinc/74/33/57/851743357.db2.gz QHOUHINOLLVHHD-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018448 851743362 /nfs/dbraw/zinc/74/33/62/851743362.db2.gz QHOUHINOLLVHHD-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001189055515 851745859 /nfs/dbraw/zinc/74/58/59/851745859.db2.gz XSXDIBFLHFXXKT-BFHYXJOUSA-N 2 1 367.412 0.411 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001189111167 851753870 /nfs/dbraw/zinc/75/38/70/851753870.db2.gz WQDWLRKCCTYCOV-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001189111167 851753871 /nfs/dbraw/zinc/75/38/71/851753871.db2.gz WQDWLRKCCTYCOV-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001189144457 851759649 /nfs/dbraw/zinc/75/96/49/851759649.db2.gz ZMTKLTQIBBNLFF-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001189144457 851759651 /nfs/dbraw/zinc/75/96/51/851759651.db2.gz ZMTKLTQIBBNLFF-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159944 851761343 /nfs/dbraw/zinc/76/13/43/851761343.db2.gz QXBODPZZYZVGKR-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159944 851761348 /nfs/dbraw/zinc/76/13/48/851761348.db2.gz QXBODPZZYZVGKR-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159944 851761354 /nfs/dbraw/zinc/76/13/54/851761354.db2.gz QXBODPZZYZVGKR-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001189312914 851778240 /nfs/dbraw/zinc/77/82/40/851778240.db2.gz YVXSDOUIWUCYGE-FGTMMUONSA-N 2 1 353.507 0.793 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189907232 851840591 /nfs/dbraw/zinc/84/05/91/851840591.db2.gz ZIYRLPKMTCUKAI-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189907232 851840597 /nfs/dbraw/zinc/84/05/97/851840597.db2.gz ZIYRLPKMTCUKAI-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189907232 851840602 /nfs/dbraw/zinc/84/06/02/851840602.db2.gz ZIYRLPKMTCUKAI-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907239 851840784 /nfs/dbraw/zinc/84/07/84/851840784.db2.gz ZZEAJJYUEPQWLQ-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907239 851840792 /nfs/dbraw/zinc/84/07/92/851840792.db2.gz ZZEAJJYUEPQWLQ-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907239 851840799 /nfs/dbraw/zinc/84/07/99/851840799.db2.gz ZZEAJJYUEPQWLQ-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189907239 851840807 /nfs/dbraw/zinc/84/08/07/851840807.db2.gz ZZEAJJYUEPQWLQ-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189922992 851843361 /nfs/dbraw/zinc/84/33/61/851843361.db2.gz IKITVBBXLJDPGM-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189922992 851843364 /nfs/dbraw/zinc/84/33/64/851843364.db2.gz IKITVBBXLJDPGM-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189922992 851843370 /nfs/dbraw/zinc/84/33/70/851843370.db2.gz IKITVBBXLJDPGM-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148478 851867249 /nfs/dbraw/zinc/86/72/49/851867249.db2.gz HERXTJWCDJVKGP-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148478 851867250 /nfs/dbraw/zinc/86/72/50/851867250.db2.gz HERXTJWCDJVKGP-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148478 851867253 /nfs/dbraw/zinc/86/72/53/851867253.db2.gz HERXTJWCDJVKGP-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148478 851867257 /nfs/dbraw/zinc/86/72/57/851867257.db2.gz HERXTJWCDJVKGP-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212821 851876156 /nfs/dbraw/zinc/87/61/56/851876156.db2.gz KEMXCROKHDXFKP-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212821 851876158 /nfs/dbraw/zinc/87/61/58/851876158.db2.gz KEMXCROKHDXFKP-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001190237346 851881336 /nfs/dbraw/zinc/88/13/36/851881336.db2.gz AJMQFRGVXYFTOQ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001190237346 851881338 /nfs/dbraw/zinc/88/13/38/851881338.db2.gz AJMQFRGVXYFTOQ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001190237346 851881340 /nfs/dbraw/zinc/88/13/40/851881340.db2.gz AJMQFRGVXYFTOQ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001190239915 851882599 /nfs/dbraw/zinc/88/25/99/851882599.db2.gz XLZBWXUDYRCWNJ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001190239915 851882602 /nfs/dbraw/zinc/88/26/02/851882602.db2.gz XLZBWXUDYRCWNJ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001190239915 851882614 /nfs/dbraw/zinc/88/26/14/851882614.db2.gz XLZBWXUDYRCWNJ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001190239915 851882618 /nfs/dbraw/zinc/88/26/18/851882618.db2.gz XLZBWXUDYRCWNJ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001190247161 851883430 /nfs/dbraw/zinc/88/34/30/851883430.db2.gz LXGQVDYLKGWXNV-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001190247161 851883431 /nfs/dbraw/zinc/88/34/31/851883431.db2.gz LXGQVDYLKGWXNV-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001190247161 851883436 /nfs/dbraw/zinc/88/34/36/851883436.db2.gz LXGQVDYLKGWXNV-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371713 851900286 /nfs/dbraw/zinc/90/02/86/851900286.db2.gz YNVVIKXQTNMCNT-DLBZAZTESA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371713 851900294 /nfs/dbraw/zinc/90/02/94/851900294.db2.gz YNVVIKXQTNMCNT-DLBZAZTESA-N 2 1 354.495 0.012 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371713 851900296 /nfs/dbraw/zinc/90/02/96/851900296.db2.gz YNVVIKXQTNMCNT-DLBZAZTESA-N 2 1 354.495 0.012 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726452 852477206 /nfs/dbraw/zinc/47/72/06/852477206.db2.gz CKNOYGKVYWKABM-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193726452 852477208 /nfs/dbraw/zinc/47/72/08/852477208.db2.gz CKNOYGKVYWKABM-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193726452 852477211 /nfs/dbraw/zinc/47/72/11/852477211.db2.gz CKNOYGKVYWKABM-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001193901554 852504013 /nfs/dbraw/zinc/50/40/13/852504013.db2.gz GPNWNPXVNBEKEZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001193901554 852504016 /nfs/dbraw/zinc/50/40/16/852504016.db2.gz GPNWNPXVNBEKEZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001193901554 852504018 /nfs/dbraw/zinc/50/40/18/852504018.db2.gz GPNWNPXVNBEKEZ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001193930426 852510371 /nfs/dbraw/zinc/51/03/71/852510371.db2.gz UXTPRRLNTJZCNQ-MCIONIFRSA-N 2 1 369.428 0.703 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832815 852658700 /nfs/dbraw/zinc/65/87/00/852658700.db2.gz TYYOPBHLPDXLTJ-CBYDULDESA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832815 852658703 /nfs/dbraw/zinc/65/87/03/852658703.db2.gz TYYOPBHLPDXLTJ-CBYDULDESA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832815 852658707 /nfs/dbraw/zinc/65/87/07/852658707.db2.gz TYYOPBHLPDXLTJ-CBYDULDESA-N 2 1 351.491 0.591 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982861 852686664 /nfs/dbraw/zinc/68/66/64/852686664.db2.gz SHEGOMFUWBIPOH-BRWVUGGUSA-N 2 1 355.523 0.821 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[NH+](CC)CC ZINC001196127630 852895787 /nfs/dbraw/zinc/89/57/87/852895787.db2.gz ABHZNWFDFDAMNY-BZUAXINKSA-N 2 1 354.520 0.967 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[NH+](CC)CC ZINC001196127630 852895791 /nfs/dbraw/zinc/89/57/91/852895791.db2.gz ABHZNWFDFDAMNY-BZUAXINKSA-N 2 1 354.520 0.967 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184626 852906595 /nfs/dbraw/zinc/90/65/95/852906595.db2.gz AHTREFFHHZJBKQ-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184626 852906604 /nfs/dbraw/zinc/90/66/04/852906604.db2.gz AHTREFFHHZJBKQ-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184626 852906613 /nfs/dbraw/zinc/90/66/13/852906613.db2.gz AHTREFFHHZJBKQ-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184627 852906813 /nfs/dbraw/zinc/90/68/13/852906813.db2.gz AHTREFFHHZJBKQ-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184627 852906816 /nfs/dbraw/zinc/90/68/16/852906816.db2.gz AHTREFFHHZJBKQ-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CC1 ZINC001196184627 852906819 /nfs/dbraw/zinc/90/68/19/852906819.db2.gz AHTREFFHHZJBKQ-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222620 852920485 /nfs/dbraw/zinc/92/04/85/852920485.db2.gz VFRVSYLRARWKTR-BZUAXINKSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222620 852920489 /nfs/dbraw/zinc/92/04/89/852920489.db2.gz VFRVSYLRARWKTR-BZUAXINKSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222620 852920492 /nfs/dbraw/zinc/92/04/92/852920492.db2.gz VFRVSYLRARWKTR-BZUAXINKSA-N 2 1 355.523 0.941 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001196630787 852989331 /nfs/dbraw/zinc/98/93/31/852989331.db2.gz DGUHRQGXOQZHDR-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001196630787 852989336 /nfs/dbraw/zinc/98/93/36/852989336.db2.gz DGUHRQGXOQZHDR-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001196630787 852989341 /nfs/dbraw/zinc/98/93/41/852989341.db2.gz DGUHRQGXOQZHDR-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001196630787 852989348 /nfs/dbraw/zinc/98/93/48/852989348.db2.gz DGUHRQGXOQZHDR-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001196925427 853032217 /nfs/dbraw/zinc/03/22/17/853032217.db2.gz METZTLLFNAONFT-GVDBMIGSSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001196925427 853032227 /nfs/dbraw/zinc/03/22/27/853032227.db2.gz METZTLLFNAONFT-GVDBMIGSSA-N 2 1 350.463 0.560 20 0 FCADMP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791627 853162044 /nfs/dbraw/zinc/16/20/44/853162044.db2.gz GFTWFTYKVBBCAB-KBRIMQKVSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791627 853162048 /nfs/dbraw/zinc/16/20/48/853162048.db2.gz GFTWFTYKVBBCAB-KBRIMQKVSA-N 2 1 353.438 0.626 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)s1 ZINC001197792165 853163060 /nfs/dbraw/zinc/16/30/60/853163060.db2.gz LATZYKFGPVKWGE-HZPDHXFCSA-N 2 1 355.504 0.604 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001197950267 853191125 /nfs/dbraw/zinc/19/11/25/853191125.db2.gz YDHDJDYPXWEXGF-IAGOWNOFSA-N 2 1 351.495 0.339 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956146 853191174 /nfs/dbraw/zinc/19/11/74/853191174.db2.gz WAFDCTOFHDGZLE-BZUAXINKSA-N 2 1 356.511 0.135 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956146 853191175 /nfs/dbraw/zinc/19/11/75/853191175.db2.gz WAFDCTOFHDGZLE-BZUAXINKSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038282 853209097 /nfs/dbraw/zinc/20/90/97/853209097.db2.gz NYRPYZWOOBXEPK-ARFHVFGLSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038282 853209100 /nfs/dbraw/zinc/20/91/00/853209100.db2.gz NYRPYZWOOBXEPK-ARFHVFGLSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038282 853209104 /nfs/dbraw/zinc/20/91/04/853209104.db2.gz NYRPYZWOOBXEPK-ARFHVFGLSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC001198038282 853209108 /nfs/dbraw/zinc/20/91/08/853209108.db2.gz NYRPYZWOOBXEPK-ARFHVFGLSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048402 853211455 /nfs/dbraw/zinc/21/14/55/853211455.db2.gz TUQPGLWIAOMWOI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048402 853211460 /nfs/dbraw/zinc/21/14/60/853211460.db2.gz TUQPGLWIAOMWOI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048402 853211467 /nfs/dbraw/zinc/21/14/67/853211467.db2.gz TUQPGLWIAOMWOI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048402 853211475 /nfs/dbraw/zinc/21/14/75/853211475.db2.gz TUQPGLWIAOMWOI-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O ZINC001198688011 853301281 /nfs/dbraw/zinc/30/12/81/853301281.db2.gz DCASXSZBOWMOAL-CGTJXYLNSA-N 2 1 351.491 0.616 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199057267 853361591 /nfs/dbraw/zinc/36/15/91/853361591.db2.gz FUNKJSLFLUDCRK-KZNAEPCWSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001199096312 853369423 /nfs/dbraw/zinc/36/94/23/853369423.db2.gz PRNGOHFEAVFXGE-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001199096312 853369431 /nfs/dbraw/zinc/36/94/31/853369431.db2.gz PRNGOHFEAVFXGE-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001199096312 853369437 /nfs/dbraw/zinc/36/94/37/853369437.db2.gz PRNGOHFEAVFXGE-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001199096312 853369444 /nfs/dbraw/zinc/36/94/44/853369444.db2.gz PRNGOHFEAVFXGE-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001199370012 853413294 /nfs/dbraw/zinc/41/32/94/853413294.db2.gz GXUMJDQEFPTIMN-RCCFBDPRSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001199370120 853413474 /nfs/dbraw/zinc/41/34/74/853413474.db2.gz LGPOJQHNSLUEJB-KZNAEPCWSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001199370225 853414902 /nfs/dbraw/zinc/41/49/02/853414902.db2.gz PJZUJXKYYYRTFY-QZTJIDSGSA-N 2 1 353.507 0.983 20 0 FCADMP CC[NH+](CC)CCN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC001199935305 853463776 /nfs/dbraw/zinc/46/37/76/853463776.db2.gz YIXFLZPJKDCMHL-UHFFFAOYSA-N 2 1 371.595 0.543 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001199959858 853470175 /nfs/dbraw/zinc/47/01/75/853470175.db2.gz WIBDNDHWDJSSND-QGZVFWFLSA-N 2 1 370.563 0.674 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001199959858 853470177 /nfs/dbraw/zinc/47/01/77/853470177.db2.gz WIBDNDHWDJSSND-QGZVFWFLSA-N 2 1 370.563 0.674 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001205334821 853603661 /nfs/dbraw/zinc/60/36/61/853603661.db2.gz RLRSNNWLCDGMIL-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)O1 ZINC001205519211 853620508 /nfs/dbraw/zinc/62/05/08/853620508.db2.gz ZWTVLEJAXGTKBE-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)O1 ZINC001205519211 853620512 /nfs/dbraw/zinc/62/05/12/853620512.db2.gz ZWTVLEJAXGTKBE-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796549 /nfs/dbraw/zinc/79/65/49/853796549.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 2 1 354.539 0.685 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001207280028 853796726 /nfs/dbraw/zinc/79/67/26/853796726.db2.gz LQSHKIFOYZQHRA-YESZJQIVSA-N 2 1 353.507 0.770 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001207280028 853796730 /nfs/dbraw/zinc/79/67/30/853796730.db2.gz LQSHKIFOYZQHRA-YESZJQIVSA-N 2 1 353.507 0.770 20 0 FCADMP O=C([C@@H]1C[C@@]2(CO1)CCC[N@@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437408 853812769 /nfs/dbraw/zinc/81/27/69/853812769.db2.gz WJXSZGQBASXLGQ-HKUYNNGSSA-N 2 1 351.491 0.716 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568031 853827715 /nfs/dbraw/zinc/82/77/15/853827715.db2.gz LLGVRRRMDGAVHY-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568031 853827717 /nfs/dbraw/zinc/82/77/17/853827717.db2.gz LLGVRRRMDGAVHY-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568031 853827722 /nfs/dbraw/zinc/82/77/22/853827722.db2.gz LLGVRRRMDGAVHY-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568031 853827725 /nfs/dbraw/zinc/82/77/25/853827725.db2.gz LLGVRRRMDGAVHY-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207602200 853828509 /nfs/dbraw/zinc/82/85/09/853828509.db2.gz OJYGXBRMPBLWHC-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207602200 853828512 /nfs/dbraw/zinc/82/85/12/853828512.db2.gz OJYGXBRMPBLWHC-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207602200 853828516 /nfs/dbraw/zinc/82/85/16/853828516.db2.gz OJYGXBRMPBLWHC-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001207698305 853843368 /nfs/dbraw/zinc/84/33/68/853843368.db2.gz XWQBPMDBSBEQCU-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790223 853857511 /nfs/dbraw/zinc/85/75/11/853857511.db2.gz OFAVBGMDWPBTEF-FVQBIDKESA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790223 853857513 /nfs/dbraw/zinc/85/75/13/853857513.db2.gz OFAVBGMDWPBTEF-FVQBIDKESA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207790223 853857519 /nfs/dbraw/zinc/85/75/19/853857519.db2.gz OFAVBGMDWPBTEF-FVQBIDKESA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207790223 853857522 /nfs/dbraw/zinc/85/75/22/853857522.db2.gz OFAVBGMDWPBTEF-FVQBIDKESA-N 2 1 350.507 0.964 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)CC[C@@H]2C1 ZINC001207927536 853875363 /nfs/dbraw/zinc/87/53/63/853875363.db2.gz XPFUEQKIHUUUFT-OWCLPIDISA-N 2 1 355.479 0.249 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3COC(C)(C)O3)CC[C@@H]2C1 ZINC001207927536 853875366 /nfs/dbraw/zinc/87/53/66/853875366.db2.gz XPFUEQKIHUUUFT-OWCLPIDISA-N 2 1 355.479 0.249 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3COC(C)(C)O3)CC[C@@H]2C1 ZINC001207927536 853875370 /nfs/dbraw/zinc/87/53/70/853875370.db2.gz XPFUEQKIHUUUFT-OWCLPIDISA-N 2 1 355.479 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001208070103 853890712 /nfs/dbraw/zinc/89/07/12/853890712.db2.gz DCBYXJIXXHWYJP-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001208070084 853890748 /nfs/dbraw/zinc/89/07/48/853890748.db2.gz CPKYLCMYZXXCIN-FRRDWIJNSA-N 2 1 366.491 0.397 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208113897 853897939 /nfs/dbraw/zinc/89/79/39/853897939.db2.gz KPAGYNIBOAAVRP-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208113897 853897943 /nfs/dbraw/zinc/89/79/43/853897943.db2.gz KPAGYNIBOAAVRP-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)O1 ZINC001208410572 853930092 /nfs/dbraw/zinc/93/00/92/853930092.db2.gz BJWDQWSUEHPGAQ-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)O1 ZINC001208410572 853930094 /nfs/dbraw/zinc/93/00/94/853930094.db2.gz BJWDQWSUEHPGAQ-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410955 853930368 /nfs/dbraw/zinc/93/03/68/853930368.db2.gz JIOWZNCFDSFGNM-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410955 853930369 /nfs/dbraw/zinc/93/03/69/853930369.db2.gz JIOWZNCFDSFGNM-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425488 853932170 /nfs/dbraw/zinc/93/21/70/853932170.db2.gz KICKIRZBGWNOCR-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425488 853932172 /nfs/dbraw/zinc/93/21/72/853932172.db2.gz KICKIRZBGWNOCR-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435241 853934202 /nfs/dbraw/zinc/93/42/02/853934202.db2.gz YCVLLNVOMQJKGC-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435226 853934225 /nfs/dbraw/zinc/93/42/25/853934225.db2.gz XRKRUPMJMYYLSN-HUUCEWRRSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496319 853943540 /nfs/dbraw/zinc/94/35/40/853943540.db2.gz PKHPGQHXDWGNGN-HZPDHXFCSA-N 2 1 356.511 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496319 853943544 /nfs/dbraw/zinc/94/35/44/853943544.db2.gz PKHPGQHXDWGNGN-HZPDHXFCSA-N 2 1 356.511 0.306 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001208597114 853959086 /nfs/dbraw/zinc/95/90/86/853959086.db2.gz JFGINYDPZFTBDY-FRFSOERESA-N 2 1 350.463 0.199 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001208597114 853959089 /nfs/dbraw/zinc/95/90/89/853959089.db2.gz JFGINYDPZFTBDY-FRFSOERESA-N 2 1 350.463 0.199 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001208597115 853959497 /nfs/dbraw/zinc/95/94/97/853959497.db2.gz JFGINYDPZFTBDY-UKPHBRMFSA-N 2 1 350.463 0.199 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001208597115 853959498 /nfs/dbraw/zinc/95/94/98/853959498.db2.gz JFGINYDPZFTBDY-UKPHBRMFSA-N 2 1 350.463 0.199 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)C1 ZINC001208614755 853960340 /nfs/dbraw/zinc/96/03/40/853960340.db2.gz UKNZTLRSLSFTMM-INIZCTEOSA-N 2 1 359.536 0.702 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208610962 853960716 /nfs/dbraw/zinc/96/07/16/853960716.db2.gz SLGOTNRQUYLVSO-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960049 853984916 /nfs/dbraw/zinc/98/49/16/853984916.db2.gz WJJUJWCSJBTMNX-GUDVDZBRSA-N 2 1 353.507 0.914 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960049 853984911 /nfs/dbraw/zinc/98/49/11/853984911.db2.gz WJJUJWCSJBTMNX-GUDVDZBRSA-N 2 1 353.507 0.914 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960049 853984915 /nfs/dbraw/zinc/98/49/15/853984915.db2.gz WJJUJWCSJBTMNX-GUDVDZBRSA-N 2 1 353.507 0.914 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001209506890 854032886 /nfs/dbraw/zinc/03/28/86/854032886.db2.gz VGRIGVUQOBAXDD-AQEOSJORSA-N 2 1 353.507 0.960 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001209506890 854032889 /nfs/dbraw/zinc/03/28/89/854032889.db2.gz VGRIGVUQOBAXDD-AQEOSJORSA-N 2 1 353.507 0.960 20 0 FCADMP Nc1c(I)cnn1-c1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262113 854094262 /nfs/dbraw/zinc/09/42/62/854094262.db2.gz SCNHKIMHSDVLJX-UHFFFAOYSA-N 2 1 370.198 0.864 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330143 854101963 /nfs/dbraw/zinc/10/19/63/854101963.db2.gz PHPLAXAVZBDHHB-OWCLPIDISA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330143 854101967 /nfs/dbraw/zinc/10/19/67/854101967.db2.gz PHPLAXAVZBDHHB-OWCLPIDISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032258 854147997 /nfs/dbraw/zinc/14/79/97/854147997.db2.gz WVQZWMXRTJAIPX-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032258 854147998 /nfs/dbraw/zinc/14/79/98/854147998.db2.gz WVQZWMXRTJAIPX-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001211046208 854150612 /nfs/dbraw/zinc/15/06/12/854150612.db2.gz JWPQUPAGWHPICH-SOLBZPMBSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367741 854181994 /nfs/dbraw/zinc/18/19/94/854181994.db2.gz YOKGGRZZQAYBHY-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367741 854181996 /nfs/dbraw/zinc/18/19/96/854181996.db2.gz YOKGGRZZQAYBHY-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367741 854181998 /nfs/dbraw/zinc/18/19/98/854181998.db2.gz YOKGGRZZQAYBHY-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001211367741 854182000 /nfs/dbraw/zinc/18/20/00/854182000.db2.gz YOKGGRZZQAYBHY-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371038 854183260 /nfs/dbraw/zinc/18/32/60/854183260.db2.gz IXASISSXSINKES-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371038 854183265 /nfs/dbraw/zinc/18/32/65/854183265.db2.gz IXASISSXSINKES-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371038 854183270 /nfs/dbraw/zinc/18/32/70/854183270.db2.gz IXASISSXSINKES-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293581 854430249 /nfs/dbraw/zinc/43/02/49/854430249.db2.gz YEOSUVCOQOEPLR-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293511 854430627 /nfs/dbraw/zinc/43/06/27/854430627.db2.gz UIKVLIFGPHECSF-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409400 854467394 /nfs/dbraw/zinc/46/73/94/854467394.db2.gz FMNQCQLFVNCQGU-OAGGEKHMSA-N 2 1 352.504 0.841 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409400 854467403 /nfs/dbraw/zinc/46/74/03/854467403.db2.gz FMNQCQLFVNCQGU-OAGGEKHMSA-N 2 1 352.504 0.841 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418605 854470661 /nfs/dbraw/zinc/47/06/61/854470661.db2.gz KMYHHBPIXNTAAH-OWCLPIDISA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418605 854470662 /nfs/dbraw/zinc/47/06/62/854470662.db2.gz KMYHHBPIXNTAAH-OWCLPIDISA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418605 854470665 /nfs/dbraw/zinc/47/06/65/854470665.db2.gz KMYHHBPIXNTAAH-OWCLPIDISA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418605 854470666 /nfs/dbraw/zinc/47/06/66/854470666.db2.gz KMYHHBPIXNTAAH-OWCLPIDISA-N 2 1 354.495 0.330 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487356 854499599 /nfs/dbraw/zinc/49/95/99/854499599.db2.gz ZWXUEMFLPHWPRP-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487356 854499605 /nfs/dbraw/zinc/49/96/05/854499605.db2.gz ZWXUEMFLPHWPRP-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487356 854499609 /nfs/dbraw/zinc/49/96/09/854499609.db2.gz ZWXUEMFLPHWPRP-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212487356 854499610 /nfs/dbraw/zinc/49/96/10/854499610.db2.gz ZWXUEMFLPHWPRP-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495289 854500539 /nfs/dbraw/zinc/50/05/39/854500539.db2.gz BHIACQAXMAGZOY-IAGOWNOFSA-N 2 1 350.463 0.760 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213369332 854590024 /nfs/dbraw/zinc/59/00/24/854590024.db2.gz OKVSWAFNHNLCRR-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC)[NH+](CC)CC ZINC001213435026 854614869 /nfs/dbraw/zinc/61/48/69/854614869.db2.gz QCWMHJBYAOMSBW-IXDOHACOSA-N 2 1 359.511 0.585 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446373 854619452 /nfs/dbraw/zinc/61/94/52/854619452.db2.gz JXPKZSVDEBVCKV-HUUCEWRRSA-N 2 1 352.483 0.071 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446373 854619457 /nfs/dbraw/zinc/61/94/57/854619457.db2.gz JXPKZSVDEBVCKV-HUUCEWRRSA-N 2 1 352.483 0.071 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446373 854619469 /nfs/dbraw/zinc/61/94/69/854619469.db2.gz JXPKZSVDEBVCKV-HUUCEWRRSA-N 2 1 352.483 0.071 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446373 854619477 /nfs/dbraw/zinc/61/94/77/854619477.db2.gz JXPKZSVDEBVCKV-HUUCEWRRSA-N 2 1 352.483 0.071 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446920 854620689 /nfs/dbraw/zinc/62/06/89/854620689.db2.gz ZUZCQADIUGVTQG-HZPDHXFCSA-N 2 1 351.495 0.676 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446920 854620692 /nfs/dbraw/zinc/62/06/92/854620692.db2.gz ZUZCQADIUGVTQG-HZPDHXFCSA-N 2 1 351.495 0.676 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446920 854620699 /nfs/dbraw/zinc/62/06/99/854620699.db2.gz ZUZCQADIUGVTQG-HZPDHXFCSA-N 2 1 351.495 0.676 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CC1 ZINC001213728769 854739207 /nfs/dbraw/zinc/73/92/07/854739207.db2.gz RZZDDTGLJOGSHD-IXDOHACOSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730064 854739559 /nfs/dbraw/zinc/73/95/59/854739559.db2.gz CCMWVNAUUQOPCW-RBSFLKMASA-N 2 1 363.449 0.815 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001213764773 854757370 /nfs/dbraw/zinc/75/73/70/854757370.db2.gz BUQZEAAYOCUBMD-KFWWJZLASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001213764773 854757375 /nfs/dbraw/zinc/75/73/75/854757375.db2.gz BUQZEAAYOCUBMD-KFWWJZLASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001213764773 854757377 /nfs/dbraw/zinc/75/73/77/854757377.db2.gz BUQZEAAYOCUBMD-KFWWJZLASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001213764773 854757382 /nfs/dbraw/zinc/75/73/82/854757382.db2.gz BUQZEAAYOCUBMD-KFWWJZLASA-N 2 1 363.449 0.958 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213767306 854760083 /nfs/dbraw/zinc/76/00/83/854760083.db2.gz MQXVEGJGYRHMCT-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213767306 854760087 /nfs/dbraw/zinc/76/00/87/854760087.db2.gz MQXVEGJGYRHMCT-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213767306 854760093 /nfs/dbraw/zinc/76/00/93/854760093.db2.gz MQXVEGJGYRHMCT-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213767306 854760099 /nfs/dbraw/zinc/76/00/99/854760099.db2.gz MQXVEGJGYRHMCT-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214344033 854928351 /nfs/dbraw/zinc/92/83/51/854928351.db2.gz MORIUDMTXQTCQA-UTUOFQBUSA-N 2 1 352.464 0.007 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664082 854988014 /nfs/dbraw/zinc/98/80/14/854988014.db2.gz KGVUVWQDNYTXIT-QBPKDAKJSA-N 2 1 373.563 0.976 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757332 855003416 /nfs/dbraw/zinc/00/34/16/855003416.db2.gz JFIRAROSSOWITJ-RBSFLKMASA-N 2 1 354.474 0.914 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214889079 855028964 /nfs/dbraw/zinc/02/89/64/855028964.db2.gz GYWSYJJJAWIAKO-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCOCC1CCC1 ZINC001214949829 855039006 /nfs/dbraw/zinc/03/90/06/855039006.db2.gz BRDOHEWPWFGDRC-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCOCC1CCC1 ZINC001214949829 855039010 /nfs/dbraw/zinc/03/90/10/855039010.db2.gz BRDOHEWPWFGDRC-JOCBIADPSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001215392974 855108664 /nfs/dbraw/zinc/10/86/64/855108664.db2.gz ITKSIJDVFKTZJB-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001215392974 855108669 /nfs/dbraw/zinc/10/86/69/855108669.db2.gz ITKSIJDVFKTZJB-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536550 855126479 /nfs/dbraw/zinc/12/64/79/855126479.db2.gz RZBJAPQAIZMMBC-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001215540994 855127461 /nfs/dbraw/zinc/12/74/61/855127461.db2.gz UJDFWUYYKVDSTD-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215550693 855128289 /nfs/dbraw/zinc/12/82/89/855128289.db2.gz FBZHTHBKBXPQTH-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929924 855157687 /nfs/dbraw/zinc/15/76/87/855157687.db2.gz LNKDYNBHRLMHGF-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC001215929213 855157905 /nfs/dbraw/zinc/15/79/05/855157905.db2.gz BOVBJSVQYQTBPS-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP CO[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CCC1 ZINC001215939175 855158709 /nfs/dbraw/zinc/15/87/09/855158709.db2.gz XJFNLQNFGLIIBV-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216217090 855180722 /nfs/dbraw/zinc/18/07/22/855180722.db2.gz HFNUXSLBDWMSST-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216217242 855180906 /nfs/dbraw/zinc/18/09/06/855180906.db2.gz MHBWELLWVIFUEB-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383806 855197031 /nfs/dbraw/zinc/19/70/31/855197031.db2.gz QFCDRSFLUXDDIW-OWCLPIDISA-N 2 1 353.511 0.472 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216502494 855208554 /nfs/dbraw/zinc/20/85/54/855208554.db2.gz DRYQREXJMGYHHZ-VXGBXAGGSA-N 2 1 354.480 0.255 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001216801586 855247149 /nfs/dbraw/zinc/24/71/49/855247149.db2.gz OOYRIWMORAXPBY-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001216801586 855247154 /nfs/dbraw/zinc/24/71/54/855247154.db2.gz OOYRIWMORAXPBY-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)cc1=O ZINC001216851633 855259614 /nfs/dbraw/zinc/25/96/14/855259614.db2.gz DCWAWRSFGXSLLC-UKRRQHHQSA-N 2 1 351.447 0.925 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216852425 855260179 /nfs/dbraw/zinc/26/01/79/855260179.db2.gz ZDDJUVFIWZOWCQ-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001217743549 855371873 /nfs/dbraw/zinc/37/18/73/855371873.db2.gz VEZYLGXVGNSADP-ABHRYQDASA-N 2 1 353.467 0.882 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218087126 855396478 /nfs/dbraw/zinc/39/64/78/855396478.db2.gz BWHSNVOQANRFQO-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001218087126 855396487 /nfs/dbraw/zinc/39/64/87/855396487.db2.gz BWHSNVOQANRFQO-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001218087126 855396497 /nfs/dbraw/zinc/39/64/97/855396497.db2.gz BWHSNVOQANRFQO-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001218108353 855397787 /nfs/dbraw/zinc/39/77/87/855397787.db2.gz CEGCXVSUJAKDBE-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001218108353 855397791 /nfs/dbraw/zinc/39/77/91/855397791.db2.gz CEGCXVSUJAKDBE-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001218108353 855397799 /nfs/dbraw/zinc/39/77/99/855397799.db2.gz CEGCXVSUJAKDBE-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001218165016 855403460 /nfs/dbraw/zinc/40/34/60/855403460.db2.gz QRHYLGPTMMCOLE-YWVKMMECSA-N 2 1 352.391 0.061 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218165438 855403679 /nfs/dbraw/zinc/40/36/79/855403679.db2.gz UBZKBGCKOUYIKA-NGZCFLSTSA-N 2 1 352.391 0.061 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 ZINC001218927810 855497655 /nfs/dbraw/zinc/49/76/55/855497655.db2.gz LEECHPCOFKZSTG-AWEZNQCLSA-N 2 1 350.444 0.134 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOCCOC)C[C@@H]21 ZINC001219004613 855510370 /nfs/dbraw/zinc/51/03/70/855510370.db2.gz OQKCJLLKYIQOJQ-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOCCOC)C[C@@H]21 ZINC001219004613 855510377 /nfs/dbraw/zinc/51/03/77/855510377.db2.gz OQKCJLLKYIQOJQ-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCOC)C[C@@H]21 ZINC001219004613 855510384 /nfs/dbraw/zinc/51/03/84/855510384.db2.gz OQKCJLLKYIQOJQ-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]21 ZINC001219004613 855510391 /nfs/dbraw/zinc/51/03/91/855510391.db2.gz OQKCJLLKYIQOJQ-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049453 855525329 /nfs/dbraw/zinc/52/53/29/855525329.db2.gz NZJREAQDWOVUTP-OKZBNKHCSA-N 2 1 353.507 0.935 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357666 855644952 /nfs/dbraw/zinc/64/49/52/855644952.db2.gz GKWPXAWMJNWOKP-AGIUHOORSA-N 2 1 353.385 0.211 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357666 855644956 /nfs/dbraw/zinc/64/49/56/855644956.db2.gz GKWPXAWMJNWOKP-AGIUHOORSA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357666 855644959 /nfs/dbraw/zinc/64/49/59/855644959.db2.gz GKWPXAWMJNWOKP-AGIUHOORSA-N 2 1 353.385 0.211 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219357666 855644962 /nfs/dbraw/zinc/64/49/62/855644962.db2.gz GKWPXAWMJNWOKP-AGIUHOORSA-N 2 1 353.385 0.211 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634910 855746899 /nfs/dbraw/zinc/74/68/99/855746899.db2.gz KDNQDFOARNORNE-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634910 855746903 /nfs/dbraw/zinc/74/69/03/855746903.db2.gz KDNQDFOARNORNE-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634910 855746908 /nfs/dbraw/zinc/74/69/08/855746908.db2.gz KDNQDFOARNORNE-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219724375 855785898 /nfs/dbraw/zinc/78/58/98/855785898.db2.gz JEYRSRBKOVRPLB-ZNMIVQPWSA-N 2 1 358.483 0.527 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219724375 855785902 /nfs/dbraw/zinc/78/59/02/855785902.db2.gz JEYRSRBKOVRPLB-ZNMIVQPWSA-N 2 1 358.483 0.527 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219798409 855818413 /nfs/dbraw/zinc/81/84/13/855818413.db2.gz LHABYWPNQCWSTK-OLZOCXBDSA-N 2 1 367.412 0.601 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219927754 855882059 /nfs/dbraw/zinc/88/20/59/855882059.db2.gz AWSDLOVUNHGVJT-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219927754 855882064 /nfs/dbraw/zinc/88/20/64/855882064.db2.gz AWSDLOVUNHGVJT-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001219927754 855882071 /nfs/dbraw/zinc/88/20/71/855882071.db2.gz AWSDLOVUNHGVJT-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001219927754 855882075 /nfs/dbraw/zinc/88/20/75/855882075.db2.gz AWSDLOVUNHGVJT-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944074 855890785 /nfs/dbraw/zinc/89/07/85/855890785.db2.gz NDECLBZKAROKTO-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944074 855890790 /nfs/dbraw/zinc/89/07/90/855890790.db2.gz NDECLBZKAROKTO-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001220034608 855928583 /nfs/dbraw/zinc/92/85/83/855928583.db2.gz WTARIEISJXOMLI-PLQZLIEUSA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001220034608 855928589 /nfs/dbraw/zinc/92/85/89/855928589.db2.gz WTARIEISJXOMLI-PLQZLIEUSA-N 2 1 355.454 0.151 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001220034608 855928595 /nfs/dbraw/zinc/92/85/95/855928595.db2.gz WTARIEISJXOMLI-PLQZLIEUSA-N 2 1 355.454 0.151 20 0 FCADMP CC(C)(C)OC(=O)C1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039715 855929754 /nfs/dbraw/zinc/92/97/54/855929754.db2.gz PSPCEQAVRITHDT-UHFFFAOYSA-N 3 1 354.495 0.426 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039386 855929830 /nfs/dbraw/zinc/92/98/30/855929830.db2.gz CFXIJHYKLRWQSI-JKGQDXBKSA-N 2 1 357.451 0.365 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062271 855940698 /nfs/dbraw/zinc/94/06/98/855940698.db2.gz SOWMCYMOWJIRPY-CVEARBPZSA-N 2 1 371.547 0.782 20 0 FCADMP CN(C)Cc1nc(CSCCNC(=O)C[NH2+]C2CC[NH2+]CC2)cs1 ZINC001220128773 855973825 /nfs/dbraw/zinc/97/38/25/855973825.db2.gz NQQFVCLGRNAUKZ-UHFFFAOYSA-N 2 1 371.576 0.896 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)s1 ZINC001220229078 856022173 /nfs/dbraw/zinc/02/21/73/856022173.db2.gz LUIWJMOOJNGUHU-KGLIPLIRSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)s1 ZINC001220229078 856022186 /nfs/dbraw/zinc/02/21/86/856022186.db2.gz LUIWJMOOJNGUHU-KGLIPLIRSA-N 2 1 352.504 0.763 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220237891 856025473 /nfs/dbraw/zinc/02/54/73/856025473.db2.gz HCNSXTKFCPOWKO-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220237891 856025482 /nfs/dbraw/zinc/02/54/82/856025482.db2.gz HCNSXTKFCPOWKO-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220253786 856031188 /nfs/dbraw/zinc/03/11/88/856031188.db2.gz DBJFZGIUABHHIC-RYUDHWBXSA-N 2 1 352.401 0.763 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001220273653 856039011 /nfs/dbraw/zinc/03/90/11/856039011.db2.gz QQJHQFMTFBZOIM-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220297127 856050823 /nfs/dbraw/zinc/05/08/23/856050823.db2.gz MBAMTXDDABSXKN-IXDOHACOSA-N 2 1 351.495 0.193 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220297127 856050836 /nfs/dbraw/zinc/05/08/36/856050836.db2.gz MBAMTXDDABSXKN-IXDOHACOSA-N 2 1 351.495 0.193 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[NH+](CC)CC ZINC001220344492 856076521 /nfs/dbraw/zinc/07/65/21/856076521.db2.gz ABHZNWFDFDAMNY-PMPSAXMXSA-N 2 1 354.520 0.967 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[NH+](CC)CC ZINC001220344492 856076529 /nfs/dbraw/zinc/07/65/29/856076529.db2.gz ABHZNWFDFDAMNY-PMPSAXMXSA-N 2 1 354.520 0.967 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369849 856088794 /nfs/dbraw/zinc/08/87/94/856088794.db2.gz UYGODFQPXDTKOR-HZSPNIEDSA-N 2 1 363.449 0.550 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369849 856088799 /nfs/dbraw/zinc/08/87/99/856088799.db2.gz UYGODFQPXDTKOR-HZSPNIEDSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369849 856088802 /nfs/dbraw/zinc/08/88/02/856088802.db2.gz UYGODFQPXDTKOR-HZSPNIEDSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220369849 856088808 /nfs/dbraw/zinc/08/88/08/856088808.db2.gz UYGODFQPXDTKOR-HZSPNIEDSA-N 2 1 363.449 0.550 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220478606 856146219 /nfs/dbraw/zinc/14/62/19/856146219.db2.gz DWVXPCQKPUXJAJ-MJBXVCDLSA-N 2 1 367.412 0.193 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220478606 856146228 /nfs/dbraw/zinc/14/62/28/856146228.db2.gz DWVXPCQKPUXJAJ-MJBXVCDLSA-N 2 1 367.412 0.193 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220553411 856181708 /nfs/dbraw/zinc/18/17/08/856181708.db2.gz IRRYLXPBBZSZEK-SJORKVTESA-N 2 1 351.491 0.450 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220553411 856181716 /nfs/dbraw/zinc/18/17/16/856181716.db2.gz IRRYLXPBBZSZEK-SJORKVTESA-N 2 1 351.491 0.450 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CC1 ZINC001220600047 856201673 /nfs/dbraw/zinc/20/16/73/856201673.db2.gz YNUHUYOHXXVITQ-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CC1 ZINC001220600047 856201683 /nfs/dbraw/zinc/20/16/83/856201683.db2.gz YNUHUYOHXXVITQ-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764197 856286483 /nfs/dbraw/zinc/28/64/83/856286483.db2.gz CCQIIOPPPNIGDQ-XKQJLSEDSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764197 856286493 /nfs/dbraw/zinc/28/64/93/856286493.db2.gz CCQIIOPPPNIGDQ-XKQJLSEDSA-N 2 1 353.438 0.626 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220806922 856310679 /nfs/dbraw/zinc/31/06/79/856310679.db2.gz MKPIOGUZIKTTFK-KURKYZTESA-N 2 1 355.523 0.821 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826175 856326402 /nfs/dbraw/zinc/32/64/02/856326402.db2.gz QOHPPFFMYGEWDI-UPJWGTAASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826175 856326410 /nfs/dbraw/zinc/32/64/10/856326410.db2.gz QOHPPFFMYGEWDI-UPJWGTAASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826175 856326417 /nfs/dbraw/zinc/32/64/17/856326417.db2.gz QOHPPFFMYGEWDI-UPJWGTAASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826175 856326425 /nfs/dbraw/zinc/32/64/25/856326425.db2.gz QOHPPFFMYGEWDI-UPJWGTAASA-N 2 1 355.401 0.193 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220994610 856413577 /nfs/dbraw/zinc/41/35/77/856413577.db2.gz YWZXSJZEAKPDGO-KSZLIROESA-N 2 1 353.507 0.840 20 0 FCADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221008209 856421063 /nfs/dbraw/zinc/42/10/63/856421063.db2.gz NBNMVKJKXQLEDS-CYBMUJFWSA-N 2 1 362.455 0.365 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091215 856457285 /nfs/dbraw/zinc/45/72/85/856457285.db2.gz GBLPIMHBVRQKKM-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221155041 856488196 /nfs/dbraw/zinc/48/81/96/856488196.db2.gz YUKHXEIUWTVCKF-SJORKVTESA-N 2 1 357.495 0.077 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793064 856685724 /nfs/dbraw/zinc/68/57/24/856685724.db2.gz MVVSDWNYYLQXFJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793064 856685726 /nfs/dbraw/zinc/68/57/26/856685726.db2.gz MVVSDWNYYLQXFJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221848360 856708590 /nfs/dbraw/zinc/70/85/90/856708590.db2.gz LKQLGEWIFOJFEY-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221848360 856708594 /nfs/dbraw/zinc/70/85/94/856708594.db2.gz LKQLGEWIFOJFEY-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221848360 856708597 /nfs/dbraw/zinc/70/85/97/856708597.db2.gz LKQLGEWIFOJFEY-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945018 856743106 /nfs/dbraw/zinc/74/31/06/856743106.db2.gz FERFCRNFXHSPIQ-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945018 856743114 /nfs/dbraw/zinc/74/31/14/856743114.db2.gz FERFCRNFXHSPIQ-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945018 856743125 /nfs/dbraw/zinc/74/31/25/856743125.db2.gz FERFCRNFXHSPIQ-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945018 856743136 /nfs/dbraw/zinc/74/31/36/856743136.db2.gz FERFCRNFXHSPIQ-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950453 856746294 /nfs/dbraw/zinc/74/62/94/856746294.db2.gz ISKSVFWGAROBNO-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950453 856746299 /nfs/dbraw/zinc/74/62/99/856746299.db2.gz ISKSVFWGAROBNO-BZUAXINKSA-N 2 1 354.495 0.141 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438337 856839720 /nfs/dbraw/zinc/83/97/20/856839720.db2.gz KNOFZDBFTXNLKI-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438337 856839727 /nfs/dbraw/zinc/83/97/27/856839727.db2.gz KNOFZDBFTXNLKI-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222438337 856839728 /nfs/dbraw/zinc/83/97/28/856839728.db2.gz KNOFZDBFTXNLKI-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222438337 856839735 /nfs/dbraw/zinc/83/97/35/856839735.db2.gz KNOFZDBFTXNLKI-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223024330 856891395 /nfs/dbraw/zinc/89/13/95/856891395.db2.gz YKNOCIMZHSRAPL-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223024330 856891401 /nfs/dbraw/zinc/89/14/01/856891401.db2.gz YKNOCIMZHSRAPL-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223024330 856891413 /nfs/dbraw/zinc/89/14/13/856891413.db2.gz YKNOCIMZHSRAPL-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223425189 856915626 /nfs/dbraw/zinc/91/56/26/856915626.db2.gz OTCUZCGSZVBHLU-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430870 856917279 /nfs/dbraw/zinc/91/72/79/856917279.db2.gz QVNNKKZOLUXVNG-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223946547 856952818 /nfs/dbraw/zinc/95/28/18/856952818.db2.gz BZGGACZLKRTIPH-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223984808 856954748 /nfs/dbraw/zinc/95/47/48/856954748.db2.gz JKOPIHBBQKUZQW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223984808 856954753 /nfs/dbraw/zinc/95/47/53/856954753.db2.gz JKOPIHBBQKUZQW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223984808 856954756 /nfs/dbraw/zinc/95/47/56/856954756.db2.gz JKOPIHBBQKUZQW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223984808 856954762 /nfs/dbraw/zinc/95/47/62/856954762.db2.gz JKOPIHBBQKUZQW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224226969 856970715 /nfs/dbraw/zinc/97/07/15/856970715.db2.gz AAEQQNTWFWPULC-SJORKVTESA-N 2 1 371.547 0.830 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224226969 856970724 /nfs/dbraw/zinc/97/07/24/856970724.db2.gz AAEQQNTWFWPULC-SJORKVTESA-N 2 1 371.547 0.830 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224228236 856970974 /nfs/dbraw/zinc/97/09/74/856970974.db2.gz YVSRANVPSZJTAY-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001225346062 857036064 /nfs/dbraw/zinc/03/60/64/857036064.db2.gz IDAYLCKIOYJKBN-BZUAXINKSA-N 2 1 371.547 0.922 20 0 FCADMP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001226781806 857125499 /nfs/dbraw/zinc/12/54/99/857125499.db2.gz BJHBZQYXTHTHAA-BRWVUGGUSA-N 2 1 351.495 0.867 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226891978 857130248 /nfs/dbraw/zinc/13/02/48/857130248.db2.gz XCTNPVMUOBPCIS-BZUAXINKSA-N 2 1 359.536 0.922 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C)[NH+](CC)CC ZINC001228559844 857215536 /nfs/dbraw/zinc/21/55/36/857215536.db2.gz ZTTYUBVDIPNPPZ-KFWWJZLASA-N 2 1 351.499 0.848 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229868257 857290269 /nfs/dbraw/zinc/29/02/69/857290269.db2.gz FNUJHWIRYXWOEU-BZUAXINKSA-N 2 1 359.536 0.780 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229877348 857291248 /nfs/dbraw/zinc/29/12/48/857291248.db2.gz QTNHHWNVTCOUGA-HUUCEWRRSA-N 2 1 352.479 0.494 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001230137980 857306185 /nfs/dbraw/zinc/30/61/85/857306185.db2.gz AIBWYSZYEFIPKK-BRWVUGGUSA-N 2 1 350.507 0.871 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001230141392 857306897 /nfs/dbraw/zinc/30/68/97/857306897.db2.gz JAQDSVRAVYXYFH-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284542 857322820 /nfs/dbraw/zinc/32/28/20/857322820.db2.gz KBNZDSWJPXOSMW-BRWVUGGUSA-N 2 1 359.511 0.368 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279467134 862897626 /nfs/dbraw/zinc/89/76/26/862897626.db2.gz IQKCSQOKRDSPMN-GVDBMIGSSA-N 2 1 350.507 0.239 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001230284949 857322903 /nfs/dbraw/zinc/32/29/03/857322903.db2.gz YQAAQRALVXPDRA-BZUAXINKSA-N 2 1 359.536 0.778 20 0 FCADMP Cn1ncc(I)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234988972 857416708 /nfs/dbraw/zinc/41/67/08/857416708.db2.gz KMSLEUFVAUOGAX-GFCCVEGCSA-N 2 1 361.231 0.162 20 0 FCADMP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235492539 857424898 /nfs/dbraw/zinc/42/48/98/857424898.db2.gz BCVLNVYRIREABD-VKJFTORMSA-N 2 1 355.479 0.439 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)O1 ZINC001235570653 857428674 /nfs/dbraw/zinc/42/86/74/857428674.db2.gz ZRKFXDXYNNHDMN-YYIAUSFCSA-N 2 1 351.491 0.964 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)O1 ZINC001235570653 857428681 /nfs/dbraw/zinc/42/86/81/857428681.db2.gz ZRKFXDXYNNHDMN-YYIAUSFCSA-N 2 1 351.491 0.964 20 0 FCADMP CC(C)N(C)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235727781 857431114 /nfs/dbraw/zinc/43/11/14/857431114.db2.gz ZSEJHYRQHBQAOH-BZUAXINKSA-N 2 1 354.495 0.105 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024931 857435655 /nfs/dbraw/zinc/43/56/55/857435655.db2.gz SSVICVLLLFWKGU-HLUFSKSISA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024931 857435659 /nfs/dbraw/zinc/43/56/59/857435659.db2.gz SSVICVLLLFWKGU-HLUFSKSISA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024931 857435662 /nfs/dbraw/zinc/43/56/62/857435662.db2.gz SSVICVLLLFWKGU-HLUFSKSISA-N 3 1 357.445 0.808 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CC[C@@H]1CCOC12C[NH2+]C2 ZINC001245981909 857562901 /nfs/dbraw/zinc/56/29/01/857562901.db2.gz HEAOWEGEBGYOJE-XOKHGSTOSA-N 2 1 355.429 0.554 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030082 857566183 /nfs/dbraw/zinc/56/61/83/857566183.db2.gz CAWOKXJBPGJIGU-LSDHHAIUSA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030082 857566189 /nfs/dbraw/zinc/56/61/89/857566189.db2.gz CAWOKXJBPGJIGU-LSDHHAIUSA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@@]12CNC[C@@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030082 857566198 /nfs/dbraw/zinc/56/61/98/857566198.db2.gz CAWOKXJBPGJIGU-LSDHHAIUSA-N 2 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@@]12CNC[C@@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030082 857566205 /nfs/dbraw/zinc/56/62/05/857566205.db2.gz CAWOKXJBPGJIGU-LSDHHAIUSA-N 2 1 365.396 0.118 20 0 FCADMP OC1(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246052484 857567322 /nfs/dbraw/zinc/56/73/22/857567322.db2.gz MUODWVVRTDQMHZ-UHFFFAOYSA-N 3 1 354.539 0.125 20 0 FCADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001246204477 857570142 /nfs/dbraw/zinc/57/01/42/857570142.db2.gz XKLYPBMGJODTAU-AWEZNQCLSA-N 2 1 363.524 0.839 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CCOCC4(CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246613530 857586806 /nfs/dbraw/zinc/58/68/06/857586806.db2.gz LGKZBOUWDUSKPX-HPZPOOBXSA-N 3 1 351.491 0.761 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@@H+]3CCOCC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246613530 857586809 /nfs/dbraw/zinc/58/68/09/857586809.db2.gz LGKZBOUWDUSKPX-HPZPOOBXSA-N 2 1 351.491 0.761 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CCOCC4(CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246613530 857586819 /nfs/dbraw/zinc/58/68/19/857586819.db2.gz LGKZBOUWDUSKPX-HPZPOOBXSA-N 2 1 351.491 0.761 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246668938 857588160 /nfs/dbraw/zinc/58/81/60/857588160.db2.gz QMUQBBHSCOQALB-RLFYNMQTSA-N 2 1 355.479 0.140 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736794 857595970 /nfs/dbraw/zinc/59/59/70/857595970.db2.gz BLIFIHISFLFFCO-PNKHAZJDSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733745 857596107 /nfs/dbraw/zinc/59/61/07/857596107.db2.gz BIPSFARUDNUWQU-MTNOOBJLSA-N 2 1 351.491 0.714 20 0 FCADMP CCOC(=O)C1(C)CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926803 857606701 /nfs/dbraw/zinc/60/67/01/857606701.db2.gz UWEIUQCRAGDIGW-UHFFFAOYSA-N 3 1 356.511 0.614 20 0 FCADMP CCOC(=O)C1(C)CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926803 857606704 /nfs/dbraw/zinc/60/67/04/857606704.db2.gz UWEIUQCRAGDIGW-UHFFFAOYSA-N 2 1 356.511 0.614 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279518435 862933342 /nfs/dbraw/zinc/93/33/42/862933342.db2.gz VKVYEKWAZGPTBV-MAUKXSAKSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251632613 857737727 /nfs/dbraw/zinc/73/77/27/857737727.db2.gz DLNHTSVCNLGQDJ-NSHDSACASA-N 2 1 359.364 0.018 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001253184670 857869134 /nfs/dbraw/zinc/86/91/34/857869134.db2.gz IQONUIIDBGDHDC-XMTFNYHQSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389720 857884637 /nfs/dbraw/zinc/88/46/37/857884637.db2.gz BEBPDCPANHKGBQ-MDZRGWNJSA-N 2 1 355.523 0.846 20 0 FCADMP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389720 857884650 /nfs/dbraw/zinc/88/46/50/857884650.db2.gz BEBPDCPANHKGBQ-MDZRGWNJSA-N 2 1 355.523 0.846 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279590621 862970126 /nfs/dbraw/zinc/97/01/26/862970126.db2.gz FYINNKURYFZOIJ-IBGZPJMESA-N 2 1 354.539 0.829 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279590621 862970129 /nfs/dbraw/zinc/97/01/29/862970129.db2.gz FYINNKURYFZOIJ-IBGZPJMESA-N 2 1 354.539 0.829 20 0 FCADMP CCOC(=O)CN1CCC([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001254410770 857970683 /nfs/dbraw/zinc/97/06/83/857970683.db2.gz CVILMDKBSRBJSO-UHFFFAOYSA-N 2 1 354.495 0.110 20 0 FCADMP C[N@H+]1CCC[C@@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001254519174 857977178 /nfs/dbraw/zinc/97/71/78/857977178.db2.gz HUAXIDACKLJCHH-CQSZACIVSA-N 2 1 355.508 0.622 20 0 FCADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001279616729 862982467 /nfs/dbraw/zinc/98/24/67/862982467.db2.gz PLEIDWIVFPSDPW-IRXDYDNUSA-N 2 1 358.552 0.368 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076049 858052804 /nfs/dbraw/zinc/05/28/04/858052804.db2.gz GNPAYZUSSHKRQO-BEFAXECRSA-N 2 1 351.491 0.666 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076049 858052815 /nfs/dbraw/zinc/05/28/15/858052815.db2.gz GNPAYZUSSHKRQO-BEFAXECRSA-N 2 1 351.491 0.666 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC3(C2)CCC[N@@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001279615556 862980505 /nfs/dbraw/zinc/98/05/05/862980505.db2.gz UAVYHKCNTYIVRT-UHFFFAOYSA-N 2 1 367.519 0.506 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC001257150977 858121774 /nfs/dbraw/zinc/12/17/74/858121774.db2.gz OSCQXFHHZDXKHA-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001279628214 862986684 /nfs/dbraw/zinc/98/66/84/862986684.db2.gz LFFVOOZFSSTQAT-CALCHBBNSA-N 2 1 358.552 0.778 20 0 FCADMP CCOC(=O)CC1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC1 ZINC001258025557 858174502 /nfs/dbraw/zinc/17/45/02/858174502.db2.gz ZBVFGTFRRFWLMH-RUXDESIVSA-N 2 1 356.467 0.893 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC001262064360 858769576 /nfs/dbraw/zinc/76/95/76/858769576.db2.gz YWMOSNFLDCMJQT-HUUCEWRRSA-N 2 1 356.511 0.483 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC001262064359 858769617 /nfs/dbraw/zinc/76/96/17/858769617.db2.gz YWMOSNFLDCMJQT-GJZGRUSLSA-N 2 1 356.511 0.483 20 0 FCADMP CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001262194815 858815659 /nfs/dbraw/zinc/81/56/59/858815659.db2.gz DNUFFFKYEPDAFM-DLOVCJGASA-N 2 1 359.414 0.125 20 0 FCADMP COC[C@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001264025674 859281409 /nfs/dbraw/zinc/28/14/09/859281409.db2.gz SCRLDGVMIXQYKO-OUCADQQQSA-N 2 1 351.451 0.263 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001264564054 859386704 /nfs/dbraw/zinc/38/67/04/859386704.db2.gz CWJYMOOBYDOLQF-KGLIPLIRSA-N 2 1 355.483 0.130 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655900 859417039 /nfs/dbraw/zinc/41/70/39/859417039.db2.gz RVMGMFWVTXFHQP-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655900 859417033 /nfs/dbraw/zinc/41/70/33/859417033.db2.gz RVMGMFWVTXFHQP-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655900 859417046 /nfs/dbraw/zinc/41/70/46/859417046.db2.gz RVMGMFWVTXFHQP-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267195467 859499578 /nfs/dbraw/zinc/49/95/78/859499578.db2.gz AYZXHSMBGCLYKD-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267195467 859499582 /nfs/dbraw/zinc/49/95/82/859499582.db2.gz AYZXHSMBGCLYKD-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267195467 859499586 /nfs/dbraw/zinc/49/95/86/859499586.db2.gz AYZXHSMBGCLYKD-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267195467 859499602 /nfs/dbraw/zinc/49/96/02/859499602.db2.gz AYZXHSMBGCLYKD-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001267599417 859510898 /nfs/dbraw/zinc/51/08/98/859510898.db2.gz OIXFBXOLWJACNS-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001267599417 859510903 /nfs/dbraw/zinc/51/09/03/859510903.db2.gz OIXFBXOLWJACNS-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001267599417 859510908 /nfs/dbraw/zinc/51/09/08/859510908.db2.gz OIXFBXOLWJACNS-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001267599417 859510913 /nfs/dbraw/zinc/51/09/13/859510913.db2.gz OIXFBXOLWJACNS-GDBMZVCRSA-N 2 1 359.536 0.542 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2CC1 ZINC001272746232 860244699 /nfs/dbraw/zinc/24/46/99/860244699.db2.gz XDVWLEWDWTUCDV-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2CC1 ZINC001272746232 860244712 /nfs/dbraw/zinc/24/47/12/860244712.db2.gz XDVWLEWDWTUCDV-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2CC1 ZINC001272746232 860244720 /nfs/dbraw/zinc/24/47/20/860244720.db2.gz XDVWLEWDWTUCDV-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC[N@@H+](C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001273331788 860455487 /nfs/dbraw/zinc/45/54/87/860455487.db2.gz BLZIRPIHIHSXSZ-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001273511918 860514214 /nfs/dbraw/zinc/51/42/14/860514214.db2.gz NIZUYAYLZNKJJY-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001273511918 860514226 /nfs/dbraw/zinc/51/42/26/860514226.db2.gz NIZUYAYLZNKJJY-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001273511918 860514237 /nfs/dbraw/zinc/51/42/37/860514237.db2.gz NIZUYAYLZNKJJY-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](C)C1)C2 ZINC001273834946 860614200 /nfs/dbraw/zinc/61/42/00/860614200.db2.gz JHEZSBDNBAWQDW-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001273834946 860614204 /nfs/dbraw/zinc/61/42/04/860614204.db2.gz JHEZSBDNBAWQDW-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273834946 860614207 /nfs/dbraw/zinc/61/42/07/860614207.db2.gz JHEZSBDNBAWQDW-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275171054 860977484 /nfs/dbraw/zinc/97/74/84/860977484.db2.gz CKBFBQPJRDHAJR-OAHLLOKOSA-N 2 1 363.531 0.732 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171054 860977501 /nfs/dbraw/zinc/97/75/01/860977501.db2.gz CKBFBQPJRDHAJR-OAHLLOKOSA-N 2 1 363.531 0.732 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171054 860977513 /nfs/dbraw/zinc/97/75/13/860977513.db2.gz CKBFBQPJRDHAJR-OAHLLOKOSA-N 2 1 363.531 0.732 20 0 FCADMP CN(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275176834 860979259 /nfs/dbraw/zinc/97/92/59/860979259.db2.gz LPYYOHSMBPWHHY-MJGOQNOKSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001275176834 860979268 /nfs/dbraw/zinc/97/92/68/860979268.db2.gz LPYYOHSMBPWHHY-MJGOQNOKSA-N 2 1 351.539 0.108 20 0 FCADMP CCc1[nH]c(CN2C[C@@]3(F)C(=O)N(CC[NH+](C)C)C[C@@]3(F)C2)c(C)[nH+]1 ZINC001275182840 860983179 /nfs/dbraw/zinc/98/31/79/860983179.db2.gz JKVGKHIOKSUYGL-DLBZAZTESA-N 2 1 355.433 0.917 20 0 FCADMP O=C1C[C@]2(CN1C1COC1)COCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343191 861040057 /nfs/dbraw/zinc/04/00/57/861040057.db2.gz KKEMTDZWALMNSQ-IBGZPJMESA-N 2 1 351.491 0.812 20 0 FCADMP O=C1C[C@]2(CN1C1COC1)COCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343191 861040075 /nfs/dbraw/zinc/04/00/75/861040075.db2.gz KKEMTDZWALMNSQ-IBGZPJMESA-N 2 1 351.491 0.812 20 0 FCADMP CC(C)OC(=O)CN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275556452 861128045 /nfs/dbraw/zinc/12/80/45/861128045.db2.gz LAUAFCJUNILIBK-UHFFFAOYSA-N 2 1 353.463 0.193 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736122 861178636 /nfs/dbraw/zinc/17/86/36/861178636.db2.gz BHELYHMTQNLNQO-KSSFIOAISA-N 2 1 353.463 0.241 20 0 FCADMP CC(C)(C)C(=O)CN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737658 861180752 /nfs/dbraw/zinc/18/07/52/861180752.db2.gz NEBRUZPBXIHJMZ-IBGZPJMESA-N 2 1 351.491 0.905 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O)OC ZINC001275737632 861180781 /nfs/dbraw/zinc/18/07/81/861180781.db2.gz MQTBXYQGLBTOOT-GOSISDBHSA-N 2 1 353.463 0.446 20 0 FCADMP CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CC[NH+](C)CC1 ZINC001275742084 861183925 /nfs/dbraw/zinc/18/39/25/861183925.db2.gz AMEFZZNMCRVPRK-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743684 861187728 /nfs/dbraw/zinc/18/77/28/861187728.db2.gz URFQLAUOXCTKLS-DNVCBOLYSA-N 2 1 351.491 0.999 20 0 FCADMP CC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743686 861187799 /nfs/dbraw/zinc/18/77/99/861187799.db2.gz URFQLAUOXCTKLS-KXBFYZLASA-N 2 1 351.491 0.999 20 0 FCADMP CC(=O)[C@@H](C)N1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743683 861187812 /nfs/dbraw/zinc/18/78/12/861187812.db2.gz URFQLAUOXCTKLS-BEFAXECRSA-N 2 1 351.491 0.999 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026658 863198828 /nfs/dbraw/zinc/19/88/28/863198828.db2.gz WFBKWDXFMMPBMW-MPTYRVRUSA-N 2 1 351.491 0.964 20 0 FCADMP COCCOC[N@H+]1CCCC2(CCN([C@@H](COC)C(=O)OC)CC2)C1 ZINC001280052298 863221043 /nfs/dbraw/zinc/22/10/43/863221043.db2.gz IGIKULRFPALWDK-INIZCTEOSA-N 2 1 358.479 0.973 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](CC(=O)C(C)(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280143542 863292946 /nfs/dbraw/zinc/29/29/46/863292946.db2.gz SPSCXUUKQPYIAL-LJQANCHMSA-N 2 1 352.523 0.820 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC(=O)C(C)(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280143542 863292959 /nfs/dbraw/zinc/29/29/59/863292959.db2.gz SPSCXUUKQPYIAL-LJQANCHMSA-N 2 1 352.523 0.820 20 0 FCADMP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](COCCOC)C[C@H]12 ZINC001280152312 863298054 /nfs/dbraw/zinc/29/80/54/863298054.db2.gz RTFQQORSHFGTGR-HZPDHXFCSA-N 2 1 355.479 0.156 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280256192 863361937 /nfs/dbraw/zinc/36/19/37/863361937.db2.gz BOAIVKFMTXKQMN-DOTOQJQBSA-N 2 1 351.491 0.429 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257150 863364889 /nfs/dbraw/zinc/36/48/89/863364889.db2.gz GJWYJCLEYBDPTQ-BGTYHANMSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257150 863364898 /nfs/dbraw/zinc/36/48/98/863364898.db2.gz GJWYJCLEYBDPTQ-BGTYHANMSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257150 863364907 /nfs/dbraw/zinc/36/49/07/863364907.db2.gz GJWYJCLEYBDPTQ-BGTYHANMSA-N 2 1 351.491 0.570 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCS(C)(=O)=O)C1 ZINC001280257198 863364973 /nfs/dbraw/zinc/36/49/73/863364973.db2.gz HLJMUMMWPNRSBN-UHDSXZAQSA-N 2 1 371.547 0.493 20 0 FCADMP C[N@H+]1CCC[C@H](CN2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262373 863368804 /nfs/dbraw/zinc/36/88/04/863368804.db2.gz ZIPQXBBRZROALX-JKSUJKDBSA-N 2 1 371.547 0.591 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001282274672 864158763 /nfs/dbraw/zinc/15/87/63/864158763.db2.gz VUWBUYHVPDCCIA-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@@H]([N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOC)C1=O ZINC001284656954 864587123 /nfs/dbraw/zinc/58/71/23/864587123.db2.gz XQSNGFZBKGWDJP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@@H]([N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOC)C1=O ZINC001284656954 864587127 /nfs/dbraw/zinc/58/71/27/864587127.db2.gz XQSNGFZBKGWDJP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@@H]([NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOC)C1=O ZINC001284656954 864587131 /nfs/dbraw/zinc/58/71/31/864587131.db2.gz XQSNGFZBKGWDJP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@@H]([NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOC)C1=O ZINC001284656954 864587137 /nfs/dbraw/zinc/58/71/37/864587137.db2.gz XQSNGFZBKGWDJP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[NH+](C)CC(C)(C)C)C2)CC[N@H+]1C ZINC001284970668 864603559 /nfs/dbraw/zinc/60/35/59/864603559.db2.gz DRODFSHTBOLNKE-GDBMZVCRSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC[NH+]1C ZINC001284970668 864603563 /nfs/dbraw/zinc/60/35/63/864603563.db2.gz DRODFSHTBOLNKE-GDBMZVCRSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC[NH+]1C ZINC001284970668 864603569 /nfs/dbraw/zinc/60/35/69/864603569.db2.gz DRODFSHTBOLNKE-GDBMZVCRSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[NH+]3C)CCCC2)CC[N@H+]1C ZINC001285116128 864611031 /nfs/dbraw/zinc/61/10/31/864611031.db2.gz SDRYFLSITRAHIY-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)CC[NH+]1C ZINC001285116128 864611036 /nfs/dbraw/zinc/61/10/36/864611036.db2.gz SDRYFLSITRAHIY-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CCCC2)CC[NH+]1C ZINC001285116128 864611041 /nfs/dbraw/zinc/61/10/41/864611041.db2.gz SDRYFLSITRAHIY-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CCN(C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001350006321 866489102 /nfs/dbraw/zinc/48/91/02/866489102.db2.gz FFGVEUJMRROABJ-ZNMIVQPWSA-N 2 1 354.495 0.201 20 0 FCADMP CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001350006321 866489107 /nfs/dbraw/zinc/48/91/07/866489107.db2.gz FFGVEUJMRROABJ-ZNMIVQPWSA-N 2 1 354.495 0.201 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC001350014438 866490952 /nfs/dbraw/zinc/49/09/52/866490952.db2.gz NFBPYSQSVHVQIJ-BPUTZDHNSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803203 866694315 /nfs/dbraw/zinc/69/43/15/866694315.db2.gz KMQFCWARYJZERM-IAGOWNOFSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001350803203 866694321 /nfs/dbraw/zinc/69/43/21/866694321.db2.gz KMQFCWARYJZERM-IAGOWNOFSA-N 2 1 350.507 0.526 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)CC1 ZINC001352243182 867072818 /nfs/dbraw/zinc/07/28/18/867072818.db2.gz RXPLJMLOSMXBDM-UHFFFAOYSA-N 2 1 352.523 0.727 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001316597109 867361558 /nfs/dbraw/zinc/36/15/58/867361558.db2.gz MTHFLBDPGYYEEI-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001316707638 867414429 /nfs/dbraw/zinc/41/44/29/867414429.db2.gz CJESHXXAHBENIA-KGLIPLIRSA-N 2 1 355.483 0.001 20 0 FCADMP O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001353448250 867424835 /nfs/dbraw/zinc/42/48/35/867424835.db2.gz OPFSKICNBYDHMR-VSZNYVQBSA-N 2 1 351.491 0.857 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001316753715 867450763 /nfs/dbraw/zinc/45/07/63/867450763.db2.gz DUBAEKHEUMYRMG-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001316753715 867450772 /nfs/dbraw/zinc/45/07/72/867450772.db2.gz DUBAEKHEUMYRMG-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001316753715 867450777 /nfs/dbraw/zinc/45/07/77/867450777.db2.gz DUBAEKHEUMYRMG-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001356254196 867964115 /nfs/dbraw/zinc/96/41/15/867964115.db2.gz SDLHVCFPOQHIDS-DOMZBBRYSA-N 2 1 351.520 0.974 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001321821571 868626884 /nfs/dbraw/zinc/62/68/84/868626884.db2.gz NBTFDMBAYWWDRR-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001324881294 869702771 /nfs/dbraw/zinc/70/27/71/869702771.db2.gz HNAUSYLBZHIMBW-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001324881294 869702773 /nfs/dbraw/zinc/70/27/73/869702773.db2.gz HNAUSYLBZHIMBW-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001325515823 869919492 /nfs/dbraw/zinc/91/94/92/869919492.db2.gz LDGFIPUQOFVWQE-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001325515823 869919498 /nfs/dbraw/zinc/91/94/98/869919498.db2.gz LDGFIPUQOFVWQE-GDBMZVCRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1)CS(C)(=O)=O ZINC001325741119 870013713 /nfs/dbraw/zinc/01/37/13/870013713.db2.gz VNHLVSRXWVEPIH-OVYGPGRDSA-N 2 1 371.547 0.398 20 0 FCADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091756 870665507 /nfs/dbraw/zinc/66/55/07/870665507.db2.gz GUNCNDVNOTXCPL-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001327091756 870665515 /nfs/dbraw/zinc/66/55/15/870665515.db2.gz GUNCNDVNOTXCPL-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001344135507 870758504 /nfs/dbraw/zinc/75/85/04/870758504.db2.gz JVWFTAAIMWSEMQ-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001344214602 870771803 /nfs/dbraw/zinc/77/18/03/870771803.db2.gz YPVOECVBXWVKCG-LVQVYYBASA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001327498170 870908787 /nfs/dbraw/zinc/90/87/87/870908787.db2.gz ICEFIRVKVCXNAB-ZIAGYGMSSA-N 2 1 363.428 0.702 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001327619557 870975725 /nfs/dbraw/zinc/97/57/25/870975725.db2.gz PXJQDCIMONKAIL-HNNXBMFYSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[C@H](C)[NH3+] ZINC001329520462 872086985 /nfs/dbraw/zinc/08/69/85/872086985.db2.gz IKSIZFUBJJAAAN-CABCVRRESA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453706 873111843 /nfs/dbraw/zinc/11/18/43/873111843.db2.gz OBNMCHKVDZESDL-WMZOPIPTSA-N 2 1 353.511 0.163 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331834422 873266500 /nfs/dbraw/zinc/26/65/00/873266500.db2.gz UESDZJXAGAJNQD-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574859 873563712 /nfs/dbraw/zinc/56/37/12/873563712.db2.gz WYIWEPVZGWFKSX-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP COC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826148948 947477426 /nfs/dbraw/zinc/47/74/26/947477426.db2.gz VCMGMYWKLZXFHA-GOSISDBHSA-N 2 1 360.462 0.818 20 0 FCADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926126 948987320 /nfs/dbraw/zinc/98/73/20/948987320.db2.gz JACNLQSTEZYNPC-CYBMUJFWSA-N 2 1 357.462 0.945 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926122 948987968 /nfs/dbraw/zinc/98/79/68/948987968.db2.gz IWXTVXFXFWGRGU-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263745 949406301 /nfs/dbraw/zinc/40/63/01/949406301.db2.gz JEPGRKLZQVGFRY-CXAGYDPISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263748 949407846 /nfs/dbraw/zinc/40/78/46/949407846.db2.gz JEPGRKLZQVGFRY-GUYCJALGSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575263750 949408738 /nfs/dbraw/zinc/40/87/38/949408738.db2.gz JEPGRKLZQVGFRY-SUMWQHHRSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707656 949472139 /nfs/dbraw/zinc/47/21/39/949472139.db2.gz PRLZGVPRNIBQAA-WCQYABFASA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576190902 950176367 /nfs/dbraw/zinc/17/63/67/950176367.db2.gz CKAAUOKGFGTXDS-OLZOCXBDSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576190901 950176537 /nfs/dbraw/zinc/17/65/37/950176537.db2.gz CKAAUOKGFGTXDS-CHWSQXEVSA-N 2 1 358.450 0.284 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974258 950405729 /nfs/dbraw/zinc/40/57/29/950405729.db2.gz LOOPZZOJRRXYOO-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974258 950405742 /nfs/dbraw/zinc/40/57/42/950405742.db2.gz LOOPZZOJRRXYOO-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001570974258 950405757 /nfs/dbraw/zinc/40/57/57/950405757.db2.gz LOOPZZOJRRXYOO-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203264 950440988 /nfs/dbraw/zinc/44/09/88/950440988.db2.gz FXNOAAJPGOXJNF-HSBZDZAISA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208706 950613716 /nfs/dbraw/zinc/61/37/16/950613716.db2.gz TZKCEKGVDRUELL-MGPQQGTHSA-N 2 1 370.461 0.332 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981807 950617820 /nfs/dbraw/zinc/61/78/20/950617820.db2.gz VPHCKJJRRKJTMF-KOHJWAIASA-N 2 1 356.434 0.179 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214272 950665050 /nfs/dbraw/zinc/66/50/50/950665050.db2.gz OEQZMADJEGBYRZ-RWMBFGLXSA-N 2 1 356.434 0.085 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001570983859 950694518 /nfs/dbraw/zinc/69/45/18/950694518.db2.gz URBJYHXKAUEPGW-TZMCWYRMSA-N 2 1 356.434 0.359 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571004842 951159300 /nfs/dbraw/zinc/15/93/00/951159300.db2.gz SAJLZBUQSLRUHQ-NWDGAFQWSA-N 2 1 361.475 0.570 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092030 951788719 /nfs/dbraw/zinc/78/87/19/951788719.db2.gz YGGLJMCHSCJOBA-XJKSGUPXSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092030 951788724 /nfs/dbraw/zinc/78/87/24/951788724.db2.gz YGGLJMCHSCJOBA-XJKSGUPXSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113768 951945266 /nfs/dbraw/zinc/94/52/66/951945266.db2.gz FXCYNMVULDIFAO-HIFRSBDPSA-N 2 1 357.462 0.660 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113963 951950350 /nfs/dbraw/zinc/95/03/50/951950350.db2.gz JELWIVYTQCTURW-CZUORRHYSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113963 951950355 /nfs/dbraw/zinc/95/03/55/951950355.db2.gz JELWIVYTQCTURW-CZUORRHYSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062713 951957428 /nfs/dbraw/zinc/95/74/28/951957428.db2.gz ANAIIUXOPHLTIG-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571062695 951957610 /nfs/dbraw/zinc/95/76/10/951957610.db2.gz AADPTJWBEUMQSD-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063388 951965884 /nfs/dbraw/zinc/96/58/84/951965884.db2.gz LOFPRACHNKMFRS-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063388 951965891 /nfs/dbraw/zinc/96/58/91/951965891.db2.gz LOFPRACHNKMFRS-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571063388 951965898 /nfs/dbraw/zinc/96/58/98/951965898.db2.gz LOFPRACHNKMFRS-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078903 952136357 /nfs/dbraw/zinc/13/63/57/952136357.db2.gz XKIBFYDNTCFGCC-VHDGCEQUSA-N 2 1 370.461 0.748 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575147784 952200954 /nfs/dbraw/zinc/20/09/54/952200954.db2.gz WAFLJENLOXSBIX-ZIAGYGMSSA-N 2 1 372.477 0.817 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CC1 ZINC000292955637 214134114 /nfs/dbraw/zinc/13/41/14/214134114.db2.gz KXOYDOQHKOAZEB-SFHVURJKSA-N 2 1 358.486 0.584 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CC1 ZINC000292955637 214134118 /nfs/dbraw/zinc/13/41/18/214134118.db2.gz KXOYDOQHKOAZEB-SFHVURJKSA-N 2 1 358.486 0.584 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C[NH+](C)C ZINC000293185639 214153767 /nfs/dbraw/zinc/15/37/67/214153767.db2.gz NHCYJSSRNDAGQO-ZDUSSCGKSA-N 2 1 363.462 0.439 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000294076666 214221966 /nfs/dbraw/zinc/22/19/66/214221966.db2.gz LPSSXNIDYWIFFY-UHFFFAOYSA-N 2 1 373.457 0.933 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000297358314 214394626 /nfs/dbraw/zinc/39/46/26/214394626.db2.gz KMVIDTGUVQIMQI-CQSZACIVSA-N 2 1 366.466 0.546 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923266 529801043 /nfs/dbraw/zinc/80/10/43/529801043.db2.gz BKCCZNFGPVMMOX-FXAWDEMLSA-N 2 1 362.518 0.731 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410557890 529886411 /nfs/dbraw/zinc/88/64/11/529886411.db2.gz OZVHWURLDQMRPL-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000265360010 210107012 /nfs/dbraw/zinc/10/70/12/210107012.db2.gz DPULEGGURDAOMJ-KRWDZBQOSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000265360010 210107015 /nfs/dbraw/zinc/10/70/15/210107015.db2.gz DPULEGGURDAOMJ-KRWDZBQOSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000265352966 210104367 /nfs/dbraw/zinc/10/43/67/210104367.db2.gz BUZMYXNOAQPEDB-INIZCTEOSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000265352966 210104370 /nfs/dbraw/zinc/10/43/70/210104370.db2.gz BUZMYXNOAQPEDB-INIZCTEOSA-N 2 1 360.506 0.986 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCCC1 ZINC000331480410 215003619 /nfs/dbraw/zinc/00/36/19/215003619.db2.gz HWOWFMBVXKBNQL-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000331624100 215025274 /nfs/dbraw/zinc/02/52/74/215025274.db2.gz GAHUFNVIVLTCKM-PBHICJAKSA-N 2 1 354.520 0.237 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000331624100 215025276 /nfs/dbraw/zinc/02/52/76/215025276.db2.gz GAHUFNVIVLTCKM-PBHICJAKSA-N 2 1 354.520 0.237 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000331640910 215026481 /nfs/dbraw/zinc/02/64/81/215026481.db2.gz UPRWTRRQZGCXHW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000331640910 215026483 /nfs/dbraw/zinc/02/64/83/215026483.db2.gz UPRWTRRQZGCXHW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331640910 215026485 /nfs/dbraw/zinc/02/64/85/215026485.db2.gz UPRWTRRQZGCXHW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331640910 215026486 /nfs/dbraw/zinc/02/64/86/215026486.db2.gz UPRWTRRQZGCXHW-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000331728348 215039646 /nfs/dbraw/zinc/03/96/46/215039646.db2.gz ZHRPEBCTMJGRCO-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000331728348 215039648 /nfs/dbraw/zinc/03/96/48/215039648.db2.gz ZHRPEBCTMJGRCO-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000331728348 215039654 /nfs/dbraw/zinc/03/96/54/215039654.db2.gz ZHRPEBCTMJGRCO-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000332134079 215099436 /nfs/dbraw/zinc/09/94/36/215099436.db2.gz ITLQRZOZVXLFNJ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000332134079 215099439 /nfs/dbraw/zinc/09/94/39/215099439.db2.gz ITLQRZOZVXLFNJ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000332134079 215099441 /nfs/dbraw/zinc/09/94/41/215099441.db2.gz ITLQRZOZVXLFNJ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332292369 215123374 /nfs/dbraw/zinc/12/33/74/215123374.db2.gz CTDZCJOOOLWGDD-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1[NH3+] ZINC000332296593 215124723 /nfs/dbraw/zinc/12/47/23/215124723.db2.gz OWEBVGZEHRPWDE-DOTOQJQBSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1[NH3+] ZINC000332296593 215124727 /nfs/dbraw/zinc/12/47/27/215124727.db2.gz OWEBVGZEHRPWDE-DOTOQJQBSA-N 2 1 358.486 0.915 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)[N@H+](C)C1 ZINC000332305390 215126183 /nfs/dbraw/zinc/12/61/83/215126183.db2.gz RFLOTQZXCGFHLQ-XWSJACJDSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)[N@@H+](C)C1 ZINC000332305390 215126186 /nfs/dbraw/zinc/12/61/86/215126186.db2.gz RFLOTQZXCGFHLQ-XWSJACJDSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[NH+](C)C1 ZINC000332305390 215126190 /nfs/dbraw/zinc/12/61/90/215126190.db2.gz RFLOTQZXCGFHLQ-XWSJACJDSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[NH+](C)C1 ZINC000332305390 215126192 /nfs/dbraw/zinc/12/61/92/215126192.db2.gz RFLOTQZXCGFHLQ-XWSJACJDSA-N 2 1 361.486 0.705 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000332345565 215134286 /nfs/dbraw/zinc/13/42/86/215134286.db2.gz YCGXRHPOCYIJQK-NRSFXHEJSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C[C@H]1C ZINC000332436930 215151679 /nfs/dbraw/zinc/15/16/79/215151679.db2.gz AVXGOECPAOWGMM-VNHYZAJKSA-N 2 1 359.474 0.777 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C[C@H]1C ZINC000332436930 215151681 /nfs/dbraw/zinc/15/16/81/215151681.db2.gz AVXGOECPAOWGMM-VNHYZAJKSA-N 2 1 359.474 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000332531086 215171192 /nfs/dbraw/zinc/17/11/92/215171192.db2.gz QHDFXGITEZGWLD-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000332629127 215193490 /nfs/dbraw/zinc/19/34/90/215193490.db2.gz DGRDSNAZEOONST-CIRFHOKZSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000332629127 215193493 /nfs/dbraw/zinc/19/34/93/215193493.db2.gz DGRDSNAZEOONST-CIRFHOKZSA-N 2 1 358.486 0.881 20 0 FCADMP Cn1cc([C@H]2[C@H](C[N@H+](C)CCN3CCCS3(=O)=O)CCCN2C)cn1 ZINC000332986871 215219908 /nfs/dbraw/zinc/21/99/08/215219908.db2.gz ADGBNRMSXRWLQG-DOTOQJQBSA-N 2 1 369.535 0.770 20 0 FCADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCN3CCCS3(=O)=O)CCCN2C)cn1 ZINC000332986871 215219911 /nfs/dbraw/zinc/21/99/11/215219911.db2.gz ADGBNRMSXRWLQG-DOTOQJQBSA-N 2 1 369.535 0.770 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000333007074 215223188 /nfs/dbraw/zinc/22/31/88/215223188.db2.gz AHQAIBFPHZHQQJ-DLBZAZTESA-N 2 1 369.554 0.499 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000333119849 215237818 /nfs/dbraw/zinc/23/78/18/215237818.db2.gz UTKPZXWYTUWLEK-KRWDZBQOSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000333125630 215239429 /nfs/dbraw/zinc/23/94/29/215239429.db2.gz CVNWGEFSPXPLRG-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333125630 215239432 /nfs/dbraw/zinc/23/94/32/215239432.db2.gz CVNWGEFSPXPLRG-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333125630 215239435 /nfs/dbraw/zinc/23/94/35/215239435.db2.gz CVNWGEFSPXPLRG-INIZCTEOSA-N 2 1 369.554 0.499 20 0 FCADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333367411 215270998 /nfs/dbraw/zinc/27/09/98/215270998.db2.gz DYATUKKFYKEPRT-GPANFISMSA-N 2 1 361.494 0.149 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000333373718 215272133 /nfs/dbraw/zinc/27/21/33/215272133.db2.gz MVWYVOQDUUMUPG-BBWFWOEESA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000333373718 215272137 /nfs/dbraw/zinc/27/21/37/215272137.db2.gz MVWYVOQDUUMUPG-BBWFWOEESA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501140 215290077 /nfs/dbraw/zinc/29/00/77/215290077.db2.gz FLFOUBPFLITMLL-HZSPNIEDSA-N 2 1 363.428 0.701 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1 ZINC000333637553 215303049 /nfs/dbraw/zinc/30/30/49/215303049.db2.gz WTEKLMDDDZPWDT-DFBGVHRSSA-N 2 1 367.396 0.986 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1 ZINC000333637553 215303052 /nfs/dbraw/zinc/30/30/52/215303052.db2.gz WTEKLMDDDZPWDT-DFBGVHRSSA-N 2 1 367.396 0.986 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000333659229 215305845 /nfs/dbraw/zinc/30/58/45/215305845.db2.gz LHUZSLPCQZHNGR-KZNAEPCWSA-N 2 1 367.538 0.693 20 0 FCADMP CC(C)(CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000333659522 215306016 /nfs/dbraw/zinc/30/60/16/215306016.db2.gz WUPZEHLRPRQWGC-MRXNPFEDSA-N 2 1 365.522 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000333686008 215309018 /nfs/dbraw/zinc/30/90/18/215309018.db2.gz PGMYPCRIQYIAAV-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333736717 215314889 /nfs/dbraw/zinc/31/48/89/215314889.db2.gz QPTMPZXCGCIOGG-IAGOWNOFSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333770753 215317320 /nfs/dbraw/zinc/31/73/20/215317320.db2.gz FILVUIVMCATDMU-OAGGEKHMSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333770753 215317324 /nfs/dbraw/zinc/31/73/24/215317324.db2.gz FILVUIVMCATDMU-OAGGEKHMSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)C[C@H](C)O1 ZINC000333768814 215317790 /nfs/dbraw/zinc/31/77/90/215317790.db2.gz BRTHIMKPFAIHIW-JZXOWHBKSA-N 2 1 368.522 0.896 20 0 FCADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333790305 215319787 /nfs/dbraw/zinc/31/97/87/215319787.db2.gz GBLPYGXEGOXFSX-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000333815065 215322218 /nfs/dbraw/zinc/32/22/18/215322218.db2.gz JXWWVZZFZVEYBP-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000333815065 215322220 /nfs/dbraw/zinc/32/22/20/215322220.db2.gz JXWWVZZFZVEYBP-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855637 215325610 /nfs/dbraw/zinc/32/56/10/215325610.db2.gz QVWONLPGBIOODP-IRXDYDNUSA-N 2 1 365.522 0.842 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H](C)[N@@H+]1C ZINC000333861088 215325906 /nfs/dbraw/zinc/32/59/06/215325906.db2.gz SBQUPSXXQDQPQK-CXUGXGMPSA-N 2 1 351.495 0.367 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CCN(C2CCC2)CC1 ZINC000333904567 215329201 /nfs/dbraw/zinc/32/92/01/215329201.db2.gz ULTFCSOUDFEBJK-UHFFFAOYSA-N 2 1 366.506 0.748 20 0 FCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333950677 215332828 /nfs/dbraw/zinc/33/28/28/215332828.db2.gz YJOUVAQMWIHEOQ-MRXNPFEDSA-N 2 1 363.531 0.795 20 0 FCADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333950677 215332831 /nfs/dbraw/zinc/33/28/31/215332831.db2.gz YJOUVAQMWIHEOQ-MRXNPFEDSA-N 2 1 363.531 0.795 20 0 FCADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333945756 215332899 /nfs/dbraw/zinc/33/28/99/215332899.db2.gz TYVKCGFHBOQLFX-KRWDZBQOSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000333977565 215334985 /nfs/dbraw/zinc/33/49/85/215334985.db2.gz ZGRWIRRZCHFGIZ-GOSISDBHSA-N 2 1 351.495 0.278 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000333977565 215334986 /nfs/dbraw/zinc/33/49/86/215334986.db2.gz ZGRWIRRZCHFGIZ-GOSISDBHSA-N 2 1 351.495 0.278 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000361155466 215381791 /nfs/dbraw/zinc/38/17/91/215381791.db2.gz WMJUOYSTSNRQEM-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP CN(CCN1CCN(Cc2ccccc2)CC1)CC(=O)N1CCNC1=O ZINC000285491491 213349962 /nfs/dbraw/zinc/34/99/62/213349962.db2.gz PJRYXJGXTGXKPO-UHFFFAOYSA-N 2 1 359.474 0.288 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000285187943 213299759 /nfs/dbraw/zinc/29/97/59/213299759.db2.gz QKLYLNWEMOTGFV-QGZVFWFLSA-N 2 1 364.490 0.408 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000285187940 213299596 /nfs/dbraw/zinc/29/95/96/213299596.db2.gz QKLYLNWEMOTGFV-KRWDZBQOSA-N 2 1 364.490 0.408 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666113 213194229 /nfs/dbraw/zinc/19/42/29/213194229.db2.gz UJWACGGDFHDJQA-HNAYVOBHSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666113 213194232 /nfs/dbraw/zinc/19/42/32/213194232.db2.gz UJWACGGDFHDJQA-HNAYVOBHSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284666113 213194233 /nfs/dbraw/zinc/19/42/33/213194233.db2.gz UJWACGGDFHDJQA-HNAYVOBHSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284666113 213194236 /nfs/dbraw/zinc/19/42/36/213194236.db2.gz UJWACGGDFHDJQA-HNAYVOBHSA-N 2 1 370.497 0.760 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000284625889 213183736 /nfs/dbraw/zinc/18/37/36/213183736.db2.gz YRWBBLYWQOJOQP-JKSUJKDBSA-N 2 1 362.474 0.943 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccco1 ZINC000284499441 213154985 /nfs/dbraw/zinc/15/49/85/213154985.db2.gz SBMODHLVUXOYCS-XHSDSOJGSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccco1 ZINC000284499441 213154987 /nfs/dbraw/zinc/15/49/87/213154987.db2.gz SBMODHLVUXOYCS-XHSDSOJGSA-N 2 1 362.474 0.941 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000284485136 213151614 /nfs/dbraw/zinc/15/16/14/213151614.db2.gz HORWYZAZCAGXGI-MRXNPFEDSA-N 2 1 370.497 0.928 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000284485136 213151617 /nfs/dbraw/zinc/15/16/17/213151617.db2.gz HORWYZAZCAGXGI-MRXNPFEDSA-N 2 1 370.497 0.928 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000284485136 213151618 /nfs/dbraw/zinc/15/16/18/213151618.db2.gz HORWYZAZCAGXGI-MRXNPFEDSA-N 2 1 370.497 0.928 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000284485136 213151621 /nfs/dbraw/zinc/15/16/21/213151621.db2.gz HORWYZAZCAGXGI-MRXNPFEDSA-N 2 1 370.497 0.928 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccco1 ZINC000284333377 213113095 /nfs/dbraw/zinc/11/30/95/213113095.db2.gz JXIDPWQSJCWCHB-CQSZACIVSA-N 2 1 350.463 0.989 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284311413 213108893 /nfs/dbraw/zinc/10/88/93/213108893.db2.gz ZHAHGHTYNMIOJF-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284289526 213105151 /nfs/dbraw/zinc/10/51/51/213105151.db2.gz HVHYIXFUSYLKGD-OAHLLOKOSA-N 2 1 350.463 0.799 20 0 FCADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893164 213029952 /nfs/dbraw/zinc/02/99/52/213029952.db2.gz CUSOLYGSDPDXEI-QFBILLFUSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893164 213029953 /nfs/dbraw/zinc/02/99/53/213029953.db2.gz CUSOLYGSDPDXEI-QFBILLFUSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283893164 213029957 /nfs/dbraw/zinc/02/99/57/213029957.db2.gz CUSOLYGSDPDXEI-QFBILLFUSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283893164 213029960 /nfs/dbraw/zinc/02/99/60/213029960.db2.gz CUSOLYGSDPDXEI-QFBILLFUSA-N 2 1 372.513 0.960 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283867486 213023330 /nfs/dbraw/zinc/02/33/30/213023330.db2.gz BUCIDLICSOLBNP-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000283846547 213018543 /nfs/dbraw/zinc/01/85/43/213018543.db2.gz AXADSAKTBXRNLW-INIZCTEOSA-N 2 1 368.453 0.239 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000413137336 237286005 /nfs/dbraw/zinc/28/60/05/237286005.db2.gz LHYYNFOYSADNPA-UHFFFAOYSA-N 2 1 368.522 0.849 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367195812 216089641 /nfs/dbraw/zinc/08/96/41/216089641.db2.gz LAEZFIZRAMVMDY-AZUAARDMSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367195812 216089645 /nfs/dbraw/zinc/08/96/45/216089645.db2.gz LAEZFIZRAMVMDY-AZUAARDMSA-N 2 1 371.529 0.703 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367195232 216089824 /nfs/dbraw/zinc/08/98/24/216089824.db2.gz HUOVYOKJKQCTMD-IAGOWNOFSA-N 2 1 355.527 0.232 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367195234 216090522 /nfs/dbraw/zinc/09/05/22/216090522.db2.gz HUOVYOKJKQCTMD-SJORKVTESA-N 2 1 355.527 0.232 20 0 FCADMP CC(C)Nc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000367340009 216108836 /nfs/dbraw/zinc/10/88/36/216108836.db2.gz RZRPHZIFONWSCA-OAHLLOKOSA-N 2 1 363.510 0.395 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@H](C)C1 ZINC000367591518 216141515 /nfs/dbraw/zinc/14/15/15/216141515.db2.gz ZWGSFUMLKONGGB-XMTFNYHQSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@H](C)C1 ZINC000367591518 216141519 /nfs/dbraw/zinc/14/15/19/216141519.db2.gz ZWGSFUMLKONGGB-XMTFNYHQSA-N 2 1 368.522 0.726 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000246665709 209396600 /nfs/dbraw/zinc/39/66/00/209396600.db2.gz DVENYMKJUNRUNC-RDJZCZTQSA-N 2 1 361.490 0.754 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000246665709 209396606 /nfs/dbraw/zinc/39/66/06/209396606.db2.gz DVENYMKJUNRUNC-RDJZCZTQSA-N 2 1 361.490 0.754 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472498 209366820 /nfs/dbraw/zinc/36/68/20/209366820.db2.gz ZCMVQKSBOUPRRF-QZTJIDSGSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472498 209366823 /nfs/dbraw/zinc/36/68/23/209366823.db2.gz ZCMVQKSBOUPRRF-QZTJIDSGSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472498 209366816 /nfs/dbraw/zinc/36/68/16/209366816.db2.gz ZCMVQKSBOUPRRF-QZTJIDSGSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000245472498 209366818 /nfs/dbraw/zinc/36/68/18/209366818.db2.gz ZCMVQKSBOUPRRF-QZTJIDSGSA-N 2 1 374.485 0.331 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1C[NH2+]CCO1 ZINC000237904756 209360501 /nfs/dbraw/zinc/36/05/01/209360501.db2.gz SQSBQBDDFOCTJE-QGZVFWFLSA-N 2 1 366.893 0.957 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000237394580 209353091 /nfs/dbraw/zinc/35/30/91/209353091.db2.gz MCFRCHYIXVJESB-ZIAGYGMSSA-N 2 1 364.494 0.820 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048123 216339634 /nfs/dbraw/zinc/33/96/34/216339634.db2.gz SJSDQJMKIVYZHP-BZSNNMDCSA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048123 216339636 /nfs/dbraw/zinc/33/96/36/216339636.db2.gz SJSDQJMKIVYZHP-BZSNNMDCSA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048123 216339637 /nfs/dbraw/zinc/33/96/37/216339637.db2.gz SJSDQJMKIVYZHP-BZSNNMDCSA-N 2 1 367.538 0.421 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369344299 216387967 /nfs/dbraw/zinc/38/79/67/216387967.db2.gz PMOUNMZSFZRSKE-XMTFNYHQSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344299 216387970 /nfs/dbraw/zinc/38/79/70/216387970.db2.gz PMOUNMZSFZRSKE-XMTFNYHQSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344299 216387973 /nfs/dbraw/zinc/38/79/73/216387973.db2.gz PMOUNMZSFZRSKE-XMTFNYHQSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369344097 216388088 /nfs/dbraw/zinc/38/80/88/216388088.db2.gz PMOUNMZSFZRSKE-MHORFTMASA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344097 216388090 /nfs/dbraw/zinc/38/80/90/216388090.db2.gz PMOUNMZSFZRSKE-MHORFTMASA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344097 216388092 /nfs/dbraw/zinc/38/80/92/216388092.db2.gz PMOUNMZSFZRSKE-MHORFTMASA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396369 216395642 /nfs/dbraw/zinc/39/56/42/216395642.db2.gz XBYPAEXKVKXDTN-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369396369 216395647 /nfs/dbraw/zinc/39/56/47/216395647.db2.gz XBYPAEXKVKXDTN-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369396369 216395651 /nfs/dbraw/zinc/39/56/51/216395651.db2.gz XBYPAEXKVKXDTN-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396370 216395975 /nfs/dbraw/zinc/39/59/75/216395975.db2.gz XBYPAEXKVKXDTN-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369396370 216395978 /nfs/dbraw/zinc/39/59/78/216395978.db2.gz XBYPAEXKVKXDTN-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369396370 216395981 /nfs/dbraw/zinc/39/59/81/216395981.db2.gz XBYPAEXKVKXDTN-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402717 216396196 /nfs/dbraw/zinc/39/61/96/216396196.db2.gz RWEUJUOMCSQJAJ-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000369402717 216396199 /nfs/dbraw/zinc/39/61/99/216396199.db2.gz RWEUJUOMCSQJAJ-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000369402717 216396203 /nfs/dbraw/zinc/39/62/03/216396203.db2.gz RWEUJUOMCSQJAJ-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000188882153 209241459 /nfs/dbraw/zinc/24/14/59/209241459.db2.gz FZJNTNWEDJTKEC-CVEARBPZSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000188882153 209241461 /nfs/dbraw/zinc/24/14/61/209241461.db2.gz FZJNTNWEDJTKEC-CVEARBPZSA-N 2 1 356.511 0.441 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1(C)C ZINC000188122945 209223354 /nfs/dbraw/zinc/22/33/54/209223354.db2.gz QJDILPBXNNZDFA-VQIMIIECSA-N 2 1 354.539 0.909 20 0 FCADMP CCOC(=O)c1nn(C)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000186199556 209187493 /nfs/dbraw/zinc/18/74/93/209187493.db2.gz IWKRMZUNQVTVFG-UHFFFAOYSA-N 2 1 365.478 0.487 20 0 FCADMP C[C@H](C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707910 212076897 /nfs/dbraw/zinc/07/68/97/212076897.db2.gz NYOATOBVQAUOAV-ZIAGYGMSSA-N 2 1 364.519 0.529 20 0 FCADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435650 674115081 /nfs/dbraw/zinc/11/50/81/674115081.db2.gz BMCSVJAXONEILU-JXDIOVCFSA-N 2 1 353.488 0.850 20 0 FCADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435650 674115083 /nfs/dbraw/zinc/11/50/83/674115083.db2.gz BMCSVJAXONEILU-JXDIOVCFSA-N 2 1 353.488 0.850 20 0 FCADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435650 674115085 /nfs/dbraw/zinc/11/50/85/674115085.db2.gz BMCSVJAXONEILU-JXDIOVCFSA-N 2 1 353.488 0.850 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000373272058 217003044 /nfs/dbraw/zinc/00/30/44/217003044.db2.gz SINAYUGPAMVCGA-MRXNPFEDSA-N 2 1 368.522 0.992 20 0 FCADMP CCOC(=O)[C@]1(COC)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760191 245321229 /nfs/dbraw/zinc/32/12/29/245321229.db2.gz GONKCNDPZAWQNR-MAUKXSAKSA-N 2 1 355.479 0.475 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000414883118 245330413 /nfs/dbraw/zinc/33/04/13/245330413.db2.gz CPLVTPGPIFYSIK-MRXNPFEDSA-N 2 1 363.458 0.760 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000415152086 245353556 /nfs/dbraw/zinc/35/35/56/245353556.db2.gz BGDHUMIAKNFLNV-UONOGXRCSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000415152086 245353561 /nfs/dbraw/zinc/35/35/61/245353561.db2.gz BGDHUMIAKNFLNV-UONOGXRCSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415169532 245354494 /nfs/dbraw/zinc/35/44/94/245354494.db2.gz WDVZWRSVFAYIAJ-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415169532 245354501 /nfs/dbraw/zinc/35/45/01/245354501.db2.gz WDVZWRSVFAYIAJ-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415276301 245372658 /nfs/dbraw/zinc/37/26/58/245372658.db2.gz WTPUKKLRVDYCRC-GDBMZVCRSA-N 2 1 360.458 0.968 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415276305 245376373 /nfs/dbraw/zinc/37/63/73/245376373.db2.gz WTPUKKLRVDYCRC-HOCLYGCPSA-N 2 1 360.458 0.968 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415315155 245383406 /nfs/dbraw/zinc/38/34/06/245383406.db2.gz LGLJPDKVQNJRJV-QGZVFWFLSA-N 2 1 360.458 0.368 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000415328314 245388041 /nfs/dbraw/zinc/38/80/41/245388041.db2.gz LTCBMLZTAQRMEY-IJEWVQPXSA-N 2 1 360.458 0.712 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000415328314 245388049 /nfs/dbraw/zinc/38/80/49/245388049.db2.gz LTCBMLZTAQRMEY-IJEWVQPXSA-N 2 1 360.458 0.712 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374171842 217105506 /nfs/dbraw/zinc/10/55/06/217105506.db2.gz KHGRMCVCAFOQRF-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417363221 245686225 /nfs/dbraw/zinc/68/62/25/245686225.db2.gz AQOCGIXXVXVNEG-ZWKOTPCHSA-N 2 1 372.517 0.845 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCSCC1 ZINC000417611573 245712531 /nfs/dbraw/zinc/71/25/31/245712531.db2.gz PJFITIQCBSWGNU-AWEZNQCLSA-N 2 1 357.524 0.064 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418193982 245766977 /nfs/dbraw/zinc/76/69/77/245766977.db2.gz DAOADYWSUYMTLM-STQMWFEESA-N 2 1 353.433 0.850 20 0 FCADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000181036186 209107921 /nfs/dbraw/zinc/10/79/21/209107921.db2.gz HWQXXKZGTBALDZ-KRWDZBQOSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131312 246006034 /nfs/dbraw/zinc/00/60/34/246006034.db2.gz CKGGTTGAAGCUIN-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419154005 246020460 /nfs/dbraw/zinc/02/04/60/246020460.db2.gz QLJNAGMECHFZIZ-UHFFFAOYSA-N 2 1 374.457 0.787 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419156525 246022045 /nfs/dbraw/zinc/02/20/45/246022045.db2.gz VJTUCVXGZOLYEP-CJNGLKHVSA-N 2 1 364.515 0.930 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419137120 246010507 /nfs/dbraw/zinc/01/05/07/246010507.db2.gz QDQWGUQXZNPVIQ-KURKYZTESA-N 2 1 356.470 0.588 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)[nH+]1 ZINC000419137777 246011283 /nfs/dbraw/zinc/01/12/83/246011283.db2.gz RCCWIABHQFQLHF-HOCLYGCPSA-N 2 1 359.474 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419140786 246012398 /nfs/dbraw/zinc/01/23/98/246012398.db2.gz WCRYCHNVBNUPRX-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419150193 246016975 /nfs/dbraw/zinc/01/69/75/246016975.db2.gz KWJMXCVWINSCJA-ZACQAIPSSA-N 2 1 350.507 0.539 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165928 246028011 /nfs/dbraw/zinc/02/80/11/246028011.db2.gz GXEBZZSMOFNLON-MOPGFXCFSA-N 2 1 372.513 0.878 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166131 246028626 /nfs/dbraw/zinc/02/86/26/246028626.db2.gz ONPAHIFOOLZWJD-MSOLQXFVSA-N 2 1 374.485 0.247 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169102 246030068 /nfs/dbraw/zinc/03/00/68/246030068.db2.gz UFLORPHMBYKQIV-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419170573 246032546 /nfs/dbraw/zinc/03/25/46/246032546.db2.gz NWIZKTUCAFQYAG-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000419178763 246036799 /nfs/dbraw/zinc/03/67/99/246036799.db2.gz GYAVIOWZHDSXPQ-SJORKVTESA-N 2 1 366.506 0.476 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000419178762 246038319 /nfs/dbraw/zinc/03/83/19/246038319.db2.gz GYAVIOWZHDSXPQ-IRXDYDNUSA-N 2 1 366.506 0.476 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186910 246040838 /nfs/dbraw/zinc/04/08/38/246040838.db2.gz FIZCEWNCSNSRGG-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419209743 246057716 /nfs/dbraw/zinc/05/77/16/246057716.db2.gz PVZDWBQPJWNYTP-STQMWFEESA-N 2 1 364.412 0.445 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419209743 246057720 /nfs/dbraw/zinc/05/77/20/246057720.db2.gz PVZDWBQPJWNYTP-STQMWFEESA-N 2 1 364.412 0.445 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419219581 246062669 /nfs/dbraw/zinc/06/26/69/246062669.db2.gz UDHGZWNPTSTANJ-SOUVJXGZSA-N 2 1 362.474 0.375 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419223447 246062809 /nfs/dbraw/zinc/06/28/09/246062809.db2.gz CYOBNQLIYGSBQM-NJAFHUGGSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419225789 246063808 /nfs/dbraw/zinc/06/38/08/246063808.db2.gz CRCHNVRZGDMHBP-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419225789 246063811 /nfs/dbraw/zinc/06/38/11/246063811.db2.gz CRCHNVRZGDMHBP-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419224470 246064204 /nfs/dbraw/zinc/06/42/04/246064204.db2.gz FMXANBRUTBCMER-YOEHRIQHSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225458 246064897 /nfs/dbraw/zinc/06/48/97/246064897.db2.gz HBQNBHJRRBVQDW-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+]1CCc2sccc2C1 ZINC000419227281 246065966 /nfs/dbraw/zinc/06/59/66/246065966.db2.gz FHYTWJHXHWEBQF-GFCCVEGCSA-N 2 1 350.488 0.609 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+]1CCc2sccc2C1 ZINC000419227281 246065969 /nfs/dbraw/zinc/06/59/69/246065969.db2.gz FHYTWJHXHWEBQF-GFCCVEGCSA-N 2 1 350.488 0.609 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419198611 246049238 /nfs/dbraw/zinc/04/92/38/246049238.db2.gz CVTUQDYPTBOGSP-SJLPKXTDSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205943 246052099 /nfs/dbraw/zinc/05/20/99/246052099.db2.gz JXLVNHYPEXIWIG-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419208459 246054891 /nfs/dbraw/zinc/05/48/91/246054891.db2.gz AIPSGYBPUFKDKR-HZSPNIEDSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419208459 246054895 /nfs/dbraw/zinc/05/48/95/246054895.db2.gz AIPSGYBPUFKDKR-HZSPNIEDSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419230503 246068181 /nfs/dbraw/zinc/06/81/81/246068181.db2.gz IUYVPIULBGANPX-BXUZGUMPSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419230503 246068184 /nfs/dbraw/zinc/06/81/84/246068184.db2.gz IUYVPIULBGANPX-BXUZGUMPSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419228256 246068774 /nfs/dbraw/zinc/06/87/74/246068774.db2.gz GRGFCZHOYVTWJS-RKVPGOIHSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419228256 246068778 /nfs/dbraw/zinc/06/87/78/246068778.db2.gz GRGFCZHOYVTWJS-RKVPGOIHSA-N 2 1 358.486 0.806 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000419234053 246071986 /nfs/dbraw/zinc/07/19/86/246071986.db2.gz LSDOEGFHIFDDKA-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000419234053 246071991 /nfs/dbraw/zinc/07/19/91/246071991.db2.gz LSDOEGFHIFDDKA-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419231776 246072088 /nfs/dbraw/zinc/07/20/88/246072088.db2.gz KDQMEEWMEKQAIT-IIDMSEBBSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419231776 246072093 /nfs/dbraw/zinc/07/20/93/246072093.db2.gz KDQMEEWMEKQAIT-IIDMSEBBSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419241673 246072905 /nfs/dbraw/zinc/07/29/05/246072905.db2.gz RYJFIDOVWYOYQY-ZFWWWQNUSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419241673 246072911 /nfs/dbraw/zinc/07/29/11/246072911.db2.gz RYJFIDOVWYOYQY-ZFWWWQNUSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249291 246076617 /nfs/dbraw/zinc/07/66/17/246076617.db2.gz YNSQUESOTMLSGR-RKVPGOIHSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249291 246076624 /nfs/dbraw/zinc/07/66/24/246076624.db2.gz YNSQUESOTMLSGR-RKVPGOIHSA-N 2 1 358.486 0.793 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419246410 246076990 /nfs/dbraw/zinc/07/69/90/246076990.db2.gz WLOPYOZQCPLFRC-ZFWWWQNUSA-N 2 1 364.515 0.821 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419246410 246076993 /nfs/dbraw/zinc/07/69/93/246076993.db2.gz WLOPYOZQCPLFRC-ZFWWWQNUSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249971 246077046 /nfs/dbraw/zinc/07/70/46/246077046.db2.gz YSPHGXUHZSNSBZ-OLMNPRSZSA-N 2 1 356.470 0.227 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419249971 246077050 /nfs/dbraw/zinc/07/70/50/246077050.db2.gz YSPHGXUHZSNSBZ-OLMNPRSZSA-N 2 1 356.470 0.227 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C[NH+]1CCOCC1 ZINC000419305074 246092856 /nfs/dbraw/zinc/09/28/56/246092856.db2.gz WBADNNHDHAQZBF-MRXNPFEDSA-N 2 1 366.506 0.063 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)[nH+]c1 ZINC000419304628 246094036 /nfs/dbraw/zinc/09/40/36/246094036.db2.gz UXQGATLMKFXMEV-GDBMZVCRSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329509 246099894 /nfs/dbraw/zinc/09/98/94/246099894.db2.gz GPNPAAFLOHSXLU-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329485 246100757 /nfs/dbraw/zinc/10/07/57/246100757.db2.gz GJYVIBDYPFAKLL-RNJTYBCJSA-N 2 1 356.470 0.539 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419389396 246130440 /nfs/dbraw/zinc/13/04/40/246130440.db2.gz HHLNMQOCDXCHLL-DOTOQJQBSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419389396 246130442 /nfs/dbraw/zinc/13/04/42/246130442.db2.gz HHLNMQOCDXCHLL-DOTOQJQBSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H]1C[NH3+] ZINC000419391737 246129174 /nfs/dbraw/zinc/12/91/74/246129174.db2.gz KFYLSPNXNMYRBB-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000419416064 246150071 /nfs/dbraw/zinc/15/00/71/246150071.db2.gz VTZDJFOMUXXJRB-RHSMWYFYSA-N 2 1 352.504 0.973 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404534 246139271 /nfs/dbraw/zinc/13/92/71/246139271.db2.gz TXRJKYYWXLIKRN-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000419408078 246141867 /nfs/dbraw/zinc/14/18/67/246141867.db2.gz LKGJDTRJDJQOFH-VHDGCEQUSA-N 2 1 352.504 0.910 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409191 246142878 /nfs/dbraw/zinc/14/28/78/246142878.db2.gz DTRLBMYAWNUULY-USXIJHARSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409191 246142881 /nfs/dbraw/zinc/14/28/81/246142881.db2.gz DTRLBMYAWNUULY-USXIJHARSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408661 246142962 /nfs/dbraw/zinc/14/29/62/246142962.db2.gz CTQGWNOCCVOWEK-BZSNNMDCSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408661 246142970 /nfs/dbraw/zinc/14/29/70/246142970.db2.gz CTQGWNOCCVOWEK-BZSNNMDCSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000419420346 246154423 /nfs/dbraw/zinc/15/44/23/246154423.db2.gz ZYANQZBWKPZJJT-NEWSRXKRSA-N 2 1 370.497 0.760 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419425775 246156185 /nfs/dbraw/zinc/15/61/85/246156185.db2.gz PRWTXIQMTQSEET-UHFFFAOYSA-N 2 1 370.497 0.977 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419425343 246156369 /nfs/dbraw/zinc/15/63/69/246156369.db2.gz PJEAEAHTFBXBQB-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419425345 246157144 /nfs/dbraw/zinc/15/71/44/246157144.db2.gz PJEAEAHTFBXBQB-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430821 246158061 /nfs/dbraw/zinc/15/80/61/246158061.db2.gz WEEGFLNAKLGMAT-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430823 246159521 /nfs/dbraw/zinc/15/95/21/246159521.db2.gz WEEGFLNAKLGMAT-QAPCUYQASA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419504503 246182414 /nfs/dbraw/zinc/18/24/14/246182414.db2.gz GSYLDPSFLYTAJQ-IPMKNSEASA-N 2 1 370.497 0.693 20 0 FCADMP NCC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419505006 246183674 /nfs/dbraw/zinc/18/36/74/246183674.db2.gz IGSLMEPPROMQMP-CQSZACIVSA-N 2 1 354.401 0.335 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419505006 246183677 /nfs/dbraw/zinc/18/36/77/246183677.db2.gz IGSLMEPPROMQMP-CQSZACIVSA-N 2 1 354.401 0.335 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419505006 246183683 /nfs/dbraw/zinc/18/36/83/246183683.db2.gz IGSLMEPPROMQMP-CQSZACIVSA-N 2 1 354.401 0.335 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000419502696 246183705 /nfs/dbraw/zinc/18/37/05/246183705.db2.gz BONCTUAZKUDUQW-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513386 246187817 /nfs/dbraw/zinc/18/78/17/246187817.db2.gz MGFWLSZYEZCUGM-HOTGVXAUSA-N 2 1 362.474 0.957 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419525586 246192218 /nfs/dbraw/zinc/19/22/18/246192218.db2.gz ROJPYLWKDXMBQL-UKPHBRMFSA-N 2 1 364.465 0.925 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419530601 246192861 /nfs/dbraw/zinc/19/28/61/246192861.db2.gz JLEKPCSVOZQABT-DZJNRPSUSA-N 2 1 356.470 0.301 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419475542 246176673 /nfs/dbraw/zinc/17/66/73/246176673.db2.gz FAPAYYIOSXCPCD-BRWVUGGUSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475413 246176871 /nfs/dbraw/zinc/17/68/71/246176871.db2.gz DQQCXVQDZWPOED-BZUAXINKSA-N 2 1 368.522 0.844 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419475485 246177011 /nfs/dbraw/zinc/17/70/11/246177011.db2.gz DVFJTKCHJRRSRK-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419586244 246211687 /nfs/dbraw/zinc/21/16/87/246211687.db2.gz MPJWNYFFBADYCL-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000419586243 246211834 /nfs/dbraw/zinc/21/18/34/246211834.db2.gz MPJWNYFFBADYCL-HLLBOEOZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000419587734 246212785 /nfs/dbraw/zinc/21/27/85/246212785.db2.gz NSPOQMCPFXCYAC-XYPHTWIQSA-N 2 1 366.506 0.330 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000419528059 246193653 /nfs/dbraw/zinc/19/36/53/246193653.db2.gz VYEXRATZWJCTTF-SJORKVTESA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419534174 246194256 /nfs/dbraw/zinc/19/42/56/246194256.db2.gz PYAQFHZNDYJCCX-PLMTUMEDSA-N 2 1 370.497 0.835 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000419548492 246200066 /nfs/dbraw/zinc/20/00/66/246200066.db2.gz TVWNEWDDCFZFRD-KRWDZBQOSA-N 2 1 362.474 0.244 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419665154 246237474 /nfs/dbraw/zinc/23/74/74/246237474.db2.gz SXPWAVCIYHKDOC-LZLYRXPVSA-N 2 1 358.486 0.976 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419698933 246256317 /nfs/dbraw/zinc/25/63/17/246256317.db2.gz UQUPMBHWLRLCBS-AEFFLSMTSA-N 2 1 371.485 0.688 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419698933 246256320 /nfs/dbraw/zinc/25/63/20/246256320.db2.gz UQUPMBHWLRLCBS-AEFFLSMTSA-N 2 1 371.485 0.688 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000419703294 246259930 /nfs/dbraw/zinc/25/99/30/246259930.db2.gz DEBFMKGQMQUZAX-RANZSIQMSA-N 2 1 356.470 0.586 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419710876 246264321 /nfs/dbraw/zinc/26/43/21/246264321.db2.gz RFEFTKAGPJOMPJ-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000419717982 246267979 /nfs/dbraw/zinc/26/79/79/246267979.db2.gz ACWSEFNPTYLZRH-ARFHVFGLSA-N 2 1 352.479 0.084 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419755429 246282849 /nfs/dbraw/zinc/28/28/49/246282849.db2.gz DAQXJQHTUBQNFL-UHFFFAOYSA-N 2 1 352.454 0.817 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419754078 246284706 /nfs/dbraw/zinc/28/47/06/246284706.db2.gz AWLWBHSCWLEFHN-MRXNPFEDSA-N 2 1 350.438 0.584 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757886 246285598 /nfs/dbraw/zinc/28/55/98/246285598.db2.gz JFVMFMGIAQMSJU-UKRRQHHQSA-N 2 1 350.438 0.569 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755977 246285942 /nfs/dbraw/zinc/28/59/42/246285942.db2.gz ADRWVJJFQCIDCD-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000419758259 246286014 /nfs/dbraw/zinc/28/60/14/246286014.db2.gz JTDAMSFEGNFSMM-CJNGLKHVSA-N 2 1 350.438 0.569 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419761947 246289003 /nfs/dbraw/zinc/28/90/03/246289003.db2.gz QQJHBRKCUZQODF-KRWDZBQOSA-N 2 1 364.465 0.974 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])Cc1ccc(F)cc1 ZINC000419765336 246291847 /nfs/dbraw/zinc/29/18/47/246291847.db2.gz WZJGDWPUFUSJMS-MRXNPFEDSA-N 2 1 350.438 0.714 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419771521 246292062 /nfs/dbraw/zinc/29/20/62/246292062.db2.gz XSOHOMBHNVKKCX-ZWKOTPCHSA-N 2 1 358.486 0.867 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000419809115 246302963 /nfs/dbraw/zinc/30/29/63/246302963.db2.gz HJFMWYFYKHQYOY-LSDHHAIUSA-N 2 1 364.446 0.109 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419850380 246319931 /nfs/dbraw/zinc/31/99/31/246319931.db2.gz LHXBQARYLGKHHI-CVEARBPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419850380 246319934 /nfs/dbraw/zinc/31/99/34/246319934.db2.gz LHXBQARYLGKHHI-CVEARBPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419848807 246320820 /nfs/dbraw/zinc/32/08/20/246320820.db2.gz XDPBAOASIJIKKY-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419848807 246320823 /nfs/dbraw/zinc/32/08/23/246320823.db2.gz XDPBAOASIJIKKY-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419854409 246323508 /nfs/dbraw/zinc/32/35/08/246323508.db2.gz GIAPXGFHIPTGSI-NCOADZHNSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419853394 246324116 /nfs/dbraw/zinc/32/41/16/246324116.db2.gz SGDYLYUSPHVYGP-MRXNPFEDSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419859441 246328108 /nfs/dbraw/zinc/32/81/08/246328108.db2.gz ZAJJURDLBZRSSD-UHFFFAOYSA-N 2 1 364.515 0.693 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419890753 246353984 /nfs/dbraw/zinc/35/39/84/246353984.db2.gz MZWWZPODHHPWIP-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419890753 246353989 /nfs/dbraw/zinc/35/39/89/246353989.db2.gz MZWWZPODHHPWIP-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419892122 246354939 /nfs/dbraw/zinc/35/49/39/246354939.db2.gz NWMDINNXLZRMQL-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419900126 246359965 /nfs/dbraw/zinc/35/99/65/246359965.db2.gz QKECJIZRPXIMFI-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419900852 246360725 /nfs/dbraw/zinc/36/07/25/246360725.db2.gz RVCOJEKSZIJZRB-FGTMMUONSA-N 2 1 356.470 0.445 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419907414 246361882 /nfs/dbraw/zinc/36/18/82/246361882.db2.gz FRUOOSLNYWDAGH-CALCHBBNSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420297657 246540481 /nfs/dbraw/zinc/54/04/81/246540481.db2.gz RIZJEJKSBJNROO-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000423117686 246965545 /nfs/dbraw/zinc/96/55/45/246965545.db2.gz WSCHOEHNPPHUBQ-ZBFHGGJFSA-N 2 1 364.515 0.631 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423369891 247013190 /nfs/dbraw/zinc/01/31/90/247013190.db2.gz CKAFBIDEHCOKDU-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423369891 247013195 /nfs/dbraw/zinc/01/31/95/247013195.db2.gz CKAFBIDEHCOKDU-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423364151 247013969 /nfs/dbraw/zinc/01/39/69/247013969.db2.gz ATYVIUTYZOTETJ-SJLPKXTDSA-N 2 1 358.486 0.917 20 0 FCADMP CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@@H](C)[NH3+] ZINC000423390050 247017566 /nfs/dbraw/zinc/01/75/66/247017566.db2.gz VPGABISIYVGMHK-CZUORRHYSA-N 2 1 350.467 0.215 20 0 FCADMP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000423547871 247048174 /nfs/dbraw/zinc/04/81/74/247048174.db2.gz QKNUJEBZPCQLIA-QGZVFWFLSA-N 2 1 360.458 0.797 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423558479 247051783 /nfs/dbraw/zinc/05/17/83/247051783.db2.gz NSWYDWQAYNSRIF-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423569686 247057259 /nfs/dbraw/zinc/05/72/59/247057259.db2.gz SGYPVDJIRDFICM-ZBFHGGJFSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423442301 247028531 /nfs/dbraw/zinc/02/85/31/247028531.db2.gz JVBYFWIPFUYFNF-MRXNPFEDSA-N 2 1 370.538 0.635 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423483599 247035619 /nfs/dbraw/zinc/03/56/19/247035619.db2.gz XZZDBOPUMKMPAO-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000423483599 247035622 /nfs/dbraw/zinc/03/56/22/247035622.db2.gz XZZDBOPUMKMPAO-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501762 247036712 /nfs/dbraw/zinc/03/67/12/247036712.db2.gz DPOGBWXOVMRTIC-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501762 247036718 /nfs/dbraw/zinc/03/67/18/247036718.db2.gz DPOGBWXOVMRTIC-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501799 247036924 /nfs/dbraw/zinc/03/69/24/247036924.db2.gz DTUJPLFZWSKDJJ-ROUUACIJSA-N 2 1 374.485 0.296 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501799 247036932 /nfs/dbraw/zinc/03/69/32/247036932.db2.gz DTUJPLFZWSKDJJ-ROUUACIJSA-N 2 1 374.485 0.296 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423496902 247038050 /nfs/dbraw/zinc/03/80/50/247038050.db2.gz FUBDMSVYUDQTNJ-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC[N@@H+]1CCOC ZINC000423524728 247042657 /nfs/dbraw/zinc/04/26/57/247042657.db2.gz JZCSBXRGIOQLRK-OAHLLOKOSA-N 2 1 356.511 0.389 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC[N@H+]1CCOC ZINC000423524728 247042664 /nfs/dbraw/zinc/04/26/64/247042664.db2.gz JZCSBXRGIOQLRK-OAHLLOKOSA-N 2 1 356.511 0.389 20 0 FCADMP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000423673318 247105626 /nfs/dbraw/zinc/10/56/26/247105626.db2.gz OLXFAQKAGGLQMO-GOSISDBHSA-N 2 1 371.485 0.641 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000423681453 247107112 /nfs/dbraw/zinc/10/71/12/247107112.db2.gz NHRNUQFBURAMQU-GOEBONIOSA-N 2 1 361.490 0.930 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423621910 247080108 /nfs/dbraw/zinc/08/01/08/247080108.db2.gz LLCJSEWSSHLYHJ-HZPDHXFCSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423621910 247080113 /nfs/dbraw/zinc/08/01/13/247080113.db2.gz LLCJSEWSSHLYHJ-HZPDHXFCSA-N 2 1 354.495 0.286 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423648351 247093422 /nfs/dbraw/zinc/09/34/22/247093422.db2.gz ZSLZAOBYFKGWKX-UWJYYQICSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423653346 247094702 /nfs/dbraw/zinc/09/47/02/247094702.db2.gz OTFVLNUNIHWNKF-LSDHHAIUSA-N 2 1 350.463 0.756 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@H]21 ZINC000423666509 247101043 /nfs/dbraw/zinc/10/10/43/247101043.db2.gz MJAPGXPHTNAZCB-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771365 247139906 /nfs/dbraw/zinc/13/99/06/247139906.db2.gz FVZUSZWEJWFNQX-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423788625 247141743 /nfs/dbraw/zinc/14/17/43/247141743.db2.gz YALSVJSUDFFOHM-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP CC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423829561 247144747 /nfs/dbraw/zinc/14/47/47/247144747.db2.gz TXVONPXJKGGYCI-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1C ZINC000423895905 247148059 /nfs/dbraw/zinc/14/80/59/247148059.db2.gz NPTCXWYWYWOQJR-HNNXBMFYSA-N 2 1 363.462 0.058 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1C ZINC000423895905 247148063 /nfs/dbraw/zinc/14/80/63/247148063.db2.gz NPTCXWYWYWOQJR-HNNXBMFYSA-N 2 1 363.462 0.058 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H]1c1ccccc1 ZINC000423925395 247149847 /nfs/dbraw/zinc/14/98/47/247149847.db2.gz BCFYKCGBDOPNCP-BQFCYCMXSA-N 2 1 363.458 0.845 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H]1c1ccccc1 ZINC000423925395 247149851 /nfs/dbraw/zinc/14/98/51/247149851.db2.gz BCFYKCGBDOPNCP-BQFCYCMXSA-N 2 1 363.458 0.845 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc[nH+]1 ZINC000423923025 247151644 /nfs/dbraw/zinc/15/16/44/247151644.db2.gz KMNMGLPEIYSRFA-WZTLGTBRSA-N 2 1 362.453 0.575 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000423930737 247152544 /nfs/dbraw/zinc/15/25/44/247152544.db2.gz WQEYOGVJXULCRE-MJBXVCDLSA-N 2 1 350.442 0.718 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423703609 247116104 /nfs/dbraw/zinc/11/61/04/247116104.db2.gz CEUUPKHWTMRTLE-QZTJIDSGSA-N 2 1 358.486 0.645 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423713819 247119470 /nfs/dbraw/zinc/11/94/70/247119470.db2.gz WNJLFGWXNRQRMG-KURKYZTESA-N 2 1 356.470 0.527 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423718112 247124700 /nfs/dbraw/zinc/12/47/00/247124700.db2.gz BXUNYEDGRIWERW-IXDOHACOSA-N 2 1 362.449 0.631 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423730589 247130912 /nfs/dbraw/zinc/13/09/12/247130912.db2.gz LIVCPDJZLDTXJQ-ZBFHGGJFSA-N 2 1 350.463 0.756 20 0 FCADMP O=C(CCOC1C[NH2+]C1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423736654 247133695 /nfs/dbraw/zinc/13/36/95/247133695.db2.gz SRXDMPFIPCLNBV-UHFFFAOYSA-N 2 1 362.474 0.511 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282772 247195098 /nfs/dbraw/zinc/19/50/98/247195098.db2.gz AKEPIQNWZWISGH-CYBMUJFWSA-N 2 1 363.462 0.999 20 0 FCADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424295085 247195959 /nfs/dbraw/zinc/19/59/59/247195959.db2.gz QQDOATHSYSPGJK-ZDUSSCGKSA-N 2 1 366.487 0.737 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424491467 247238580 /nfs/dbraw/zinc/23/85/80/247238580.db2.gz DKVYUPCNNOEONY-DSLXNQLJSA-N 2 1 370.497 0.915 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424500728 247244082 /nfs/dbraw/zinc/24/40/82/247244082.db2.gz DDZIGKBCRMWVBJ-LSDHHAIUSA-N 2 1 361.490 0.934 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424518222 247249207 /nfs/dbraw/zinc/24/92/07/247249207.db2.gz HNWGYTJXOLYAFS-OKZBNKHCSA-N 2 1 356.470 0.573 20 0 FCADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526466 247252507 /nfs/dbraw/zinc/25/25/07/247252507.db2.gz CKIJZCXVGZZOHS-CABCVRRESA-N 2 1 363.462 0.056 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526466 247252512 /nfs/dbraw/zinc/25/25/12/247252512.db2.gz CKIJZCXVGZZOHS-CABCVRRESA-N 2 1 363.462 0.056 20 0 FCADMP c1cn([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@@H](n4ccnn4)C3)C2)nn1 ZINC000425500946 247346734 /nfs/dbraw/zinc/34/67/34/247346734.db2.gz DSELMAYSNOSXOW-QZTJIDSGSA-N 2 1 374.493 0.860 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433166942 247845470 /nfs/dbraw/zinc/84/54/70/247845470.db2.gz YVPOCJKUYCMSKT-UHFFFAOYSA-N 2 1 367.538 0.202 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438894927 248101378 /nfs/dbraw/zinc/10/13/78/248101378.db2.gz ORCKYUDBAACMDZ-INIZCTEOSA-N 2 1 357.458 0.318 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000439131706 248110951 /nfs/dbraw/zinc/11/09/51/248110951.db2.gz IHHBOCBJEKVNSV-NVXWUHKLSA-N 2 1 361.552 0.995 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000440940339 248223649 /nfs/dbraw/zinc/22/36/49/248223649.db2.gz GSEVVJJFERWREZ-RBSFLKMASA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000440940339 248223651 /nfs/dbraw/zinc/22/36/51/248223651.db2.gz GSEVVJJFERWREZ-RBSFLKMASA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000440940339 248223655 /nfs/dbraw/zinc/22/36/55/248223655.db2.gz GSEVVJJFERWREZ-RBSFLKMASA-N 2 1 351.495 0.498 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000442758038 248295499 /nfs/dbraw/zinc/29/54/99/248295499.db2.gz IFIAKYKAFUOXSJ-JSGCOSHPSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000442758038 248295501 /nfs/dbraw/zinc/29/55/01/248295501.db2.gz IFIAKYKAFUOXSJ-JSGCOSHPSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773676 248297042 /nfs/dbraw/zinc/29/70/42/248297042.db2.gz XUEOZAUXMXJTOZ-RFGFWPKPSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773676 248297043 /nfs/dbraw/zinc/29/70/43/248297043.db2.gz XUEOZAUXMXJTOZ-RFGFWPKPSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630464 248333608 /nfs/dbraw/zinc/33/36/08/248333608.db2.gz JXCCLMQOVTVXTC-DOTOQJQBSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444254986 248353938 /nfs/dbraw/zinc/35/39/38/248353938.db2.gz WMSWYCYXMDZLLK-KSZLIROESA-N 2 1 354.539 0.754 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000446368345 248387601 /nfs/dbraw/zinc/38/76/01/248387601.db2.gz DZQLBNWYBHEZFT-DOTOQJQBSA-N 2 1 353.438 0.960 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446363006 248387682 /nfs/dbraw/zinc/38/76/82/248387682.db2.gz JZLSTWDQYPXUAG-GPMSIDNRSA-N 2 1 351.491 0.842 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CCC1 ZINC000446619959 248392610 /nfs/dbraw/zinc/39/26/10/248392610.db2.gz LEUHEXKUTJGHLS-UHFFFAOYSA-N 2 1 355.527 0.160 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453641542 249349909 /nfs/dbraw/zinc/34/99/09/249349909.db2.gz IURJHXSXCOVBIE-QGZVFWFLSA-N 2 1 362.474 0.868 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000459872241 249768596 /nfs/dbraw/zinc/76/85/96/249768596.db2.gz TZUBRLOZVMJTMQ-UHFFFAOYSA-N 2 1 352.523 0.977 20 0 FCADMP C[NH+]1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000270973648 211310241 /nfs/dbraw/zinc/31/02/41/211310241.db2.gz KENYMQUONPNKIA-GJZGRUSLSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@H]1CNC(=O)Cc1occc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000270973648 211310244 /nfs/dbraw/zinc/31/02/44/211310244.db2.gz KENYMQUONPNKIA-GJZGRUSLSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@H]1CNC(=O)Cc1occc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000270973648 211310247 /nfs/dbraw/zinc/31/02/47/211310247.db2.gz KENYMQUONPNKIA-GJZGRUSLSA-N 2 1 362.474 0.857 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270806365 211272838 /nfs/dbraw/zinc/27/28/38/211272838.db2.gz XFBVXQATEHLXRH-MAUKXSAKSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270806365 211272842 /nfs/dbraw/zinc/27/28/42/211272842.db2.gz XFBVXQATEHLXRH-MAUKXSAKSA-N 2 1 373.501 0.898 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470738363 250058761 /nfs/dbraw/zinc/05/87/61/250058761.db2.gz UTAINTIACAFFHB-INIZCTEOSA-N 2 1 365.522 0.570 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470738363 250058764 /nfs/dbraw/zinc/05/87/64/250058764.db2.gz UTAINTIACAFFHB-INIZCTEOSA-N 2 1 365.522 0.570 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000471650803 250114285 /nfs/dbraw/zinc/11/42/85/250114285.db2.gz WYJQXIAMKMZPPQ-MSOLQXFVSA-N 2 1 364.490 0.499 20 0 FCADMP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cn1 ZINC000472668115 250171501 /nfs/dbraw/zinc/17/15/01/250171501.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 1 369.510 0.886 20 0 FCADMP CN(CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)[C@@H]1CCSC1 ZINC000472668115 250171505 /nfs/dbraw/zinc/17/15/05/250171505.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 1 369.510 0.886 20 0 FCADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561462 250236211 /nfs/dbraw/zinc/23/62/11/250236211.db2.gz MKDIXDITIIVJNL-HSALFYBXSA-N 2 1 354.498 0.967 20 0 FCADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561462 250236213 /nfs/dbraw/zinc/23/62/13/250236213.db2.gz MKDIXDITIIVJNL-HSALFYBXSA-N 2 1 354.498 0.967 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000480887372 250292040 /nfs/dbraw/zinc/29/20/40/250292040.db2.gz WDUYXZWMOBOEAC-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000480887372 250292044 /nfs/dbraw/zinc/29/20/44/250292044.db2.gz WDUYXZWMOBOEAC-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000480887372 250292048 /nfs/dbraw/zinc/29/20/48/250292048.db2.gz WDUYXZWMOBOEAC-HNNXBMFYSA-N 2 1 356.511 0.308 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)N1CC[NH+](C)CC1 ZINC000481018336 250309439 /nfs/dbraw/zinc/30/94/39/250309439.db2.gz DPZINDSRKNULCE-FUHWJXTLSA-N 2 1 371.595 0.995 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000481162266 250318996 /nfs/dbraw/zinc/31/89/96/250318996.db2.gz CCSWSPWIOMLSNF-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000481162266 250318999 /nfs/dbraw/zinc/31/89/99/250318999.db2.gz CCSWSPWIOMLSNF-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000481162266 250319002 /nfs/dbraw/zinc/31/90/02/250319002.db2.gz CCSWSPWIOMLSNF-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000269263481 210941037 /nfs/dbraw/zinc/94/10/37/210941037.db2.gz XKSZORJSNXESFA-DLBZAZTESA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000269263481 210941040 /nfs/dbraw/zinc/94/10/40/210941040.db2.gz XKSZORJSNXESFA-DLBZAZTESA-N 2 1 360.458 0.843 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413586415 532992011 /nfs/dbraw/zinc/99/20/11/532992011.db2.gz PQIPVEABMXICKT-CQSZACIVSA-N 2 1 372.535 0.560 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000413188902 532993897 /nfs/dbraw/zinc/99/38/97/532993897.db2.gz VJYSRQUSZSUPFV-HZPDHXFCSA-N 2 1 354.495 0.853 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000072983464 208046588 /nfs/dbraw/zinc/04/65/88/208046588.db2.gz DCHBDTIUQJYSNG-AWEZNQCLSA-N 2 1 356.430 0.924 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077569911 208073597 /nfs/dbraw/zinc/07/35/97/208073597.db2.gz NTBARGAOCPWCNF-MRXNPFEDSA-N 2 1 356.511 0.755 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000105137433 208193744 /nfs/dbraw/zinc/19/37/44/208193744.db2.gz RKXHZCDOVJHLKW-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000105326731 208196523 /nfs/dbraw/zinc/19/65/23/208196523.db2.gz QWYCHFSYJIXPNG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931873089 674149155 /nfs/dbraw/zinc/14/91/55/674149155.db2.gz UYPBRJSQFBVLJF-HNNXBMFYSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931873089 674149157 /nfs/dbraw/zinc/14/91/57/674149157.db2.gz UYPBRJSQFBVLJF-HNNXBMFYSA-N 2 1 350.438 0.536 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000119817868 208368995 /nfs/dbraw/zinc/36/89/95/208368995.db2.gz FWIZYXFUUIIVRU-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000119817868 208368997 /nfs/dbraw/zinc/36/89/97/208368997.db2.gz FWIZYXFUUIIVRU-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000119817868 208369003 /nfs/dbraw/zinc/36/90/03/208369003.db2.gz FWIZYXFUUIIVRU-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118108769 208349573 /nfs/dbraw/zinc/34/95/73/208349573.db2.gz DFOLAQSEVVHUPY-UHFFFAOYSA-N 2 1 361.490 0.440 20 0 FCADMP C[C@H]1OCC[C@H]1NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000121227944 208398268 /nfs/dbraw/zinc/39/82/68/208398268.db2.gz UXEKCGMGFCWOJR-GDBMZVCRSA-N 2 1 353.488 0.890 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NCC[NH+]1CCCCC1 ZINC000412315789 533072633 /nfs/dbraw/zinc/07/26/33/533072633.db2.gz CBOKXGMFSYCKDT-CABCVRRESA-N 2 1 356.536 0.531 20 0 FCADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000178672053 209059021 /nfs/dbraw/zinc/05/90/21/209059021.db2.gz GZGNMZOZCJKUQA-AWEZNQCLSA-N 2 1 368.503 0.409 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410441117 230080762 /nfs/dbraw/zinc/08/07/62/230080762.db2.gz XZYIXYOZFAHOFP-LPHOPBHVSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000410543638 230130796 /nfs/dbraw/zinc/13/07/96/230130796.db2.gz XWPQOXVWQIOHAQ-UHFFFAOYSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000410752322 230236051 /nfs/dbraw/zinc/23/60/51/230236051.db2.gz FHZXVYLPDCRUNY-IXDOHACOSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000410752322 230236054 /nfs/dbraw/zinc/23/60/54/230236054.db2.gz FHZXVYLPDCRUNY-IXDOHACOSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000410752322 230236058 /nfs/dbraw/zinc/23/60/58/230236058.db2.gz FHZXVYLPDCRUNY-IXDOHACOSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000410752322 230236063 /nfs/dbraw/zinc/23/60/63/230236063.db2.gz FHZXVYLPDCRUNY-IXDOHACOSA-N 2 1 368.522 0.233 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000932946920 674230063 /nfs/dbraw/zinc/23/00/63/674230063.db2.gz KKVMMPHMQFTEMY-KRWDZBQOSA-N 2 1 366.531 0.809 20 0 FCADMP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363633654 488866286 /nfs/dbraw/zinc/86/62/86/488866286.db2.gz HFDHXHHMODTHIE-OAHLLOKOSA-N 2 1 370.494 0.281 20 0 FCADMP C[C@]([NH3+])(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000278330297 488868844 /nfs/dbraw/zinc/86/88/44/488868844.db2.gz WDGHZLSDXUVROD-HXUWFJFHSA-N 2 1 368.485 0.979 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000562793808 491189790 /nfs/dbraw/zinc/18/97/90/491189790.db2.gz FARPGXRZWKUMJV-IEBWSBKVSA-N 2 1 374.533 0.400 20 0 FCADMP COc1cc2[nH+]c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc(N)c2cc1OC ZINC000364030055 488915920 /nfs/dbraw/zinc/91/59/20/488915920.db2.gz BOCAZDVEODBSLJ-NEPJUHHUSA-N 2 1 359.430 0.926 20 0 FCADMP COc1cc2[nH+]c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)nc(N)c2cc1OC ZINC000364030055 488915921 /nfs/dbraw/zinc/91/59/21/488915921.db2.gz BOCAZDVEODBSLJ-NEPJUHHUSA-N 2 1 359.430 0.926 20 0 FCADMP COc1cc2[nH+]c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc(N)c2cc1OC ZINC000364030061 488915930 /nfs/dbraw/zinc/91/59/30/488915930.db2.gz BOCAZDVEODBSLJ-VXGBXAGGSA-N 2 1 359.430 0.926 20 0 FCADMP COc1cc2[nH+]c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)nc(N)c2cc1OC ZINC000364030061 488915931 /nfs/dbraw/zinc/91/59/31/488915931.db2.gz BOCAZDVEODBSLJ-VXGBXAGGSA-N 2 1 359.430 0.926 20 0 FCADMP C[C@@](O)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C[NH+]1CCOCC1 ZINC000364387473 488954359 /nfs/dbraw/zinc/95/43/59/488954359.db2.gz RABYQOKZMYCNHF-GOSISDBHSA-N 2 1 369.506 0.221 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000071067804 488376707 /nfs/dbraw/zinc/37/67/07/488376707.db2.gz WRJFSULQQRIVRB-UHFFFAOYSA-N 2 1 374.445 0.599 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000071067804 488376708 /nfs/dbraw/zinc/37/67/08/488376708.db2.gz WRJFSULQQRIVRB-UHFFFAOYSA-N 2 1 374.445 0.599 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073031512 488383565 /nfs/dbraw/zinc/38/35/65/488383565.db2.gz OWTJFBBFJSWKRO-INIZCTEOSA-N 2 1 370.457 0.602 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602906 488385197 /nfs/dbraw/zinc/38/51/97/488385197.db2.gz OAXUZHMLVWZGSP-PKOBYXMFSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602906 488385198 /nfs/dbraw/zinc/38/51/98/488385198.db2.gz OAXUZHMLVWZGSP-PKOBYXMFSA-N 2 1 360.502 0.376 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073953080 488387081 /nfs/dbraw/zinc/38/70/81/488387081.db2.gz PIYCQEBKWXWMPY-SFHVURJKSA-N 2 1 356.511 0.491 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152714 488387894 /nfs/dbraw/zinc/38/78/94/488387894.db2.gz LNMWDXPJOOXREK-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000074372311 488391361 /nfs/dbraw/zinc/39/13/61/488391361.db2.gz PYAQXNHMGKKDSE-IAGOWNOFSA-N 2 1 356.511 0.707 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184511099 488396902 /nfs/dbraw/zinc/39/69/02/488396902.db2.gz IQSWCCYCLXGLOD-AEFFLSMTSA-N 2 1 354.539 0.922 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335640 491195226 /nfs/dbraw/zinc/19/52/26/491195226.db2.gz ZCZAQQJLLBQKSQ-QAPCUYQASA-N 2 1 372.513 0.801 20 0 FCADMP C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682495 488402579 /nfs/dbraw/zinc/40/25/79/488402579.db2.gz VBSIAQJDIYCZME-HUUCEWRRSA-N 2 1 369.535 0.941 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)C2CC2)CC1=O ZINC000186777875 488407912 /nfs/dbraw/zinc/40/79/12/488407912.db2.gz HPYYWJRTATUWAQ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[N@H+](C)C2CC2)CC1=O ZINC000186777875 488407914 /nfs/dbraw/zinc/40/79/14/488407914.db2.gz HPYYWJRTATUWAQ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CC2)CC1=O ZINC000186777875 488407916 /nfs/dbraw/zinc/40/79/16/488407916.db2.gz HPYYWJRTATUWAQ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554342638 491196706 /nfs/dbraw/zinc/19/67/06/491196706.db2.gz BTTJJMVTXOTNDQ-KRWDZBQOSA-N 2 1 369.554 0.175 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192491728 488422332 /nfs/dbraw/zinc/42/23/32/488422332.db2.gz RTWRNIDWSAWLLR-HNNXBMFYSA-N 2 1 369.535 0.824 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000079096048 488427217 /nfs/dbraw/zinc/42/72/17/488427217.db2.gz WPTFTHQDNNEYKW-UHFFFAOYSA-N 2 1 353.511 0.616 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193692383 488429166 /nfs/dbraw/zinc/42/91/66/488429166.db2.gz MOWPECWLHZHMLM-UHFFFAOYSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193820427 488429584 /nfs/dbraw/zinc/42/95/84/488429584.db2.gz ZHQHWOYMOJBYKO-BRWVUGGUSA-N 2 1 367.538 0.816 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081376847 488441655 /nfs/dbraw/zinc/44/16/55/488441655.db2.gz GTZKJFHNJBZCFG-GOSISDBHSA-N 2 1 374.485 0.459 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081376847 488441658 /nfs/dbraw/zinc/44/16/58/488441658.db2.gz GTZKJFHNJBZCFG-GOSISDBHSA-N 2 1 374.485 0.459 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000237191859 488455141 /nfs/dbraw/zinc/45/51/41/488455141.db2.gz ACGQATJBRPOCDT-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000245586141 488465128 /nfs/dbraw/zinc/46/51/28/488465128.db2.gz AJDKVOQJEZFXJE-VQIMIIECSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000245586141 488465129 /nfs/dbraw/zinc/46/51/29/488465129.db2.gz AJDKVOQJEZFXJE-VQIMIIECSA-N 2 1 370.538 0.879 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](C)C1 ZINC000246660342 488474914 /nfs/dbraw/zinc/47/49/14/488474914.db2.gz UJTIAPLRVFGSPL-BQFCYCMXSA-N 2 1 358.527 0.735 20 0 FCADMP C[N@H+](CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000093173058 488477930 /nfs/dbraw/zinc/47/79/30/488477930.db2.gz WQRBRYRUAFVMEP-UHFFFAOYSA-N 2 1 373.545 0.510 20 0 FCADMP C[N@@H+](CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000093173058 488477932 /nfs/dbraw/zinc/47/79/32/488477932.db2.gz WQRBRYRUAFVMEP-UHFFFAOYSA-N 2 1 373.545 0.510 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)CC1=O ZINC000247117939 488481911 /nfs/dbraw/zinc/48/19/11/488481911.db2.gz LCMGCMDVOCAXCS-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000247117939 488481912 /nfs/dbraw/zinc/48/19/12/488481912.db2.gz LCMGCMDVOCAXCS-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000247117939 488481913 /nfs/dbraw/zinc/48/19/13/488481913.db2.gz LCMGCMDVOCAXCS-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269248529 488482543 /nfs/dbraw/zinc/48/25/43/488482543.db2.gz FMZDJZSFEQRFHV-IBGZPJMESA-N 2 1 373.501 0.886 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000247558309 488487939 /nfs/dbraw/zinc/48/79/39/488487939.db2.gz ZWIYIKSYTKOWGY-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(C[NH2+]C[C@H]1CCCO1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000269294743 488488057 /nfs/dbraw/zinc/48/80/57/488488057.db2.gz MYJQPZFPAXXFBZ-GOSISDBHSA-N 2 1 361.490 0.479 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000104068107 488503649 /nfs/dbraw/zinc/50/36/49/488503649.db2.gz YNJHHXGSUXXGAW-MRXNPFEDSA-N 2 1 355.442 0.609 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C ZINC000104801397 488506140 /nfs/dbraw/zinc/50/61/40/488506140.db2.gz BNGYWOCEGRGVTH-HNNXBMFYSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000249420255 488510007 /nfs/dbraw/zinc/51/00/07/488510007.db2.gz HHWXAJVABOWNLQ-PFJGLKMASA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000249420255 488510009 /nfs/dbraw/zinc/51/00/09/488510009.db2.gz HHWXAJVABOWNLQ-PFJGLKMASA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000249420255 488510011 /nfs/dbraw/zinc/51/00/11/488510011.db2.gz HHWXAJVABOWNLQ-PFJGLKMASA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000252653554 488519127 /nfs/dbraw/zinc/51/91/27/488519127.db2.gz ZLLNHCKKAVDSSH-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000252653554 488519129 /nfs/dbraw/zinc/51/91/29/488519129.db2.gz ZLLNHCKKAVDSSH-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000252653554 488519131 /nfs/dbraw/zinc/51/91/31/488519131.db2.gz ZLLNHCKKAVDSSH-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000252653483 488519503 /nfs/dbraw/zinc/51/95/03/488519503.db2.gz ZLLNHCKKAVDSSH-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000252653483 488519506 /nfs/dbraw/zinc/51/95/06/488519506.db2.gz ZLLNHCKKAVDSSH-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000252653483 488519507 /nfs/dbraw/zinc/51/95/07/488519507.db2.gz ZLLNHCKKAVDSSH-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000108570859 488520442 /nfs/dbraw/zinc/52/04/42/488520442.db2.gz CGLYRPCBHZHFQE-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108570859 488520444 /nfs/dbraw/zinc/52/04/44/488520444.db2.gz CGLYRPCBHZHFQE-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108570859 488520445 /nfs/dbraw/zinc/52/04/45/488520445.db2.gz CGLYRPCBHZHFQE-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000261642059 488528710 /nfs/dbraw/zinc/52/87/10/488528710.db2.gz IMZYZSHJQRNNPP-AWEZNQCLSA-N 2 1 350.488 0.420 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000261641925 488528946 /nfs/dbraw/zinc/52/89/46/488528946.db2.gz IJJMAPUIEXVICI-AWEZNQCLSA-N 2 1 352.866 0.743 20 0 FCADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000261648593 488529093 /nfs/dbraw/zinc/52/90/93/488529093.db2.gz JHZAMXMRIQIWGW-OAHLLOKOSA-N 2 1 350.438 0.537 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114587406 488541885 /nfs/dbraw/zinc/54/18/85/488541885.db2.gz OLFPDCGLSSEVSB-SFHVURJKSA-N 2 1 369.554 0.408 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000114587406 488541886 /nfs/dbraw/zinc/54/18/86/488541886.db2.gz OLFPDCGLSSEVSB-SFHVURJKSA-N 2 1 369.554 0.408 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000114587406 488541887 /nfs/dbraw/zinc/54/18/87/488541887.db2.gz OLFPDCGLSSEVSB-SFHVURJKSA-N 2 1 369.554 0.408 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037510 488547194 /nfs/dbraw/zinc/54/71/94/488547194.db2.gz KUTZDEIEAQSYGH-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262037510 488547196 /nfs/dbraw/zinc/54/71/96/488547196.db2.gz KUTZDEIEAQSYGH-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000262091626 488549878 /nfs/dbraw/zinc/54/98/78/488549878.db2.gz LMMOXQNUYCFCFO-UHFFFAOYSA-N 2 1 368.503 0.027 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262107597 488550774 /nfs/dbraw/zinc/55/07/74/488550774.db2.gz MJWIXFMHAXHSFZ-KRWDZBQOSA-N 2 1 358.486 0.950 20 0 FCADMP COc1cc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)ccc1OCC[NH+](C)C ZINC000262117489 488552070 /nfs/dbraw/zinc/55/20/70/488552070.db2.gz FRCUNTGMTQAASF-DYVFJYSZSA-N 2 1 351.447 0.629 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC000262133175 488552496 /nfs/dbraw/zinc/55/24/96/488552496.db2.gz OCFNLYLZXQKEHD-UHFFFAOYSA-N 2 1 364.877 0.920 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262269856 488560476 /nfs/dbraw/zinc/56/04/76/488560476.db2.gz SGOHHUOFNZCBPC-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1OCCN[C@@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000262312264 488563445 /nfs/dbraw/zinc/56/34/45/488563445.db2.gz QNKBHULMHHLYJH-MJGOQNOKSA-N 2 1 360.502 0.640 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000262312264 488563448 /nfs/dbraw/zinc/56/34/48/488563448.db2.gz QNKBHULMHHLYJH-MJGOQNOKSA-N 2 1 360.502 0.640 20 0 FCADMP C[NH2+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1cnn(C)c1 ZINC000262392088 488567829 /nfs/dbraw/zinc/56/78/29/488567829.db2.gz OHRLOVPRQNJNFX-LJQANCHMSA-N 2 1 371.485 0.954 20 0 FCADMP C[NH2+][C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cnn(C)c1 ZINC000262470476 488571979 /nfs/dbraw/zinc/57/19/79/488571979.db2.gz YEYAMRYBGCQACH-SOLBZPMBSA-N 2 1 362.522 0.698 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000272500233 488584596 /nfs/dbraw/zinc/58/45/96/488584596.db2.gz VRKFKNJUCFNMDG-MRXNPFEDSA-N 2 1 351.520 0.790 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)C1 ZINC000262661698 488584876 /nfs/dbraw/zinc/58/48/76/488584876.db2.gz LVQSBNLALXRLBZ-HZPDHXFCSA-N 2 1 362.499 0.663 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)C1 ZINC000262661698 488584879 /nfs/dbraw/zinc/58/48/79/488584879.db2.gz LVQSBNLALXRLBZ-HZPDHXFCSA-N 2 1 362.499 0.663 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000262770627 488591683 /nfs/dbraw/zinc/59/16/83/488591683.db2.gz HREUFADMJBOCHC-DNVCBOLYSA-N 2 1 368.522 0.626 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000125673022 488603301 /nfs/dbraw/zinc/60/33/01/488603301.db2.gz HPOORNRNFMIUAL-QGZVFWFLSA-N 2 1 361.490 0.799 20 0 FCADMP O=S(=O)(C[C@@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263731547 488622468 /nfs/dbraw/zinc/62/24/68/488622468.db2.gz YIOINWJTDGGXBX-KRWDZBQOSA-N 2 1 368.503 0.692 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000570062598 491213000 /nfs/dbraw/zinc/21/30/00/491213000.db2.gz QCXUMDJMQIXUGC-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2C1 ZINC000132048271 488650124 /nfs/dbraw/zinc/65/01/24/488650124.db2.gz CTGGXSGLDJBNNW-LJQANCHMSA-N 2 1 362.474 0.780 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2C1 ZINC000132048271 488650125 /nfs/dbraw/zinc/65/01/25/488650125.db2.gz CTGGXSGLDJBNNW-LJQANCHMSA-N 2 1 362.474 0.780 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132984563 488656610 /nfs/dbraw/zinc/65/66/10/488656610.db2.gz QBOMPPFLBZATHK-LJQANCHMSA-N 3 1 362.518 0.839 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132984563 488656611 /nfs/dbraw/zinc/65/66/11/488656611.db2.gz QBOMPPFLBZATHK-LJQANCHMSA-N 3 1 362.518 0.839 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000554653728 491216045 /nfs/dbraw/zinc/21/60/45/491216045.db2.gz CQSGMGATKKSJIF-OAHLLOKOSA-N 2 1 365.478 0.131 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662775 491216571 /nfs/dbraw/zinc/21/65/71/491216571.db2.gz XYSIUJTWJDCFFE-GOEBONIOSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(CO)CO ZINC000135914804 488675672 /nfs/dbraw/zinc/67/56/72/488675672.db2.gz BEZMSJYDCMNHQK-FUHWJXTLSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(CO)CO ZINC000135914804 488675674 /nfs/dbraw/zinc/67/56/74/488675674.db2.gz BEZMSJYDCMNHQK-FUHWJXTLSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914804 488675677 /nfs/dbraw/zinc/67/56/77/488675677.db2.gz BEZMSJYDCMNHQK-FUHWJXTLSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914804 488675679 /nfs/dbraw/zinc/67/56/79/488675679.db2.gz BEZMSJYDCMNHQK-FUHWJXTLSA-N 2 1 363.502 0.688 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000136874583 488679242 /nfs/dbraw/zinc/67/92/42/488679242.db2.gz KZMKNXPAWAKOGA-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000136874583 488679244 /nfs/dbraw/zinc/67/92/44/488679244.db2.gz KZMKNXPAWAKOGA-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264685932 488698386 /nfs/dbraw/zinc/69/83/86/488698386.db2.gz CGRXFQAMVKYGPB-KRWDZBQOSA-N 2 1 363.506 0.672 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698450 488699595 /nfs/dbraw/zinc/69/95/95/488699595.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698450 488699596 /nfs/dbraw/zinc/69/95/96/488699596.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@H+]1CCc2ccccc2C1 ZINC000264698450 488699598 /nfs/dbraw/zinc/69/95/98/488699598.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 1 359.518 0.978 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000152382961 488717054 /nfs/dbraw/zinc/71/70/54/488717054.db2.gz CTXDRRMTZYYNNZ-HNNXBMFYSA-N 2 1 356.536 0.436 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000152382820 488717207 /nfs/dbraw/zinc/71/72/07/488717207.db2.gz CTXDRRMTZYYNNZ-OAHLLOKOSA-N 2 1 356.536 0.436 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000155138872 488751935 /nfs/dbraw/zinc/75/19/35/488751935.db2.gz ROPXZLHZJAYCOS-HNNXBMFYSA-N 2 1 364.494 0.477 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(N2CCNC2=O)CC1)c1ccccc1 ZINC000157687902 488772830 /nfs/dbraw/zinc/77/28/30/488772830.db2.gz CGPBIDNNOKSZBG-SFHVURJKSA-N 2 1 373.501 0.895 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C(=O)N1CCCCC1 ZINC000563149563 491221380 /nfs/dbraw/zinc/22/13/80/491221380.db2.gz CEWKPWHTGRZDJJ-RDJZCZTQSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(=O)N1CCCCC1 ZINC000563149559 491221729 /nfs/dbraw/zinc/22/17/29/491221729.db2.gz CEWKPWHTGRZDJJ-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000554729783 491221854 /nfs/dbraw/zinc/22/18/54/491221854.db2.gz IPBGJKDKNCXJGS-OTWHNJEPSA-N 2 1 372.517 0.965 20 0 FCADMP COC1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000166613148 488811754 /nfs/dbraw/zinc/81/17/54/488811754.db2.gz FDDPSDKTCCLYAO-CALCHBBNSA-N 2 1 352.523 0.772 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000168016128 488812384 /nfs/dbraw/zinc/81/23/84/488812384.db2.gz GYKXZEPRGAHXLX-ZDUSSCGKSA-N 2 1 350.467 0.304 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000168016128 488812385 /nfs/dbraw/zinc/81/23/85/488812385.db2.gz GYKXZEPRGAHXLX-ZDUSSCGKSA-N 2 1 350.467 0.304 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000167818923 488812498 /nfs/dbraw/zinc/81/24/98/488812498.db2.gz JOJRGOADINJHSJ-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@@H+]1CCOC ZINC000168053958 488812585 /nfs/dbraw/zinc/81/25/85/488812585.db2.gz UFOMXKFGKNBVII-OAHLLOKOSA-N 2 1 364.494 0.694 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@H+]1CCOC ZINC000168053958 488812587 /nfs/dbraw/zinc/81/25/87/488812587.db2.gz UFOMXKFGKNBVII-OAHLLOKOSA-N 2 1 364.494 0.694 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCN3CCOC(C)(C)C3)cc2C1 ZINC000171297865 488821925 /nfs/dbraw/zinc/82/19/25/488821925.db2.gz ACVBVPCXAMVWEN-UHFFFAOYSA-N 2 1 360.458 0.798 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCN3CCOC(C)(C)C3)cc2C1 ZINC000171297865 488821927 /nfs/dbraw/zinc/82/19/27/488821927.db2.gz ACVBVPCXAMVWEN-UHFFFAOYSA-N 2 1 360.458 0.798 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199379 491223673 /nfs/dbraw/zinc/22/36/73/491223673.db2.gz NNNFHCXLODTVSA-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199379 491223676 /nfs/dbraw/zinc/22/36/76/491223676.db2.gz NNNFHCXLODTVSA-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199379 491223680 /nfs/dbraw/zinc/22/36/80/491223680.db2.gz NNNFHCXLODTVSA-GOEBONIOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000173396194 488842586 /nfs/dbraw/zinc/84/25/86/488842586.db2.gz KCUMZJCMNFBNSU-QGZVFWFLSA-N 2 1 369.554 0.670 20 0 FCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173793541 488845448 /nfs/dbraw/zinc/84/54/48/488845448.db2.gz JFDOWZILZUXIJH-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173793541 488845449 /nfs/dbraw/zinc/84/54/49/488845449.db2.gz JFDOWZILZUXIJH-AWEZNQCLSA-N 2 1 362.478 0.097 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCOCC1 ZINC000173905932 488846161 /nfs/dbraw/zinc/84/61/61/488846161.db2.gz BWJNGOZRRPYPDC-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175611362 488854540 /nfs/dbraw/zinc/85/45/40/488854540.db2.gz OPFQYXBLPHONIA-ROUUACIJSA-N 2 1 368.522 0.707 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176164975 488857571 /nfs/dbraw/zinc/85/75/71/488857571.db2.gz GGIODHSMBSNLBZ-SFHVURJKSA-N 2 1 368.522 0.849 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000181062286 488862987 /nfs/dbraw/zinc/86/29/87/488862987.db2.gz HLXWGGJHEUTYOW-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000181062286 488862988 /nfs/dbraw/zinc/86/29/88/488862988.db2.gz HLXWGGJHEUTYOW-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000364670983 488983948 /nfs/dbraw/zinc/98/39/48/488983948.db2.gz GNVBOWJEOIFGND-WOJBJXKFSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000364670983 488983952 /nfs/dbraw/zinc/98/39/52/488983952.db2.gz GNVBOWJEOIFGND-WOJBJXKFSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000364670983 488983955 /nfs/dbraw/zinc/98/39/55/488983955.db2.gz GNVBOWJEOIFGND-WOJBJXKFSA-N 2 1 372.513 0.649 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000365003546 489028343 /nfs/dbraw/zinc/02/83/43/489028343.db2.gz ZMAMSWVJFVCPNH-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000289075144 489040172 /nfs/dbraw/zinc/04/01/72/489040172.db2.gz OBWXLJVAHHQMNW-TXCZRRACSA-N 2 1 359.474 0.892 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCOCC1 ZINC000365187589 489048052 /nfs/dbraw/zinc/04/80/52/489048052.db2.gz ZWMQXJDBGKLDFT-IKGGRYGDSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCOCC1 ZINC000365187589 489048055 /nfs/dbraw/zinc/04/80/55/489048055.db2.gz ZWMQXJDBGKLDFT-IKGGRYGDSA-N 2 1 354.495 0.506 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570283049 491230219 /nfs/dbraw/zinc/23/02/19/491230219.db2.gz KFHXBNIHFWRYJW-MRXNPFEDSA-N 2 1 363.510 0.178 20 0 FCADMP CO[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000570282490 491230241 /nfs/dbraw/zinc/23/02/41/491230241.db2.gz ARJRJVDVOPLIRZ-RBUKOAKNSA-N 2 1 360.502 0.769 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1noc(C)c1C ZINC000570298726 491231661 /nfs/dbraw/zinc/23/16/61/491231661.db2.gz DIGCNWFILJBXHP-OAHLLOKOSA-N 2 1 365.478 1.104 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365690113 489100991 /nfs/dbraw/zinc/10/09/91/489100991.db2.gz DBUICCSMHQIPCC-PBFPGSCMSA-N 2 1 350.467 0.305 20 0 FCADMP CCOC1CC(CNC(=O)NCC2=CC[N@@H+](C)CC2)(N2CCOCC2)C1 ZINC000365833139 489118217 /nfs/dbraw/zinc/11/82/17/489118217.db2.gz PHACDMVITQOTJR-UHFFFAOYSA-N 2 1 366.506 0.817 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290288301 489128134 /nfs/dbraw/zinc/12/81/34/489128134.db2.gz BHFWFSDEWVWEBV-IRXDYDNUSA-N 2 1 373.501 0.967 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000290401933 489137009 /nfs/dbraw/zinc/13/70/09/489137009.db2.gz IRWJBWHFEUIGOG-DOTOQJQBSA-N 2 1 371.485 0.910 20 0 FCADMP O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000290401933 489137013 /nfs/dbraw/zinc/13/70/13/489137013.db2.gz IRWJBWHFEUIGOG-DOTOQJQBSA-N 2 1 371.485 0.910 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172644 489154802 /nfs/dbraw/zinc/15/48/02/489154802.db2.gz SIUXFHBEJZIWPY-IEBWSBKVSA-N 2 1 351.539 0.997 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@H]2C1 ZINC000331368184 489202049 /nfs/dbraw/zinc/20/20/49/489202049.db2.gz BWPJQIAWCLUDFK-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)[C@H]2C1 ZINC000331368185 489202213 /nfs/dbraw/zinc/20/22/13/489202213.db2.gz BWPJQIAWCLUDFK-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331382301 489204204 /nfs/dbraw/zinc/20/42/04/489204204.db2.gz JKEXCFRXAYUBJH-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331426099 489209495 /nfs/dbraw/zinc/20/94/95/489209495.db2.gz POPGDJQAPVAHII-MWDXBVQZSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000331458738 489214551 /nfs/dbraw/zinc/21/45/51/489214551.db2.gz PVBBCHSPRSCECH-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000369469124 489242029 /nfs/dbraw/zinc/24/20/29/489242029.db2.gz QTOFOIAKIJAJSY-MSOLQXFVSA-N 2 1 374.485 0.709 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283328559 489245863 /nfs/dbraw/zinc/24/58/63/489245863.db2.gz GCNXGNXAWJXAAL-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000332967284 489251826 /nfs/dbraw/zinc/25/18/26/489251826.db2.gz PXVPHJFGIHFSGV-GVDBMIGSSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332967284 489251829 /nfs/dbraw/zinc/25/18/29/489251829.db2.gz PXVPHJFGIHFSGV-GVDBMIGSSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332967284 489251831 /nfs/dbraw/zinc/25/18/31/489251831.db2.gz PXVPHJFGIHFSGV-GVDBMIGSSA-N 2 1 363.506 0.561 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCCn2ccnc2)CC[N@H+]1CCOC ZINC000283412349 489255960 /nfs/dbraw/zinc/25/59/60/489255960.db2.gz YWLOKQHSXHQZQT-MRXNPFEDSA-N 2 1 365.478 0.349 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297945504 489266657 /nfs/dbraw/zinc/26/66/57/489266657.db2.gz DPHOQCZTLKSLAV-HDICACEKSA-N 2 1 358.486 0.597 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369861577 489283477 /nfs/dbraw/zinc/28/34/77/489283477.db2.gz SBGRQLNPFSKSMZ-FGTMMUONSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369861577 489283480 /nfs/dbraw/zinc/28/34/80/489283480.db2.gz SBGRQLNPFSKSMZ-FGTMMUONSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369861577 489283483 /nfs/dbraw/zinc/28/34/83/489283483.db2.gz SBGRQLNPFSKSMZ-FGTMMUONSA-N 2 1 367.538 0.422 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369864961 489284333 /nfs/dbraw/zinc/28/43/33/489284333.db2.gz ZWWPDGSBPNQXMZ-IXDOHACOSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH2+][C@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000285830125 489324109 /nfs/dbraw/zinc/32/41/09/489324109.db2.gz VBWAYHYFNFPJQZ-KRWDZBQOSA-N 2 1 372.473 0.288 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452344 491248557 /nfs/dbraw/zinc/24/85/57/491248557.db2.gz WGHZEIVDZSXFTN-GVDBMIGSSA-N 2 1 363.506 0.737 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CSCC(N)=O ZINC000370214177 489328961 /nfs/dbraw/zinc/32/89/61/489328961.db2.gz BBQBDYFFUNOPIY-UHFFFAOYSA-N 2 1 370.563 0.860 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452346 491248697 /nfs/dbraw/zinc/24/86/97/491248697.db2.gz WGHZEIVDZSXFTN-YESZJQIVSA-N 2 1 363.506 0.737 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297994 489340354 /nfs/dbraw/zinc/34/03/54/489340354.db2.gz HJMAWARMQONOLR-IRXDYDNUSA-N 2 1 369.554 0.668 20 0 FCADMP CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000298681858 489352379 /nfs/dbraw/zinc/35/23/79/489352379.db2.gz FKYOGILPUXJKHY-OAHLLOKOSA-N 2 1 362.474 0.962 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC1=O ZINC000370473934 489364116 /nfs/dbraw/zinc/36/41/16/489364116.db2.gz TZKRMOOWAFNNJU-AHCXZYCDSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1=O ZINC000370473934 489364119 /nfs/dbraw/zinc/36/41/19/489364119.db2.gz TZKRMOOWAFNNJU-AHCXZYCDSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1=O ZINC000370473934 489364122 /nfs/dbraw/zinc/36/41/22/489364122.db2.gz TZKRMOOWAFNNJU-AHCXZYCDSA-N 2 1 362.518 0.918 20 0 FCADMP O=C1OC[C@H]2C[N@@H+](CCCCCC[NH+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000370546233 489372737 /nfs/dbraw/zinc/37/27/37/489372737.db2.gz KVEPULWBQVHEBL-IYBDPMFKSA-N 2 1 366.462 0.820 20 0 FCADMP O=C1OC[C@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000370546233 489372738 /nfs/dbraw/zinc/37/27/38/489372738.db2.gz KVEPULWBQVHEBL-IYBDPMFKSA-N 2 1 366.462 0.820 20 0 FCADMP O=C1OC[C@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000370546233 489372742 /nfs/dbraw/zinc/37/27/42/489372742.db2.gz KVEPULWBQVHEBL-IYBDPMFKSA-N 2 1 366.462 0.820 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000370569538 489376317 /nfs/dbraw/zinc/37/63/17/489376317.db2.gz OPBANOYMYJBPEP-BBWFWOEESA-N 2 1 354.495 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000370569538 489376319 /nfs/dbraw/zinc/37/63/19/489376319.db2.gz OPBANOYMYJBPEP-BBWFWOEESA-N 2 1 354.495 0.650 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000286333185 489380621 /nfs/dbraw/zinc/38/06/21/489380621.db2.gz AREVDTUTSXSDBW-INIZCTEOSA-N 2 1 364.490 0.970 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000370601151 489380895 /nfs/dbraw/zinc/38/08/95/489380895.db2.gz FOSVDJKVTBBUOK-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000370601151 489380897 /nfs/dbraw/zinc/38/08/97/489380897.db2.gz FOSVDJKVTBBUOK-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000370601151 489380899 /nfs/dbraw/zinc/38/08/99/489380899.db2.gz FOSVDJKVTBBUOK-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858865 489401917 /nfs/dbraw/zinc/40/19/17/489401917.db2.gz GTUPVWQLGPLJCE-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286663196 489415161 /nfs/dbraw/zinc/41/51/61/489415161.db2.gz ANDDLCQOPRKRGL-AWEZNQCLSA-N 2 1 364.494 0.483 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286663196 489415163 /nfs/dbraw/zinc/41/51/63/489415163.db2.gz ANDDLCQOPRKRGL-AWEZNQCLSA-N 2 1 364.494 0.483 20 0 FCADMP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000570632992 491254395 /nfs/dbraw/zinc/25/43/95/491254395.db2.gz RHWDLZYSSMDCHC-YYIAUSFCSA-N 2 1 374.551 0.394 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCC1 ZINC000286754207 489425694 /nfs/dbraw/zinc/42/56/94/489425694.db2.gz GOTHKHJCFQNPIZ-AWEZNQCLSA-N 2 1 364.494 0.483 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027456 489440563 /nfs/dbraw/zinc/44/05/63/489440563.db2.gz IKNZDUMNHCLSJA-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371027456 489440564 /nfs/dbraw/zinc/44/05/64/489440564.db2.gz IKNZDUMNHCLSJA-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371027456 489440567 /nfs/dbraw/zinc/44/05/67/489440567.db2.gz IKNZDUMNHCLSJA-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000287172664 489467246 /nfs/dbraw/zinc/46/72/46/489467246.db2.gz ZMGMXHRKDAMYEZ-AWEZNQCLSA-N 2 1 364.494 0.293 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000287172664 489467249 /nfs/dbraw/zinc/46/72/49/489467249.db2.gz ZMGMXHRKDAMYEZ-AWEZNQCLSA-N 2 1 364.494 0.293 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363459728 489469163 /nfs/dbraw/zinc/46/91/63/489469163.db2.gz QSADIRAGRBMVQY-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363459728 489469165 /nfs/dbraw/zinc/46/91/65/489469165.db2.gz QSADIRAGRBMVQY-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657824 489493866 /nfs/dbraw/zinc/49/38/66/489493866.db2.gz NDLSISJSEUKYEL-SJORKVTESA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371657824 489493871 /nfs/dbraw/zinc/49/38/71/489493871.db2.gz NDLSISJSEUKYEL-SJORKVTESA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371657824 489493876 /nfs/dbraw/zinc/49/38/76/489493876.db2.gz NDLSISJSEUKYEL-SJORKVTESA-N 2 1 365.522 0.176 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423170280 489499066 /nfs/dbraw/zinc/49/90/66/489499066.db2.gz XRQBEHOMVBJRTN-QZTJIDSGSA-N 2 1 373.501 0.715 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423193063 489501583 /nfs/dbraw/zinc/50/15/83/489501583.db2.gz WJYPAPBGNCBAJX-NVXWUHKLSA-N 2 1 368.522 0.530 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000563627441 491259590 /nfs/dbraw/zinc/25/95/90/491259590.db2.gz ALXJAKYLYQVGDY-YJBOKZPZSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415408639 489517632 /nfs/dbraw/zinc/51/76/32/489517632.db2.gz CILDEQVMVADPBR-HNNXBMFYSA-N 2 1 362.474 0.472 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415408640 489517857 /nfs/dbraw/zinc/51/78/57/489517857.db2.gz CILDEQVMVADPBR-OAHLLOKOSA-N 2 1 362.474 0.472 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000415496891 489524868 /nfs/dbraw/zinc/52/48/68/489524868.db2.gz LCQDILONJZLTSG-OAHLLOKOSA-N 2 1 363.462 0.759 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000451891082 489528601 /nfs/dbraw/zinc/52/86/01/489528601.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 2 1 368.566 0.150 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN(C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528603 /nfs/dbraw/zinc/52/86/03/489528603.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 2 1 368.566 0.150 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN(C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528606 /nfs/dbraw/zinc/52/86/06/489528606.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 2 1 368.566 0.150 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000451926139 489531439 /nfs/dbraw/zinc/53/14/39/489531439.db2.gz HCRCWRNWBMKVGR-MQVJKMGUSA-N 2 1 369.535 0.965 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000425876454 489538134 /nfs/dbraw/zinc/53/81/34/489538134.db2.gz GHYXGFDZKJHHON-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000425876454 489538137 /nfs/dbraw/zinc/53/81/37/489538137.db2.gz GHYXGFDZKJHHON-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC([NH3+])C1 ZINC000415795505 489553705 /nfs/dbraw/zinc/55/37/05/489553705.db2.gz YPFFDQXGGCAYFT-UHFFFAOYSA-N 2 1 360.458 0.448 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415864185 489560998 /nfs/dbraw/zinc/56/09/98/489560998.db2.gz VPARJABBYACXEO-UHFFFAOYSA-N 2 1 374.485 0.758 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870554 489562032 /nfs/dbraw/zinc/56/20/32/489562032.db2.gz TVRBGFPMFSMRMG-YJBOKZPZSA-N 2 1 374.485 0.962 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415989866 489566877 /nfs/dbraw/zinc/56/68/77/489566877.db2.gz BPRVCEIWISQGLG-LBPRGKRZSA-N 2 1 353.433 0.981 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004574 489567264 /nfs/dbraw/zinc/56/72/64/489567264.db2.gz IQPCKTFNZYZUPG-RYUDHWBXSA-N 2 1 367.416 0.508 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000416145419 489571002 /nfs/dbraw/zinc/57/10/02/489571002.db2.gz LNXNLMWYTCXGKT-GFCCVEGCSA-N 2 1 367.450 0.385 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702732 491264185 /nfs/dbraw/zinc/26/41/85/491264185.db2.gz LMJMYCGTFDLKGA-HZPDHXFCSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000563702732 491264186 /nfs/dbraw/zinc/26/41/86/491264186.db2.gz LMJMYCGTFDLKGA-HZPDHXFCSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000563702732 491264188 /nfs/dbraw/zinc/26/41/88/491264188.db2.gz LMJMYCGTFDLKGA-HZPDHXFCSA-N 2 1 350.507 0.990 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000563704926 491264354 /nfs/dbraw/zinc/26/43/54/491264354.db2.gz APSMIMRVOXIHCE-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399057 489581064 /nfs/dbraw/zinc/58/10/64/489581064.db2.gz ARESXVPGHZAVGT-WMZOPIPTSA-N 2 1 352.523 0.535 20 0 FCADMP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000372454902 489585891 /nfs/dbraw/zinc/58/58/91/489585891.db2.gz MHDWAKGJMYSKFN-ROUUACIJSA-N 3 1 366.550 0.972 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](NC(=O)NC)C3)CC2)CC1 ZINC000570813851 491266366 /nfs/dbraw/zinc/26/63/66/491266366.db2.gz IQPOFNYSRIVPLU-INIZCTEOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570818205 491266545 /nfs/dbraw/zinc/26/65/45/491266545.db2.gz OSASPPINGGPWLC-WMZOPIPTSA-N 2 1 372.473 0.646 20 0 FCADMP CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570818205 491266547 /nfs/dbraw/zinc/26/65/47/491266547.db2.gz OSASPPINGGPWLC-WMZOPIPTSA-N 2 1 372.473 0.646 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000555700651 491266663 /nfs/dbraw/zinc/26/66/63/491266663.db2.gz QBOWAOGALJFOMM-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000416941725 489634845 /nfs/dbraw/zinc/63/48/45/489634845.db2.gz CHZUYBMZTJRVLZ-CVEARBPZSA-N 2 1 361.494 0.428 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416946576 489635610 /nfs/dbraw/zinc/63/56/10/489635610.db2.gz FYTJKUUHFUNRCL-DLBZAZTESA-N 2 1 356.511 0.883 20 0 FCADMP CO[C@@H]1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000416945346 489635613 /nfs/dbraw/zinc/63/56/13/489635613.db2.gz VZIGAFBOIJWXHJ-GVDBMIGSSA-N 2 1 356.511 0.881 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000416953727 489635949 /nfs/dbraw/zinc/63/59/49/489635949.db2.gz PJQZDLMNQKWUKH-HOTGVXAUSA-N 2 1 361.494 0.381 20 0 FCADMP CCC[NH2+]CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000416976434 489637451 /nfs/dbraw/zinc/63/74/51/489637451.db2.gz QVXSUJYCYSSIQM-UHFFFAOYSA-N 2 1 361.490 0.873 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[nH+]c1 ZINC000417056922 489640035 /nfs/dbraw/zinc/64/00/35/489640035.db2.gz APDSQWHDQGBKAE-HNNXBMFYSA-N 2 1 362.478 0.689 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N(CC[NH3+])CCO)c2)CCO1 ZINC000417273075 489646296 /nfs/dbraw/zinc/64/62/96/489646296.db2.gz WHFUQOJCSKZNQG-OAHLLOKOSA-N 2 1 350.463 0.370 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N(CC[NH3+])CCO)c2)CCO1 ZINC000417273075 489646297 /nfs/dbraw/zinc/64/62/97/489646297.db2.gz WHFUQOJCSKZNQG-OAHLLOKOSA-N 2 1 350.463 0.370 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C[C@@H](C)O1 ZINC000457571609 489649981 /nfs/dbraw/zinc/64/99/81/489649981.db2.gz HZHORSRDPYQJCH-BRWVUGGUSA-N 2 1 356.511 0.632 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCN(C)CC1 ZINC000457622632 489651256 /nfs/dbraw/zinc/65/12/56/489651256.db2.gz QNRVSAYNTZHKNI-ZWKOTPCHSA-N 2 1 369.554 0.404 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417426416 489652041 /nfs/dbraw/zinc/65/20/41/489652041.db2.gz GNXOTXRDSJOKKM-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417429601 489652710 /nfs/dbraw/zinc/65/27/10/489652710.db2.gz NJIZZOTVJLXCSJ-MRXNPFEDSA-N 2 1 351.495 0.538 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417428141 489652792 /nfs/dbraw/zinc/65/27/92/489652792.db2.gz KFBUEXNQMOXLCF-HOTGVXAUSA-N 2 1 353.511 0.761 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417429042 489652945 /nfs/dbraw/zinc/65/29/45/489652945.db2.gz MPDJOKRUNDFJAC-PMPSAXMXSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1=O ZINC000428543959 489653046 /nfs/dbraw/zinc/65/30/46/489653046.db2.gz IWBWCWZCPYSBOU-WMZOPIPTSA-N 2 1 374.485 0.602 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000457673395 489654265 /nfs/dbraw/zinc/65/42/65/489654265.db2.gz PLOYBDFJZODYEB-UHFFFAOYSA-N 2 1 353.511 0.716 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448770 489654701 /nfs/dbraw/zinc/65/47/01/489654701.db2.gz WIIQRVDDTAMMFW-STQMWFEESA-N 2 1 353.433 0.852 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417519130 489656707 /nfs/dbraw/zinc/65/67/07/489656707.db2.gz ULFMMZNJRTUYKH-SQNIBIBYSA-N 2 1 364.490 0.576 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)C1 ZINC000417547815 489658194 /nfs/dbraw/zinc/65/81/94/489658194.db2.gz PEHIGOOAQUIJEB-QGZVFWFLSA-N 2 1 359.474 0.499 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000417550838 489658320 /nfs/dbraw/zinc/65/83/20/489658320.db2.gz MMTMRQTVZVDOJJ-AAEUAGOBSA-N 2 1 351.417 0.604 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000428624549 489658598 /nfs/dbraw/zinc/65/85/98/489658598.db2.gz IVFQYYBBNFOJEH-ZWKOTPCHSA-N 2 1 358.486 0.960 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428688797 489660770 /nfs/dbraw/zinc/66/07/70/489660770.db2.gz PAQGIXMYJZXSGE-INIZCTEOSA-N 2 1 365.522 0.747 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417750248 489664200 /nfs/dbraw/zinc/66/42/00/489664200.db2.gz KKZPVIIRNDNPOJ-SJLPKXTDSA-N 2 1 355.527 0.328 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000373120908 489670395 /nfs/dbraw/zinc/67/03/95/489670395.db2.gz HYPLRQFDMBSERY-OKZBNKHCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000373120908 489670398 /nfs/dbraw/zinc/67/03/98/489670398.db2.gz HYPLRQFDMBSERY-OKZBNKHCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000373120908 489670399 /nfs/dbraw/zinc/67/03/99/489670399.db2.gz HYPLRQFDMBSERY-OKZBNKHCSA-N 2 1 351.539 0.994 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000373123615 489670726 /nfs/dbraw/zinc/67/07/26/489670726.db2.gz NYTSJQWSRRXPQY-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000373123615 489670730 /nfs/dbraw/zinc/67/07/30/489670730.db2.gz NYTSJQWSRRXPQY-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1 ZINC000458199460 489673636 /nfs/dbraw/zinc/67/36/36/489673636.db2.gz RKRGJMSDGPBSDR-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1 ZINC000458199460 489673638 /nfs/dbraw/zinc/67/36/38/489673638.db2.gz RKRGJMSDGPBSDR-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(F)cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373148502 489673824 /nfs/dbraw/zinc/67/38/24/489673824.db2.gz WUYNTDQWICMTIK-HNNXBMFYSA-N 2 1 363.437 0.786 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002138 489674714 /nfs/dbraw/zinc/67/47/14/489674714.db2.gz LRGPJIPSPDYWSB-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458331830 489677350 /nfs/dbraw/zinc/67/73/50/489677350.db2.gz HMSFPLSDMWJIKZ-KRWDZBQOSA-N 2 1 368.522 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)[C@@H]1c1ccccc1 ZINC000418163381 489681083 /nfs/dbraw/zinc/68/10/83/489681083.db2.gz DFWRQOGGDFRGKS-IRXDYDNUSA-N 2 1 350.463 0.411 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)[C@@H]1c1ccccc1 ZINC000418163381 489681088 /nfs/dbraw/zinc/68/10/88/489681088.db2.gz DFWRQOGGDFRGKS-IRXDYDNUSA-N 2 1 350.463 0.411 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)[C@@H]1c1ccccc1 ZINC000418189194 489683470 /nfs/dbraw/zinc/68/34/70/489683470.db2.gz VBZRCQJBFYZJMK-MHORFTMASA-N 2 1 362.474 0.328 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)[C@@H]1c1ccccc1 ZINC000418189194 489683473 /nfs/dbraw/zinc/68/34/73/489683473.db2.gz VBZRCQJBFYZJMK-MHORFTMASA-N 2 1 362.474 0.328 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461433 489684325 /nfs/dbraw/zinc/68/43/25/489684325.db2.gz PHNLNJXNVMFVST-QZTJIDSGSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461433 489684328 /nfs/dbraw/zinc/68/43/28/489684328.db2.gz PHNLNJXNVMFVST-QZTJIDSGSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461433 489684330 /nfs/dbraw/zinc/68/43/30/489684330.db2.gz PHNLNJXNVMFVST-QZTJIDSGSA-N 2 1 369.554 0.406 20 0 FCADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418197684 489684503 /nfs/dbraw/zinc/68/45/03/489684503.db2.gz JXMPQBDMHIDSTD-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418197684 489684504 /nfs/dbraw/zinc/68/45/04/489684504.db2.gz JXMPQBDMHIDSTD-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458482292 489685908 /nfs/dbraw/zinc/68/59/08/489685908.db2.gz BZJMDKBILSALDR-CALCHBBNSA-N 2 1 370.538 0.972 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273687 489687010 /nfs/dbraw/zinc/68/70/10/489687010.db2.gz BXBJVVVYXKUZSS-UONOGXRCSA-N 2 1 365.444 0.854 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418447862 489699230 /nfs/dbraw/zinc/69/92/30/489699230.db2.gz PXQQUFROVGNSQN-MSOLQXFVSA-N 2 1 369.554 0.940 20 0 FCADMP CSC1(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC[NH+](C)CC1 ZINC000458796307 489703201 /nfs/dbraw/zinc/70/32/01/489703201.db2.gz WTPQMCJRXMNPOW-OAHLLOKOSA-N 2 1 358.552 0.960 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391890 489705536 /nfs/dbraw/zinc/70/55/36/489705536.db2.gz WTRNFGAFSLGLRX-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391890 489705538 /nfs/dbraw/zinc/70/55/38/489705538.db2.gz WTRNFGAFSLGLRX-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469391890 489705542 /nfs/dbraw/zinc/70/55/42/489705542.db2.gz WTRNFGAFSLGLRX-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469391890 489705544 /nfs/dbraw/zinc/70/55/44/489705544.db2.gz WTRNFGAFSLGLRX-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418570855 489708153 /nfs/dbraw/zinc/70/81/53/489708153.db2.gz RBOPWSXULUOPAN-OWQGQXMQSA-N 2 1 368.428 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418605870 489709315 /nfs/dbraw/zinc/70/93/15/489709315.db2.gz UUMOICCZHOFDLL-UHFFFAOYSA-N 2 1 365.522 0.882 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418605870 489709318 /nfs/dbraw/zinc/70/93/18/489709318.db2.gz UUMOICCZHOFDLL-UHFFFAOYSA-N 2 1 365.522 0.882 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611551 489710237 /nfs/dbraw/zinc/71/02/37/489710237.db2.gz HVSVDDPEBCGJPY-ZDUSSCGKSA-N 2 1 351.417 0.558 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611501 489710538 /nfs/dbraw/zinc/71/05/38/489710538.db2.gz HQJCIHWLNMBQKE-KGLIPLIRSA-N 2 1 365.444 0.948 20 0 FCADMP C[C@](O)(CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000418669611 489717300 /nfs/dbraw/zinc/71/73/00/489717300.db2.gz JMFKHJRWMUGYMP-MJGOQNOKSA-N 2 1 364.490 0.849 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000418685974 489718323 /nfs/dbraw/zinc/71/83/23/489718323.db2.gz NOCISNDZNIBDED-YQVWRLOYSA-N 2 1 362.474 0.124 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000555805748 491274330 /nfs/dbraw/zinc/27/43/30/491274330.db2.gz WWUXSXLFGZSNFI-JYJNAYRXSA-N 2 1 370.538 0.837 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000555805748 491274332 /nfs/dbraw/zinc/27/43/32/491274332.db2.gz WWUXSXLFGZSNFI-JYJNAYRXSA-N 2 1 370.538 0.837 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418786728 489726873 /nfs/dbraw/zinc/72/68/73/489726873.db2.gz JFAHBSKQBLMLRA-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418786728 489726875 /nfs/dbraw/zinc/72/68/75/489726875.db2.gz JFAHBSKQBLMLRA-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418802132 489730870 /nfs/dbraw/zinc/73/08/70/489730870.db2.gz XSPALEMXGNVSEK-MSOLQXFVSA-N 2 1 362.474 0.083 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418819178 489737138 /nfs/dbraw/zinc/73/71/38/489737138.db2.gz ODIZFWDGWPEVMS-OXJNMPFZSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418825165 489739994 /nfs/dbraw/zinc/73/99/94/489739994.db2.gz UBZSPQYLIUSATH-YRGRVCCFSA-N 2 1 351.451 0.173 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000418825633 489741704 /nfs/dbraw/zinc/74/17/04/489741704.db2.gz AJZTWJOUHOZGIS-ZBFHGGJFSA-N 2 1 362.474 0.754 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418828379 489742018 /nfs/dbraw/zinc/74/20/18/489742018.db2.gz HVGJWXGFSLSAOI-HNNXBMFYSA-N 2 1 352.479 0.087 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000418831414 489744218 /nfs/dbraw/zinc/74/42/18/489744218.db2.gz GGWCOEGMGLDAEH-BMFZPTHFSA-N 2 1 362.474 0.610 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)C[C@@H](C)O1 ZINC000570958661 491276196 /nfs/dbraw/zinc/27/61/96/491276196.db2.gz JQQVOFZWSGRSBC-RBSFLKMASA-N 2 1 350.467 0.341 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570372 489747530 /nfs/dbraw/zinc/74/75/30/489747530.db2.gz GKSXBAVEAGEVNX-LSDHHAIUSA-N 2 1 362.540 0.222 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570372 489747532 /nfs/dbraw/zinc/74/75/32/489747532.db2.gz GKSXBAVEAGEVNX-LSDHHAIUSA-N 2 1 362.540 0.222 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418837369 489747998 /nfs/dbraw/zinc/74/79/98/489747998.db2.gz SOPXDZPPISHQED-INIZCTEOSA-N 2 1 366.506 0.254 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418838393 489748940 /nfs/dbraw/zinc/74/89/40/489748940.db2.gz VEKMYEAMCKEIIE-CVEARBPZSA-N 2 1 362.474 0.989 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000430602105 489750238 /nfs/dbraw/zinc/75/02/38/489750238.db2.gz GFPLQPTUMQBXLU-OLZOCXBDSA-N 2 1 364.412 0.574 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000430605068 489751032 /nfs/dbraw/zinc/75/10/32/489751032.db2.gz PNKLRNBDGDUXNT-QGZVFWFLSA-N 2 1 374.485 0.325 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430598302 489751175 /nfs/dbraw/zinc/75/11/75/489751175.db2.gz CHJIAMDKZBPAPH-HOCLYGCPSA-N 2 1 360.458 0.413 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000430609164 489751713 /nfs/dbraw/zinc/75/17/13/489751713.db2.gz HANPOTLTZKVPSB-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418842313 489752261 /nfs/dbraw/zinc/75/22/61/489752261.db2.gz ZTSRPLAGMAQBEE-INIZCTEOSA-N 2 1 368.522 0.627 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000430610308 489752701 /nfs/dbraw/zinc/75/27/01/489752701.db2.gz KHBGYBQVLPFKDA-CQSZACIVSA-N 2 1 371.478 0.776 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000430610308 489752705 /nfs/dbraw/zinc/75/27/05/489752705.db2.gz KHBGYBQVLPFKDA-CQSZACIVSA-N 2 1 371.478 0.776 20 0 FCADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610856 489753132 /nfs/dbraw/zinc/75/31/32/489753132.db2.gz LUJKAMWPKPFKAU-MRXNPFEDSA-N 2 1 362.474 0.141 20 0 FCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613461 489753661 /nfs/dbraw/zinc/75/36/61/489753661.db2.gz VPEMUKAMFSDQQJ-LBPRGKRZSA-N 2 1 352.401 0.573 20 0 FCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613461 489753668 /nfs/dbraw/zinc/75/36/68/489753668.db2.gz VPEMUKAMFSDQQJ-LBPRGKRZSA-N 2 1 352.401 0.573 20 0 FCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613460 489753866 /nfs/dbraw/zinc/75/38/66/489753866.db2.gz VPEMUKAMFSDQQJ-GFCCVEGCSA-N 2 1 352.401 0.573 20 0 FCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613460 489753868 /nfs/dbraw/zinc/75/38/68/489753868.db2.gz VPEMUKAMFSDQQJ-GFCCVEGCSA-N 2 1 352.401 0.573 20 0 FCADMP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618296 489754627 /nfs/dbraw/zinc/75/46/27/489754627.db2.gz SOFXRLAWFRVHLA-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)[C@H]1C ZINC000376569688 489755563 /nfs/dbraw/zinc/75/55/63/489755563.db2.gz HOVXZGOSZIYZCC-XSLAGTTESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624451 489756583 /nfs/dbraw/zinc/75/65/83/489756583.db2.gz IGFDENHEMNDRAB-UKRRQHHQSA-N 2 1 350.438 0.617 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000418850396 489756940 /nfs/dbraw/zinc/75/69/40/489756940.db2.gz NUTIFHHCAGTELK-HNNXBMFYSA-N 2 1 350.463 0.482 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633762 489758825 /nfs/dbraw/zinc/75/88/25/489758825.db2.gz QDFBQRFBOIFQAP-ZBFHGGJFSA-N 2 1 364.465 0.660 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000418856275 489759381 /nfs/dbraw/zinc/75/93/81/489759381.db2.gz WNHFVTNKTOZHCY-ZBCRRDGASA-N 2 1 362.474 0.800 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642071 489760169 /nfs/dbraw/zinc/76/01/69/489760169.db2.gz UPCSMQVGOUPZIQ-QWHCGFSZSA-N 2 1 362.430 0.529 20 0 FCADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376609792 489760885 /nfs/dbraw/zinc/76/08/85/489760885.db2.gz BVQDQESXTBETLR-XYPWUTKMSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376609792 489760888 /nfs/dbraw/zinc/76/08/88/489760888.db2.gz BVQDQESXTBETLR-XYPWUTKMSA-N 2 1 351.495 0.417 20 0 FCADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638074 489760992 /nfs/dbraw/zinc/76/09/92/489760992.db2.gz CBXSOOQWGNFFSN-DOTOQJQBSA-N 2 1 374.489 0.059 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418860674 489762202 /nfs/dbraw/zinc/76/22/02/489762202.db2.gz MALUNBIVTNGMCT-YLJYHZDGSA-N 2 1 356.470 0.589 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418861106 489762516 /nfs/dbraw/zinc/76/25/16/489762516.db2.gz MLZNVINPUHJKBU-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418865119 489764430 /nfs/dbraw/zinc/76/44/30/489764430.db2.gz LRLVVONVQWRPAT-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671068 489765045 /nfs/dbraw/zinc/76/50/45/489765045.db2.gz XBQDUXGDXDGGIB-GJZGRUSLSA-N 2 1 367.494 0.001 20 0 FCADMP CC(C)(C[NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000430743082 489768946 /nfs/dbraw/zinc/76/89/46/489768946.db2.gz ZZJMIZZKNACEAF-UHFFFAOYSA-N 2 1 362.474 0.949 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)COC2C[NH2+]C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000430788540 489770754 /nfs/dbraw/zinc/77/07/54/489770754.db2.gz CIGJUKZVGYLYNG-MRXNPFEDSA-N 2 1 360.458 0.780 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418880701 489773670 /nfs/dbraw/zinc/77/36/70/489773670.db2.gz PWEQZPIJIITVEM-VGWMRTNUSA-N 2 1 350.507 0.951 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430880600 489773929 /nfs/dbraw/zinc/77/39/29/489773929.db2.gz USSOAALCAVHPDW-JKSUJKDBSA-N 2 1 360.458 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H](C)[NH2+]1 ZINC000418884976 489774127 /nfs/dbraw/zinc/77/41/27/489774127.db2.gz XSWSTYOEVVQIRE-RVKKMQEKSA-N 2 1 374.485 0.078 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000430865727 489774793 /nfs/dbraw/zinc/77/47/93/489774793.db2.gz DORBDMQZRJSJBF-MQVJKMGUSA-N 2 1 374.489 0.516 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430878765 489774801 /nfs/dbraw/zinc/77/48/01/489774801.db2.gz PRCARCHYQWGSES-HMQMGEFJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883638 489774924 /nfs/dbraw/zinc/77/49/24/489774924.db2.gz VLBFRVVBSRLBLJ-WBVHZDCISA-N 2 1 368.522 0.627 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418885938 489775908 /nfs/dbraw/zinc/77/59/08/489775908.db2.gz ZPUMLZDQMUTILO-OWCLPIDISA-N 2 1 354.495 0.237 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000459873860 489776028 /nfs/dbraw/zinc/77/60/28/489776028.db2.gz WOPDXXOJXCQXAY-UHFFFAOYSA-N 2 1 368.522 0.356 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000430914196 489776651 /nfs/dbraw/zinc/77/66/51/489776651.db2.gz IEZLFIFJUOKULL-SFHVURJKSA-N 2 1 362.474 0.708 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000490640957 489778150 /nfs/dbraw/zinc/77/81/50/489778150.db2.gz OBMPFDKYWTUUSW-HZPDHXFCSA-N 2 1 356.511 0.584 20 0 FCADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430930316 489778518 /nfs/dbraw/zinc/77/85/18/489778518.db2.gz SHCHHWOANWWICV-GFCCVEGCSA-N 2 1 354.476 0.592 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC1 ZINC000430952538 489780679 /nfs/dbraw/zinc/78/06/79/489780679.db2.gz QBCMFFYCZSDHFH-UHFFFAOYSA-N 2 1 362.474 0.835 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000418911907 489787338 /nfs/dbraw/zinc/78/73/38/489787338.db2.gz CNXRXLWZDGWXPQ-QGZVFWFLSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CC[NH2+]CC1 ZINC000431082354 489787884 /nfs/dbraw/zinc/78/78/84/489787884.db2.gz IJFPTEVEDCMZME-UHFFFAOYSA-N 2 1 362.474 0.631 20 0 FCADMP CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CC[NH2+]CC1 ZINC000431082354 489787889 /nfs/dbraw/zinc/78/78/89/489787889.db2.gz IJFPTEVEDCMZME-UHFFFAOYSA-N 2 1 362.474 0.631 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000418911857 489788107 /nfs/dbraw/zinc/78/81/07/489788107.db2.gz CBDWGSFZKSFYQB-OWCLPIDISA-N 2 1 354.495 0.045 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000459920168 489793018 /nfs/dbraw/zinc/79/30/18/489793018.db2.gz MVEDZTSSQWDJMD-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H]1C ZINC000459985446 489809479 /nfs/dbraw/zinc/80/94/79/489809479.db2.gz DMIWFMARXGTCKO-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419019386 489820188 /nfs/dbraw/zinc/82/01/88/489820188.db2.gz DIRBYJVLAISCSI-CBBWQLFWSA-N 2 1 354.495 0.452 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000419023518 489821550 /nfs/dbraw/zinc/82/15/50/489821550.db2.gz JUUGYBDHQOEYCG-CQSZACIVSA-N 2 1 359.405 0.886 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1F ZINC000419028898 489824128 /nfs/dbraw/zinc/82/41/28/489824128.db2.gz QXLKJAOKJASYOP-HNNXBMFYSA-N 2 1 359.405 0.790 20 0 FCADMP CCn1ncnc1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000475419324 489825469 /nfs/dbraw/zinc/82/54/69/489825469.db2.gz FGKJOGRKADYXSW-HNNXBMFYSA-N 2 1 351.499 0.856 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571031765 491281435 /nfs/dbraw/zinc/28/14/35/491281435.db2.gz YYBDSLXBESMTQM-DOTOQJQBSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571031765 491281437 /nfs/dbraw/zinc/28/14/37/491281437.db2.gz YYBDSLXBESMTQM-DOTOQJQBSA-N 2 1 374.485 0.390 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000419034211 489827837 /nfs/dbraw/zinc/82/78/37/489827837.db2.gz DITGMQYADMTMGP-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000419040140 489830011 /nfs/dbraw/zinc/83/00/11/489830011.db2.gz MDHSTXUGNMSKEK-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419047654 489834221 /nfs/dbraw/zinc/83/42/21/489834221.db2.gz UALJTDDKPILIFW-NXHRZFHOSA-N 2 1 374.485 0.433 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000460057660 489837147 /nfs/dbraw/zinc/83/71/47/489837147.db2.gz JDBIXESRLHLYDK-OAGGEKHMSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419061094 489839480 /nfs/dbraw/zinc/83/94/80/489839480.db2.gz FTPNXBPUDNGJHW-LJISPDSOSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419061094 489839483 /nfs/dbraw/zinc/83/94/83/489839483.db2.gz FTPNXBPUDNGJHW-LJISPDSOSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000460065105 489839775 /nfs/dbraw/zinc/83/97/75/489839775.db2.gz PZUIRDYTYHHLAK-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066083 489841510 /nfs/dbraw/zinc/84/15/10/489841510.db2.gz DYYPRASLEANNNW-CRAIPNDOSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066083 489841515 /nfs/dbraw/zinc/84/15/15/489841515.db2.gz DYYPRASLEANNNW-CRAIPNDOSA-N 2 1 374.485 0.392 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000460072827 489842500 /nfs/dbraw/zinc/84/25/00/489842500.db2.gz ZXAVWHPQWGEWOH-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@H+]1C ZINC000460072827 489842504 /nfs/dbraw/zinc/84/25/04/489842504.db2.gz ZXAVWHPQWGEWOH-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419073855 489846340 /nfs/dbraw/zinc/84/63/40/489846340.db2.gz CXUKXUBKWHPTPE-OAGGEKHMSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074157 489846736 /nfs/dbraw/zinc/84/67/36/489846736.db2.gz NCZARTDPHZIQAD-RDTXWAMCSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074157 489846739 /nfs/dbraw/zinc/84/67/39/489846739.db2.gz NCZARTDPHZIQAD-RDTXWAMCSA-N 2 1 374.485 0.377 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460082170 489847030 /nfs/dbraw/zinc/84/70/30/489847030.db2.gz ZVAOGUJHVSSPNQ-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077572 489847228 /nfs/dbraw/zinc/84/72/28/489847228.db2.gz RKODJQKNVAVGPL-YOEHRIQHSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077572 489847231 /nfs/dbraw/zinc/84/72/31/489847231.db2.gz RKODJQKNVAVGPL-YOEHRIQHSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077569 489847343 /nfs/dbraw/zinc/84/73/43/489847343.db2.gz RKODJQKNVAVGPL-PBHICJAKSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077569 489847346 /nfs/dbraw/zinc/84/73/46/489847346.db2.gz RKODJQKNVAVGPL-PBHICJAKSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000419076141 489847698 /nfs/dbraw/zinc/84/76/98/489847698.db2.gz PJCOFEVSHFWHEN-CQSZACIVSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000419076141 489847703 /nfs/dbraw/zinc/84/77/03/489847703.db2.gz PJCOFEVSHFWHEN-CQSZACIVSA-N 2 1 362.474 0.377 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419078806 489848025 /nfs/dbraw/zinc/84/80/25/489848025.db2.gz LRVVRCNURXXIEY-INIZCTEOSA-N 2 1 368.522 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000419090249 489852264 /nfs/dbraw/zinc/85/22/64/489852264.db2.gz UUSQIVHWAISXOL-GASCZTMLSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000419090249 489852267 /nfs/dbraw/zinc/85/22/67/489852267.db2.gz UUSQIVHWAISXOL-GASCZTMLSA-N 2 1 368.522 0.496 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419092441 489853289 /nfs/dbraw/zinc/85/32/89/489853289.db2.gz XJHWUBNUALHIOT-ZIAGYGMSSA-N 2 1 356.511 0.624 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102952 489855727 /nfs/dbraw/zinc/85/57/27/489855727.db2.gz RSYIMTOQEQVLRI-FZMZJTMJSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419102952 489855731 /nfs/dbraw/zinc/85/57/31/489855731.db2.gz RSYIMTOQEQVLRI-FZMZJTMJSA-N 2 1 372.391 0.859 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)[NH+]1CCOCC1 ZINC000419111984 489859656 /nfs/dbraw/zinc/85/96/56/489859656.db2.gz DVUIJUVRCDWEQY-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266223 489876899 /nfs/dbraw/zinc/87/68/99/489876899.db2.gz JDJYTPLCUWKXAY-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420001516 489878108 /nfs/dbraw/zinc/87/81/08/489878108.db2.gz QBPROOAAHIYHHK-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420001516 489878112 /nfs/dbraw/zinc/87/81/12/489878112.db2.gz QBPROOAAHIYHHK-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420005786 489879358 /nfs/dbraw/zinc/87/93/58/489879358.db2.gz XCYITNPEMYAXCD-SFHVURJKSA-N 2 1 358.486 0.632 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013514 489880828 /nfs/dbraw/zinc/88/08/28/489880828.db2.gz JDYZSFHEGOIDTD-CVEARBPZSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC000433451432 489885410 /nfs/dbraw/zinc/88/54/10/489885410.db2.gz BVZZMEZZQHJCPL-ROUUACIJSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420043312 489891955 /nfs/dbraw/zinc/89/19/55/489891955.db2.gz RSAHSIMEDJIUAO-RRFJBIMHSA-N 2 1 354.495 0.548 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608757 489892944 /nfs/dbraw/zinc/89/29/44/489892944.db2.gz LPTUGCWJQCPXEI-DOTOQJQBSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433608757 489892947 /nfs/dbraw/zinc/89/29/47/489892947.db2.gz LPTUGCWJQCPXEI-DOTOQJQBSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433608757 489892950 /nfs/dbraw/zinc/89/29/50/489892950.db2.gz LPTUGCWJQCPXEI-DOTOQJQBSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608761 489893182 /nfs/dbraw/zinc/89/31/82/489893182.db2.gz LPTUGCWJQCPXEI-RDJZCZTQSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433608761 489893186 /nfs/dbraw/zinc/89/31/86/489893186.db2.gz LPTUGCWJQCPXEI-RDJZCZTQSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433608761 489893193 /nfs/dbraw/zinc/89/31/93/489893193.db2.gz LPTUGCWJQCPXEI-RDJZCZTQSA-N 2 1 365.522 0.890 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420053092 489894512 /nfs/dbraw/zinc/89/45/12/489894512.db2.gz GDYPRPVQKYDBDG-JSGCOSHPSA-N 2 1 351.451 0.269 20 0 FCADMP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420060794 489897755 /nfs/dbraw/zinc/89/77/55/489897755.db2.gz KUJYZFSTJCSRKU-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@H]2C1 ZINC000420064805 489900323 /nfs/dbraw/zinc/90/03/23/489900323.db2.gz WOIGORCWRNKQPA-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000420085489 489906418 /nfs/dbraw/zinc/90/64/18/489906418.db2.gz XNHMFKJJQCWCDS-AWEZNQCLSA-N 2 1 354.495 0.332 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000494713824 489906875 /nfs/dbraw/zinc/90/68/75/489906875.db2.gz VLTUEVGZGHTJJR-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000420099389 489911262 /nfs/dbraw/zinc/91/12/62/489911262.db2.gz JNFCWPCKQJOGFQ-CQSZACIVSA-N 2 1 374.485 0.210 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000420099389 489911268 /nfs/dbraw/zinc/91/12/68/489911268.db2.gz JNFCWPCKQJOGFQ-CQSZACIVSA-N 2 1 374.485 0.210 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420101721 489912249 /nfs/dbraw/zinc/91/22/49/489912249.db2.gz MDXDIOGNPANNKJ-IBGZPJMESA-N 2 1 368.522 0.309 20 0 FCADMP CCC(CC)[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000377535179 489917016 /nfs/dbraw/zinc/91/70/16/489917016.db2.gz CMRYNMBMLFAZPI-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000377560038 489919488 /nfs/dbraw/zinc/91/94/88/489919488.db2.gz FRFKEIUQXNMOLZ-BDXSIMOUSA-N 2 1 352.523 0.626 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420124957 489920791 /nfs/dbraw/zinc/92/07/91/489920791.db2.gz PIBALSNRUVFNAI-QBPKDAKJSA-N 2 1 368.522 0.720 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420124959 489920944 /nfs/dbraw/zinc/92/09/44/489920944.db2.gz PIBALSNRUVFNAI-YYIAUSFCSA-N 2 1 368.522 0.720 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420124959 489920948 /nfs/dbraw/zinc/92/09/48/489920948.db2.gz PIBALSNRUVFNAI-YYIAUSFCSA-N 2 1 368.522 0.720 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000420131261 489923617 /nfs/dbraw/zinc/92/36/17/489923617.db2.gz WZTOZSWQCWMKSR-LSDHHAIUSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420138757 489926734 /nfs/dbraw/zinc/92/67/34/489926734.db2.gz NNOQZRNKGLMIOI-BFYDXBDKSA-N 2 1 364.490 0.123 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000495125618 489927504 /nfs/dbraw/zinc/92/75/04/489927504.db2.gz AXOGKRGJOFMYBJ-HZPDHXFCSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000420141827 489928758 /nfs/dbraw/zinc/92/87/58/489928758.db2.gz ZORRNDGOLHVASW-CABCVRRESA-N 2 1 364.515 0.692 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC[C@H]21 ZINC000420157832 489935070 /nfs/dbraw/zinc/93/50/70/489935070.db2.gz GUWDRVJBZYMXTN-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420160363 489936768 /nfs/dbraw/zinc/93/67/68/489936768.db2.gz UPUYUAMEQZWMEO-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420168451 489937942 /nfs/dbraw/zinc/93/79/42/489937942.db2.gz KJSCMKADASZCFR-ZACQAIPSSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420169702 489939097 /nfs/dbraw/zinc/93/90/97/489939097.db2.gz MLQVFDWFGOABQF-OAHLLOKOSA-N 2 1 368.428 0.677 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420169702 489939100 /nfs/dbraw/zinc/93/91/00/489939100.db2.gz MLQVFDWFGOABQF-OAHLLOKOSA-N 2 1 368.428 0.677 20 0 FCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+])c1 ZINC000420182314 489943765 /nfs/dbraw/zinc/94/37/65/489943765.db2.gz ZJKTYXGKOCRGDO-UHFFFAOYSA-N 2 1 356.417 0.595 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420185114 489944094 /nfs/dbraw/zinc/94/40/94/489944094.db2.gz JKNLWUJUAUVLHL-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)CCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434709287 489950792 /nfs/dbraw/zinc/95/07/92/489950792.db2.gz FUOSAYMYVMEEFF-RTBURBONSA-N 2 1 356.555 0.682 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)CCC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434709287 489950793 /nfs/dbraw/zinc/95/07/93/489950793.db2.gz FUOSAYMYVMEEFF-RTBURBONSA-N 2 1 356.555 0.682 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000420212199 489953617 /nfs/dbraw/zinc/95/36/17/489953617.db2.gz TWNCYCMRAPRVRS-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000420212199 489953623 /nfs/dbraw/zinc/95/36/23/489953623.db2.gz TWNCYCMRAPRVRS-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP Cn1cc(-c2cc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)on2)cn1 ZINC000420289337 489960174 /nfs/dbraw/zinc/96/01/74/489960174.db2.gz IAWMYLKFXRYTPX-CQSZACIVSA-N 2 1 358.446 0.719 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420319764 489962397 /nfs/dbraw/zinc/96/23/97/489962397.db2.gz SCULWIKRPWANDL-AWEZNQCLSA-N 2 1 363.462 0.857 20 0 FCADMP [NH3+]CCC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)CC1CCCC1 ZINC000420313424 489962733 /nfs/dbraw/zinc/96/27/33/489962733.db2.gz JVORFBIPEOYIJK-UHFFFAOYSA-N 2 1 360.506 0.966 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(Cl)cc1 ZINC000420345684 489965345 /nfs/dbraw/zinc/96/53/45/489965345.db2.gz BCDVDSMXLGSOTG-INIZCTEOSA-N 2 1 366.893 0.815 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(Cl)cc1 ZINC000420345684 489965348 /nfs/dbraw/zinc/96/53/48/489965348.db2.gz BCDVDSMXLGSOTG-INIZCTEOSA-N 2 1 366.893 0.815 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000420351838 489966337 /nfs/dbraw/zinc/96/63/37/489966337.db2.gz XUIGYNACZQNQSG-MRXNPFEDSA-N 2 1 350.438 0.300 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000420351838 489966341 /nfs/dbraw/zinc/96/63/41/489966341.db2.gz XUIGYNACZQNQSG-MRXNPFEDSA-N 2 1 350.438 0.300 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373811 489968509 /nfs/dbraw/zinc/96/85/09/489968509.db2.gz NGWMVYBKGMRXKS-PKOBYXMFSA-N 2 1 352.523 0.535 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000477612894 489977580 /nfs/dbraw/zinc/97/75/80/489977580.db2.gz GNJWGAWBEWPUHK-UHFFFAOYSA-N 2 1 365.478 0.315 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]12 ZINC000435380518 490000295 /nfs/dbraw/zinc/00/02/95/490000295.db2.gz OMDYOQLBVMRNDN-DJIMGWMZSA-N 2 1 365.499 0.877 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]12 ZINC000435380518 490000298 /nfs/dbraw/zinc/00/02/98/490000298.db2.gz OMDYOQLBVMRNDN-DJIMGWMZSA-N 2 1 365.499 0.877 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCCOCC3)CC2)C1 ZINC000463080920 490001167 /nfs/dbraw/zinc/00/11/67/490001167.db2.gz AOSHDSPSMNSBLZ-IBGZPJMESA-N 2 1 354.539 0.436 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@@H+]3CCCOCC3)CC2)C1 ZINC000463080920 490001170 /nfs/dbraw/zinc/00/11/70/490001170.db2.gz AOSHDSPSMNSBLZ-IBGZPJMESA-N 2 1 354.539 0.436 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@H+]3CCCOCC3)CC2)C1 ZINC000463080920 490001172 /nfs/dbraw/zinc/00/11/72/490001172.db2.gz AOSHDSPSMNSBLZ-IBGZPJMESA-N 2 1 354.539 0.436 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478402689 490018036 /nfs/dbraw/zinc/01/80/36/490018036.db2.gz CGCRRLSOKUKLFW-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccnc(C[NH3+])c3)CC2)C1 ZINC000463494327 490020893 /nfs/dbraw/zinc/02/08/93/490020893.db2.gz NQWOHETVLBODDE-SFHVURJKSA-N 2 1 361.490 0.407 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378316236 490047444 /nfs/dbraw/zinc/04/74/44/490047444.db2.gz NGQKWRDORYYKCN-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906203 490052646 /nfs/dbraw/zinc/05/26/46/490052646.db2.gz PPDCUSPYDNKRPY-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000478906203 490052648 /nfs/dbraw/zinc/05/26/48/490052648.db2.gz PPDCUSPYDNKRPY-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000478906203 490052651 /nfs/dbraw/zinc/05/26/51/490052651.db2.gz PPDCUSPYDNKRPY-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000442341743 490059257 /nfs/dbraw/zinc/05/92/57/490059257.db2.gz QKSXFWDKPVHATI-CYBMUJFWSA-N 2 1 354.414 0.972 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556122772 491296520 /nfs/dbraw/zinc/29/65/20/491296520.db2.gz DTOGHOYWWVFOLW-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000378425134 490062681 /nfs/dbraw/zinc/06/26/81/490062681.db2.gz SQCKNOOMXRZGGS-MSOLQXFVSA-N 2 1 374.485 0.744 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057610 490066277 /nfs/dbraw/zinc/06/62/77/490066277.db2.gz HIQHQQSFBJZWJR-OAHLLOKOSA-N 2 1 362.474 0.964 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)CC(O)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422042255 490130088 /nfs/dbraw/zinc/13/00/88/490130088.db2.gz VSGYYVBORXKCCJ-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422042251 490130681 /nfs/dbraw/zinc/13/06/81/490130681.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 2 1 368.522 0.233 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422042251 490130691 /nfs/dbraw/zinc/13/06/91/490130691.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 2 1 368.522 0.233 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422042251 490130702 /nfs/dbraw/zinc/13/07/02/490130702.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 2 1 368.522 0.233 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000479917561 490137942 /nfs/dbraw/zinc/13/79/42/490137942.db2.gz BPVDXMLCSARLFH-OAHLLOKOSA-N 2 1 370.538 0.384 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446051617 490150456 /nfs/dbraw/zinc/15/04/56/490150456.db2.gz IEYWGVOQHHTXOZ-INIZCTEOSA-N 2 1 361.490 0.091 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947093 490155516 /nfs/dbraw/zinc/15/55/16/490155516.db2.gz HQQWTCJKDBKBFD-IAGOWNOFSA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947093 490155523 /nfs/dbraw/zinc/15/55/23/490155523.db2.gz HQQWTCJKDBKBFD-IAGOWNOFSA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947093 490155530 /nfs/dbraw/zinc/15/55/30/490155530.db2.gz HQQWTCJKDBKBFD-IAGOWNOFSA-N 2 1 355.527 0.280 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCOCC1 ZINC000506986988 490160896 /nfs/dbraw/zinc/16/08/96/490160896.db2.gz NRHVJIRNTWDWJT-UHFFFAOYSA-N 2 1 360.458 0.798 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCOCC1 ZINC000506986988 490160901 /nfs/dbraw/zinc/16/09/01/490160901.db2.gz NRHVJIRNTWDWJT-UHFFFAOYSA-N 2 1 360.458 0.798 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000466224594 490171292 /nfs/dbraw/zinc/17/12/92/490171292.db2.gz KMMDWJXZCCFHOI-PBHICJAKSA-N 2 1 365.522 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000466224594 490171308 /nfs/dbraw/zinc/17/13/08/490171308.db2.gz KMMDWJXZCCFHOI-PBHICJAKSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000520695001 490180694 /nfs/dbraw/zinc/18/06/94/490180694.db2.gz KDHAXYAFLJSWKJ-DWRORGKVSA-N 2 1 357.539 0.481 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@H](C)C1 ZINC000497610604 490183564 /nfs/dbraw/zinc/18/35/64/490183564.db2.gz NKBKFNRKNVLKDM-KZNAEPCWSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@H](C)C1 ZINC000497610604 490183569 /nfs/dbraw/zinc/18/35/69/490183569.db2.gz NKBKFNRKNVLKDM-KZNAEPCWSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000497790937 490216565 /nfs/dbraw/zinc/21/65/65/490216565.db2.gz OBIYNWDJFZQHLK-INIZCTEOSA-N 2 1 355.504 0.905 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000480637118 490219354 /nfs/dbraw/zinc/21/93/54/490219354.db2.gz AWKWHQJYMHYSLG-SWLSCSKDSA-N 2 1 357.524 0.823 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000571446385 491308743 /nfs/dbraw/zinc/30/87/43/491308743.db2.gz SZDZNLKZZKLTCE-APHBMKBZSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000571446385 491308744 /nfs/dbraw/zinc/30/87/44/491308744.db2.gz SZDZNLKZZKLTCE-APHBMKBZSA-N 2 1 363.458 0.998 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466923195 490225973 /nfs/dbraw/zinc/22/59/73/490225973.db2.gz ARTNFRZWUOROEW-UHFFFAOYSA-N 2 1 355.479 0.585 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000571471106 491310089 /nfs/dbraw/zinc/31/00/89/491310089.db2.gz IWILATSYKOKNAS-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000571471106 491310090 /nfs/dbraw/zinc/31/00/90/491310090.db2.gz IWILATSYKOKNAS-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000571471106 491310091 /nfs/dbraw/zinc/31/00/91/491310091.db2.gz IWILATSYKOKNAS-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000571521014 491313057 /nfs/dbraw/zinc/31/30/57/491313057.db2.gz PNRAAARIGVTBHI-XLIONFOSSA-N 2 1 360.502 0.939 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344038 490269457 /nfs/dbraw/zinc/26/94/57/490269457.db2.gz USASOMCAOFDZBE-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344038 490269461 /nfs/dbraw/zinc/26/94/61/490269461.db2.gz USASOMCAOFDZBE-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344038 490269468 /nfs/dbraw/zinc/26/94/68/490269468.db2.gz USASOMCAOFDZBE-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000498236652 490275850 /nfs/dbraw/zinc/27/58/50/490275850.db2.gz AFOVMIQDDXDVAZ-LSDHHAIUSA-N 2 1 353.511 0.663 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000498236652 490275854 /nfs/dbraw/zinc/27/58/54/490275854.db2.gz AFOVMIQDDXDVAZ-LSDHHAIUSA-N 2 1 353.511 0.663 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1C ZINC000498240000 490275966 /nfs/dbraw/zinc/27/59/66/490275966.db2.gz PKVRTIFMLMYJDN-HRCADAONSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1C ZINC000498240000 490275969 /nfs/dbraw/zinc/27/59/69/490275969.db2.gz PKVRTIFMLMYJDN-HRCADAONSA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1C ZINC000498240000 490275972 /nfs/dbraw/zinc/27/59/72/490275972.db2.gz PKVRTIFMLMYJDN-HRCADAONSA-N 2 1 353.511 0.698 20 0 FCADMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000521650922 490285775 /nfs/dbraw/zinc/28/57/75/490285775.db2.gz JKULZQWYCBUEQN-INIZCTEOSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000533815241 490285951 /nfs/dbraw/zinc/28/59/51/490285951.db2.gz KPCJREUQOGWFSM-QKPAOTATSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000533815241 490285958 /nfs/dbraw/zinc/28/59/58/490285958.db2.gz KPCJREUQOGWFSM-QKPAOTATSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000533815241 490285964 /nfs/dbraw/zinc/28/59/64/490285964.db2.gz KPCJREUQOGWFSM-QKPAOTATSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000533815236 490286718 /nfs/dbraw/zinc/28/67/18/490286718.db2.gz KPCJREUQOGWFSM-GEEKYZPCSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000533815236 490286722 /nfs/dbraw/zinc/28/67/22/490286722.db2.gz KPCJREUQOGWFSM-GEEKYZPCSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000533815236 490286727 /nfs/dbraw/zinc/28/67/27/490286727.db2.gz KPCJREUQOGWFSM-GEEKYZPCSA-N 2 1 370.563 0.917 20 0 FCADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820027 490288094 /nfs/dbraw/zinc/28/80/94/490288094.db2.gz RDXWHRHLNGZHBG-DLBZAZTESA-N 2 1 359.474 0.812 20 0 FCADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820027 490288097 /nfs/dbraw/zinc/28/80/97/490288097.db2.gz RDXWHRHLNGZHBG-DLBZAZTESA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820027 490288099 /nfs/dbraw/zinc/28/80/99/490288099.db2.gz RDXWHRHLNGZHBG-DLBZAZTESA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820027 490288102 /nfs/dbraw/zinc/28/81/02/490288102.db2.gz RDXWHRHLNGZHBG-DLBZAZTESA-N 2 1 359.474 0.812 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000422403150 490301052 /nfs/dbraw/zinc/30/10/52/490301052.db2.gz HKDZGMQBCSBAGR-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000422403150 490301055 /nfs/dbraw/zinc/30/10/55/490301055.db2.gz HKDZGMQBCSBAGR-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC000422403150 490301059 /nfs/dbraw/zinc/30/10/59/490301059.db2.gz HKDZGMQBCSBAGR-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000422403150 490301063 /nfs/dbraw/zinc/30/10/63/490301063.db2.gz HKDZGMQBCSBAGR-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000447954356 490305068 /nfs/dbraw/zinc/30/50/68/490305068.db2.gz LFXAEDWCCBPJGL-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000447954356 490305075 /nfs/dbraw/zinc/30/50/75/490305075.db2.gz LFXAEDWCCBPJGL-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000447954356 490305083 /nfs/dbraw/zinc/30/50/83/490305083.db2.gz LFXAEDWCCBPJGL-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437170 490319370 /nfs/dbraw/zinc/31/93/70/490319370.db2.gz YZGDLFZDVFRUCJ-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000422437170 490319382 /nfs/dbraw/zinc/31/93/82/490319382.db2.gz YZGDLFZDVFRUCJ-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000422437170 490319389 /nfs/dbraw/zinc/31/93/89/490319389.db2.gz YZGDLFZDVFRUCJ-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CC1 ZINC000422456939 490330305 /nfs/dbraw/zinc/33/03/05/490330305.db2.gz RVVOGWBEKXXMEE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C1CC1 ZINC000422456939 490330314 /nfs/dbraw/zinc/33/03/14/490330314.db2.gz RVVOGWBEKXXMEE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C1CC1 ZINC000422456939 490330319 /nfs/dbraw/zinc/33/03/19/490330319.db2.gz RVVOGWBEKXXMEE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@@H]1C ZINC000483684758 490337573 /nfs/dbraw/zinc/33/75/73/490337573.db2.gz SUJLIRLOHPHJGP-HOCLYGCPSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C[C@@H]1C ZINC000483684758 490337581 /nfs/dbraw/zinc/33/75/81/490337581.db2.gz SUJLIRLOHPHJGP-HOCLYGCPSA-N 2 1 353.511 0.711 20 0 FCADMP CC[NH+]1CCCN(c2nc(NC)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000467781566 490338559 /nfs/dbraw/zinc/33/85/59/490338559.db2.gz BPNLCYRYDUFBQV-UHFFFAOYSA-N 2 1 362.526 0.399 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000483803364 490345978 /nfs/dbraw/zinc/34/59/78/490345978.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 1 351.470 0.803 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483803364 490345983 /nfs/dbraw/zinc/34/59/83/490345983.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 1 351.470 0.803 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483803364 490345988 /nfs/dbraw/zinc/34/59/88/490345988.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 1 351.470 0.803 20 0 FCADMP C[N@H+]1CCCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000508719678 490353642 /nfs/dbraw/zinc/35/36/42/490353642.db2.gz OWNSIGYHZPQONI-UHFFFAOYSA-N 2 1 352.523 0.775 20 0 FCADMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000422492565 490356352 /nfs/dbraw/zinc/35/63/52/490356352.db2.gz PBAWRIORPINMIA-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000422492565 490356362 /nfs/dbraw/zinc/35/63/62/490356362.db2.gz PBAWRIORPINMIA-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000498946851 490368619 /nfs/dbraw/zinc/36/86/19/490368619.db2.gz FXLATCPSDBANDQ-INIZCTEOSA-N 2 1 350.507 0.943 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953828 490371272 /nfs/dbraw/zinc/37/12/72/490371272.db2.gz DSRJYBNVGUKPLR-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953828 490371277 /nfs/dbraw/zinc/37/12/77/490371277.db2.gz DSRJYBNVGUKPLR-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953828 490371283 /nfs/dbraw/zinc/37/12/83/490371283.db2.gz DSRJYBNVGUKPLR-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCN(C(C)=O)C3)CC2)CC1 ZINC000571654931 491321145 /nfs/dbraw/zinc/32/11/45/491321145.db2.gz UHZZKZKNAZZUFF-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410992248 490376554 /nfs/dbraw/zinc/37/65/54/490376554.db2.gz WOUDNOUPRGZVCE-IRXDYDNUSA-N 2 1 373.501 0.754 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410992248 490376558 /nfs/dbraw/zinc/37/65/58/490376558.db2.gz WOUDNOUPRGZVCE-IRXDYDNUSA-N 2 1 373.501 0.754 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C)n1 ZINC000411399460 490449846 /nfs/dbraw/zinc/44/98/46/490449846.db2.gz LMHLHLFIWPKHNH-HNNXBMFYSA-N 2 1 362.478 0.598 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681890 491327412 /nfs/dbraw/zinc/32/74/12/491327412.db2.gz AWSMLZBQXHRADG-IAGOWNOFSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681890 491327414 /nfs/dbraw/zinc/32/74/14/491327414.db2.gz AWSMLZBQXHRADG-IAGOWNOFSA-N 2 1 350.507 0.526 20 0 FCADMP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC000468945572 490466853 /nfs/dbraw/zinc/46/68/53/490466853.db2.gz LFLGKFDFGGJQPU-GOSISDBHSA-N 2 1 365.474 0.590 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC000468945572 490466860 /nfs/dbraw/zinc/46/68/60/490466860.db2.gz LFLGKFDFGGJQPU-GOSISDBHSA-N 2 1 365.474 0.590 20 0 FCADMP COCC[NH+](C)CCOc1cccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000468945572 490466867 /nfs/dbraw/zinc/46/68/67/490466867.db2.gz LFLGKFDFGGJQPU-GOSISDBHSA-N 2 1 365.474 0.590 20 0 FCADMP COCC[NH+](C)CCOc1cccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000468945572 490466874 /nfs/dbraw/zinc/46/68/74/490466874.db2.gz LFLGKFDFGGJQPU-GOSISDBHSA-N 2 1 365.474 0.590 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422759572 490472293 /nfs/dbraw/zinc/47/22/93/490472293.db2.gz LAIYDXPMHVOERY-LSDHHAIUSA-N 2 1 354.520 0.838 20 0 FCADMP CCNc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)nc(NC(C)(C)C)[nH+]1 ZINC000450592898 490476625 /nfs/dbraw/zinc/47/66/25/490476625.db2.gz HXAORUKDTFOOLO-ZDUSSCGKSA-N 2 1 351.499 0.616 20 0 FCADMP CCNc1nc(NC[C@@H]2CCC[N@H+]2CCCO)nc(NC(C)(C)C)[nH+]1 ZINC000450592898 490476630 /nfs/dbraw/zinc/47/66/30/490476630.db2.gz HXAORUKDTFOOLO-ZDUSSCGKSA-N 2 1 351.499 0.616 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484912519 490477284 /nfs/dbraw/zinc/47/72/84/490477284.db2.gz FMIUPDJOYNIOIB-GUTXKFCHSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484912519 490477289 /nfs/dbraw/zinc/47/72/89/490477289.db2.gz FMIUPDJOYNIOIB-GUTXKFCHSA-N 2 1 368.503 0.050 20 0 FCADMP CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523630536 490480397 /nfs/dbraw/zinc/48/03/97/490480397.db2.gz SFVLXMDDJRNVIS-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CCC(CC)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422822929 490480993 /nfs/dbraw/zinc/48/09/93/490480993.db2.gz BXKOXYVBLZBEOC-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966223 490483036 /nfs/dbraw/zinc/48/30/36/490483036.db2.gz AUPFQMLDAQXUOK-AEFFLSMTSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966223 490483042 /nfs/dbraw/zinc/48/30/42/490483042.db2.gz AUPFQMLDAQXUOK-AEFFLSMTSA-N 2 1 360.502 0.804 20 0 FCADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000571801499 491330134 /nfs/dbraw/zinc/33/01/34/491330134.db2.gz YDGJVFMPGUTASH-FSDCSDTHSA-N 2 1 366.506 0.101 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993187 490488306 /nfs/dbraw/zinc/48/83/06/490488306.db2.gz GZNJBQOZSCQDOE-VQIMIIECSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993187 490488313 /nfs/dbraw/zinc/48/83/13/490488313.db2.gz GZNJBQOZSCQDOE-VQIMIIECSA-N 2 1 372.513 0.935 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000523776745 490495567 /nfs/dbraw/zinc/49/55/67/490495567.db2.gz PHKPEVCJLHBNGT-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP C[NH+]1CCC(CNc2cc(-n3cccn3)nc(N)[nH+]2)(N2CCOCC2)CC1 ZINC000413481594 490502485 /nfs/dbraw/zinc/50/24/85/490502485.db2.gz NSZJRBLLNJTHLZ-UHFFFAOYSA-N 2 1 372.477 0.453 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980171 490510578 /nfs/dbraw/zinc/51/05/78/490510578.db2.gz OSNHDWJAYBPJAK-IAGOWNOFSA-N 2 1 355.523 0.990 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721779 490517091 /nfs/dbraw/zinc/51/70/91/490517091.db2.gz XYKFEJIZOONJCS-DFQSSKMNSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721779 490517095 /nfs/dbraw/zinc/51/70/95/490517095.db2.gz XYKFEJIZOONJCS-DFQSSKMNSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535721779 490517097 /nfs/dbraw/zinc/51/70/97/490517097.db2.gz XYKFEJIZOONJCS-DFQSSKMNSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535721779 490517100 /nfs/dbraw/zinc/51/71/00/490517100.db2.gz XYKFEJIZOONJCS-DFQSSKMNSA-N 2 1 372.513 0.782 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500448841 490517399 /nfs/dbraw/zinc/51/73/99/490517399.db2.gz QDEWYJQQEUAJHY-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423035747 490526180 /nfs/dbraw/zinc/52/61/80/490526180.db2.gz JXTGEHJSGJMSJE-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423038586 490527235 /nfs/dbraw/zinc/52/72/35/490527235.db2.gz OMVSXZXVTIVCGL-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423040066 490527819 /nfs/dbraw/zinc/52/78/19/490527819.db2.gz SJNLXEAWUYDVHF-SJLPKXTDSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423041461 490529212 /nfs/dbraw/zinc/52/92/12/490529212.db2.gz XIEOWBBMVRPXFQ-IBGZPJMESA-N 2 1 372.513 0.831 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423047903 490530506 /nfs/dbraw/zinc/53/05/06/490530506.db2.gz HRDDDVNHHIVACX-MRXNPFEDSA-N 2 1 360.458 0.289 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423047903 490530511 /nfs/dbraw/zinc/53/05/11/490530511.db2.gz HRDDDVNHHIVACX-MRXNPFEDSA-N 2 1 360.458 0.289 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063606 490533203 /nfs/dbraw/zinc/53/32/03/490533203.db2.gz WQSDPMSCCYFCIK-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000485482530 490533882 /nfs/dbraw/zinc/53/38/82/490533882.db2.gz SVAGQBYMDFHTAH-IRXDYDNUSA-N 2 1 366.506 0.081 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000485499883 490536342 /nfs/dbraw/zinc/53/63/42/490536342.db2.gz DRDOKNWBPRLWDV-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499883 490536345 /nfs/dbraw/zinc/53/63/45/490536345.db2.gz DRDOKNWBPRLWDV-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499883 490536349 /nfs/dbraw/zinc/53/63/49/490536349.db2.gz DRDOKNWBPRLWDV-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000485509122 490536915 /nfs/dbraw/zinc/53/69/15/490536915.db2.gz XHQMWJKQCAVTHL-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1CC ZINC000485814985 490560472 /nfs/dbraw/zinc/56/04/72/490560472.db2.gz HNHBXIXOSGFIKT-HOTGVXAUSA-N 2 1 364.494 0.776 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1CC ZINC000485814985 490560475 /nfs/dbraw/zinc/56/04/75/490560475.db2.gz HNHBXIXOSGFIKT-HOTGVXAUSA-N 2 1 364.494 0.776 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830066 490562085 /nfs/dbraw/zinc/56/20/85/490562085.db2.gz MTJOQLDZGABUSO-HOTGVXAUSA-N 2 1 363.510 0.206 20 0 FCADMP C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)CN1CC[NH+](C)CC1 ZINC000536233633 490563411 /nfs/dbraw/zinc/56/34/11/490563411.db2.gz VNLZRBQZXSVHMZ-QGZVFWFLSA-N 2 1 368.570 0.195 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524817934 490563731 /nfs/dbraw/zinc/56/37/31/490563731.db2.gz DRKTWCNQMWGHBL-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524817934 490563735 /nfs/dbraw/zinc/56/37/35/490563735.db2.gz DRKTWCNQMWGHBL-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524817934 490563739 /nfs/dbraw/zinc/56/37/39/490563739.db2.gz DRKTWCNQMWGHBL-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000524851870 490564537 /nfs/dbraw/zinc/56/45/37/490564537.db2.gz KDXCOBKYMDYDNG-GOSISDBHSA-N 2 1 354.539 0.923 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@H](C)C1 ZINC000511265650 490574710 /nfs/dbraw/zinc/57/47/10/490574710.db2.gz BIJZCFVCKHGROH-HUUCEWRRSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@H](C)C1 ZINC000511265650 490574714 /nfs/dbraw/zinc/57/47/14/490574714.db2.gz BIJZCFVCKHGROH-HUUCEWRRSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@H](C)C1 ZINC000511265650 490574717 /nfs/dbraw/zinc/57/47/17/490574717.db2.gz BIJZCFVCKHGROH-HUUCEWRRSA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@H](C)C1 ZINC000511265650 490574722 /nfs/dbraw/zinc/57/47/22/490574722.db2.gz BIJZCFVCKHGROH-HUUCEWRRSA-N 2 1 352.479 0.916 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374321 490600457 /nfs/dbraw/zinc/60/04/57/490600457.db2.gz BIKWYPDUUMNKNK-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374321 490600464 /nfs/dbraw/zinc/60/04/64/490600464.db2.gz BIKWYPDUUMNKNK-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000525374321 490600469 /nfs/dbraw/zinc/60/04/69/490600469.db2.gz BIKWYPDUUMNKNK-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576100 490617846 /nfs/dbraw/zinc/61/78/46/490617846.db2.gz GPWGXGLQQZKHEP-UFYCRDLUSA-N 2 1 372.513 0.955 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576100 490617850 /nfs/dbraw/zinc/61/78/50/490617850.db2.gz GPWGXGLQQZKHEP-UFYCRDLUSA-N 2 1 372.513 0.955 20 0 FCADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576100 490617853 /nfs/dbraw/zinc/61/78/53/490617853.db2.gz GPWGXGLQQZKHEP-UFYCRDLUSA-N 2 1 372.513 0.955 20 0 FCADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@@H]1c1ccccc1 ZINC000501576100 490617857 /nfs/dbraw/zinc/61/78/57/490617857.db2.gz GPWGXGLQQZKHEP-UFYCRDLUSA-N 2 1 372.513 0.955 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550014674 490618947 /nfs/dbraw/zinc/61/89/47/490618947.db2.gz CBVCJFHBFBUDGI-SJORKVTESA-N 2 1 356.470 0.730 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000550014674 490618955 /nfs/dbraw/zinc/61/89/55/490618955.db2.gz CBVCJFHBFBUDGI-SJORKVTESA-N 2 1 356.470 0.730 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550107320 490626065 /nfs/dbraw/zinc/62/60/65/490626065.db2.gz IPAWKVAIAZVTBZ-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000550121593 490626976 /nfs/dbraw/zinc/62/69/76/490626976.db2.gz NBUBPAMCIQENFH-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP Cc1nc2ccccc2n1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000550125319 490628907 /nfs/dbraw/zinc/62/89/07/490628907.db2.gz WNZGODXIRRPBPB-AWEZNQCLSA-N 2 1 355.442 0.814 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645987 490631071 /nfs/dbraw/zinc/63/10/71/490631071.db2.gz MVKHMZJKRPNDNY-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000537159584 490655131 /nfs/dbraw/zinc/65/51/31/490655131.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000537159584 490655136 /nfs/dbraw/zinc/65/51/36/490655136.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000537159584 490655141 /nfs/dbraw/zinc/65/51/41/490655141.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CCn1ccnc(N2CCC([NH2+]C3CC[NH+](CCOC)CC3)CC2)c1=O ZINC000486754764 490667487 /nfs/dbraw/zinc/66/74/87/490667487.db2.gz VFNFENJYTBRNDO-UHFFFAOYSA-N 2 1 363.506 0.932 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487073966 490691248 /nfs/dbraw/zinc/69/12/48/490691248.db2.gz QNTBVSCSAWGDIT-BQULAQKPSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000487073966 490691250 /nfs/dbraw/zinc/69/12/50/490691250.db2.gz QNTBVSCSAWGDIT-BQULAQKPSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000487073966 490691253 /nfs/dbraw/zinc/69/12/53/490691253.db2.gz QNTBVSCSAWGDIT-BQULAQKPSA-N 2 1 364.534 0.830 20 0 FCADMP CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512646912 490691917 /nfs/dbraw/zinc/69/19/17/490691917.db2.gz FHJVMJQFBASBCH-UHFFFAOYSA-N 2 1 355.527 0.160 20 0 FCADMP [NH3+]C1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000512954536 490704944 /nfs/dbraw/zinc/70/49/44/490704944.db2.gz IFSXWSQSERQFJV-UHFFFAOYSA-N 2 1 360.502 0.818 20 0 FCADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@H]2C1 ZINC000502721888 490717832 /nfs/dbraw/zinc/71/78/32/490717832.db2.gz OOIJODBWXOHMPI-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@H]2C1 ZINC000502721888 490717834 /nfs/dbraw/zinc/71/78/34/490717834.db2.gz OOIJODBWXOHMPI-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@H]2C1 ZINC000502721888 490717836 /nfs/dbraw/zinc/71/78/36/490717836.db2.gz OOIJODBWXOHMPI-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@@H+]1CCOC ZINC000557018315 491349799 /nfs/dbraw/zinc/34/97/99/491349799.db2.gz XIAHNFPWDDXMHA-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@H+]1CCOC ZINC000557018315 491349801 /nfs/dbraw/zinc/34/98/01/491349801.db2.gz XIAHNFPWDDXMHA-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP C[NH+]1CC=C(CNC(=O)CSCC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000538337263 490727160 /nfs/dbraw/zinc/72/71/60/490727160.db2.gz KTURIIGAKROHKI-UHFFFAOYSA-N 2 1 366.531 0.476 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCCC1=O ZINC000565069752 491350315 /nfs/dbraw/zinc/35/03/15/491350315.db2.gz KSNOGAHNQRWJJG-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C[C@H](C)O1 ZINC000502919419 490729706 /nfs/dbraw/zinc/72/97/06/490729706.db2.gz OVPPASWWLHXBDR-IYBDPMFKSA-N 2 1 364.494 0.736 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000488073956 490744771 /nfs/dbraw/zinc/74/47/71/490744771.db2.gz MMAWZBDMDNTBMP-ZWKOTPCHSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000488073956 490744777 /nfs/dbraw/zinc/74/47/77/490744777.db2.gz MMAWZBDMDNTBMP-ZWKOTPCHSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000488073956 490744781 /nfs/dbraw/zinc/74/47/81/490744781.db2.gz MMAWZBDMDNTBMP-ZWKOTPCHSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000488073954 490744860 /nfs/dbraw/zinc/74/48/60/490744860.db2.gz MMAWZBDMDNTBMP-QZTJIDSGSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000488073954 490744864 /nfs/dbraw/zinc/74/48/64/490744864.db2.gz MMAWZBDMDNTBMP-QZTJIDSGSA-N 2 1 354.539 0.731 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000488073954 490744868 /nfs/dbraw/zinc/74/48/68/490744868.db2.gz MMAWZBDMDNTBMP-QZTJIDSGSA-N 2 1 354.539 0.731 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]2[NH3+])cn1 ZINC000572148801 491352462 /nfs/dbraw/zinc/35/24/62/491352462.db2.gz CIPKZDZYNKABEO-JKSUJKDBSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]2[NH3+])cn1 ZINC000572148801 491352463 /nfs/dbraw/zinc/35/24/63/491352463.db2.gz CIPKZDZYNKABEO-JKSUJKDBSA-N 2 1 374.514 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CCC1 ZINC000488351133 490756584 /nfs/dbraw/zinc/75/65/84/490756584.db2.gz FBDSUBFROQVDCO-LVQVYYBASA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000488351133 490756586 /nfs/dbraw/zinc/75/65/86/490756586.db2.gz FBDSUBFROQVDCO-LVQVYYBASA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000488351133 490756588 /nfs/dbraw/zinc/75/65/88/490756588.db2.gz FBDSUBFROQVDCO-LVQVYYBASA-N 2 1 350.507 0.537 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000539226948 490771628 /nfs/dbraw/zinc/77/16/28/490771628.db2.gz MCWLAPCOQHVFCW-HNNXBMFYSA-N 2 1 370.494 0.376 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000539226948 490771631 /nfs/dbraw/zinc/77/16/31/490771631.db2.gz MCWLAPCOQHVFCW-HNNXBMFYSA-N 2 1 370.494 0.376 20 0 FCADMP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605241 490774968 /nfs/dbraw/zinc/77/49/68/490774968.db2.gz LLSCPRYZMVVDRJ-HOCLYGCPSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605241 490774972 /nfs/dbraw/zinc/77/49/72/490774972.db2.gz LLSCPRYZMVVDRJ-HOCLYGCPSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605239 490775069 /nfs/dbraw/zinc/77/50/69/490775069.db2.gz LLSCPRYZMVVDRJ-GDBMZVCRSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605239 490775073 /nfs/dbraw/zinc/77/50/73/490775073.db2.gz LLSCPRYZMVVDRJ-GDBMZVCRSA-N 2 1 358.450 0.303 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663242 490779465 /nfs/dbraw/zinc/77/94/65/490779465.db2.gz HZUGRZLEGQFEDN-LSDHHAIUSA-N 2 1 359.465 0.795 20 0 FCADMP [NH3+]CCC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000565149970 491355755 /nfs/dbraw/zinc/35/57/55/491355755.db2.gz FQWXMSYPBGUMQH-QGZVFWFLSA-N 2 1 366.506 0.287 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCCCC1 ZINC000514951227 490799655 /nfs/dbraw/zinc/79/96/55/490799655.db2.gz LFCROGXRCBFSSE-HZPDHXFCSA-N 2 1 351.495 0.594 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C1 ZINC000515062825 490806283 /nfs/dbraw/zinc/80/62/83/490806283.db2.gz FCAPADVAEXCIFI-HNNXBMFYSA-N 2 1 360.458 0.701 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000540328109 490817220 /nfs/dbraw/zinc/81/72/20/490817220.db2.gz IXAAKLBXHDVCBO-HZPDHXFCSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000540328109 490817221 /nfs/dbraw/zinc/81/72/21/490817221.db2.gz IXAAKLBXHDVCBO-HZPDHXFCSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000540328109 490817224 /nfs/dbraw/zinc/81/72/24/490817224.db2.gz IXAAKLBXHDVCBO-HZPDHXFCSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC000540328109 490817225 /nfs/dbraw/zinc/81/72/25/490817225.db2.gz IXAAKLBXHDVCBO-HZPDHXFCSA-N 2 1 354.495 0.996 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528678769 490819049 /nfs/dbraw/zinc/81/90/49/490819049.db2.gz YZSWORKBIIBNSS-HOTGVXAUSA-N 2 1 361.446 0.246 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528678769 490819051 /nfs/dbraw/zinc/81/90/51/490819051.db2.gz YZSWORKBIIBNSS-HOTGVXAUSA-N 2 1 361.446 0.246 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000565184923 491358427 /nfs/dbraw/zinc/35/84/27/491358427.db2.gz DVMLABDTRXWHBE-IAGOWNOFSA-N 2 1 366.506 0.332 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000515620984 490833487 /nfs/dbraw/zinc/83/34/87/490833487.db2.gz RGPJSKSUOSDBOB-RYRKJORJSA-N 2 1 365.522 0.615 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000516027811 490846740 /nfs/dbraw/zinc/84/67/40/490846740.db2.gz TWSSRQXGLRMCKW-NVXWUHKLSA-N 2 1 368.522 0.437 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303546 490848580 /nfs/dbraw/zinc/84/85/80/490848580.db2.gz OIJXUOCYKPVZQM-HOTGVXAUSA-N 2 1 353.511 0.569 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529377923 490858466 /nfs/dbraw/zinc/85/84/66/490858466.db2.gz HXKIPTAFLZSFDJ-HLLBOEOZSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000517595857 490914262 /nfs/dbraw/zinc/91/42/62/490914262.db2.gz JZJGEQMTHQLCDT-HOTGVXAUSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000517595857 490914265 /nfs/dbraw/zinc/91/42/65/490914265.db2.gz JZJGEQMTHQLCDT-HOTGVXAUSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777986 490923794 /nfs/dbraw/zinc/92/37/94/490923794.db2.gz CBOAICNRADNPBT-ZWKOTPCHSA-N 2 1 372.579 0.758 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)[NH+](C)C ZINC000517885082 490923927 /nfs/dbraw/zinc/92/39/27/490923927.db2.gz UZTUAMCYAHPPAJ-GOEBONIOSA-N 2 1 350.463 0.928 20 0 FCADMP O=C(CNC(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[NH2+]CC1 ZINC000518345669 490936958 /nfs/dbraw/zinc/93/69/58/490936958.db2.gz VDSLBVLRLYHHFX-UHFFFAOYSA-N 2 1 365.503 0.050 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054878 490938133 /nfs/dbraw/zinc/93/81/33/490938133.db2.gz XFQKTRZHEQWUNN-FXAWDEMLSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531054878 490938135 /nfs/dbraw/zinc/93/81/35/490938135.db2.gz XFQKTRZHEQWUNN-FXAWDEMLSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531054878 490938136 /nfs/dbraw/zinc/93/81/36/490938136.db2.gz XFQKTRZHEQWUNN-FXAWDEMLSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054881 490938145 /nfs/dbraw/zinc/93/81/45/490938145.db2.gz XFQKTRZHEQWUNN-YLJYHZDGSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531054881 490938147 /nfs/dbraw/zinc/93/81/47/490938147.db2.gz XFQKTRZHEQWUNN-YLJYHZDGSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531054881 490938149 /nfs/dbraw/zinc/93/81/49/490938149.db2.gz XFQKTRZHEQWUNN-YLJYHZDGSA-N 2 1 374.485 0.079 20 0 FCADMP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518399524 490939794 /nfs/dbraw/zinc/93/97/94/490939794.db2.gz VWAQFAOGBNUUDW-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300882 490951389 /nfs/dbraw/zinc/95/13/89/490951389.db2.gz XGKCPJFAUNTEQM-YLJYHZDGSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000531300882 490951392 /nfs/dbraw/zinc/95/13/92/490951392.db2.gz XGKCPJFAUNTEQM-YLJYHZDGSA-N 2 1 361.486 0.708 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCCCCN2CC[NH+](C)CC2)CCSC1 ZINC000531366150 490954642 /nfs/dbraw/zinc/95/46/42/490954642.db2.gz OHYQJCVASKOGRS-QGZVFWFLSA-N 2 1 357.568 0.751 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000519007610 490958973 /nfs/dbraw/zinc/95/89/73/490958973.db2.gz ZITDXTLCYVSLMP-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3CC[N@H+](C)C3)C2(C)C)C1 ZINC000531491533 490960752 /nfs/dbraw/zinc/96/07/52/490960752.db2.gz NSJMVABUMMNFQG-MWABVPJASA-N 2 1 364.534 0.925 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3CC[N@H+](C)C3)C2(C)C)C1 ZINC000531491533 490960753 /nfs/dbraw/zinc/96/07/53/490960753.db2.gz NSJMVABUMMNFQG-MWABVPJASA-N 2 1 364.534 0.925 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2(C)C)C1 ZINC000531491533 490960755 /nfs/dbraw/zinc/96/07/55/490960755.db2.gz NSJMVABUMMNFQG-MWABVPJASA-N 2 1 364.534 0.925 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000519360708 490969559 /nfs/dbraw/zinc/96/95/59/490969559.db2.gz RPTZGHODAWRUOG-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2)CC1 ZINC000519595060 490977865 /nfs/dbraw/zinc/97/78/65/490977865.db2.gz GGOFQADZWPUPNJ-SFHVURJKSA-N 2 1 357.458 0.421 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](CO)O[C@@H](C)C3)CC2)CC1 ZINC000519612361 490979359 /nfs/dbraw/zinc/97/93/59/490979359.db2.gz LUNABBZHCXAPRH-MAUKXSAKSA-N 2 1 353.507 0.791 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531935305 490981187 /nfs/dbraw/zinc/98/11/87/490981187.db2.gz YUEHXSPKPGCUAC-ROUUACIJSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C(=O)NCC[C@H]3C)CC2)CC1 ZINC000519649359 490982150 /nfs/dbraw/zinc/98/21/50/490982150.db2.gz MMINNEWLGCLBAM-PBHICJAKSA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519690218 490984204 /nfs/dbraw/zinc/98/42/04/490984204.db2.gz AVUADEVVECMXKM-QBPKDAKJSA-N 2 1 354.495 0.778 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067610 490985141 /nfs/dbraw/zinc/98/51/41/490985141.db2.gz PSZMVTUJTJUEMP-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067612 490985363 /nfs/dbraw/zinc/98/53/63/490985363.db2.gz PSZMVTUJTJUEMP-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315167 490990870 /nfs/dbraw/zinc/99/08/70/490990870.db2.gz NXRLDAAKOHANBR-RHSMWYFYSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCCCS(N)(=O)=O)CC1 ZINC000572411184 491368208 /nfs/dbraw/zinc/36/82/08/491368208.db2.gz GLHWKEHCFGBPOO-UHFFFAOYSA-N 2 1 369.491 0.621 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000569478963 491163353 /nfs/dbraw/zinc/16/33/53/491163353.db2.gz RTAIKQIEQNNXPH-LSDHHAIUSA-N 2 1 352.866 0.927 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000554029327 491170909 /nfs/dbraw/zinc/17/09/09/491170909.db2.gz GKDCGXIPDJVQFP-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@H]1C ZINC000557491035 491377411 /nfs/dbraw/zinc/37/74/11/491377411.db2.gz FRRKNOQPFJENLW-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@H]1C ZINC000557491035 491377414 /nfs/dbraw/zinc/37/74/14/491377414.db2.gz FRRKNOQPFJENLW-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565548323 491383824 /nfs/dbraw/zinc/38/38/24/491383824.db2.gz GRALEAJMIXNFCM-CHWSQXEVSA-N 2 1 366.849 0.921 20 0 FCADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565548323 491383826 /nfs/dbraw/zinc/38/38/26/491383826.db2.gz GRALEAJMIXNFCM-CHWSQXEVSA-N 2 1 366.849 0.921 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000660280925 493338998 /nfs/dbraw/zinc/33/89/98/493338998.db2.gz KQONFYXAHWAAIP-HOTGVXAUSA-N 2 1 361.490 0.703 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000572726116 491389220 /nfs/dbraw/zinc/38/92/20/491389220.db2.gz KJTJYHIFKVHXAJ-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000565668535 491392366 /nfs/dbraw/zinc/39/23/66/491392366.db2.gz BPBCXQKIKSZAOI-OAGGEKHMSA-N 2 1 351.495 0.308 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000557741278 491395187 /nfs/dbraw/zinc/39/51/87/491395187.db2.gz JSFQEICDJGYXTI-MRXNPFEDSA-N 3 1 367.538 0.071 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000572832950 491396385 /nfs/dbraw/zinc/39/63/85/491396385.db2.gz QBFMXUDAIUQBLW-ZWKOTPCHSA-N 2 1 356.470 0.636 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000572943898 491403338 /nfs/dbraw/zinc/40/33/38/491403338.db2.gz DUGQPHRBUHBFKI-GOSISDBHSA-N 2 1 373.501 0.628 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904613 491404543 /nfs/dbraw/zinc/40/45/43/491404543.db2.gz JDEKQANPOUMASC-HOCLYGCPSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000566004796 491411598 /nfs/dbraw/zinc/41/15/98/491411598.db2.gz DOTTZOZKOKEEAG-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000566166859 491421993 /nfs/dbraw/zinc/42/19/93/491421993.db2.gz GILVAUNUXMSJTL-QGZVFWFLSA-N 2 1 359.474 0.241 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+]1CCN(C)CC1 ZINC000566181300 491423843 /nfs/dbraw/zinc/42/38/43/491423843.db2.gz RMGCAFJLWWBTSS-NVXWUHKLSA-N 2 1 363.510 0.032 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000558359726 491427372 /nfs/dbraw/zinc/42/73/72/491427372.db2.gz ITEPIPMGFLXVPD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000558359726 491427374 /nfs/dbraw/zinc/42/73/74/491427374.db2.gz ITEPIPMGFLXVPD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000558359726 491427375 /nfs/dbraw/zinc/42/73/75/491427375.db2.gz ITEPIPMGFLXVPD-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000558412996 491429486 /nfs/dbraw/zinc/42/94/86/491429486.db2.gz XCVPNTFKUGYEHE-CVEARBPZSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000558412996 491429488 /nfs/dbraw/zinc/42/94/88/491429488.db2.gz XCVPNTFKUGYEHE-CVEARBPZSA-N 2 1 350.507 0.847 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000558412996 491429490 /nfs/dbraw/zinc/42/94/90/491429490.db2.gz XCVPNTFKUGYEHE-CVEARBPZSA-N 2 1 350.507 0.847 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000558458579 491431497 /nfs/dbraw/zinc/43/14/97/491431497.db2.gz SDFKAJMMKRZXRK-SFHVURJKSA-N 2 1 368.566 0.858 20 0 FCADMP CN(C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1CC1 ZINC000558458579 491431499 /nfs/dbraw/zinc/43/14/99/491431499.db2.gz SDFKAJMMKRZXRK-SFHVURJKSA-N 2 1 368.566 0.858 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573476568 491436099 /nfs/dbraw/zinc/43/60/99/491436099.db2.gz SOFZCGDPECVJIS-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348244 491438324 /nfs/dbraw/zinc/43/83/24/491438324.db2.gz QZPBJIYWTLKQFN-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000573575650 491441539 /nfs/dbraw/zinc/44/15/39/491441539.db2.gz HQXOUVLXCKTXKY-WDSOQIARSA-N 2 1 360.502 0.499 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000573596363 491443130 /nfs/dbraw/zinc/44/31/30/491443130.db2.gz KLQHVLUAZLCVLQ-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000573596363 491443132 /nfs/dbraw/zinc/44/31/32/491443132.db2.gz KLQHVLUAZLCVLQ-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000573617964 491444420 /nfs/dbraw/zinc/44/44/20/491444420.db2.gz YWBBTFHWXIOTPQ-LJQANCHMSA-N 2 1 362.474 0.385 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000573617964 491444421 /nfs/dbraw/zinc/44/44/21/491444421.db2.gz YWBBTFHWXIOTPQ-LJQANCHMSA-N 2 1 362.474 0.385 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000668374231 493343337 /nfs/dbraw/zinc/34/33/37/493343337.db2.gz WGKRSZZCKVCCSB-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000668374231 493343339 /nfs/dbraw/zinc/34/33/39/493343339.db2.gz WGKRSZZCKVCCSB-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000573668516 491446913 /nfs/dbraw/zinc/44/69/13/491446913.db2.gz VCMRHTIRKBFGLV-UHFFFAOYSA-N 2 1 351.520 0.523 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000573704835 491449739 /nfs/dbraw/zinc/44/97/39/491449739.db2.gz WGNUMYNAVOXROC-KRWDZBQOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1C[NH2+]C1 ZINC000573799832 491455634 /nfs/dbraw/zinc/45/56/34/491455634.db2.gz FJXFAAMWVQDFCG-XBFCOCLRSA-N 2 1 350.442 0.431 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000559157467 491456558 /nfs/dbraw/zinc/45/65/58/491456558.db2.gz KCVWUZBANYBJQJ-CQSZACIVSA-N 2 1 366.487 0.987 20 0 FCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331295 491465368 /nfs/dbraw/zinc/46/53/68/491465368.db2.gz LMBGWKMWFXXPQI-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559331295 491465369 /nfs/dbraw/zinc/46/53/69/491465369.db2.gz LMBGWKMWFXXPQI-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559332359 491465793 /nfs/dbraw/zinc/46/57/93/491465793.db2.gz MNKWURQLEOQGTL-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CC[C@@H]1CN(CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000566787011 491466728 /nfs/dbraw/zinc/46/67/28/491466728.db2.gz QILNPKTXZMJAAY-DAWZGUTISA-N 2 1 367.538 0.613 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C[NH+]1CCOCC1 ZINC000559358199 491466861 /nfs/dbraw/zinc/46/68/61/491466861.db2.gz HWJWAHMCPVBBNR-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000566807983 491468336 /nfs/dbraw/zinc/46/83/36/491468336.db2.gz XEQQFEPGANAGRK-JKQORVJESA-N 2 1 374.489 0.840 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000559384133 491469547 /nfs/dbraw/zinc/46/95/47/491469547.db2.gz HGYIXJRWKUCVEX-INIZCTEOSA-N 2 1 364.490 0.824 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000559441190 491473565 /nfs/dbraw/zinc/47/35/65/491473565.db2.gz QMVDXXRCBLSWBF-KRWDZBQOSA-N 2 1 370.538 0.506 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000566987476 491479569 /nfs/dbraw/zinc/47/95/69/491479569.db2.gz YBBZJRSDKAQEHY-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000566987476 491479571 /nfs/dbraw/zinc/47/95/71/491479571.db2.gz YBBZJRSDKAQEHY-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000566987476 491479573 /nfs/dbraw/zinc/47/95/73/491479573.db2.gz YBBZJRSDKAQEHY-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569551 491482065 /nfs/dbraw/zinc/48/20/65/491482065.db2.gz ZDQDBWDDWAUWPP-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559588532 491483016 /nfs/dbraw/zinc/48/30/16/491483016.db2.gz OMRLXMBZEZDVMV-HNNXBMFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](c1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000574274377 491485665 /nfs/dbraw/zinc/48/56/65/491485665.db2.gz FDJNQNIEHLSWNB-RHSMWYFYSA-N 2 1 360.458 0.887 20 0 FCADMP C[C@H](c1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000574274376 491485673 /nfs/dbraw/zinc/48/56/73/491485673.db2.gz FDJNQNIEHLSWNB-PBHICJAKSA-N 2 1 360.458 0.887 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559761062 491496920 /nfs/dbraw/zinc/49/69/20/491496920.db2.gz ZOKORNGULDFLBV-CALCHBBNSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000559763627 491497496 /nfs/dbraw/zinc/49/74/96/491497496.db2.gz QUOKPPUAGSKDIS-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000559763627 491497497 /nfs/dbraw/zinc/49/74/97/491497497.db2.gz QUOKPPUAGSKDIS-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000559763627 491497498 /nfs/dbraw/zinc/49/74/98/491497498.db2.gz QUOKPPUAGSKDIS-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@@H]2C1 ZINC000567303122 491498414 /nfs/dbraw/zinc/49/84/14/491498414.db2.gz IOHCFKHEPBADDI-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000574484685 491500219 /nfs/dbraw/zinc/50/02/19/491500219.db2.gz REQABNWJYZULTO-KLZNWCGWSA-N 2 1 366.506 0.201 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000559867248 491506289 /nfs/dbraw/zinc/50/62/89/491506289.db2.gz FVVDNOBOPOOYNH-QAPCUYQASA-N 2 1 368.547 0.673 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868914 491506693 /nfs/dbraw/zinc/50/66/93/491506693.db2.gz YDYDMRDURGHKFN-CPUCHLNUSA-N 2 1 356.536 0.339 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000559923079 491510151 /nfs/dbraw/zinc/51/01/51/491510151.db2.gz PFWMQOWOWZHCCK-QGZVFWFLSA-N 2 1 368.522 0.261 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000559928909 491510865 /nfs/dbraw/zinc/51/08/65/491510865.db2.gz UDNROYPOGOWJMX-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000574697235 491514041 /nfs/dbraw/zinc/51/40/41/491514041.db2.gz CSZSQQXPHMMQRB-UHFFFAOYSA-N 2 1 354.476 0.642 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H]3C(=O)OC)CC2)CC1 ZINC000574701508 491514573 /nfs/dbraw/zinc/51/45/73/491514573.db2.gz DMUZMSDMUFAJPB-QGZVFWFLSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567642751 491520428 /nfs/dbraw/zinc/52/04/28/491520428.db2.gz YZWBATSEBODUHD-YQQAZPJKSA-N 2 1 366.531 0.920 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574808877 491521441 /nfs/dbraw/zinc/52/14/41/491521441.db2.gz ICBIZVMLDKRAHW-RBUKOAKNSA-N 2 1 357.502 0.800 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000574881630 491525784 /nfs/dbraw/zinc/52/57/84/491525784.db2.gz UWDFBYGAXHBUCA-SFHVURJKSA-N 2 1 373.501 0.574 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000574881630 491525785 /nfs/dbraw/zinc/52/57/85/491525785.db2.gz UWDFBYGAXHBUCA-SFHVURJKSA-N 2 1 373.501 0.574 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000567772286 491528635 /nfs/dbraw/zinc/52/86/35/491528635.db2.gz QJWBUUGOBOXERI-OAHLLOKOSA-N 2 1 359.405 0.804 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000560302639 491529806 /nfs/dbraw/zinc/52/98/06/491529806.db2.gz NLSMPSYEJBVBJG-UHFFFAOYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000567789005 491529946 /nfs/dbraw/zinc/52/99/46/491529946.db2.gz GFWPIBODZCFMIU-RBSFLKMASA-N 2 1 364.494 0.648 20 0 FCADMP C[NH2+][C@H](C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1)c1cnn(C)c1 ZINC000567796271 491530408 /nfs/dbraw/zinc/53/04/08/491530408.db2.gz OCMNVUVMDZFSGX-HNNXBMFYSA-N 2 1 351.451 0.072 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000575005988 491533131 /nfs/dbraw/zinc/53/31/31/491533131.db2.gz GEFRTVCOSCSPOB-AWEZNQCLSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575056102 491536694 /nfs/dbraw/zinc/53/66/94/491536694.db2.gz TUKUNTONOHOVIO-AEFFLSMTSA-N 2 1 373.501 0.182 20 0 FCADMP O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000567897440 491539426 /nfs/dbraw/zinc/53/94/26/491539426.db2.gz MMLSYDVLHLHDEW-UHFFFAOYSA-N 2 1 370.494 0.427 20 0 FCADMP O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000567897440 491539427 /nfs/dbraw/zinc/53/94/27/491539427.db2.gz MMLSYDVLHLHDEW-UHFFFAOYSA-N 2 1 370.494 0.427 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000575108637 491539532 /nfs/dbraw/zinc/53/95/32/491539532.db2.gz WMLMEFVZGAXTGI-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000568017454 491547522 /nfs/dbraw/zinc/54/75/22/491547522.db2.gz PDBDTVCYQOVALY-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000575243833 491547656 /nfs/dbraw/zinc/54/76/56/491547656.db2.gz DTORJFQTGCOOQE-UAGQMJEPSA-N 2 1 372.469 0.956 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000568105738 491553896 /nfs/dbraw/zinc/55/38/96/491553896.db2.gz UKBODYWJDCBIBY-KRWDZBQOSA-N 2 1 368.522 0.309 20 0 FCADMP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000575633481 491556742 /nfs/dbraw/zinc/55/67/42/491556742.db2.gz NSPSULVCJCQANV-HNNXBMFYSA-N 2 1 355.527 0.959 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000575633481 491556745 /nfs/dbraw/zinc/55/67/45/491556745.db2.gz NSPSULVCJCQANV-HNNXBMFYSA-N 2 1 355.527 0.959 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000560795589 491558096 /nfs/dbraw/zinc/55/80/96/491558096.db2.gz GKKAMFZJABGRBG-MRXNPFEDSA-N 2 1 370.563 0.922 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000560795589 491558097 /nfs/dbraw/zinc/55/80/97/491558097.db2.gz GKKAMFZJABGRBG-MRXNPFEDSA-N 2 1 370.563 0.922 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199847 491558862 /nfs/dbraw/zinc/55/88/62/491558862.db2.gz JUWYQTBSCMJCBC-UYAOXDASSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199847 491558864 /nfs/dbraw/zinc/55/88/64/491558864.db2.gz JUWYQTBSCMJCBC-UYAOXDASSA-N 2 1 361.486 0.708 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000575812825 491562724 /nfs/dbraw/zinc/56/27/24/491562724.db2.gz SLLJVTWDXHXFEJ-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@@H+]2CCC(C)(C)C2)cn1 ZINC000568291709 491567408 /nfs/dbraw/zinc/56/74/08/491567408.db2.gz RPZZRPHEQPNOPR-UHFFFAOYSA-N 2 1 350.467 0.231 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@H+]2CCC(C)(C)C2)cn1 ZINC000568291709 491567409 /nfs/dbraw/zinc/56/74/09/491567409.db2.gz RPZZRPHEQPNOPR-UHFFFAOYSA-N 2 1 350.467 0.231 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000568292320 491567540 /nfs/dbraw/zinc/56/75/40/491567540.db2.gz KFGHTBUBVBGASX-AWEZNQCLSA-N 2 1 352.504 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000568373612 491572260 /nfs/dbraw/zinc/57/22/60/491572260.db2.gz OIDAMCADESIHFY-CVEARBPZSA-N 2 1 366.506 0.333 20 0 FCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000576010710 491575680 /nfs/dbraw/zinc/57/56/80/491575680.db2.gz IFDQXNVWYHSXNP-OAHLLOKOSA-N 2 1 364.490 0.101 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000576044288 491577923 /nfs/dbraw/zinc/57/79/23/491577923.db2.gz NZYGNCUDYKSAJE-SQNIBIBYSA-N 2 1 372.517 0.835 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000561173489 491580497 /nfs/dbraw/zinc/58/04/97/491580497.db2.gz ZPMOOLAHFZSPBF-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000561173489 491580499 /nfs/dbraw/zinc/58/04/99/491580499.db2.gz ZPMOOLAHFZSPBF-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000561225441 491585828 /nfs/dbraw/zinc/58/58/28/491585828.db2.gz MIYJJKSHPVIZMX-UHFFFAOYSA-N 3 1 354.539 0.877 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000561225441 491585829 /nfs/dbraw/zinc/58/58/29/491585829.db2.gz MIYJJKSHPVIZMX-UHFFFAOYSA-N 3 1 354.539 0.877 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000561225441 491585830 /nfs/dbraw/zinc/58/58/30/491585830.db2.gz MIYJJKSHPVIZMX-UHFFFAOYSA-N 3 1 354.539 0.877 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000576146376 491586492 /nfs/dbraw/zinc/58/64/92/491586492.db2.gz VKXSBOYNIWJNHY-CPUCHLNUSA-N 2 1 350.507 0.774 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584459982 491593772 /nfs/dbraw/zinc/59/37/72/491593772.db2.gz ISXKQPMLGHFGQR-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584459982 491593774 /nfs/dbraw/zinc/59/37/74/491593774.db2.gz ISXKQPMLGHFGQR-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000568644446 491596491 /nfs/dbraw/zinc/59/64/91/491596491.db2.gz JFUAUAWDHMPASO-GOSISDBHSA-N 2 1 351.491 0.752 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000568644446 491596494 /nfs/dbraw/zinc/59/64/94/491596494.db2.gz JFUAUAWDHMPASO-GOSISDBHSA-N 2 1 351.491 0.752 20 0 FCADMP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188282 491599741 /nfs/dbraw/zinc/59/97/41/491599741.db2.gz CCACHORQUXTTGZ-CABCVRRESA-N 2 1 363.462 0.722 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540967 491602425 /nfs/dbraw/zinc/60/24/25/491602425.db2.gz RHKSVBJRSKQGDG-RYQLBKOJSA-N 2 1 374.460 0.808 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000561424949 491606741 /nfs/dbraw/zinc/60/67/41/491606741.db2.gz GDTDOHOZBXGYKU-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561424949 491606743 /nfs/dbraw/zinc/60/67/43/491606743.db2.gz GDTDOHOZBXGYKU-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561424949 491606746 /nfs/dbraw/zinc/60/67/46/491606746.db2.gz GDTDOHOZBXGYKU-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000568766661 491607992 /nfs/dbraw/zinc/60/79/92/491607992.db2.gz DPJVDDYGEQGLOA-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000561450455 491609230 /nfs/dbraw/zinc/60/92/30/491609230.db2.gz LOXUGEYVRUIMNM-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000568801093 491610546 /nfs/dbraw/zinc/61/05/46/491610546.db2.gz QOWALJUMKDHWSG-INIZCTEOSA-N 2 1 370.563 0.778 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000568801093 491610548 /nfs/dbraw/zinc/61/05/48/491610548.db2.gz QOWALJUMKDHWSG-INIZCTEOSA-N 2 1 370.563 0.778 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000568795692 491610714 /nfs/dbraw/zinc/61/07/14/491610714.db2.gz BDTPLIJRPYCTJT-INIZCTEOSA-N 2 1 362.540 0.348 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000577395263 491618686 /nfs/dbraw/zinc/61/86/86/491618686.db2.gz JKSGQARUUAHWCL-KBPBESRZSA-N 2 1 352.504 0.677 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000568983523 491624494 /nfs/dbraw/zinc/62/44/94/491624494.db2.gz KMUGWNVWZBPWLP-GOSISDBHSA-N 2 1 365.474 0.821 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000577515067 491628203 /nfs/dbraw/zinc/62/82/03/491628203.db2.gz SRTHTHJNIMAQEA-GVDBMIGSSA-N 2 1 366.506 0.333 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000577515068 491628325 /nfs/dbraw/zinc/62/83/25/491628325.db2.gz SRTHTHJNIMAQEA-ULQDDVLXSA-N 2 1 366.506 0.333 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000576663925 491634210 /nfs/dbraw/zinc/63/42/10/491634210.db2.gz NYJJQICALXPLQD-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000576663925 491634212 /nfs/dbraw/zinc/63/42/12/491634212.db2.gz NYJJQICALXPLQD-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000576663925 491634214 /nfs/dbraw/zinc/63/42/14/491634214.db2.gz NYJJQICALXPLQD-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000576695588 491636457 /nfs/dbraw/zinc/63/64/57/491636457.db2.gz OJFFSAGZAILQLI-XLMAVXFVSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000576695586 491636781 /nfs/dbraw/zinc/63/67/81/491636781.db2.gz OJFFSAGZAILQLI-DFGXFYAUSA-N 2 1 360.502 0.815 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652018 491640194 /nfs/dbraw/zinc/64/01/94/491640194.db2.gz YYXVDGPLDJYKDP-BBWFWOEESA-N 2 1 360.433 0.561 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652018 491640197 /nfs/dbraw/zinc/64/01/97/491640197.db2.gz YYXVDGPLDJYKDP-BBWFWOEESA-N 2 1 360.433 0.561 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000561997896 491645404 /nfs/dbraw/zinc/64/54/04/491645404.db2.gz XROVUMXUPSVTTI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997896 491645405 /nfs/dbraw/zinc/64/54/05/491645405.db2.gz XROVUMXUPSVTTI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997896 491645407 /nfs/dbraw/zinc/64/54/07/491645407.db2.gz XROVUMXUPSVTTI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001718 491645608 /nfs/dbraw/zinc/64/56/08/491645608.db2.gz OOSDDZPSSASEEV-CABCVRRESA-N 2 1 350.463 0.769 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849742 491650535 /nfs/dbraw/zinc/65/05/35/491650535.db2.gz DJPBWHOLFRYOLJ-MLHJIOFPSA-N 2 1 374.460 0.822 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050324 491650861 /nfs/dbraw/zinc/65/08/61/491650861.db2.gz ZMHAELRYQMYBAT-RHSMWYFYSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050324 491650862 /nfs/dbraw/zinc/65/08/62/491650862.db2.gz ZMHAELRYQMYBAT-RHSMWYFYSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000562050324 491650863 /nfs/dbraw/zinc/65/08/63/491650863.db2.gz ZMHAELRYQMYBAT-RHSMWYFYSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000562050324 491650864 /nfs/dbraw/zinc/65/08/64/491650864.db2.gz ZMHAELRYQMYBAT-RHSMWYFYSA-N 2 1 361.552 0.824 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668464457 493358528 /nfs/dbraw/zinc/35/85/28/493358528.db2.gz DETATQVGEUWDFQ-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668464457 493358532 /nfs/dbraw/zinc/35/85/32/493358532.db2.gz DETATQVGEUWDFQ-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668464457 493358534 /nfs/dbraw/zinc/35/85/34/493358534.db2.gz DETATQVGEUWDFQ-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000577842195 491656219 /nfs/dbraw/zinc/65/62/19/491656219.db2.gz MOEUAMCHKMZUBA-OAHLLOKOSA-N 2 1 374.485 0.259 20 0 FCADMP O=C(N1CCN(c2[nH]cc[nH+]2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569376926 491657096 /nfs/dbraw/zinc/65/70/96/491657096.db2.gz KKIHVPVTOXZIQZ-LJQANCHMSA-N 2 1 355.442 0.695 20 0 FCADMP O=C(N1CCN(c2[nH]cc[nH+]2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569376926 491657099 /nfs/dbraw/zinc/65/70/99/491657099.db2.gz KKIHVPVTOXZIQZ-LJQANCHMSA-N 2 1 355.442 0.695 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000577995942 491666882 /nfs/dbraw/zinc/66/68/82/491666882.db2.gz YFWXHYKIGOCKCZ-GOSISDBHSA-N 2 1 361.490 0.586 20 0 FCADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCN(c3cnccn3)CC1)CC[NH2+]CC2 ZINC000578231601 491672674 /nfs/dbraw/zinc/67/26/74/491672674.db2.gz PVULZSOQNMREQL-MRXNPFEDSA-N 2 1 358.490 0.589 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000579091385 491690665 /nfs/dbraw/zinc/69/06/65/491690665.db2.gz SPJBEEQHVFFSMG-MOPGFXCFSA-N 2 1 374.533 0.981 20 0 FCADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579099283 491690868 /nfs/dbraw/zinc/69/08/68/491690868.db2.gz PNYMABHOHFTBLR-AEFFLSMTSA-N 2 1 373.501 0.855 20 0 FCADMP [NH3+][C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000579109126 491691094 /nfs/dbraw/zinc/69/10/94/491691094.db2.gz ODFVGQZCXMROLP-ROUUACIJSA-N 2 1 374.485 0.516 20 0 FCADMP Cc1cc(N2CCC(NC(=O)c3cn(CCC[NH3+])nn3)CC2)nc(C)[nH+]1 ZINC000579116670 491691378 /nfs/dbraw/zinc/69/13/78/491691378.db2.gz BIISBJLRLXBJAG-UHFFFAOYSA-N 2 1 358.450 0.433 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147906 491691966 /nfs/dbraw/zinc/69/19/66/491691966.db2.gz WZWVIIQZNCHMMK-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000579187925 491692647 /nfs/dbraw/zinc/69/26/47/491692647.db2.gz WIKMNXLBHPLBLC-INIZCTEOSA-N 2 1 353.511 0.620 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584770571 491713522 /nfs/dbraw/zinc/71/35/22/491713522.db2.gz VFWKOPXNVHMCGM-IAGOWNOFSA-N 2 1 353.511 0.224 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584770570 491713574 /nfs/dbraw/zinc/71/35/74/491713574.db2.gz VFWKOPXNVHMCGM-DLBZAZTESA-N 2 1 353.511 0.224 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000584781365 491714245 /nfs/dbraw/zinc/71/42/45/491714245.db2.gz LYJCTPZDLRFISZ-JZXOWHBKSA-N 2 1 360.502 0.909 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000580125766 491718701 /nfs/dbraw/zinc/71/87/01/491718701.db2.gz ZUYDABXLIXAAFL-HFTRVMKXSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000580125766 491718702 /nfs/dbraw/zinc/71/87/02/491718702.db2.gz ZUYDABXLIXAAFL-HFTRVMKXSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000580125766 491718703 /nfs/dbraw/zinc/71/87/03/491718703.db2.gz ZUYDABXLIXAAFL-HFTRVMKXSA-N 2 1 362.518 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1=O ZINC000580316065 491725684 /nfs/dbraw/zinc/72/56/84/491725684.db2.gz ULTBTIJVGAOUCR-WCXIOVBPSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000580342615 491727398 /nfs/dbraw/zinc/72/73/98/491727398.db2.gz FEBPLJUHMOCGAU-CVEARBPZSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000580861049 491749268 /nfs/dbraw/zinc/74/92/68/491749268.db2.gz RBVNYHJCEGZLEF-OAGGEKHMSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000580861049 491749270 /nfs/dbraw/zinc/74/92/70/491749270.db2.gz RBVNYHJCEGZLEF-OAGGEKHMSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000580861049 491749272 /nfs/dbraw/zinc/74/92/72/491749272.db2.gz RBVNYHJCEGZLEF-OAGGEKHMSA-N 2 1 350.507 0.990 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000581500210 491775556 /nfs/dbraw/zinc/77/55/56/491775556.db2.gz JXYFXTILUQPFAQ-UHFFFAOYSA-N 2 1 371.526 0.245 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581551119 491777542 /nfs/dbraw/zinc/77/75/42/491777542.db2.gz BJCFGEYZTPALMQ-ICSRJNTNSA-N 2 1 371.529 0.703 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000581613736 491779956 /nfs/dbraw/zinc/77/99/56/491779956.db2.gz UYLCJCLJGYUNPZ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581613736 491779958 /nfs/dbraw/zinc/77/99/58/491779958.db2.gz UYLCJCLJGYUNPZ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581613736 491779959 /nfs/dbraw/zinc/77/99/59/491779959.db2.gz UYLCJCLJGYUNPZ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@H+]1C1CC1 ZINC000581747631 491785431 /nfs/dbraw/zinc/78/54/31/491785431.db2.gz SGSIWOJQWDHGTM-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747631 491785432 /nfs/dbraw/zinc/78/54/32/491785432.db2.gz SGSIWOJQWDHGTM-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747631 491785434 /nfs/dbraw/zinc/78/54/34/491785434.db2.gz SGSIWOJQWDHGTM-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC000581952625 491791865 /nfs/dbraw/zinc/79/18/65/491791865.db2.gz QCWLSVLSTKGBOP-LJQANCHMSA-N 2 1 367.490 0.631 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581999688 491793651 /nfs/dbraw/zinc/79/36/51/491793651.db2.gz CPMCJRTYTUFJAX-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000591413908 491804925 /nfs/dbraw/zinc/80/49/25/491804925.db2.gz ZIOWILHYSGQHJB-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000591413908 491804926 /nfs/dbraw/zinc/80/49/26/491804926.db2.gz ZIOWILHYSGQHJB-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000591413908 491804928 /nfs/dbraw/zinc/80/49/28/491804928.db2.gz ZIOWILHYSGQHJB-BZUAXINKSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000591413911 491805158 /nfs/dbraw/zinc/80/51/58/491805158.db2.gz ZIOWILHYSGQHJB-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000591413911 491805159 /nfs/dbraw/zinc/80/51/59/491805159.db2.gz ZIOWILHYSGQHJB-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000591413911 491805160 /nfs/dbraw/zinc/80/51/60/491805160.db2.gz ZIOWILHYSGQHJB-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582290632 491805905 /nfs/dbraw/zinc/80/59/05/491805905.db2.gz LWGDKROIYIMAQM-LSDHHAIUSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000582716589 491823742 /nfs/dbraw/zinc/82/37/42/491823742.db2.gz UVYATNFBBSFEFE-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000582716589 491823744 /nfs/dbraw/zinc/82/37/44/491823744.db2.gz UVYATNFBBSFEFE-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000583371833 491843434 /nfs/dbraw/zinc/84/34/34/491843434.db2.gz YLZULZPAQBCPSX-HNNXBMFYSA-N 2 1 350.438 0.571 20 0 FCADMP CCN1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000583450336 491845260 /nfs/dbraw/zinc/84/52/60/491845260.db2.gz NAFWKGHSZAEPKY-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000583527668 491846921 /nfs/dbraw/zinc/84/69/21/491846921.db2.gz MSIIIFQNGJQTHG-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626837 491848928 /nfs/dbraw/zinc/84/89/28/491848928.db2.gz NGMMNGTXCQIPHI-HIFRSBDPSA-N 2 1 373.544 0.803 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626837 491848929 /nfs/dbraw/zinc/84/89/29/491848929.db2.gz NGMMNGTXCQIPHI-HIFRSBDPSA-N 2 1 373.544 0.803 20 0 FCADMP CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000583761008 491851435 /nfs/dbraw/zinc/85/14/35/491851435.db2.gz CMJGBQWTVGEPQI-JKSUJKDBSA-N 2 1 353.507 0.887 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000583771515 491851790 /nfs/dbraw/zinc/85/17/90/491851790.db2.gz KUVZSTLYULEWDO-GVDBMIGSSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000583771515 491851791 /nfs/dbraw/zinc/85/17/91/491851791.db2.gz KUVZSTLYULEWDO-GVDBMIGSSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000583771515 491851792 /nfs/dbraw/zinc/85/17/92/491851792.db2.gz KUVZSTLYULEWDO-GVDBMIGSSA-N 2 1 356.511 0.440 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000583861794 491853367 /nfs/dbraw/zinc/85/33/67/491853367.db2.gz VUWKVJUHGJXXSO-YDRHNJASSA-N 2 1 362.518 0.951 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000583881054 491854039 /nfs/dbraw/zinc/85/40/39/491854039.db2.gz QREQHFXKHUQFEM-ROUUACIJSA-N 2 1 371.485 0.810 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000583935322 491855040 /nfs/dbraw/zinc/85/50/40/491855040.db2.gz GSJFUHRTJUKCPD-KRWDZBQOSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000611642293 491864641 /nfs/dbraw/zinc/86/46/41/491864641.db2.gz WQKJRAIHPMAPOJ-JYJNAYRXSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000611954462 491884917 /nfs/dbraw/zinc/88/49/17/491884917.db2.gz BSBKEDZJOGUVAO-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000600999678 491892405 /nfs/dbraw/zinc/89/24/05/491892405.db2.gz CTYHQECELFMQCS-QGZVFWFLSA-N 2 1 360.506 0.979 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC000612187668 491902897 /nfs/dbraw/zinc/90/28/97/491902897.db2.gz KIQGRZFJJNXZQK-UHFFFAOYSA-N 2 1 365.522 0.668 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595266489 491909061 /nfs/dbraw/zinc/90/90/61/491909061.db2.gz WYSUCGSMPHZBKX-QXSJWSMHSA-N 2 1 351.495 0.308 20 0 FCADMP Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000595264401 491909124 /nfs/dbraw/zinc/90/91/24/491909124.db2.gz MVKYMUSIMDJKAF-JKSUJKDBSA-N 2 1 372.473 0.444 20 0 FCADMP CN(C(=O)CCCCCNC(N)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472721 491925058 /nfs/dbraw/zinc/92/50/58/491925058.db2.gz PXZFPZWCKLXVDL-INIZCTEOSA-N 2 1 353.511 0.842 20 0 FCADMP CN(C(=O)CCCCCNC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601472721 491925062 /nfs/dbraw/zinc/92/50/62/491925062.db2.gz PXZFPZWCKLXVDL-INIZCTEOSA-N 2 1 353.511 0.842 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612592181 491936047 /nfs/dbraw/zinc/93/60/47/491936047.db2.gz NSYYJDCVLJRVQF-HZPDHXFCSA-N 2 1 366.506 0.345 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599631 491937973 /nfs/dbraw/zinc/93/79/73/491937973.db2.gz ZQSMTANEXCCTSS-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974022 491960686 /nfs/dbraw/zinc/96/06/86/491960686.db2.gz NNLBASVWTANSOS-LSDHHAIUSA-N 2 1 351.495 0.370 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000602147920 491963574 /nfs/dbraw/zinc/96/35/74/491963574.db2.gz FKEBSTXCCLSNNY-UHFFFAOYSA-N 2 1 356.511 0.213 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602487316 491989524 /nfs/dbraw/zinc/98/95/24/491989524.db2.gz WVKXBNNBOSEEJW-QGZVFWFLSA-N 2 1 366.531 0.934 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602487316 491989527 /nfs/dbraw/zinc/98/95/27/491989527.db2.gz WVKXBNNBOSEEJW-QGZVFWFLSA-N 2 1 366.531 0.934 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CN1CC[NH2+]CC1 ZINC000602504560 491990501 /nfs/dbraw/zinc/99/05/01/491990501.db2.gz GVPHNXZFOZPGQP-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CCOC(=O)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000613729354 491993576 /nfs/dbraw/zinc/99/35/76/491993576.db2.gz BCMNKSXBIMDOFO-CQSZACIVSA-N 2 1 352.479 0.797 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985717 492008744 /nfs/dbraw/zinc/00/87/44/492008744.db2.gz JVICWLKLGUSWQY-KPLDXPABSA-N 2 1 350.507 0.820 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652238 492066624 /nfs/dbraw/zinc/06/66/24/492066624.db2.gz VAHDUIHZVASFSD-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604652238 492066626 /nfs/dbraw/zinc/06/66/26/492066626.db2.gz VAHDUIHZVASFSD-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604652238 492066629 /nfs/dbraw/zinc/06/66/29/492066629.db2.gz VAHDUIHZVASFSD-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668226 492068105 /nfs/dbraw/zinc/06/81/05/492068105.db2.gz VQSKZSQOGRXPLZ-ROUUACIJSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000604668226 492068108 /nfs/dbraw/zinc/06/81/08/492068108.db2.gz VQSKZSQOGRXPLZ-ROUUACIJSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000604668226 492068111 /nfs/dbraw/zinc/06/81/11/492068111.db2.gz VQSKZSQOGRXPLZ-ROUUACIJSA-N 2 1 365.522 0.176 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(C[C@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000604774481 492071652 /nfs/dbraw/zinc/07/16/52/492071652.db2.gz YASKXFJIWCQUBC-IYWMVGAKSA-N 2 1 368.566 0.558 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000604774481 492071653 /nfs/dbraw/zinc/07/16/53/492071653.db2.gz YASKXFJIWCQUBC-IYWMVGAKSA-N 2 1 368.566 0.558 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000604774481 492071655 /nfs/dbraw/zinc/07/16/55/492071655.db2.gz YASKXFJIWCQUBC-IYWMVGAKSA-N 2 1 368.566 0.558 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000615089652 492072458 /nfs/dbraw/zinc/07/24/58/492072458.db2.gz LYDHMPRQVYOMFC-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000606653365 492125776 /nfs/dbraw/zinc/12/57/76/492125776.db2.gz RBBXZGUPIXBGFQ-YVSFHVDLSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000606653365 492125777 /nfs/dbraw/zinc/12/57/77/492125777.db2.gz RBBXZGUPIXBGFQ-YVSFHVDLSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000606653365 492125779 /nfs/dbraw/zinc/12/57/79/492125779.db2.gz RBBXZGUPIXBGFQ-YVSFHVDLSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000607057211 492137621 /nfs/dbraw/zinc/13/76/21/492137621.db2.gz MNMRUCBNBZNSGI-IAGOWNOFSA-N 2 1 367.538 0.995 20 0 FCADMP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000617976380 492208089 /nfs/dbraw/zinc/20/80/89/492208089.db2.gz XKGPVDZCXIVKBM-LJQANCHMSA-N 2 1 357.502 0.800 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)CC1 ZINC000600291592 492257507 /nfs/dbraw/zinc/25/75/07/492257507.db2.gz FLVFZFNPVLOEGA-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)CC(=O)OC)CC2)CC1 ZINC000600454429 492271046 /nfs/dbraw/zinc/27/10/46/492271046.db2.gz HQJGADNYRRLZCM-MRXNPFEDSA-N 2 1 355.479 0.223 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641783613 492305066 /nfs/dbraw/zinc/30/50/66/492305066.db2.gz MJSAMGYFBYQVPT-KRWDZBQOSA-N 2 1 364.494 0.287 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641783613 492305071 /nfs/dbraw/zinc/30/50/71/492305071.db2.gz MJSAMGYFBYQVPT-KRWDZBQOSA-N 2 1 364.494 0.287 20 0 FCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641808944 492306503 /nfs/dbraw/zinc/30/65/03/492306503.db2.gz VCQKIPJZFNPLSU-ZIAGYGMSSA-N 2 1 352.504 0.928 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470116 492309380 /nfs/dbraw/zinc/30/93/80/492309380.db2.gz LQOJNESYPIYSMA-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825677 492311376 /nfs/dbraw/zinc/31/13/76/492311376.db2.gz VYXXIKUMCGCRFC-HOTGVXAUSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825677 492311379 /nfs/dbraw/zinc/31/13/79/492311379.db2.gz VYXXIKUMCGCRFC-HOTGVXAUSA-N 2 1 366.506 0.284 20 0 FCADMP O=C(N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485722 492313730 /nfs/dbraw/zinc/31/37/30/492313730.db2.gz WSKHXFMSLKWQME-FPOVZHCZSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000620485722 492313733 /nfs/dbraw/zinc/31/37/33/492313733.db2.gz WSKHXFMSLKWQME-FPOVZHCZSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000620485722 492313737 /nfs/dbraw/zinc/31/37/37/492313737.db2.gz WSKHXFMSLKWQME-FPOVZHCZSA-N 2 1 373.497 0.681 20 0 FCADMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627480389 492317090 /nfs/dbraw/zinc/31/70/90/492317090.db2.gz OQYLNCWUJRLRDG-AEFFLSMTSA-N 2 1 358.486 0.630 20 0 FCADMP CC[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000634226724 492327847 /nfs/dbraw/zinc/32/78/47/492327847.db2.gz CQVROADSMZURJA-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000620772970 492334314 /nfs/dbraw/zinc/33/43/14/492334314.db2.gz PZTUVIJFPBZTKH-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253881 492345892 /nfs/dbraw/zinc/34/58/92/492345892.db2.gz OMKFOMYOLSMNPX-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642302683 492349699 /nfs/dbraw/zinc/34/96/99/492349699.db2.gz SPHYWFGFTWWHAW-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642373602 492356493 /nfs/dbraw/zinc/35/64/93/492356493.db2.gz RVIOQBIDOUMWKE-USXIJHARSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000642394761 492357080 /nfs/dbraw/zinc/35/70/80/492357080.db2.gz TVGRYQYHXXNSOB-KBPBESRZSA-N 2 1 354.495 0.330 20 0 FCADMP CN1C(=O)N[C@]2(CCN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357449 /nfs/dbraw/zinc/35/74/49/492357449.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@]2(CC[N@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357451 /nfs/dbraw/zinc/35/74/51/492357451.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@]2(CC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357452 /nfs/dbraw/zinc/35/74/52/492357452.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 1 358.442 0.250 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634707854 492361774 /nfs/dbraw/zinc/36/17/74/492361774.db2.gz MLSHDTADYDMRCF-YLJYHZDGSA-N 2 1 371.485 0.966 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634707854 492361777 /nfs/dbraw/zinc/36/17/77/492361777.db2.gz MLSHDTADYDMRCF-YLJYHZDGSA-N 2 1 371.485 0.966 20 0 FCADMP CS(=O)(=O)N1CC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634711208 492362550 /nfs/dbraw/zinc/36/25/50/492362550.db2.gz LLBWJRVONFQMEP-QGZVFWFLSA-N 2 1 353.488 0.104 20 0 FCADMP CS(=O)(=O)N1CC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634711208 492362553 /nfs/dbraw/zinc/36/25/53/492362553.db2.gz LLBWJRVONFQMEP-QGZVFWFLSA-N 2 1 353.488 0.104 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000642550370 492363365 /nfs/dbraw/zinc/36/33/65/492363365.db2.gz FNWHTOIJUIWRRB-SZMVWBNQSA-N 2 1 374.485 0.342 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642640225 492368035 /nfs/dbraw/zinc/36/80/35/492368035.db2.gz TVVVLIMVHKUVJG-IAGOWNOFSA-N 2 1 352.523 0.927 20 0 FCADMP C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCN1CC[NH2+]CC1 ZINC000647835374 492368842 /nfs/dbraw/zinc/36/88/42/492368842.db2.gz VWEVRALDTXYMTA-UHFFFAOYSA-N 2 1 373.501 0.979 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCOc1cccc(Cl)c1 ZINC000647835791 492370152 /nfs/dbraw/zinc/37/01/52/492370152.db2.gz OMRKKFHAQSYGGU-UHFFFAOYSA-N 2 1 354.882 0.672 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCOc1cccc(Cl)c1 ZINC000647835791 492370155 /nfs/dbraw/zinc/37/01/55/492370155.db2.gz OMRKKFHAQSYGGU-UHFFFAOYSA-N 2 1 354.882 0.672 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)CCC(F)(F)F ZINC000642680470 492372328 /nfs/dbraw/zinc/37/23/28/492372328.db2.gz IELTZISEHANODA-GFCCVEGCSA-N 2 1 352.401 0.635 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)CCC(F)(F)F ZINC000642680470 492372332 /nfs/dbraw/zinc/37/23/32/492372332.db2.gz IELTZISEHANODA-GFCCVEGCSA-N 2 1 352.401 0.635 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000642693052 492374028 /nfs/dbraw/zinc/37/40/28/492374028.db2.gz MZUZCSCUTKFKFQ-RLFYNMQTSA-N 2 1 374.485 0.124 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642693052 492374033 /nfs/dbraw/zinc/37/40/33/492374033.db2.gz MZUZCSCUTKFKFQ-RLFYNMQTSA-N 2 1 374.485 0.124 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000642693167 492374636 /nfs/dbraw/zinc/37/46/36/492374636.db2.gz ZCPTXEKLAXXFHY-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000642693167 492374638 /nfs/dbraw/zinc/37/46/38/492374638.db2.gz ZCPTXEKLAXXFHY-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699640 492375338 /nfs/dbraw/zinc/37/53/38/492375338.db2.gz DMQXSWORQAGIPB-MAUKXSAKSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654908330 492377679 /nfs/dbraw/zinc/37/76/79/492377679.db2.gz ZVXUTHPVKAOJHR-JZXOWHBKSA-N 2 1 372.469 0.451 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000642721935 492379464 /nfs/dbraw/zinc/37/94/64/492379464.db2.gz GKGMLZPMBOVISW-GDBMZVCRSA-N 2 1 362.474 0.802 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccsc1 ZINC000642731652 492381580 /nfs/dbraw/zinc/38/15/80/492381580.db2.gz AERRKYYVFZNRSW-BPLDGKMQSA-N 2 1 350.488 0.677 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729144 492382034 /nfs/dbraw/zinc/38/20/34/492382034.db2.gz SNGPGSFITUPSOV-ZFWWWQNUSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729144 492382038 /nfs/dbraw/zinc/38/20/38/492382038.db2.gz SNGPGSFITUPSOV-ZFWWWQNUSA-N 2 1 350.488 0.184 20 0 FCADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937830 492385654 /nfs/dbraw/zinc/38/56/54/492385654.db2.gz CSUOZRICIRSFHW-DOMZBBRYSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642759551 492386910 /nfs/dbraw/zinc/38/69/10/492386910.db2.gz OLTITRPAYABPDB-OQIJWPOYSA-N 2 1 370.497 0.834 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c(N2CCCC2)[nH+]1 ZINC000642778755 492389511 /nfs/dbraw/zinc/38/95/11/492389511.db2.gz JFHXJQMQXFMWLO-INIZCTEOSA-N 2 1 359.474 0.946 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000642785805 492391551 /nfs/dbraw/zinc/39/15/51/492391551.db2.gz LZLCTXSKOAVNPG-KSZLIROESA-N 2 1 362.518 0.968 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000642785679 492392082 /nfs/dbraw/zinc/39/20/82/492392082.db2.gz CTROOHISGBYRTL-OKZBNKHCSA-N 2 1 374.460 0.679 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000642907277 492401630 /nfs/dbraw/zinc/40/16/30/492401630.db2.gz LZZJXBXFPADEQD-AKNDPVLGSA-N 2 1 366.506 0.473 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642920120 492405059 /nfs/dbraw/zinc/40/50/59/492405059.db2.gz ZELAJEOGHWBVIE-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000642920120 492405061 /nfs/dbraw/zinc/40/50/61/492405061.db2.gz ZELAJEOGHWBVIE-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642940943 492405582 /nfs/dbraw/zinc/40/55/82/492405582.db2.gz NBAVKLZZMUAVIG-RDJZCZTQSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642940943 492405586 /nfs/dbraw/zinc/40/55/86/492405586.db2.gz NBAVKLZZMUAVIG-RDJZCZTQSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)([NH3+])CCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150523 492408867 /nfs/dbraw/zinc/40/88/67/492408867.db2.gz GLZMJIIQRBTYOQ-UHFFFAOYSA-N 2 1 368.522 0.581 20 0 FCADMP O=C([C@@H]1C[NH2+]CCOC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000648179140 492412878 /nfs/dbraw/zinc/41/28/78/492412878.db2.gz GERDGAOMQKQYNC-MRXNPFEDSA-N 2 1 361.490 0.819 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000643014564 492414680 /nfs/dbraw/zinc/41/46/80/492414680.db2.gz FVPVWZQOFYMXKD-IXDOHACOSA-N 2 1 371.485 0.543 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621838779 492422352 /nfs/dbraw/zinc/42/23/52/492422352.db2.gz JDJOICSSXUHRJX-VCBZYWHSSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000621840197 492423133 /nfs/dbraw/zinc/42/31/33/492423133.db2.gz FFTLSRRYNLGBNE-FQELHTAISA-N 2 1 370.497 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000621840197 492423135 /nfs/dbraw/zinc/42/31/35/492423135.db2.gz FFTLSRRYNLGBNE-FQELHTAISA-N 2 1 370.497 0.889 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000622024742 492441935 /nfs/dbraw/zinc/44/19/35/492441935.db2.gz AWBIHSOBJLVYCU-NQIIRXRSSA-N 2 1 370.497 0.713 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026534 492442877 /nfs/dbraw/zinc/44/28/77/492442877.db2.gz MDKQKNLZXNNEKI-APWZRJJASA-N 2 1 350.507 0.905 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635472954 492454583 /nfs/dbraw/zinc/45/45/83/492454583.db2.gz ISPMQKANJIWKRA-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635543507 492467815 /nfs/dbraw/zinc/46/78/15/492467815.db2.gz DAOBEEHBUMSDCI-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000643484607 492477869 /nfs/dbraw/zinc/47/78/69/492477869.db2.gz GVSFPBNAELXJSA-GOSISDBHSA-N 2 1 374.485 0.215 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000643492338 492480934 /nfs/dbraw/zinc/48/09/34/492480934.db2.gz AHIJYNROFCODCK-HOTGVXAUSA-N 2 1 357.458 0.249 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643513265 492486384 /nfs/dbraw/zinc/48/63/84/492486384.db2.gz LSTZISRHKXZLMR-ARFHVFGLSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531800 492491445 /nfs/dbraw/zinc/49/14/45/492491445.db2.gz LRCARXOKQHFKJE-SZMVWBNQSA-N 2 1 374.485 0.294 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1CCOC ZINC000643545010 492495942 /nfs/dbraw/zinc/49/59/42/492495942.db2.gz LOJICYVIPVMYRH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@H+]1CCOC ZINC000643545010 492495946 /nfs/dbraw/zinc/49/59/46/492495946.db2.gz LOJICYVIPVMYRH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@@H]21 ZINC000643549680 492496775 /nfs/dbraw/zinc/49/67/75/492496775.db2.gz BALZTOZFWYSCRN-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C2)C1 ZINC000643594089 492503870 /nfs/dbraw/zinc/50/38/70/492503870.db2.gz BOWPAYFFYGSSEU-VPWXQRGCSA-N 2 1 374.460 0.633 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C[C@@H]21 ZINC000643594256 492503922 /nfs/dbraw/zinc/50/39/22/492503922.db2.gz WHMRRDUVOAAYEK-UOJCXKCYSA-N 2 1 360.433 0.241 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000643594041 492503988 /nfs/dbraw/zinc/50/39/88/492503988.db2.gz ZZNZMUIKKKPMKK-YRXWBPOGSA-N 2 1 368.481 0.397 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315705 492529646 /nfs/dbraw/zinc/52/96/46/492529646.db2.gz CVERYRYLMXDELH-CVEARBPZSA-N 2 1 360.458 0.558 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934291 492530934 /nfs/dbraw/zinc/53/09/34/492530934.db2.gz OOKRIMDQUHXEBK-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1=O ZINC000635934291 492530939 /nfs/dbraw/zinc/53/09/39/492530939.db2.gz OOKRIMDQUHXEBK-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1=O ZINC000635934291 492530944 /nfs/dbraw/zinc/53/09/44/492530944.db2.gz OOKRIMDQUHXEBK-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1=O ZINC000635934421 492531232 /nfs/dbraw/zinc/53/12/32/492531232.db2.gz QCHBKLXABHBPDD-HNNXBMFYSA-N 2 1 365.478 0.302 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1=O ZINC000635934421 492531234 /nfs/dbraw/zinc/53/12/34/492531234.db2.gz QCHBKLXABHBPDD-HNNXBMFYSA-N 2 1 365.478 0.302 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077852 492538991 /nfs/dbraw/zinc/53/89/91/492538991.db2.gz XRMGFYVKMNAEEW-BQJWPVKWSA-N 2 1 368.522 0.541 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)CC1 ZINC000649346752 492541427 /nfs/dbraw/zinc/54/14/27/492541427.db2.gz HNWCWLUZOOPMEQ-INIZCTEOSA-N 2 1 360.458 0.178 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649351241 492543547 /nfs/dbraw/zinc/54/35/47/492543547.db2.gz AEGMTCNJZBGBNW-OAHLLOKOSA-N 2 1 350.438 0.300 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649353582 492547582 /nfs/dbraw/zinc/54/75/82/492547582.db2.gz NQYOHINOLRXHIB-SFHVURJKSA-N 3 1 366.550 0.877 20 0 FCADMP C[N@H+]1CCCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571909 492568353 /nfs/dbraw/zinc/56/83/53/492568353.db2.gz LMABFHBKMQVEPY-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571909 492568357 /nfs/dbraw/zinc/56/83/57/492568357.db2.gz LMABFHBKMQVEPY-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571909 492568360 /nfs/dbraw/zinc/56/83/60/492568360.db2.gz LMABFHBKMQVEPY-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1C ZINC000656311767 492585845 /nfs/dbraw/zinc/58/58/45/492585845.db2.gz HTCCXWKAOUMTCV-HUUCEWRRSA-N 2 1 362.478 0.235 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623725398 492587022 /nfs/dbraw/zinc/58/70/22/492587022.db2.gz YAWAQFNMSWKMGT-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623725398 492587024 /nfs/dbraw/zinc/58/70/24/492587024.db2.gz YAWAQFNMSWKMGT-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656320898 492591635 /nfs/dbraw/zinc/59/16/35/492591635.db2.gz XCMYJMUQXZTFAM-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656320898 492591637 /nfs/dbraw/zinc/59/16/37/492591637.db2.gz XCMYJMUQXZTFAM-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656320898 492591640 /nfs/dbraw/zinc/59/16/40/492591640.db2.gz XCMYJMUQXZTFAM-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357857 492611467 /nfs/dbraw/zinc/61/14/67/492611467.db2.gz HHYYHMDMDJZIJY-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656357857 492611471 /nfs/dbraw/zinc/61/14/71/492611471.db2.gz HHYYHMDMDJZIJY-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656357857 492611472 /nfs/dbraw/zinc/61/14/72/492611472.db2.gz HHYYHMDMDJZIJY-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000623994761 492611877 /nfs/dbraw/zinc/61/18/77/492611877.db2.gz CEXPDMUVIVKDDA-ZWKOTPCHSA-N 2 1 358.486 0.564 20 0 FCADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000629558954 492644698 /nfs/dbraw/zinc/64/46/98/492644698.db2.gz OALMUONVSLOQAA-IBGZPJMESA-N 2 1 360.502 0.772 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665019 492653767 /nfs/dbraw/zinc/65/37/67/492653767.db2.gz YTMCYZINTRMMBV-PBHICJAKSA-N 2 1 350.507 0.966 20 0 FCADMP CN(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000629578544 492655402 /nfs/dbraw/zinc/65/54/02/492655402.db2.gz QOZHOJRXZDMQSG-HNNXBMFYSA-N 2 1 359.467 0.493 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+](C)CCOCC[NH3+] ZINC000629578819 492655819 /nfs/dbraw/zinc/65/58/19/492655819.db2.gz HEADNZZHMVIWMF-UONOGXRCSA-N 2 1 351.447 0.931 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636674597 492656563 /nfs/dbraw/zinc/65/65/63/492656563.db2.gz OGUGHMFCNMABIH-INIZCTEOSA-N 2 1 350.463 0.493 20 0 FCADMP COCCOCCN1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000650849266 492675251 /nfs/dbraw/zinc/67/52/51/492675251.db2.gz HBONHUDXXNDQMW-UHFFFAOYSA-N 2 1 356.511 0.851 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878393 492679252 /nfs/dbraw/zinc/67/92/52/492679252.db2.gz RYOSAKQVGLSBTK-JQHSSLGASA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878393 492679255 /nfs/dbraw/zinc/67/92/55/492679255.db2.gz RYOSAKQVGLSBTK-JQHSSLGASA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878393 492679260 /nfs/dbraw/zinc/67/92/60/492679260.db2.gz RYOSAKQVGLSBTK-JQHSSLGASA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878393 492679265 /nfs/dbraw/zinc/67/92/65/492679265.db2.gz RYOSAKQVGLSBTK-JQHSSLGASA-N 2 1 368.522 0.584 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000629809527 492682774 /nfs/dbraw/zinc/68/27/74/492682774.db2.gz GWEFEDKDLKFNJZ-ARFHVFGLSA-N 2 1 359.474 0.647 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1=O ZINC000624787089 492683656 /nfs/dbraw/zinc/68/36/56/492683656.db2.gz OZGOUIFADUPJOS-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC000629813262 492685216 /nfs/dbraw/zinc/68/52/16/492685216.db2.gz IRMZRWMTYQSZNS-LPWJVIDDSA-N 2 1 362.396 0.135 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC000629813265 492685361 /nfs/dbraw/zinc/68/53/61/492685361.db2.gz IRMZRWMTYQSZNS-XQHKEYJVSA-N 2 1 362.396 0.135 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000629816008 492687027 /nfs/dbraw/zinc/68/70/27/492687027.db2.gz STHQUJBRHDMIST-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034263 492697160 /nfs/dbraw/zinc/69/71/60/492697160.db2.gz ZXNUBIMZLMSDKG-KFKAGJAMSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651034263 492697163 /nfs/dbraw/zinc/69/71/63/492697163.db2.gz ZXNUBIMZLMSDKG-KFKAGJAMSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651034263 492697167 /nfs/dbraw/zinc/69/71/67/492697167.db2.gz ZXNUBIMZLMSDKG-KFKAGJAMSA-N 2 1 358.486 0.967 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651034263 492697170 /nfs/dbraw/zinc/69/71/70/492697170.db2.gz ZXNUBIMZLMSDKG-KFKAGJAMSA-N 2 1 358.486 0.967 20 0 FCADMP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000629912579 492702778 /nfs/dbraw/zinc/70/27/78/492702778.db2.gz VZUFRUUDBZFJAL-IBGZPJMESA-N 2 1 361.486 0.687 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000629914289 492703018 /nfs/dbraw/zinc/70/30/18/492703018.db2.gz NAMMERIJNUQDLD-IBGZPJMESA-N 2 1 360.502 0.690 20 0 FCADMP O=C(C[C@]1(O)CCC[NH+](Cc2ccccc2)C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917591 492704751 /nfs/dbraw/zinc/70/47/51/492704751.db2.gz GNSZHLHTJVVWFZ-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CC[C@H](O)C1 ZINC000629917591 492704752 /nfs/dbraw/zinc/70/47/52/492704752.db2.gz GNSZHLHTJVVWFZ-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(C[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CC[C@H](O)C1 ZINC000629917591 492704754 /nfs/dbraw/zinc/70/47/54/492704754.db2.gz GNSZHLHTJVVWFZ-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644339087 492714112 /nfs/dbraw/zinc/71/41/12/492714112.db2.gz VFBXBTQHMVNUIE-BBWFWOEESA-N 2 1 354.495 0.384 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)CC2 ZINC000651231057 492724908 /nfs/dbraw/zinc/72/49/08/492724908.db2.gz NVJSKDGZEYCIBL-PBHICJAKSA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)CC2 ZINC000651231057 492724910 /nfs/dbraw/zinc/72/49/10/492724910.db2.gz NVJSKDGZEYCIBL-PBHICJAKSA-N 2 1 359.474 0.695 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)cn1 ZINC000644363178 492725382 /nfs/dbraw/zinc/72/53/82/492725382.db2.gz DLGUCSSQHXDACU-XHSDSOJGSA-N 2 1 350.467 0.554 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000636939826 492733181 /nfs/dbraw/zinc/73/31/81/492733181.db2.gz GRYRZYGFQCFATK-ZACQAIPSSA-N 2 1 354.495 0.120 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1nccn1C ZINC000625383575 492770471 /nfs/dbraw/zinc/77/04/71/492770471.db2.gz MVYQMIHRRGMIHC-BPUTZDHNSA-N 2 1 363.462 0.167 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644536572 492782817 /nfs/dbraw/zinc/78/28/17/492782817.db2.gz HVTSEXZDTYOSKB-DOTOQJQBSA-N 2 1 357.495 0.075 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644536572 492782821 /nfs/dbraw/zinc/78/28/21/492782821.db2.gz HVTSEXZDTYOSKB-DOTOQJQBSA-N 2 1 357.495 0.075 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000644533275 492782878 /nfs/dbraw/zinc/78/28/78/492782878.db2.gz SASHQXFMLFOOJN-SFHVURJKSA-N 2 1 369.531 0.741 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000644533275 492782881 /nfs/dbraw/zinc/78/28/81/492782881.db2.gz SASHQXFMLFOOJN-SFHVURJKSA-N 2 1 369.531 0.741 20 0 FCADMP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644582803 492787628 /nfs/dbraw/zinc/78/76/28/492787628.db2.gz CYSWCOQRNKUVQZ-SQGPQFPESA-N 2 1 374.485 0.789 20 0 FCADMP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644582803 492787635 /nfs/dbraw/zinc/78/76/35/492787635.db2.gz CYSWCOQRNKUVQZ-SQGPQFPESA-N 2 1 374.485 0.789 20 0 FCADMP CCn1nncc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000637298264 492807263 /nfs/dbraw/zinc/80/72/63/492807263.db2.gz IIZPLXCBTGQXTH-OAHLLOKOSA-N 2 1 351.499 0.856 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637376733 492816738 /nfs/dbraw/zinc/81/67/38/492816738.db2.gz MXUKYCIYTZDLTF-HOTGVXAUSA-N 2 1 369.510 0.078 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000645008776 492838180 /nfs/dbraw/zinc/83/81/80/492838180.db2.gz XOEAWBLWQUEWQZ-RCCFBDPRSA-N 2 1 365.522 0.129 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000631814271 492857432 /nfs/dbraw/zinc/85/74/32/492857432.db2.gz HLVWWLVOKMTCSY-QGZVFWFLSA-N 2 1 359.536 0.989 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000631814271 492857438 /nfs/dbraw/zinc/85/74/38/492857438.db2.gz HLVWWLVOKMTCSY-QGZVFWFLSA-N 2 1 359.536 0.989 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000645070153 492862617 /nfs/dbraw/zinc/86/26/17/492862617.db2.gz WMJBRRBOGJOGIG-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP COc1cc[nH+]c(N2CCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)c1 ZINC000631902923 492873308 /nfs/dbraw/zinc/87/33/08/492873308.db2.gz URYITFILHODUFG-UHFFFAOYSA-N 2 1 354.476 0.636 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C[NH+]1CCOCC1 ZINC000652155419 492889017 /nfs/dbraw/zinc/88/90/17/492889017.db2.gz CXVGVPACBJIQMR-OWSLCNJRSA-N 2 1 368.522 0.883 20 0 FCADMP C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)CN1CC[NH+](C)CC1 ZINC000652158562 492889118 /nfs/dbraw/zinc/88/91/18/492889118.db2.gz FPOQEKOUDJEESW-CQSZACIVSA-N 2 1 351.470 0.967 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000638091238 492904008 /nfs/dbraw/zinc/90/40/08/492904008.db2.gz RSBPFLBKBLZDCN-ZMMAXQRCSA-N 2 1 352.523 0.770 20 0 FCADMP CC1(C)C[N@H+](C2(CNC(=O)CN3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000638111707 492908149 /nfs/dbraw/zinc/90/81/49/492908149.db2.gz GDAWHOASAVKGHE-UHFFFAOYSA-N 2 1 352.523 0.822 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000638109827 492908351 /nfs/dbraw/zinc/90/83/51/492908351.db2.gz HUEGDNQYYGYTMA-KRWDZBQOSA-N 2 1 362.474 0.234 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652347972 492913180 /nfs/dbraw/zinc/91/31/80/492913180.db2.gz QLNFPZIYAPBVBG-FJIDUMEYSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638134718 492914185 /nfs/dbraw/zinc/91/41/85/492914185.db2.gz OFJFHCKZBFJVLI-JLLWLGSASA-N 2 1 354.405 0.963 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138226 492915545 /nfs/dbraw/zinc/91/55/45/492915545.db2.gz YHLXEPCNBSQRSC-LPHOPBHVSA-N 2 1 362.518 0.955 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000638137086 492915748 /nfs/dbraw/zinc/91/57/48/492915748.db2.gz RDXRGXVUJHHVKI-QUCCMNQESA-N 2 1 360.502 0.817 20 0 FCADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652360470 492916370 /nfs/dbraw/zinc/91/63/70/492916370.db2.gz IXKGODCUJAVFMO-BBWFWOEESA-N 2 1 352.479 0.038 20 0 FCADMP CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645541398 492922939 /nfs/dbraw/zinc/92/29/39/492922939.db2.gz XSTGMWCMCFDBBR-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645541398 492922945 /nfs/dbraw/zinc/92/29/45/492922945.db2.gz XSTGMWCMCFDBBR-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000652479658 492947038 /nfs/dbraw/zinc/94/70/38/492947038.db2.gz SRMNCTWPLHIFKC-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)ccc1OCC(N)=O ZINC000638435667 492947186 /nfs/dbraw/zinc/94/71/86/492947186.db2.gz FCJZSSZWUNLDGB-UHFFFAOYSA-N 2 1 365.474 0.884 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638438799 492947307 /nfs/dbraw/zinc/94/73/07/492947307.db2.gz CVOQIDZESZTKBT-OAHLLOKOSA-N 2 1 357.462 0.730 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638490835 492956718 /nfs/dbraw/zinc/95/67/18/492956718.db2.gz BCMNUFBFEKRIDD-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000632306896 492969351 /nfs/dbraw/zinc/96/93/51/492969351.db2.gz YLVKYYLJZOGMOD-QZTJIDSGSA-N 2 1 360.502 0.769 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652632761 492974279 /nfs/dbraw/zinc/97/42/79/492974279.db2.gz BABGCFZDPPBLQE-UHFFFAOYSA-N 2 1 365.526 0.982 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638753283 492975632 /nfs/dbraw/zinc/97/56/32/492975632.db2.gz UKUPBUUNTMFZTR-MSOLQXFVSA-N 2 1 370.457 0.330 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638753283 492975636 /nfs/dbraw/zinc/97/56/36/492975636.db2.gz UKUPBUUNTMFZTR-MSOLQXFVSA-N 2 1 370.457 0.330 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652680925 492988355 /nfs/dbraw/zinc/98/83/55/492988355.db2.gz VIOPHWIOPUBSFK-GVDBMIGSSA-N 2 1 368.522 0.579 20 0 FCADMP [NH3+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000639032357 492992858 /nfs/dbraw/zinc/99/28/58/492992858.db2.gz UEIYULRIGOHVMV-JYJNAYRXSA-N 2 1 352.479 0.086 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)[C@H](Cc2ccccc2)C1 ZINC000652695330 492992951 /nfs/dbraw/zinc/99/29/51/492992951.db2.gz ROCWZGNZHXHCPA-GOSISDBHSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)[C@H](Cc2ccccc2)C1 ZINC000652695330 492992954 /nfs/dbraw/zinc/99/29/54/492992954.db2.gz ROCWZGNZHXHCPA-GOSISDBHSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652701539 492994506 /nfs/dbraw/zinc/99/45/06/492994506.db2.gz DEIAABILJXZAMG-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652701539 492994509 /nfs/dbraw/zinc/99/45/09/492994509.db2.gz DEIAABILJXZAMG-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701986 492994872 /nfs/dbraw/zinc/99/48/72/492994872.db2.gz MWFWXDHRCQKGNH-KBAYOESNSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701986 492994877 /nfs/dbraw/zinc/99/48/77/492994877.db2.gz MWFWXDHRCQKGNH-KBAYOESNSA-N 2 1 358.486 0.628 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652708632 492996554 /nfs/dbraw/zinc/99/65/54/492996554.db2.gz YMRTXWMINPFTGL-MRXNPFEDSA-N 2 1 354.495 0.333 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000652729863 493007392 /nfs/dbraw/zinc/00/73/92/493007392.db2.gz YPWWYFGDZRAOQS-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000652729863 493007395 /nfs/dbraw/zinc/00/73/95/493007395.db2.gz YPWWYFGDZRAOQS-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000646189057 493024890 /nfs/dbraw/zinc/02/48/90/493024890.db2.gz IHHOQVKVFOSHOI-SFHVURJKSA-N 2 1 361.490 0.351 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[N@@H+]1C ZINC000626821307 493026909 /nfs/dbraw/zinc/02/69/09/493026909.db2.gz WTLGEUBFOAXMKX-MRXNPFEDSA-N 2 1 360.458 0.906 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[N@H+]1C ZINC000626821307 493026914 /nfs/dbraw/zinc/02/69/14/493026914.db2.gz WTLGEUBFOAXMKX-MRXNPFEDSA-N 2 1 360.458 0.906 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639681898 493031529 /nfs/dbraw/zinc/03/15/29/493031529.db2.gz HORSIBZSQBKWGN-MRXNPFEDSA-N 2 1 359.474 0.673 20 0 FCADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000658760058 493044704 /nfs/dbraw/zinc/04/47/04/493044704.db2.gz UZUSNUUCUCMOIE-RBUKOAKNSA-N 2 1 370.497 0.739 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850576 493056119 /nfs/dbraw/zinc/05/61/19/493056119.db2.gz VZOBPCIXJODNAY-VNTMZGSJSA-N 2 1 364.486 0.322 20 0 FCADMP C[N@@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](CO)C1 ZINC000639872937 493062959 /nfs/dbraw/zinc/06/29/59/493062959.db2.gz YJUXSGKASVSNCZ-IBGZPJMESA-N 2 1 360.502 0.507 20 0 FCADMP C[N@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](CO)C1 ZINC000639872937 493062962 /nfs/dbraw/zinc/06/29/62/493062962.db2.gz YJUXSGKASVSNCZ-IBGZPJMESA-N 2 1 360.502 0.507 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000626936229 493067845 /nfs/dbraw/zinc/06/78/45/493067845.db2.gz DTKLOLMZZRIBNK-UHFFFAOYSA-N 2 1 367.469 0.564 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124638 493074972 /nfs/dbraw/zinc/07/49/72/493074972.db2.gz CMRDKKMFDVWETI-CEXWTWQISA-N 2 1 364.534 0.770 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653121765 493075335 /nfs/dbraw/zinc/07/53/35/493075335.db2.gz BFNBSRIVEAWIDC-CAIZAGQASA-N 2 1 359.470 0.628 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653121765 493075338 /nfs/dbraw/zinc/07/53/38/493075338.db2.gz BFNBSRIVEAWIDC-CAIZAGQASA-N 2 1 359.470 0.628 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003169 493078272 /nfs/dbraw/zinc/07/82/72/493078272.db2.gz IGRXVFHIVZOJFY-XIRDDKMYSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003169 493078277 /nfs/dbraw/zinc/07/82/77/493078277.db2.gz IGRXVFHIVZOJFY-XIRDDKMYSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003130 493078320 /nfs/dbraw/zinc/07/83/20/493078320.db2.gz HROTXDOEWVLYGN-CYDGBPFRSA-N 2 1 352.401 0.874 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003130 493078323 /nfs/dbraw/zinc/07/83/23/493078323.db2.gz HROTXDOEWVLYGN-CYDGBPFRSA-N 2 1 352.401 0.874 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627019903 493081607 /nfs/dbraw/zinc/08/16/07/493081607.db2.gz UPGNXSXZJRPEGA-SJORKVTESA-N 2 1 364.515 0.892 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627019903 493081613 /nfs/dbraw/zinc/08/16/13/493081613.db2.gz UPGNXSXZJRPEGA-SJORKVTESA-N 2 1 364.515 0.892 20 0 FCADMP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653253902 493086575 /nfs/dbraw/zinc/08/65/75/493086575.db2.gz DGFFNMIMTFOJHT-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653253902 493086579 /nfs/dbraw/zinc/08/65/79/493086579.db2.gz DGFFNMIMTFOJHT-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)[C@H](Cc2ccccc2)C1 ZINC000653254559 493086656 /nfs/dbraw/zinc/08/66/56/493086656.db2.gz UYQHVCILTSAOSO-IAGOWNOFSA-N 2 1 354.458 0.811 20 0 FCADMP C[N@H+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)[C@H](Cc2ccccc2)C1 ZINC000653254559 493086660 /nfs/dbraw/zinc/08/66/60/493086660.db2.gz UYQHVCILTSAOSO-IAGOWNOFSA-N 2 1 354.458 0.811 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000633037239 493108115 /nfs/dbraw/zinc/10/81/15/493108115.db2.gz LOHIAVZIRDXFGI-IIAWOOMASA-N 2 1 360.458 0.966 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000627230529 493111860 /nfs/dbraw/zinc/11/18/60/493111860.db2.gz SQXIHAIENDOKDH-KRWDZBQOSA-N 2 1 361.494 0.972 20 0 FCADMP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000633089407 493120201 /nfs/dbraw/zinc/12/02/01/493120201.db2.gz DVIOXYHTYRQTCO-ZWKOTPCHSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000633089407 493120207 /nfs/dbraw/zinc/12/02/07/493120207.db2.gz DVIOXYHTYRQTCO-ZWKOTPCHSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000633089407 493120212 /nfs/dbraw/zinc/12/02/12/493120212.db2.gz DVIOXYHTYRQTCO-ZWKOTPCHSA-N 2 1 367.538 0.375 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633089277 493120724 /nfs/dbraw/zinc/12/07/24/493120724.db2.gz XIPXUJITSWZFCN-OALUTQOASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000640611121 493120965 /nfs/dbraw/zinc/12/09/65/493120965.db2.gz BKPWZIWJOFTGPP-KRWDZBQOSA-N 2 1 374.489 0.914 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccn1 ZINC000640611121 493120967 /nfs/dbraw/zinc/12/09/67/493120967.db2.gz BKPWZIWJOFTGPP-KRWDZBQOSA-N 2 1 374.489 0.914 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095366 493122716 /nfs/dbraw/zinc/12/27/16/493122716.db2.gz SOMMMUXYOOCMNC-NJAFHUGGSA-N 2 1 356.470 0.682 20 0 FCADMP COc1cccc(CNC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640799799 493132369 /nfs/dbraw/zinc/13/23/69/493132369.db2.gz XAPRQGRENWLFNU-UHFFFAOYSA-N 2 1 372.473 0.569 20 0 FCADMP CC[NH2+]Cc1ccn(Cc2cn([C@@H](C)C(=O)N3CC[NH+](CC)CC3)nn2)n1 ZINC000640829838 493133686 /nfs/dbraw/zinc/13/36/86/493133686.db2.gz GTUHIONNZHHQLN-HNNXBMFYSA-N 2 1 374.493 0.358 20 0 FCADMP CN(Cc1cccs1)C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640841992 493134991 /nfs/dbraw/zinc/13/49/91/493134991.db2.gz RUOAKLWNCVWZTI-UHFFFAOYSA-N 2 1 362.503 0.964 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000646974538 493137719 /nfs/dbraw/zinc/13/77/19/493137719.db2.gz RMOSQMBHVUOKBQ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000646974538 493137713 /nfs/dbraw/zinc/13/77/13/493137713.db2.gz RMOSQMBHVUOKBQ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000646974538 493137717 /nfs/dbraw/zinc/13/77/17/493137717.db2.gz RMOSQMBHVUOKBQ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659072852 493139834 /nfs/dbraw/zinc/13/98/34/493139834.db2.gz CYRLVNHMPVXBHA-OLMNPRSZSA-N 2 1 372.469 0.839 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000627325395 493153980 /nfs/dbraw/zinc/15/39/80/493153980.db2.gz IASSTBORECJVQT-NQBHXWOUSA-N 2 1 362.396 0.325 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647058540 493155124 /nfs/dbraw/zinc/15/51/24/493155124.db2.gz PSNWYLTVAVIENI-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647058540 493155125 /nfs/dbraw/zinc/15/51/25/493155125.db2.gz PSNWYLTVAVIENI-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647058540 493155129 /nfs/dbraw/zinc/15/51/29/493155129.db2.gz PSNWYLTVAVIENI-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000627329038 493156244 /nfs/dbraw/zinc/15/62/44/493156244.db2.gz XVPUCVNHIUKIRB-WJFTUGDTSA-N 2 1 370.497 0.881 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659111110 493158293 /nfs/dbraw/zinc/15/82/93/493158293.db2.gz FVGYCBVQGNMYAG-RRFJBIMHSA-N 2 1 362.474 0.958 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627360999 493177715 /nfs/dbraw/zinc/17/77/15/493177715.db2.gz CBTYAQHHQKZVOL-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627360999 493177717 /nfs/dbraw/zinc/17/77/17/493177717.db2.gz CBTYAQHHQKZVOL-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641215108 493182311 /nfs/dbraw/zinc/18/23/11/493182311.db2.gz MZWWLJOZUKLUOB-FQEVSTJZSA-N 2 1 372.517 0.737 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641215108 493182315 /nfs/dbraw/zinc/18/23/15/493182315.db2.gz MZWWLJOZUKLUOB-FQEVSTJZSA-N 3 1 372.517 0.737 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641215108 493182319 /nfs/dbraw/zinc/18/23/19/493182319.db2.gz MZWWLJOZUKLUOB-FQEVSTJZSA-N 3 1 372.517 0.737 20 0 FCADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn2)c1 ZINC000641224626 493185938 /nfs/dbraw/zinc/18/59/38/493185938.db2.gz WOBCKIQPCHAFAA-INIZCTEOSA-N 2 1 360.462 0.804 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000627388255 493196450 /nfs/dbraw/zinc/19/64/50/493196450.db2.gz PKBGUROBWDSCCZ-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627393759 493199738 /nfs/dbraw/zinc/19/97/38/493199738.db2.gz JQARDLIDHAOMBQ-QZTJIDSGSA-N 2 1 374.485 0.118 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659600621 493219025 /nfs/dbraw/zinc/21/90/25/493219025.db2.gz AYFBPWWXKIVFCR-HZPDHXFCSA-N 2 1 365.522 0.890 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659600617 493219362 /nfs/dbraw/zinc/21/93/62/493219362.db2.gz AYFBPWWXKIVFCR-HOTGVXAUSA-N 2 1 365.522 0.890 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630218 493223605 /nfs/dbraw/zinc/22/36/05/493223605.db2.gz GXOQQHRKBNGBQD-IUODEOHRSA-N 2 1 360.462 0.799 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672696436 493234419 /nfs/dbraw/zinc/23/44/19/493234419.db2.gz XJRBKTALTKXCMQ-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CC1(C)CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1CCO ZINC000667014721 493248654 /nfs/dbraw/zinc/24/86/54/493248654.db2.gz JQGQJVTUTSZAGZ-UHFFFAOYSA-N 2 1 360.458 0.186 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659683304 493249785 /nfs/dbraw/zinc/24/97/85/493249785.db2.gz QGMQNOWEWGVBBX-OKILXGFUSA-N 2 1 354.495 0.378 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659683304 493249787 /nfs/dbraw/zinc/24/97/87/493249787.db2.gz QGMQNOWEWGVBBX-OKILXGFUSA-N 2 1 354.495 0.378 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659689127 493254615 /nfs/dbraw/zinc/25/46/15/493254615.db2.gz TVDZPONLHPVJLT-QGZVFWFLSA-N 2 1 360.502 0.863 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659695575 493257481 /nfs/dbraw/zinc/25/74/81/493257481.db2.gz AXHYNTBDSXHYHV-ZBFHGGJFSA-N 2 1 364.515 0.444 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659695575 493257484 /nfs/dbraw/zinc/25/74/84/493257484.db2.gz AXHYNTBDSXHYHV-ZBFHGGJFSA-N 2 1 364.515 0.444 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659695079 493258055 /nfs/dbraw/zinc/25/80/55/493258055.db2.gz RHTMYORUNGRGHF-KYJSFNMBSA-N 2 1 362.518 0.824 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000659700172 493261077 /nfs/dbraw/zinc/26/10/77/493261077.db2.gz CRLIZGDJOILEDY-GUTXKFCHSA-N 2 1 352.504 0.971 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672882329 493262649 /nfs/dbraw/zinc/26/26/49/493262649.db2.gz RLKKKKVQDAQPIK-UHFFFAOYSA-N 2 1 355.527 0.112 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704040 493263604 /nfs/dbraw/zinc/26/36/04/493263604.db2.gz HUTHKBDBLNXWNV-QZTJIDSGSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCC1)Cc1ccc(F)cc1 ZINC000659707436 493265121 /nfs/dbraw/zinc/26/51/21/493265121.db2.gz IRFRZYPMDLLJRE-UHFFFAOYSA-N 2 1 350.438 0.761 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659722452 493272817 /nfs/dbraw/zinc/27/28/17/493272817.db2.gz FKILEUMLWPBSMG-GDBMZVCRSA-N 2 1 352.479 0.004 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659724933 493273458 /nfs/dbraw/zinc/27/34/58/493273458.db2.gz SUVMULJDWGLPBH-UHFFFAOYSA-N 2 1 369.416 0.120 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670889 493275764 /nfs/dbraw/zinc/27/57/64/493275764.db2.gz RCRXCWVAJUMNQL-SJORKVTESA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670889 493275765 /nfs/dbraw/zinc/27/57/65/493275765.db2.gz RCRXCWVAJUMNQL-SJORKVTESA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000641670889 493275767 /nfs/dbraw/zinc/27/57/67/493275767.db2.gz RCRXCWVAJUMNQL-SJORKVTESA-N 2 1 370.563 0.337 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC000659734613 493278555 /nfs/dbraw/zinc/27/85/55/493278555.db2.gz AADBFFVTLDWPNL-NVXWUHKLSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000659943077 493305767 /nfs/dbraw/zinc/30/57/67/493305767.db2.gz QOSRTQAGYATAGG-KRWDZBQOSA-N 2 1 351.495 0.563 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000659943077 493305772 /nfs/dbraw/zinc/30/57/72/493305772.db2.gz QOSRTQAGYATAGG-KRWDZBQOSA-N 2 1 351.495 0.563 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000673270153 493309655 /nfs/dbraw/zinc/30/96/55/493309655.db2.gz KXMHFQVODUCBGT-JKSUJKDBSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000673270153 493309658 /nfs/dbraw/zinc/30/96/58/493309658.db2.gz KXMHFQVODUCBGT-JKSUJKDBSA-N 2 1 356.511 0.447 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000660163336 493331625 /nfs/dbraw/zinc/33/16/25/493331625.db2.gz ODNRHSZCLPBNPJ-HZPDHXFCSA-N 2 1 359.474 0.671 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000660163336 493331627 /nfs/dbraw/zinc/33/16/27/493331627.db2.gz ODNRHSZCLPBNPJ-HZPDHXFCSA-N 2 1 359.474 0.671 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000668547670 493374427 /nfs/dbraw/zinc/37/44/27/493374427.db2.gz AHQXNTUXFNFLID-HKUYNNGSSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000668547670 493374429 /nfs/dbraw/zinc/37/44/29/493374429.db2.gz AHQXNTUXFNFLID-HKUYNNGSSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668547670 493374432 /nfs/dbraw/zinc/37/44/32/493374432.db2.gz AHQXNTUXFNFLID-HKUYNNGSSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668547670 493374436 /nfs/dbraw/zinc/37/44/36/493374436.db2.gz AHQXNTUXFNFLID-HKUYNNGSSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000668584770 493380370 /nfs/dbraw/zinc/38/03/70/493380370.db2.gz FIZHEVKULWRJSI-ROUUACIJSA-N 2 1 362.518 0.968 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860984 493388110 /nfs/dbraw/zinc/38/81/10/493388110.db2.gz ADGKJFVZBAFDQU-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660860984 493388111 /nfs/dbraw/zinc/38/81/11/493388111.db2.gz ADGKJFVZBAFDQU-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660860984 493388113 /nfs/dbraw/zinc/38/81/13/493388113.db2.gz ADGKJFVZBAFDQU-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+](CCN3CCOCC3)CC3CC3)cn2)CC1 ZINC000668681895 493395816 /nfs/dbraw/zinc/39/58/16/493395816.db2.gz RPHPOKFYBRRUNV-UHFFFAOYSA-N 2 1 374.533 0.773 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCN3CCOCC3)CC3CC3)cn2)CC1 ZINC000668681895 493395818 /nfs/dbraw/zinc/39/58/18/493395818.db2.gz RPHPOKFYBRRUNV-UHFFFAOYSA-N 2 1 374.533 0.773 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729010 493402750 /nfs/dbraw/zinc/40/27/50/493402750.db2.gz ZFVHQOXNGDAHJI-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729010 493402752 /nfs/dbraw/zinc/40/27/52/493402752.db2.gz ZFVHQOXNGDAHJI-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729012 493403145 /nfs/dbraw/zinc/40/31/45/493403145.db2.gz ZFVHQOXNGDAHJI-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000668729012 493403148 /nfs/dbraw/zinc/40/31/48/493403148.db2.gz ZFVHQOXNGDAHJI-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP COC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329506 493408890 /nfs/dbraw/zinc/40/88/90/493408890.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 2 1 367.538 0.565 20 0 FCADMP COC1CC[NH+](CCNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000674329506 493408891 /nfs/dbraw/zinc/40/88/91/493408891.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 2 1 367.538 0.565 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841170 493419763 /nfs/dbraw/zinc/41/97/63/493419763.db2.gz HGBKWEVYOBYBDC-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000668841170 493419766 /nfs/dbraw/zinc/41/97/66/493419766.db2.gz HGBKWEVYOBYBDC-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000668841170 493419768 /nfs/dbraw/zinc/41/97/68/493419768.db2.gz HGBKWEVYOBYBDC-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661232703 493420085 /nfs/dbraw/zinc/42/00/85/493420085.db2.gz HTEKRBIEBOPIQL-MSOLQXFVSA-N 2 1 371.485 0.815 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000661231712 493420293 /nfs/dbraw/zinc/42/02/93/493420293.db2.gz SMHDUAHTBBFPLH-MRXNPFEDSA-N 2 1 353.511 0.762 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)CC2)c1 ZINC000661408726 493435291 /nfs/dbraw/zinc/43/52/91/493435291.db2.gz BCBLYTQDUQASND-SJORKVTESA-N 2 1 371.485 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)CC2)c1 ZINC000661408726 493435293 /nfs/dbraw/zinc/43/52/93/493435293.db2.gz BCBLYTQDUQASND-SJORKVTESA-N 2 1 371.485 0.591 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277034 493472330 /nfs/dbraw/zinc/47/23/30/493472330.db2.gz BYDBDHRINVUPJD-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277034 493472334 /nfs/dbraw/zinc/47/23/34/493472334.db2.gz BYDBDHRINVUPJD-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277034 493472337 /nfs/dbraw/zinc/47/23/37/493472337.db2.gz BYDBDHRINVUPJD-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277034 493472340 /nfs/dbraw/zinc/47/23/40/493472340.db2.gz BYDBDHRINVUPJD-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675189990 493472778 /nfs/dbraw/zinc/47/27/78/493472778.db2.gz FXUKRCWFJJWTAT-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306598 493473329 /nfs/dbraw/zinc/47/33/29/493473329.db2.gz GXJSTRIOCWUWLQ-YOEHRIQHSA-N 2 1 357.458 0.329 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000661948149 493478069 /nfs/dbraw/zinc/47/80/69/493478069.db2.gz UCPDIHHGFRJDKC-XYTVBORESA-N 2 1 365.522 0.854 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000661948149 493478071 /nfs/dbraw/zinc/47/80/71/493478071.db2.gz UCPDIHHGFRJDKC-XYTVBORESA-N 2 1 365.522 0.854 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000661948149 493478073 /nfs/dbraw/zinc/47/80/73/493478073.db2.gz UCPDIHHGFRJDKC-XYTVBORESA-N 2 1 365.522 0.854 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342983 493481376 /nfs/dbraw/zinc/48/13/76/493481376.db2.gz RHRVDXLDOPXDAL-LZWOXQAQSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342983 493481378 /nfs/dbraw/zinc/48/13/78/493481378.db2.gz RHRVDXLDOPXDAL-LZWOXQAQSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344604 493482236 /nfs/dbraw/zinc/48/22/36/493482236.db2.gz ZDCZIVMBOWKQOR-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344604 493482237 /nfs/dbraw/zinc/48/22/37/493482237.db2.gz ZDCZIVMBOWKQOR-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662261679 493500827 /nfs/dbraw/zinc/50/08/27/493500827.db2.gz MIBNQMGNTAOALG-SQNIBIBYSA-N 2 1 364.534 0.820 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000669396725 493502154 /nfs/dbraw/zinc/50/21/54/493502154.db2.gz CHLFSPRJGGWURK-QAPCUYQASA-N 2 1 362.474 0.776 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296819 493504330 /nfs/dbraw/zinc/50/43/30/493504330.db2.gz NMRZZZPUTHEVDG-ZWKOTPCHSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486515 493506417 /nfs/dbraw/zinc/50/64/17/493506417.db2.gz TYASLZMHXLQTML-QZTJIDSGSA-N 2 1 367.538 0.600 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570333 493511527 /nfs/dbraw/zinc/51/15/27/493511527.db2.gz SPEOGACJWXNDGG-DLBZAZTESA-N 2 1 364.515 0.892 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000662457755 493517923 /nfs/dbraw/zinc/51/79/23/493517923.db2.gz MUROSBFFFITUTQ-AYOQOUSVSA-N 2 1 374.533 0.316 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnn1C ZINC000662457755 493517926 /nfs/dbraw/zinc/51/79/26/493517926.db2.gz MUROSBFFFITUTQ-AYOQOUSVSA-N 2 1 374.533 0.316 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000676001471 493518063 /nfs/dbraw/zinc/51/80/63/493518063.db2.gz KIBVWBZSQAWTOH-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000662462856 493518162 /nfs/dbraw/zinc/51/81/62/493518162.db2.gz OYERRJTVSVBEBT-MJGOQNOKSA-N 2 1 358.486 0.744 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662517145 493522792 /nfs/dbraw/zinc/52/27/92/493522792.db2.gz RTIANJFVYKZPDM-DOMZBBRYSA-N 2 1 367.291 0.955 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000662658324 493530300 /nfs/dbraw/zinc/53/03/00/493530300.db2.gz DHIIUAHOKZAULK-SJORKVTESA-N 2 1 367.515 0.524 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000662722723 493534733 /nfs/dbraw/zinc/53/47/33/493534733.db2.gz ICUXVACXKSAGKN-BZUAXINKSA-N 2 1 364.494 0.510 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1C[C@@H](C)O ZINC000662722723 493534735 /nfs/dbraw/zinc/53/47/35/493534735.db2.gz ICUXVACXKSAGKN-BZUAXINKSA-N 2 1 364.494 0.510 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676308446 493544795 /nfs/dbraw/zinc/54/47/95/493544795.db2.gz WWZLRDWGVCXNQX-ULQDDVLXSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676308446 493544796 /nfs/dbraw/zinc/54/47/96/493544796.db2.gz WWZLRDWGVCXNQX-ULQDDVLXSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676308446 493544797 /nfs/dbraw/zinc/54/47/97/493544797.db2.gz WWZLRDWGVCXNQX-ULQDDVLXSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676308446 493544798 /nfs/dbraw/zinc/54/47/98/493544798.db2.gz WWZLRDWGVCXNQX-ULQDDVLXSA-N 2 1 353.511 0.127 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836937 493546157 /nfs/dbraw/zinc/54/61/57/493546157.db2.gz IPYVIZVOSMFXAH-KGLIPLIRSA-N 2 1 362.478 0.459 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394348 493548943 /nfs/dbraw/zinc/54/89/43/493548943.db2.gz ZTBZDBPUOZPBSJ-CTNGQTDRSA-N 2 1 373.497 0.993 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1=O ZINC000662895654 493550143 /nfs/dbraw/zinc/55/01/43/493550143.db2.gz FIUCYSIXAWLADX-QZWWFDLISA-N 2 1 350.507 0.905 20 0 FCADMP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899112 493550174 /nfs/dbraw/zinc/55/01/74/493550174.db2.gz BKEZIXLFTFDJMY-SFHVURJKSA-N 2 1 374.533 0.589 20 0 FCADMP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899112 493550175 /nfs/dbraw/zinc/55/01/75/493550175.db2.gz BKEZIXLFTFDJMY-SFHVURJKSA-N 2 1 374.533 0.589 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000662947994 493559558 /nfs/dbraw/zinc/55/95/58/493559558.db2.gz DVPZSCFAKXZUNA-MSOLQXFVSA-N 2 1 358.486 0.712 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000662956991 493560744 /nfs/dbraw/zinc/56/07/44/493560744.db2.gz CTEHRRSBCRDTEE-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000662961568 493561508 /nfs/dbraw/zinc/56/15/08/493561508.db2.gz FKMQBXGHTQUEMW-DLBZAZTESA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000670429622 493565455 /nfs/dbraw/zinc/56/54/55/493565455.db2.gz DRTSOJLNFZGTGB-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670509737 493576564 /nfs/dbraw/zinc/57/65/64/493576564.db2.gz BUDYCBQFXYKREU-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670509737 493576566 /nfs/dbraw/zinc/57/65/66/493576566.db2.gz BUDYCBQFXYKREU-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000670526183 493577003 /nfs/dbraw/zinc/57/70/03/493577003.db2.gz VOFRJJPZGNPGGK-CABCVRRESA-N 2 1 350.463 0.988 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000670526568 493577056 /nfs/dbraw/zinc/57/70/56/493577056.db2.gz QPYJGTITVZIBEF-HIFRSBDPSA-N 2 1 350.463 0.845 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000670526199 493577208 /nfs/dbraw/zinc/57/72/08/493577208.db2.gz WWRYIJAAJHJYQN-INIZCTEOSA-N 2 1 371.441 0.742 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000670628480 493581161 /nfs/dbraw/zinc/58/11/61/493581161.db2.gz FQZAGLXMBIVSNZ-RBUKOAKNSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000677007262 493581537 /nfs/dbraw/zinc/58/15/37/493581537.db2.gz AMQPPCNRHLJPKY-LJQANCHMSA-N 2 1 363.506 0.420 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)C2)CC1 ZINC000677331468 493596636 /nfs/dbraw/zinc/59/66/36/493596636.db2.gz OBLQEHRSQWEFTQ-DLBZAZTESA-N 2 1 365.522 0.700 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663558603 493597789 /nfs/dbraw/zinc/59/77/89/493597789.db2.gz UVOSFSGUVJHCHH-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000663562756 493599328 /nfs/dbraw/zinc/59/93/28/493599328.db2.gz CLLQKCSCBJXQJL-INIZCTEOSA-N 2 1 363.510 0.628 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663580580 493601081 /nfs/dbraw/zinc/60/10/81/493601081.db2.gz SNZJPWIZIQFOCJ-SFHVURJKSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663580580 493601083 /nfs/dbraw/zinc/60/10/83/493601083.db2.gz SNZJPWIZIQFOCJ-SFHVURJKSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663580580 493601085 /nfs/dbraw/zinc/60/10/85/493601085.db2.gz SNZJPWIZIQFOCJ-SFHVURJKSA-N 2 1 367.538 0.253 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663692734 493612623 /nfs/dbraw/zinc/61/26/23/493612623.db2.gz XDRZMADIQZYHFE-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000670984505 493619672 /nfs/dbraw/zinc/61/96/72/493619672.db2.gz MYDYFULBNYEHSG-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000670997794 493621788 /nfs/dbraw/zinc/62/17/88/493621788.db2.gz LEXOAJBBZOATBI-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000671032645 493624805 /nfs/dbraw/zinc/62/48/05/493624805.db2.gz BWUKUFIJLLTDSW-MRXNPFEDSA-N 2 1 370.563 0.922 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000671032645 493624807 /nfs/dbraw/zinc/62/48/07/493624807.db2.gz BWUKUFIJLLTDSW-MRXNPFEDSA-N 2 1 370.563 0.922 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677941436 493626012 /nfs/dbraw/zinc/62/60/12/493626012.db2.gz FWHPNWIIMYNAIO-IPMKNSEASA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677941436 493626013 /nfs/dbraw/zinc/62/60/13/493626013.db2.gz FWHPNWIIMYNAIO-IPMKNSEASA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000677941436 493626016 /nfs/dbraw/zinc/62/60/16/493626016.db2.gz FWHPNWIIMYNAIO-IPMKNSEASA-N 2 1 358.486 0.128 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091512 493632086 /nfs/dbraw/zinc/63/20/86/493632086.db2.gz NSGOTABJCAOSIQ-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(N2CCC[C@@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)nc(C)[nH+]1 ZINC000664047512 493632087 /nfs/dbraw/zinc/63/20/87/493632087.db2.gz OCQLFXRXXVVYJP-PMPSAXMXSA-N 2 1 362.478 0.379 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100329 493632878 /nfs/dbraw/zinc/63/28/78/493632878.db2.gz BJPUYIAHZWGCAT-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671102509 493633664 /nfs/dbraw/zinc/63/36/64/493633664.db2.gz PRLOYABOMDTCMA-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104573 493635067 /nfs/dbraw/zinc/63/50/67/493635067.db2.gz WEPMBMPKUBKBLT-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000671108077 493635793 /nfs/dbraw/zinc/63/57/93/493635793.db2.gz MQOMOUOKQCIBIN-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671106643 493636112 /nfs/dbraw/zinc/63/61/12/493636112.db2.gz WSCXIQWPKNYPQQ-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671106643 493636113 /nfs/dbraw/zinc/63/61/13/493636113.db2.gz WSCXIQWPKNYPQQ-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671106643 493636114 /nfs/dbraw/zinc/63/61/14/493636114.db2.gz WSCXIQWPKNYPQQ-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671106643 493636115 /nfs/dbraw/zinc/63/61/15/493636115.db2.gz WSCXIQWPKNYPQQ-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671108374 493636571 /nfs/dbraw/zinc/63/65/71/493636571.db2.gz XTPUUIWRUAQBTC-LTIDMASMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108374 493636575 /nfs/dbraw/zinc/63/65/75/493636575.db2.gz XTPUUIWRUAQBTC-LTIDMASMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108374 493636578 /nfs/dbraw/zinc/63/65/78/493636578.db2.gz XTPUUIWRUAQBTC-LTIDMASMSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671108360 493636691 /nfs/dbraw/zinc/63/66/91/493636691.db2.gz OIDMRNZOYDMIPA-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671108360 493636692 /nfs/dbraw/zinc/63/66/92/493636692.db2.gz OIDMRNZOYDMIPA-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671108360 493636693 /nfs/dbraw/zinc/63/66/93/493636693.db2.gz OIDMRNZOYDMIPA-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109920 493636715 /nfs/dbraw/zinc/63/67/15/493636715.db2.gz ZFFDTBJJHVVWJF-RDJZCZTQSA-N 2 1 357.458 0.473 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000671171654 493645451 /nfs/dbraw/zinc/64/54/51/493645451.db2.gz BELMTXDWOYXDJL-QGZVFWFLSA-N 2 1 369.554 0.221 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181080 493647893 /nfs/dbraw/zinc/64/78/93/493647893.db2.gz BOEHQVNCFYITHH-SJORKVTESA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181080 493647895 /nfs/dbraw/zinc/64/78/95/493647895.db2.gz BOEHQVNCFYITHH-SJORKVTESA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000679316636 493675431 /nfs/dbraw/zinc/67/54/31/493675431.db2.gz SRVPYQYMSZPLQR-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000679316636 493675433 /nfs/dbraw/zinc/67/54/33/493675433.db2.gz SRVPYQYMSZPLQR-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC000679369664 493676685 /nfs/dbraw/zinc/67/66/85/493676685.db2.gz XMTSAFPEJHFUSZ-BBRMVZONSA-N 2 1 354.414 0.758 20 0 FCADMP O=C(NCC1(N2CCOCC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664758722 493681656 /nfs/dbraw/zinc/68/16/56/493681656.db2.gz FPAATGGTIJIGDV-INIZCTEOSA-N 2 1 352.479 0.092 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000679499840 493683157 /nfs/dbraw/zinc/68/31/57/493683157.db2.gz NPGZHNWFMOIIBD-GJZGRUSLSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000679499840 493683160 /nfs/dbraw/zinc/68/31/60/493683160.db2.gz NPGZHNWFMOIIBD-GJZGRUSLSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679499283 493683294 /nfs/dbraw/zinc/68/32/94/493683294.db2.gz FAUZCRVCGBEMPV-ZDUSSCGKSA-N 2 1 354.414 0.806 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679499283 493683296 /nfs/dbraw/zinc/68/32/96/493683296.db2.gz FAUZCRVCGBEMPV-ZDUSSCGKSA-N 2 1 354.414 0.806 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000665112348 493700971 /nfs/dbraw/zinc/70/09/71/493700971.db2.gz URNKPZNINAQMSJ-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000665112348 493700974 /nfs/dbraw/zinc/70/09/74/493700974.db2.gz URNKPZNINAQMSJ-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000671882858 493711337 /nfs/dbraw/zinc/71/13/37/493711337.db2.gz UNNLDHCYZSGNTP-JYJNAYRXSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000671882858 493711340 /nfs/dbraw/zinc/71/13/40/493711340.db2.gz UNNLDHCYZSGNTP-JYJNAYRXSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000671882858 493711343 /nfs/dbraw/zinc/71/13/43/493711343.db2.gz UNNLDHCYZSGNTP-JYJNAYRXSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000671882858 493711345 /nfs/dbraw/zinc/71/13/45/493711345.db2.gz UNNLDHCYZSGNTP-JYJNAYRXSA-N 2 1 354.495 0.058 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671894810 493712031 /nfs/dbraw/zinc/71/20/31/493712031.db2.gz NNBONCVFXUYMRI-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671894810 493712035 /nfs/dbraw/zinc/71/20/35/493712035.db2.gz NNBONCVFXUYMRI-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671894810 493712040 /nfs/dbraw/zinc/71/20/40/493712040.db2.gz NNBONCVFXUYMRI-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671894810 493712043 /nfs/dbraw/zinc/71/20/43/493712043.db2.gz NNBONCVFXUYMRI-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461327 493716068 /nfs/dbraw/zinc/71/60/68/493716068.db2.gz KMIIKOLMTKBUGM-MRXNPFEDSA-N 2 1 368.522 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461327 493716069 /nfs/dbraw/zinc/71/60/69/493716069.db2.gz KMIIKOLMTKBUGM-MRXNPFEDSA-N 2 1 368.522 0.585 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000672008442 493723610 /nfs/dbraw/zinc/72/36/10/493723610.db2.gz SCPLMYJPHSUDAJ-HOTGVXAUSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009151 493724009 /nfs/dbraw/zinc/72/40/09/493724009.db2.gz YXQNUMFWDFSLCR-CVEARBPZSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014963 493724824 /nfs/dbraw/zinc/72/48/24/493724824.db2.gz ZMZDEXFCTOEYCN-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000672014970 493725149 /nfs/dbraw/zinc/72/51/49/493725149.db2.gz ZMZDEXFCTOEYCN-XIRDDKMYSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672308023 493753477 /nfs/dbraw/zinc/75/34/77/493753477.db2.gz WLMCRBSSFMLWSP-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672308023 493753479 /nfs/dbraw/zinc/75/34/79/493753479.db2.gz WLMCRBSSFMLWSP-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672308023 493753480 /nfs/dbraw/zinc/75/34/80/493753480.db2.gz WLMCRBSSFMLWSP-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672308617 493753670 /nfs/dbraw/zinc/75/36/70/493753670.db2.gz VJWLVRMVYDNMMB-INIZCTEOSA-N 2 1 357.458 0.331 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309453 493754363 /nfs/dbraw/zinc/75/43/63/493754363.db2.gz NOJRHVKMBJCFGA-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCO1 ZINC000672309453 493754364 /nfs/dbraw/zinc/75/43/64/493754364.db2.gz NOJRHVKMBJCFGA-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCO1 ZINC000672309453 493754365 /nfs/dbraw/zinc/75/43/65/493754365.db2.gz NOJRHVKMBJCFGA-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311312 493754653 /nfs/dbraw/zinc/75/46/53/493754653.db2.gz CUISJHPRWQWUSD-YOEHRIQHSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581473 533996546 /nfs/dbraw/zinc/99/65/46/533996546.db2.gz BHMGACLPANKJHJ-DOTOQJQBSA-N 2 1 373.501 0.896 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581473 533996549 /nfs/dbraw/zinc/99/65/49/533996549.db2.gz BHMGACLPANKJHJ-DOTOQJQBSA-N 2 1 373.501 0.896 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410938517 534457274 /nfs/dbraw/zinc/45/72/74/534457274.db2.gz OPIPPMVOHOHCAP-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410938517 534457285 /nfs/dbraw/zinc/45/72/85/534457285.db2.gz OPIPPMVOHOHCAP-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000410733182 527819745 /nfs/dbraw/zinc/81/97/45/527819745.db2.gz OGBQXUFTSWVRTQ-MRXNPFEDSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC[N@H+]1C ZINC000410733182 527819749 /nfs/dbraw/zinc/81/97/49/527819749.db2.gz OGBQXUFTSWVRTQ-MRXNPFEDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847517 527823988 /nfs/dbraw/zinc/82/39/88/527823988.db2.gz WOSFUWXOGWOSOL-AEFFLSMTSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410978440 527828077 /nfs/dbraw/zinc/82/80/77/527828077.db2.gz LFUPSXPSZZXJEL-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410978440 527828081 /nfs/dbraw/zinc/82/80/81/527828081.db2.gz LFUPSXPSZZXJEL-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410978440 527828086 /nfs/dbraw/zinc/82/80/86/527828086.db2.gz LFUPSXPSZZXJEL-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000410812501 527843188 /nfs/dbraw/zinc/84/31/88/527843188.db2.gz XWGGWVPUNUONJC-DLBZAZTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000410812501 527843195 /nfs/dbraw/zinc/84/31/95/527843195.db2.gz XWGGWVPUNUONJC-DLBZAZTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000410812501 527843200 /nfs/dbraw/zinc/84/32/00/527843200.db2.gz XWGGWVPUNUONJC-DLBZAZTESA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000410431419 527989769 /nfs/dbraw/zinc/98/97/69/527989769.db2.gz HEVHXRZKTBQEJQ-QGZVFWFLSA-N 2 1 368.522 0.356 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000410839567 528145479 /nfs/dbraw/zinc/14/54/79/528145479.db2.gz CNMNRQFSZHYXKR-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1CCOC ZINC000410928642 528391886 /nfs/dbraw/zinc/39/18/86/528391886.db2.gz XILAZGNMSKXVFR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1CCOC ZINC000410928642 528391894 /nfs/dbraw/zinc/39/18/94/528391894.db2.gz XILAZGNMSKXVFR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1CCOC ZINC000410928642 528391896 /nfs/dbraw/zinc/39/18/96/528391896.db2.gz XILAZGNMSKXVFR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1CCOC ZINC000410928642 528391906 /nfs/dbraw/zinc/39/19/06/528391906.db2.gz XILAZGNMSKXVFR-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000410538196 528713618 /nfs/dbraw/zinc/71/36/18/528713618.db2.gz KCBFJCITNASRMH-KRWDZBQOSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000410538196 528713622 /nfs/dbraw/zinc/71/36/22/528713622.db2.gz KCBFJCITNASRMH-KRWDZBQOSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC000410779768 528714173 /nfs/dbraw/zinc/71/41/73/528714173.db2.gz MLCKBVOEKUZTFU-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CC[N@H+]1C ZINC000410779768 528714178 /nfs/dbraw/zinc/71/41/78/528714178.db2.gz MLCKBVOEKUZTFU-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC[NH+]1C ZINC000410779768 528714183 /nfs/dbraw/zinc/71/41/83/528714183.db2.gz MLCKBVOEKUZTFU-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC[NH+]1C ZINC000410779768 528714187 /nfs/dbraw/zinc/71/41/87/528714187.db2.gz MLCKBVOEKUZTFU-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000412479625 529005578 /nfs/dbraw/zinc/00/55/78/529005578.db2.gz RQYSHOLZRBGFPJ-KRWDZBQOSA-N 2 1 352.523 0.774 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000411031259 529074719 /nfs/dbraw/zinc/07/47/19/529074719.db2.gz SLFXIRNNIXEDIX-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031259 529074723 /nfs/dbraw/zinc/07/47/23/529074723.db2.gz SLFXIRNNIXEDIX-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031259 529074726 /nfs/dbraw/zinc/07/47/26/529074726.db2.gz SLFXIRNNIXEDIX-LPHOPBHVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@@H+]1CCOC ZINC000410974072 529354860 /nfs/dbraw/zinc/35/48/60/529354860.db2.gz ISGKEBHNWYLPSV-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC[N@H+]1CCOC ZINC000410974072 529354862 /nfs/dbraw/zinc/35/48/62/529354862.db2.gz ISGKEBHNWYLPSV-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC[NH+]1CCOC ZINC000410974072 529354863 /nfs/dbraw/zinc/35/48/63/529354863.db2.gz ISGKEBHNWYLPSV-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC[NH+]1CCOC ZINC000410974072 529354867 /nfs/dbraw/zinc/35/48/67/529354867.db2.gz ISGKEBHNWYLPSV-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419698213 535070746 /nfs/dbraw/zinc/07/07/46/535070746.db2.gz PFDUKKFCVNXJBV-APWZRJJASA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419696789 535071564 /nfs/dbraw/zinc/07/15/64/535071564.db2.gz NFQVOSMQDBBMSU-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419695580 535073950 /nfs/dbraw/zinc/07/39/50/535073950.db2.gz LAHDWQDVRZPFFK-JKSUJKDBSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419392782 535081397 /nfs/dbraw/zinc/08/13/97/535081397.db2.gz LSKSOJZETLXQSK-QGZVFWFLSA-N 2 1 358.486 0.889 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140578 535126308 /nfs/dbraw/zinc/12/63/08/535126308.db2.gz SNAQWLKCVYPUNW-LSDHHAIUSA-N 2 1 350.467 0.289 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423642444 535186604 /nfs/dbraw/zinc/18/66/04/535186604.db2.gz BWONWUAZMXEDKX-MRXNPFEDSA-N 2 1 361.490 0.802 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419171193 535200430 /nfs/dbraw/zinc/20/04/30/535200430.db2.gz XGLJMRIJFCIGRB-MRXNPFEDSA-N 2 1 362.474 0.247 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419949820 535305707 /nfs/dbraw/zinc/30/57/07/535305707.db2.gz HTBRJWBABVQNLY-YYIAUSFCSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419949820 535305708 /nfs/dbraw/zinc/30/57/08/535305708.db2.gz HTBRJWBABVQNLY-YYIAUSFCSA-N 2 1 368.522 0.576 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1=O ZINC000424029249 535552829 /nfs/dbraw/zinc/55/28/29/535552829.db2.gz ZEBNRHBLFGOCCY-VVLHAWIVSA-N 2 1 350.507 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1=O ZINC000424029248 535553230 /nfs/dbraw/zinc/55/32/30/535553230.db2.gz ZEBNRHBLFGOCCY-QBPKDAKJSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000415260571 535559067 /nfs/dbraw/zinc/55/90/67/535559067.db2.gz XENMILUCXWVQMZ-HIFRSBDPSA-N 2 1 359.474 0.779 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419842884 535595356 /nfs/dbraw/zinc/59/53/56/535595356.db2.gz ILMUMBLXGXBDQY-KRWDZBQOSA-N 2 1 361.490 0.620 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039829 535595974 /nfs/dbraw/zinc/59/59/74/535595974.db2.gz YYEUQDKDNINUGF-GJZGRUSLSA-N 2 1 351.499 0.934 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)CC1 ZINC000414936132 535597699 /nfs/dbraw/zinc/59/76/99/535597699.db2.gz BQKTWONNJQDKEA-KXBFYZLASA-N 2 1 369.506 0.925 20 0 FCADMP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423711249 535973184 /nfs/dbraw/zinc/97/31/84/535973184.db2.gz MASKKULQVDXDSA-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443078383 536116325 /nfs/dbraw/zinc/11/63/25/536116325.db2.gz WXSQXSUIXIZFOD-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000419416066 536123240 /nfs/dbraw/zinc/12/32/40/536123240.db2.gz VTZDJFOMUXXJRB-WMLDXEAASA-N 2 1 352.504 0.973 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409192 536150773 /nfs/dbraw/zinc/15/07/73/536150773.db2.gz DTRLBMYAWNUULY-XIRDDKMYSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409192 536150777 /nfs/dbraw/zinc/15/07/77/536150777.db2.gz DTRLBMYAWNUULY-XIRDDKMYSA-N 2 1 362.474 0.246 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424491815 536367698 /nfs/dbraw/zinc/36/76/98/536367698.db2.gz FXCMHQWHBZLECC-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423401757 536367787 /nfs/dbraw/zinc/36/77/87/536367787.db2.gz XHYJYYLLVIWWGR-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835714 536433586 /nfs/dbraw/zinc/43/35/86/536433586.db2.gz AOZFQZYJAYUHJL-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@@H](C)C1 ZINC000423862132 536453984 /nfs/dbraw/zinc/45/39/84/536453984.db2.gz RQFZBMRIGBSZBZ-HOCLYGCPSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@@H](C)C1 ZINC000423862132 536453987 /nfs/dbraw/zinc/45/39/87/536453987.db2.gz RQFZBMRIGBSZBZ-HOCLYGCPSA-N 2 1 363.462 0.517 20 0 FCADMP CCC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC000501791846 546566202 /nfs/dbraw/zinc/56/62/02/546566202.db2.gz GWLCRIWKIHJRMJ-MKXGPGLRSA-N 2 1 357.539 0.889 20 0 FCADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000093583090 546591896 /nfs/dbraw/zinc/59/18/96/546591896.db2.gz WLJBJFGNJJZSMQ-GOSISDBHSA-N 2 1 351.491 0.752 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000592387761 546636230 /nfs/dbraw/zinc/63/62/30/546636230.db2.gz ANHXTQFCDQKKHW-HNNXBMFYSA-N 2 1 355.460 0.274 20 0 FCADMP COCC[NH2+]CCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418505927 546906798 /nfs/dbraw/zinc/90/67/98/546906798.db2.gz GMTDZAJYLYJYOX-IYBDPMFKSA-N 2 1 356.511 0.753 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000550623092 547091682 /nfs/dbraw/zinc/09/16/82/547091682.db2.gz RTZJRSLHMSLYBJ-RHSMWYFYSA-N 2 1 353.488 0.758 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000550903533 547113543 /nfs/dbraw/zinc/11/35/43/547113543.db2.gz ZKFBYSYYEIDLNU-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000550903533 547113549 /nfs/dbraw/zinc/11/35/49/547113549.db2.gz ZKFBYSYYEIDLNU-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000550903533 547113555 /nfs/dbraw/zinc/11/35/55/547113555.db2.gz ZKFBYSYYEIDLNU-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911654 547114326 /nfs/dbraw/zinc/11/43/26/547114326.db2.gz UERQHEBOYJDOCI-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903876 547114384 /nfs/dbraw/zinc/11/43/84/547114384.db2.gz LARHLENHJVOUFE-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550903876 547114390 /nfs/dbraw/zinc/11/43/90/547114390.db2.gz LARHLENHJVOUFE-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550903876 547114396 /nfs/dbraw/zinc/11/43/96/547114396.db2.gz LARHLENHJVOUFE-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911653 547115252 /nfs/dbraw/zinc/11/52/52/547115252.db2.gz UERQHEBOYJDOCI-PBHICJAKSA-N 2 1 350.507 0.776 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000550954602 547117504 /nfs/dbraw/zinc/11/75/04/547117504.db2.gz BUYGGNLXCKTSQH-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000551039523 547121150 /nfs/dbraw/zinc/12/11/50/547121150.db2.gz KLDRPGZZOOYLOX-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278626 547138457 /nfs/dbraw/zinc/13/84/57/547138457.db2.gz SALOZDNGHCROLA-JKSUJKDBSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278626 547138461 /nfs/dbraw/zinc/13/84/61/547138461.db2.gz SALOZDNGHCROLA-JKSUJKDBSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278626 547138466 /nfs/dbraw/zinc/13/84/66/547138466.db2.gz SALOZDNGHCROLA-JKSUJKDBSA-N 2 1 350.507 0.681 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551282059 547139115 /nfs/dbraw/zinc/13/91/15/547139115.db2.gz QGRSEFTWWCMDQD-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551282059 547139121 /nfs/dbraw/zinc/13/91/21/547139121.db2.gz QGRSEFTWWCMDQD-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000551282059 547139127 /nfs/dbraw/zinc/13/91/27/547139127.db2.gz QGRSEFTWWCMDQD-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624554 547156834 /nfs/dbraw/zinc/15/68/34/547156834.db2.gz WDOXGMIWKKJGRU-CZUORRHYSA-N 2 1 350.507 0.964 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000552970915 547243973 /nfs/dbraw/zinc/24/39/73/547243973.db2.gz VYBPWDRMINPQGO-UHFFFAOYSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000552970915 547243977 /nfs/dbraw/zinc/24/39/77/547243977.db2.gz VYBPWDRMINPQGO-UHFFFAOYSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000552970915 547243981 /nfs/dbraw/zinc/24/39/81/547243981.db2.gz VYBPWDRMINPQGO-UHFFFAOYSA-N 2 1 356.511 0.260 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1CC1 ZINC000553099388 547253331 /nfs/dbraw/zinc/25/33/31/547253331.db2.gz PJDIEZFAADLAGB-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000553099388 547253333 /nfs/dbraw/zinc/25/33/33/547253333.db2.gz PJDIEZFAADLAGB-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000553099388 547253337 /nfs/dbraw/zinc/25/33/37/547253337.db2.gz PJDIEZFAADLAGB-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000553359651 547272507 /nfs/dbraw/zinc/27/25/07/547272507.db2.gz AVGCIQKASYZMBA-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553359651 547272509 /nfs/dbraw/zinc/27/25/09/547272509.db2.gz AVGCIQKASYZMBA-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000553359651 547272511 /nfs/dbraw/zinc/27/25/11/547272511.db2.gz AVGCIQKASYZMBA-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000949186999 674396695 /nfs/dbraw/zinc/39/66/95/674396695.db2.gz BBIZSMWBYJSKNC-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC2)C[NH+](CC2CC2)CCO3)O1 ZINC000949394753 674403722 /nfs/dbraw/zinc/40/37/22/674403722.db2.gz CBZHBYAIYATAGU-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CC2)C[NH+](CC2CC2)CCO3)O1 ZINC000949394753 674403723 /nfs/dbraw/zinc/40/37/23/674403723.db2.gz CBZHBYAIYATAGU-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC2)C[N@H+](CC2CC2)CCO3)O1 ZINC000949394753 674403725 /nfs/dbraw/zinc/40/37/25/674403725.db2.gz CBZHBYAIYATAGU-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC2)C[N@@H+](CC2CC2)CCO3)O1 ZINC000949394753 674403726 /nfs/dbraw/zinc/40/37/26/674403726.db2.gz CBZHBYAIYATAGU-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949838483 674414047 /nfs/dbraw/zinc/41/40/47/674414047.db2.gz KCRRMWYXFDOSPJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000736766903 598333146 /nfs/dbraw/zinc/33/31/46/598333146.db2.gz INSKFYSPGSYHDH-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736856671 599489038 /nfs/dbraw/zinc/48/90/38/599489038.db2.gz MHTQBQUPHUJXTQ-UHFFFAOYSA-N 2 1 369.477 0.632 20 0 FCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161267 599644195 /nfs/dbraw/zinc/64/41/95/599644195.db2.gz XZBWODKKLDNQLH-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161267 599644196 /nfs/dbraw/zinc/64/41/96/599644196.db2.gz XZBWODKKLDNQLH-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161267 599644197 /nfs/dbraw/zinc/64/41/97/599644197.db2.gz XZBWODKKLDNQLH-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161267 599644198 /nfs/dbraw/zinc/64/41/98/599644198.db2.gz XZBWODKKLDNQLH-GOEBONIOSA-N 2 1 360.462 0.880 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000956021392 674516533 /nfs/dbraw/zinc/51/65/33/674516533.db2.gz BAVKJHHEFOGKJC-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000957013857 674533446 /nfs/dbraw/zinc/53/34/46/674533446.db2.gz KVZZDDAUFLLVTH-OGWOLHLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000957013857 674533447 /nfs/dbraw/zinc/53/34/47/674533447.db2.gz KVZZDDAUFLLVTH-OGWOLHLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000957013857 674533449 /nfs/dbraw/zinc/53/34/49/674533449.db2.gz KVZZDDAUFLLVTH-OGWOLHLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566392 674546071 /nfs/dbraw/zinc/54/60/71/674546071.db2.gz OAQKNGNKYGKGQW-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566392 674546075 /nfs/dbraw/zinc/54/60/75/674546075.db2.gz OAQKNGNKYGKGQW-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989478819 665817040 /nfs/dbraw/zinc/81/70/40/665817040.db2.gz PUXUZDIVTHXUKF-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCc2ccns2)C1 ZINC000969945598 663209137 /nfs/dbraw/zinc/20/91/37/663209137.db2.gz XDACEKFLZGLIHX-XJKCOSOUSA-N 2 1 352.504 0.841 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCc2ccns2)C1 ZINC000969945598 663209140 /nfs/dbraw/zinc/20/91/40/663209140.db2.gz XDACEKFLZGLIHX-XJKCOSOUSA-N 2 1 352.504 0.841 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCNC1=O ZINC000891079839 663302360 /nfs/dbraw/zinc/30/23/60/663302360.db2.gz OZTDCRCEPBYWGS-OAHLLOKOSA-N 2 1 354.499 0.069 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001022103878 663404720 /nfs/dbraw/zinc/40/47/20/663404720.db2.gz OHFGSCCBDFSZAY-WCXIOVBPSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)CC[N@H+]1C ZINC001022104810 663404940 /nfs/dbraw/zinc/40/49/40/663404940.db2.gz DNGCYYFNCLPTNN-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001022106776 663405207 /nfs/dbraw/zinc/40/52/07/663405207.db2.gz NOSIZKUPDPZPBL-VVLHAWIVSA-N 2 1 350.507 0.966 20 0 FCADMP COCCC1(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000891604591 663418098 /nfs/dbraw/zinc/41/80/98/663418098.db2.gz ZCBRLJNDYCSYET-MRXNPFEDSA-N 2 1 355.527 0.328 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000891930404 663450944 /nfs/dbraw/zinc/45/09/44/663450944.db2.gz WOKJOTWDXUAIBF-GASCZTMLSA-N 2 1 351.495 0.180 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000891930404 663450946 /nfs/dbraw/zinc/45/09/46/663450946.db2.gz WOKJOTWDXUAIBF-GASCZTMLSA-N 2 1 351.495 0.180 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892036926 663469391 /nfs/dbraw/zinc/46/93/91/663469391.db2.gz QSWJUPUFZIIEOD-SJORKVTESA-N 2 1 355.527 0.456 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)F ZINC000892153370 663481891 /nfs/dbraw/zinc/48/18/91/663481891.db2.gz YKKWFVIUERXTCS-ZIAGYGMSSA-N 2 1 363.453 0.065 20 0 FCADMP COCCC1(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000892233507 663497808 /nfs/dbraw/zinc/49/78/08/663497808.db2.gz XGTMHZCCNRLIFR-OAGGEKHMSA-N 2 1 356.511 0.942 20 0 FCADMP COCCC1(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000892233507 663497809 /nfs/dbraw/zinc/49/78/09/663497809.db2.gz XGTMHZCCNRLIFR-OAGGEKHMSA-N 2 1 356.511 0.942 20 0 FCADMP C[C@@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)CN1CC[NH+](C)CC1 ZINC000924489525 663611030 /nfs/dbraw/zinc/61/10/30/663611030.db2.gz ALFXVJXTAFYNCS-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001023371718 663619765 /nfs/dbraw/zinc/61/97/65/663619765.db2.gz DBXHFMKHCULQAS-HRCADAONSA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001023371718 663619767 /nfs/dbraw/zinc/61/97/67/663619767.db2.gz DBXHFMKHCULQAS-HRCADAONSA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001023371718 663619769 /nfs/dbraw/zinc/61/97/69/663619769.db2.gz DBXHFMKHCULQAS-HRCADAONSA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001023371718 663619770 /nfs/dbraw/zinc/61/97/70/663619770.db2.gz DBXHFMKHCULQAS-HRCADAONSA-N 2 1 359.536 0.590 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000892649786 664059102 /nfs/dbraw/zinc/05/91/02/664059102.db2.gz MAJQUUIQTGRGJY-XHSDSOJGSA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892649786 664059105 /nfs/dbraw/zinc/05/91/05/664059105.db2.gz MAJQUUIQTGRGJY-XHSDSOJGSA-N 2 1 351.495 0.132 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892649786 664059106 /nfs/dbraw/zinc/05/91/06/664059106.db2.gz MAJQUUIQTGRGJY-XHSDSOJGSA-N 2 1 351.495 0.132 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000973330383 664099253 /nfs/dbraw/zinc/09/92/53/664099253.db2.gz IQFVMDYTRLDWQG-FHULIHMCSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000973330383 664099254 /nfs/dbraw/zinc/09/92/54/664099254.db2.gz IQFVMDYTRLDWQG-FHULIHMCSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000973330383 664099258 /nfs/dbraw/zinc/09/92/58/664099258.db2.gz IQFVMDYTRLDWQG-FHULIHMCSA-N 2 1 350.507 0.820 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCCC[N@@H+]1CCO ZINC000892761390 664137708 /nfs/dbraw/zinc/13/77/08/664137708.db2.gz ZWDVSLBUQOQPBP-CVEARBPZSA-N 2 1 354.495 0.291 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892937234 664162267 /nfs/dbraw/zinc/16/22/67/664162267.db2.gz BSDMHQUOIRMQOQ-JKSUJKDBSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000892937234 664162270 /nfs/dbraw/zinc/16/22/70/664162270.db2.gz BSDMHQUOIRMQOQ-JKSUJKDBSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892937233 664162275 /nfs/dbraw/zinc/16/22/75/664162275.db2.gz BSDMHQUOIRMQOQ-HZPDHXFCSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000892937233 664162279 /nfs/dbraw/zinc/16/22/79/664162279.db2.gz BSDMHQUOIRMQOQ-HZPDHXFCSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053352 664201986 /nfs/dbraw/zinc/20/19/86/664201986.db2.gz MJHHSDPIMHQWGX-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893053352 664201988 /nfs/dbraw/zinc/20/19/88/664201988.db2.gz MJHHSDPIMHQWGX-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893053352 664201992 /nfs/dbraw/zinc/20/19/92/664201992.db2.gz MJHHSDPIMHQWGX-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000893054035 664202056 /nfs/dbraw/zinc/20/20/56/664202056.db2.gz UDINOCFLGIBANA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000893054035 664202057 /nfs/dbraw/zinc/20/20/57/664202057.db2.gz UDINOCFLGIBANA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000893054035 664202058 /nfs/dbraw/zinc/20/20/58/664202058.db2.gz UDINOCFLGIBANA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001026496544 664239185 /nfs/dbraw/zinc/23/91/85/664239185.db2.gz IZOCXFMXJJISFM-RDHHWEPZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC(=O)N3CCC3)CC2(C)C)CC[N@@H+]1C ZINC000974601189 664266590 /nfs/dbraw/zinc/26/65/90/664266590.db2.gz ULGBRPYGZPEEGB-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC(=O)N3CCC3)CC2(C)C)CC[N@H+]1C ZINC000974601189 664266592 /nfs/dbraw/zinc/26/65/92/664266592.db2.gz ULGBRPYGZPEEGB-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)CC[NH+]1C ZINC000974601189 664266593 /nfs/dbraw/zinc/26/65/93/664266593.db2.gz ULGBRPYGZPEEGB-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)CC[NH+]1C ZINC000974601189 664266595 /nfs/dbraw/zinc/26/65/95/664266595.db2.gz ULGBRPYGZPEEGB-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)CC1 ZINC000974597025 664267660 /nfs/dbraw/zinc/26/76/60/664267660.db2.gz PUDHXNOOPHRRPR-IKGGRYGDSA-N 2 1 353.507 0.552 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001026851567 664270978 /nfs/dbraw/zinc/27/09/78/664270978.db2.gz DIEWKSAGYPCFAM-HZSPNIEDSA-N 2 1 350.467 0.414 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001026851567 664270980 /nfs/dbraw/zinc/27/09/80/664270980.db2.gz DIEWKSAGYPCFAM-HZSPNIEDSA-N 2 1 350.467 0.414 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916779 664277046 /nfs/dbraw/zinc/27/70/46/664277046.db2.gz ODIXRFINONSHMC-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916779 664277047 /nfs/dbraw/zinc/27/70/47/664277047.db2.gz ODIXRFINONSHMC-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976690558 664393994 /nfs/dbraw/zinc/39/39/94/664393994.db2.gz COEZUBOVTBADRL-GVDBMIGSSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000979582823 664460737 /nfs/dbraw/zinc/46/07/37/664460737.db2.gz RBRDUVFBWKDMML-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000979582823 664460739 /nfs/dbraw/zinc/46/07/39/664460739.db2.gz RBRDUVFBWKDMML-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000979582823 664460741 /nfs/dbraw/zinc/46/07/41/664460741.db2.gz RBRDUVFBWKDMML-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000979859749 664464153 /nfs/dbraw/zinc/46/41/53/664464153.db2.gz GPUPHQPUUNZWEV-BQJWPVKWSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000979859749 664464156 /nfs/dbraw/zinc/46/41/56/664464156.db2.gz GPUPHQPUUNZWEV-BQJWPVKWSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000979859749 664464159 /nfs/dbraw/zinc/46/41/59/664464159.db2.gz GPUPHQPUUNZWEV-BQJWPVKWSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001027893322 664472401 /nfs/dbraw/zinc/47/24/01/664472401.db2.gz SGHZRAJCTDKUOG-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCc2ccns2)O1 ZINC001027966293 664479278 /nfs/dbraw/zinc/47/92/78/664479278.db2.gz NHZWBINYKJYKRS-IIAWOOMASA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCc2ccns2)O1 ZINC001027966293 664479281 /nfs/dbraw/zinc/47/92/81/664479281.db2.gz NHZWBINYKJYKRS-IIAWOOMASA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccns2)O1 ZINC001027966293 664479282 /nfs/dbraw/zinc/47/92/82/664479282.db2.gz NHZWBINYKJYKRS-IIAWOOMASA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCc2ccns2)O1 ZINC001027966293 664479283 /nfs/dbraw/zinc/47/92/83/664479283.db2.gz NHZWBINYKJYKRS-IIAWOOMASA-N 2 1 352.504 0.985 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC000981200647 664817620 /nfs/dbraw/zinc/81/76/20/664817620.db2.gz XEPQZLJLWRURPB-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)CC[NH+]1C ZINC000981200647 664817621 /nfs/dbraw/zinc/81/76/21/664817621.db2.gz XEPQZLJLWRURPB-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)CC[NH+]1C ZINC000981200647 664817625 /nfs/dbraw/zinc/81/76/25/664817625.db2.gz XEPQZLJLWRURPB-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC000981200228 664817714 /nfs/dbraw/zinc/81/77/14/664817714.db2.gz OBDKHHLJEXDWLW-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC[N@H+]1C ZINC000981200228 664817717 /nfs/dbraw/zinc/81/77/17/664817717.db2.gz OBDKHHLJEXDWLW-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)CC2)CC[NH+]1C ZINC000981200228 664817721 /nfs/dbraw/zinc/81/77/21/664817721.db2.gz OBDKHHLJEXDWLW-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CC3)CC2)CC[NH+]1C ZINC000981200228 664817724 /nfs/dbraw/zinc/81/77/24/664817724.db2.gz OBDKHHLJEXDWLW-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699247 664860269 /nfs/dbraw/zinc/86/02/69/664860269.db2.gz IQYAXKGPHBLVRL-SJORKVTESA-N 2 1 354.495 0.386 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306121 664866899 /nfs/dbraw/zinc/86/68/99/664866899.db2.gz JEPGGKIYKLNLJD-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306121 664866900 /nfs/dbraw/zinc/86/69/00/664866900.db2.gz JEPGGKIYKLNLJD-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306121 664866901 /nfs/dbraw/zinc/86/69/01/664866901.db2.gz JEPGGKIYKLNLJD-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306121 664866902 /nfs/dbraw/zinc/86/69/02/664866902.db2.gz JEPGGKIYKLNLJD-AFQPOQBFSA-N 2 1 353.507 0.911 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001028551726 664902095 /nfs/dbraw/zinc/90/20/95/664902095.db2.gz WBEPLIPZUMNLLT-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001028551726 664902096 /nfs/dbraw/zinc/90/20/96/664902096.db2.gz WBEPLIPZUMNLLT-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001028551726 664902099 /nfs/dbraw/zinc/90/20/99/664902099.db2.gz WBEPLIPZUMNLLT-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC000983708723 664985270 /nfs/dbraw/zinc/98/52/70/664985270.db2.gz MUOUKIIBHIPXSM-ZHCJQAHYSA-N 2 1 350.507 0.727 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001029312621 665013259 /nfs/dbraw/zinc/01/32/59/665013259.db2.gz JQHFGMSKMSKZEJ-XDNAFOTISA-N 2 1 351.491 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985439714 665167409 /nfs/dbraw/zinc/16/74/09/665167409.db2.gz DUOJLFPHZKCTBP-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@H]3CCN(C)C3=O)CC2)CC[NH+]1C ZINC000985439714 665167410 /nfs/dbraw/zinc/16/74/10/665167410.db2.gz DUOJLFPHZKCTBP-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCN(C)C3=O)CC2)CC[NH+]1C ZINC000985439714 665167411 /nfs/dbraw/zinc/16/74/11/665167411.db2.gz DUOJLFPHZKCTBP-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCOCC3)C2)O1 ZINC001029766797 665171324 /nfs/dbraw/zinc/17/13/24/665171324.db2.gz GUZBFFUWYBLWOR-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCOCC3)C2)O1 ZINC001029766797 665171326 /nfs/dbraw/zinc/17/13/26/665171326.db2.gz GUZBFFUWYBLWOR-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CCOCC3)C2)O1 ZINC001029766797 665171327 /nfs/dbraw/zinc/17/13/27/665171327.db2.gz GUZBFFUWYBLWOR-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCOCC3)C2)O1 ZINC001029766797 665171328 /nfs/dbraw/zinc/17/13/28/665171328.db2.gz GUZBFFUWYBLWOR-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCCS(C)(=O)=O)CC1 ZINC000729157025 665235373 /nfs/dbraw/zinc/23/53/73/665235373.db2.gz WRUHYTADZYDXSH-UHFFFAOYSA-N 2 1 357.505 0.164 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987464020 665255330 /nfs/dbraw/zinc/25/53/30/665255330.db2.gz MBHQTVLBARXDNU-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987463992 665255340 /nfs/dbraw/zinc/25/53/40/665255340.db2.gz LULSCNPGHWXSRH-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000897505764 665296622 /nfs/dbraw/zinc/29/66/22/665296622.db2.gz PSLLMRHOPSOQFO-MRXNPFEDSA-N 2 1 353.511 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000988993855 665333632 /nfs/dbraw/zinc/33/36/32/665333632.db2.gz CXQJJHHZWNLXTQ-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000988993855 665333634 /nfs/dbraw/zinc/33/36/34/665333634.db2.gz CXQJJHHZWNLXTQ-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C[C@]1(O)CCOC1 ZINC000905024977 666003056 /nfs/dbraw/zinc/00/30/56/666003056.db2.gz LGTUEUBLBHHGGL-RTBURBONSA-N 2 1 350.459 0.511 20 0 FCADMP C[NH+]1CCC(NC(=S)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000905556894 666028054 /nfs/dbraw/zinc/02/80/54/666028054.db2.gz ZLJDSCQPZHSSTC-KRWDZBQOSA-N 2 1 369.579 0.341 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000906620190 666059053 /nfs/dbraw/zinc/05/90/53/666059053.db2.gz XWMNZUMGQVYPHB-MRXNPFEDSA-N 2 1 350.463 0.271 20 0 FCADMP COCCN1CC[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000906620190 666059056 /nfs/dbraw/zinc/05/90/56/666059056.db2.gz XWMNZUMGQVYPHB-MRXNPFEDSA-N 2 1 350.463 0.271 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000908002665 666173448 /nfs/dbraw/zinc/17/34/48/666173448.db2.gz TYIRWIKZXWIMQZ-UHFFFAOYSA-N 2 1 353.555 0.545 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000908002665 666173451 /nfs/dbraw/zinc/17/34/51/666173451.db2.gz TYIRWIKZXWIMQZ-UHFFFAOYSA-N 2 1 353.555 0.545 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000908002665 666173456 /nfs/dbraw/zinc/17/34/56/666173456.db2.gz TYIRWIKZXWIMQZ-UHFFFAOYSA-N 2 1 353.555 0.545 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908204021 666194411 /nfs/dbraw/zinc/19/44/11/666194411.db2.gz UDOWBSXPVYABTG-FOIPXRHGSA-N 2 1 351.491 0.545 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908239684 666196693 /nfs/dbraw/zinc/19/66/93/666196693.db2.gz LUVHEDNJQDJMNS-UHFFFAOYSA-N 2 1 354.539 0.877 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000910698621 666268310 /nfs/dbraw/zinc/26/83/10/666268310.db2.gz DJFAUHNJDDHWJF-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000910698621 666268313 /nfs/dbraw/zinc/26/83/13/666268313.db2.gz DJFAUHNJDDHWJF-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000910985402 666301930 /nfs/dbraw/zinc/30/19/30/666301930.db2.gz XNRQVURGOQXGLC-ARFHVFGLSA-N 2 1 350.507 0.953 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000911067613 666309258 /nfs/dbraw/zinc/30/92/58/666309258.db2.gz HLGBFLYZSGVBTF-FVQBIDKESA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000911113691 666315577 /nfs/dbraw/zinc/31/55/77/666315577.db2.gz RXZWXTLGALYHSL-UONOGXRCSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000911113691 666315580 /nfs/dbraw/zinc/31/55/80/666315580.db2.gz RXZWXTLGALYHSL-UONOGXRCSA-N 2 1 364.515 0.808 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000911258940 666330575 /nfs/dbraw/zinc/33/05/75/666330575.db2.gz USFVNUSVIXJYAS-HNNXBMFYSA-N 2 1 350.438 0.571 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000911317496 666337821 /nfs/dbraw/zinc/33/78/21/666337821.db2.gz WCPXBYKUNGZFGO-MWDXBVQZSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000911317496 666337822 /nfs/dbraw/zinc/33/78/22/666337822.db2.gz WCPXBYKUNGZFGO-MWDXBVQZSA-N 2 1 350.507 0.679 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000912030447 666386907 /nfs/dbraw/zinc/38/69/07/666386907.db2.gz WLIVGJVFPNMPGK-QFBILLFUSA-N 2 1 351.491 0.764 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](O)C[C@]3(C)CO)CC2)CC1 ZINC000912658029 666465434 /nfs/dbraw/zinc/46/54/34/666465434.db2.gz NILFYIWEUIMKEO-PKOBYXMFSA-N 2 1 353.507 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938607487 666473575 /nfs/dbraw/zinc/47/35/75/666473575.db2.gz IHJJLTOZZCMQFU-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000913178679 666509874 /nfs/dbraw/zinc/50/98/74/666509874.db2.gz AFSPEMNXQYGRMQ-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000913178679 666509876 /nfs/dbraw/zinc/50/98/76/666509876.db2.gz AFSPEMNXQYGRMQ-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000913178679 666509879 /nfs/dbraw/zinc/50/98/79/666509879.db2.gz AFSPEMNXQYGRMQ-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940288556 666544579 /nfs/dbraw/zinc/54/45/79/666544579.db2.gz UQFJUMUHMDIVGJ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC000940288556 666544582 /nfs/dbraw/zinc/54/45/82/666544582.db2.gz UQFJUMUHMDIVGJ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC000940288556 666544584 /nfs/dbraw/zinc/54/45/84/666544584.db2.gz UQFJUMUHMDIVGJ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC000941216029 666593524 /nfs/dbraw/zinc/59/35/24/666593524.db2.gz CLSPFKWMJVYLID-ZACQAIPSSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)CC[N@H+]1C ZINC000941219945 666594164 /nfs/dbraw/zinc/59/41/64/666594164.db2.gz GBZPCEHNLBHWPL-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC000941219945 666594167 /nfs/dbraw/zinc/59/41/67/666594167.db2.gz GBZPCEHNLBHWPL-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC000941219945 666594171 /nfs/dbraw/zinc/59/41/71/666594171.db2.gz GBZPCEHNLBHWPL-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000992320455 666633328 /nfs/dbraw/zinc/63/33/28/666633328.db2.gz WQYIKLGGJSWXBV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913683526 666641848 /nfs/dbraw/zinc/64/18/48/666641848.db2.gz GXHCXVHWNKYQPJ-OAHLLOKOSA-N 2 1 355.479 0.177 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731490733 666822731 /nfs/dbraw/zinc/82/27/31/666822731.db2.gz RTHCGTBJHUFLRI-MRXNPFEDSA-N 2 1 369.579 0.878 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419482197 674768838 /nfs/dbraw/zinc/76/88/38/674768838.db2.gz PYEBPIZHHJJGSU-QFBILLFUSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419482199 674768849 /nfs/dbraw/zinc/76/88/49/674768849.db2.gz PYEBPIZHHJJGSU-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996606460 666943245 /nfs/dbraw/zinc/94/32/45/666943245.db2.gz IWAZIMCTBDNVPJ-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996608213 666944626 /nfs/dbraw/zinc/94/46/26/666944626.db2.gz RFZHFFCHVLGODV-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC000996605032 666946328 /nfs/dbraw/zinc/94/63/28/666946328.db2.gz YBLWFAVRBQADNA-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916843092 667032951 /nfs/dbraw/zinc/03/29/51/667032951.db2.gz TVHTYJBJCUTVSV-GVDBMIGSSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916843092 667032954 /nfs/dbraw/zinc/03/29/54/667032954.db2.gz TVHTYJBJCUTVSV-GVDBMIGSSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916843092 667032957 /nfs/dbraw/zinc/03/29/57/667032957.db2.gz TVHTYJBJCUTVSV-GVDBMIGSSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916843091 667033075 /nfs/dbraw/zinc/03/30/75/667033075.db2.gz TVHTYJBJCUTVSV-BRWVUGGUSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916843091 667033077 /nfs/dbraw/zinc/03/30/77/667033077.db2.gz TVHTYJBJCUTVSV-BRWVUGGUSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916843091 667033081 /nfs/dbraw/zinc/03/30/81/667033081.db2.gz TVHTYJBJCUTVSV-BRWVUGGUSA-N 2 1 352.479 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC000997794268 667176448 /nfs/dbraw/zinc/17/64/48/667176448.db2.gz YTEXHQDBXDYWGE-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000998983445 667224846 /nfs/dbraw/zinc/22/48/46/667224846.db2.gz LIGHNVLISOKEGP-TWRYWWQQSA-N 2 1 369.897 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000998983445 667224849 /nfs/dbraw/zinc/22/48/49/667224849.db2.gz LIGHNVLISOKEGP-TWRYWWQQSA-N 2 1 369.897 0.835 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000999494970 667242145 /nfs/dbraw/zinc/24/21/45/667242145.db2.gz KGFIVJQUZAGNQK-FVQBIDKESA-N 2 1 369.897 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000999494970 667242149 /nfs/dbraw/zinc/24/21/49/667242149.db2.gz KGFIVJQUZAGNQK-FVQBIDKESA-N 2 1 369.897 0.836 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@@H+]1C ZINC001031681340 667263676 /nfs/dbraw/zinc/26/36/76/667263676.db2.gz NJUJSCJJAFDCST-FVQBIDKESA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@H+]1C ZINC001031681340 667263682 /nfs/dbraw/zinc/26/36/82/667263682.db2.gz NJUJSCJJAFDCST-FVQBIDKESA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001002858887 667571849 /nfs/dbraw/zinc/57/18/49/667571849.db2.gz IKGRYFJAXYNPRN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001002862303 667572945 /nfs/dbraw/zinc/57/29/45/667572945.db2.gz KXUZEPPRVBXIHL-RRQGHBQHSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)O1 ZINC001003132521 667598049 /nfs/dbraw/zinc/59/80/49/667598049.db2.gz DSMMVHLJCRXGCX-BPLDGKMQSA-N 2 1 361.433 0.710 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)O1 ZINC001003132521 667598050 /nfs/dbraw/zinc/59/80/50/667598050.db2.gz DSMMVHLJCRXGCX-BPLDGKMQSA-N 2 1 361.433 0.710 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001033095617 667671288 /nfs/dbraw/zinc/67/12/88/667671288.db2.gz CVMLTQQKELGELQ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001033095617 667671290 /nfs/dbraw/zinc/67/12/90/667671290.db2.gz CVMLTQQKELGELQ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001033095617 667671292 /nfs/dbraw/zinc/67/12/92/667671292.db2.gz CVMLTQQKELGELQ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001033095617 667671294 /nfs/dbraw/zinc/67/12/94/667671294.db2.gz CVMLTQQKELGELQ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001033180754 667712618 /nfs/dbraw/zinc/71/26/18/667712618.db2.gz CBJGOWXEINZEGE-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001033180754 667712622 /nfs/dbraw/zinc/71/26/22/667712622.db2.gz CBJGOWXEINZEGE-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccns3)C2)O1 ZINC001033180754 667712624 /nfs/dbraw/zinc/71/26/24/667712624.db2.gz CBJGOWXEINZEGE-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccns3)C2)O1 ZINC001033180754 667712626 /nfs/dbraw/zinc/71/26/26/667712626.db2.gz CBJGOWXEINZEGE-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001034215067 667749437 /nfs/dbraw/zinc/74/94/37/667749437.db2.gz VPFPVMWRJXTSLO-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034215067 667749438 /nfs/dbraw/zinc/74/94/38/667749438.db2.gz VPFPVMWRJXTSLO-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034215067 667749439 /nfs/dbraw/zinc/74/94/39/667749439.db2.gz VPFPVMWRJXTSLO-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1 ZINC000923312237 667823816 /nfs/dbraw/zinc/82/38/16/667823816.db2.gz IWTBKYSWVUDJET-LAQRGFTBSA-N 2 1 367.515 0.836 20 0 FCADMP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1 ZINC000923312237 667823822 /nfs/dbraw/zinc/82/38/22/667823822.db2.gz IWTBKYSWVUDJET-LAQRGFTBSA-N 2 1 367.515 0.836 20 0 FCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923365638 667827877 /nfs/dbraw/zinc/82/78/77/667827877.db2.gz GQPWCUQPEOVQAB-VXGBXAGGSA-N 2 1 351.216 0.579 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923365638 667827880 /nfs/dbraw/zinc/82/78/80/667827880.db2.gz GQPWCUQPEOVQAB-VXGBXAGGSA-N 2 1 351.216 0.579 20 0 FCADMP CCn1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961991914 674853309 /nfs/dbraw/zinc/85/33/09/674853309.db2.gz VLZRBQDQVUSOIP-XSCHDIRWSA-N 2 1 350.467 0.002 20 0 FCADMP CCn1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961991914 674853310 /nfs/dbraw/zinc/85/33/10/674853310.db2.gz VLZRBQDQVUSOIP-XSCHDIRWSA-N 2 1 350.467 0.002 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=S)NCC3CC[NH+](C)CC3)C2)CC1 ZINC000760484431 667851099 /nfs/dbraw/zinc/85/10/99/667851099.db2.gz JTPHQXAMCPWRDC-MRXNPFEDSA-N 2 1 353.580 0.961 20 0 FCADMP C[NH+]1CCC(CNC(=S)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000760484431 667851102 /nfs/dbraw/zinc/85/11/02/667851102.db2.gz JTPHQXAMCPWRDC-MRXNPFEDSA-N 2 1 353.580 0.961 20 0 FCADMP CC(C)(CNS(=O)(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000923582946 667852271 /nfs/dbraw/zinc/85/22/71/667852271.db2.gz QNYGDHJDRYGFJX-UHFFFAOYSA-N 2 1 352.504 0.563 20 0 FCADMP CC(C)(CNS(=O)(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000923582946 667852276 /nfs/dbraw/zinc/85/22/76/667852276.db2.gz QNYGDHJDRYGFJX-UHFFFAOYSA-N 2 1 352.504 0.563 20 0 FCADMP NC(=O)[C@H]1CSCC[NH+]1CCCCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000767120049 668045743 /nfs/dbraw/zinc/04/57/43/668045743.db2.gz QXKFEQKHHFAXBE-ZIAGYGMSSA-N 2 1 374.576 0.352 20 0 FCADMP NC(=O)[C@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000767120049 668045746 /nfs/dbraw/zinc/04/57/46/668045746.db2.gz QXKFEQKHHFAXBE-ZIAGYGMSSA-N 2 1 374.576 0.352 20 0 FCADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363436 668875366 /nfs/dbraw/zinc/87/53/66/668875366.db2.gz SYQVKHDYLVMMAZ-KDOFPFPSSA-N 2 1 351.447 0.945 20 0 FCADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H](C3OCCO3)C1)C[NH+]1CCC2CC1 ZINC000790363436 668875367 /nfs/dbraw/zinc/87/53/67/668875367.db2.gz SYQVKHDYLVMMAZ-KDOFPFPSSA-N 2 1 351.447 0.945 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000806814058 669447525 /nfs/dbraw/zinc/44/75/25/669447525.db2.gz IHAAQPRPHMBFEG-DOTOQJQBSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000828516706 669648888 /nfs/dbraw/zinc/64/88/88/669648888.db2.gz USPYAZIJHPAONZ-GOSISDBHSA-N 2 1 353.438 0.961 20 0 FCADMP COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000811747078 669767345 /nfs/dbraw/zinc/76/73/45/669767345.db2.gz MLRMRNNXWBRTBO-QGZVFWFLSA-N 2 1 354.451 0.481 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000818341212 670097733 /nfs/dbraw/zinc/09/77/33/670097733.db2.gz WYLDQHVFMNEWSB-OAHLLOKOSA-N 2 1 352.479 0.751 20 0 FCADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000841006675 670531387 /nfs/dbraw/zinc/53/13/87/670531387.db2.gz HKELSDIEKHDMSO-INIZCTEOSA-N 2 1 354.495 0.984 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)C2=O ZINC000842619122 670702940 /nfs/dbraw/zinc/70/29/40/670702940.db2.gz UHMGARYZSMYIOT-CABCVRRESA-N 2 1 350.463 0.851 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000843254358 670787078 /nfs/dbraw/zinc/78/70/78/670787078.db2.gz OKFVLEIHZQFLEN-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000843254358 670787082 /nfs/dbraw/zinc/78/70/82/670787082.db2.gz OKFVLEIHZQFLEN-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000843254358 670787084 /nfs/dbraw/zinc/78/70/84/670787084.db2.gz OKFVLEIHZQFLEN-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000843254358 670787088 /nfs/dbraw/zinc/78/70/88/670787088.db2.gz OKFVLEIHZQFLEN-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364213 670808037 /nfs/dbraw/zinc/80/80/37/670808037.db2.gz RVZWLOHBHGREDG-CYBMUJFWSA-N 2 1 366.487 0.737 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)NC(=O)N[C@@H]1C ZINC000843388677 670811419 /nfs/dbraw/zinc/81/14/19/670811419.db2.gz WEXBEKGZTNNTBP-MCIONIFRSA-N 2 1 350.463 0.826 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844190296 670908885 /nfs/dbraw/zinc/90/88/85/670908885.db2.gz DRVDODADGAFHGW-CVEARBPZSA-N 2 1 366.531 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000968014601 675178166 /nfs/dbraw/zinc/17/81/66/675178166.db2.gz WXYXQDHXQDTPRG-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000968014601 675178168 /nfs/dbraw/zinc/17/81/68/675178168.db2.gz WXYXQDHXQDTPRG-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000968014601 675178170 /nfs/dbraw/zinc/17/81/70/675178170.db2.gz WXYXQDHXQDTPRG-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CN(C(=O)OC)C3)CC2)CC1 ZINC000847593952 671210163 /nfs/dbraw/zinc/21/01/63/671210163.db2.gz HDHBQPOXGZZQMK-UHFFFAOYSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000848715894 671292956 /nfs/dbraw/zinc/29/29/56/671292956.db2.gz QSPCDNJFLKAOAZ-FRRDWIJNSA-N 2 1 364.412 0.715 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000848715894 671292958 /nfs/dbraw/zinc/29/29/58/671292958.db2.gz QSPCDNJFLKAOAZ-FRRDWIJNSA-N 2 1 364.412 0.715 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051253 671316246 /nfs/dbraw/zinc/31/62/46/671316246.db2.gz CSLIROYUTHFPTP-STQMWFEESA-N 2 1 351.417 0.848 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000849113162 671318647 /nfs/dbraw/zinc/31/86/47/671318647.db2.gz KGJPGTCNQISDAG-OAHLLOKOSA-N 2 1 355.483 0.568 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000857334470 671725208 /nfs/dbraw/zinc/72/52/08/671725208.db2.gz AWKJQDXMNRDRPZ-MSOLQXFVSA-N 2 1 353.507 0.837 20 0 FCADMP O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756823 675968439 /nfs/dbraw/zinc/96/84/39/675968439.db2.gz WGXCLQSTQXMMDR-CVEARBPZSA-N 2 1 357.520 0.645 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000861511377 671967128 /nfs/dbraw/zinc/96/71/28/671967128.db2.gz CXYXFDGDTSVHEW-UHFFFAOYSA-N 2 1 367.881 0.838 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000861540102 671970148 /nfs/dbraw/zinc/97/01/48/671970148.db2.gz KUKUPFXJOUFBMM-LBPRGKRZSA-N 2 1 367.881 0.836 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713424 675963055 /nfs/dbraw/zinc/96/30/55/675963055.db2.gz PWVILTDKTBBZPF-SJORKVTESA-N 3 1 350.507 0.289 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713424 675963057 /nfs/dbraw/zinc/96/30/57/675963057.db2.gz PWVILTDKTBBZPF-SJORKVTESA-N 2 1 350.507 0.289 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713424 675963060 /nfs/dbraw/zinc/96/30/60/675963060.db2.gz PWVILTDKTBBZPF-SJORKVTESA-N 2 1 350.507 0.289 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000861742341 671989586 /nfs/dbraw/zinc/98/95/86/671989586.db2.gz GVEMYLTULVMVNG-KGLIPLIRSA-N 2 1 352.504 0.882 20 0 FCADMP CCN(CC)C(=O)CN1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733097 675965106 /nfs/dbraw/zinc/96/51/06/675965106.db2.gz JQLIACUGTIALHE-IEBWSBKVSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740149 675965632 /nfs/dbraw/zinc/96/56/32/675965632.db2.gz DYKPRZSUKBGUQR-AOIWGVFYSA-N 2 1 350.507 0.384 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740158 675965819 /nfs/dbraw/zinc/96/58/19/675965819.db2.gz DYKPRZSUKBGUQR-ZIFCJYIRSA-N 2 1 350.507 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)CC[N@@H+]1C ZINC001053260641 675992760 /nfs/dbraw/zinc/99/27/60/675992760.db2.gz IBZGMWNXQCJTRP-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)CC[N@H+]1C ZINC001053260641 675992761 /nfs/dbraw/zinc/99/27/61/675992761.db2.gz IBZGMWNXQCJTRP-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000923619676 672489530 /nfs/dbraw/zinc/48/95/30/672489530.db2.gz KHBGWNUVMWPBBK-HIFRSBDPSA-N 2 1 358.533 0.871 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055545753 676023224 /nfs/dbraw/zinc/02/32/24/676023224.db2.gz SCLRSMXHRDKKJH-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055545753 676023227 /nfs/dbraw/zinc/02/32/27/676023227.db2.gz SCLRSMXHRDKKJH-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)CSC)CC2)CC[N@H+]1C ZINC001055583247 676025311 /nfs/dbraw/zinc/02/53/11/676025311.db2.gz FUTGWZUHHNTXSH-JKSUJKDBSA-N 2 1 370.563 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056549056 676047245 /nfs/dbraw/zinc/04/72/45/676047245.db2.gz VACYVTXKAMICFI-QBPKDAKJSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001001420748 676071486 /nfs/dbraw/zinc/07/14/86/676071486.db2.gz OSJBDDLFFFPJKY-GDBMZVCRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001418894 676071580 /nfs/dbraw/zinc/07/15/80/676071580.db2.gz PCDPRXIGIYAOIH-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP CON(C)C(=O)[C@H](C)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875896729 672925893 /nfs/dbraw/zinc/92/58/93/672925893.db2.gz QLMIERKDHOQYAR-DZGCQCFKSA-N 2 1 355.483 0.205 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001050523432 676085511 /nfs/dbraw/zinc/08/55/11/676085511.db2.gz DEALZUJYFYBPTA-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001050523432 676085512 /nfs/dbraw/zinc/08/55/12/676085512.db2.gz DEALZUJYFYBPTA-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)s1 ZINC001051624017 676107176 /nfs/dbraw/zinc/10/71/76/676107176.db2.gz LVAZGXIJPCJVLR-MGPQQGTHSA-N 2 1 367.519 0.758 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)s1 ZINC001051624017 676107177 /nfs/dbraw/zinc/10/71/77/676107177.db2.gz LVAZGXIJPCJVLR-MGPQQGTHSA-N 2 1 367.519 0.758 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001051678481 676108487 /nfs/dbraw/zinc/10/84/87/676108487.db2.gz CDYFFWKXBZQFQA-VNHYZAJKSA-N 2 1 354.476 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001051678481 676108490 /nfs/dbraw/zinc/10/84/90/676108490.db2.gz CDYFFWKXBZQFQA-VNHYZAJKSA-N 2 1 354.476 0.179 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000880129468 673174927 /nfs/dbraw/zinc/17/49/27/673174927.db2.gz JOLSJESDQSAUMT-KURKYZTESA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000880129468 673174930 /nfs/dbraw/zinc/17/49/30/673174930.db2.gz JOLSJESDQSAUMT-KURKYZTESA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000880129468 673174935 /nfs/dbraw/zinc/17/49/35/673174935.db2.gz JOLSJESDQSAUMT-KURKYZTESA-N 2 1 352.523 0.628 20 0 FCADMP C[C@@H]([NH3+])c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000881088311 673216236 /nfs/dbraw/zinc/21/62/36/673216236.db2.gz GWULSURTBVLVOZ-CQSZACIVSA-N 2 1 350.467 0.449 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883401282 673373433 /nfs/dbraw/zinc/37/34/33/673373433.db2.gz IXLOQSMNFMJHNJ-INIZCTEOSA-N 2 1 356.536 0.978 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CCC23CCC3)C1 ZINC000883458822 673376910 /nfs/dbraw/zinc/37/69/10/673376910.db2.gz YCYLZPNZQPUKDI-KRWDZBQOSA-N 2 1 352.523 0.677 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883710667 673392332 /nfs/dbraw/zinc/39/23/32/673392332.db2.gz QNJIKVQZCGFERP-KRWDZBQOSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900751 673402133 /nfs/dbraw/zinc/40/21/33/673402133.db2.gz QBCCCZZTRXNYKY-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883900751 673402136 /nfs/dbraw/zinc/40/21/36/673402136.db2.gz QBCCCZZTRXNYKY-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883900751 673402137 /nfs/dbraw/zinc/40/21/37/673402137.db2.gz QBCCCZZTRXNYKY-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883899934 673402201 /nfs/dbraw/zinc/40/22/01/673402201.db2.gz AQSRONITCBXVKK-OAHLLOKOSA-N 2 1 351.495 0.596 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])CC3CC3)CC2)CC1 ZINC000884213917 673438530 /nfs/dbraw/zinc/43/85/30/673438530.db2.gz PBCFMPXRPRADLY-KRWDZBQOSA-N 2 1 350.507 0.907 20 0 FCADMP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413255 673452091 /nfs/dbraw/zinc/45/20/91/673452091.db2.gz NPHHVVWIRZLMSU-HUUCEWRRSA-N 2 1 367.291 0.955 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884493796 673457250 /nfs/dbraw/zinc/45/72/50/673457250.db2.gz CJOBGTIGOYNNHC-ZACQAIPSSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555439 673461919 /nfs/dbraw/zinc/46/19/19/673461919.db2.gz RKFPPFUHDQTMIM-JQWIXIFHSA-N 2 1 363.487 0.085 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884616927 673466387 /nfs/dbraw/zinc/46/63/87/673466387.db2.gz FENKXIMUXJPGQV-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643116 673469305 /nfs/dbraw/zinc/46/93/05/673469305.db2.gz XOFLUVRQKSAIRP-RDTXWAMCSA-N 2 1 354.495 0.047 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884909313 673490495 /nfs/dbraw/zinc/49/04/95/673490495.db2.gz XKEVKRASBUJWOC-SHTZXODSSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000885007864 673497304 /nfs/dbraw/zinc/49/73/04/673497304.db2.gz LVFPYDIBXQSBST-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000885008925 673497719 /nfs/dbraw/zinc/49/77/19/673497719.db2.gz UIFDKKUBVRKNHR-ZOFXXKQRSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000886430457 673584151 /nfs/dbraw/zinc/58/41/51/673584151.db2.gz NIPSPZBQPPHULL-CRAIPNDOSA-N 2 1 357.495 0.795 20 0 FCADMP CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[C@H]1CC[NH2+]C1 ZINC000887068687 673618488 /nfs/dbraw/zinc/61/84/88/673618488.db2.gz QAFPPVDYVKRMOJ-HNNXBMFYSA-N 2 1 350.463 0.770 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887079160 673620449 /nfs/dbraw/zinc/62/04/49/673620449.db2.gz LJUXPEDUSLNHSJ-LPHOPBHVSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC000887423482 673630366 /nfs/dbraw/zinc/63/03/66/673630366.db2.gz YLXWOLLBCOGASO-UHFFFAOYSA-N 2 1 352.527 0.455 20 0 FCADMP CC(C)CN(CCn1cc(CC2(O)CC[NH2+]CC2)nn1)CC[NH+](C)C ZINC000887423482 673630379 /nfs/dbraw/zinc/63/03/79/673630379.db2.gz YLXWOLLBCOGASO-UHFFFAOYSA-N 2 1 352.527 0.455 20 0 FCADMP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000925444020 673792504 /nfs/dbraw/zinc/79/25/04/673792504.db2.gz AYMFCLGLOLATQL-HOTGVXAUSA-N 2 1 350.463 0.646 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000925555998 673793845 /nfs/dbraw/zinc/79/38/45/673793845.db2.gz JGWIDXMDJKVVBX-GVDBMIGSSA-N 2 1 351.491 0.639 20 0 FCADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)[C@H]1C(C)C ZINC000926249048 673817825 /nfs/dbraw/zinc/81/78/25/673817825.db2.gz CHZULVXNYKXZMH-ILYVXUQDSA-N 2 1 353.507 0.693 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)[C@H]1C(C)C ZINC000926249048 673817828 /nfs/dbraw/zinc/81/78/28/673817828.db2.gz CHZULVXNYKXZMH-ILYVXUQDSA-N 2 1 353.507 0.693 20 0 FCADMP CC[NH+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)[C@H]1C(C)C ZINC000926249048 673817831 /nfs/dbraw/zinc/81/78/31/673817831.db2.gz CHZULVXNYKXZMH-ILYVXUQDSA-N 2 1 353.507 0.693 20 0 FCADMP CC[NH+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)[C@H]1C(C)C ZINC000926249048 673817835 /nfs/dbraw/zinc/81/78/35/673817835.db2.gz CHZULVXNYKXZMH-ILYVXUQDSA-N 2 1 353.507 0.693 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCO[C@H]1CCOC1 ZINC000927520322 673865202 /nfs/dbraw/zinc/86/52/02/673865202.db2.gz WNWXQPFHEDLJFT-IRXDYDNUSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927633462 673871380 /nfs/dbraw/zinc/87/13/80/673871380.db2.gz BVLJUQMZQLMUJW-DJIMGWMZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927633462 673871383 /nfs/dbraw/zinc/87/13/83/673871383.db2.gz BVLJUQMZQLMUJW-DJIMGWMZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927633462 673871386 /nfs/dbraw/zinc/87/13/86/673871386.db2.gz BVLJUQMZQLMUJW-DJIMGWMZSA-N 2 1 354.495 0.336 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001007370007 675288203 /nfs/dbraw/zinc/28/82/03/675288203.db2.gz VPJGBSLZZYLGFF-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001011211181 675377430 /nfs/dbraw/zinc/37/74/30/675377430.db2.gz DNPTZUTUUOORDG-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001016632038 675403152 /nfs/dbraw/zinc/40/31/52/675403152.db2.gz KGWWLSIXQBFFGP-RBSFLKMASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001016632038 675403153 /nfs/dbraw/zinc/40/31/53/675403153.db2.gz KGWWLSIXQBFFGP-RBSFLKMASA-N 2 1 357.520 0.342 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020174741 675436578 /nfs/dbraw/zinc/43/65/78/675436578.db2.gz OVQINIXRLQCCAX-DGXTUMSLSA-N 2 1 357.520 0.388 20 0 FCADMP COCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136720 675447652 /nfs/dbraw/zinc/44/76/52/675447652.db2.gz OECUANHCZVXURA-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136720 675447654 /nfs/dbraw/zinc/44/76/54/675447654.db2.gz OECUANHCZVXURA-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136720 675447656 /nfs/dbraw/zinc/44/76/56/675447656.db2.gz OECUANHCZVXURA-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136720 675447658 /nfs/dbraw/zinc/44/76/58/675447658.db2.gz OECUANHCZVXURA-KBAYOESNSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001040210172 675460008 /nfs/dbraw/zinc/46/00/08/675460008.db2.gz PEVRLXUWCODLLS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001040210172 675460010 /nfs/dbraw/zinc/46/00/10/675460010.db2.gz PEVRLXUWCODLLS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001040210172 675460012 /nfs/dbraw/zinc/46/00/12/675460012.db2.gz PEVRLXUWCODLLS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001040210172 675460013 /nfs/dbraw/zinc/46/00/13/675460013.db2.gz PEVRLXUWCODLLS-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP COCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672006 675656703 /nfs/dbraw/zinc/65/67/03/675656703.db2.gz KPUVMXAEXQZYBR-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900014635 675659228 /nfs/dbraw/zinc/65/92/28/675659228.db2.gz MZKMSWRPARUWQI-GOSISDBHSA-N 2 1 354.539 0.876 20 0 FCADMP CC(C)[C@H](CNC(=O)CCN1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000900060724 675661297 /nfs/dbraw/zinc/66/12/97/675661297.db2.gz LEMJVPITWJEADN-SFHVURJKSA-N 2 1 354.539 0.876 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000900438759 675681534 /nfs/dbraw/zinc/68/15/34/675681534.db2.gz DFSJBIDRGDPAIC-BZUAXINKSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000900438759 675681537 /nfs/dbraw/zinc/68/15/37/675681537.db2.gz DFSJBIDRGDPAIC-BZUAXINKSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000900438759 675681540 /nfs/dbraw/zinc/68/15/40/675681540.db2.gz DFSJBIDRGDPAIC-BZUAXINKSA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000900438759 675681543 /nfs/dbraw/zinc/68/15/43/675681543.db2.gz DFSJBIDRGDPAIC-BZUAXINKSA-N 2 1 353.463 0.241 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CCO2)CC1 ZINC000900596262 675697891 /nfs/dbraw/zinc/69/78/91/675697891.db2.gz ACHOWJFMEYSGJZ-KZNAEPCWSA-N 2 1 350.507 0.478 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000900754520 675714039 /nfs/dbraw/zinc/71/40/39/675714039.db2.gz KJNRDGXPAMEMRX-HNNXBMFYSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000900754520 675714041 /nfs/dbraw/zinc/71/40/41/675714041.db2.gz KJNRDGXPAMEMRX-HNNXBMFYSA-N 2 1 355.479 0.225 20 0 FCADMP C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900802437 675717579 /nfs/dbraw/zinc/71/75/79/675717579.db2.gz FJEWKEJCHMBRQU-FCCDEINASA-N 2 1 352.523 0.628 20 0 FCADMP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900805744 675718414 /nfs/dbraw/zinc/71/84/14/675718414.db2.gz QERVLAMKDXAPRT-IAGOWNOFSA-N 2 1 352.523 0.772 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000900944099 675733877 /nfs/dbraw/zinc/73/38/77/675733877.db2.gz HITDFFAMTFUVES-WMLDXEAASA-N 2 1 357.520 0.815 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000900944099 675733879 /nfs/dbraw/zinc/73/38/79/675733879.db2.gz HITDFFAMTFUVES-WMLDXEAASA-N 2 1 357.520 0.815 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000801517075 675789471 /nfs/dbraw/zinc/78/94/71/675789471.db2.gz KMJPXOBRWYAZGG-LBPRGKRZSA-N 2 1 350.385 0.246 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000801517075 675789472 /nfs/dbraw/zinc/78/94/72/675789472.db2.gz KMJPXOBRWYAZGG-LBPRGKRZSA-N 2 1 350.385 0.246 20 0 FCADMP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384227 675795356 /nfs/dbraw/zinc/79/53/56/675795356.db2.gz NMJMSBRUGQWROC-OWSLCNJRSA-N 2 1 353.507 0.645 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528339 675859546 /nfs/dbraw/zinc/85/95/46/675859546.db2.gz UZLGWUQVBFQLAE-DBHDPKECSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048528339 675859549 /nfs/dbraw/zinc/85/95/49/675859549.db2.gz UZLGWUQVBFQLAE-DBHDPKECSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528339 675859552 /nfs/dbraw/zinc/85/95/52/675859552.db2.gz UZLGWUQVBFQLAE-DBHDPKECSA-N 2 1 350.507 0.950 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897484892 1192185441 /nfs/dbraw/zinc/18/54/41/1192185441.db2.gz YAIRXIFHFJAAIO-RYRKJORJSA-N 2 1 371.485 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C3)CC[NH+]1C ZINC000969123833 1167733451 /nfs/dbraw/zinc/73/34/51/1167733451.db2.gz ZDPQKHAXHSHXAK-IGKNDFSCSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)C[NH+]2CC[C@H](C)C2)C3)CC[N@@H+]1C ZINC000969123833 1167733464 /nfs/dbraw/zinc/73/34/64/1167733464.db2.gz ZDPQKHAXHSHXAK-IGKNDFSCSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)C[NH+]2CC[C@H](C)C2)C3)CC[N@H+]1C ZINC000969123833 1167733477 /nfs/dbraw/zinc/73/34/77/1167733477.db2.gz ZDPQKHAXHSHXAK-IGKNDFSCSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cncn2C)CC[N@H+]1C ZINC000969427859 1167951119 /nfs/dbraw/zinc/95/11/19/1167951119.db2.gz HMSQZHSNSAOTDE-PNBKFKSVSA-N 2 1 359.474 0.505 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000969705708 1168067971 /nfs/dbraw/zinc/06/79/71/1168067971.db2.gz ATYFMPKARCKDED-VNQPRFMTSA-N 2 1 364.490 0.302 20 0 FCADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001020613431 1168160600 /nfs/dbraw/zinc/16/06/00/1168160600.db2.gz ZMAOJYXLFMGJKA-IEWDOMPSSA-N 2 1 370.497 0.799 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192900 1168174806 /nfs/dbraw/zinc/17/48/06/1168174806.db2.gz UHOUPOADKGIMFU-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192900 1168174810 /nfs/dbraw/zinc/17/48/10/1168174810.db2.gz UHOUPOADKGIMFU-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192900 1168174812 /nfs/dbraw/zinc/17/48/12/1168174812.db2.gz UHOUPOADKGIMFU-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192900 1168174817 /nfs/dbraw/zinc/17/48/17/1168174817.db2.gz UHOUPOADKGIMFU-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP CCn1cc(CC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969957383 1168238530 /nfs/dbraw/zinc/23/85/30/1168238530.db2.gz FOTYBNZVOOTXFN-RVKKMQEKSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969957383 1168238539 /nfs/dbraw/zinc/23/85/39/1168238539.db2.gz FOTYBNZVOOTXFN-RVKKMQEKSA-N 2 1 363.506 0.601 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC000970042845 1168302889 /nfs/dbraw/zinc/30/28/89/1168302889.db2.gz NRMRSMPGASFJOX-QRQLOZEOSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC000970042845 1168302894 /nfs/dbraw/zinc/30/28/94/1168302894.db2.gz NRMRSMPGASFJOX-QRQLOZEOSA-N 2 1 368.485 0.851 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@@H]21)[NH+](C)C ZINC001083195809 1168370088 /nfs/dbraw/zinc/37/00/88/1168370088.db2.gz PCNNJMSWUCMSFC-HRCADAONSA-N 2 1 365.478 0.562 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]21)[NH+](C)C ZINC001083195809 1168370093 /nfs/dbraw/zinc/37/00/93/1168370093.db2.gz PCNNJMSWUCMSFC-HRCADAONSA-N 2 1 365.478 0.562 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000970638973 1169227509 /nfs/dbraw/zinc/22/75/09/1169227509.db2.gz WDAOLTOSMXBKJC-XHSDSOJGSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000970635173 1169232063 /nfs/dbraw/zinc/23/20/63/1169232063.db2.gz CGJRKRXSEUBFOE-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCN(c2ncc(N(Cc3ccccc3)C3(C[NH3+])COC3)cn2)CC1 ZINC001167370958 1169748301 /nfs/dbraw/zinc/74/83/01/1169748301.db2.gz HCNWAGPCNVACJG-UHFFFAOYSA-N 2 1 368.485 0.963 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)C1 ZINC001021703001 1169897761 /nfs/dbraw/zinc/89/77/61/1169897761.db2.gz VMLPHADRWJHSGL-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891339457 1169962696 /nfs/dbraw/zinc/96/26/96/1169962696.db2.gz BBTVVSSIHBMAOV-QGZVFWFLSA-N 2 1 367.538 0.470 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356188 1170005827 /nfs/dbraw/zinc/00/58/27/1170005827.db2.gz RLYKNFWJUDRQFA-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394496 1170070207 /nfs/dbraw/zinc/07/02/07/1170070207.db2.gz YNKMBIDRVSLRSA-BDXSIMOUSA-N 2 1 357.414 0.872 20 0 FCADMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394496 1170070215 /nfs/dbraw/zinc/07/02/15/1170070215.db2.gz YNKMBIDRVSLRSA-BDXSIMOUSA-N 2 1 357.414 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104346635 1170130105 /nfs/dbraw/zinc/13/01/05/1170130105.db2.gz GDDQXPPWYYYBGX-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104346635 1170130111 /nfs/dbraw/zinc/13/01/11/1170130111.db2.gz GDDQXPPWYYYBGX-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104346623 1170130298 /nfs/dbraw/zinc/13/02/98/1170130298.db2.gz FSPQWDDSOXVMNR-KLHDSHLOSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104346623 1170130314 /nfs/dbraw/zinc/13/03/14/1170130314.db2.gz FSPQWDDSOXVMNR-KLHDSHLOSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCn1cccn1 ZINC001104347136 1170131930 /nfs/dbraw/zinc/13/19/30/1170131930.db2.gz QRGLISFBWBQLGO-BRSBDYLESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCn1cccn1 ZINC001104347136 1170131939 /nfs/dbraw/zinc/13/19/39/1170131939.db2.gz QRGLISFBWBQLGO-BRSBDYLESA-N 2 1 363.506 0.676 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000971571927 1170553708 /nfs/dbraw/zinc/55/37/08/1170553708.db2.gz XEWNYXTZGBFOBU-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(CCc1cnc[nH]1)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217289 1170765218 /nfs/dbraw/zinc/76/52/18/1170765218.db2.gz JCRBQHJGERNRRK-GOEBONIOSA-N 2 1 357.458 0.497 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@H+]1C1CC1 ZINC000891662499 1170801612 /nfs/dbraw/zinc/80/16/12/1170801612.db2.gz YCNWPNVGMDQGGF-DEDQRHPVSA-N 2 1 363.462 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001087167798 1170808630 /nfs/dbraw/zinc/80/86/30/1170808630.db2.gz BRCJSOINRMGFFS-APIJFGDWSA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)O1 ZINC001022277283 1170824642 /nfs/dbraw/zinc/82/46/42/1170824642.db2.gz ZIFXYPKXYFFOHP-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)O1 ZINC001022277283 1170824645 /nfs/dbraw/zinc/82/46/45/1170824645.db2.gz ZIFXYPKXYFFOHP-DMRKSPOLSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000891714380 1170833154 /nfs/dbraw/zinc/83/31/54/1170833154.db2.gz OSMNUQNOQCTSDL-MRXNPFEDSA-N 2 1 360.506 0.974 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001691146909 1170841321 /nfs/dbraw/zinc/84/13/21/1170841321.db2.gz FZPRGUGPJBLWPF-MUIFIZLQSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855621 1170983750 /nfs/dbraw/zinc/98/37/50/1170983750.db2.gz LGHUULIYFFKPRN-IAGOWNOFSA-N 2 1 368.522 0.945 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001691271225 1171005127 /nfs/dbraw/zinc/00/51/27/1171005127.db2.gz AQZJRQDXCNEOFM-LSDHHAIUSA-N 2 1 362.478 0.630 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)O1 ZINC001075434299 1171034016 /nfs/dbraw/zinc/03/40/16/1171034016.db2.gz NQSQAMUICJPZHY-BPQIPLTHSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)O1 ZINC001075434299 1171034027 /nfs/dbraw/zinc/03/40/27/1171034027.db2.gz NQSQAMUICJPZHY-BPQIPLTHSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440306 1171035715 /nfs/dbraw/zinc/03/57/15/1171035715.db2.gz KEYVGTDBZUAWGA-WIYYLYMNSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440306 1171035725 /nfs/dbraw/zinc/03/57/25/1171035725.db2.gz KEYVGTDBZUAWGA-WIYYLYMNSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440306 1171035735 /nfs/dbraw/zinc/03/57/35/1171035735.db2.gz KEYVGTDBZUAWGA-WIYYLYMNSA-N 2 1 374.529 0.766 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCn3ccnc3)C[C@H]21 ZINC001022426776 1171055789 /nfs/dbraw/zinc/05/57/89/1171055789.db2.gz NKZJEPPRPXBDHR-YESZJQIVSA-N 2 1 359.474 0.817 20 0 FCADMP CN1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCn3ccnc3)C[C@H]21 ZINC001022426776 1171055797 /nfs/dbraw/zinc/05/57/97/1171055797.db2.gz NKZJEPPRPXBDHR-YESZJQIVSA-N 2 1 359.474 0.817 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001691347367 1171164843 /nfs/dbraw/zinc/16/48/43/1171164843.db2.gz IDXVASDXADNJSJ-ILXRZTDVSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCOCCO)CC[N@H+]1C ZINC001691356067 1171193489 /nfs/dbraw/zinc/19/34/89/1171193489.db2.gz GPAJOAIQDBVLQM-VSZNYVQBSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953765 1171219548 /nfs/dbraw/zinc/21/95/48/1171219548.db2.gz AURVWUIRFSTVGG-JONQDZQNSA-N 2 1 365.478 0.295 20 0 FCADMP COCCC1(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC[NH2+]CC1 ZINC000892132302 1171621612 /nfs/dbraw/zinc/62/16/12/1171621612.db2.gz FALLWXVOIKJMLI-UHFFFAOYSA-N 2 1 367.538 0.661 20 0 FCADMP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892163309 1171666989 /nfs/dbraw/zinc/66/69/89/1171666989.db2.gz NAVLVUCPZBBNSM-MSOLQXFVSA-N 2 1 367.538 0.614 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892180332 1171692066 /nfs/dbraw/zinc/69/20/66/1171692066.db2.gz MRHDXQNWBUGASC-MSOLQXFVSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000892180332 1171692070 /nfs/dbraw/zinc/69/20/70/1171692070.db2.gz MRHDXQNWBUGASC-MSOLQXFVSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022719751 1171811245 /nfs/dbraw/zinc/81/12/45/1171811245.db2.gz BHOZCYMLENRYMP-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892266560 1171874017 /nfs/dbraw/zinc/87/40/17/1171874017.db2.gz KDTBGGDECDQQAW-IAGOWNOFSA-N 2 1 365.522 0.224 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000972255708 1171891074 /nfs/dbraw/zinc/89/10/74/1171891074.db2.gz ZKLFQZOASVWUDV-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000972255708 1171891076 /nfs/dbraw/zinc/89/10/76/1171891076.db2.gz ZKLFQZOASVWUDV-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249506 1172023316 /nfs/dbraw/zinc/02/33/16/1172023316.db2.gz IHDCWRWXRFNCGV-RBUKOAKNSA-N 2 1 371.481 0.686 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249506 1172023321 /nfs/dbraw/zinc/02/33/21/1172023321.db2.gz IHDCWRWXRFNCGV-RBUKOAKNSA-N 2 1 371.481 0.686 20 0 FCADMP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087222862 1172059457 /nfs/dbraw/zinc/05/94/57/1172059457.db2.gz XEKIBXACRULYSH-ZBFHGGJFSA-N 2 1 363.510 0.659 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211557236 1172067659 /nfs/dbraw/zinc/06/76/59/1172067659.db2.gz INDLWBQOTHSFDW-KSZLIROESA-N 2 1 358.486 0.801 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCn2cccn2)CCO3)CC[N@@H+]1C ZINC000972389689 1172073089 /nfs/dbraw/zinc/07/30/89/1172073089.db2.gz UMSZMEXALYGHDE-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)C[NH+](CCn2cccn2)CCO3)CC[N@H+]1C ZINC000972389689 1172073099 /nfs/dbraw/zinc/07/30/99/1172073099.db2.gz UMSZMEXALYGHDE-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCn2cccn2)CCO3)CC[NH+]1C ZINC000972389689 1172073108 /nfs/dbraw/zinc/07/31/08/1172073108.db2.gz UMSZMEXALYGHDE-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCn2cccn2)CCO3)CC[NH+]1C ZINC000972389689 1172073119 /nfs/dbraw/zinc/07/31/19/1172073119.db2.gz UMSZMEXALYGHDE-LMMKCTJWSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000989050347 1192646870 /nfs/dbraw/zinc/64/68/70/1192646870.db2.gz WFHFXJDLLJVSHH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989050347 1192646873 /nfs/dbraw/zinc/64/68/73/1192646873.db2.gz WFHFXJDLLJVSHH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989050347 1192646880 /nfs/dbraw/zinc/64/68/80/1192646880.db2.gz WFHFXJDLLJVSHH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000989061737 1192667223 /nfs/dbraw/zinc/66/72/23/1192667223.db2.gz PVFLRSRDBOQPCC-OWCLPIDISA-N 2 1 371.485 0.962 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(C)C ZINC000897669095 1192840465 /nfs/dbraw/zinc/84/04/65/1192840465.db2.gz NZSWIYAJKYOVPC-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(C)C ZINC000897669095 1192840466 /nfs/dbraw/zinc/84/04/66/1192840466.db2.gz NZSWIYAJKYOVPC-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000898040992 1192855738 /nfs/dbraw/zinc/85/57/38/1192855738.db2.gz QJSNOCIAZKCNDC-UHFFFAOYSA-N 2 1 360.502 0.960 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000898040992 1192855741 /nfs/dbraw/zinc/85/57/41/1192855741.db2.gz QJSNOCIAZKCNDC-UHFFFAOYSA-N 2 1 360.502 0.960 20 0 FCADMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000842035263 1192861372 /nfs/dbraw/zinc/86/13/72/1192861372.db2.gz JVXPUMXEELRGLD-QWHCGFSZSA-N 2 1 356.430 0.401 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000842036383 1192861602 /nfs/dbraw/zinc/86/16/02/1192861602.db2.gz XSICMTXPYKWNPK-BBRMVZONSA-N 2 1 370.457 0.778 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000898165349 1192861824 /nfs/dbraw/zinc/86/18/24/1192861824.db2.gz GOISQTDTKVWHOS-MLHJIOFPSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1=O ZINC000898165349 1192861825 /nfs/dbraw/zinc/86/18/25/1192861825.db2.gz GOISQTDTKVWHOS-MLHJIOFPSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1=O ZINC000898165349 1192861827 /nfs/dbraw/zinc/86/18/27/1192861827.db2.gz GOISQTDTKVWHOS-MLHJIOFPSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CCOCCO)CC[C@@H]2C1 ZINC001691558136 1192875676 /nfs/dbraw/zinc/87/56/76/1192875676.db2.gz RLEVWHVAHBUBLK-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001691558136 1192875677 /nfs/dbraw/zinc/87/56/77/1192875677.db2.gz RLEVWHVAHBUBLK-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001691558136 1192875678 /nfs/dbraw/zinc/87/56/78/1192875678.db2.gz RLEVWHVAHBUBLK-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001691579065 1192891869 /nfs/dbraw/zinc/89/18/69/1192891869.db2.gz XUACRBQEOSXZQH-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001691579065 1192891870 /nfs/dbraw/zinc/89/18/70/1192891870.db2.gz XUACRBQEOSXZQH-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001691579065 1192891871 /nfs/dbraw/zinc/89/18/71/1192891871.db2.gz XUACRBQEOSXZQH-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516704 1179731963 /nfs/dbraw/zinc/73/19/63/1179731963.db2.gz XAQGACCKYIXUPW-CBNQQXHVSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001023706037 1180130750 /nfs/dbraw/zinc/13/07/50/1180130750.db2.gz HJDVTJQUWNMUDK-BRWVUGGUSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001023706037 1180130769 /nfs/dbraw/zinc/13/07/69/1180130769.db2.gz HJDVTJQUWNMUDK-BRWVUGGUSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001023706037 1180130775 /nfs/dbraw/zinc/13/07/75/1180130775.db2.gz HJDVTJQUWNMUDK-BRWVUGGUSA-N 2 1 366.506 0.031 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972649348 1180187284 /nfs/dbraw/zinc/18/72/84/1180187284.db2.gz OIAGZCPGHVEGRI-NUJGCVRESA-N 2 1 359.474 0.591 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023993807 1180730214 /nfs/dbraw/zinc/73/02/14/1180730214.db2.gz QIHODQAGWGLODR-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024037824 1180805378 /nfs/dbraw/zinc/80/53/78/1180805378.db2.gz BVLADULMTNINSD-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024037824 1180805380 /nfs/dbraw/zinc/80/53/80/1180805380.db2.gz BVLADULMTNINSD-JFIYKMOQSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024038818 1180805650 /nfs/dbraw/zinc/80/56/50/1180805650.db2.gz LCYDLTROVQUGAT-JFIYKMOQSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024038818 1180805651 /nfs/dbraw/zinc/80/56/51/1180805651.db2.gz LCYDLTROVQUGAT-JFIYKMOQSA-N 2 1 363.506 0.950 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21)[NH+](C)C ZINC000972860240 1180896623 /nfs/dbraw/zinc/89/66/23/1180896623.db2.gz VVEWWUCYSSXKIZ-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001024446989 1181180238 /nfs/dbraw/zinc/18/02/38/1181180238.db2.gz NNMQLUMQNPWINE-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001024446989 1181180245 /nfs/dbraw/zinc/18/02/45/1181180245.db2.gz NNMQLUMQNPWINE-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001024446989 1181180251 /nfs/dbraw/zinc/18/02/51/1181180251.db2.gz NNMQLUMQNPWINE-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211635403 1181381206 /nfs/dbraw/zinc/38/12/06/1181381206.db2.gz XSEICTJEDLEGLD-BPQIPLTHSA-N 2 1 369.469 0.910 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947250205 1181661189 /nfs/dbraw/zinc/66/11/89/1181661189.db2.gz RJHZMQMIDPKKQM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250205 1181661197 /nfs/dbraw/zinc/66/11/97/1181661197.db2.gz RJHZMQMIDPKKQM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250205 1181661204 /nfs/dbraw/zinc/66/12/04/1181661204.db2.gz RJHZMQMIDPKKQM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000947250205 1181661208 /nfs/dbraw/zinc/66/12/08/1181661208.db2.gz RJHZMQMIDPKKQM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947250205 1181661216 /nfs/dbraw/zinc/66/12/16/1181661216.db2.gz RJHZMQMIDPKKQM-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892685593 1182277249 /nfs/dbraw/zinc/27/72/49/1182277249.db2.gz ALTUVSSKWARCSB-ZWKOTPCHSA-N 2 1 368.522 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765096 1182484898 /nfs/dbraw/zinc/48/48/98/1182484898.db2.gz AGEBLXXFBVJTDT-HZPDHXFCSA-N 2 1 368.522 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001025795042 1182847204 /nfs/dbraw/zinc/84/72/04/1182847204.db2.gz LUMASRFHASJGHW-SQZHQNNWSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001025795042 1182847206 /nfs/dbraw/zinc/84/72/06/1182847206.db2.gz LUMASRFHASJGHW-SQZHQNNWSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001025795042 1182847207 /nfs/dbraw/zinc/84/72/07/1182847207.db2.gz LUMASRFHASJGHW-SQZHQNNWSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231969 1182929295 /nfs/dbraw/zinc/92/92/95/1182929295.db2.gz STSCGTKTWNZEJP-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104908804 1182991004 /nfs/dbraw/zinc/99/10/04/1182991004.db2.gz LLOVFDXULPBEFZ-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104909044 1182992298 /nfs/dbraw/zinc/99/22/98/1182992298.db2.gz UUQJHBRQOGEQNM-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104939565 1183012156 /nfs/dbraw/zinc/01/21/56/1183012156.db2.gz XASPFHUBGKHIFP-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)C1 ZINC001105040788 1183089830 /nfs/dbraw/zinc/08/98/30/1183089830.db2.gz QCKBEKLYNDBDSM-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)C1 ZINC001105040788 1183089837 /nfs/dbraw/zinc/08/98/37/1183089837.db2.gz QCKBEKLYNDBDSM-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCN3CCCC3=O)CC2)O1 ZINC001026514853 1183146010 /nfs/dbraw/zinc/14/60/10/1183146010.db2.gz UGLSECWDUAVQGW-RDHHWEPZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCN3CCCC3=O)CC2)O1 ZINC001026514853 1183146012 /nfs/dbraw/zinc/14/60/12/1183146012.db2.gz UGLSECWDUAVQGW-RDHHWEPZSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974468936 1183227236 /nfs/dbraw/zinc/22/72/36/1183227236.db2.gz OZQZSTDUJQTJSI-DJIMGWMZSA-N 2 1 359.474 0.804 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C)[C@@H]2C1 ZINC000974468936 1183227241 /nfs/dbraw/zinc/22/72/41/1183227241.db2.gz OZQZSTDUJQTJSI-DJIMGWMZSA-N 2 1 359.474 0.804 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000974539995 1183321511 /nfs/dbraw/zinc/32/15/11/1183321511.db2.gz AKIAUIYZPDSOBQ-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000974539995 1183321521 /nfs/dbraw/zinc/32/15/21/1183321521.db2.gz AKIAUIYZPDSOBQ-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974547005 1183322980 /nfs/dbraw/zinc/32/29/80/1183322980.db2.gz AORSGNACAGHKSX-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974547005 1183322986 /nfs/dbraw/zinc/32/29/86/1183322986.db2.gz AORSGNACAGHKSX-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974589207 1183355834 /nfs/dbraw/zinc/35/58/34/1183355834.db2.gz DONXPXFESOPZGE-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001026852171 1183413104 /nfs/dbraw/zinc/41/31/04/1183413104.db2.gz LRHADRDPHNXBPZ-OWCLPIDISA-N 2 1 360.506 0.893 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001026855734 1183424926 /nfs/dbraw/zinc/42/49/26/1183424926.db2.gz MMKSYRLBEVIPPI-CWRNSKLLSA-N 2 1 361.494 0.676 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916386 1183490491 /nfs/dbraw/zinc/49/04/91/1183490491.db2.gz HBDJNKADMAFMGM-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916386 1183490492 /nfs/dbraw/zinc/49/04/92/1183490492.db2.gz HBDJNKADMAFMGM-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975717983 1185634041 /nfs/dbraw/zinc/63/40/41/1185634041.db2.gz BEVQMZIJDLRIAE-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975717983 1185634045 /nfs/dbraw/zinc/63/40/45/1185634045.db2.gz BEVQMZIJDLRIAE-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975717983 1185634061 /nfs/dbraw/zinc/63/40/61/1185634061.db2.gz BEVQMZIJDLRIAE-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cn1cncc1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975718028 1185634955 /nfs/dbraw/zinc/63/49/55/1185634955.db2.gz BKRPQCVYTCAZME-UXLLHSPISA-N 2 1 359.474 0.364 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000978753641 1186001014 /nfs/dbraw/zinc/00/10/14/1186001014.db2.gz GCKCVNNWWBWYDB-DZVNLGKHSA-N 2 1 356.470 0.111 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000978753641 1186001021 /nfs/dbraw/zinc/00/10/21/1186001021.db2.gz GCKCVNNWWBWYDB-DZVNLGKHSA-N 2 1 356.470 0.111 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000978753641 1186001029 /nfs/dbraw/zinc/00/10/29/1186001029.db2.gz GCKCVNNWWBWYDB-DZVNLGKHSA-N 2 1 356.470 0.111 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978874804 1186022996 /nfs/dbraw/zinc/02/29/96/1186022996.db2.gz NOJIPPFNIBRWDC-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978874804 1186023002 /nfs/dbraw/zinc/02/30/02/1186023002.db2.gz NOJIPPFNIBRWDC-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978874804 1186023008 /nfs/dbraw/zinc/02/30/08/1186023008.db2.gz NOJIPPFNIBRWDC-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978874804 1186023013 /nfs/dbraw/zinc/02/30/13/1186023013.db2.gz NOJIPPFNIBRWDC-NQNKBUKLSA-N 2 1 366.506 0.058 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCO)C1 ZINC001211687931 1186029777 /nfs/dbraw/zinc/02/97/77/1186029777.db2.gz HQYGTOFWRDKNFN-RBUKOAKNSA-N 2 1 361.486 0.675 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979609547 1186102764 /nfs/dbraw/zinc/10/27/64/1186102764.db2.gz YUQXZDYGOBMNPM-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979609547 1186102766 /nfs/dbraw/zinc/10/27/66/1186102766.db2.gz YUQXZDYGOBMNPM-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979609547 1186102769 /nfs/dbraw/zinc/10/27/69/1186102769.db2.gz YUQXZDYGOBMNPM-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979609547 1186102771 /nfs/dbraw/zinc/10/27/71/1186102771.db2.gz YUQXZDYGOBMNPM-VIQHNZTISA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000980052534 1186168561 /nfs/dbraw/zinc/16/85/61/1186168561.db2.gz OLJOAYCCRWREBY-QBPKDAKJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001027965423 1186242343 /nfs/dbraw/zinc/24/23/43/1186242343.db2.gz BSUBSWFZVCEYJW-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001027965423 1186242347 /nfs/dbraw/zinc/24/23/47/1186242347.db2.gz BSUBSWFZVCEYJW-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)O1 ZINC001027965423 1186242350 /nfs/dbraw/zinc/24/23/50/1186242350.db2.gz BSUBSWFZVCEYJW-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(CO)cc2)O1 ZINC001027965423 1186242354 /nfs/dbraw/zinc/24/23/54/1186242354.db2.gz BSUBSWFZVCEYJW-AYOQOUSVSA-N 2 1 361.486 0.979 20 0 FCADMP CCn1cc(CC[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981439377 1186419928 /nfs/dbraw/zinc/41/99/28/1186419928.db2.gz CWXKIOOCOJKIRT-SJLPKXTDSA-N 2 1 363.506 0.699 20 0 FCADMP CCn1cc(CC[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981439377 1186419931 /nfs/dbraw/zinc/41/99/31/1186419931.db2.gz CWXKIOOCOJKIRT-SJLPKXTDSA-N 2 1 363.506 0.699 20 0 FCADMP CCn1cc(CC[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981439377 1186419934 /nfs/dbraw/zinc/41/99/34/1186419934.db2.gz CWXKIOOCOJKIRT-SJLPKXTDSA-N 2 1 363.506 0.699 20 0 FCADMP CCn1cc(CC[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981439377 1186419938 /nfs/dbraw/zinc/41/99/38/1186419938.db2.gz CWXKIOOCOJKIRT-SJLPKXTDSA-N 2 1 363.506 0.699 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(Cc2cn(C)nn2)C3)CC[N@H+]1C ZINC000981778553 1186519115 /nfs/dbraw/zinc/51/91/15/1186519115.db2.gz MVUOYJKVHFBCKR-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001211720975 1187466769 /nfs/dbraw/zinc/46/67/69/1187466769.db2.gz UQWLBFVEVXEUAF-GBESFXJTSA-N 2 1 361.486 0.531 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cn1 ZINC000893871302 1187519703 /nfs/dbraw/zinc/51/97/03/1187519703.db2.gz JJKVTRLNZOXNGK-HOTGVXAUSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)nc1 ZINC000893871302 1187519707 /nfs/dbraw/zinc/51/97/07/1187519707.db2.gz JJKVTRLNZOXNGK-HOTGVXAUSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)nc1 ZINC000893871302 1187519709 /nfs/dbraw/zinc/51/97/09/1187519709.db2.gz JJKVTRLNZOXNGK-HOTGVXAUSA-N 2 1 359.474 0.730 20 0 FCADMP CCOC(=O)Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894097480 1187537697 /nfs/dbraw/zinc/53/76/97/1187537697.db2.gz MFNAEGCSZKHUCK-KBPBESRZSA-N 2 1 358.446 0.498 20 0 FCADMP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643760 1187567140 /nfs/dbraw/zinc/56/71/40/1187567140.db2.gz KFFAKTTUPZDZOL-UHOSZYNNSA-N 2 1 359.470 0.929 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881990 1187574722 /nfs/dbraw/zinc/57/47/22/1187574722.db2.gz FXYBVVUOCOFHRJ-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982931610 1187801855 /nfs/dbraw/zinc/80/18/55/1187801855.db2.gz AFDCQBWLYBTUFP-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000982931610 1187801857 /nfs/dbraw/zinc/80/18/57/1187801857.db2.gz AFDCQBWLYBTUFP-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000982994575 1187810088 /nfs/dbraw/zinc/81/00/88/1187810088.db2.gz OTHZNENCQJWVLV-YESZJQIVSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000982994575 1187810092 /nfs/dbraw/zinc/81/00/92/1187810092.db2.gz OTHZNENCQJWVLV-YESZJQIVSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]12CC(=O)N(CCn1ccnc1)C2 ZINC001270155753 1188033294 /nfs/dbraw/zinc/03/32/94/1188033294.db2.gz RNLGMRICHGQDNF-LPHOPBHVSA-N 2 1 359.474 0.961 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]12CC(=O)N(CCn1ccnc1)C2 ZINC001270155754 1188033419 /nfs/dbraw/zinc/03/34/19/1188033419.db2.gz RNLGMRICHGQDNF-QFBILLFUSA-N 2 1 359.474 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000550136515 1188233868 /nfs/dbraw/zinc/23/38/68/1188233868.db2.gz HCIBJTUUCJCDPU-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000550136515 1188233869 /nfs/dbraw/zinc/23/38/69/1188233869.db2.gz HCIBJTUUCJCDPU-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@H]1CCC[NH+](C)C1)C2 ZINC000894788558 1188250631 /nfs/dbraw/zinc/25/06/31/1188250631.db2.gz SNWXZNYBPQWPJS-HMQMGEFJSA-N 2 1 365.522 0.806 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@H]1CCC[N@H+](C)C1)C2 ZINC000894788558 1188250634 /nfs/dbraw/zinc/25/06/34/1188250634.db2.gz SNWXZNYBPQWPJS-HMQMGEFJSA-N 2 1 365.522 0.806 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C2 ZINC000894788558 1188250637 /nfs/dbraw/zinc/25/06/37/1188250637.db2.gz SNWXZNYBPQWPJS-HMQMGEFJSA-N 2 1 365.522 0.806 20 0 FCADMP C[C@H]([NH2+]Cc1ccn(C)n1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112182 1188293703 /nfs/dbraw/zinc/29/37/03/1188293703.db2.gz XCUPKHGPYPMLHF-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H]([NH2+]Cc1ccn(C)n1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112182 1188293706 /nfs/dbraw/zinc/29/37/06/1188293706.db2.gz XCUPKHGPYPMLHF-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111883 1188293856 /nfs/dbraw/zinc/29/38/56/1188293856.db2.gz QUNVETMAAGUDHO-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111883 1188293859 /nfs/dbraw/zinc/29/38/59/1188293859.db2.gz QUNVETMAAGUDHO-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001270878818 1188394010 /nfs/dbraw/zinc/39/40/10/1188394010.db2.gz CKEAQGPNEURSHB-MGPQQGTHSA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000550457073 1189496949 /nfs/dbraw/zinc/49/69/49/1189496949.db2.gz IQCFSEPEECPTHF-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000550457073 1189496960 /nfs/dbraw/zinc/49/69/60/1189496960.db2.gz IQCFSEPEECPTHF-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000550457073 1189496964 /nfs/dbraw/zinc/49/69/64/1189496964.db2.gz IQCFSEPEECPTHF-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC001087576150 1189615960 /nfs/dbraw/zinc/61/59/60/1189615960.db2.gz QIBIRHISMRNYGW-HPFXQQBRSA-N 2 1 366.506 0.188 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC001087576150 1189615983 /nfs/dbraw/zinc/61/59/83/1189615983.db2.gz QIBIRHISMRNYGW-HPFXQQBRSA-N 2 1 366.506 0.188 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000550493268 1189704004 /nfs/dbraw/zinc/70/40/04/1189704004.db2.gz BRDBMXXBIVVWSV-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCN1CCNC1=O ZINC001087750189 1189811501 /nfs/dbraw/zinc/81/15/01/1189811501.db2.gz XJBFNWJRSBLLBB-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001075818909 1189818361 /nfs/dbraw/zinc/81/83/61/1189818361.db2.gz NAKKFYPWUGEQRK-CWRNSKLLSA-N 2 1 359.474 0.559 20 0 FCADMP CN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895333969 1189836003 /nfs/dbraw/zinc/83/60/03/1189836003.db2.gz MZBBDQDPHDIXIQ-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001691523289 1189847461 /nfs/dbraw/zinc/84/74/61/1189847461.db2.gz BYLOZXSYSADGJZ-DDBAPUKQSA-N 2 1 358.486 0.562 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967254 1190023748 /nfs/dbraw/zinc/02/37/48/1190023748.db2.gz PKGFLWMEKDZBIL-ZACQAIPSSA-N 2 1 362.518 0.907 20 0 FCADMP NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967254 1190023754 /nfs/dbraw/zinc/02/37/54/1190023754.db2.gz PKGFLWMEKDZBIL-ZACQAIPSSA-N 2 1 362.518 0.907 20 0 FCADMP CN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000896468581 1190064139 /nfs/dbraw/zinc/06/41/39/1190064139.db2.gz QABZAXPMKVCSFS-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000896468581 1190064144 /nfs/dbraw/zinc/06/41/44/1190064144.db2.gz QABZAXPMKVCSFS-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000896468581 1190064151 /nfs/dbraw/zinc/06/41/51/1190064151.db2.gz QABZAXPMKVCSFS-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000896468579 1190064495 /nfs/dbraw/zinc/06/44/95/1190064495.db2.gz QABZAXPMKVCSFS-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000896468579 1190064501 /nfs/dbraw/zinc/06/45/01/1190064501.db2.gz QABZAXPMKVCSFS-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](C)C1 ZINC000896468579 1190064504 /nfs/dbraw/zinc/06/45/04/1190064504.db2.gz QABZAXPMKVCSFS-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)Cn1cc[nH+]c1C ZINC000984730290 1190097178 /nfs/dbraw/zinc/09/71/78/1190097178.db2.gz SVVUASKECJFVJF-ARFHVFGLSA-N 2 1 363.462 0.018 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087992876 1190143834 /nfs/dbraw/zinc/14/38/34/1190143834.db2.gz QFUCHTNXIRSXCH-IXDOHACOSA-N 2 1 369.473 0.833 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087992876 1190143837 /nfs/dbraw/zinc/14/38/37/1190143837.db2.gz QFUCHTNXIRSXCH-IXDOHACOSA-N 2 1 369.473 0.833 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992810 1190143980 /nfs/dbraw/zinc/14/39/80/1190143980.db2.gz NRISTQRRJKHMNR-OAGGEKHMSA-N 2 1 362.518 0.918 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1)C1CC1 ZINC001087995010 1190147752 /nfs/dbraw/zinc/14/77/52/1190147752.db2.gz NYGMQUYOEKCCAA-CVEARBPZSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1)C1CC1 ZINC001087995010 1190147754 /nfs/dbraw/zinc/14/77/54/1190147754.db2.gz NYGMQUYOEKCCAA-CVEARBPZSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1)C1CC1 ZINC001087995010 1190147757 /nfs/dbraw/zinc/14/77/57/1190147757.db2.gz NYGMQUYOEKCCAA-CVEARBPZSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087999670 1190170688 /nfs/dbraw/zinc/17/06/88/1190170688.db2.gz WOMWMAFNAIWPPA-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087999670 1190170691 /nfs/dbraw/zinc/17/06/91/1190170691.db2.gz WOMWMAFNAIWPPA-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)nn1 ZINC001087999670 1190170694 /nfs/dbraw/zinc/17/06/94/1190170694.db2.gz WOMWMAFNAIWPPA-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@@H]3C2)nn1 ZINC001087999670 1190170696 /nfs/dbraw/zinc/17/06/96/1190170696.db2.gz WOMWMAFNAIWPPA-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088002509 1190184296 /nfs/dbraw/zinc/18/42/96/1190184296.db2.gz JHOSAKIMNOTOJX-AOIWGVFYSA-N 2 1 364.534 0.975 20 0 FCADMP Cc1ncoc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011360 1190210832 /nfs/dbraw/zinc/21/08/32/1190210832.db2.gz JVWLPXPNAJPPBZ-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncoc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011360 1190210838 /nfs/dbraw/zinc/21/08/38/1190210838.db2.gz JVWLPXPNAJPPBZ-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncoc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011360 1190210843 /nfs/dbraw/zinc/21/08/43/1190210843.db2.gz JVWLPXPNAJPPBZ-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncoc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011360 1190210850 /nfs/dbraw/zinc/21/08/50/1190210850.db2.gz JVWLPXPNAJPPBZ-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014164 1190216444 /nfs/dbraw/zinc/21/64/44/1190216444.db2.gz IOACXNYSJARNGS-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014164 1190216449 /nfs/dbraw/zinc/21/64/49/1190216449.db2.gz IOACXNYSJARNGS-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088014164 1190216454 /nfs/dbraw/zinc/21/64/54/1190216454.db2.gz IOACXNYSJARNGS-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1)C1CC1 ZINC001088014496 1190216518 /nfs/dbraw/zinc/21/65/18/1190216518.db2.gz XCZREMIDXVDPPZ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1)C1CC1 ZINC001088014496 1190216526 /nfs/dbraw/zinc/21/65/26/1190216526.db2.gz XCZREMIDXVDPPZ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1)C1CC1 ZINC001088014496 1190216531 /nfs/dbraw/zinc/21/65/31/1190216531.db2.gz XCZREMIDXVDPPZ-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCn4cncc4C3)C[C@@H]2C1 ZINC001088017379 1190226487 /nfs/dbraw/zinc/22/64/87/1190226487.db2.gz YKHIPTHFTNGSER-XHSDSOJGSA-N 2 1 359.474 0.314 20 0 FCADMP CO[C@H](CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001271288883 1190386512 /nfs/dbraw/zinc/38/65/12/1190386512.db2.gz ABOGEWVRGUDNMH-KBAYOESNSA-N 2 1 361.486 0.877 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083979 1190478097 /nfs/dbraw/zinc/47/80/97/1190478097.db2.gz RHVBXXTZZCUXMP-VNQPRFMTSA-N 2 1 362.474 0.999 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4cnc(C)n4C3)C[C@@H]2C1 ZINC001088084858 1190486023 /nfs/dbraw/zinc/48/60/23/1190486023.db2.gz IFGPSZIZWFFPTQ-PMPSAXMXSA-N 2 1 359.474 0.280 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001088115951 1190609555 /nfs/dbraw/zinc/60/95/55/1190609555.db2.gz XMCUDDINOOZUOI-HCXYKTFWSA-N 2 1 370.497 0.597 20 0 FCADMP COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136054 1190642244 /nfs/dbraw/zinc/64/22/44/1190642244.db2.gz SSFJLLCPHDIXQD-NUJGCVRESA-N 2 1 363.506 0.874 20 0 FCADMP Cc1ncoc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140323 1190659080 /nfs/dbraw/zinc/65/90/80/1190659080.db2.gz GECSDPGGGZOQOW-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP Cc1ncoc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140323 1190659085 /nfs/dbraw/zinc/65/90/85/1190659085.db2.gz GECSDPGGGZOQOW-SJORKVTESA-N 2 1 362.474 0.986 20 0 FCADMP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896989510 1190668617 /nfs/dbraw/zinc/66/86/17/1190668617.db2.gz UJSKPCDIPLDSQI-IBGZPJMESA-N 2 1 364.534 0.724 20 0 FCADMP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000896989510 1190668619 /nfs/dbraw/zinc/66/86/19/1190668619.db2.gz UJSKPCDIPLDSQI-IBGZPJMESA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986138266 1190903886 /nfs/dbraw/zinc/90/38/86/1190903886.db2.gz VLXWPYXHWOSPRS-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986138935 1190904304 /nfs/dbraw/zinc/90/43/04/1190904304.db2.gz ZYEYUFWMHKMEHA-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001272022111 1190958840 /nfs/dbraw/zinc/95/88/40/1190958840.db2.gz MPPUROYNNWKEAT-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001272022111 1190958842 /nfs/dbraw/zinc/95/88/42/1190958842.db2.gz MPPUROYNNWKEAT-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000986334776 1190958877 /nfs/dbraw/zinc/95/88/77/1190958877.db2.gz ZASDLCWYFHMHOP-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001075886489 1191117572 /nfs/dbraw/zinc/11/75/72/1191117572.db2.gz VLQURXKLKISLCV-RYQLBKOJSA-N 2 1 361.490 0.261 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001075886489 1191117574 /nfs/dbraw/zinc/11/75/74/1191117574.db2.gz VLQURXKLKISLCV-RYQLBKOJSA-N 2 1 361.490 0.261 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059790060 1191128432 /nfs/dbraw/zinc/12/84/32/1191128432.db2.gz ITNXWCUGBJVGED-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059790060 1191128433 /nfs/dbraw/zinc/12/84/33/1191128433.db2.gz ITNXWCUGBJVGED-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059790060 1191128434 /nfs/dbraw/zinc/12/84/34/1191128434.db2.gz ITNXWCUGBJVGED-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059790060 1191128435 /nfs/dbraw/zinc/12/84/35/1191128435.db2.gz ITNXWCUGBJVGED-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC000988190504 1191157622 /nfs/dbraw/zinc/15/76/22/1191157622.db2.gz OQKGSQKNDYZXED-OIISXLGYSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897451210 1191195488 /nfs/dbraw/zinc/19/54/88/1191195488.db2.gz NYSLLLCUQPRDOS-OAHLLOKOSA-N 2 1 370.457 0.830 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC001088563262 1191197631 /nfs/dbraw/zinc/19/76/31/1191197631.db2.gz JSFYXDBJXIMHRY-IXDOHACOSA-N 2 1 366.506 0.297 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001218182167 1224146239 /nfs/dbraw/zinc/14/62/39/1224146239.db2.gz WIWWCTSVNWXTAV-ZSBIGDGJSA-N 2 1 364.446 0.765 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204504 1224147248 /nfs/dbraw/zinc/14/72/48/1224147248.db2.gz AGLHHQDHPYIEDF-RYQLBKOJSA-N 2 1 362.474 0.854 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218204481 1224147303 /nfs/dbraw/zinc/14/73/03/1224147303.db2.gz ADYMMFDTSWGQNK-BPQIPLTHSA-N 2 1 362.474 0.854 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CC1 ZINC001218306600 1224153013 /nfs/dbraw/zinc/15/30/13/1224153013.db2.gz ONMJDFKAZQQOMJ-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CC1 ZINC001218306600 1224153014 /nfs/dbraw/zinc/15/30/14/1224153014.db2.gz ONMJDFKAZQQOMJ-OKZBNKHCSA-N 2 1 362.474 0.918 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000550709030 1193739044 /nfs/dbraw/zinc/73/90/44/1193739044.db2.gz ZOIQEYZDUMVSNN-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000550709030 1193739047 /nfs/dbraw/zinc/73/90/47/1193739047.db2.gz ZOIQEYZDUMVSNN-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000550709030 1193739050 /nfs/dbraw/zinc/73/90/50/1193739050.db2.gz ZOIQEYZDUMVSNN-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691589401 1193756437 /nfs/dbraw/zinc/75/64/37/1193756437.db2.gz OHBMZJJKZYUSPH-YYIAUSFCSA-N 2 1 367.538 0.909 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000551043334 1193830276 /nfs/dbraw/zinc/83/02/76/1193830276.db2.gz VFNPTOQTTQIDKZ-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000551043334 1193830280 /nfs/dbraw/zinc/83/02/80/1193830280.db2.gz VFNPTOQTTQIDKZ-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000551043334 1193830283 /nfs/dbraw/zinc/83/02/83/1193830283.db2.gz VFNPTOQTTQIDKZ-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551135281 1193834790 /nfs/dbraw/zinc/83/47/90/1193834790.db2.gz BZXPVMHTDWKZLK-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551163372 1193837887 /nfs/dbraw/zinc/83/78/87/1193837887.db2.gz FDOHNSIQIRUPFJ-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CCOC1CCC1 ZINC001088757253 1193892411 /nfs/dbraw/zinc/89/24/11/1193892411.db2.gz PSKINMBUFFXMMZ-ADVWOHTOSA-N 2 1 363.502 0.998 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CCOC1CCC1 ZINC001088757253 1193892412 /nfs/dbraw/zinc/89/24/12/1193892412.db2.gz PSKINMBUFFXMMZ-ADVWOHTOSA-N 2 1 363.502 0.998 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CCOC1CCC1 ZINC001088757253 1193892414 /nfs/dbraw/zinc/89/24/14/1193892414.db2.gz PSKINMBUFFXMMZ-ADVWOHTOSA-N 2 1 363.502 0.998 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]([NH3+])Cc3cccc(O)c3)cn2)CC1 ZINC001218580405 1224176887 /nfs/dbraw/zinc/17/68/87/1224176887.db2.gz QABOHVZHFFSDOX-INIZCTEOSA-N 2 1 356.430 0.443 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]([NH3+])Cc3ccccc3F)cn2)CC1 ZINC001218580985 1224177054 /nfs/dbraw/zinc/17/70/54/1224177054.db2.gz ZRJUSCHNRCRVQP-MRXNPFEDSA-N 2 1 358.421 0.876 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552470666 1193933008 /nfs/dbraw/zinc/93/30/08/1193933008.db2.gz BLUPHGBJFFIWLP-INIZCTEOSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000552540074 1193938028 /nfs/dbraw/zinc/93/80/28/1193938028.db2.gz LMSOPAIHIOENFA-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000552539770 1193938120 /nfs/dbraw/zinc/93/81/20/1193938120.db2.gz AMOPRLYCUFUDDO-GVDBMIGSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000552539770 1193938127 /nfs/dbraw/zinc/93/81/27/1193938127.db2.gz AMOPRLYCUFUDDO-GVDBMIGSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000552539007 1193938458 /nfs/dbraw/zinc/93/84/58/1193938458.db2.gz VBYJTQYOZXMWDR-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000552539007 1193938460 /nfs/dbraw/zinc/93/84/60/1193938460.db2.gz VBYJTQYOZXMWDR-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001075995059 1193953034 /nfs/dbraw/zinc/95/30/34/1193953034.db2.gz WLGXBBMKJCIEPB-USXIJHARSA-N 2 1 353.426 0.711 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000553685650 1194015190 /nfs/dbraw/zinc/01/51/90/1194015190.db2.gz ZGVXYDXFJJFJHG-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734984 1194018555 /nfs/dbraw/zinc/01/85/55/1194018555.db2.gz NRZBMFBVWXRRSP-IRXDYDNUSA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000553734984 1194018559 /nfs/dbraw/zinc/01/85/59/1194018559.db2.gz NRZBMFBVWXRRSP-IRXDYDNUSA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000553734984 1194018565 /nfs/dbraw/zinc/01/85/65/1194018565.db2.gz NRZBMFBVWXRRSP-IRXDYDNUSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506209 1194052950 /nfs/dbraw/zinc/05/29/50/1194052950.db2.gz VTRPPGHDRFNJLT-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506209 1194052956 /nfs/dbraw/zinc/05/29/56/1194052956.db2.gz VTRPPGHDRFNJLT-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506209 1194052963 /nfs/dbraw/zinc/05/29/63/1194052963.db2.gz VTRPPGHDRFNJLT-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001083506209 1194052970 /nfs/dbraw/zinc/05/29/70/1194052970.db2.gz VTRPPGHDRFNJLT-KURKYZTESA-N 2 1 363.506 0.481 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645873 1224189785 /nfs/dbraw/zinc/18/97/85/1224189785.db2.gz LHLCCWJSCSRQKH-DLBZAZTESA-N 2 1 371.522 0.539 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645873 1224189790 /nfs/dbraw/zinc/18/97/90/1224189790.db2.gz LHLCCWJSCSRQKH-DLBZAZTESA-N 2 1 371.522 0.539 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645873 1224189793 /nfs/dbraw/zinc/18/97/93/1224189793.db2.gz LHLCCWJSCSRQKH-DLBZAZTESA-N 2 1 371.522 0.539 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645873 1224189795 /nfs/dbraw/zinc/18/97/95/1224189795.db2.gz LHLCCWJSCSRQKH-DLBZAZTESA-N 2 1 371.522 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191502 1194086227 /nfs/dbraw/zinc/08/62/27/1194086227.db2.gz YUJTXLMZEPNEAC-UZLBHIALSA-N 2 1 358.486 0.835 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NN3C(=O)[C@H](C)N(C)C3=O)CC2)CC1 ZINC000899038032 1194098065 /nfs/dbraw/zinc/09/80/65/1194098065.db2.gz KNMIKKLTLBPOFP-ZDUSSCGKSA-N 2 1 365.478 0.496 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522824 1194143914 /nfs/dbraw/zinc/14/39/14/1194143914.db2.gz ZCDZLSKZKNYXIR-ZACQAIPSSA-N 2 1 362.474 0.739 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522824 1194143915 /nfs/dbraw/zinc/14/39/15/1194143915.db2.gz ZCDZLSKZKNYXIR-ZACQAIPSSA-N 2 1 362.474 0.739 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)N1CCC1 ZINC001076046954 1194273367 /nfs/dbraw/zinc/27/33/67/1194273367.db2.gz VCYDUCMJFZZALS-WMLDXEAASA-N 2 1 353.426 0.713 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)N1CCC1 ZINC001076046954 1194273372 /nfs/dbraw/zinc/27/33/72/1194273372.db2.gz VCYDUCMJFZZALS-WMLDXEAASA-N 2 1 353.426 0.713 20 0 FCADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076086030 1194299084 /nfs/dbraw/zinc/29/90/84/1194299084.db2.gz LYFWAOBODPXZLM-KSZLIROESA-N 2 1 358.490 0.685 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001691626838 1194323125 /nfs/dbraw/zinc/32/31/25/1194323125.db2.gz PVRPKLUYPPJQFZ-HLLBOEOZSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076147660 1194330456 /nfs/dbraw/zinc/33/04/56/1194330456.db2.gz PTRDEQJOVIAMLD-HRCADAONSA-N 2 1 362.474 0.152 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001076174680 1194338609 /nfs/dbraw/zinc/33/86/09/1194338609.db2.gz WQECKXALAOVBPH-RCCFBDPRSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001076174680 1194338612 /nfs/dbraw/zinc/33/86/12/1194338612.db2.gz WQECKXALAOVBPH-RCCFBDPRSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC001076174680 1194338614 /nfs/dbraw/zinc/33/86/14/1194338614.db2.gz WQECKXALAOVBPH-RCCFBDPRSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC001076174680 1194338616 /nfs/dbraw/zinc/33/86/16/1194338616.db2.gz WQECKXALAOVBPH-RCCFBDPRSA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076203907 1194352902 /nfs/dbraw/zinc/35/29/02/1194352902.db2.gz JEEHWTGDYGLCIN-RCCFBDPRSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001076206144 1194353628 /nfs/dbraw/zinc/35/36/28/1194353628.db2.gz ASBPCLZNSYGWSW-YESZJQIVSA-N 2 1 358.490 0.640 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001076309409 1194391527 /nfs/dbraw/zinc/39/15/27/1194391527.db2.gz QLWAZGCHYHARAZ-ARFHVFGLSA-N 2 1 359.474 0.770 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001076309409 1194391530 /nfs/dbraw/zinc/39/15/30/1194391530.db2.gz QLWAZGCHYHARAZ-ARFHVFGLSA-N 2 1 359.474 0.770 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)cn1 ZINC001076344871 1194406498 /nfs/dbraw/zinc/40/64/98/1194406498.db2.gz CYVZJKFJMBUHSU-FUHWJXTLSA-N 2 1 371.489 0.488 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076399099 1194456233 /nfs/dbraw/zinc/45/62/33/1194456233.db2.gz WDGFPRPJOZSRFM-ARFHVFGLSA-N 2 1 362.474 0.056 20 0 FCADMP CCOCCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795223 1224220211 /nfs/dbraw/zinc/22/02/11/1224220211.db2.gz XXBPDUQDKSSYFT-BEFAXECRSA-N 2 1 369.506 0.613 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467589 1194502704 /nfs/dbraw/zinc/50/27/04/1194502704.db2.gz NRUSXWYDDXFOCR-IXDOHACOSA-N 2 1 360.502 0.531 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467807 1194503140 /nfs/dbraw/zinc/50/31/40/1194503140.db2.gz UCNQUPNLXGSYFA-DOTOQJQBSA-N 2 1 358.490 0.735 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467807 1194503146 /nfs/dbraw/zinc/50/31/46/1194503146.db2.gz UCNQUPNLXGSYFA-DOTOQJQBSA-N 2 1 358.490 0.735 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467581 1194503215 /nfs/dbraw/zinc/50/32/15/1194503215.db2.gz NMWCICDWAFATTI-JKSUJKDBSA-N 2 1 359.474 0.939 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001218804337 1224225982 /nfs/dbraw/zinc/22/59/82/1224225982.db2.gz WMPKGXLSDWXQHM-DLBZAZTESA-N 2 1 362.474 0.139 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001691630212 1194588204 /nfs/dbraw/zinc/58/82/04/1194588204.db2.gz JNOPADKNVSAAMK-QWHCGFSZSA-N 2 1 355.483 0.034 20 0 FCADMP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844692 1224238463 /nfs/dbraw/zinc/23/84/63/1224238463.db2.gz JIHSSANIAPGTIX-ZWKOTPCHSA-N 2 1 369.506 0.434 20 0 FCADMP CN1CCN(c2ccc(F)cc2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001218861357 1224242394 /nfs/dbraw/zinc/24/23/94/1224242394.db2.gz KUUYPOVQQOJDHY-AUUYWEPGSA-N 2 1 361.465 0.715 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919650 1224259175 /nfs/dbraw/zinc/25/91/75/1224259175.db2.gz XKHYWWHFGZOWST-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919650 1224259179 /nfs/dbraw/zinc/25/91/79/1224259179.db2.gz XKHYWWHFGZOWST-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919650 1224259189 /nfs/dbraw/zinc/25/91/89/1224259189.db2.gz XKHYWWHFGZOWST-IXDOHACOSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218919607 1224260500 /nfs/dbraw/zinc/26/05/00/1224260500.db2.gz VIHCRNCBZMKGEV-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218919607 1224260512 /nfs/dbraw/zinc/26/05/12/1224260512.db2.gz VIHCRNCBZMKGEV-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218919607 1224260524 /nfs/dbraw/zinc/26/05/24/1224260524.db2.gz VIHCRNCBZMKGEV-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)n1 ZINC001077014333 1195148768 /nfs/dbraw/zinc/14/87/68/1195148768.db2.gz QEXWADFGUOWPDV-IAGOWNOFSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560286 1195155543 /nfs/dbraw/zinc/15/55/43/1195155543.db2.gz YXZQOTJOFTUAPX-MSOLQXFVSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560286 1195155550 /nfs/dbraw/zinc/15/55/50/1195155550.db2.gz YXZQOTJOFTUAPX-MSOLQXFVSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023691 1195160519 /nfs/dbraw/zinc/16/05/19/1195160519.db2.gz OFTHRXWHZUZRCN-BRSBDYLESA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023691 1195160522 /nfs/dbraw/zinc/16/05/22/1195160522.db2.gz OFTHRXWHZUZRCN-BRSBDYLESA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023691 1195160528 /nfs/dbraw/zinc/16/05/28/1195160528.db2.gz OFTHRXWHZUZRCN-BRSBDYLESA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023691 1195160533 /nfs/dbraw/zinc/16/05/33/1195160533.db2.gz OFTHRXWHZUZRCN-BRSBDYLESA-N 2 1 361.486 0.875 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396018 1195494027 /nfs/dbraw/zinc/49/40/27/1195494027.db2.gz KUPCYPPEEGMXHN-GUDVDZBRSA-N 2 1 366.421 0.843 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396018 1195494033 /nfs/dbraw/zinc/49/40/33/1195494033.db2.gz KUPCYPPEEGMXHN-GUDVDZBRSA-N 2 1 366.421 0.843 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(Cc3cc(C)ncn3)C[C@@H]21 ZINC001219004242 1224284454 /nfs/dbraw/zinc/28/44/54/1224284454.db2.gz BXEWYCHIWLQBSO-ZWKOTPCHSA-N 2 1 361.490 0.929 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077399629 1195500334 /nfs/dbraw/zinc/50/03/34/1195500334.db2.gz SCKGZSDVMPCLOR-QGPMSJSTSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077399629 1195500344 /nfs/dbraw/zinc/50/03/44/1195500344.db2.gz SCKGZSDVMPCLOR-QGPMSJSTSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418277 1195517831 /nfs/dbraw/zinc/51/78/31/1195517831.db2.gz LVUJLMRTAHRFEP-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418277 1195517835 /nfs/dbraw/zinc/51/78/35/1195517835.db2.gz LVUJLMRTAHRFEP-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418277 1195517838 /nfs/dbraw/zinc/51/78/38/1195517838.db2.gz LVUJLMRTAHRFEP-SYJBPTKTSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418264 1195517963 /nfs/dbraw/zinc/51/79/63/1195517963.db2.gz LKCWSZSPASEAEI-MOXMWUHRSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418264 1195517967 /nfs/dbraw/zinc/51/79/67/1195517967.db2.gz LKCWSZSPASEAEI-MOXMWUHRSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418264 1195517973 /nfs/dbraw/zinc/51/79/73/1195517973.db2.gz LKCWSZSPASEAEI-MOXMWUHRSA-N 2 1 357.454 0.211 20 0 FCADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905368589 1195584136 /nfs/dbraw/zinc/58/41/36/1195584136.db2.gz UCBILWBGEQIYNO-ZCNNSNEGSA-N 2 1 364.486 0.635 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590513 1195585463 /nfs/dbraw/zinc/58/54/63/1195585463.db2.gz ISUVFPCQHOGYAP-XYPHTWIQSA-N 2 1 366.462 0.470 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591173 1195589960 /nfs/dbraw/zinc/58/99/60/1195589960.db2.gz PCDHRUBKSRJJIF-JQHSSLGASA-N 2 1 358.442 0.987 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001083594148 1195604461 /nfs/dbraw/zinc/60/44/61/1195604461.db2.gz OJQBXRSINXJVQG-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083594148 1195604467 /nfs/dbraw/zinc/60/44/67/1195604467.db2.gz OJQBXRSINXJVQG-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083594148 1195604472 /nfs/dbraw/zinc/60/44/72/1195604472.db2.gz OJQBXRSINXJVQG-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083594148 1195604485 /nfs/dbraw/zinc/60/44/85/1195604485.db2.gz OJQBXRSINXJVQG-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083594148 1195604493 /nfs/dbraw/zinc/60/44/93/1195604493.db2.gz OJQBXRSINXJVQG-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602266 1195666174 /nfs/dbraw/zinc/66/61/74/1195666174.db2.gz LYJOVYGICYZRIB-MSOLQXFVSA-N 2 1 359.470 0.855 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602266 1195666180 /nfs/dbraw/zinc/66/61/80/1195666180.db2.gz LYJOVYGICYZRIB-MSOLQXFVSA-N 2 1 359.470 0.855 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000907292080 1195688528 /nfs/dbraw/zinc/68/85/28/1195688528.db2.gz OCWBJFDIHIWZLQ-IBGZPJMESA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000907292080 1195688533 /nfs/dbraw/zinc/68/85/33/1195688533.db2.gz OCWBJFDIHIWZLQ-IBGZPJMESA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000907292080 1195688537 /nfs/dbraw/zinc/68/85/37/1195688537.db2.gz OCWBJFDIHIWZLQ-IBGZPJMESA-N 2 1 360.502 0.363 20 0 FCADMP O=C(N[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000991123742 1195728989 /nfs/dbraw/zinc/72/89/89/1195728989.db2.gz ZJZLQUUJFAFKJX-SZXPJGKVSA-N 2 1 355.446 0.918 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000910832428 1195851344 /nfs/dbraw/zinc/85/13/44/1195851344.db2.gz QMKWBYIQJUYZIE-SJORKVTESA-N 2 1 373.501 0.919 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCCO1 ZINC000910984098 1195873248 /nfs/dbraw/zinc/87/32/48/1195873248.db2.gz LCVVPVRPTASETO-ZTFGCOKTSA-N 2 1 374.485 0.344 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037356 1224309132 /nfs/dbraw/zinc/30/91/32/1224309132.db2.gz GALHSKFTGDAJOE-FGTMMUONSA-N 2 1 369.506 0.171 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000911069459 1195885906 /nfs/dbraw/zinc/88/59/06/1195885906.db2.gz UIHRIWYZXMTJGI-RDJZCZTQSA-N 2 1 368.522 0.437 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911092197 1195887855 /nfs/dbraw/zinc/88/78/55/1195887855.db2.gz REXOPUUDRWAYPS-ZTFGCOKTSA-N 2 1 358.486 0.964 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911146155 1195898141 /nfs/dbraw/zinc/89/81/41/1195898141.db2.gz OOCNIPXOQUOVCW-UHFFFAOYSA-N 2 1 373.501 0.048 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911270549 1195925647 /nfs/dbraw/zinc/92/56/47/1195925647.db2.gz YMTMGZAVCZYVCF-IRXDYDNUSA-N 2 1 367.538 0.025 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644521 1195931883 /nfs/dbraw/zinc/93/18/83/1195931883.db2.gz KVMNCIRTLMYZJA-XKQJLSEDSA-N 2 1 371.441 0.026 20 0 FCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1 ZINC001083644669 1195933807 /nfs/dbraw/zinc/93/38/07/1195933807.db2.gz QJCAGTVBWIRKQO-ZACQAIPSSA-N 2 1 358.442 0.924 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000911366265 1195948394 /nfs/dbraw/zinc/94/83/94/1195948394.db2.gz ZRFMAMHEVBECIN-HNNXBMFYSA-N 2 1 366.506 0.109 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054622 1224323047 /nfs/dbraw/zinc/32/30/47/1224323047.db2.gz HCGNQDFZCYLKLH-YESZJQIVSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054622 1224323055 /nfs/dbraw/zinc/32/30/55/1224323055.db2.gz HCGNQDFZCYLKLH-YESZJQIVSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219054622 1224323062 /nfs/dbraw/zinc/32/30/62/1224323062.db2.gz HCGNQDFZCYLKLH-YESZJQIVSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358240 1196319474 /nfs/dbraw/zinc/31/94/74/1196319474.db2.gz IAQRTIZPBLDCMF-KLICCBINSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cncn2C)CC3)O1 ZINC000991358240 1196319478 /nfs/dbraw/zinc/31/94/78/1196319478.db2.gz IAQRTIZPBLDCMF-KLICCBINSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)O1 ZINC000991363938 1196327125 /nfs/dbraw/zinc/32/71/25/1196327125.db2.gz ZXIUKJSIFAEEFR-YKTARERQSA-N 2 1 364.490 0.051 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000912385793 1196343926 /nfs/dbraw/zinc/34/39/26/1196343926.db2.gz ODJNWUWTCLRILY-IBGZPJMESA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000912385793 1196343930 /nfs/dbraw/zinc/34/39/30/1196343930.db2.gz ODJNWUWTCLRILY-IBGZPJMESA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000912385793 1196343934 /nfs/dbraw/zinc/34/39/34/1196343934.db2.gz ODJNWUWTCLRILY-IBGZPJMESA-N 2 1 360.502 0.363 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000912992654 1196388252 /nfs/dbraw/zinc/38/82/52/1196388252.db2.gz JKRZELYULWJYJI-KRWDZBQOSA-N 2 1 367.538 0.249 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001168378478 1196471382 /nfs/dbraw/zinc/47/13/82/1196471382.db2.gz VQKUNVOLTDRSSO-BHIYHBOVSA-N 2 1 371.485 0.780 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001168378478 1196471389 /nfs/dbraw/zinc/47/13/89/1196471389.db2.gz VQKUNVOLTDRSSO-BHIYHBOVSA-N 2 1 371.485 0.780 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCO[C@H](C)C2)CC1=O ZINC000591644087 1196522357 /nfs/dbraw/zinc/52/23/57/1196522357.db2.gz PRIGNXXPNVZKBR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592563072 1196569143 /nfs/dbraw/zinc/56/91/43/1196569143.db2.gz UWOJGFXGDZNCCS-UONOGXRCSA-N 2 1 363.462 0.429 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958939 1196600405 /nfs/dbraw/zinc/60/04/05/1196600405.db2.gz AGSTZVGYQCHDBK-CABCVRRESA-N 3 1 360.506 0.618 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958939 1196600411 /nfs/dbraw/zinc/60/04/11/1196600411.db2.gz AGSTZVGYQCHDBK-CABCVRRESA-N 3 1 360.506 0.618 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592956630 1196600559 /nfs/dbraw/zinc/60/05/59/1196600559.db2.gz IJDDRLYZOULFAL-INIZCTEOSA-N 2 1 362.522 0.723 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000594077373 1196690487 /nfs/dbraw/zinc/69/04/87/1196690487.db2.gz WCVBASVEKLPAFL-GOSISDBHSA-N 2 1 373.501 0.684 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000594077373 1196690497 /nfs/dbraw/zinc/69/04/97/1196690497.db2.gz WCVBASVEKLPAFL-GOSISDBHSA-N 2 1 373.501 0.684 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000594077373 1196690509 /nfs/dbraw/zinc/69/05/09/1196690509.db2.gz WCVBASVEKLPAFL-GOSISDBHSA-N 2 1 373.501 0.684 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001105946536 1196750194 /nfs/dbraw/zinc/75/01/94/1196750194.db2.gz WYXXLKBWPOCQBN-INMHGKMJSA-N 2 1 362.474 0.674 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088898662 1196830661 /nfs/dbraw/zinc/83/06/61/1196830661.db2.gz PMHUZRLDIAZAPK-IXDOHACOSA-N 2 1 365.522 0.854 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053360 1196876962 /nfs/dbraw/zinc/87/69/62/1196876962.db2.gz SXLGCQMZKPJFJM-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053360 1196876963 /nfs/dbraw/zinc/87/69/63/1196876963.db2.gz SXLGCQMZKPJFJM-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053360 1196876964 /nfs/dbraw/zinc/87/69/64/1196876964.db2.gz SXLGCQMZKPJFJM-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053360 1196876966 /nfs/dbraw/zinc/87/69/66/1196876966.db2.gz SXLGCQMZKPJFJM-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106120445 1197041007 /nfs/dbraw/zinc/04/10/07/1197041007.db2.gz VRHNOUABCHKCPB-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696057 1197100923 /nfs/dbraw/zinc/10/09/23/1197100923.db2.gz HDCLSGKWFFQEKJ-SQNIBIBYSA-N 2 1 367.534 0.963 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689460 1197305266 /nfs/dbraw/zinc/30/52/66/1197305266.db2.gz QUXTTXRHEIWOMN-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689460 1197305271 /nfs/dbraw/zinc/30/52/71/1197305271.db2.gz QUXTTXRHEIWOMN-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689460 1197305275 /nfs/dbraw/zinc/30/52/75/1197305275.db2.gz QUXTTXRHEIWOMN-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3cnccn3)[C@H](C)C2)CC[N@H+]1C ZINC001106148005 1197308123 /nfs/dbraw/zinc/30/81/23/1197308123.db2.gz BKWITXRHEWFRQV-KLHDSHLOSA-N 2 1 374.489 0.439 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)CC[N@H+]1C ZINC001106149297 1197309089 /nfs/dbraw/zinc/30/90/89/1197309089.db2.gz DLUQNDQKQUGDQY-KLHDSHLOSA-N 2 1 364.490 0.160 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106150758 1197311097 /nfs/dbraw/zinc/31/10/97/1197311097.db2.gz DMRSEEHVBYBHGI-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106151163 1197311700 /nfs/dbraw/zinc/31/17/00/1197311700.db2.gz LPMUHXBZZNSRMO-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)CC[N@H+]1C ZINC001106151473 1197311980 /nfs/dbraw/zinc/31/19/80/1197311980.db2.gz UNTGASGPBFPOLV-WCXIOVBPSA-N 2 1 365.522 0.426 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001219262327 1224407452 /nfs/dbraw/zinc/40/74/52/1224407452.db2.gz UBSLIDQXIPATJD-SFHVURJKSA-N 2 1 359.430 0.481 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@]3(C)C2)C1 ZINC000992933317 1197611601 /nfs/dbraw/zinc/61/16/01/1197611601.db2.gz BYBDPHVZAWRKSR-QKLQHJQFSA-N 2 1 362.518 0.587 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945932 1197618877 /nfs/dbraw/zinc/61/88/77/1197618877.db2.gz ZPGCTPLRABZILU-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945932 1197618884 /nfs/dbraw/zinc/61/88/84/1197618884.db2.gz ZPGCTPLRABZILU-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945932 1197618889 /nfs/dbraw/zinc/61/88/89/1197618889.db2.gz ZPGCTPLRABZILU-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992951023 1197628100 /nfs/dbraw/zinc/62/81/00/1197628100.db2.gz HRPXXVMEFULIGR-FUHIMQAGSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085245022 1197737923 /nfs/dbraw/zinc/73/79/23/1197737923.db2.gz IFBKEQHTUAUHFP-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)O1 ZINC001085242959 1197740985 /nfs/dbraw/zinc/74/09/85/1197740985.db2.gz OIOPJKVEHXDBTQ-VDHUWJSZSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)O1 ZINC001085242959 1197740995 /nfs/dbraw/zinc/74/09/95/1197740995.db2.gz OIOPJKVEHXDBTQ-VDHUWJSZSA-N 2 1 363.506 0.699 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723474 1197753260 /nfs/dbraw/zinc/75/32/60/1197753260.db2.gz LXYNZNUNCXJXCS-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723474 1197753277 /nfs/dbraw/zinc/75/32/77/1197753277.db2.gz LXYNZNUNCXJXCS-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723474 1197753292 /nfs/dbraw/zinc/75/32/92/1197753292.db2.gz LXYNZNUNCXJXCS-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083723474 1197753303 /nfs/dbraw/zinc/75/33/03/1197753303.db2.gz LXYNZNUNCXJXCS-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001085275161 1197782140 /nfs/dbraw/zinc/78/21/40/1197782140.db2.gz RUMLQLMAXXUKLQ-ARFHVFGLSA-N 2 1 357.462 0.988 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106249182 1197784192 /nfs/dbraw/zinc/78/41/92/1197784192.db2.gz BOSUBSMFGDFQBA-OAGGEKHMSA-N 2 1 357.462 0.736 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106255914 1197793352 /nfs/dbraw/zinc/79/33/52/1197793352.db2.gz OYRHBGSLJGRRFV-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP CC(C)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371508 1197802129 /nfs/dbraw/zinc/80/21/29/1197802129.db2.gz VLITUZCHFPMAGJ-NVXWUHKLSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)NC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371508 1197802131 /nfs/dbraw/zinc/80/21/31/1197802131.db2.gz VLITUZCHFPMAGJ-NVXWUHKLSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)NC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371508 1197802132 /nfs/dbraw/zinc/80/21/32/1197802132.db2.gz VLITUZCHFPMAGJ-NVXWUHKLSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085306530 1197809357 /nfs/dbraw/zinc/80/93/57/1197809357.db2.gz DSWUVUQKBXGCCJ-ARFHVFGLSA-N 2 1 363.510 0.849 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085306530 1197809358 /nfs/dbraw/zinc/80/93/58/1197809358.db2.gz DSWUVUQKBXGCCJ-ARFHVFGLSA-N 2 1 363.510 0.849 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1)[NH+](C)C ZINC000993133256 1197855087 /nfs/dbraw/zinc/85/50/87/1197855087.db2.gz DUWAXXAMIYTCLL-TXPKVOOTSA-N 2 1 361.490 0.839 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000735589167 1197864173 /nfs/dbraw/zinc/86/41/73/1197864173.db2.gz FMIKSSSTCDCNHJ-HUUCEWRRSA-N 2 1 370.413 0.185 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106336694 1197868127 /nfs/dbraw/zinc/86/81/27/1197868127.db2.gz ZXSNWQVRXITKBY-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1 ZINC001106433142 1197923617 /nfs/dbraw/zinc/92/36/17/1197923617.db2.gz BYNABWNKBZSYOO-NXHRZFHOSA-N 2 1 366.506 0.909 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273350577 1197960417 /nfs/dbraw/zinc/96/04/17/1197960417.db2.gz VVYVSSYBJMYEEZ-QGZVFWFLSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129320770 1197974058 /nfs/dbraw/zinc/97/40/58/1197974058.db2.gz BCOMDIQLUVWRPO-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129320770 1197974061 /nfs/dbraw/zinc/97/40/61/1197974061.db2.gz BCOMDIQLUVWRPO-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326513 1198172279 /nfs/dbraw/zinc/17/22/79/1198172279.db2.gz JQDMTKNKENKUED-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326513 1198172283 /nfs/dbraw/zinc/17/22/83/1198172283.db2.gz JQDMTKNKENKUED-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326513 1198172289 /nfs/dbraw/zinc/17/22/89/1198172289.db2.gz JQDMTKNKENKUED-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129326513 1198172292 /nfs/dbraw/zinc/17/22/92/1198172292.db2.gz JQDMTKNKENKUED-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001086121026 1198181338 /nfs/dbraw/zinc/18/13/38/1198181338.db2.gz YOGQWGKELXCUIX-YIYPIFLZSA-N 2 1 371.432 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001086121026 1198181355 /nfs/dbraw/zinc/18/13/55/1198181355.db2.gz YOGQWGKELXCUIX-YIYPIFLZSA-N 2 1 371.432 0.982 20 0 FCADMP COc1coc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001086369875 1198330653 /nfs/dbraw/zinc/33/06/53/1198330653.db2.gz FBIXWKWKOJVRNM-IXYNUQLISA-N 2 1 363.458 0.973 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086399064 1198352540 /nfs/dbraw/zinc/35/25/40/1198352540.db2.gz LWKNJWHOSVVAGN-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086399064 1198352547 /nfs/dbraw/zinc/35/25/47/1198352547.db2.gz LWKNJWHOSVVAGN-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086400583 1198355531 /nfs/dbraw/zinc/35/55/31/1198355531.db2.gz NKLGFJNEWBLPFD-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086400583 1198355536 /nfs/dbraw/zinc/35/55/36/1198355536.db2.gz NKLGFJNEWBLPFD-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCC2 ZINC001169096909 1199046289 /nfs/dbraw/zinc/04/62/89/1199046289.db2.gz ZRFLDYCMQBLTLW-WCXIOVBPSA-N 2 1 361.490 0.800 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCC2 ZINC001169096909 1199046294 /nfs/dbraw/zinc/04/62/94/1199046294.db2.gz ZRFLDYCMQBLTLW-WCXIOVBPSA-N 2 1 361.490 0.800 20 0 FCADMP Cc1cn([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169115615 1199049919 /nfs/dbraw/zinc/04/99/19/1199049919.db2.gz LPBBUWXPSWXHFR-VNAATALASA-N 2 1 364.446 0.121 20 0 FCADMP C[C@]([NH3+])(CO)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723757 1224577399 /nfs/dbraw/zinc/57/73/99/1224577399.db2.gz RTZAXRPQLUOUIS-MJGOQNOKSA-N 3 1 360.502 0.314 20 0 FCADMP [NH3+][C@@H]1COC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729195 1224581680 /nfs/dbraw/zinc/58/16/80/1224581680.db2.gz QFCOMLYFXGPBAP-CEXWTWQISA-N 3 1 372.513 0.578 20 0 FCADMP [NH3+]CCNCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728577 1224581852 /nfs/dbraw/zinc/58/18/52/1224581852.db2.gz BEGMSMGZNAXSLE-GOSISDBHSA-N 3 1 359.518 0.153 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767945895 1200042635 /nfs/dbraw/zinc/04/26/35/1200042635.db2.gz UQROYNSTPZXHSP-BDXSIMOUSA-N 2 1 366.506 0.527 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109304397 1200160985 /nfs/dbraw/zinc/16/09/85/1200160985.db2.gz ZHDCDJBNSIDGKW-XABWRGDLSA-N 2 1 366.506 0.201 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304397 1200160988 /nfs/dbraw/zinc/16/09/88/1200160988.db2.gz ZHDCDJBNSIDGKW-XABWRGDLSA-N 2 1 366.506 0.201 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304397 1200160997 /nfs/dbraw/zinc/16/09/97/1200160997.db2.gz ZHDCDJBNSIDGKW-XABWRGDLSA-N 2 1 366.506 0.201 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)Cn2cccn2)CCC1 ZINC001109401847 1200249413 /nfs/dbraw/zinc/24/94/13/1200249413.db2.gz FODKPYUSGMADSJ-NCOADZHNSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cn2cccn2)CCC1 ZINC001109401848 1200250555 /nfs/dbraw/zinc/25/05/55/1200250555.db2.gz FODKPYUSGMADSJ-QZWWFDLISA-N 2 1 361.490 0.450 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001109408695 1200255710 /nfs/dbraw/zinc/25/57/10/1200255710.db2.gz WXHZNUIPGLABBM-BDXSIMOUSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001109408695 1200255718 /nfs/dbraw/zinc/25/57/18/1200255718.db2.gz WXHZNUIPGLABBM-BDXSIMOUSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)C1CCC1 ZINC001109408695 1200255726 /nfs/dbraw/zinc/25/57/26/1200255726.db2.gz WXHZNUIPGLABBM-BDXSIMOUSA-N 2 1 361.490 0.450 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219794370 1224615643 /nfs/dbraw/zinc/61/56/43/1224615643.db2.gz YCDJZZIBPSDIHI-OXQOHEQNSA-N 2 1 364.534 0.868 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794545 1224616060 /nfs/dbraw/zinc/61/60/60/1224616060.db2.gz DNBZFSUGCMJPBV-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794545 1224616064 /nfs/dbraw/zinc/61/60/64/1224616064.db2.gz DNBZFSUGCMJPBV-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794545 1224616069 /nfs/dbraw/zinc/61/60/69/1224616069.db2.gz DNBZFSUGCMJPBV-KURKYZTESA-N 2 1 369.506 0.218 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001219796839 1224617459 /nfs/dbraw/zinc/61/74/59/1224617459.db2.gz SNJIIDCVCPEFTK-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001219796839 1224617460 /nfs/dbraw/zinc/61/74/60/1224617460.db2.gz SNJIIDCVCPEFTK-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001219796839 1224617462 /nfs/dbraw/zinc/61/74/62/1224617462.db2.gz SNJIIDCVCPEFTK-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001219796839 1224617466 /nfs/dbraw/zinc/61/74/66/1224617466.db2.gz SNJIIDCVCPEFTK-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902402 1200600167 /nfs/dbraw/zinc/60/01/67/1200600167.db2.gz GXWRUEMOGBWUAZ-JLSDUUJJSA-N 2 1 361.490 0.752 20 0 FCADMP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902402 1200600170 /nfs/dbraw/zinc/60/01/70/1200600170.db2.gz GXWRUEMOGBWUAZ-JLSDUUJJSA-N 2 1 361.490 0.752 20 0 FCADMP [NH3+]C1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC001219801353 1224621325 /nfs/dbraw/zinc/62/13/25/1224621325.db2.gz YFOXNAOYICYNHB-SFHVURJKSA-N 2 1 372.513 0.865 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109927133 1200616115 /nfs/dbraw/zinc/61/61/15/1200616115.db2.gz WOBUJSCKRFRKKG-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109927133 1200616121 /nfs/dbraw/zinc/61/61/21/1200616121.db2.gz WOBUJSCKRFRKKG-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109927133 1200616127 /nfs/dbraw/zinc/61/61/27/1200616127.db2.gz WOBUJSCKRFRKKG-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109927133 1200616132 /nfs/dbraw/zinc/61/61/32/1200616132.db2.gz WOBUJSCKRFRKKG-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000771804121 1200650306 /nfs/dbraw/zinc/65/03/06/1200650306.db2.gz BYVCAQFEGMWJEL-BEFAXECRSA-N 2 1 361.486 0.884 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(CO)cc1 ZINC001109977667 1200660081 /nfs/dbraw/zinc/66/00/81/1200660081.db2.gz UGEHHJYYNYDHHJ-QYZOEREBSA-N 2 1 361.486 0.979 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)C1CC1 ZINC001219805859 1224625689 /nfs/dbraw/zinc/62/56/89/1224625689.db2.gz ULGJGNWMNNYKQH-FGTMMUONSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)C1CC1 ZINC001219805859 1224625690 /nfs/dbraw/zinc/62/56/90/1224625690.db2.gz ULGJGNWMNNYKQH-FGTMMUONSA-N 2 1 365.449 0.706 20 0 FCADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545891 1200767878 /nfs/dbraw/zinc/76/78/78/1200767878.db2.gz JPNNKJCIJAJWPI-LPHOPBHVSA-N 2 1 366.506 0.015 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112578917 1200817283 /nfs/dbraw/zinc/81/72/83/1200817283.db2.gz NCUCEBBJOWQTIC-KXBFYZLASA-N 2 1 359.474 0.688 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112586321 1200822781 /nfs/dbraw/zinc/82/27/81/1200822781.db2.gz UFCZFCQVWANDHX-LPHOPBHVSA-N 2 1 365.522 0.570 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787132440 1200866890 /nfs/dbraw/zinc/86/68/90/1200866890.db2.gz YXXOGVGEONCIOX-WBVHZDCISA-N 2 1 364.490 0.099 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787132439 1200866928 /nfs/dbraw/zinc/86/69/28/1200866928.db2.gz YXXOGVGEONCIOX-RDJZCZTQSA-N 2 1 364.490 0.099 20 0 FCADMP O=C1O[C@]2(CN1C[NH+]1CCC(Cn3cncn3)CC1)C[NH+]1CCC2CC1 ZINC000790386790 1201071770 /nfs/dbraw/zinc/07/17/70/1201071770.db2.gz PKTYNHBUNATQKQ-SFHVURJKSA-N 2 1 360.462 0.864 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2c2ccccc2)cn1 ZINC001086614180 1201236529 /nfs/dbraw/zinc/23/65/29/1201236529.db2.gz ISUFCTPCYRPGCZ-RBUKOAKNSA-N 2 1 371.485 0.635 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000793721451 1201255997 /nfs/dbraw/zinc/25/59/97/1201255997.db2.gz JPRWVWQWKHDFRC-MRXNPFEDSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000793698385 1201257555 /nfs/dbraw/zinc/25/75/55/1201257555.db2.gz JZIJYXWTHQJAHE-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000793846173 1201267910 /nfs/dbraw/zinc/26/79/10/1201267910.db2.gz STDXPKWBKYXFSQ-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000793846173 1201267912 /nfs/dbraw/zinc/26/79/12/1201267912.db2.gz STDXPKWBKYXFSQ-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412268 1201300907 /nfs/dbraw/zinc/30/09/07/1201300907.db2.gz OQGUXRKTHDVWDE-BMFZPTHFSA-N 2 1 361.450 0.021 20 0 FCADMP CO[C@H](C)CN1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412268 1201300914 /nfs/dbraw/zinc/30/09/14/1201300914.db2.gz OQGUXRKTHDVWDE-BMFZPTHFSA-N 2 1 361.450 0.021 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129400335 1201305777 /nfs/dbraw/zinc/30/57/77/1201305777.db2.gz IJRCGJAPRVAHJS-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129400335 1201305785 /nfs/dbraw/zinc/30/57/85/1201305785.db2.gz IJRCGJAPRVAHJS-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129400335 1201305789 /nfs/dbraw/zinc/30/57/89/1201305789.db2.gz IJRCGJAPRVAHJS-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454178 1201312093 /nfs/dbraw/zinc/31/20/93/1201312093.db2.gz ZSXUFLPGNSRMDW-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001219877499 1224668816 /nfs/dbraw/zinc/66/88/16/1224668816.db2.gz IQZFSJPFGUTWNH-MSOLQXFVSA-N 2 1 361.486 0.706 20 0 FCADMP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685958 1201370816 /nfs/dbraw/zinc/37/08/16/1201370816.db2.gz VNKZLFIHIHRANP-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717397 1201377115 /nfs/dbraw/zinc/37/71/15/1201377115.db2.gz JXMVHRKWWHFXKG-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717397 1201377121 /nfs/dbraw/zinc/37/71/21/1201377121.db2.gz JXMVHRKWWHFXKG-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129717649 1201377167 /nfs/dbraw/zinc/37/71/67/1201377167.db2.gz OBTNLENLVWLQBV-OWCLPIDISA-N 2 1 368.457 0.090 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129717649 1201377171 /nfs/dbraw/zinc/37/71/71/1201377171.db2.gz OBTNLENLVWLQBV-OWCLPIDISA-N 2 1 368.457 0.090 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625370 1201394100 /nfs/dbraw/zinc/39/41/00/1201394100.db2.gz WTPCDTUHYKQWHT-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625370 1201394103 /nfs/dbraw/zinc/39/41/03/1201394103.db2.gz WTPCDTUHYKQWHT-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625370 1201394107 /nfs/dbraw/zinc/39/41/07/1201394107.db2.gz WTPCDTUHYKQWHT-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625370 1201394113 /nfs/dbraw/zinc/39/41/13/1201394113.db2.gz WTPCDTUHYKQWHT-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892133 1201416365 /nfs/dbraw/zinc/41/63/65/1201416365.db2.gz JOGJRIFCGJPVSF-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129892296 1201416412 /nfs/dbraw/zinc/41/64/12/1201416412.db2.gz QDFGBQIFPIZTHL-KFWWJZLASA-N 2 1 361.425 0.753 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129919609 1201441746 /nfs/dbraw/zinc/44/17/46/1201441746.db2.gz ZYFXHIDIYGWPCD-SJORKVTESA-N 2 1 371.489 0.945 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129919609 1201441748 /nfs/dbraw/zinc/44/17/48/1201441748.db2.gz ZYFXHIDIYGWPCD-SJORKVTESA-N 2 1 371.489 0.945 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014447 1201471995 /nfs/dbraw/zinc/47/19/95/1201471995.db2.gz MWMFHVHGUZVCAD-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130030781 1201480734 /nfs/dbraw/zinc/48/07/34/1201480734.db2.gz QWBHHTAAZRWWLR-IKGGRYGDSA-N 2 1 364.494 0.265 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130081654 1201492991 /nfs/dbraw/zinc/49/29/91/1201492991.db2.gz ZOVDLQVHRXITEV-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001130079507 1201496102 /nfs/dbraw/zinc/49/61/02/1201496102.db2.gz NGOWQZNNQLOZKY-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130096501 1201499043 /nfs/dbraw/zinc/49/90/43/1201499043.db2.gz ITLMFRCDNZYUBQ-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCC2CCCCC2)O1 ZINC001130180524 1201525314 /nfs/dbraw/zinc/52/53/14/1201525314.db2.gz REYNNYHHDNIXIB-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCCC2CCCCC2)O1 ZINC001130180524 1201525319 /nfs/dbraw/zinc/52/53/19/1201525319.db2.gz REYNNYHHDNIXIB-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(Cc3ccccc3)c2)O1 ZINC001130182684 1201534963 /nfs/dbraw/zinc/53/49/63/1201534963.db2.gz SYKOTCLWXHYJHJ-VQIMIIECSA-N 2 1 371.485 0.856 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(Cc3ccccc3)c2)O1 ZINC001130182684 1201534969 /nfs/dbraw/zinc/53/49/69/1201534969.db2.gz SYKOTCLWXHYJHJ-VQIMIIECSA-N 2 1 371.485 0.856 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC2CCCCC2)O1 ZINC001130184135 1201536376 /nfs/dbraw/zinc/53/63/76/1201536376.db2.gz BWMZHSGKLNHVRV-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC2CCCCC2)O1 ZINC001130184135 1201536378 /nfs/dbraw/zinc/53/63/78/1201536378.db2.gz BWMZHSGKLNHVRV-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001130212749 1201545441 /nfs/dbraw/zinc/54/54/41/1201545441.db2.gz AUUIBONNNJEISM-KBXIAJHMSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001130212749 1201545444 /nfs/dbraw/zinc/54/54/44/1201545444.db2.gz AUUIBONNNJEISM-KBXIAJHMSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001130212749 1201545446 /nfs/dbraw/zinc/54/54/46/1201545446.db2.gz AUUIBONNNJEISM-KBXIAJHMSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001130212749 1201545451 /nfs/dbraw/zinc/54/54/51/1201545451.db2.gz AUUIBONNNJEISM-KBXIAJHMSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001130212749 1201545453 /nfs/dbraw/zinc/54/54/53/1201545453.db2.gz AUUIBONNNJEISM-KBXIAJHMSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001130220567 1201545891 /nfs/dbraw/zinc/54/58/91/1201545891.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001130220567 1201545894 /nfs/dbraw/zinc/54/58/94/1201545894.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001130220567 1201545897 /nfs/dbraw/zinc/54/58/97/1201545897.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 2 1 364.494 0.777 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130232167 1201556627 /nfs/dbraw/zinc/55/66/27/1201556627.db2.gz BASKQYUOJCZQQZ-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130232167 1201556628 /nfs/dbraw/zinc/55/66/28/1201556628.db2.gz BASKQYUOJCZQQZ-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP C[NH+](C)CC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC1 ZINC001130232644 1201558549 /nfs/dbraw/zinc/55/85/49/1201558549.db2.gz MPGVQKAUBVZZSL-STQMWFEESA-N 2 1 368.457 0.194 20 0 FCADMP C[NH+](C)CC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC1 ZINC001130232644 1201558552 /nfs/dbraw/zinc/55/85/52/1201558552.db2.gz MPGVQKAUBVZZSL-STQMWFEESA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001219922880 1224682540 /nfs/dbraw/zinc/68/25/40/1224682540.db2.gz MIMOHOZQCQHYQJ-CVEARBPZSA-N 2 1 364.494 0.092 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001219922880 1224682546 /nfs/dbraw/zinc/68/25/46/1224682546.db2.gz MIMOHOZQCQHYQJ-CVEARBPZSA-N 2 1 364.494 0.092 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219922880 1224682548 /nfs/dbraw/zinc/68/25/48/1224682548.db2.gz MIMOHOZQCQHYQJ-CVEARBPZSA-N 2 1 364.494 0.092 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219922880 1224682553 /nfs/dbraw/zinc/68/25/53/1224682553.db2.gz MIMOHOZQCQHYQJ-CVEARBPZSA-N 2 1 364.494 0.092 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219934776 1224689971 /nfs/dbraw/zinc/68/99/71/1224689971.db2.gz MKAZUTYKALORGV-ROUUACIJSA-N 2 1 369.469 0.787 20 0 FCADMP CC(C)[C@@](C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022183 1224729661 /nfs/dbraw/zinc/72/96/61/1224729661.db2.gz BABXZRAQFAXNRM-VQIMIIECSA-N 2 1 358.486 0.724 20 0 FCADMP CC(C)[C@@](C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022183 1224729665 /nfs/dbraw/zinc/72/96/65/1224729665.db2.gz BABXZRAQFAXNRM-VQIMIIECSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001130652054 1202742500 /nfs/dbraw/zinc/74/25/00/1202742500.db2.gz CZKYRDXGJYHKAN-NBOOPKSLSA-N 2 1 363.506 0.417 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726161 1202767602 /nfs/dbraw/zinc/76/76/02/1202767602.db2.gz NODVTZGGYHPDEF-JLJPHGGASA-N 2 1 360.462 0.544 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)C1CCCCC1 ZINC001220070471 1224744442 /nfs/dbraw/zinc/74/44/42/1224744442.db2.gz QVWDAIYBSMCJFJ-MSOLQXFVSA-N 2 1 363.506 0.699 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)C1CCCCC1 ZINC001220070471 1224744445 /nfs/dbraw/zinc/74/44/45/1224744445.db2.gz QVWDAIYBSMCJFJ-MSOLQXFVSA-N 2 1 363.506 0.699 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C1CCCCC1 ZINC001220070471 1224744452 /nfs/dbraw/zinc/74/44/52/1224744452.db2.gz QVWDAIYBSMCJFJ-MSOLQXFVSA-N 2 1 363.506 0.699 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1 ZINC001130813375 1202805735 /nfs/dbraw/zinc/80/57/35/1202805735.db2.gz NGIWQXMDWINWDU-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130813375 1202805736 /nfs/dbraw/zinc/80/57/36/1202805736.db2.gz NGIWQXMDWINWDU-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130813375 1202805739 /nfs/dbraw/zinc/80/57/39/1202805739.db2.gz NGIWQXMDWINWDU-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070298 1202856114 /nfs/dbraw/zinc/85/61/14/1202856114.db2.gz OHGMXNUHOMKRQF-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108072 1202864099 /nfs/dbraw/zinc/86/40/99/1202864099.db2.gz IJWGLXJCKISWFU-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121352 1202866007 /nfs/dbraw/zinc/86/60/07/1202866007.db2.gz UHNJXAWEYWRGNO-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001086659184 1202872211 /nfs/dbraw/zinc/87/22/11/1202872211.db2.gz NDADZYVCGZHHJK-ZNMIVQPWSA-N 2 1 365.478 0.727 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001086659184 1202872212 /nfs/dbraw/zinc/87/22/12/1202872212.db2.gz NDADZYVCGZHHJK-ZNMIVQPWSA-N 2 1 365.478 0.727 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552166 1202881656 /nfs/dbraw/zinc/88/16/56/1202881656.db2.gz QRCPIHYDRLZVNW-WCXIOVBPSA-N 2 1 367.490 0.439 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552166 1202881658 /nfs/dbraw/zinc/88/16/58/1202881658.db2.gz QRCPIHYDRLZVNW-WCXIOVBPSA-N 2 1 367.490 0.439 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001170552166 1202881659 /nfs/dbraw/zinc/88/16/59/1202881659.db2.gz QRCPIHYDRLZVNW-WCXIOVBPSA-N 2 1 367.490 0.439 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131316070 1202885185 /nfs/dbraw/zinc/88/51/85/1202885185.db2.gz AMFSICFLJWHHTK-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131316070 1202885187 /nfs/dbraw/zinc/88/51/87/1202885187.db2.gz AMFSICFLJWHHTK-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131500056 1202903979 /nfs/dbraw/zinc/90/39/79/1202903979.db2.gz HIQAKSAKKHGQLV-IIVZCXTMSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086700110 1202974634 /nfs/dbraw/zinc/97/46/34/1202974634.db2.gz XRVNAUWVAZMMQK-QKPAOTATSA-N 2 1 363.510 0.969 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)[C@@H](c2ccccc2)C1 ZINC001134126232 1203015343 /nfs/dbraw/zinc/01/53/43/1203015343.db2.gz GNHDATAZCSTHLZ-MSOLQXFVSA-N 2 1 358.486 0.660 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731251 1203051873 /nfs/dbraw/zinc/05/18/73/1203051873.db2.gz CVNCTEHOMQRGQX-NOVWEMISSA-N 2 1 361.490 0.879 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731251 1203051875 /nfs/dbraw/zinc/05/18/75/1203051875.db2.gz CVNCTEHOMQRGQX-NOVWEMISSA-N 2 1 361.490 0.879 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)[nH]1 ZINC001086785300 1203092122 /nfs/dbraw/zinc/09/21/22/1203092122.db2.gz SBNAFVAMPPSLDD-XHSDSOJGSA-N 2 1 364.494 0.597 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086784979 1203092322 /nfs/dbraw/zinc/09/23/22/1203092322.db2.gz DORFKAMCEOLOJU-UXLLHSPISA-N 2 1 365.478 0.862 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cn(C)nn3)C1)CC2 ZINC001086788619 1203094375 /nfs/dbraw/zinc/09/43/75/1203094375.db2.gz WIYLMSZPELFRPD-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC001086802891 1203101214 /nfs/dbraw/zinc/10/12/14/1203101214.db2.gz FYPMIVBVUKYLQW-YESZJQIVSA-N 2 1 371.489 0.920 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@@H]1Cc1ccccc1 ZINC000817993309 1203132058 /nfs/dbraw/zinc/13/20/58/1203132058.db2.gz FGNHFZNEEKEVDP-GHTZIAJQSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@@H]1Cc1ccccc1 ZINC000817993309 1203132060 /nfs/dbraw/zinc/13/20/60/1203132060.db2.gz FGNHFZNEEKEVDP-GHTZIAJQSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@H]1Cc1ccccc1 ZINC000817993312 1203132105 /nfs/dbraw/zinc/13/21/05/1203132105.db2.gz FGNHFZNEEKEVDP-WIYYLYMNSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@H]1Cc1ccccc1 ZINC000817993312 1203132106 /nfs/dbraw/zinc/13/21/06/1203132106.db2.gz FGNHFZNEEKEVDP-WIYYLYMNSA-N 2 1 370.497 0.726 20 0 FCADMP CN(C)c1ccc(NC(=O)CC[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000819060415 1203149050 /nfs/dbraw/zinc/14/90/50/1203149050.db2.gz HWIYUADQURMSKY-UHFFFAOYSA-N 2 1 361.490 0.835 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C ZINC001110104454 1203218030 /nfs/dbraw/zinc/21/80/30/1203218030.db2.gz XDEUKDNJUJEJOQ-BDXSIMOUSA-N 2 1 364.490 0.947 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(C)C ZINC001110104454 1203218033 /nfs/dbraw/zinc/21/80/33/1203218033.db2.gz XDEUKDNJUJEJOQ-BDXSIMOUSA-N 2 1 364.490 0.947 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885617 1203331719 /nfs/dbraw/zinc/33/17/19/1203331719.db2.gz YTCIBYSWKJSTPT-BHYGNILZSA-N 2 1 360.458 0.016 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)CC1 ZINC001220227154 1224809480 /nfs/dbraw/zinc/80/94/80/1224809480.db2.gz JUSUYAOKITUWPL-CVEARBPZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)CC1 ZINC001220227154 1224809481 /nfs/dbraw/zinc/80/94/81/1224809481.db2.gz JUSUYAOKITUWPL-CVEARBPZSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220254510 1224815409 /nfs/dbraw/zinc/81/54/09/1224815409.db2.gz RWOKUPYNCKSUJD-QAPCUYQASA-N 2 1 371.485 0.754 20 0 FCADMP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220310431 1224825615 /nfs/dbraw/zinc/82/56/15/1224825615.db2.gz AKBIPBJTSZLDAI-OAHLLOKOSA-N 3 1 360.506 0.457 20 0 FCADMP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220310430 1224825286 /nfs/dbraw/zinc/82/52/86/1224825286.db2.gz AKBIPBJTSZLDAI-HNNXBMFYSA-N 3 1 360.506 0.457 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091115040 1204523173 /nfs/dbraw/zinc/52/31/73/1204523173.db2.gz XCCCWGIPNKEJQF-SJORKVTESA-N 2 1 361.490 0.889 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[NH+](CC)CC ZINC001220344568 1224835390 /nfs/dbraw/zinc/83/53/90/1224835390.db2.gz CISZNXBZQIEQAI-QYZOEREBSA-N 2 1 363.502 0.961 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[NH+](CC)CC ZINC001220344568 1224835392 /nfs/dbraw/zinc/83/53/92/1224835392.db2.gz CISZNXBZQIEQAI-QYZOEREBSA-N 2 1 363.502 0.961 20 0 FCADMP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000845845401 1204553314 /nfs/dbraw/zinc/55/33/14/1204553314.db2.gz OERLLSRWHRGFRF-KKUMJFAQSA-N 2 1 372.510 0.667 20 0 FCADMP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000845845401 1204553319 /nfs/dbraw/zinc/55/33/19/1204553319.db2.gz OERLLSRWHRGFRF-KKUMJFAQSA-N 2 1 372.510 0.667 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091543944 1204709150 /nfs/dbraw/zinc/70/91/50/1204709150.db2.gz RGRYKCYOPPFZSF-AOIWGVFYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543944 1204709157 /nfs/dbraw/zinc/70/91/57/1204709157.db2.gz RGRYKCYOPPFZSF-AOIWGVFYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543944 1204709167 /nfs/dbraw/zinc/70/91/67/1204709167.db2.gz RGRYKCYOPPFZSF-AOIWGVFYSA-N 2 1 360.506 0.769 20 0 FCADMP COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220373441 1224847348 /nfs/dbraw/zinc/84/73/48/1224847348.db2.gz NOKLEQNUGJWBNB-AWEZNQCLSA-N 2 1 369.425 0.856 20 0 FCADMP COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220373441 1224847353 /nfs/dbraw/zinc/84/73/53/1224847353.db2.gz NOKLEQNUGJWBNB-AWEZNQCLSA-N 2 1 369.425 0.856 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716838 1204831947 /nfs/dbraw/zinc/83/19/47/1204831947.db2.gz WSMLRTCSIAQZSC-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716838 1204831948 /nfs/dbraw/zinc/83/19/48/1204831948.db2.gz WSMLRTCSIAQZSC-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091716838 1204831949 /nfs/dbraw/zinc/83/19/49/1204831949.db2.gz WSMLRTCSIAQZSC-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735102 1204836160 /nfs/dbraw/zinc/83/61/60/1204836160.db2.gz JQXZEWCDEGIBLM-QAPCUYQASA-N 2 1 363.506 0.276 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091737050 1204837614 /nfs/dbraw/zinc/83/76/14/1204837614.db2.gz BBDFMDXRRAUENM-QINHECLXSA-N 2 1 371.485 0.773 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091737050 1204837616 /nfs/dbraw/zinc/83/76/16/1204837616.db2.gz BBDFMDXRRAUENM-QINHECLXSA-N 2 1 371.485 0.773 20 0 FCADMP C[C@@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742701 1204839036 /nfs/dbraw/zinc/83/90/36/1204839036.db2.gz FXONDPVASZTXAE-IYOUNJFTSA-N 2 1 361.494 0.536 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001086879922 1204855835 /nfs/dbraw/zinc/85/58/35/1204855835.db2.gz FBVZCEHWWVWYPT-ZMSDIMECSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001086879922 1204855836 /nfs/dbraw/zinc/85/58/36/1204855836.db2.gz FBVZCEHWWVWYPT-ZMSDIMECSA-N 2 1 364.494 0.393 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086880309 1204856170 /nfs/dbraw/zinc/85/61/70/1204856170.db2.gz SMYVMAPYGCNNIV-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086880309 1204856172 /nfs/dbraw/zinc/85/61/72/1204856172.db2.gz SMYVMAPYGCNNIV-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086875330 1204858476 /nfs/dbraw/zinc/85/84/76/1204858476.db2.gz OITRKQAGTVTICN-RRFJBIMHSA-N 2 1 362.478 0.135 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)C1 ZINC001086875370 1204858560 /nfs/dbraw/zinc/85/85/60/1204858560.db2.gz PUMWJTZZPLWCHU-HRCADAONSA-N 2 1 360.506 0.941 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001086970268 1204869281 /nfs/dbraw/zinc/86/92/81/1204869281.db2.gz IDQDSFUYLYHYCC-BBWFWOEESA-N 2 1 358.446 0.587 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001086970268 1204869282 /nfs/dbraw/zinc/86/92/82/1204869282.db2.gz IDQDSFUYLYHYCC-BBWFWOEESA-N 2 1 358.446 0.587 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087035347 1204911349 /nfs/dbraw/zinc/91/13/49/1204911349.db2.gz XCGXUQWUXSMRND-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087035061 1204911421 /nfs/dbraw/zinc/91/14/21/1204911421.db2.gz JXSXAZOASYQCNS-FVQBIDKESA-N 2 1 366.462 0.731 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087034330 1204924249 /nfs/dbraw/zinc/92/42/49/1204924249.db2.gz ALBUIBGSLHRMEJ-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087055541 1204935435 /nfs/dbraw/zinc/93/54/35/1204935435.db2.gz SFBDRBWMHFJGEG-KCYZZUKISA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087059660 1204943915 /nfs/dbraw/zinc/94/39/15/1204943915.db2.gz ORSWHVOVBDKOEG-INMHGKMJSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087060518 1204946029 /nfs/dbraw/zinc/94/60/29/1204946029.db2.gz KMSIZQCMWFXEIU-DJIMGWMZSA-N 2 1 365.478 0.897 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087063223 1204950869 /nfs/dbraw/zinc/95/08/69/1204950869.db2.gz OAKPFELPUPNCSV-KZNAEPCWSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083556 1204971378 /nfs/dbraw/zinc/97/13/78/1204971378.db2.gz KQEZYBBFCKWTFR-CGTJXYLNSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087096208 1205003830 /nfs/dbraw/zinc/00/38/30/1205003830.db2.gz CMDBROYBMTWTHA-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087096522 1205004698 /nfs/dbraw/zinc/00/46/98/1205004698.db2.gz QLJLTGHAJQGDSC-GVDBMIGSSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)O1 ZINC001091782744 1205027060 /nfs/dbraw/zinc/02/70/60/1205027060.db2.gz BXUDQQXQWWGPFV-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)O1 ZINC001091782744 1205027066 /nfs/dbraw/zinc/02/70/66/1205027066.db2.gz BXUDQQXQWWGPFV-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)O1 ZINC001091782744 1205027070 /nfs/dbraw/zinc/02/70/70/1205027070.db2.gz BXUDQQXQWWGPFV-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@@]3(C)C2)O1 ZINC001091782744 1205027073 /nfs/dbraw/zinc/02/70/73/1205027073.db2.gz BXUDQQXQWWGPFV-UIXUWTQFSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091818424 1205041472 /nfs/dbraw/zinc/04/14/72/1205041472.db2.gz GIKOPDKJAYPVGV-APWZRJJASA-N 2 1 360.502 0.627 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959608 1205092892 /nfs/dbraw/zinc/09/28/92/1205092892.db2.gz CBPCZESCKZCSLK-MUKKUYKPSA-N 2 1 362.474 0.870 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001091975116 1205105988 /nfs/dbraw/zinc/10/59/88/1205105988.db2.gz GHVGJDJHGFNLSX-APWZRJJASA-N 2 1 363.506 0.134 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220428899 1224869477 /nfs/dbraw/zinc/86/94/77/1224869477.db2.gz HGKDOWDKYBUSPL-ZSYWTGECSA-N 2 1 358.486 0.867 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092088319 1205139078 /nfs/dbraw/zinc/13/90/78/1205139078.db2.gz BNQVAXSUMWEFQB-SUMDDJOVSA-N 2 1 363.506 0.874 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC001092101444 1205157868 /nfs/dbraw/zinc/15/78/68/1205157868.db2.gz DWMOJTBADSCYNJ-GGPKGHCWSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC001092101444 1205157873 /nfs/dbraw/zinc/15/78/73/1205157873.db2.gz DWMOJTBADSCYNJ-GGPKGHCWSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001092203436 1205197931 /nfs/dbraw/zinc/19/79/31/1205197931.db2.gz PVOBBJRQAVPKNR-APWZRJJASA-N 2 1 360.502 0.485 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092276627 1205223611 /nfs/dbraw/zinc/22/36/11/1205223611.db2.gz XHGJQQCFWUEXRX-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092276627 1205223614 /nfs/dbraw/zinc/22/36/14/1205223614.db2.gz XHGJQQCFWUEXRX-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301501 1205234712 /nfs/dbraw/zinc/23/47/12/1205234712.db2.gz KXEDZFZTDPDLNS-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301501 1205234715 /nfs/dbraw/zinc/23/47/15/1205234715.db2.gz KXEDZFZTDPDLNS-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301501 1205234718 /nfs/dbraw/zinc/23/47/18/1205234718.db2.gz KXEDZFZTDPDLNS-AOIWGVFYSA-N 2 1 360.506 0.933 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092521902 1205302531 /nfs/dbraw/zinc/30/25/31/1205302531.db2.gz GXCFFXZETFRIDH-BMFZPTHFSA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092521902 1205302532 /nfs/dbraw/zinc/30/25/32/1205302532.db2.gz GXCFFXZETFRIDH-BMFZPTHFSA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092521902 1205302534 /nfs/dbraw/zinc/30/25/34/1205302534.db2.gz GXCFFXZETFRIDH-BMFZPTHFSA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092521902 1205302536 /nfs/dbraw/zinc/30/25/36/1205302536.db2.gz GXCFFXZETFRIDH-BMFZPTHFSA-N 2 1 365.478 0.325 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611158 1205319966 /nfs/dbraw/zinc/31/99/66/1205319966.db2.gz LHSIHJKGZYDCIE-KBAYOESNSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918850 1205943791 /nfs/dbraw/zinc/94/37/91/1205943791.db2.gz OTDINZPUJXDWGD-UKRRQHHQSA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092919616 1205946057 /nfs/dbraw/zinc/94/60/57/1205946057.db2.gz UZFLLNPVQBUPPW-GDBMZVCRSA-N 2 1 360.462 0.931 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985534 1205972281 /nfs/dbraw/zinc/97/22/81/1205972281.db2.gz KJCVYRBBPXWHEQ-OWYHZJEWSA-N 2 1 372.513 0.762 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985534 1205972287 /nfs/dbraw/zinc/97/22/87/1205972287.db2.gz KJCVYRBBPXWHEQ-OWYHZJEWSA-N 2 1 372.513 0.762 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985534 1205972292 /nfs/dbraw/zinc/97/22/92/1205972292.db2.gz KJCVYRBBPXWHEQ-OWYHZJEWSA-N 2 1 372.513 0.762 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CC1 ZINC001220550063 1224922666 /nfs/dbraw/zinc/92/26/66/1224922666.db2.gz IDHRPYYBOOWCAV-SQNIBIBYSA-N 2 1 364.490 0.948 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CC1 ZINC001220550063 1224922670 /nfs/dbraw/zinc/92/26/70/1224922670.db2.gz IDHRPYYBOOWCAV-SQNIBIBYSA-N 2 1 364.490 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220550584 1224923397 /nfs/dbraw/zinc/92/33/97/1224923397.db2.gz ZQENLCKQVJLIEZ-ZACQAIPSSA-N 2 1 364.490 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220550584 1224923402 /nfs/dbraw/zinc/92/34/02/1224923402.db2.gz ZQENLCKQVJLIEZ-ZACQAIPSSA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133185 1206032722 /nfs/dbraw/zinc/03/27/22/1206032722.db2.gz VEMSHCSYIZWGTF-IAGOWNOFSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3[NH+](CC(N)=O)CC34CCC4)CC2)CC[N@H+]1C ZINC001093371475 1206077006 /nfs/dbraw/zinc/07/70/06/1206077006.db2.gz RKTZHEKMVLDTCY-QGPMSJSTSA-N 2 1 362.518 0.905 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3[N@H+](CC(N)=O)CC34CCC4)CC2)CC[NH+]1C ZINC001093371475 1206077007 /nfs/dbraw/zinc/07/70/07/1206077007.db2.gz RKTZHEKMVLDTCY-QGPMSJSTSA-N 2 1 362.518 0.905 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3[N@@H+](CC(N)=O)CC34CCC4)CC2)CC[NH+]1C ZINC001093371475 1206077008 /nfs/dbraw/zinc/07/70/08/1206077008.db2.gz RKTZHEKMVLDTCY-QGPMSJSTSA-N 2 1 362.518 0.905 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c(C)c1 ZINC001220553354 1224927380 /nfs/dbraw/zinc/92/73/80/1224927380.db2.gz FYTJRTPJQNJBQT-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c(C)c1 ZINC001220553354 1224927388 /nfs/dbraw/zinc/92/73/88/1224927388.db2.gz FYTJRTPJQNJBQT-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093806313 1206121481 /nfs/dbraw/zinc/12/14/81/1206121481.db2.gz WLVNKMSDCQEWCS-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093820790 1206123072 /nfs/dbraw/zinc/12/30/72/1206123072.db2.gz OAJDMRPCLQQAQG-BZUAXINKSA-N 2 1 363.510 0.372 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093820790 1206123075 /nfs/dbraw/zinc/12/30/75/1206123075.db2.gz OAJDMRPCLQQAQG-BZUAXINKSA-N 2 1 363.510 0.372 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093821696 1206123424 /nfs/dbraw/zinc/12/34/24/1206123424.db2.gz FMICKESSBLCCBZ-ZACQAIPSSA-N 2 1 371.489 0.488 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001093878932 1206140841 /nfs/dbraw/zinc/14/08/41/1206140841.db2.gz GBLAWQVHNHLZQS-ZIAGYGMSSA-N 2 1 360.462 0.968 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001093920974 1206149834 /nfs/dbraw/zinc/14/98/34/1206149834.db2.gz DWMGBDMFASSZAK-HYVNUMGLSA-N 2 1 361.490 0.792 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001094042209 1206174201 /nfs/dbraw/zinc/17/42/01/1206174201.db2.gz NYTPEECWBIBVGB-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110153928 1206189439 /nfs/dbraw/zinc/18/94/39/1206189439.db2.gz SLEJCCMQFHUGLM-IKGGRYGDSA-N 2 1 363.506 0.609 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094165241 1206197413 /nfs/dbraw/zinc/19/74/13/1206197413.db2.gz JCFNKGGLXMNXJG-KBAYOESNSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094220717 1206203403 /nfs/dbraw/zinc/20/34/03/1206203403.db2.gz PMFYPSRPYMBRKT-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001094234096 1206208691 /nfs/dbraw/zinc/20/86/91/1206208691.db2.gz KJZXNLOGINCEGL-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001094234096 1206208695 /nfs/dbraw/zinc/20/86/95/1206208695.db2.gz KJZXNLOGINCEGL-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CC(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749742 1206245344 /nfs/dbraw/zinc/24/53/44/1206245344.db2.gz RQOVXVWPBHMJDM-BFYDXBDKSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749742 1206245347 /nfs/dbraw/zinc/24/53/47/1206245347.db2.gz RQOVXVWPBHMJDM-BFYDXBDKSA-N 2 1 366.506 0.153 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CC1=O ZINC001172039706 1206255358 /nfs/dbraw/zinc/25/53/58/1206255358.db2.gz RLCPAZNNZFLIMB-QGZVFWFLSA-N 2 1 360.502 0.821 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1=O ZINC001172040218 1206255928 /nfs/dbraw/zinc/25/59/28/1206255928.db2.gz NRTVEWQDLOGZDZ-CYBMUJFWSA-N 2 1 363.462 0.335 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1=O ZINC001172040218 1206255930 /nfs/dbraw/zinc/25/59/30/1206255930.db2.gz NRTVEWQDLOGZDZ-CYBMUJFWSA-N 2 1 363.462 0.335 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@H]2C(=O)N(C)C ZINC001172132731 1206256674 /nfs/dbraw/zinc/25/66/74/1206256674.db2.gz NOHNROJBUAOISN-MLHJIOFPSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C[C@H]2C(=O)N(C)C ZINC001172132731 1206256679 /nfs/dbraw/zinc/25/66/79/1206256679.db2.gz NOHNROJBUAOISN-MLHJIOFPSA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@H]2C(=O)N(C)C ZINC001172132731 1206256683 /nfs/dbraw/zinc/25/66/83/1206256683.db2.gz NOHNROJBUAOISN-MLHJIOFPSA-N 2 1 362.518 0.870 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001172251235 1206260409 /nfs/dbraw/zinc/26/04/09/1206260409.db2.gz MTHWTCYCJWKMAX-MSOLQXFVSA-N 2 1 361.490 0.867 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001172251235 1206260412 /nfs/dbraw/zinc/26/04/12/1206260412.db2.gz MTHWTCYCJWKMAX-MSOLQXFVSA-N 2 1 361.490 0.867 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C[C@@H]1C(=O)OC ZINC001173576621 1206281992 /nfs/dbraw/zinc/28/19/92/1206281992.db2.gz JOTBSOVZKMAWIG-BTTYYORXSA-N 2 1 367.446 0.857 20 0 FCADMP CNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001177349062 1206337270 /nfs/dbraw/zinc/33/72/70/1206337270.db2.gz WRYAFXUFYCNDHE-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CNC(=O)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001177349062 1206337272 /nfs/dbraw/zinc/33/72/72/1206337272.db2.gz WRYAFXUFYCNDHE-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001178527393 1206359164 /nfs/dbraw/zinc/35/91/64/1206359164.db2.gz KSTRJNVQJXVJKY-SOUVJXGZSA-N 2 1 369.510 0.566 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCCCOC)[C@@H]2C)CC[N@H+]1C ZINC001178736110 1206364134 /nfs/dbraw/zinc/36/41/34/1206364134.db2.gz OMWLZSMKGBGZLS-LUKYLMHMSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+]1CCN(CC(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)CC1 ZINC001178951621 1206368607 /nfs/dbraw/zinc/36/86/07/1206368607.db2.gz DBPLHIWTOAKXLB-UHFFFAOYSA-N 2 1 368.485 0.962 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ncnn1C ZINC001181874755 1206416650 /nfs/dbraw/zinc/41/66/50/1206416650.db2.gz PPPXXMVRSBPRSJ-ATNYBXOESA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ncnn1C ZINC001181874755 1206416653 /nfs/dbraw/zinc/41/66/53/1206416653.db2.gz PPPXXMVRSBPRSJ-ATNYBXOESA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000774886833 1206481687 /nfs/dbraw/zinc/48/16/87/1206481687.db2.gz BEKDRLNEHGRTNV-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001186195962 1206494337 /nfs/dbraw/zinc/49/43/37/1206494337.db2.gz AMQKOXDWBGMCHN-NVXWUHKLSA-N 2 1 364.465 0.784 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001186195962 1206494339 /nfs/dbraw/zinc/49/43/39/1206494339.db2.gz AMQKOXDWBGMCHN-NVXWUHKLSA-N 2 1 364.465 0.784 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCCF)C3(C2)CCOCC3)O1 ZINC001186409758 1206496947 /nfs/dbraw/zinc/49/69/47/1206496947.db2.gz DAOHBUXDJUZXPX-BRWVUGGUSA-N 2 1 371.497 0.910 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCCF)C3(C2)CCOCC3)O1 ZINC001186409758 1206496949 /nfs/dbraw/zinc/49/69/49/1206496949.db2.gz DAOHBUXDJUZXPX-BRWVUGGUSA-N 2 1 371.497 0.910 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001188405975 1207454167 /nfs/dbraw/zinc/45/41/67/1207454167.db2.gz XFOHIKKADYHUGM-FUHWJXTLSA-N 2 1 362.474 0.450 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001188673221 1207475053 /nfs/dbraw/zinc/47/50/53/1207475053.db2.gz FUQZOJOWEQRKEO-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818473 1207483465 /nfs/dbraw/zinc/48/34/65/1207483465.db2.gz HFKHVPACFFZYLB-OKZBNKHCSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818473 1207483470 /nfs/dbraw/zinc/48/34/70/1207483470.db2.gz HFKHVPACFFZYLB-OKZBNKHCSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818473 1207483473 /nfs/dbraw/zinc/48/34/73/1207483473.db2.gz HFKHVPACFFZYLB-OKZBNKHCSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001188931558 1207488996 /nfs/dbraw/zinc/48/89/96/1207488996.db2.gz FFEDRNPTAZNULX-LEUOFYLZSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001188950129 1207491506 /nfs/dbraw/zinc/49/15/06/1207491506.db2.gz XVQKRNASQTVCRQ-LZLYRXPVSA-N 2 1 362.474 0.296 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001188950129 1207491512 /nfs/dbraw/zinc/49/15/12/1207491512.db2.gz XVQKRNASQTVCRQ-LZLYRXPVSA-N 2 1 362.474 0.296 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188971235 1207492830 /nfs/dbraw/zinc/49/28/30/1207492830.db2.gz RTLRISCGHQCPFP-HYVNUMGLSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001188971235 1207492836 /nfs/dbraw/zinc/49/28/36/1207492836.db2.gz RTLRISCGHQCPFP-HYVNUMGLSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001188970028 1207492869 /nfs/dbraw/zinc/49/28/69/1207492869.db2.gz FBMKCBMSNBDUOR-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001188970864 1207492974 /nfs/dbraw/zinc/49/29/74/1207492974.db2.gz OGDNWPUUONIVMN-YESZJQIVSA-N 2 1 361.490 0.119 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1=O ZINC001188962579 1207493352 /nfs/dbraw/zinc/49/33/52/1207493352.db2.gz DPRQYEOWXLDFAN-DLBZAZTESA-N 2 1 358.486 0.760 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018412 1207496457 /nfs/dbraw/zinc/49/64/57/1207496457.db2.gz OULSTUNTCJAELG-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018412 1207496466 /nfs/dbraw/zinc/49/64/66/1207496466.db2.gz OULSTUNTCJAELG-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026373 1207500356 /nfs/dbraw/zinc/50/03/56/1207500356.db2.gz LWQGAPDDJGSPQY-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026373 1207500362 /nfs/dbraw/zinc/50/03/62/1207500362.db2.gz LWQGAPDDJGSPQY-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026457 1207500701 /nfs/dbraw/zinc/50/07/01/1207500701.db2.gz OKPUSBPNCLTJLN-HLLBOEOZSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026457 1207500705 /nfs/dbraw/zinc/50/07/05/1207500705.db2.gz OKPUSBPNCLTJLN-HLLBOEOZSA-N 2 1 362.474 0.769 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](CC)CC ZINC001189110045 1207501673 /nfs/dbraw/zinc/50/16/73/1207501673.db2.gz LATWELPUZKQWCN-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](CC)CC ZINC001189110045 1207501677 /nfs/dbraw/zinc/50/16/77/1207501677.db2.gz LATWELPUZKQWCN-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167396 1207519180 /nfs/dbraw/zinc/51/91/80/1207519180.db2.gz LZBJAXJRRGPEEF-HZSPNIEDSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167396 1207519186 /nfs/dbraw/zinc/51/91/86/1207519186.db2.gz LZBJAXJRRGPEEF-HZSPNIEDSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167396 1207519189 /nfs/dbraw/zinc/51/91/89/1207519189.db2.gz LZBJAXJRRGPEEF-HZSPNIEDSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167396 1207519194 /nfs/dbraw/zinc/51/91/94/1207519194.db2.gz LZBJAXJRRGPEEF-HZSPNIEDSA-N 2 1 367.494 0.080 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317426 1207532317 /nfs/dbraw/zinc/53/23/17/1207532317.db2.gz PAFFLYWDKNCFEO-YESZJQIVSA-N 2 1 364.490 0.937 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317426 1207532323 /nfs/dbraw/zinc/53/23/23/1207532323.db2.gz PAFFLYWDKNCFEO-YESZJQIVSA-N 2 1 364.490 0.937 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189820166 1207606496 /nfs/dbraw/zinc/60/64/96/1207606496.db2.gz SYYCTMZWTIBTNO-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189820166 1207606501 /nfs/dbraw/zinc/60/65/01/1207606501.db2.gz SYYCTMZWTIBTNO-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189802336 1207610848 /nfs/dbraw/zinc/61/08/48/1207610848.db2.gz VDZLDPOODAKUMP-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189802336 1207610853 /nfs/dbraw/zinc/61/08/53/1207610853.db2.gz VDZLDPOODAKUMP-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178012 1207658438 /nfs/dbraw/zinc/65/84/38/1207658438.db2.gz UEMLIMTZTGMHCQ-OKZBNKHCSA-N 2 1 369.506 0.150 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178012 1207658444 /nfs/dbraw/zinc/65/84/44/1207658444.db2.gz UEMLIMTZTGMHCQ-OKZBNKHCSA-N 2 1 369.506 0.150 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001190248252 1207668127 /nfs/dbraw/zinc/66/81/27/1207668127.db2.gz ZKMRYIDCCBBMNC-OKZBNKHCSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCOCCNC(C)=O)C2)CC[NH+]1C ZINC001190248252 1207668129 /nfs/dbraw/zinc/66/81/29/1207668129.db2.gz ZKMRYIDCCBBMNC-OKZBNKHCSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001190262494 1207669783 /nfs/dbraw/zinc/66/97/83/1207669783.db2.gz DSYVSELPRFWUIJ-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001190262494 1207669788 /nfs/dbraw/zinc/66/97/88/1207669788.db2.gz DSYVSELPRFWUIJ-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1)NCC1CC1 ZINC001190324184 1207675884 /nfs/dbraw/zinc/67/58/84/1207675884.db2.gz HBWADKJSSABJDQ-ZWKOTPCHSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1)NCC1CC1 ZINC001190324184 1207675891 /nfs/dbraw/zinc/67/58/91/1207675891.db2.gz HBWADKJSSABJDQ-ZWKOTPCHSA-N 2 1 362.518 0.921 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351180 1207679601 /nfs/dbraw/zinc/67/96/01/1207679601.db2.gz SRIZLUHTQGTVRD-SOUVJXGZSA-N 2 1 367.494 0.094 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351180 1207679603 /nfs/dbraw/zinc/67/96/03/1207679603.db2.gz SRIZLUHTQGTVRD-SOUVJXGZSA-N 2 1 367.494 0.094 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351180 1207679604 /nfs/dbraw/zinc/67/96/04/1207679604.db2.gz SRIZLUHTQGTVRD-SOUVJXGZSA-N 2 1 367.494 0.094 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351180 1207679606 /nfs/dbraw/zinc/67/96/06/1207679606.db2.gz SRIZLUHTQGTVRD-SOUVJXGZSA-N 2 1 367.494 0.094 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487310 1207687953 /nfs/dbraw/zinc/68/79/53/1207687953.db2.gz WAKXXFORTNIUGE-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487310 1207687960 /nfs/dbraw/zinc/68/79/60/1207687960.db2.gz WAKXXFORTNIUGE-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487310 1207687965 /nfs/dbraw/zinc/68/79/65/1207687965.db2.gz WAKXXFORTNIUGE-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487310 1207687968 /nfs/dbraw/zinc/68/79/68/1207687968.db2.gz WAKXXFORTNIUGE-RCCFBDPRSA-N 2 1 356.470 0.540 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220688459 1225016620 /nfs/dbraw/zinc/01/66/20/1225016620.db2.gz HIARUNXJJAURIC-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220688459 1225016628 /nfs/dbraw/zinc/01/66/28/1225016628.db2.gz HIARUNXJJAURIC-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220688459 1225016637 /nfs/dbraw/zinc/01/66/37/1225016637.db2.gz HIARUNXJJAURIC-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)CCC1 ZINC001193773780 1207887830 /nfs/dbraw/zinc/88/78/30/1207887830.db2.gz CUVUHVNXOBDRBF-IAGOWNOFSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]2O)CCC1 ZINC001193774022 1207888000 /nfs/dbraw/zinc/88/80/00/1207888000.db2.gz FYGWGRXXIKWOBG-IXDOHACOSA-N 2 1 365.449 0.505 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791735 1207889366 /nfs/dbraw/zinc/88/93/66/1207889366.db2.gz QCUKHNRPQFAWBW-QRVBRYPASA-N 2 1 361.486 0.739 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828480 1207892316 /nfs/dbraw/zinc/89/23/16/1207892316.db2.gz QVOFRJYIMKESDH-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828480 1207892320 /nfs/dbraw/zinc/89/23/20/1207892320.db2.gz QVOFRJYIMKESDH-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828480 1207892321 /nfs/dbraw/zinc/89/23/21/1207892321.db2.gz QVOFRJYIMKESDH-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828480 1207892322 /nfs/dbraw/zinc/89/23/22/1207892322.db2.gz QVOFRJYIMKESDH-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243623 1207926588 /nfs/dbraw/zinc/92/65/88/1207926588.db2.gz AZWLTMQMPNZFOJ-KZNAEPCWSA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243623 1207926589 /nfs/dbraw/zinc/92/65/89/1207926589.db2.gz AZWLTMQMPNZFOJ-KZNAEPCWSA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243623 1207926590 /nfs/dbraw/zinc/92/65/90/1207926590.db2.gz AZWLTMQMPNZFOJ-KZNAEPCWSA-N 2 1 363.502 0.482 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724978 1225036409 /nfs/dbraw/zinc/03/64/09/1225036409.db2.gz KJEKUBMGDIHJOR-PKOBYXMFSA-N 2 1 372.513 0.545 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724978 1225036419 /nfs/dbraw/zinc/03/64/19/1225036419.db2.gz KJEKUBMGDIHJOR-PKOBYXMFSA-N 2 1 372.513 0.545 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724976 1225036679 /nfs/dbraw/zinc/03/66/79/1225036679.db2.gz KJEKUBMGDIHJOR-IEBWSBKVSA-N 2 1 372.513 0.545 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724976 1225036688 /nfs/dbraw/zinc/03/66/88/1225036688.db2.gz KJEKUBMGDIHJOR-IEBWSBKVSA-N 2 1 372.513 0.545 20 0 FCADMP Cc1cc[nH]c1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001195488378 1208020900 /nfs/dbraw/zinc/02/09/00/1208020900.db2.gz BLQGJHTWRQHHII-UHFFFAOYSA-N 2 1 361.490 0.634 20 0 FCADMP Cc1cc[nH]c1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001195488378 1208020902 /nfs/dbraw/zinc/02/09/02/1208020902.db2.gz BLQGJHTWRQHHII-UHFFFAOYSA-N 2 1 361.490 0.634 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)CC1 ZINC001195676758 1208032379 /nfs/dbraw/zinc/03/23/79/1208032379.db2.gz JUSUYAOKITUWPL-HZPDHXFCSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)CC1 ZINC001195676758 1208032382 /nfs/dbraw/zinc/03/23/82/1208032382.db2.gz JUSUYAOKITUWPL-HZPDHXFCSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001195676626 1208032433 /nfs/dbraw/zinc/03/24/33/1208032433.db2.gz GRGKRFBRYOTNSQ-QZTJIDSGSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001195676626 1208032436 /nfs/dbraw/zinc/03/24/36/1208032436.db2.gz GRGKRFBRYOTNSQ-QZTJIDSGSA-N 2 1 361.486 0.877 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419391 1208038240 /nfs/dbraw/zinc/03/82/40/1208038240.db2.gz ZIRJNVINSFAOMQ-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419391 1208038242 /nfs/dbraw/zinc/03/82/42/1208038242.db2.gz ZIRJNVINSFAOMQ-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000794419391 1208038243 /nfs/dbraw/zinc/03/82/43/1208038243.db2.gz ZIRJNVINSFAOMQ-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O)CC(C)(C)C ZINC001196207892 1208065821 /nfs/dbraw/zinc/06/58/21/1208065821.db2.gz WBRXYSSGYRUUJO-QZTJIDSGSA-N 2 1 363.502 0.818 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)CC(C)(C)C ZINC001196207892 1208065826 /nfs/dbraw/zinc/06/58/26/1208065826.db2.gz WBRXYSSGYRUUJO-QZTJIDSGSA-N 2 1 363.502 0.818 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)CC(C)(C)C ZINC001196207892 1208065830 /nfs/dbraw/zinc/06/58/30/1208065830.db2.gz WBRXYSSGYRUUJO-QZTJIDSGSA-N 2 1 363.502 0.818 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@H]1O)[NH+](C)C ZINC001196250730 1208069066 /nfs/dbraw/zinc/06/90/66/1208069066.db2.gz ATFONTYVTCEBBS-OWCLPIDISA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@H]1O)[NH+](C)C ZINC001196250730 1208069068 /nfs/dbraw/zinc/06/90/68/1208069068.db2.gz ATFONTYVTCEBBS-OWCLPIDISA-N 2 1 365.474 0.576 20 0 FCADMP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196799031 1208107197 /nfs/dbraw/zinc/10/71/97/1208107197.db2.gz YTDCXQAHPHIHPP-IKSUFZCESA-N 2 1 363.506 0.966 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001196939057 1208123131 /nfs/dbraw/zinc/12/31/31/1208123131.db2.gz FAKSEVQHFIRMBN-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001196939057 1208123132 /nfs/dbraw/zinc/12/31/32/1208123132.db2.gz FAKSEVQHFIRMBN-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001196953690 1208124952 /nfs/dbraw/zinc/12/49/52/1208124952.db2.gz HENFGPJXZGQXLS-QZTJIDSGSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1O ZINC001196953690 1208124955 /nfs/dbraw/zinc/12/49/55/1208124955.db2.gz HENFGPJXZGQXLS-QZTJIDSGSA-N 2 1 365.518 0.840 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001197320042 1208153378 /nfs/dbraw/zinc/15/33/78/1208153378.db2.gz UADPBSCEOOYWNU-XAWIXRBMSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001197294498 1208154240 /nfs/dbraw/zinc/15/42/40/1208154240.db2.gz AAMLFWJCXXBDAA-HYVNUMGLSA-N 2 1 369.473 0.768 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536285 1208171522 /nfs/dbraw/zinc/17/15/22/1208171522.db2.gz RBKWLGFUUJOVCH-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536285 1208171527 /nfs/dbraw/zinc/17/15/27/1208171527.db2.gz RBKWLGFUUJOVCH-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536285 1208171532 /nfs/dbraw/zinc/17/15/32/1208171532.db2.gz RBKWLGFUUJOVCH-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP O=C(c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001197608972 1208176992 /nfs/dbraw/zinc/17/69/92/1208176992.db2.gz VPHUJXQDCRDXCM-QGZVFWFLSA-N 2 1 353.426 0.662 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1O ZINC001197825010 1208201697 /nfs/dbraw/zinc/20/16/97/1208201697.db2.gz AHHDMSIBQBSEDD-GUDVDZBRSA-N 2 1 361.486 0.804 20 0 FCADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825759 1208201784 /nfs/dbraw/zinc/20/17/84/1208201784.db2.gz HYJAEXFCJKWTIC-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825759 1208201787 /nfs/dbraw/zinc/20/17/87/1208201787.db2.gz HYJAEXFCJKWTIC-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@H]1O ZINC001198048393 1208213652 /nfs/dbraw/zinc/21/36/52/1208213652.db2.gz SSXIGPBLWXLRQV-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@H]1O ZINC001198048393 1208213653 /nfs/dbraw/zinc/21/36/53/1208213653.db2.gz SSXIGPBLWXLRQV-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@H]1O ZINC001198048393 1208213657 /nfs/dbraw/zinc/21/36/57/1208213657.db2.gz SSXIGPBLWXLRQV-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@H]1O ZINC001198048393 1208213660 /nfs/dbraw/zinc/21/36/60/1208213660.db2.gz SSXIGPBLWXLRQV-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030290 1208215446 /nfs/dbraw/zinc/21/54/46/1208215446.db2.gz XPGGQFYAUYGERO-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030290 1208215449 /nfs/dbraw/zinc/21/54/49/1208215449.db2.gz XPGGQFYAUYGERO-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030290 1208215452 /nfs/dbraw/zinc/21/54/52/1208215452.db2.gz XPGGQFYAUYGERO-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(CC)cc2)C[C@H]1O ZINC001198030290 1208215453 /nfs/dbraw/zinc/21/54/53/1208215453.db2.gz XPGGQFYAUYGERO-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198038266 1208216514 /nfs/dbraw/zinc/21/65/14/1208216514.db2.gz NGDDTKVWYSWPBA-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198038266 1208216518 /nfs/dbraw/zinc/21/65/18/1208216518.db2.gz NGDDTKVWYSWPBA-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198038266 1208216519 /nfs/dbraw/zinc/21/65/19/1208216519.db2.gz NGDDTKVWYSWPBA-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198038266 1208216522 /nfs/dbraw/zinc/21/65/22/1208216522.db2.gz NGDDTKVWYSWPBA-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690029 1208278628 /nfs/dbraw/zinc/27/86/28/1208278628.db2.gz SCCFKHDAFDUSEW-BHIYHBOVSA-N 2 1 361.486 0.625 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001198699161 1208279431 /nfs/dbraw/zinc/27/94/31/1208279431.db2.gz LOELIFLSKDVSLY-BHIYHBOVSA-N 2 1 361.486 0.359 20 0 FCADMP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729372 1208284008 /nfs/dbraw/zinc/28/40/08/1208284008.db2.gz LZURZWVIIOYNBD-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729372 1208284010 /nfs/dbraw/zinc/28/40/10/1208284010.db2.gz LZURZWVIIOYNBD-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001199064417 1208315178 /nfs/dbraw/zinc/31/51/78/1208315178.db2.gz IQXZHZAYGUBXMI-IAGOWNOFSA-N 2 1 366.506 0.036 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129150 1208320351 /nfs/dbraw/zinc/32/03/51/1208320351.db2.gz YXYJZBFUNPNFGT-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129150 1208320354 /nfs/dbraw/zinc/32/03/54/1208320354.db2.gz YXYJZBFUNPNFGT-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768510 1225062597 /nfs/dbraw/zinc/06/25/97/1225062597.db2.gz PEFAFYHUPWWTIX-MOPGFXCFSA-N 2 1 363.502 0.531 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCOC)C1 ZINC001691701248 1208417719 /nfs/dbraw/zinc/41/77/19/1208417719.db2.gz NLKZBAKDNGLCJC-RCCFBDPRSA-N 2 1 363.506 0.825 20 0 FCADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(C)(C)C ZINC001201230846 1208449081 /nfs/dbraw/zinc/44/90/81/1208449081.db2.gz XIDCGVXEPXIBMS-IIAWOOMASA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(C)(C)C ZINC001201230846 1208449086 /nfs/dbraw/zinc/44/90/86/1208449086.db2.gz XIDCGVXEPXIBMS-IIAWOOMASA-N 2 1 368.522 0.589 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201240839 1208449941 /nfs/dbraw/zinc/44/99/41/1208449941.db2.gz ZWDPSTUDRSJDGP-BFYDXBDKSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201240839 1208449945 /nfs/dbraw/zinc/44/99/45/1208449945.db2.gz ZWDPSTUDRSJDGP-BFYDXBDKSA-N 2 1 368.522 0.541 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569532 1208463180 /nfs/dbraw/zinc/46/31/80/1208463180.db2.gz QWXGZINSUIEYPN-XDNAFOTISA-N 2 1 362.518 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569532 1208463182 /nfs/dbraw/zinc/46/31/82/1208463182.db2.gz QWXGZINSUIEYPN-XDNAFOTISA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001489202698 1208665446 /nfs/dbraw/zinc/66/54/46/1208665446.db2.gz KZWIDSHJEPZRCA-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001489202698 1208665449 /nfs/dbraw/zinc/66/54/49/1208665449.db2.gz KZWIDSHJEPZRCA-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001220825740 1225091476 /nfs/dbraw/zinc/09/14/76/1225091476.db2.gz DVAFMHDGCINCBE-SJORKVTESA-N 2 1 363.506 0.541 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001220825740 1225091483 /nfs/dbraw/zinc/09/14/83/1225091483.db2.gz DVAFMHDGCINCBE-SJORKVTESA-N 2 1 363.506 0.541 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001220825740 1225091490 /nfs/dbraw/zinc/09/14/90/1225091490.db2.gz DVAFMHDGCINCBE-SJORKVTESA-N 2 1 363.506 0.541 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001220825740 1225091496 /nfs/dbraw/zinc/09/14/96/1225091496.db2.gz DVAFMHDGCINCBE-SJORKVTESA-N 2 1 363.506 0.541 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220828897 1225092644 /nfs/dbraw/zinc/09/26/44/1225092644.db2.gz HLSRKZZETLZXOG-CVEARBPZSA-N 2 1 363.458 0.461 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829624 1225093835 /nfs/dbraw/zinc/09/38/35/1225093835.db2.gz XPGGQFYAUYGERO-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829624 1225093840 /nfs/dbraw/zinc/09/38/40/1225093840.db2.gz XPGGQFYAUYGERO-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829624 1225093842 /nfs/dbraw/zinc/09/38/42/1225093842.db2.gz XPGGQFYAUYGERO-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(CC)cc2)C[C@@H]1O ZINC001220829624 1225093848 /nfs/dbraw/zinc/09/38/48/1225093848.db2.gz XPGGQFYAUYGERO-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001489526595 1208881191 /nfs/dbraw/zinc/88/11/91/1208881191.db2.gz BGNQSCHTDBRTAA-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872060 1225118070 /nfs/dbraw/zinc/11/80/70/1225118070.db2.gz INRLOBANUHNIRD-LJQANCHMSA-N 2 1 366.465 0.771 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001490033792 1209217824 /nfs/dbraw/zinc/21/78/24/1209217824.db2.gz DNOLTTTWIAGJOD-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2=O)cc1 ZINC001220875200 1225120289 /nfs/dbraw/zinc/12/02/89/1225120289.db2.gz WZYIBGCRHIKCQB-INIZCTEOSA-N 2 1 362.474 0.282 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cn21 ZINC001220896350 1225127836 /nfs/dbraw/zinc/12/78/36/1225127836.db2.gz JZKQVRWWMUYNND-CABCVRRESA-N 2 1 357.462 0.129 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cn21 ZINC001220896350 1225127838 /nfs/dbraw/zinc/12/78/38/1225127838.db2.gz JZKQVRWWMUYNND-CABCVRRESA-N 2 1 357.462 0.129 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851685483 1209511790 /nfs/dbraw/zinc/51/17/90/1209511790.db2.gz QQTRYBFDKRWMKD-CJNGLKHVSA-N 2 1 370.457 0.778 20 0 FCADMP O=C(CCc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531724 /nfs/dbraw/zinc/53/17/24/1209531724.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 1 358.446 0.321 20 0 FCADMP O=C(CCc1cnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531730 /nfs/dbraw/zinc/53/17/30/1209531730.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 1 358.446 0.321 20 0 FCADMP O=C(CCc1cnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531735 /nfs/dbraw/zinc/53/17/35/1209531735.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 1 358.446 0.321 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000852922522 1209577845 /nfs/dbraw/zinc/57/78/45/1209577845.db2.gz YQOBZROHBOJWSS-QRVBRYPASA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853339160 1209590225 /nfs/dbraw/zinc/59/02/25/1209590225.db2.gz ITGKHOORSUBJIH-IBGZPJMESA-N 2 1 359.474 0.635 20 0 FCADMP C[N@H+]1CCCN(c2ccc(-c3noc(-c4cn(CC[NH3+])nn4)n3)cn2)CC1 ZINC000854146125 1209617041 /nfs/dbraw/zinc/61/70/41/1209617041.db2.gz CNVZXCXOFJIZCA-UHFFFAOYSA-N 2 1 369.433 0.491 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693907 1209651801 /nfs/dbraw/zinc/65/18/01/1209651801.db2.gz VHZNGDWYOQFHJK-BDXSIMOUSA-N 2 1 368.522 0.447 20 0 FCADMP NC(=O)c1ccc(CC[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665748 1210000887 /nfs/dbraw/zinc/00/08/87/1210000887.db2.gz GECVQAQCNQPANM-QZTJIDSGSA-N 2 1 371.485 0.548 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215002 1210044636 /nfs/dbraw/zinc/04/46/36/1210044636.db2.gz AFENMDJMTUBRTB-MSOLQXFVSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(F)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000868535294 1210068887 /nfs/dbraw/zinc/06/88/87/1210068887.db2.gz RBQSOUMWCVCEJF-RTBURBONSA-N 2 1 366.481 0.433 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1[nH+]cn2ccccc12 ZINC001221008320 1225184229 /nfs/dbraw/zinc/18/42/29/1225184229.db2.gz QYXCDOKIOADQQP-HNNXBMFYSA-N 2 1 351.410 0.637 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870876443 1210121235 /nfs/dbraw/zinc/12/12/35/1210121235.db2.gz BBLFNVFPGAIPGX-SQGPQFPESA-N 2 1 356.470 0.574 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872306076 1210189267 /nfs/dbraw/zinc/18/92/67/1210189267.db2.gz WBHIIIBKRFGAKM-TUVASFSCSA-N 2 1 361.446 0.790 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073080 1225210232 /nfs/dbraw/zinc/21/02/32/1225210232.db2.gz FPHGLUAQAUSMBA-MSOLQXFVSA-N 2 1 363.506 0.483 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876783953 1210431237 /nfs/dbraw/zinc/43/12/37/1210431237.db2.gz RVEBEYNRJDOVNU-MSOLQXFVSA-N 2 1 374.533 0.968 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246819 1210440638 /nfs/dbraw/zinc/44/06/38/1210440638.db2.gz QJFXOWLVJHRJSU-SFFUCWETSA-N 2 1 362.518 0.966 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)n1 ZINC001221081021 1225213387 /nfs/dbraw/zinc/21/33/87/1225213387.db2.gz BLQALCFIUVSXMI-MSOLQXFVSA-N 2 1 363.506 0.537 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1ccccc1 ZINC001221095173 1225219483 /nfs/dbraw/zinc/21/94/83/1225219483.db2.gz ADDRKDNCEZIKGY-CEXWTWQISA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)c1ccccc1 ZINC001221095173 1225219486 /nfs/dbraw/zinc/21/94/86/1225219486.db2.gz ADDRKDNCEZIKGY-CEXWTWQISA-N 2 1 361.486 0.877 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883264237 1210660644 /nfs/dbraw/zinc/66/06/44/1210660644.db2.gz VJYVAEXKAYSHSH-UHFFFAOYSA-N 2 1 362.478 0.707 20 0 FCADMP O=C(N1CCNCC1)N1CCN(C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883436869 1210667555 /nfs/dbraw/zinc/66/75/55/1210667555.db2.gz CYVLHPFMGXJBOD-KRWDZBQOSA-N 2 1 366.506 0.605 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883606591 1210673540 /nfs/dbraw/zinc/67/35/40/1210673540.db2.gz XFRLVOSGBIJYJC-INIZCTEOSA-N 2 1 359.474 0.763 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883611553 1210675174 /nfs/dbraw/zinc/67/51/74/1210675174.db2.gz BNYXOAXKITUUKX-IIDMSEBBSA-N 2 1 371.485 0.763 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000883647934 1210679448 /nfs/dbraw/zinc/67/94/48/1210679448.db2.gz ISNCXHVVWQBMHB-WMZOPIPTSA-N 2 1 374.485 0.721 20 0 FCADMP CN(C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1(C[NH3+])CCCCC1 ZINC000883653842 1210680459 /nfs/dbraw/zinc/68/04/59/1210680459.db2.gz LFQMAWWMYDWROU-UHFFFAOYSA-N 2 1 368.522 0.412 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883659365 1210681824 /nfs/dbraw/zinc/68/18/24/1210681824.db2.gz GQVSOADFZMKKNN-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CC[NH2+]CCC12CCC2)CC[NH+](C)C ZINC000883659365 1210681825 /nfs/dbraw/zinc/68/18/25/1210681825.db2.gz GQVSOADFZMKKNN-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000884211430 1210723130 /nfs/dbraw/zinc/72/31/30/1210723130.db2.gz DHSPGBDPIJUOQY-DLBZAZTESA-N 2 1 359.474 0.162 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000884211433 1210723295 /nfs/dbraw/zinc/72/32/95/1210723295.db2.gz DHSPGBDPIJUOQY-SJORKVTESA-N 2 1 359.474 0.162 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234108 1210725018 /nfs/dbraw/zinc/72/50/18/1210725018.db2.gz ICLJMXDJFATMRY-UHFFFAOYSA-N 2 1 360.506 0.249 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000884486564 1210737525 /nfs/dbraw/zinc/73/75/25/1210737525.db2.gz ZUPKCMGPERHGAK-RHSMWYFYSA-N 2 1 362.474 0.625 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884503659 1210740255 /nfs/dbraw/zinc/74/02/55/1210740255.db2.gz PXYVNTMACFVMFI-MOPGFXCFSA-N 2 1 372.513 0.878 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000884507914 1210741026 /nfs/dbraw/zinc/74/10/26/1210741026.db2.gz PPOWACPVHNCVPO-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884516605 1210743285 /nfs/dbraw/zinc/74/32/85/1210743285.db2.gz ONAJUONRIGYHMK-MRXNPFEDSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884571958 1210754068 /nfs/dbraw/zinc/75/40/68/1210754068.db2.gz BTMPNXYBBNJMMV-DSLXNQLJSA-N 2 1 370.497 0.976 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884572855 1210754330 /nfs/dbraw/zinc/75/43/30/1210754330.db2.gz XCYMKPXUEXTYSJ-YESZJQIVSA-N 2 1 374.510 0.293 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884572855 1210754338 /nfs/dbraw/zinc/75/43/38/1210754338.db2.gz XCYMKPXUEXTYSJ-YESZJQIVSA-N 2 1 374.510 0.293 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000884576569 1210754579 /nfs/dbraw/zinc/75/45/79/1210754579.db2.gz KQPHTCHHNBVJDZ-FHLIZLRMSA-N 2 1 358.486 0.888 20 0 FCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884592451 1210757938 /nfs/dbraw/zinc/75/79/38/1210757938.db2.gz OCOXBGVLUHSGHL-YSHGAJCASA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598319 1210759143 /nfs/dbraw/zinc/75/91/43/1210759143.db2.gz YGOWKOGRRCJZNI-CABCVRRESA-N 2 1 374.476 0.976 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884601573 1210759748 /nfs/dbraw/zinc/75/97/48/1210759748.db2.gz PQKJMVMSVLNVEW-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884601572 1210760153 /nfs/dbraw/zinc/76/01/53/1210760153.db2.gz PQKJMVMSVLNVEW-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)o1 ZINC000884601429 1210760235 /nfs/dbraw/zinc/76/02/35/1210760235.db2.gz LIEYCOPKTOONSR-XHSDSOJGSA-N 2 1 360.458 0.804 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884645954 1210772093 /nfs/dbraw/zinc/77/20/93/1210772093.db2.gz BDJZIARNHQXLGY-BGTYHANMSA-N 2 1 356.470 0.728 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884646283 1210772366 /nfs/dbraw/zinc/77/23/66/1210772366.db2.gz NXNHRXUJJOFZNN-CGTJXYLNSA-N 2 1 358.486 0.976 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884646284 1210772516 /nfs/dbraw/zinc/77/25/16/1210772516.db2.gz NXNHRXUJJOFZNN-JQHSSLGASA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000884669699 1210775532 /nfs/dbraw/zinc/77/55/32/1210775532.db2.gz DNAKBYOYJDOBHC-KURKYZTESA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NC3CC[NH2+]CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884675197 1210777572 /nfs/dbraw/zinc/77/75/72/1210777572.db2.gz VKZDLWAEZVHXHW-LAUBAEHRSA-N 2 1 370.497 0.835 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000884679215 1210779568 /nfs/dbraw/zinc/77/95/68/1210779568.db2.gz ZPKJKJAADJLPAQ-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000884679215 1210779573 /nfs/dbraw/zinc/77/95/73/1210779573.db2.gz ZPKJKJAADJLPAQ-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884687619 1210781693 /nfs/dbraw/zinc/78/16/93/1210781693.db2.gz CEOFUNCKMTWSGL-ZWKOTPCHSA-N 2 1 358.486 0.693 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000884703982 1210782970 /nfs/dbraw/zinc/78/29/70/1210782970.db2.gz QYLLVNMVLQZRFK-WBVHZDCISA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000884703982 1210782976 /nfs/dbraw/zinc/78/29/76/1210782976.db2.gz QYLLVNMVLQZRFK-WBVHZDCISA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694347 1210783134 /nfs/dbraw/zinc/78/31/34/1210783134.db2.gz JXPOIRBRXKRTGG-QZTJIDSGSA-N 2 1 358.486 0.944 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722025 1210788830 /nfs/dbraw/zinc/78/88/30/1210788830.db2.gz DEKRXSVAABHTCF-ZFWWWQNUSA-N 2 1 368.428 0.581 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722025 1210788835 /nfs/dbraw/zinc/78/88/35/1210788835.db2.gz DEKRXSVAABHTCF-ZFWWWQNUSA-N 2 1 368.428 0.581 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000884721695 1210788963 /nfs/dbraw/zinc/78/89/63/1210788963.db2.gz RALZOVYHOYIXBE-GOSISDBHSA-N 2 1 356.470 0.721 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000884724296 1210789785 /nfs/dbraw/zinc/78/97/85/1210789785.db2.gz OTXFFRNFKBAPJW-KSZLIROESA-N 2 1 358.486 0.929 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000884724426 1210789957 /nfs/dbraw/zinc/78/99/57/1210789957.db2.gz SUSLAITVRWXGCG-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000884775669 1210793266 /nfs/dbraw/zinc/79/32/66/1210793266.db2.gz IMENAZFCHSWTIN-FHWLQOOXSA-N 2 1 370.497 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833004 1210800123 /nfs/dbraw/zinc/80/01/23/1210800123.db2.gz DVGQQFNNXRDSRA-OWYHZJEWSA-N 2 1 370.497 0.691 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000884839858 1210800709 /nfs/dbraw/zinc/80/07/09/1210800709.db2.gz BXDXGARFVAQSCJ-UHFFFAOYSA-N 2 1 356.470 0.503 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838230 1210800827 /nfs/dbraw/zinc/80/08/27/1210800827.db2.gz FFAIKDQUSIMFQF-MRXNPFEDSA-N 2 1 358.486 0.938 20 0 FCADMP CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884885642 1210802886 /nfs/dbraw/zinc/80/28/86/1210802886.db2.gz AVXNQNZCLIHYMC-AEFFLSMTSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971460 1210806140 /nfs/dbraw/zinc/80/61/40/1210806140.db2.gz BTLYQXJABNWXTK-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971460 1210806142 /nfs/dbraw/zinc/80/61/42/1210806142.db2.gz BTLYQXJABNWXTK-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000884982978 1210806535 /nfs/dbraw/zinc/80/65/35/1210806535.db2.gz LVEGQHKMRRZGLM-OHTSDLOESA-N 2 1 356.470 0.635 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000884983119 1210806765 /nfs/dbraw/zinc/80/67/65/1210806765.db2.gz FINYORCQRVGKHU-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000884983119 1210806768 /nfs/dbraw/zinc/80/67/68/1210806768.db2.gz FINYORCQRVGKHU-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000884983730 1210806916 /nfs/dbraw/zinc/80/69/16/1210806916.db2.gz UZEGJICYHFQLGB-KRWDZBQOSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000884983465 1210806928 /nfs/dbraw/zinc/80/69/28/1210806928.db2.gz SHVVYRIVTKXBBA-PXNSSMCTSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)c1 ZINC000885018251 1210808972 /nfs/dbraw/zinc/80/89/72/1210808972.db2.gz LGUKDKZLIYBRFV-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)c1 ZINC000885018251 1210808975 /nfs/dbraw/zinc/80/89/75/1210808975.db2.gz LGUKDKZLIYBRFV-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018099 1210809051 /nfs/dbraw/zinc/80/90/51/1210809051.db2.gz IRFPEPCJIMBRHD-MSOLQXFVSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018099 1210809052 /nfs/dbraw/zinc/80/90/52/1210809052.db2.gz IRFPEPCJIMBRHD-MSOLQXFVSA-N 2 1 374.485 0.132 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143723 1210812274 /nfs/dbraw/zinc/81/22/74/1210812274.db2.gz MXOPLXHZUXAAPI-HOTGVXAUSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143723 1210812275 /nfs/dbraw/zinc/81/22/75/1210812275.db2.gz MXOPLXHZUXAAPI-HOTGVXAUSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150410 1210812474 /nfs/dbraw/zinc/81/24/74/1210812474.db2.gz VRFFSLNTLLSEJB-CVEARBPZSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150413 1210812540 /nfs/dbraw/zinc/81/25/40/1210812540.db2.gz VRFFSLNTLLSEJB-JKSUJKDBSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167673 1210814624 /nfs/dbraw/zinc/81/46/24/1210814624.db2.gz ORSYMDMASDIFID-MSOLQXFVSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC001691719349 1210843161 /nfs/dbraw/zinc/84/31/61/1210843161.db2.gz CTIOAOWYUNUKAP-VYDXJSESSA-N 2 1 357.495 0.074 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000887061204 1210844041 /nfs/dbraw/zinc/84/40/41/1210844041.db2.gz NSIZMXRYFPJFFL-CEXWTWQISA-N 2 1 370.497 0.774 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887067932 1210845290 /nfs/dbraw/zinc/84/52/90/1210845290.db2.gz BYZAPWITFODNBW-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887068286 1210845305 /nfs/dbraw/zinc/84/53/05/1210845305.db2.gz IUEWERYWTACZLR-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887070912 1210845901 /nfs/dbraw/zinc/84/59/01/1210845901.db2.gz VYZDENCUPCMHKI-RTBURBONSA-N 2 1 372.513 0.972 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)C2)C1 ZINC000887081100 1210846401 /nfs/dbraw/zinc/84/64/01/1210846401.db2.gz LNTPAAWGDVSZCN-WOJBJXKFSA-N 2 1 362.518 0.923 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090879 1210878770 /nfs/dbraw/zinc/87/87/70/1210878770.db2.gz LPHBOVDBNQCMGW-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(=O)[nH]2)CC1 ZINC001274202586 1210910548 /nfs/dbraw/zinc/91/05/48/1210910548.db2.gz GPSAWFAKTOOTLE-HOTGVXAUSA-N 2 1 360.458 0.419 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccc(=O)[nH]2)CC1 ZINC001274202586 1210910552 /nfs/dbraw/zinc/91/05/52/1210910552.db2.gz GPSAWFAKTOOTLE-HOTGVXAUSA-N 2 1 360.458 0.419 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134545 1210966667 /nfs/dbraw/zinc/96/66/67/1210966667.db2.gz ZVHATPZGCRWEIH-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890134545 1210966679 /nfs/dbraw/zinc/96/66/79/1210966679.db2.gz ZVHATPZGCRWEIH-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134545 1210966683 /nfs/dbraw/zinc/96/66/83/1210966683.db2.gz ZVHATPZGCRWEIH-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1COCCN1Cc1ccccc1 ZINC001274693724 1211103363 /nfs/dbraw/zinc/10/33/63/1211103363.db2.gz DKUCPLISDLBDFV-GBESFXJTSA-N 2 1 359.470 0.819 20 0 FCADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1COCCN1Cc1ccccc1 ZINC001274693724 1211103365 /nfs/dbraw/zinc/10/33/65/1211103365.db2.gz DKUCPLISDLBDFV-GBESFXJTSA-N 2 1 359.470 0.819 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC[NH+](CCn3ccnc3)C2)CC1 ZINC001274908041 1211141304 /nfs/dbraw/zinc/14/13/04/1211141304.db2.gz JLVXFDVMOZMKRL-IRXDYDNUSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001274908041 1211141308 /nfs/dbraw/zinc/14/13/08/1211141308.db2.gz JLVXFDVMOZMKRL-IRXDYDNUSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001274908041 1211141313 /nfs/dbraw/zinc/14/13/13/1211141313.db2.gz JLVXFDVMOZMKRL-IRXDYDNUSA-N 2 1 361.490 0.263 20 0 FCADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068636 1211173349 /nfs/dbraw/zinc/17/33/49/1211173349.db2.gz JTKWMASBEHORPG-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068636 1211173351 /nfs/dbraw/zinc/17/33/51/1211173351.db2.gz JTKWMASBEHORPG-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068636 1211173356 /nfs/dbraw/zinc/17/33/56/1211173356.db2.gz JTKWMASBEHORPG-AZUAARDMSA-N 2 1 366.550 0.973 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275171646 1211188198 /nfs/dbraw/zinc/18/81/98/1211188198.db2.gz LHIHKQMYAFLTCR-QRQLOZEOSA-N 2 1 360.506 0.707 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001275178266 1211190824 /nfs/dbraw/zinc/19/08/24/1211190824.db2.gz WDWFPONWKXAZTD-QGZVFWFLSA-N 2 1 360.506 0.053 20 0 FCADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275325816 1211215445 /nfs/dbraw/zinc/21/54/45/1211215445.db2.gz REVNJMKMANAWFH-WSTZPKSXSA-N 2 1 364.534 0.583 20 0 FCADMP COC(CN1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O)OC ZINC001275341669 1211217684 /nfs/dbraw/zinc/21/76/84/1211217684.db2.gz QNSUWGLKGSOZBD-LJQANCHMSA-N 2 1 369.506 0.785 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O)OC ZINC001275341669 1211217686 /nfs/dbraw/zinc/21/76/86/1211217686.db2.gz QNSUWGLKGSOZBD-LJQANCHMSA-N 2 1 369.506 0.785 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)OCC1=O ZINC001275504305 1211251208 /nfs/dbraw/zinc/25/12/08/1211251208.db2.gz LVIBWPVUYHLJCP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)OCC1=O ZINC001275504305 1211251212 /nfs/dbraw/zinc/25/12/12/1211251212.db2.gz LVIBWPVUYHLJCP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)OCC1=O ZINC001275504305 1211251214 /nfs/dbraw/zinc/25/12/14/1211251214.db2.gz LVIBWPVUYHLJCP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP COCCOCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275557009 1211257035 /nfs/dbraw/zinc/25/70/35/1211257035.db2.gz SAVCBOZQHQRBBO-IBGZPJMESA-N 2 1 369.506 0.500 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)nc1 ZINC001275603539 1211262811 /nfs/dbraw/zinc/26/28/11/1211262811.db2.gz IDCTUWQPHYPQTR-IBGZPJMESA-N 2 1 360.458 0.997 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)nc1 ZINC001275603539 1211262814 /nfs/dbraw/zinc/26/28/14/1211262814.db2.gz IDCTUWQPHYPQTR-IBGZPJMESA-N 2 1 360.458 0.997 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1O ZINC001275641226 1211267134 /nfs/dbraw/zinc/26/71/34/1211267134.db2.gz FWUURVYYIYFFCO-LJQANCHMSA-N 2 1 363.458 0.766 20 0 FCADMP CCN(CC)C(=O)CN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736108 1211278195 /nfs/dbraw/zinc/27/81/95/1211278195.db2.gz AYRUZTZKPADUIJ-IBGZPJMESA-N 2 1 366.506 0.158 20 0 FCADMP COC[C@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275736850 1211278968 /nfs/dbraw/zinc/27/89/68/1211278968.db2.gz HUTOVZSYDYCIRC-VQIMIIECSA-N 2 1 367.490 0.631 20 0 FCADMP CC(C)OC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738031 1211279243 /nfs/dbraw/zinc/27/92/43/1211279243.db2.gz RUITYRNBZZDGRU-LJQANCHMSA-N 2 1 367.490 0.489 20 0 FCADMP COCCOCN1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743688 1211279998 /nfs/dbraw/zinc/27/99/98/1211279998.db2.gz UTFCEYLQNDQNLR-LJQANCHMSA-N 2 1 369.506 0.642 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743401 1211280110 /nfs/dbraw/zinc/28/01/10/1211280110.db2.gz QMJJIRAJRULDDD-LJQANCHMSA-N 2 1 366.506 0.158 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275743397 1211280142 /nfs/dbraw/zinc/28/01/42/1211280142.db2.gz QJQKNYBAWBIQMJ-LJQANCHMSA-N 2 1 369.506 0.641 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798360 1211285114 /nfs/dbraw/zinc/28/51/14/1211285114.db2.gz BIMYAJSXOHPKMH-PKOBYXMFSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798360 1211285116 /nfs/dbraw/zinc/28/51/16/1211285116.db2.gz BIMYAJSXOHPKMH-PKOBYXMFSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798360 1211285119 /nfs/dbraw/zinc/28/51/19/1211285119.db2.gz BIMYAJSXOHPKMH-PKOBYXMFSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798360 1211285120 /nfs/dbraw/zinc/28/51/20/1211285120.db2.gz BIMYAJSXOHPKMH-PKOBYXMFSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800809 1211285681 /nfs/dbraw/zinc/28/56/81/1211285681.db2.gz HIJWHIPFGXBVSH-KSZLIROESA-N 2 1 361.490 0.120 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800809 1211285683 /nfs/dbraw/zinc/28/56/83/1211285683.db2.gz HIJWHIPFGXBVSH-KSZLIROESA-N 2 1 361.490 0.120 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800809 1211285686 /nfs/dbraw/zinc/28/56/86/1211285686.db2.gz HIJWHIPFGXBVSH-KSZLIROESA-N 2 1 361.490 0.120 20 0 FCADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)C[N@H+]2CC[C@@H](O)C2)n(C)n1 ZINC001275800645 1211286059 /nfs/dbraw/zinc/28/60/59/1211286059.db2.gz GQXDJYPWKRVTJF-YCXXCVGLSA-N 2 1 361.490 0.407 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC2(CC[NH+](CCn3ccnc3)C2)CC1 ZINC001275801676 1211286367 /nfs/dbraw/zinc/28/63/67/1211286367.db2.gz TYSUCZKZHATXIG-QGZVFWFLSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001275801676 1211286369 /nfs/dbraw/zinc/28/63/69/1211286369.db2.gz TYSUCZKZHATXIG-QGZVFWFLSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275801676 1211286372 /nfs/dbraw/zinc/28/63/72/1211286372.db2.gz TYSUCZKZHATXIG-QGZVFWFLSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000363477415 1211294396 /nfs/dbraw/zinc/29/43/96/1211294396.db2.gz VUJQKPVOWKLLMA-SJORKVTESA-N 2 1 363.506 0.563 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877550 1211303010 /nfs/dbraw/zinc/30/30/10/1211303010.db2.gz DAJKVWFRDKKVFA-LPHOPBHVSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877550 1211303014 /nfs/dbraw/zinc/30/30/14/1211303014.db2.gz DAJKVWFRDKKVFA-LPHOPBHVSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877550 1211303017 /nfs/dbraw/zinc/30/30/17/1211303017.db2.gz DAJKVWFRDKKVFA-LPHOPBHVSA-N 2 1 367.490 0.790 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877550 1211303020 /nfs/dbraw/zinc/30/30/20/1211303020.db2.gz DAJKVWFRDKKVFA-LPHOPBHVSA-N 2 1 367.490 0.790 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275881249 1211305099 /nfs/dbraw/zinc/30/50/99/1211305099.db2.gz XUAHMCUVLMXDLE-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275881249 1211305103 /nfs/dbraw/zinc/30/51/03/1211305103.db2.gz XUAHMCUVLMXDLE-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275881249 1211305107 /nfs/dbraw/zinc/30/51/07/1211305107.db2.gz XUAHMCUVLMXDLE-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369602595 1211329799 /nfs/dbraw/zinc/32/97/99/1211329799.db2.gz RNDAIGZXNDTMEZ-GUDVDZBRSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369602595 1211329802 /nfs/dbraw/zinc/32/98/02/1211329802.db2.gz RNDAIGZXNDTMEZ-GUDVDZBRSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000369602595 1211329806 /nfs/dbraw/zinc/32/98/06/1211329806.db2.gz RNDAIGZXNDTMEZ-GUDVDZBRSA-N 2 1 359.470 0.867 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369602595 1211329808 /nfs/dbraw/zinc/32/98/08/1211329808.db2.gz RNDAIGZXNDTMEZ-GUDVDZBRSA-N 2 1 359.470 0.867 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001095431519 1211334925 /nfs/dbraw/zinc/33/49/25/1211334925.db2.gz FETXDKGUWNGSOU-BSWAZPDLSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001095431519 1211334928 /nfs/dbraw/zinc/33/49/28/1211334928.db2.gz FETXDKGUWNGSOU-BSWAZPDLSA-N 2 1 374.489 0.058 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001221253974 1225282166 /nfs/dbraw/zinc/28/21/66/1225282166.db2.gz CXQMQMATQJGEBK-BZSNNMDCSA-N 2 1 358.486 0.534 20 0 FCADMP COc1ccc2c(C[C@H]([NH3+])C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc(=O)oc2c1 ZINC001221254099 1225282435 /nfs/dbraw/zinc/28/24/35/1225282435.db2.gz FKUIUMWVYYUFBH-LRDDRELGSA-N 2 1 359.426 0.739 20 0 FCADMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001276181373 1211374627 /nfs/dbraw/zinc/37/46/27/1211374627.db2.gz WKAJEPFIEXGDBX-LJQANCHMSA-N 2 1 363.506 0.885 20 0 FCADMP CCCn1ncc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1C ZINC001276180775 1211374772 /nfs/dbraw/zinc/37/47/72/1211374772.db2.gz KCUIHUWNMPEPLV-LJQANCHMSA-N 2 1 363.506 0.966 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001276198755 1211379117 /nfs/dbraw/zinc/37/91/17/1211379117.db2.gz RDGLDWFNKUXHCS-SFHVURJKSA-N 2 1 365.430 0.431 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001276198755 1211379120 /nfs/dbraw/zinc/37/91/20/1211379120.db2.gz RDGLDWFNKUXHCS-SFHVURJKSA-N 2 1 365.430 0.431 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000926127129 1211516793 /nfs/dbraw/zinc/51/67/93/1211516793.db2.gz TUNTXPDJVKUFMF-ZWKOTPCHSA-N 2 1 359.470 0.638 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927632159 1211576102 /nfs/dbraw/zinc/57/61/02/1211576102.db2.gz XEBJXVKKBZJCSU-GOEBONIOSA-N 2 1 367.494 0.001 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000927644414 1211578728 /nfs/dbraw/zinc/57/87/28/1211578728.db2.gz HJZRYNOLVMHJTR-ZWKOTPCHSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000927644414 1211578732 /nfs/dbraw/zinc/57/87/32/1211578732.db2.gz HJZRYNOLVMHJTR-ZWKOTPCHSA-N 2 1 366.506 0.746 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000927883522 1211589912 /nfs/dbraw/zinc/58/99/12/1211589912.db2.gz QEZJZYNHUNCGDL-KRWDZBQOSA-N 2 1 374.485 0.697 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956339 1211614926 /nfs/dbraw/zinc/61/49/26/1211614926.db2.gz DXWYMYAVJURRQH-OAGGEKHMSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956339 1211614929 /nfs/dbraw/zinc/61/49/29/1211614929.db2.gz DXWYMYAVJURRQH-OAGGEKHMSA-N 2 1 365.522 0.757 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959270 1211615521 /nfs/dbraw/zinc/61/55/21/1211615521.db2.gz HSANRQGZNLHIAE-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959270 1211615523 /nfs/dbraw/zinc/61/55/23/1211615523.db2.gz HSANRQGZNLHIAE-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001110959740 1211615533 /nfs/dbraw/zinc/61/55/33/1211615533.db2.gz ZNCCWDOUSPJSGW-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976199 1211653470 /nfs/dbraw/zinc/65/34/70/1211653470.db2.gz GMIIXGBASOJQBS-XDNAFOTISA-N 2 1 369.506 0.074 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)CCCC2)CC1 ZINC000930049845 1211684611 /nfs/dbraw/zinc/68/46/11/1211684611.db2.gz ODBODQSVCSSEIE-HNNXBMFYSA-N 2 1 366.506 0.347 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)CCCC2)CC1 ZINC000930049845 1211684616 /nfs/dbraw/zinc/68/46/16/1211684616.db2.gz ODBODQSVCSSEIE-HNNXBMFYSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC000931426318 1211755650 /nfs/dbraw/zinc/75/56/50/1211755650.db2.gz MHIJSNGRLMIADJ-CVEARBPZSA-N 2 1 360.458 0.448 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC000931426318 1211755652 /nfs/dbraw/zinc/75/56/52/1211755652.db2.gz MHIJSNGRLMIADJ-CVEARBPZSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC000931426318 1211755654 /nfs/dbraw/zinc/75/56/54/1211755654.db2.gz MHIJSNGRLMIADJ-CVEARBPZSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC000931426318 1211755657 /nfs/dbraw/zinc/75/56/57/1211755657.db2.gz MHIJSNGRLMIADJ-CVEARBPZSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931872588 1211776176 /nfs/dbraw/zinc/77/61/76/1211776176.db2.gz AVPRHMFHWLHQKX-GOSISDBHSA-N 2 1 360.502 0.830 20 0 FCADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931872588 1211776182 /nfs/dbraw/zinc/77/61/82/1211776182.db2.gz AVPRHMFHWLHQKX-GOSISDBHSA-N 2 1 360.502 0.830 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000931874149 1211776656 /nfs/dbraw/zinc/77/66/56/1211776656.db2.gz BJLTVPPNBSKXCX-LJQANCHMSA-N 2 1 372.513 0.974 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000931874149 1211776659 /nfs/dbraw/zinc/77/66/59/1211776659.db2.gz BJLTVPPNBSKXCX-LJQANCHMSA-N 2 1 372.513 0.974 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000931874149 1211776661 /nfs/dbraw/zinc/77/66/61/1211776661.db2.gz BJLTVPPNBSKXCX-LJQANCHMSA-N 2 1 372.513 0.974 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000931874149 1211776665 /nfs/dbraw/zinc/77/66/65/1211776665.db2.gz BJLTVPPNBSKXCX-LJQANCHMSA-N 2 1 372.513 0.974 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001111023545 1211796576 /nfs/dbraw/zinc/79/65/76/1211796576.db2.gz PCKJIQRTFCMEAR-OAFZBRQQSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001111023545 1211796579 /nfs/dbraw/zinc/79/65/79/1211796579.db2.gz PCKJIQRTFCMEAR-OAFZBRQQSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001111023545 1211796580 /nfs/dbraw/zinc/79/65/80/1211796580.db2.gz PCKJIQRTFCMEAR-OAFZBRQQSA-N 2 1 371.497 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000933853635 1211849506 /nfs/dbraw/zinc/84/95/06/1211849506.db2.gz OTZGDIJATMKDGR-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000933853635 1211849507 /nfs/dbraw/zinc/84/95/07/1211849507.db2.gz OTZGDIJATMKDGR-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000933853635 1211849509 /nfs/dbraw/zinc/84/95/09/1211849509.db2.gz OTZGDIJATMKDGR-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000933853635 1211849510 /nfs/dbraw/zinc/84/95/10/1211849510.db2.gz OTZGDIJATMKDGR-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+](CCC(=O)NC)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000933865959 1211850260 /nfs/dbraw/zinc/85/02/60/1211850260.db2.gz GAWUUKWTFZTRFI-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935365655 1211876714 /nfs/dbraw/zinc/87/67/14/1211876714.db2.gz KBTIIRJHLLPJGO-BBWFWOEESA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935365655 1211876715 /nfs/dbraw/zinc/87/67/15/1211876715.db2.gz KBTIIRJHLLPJGO-BBWFWOEESA-N 2 1 368.522 0.325 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)cc2)n[nH]1 ZINC000566972524 1211901314 /nfs/dbraw/zinc/90/13/14/1211901314.db2.gz GWVRIZJPIUKMEP-ZDUSSCGKSA-N 2 1 367.417 0.526 20 0 FCADMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)cc2)n[nH]1 ZINC000566972523 1211901414 /nfs/dbraw/zinc/90/14/14/1211901414.db2.gz GWVRIZJPIUKMEP-CYBMUJFWSA-N 2 1 367.417 0.526 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111234271 1211936880 /nfs/dbraw/zinc/93/68/80/1211936880.db2.gz FTUDOMDGGBAZMO-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111234271 1211936885 /nfs/dbraw/zinc/93/68/85/1211936885.db2.gz FTUDOMDGGBAZMO-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111234271 1211936890 /nfs/dbraw/zinc/93/68/90/1211936890.db2.gz FTUDOMDGGBAZMO-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111234271 1211936893 /nfs/dbraw/zinc/93/68/93/1211936893.db2.gz FTUDOMDGGBAZMO-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000047304368 1211938718 /nfs/dbraw/zinc/93/87/18/1211938718.db2.gz UYNITDKFOBAPIB-UHFFFAOYSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767387 1211979494 /nfs/dbraw/zinc/97/94/94/1211979494.db2.gz BEUQNGWMBGKQKW-BSWAZPDLSA-N 2 1 353.426 0.948 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767387 1211979507 /nfs/dbraw/zinc/97/95/07/1211979507.db2.gz BEUQNGWMBGKQKW-BSWAZPDLSA-N 2 1 353.426 0.948 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001095769493 1211981956 /nfs/dbraw/zinc/98/19/56/1211981956.db2.gz QMCAAROIYOXYBP-IKGGRYGDSA-N 2 1 359.474 0.926 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001095769493 1211981970 /nfs/dbraw/zinc/98/19/70/1211981970.db2.gz QMCAAROIYOXYBP-IKGGRYGDSA-N 2 1 359.474 0.926 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)ccc2c[nH+]cn21 ZINC000968545942 1212020286 /nfs/dbraw/zinc/02/02/86/1212020286.db2.gz UHQIFHQYHPAFSU-IKGGRYGDSA-N 2 1 371.441 0.038 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000947964382 1212105227 /nfs/dbraw/zinc/10/52/27/1212105227.db2.gz DPICHKSEZIDAKS-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000948385093 1212165176 /nfs/dbraw/zinc/16/51/76/1212165176.db2.gz IXDHBLTUYRRUED-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000948385093 1212165182 /nfs/dbraw/zinc/16/51/82/1212165182.db2.gz IXDHBLTUYRRUED-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000948385093 1212165185 /nfs/dbraw/zinc/16/51/85/1212165185.db2.gz IXDHBLTUYRRUED-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001111281282 1212233100 /nfs/dbraw/zinc/23/31/00/1212233100.db2.gz LMGVZQNACREELP-TVFCKZIOSA-N 2 1 363.502 0.999 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281240 1212233198 /nfs/dbraw/zinc/23/31/98/1212233198.db2.gz JTVGBYXMHVMEIM-XDNAFOTISA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282111 1212235050 /nfs/dbraw/zinc/23/50/50/1212235050.db2.gz BGXWVWGDQFCTLB-VQHPVUNQSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282111 1212235053 /nfs/dbraw/zinc/23/50/53/1212235053.db2.gz BGXWVWGDQFCTLB-VQHPVUNQSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000949197549 1212321202 /nfs/dbraw/zinc/32/12/02/1212321202.db2.gz WOWNBAHLDTVDSQ-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]cn2)C3)C1 ZINC001007480228 1212502258 /nfs/dbraw/zinc/50/22/58/1212502258.db2.gz SJKJPUYWHWIZHK-VCBZYWHSSA-N 2 1 359.474 0.791 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001007479880 1212502354 /nfs/dbraw/zinc/50/23/54/1212502354.db2.gz OKZYADNHAFOJOU-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950673585 1212626770 /nfs/dbraw/zinc/62/67/70/1212626770.db2.gz BMDJDUPKICZCBR-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008206388 1212660009 /nfs/dbraw/zinc/66/00/09/1212660009.db2.gz BKTOHBHYOMFEOO-OAGGEKHMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008206388 1212660012 /nfs/dbraw/zinc/66/00/12/1212660012.db2.gz BKTOHBHYOMFEOO-OAGGEKHMSA-N 2 1 361.490 0.885 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616968 1225400078 /nfs/dbraw/zinc/40/00/78/1225400078.db2.gz YCMREBLBKXXOKE-KZNAEPCWSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221616338 1225400641 /nfs/dbraw/zinc/40/06/41/1225400641.db2.gz KGKWHYSONZZONJ-SZVBFZGTSA-N 2 1 362.518 0.870 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221616338 1225400645 /nfs/dbraw/zinc/40/06/45/1225400645.db2.gz KGKWHYSONZZONJ-SZVBFZGTSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000952343910 1212940504 /nfs/dbraw/zinc/94/05/04/1212940504.db2.gz BSSWLEZXMFYEKF-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000952343910 1212940508 /nfs/dbraw/zinc/94/05/08/1212940508.db2.gz BSSWLEZXMFYEKF-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1nccn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000953952559 1213027238 /nfs/dbraw/zinc/02/72/38/1213027238.db2.gz WJOZDDMWIVQQKV-RHSMWYFYSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000953952559 1213027241 /nfs/dbraw/zinc/02/72/41/1213027241.db2.gz WJOZDDMWIVQQKV-RHSMWYFYSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000953952559 1213027245 /nfs/dbraw/zinc/02/72/45/1213027245.db2.gz WJOZDDMWIVQQKV-RHSMWYFYSA-N 2 1 361.490 0.981 20 0 FCADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000954047992 1213036025 /nfs/dbraw/zinc/03/60/25/1213036025.db2.gz YONSCWUXBBZDFT-NUEKZKHPSA-N 2 1 359.474 0.914 20 0 FCADMP Cc1cncn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000954088753 1213039081 /nfs/dbraw/zinc/03/90/81/1213039081.db2.gz BHTBGRABJWWORI-NVXWUHKLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000954088753 1213039085 /nfs/dbraw/zinc/03/90/85/1213039085.db2.gz BHTBGRABJWWORI-NVXWUHKLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000954088753 1213039090 /nfs/dbraw/zinc/03/90/90/1213039090.db2.gz BHTBGRABJWWORI-NVXWUHKLSA-N 2 1 361.490 0.981 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000954278823 1213054305 /nfs/dbraw/zinc/05/43/05/1213054305.db2.gz PTIPIMWGZASVGE-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954278823 1213054309 /nfs/dbraw/zinc/05/43/09/1213054309.db2.gz PTIPIMWGZASVGE-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954278823 1213054315 /nfs/dbraw/zinc/05/43/15/1213054315.db2.gz PTIPIMWGZASVGE-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954278823 1213054319 /nfs/dbraw/zinc/05/43/19/1213054319.db2.gz PTIPIMWGZASVGE-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954278823 1213054322 /nfs/dbraw/zinc/05/43/22/1213054322.db2.gz PTIPIMWGZASVGE-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000954649398 1213097361 /nfs/dbraw/zinc/09/73/61/1213097361.db2.gz QTRNYBWYPIGTOR-CXAGYDPISA-N 2 1 371.441 0.336 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000954649398 1213097366 /nfs/dbraw/zinc/09/73/66/1213097366.db2.gz QTRNYBWYPIGTOR-CXAGYDPISA-N 2 1 371.441 0.336 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000954846009 1213114167 /nfs/dbraw/zinc/11/41/67/1213114167.db2.gz GBOBLIRUPCFFIC-UKRRQHHQSA-N 2 1 359.474 0.771 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC000956378502 1213188438 /nfs/dbraw/zinc/18/84/38/1213188438.db2.gz MDMSOCYAKQNFIB-RBSFLKMASA-N 2 1 359.474 0.962 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC000956378502 1213188443 /nfs/dbraw/zinc/18/84/43/1213188443.db2.gz MDMSOCYAKQNFIB-RBSFLKMASA-N 2 1 359.474 0.962 20 0 FCADMP CC[C@@H](C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000956414656 1213193825 /nfs/dbraw/zinc/19/38/25/1213193825.db2.gz XYVGOQMDQTXQLC-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000956414656 1213193829 /nfs/dbraw/zinc/19/38/29/1213193829.db2.gz XYVGOQMDQTXQLC-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP C[NH2+]Cc1cn(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)nn1 ZINC000641119544 1213213684 /nfs/dbraw/zinc/21/36/84/1213213684.db2.gz RNGFLFZNUJZBFI-UHFFFAOYSA-N 2 1 372.473 0.741 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788131 1213215992 /nfs/dbraw/zinc/21/59/92/1213215992.db2.gz ROALVTWNYXLWCP-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000641788131 1213215996 /nfs/dbraw/zinc/21/59/96/1213215996.db2.gz ROALVTWNYXLWCP-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641788131 1213215998 /nfs/dbraw/zinc/21/59/98/1213215998.db2.gz ROALVTWNYXLWCP-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1[NH3+] ZINC000641801215 1213216371 /nfs/dbraw/zinc/21/63/71/1213216371.db2.gz BBVSLJFBJCIXDL-RBUKOAKNSA-N 2 1 372.513 0.981 20 0 FCADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276337419 1213418629 /nfs/dbraw/zinc/41/86/29/1213418629.db2.gz CMOQCCDFFMXWFY-LJQANCHMSA-N 2 1 369.506 0.973 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC000960007287 1213577864 /nfs/dbraw/zinc/57/78/64/1213577864.db2.gz CMFOMTOOZWMDEF-SOUVJXGZSA-N 2 1 364.494 0.309 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773746 1225477209 /nfs/dbraw/zinc/47/72/09/1225477209.db2.gz BVCGTZXUAWSKMU-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773746 1225477214 /nfs/dbraw/zinc/47/72/14/1225477214.db2.gz BVCGTZXUAWSKMU-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001010683531 1213808157 /nfs/dbraw/zinc/80/81/57/1213808157.db2.gz WCYUAJADPFYTPS-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001010683531 1213808163 /nfs/dbraw/zinc/80/81/63/1213808163.db2.gz WCYUAJADPFYTPS-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001010683531 1213808166 /nfs/dbraw/zinc/80/81/66/1213808166.db2.gz WCYUAJADPFYTPS-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21)C1CCC1 ZINC000960534851 1213808588 /nfs/dbraw/zinc/80/85/88/1213808588.db2.gz NKROSPCGJSLNIM-DLBZAZTESA-N 2 1 364.490 0.005 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789270 1225481780 /nfs/dbraw/zinc/48/17/80/1225481780.db2.gz NBCPTLZOYDQWSD-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789270 1225481789 /nfs/dbraw/zinc/48/17/89/1225481789.db2.gz NBCPTLZOYDQWSD-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)CC[N@@H+]1C ZINC001011209246 1213850328 /nfs/dbraw/zinc/85/03/28/1213850328.db2.gz QFTIJXSLGBVCJK-UKRRQHHQSA-N 2 1 363.462 0.361 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)CC[N@H+]1C ZINC001011209246 1213850333 /nfs/dbraw/zinc/85/03/33/1213850333.db2.gz QFTIJXSLGBVCJK-UKRRQHHQSA-N 2 1 363.462 0.361 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)CC[N@H+]1C ZINC001011210796 1213850649 /nfs/dbraw/zinc/85/06/49/1213850649.db2.gz RMQMOTGTDHQVFH-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC001011210796 1213850651 /nfs/dbraw/zinc/85/06/51/1213850651.db2.gz RMQMOTGTDHQVFH-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC001011210796 1213850653 /nfs/dbraw/zinc/85/06/53/1213850653.db2.gz RMQMOTGTDHQVFH-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CCC[NH+]2C)C3)CC[N@H+]1C ZINC001013979417 1213913741 /nfs/dbraw/zinc/91/37/41/1213913741.db2.gz GRWHDUOHFMXAFZ-SNCNAIARSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C3)CC[NH+]1C ZINC001013979417 1213913746 /nfs/dbraw/zinc/91/37/46/1213913746.db2.gz GRWHDUOHFMXAFZ-SNCNAIARSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CCC[N@H+]2C)C3)CC[NH+]1C ZINC001013979417 1213913749 /nfs/dbraw/zinc/91/37/49/1213913749.db2.gz GRWHDUOHFMXAFZ-SNCNAIARSA-N 2 1 362.518 0.964 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813463 1225489043 /nfs/dbraw/zinc/48/90/43/1225489043.db2.gz KFUXJJZDGJLLIH-CGTJXYLNSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813463 1225489046 /nfs/dbraw/zinc/48/90/46/1225489046.db2.gz KFUXJJZDGJLLIH-CGTJXYLNSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813463 1225489051 /nfs/dbraw/zinc/48/90/51/1225489051.db2.gz KFUXJJZDGJLLIH-CGTJXYLNSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2cncn2C)CC3)O1 ZINC001016684522 1214034543 /nfs/dbraw/zinc/03/45/43/1214034543.db2.gz DBFMKWFCYNIWEO-OIISXLGYSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2cncn2C)CC3)O1 ZINC001016684522 1214034550 /nfs/dbraw/zinc/03/45/50/1214034550.db2.gz DBFMKWFCYNIWEO-OIISXLGYSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2cnn(C)c2)CC3)O1 ZINC001016686237 1214034679 /nfs/dbraw/zinc/03/46/79/1214034679.db2.gz WALRRPFOYJDHLX-DJIMGWMZSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2cnn(C)c2)CC3)O1 ZINC001016686237 1214034687 /nfs/dbraw/zinc/03/46/87/1214034687.db2.gz WALRRPFOYJDHLX-DJIMGWMZSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCn2cccn2)CC3)O1 ZINC001016687020 1214034708 /nfs/dbraw/zinc/03/47/08/1214034708.db2.gz BXGCUVNKHDDYFR-BRWVUGGUSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCn2cccn2)CC3)O1 ZINC001016687020 1214034713 /nfs/dbraw/zinc/03/47/13/1214034713.db2.gz BXGCUVNKHDDYFR-BRWVUGGUSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC001017343435 1214090609 /nfs/dbraw/zinc/09/06/09/1214090609.db2.gz PJQWDRCDUQXQJM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC001017343435 1214090616 /nfs/dbraw/zinc/09/06/16/1214090616.db2.gz PJQWDRCDUQXQJM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001017343435 1214090624 /nfs/dbraw/zinc/09/06/24/1214090624.db2.gz PJQWDRCDUQXQJM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC=C(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001017343435 1214090633 /nfs/dbraw/zinc/09/06/33/1214090633.db2.gz PJQWDRCDUQXQJM-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC001017544400 1214113257 /nfs/dbraw/zinc/11/32/57/1214113257.db2.gz OLFOVUGAAZCSLF-NVXWUHKLSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC001017544400 1214113262 /nfs/dbraw/zinc/11/32/62/1214113262.db2.gz OLFOVUGAAZCSLF-NVXWUHKLSA-N 2 1 364.490 0.076 20 0 FCADMP CC[C@H](C(=O)N1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001017543938 1214113912 /nfs/dbraw/zinc/11/39/12/1214113912.db2.gz GCTARBXIIAJWIN-DJIMGWMZSA-N 2 1 366.506 0.321 20 0 FCADMP CC[C@H](C(=O)N1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001017543938 1214113918 /nfs/dbraw/zinc/11/39/18/1214113918.db2.gz GCTARBXIIAJWIN-DJIMGWMZSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc4ccccc4n3C)C2)O1 ZINC001019031304 1214182155 /nfs/dbraw/zinc/18/21/55/1214182155.db2.gz JCVYJIGGKZIFAA-RVKKMQEKSA-N 2 1 371.485 0.983 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc4ccccc4n3C)C2)O1 ZINC001019031304 1214182162 /nfs/dbraw/zinc/18/21/62/1214182162.db2.gz JCVYJIGGKZIFAA-RVKKMQEKSA-N 2 1 371.485 0.983 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001019070594 1214190624 /nfs/dbraw/zinc/19/06/24/1214190624.db2.gz VEULSCLKMLMOCT-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001019070594 1214190626 /nfs/dbraw/zinc/19/06/26/1214190626.db2.gz VEULSCLKMLMOCT-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001019070594 1214190630 /nfs/dbraw/zinc/19/06/30/1214190630.db2.gz VEULSCLKMLMOCT-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001019108287 1214198309 /nfs/dbraw/zinc/19/83/09/1214198309.db2.gz LIVJUNWCDOBORZ-DJIMGWMZSA-N 2 1 362.518 0.728 20 0 FCADMP CCn1c(C)nnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961988272 1214392942 /nfs/dbraw/zinc/39/29/42/1214392942.db2.gz FFITUNDYXZJYGP-TWRYWWQQSA-N 2 1 364.494 0.310 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945139 1225545597 /nfs/dbraw/zinc/54/55/97/1225545597.db2.gz GMBQVZXLJCKELL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945139 1225545601 /nfs/dbraw/zinc/54/56/01/1225545601.db2.gz GMBQVZXLJCKELL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945139 1225545606 /nfs/dbraw/zinc/54/56/06/1225545606.db2.gz GMBQVZXLJCKELL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001221945139 1225545611 /nfs/dbraw/zinc/54/56/11/1225545611.db2.gz GMBQVZXLJCKELL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221944976 1225546080 /nfs/dbraw/zinc/54/60/80/1225546080.db2.gz CUSDTHUZTWDCAS-RCCFBDPRSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944976 1225546083 /nfs/dbraw/zinc/54/60/83/1225546083.db2.gz CUSDTHUZTWDCAS-RCCFBDPRSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944976 1225546087 /nfs/dbraw/zinc/54/60/87/1225546087.db2.gz CUSDTHUZTWDCAS-RCCFBDPRSA-N 2 1 366.506 0.014 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936617 1225542664 /nfs/dbraw/zinc/54/26/64/1225542664.db2.gz MWKCNIHCCOWECC-GUDVDZBRSA-N 2 1 365.518 0.648 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221950293 1225549091 /nfs/dbraw/zinc/54/90/91/1225549091.db2.gz AGKILXPOVKZUFL-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221969097 1225556924 /nfs/dbraw/zinc/55/69/24/1225556924.db2.gz QEULQKKTGZVCNE-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221969097 1225556927 /nfs/dbraw/zinc/55/69/27/1225556927.db2.gz QEULQKKTGZVCNE-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221969097 1225556930 /nfs/dbraw/zinc/55/69/30/1225556930.db2.gz QEULQKKTGZVCNE-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP O=C(NC1CC2(C1)CC([NH2+]CCn1cncn1)C2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000964016651 1214887122 /nfs/dbraw/zinc/88/71/22/1214887122.db2.gz PQQSSBSHIRMEPC-BSGOTLCWSA-N 2 1 355.446 0.822 20 0 FCADMP CC[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000964524049 1214973657 /nfs/dbraw/zinc/97/36/57/1214973657.db2.gz QMGQVRQUPMJVMQ-QBPKDAKJSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000964524049 1214973658 /nfs/dbraw/zinc/97/36/58/1214973658.db2.gz QMGQVRQUPMJVMQ-QBPKDAKJSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@H](C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC000965409899 1215060554 /nfs/dbraw/zinc/06/05/54/1215060554.db2.gz RDSYLPQJAPPVDB-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000968010500 1215272719 /nfs/dbraw/zinc/27/27/19/1215272719.db2.gz IVZRARNACSMTCC-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000968010500 1215272723 /nfs/dbraw/zinc/27/27/23/1215272723.db2.gz IVZRARNACSMTCC-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000968010500 1215272725 /nfs/dbraw/zinc/27/27/25/1215272725.db2.gz IVZRARNACSMTCC-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000968010500 1215272730 /nfs/dbraw/zinc/27/27/30/1215272730.db2.gz IVZRARNACSMTCC-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC3CC3)C[C@H]21 ZINC001222050694 1225591321 /nfs/dbraw/zinc/59/13/21/1225591321.db2.gz CWALNBMHSAXCTG-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP O=C1NCC[C@]12C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222527658 1225630526 /nfs/dbraw/zinc/63/05/26/1225630526.db2.gz OGPABEDMBIUIDU-NRFANRHFSA-N 3 1 365.481 0.656 20 0 FCADMP O=C1NCC[C@]12CN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222527658 1225630529 /nfs/dbraw/zinc/63/05/29/1225630529.db2.gz OGPABEDMBIUIDU-NRFANRHFSA-N 2 1 365.481 0.656 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000190683 1216018865 /nfs/dbraw/zinc/01/88/65/1216018865.db2.gz SNRRVNHBSOSRDS-IJEWVQPXSA-N 2 1 366.506 0.201 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000190683 1216018869 /nfs/dbraw/zinc/01/88/69/1216018869.db2.gz SNRRVNHBSOSRDS-IJEWVQPXSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531785 1216236541 /nfs/dbraw/zinc/23/65/41/1216236541.db2.gz JFYJNUQZJADDQN-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531785 1216236552 /nfs/dbraw/zinc/23/65/52/1216236552.db2.gz JFYJNUQZJADDQN-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001050336875 1216309190 /nfs/dbraw/zinc/30/91/90/1216309190.db2.gz SWWNERRYWNRGMM-DTZQCDIJSA-N 2 1 364.494 0.597 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001050336875 1216309196 /nfs/dbraw/zinc/30/91/96/1216309196.db2.gz SWWNERRYWNRGMM-DTZQCDIJSA-N 2 1 364.494 0.597 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccn(C)n3)CC2)O1 ZINC001050337085 1216309454 /nfs/dbraw/zinc/30/94/54/1216309454.db2.gz YMNIWKPBKGSGMA-YFHUEUNASA-N 2 1 363.506 0.904 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccn(C)n3)CC2)O1 ZINC001050337085 1216309459 /nfs/dbraw/zinc/30/94/59/1216309459.db2.gz YMNIWKPBKGSGMA-YFHUEUNASA-N 2 1 363.506 0.904 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)[C@@H](c2ccccc2)C1 ZINC001050675083 1216348526 /nfs/dbraw/zinc/34/85/26/1216348526.db2.gz GNSGBKPWTNSSDD-MSOLQXFVSA-N 2 1 370.497 0.742 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293909 1216426503 /nfs/dbraw/zinc/42/65/03/1216426503.db2.gz ZCBZZEJOYAQDGB-SPYBWZPUSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@@H](O)C[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293909 1216426509 /nfs/dbraw/zinc/42/65/09/1216426509.db2.gz ZCBZZEJOYAQDGB-SPYBWZPUSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@@H](O)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293909 1216426512 /nfs/dbraw/zinc/42/65/12/1216426512.db2.gz ZCBZZEJOYAQDGB-SPYBWZPUSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@@H](O)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293909 1216426515 /nfs/dbraw/zinc/42/65/15/1216426515.db2.gz ZCBZZEJOYAQDGB-SPYBWZPUSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@H](O)C[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293902 1216426882 /nfs/dbraw/zinc/42/68/82/1216426882.db2.gz ZCBZZEJOYAQDGB-QMTMVMCOSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@H](O)C[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293902 1216426889 /nfs/dbraw/zinc/42/68/89/1216426889.db2.gz ZCBZZEJOYAQDGB-QMTMVMCOSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@H](O)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293902 1216426893 /nfs/dbraw/zinc/42/68/93/1216426893.db2.gz ZCBZZEJOYAQDGB-QMTMVMCOSA-N 2 1 361.486 0.761 20 0 FCADMP C[C@H](O)C[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)cccc2C1 ZINC001051293902 1216426898 /nfs/dbraw/zinc/42/68/98/1216426898.db2.gz ZCBZZEJOYAQDGB-QMTMVMCOSA-N 2 1 361.486 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(CC)n3)C2)CC[N@@H+]1C ZINC001051624235 1216468621 /nfs/dbraw/zinc/46/86/21/1216468621.db2.gz NXFAARUTSTVYLQ-IXDOHACOSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(CC)n3)C2)CC[N@H+]1C ZINC001051624235 1216468625 /nfs/dbraw/zinc/46/86/25/1216468625.db2.gz NXFAARUTSTVYLQ-IXDOHACOSA-N 2 1 364.494 0.345 20 0 FCADMP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625285 1216470313 /nfs/dbraw/zinc/47/03/13/1216470313.db2.gz YLHUMRZCZAIQCC-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)cc3)C2)O1 ZINC001051681205 1216474830 /nfs/dbraw/zinc/47/48/30/1216474830.db2.gz UJPDBVNKUYLKGT-FHLIZLRMSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)cc3)C2)O1 ZINC001051681205 1216474835 /nfs/dbraw/zinc/47/48/35/1216474835.db2.gz UJPDBVNKUYLKGT-FHLIZLRMSA-N 2 1 365.449 0.862 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057741426 1216532454 /nfs/dbraw/zinc/53/24/54/1216532454.db2.gz SDWNSJISFSRMLS-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057741426 1216532465 /nfs/dbraw/zinc/53/24/65/1216532465.db2.gz SDWNSJISFSRMLS-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057741426 1216532476 /nfs/dbraw/zinc/53/24/76/1216532476.db2.gz SDWNSJISFSRMLS-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CN(C(=O)c1cccc(-n2cncn2)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000827347653 1216589208 /nfs/dbraw/zinc/58/92/08/1216589208.db2.gz SBAZKQGISUJPQB-INIZCTEOSA-N 2 1 369.473 0.903 20 0 FCADMP CN(C(=O)c1cccc(-n2cncn2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000827347653 1216589213 /nfs/dbraw/zinc/58/92/13/1216589213.db2.gz SBAZKQGISUJPQB-INIZCTEOSA-N 2 1 369.473 0.903 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001058038697 1216623947 /nfs/dbraw/zinc/62/39/47/1216623947.db2.gz DNPAMZQYXOPFJY-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001058038697 1216623950 /nfs/dbraw/zinc/62/39/50/1216623950.db2.gz DNPAMZQYXOPFJY-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001058038697 1216623953 /nfs/dbraw/zinc/62/39/53/1216623953.db2.gz DNPAMZQYXOPFJY-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC1(C)CN(C/C=C\CN2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682035596 1216656201 /nfs/dbraw/zinc/65/62/01/1216656201.db2.gz NKRZZFZMERJAOE-WAYWQWQTSA-N 2 1 368.566 0.320 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223174708 1225688585 /nfs/dbraw/zinc/68/85/85/1225688585.db2.gz PSILCIGMHHKXEG-AYBZRNKSSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223174708 1225688588 /nfs/dbraw/zinc/68/85/88/1225688588.db2.gz PSILCIGMHHKXEG-AYBZRNKSSA-N 2 1 362.518 0.920 20 0 FCADMP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC(=O)CC)CC2 ZINC001276873798 1225691657 /nfs/dbraw/zinc/69/16/57/1225691657.db2.gz UMXRNFCOCRQPGK-INIZCTEOSA-N 2 1 367.490 0.631 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902533 1216827739 /nfs/dbraw/zinc/82/77/39/1216827739.db2.gz BWYMXPCSAYPFKB-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902533 1216827742 /nfs/dbraw/zinc/82/77/42/1216827742.db2.gz BWYMXPCSAYPFKB-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902533 1216827743 /nfs/dbraw/zinc/82/77/43/1216827743.db2.gz BWYMXPCSAYPFKB-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902533 1216827747 /nfs/dbraw/zinc/82/77/47/1216827747.db2.gz BWYMXPCSAYPFKB-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCCC1 ZINC001069927137 1216848066 /nfs/dbraw/zinc/84/80/66/1216848066.db2.gz LJYAXUHWTDETGD-CVEARBPZSA-N 2 1 364.494 0.267 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCCC1 ZINC001069927137 1216848068 /nfs/dbraw/zinc/84/80/68/1216848068.db2.gz LJYAXUHWTDETGD-CVEARBPZSA-N 2 1 364.494 0.267 20 0 FCADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944368 1216857487 /nfs/dbraw/zinc/85/74/87/1216857487.db2.gz LWNGPUHSBQSMMV-ZACQAIPSSA-N 2 1 362.478 0.283 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944368 1216857489 /nfs/dbraw/zinc/85/74/89/1216857489.db2.gz LWNGPUHSBQSMMV-ZACQAIPSSA-N 2 1 362.478 0.283 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944368 1216857492 /nfs/dbraw/zinc/85/74/92/1216857492.db2.gz LWNGPUHSBQSMMV-ZACQAIPSSA-N 2 1 362.478 0.283 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944368 1216857494 /nfs/dbraw/zinc/85/74/94/1216857494.db2.gz LWNGPUHSBQSMMV-ZACQAIPSSA-N 2 1 362.478 0.283 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969469 1216875682 /nfs/dbraw/zinc/87/56/82/1216875682.db2.gz XOJVQQXYXXURQX-OAGGEKHMSA-N 2 1 362.478 0.283 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969469 1216875683 /nfs/dbraw/zinc/87/56/83/1216875683.db2.gz XOJVQQXYXXURQX-OAGGEKHMSA-N 2 1 362.478 0.283 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979449 1216881477 /nfs/dbraw/zinc/88/14/77/1216881477.db2.gz HMUINZIYKAJBGQ-XYPHTWIQSA-N 2 1 369.429 0.616 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069980011 1216881923 /nfs/dbraw/zinc/88/19/23/1216881923.db2.gz XPRCXIYKTCSGJF-XKQJLSEDSA-N 2 1 369.429 0.616 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006062 1216893279 /nfs/dbraw/zinc/89/32/79/1216893279.db2.gz BCXYNZIBPUJWOU-ZACQAIPSSA-N 2 1 364.494 0.124 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006062 1216893280 /nfs/dbraw/zinc/89/32/80/1216893280.db2.gz BCXYNZIBPUJWOU-ZACQAIPSSA-N 2 1 364.494 0.124 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070006062 1216893281 /nfs/dbraw/zinc/89/32/81/1216893281.db2.gz BCXYNZIBPUJWOU-ZACQAIPSSA-N 2 1 364.494 0.124 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006445 1216893767 /nfs/dbraw/zinc/89/37/67/1216893767.db2.gz WLYYLWVPBQAVMY-IKGGRYGDSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006445 1216893768 /nfs/dbraw/zinc/89/37/68/1216893768.db2.gz WLYYLWVPBQAVMY-IKGGRYGDSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006445 1216893771 /nfs/dbraw/zinc/89/37/71/1216893771.db2.gz WLYYLWVPBQAVMY-IKGGRYGDSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006445 1216893774 /nfs/dbraw/zinc/89/37/74/1216893774.db2.gz WLYYLWVPBQAVMY-IKGGRYGDSA-N 2 1 364.494 0.385 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506070 1225712101 /nfs/dbraw/zinc/71/21/01/1225712101.db2.gz XJPBPFCOCXUHKC-JZXOWHBKSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506070 1225712107 /nfs/dbraw/zinc/71/21/07/1225712107.db2.gz XJPBPFCOCXUHKC-JZXOWHBKSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223506070 1225712109 /nfs/dbraw/zinc/71/21/09/1225712109.db2.gz XJPBPFCOCXUHKC-JZXOWHBKSA-N 2 1 362.518 0.777 20 0 FCADMP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H](C)C(C)=O)CC2 ZINC001276899433 1225715359 /nfs/dbraw/zinc/71/53/59/1225715359.db2.gz HRBWBYDIIWIXDH-GDBMZVCRSA-N 2 1 367.490 0.629 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223697721 1225727667 /nfs/dbraw/zinc/72/76/67/1225727667.db2.gz ILGAGGUPEROXRL-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@@H+]1C ZINC001041302072 1217273402 /nfs/dbraw/zinc/27/34/02/1217273402.db2.gz TUXASPXXMCDOTJ-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@H+]1C ZINC001041302072 1217273404 /nfs/dbraw/zinc/27/34/04/1217273404.db2.gz TUXASPXXMCDOTJ-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001041302072 1217273407 /nfs/dbraw/zinc/27/34/07/1217273407.db2.gz TUXASPXXMCDOTJ-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001041302072 1217273411 /nfs/dbraw/zinc/27/34/11/1217273411.db2.gz TUXASPXXMCDOTJ-YQVWRLOYSA-N 2 1 360.506 0.970 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939972 1225752407 /nfs/dbraw/zinc/75/24/07/1225752407.db2.gz LXGAWQDKKUXVTN-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939972 1225752411 /nfs/dbraw/zinc/75/24/11/1225752411.db2.gz LXGAWQDKKUXVTN-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939972 1225752413 /nfs/dbraw/zinc/75/24/13/1225752413.db2.gz LXGAWQDKKUXVTN-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP CCCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001224037708 1225753342 /nfs/dbraw/zinc/75/33/42/1225753342.db2.gz YBBUZECAPMACOY-WBVHZDCISA-N 2 1 361.490 0.802 20 0 FCADMP C[NH+](C)CCN1Cc2ccccc2CC2(CC[NH+](CC(N)=O)CC2)C1=O ZINC001276965442 1225775849 /nfs/dbraw/zinc/77/58/49/1225775849.db2.gz LIHSZHKQVMFNDE-UHFFFAOYSA-N 2 1 358.486 0.700 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020700 1217923187 /nfs/dbraw/zinc/92/31/87/1217923187.db2.gz PWCQUIMUPBQVFE-NBMRYCAZSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020700 1217923194 /nfs/dbraw/zinc/92/31/94/1217923194.db2.gz PWCQUIMUPBQVFE-NBMRYCAZSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001045476781 1217932786 /nfs/dbraw/zinc/93/27/86/1217932786.db2.gz DBVNKZXOBJOZKJ-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001045476781 1217932789 /nfs/dbraw/zinc/93/27/89/1217932789.db2.gz DBVNKZXOBJOZKJ-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046039095 1217989642 /nfs/dbraw/zinc/98/96/42/1217989642.db2.gz RRXGMBMUFQELJO-GUDVDZBRSA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039095 1217989647 /nfs/dbraw/zinc/98/96/47/1217989647.db2.gz RRXGMBMUFQELJO-GUDVDZBRSA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039095 1217989648 /nfs/dbraw/zinc/98/96/48/1217989648.db2.gz RRXGMBMUFQELJO-GUDVDZBRSA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039095 1217989650 /nfs/dbraw/zinc/98/96/50/1217989650.db2.gz RRXGMBMUFQELJO-GUDVDZBRSA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039095 1217989655 /nfs/dbraw/zinc/98/96/55/1217989655.db2.gz RRXGMBMUFQELJO-GUDVDZBRSA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000900697829 1218026572 /nfs/dbraw/zinc/02/65/72/1218026572.db2.gz DIVYEYIAIBEWFI-UHFFFAOYSA-N 2 1 367.582 0.936 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046417499 1218035474 /nfs/dbraw/zinc/03/54/74/1218035474.db2.gz MUWITLYICQXLEJ-SIIHOXLZSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046417499 1218035479 /nfs/dbraw/zinc/03/54/79/1218035479.db2.gz MUWITLYICQXLEJ-SIIHOXLZSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046417499 1218035483 /nfs/dbraw/zinc/03/54/83/1218035483.db2.gz MUWITLYICQXLEJ-SIIHOXLZSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046417499 1218035487 /nfs/dbraw/zinc/03/54/87/1218035487.db2.gz MUWITLYICQXLEJ-SIIHOXLZSA-N 2 1 365.478 0.610 20 0 FCADMP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900807570 1218041123 /nfs/dbraw/zinc/04/11/23/1218041123.db2.gz UQPBALWLYHZGRI-YLJYHZDGSA-N 2 1 373.545 0.798 20 0 FCADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000900899995 1218051019 /nfs/dbraw/zinc/05/10/19/1218051019.db2.gz UWHVGURJJGPRAD-OAQYLSRUSA-N 2 1 373.497 0.850 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428558 1218142639 /nfs/dbraw/zinc/14/26/39/1218142639.db2.gz LJEDZGCXTSEXBL-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428558 1218142644 /nfs/dbraw/zinc/14/26/44/1218142644.db2.gz LJEDZGCXTSEXBL-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428558 1218142650 /nfs/dbraw/zinc/14/26/50/1218142650.db2.gz LJEDZGCXTSEXBL-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428558 1218142653 /nfs/dbraw/zinc/14/26/53/1218142653.db2.gz LJEDZGCXTSEXBL-XGXHKWSGSA-N 2 1 361.486 0.718 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)n1 ZINC001096348139 1218255661 /nfs/dbraw/zinc/25/56/61/1218255661.db2.gz CSZKKHJQLJRODH-MHORFTMASA-N 2 1 360.506 0.958 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001225345659 1225807288 /nfs/dbraw/zinc/80/72/88/1225807288.db2.gz CEUWZXREEQOJGO-RBSFLKMASA-N 2 1 365.478 0.040 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829019 1218322619 /nfs/dbraw/zinc/32/26/19/1218322619.db2.gz FOOWSHSSKOITGY-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829019 1218322625 /nfs/dbraw/zinc/32/26/25/1218322625.db2.gz FOOWSHSSKOITGY-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829019 1218322631 /nfs/dbraw/zinc/32/26/31/1218322631.db2.gz FOOWSHSSKOITGY-ZJPYXAASSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891983 1218336555 /nfs/dbraw/zinc/33/65/55/1218336555.db2.gz YRDAUHQVXQFMDW-NKGKWGDASA-N 2 1 361.490 0.338 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891983 1218336560 /nfs/dbraw/zinc/33/65/60/1218336560.db2.gz YRDAUHQVXQFMDW-NKGKWGDASA-N 2 1 361.490 0.338 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891983 1218336566 /nfs/dbraw/zinc/33/65/66/1218336566.db2.gz YRDAUHQVXQFMDW-NKGKWGDASA-N 2 1 361.490 0.338 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891983 1218336574 /nfs/dbraw/zinc/33/65/74/1218336574.db2.gz YRDAUHQVXQFMDW-NKGKWGDASA-N 2 1 361.490 0.338 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(N)ccnc3F)C2)C1=O ZINC001277054223 1225815539 /nfs/dbraw/zinc/81/55/39/1225815539.db2.gz DRPWBFZDZRIOPG-SFHVURJKSA-N 2 1 363.437 0.706 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000803541323 1218428412 /nfs/dbraw/zinc/42/84/12/1218428412.db2.gz NCJNIGWCZKTFCE-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](c1nc(N)nc(N(C)C)n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507113 1218431307 /nfs/dbraw/zinc/43/13/07/1218431307.db2.gz NLHYGVQKAZLCHH-AEGPPILISA-N 2 1 360.510 0.481 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550075 1218487189 /nfs/dbraw/zinc/48/71/89/1218487189.db2.gz VXABAUJJACRLQA-XMTFNYHQSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550075 1218487197 /nfs/dbraw/zinc/48/71/97/1218487197.db2.gz VXABAUJJACRLQA-XMTFNYHQSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCn2cccn2)O1 ZINC001049550075 1218487204 /nfs/dbraw/zinc/48/72/04/1218487204.db2.gz VXABAUJJACRLQA-XMTFNYHQSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCn2cccn2)O1 ZINC001049550075 1218487207 /nfs/dbraw/zinc/48/72/07/1218487207.db2.gz VXABAUJJACRLQA-XMTFNYHQSA-N 2 1 361.490 0.668 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903770234 1218521818 /nfs/dbraw/zinc/52/18/18/1218521818.db2.gz UURRORXWARHIQM-AWEZNQCLSA-N 2 1 371.489 0.995 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001096611621 1218578972 /nfs/dbraw/zinc/57/89/72/1218578972.db2.gz RHCSEHKOBICADU-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001096611621 1218578977 /nfs/dbraw/zinc/57/89/77/1218578977.db2.gz RHCSEHKOBICADU-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001096611621 1218578980 /nfs/dbraw/zinc/57/89/80/1218578980.db2.gz RHCSEHKOBICADU-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096611621 1218578985 /nfs/dbraw/zinc/57/89/85/1218578985.db2.gz RHCSEHKOBICADU-QZWWFDLISA-N 2 1 363.506 0.608 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1ccc2c[nH+]cn2c1 ZINC001097549091 1218817307 /nfs/dbraw/zinc/81/73/07/1218817307.db2.gz FNLZUQQMTCCPFR-OIISXLGYSA-N 2 1 351.414 0.961 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055578284 1219085634 /nfs/dbraw/zinc/08/56/34/1219085634.db2.gz LYJFYGNRTUXJCE-RZQQEMMASA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055580288 1219086127 /nfs/dbraw/zinc/08/61/27/1219086127.db2.gz BXPWJGMMPPVAOI-RCCFBDPRSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001055583527 1219088484 /nfs/dbraw/zinc/08/84/84/1219088484.db2.gz REXSOPQTCHJHIG-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000804058143 1219112020 /nfs/dbraw/zinc/11/20/20/1219112020.db2.gz SZBIUWBOELAWBT-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000804058141 1219112123 /nfs/dbraw/zinc/11/21/23/1219112123.db2.gz SZBIUWBOELAWBT-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000804060990 1219115282 /nfs/dbraw/zinc/11/52/82/1219115282.db2.gz QWDYKISQIJEUOX-GVDBMIGSSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001070098627 1219169924 /nfs/dbraw/zinc/16/99/24/1219169924.db2.gz JNRRCHVJFHYJAE-CABCVRRESA-N 2 1 368.432 0.761 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001070098627 1219169932 /nfs/dbraw/zinc/16/99/32/1219169932.db2.gz JNRRCHVJFHYJAE-CABCVRRESA-N 2 1 368.432 0.761 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070132670 1219207007 /nfs/dbraw/zinc/20/70/07/1219207007.db2.gz NMAHTUNOIPSAFY-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070132670 1219207010 /nfs/dbraw/zinc/20/70/10/1219207010.db2.gz NMAHTUNOIPSAFY-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132670 1219207011 /nfs/dbraw/zinc/20/70/11/1219207011.db2.gz NMAHTUNOIPSAFY-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001227454821 1225875684 /nfs/dbraw/zinc/87/56/84/1225875684.db2.gz VKVQJFSOZHHVCU-OKZBNKHCSA-N 2 1 371.522 0.321 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)ncn1 ZINC001070158503 1219245384 /nfs/dbraw/zinc/24/53/84/1219245384.db2.gz NHKZGHRNIZFHOF-IKGGRYGDSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)ncn1 ZINC001070158503 1219245389 /nfs/dbraw/zinc/24/53/89/1219245389.db2.gz NHKZGHRNIZFHOF-IKGGRYGDSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001227524679 1225878217 /nfs/dbraw/zinc/87/82/17/1225878217.db2.gz CAEVDBGEVDZDLQ-BRWVUGGUSA-N 2 1 360.462 0.466 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209021 1219294915 /nfs/dbraw/zinc/29/49/15/1219294915.db2.gz JAVPEPPHIKJYST-IKGGRYGDSA-N 2 1 364.469 0.996 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1n1ccnn1 ZINC001070281247 1219346414 /nfs/dbraw/zinc/34/64/14/1219346414.db2.gz MWMHXRCYXRJWOG-HCXYKTFWSA-N 2 1 368.485 0.985 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)ncn1 ZINC001070327692 1219378530 /nfs/dbraw/zinc/37/85/30/1219378530.db2.gz BRAXYNDQMLTABL-SJORKVTESA-N 2 1 370.461 0.014 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070372812 1219402342 /nfs/dbraw/zinc/40/23/42/1219402342.db2.gz IKTPQMLAXQLGCG-NUJGCVRESA-N 2 1 368.497 0.916 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070378197 1219404970 /nfs/dbraw/zinc/40/49/70/1219404970.db2.gz DJIUSQXVQGWHJJ-GMBSWORKSA-N 2 1 368.497 0.773 20 0 FCADMP COCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412569 1219410162 /nfs/dbraw/zinc/41/01/62/1219410162.db2.gz DQZDISOWJDWSDM-IIAWOOMASA-N 2 1 365.478 0.181 20 0 FCADMP COCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412569 1219410166 /nfs/dbraw/zinc/41/01/66/1219410166.db2.gz DQZDISOWJDWSDM-IIAWOOMASA-N 2 1 365.478 0.181 20 0 FCADMP COCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412569 1219410167 /nfs/dbraw/zinc/41/01/67/1219410167.db2.gz DQZDISOWJDWSDM-IIAWOOMASA-N 2 1 365.478 0.181 20 0 FCADMP COCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412569 1219410173 /nfs/dbraw/zinc/41/01/73/1219410173.db2.gz DQZDISOWJDWSDM-IIAWOOMASA-N 2 1 365.478 0.181 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070505716 1219443708 /nfs/dbraw/zinc/44/37/08/1219443708.db2.gz FOFYYXUBRQPKFU-CYGHRXIMSA-N 2 1 363.506 0.679 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070505716 1219443712 /nfs/dbraw/zinc/44/37/12/1219443712.db2.gz FOFYYXUBRQPKFU-CYGHRXIMSA-N 2 1 363.506 0.679 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070566323 1219472727 /nfs/dbraw/zinc/47/27/27/1219472727.db2.gz KFHVDPSSNAZUEU-JQHSSLGASA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070566323 1219472729 /nfs/dbraw/zinc/47/27/29/1219472729.db2.gz KFHVDPSSNAZUEU-JQHSSLGASA-N 2 1 363.506 0.681 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCO ZINC001070655558 1219510497 /nfs/dbraw/zinc/51/04/97/1219510497.db2.gz ROMFJVNYTLQUJU-RBSFLKMASA-N 2 1 358.446 0.071 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)O1 ZINC001070661147 1219513048 /nfs/dbraw/zinc/51/30/48/1219513048.db2.gz XLGOYXPWHBPRFW-GFOCRRMGSA-N 2 1 361.490 0.433 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)O1 ZINC001070661147 1219513051 /nfs/dbraw/zinc/51/30/51/1219513051.db2.gz XLGOYXPWHBPRFW-GFOCRRMGSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070663174 1219514271 /nfs/dbraw/zinc/51/42/71/1219514271.db2.gz QLRROQSGLLEYOH-BRWVUGGUSA-N 2 1 363.506 0.417 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682298 1219523051 /nfs/dbraw/zinc/52/30/51/1219523051.db2.gz TVLPZMXSKKODSN-JFIYKMOQSA-N 2 1 363.506 0.823 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682298 1219523053 /nfs/dbraw/zinc/52/30/53/1219523053.db2.gz TVLPZMXSKKODSN-JFIYKMOQSA-N 2 1 363.506 0.823 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071080145 1219601540 /nfs/dbraw/zinc/60/15/40/1219601540.db2.gz OSNLRKVYBHAWFQ-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071080145 1219601541 /nfs/dbraw/zinc/60/15/41/1219601541.db2.gz OSNLRKVYBHAWFQ-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP COc1cc(CNC(=O)CC[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000725716456 1219616903 /nfs/dbraw/zinc/61/69/03/1219616903.db2.gz QOPYVFBUSWTEFA-UHFFFAOYSA-N 2 1 365.474 0.974 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)O1 ZINC001073491211 1219664824 /nfs/dbraw/zinc/66/48/24/1219664824.db2.gz QZOJONUEBYIMJJ-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)O1 ZINC001073491211 1219664826 /nfs/dbraw/zinc/66/48/26/1219664826.db2.gz QZOJONUEBYIMJJ-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)c1 ZINC001098459867 1219787414 /nfs/dbraw/zinc/78/74/14/1219787414.db2.gz UFSFTERGDDHMSV-ZJPYXAASSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)c1 ZINC001098459867 1219787418 /nfs/dbraw/zinc/78/74/18/1219787418.db2.gz UFSFTERGDDHMSV-ZJPYXAASSA-N 2 1 356.470 0.972 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@H+]1C ZINC001098675702 1219809997 /nfs/dbraw/zinc/80/99/97/1219809997.db2.gz GAZLEGKHQYYFDS-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cccn2)C3)O1 ZINC001098898006 1219857003 /nfs/dbraw/zinc/85/70/03/1219857003.db2.gz AZCWMPRLWQHDIU-NTDBWNAOSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cccn2)C3)O1 ZINC001098898006 1219857005 /nfs/dbraw/zinc/85/70/05/1219857005.db2.gz AZCWMPRLWQHDIU-NTDBWNAOSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cccn2)C3)O1 ZINC001098898006 1219857008 /nfs/dbraw/zinc/85/70/08/1219857008.db2.gz AZCWMPRLWQHDIU-NTDBWNAOSA-N 2 1 361.490 0.573 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cccn2)C3)O1 ZINC001098898006 1219857011 /nfs/dbraw/zinc/85/70/11/1219857011.db2.gz AZCWMPRLWQHDIU-NTDBWNAOSA-N 2 1 361.490 0.573 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001098984882 1219881596 /nfs/dbraw/zinc/88/15/96/1219881596.db2.gz WRMBZHLSKLUFGK-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001098984882 1219881599 /nfs/dbraw/zinc/88/15/99/1219881599.db2.gz WRMBZHLSKLUFGK-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001098984882 1219881602 /nfs/dbraw/zinc/88/16/02/1219881602.db2.gz WRMBZHLSKLUFGK-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001098984882 1219881605 /nfs/dbraw/zinc/88/16/05/1219881605.db2.gz WRMBZHLSKLUFGK-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CC2)C3)CC[N@H+]1C ZINC001098996541 1219884248 /nfs/dbraw/zinc/88/42/48/1219884248.db2.gz PDSKISJUARDEBJ-ULMVMLMRSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001098996541 1219884249 /nfs/dbraw/zinc/88/42/49/1219884249.db2.gz PDSKISJUARDEBJ-ULMVMLMRSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001098996541 1219884252 /nfs/dbraw/zinc/88/42/52/1219884252.db2.gz PDSKISJUARDEBJ-ULMVMLMRSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099008271 1219887459 /nfs/dbraw/zinc/88/74/59/1219887459.db2.gz GEQCQGKDLVZIAG-IIMJZQEZSA-N 2 1 362.518 0.966 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001099007995 1219887735 /nfs/dbraw/zinc/88/77/35/1219887735.db2.gz BYUSETXEMFMUMJ-JXFKEZNVSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001099058846 1219897500 /nfs/dbraw/zinc/89/75/00/1219897500.db2.gz NRAUTAMXHMBKLX-KHYOSLBOSA-N 2 1 359.474 0.866 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001099058846 1219897501 /nfs/dbraw/zinc/89/75/01/1219897501.db2.gz NRAUTAMXHMBKLX-KHYOSLBOSA-N 2 1 359.474 0.866 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCCNC2=O)C3)CC1 ZINC001099094013 1219909728 /nfs/dbraw/zinc/90/97/28/1219909728.db2.gz PXYOXJCYUOTQJF-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228595797 1225935332 /nfs/dbraw/zinc/93/53/32/1225935332.db2.gz ZXPZFYSFLTWCTG-GVDBMIGSSA-N 2 1 368.522 0.640 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)C2 ZINC001228604240 1225935720 /nfs/dbraw/zinc/93/57/20/1225935720.db2.gz ZHCGOJYBWMJULS-DJIMGWMZSA-N 2 1 361.490 0.859 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001099499596 1220015838 /nfs/dbraw/zinc/01/58/38/1220015838.db2.gz KQNYVWQYVDIQBA-VKJFTORMSA-N 2 1 361.494 0.270 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001099499596 1220015843 /nfs/dbraw/zinc/01/58/43/1220015843.db2.gz KQNYVWQYVDIQBA-VKJFTORMSA-N 2 1 361.494 0.270 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099535635 1220026075 /nfs/dbraw/zinc/02/60/75/1220026075.db2.gz QMPIBZVQQNLKPX-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099535587 1220026179 /nfs/dbraw/zinc/02/61/79/1220026179.db2.gz OXORKTBBFCNMGO-FCEWJHQRSA-N 2 1 359.474 0.688 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171635 1220208004 /nfs/dbraw/zinc/20/80/04/1220208004.db2.gz HAAASFIMPZWDAK-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171635 1220208006 /nfs/dbraw/zinc/20/80/06/1220208006.db2.gz HAAASFIMPZWDAK-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@@]2(C)C1 ZINC001101171730 1220209187 /nfs/dbraw/zinc/20/91/87/1220209187.db2.gz JLQYPYSVIJRLSJ-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277383 1220262988 /nfs/dbraw/zinc/26/29/88/1220262988.db2.gz FSCBXQRQQWZPHS-MDZRGWNJSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC1 ZINC001101342605 1220295257 /nfs/dbraw/zinc/29/52/57/1220295257.db2.gz CNEGTPPZICMKMY-APWZRJJASA-N 2 1 362.518 0.731 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344816 1220295860 /nfs/dbraw/zinc/29/58/60/1220295860.db2.gz FLFSUYQDNPBXND-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392723 1220319230 /nfs/dbraw/zinc/31/92/30/1220319230.db2.gz AXCRMOQPEKZUJL-MDZRGWNJSA-N 2 1 366.506 0.143 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392723 1220319233 /nfs/dbraw/zinc/31/92/33/1220319233.db2.gz AXCRMOQPEKZUJL-MDZRGWNJSA-N 2 1 366.506 0.143 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101393820 1220319786 /nfs/dbraw/zinc/31/97/86/1220319786.db2.gz HKTGSPSFJAHRNH-MJGOQNOKSA-N 2 1 364.490 0.761 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101393820 1220319791 /nfs/dbraw/zinc/31/97/91/1220319791.db2.gz HKTGSPSFJAHRNH-MJGOQNOKSA-N 2 1 364.490 0.761 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417628 1220331969 /nfs/dbraw/zinc/33/19/69/1220331969.db2.gz YYPJIYKXJAHBCA-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417628 1220331975 /nfs/dbraw/zinc/33/19/75/1220331975.db2.gz YYPJIYKXJAHBCA-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101417628 1220331978 /nfs/dbraw/zinc/33/19/78/1220331978.db2.gz YYPJIYKXJAHBCA-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460431 1220359234 /nfs/dbraw/zinc/35/92/34/1220359234.db2.gz FGVXMMANGNVIRS-QINHECLXSA-N 2 1 364.534 0.881 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460431 1220359238 /nfs/dbraw/zinc/35/92/38/1220359238.db2.gz FGVXMMANGNVIRS-QINHECLXSA-N 2 1 364.534 0.881 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101460431 1220359242 /nfs/dbraw/zinc/35/92/42/1220359242.db2.gz FGVXMMANGNVIRS-QINHECLXSA-N 2 1 364.534 0.881 20 0 FCADMP COCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccn12 ZINC001101628025 1220378671 /nfs/dbraw/zinc/37/86/71/1220378671.db2.gz TVOHMAHQPMXUQZ-OAGGEKHMSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976320 1220449929 /nfs/dbraw/zinc/44/99/29/1220449929.db2.gz WXQISATYPFXTSD-ZTFGCOKTSA-N 2 1 362.518 0.539 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045962 1220476332 /nfs/dbraw/zinc/47/63/32/1220476332.db2.gz FAFZBYOINKBLQO-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102049809 1220477337 /nfs/dbraw/zinc/47/73/37/1220477337.db2.gz FCAHIGDKPHDAFX-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102049809 1220477341 /nfs/dbraw/zinc/47/73/41/1220477341.db2.gz FCAHIGDKPHDAFX-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102049809 1220477343 /nfs/dbraw/zinc/47/73/43/1220477343.db2.gz FCAHIGDKPHDAFX-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085794 1220491073 /nfs/dbraw/zinc/49/10/73/1220491073.db2.gz BIQDSKVHCJPWMC-BZUAXINKSA-N 2 1 368.522 0.163 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086068 1220491265 /nfs/dbraw/zinc/49/12/65/1220491265.db2.gz OMUWOGRTOYYXEL-ZACQAIPSSA-N 2 1 371.522 0.036 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108663 1220498989 /nfs/dbraw/zinc/49/89/89/1220498989.db2.gz WQPINNXFWPELEK-INMHGKMJSA-N 2 1 359.474 0.481 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108390 1220499357 /nfs/dbraw/zinc/49/93/57/1220499357.db2.gz KITLCEGJFIGUQN-JFIYKMOQSA-N 2 1 364.490 0.599 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001102141111 1220521456 /nfs/dbraw/zinc/52/14/56/1220521456.db2.gz YWAXYUGYGYJZDU-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102155762 1220528248 /nfs/dbraw/zinc/52/82/48/1220528248.db2.gz DANQRBNFAOMXKP-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102155762 1220528255 /nfs/dbraw/zinc/52/82/55/1220528255.db2.gz DANQRBNFAOMXKP-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001102156430 1220528291 /nfs/dbraw/zinc/52/82/91/1220528291.db2.gz TYJWAUMNBVPREV-RHSMWYFYSA-N 2 1 357.458 0.775 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001102156430 1220528299 /nfs/dbraw/zinc/52/82/99/1220528299.db2.gz TYJWAUMNBVPREV-RHSMWYFYSA-N 2 1 357.458 0.775 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171395 1220533164 /nfs/dbraw/zinc/53/31/64/1220533164.db2.gz VQHXENYRMYZWPP-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171395 1220533172 /nfs/dbraw/zinc/53/31/72/1220533172.db2.gz VQHXENYRMYZWPP-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171395 1220533183 /nfs/dbraw/zinc/53/31/83/1220533183.db2.gz VQHXENYRMYZWPP-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189099 1220542622 /nfs/dbraw/zinc/54/26/22/1220542622.db2.gz WBADUCBCRVBEKV-IDHHARJASA-N 2 1 362.518 0.824 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290456 1220576001 /nfs/dbraw/zinc/57/60/01/1220576001.db2.gz FIJOBHCODONSLX-NVXWUHKLSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292246 1220576146 /nfs/dbraw/zinc/57/61/46/1220576146.db2.gz FSGSTXBYOBQVKE-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290926 1220576691 /nfs/dbraw/zinc/57/66/91/1220576691.db2.gz ZCSLLAYVDHLMQZ-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330200 1220585111 /nfs/dbraw/zinc/58/51/11/1220585111.db2.gz IPFQPHNDTGLNMF-BRWVUGGUSA-N 2 1 369.554 0.964 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102366551 1220594666 /nfs/dbraw/zinc/59/46/66/1220594666.db2.gz JFPLDHHTMKKBDN-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102366551 1220594670 /nfs/dbraw/zinc/59/46/70/1220594670.db2.gz JFPLDHHTMKKBDN-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102366551 1220594678 /nfs/dbraw/zinc/59/46/78/1220594678.db2.gz JFPLDHHTMKKBDN-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370361 1220595558 /nfs/dbraw/zinc/59/55/58/1220595558.db2.gz YBXVEPVLFOYHRO-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370361 1220595563 /nfs/dbraw/zinc/59/55/63/1220595563.db2.gz YBXVEPVLFOYHRO-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001102370361 1220595567 /nfs/dbraw/zinc/59/55/67/1220595567.db2.gz YBXVEPVLFOYHRO-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377334 1220599788 /nfs/dbraw/zinc/59/97/88/1220599788.db2.gz ZWESZODLAJVNSW-MGPQQGTHSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377334 1220599797 /nfs/dbraw/zinc/59/97/97/1220599797.db2.gz ZWESZODLAJVNSW-MGPQQGTHSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377334 1220599804 /nfs/dbraw/zinc/59/98/04/1220599804.db2.gz ZWESZODLAJVNSW-MGPQQGTHSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376905 1220600275 /nfs/dbraw/zinc/60/02/75/1220600275.db2.gz BVDYTIYVEJWWFP-JFIYKMOQSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376905 1220600279 /nfs/dbraw/zinc/60/02/79/1220600279.db2.gz BVDYTIYVEJWWFP-JFIYKMOQSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376905 1220600284 /nfs/dbraw/zinc/60/02/84/1220600284.db2.gz BVDYTIYVEJWWFP-JFIYKMOQSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@H](COCC(=O)NC[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C)[NH+]1CCCC1 ZINC001102384800 1220603515 /nfs/dbraw/zinc/60/35/15/1220603515.db2.gz CCMWGBYBGKCRQI-BZUAXINKSA-N 2 1 365.478 0.755 20 0 FCADMP C[C@H](COCC(=O)NC[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C)[NH+]1CCCC1 ZINC001102384800 1220603519 /nfs/dbraw/zinc/60/35/19/1220603519.db2.gz CCMWGBYBGKCRQI-BZUAXINKSA-N 2 1 365.478 0.755 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430149 1220621985 /nfs/dbraw/zinc/62/19/85/1220621985.db2.gz GNXFVTHFGNBVQV-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488709 1220652012 /nfs/dbraw/zinc/65/20/12/1220652012.db2.gz FWZLEZHHIBTFJM-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495710 1220657357 /nfs/dbraw/zinc/65/73/57/1220657357.db2.gz ITVVSEYONHYFPY-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495710 1220657359 /nfs/dbraw/zinc/65/73/59/1220657359.db2.gz ITVVSEYONHYFPY-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495710 1220657364 /nfs/dbraw/zinc/65/73/64/1220657364.db2.gz ITVVSEYONHYFPY-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102497401 1220658362 /nfs/dbraw/zinc/65/83/62/1220658362.db2.gz RDUVNNLEBNDTJP-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102497401 1220658365 /nfs/dbraw/zinc/65/83/65/1220658365.db2.gz RDUVNNLEBNDTJP-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102497401 1220658367 /nfs/dbraw/zinc/65/83/67/1220658367.db2.gz RDUVNNLEBNDTJP-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001229141713 1225983168 /nfs/dbraw/zinc/98/31/68/1225983168.db2.gz JKYAEIGLHYDSGW-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001102504129 1220663639 /nfs/dbraw/zinc/66/36/39/1220663639.db2.gz DQIZVVJSZXUNRD-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001102504326 1220663972 /nfs/dbraw/zinc/66/39/72/1220663972.db2.gz LOPYNRNBIBWARO-ATZDWAIDSA-N 2 1 367.534 0.800 20 0 FCADMP Cn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142395 1225983395 /nfs/dbraw/zinc/98/33/95/1225983395.db2.gz SNSLXPAVJORUJV-QZTJIDSGSA-N 2 1 363.506 0.702 20 0 FCADMP CCc1noc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102514021 1220673621 /nfs/dbraw/zinc/67/36/21/1220673621.db2.gz JKZNUNAQSRYUDG-QLFBSQMISA-N 2 1 367.494 0.955 20 0 FCADMP CCc1noc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102514021 1220673623 /nfs/dbraw/zinc/67/36/23/1220673623.db2.gz JKZNUNAQSRYUDG-QLFBSQMISA-N 2 1 367.494 0.955 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514147 1220673731 /nfs/dbraw/zinc/67/37/31/1220673731.db2.gz OJJKNCYAMXNDOI-BRWVUGGUSA-N 2 1 370.538 0.506 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514108 1220673772 /nfs/dbraw/zinc/67/37/72/1220673772.db2.gz NBVVJYKNJBDZET-HZPDHXFCSA-N 2 1 365.522 0.474 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515538 1220674541 /nfs/dbraw/zinc/67/45/41/1220674541.db2.gz XROXCZGYTKUGHE-NVXWUHKLSA-N 2 1 362.518 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102523855 1220679390 /nfs/dbraw/zinc/67/93/90/1220679390.db2.gz NXQCSDXBJZZEGH-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102523855 1220679397 /nfs/dbraw/zinc/67/93/97/1220679397.db2.gz NXQCSDXBJZZEGH-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102523855 1220679398 /nfs/dbraw/zinc/67/93/98/1220679398.db2.gz NXQCSDXBJZZEGH-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102525695 1220681851 /nfs/dbraw/zinc/68/18/51/1220681851.db2.gz QBRUVERVJCQEEU-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102525695 1220681857 /nfs/dbraw/zinc/68/18/57/1220681857.db2.gz QBRUVERVJCQEEU-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001102525695 1220681859 /nfs/dbraw/zinc/68/18/59/1220681859.db2.gz QBRUVERVJCQEEU-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579775 1220702077 /nfs/dbraw/zinc/70/20/77/1220702077.db2.gz PAPZRIASMLEHMH-HUUCEWRRSA-N 2 1 367.494 0.002 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102580864 1220703300 /nfs/dbraw/zinc/70/33/00/1220703300.db2.gz ONXLSFDBKIVPOK-FVQBIDKESA-N 2 1 357.462 0.655 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102580864 1220703309 /nfs/dbraw/zinc/70/33/09/1220703309.db2.gz ONXLSFDBKIVPOK-FVQBIDKESA-N 2 1 357.462 0.655 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102580973 1220703889 /nfs/dbraw/zinc/70/38/89/1220703889.db2.gz SXCNRJXVWFTQEJ-JFIYKMOQSA-N 2 1 363.506 0.573 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102580974 1220704207 /nfs/dbraw/zinc/70/42/07/1220704207.db2.gz SXCNRJXVWFTQEJ-SOLBZPMBSA-N 2 1 363.506 0.573 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580367 1220704247 /nfs/dbraw/zinc/70/42/47/1220704247.db2.gz SPWLOZFTDAEJKG-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601005 1220723009 /nfs/dbraw/zinc/72/30/09/1220723009.db2.gz GNZYDSJNZHGTRA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601005 1220723013 /nfs/dbraw/zinc/72/30/13/1220723013.db2.gz GNZYDSJNZHGTRA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601005 1220723023 /nfs/dbraw/zinc/72/30/23/1220723023.db2.gz GNZYDSJNZHGTRA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613055 1220731537 /nfs/dbraw/zinc/73/15/37/1220731537.db2.gz JYQVTRONZLGGLK-BHIYHBOVSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613055 1220731538 /nfs/dbraw/zinc/73/15/38/1220731538.db2.gz JYQVTRONZLGGLK-BHIYHBOVSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613055 1220731540 /nfs/dbraw/zinc/73/15/40/1220731540.db2.gz JYQVTRONZLGGLK-BHIYHBOVSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613055 1220731543 /nfs/dbraw/zinc/73/15/43/1220731543.db2.gz JYQVTRONZLGGLK-BHIYHBOVSA-N 2 1 363.502 0.810 20 0 FCADMP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783120 1220781506 /nfs/dbraw/zinc/78/15/06/1220781506.db2.gz VYNKNXGGHASRHR-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783120 1220781511 /nfs/dbraw/zinc/78/15/11/1220781511.db2.gz VYNKNXGGHASRHR-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102783120 1220781518 /nfs/dbraw/zinc/78/15/18/1220781518.db2.gz VYNKNXGGHASRHR-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102783120 1220781528 /nfs/dbraw/zinc/78/15/28/1220781528.db2.gz VYNKNXGGHASRHR-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782288 1220781630 /nfs/dbraw/zinc/78/16/30/1220781630.db2.gz KHJDFQZWSASICH-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102782288 1220781639 /nfs/dbraw/zinc/78/16/39/1220781639.db2.gz KHJDFQZWSASICH-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102782288 1220781647 /nfs/dbraw/zinc/78/16/47/1220781647.db2.gz KHJDFQZWSASICH-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783194 1220782585 /nfs/dbraw/zinc/78/25/85/1220782585.db2.gz YVYGLDOQPKPSGS-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102783194 1220782590 /nfs/dbraw/zinc/78/25/90/1220782590.db2.gz YVYGLDOQPKPSGS-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102783194 1220782593 /nfs/dbraw/zinc/78/25/93/1220782593.db2.gz YVYGLDOQPKPSGS-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818812 1220790695 /nfs/dbraw/zinc/79/06/95/1220790695.db2.gz IEZACTKWKKILTB-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102818812 1220790704 /nfs/dbraw/zinc/79/07/04/1220790704.db2.gz IEZACTKWKKILTB-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102818812 1220790715 /nfs/dbraw/zinc/79/07/15/1220790715.db2.gz IEZACTKWKKILTB-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102818812 1220790723 /nfs/dbraw/zinc/79/07/23/1220790723.db2.gz IEZACTKWKKILTB-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819671 1220792515 /nfs/dbraw/zinc/79/25/15/1220792515.db2.gz ZWQGUIUNGHFILO-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819671 1220792517 /nfs/dbraw/zinc/79/25/17/1220792517.db2.gz ZWQGUIUNGHFILO-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819671 1220792520 /nfs/dbraw/zinc/79/25/20/1220792520.db2.gz ZWQGUIUNGHFILO-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819671 1220792524 /nfs/dbraw/zinc/79/25/24/1220792524.db2.gz ZWQGUIUNGHFILO-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102976911 1220815125 /nfs/dbraw/zinc/81/51/25/1220815125.db2.gz CQLJYBLABTUVDA-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102976911 1220815128 /nfs/dbraw/zinc/81/51/28/1220815128.db2.gz CQLJYBLABTUVDA-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102976911 1220815130 /nfs/dbraw/zinc/81/51/30/1220815130.db2.gz CQLJYBLABTUVDA-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102976911 1220815131 /nfs/dbraw/zinc/81/51/31/1220815131.db2.gz CQLJYBLABTUVDA-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089783 1220831215 /nfs/dbraw/zinc/83/12/15/1220831215.db2.gz BAORRJBUZMNMEJ-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103089783 1220831219 /nfs/dbraw/zinc/83/12/19/1220831219.db2.gz BAORRJBUZMNMEJ-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103089783 1220831220 /nfs/dbraw/zinc/83/12/20/1220831220.db2.gz BAORRJBUZMNMEJ-HZSPNIEDSA-N 2 1 367.494 0.128 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170946 1220843520 /nfs/dbraw/zinc/84/35/20/1220843520.db2.gz KXQNIWKMGUHWFL-HZSPNIEDSA-N 2 1 365.478 0.559 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170946 1220843522 /nfs/dbraw/zinc/84/35/22/1220843522.db2.gz KXQNIWKMGUHWFL-HZSPNIEDSA-N 2 1 365.478 0.559 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103219176 1220852281 /nfs/dbraw/zinc/85/22/81/1220852281.db2.gz ULSGSJYSZOSQPA-RBSFLKMASA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001103269855 1220858994 /nfs/dbraw/zinc/85/89/94/1220858994.db2.gz RZBBIHOIHDWJQF-NVXWUHKLSA-N 2 1 360.502 0.964 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396946 1220877056 /nfs/dbraw/zinc/87/70/56/1220877056.db2.gz QXHFYPJJIRWNDX-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396946 1220877059 /nfs/dbraw/zinc/87/70/59/1220877059.db2.gz QXHFYPJJIRWNDX-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397027 1220877392 /nfs/dbraw/zinc/87/73/92/1220877392.db2.gz VSDRTAUNMOAADN-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001103437277 1220882301 /nfs/dbraw/zinc/88/23/01/1220882301.db2.gz RJRUECDACMIOBQ-CRAIPNDOSA-N 2 1 360.502 0.964 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001103612742 1220913130 /nfs/dbraw/zinc/91/31/30/1220913130.db2.gz SIJOABVFGNXJOI-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103612742 1220913133 /nfs/dbraw/zinc/91/31/33/1220913133.db2.gz SIJOABVFGNXJOI-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103612742 1220913137 /nfs/dbraw/zinc/91/31/37/1220913137.db2.gz SIJOABVFGNXJOI-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641815 1220924621 /nfs/dbraw/zinc/92/46/21/1220924621.db2.gz FOAKMMZXZWDMLH-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103647791 1220927708 /nfs/dbraw/zinc/92/77/08/1220927708.db2.gz DCDJFESLIKZRCO-OAGGEKHMSA-N 2 1 364.490 0.843 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665697 1220933541 /nfs/dbraw/zinc/93/35/41/1220933541.db2.gz QEOUTUCNYIWQCG-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665697 1220933545 /nfs/dbraw/zinc/93/35/45/1220933545.db2.gz QEOUTUCNYIWQCG-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665697 1220933549 /nfs/dbraw/zinc/93/35/49/1220933549.db2.gz QEOUTUCNYIWQCG-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721545 1220951706 /nfs/dbraw/zinc/95/17/06/1220951706.db2.gz XEDCDGZGHCGYKO-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721545 1220951709 /nfs/dbraw/zinc/95/17/09/1220951709.db2.gz XEDCDGZGHCGYKO-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721545 1220951714 /nfs/dbraw/zinc/95/17/14/1220951714.db2.gz XEDCDGZGHCGYKO-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721545 1220951718 /nfs/dbraw/zinc/95/17/18/1220951718.db2.gz XEDCDGZGHCGYKO-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723281 1220951832 /nfs/dbraw/zinc/95/18/32/1220951832.db2.gz BUWLCUPHAVYMDN-HZPDHXFCSA-N 2 1 363.510 0.753 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723281 1220951839 /nfs/dbraw/zinc/95/18/39/1220951839.db2.gz BUWLCUPHAVYMDN-HZPDHXFCSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719246 1220953232 /nfs/dbraw/zinc/95/32/32/1220953232.db2.gz WKXWQKLSHXQGKC-NXHRZFHOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719246 1220953237 /nfs/dbraw/zinc/95/32/37/1220953237.db2.gz WKXWQKLSHXQGKC-NXHRZFHOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719246 1220953240 /nfs/dbraw/zinc/95/32/40/1220953240.db2.gz WKXWQKLSHXQGKC-NXHRZFHOSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999904 1220996332 /nfs/dbraw/zinc/99/63/32/1220996332.db2.gz ORJYBNIBICLPRT-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999699 1220996729 /nfs/dbraw/zinc/99/67/29/1220996729.db2.gz HXUVMECTHDCQGL-KBAYOESNSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033660 1221000618 /nfs/dbraw/zinc/00/06/18/1221000618.db2.gz BLMUXRNUQVDNEY-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033660 1221000621 /nfs/dbraw/zinc/00/06/21/1221000621.db2.gz BLMUXRNUQVDNEY-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104034251 1221001208 /nfs/dbraw/zinc/00/12/08/1221001208.db2.gz ZXPGKBOHYNHMRR-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104034251 1221001212 /nfs/dbraw/zinc/00/12/12/1221001212.db2.gz ZXPGKBOHYNHMRR-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751276 1221089221 /nfs/dbraw/zinc/08/92/21/1221089221.db2.gz OMFKPZDKIUVBKN-BJLQDIEVSA-N 2 1 365.518 0.962 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503117 1226015047 /nfs/dbraw/zinc/01/50/47/1226015047.db2.gz FLKGYNWPXPSQQG-RBSFLKMASA-N 2 1 369.510 0.579 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001111767259 1221098164 /nfs/dbraw/zinc/09/81/64/1221098164.db2.gz VYEMIDROWGKSFX-GMBSWORKSA-N 2 1 368.497 0.916 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111767259 1221098167 /nfs/dbraw/zinc/09/81/67/1221098167.db2.gz VYEMIDROWGKSFX-GMBSWORKSA-N 2 1 368.497 0.916 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779006 1221104694 /nfs/dbraw/zinc/10/46/94/1221104694.db2.gz SMLHAQPRJQPZFM-VBHSOAQHSA-N 2 1 365.478 0.025 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779006 1221104697 /nfs/dbraw/zinc/10/46/97/1221104697.db2.gz SMLHAQPRJQPZFM-VBHSOAQHSA-N 2 1 365.478 0.025 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779006 1221104700 /nfs/dbraw/zinc/10/47/00/1221104700.db2.gz SMLHAQPRJQPZFM-VBHSOAQHSA-N 2 1 365.478 0.025 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOC)C2)[NH+](C)C ZINC001111789511 1221110807 /nfs/dbraw/zinc/11/08/07/1221110807.db2.gz WRTNAWICTUGBGD-FCEWJHQRSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOC)C2)[NH+](C)C ZINC001111789511 1221110818 /nfs/dbraw/zinc/11/08/18/1221110818.db2.gz WRTNAWICTUGBGD-FCEWJHQRSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855689 1221137360 /nfs/dbraw/zinc/13/73/60/1221137360.db2.gz IMCGFRWHQFICSN-AVYPCKFXSA-N 2 1 362.518 0.966 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)COCCOC)C2 ZINC001111927710 1221173902 /nfs/dbraw/zinc/17/39/02/1221173902.db2.gz KNPOJHVCHMCTEY-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COCCOC)C2 ZINC001111927710 1221173906 /nfs/dbraw/zinc/17/39/06/1221173906.db2.gz KNPOJHVCHMCTEY-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)COCCOC)C2 ZINC001111927710 1221173908 /nfs/dbraw/zinc/17/39/08/1221173908.db2.gz KNPOJHVCHMCTEY-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937980 1221178926 /nfs/dbraw/zinc/17/89/26/1221178926.db2.gz FWVHSHZJOPZMQO-LPHOPBHVSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2)C1CC1 ZINC001112285216 1221230597 /nfs/dbraw/zinc/23/05/97/1221230597.db2.gz PPCJKBBWBZSYFF-KNBMTAEXSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112397206 1221251954 /nfs/dbraw/zinc/25/19/54/1221251954.db2.gz WZVOPARXDCBSLC-UWVAXJGDSA-N 2 1 364.534 0.929 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112436701 1221258920 /nfs/dbraw/zinc/25/89/20/1221258920.db2.gz ASTZWTPXPLVWQH-UGSOOPFHSA-N 2 1 367.494 0.130 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116513876 1221368055 /nfs/dbraw/zinc/36/80/55/1221368055.db2.gz NNMYXLVELVYTLB-HNNXBMFYSA-N 2 1 354.414 0.903 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116513876 1221368060 /nfs/dbraw/zinc/36/80/60/1221368060.db2.gz NNMYXLVELVYTLB-HNNXBMFYSA-N 2 1 354.414 0.903 20 0 FCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001230075175 1226050880 /nfs/dbraw/zinc/05/08/80/1226050880.db2.gz XYEKDDSILSIDLI-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH3+])C[C@H](C)O1 ZINC001117979943 1221675235 /nfs/dbraw/zinc/67/52/35/1221675235.db2.gz BMSXCNGZEUEYIE-GASCZTMLSA-N 2 1 362.474 0.377 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118033456 1221690738 /nfs/dbraw/zinc/69/07/38/1221690738.db2.gz KJBPDHDQZNOURB-HNNXBMFYSA-N 2 1 361.490 0.936 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC001118330743 1221761612 /nfs/dbraw/zinc/76/16/12/1221761612.db2.gz YCSZXCJSNWZYRC-JJTUDDRGSA-N 2 1 366.506 0.330 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001119317913 1221899316 /nfs/dbraw/zinc/89/93/16/1221899316.db2.gz OGVNEBZBNOULCL-CEXWTWQISA-N 2 1 364.534 0.535 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC001119414697 1221914158 /nfs/dbraw/zinc/91/41/58/1221914158.db2.gz KUOMFRHWXVNMPW-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC001119414693 1221914339 /nfs/dbraw/zinc/91/43/39/1221914339.db2.gz KUOMFRHWXVNMPW-BBWFWOEESA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC001119418579 1221915505 /nfs/dbraw/zinc/91/55/05/1221915505.db2.gz QVVVFFVGKIHSDY-SZMVWBNQSA-N 2 1 358.486 0.867 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001119429688 1221916981 /nfs/dbraw/zinc/91/69/81/1221916981.db2.gz XLMPKOVGBDXDKV-MSOLQXFVSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001119429691 1221917006 /nfs/dbraw/zinc/91/70/06/1221917006.db2.gz XLMPKOVGBDXDKV-ROUUACIJSA-N 2 1 356.470 0.514 20 0 FCADMP COCC[N@@H+](CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783248 1226087061 /nfs/dbraw/zinc/08/70/61/1226087061.db2.gz DOSQPPNGNYHEHJ-SJLPKXTDSA-N 2 1 364.490 0.755 20 0 FCADMP COCC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783248 1226087069 /nfs/dbraw/zinc/08/70/69/1226087069.db2.gz DOSQPPNGNYHEHJ-SJLPKXTDSA-N 2 1 364.490 0.755 20 0 FCADMP COCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783248 1226087075 /nfs/dbraw/zinc/08/70/75/1226087075.db2.gz DOSQPPNGNYHEHJ-SJLPKXTDSA-N 2 1 364.490 0.755 20 0 FCADMP COCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783248 1226087094 /nfs/dbraw/zinc/08/70/94/1226087094.db2.gz DOSQPPNGNYHEHJ-SJLPKXTDSA-N 2 1 364.490 0.755 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001120570990 1222105863 /nfs/dbraw/zinc/10/58/63/1222105863.db2.gz KWPAIVRIYDOEAV-IEBWSBKVSA-N 2 1 373.501 0.901 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC001120970255 1222135421 /nfs/dbraw/zinc/13/54/21/1222135421.db2.gz OGMBRNXWLMCGMM-HNNXBMFYSA-N 2 1 361.446 0.336 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC001120970255 1222135422 /nfs/dbraw/zinc/13/54/22/1222135422.db2.gz OGMBRNXWLMCGMM-HNNXBMFYSA-N 2 1 361.446 0.336 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC001121898331 1222220887 /nfs/dbraw/zinc/22/08/87/1222220887.db2.gz WZJHNZGSBKFATQ-RDTXWAMCSA-N 2 1 372.469 0.922 20 0 FCADMP C[N@@H+](CCOc1cccc(CNC(=O)C[C@H](O)C[NH3+])c1)C1CCOCC1 ZINC001121916729 1222223511 /nfs/dbraw/zinc/22/35/11/1222223511.db2.gz IHTRAKITBRDGDO-KRWDZBQOSA-N 2 1 365.474 0.502 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N2CCC3(CC2)C[NH2+]CCO3)c2ccccc2)CC1 ZINC001122235184 1222253700 /nfs/dbraw/zinc/25/37/00/1222253700.db2.gz ZBBLCCQBEIOHCA-LJQANCHMSA-N 2 1 372.513 0.956 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(C(=O)OC)n(C)c3)CC[C@@H]2C1 ZINC001139372028 1222548229 /nfs/dbraw/zinc/54/82/29/1222548229.db2.gz IPAXTVUENNPRHJ-SJLPKXTDSA-N 2 1 365.474 0.981 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(C(=O)OC)n(C)c3)CC[C@@H]2C1 ZINC001139372028 1222548235 /nfs/dbraw/zinc/54/82/35/1222548235.db2.gz IPAXTVUENNPRHJ-SJLPKXTDSA-N 2 1 365.474 0.981 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(C(=O)OC)n(C)c3)CC[C@@H]2C1 ZINC001139372028 1222548239 /nfs/dbraw/zinc/54/82/39/1222548239.db2.gz IPAXTVUENNPRHJ-SJLPKXTDSA-N 2 1 365.474 0.981 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(C(=O)OC)n(C)c3)CC[C@@H]2C1 ZINC001139372028 1222548242 /nfs/dbraw/zinc/54/82/42/1222548242.db2.gz IPAXTVUENNPRHJ-SJLPKXTDSA-N 2 1 365.474 0.981 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000834575547 1222580234 /nfs/dbraw/zinc/58/02/34/1222580234.db2.gz GNPURNMTPXECGT-CALCHBBNSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000834575547 1222580237 /nfs/dbraw/zinc/58/02/37/1222580237.db2.gz GNPURNMTPXECGT-CALCHBBNSA-N 2 1 368.522 0.402 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585591 1222580695 /nfs/dbraw/zinc/58/06/95/1222580695.db2.gz ICPXQZJIKBZARI-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585591 1222580699 /nfs/dbraw/zinc/58/06/99/1222580699.db2.gz ICPXQZJIKBZARI-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585591 1222580705 /nfs/dbraw/zinc/58/07/05/1222580705.db2.gz ICPXQZJIKBZARI-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585591 1222580709 /nfs/dbraw/zinc/58/07/09/1222580709.db2.gz ICPXQZJIKBZARI-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000834585591 1222580713 /nfs/dbraw/zinc/58/07/13/1222580713.db2.gz ICPXQZJIKBZARI-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834750737 1222587690 /nfs/dbraw/zinc/58/76/90/1222587690.db2.gz IUAHICQHZWBXFQ-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834750737 1222587692 /nfs/dbraw/zinc/58/76/92/1222587692.db2.gz IUAHICQHZWBXFQ-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP COC(=O)COc1ccccc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001140429077 1222594308 /nfs/dbraw/zinc/59/43/08/1222594308.db2.gz OERQBJZXLRKKJJ-UHFFFAOYSA-N 2 1 363.458 0.834 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149962 1226142252 /nfs/dbraw/zinc/14/22/52/1226142252.db2.gz NJKAPHDPINTNHI-IBGZPJMESA-N 2 1 362.449 0.810 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149962 1226142254 /nfs/dbraw/zinc/14/22/54/1226142254.db2.gz NJKAPHDPINTNHI-IBGZPJMESA-N 2 1 362.449 0.810 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000842035214 1222833522 /nfs/dbraw/zinc/83/35/22/1222833522.db2.gz JHQFNQWFLPTHJH-CZUORRHYSA-N 2 1 370.457 0.920 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000843254520 1222866080 /nfs/dbraw/zinc/86/60/80/1222866080.db2.gz ODSBHAMLARRXCZ-FCEWJHQRSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000843254520 1222866082 /nfs/dbraw/zinc/86/60/82/1222866082.db2.gz ODSBHAMLARRXCZ-FCEWJHQRSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H]1C ZINC000843254520 1222866083 /nfs/dbraw/zinc/86/60/83/1222866083.db2.gz ODSBHAMLARRXCZ-FCEWJHQRSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000843254520 1222866086 /nfs/dbraw/zinc/86/60/86/1222866086.db2.gz ODSBHAMLARRXCZ-FCEWJHQRSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C[NH3+])CC2)C1=O ZINC000843344842 1222870933 /nfs/dbraw/zinc/87/09/33/1222870933.db2.gz AEOCUIASCPHCNB-LJQANCHMSA-N 2 1 373.457 0.546 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354332 1222872769 /nfs/dbraw/zinc/87/27/69/1222872769.db2.gz ZCCHPXFJMZLRAS-KBPBESRZSA-N 2 1 365.478 0.722 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150396382 1222901136 /nfs/dbraw/zinc/90/11/36/1222901136.db2.gz GHOWGXPFDLWFDI-ZFWWWQNUSA-N 2 1 359.478 0.328 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)c1ccc2nnc([C@@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150396382 1222901140 /nfs/dbraw/zinc/90/11/40/1222901140.db2.gz GHOWGXPFDLWFDI-ZFWWWQNUSA-N 2 1 359.478 0.328 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[NH+](C)C3)cn21 ZINC001150405913 1222902659 /nfs/dbraw/zinc/90/26/59/1222902659.db2.gz IPNBTTBDRLBQNQ-GOEBONIOSA-N 2 1 371.489 0.329 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[NH+](C)C3)cn21 ZINC001150405913 1222902664 /nfs/dbraw/zinc/90/26/64/1222902664.db2.gz IPNBTTBDRLBQNQ-GOEBONIOSA-N 2 1 371.489 0.329 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cn21 ZINC001150405913 1222902668 /nfs/dbraw/zinc/90/26/68/1222902668.db2.gz IPNBTTBDRLBQNQ-GOEBONIOSA-N 2 1 371.489 0.329 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cn21 ZINC001150405913 1222902675 /nfs/dbraw/zinc/90/26/75/1222902675.db2.gz IPNBTTBDRLBQNQ-GOEBONIOSA-N 2 1 371.489 0.329 20 0 FCADMP CC[C@@H](O)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001277712903 1226169190 /nfs/dbraw/zinc/16/91/90/1226169190.db2.gz OBEUXSDGGSPSAH-GOSISDBHSA-N 2 1 366.550 0.709 20 0 FCADMP CC[N@H+](CCn1nc(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997932 1222999058 /nfs/dbraw/zinc/99/90/58/1222999058.db2.gz FMKXREOXOGGYBB-CKEIUWERSA-N 2 1 366.510 0.441 20 0 FCADMP CC[N@@H+](CCn1nc(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997932 1222999059 /nfs/dbraw/zinc/99/90/59/1222999059.db2.gz FMKXREOXOGGYBB-CKEIUWERSA-N 2 1 366.510 0.441 20 0 FCADMP CC[NH+](CCn1nc(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997932 1222999060 /nfs/dbraw/zinc/99/90/60/1222999060.db2.gz FMKXREOXOGGYBB-CKEIUWERSA-N 2 1 366.510 0.441 20 0 FCADMP CC[NH+](CCn1nc(C)nc1C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997932 1222999062 /nfs/dbraw/zinc/99/90/62/1222999062.db2.gz FMKXREOXOGGYBB-CKEIUWERSA-N 2 1 366.510 0.441 20 0 FCADMP C[C@@H](CN1CC[NH2+]CC1)Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001154753216 1223018086 /nfs/dbraw/zinc/01/80/86/1223018086.db2.gz YJKRIZHBMKOLNV-HNNXBMFYSA-N 2 1 360.510 0.200 20 0 FCADMP C[NH+]1CCN(c2nccc(N3CCN(c4ncccc4N)CC3)n2)CC1 ZINC001154787799 1223018465 /nfs/dbraw/zinc/01/84/65/1223018465.db2.gz SEVWZPGJPFYOJK-UHFFFAOYSA-N 2 1 354.462 0.532 20 0 FCADMP CN(C)C1(CNc2ccc(C(=O)N3CCOCC3)cn2)CC[NH+](C)CC1 ZINC001156176688 1223050657 /nfs/dbraw/zinc/05/06/57/1223050657.db2.gz QBIJSGBMBYIYEM-UHFFFAOYSA-N 2 1 361.490 0.992 20 0 FCADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)CC[C@@H]2C1 ZINC001156971214 1223065176 /nfs/dbraw/zinc/06/51/76/1223065176.db2.gz DVRFVKFXXCCVBA-RHSMWYFYSA-N 2 1 373.457 0.954 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)CC[C@@H]2C1 ZINC001156971214 1223065181 /nfs/dbraw/zinc/06/51/81/1223065181.db2.gz DVRFVKFXXCCVBA-RHSMWYFYSA-N 2 1 373.457 0.954 20 0 FCADMP COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037732 1223066485 /nfs/dbraw/zinc/06/64/85/1223066485.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 1 371.441 0.917 20 0 FCADMP COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037732 1223066487 /nfs/dbraw/zinc/06/64/87/1223066487.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 1 371.441 0.917 20 0 FCADMP COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037732 1223066489 /nfs/dbraw/zinc/06/64/89/1223066489.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 1 371.441 0.917 20 0 FCADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)n[nH]1 ZINC001157440396 1223077051 /nfs/dbraw/zinc/07/70/51/1223077051.db2.gz VIFMMAYPEXCIGR-UGSOOPFHSA-N 2 1 353.430 0.671 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cn21 ZINC001158231959 1223091156 /nfs/dbraw/zinc/09/11/56/1223091156.db2.gz VLXOPXIMFSWAQO-XHSDSOJGSA-N 2 1 369.473 0.224 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cn21 ZINC001158231959 1223091159 /nfs/dbraw/zinc/09/11/59/1223091159.db2.gz VLXOPXIMFSWAQO-XHSDSOJGSA-N 2 1 369.473 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001158379984 1223096134 /nfs/dbraw/zinc/09/61/34/1223096134.db2.gz JBPBXDHRZSCFHN-GDBMZVCRSA-N 2 1 357.462 0.598 20 0 FCADMP CC(C)n1nccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158389321 1223096276 /nfs/dbraw/zinc/09/62/76/1223096276.db2.gz ARSSINJYYKMTSM-HUUCEWRRSA-N 2 1 364.494 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2c(C)n[nH]c2C)CC[N@H+]1C ZINC001158413046 1223097573 /nfs/dbraw/zinc/09/75/73/1223097573.db2.gz UJRUDNPDKLZEIK-LSDHHAIUSA-N 2 1 364.494 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C ZINC000977810358 1248656656 /nfs/dbraw/zinc/65/66/56/1248656656.db2.gz QCIVKZJRXFSYQD-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cn2c[nH+]cc2C)CC[N@H+]1C ZINC000977810358 1248656670 /nfs/dbraw/zinc/65/66/70/1248656670.db2.gz QCIVKZJRXFSYQD-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)C2)C1 ZINC001159123360 1223117964 /nfs/dbraw/zinc/11/79/64/1223117964.db2.gz IGWMVZMYSRZXCK-QFBILLFUSA-N 2 1 368.522 0.308 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)C2)C1 ZINC001159123360 1223117965 /nfs/dbraw/zinc/11/79/65/1223117965.db2.gz IGWMVZMYSRZXCK-QFBILLFUSA-N 2 1 368.522 0.308 20 0 FCADMP Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159375266 1223125534 /nfs/dbraw/zinc/12/55/34/1223125534.db2.gz NGKUXJAXQDVRPL-HOCLYGCPSA-N 2 1 358.446 0.134 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@@H]21 ZINC001159533409 1223129233 /nfs/dbraw/zinc/12/92/33/1223129233.db2.gz FTNRVCPMXHBCGB-FPSMNIFISA-N 2 1 361.490 0.306 20 0 FCADMP O=C(c1nnn2c1C[NH2+]CC2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159566594 1223129827 /nfs/dbraw/zinc/12/98/27/1223129827.db2.gz QUXVKDZUKQHVCK-UHFFFAOYSA-N 2 1 370.461 0.266 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)[C@H]2C ZINC001159632994 1223131943 /nfs/dbraw/zinc/13/19/43/1223131943.db2.gz DVKVASBCFUYOKB-DOXZYTNZSA-N 2 1 360.506 0.578 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)[C@H]2C ZINC001159634588 1223131958 /nfs/dbraw/zinc/13/19/58/1223131958.db2.gz ZUHDHWHQTYWVMD-GOEBONIOSA-N 3 1 360.506 0.436 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665246 1223133168 /nfs/dbraw/zinc/13/31/68/1223133168.db2.gz IGWYPTFIZJUDFS-SQNIBIBYSA-N 3 1 361.490 0.340 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159695819 1223134078 /nfs/dbraw/zinc/13/40/78/1223134078.db2.gz BYVQCTWMOSOFMG-SFHVURJKSA-N 2 1 370.497 0.850 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159854792 1223137959 /nfs/dbraw/zinc/13/79/59/1223137959.db2.gz FTPNUDUBHDNSIH-LEYVVWKUSA-N 2 1 374.460 0.440 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856319 1223138145 /nfs/dbraw/zinc/13/81/45/1223138145.db2.gz SWJRGHKOAJHQEU-SZMVWBNQSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856319 1223138148 /nfs/dbraw/zinc/13/81/48/1223138148.db2.gz SWJRGHKOAJHQEU-SZMVWBNQSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856319 1223138151 /nfs/dbraw/zinc/13/81/51/1223138151.db2.gz SWJRGHKOAJHQEU-SZMVWBNQSA-N 2 1 373.432 0.783 20 0 FCADMP CC(=O)OC[C@H](N)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855227 1223138469 /nfs/dbraw/zinc/13/84/69/1223138469.db2.gz JDWYXVVJQVPQEP-UAGQMJEPSA-N 2 1 365.405 0.380 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855227 1223138473 /nfs/dbraw/zinc/13/84/73/1223138473.db2.gz JDWYXVVJQVPQEP-UAGQMJEPSA-N 2 1 365.405 0.380 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001159898669 1223139195 /nfs/dbraw/zinc/13/91/95/1223139195.db2.gz SLROWGCQLCYQDB-OALUTQOASA-N 2 1 370.453 0.914 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001159898669 1223139197 /nfs/dbraw/zinc/13/91/97/1223139197.db2.gz SLROWGCQLCYQDB-OALUTQOASA-N 2 1 370.453 0.914 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001159929698 1223139905 /nfs/dbraw/zinc/13/99/05/1223139905.db2.gz JDAKCCMVKQOYKA-RMJJICAUSA-N 2 1 364.534 0.772 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001159929698 1223139906 /nfs/dbraw/zinc/13/99/06/1223139906.db2.gz JDAKCCMVKQOYKA-RMJJICAUSA-N 2 1 364.534 0.772 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001159946987 1223140963 /nfs/dbraw/zinc/14/09/63/1223140963.db2.gz ADPOSVVOPQJVAP-JXFKEZNVSA-N 2 1 367.453 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001160175526 1223148416 /nfs/dbraw/zinc/14/84/16/1223148416.db2.gz WQVCUJPUCBYHEP-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CCNC(=O)C3CC3)CC2)CC[NH+]1C ZINC001160175526 1223148418 /nfs/dbraw/zinc/14/84/18/1223148418.db2.gz WQVCUJPUCBYHEP-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCNC(=O)C3CC3)CC2)CC[NH+]1C ZINC001160175526 1223148419 /nfs/dbraw/zinc/14/84/19/1223148419.db2.gz WQVCUJPUCBYHEP-CRAIPNDOSA-N 2 1 362.518 0.991 20 0 FCADMP O=C(c1cccnc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC001160726128 1223170565 /nfs/dbraw/zinc/17/05/65/1223170565.db2.gz RXJKKKOGCFYYPA-IAGOWNOFSA-N 2 1 359.474 0.792 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160837495 1223176728 /nfs/dbraw/zinc/17/67/28/1223176728.db2.gz ACBVVAHOXAIZHT-UHFFFAOYSA-N 2 1 373.505 0.067 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C3CCC3)n2C)O1 ZINC001160850793 1223177360 /nfs/dbraw/zinc/17/73/60/1223177360.db2.gz HOCHOZCYZMDCEQ-UKRRQHHQSA-N 2 1 364.494 0.398 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C3CCC3)n2C)O1 ZINC001160850793 1223177362 /nfs/dbraw/zinc/17/73/62/1223177362.db2.gz HOCHOZCYZMDCEQ-UKRRQHHQSA-N 2 1 364.494 0.398 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)O1 ZINC001160850663 1223177406 /nfs/dbraw/zinc/17/74/06/1223177406.db2.gz FDOZTKBYNDWQOM-ZTFGCOKTSA-N 2 1 367.465 0.544 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)O1 ZINC001160850663 1223177408 /nfs/dbraw/zinc/17/74/08/1223177408.db2.gz FDOZTKBYNDWQOM-ZTFGCOKTSA-N 2 1 367.465 0.544 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001160857964 1223177915 /nfs/dbraw/zinc/17/79/15/1223177915.db2.gz UNVWRMMOYBETKX-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCCCCC1 ZINC001160857964 1223177917 /nfs/dbraw/zinc/17/79/17/1223177917.db2.gz UNVWRMMOYBETKX-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857363 1223177976 /nfs/dbraw/zinc/17/79/76/1223177976.db2.gz GJWFJQPMTAFYFZ-GVDBMIGSSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857363 1223177981 /nfs/dbraw/zinc/17/79/81/1223177981.db2.gz GJWFJQPMTAFYFZ-GVDBMIGSSA-N 2 1 370.538 0.694 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001160862586 1223179003 /nfs/dbraw/zinc/17/90/03/1223179003.db2.gz RHUJQDCCKHGGSR-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001160862586 1223179005 /nfs/dbraw/zinc/17/90/05/1223179005.db2.gz RHUJQDCCKHGGSR-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP CO[C@@H](CN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160905226 1223180281 /nfs/dbraw/zinc/18/02/81/1223180281.db2.gz KZDBOVHOPNEHTR-IBGZPJMESA-N 2 1 360.502 0.860 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999786 1223182534 /nfs/dbraw/zinc/18/25/34/1223182534.db2.gz KPXDOBMCKVQQQU-RBUKOAKNSA-N 2 1 372.513 0.566 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999786 1223182537 /nfs/dbraw/zinc/18/25/37/1223182537.db2.gz KPXDOBMCKVQQQU-RBUKOAKNSA-N 2 1 372.513 0.566 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160959250 1223182725 /nfs/dbraw/zinc/18/27/25/1223182725.db2.gz QGGGQKWMGRCLHD-UVBSCNOISA-N 2 1 357.462 0.322 20 0 FCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196819 1223189175 /nfs/dbraw/zinc/18/91/75/1223189175.db2.gz SGNXGKLKWCRJDK-PKOBYXMFSA-N 3 1 366.550 0.925 20 0 FCADMP C[NH+]1CCN(c2nccc(-n3ccncc3=N[C@H]3CC[C@H]([NH3+])CC3)n2)CC1 ZINC001161298561 1223194124 /nfs/dbraw/zinc/19/41/24/1223194124.db2.gz IUROLDCHYJGJGI-WKILWMFISA-N 2 1 368.489 0.585 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001161308982 1223195114 /nfs/dbraw/zinc/19/51/14/1223195114.db2.gz KHOSIORFCCJRHF-ZDUSSCGKSA-N 2 1 365.434 0.159 20 0 FCADMP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379925 1223197744 /nfs/dbraw/zinc/19/77/44/1223197744.db2.gz RWBVBTIJDXLOEL-QFBILLFUSA-N 3 1 363.550 0.474 20 0 FCADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3cccc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC001161380194 1223197883 /nfs/dbraw/zinc/19/78/83/1223197883.db2.gz JOSYMPWFLWOCLC-IBGZPJMESA-N 3 1 357.502 0.734 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H](N)CC(=O)OC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001161443326 1223199007 /nfs/dbraw/zinc/19/90/07/1223199007.db2.gz QEHMPPXNENJHPY-WBVHZDCISA-N 2 1 368.522 0.722 20 0 FCADMP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC[N@H+]4CC[C@H]4C3)cc(=O)oc2c1 ZINC001161423908 1223199254 /nfs/dbraw/zinc/19/92/54/1223199254.db2.gz SKUYAMKCAQBIJW-BBRMVZONSA-N 2 1 357.410 0.588 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185502 1223211118 /nfs/dbraw/zinc/21/11/18/1223211118.db2.gz RCESWQPCDMLYBQ-HNNXBMFYSA-N 2 1 364.490 0.543 20 0 FCADMP [NH3+]C[C@H](CO)c1ccc(Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc1 ZINC001163052967 1223225207 /nfs/dbraw/zinc/22/52/07/1223225207.db2.gz MVTQMGORPIRVLT-CQSZACIVSA-N 2 1 370.457 0.695 20 0 FCADMP [NH3+][C@@H]1CCN(Cc2cccc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)c2)C1 ZINC001163120344 1223226737 /nfs/dbraw/zinc/22/67/37/1223226737.db2.gz KTEVYPKVOFPLSU-MRXNPFEDSA-N 2 1 368.485 0.882 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2ccc(OC3CC[NH2+]CC3)nn2)C1 ZINC001163124774 1223227213 /nfs/dbraw/zinc/22/72/13/1223227213.db2.gz RUJFORGJNDJNPS-INIZCTEOSA-N 2 1 363.462 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001164576626 1223240256 /nfs/dbraw/zinc/24/02/56/1223240256.db2.gz UOZDVOWFPPQIHD-HUUCEWRRSA-N 2 1 364.490 0.352 20 0 FCADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165109325 1223242306 /nfs/dbraw/zinc/24/23/06/1223242306.db2.gz TZJHMEJFCSJBQL-KRWDZBQOSA-N 2 1 360.506 0.966 20 0 FCADMP COC(=O)c1c[nH]c2nc[nH+]c(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c12 ZINC001165311873 1223244351 /nfs/dbraw/zinc/24/43/51/1223244351.db2.gz XWXJCXAQFBNSKJ-UHFFFAOYSA-N 2 1 368.401 0.435 20 0 FCADMP c1cnn(Cc2c[nH+]c3n2CCN(c2ncc4c(n2)CC[NH2+]C4)CC3)c1 ZINC001165968927 1223263613 /nfs/dbraw/zinc/26/36/13/1223263613.db2.gz OELGPMWPQAAAMN-UHFFFAOYSA-N 2 1 350.430 0.626 20 0 FCADMP C[N@@H+](CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)CC(C)(C)C ZINC001205511102 1223329191 /nfs/dbraw/zinc/32/91/91/1223329191.db2.gz XABZPHHSLAOECI-DLBZAZTESA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205516217 1223329561 /nfs/dbraw/zinc/32/95/61/1223329561.db2.gz SYIRUEWYGCZKFQ-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205516217 1223329564 /nfs/dbraw/zinc/32/95/64/1223329564.db2.gz SYIRUEWYGCZKFQ-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205674388 1223334623 /nfs/dbraw/zinc/33/46/23/1223334623.db2.gz OUCKUQCWZVTGJM-JLJPHGGASA-N 2 1 364.465 0.925 20 0 FCADMP CCOC(=O)c1cnn2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cnc12 ZINC001205684329 1223335112 /nfs/dbraw/zinc/33/51/12/1223335112.db2.gz DSQDNTJKSFJHMP-UHFFFAOYSA-N 2 1 374.489 0.975 20 0 FCADMP O=C1COC2(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)CN1 ZINC001206723190 1223367769 /nfs/dbraw/zinc/36/77/69/1223367769.db2.gz XQIAPPHWSDNMJW-UHFFFAOYSA-N 2 1 359.470 1.000 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993070 1223402388 /nfs/dbraw/zinc/40/23/88/1223402388.db2.gz QHZXPZFXSDFEIT-KLHDSHLOSA-N 2 1 367.538 0.861 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993070 1223402394 /nfs/dbraw/zinc/40/23/94/1223402394.db2.gz QHZXPZFXSDFEIT-KLHDSHLOSA-N 2 1 367.538 0.861 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC001207302081 1223434476 /nfs/dbraw/zinc/43/44/76/1223434476.db2.gz QHPLEQRQGLFPGG-SQNIBIBYSA-N 2 1 362.522 0.784 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC001207302081 1223434483 /nfs/dbraw/zinc/43/44/83/1223434483.db2.gz QHPLEQRQGLFPGG-SQNIBIBYSA-N 2 1 362.522 0.784 20 0 FCADMP CC(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207435242 1223446708 /nfs/dbraw/zinc/44/67/08/1223446708.db2.gz KSJBTQKUWPOOSK-UHFFFAOYSA-N 2 1 361.490 0.721 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705418 1223472926 /nfs/dbraw/zinc/47/29/26/1223472926.db2.gz ADZJFIDPTOKLGE-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705418 1223472929 /nfs/dbraw/zinc/47/29/29/1223472929.db2.gz ADZJFIDPTOKLGE-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001208362258 1223534819 /nfs/dbraw/zinc/53/48/19/1223534819.db2.gz MOSFRMOHFIJTEZ-RBSFLKMASA-N 2 1 363.462 0.247 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001208410486 1223541099 /nfs/dbraw/zinc/54/10/99/1223541099.db2.gz AJXJGWZWZHINEC-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001208410486 1223541105 /nfs/dbraw/zinc/54/11/05/1223541105.db2.gz AJXJGWZWZHINEC-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448276 1223545969 /nfs/dbraw/zinc/54/59/69/1223545969.db2.gz ZVIRYBVXQRWQHQ-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208706707 1223571594 /nfs/dbraw/zinc/57/15/94/1223571594.db2.gz CWATYAYTNBGZCN-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208706707 1223571599 /nfs/dbraw/zinc/57/15/99/1223571599.db2.gz CWATYAYTNBGZCN-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C)[NH+](C)C ZINC001208708471 1223571733 /nfs/dbraw/zinc/57/17/33/1223571733.db2.gz WQBDCALIMBZBDR-ZACQAIPSSA-N 2 1 370.538 0.694 20 0 FCADMP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)n1 ZINC001276588727 1223578663 /nfs/dbraw/zinc/57/86/63/1223578663.db2.gz QREWOFQUOXXYNW-IAGOWNOFSA-N 2 1 360.458 0.995 20 0 FCADMP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)n1 ZINC001276588727 1223578669 /nfs/dbraw/zinc/57/86/69/1223578669.db2.gz QREWOFQUOXXYNW-IAGOWNOFSA-N 2 1 360.458 0.995 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952873 1223587545 /nfs/dbraw/zinc/58/75/45/1223587545.db2.gz WCCWCVAAZUNYKJ-TZIWHRDSSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952873 1223587549 /nfs/dbraw/zinc/58/75/49/1223587549.db2.gz WCCWCVAAZUNYKJ-TZIWHRDSSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208952873 1223587555 /nfs/dbraw/zinc/58/75/55/1223587555.db2.gz WCCWCVAAZUNYKJ-TZIWHRDSSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208952873 1223587559 /nfs/dbraw/zinc/58/75/59/1223587559.db2.gz WCCWCVAAZUNYKJ-TZIWHRDSSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4cnccc34)C2)OCC1=O ZINC001276631771 1223610031 /nfs/dbraw/zinc/61/00/31/1223610031.db2.gz ATOMPTDYPXDVHP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506889 1223626080 /nfs/dbraw/zinc/62/60/80/1223626080.db2.gz VFNWJGNDNDLKAY-VQIMIIECSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506889 1223626083 /nfs/dbraw/zinc/62/60/83/1223626083.db2.gz VFNWJGNDNDLKAY-VQIMIIECSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507075 1223626682 /nfs/dbraw/zinc/62/66/82/1223626682.db2.gz XPIZSDUPSMQFQZ-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507075 1223626685 /nfs/dbraw/zinc/62/66/85/1223626685.db2.gz XPIZSDUPSMQFQZ-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514921 1223627344 /nfs/dbraw/zinc/62/73/44/1223627344.db2.gz QTNKOWVLFUEXHN-FGTMMUONSA-N 2 1 369.506 0.341 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514921 1223627348 /nfs/dbraw/zinc/62/73/48/1223627348.db2.gz QTNKOWVLFUEXHN-FGTMMUONSA-N 2 1 369.506 0.341 20 0 FCADMP Cc1n[nH]cc1CN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001209555539 1223630922 /nfs/dbraw/zinc/63/09/22/1223630922.db2.gz FLTPMSSIVJKXMP-UHFFFAOYSA-N 2 1 368.445 0.636 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835871 1223652451 /nfs/dbraw/zinc/65/24/51/1223652451.db2.gz CSCPMDXJETYIPW-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835871 1223652454 /nfs/dbraw/zinc/65/24/54/1223652454.db2.gz CSCPMDXJETYIPW-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001209835876 1223652572 /nfs/dbraw/zinc/65/25/72/1223652572.db2.gz CZQZYNQNRQUUOJ-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cn1 ZINC001209835876 1223652575 /nfs/dbraw/zinc/65/25/75/1223652575.db2.gz CZQZYNQNRQUUOJ-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001210051726 1223663604 /nfs/dbraw/zinc/66/36/04/1223663604.db2.gz TXBZMLRSLPABKL-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001210051726 1223663605 /nfs/dbraw/zinc/66/36/05/1223663605.db2.gz TXBZMLRSLPABKL-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001210213337 1223675898 /nfs/dbraw/zinc/67/58/98/1223675898.db2.gz ICZWTNDMPXOEEW-POAQFYNOSA-N 2 1 363.502 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001210213337 1223675900 /nfs/dbraw/zinc/67/59/00/1223675900.db2.gz ICZWTNDMPXOEEW-POAQFYNOSA-N 2 1 363.502 0.909 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210484807 1223694945 /nfs/dbraw/zinc/69/49/45/1223694945.db2.gz DCCNIKISPRGOAJ-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210484807 1223694947 /nfs/dbraw/zinc/69/49/47/1223694947.db2.gz DCCNIKISPRGOAJ-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210484807 1223694950 /nfs/dbraw/zinc/69/49/50/1223694950.db2.gz DCCNIKISPRGOAJ-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210484807 1223694952 /nfs/dbraw/zinc/69/49/52/1223694952.db2.gz DCCNIKISPRGOAJ-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343710 1223736151 /nfs/dbraw/zinc/73/61/51/1223736151.db2.gz HWYLWMCULLFFFD-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343710 1223736154 /nfs/dbraw/zinc/73/61/54/1223736154.db2.gz HWYLWMCULLFFFD-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349944 1223736637 /nfs/dbraw/zinc/73/66/37/1223736637.db2.gz KYUNRXVWMNYLSD-KZNAEPCWSA-N 2 1 371.522 0.323 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213163777 1223760684 /nfs/dbraw/zinc/76/06/84/1223760684.db2.gz BHEDXJOIUGAOSP-IAGOWNOFSA-N 2 1 362.430 0.426 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213163777 1223760691 /nfs/dbraw/zinc/76/06/91/1223760691.db2.gz BHEDXJOIUGAOSP-IAGOWNOFSA-N 2 1 362.430 0.426 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001213189931 1223765328 /nfs/dbraw/zinc/76/53/28/1223765328.db2.gz JLRIJWFLDJYITF-RVKOJVRFSA-N 2 1 369.481 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCF)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001213189931 1223765332 /nfs/dbraw/zinc/76/53/32/1223765332.db2.gz JLRIJWFLDJYITF-RVKOJVRFSA-N 2 1 369.481 0.805 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCF)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001213189931 1223765337 /nfs/dbraw/zinc/76/53/37/1223765337.db2.gz JLRIJWFLDJYITF-RVKOJVRFSA-N 2 1 369.481 0.805 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213374386 1223791691 /nfs/dbraw/zinc/79/16/91/1223791691.db2.gz DZLLWACTAZNEPV-QZTJIDSGSA-N 2 1 365.474 0.841 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374309 1223792035 /nfs/dbraw/zinc/79/20/35/1223792035.db2.gz AENQILRAXLWDSU-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374309 1223792038 /nfs/dbraw/zinc/79/20/38/1223792038.db2.gz AENQILRAXLWDSU-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580420 1223817798 /nfs/dbraw/zinc/81/77/98/1223817798.db2.gz BHONHNYRTWWUFO-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580420 1223817801 /nfs/dbraw/zinc/81/78/01/1223817801.db2.gz BHONHNYRTWWUFO-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638546 1223825943 /nfs/dbraw/zinc/82/59/43/1223825943.db2.gz SXXSKZJHHUOTMD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767403 1223847037 /nfs/dbraw/zinc/84/70/37/1223847037.db2.gz RMNZJEQCBIAXDQ-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767403 1223847038 /nfs/dbraw/zinc/84/70/38/1223847038.db2.gz RMNZJEQCBIAXDQ-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213767403 1223847042 /nfs/dbraw/zinc/84/70/42/1223847042.db2.gz RMNZJEQCBIAXDQ-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213801959 1223852053 /nfs/dbraw/zinc/85/20/53/1223852053.db2.gz IBSKKWIPNONXAX-KBAYOESNSA-N 2 1 364.490 0.985 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213801852 1223852262 /nfs/dbraw/zinc/85/22/62/1223852262.db2.gz FJMZHFMYBBFIDD-IAGOWNOFSA-N 2 1 360.462 0.144 20 0 FCADMP CO[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213801852 1223852265 /nfs/dbraw/zinc/85/22/65/1223852265.db2.gz FJMZHFMYBBFIDD-IAGOWNOFSA-N 2 1 360.462 0.144 20 0 FCADMP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860291 1223863111 /nfs/dbraw/zinc/86/31/11/1223863111.db2.gz YRHUFJVYJWQXFQ-BRWVUGGUSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860291 1223863113 /nfs/dbraw/zinc/86/31/13/1223863113.db2.gz YRHUFJVYJWQXFQ-BRWVUGGUSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001213922273 1223872931 /nfs/dbraw/zinc/87/29/31/1223872931.db2.gz XZVUBJZXVKRZBH-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001213922273 1223872934 /nfs/dbraw/zinc/87/29/34/1223872934.db2.gz XZVUBJZXVKRZBH-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001214336248 1223902019 /nfs/dbraw/zinc/90/20/19/1223902019.db2.gz ZMMKXOCRTQRPIQ-OIISXLGYSA-N 2 1 362.474 0.769 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610670 1223925891 /nfs/dbraw/zinc/92/58/91/1223925891.db2.gz BZGVEGKCFVFVNB-KBAYOESNSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214673596 1223931334 /nfs/dbraw/zinc/93/13/34/1223931334.db2.gz GXOYMEDGPNIQMS-DAXOMENPSA-N 2 1 362.478 0.315 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214673596 1223931338 /nfs/dbraw/zinc/93/13/38/1223931338.db2.gz GXOYMEDGPNIQMS-DAXOMENPSA-N 2 1 362.478 0.315 20 0 FCADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978164935 1248713125 /nfs/dbraw/zinc/71/31/25/1248713125.db2.gz HETADBNDGSPBNT-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978164935 1248713128 /nfs/dbraw/zinc/71/31/28/1248713128.db2.gz HETADBNDGSPBNT-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978164935 1248713136 /nfs/dbraw/zinc/71/31/36/1248713136.db2.gz HETADBNDGSPBNT-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978164935 1248713141 /nfs/dbraw/zinc/71/31/41/1248713141.db2.gz HETADBNDGSPBNT-HHARLNAUSA-N 2 1 360.506 0.741 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889111 1223952095 /nfs/dbraw/zinc/95/20/95/1223952095.db2.gz HNLOTELJJWZEQR-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001214890014 1223952208 /nfs/dbraw/zinc/95/22/08/1223952208.db2.gz RSUBUFIDRABJTI-RBSFLKMASA-N 2 1 363.462 0.924 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214950479 1223958808 /nfs/dbraw/zinc/95/88/08/1223958808.db2.gz SRNPNZRWKPMVHM-MUIFIZLQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214950479 1223958811 /nfs/dbraw/zinc/95/88/11/1223958811.db2.gz SRNPNZRWKPMVHM-MUIFIZLQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214969202 1223960224 /nfs/dbraw/zinc/96/02/24/1223960224.db2.gz KZWRBMRLKYTZAP-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)no1 ZINC001214968815 1223960352 /nfs/dbraw/zinc/96/03/52/1223960352.db2.gz DMJFZORTODLEAC-BPLDGKMQSA-N 2 1 363.462 0.842 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)on1 ZINC001215155884 1223979115 /nfs/dbraw/zinc/97/91/15/1223979115.db2.gz NTOMCEPUYBBGNF-BXUZGUMPSA-N 2 1 360.418 0.563 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215224901 1223984027 /nfs/dbraw/zinc/98/40/27/1223984027.db2.gz ZPYMNWDGCPMDAB-HUUCEWRRSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001215463505 1224000553 /nfs/dbraw/zinc/00/05/53/1224000553.db2.gz ZYJZMSJNFZUXAN-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)no1 ZINC001215540031 1224005229 /nfs/dbraw/zinc/00/52/29/1224005229.db2.gz GSWCYSOAVSXTQP-UMVBOHGHSA-N 2 1 363.462 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215544529 1224005536 /nfs/dbraw/zinc/00/55/36/1224005536.db2.gz ZBKIBBFUAKQFKI-ZMSDIMECSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215558009 1224006315 /nfs/dbraw/zinc/00/63/15/1224006315.db2.gz JRWMYZILZYDFDT-ZIAGYGMSSA-N 2 1 363.462 0.782 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604732 1224009441 /nfs/dbraw/zinc/00/94/41/1224009441.db2.gz FZSGJSCQRHHKFR-OQIJWPOYSA-N 2 1 372.513 0.904 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[N@H+]1C ZINC000978185835 1248718616 /nfs/dbraw/zinc/71/86/16/1248718616.db2.gz WLENFSBNTJFCRY-PYJZQUQOSA-N 2 1 370.497 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[NH+]1C ZINC000978185835 1248718631 /nfs/dbraw/zinc/71/86/31/1248718631.db2.gz WLENFSBNTJFCRY-PYJZQUQOSA-N 2 1 370.497 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[NH+]1C ZINC000978185835 1248718638 /nfs/dbraw/zinc/71/86/38/1248718638.db2.gz WLENFSBNTJFCRY-PYJZQUQOSA-N 2 1 370.497 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)CC[N@H+]1C ZINC000978186964 1248718699 /nfs/dbraw/zinc/71/86/99/1248718699.db2.gz XNSVSEQLDZBDGU-ZKXLYKBJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC000978186964 1248718713 /nfs/dbraw/zinc/71/87/13/1248718713.db2.gz XNSVSEQLDZBDGU-ZKXLYKBJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC000978186964 1248718717 /nfs/dbraw/zinc/71/87/17/1248718717.db2.gz XNSVSEQLDZBDGU-ZKXLYKBJSA-N 2 1 362.518 0.633 20 0 FCADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215939083 1224025669 /nfs/dbraw/zinc/02/56/69/1224025669.db2.gz UTWLRRZWUAMLAZ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938952 1224025806 /nfs/dbraw/zinc/02/58/06/1224025806.db2.gz QOMRZZSERWGERG-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001215938825 1224025816 /nfs/dbraw/zinc/02/58/16/1224025816.db2.gz ODWZMRSRMJGPGM-FGTMMUONSA-N 2 1 369.506 0.341 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938780 1224025935 /nfs/dbraw/zinc/02/59/35/1224025935.db2.gz MUORXDUQWAZSIK-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216213576 1224039294 /nfs/dbraw/zinc/03/92/94/1224039294.db2.gz OGWLSBZZLMBQNQ-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214178 1224039450 /nfs/dbraw/zinc/03/94/50/1224039450.db2.gz XSDOQPIPOBYSFM-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216493819 1224052904 /nfs/dbraw/zinc/05/29/04/1224052904.db2.gz CGYKTQLPBJBQHJ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001216490655 1224053183 /nfs/dbraw/zinc/05/31/83/1224053183.db2.gz IWSAZUNALQGOGD-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001216800756 1224073724 /nfs/dbraw/zinc/07/37/24/1224073724.db2.gz FJSUZPZJGYFGGX-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001216800756 1224073725 /nfs/dbraw/zinc/07/37/25/1224073725.db2.gz FJSUZPZJGYFGGX-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987509826 1249063680 /nfs/dbraw/zinc/06/36/80/1249063680.db2.gz HWEQWDPTRPNERQ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987509826 1249063693 /nfs/dbraw/zinc/06/36/93/1249063693.db2.gz HWEQWDPTRPNERQ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc(Cc2ccccc2)no1 ZINC000849065900 1245391865 /nfs/dbraw/zinc/39/18/65/1245391865.db2.gz HIOMSPVAYNQJCK-UHFFFAOYSA-N 2 1 358.446 0.997 20 0 FCADMP CCN(C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891463927 1245450885 /nfs/dbraw/zinc/45/08/85/1245450885.db2.gz HGYXHQCBZPOYRW-GOSISDBHSA-N 2 1 360.506 0.987 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517433 1245505024 /nfs/dbraw/zinc/50/50/24/1245505024.db2.gz JHMDIPCIDRNUIP-DZOHQFGASA-N 2 1 356.470 0.670 20 0 FCADMP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000925003433 1245737392 /nfs/dbraw/zinc/73/73/92/1245737392.db2.gz UXXXPYZOAJSJOQ-DLBZAZTESA-N 2 1 358.486 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000938186805 1245835157 /nfs/dbraw/zinc/83/51/57/1245835157.db2.gz YVJGZKKQIJFMKQ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000938832103 1245924977 /nfs/dbraw/zinc/92/49/77/1245924977.db2.gz WAUHWZBTJSFEIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000938832103 1245924981 /nfs/dbraw/zinc/92/49/81/1245924981.db2.gz WAUHWZBTJSFEIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000938832103 1245924985 /nfs/dbraw/zinc/92/49/85/1245924985.db2.gz WAUHWZBTJSFEIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000938832103 1245924992 /nfs/dbraw/zinc/92/49/92/1245924992.db2.gz WAUHWZBTJSFEIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000941548364 1246679496 /nfs/dbraw/zinc/67/94/96/1246679496.db2.gz NQCJWIMBMSLCKD-FRFSOERESA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000941548364 1246679507 /nfs/dbraw/zinc/67/95/07/1246679507.db2.gz NQCJWIMBMSLCKD-FRFSOERESA-N 2 1 371.441 0.384 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946631514 1247926340 /nfs/dbraw/zinc/92/63/40/1247926340.db2.gz LOQAPSHYBLUKQW-YCCFLXJFSA-N 2 1 357.458 0.572 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000946770079 1248002460 /nfs/dbraw/zinc/00/24/60/1248002460.db2.gz IZUFHJIPTBYXAB-FVQBIDKESA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946770079 1248002471 /nfs/dbraw/zinc/00/24/71/1248002471.db2.gz IZUFHJIPTBYXAB-FVQBIDKESA-N 2 1 363.462 0.018 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976611907 1248293493 /nfs/dbraw/zinc/29/34/93/1248293493.db2.gz YOIPYCYPBSVZDK-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@H]32)CC[NH+]1C ZINC000976611907 1248293507 /nfs/dbraw/zinc/29/35/07/1248293507.db2.gz YOIPYCYPBSVZDK-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@H]32)CC[NH+]1C ZINC000976611907 1248293520 /nfs/dbraw/zinc/29/35/20/1248293520.db2.gz YOIPYCYPBSVZDK-SQZHQNNWSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994322583 1250372816 /nfs/dbraw/zinc/37/28/16/1250372816.db2.gz JYXDDQFALKOYIB-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994322581 1250373249 /nfs/dbraw/zinc/37/32/49/1250373249.db2.gz JYXDDQFALKOYIB-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ncnn3CCF)C(C)(C)C2)CC[N@@H+]1C ZINC000995826201 1250994336 /nfs/dbraw/zinc/99/43/36/1250994336.db2.gz PGRPANOEPTXVFU-RBSFLKMASA-N 2 1 366.485 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ncnn3CCF)C(C)(C)C2)CC[N@H+]1C ZINC000995826201 1250994339 /nfs/dbraw/zinc/99/43/39/1250994339.db2.gz PGRPANOEPTXVFU-RBSFLKMASA-N 2 1 366.485 0.914 20 0 FCADMP CCn1ncc(CN[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)n1 ZINC000995957659 1251091752 /nfs/dbraw/zinc/09/17/52/1251091752.db2.gz KTAOXEOBXGUUPK-BMFZPTHFSA-N 2 1 364.494 0.344 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335287 1251319828 /nfs/dbraw/zinc/31/98/28/1251319828.db2.gz XBZOSCGKUWMIMW-IXDOHACOSA-N 2 1 358.486 0.644 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC000996544841 1251377562 /nfs/dbraw/zinc/37/75/62/1251377562.db2.gz LTSQKUPYIRAESY-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000996573695 1251394193 /nfs/dbraw/zinc/39/41/93/1251394193.db2.gz XOZVRTIKKROFRV-MNLARUNXSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000996573695 1251394200 /nfs/dbraw/zinc/39/42/00/1251394200.db2.gz XOZVRTIKKROFRV-MNLARUNXSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000996718758 1251424948 /nfs/dbraw/zinc/42/49/48/1251424948.db2.gz HFZHSSIGVNDYAK-BDXSIMOUSA-N 2 1 371.485 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC000997793066 1251709645 /nfs/dbraw/zinc/70/96/45/1251709645.db2.gz LBEIKHIFGORCKZ-HYVNUMGLSA-N 2 1 360.506 0.934 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC000998624180 1251929239 /nfs/dbraw/zinc/92/92/39/1251929239.db2.gz HKTDDRGPKKRYAM-YVSFHVDLSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCF)C3)nn2)O1 ZINC000999994376 1252265953 /nfs/dbraw/zinc/26/59/53/1252265953.db2.gz XFUVPVTVOLFHGL-FVQBIDKESA-N 2 1 368.457 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCF)C3)nn2)O1 ZINC000999994376 1252265965 /nfs/dbraw/zinc/26/59/65/1252265965.db2.gz XFUVPVTVOLFHGL-FVQBIDKESA-N 2 1 368.457 0.220 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCCF)C3)nn2)O1 ZINC000999994376 1252265970 /nfs/dbraw/zinc/26/59/70/1252265970.db2.gz XFUVPVTVOLFHGL-FVQBIDKESA-N 2 1 368.457 0.220 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCCF)C3)nn2)O1 ZINC000999994376 1252265982 /nfs/dbraw/zinc/26/59/82/1252265982.db2.gz XFUVPVTVOLFHGL-FVQBIDKESA-N 2 1 368.457 0.220 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000184957 1252271268 /nfs/dbraw/zinc/27/12/68/1252271268.db2.gz DOXYBDDTJQIHNI-FVQBIDKESA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000184957 1252271279 /nfs/dbraw/zinc/27/12/79/1252271279.db2.gz DOXYBDDTJQIHNI-FVQBIDKESA-N 2 1 366.506 0.330 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001001878955 1252388018 /nfs/dbraw/zinc/38/80/18/1252388018.db2.gz GRXWEHVWXWUDFO-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001001878955 1252388025 /nfs/dbraw/zinc/38/80/25/1252388025.db2.gz GRXWEHVWXWUDFO-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001001878955 1252388031 /nfs/dbraw/zinc/38/80/31/1252388031.db2.gz GRXWEHVWXWUDFO-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001001878955 1252388038 /nfs/dbraw/zinc/38/80/38/1252388038.db2.gz GRXWEHVWXWUDFO-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001001878955 1252388046 /nfs/dbraw/zinc/38/80/46/1252388046.db2.gz GRXWEHVWXWUDFO-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001002709056 1252649511 /nfs/dbraw/zinc/64/95/11/1252649511.db2.gz NAWCPQLPHCGPPJ-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001002835616 1252695356 /nfs/dbraw/zinc/69/53/56/1252695356.db2.gz QEYLXDPRAIFZJA-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001002835616 1252695366 /nfs/dbraw/zinc/69/53/66/1252695366.db2.gz QEYLXDPRAIFZJA-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002841801 1252701745 /nfs/dbraw/zinc/70/17/45/1252701745.db2.gz XOZVRTIKKROFRV-NHMWIVBRSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002841801 1252701749 /nfs/dbraw/zinc/70/17/49/1252701749.db2.gz XOZVRTIKKROFRV-NHMWIVBRSA-N 2 1 359.474 0.780 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC001002879583 1252726123 /nfs/dbraw/zinc/72/61/23/1252726123.db2.gz HRGHEHNRHUACPJ-GDBMZVCRSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC001002879583 1252726127 /nfs/dbraw/zinc/72/61/27/1252726127.db2.gz HRGHEHNRHUACPJ-GDBMZVCRSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002881035 1252726710 /nfs/dbraw/zinc/72/67/10/1252726710.db2.gz SLXPVPIIOHLDIK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002881035 1252726716 /nfs/dbraw/zinc/72/67/16/1252726716.db2.gz SLXPVPIIOHLDIK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002881035 1252726726 /nfs/dbraw/zinc/72/67/26/1252726726.db2.gz SLXPVPIIOHLDIK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002881035 1252726731 /nfs/dbraw/zinc/72/67/31/1252726731.db2.gz SLXPVPIIOHLDIK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3occc3C[NH+](C)C)C2)CC[N@H+]1C ZINC001003909119 1253148348 /nfs/dbraw/zinc/14/83/48/1253148348.db2.gz GRVXLDAQAGRDJA-CZUORRHYSA-N 2 1 362.474 0.870 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001329204754 1265712031 /nfs/dbraw/zinc/71/20/31/1265712031.db2.gz LZCCITDEASGRHJ-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001004364446 1253298536 /nfs/dbraw/zinc/29/85/36/1253298536.db2.gz FMEXUIRZPHXCPW-JJXSEGSLSA-N 2 1 359.474 0.932 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001329283960 1265726172 /nfs/dbraw/zinc/72/61/72/1265726172.db2.gz NIQCTZZXSKOZBG-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001329283960 1265726177 /nfs/dbraw/zinc/72/61/77/1265726177.db2.gz NIQCTZZXSKOZBG-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001005416337 1253550353 /nfs/dbraw/zinc/55/03/53/1253550353.db2.gz UKSNGYCUHNDQRR-ARFHVFGLSA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC001006181984 1253721926 /nfs/dbraw/zinc/72/19/26/1253721926.db2.gz GLDUVRIEAKGZKK-BHYGNILZSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC001006181984 1253721934 /nfs/dbraw/zinc/72/19/34/1253721934.db2.gz GLDUVRIEAKGZKK-BHYGNILZSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022175318 1253802731 /nfs/dbraw/zinc/80/27/31/1253802731.db2.gz SOGKLJNGDXZSOL-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)CC[N@H+]1C ZINC001022175318 1253802740 /nfs/dbraw/zinc/80/27/40/1253802740.db2.gz SOGKLJNGDXZSOL-WNRNVDISSA-N 2 1 373.501 0.981 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001026917324 1253849303 /nfs/dbraw/zinc/84/93/03/1253849303.db2.gz ZSBMJPMTBDFTSA-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001026917324 1253849315 /nfs/dbraw/zinc/84/93/15/1253849315.db2.gz ZSBMJPMTBDFTSA-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001027416301 1253850886 /nfs/dbraw/zinc/85/08/86/1253850886.db2.gz DGSJITFFIYHDJR-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001027416301 1253850891 /nfs/dbraw/zinc/85/08/91/1253850891.db2.gz DGSJITFFIYHDJR-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001027416301 1253850901 /nfs/dbraw/zinc/85/09/01/1253850901.db2.gz DGSJITFFIYHDJR-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465556 1253857040 /nfs/dbraw/zinc/85/70/40/1253857040.db2.gz WKSTVDCMZWSFFO-ZTFGCOKTSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465556 1253857044 /nfs/dbraw/zinc/85/70/44/1253857044.db2.gz WKSTVDCMZWSFFO-ZTFGCOKTSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465556 1253857047 /nfs/dbraw/zinc/85/70/47/1253857047.db2.gz WKSTVDCMZWSFFO-ZTFGCOKTSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465556 1253857055 /nfs/dbraw/zinc/85/70/55/1253857055.db2.gz WKSTVDCMZWSFFO-ZTFGCOKTSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001329570542 1265784279 /nfs/dbraw/zinc/78/42/79/1265784279.db2.gz RTMOSYOBGXZDQC-IRXDYDNUSA-N 2 1 374.489 0.718 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033184725 1253948653 /nfs/dbraw/zinc/94/86/53/1253948653.db2.gz KCIFSTHILZOLLH-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033184725 1253948656 /nfs/dbraw/zinc/94/86/56/1253948656.db2.gz KCIFSTHILZOLLH-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033184725 1253948657 /nfs/dbraw/zinc/94/86/57/1253948657.db2.gz KCIFSTHILZOLLH-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033184725 1253948660 /nfs/dbraw/zinc/94/86/60/1253948660.db2.gz KCIFSTHILZOLLH-VNQPRFMTSA-N 2 1 365.478 0.562 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001519903510 1265798686 /nfs/dbraw/zinc/79/86/86/1265798686.db2.gz ZJCCKSOKKRTUEB-MAUKXSAKSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001519903518 1265798822 /nfs/dbraw/zinc/79/88/22/1265798822.db2.gz ZJCCKSOKKRTUEB-YJBOKZPZSA-N 2 1 367.538 0.563 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001033835002 1253968686 /nfs/dbraw/zinc/96/86/86/1253968686.db2.gz VLUPROMMYPCEGC-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001033835002 1253968691 /nfs/dbraw/zinc/96/86/91/1253968691.db2.gz VLUPROMMYPCEGC-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001033835002 1253968699 /nfs/dbraw/zinc/96/86/99/1253968699.db2.gz VLUPROMMYPCEGC-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001033835002 1253968703 /nfs/dbraw/zinc/96/87/03/1253968703.db2.gz VLUPROMMYPCEGC-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4ncnn4C)C3)CC2)CC[N@@H+]1C ZINC001035186829 1254020430 /nfs/dbraw/zinc/02/04/30/1254020430.db2.gz KWOWLSRXXGVHLK-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4ncnn4C)C3)CC2)CC[N@H+]1C ZINC001035186829 1254020435 /nfs/dbraw/zinc/02/04/35/1254020435.db2.gz KWOWLSRXXGVHLK-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](Cc4ncnn4C)C3)CC2)CC[NH+]1C ZINC001035186829 1254020441 /nfs/dbraw/zinc/02/04/41/1254020441.db2.gz KWOWLSRXXGVHLK-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ncnn4C)C3)CC2)CC[NH+]1C ZINC001035186829 1254020445 /nfs/dbraw/zinc/02/04/45/1254020445.db2.gz KWOWLSRXXGVHLK-HZPDHXFCSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967422 1254088990 /nfs/dbraw/zinc/08/89/90/1254088990.db2.gz RJGXNPWZCZXUNO-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967422 1254089002 /nfs/dbraw/zinc/08/90/02/1254089002.db2.gz RJGXNPWZCZXUNO-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967422 1254089023 /nfs/dbraw/zinc/08/90/23/1254089023.db2.gz RJGXNPWZCZXUNO-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+](CC)CC)CCO2)CC[N@H+]1C ZINC001065178521 1254479803 /nfs/dbraw/zinc/47/98/03/1254479803.db2.gz UCCTXDZQBGVBBU-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065406894 1254529297 /nfs/dbraw/zinc/52/92/97/1254529297.db2.gz OVIBIDCXKDUYPM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065406894 1254529319 /nfs/dbraw/zinc/52/93/19/1254529319.db2.gz OVIBIDCXKDUYPM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065406894 1254529333 /nfs/dbraw/zinc/52/93/33/1254529333.db2.gz OVIBIDCXKDUYPM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001077612792 1254775201 /nfs/dbraw/zinc/77/52/01/1254775201.db2.gz PJLMVNUUKQLZKD-RTBURBONSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001077612792 1254775207 /nfs/dbraw/zinc/77/52/07/1254775207.db2.gz PJLMVNUUKQLZKD-RTBURBONSA-N 2 1 361.486 0.836 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cc1 ZINC001077675484 1254856127 /nfs/dbraw/zinc/85/61/27/1254856127.db2.gz OQUCYGOHDCXINW-ATZDWAIDSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1 ZINC001077675484 1254856139 /nfs/dbraw/zinc/85/61/39/1254856139.db2.gz OQUCYGOHDCXINW-ATZDWAIDSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1 ZINC001077675484 1254856150 /nfs/dbraw/zinc/85/61/50/1254856150.db2.gz OQUCYGOHDCXINW-ATZDWAIDSA-N 2 1 361.486 0.883 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001077680304 1254865264 /nfs/dbraw/zinc/86/52/64/1254865264.db2.gz ABRYGGKUZMSBRY-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001077680304 1254865285 /nfs/dbraw/zinc/86/52/85/1254865285.db2.gz ABRYGGKUZMSBRY-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001077680304 1254865295 /nfs/dbraw/zinc/86/52/95/1254865295.db2.gz ABRYGGKUZMSBRY-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001077680304 1254865303 /nfs/dbraw/zinc/86/53/03/1254865303.db2.gz ABRYGGKUZMSBRY-BHIYHBOVSA-N 2 1 361.486 0.877 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680805 1254869374 /nfs/dbraw/zinc/86/93/74/1254869374.db2.gz XAHQDUKMJLKULR-MDZRGWNJSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680805 1254869390 /nfs/dbraw/zinc/86/93/90/1254869390.db2.gz XAHQDUKMJLKULR-MDZRGWNJSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680805 1254869404 /nfs/dbraw/zinc/86/94/04/1254869404.db2.gz XAHQDUKMJLKULR-MDZRGWNJSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680805 1254869419 /nfs/dbraw/zinc/86/94/19/1254869419.db2.gz XAHQDUKMJLKULR-MDZRGWNJSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)CC1 ZINC001077923977 1255105119 /nfs/dbraw/zinc/10/51/19/1255105119.db2.gz MIOCZSUYEGDOOB-QZTJIDSGSA-N 2 1 363.506 0.244 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078006266 1255161914 /nfs/dbraw/zinc/16/19/14/1255161914.db2.gz XXGZVZBIRLPUOE-GUDVDZBRSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078006266 1255161917 /nfs/dbraw/zinc/16/19/17/1255161917.db2.gz XXGZVZBIRLPUOE-GUDVDZBRSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078006266 1255161920 /nfs/dbraw/zinc/16/19/20/1255161920.db2.gz XXGZVZBIRLPUOE-GUDVDZBRSA-N 2 1 361.486 0.836 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005936 1255161929 /nfs/dbraw/zinc/16/19/29/1255161929.db2.gz NIWDXVBAVARNFA-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078005936 1255161933 /nfs/dbraw/zinc/16/19/33/1255161933.db2.gz NIWDXVBAVARNFA-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078005936 1255161936 /nfs/dbraw/zinc/16/19/36/1255161936.db2.gz NIWDXVBAVARNFA-SZVBFZGTSA-N 2 1 360.502 0.756 20 0 FCADMP CCc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175875 1255289771 /nfs/dbraw/zinc/28/97/71/1255289771.db2.gz PYJRVIAHNHFUJA-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175875 1255289774 /nfs/dbraw/zinc/28/97/74/1255289774.db2.gz PYJRVIAHNHFUJA-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175875 1255289780 /nfs/dbraw/zinc/28/97/80/1255289780.db2.gz PYJRVIAHNHFUJA-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175875 1255289783 /nfs/dbraw/zinc/28/97/83/1255289783.db2.gz PYJRVIAHNHFUJA-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175791 1255290921 /nfs/dbraw/zinc/29/09/21/1255290921.db2.gz MMMJGCAMCQNPEO-ARFHVFGLSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175791 1255290928 /nfs/dbraw/zinc/29/09/28/1255290928.db2.gz MMMJGCAMCQNPEO-ARFHVFGLSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175791 1255290936 /nfs/dbraw/zinc/29/09/36/1255290936.db2.gz MMMJGCAMCQNPEO-ARFHVFGLSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175791 1255290945 /nfs/dbraw/zinc/29/09/45/1255290945.db2.gz MMMJGCAMCQNPEO-ARFHVFGLSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001078182079 1255296660 /nfs/dbraw/zinc/29/66/60/1255296660.db2.gz DZZXEHZYMXGKGM-QZTJIDSGSA-N 2 1 358.442 0.604 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001078182079 1255296664 /nfs/dbraw/zinc/29/66/64/1255296664.db2.gz DZZXEHZYMXGKGM-QZTJIDSGSA-N 2 1 358.442 0.604 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)cn1 ZINC001078224301 1255335462 /nfs/dbraw/zinc/33/54/62/1255335462.db2.gz CKUURIVPZWNRSW-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)cn1 ZINC001078224301 1255335470 /nfs/dbraw/zinc/33/54/70/1255335470.db2.gz CKUURIVPZWNRSW-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cncn3C)C2)CC[N@H+]1C ZINC001078403598 1255406877 /nfs/dbraw/zinc/40/68/77/1255406877.db2.gz CTOZHYXLFYDFLX-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncn3C)C2)CC[N@@H+]1C ZINC001078404295 1255409219 /nfs/dbraw/zinc/40/92/19/1255409219.db2.gz XNABCTIUJXQXFT-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nncn3C)C2)CC[N@H+]1C ZINC001078404295 1255409223 /nfs/dbraw/zinc/40/92/23/1255409223.db2.gz XNABCTIUJXQXFT-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cccnc3)C2)O1 ZINC001078418642 1255410127 /nfs/dbraw/zinc/41/01/27/1255410127.db2.gz STDNHWHEDGFBKX-KBAYOESNSA-N 2 1 362.474 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cccnc3)C2)O1 ZINC001078418642 1255410131 /nfs/dbraw/zinc/41/01/31/1255410131.db2.gz STDNHWHEDGFBKX-KBAYOESNSA-N 2 1 362.474 0.508 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079273617 1255497004 /nfs/dbraw/zinc/49/70/04/1255497004.db2.gz GSAOVGVQGLRXEY-BHYGNILZSA-N 2 1 362.474 0.512 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494429 1255528364 /nfs/dbraw/zinc/52/83/64/1255528364.db2.gz CZBFFZICRUYNGM-QBIMZIAESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494429 1255528369 /nfs/dbraw/zinc/52/83/69/1255528369.db2.gz CZBFFZICRUYNGM-QBIMZIAESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494429 1255528374 /nfs/dbraw/zinc/52/83/74/1255528374.db2.gz CZBFFZICRUYNGM-QBIMZIAESA-N 2 1 356.474 0.999 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710234 1255581786 /nfs/dbraw/zinc/58/17/86/1255581786.db2.gz ANMUQSDGMZWKNE-FSPWUOQZSA-N 2 1 360.506 0.673 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950112 1255676706 /nfs/dbraw/zinc/67/67/06/1255676706.db2.gz BBALRERXGLKLBV-MUIFIZLQSA-N 2 1 362.474 0.041 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950112 1255676713 /nfs/dbraw/zinc/67/67/13/1255676713.db2.gz BBALRERXGLKLBV-MUIFIZLQSA-N 2 1 362.474 0.041 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950112 1255676723 /nfs/dbraw/zinc/67/67/23/1255676723.db2.gz BBALRERXGLKLBV-MUIFIZLQSA-N 2 1 362.474 0.041 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950112 1255676728 /nfs/dbraw/zinc/67/67/28/1255676728.db2.gz BBALRERXGLKLBV-MUIFIZLQSA-N 2 1 362.474 0.041 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080014280 1255707904 /nfs/dbraw/zinc/70/79/04/1255707904.db2.gz PFARMOFMZJDWMX-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080014280 1255707909 /nfs/dbraw/zinc/70/79/09/1255707909.db2.gz PFARMOFMZJDWMX-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080014280 1255707915 /nfs/dbraw/zinc/70/79/15/1255707915.db2.gz PFARMOFMZJDWMX-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080014280 1255707918 /nfs/dbraw/zinc/70/79/18/1255707918.db2.gz PFARMOFMZJDWMX-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080140077 1255758255 /nfs/dbraw/zinc/75/82/55/1255758255.db2.gz HWHINKGVFREDFK-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080140077 1255758258 /nfs/dbraw/zinc/75/82/58/1255758258.db2.gz HWHINKGVFREDFK-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080140077 1255758263 /nfs/dbraw/zinc/75/82/63/1255758263.db2.gz HWHINKGVFREDFK-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080140077 1255758265 /nfs/dbraw/zinc/75/82/65/1255758265.db2.gz HWHINKGVFREDFK-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164500 1255769153 /nfs/dbraw/zinc/76/91/53/1255769153.db2.gz DQTKQKHCKYNODQ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164500 1255769162 /nfs/dbraw/zinc/76/91/62/1255769162.db2.gz DQTKQKHCKYNODQ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164500 1255769166 /nfs/dbraw/zinc/76/91/66/1255769166.db2.gz DQTKQKHCKYNODQ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164500 1255769174 /nfs/dbraw/zinc/76/91/74/1255769174.db2.gz DQTKQKHCKYNODQ-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188810 1255778096 /nfs/dbraw/zinc/77/80/96/1255778096.db2.gz TWGNMKHLNWLCCL-OIISXLGYSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080441334 1255889119 /nfs/dbraw/zinc/88/91/19/1255889119.db2.gz JAISCLHMERIYQG-RKVPGOIHSA-N 2 1 366.485 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080441334 1255889130 /nfs/dbraw/zinc/88/91/30/1255889130.db2.gz JAISCLHMERIYQG-RKVPGOIHSA-N 2 1 366.485 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080441334 1255889140 /nfs/dbraw/zinc/88/91/40/1255889140.db2.gz JAISCLHMERIYQG-RKVPGOIHSA-N 2 1 366.485 0.927 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080557541 1255930784 /nfs/dbraw/zinc/93/07/84/1255930784.db2.gz YRQBDDZFIMLAEA-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080557541 1255930793 /nfs/dbraw/zinc/93/07/93/1255930793.db2.gz YRQBDDZFIMLAEA-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080557541 1255930797 /nfs/dbraw/zinc/93/07/97/1255930797.db2.gz YRQBDDZFIMLAEA-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080679442 1255981870 /nfs/dbraw/zinc/98/18/70/1255981870.db2.gz FGOYGBAOTRUCJS-RHSMWYFYSA-N 2 1 366.429 0.609 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080679442 1255981872 /nfs/dbraw/zinc/98/18/72/1255981872.db2.gz FGOYGBAOTRUCJS-RHSMWYFYSA-N 2 1 366.429 0.609 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787685 1256038980 /nfs/dbraw/zinc/03/89/80/1256038980.db2.gz NTPKPMSCGJJAOM-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787685 1256038986 /nfs/dbraw/zinc/03/89/86/1256038986.db2.gz NTPKPMSCGJJAOM-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789009 1256040167 /nfs/dbraw/zinc/04/01/67/1256040167.db2.gz MZVWZLFPUPEWFG-OIISXLGYSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789009 1256040173 /nfs/dbraw/zinc/04/01/73/1256040173.db2.gz MZVWZLFPUPEWFG-OIISXLGYSA-N 2 1 360.502 0.672 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081097814 1256176870 /nfs/dbraw/zinc/17/68/70/1256176870.db2.gz GXFGORKPBZAQGV-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001081146453 1256193430 /nfs/dbraw/zinc/19/34/30/1256193430.db2.gz HJVQZGDSPXFGAS-BHYGNILZSA-N 2 1 355.442 0.650 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691700 1256336106 /nfs/dbraw/zinc/33/61/06/1256336106.db2.gz LSZFIGFSUCHMPP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691700 1256336111 /nfs/dbraw/zinc/33/61/11/1256336111.db2.gz LSZFIGFSUCHMPP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691700 1256336116 /nfs/dbraw/zinc/33/61/16/1256336116.db2.gz LSZFIGFSUCHMPP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691700 1256336124 /nfs/dbraw/zinc/33/61/24/1256336124.db2.gz LSZFIGFSUCHMPP-BNEJOLLZSA-N 2 1 374.485 0.441 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959514 1256474081 /nfs/dbraw/zinc/47/40/81/1256474081.db2.gz LBCVNPQSDVDTPJ-MOXMWUHRSA-N 2 1 363.502 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959514 1256474084 /nfs/dbraw/zinc/47/40/84/1256474084.db2.gz LBCVNPQSDVDTPJ-MOXMWUHRSA-N 2 1 363.502 0.855 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959514 1256474088 /nfs/dbraw/zinc/47/40/88/1256474088.db2.gz LBCVNPQSDVDTPJ-MOXMWUHRSA-N 2 1 363.502 0.855 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@H](OC)C2)cn1 ZINC001082133613 1256550083 /nfs/dbraw/zinc/55/00/83/1256550083.db2.gz JUCGTQOYVMUWBG-CGTJXYLNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@H](OC)C2)cn1 ZINC001082133613 1256550087 /nfs/dbraw/zinc/55/00/87/1256550087.db2.gz JUCGTQOYVMUWBG-CGTJXYLNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](OC)C2)cn1 ZINC001082133613 1256550090 /nfs/dbraw/zinc/55/00/90/1256550090.db2.gz JUCGTQOYVMUWBG-CGTJXYLNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@H](OC)C2)cn1 ZINC001082133613 1256550095 /nfs/dbraw/zinc/55/00/95/1256550095.db2.gz JUCGTQOYVMUWBG-CGTJXYLNSA-N 2 1 363.506 0.745 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001082199913 1256587039 /nfs/dbraw/zinc/58/70/39/1256587039.db2.gz IVYCXDYSKRUGHF-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001082199913 1256587044 /nfs/dbraw/zinc/58/70/44/1256587044.db2.gz IVYCXDYSKRUGHF-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001082199913 1256587047 /nfs/dbraw/zinc/58/70/47/1256587047.db2.gz IVYCXDYSKRUGHF-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001082199913 1256587051 /nfs/dbraw/zinc/58/70/51/1256587051.db2.gz IVYCXDYSKRUGHF-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328071 1256669806 /nfs/dbraw/zinc/66/98/06/1256669806.db2.gz BNLUWAIMTBEFIR-HUUCEWRRSA-N 2 1 363.462 0.222 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328071 1256669812 /nfs/dbraw/zinc/66/98/12/1256669812.db2.gz BNLUWAIMTBEFIR-HUUCEWRRSA-N 2 1 363.462 0.222 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328618 1256670766 /nfs/dbraw/zinc/67/07/66/1256670766.db2.gz CIZUFXPJHOCBDB-IAGOWNOFSA-N 2 1 371.441 0.634 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328618 1256670773 /nfs/dbraw/zinc/67/07/73/1256670773.db2.gz CIZUFXPJHOCBDB-IAGOWNOFSA-N 2 1 371.441 0.634 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328471 1256670850 /nfs/dbraw/zinc/67/08/50/1256670850.db2.gz VLSDANBSZAXGDP-IAGOWNOFSA-N 2 1 362.474 0.957 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328471 1256670856 /nfs/dbraw/zinc/67/08/56/1256670856.db2.gz VLSDANBSZAXGDP-IAGOWNOFSA-N 2 1 362.474 0.957 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328596 1256671137 /nfs/dbraw/zinc/67/11/37/1256671137.db2.gz BIVIPEPDBOGKHO-FGTMMUONSA-N 2 1 365.518 0.839 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082458209 1256770399 /nfs/dbraw/zinc/77/03/99/1256770399.db2.gz CERYEFOQUIUEJL-XYPHTWIQSA-N 2 1 360.458 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082458209 1256770403 /nfs/dbraw/zinc/77/04/03/1256770403.db2.gz CERYEFOQUIUEJL-XYPHTWIQSA-N 2 1 360.458 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCn1cccn1 ZINC001082557964 1256853248 /nfs/dbraw/zinc/85/32/48/1256853248.db2.gz QXVHTFVPJGJMDX-BRWVUGGUSA-N 2 1 359.478 0.147 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082559470 1256856895 /nfs/dbraw/zinc/85/68/95/1256856895.db2.gz GGXGEEUGBWPLTM-DDUZABMNSA-N 2 1 360.506 0.891 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082570192 1256876942 /nfs/dbraw/zinc/87/69/42/1256876942.db2.gz BJWSWBLPCWBLMA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082590344 1256903227 /nfs/dbraw/zinc/90/32/27/1256903227.db2.gz QSHAFBVHUDWLCA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082590344 1256903235 /nfs/dbraw/zinc/90/32/35/1256903235.db2.gz QSHAFBVHUDWLCA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)ccc2c[nH+]cn21 ZINC001082609503 1256920515 /nfs/dbraw/zinc/92/05/15/1256920515.db2.gz ONYHCLPGHAIXFP-IAQYHMDHSA-N 2 1 354.418 0.417 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)cc1=O ZINC001082646661 1256952063 /nfs/dbraw/zinc/95/20/63/1256952063.db2.gz KUJAXAMGEPIONK-IUODEOHRSA-N 2 1 360.414 0.790 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082647740 1256952392 /nfs/dbraw/zinc/95/23/92/1256952392.db2.gz DVCDJYLRPDFEEH-FVQBIDKESA-N 2 1 359.474 0.429 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082653593 1256957900 /nfs/dbraw/zinc/95/79/00/1256957900.db2.gz SLJPDIFEYOKVIJ-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082698769 1256992114 /nfs/dbraw/zinc/99/21/14/1256992114.db2.gz ZXZBAFKHNMWCNU-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C4CC4)nn3C)C2)C1 ZINC001082742676 1257022027 /nfs/dbraw/zinc/02/20/27/1257022027.db2.gz OINRRWGVXQEDLN-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C4CC4)nn3C)C2)C1 ZINC001082742676 1257022037 /nfs/dbraw/zinc/02/20/37/1257022037.db2.gz OINRRWGVXQEDLN-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082742677 1257022383 /nfs/dbraw/zinc/02/23/83/1257022383.db2.gz OINRRWGVXQEDLN-SQWLQELKSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082742677 1257022391 /nfs/dbraw/zinc/02/23/91/1257022391.db2.gz OINRRWGVXQEDLN-SQWLQELKSA-N 2 1 360.506 0.971 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)C2 ZINC001082743379 1257022592 /nfs/dbraw/zinc/02/25/92/1257022592.db2.gz XJAYFYAPOMDOCR-SUYBPPKGSA-N 2 1 357.462 0.519 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742889 1257023254 /nfs/dbraw/zinc/02/32/54/1257023254.db2.gz VROMCIAGAYUWSP-ARFHVFGLSA-N 2 1 363.510 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742889 1257023263 /nfs/dbraw/zinc/02/32/63/1257023263.db2.gz VROMCIAGAYUWSP-ARFHVFGLSA-N 2 1 363.510 0.752 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001082774137 1257045336 /nfs/dbraw/zinc/04/53/36/1257045336.db2.gz BRHCQOYIMRNHEV-MGPQQGTHSA-N 2 1 361.446 0.248 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114087 1266085349 /nfs/dbraw/zinc/08/53/49/1266085349.db2.gz UUPMRWPOFDGIIV-BRWVUGGUSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114087 1266085357 /nfs/dbraw/zinc/08/53/57/1266085357.db2.gz UUPMRWPOFDGIIV-BRWVUGGUSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082826702 1257084357 /nfs/dbraw/zinc/08/43/57/1257084357.db2.gz DTZOGNUITYVVPG-RHSMWYFYSA-N 2 1 368.441 0.550 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082827001 1257085237 /nfs/dbraw/zinc/08/52/37/1257085237.db2.gz WVXLVUNVUPGDQB-DAXOMENPSA-N 2 1 354.414 0.206 20 0 FCADMP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC001082828894 1257085371 /nfs/dbraw/zinc/08/53/71/1257085371.db2.gz ONBPLWNWXLZKMN-DVOMOZLQSA-N 2 1 365.478 0.986 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082851760 1257104006 /nfs/dbraw/zinc/10/40/06/1257104006.db2.gz ASQOPIPQUJWYAF-RHSMWYFYSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082852152 1257104833 /nfs/dbraw/zinc/10/48/33/1257104833.db2.gz WJBHJNHZJAYUCP-CZUORRHYSA-N 2 1 361.494 0.269 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082861653 1257113526 /nfs/dbraw/zinc/11/35/26/1257113526.db2.gz JWIKNLDWENIQKW-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082861653 1257113533 /nfs/dbraw/zinc/11/35/33/1257113533.db2.gz JWIKNLDWENIQKW-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861638 1257113604 /nfs/dbraw/zinc/11/36/04/1257113604.db2.gz JGZGQEKNJSELEA-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082861638 1257113606 /nfs/dbraw/zinc/11/36/06/1257113606.db2.gz JGZGQEKNJSELEA-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001082921896 1257145745 /nfs/dbraw/zinc/14/57/45/1257145745.db2.gz UFTGYWFOYYYQRW-MZMPZRCHSA-N 2 1 362.449 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082920256 1257145756 /nfs/dbraw/zinc/14/57/56/1257145756.db2.gz WUXFCODMELRJOH-VNQPRFMTSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082920256 1257145757 /nfs/dbraw/zinc/14/57/57/1257145757.db2.gz WUXFCODMELRJOH-VNQPRFMTSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082920803 1257145791 /nfs/dbraw/zinc/14/57/91/1257145791.db2.gz FYTYLZICOHUEFB-UMVBOHGHSA-N 2 1 371.445 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082920803 1257145795 /nfs/dbraw/zinc/14/57/95/1257145795.db2.gz FYTYLZICOHUEFB-UMVBOHGHSA-N 2 1 371.445 0.415 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001082933762 1257154242 /nfs/dbraw/zinc/15/42/42/1257154242.db2.gz IVOFISFIIRVMQY-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001082933762 1257154247 /nfs/dbraw/zinc/15/42/47/1257154247.db2.gz IVOFISFIIRVMQY-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)C1 ZINC001082934050 1257154261 /nfs/dbraw/zinc/15/42/61/1257154261.db2.gz VZSHLDOIGZUYCG-BMFZPTHFSA-N 2 1 363.462 0.142 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nn3)C2)C1 ZINC001082934050 1257154263 /nfs/dbraw/zinc/15/42/63/1257154263.db2.gz VZSHLDOIGZUYCG-BMFZPTHFSA-N 2 1 363.462 0.142 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)C1 ZINC001082933887 1257154673 /nfs/dbraw/zinc/15/46/73/1257154673.db2.gz NNLNRCPEIOGCNR-ZTFGCOKTSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)C1 ZINC001082933887 1257154677 /nfs/dbraw/zinc/15/46/77/1257154677.db2.gz NNLNRCPEIOGCNR-ZTFGCOKTSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[N@H+]1C ZINC001083086032 1257288525 /nfs/dbraw/zinc/28/85/25/1257288525.db2.gz ZZXWNXAGHRSILA-NRSFXHEJSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[NH+]1C ZINC001083086032 1257288532 /nfs/dbraw/zinc/28/85/32/1257288532.db2.gz ZZXWNXAGHRSILA-NRSFXHEJSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[NH+]1C ZINC001083086032 1257288534 /nfs/dbraw/zinc/28/85/34/1257288534.db2.gz ZZXWNXAGHRSILA-NRSFXHEJSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC001521266399 1266107080 /nfs/dbraw/zinc/10/70/80/1266107080.db2.gz NGHCLFHTDBFUNT-PVAVHDDUSA-N 2 1 358.490 0.549 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4)C[C@@H]32)O1 ZINC001083119243 1257351048 /nfs/dbraw/zinc/35/10/48/1257351048.db2.gz JHRBXWUZXVZCAS-GSEOLPGOSA-N 2 1 373.497 0.860 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4)C[C@@H]32)O1 ZINC001083119243 1257351057 /nfs/dbraw/zinc/35/10/57/1257351057.db2.gz JHRBXWUZXVZCAS-GSEOLPGOSA-N 2 1 373.497 0.860 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)O1 ZINC001083119243 1257351066 /nfs/dbraw/zinc/35/10/66/1257351066.db2.gz JHRBXWUZXVZCAS-GSEOLPGOSA-N 2 1 373.497 0.860 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccccc4)C[C@@H]32)O1 ZINC001083119243 1257351071 /nfs/dbraw/zinc/35/10/71/1257351071.db2.gz JHRBXWUZXVZCAS-GSEOLPGOSA-N 2 1 373.497 0.860 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21)[NH+](C)C ZINC001083119785 1257352299 /nfs/dbraw/zinc/35/22/99/1257352299.db2.gz KSQSLCJJTCIGFN-FCGDIQPGSA-N 2 1 361.486 0.972 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21)[NH+](C)C ZINC001083119785 1257352308 /nfs/dbraw/zinc/35/23/08/1257352308.db2.gz KSQSLCJJTCIGFN-FCGDIQPGSA-N 2 1 361.486 0.972 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CCC1 ZINC001083143875 1257397234 /nfs/dbraw/zinc/39/72/34/1257397234.db2.gz FLEKHASUGVLFBK-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CCC1 ZINC001083143875 1257397244 /nfs/dbraw/zinc/39/72/44/1257397244.db2.gz FLEKHASUGVLFBK-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@@H+](C)CCN1C ZINC001521342329 1266113816 /nfs/dbraw/zinc/11/38/16/1266113816.db2.gz FYYPASUKPTWLAJ-NVXWUHKLSA-N 2 1 351.495 0.987 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)n1 ZINC001083644918 1257462787 /nfs/dbraw/zinc/46/27/87/1257462787.db2.gz CDHJJOHOMLKTBA-CVEARBPZSA-N 2 1 370.413 0.433 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)n1 ZINC001083644918 1257462790 /nfs/dbraw/zinc/46/27/90/1257462790.db2.gz CDHJJOHOMLKTBA-CVEARBPZSA-N 2 1 370.413 0.433 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723586 1257468268 /nfs/dbraw/zinc/46/82/68/1257468268.db2.gz QOCCCTHNZXIGNM-SQNIBIBYSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723586 1257468272 /nfs/dbraw/zinc/46/82/72/1257468272.db2.gz QOCCCTHNZXIGNM-SQNIBIBYSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723586 1257468277 /nfs/dbraw/zinc/46/82/77/1257468277.db2.gz QOCCCTHNZXIGNM-SQNIBIBYSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083723586 1257468281 /nfs/dbraw/zinc/46/82/81/1257468281.db2.gz QOCCCTHNZXIGNM-SQNIBIBYSA-N 2 1 365.518 0.837 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001083749905 1257489604 /nfs/dbraw/zinc/48/96/04/1257489604.db2.gz WCOPRYCRKLUEMS-QYZOEREBSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC1 ZINC001083833723 1257587150 /nfs/dbraw/zinc/58/71/50/1257587150.db2.gz RGCXGHAEKXDKRS-QRVBRYPASA-N 2 1 361.486 0.613 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895913 1257671109 /nfs/dbraw/zinc/67/11/09/1257671109.db2.gz MCASBWQDLLMDHQ-OLMNPRSZSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895913 1257671112 /nfs/dbraw/zinc/67/11/12/1257671112.db2.gz MCASBWQDLLMDHQ-OLMNPRSZSA-N 2 1 371.441 0.469 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954800 1257743808 /nfs/dbraw/zinc/74/38/08/1257743808.db2.gz JIMAQUFZCLGPJS-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954800 1257743817 /nfs/dbraw/zinc/74/38/17/1257743817.db2.gz JIMAQUFZCLGPJS-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954800 1257743823 /nfs/dbraw/zinc/74/38/23/1257743823.db2.gz JIMAQUFZCLGPJS-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954800 1257743828 /nfs/dbraw/zinc/74/38/28/1257743828.db2.gz JIMAQUFZCLGPJS-QGTPRVQTSA-N 2 1 365.449 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958534 1257747873 /nfs/dbraw/zinc/74/78/73/1257747873.db2.gz KRUIGTJZLCOFLR-MOPGFXCFSA-N 2 1 366.465 0.992 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958048 1257748805 /nfs/dbraw/zinc/74/88/05/1257748805.db2.gz WKLHWEJOZFRGNM-IKGGRYGDSA-N 2 1 363.433 0.116 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958048 1257748808 /nfs/dbraw/zinc/74/88/08/1257748808.db2.gz WKLHWEJOZFRGNM-IKGGRYGDSA-N 2 1 363.433 0.116 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001084056734 1257868071 /nfs/dbraw/zinc/86/80/71/1257868071.db2.gz LIBRKCNCAVYZKY-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001084056734 1257868076 /nfs/dbraw/zinc/86/80/76/1257868076.db2.gz LIBRKCNCAVYZKY-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001084056734 1257868081 /nfs/dbraw/zinc/86/80/81/1257868081.db2.gz LIBRKCNCAVYZKY-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001084056734 1257868087 /nfs/dbraw/zinc/86/80/87/1257868087.db2.gz LIBRKCNCAVYZKY-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077986 1257904463 /nfs/dbraw/zinc/90/44/63/1257904463.db2.gz JEURRPVCXSUJGG-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077986 1257904467 /nfs/dbraw/zinc/90/44/67/1257904467.db2.gz JEURRPVCXSUJGG-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077986 1257904470 /nfs/dbraw/zinc/90/44/70/1257904470.db2.gz JEURRPVCXSUJGG-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077986 1257904476 /nfs/dbraw/zinc/90/44/76/1257904476.db2.gz JEURRPVCXSUJGG-CEXWTWQISA-N 2 1 361.486 0.685 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCOC4)C[C@H]32)n1 ZINC001084351863 1258044087 /nfs/dbraw/zinc/04/40/87/1258044087.db2.gz BWHUZXHOSZOSBD-JFIYKMOQSA-N 2 1 361.490 0.628 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001521663518 1266160567 /nfs/dbraw/zinc/16/05/67/1266160567.db2.gz IEXRSHWBHVDFFM-LESCRADOSA-N 2 1 350.507 0.951 20 0 FCADMP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+](CCC4)C5)[C@@H]3C2)C1=O ZINC001084442508 1258113659 /nfs/dbraw/zinc/11/36/59/1258113659.db2.gz ISWWHFYTXBUHCD-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+](CCC4)C5)[C@@H]3C2)C1=O ZINC001084442508 1258113664 /nfs/dbraw/zinc/11/36/64/1258113664.db2.gz ISWWHFYTXBUHCD-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484047 1258129016 /nfs/dbraw/zinc/12/90/16/1258129016.db2.gz AJXRDWRZYCEEFN-IXDOHACOSA-N 2 1 360.502 0.768 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484047 1258129018 /nfs/dbraw/zinc/12/90/18/1258129018.db2.gz AJXRDWRZYCEEFN-IXDOHACOSA-N 2 1 360.502 0.768 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532584 1258155413 /nfs/dbraw/zinc/15/54/13/1258155413.db2.gz DISXOGOJWQMYKK-LIAUFEBVSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532584 1258155416 /nfs/dbraw/zinc/15/54/16/1258155416.db2.gz DISXOGOJWQMYKK-LIAUFEBVSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532584 1258155418 /nfs/dbraw/zinc/15/54/18/1258155418.db2.gz DISXOGOJWQMYKK-LIAUFEBVSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532584 1258155423 /nfs/dbraw/zinc/15/54/23/1258155423.db2.gz DISXOGOJWQMYKK-LIAUFEBVSA-N 2 1 371.485 0.316 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001331185027 1266165653 /nfs/dbraw/zinc/16/56/53/1266165653.db2.gz NDYNZNCVERJHLZ-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084599658 1258191711 /nfs/dbraw/zinc/19/17/11/1258191711.db2.gz PDMRDZCEZAXRJV-KZNAEPCWSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084599658 1258191714 /nfs/dbraw/zinc/19/17/14/1258191714.db2.gz PDMRDZCEZAXRJV-KZNAEPCWSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084599658 1258191717 /nfs/dbraw/zinc/19/17/17/1258191717.db2.gz PDMRDZCEZAXRJV-KZNAEPCWSA-N 2 1 360.506 0.933 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]32)cc1=O ZINC001084903650 1258429450 /nfs/dbraw/zinc/42/94/50/1258429450.db2.gz LTASXEJAEPZRJF-SQNIBIBYSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]32)cc1=O ZINC001084903650 1258429452 /nfs/dbraw/zinc/42/94/52/1258429452.db2.gz LTASXEJAEPZRJF-SQNIBIBYSA-N 2 1 358.486 0.902 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]32)cc1=O ZINC001084903650 1258429455 /nfs/dbraw/zinc/42/94/55/1258429455.db2.gz LTASXEJAEPZRJF-SQNIBIBYSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)CC[N@H+]1C ZINC001084943480 1258455706 /nfs/dbraw/zinc/45/57/06/1258455706.db2.gz FQDPBYNPOJKGHP-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)CC[NH+]1C ZINC001084943480 1258455709 /nfs/dbraw/zinc/45/57/09/1258455709.db2.gz FQDPBYNPOJKGHP-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)CC[NH+]1C ZINC001084943480 1258455713 /nfs/dbraw/zinc/45/57/13/1258455713.db2.gz FQDPBYNPOJKGHP-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21)C1CC1 ZINC001084958203 1258469967 /nfs/dbraw/zinc/46/99/67/1258469967.db2.gz QGTADBIDZBQZPQ-DKSSEZFCSA-N 2 1 362.518 0.870 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001084990145 1258502325 /nfs/dbraw/zinc/50/23/25/1258502325.db2.gz BWWSXVCKNBPSDH-PBHICJAKSA-N 2 1 355.442 0.959 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170360 1258691512 /nfs/dbraw/zinc/69/15/12/1258691512.db2.gz OURVPTBRUFRHDR-BBWFWOEESA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170360 1258691520 /nfs/dbraw/zinc/69/15/20/1258691520.db2.gz OURVPTBRUFRHDR-BBWFWOEESA-N 2 1 363.506 0.134 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088170360 1258691528 /nfs/dbraw/zinc/69/15/28/1258691528.db2.gz OURVPTBRUFRHDR-BBWFWOEESA-N 2 1 363.506 0.134 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)N1CCCC1 ZINC001088171994 1258691902 /nfs/dbraw/zinc/69/19/02/1258691902.db2.gz QKBXUEGFFYJBAO-SJORKVTESA-N 2 1 360.502 0.485 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172149 1258693522 /nfs/dbraw/zinc/69/35/22/1258693522.db2.gz YEXGEOMTYRIIIZ-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200265 1258721242 /nfs/dbraw/zinc/72/12/42/1258721242.db2.gz VQKHNITXOWJBNR-SQNIBIBYSA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200265 1258721246 /nfs/dbraw/zinc/72/12/46/1258721246.db2.gz VQKHNITXOWJBNR-SQNIBIBYSA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200265 1258721249 /nfs/dbraw/zinc/72/12/49/1258721249.db2.gz VQKHNITXOWJBNR-SQNIBIBYSA-N 2 1 360.506 0.627 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088201172 1258724417 /nfs/dbraw/zinc/72/44/17/1258724417.db2.gz OVKRHLPNLNCCAD-IKGGRYGDSA-N 2 1 358.490 0.642 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207983 1258730918 /nfs/dbraw/zinc/73/09/18/1258730918.db2.gz GIZMWFLJERFIQA-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207983 1258730921 /nfs/dbraw/zinc/73/09/21/1258730921.db2.gz GIZMWFLJERFIQA-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207983 1258730925 /nfs/dbraw/zinc/73/09/25/1258730925.db2.gz GIZMWFLJERFIQA-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)C1 ZINC001088207983 1258730932 /nfs/dbraw/zinc/73/09/32/1258730932.db2.gz GIZMWFLJERFIQA-SOLBZPMBSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208297 1258732318 /nfs/dbraw/zinc/73/23/18/1258732318.db2.gz UCZDEWJLPOOIRH-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208297 1258732324 /nfs/dbraw/zinc/73/23/24/1258732324.db2.gz UCZDEWJLPOOIRH-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208297 1258732329 /nfs/dbraw/zinc/73/23/29/1258732329.db2.gz UCZDEWJLPOOIRH-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001088208297 1258732334 /nfs/dbraw/zinc/73/23/34/1258732334.db2.gz UCZDEWJLPOOIRH-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671263 1258812079 /nfs/dbraw/zinc/81/20/79/1258812079.db2.gz GXQGXYLFYZVSMK-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671263 1258812085 /nfs/dbraw/zinc/81/20/85/1258812085.db2.gz GXQGXYLFYZVSMK-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671263 1258812091 /nfs/dbraw/zinc/81/20/91/1258812091.db2.gz GXQGXYLFYZVSMK-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092671263 1258812098 /nfs/dbraw/zinc/81/20/98/1258812098.db2.gz GXQGXYLFYZVSMK-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724478 1258817792 /nfs/dbraw/zinc/81/77/92/1258817792.db2.gz NRTQZLLLGWPZGS-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724478 1258817801 /nfs/dbraw/zinc/81/78/01/1258817801.db2.gz NRTQZLLLGWPZGS-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724478 1258817809 /nfs/dbraw/zinc/81/78/09/1258817809.db2.gz NRTQZLLLGWPZGS-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)cn1 ZINC001092724478 1258817814 /nfs/dbraw/zinc/81/78/14/1258817814.db2.gz NRTQZLLLGWPZGS-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427620 1266214881 /nfs/dbraw/zinc/21/48/81/1266214881.db2.gz VFRDFHOMJLUZTB-MOPGFXCFSA-N 2 1 360.502 0.642 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001100345145 1258908427 /nfs/dbraw/zinc/90/84/27/1258908427.db2.gz RLPMCYGFZXZKAP-SJJHQCBESA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)C1 ZINC001106577915 1258925034 /nfs/dbraw/zinc/92/50/34/1258925034.db2.gz VMGOUXCGJTUBMM-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cccn3)[C@H](C)C2)C1 ZINC001106577915 1258925041 /nfs/dbraw/zinc/92/50/41/1258925041.db2.gz VMGOUXCGJTUBMM-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106581471 1258926404 /nfs/dbraw/zinc/92/64/04/1258926404.db2.gz DXPZHOLUBJAHIW-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684562 1258941324 /nfs/dbraw/zinc/94/13/24/1258941324.db2.gz FCRMFGODOCBALN-OWYHZJEWSA-N 2 1 372.513 0.762 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106715985 1258945578 /nfs/dbraw/zinc/94/55/78/1258945578.db2.gz SGCOYGRHLWOWIH-HZPDHXFCSA-N 2 1 361.490 0.923 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2nncn2C)[C@H](C)C1 ZINC001106765489 1258957191 /nfs/dbraw/zinc/95/71/91/1258957191.db2.gz FIUMLJRUOHVMHB-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106804285 1258966931 /nfs/dbraw/zinc/96/69/31/1258966931.db2.gz KOTAZMNVEMEBKL-HUUCEWRRSA-N 2 1 370.457 0.653 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106840281 1258973722 /nfs/dbraw/zinc/97/37/22/1258973722.db2.gz FUIKTYVOCGTICS-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106839197 1258973781 /nfs/dbraw/zinc/97/37/81/1258973781.db2.gz AIQZKOOCSSFZPD-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001106839871 1258973841 /nfs/dbraw/zinc/97/38/41/1258973841.db2.gz QYIXKILFQCZLKU-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001106839871 1258973847 /nfs/dbraw/zinc/97/38/47/1258973847.db2.gz QYIXKILFQCZLKU-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001106910751 1258994429 /nfs/dbraw/zinc/99/44/29/1258994429.db2.gz NFFRKWNDZZHNIH-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001106910751 1258994434 /nfs/dbraw/zinc/99/44/34/1258994434.db2.gz NFFRKWNDZZHNIH-HUUCEWRRSA-N 2 1 365.526 0.954 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907420 1258994995 /nfs/dbraw/zinc/99/49/95/1258994995.db2.gz KOGNXIFKXZGTBP-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106927278 1258997748 /nfs/dbraw/zinc/99/77/48/1258997748.db2.gz HHEXLXXJQHCYQF-LMMKCTJWSA-N 2 1 353.507 0.819 20 0 FCADMP COCCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172677 1259035565 /nfs/dbraw/zinc/03/55/65/1259035565.db2.gz GOXGTFRZICIBIA-RHSMWYFYSA-N 2 1 364.494 0.518 20 0 FCADMP COCCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172677 1259035572 /nfs/dbraw/zinc/03/55/72/1259035572.db2.gz GOXGTFRZICIBIA-RHSMWYFYSA-N 2 1 364.494 0.518 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107342938 1259057774 /nfs/dbraw/zinc/05/77/74/1259057774.db2.gz BNUZBRUFOOEBJH-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107342938 1259057778 /nfs/dbraw/zinc/05/77/78/1259057778.db2.gz BNUZBRUFOOEBJH-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107342938 1259057786 /nfs/dbraw/zinc/05/77/86/1259057786.db2.gz BNUZBRUFOOEBJH-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107342938 1259057790 /nfs/dbraw/zinc/05/77/90/1259057790.db2.gz BNUZBRUFOOEBJH-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107449459 1259092565 /nfs/dbraw/zinc/09/25/65/1259092565.db2.gz JWYFQUMEHYCOKK-PMUMKWKESA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107449459 1259092571 /nfs/dbraw/zinc/09/25/71/1259092571.db2.gz JWYFQUMEHYCOKK-PMUMKWKESA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107449459 1259092580 /nfs/dbraw/zinc/09/25/80/1259092580.db2.gz JWYFQUMEHYCOKK-PMUMKWKESA-N 2 1 365.478 0.026 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)C1 ZINC001107546982 1259111848 /nfs/dbraw/zinc/11/18/48/1259111848.db2.gz WACRMKSQTFSJEV-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107546982 1259111853 /nfs/dbraw/zinc/11/18/53/1259111853.db2.gz WACRMKSQTFSJEV-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)C1 ZINC001107546982 1259111862 /nfs/dbraw/zinc/11/18/62/1259111862.db2.gz WACRMKSQTFSJEV-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609185 1259132496 /nfs/dbraw/zinc/13/24/96/1259132496.db2.gz HGCGASJPSANSKT-VQIMIIECSA-N 2 1 368.522 0.452 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609522 1259134472 /nfs/dbraw/zinc/13/44/72/1259134472.db2.gz VWXGFBRQJLKDDT-VQIMIIECSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001107617292 1259135314 /nfs/dbraw/zinc/13/53/14/1259135314.db2.gz CRJKUNYALGBUMW-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107617292 1259135315 /nfs/dbraw/zinc/13/53/15/1259135315.db2.gz CRJKUNYALGBUMW-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107617292 1259135320 /nfs/dbraw/zinc/13/53/20/1259135320.db2.gz CRJKUNYALGBUMW-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[C@@]12CC[NH+](C1)CCC2 ZINC001107618549 1259136010 /nfs/dbraw/zinc/13/60/10/1259136010.db2.gz HGEYULKSZFNUIY-RLLQIKCJSA-N 2 1 365.518 0.842 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2)[C@@]12CC[N@H+](C1)CCC2 ZINC001107618549 1259136014 /nfs/dbraw/zinc/13/60/14/1259136014.db2.gz HGEYULKSZFNUIY-RLLQIKCJSA-N 2 1 365.518 0.842 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2)[C@@]12CC[N@@H+](C1)CCC2 ZINC001107618549 1259136017 /nfs/dbraw/zinc/13/60/17/1259136017.db2.gz HGEYULKSZFNUIY-RLLQIKCJSA-N 2 1 365.518 0.842 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCn3cccn3)CCO2)CC[N@@H+]1C ZINC001107952631 1259148026 /nfs/dbraw/zinc/14/80/26/1259148026.db2.gz IWYCIEOOWQQUBY-SCTDSRPQSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCn3cccn3)CCO2)CC[N@H+]1C ZINC001107952631 1259148028 /nfs/dbraw/zinc/14/80/28/1259148028.db2.gz IWYCIEOOWQQUBY-SCTDSRPQSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCn3cccn3)CCO2)CC[NH+]1C ZINC001107952631 1259148030 /nfs/dbraw/zinc/14/80/30/1259148030.db2.gz IWYCIEOOWQQUBY-SCTDSRPQSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCn3cccn3)CCO2)CC[NH+]1C ZINC001107952631 1259148034 /nfs/dbraw/zinc/14/80/34/1259148034.db2.gz IWYCIEOOWQQUBY-SCTDSRPQSA-N 2 1 363.506 0.821 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCCCF)C3)C2)CC[N@@H+]1C ZINC001108546628 1259158106 /nfs/dbraw/zinc/15/81/06/1259158106.db2.gz ZTNDPKXANZKGOG-HLLBOEOZSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCCCF)C3)C2)CC[N@H+]1C ZINC001108546628 1259158109 /nfs/dbraw/zinc/15/81/09/1259158109.db2.gz ZTNDPKXANZKGOG-HLLBOEOZSA-N 2 1 368.497 0.868 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC001118059705 1259170493 /nfs/dbraw/zinc/17/04/93/1259170493.db2.gz SIVUACNXTGNCKJ-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP CCn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570687 1259180472 /nfs/dbraw/zinc/18/04/72/1259180472.db2.gz CBEZINZHGRRRBM-AEFFLSMTSA-N 2 1 363.506 0.856 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CC[N@H+]1C ZINC001127701466 1259184991 /nfs/dbraw/zinc/18/49/91/1259184991.db2.gz POYHBESFFISQTC-GVDBMIGSSA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071909 1259305312 /nfs/dbraw/zinc/30/53/12/1259305312.db2.gz PMPBPKYTQVPYQO-ZACQAIPSSA-N 2 1 366.510 0.775 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127447 1259323525 /nfs/dbraw/zinc/32/35/25/1259323525.db2.gz CKQAGEYBQUOVLC-XHSDSOJGSA-N 2 1 364.494 0.265 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129204484 1259344791 /nfs/dbraw/zinc/34/47/91/1259344791.db2.gz FZCIUDOKDHYVSW-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219595 1259347275 /nfs/dbraw/zinc/34/72/75/1259347275.db2.gz GWMZUCHEIPRXGJ-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129228270 1259349600 /nfs/dbraw/zinc/34/96/00/1259349600.db2.gz LFAQFAXANFDETR-BACDZXNISA-N 2 1 364.494 0.386 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538026 1259416462 /nfs/dbraw/zinc/41/64/62/1259416462.db2.gz VVAPRSMAPJOMSO-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635581 1259417444 /nfs/dbraw/zinc/41/74/44/1259417444.db2.gz ABNWWXCHRLLANQ-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200730179 1259420432 /nfs/dbraw/zinc/42/04/32/1259420432.db2.gz RITLHMKDXNPZSU-RBSFLKMASA-N 2 1 359.434 0.012 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674681 1259426009 /nfs/dbraw/zinc/42/60/09/1259426009.db2.gz GOHCAUJQNFFMPU-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408695 1259493098 /nfs/dbraw/zinc/49/30/98/1259493098.db2.gz YGIQDTITADBGBZ-RBSFLKMASA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408695 1259493103 /nfs/dbraw/zinc/49/31/03/1259493103.db2.gz YGIQDTITADBGBZ-RBSFLKMASA-N 2 1 362.478 0.065 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215544202 1259535505 /nfs/dbraw/zinc/53/55/05/1259535505.db2.gz KOHMRXKWPKSRAF-XJKCOSOUSA-N 2 1 363.462 0.455 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216226106 1259537559 /nfs/dbraw/zinc/53/75/59/1259537559.db2.gz MLZGSGXECJRDSX-NVXWUHKLSA-N 2 1 371.489 0.941 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216226106 1259537565 /nfs/dbraw/zinc/53/75/65/1259537565.db2.gz MLZGSGXECJRDSX-NVXWUHKLSA-N 2 1 371.489 0.941 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]2N1 ZINC001235283487 1259569374 /nfs/dbraw/zinc/56/93/74/1259569374.db2.gz PQHZQVVTBGZWCH-ZACQAIPSSA-N 2 1 359.474 0.217 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]2N1 ZINC001235283487 1259569379 /nfs/dbraw/zinc/56/93/79/1259569379.db2.gz PQHZQVVTBGZWCH-ZACQAIPSSA-N 2 1 359.474 0.217 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]2[NH2+]1 ZINC001235283487 1259569384 /nfs/dbraw/zinc/56/93/84/1259569384.db2.gz PQHZQVVTBGZWCH-ZACQAIPSSA-N 2 1 359.474 0.217 20 0 FCADMP Cc1ncn(C)c1C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001235540242 1259576272 /nfs/dbraw/zinc/57/62/72/1259576272.db2.gz ALHXJIFQPAJNAK-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP Cc1ncn(C)c1C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001235540242 1259576278 /nfs/dbraw/zinc/57/62/78/1259576278.db2.gz ALHXJIFQPAJNAK-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235639005 1259580367 /nfs/dbraw/zinc/58/03/67/1259580367.db2.gz QKYKBNJOGLYVKF-NCOADZHNSA-N 2 1 367.490 0.849 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235639005 1259580376 /nfs/dbraw/zinc/58/03/76/1259580376.db2.gz QKYKBNJOGLYVKF-NCOADZHNSA-N 2 1 367.490 0.849 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccc(O[C@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC001235916831 1259584962 /nfs/dbraw/zinc/58/49/62/1259584962.db2.gz TXBQDXMYQQHNRG-HNNXBMFYSA-N 2 1 355.446 0.816 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(OC)nc3OC)C[C@H]1C2 ZINC001236027320 1259586407 /nfs/dbraw/zinc/58/64/07/1259586407.db2.gz OWYBOMLLXBAGSU-GJRWTSMGSA-N 2 1 361.442 0.929 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(OCCO)cc3)C[C@H]1C2 ZINC001236026103 1259586458 /nfs/dbraw/zinc/58/64/58/1259586458.db2.gz IWZFTCOZGBWBTJ-QEEHTWDDSA-N 2 1 360.454 0.888 20 0 FCADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307572 1259589426 /nfs/dbraw/zinc/58/94/26/1259589426.db2.gz CJRZENAIZGAWNU-OAHLLOKOSA-N 3 1 364.490 0.710 20 0 FCADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307572 1259589429 /nfs/dbraw/zinc/58/94/29/1259589429.db2.gz CJRZENAIZGAWNU-OAHLLOKOSA-N 3 1 364.490 0.710 20 0 FCADMP Cn1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c(=O)n(C)c1=O ZINC001237290076 1259597423 /nfs/dbraw/zinc/59/74/23/1259597423.db2.gz XAYJXGVOJPIOJN-UHFFFAOYSA-N 2 1 354.454 0.721 20 0 FCADMP [NH3+]C1CCN(c2cncc(-c3cnn(CC[NH+]4CCOCC4)c3)n2)CC1 ZINC001240540053 1259628036 /nfs/dbraw/zinc/62/80/36/1259628036.db2.gz PMLZZJVMXXOTBI-UHFFFAOYSA-N 2 1 357.462 0.600 20 0 FCADMP [NH3+]CCC[NH2+]CCC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011254 1259643717 /nfs/dbraw/zinc/64/37/17/1259643717.db2.gz UEULPRNQBYLMEZ-IAGOWNOFSA-N 3 1 368.432 0.425 20 0 FCADMP CCS(=O)(=O)NCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335400588 1259646667 /nfs/dbraw/zinc/64/66/67/1259646667.db2.gz RBPNOYLKHSGLBJ-QGZVFWFLSA-N 2 1 355.504 0.542 20 0 FCADMP CCS(=O)(=O)NCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335400588 1259646677 /nfs/dbraw/zinc/64/66/77/1259646677.db2.gz RBPNOYLKHSGLBJ-QGZVFWFLSA-N 2 1 355.504 0.542 20 0 FCADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001246480605 1259653979 /nfs/dbraw/zinc/65/39/79/1259653979.db2.gz GMQLJJLBNQQZPH-DKIMLUQUSA-N 2 1 360.502 0.954 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CN1 ZINC001246485400 1259654499 /nfs/dbraw/zinc/65/44/99/1259654499.db2.gz KSCLCBVGPWVALJ-BRWVUGGUSA-N 2 1 363.458 0.721 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605574 1259655959 /nfs/dbraw/zinc/65/59/59/1259655959.db2.gz VGBGVZWWVKNHLU-JYJNAYRXSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@]12CN([C@@H]3C[NH2+][C@](CC)(C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246609869 1259656554 /nfs/dbraw/zinc/65/65/54/1259656554.db2.gz OZFSRJOICHYMMV-LNMJFAINSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@H]1CC2(CN1[C@@H]1C[NH2+][C@@](CC)(C(=O)OC)C1)CC[NH2+]CC2 ZINC001246610590 1259658143 /nfs/dbraw/zinc/65/81/43/1259658143.db2.gz PSNZRKINHWHHMM-YZVOILCLSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)CN1 ZINC001246677105 1259659566 /nfs/dbraw/zinc/65/95/66/1259659566.db2.gz BTHBOVAZEFPKMT-FPXQBCRKSA-N 2 1 367.490 0.535 20 0 FCADMP O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCCO1 ZINC001246691467 1259661688 /nfs/dbraw/zinc/66/16/88/1259661688.db2.gz XSFJZAFXNJGJNB-MWDXBVQZSA-N 2 1 364.490 0.114 20 0 FCADMP O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCCO1 ZINC001246693946 1259662513 /nfs/dbraw/zinc/66/25/13/1259662513.db2.gz KCRYVBLPIKYERN-HZMVEIRTSA-N 2 1 364.490 0.256 20 0 FCADMP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713373 1259665989 /nfs/dbraw/zinc/66/59/89/1259665989.db2.gz ZXFABOZYFRYBBF-DOTOQJQBSA-N 2 1 360.506 0.593 20 0 FCADMP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713373 1259665997 /nfs/dbraw/zinc/66/59/97/1259665997.db2.gz ZXFABOZYFRYBBF-DOTOQJQBSA-N 2 1 360.506 0.593 20 0 FCADMP c1cncc(NCc2nnn3c2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246721134 1259667882 /nfs/dbraw/zinc/66/78/82/1259667882.db2.gz DWSBSKYAWRRXEE-INIZCTEOSA-N 2 1 368.489 0.585 20 0 FCADMP c1cncc(NCc2nnn3c2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246721134 1259667887 /nfs/dbraw/zinc/66/78/87/1259667887.db2.gz DWSBSKYAWRRXEE-INIZCTEOSA-N 2 1 368.489 0.585 20 0 FCADMP CN(Cc1cccnc1)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@H]12 ZINC001246720803 1259668288 /nfs/dbraw/zinc/66/82/88/1259668288.db2.gz GANWJHVSRMNTFR-WTGUMLROSA-N 2 1 371.529 0.839 20 0 FCADMP O=C([C@@H]1Cn2nccc2C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724843 1259669808 /nfs/dbraw/zinc/66/98/08/1259669808.db2.gz ZHFZMKNCFLGZPC-HOTGVXAUSA-N 2 1 358.490 0.031 20 0 FCADMP O=C([C@@H]1Cn2nccc2C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCC1 ZINC001246724843 1259669817 /nfs/dbraw/zinc/66/98/17/1259669817.db2.gz ZHFZMKNCFLGZPC-HOTGVXAUSA-N 2 1 358.490 0.031 20 0 FCADMP O=C(c1ccco1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2C1 ZINC001246738509 1259673977 /nfs/dbraw/zinc/67/39/77/1259673977.db2.gz OAPXEVBROKESRV-JFIYKMOQSA-N 2 1 374.485 0.537 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738831 1259676030 /nfs/dbraw/zinc/67/60/30/1259676030.db2.gz OPJDZGKJAZAOLN-YIOZNXECSA-N 2 1 358.490 0.634 20 0 FCADMP O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753728 1259679016 /nfs/dbraw/zinc/67/90/16/1259679016.db2.gz CNRYYCJDKWCYOT-ICSRJNTNSA-N 2 1 369.513 0.990 20 0 FCADMP O=C([C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2)N1CCOCC1 ZINC001246759587 1259683293 /nfs/dbraw/zinc/68/32/93/1259683293.db2.gz RWOAVIPKXXDXKI-XNHLSEOASA-N 2 1 363.502 0.999 20 0 FCADMP O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765380 1259683935 /nfs/dbraw/zinc/68/39/35/1259683935.db2.gz JMQLBAYIUXWIOH-CRAIPNDOSA-N 2 1 356.474 0.390 20 0 FCADMP COCCO[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]1Cc1cnn(C)c1 ZINC001246764143 1259684130 /nfs/dbraw/zinc/68/41/30/1259684130.db2.gz HQBHFMMVKWSOIJ-SQNIBIBYSA-N 2 1 363.506 0.163 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762560 1259684321 /nfs/dbraw/zinc/68/43/21/1259684321.db2.gz CRKOVUBSJOZCQY-QKGUJMCYSA-N 2 1 361.490 0.627 20 0 FCADMP O=C([C@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2)N1CCOCC1 ZINC001246759586 1259684591 /nfs/dbraw/zinc/68/45/91/1259684591.db2.gz RWOAVIPKXXDXKI-HRBLRVMOSA-N 2 1 363.502 0.999 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246762503 1259684681 /nfs/dbraw/zinc/68/46/81/1259684681.db2.gz GJXSSNLENXLEET-INIZCTEOSA-N 3 1 362.522 0.261 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246762503 1259684688 /nfs/dbraw/zinc/68/46/88/1259684688.db2.gz GJXSSNLENXLEET-INIZCTEOSA-N 3 1 362.522 0.261 20 0 FCADMP COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891330 1259692335 /nfs/dbraw/zinc/69/23/35/1259692335.db2.gz ANPMWVIIRXYNFC-QZTJIDSGSA-N 2 1 358.486 0.440 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891330 1259692347 /nfs/dbraw/zinc/69/23/47/1259692347.db2.gz ANPMWVIIRXYNFC-QZTJIDSGSA-N 2 1 358.486 0.440 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCN(c2cccc(F)c2)CC1 ZINC001246925966 1259695468 /nfs/dbraw/zinc/69/54/68/1259695468.db2.gz QIKNKLVQLHFSEY-UHFFFAOYSA-N 3 1 365.497 0.910 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C1CCN(c2cccc(F)c2)CC1 ZINC001246925966 1259695478 /nfs/dbraw/zinc/69/54/78/1259695478.db2.gz QIKNKLVQLHFSEY-UHFFFAOYSA-N 3 1 365.497 0.910 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4C[NH2+]C[C@@H](O)C4)n3)c2)CC1 ZINC001247746262 1259705079 /nfs/dbraw/zinc/70/50/79/1259705079.db2.gz ALKQRLNCPKHDKI-IRXDYDNUSA-N 2 1 357.458 0.922 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(CN4CC[NH2+]CC4)n3)c2)CC1 ZINC001248215855 1259710230 /nfs/dbraw/zinc/71/02/30/1259710230.db2.gz BXOOYEFKACBQBZ-UHFFFAOYSA-N 2 1 356.474 0.889 20 0 FCADMP C[NH2+]C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001335570218 1259721667 /nfs/dbraw/zinc/72/16/67/1259721667.db2.gz OCFQKAOMTQQOPT-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP COCC1(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC[NH2+]CC1 ZINC001335594956 1259732606 /nfs/dbraw/zinc/73/26/06/1259732606.db2.gz DCZKALBGESXEGH-HUUCEWRRSA-N 2 1 356.536 0.882 20 0 FCADMP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252416562 1259786286 /nfs/dbraw/zinc/78/62/86/1259786286.db2.gz ZPXOLJCHVCTJJA-BJLQDIEVSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252416562 1259786288 /nfs/dbraw/zinc/78/62/88/1259786288.db2.gz ZPXOLJCHVCTJJA-BJLQDIEVSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252416562 1259786293 /nfs/dbraw/zinc/78/62/93/1259786293.db2.gz ZPXOLJCHVCTJJA-BJLQDIEVSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252416562 1259786295 /nfs/dbraw/zinc/78/62/95/1259786295.db2.gz ZPXOLJCHVCTJJA-BJLQDIEVSA-N 2 1 366.502 0.981 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@H](O)COCc3ccco3)CC2)CC1 ZINC001252641724 1259801228 /nfs/dbraw/zinc/80/12/28/1259801228.db2.gz WOTMGYMGNFNBJO-KRWDZBQOSA-N 2 1 365.474 0.643 20 0 FCADMP CC(C)OC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252676610 1259802887 /nfs/dbraw/zinc/80/28/87/1259802887.db2.gz GNVDRFOPZOBFEO-QGZVFWFLSA-N 2 1 371.522 0.275 20 0 FCADMP CC(C)OC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252676610 1259802895 /nfs/dbraw/zinc/80/28/95/1259802895.db2.gz GNVDRFOPZOBFEO-QGZVFWFLSA-N 2 1 371.522 0.275 20 0 FCADMP O=C(NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC001252943631 1259812123 /nfs/dbraw/zinc/81/21/23/1259812123.db2.gz JEQUDPYMRJPSBE-LJQANCHMSA-N 2 1 362.474 0.255 20 0 FCADMP O=C(NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC001252943631 1259812131 /nfs/dbraw/zinc/81/21/31/1259812131.db2.gz JEQUDPYMRJPSBE-LJQANCHMSA-N 2 1 362.474 0.255 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001253184610 1259826887 /nfs/dbraw/zinc/82/68/87/1259826887.db2.gz HEQYGRDXUPKTKT-VQIMIIECSA-N 2 1 368.522 0.092 20 0 FCADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520025 1259890516 /nfs/dbraw/zinc/89/05/16/1259890516.db2.gz BOUIJOHHCUCMGD-YRXWBPOGSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520025 1259890525 /nfs/dbraw/zinc/89/05/25/1259890525.db2.gz BOUIJOHHCUCMGD-YRXWBPOGSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001254520025 1259890529 /nfs/dbraw/zinc/89/05/29/1259890529.db2.gz BOUIJOHHCUCMGD-YRXWBPOGSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CC[C@H](N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426357 1259911746 /nfs/dbraw/zinc/91/17/46/1259911746.db2.gz COMBLCDGRLAJNL-ZVZYQTTQSA-N 2 1 365.453 0.521 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076010 1259933605 /nfs/dbraw/zinc/93/36/05/1259933605.db2.gz FWIZYGHQNDTZIE-HXUWFJFHSA-N 2 1 364.534 0.774 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076010 1259933618 /nfs/dbraw/zinc/93/36/18/1259933618.db2.gz FWIZYGHQNDTZIE-HXUWFJFHSA-N 2 1 364.534 0.774 20 0 FCADMP C[C@H](CC(=O)N1CCOCC1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001256343812 1259948457 /nfs/dbraw/zinc/94/84/57/1259948457.db2.gz CTFCEHVUZOZHIT-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(-n4ccnc4)nc3)nn2)CC1 ZINC001331886097 1266300372 /nfs/dbraw/zinc/30/03/72/1266300372.db2.gz YOGGROVINIFPJN-UHFFFAOYSA-N 2 1 352.446 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192812 1260034697 /nfs/dbraw/zinc/03/46/97/1260034697.db2.gz IVZQCYVPEPFXSM-QLFBSQMISA-N 2 1 352.479 0.653 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC001261382869 1260130445 /nfs/dbraw/zinc/13/04/45/1260130445.db2.gz YGCUWABYXCTBIL-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC001261382870 1260130591 /nfs/dbraw/zinc/13/05/91/1260130591.db2.gz YGCUWABYXCTBIL-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001336640832 1260190067 /nfs/dbraw/zinc/19/00/67/1260190067.db2.gz OGSOZYNICRQWHK-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001336640832 1260190070 /nfs/dbraw/zinc/19/00/70/1260190070.db2.gz OGSOZYNICRQWHK-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001336640832 1260190074 /nfs/dbraw/zinc/19/00/74/1260190074.db2.gz OGSOZYNICRQWHK-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)no1 ZINC001262029593 1260247332 /nfs/dbraw/zinc/24/73/32/1260247332.db2.gz DRCNGBJPFFXVCU-HNNXBMFYSA-N 2 1 365.478 0.263 20 0 FCADMP Cc1nccnc1CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336893434 1260247403 /nfs/dbraw/zinc/24/74/03/1260247403.db2.gz HCIDOVVXCGBHFT-CALCHBBNSA-N 2 1 358.490 0.938 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)no1 ZINC001262029593 1260247339 /nfs/dbraw/zinc/24/73/39/1260247339.db2.gz DRCNGBJPFFXVCU-HNNXBMFYSA-N 2 1 365.478 0.263 20 0 FCADMP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001336908018 1260251401 /nfs/dbraw/zinc/25/14/01/1260251401.db2.gz MXIJPTQYVAOZSO-VQIMIIECSA-N 2 1 366.506 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001336914039 1260252086 /nfs/dbraw/zinc/25/20/86/1260252086.db2.gz XEDWVINAGVWATH-XYPHTWIQSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001336914039 1260252094 /nfs/dbraw/zinc/25/20/94/1260252094.db2.gz XEDWVINAGVWATH-XYPHTWIQSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001336914038 1260252171 /nfs/dbraw/zinc/25/21/71/1260252171.db2.gz XEDWVINAGVWATH-KBRIMQKVSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001336914038 1260252177 /nfs/dbraw/zinc/25/21/77/1260252177.db2.gz XEDWVINAGVWATH-KBRIMQKVSA-N 2 1 361.490 0.885 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CC[NH2+]C1 ZINC001262060528 1260253265 /nfs/dbraw/zinc/25/32/65/1260253265.db2.gz CKUYAMSDKALJEF-ZWKOTPCHSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC001336943575 1260262363 /nfs/dbraw/zinc/26/23/63/1260262363.db2.gz YCYKIWVTFXPBML-SJORKVTESA-N 2 1 355.527 0.158 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024552 1260288088 /nfs/dbraw/zinc/28/80/88/1260288088.db2.gz UFRLTRMTSLRWTC-OLZOCXBDSA-N 2 1 351.417 0.606 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001337052298 1260295731 /nfs/dbraw/zinc/29/57/31/1260295731.db2.gz IXANJOTZAOOTBW-CABCVRRESA-N 2 1 364.494 0.421 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653306 1260395563 /nfs/dbraw/zinc/39/55/63/1260395563.db2.gz RRBHOPUZTKNMBR-SQNIBIBYSA-N 2 1 364.490 0.759 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653306 1260395570 /nfs/dbraw/zinc/39/55/70/1260395570.db2.gz RRBHOPUZTKNMBR-SQNIBIBYSA-N 2 1 364.490 0.759 20 0 FCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)c2)CC1 ZINC001337598564 1260437045 /nfs/dbraw/zinc/43/70/45/1260437045.db2.gz YSSGIJABEMINAE-SFHVURJKSA-N 2 1 373.501 0.976 20 0 FCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)c2)CC1 ZINC001337598564 1260437049 /nfs/dbraw/zinc/43/70/49/1260437049.db2.gz YSSGIJABEMINAE-SFHVURJKSA-N 2 1 373.501 0.976 20 0 FCADMP CCc1[nH+]ccn1CC(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001272622780 1260464793 /nfs/dbraw/zinc/46/47/93/1260464793.db2.gz AFYMEWGOVHSLBR-UHFFFAOYSA-N 2 1 359.474 0.695 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C2)C1=O ZINC001273055733 1260582495 /nfs/dbraw/zinc/58/24/95/1260582495.db2.gz LETDZQSWPLLALE-FXAWDEMLSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2ccnc2)C1 ZINC001273254813 1260638331 /nfs/dbraw/zinc/63/83/31/1260638331.db2.gz MEQILOLHAAQCPB-KSZLIROESA-N 2 1 361.490 0.527 20 0 FCADMP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 ZINC001278184103 1260686641 /nfs/dbraw/zinc/68/66/41/1260686641.db2.gz VRPMIUQERNYKHZ-MRXNPFEDSA-N 2 1 368.522 0.802 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccncc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001278463707 1260694898 /nfs/dbraw/zinc/69/48/98/1260694898.db2.gz LTGKJRQPHWZVDU-IBGZPJMESA-N 2 1 361.490 0.505 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001278472013 1260696453 /nfs/dbraw/zinc/69/64/53/1260696453.db2.gz ZGEKWHWBOOZBMR-IRXDYDNUSA-N 2 1 360.502 0.674 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478885 1260697605 /nfs/dbraw/zinc/69/76/05/1260697605.db2.gz DEISBZJZRYHIDL-FXAWDEMLSA-N 2 1 362.518 0.873 20 0 FCADMP CC(=O)OCc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)o1 ZINC001278824694 1260738954 /nfs/dbraw/zinc/73/89/54/1260738954.db2.gz LMLBYNPSNNCLIW-IAGOWNOFSA-N 2 1 361.442 0.985 20 0 FCADMP O=C1NC2(CC[NH+](C[C@H]3CCCO3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279468603 1260874575 /nfs/dbraw/zinc/87/45/75/1260874575.db2.gz WTTCYPNBUKWHAC-IKGGRYGDSA-N 2 1 359.474 0.601 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CN(CC(=O)N(C)C)CCO3)C2)CC1 ZINC001279498824 1260880431 /nfs/dbraw/zinc/88/04/31/1260880431.db2.gz PXUYMMIAWVNVJV-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618198 1260900729 /nfs/dbraw/zinc/90/07/29/1260900729.db2.gz UIHFRJJQXYMIEE-AKHDSKFASA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H](C1)O2 ZINC001279618200 1260901319 /nfs/dbraw/zinc/90/13/19/1260901319.db2.gz UIHFRJJQXYMIEE-OKYOBFRVSA-N 2 1 363.502 0.809 20 0 FCADMP COCC[N@H+]1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H](c2cn(C)cn2)C1 ZINC001279722182 1260922274 /nfs/dbraw/zinc/92/22/74/1260922274.db2.gz LBMHAOUDTUCXOY-IAGOWNOFSA-N 2 1 363.506 0.635 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H]3C[N@@H+](CC4CCC4)C[C@H]23)cn1 ZINC001279897174 1260955304 /nfs/dbraw/zinc/95/53/04/1260955304.db2.gz ADYOZWOJMREEFP-JKSUJKDBSA-N 2 1 360.462 0.870 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@H+](Cc4cncnc4)C[C@@H]3O2)CC1 ZINC001279971400 1260975398 /nfs/dbraw/zinc/97/53/98/1260975398.db2.gz BQRJEDJWCJKYMS-NXHRZFHOSA-N 2 1 359.474 0.666 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4cncnc4)C[C@@H]3O2)CC1 ZINC001279971400 1260975402 /nfs/dbraw/zinc/97/54/02/1260975402.db2.gz BQRJEDJWCJKYMS-NXHRZFHOSA-N 2 1 359.474 0.666 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](Cc2cncnc2)C3)CC1 ZINC001279972646 1260977732 /nfs/dbraw/zinc/97/77/32/1260977732.db2.gz SEMGFBAUHDTHEH-QGZVFWFLSA-N 2 1 359.474 0.526 20 0 FCADMP COCOCCC[N@@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280089872 1260995955 /nfs/dbraw/zinc/99/59/55/1260995955.db2.gz JGNOFCJYRUWZBL-UHFFFAOYSA-N 2 1 366.462 0.867 20 0 FCADMP COCOCCC[N@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280089872 1260995959 /nfs/dbraw/zinc/99/59/59/1260995959.db2.gz JGNOFCJYRUWZBL-UHFFFAOYSA-N 2 1 366.462 0.867 20 0 FCADMP COCOCCC[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001280089588 1260996352 /nfs/dbraw/zinc/99/63/52/1260996352.db2.gz DIFICQDDEBYZDN-MLHJIOFPSA-N 2 1 369.506 0.421 20 0 FCADMP CC(=O)NCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169967 1261020170 /nfs/dbraw/zinc/02/01/70/1261020170.db2.gz OALUYELIYHMUBI-ICSRJNTNSA-N 2 1 362.518 0.921 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@@H]2C1 ZINC001280188435 1261024864 /nfs/dbraw/zinc/02/48/64/1261024864.db2.gz GNSWSACRILRSCK-BZUAXINKSA-N 2 1 361.490 0.296 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280212358 1261034143 /nfs/dbraw/zinc/03/41/43/1261034143.db2.gz AXOBVXINQQUEKT-BZUAXINKSA-N 2 1 359.474 0.291 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280212358 1261034149 /nfs/dbraw/zinc/03/41/49/1261034149.db2.gz AXOBVXINQQUEKT-BZUAXINKSA-N 2 1 359.474 0.291 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218405 1261037933 /nfs/dbraw/zinc/03/79/33/1261037933.db2.gz IALQQHYLZIIWLJ-IBGZPJMESA-N 2 1 361.490 0.510 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218405 1261037937 /nfs/dbraw/zinc/03/79/37/1261037937.db2.gz IALQQHYLZIIWLJ-IBGZPJMESA-N 2 1 361.490 0.510 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@]23c2ccccc2NC3=O)CC1 ZINC001280241481 1261041061 /nfs/dbraw/zinc/04/10/61/1261041061.db2.gz HZRDACOFBFLTDN-UZLBHIALSA-N 2 1 356.470 0.991 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCc3n[nH]c(C(=O)NCC4COC4)c3C2)CC1 ZINC001280249884 1261041878 /nfs/dbraw/zinc/04/18/78/1261041878.db2.gz IBXDZKIINJKCFW-UHFFFAOYSA-N 2 1 361.490 0.876 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)CC1 ZINC001282291262 1261404617 /nfs/dbraw/zinc/40/46/17/1261404617.db2.gz OFSFUQJGRYESTR-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC001345100946 1261634796 /nfs/dbraw/zinc/63/47/96/1261634796.db2.gz WQNXNDZGEDMYEV-CQSZACIVSA-N 2 1 359.474 0.779 20 0 FCADMP [NH3+]CCCn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001580302667 1278110361 /nfs/dbraw/zinc/11/03/61/1278110361.db2.gz MNBOOHLRWXSNAY-HNNXBMFYSA-N 2 1 362.503 0.800 20 0 FCADMP [NH3+]CCCn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001580302667 1278110366 /nfs/dbraw/zinc/11/03/66/1278110366.db2.gz MNBOOHLRWXSNAY-HNNXBMFYSA-N 2 1 362.503 0.800 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)[NH+](C)C ZINC001289192268 1262146810 /nfs/dbraw/zinc/14/68/10/1262146810.db2.gz QPAYZBQXPKIJCO-INMHGKMJSA-N 2 1 370.538 0.238 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001580343325 1278140295 /nfs/dbraw/zinc/14/02/95/1278140295.db2.gz JUEZPQIZOFUSCF-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580343325 1278140299 /nfs/dbraw/zinc/14/02/99/1278140299.db2.gz JUEZPQIZOFUSCF-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580343325 1278140304 /nfs/dbraw/zinc/14/03/04/1278140304.db2.gz JUEZPQIZOFUSCF-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001316755429 1263459685 /nfs/dbraw/zinc/45/96/85/1263459685.db2.gz KBQOEBNLYWWGKR-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001316755429 1263459691 /nfs/dbraw/zinc/45/96/91/1263459691.db2.gz KBQOEBNLYWWGKR-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001316755429 1263459694 /nfs/dbraw/zinc/45/96/94/1263459694.db2.gz KBQOEBNLYWWGKR-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC[N@@H+](C[C@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001485032040 1263498130 /nfs/dbraw/zinc/49/81/30/1263498130.db2.gz XPBOCASEQSQOAS-BPQIPLTHSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C[C@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485032040 1263498136 /nfs/dbraw/zinc/49/81/36/1263498136.db2.gz XPBOCASEQSQOAS-BPQIPLTHSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C[C@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485032040 1263498139 /nfs/dbraw/zinc/49/81/39/1263498139.db2.gz XPBOCASEQSQOAS-BPQIPLTHSA-N 2 1 355.523 0.894 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318662297 1263597292 /nfs/dbraw/zinc/59/72/92/1263597292.db2.gz RYAHRUNMUISPBR-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318662297 1263597300 /nfs/dbraw/zinc/59/73/00/1263597300.db2.gz RYAHRUNMUISPBR-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318662297 1263597306 /nfs/dbraw/zinc/59/73/06/1263597306.db2.gz RYAHRUNMUISPBR-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001319304484 1263675730 /nfs/dbraw/zinc/67/57/30/1263675730.db2.gz ZHBZBCPKTQODPZ-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3CCNC3=O)CCCC2)CC[N@H+]1C ZINC001495914683 1263843481 /nfs/dbraw/zinc/84/34/81/1263843481.db2.gz JGXHSPSEWJPOJU-HUUCEWRRSA-N 2 1 351.495 0.370 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001497453987 1263931802 /nfs/dbraw/zinc/93/18/02/1263931802.db2.gz FNQORCUIAHWROV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001497453987 1263931807 /nfs/dbraw/zinc/93/18/07/1263931807.db2.gz FNQORCUIAHWROV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001497453987 1263931812 /nfs/dbraw/zinc/93/18/12/1263931812.db2.gz FNQORCUIAHWROV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001497453987 1263931816 /nfs/dbraw/zinc/93/18/16/1263931816.db2.gz FNQORCUIAHWROV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001321921920 1264101257 /nfs/dbraw/zinc/10/12/57/1264101257.db2.gz RBSWMUYRFMLKMJ-MRXNPFEDSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001321921920 1264101262 /nfs/dbraw/zinc/10/12/62/1264101262.db2.gz RBSWMUYRFMLKMJ-MRXNPFEDSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001321960557 1264111366 /nfs/dbraw/zinc/11/13/66/1264111366.db2.gz XSLGKQHUIWUYGC-ZIAGYGMSSA-N 2 1 360.462 0.901 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(C)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001504909234 1264253691 /nfs/dbraw/zinc/25/36/91/1264253691.db2.gz BNXDSJCLODJWEN-HNNXBMFYSA-N 2 1 368.551 0.792 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777752 1264262284 /nfs/dbraw/zinc/26/22/84/1264262284.db2.gz BACQFRMVQFGVQF-CQSZACIVSA-N 2 1 372.460 0.775 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777752 1264262297 /nfs/dbraw/zinc/26/22/97/1264262297.db2.gz BACQFRMVQFGVQF-CQSZACIVSA-N 2 1 372.460 0.775 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506084439 1264289742 /nfs/dbraw/zinc/28/97/42/1264289742.db2.gz QWGCRWMSKBNROR-KFWWJZLASA-N 2 1 356.486 0.772 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506099985 1264292730 /nfs/dbraw/zinc/29/27/30/1264292730.db2.gz BJIBFGNRJNZZHS-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506099985 1264292737 /nfs/dbraw/zinc/29/27/37/1264292737.db2.gz BJIBFGNRJNZZHS-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506099985 1264292744 /nfs/dbraw/zinc/29/27/44/1264292744.db2.gz BJIBFGNRJNZZHS-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001322959946 1264302326 /nfs/dbraw/zinc/30/23/26/1264302326.db2.gz XOSVANBMYBJHSX-CVEARBPZSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH3+])CC[N@@H+]1CC(C)(C)O ZINC001325381385 1264869209 /nfs/dbraw/zinc/86/92/09/1264869209.db2.gz VBBONWWOOAAFDK-AWEZNQCLSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH3+])CC[N@H+]1CC(C)(C)O ZINC001325381385 1264869219 /nfs/dbraw/zinc/86/92/19/1264869219.db2.gz VBBONWWOOAAFDK-AWEZNQCLSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580406311 1278240617 /nfs/dbraw/zinc/24/06/17/1278240617.db2.gz FVPFFXGSYPGAAM-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580406510 1278241340 /nfs/dbraw/zinc/24/13/40/1278241340.db2.gz MWXVFPJEZUGHKK-UKRRQHHQSA-N 2 1 357.462 0.803 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014702 1265043563 /nfs/dbraw/zinc/04/35/63/1265043563.db2.gz ZZOPBQAEVYRRDW-AWEZNQCLSA-N 2 1 361.494 0.101 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014702 1265043566 /nfs/dbraw/zinc/04/35/66/1265043566.db2.gz ZZOPBQAEVYRRDW-AWEZNQCLSA-N 3 1 361.494 0.101 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001514130245 1265325923 /nfs/dbraw/zinc/32/59/23/1265325923.db2.gz GTXADERYORSTDA-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H]1Cn2nc(C(=O)N3CCc4[nH]cnc4C34CC[NH2+]CC4)cc2C[NH2+]1 ZINC001522460055 1266559816 /nfs/dbraw/zinc/55/98/16/1266559816.db2.gz MVZZKLXDYRVSMZ-LBPRGKRZSA-N 2 1 355.446 0.375 20 0 FCADMP C[C@H]1Cn2nc(C(=O)N3CCc4nc[nH]c4C34CC[NH2+]CC4)cc2C[NH2+]1 ZINC001522460055 1266559826 /nfs/dbraw/zinc/55/98/26/1266559826.db2.gz MVZZKLXDYRVSMZ-LBPRGKRZSA-N 2 1 355.446 0.375 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001333404742 1266593854 /nfs/dbraw/zinc/59/38/54/1266593854.db2.gz IBMSKOUUBZWAPB-DZJNRPSUSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001333404742 1266593858 /nfs/dbraw/zinc/59/38/58/1266593858.db2.gz IBMSKOUUBZWAPB-DZJNRPSUSA-N 2 1 374.485 0.246 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333618737 1266652720 /nfs/dbraw/zinc/65/27/20/1266652720.db2.gz NBOOMKVPUDYRRP-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CC)CC1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001333689964 1266679008 /nfs/dbraw/zinc/67/90/08/1266679008.db2.gz VJHWTEYWKIUAJY-UHFFFAOYSA-N 2 1 365.526 0.954 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001334313101 1266942178 /nfs/dbraw/zinc/94/21/78/1266942178.db2.gz FLXLWQUOLLQLSL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001532989927 1267192675 /nfs/dbraw/zinc/19/26/75/1267192675.db2.gz DJSNBJPGWXVUME-BZUAXINKSA-N 2 1 358.502 0.923 20 0 FCADMP [NH3+]C[C@@]12CCC[C@@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001549109673 1267810249 /nfs/dbraw/zinc/81/02/49/1267810249.db2.gz CHLQCYKSIJBTJL-SJLPKXTDSA-N 2 1 366.506 0.638 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549210625 1267857181 /nfs/dbraw/zinc/85/71/81/1267857181.db2.gz FSPZUTSAJLFMJQ-XHSDSOJGSA-N 2 1 352.479 0.308 20 0 FCADMP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CC[NH+](CCc2ccncc2)CC1 ZINC001580477426 1278368882 /nfs/dbraw/zinc/36/88/82/1278368882.db2.gz AZZXSRYAZRSCJN-UHFFFAOYSA-N 2 1 357.458 0.667 20 0 FCADMP C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001549611195 1267972162 /nfs/dbraw/zinc/97/21/62/1267972162.db2.gz DINQEBJYRVFTMZ-QZTJIDSGSA-N 2 1 366.506 0.509 20 0 FCADMP C[C@H](NC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC001549744778 1267986565 /nfs/dbraw/zinc/98/65/65/1267986565.db2.gz JJDZXECITBRFEI-YSVLISHTSA-N 2 1 363.462 0.341 20 0 FCADMP C[C@H](NC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC001549744778 1267986573 /nfs/dbraw/zinc/98/65/73/1267986573.db2.gz JJDZXECITBRFEI-YSVLISHTSA-N 2 1 363.462 0.341 20 0 FCADMP CN(Cc1cnn2c1C[NH2+]CC2)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001549750924 1267987616 /nfs/dbraw/zinc/98/76/16/1267987616.db2.gz IEWSJJKCXVLGGW-UHFFFAOYSA-N 2 1 354.458 0.974 20 0 FCADMP CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@H+]1C ZINC001550064372 1268068469 /nfs/dbraw/zinc/06/84/69/1268068469.db2.gz FGFNUDDPOAPOSR-QBPKDAKJSA-N 2 1 363.506 0.463 20 0 FCADMP CC(C)n1cc([C@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001550133183 1268080426 /nfs/dbraw/zinc/08/04/26/1268080426.db2.gz NWODSOIFAYIEGN-SJLPKXTDSA-N 2 1 363.506 0.682 20 0 FCADMP CC(C)n1cc([C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001550133183 1268080436 /nfs/dbraw/zinc/08/04/36/1268080436.db2.gz NWODSOIFAYIEGN-SJLPKXTDSA-N 2 1 363.506 0.682 20 0 FCADMP O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC001550387231 1268109092 /nfs/dbraw/zinc/10/90/92/1268109092.db2.gz AHTMCHKGUJGPLR-ADXGEFSYSA-N 2 1 365.518 0.981 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487323 1268127426 /nfs/dbraw/zinc/12/74/26/1268127426.db2.gz BJZILUITPGRVIK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[NH+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487323 1268127429 /nfs/dbraw/zinc/12/74/29/1268127429.db2.gz BJZILUITPGRVIK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[N@@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487323 1268127435 /nfs/dbraw/zinc/12/74/35/1268127435.db2.gz BJZILUITPGRVIK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[C@@H](OC)C[N@H+]3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550487323 1268127438 /nfs/dbraw/zinc/12/74/38/1268127438.db2.gz BJZILUITPGRVIK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486175 1268127666 /nfs/dbraw/zinc/12/76/66/1268127666.db2.gz KENYMCKZBHEERW-PRNMCOSDSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486175 1268127670 /nfs/dbraw/zinc/12/76/70/1268127670.db2.gz KENYMCKZBHEERW-PRNMCOSDSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486175 1268127674 /nfs/dbraw/zinc/12/76/74/1268127674.db2.gz KENYMCKZBHEERW-PRNMCOSDSA-N 2 1 365.518 0.836 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](O)C2 ZINC001550623193 1268141731 /nfs/dbraw/zinc/14/17/31/1268141731.db2.gz VHUGSNIEUIPRET-NEPXVJNWSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001550623189 1268142112 /nfs/dbraw/zinc/14/21/12/1268142112.db2.gz VHUGSNIEUIPRET-CAMMJAKZSA-N 2 1 353.507 0.693 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001550731049 1268157374 /nfs/dbraw/zinc/15/73/74/1268157374.db2.gz JTLALUBEHAHLHC-LSDHHAIUSA-N 2 1 358.458 0.257 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001550727999 1268157439 /nfs/dbraw/zinc/15/74/39/1268157439.db2.gz XEUUGDWGAABRPH-YRXWBPOGSA-N 2 1 359.470 0.831 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001550727999 1268157443 /nfs/dbraw/zinc/15/74/43/1268157443.db2.gz XEUUGDWGAABRPH-YRXWBPOGSA-N 2 1 359.470 0.831 20 0 FCADMP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001550732263 1268157718 /nfs/dbraw/zinc/15/77/18/1268157718.db2.gz RGXGXCYLVVDTQR-HOTGVXAUSA-N 2 1 354.495 0.685 20 0 FCADMP [NH3+][C@H]1CC12CCC(NC(=O)NCC1([NH+]3CCOCC3)CCOCC1)CC2 ZINC001550730844 1268158029 /nfs/dbraw/zinc/15/80/29/1268158029.db2.gz JSSXROVMFUWWQI-PQUAAJSLSA-N 2 1 366.506 0.827 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001550980905 1268189431 /nfs/dbraw/zinc/18/94/31/1268189431.db2.gz SDHQEFZAPHMYSC-IXDOHACOSA-N 2 1 354.495 0.600 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551284894 1268223101 /nfs/dbraw/zinc/22/31/01/1268223101.db2.gz PQCGBGHAXVWUHL-HFCFLWKCSA-N 2 1 367.538 0.565 20 0 FCADMP C[N@@H+]1[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@@H]2C[C@H]1CO ZINC001551477853 1268258824 /nfs/dbraw/zinc/25/88/24/1268258824.db2.gz HZVCDPGCXJXPPA-XOABRYBJSA-N 2 1 358.486 0.752 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560566 1268270808 /nfs/dbraw/zinc/27/08/08/1268270808.db2.gz NZXHHOYXZRCKFB-XBFCOCLRSA-N 2 1 350.385 0.236 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560566 1268270813 /nfs/dbraw/zinc/27/08/13/1268270813.db2.gz NZXHHOYXZRCKFB-XBFCOCLRSA-N 2 1 350.385 0.236 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551578075 1268276798 /nfs/dbraw/zinc/27/67/98/1268276798.db2.gz LZOGMFJJQRULJH-BFYDXBDKSA-N 2 1 351.495 0.417 20 0 FCADMP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001551593000 1268281087 /nfs/dbraw/zinc/28/10/87/1268281087.db2.gz NUFCXDDIXDMMBH-RYRKJORJSA-N 2 1 363.506 0.513 20 0 FCADMP CO[C@@H]1C[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551940351 1268320943 /nfs/dbraw/zinc/32/09/43/1268320943.db2.gz QEDHXAIRELONGB-JKSUJKDBSA-N 2 1 374.489 0.643 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC001552008580 1268350225 /nfs/dbraw/zinc/35/02/25/1268350225.db2.gz BIAQKPHZYZCUNY-GVDBMIGSSA-N 2 1 354.495 0.602 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC001552008580 1268350237 /nfs/dbraw/zinc/35/02/37/1268350237.db2.gz BIAQKPHZYZCUNY-GVDBMIGSSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)n1 ZINC001552111538 1268379089 /nfs/dbraw/zinc/37/90/89/1268379089.db2.gz RJWWNCVWAAGOCU-RBSFLKMASA-N 2 1 350.467 0.554 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)nn1 ZINC001552167974 1268399875 /nfs/dbraw/zinc/39/98/75/1268399875.db2.gz UYLCQFYUBGCMQL-BFYDXBDKSA-N 2 1 373.461 0.349 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[N@H+](C)Cc3ccccc32)nn1 ZINC001552177820 1268402856 /nfs/dbraw/zinc/40/28/56/1268402856.db2.gz HVZUARBUFFOODP-CRAIPNDOSA-N 2 1 370.457 0.459 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[N@@H+](C)Cc3ccccc32)nn1 ZINC001552177820 1268402860 /nfs/dbraw/zinc/40/28/60/1268402860.db2.gz HVZUARBUFFOODP-CRAIPNDOSA-N 2 1 370.457 0.459 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)c2cccs2)CC1 ZINC001552200322 1268407212 /nfs/dbraw/zinc/40/72/12/1268407212.db2.gz KSYWFIOHMGZJQW-RKVPGOIHSA-N 2 1 364.515 0.389 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC001552210547 1268411070 /nfs/dbraw/zinc/41/10/70/1268411070.db2.gz DZOARXXRRVZOQR-AJRPESIASA-N 2 1 363.506 0.645 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001552225481 1268416926 /nfs/dbraw/zinc/41/69/26/1268416926.db2.gz UPHLWCJUAIABCL-FPCVCCKLSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@H](O)C[C@@H]2C1 ZINC001552225481 1268416928 /nfs/dbraw/zinc/41/69/28/1268416928.db2.gz UPHLWCJUAIABCL-FPCVCCKLSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@H](O)C[C@@H]2C1 ZINC001552225481 1268416931 /nfs/dbraw/zinc/41/69/31/1268416931.db2.gz UPHLWCJUAIABCL-FPCVCCKLSA-N 2 1 362.478 0.089 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552250984 1268421338 /nfs/dbraw/zinc/42/13/38/1268421338.db2.gz FCXMHSYSEOOICO-KBAYOESNSA-N 2 1 358.486 0.910 20 0 FCADMP CN1CCC[C@H]1c1cc(C(=O)N2C[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC001552307427 1268436717 /nfs/dbraw/zinc/43/67/17/1268436717.db2.gz UMZYRAZBFPLIQP-DAYGRLMNSA-N 2 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC001552307427 1268436721 /nfs/dbraw/zinc/43/67/21/1268436721.db2.gz UMZYRAZBFPLIQP-DAYGRLMNSA-N 3 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC001552307427 1268436724 /nfs/dbraw/zinc/43/67/24/1268436724.db2.gz UMZYRAZBFPLIQP-DAYGRLMNSA-N 3 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001340121169 1268442068 /nfs/dbraw/zinc/44/20/68/1268442068.db2.gz MRFITICXNSCSPY-HIFRSBDPSA-N 2 1 352.504 0.877 20 0 FCADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C[C@@H]2C1 ZINC001552337669 1268444893 /nfs/dbraw/zinc/44/48/93/1268444893.db2.gz GEJPVIJHAXPXTB-IVSAIRAKSA-N 2 1 361.494 0.814 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001340191803 1268466128 /nfs/dbraw/zinc/46/61/28/1268466128.db2.gz VEPWMYPNMYVSBY-QGZVFWFLSA-N 2 1 359.474 0.306 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552699381 1268524395 /nfs/dbraw/zinc/52/43/95/1268524395.db2.gz VIQNZJVJOWPHTF-ZBFHGGJFSA-N 2 1 364.494 0.903 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707912 1268527887 /nfs/dbraw/zinc/52/78/87/1268527887.db2.gz ICFZNWCOLJWRMB-BBWFWOEESA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707912 1268527891 /nfs/dbraw/zinc/52/78/91/1268527891.db2.gz ICFZNWCOLJWRMB-BBWFWOEESA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC001552707912 1268527894 /nfs/dbraw/zinc/52/78/94/1268527894.db2.gz ICFZNWCOLJWRMB-BBWFWOEESA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)n1 ZINC001552707912 1268527897 /nfs/dbraw/zinc/52/78/97/1268527897.db2.gz ICFZNWCOLJWRMB-BBWFWOEESA-N 2 1 361.490 0.686 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC001552711482 1268530032 /nfs/dbraw/zinc/53/00/32/1268530032.db2.gz UWQLEEYITYXGQP-XIRDDKMYSA-N 2 1 363.506 0.789 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC001552711482 1268530037 /nfs/dbraw/zinc/53/00/37/1268530037.db2.gz UWQLEEYITYXGQP-XIRDDKMYSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC001552711482 1268530042 /nfs/dbraw/zinc/53/00/42/1268530042.db2.gz UWQLEEYITYXGQP-XIRDDKMYSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC001552711482 1268530048 /nfs/dbraw/zinc/53/00/48/1268530048.db2.gz UWQLEEYITYXGQP-XIRDDKMYSA-N 2 1 363.506 0.789 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)C2)CC1 ZINC001552803560 1268551033 /nfs/dbraw/zinc/55/10/33/1268551033.db2.gz COHJUANMZFZBHP-SFHVURJKSA-N 2 1 366.554 0.044 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CC2)CC1 ZINC001552899847 1268563870 /nfs/dbraw/zinc/56/38/70/1268563870.db2.gz DXZWPSBGBCEXIQ-INIZCTEOSA-N 2 1 363.506 0.739 20 0 FCADMP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552912473 1268565331 /nfs/dbraw/zinc/56/53/31/1268565331.db2.gz AFQJIBBNAPDIAA-ARFHVFGLSA-N 2 1 361.490 0.719 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957495 1268569106 /nfs/dbraw/zinc/56/91/06/1268569106.db2.gz JHNNDZSIESHBLP-ROUUACIJSA-N 2 1 357.502 0.905 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@@H]4CCOC5)n3)cn2)CC1 ZINC001553321303 1268623700 /nfs/dbraw/zinc/62/37/00/1268623700.db2.gz VEVCORNKHLOMBQ-KXBFYZLASA-N 2 1 370.457 0.761 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553370156 1268639362 /nfs/dbraw/zinc/63/93/62/1268639362.db2.gz OYNBFPLMLQHXEE-XLIONFOSSA-N 2 1 356.470 0.512 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553370156 1268639372 /nfs/dbraw/zinc/63/93/72/1268639372.db2.gz OYNBFPLMLQHXEE-XLIONFOSSA-N 2 1 356.470 0.512 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@H]2C1 ZINC001553389251 1268642503 /nfs/dbraw/zinc/64/25/03/1268642503.db2.gz KXMPABRIJGBKTR-OXJNMPFZSA-N 2 1 372.469 0.639 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450239 1268652635 /nfs/dbraw/zinc/65/26/35/1268652635.db2.gz ITFIGLJHLBAEOG-NVXWUHKLSA-N 2 1 365.522 0.223 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450239 1268652636 /nfs/dbraw/zinc/65/26/36/1268652636.db2.gz ITFIGLJHLBAEOG-NVXWUHKLSA-N 2 1 365.522 0.223 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC12CCOCC2 ZINC001553459762 1268654912 /nfs/dbraw/zinc/65/49/12/1268654912.db2.gz FHNVMDRMUUDZQK-GVDBMIGSSA-N 2 1 366.506 0.779 20 0 FCADMP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001553620491 1268671053 /nfs/dbraw/zinc/67/10/53/1268671053.db2.gz GNLFFKMNPVHHRJ-OTRWWLKZSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001553620491 1268671062 /nfs/dbraw/zinc/67/10/62/1268671062.db2.gz GNLFFKMNPVHHRJ-OTRWWLKZSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001553620491 1268671072 /nfs/dbraw/zinc/67/10/72/1268671072.db2.gz GNLFFKMNPVHHRJ-OTRWWLKZSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001553620491 1268671081 /nfs/dbraw/zinc/67/10/81/1268671081.db2.gz GNLFFKMNPVHHRJ-OTRWWLKZSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001553620491 1268671088 /nfs/dbraw/zinc/67/10/88/1268671088.db2.gz GNLFFKMNPVHHRJ-OTRWWLKZSA-N 2 1 361.490 0.447 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001340892415 1268696683 /nfs/dbraw/zinc/69/66/83/1268696683.db2.gz GFNXKOWEELZPQJ-SFHVURJKSA-N 2 1 361.490 0.155 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001341685911 1269151536 /nfs/dbraw/zinc/15/15/36/1269151536.db2.gz ZQQIJBJOQPLRFC-WBVHZDCISA-N 2 1 359.474 0.226 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC001341697500 1269156923 /nfs/dbraw/zinc/15/69/23/1269156923.db2.gz RPDQHNBJFSVQHS-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)o1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001341750020 1269184656 /nfs/dbraw/zinc/18/46/56/1269184656.db2.gz DKRIOCVDQVGKTG-CQSZACIVSA-N 2 1 361.446 0.178 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341958420 1269279144 /nfs/dbraw/zinc/27/91/44/1269279144.db2.gz MWHJDLWTAKCUSP-FUHWJXTLSA-N 2 1 373.501 0.297 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC001342133932 1269363807 /nfs/dbraw/zinc/36/38/07/1269363807.db2.gz CFKRPPXXZOACIL-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001566649402 1269654848 /nfs/dbraw/zinc/65/48/48/1269654848.db2.gz SFBWYAMDLANZIE-KZNAEPCWSA-N 2 1 352.523 0.487 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)cc2)CC1 ZINC001343372168 1269882105 /nfs/dbraw/zinc/88/21/05/1269882105.db2.gz QKQDZMNGTHWSBT-RCCFBDPRSA-N 2 1 356.470 0.831 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2 ZINC001343503183 1269930179 /nfs/dbraw/zinc/93/01/79/1269930179.db2.gz XMUJOWIPOREDAL-YOEHRIQHSA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)C2 ZINC001343503183 1269930185 /nfs/dbraw/zinc/93/01/85/1269930185.db2.gz XMUJOWIPOREDAL-YOEHRIQHSA-N 2 1 359.474 0.695 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC ZINC001572961903 1270416005 /nfs/dbraw/zinc/41/60/05/1270416005.db2.gz FRRWLQWFDRLQKA-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607787 1278566481 /nfs/dbraw/zinc/56/64/81/1278566481.db2.gz AOIAWXRNMRGQLQ-LSDHHAIUSA-N 2 1 353.532 0.967 20 0 FCADMP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580617776 1278571643 /nfs/dbraw/zinc/57/16/43/1278571643.db2.gz KAFHGYPWZQLEAD-OAGGEKHMSA-N 2 1 353.463 0.877 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574260382 1271132258 /nfs/dbraw/zinc/13/22/58/1271132258.db2.gz HJIPZFAWLYMIKW-HZPDHXFCSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543191 1271327067 /nfs/dbraw/zinc/32/70/67/1271327067.db2.gz GXHKVFQRJLJMLV-STQMWFEESA-N 2 1 360.466 0.719 20 0 FCADMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603275 1271407740 /nfs/dbraw/zinc/40/77/40/1271407740.db2.gz BLQLWIAWAJOQAY-OLZOCXBDSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574803641 1271539894 /nfs/dbraw/zinc/53/98/94/1271539894.db2.gz FUIPIOHAPMJJPA-JHJVBQTASA-N 2 1 358.450 0.543 20 0 FCADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574854635 1271608412 /nfs/dbraw/zinc/60/84/12/1271608412.db2.gz RPQGNFJLWLPQJD-CQSZACIVSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874825 1271629370 /nfs/dbraw/zinc/62/93/70/1271629370.db2.gz DVHZWCKLRIWVCF-WCQYABFASA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877489 1271635672 /nfs/dbraw/zinc/63/56/72/1271635672.db2.gz SGLICDYCEWUKKV-BBRMVZONSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877489 1271635679 /nfs/dbraw/zinc/63/56/79/1271635679.db2.gz SGLICDYCEWUKKV-BBRMVZONSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574877489 1271635684 /nfs/dbraw/zinc/63/56/84/1271635684.db2.gz SGLICDYCEWUKKV-BBRMVZONSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896802 1271659090 /nfs/dbraw/zinc/65/90/90/1271659090.db2.gz INKRAXJBKQYZMT-STQMWFEESA-N 2 1 358.450 0.544 20 0 FCADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896800 1271659544 /nfs/dbraw/zinc/65/95/44/1271659544.db2.gz INKRAXJBKQYZMT-OLZOCXBDSA-N 2 1 358.450 0.544 20 0 FCADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575161048 1271757519 /nfs/dbraw/zinc/75/75/19/1271757519.db2.gz URVBQJICFUVCCH-CABCVRRESA-N 2 1 352.479 0.938 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419481 1272075086 /nfs/dbraw/zinc/07/50/86/1272075086.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCc2c[nH]nn2)C1 ZINC001575419481 1272075094 /nfs/dbraw/zinc/07/50/94/1272075094.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575419481 1272075107 /nfs/dbraw/zinc/07/51/07/1272075107.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419481 1272075111 /nfs/dbraw/zinc/07/51/11/1272075111.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419481 1272075118 /nfs/dbraw/zinc/07/51/18/1272075118.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001575419481 1272075121 /nfs/dbraw/zinc/07/51/21/1272075121.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575419481 1272075128 /nfs/dbraw/zinc/07/51/28/1272075128.db2.gz APVTYEFIUFJRPP-FUHWJXTLSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[C@@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575458009 1272128561 /nfs/dbraw/zinc/12/85/61/1272128561.db2.gz AMHBQIVEAYPFFX-GJZGRUSLSA-N 2 1 372.477 0.239 20 0 FCADMP CC(C)[C@@H]([NH3+])Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575458009 1272128563 /nfs/dbraw/zinc/12/85/63/1272128563.db2.gz AMHBQIVEAYPFFX-GJZGRUSLSA-N 2 1 372.477 0.239 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566661 1272202155 /nfs/dbraw/zinc/20/21/55/1272202155.db2.gz LEVLMSKUBYQHLT-HZPDHXFCSA-N 2 1 364.494 0.144 20 0 FCADMP CC(C)Cc1nnc(N2CCC(C[NH3+])CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001575665687 1272278446 /nfs/dbraw/zinc/27/84/46/1272278446.db2.gz WKWINLOAYCCVSK-GOSISDBHSA-N 2 1 350.511 0.718 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[NH2+][C@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001575716336 1272359786 /nfs/dbraw/zinc/35/97/86/1272359786.db2.gz PAIVFLBAMPGWLQ-OAHLLOKOSA-N 2 1 361.494 0.476 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](C)C[NH3+] ZINC001575989788 1272650767 /nfs/dbraw/zinc/65/07/67/1272650767.db2.gz CJGWVDUHHYYXJX-RBSFLKMASA-N 2 1 363.510 0.684 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007168 1272692980 /nfs/dbraw/zinc/69/29/80/1272692980.db2.gz ZRDQWBFXZQRMNA-KBPBESRZSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007168 1272692986 /nfs/dbraw/zinc/69/29/86/1272692986.db2.gz ZRDQWBFXZQRMNA-KBPBESRZSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576114140 1272904122 /nfs/dbraw/zinc/90/41/22/1272904122.db2.gz FMBJRPBZYKSIJH-BETUJISGSA-N 2 1 358.450 0.427 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576114548 1272905246 /nfs/dbraw/zinc/90/52/46/1272905246.db2.gz JPMMUZBFWLSMHY-ZIAGYGMSSA-N 2 1 370.461 0.783 20 0 FCADMP CC[C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1c[nH]nn1)CC2)[NH+](C)C ZINC001576182616 1272978951 /nfs/dbraw/zinc/97/89/51/1272978951.db2.gz APBIVDWTRWZFFA-CVEARBPZSA-N 2 1 364.494 0.632 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576497081 1273353134 /nfs/dbraw/zinc/35/31/34/1273353134.db2.gz BSCYYSOXCZPUAQ-CVEARBPZSA-N 2 1 357.462 0.897 20 0 FCADMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576506665 1273377381 /nfs/dbraw/zinc/37/73/81/1273377381.db2.gz RQHPGMZNSOUUOF-HNNXBMFYSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708452 1273579061 /nfs/dbraw/zinc/57/90/61/1273579061.db2.gz DPUGLCGBRWGSSB-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708452 1273579071 /nfs/dbraw/zinc/57/90/71/1273579071.db2.gz DPUGLCGBRWGSSB-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715117 1273586225 /nfs/dbraw/zinc/58/62/25/1273586225.db2.gz SFFDZYRYDGYZMK-RBSFLKMASA-N 2 1 361.494 0.512 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789383 1273683364 /nfs/dbraw/zinc/68/33/64/1273683364.db2.gz GENLPVQZHQIVER-JKSUJKDBSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828554 1273754497 /nfs/dbraw/zinc/75/44/97/1273754497.db2.gz IHNKCSFPNPHLDR-ZBFHGGJFSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@@H]1CN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828554 1273754500 /nfs/dbraw/zinc/75/45/00/1273754500.db2.gz IHNKCSFPNPHLDR-ZBFHGGJFSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@@H]1CN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828554 1273754505 /nfs/dbraw/zinc/75/45/05/1273754505.db2.gz IHNKCSFPNPHLDR-ZBFHGGJFSA-N 2 1 361.538 0.965 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902199 1273906592 /nfs/dbraw/zinc/90/65/92/1273906592.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001576902199 1273906601 /nfs/dbraw/zinc/90/66/01/1273906601.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576902199 1273906604 /nfs/dbraw/zinc/90/66/04/1273906604.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902199 1273906607 /nfs/dbraw/zinc/90/66/07/1273906607.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902199 1273906615 /nfs/dbraw/zinc/90/66/15/1273906615.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001576902199 1273906621 /nfs/dbraw/zinc/90/66/21/1273906621.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576902199 1273906626 /nfs/dbraw/zinc/90/66/26/1273906626.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902875 1273908669 /nfs/dbraw/zinc/90/86/69/1273908669.db2.gz GHEAOACJRZJPSZ-HOTGVXAUSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902875 1273908694 /nfs/dbraw/zinc/90/86/94/1273908694.db2.gz GHEAOACJRZJPSZ-HOTGVXAUSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902875 1273908702 /nfs/dbraw/zinc/90/87/02/1273908702.db2.gz GHEAOACJRZJPSZ-HOTGVXAUSA-N 2 1 362.478 0.181 20 0 FCADMP C[C@@H](C[NH2+]CCc1cn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001577138880 1274190287 /nfs/dbraw/zinc/19/02/87/1274190287.db2.gz UJHRKGFFMUDLAZ-QGTPRVQTSA-N 2 1 356.474 0.787 20 0 FCADMP C[C@@H](C[NH2+]CCc1c[nH]nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001577138880 1274190290 /nfs/dbraw/zinc/19/02/90/1274190290.db2.gz UJHRKGFFMUDLAZ-QGTPRVQTSA-N 2 1 356.474 0.787 20 0 FCADMP C[C@@H](C[NH2+]CCc1c[nH]nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001577138880 1274190293 /nfs/dbraw/zinc/19/02/93/1274190293.db2.gz UJHRKGFFMUDLAZ-QGTPRVQTSA-N 2 1 356.474 0.787 20 0 FCADMP CCC[N@@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CC[NH2+]CC1 ZINC001577507248 1274459424 /nfs/dbraw/zinc/45/94/24/1274459424.db2.gz KMKOMXXUZATEJN-UHFFFAOYSA-N 2 1 363.510 0.542 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(CC)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577550283 1274489083 /nfs/dbraw/zinc/48/90/83/1274489083.db2.gz CGZBHQURWNYFCY-UHFFFAOYSA-N 2 1 360.466 0.594 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551773 1274491451 /nfs/dbraw/zinc/49/14/51/1274491451.db2.gz UXJVUCMIKOOBLA-UONOGXRCSA-N 2 1 372.477 0.532 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551764 1274491719 /nfs/dbraw/zinc/49/17/19/1274491719.db2.gz UXJVUCMIKOOBLA-KBPBESRZSA-N 2 1 372.477 0.532 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577553793 1274495769 /nfs/dbraw/zinc/49/57/69/1274495769.db2.gz IYOHRCWZWGKOCJ-DZGCQCFKSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577555392 1274496502 /nfs/dbraw/zinc/49/65/02/1274496502.db2.gz ZDDCFYGHMMZQAS-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555336 1274497192 /nfs/dbraw/zinc/49/71/92/1274497192.db2.gz YFFSDWFDIOKWGT-ZDUSSCGKSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577555088 1274497612 /nfs/dbraw/zinc/49/76/12/1274497612.db2.gz XQZCGDLDNUEXBJ-HIFRSBDPSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577559288 1274504150 /nfs/dbraw/zinc/50/41/50/1274504150.db2.gz WFOQFPMPHQBLAV-UHFFFAOYSA-N 2 1 372.477 0.866 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560209 1274506100 /nfs/dbraw/zinc/50/61/00/1274506100.db2.gz BIIBTXWWQFAGPR-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560209 1274506108 /nfs/dbraw/zinc/50/61/08/1274506108.db2.gz BIIBTXWWQFAGPR-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560209 1274506116 /nfs/dbraw/zinc/50/61/16/1274506116.db2.gz BIIBTXWWQFAGPR-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563763 1274517569 /nfs/dbraw/zinc/51/75/69/1274517569.db2.gz ZYHDXBFLOSXEGJ-UHFFFAOYSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565342 1274519959 /nfs/dbraw/zinc/51/99/59/1274519959.db2.gz QLYNODVXBZLERD-JOCQHMNTSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577565449 1274522910 /nfs/dbraw/zinc/52/29/10/1274522910.db2.gz XIQQAXCFCJWSRN-BETUJISGSA-N 2 1 358.450 0.393 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577567864 1274524442 /nfs/dbraw/zinc/52/44/42/1274524442.db2.gz JMTPSYLCIDVKLY-UKRRQHHQSA-N 2 1 372.477 0.817 20 0 FCADMP CCCN(CCNC(=O)C12CC[NH+](CC1)C2)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577588510 1274555861 /nfs/dbraw/zinc/55/58/61/1274555861.db2.gz PUJCWBPMMLAHTR-UHFFFAOYSA-N 2 1 370.461 0.690 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664770 1274677753 /nfs/dbraw/zinc/67/77/53/1274677753.db2.gz IGAKHMFOEJMUFV-AWEZNQCLSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668844 1274693953 /nfs/dbraw/zinc/69/39/53/1274693953.db2.gz NPNMXXUHPWWOFY-CZUORRHYSA-N 2 1 372.477 0.783 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673908 1274708827 /nfs/dbraw/zinc/70/88/27/1274708827.db2.gz ZXVDOKPVFCTJJO-CZUORRHYSA-N 2 1 372.477 0.783 20 0 FCADMP CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC001577731010 1274807622 /nfs/dbraw/zinc/80/76/22/1274807622.db2.gz CVMQAYCSYBALBE-HNNXBMFYSA-N 2 1 359.478 0.921 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001577767954 1274854215 /nfs/dbraw/zinc/85/42/15/1274854215.db2.gz RYDOCPLIICBZHA-UHFFFAOYSA-N 3 1 351.539 0.300 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)N3CCNCC3)CC2)CC1 ZINC001577767954 1274854220 /nfs/dbraw/zinc/85/42/20/1274854220.db2.gz RYDOCPLIICBZHA-UHFFFAOYSA-N 2 1 351.539 0.300 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)N3CCNCC3)CC2)CC1 ZINC001577767954 1274854230 /nfs/dbraw/zinc/85/42/30/1274854230.db2.gz RYDOCPLIICBZHA-UHFFFAOYSA-N 2 1 351.539 0.300 20 0 FCADMP CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)C1 ZINC001577774158 1274864710 /nfs/dbraw/zinc/86/47/10/1274864710.db2.gz UFHAJVLNZCEZGM-ZNMIVQPWSA-N 2 1 361.494 0.293 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001577778234 1274871830 /nfs/dbraw/zinc/87/18/30/1274871830.db2.gz NNTINYUTAATRNH-JKSUJKDBSA-N 2 1 355.527 0.816 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)C[C@H]1C ZINC001577780737 1274876831 /nfs/dbraw/zinc/87/68/31/1274876831.db2.gz DYAORUVQOIAPDN-KGLIPLIRSA-N 2 1 359.482 0.410 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577780766 1274876932 /nfs/dbraw/zinc/87/69/32/1274876932.db2.gz FMZUDZIUQXPRSJ-ZIAGYGMSSA-N 2 1 372.477 0.803 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577849163 1274983646 /nfs/dbraw/zinc/98/36/46/1274983646.db2.gz DYKSGFJQUJOGGV-ZDUSSCGKSA-N 2 1 360.466 0.593 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577851895 1274991572 /nfs/dbraw/zinc/99/15/72/1274991572.db2.gz FKWRQIUMEFBMGQ-ZDUSSCGKSA-N 2 1 358.450 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577851895 1274991579 /nfs/dbraw/zinc/99/15/79/1274991579.db2.gz FKWRQIUMEFBMGQ-ZDUSSCGKSA-N 2 1 358.450 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577856280 1275007280 /nfs/dbraw/zinc/00/72/80/1275007280.db2.gz VQTHXQLJCIMJMB-CQSZACIVSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577856308 1275012801 /nfs/dbraw/zinc/01/28/01/1275012801.db2.gz WSDKXNKRFHOMHV-ZIAGYGMSSA-N 2 1 372.477 0.817 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577859526 1275019985 /nfs/dbraw/zinc/01/99/85/1275019985.db2.gz KJMFAHMDSXAPKS-KRWDZBQOSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577859526 1275019991 /nfs/dbraw/zinc/01/99/91/1275019991.db2.gz KJMFAHMDSXAPKS-KRWDZBQOSA-N 2 1 358.450 0.689 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862866 1275028801 /nfs/dbraw/zinc/02/88/01/1275028801.db2.gz LYHCPSLLTFJPIB-UKRRQHHQSA-N 2 1 372.477 0.722 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863720 1275039461 /nfs/dbraw/zinc/03/94/61/1275039461.db2.gz YZNXBBCQTMKBTK-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863720 1275039470 /nfs/dbraw/zinc/03/94/70/1275039470.db2.gz YZNXBBCQTMKBTK-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577863720 1275039478 /nfs/dbraw/zinc/03/94/78/1275039478.db2.gz YZNXBBCQTMKBTK-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577866199 1275044025 /nfs/dbraw/zinc/04/40/25/1275044025.db2.gz BXAZNNABRYEAHO-UHFFFAOYSA-N 2 1 358.450 0.395 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001577866540 1275047423 /nfs/dbraw/zinc/04/74/23/1275047423.db2.gz IGTMIUBFYSWNRP-UHFFFAOYSA-N 2 1 357.462 0.947 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577871406 1275062303 /nfs/dbraw/zinc/06/23/03/1275062303.db2.gz GHQWUVVOQNAIGA-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577871406 1275062310 /nfs/dbraw/zinc/06/23/10/1275062310.db2.gz GHQWUVVOQNAIGA-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577871406 1275062316 /nfs/dbraw/zinc/06/23/16/1275062316.db2.gz GHQWUVVOQNAIGA-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP O=C(NC[C@H](CO)[NH2+]CCc1cn[nH]n1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986372 1275224613 /nfs/dbraw/zinc/22/46/13/1275224613.db2.gz AVBGLGFUBQTAPE-WBVHZDCISA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@H](CO)[NH2+]CCc1c[nH]nn1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986372 1275224620 /nfs/dbraw/zinc/22/46/20/1275224620.db2.gz AVBGLGFUBQTAPE-WBVHZDCISA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@H](CO)[NH2+]CCc1c[nH]nn1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986372 1275224624 /nfs/dbraw/zinc/22/46/24/1275224624.db2.gz AVBGLGFUBQTAPE-WBVHZDCISA-N 2 1 364.494 0.211 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578055240 1275346577 /nfs/dbraw/zinc/34/65/77/1275346577.db2.gz PNDQSBDJNHQCEN-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578055240 1275346580 /nfs/dbraw/zinc/34/65/80/1275346580.db2.gz PNDQSBDJNHQCEN-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578055240 1275346586 /nfs/dbraw/zinc/34/65/86/1275346586.db2.gz PNDQSBDJNHQCEN-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001578109930 1275412276 /nfs/dbraw/zinc/41/22/76/1275412276.db2.gz NHWUNDFAVVLHSH-HNNXBMFYSA-N 2 1 358.450 0.347 20 0 FCADMP CCOCCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578115266 1275417085 /nfs/dbraw/zinc/41/70/85/1275417085.db2.gz DHPXOBZUFNANSK-MAUKXSAKSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001578134945 1275433777 /nfs/dbraw/zinc/43/37/77/1275433777.db2.gz HJWLOZWAWCJTFO-HNNXBMFYSA-N 2 1 365.526 0.378 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001578141936 1275440564 /nfs/dbraw/zinc/44/05/64/1275440564.db2.gz GTBXFUYMACCKNJ-CVEARBPZSA-N 2 1 366.510 0.581 20 0 FCADMP CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H](C)C[NH2+]C ZINC001578305863 1275639954 /nfs/dbraw/zinc/63/99/54/1275639954.db2.gz QBQQYNDRTDIDCT-PMPSAXMXSA-N 2 1 350.511 0.853 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001578311159 1275649704 /nfs/dbraw/zinc/64/97/04/1275649704.db2.gz DGGQZOVISHQYNZ-DLBZAZTESA-N 2 1 363.554 0.899 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)n2C ZINC001578432583 1275806749 /nfs/dbraw/zinc/80/67/49/1275806749.db2.gz QRLSINDDTYOYBY-NXEZZACHSA-N 2 1 356.352 0.996 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447463 1275842474 /nfs/dbraw/zinc/84/24/74/1275842474.db2.gz SNNZSBQAJNSRPF-KCQAQPDRSA-N 2 1 372.477 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578448894 1275844015 /nfs/dbraw/zinc/84/40/15/1275844015.db2.gz MGTMGSDWJFWUCA-DVOMOZLQSA-N 2 1 372.477 0.639 20 0 FCADMP CN(c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CC=CCC1)C1CC[NH2+]CC1 ZINC001578508214 1275940221 /nfs/dbraw/zinc/94/02/21/1275940221.db2.gz CGLMJQDUHWSKCB-MRXNPFEDSA-N 2 1 373.505 0.679 20 0 FCADMP CN(c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CC=CCC1)C1CC[NH2+]CC1 ZINC001578508213 1275940614 /nfs/dbraw/zinc/94/06/14/1275940614.db2.gz CGLMJQDUHWSKCB-INIZCTEOSA-N 2 1 373.505 0.679 20 0 FCADMP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525016 1275958233 /nfs/dbraw/zinc/95/82/33/1275958233.db2.gz MJXOMTIEPDDZJG-DLBZAZTESA-N 2 1 352.523 0.900 20 0 FCADMP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578524247 1275958421 /nfs/dbraw/zinc/95/84/21/1275958421.db2.gz CANAKPXTURPFKE-FGTMMUONSA-N 2 1 352.523 0.770 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529713 1275961646 /nfs/dbraw/zinc/96/16/46/1275961646.db2.gz YLQVBRYLCSUBQA-RRFJBIMHSA-N 2 1 350.463 0.550 20 0 FCADMP C[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578731335 1276207537 /nfs/dbraw/zinc/20/75/37/1276207537.db2.gz KUCFNBGYCHQYGR-INIZCTEOSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578731335 1276207540 /nfs/dbraw/zinc/20/75/40/1276207540.db2.gz KUCFNBGYCHQYGR-INIZCTEOSA-N 2 1 357.462 0.004 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001578841491 1276359946 /nfs/dbraw/zinc/35/99/46/1276359946.db2.gz GJFGTIBPAKRECN-ZXFNITATSA-N 2 1 352.479 0.640 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC001578843440 1276363056 /nfs/dbraw/zinc/36/30/56/1276363056.db2.gz UBVVEYUYSJRILH-NTODXPRQSA-N 2 1 364.490 0.925 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578970991 1276515302 /nfs/dbraw/zinc/51/53/02/1276515302.db2.gz PZNMLZTZEBOOKY-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578972925 1276517906 /nfs/dbraw/zinc/51/79/06/1276517906.db2.gz FKHGOELWQKAPIH-LBPRGKRZSA-N 2 1 363.491 0.913 20 0 FCADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001578973954 1276520901 /nfs/dbraw/zinc/52/09/01/1276520901.db2.gz DJKAVLWIAIWBEA-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578975548 1276524649 /nfs/dbraw/zinc/52/46/49/1276524649.db2.gz AYAYXJLFHJJLLE-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578980572 1276540117 /nfs/dbraw/zinc/54/01/17/1276540117.db2.gz LNIUVINGEMCPLB-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578982085 1276544237 /nfs/dbraw/zinc/54/42/37/1276544237.db2.gz DTOACUXYVDXZFB-OKILXGFUSA-N 2 1 370.461 0.783 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578987526 1276556615 /nfs/dbraw/zinc/55/66/15/1276556615.db2.gz IEFIAXSCWJAHSL-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578990759 1276563918 /nfs/dbraw/zinc/56/39/18/1276563918.db2.gz ITCYKFQIYRYAKB-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579004916 1276574224 /nfs/dbraw/zinc/57/42/24/1276574224.db2.gz WENDVCBDDPTVFV-UHFFFAOYSA-N 2 1 370.461 0.569 20 0 FCADMP C[N@@H+](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)CC(C)(C)C ZINC001579016973 1276591852 /nfs/dbraw/zinc/59/18/52/1276591852.db2.gz ZQNFOLIPVMXWOS-UHFFFAOYSA-N 2 1 372.477 0.722 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCOC(C)C)CC1 ZINC001579037621 1276621399 /nfs/dbraw/zinc/62/13/99/1276621399.db2.gz UJGWIFNRQXWOAT-INIZCTEOSA-N 2 1 366.510 0.896 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH3+])C[C@H]1C ZINC001579038377 1276622592 /nfs/dbraw/zinc/62/25/92/1276622592.db2.gz GOAQXHMVZPYYEP-HUUCEWRRSA-N 2 1 374.493 0.487 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001579133344 1276826383 /nfs/dbraw/zinc/82/63/83/1276826383.db2.gz XIXPUOIPQULWRP-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175684 1276933758 /nfs/dbraw/zinc/93/37/58/1276933758.db2.gz CVMZSDZNJZCRFR-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175684 1276933766 /nfs/dbraw/zinc/93/37/66/1276933766.db2.gz CVMZSDZNJZCRFR-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579175684 1276933773 /nfs/dbraw/zinc/93/37/73/1276933773.db2.gz CVMZSDZNJZCRFR-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176243 1276935600 /nfs/dbraw/zinc/93/56/00/1276935600.db2.gz JDVKIBHADYGQBU-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176243 1276935602 /nfs/dbraw/zinc/93/56/02/1276935602.db2.gz JDVKIBHADYGQBU-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579176243 1276935605 /nfs/dbraw/zinc/93/56/05/1276935605.db2.gz JDVKIBHADYGQBU-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579255722 1277050404 /nfs/dbraw/zinc/05/04/04/1277050404.db2.gz DEKJBHOYTYCEIU-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001579260465 1277054086 /nfs/dbraw/zinc/05/40/86/1277054086.db2.gz FIQBILYYRKTENO-OAHLLOKOSA-N 2 1 366.429 0.865 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579325161 1277142610 /nfs/dbraw/zinc/14/26/10/1277142610.db2.gz AZPFCQAVPGZKEK-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325465 1277146160 /nfs/dbraw/zinc/14/61/60/1277146160.db2.gz CWQBBQUNPWPODO-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326967 1277153296 /nfs/dbraw/zinc/15/32/96/1277153296.db2.gz NJHOPNUITNHSMT-GDBMZVCRSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333736 1277168842 /nfs/dbraw/zinc/16/88/42/1277168842.db2.gz SNJAXOHZDYTLDV-SJORKVTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343656 1277193172 /nfs/dbraw/zinc/19/31/72/1277193172.db2.gz AXLMUKBESBEMHM-MCIONIFRSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345079 1277196138 /nfs/dbraw/zinc/19/61/38/1277196138.db2.gz UGLJVYYAHKWNKH-BLLLJJGKSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345082 1277196253 /nfs/dbraw/zinc/19/62/53/1277196253.db2.gz UGLJVYYAHKWNKH-WBMJQRKESA-N 2 1 370.461 0.332 20 0 FCADMP CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@@H](O)C1CC[NH2+]CC1)C2 ZINC001579347587 1277201570 /nfs/dbraw/zinc/20/15/70/1277201570.db2.gz HBWKOHAJNMAVCL-QGZVFWFLSA-N 2 1 353.488 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579348195 1277203131 /nfs/dbraw/zinc/20/31/31/1277203131.db2.gz WHZZSFWMKFEUJB-BHYGNILZSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353909 1277216601 /nfs/dbraw/zinc/21/66/01/1277216601.db2.gz WNGMPCBLNKKMBJ-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359786 1277232786 /nfs/dbraw/zinc/23/27/86/1277232786.db2.gz DFRMBKQVQFJKEL-JYJNAYRXSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579359502 1277233658 /nfs/dbraw/zinc/23/36/58/1277233658.db2.gz WJVWTCUAQLVKQG-OAHLLOKOSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361432 1277238114 /nfs/dbraw/zinc/23/81/14/1277238114.db2.gz KVNLVZZJJKFKGG-MGPQQGTHSA-N 2 1 370.461 0.617 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579372116 1277253759 /nfs/dbraw/zinc/25/37/59/1277253759.db2.gz JLMIZGDOSYSERQ-FRFSOERESA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H]([NH3+])Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001579403874 1277287470 /nfs/dbraw/zinc/28/74/70/1277287470.db2.gz AAQFOMPHSHTMLG-CVEARBPZSA-N 2 1 371.489 0.846 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001579444516 1277332228 /nfs/dbraw/zinc/33/22/28/1277332228.db2.gz QWUSPICMUVNFAQ-KDOFPFPSSA-N 2 1 357.462 0.205 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001579475684 1277382245 /nfs/dbraw/zinc/38/22/45/1277382245.db2.gz MJAWGYZSZZFMGB-GDBMZVCRSA-N 2 1 359.474 0.379 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCC3(C[NH2+]C3)O2)cn1 ZINC001579881734 1277948499 /nfs/dbraw/zinc/94/84/99/1277948499.db2.gz KACAPSZCLBSRNC-HNNXBMFYSA-N 2 1 356.430 0.896 20 0 FCADMP Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CC[NH2+]CC1 ZINC001579882617 1277948811 /nfs/dbraw/zinc/94/88/11/1277948811.db2.gz BGFDBPMXOWIJHK-UHFFFAOYSA-N 2 1 360.466 0.421 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001579883190 1277949052 /nfs/dbraw/zinc/94/90/52/1277949052.db2.gz KZFADGIAPXFTEQ-KFWWJZLASA-N 2 1 354.476 0.063 20 0 FCADMP Cn1cc(-c2nnc(N3CC[C@@H]([NH3+])C3)n2C[C@H]2CCC[N@H+]2CCCO)cn1 ZINC001579951478 1277976541 /nfs/dbraw/zinc/97/65/41/1277976541.db2.gz NYBFGEKCDSLTKJ-HZPDHXFCSA-N 2 1 374.493 0.063 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001579950005 1277977085 /nfs/dbraw/zinc/97/70/85/1277977085.db2.gz YIJMJVVMVZBXAM-OAHLLOKOSA-N 2 1 373.461 0.518 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001714391619 1287320838 /nfs/dbraw/zinc/32/08/38/1287320838.db2.gz UOYYMQNSXKWXPR-RBSFLKMASA-N 2 1 359.536 0.493 20 0 FCADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001580863975 1279061733 /nfs/dbraw/zinc/06/17/33/1279061733.db2.gz XNOZSDYEYLXFJK-SQNIBIBYSA-N 2 1 365.499 0.511 20 0 FCADMP Cc1cc(N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948841 1279155519 /nfs/dbraw/zinc/15/55/19/1279155519.db2.gz BHNHJKJNANCYIQ-CHWSQXEVSA-N 2 1 358.450 0.463 20 0 FCADMP Cc1cc(N(CCNC(=O)C[N@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949866 1279156638 /nfs/dbraw/zinc/15/66/38/1279156638.db2.gz RBJGDYIKYPIQLL-UHFFFAOYSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954882 1279158347 /nfs/dbraw/zinc/15/83/47/1279158347.db2.gz BZEPQSZNRUEWHV-UONOGXRCSA-N 2 1 370.461 0.559 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001581009229 1279234859 /nfs/dbraw/zinc/23/48/59/1279234859.db2.gz JLYFZVVPYGYSAH-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001581009229 1279234867 /nfs/dbraw/zinc/23/48/67/1279234867.db2.gz JLYFZVVPYGYSAH-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010115 1279235786 /nfs/dbraw/zinc/23/57/86/1279235786.db2.gz FEUOQLANQAPAFB-OLZOCXBDSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010263 1279236228 /nfs/dbraw/zinc/23/62/28/1279236228.db2.gz IFJKMEGATLDITA-NHYWBVRUSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010408 1279236623 /nfs/dbraw/zinc/23/66/23/1279236623.db2.gz MJILLUXBBKSEJP-LRDDRELGSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013268 1279239582 /nfs/dbraw/zinc/23/95/82/1279239582.db2.gz LXIXQWUMGXFYQM-CYBMUJFWSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018797 1279250296 /nfs/dbraw/zinc/25/02/96/1279250296.db2.gz BPPOUJWFHFKCCR-MOKVOYLWSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026505 1279259147 /nfs/dbraw/zinc/25/91/47/1279259147.db2.gz LVXHFGYIMBDLNL-QWHCGFSZSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030102 1279266727 /nfs/dbraw/zinc/26/67/27/1279266727.db2.gz LDHHXAPNDYEEML-CJNGLKHVSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030912 1279269994 /nfs/dbraw/zinc/26/99/94/1279269994.db2.gz UEJQAMHTRSIDJS-GFCCVEGCSA-N 2 1 358.450 0.393 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318343 1287352094 /nfs/dbraw/zinc/35/20/94/1287352094.db2.gz GUEWSQHYTGDXHS-UONOGXRCSA-N 2 1 372.477 0.721 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581337693 1279715573 /nfs/dbraw/zinc/71/55/73/1279715573.db2.gz FIODCAPHGSMIGT-MRXNPFEDSA-N 2 1 366.429 0.762 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581563129 1280138817 /nfs/dbraw/zinc/13/88/17/1280138817.db2.gz JIFUGDGMBSJPTK-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582099310 1281056103 /nfs/dbraw/zinc/05/61/03/1281056103.db2.gz OHSMLDMMCPFTGS-OAHLLOKOSA-N 2 1 355.446 0.653 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001582310988 1281312224 /nfs/dbraw/zinc/31/22/24/1281312224.db2.gz RQXARSCPYZKWDQ-LBPRGKRZSA-N 2 1 373.486 0.715 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001718472519 1287505866 /nfs/dbraw/zinc/50/58/66/1287505866.db2.gz ULYAOHNWERYXRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001718472519 1287505872 /nfs/dbraw/zinc/50/58/72/1287505872.db2.gz ULYAOHNWERYXRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001718472519 1287505876 /nfs/dbraw/zinc/50/58/76/1287505876.db2.gz ULYAOHNWERYXRA-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001603855015 1287522264 /nfs/dbraw/zinc/52/22/64/1287522264.db2.gz MDMWIDJOOBSUSG-VMGRFDJRSA-N 2 1 369.473 0.995 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001603855015 1287522271 /nfs/dbraw/zinc/52/22/71/1287522271.db2.gz MDMWIDJOOBSUSG-VMGRFDJRSA-N 2 1 369.473 0.995 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C[NH3+] ZINC001590192626 1283298270 /nfs/dbraw/zinc/29/82/70/1283298270.db2.gz VITMZUYAFKHUMV-BFJAYTPKSA-N 2 1 360.462 0.912 20 0 FCADMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213066 1283345754 /nfs/dbraw/zinc/34/57/54/1283345754.db2.gz ARAWZHXRUAOOII-OSLDLMBLSA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@H]1C[NH3+] ZINC001590264037 1283386935 /nfs/dbraw/zinc/38/69/35/1283386935.db2.gz PTKNZDMVNOKSFG-XFJVYGCCSA-N 2 1 355.446 0.497 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590276469 1283403514 /nfs/dbraw/zinc/40/35/14/1283403514.db2.gz AGQLXOBWBYAEJQ-NSLUBLRVSA-N 2 1 355.446 0.556 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001682287310 1283556144 /nfs/dbraw/zinc/55/61/44/1283556144.db2.gz ZEFILOMHRPFULD-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590624095 1283662901 /nfs/dbraw/zinc/66/29/01/1283662901.db2.gz CQADZHXGNSFMEJ-MRXNPFEDSA-N 2 1 357.462 0.902 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590624095 1283662922 /nfs/dbraw/zinc/66/29/22/1283662922.db2.gz CQADZHXGNSFMEJ-MRXNPFEDSA-N 2 1 357.462 0.902 20 0 FCADMP CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001590727938 1283755553 /nfs/dbraw/zinc/75/55/53/1283755553.db2.gz WWTRNDQODXXIQX-KRWDZBQOSA-N 2 1 369.473 0.902 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590732522 1283765381 /nfs/dbraw/zinc/76/53/81/1283765381.db2.gz BFNGSKIUJDVQHG-MRXNPFEDSA-N 2 1 357.462 0.947 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733024 1283767845 /nfs/dbraw/zinc/76/78/45/1283767845.db2.gz KKYVRWKMHHAMIR-YIEVGGLXSA-N 2 1 370.461 0.642 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O ZINC001683675345 1284083554 /nfs/dbraw/zinc/08/35/54/1284083554.db2.gz IQEWMIYQMSAMKV-SJORKVTESA-N 2 1 368.522 0.137 20 0 FCADMP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CC[NH+]1CCOCC1 ZINC001591104980 1284176778 /nfs/dbraw/zinc/17/67/78/1284176778.db2.gz XPAWFCBBUQRLMN-UHFFFAOYSA-N 2 1 373.461 0.137 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174706 1284263151 /nfs/dbraw/zinc/26/31/51/1284263151.db2.gz AFEYSIVBFQDMPI-UONOGXRCSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175410 1284265368 /nfs/dbraw/zinc/26/53/68/1284265368.db2.gz OHKSPARTJVTOSS-UONOGXRCSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175410 1284265374 /nfs/dbraw/zinc/26/53/74/1284265374.db2.gz OHKSPARTJVTOSS-UONOGXRCSA-N 2 1 370.461 0.689 20 0 FCADMP CN(C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)c1cc(C[NH3+])ccn1 ZINC001604637953 1287700589 /nfs/dbraw/zinc/70/05/89/1287700589.db2.gz LSINAEJGZYTXCI-INIZCTEOSA-N 2 1 364.413 0.570 20 0 FCADMP C[N@@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[NH+](C)C1 ZINC001591184812 1284291288 /nfs/dbraw/zinc/29/12/88/1284291288.db2.gz PMHPVOWYDCNYDW-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[N@H+](C)C1 ZINC001591184812 1284291297 /nfs/dbraw/zinc/29/12/97/1284291297.db2.gz PMHPVOWYDCNYDW-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[N@@H+](C)C1 ZINC001591184812 1284291309 /nfs/dbraw/zinc/29/13/09/1284291309.db2.gz PMHPVOWYDCNYDW-GJZGRUSLSA-N 2 1 360.462 0.880 20 0 FCADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186109 1284295404 /nfs/dbraw/zinc/29/54/04/1284295404.db2.gz FGENBDBYKIMDGE-BBWFWOEESA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186109 1284295414 /nfs/dbraw/zinc/29/54/14/1284295414.db2.gz FGENBDBYKIMDGE-BBWFWOEESA-N 2 1 367.457 0.749 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001591215444 1284349097 /nfs/dbraw/zinc/34/90/97/1284349097.db2.gz JSTZQFMBMPECIL-WBMJQRKESA-N 2 1 355.446 0.512 20 0 FCADMP C[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591216557 1284351658 /nfs/dbraw/zinc/35/16/58/1284351658.db2.gz NXXNWICQUKCEBO-UHFFFAOYSA-N 2 1 358.450 0.303 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001702477049 1285690793 /nfs/dbraw/zinc/69/07/93/1285690793.db2.gz FRVGKDSVZZCJPZ-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001702477049 1285690798 /nfs/dbraw/zinc/69/07/98/1285690798.db2.gz FRVGKDSVZZCJPZ-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994817 1285878345 /nfs/dbraw/zinc/87/83/45/1285878345.db2.gz KQMLCPRMWGWXLM-HOCLYGCPSA-N 2 1 367.457 0.844 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037392 1285921799 /nfs/dbraw/zinc/92/17/99/1285921799.db2.gz DIQCOOXLQZKURD-YOEHRIQHSA-N 2 1 369.473 0.947 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707065814 1286436124 /nfs/dbraw/zinc/43/61/24/1286436124.db2.gz KCFLITFTWGOJDR-DMRKSPOLSA-N 2 1 352.523 0.972 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001707128199 1286464060 /nfs/dbraw/zinc/46/40/60/1286464060.db2.gz CMTYTRGMRVAFKR-DLBZAZTESA-N 2 1 360.462 0.834 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001707128199 1286464063 /nfs/dbraw/zinc/46/40/63/1286464063.db2.gz CMTYTRGMRVAFKR-DLBZAZTESA-N 2 1 360.462 0.834 20 0 FCADMP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(NC[C@](C)(O)C[NH+](C)C)c2c1 ZINC001609360134 1289116740 /nfs/dbraw/zinc/11/67/40/1289116740.db2.gz HGOHFJHQMWLVKC-KRWDZBQOSA-N 2 1 357.418 0.570 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001719232363 1287910793 /nfs/dbraw/zinc/91/07/93/1287910793.db2.gz MLEPFUNWTQNDEC-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001605431230 1287959753 /nfs/dbraw/zinc/95/97/53/1287959753.db2.gz BTCVDHMHJLKWHU-BLYZHGLHSA-N 2 1 370.461 0.331 20 0 FCADMP Cc1cc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732816 1288065909 /nfs/dbraw/zinc/06/59/09/1288065909.db2.gz VRISCYYGSFDJOT-ZIAGYGMSSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605737768 1288068690 /nfs/dbraw/zinc/06/86/90/1288068690.db2.gz QPDZNAGRZIHYQZ-CYBMUJFWSA-N 2 1 374.493 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001605987297 1288120894 /nfs/dbraw/zinc/12/08/94/1288120894.db2.gz DOMRWKMYLIMJDQ-WKILWMFISA-N 2 1 366.429 0.809 20 0 FCADMP C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829707 1288429800 /nfs/dbraw/zinc/42/98/00/1288429800.db2.gz XKUFLRSHPNAHMR-CABCVRRESA-N 2 1 359.478 0.744 20 0 FCADMP C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829707 1288429804 /nfs/dbraw/zinc/42/98/04/1288429804.db2.gz XKUFLRSHPNAHMR-CABCVRRESA-N 2 1 359.478 0.744 20 0 FCADMP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001606780686 1288511954 /nfs/dbraw/zinc/51/19/54/1288511954.db2.gz JWYJIUUTKJPXPC-INIZCTEOSA-N 2 1 370.461 0.619 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001607055077 1288625773 /nfs/dbraw/zinc/62/57/73/1288625773.db2.gz UWKLTTKBNMJSHJ-VHDGCEQUSA-N 2 1 355.402 0.234 20 0 FCADMP O=S(=O)(CC[NH2+][C@@H]1CCc2c[nH+]cn2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001607057860 1288626983 /nfs/dbraw/zinc/62/69/83/1288626983.db2.gz PCMOCIDDKUONHH-CYBMUJFWSA-N 2 1 373.442 0.442 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001735885835 1288990451 /nfs/dbraw/zinc/99/04/51/1288990451.db2.gz DNRLZXKWSBYDOY-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001692027675 1289370270 /nfs/dbraw/zinc/37/02/70/1289370270.db2.gz IKPFSSNHPGWWDP-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](OCC)C1 ZINC001692031405 1289372193 /nfs/dbraw/zinc/37/21/93/1289372193.db2.gz AYHGELSPVMVGEF-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001692080358 1289385578 /nfs/dbraw/zinc/38/55/78/1289385578.db2.gz BPBXRCZUUAWSLF-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001692080358 1289385583 /nfs/dbraw/zinc/38/55/83/1289385583.db2.gz BPBXRCZUUAWSLF-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001692080358 1289385586 /nfs/dbraw/zinc/38/55/86/1289385586.db2.gz BPBXRCZUUAWSLF-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692277707 1289441129 /nfs/dbraw/zinc/44/11/29/1289441129.db2.gz OLHKWHYSLPHMMB-XHSDSOJGSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692277707 1289441131 /nfs/dbraw/zinc/44/11/31/1289441131.db2.gz OLHKWHYSLPHMMB-XHSDSOJGSA-N 2 1 360.506 0.998 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001692289506 1289445313 /nfs/dbraw/zinc/44/53/13/1289445313.db2.gz SIVAUSKBJCUWPW-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001698747731 1289534390 /nfs/dbraw/zinc/53/43/90/1289534390.db2.gz HISOFHLHFOCRQO-ZMSDIMECSA-N 2 1 364.490 0.920 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001698960616 1289538926 /nfs/dbraw/zinc/53/89/26/1289538926.db2.gz IGDLOMVYONSYMN-JHJVBQTASA-N 2 1 366.428 0.736 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001699102099 1289546677 /nfs/dbraw/zinc/54/66/77/1289546677.db2.gz HHVJGANSXABLHS-IACUBPJLSA-N 2 1 351.451 0.746 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001699440972 1289555418 /nfs/dbraw/zinc/55/54/18/1289555418.db2.gz IJXBTEUTAVFXIN-QLFBSQMISA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001699440972 1289555426 /nfs/dbraw/zinc/55/54/26/1289555426.db2.gz IJXBTEUTAVFXIN-QLFBSQMISA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001699440972 1289555434 /nfs/dbraw/zinc/55/54/34/1289555434.db2.gz IJXBTEUTAVFXIN-QLFBSQMISA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001699440972 1289555441 /nfs/dbraw/zinc/55/54/41/1289555441.db2.gz IJXBTEUTAVFXIN-QLFBSQMISA-N 2 1 362.540 0.045 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3cccs3)CC2)CC[N@H+]1C ZINC001699651154 1289559472 /nfs/dbraw/zinc/55/94/72/1289559472.db2.gz MAXZBOKUXHRMLH-UKRRQHHQSA-N 2 1 364.515 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H](O)COCC(F)(F)F)CC2)CC[N@H+]1C ZINC001699652335 1289559782 /nfs/dbraw/zinc/55/97/82/1289559782.db2.gz ZXYRHWRPSREEKX-FRRDWIJNSA-N 2 1 367.412 0.505 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001699650610 1289560662 /nfs/dbraw/zinc/56/06/62/1289560662.db2.gz BBUYNEMWWRELJT-HRCADAONSA-N 2 1 366.506 0.250 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001737801816 1289589157 /nfs/dbraw/zinc/58/91/57/1289589157.db2.gz IAWRHUPZPJAQGQ-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001614032853 1289734061 /nfs/dbraw/zinc/73/40/61/1289734061.db2.gz RLCGRYADLIEGPZ-GOSISDBHSA-N 2 1 350.511 0.685 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001702207751 1289870475 /nfs/dbraw/zinc/87/04/75/1289870475.db2.gz HKRYWVIQLKUMHT-IAGOWNOFSA-N 2 1 368.522 0.137 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001619933681 1289969405 /nfs/dbraw/zinc/96/94/05/1289969405.db2.gz HYRDCFSPFIWQEK-SFHVURJKSA-N 2 1 366.510 0.237 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001619933681 1289969410 /nfs/dbraw/zinc/96/94/10/1289969410.db2.gz HYRDCFSPFIWQEK-SFHVURJKSA-N 2 1 366.510 0.237 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001702323284 1290044826 /nfs/dbraw/zinc/04/48/26/1290044826.db2.gz APNVJTJNLUOSGJ-KLHDSHLOSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC001622869599 1290187948 /nfs/dbraw/zinc/18/79/48/1290187948.db2.gz URTRERYMPVJCTH-UHFFFAOYSA-N 2 1 374.489 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001753049628 1290618002 /nfs/dbraw/zinc/61/80/02/1290618002.db2.gz KLBTXQPADANUHB-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001753049628 1290618013 /nfs/dbraw/zinc/61/80/13/1290618013.db2.gz KLBTXQPADANUHB-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1C ZINC001753049628 1290618023 /nfs/dbraw/zinc/61/80/23/1290618023.db2.gz KLBTXQPADANUHB-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1C ZINC001753049628 1290618033 /nfs/dbraw/zinc/61/80/33/1290618033.db2.gz KLBTXQPADANUHB-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)c1nccs1 ZINC001753006697 1290618551 /nfs/dbraw/zinc/61/85/51/1290618551.db2.gz QGRGQIGTDKJPER-MGPQQGTHSA-N 2 1 367.519 0.931 20 0 FCADMP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001631145909 1290716619 /nfs/dbraw/zinc/71/66/19/1290716619.db2.gz KCGLHGPVKOFGNJ-IBGZPJMESA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC001631145909 1290716622 /nfs/dbraw/zinc/71/66/22/1290716622.db2.gz KCGLHGPVKOFGNJ-IBGZPJMESA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001631145909 1290716627 /nfs/dbraw/zinc/71/66/27/1290716627.db2.gz KCGLHGPVKOFGNJ-IBGZPJMESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]32)C1 ZINC001757248007 1290750438 /nfs/dbraw/zinc/75/04/38/1290750438.db2.gz ZHEJBFNJSDEGET-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001757363907 1290761268 /nfs/dbraw/zinc/76/12/68/1290761268.db2.gz QQGZEYDMRJYARX-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001653845142 1291372712 /nfs/dbraw/zinc/37/27/12/1291372712.db2.gz JHVYRNLRLQLEAM-SZVBFZGTSA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601275 1292310994 /nfs/dbraw/zinc/31/09/94/1292310994.db2.gz KOVDAKJQWIMVBQ-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001679601275 1292311002 /nfs/dbraw/zinc/31/10/02/1292311002.db2.gz KOVDAKJQWIMVBQ-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001679601275 1292311010 /nfs/dbraw/zinc/31/10/10/1292311010.db2.gz KOVDAKJQWIMVBQ-HOTGVXAUSA-N 2 1 354.495 0.650 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001688955644 1294551915 /nfs/dbraw/zinc/55/19/15/1294551915.db2.gz XGDJYOJKMZUHJM-KSZLIROESA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001688955644 1294551919 /nfs/dbraw/zinc/55/19/19/1294551919.db2.gz XGDJYOJKMZUHJM-KSZLIROESA-N 2 1 370.497 0.801 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@H+]1CC(=O)N(C)C ZINC001689178686 1294645834 /nfs/dbraw/zinc/64/58/34/1294645834.db2.gz PCMJATWDQUTJJO-JKSUJKDBSA-N 2 1 368.522 0.402 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001689231280 1294688488 /nfs/dbraw/zinc/68/84/88/1294688488.db2.gz CXGWPBSIOGSBPW-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001689231280 1294688498 /nfs/dbraw/zinc/68/84/98/1294688498.db2.gz CXGWPBSIOGSBPW-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001689231280 1294688510 /nfs/dbraw/zinc/68/85/10/1294688510.db2.gz CXGWPBSIOGSBPW-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001689338554 1294762794 /nfs/dbraw/zinc/76/27/94/1294762794.db2.gz XVEXNCLZNJNTDE-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001689721275 1294831718 /nfs/dbraw/zinc/83/17/18/1294831718.db2.gz VJMRQVDXRMJNGX-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001689721275 1294831725 /nfs/dbraw/zinc/83/17/25/1294831725.db2.gz VJMRQVDXRMJNGX-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001690060045 1294853126 /nfs/dbraw/zinc/85/31/26/1294853126.db2.gz FYDWJLDDDVYFKH-SJLPKXTDSA-N 2 1 362.522 0.384 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001691844072 1294939177 /nfs/dbraw/zinc/93/91/77/1294939177.db2.gz GOFYMQJKFBJMOJ-GBESFXJTSA-N 2 1 363.502 0.918 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001691844072 1294939181 /nfs/dbraw/zinc/93/91/81/1294939181.db2.gz GOFYMQJKFBJMOJ-GBESFXJTSA-N 2 1 363.502 0.918 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691844072 1294939193 /nfs/dbraw/zinc/93/91/93/1294939193.db2.gz GOFYMQJKFBJMOJ-GBESFXJTSA-N 2 1 363.502 0.918 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2S(N)(=O)=O)c2c1CC[NH2+]C2 ZINC001164683868 719607623 /nfs/dbraw/zinc/60/76/23/719607623.db2.gz KVCZAZAQUOPBBB-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2S(N)(=O)=O)c2c1CC[NH2+]C2 ZINC001164683868 719607631 /nfs/dbraw/zinc/60/76/31/719607631.db2.gz KVCZAZAQUOPBBB-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ccnc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164681235 719629921 /nfs/dbraw/zinc/62/99/21/719629921.db2.gz DYTIQPRHDKDHQC-UHFFFAOYSA-N 2 1 371.489 0.985 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ccnc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164681235 719629928 /nfs/dbraw/zinc/62/99/28/719629928.db2.gz DYTIQPRHDKDHQC-UHFFFAOYSA-N 2 1 371.489 0.985 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2C[NH2+]C3)CC1 ZINC001164823086 720308619 /nfs/dbraw/zinc/30/86/19/720308619.db2.gz ODYQZCKDEMGCLN-QZTJIDSGSA-N 2 1 370.501 0.991 20 0 FCADMP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739091 720632894 /nfs/dbraw/zinc/63/28/94/720632894.db2.gz DYHDSTZJTBWROL-HOTGVXAUSA-N 2 1 352.442 0.859 20 0 FCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164742298 720641875 /nfs/dbraw/zinc/64/18/75/720641875.db2.gz MOVQJLKBECFHLX-HUUCEWRRSA-N 2 1 353.430 0.254 20 0 FCADMP c1ncc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164746233 720650067 /nfs/dbraw/zinc/65/00/67/720650067.db2.gz WJQHGRDUMBRSQH-KBPBESRZSA-N 2 1 353.430 0.254 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@H]2C1 ZINC001164856644 720892968 /nfs/dbraw/zinc/89/29/68/720892968.db2.gz GDSNEAGJKANCFA-DOTOQJQBSA-N 2 1 361.490 0.645 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164771671 721089808 /nfs/dbraw/zinc/08/98/08/721089808.db2.gz STZVEZRWLSHRNI-DOTOQJQBSA-N 2 1 353.474 0.814 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164771673 721090749 /nfs/dbraw/zinc/09/07/49/721090749.db2.gz STZVEZRWLSHRNI-NVXWUHKLSA-N 2 1 353.474 0.814 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883616 721400047 /nfs/dbraw/zinc/40/00/47/721400047.db2.gz BGAJPIIEHGNGMQ-IEBWSBKVSA-N 2 1 360.506 0.701 20 0 FCADMP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164965224 722067744 /nfs/dbraw/zinc/06/77/44/722067744.db2.gz GIHSBYPLOIKCJD-CALCHBBNSA-N 2 1 358.490 0.528 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958543 837577776 /nfs/dbraw/zinc/57/77/76/837577776.db2.gz JOEXKRPASWWNFZ-LVQVYYBASA-N 2 1 350.467 0.139 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958543 837577791 /nfs/dbraw/zinc/57/77/91/837577791.db2.gz JOEXKRPASWWNFZ-LVQVYYBASA-N 2 1 350.467 0.139 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958543 837577799 /nfs/dbraw/zinc/57/77/99/837577799.db2.gz JOEXKRPASWWNFZ-LVQVYYBASA-N 2 1 350.467 0.139 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958543 837577808 /nfs/dbraw/zinc/57/78/08/837577808.db2.gz JOEXKRPASWWNFZ-LVQVYYBASA-N 2 1 350.467 0.139 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cncs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327209 837646821 /nfs/dbraw/zinc/64/68/21/837646821.db2.gz XUOXGSXBTAZQBF-CFVMTHIKSA-N 2 1 361.475 0.228 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cncs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327209 837646823 /nfs/dbraw/zinc/64/68/23/837646823.db2.gz XUOXGSXBTAZQBF-CFVMTHIKSA-N 2 1 361.475 0.228 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070367451 837649964 /nfs/dbraw/zinc/64/99/64/837649964.db2.gz VSXQUIGDJYKNOS-RYRKJORJSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001070373099 837650453 /nfs/dbraw/zinc/65/04/53/837650453.db2.gz ZELSCBZPSTWVRK-NUJGCVRESA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)CCCO2)CC[N@@H+]1C ZINC001073605652 837778273 /nfs/dbraw/zinc/77/82/73/837778273.db2.gz QBQYJQOSRLIIOQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)CCCO2)CC[N@H+]1C ZINC001073605652 837778278 /nfs/dbraw/zinc/77/82/78/837778278.db2.gz QBQYJQOSRLIIOQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)CCCO2)CC[NH+]1C ZINC001073605652 837778281 /nfs/dbraw/zinc/77/82/81/837778281.db2.gz QBQYJQOSRLIIOQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCCO2)CC[NH+]1C ZINC001073605652 837778284 /nfs/dbraw/zinc/77/82/84/837778284.db2.gz QBQYJQOSRLIIOQ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C2 ZINC001099307409 844015933 /nfs/dbraw/zinc/01/59/33/844015933.db2.gz RWWAVBDEGIEMKY-MRVWCRGKSA-N 2 1 360.380 0.725 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099317607 844018806 /nfs/dbraw/zinc/01/88/06/844018806.db2.gz KACPRCBCIVPVQC-JHJVBQTASA-N 2 1 364.412 0.714 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099317607 844018816 /nfs/dbraw/zinc/01/88/16/844018816.db2.gz KACPRCBCIVPVQC-JHJVBQTASA-N 2 1 364.412 0.714 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001100343371 844051569 /nfs/dbraw/zinc/05/15/69/844051569.db2.gz CRVXAYQURICXTR-IKWCTNDRSA-N 2 1 364.412 0.490 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001100343615 844051621 /nfs/dbraw/zinc/05/16/21/844051621.db2.gz KYCNLSXKYCIYOI-LHUBUQBQSA-N 2 1 350.507 0.727 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243700 844117372 /nfs/dbraw/zinc/11/73/72/844117372.db2.gz ZORCEKQBPHYYIO-OLMMMNRUSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243700 844117377 /nfs/dbraw/zinc/11/73/77/844117377.db2.gz ZORCEKQBPHYYIO-OLMMMNRUSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243700 844117383 /nfs/dbraw/zinc/11/73/83/844117383.db2.gz ZORCEKQBPHYYIO-OLMMMNRUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382760900 836051005 /nfs/dbraw/zinc/05/10/05/836051005.db2.gz WYRAADODAAPUNQ-MRXNPFEDSA-N 2 1 352.504 0.733 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101271281 844127614 /nfs/dbraw/zinc/12/76/14/844127614.db2.gz LLYKZQJBTQMDSH-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101271281 844127618 /nfs/dbraw/zinc/12/76/18/844127618.db2.gz LLYKZQJBTQMDSH-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101271281 844127626 /nfs/dbraw/zinc/12/76/26/844127626.db2.gz LLYKZQJBTQMDSH-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000747652271 836254365 /nfs/dbraw/zinc/25/43/65/836254365.db2.gz JCNHWPDWGCOLJT-CABCVRRESA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000747652271 836254376 /nfs/dbraw/zinc/25/43/76/836254376.db2.gz JCNHWPDWGCOLJT-CABCVRRESA-N 2 1 356.536 0.914 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353275 844156478 /nfs/dbraw/zinc/15/64/78/844156478.db2.gz ZGLXNAVSOKLDNI-MDZRGWNJSA-N 2 1 352.523 0.879 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363491 844159680 /nfs/dbraw/zinc/15/96/80/844159680.db2.gz WEGYHNJNPZVEJE-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363491 844159685 /nfs/dbraw/zinc/15/96/85/844159685.db2.gz WEGYHNJNPZVEJE-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363491 844159688 /nfs/dbraw/zinc/15/96/88/844159688.db2.gz WEGYHNJNPZVEJE-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)C1=O ZINC001101400307 844174606 /nfs/dbraw/zinc/17/46/06/844174606.db2.gz QHJFWTVMRNXWIU-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400314 844175436 /nfs/dbraw/zinc/17/54/36/844175436.db2.gz QKYSQPMPJPWGHD-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431471 844184141 /nfs/dbraw/zinc/18/41/41/844184141.db2.gz PNJRZNDTFUTUQI-AEFFLSMTSA-N 2 1 350.463 0.842 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461443 844193380 /nfs/dbraw/zinc/19/33/80/844193380.db2.gz BPNQYNXNRLPXJA-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621312 836701820 /nfs/dbraw/zinc/70/18/20/836701820.db2.gz SMAKQDLRWNURSO-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621312 836701832 /nfs/dbraw/zinc/70/18/32/836701832.db2.gz SMAKQDLRWNURSO-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621312 836701841 /nfs/dbraw/zinc/70/18/41/836701841.db2.gz SMAKQDLRWNURSO-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001062262951 836730509 /nfs/dbraw/zinc/73/05/09/836730509.db2.gz QTJGGUYVBJMGJI-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)O1 ZINC001062262951 836730514 /nfs/dbraw/zinc/73/05/14/836730514.db2.gz QTJGGUYVBJMGJI-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469150 844196462 /nfs/dbraw/zinc/19/64/62/844196462.db2.gz DGXUBRQGEJSBQO-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469150 844196468 /nfs/dbraw/zinc/19/64/68/844196468.db2.gz DGXUBRQGEJSBQO-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469150 844196475 /nfs/dbraw/zinc/19/64/75/844196475.db2.gz DGXUBRQGEJSBQO-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469150 844196481 /nfs/dbraw/zinc/19/64/81/844196481.db2.gz DGXUBRQGEJSBQO-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161059 837964181 /nfs/dbraw/zinc/96/41/81/837964181.db2.gz FEOQVXWFSIGRLQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161059 837964186 /nfs/dbraw/zinc/96/41/86/837964186.db2.gz FEOQVXWFSIGRLQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161059 837964213 /nfs/dbraw/zinc/96/42/13/837964213.db2.gz FEOQVXWFSIGRLQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001076161059 837964215 /nfs/dbraw/zinc/96/42/15/837964215.db2.gz FEOQVXWFSIGRLQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999358 838205012 /nfs/dbraw/zinc/20/50/12/838205012.db2.gz OLQFAXGKALUCEH-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077108611 838737575 /nfs/dbraw/zinc/73/75/75/838737575.db2.gz LWMDPAKXMLKRDQ-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077108611 838737579 /nfs/dbraw/zinc/73/75/79/838737579.db2.gz LWMDPAKXMLKRDQ-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077108611 838737584 /nfs/dbraw/zinc/73/75/84/838737584.db2.gz LWMDPAKXMLKRDQ-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077108611 838737590 /nfs/dbraw/zinc/73/75/90/838737590.db2.gz LWMDPAKXMLKRDQ-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077129210 838754989 /nfs/dbraw/zinc/75/49/89/838754989.db2.gz ZBQOSRZVMZDCHR-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077129210 838754994 /nfs/dbraw/zinc/75/49/94/838754994.db2.gz ZBQOSRZVMZDCHR-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077129210 838755000 /nfs/dbraw/zinc/75/50/00/838755000.db2.gz ZBQOSRZVMZDCHR-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077129210 838755009 /nfs/dbraw/zinc/75/50/09/838755009.db2.gz ZBQOSRZVMZDCHR-KZNAEPCWSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505167 839003234 /nfs/dbraw/zinc/00/32/34/839003234.db2.gz RCHHEQGPKACEIM-ARFHVFGLSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505167 839003245 /nfs/dbraw/zinc/00/32/45/839003245.db2.gz RCHHEQGPKACEIM-ARFHVFGLSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077571241 839047531 /nfs/dbraw/zinc/04/75/31/839047531.db2.gz JMQBMCKGYSFQCF-ARLBYUKCSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571241 839047542 /nfs/dbraw/zinc/04/75/42/839047542.db2.gz JMQBMCKGYSFQCF-ARLBYUKCSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571241 839047557 /nfs/dbraw/zinc/04/75/57/839047557.db2.gz JMQBMCKGYSFQCF-ARLBYUKCSA-N 2 1 366.531 0.886 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077583626 839053582 /nfs/dbraw/zinc/05/35/82/839053582.db2.gz FEGYRVANFUQNNV-HZPDHXFCSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077583626 839053591 /nfs/dbraw/zinc/05/35/91/839053591.db2.gz FEGYRVANFUQNNV-HZPDHXFCSA-N 2 1 351.447 0.543 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045017 844394923 /nfs/dbraw/zinc/39/49/23/844394923.db2.gz NWZKLASYWNBWBU-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C)[NH+](C)C ZINC001102070509 844403220 /nfs/dbraw/zinc/40/32/20/844403220.db2.gz KMPFPTGRXQWCKY-NUJGCVRESA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077765525 839143975 /nfs/dbraw/zinc/14/39/75/839143975.db2.gz RRANXPDOHLBOAM-ARFHVFGLSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077765525 839143977 /nfs/dbraw/zinc/14/39/77/839143977.db2.gz RRANXPDOHLBOAM-ARFHVFGLSA-N 2 1 350.463 0.737 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079144 844406247 /nfs/dbraw/zinc/40/62/47/844406247.db2.gz XTWLOVZZMRMCSU-BRWVUGGUSA-N 2 1 353.507 0.554 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102088505 844409093 /nfs/dbraw/zinc/40/90/93/844409093.db2.gz YOYBJJKTRQOVFH-RBSFLKMASA-N 2 1 352.479 0.160 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978805 839266271 /nfs/dbraw/zinc/26/62/71/839266271.db2.gz OZIPQXZNBOUONV-KBAYOESNSA-N 2 1 351.491 0.306 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001078006057 839288656 /nfs/dbraw/zinc/28/86/56/839288656.db2.gz QYXXKHZNDOOHGG-NUEKZKHPSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001078006057 839288669 /nfs/dbraw/zinc/28/86/69/839288669.db2.gz QYXXKHZNDOOHGG-NUEKZKHPSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001078006057 839288680 /nfs/dbraw/zinc/28/86/80/839288680.db2.gz QYXXKHZNDOOHGG-NUEKZKHPSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001078006057 839288694 /nfs/dbraw/zinc/28/86/94/839288694.db2.gz QYXXKHZNDOOHGG-NUEKZKHPSA-N 2 1 352.504 0.497 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001078017957 839295453 /nfs/dbraw/zinc/29/54/53/839295453.db2.gz GWVBDWRFGHYPQK-UKRRQHHQSA-N 2 1 354.401 0.968 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176068 839381513 /nfs/dbraw/zinc/38/15/13/839381513.db2.gz ZNUHAMAKRLWKSK-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176068 839381525 /nfs/dbraw/zinc/38/15/25/839381525.db2.gz ZNUHAMAKRLWKSK-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001078176068 839381535 /nfs/dbraw/zinc/38/15/35/839381535.db2.gz ZNUHAMAKRLWKSK-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681485 839573588 /nfs/dbraw/zinc/57/35/88/839573588.db2.gz OMCCNQAWZWICJP-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681485 839573598 /nfs/dbraw/zinc/57/35/98/839573598.db2.gz OMCCNQAWZWICJP-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681485 839573608 /nfs/dbraw/zinc/57/36/08/839573608.db2.gz OMCCNQAWZWICJP-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079681485 839573616 /nfs/dbraw/zinc/57/36/16/839573616.db2.gz OMCCNQAWZWICJP-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700961 839576984 /nfs/dbraw/zinc/57/69/84/839576984.db2.gz QUYGPYCMXRTWMC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700961 839576988 /nfs/dbraw/zinc/57/69/88/839576988.db2.gz QUYGPYCMXRTWMC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700961 839576995 /nfs/dbraw/zinc/57/69/95/839576995.db2.gz QUYGPYCMXRTWMC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700961 839577001 /nfs/dbraw/zinc/57/70/01/839577001.db2.gz QUYGPYCMXRTWMC-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726307 839581736 /nfs/dbraw/zinc/58/17/36/839581736.db2.gz NOJCKJRSHUBMLZ-MUIFIZLQSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726307 839581741 /nfs/dbraw/zinc/58/17/41/839581741.db2.gz NOJCKJRSHUBMLZ-MUIFIZLQSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726307 839581747 /nfs/dbraw/zinc/58/17/47/839581747.db2.gz NOJCKJRSHUBMLZ-MUIFIZLQSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726307 839581754 /nfs/dbraw/zinc/58/17/54/839581754.db2.gz NOJCKJRSHUBMLZ-MUIFIZLQSA-N 2 1 371.547 0.588 20 0 FCADMP CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080194137 839681030 /nfs/dbraw/zinc/68/10/30/839681030.db2.gz SCRLZYAONGSDNF-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080194137 839681038 /nfs/dbraw/zinc/68/10/38/839681038.db2.gz SCRLZYAONGSDNF-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCC[NH+](C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080194137 839681043 /nfs/dbraw/zinc/68/10/43/839681043.db2.gz SCRLZYAONGSDNF-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCC[NH+](C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080194137 839681048 /nfs/dbraw/zinc/68/10/48/839681048.db2.gz SCRLZYAONGSDNF-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317857 839702005 /nfs/dbraw/zinc/70/20/05/839702005.db2.gz DGTVDPTZLYQLFT-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317857 839702014 /nfs/dbraw/zinc/70/20/14/839702014.db2.gz DGTVDPTZLYQLFT-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317857 839702022 /nfs/dbraw/zinc/70/20/22/839702022.db2.gz DGTVDPTZLYQLFT-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317857 839702031 /nfs/dbraw/zinc/70/20/31/839702031.db2.gz DGTVDPTZLYQLFT-NXHRZFHOSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446423 839727068 /nfs/dbraw/zinc/72/70/68/839727068.db2.gz KMTQXTCBVKIMIL-ZMSDIMECSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446423 839727075 /nfs/dbraw/zinc/72/70/75/839727075.db2.gz KMTQXTCBVKIMIL-ZMSDIMECSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446423 839727084 /nfs/dbraw/zinc/72/70/84/839727084.db2.gz KMTQXTCBVKIMIL-ZMSDIMECSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446423 839727093 /nfs/dbraw/zinc/72/70/93/839727093.db2.gz KMTQXTCBVKIMIL-ZMSDIMECSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312887 844465337 /nfs/dbraw/zinc/46/53/37/844465337.db2.gz SRSPNQVEPKXPRX-NVXWUHKLSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320568 844466465 /nfs/dbraw/zinc/46/64/65/844466465.db2.gz IUMRSRARBDOPAJ-MCIONIFRSA-N 2 1 369.428 0.562 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783518 839798879 /nfs/dbraw/zinc/79/88/79/839798879.db2.gz UWMKUCRAAGQYNK-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783518 839798890 /nfs/dbraw/zinc/79/88/90/839798890.db2.gz UWMKUCRAAGQYNK-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783518 839798901 /nfs/dbraw/zinc/79/89/01/839798901.db2.gz UWMKUCRAAGQYNK-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080780920 839799633 /nfs/dbraw/zinc/79/96/33/839799633.db2.gz HFNWGVACOFLUDL-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080780920 839799642 /nfs/dbraw/zinc/79/96/42/839799642.db2.gz HFNWGVACOFLUDL-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080780920 839799650 /nfs/dbraw/zinc/79/96/50/839799650.db2.gz HFNWGVACOFLUDL-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375520 844480002 /nfs/dbraw/zinc/48/00/02/844480002.db2.gz OBHXZFIXQSZYRG-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375520 844480012 /nfs/dbraw/zinc/48/00/12/844480012.db2.gz OBHXZFIXQSZYRG-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375520 844480015 /nfs/dbraw/zinc/48/00/15/844480015.db2.gz OBHXZFIXQSZYRG-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C)[NH+](C)C ZINC001102380247 844480177 /nfs/dbraw/zinc/48/01/77/844480177.db2.gz ATUNWLXEPVVLMS-OAGGEKHMSA-N 2 1 355.527 0.718 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893991 840089614 /nfs/dbraw/zinc/08/96/14/840089614.db2.gz HUDQXUJAMHDETJ-IAGOWNOFSA-N 2 1 351.491 0.857 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137895 840206152 /nfs/dbraw/zinc/20/61/52/840206152.db2.gz GAQGGOMGPCIBQS-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137895 840206166 /nfs/dbraw/zinc/20/61/66/840206166.db2.gz GAQGGOMGPCIBQS-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137895 840206174 /nfs/dbraw/zinc/20/61/74/840206174.db2.gz GAQGGOMGPCIBQS-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102479732 844518868 /nfs/dbraw/zinc/51/88/68/844518868.db2.gz DXZNFZXBFRBHHC-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328345 840312601 /nfs/dbraw/zinc/31/26/01/840312601.db2.gz PAVIFADQTVADIL-GVDBMIGSSA-N 2 1 351.491 0.857 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102497216 844530386 /nfs/dbraw/zinc/53/03/86/844530386.db2.gz HHSIFLPAMYFJOB-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102497216 844530393 /nfs/dbraw/zinc/53/03/93/844530393.db2.gz HHSIFLPAMYFJOB-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102497216 844530403 /nfs/dbraw/zinc/53/04/03/844530403.db2.gz HHSIFLPAMYFJOB-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379056 840369442 /nfs/dbraw/zinc/36/94/42/840369442.db2.gz IAHPQFYPWYKKNR-KFWWJZLASA-N 2 1 361.433 0.568 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379056 840369449 /nfs/dbraw/zinc/36/94/49/840369449.db2.gz IAHPQFYPWYKKNR-KFWWJZLASA-N 2 1 361.433 0.568 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379056 840369455 /nfs/dbraw/zinc/36/94/55/840369455.db2.gz IAHPQFYPWYKKNR-KFWWJZLASA-N 2 1 361.433 0.568 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379056 840369459 /nfs/dbraw/zinc/36/94/59/840369459.db2.gz IAHPQFYPWYKKNR-KFWWJZLASA-N 2 1 361.433 0.568 20 0 FCADMP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459053 840422078 /nfs/dbraw/zinc/42/20/78/840422078.db2.gz JNJLCWJZIDZPRW-BPLDGKMQSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459053 840422084 /nfs/dbraw/zinc/42/20/84/840422084.db2.gz JNJLCWJZIDZPRW-BPLDGKMQSA-N 2 1 352.504 0.761 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511111 844542110 /nfs/dbraw/zinc/54/21/10/844542110.db2.gz JTCKLISMBCXNHC-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1 ZINC001102513206 844544799 /nfs/dbraw/zinc/54/47/99/844544799.db2.gz ABLKVNWXDIXTJA-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1 ZINC001102513206 844544804 /nfs/dbraw/zinc/54/48/04/844544804.db2.gz ABLKVNWXDIXTJA-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515087 844546432 /nfs/dbraw/zinc/54/64/32/844546432.db2.gz CJDQPFSFGKEDIW-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514212 844546453 /nfs/dbraw/zinc/54/64/53/844546453.db2.gz QMRSOEAAEDVKJR-OAGGEKHMSA-N 2 1 350.507 0.810 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514396 844546538 /nfs/dbraw/zinc/54/65/38/844546538.db2.gz WBCWPSZCZYTKCS-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514396 844546542 /nfs/dbraw/zinc/54/65/42/844546542.db2.gz WBCWPSZCZYTKCS-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514396 844546545 /nfs/dbraw/zinc/54/65/45/844546545.db2.gz WBCWPSZCZYTKCS-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001082742413 840542882 /nfs/dbraw/zinc/54/28/82/840542882.db2.gz DUDFCJMQIMDUKZ-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742661 840543445 /nfs/dbraw/zinc/54/34/45/840543445.db2.gz NZUBRVLAYZMSGH-IIAWOOMASA-N 2 1 366.531 0.997 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102525025 844553775 /nfs/dbraw/zinc/55/37/75/844553775.db2.gz IMLGMFGCOKEGAN-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC001082807930 840569732 /nfs/dbraw/zinc/56/97/32/840569732.db2.gz LHCFFEBVTDDZDS-RHSMWYFYSA-N 2 1 350.438 0.880 20 0 FCADMP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1 ZINC001082807681 840570440 /nfs/dbraw/zinc/57/04/40/840570440.db2.gz XGQGCYLAIBQIGZ-AQEOSJORSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102525025 844553765 /nfs/dbraw/zinc/55/37/65/844553765.db2.gz IMLGMFGCOKEGAN-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102525025 844553772 /nfs/dbraw/zinc/55/37/72/844553772.db2.gz IMLGMFGCOKEGAN-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cs1 ZINC001082921023 840602564 /nfs/dbraw/zinc/60/25/64/840602564.db2.gz QZJDDPRDKSOGIN-OSAQELSMSA-N 2 1 365.503 0.990 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cs1 ZINC001082921023 840602581 /nfs/dbraw/zinc/60/25/81/840602581.db2.gz QZJDDPRDKSOGIN-OSAQELSMSA-N 2 1 365.503 0.990 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001082922096 840603625 /nfs/dbraw/zinc/60/36/25/840603625.db2.gz ITGGECLZDRLZEO-VNQPRFMTSA-N 2 1 368.503 0.453 20 0 FCADMP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106582 840715527 /nfs/dbraw/zinc/71/55/27/840715527.db2.gz KYDIVCTUGLQPRO-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106582 840715532 /nfs/dbraw/zinc/71/55/32/840715532.db2.gz KYDIVCTUGLQPRO-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106582 840715537 /nfs/dbraw/zinc/71/55/37/840715537.db2.gz KYDIVCTUGLQPRO-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21)C1CCC1 ZINC001083106582 840715543 /nfs/dbraw/zinc/71/55/43/840715543.db2.gz KYDIVCTUGLQPRO-FGTMMUONSA-N 2 1 351.491 0.951 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577870 844571533 /nfs/dbraw/zinc/57/15/33/844571533.db2.gz AWTZXFGPZUNZHS-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102577870 844571541 /nfs/dbraw/zinc/57/15/41/844571541.db2.gz AWTZXFGPZUNZHS-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102577870 844571547 /nfs/dbraw/zinc/57/15/47/844571547.db2.gz AWTZXFGPZUNZHS-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579738 844574632 /nfs/dbraw/zinc/57/46/32/844574632.db2.gz MWFUWRYDSJHBBA-BZUAXINKSA-N 2 1 357.520 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579514 844574938 /nfs/dbraw/zinc/57/49/38/844574938.db2.gz BELPVQBXSZTEPS-HZPDHXFCSA-N 2 1 371.547 0.591 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]32)CC1 ZINC001083236342 840821458 /nfs/dbraw/zinc/82/14/58/840821458.db2.gz WYMVJAXGNUDQKX-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274954 840856245 /nfs/dbraw/zinc/85/62/45/840856245.db2.gz IIKXXZWUOHIHRG-VNQPRFMTSA-N 2 1 350.488 0.549 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274954 840856253 /nfs/dbraw/zinc/85/62/53/840856253.db2.gz IIKXXZWUOHIHRG-VNQPRFMTSA-N 2 1 350.488 0.549 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274954 840856260 /nfs/dbraw/zinc/85/62/60/840856260.db2.gz IIKXXZWUOHIHRG-VNQPRFMTSA-N 2 1 350.488 0.549 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083274954 840856272 /nfs/dbraw/zinc/85/62/72/840856272.db2.gz IIKXXZWUOHIHRG-VNQPRFMTSA-N 2 1 350.488 0.549 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589586 844583664 /nfs/dbraw/zinc/58/36/64/844583664.db2.gz VCRLIXOAINJAGV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589586 844583665 /nfs/dbraw/zinc/58/36/65/844583665.db2.gz VCRLIXOAINJAGV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589586 844583667 /nfs/dbraw/zinc/58/36/67/844583667.db2.gz VCRLIXOAINJAGV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589586 844583669 /nfs/dbraw/zinc/58/36/69/844583669.db2.gz VCRLIXOAINJAGV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596474 844586910 /nfs/dbraw/zinc/58/69/10/844586910.db2.gz HQWPEESEURWDFH-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600544 844591640 /nfs/dbraw/zinc/59/16/40/844591640.db2.gz JRFPFYOPNCMGLB-OWCLPIDISA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600544 844591643 /nfs/dbraw/zinc/59/16/43/844591643.db2.gz JRFPFYOPNCMGLB-OWCLPIDISA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600544 844591646 /nfs/dbraw/zinc/59/16/46/844591646.db2.gz JRFPFYOPNCMGLB-OWCLPIDISA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102600935 844592495 /nfs/dbraw/zinc/59/24/95/844592495.db2.gz CYALZRWXEXDVBB-CHWSQXEVSA-N 2 1 366.428 0.689 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102600935 844592500 /nfs/dbraw/zinc/59/25/00/844592500.db2.gz CYALZRWXEXDVBB-CHWSQXEVSA-N 2 1 366.428 0.689 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102600935 844592504 /nfs/dbraw/zinc/59/25/04/844592504.db2.gz CYALZRWXEXDVBB-CHWSQXEVSA-N 2 1 366.428 0.689 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001102600935 844592507 /nfs/dbraw/zinc/59/25/07/844592507.db2.gz CYALZRWXEXDVBB-CHWSQXEVSA-N 2 1 366.428 0.689 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083523348 841121471 /nfs/dbraw/zinc/12/14/71/841121471.db2.gz ZPRXWSIMNPIUAZ-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083523348 841121477 /nfs/dbraw/zinc/12/14/77/841121477.db2.gz ZPRXWSIMNPIUAZ-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001083523348 841121482 /nfs/dbraw/zinc/12/14/82/841121482.db2.gz ZPRXWSIMNPIUAZ-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563429 841173386 /nfs/dbraw/zinc/17/33/86/841173386.db2.gz PIOFKTXBYWQMPH-ZACQAIPSSA-N 2 1 351.491 0.593 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083695968 841324860 /nfs/dbraw/zinc/32/48/60/841324860.db2.gz BZXURERKFUKIQI-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749871 841393492 /nfs/dbraw/zinc/39/34/92/841393492.db2.gz VFIHCYANLORGQP-CABCVRRESA-N 2 1 352.504 0.497 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778632 841423737 /nfs/dbraw/zinc/42/37/37/841423737.db2.gz SJCZNMMUZBEJQS-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778632 841423742 /nfs/dbraw/zinc/42/37/42/841423742.db2.gz SJCZNMMUZBEJQS-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778632 841423745 /nfs/dbraw/zinc/42/37/45/841423745.db2.gz SJCZNMMUZBEJQS-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083833318 841478847 /nfs/dbraw/zinc/47/88/47/841478847.db2.gz UVDRMRFIUGIOHG-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083833318 841478851 /nfs/dbraw/zinc/47/88/51/841478851.db2.gz UVDRMRFIUGIOHG-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083833318 841478861 /nfs/dbraw/zinc/47/88/61/841478861.db2.gz UVDRMRFIUGIOHG-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954313 841600909 /nfs/dbraw/zinc/60/09/09/841600909.db2.gz UJBIGFYYBCINGF-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954313 841600914 /nfs/dbraw/zinc/60/09/14/841600914.db2.gz UJBIGFYYBCINGF-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954313 841600919 /nfs/dbraw/zinc/60/09/19/841600919.db2.gz UJBIGFYYBCINGF-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450711 841797641 /nfs/dbraw/zinc/79/76/41/841797641.db2.gz VDFDGVDMXRYXFW-GVDBMIGSSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN([C@@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877984 861241617 /nfs/dbraw/zinc/24/16/17/861241617.db2.gz GEMDJTVFZLFJKE-KXBFYZLASA-N 2 1 351.491 0.999 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881213 861247183 /nfs/dbraw/zinc/24/71/83/861247183.db2.gz XXNYCCQZYDWENQ-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881213 861247197 /nfs/dbraw/zinc/24/71/97/861247197.db2.gz XXNYCCQZYDWENQ-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275881213 861247207 /nfs/dbraw/zinc/24/72/07/861247207.db2.gz XXNYCCQZYDWENQ-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275881213 861247213 /nfs/dbraw/zinc/24/72/13/861247213.db2.gz XXNYCCQZYDWENQ-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944660 841964387 /nfs/dbraw/zinc/96/43/87/841964387.db2.gz DLYVIWAIEFECAL-TWMKSMIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)CC[N@H+]1C ZINC001084944660 841964395 /nfs/dbraw/zinc/96/43/95/841964395.db2.gz DLYVIWAIEFECAL-TWMKSMIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001084944660 841964402 /nfs/dbraw/zinc/96/44/02/841964402.db2.gz DLYVIWAIEFECAL-TWMKSMIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001084944660 841964410 /nfs/dbraw/zinc/96/44/10/841964410.db2.gz DLYVIWAIEFECAL-TWMKSMIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001085252836 842059957 /nfs/dbraw/zinc/05/99/57/842059957.db2.gz JWKFMWPIPVYBGR-MGPQQGTHSA-N 2 1 351.451 0.631 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085424170 842098663 /nfs/dbraw/zinc/09/86/63/842098663.db2.gz AOINMNFJMXOTHS-ARFHVFGLSA-N 2 1 368.503 0.643 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001086090871 842119402 /nfs/dbraw/zinc/11/94/02/842119402.db2.gz VMGCMLBTMOWPMA-WCXIOVBPSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090054 842119559 /nfs/dbraw/zinc/11/95/59/842119559.db2.gz FBJRHIKECXHBOL-OVYGPGRDSA-N 2 1 371.547 0.636 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001086090834 842119640 /nfs/dbraw/zinc/11/96/40/842119640.db2.gz TWFCFYIHJFVNDK-NQNKBUKLSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001086119877 842122354 /nfs/dbraw/zinc/12/23/54/842122354.db2.gz DLZUTBOPJIJCRL-YIYPIFLZSA-N 2 1 369.897 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001086119877 842122364 /nfs/dbraw/zinc/12/23/64/842122364.db2.gz DLZUTBOPJIJCRL-YIYPIFLZSA-N 2 1 369.897 0.777 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120429 842122491 /nfs/dbraw/zinc/12/24/91/842122491.db2.gz YTHKGJPTCGMECU-RJZRQDKASA-N 2 1 368.503 0.855 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120429 842122505 /nfs/dbraw/zinc/12/25/05/842122505.db2.gz YTHKGJPTCGMECU-RJZRQDKASA-N 2 1 368.503 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001086371145 842128677 /nfs/dbraw/zinc/12/86/77/842128677.db2.gz SAUTUFBXTCIJIP-KBUPBQIOSA-N 2 1 352.458 0.572 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086370899 842128790 /nfs/dbraw/zinc/12/87/90/842128790.db2.gz FBJRHIKECXHBOL-ZHCJQAHYSA-N 2 1 371.547 0.636 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001086659307 842143832 /nfs/dbraw/zinc/14/38/32/842143832.db2.gz RKMQSMMCAMRCBH-ZNMIVQPWSA-N 2 1 352.458 0.716 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001086659143 842143916 /nfs/dbraw/zinc/14/39/16/842143916.db2.gz LQKUCSFIYKWORS-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665962 842147638 /nfs/dbraw/zinc/14/76/38/842147638.db2.gz VCYLWXJCDXPASY-BFHYXJOUSA-N 2 1 353.492 0.552 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665962 842147645 /nfs/dbraw/zinc/14/76/45/842147645.db2.gz VCYLWXJCDXPASY-BFHYXJOUSA-N 2 1 353.492 0.552 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001086786102 842173106 /nfs/dbraw/zinc/17/31/06/842173106.db2.gz JQJKTMSRCTWPGG-LUKYLMHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC001086925318 842193264 /nfs/dbraw/zinc/19/32/64/842193264.db2.gz SSBXXZFADITKJL-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087034989 842233064 /nfs/dbraw/zinc/23/30/64/842233064.db2.gz GOXUIIKSDXAXAC-VHDGCEQUSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087062622 842258803 /nfs/dbraw/zinc/25/88/03/842258803.db2.gz ONKHZYBRCOFFMC-RBSFLKMASA-N 2 1 353.467 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087096646 842286324 /nfs/dbraw/zinc/28/63/24/842286324.db2.gz WCWDVDIDFQZUBX-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087096646 842286333 /nfs/dbraw/zinc/28/63/33/842286333.db2.gz WCWDVDIDFQZUBX-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087523369 842345400 /nfs/dbraw/zinc/34/54/00/842345400.db2.gz TZPCWMIPXHEAAG-ZNMIVQPWSA-N 2 1 350.463 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087523369 842345413 /nfs/dbraw/zinc/34/54/13/842345413.db2.gz TZPCWMIPXHEAAG-ZNMIVQPWSA-N 2 1 350.463 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087523369 842345426 /nfs/dbraw/zinc/34/54/26/842345426.db2.gz TZPCWMIPXHEAAG-ZNMIVQPWSA-N 2 1 350.463 0.199 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC(=O)NC ZINC001087790996 842432520 /nfs/dbraw/zinc/43/25/20/842432520.db2.gz QSQMNKVDKYQNMF-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC(=O)NC ZINC001087790996 842432526 /nfs/dbraw/zinc/43/25/26/842432526.db2.gz QSQMNKVDKYQNMF-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001087797120 842434212 /nfs/dbraw/zinc/43/42/12/842434212.db2.gz YWKSGZKZUUMRIR-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087797120 842434217 /nfs/dbraw/zinc/43/42/17/842434217.db2.gz YWKSGZKZUUMRIR-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087797120 842434220 /nfs/dbraw/zinc/43/42/20/842434220.db2.gz YWKSGZKZUUMRIR-HRCADAONSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963734 842480989 /nfs/dbraw/zinc/48/09/89/842480989.db2.gz FPAMUMCKYJHKBG-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963734 842480993 /nfs/dbraw/zinc/48/09/93/842480993.db2.gz FPAMUMCKYJHKBG-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963734 842480997 /nfs/dbraw/zinc/48/09/97/842480997.db2.gz FPAMUMCKYJHKBG-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087963734 842481004 /nfs/dbraw/zinc/48/10/04/842481004.db2.gz FPAMUMCKYJHKBG-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986554 842491325 /nfs/dbraw/zinc/49/13/25/842491325.db2.gz QWCQZMOKLCDQPO-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986554 842491332 /nfs/dbraw/zinc/49/13/32/842491332.db2.gz QWCQZMOKLCDQPO-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986554 842491340 /nfs/dbraw/zinc/49/13/40/842491340.db2.gz QWCQZMOKLCDQPO-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986554 842491345 /nfs/dbraw/zinc/49/13/45/842491345.db2.gz QWCQZMOKLCDQPO-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CC1 ZINC001087993181 842494282 /nfs/dbraw/zinc/49/42/82/842494282.db2.gz DKRDVPWRSVLKFH-OWCLPIDISA-N 2 1 357.520 0.152 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1)C1CC1 ZINC001087993181 842494289 /nfs/dbraw/zinc/49/42/89/842494289.db2.gz DKRDVPWRSVLKFH-OWCLPIDISA-N 2 1 357.520 0.152 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088201283 842557997 /nfs/dbraw/zinc/55/79/97/842557997.db2.gz UQHBOMVGHQYHAH-BBWFWOEESA-N 2 1 369.531 0.297 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211706 842562309 /nfs/dbraw/zinc/56/23/09/842562309.db2.gz VZXPONULYXYIRH-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088981234 842734280 /nfs/dbraw/zinc/73/42/80/842734280.db2.gz JLUVEWGBUXJQRY-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088981234 842734288 /nfs/dbraw/zinc/73/42/88/842734288.db2.gz JLUVEWGBUXJQRY-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088981234 842734294 /nfs/dbraw/zinc/73/42/94/842734294.db2.gz JLUVEWGBUXJQRY-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001089060760 842763664 /nfs/dbraw/zinc/76/36/64/842763664.db2.gz FLINFAOONMVICC-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001089060760 842763669 /nfs/dbraw/zinc/76/36/69/842763669.db2.gz FLINFAOONMVICC-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001089060760 842763673 /nfs/dbraw/zinc/76/36/73/842763673.db2.gz FLINFAOONMVICC-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565709 843042138 /nfs/dbraw/zinc/04/21/38/843042138.db2.gz VYCCMVVHXBOWBA-AYBZRNKSSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565709 843042153 /nfs/dbraw/zinc/04/21/53/843042153.db2.gz VYCCMVVHXBOWBA-AYBZRNKSSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565709 843042161 /nfs/dbraw/zinc/04/21/61/843042161.db2.gz VYCCMVVHXBOWBA-AYBZRNKSSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOC4CCC4)C[C@@]3(C)C2)C1 ZINC001091565709 843042171 /nfs/dbraw/zinc/04/21/71/843042171.db2.gz VYCCMVVHXBOWBA-AYBZRNKSSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091909882 843122416 /nfs/dbraw/zinc/12/24/16/843122416.db2.gz BUCWMTIYOQDEGL-QAPCUYQASA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091909882 843122420 /nfs/dbraw/zinc/12/24/20/843122420.db2.gz BUCWMTIYOQDEGL-QAPCUYQASA-N 2 1 371.547 0.686 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130980 843165144 /nfs/dbraw/zinc/16/51/44/843165144.db2.gz LJRYJADXSINDRS-FCEWJHQRSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092157809 843166053 /nfs/dbraw/zinc/16/60/53/843166053.db2.gz QCZRALOGZCLXCQ-OGWOLHLISA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001092618361 843253032 /nfs/dbraw/zinc/25/30/32/843253032.db2.gz LXWPQCISKKEGIA-TXCZRRACSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)CC[NH+]1C ZINC001092618361 843253041 /nfs/dbraw/zinc/25/30/41/843253041.db2.gz LXWPQCISKKEGIA-TXCZRRACSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)CC[NH+]1C ZINC001092618361 843253052 /nfs/dbraw/zinc/25/30/52/843253052.db2.gz LXWPQCISKKEGIA-TXCZRRACSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001092676154 843275371 /nfs/dbraw/zinc/27/53/71/843275371.db2.gz SMQGXOKABXQKMC-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001092676154 843275383 /nfs/dbraw/zinc/27/53/83/843275383.db2.gz SMQGXOKABXQKMC-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001092676154 843275395 /nfs/dbraw/zinc/27/53/95/843275395.db2.gz SMQGXOKABXQKMC-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724274 843286716 /nfs/dbraw/zinc/28/67/16/843286716.db2.gz JGWSNAFITUQWAR-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724274 843286730 /nfs/dbraw/zinc/28/67/30/843286730.db2.gz JGWSNAFITUQWAR-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724274 843286739 /nfs/dbraw/zinc/28/67/39/843286739.db2.gz JGWSNAFITUQWAR-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724274 843286747 /nfs/dbraw/zinc/28/67/47/843286747.db2.gz JGWSNAFITUQWAR-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309633 861405717 /nfs/dbraw/zinc/40/57/17/861405717.db2.gz YYNILLVZKFQRHG-MJGOQNOKSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211891 843409858 /nfs/dbraw/zinc/40/98/58/843409858.db2.gz GSCBGCQDPHUHFS-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211891 843409866 /nfs/dbraw/zinc/40/98/66/843409866.db2.gz GSCBGCQDPHUHFS-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211891 843409872 /nfs/dbraw/zinc/40/98/72/843409872.db2.gz GSCBGCQDPHUHFS-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2C)C1 ZINC001093211891 843409876 /nfs/dbraw/zinc/40/98/76/843409876.db2.gz GSCBGCQDPHUHFS-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212724 843410756 /nfs/dbraw/zinc/41/07/56/843410756.db2.gz QJLYUIXNHYEFFR-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212724 843410757 /nfs/dbraw/zinc/41/07/57/843410757.db2.gz QJLYUIXNHYEFFR-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212724 843410759 /nfs/dbraw/zinc/41/07/59/843410759.db2.gz QJLYUIXNHYEFFR-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001093212724 843410763 /nfs/dbraw/zinc/41/07/63/843410763.db2.gz QJLYUIXNHYEFFR-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001093459616 843436866 /nfs/dbraw/zinc/43/68/66/843436866.db2.gz VDZAEPIQQKQZFX-XYVMCAHJSA-N 2 1 350.463 0.150 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093672672 843453499 /nfs/dbraw/zinc/45/34/99/843453499.db2.gz ADMYDWHYVWABHV-MGPQQGTHSA-N 2 1 350.467 0.414 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094114201 843518388 /nfs/dbraw/zinc/51/83/88/843518388.db2.gz ZGXDSKQNDMNTCG-UKRRQHHQSA-N 2 1 351.451 0.284 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)C1 ZINC001094234242 843537814 /nfs/dbraw/zinc/53/78/14/843537814.db2.gz WDZVBYQCXHUSIF-KBRIMQKVSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)C1 ZINC001094234242 843537825 /nfs/dbraw/zinc/53/78/25/843537825.db2.gz WDZVBYQCXHUSIF-KBRIMQKVSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001094419092 843551227 /nfs/dbraw/zinc/55/12/27/843551227.db2.gz PFIYVKXKFWPNQJ-YFHUEUNASA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001094419092 843551233 /nfs/dbraw/zinc/55/12/33/843551233.db2.gz PFIYVKXKFWPNQJ-YFHUEUNASA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC001094419092 843551240 /nfs/dbraw/zinc/55/12/40/843551240.db2.gz PFIYVKXKFWPNQJ-YFHUEUNASA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC001094419092 843551249 /nfs/dbraw/zinc/55/12/49/843551249.db2.gz PFIYVKXKFWPNQJ-YFHUEUNASA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC(C)C)C3)C2)CC[N@H+]1C ZINC001094740258 843697351 /nfs/dbraw/zinc/69/73/51/843697351.db2.gz NAXGQSXJCSRPKG-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001096914175 843831343 /nfs/dbraw/zinc/83/13/43/843831343.db2.gz JVLFYCPMCNQFBJ-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001096914175 843831349 /nfs/dbraw/zinc/83/13/49/843831349.db2.gz JVLFYCPMCNQFBJ-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCOCC2)C1 ZINC001096914175 843831360 /nfs/dbraw/zinc/83/13/60/843831360.db2.gz JVLFYCPMCNQFBJ-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCOCC2)C1 ZINC001096914175 843831372 /nfs/dbraw/zinc/83/13/72/843831372.db2.gz JVLFYCPMCNQFBJ-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097694826 843880682 /nfs/dbraw/zinc/88/06/82/843880682.db2.gz GIRAKKBIESNGSN-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097694826 843880690 /nfs/dbraw/zinc/88/06/90/843880690.db2.gz GIRAKKBIESNGSN-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001097694826 843880701 /nfs/dbraw/zinc/88/07/01/843880701.db2.gz GIRAKKBIESNGSN-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001097694826 843880709 /nfs/dbraw/zinc/88/07/09/843880709.db2.gz GIRAKKBIESNGSN-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001097779333 843885055 /nfs/dbraw/zinc/88/50/55/843885055.db2.gz MLZQZHPCKYGOHH-DZUCGIPZSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001097779333 843885061 /nfs/dbraw/zinc/88/50/61/843885061.db2.gz MLZQZHPCKYGOHH-DZUCGIPZSA-N 2 1 369.531 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CCCO)CC3)C2)CC[N@H+]1C ZINC001098603512 843927516 /nfs/dbraw/zinc/92/75/16/843927516.db2.gz PJVHGUJKZIFQDM-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCOCCO)CC[N@H+]1C ZINC001099080174 843960739 /nfs/dbraw/zinc/96/07/39/843960739.db2.gz NJXBWJQKRDLESF-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCOCCO)CC[NH+]1C ZINC001099080174 843960745 /nfs/dbraw/zinc/96/07/45/843960745.db2.gz NJXBWJQKRDLESF-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCOCCO)CC[NH+]1C ZINC001099080174 843960751 /nfs/dbraw/zinc/96/07/51/843960751.db2.gz NJXBWJQKRDLESF-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262270 843995547 /nfs/dbraw/zinc/99/55/47/843995547.db2.gz GEKMELTZIUXWBP-JHJVBQTASA-N 2 1 364.412 0.714 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001099262274 843995910 /nfs/dbraw/zinc/99/59/10/843995910.db2.gz GPCPOJZFIVGREC-IJLUTSLNSA-N 2 1 362.396 0.338 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099265397 843996549 /nfs/dbraw/zinc/99/65/49/843996549.db2.gz GLGSTZJKCYUTMF-QJPTWQEYSA-N 2 1 350.385 0.325 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099265397 843996552 /nfs/dbraw/zinc/99/65/52/843996552.db2.gz GLGSTZJKCYUTMF-QJPTWQEYSA-N 2 1 350.385 0.325 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001103000225 844682329 /nfs/dbraw/zinc/68/23/29/844682329.db2.gz YIFVLVCGILGAQP-HZPDHXFCSA-N 2 1 351.495 0.779 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)CC[N@H+]1C ZINC001103005127 844683669 /nfs/dbraw/zinc/68/36/69/844683669.db2.gz RPGFUTZDFGWSGI-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)CC[NH+]1C ZINC001103005127 844683677 /nfs/dbraw/zinc/68/36/77/844683677.db2.gz RPGFUTZDFGWSGI-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)CC[NH+]1C ZINC001103005127 844683683 /nfs/dbraw/zinc/68/36/83/844683683.db2.gz RPGFUTZDFGWSGI-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085181 844697485 /nfs/dbraw/zinc/69/74/85/844697485.db2.gz JRJJBDWFFIFLLA-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103397 844701804 /nfs/dbraw/zinc/70/18/04/844701804.db2.gz HCJDOFMLLGCBRM-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103397 844701811 /nfs/dbraw/zinc/70/18/11/844701811.db2.gz HCJDOFMLLGCBRM-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103397 844701816 /nfs/dbraw/zinc/70/18/16/844701816.db2.gz HCJDOFMLLGCBRM-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103111695 844702792 /nfs/dbraw/zinc/70/27/92/844702792.db2.gz JJYZOXGXSINBHL-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103111695 844702796 /nfs/dbraw/zinc/70/27/96/844702796.db2.gz JJYZOXGXSINBHL-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398048 844750732 /nfs/dbraw/zinc/75/07/32/844750732.db2.gz ADHOBGLTBKLQDG-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396889 844750906 /nfs/dbraw/zinc/75/09/06/844750906.db2.gz OJZUWBYRZATIHK-HUUCEWRRSA-N 2 1 354.474 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396889 844750911 /nfs/dbraw/zinc/75/09/11/844750911.db2.gz OJZUWBYRZATIHK-HUUCEWRRSA-N 2 1 354.474 0.774 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436117 844756736 /nfs/dbraw/zinc/75/67/36/844756736.db2.gz LFOMPKCRCWNMRM-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436117 844756741 /nfs/dbraw/zinc/75/67/41/844756741.db2.gz LFOMPKCRCWNMRM-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436117 844756749 /nfs/dbraw/zinc/75/67/49/844756749.db2.gz LFOMPKCRCWNMRM-GVDBMIGSSA-N 2 1 350.507 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436381 844757492 /nfs/dbraw/zinc/75/74/92/844757492.db2.gz VWPZVEWTUKWMLK-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436381 844757497 /nfs/dbraw/zinc/75/74/97/844757497.db2.gz VWPZVEWTUKWMLK-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103436381 844757502 /nfs/dbraw/zinc/75/75/02/844757502.db2.gz VWPZVEWTUKWMLK-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438472 844758581 /nfs/dbraw/zinc/75/85/81/844758581.db2.gz KWLHZKYUBFVKLS-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001103438472 844758585 /nfs/dbraw/zinc/75/85/85/844758585.db2.gz KWLHZKYUBFVKLS-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001103438472 844758592 /nfs/dbraw/zinc/75/85/92/844758592.db2.gz KWLHZKYUBFVKLS-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438612 844758860 /nfs/dbraw/zinc/75/88/60/844758860.db2.gz SLSUEDXSBFHMEV-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438612 844758865 /nfs/dbraw/zinc/75/88/65/844758865.db2.gz SLSUEDXSBFHMEV-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438612 844758871 /nfs/dbraw/zinc/75/88/71/844758871.db2.gz SLSUEDXSBFHMEV-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647197 844795142 /nfs/dbraw/zinc/79/51/42/844795142.db2.gz ZDVKIEAQQDWGTE-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001103723471 844807525 /nfs/dbraw/zinc/80/75/25/844807525.db2.gz LECIPVMSJQQCPN-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103755478 844817164 /nfs/dbraw/zinc/81/71/64/844817164.db2.gz ILNNGPCTTWVIFK-RBSFLKMASA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103755478 844817168 /nfs/dbraw/zinc/81/71/68/844817168.db2.gz ILNNGPCTTWVIFK-RBSFLKMASA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103755478 844817172 /nfs/dbraw/zinc/81/71/72/844817172.db2.gz ILNNGPCTTWVIFK-RBSFLKMASA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103755478 844817177 /nfs/dbraw/zinc/81/71/77/844817177.db2.gz ILNNGPCTTWVIFK-RBSFLKMASA-N 2 1 351.499 0.686 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001103999824 844851803 /nfs/dbraw/zinc/85/18/03/844851803.db2.gz LVZGRKYEVALCRD-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC1CC1 ZINC001104033868 844856042 /nfs/dbraw/zinc/85/60/42/844856042.db2.gz JUWQOCKNWPPLTE-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCOCC1CC1 ZINC001104033868 844856044 /nfs/dbraw/zinc/85/60/44/844856044.db2.gz JUWQOCKNWPPLTE-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CCOCCN1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629905 861505505 /nfs/dbraw/zinc/50/55/05/861505505.db2.gz COXBKHMRIFDXER-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629929 861505615 /nfs/dbraw/zinc/50/56/15/861505615.db2.gz FJFRDGYZHYONBP-LPHOPBHVSA-N 2 1 350.507 0.668 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630430 861507026 /nfs/dbraw/zinc/50/70/26/861507026.db2.gz WMOZVABJVQCTFM-IBGZPJMESA-N 3 1 351.539 0.110 20 0 FCADMP CN1CCN(CCC[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276630430 861507040 /nfs/dbraw/zinc/50/70/40/861507040.db2.gz WMOZVABJVQCTFM-IBGZPJMESA-N 2 1 351.539 0.110 20 0 FCADMP CN1CCN(CCC[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276630430 861507056 /nfs/dbraw/zinc/50/70/56/861507056.db2.gz WMOZVABJVQCTFM-IBGZPJMESA-N 2 1 351.539 0.110 20 0 FCADMP CC[C@@H](C)N1C[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630414 861507569 /nfs/dbraw/zinc/50/75/69/861507569.db2.gz TYPCVGFWDWPXLT-MJGOQNOKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104294380 844891508 /nfs/dbraw/zinc/89/15/08/844891508.db2.gz MNPCFZOXEJWVIV-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104676349 844931514 /nfs/dbraw/zinc/93/15/14/844931514.db2.gz GJENVWUENHRWPI-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908520 844958571 /nfs/dbraw/zinc/95/85/71/844958571.db2.gz ZXJUFTDZJGRRSN-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010280 844968873 /nfs/dbraw/zinc/96/88/73/844968873.db2.gz FWCRRDLUSXVIGC-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001105067398 844977379 /nfs/dbraw/zinc/97/73/79/844977379.db2.gz YXSWWMNJJBWZCF-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001105064188 844977405 /nfs/dbraw/zinc/97/74/05/844977405.db2.gz BLSNHTGXLKWNHB-ZIAGYGMSSA-N 2 1 352.483 0.023 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105945405 845065183 /nfs/dbraw/zinc/06/51/83/845065183.db2.gz WRRYTFMWTVUHKJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149416 845115380 /nfs/dbraw/zinc/11/53/80/845115380.db2.gz JRLWHHGVASPGIP-QBPKDAKJSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)CC[N@H+]1C ZINC001106149988 845115473 /nfs/dbraw/zinc/11/54/73/845115473.db2.gz YBKWZMUEQMTCKX-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106249493 845143035 /nfs/dbraw/zinc/14/30/35/845143035.db2.gz JGTRFAWEZTWEPY-RBSFLKMASA-N 2 1 368.503 0.489 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249463 845143225 /nfs/dbraw/zinc/14/32/25/845143225.db2.gz IJYOLCRZBGSBQU-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106321830 845153726 /nfs/dbraw/zinc/15/37/26/845153726.db2.gz FQXTWTAMDABHSI-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106322107 845154278 /nfs/dbraw/zinc/15/42/78/845154278.db2.gz JTVJKBZCQBAIGE-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581764 845200717 /nfs/dbraw/zinc/20/07/17/845200717.db2.gz NSODRGXFSWRRQR-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001106627090 845207870 /nfs/dbraw/zinc/20/78/70/845207870.db2.gz RYGQLHOZACLLFW-ZIAGYGMSSA-N 2 1 351.499 0.564 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)[NH+](CC)CC ZINC001106660109 845216435 /nfs/dbraw/zinc/21/64/35/845216435.db2.gz AXUYRIZEGHAALU-KFWWJZLASA-N 2 1 351.499 0.515 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106664873 845218540 /nfs/dbraw/zinc/21/85/40/845218540.db2.gz BLLKFJCTNLFDPJ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666477 845220487 /nfs/dbraw/zinc/22/04/87/845220487.db2.gz LZLHAJZAHAIGSP-LBTNJELSSA-N 2 1 356.486 0.629 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001106672133 845221201 /nfs/dbraw/zinc/22/12/01/845221201.db2.gz GEUKWUAEVGSEHD-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106765601 845247582 /nfs/dbraw/zinc/24/75/82/845247582.db2.gz KOVMERCTNBRGHO-NVXWUHKLSA-N 2 1 352.479 0.665 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106981437 845300084 /nfs/dbraw/zinc/30/00/84/845300084.db2.gz NYGZOJMQPXMGEE-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106987007 845301708 /nfs/dbraw/zinc/30/17/08/845301708.db2.gz NRBGDFYVPYEOSR-IIAWOOMASA-N 2 1 370.519 0.556 20 0 FCADMP COC[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001276727745 861557327 /nfs/dbraw/zinc/55/73/27/861557327.db2.gz SJUJMTOTSHOZAK-YOEHRIQHSA-N 2 1 350.419 0.033 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2)C1CC1 ZINC001107438829 845373368 /nfs/dbraw/zinc/37/33/68/845373368.db2.gz JSEZOZBBXOSHCT-JFIYKMOQSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2)C1CC1 ZINC001107438829 845373379 /nfs/dbraw/zinc/37/33/79/845373379.db2.gz JSEZOZBBXOSHCT-JFIYKMOQSA-N 2 1 371.547 0.732 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546422 845395275 /nfs/dbraw/zinc/39/52/75/845395275.db2.gz CATHYSUHKHTHNS-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546422 845395282 /nfs/dbraw/zinc/39/52/82/845395282.db2.gz CATHYSUHKHTHNS-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546422 845395292 /nfs/dbraw/zinc/39/52/92/845395292.db2.gz CATHYSUHKHTHNS-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](COCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[NH+]1CCCC1 ZINC001107552661 845396212 /nfs/dbraw/zinc/39/62/12/845396212.db2.gz QLGZOJZHJKKOOV-YQVWRLOYSA-N 2 1 353.507 0.840 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546423 845396625 /nfs/dbraw/zinc/39/66/25/845396625.db2.gz CATHYSUHKHTHNS-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546423 845396638 /nfs/dbraw/zinc/39/66/38/845396638.db2.gz CATHYSUHKHTHNS-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546423 845396651 /nfs/dbraw/zinc/39/66/51/845396651.db2.gz CATHYSUHKHTHNS-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001107609169 845407790 /nfs/dbraw/zinc/40/77/90/845407790.db2.gz GFLGYPODYIAXLW-NVXWUHKLSA-N 2 1 351.451 0.509 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001107609169 845407801 /nfs/dbraw/zinc/40/78/01/845407801.db2.gz GFLGYPODYIAXLW-NVXWUHKLSA-N 2 1 351.451 0.509 20 0 FCADMP CCNC(=O)CN1CC2(CCC1=O)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001276757122 861585826 /nfs/dbraw/zinc/58/58/26/861585826.db2.gz PVCVXTHBXMUBBC-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289738 845616463 /nfs/dbraw/zinc/61/64/63/845616463.db2.gz NHDWUHXTNDHIBR-NCOADZHNSA-N 2 1 353.507 0.980 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289740 845617419 /nfs/dbraw/zinc/61/74/19/845617419.db2.gz NHDWUHXTNDHIBR-QZWWFDLISA-N 2 1 353.507 0.980 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001109444053 845656711 /nfs/dbraw/zinc/65/67/11/845656711.db2.gz QQUCJQUKRHIBOX-QXSJWSMHSA-N 2 1 374.551 0.330 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001109444053 845656719 /nfs/dbraw/zinc/65/67/19/845656719.db2.gz QQUCJQUKRHIBOX-QXSJWSMHSA-N 2 1 374.551 0.330 20 0 FCADMP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001109655405 845705800 /nfs/dbraw/zinc/70/58/00/845705800.db2.gz UKLARLGVSLMWOP-FZKCQIBNSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001109655405 845705806 /nfs/dbraw/zinc/70/58/06/845705806.db2.gz UKLARLGVSLMWOP-FZKCQIBNSA-N 2 1 359.536 0.730 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109673307 845711552 /nfs/dbraw/zinc/71/15/52/845711552.db2.gz HTZMNXOZXIPVKK-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109673307 845711555 /nfs/dbraw/zinc/71/15/55/845711555.db2.gz HTZMNXOZXIPVKK-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110007221 845774394 /nfs/dbraw/zinc/77/43/94/845774394.db2.gz NENDGQCATHRFLZ-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794658 861611243 /nfs/dbraw/zinc/61/12/43/861611243.db2.gz PRIRAFDRWAEUIK-HZPDHXFCSA-N 3 1 354.539 0.515 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110754644 845967464 /nfs/dbraw/zinc/96/74/64/845967464.db2.gz VPWZAWPTKUIXDL-ZJPYXAASSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110754644 845967453 /nfs/dbraw/zinc/96/74/53/845967453.db2.gz VPWZAWPTKUIXDL-ZJPYXAASSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110754644 845967458 /nfs/dbraw/zinc/96/74/58/845967458.db2.gz VPWZAWPTKUIXDL-ZJPYXAASSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110960311 846002152 /nfs/dbraw/zinc/00/21/52/846002152.db2.gz BYUOTJIPSHAGNP-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110960311 846002160 /nfs/dbraw/zinc/00/21/60/846002160.db2.gz BYUOTJIPSHAGNP-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001110981094 846007559 /nfs/dbraw/zinc/00/75/59/846007559.db2.gz IZVHKMNZHKYWND-RQJABVFESA-N 2 1 367.412 0.599 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111171916 846053892 /nfs/dbraw/zinc/05/38/92/846053892.db2.gz ZWCZRHOERBPOTJ-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217288 846065008 /nfs/dbraw/zinc/06/50/08/846065008.db2.gz PSEULOQOTFHLQP-XDNAFOTISA-N 2 1 353.507 0.836 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782670 846203527 /nfs/dbraw/zinc/20/35/27/846203527.db2.gz SQWHGEIOKXJKRZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782670 846203535 /nfs/dbraw/zinc/20/35/35/846203535.db2.gz SQWHGEIOKXJKRZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782670 846203542 /nfs/dbraw/zinc/20/35/42/846203542.db2.gz SQWHGEIOKXJKRZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001111864472 846236114 /nfs/dbraw/zinc/23/61/14/846236114.db2.gz RPEPRWOMGYMCSZ-VYDXJSESSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111870620 846239486 /nfs/dbraw/zinc/23/94/86/846239486.db2.gz GXWJKEQVARKLQN-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111870620 846239497 /nfs/dbraw/zinc/23/94/97/846239497.db2.gz GXWJKEQVARKLQN-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111870620 846239502 /nfs/dbraw/zinc/23/95/02/846239502.db2.gz GXWJKEQVARKLQN-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111870620 846239513 /nfs/dbraw/zinc/23/95/13/846239513.db2.gz GXWJKEQVARKLQN-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870571 846240660 /nfs/dbraw/zinc/24/06/60/846240660.db2.gz DGQNWGKESYJKMJ-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870571 846240667 /nfs/dbraw/zinc/24/06/67/846240667.db2.gz DGQNWGKESYJKMJ-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870571 846240674 /nfs/dbraw/zinc/24/06/74/846240674.db2.gz DGQNWGKESYJKMJ-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870571 846240687 /nfs/dbraw/zinc/24/06/87/846240687.db2.gz DGQNWGKESYJKMJ-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111907721 846256101 /nfs/dbraw/zinc/25/61/01/846256101.db2.gz IUOMIIPIZDMDIV-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111910188 846257587 /nfs/dbraw/zinc/25/75/87/846257587.db2.gz SBCWWMZNYKCDEZ-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938228 846268106 /nfs/dbraw/zinc/26/81/06/846268106.db2.gz RJSNBZBPRFPCPL-YJBOKZPZSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC1CC1)C2 ZINC001111951162 846275106 /nfs/dbraw/zinc/27/51/06/846275106.db2.gz VSPZQHWGAWLSJF-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001111951162 846275114 /nfs/dbraw/zinc/27/51/14/846275114.db2.gz VSPZQHWGAWLSJF-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111951162 846275121 /nfs/dbraw/zinc/27/51/21/846275121.db2.gz VSPZQHWGAWLSJF-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004228 846290791 /nfs/dbraw/zinc/29/07/91/846290791.db2.gz QJHQNIGFAYAKCF-SCTDSRPQSA-N 2 1 353.507 0.840 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112118108 846396955 /nfs/dbraw/zinc/39/69/55/846396955.db2.gz SKXJCDOHDVNLON-WZRBSPASSA-N 2 1 352.401 0.298 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112120383 846398270 /nfs/dbraw/zinc/39/82/70/846398270.db2.gz QNWDIOARSIVULH-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112124825 846402888 /nfs/dbraw/zinc/40/28/88/846402888.db2.gz ZNIMXERVEDOTRI-GRYCIOLGSA-N 2 1 364.412 0.584 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112124825 846402897 /nfs/dbraw/zinc/40/28/97/846402897.db2.gz ZNIMXERVEDOTRI-GRYCIOLGSA-N 2 1 364.412 0.584 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131213 846407110 /nfs/dbraw/zinc/40/71/10/846407110.db2.gz PRFMIHJZMPBYRP-YNEHKIRRSA-N 2 1 364.368 0.178 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154408 846422256 /nfs/dbraw/zinc/42/22/56/846422256.db2.gz KCLIHTDGAONYJL-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155835 846423473 /nfs/dbraw/zinc/42/34/73/846423473.db2.gz MOGPEJPTMNRJNF-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112173612 846434044 /nfs/dbraw/zinc/43/40/44/846434044.db2.gz HDXGLZAJTZMWIO-CHWSQXEVSA-N 2 1 364.412 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194262 846452852 /nfs/dbraw/zinc/45/28/52/846452852.db2.gz VNBFTFKLJKNTFX-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194262 846452857 /nfs/dbraw/zinc/45/28/57/846452857.db2.gz VNBFTFKLJKNTFX-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112205797 846461400 /nfs/dbraw/zinc/46/14/00/846461400.db2.gz AYQOCAZWMLCKLH-YNEHKIRRSA-N 2 1 364.368 0.178 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206086 846463289 /nfs/dbraw/zinc/46/32/89/846463289.db2.gz HBDVSRJQGJVFHN-YNEHKIRRSA-N 2 1 364.412 0.442 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206086 846463293 /nfs/dbraw/zinc/46/32/93/846463293.db2.gz HBDVSRJQGJVFHN-YNEHKIRRSA-N 2 1 364.412 0.442 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112210920 846467460 /nfs/dbraw/zinc/46/74/60/846467460.db2.gz NAEMVGWOWPXVLF-VXGBXAGGSA-N 2 1 350.385 0.327 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112212234 846470077 /nfs/dbraw/zinc/47/00/77/846470077.db2.gz UIHVDVWPNMHZFS-VXGBXAGGSA-N 2 1 352.401 0.394 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112212234 846470080 /nfs/dbraw/zinc/47/00/80/846470080.db2.gz UIHVDVWPNMHZFS-VXGBXAGGSA-N 2 1 352.401 0.394 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112213603 846470099 /nfs/dbraw/zinc/47/00/99/846470099.db2.gz PTGQBRAVTRANNU-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112213603 846470103 /nfs/dbraw/zinc/47/01/03/846470103.db2.gz PTGQBRAVTRANNU-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285031 846487551 /nfs/dbraw/zinc/48/75/51/846487551.db2.gz JGOSHVJPYHELMP-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291443 846490174 /nfs/dbraw/zinc/49/01/74/846490174.db2.gz KUXZMFHTCAIEQY-LNLFQRSKSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291443 846490178 /nfs/dbraw/zinc/49/01/78/846490178.db2.gz KUXZMFHTCAIEQY-LNLFQRSKSA-N 2 1 353.507 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276913472 861683631 /nfs/dbraw/zinc/68/36/31/861683631.db2.gz CSSOZMNZKYMUDO-SFHVURJKSA-N 2 1 352.479 0.258 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112431647 846503936 /nfs/dbraw/zinc/50/39/36/846503936.db2.gz NGHVHIXTNUTULU-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112529710 846516563 /nfs/dbraw/zinc/51/65/63/846516563.db2.gz LQVMFDHYUWPILG-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563520 846525294 /nfs/dbraw/zinc/52/52/94/846525294.db2.gz ZGJXRTMSTGICEW-GJYPPUQNSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112567525 846526159 /nfs/dbraw/zinc/52/61/59/846526159.db2.gz UXBULVLRDQORFI-HKUYNNGSSA-N 2 1 355.523 0.946 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578469 846528831 /nfs/dbraw/zinc/52/88/31/846528831.db2.gz PZIXNUWDTBTYIJ-BXWFABGCSA-N 2 1 350.507 0.635 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578171 846529405 /nfs/dbraw/zinc/52/94/05/846529405.db2.gz BISLYDJHNMTWGZ-AOIWGVFYSA-N 2 1 353.507 0.819 20 0 FCADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCCCNC1=O)[C@H]1CCCCNC1=O ZINC001116414606 846677020 /nfs/dbraw/zinc/67/70/20/846677020.db2.gz QMHDQBNNLDUKDA-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714337 846744207 /nfs/dbraw/zinc/74/42/07/846744207.db2.gz DFQVOZWNOAMQIV-ZIAGYGMSSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001116855288 846786666 /nfs/dbraw/zinc/78/66/66/846786666.db2.gz WBZVMGOGPHSQPT-NUJGCVRESA-N 2 1 352.523 0.578 20 0 FCADMP COCC[N@H+](CCCOc1ccc(F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC001118260783 847351197 /nfs/dbraw/zinc/35/11/97/847351197.db2.gz ILCDFVASDDFXRA-UHFFFAOYSA-N 2 1 353.438 0.975 20 0 FCADMP COCC[N@@H+](CCCOc1ccc(F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC001118260783 847351209 /nfs/dbraw/zinc/35/12/09/847351209.db2.gz ILCDFVASDDFXRA-UHFFFAOYSA-N 2 1 353.438 0.975 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330310 847384920 /nfs/dbraw/zinc/38/49/20/847384920.db2.gz KODPVFCAJWHYDR-FPXQBCRKSA-N 2 1 350.507 0.810 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001277246573 861802872 /nfs/dbraw/zinc/80/28/72/861802872.db2.gz AUHCRUXBAILWPL-OAHLLOKOSA-N 2 1 351.495 0.134 20 0 FCADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC001119374654 847826845 /nfs/dbraw/zinc/82/68/45/847826845.db2.gz BTVJGZGTIAIRLY-ZWKOTPCHSA-N 2 1 353.507 0.711 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001120642580 848260076 /nfs/dbraw/zinc/26/00/76/848260076.db2.gz SAPLLMOHMWRJKR-DLBZAZTESA-N 2 1 353.511 0.163 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCOCCO)C3)CC[N@H+]1C ZINC001121133877 848321573 /nfs/dbraw/zinc/32/15/73/848321573.db2.gz JOILWVDDIKBVKZ-HGWOHTHGSA-N 2 1 353.507 0.743 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001121828573 848399806 /nfs/dbraw/zinc/39/98/06/848399806.db2.gz BGKVSUVEGCDTHZ-HNNXBMFYSA-N 2 1 353.511 0.605 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001121828573 848399813 /nfs/dbraw/zinc/39/98/13/848399813.db2.gz BGKVSUVEGCDTHZ-HNNXBMFYSA-N 2 1 353.511 0.605 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001121828573 848399819 /nfs/dbraw/zinc/39/98/19/848399819.db2.gz BGKVSUVEGCDTHZ-HNNXBMFYSA-N 2 1 353.511 0.605 20 0 FCADMP CC(C)(CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCCCC1 ZINC001123614886 848613593 /nfs/dbraw/zinc/61/35/93/848613593.db2.gz PLDRFMXIKBHYOT-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP CC(C)(CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCCCC1 ZINC001123614886 848613598 /nfs/dbraw/zinc/61/35/98/848613598.db2.gz PLDRFMXIKBHYOT-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[nH]1 ZINC001127571467 848727245 /nfs/dbraw/zinc/72/72/45/848727245.db2.gz SJVPCIPKMARZPH-ZBFHGGJFSA-N 2 1 350.467 0.066 20 0 FCADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccs1 ZINC001127643602 848730764 /nfs/dbraw/zinc/73/07/64/848730764.db2.gz CLKJGRUABOPOOZ-BFHYXJOUSA-N 2 1 352.504 0.971 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C2CC2)C2CC2)CC[N@H+]1C ZINC001127695750 848732987 /nfs/dbraw/zinc/73/29/87/848732987.db2.gz WTVSEOCUWLEGQF-JKSUJKDBSA-N 2 1 350.507 0.727 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128829149 848777096 /nfs/dbraw/zinc/77/70/96/848777096.db2.gz CGNCHGGIFVYXFE-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128829149 848777098 /nfs/dbraw/zinc/77/70/98/848777098.db2.gz CGNCHGGIFVYXFE-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128829149 848777104 /nfs/dbraw/zinc/77/71/04/848777104.db2.gz CGNCHGGIFVYXFE-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128829149 848777107 /nfs/dbraw/zinc/77/71/07/848777107.db2.gz CGNCHGGIFVYXFE-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc(F)c(O)c3)C2)OCC1=O ZINC001277569378 861943154 /nfs/dbraw/zinc/94/31/54/861943154.db2.gz XCMNNTHHYBXNCW-SFHVURJKSA-N 2 1 351.422 0.896 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc(F)c(O)c3)C2)OCC1=O ZINC001277569378 861943164 /nfs/dbraw/zinc/94/31/64/861943164.db2.gz XCMNNTHHYBXNCW-SFHVURJKSA-N 2 1 351.422 0.896 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001129030364 848798146 /nfs/dbraw/zinc/79/81/46/848798146.db2.gz XEZXGIYMPXQPAX-OAGGEKHMSA-N 2 1 354.474 0.956 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129228341 848820279 /nfs/dbraw/zinc/82/02/79/848820279.db2.gz OIIZPRJZKAUSEA-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258311 848823387 /nfs/dbraw/zinc/82/33/87/848823387.db2.gz VYENBHHPZILHRH-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258311 848823392 /nfs/dbraw/zinc/82/33/92/848823392.db2.gz VYENBHHPZILHRH-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1)OC ZINC001129337715 848832319 /nfs/dbraw/zinc/83/23/19/848832319.db2.gz VMAVQVLOECJCJX-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129337751 848833072 /nfs/dbraw/zinc/83/30/72/848833072.db2.gz WMBYLZJCMDFFHB-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433853 848843790 /nfs/dbraw/zinc/84/37/90/848843790.db2.gz WDMDEWGHQNSBNW-XHSDSOJGSA-N 2 1 352.458 0.711 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433853 848843799 /nfs/dbraw/zinc/84/37/99/848843799.db2.gz WDMDEWGHQNSBNW-XHSDSOJGSA-N 2 1 352.458 0.711 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001129433853 848843805 /nfs/dbraw/zinc/84/38/05/848843805.db2.gz WDMDEWGHQNSBNW-XHSDSOJGSA-N 2 1 352.458 0.711 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899943 848910804 /nfs/dbraw/zinc/91/08/04/848910804.db2.gz SUDPQOVYNLPQFV-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130107156 848945891 /nfs/dbraw/zinc/94/58/91/848945891.db2.gz GKVLRGZHIMOUHO-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130107362 848945904 /nfs/dbraw/zinc/94/59/04/848945904.db2.gz MCHGFKNJPHFNPG-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001130216002 848977911 /nfs/dbraw/zinc/97/79/11/848977911.db2.gz LZCWMKMCDJBBKE-STQMWFEESA-N 2 1 350.467 0.387 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130802219 849046717 /nfs/dbraw/zinc/04/67/17/849046717.db2.gz ITYNUXFSIAHUKI-QWHCGFSZSA-N 2 1 356.446 0.542 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131313382 849094674 /nfs/dbraw/zinc/09/46/74/849094674.db2.gz QAQIEVPMJZVWII-OAGGEKHMSA-N 2 1 350.463 0.454 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCF)CC2)C1 ZINC001131461537 849107907 /nfs/dbraw/zinc/10/79/07/849107907.db2.gz PEXYPBKLBQSDDH-IKGGRYGDSA-N 2 1 357.470 0.662 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCF)CC2)C1 ZINC001131461537 849107913 /nfs/dbraw/zinc/10/79/13/849107913.db2.gz PEXYPBKLBQSDDH-IKGGRYGDSA-N 2 1 357.470 0.662 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131593116 849128549 /nfs/dbraw/zinc/12/85/49/849128549.db2.gz MPGBKYHQJDYNIC-SUMDDJOVSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551183 849270937 /nfs/dbraw/zinc/27/09/37/849270937.db2.gz BCDWYGINLIZJTK-BRSBDYLESA-N 2 1 352.523 0.316 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733522 849645896 /nfs/dbraw/zinc/64/58/96/849645896.db2.gz HGTLQXYDHCFTIJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733522 849645899 /nfs/dbraw/zinc/64/58/99/849645899.db2.gz HGTLQXYDHCFTIJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733522 849645902 /nfs/dbraw/zinc/64/59/02/849645902.db2.gz HGTLQXYDHCFTIJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733522 849645904 /nfs/dbraw/zinc/64/59/04/849645904.db2.gz HGTLQXYDHCFTIJ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001151138019 849679070 /nfs/dbraw/zinc/67/90/70/849679070.db2.gz QDDUUWUTZZOIQK-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001151138019 849679072 /nfs/dbraw/zinc/67/90/72/849679072.db2.gz QDDUUWUTZZOIQK-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP CC[N@@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490815 849748974 /nfs/dbraw/zinc/74/89/74/849748974.db2.gz CDDKATCAFQONHF-RBSFLKMASA-N 2 1 352.479 0.302 20 0 FCADMP CC[NH+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153490815 849748981 /nfs/dbraw/zinc/74/89/81/849748981.db2.gz CDDKATCAFQONHF-RBSFLKMASA-N 2 1 352.479 0.302 20 0 FCADMP CC[NH+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153490815 849748987 /nfs/dbraw/zinc/74/89/87/849748987.db2.gz CDDKATCAFQONHF-RBSFLKMASA-N 2 1 352.479 0.302 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001153506975 849749616 /nfs/dbraw/zinc/74/96/16/849749616.db2.gz JGPWTMBENRUROD-QLFBSQMISA-N 2 1 362.540 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCNS(C)(=O)=O)CC[N@H+]1C ZINC001153506975 849749623 /nfs/dbraw/zinc/74/96/23/849749623.db2.gz JGPWTMBENRUROD-QLFBSQMISA-N 2 1 362.540 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCNS(C)(=O)=O)CC[NH+]1C ZINC001153506975 849749627 /nfs/dbraw/zinc/74/96/27/849749627.db2.gz JGPWTMBENRUROD-QLFBSQMISA-N 2 1 362.540 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCNS(C)(=O)=O)CC[NH+]1C ZINC001153506975 849749634 /nfs/dbraw/zinc/74/96/34/849749634.db2.gz JGPWTMBENRUROD-QLFBSQMISA-N 2 1 362.540 0.093 20 0 FCADMP [NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC001158092004 850017948 /nfs/dbraw/zinc/01/79/48/850017948.db2.gz LCPJWYARPPUXIU-DZGCQCFKSA-N 2 1 367.247 0.139 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001158337198 850037112 /nfs/dbraw/zinc/03/71/12/850037112.db2.gz IEUMGYZTNQECRG-UONOGXRCSA-N 2 1 351.451 0.748 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC001158380131 850042619 /nfs/dbraw/zinc/04/26/19/850042619.db2.gz COYMDMUMHQBZMT-TVYUQYBPSA-N 2 1 367.393 0.193 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001158380224 850042652 /nfs/dbraw/zinc/04/26/52/850042652.db2.gz NDCCHKBPHWBNQO-CHWSQXEVSA-N 2 1 353.492 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nc(CCOC)no2)CC[N@@H+]1C ZINC001158397856 850046519 /nfs/dbraw/zinc/04/65/19/850046519.db2.gz RILFBAXAONMFFK-UONOGXRCSA-N 2 1 353.467 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nc(CCOC)no2)CC[N@H+]1C ZINC001158397856 850046525 /nfs/dbraw/zinc/04/65/25/850046525.db2.gz RILFBAXAONMFFK-UONOGXRCSA-N 2 1 353.467 0.585 20 0 FCADMP CC(C)(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160384 850098764 /nfs/dbraw/zinc/09/87/64/850098764.db2.gz JQTLUUMXDNZKMN-GPINWOSQSA-N 2 1 350.507 0.746 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H]2C ZINC001159633033 850124525 /nfs/dbraw/zinc/12/45/25/850124525.db2.gz FIDGQHPJGSCNTD-RZAQHMAJSA-N 2 1 369.535 0.722 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667486 850127949 /nfs/dbraw/zinc/12/79/49/850127949.db2.gz UNWWJXBVSNKQNM-ZNMIVQPWSA-N 2 1 354.401 0.866 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667480 850128393 /nfs/dbraw/zinc/12/83/93/850128393.db2.gz UNWWJXBVSNKQNM-KFWWJZLASA-N 2 1 354.401 0.866 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834257 850139446 /nfs/dbraw/zinc/13/94/46/850139446.db2.gz UGXHLAUSYMSFNX-SOUVJXGZSA-N 3 1 361.515 0.375 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834257 850139447 /nfs/dbraw/zinc/13/94/47/850139447.db2.gz UGXHLAUSYMSFNX-SOUVJXGZSA-N 2 1 361.515 0.375 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159908872 850145139 /nfs/dbraw/zinc/14/51/39/850145139.db2.gz KQQRZTAMPWPNSK-UKTARXLSSA-N 2 1 354.476 0.342 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cn(C)nc2C(F)F)O1 ZINC001160850819 850204664 /nfs/dbraw/zinc/20/46/64/850204664.db2.gz ILOMQWROJQKRHV-DGCLKSJQSA-N 2 1 359.421 0.673 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cn(C)nc2C(F)F)O1 ZINC001160850819 850204669 /nfs/dbraw/zinc/20/46/69/850204669.db2.gz ILOMQWROJQKRHV-DGCLKSJQSA-N 2 1 359.421 0.673 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCCC(C)(C)C)O1 ZINC001160862269 850209398 /nfs/dbraw/zinc/20/93/98/850209398.db2.gz KLJKXDVVYJOUBJ-HUUCEWRRSA-N 2 1 356.511 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCCC(C)(C)C)O1 ZINC001160862269 850209409 /nfs/dbraw/zinc/20/94/09/850209409.db2.gz KLJKXDVVYJOUBJ-HUUCEWRRSA-N 2 1 356.511 0.354 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862625 850209718 /nfs/dbraw/zinc/20/97/18/850209718.db2.gz SFWRDMSWLKAZFH-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862625 850209731 /nfs/dbraw/zinc/20/97/31/850209731.db2.gz SFWRDMSWLKAZFH-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001456 850220733 /nfs/dbraw/zinc/22/07/33/850220733.db2.gz YOJASVMUNHRIJH-WBVHZDCISA-N 3 1 350.507 0.166 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@@H]21 ZINC001161082027 850228512 /nfs/dbraw/zinc/22/85/12/850228512.db2.gz NHIDPCLGQKKFIR-AGIUHOORSA-N 2 1 364.412 0.715 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]2COC[C@H]12 ZINC001168378030 850585546 /nfs/dbraw/zinc/58/55/46/850585546.db2.gz KJCGJBBQHCEVTF-RCCFBDPRSA-N 2 1 351.491 0.665 20 0 FCADMP CCOC(=O)Cn1ccc2c1nc[nH+]c2NCCOCCOCC[NH3+] ZINC001170509146 850656401 /nfs/dbraw/zinc/65/64/01/850656401.db2.gz XTBDZYFYDRFANO-UHFFFAOYSA-N 2 1 351.407 0.398 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485958 850685739 /nfs/dbraw/zinc/68/57/39/850685739.db2.gz GPCWMRPXJUREDS-BZUAXINKSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485958 850685743 /nfs/dbraw/zinc/68/57/43/850685743.db2.gz GPCWMRPXJUREDS-BZUAXINKSA-N 2 1 351.495 0.904 20 0 FCADMP COCCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498351 850686359 /nfs/dbraw/zinc/68/63/59/850686359.db2.gz ABBAXVLADCZNKM-GVDBMIGSSA-N 2 1 359.511 0.633 20 0 FCADMP COCCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498351 850686366 /nfs/dbraw/zinc/68/63/66/850686366.db2.gz ABBAXVLADCZNKM-GVDBMIGSSA-N 2 1 359.511 0.633 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)O1 ZINC001172119056 850704252 /nfs/dbraw/zinc/70/42/52/850704252.db2.gz RXRCSVJKDWNFJB-HVKXIDHRSA-N 2 1 351.491 0.996 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)O1 ZINC001172119056 850704255 /nfs/dbraw/zinc/70/42/55/850704255.db2.gz RXRCSVJKDWNFJB-HVKXIDHRSA-N 2 1 351.491 0.996 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)O1 ZINC001172119056 850704258 /nfs/dbraw/zinc/70/42/58/850704258.db2.gz RXRCSVJKDWNFJB-HVKXIDHRSA-N 2 1 351.491 0.996 20 0 FCADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](C3CC[NH+](CCCOC)CC3)C[C@H]21 ZINC001172251711 850708199 /nfs/dbraw/zinc/70/81/99/850708199.db2.gz VRKPRBOXHWXINI-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCN(CCCOC)CC3)C[C@H]21 ZINC001172251711 850708165 /nfs/dbraw/zinc/70/81/65/850708165.db2.gz VRKPRBOXHWXINI-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CC[NH+](CCCOC)CC3)C[C@H]21 ZINC001172251711 850708174 /nfs/dbraw/zinc/70/81/74/850708174.db2.gz VRKPRBOXHWXINI-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172255771 850709816 /nfs/dbraw/zinc/70/98/16/850709816.db2.gz AAFLMQLYZOTPCW-FXUDXRNXSA-N 2 1 350.415 0.207 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525669 851117928 /nfs/dbraw/zinc/11/79/28/851117928.db2.gz QVJIBGDJABAKBX-YKTARERQSA-N 2 1 352.523 0.925 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3(C)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001181985848 851144829 /nfs/dbraw/zinc/14/48/29/851144829.db2.gz KCPMUNYZWKUWNM-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001182561508 851181699 /nfs/dbraw/zinc/18/16/99/851181699.db2.gz VCZMFPNNYHBANA-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254252 851346339 /nfs/dbraw/zinc/34/63/39/851346339.db2.gz ZQUOJUUWLJDREZ-XHSDSOJGSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001185254252 851346347 /nfs/dbraw/zinc/34/63/47/851346347.db2.gz ZQUOJUUWLJDREZ-XHSDSOJGSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001185254252 851346352 /nfs/dbraw/zinc/34/63/52/851346352.db2.gz ZQUOJUUWLJDREZ-XHSDSOJGSA-N 2 1 363.531 0.812 20 0 FCADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410001 851430246 /nfs/dbraw/zinc/43/02/46/851430246.db2.gz KINGOJWSYGJULJ-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410001 851430256 /nfs/dbraw/zinc/43/02/56/851430256.db2.gz KINGOJWSYGJULJ-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCF)C3(C2)CCOCC3)O1 ZINC001186409714 851430334 /nfs/dbraw/zinc/43/03/34/851430334.db2.gz CPILXMOVSLQQJB-BZUAXINKSA-N 2 1 357.470 0.520 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CCF)C3(C2)CCOCC3)O1 ZINC001186409714 851430341 /nfs/dbraw/zinc/43/03/41/851430341.db2.gz CPILXMOVSLQQJB-BZUAXINKSA-N 2 1 357.470 0.520 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001187971819 851633750 /nfs/dbraw/zinc/63/37/50/851633750.db2.gz YOYQQKVFIHSDCZ-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187971819 851633753 /nfs/dbraw/zinc/63/37/53/851633753.db2.gz YOYQQKVFIHSDCZ-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187971819 851633758 /nfs/dbraw/zinc/63/37/58/851633758.db2.gz YOYQQKVFIHSDCZ-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187971819 851633762 /nfs/dbraw/zinc/63/37/62/851633762.db2.gz YOYQQKVFIHSDCZ-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219319 851660504 /nfs/dbraw/zinc/66/05/04/851660504.db2.gz MBOVMMSMOUKRIB-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219319 851660509 /nfs/dbraw/zinc/66/05/09/851660509.db2.gz MBOVMMSMOUKRIB-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219319 851660511 /nfs/dbraw/zinc/66/05/11/851660511.db2.gz MBOVMMSMOUKRIB-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219319 851660517 /nfs/dbraw/zinc/66/05/17/851660517.db2.gz MBOVMMSMOUKRIB-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246620 851661579 /nfs/dbraw/zinc/66/15/79/851661579.db2.gz LPKFLAZOMBVCFL-GVDBMIGSSA-N 2 1 371.547 0.828 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246620 851661580 /nfs/dbraw/zinc/66/15/80/851661580.db2.gz LPKFLAZOMBVCFL-GVDBMIGSSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246620 851661583 /nfs/dbraw/zinc/66/15/83/851661583.db2.gz LPKFLAZOMBVCFL-GVDBMIGSSA-N 2 1 371.547 0.828 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188246620 851661586 /nfs/dbraw/zinc/66/15/86/851661586.db2.gz LPKFLAZOMBVCFL-GVDBMIGSSA-N 2 1 371.547 0.828 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188971528 851739510 /nfs/dbraw/zinc/73/95/10/851739510.db2.gz VTKNERVSLQKKKL-HRCADAONSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188971528 851739511 /nfs/dbraw/zinc/73/95/11/851739511.db2.gz VTKNERVSLQKKKL-HRCADAONSA-N 2 1 371.547 0.542 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159736 851759572 /nfs/dbraw/zinc/75/95/72/851759572.db2.gz IURSYKOFIUIFSX-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159736 851759583 /nfs/dbraw/zinc/75/95/83/851759583.db2.gz IURSYKOFIUIFSX-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159736 851759593 /nfs/dbraw/zinc/75/95/93/851759593.db2.gz IURSYKOFIUIFSX-ARFHVFGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189484068 851795801 /nfs/dbraw/zinc/79/58/01/851795801.db2.gz AQJVUMOLLRLVFA-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189484068 851795808 /nfs/dbraw/zinc/79/58/08/851795808.db2.gz AQJVUMOLLRLVFA-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189668888 851812591 /nfs/dbraw/zinc/81/25/91/851812591.db2.gz QGMMGDLDSGBJBE-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189668888 851812595 /nfs/dbraw/zinc/81/25/95/851812595.db2.gz QGMMGDLDSGBJBE-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189668888 851812600 /nfs/dbraw/zinc/81/26/00/851812600.db2.gz QGMMGDLDSGBJBE-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001189668888 851812602 /nfs/dbraw/zinc/81/26/02/851812602.db2.gz QGMMGDLDSGBJBE-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787529 851824583 /nfs/dbraw/zinc/82/45/83/851824583.db2.gz PQWHRUWRKLDIRE-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787529 851824584 /nfs/dbraw/zinc/82/45/84/851824584.db2.gz PQWHRUWRKLDIRE-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787529 851824590 /nfs/dbraw/zinc/82/45/90/851824590.db2.gz PQWHRUWRKLDIRE-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787529 851824594 /nfs/dbraw/zinc/82/45/94/851824594.db2.gz PQWHRUWRKLDIRE-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787519 851824962 /nfs/dbraw/zinc/82/49/62/851824962.db2.gz PIWHMTXQKYSQQX-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787519 851824968 /nfs/dbraw/zinc/82/49/68/851824968.db2.gz PIWHMTXQKYSQQX-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189787519 851824979 /nfs/dbraw/zinc/82/49/79/851824979.db2.gz PIWHMTXQKYSQQX-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001189871367 851832496 /nfs/dbraw/zinc/83/24/96/851832496.db2.gz LPESEYLVNXPFFY-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913742 851842253 /nfs/dbraw/zinc/84/22/53/851842253.db2.gz ZGVIDCHROKYJMC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913742 851842264 /nfs/dbraw/zinc/84/22/64/851842264.db2.gz ZGVIDCHROKYJMC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913742 851842272 /nfs/dbraw/zinc/84/22/72/851842272.db2.gz ZGVIDCHROKYJMC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148800 851867194 /nfs/dbraw/zinc/86/71/94/851867194.db2.gz JWQSHXPIEGWFAS-ARFHVFGLSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148800 851867196 /nfs/dbraw/zinc/86/71/96/851867196.db2.gz JWQSHXPIEGWFAS-ARFHVFGLSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148800 851867198 /nfs/dbraw/zinc/86/71/98/851867198.db2.gz JWQSHXPIEGWFAS-ARFHVFGLSA-N 2 1 351.495 0.178 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176793 851870397 /nfs/dbraw/zinc/87/03/97/851870397.db2.gz GIBSYWRCBTVTFQ-OKZBNKHCSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176793 851870406 /nfs/dbraw/zinc/87/04/06/851870406.db2.gz GIBSYWRCBTVTFQ-OKZBNKHCSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178009 851870719 /nfs/dbraw/zinc/87/07/19/851870719.db2.gz UCWCVGWLMRKQGA-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178405 851871138 /nfs/dbraw/zinc/87/11/38/851871138.db2.gz YSEHHISMMDNNCW-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178405 851871148 /nfs/dbraw/zinc/87/11/48/851871148.db2.gz YSEHHISMMDNNCW-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190229717 851880092 /nfs/dbraw/zinc/88/00/92/851880092.db2.gz NBSWIMUVUJVCCF-KURKYZTESA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001190237674 851881201 /nfs/dbraw/zinc/88/12/01/851881201.db2.gz CXMREIWVISXQAD-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001190237674 851881203 /nfs/dbraw/zinc/88/12/03/851881203.db2.gz CXMREIWVISXQAD-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001190237674 851881206 /nfs/dbraw/zinc/88/12/06/851881206.db2.gz CXMREIWVISXQAD-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001190237674 851881209 /nfs/dbraw/zinc/88/12/09/851881209.db2.gz CXMREIWVISXQAD-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001190237674 851881211 /nfs/dbraw/zinc/88/12/11/851881211.db2.gz CXMREIWVISXQAD-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001190239916 851882367 /nfs/dbraw/zinc/88/23/67/851882367.db2.gz XLZBWXUDYRCWNJ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001190239916 851882371 /nfs/dbraw/zinc/88/23/71/851882371.db2.gz XLZBWXUDYRCWNJ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001190239916 851882377 /nfs/dbraw/zinc/88/23/77/851882377.db2.gz XLZBWXUDYRCWNJ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001190239916 851882381 /nfs/dbraw/zinc/88/23/81/851882381.db2.gz XLZBWXUDYRCWNJ-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325505 851891858 /nfs/dbraw/zinc/89/18/58/851891858.db2.gz XQVGHMPXQIJEDX-DLBZAZTESA-N 2 1 371.547 0.830 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325505 851891863 /nfs/dbraw/zinc/89/18/63/851891863.db2.gz XQVGHMPXQIJEDX-DLBZAZTESA-N 2 1 371.547 0.830 20 0 FCADMP COC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278457705 862334511 /nfs/dbraw/zinc/33/45/11/862334511.db2.gz MUSODTQTBOESHX-SFHVURJKSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977733 852329124 /nfs/dbraw/zinc/32/91/24/852329124.db2.gz KDNQDFOARNORNE-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192977733 852329136 /nfs/dbraw/zinc/32/91/36/852329136.db2.gz KDNQDFOARNORNE-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192977733 852329147 /nfs/dbraw/zinc/32/91/47/852329147.db2.gz KDNQDFOARNORNE-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1O ZINC001193456698 852431590 /nfs/dbraw/zinc/43/15/90/852431590.db2.gz XDHHUNFMPUVLQA-BRWVUGGUSA-N 2 1 361.502 0.890 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1O ZINC001193456698 852431591 /nfs/dbraw/zinc/43/15/91/852431591.db2.gz XDHHUNFMPUVLQA-BRWVUGGUSA-N 2 1 361.502 0.890 20 0 FCADMP CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194265659 852569491 /nfs/dbraw/zinc/56/94/91/852569491.db2.gz VGGBKEAWWJGQSB-RBSFLKMASA-N 2 1 356.511 0.183 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001194321085 852578496 /nfs/dbraw/zinc/57/84/96/852578496.db2.gz GSLASHKPWYTCKC-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001194321085 852578500 /nfs/dbraw/zinc/57/85/00/852578500.db2.gz GSLASHKPWYTCKC-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001194321085 852578506 /nfs/dbraw/zinc/57/85/06/852578506.db2.gz GSLASHKPWYTCKC-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001194321085 852578511 /nfs/dbraw/zinc/57/85/11/852578511.db2.gz GSLASHKPWYTCKC-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001194400025 852592622 /nfs/dbraw/zinc/59/26/22/852592622.db2.gz YSBHTQQKNBASOV-ZACQAIPSSA-N 2 1 351.491 0.591 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CO[C@H](C)COC)CC2)CC1 ZINC001195258814 852732566 /nfs/dbraw/zinc/73/25/66/852732566.db2.gz RZIRZDHBDNAZOE-MJGOQNOKSA-N 2 1 357.539 0.891 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548741 852782607 /nfs/dbraw/zinc/78/26/07/852782607.db2.gz HCTHBHIHMFRKMU-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548741 852782613 /nfs/dbraw/zinc/78/26/13/852782613.db2.gz HCTHBHIHMFRKMU-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548741 852782615 /nfs/dbraw/zinc/78/26/15/852782615.db2.gz HCTHBHIHMFRKMU-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2O)C1 ZINC001195548741 852782622 /nfs/dbraw/zinc/78/26/22/852782622.db2.gz HCTHBHIHMFRKMU-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195580800 852790184 /nfs/dbraw/zinc/79/01/84/852790184.db2.gz KDWANEOVNPDIAQ-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195580800 852790185 /nfs/dbraw/zinc/79/01/85/852790185.db2.gz KDWANEOVNPDIAQ-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195580800 852790189 /nfs/dbraw/zinc/79/01/89/852790189.db2.gz KDWANEOVNPDIAQ-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195580800 852790191 /nfs/dbraw/zinc/79/01/91/852790191.db2.gz KDWANEOVNPDIAQ-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581932 852790293 /nfs/dbraw/zinc/79/02/93/852790293.db2.gz XUKIDDCGTPNQFR-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195581932 852790297 /nfs/dbraw/zinc/79/02/97/852790297.db2.gz XUKIDDCGTPNQFR-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195581932 852790302 /nfs/dbraw/zinc/79/03/02/852790302.db2.gz XUKIDDCGTPNQFR-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195708202 852816857 /nfs/dbraw/zinc/81/68/57/852816857.db2.gz HURUSTGFECSWOI-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195708202 852816861 /nfs/dbraw/zinc/81/68/61/852816861.db2.gz HURUSTGFECSWOI-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981240 852860195 /nfs/dbraw/zinc/86/01/95/852860195.db2.gz QIDNSJUXORKFOG-IIAWOOMASA-N 2 1 354.520 0.742 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123997 852895393 /nfs/dbraw/zinc/89/53/93/852895393.db2.gz XWODYMALNPWHKI-IXDOHACOSA-N 2 1 351.495 0.244 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123997 852895404 /nfs/dbraw/zinc/89/54/04/852895404.db2.gz XWODYMALNPWHKI-IXDOHACOSA-N 2 1 351.495 0.244 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207956 852915078 /nfs/dbraw/zinc/91/50/78/852915078.db2.gz WSBQBFDWGZWNFC-GVDBMIGSSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207956 852915082 /nfs/dbraw/zinc/91/50/82/852915082.db2.gz WSBQBFDWGZWNFC-GVDBMIGSSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207956 852915083 /nfs/dbraw/zinc/91/50/83/852915083.db2.gz WSBQBFDWGZWNFC-GVDBMIGSSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCC[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207953 852915359 /nfs/dbraw/zinc/91/53/59/852915359.db2.gz WSBQBFDWGZWNFC-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207953 852915364 /nfs/dbraw/zinc/91/53/64/852915364.db2.gz WSBQBFDWGZWNFC-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O)CC(C)(C)C ZINC001196207953 852915374 /nfs/dbraw/zinc/91/53/74/852915374.db2.gz WSBQBFDWGZWNFC-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001196252228 852924743 /nfs/dbraw/zinc/92/47/43/852924743.db2.gz VTHIOYVBIOBUEQ-IXDOHACOSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)[NH+](C)C ZINC001196252228 852924748 /nfs/dbraw/zinc/92/47/48/852924748.db2.gz VTHIOYVBIOBUEQ-IXDOHACOSA-N 2 1 353.438 0.706 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308195 852935340 /nfs/dbraw/zinc/93/53/40/852935340.db2.gz YCGVKBFQOYVBPS-USXIJHARSA-N 2 1 367.515 0.910 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308195 852935342 /nfs/dbraw/zinc/93/53/42/852935342.db2.gz YCGVKBFQOYVBPS-USXIJHARSA-N 2 1 367.515 0.910 20 0 FCADMP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798814 853015067 /nfs/dbraw/zinc/01/50/67/853015067.db2.gz UTHBPOVSUXOFIP-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920455 853030058 /nfs/dbraw/zinc/03/00/58/853030058.db2.gz YGMPSYLAUOJVCV-IAGOWNOFSA-N 2 1 352.479 0.950 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920455 853030064 /nfs/dbraw/zinc/03/00/64/853030064.db2.gz YGMPSYLAUOJVCV-IAGOWNOFSA-N 2 1 352.479 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001196926262 853031661 /nfs/dbraw/zinc/03/16/61/853031661.db2.gz UPMPTRWAWFJEAL-BRWVUGGUSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001196926262 853031669 /nfs/dbraw/zinc/03/16/69/853031669.db2.gz UPMPTRWAWFJEAL-BRWVUGGUSA-N 2 1 350.463 0.702 20 0 FCADMP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791626 853162132 /nfs/dbraw/zinc/16/21/32/853162132.db2.gz GFTWFTYKVBBCAB-IAOVAPTHSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791626 853162137 /nfs/dbraw/zinc/16/21/37/853162137.db2.gz GFTWFTYKVBBCAB-IAOVAPTHSA-N 2 1 353.438 0.626 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001197954971 853191079 /nfs/dbraw/zinc/19/10/79/853191079.db2.gz IVEXGUPAVHVEQN-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001198729163 853307829 /nfs/dbraw/zinc/30/78/29/853307829.db2.gz DTSWPTGJTRQGQT-KZNAEPCWSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095716 853370192 /nfs/dbraw/zinc/37/01/92/853370192.db2.gz JQJVDIMVTWNAGY-IXDOHACOSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095716 853370195 /nfs/dbraw/zinc/37/01/95/853370195.db2.gz JQJVDIMVTWNAGY-IXDOHACOSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095716 853370202 /nfs/dbraw/zinc/37/02/02/853370202.db2.gz JQJVDIMVTWNAGY-IXDOHACOSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095716 853370210 /nfs/dbraw/zinc/37/02/10/853370210.db2.gz JQJVDIMVTWNAGY-IXDOHACOSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127886 853375204 /nfs/dbraw/zinc/37/52/04/853375204.db2.gz KYGQVFAYHGMCCD-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127886 853375207 /nfs/dbraw/zinc/37/52/07/853375207.db2.gz KYGQVFAYHGMCCD-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546487 853502068 /nfs/dbraw/zinc/50/20/68/853502068.db2.gz DFCUZQBZRJWOML-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP CC(C)COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200643431 853507209 /nfs/dbraw/zinc/50/72/09/853507209.db2.gz CKSSDXRKPMMAMF-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(C)(C)C)CC2)O1 ZINC001201229971 853521083 /nfs/dbraw/zinc/52/10/83/853521083.db2.gz JMHGEZQYTYECFK-UKRRQHHQSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(C)(C)C)CC2)O1 ZINC001201229971 853521088 /nfs/dbraw/zinc/52/10/88/853521088.db2.gz JMHGEZQYTYECFK-UKRRQHHQSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986374 853776947 /nfs/dbraw/zinc/77/69/47/853776947.db2.gz CVFHZYBNVYFIJV-HLLBOEOZSA-N 2 1 351.495 0.656 20 0 FCADMP CC(C)CN1C[C@@]23C[N@@H+](CC4CC[NH+](C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207397449 853809054 /nfs/dbraw/zinc/80/90/54/853809054.db2.gz KLZGCWSUEKZDCS-SQNIBIBYSA-N 2 1 371.547 0.842 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537465 853821198 /nfs/dbraw/zinc/82/11/98/853821198.db2.gz BAYKYWURNMTFQI-BRWVUGGUSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537465 853821199 /nfs/dbraw/zinc/82/11/99/853821199.db2.gz BAYKYWURNMTFQI-BRWVUGGUSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537465 853821201 /nfs/dbraw/zinc/82/12/01/853821201.db2.gz BAYKYWURNMTFQI-BRWVUGGUSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537465 853821203 /nfs/dbraw/zinc/82/12/03/853821203.db2.gz BAYKYWURNMTFQI-BRWVUGGUSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207546944 853824042 /nfs/dbraw/zinc/82/40/42/853824042.db2.gz GHCNVVORBWAMJB-QBIMZIAESA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207546944 853824044 /nfs/dbraw/zinc/82/40/44/853824044.db2.gz GHCNVVORBWAMJB-QBIMZIAESA-N 2 1 350.507 0.632 20 0 FCADMP CC(=O)OCc1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)o1 ZINC001278829795 862505406 /nfs/dbraw/zinc/50/54/06/862505406.db2.gz POKBNKRIFDOGEL-ROUUACIJSA-N 2 1 351.447 0.789 20 0 FCADMP CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)o1 ZINC001278829795 862505414 /nfs/dbraw/zinc/50/54/14/862505414.db2.gz POKBNKRIFDOGEL-ROUUACIJSA-N 2 1 351.447 0.789 20 0 FCADMP CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)o1 ZINC001278829794 862506052 /nfs/dbraw/zinc/50/60/52/862506052.db2.gz POKBNKRIFDOGEL-MSOLQXFVSA-N 2 1 351.447 0.789 20 0 FCADMP CC(=O)OCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)o1 ZINC001278829794 862506068 /nfs/dbraw/zinc/50/60/68/862506068.db2.gz POKBNKRIFDOGEL-MSOLQXFVSA-N 2 1 351.447 0.789 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207757636 853855775 /nfs/dbraw/zinc/85/57/75/853855775.db2.gz HXYPMZJASKNTOF-ZIAGYGMSSA-N 2 1 362.540 0.045 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207757636 853855777 /nfs/dbraw/zinc/85/57/77/853855777.db2.gz HXYPMZJASKNTOF-ZIAGYGMSSA-N 2 1 362.540 0.045 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207757636 853855778 /nfs/dbraw/zinc/85/57/78/853855778.db2.gz HXYPMZJASKNTOF-ZIAGYGMSSA-N 2 1 362.540 0.045 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001207757636 853855781 /nfs/dbraw/zinc/85/57/81/853855781.db2.gz HXYPMZJASKNTOF-ZIAGYGMSSA-N 2 1 362.540 0.045 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070408 853890783 /nfs/dbraw/zinc/89/07/83/853890783.db2.gz LICMBUFKBXZUPA-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001208070158 853890843 /nfs/dbraw/zinc/89/08/43/853890843.db2.gz FJRYTLGVLWYLCE-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001208074371 853892563 /nfs/dbraw/zinc/89/25/63/853892563.db2.gz XKEKOBUZSSJQOY-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447687 853935407 /nfs/dbraw/zinc/93/54/07/853935407.db2.gz LRIJCVHPIRPZAU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485903 853941115 /nfs/dbraw/zinc/94/11/15/853941115.db2.gz VWHBMNHRXJPNTG-GDBMZVCRSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485903 853941119 /nfs/dbraw/zinc/94/11/19/853941119.db2.gz VWHBMNHRXJPNTG-GDBMZVCRSA-N 2 1 371.547 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001209634208 854042669 /nfs/dbraw/zinc/04/26/69/854042669.db2.gz AAKATPQMZVEBAQ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001209634208 854042673 /nfs/dbraw/zinc/04/26/73/854042673.db2.gz AAKATPQMZVEBAQ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001210283605 854095644 /nfs/dbraw/zinc/09/56/44/854095644.db2.gz LASBYJRYQVDBSM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001210283605 854095648 /nfs/dbraw/zinc/09/56/48/854095648.db2.gz LASBYJRYQVDBSM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001210283605 854095653 /nfs/dbraw/zinc/09/56/53/854095653.db2.gz LASBYJRYQVDBSM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001210283605 854095658 /nfs/dbraw/zinc/09/56/58/854095658.db2.gz LASBYJRYQVDBSM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297930 854097207 /nfs/dbraw/zinc/09/72/07/854097207.db2.gz KHHYFLBSNYQRBL-OWCLPIDISA-N 2 1 356.511 0.258 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001210298190 854097569 /nfs/dbraw/zinc/09/75/69/854097569.db2.gz LXOJMCHBPXKEQA-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298915 854098459 /nfs/dbraw/zinc/09/84/59/854098459.db2.gz UETLZEAFYYVNAF-IXDOHACOSA-N 2 1 359.511 0.035 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001210499437 854114548 /nfs/dbraw/zinc/11/45/48/854114548.db2.gz YXVAZUYQBFFOQM-HUUCEWRRSA-N 2 1 352.479 0.304 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001210499437 854114553 /nfs/dbraw/zinc/11/45/53/854114553.db2.gz YXVAZUYQBFFOQM-HUUCEWRRSA-N 2 1 352.479 0.304 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001210499437 854114558 /nfs/dbraw/zinc/11/45/58/854114558.db2.gz YXVAZUYQBFFOQM-HUUCEWRRSA-N 2 1 352.479 0.304 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210528674 854116874 /nfs/dbraw/zinc/11/68/74/854116874.db2.gz BNVPHLMHFBKUBZ-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210528674 854116881 /nfs/dbraw/zinc/11/68/81/854116881.db2.gz BNVPHLMHFBKUBZ-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210528674 854116888 /nfs/dbraw/zinc/11/68/88/854116888.db2.gz BNVPHLMHFBKUBZ-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210528674 854116891 /nfs/dbraw/zinc/11/68/91/854116891.db2.gz BNVPHLMHFBKUBZ-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026258 854147793 /nfs/dbraw/zinc/14/77/93/854147793.db2.gz XUJAERJDXIQUDE-FRRDWIJNSA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211026258 854147797 /nfs/dbraw/zinc/14/77/97/854147797.db2.gz XUJAERJDXIQUDE-FRRDWIJNSA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211026258 854147800 /nfs/dbraw/zinc/14/78/00/854147800.db2.gz XUJAERJDXIQUDE-FRRDWIJNSA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211299919 854175275 /nfs/dbraw/zinc/17/52/75/854175275.db2.gz CGRVCAYLMUXBJL-HLLBOEOZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349119 854179326 /nfs/dbraw/zinc/17/93/26/854179326.db2.gz CMGXRAIAKSWRNA-IXDOHACOSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349119 854179331 /nfs/dbraw/zinc/17/93/31/854179331.db2.gz CMGXRAIAKSWRNA-IXDOHACOSA-N 2 1 371.547 0.734 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369867 854182977 /nfs/dbraw/zinc/18/29/77/854182977.db2.gz RHZHCLBVVIIZSE-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369867 854182981 /nfs/dbraw/zinc/18/29/81/854182981.db2.gz RHZHCLBVVIIZSE-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369867 854182984 /nfs/dbraw/zinc/18/29/84/854182984.db2.gz RHZHCLBVVIIZSE-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369867 854182985 /nfs/dbraw/zinc/18/29/85/854182985.db2.gz RHZHCLBVVIIZSE-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2OC)CC[N@@H+]1C ZINC001212299994 854432591 /nfs/dbraw/zinc/43/25/91/854432591.db2.gz UAURCMMRYBKCHY-GBJTYRQASA-N 2 1 363.449 0.814 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2OC)CC[N@H+]1C ZINC001212299994 854432594 /nfs/dbraw/zinc/43/25/94/854432594.db2.gz UAURCMMRYBKCHY-GBJTYRQASA-N 2 1 363.449 0.814 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2OC)CC[NH+]1C ZINC001212299994 854432598 /nfs/dbraw/zinc/43/25/98/854432598.db2.gz UAURCMMRYBKCHY-GBJTYRQASA-N 2 1 363.449 0.814 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2OC)CC[NH+]1C ZINC001212299994 854432599 /nfs/dbraw/zinc/43/25/99/854432599.db2.gz UAURCMMRYBKCHY-GBJTYRQASA-N 2 1 363.449 0.814 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436711 854478239 /nfs/dbraw/zinc/47/82/39/854478239.db2.gz GJCRDBIRKWIAHD-ZACQAIPSSA-N 2 1 351.495 0.364 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436711 854478241 /nfs/dbraw/zinc/47/82/41/854478241.db2.gz GJCRDBIRKWIAHD-ZACQAIPSSA-N 2 1 351.495 0.364 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461015 854489234 /nfs/dbraw/zinc/48/92/34/854489234.db2.gz OLNKNLQMHLGAAW-ARFHVFGLSA-N 2 1 357.495 0.195 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486977 854499763 /nfs/dbraw/zinc/49/97/63/854499763.db2.gz MJZLSHVXPIHLLS-YNEHKIRRSA-N 2 1 369.428 0.845 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486977 854499764 /nfs/dbraw/zinc/49/97/64/854499764.db2.gz MJZLSHVXPIHLLS-YNEHKIRRSA-N 2 1 369.428 0.845 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486977 854499765 /nfs/dbraw/zinc/49/97/65/854499765.db2.gz MJZLSHVXPIHLLS-YNEHKIRRSA-N 2 1 369.428 0.845 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212486977 854499767 /nfs/dbraw/zinc/49/97/67/854499767.db2.gz MJZLSHVXPIHLLS-YNEHKIRRSA-N 2 1 369.428 0.845 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192336 854527720 /nfs/dbraw/zinc/52/77/20/854527720.db2.gz QBNNTVNBBKDTMZ-CBYDULDESA-N 2 1 351.491 0.855 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192336 854527729 /nfs/dbraw/zinc/52/77/29/854527729.db2.gz QBNNTVNBBKDTMZ-CBYDULDESA-N 2 1 351.491 0.855 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192336 854527734 /nfs/dbraw/zinc/52/77/34/854527734.db2.gz QBNNTVNBBKDTMZ-CBYDULDESA-N 2 1 351.491 0.855 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374585 854593784 /nfs/dbraw/zinc/59/37/84/854593784.db2.gz MUHCOMLBVOZLTF-CHWSQXEVSA-N 2 1 355.401 0.723 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440528 854616889 /nfs/dbraw/zinc/61/68/89/854616889.db2.gz SNPFBJWDQGJXMT-DJIMGWMZSA-N 2 1 350.463 0.606 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440528 854616890 /nfs/dbraw/zinc/61/68/90/854616890.db2.gz SNPFBJWDQGJXMT-DJIMGWMZSA-N 2 1 350.463 0.606 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526208 854652185 /nfs/dbraw/zinc/65/21/85/854652185.db2.gz AJSLYNXLCWXTHY-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213575920 854672539 /nfs/dbraw/zinc/67/25/39/854672539.db2.gz ASAPFNWHGAUBQH-DJIMGWMZSA-N 2 1 352.479 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575920 854672543 /nfs/dbraw/zinc/67/25/43/854672543.db2.gz ASAPFNWHGAUBQH-DJIMGWMZSA-N 2 1 352.479 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581260 854675017 /nfs/dbraw/zinc/67/50/17/854675017.db2.gz SZMMLSCWGDUEJG-GVDBMIGSSA-N 2 1 355.479 0.093 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581260 854675015 /nfs/dbraw/zinc/67/50/15/854675015.db2.gz SZMMLSCWGDUEJG-GVDBMIGSSA-N 2 1 355.479 0.093 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213596922 854679706 /nfs/dbraw/zinc/67/97/06/854679706.db2.gz QNRXZDUOPZSQQM-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213596922 854679707 /nfs/dbraw/zinc/67/97/07/854679707.db2.gz QNRXZDUOPZSQQM-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213598504 854680773 /nfs/dbraw/zinc/68/07/73/854680773.db2.gz HOUFKFVAFBVSPP-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638177 854694633 /nfs/dbraw/zinc/69/46/33/854694633.db2.gz CDQFXRPYOOGZLV-IAGOWNOFSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213678282 854712167 /nfs/dbraw/zinc/71/21/67/854712167.db2.gz MZRFQWLAICFSRB-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213678282 854712176 /nfs/dbraw/zinc/71/21/76/854712176.db2.gz MZRFQWLAICFSRB-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213678282 854712183 /nfs/dbraw/zinc/71/21/83/854712183.db2.gz MZRFQWLAICFSRB-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921931 854825586 /nfs/dbraw/zinc/82/55/86/854825586.db2.gz NTQARIHLGUKMBA-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921931 854825590 /nfs/dbraw/zinc/82/55/90/854825590.db2.gz NTQARIHLGUKMBA-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214335763 854927055 /nfs/dbraw/zinc/92/70/55/854927055.db2.gz IBPQJSHPMPHVHP-RBSFLKMASA-N 2 1 357.520 0.342 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214662206 854987607 /nfs/dbraw/zinc/98/76/07/854987607.db2.gz YSYLXUHKXBPTRD-OWCLPIDISA-N 2 1 352.479 0.842 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663945 854988063 /nfs/dbraw/zinc/98/80/63/854988063.db2.gz GIMQHRBLUPKNBQ-KLHDSHLOSA-N 2 1 353.511 0.471 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001214667867 854989357 /nfs/dbraw/zinc/98/93/57/854989357.db2.gz FNDDFGSIOYMSMB-YYIAUSFCSA-N 2 1 373.563 0.978 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001214665993 854989366 /nfs/dbraw/zinc/98/93/66/854989366.db2.gz OYCLPQJWWOJTTA-XLNGHYISSA-N 2 1 350.507 0.774 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214779880 855012535 /nfs/dbraw/zinc/01/25/35/855012535.db2.gz BXKCNLBDXBGRNN-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845556 855022016 /nfs/dbraw/zinc/02/20/16/855022016.db2.gz ZFWLVSDHXYUGSI-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214850604 855023182 /nfs/dbraw/zinc/02/31/82/855023182.db2.gz YQJGRJPJTQKGST-BRWVUGGUSA-N 2 1 351.495 0.676 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C)C1CC1 ZINC001214968771 855041605 /nfs/dbraw/zinc/04/16/05/855041605.db2.gz BDHNAKQAMFWJAT-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969404 855042364 /nfs/dbraw/zinc/04/23/64/855042364.db2.gz QINARDJHQCEGPP-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215002012 855050842 /nfs/dbraw/zinc/05/08/42/855050842.db2.gz VYJXVILDNQMAOY-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215036280 855056524 /nfs/dbraw/zinc/05/65/24/855056524.db2.gz VEYUCDHDBRYRPD-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184751 855078623 /nfs/dbraw/zinc/07/86/23/855078623.db2.gz RSOGJDRBVSSHSH-LDBBTLTOSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215228460 855085361 /nfs/dbraw/zinc/08/53/61/855085361.db2.gz QHZGYLRLUMPIIZ-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001215416252 855111929 /nfs/dbraw/zinc/11/19/29/855111929.db2.gz RLBWOIQOCCRENF-ZIAGYGMSSA-N 2 1 352.458 0.526 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539915 855125849 /nfs/dbraw/zinc/12/58/49/855125849.db2.gz CLHAHCWXQPRQBH-HBUWYVDXSA-N 2 1 356.486 0.772 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C)C1CC1 ZINC001215539917 855126680 /nfs/dbraw/zinc/12/66/80/855126680.db2.gz COCRPUUGUKJPSO-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnon2)C1)[NH+]1CCCC1 ZINC001215598425 855131691 /nfs/dbraw/zinc/13/16/91/855131691.db2.gz AYSZTUPWEXCTKK-IJEWVQPXSA-N 2 1 351.451 0.507 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930353 855157741 /nfs/dbraw/zinc/15/77/41/855157741.db2.gz ZJLJYTSHWKDVFH-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215973113 855162058 /nfs/dbraw/zinc/16/20/58/855162058.db2.gz RBZSTKSFDCPKMI-ZIAGYGMSSA-N 2 1 355.483 0.130 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216225582 855180265 /nfs/dbraw/zinc/18/02/65/855180265.db2.gz HGXJMYCEHGKMEF-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216225582 855180268 /nfs/dbraw/zinc/18/02/68/855180268.db2.gz HGXJMYCEHGKMEF-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383801 855196553 /nfs/dbraw/zinc/19/65/53/855196553.db2.gz QFCDRSFLUXDDIW-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001216382836 855196767 /nfs/dbraw/zinc/19/67/67/855196767.db2.gz DNYLRNVFFZAACQ-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001216383832 855197776 /nfs/dbraw/zinc/19/77/76/855197776.db2.gz QSKSUNAGVJNACQ-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001216400990 855199389 /nfs/dbraw/zinc/19/93/89/855199389.db2.gz FUKUXKNUZDDNAO-ZIAGYGMSSA-N 2 1 352.483 0.443 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216469832 855205656 /nfs/dbraw/zinc/20/56/56/855205656.db2.gz YPLHANZTXJXAQU-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216511352 855209715 /nfs/dbraw/zinc/20/97/15/855209715.db2.gz OXVWFHBEARPPPO-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216506435 855209840 /nfs/dbraw/zinc/20/98/40/855209840.db2.gz JDJNOIKFADOHIP-CHWSQXEVSA-N 2 1 368.507 0.645 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216511227 855209917 /nfs/dbraw/zinc/20/99/17/855209917.db2.gz NHKJEWLKKANZPY-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001216757678 855233767 /nfs/dbraw/zinc/23/37/67/855233767.db2.gz IKEJGTOMAPPENR-UKRRQHHQSA-N 2 1 350.467 0.336 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001216757648 855233925 /nfs/dbraw/zinc/23/39/25/855233925.db2.gz HMXSRSJJQWKZNZ-UMVBOHGHSA-N 2 1 356.492 0.309 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216851759 855259722 /nfs/dbraw/zinc/25/97/22/855259722.db2.gz HORRHCZCKZNFSG-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557848 855439336 /nfs/dbraw/zinc/43/93/36/855439336.db2.gz LRWOXQBAPRIBIR-OWCLPIDISA-N 2 1 354.495 0.284 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557848 855439343 /nfs/dbraw/zinc/43/93/43/855439343.db2.gz LRWOXQBAPRIBIR-OWCLPIDISA-N 2 1 354.495 0.284 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218600449 855446275 /nfs/dbraw/zinc/44/62/75/855446275.db2.gz JCNPNFWSZNTREN-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001218600449 855446277 /nfs/dbraw/zinc/44/62/77/855446277.db2.gz JCNPNFWSZNTREN-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645654 855457458 /nfs/dbraw/zinc/45/74/58/855457458.db2.gz KYWQKPYBTGTPRA-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645654 855457462 /nfs/dbraw/zinc/45/74/62/855457462.db2.gz KYWQKPYBTGTPRA-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645654 855457466 /nfs/dbraw/zinc/45/74/66/855457466.db2.gz KYWQKPYBTGTPRA-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965661 855504177 /nfs/dbraw/zinc/50/41/77/855504177.db2.gz PGCQRTHSESHXRE-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965661 855504183 /nfs/dbraw/zinc/50/41/83/855504183.db2.gz PGCQRTHSESHXRE-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965661 855504188 /nfs/dbraw/zinc/50/41/88/855504188.db2.gz PGCQRTHSESHXRE-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218965661 855504194 /nfs/dbraw/zinc/50/41/94/855504194.db2.gz PGCQRTHSESHXRE-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219092808 855545281 /nfs/dbraw/zinc/54/52/81/855545281.db2.gz VDSLFUXQWSRFRE-NSHDSACASA-N 2 1 366.422 0.536 20 0 FCADMP CCc1cc(S(C)(=O)=O)ccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219174314 855572983 /nfs/dbraw/zinc/57/29/83/855572983.db2.gz FXKZHDYHESTYCM-HNNXBMFYSA-N 2 1 368.503 0.341 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792627 855815014 /nfs/dbraw/zinc/81/50/14/855815014.db2.gz RWXOEOUCNMMRAL-KFWWJZLASA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792627 855815020 /nfs/dbraw/zinc/81/50/20/855815020.db2.gz RWXOEOUCNMMRAL-KFWWJZLASA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792627 855815026 /nfs/dbraw/zinc/81/50/26/855815026.db2.gz RWXOEOUCNMMRAL-KFWWJZLASA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792627 855815030 /nfs/dbraw/zinc/81/50/30/855815030.db2.gz RWXOEOUCNMMRAL-KFWWJZLASA-N 2 1 363.449 0.407 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219793670 855815126 /nfs/dbraw/zinc/81/51/26/855815126.db2.gz JJQWWXUNVHOQJS-KXBFYZLASA-N 2 1 350.507 0.478 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O ZINC001219796910 855817019 /nfs/dbraw/zinc/81/70/19/855817019.db2.gz WVBVQRCNMQRVLG-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219796910 855817028 /nfs/dbraw/zinc/81/70/28/855817028.db2.gz WVBVQRCNMQRVLG-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219796910 855817036 /nfs/dbraw/zinc/81/70/36/855817036.db2.gz WVBVQRCNMQRVLG-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)C1CCCC1 ZINC001219802504 855820882 /nfs/dbraw/zinc/82/08/82/855820882.db2.gz QXFICGRXOOBYAF-IXDOHACOSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1csc2c1CC[NH2+]C2 ZINC001219810000 855826482 /nfs/dbraw/zinc/82/64/82/855826482.db2.gz YTTDJXBSQLSJNN-UHFFFAOYSA-N 2 1 359.455 0.374 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)s1 ZINC001219812138 855828156 /nfs/dbraw/zinc/82/81/56/855828156.db2.gz OARPXZJMPYEEQV-CABCVRRESA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)s1 ZINC001219812138 855828160 /nfs/dbraw/zinc/82/81/60/855828160.db2.gz OARPXZJMPYEEQV-CABCVRRESA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)s1 ZINC001219812138 855828164 /nfs/dbraw/zinc/82/81/64/855828164.db2.gz OARPXZJMPYEEQV-CABCVRRESA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)s1 ZINC001219812138 855828169 /nfs/dbraw/zinc/82/81/69/855828169.db2.gz OARPXZJMPYEEQV-CABCVRRESA-N 2 1 352.504 0.906 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814250 855829108 /nfs/dbraw/zinc/82/91/08/855829108.db2.gz ZTZSDKMPGRBSHC-KURKYZTESA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814250 855829114 /nfs/dbraw/zinc/82/91/14/855829114.db2.gz ZTZSDKMPGRBSHC-KURKYZTESA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C1CCC1 ZINC001219814250 855829117 /nfs/dbraw/zinc/82/91/17/855829117.db2.gz ZTZSDKMPGRBSHC-KURKYZTESA-N 2 1 353.507 0.573 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219899092 855870431 /nfs/dbraw/zinc/87/04/31/855870431.db2.gz ULYMYNBWWSKTFM-OLZOCXBDSA-N 2 1 369.428 0.847 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219899092 855870434 /nfs/dbraw/zinc/87/04/34/855870434.db2.gz ULYMYNBWWSKTFM-OLZOCXBDSA-N 2 1 369.428 0.847 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219899092 855870438 /nfs/dbraw/zinc/87/04/38/855870438.db2.gz ULYMYNBWWSKTFM-OLZOCXBDSA-N 2 1 369.428 0.847 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216811 856015694 /nfs/dbraw/zinc/01/56/94/856015694.db2.gz ZGYYNNTWFTUOOU-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216811 856015703 /nfs/dbraw/zinc/01/57/03/856015703.db2.gz ZGYYNNTWFTUOOU-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216811 856015716 /nfs/dbraw/zinc/01/57/16/856015716.db2.gz ZGYYNNTWFTUOOU-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216811 856015731 /nfs/dbraw/zinc/01/57/31/856015731.db2.gz ZGYYNNTWFTUOOU-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273282 856039552 /nfs/dbraw/zinc/03/95/52/856039552.db2.gz GJCKNRDGQBRMJS-CABCVRRESA-N 2 1 351.447 0.187 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273282 856039556 /nfs/dbraw/zinc/03/95/56/856039556.db2.gz GJCKNRDGQBRMJS-CABCVRRESA-N 2 1 351.447 0.187 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369922 856089600 /nfs/dbraw/zinc/08/96/00/856089600.db2.gz XZRZXJVQOYPDMI-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369922 856089608 /nfs/dbraw/zinc/08/96/08/856089608.db2.gz XZRZXJVQOYPDMI-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)CC(C)(C)C ZINC001220369922 856089614 /nfs/dbraw/zinc/08/96/14/856089614.db2.gz XZRZXJVQOYPDMI-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387322 856100717 /nfs/dbraw/zinc/10/07/17/856100717.db2.gz HLKJYUVVHFYHTQ-BBWFWOEESA-N 2 1 359.486 0.788 20 0 FCADMP N[C@@H]1C[C@]2(C(=O)N[C@H](C[NH3+])c3ccc(Br)cc3)CC[C@H]1[NH2+]2 ZINC001220607937 856204461 /nfs/dbraw/zinc/20/44/61/856204461.db2.gz QBYPRNMFRYWJPX-BHPKHCPMSA-N 2 1 353.264 0.787 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220681927 856239940 /nfs/dbraw/zinc/23/99/40/856239940.db2.gz ROCLBEQZFCNOAZ-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220681927 856239947 /nfs/dbraw/zinc/23/99/47/856239947.db2.gz ROCLBEQZFCNOAZ-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220681927 856239953 /nfs/dbraw/zinc/23/99/53/856239953.db2.gz ROCLBEQZFCNOAZ-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220681927 856239965 /nfs/dbraw/zinc/23/99/65/856239965.db2.gz ROCLBEQZFCNOAZ-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771255 856291152 /nfs/dbraw/zinc/29/11/52/856291152.db2.gz KPKSWFYHHPDIMM-OLZOCXBDSA-N 2 1 365.396 0.213 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001220826250 856327928 /nfs/dbraw/zinc/32/79/28/856327928.db2.gz UNGLESIAEOHVLM-SJORKVTESA-N 2 1 351.495 0.339 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001220826250 856327934 /nfs/dbraw/zinc/32/79/34/856327934.db2.gz UNGLESIAEOHVLM-SJORKVTESA-N 2 1 351.495 0.339 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1O ZINC001220826250 856327939 /nfs/dbraw/zinc/32/79/39/856327939.db2.gz UNGLESIAEOHVLM-SJORKVTESA-N 2 1 351.495 0.339 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875184 856351444 /nfs/dbraw/zinc/35/14/44/856351444.db2.gz WMEPCLOLHRKJRL-AWEZNQCLSA-N 2 1 363.849 0.239 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221081201 856452895 /nfs/dbraw/zinc/45/28/95/856452895.db2.gz FUNKJSLFLUDCRK-KSZLIROESA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221081436 856453036 /nfs/dbraw/zinc/45/30/36/856453036.db2.gz LSZRSPNMRGPKKN-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091344 856457692 /nfs/dbraw/zinc/45/76/92/856457692.db2.gz KYGQVFAYHGMCCD-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091344 856457700 /nfs/dbraw/zinc/45/77/00/856457700.db2.gz KYGQVFAYHGMCCD-SQNIBIBYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091853 856459531 /nfs/dbraw/zinc/45/95/31/856459531.db2.gz YMAXNAKFLZFAHV-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091853 856459538 /nfs/dbraw/zinc/45/95/38/856459538.db2.gz YMAXNAKFLZFAHV-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130469 856474898 /nfs/dbraw/zinc/47/48/98/856474898.db2.gz TTXCQQYOGHGXJQ-KRWDZBQOSA-N 2 1 351.539 0.413 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)[C@@H]2C1 ZINC001279269098 862803798 /nfs/dbraw/zinc/80/37/98/862803798.db2.gz JXQXRUBAXOFZFA-MWDXBVQZSA-N 2 1 351.491 0.775 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cncs4)CC3)[C@@H]2C1 ZINC001279287068 862813039 /nfs/dbraw/zinc/81/30/39/862813039.db2.gz QGWZORZLKJSMLI-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cncs4)CC3)[C@@H]2C1 ZINC001279287068 862813051 /nfs/dbraw/zinc/81/30/51/862813051.db2.gz QGWZORZLKJSMLI-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cncs4)CC3)[C@@H]2C1 ZINC001279287068 862813069 /nfs/dbraw/zinc/81/30/69/862813069.db2.gz QGWZORZLKJSMLI-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616974 856625321 /nfs/dbraw/zinc/62/53/21/856625321.db2.gz YEXFQBXUHXIJSJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221616974 856625323 /nfs/dbraw/zinc/62/53/23/856625323.db2.gz YEXFQBXUHXIJSJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221616974 856625326 /nfs/dbraw/zinc/62/53/26/856625326.db2.gz YEXFQBXUHXIJSJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221616974 856625331 /nfs/dbraw/zinc/62/53/31/856625331.db2.gz YEXFQBXUHXIJSJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CC4)C[C@H]32)O1 ZINC001221640378 856634647 /nfs/dbraw/zinc/63/46/47/856634647.db2.gz PQPRCODGDPPYAG-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CC4)C[C@H]32)O1 ZINC001221640378 856634650 /nfs/dbraw/zinc/63/46/50/856634650.db2.gz PQPRCODGDPPYAG-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC4CC4)C[C@H]32)O1 ZINC001221640378 856634653 /nfs/dbraw/zinc/63/46/53/856634653.db2.gz PQPRCODGDPPYAG-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC4CC4)C[C@H]32)O1 ZINC001221640378 856634656 /nfs/dbraw/zinc/63/46/56/856634656.db2.gz PQPRCODGDPPYAG-VDHUWJSZSA-N 2 1 351.491 0.665 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715146 856661846 /nfs/dbraw/zinc/66/18/46/856661846.db2.gz DCYURJUBMTZSSQ-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715146 856661853 /nfs/dbraw/zinc/66/18/53/856661853.db2.gz DCYURJUBMTZSSQ-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221762338 856674483 /nfs/dbraw/zinc/67/44/83/856674483.db2.gz YPCZMTZVPTWZCK-KZNAEPCWSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221762338 856674488 /nfs/dbraw/zinc/67/44/88/856674488.db2.gz YPCZMTZVPTWZCK-KZNAEPCWSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221762338 856674494 /nfs/dbraw/zinc/67/44/94/856674494.db2.gz YPCZMTZVPTWZCK-KZNAEPCWSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001221789446 856684134 /nfs/dbraw/zinc/68/41/34/856684134.db2.gz XGYMXURAAHZTLP-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001221789446 856684146 /nfs/dbraw/zinc/68/41/46/856684146.db2.gz XGYMXURAAHZTLP-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001221815927 856697204 /nfs/dbraw/zinc/69/72/04/856697204.db2.gz GRRMUGYWKWKUFI-IXDOHACOSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221883664 856722565 /nfs/dbraw/zinc/72/25/65/856722565.db2.gz PQZDCDJHQXJJIO-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221968709 856752245 /nfs/dbraw/zinc/75/22/45/856752245.db2.gz XCXZUHTWDLQBFH-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221968709 856752252 /nfs/dbraw/zinc/75/22/52/856752252.db2.gz XCXZUHTWDLQBFH-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221968709 856752260 /nfs/dbraw/zinc/75/22/60/856752260.db2.gz XCXZUHTWDLQBFH-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221968709 856752270 /nfs/dbraw/zinc/75/22/70/856752270.db2.gz XCXZUHTWDLQBFH-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018156 856768937 /nfs/dbraw/zinc/76/89/37/856768937.db2.gz PNWJTSGSXBFCDV-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892045 856880467 /nfs/dbraw/zinc/88/04/67/856880467.db2.gz LIPHIGWRGYHEQP-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222922351 856883685 /nfs/dbraw/zinc/88/36/85/856883685.db2.gz WBVFYCLIJLEYMT-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222922351 856883693 /nfs/dbraw/zinc/88/36/93/856883693.db2.gz WBVFYCLIJLEYMT-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222922351 856883699 /nfs/dbraw/zinc/88/36/99/856883699.db2.gz WBVFYCLIJLEYMT-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001223239754 856903905 /nfs/dbraw/zinc/90/39/05/856903905.db2.gz NDTXRBRDCVUFRE-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223679108 856936531 /nfs/dbraw/zinc/93/65/31/856936531.db2.gz ZWXWBYIPTRDGJF-KSZLIROESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223679108 856936534 /nfs/dbraw/zinc/93/65/34/856936534.db2.gz ZWXWBYIPTRDGJF-KSZLIROESA-N 2 1 353.507 0.793 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737575 856939213 /nfs/dbraw/zinc/93/92/13/856939213.db2.gz PANONCIKNRJMCD-KURKYZTESA-N 2 1 353.507 0.648 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912254 856951349 /nfs/dbraw/zinc/95/13/49/856951349.db2.gz PRDRHBIUOSGXEP-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912254 856951351 /nfs/dbraw/zinc/95/13/51/856951351.db2.gz PRDRHBIUOSGXEP-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912254 856951356 /nfs/dbraw/zinc/95/13/56/856951356.db2.gz PRDRHBIUOSGXEP-ZACQAIPSSA-N 2 1 350.507 0.729 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222755 856970186 /nfs/dbraw/zinc/97/01/86/856970186.db2.gz YWOKRMRDGAUTPU-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225526084 857047319 /nfs/dbraw/zinc/04/73/19/857047319.db2.gz WZJVKCLJYMBXQE-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225526084 857047329 /nfs/dbraw/zinc/04/73/29/857047329.db2.gz WZJVKCLJYMBXQE-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001226766235 857124439 /nfs/dbraw/zinc/12/44/39/857124439.db2.gz KFWMAWOZCJFIJE-KZNAEPCWSA-N 2 1 355.523 0.990 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001227083542 857140400 /nfs/dbraw/zinc/14/04/00/857140400.db2.gz UGCGUEZFPRJORK-OAGGEKHMSA-N 2 1 359.536 0.922 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444850 857160496 /nfs/dbraw/zinc/16/04/96/857160496.db2.gz UMXIEELKHHSODG-KBAYOESNSA-N 2 1 355.523 0.941 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001227989131 857187442 /nfs/dbraw/zinc/18/74/42/857187442.db2.gz VFRQYMIMUSVMIP-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001227989131 857187445 /nfs/dbraw/zinc/18/74/45/857187445.db2.gz VFRQYMIMUSVMIP-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001227989131 857187450 /nfs/dbraw/zinc/18/74/50/857187450.db2.gz VFRQYMIMUSVMIP-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215226 857314904 /nfs/dbraw/zinc/31/49/04/857314904.db2.gz JWIAKGUMNZWAGI-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215226 857314911 /nfs/dbraw/zinc/31/49/11/857314911.db2.gz JWIAKGUMNZWAGI-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@H]2C1 ZINC001279467135 862897241 /nfs/dbraw/zinc/89/72/41/862897241.db2.gz IQKCSQOKRDSPMN-IKGGRYGDSA-N 2 1 350.507 0.239 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001230284521 857322517 /nfs/dbraw/zinc/32/25/17/857322517.db2.gz JGUJEXOTSVQUSB-CHWSQXEVSA-N 2 1 368.507 0.834 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230274583 857322893 /nfs/dbraw/zinc/32/28/93/857322893.db2.gz AOOYOTLJZWOZAE-MGPQQGTHSA-N 2 1 355.483 0.188 20 0 FCADMP Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770209 857365588 /nfs/dbraw/zinc/36/55/88/857365588.db2.gz RUKYLCSFBIQTJH-OKILXGFUSA-N 2 1 360.483 0.709 20 0 FCADMP Cn1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770209 857365597 /nfs/dbraw/zinc/36/55/97/857365597.db2.gz RUKYLCSFBIQTJH-OKILXGFUSA-N 2 1 360.483 0.709 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770209 857365603 /nfs/dbraw/zinc/36/56/03/857365603.db2.gz RUKYLCSFBIQTJH-OKILXGFUSA-N 2 1 360.483 0.709 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770209 857365614 /nfs/dbraw/zinc/36/56/14/857365614.db2.gz RUKYLCSFBIQTJH-OKILXGFUSA-N 2 1 360.483 0.709 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770209 857365619 /nfs/dbraw/zinc/36/56/19/857365619.db2.gz RUKYLCSFBIQTJH-OKILXGFUSA-N 2 1 360.483 0.709 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770209 857365626 /nfs/dbraw/zinc/36/56/26/857365626.db2.gz RUKYLCSFBIQTJH-OKILXGFUSA-N 2 1 360.483 0.709 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770210 857366255 /nfs/dbraw/zinc/36/62/55/857366255.db2.gz RUKYLCSFBIQTJH-ZIAGYGMSSA-N 2 1 360.483 0.709 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401495 857404379 /nfs/dbraw/zinc/40/43/79/857404379.db2.gz FMKPENGVVSBODF-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401495 857404389 /nfs/dbraw/zinc/40/43/89/857404389.db2.gz FMKPENGVVSBODF-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234401495 857404394 /nfs/dbraw/zinc/40/43/94/857404394.db2.gz FMKPENGVVSBODF-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401495 857404400 /nfs/dbraw/zinc/40/44/00/857404400.db2.gz FMKPENGVVSBODF-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C[C@@H]1O[C@H]3OC(C)(C)O[C@H]3[C@@H]1O)CC2 ZINC001235589025 857428351 /nfs/dbraw/zinc/42/83/51/857428351.db2.gz NRWMWASMMAUXTG-ATGSNQNLSA-N 2 1 355.435 0.354 20 0 FCADMP [NH3+]CCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001238203922 857464115 /nfs/dbraw/zinc/46/41/15/857464115.db2.gz GMXMHDGNWMQQLE-KRWDZBQOSA-N 3 1 366.531 0.366 20 0 FCADMP COC(=O)c1ccc(C[NH+]2CCC(NS(=O)(=O)CC[NH3+])CC2)cc1 ZINC001238807512 857480576 /nfs/dbraw/zinc/48/05/76/857480576.db2.gz HOHIQDOPWSWVTH-UHFFFAOYSA-N 2 1 355.460 0.316 20 0 FCADMP [NH3+][C@H](CCCCNS(=O)(=O)[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238899612 857486900 /nfs/dbraw/zinc/48/69/00/857486900.db2.gz GNTPRUKUXKZNJM-JKSUJKDBSA-N 2 1 369.487 0.509 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502884 862922195 /nfs/dbraw/zinc/92/21/95/862922195.db2.gz ZGKCUSZGBOVDAG-IAGOWNOFSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001279502884 862922205 /nfs/dbraw/zinc/92/22/05/862922205.db2.gz ZGKCUSZGBOVDAG-IAGOWNOFSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502884 862922221 /nfs/dbraw/zinc/92/22/21/862922221.db2.gz ZGKCUSZGBOVDAG-IAGOWNOFSA-N 2 1 358.552 0.923 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502884 862922232 /nfs/dbraw/zinc/92/22/32/862922232.db2.gz ZGKCUSZGBOVDAG-IAGOWNOFSA-N 2 1 358.552 0.923 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001245978176 857561821 /nfs/dbraw/zinc/56/18/21/857561821.db2.gz JYILBSNHUCOSCC-VDMKFOLZSA-N 2 1 355.429 0.552 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245981392 857562710 /nfs/dbraw/zinc/56/27/10/857562710.db2.gz GRJQHVDLLWFVEU-CUWKQTPXSA-N 2 1 355.429 0.410 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001246018437 857564148 /nfs/dbraw/zinc/56/41/48/857564148.db2.gz DLGUSDIERJRFDU-HKUYNNGSSA-N 2 1 352.475 0.791 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020054 857565000 /nfs/dbraw/zinc/56/50/00/857565000.db2.gz HCQOGJXPFCTFHI-BHYGNILZSA-N 2 1 350.459 0.753 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030078 857565558 /nfs/dbraw/zinc/56/55/58/857565558.db2.gz CAWOKXJBPGJIGU-HUUCEWRRSA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030078 857565568 /nfs/dbraw/zinc/56/55/68/857565568.db2.gz CAWOKXJBPGJIGU-HUUCEWRRSA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@]12CNC[C@@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030078 857565571 /nfs/dbraw/zinc/56/55/71/857565571.db2.gz CAWOKXJBPGJIGU-HUUCEWRRSA-N 2 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@]12CNC[C@@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030078 857565580 /nfs/dbraw/zinc/56/55/80/857565580.db2.gz CAWOKXJBPGJIGU-HUUCEWRRSA-N 2 1 365.396 0.118 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246453241 857580272 /nfs/dbraw/zinc/58/02/72/857580272.db2.gz MJCPEMITZJODLJ-UHFFFAOYSA-N 3 1 357.495 0.960 20 0 FCADMP COC(=O)C1C[C@@H]2CC(N3CCNC[C@@]4(CCCC[NH2+]4)C3)C[C@H](C1)[NH2+]2 ZINC001246636415 857587131 /nfs/dbraw/zinc/58/71/31/857587131.db2.gz VOCKSRCVANMTBL-SANTULGFSA-N 2 1 350.507 0.476 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246668939 857588554 /nfs/dbraw/zinc/58/85/54/857588554.db2.gz QMUQBBHSCOQALB-RVKKMQEKSA-N 2 1 355.479 0.140 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1 ZINC001246668942 857589378 /nfs/dbraw/zinc/58/93/78/857589378.db2.gz QMUQBBHSCOQALB-VKJFTORMSA-N 2 1 355.479 0.140 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709345 857592538 /nfs/dbraw/zinc/59/25/38/857592538.db2.gz NMDLQJLYBRMYDS-XBKGKQEASA-N 2 1 351.491 0.902 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709345 857592547 /nfs/dbraw/zinc/59/25/47/857592547.db2.gz NMDLQJLYBRMYDS-XBKGKQEASA-N 2 1 351.491 0.902 20 0 FCADMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699263 857592670 /nfs/dbraw/zinc/59/26/70/857592670.db2.gz ZLQOJQFDTQPBBU-ROUUACIJSA-N 2 1 352.523 0.141 20 0 FCADMP O=C(c1cscn1)N1C[C@H]2C[C@@H](C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765332 857599633 /nfs/dbraw/zinc/59/96/33/857599633.db2.gz JDKKVDULINIPKV-ZNMIVQPWSA-N 2 1 361.515 0.631 20 0 FCADMP CCOC(=O)[C@]12CN([C@H]3C[NH2+][C@@](CC)(C(=O)OC)C3)C[C@H]1C[NH2+]CC2 ZINC001246855103 857603353 /nfs/dbraw/zinc/60/33/53/857603353.db2.gz JPGJBQBUHWHKHT-DTTOXWODSA-N 2 1 353.463 0.145 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246945467 857606543 /nfs/dbraw/zinc/60/65/43/857606543.db2.gz YKRDHFWEALNNCK-SFHVURJKSA-N 3 1 368.591 0.858 20 0 FCADMP O=S(=O)(c1ccccc1)N1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246964405 857607812 /nfs/dbraw/zinc/60/78/12/857607812.db2.gz YUSIALSRCYIZQI-MRXNPFEDSA-N 2 1 364.515 0.477 20 0 FCADMP COC(=O)[C@]12CC[NH2+][C@H]1CN([C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1)CC2 ZINC001246992786 857608904 /nfs/dbraw/zinc/60/89/04/857608904.db2.gz ZDZGVCJUULDDRO-NUXNZHGMSA-N 2 1 353.463 0.286 20 0 FCADMP C[N@H+]1CCCN(CC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453465 857724334 /nfs/dbraw/zinc/72/43/34/857724334.db2.gz OHULMHJKXMBAHB-GOSISDBHSA-N 2 1 356.511 0.585 20 0 FCADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)COCC(F)(F)C(F)F ZINC001251569395 857731068 /nfs/dbraw/zinc/73/10/68/857731068.db2.gz GVTLZZOFKYUICW-HZSPNIEDSA-N 2 1 371.419 0.975 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251632612 857737580 /nfs/dbraw/zinc/73/75/80/857737580.db2.gz DLNHTSVCNLGQDJ-LLVKDONJSA-N 2 1 359.364 0.018 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccns4)CC3)[C@H]2C1 ZINC001279555738 862956092 /nfs/dbraw/zinc/95/60/92/862956092.db2.gz DPFWEVHDCRASBT-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccns4)CC3)[C@H]2C1 ZINC001279555738 862956107 /nfs/dbraw/zinc/95/61/07/862956107.db2.gz DPFWEVHDCRASBT-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccns4)CC3)[C@H]2C1 ZINC001279555738 862956119 /nfs/dbraw/zinc/95/61/19/862956119.db2.gz DPFWEVHDCRASBT-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001253182844 857868820 /nfs/dbraw/zinc/86/88/20/857868820.db2.gz ULFKNGVZAXJYNC-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253182668 857869600 /nfs/dbraw/zinc/86/96/00/857869600.db2.gz SGXVEVGDRJGILF-RBUKOAKNSA-N 2 1 357.539 0.750 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@@H](OCC(=O)NC)CO2)CC1 ZINC001253182845 857869649 /nfs/dbraw/zinc/86/96/49/857869649.db2.gz ULFKNGVZAXJYNC-JKSUJKDBSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)C[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001253185346 857870670 /nfs/dbraw/zinc/87/06/70/857870670.db2.gz FQNWCYXVVKBAHT-XDNAFOTISA-N 2 1 350.511 0.375 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253405983 857886493 /nfs/dbraw/zinc/88/64/93/857886493.db2.gz VYPVFUSUKSHKMP-HNNXBMFYSA-N 2 1 358.527 0.878 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678697 857902848 /nfs/dbraw/zinc/90/28/48/857902848.db2.gz NUOXGZVJVMSEMP-OWCLPIDISA-N 2 1 358.479 0.358 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678697 857902861 /nfs/dbraw/zinc/90/28/61/857902861.db2.gz NUOXGZVJVMSEMP-OWCLPIDISA-N 2 1 358.479 0.358 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678697 857902872 /nfs/dbraw/zinc/90/28/72/857902872.db2.gz NUOXGZVJVMSEMP-OWCLPIDISA-N 2 1 358.479 0.358 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2)CC1 ZINC001253682886 857904535 /nfs/dbraw/zinc/90/45/35/857904535.db2.gz XBMLWNQGLRFACN-OAHLLOKOSA-N 2 1 355.479 0.175 20 0 FCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CCC[N@@H+](C)CC2)S(C)(=O)=O)cn1 ZINC001254519666 857977410 /nfs/dbraw/zinc/97/74/10/857977410.db2.gz UPPWKQASPIKBHC-IXDOHACOSA-N 2 1 369.535 0.439 20 0 FCADMP C[N@H+]1CC[C@H](N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255434278 858011241 /nfs/dbraw/zinc/01/12/41/858011241.db2.gz PJLHIZUZGFLXIZ-YQQAZPJKSA-N 2 1 357.520 0.786 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@@H]1CCC[N@H+](C)C1)CC2 ZINC001255488323 858015481 /nfs/dbraw/zinc/01/54/81/858015481.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 2 1 351.539 0.251 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001255488323 858015490 /nfs/dbraw/zinc/01/54/90/858015490.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 2 1 351.539 0.251 20 0 FCADMP CN(C)C(=O)CN1CCO[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279609091 862976691 /nfs/dbraw/zinc/97/66/91/862976691.db2.gz GVVCICNWVDUJTD-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255991464 858046044 /nfs/dbraw/zinc/04/60/44/858046044.db2.gz VRPABQLDJLABNT-GFCCVEGCSA-N 2 1 364.412 0.682 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255991464 858046049 /nfs/dbraw/zinc/04/60/49/858046049.db2.gz VRPABQLDJLABNT-GFCCVEGCSA-N 2 1 364.412 0.682 20 0 FCADMP C[NH+]1CCC([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC1 ZINC001256207356 858056793 /nfs/dbraw/zinc/05/67/93/858056793.db2.gz JCUHHDMWXPBYGO-NXHRZFHOSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001256204801 858057340 /nfs/dbraw/zinc/05/73/40/858057340.db2.gz LSFAIEAPQCIEKL-NUJGCVRESA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCC([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC1 ZINC001256204801 858057348 /nfs/dbraw/zinc/05/73/48/858057348.db2.gz LSFAIEAPQCIEKL-NUJGCVRESA-N 2 1 351.491 0.524 20 0 FCADMP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CCC([NH+]3CCOCC3)CC2)O1 ZINC001256690589 858095061 /nfs/dbraw/zinc/09/50/61/858095061.db2.gz JBYQMWRHZIGAIX-NHHFINERSA-N 2 1 351.491 0.950 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256690733 858095091 /nfs/dbraw/zinc/09/50/91/858095091.db2.gz KUXWJATXBQEWHT-HTPOPCQBSA-N 2 1 351.491 0.857 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]C[C@H](C[NH3+])C(=O)OC)CC1 ZINC001256995741 858111625 /nfs/dbraw/zinc/11/16/25/858111625.db2.gz NZUROVIPWYYVBR-LBPRGKRZSA-N 2 1 358.435 0.379 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(C2CCN(S(C)(=O)=O)CC2)c2c1CC[NH2+]C2 ZINC001257237120 858130881 /nfs/dbraw/zinc/13/08/81/858130881.db2.gz TYJWGEHPXTWTLO-UHFFFAOYSA-N 2 1 369.535 0.966 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C(=O)OC ZINC001257731244 858158174 /nfs/dbraw/zinc/15/81/74/858158174.db2.gz VYLPOISFLWQJDI-LUXYFRNMSA-N 2 1 353.463 0.130 20 0 FCADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1 ZINC001258011862 858173806 /nfs/dbraw/zinc/17/38/06/858173806.db2.gz KSBCKBCURVPUBX-RCCFBDPRSA-N 2 1 353.507 0.911 20 0 FCADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001258773480 858210748 /nfs/dbraw/zinc/21/07/48/858210748.db2.gz JYJGJQLZUOJJFX-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c1=S ZINC001262482541 858957250 /nfs/dbraw/zinc/95/72/50/858957250.db2.gz FSDXGHIBVMOPAW-HZSPNIEDSA-N 2 1 366.535 0.989 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c1=S ZINC001262482541 858957253 /nfs/dbraw/zinc/95/72/53/858957253.db2.gz FSDXGHIBVMOPAW-HZSPNIEDSA-N 2 1 366.535 0.989 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001264094783 859309525 /nfs/dbraw/zinc/30/95/25/859309525.db2.gz SRNZJFLAIKPXNK-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264098295 859310672 /nfs/dbraw/zinc/31/06/72/859310672.db2.gz DUNGTDIPUTYDDD-SQNIBIBYSA-N 2 1 353.507 0.506 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001270155044 859668397 /nfs/dbraw/zinc/66/83/97/859668397.db2.gz DIOAUNMMWUDQIE-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001270176121 859677815 /nfs/dbraw/zinc/67/78/15/859677815.db2.gz SNYFBGIZLOXZGY-CALCHBBNSA-N 2 1 353.507 0.386 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001270176121 859677822 /nfs/dbraw/zinc/67/78/22/859677822.db2.gz SNYFBGIZLOXZGY-CALCHBBNSA-N 2 1 353.507 0.386 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[C@H]1CCC[N@@H+](C)C1 ZINC001271657639 859987620 /nfs/dbraw/zinc/98/76/20/859987620.db2.gz AYTVPOLOCAYRBX-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500601 860509649 /nfs/dbraw/zinc/50/96/49/860509649.db2.gz BVQIOOVWNYVKRO-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001273511922 860514157 /nfs/dbraw/zinc/51/41/57/860514157.db2.gz NIZUYAYLZNKJJY-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001273511922 860514163 /nfs/dbraw/zinc/51/41/63/860514163.db2.gz NIZUYAYLZNKJJY-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001273511922 860514173 /nfs/dbraw/zinc/51/41/73/860514173.db2.gz NIZUYAYLZNKJJY-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273834099 860613414 /nfs/dbraw/zinc/61/34/14/860613414.db2.gz AMRWHMNMMYWOGD-IEBWSBKVSA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)C[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275063364 860926996 /nfs/dbraw/zinc/92/69/96/860926996.db2.gz KWWTZKNVAXLXCI-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)C[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275063364 860927010 /nfs/dbraw/zinc/92/70/10/860927010.db2.gz KWWTZKNVAXLXCI-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275063364 860927026 /nfs/dbraw/zinc/92/70/26/860927026.db2.gz KWWTZKNVAXLXCI-IBGZPJMESA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275176835 860979372 /nfs/dbraw/zinc/97/93/72/860979372.db2.gz LPYYOHSMBPWHHY-PKOBYXMFSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001275176835 860979380 /nfs/dbraw/zinc/97/93/80/860979380.db2.gz LPYYOHSMBPWHHY-PKOBYXMFSA-N 2 1 351.539 0.108 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCC1OCCO1)C2 ZINC001275292667 861018698 /nfs/dbraw/zinc/01/86/98/861018698.db2.gz FBLYTXFERYXYFE-SFHVURJKSA-N 2 1 355.479 0.252 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cnc(N)s3)C2)C1=O ZINC001275732821 861173783 /nfs/dbraw/zinc/17/37/83/861173783.db2.gz JAMHVTYXSUGHED-INIZCTEOSA-N 2 1 351.476 0.628 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736121 861178745 /nfs/dbraw/zinc/17/87/45/861178745.db2.gz BHELYHMTQNLNQO-KDOFPFPSSA-N 2 1 353.463 0.241 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736405 861180439 /nfs/dbraw/zinc/18/04/39/861180439.db2.gz DLSYBAVSJLDPAW-RDTXWAMCSA-N 2 1 350.463 0.091 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736398 861180575 /nfs/dbraw/zinc/18/05/75/861180575.db2.gz DLSYBAVSJLDPAW-KDOFPFPSSA-N 2 1 350.463 0.091 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736427 861180597 /nfs/dbraw/zinc/18/05/97/861180597.db2.gz DPOFFRJQVXQDPU-QAPCUYQASA-N 2 1 353.463 0.098 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736424 861180761 /nfs/dbraw/zinc/18/07/61/861180761.db2.gz DPOFFRJQVXQDPU-MAUKXSAKSA-N 2 1 353.463 0.098 20 0 FCADMP CC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743685 861187944 /nfs/dbraw/zinc/18/79/44/861187944.db2.gz URFQLAUOXCTKLS-HNAYVOBHSA-N 2 1 351.491 0.999 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@H]23)CC1 ZINC001279891989 863118220 /nfs/dbraw/zinc/11/82/20/863118220.db2.gz MSAJWGSJRGSFTI-JKSUJKDBSA-N 2 1 350.463 0.310 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914412 863133570 /nfs/dbraw/zinc/13/35/70/863133570.db2.gz QRLQLTRZKIEMIG-LPHOPBHVSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975010 863160636 /nfs/dbraw/zinc/16/06/36/863160636.db2.gz ARUSKMPSVMSRTD-KRWDZBQOSA-N 2 1 355.552 0.299 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279975299 863161930 /nfs/dbraw/zinc/16/19/30/863161930.db2.gz DQZXDBLWZDHHTI-GOSISDBHSA-N 2 1 369.579 0.689 20 0 FCADMP COC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280056976 863228016 /nfs/dbraw/zinc/22/80/16/863228016.db2.gz VUYLEUXMFXLECB-HOTGVXAUSA-N 2 1 352.523 0.485 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280125120 863276980 /nfs/dbraw/zinc/27/69/80/863276980.db2.gz DHCOPEFESHWBAY-DNVCBOLYSA-N 2 1 350.482 0.515 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280141074 863290603 /nfs/dbraw/zinc/29/06/03/863290603.db2.gz PMWXXZZGJWPSJH-NVXWUHKLSA-N 2 1 357.520 0.201 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]23)CC1 ZINC001280205244 863334926 /nfs/dbraw/zinc/33/49/26/863334926.db2.gz PYLBGOXTGZOACX-OWCLPIDISA-N 2 1 350.463 0.453 20 0 FCADMP COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001280246166 863357964 /nfs/dbraw/zinc/35/79/64/863357964.db2.gz RTQGDLBJPDUHFE-YQQQUEKLSA-N 2 1 354.539 0.829 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001280256154 863361766 /nfs/dbraw/zinc/36/17/66/863361766.db2.gz ATJCRFKXNXOAKZ-OSBBLCOHSA-N 2 1 350.507 0.537 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280256194 863362178 /nfs/dbraw/zinc/36/21/78/863362178.db2.gz BOAIVKFMTXKQMN-NVXWUHKLSA-N 2 1 351.491 0.429 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001280258244 863364453 /nfs/dbraw/zinc/36/44/53/863364453.db2.gz LKJPLMACDTXXCW-HOTGVXAUSA-N 2 1 350.507 0.635 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259699 863365988 /nfs/dbraw/zinc/36/59/88/863365988.db2.gz YVEOBYABCSJRSZ-WMLDXEAASA-N 2 1 350.482 0.515 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)C1 ZINC001280259699 863365998 /nfs/dbraw/zinc/36/59/98/863365998.db2.gz YVEOBYABCSJRSZ-WMLDXEAASA-N 2 1 350.482 0.515 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@H]2C1 ZINC001280279430 863375795 /nfs/dbraw/zinc/37/57/95/863375795.db2.gz XLXBWLBBKROWTJ-HOTGVXAUSA-N 2 1 357.470 0.869 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001280391422 863421463 /nfs/dbraw/zinc/42/14/63/863421463.db2.gz QNJANZVWYQHELE-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001280391422 863421469 /nfs/dbraw/zinc/42/14/69/863421469.db2.gz QNJANZVWYQHELE-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001280391422 863421481 /nfs/dbraw/zinc/42/14/81/863421481.db2.gz QNJANZVWYQHELE-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001282211603 864125094 /nfs/dbraw/zinc/12/50/94/864125094.db2.gz VOFSLUKGFWCEPU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1)[NH+](C)C ZINC001282307522 864180721 /nfs/dbraw/zinc/18/07/21/864180721.db2.gz YQIXLRXWYGPEIE-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CCN1CC[C@H]([N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOC)C1=O ZINC001284656955 864587244 /nfs/dbraw/zinc/58/72/44/864587244.db2.gz XQSNGFZBKGWDJP-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@H]([N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOC)C1=O ZINC001284656955 864587255 /nfs/dbraw/zinc/58/72/55/864587255.db2.gz XQSNGFZBKGWDJP-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@H]([NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOC)C1=O ZINC001284656955 864587269 /nfs/dbraw/zinc/58/72/69/864587269.db2.gz XQSNGFZBKGWDJP-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@H]([NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOC)C1=O ZINC001284656955 864587280 /nfs/dbraw/zinc/58/72/80/864587280.db2.gz XQSNGFZBKGWDJP-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@H+]1C ZINC001284736912 864594063 /nfs/dbraw/zinc/59/40/63/864594063.db2.gz PNVCZJCIDJYOGL-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)CC1 ZINC001298438276 866114332 /nfs/dbraw/zinc/11/43/32/866114332.db2.gz UETLFZBTFCKXJQ-GOSISDBHSA-N 2 1 366.575 0.910 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCCC1 ZINC001349064306 866221167 /nfs/dbraw/zinc/22/11/67/866221167.db2.gz HMZXWNWNSDUFMN-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCCC1 ZINC001349064306 866221181 /nfs/dbraw/zinc/22/11/81/866221181.db2.gz HMZXWNWNSDUFMN-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001311531500 867109964 /nfs/dbraw/zinc/10/99/64/867109964.db2.gz ABWKXERNBQUJBQ-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001311531500 867109977 /nfs/dbraw/zinc/10/99/77/867109977.db2.gz ABWKXERNBQUJBQ-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001311531500 867109994 /nfs/dbraw/zinc/10/99/94/867109994.db2.gz ABWKXERNBQUJBQ-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001353507474 867438810 /nfs/dbraw/zinc/43/88/10/867438810.db2.gz NHWFAWQSKDLKNJ-IXDOHACOSA-N 2 1 353.511 0.162 20 0 FCADMP [NH3+]C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCCCC1 ZINC001353612296 867455421 /nfs/dbraw/zinc/45/54/21/867455421.db2.gz AWUQGIVPWAUFQR-IAGOWNOFSA-N 2 1 350.507 0.955 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001318295679 867636577 /nfs/dbraw/zinc/63/65/77/867636577.db2.gz ZSJLGWAEZKINIR-HNNXBMFYSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001319627994 867966185 /nfs/dbraw/zinc/96/61/85/867966185.db2.gz YIAMHXLEYAYTAP-SQNIBIBYSA-N 2 1 351.539 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)[C@@H]2CCCC[NH+]2C)C2CC2)CC[N@H+]1C ZINC001356640242 868037943 /nfs/dbraw/zinc/03/79/43/868037943.db2.gz VJNJGRXSQGBXGF-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)CC[NH+]1C ZINC001356640242 868037955 /nfs/dbraw/zinc/03/79/55/868037955.db2.gz VJNJGRXSQGBXGF-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)CC[NH+]1C ZINC001356640242 868037973 /nfs/dbraw/zinc/03/79/73/868037973.db2.gz VJNJGRXSQGBXGF-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001321982024 868691086 /nfs/dbraw/zinc/69/10/86/868691086.db2.gz CRDLVNRTPDMPIS-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP OC[C@@H]1C[NH+](CCOCC[N@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC001323999212 869442392 /nfs/dbraw/zinc/44/23/92/869442392.db2.gz LJZZUSADMJBHLT-KBPBESRZSA-N 2 1 372.403 0.902 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001327413836 870852182 /nfs/dbraw/zinc/85/21/82/870852182.db2.gz YOAZSFZZEVQMML-KXBFYZLASA-N 2 1 350.507 0.907 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC001327841492 871106933 /nfs/dbraw/zinc/10/69/33/871106933.db2.gz XLSRMMXNJPVLFZ-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457399 871442987 /nfs/dbraw/zinc/44/29/87/871442987.db2.gz RILJTCGVJYFXIE-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001328457399 871443000 /nfs/dbraw/zinc/44/30/00/871443000.db2.gz RILJTCGVJYFXIE-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001328457399 871443011 /nfs/dbraw/zinc/44/30/11/871443011.db2.gz RILJTCGVJYFXIE-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001346205146 871706491 /nfs/dbraw/zinc/70/64/91/871706491.db2.gz ZOFSAOWAHLNHMJ-GOSISDBHSA-N 2 1 369.531 0.741 20 0 FCADMP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001328923950 871715844 /nfs/dbraw/zinc/71/58/44/871715844.db2.gz WBMRUWDCWYEQLE-LSDHHAIUSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001328923950 871715852 /nfs/dbraw/zinc/71/58/52/871715852.db2.gz WBMRUWDCWYEQLE-LSDHHAIUSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346265016 871737866 /nfs/dbraw/zinc/73/78/66/871737866.db2.gz RTZNBFVSMILSBK-HZPDHXFCSA-N 2 1 353.511 0.761 20 0 FCADMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289647 871753831 /nfs/dbraw/zinc/75/38/31/871753831.db2.gz WWLZQIBNZQXHKV-MAUKXSAKSA-N 2 1 359.511 0.897 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCN3CCC4(C3)OCCO4)C2)C1 ZINC001346553849 871900751 /nfs/dbraw/zinc/90/07/51/871900751.db2.gz MKDOBBPBYWTYQB-QGZVFWFLSA-N 2 1 352.479 0.563 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001329252040 871912259 /nfs/dbraw/zinc/91/22/59/871912259.db2.gz DOTHKWRXFNPURI-USTZCAOPSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](O)[C@@H](CO)C1)CC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329252040 871912272 /nfs/dbraw/zinc/91/22/72/871912272.db2.gz DOTHKWRXFNPURI-USTZCAOPSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](O)[C@@H](CO)C1)CC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329252040 871912285 /nfs/dbraw/zinc/91/22/85/871912285.db2.gz DOTHKWRXFNPURI-USTZCAOPSA-N 2 1 374.598 0.045 20 0 FCADMP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001347187301 872210907 /nfs/dbraw/zinc/21/09/07/872210907.db2.gz QESATBOAJOUEEY-WBVHZDCISA-N 2 1 353.511 0.127 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC(C)C)C[C@H]1C ZINC001347438703 872333562 /nfs/dbraw/zinc/33/35/62/872333562.db2.gz PANDKHBAMOUWNE-ZIAGYGMSSA-N 2 1 350.467 0.950 20 0 FCADMP COC(C)(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001330162028 872498864 /nfs/dbraw/zinc/49/88/64/872498864.db2.gz HAOZZSTZPPJDGB-AWEZNQCLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001348237729 872638744 /nfs/dbraw/zinc/63/87/44/872638744.db2.gz UUIYKRDQIXOPGF-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330691796 872767984 /nfs/dbraw/zinc/76/79/84/872767984.db2.gz RSEVTBMRKAXRPB-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC001348852469 872813291 /nfs/dbraw/zinc/81/32/91/872813291.db2.gz MOKBYNJTHIBVCW-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC001331129010 872973591 /nfs/dbraw/zinc/97/35/91/872973591.db2.gz ZVTFSSPTFMOQMF-LVQVYYBASA-N 2 1 354.495 0.093 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332687 873460205 /nfs/dbraw/zinc/46/02/05/873460205.db2.gz SNBAOXIKCLOLFB-VVLHAWIVSA-N 2 1 350.507 0.953 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001332628402 873587835 /nfs/dbraw/zinc/58/78/35/873587835.db2.gz QAIQGZVHCZXKHT-MWDXBVQZSA-N 2 1 353.511 0.160 20 0 FCADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574925852 948979701 /nfs/dbraw/zinc/97/97/01/948979701.db2.gz FKYVOTWZHNYBEB-AWEZNQCLSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926238 948990808 /nfs/dbraw/zinc/99/08/08/948990808.db2.gz LOXIDNVLKZUCTL-QWHCGFSZSA-N 2 1 358.450 0.190 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711887 949558704 /nfs/dbraw/zinc/55/87/04/949558704.db2.gz NLTAJJQQSNZUPG-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711887 949558721 /nfs/dbraw/zinc/55/87/21/949558721.db2.gz NLTAJJQQSNZUPG-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574740264 950223024 /nfs/dbraw/zinc/22/30/24/950223024.db2.gz DBASHEBUUMPXNL-IHRRRGAJSA-N 2 1 372.477 0.673 20 0 FCADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C(C)C ZINC001574159618 950313087 /nfs/dbraw/zinc/31/30/87/950313087.db2.gz WSHDSVIVTFYIOU-CQSZACIVSA-N 2 1 374.493 0.967 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576197961 950395887 /nfs/dbraw/zinc/39/58/87/950395887.db2.gz QDKRFQRRHFCFSP-ZDUSSCGKSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576205000 950488130 /nfs/dbraw/zinc/48/81/30/950488130.db2.gz FNHQLHORXIEXEQ-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205103 950498451 /nfs/dbraw/zinc/49/84/51/950498451.db2.gz UCWFKXZSXNBDOF-ZDUSSCGKSA-N 2 1 356.434 0.252 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205103 950498459 /nfs/dbraw/zinc/49/84/59/950498459.db2.gz UCWFKXZSXNBDOF-ZDUSSCGKSA-N 2 1 356.434 0.252 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576209235 950626534 /nfs/dbraw/zinc/62/65/34/950626534.db2.gz ZSPAFPUMPKBQOL-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063299 951964026 /nfs/dbraw/zinc/96/40/26/951964026.db2.gz KGAOHPHUGRYFKH-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063299 951964040 /nfs/dbraw/zinc/96/40/40/951964040.db2.gz KGAOHPHUGRYFKH-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063299 951964050 /nfs/dbraw/zinc/96/40/50/951964050.db2.gz KGAOHPHUGRYFKH-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571105131 952390051 /nfs/dbraw/zinc/39/00/51/952390051.db2.gz IKRNJQWXCCTITR-DOMZBBRYSA-N 2 1 373.436 0.648 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000293788503 214201251 /nfs/dbraw/zinc/20/12/51/214201251.db2.gz XBEJVSKWTYIOET-QRQLOZEOSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000293788503 214201255 /nfs/dbraw/zinc/20/12/55/214201255.db2.gz XBEJVSKWTYIOET-QRQLOZEOSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293788503 214201257 /nfs/dbraw/zinc/20/12/57/214201257.db2.gz XBEJVSKWTYIOET-QRQLOZEOSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293788503 214201259 /nfs/dbraw/zinc/20/12/59/214201259.db2.gz XBEJVSKWTYIOET-QRQLOZEOSA-N 2 1 361.486 0.801 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000294312238 214238316 /nfs/dbraw/zinc/23/83/16/214238316.db2.gz SXWHGLQHEXTLLL-VQIMIIECSA-N 2 1 361.486 0.490 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000930652230 674046417 /nfs/dbraw/zinc/04/64/17/674046417.db2.gz INLGULCYIHOXLH-RDJZCZTQSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000930652230 674046421 /nfs/dbraw/zinc/04/64/21/674046421.db2.gz INLGULCYIHOXLH-RDJZCZTQSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000930652230 674046428 /nfs/dbraw/zinc/04/64/28/674046428.db2.gz INLGULCYIHOXLH-RDJZCZTQSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000930652230 674046433 /nfs/dbraw/zinc/04/64/33/674046433.db2.gz INLGULCYIHOXLH-RDJZCZTQSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331466919 215001523 /nfs/dbraw/zinc/00/15/23/215001523.db2.gz VKKBATPNCCWSRO-JSRQGNBESA-N 2 1 350.507 0.809 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC[C@H]21 ZINC000331550763 215013672 /nfs/dbraw/zinc/01/36/72/215013672.db2.gz JGTFFAHAWXLZNJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331550763 215013677 /nfs/dbraw/zinc/01/36/77/215013677.db2.gz JGTFFAHAWXLZNJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000331550763 215013681 /nfs/dbraw/zinc/01/36/81/215013681.db2.gz JGTFFAHAWXLZNJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564671 215015422 /nfs/dbraw/zinc/01/54/22/215015422.db2.gz KVSRSRYLTYFSCP-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000331564671 215015425 /nfs/dbraw/zinc/01/54/25/215015425.db2.gz KVSRSRYLTYFSCP-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000331620158 215023970 /nfs/dbraw/zinc/02/39/70/215023970.db2.gz FFAFUEIXICXYAN-IXDOHACOSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331625457 215025815 /nfs/dbraw/zinc/02/58/15/215025815.db2.gz KOUHTLVOVXQOPV-CPUCHLNUSA-N 2 1 354.520 0.235 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000288101376 213710288 /nfs/dbraw/zinc/71/02/88/213710288.db2.gz ATTGENWYYVKHEK-OAHLLOKOSA-N 2 1 350.463 0.861 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332006018 215078476 /nfs/dbraw/zinc/07/84/76/215078476.db2.gz CMYNJFSJHBBHKH-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332006018 215078480 /nfs/dbraw/zinc/07/84/80/215078480.db2.gz CMYNJFSJHBBHKH-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332006018 215078483 /nfs/dbraw/zinc/07/84/83/215078483.db2.gz CMYNJFSJHBBHKH-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332006018 215078485 /nfs/dbraw/zinc/07/84/85/215078485.db2.gz CMYNJFSJHBBHKH-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000332050088 215084822 /nfs/dbraw/zinc/08/48/22/215084822.db2.gz LQPZMYCNVZPFHH-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000332063679 215086449 /nfs/dbraw/zinc/08/64/49/215086449.db2.gz RMYLHOSIMNXSBV-DZGCQCFKSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332268042 215119151 /nfs/dbraw/zinc/11/91/51/215119151.db2.gz GAMVFWLADYKAHE-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287036090 213576910 /nfs/dbraw/zinc/57/69/10/213576910.db2.gz SATPXPUJOINMLU-UHFFFAOYSA-N 2 1 366.510 0.683 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@H]1C ZINC000332383666 215141312 /nfs/dbraw/zinc/14/13/12/215141312.db2.gz HZCAIPFZDJZAJQ-WTTBNOFXSA-N 2 1 366.506 0.282 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@H]1C ZINC000332383666 215141317 /nfs/dbraw/zinc/14/13/17/215141317.db2.gz HZCAIPFZDJZAJQ-WTTBNOFXSA-N 2 1 366.506 0.282 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000332408834 215147285 /nfs/dbraw/zinc/14/72/85/215147285.db2.gz QEXOBDJHBJRWDH-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000332420119 215149059 /nfs/dbraw/zinc/14/90/59/215149059.db2.gz BQCDNDVIOXUJEN-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C[C@@H]1C ZINC000332436927 215152131 /nfs/dbraw/zinc/15/21/31/215152131.db2.gz AVXGOECPAOWGMM-KCQAQPDRSA-N 2 1 359.474 0.777 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C[C@@H]1C ZINC000332436927 215152134 /nfs/dbraw/zinc/15/21/34/215152134.db2.gz AVXGOECPAOWGMM-KCQAQPDRSA-N 2 1 359.474 0.777 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332507658 215163600 /nfs/dbraw/zinc/16/36/00/215163600.db2.gz TWRYVEVLHUJRQA-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333131912 215239666 /nfs/dbraw/zinc/23/96/66/215239666.db2.gz BUXIJEUSLUYUKV-XMTFNYHQSA-N 2 1 372.517 0.971 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333131910 215239811 /nfs/dbraw/zinc/23/98/11/215239811.db2.gz BUXIJEUSLUYUKV-VSZNYVQBSA-N 2 1 372.517 0.971 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCC1 ZINC000333300275 215261059 /nfs/dbraw/zinc/26/10/59/215261059.db2.gz BTPWQJBPTZTVBW-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333396919 215275650 /nfs/dbraw/zinc/27/56/50/215275650.db2.gz PLWDAGBZBLLURK-KZNAEPCWSA-N 2 1 372.517 0.986 20 0 FCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406131 215276772 /nfs/dbraw/zinc/27/67/72/215276772.db2.gz ZICGCLIMXDCUBJ-HOTGVXAUSA-N 2 1 359.478 0.977 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000333401863 215277267 /nfs/dbraw/zinc/27/72/67/215277267.db2.gz QCXKWJOKUFTNLX-BRWVUGGUSA-N 2 1 360.506 0.984 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333455152 215284068 /nfs/dbraw/zinc/28/40/68/215284068.db2.gz YDPQPBIQFLSWKY-KURKYZTESA-N 2 1 372.517 0.843 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333456185 215284171 /nfs/dbraw/zinc/28/41/71/215284171.db2.gz YGPOCUMHCZZDQJ-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333501143 215290396 /nfs/dbraw/zinc/29/03/96/215290396.db2.gz FLFOUBPFLITMLL-RDBSUJKOSA-N 2 1 363.428 0.701 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333546674 215295548 /nfs/dbraw/zinc/29/55/48/215295548.db2.gz OQUGYWWLFCSSOW-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333653363 215304985 /nfs/dbraw/zinc/30/49/85/215304985.db2.gz KEYFOSOIANRTHL-ZDUSSCGKSA-N 2 1 351.417 0.560 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644636 215305380 /nfs/dbraw/zinc/30/53/80/215305380.db2.gz XXOVHPKISNXSOQ-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333669705 215307679 /nfs/dbraw/zinc/30/76/79/215307679.db2.gz MWQRDVKGKASGDA-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000333728594 215314264 /nfs/dbraw/zinc/31/42/64/215314264.db2.gz HMCHRNUYTMMRPV-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000333761605 215316726 /nfs/dbraw/zinc/31/67/26/215316726.db2.gz ANRVKPSZBQRWRH-CVEARBPZSA-N 2 1 351.495 0.452 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832983 215322651 /nfs/dbraw/zinc/32/26/51/215322651.db2.gz MUNGXRQFCXCDOE-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3([NH3+])CCC3)CC2)CC1 ZINC000333831715 215323169 /nfs/dbraw/zinc/32/31/69/215323169.db2.gz MQVRAXBWDFCHJB-UHFFFAOYSA-N 2 1 365.522 0.844 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333882537 215327656 /nfs/dbraw/zinc/32/76/56/215327656.db2.gz WMPXLXOZVPZMDW-JZXOWHBKSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333891224 215328875 /nfs/dbraw/zinc/32/88/75/215328875.db2.gz GYPSVWQWIMIKJC-YYIAUSFCSA-N 2 1 363.506 0.323 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000333904608 215330006 /nfs/dbraw/zinc/33/00/06/215330006.db2.gz UNJMPTQTEREOJG-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333904608 215330009 /nfs/dbraw/zinc/33/00/09/215330009.db2.gz UNJMPTQTEREOJG-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333929064 215332281 /nfs/dbraw/zinc/33/22/81/215332281.db2.gz XZDHJVDAPZTVBF-KRWDZBQOSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333945495 215333631 /nfs/dbraw/zinc/33/36/31/215333631.db2.gz SXLRMVJYKSYUTM-XHSDSOJGSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000285548144 213356734 /nfs/dbraw/zinc/35/67/34/213356734.db2.gz IIHPYPXNSPFKLN-AWEZNQCLSA-N 2 1 359.474 0.897 20 0 FCADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285260562 213311385 /nfs/dbraw/zinc/31/13/85/213311385.db2.gz YSKMWVUTQYZQHB-UHFFFAOYSA-N 2 1 352.504 0.849 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000285078114 213280075 /nfs/dbraw/zinc/28/00/75/213280075.db2.gz PGCJUCSKSABECQ-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078114 213280076 /nfs/dbraw/zinc/28/00/76/213280076.db2.gz PGCJUCSKSABECQ-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078114 213280077 /nfs/dbraw/zinc/28/00/77/213280077.db2.gz PGCJUCSKSABECQ-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)cc1F ZINC000285058153 213275380 /nfs/dbraw/zinc/27/53/80/213275380.db2.gz OBMXZPXGJABHLW-UHFFFAOYSA-N 2 1 361.421 0.956 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000285016212 213266199 /nfs/dbraw/zinc/26/61/99/213266199.db2.gz UHRWMPOHIIZHBY-LSDHHAIUSA-N 2 1 350.463 0.989 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000284722898 213204899 /nfs/dbraw/zinc/20/48/99/213204899.db2.gz YJVIFVBDBVQHDC-UHFFFAOYSA-N 2 1 360.502 0.960 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000284651802 213190498 /nfs/dbraw/zinc/19/04/98/213190498.db2.gz ZWMJUVCULCGCPW-AWEZNQCLSA-N 2 1 370.519 0.552 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000284625874 213184129 /nfs/dbraw/zinc/18/41/29/213184129.db2.gz YRWBBLYWQOJOQP-CVEARBPZSA-N 2 1 362.474 0.943 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000284554037 213166426 /nfs/dbraw/zinc/16/64/26/213166426.db2.gz VHQPTFXHYLQQTF-HNNXBMFYSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284137836 213083080 /nfs/dbraw/zinc/08/30/80/213083080.db2.gz DMLDUAGETINGGO-IRXDYDNUSA-N 2 1 362.474 0.913 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000283958954 213042465 /nfs/dbraw/zinc/04/24/65/213042465.db2.gz GAUVPQVHNCELCB-UHFFFAOYSA-N 2 1 364.515 0.529 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000283918166 213034988 /nfs/dbraw/zinc/03/49/88/213034988.db2.gz DYWNTADLBIURGX-HNNXBMFYSA-N 2 1 373.501 0.761 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000283899843 213031291 /nfs/dbraw/zinc/03/12/91/213031291.db2.gz DCAJASFKHVMTPP-CQSZACIVSA-N 2 1 370.519 0.552 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000283899837 213030700 /nfs/dbraw/zinc/03/07/00/213030700.db2.gz DCAJASFKHVMTPP-AWEZNQCLSA-N 2 1 370.519 0.552 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000283882903 213026405 /nfs/dbraw/zinc/02/64/05/213026405.db2.gz CKOQBQJRJZBPQY-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000283882903 213026408 /nfs/dbraw/zinc/02/64/08/213026408.db2.gz CKOQBQJRJZBPQY-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000283882903 213026409 /nfs/dbraw/zinc/02/64/09/213026409.db2.gz CKOQBQJRJZBPQY-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000283882903 213026412 /nfs/dbraw/zinc/02/64/12/213026412.db2.gz CKOQBQJRJZBPQY-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000283839179 213017320 /nfs/dbraw/zinc/01/73/20/213017320.db2.gz ARBFSDJHCYTNDY-MRXNPFEDSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000283839179 213017323 /nfs/dbraw/zinc/01/73/23/213017323.db2.gz ARBFSDJHCYTNDY-MRXNPFEDSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283839179 213017325 /nfs/dbraw/zinc/01/73/25/213017325.db2.gz ARBFSDJHCYTNDY-MRXNPFEDSA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000283839179 213017328 /nfs/dbraw/zinc/01/73/28/213017328.db2.gz ARBFSDJHCYTNDY-MRXNPFEDSA-N 2 1 370.497 0.761 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2COC)c1 ZINC000411909287 237101694 /nfs/dbraw/zinc/10/16/94/237101694.db2.gz JSARCUNJYORZMY-MUGJNUQGSA-N 2 1 364.486 0.850 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367050147 216068417 /nfs/dbraw/zinc/06/84/17/216068417.db2.gz MNLXUIWZRICJBL-GOSISDBHSA-N 2 1 372.579 0.902 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262008970 209510067 /nfs/dbraw/zinc/51/00/67/209510067.db2.gz QOTLGSUBQPXDIG-GJZGRUSLSA-N 2 1 350.850 0.681 20 0 FCADMP CC(C)Nc1nc(N2CCC[N@@H+](C3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000367714732 216154117 /nfs/dbraw/zinc/15/41/17/216154117.db2.gz DTEBYEYNVYJCGG-UHFFFAOYSA-N 2 1 363.510 0.395 20 0 FCADMP CC(C)Nc1nc(N2CCC[N@H+](C3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000367714732 216154120 /nfs/dbraw/zinc/15/41/20/216154120.db2.gz DTEBYEYNVYJCGG-UHFFFAOYSA-N 2 1 363.510 0.395 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000246768453 209398302 /nfs/dbraw/zinc/39/83/02/209398302.db2.gz HZRHPKAUHSWLHJ-GVDBMIGSSA-N 2 1 365.522 0.807 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617140 209392248 /nfs/dbraw/zinc/39/22/48/209392248.db2.gz MFFODABXOFVUIK-ZWKOTPCHSA-N 2 1 368.522 0.851 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000246479876 209391118 /nfs/dbraw/zinc/39/11/18/209391118.db2.gz RMJQXJFLIUROLR-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000246479876 209391121 /nfs/dbraw/zinc/39/11/21/209391121.db2.gz RMJQXJFLIUROLR-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000246479876 209391125 /nfs/dbraw/zinc/39/11/25/209391125.db2.gz RMJQXJFLIUROLR-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000246419868 209387996 /nfs/dbraw/zinc/38/79/96/209387996.db2.gz LYSSRJGZJFQLJL-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000246419868 209388003 /nfs/dbraw/zinc/38/80/03/209388003.db2.gz LYSSRJGZJFQLJL-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237543247 209353397 /nfs/dbraw/zinc/35/33/97/209353397.db2.gz ZTNIEWNJRMKHOA-HXUWFJFHSA-N 2 1 358.486 0.979 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237026806 209345582 /nfs/dbraw/zinc/34/55/82/209345582.db2.gz JMRYKPAYIDGZSI-HNNXBMFYSA-N 2 1 356.536 0.484 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237026806 209345585 /nfs/dbraw/zinc/34/55/85/209345585.db2.gz JMRYKPAYIDGZSI-HNNXBMFYSA-N 2 1 356.536 0.484 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000368368476 216239401 /nfs/dbraw/zinc/23/94/01/216239401.db2.gz AVMCSMPLNRQNQG-NNZMDNLPSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000368368476 216239403 /nfs/dbraw/zinc/23/94/03/216239403.db2.gz AVMCSMPLNRQNQG-NNZMDNLPSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000368368476 216239407 /nfs/dbraw/zinc/23/94/07/216239407.db2.gz AVMCSMPLNRQNQG-NNZMDNLPSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000369025477 216332494 /nfs/dbraw/zinc/33/24/94/216332494.db2.gz DUHVLJXTNAENJD-BBWFWOEESA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000369025477 216332496 /nfs/dbraw/zinc/33/24/96/216332496.db2.gz DUHVLJXTNAENJD-BBWFWOEESA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000369025477 216332498 /nfs/dbraw/zinc/33/24/98/216332498.db2.gz DUHVLJXTNAENJD-BBWFWOEESA-N 2 1 354.495 0.506 20 0 FCADMP COc1ccnc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1OC ZINC000190838637 209278877 /nfs/dbraw/zinc/27/88/77/209278877.db2.gz MKBYASNTKWMZGR-UHFFFAOYSA-N 2 1 350.463 0.989 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369392305 216393588 /nfs/dbraw/zinc/39/35/88/216393588.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369392305 216393591 /nfs/dbraw/zinc/39/35/91/216393591.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369392305 216393594 /nfs/dbraw/zinc/39/35/94/216393594.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369392305 216393596 /nfs/dbraw/zinc/39/35/96/216393596.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369392305 216393598 /nfs/dbraw/zinc/39/35/98/216393598.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000369389145 216394542 /nfs/dbraw/zinc/39/45/42/216394542.db2.gz LVQKOALEOXLXMB-KSZLIROESA-N 2 1 352.523 0.723 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000369389145 216394546 /nfs/dbraw/zinc/39/45/46/216394546.db2.gz LVQKOALEOXLXMB-KSZLIROESA-N 2 1 352.523 0.723 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369403978 216399274 /nfs/dbraw/zinc/39/92/74/216399274.db2.gz XVCYMQMLWSMQLG-KRWDZBQOSA-N 2 1 355.527 0.424 20 0 FCADMP Cc1cc(N2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)nc(C)[nH+]1 ZINC000188788165 209237947 /nfs/dbraw/zinc/23/79/47/209237947.db2.gz HYKDHCXQZYQBIV-UHFFFAOYSA-N 2 1 355.446 0.861 20 0 FCADMP C[NH+](CCCN1C(=O)CNC1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188320359 209229433 /nfs/dbraw/zinc/22/94/33/209229433.db2.gz PPDMDKJFROZORP-LJQANCHMSA-N 2 1 360.458 0.497 20 0 FCADMP C[N@@H+](CCCN1C(=O)CNC1=O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188320359 209229416 /nfs/dbraw/zinc/22/94/16/209229416.db2.gz PPDMDKJFROZORP-LJQANCHMSA-N 2 1 360.458 0.497 20 0 FCADMP C[N@H+](CCCN1C(=O)CNC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188320359 209229420 /nfs/dbraw/zinc/22/94/20/209229420.db2.gz PPDMDKJFROZORP-LJQANCHMSA-N 2 1 360.458 0.497 20 0 FCADMP CCCNC(=O)NC(=O)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188282908 209228786 /nfs/dbraw/zinc/22/87/86/209228786.db2.gz RGZYLDSEVFGANJ-LJQANCHMSA-N 2 1 362.474 0.791 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000188163442 209224590 /nfs/dbraw/zinc/22/45/90/209224590.db2.gz CUJYWRIBTXUNIC-UHFFFAOYSA-N 2 1 362.474 0.834 20 0 FCADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000414883116 245330071 /nfs/dbraw/zinc/33/00/71/245330071.db2.gz CPLVTPGPIFYSIK-INIZCTEOSA-N 2 1 363.458 0.760 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000414952970 245339838 /nfs/dbraw/zinc/33/98/38/245339838.db2.gz RHDKVBBKFGRBGC-MRXNPFEDSA-N 2 1 360.458 0.525 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415067783 245346950 /nfs/dbraw/zinc/34/69/50/245346950.db2.gz PQPCJWRJHYXNNO-ZDUSSCGKSA-N 2 1 363.462 0.942 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000415151301 245349157 /nfs/dbraw/zinc/34/91/57/245349157.db2.gz AIBODWOGXYPMHI-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000415151301 245349163 /nfs/dbraw/zinc/34/91/63/245349163.db2.gz AIBODWOGXYPMHI-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415244210 245367714 /nfs/dbraw/zinc/36/77/14/245367714.db2.gz MOTCHHFILZQVFC-LJQANCHMSA-N 2 1 360.458 0.907 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000415330523 245388129 /nfs/dbraw/zinc/38/81/29/245388129.db2.gz ZITLFSHGOIJXTG-OAHLLOKOSA-N 2 1 360.458 0.840 20 0 FCADMP C[NH+]1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000183753248 209152490 /nfs/dbraw/zinc/15/24/90/209152490.db2.gz UMFDSPJTRNRHMW-INIZCTEOSA-N 2 1 372.535 0.087 20 0 FCADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000183269828 209145113 /nfs/dbraw/zinc/14/51/13/209145113.db2.gz MJXPFRBLNBUSBD-HNNXBMFYSA-N 2 1 353.488 0.603 20 0 FCADMP CN(C(=O)NCCN1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375382331 217257830 /nfs/dbraw/zinc/25/78/30/217257830.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)NCCN1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375382331 217257833 /nfs/dbraw/zinc/25/78/33/217257833.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 3 1 353.511 0.129 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745193 217307611 /nfs/dbraw/zinc/30/76/11/217307611.db2.gz PYFXRZYEMWKUGC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745193 217307614 /nfs/dbraw/zinc/30/76/14/217307614.db2.gz PYFXRZYEMWKUGC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745193 217307620 /nfs/dbraw/zinc/30/76/20/217307620.db2.gz PYFXRZYEMWKUGC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000375745193 217307622 /nfs/dbraw/zinc/30/76/22/217307622.db2.gz PYFXRZYEMWKUGC-YYIAUSFCSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745191 217308281 /nfs/dbraw/zinc/30/82/81/217308281.db2.gz PYFXRZYEMWKUGC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745191 217308284 /nfs/dbraw/zinc/30/82/84/217308284.db2.gz PYFXRZYEMWKUGC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745191 217308291 /nfs/dbraw/zinc/30/82/91/217308291.db2.gz PYFXRZYEMWKUGC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745191 217308295 /nfs/dbraw/zinc/30/82/95/217308295.db2.gz PYFXRZYEMWKUGC-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375805744 217319929 /nfs/dbraw/zinc/31/99/29/217319929.db2.gz NIRWQMSAPSYCKW-JKSUJKDBSA-N 2 1 368.478 0.130 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375805744 217319931 /nfs/dbraw/zinc/31/99/31/217319931.db2.gz NIRWQMSAPSYCKW-JKSUJKDBSA-N 2 1 368.478 0.130 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418950142 245923786 /nfs/dbraw/zinc/92/37/86/245923786.db2.gz VTFGAOPIHCKIKU-FGTMMUONSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H](C)O1 ZINC000419087291 245977321 /nfs/dbraw/zinc/97/73/21/245977321.db2.gz PDVXWSVGKKFBQS-TUVASFSCSA-N 2 1 354.495 0.186 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419129469 246004059 /nfs/dbraw/zinc/00/40/59/246004059.db2.gz DDWDLXUKVUJWRN-GHTZIAJQSA-N 2 1 370.497 0.979 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)[nH+]1 ZINC000419135885 246008596 /nfs/dbraw/zinc/00/85/96/246008596.db2.gz OBTAEIYWMFPUIC-CABCVRRESA-N 2 1 359.474 0.684 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)[nH+]1 ZINC000419134509 246009709 /nfs/dbraw/zinc/00/97/09/246009709.db2.gz KDWNEVFNNXERIF-GASCZTMLSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419162675 246025805 /nfs/dbraw/zinc/02/58/05/246025805.db2.gz HRXUFQVIFBUYAL-DOTOQJQBSA-N 2 1 362.474 0.105 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419140869 246012915 /nfs/dbraw/zinc/01/29/15/246012915.db2.gz WMLUDZMZTSFZBR-FHWLQOOXSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419140782 246013486 /nfs/dbraw/zinc/01/34/86/246013486.db2.gz WCRYCHNVBNUPRX-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419149039 246018008 /nfs/dbraw/zinc/01/80/08/246018008.db2.gz DTCTZQBZHQUISG-ZHALLVOQSA-N 2 1 372.513 0.876 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419168453 246030338 /nfs/dbraw/zinc/03/03/38/246030338.db2.gz SHONQCRICQIKTJ-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166927 246031125 /nfs/dbraw/zinc/03/11/25/246031125.db2.gz ICLRPPBDAHTIFL-QRQLOZEOSA-N 2 1 372.513 0.863 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419171573 246031844 /nfs/dbraw/zinc/03/18/44/246031844.db2.gz PGDUSAGDPUQNFG-QZTJIDSGSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000419186937 246042135 /nfs/dbraw/zinc/04/21/35/246042135.db2.gz FLFHWUXTGRZAOR-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000419194205 246045869 /nfs/dbraw/zinc/04/58/69/246045869.db2.gz VVWLIZHJUXBGOR-RBUKOAKNSA-N 2 1 366.465 0.846 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212215 246056096 /nfs/dbraw/zinc/05/60/96/246056096.db2.gz UJJPLBQTTPPXTI-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)CCC(F)(F)F ZINC000419212817 246057083 /nfs/dbraw/zinc/05/70/83/246057083.db2.gz VHKGIEGMNYRPBX-NEPJUHHUSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)CCC(F)(F)F ZINC000419212817 246057088 /nfs/dbraw/zinc/05/70/88/246057088.db2.gz VHKGIEGMNYRPBX-NEPJUHHUSA-N 2 1 352.401 0.573 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419215760 246058878 /nfs/dbraw/zinc/05/88/78/246058878.db2.gz ZEJAPBGFNRKBAH-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213451 246058927 /nfs/dbraw/zinc/05/89/27/246058927.db2.gz WKMGUPIKXMUNMR-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213451 246058931 /nfs/dbraw/zinc/05/89/31/246058931.db2.gz WKMGUPIKXMUNMR-OLZOCXBDSA-N 2 1 366.428 0.963 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419215368 246059680 /nfs/dbraw/zinc/05/96/80/246059680.db2.gz YUASMRWFYNKRHV-GUDVDZBRSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225459 246063863 /nfs/dbraw/zinc/06/38/63/246063863.db2.gz HBQNBHJRRBVQDW-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419226717 246065104 /nfs/dbraw/zinc/06/51/04/246065104.db2.gz DQCJXJYNFBBFDI-IIBYNOLFSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419226717 246065110 /nfs/dbraw/zinc/06/51/10/246065110.db2.gz DQCJXJYNFBBFDI-IIBYNOLFSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419225811 246065332 /nfs/dbraw/zinc/06/53/32/246065332.db2.gz CTMMOTXSPWMGFB-JSGCOSHPSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419225811 246065337 /nfs/dbraw/zinc/06/53/37/246065337.db2.gz CTMMOTXSPWMGFB-JSGCOSHPSA-N 2 1 350.488 0.561 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419198596 246047880 /nfs/dbraw/zinc/04/78/80/246047880.db2.gz CTDKDLVCSWEMHT-SFHVURJKSA-N 2 1 358.486 0.965 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)CCC(F)(F)F ZINC000419207248 246054472 /nfs/dbraw/zinc/05/44/72/246054472.db2.gz MEBDSMSVIYZOGX-RYUDHWBXSA-N 2 1 352.401 0.763 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)CCC(F)(F)F ZINC000419207248 246054475 /nfs/dbraw/zinc/05/44/75/246054475.db2.gz MEBDSMSVIYZOGX-RYUDHWBXSA-N 2 1 352.401 0.763 20 0 FCADMP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1 ZINC000419273322 246083136 /nfs/dbraw/zinc/08/31/36/246083136.db2.gz WXPXFSGIPOJNIE-UHFFFAOYSA-N 2 1 356.417 0.855 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419229041 246068679 /nfs/dbraw/zinc/06/86/79/246068679.db2.gz NKGITDKDSVNDPQ-JZXOWHBKSA-N 2 1 360.502 0.985 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419227750 246068714 /nfs/dbraw/zinc/06/87/14/246068714.db2.gz GCNQTTFIRMKLJS-NFAWXSAZSA-N 2 1 364.515 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419227750 246068722 /nfs/dbraw/zinc/06/87/22/246068722.db2.gz GCNQTTFIRMKLJS-NFAWXSAZSA-N 2 1 364.515 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419233933 246072606 /nfs/dbraw/zinc/07/26/06/246072606.db2.gz LMJOAZQHZKOLPI-AYOQOUSVSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419233933 246072610 /nfs/dbraw/zinc/07/26/10/246072610.db2.gz LMJOAZQHZKOLPI-AYOQOUSVSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419240279 246074134 /nfs/dbraw/zinc/07/41/34/246074134.db2.gz REGPOICWQDHKLZ-HNNXBMFYSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419240279 246074137 /nfs/dbraw/zinc/07/41/37/246074137.db2.gz REGPOICWQDHKLZ-HNNXBMFYSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419249240 246075870 /nfs/dbraw/zinc/07/58/70/246075870.db2.gz YHGXNOHYDJDZES-VNHYZAJKSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419249240 246075874 /nfs/dbraw/zinc/07/58/74/246075874.db2.gz YHGXNOHYDJDZES-VNHYZAJKSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419250606 246076346 /nfs/dbraw/zinc/07/63/46/246076346.db2.gz ZGIAYXSGLDACNZ-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419250606 246076351 /nfs/dbraw/zinc/07/63/51/246076351.db2.gz ZGIAYXSGLDACNZ-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419249238 246077283 /nfs/dbraw/zinc/07/72/83/246077283.db2.gz YHGXNOHYDJDZES-NFAWXSAZSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419249238 246077286 /nfs/dbraw/zinc/07/72/86/246077286.db2.gz YHGXNOHYDJDZES-NFAWXSAZSA-N 2 1 364.515 0.868 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249970 246077479 /nfs/dbraw/zinc/07/74/79/246077479.db2.gz YSPHGXUHZSNSBZ-JCGIZDLHSA-N 2 1 356.470 0.227 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419249970 246077483 /nfs/dbraw/zinc/07/74/83/246077483.db2.gz YSPHGXUHZSNSBZ-JCGIZDLHSA-N 2 1 356.470 0.227 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419388384 246129156 /nfs/dbraw/zinc/12/91/56/246129156.db2.gz DMWZQICOOHHOMT-OWYHZJEWSA-N 2 1 370.497 0.691 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412588 246146522 /nfs/dbraw/zinc/14/65/22/246146522.db2.gz DMFGQSBOTAKRBC-MSOLQXFVSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412588 246146525 /nfs/dbraw/zinc/14/65/25/246146525.db2.gz DMFGQSBOTAKRBC-MSOLQXFVSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412588 246146530 /nfs/dbraw/zinc/14/65/30/246146530.db2.gz DMFGQSBOTAKRBC-MSOLQXFVSA-N 2 1 373.501 0.041 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419412380 246147893 /nfs/dbraw/zinc/14/78/93/246147893.db2.gz RCKSTUVHEKXMGC-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419393637 246131868 /nfs/dbraw/zinc/13/18/68/246131868.db2.gz NLHDJKMKIUGIOV-KRWDZBQOSA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401132 246134037 /nfs/dbraw/zinc/13/40/37/246134037.db2.gz OIFRMRBALHRUDW-MRXNPFEDSA-N 2 1 362.499 0.056 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401132 246134041 /nfs/dbraw/zinc/13/40/41/246134041.db2.gz OIFRMRBALHRUDW-MRXNPFEDSA-N 2 1 362.499 0.056 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399160 246134715 /nfs/dbraw/zinc/13/47/15/246134715.db2.gz JBWGKGFUWGEBDN-XYJFISCASA-N 2 1 360.502 0.985 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccsc1 ZINC000419403844 246137458 /nfs/dbraw/zinc/13/74/58/246137458.db2.gz FLEKTLTYZNONNE-HNNXBMFYSA-N 2 1 350.488 0.893 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401522 246138214 /nfs/dbraw/zinc/13/82/14/246138214.db2.gz OVWSTRHODAQBDI-XYVMCAHJSA-N 2 1 358.486 0.819 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406049 246139637 /nfs/dbraw/zinc/13/96/37/246139637.db2.gz WCBPEZQCSJHCFZ-OAHLLOKOSA-N 2 1 350.488 0.056 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406049 246139639 /nfs/dbraw/zinc/13/96/39/246139639.db2.gz WCBPEZQCSJHCFZ-OAHLLOKOSA-N 2 1 350.488 0.056 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409503 246142039 /nfs/dbraw/zinc/14/20/39/246142039.db2.gz FDAUSJPMFZWNLA-FGTMMUONSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409503 246142044 /nfs/dbraw/zinc/14/20/44/246142044.db2.gz FDAUSJPMFZWNLA-FGTMMUONSA-N 2 1 374.485 0.260 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419423929 246157515 /nfs/dbraw/zinc/15/75/15/246157515.db2.gz NRSKOPPPTWFCBI-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419427614 246160280 /nfs/dbraw/zinc/16/02/80/246160280.db2.gz RYWDNNXYERXROL-MRXNPFEDSA-N 2 1 358.486 0.619 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419454970 246171411 /nfs/dbraw/zinc/17/14/11/246171411.db2.gz VOQJFHCHTWIYKB-HZPDHXFCSA-N 2 1 361.490 0.024 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419451329 246168336 /nfs/dbraw/zinc/16/83/36/246168336.db2.gz NERKEGHKZYYVHA-DLBZAZTESA-N 2 1 373.501 0.182 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419525834 246193267 /nfs/dbraw/zinc/19/32/67/246193267.db2.gz DPCYWXISFBMLPW-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419510046 246185998 /nfs/dbraw/zinc/18/59/98/246185998.db2.gz GLLWXLMRBMRDSR-LSDHHAIUSA-N 2 1 364.446 0.027 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419530357 246193345 /nfs/dbraw/zinc/19/33/45/246193345.db2.gz ZCAQLUFECJGZSH-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000419513781 246186955 /nfs/dbraw/zinc/18/69/55/246186955.db2.gz NAYRUFUUICGBTG-CVEARBPZSA-N 2 1 362.474 0.909 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419517779 246187157 /nfs/dbraw/zinc/18/71/57/246187157.db2.gz XFLCCTNIAKZAIV-DZGCQCFKSA-N 2 1 350.463 0.813 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419523156 246189663 /nfs/dbraw/zinc/18/96/63/246189663.db2.gz AGCDWUXAFCZXQU-DLBZAZTESA-N 2 1 362.474 0.372 20 0 FCADMP C[C@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470506 246172848 /nfs/dbraw/zinc/17/28/48/246172848.db2.gz FLRXDFROEZVNAS-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419564893 246204772 /nfs/dbraw/zinc/20/47/72/246204772.db2.gz YEXJPWXZBZONBR-PVAVHDDUSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419564893 246204779 /nfs/dbraw/zinc/20/47/79/246204779.db2.gz YEXJPWXZBZONBR-PVAVHDDUSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419525110 246193773 /nfs/dbraw/zinc/19/37/73/246193773.db2.gz CVTDEAFUZJUXAK-ATLSCFEFSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536878 246195415 /nfs/dbraw/zinc/19/54/15/246195415.db2.gz VAKBGFUFHBHHMP-JOCBIADPSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533702 246195561 /nfs/dbraw/zinc/19/55/61/246195561.db2.gz PAXNCTVFWOJWBV-HPBDAGMYSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000419558773 246201177 /nfs/dbraw/zinc/20/11/77/246201177.db2.gz OGUMXSKVGQRJNU-ZFVVBOAOSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000419709932 246263427 /nfs/dbraw/zinc/26/34/27/246263427.db2.gz PMMRHOQEJBCWSF-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419755546 246285973 /nfs/dbraw/zinc/28/59/73/246285973.db2.gz DJQSWCZHNHHEAQ-JKSUJKDBSA-N 2 1 362.449 0.442 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CCO1 ZINC000419810525 246303485 /nfs/dbraw/zinc/30/34/85/246303485.db2.gz XELIQOYZOZUEHT-OAHLLOKOSA-N 2 1 366.506 0.476 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419874962 246340868 /nfs/dbraw/zinc/34/08/68/246340868.db2.gz OAEGYMQVPBSSOP-FQEVSTJZSA-N 2 1 358.486 0.837 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000419822783 246307551 /nfs/dbraw/zinc/30/75/51/246307551.db2.gz XAFFXYDGGNYURG-UHFFFAOYSA-N 2 1 364.449 0.976 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])C[C@H](C)O1 ZINC000419835560 246312455 /nfs/dbraw/zinc/31/24/55/246312455.db2.gz YLHNIPLCNNGQDA-GJZGRUSLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])C[C@H](C)O1 ZINC000419835559 246312562 /nfs/dbraw/zinc/31/25/62/246312562.db2.gz YLHNIPLCNNGQDA-GASCZTMLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])C[C@H](C)O1 ZINC000419835559 246312566 /nfs/dbraw/zinc/31/25/66/246312566.db2.gz YLHNIPLCNNGQDA-GASCZTMLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000419834967 246312662 /nfs/dbraw/zinc/31/26/62/246312662.db2.gz UPKRTULMHXGMSD-DOTOQJQBSA-N 2 1 367.538 0.010 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000419850450 246322064 /nfs/dbraw/zinc/32/20/64/246322064.db2.gz LQMRGVMTNQGSAH-UHFFFAOYSA-N 2 1 374.485 0.598 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000419850450 246322070 /nfs/dbraw/zinc/32/20/70/246322070.db2.gz LQMRGVMTNQGSAH-UHFFFAOYSA-N 2 1 374.485 0.598 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862626 246332157 /nfs/dbraw/zinc/33/21/57/246332157.db2.gz MYQSQFNRTPQFBB-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419933630 246375702 /nfs/dbraw/zinc/37/57/02/246375702.db2.gz FKFOOMZGUWDEHC-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419933630 246375707 /nfs/dbraw/zinc/37/57/07/246375707.db2.gz FKFOOMZGUWDEHC-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP [NH3+]C1CCC(NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000419876245 246343925 /nfs/dbraw/zinc/34/39/25/246343925.db2.gz OWMJBXUHPDJNQP-UHFFFAOYSA-N 2 1 364.515 0.821 20 0 FCADMP [NH3+]C1CCC(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000419882818 246347672 /nfs/dbraw/zinc/34/76/72/246347672.db2.gz VMIMBZYGPXKLOW-UHFFFAOYSA-N 2 1 358.486 0.759 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419889299 246352998 /nfs/dbraw/zinc/35/29/98/246352998.db2.gz SAJFCZSHKBYDLG-RXVVDRJESA-N 2 1 370.497 0.979 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419905083 246361599 /nfs/dbraw/zinc/36/15/99/246361599.db2.gz UPJFWOUYHPOVPW-YESZJQIVSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419943794 246380211 /nfs/dbraw/zinc/38/02/11/246380211.db2.gz HUDLVBIHRVODDL-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338062 246546434 /nfs/dbraw/zinc/54/64/34/246546434.db2.gz OLGLTBJQROUGEU-HNNXBMFYSA-N 2 1 363.462 0.999 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000420408353 246558559 /nfs/dbraw/zinc/55/85/59/246558559.db2.gz VVVBIDMJKDTSPU-RBUKOAKNSA-N 2 1 358.486 0.312 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423372228 247012909 /nfs/dbraw/zinc/01/29/09/247012909.db2.gz ICMYISNCWFOIHL-FUHWJXTLSA-N 2 1 374.485 0.296 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423376627 247016504 /nfs/dbraw/zinc/01/65/04/247016504.db2.gz YGXYKWIUKOLBMT-SFHVURJKSA-N 2 1 362.522 0.811 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423380238 247016540 /nfs/dbraw/zinc/01/65/40/247016540.db2.gz NKVGCPWIQGYXLU-SJORKVTESA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423390769 247018246 /nfs/dbraw/zinc/01/82/46/247018246.db2.gz KLEXYYMFLBPKIW-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530548 247045043 /nfs/dbraw/zinc/04/50/43/247045043.db2.gz PPSHROWYMNRVNV-DLBZAZTESA-N 2 1 367.538 0.199 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@@H]1C[NH3+] ZINC000423437644 247027470 /nfs/dbraw/zinc/02/74/70/247027470.db2.gz GJVOKERQBBYOAJ-OIISXLGYSA-N 2 1 350.507 0.620 20 0 FCADMP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000423449872 247030254 /nfs/dbraw/zinc/03/02/54/247030254.db2.gz WTBGFCNCLDEOAQ-CQSZACIVSA-N 2 1 350.467 0.390 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423468019 247033596 /nfs/dbraw/zinc/03/35/96/247033596.db2.gz FBGKINSPAXYASL-LVCYWYKZSA-N 2 1 370.497 0.774 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000423493532 247038348 /nfs/dbraw/zinc/03/83/48/247038348.db2.gz BSRLMNLZZIAEDK-MNEFBYGVSA-N 2 1 360.502 0.893 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423514174 247039917 /nfs/dbraw/zinc/03/99/17/247039917.db2.gz SJDPUSKWXMHTPY-INIZCTEOSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000423517199 247039959 /nfs/dbraw/zinc/03/99/59/247039959.db2.gz BGOTYZFKMRBXIY-DLBZAZTESA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000423517199 247039961 /nfs/dbraw/zinc/03/99/61/247039961.db2.gz BGOTYZFKMRBXIY-DLBZAZTESA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423534062 247043711 /nfs/dbraw/zinc/04/37/11/247043711.db2.gz ZIJBVIXJRSAMHN-YESZJQIVSA-N 2 1 368.522 0.389 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423534062 247043714 /nfs/dbraw/zinc/04/37/14/247043714.db2.gz ZIJBVIXJRSAMHN-YESZJQIVSA-N 2 1 368.522 0.389 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423701166 247115176 /nfs/dbraw/zinc/11/51/76/247115176.db2.gz WBCZNSUEOVEGFL-JKSUJKDBSA-N 2 1 355.527 0.057 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423701166 247115182 /nfs/dbraw/zinc/11/51/82/247115182.db2.gz WBCZNSUEOVEGFL-JKSUJKDBSA-N 2 1 355.527 0.057 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423601121 247070523 /nfs/dbraw/zinc/07/05/23/247070523.db2.gz ZTDIEMVLBIXRMS-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423628339 247084049 /nfs/dbraw/zinc/08/40/49/247084049.db2.gz WBYDODBMFDDVBN-HNNXBMFYSA-N 2 1 354.495 0.143 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423639974 247087368 /nfs/dbraw/zinc/08/73/68/247087368.db2.gz VXDYEFBLSCONID-QWHCGFSZSA-N 2 1 352.401 0.048 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423651912 247094686 /nfs/dbraw/zinc/09/46/86/247094686.db2.gz WLTSFNCQKZMTEF-IPMKNSEASA-N 2 1 370.497 0.917 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656022 247097215 /nfs/dbraw/zinc/09/72/15/247097215.db2.gz TWHIFYRGHJYPRI-WZGPROSRSA-N 2 1 370.497 0.773 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423666602 247100619 /nfs/dbraw/zinc/10/06/19/247100619.db2.gz KCAYCKREQMCLML-CQSZACIVSA-N 2 1 350.488 0.385 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)C2)C1 ZINC000423664872 247101939 /nfs/dbraw/zinc/10/19/39/247101939.db2.gz GYMPPRBGEHRGDI-HXUWFJFHSA-N 2 1 358.486 0.918 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000423745016 247138219 /nfs/dbraw/zinc/13/82/19/247138219.db2.gz NEYIJVZCJSILHP-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000423902162 247148580 /nfs/dbraw/zinc/14/85/80/247148580.db2.gz UTDGYJKAGRXENQ-CJNGLKHVSA-N 2 1 351.422 0.964 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000423902162 247148585 /nfs/dbraw/zinc/14/85/85/247148585.db2.gz UTDGYJKAGRXENQ-CJNGLKHVSA-N 2 1 351.422 0.964 20 0 FCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423921774 247150618 /nfs/dbraw/zinc/15/06/18/247150618.db2.gz IQKPXSUSSBLZSI-XUXIUFHCSA-N 2 1 352.458 0.901 20 0 FCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423925701 247150736 /nfs/dbraw/zinc/15/07/36/247150736.db2.gz NVZXAZJWLSSJIW-OSFYFWSMSA-N 2 1 352.458 0.949 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc[nH+]1 ZINC000423923022 247150989 /nfs/dbraw/zinc/15/09/89/247150989.db2.gz KMNMGLPEIYSRFA-NUXNZHGMSA-N 2 1 362.453 0.575 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000423915015 247151154 /nfs/dbraw/zinc/15/11/54/247151154.db2.gz ARHLBOFUUWOLOG-RFGFWPKPSA-N 2 1 350.442 0.703 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000423702000 247115523 /nfs/dbraw/zinc/11/55/23/247115523.db2.gz XOIACJOMQDUCEQ-BBWFWOEESA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000423702000 247115528 /nfs/dbraw/zinc/11/55/28/247115528.db2.gz XOIACJOMQDUCEQ-BBWFWOEESA-N 2 1 368.522 0.674 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423703857 247117325 /nfs/dbraw/zinc/11/73/25/247117325.db2.gz LBJLCUYQAZNCNX-RBUKOAKNSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423703857 247117330 /nfs/dbraw/zinc/11/73/30/247117330.db2.gz LBJLCUYQAZNCNX-RBUKOAKNSA-N 2 1 372.513 0.830 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423713820 247119836 /nfs/dbraw/zinc/11/98/36/247119836.db2.gz WNJLFGWXNRQRMG-SQNIBIBYSA-N 2 1 356.470 0.527 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[C@H]1C[NH3+] ZINC000423724379 247127338 /nfs/dbraw/zinc/12/73/38/247127338.db2.gz HBQBEWNAFMNZGY-ZBFHGGJFSA-N 2 1 361.490 0.787 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000423737803 247132797 /nfs/dbraw/zinc/13/27/97/247132797.db2.gz PXXWNAHEQUBZMO-JKSUJKDBSA-N 2 1 368.522 0.389 20 0 FCADMP Cn1cc(N2CC[C@H]([NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)C2=O)cn1 ZINC000424294465 247195004 /nfs/dbraw/zinc/19/50/04/247195004.db2.gz QMPSQXMGBWCYMQ-INIZCTEOSA-N 2 1 355.446 0.662 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000424225808 247179672 /nfs/dbraw/zinc/17/96/72/247179672.db2.gz NMSZZKQRROGCSQ-YGTYDBBMSA-N 2 1 363.506 0.807 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424491469 247237629 /nfs/dbraw/zinc/23/76/29/247237629.db2.gz DKVYUPCNNOEONY-WZGPROSRSA-N 2 1 370.497 0.915 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424491470 247238015 /nfs/dbraw/zinc/23/80/15/247238015.db2.gz DKVYUPCNNOEONY-XGXHKWSGSA-N 2 1 370.497 0.915 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000424430605 247214210 /nfs/dbraw/zinc/21/42/10/247214210.db2.gz CPRVAQFWNMTTHQ-UHFFFAOYSA-N 2 1 363.506 0.965 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000424444568 247216989 /nfs/dbraw/zinc/21/69/89/247216989.db2.gz CPWIOPZDCIZOGW-OAHLLOKOSA-N 2 1 361.490 0.392 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424542991 247257280 /nfs/dbraw/zinc/25/72/80/247257280.db2.gz JCJYCDNDXPSARE-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000424552300 247262788 /nfs/dbraw/zinc/26/27/88/247262788.db2.gz XKZSWSZYDSTKTC-HUUCEWRRSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@@H]1C ZINC000425396794 247335557 /nfs/dbraw/zinc/33/55/57/247335557.db2.gz ZHYSHNSHOQTOBG-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H]1C ZINC000425396794 247335561 /nfs/dbraw/zinc/33/55/61/247335561.db2.gz ZHYSHNSHOQTOBG-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H]1C ZINC000425396794 247335564 /nfs/dbraw/zinc/33/55/64/247335564.db2.gz ZHYSHNSHOQTOBG-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000436321973 248039166 /nfs/dbraw/zinc/03/91/66/248039166.db2.gz LYZSTAQCNHHMOL-MRXNPFEDSA-N 2 1 358.527 0.831 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484972 248041557 /nfs/dbraw/zinc/04/15/57/248041557.db2.gz FCTWZJNHJMPFEA-AWEZNQCLSA-N 2 1 352.483 0.754 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000436053262 248029152 /nfs/dbraw/zinc/02/91/52/248029152.db2.gz FFJIHKQGKUTQQW-KRWDZBQOSA-N 2 1 364.465 0.804 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000436053262 248029156 /nfs/dbraw/zinc/02/91/56/248029156.db2.gz FFJIHKQGKUTQQW-KRWDZBQOSA-N 2 1 364.465 0.804 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000436060718 248030663 /nfs/dbraw/zinc/03/06/63/248030663.db2.gz FVPPWXBDKPTTAU-QGZVFWFLSA-N 3 1 365.522 0.049 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000436060718 248030666 /nfs/dbraw/zinc/03/06/66/248030666.db2.gz FVPPWXBDKPTTAU-QGZVFWFLSA-N 3 1 365.522 0.049 20 0 FCADMP Cc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436063612 248031378 /nfs/dbraw/zinc/03/13/78/248031378.db2.gz UPCFSLHIZCZFQW-GOSISDBHSA-N 2 1 360.502 0.973 20 0 FCADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436063612 248031380 /nfs/dbraw/zinc/03/13/80/248031380.db2.gz UPCFSLHIZCZFQW-GOSISDBHSA-N 2 1 360.502 0.973 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440982064 248229302 /nfs/dbraw/zinc/22/93/02/248229302.db2.gz PNBKXYLSYRKRJM-KRWDZBQOSA-N 2 1 368.570 0.338 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440982064 248229304 /nfs/dbraw/zinc/22/93/04/248229304.db2.gz PNBKXYLSYRKRJM-KRWDZBQOSA-N 2 1 368.570 0.338 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440982064 248229308 /nfs/dbraw/zinc/22/93/08/248229308.db2.gz PNBKXYLSYRKRJM-KRWDZBQOSA-N 2 1 368.570 0.338 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](CC[NH3+])C2)CC1=O ZINC000442618078 248293392 /nfs/dbraw/zinc/29/33/92/248293392.db2.gz NXHXBPXXHNTWBS-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771510 248296958 /nfs/dbraw/zinc/29/69/58/248296958.db2.gz TZAJNQGMZRHXAK-SJORKVTESA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771510 248296962 /nfs/dbraw/zinc/29/69/62/248296962.db2.gz TZAJNQGMZRHXAK-SJORKVTESA-N 2 1 360.502 0.804 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443072477 248305805 /nfs/dbraw/zinc/30/58/05/248305805.db2.gz NNTPSEWKUUFCQM-HNNXBMFYSA-N 2 1 368.503 0.054 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000443234982 248313685 /nfs/dbraw/zinc/31/36/85/248313685.db2.gz SAWQLVPUFRCQJU-LSDHHAIUSA-N 2 1 355.527 0.849 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000443633592 248334349 /nfs/dbraw/zinc/33/43/49/248334349.db2.gz WAEASMFXSNQIEZ-NVXWUHKLSA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000443633592 248334351 /nfs/dbraw/zinc/33/43/51/248334351.db2.gz WAEASMFXSNQIEZ-NVXWUHKLSA-N 2 1 367.538 0.959 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000444176401 248349741 /nfs/dbraw/zinc/34/97/41/248349741.db2.gz PDXFJKCMJRXDNW-YLJYHZDGSA-N 2 1 356.470 0.690 20 0 FCADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000444353837 248355829 /nfs/dbraw/zinc/35/58/29/248355829.db2.gz RXYNTKJNVTXUPE-MAUKXSAKSA-N 2 1 353.507 0.933 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)CSCC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000452971407 249338196 /nfs/dbraw/zinc/33/81/96/249338196.db2.gz HGEAHBAMLRAHGI-SYMSYNOKSA-N 2 1 366.531 0.045 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000452971407 249338200 /nfs/dbraw/zinc/33/82/00/249338200.db2.gz HGEAHBAMLRAHGI-SYMSYNOKSA-N 2 1 366.531 0.045 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000452971407 249338203 /nfs/dbraw/zinc/33/82/03/249338203.db2.gz HGEAHBAMLRAHGI-SYMSYNOKSA-N 2 1 366.531 0.045 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271013232 211318201 /nfs/dbraw/zinc/31/82/01/211318201.db2.gz MYVWHBSAYVEIRH-FQEVSTJZSA-N 2 1 374.529 0.867 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058226 249845396 /nfs/dbraw/zinc/84/53/96/249845396.db2.gz QTVNETSFXLCAAZ-DOTOQJQBSA-N 2 1 366.506 0.251 20 0 FCADMP COCC[NH+]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000270725453 211255412 /nfs/dbraw/zinc/25/54/12/211255412.db2.gz XHUJQJOLRFBKCF-UHFFFAOYSA-N 2 1 365.478 0.496 20 0 FCADMP COC(=O)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@H]1C ZINC000469999498 250018832 /nfs/dbraw/zinc/01/88/32/250018832.db2.gz LDBDLYQBUJYXJQ-SYMSYNOKSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@H]1C ZINC000469999498 250018837 /nfs/dbraw/zinc/01/88/37/250018837.db2.gz LDBDLYQBUJYXJQ-SYMSYNOKSA-N 2 1 368.474 0.770 20 0 FCADMP COC(=O)[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C(=O)OC)[C@H]3C)COC2)[C@H]1C ZINC000469999498 250018841 /nfs/dbraw/zinc/01/88/41/250018841.db2.gz LDBDLYQBUJYXJQ-SYMSYNOKSA-N 2 1 368.474 0.770 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000471470802 250103651 /nfs/dbraw/zinc/10/36/51/250103651.db2.gz JYJZLWSSUSWUES-OAGGEKHMSA-N 2 1 369.510 0.077 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCOCC[NH+](C)C)C[C@@H](C)O1 ZINC000471644239 250110900 /nfs/dbraw/zinc/11/09/00/250110900.db2.gz UMXBSDIFOWSVMY-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854661 250121045 /nfs/dbraw/zinc/12/10/45/250121045.db2.gz CABOBIJAFPWMAK-ZWKOTPCHSA-N 2 1 358.486 0.617 20 0 FCADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854661 250121047 /nfs/dbraw/zinc/12/10/47/250121047.db2.gz CABOBIJAFPWMAK-ZWKOTPCHSA-N 2 1 358.486 0.617 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472278277 250143855 /nfs/dbraw/zinc/14/38/55/250143855.db2.gz NZMDGJBDBIRIAN-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472985990 250191882 /nfs/dbraw/zinc/19/18/82/250191882.db2.gz BYXHUTBRHGCDRW-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP CC[N@@H+]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480675395 250277895 /nfs/dbraw/zinc/27/78/95/250277895.db2.gz MFCLYQSDHVMDLO-UHFFFAOYSA-N 2 1 357.524 0.778 20 0 FCADMP CC[N@H+]1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000480675395 250277899 /nfs/dbraw/zinc/27/78/99/250277899.db2.gz MFCLYQSDHVMDLO-UHFFFAOYSA-N 2 1 357.524 0.778 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930870 250298928 /nfs/dbraw/zinc/29/89/28/250298928.db2.gz IQRVRRKWEUAOKX-XHSDSOJGSA-N 2 1 356.511 0.163 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481700374 250350070 /nfs/dbraw/zinc/35/00/70/250350070.db2.gz ZBFNMTFLAHBVRB-SJLPKXTDSA-N 2 1 371.595 0.997 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000481769103 250357547 /nfs/dbraw/zinc/35/75/47/250357547.db2.gz JMOCNYNFEQQRFT-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000481769103 250357552 /nfs/dbraw/zinc/35/75/52/250357552.db2.gz JMOCNYNFEQQRFT-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000481769103 250357555 /nfs/dbraw/zinc/35/75/55/250357555.db2.gz JMOCNYNFEQQRFT-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000269702099 211050477 /nfs/dbraw/zinc/05/04/77/211050477.db2.gz MDWNYQNZUSVKCV-SWLSCSKDSA-N 2 1 365.453 0.348 20 0 FCADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000269702101 211050187 /nfs/dbraw/zinc/05/01/87/211050187.db2.gz MDWNYQNZUSVKCV-WFASDCNBSA-N 2 1 365.453 0.348 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413298994 532996904 /nfs/dbraw/zinc/99/69/04/532996904.db2.gz LCBBVHOMUNYMDJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298994 532996910 /nfs/dbraw/zinc/99/69/10/532996910.db2.gz LCBBVHOMUNYMDJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298994 532996914 /nfs/dbraw/zinc/99/69/14/532996914.db2.gz LCBBVHOMUNYMDJ-HUUCEWRRSA-N 2 1 352.479 0.750 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000066568114 208020465 /nfs/dbraw/zinc/02/04/65/208020465.db2.gz FVBOLLJRLOJXOQ-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1=O ZINC000074227535 208055737 /nfs/dbraw/zinc/05/57/37/208055737.db2.gz JAXVRWXKIQXIJD-HNNXBMFYSA-N 2 1 364.515 0.633 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+]2CCc3sccc3C2)CC1=O ZINC000074227535 208055743 /nfs/dbraw/zinc/05/57/43/208055743.db2.gz JAXVRWXKIQXIJD-HNNXBMFYSA-N 2 1 364.515 0.633 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000105137429 208194320 /nfs/dbraw/zinc/19/43/20/208194320.db2.gz RKXHZCDOVJHLKW-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216233 208293502 /nfs/dbraw/zinc/29/35/02/208293502.db2.gz MFFODABXOFVUIK-QZTJIDSGSA-N 2 1 368.522 0.851 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000117024867 208339162 /nfs/dbraw/zinc/33/91/62/208339162.db2.gz ABUOZSMFJRFZMZ-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000412569821 533092155 /nfs/dbraw/zinc/09/21/55/533092155.db2.gz INCYNCJKWAPMHM-QGZVFWFLSA-N 2 1 362.474 0.964 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178099190 209041730 /nfs/dbraw/zinc/04/17/30/209041730.db2.gz QNPOYRGQBVCYLC-QGZVFWFLSA-N 2 1 374.485 0.867 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000180046418 209090270 /nfs/dbraw/zinc/09/02/70/209090270.db2.gz JLAAGXPZEAMHTH-OAHLLOKOSA-N 2 1 362.478 0.689 20 0 FCADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178675801 209058688 /nfs/dbraw/zinc/05/86/88/209058688.db2.gz WWGXCAGPFVNNJQ-CQSZACIVSA-N 2 1 368.503 0.409 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+](C)C1 ZINC000413483317 533479512 /nfs/dbraw/zinc/47/95/12/533479512.db2.gz AAPNEKUQEGLKGE-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483317 533479518 /nfs/dbraw/zinc/47/95/18/533479518.db2.gz AAPNEKUQEGLKGE-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483317 533479523 /nfs/dbraw/zinc/47/95/23/533479523.db2.gz AAPNEKUQEGLKGE-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+](C)C1 ZINC000413511823 533479761 /nfs/dbraw/zinc/47/97/61/533479761.db2.gz XEDGAEWXNNXKKE-LSDHHAIUSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511823 533479763 /nfs/dbraw/zinc/47/97/63/533479763.db2.gz XEDGAEWXNNXKKE-LSDHHAIUSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511823 533479768 /nfs/dbraw/zinc/47/97/68/533479768.db2.gz XEDGAEWXNNXKKE-LSDHHAIUSA-N 2 1 354.495 0.853 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000186913963 229238686 /nfs/dbraw/zinc/23/86/86/229238686.db2.gz GARWKDBLEWNWMW-OAHLLOKOSA-N 2 1 364.490 0.939 20 0 FCADMP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410454970 230086820 /nfs/dbraw/zinc/08/68/20/230086820.db2.gz YTVAZNZTWIJSST-GOSISDBHSA-N 2 1 360.502 0.936 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000410469673 230090900 /nfs/dbraw/zinc/09/09/00/230090900.db2.gz CSLADKUDGVBOPB-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410475690 230095753 /nfs/dbraw/zinc/09/57/53/230095753.db2.gz NLFFZJJIKIUBAI-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410781316 230245809 /nfs/dbraw/zinc/24/58/09/230245809.db2.gz BSMXERTYRGSBHB-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000480073091 484100008 /nfs/dbraw/zinc/10/00/08/484100008.db2.gz ZFNGNGPSZHRPRJ-GOSISDBHSA-N 2 1 362.478 0.328 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000515410804 484152162 /nfs/dbraw/zinc/15/21/62/484152162.db2.gz QTMLLDAOOSMPGA-AWEZNQCLSA-N 2 1 362.478 0.546 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000562793809 491189759 /nfs/dbraw/zinc/18/97/59/491189759.db2.gz FARPGXRZWKUMJV-MJGOQNOKSA-N 2 1 374.533 0.400 20 0 FCADMP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312041188 488895470 /nfs/dbraw/zinc/89/54/70/488895470.db2.gz WHQILHXQHIXDBD-ZWKOTPCHSA-N 2 1 356.470 0.399 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921606 488892789 /nfs/dbraw/zinc/89/27/89/488892789.db2.gz OTJCVRARSNBJCL-CRAIPNDOSA-N 2 1 363.506 0.940 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000287977589 488928205 /nfs/dbraw/zinc/92/82/05/488928205.db2.gz VJTROGLQDFPUCS-JJRVBVJISA-N 2 1 362.478 0.723 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000288101370 488943331 /nfs/dbraw/zinc/94/33/31/488943331.db2.gz ATTGENWYYVKHEK-HNNXBMFYSA-N 2 1 350.463 0.861 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364373382 488952794 /nfs/dbraw/zinc/95/27/94/488952794.db2.gz DQLQVGKYPYPFAH-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000288272606 488963985 /nfs/dbraw/zinc/96/39/85/488963985.db2.gz UVEPCHBXRMIBCD-HNNXBMFYSA-N 2 1 361.490 0.833 20 0 FCADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000051958035 488152086 /nfs/dbraw/zinc/15/20/86/488152086.db2.gz PHTPHTGOQQVBLX-UHFFFAOYSA-N 2 1 366.384 0.419 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000066651189 488334398 /nfs/dbraw/zinc/33/43/98/488334398.db2.gz IVIZAWXRBAIUJU-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000066651189 488334400 /nfs/dbraw/zinc/33/44/00/488334400.db2.gz IVIZAWXRBAIUJU-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000066916824 488340185 /nfs/dbraw/zinc/34/01/85/488340185.db2.gz UNYGIPLHLSLTFZ-OAHLLOKOSA-N 2 1 357.524 0.940 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000067614100 488353359 /nfs/dbraw/zinc/35/33/59/488353359.db2.gz ZXQSTUYCMRWYAO-QZTJIDSGSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+]1CCCCC1 ZINC000069410106 488372559 /nfs/dbraw/zinc/37/25/59/488372559.db2.gz LLKIBRAIAKTCJM-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562828011 491194197 /nfs/dbraw/zinc/19/41/97/491194197.db2.gz BLTBQZYURIRNRR-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562828011 491194198 /nfs/dbraw/zinc/19/41/98/491194198.db2.gz BLTBQZYURIRNRR-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562828007 491194205 /nfs/dbraw/zinc/19/42/05/491194205.db2.gz BLTBQZYURIRNRR-NJAFHUGGSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562828007 491194206 /nfs/dbraw/zinc/19/42/06/491194206.db2.gz BLTBQZYURIRNRR-NJAFHUGGSA-N 2 1 374.485 0.260 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000073617471 488385219 /nfs/dbraw/zinc/38/52/19/488385219.db2.gz QFYDWNQGNOXXCQ-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602911 488385239 /nfs/dbraw/zinc/38/52/39/488385239.db2.gz OAXUZHMLVWZGSP-MJGOQNOKSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602911 488385240 /nfs/dbraw/zinc/38/52/40/488385240.db2.gz OAXUZHMLVWZGSP-MJGOQNOKSA-N 2 1 360.502 0.376 20 0 FCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000073651085 488385617 /nfs/dbraw/zinc/38/56/17/488385617.db2.gz KYHRRTHHZMILGZ-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000073651085 488385618 /nfs/dbraw/zinc/38/56/18/488385618.db2.gz KYHRRTHHZMILGZ-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@H](CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182708945 488389451 /nfs/dbraw/zinc/38/94/51/488389451.db2.gz JIFRUVOTVDTGHR-AEFFLSMTSA-N 2 1 356.511 0.633 20 0 FCADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000182782518 488389845 /nfs/dbraw/zinc/38/98/45/488389845.db2.gz MHHMACRWCIJJIA-CQSZACIVSA-N 2 1 355.504 0.891 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864123 488394527 /nfs/dbraw/zinc/39/45/27/488394527.db2.gz WYKVGZZAJFPHHV-HNNXBMFYSA-N 2 1 364.498 0.566 20 0 FCADMP CC(C)(CC(N)=O)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000186213380 488405154 /nfs/dbraw/zinc/40/51/54/488405154.db2.gz LQZNVCSTVATXAA-UHFFFAOYSA-N 2 1 354.495 0.381 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000186623145 488407203 /nfs/dbraw/zinc/40/72/03/488407203.db2.gz IDZCKTABXMKJBD-INIZCTEOSA-N 2 1 367.519 0.696 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000187354683 488410061 /nfs/dbraw/zinc/41/00/61/488410061.db2.gz DVTSNFZYRUEVNW-UHFFFAOYSA-N 2 1 370.538 0.883 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000077786809 488418394 /nfs/dbraw/zinc/41/83/94/488418394.db2.gz PXMWJZYHWWRTFW-UHFFFAOYSA-N 2 1 352.504 0.862 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000077786809 488418397 /nfs/dbraw/zinc/41/83/97/488418397.db2.gz PXMWJZYHWWRTFW-UHFFFAOYSA-N 2 1 352.504 0.862 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000192595422 488423198 /nfs/dbraw/zinc/42/31/98/488423198.db2.gz LMAPGDDGSKPCPH-GFCCVEGCSA-N 2 1 357.524 0.823 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000569843002 491197287 /nfs/dbraw/zinc/19/72/87/491197287.db2.gz RRCHTMOOOYLMLD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000569843002 491197289 /nfs/dbraw/zinc/19/72/89/491197289.db2.gz RRCHTMOOOYLMLD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000569843002 491197293 /nfs/dbraw/zinc/19/72/93/491197293.db2.gz RRCHTMOOOYLMLD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078562399 488423338 /nfs/dbraw/zinc/42/33/38/488423338.db2.gz GSJKSGKJMDQDQY-GOSISDBHSA-N 2 1 373.501 0.771 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078562399 488423340 /nfs/dbraw/zinc/42/33/40/488423340.db2.gz GSJKSGKJMDQDQY-GOSISDBHSA-N 2 1 373.501 0.771 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C1(C(=O)NCCn2cc[nH+]c2C)CCC1 ZINC000268553684 488430666 /nfs/dbraw/zinc/43/06/66/488430666.db2.gz MZXLAPFUNQCVRO-UHFFFAOYSA-N 2 1 358.446 0.799 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000079615536 488431173 /nfs/dbraw/zinc/43/11/73/488431173.db2.gz HAUVWQCIDAIJJL-UHFFFAOYSA-N 2 1 367.538 0.959 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000079615536 488431174 /nfs/dbraw/zinc/43/11/74/488431174.db2.gz HAUVWQCIDAIJJL-UHFFFAOYSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000194144946 488431344 /nfs/dbraw/zinc/43/13/44/488431344.db2.gz RQKWUBGOVWOVRD-APWZRJJASA-N 2 1 367.538 0.960 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)CN1CCNCC1=O)N1CCCCC1 ZINC000237256894 488454782 /nfs/dbraw/zinc/45/47/82/488454782.db2.gz CYDYEMVDUGOALX-KRWDZBQOSA-N 2 1 374.485 0.770 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)CC1 ZINC000237191343 488455016 /nfs/dbraw/zinc/45/50/16/488455016.db2.gz XTLQKSBVUTXTDY-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000269256385 488483375 /nfs/dbraw/zinc/48/33/75/488483375.db2.gz JZOGMTKJCQJWKF-ZWKOTPCHSA-N 2 1 374.485 0.379 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000269263483 488483894 /nfs/dbraw/zinc/48/38/94/488483894.db2.gz XKSZORJSNXESFA-IRXDYDNUSA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000269263483 488483896 /nfs/dbraw/zinc/48/38/96/488483896.db2.gz XKSZORJSNXESFA-IRXDYDNUSA-N 2 1 360.458 0.843 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000247598288 488488637 /nfs/dbraw/zinc/48/86/37/488488637.db2.gz KPBZGWXXHCLBOX-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269301894 488489281 /nfs/dbraw/zinc/48/92/81/488489281.db2.gz RCQPXJVYISYGCX-SFHVURJKSA-N 2 1 362.474 0.630 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000101764849 488496246 /nfs/dbraw/zinc/49/62/46/488496246.db2.gz WTUZPSKKUWIBQK-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000102048626 488497221 /nfs/dbraw/zinc/49/72/21/488497221.db2.gz BLEYWHKRGNIVCE-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102050405 488497239 /nfs/dbraw/zinc/49/72/39/488497239.db2.gz MLRNLLGNARAXQT-QGZVFWFLSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049266 488497529 /nfs/dbraw/zinc/49/75/29/488497529.db2.gz WBPPURCXGMENPL-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049266 488497530 /nfs/dbraw/zinc/49/75/30/488497530.db2.gz WBPPURCXGMENPL-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049266 488497532 /nfs/dbraw/zinc/49/75/32/488497532.db2.gz WBPPURCXGMENPL-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103306745 488500927 /nfs/dbraw/zinc/50/09/27/488500927.db2.gz MJCHCJJJOVOKSA-INIZCTEOSA-N 2 1 363.506 0.420 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103614542 488503150 /nfs/dbraw/zinc/50/31/50/488503150.db2.gz OADFRLYMWIRXQW-QGZVFWFLSA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103605534 488503259 /nfs/dbraw/zinc/50/32/59/488503259.db2.gz XMAKJACYFHECAU-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000249132366 488506865 /nfs/dbraw/zinc/50/68/65/488506865.db2.gz SWFBVBRQHULRBM-JYJNAYRXSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000249132366 488506866 /nfs/dbraw/zinc/50/68/66/488506866.db2.gz SWFBVBRQHULRBM-JYJNAYRXSA-N 2 1 356.511 0.582 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249119844 488506893 /nfs/dbraw/zinc/50/68/93/488506893.db2.gz PHQDTGHRFOKRDM-IRXDYDNUSA-N 2 1 370.538 0.830 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105223186 488508437 /nfs/dbraw/zinc/50/84/37/488508437.db2.gz MGCLHJUCZBEZOG-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108570863 488520273 /nfs/dbraw/zinc/52/02/73/488520273.db2.gz CGLYRPCBHZHFQE-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108570863 488520274 /nfs/dbraw/zinc/52/02/74/488520274.db2.gz CGLYRPCBHZHFQE-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108570863 488520275 /nfs/dbraw/zinc/52/02/75/488520275.db2.gz CGLYRPCBHZHFQE-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558700 488527060 /nfs/dbraw/zinc/52/70/60/488527060.db2.gz HVEDNUXFDMCBDI-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)CC1=O ZINC000261635167 488528399 /nfs/dbraw/zinc/52/83/99/488528399.db2.gz BGHROVBTPUKAEB-WBVHZDCISA-N 2 1 362.449 0.709 20 0 FCADMP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755814 488534854 /nfs/dbraw/zinc/53/48/54/488534854.db2.gz FLXNTSPRMIBYHD-OIISXLGYSA-N 2 1 374.489 0.106 20 0 FCADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755814 488534856 /nfs/dbraw/zinc/53/48/56/488534856.db2.gz FLXNTSPRMIBYHD-OIISXLGYSA-N 2 1 374.489 0.106 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261847333 488538080 /nfs/dbraw/zinc/53/80/80/488538080.db2.gz MARVDZWSBZVUBB-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261847333 488538082 /nfs/dbraw/zinc/53/80/82/488538082.db2.gz MARVDZWSBZVUBB-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261847628 488538448 /nfs/dbraw/zinc/53/84/48/488538448.db2.gz MDWASASEQYXCCZ-NVXWUHKLSA-N 2 1 369.469 0.775 20 0 FCADMP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261871350 488539603 /nfs/dbraw/zinc/53/96/03/488539603.db2.gz SZTXPLGWMZLYHC-IBGZPJMESA-N 2 1 374.485 0.201 20 0 FCADMP O=C(CC[C@@H]1CC[NH2+]C1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261912740 488541643 /nfs/dbraw/zinc/54/16/43/488541643.db2.gz WQDKSFXVIJEPLA-QGZVFWFLSA-N 2 1 358.486 0.837 20 0 FCADMP O=C(CC[C@H]1CC[NH2+]C1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261912739 488541830 /nfs/dbraw/zinc/54/18/30/488541830.db2.gz WQDKSFXVIJEPLA-KRWDZBQOSA-N 2 1 358.486 0.837 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115799363 488545118 /nfs/dbraw/zinc/54/51/18/488545118.db2.gz PUTGKZAICNNDTF-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115799363 488545121 /nfs/dbraw/zinc/54/51/21/488545121.db2.gz PUTGKZAICNNDTF-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115799366 488545180 /nfs/dbraw/zinc/54/51/80/488545180.db2.gz PUTGKZAICNNDTF-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115799366 488545182 /nfs/dbraw/zinc/54/51/82/488545182.db2.gz PUTGKZAICNNDTF-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000262018598 488546623 /nfs/dbraw/zinc/54/66/23/488546623.db2.gz OOMQQGNORPRLCK-PBHICJAKSA-N 2 1 360.458 0.909 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790922 488558632 /nfs/dbraw/zinc/55/86/32/488558632.db2.gz PFGXETMDNCNXFM-IRXDYDNUSA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790922 488558633 /nfs/dbraw/zinc/55/86/33/488558633.db2.gz PFGXETMDNCNXFM-IRXDYDNUSA-N 2 1 367.538 0.851 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000119790922 488558634 /nfs/dbraw/zinc/55/86/34/488558634.db2.gz PFGXETMDNCNXFM-IRXDYDNUSA-N 2 1 367.538 0.851 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000120913138 488563759 /nfs/dbraw/zinc/56/37/59/488563759.db2.gz XGODVOBGVNHNGO-MRXNPFEDSA-N 2 1 364.494 0.810 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000120913138 488563760 /nfs/dbraw/zinc/56/37/60/488563760.db2.gz XGODVOBGVNHNGO-MRXNPFEDSA-N 2 1 364.494 0.810 20 0 FCADMP COC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]CC1 ZINC000262649167 488584573 /nfs/dbraw/zinc/58/45/73/488584573.db2.gz KXLVKCDNKSUXST-INIZCTEOSA-N 2 1 360.458 0.843 20 0 FCADMP COC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]CC1 ZINC000262649167 488584575 /nfs/dbraw/zinc/58/45/75/488584575.db2.gz KXLVKCDNKSUXST-INIZCTEOSA-N 2 1 360.458 0.843 20 0 FCADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2csc(C[NH3+])n2)cc1 ZINC000262665953 488585429 /nfs/dbraw/zinc/58/54/29/488585429.db2.gz JTBROMRTOMOFBR-UHFFFAOYSA-N 2 1 361.471 0.823 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573284 488602432 /nfs/dbraw/zinc/60/24/32/488602432.db2.gz VNYXIIVCTXJPKO-INIZCTEOSA-N 2 1 374.489 0.371 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000134105400 488664369 /nfs/dbraw/zinc/66/43/69/488664369.db2.gz VXRNCLOGQNTSKP-OAHLLOKOSA-N 2 1 354.520 0.190 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554662774 491216500 /nfs/dbraw/zinc/21/65/00/491216500.db2.gz XYSIUJTWJDCFFE-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000136331682 488677248 /nfs/dbraw/zinc/67/72/48/488677248.db2.gz FZIMAONYLVVNAZ-KRWDZBQOSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C1CC1 ZINC000138949952 488683150 /nfs/dbraw/zinc/68/31/50/488683150.db2.gz OAIRQSULTFEVIA-HOCLYGCPSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[N@H+](C)C1CC1 ZINC000138949952 488683152 /nfs/dbraw/zinc/68/31/52/488683152.db2.gz OAIRQSULTFEVIA-HOCLYGCPSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[N@@H+](C)C1CC1 ZINC000138949952 488683155 /nfs/dbraw/zinc/68/31/55/488683155.db2.gz OAIRQSULTFEVIA-HOCLYGCPSA-N 2 1 351.495 0.417 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000264717313 488702435 /nfs/dbraw/zinc/70/24/35/488702435.db2.gz KHVCNRKYZKWXAA-QGZVFWFLSA-N 2 1 363.506 0.672 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000264833712 488717471 /nfs/dbraw/zinc/71/74/71/488717471.db2.gz JRYVBTUSYJZXKW-OAHLLOKOSA-N 2 1 362.478 0.168 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146736 491219878 /nfs/dbraw/zinc/21/98/78/491219878.db2.gz OMYOXJBIEGEEIF-IRXDYDNUSA-N 2 1 368.522 0.740 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563142455 491220439 /nfs/dbraw/zinc/22/04/39/491220439.db2.gz OJELBPBKEHDEOF-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000275212166 488773480 /nfs/dbraw/zinc/77/34/80/488773480.db2.gz IDFPABSSIWEGMM-AWEZNQCLSA-N 2 1 368.503 0.491 20 0 FCADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000275212166 488773482 /nfs/dbraw/zinc/77/34/82/488773482.db2.gz IDFPABSSIWEGMM-AWEZNQCLSA-N 2 1 368.503 0.491 20 0 FCADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000161798389 488798772 /nfs/dbraw/zinc/79/87/72/488798772.db2.gz KSGJDOXTJSIBCZ-ZWKOTPCHSA-N 2 1 369.554 0.765 20 0 FCADMP COC(=O)[C@@]1(F)CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000267618258 488805069 /nfs/dbraw/zinc/80/50/69/488805069.db2.gz CWOVUTKBWUPCAX-GOSISDBHSA-N 2 1 364.421 0.707 20 0 FCADMP C[C@]([NH2+]CCC(=O)N1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000563153620 491222556 /nfs/dbraw/zinc/22/25/56/491222556.db2.gz BFZFSAXKHKHWMS-MRXNPFEDSA-N 2 1 372.391 0.817 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000570184268 491222547 /nfs/dbraw/zinc/22/25/47/491222547.db2.gz ALYPMFIDQXXJMY-HNNXBMFYSA-N 2 1 366.506 0.062 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[NH2+]CCOC)CC2)CC1 ZINC000167819134 488812460 /nfs/dbraw/zinc/81/24/60/488812460.db2.gz CLUFHLYZKVLGJA-UHFFFAOYSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000171040636 488819361 /nfs/dbraw/zinc/81/93/61/488819361.db2.gz QLTWCQNZJCPNMF-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171195291 488820679 /nfs/dbraw/zinc/82/06/79/488820679.db2.gz RAOMJJHSIUCJQL-UHFFFAOYSA-N 2 1 364.494 0.211 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000172307306 488832437 /nfs/dbraw/zinc/83/24/37/488832437.db2.gz JAGWPVLCXNGOLB-UHFFFAOYSA-N 2 1 361.490 0.835 20 0 FCADMP CC[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000172307306 488832438 /nfs/dbraw/zinc/83/24/38/488832438.db2.gz JAGWPVLCXNGOLB-UHFFFAOYSA-N 2 1 361.490 0.835 20 0 FCADMP CC[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000172307306 488832439 /nfs/dbraw/zinc/83/24/39/488832439.db2.gz JAGWPVLCXNGOLB-UHFFFAOYSA-N 2 1 361.490 0.835 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000172541114 488835100 /nfs/dbraw/zinc/83/51/00/488835100.db2.gz YOAXMLZBFYYHSB-QGZVFWFLSA-N 2 1 365.522 0.810 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174165175 488847625 /nfs/dbraw/zinc/84/76/25/488847625.db2.gz HXUXTTGOZRSSMA-HNNXBMFYSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174254353 488848148 /nfs/dbraw/zinc/84/81/48/488848148.db2.gz STKHRCGRDTVOAJ-INIZCTEOSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174254353 488848149 /nfs/dbraw/zinc/84/81/49/488848149.db2.gz STKHRCGRDTVOAJ-INIZCTEOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000174292321 488848283 /nfs/dbraw/zinc/84/82/83/488848283.db2.gz NUABXLTUTJFOMJ-ZWKOTPCHSA-N 2 1 351.539 0.997 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000174292336 488848307 /nfs/dbraw/zinc/84/83/07/488848307.db2.gz NUABXLTUTJFOMJ-QZTJIDSGSA-N 2 1 351.539 0.997 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000174285256 488848426 /nfs/dbraw/zinc/84/84/26/488848426.db2.gz CYVYIJSQFWKZQZ-NUJGCVRESA-N 2 1 356.511 0.489 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000174285256 488848427 /nfs/dbraw/zinc/84/84/27/488848427.db2.gz CYVYIJSQFWKZQZ-NUJGCVRESA-N 2 1 356.511 0.489 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000174600364 488850230 /nfs/dbraw/zinc/85/02/30/488850230.db2.gz CCRYREBHWYOMOK-IBGZPJMESA-N 2 1 360.502 0.954 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000174600364 488850231 /nfs/dbraw/zinc/85/02/31/488850231.db2.gz CCRYREBHWYOMOK-IBGZPJMESA-N 2 1 360.502 0.954 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@@H+](C)CCCOC)C2)CC1 ZINC000175738454 488855152 /nfs/dbraw/zinc/85/51/52/488855152.db2.gz ILNNAOZTUGRQBC-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[NH+](C)CCCC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000179497737 488861205 /nfs/dbraw/zinc/86/12/05/488861205.db2.gz AYPULPWSKIDHKW-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP NC(=O)CC[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000181796698 488863800 /nfs/dbraw/zinc/86/38/00/488863800.db2.gz CDJFMNFSEVNUHL-HZPDHXFCSA-N 2 1 368.522 0.302 20 0 FCADMP NC(=O)CC[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000181796698 488863801 /nfs/dbraw/zinc/86/38/01/488863801.db2.gz CDJFMNFSEVNUHL-HZPDHXFCSA-N 2 1 368.522 0.302 20 0 FCADMP COCCOCCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364940997 489021381 /nfs/dbraw/zinc/02/13/81/489021381.db2.gz NSWDWJMTABHDRI-KRWDZBQOSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000570264649 491228893 /nfs/dbraw/zinc/22/88/93/491228893.db2.gz OSHATAWPIFKIGL-DLBZAZTESA-N 2 1 360.506 0.972 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(C(=O)C4CC4)CC3)cn2)CC1 ZINC000329955160 489054267 /nfs/dbraw/zinc/05/42/67/489054267.db2.gz KMSHMBGUBMKAFY-UHFFFAOYSA-N 2 1 358.490 0.719 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322474 489063524 /nfs/dbraw/zinc/06/35/24/489063524.db2.gz AWMIRSFELNIQOA-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000365322474 489063527 /nfs/dbraw/zinc/06/35/27/489063527.db2.gz AWMIRSFELNIQOA-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000365322474 489063529 /nfs/dbraw/zinc/06/35/29/489063529.db2.gz AWMIRSFELNIQOA-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H](C)N1CCOCC1 ZINC000365327477 489064438 /nfs/dbraw/zinc/06/44/38/489064438.db2.gz OUEAZKVJEKXLGQ-OKZBNKHCSA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329756 489091684 /nfs/dbraw/zinc/09/16/84/489091684.db2.gz MWBNITLWYAJTDS-HNNXBMFYSA-N 2 1 360.524 0.185 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329756 489091687 /nfs/dbraw/zinc/09/16/87/489091687.db2.gz MWBNITLWYAJTDS-HNNXBMFYSA-N 2 1 360.524 0.185 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc2)CC1 ZINC000289763965 489091779 /nfs/dbraw/zinc/09/17/79/489091779.db2.gz ICTRDXJMRITOIT-PMACEKPBSA-N 2 1 371.529 0.481 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403879 489192946 /nfs/dbraw/zinc/19/29/46/489192946.db2.gz IVYJSXOPQNRGJO-UXHICEINSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403879 489192947 /nfs/dbraw/zinc/19/29/47/489192947.db2.gz IVYJSXOPQNRGJO-UXHICEINSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403875 489193419 /nfs/dbraw/zinc/19/34/19/489193419.db2.gz IVYJSXOPQNRGJO-PMACEKPBSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403875 489193423 /nfs/dbraw/zinc/19/34/23/489193423.db2.gz IVYJSXOPQNRGJO-PMACEKPBSA-N 2 1 374.529 0.938 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000331376167 489203072 /nfs/dbraw/zinc/20/30/72/489203072.db2.gz DWMCPTNSLOAXNV-FZKCQIBNSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000331376167 489203075 /nfs/dbraw/zinc/20/30/75/489203075.db2.gz DWMCPTNSLOAXNV-FZKCQIBNSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331379897 489203525 /nfs/dbraw/zinc/20/35/25/489203525.db2.gz GECSJXAQINVJIS-NNXHMXCWSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331379895 489203659 /nfs/dbraw/zinc/20/36/59/489203659.db2.gz GECSJXAQINVJIS-BQJWPVKWSA-N 2 1 350.507 0.537 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000367571538 489207611 /nfs/dbraw/zinc/20/76/11/489207611.db2.gz BFNUGTVLZNDUBO-SJLPKXTDSA-N 2 1 352.523 0.770 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ncnc4sccc43)CC2)CC1 ZINC000283056197 489210915 /nfs/dbraw/zinc/21/09/15/489210915.db2.gz JFBBTUSHWVSYJV-UHFFFAOYSA-N 2 1 374.514 0.977 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCCn1ccnc1)[N@H+]1CCc2ccccc2C1 ZINC000283102273 489215470 /nfs/dbraw/zinc/21/54/70/489215470.db2.gz AVINBVNKFQXZJH-MRXNPFEDSA-N 2 1 369.469 0.952 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283225526 489229899 /nfs/dbraw/zinc/22/98/99/489229899.db2.gz ABWWFODWROWOOI-KRWDZBQOSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283225526 489229901 /nfs/dbraw/zinc/22/99/01/489229901.db2.gz ABWWFODWROWOOI-KRWDZBQOSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283225526 489229905 /nfs/dbraw/zinc/22/99/05/489229905.db2.gz ABWWFODWROWOOI-KRWDZBQOSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000332884188 489242703 /nfs/dbraw/zinc/24/27/03/489242703.db2.gz IRBFSLXGMZFFHO-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818964 489279339 /nfs/dbraw/zinc/27/93/39/489279339.db2.gz KNAZXOZNRXVOPL-MHORFTMASA-N 2 1 368.522 0.990 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818964 489279340 /nfs/dbraw/zinc/27/93/40/489279340.db2.gz KNAZXOZNRXVOPL-MHORFTMASA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818964 489279342 /nfs/dbraw/zinc/27/93/42/489279342.db2.gz KNAZXOZNRXVOPL-MHORFTMASA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000369818964 489279344 /nfs/dbraw/zinc/27/93/44/489279344.db2.gz KNAZXOZNRXVOPL-MHORFTMASA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633701 489283672 /nfs/dbraw/zinc/28/36/72/489283672.db2.gz PDCASKXHWBBMMD-CQSZACIVSA-N 2 1 359.478 0.851 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000298130357 489294950 /nfs/dbraw/zinc/29/49/50/489294950.db2.gz XHAAWISTVUVKQQ-UHFFFAOYSA-N 2 1 350.463 0.722 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263621 489308284 /nfs/dbraw/zinc/30/82/84/489308284.db2.gz KXYNRCMSSFWXFY-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263621 489308287 /nfs/dbraw/zinc/30/82/87/489308287.db2.gz KXYNRCMSSFWXFY-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000284263621 489308291 /nfs/dbraw/zinc/30/82/91/489308291.db2.gz KXYNRCMSSFWXFY-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+](CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC000285820461 489322790 /nfs/dbraw/zinc/32/27/90/489322790.db2.gz TUZPMYDDOYNRGL-UHFFFAOYSA-N 2 1 367.515 0.792 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000286030292 489348662 /nfs/dbraw/zinc/34/86/62/489348662.db2.gz RDLFQTZHEFFLFO-MRXNPFEDSA-N 2 1 368.453 0.239 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501164 491244793 /nfs/dbraw/zinc/24/47/93/491244793.db2.gz LBVKPRFNVDCQEJ-RDJZCZTQSA-N 2 1 359.474 0.238 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000563459821 491249440 /nfs/dbraw/zinc/24/94/40/491249440.db2.gz ZHKHEPSEJJQXJM-QZTJIDSGSA-N 2 1 358.486 0.615 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286098115 489356269 /nfs/dbraw/zinc/35/62/69/489356269.db2.gz TWVBTIVRKXXDHW-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286098115 489356273 /nfs/dbraw/zinc/35/62/73/489356273.db2.gz TWVBTIVRKXXDHW-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000370468565 489363825 /nfs/dbraw/zinc/36/38/25/489363825.db2.gz JKVCGOUDNSCULL-YYAJDYIMSA-N 2 1 353.507 0.992 20 0 FCADMP CC(C)n1cc([C@@]2(O)CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000370641636 489384856 /nfs/dbraw/zinc/38/48/56/489384856.db2.gz DVGSMIUDDWKFIK-GOSISDBHSA-N 2 1 364.494 0.307 20 0 FCADMP CC(C)n1cc([C@@]2(O)CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000370641636 489384858 /nfs/dbraw/zinc/38/48/58/489384858.db2.gz DVGSMIUDDWKFIK-GOSISDBHSA-N 2 1 364.494 0.307 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370767303 489399138 /nfs/dbraw/zinc/39/91/38/489399138.db2.gz SQYXTFCKYGEZMK-SFHVURJKSA-N 2 1 364.421 0.723 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858864 489402020 /nfs/dbraw/zinc/40/20/20/489402020.db2.gz GTUPVWQLGPLJCE-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000563544789 491253729 /nfs/dbraw/zinc/25/37/29/491253729.db2.gz UFVVIHPTCJXXIS-RCCFBDPRSA-N 2 1 351.539 0.946 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)nn1 ZINC000570631281 491254344 /nfs/dbraw/zinc/25/43/44/491254344.db2.gz NLRLVNHWNHPJSY-UHFFFAOYSA-N 2 1 371.489 0.350 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000570684969 491258125 /nfs/dbraw/zinc/25/81/25/491258125.db2.gz MVPDRFAWTKWPBY-UHFFFAOYSA-N 2 1 359.536 0.732 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063925 489447646 /nfs/dbraw/zinc/44/76/46/489447646.db2.gz NDTXIPDVSMSRRJ-IRXDYDNUSA-N 2 1 352.479 0.356 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)n1C ZINC000286972710 489448022 /nfs/dbraw/zinc/44/80/22/489448022.db2.gz OUUMKFFKYDTQLP-UHFFFAOYSA-N 2 1 362.478 0.093 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312869 489451115 /nfs/dbraw/zinc/45/11/15/489451115.db2.gz CBAIATIVQDZJKZ-UONOGXRCSA-N 2 1 360.462 0.047 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312869 489451120 /nfs/dbraw/zinc/45/11/20/489451120.db2.gz CBAIATIVQDZJKZ-UONOGXRCSA-N 2 1 360.462 0.047 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+](C)C2CC2)CC1 ZINC000363400720 489463144 /nfs/dbraw/zinc/46/31/44/489463144.db2.gz NMHBXTITHDZKLL-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+](C)C2CC2)CC1 ZINC000363400720 489463147 /nfs/dbraw/zinc/46/31/47/489463147.db2.gz NMHBXTITHDZKLL-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000363400720 489463149 /nfs/dbraw/zinc/46/31/49/489463149.db2.gz NMHBXTITHDZKLL-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000363400720 489463153 /nfs/dbraw/zinc/46/31/53/489463153.db2.gz NMHBXTITHDZKLL-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)CC1 ZINC000363572323 489480371 /nfs/dbraw/zinc/48/03/71/489480371.db2.gz CTSCLEVYXYCKSQ-KDOFPFPSSA-N 2 1 350.463 0.955 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423080327 489492309 /nfs/dbraw/zinc/49/23/09/489492309.db2.gz AABUKCBDUBWXMW-KRWDZBQOSA-N 2 1 368.522 0.533 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000371654447 489493066 /nfs/dbraw/zinc/49/30/66/489493066.db2.gz RSKKGDNYGINSQI-QGZVFWFLSA-N 2 1 365.522 0.273 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371654555 489493976 /nfs/dbraw/zinc/49/39/76/489493976.db2.gz SQQLOLHDGSPUTM-SFHVURJKSA-N 2 1 367.538 0.376 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC3([NH+](C)C)CCOCC3)C2)CC1 ZINC000371676600 489496614 /nfs/dbraw/zinc/49/66/14/489496614.db2.gz ZCTFNBBIKYETTO-MRXNPFEDSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000371676600 489496617 /nfs/dbraw/zinc/49/66/17/489496617.db2.gz ZCTFNBBIKYETTO-MRXNPFEDSA-N 2 1 367.538 0.565 20 0 FCADMP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423150020 489497660 /nfs/dbraw/zinc/49/76/60/489497660.db2.gz YLIHAOIUXHYFGJ-ROUUACIJSA-N 2 1 374.485 0.296 20 0 FCADMP COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000451332493 489499405 /nfs/dbraw/zinc/49/94/05/489499405.db2.gz HLBFUYDFNKLEAH-SFHVURJKSA-N 2 1 355.479 0.487 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000423187151 489500827 /nfs/dbraw/zinc/50/08/27/489500827.db2.gz LZLYFQOEPAXFAL-JEWRLFTDSA-N 2 1 366.506 0.284 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1CC ZINC000423276481 489510840 /nfs/dbraw/zinc/51/08/40/489510840.db2.gz MYDYYIRKXBXEKO-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1CC ZINC000423276481 489510843 /nfs/dbraw/zinc/51/08/43/489510843.db2.gz MYDYYIRKXBXEKO-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@H]1C[NH3+] ZINC000423289548 489512234 /nfs/dbraw/zinc/51/22/34/489512234.db2.gz XNFHOJDATHEYCT-GOEBONIOSA-N 2 1 361.490 0.645 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)[nH+]c1 ZINC000424553170 489516062 /nfs/dbraw/zinc/51/60/62/489516062.db2.gz RBOFNCSMLOXMAD-INIZCTEOSA-N 2 1 373.501 1.299 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000563638015 491260180 /nfs/dbraw/zinc/26/01/80/491260180.db2.gz QXIFQVICXHBJTF-YVSFHVDLSA-N 2 1 357.458 0.385 20 0 FCADMP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000451750139 489521435 /nfs/dbraw/zinc/52/14/35/489521435.db2.gz PWCAQWFIRUVEIT-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000451750139 489521438 /nfs/dbraw/zinc/52/14/38/489521438.db2.gz PWCAQWFIRUVEIT-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1)[NH+]1CCOCC1 ZINC000415466161 489522926 /nfs/dbraw/zinc/52/29/26/489522926.db2.gz GNYLUTYQEXJTBU-WMLDXEAASA-N 2 1 360.458 0.968 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949406 489527554 /nfs/dbraw/zinc/52/75/54/489527554.db2.gz VHDJDTCOOLPUBQ-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000415541734 489528062 /nfs/dbraw/zinc/52/80/62/489528062.db2.gz RZUSLLOYEVULPZ-KRWDZBQOSA-N 2 1 360.458 0.353 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425867075 489535623 /nfs/dbraw/zinc/53/56/23/489535623.db2.gz GUKWZNWIAYMHBP-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425867075 489535625 /nfs/dbraw/zinc/53/56/25/489535625.db2.gz GUKWZNWIAYMHBP-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425867075 489535628 /nfs/dbraw/zinc/53/56/28/489535628.db2.gz GUKWZNWIAYMHBP-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425867073 489535853 /nfs/dbraw/zinc/53/58/53/489535853.db2.gz GUKWZNWIAYMHBP-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425867073 489535856 /nfs/dbraw/zinc/53/58/56/489535856.db2.gz GUKWZNWIAYMHBP-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425867073 489535860 /nfs/dbraw/zinc/53/58/60/489535860.db2.gz GUKWZNWIAYMHBP-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000425874696 489537491 /nfs/dbraw/zinc/53/74/91/489537491.db2.gz DBLJGIWBPGUSML-CQSZACIVSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000425874696 489537494 /nfs/dbraw/zinc/53/74/94/489537494.db2.gz DBLJGIWBPGUSML-CQSZACIVSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000425881614 489539274 /nfs/dbraw/zinc/53/92/74/489539274.db2.gz CWBCTEKLLURZOQ-GDBMZVCRSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000425881614 489539280 /nfs/dbraw/zinc/53/92/80/489539280.db2.gz CWBCTEKLLURZOQ-GDBMZVCRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425880567 489539483 /nfs/dbraw/zinc/53/94/83/489539483.db2.gz KDMKMRNJVXZMHG-HNNXBMFYSA-N 2 1 356.511 0.402 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425880567 489539485 /nfs/dbraw/zinc/53/94/85/489539485.db2.gz KDMKMRNJVXZMHG-HNNXBMFYSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C[C@@H](C)O1 ZINC000415757809 489550617 /nfs/dbraw/zinc/55/06/17/489550617.db2.gz HHWVFAHTZZVKNR-POOHYDRCSA-N 2 1 372.469 0.568 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415831987 489557116 /nfs/dbraw/zinc/55/71/16/489557116.db2.gz PXFHYLWKRCVVPN-CKEIUWERSA-N 2 1 360.458 0.824 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000454093311 489562552 /nfs/dbraw/zinc/56/25/52/489562552.db2.gz JTFCXJMVWOKWBH-OAHLLOKOSA-N 2 1 356.430 1.147 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007256 489567333 /nfs/dbraw/zinc/56/73/33/489567333.db2.gz MLCFDHKYNLWMLL-NWDGAFQWSA-N 2 1 365.400 0.214 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000563697733 491263943 /nfs/dbraw/zinc/26/39/43/491263943.db2.gz QVKLIQFNVVNUIX-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000555671875 491265072 /nfs/dbraw/zinc/26/50/72/491265072.db2.gz QFMVCTVQONAIOD-HNNXBMFYSA-N 2 1 350.463 0.434 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(C)C ZINC000427082187 489594072 /nfs/dbraw/zinc/59/40/72/489594072.db2.gz VWEOPYCZVWVWCQ-UHFFFAOYSA-N 2 1 364.494 0.935 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)C1 ZINC000427291645 489600868 /nfs/dbraw/zinc/60/08/68/489600868.db2.gz IIRIAIZJNCEXNH-AEFFLSMTSA-N 2 1 358.486 1.000 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000416857740 489631753 /nfs/dbraw/zinc/63/17/53/489631753.db2.gz YGDRKJFFBHCHPD-QGZVFWFLSA-N 2 1 363.506 0.892 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000416937287 489634935 /nfs/dbraw/zinc/63/49/35/489634935.db2.gz CXTVCYXMFKAVRU-BBWFWOEESA-N 2 1 353.511 0.175 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416944619 489634953 /nfs/dbraw/zinc/63/49/53/489634953.db2.gz GVKJMNCFGCEKQS-HZPDHXFCSA-N 2 1 361.494 0.558 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416964108 489637331 /nfs/dbraw/zinc/63/73/31/489637331.db2.gz SGPHLFNOJZOSMQ-UHFFFAOYSA-N 2 1 361.494 0.430 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417053666 489639866 /nfs/dbraw/zinc/63/98/66/489639866.db2.gz SRVVVDRIQJBMCV-HOCLYGCPSA-N 2 1 353.511 0.794 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417054316 489639878 /nfs/dbraw/zinc/63/98/78/489639878.db2.gz UNEKHEMZCBJDSY-GOSISDBHSA-N 2 1 353.511 0.666 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417053664 489640100 /nfs/dbraw/zinc/64/01/00/489640100.db2.gz SRVVVDRIQJBMCV-GDBMZVCRSA-N 2 1 353.511 0.794 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N(CC[NH3+])CCO)c2)CCO1 ZINC000417273074 489646211 /nfs/dbraw/zinc/64/62/11/489646211.db2.gz WHFUQOJCSKZNQG-HNNXBMFYSA-N 2 1 350.463 0.370 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N(CC[NH3+])CCO)c2)CCO1 ZINC000417273074 489646212 /nfs/dbraw/zinc/64/62/12/489646212.db2.gz WHFUQOJCSKZNQG-HNNXBMFYSA-N 2 1 350.463 0.370 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000457502452 489647318 /nfs/dbraw/zinc/64/73/18/489647318.db2.gz FCFLROXLBLDICY-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000457502452 489647320 /nfs/dbraw/zinc/64/73/20/489647320.db2.gz FCFLROXLBLDICY-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417323622 489648961 /nfs/dbraw/zinc/64/89/61/489648961.db2.gz HAADHLVSWBRHOX-BZUAXINKSA-N 2 1 353.511 0.603 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417363585 489649505 /nfs/dbraw/zinc/64/95/05/489649505.db2.gz GAERHWZICGDZEE-SFHVURJKSA-N 2 1 360.506 0.987 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C[C@H](C)O1 ZINC000457570592 489649946 /nfs/dbraw/zinc/64/99/46/489649946.db2.gz HMVLLZRIKJAVOZ-BBWFWOEESA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C[C@H](C)O1 ZINC000457570592 489649948 /nfs/dbraw/zinc/64/99/48/489649948.db2.gz HMVLLZRIKJAVOZ-BBWFWOEESA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C[C@H](C)O1 ZINC000457570592 489649950 /nfs/dbraw/zinc/64/99/50/489649950.db2.gz HMVLLZRIKJAVOZ-BBWFWOEESA-N 2 1 356.511 0.632 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417389945 489651186 /nfs/dbraw/zinc/65/11/86/489651186.db2.gz QBFGTTDQMMUGOT-FQEVSTJZSA-N 2 1 372.517 0.989 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000457614656 489651621 /nfs/dbraw/zinc/65/16/21/489651621.db2.gz XDTHZYQQFFKVMT-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457614656 489651626 /nfs/dbraw/zinc/65/16/26/489651626.db2.gz XDTHZYQQFFKVMT-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418873 489651681 /nfs/dbraw/zinc/65/16/81/489651681.db2.gz BZVVFVIMKPMCAR-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417425990 489651760 /nfs/dbraw/zinc/65/17/60/489651760.db2.gz FNWNZTRKNSXSBO-HZMVEIRTSA-N 2 1 365.522 0.616 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000417435421 489653624 /nfs/dbraw/zinc/65/36/24/489653624.db2.gz YODFDOJKDHMHHU-BZUAXINKSA-N 2 1 353.511 0.555 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417433073 489653717 /nfs/dbraw/zinc/65/37/17/489653717.db2.gz UWSUKCIHBPNQGV-NXOAAHMSSA-N 2 1 365.522 0.698 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449956 489654859 /nfs/dbraw/zinc/65/48/59/489654859.db2.gz YYQYXNXCVJLDPL-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[N@@H+](CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000417510068 489656828 /nfs/dbraw/zinc/65/68/28/489656828.db2.gz SNCXJCDYMSWDJQ-AWEZNQCLSA-N 2 1 365.444 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)[N@@H+](C)C1CC1 ZINC000417550473 489658172 /nfs/dbraw/zinc/65/81/72/489658172.db2.gz LKJKGYHBTQTEFO-INMHGKMJSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417551433 489658314 /nfs/dbraw/zinc/65/83/14/489658314.db2.gz ZQMUOHUWQOGILL-YOEHRIQHSA-N 2 1 361.490 0.920 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417617114 489659826 /nfs/dbraw/zinc/65/98/26/489659826.db2.gz ZQVBUDUGWBEEHL-ZDUSSCGKSA-N 2 1 353.433 0.854 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417804756 489665965 /nfs/dbraw/zinc/66/59/65/489665965.db2.gz ZLDWMPKITJJHBK-IRXDYDNUSA-N 2 1 365.522 0.747 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417867469 489669136 /nfs/dbraw/zinc/66/91/36/489669136.db2.gz DIINYSAIVAMYMD-HZPDHXFCSA-N 2 1 353.511 0.461 20 0 FCADMP CC[C@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900777 489670126 /nfs/dbraw/zinc/67/01/26/489670126.db2.gz VGIUMZARRKUJJL-ZWKOTPCHSA-N 2 1 364.490 0.629 20 0 FCADMP CC[C@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900777 489670130 /nfs/dbraw/zinc/67/01/30/489670130.db2.gz VGIUMZARRKUJJL-ZWKOTPCHSA-N 2 1 364.490 0.629 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417945818 489673236 /nfs/dbraw/zinc/67/32/36/489673236.db2.gz XXTPIGKNMOICCO-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000418025631 489675925 /nfs/dbraw/zinc/67/59/25/489675925.db2.gz OEGJJFASACHQFB-AEFFLSMTSA-N 2 1 363.506 0.584 20 0 FCADMP COCC1(CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH2+]CC1 ZINC000418120228 489679274 /nfs/dbraw/zinc/67/92/74/489679274.db2.gz VSKBXXJMVXEPSS-MRXNPFEDSA-N 2 1 356.511 0.803 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418182785 489683199 /nfs/dbraw/zinc/68/31/99/489683199.db2.gz KKDOPFIQFZYZKG-JZXOWHBKSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265574 489683395 /nfs/dbraw/zinc/68/33/95/489683395.db2.gz VFHHJWDGVNDFCT-OAHLLOKOSA-N 2 1 362.478 0.689 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418184367 489683578 /nfs/dbraw/zinc/68/35/78/489683578.db2.gz QTVNWUKOJXDTHF-WZYMTQMTSA-N 2 1 353.511 0.887 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461434 489683924 /nfs/dbraw/zinc/68/39/24/489683924.db2.gz PHNLNJXNVMFVST-ROUUACIJSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461434 489683927 /nfs/dbraw/zinc/68/39/27/489683927.db2.gz PHNLNJXNVMFVST-ROUUACIJSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461434 489683929 /nfs/dbraw/zinc/68/39/29/489683929.db2.gz PHNLNJXNVMFVST-ROUUACIJSA-N 2 1 369.554 0.406 20 0 FCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205922 489684924 /nfs/dbraw/zinc/68/49/24/489684924.db2.gz ZVGYIWLORUJOGF-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000418288487 489688663 /nfs/dbraw/zinc/68/86/63/489688663.db2.gz IGWXEIREEAJYSX-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303030 489690037 /nfs/dbraw/zinc/69/00/37/489690037.db2.gz UPHVZANRPBECMG-UHFFFAOYSA-N 2 1 355.527 0.282 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H](C)C[NH2+]C)CC2)CC1 ZINC000418371963 489694142 /nfs/dbraw/zinc/69/41/42/489694142.db2.gz SLRPCJBAPWLTJH-INIZCTEOSA-N 2 1 367.538 0.818 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418541802 489706435 /nfs/dbraw/zinc/70/64/35/489706435.db2.gz QZESEQSXUXXCBL-HUUCEWRRSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418541802 489706437 /nfs/dbraw/zinc/70/64/37/489706437.db2.gz QZESEQSXUXXCBL-HUUCEWRRSA-N 2 1 356.417 0.763 20 0 FCADMP COCC[NH2+]CCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418572456 489707732 /nfs/dbraw/zinc/70/77/32/489707732.db2.gz ZIYSDOOLVFLCGC-UHFFFAOYSA-N 2 1 363.506 0.686 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418590020 489708669 /nfs/dbraw/zinc/70/86/69/489708669.db2.gz BCZYCDYGUCEQRQ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418590020 489708673 /nfs/dbraw/zinc/70/86/73/489708673.db2.gz BCZYCDYGUCEQRQ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627342 489712447 /nfs/dbraw/zinc/71/24/47/489712447.db2.gz AVZIZKZUFHASBD-PKOBYXMFSA-N 3 1 369.554 0.813 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000375490736 489718440 /nfs/dbraw/zinc/71/84/40/489718440.db2.gz OGPIBMDHIDESEO-LSDHHAIUSA-N 2 1 364.494 1.069 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000375490736 489718445 /nfs/dbraw/zinc/71/84/45/489718445.db2.gz OGPIBMDHIDESEO-LSDHHAIUSA-N 2 1 364.494 1.069 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000570926264 491273860 /nfs/dbraw/zinc/27/38/60/491273860.db2.gz MSPYREHGMGBVOO-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000489608269 489720047 /nfs/dbraw/zinc/72/00/47/489720047.db2.gz UCNITYCHGFRXJH-ARFHVFGLSA-N 2 1 353.511 0.746 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[NH+]2CCN1CCC2 ZINC000430105757 489720674 /nfs/dbraw/zinc/72/06/74/489720674.db2.gz PXQAGSULXJEUHV-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000430105757 489720678 /nfs/dbraw/zinc/72/06/78/489720678.db2.gz PXQAGSULXJEUHV-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000430105757 489720682 /nfs/dbraw/zinc/72/06/82/489720682.db2.gz PXQAGSULXJEUHV-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000418786046 489726838 /nfs/dbraw/zinc/72/68/38/489726838.db2.gz HWDRERSQLAQCBV-ZJIFWQFVSA-N 2 1 352.479 0.653 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000418786046 489726840 /nfs/dbraw/zinc/72/68/40/489726840.db2.gz HWDRERSQLAQCBV-ZJIFWQFVSA-N 2 1 352.479 0.653 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786733 489727705 /nfs/dbraw/zinc/72/77/05/489727705.db2.gz JFGSEUJJUGETKH-KSZLIROESA-N 2 1 362.474 0.300 20 0 FCADMP O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786735 489727726 /nfs/dbraw/zinc/72/77/26/489727726.db2.gz JFGSEUJJUGETKH-SQNIBIBYSA-N 2 1 362.474 0.300 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418825161 489740129 /nfs/dbraw/zinc/74/01/29/489740129.db2.gz UBZSPQYLIUSATH-BZPMIXESSA-N 2 1 351.451 0.173 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+](C)C ZINC000418829921 489743566 /nfs/dbraw/zinc/74/35/66/489743566.db2.gz FCIOMBOQBVPGIK-QGZVFWFLSA-N 2 1 374.485 0.840 20 0 FCADMP [NH3+]CCCOC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000430547599 489745075 /nfs/dbraw/zinc/74/50/75/489745075.db2.gz UTNZQRPTPWMAIG-INIZCTEOSA-N 2 1 363.458 0.772 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418834372 489745948 /nfs/dbraw/zinc/74/59/48/489745948.db2.gz ODGGCESQXLFADM-INIZCTEOSA-N 2 1 366.506 0.206 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000418835975 489747217 /nfs/dbraw/zinc/74/72/17/489747217.db2.gz QPKPMMXXWUIXIL-OAHLLOKOSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000418837294 489747873 /nfs/dbraw/zinc/74/78/73/489747873.db2.gz AHZKMYLQQOFTOI-KBAYOESNSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593797 489748980 /nfs/dbraw/zinc/74/89/80/489748980.db2.gz JGQUTYMXHNORQL-QWHCGFSZSA-N 2 1 370.519 0.816 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593797 489748985 /nfs/dbraw/zinc/74/89/85/489748985.db2.gz JGQUTYMXHNORQL-QWHCGFSZSA-N 2 1 370.519 0.816 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000418839659 489749638 /nfs/dbraw/zinc/74/96/38/489749638.db2.gz DHLBAGBRWRUURE-NCXUSEDFSA-N 2 1 370.497 0.963 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000474298222 489751508 /nfs/dbraw/zinc/75/15/08/489751508.db2.gz HRJZAEDMLRZNNY-INIZCTEOSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000474298222 489751512 /nfs/dbraw/zinc/75/15/12/489751512.db2.gz HRJZAEDMLRZNNY-INIZCTEOSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000474298222 489751518 /nfs/dbraw/zinc/75/15/18/489751518.db2.gz HRJZAEDMLRZNNY-INIZCTEOSA-N 2 1 351.495 0.490 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430612881 489753753 /nfs/dbraw/zinc/75/37/53/489753753.db2.gz UOWAWBAMAOKUFK-CYBMUJFWSA-N 2 1 368.428 0.410 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000474316271 489753982 /nfs/dbraw/zinc/75/39/82/489753982.db2.gz UGGHUUBVFVWZEV-UHFFFAOYSA-N 2 1 358.486 0.657 20 0 FCADMP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000418847773 489754373 /nfs/dbraw/zinc/75/43/73/489754373.db2.gz JXXCUTNPDFNJFZ-INIZCTEOSA-N 2 1 362.474 0.625 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000418848150 489754611 /nfs/dbraw/zinc/75/46/11/489754611.db2.gz KRYRRHDQVCFUCZ-DZKIICNBSA-N 2 1 362.474 0.671 20 0 FCADMP COc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000430622446 489756096 /nfs/dbraw/zinc/75/60/96/489756096.db2.gz GEWHQTLHVVXODV-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP COc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000430622446 489756101 /nfs/dbraw/zinc/75/61/01/489756101.db2.gz GEWHQTLHVVXODV-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622546 489756563 /nfs/dbraw/zinc/75/65/63/489756563.db2.gz FQWHGMYWSHLKCS-KBPBESRZSA-N 2 1 373.457 0.147 20 0 FCADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622546 489756566 /nfs/dbraw/zinc/75/65/66/489756566.db2.gz FQWHGMYWSHLKCS-KBPBESRZSA-N 2 1 373.457 0.147 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000418850699 489756580 /nfs/dbraw/zinc/75/65/80/489756580.db2.gz OFBRXVGWBKKIBR-MYSGWJLTSA-N 2 1 374.485 0.813 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430627541 489757293 /nfs/dbraw/zinc/75/72/93/489757293.db2.gz MFUAPALFVNVKLH-OAHLLOKOSA-N 2 1 372.469 0.850 20 0 FCADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641197 489760205 /nfs/dbraw/zinc/76/02/05/489760205.db2.gz IHBGYGPVOVKCBM-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642957 489761421 /nfs/dbraw/zinc/76/14/21/489761421.db2.gz WCFLZMXNHMCZTL-HNNXBMFYSA-N 2 1 364.515 0.850 20 0 FCADMP O=C([C@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647434 489761627 /nfs/dbraw/zinc/76/16/27/489761627.db2.gz XWGGGBSZWIIPES-STQMWFEESA-N 2 1 362.396 0.293 20 0 FCADMP O=C([C@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647434 489761633 /nfs/dbraw/zinc/76/16/33/489761633.db2.gz XWGGGBSZWIIPES-STQMWFEESA-N 2 1 362.396 0.293 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@H]1CCO ZINC000459828705 489761907 /nfs/dbraw/zinc/76/19/07/489761907.db2.gz FHYRXOUPDLMZLE-KRWDZBQOSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430655109 489763319 /nfs/dbraw/zinc/76/33/19/489763319.db2.gz QZDHZDVJXBEHKK-UONOGXRCSA-N 2 1 350.467 0.578 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430655109 489763324 /nfs/dbraw/zinc/76/33/24/489763324.db2.gz QZDHZDVJXBEHKK-UONOGXRCSA-N 2 1 350.467 0.578 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccccc1F ZINC000430661542 489763599 /nfs/dbraw/zinc/76/35/99/489763599.db2.gz GAKKYVFUDSKQFT-INIZCTEOSA-N 2 1 362.449 0.586 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000430656405 489764020 /nfs/dbraw/zinc/76/40/20/489764020.db2.gz UAWRTXPEMCZWEG-LLVKDONJSA-N 2 1 358.895 0.805 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000430656405 489764022 /nfs/dbraw/zinc/76/40/22/489764022.db2.gz UAWRTXPEMCZWEG-LLVKDONJSA-N 2 1 358.895 0.805 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418865120 489764585 /nfs/dbraw/zinc/76/45/85/489764585.db2.gz LRLVVONVQWRPAT-XHSDSOJGSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376640122 489765669 /nfs/dbraw/zinc/76/56/69/489765669.db2.gz MQYWLVVHJMVZBZ-GDBMZVCRSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418880700 489773372 /nfs/dbraw/zinc/77/33/72/489773372.db2.gz PWEQZPIJIITVEM-UGUYLWEFSA-N 2 1 350.507 0.951 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000459866113 489773713 /nfs/dbraw/zinc/77/37/13/489773713.db2.gz MBJNLKKHZDHXOE-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883636 489774302 /nfs/dbraw/zinc/77/43/02/489774302.db2.gz VLBFRVVBSRLBLJ-NVXWUHKLSA-N 2 1 368.522 0.627 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000430880599 489774397 /nfs/dbraw/zinc/77/43/97/489774397.db2.gz USSOAALCAVHPDW-HZPDHXFCSA-N 2 1 360.458 0.701 20 0 FCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430896807 489775621 /nfs/dbraw/zinc/77/56/21/489775621.db2.gz LGJJJNMDHKFRRS-HNNXBMFYSA-N 2 1 360.458 0.781 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cn2)CC1 ZINC000430914013 489776490 /nfs/dbraw/zinc/77/64/90/489776490.db2.gz HHMCZULMZIQTMO-KRWDZBQOSA-N 2 1 370.457 0.338 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000459874421 489777402 /nfs/dbraw/zinc/77/74/02/489777402.db2.gz XZUVNCBUCKMLPO-KRWDZBQOSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000459874421 489777407 /nfs/dbraw/zinc/77/74/07/489777407.db2.gz XZUVNCBUCKMLPO-KRWDZBQOSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430933355 489779312 /nfs/dbraw/zinc/77/93/12/489779312.db2.gz HXYRGFTXABJSJF-YNEHKIRRSA-N 2 1 354.476 0.180 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430933355 489779317 /nfs/dbraw/zinc/77/93/17/489779317.db2.gz HXYRGFTXABJSJF-YNEHKIRRSA-N 2 1 354.476 0.180 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000459912854 489790177 /nfs/dbraw/zinc/79/01/77/489790177.db2.gz IKLLWGJRFWFYNK-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000459915607 489791315 /nfs/dbraw/zinc/79/13/15/489791315.db2.gz HNFIGGSJMWEYCG-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000418922826 489792543 /nfs/dbraw/zinc/79/25/43/489792543.db2.gz NCYZXLJHKVSBJR-BZUAXINKSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418924825 489793250 /nfs/dbraw/zinc/79/32/50/489793250.db2.gz PNTCEYAOSYSXQK-CVEARBPZSA-N 2 1 354.495 0.093 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795289 /nfs/dbraw/zinc/79/52/89/489795289.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 2 1 367.538 0.025 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000459925090 489796711 /nfs/dbraw/zinc/79/67/11/489796711.db2.gz UBZWUGUIZGXBHO-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000475149833 489808056 /nfs/dbraw/zinc/80/80/56/489808056.db2.gz QQGXWHJNWLMZDU-TXPKVOOTSA-N 2 1 372.506 0.891 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000459981097 489808078 /nfs/dbraw/zinc/80/80/78/489808078.db2.gz AOZITHMHLXUFOE-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459981097 489808082 /nfs/dbraw/zinc/80/80/82/489808082.db2.gz AOZITHMHLXUFOE-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459981097 489808084 /nfs/dbraw/zinc/80/80/84/489808084.db2.gz AOZITHMHLXUFOE-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419005935 489814870 /nfs/dbraw/zinc/81/48/70/489814870.db2.gz SCIYZRLEFHFJFU-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP CC1(C)C[N@H+](C2(CNC(=O)c3cn(CC[NH3+])nn3)CCCCC2)CCO1 ZINC000563976073 491281189 /nfs/dbraw/zinc/28/11/89/491281189.db2.gz FQLNZBZMXXKAAK-UHFFFAOYSA-N 2 1 364.494 0.780 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000419028388 489824209 /nfs/dbraw/zinc/82/42/09/489824209.db2.gz QCHCGSZBQNVCRT-CQSZACIVSA-N 2 1 359.405 0.886 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419030657 489825482 /nfs/dbraw/zinc/82/54/82/489825482.db2.gz UHIJLRXFIUZORW-XHSDSOJGSA-N 2 1 352.523 0.975 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H](C)C1 ZINC000419046084 489833102 /nfs/dbraw/zinc/83/31/02/489833102.db2.gz XLTUFHNTSSWAFX-HOTGVXAUSA-N 2 1 370.538 0.683 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000419045715 489833156 /nfs/dbraw/zinc/83/31/56/489833156.db2.gz WZTPNJWLGVVXMS-OAGGEKHMSA-N 2 1 356.511 0.339 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H](C)C1 ZINC000419046087 489833359 /nfs/dbraw/zinc/83/33/59/489833359.db2.gz XLTUFHNTSSWAFX-JKSUJKDBSA-N 2 1 370.538 0.683 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419047651 489834294 /nfs/dbraw/zinc/83/42/94/489834294.db2.gz UALJTDDKPILIFW-BPQIPLTHSA-N 2 1 374.485 0.433 20 0 FCADMP C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CC[NH+](C)CC1 ZINC000492686260 489834854 /nfs/dbraw/zinc/83/48/54/489834854.db2.gz YMYHHYSQVYEVCY-OTWHNJEPSA-N 2 1 365.566 0.639 20 0 FCADMP C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CC[NH+](C)CC1 ZINC000492686260 489834858 /nfs/dbraw/zinc/83/48/58/489834858.db2.gz YMYHHYSQVYEVCY-OTWHNJEPSA-N 2 1 365.566 0.639 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000460055263 489835756 /nfs/dbraw/zinc/83/57/56/489835756.db2.gz FXWYALPCZIOSNZ-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419057932 489838215 /nfs/dbraw/zinc/83/82/15/489838215.db2.gz ASLWQAJVONRJGS-HUUCEWRRSA-N 2 1 366.506 0.416 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000419057930 489838358 /nfs/dbraw/zinc/83/83/58/489838358.db2.gz ASLWQAJVONRJGS-GASCZTMLSA-N 2 1 366.506 0.416 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000419057930 489838360 /nfs/dbraw/zinc/83/83/60/489838360.db2.gz ASLWQAJVONRJGS-GASCZTMLSA-N 2 1 366.506 0.416 20 0 FCADMP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419057395 489838447 /nfs/dbraw/zinc/83/84/47/489838447.db2.gz AAOBORVIJZGNJV-JYJNAYRXSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000419057931 489838510 /nfs/dbraw/zinc/83/85/10/489838510.db2.gz ASLWQAJVONRJGS-GJZGRUSLSA-N 2 1 366.506 0.416 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419057917 489838531 /nfs/dbraw/zinc/83/85/31/489838531.db2.gz ASBYBOASMQOAKO-FPCVCCKLSA-N 2 1 368.522 0.495 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060754 489839491 /nfs/dbraw/zinc/83/94/91/489839491.db2.gz FNJVVBHPCQRJSJ-ZNMIVQPWSA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060754 489839493 /nfs/dbraw/zinc/83/94/93/489839493.db2.gz FNJVVBHPCQRJSJ-ZNMIVQPWSA-N 2 1 356.511 0.480 20 0 FCADMP O=C(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431867 489842176 /nfs/dbraw/zinc/84/21/76/489842176.db2.gz FHHAYESQAFRTDN-IRXDYDNUSA-N 2 1 365.522 0.905 20 0 FCADMP Cn1cccc1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493253558 489843078 /nfs/dbraw/zinc/84/30/78/489843078.db2.gz YORSOKVHXDZWEF-UHFFFAOYSA-N 2 1 355.442 0.931 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000419081544 489848930 /nfs/dbraw/zinc/84/89/30/489848930.db2.gz ICHQVDZTJZIUQA-RBSFLKMASA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)N1 ZINC000419083040 489849210 /nfs/dbraw/zinc/84/92/10/489849210.db2.gz JUMVYCNULFXLKQ-TUVASFSCSA-N 2 1 354.495 0.199 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419087297 489851433 /nfs/dbraw/zinc/85/14/33/489851433.db2.gz PFAHMJPKGFGZCL-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419087297 489851436 /nfs/dbraw/zinc/85/14/36/489851436.db2.gz PFAHMJPKGFGZCL-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH+]c1 ZINC000419088241 489851611 /nfs/dbraw/zinc/85/16/11/489851611.db2.gz BDLUWZCSGQVFQZ-BZUAXINKSA-N 2 1 359.474 0.813 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419089546 489852710 /nfs/dbraw/zinc/85/27/10/489852710.db2.gz UCKBRKXEDHCPTF-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419089546 489852714 /nfs/dbraw/zinc/85/27/14/489852714.db2.gz UCKBRKXEDHCPTF-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000419096562 489854452 /nfs/dbraw/zinc/85/44/52/489854452.db2.gz MGNXKGJKIDMAHS-UHFFFAOYSA-N 2 1 361.490 1.156 20 0 FCADMP CCC(CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000460233993 489856009 /nfs/dbraw/zinc/85/60/09/489856009.db2.gz DVCVTJHLIIJUJZ-FUHWJXTLSA-N 2 1 356.511 0.489 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000555923137 491283408 /nfs/dbraw/zinc/28/34/08/491283408.db2.gz ZCEOUNZTUXEFHJ-DLBZAZTESA-N 2 1 369.554 0.221 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000460244423 489857315 /nfs/dbraw/zinc/85/73/15/489857315.db2.gz RZGDFIFNSSMAIM-YJBOKZPZSA-N 2 1 350.463 0.664 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000460244423 489857316 /nfs/dbraw/zinc/85/73/16/489857316.db2.gz RZGDFIFNSSMAIM-YJBOKZPZSA-N 2 1 350.463 0.664 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419118076 489863221 /nfs/dbraw/zinc/86/32/21/489863221.db2.gz NQSVKGMEBBXKMQ-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118044 489863393 /nfs/dbraw/zinc/86/33/93/489863393.db2.gz NLZVJOFKLUZVIC-NVXWUHKLSA-N 2 1 368.522 0.355 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419121094 489864938 /nfs/dbraw/zinc/86/49/38/489864938.db2.gz ABBWVYSCJCXLBU-AWEZNQCLSA-N 2 1 350.488 0.508 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419123105 489867436 /nfs/dbraw/zinc/86/74/36/489867436.db2.gz VDIWOKFKMZEZJT-JKSUJKDBSA-N 2 1 354.495 0.189 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419122785 489867487 /nfs/dbraw/zinc/86/74/87/489867487.db2.gz URCAKYUWPINWMR-CVEARBPZSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000494130788 489871497 /nfs/dbraw/zinc/87/14/97/489871497.db2.gz MODKJJGPTZHMSE-KRWDZBQOSA-N 2 1 363.506 0.825 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000420008575 489879494 /nfs/dbraw/zinc/87/94/94/489879494.db2.gz UPGSAIRCYBMDID-OXQOHEQNSA-N 2 1 358.486 0.965 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420010634 489880469 /nfs/dbraw/zinc/88/04/69/489880469.db2.gz FRHSUKJVHPNTFW-ULQDDVLXSA-N 2 1 350.507 0.810 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420013193 489880792 /nfs/dbraw/zinc/88/07/92/489880792.db2.gz IYMOQFVNPROSAE-JKSUJKDBSA-N 2 1 361.490 0.835 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420012956 489880942 /nfs/dbraw/zinc/88/09/42/489880942.db2.gz JKEVYAZGUMLWSF-UXLLHSPISA-N 2 1 368.522 0.434 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420012 489882454 /nfs/dbraw/zinc/88/24/54/489882454.db2.gz ILQLPKDNXZBLAU-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000433449840 489884356 /nfs/dbraw/zinc/88/43/56/489884356.db2.gz JGTQKLCKQIBBGB-QGZVFWFLSA-N 2 1 370.538 0.976 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCO1 ZINC000433449840 489884362 /nfs/dbraw/zinc/88/43/62/489884362.db2.gz JGTQKLCKQIBBGB-QGZVFWFLSA-N 2 1 370.538 0.976 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCO1 ZINC000433449840 489884364 /nfs/dbraw/zinc/88/43/64/489884364.db2.gz JGTQKLCKQIBBGB-QGZVFWFLSA-N 2 1 370.538 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030660 489887011 /nfs/dbraw/zinc/88/70/11/489887011.db2.gz GPWDWFKXPXHSTG-APIJFGDWSA-N 2 1 354.495 0.452 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C[C@H]1C ZINC000420047034 489892833 /nfs/dbraw/zinc/89/28/33/489892833.db2.gz VWHQYEQZHBQIIZ-QPSCCSFWSA-N 2 1 354.495 0.547 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000420066898 489900915 /nfs/dbraw/zinc/90/09/15/489900915.db2.gz ZTZAIQCABBZJBK-UHFFFAOYSA-N 2 1 362.474 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000420066898 489900918 /nfs/dbraw/zinc/90/09/18/489900918.db2.gz ZTZAIQCABBZJBK-UHFFFAOYSA-N 2 1 362.474 0.583 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420075457 489904579 /nfs/dbraw/zinc/90/45/79/489904579.db2.gz SMRVJANHNWNPQF-DOTOQJQBSA-N 2 1 350.507 0.810 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420089462 489908061 /nfs/dbraw/zinc/90/80/61/489908061.db2.gz SCTWAONKRSMOQT-INIZCTEOSA-N 2 1 361.490 0.835 20 0 FCADMP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000461517749 489916474 /nfs/dbraw/zinc/91/64/74/489916474.db2.gz MBRNNJMZCYXYAR-UHFFFAOYSA-N 2 1 365.478 0.544 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000377535176 489916838 /nfs/dbraw/zinc/91/68/38/489916838.db2.gz CMRYNMBMLFAZPI-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000377576804 489923890 /nfs/dbraw/zinc/92/38/90/489923890.db2.gz GFNBHXZDOODTID-SJORKVTESA-N 2 1 354.495 0.650 20 0 FCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420166793 489937568 /nfs/dbraw/zinc/93/75/68/489937568.db2.gz OLIQQHISSWALLM-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420173682 489941030 /nfs/dbraw/zinc/94/10/30/489941030.db2.gz VQVDRQVHQYTAJH-UHFFFAOYSA-N 2 1 362.474 0.073 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000564124831 491289724 /nfs/dbraw/zinc/28/97/24/491289724.db2.gz BFHFYYAHPLGHGP-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000564124831 491289726 /nfs/dbraw/zinc/28/97/26/491289726.db2.gz BFHFYYAHPLGHGP-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000564124825 491289849 /nfs/dbraw/zinc/28/98/49/491289849.db2.gz BFHFYYAHPLGHGP-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000564124825 491289852 /nfs/dbraw/zinc/28/98/52/491289852.db2.gz BFHFYYAHPLGHGP-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)C/C=C\C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434708620 489951455 /nfs/dbraw/zinc/95/14/55/489951455.db2.gz DARANLLVUQJDCZ-SBUVDCAVSA-N 2 1 368.566 0.848 20 0 FCADMP COCC[NH+]1CCC([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000462035279 489951897 /nfs/dbraw/zinc/95/18/97/489951897.db2.gz HWVIDDAFXUVGLB-IBGZPJMESA-N 2 1 360.458 0.942 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420210225 489953672 /nfs/dbraw/zinc/95/36/72/489953672.db2.gz VZMXNDTUADESFZ-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000556083854 491293464 /nfs/dbraw/zinc/29/34/64/491293464.db2.gz GGDOITYVCNQBCB-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000420316890 489962793 /nfs/dbraw/zinc/96/27/93/489962793.db2.gz YSWGUSSXEQCKFV-INIZCTEOSA-N 2 1 361.442 0.748 20 0 FCADMP c1cc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc2c1OCO2 ZINC000420347572 489965311 /nfs/dbraw/zinc/96/53/11/489965311.db2.gz HKMKFZLZIXWGLL-AWEZNQCLSA-N 2 1 357.414 0.945 20 0 FCADMP c1cc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc2c1OCO2 ZINC000420347572 489965315 /nfs/dbraw/zinc/96/53/15/489965315.db2.gz HKMKFZLZIXWGLL-AWEZNQCLSA-N 2 1 357.414 0.945 20 0 FCADMP CN(CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420347306 489965548 /nfs/dbraw/zinc/96/55/48/489965548.db2.gz GLUVIIQECDRLIT-IBGZPJMESA-N 2 1 359.518 0.609 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420347306 489965550 /nfs/dbraw/zinc/96/55/50/489965550.db2.gz GLUVIIQECDRLIT-IBGZPJMESA-N 2 1 359.518 0.609 20 0 FCADMP O=C(CC[NH+]1CCC(CCCN2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000420365907 489968981 /nfs/dbraw/zinc/96/89/81/489968981.db2.gz SYXILWCVEWXRQP-UHFFFAOYSA-N 2 1 352.523 0.633 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392473 489971987 /nfs/dbraw/zinc/97/19/87/489971987.db2.gz BOCUMMIYRVYATH-HUUCEWRRSA-N 2 1 362.540 0.079 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000420392473 489971989 /nfs/dbraw/zinc/97/19/89/489971989.db2.gz BOCUMMIYRVYATH-HUUCEWRRSA-N 2 1 362.540 0.079 20 0 FCADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420406304 489972477 /nfs/dbraw/zinc/97/24/77/489972477.db2.gz NMSUCMFCZCPYFY-QWHCGFSZSA-N 2 1 354.476 0.579 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420426237 489974973 /nfs/dbraw/zinc/97/49/73/489974973.db2.gz PUOMNRPKJKALBV-GASCZTMLSA-N 2 1 355.508 0.577 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000477616229 489977653 /nfs/dbraw/zinc/97/76/53/489977653.db2.gz QYYIZZBJKMZSBL-QGZVFWFLSA-N 3 1 356.559 0.147 20 0 FCADMP CN1CCN(C)[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000477616229 489977655 /nfs/dbraw/zinc/97/76/55/489977655.db2.gz QYYIZZBJKMZSBL-QGZVFWFLSA-N 2 1 356.559 0.147 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015856 490000776 /nfs/dbraw/zinc/00/07/76/490000776.db2.gz MKCMFHDPIXWEDB-SPYBWZPUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000420771507 490020930 /nfs/dbraw/zinc/02/09/30/490020930.db2.gz RZWYCASAGHWORK-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000420771507 490020938 /nfs/dbraw/zinc/02/09/38/490020938.db2.gz RZWYCASAGHWORK-LSDHHAIUSA-N 2 1 350.463 0.847 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1=O ZINC000378187286 490024781 /nfs/dbraw/zinc/02/47/81/490024781.db2.gz IMSXTZMELWXSQM-VQHPVUNQSA-N 2 1 350.507 0.905 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000420840092 490025575 /nfs/dbraw/zinc/02/55/75/490025575.db2.gz NXQWBMNEWPSOOK-ROUUACIJSA-N 2 1 360.502 0.828 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378207964 490028445 /nfs/dbraw/zinc/02/84/45/490028445.db2.gz UQFGQMRNDBUYNR-GOSISDBHSA-N 2 1 350.438 0.953 20 0 FCADMP COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283888 490039849 /nfs/dbraw/zinc/03/98/49/490039849.db2.gz PMGYKPAJCULSLJ-GXTWGEPZSA-N 2 1 355.398 0.945 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000478882863 490049525 /nfs/dbraw/zinc/04/95/25/490049525.db2.gz HQAVJJQIIMGXON-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443057334 490066290 /nfs/dbraw/zinc/06/62/90/490066290.db2.gz GHYSOZDHKZKMFV-OAHLLOKOSA-N 2 1 362.540 0.224 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@H+]1C ZINC000506433773 490091678 /nfs/dbraw/zinc/09/16/78/490091678.db2.gz ZPGXMQSCEHOQFL-CRAIPNDOSA-N 2 1 372.513 0.801 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727330 490102061 /nfs/dbraw/zinc/10/20/61/490102061.db2.gz WMARJORJUTWQJS-YOEHRIQHSA-N 2 1 356.536 0.388 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000496280754 490111076 /nfs/dbraw/zinc/11/10/76/490111076.db2.gz DCTDXDDBKYPMPF-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000496280754 490111078 /nfs/dbraw/zinc/11/10/78/490111078.db2.gz DCTDXDDBKYPMPF-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC000496280754 490111080 /nfs/dbraw/zinc/11/10/80/490111080.db2.gz DCTDXDDBKYPMPF-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000496280754 490111081 /nfs/dbraw/zinc/11/10/81/490111081.db2.gz DCTDXDDBKYPMPF-HZPDHXFCSA-N 2 1 367.538 0.070 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000556169751 491299913 /nfs/dbraw/zinc/29/99/13/491299913.db2.gz BURVAQKGXGUQLS-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000556169751 491299914 /nfs/dbraw/zinc/29/99/14/491299914.db2.gz BURVAQKGXGUQLS-SJORKVTESA-N 2 1 367.538 0.071 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)CC(O)CC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422042256 490132494 /nfs/dbraw/zinc/13/24/94/490132494.db2.gz VSGYYVBORXKCCJ-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP [NH3+]CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nn1 ZINC000390958492 490140381 /nfs/dbraw/zinc/14/03/81/490140381.db2.gz XEJQYRRNXNZBLP-MRXNPFEDSA-N 2 1 358.446 0.258 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556201250 491302506 /nfs/dbraw/zinc/30/25/06/491302506.db2.gz DCWVACVNGUMQJS-RHSMWYFYSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556201250 491302508 /nfs/dbraw/zinc/30/25/08/491302508.db2.gz DCWVACVNGUMQJS-RHSMWYFYSA-N 2 1 356.536 0.339 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000422095897 490147690 /nfs/dbraw/zinc/14/76/90/490147690.db2.gz HTQIZBGGTWSPOF-MRXNPFEDSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000422095897 490147697 /nfs/dbraw/zinc/14/76/97/490147697.db2.gz HTQIZBGGTWSPOF-MRXNPFEDSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354121 491302964 /nfs/dbraw/zinc/30/29/64/491302964.db2.gz DPBPJQUZNLPJDH-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000422117744 490168999 /nfs/dbraw/zinc/16/89/99/490168999.db2.gz MGOZPKOSFBBJGT-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000466224595 490172829 /nfs/dbraw/zinc/17/28/29/490172829.db2.gz KMMDWJXZCCFHOI-RHSMWYFYSA-N 2 1 365.522 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000466224595 490172834 /nfs/dbraw/zinc/17/28/34/490172834.db2.gz KMMDWJXZCCFHOI-RHSMWYFYSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCSCC1 ZINC000533089127 490173947 /nfs/dbraw/zinc/17/39/47/490173947.db2.gz FSQGHHMOJJOIEJ-CQSZACIVSA-N 2 1 356.536 0.483 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000422126482 490178017 /nfs/dbraw/zinc/17/80/17/490178017.db2.gz WVNXXPQOFINNAS-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCOC ZINC000422129851 490180877 /nfs/dbraw/zinc/18/08/77/490180877.db2.gz ZZRSEQAAHAFMMD-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000422129851 490180884 /nfs/dbraw/zinc/18/08/84/490180884.db2.gz ZZRSEQAAHAFMMD-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000422129851 490180893 /nfs/dbraw/zinc/18/08/93/490180893.db2.gz ZZRSEQAAHAFMMD-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000422129851 490180903 /nfs/dbraw/zinc/18/09/03/490180903.db2.gz ZZRSEQAAHAFMMD-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507153976 490182320 /nfs/dbraw/zinc/18/23/20/490182320.db2.gz KZBMPBIWWLPNEQ-HIFRSBDPSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507165025 490184294 /nfs/dbraw/zinc/18/42/94/490184294.db2.gz RSRRJLQWCHGXSF-CYBMUJFWSA-N 2 1 354.414 0.806 20 0 FCADMP O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000571410326 491306072 /nfs/dbraw/zinc/30/60/72/491306072.db2.gz HXMPIEDXAFUGHP-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000466502799 490192137 /nfs/dbraw/zinc/19/21/37/490192137.db2.gz ITYJZFQYAVVRTE-FMKPAKJESA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502799 490192138 /nfs/dbraw/zinc/19/21/38/490192138.db2.gz ITYJZFQYAVVRTE-FMKPAKJESA-N 2 1 351.495 0.356 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502799 490192145 /nfs/dbraw/zinc/19/21/45/490192145.db2.gz ITYJZFQYAVVRTE-FMKPAKJESA-N 2 1 351.495 0.356 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000497685983 490194834 /nfs/dbraw/zinc/19/48/34/490194834.db2.gz FHTMSHLWDOHLDV-ZACQAIPSSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000497685983 490194839 /nfs/dbraw/zinc/19/48/39/490194839.db2.gz FHTMSHLWDOHLDV-ZACQAIPSSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000497685983 490194845 /nfs/dbraw/zinc/19/48/45/490194845.db2.gz FHTMSHLWDOHLDV-ZACQAIPSSA-N 2 1 365.522 0.665 20 0 FCADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000466735209 490209424 /nfs/dbraw/zinc/20/94/24/490209424.db2.gz AHWWYPFQHUWLNG-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000521026826 490214977 /nfs/dbraw/zinc/21/49/77/490214977.db2.gz SJBLMEVMGNSCIA-NVXWUHKLSA-N 2 1 372.469 0.970 20 0 FCADMP CCNC(=O)COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000546567230 490220139 /nfs/dbraw/zinc/22/01/39/490220139.db2.gz YHEWKKNTOOTAHA-SFHVURJKSA-N 2 1 351.447 0.366 20 0 FCADMP CCNC(=O)COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000546567230 490220143 /nfs/dbraw/zinc/22/01/43/490220143.db2.gz YHEWKKNTOOTAHA-SFHVURJKSA-N 2 1 351.447 0.366 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507426504 490221556 /nfs/dbraw/zinc/22/15/56/490221556.db2.gz VJBPSTABTIQLCP-UHFFFAOYSA-N 2 1 355.483 0.002 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000521076149 490222006 /nfs/dbraw/zinc/22/20/06/490222006.db2.gz JXFFFPCAGHTFHI-OAHLLOKOSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425438 490222065 /nfs/dbraw/zinc/22/20/65/490222065.db2.gz BOSFBGXLJZWGTA-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425438 490222070 /nfs/dbraw/zinc/22/20/70/490222070.db2.gz BOSFBGXLJZWGTA-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000507425438 490222074 /nfs/dbraw/zinc/22/20/74/490222074.db2.gz BOSFBGXLJZWGTA-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(C)C ZINC000521338976 490249335 /nfs/dbraw/zinc/24/93/35/490249335.db2.gz CRMKVDUFTPVOFW-UHFFFAOYSA-N 2 1 355.527 0.959 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000556363068 491311955 /nfs/dbraw/zinc/31/19/55/491311955.db2.gz SASKFLRXNADZGZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000556363068 491311958 /nfs/dbraw/zinc/31/19/58/491311958.db2.gz SASKFLRXNADZGZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000556363068 491311960 /nfs/dbraw/zinc/31/19/60/491311960.db2.gz SASKFLRXNADZGZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000483333297 490309457 /nfs/dbraw/zinc/30/94/57/490309457.db2.gz LLCRLLIFHUMBJI-IKGGRYGDSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498643040 490320521 /nfs/dbraw/zinc/32/05/21/490320521.db2.gz AZWVVNAIEHDSTQ-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@H](C)CN1C ZINC000408435780 490336495 /nfs/dbraw/zinc/33/64/95/490336495.db2.gz PNEYMONJPQOCOV-HUUCEWRRSA-N 2 1 367.519 0.547 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927748 490358230 /nfs/dbraw/zinc/35/82/30/490358230.db2.gz OMMZCKOAQLUKCD-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000483927748 490358235 /nfs/dbraw/zinc/35/82/35/490358235.db2.gz OMMZCKOAQLUKCD-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000483927748 490358245 /nfs/dbraw/zinc/35/82/45/490358245.db2.gz OMMZCKOAQLUKCD-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000498955921 490372179 /nfs/dbraw/zinc/37/21/79/490372179.db2.gz IXRSQUMQHXUHCP-MRXNPFEDSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000498955921 490372184 /nfs/dbraw/zinc/37/21/84/490372184.db2.gz IXRSQUMQHXUHCP-MRXNPFEDSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000498955921 490372192 /nfs/dbraw/zinc/37/21/92/490372192.db2.gz IXRSQUMQHXUHCP-MRXNPFEDSA-N 2 1 350.507 0.991 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+](C)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000571671063 491322102 /nfs/dbraw/zinc/32/21/02/491322102.db2.gz QAAIDGFHJDKQRS-ZWKOTPCHSA-N 2 1 356.474 0.988 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000484129507 490387791 /nfs/dbraw/zinc/38/77/91/490387791.db2.gz HOTLYLUGEOIYFZ-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342645 490391002 /nfs/dbraw/zinc/39/10/02/490391002.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342645 490391008 /nfs/dbraw/zinc/39/10/08/490391008.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342645 490391021 /nfs/dbraw/zinc/39/10/21/490391021.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422625608 490433119 /nfs/dbraw/zinc/43/31/19/490433119.db2.gz BXFIQYAPNBTENS-RDBSUJKOSA-N 2 1 368.503 0.968 20 0 FCADMP CC1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000449944332 490438963 /nfs/dbraw/zinc/43/89/63/490438963.db2.gz HLQMMFMOQKKZRX-BRSBDYLESA-N 2 1 364.534 0.974 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571745546 491326619 /nfs/dbraw/zinc/32/66/19/491326619.db2.gz ZZFJOSNXTQHTLJ-RTBURBONSA-N 2 1 357.502 0.950 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523207878 490449977 /nfs/dbraw/zinc/44/99/77/490449977.db2.gz BWJGWVRPRHELEC-KRWDZBQOSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000509709216 490454533 /nfs/dbraw/zinc/45/45/33/490454533.db2.gz AKTYAJHOANLONT-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCOC)C[C@H]1C ZINC000509709216 490454540 /nfs/dbraw/zinc/45/45/40/490454540.db2.gz AKTYAJHOANLONT-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@@H+](C)CCCOC)C[C@H]1C ZINC000509709216 490454547 /nfs/dbraw/zinc/45/45/47/490454547.db2.gz AKTYAJHOANLONT-CVEARBPZSA-N 2 1 356.511 0.402 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571770297 491327829 /nfs/dbraw/zinc/32/78/29/491327829.db2.gz TUBNJKYTHCVQFZ-ZWKOTPCHSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571770297 491327830 /nfs/dbraw/zinc/32/78/30/491327830.db2.gz TUBNJKYTHCVQFZ-ZWKOTPCHSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571770296 491327846 /nfs/dbraw/zinc/32/78/46/491327846.db2.gz TUBNJKYTHCVQFZ-ROUUACIJSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000571770296 491327847 /nfs/dbraw/zinc/32/78/47/491327847.db2.gz TUBNJKYTHCVQFZ-ROUUACIJSA-N 2 1 370.497 0.978 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000557381308 491371738 /nfs/dbraw/zinc/37/17/38/491371738.db2.gz JPMSFULZKRRLBB-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000509831474 490468790 /nfs/dbraw/zinc/46/87/90/490468790.db2.gz CBKWCCBYCJJWGL-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)CSCC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000535261026 490471437 /nfs/dbraw/zinc/47/14/37/490471437.db2.gz JDRHTEAVWGGNQO-HZPDHXFCSA-N 2 1 370.563 0.636 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422765479 490473467 /nfs/dbraw/zinc/47/34/67/490473467.db2.gz WEXOGDBLSRWVKN-HOTGVXAUSA-N 2 1 352.479 0.040 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000422866838 490488309 /nfs/dbraw/zinc/48/83/09/490488309.db2.gz RAKNAPCYQHNSFA-IAGOWNOFSA-N 2 1 353.488 0.818 20 0 FCADMP [NH3+]CCCCn1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000422931858 490500374 /nfs/dbraw/zinc/50/03/74/490500374.db2.gz YFORVOFHZJQQQI-UHFFFAOYSA-N 2 1 364.494 0.782 20 0 FCADMP C[NH+]1CCC(CNc2cc(NCC3CC3)[nH+]cn2)(N2CCOCC2)CC1 ZINC000413483997 490502678 /nfs/dbraw/zinc/50/26/78/490502678.db2.gz SFQMLUYSVWTVFE-UHFFFAOYSA-N 2 1 360.506 1.507 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000564857491 491331786 /nfs/dbraw/zinc/33/17/86/491331786.db2.gz ULAWTWDCVUMWMZ-LJQANCHMSA-N 2 1 366.550 0.756 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000564857491 491331789 /nfs/dbraw/zinc/33/17/89/491331789.db2.gz ULAWTWDCVUMWMZ-LJQANCHMSA-N 2 1 366.550 0.756 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423039690 490527176 /nfs/dbraw/zinc/52/71/76/490527176.db2.gz QZUWRVLNFJLZTF-HKUYNNGSSA-N 2 1 372.513 0.959 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423052207 490529830 /nfs/dbraw/zinc/52/98/30/490529830.db2.gz QDHNKRPITPWJFZ-KRWDZBQOSA-N 2 1 374.485 0.537 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423052207 490529836 /nfs/dbraw/zinc/52/98/36/490529836.db2.gz QDHNKRPITPWJFZ-KRWDZBQOSA-N 2 1 374.485 0.537 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423058241 490531919 /nfs/dbraw/zinc/53/19/19/490531919.db2.gz JAKLCZGLEUBHDS-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485619878 490549734 /nfs/dbraw/zinc/54/97/34/490549734.db2.gz MAQYSLWGWMANBP-IRXDYDNUSA-N 2 1 369.579 0.703 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000564913665 491335862 /nfs/dbraw/zinc/33/58/62/491335862.db2.gz RFCZCMHOWFMBDS-GOEBONIOSA-N 2 1 364.515 0.945 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000524780811 490559134 /nfs/dbraw/zinc/55/91/34/490559134.db2.gz WRIFLJWDEGBQJF-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000564914736 491335880 /nfs/dbraw/zinc/33/58/80/491335880.db2.gz GTBWJMNMRVNASM-KRWDZBQOSA-N 2 1 360.458 0.368 20 0 FCADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000511233367 490572254 /nfs/dbraw/zinc/57/22/54/490572254.db2.gz XQILAICNTYWSKW-KRWDZBQOSA-N 2 1 367.538 0.326 20 0 FCADMP C[C@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C1=CC[N@H+](C)CC1 ZINC000511233367 490572258 /nfs/dbraw/zinc/57/22/58/490572258.db2.gz XQILAICNTYWSKW-KRWDZBQOSA-N 2 1 367.538 0.326 20 0 FCADMP C[C@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000511233367 490572262 /nfs/dbraw/zinc/57/22/62/490572262.db2.gz XQILAICNTYWSKW-KRWDZBQOSA-N 2 1 367.538 0.326 20 0 FCADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179863 490582388 /nfs/dbraw/zinc/58/23/88/490582388.db2.gz DXQZTOYAQKOTSC-YLJYHZDGSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179860 490582899 /nfs/dbraw/zinc/58/28/99/490582899.db2.gz DXQZTOYAQKOTSC-FXAWDEMLSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000486041067 490586806 /nfs/dbraw/zinc/58/68/06/490586806.db2.gz LXZNOQNRGZCEDT-OHFALNGGSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000486041067 490586809 /nfs/dbraw/zinc/58/68/09/490586809.db2.gz LXZNOQNRGZCEDT-OHFALNGGSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000486041067 490586814 /nfs/dbraw/zinc/58/68/14/490586814.db2.gz LXZNOQNRGZCEDT-OHFALNGGSA-N 2 1 350.507 0.489 20 0 FCADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550014673 490618516 /nfs/dbraw/zinc/61/85/16/490618516.db2.gz CBVCJFHBFBUDGI-IRXDYDNUSA-N 2 1 356.470 0.730 20 0 FCADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000550014673 490618522 /nfs/dbraw/zinc/61/85/22/490618522.db2.gz CBVCJFHBFBUDGI-IRXDYDNUSA-N 2 1 356.470 0.730 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589249 490619119 /nfs/dbraw/zinc/61/91/19/490619119.db2.gz ODWZRGRNOLICRE-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1=O ZINC000525826551 490639061 /nfs/dbraw/zinc/63/90/61/490639061.db2.gz JJTBLAUZSJLKNC-HNNXBMFYSA-N 3 1 374.489 0.182 20 0 FCADMP C[NH+](C)C1(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000525823899 490639312 /nfs/dbraw/zinc/63/93/12/490639312.db2.gz XYDJSFKLOGGGGB-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000486517815 490642126 /nfs/dbraw/zinc/64/21/26/490642126.db2.gz NCHUNVNYIVVHNZ-WCXIOVBPSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486517815 490642132 /nfs/dbraw/zinc/64/21/32/490642132.db2.gz NCHUNVNYIVVHNZ-WCXIOVBPSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486517815 490642136 /nfs/dbraw/zinc/64/21/36/490642136.db2.gz NCHUNVNYIVVHNZ-WCXIOVBPSA-N 2 1 366.550 0.983 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000564985744 491343421 /nfs/dbraw/zinc/34/34/21/491343421.db2.gz MKSVHGYNWOGJJF-AEGPPILISA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000564985744 491343422 /nfs/dbraw/zinc/34/34/22/491343422.db2.gz MKSVHGYNWOGJJF-AEGPPILISA-N 2 1 363.458 0.998 20 0 FCADMP Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000486890581 490678564 /nfs/dbraw/zinc/67/85/64/490678564.db2.gz KOIZXJNBOOOTFT-RDJZCZTQSA-N 2 1 357.462 0.582 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000572050892 491345424 /nfs/dbraw/zinc/34/54/24/491345424.db2.gz VJSSOBHXDQKWQB-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000572050892 491345426 /nfs/dbraw/zinc/34/54/26/491345426.db2.gz VJSSOBHXDQKWQB-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486989800 490685091 /nfs/dbraw/zinc/68/50/91/490685091.db2.gz NLTWVNNVWFHGSY-QZWWFDLISA-N 2 1 352.523 0.737 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486989800 490685094 /nfs/dbraw/zinc/68/50/94/490685094.db2.gz NLTWVNNVWFHGSY-QZWWFDLISA-N 2 1 352.523 0.737 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486989800 490685096 /nfs/dbraw/zinc/68/50/96/490685096.db2.gz NLTWVNNVWFHGSY-QZWWFDLISA-N 2 1 352.523 0.737 20 0 FCADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000512529518 490687611 /nfs/dbraw/zinc/68/76/11/490687611.db2.gz UFEZQVRGPMKGON-HNNXBMFYSA-N 2 1 350.463 0.863 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512666940 490691958 /nfs/dbraw/zinc/69/19/58/490691958.db2.gz MYBUTJKDLLPNHE-MSOLQXFVSA-N 2 1 367.538 0.303 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000512666940 490691962 /nfs/dbraw/zinc/69/19/62/490691962.db2.gz MYBUTJKDLLPNHE-MSOLQXFVSA-N 2 1 367.538 0.303 20 0 FCADMP NC(=O)C1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CCOCC1 ZINC000502681966 490715733 /nfs/dbraw/zinc/71/57/33/490715733.db2.gz GAWKEINMSYTDIO-UHFFFAOYSA-N 2 1 353.386 0.905 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513242060 490716696 /nfs/dbraw/zinc/71/66/96/490716696.db2.gz XPPSHQURLGQIFE-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487596801 490720501 /nfs/dbraw/zinc/72/05/01/490720501.db2.gz KJKZNZVYPYZBKE-IRXDYDNUSA-N 2 1 356.511 0.632 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@@H+]1CCOC ZINC000557018320 491349652 /nfs/dbraw/zinc/34/96/52/491349652.db2.gz XIAHNFPWDDXMHA-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@H+]1CCOC ZINC000557018320 491349653 /nfs/dbraw/zinc/34/96/53/491349653.db2.gz XIAHNFPWDDXMHA-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000502777031 490721251 /nfs/dbraw/zinc/72/12/51/490721251.db2.gz KVOJFNRWFJFBJW-OAHLLOKOSA-N 2 1 353.511 0.665 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000502937491 490731485 /nfs/dbraw/zinc/73/14/85/490731485.db2.gz VWCUFPQMEUHMFS-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000502937491 490731488 /nfs/dbraw/zinc/73/14/88/490731488.db2.gz VWCUFPQMEUHMFS-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)CCCC2)CC1 ZINC000488074352 490744679 /nfs/dbraw/zinc/74/46/79/490744679.db2.gz ALUMPBWPVMRKEE-GOSISDBHSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000557090755 491352661 /nfs/dbraw/zinc/35/26/61/491352661.db2.gz OKJKCRNBFILQEK-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000557090755 491352663 /nfs/dbraw/zinc/35/26/63/491352663.db2.gz OKJKCRNBFILQEK-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527767804 490758800 /nfs/dbraw/zinc/75/88/00/490758800.db2.gz WMABZAYNHSGQLO-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000514211200 490765915 /nfs/dbraw/zinc/76/59/15/490765915.db2.gz OWGGQCXCAREQBS-IKGGRYGDSA-N 2 1 361.552 0.995 20 0 FCADMP CC(C)Nc1nc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765731 490774654 /nfs/dbraw/zinc/77/46/54/490774654.db2.gz HZSIJVXYWVMOFJ-RRFJBIMHSA-N 2 1 363.510 0.106 20 0 FCADMP CC(C)Nc1nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765731 490774656 /nfs/dbraw/zinc/77/46/56/490774656.db2.gz HZSIJVXYWVMOFJ-RRFJBIMHSA-N 2 1 363.510 0.106 20 0 FCADMP CCN1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC000565194386 491358995 /nfs/dbraw/zinc/35/89/95/491358995.db2.gz HKYQAIQFLGZJBH-LJQANCHMSA-N 2 1 352.523 0.366 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC000565194386 491358997 /nfs/dbraw/zinc/35/89/97/491358997.db2.gz HKYQAIQFLGZJBH-LJQANCHMSA-N 3 1 352.523 0.366 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC000565194386 491358999 /nfs/dbraw/zinc/35/89/99/491358999.db2.gz HKYQAIQFLGZJBH-LJQANCHMSA-N 3 1 352.523 0.366 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000565168081 491357525 /nfs/dbraw/zinc/35/75/25/491357525.db2.gz BJXKHXFMKHKROB-INIZCTEOSA-N 2 1 352.523 0.772 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000540328110 490817496 /nfs/dbraw/zinc/81/74/96/490817496.db2.gz IXAAKLBXHDVCBO-JKSUJKDBSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000540328110 490817497 /nfs/dbraw/zinc/81/74/97/490817497.db2.gz IXAAKLBXHDVCBO-JKSUJKDBSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000540328110 490817500 /nfs/dbraw/zinc/81/75/00/490817500.db2.gz IXAAKLBXHDVCBO-JKSUJKDBSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000540328110 490817504 /nfs/dbraw/zinc/81/75/04/490817504.db2.gz IXAAKLBXHDVCBO-JKSUJKDBSA-N 2 1 354.495 0.996 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC000565184925 491358533 /nfs/dbraw/zinc/35/85/33/491358533.db2.gz DVMLABDTRXWHBE-SJORKVTESA-N 2 1 366.506 0.332 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCSc1nnnn1C ZINC000505766331 490838990 /nfs/dbraw/zinc/83/89/90/490838990.db2.gz ODVFLLXTJJPUOK-CQSZACIVSA-N 2 1 369.539 0.567 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](O)C[C@H]3C(=O)OC)CC2)CC1 ZINC000516193591 490856069 /nfs/dbraw/zinc/85/60/69/490856069.db2.gz NYNRXIJBOYHQNQ-IRXDYDNUSA-N 2 1 367.490 0.318 20 0 FCADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)CC2)c1 ZINC000516297764 490859909 /nfs/dbraw/zinc/85/99/09/490859909.db2.gz MSZTYZRXCAZRGK-FQEVSTJZSA-N 2 1 371.529 0.623 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000557251843 491362112 /nfs/dbraw/zinc/36/21/12/491362112.db2.gz ZZQUFATZBXYAAC-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000557251843 491362113 /nfs/dbraw/zinc/36/21/13/491362113.db2.gz ZZQUFATZBXYAAC-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000516430662 490863459 /nfs/dbraw/zinc/86/34/59/490863459.db2.gz FJXULZPXSAKPPV-IYBDPMFKSA-N 2 1 353.511 0.476 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000516496067 490866060 /nfs/dbraw/zinc/86/60/60/490866060.db2.gz XZHWROJNCMYGFU-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000557251801 491362566 /nfs/dbraw/zinc/36/25/66/491362566.db2.gz ZSBSXSYDSYHQCD-INIZCTEOSA-N 2 1 368.522 0.309 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000516869108 490882096 /nfs/dbraw/zinc/88/20/96/490882096.db2.gz ACNAKJANKZPXFL-CQSZACIVSA-N 3 1 360.462 0.030 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878202 490882764 /nfs/dbraw/zinc/88/27/64/490882764.db2.gz BXLDBNLYHZVUCS-HUUCEWRRSA-N 2 1 369.425 0.592 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000516878202 490882766 /nfs/dbraw/zinc/88/27/66/490882766.db2.gz BXLDBNLYHZVUCS-HUUCEWRRSA-N 2 1 369.425 0.592 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000530430167 490905486 /nfs/dbraw/zinc/90/54/86/490905486.db2.gz IIZFPXRCRTUZQM-CYBMUJFWSA-N 2 1 357.524 0.682 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000518004460 490928158 /nfs/dbraw/zinc/92/81/58/490928158.db2.gz UUYRJLIMCPBZOH-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000518004460 490928159 /nfs/dbraw/zinc/92/81/59/490928159.db2.gz UUYRJLIMCPBZOH-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000518004460 490928161 /nfs/dbraw/zinc/92/81/61/490928161.db2.gz UUYRJLIMCPBZOH-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000518290143 490936162 /nfs/dbraw/zinc/93/61/62/490936162.db2.gz BBLXNBBNGOQTCY-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000518380829 490938899 /nfs/dbraw/zinc/93/88/99/490938899.db2.gz AZHLSNQBMZMUOT-HXUWFJFHSA-N 2 1 371.529 0.310 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000518440906 490941491 /nfs/dbraw/zinc/94/14/91/490941491.db2.gz WJJWLHYRXRQBPF-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440906 490941493 /nfs/dbraw/zinc/94/14/93/490941493.db2.gz WJJWLHYRXRQBPF-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440906 490941494 /nfs/dbraw/zinc/94/14/94/490941494.db2.gz WJJWLHYRXRQBPF-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH2+]CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518535748 490944650 /nfs/dbraw/zinc/94/46/50/490944650.db2.gz HQXRAVZILFHHFK-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252966 491365929 /nfs/dbraw/zinc/36/59/29/491365929.db2.gz FZXVTQIFIYOGPQ-HYVNUMGLSA-N 2 1 359.474 0.460 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000531344007 490952964 /nfs/dbraw/zinc/95/29/64/490952964.db2.gz WTDZJSOYAZXJLB-KRWDZBQOSA-N 2 1 351.495 0.811 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000531344007 490952967 /nfs/dbraw/zinc/95/29/67/490952967.db2.gz WTDZJSOYAZXJLB-KRWDZBQOSA-N 2 1 351.495 0.811 20 0 FCADMP C[C@@H](C[S@@](C)=O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000544128446 490958150 /nfs/dbraw/zinc/95/81/50/490958150.db2.gz OZBNSWRHBVCLFL-ODCWNRFASA-N 2 1 367.519 0.660 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000519360710 490969497 /nfs/dbraw/zinc/96/94/97/490969497.db2.gz RPTZGHODAWRUOG-RCCFBDPRSA-N 2 1 365.522 0.319 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000519370814 490969946 /nfs/dbraw/zinc/96/99/46/490969946.db2.gz WTACMFDMOBQBAY-KRWDZBQOSA-N 2 1 361.490 0.887 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000519548698 490975576 /nfs/dbraw/zinc/97/55/76/490975576.db2.gz BDWMFWZGQKJQMZ-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000519567629 490976990 /nfs/dbraw/zinc/97/69/90/490976990.db2.gz MEQZICNPKFBIRX-INMHGKMJSA-N 2 1 366.506 0.297 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532027685 490983604 /nfs/dbraw/zinc/98/36/04/490983604.db2.gz GEHUQGLYSZYTOV-MSOLQXFVSA-N 2 1 368.522 0.728 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000519748699 490987826 /nfs/dbraw/zinc/98/78/26/490987826.db2.gz SKDMXCBOUVMTAJ-UHFFFAOYSA-N 2 1 362.474 0.616 20 0 FCADMP CCCN(CC[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000532217389 490989566 /nfs/dbraw/zinc/98/95/66/490989566.db2.gz ZRALGUHQEZDQEY-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000532264887 490990048 /nfs/dbraw/zinc/99/00/48/490990048.db2.gz ZMXJSEQJRGMULI-YESZJQIVSA-N 2 1 354.495 0.384 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000569478962 491163334 /nfs/dbraw/zinc/16/33/34/491163334.db2.gz RTAIKQIEQNNXPH-HUUCEWRRSA-N 2 1 352.866 0.927 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557381308 491371731 /nfs/dbraw/zinc/37/17/31/491371731.db2.gz JPMSFULZKRRLBB-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557381308 491371733 /nfs/dbraw/zinc/37/17/33/491371733.db2.gz JPMSFULZKRRLBB-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000557381308 491371736 /nfs/dbraw/zinc/37/17/36/491371736.db2.gz JPMSFULZKRRLBB-HUUCEWRRSA-N 2 1 356.511 0.137 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422459 491374053 /nfs/dbraw/zinc/37/40/53/491374053.db2.gz XFMXKHWSDIOTLU-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422459 491374056 /nfs/dbraw/zinc/37/40/56/491374056.db2.gz XFMXKHWSDIOTLU-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422459 491374058 /nfs/dbraw/zinc/37/40/58/491374058.db2.gz XFMXKHWSDIOTLU-BBWFWOEESA-N 2 1 368.522 0.593 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257040 493337666 /nfs/dbraw/zinc/33/76/66/493337666.db2.gz GQEQTAJPYKVCJF-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257040 493337669 /nfs/dbraw/zinc/33/76/69/493337669.db2.gz GQEQTAJPYKVCJF-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257040 493337670 /nfs/dbraw/zinc/33/76/70/493337670.db2.gz GQEQTAJPYKVCJF-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257040 493337672 /nfs/dbraw/zinc/33/76/72/493337672.db2.gz GQEQTAJPYKVCJF-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000557555021 491382486 /nfs/dbraw/zinc/38/24/86/491382486.db2.gz QSEKWEOJWVIBMO-KRWDZBQOSA-N 2 1 368.522 0.282 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000557555021 491382489 /nfs/dbraw/zinc/38/24/89/491382489.db2.gz QSEKWEOJWVIBMO-KRWDZBQOSA-N 2 1 368.522 0.282 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000557555021 491382492 /nfs/dbraw/zinc/38/24/92/491382492.db2.gz QSEKWEOJWVIBMO-KRWDZBQOSA-N 2 1 368.522 0.282 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000557566197 491383670 /nfs/dbraw/zinc/38/36/70/491383670.db2.gz PSWAHJKMYYIESV-WBVHZDCISA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000557566197 491383672 /nfs/dbraw/zinc/38/36/72/491383672.db2.gz PSWAHJKMYYIESV-WBVHZDCISA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566197 491383674 /nfs/dbraw/zinc/38/36/74/491383674.db2.gz PSWAHJKMYYIESV-WBVHZDCISA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566197 491383676 /nfs/dbraw/zinc/38/36/76/491383676.db2.gz PSWAHJKMYYIESV-WBVHZDCISA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000557572020 491383889 /nfs/dbraw/zinc/38/38/89/491383889.db2.gz KGEVFLHMUAKFGR-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000565643842 491390540 /nfs/dbraw/zinc/39/05/40/491390540.db2.gz HQUQSUWDEYDUNI-CVEARBPZSA-N 2 1 359.474 0.743 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000565643842 491390542 /nfs/dbraw/zinc/39/05/42/491390542.db2.gz HQUQSUWDEYDUNI-CVEARBPZSA-N 2 1 359.474 0.743 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000565706718 491394072 /nfs/dbraw/zinc/39/40/72/491394072.db2.gz MXOBWQZCYXKSBW-UHFFFAOYSA-N 2 1 363.481 0.948 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000565706718 491394075 /nfs/dbraw/zinc/39/40/75/491394075.db2.gz MXOBWQZCYXKSBW-UHFFFAOYSA-N 2 1 363.481 0.948 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000565727597 491395775 /nfs/dbraw/zinc/39/57/75/491395775.db2.gz PINRFJYASHFAHZ-KRWDZBQOSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000572860392 491398130 /nfs/dbraw/zinc/39/81/30/491398130.db2.gz DFNUONSWWSPURV-KRWDZBQOSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000572884343 491399939 /nfs/dbraw/zinc/39/99/39/491399939.db2.gz ARNKFHFNJHJBAR-XQQFMLRXSA-N 2 1 364.412 0.715 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000557904611 491404363 /nfs/dbraw/zinc/40/43/63/491404363.db2.gz JDEKQANPOUMASC-GOEBONIOSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1[C@@H](C)[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1C ZINC000573075276 491410455 /nfs/dbraw/zinc/41/04/55/491410455.db2.gz UIONKRGDZUIQCU-RBSFLKMASA-N 2 1 371.489 0.988 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000566197811 491425064 /nfs/dbraw/zinc/42/50/64/491425064.db2.gz QOWUUZHDOYMKSI-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@H]1CCN(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000558358579 491427145 /nfs/dbraw/zinc/42/71/45/491427145.db2.gz AZUDWNBUDCQPIP-INIZCTEOSA-N 2 1 367.519 0.770 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1nc2ccccc2s1 ZINC000566303600 491434038 /nfs/dbraw/zinc/43/40/38/491434038.db2.gz DDZAXRCESLRZED-OAHLLOKOSA-N 2 1 373.526 0.935 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1nc2ccccc2s1 ZINC000566303600 491434039 /nfs/dbraw/zinc/43/40/39/491434039.db2.gz DDZAXRCESLRZED-OAHLLOKOSA-N 2 1 373.526 0.935 20 0 FCADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000566306200 491434505 /nfs/dbraw/zinc/43/45/05/491434505.db2.gz IVPSABXVCSYHSI-UHFFFAOYSA-N 2 1 374.485 0.941 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389130 493345830 /nfs/dbraw/zinc/34/58/30/493345830.db2.gz ROWSXJCYYZEXCF-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668389130 493345833 /nfs/dbraw/zinc/34/58/33/493345833.db2.gz ROWSXJCYYZEXCF-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668389130 493345837 /nfs/dbraw/zinc/34/58/37/493345837.db2.gz ROWSXJCYYZEXCF-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1)Cc1ccccc1 ZINC000566412676 491442152 /nfs/dbraw/zinc/44/21/52/491442152.db2.gz JBSSMCSSFBFSIV-QGZVFWFLSA-N 2 1 372.469 0.362 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1)Cc1ccccc1 ZINC000566412676 491442153 /nfs/dbraw/zinc/44/21/53/491442153.db2.gz JBSSMCSSFBFSIV-QGZVFWFLSA-N 2 1 372.469 0.362 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000566418735 491442186 /nfs/dbraw/zinc/44/21/86/491442186.db2.gz IUJLXYZIYRQONR-FQEVSTJZSA-N 2 1 374.485 0.310 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000573674889 491447453 /nfs/dbraw/zinc/44/74/53/491447453.db2.gz GUQBWNXKUJQCOI-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@@H]1O ZINC000573722901 491450499 /nfs/dbraw/zinc/45/04/99/491450499.db2.gz ZLSPZBGMBRZKGX-JVSBHGNQSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@@H]1O ZINC000573722901 491450502 /nfs/dbraw/zinc/45/05/02/491450502.db2.gz ZLSPZBGMBRZKGX-JVSBHGNQSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@@H]1O ZINC000573722901 491450504 /nfs/dbraw/zinc/45/05/04/491450504.db2.gz ZLSPZBGMBRZKGX-JVSBHGNQSA-N 2 1 364.486 0.037 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000660329326 493343688 /nfs/dbraw/zinc/34/36/88/493343688.db2.gz IGKUASFETXJWEO-UHFFFAOYSA-N 2 1 365.522 0.618 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000566695194 491460929 /nfs/dbraw/zinc/46/09/29/491460929.db2.gz BDQXEXJPVHRXAF-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[NH+]1CCN(C)CC1 ZINC000566795914 491467665 /nfs/dbraw/zinc/46/76/65/491467665.db2.gz XRJLEPMKQUAPKW-INIZCTEOSA-N 2 1 351.499 0.019 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559404938 491470618 /nfs/dbraw/zinc/47/06/18/491470618.db2.gz LWADKACYAQOBDH-KRWDZBQOSA-N 2 1 362.474 0.072 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000559416724 491471051 /nfs/dbraw/zinc/47/10/51/491471051.db2.gz SPKGIHPSBVGYAP-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441096 491473317 /nfs/dbraw/zinc/47/33/17/491473317.db2.gz KDULEBHLMVSJLD-RDJZCZTQSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000559441096 491473319 /nfs/dbraw/zinc/47/33/19/491473319.db2.gz KDULEBHLMVSJLD-RDJZCZTQSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000559441096 491473321 /nfs/dbraw/zinc/47/33/21/491473321.db2.gz KDULEBHLMVSJLD-RDJZCZTQSA-N 2 1 366.506 0.060 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000559466186 491476085 /nfs/dbraw/zinc/47/60/85/491476085.db2.gz XPZDHXMOMCMQIC-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000574188552 491479933 /nfs/dbraw/zinc/47/99/33/491479933.db2.gz QGUSSOXXJLTVMB-OAHLLOKOSA-N 2 1 364.515 0.632 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000567063484 491483861 /nfs/dbraw/zinc/48/38/61/491483861.db2.gz ZIQHUHPNSNWKLB-MRXNPFEDSA-N 2 1 361.490 0.121 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cn2cc[nH+]c12 ZINC000559610321 491485482 /nfs/dbraw/zinc/48/54/82/491485482.db2.gz ACHLGDCBUXKPMC-MRXNPFEDSA-N 2 1 373.457 0.790 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124627 491487239 /nfs/dbraw/zinc/48/72/39/491487239.db2.gz NQSLKSYSHHHHCI-KURKYZTESA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124627 491487241 /nfs/dbraw/zinc/48/72/41/491487241.db2.gz NQSLKSYSHHHHCI-KURKYZTESA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000567124627 491487244 /nfs/dbraw/zinc/48/72/44/491487244.db2.gz NQSLKSYSHHHHCI-KURKYZTESA-N 2 1 359.470 0.805 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000567201684 491491636 /nfs/dbraw/zinc/49/16/36/491491636.db2.gz HQNQYYNCDZLFCI-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000567201684 491491638 /nfs/dbraw/zinc/49/16/38/491491638.db2.gz HQNQYYNCDZLFCI-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000567201684 491491640 /nfs/dbraw/zinc/49/16/40/491491640.db2.gz HQNQYYNCDZLFCI-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000559702549 491492641 /nfs/dbraw/zinc/49/26/41/491492641.db2.gz KNFCLXVZBQCPRQ-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)C[NH+](C)C)c1 ZINC000567224054 491492993 /nfs/dbraw/zinc/49/29/93/491492993.db2.gz DLSFYMGUPUQTMS-UHFFFAOYSA-N 2 1 356.492 0.807 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398047 491493554 /nfs/dbraw/zinc/49/35/54/491493554.db2.gz ZJHXEBRFBQGVCR-CVEARBPZSA-N 2 1 363.510 0.034 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000559760931 491497164 /nfs/dbraw/zinc/49/71/64/491497164.db2.gz SFYGGNMAUGYURV-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567356390 491501465 /nfs/dbraw/zinc/50/14/65/491501465.db2.gz JRQLGPMIUZDUGO-PKOBYXMFSA-N 2 1 352.523 0.805 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000574549429 491504502 /nfs/dbraw/zinc/50/45/02/491504502.db2.gz TZUSQAQERSPXNG-MOPGFXCFSA-N 2 1 372.513 0.865 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN(CC[NH+](C)C)Cc2ccccn2)C[C@@H](C)O1 ZINC000574581415 491506628 /nfs/dbraw/zinc/50/66/28/491506628.db2.gz JZKHUUIQDTZYNN-LMMKCTJWSA-N 2 1 350.507 0.915 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567581236 491515164 /nfs/dbraw/zinc/51/51/64/491515164.db2.gz JUUOFHURJAZMKH-BZSNNMDCSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567581236 491515165 /nfs/dbraw/zinc/51/51/65/491515165.db2.gz JUUOFHURJAZMKH-BZSNNMDCSA-N 2 1 368.522 0.776 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981666 491531133 /nfs/dbraw/zinc/53/11/33/491531133.db2.gz YSUAGEOGXLKQGO-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567815066 491531668 /nfs/dbraw/zinc/53/16/68/491531668.db2.gz VFAMNSGTDOGQAX-ZBEGNZNMSA-N 2 1 356.829 0.663 20 0 FCADMP C[C@H](NC(=O)c1cn(CCCC[NH3+])nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000567826282 491532542 /nfs/dbraw/zinc/53/25/42/491532542.db2.gz YHHDWAPHSXVYGZ-HNNXBMFYSA-N 2 1 364.494 0.780 20 0 FCADMP Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCOCC[NH3+])C2)cc1 ZINC000567897457 491539406 /nfs/dbraw/zinc/53/94/06/491539406.db2.gz PBDFZYLBCFANDD-INIZCTEOSA-N 2 1 355.504 0.961 20 0 FCADMP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000575122483 491540669 /nfs/dbraw/zinc/54/06/69/491540669.db2.gz RWIYQFLMJZBTJY-TVPLGVNVSA-N 2 1 364.534 0.962 20 0 FCADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000575122483 491540671 /nfs/dbraw/zinc/54/06/71/491540671.db2.gz RWIYQFLMJZBTJY-TVPLGVNVSA-N 2 1 364.534 0.962 20 0 FCADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000575122483 491540673 /nfs/dbraw/zinc/54/06/73/491540673.db2.gz RWIYQFLMJZBTJY-TVPLGVNVSA-N 2 1 364.534 0.962 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000575234086 491546723 /nfs/dbraw/zinc/54/67/23/491546723.db2.gz LRCRZDGNSRJPSX-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000560793821 491558001 /nfs/dbraw/zinc/55/80/01/491558001.db2.gz QNFGODVCKSHSQI-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000560793821 491558004 /nfs/dbraw/zinc/55/80/04/491558004.db2.gz QNFGODVCKSHSQI-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000560793821 491558007 /nfs/dbraw/zinc/55/80/07/491558007.db2.gz QNFGODVCKSHSQI-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1=O ZINC000560835336 491559680 /nfs/dbraw/zinc/55/96/80/491559680.db2.gz QXTPVHADQCBWKI-MOPGFXCFSA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1=O ZINC000560835336 491559681 /nfs/dbraw/zinc/55/96/81/491559681.db2.gz QXTPVHADQCBWKI-MOPGFXCFSA-N 2 1 372.513 0.782 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1Cc1ccccc1 ZINC000575794335 491561106 /nfs/dbraw/zinc/56/11/06/491561106.db2.gz WYCVQZWGEDEVPQ-CEXWTWQISA-N 2 1 370.497 0.725 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1Cc1ccccc1 ZINC000575794335 491561107 /nfs/dbraw/zinc/56/11/07/491561107.db2.gz WYCVQZWGEDEVPQ-CEXWTWQISA-N 2 1 370.497 0.725 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288175 491566916 /nfs/dbraw/zinc/56/69/16/491566916.db2.gz WDONRKPTRPVHHZ-NRSFXHEJSA-N 2 1 371.485 0.603 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000568372876 491572115 /nfs/dbraw/zinc/57/21/15/491572115.db2.gz BISNLFGODYMZHD-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000568420335 491576245 /nfs/dbraw/zinc/57/62/45/491576245.db2.gz FSRIZJSRCLCAIG-QGZVFWFLSA-N 2 1 368.522 0.308 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000561122755 491576650 /nfs/dbraw/zinc/57/66/50/491576650.db2.gz RELNHEFYQVCXIQ-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000577035471 491583016 /nfs/dbraw/zinc/58/30/16/491583016.db2.gz KJWHIUVODBLBLJ-INIZCTEOSA-N 2 1 353.511 0.605 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045378 491583463 /nfs/dbraw/zinc/58/34/63/491583463.db2.gz JIEONRDYFZDFDV-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045378 491583466 /nfs/dbraw/zinc/58/34/66/491583466.db2.gz JIEONRDYFZDFDV-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045378 491583469 /nfs/dbraw/zinc/58/34/69/491583469.db2.gz JIEONRDYFZDFDV-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045378 491583471 /nfs/dbraw/zinc/58/34/71/491583471.db2.gz JIEONRDYFZDFDV-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1=O ZINC000673650359 493352848 /nfs/dbraw/zinc/35/28/48/493352848.db2.gz OQJIDUYEGAZRGG-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425256 491590674 /nfs/dbraw/zinc/59/06/74/491590674.db2.gz ONERPFWIXPHBLW-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000568608990 491590958 /nfs/dbraw/zinc/59/09/58/491590958.db2.gz RAQMIIRAPUOWNW-GOEBONIOSA-N 2 1 351.495 0.500 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584460157 491593717 /nfs/dbraw/zinc/59/37/17/491593717.db2.gz HYYXZBSXSMFRDE-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584460157 491593719 /nfs/dbraw/zinc/59/37/19/491593719.db2.gz HYYXZBSXSMFRDE-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584459981 491593809 /nfs/dbraw/zinc/59/38/09/491593809.db2.gz ISXKQPMLGHFGQR-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584459981 491593810 /nfs/dbraw/zinc/59/38/10/491593810.db2.gz ISXKQPMLGHFGQR-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000576253836 491598005 /nfs/dbraw/zinc/59/80/05/491598005.db2.gz FVKURDORDFCPJH-CYBMUJFWSA-N 2 1 365.503 0.226 20 0 FCADMP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000576253836 491598007 /nfs/dbraw/zinc/59/80/07/491598007.db2.gz FVKURDORDFCPJH-CYBMUJFWSA-N 2 1 365.503 0.226 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000577218830 491604128 /nfs/dbraw/zinc/60/41/28/491604128.db2.gz LAIOKZGSKAJVJF-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673662167 493354834 /nfs/dbraw/zinc/35/48/34/493354834.db2.gz MMMGKPLOLDQRQT-DYXWJJEUSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673662167 493354836 /nfs/dbraw/zinc/35/48/36/493354836.db2.gz MMMGKPLOLDQRQT-DYXWJJEUSA-N 2 1 373.497 0.681 20 0 FCADMP CS(=O)(=O)N(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000577270915 491608645 /nfs/dbraw/zinc/60/86/45/491608645.db2.gz QKYQERNVUFGLEY-SFHVURJKSA-N 2 1 366.531 0.428 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000577359770 491614704 /nfs/dbraw/zinc/61/47/04/491614704.db2.gz XQGOTDWEEIYZOS-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000561674744 491624110 /nfs/dbraw/zinc/62/41/10/491624110.db2.gz GFNOLQPMJIVIOP-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660482436 493355832 /nfs/dbraw/zinc/35/58/32/493355832.db2.gz WPHRLZVJXDELQY-UHFFFAOYSA-N 2 1 370.538 0.482 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660482436 493355836 /nfs/dbraw/zinc/35/58/36/493355836.db2.gz WPHRLZVJXDELQY-UHFFFAOYSA-N 2 1 370.538 0.482 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000576570851 491625450 /nfs/dbraw/zinc/62/54/50/491625450.db2.gz HXVNHVCBYBVPJV-INIZCTEOSA-N 2 1 366.487 0.737 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569002302 491626662 /nfs/dbraw/zinc/62/66/62/491626662.db2.gz ASJHJHOKMIZYGD-XUWVNRHRSA-N 2 1 368.522 0.576 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000569025145 491628314 /nfs/dbraw/zinc/62/83/14/491628314.db2.gz BWWFBTIEHZROJA-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562971 491632826 /nfs/dbraw/zinc/63/28/26/491632826.db2.gz YPQHYTMRMSVGBP-WMLDXEAASA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000577672585 491641780 /nfs/dbraw/zinc/64/17/80/491641780.db2.gz XQKPTHMNPIOANN-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000577672585 491641781 /nfs/dbraw/zinc/64/17/81/491641781.db2.gz XQKPTHMNPIOANN-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000577672585 491641782 /nfs/dbraw/zinc/64/17/82/491641782.db2.gz XQKPTHMNPIOANN-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000569251165 491646293 /nfs/dbraw/zinc/64/62/93/491646293.db2.gz JPCGDCXKOSKXMA-HOCLYGCPSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569251165 491646296 /nfs/dbraw/zinc/64/62/96/491646296.db2.gz JPCGDCXKOSKXMA-HOCLYGCPSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569251165 491646298 /nfs/dbraw/zinc/64/62/98/491646298.db2.gz JPCGDCXKOSKXMA-HOCLYGCPSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH2+][C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000577753452 491649390 /nfs/dbraw/zinc/64/93/90/491649390.db2.gz GGZXARXMWBPMII-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849743 491650512 /nfs/dbraw/zinc/65/05/12/491650512.db2.gz DJPBWHOLFRYOLJ-XWTMOSNGSA-N 2 1 374.460 0.822 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849741 491650604 /nfs/dbraw/zinc/65/06/04/491650604.db2.gz DJPBWHOLFRYOLJ-MHORFTMASA-N 2 1 374.460 0.822 20 0 FCADMP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000577851221 491657020 /nfs/dbraw/zinc/65/70/20/491657020.db2.gz GGRNPOTXJCHTDF-VVLHAWIVSA-N 2 1 371.547 0.732 20 0 FCADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000577851221 491657022 /nfs/dbraw/zinc/65/70/22/491657022.db2.gz GGRNPOTXJCHTDF-VVLHAWIVSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668464456 493358983 /nfs/dbraw/zinc/35/89/83/493358983.db2.gz DETATQVGEUWDFQ-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668464456 493358986 /nfs/dbraw/zinc/35/89/86/493358986.db2.gz DETATQVGEUWDFQ-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668464456 493358989 /nfs/dbraw/zinc/35/89/89/493358989.db2.gz DETATQVGEUWDFQ-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569457895 491662615 /nfs/dbraw/zinc/66/26/15/491662615.db2.gz QIFOLFIQRAHGQL-GOSISDBHSA-N 2 1 374.485 0.332 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343134 491675081 /nfs/dbraw/zinc/67/50/81/491675081.db2.gz CCNYRSVCLZMMLV-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343134 491675082 /nfs/dbraw/zinc/67/50/82/491675082.db2.gz CCNYRSVCLZMMLV-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000578510056 491678726 /nfs/dbraw/zinc/67/87/26/491678726.db2.gz YEELJCDLLXGSAT-BFYDXBDKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000578510056 491678727 /nfs/dbraw/zinc/67/87/27/491678727.db2.gz YEELJCDLLXGSAT-BFYDXBDKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000578510056 491678728 /nfs/dbraw/zinc/67/87/28/491678728.db2.gz YEELJCDLLXGSAT-BFYDXBDKSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254195 491694209 /nfs/dbraw/zinc/69/42/09/491694209.db2.gz AKLAGMKDFIASLN-HUUCEWRRSA-N 2 1 355.483 0.597 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@H]1C ZINC000579364524 491696543 /nfs/dbraw/zinc/69/65/43/491696543.db2.gz LURBQKVNLHYJDF-HUUCEWRRSA-N 2 1 361.490 0.819 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000579392504 491697015 /nfs/dbraw/zinc/69/70/15/491697015.db2.gz CSLMTZQDJMBMTO-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCCCC1 ZINC000579394439 491697273 /nfs/dbraw/zinc/69/72/73/491697273.db2.gz NJMUZJLEMOAVSE-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579700056 491703231 /nfs/dbraw/zinc/70/32/31/491703231.db2.gz LOPWFJALXSTXKN-XLMAVXFVSA-N 2 1 360.502 0.530 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000584580949 491708487 /nfs/dbraw/zinc/70/84/87/491708487.db2.gz MIIGYBRRQZDVTF-ZRGWGRIASA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000584580949 491708489 /nfs/dbraw/zinc/70/84/89/491708489.db2.gz MIIGYBRRQZDVTF-ZRGWGRIASA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579930078 491709529 /nfs/dbraw/zinc/70/95/29/491709529.db2.gz QESNOVPJNGBRCZ-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579930078 491709530 /nfs/dbraw/zinc/70/95/30/491709530.db2.gz QESNOVPJNGBRCZ-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579930078 491709532 /nfs/dbraw/zinc/70/95/32/491709532.db2.gz QESNOVPJNGBRCZ-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCCC1 ZINC000584669957 491709835 /nfs/dbraw/zinc/70/98/35/491709835.db2.gz VSRQMEOGPUHLED-INIZCTEOSA-N 2 1 368.522 0.140 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000580058041 491715311 /nfs/dbraw/zinc/71/53/11/491715311.db2.gz RTSRTEIUZZAXMG-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000580058038 491715419 /nfs/dbraw/zinc/71/54/19/491715419.db2.gz RTSRTEIUZZAXMG-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580118247 491718381 /nfs/dbraw/zinc/71/83/81/491718381.db2.gz AFTQYEBZSVPQID-OIISXLGYSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000668487135 493362146 /nfs/dbraw/zinc/36/21/46/493362146.db2.gz VPBGTKFDNOAGLO-GOSISDBHSA-N 2 1 373.501 0.763 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580715055 491743021 /nfs/dbraw/zinc/74/30/21/491743021.db2.gz YEALZMBXHPNBQL-LVQVYYBASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580715055 491743023 /nfs/dbraw/zinc/74/30/23/491743023.db2.gz YEALZMBXHPNBQL-LVQVYYBASA-N 2 1 357.520 0.342 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000580765387 491744440 /nfs/dbraw/zinc/74/44/40/491744440.db2.gz IWZGBOBPAQHTOG-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000580765387 491744441 /nfs/dbraw/zinc/74/44/41/491744441.db2.gz IWZGBOBPAQHTOG-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000580765387 491744443 /nfs/dbraw/zinc/74/44/43/491744443.db2.gz IWZGBOBPAQHTOG-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882634 491750109 /nfs/dbraw/zinc/75/01/09/491750109.db2.gz GFAJBRMXPCQVMT-MRVWCRGKSA-N 2 1 363.428 0.604 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589219133 491757681 /nfs/dbraw/zinc/75/76/81/491757681.db2.gz BRYBOQRYNJHHQT-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000581146427 491761426 /nfs/dbraw/zinc/76/14/26/491761426.db2.gz SOXMWAHHSFHDNY-MRXNPFEDSA-N 2 1 368.522 0.140 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000581300363 491767727 /nfs/dbraw/zinc/76/77/27/491767727.db2.gz NCNILMZYDOIYNB-SFHVURJKSA-N 2 1 361.490 0.438 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581500304 491775373 /nfs/dbraw/zinc/77/53/73/491775373.db2.gz MXOUUOGRAIWUSN-RBUKOAKNSA-N 2 1 372.513 0.878 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000581613737 491780200 /nfs/dbraw/zinc/78/02/00/491780200.db2.gz UYLCJCLJGYUNPZ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581613737 491780201 /nfs/dbraw/zinc/78/02/01/491780201.db2.gz UYLCJCLJGYUNPZ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581613737 491780203 /nfs/dbraw/zinc/78/02/03/491780203.db2.gz UYLCJCLJGYUNPZ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581683131 491782603 /nfs/dbraw/zinc/78/26/03/491782603.db2.gz CAMSZEUMZSQISR-JYJNAYRXSA-N 2 1 356.511 0.448 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583932 493363905 /nfs/dbraw/zinc/36/39/05/493363905.db2.gz GPORDYSGOUOMMZ-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583932 493363906 /nfs/dbraw/zinc/36/39/06/493363906.db2.gz GPORDYSGOUOMMZ-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000660583932 493363908 /nfs/dbraw/zinc/36/39/08/493363908.db2.gz GPORDYSGOUOMMZ-CABCVRRESA-N 2 1 353.511 0.746 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835864 491786975 /nfs/dbraw/zinc/78/69/75/491786975.db2.gz MJGHEJRAGQJEOT-KZNAEPCWSA-N 2 1 372.469 0.048 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835864 491786976 /nfs/dbraw/zinc/78/69/76/491786976.db2.gz MJGHEJRAGQJEOT-KZNAEPCWSA-N 2 1 372.469 0.048 20 0 FCADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000581933363 491790840 /nfs/dbraw/zinc/79/08/40/491790840.db2.gz PGSTVZGNPJRCKS-UHFFFAOYSA-N 2 1 361.490 0.628 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582231544 491803163 /nfs/dbraw/zinc/80/31/63/491803163.db2.gz NHOZSDSDIFSRJD-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000582235621 491803370 /nfs/dbraw/zinc/80/33/70/491803370.db2.gz IFSBSRRQTHRVNL-SQGPQFPESA-N 2 1 356.470 0.494 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000582295375 491806131 /nfs/dbraw/zinc/80/61/31/491806131.db2.gz DUWHLHYWNVGDFD-HZPDHXFCSA-N 2 1 372.469 0.828 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000591586488 491809719 /nfs/dbraw/zinc/80/97/19/491809719.db2.gz MGCLHJUCZBEZOG-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCSC1 ZINC000582560886 491817878 /nfs/dbraw/zinc/81/78/78/491817878.db2.gz RXAPFJOJAXSCGT-KRWDZBQOSA-N 2 1 356.536 0.531 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000582595438 491819096 /nfs/dbraw/zinc/81/90/96/491819096.db2.gz CWSZRUAWXDGENO-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)cn2)CC1 ZINC000582624693 491820322 /nfs/dbraw/zinc/82/03/22/491820322.db2.gz UYZYYSSUVNSEJK-PKOBYXMFSA-N 2 1 361.490 0.638 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000582716591 491823650 /nfs/dbraw/zinc/82/36/50/491823650.db2.gz UVYATNFBBSFEFE-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000582716591 491823651 /nfs/dbraw/zinc/82/36/51/491823651.db2.gz UVYATNFBBSFEFE-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740279 491824788 /nfs/dbraw/zinc/82/47/88/491824788.db2.gz KDZMEEVYOTWVGY-SUMWQHHRSA-N 2 1 354.520 0.140 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]21 ZINC000582846038 491829085 /nfs/dbraw/zinc/82/90/85/491829085.db2.gz UVSIKWDPIOPUPP-IXDOHACOSA-N 2 1 350.507 0.955 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC000582978895 491835020 /nfs/dbraw/zinc/83/50/20/491835020.db2.gz YBLYMKWPHYGJNC-QGZVFWFLSA-N 2 1 370.538 0.839 20 0 FCADMP Cc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000583012384 491836090 /nfs/dbraw/zinc/83/60/90/491836090.db2.gz RQZWFYRMVWLNKD-UHFFFAOYSA-N 2 1 373.457 0.446 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000583226803 491840611 /nfs/dbraw/zinc/84/06/11/491840611.db2.gz SYBHOEKYUJRMKR-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434842 491844743 /nfs/dbraw/zinc/84/47/43/491844743.db2.gz GHNRWGJPFWTTNH-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467619 491845512 /nfs/dbraw/zinc/84/55/12/491845512.db2.gz JLLVJOMCZZQANO-WBVHZDCISA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000583467619 491845513 /nfs/dbraw/zinc/84/55/13/491845513.db2.gz JLLVJOMCZZQANO-WBVHZDCISA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000583467619 491845514 /nfs/dbraw/zinc/84/55/14/491845514.db2.gz JLLVJOMCZZQANO-WBVHZDCISA-N 2 1 362.518 0.943 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583592442 491848358 /nfs/dbraw/zinc/84/83/58/491848358.db2.gz IVJSAGHTZJFQMA-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)N(C[C@@H](O)C[N@H+](C)CC)CC1(C)C ZINC000583761301 491851526 /nfs/dbraw/zinc/85/15/26/491851526.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@@H](O)C[N@H+](C)CC)C[C@@H]1C ZINC000583761301 491851527 /nfs/dbraw/zinc/85/15/27/491851527.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000583761301 491851528 /nfs/dbraw/zinc/85/15/28/491851528.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 2 1 358.571 0.396 20 0 FCADMP Cn1nnc2c1C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC2 ZINC000583785866 491852086 /nfs/dbraw/zinc/85/20/86/491852086.db2.gz XCFBSDNMPVZZGE-ZDUSSCGKSA-N 2 1 355.446 0.706 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000583812950 491852478 /nfs/dbraw/zinc/85/24/78/491852478.db2.gz ARLGTWPFBOJPCP-BHYGNILZSA-N 2 1 360.458 0.226 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000583812950 491852479 /nfs/dbraw/zinc/85/24/79/491852479.db2.gz ARLGTWPFBOJPCP-BHYGNILZSA-N 2 1 360.458 0.226 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000584089435 491858280 /nfs/dbraw/zinc/85/82/80/491858280.db2.gz ANWZEKSNTAJLBL-INIZCTEOSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000584147157 491859545 /nfs/dbraw/zinc/85/95/45/491859545.db2.gz PCPWIXOQTOFGRL-JXFKEZNVSA-N 2 1 371.485 0.721 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584172050 491859999 /nfs/dbraw/zinc/85/99/99/491859999.db2.gz VDCLNOGYNTYKJR-UHFFFAOYSA-N 2 1 374.551 0.334 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594988080 491875590 /nfs/dbraw/zinc/87/55/90/491875590.db2.gz CGLYRPCBHZHFQE-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594988080 491875592 /nfs/dbraw/zinc/87/55/92/491875592.db2.gz CGLYRPCBHZHFQE-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594988080 491875595 /nfs/dbraw/zinc/87/55/95/491875595.db2.gz CGLYRPCBHZHFQE-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000612487558 491925179 /nfs/dbraw/zinc/92/51/79/491925179.db2.gz YEMFZCFYGXTGCQ-OAHLLOKOSA-N 2 1 356.536 0.388 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541327 491930987 /nfs/dbraw/zinc/93/09/87/491930987.db2.gz DCXAVURQNPWJPK-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541327 491930991 /nfs/dbraw/zinc/93/09/91/491930991.db2.gz DCXAVURQNPWJPK-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000612541327 491930994 /nfs/dbraw/zinc/93/09/94/491930994.db2.gz DCXAVURQNPWJPK-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000612541327 491930997 /nfs/dbraw/zinc/93/09/97/491930997.db2.gz DCXAVURQNPWJPK-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546003 491931277 /nfs/dbraw/zinc/93/12/77/491931277.db2.gz OFHGNGSZQMRSIP-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546984 491932111 /nfs/dbraw/zinc/93/21/11/491932111.db2.gz XRYQXGZMUWOICU-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546984 491932113 /nfs/dbraw/zinc/93/21/13/491932113.db2.gz XRYQXGZMUWOICU-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546984 491932116 /nfs/dbraw/zinc/93/21/16/491932116.db2.gz XRYQXGZMUWOICU-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546985 491932477 /nfs/dbraw/zinc/93/24/77/491932477.db2.gz XRYQXGZMUWOICU-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546985 491932478 /nfs/dbraw/zinc/93/24/78/491932478.db2.gz XRYQXGZMUWOICU-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546985 491932479 /nfs/dbraw/zinc/93/24/79/491932479.db2.gz XRYQXGZMUWOICU-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000612594473 491936869 /nfs/dbraw/zinc/93/68/69/491936869.db2.gz NBBNUWVDOBKJGG-IAGOWNOFSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000612594473 491936870 /nfs/dbraw/zinc/93/68/70/491936870.db2.gz NBBNUWVDOBKJGG-IAGOWNOFSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758149 491949143 /nfs/dbraw/zinc/94/91/43/491949143.db2.gz FDNKFWXGDFRJBL-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758149 491949145 /nfs/dbraw/zinc/94/91/45/491949145.db2.gz FDNKFWXGDFRJBL-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758149 491949148 /nfs/dbraw/zinc/94/91/48/491949148.db2.gz FDNKFWXGDFRJBL-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758149 491949150 /nfs/dbraw/zinc/94/91/50/491949150.db2.gz FDNKFWXGDFRJBL-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@]1(NC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000612878747 491956445 /nfs/dbraw/zinc/95/64/45/491956445.db2.gz MNVJQSVKHYWGPA-FXAWDEMLSA-N 2 1 373.501 0.935 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612963371 491959676 /nfs/dbraw/zinc/95/96/76/491959676.db2.gz MXGKMPOQXZCOTC-MRXNPFEDSA-N 2 1 365.522 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612963371 491959678 /nfs/dbraw/zinc/95/96/78/491959678.db2.gz MXGKMPOQXZCOTC-MRXNPFEDSA-N 2 1 365.522 0.714 20 0 FCADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896741 491960068 /nfs/dbraw/zinc/96/00/68/491960068.db2.gz WYCIKPJPXWRKRS-FZKCQIBNSA-N 2 1 353.463 0.369 20 0 FCADMP CNC(=O)NC(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906074 491961280 /nfs/dbraw/zinc/96/12/80/491961280.db2.gz WEDCCNGCJZSDOA-UHFFFAOYSA-N 2 1 362.478 0.902 20 0 FCADMP C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602194407 491966614 /nfs/dbraw/zinc/96/66/14/491966614.db2.gz KNNNQDWLMZZUFH-HOCLYGCPSA-N 2 1 350.507 0.966 20 0 FCADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000596655871 491994090 /nfs/dbraw/zinc/99/40/90/491994090.db2.gz YXUJNRBQRLCYNB-LLVKDONJSA-N 2 1 373.413 0.934 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967150 492007418 /nfs/dbraw/zinc/00/74/18/492007418.db2.gz SOHBIMPCQQNSLQ-BZUAXINKSA-N 2 1 354.495 0.996 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000597460185 492039821 /nfs/dbraw/zinc/03/98/21/492039821.db2.gz ISFXAQHDLMFPEC-KRWDZBQOSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653345 492066768 /nfs/dbraw/zinc/06/67/68/492066768.db2.gz QIKQOWMZSJPQMM-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604653345 492066771 /nfs/dbraw/zinc/06/67/71/492066771.db2.gz QIKQOWMZSJPQMM-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604653345 492066772 /nfs/dbraw/zinc/06/67/72/492066772.db2.gz QIKQOWMZSJPQMM-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP COC(=O)c1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n2c1CCCC2 ZINC000598629710 492110201 /nfs/dbraw/zinc/11/02/01/492110201.db2.gz CUNBMBAYBPTHNE-UHFFFAOYSA-N 2 1 362.474 0.865 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000606436737 492122363 /nfs/dbraw/zinc/12/23/63/492122363.db2.gz HWBMLDJMKHUCSU-ZWKOTPCHSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000606436737 492122364 /nfs/dbraw/zinc/12/23/64/492122364.db2.gz HWBMLDJMKHUCSU-ZWKOTPCHSA-N 2 1 352.523 0.726 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4nn(C)c(=O)cc4C3)C2)CC1 ZINC000608685872 492186380 /nfs/dbraw/zinc/18/63/80/492186380.db2.gz GWZBQHZRBJFIRT-OAHLLOKOSA-N 2 1 374.489 0.017 20 0 FCADMP C[C@@H](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000617753036 492189305 /nfs/dbraw/zinc/18/93/05/492189305.db2.gz ZOQLZIQOARGDMA-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659864 492233248 /nfs/dbraw/zinc/23/32/48/492233248.db2.gz GKOJIZLMEJYRQF-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659865 492233351 /nfs/dbraw/zinc/23/33/51/492233351.db2.gz GKOJIZLMEJYRQF-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000610250145 492239429 /nfs/dbraw/zinc/23/94/29/492239429.db2.gz BKFYHWFHIMRKPQ-UAFMIMERSA-N 2 1 368.566 0.557 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](O)CC(=O)OC)CC2)CC1 ZINC000600454428 492271077 /nfs/dbraw/zinc/27/10/77/492271077.db2.gz HQJGADNYRRLZCM-INIZCTEOSA-N 2 1 355.479 0.223 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225227 492282072 /nfs/dbraw/zinc/28/20/72/492282072.db2.gz SCVPHLNPFTYLEW-MOPGFXCFSA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225227 492282073 /nfs/dbraw/zinc/28/20/73/492282073.db2.gz SCVPHLNPFTYLEW-MOPGFXCFSA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000627427499 492291594 /nfs/dbraw/zinc/29/15/94/492291594.db2.gz GYMXOLUDGAEUQZ-DOTOQJQBSA-N 2 1 350.507 0.966 20 0 FCADMP COCCN1C[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1=O ZINC000620243759 492300368 /nfs/dbraw/zinc/30/03/68/492300368.db2.gz DQRFZRFIDDCOKA-CQSZACIVSA-N 2 1 361.446 0.267 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000627456192 492303035 /nfs/dbraw/zinc/30/30/35/492303035.db2.gz CSJJRLYFAKQCSG-FGTMMUONSA-N 2 1 358.486 0.628 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000627456192 492303038 /nfs/dbraw/zinc/30/30/38/492303038.db2.gz CSJJRLYFAKQCSG-FGTMMUONSA-N 2 1 358.486 0.628 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000620325326 492303810 /nfs/dbraw/zinc/30/38/10/492303810.db2.gz NFFUBRDCFFQXJR-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000654450172 492304993 /nfs/dbraw/zinc/30/49/93/492304993.db2.gz DCRJCZKXNPRSLO-IKGGRYGDSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654450172 492304995 /nfs/dbraw/zinc/30/49/95/492304995.db2.gz DCRJCZKXNPRSLO-IKGGRYGDSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000654450172 492304997 /nfs/dbraw/zinc/30/49/97/492304997.db2.gz DCRJCZKXNPRSLO-IKGGRYGDSA-N 2 1 365.522 0.890 20 0 FCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000641806443 492306953 /nfs/dbraw/zinc/30/69/53/492306953.db2.gz PNLFGRCYZQBWIA-IRXDYDNUSA-N 2 1 374.485 0.491 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000627468887 492307905 /nfs/dbraw/zinc/30/79/05/492307905.db2.gz GJNLZIKXDGWTCI-KRWDZBQOSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470114 492309204 /nfs/dbraw/zinc/30/92/04/492309204.db2.gz LQOJNESYPIYSMA-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825417 492311012 /nfs/dbraw/zinc/31/10/12/492311012.db2.gz USPGEZNNSPNETE-JYJNAYRXSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825417 492311014 /nfs/dbraw/zinc/31/10/14/492311014.db2.gz USPGEZNNSPNETE-JYJNAYRXSA-N 2 1 366.506 0.284 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568104 492315831 /nfs/dbraw/zinc/31/58/31/492315831.db2.gz GVWGZMUMKXCVCM-QGZVFWFLSA-N 2 1 368.522 0.234 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1CC[NH+](C)C1 ZINC000647568104 492315833 /nfs/dbraw/zinc/31/58/33/492315833.db2.gz GVWGZMUMKXCVCM-QGZVFWFLSA-N 2 1 368.522 0.234 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1CC[NH+](C)C1 ZINC000647568104 492315837 /nfs/dbraw/zinc/31/58/37/492315837.db2.gz GVWGZMUMKXCVCM-QGZVFWFLSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627480390 492316858 /nfs/dbraw/zinc/31/68/58/492316858.db2.gz OQYLNCWUJRLRDG-FUHWJXTLSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627502573 492326102 /nfs/dbraw/zinc/32/61/02/492326102.db2.gz BVWOFGSWFVUXIB-UIBIWLFHSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627502573 492326105 /nfs/dbraw/zinc/32/61/05/492326105.db2.gz BVWOFGSWFVUXIB-UIBIWLFHSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596994 492332105 /nfs/dbraw/zinc/33/21/05/492332105.db2.gz CINCZCYTBVBALW-CIRFHOKZSA-N 2 1 358.486 0.819 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[NH2+]1 ZINC000642083262 492332270 /nfs/dbraw/zinc/33/22/70/492332270.db2.gz PBTBYAFRSNVIBI-CVEARBPZSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253661 492345103 /nfs/dbraw/zinc/34/51/03/492345103.db2.gz DXZMBLZSBTUDSJ-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706205 492347496 /nfs/dbraw/zinc/34/74/96/492347496.db2.gz FNWURBSDWJWGSP-OTWHNJEPSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706205 492347501 /nfs/dbraw/zinc/34/75/01/492347501.db2.gz FNWURBSDWJWGSP-OTWHNJEPSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706205 492347508 /nfs/dbraw/zinc/34/75/08/492347508.db2.gz FNWURBSDWJWGSP-OTWHNJEPSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647706205 492347511 /nfs/dbraw/zinc/34/75/11/492347511.db2.gz FNWURBSDWJWGSP-OTWHNJEPSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647706205 492347515 /nfs/dbraw/zinc/34/75/15/492347515.db2.gz FNWURBSDWJWGSP-OTWHNJEPSA-N 2 1 359.470 0.555 20 0 FCADMP [NH3+]C1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000647727227 492351274 /nfs/dbraw/zinc/35/12/74/492351274.db2.gz UEIYULRIGOHVMV-GPANFISMSA-N 2 1 352.479 0.086 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000642351463 492354001 /nfs/dbraw/zinc/35/40/01/492354001.db2.gz ZRYOINSORCGVON-INIZCTEOSA-N 2 1 374.489 0.437 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437828 492357955 /nfs/dbraw/zinc/35/79/55/492357955.db2.gz CHZONMKWGHDVQK-SMDDNHRTSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437828 492357960 /nfs/dbraw/zinc/35/79/60/492357960.db2.gz CHZONMKWGHDVQK-SMDDNHRTSA-N 2 1 372.391 0.859 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000642522222 492361628 /nfs/dbraw/zinc/36/16/28/492361628.db2.gz UGIBCBXDCXPYCA-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP OCCOC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634721158 492364161 /nfs/dbraw/zinc/36/41/61/492364161.db2.gz UOBQYKQCMQZOBC-LJQANCHMSA-N 2 1 364.486 0.771 20 0 FCADMP OCCOC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634721158 492364163 /nfs/dbraw/zinc/36/41/63/492364163.db2.gz UOBQYKQCMQZOBC-LJQANCHMSA-N 2 1 364.486 0.771 20 0 FCADMP C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H]1C[NH3+] ZINC000647820916 492365058 /nfs/dbraw/zinc/36/50/58/492365058.db2.gz MCJHXMROEMZCQF-ZACQAIPSSA-N 2 1 366.506 0.286 20 0 FCADMP COc1cccc(CN(C)C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1OC ZINC000647835478 492368764 /nfs/dbraw/zinc/36/87/64/492368764.db2.gz ZXKMIJPPAFWAIJ-UHFFFAOYSA-N 2 1 364.490 0.499 20 0 FCADMP COc1cccc(CN(C)C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1OC ZINC000647835478 492368769 /nfs/dbraw/zinc/36/87/69/492368769.db2.gz ZXKMIJPPAFWAIJ-UHFFFAOYSA-N 2 1 364.490 0.499 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642680341 492372283 /nfs/dbraw/zinc/37/22/83/492372283.db2.gz ZECHYOSGVAICCN-GUDVDZBRSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693378 492373937 /nfs/dbraw/zinc/37/39/37/492373937.db2.gz VVLJUWRHGVXVGB-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000642693378 492373940 /nfs/dbraw/zinc/37/39/40/492373940.db2.gz VVLJUWRHGVXVGB-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699641 492375389 /nfs/dbraw/zinc/37/53/89/492375389.db2.gz DMQXSWORQAGIPB-QAPCUYQASA-N 2 1 358.486 0.881 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642723183 492380173 /nfs/dbraw/zinc/38/01/73/492380173.db2.gz VOWDANWUDVRXBD-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642723183 492380177 /nfs/dbraw/zinc/38/01/77/492380177.db2.gz VOWDANWUDVRXBD-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccsc1 ZINC000642731651 492381542 /nfs/dbraw/zinc/38/15/42/492381542.db2.gz AERRKYYVFZNRSW-AEGPPILISA-N 2 1 350.488 0.677 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642733005 492383217 /nfs/dbraw/zinc/38/32/17/492383217.db2.gz PRIPEYGEECMIGF-GOSISDBHSA-N 2 1 358.486 0.809 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744967 492385123 /nfs/dbraw/zinc/38/51/23/492385123.db2.gz UYZGPKCKXRNFCL-CGTJXYLNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744967 492385125 /nfs/dbraw/zinc/38/51/25/492385125.db2.gz UYZGPKCKXRNFCL-CGTJXYLNSA-N 2 1 374.485 0.342 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000642778645 492389108 /nfs/dbraw/zinc/38/91/08/492389108.db2.gz BLSIAWVAPPEVPI-LJQANCHMSA-N 2 1 359.474 0.804 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)c(N2CCCC2)[nH+]1 ZINC000642779008 492389158 /nfs/dbraw/zinc/38/91/58/492389158.db2.gz YZZXUULSVPDAFP-UHFFFAOYSA-N 2 1 359.474 0.865 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000647967709 492389482 /nfs/dbraw/zinc/38/94/82/492389482.db2.gz XACDSZGUJKXGTB-CEXWTWQISA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000647967709 492389486 /nfs/dbraw/zinc/38/94/86/492389486.db2.gz XACDSZGUJKXGTB-CEXWTWQISA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000647967709 492389489 /nfs/dbraw/zinc/38/94/89/492389489.db2.gz XACDSZGUJKXGTB-CEXWTWQISA-N 2 1 358.571 0.395 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000642778695 492389504 /nfs/dbraw/zinc/38/95/04/492389504.db2.gz CZMSWQAFDWBXJL-RDJZCZTQSA-N 2 1 371.485 0.817 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778962 492389612 /nfs/dbraw/zinc/38/96/12/492389612.db2.gz TZWBALMDVQUUTI-GJZGRUSLSA-N 2 1 359.474 0.802 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977762 492390297 /nfs/dbraw/zinc/39/02/97/492390297.db2.gz HFUZVWHXIJKPAV-HOTGVXAUSA-N 2 1 374.551 0.096 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976679 492390371 /nfs/dbraw/zinc/39/03/71/492390371.db2.gz RVZAHGCPERDCCS-PVAVHDDUSA-N 2 1 350.507 0.810 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cn2)CC1 ZINC000635099836 492392952 /nfs/dbraw/zinc/39/29/52/492392952.db2.gz OKYYSIVRJGXJTB-YOEHRIQHSA-N 2 1 374.489 0.641 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000642808948 492396924 /nfs/dbraw/zinc/39/69/24/492396924.db2.gz LSAQJKHXACRDEA-WBVHZDCISA-N 2 1 362.449 0.584 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642903208 492400096 /nfs/dbraw/zinc/40/00/96/492400096.db2.gz DZZQUFOEXLDRGF-YVSFHVDLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642903208 492400098 /nfs/dbraw/zinc/40/00/98/492400098.db2.gz DZZQUFOEXLDRGF-YVSFHVDLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000642908078 492401308 /nfs/dbraw/zinc/40/13/08/492401308.db2.gz LICRWOULSFIEEP-HNNXBMFYSA-N 2 1 354.454 0.947 20 0 FCADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000648130139 492404698 /nfs/dbraw/zinc/40/46/98/492404698.db2.gz KLQRWIQVVIIXME-XJKSGUPXSA-N 2 1 356.430 0.608 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000642973556 492409453 /nfs/dbraw/zinc/40/94/53/492409453.db2.gz DNJOFGKGVIVGPT-VPWXQRGCSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979904 492409470 /nfs/dbraw/zinc/40/94/70/492409470.db2.gz OOQRSAQGYPLXKR-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@H]21 ZINC000642982014 492410018 /nfs/dbraw/zinc/41/00/18/492410018.db2.gz NSHKIMVRLLLEPJ-SJLPKXTDSA-N 2 1 356.470 0.849 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621779200 492411243 /nfs/dbraw/zinc/41/12/43/492411243.db2.gz BJCRBXXBDMZEJE-WBMJQRKESA-N 2 1 352.460 0.476 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621779200 492411247 /nfs/dbraw/zinc/41/12/47/492411247.db2.gz BJCRBXXBDMZEJE-WBMJQRKESA-N 2 1 352.460 0.476 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984283 492411483 /nfs/dbraw/zinc/41/14/83/492411483.db2.gz BXICLCQMLURPPB-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000643013072 492414063 /nfs/dbraw/zinc/41/40/63/492414063.db2.gz SIXZOSJIIBRQRI-IXNMUODESA-N 2 1 374.529 0.809 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838218 492421174 /nfs/dbraw/zinc/42/11/74/492421174.db2.gz ABEXMXMCBPGSPU-FXAWDEMLSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@@H](C)O1 ZINC000621838264 492421328 /nfs/dbraw/zinc/42/13/28/492421328.db2.gz BCMQMXHMEYJHOH-BKEDOTJMSA-N 2 1 366.506 0.330 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838221 492421664 /nfs/dbraw/zinc/42/16/64/492421664.db2.gz ABEXMXMCBPGSPU-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000621837668 492421709 /nfs/dbraw/zinc/42/17/09/492421709.db2.gz NNVVIYPPYLXBLY-CLCXKQKWSA-N 2 1 360.458 0.873 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621838780 492422451 /nfs/dbraw/zinc/42/24/51/492422451.db2.gz JDJOICSSXUHRJX-ZRGWGRIASA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000621840198 492422865 /nfs/dbraw/zinc/42/28/65/492422865.db2.gz FFTLSRRYNLGBNE-FYINFDKHSA-N 2 1 370.497 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000621840198 492422866 /nfs/dbraw/zinc/42/28/66/492422866.db2.gz FFTLSRRYNLGBNE-FYINFDKHSA-N 2 1 370.497 0.889 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621843241 492423693 /nfs/dbraw/zinc/42/36/93/492423693.db2.gz BIFGTUADUIPDFU-LQWHRVPQSA-N 2 1 370.497 0.965 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843922 492424311 /nfs/dbraw/zinc/42/43/11/492424311.db2.gz NLDYFEUYNKRSQD-MDZRGWNJSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843921 492424709 /nfs/dbraw/zinc/42/47/09/492424709.db2.gz NLDYFEUYNKRSQD-JTDSTZFVSA-N 2 1 350.507 0.955 20 0 FCADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000627980580 492431503 /nfs/dbraw/zinc/43/15/03/492431503.db2.gz PFFKWENBRFEYQC-QGZVFWFLSA-N 2 1 362.474 0.650 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000643419290 492454475 /nfs/dbraw/zinc/45/44/75/492454475.db2.gz HQOBHRJDUVRURX-MRXNPFEDSA-N 2 1 359.474 0.578 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551875 492454841 /nfs/dbraw/zinc/45/48/41/492454841.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551875 492454843 /nfs/dbraw/zinc/45/48/43/492454843.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551875 492454844 /nfs/dbraw/zinc/45/48/44/492454844.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551875 492454848 /nfs/dbraw/zinc/45/48/48/492454848.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551875 492454852 /nfs/dbraw/zinc/45/48/52/492454852.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 2 1 367.538 0.301 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557279 492457617 /nfs/dbraw/zinc/45/76/17/492457617.db2.gz WATKJMWJWUXDKA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655557279 492457621 /nfs/dbraw/zinc/45/76/21/492457621.db2.gz WATKJMWJWUXDKA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655557279 492457623 /nfs/dbraw/zinc/45/76/23/492457623.db2.gz WATKJMWJWUXDKA-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)CC[NH+]1C ZINC000648896553 492471441 /nfs/dbraw/zinc/47/14/41/492471441.db2.gz JGNIWIMUUCFTHU-KLHDSHLOSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)CC[NH+]1C ZINC000648896553 492471447 /nfs/dbraw/zinc/47/14/47/492471447.db2.gz JGNIWIMUUCFTHU-KLHDSHLOSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)CC[NH+]1C ZINC000648896553 492471450 /nfs/dbraw/zinc/47/14/50/492471450.db2.gz JGNIWIMUUCFTHU-KLHDSHLOSA-N 2 1 350.507 0.822 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)C1 ZINC000635570926 492475022 /nfs/dbraw/zinc/47/50/22/492475022.db2.gz PBCNPQDUOMMGAN-QGZVFWFLSA-N 2 1 352.523 0.583 20 0 FCADMP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000655671234 492475806 /nfs/dbraw/zinc/47/58/06/492475806.db2.gz IYLNCMPOBUYBGD-CVEARBPZSA-N 2 1 354.495 0.507 20 0 FCADMP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000655671234 492475808 /nfs/dbraw/zinc/47/58/08/492475808.db2.gz IYLNCMPOBUYBGD-CVEARBPZSA-N 2 1 354.495 0.507 20 0 FCADMP NS(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655686452 492476711 /nfs/dbraw/zinc/47/67/11/492476711.db2.gz HPORCCRFMVMFSV-INIZCTEOSA-N 2 1 353.488 0.719 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000643484575 492477919 /nfs/dbraw/zinc/47/79/19/492477919.db2.gz BYLAJBRGLNMCGG-KRWDZBQOSA-N 2 1 358.486 0.850 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643483678 492478013 /nfs/dbraw/zinc/47/80/13/492478013.db2.gz BHWPOCVDIVWOHU-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484267 492478169 /nfs/dbraw/zinc/47/81/69/492478169.db2.gz MIIPZNNZSWQJBQ-DLBZAZTESA-N 2 1 350.507 0.779 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000643484269 492478283 /nfs/dbraw/zinc/47/82/83/492478283.db2.gz MIIPZNNZSWQJBQ-IRXDYDNUSA-N 2 1 350.507 0.779 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643486718 492479136 /nfs/dbraw/zinc/47/91/36/492479136.db2.gz FDNMZOOEBLPIMH-WBVHZDCISA-N 2 1 368.522 0.532 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000643492337 492480795 /nfs/dbraw/zinc/48/07/95/492480795.db2.gz AHIJYNROFCODCK-CVEARBPZSA-N 2 1 357.458 0.249 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000643492448 492481080 /nfs/dbraw/zinc/48/10/80/492481080.db2.gz VTVNAINKQCVHAG-HOTGVXAUSA-N 2 1 357.458 0.249 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498004 492482996 /nfs/dbraw/zinc/48/29/96/492482996.db2.gz DOPVBBICFXPNKO-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498004 492482999 /nfs/dbraw/zinc/48/29/99/492482999.db2.gz DOPVBBICFXPNKO-TWMKSMIVSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000643503479 492483815 /nfs/dbraw/zinc/48/38/15/492483815.db2.gz DKHLBUWGRXATCV-JKSUJKDBSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531754 492491063 /nfs/dbraw/zinc/49/10/63/492491063.db2.gz GHAMHPKMZARPDJ-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643531850 492492309 /nfs/dbraw/zinc/49/23/09/492492309.db2.gz PRYRZVSUDGSPAK-NQIIRXRSSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000643531858 492492473 /nfs/dbraw/zinc/49/24/73/492492473.db2.gz QOGBIBJHEZVKRJ-JZXOWHBKSA-N 2 1 358.486 0.928 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643539523 492493608 /nfs/dbraw/zinc/49/36/08/492493608.db2.gz TVPRLSHUQRJLFE-CVEARBPZSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643545299 492496142 /nfs/dbraw/zinc/49/61/42/492496142.db2.gz XKTCRTDNKNHFSY-FJIDUMEYSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635731027 492498439 /nfs/dbraw/zinc/49/84/39/492498439.db2.gz NFIUHZIMQCPAEA-ROUUACIJSA-N 2 1 360.502 0.876 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635731027 492498441 /nfs/dbraw/zinc/49/84/41/492498441.db2.gz NFIUHZIMQCPAEA-ROUUACIJSA-N 2 1 360.502 0.876 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@@H]1Cc1ccccc1 ZINC000643590426 492501946 /nfs/dbraw/zinc/50/19/46/492501946.db2.gz ZVTNCLAAVGAGRB-RXVVDRJESA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@@H]1Cc1ccccc1 ZINC000643590426 492501948 /nfs/dbraw/zinc/50/19/48/492501948.db2.gz ZVTNCLAAVGAGRB-RXVVDRJESA-N 2 1 370.497 0.584 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000649283737 492521143 /nfs/dbraw/zinc/52/11/43/492521143.db2.gz BUDMACRXNBXDMH-MJBXVCDLSA-N 2 1 350.467 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000649283737 492521148 /nfs/dbraw/zinc/52/11/48/492521148.db2.gz BUDMACRXNBXDMH-MJBXVCDLSA-N 2 1 350.467 0.430 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649304176 492527701 /nfs/dbraw/zinc/52/77/01/492527701.db2.gz LMIFAVZUCHNESJ-QGZVFWFLSA-N 2 1 370.457 0.940 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649304175 492527934 /nfs/dbraw/zinc/52/79/34/492527934.db2.gz LMIFAVZUCHNESJ-KRWDZBQOSA-N 2 1 370.457 0.940 20 0 FCADMP C[C@H](NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000649342268 492539871 /nfs/dbraw/zinc/53/98/71/492539871.db2.gz XJESVCVMPDVWPH-LSDHHAIUSA-N 2 1 362.478 0.576 20 0 FCADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000649409022 492551281 /nfs/dbraw/zinc/55/12/81/492551281.db2.gz ZBKDTBASDVWYGO-UHFFFAOYSA-N 2 1 358.490 0.732 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000649409651 492551644 /nfs/dbraw/zinc/55/16/44/492551644.db2.gz JMOZHMDLLHHVRH-UHFFFAOYSA-N 2 1 370.501 0.385 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000649409651 492551647 /nfs/dbraw/zinc/55/16/47/492551647.db2.gz JMOZHMDLLHHVRH-UHFFFAOYSA-N 2 1 370.501 0.385 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CCN2CC[NH2+]CC2)CC1 ZINC000649409645 492551721 /nfs/dbraw/zinc/55/17/21/492551721.db2.gz INHGEQPADWACEW-UHFFFAOYSA-N 2 1 373.545 0.476 20 0 FCADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000649416574 492553303 /nfs/dbraw/zinc/55/33/03/492553303.db2.gz FBTAGUXJYJRFKT-JKSUJKDBSA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000649416574 492553309 /nfs/dbraw/zinc/55/33/09/492553309.db2.gz FBTAGUXJYJRFKT-JKSUJKDBSA-N 2 1 367.538 0.105 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000636282401 492575705 /nfs/dbraw/zinc/57/57/05/492575705.db2.gz KUDKEAOTRIZODK-RZFLPCETSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000636282401 492575707 /nfs/dbraw/zinc/57/57/07/492575707.db2.gz KUDKEAOTRIZODK-RZFLPCETSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000636282401 492575708 /nfs/dbraw/zinc/57/57/08/492575708.db2.gz KUDKEAOTRIZODK-RZFLPCETSA-N 2 1 351.491 0.950 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000656311814 492586002 /nfs/dbraw/zinc/58/60/02/492586002.db2.gz PHJIQXMXQMFSEZ-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000629323810 492608538 /nfs/dbraw/zinc/60/85/38/492608538.db2.gz JZRMVSSUNMOVGW-XWTMOSNGSA-N 2 1 352.523 0.723 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000629323810 492608542 /nfs/dbraw/zinc/60/85/42/492608542.db2.gz JZRMVSSUNMOVGW-XWTMOSNGSA-N 2 1 352.523 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656355407 492610485 /nfs/dbraw/zinc/61/04/85/492610485.db2.gz KSSCCSLICIZEHL-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656355407 492610488 /nfs/dbraw/zinc/61/04/88/492610488.db2.gz KSSCCSLICIZEHL-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656355407 492610491 /nfs/dbraw/zinc/61/04/91/492610491.db2.gz KSSCCSLICIZEHL-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656357787 492612409 /nfs/dbraw/zinc/61/24/09/492612409.db2.gz HEPXOBAUTCEEMQ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656357787 492612412 /nfs/dbraw/zinc/61/24/12/492612412.db2.gz HEPXOBAUTCEEMQ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000623999760 492612941 /nfs/dbraw/zinc/61/29/41/492612941.db2.gz AYVYRKUABQBMOE-ZWKOTPCHSA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000623999760 492612944 /nfs/dbraw/zinc/61/29/44/492612944.db2.gz AYVYRKUABQBMOE-ZWKOTPCHSA-N 2 1 358.486 0.658 20 0 FCADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000636556100 492620914 /nfs/dbraw/zinc/62/09/14/492620914.db2.gz MYGMTYPCAWWQPP-ULQDDVLXSA-N 2 1 367.538 0.993 20 0 FCADMP C[N@@H+]1CCCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000624189877 492626238 /nfs/dbraw/zinc/62/62/38/492626238.db2.gz BUBPXVAPAQJEEN-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000624189877 492626241 /nfs/dbraw/zinc/62/62/41/492626241.db2.gz BUBPXVAPAQJEEN-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588761 492631404 /nfs/dbraw/zinc/63/14/04/492631404.db2.gz NERXPBBQPWJOIE-UKRRQHHQSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588761 492631407 /nfs/dbraw/zinc/63/14/07/492631407.db2.gz NERXPBBQPWJOIE-UKRRQHHQSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@@H+]1CCc2sccc2C1 ZINC000636588761 492631411 /nfs/dbraw/zinc/63/14/11/492631411.db2.gz NERXPBBQPWJOIE-UKRRQHHQSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@H+]1CCc2sccc2C1 ZINC000636588761 492631415 /nfs/dbraw/zinc/63/14/15/492631415.db2.gz NERXPBBQPWJOIE-UKRRQHHQSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588762 492631795 /nfs/dbraw/zinc/63/17/95/492631795.db2.gz NERXPBBQPWJOIE-ZFWWWQNUSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCc2sccc2C1 ZINC000636588762 492631798 /nfs/dbraw/zinc/63/17/98/492631798.db2.gz NERXPBBQPWJOIE-ZFWWWQNUSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@@H+]1CCc2sccc2C1 ZINC000636588762 492631802 /nfs/dbraw/zinc/63/18/02/492631802.db2.gz NERXPBBQPWJOIE-ZFWWWQNUSA-N 2 1 352.504 0.861 20 0 FCADMP C[C@@H](CNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@H+]1CCc2sccc2C1 ZINC000636588762 492631806 /nfs/dbraw/zinc/63/18/06/492631806.db2.gz NERXPBBQPWJOIE-ZFWWWQNUSA-N 2 1 352.504 0.861 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699407 492643698 /nfs/dbraw/zinc/64/36/98/492643698.db2.gz LIYVWRUKVDUTII-XLIONFOSSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000656699407 492643700 /nfs/dbraw/zinc/64/37/00/492643700.db2.gz LIYVWRUKVDUTII-XLIONFOSSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000656699407 492643703 /nfs/dbraw/zinc/64/37/03/492643703.db2.gz LIYVWRUKVDUTII-XLIONFOSSA-N 2 1 374.485 0.884 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071125 492643886 /nfs/dbraw/zinc/64/38/86/492643886.db2.gz WUDSOVOVJFJFDK-YSTOQKLRSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071125 492643887 /nfs/dbraw/zinc/64/38/87/492643887.db2.gz WUDSOVOVJFJFDK-YSTOQKLRSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000644071125 492643890 /nfs/dbraw/zinc/64/38/90/492643890.db2.gz WUDSOVOVJFJFDK-YSTOQKLRSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000644071125 492643892 /nfs/dbraw/zinc/64/38/92/492643892.db2.gz WUDSOVOVJFJFDK-YSTOQKLRSA-N 2 1 373.497 0.991 20 0 FCADMP CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000656788012 492649063 /nfs/dbraw/zinc/64/90/63/492649063.db2.gz ILVHTTKSMWBMFD-INIZCTEOSA-N 2 1 366.487 0.750 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)CCOCC[NH3+] ZINC000629574448 492651916 /nfs/dbraw/zinc/65/19/16/492651916.db2.gz HPBLGDXRDZLBKY-CYBMUJFWSA-N 2 1 372.491 0.171 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629574448 492651918 /nfs/dbraw/zinc/65/19/18/492651918.db2.gz HPBLGDXRDZLBKY-CYBMUJFWSA-N 2 1 372.491 0.171 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000650629859 492656652 /nfs/dbraw/zinc/65/66/52/492656652.db2.gz YHTIKQVJWCUESA-QGZVFWFLSA-N 2 1 362.474 0.587 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000650629859 492656654 /nfs/dbraw/zinc/65/66/54/492656654.db2.gz YHTIKQVJWCUESA-QGZVFWFLSA-N 2 1 362.474 0.587 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000644194634 492665496 /nfs/dbraw/zinc/66/54/96/492665496.db2.gz UGFSKRMKFOJVAM-GOSISDBHSA-N 2 1 373.501 0.631 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000636743452 492679124 /nfs/dbraw/zinc/67/91/24/492679124.db2.gz FFMQWRMBBBDLHP-QGZVFWFLSA-N 2 1 364.490 0.883 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878392 492679830 /nfs/dbraw/zinc/67/98/30/492679830.db2.gz RYOSAKQVGLSBTK-CGTJXYLNSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878392 492679832 /nfs/dbraw/zinc/67/98/32/492679832.db2.gz RYOSAKQVGLSBTK-CGTJXYLNSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878392 492679835 /nfs/dbraw/zinc/67/98/35/492679835.db2.gz RYOSAKQVGLSBTK-CGTJXYLNSA-N 2 1 368.522 0.584 20 0 FCADMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@@H](C)C1 ZINC000650878392 492679838 /nfs/dbraw/zinc/67/98/38/492679838.db2.gz RYOSAKQVGLSBTK-CGTJXYLNSA-N 2 1 368.522 0.584 20 0 FCADMP Cc1nc(NCC[NH+]2CC[C@H](O)C2)c(NCC[N@H+]2CC[C@H](O)C2)nc1C ZINC000624772673 492681769 /nfs/dbraw/zinc/68/17/69/492681769.db2.gz BWDGNTZREWLXMF-HOTGVXAUSA-N 2 1 364.494 0.050 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC[N@H+]1C ZINC000636843863 492707967 /nfs/dbraw/zinc/70/79/67/492707967.db2.gz MIWGLSZTCRFHEX-VKJFTORMSA-N 2 1 354.495 0.384 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[C@@H]1C(=O)NCCn1cc[nH+]c1C ZINC000630864214 492779966 /nfs/dbraw/zinc/77/99/66/492779966.db2.gz HFCYXSRWEVYWSI-HOTGVXAUSA-N 2 1 358.446 0.655 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644607613 492790732 /nfs/dbraw/zinc/79/07/32/492790732.db2.gz UEPJVSFAQUQQBD-DLBZAZTESA-N 2 1 355.504 0.350 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644607613 492790728 /nfs/dbraw/zinc/79/07/28/492790728.db2.gz UEPJVSFAQUQQBD-DLBZAZTESA-N 2 1 355.504 0.350 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873519 492807280 /nfs/dbraw/zinc/80/72/80/492807280.db2.gz IPNWQJLPMXTHCU-HXUWFJFHSA-N 2 1 371.485 0.675 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000625548042 492817475 /nfs/dbraw/zinc/81/74/75/492817475.db2.gz ZPYYPVACPYSMJO-MSOLQXFVSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000625548042 492817478 /nfs/dbraw/zinc/81/74/78/492817478.db2.gz ZPYYPVACPYSMJO-MSOLQXFVSA-N 2 1 358.486 0.612 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)nn1 ZINC000631847316 492862609 /nfs/dbraw/zinc/86/26/09/492862609.db2.gz RPNWRBPDEZWUTM-AWEZNQCLSA-N 2 1 359.821 0.845 20 0 FCADMP COc1cccc([C@@H](CNS(=O)(=O)N(C)C2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000631910304 492876658 /nfs/dbraw/zinc/87/66/58/492876658.db2.gz ZQLAWOLDTNZPCP-QGZVFWFLSA-N 2 1 370.519 0.816 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000652153582 492887867 /nfs/dbraw/zinc/88/78/67/492887867.db2.gz MUCKEEDZXPWXCX-LNLFQRSKSA-N 2 1 365.522 0.163 20 0 FCADMP CN(CCOCC[NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000625852356 492894864 /nfs/dbraw/zinc/89/48/64/492894864.db2.gz CBSSTGDKSKSBGM-INIZCTEOSA-N 2 1 363.462 0.575 20 0 FCADMP CN(CCOCC[NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000625852356 492894869 /nfs/dbraw/zinc/89/48/69/492894869.db2.gz CBSSTGDKSKSBGM-INIZCTEOSA-N 2 1 363.462 0.575 20 0 FCADMP CCN(CC[NH3+])C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000625854086 492894893 /nfs/dbraw/zinc/89/48/93/492894893.db2.gz VMZWWBFMCLVGFD-UHFFFAOYSA-N 2 1 363.462 0.895 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638094583 492904578 /nfs/dbraw/zinc/90/45/78/492904578.db2.gz KAODVUAYSDPTAO-XLIONFOSSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638101281 492905582 /nfs/dbraw/zinc/90/55/82/492905582.db2.gz PEPVLFXQLCSKFB-NWDGAFQWSA-N 2 1 354.405 0.964 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652347973 492913131 /nfs/dbraw/zinc/91/31/31/492913131.db2.gz QLNFPZIYAPBVBG-MLHJIOFPSA-N 2 1 366.506 0.332 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346791 492913533 /nfs/dbraw/zinc/91/35/33/492913533.db2.gz IKRDLFRARFKOBB-ARFHVFGLSA-N 2 1 354.495 0.189 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000652390435 492922143 /nfs/dbraw/zinc/92/21/43/492922143.db2.gz PKIKXKUOKSAVCN-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000632118457 492933311 /nfs/dbraw/zinc/93/33/11/492933311.db2.gz QXFAZBICVQPKJM-HZPDHXFCSA-N 2 1 359.536 0.768 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000632118456 492933617 /nfs/dbraw/zinc/93/36/17/492933617.db2.gz QXFAZBICVQPKJM-HOTGVXAUSA-N 2 1 359.536 0.768 20 0 FCADMP CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000645640049 492952287 /nfs/dbraw/zinc/95/22/87/492952287.db2.gz RDKXOHZFJXMUOC-SFHVURJKSA-N 2 1 374.485 0.962 20 0 FCADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638564230 492961367 /nfs/dbraw/zinc/96/13/67/492961367.db2.gz HTZSSGRCFVDKEZ-UHFFFAOYSA-N 2 1 354.520 0.697 20 0 FCADMP Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)n(C2CC[NH+](C)CC2)n1 ZINC000626426860 492975990 /nfs/dbraw/zinc/97/59/90/492975990.db2.gz OMYHPGCNNQGZPZ-OAHLLOKOSA-N 2 1 350.467 0.646 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000645925678 492988561 /nfs/dbraw/zinc/98/85/61/492988561.db2.gz JYEZJUVATXQPIY-GOSISDBHSA-N 2 1 373.501 0.833 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)c1ccsc1 ZINC000652682540 492988883 /nfs/dbraw/zinc/98/88/83/492988883.db2.gz MTDZWGKYSIUKFR-OAHLLOKOSA-N 2 1 352.504 0.973 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978117 492995240 /nfs/dbraw/zinc/99/52/40/492995240.db2.gz SHHCDTZFGDAXDJ-SJLPKXTDSA-N 2 1 360.506 0.706 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978117 492995242 /nfs/dbraw/zinc/99/52/42/492995242.db2.gz SHHCDTZFGDAXDJ-SJLPKXTDSA-N 2 1 360.506 0.706 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C1CCCCC1 ZINC000652708050 492996681 /nfs/dbraw/zinc/99/66/81/492996681.db2.gz LMPLWPIIMCOHMW-QGZVFWFLSA-N 2 1 367.538 0.249 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646009424 493000689 /nfs/dbraw/zinc/00/06/89/493000689.db2.gz JCBUXMYUJHSKOM-FGTMMUONSA-N 2 1 350.507 0.145 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646009639 493001508 /nfs/dbraw/zinc/00/15/08/493001508.db2.gz YXZYSDHFSVKTOT-FQEVSTJZSA-N 2 1 372.513 0.511 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000632539131 493024551 /nfs/dbraw/zinc/02/45/51/493024551.db2.gz AXMVBPSUUQCBJB-KRWDZBQOSA-N 2 1 359.536 0.989 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115085 493072778 /nfs/dbraw/zinc/07/27/78/493072778.db2.gz CBHFQZBVPFIANI-NVXWUHKLSA-N 2 1 361.490 0.601 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115676 493072871 /nfs/dbraw/zinc/07/28/71/493072871.db2.gz WWKNBJQEFICNPJ-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115677 493072895 /nfs/dbraw/zinc/07/28/95/493072895.db2.gz WWKNBJQEFICNPJ-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653114628 493073168 /nfs/dbraw/zinc/07/31/68/493073168.db2.gz POKSWLXWKNBKMV-ZMMAXQRCSA-N 2 1 350.507 0.239 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124640 493074543 /nfs/dbraw/zinc/07/45/43/493074543.db2.gz CMRDKKMFDVWETI-QRVBRYPASA-N 2 1 364.534 0.770 20 0 FCADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985338 493075004 /nfs/dbraw/zinc/07/50/04/493075004.db2.gz DDSNHSKFENHJRV-WMZOPIPTSA-N 2 1 364.490 0.893 20 0 FCADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985338 493075009 /nfs/dbraw/zinc/07/50/09/493075009.db2.gz DDSNHSKFENHJRV-WMZOPIPTSA-N 2 1 364.490 0.893 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653124877 493076139 /nfs/dbraw/zinc/07/61/39/493076139.db2.gz KARVMINUJISNOV-IBGZPJMESA-N 2 1 361.534 0.719 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@H](N)CC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000653124860 493076330 /nfs/dbraw/zinc/07/63/30/493076330.db2.gz JHFZNYTYBRUBPD-RTBURBONSA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000653124860 493076335 /nfs/dbraw/zinc/07/63/35/493076335.db2.gz JHFZNYTYBRUBPD-RTBURBONSA-N 2 1 361.534 0.760 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000653124860 493076337 /nfs/dbraw/zinc/07/63/37/493076337.db2.gz JHFZNYTYBRUBPD-RTBURBONSA-N 2 1 361.534 0.760 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000627003168 493078501 /nfs/dbraw/zinc/07/85/01/493078501.db2.gz IGRXVFHIVZOJFY-USXIJHARSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003168 493078507 /nfs/dbraw/zinc/07/85/07/493078507.db2.gz IGRXVFHIVZOJFY-USXIJHARSA-N 2 1 354.495 0.506 20 0 FCADMP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN(Cc2ccccc2)CC1 ZINC000653164607 493081397 /nfs/dbraw/zinc/08/13/97/493081397.db2.gz ZQDJGMVBGAFXQZ-PXNSSMCTSA-N 2 1 358.486 0.332 20 0 FCADMP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653164994 493081407 /nfs/dbraw/zinc/08/14/07/493081407.db2.gz BAKMQMNZYFOORX-JXFKEZNVSA-N 2 1 373.501 0.819 20 0 FCADMP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653253903 493086082 /nfs/dbraw/zinc/08/60/82/493086082.db2.gz DGFFNMIMTFOJHT-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653253903 493086085 /nfs/dbraw/zinc/08/60/85/493086085.db2.gz DGFFNMIMTFOJHT-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627115135 493089702 /nfs/dbraw/zinc/08/97/02/493089702.db2.gz RDYDECUAMUETEP-BRWVUGGUSA-N 2 1 350.438 0.637 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627115136 493089876 /nfs/dbraw/zinc/08/98/76/493089876.db2.gz RDYDECUAMUETEP-GVDBMIGSSA-N 2 1 350.438 0.637 20 0 FCADMP CCCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000646765811 493092826 /nfs/dbraw/zinc/09/28/26/493092826.db2.gz LZTQXTFTQFQVIH-HNNXBMFYSA-N 2 1 356.430 1.149 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000633032380 493107059 /nfs/dbraw/zinc/10/70/59/493107059.db2.gz IBDJBHQRRRXFLX-GASCZTMLSA-N 2 1 359.430 0.088 20 0 FCADMP C[NH+](C)Cc1ccnc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000640564453 493117546 /nfs/dbraw/zinc/11/75/46/493117546.db2.gz GHBNMELYSOLRSI-MRXNPFEDSA-N 2 1 374.489 0.914 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258985 493121060 /nfs/dbraw/zinc/12/10/60/493121060.db2.gz KHOVYLVIEOKUOO-NLWGTHIKSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258985 493121063 /nfs/dbraw/zinc/12/10/63/493121063.db2.gz KHOVYLVIEOKUOO-NLWGTHIKSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258985 493121064 /nfs/dbraw/zinc/12/10/64/493121064.db2.gz KHOVYLVIEOKUOO-NLWGTHIKSA-N 2 1 359.470 0.291 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095367 493122696 /nfs/dbraw/zinc/12/26/96/493122696.db2.gz SOMMMUXYOOCMNC-SZMVWBNQSA-N 2 1 356.470 0.682 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627263817 493124554 /nfs/dbraw/zinc/12/45/54/493124554.db2.gz JJMCLKKDFUKLCZ-GJZGRUSLSA-N 2 1 358.446 0.504 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627263817 493124557 /nfs/dbraw/zinc/12/45/57/493124557.db2.gz JJMCLKKDFUKLCZ-GJZGRUSLSA-N 2 1 358.446 0.504 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117706 493133078 /nfs/dbraw/zinc/13/30/78/493133078.db2.gz FPQZIBCRMSTKAF-BZZMCLGOSA-N 2 1 356.470 0.667 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000633117756 493133453 /nfs/dbraw/zinc/13/34/53/493133453.db2.gz FZMJRGKNUIBECO-NXHRZFHOSA-N 2 1 358.486 0.710 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000633143475 493135834 /nfs/dbraw/zinc/13/58/34/493135834.db2.gz LYLIZYFUTJQSKG-SJORKVTESA-N 2 1 373.501 0.215 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000646974539 493137507 /nfs/dbraw/zinc/13/75/07/493137507.db2.gz RMOSQMBHVUOKBQ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000646974539 493137509 /nfs/dbraw/zinc/13/75/09/493137509.db2.gz RMOSQMBHVUOKBQ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000646974539 493137513 /nfs/dbraw/zinc/13/75/13/493137513.db2.gz RMOSQMBHVUOKBQ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000646974537 493137917 /nfs/dbraw/zinc/13/79/17/493137917.db2.gz RMOSQMBHVUOKBQ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000646974537 493137921 /nfs/dbraw/zinc/13/79/21/493137921.db2.gz RMOSQMBHVUOKBQ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000646974537 493137926 /nfs/dbraw/zinc/13/79/26/493137926.db2.gz RMOSQMBHVUOKBQ-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000627294666 493138548 /nfs/dbraw/zinc/13/85/48/493138548.db2.gz GUEAPFASGQZKQD-UHFFFAOYSA-N 2 1 365.478 0.427 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000627320189 493150943 /nfs/dbraw/zinc/15/09/43/493150943.db2.gz UTZHJPCMYFEYCH-RHSMWYFYSA-N 2 1 360.458 0.002 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000627320189 493150947 /nfs/dbraw/zinc/15/09/47/493150947.db2.gz UTZHJPCMYFEYCH-RHSMWYFYSA-N 2 1 360.458 0.002 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]2[NH3+])cn1 ZINC000647096387 493163090 /nfs/dbraw/zinc/16/30/90/493163090.db2.gz OVDNCJRALOEKRJ-OTWHNJEPSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]2[NH3+])cn1 ZINC000647096387 493163091 /nfs/dbraw/zinc/16/30/91/493163091.db2.gz OVDNCJRALOEKRJ-OTWHNJEPSA-N 2 1 369.469 0.574 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627345995 493166288 /nfs/dbraw/zinc/16/62/88/493166288.db2.gz BHQMGUHQOHLOSQ-OLZOCXBDSA-N 2 1 366.428 0.820 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ncnn3-c3ccccc3)nn2)CC1 ZINC000641092462 493167384 /nfs/dbraw/zinc/16/73/84/493167384.db2.gz MVKFFXKQSLLFTP-UHFFFAOYSA-N 2 1 352.446 0.873 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627356346 493173080 /nfs/dbraw/zinc/17/30/80/493173080.db2.gz FDAUSJPMFZWNLA-KZNAEPCWSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627356346 493173087 /nfs/dbraw/zinc/17/30/87/493173087.db2.gz FDAUSJPMFZWNLA-KZNAEPCWSA-N 2 1 374.485 0.260 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)COc3ccc(F)cc3)nn2)CC1 ZINC000641201087 493179740 /nfs/dbraw/zinc/17/97/40/493179740.db2.gz GEQOYTQLFMVJCE-QGZVFWFLSA-N 2 1 363.437 0.823 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641215128 493182179 /nfs/dbraw/zinc/18/21/79/493182179.db2.gz NVMWTCXQKKHBMQ-IBGZPJMESA-N 2 1 358.490 0.219 20 0 FCADMP COCC[C@@H]([NH3+])Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230805 493186267 /nfs/dbraw/zinc/18/62/67/493186267.db2.gz UUAYYTMIGFGBQA-MJGOQNOKSA-N 2 1 359.474 0.821 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[C@H]1F ZINC000659481307 493192110 /nfs/dbraw/zinc/19/21/10/493192110.db2.gz XSPZZSUKWSYRBO-GVDBMIGSSA-N 2 1 350.438 0.834 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627423346 493211947 /nfs/dbraw/zinc/21/19/47/493211947.db2.gz LEEOEZHOWYNWNC-OAHLLOKOSA-N 2 1 354.495 0.252 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630334 493224411 /nfs/dbraw/zinc/22/44/11/493224411.db2.gz PLNFHPFNFHZDFO-UHFFFAOYSA-N 2 1 362.434 0.897 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H](C)C[NH2+]C)CC2)CC1 ZINC000659646952 493228675 /nfs/dbraw/zinc/22/86/75/493228675.db2.gz QXCFASUOVPYNBI-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000666924836 493238038 /nfs/dbraw/zinc/23/80/38/493238038.db2.gz MBERRTQUPJMIGP-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000666924836 493238041 /nfs/dbraw/zinc/23/80/41/493238041.db2.gz MBERRTQUPJMIGP-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000666924836 493238045 /nfs/dbraw/zinc/23/80/45/493238045.db2.gz MBERRTQUPJMIGP-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666974428 493242889 /nfs/dbraw/zinc/24/28/89/493242889.db2.gz QCAAIVPOTYGYQF-SFHVURJKSA-N 2 1 368.522 0.992 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000666977700 493244107 /nfs/dbraw/zinc/24/41/07/493244107.db2.gz HGIFAZBBRWAGBJ-DLBZAZTESA-N 2 1 354.495 0.386 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000666976182 493244714 /nfs/dbraw/zinc/24/47/14/493244714.db2.gz DBASDCOEOXZKAB-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659683336 493249776 /nfs/dbraw/zinc/24/97/76/493249776.db2.gz REKNKDZKEBVTIM-UGUYLWEFSA-N 2 1 368.522 0.576 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000659685520 493252890 /nfs/dbraw/zinc/25/28/90/493252890.db2.gz PUMJKXANQKKETB-OAHLLOKOSA-N 2 1 356.511 0.435 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659697779 493259660 /nfs/dbraw/zinc/25/96/60/493259660.db2.gz DSWWOMBNZNOIGE-KRWDZBQOSA-N 2 1 368.522 0.309 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659700052 493260167 /nfs/dbraw/zinc/26/01/67/493260167.db2.gz YXQBKZNMLDGSTG-CVEARBPZSA-N 2 1 361.490 0.037 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000667151287 493262343 /nfs/dbraw/zinc/26/23/43/493262343.db2.gz GIUOLGMGHJSPBP-OAHLLOKOSA-N 2 1 350.467 0.508 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000641668802 493275068 /nfs/dbraw/zinc/27/50/68/493275068.db2.gz DJGCNMSXSGSXDW-WMZOPIPTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000641668802 493275072 /nfs/dbraw/zinc/27/50/72/493275072.db2.gz DJGCNMSXSGSXDW-WMZOPIPTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000641668802 493275075 /nfs/dbraw/zinc/27/50/75/493275075.db2.gz DJGCNMSXSGSXDW-WMZOPIPTSA-N 2 1 350.507 0.526 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000659733240 493278196 /nfs/dbraw/zinc/27/81/96/493278196.db2.gz RJBBHVMITCTVPX-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659737957 493279684 /nfs/dbraw/zinc/27/96/84/493279684.db2.gz WRIBONMBNNXAQW-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659737958 493279893 /nfs/dbraw/zinc/27/98/93/493279893.db2.gz WRIBONMBNNXAQW-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659744620 493282780 /nfs/dbraw/zinc/28/27/80/493282780.db2.gz ZASOCUQXBIHQQE-WBTXTPOCSA-N 2 1 370.497 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659744620 493282782 /nfs/dbraw/zinc/28/27/82/493282782.db2.gz ZASOCUQXBIHQQE-WBTXTPOCSA-N 2 1 370.497 0.978 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)CC1(C)C ZINC000673057998 493285963 /nfs/dbraw/zinc/28/59/63/493285963.db2.gz LCIHXUMOCCKGNS-UHFFFAOYSA-N 2 1 355.527 0.111 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1(C)C ZINC000673057998 493285965 /nfs/dbraw/zinc/28/59/65/493285965.db2.gz LCIHXUMOCCKGNS-UHFFFAOYSA-N 2 1 355.527 0.111 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1(C)C ZINC000673057998 493285967 /nfs/dbraw/zinc/28/59/67/493285967.db2.gz LCIHXUMOCCKGNS-UHFFFAOYSA-N 2 1 355.527 0.111 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCc2n[nH]nc21 ZINC000667680774 493296119 /nfs/dbraw/zinc/29/61/19/493296119.db2.gz QVDDVKIVOFTOET-MRXNPFEDSA-N 2 1 369.473 0.948 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308364 493316205 /nfs/dbraw/zinc/31/62/05/493316205.db2.gz PUCPVLWAQHFJRL-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308364 493316207 /nfs/dbraw/zinc/31/62/07/493316207.db2.gz PUCPVLWAQHFJRL-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000673348431 493320065 /nfs/dbraw/zinc/32/00/65/493320065.db2.gz GLIFJONECJYNCJ-HNNXBMFYSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000673348431 493320069 /nfs/dbraw/zinc/32/00/69/493320069.db2.gz GLIFJONECJYNCJ-HNNXBMFYSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000673348431 493320072 /nfs/dbraw/zinc/32/00/72/493320072.db2.gz GLIFJONECJYNCJ-HNNXBMFYSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000673348432 493320289 /nfs/dbraw/zinc/32/02/89/493320289.db2.gz GLIFJONECJYNCJ-OAHLLOKOSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000673348432 493320291 /nfs/dbraw/zinc/32/02/91/493320291.db2.gz GLIFJONECJYNCJ-OAHLLOKOSA-N 2 1 364.465 0.926 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000673348432 493320297 /nfs/dbraw/zinc/32/02/97/493320297.db2.gz GLIFJONECJYNCJ-OAHLLOKOSA-N 2 1 364.465 0.926 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000660093296 493323973 /nfs/dbraw/zinc/32/39/73/493323973.db2.gz XACDSZGUJKXGTB-GUDVDZBRSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000660093296 493323977 /nfs/dbraw/zinc/32/39/77/493323977.db2.gz XACDSZGUJKXGTB-GUDVDZBRSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000660093296 493323981 /nfs/dbraw/zinc/32/39/81/493323981.db2.gz XACDSZGUJKXGTB-GUDVDZBRSA-N 2 1 358.571 0.395 20 0 FCADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000660156496 493330951 /nfs/dbraw/zinc/33/09/51/493330951.db2.gz GSAUMHQAFJXDPY-SJORKVTESA-N 2 1 362.536 0.869 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000660156496 493330952 /nfs/dbraw/zinc/33/09/52/493330952.db2.gz GSAUMHQAFJXDPY-SJORKVTESA-N 2 1 362.536 0.869 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872312 493370307 /nfs/dbraw/zinc/37/03/07/493370307.db2.gz DEUBFOUAKDKRMN-OAHLLOKOSA-N 2 1 362.478 0.214 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000660791068 493379905 /nfs/dbraw/zinc/37/99/05/493379905.db2.gz HXZVUCCEBBGQQX-JKSUJKDBSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000660791068 493379906 /nfs/dbraw/zinc/37/99/06/493379906.db2.gz HXZVUCCEBBGQQX-JKSUJKDBSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201594 493400958 /nfs/dbraw/zinc/40/09/58/493400958.db2.gz XFFKRFXJUCRFAX-QZTJIDSGSA-N 2 1 362.522 0.652 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000661085311 493408339 /nfs/dbraw/zinc/40/83/39/493408339.db2.gz ZEHVOJSBNLLCSK-UHFFFAOYSA-N 2 1 356.511 0.092 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000661085311 493408341 /nfs/dbraw/zinc/40/83/41/493408341.db2.gz ZEHVOJSBNLLCSK-UHFFFAOYSA-N 2 1 356.511 0.092 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)C1CC1 ZINC000668777677 493409228 /nfs/dbraw/zinc/40/92/28/493409228.db2.gz UMTLSRPSLHSQRQ-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)C1CC1 ZINC000668777677 493409231 /nfs/dbraw/zinc/40/92/31/493409231.db2.gz UMTLSRPSLHSQRQ-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000668777677 493409233 /nfs/dbraw/zinc/40/92/33/493409233.db2.gz UMTLSRPSLHSQRQ-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000668777677 493409235 /nfs/dbraw/zinc/40/92/35/493409235.db2.gz UMTLSRPSLHSQRQ-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000668852686 493422306 /nfs/dbraw/zinc/42/23/06/493422306.db2.gz GFZSOSQWMYJGCT-HNNXBMFYSA-N 2 1 368.522 0.593 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000661408795 493435090 /nfs/dbraw/zinc/43/50/90/493435090.db2.gz FWIDZXGNISKQJS-DOTOQJQBSA-N 2 1 357.458 0.283 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000669132015 493466419 /nfs/dbraw/zinc/46/64/19/493466419.db2.gz WPWNQVYHLCYJNQ-OAGGEKHMSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000669132015 493466423 /nfs/dbraw/zinc/46/64/23/493466423.db2.gz WPWNQVYHLCYJNQ-OAGGEKHMSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000669132015 493466425 /nfs/dbraw/zinc/46/64/25/493466425.db2.gz WPWNQVYHLCYJNQ-OAGGEKHMSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000669132015 493466428 /nfs/dbraw/zinc/46/64/28/493466428.db2.gz WPWNQVYHLCYJNQ-OAGGEKHMSA-N 2 1 362.478 0.355 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000669135286 493467313 /nfs/dbraw/zinc/46/73/13/493467313.db2.gz UPHLWCJUAIABCL-QXSJWSMHSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000669135286 493467315 /nfs/dbraw/zinc/46/73/15/493467315.db2.gz UPHLWCJUAIABCL-QXSJWSMHSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000669135286 493467319 /nfs/dbraw/zinc/46/73/19/493467319.db2.gz UPHLWCJUAIABCL-QXSJWSMHSA-N 2 1 362.478 0.089 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000685276924 493471984 /nfs/dbraw/zinc/47/19/84/493471984.db2.gz DKWGIWOYTTVJRB-CABCVRRESA-N 2 1 357.458 0.472 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675189972 493472809 /nfs/dbraw/zinc/47/28/09/493472809.db2.gz FXUKRCWFJJWTAT-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CN(C)CCO1 ZINC000685336636 493477591 /nfs/dbraw/zinc/47/75/91/493477591.db2.gz JRCOZPUFRNDLKC-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336636 493477593 /nfs/dbraw/zinc/47/75/93/493477593.db2.gz JRCOZPUFRNDLKC-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336636 493477594 /nfs/dbraw/zinc/47/75/94/493477594.db2.gz JRCOZPUFRNDLKC-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685336636 493477596 /nfs/dbraw/zinc/47/75/96/493477596.db2.gz JRCOZPUFRNDLKC-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336636 493477598 /nfs/dbraw/zinc/47/75/98/493477598.db2.gz JRCOZPUFRNDLKC-BHYGNILZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340638 493480195 /nfs/dbraw/zinc/48/01/95/493480195.db2.gz AAQXKUMWBWSKJC-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340638 493480196 /nfs/dbraw/zinc/48/01/96/493480196.db2.gz AAQXKUMWBWSKJC-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685340638 493480197 /nfs/dbraw/zinc/48/01/97/493480197.db2.gz AAQXKUMWBWSKJC-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340638 493480199 /nfs/dbraw/zinc/48/01/99/493480199.db2.gz AAQXKUMWBWSKJC-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340640 493480274 /nfs/dbraw/zinc/48/02/74/493480274.db2.gz AAQXKUMWBWSKJC-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340640 493480275 /nfs/dbraw/zinc/48/02/75/493480275.db2.gz AAQXKUMWBWSKJC-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340640 493480276 /nfs/dbraw/zinc/48/02/76/493480276.db2.gz AAQXKUMWBWSKJC-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340640 493480277 /nfs/dbraw/zinc/48/02/77/493480277.db2.gz AAQXKUMWBWSKJC-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661985759 493481175 /nfs/dbraw/zinc/48/11/75/493481175.db2.gz XLZVXRVJKGEWPQ-WBVHZDCISA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662260981 493500686 /nfs/dbraw/zinc/50/06/86/493500686.db2.gz SIIGILWELAVHID-KURKYZTESA-N 2 1 364.534 0.630 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000685520000 493501115 /nfs/dbraw/zinc/50/11/15/493501115.db2.gz BNBJIQSRSZYMHI-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685520296 493501157 /nfs/dbraw/zinc/50/11/57/493501157.db2.gz BTBFFMVCADNXAV-KRWDZBQOSA-N 2 1 373.501 0.967 20 0 FCADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000662265558 493501866 /nfs/dbraw/zinc/50/18/66/493501866.db2.gz RALRFCZDYWCBQE-LSDHHAIUSA-N 2 1 363.510 0.551 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000669396723 493502188 /nfs/dbraw/zinc/50/21/88/493502188.db2.gz CHLFSPRJGGWURK-CRAIPNDOSA-N 2 1 362.474 0.776 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296816 493504753 /nfs/dbraw/zinc/50/47/53/493504753.db2.gz NMRZZZPUTHEVDG-MSOLQXFVSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@]1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486473 493506573 /nfs/dbraw/zinc/50/65/73/493506573.db2.gz NETGBMNTFOXNJM-WMZOPIPTSA-N 2 1 353.511 0.082 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nnn1[C@H]1CC[NH2+]C1 ZINC000662351828 493509063 /nfs/dbraw/zinc/50/90/63/493509063.db2.gz PAXUOEMSEIBTNC-LSDHHAIUSA-N 2 1 350.467 0.208 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662364902 493509981 /nfs/dbraw/zinc/50/99/81/493509981.db2.gz NJJDLAVXCZUPMN-KBPBESRZSA-N 2 1 364.494 0.820 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)C[C@H](C)O1 ZINC000662379673 493511173 /nfs/dbraw/zinc/51/11/73/493511173.db2.gz GYWGTTJSVRMSCE-GASCZTMLSA-N 2 1 372.473 0.776 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000685860609 493520122 /nfs/dbraw/zinc/52/01/22/493520122.db2.gz NOBGPOLLSHPGBR-UHFFFAOYSA-N 2 1 363.506 0.666 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000676250805 493535454 /nfs/dbraw/zinc/53/54/54/493535454.db2.gz JKXMQKFVTFUNOT-ZACQAIPSSA-N 2 1 356.511 0.848 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000676250805 493535456 /nfs/dbraw/zinc/53/54/56/493535456.db2.gz JKXMQKFVTFUNOT-ZACQAIPSSA-N 2 1 356.511 0.848 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757738 493539238 /nfs/dbraw/zinc/53/92/38/493539238.db2.gz LZPQDPYRTXQDCY-RBUKOAKNSA-N 2 1 360.502 0.804 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000662757460 493539253 /nfs/dbraw/zinc/53/92/53/493539253.db2.gz MQMUXSAYEYDFNC-SJORKVTESA-N 2 1 366.893 0.942 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662860119 493547588 /nfs/dbraw/zinc/54/75/88/493547588.db2.gz QMAPISHQDOXPHC-IAGOWNOFSA-N 2 1 370.457 0.309 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000662914294 493552849 /nfs/dbraw/zinc/55/28/49/493552849.db2.gz ZNDXEZMPYTXTQD-ARFHVFGLSA-N 2 1 374.489 0.576 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000662949955 493559409 /nfs/dbraw/zinc/55/94/09/493559409.db2.gz ZPWXONOOPAZFNJ-MSOLQXFVSA-N 2 1 358.486 0.712 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000662953901 493560566 /nfs/dbraw/zinc/56/05/66/493560566.db2.gz RAIUXNGWEPHVMZ-SCTDSRPQSA-N 2 1 372.513 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662957916 493560998 /nfs/dbraw/zinc/56/09/98/493560998.db2.gz OYLXCGRIPDLWIF-NEWSRXKRSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662957918 493561136 /nfs/dbraw/zinc/56/11/36/493561136.db2.gz OYLXCGRIPDLWIF-QRQLOZEOSA-N 2 1 372.513 0.958 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662972188 493562481 /nfs/dbraw/zinc/56/24/81/493562481.db2.gz ANUSNDSQVUHSFY-RTBURBONSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@]1(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000663616328 493604436 /nfs/dbraw/zinc/60/44/36/493604436.db2.gz VVSOPJFUXMFWIV-LJQANCHMSA-N 2 1 360.458 0.368 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874792 493620949 /nfs/dbraw/zinc/62/09/49/493620949.db2.gz DLKFOLFWCBBNKL-LSDHHAIUSA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874792 493620953 /nfs/dbraw/zinc/62/09/53/493620953.db2.gz DLKFOLFWCBBNKL-LSDHHAIUSA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[C@H]1CCSC1 ZINC000677874792 493620956 /nfs/dbraw/zinc/62/09/56/493620956.db2.gz DLKFOLFWCBBNKL-LSDHHAIUSA-N 2 1 354.520 0.364 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000663886869 493623164 /nfs/dbraw/zinc/62/31/64/493623164.db2.gz AVDOBTABXYGZOU-CQSZACIVSA-N 2 1 352.483 0.489 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671091335 493631547 /nfs/dbraw/zinc/63/15/47/493631547.db2.gz SDPZCNSJEKJBIX-PBHICJAKSA-N 2 1 362.474 0.200 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091510 493631955 /nfs/dbraw/zinc/63/19/55/493631955.db2.gz NSGOTABJCAOSIQ-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100323 493632857 /nfs/dbraw/zinc/63/28/57/493632857.db2.gz BJPUYIAHZWGCAT-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103794 493634030 /nfs/dbraw/zinc/63/40/30/493634030.db2.gz IYVMTPAHELBXIW-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671104242 493634473 /nfs/dbraw/zinc/63/44/73/493634473.db2.gz SSZVMCOKIMJPPA-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000671105619 493634849 /nfs/dbraw/zinc/63/48/49/493634849.db2.gz SMTFOVNYNZWMGF-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000664141312 493639447 /nfs/dbraw/zinc/63/94/47/493639447.db2.gz MSMSTWWYPYXQBS-NCOADZHNSA-N 2 1 356.511 0.440 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664210603 493644891 /nfs/dbraw/zinc/64/48/91/493644891.db2.gz NSVIVBIMUQDWSO-UHFFFAOYSA-N 2 1 352.483 0.633 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181863 493647688 /nfs/dbraw/zinc/64/76/88/493647688.db2.gz SZWDSPWNPAWVEP-IAGOWNOFSA-N 2 1 357.458 0.473 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671407596 493667360 /nfs/dbraw/zinc/66/73/60/493667360.db2.gz NFCRVEBFCPULJW-PMPSAXMXSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671407596 493667361 /nfs/dbraw/zinc/66/73/61/493667361.db2.gz NFCRVEBFCPULJW-PMPSAXMXSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671407596 493667362 /nfs/dbraw/zinc/66/73/62/493667362.db2.gz NFCRVEBFCPULJW-PMPSAXMXSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671407596 493667363 /nfs/dbraw/zinc/66/73/63/493667363.db2.gz NFCRVEBFCPULJW-PMPSAXMXSA-N 2 1 368.522 0.448 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000679499839 493682942 /nfs/dbraw/zinc/68/29/42/493682942.db2.gz NPGZHNWFMOIIBD-CABCVRRESA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000679499839 493682944 /nfs/dbraw/zinc/68/29/44/493682944.db2.gz NPGZHNWFMOIIBD-CABCVRRESA-N 2 1 354.414 0.949 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679504438 493683584 /nfs/dbraw/zinc/68/35/84/493683584.db2.gz KRHHHHJCUGARDM-UHFFFAOYSA-N 2 1 372.429 0.433 20 0 FCADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000679723290 493693152 /nfs/dbraw/zinc/69/31/52/493693152.db2.gz LRYQGRDRRQPMEP-MRXNPFEDSA-N 2 1 350.463 0.863 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671963546 493719691 /nfs/dbraw/zinc/71/96/91/493719691.db2.gz HUNHDWJZLLABBD-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671963546 493719694 /nfs/dbraw/zinc/71/96/94/493719694.db2.gz HUNHDWJZLLABBD-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671963546 493719696 /nfs/dbraw/zinc/71/96/96/493719696.db2.gz HUNHDWJZLLABBD-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000672010297 493723996 /nfs/dbraw/zinc/72/39/96/493723996.db2.gz NANXWCDTLBKDBJ-INIZCTEOSA-N 2 1 373.501 0.885 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665759161 493733026 /nfs/dbraw/zinc/73/30/26/493733026.db2.gz JFVHGDRIFPXRCM-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309473 493753930 /nfs/dbraw/zinc/75/39/30/493753930.db2.gz UDOBPPIWAARJNO-INIZCTEOSA-N 2 1 362.474 0.770 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311309 493754781 /nfs/dbraw/zinc/75/47/81/493754781.db2.gz CUISJHPRWQWUSD-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672311974 493754792 /nfs/dbraw/zinc/75/47/92/493754792.db2.gz XMRKAKQMUZATNS-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672311974 493754793 /nfs/dbraw/zinc/75/47/93/493754793.db2.gz XMRKAKQMUZATNS-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311974 493754794 /nfs/dbraw/zinc/75/47/94/493754794.db2.gz XMRKAKQMUZATNS-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672311971 493755020 /nfs/dbraw/zinc/75/50/20/493755020.db2.gz XMRKAKQMUZATNS-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672311971 493755022 /nfs/dbraw/zinc/75/50/22/493755022.db2.gz XMRKAKQMUZATNS-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311971 493755026 /nfs/dbraw/zinc/75/50/26/493755026.db2.gz XMRKAKQMUZATNS-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011217 674338416 /nfs/dbraw/zinc/33/84/16/674338416.db2.gz QGDVTLAJILEDCK-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011217 674338419 /nfs/dbraw/zinc/33/84/19/674338419.db2.gz QGDVTLAJILEDCK-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011217 674338422 /nfs/dbraw/zinc/33/84/22/674338422.db2.gz QGDVTLAJILEDCK-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H](C)[N@H+]1C ZINC000410875588 534283333 /nfs/dbraw/zinc/28/33/33/534283333.db2.gz YFVGUHIOGKWFSL-IYBDPMFKSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H](C)[N@@H+]1C ZINC000410875588 534283335 /nfs/dbraw/zinc/28/33/35/534283335.db2.gz YFVGUHIOGKWFSL-IYBDPMFKSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@H+]1C ZINC000410927204 534289018 /nfs/dbraw/zinc/28/90/18/534289018.db2.gz JVNGSEIWZWMNSH-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@@H+]1C ZINC000410927204 534289019 /nfs/dbraw/zinc/28/90/19/534289019.db2.gz JVNGSEIWZWMNSH-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000410538198 527820592 /nfs/dbraw/zinc/82/05/92/527820592.db2.gz KCBFJCITNASRMH-QGZVFWFLSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000410538198 527820599 /nfs/dbraw/zinc/82/05/99/527820599.db2.gz KCBFJCITNASRMH-QGZVFWFLSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000410731933 527822462 /nfs/dbraw/zinc/82/24/62/527822462.db2.gz QUWHAMQXOLBFTI-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000410731933 527822468 /nfs/dbraw/zinc/82/24/68/527822468.db2.gz QUWHAMQXOLBFTI-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731933 527822472 /nfs/dbraw/zinc/82/24/72/527822472.db2.gz QUWHAMQXOLBFTI-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731933 527822477 /nfs/dbraw/zinc/82/24/77/527822477.db2.gz QUWHAMQXOLBFTI-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000410812541 527825113 /nfs/dbraw/zinc/82/51/13/527825113.db2.gz XYPLTVXXTBDCPL-KRWDZBQOSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410780923 527990563 /nfs/dbraw/zinc/99/05/63/527990563.db2.gz AHZVPKLSKMBOCJ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410780923 527990569 /nfs/dbraw/zinc/99/05/69/527990569.db2.gz AHZVPKLSKMBOCJ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000193292227 528018114 /nfs/dbraw/zinc/01/81/14/528018114.db2.gz GXYPQSYNBFRECC-GOSISDBHSA-N 2 1 369.554 0.668 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000413310784 528198144 /nfs/dbraw/zinc/19/81/44/528198144.db2.gz DDOJWFIVRIDFEF-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410805365 528433596 /nfs/dbraw/zinc/43/35/96/528433596.db2.gz ADFRPGVQLGMHOE-HNNXBMFYSA-N 2 1 356.511 0.090 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410805365 528433600 /nfs/dbraw/zinc/43/36/00/528433600.db2.gz ADFRPGVQLGMHOE-HNNXBMFYSA-N 2 1 356.511 0.090 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000410886469 528891086 /nfs/dbraw/zinc/89/10/86/528891086.db2.gz OBKPKFAPYWOYDE-MRXNPFEDSA-N 2 1 368.522 0.497 20 0 FCADMP CC(C)[NH+]1CCC(N2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000409449027 528993082 /nfs/dbraw/zinc/99/30/82/528993082.db2.gz XRQGDJQEGMAHTD-UHFFFAOYSA-N 2 1 360.568 0.758 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413297336 529272289 /nfs/dbraw/zinc/27/22/89/529272289.db2.gz RBKFCWUYNHPKDS-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413297336 529272291 /nfs/dbraw/zinc/27/22/91/529272291.db2.gz RBKFCWUYNHPKDS-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413297336 529272293 /nfs/dbraw/zinc/27/22/93/529272293.db2.gz RBKFCWUYNHPKDS-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000419705454 535071127 /nfs/dbraw/zinc/07/11/27/535071127.db2.gz ZPLCBLCKADAGOE-YLFCFFPRSA-N 2 1 350.507 0.809 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876945 535072618 /nfs/dbraw/zinc/07/26/18/535072618.db2.gz WFBGTZUOJVNHSV-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772077 535108981 /nfs/dbraw/zinc/10/89/81/535108981.db2.gz UTVUYUVABIITKL-WFFDWFOESA-N 2 1 352.523 0.674 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419720509 535462512 /nfs/dbraw/zinc/46/25/12/535462512.db2.gz IAZQIFLHTCIVDJ-UHFFFAOYSA-N 2 1 368.428 0.771 20 0 FCADMP CC[NH2+]CC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000414834926 535476929 /nfs/dbraw/zinc/47/69/29/535476929.db2.gz UGQGGCKNBOUMBM-UHFFFAOYSA-N 2 1 368.503 0.997 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054668 535552013 /nfs/dbraw/zinc/55/20/13/535552013.db2.gz FQHKSUDMBIZZRG-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1=O ZINC000425054668 535552019 /nfs/dbraw/zinc/55/20/19/535552019.db2.gz FQHKSUDMBIZZRG-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000425054668 535552024 /nfs/dbraw/zinc/55/20/24/535552024.db2.gz FQHKSUDMBIZZRG-BSDSXHPESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423631974 535558863 /nfs/dbraw/zinc/55/88/63/535558863.db2.gz IHHKIOGHOGVOFV-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760192 535600178 /nfs/dbraw/zinc/60/01/78/535600178.db2.gz GONKCNDPZAWQNR-QAPCUYQASA-N 2 1 355.479 0.475 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423518940 535732938 /nfs/dbraw/zinc/73/29/38/535732938.db2.gz CTZKODUBXHMWGZ-RDJZCZTQSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC[N@H+]1CCOC ZINC000423518940 535732941 /nfs/dbraw/zinc/73/29/41/535732941.db2.gz CTZKODUBXHMWGZ-RDJZCZTQSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423519789 535733499 /nfs/dbraw/zinc/73/34/99/535733499.db2.gz DPRSOGXUDMCJMT-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423519789 535733506 /nfs/dbraw/zinc/73/35/06/535733506.db2.gz DPRSOGXUDMCJMT-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@@H]1C ZINC000423391139 535773738 /nfs/dbraw/zinc/77/37/38/535773738.db2.gz PJJNBZYYTQYLHX-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@@H]1C ZINC000423391139 535773741 /nfs/dbraw/zinc/77/37/41/535773741.db2.gz PJJNBZYYTQYLHX-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H]1C ZINC000423381992 535774526 /nfs/dbraw/zinc/77/45/26/535774526.db2.gz JQYKZQMSCWLGSD-HUUCEWRRSA-N 2 1 354.495 0.284 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H]1C ZINC000423381992 535774530 /nfs/dbraw/zinc/77/45/30/535774530.db2.gz JQYKZQMSCWLGSD-HUUCEWRRSA-N 2 1 354.495 0.284 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423440428 536340983 /nfs/dbraw/zinc/34/09/83/536340983.db2.gz XGCOFOOJOIXORE-LZWOXQAQSA-N 2 1 355.479 0.615 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000419404368 536348800 /nfs/dbraw/zinc/34/88/00/536348800.db2.gz GBXKHMGFLAPNSO-INIZCTEOSA-N 2 1 354.495 0.333 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000423393587 536354797 /nfs/dbraw/zinc/35/47/97/536354797.db2.gz YVMZGOMXGKPIJS-OAHLLOKOSA-N 2 1 360.458 0.970 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423387370 536416059 /nfs/dbraw/zinc/41/60/59/536416059.db2.gz MPGVFMDVUXFYQC-KRWDZBQOSA-N 2 1 373.501 0.087 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419228833 536442764 /nfs/dbraw/zinc/44/27/64/536442764.db2.gz NDPMYNIWANDACC-QGZVFWFLSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419826047 536450075 /nfs/dbraw/zinc/45/00/75/536450075.db2.gz SDKMEIBLMPNSOO-CABCVRRESA-N 2 1 350.463 0.895 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000419843766 536460456 /nfs/dbraw/zinc/46/04/56/536460456.db2.gz BGCXWGUEILDNRM-IAGOWNOFSA-N 2 1 359.474 0.230 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000419764452 536481365 /nfs/dbraw/zinc/48/13/65/536481365.db2.gz PKARZOPBDCOASJ-SFHVURJKSA-N 2 1 358.486 0.881 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419331146 537107752 /nfs/dbraw/zinc/10/77/52/537107752.db2.gz CMBXKUMKBMTADY-RDJZCZTQSA-N 2 1 374.485 0.898 20 0 FCADMP COC(=O)CSCCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370817222 546534718 /nfs/dbraw/zinc/53/47/18/546534718.db2.gz BWJYDFYSJIHTGA-HNNXBMFYSA-N 2 1 357.520 0.910 20 0 FCADMP COC(=O)CSCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370817222 546534723 /nfs/dbraw/zinc/53/47/23/546534723.db2.gz BWJYDFYSJIHTGA-HNNXBMFYSA-N 2 1 357.520 0.910 20 0 FCADMP CC[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000329378696 546553081 /nfs/dbraw/zinc/55/30/81/546553081.db2.gz PDNUDWIJKLIFPQ-UHFFFAOYSA-N 2 1 354.495 0.111 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000332789902 546854142 /nfs/dbraw/zinc/85/41/42/546854142.db2.gz SLKZGABYBLSUFV-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159296 546909788 /nfs/dbraw/zinc/90/97/88/546909788.db2.gz ZEKQHBTTYRBYMJ-KGLIPLIRSA-N 2 1 360.449 0.810 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159296 546909790 /nfs/dbraw/zinc/90/97/90/546909790.db2.gz ZEKQHBTTYRBYMJ-KGLIPLIRSA-N 2 1 360.449 0.810 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@@H+]1CCOC ZINC000433405211 546922193 /nfs/dbraw/zinc/92/21/93/546922193.db2.gz DFWFLSFVTJBBJL-HUUCEWRRSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC[N@H+]1CCOC ZINC000433405211 546922195 /nfs/dbraw/zinc/92/21/95/546922195.db2.gz DFWFLSFVTJBBJL-HUUCEWRRSA-N 2 1 350.467 0.385 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000550272894 547081802 /nfs/dbraw/zinc/08/18/02/547081802.db2.gz HMXFDJSEGGMVNQ-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000550632461 547093221 /nfs/dbraw/zinc/09/32/21/547093221.db2.gz JMUJEKSZUAFZTP-KRWDZBQOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000550714789 547099103 /nfs/dbraw/zinc/09/91/03/547099103.db2.gz GTNGBUGQEKOKKA-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000550784067 547105574 /nfs/dbraw/zinc/10/55/74/547105574.db2.gz COVHWFVMADGHHH-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550784067 547105580 /nfs/dbraw/zinc/10/55/80/547105580.db2.gz COVHWFVMADGHHH-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550784067 547105584 /nfs/dbraw/zinc/10/55/84/547105584.db2.gz COVHWFVMADGHHH-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000550902372 547113615 /nfs/dbraw/zinc/11/36/15/547113615.db2.gz SPWIRRSVBRJWCN-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000550902372 547113622 /nfs/dbraw/zinc/11/36/22/547113622.db2.gz SPWIRRSVBRJWCN-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000550902372 547113626 /nfs/dbraw/zinc/11/36/26/547113626.db2.gz SPWIRRSVBRJWCN-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550902975 547113797 /nfs/dbraw/zinc/11/37/97/547113797.db2.gz XDJUWZOAJPBUQV-GJZGRUSLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624552 547157028 /nfs/dbraw/zinc/15/70/28/547157028.db2.gz WDOXGMIWKKJGRU-BBRMVZONSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000552474705 547212402 /nfs/dbraw/zinc/21/24/02/547212402.db2.gz WCACHVFYBDSGPN-ZDUSSCGKSA-N 2 1 368.503 0.585 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1CC1 ZINC000553099387 547253878 /nfs/dbraw/zinc/25/38/78/547253878.db2.gz PJDIEZFAADLAGB-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000553099387 547253881 /nfs/dbraw/zinc/25/38/81/547253881.db2.gz PJDIEZFAADLAGB-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000553099387 547253884 /nfs/dbraw/zinc/25/38/84/547253884.db2.gz PJDIEZFAADLAGB-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)CC1 ZINC000553532274 547285793 /nfs/dbraw/zinc/28/57/93/547285793.db2.gz NIMUZBJCDGICNU-LJQANCHMSA-N 3 1 354.539 0.612 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCCNC3=O)CC2)CC1 ZINC000553555836 547288426 /nfs/dbraw/zinc/28/84/26/547288426.db2.gz COGVKFGIRVSOOS-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734447 547304184 /nfs/dbraw/zinc/30/41/84/547304184.db2.gz ZHRRKPNZFCOPCD-GJZGRUSLSA-N 2 1 356.511 0.306 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654372479 547322186 /nfs/dbraw/zinc/32/21/86/547322186.db2.gz KWMOMKAGGHDACK-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654372479 547322188 /nfs/dbraw/zinc/32/21/88/547322188.db2.gz KWMOMKAGGHDACK-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3cnon3)CC2)O1 ZINC000948541156 674380376 /nfs/dbraw/zinc/38/03/76/674380376.db2.gz CTBPGCMZCHXCNI-FVQBIDKESA-N 2 1 351.451 0.602 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3cnon3)CC2)O1 ZINC000948541156 674380378 /nfs/dbraw/zinc/38/03/78/674380378.db2.gz CTBPGCMZCHXCNI-FVQBIDKESA-N 2 1 351.451 0.602 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948995284 674391555 /nfs/dbraw/zinc/39/15/55/674391555.db2.gz YPIGYLQOICJXDB-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000949011189 674391949 /nfs/dbraw/zinc/39/19/49/674391949.db2.gz SPWMZHPSKDYPDI-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000949011189 674391951 /nfs/dbraw/zinc/39/19/51/674391951.db2.gz SPWMZHPSKDYPDI-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000949011189 674391952 /nfs/dbraw/zinc/39/19/52/674391952.db2.gz SPWMZHPSKDYPDI-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000949197458 674397302 /nfs/dbraw/zinc/39/73/02/674397302.db2.gz SLJPJZHQLZUHKC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCCC1 ZINC000735711274 598521237 /nfs/dbraw/zinc/52/12/37/598521237.db2.gz XOJQHVKBCKXZLG-UKRRQHHQSA-N 2 1 359.482 0.815 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000950996454 674445684 /nfs/dbraw/zinc/44/56/84/674445684.db2.gz NNHCKIPUOVYDED-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1-c1nn[nH]n1 ZINC000821813978 599431793 /nfs/dbraw/zinc/43/17/93/599431793.db2.gz QTIOSHNMAADSRT-CQSZACIVSA-N 2 1 373.461 0.552 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000953818562 674485114 /nfs/dbraw/zinc/48/51/14/674485114.db2.gz YGSOLIVBIPKBDO-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000953818562 674485116 /nfs/dbraw/zinc/48/51/16/674485116.db2.gz YGSOLIVBIPKBDO-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000953818562 674485118 /nfs/dbraw/zinc/48/51/18/674485118.db2.gz YGSOLIVBIPKBDO-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000954408230 674496598 /nfs/dbraw/zinc/49/65/98/674496598.db2.gz BLCFUEICHQCVNI-HLLBOEOZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000954408230 674496599 /nfs/dbraw/zinc/49/65/99/674496599.db2.gz BLCFUEICHQCVNI-HLLBOEOZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000954408230 674496600 /nfs/dbraw/zinc/49/66/00/674496600.db2.gz BLCFUEICHQCVNI-HLLBOEOZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000955083675 674509123 /nfs/dbraw/zinc/50/91/23/674509123.db2.gz YAZRXSKZYVRNQF-QSJFSLAZSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000955083675 674509127 /nfs/dbraw/zinc/50/91/27/674509127.db2.gz YAZRXSKZYVRNQF-QSJFSLAZSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000955083675 674509130 /nfs/dbraw/zinc/50/91/30/674509130.db2.gz YAZRXSKZYVRNQF-QSJFSLAZSA-N 2 1 350.507 0.726 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588568 665732497 /nfs/dbraw/zinc/73/24/97/665732497.db2.gz SMDNIJNVAFKDKJ-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588568 665732498 /nfs/dbraw/zinc/73/24/98/665732498.db2.gz SMDNIJNVAFKDKJ-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588568 665732500 /nfs/dbraw/zinc/73/25/00/665732500.db2.gz SMDNIJNVAFKDKJ-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCN(C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793472 /nfs/dbraw/zinc/79/34/72/665793472.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793475 /nfs/dbraw/zinc/79/34/75/665793475.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 1 366.428 0.930 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000938184436 665867666 /nfs/dbraw/zinc/86/76/66/665867666.db2.gz XSPGHLMEKQMOSC-QXSJWSMHSA-N 2 1 354.495 0.009 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000938184436 665867670 /nfs/dbraw/zinc/86/76/70/665867670.db2.gz XSPGHLMEKQMOSC-QXSJWSMHSA-N 2 1 354.495 0.009 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001022105165 663405144 /nfs/dbraw/zinc/40/51/44/663405144.db2.gz SDQMTALKCFJBNH-YIYPIFLZSA-N 2 1 351.451 0.336 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001022105165 663405145 /nfs/dbraw/zinc/40/51/45/663405145.db2.gz SDQMTALKCFJBNH-YIYPIFLZSA-N 2 1 351.451 0.336 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891483844 663409021 /nfs/dbraw/zinc/40/90/21/663409021.db2.gz RZJZCVQUCIKOHM-JYJNAYRXSA-N 2 1 351.495 0.465 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1C(F)(F)F ZINC000891513853 663410827 /nfs/dbraw/zinc/41/08/27/663410827.db2.gz IALMBCGLEWTSHY-LPWJVIDDSA-N 2 1 350.385 0.628 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000891582118 663416631 /nfs/dbraw/zinc/41/66/31/663416631.db2.gz CNTJDEGSLJOVLO-HOTGVXAUSA-N 2 1 354.495 0.413 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000891582866 663416636 /nfs/dbraw/zinc/41/66/36/663416636.db2.gz IJTNXGUEJSEHJD-AGIUHOORSA-N 2 1 352.401 0.733 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891579965 663416878 /nfs/dbraw/zinc/41/68/78/663416878.db2.gz QIPVBOLLZGCQTM-KBPBESRZSA-N 2 1 365.444 0.793 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000891600568 663417936 /nfs/dbraw/zinc/41/79/36/663417936.db2.gz CRVIVRPTAZKAGO-HZSPNIEDSA-N 2 1 365.444 0.649 20 0 FCADMP Cc1ncsc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022275383 663428809 /nfs/dbraw/zinc/42/88/09/663428809.db2.gz KVJRQXIFFVQGEP-REBRKWNGSA-N 2 1 352.504 0.950 20 0 FCADMP Cc1ncsc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022275383 663428811 /nfs/dbraw/zinc/42/88/11/663428811.db2.gz KVJRQXIFFVQGEP-REBRKWNGSA-N 2 1 352.504 0.950 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000891903801 663448135 /nfs/dbraw/zinc/44/81/35/663448135.db2.gz QGKHIOQYGVQECH-PKOBYXMFSA-N 2 1 351.539 0.997 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000891903801 663448136 /nfs/dbraw/zinc/44/81/36/663448136.db2.gz QGKHIOQYGVQECH-PKOBYXMFSA-N 2 1 351.539 0.997 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000891903801 663448137 /nfs/dbraw/zinc/44/81/37/663448137.db2.gz QGKHIOQYGVQECH-PKOBYXMFSA-N 2 1 351.539 0.997 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000891925201 663450239 /nfs/dbraw/zinc/45/02/39/663450239.db2.gz FQJNFAXVEQUKDR-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000891925201 663450243 /nfs/dbraw/zinc/45/02/43/663450243.db2.gz FQJNFAXVEQUKDR-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000891927881 663450636 /nfs/dbraw/zinc/45/06/36/663450636.db2.gz ZIQLNRRDMXAUEA-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892041748 663469755 /nfs/dbraw/zinc/46/97/55/663469755.db2.gz VBTOOPHXXKLSCF-IRXDYDNUSA-N 2 1 355.527 0.600 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892072975 663473232 /nfs/dbraw/zinc/47/32/32/663473232.db2.gz WOAKHOOWPOUEBT-KRWDZBQOSA-N 2 1 351.495 0.002 20 0 FCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892092035 663475352 /nfs/dbraw/zinc/47/53/52/663475352.db2.gz OEHDSNIETWKDLM-IKGGRYGDSA-N 2 1 353.511 0.080 20 0 FCADMP FC(F)(F)[C@H](CNCc1ccc(N2CC[NH2+]CC2)o1)N1CC[NH2+]CC1 ZINC000904355231 665987404 /nfs/dbraw/zinc/98/74/04/665987404.db2.gz LUPAWELCZBJQFB-AWEZNQCLSA-N 2 1 361.412 0.615 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)NC2CC2)CC[N@@H+]1C ZINC001024448188 663944049 /nfs/dbraw/zinc/94/40/49/663944049.db2.gz FEXYLMGCZSFEKB-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)NC2CC2)CC[N@H+]1C ZINC001024448188 663944051 /nfs/dbraw/zinc/94/40/51/663944051.db2.gz FEXYLMGCZSFEKB-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC001024448188 663944053 /nfs/dbraw/zinc/94/40/53/663944053.db2.gz FEXYLMGCZSFEKB-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC001024448188 663944055 /nfs/dbraw/zinc/94/40/55/663944055.db2.gz FEXYLMGCZSFEKB-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947251440 664029476 /nfs/dbraw/zinc/02/94/76/664029476.db2.gz MYHIJATXAQOSKN-FVQBIDKESA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000947251440 664029478 /nfs/dbraw/zinc/02/94/78/664029478.db2.gz MYHIJATXAQOSKN-FVQBIDKESA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025794015 664192104 /nfs/dbraw/zinc/19/21/04/664192104.db2.gz INZAPLINCKLUKI-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025794015 664192105 /nfs/dbraw/zinc/19/21/05/664192105.db2.gz INZAPLINCKLUKI-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025794015 664192106 /nfs/dbraw/zinc/19/21/06/664192106.db2.gz INZAPLINCKLUKI-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025794015 664192107 /nfs/dbraw/zinc/19/21/07/664192107.db2.gz INZAPLINCKLUKI-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CCC1 ZINC001025818355 664195494 /nfs/dbraw/zinc/19/54/94/664195494.db2.gz QGHAOMSYLSQZSK-XNNFIENISA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818355 664195496 /nfs/dbraw/zinc/19/54/96/664195496.db2.gz QGHAOMSYLSQZSK-XNNFIENISA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818355 664195497 /nfs/dbraw/zinc/19/54/97/664195497.db2.gz QGHAOMSYLSQZSK-XNNFIENISA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818355 664195500 /nfs/dbraw/zinc/19/55/00/664195500.db2.gz QGHAOMSYLSQZSK-XNNFIENISA-N 2 1 351.491 0.567 20 0 FCADMP CO[C@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CCC1 ZINC001025818355 664195503 /nfs/dbraw/zinc/19/55/03/664195503.db2.gz QGHAOMSYLSQZSK-XNNFIENISA-N 2 1 351.491 0.567 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112415 664205912 /nfs/dbraw/zinc/20/59/12/664205912.db2.gz MVLTVAGBBKTMIZ-BRWVUGGUSA-N 2 1 354.495 0.195 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112415 664205914 /nfs/dbraw/zinc/20/59/14/664205914.db2.gz MVLTVAGBBKTMIZ-BRWVUGGUSA-N 2 1 354.495 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000974190193 664227151 /nfs/dbraw/zinc/22/71/51/664227151.db2.gz DKMRACYRPBMRAC-VVLHAWIVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnns3)CC2)O1 ZINC001026514396 664239523 /nfs/dbraw/zinc/23/95/23/664239523.db2.gz COOIULFGEGVGDG-XZNOPERXSA-N 2 1 353.492 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001026917099 664277629 /nfs/dbraw/zinc/27/76/29/664277629.db2.gz VTARYMGOUIFTQQ-HZSPNIEDSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001026917099 664277630 /nfs/dbraw/zinc/27/76/30/664277630.db2.gz VTARYMGOUIFTQQ-HZSPNIEDSA-N 2 1 369.897 0.731 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC000974829585 664283984 /nfs/dbraw/zinc/28/39/84/664283984.db2.gz LDIPCMJSVGFOQR-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000975305672 664312136 /nfs/dbraw/zinc/31/21/36/664312136.db2.gz CIYZFQNYLNQNMF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415708 664396103 /nfs/dbraw/zinc/39/61/03/664396103.db2.gz PXALRNHTBATFJX-KURKYZTESA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000977803359 664425038 /nfs/dbraw/zinc/42/50/38/664425038.db2.gz ZYBQEITXWMYLDB-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCc4ccns4)C[C@H]32)O1 ZINC000978338864 664435435 /nfs/dbraw/zinc/43/54/35/664435435.db2.gz QJFLLPBWGBUKAB-FYNNLBNCSA-N 2 1 364.515 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCc4ccns4)C[C@H]32)O1 ZINC000978338864 664435437 /nfs/dbraw/zinc/43/54/37/664435437.db2.gz QJFLLPBWGBUKAB-FYNNLBNCSA-N 2 1 364.515 0.699 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)O1 ZINC000978338864 664435443 /nfs/dbraw/zinc/43/54/43/664435443.db2.gz QJFLLPBWGBUKAB-FYNNLBNCSA-N 2 1 364.515 0.699 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)O1 ZINC000978338864 664435446 /nfs/dbraw/zinc/43/54/46/664435446.db2.gz QJFLLPBWGBUKAB-FYNNLBNCSA-N 2 1 364.515 0.699 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000978879433 664448999 /nfs/dbraw/zinc/44/89/99/664448999.db2.gz CYQOBILPLJICCU-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000978879433 664449001 /nfs/dbraw/zinc/44/90/01/664449001.db2.gz CYQOBILPLJICCU-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000978879433 664449005 /nfs/dbraw/zinc/44/90/05/664449005.db2.gz CYQOBILPLJICCU-DMRKSPOLSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000979887151 664465407 /nfs/dbraw/zinc/46/54/07/664465407.db2.gz UFYFEAINXIZOGQ-QUSNUVHPSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000979887151 664465410 /nfs/dbraw/zinc/46/54/10/664465410.db2.gz UFYFEAINXIZOGQ-QUSNUVHPSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000979887151 664465412 /nfs/dbraw/zinc/46/54/12/664465412.db2.gz UFYFEAINXIZOGQ-QUSNUVHPSA-N 2 1 350.507 0.679 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981379231 664824602 /nfs/dbraw/zinc/82/46/02/664824602.db2.gz LMKMGHQVDNRVJT-USXIJHARSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776836 664839302 /nfs/dbraw/zinc/83/93/02/664839302.db2.gz YBFOCJYZCPXXRQ-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001028551280 664901799 /nfs/dbraw/zinc/90/17/99/664901799.db2.gz MCDRBOIQLHUWLW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001028551280 664901801 /nfs/dbraw/zinc/90/18/01/664901801.db2.gz MCDRBOIQLHUWLW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001028551280 664901802 /nfs/dbraw/zinc/90/18/02/664901802.db2.gz MCDRBOIQLHUWLW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261779460 664911700 /nfs/dbraw/zinc/91/17/00/664911700.db2.gz XUHDUXLZZYOWNK-INIZCTEOSA-N 2 1 352.504 0.416 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261779464 664911783 /nfs/dbraw/zinc/91/17/83/664911783.db2.gz XUHDUXLZZYOWNK-MRXNPFEDSA-N 2 1 352.504 0.416 20 0 FCADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924964801 664947192 /nfs/dbraw/zinc/94/71/92/664947192.db2.gz DWWANFROYSYUKJ-INIZCTEOSA-N 2 1 360.568 0.664 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237580 665078062 /nfs/dbraw/zinc/07/80/62/665078062.db2.gz UMHBUKILXRLSOV-INIZCTEOSA-N 2 1 351.495 0.372 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237580 665078067 /nfs/dbraw/zinc/07/80/67/665078067.db2.gz UMHBUKILXRLSOV-INIZCTEOSA-N 2 1 351.495 0.372 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000985442584 665167674 /nfs/dbraw/zinc/16/76/74/665167674.db2.gz PWCDBWQZJQSMIE-BPLDGKMQSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985442584 665167675 /nfs/dbraw/zinc/16/76/75/665167675.db2.gz PWCDBWQZJQSMIE-BPLDGKMQSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985442584 665167676 /nfs/dbraw/zinc/16/76/76/665167676.db2.gz PWCDBWQZJQSMIE-BPLDGKMQSA-N 2 1 350.463 0.055 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986329233 665209466 /nfs/dbraw/zinc/20/94/66/665209466.db2.gz RNBXMNBXPWNYQK-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001029966337 665219623 /nfs/dbraw/zinc/21/96/23/665219623.db2.gz QQXHYVUTPBPSJP-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000041745813 665285982 /nfs/dbraw/zinc/28/59/82/665285982.db2.gz JXUPMSWVOFOKAE-MRXNPFEDSA-N 2 1 369.579 0.925 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000041745813 665285984 /nfs/dbraw/zinc/28/59/84/665285984.db2.gz JXUPMSWVOFOKAE-MRXNPFEDSA-N 2 1 369.579 0.925 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000897441291 665288407 /nfs/dbraw/zinc/28/84/07/665288407.db2.gz BTERQSSTAPMCEO-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000897443588 665288474 /nfs/dbraw/zinc/28/84/74/665288474.db2.gz XSIPOLXEGWSASG-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000897443588 665288476 /nfs/dbraw/zinc/28/84/76/665288476.db2.gz XSIPOLXEGWSASG-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000897443588 665288477 /nfs/dbraw/zinc/28/84/77/665288477.db2.gz XSIPOLXEGWSASG-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000897488214 665293835 /nfs/dbraw/zinc/29/38/35/665293835.db2.gz YBAUOSFUXSKPSW-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000897488214 665293836 /nfs/dbraw/zinc/29/38/36/665293836.db2.gz YBAUOSFUXSKPSW-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000897488214 665293837 /nfs/dbraw/zinc/29/38/37/665293837.db2.gz YBAUOSFUXSKPSW-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000988776574 665314170 /nfs/dbraw/zinc/31/41/70/665314170.db2.gz WOHZTWWHQJTOJD-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000905086080 666003665 /nfs/dbraw/zinc/00/36/65/666003665.db2.gz GZSWIRYTKYVEFZ-IAGOWNOFSA-N 2 1 350.507 0.731 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905362601 666021655 /nfs/dbraw/zinc/02/16/55/666021655.db2.gz QWOKMDOWGLFGEB-UHFFFAOYSA-N 2 1 372.535 0.122 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000910891159 666288905 /nfs/dbraw/zinc/28/89/05/666288905.db2.gz CTNZUJTZEQWHIC-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000910891159 666288907 /nfs/dbraw/zinc/28/89/07/666288907.db2.gz CTNZUJTZEQWHIC-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000910891159 666288909 /nfs/dbraw/zinc/28/89/09/666288909.db2.gz CTNZUJTZEQWHIC-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000910891159 666288911 /nfs/dbraw/zinc/28/89/11/666288911.db2.gz CTNZUJTZEQWHIC-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CC(C)C)C1 ZINC000910893841 666289292 /nfs/dbraw/zinc/28/92/92/666289292.db2.gz SMEIXIIYRMDBLV-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000910893841 666289294 /nfs/dbraw/zinc/28/92/94/666289294.db2.gz SMEIXIIYRMDBLV-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000910893841 666289296 /nfs/dbraw/zinc/28/92/96/666289296.db2.gz SMEIXIIYRMDBLV-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000910893841 666289298 /nfs/dbraw/zinc/28/92/98/666289298.db2.gz SMEIXIIYRMDBLV-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000910893841 666289300 /nfs/dbraw/zinc/28/93/00/666289300.db2.gz SMEIXIIYRMDBLV-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911358803 666339900 /nfs/dbraw/zinc/33/99/00/666339900.db2.gz SAJRQIOPGRBCNU-YYIAUSFCSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911358803 666339902 /nfs/dbraw/zinc/33/99/02/666339902.db2.gz SAJRQIOPGRBCNU-YYIAUSFCSA-N 2 1 350.507 0.822 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)CCC(F)(F)F ZINC000419209692 674733059 /nfs/dbraw/zinc/73/30/59/674733059.db2.gz PSBXXHRQIJCKOO-HNNXBMFYSA-N 2 1 364.412 0.731 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)CCC(F)(F)F ZINC000419209692 674733061 /nfs/dbraw/zinc/73/30/61/674733061.db2.gz PSBXXHRQIJCKOO-HNNXBMFYSA-N 2 1 364.412 0.731 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911931677 666383184 /nfs/dbraw/zinc/38/31/84/666383184.db2.gz BERLIBLIQGFEJE-HNNXBMFYSA-N 2 1 355.479 0.177 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911931677 666383187 /nfs/dbraw/zinc/38/31/87/666383187.db2.gz BERLIBLIQGFEJE-HNNXBMFYSA-N 2 1 355.479 0.177 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@@H](CO)CC[C@@H]3CO)CC2)CC1 ZINC000912228477 666396733 /nfs/dbraw/zinc/39/67/33/666396733.db2.gz PALDMBYOKUVLCY-QZTJIDSGSA-N 2 1 353.507 0.527 20 0 FCADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912286884 666398595 /nfs/dbraw/zinc/39/85/95/666398595.db2.gz HNJJRGDTDGLSGF-IBGZPJMESA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000938523502 666468789 /nfs/dbraw/zinc/46/87/89/666468789.db2.gz ZNLPCLZPWQAXLO-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000938549588 666469713 /nfs/dbraw/zinc/46/97/13/666469713.db2.gz UEZHTNGWECUYMC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000939120482 666502067 /nfs/dbraw/zinc/50/20/67/666502067.db2.gz HKGZMKYREVMFJL-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000939120482 666502071 /nfs/dbraw/zinc/50/20/71/666502071.db2.gz HKGZMKYREVMFJL-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC000939120482 666502074 /nfs/dbraw/zinc/50/20/74/666502074.db2.gz HKGZMKYREVMFJL-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886783 666530852 /nfs/dbraw/zinc/53/08/52/666530852.db2.gz ACCGDVDFKZMTPC-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884532 666530869 /nfs/dbraw/zinc/53/08/69/666530869.db2.gz JRMGDRDOXISWKL-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063148508 666604261 /nfs/dbraw/zinc/60/42/61/666604261.db2.gz SHMDVAICBRJDCT-UHFFFAOYSA-N 2 1 355.552 0.535 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992313228 666632853 /nfs/dbraw/zinc/63/28/53/666632853.db2.gz LOIDACPHYVVIJV-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992313228 666632856 /nfs/dbraw/zinc/63/28/56/666632856.db2.gz LOIDACPHYVVIJV-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992313228 666632859 /nfs/dbraw/zinc/63/28/59/666632859.db2.gz LOIDACPHYVVIJV-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000992400190 666636081 /nfs/dbraw/zinc/63/60/81/666636081.db2.gz MRBVZPFIJJWUTN-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000992400190 666636083 /nfs/dbraw/zinc/63/60/83/666636083.db2.gz MRBVZPFIJJWUTN-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000992400190 666636085 /nfs/dbraw/zinc/63/60/85/666636085.db2.gz MRBVZPFIJJWUTN-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000992401750 666636111 /nfs/dbraw/zinc/63/61/11/666636111.db2.gz UPTPAODYJBNTMP-NXNVCVFFSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000992401750 666636112 /nfs/dbraw/zinc/63/61/12/666636112.db2.gz UPTPAODYJBNTMP-NXNVCVFFSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000992401750 666636113 /nfs/dbraw/zinc/63/61/13/666636113.db2.gz UPTPAODYJBNTMP-NXNVCVFFSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000943705964 666783942 /nfs/dbraw/zinc/78/39/42/666783942.db2.gz UNFMQKDGRIZYJG-ZHCJQAHYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000943705964 666783944 /nfs/dbraw/zinc/78/39/44/666783944.db2.gz UNFMQKDGRIZYJG-ZHCJQAHYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000943705964 666783945 /nfs/dbraw/zinc/78/39/45/666783945.db2.gz UNFMQKDGRIZYJG-ZHCJQAHYSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H]3CCN(CC)C3=O)CC2)CC[N@H+]1C ZINC000996604031 666945284 /nfs/dbraw/zinc/94/52/84/666945284.db2.gz QKPXBBPHIFIYEZ-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC000996605078 666946272 /nfs/dbraw/zinc/94/62/72/666946272.db2.gz AGXMDQNWUTYRAD-TZMCWYRMSA-N 2 1 350.467 0.556 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC000996605078 666946274 /nfs/dbraw/zinc/94/62/74/666946274.db2.gz AGXMDQNWUTYRAD-TZMCWYRMSA-N 2 1 350.467 0.556 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ncc(Cl)n3C)CC2)O1 ZINC000996710848 666962710 /nfs/dbraw/zinc/96/27/10/666962710.db2.gz GDOXBMLLXWVHKQ-TZMCWYRMSA-N 2 1 369.897 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ncc(Cl)n3C)CC2)O1 ZINC000996710848 666962714 /nfs/dbraw/zinc/96/27/14/666962714.db2.gz GDOXBMLLXWVHKQ-TZMCWYRMSA-N 2 1 369.897 0.873 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961666159 674785856 /nfs/dbraw/zinc/78/58/56/674785856.db2.gz FMFZIYRQSKRLHH-NQNKBUKLSA-N 2 1 350.507 0.584 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000735983229 667063573 /nfs/dbraw/zinc/06/35/73/667063573.db2.gz QPDRJTUQVXAPQL-MRXNPFEDSA-N 2 1 370.563 0.674 20 0 FCADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000997855549 667177857 /nfs/dbraw/zinc/17/78/57/667177857.db2.gz NETJEABJEWEABA-IUODEOHRSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000997855549 667177860 /nfs/dbraw/zinc/17/78/60/667177860.db2.gz NETJEABJEWEABA-IUODEOHRSA-N 2 1 367.519 0.894 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)O1 ZINC000997857867 667177890 /nfs/dbraw/zinc/17/78/90/667177890.db2.gz CPNHKEAZRKHPAJ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)O1 ZINC000997857867 667177893 /nfs/dbraw/zinc/17/78/93/667177893.db2.gz CPNHKEAZRKHPAJ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000998797405 667221614 /nfs/dbraw/zinc/22/16/14/667221614.db2.gz SCXJWYOXXPMHJN-XSCHDIRWSA-N 2 1 352.458 0.667 20 0 FCADMP CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993743 667259681 /nfs/dbraw/zinc/25/96/81/667259681.db2.gz VAQWUZDZRDJQCY-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993743 667259682 /nfs/dbraw/zinc/25/96/82/667259682.db2.gz VAQWUZDZRDJQCY-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993743 667259684 /nfs/dbraw/zinc/25/96/84/667259684.db2.gz VAQWUZDZRDJQCY-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993743 667259685 /nfs/dbraw/zinc/25/96/85/667259685.db2.gz VAQWUZDZRDJQCY-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001002264440 667527635 /nfs/dbraw/zinc/52/76/35/667527635.db2.gz WXLGFDFCOWGGGP-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC001002852353 667571036 /nfs/dbraw/zinc/57/10/36/667571036.db2.gz OHUDUNHGSYVLLY-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCc3ccns3)CC2)O1 ZINC001003140365 667598032 /nfs/dbraw/zinc/59/80/32/667598032.db2.gz RHTAPSFIQMFJLC-CZUORRHYSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCc3ccns3)CC2)O1 ZINC001003140365 667598034 /nfs/dbraw/zinc/59/80/34/667598034.db2.gz RHTAPSFIQMFJLC-CZUORRHYSA-N 2 1 352.504 0.985 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001033096122 667671188 /nfs/dbraw/zinc/67/11/88/667671188.db2.gz JFUGBOKXRXVABA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001033096122 667671192 /nfs/dbraw/zinc/67/11/92/667671192.db2.gz JFUGBOKXRXVABA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001033096122 667671195 /nfs/dbraw/zinc/67/11/95/667671195.db2.gz JFUGBOKXRXVABA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001033096122 667671196 /nfs/dbraw/zinc/67/11/96/667671196.db2.gz JFUGBOKXRXVABA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001034647283 667761895 /nfs/dbraw/zinc/76/18/95/667761895.db2.gz CPXRTXUWLMZOHP-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034975901 667772858 /nfs/dbraw/zinc/77/28/58/667772858.db2.gz ZDPPMKRZONUXEI-MRVWCRGKSA-N 2 1 353.492 0.646 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034975901 667772861 /nfs/dbraw/zinc/77/28/61/667772861.db2.gz ZDPPMKRZONUXEI-MRVWCRGKSA-N 2 1 353.492 0.646 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CCS(C)(=O)=O)C3)CC2)CC[N@H+]1C ZINC001035187545 667775362 /nfs/dbraw/zinc/77/53/62/667775362.db2.gz ZXPUZVFHBIGDOZ-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CCS(C)(=O)=O)C3)CC2)CC[NH+]1C ZINC001035187545 667775367 /nfs/dbraw/zinc/77/53/67/667775367.db2.gz ZXPUZVFHBIGDOZ-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CCS(C)(=O)=O)C3)CC2)CC[NH+]1C ZINC001035187545 667775373 /nfs/dbraw/zinc/77/53/73/667775373.db2.gz ZXPUZVFHBIGDOZ-HZPDHXFCSA-N 2 1 371.547 0.686 20 0 FCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923305421 667823889 /nfs/dbraw/zinc/82/38/89/667823889.db2.gz IDWPOQQYOOTDIE-RCBQFDQVSA-N 2 1 357.451 0.419 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380563 667829441 /nfs/dbraw/zinc/82/94/41/667829441.db2.gz OXMHDHFMLIEOAJ-IKGGRYGDSA-N 2 1 354.495 0.240 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923449975 667837345 /nfs/dbraw/zinc/83/73/45/667837345.db2.gz RUPMUZBERZUMDO-AWEZNQCLSA-N 2 1 357.476 0.860 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000946907895 667839520 /nfs/dbraw/zinc/83/95/20/667839520.db2.gz RXGIHZWLCUTRIW-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000946907895 667839527 /nfs/dbraw/zinc/83/95/27/667839527.db2.gz RXGIHZWLCUTRIW-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000946907895 667839532 /nfs/dbraw/zinc/83/95/32/667839532.db2.gz RXGIHZWLCUTRIW-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760491104 667851627 /nfs/dbraw/zinc/85/16/27/667851627.db2.gz LLIROWHTOOZXAB-AWEZNQCLSA-N 2 1 356.536 0.772 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000764500852 667985116 /nfs/dbraw/zinc/98/51/16/667985116.db2.gz AKDDJSONVHWUBA-OAHLLOKOSA-N 2 1 369.579 0.687 20 0 FCADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000775013255 668194483 /nfs/dbraw/zinc/19/44/83/668194483.db2.gz SVQRSWWMAQFETR-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=S)NCCCN1CCOCC1 ZINC000782405083 668559871 /nfs/dbraw/zinc/55/98/71/668559871.db2.gz JSAZKUQLBHNZQC-MRXNPFEDSA-N 2 1 370.563 0.768 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)CSCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783918207 668636710 /nfs/dbraw/zinc/63/67/10/668636710.db2.gz PZGQDYDPVQABSD-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CSCC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783918207 668636712 /nfs/dbraw/zinc/63/67/12/668636712.db2.gz PZGQDYDPVQABSD-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)CSCC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783918207 668636714 /nfs/dbraw/zinc/63/67/14/668636714.db2.gz PZGQDYDPVQABSD-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)COCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783917489 668636774 /nfs/dbraw/zinc/63/67/74/668636774.db2.gz ALPSZBDCNPPXDL-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000788609840 668834731 /nfs/dbraw/zinc/83/47/31/668834731.db2.gz HXGPQMPDJMKJRN-HOTGVXAUSA-N 2 1 353.488 0.890 20 0 FCADMP CN(C)C(=O)OC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000821774010 669217350 /nfs/dbraw/zinc/21/73/50/669217350.db2.gz DSRSZNAPJPHYTA-AWEZNQCLSA-N 2 1 354.451 0.228 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000830454137 669784932 /nfs/dbraw/zinc/78/49/32/669784932.db2.gz BGUCPTIVVPFTQD-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000830454137 669784936 /nfs/dbraw/zinc/78/49/36/669784936.db2.gz BGUCPTIVVPFTQD-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000830454137 669784940 /nfs/dbraw/zinc/78/49/40/669784940.db2.gz BGUCPTIVVPFTQD-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000830454137 669784944 /nfs/dbraw/zinc/78/49/44/669784944.db2.gz BGUCPTIVVPFTQD-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738341 669972262 /nfs/dbraw/zinc/97/22/62/669972262.db2.gz WHMJUZFKUPJAGG-JONQDZQNSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738341 669972267 /nfs/dbraw/zinc/97/22/67/669972267.db2.gz WHMJUZFKUPJAGG-JONQDZQNSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738341 669972271 /nfs/dbraw/zinc/97/22/71/669972271.db2.gz WHMJUZFKUPJAGG-JONQDZQNSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000834738341 669972275 /nfs/dbraw/zinc/97/22/75/669972275.db2.gz WHMJUZFKUPJAGG-JONQDZQNSA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C(COC)COC)CC1 ZINC000840853273 670522876 /nfs/dbraw/zinc/52/28/76/670522876.db2.gz IYFFNKLWKXECQT-HNNXBMFYSA-N 2 1 358.552 0.624 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C(COC)COC)CC1 ZINC000840853273 670522877 /nfs/dbraw/zinc/52/28/77/670522877.db2.gz IYFFNKLWKXECQT-HNNXBMFYSA-N 2 1 358.552 0.624 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841165222 670538461 /nfs/dbraw/zinc/53/84/61/670538461.db2.gz ABBRLGDWCGDXIO-UHFFFAOYSA-N 2 1 367.881 0.756 20 0 FCADMP C[NH+](C)CCCNS(=O)(=O)c1cccc(-c2noc(C3([NH3+])CC3)n2)c1 ZINC000843202428 670779676 /nfs/dbraw/zinc/77/96/76/670779676.db2.gz JFLDIDNWYYBMBB-UHFFFAOYSA-N 2 1 365.459 0.914 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C[C@@H](C)O1 ZINC000843258824 670789084 /nfs/dbraw/zinc/78/90/84/670789084.db2.gz CSXHTGQNOUKRBR-HUUCEWRRSA-N 2 1 356.511 0.626 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362932 670807526 /nfs/dbraw/zinc/80/75/26/670807526.db2.gz VIUDKVBIKSIWMR-QWHCGFSZSA-N 2 1 351.451 0.332 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)NC(=O)N[C@@H]1C ZINC000843388681 670811794 /nfs/dbraw/zinc/81/17/94/670811794.db2.gz WEXBEKGZTNNTBP-RDBSUJKOSA-N 2 1 350.463 0.826 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844179172 670905914 /nfs/dbraw/zinc/90/59/14/670905914.db2.gz REHWEPYFRMTMJG-FGTMMUONSA-N 2 1 352.523 0.772 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968008559 675176965 /nfs/dbraw/zinc/17/69/65/675176965.db2.gz FESDFWLWLUZHMW-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000968008559 675176967 /nfs/dbraw/zinc/17/69/67/675176967.db2.gz FESDFWLWLUZHMW-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000968008559 675176972 /nfs/dbraw/zinc/17/69/72/675176972.db2.gz FESDFWLWLUZHMW-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3N=NC(=S)N3C)CC2)CC1 ZINC000847441048 671193389 /nfs/dbraw/zinc/19/33/89/671193389.db2.gz QULZPEGXUSKAHK-UHFFFAOYSA-N 2 1 366.535 0.916 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H]3CCO)CC2)CC1 ZINC000847619751 671212482 /nfs/dbraw/zinc/21/24/82/671212482.db2.gz AHPMGFQEKFMVSW-SFHVURJKSA-N 2 1 353.507 0.793 20 0 FCADMP COCCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000849062664 671316581 /nfs/dbraw/zinc/31/65/81/671316581.db2.gz AWNOATPYAKQCMN-UHFFFAOYSA-N 2 1 351.451 0.443 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CS(N)(=O)=O)c1 ZINC000849066990 671316764 /nfs/dbraw/zinc/31/67/64/671316764.db2.gz VNOABWVPLUNAGP-OAHLLOKOSA-N 2 1 353.492 0.573 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]3C2)O1 ZINC001048890424 675906446 /nfs/dbraw/zinc/90/64/46/675906446.db2.gz HGVZCXJNJVWIBK-XLMAVXFVSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]3C2)O1 ZINC001048890424 675906448 /nfs/dbraw/zinc/90/64/48/675906448.db2.gz HGVZCXJNJVWIBK-XLMAVXFVSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]3C2)O1 ZINC001048890424 675906449 /nfs/dbraw/zinc/90/64/49/675906449.db2.gz HGVZCXJNJVWIBK-XLMAVXFVSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]3C2)O1 ZINC001048890424 675906451 /nfs/dbraw/zinc/90/64/51/675906451.db2.gz HGVZCXJNJVWIBK-XLMAVXFVSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891931 675906494 /nfs/dbraw/zinc/90/64/94/675906494.db2.gz WMYFTOGEFYKWJL-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891931 675906495 /nfs/dbraw/zinc/90/64/95/675906495.db2.gz WMYFTOGEFYKWJL-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891931 675906496 /nfs/dbraw/zinc/90/64/96/675906496.db2.gz WMYFTOGEFYKWJL-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]3C2)O1 ZINC001048891931 675906497 /nfs/dbraw/zinc/90/64/97/675906497.db2.gz WMYFTOGEFYKWJL-MDMSPXHWSA-N 2 1 351.491 0.522 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000852746078 671523075 /nfs/dbraw/zinc/52/30/75/671523075.db2.gz DNBQXFBGTPDWGZ-CAOSSQGBSA-N 2 1 352.479 0.735 20 0 FCADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1NC(=O)C(F)(F)F ZINC000853248404 671544874 /nfs/dbraw/zinc/54/48/74/671544874.db2.gz FWTCQKRGRDDFEQ-AGIUHOORSA-N 2 1 364.412 0.573 20 0 FCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1NC(=O)C(F)(F)F ZINC000853248404 671544875 /nfs/dbraw/zinc/54/48/75/671544875.db2.gz FWTCQKRGRDDFEQ-AGIUHOORSA-N 2 1 364.412 0.573 20 0 FCADMP O=C1O[C@]2(CN1CN1CC[NH+]([C@@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000853554701 671549989 /nfs/dbraw/zinc/54/99/89/671549989.db2.gz ZJYWNSFJLWBBME-AEFFLSMTSA-N 2 1 350.463 0.267 20 0 FCADMP C[NH+](C)CC1CN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000854724953 671598556 /nfs/dbraw/zinc/59/85/56/671598556.db2.gz WNBHXIQGBPIITG-UHFFFAOYSA-N 2 1 354.495 0.996 20 0 FCADMP FC(F)(F)Cn1nnnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507053 675935221 /nfs/dbraw/zinc/93/52/21/675935221.db2.gz LJRACGIDEPPBAO-BETUJISGSA-N 2 1 359.400 0.636 20 0 FCADMP O=S1(=O)CCCN1[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756826 675968472 /nfs/dbraw/zinc/96/84/72/675968472.db2.gz WGXCLQSTQXMMDR-JKSUJKDBSA-N 2 1 357.520 0.645 20 0 FCADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724407 675964059 /nfs/dbraw/zinc/96/40/59/675964059.db2.gz NFHIRKRSWJABHM-CVEARBPZSA-N 2 1 359.536 0.939 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729605 675964527 /nfs/dbraw/zinc/96/45/27/675964527.db2.gz PHSGGGWDQPRDBQ-IRXDYDNUSA-N 2 1 351.491 0.858 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578193 676024929 /nfs/dbraw/zinc/02/49/29/676024929.db2.gz HNZYRDWHGSVJGU-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CCCF)CC2)CC[N@H+]1C ZINC001055583524 676025484 /nfs/dbraw/zinc/02/54/84/676025484.db2.gz RCYIQISGUFLVOY-GDBMZVCRSA-N 2 1 356.486 0.773 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055650547 676029745 /nfs/dbraw/zinc/02/97/45/676029745.db2.gz ZRFQDLSNAKWOKT-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297743 672611338 /nfs/dbraw/zinc/61/13/38/672611338.db2.gz UXCYCESWJGWCCL-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CCN(CCS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001000160552 676051650 /nfs/dbraw/zinc/05/16/50/676051650.db2.gz HHZGUGBIIIKLRM-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CCS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001000160552 676051652 /nfs/dbraw/zinc/05/16/52/676051652.db2.gz HHZGUGBIIIKLRM-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CCS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001000160552 676051654 /nfs/dbraw/zinc/05/16/54/676051654.db2.gz HHZGUGBIIIKLRM-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001001426272 676071855 /nfs/dbraw/zinc/07/18/55/676071855.db2.gz VOCXCTQLYCGDTN-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531195 676075479 /nfs/dbraw/zinc/07/54/79/676075479.db2.gz BWKVMPIXEGXAHH-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531195 676075482 /nfs/dbraw/zinc/07/54/82/676075482.db2.gz BWKVMPIXEGXAHH-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001050330098 676081805 /nfs/dbraw/zinc/08/18/05/676081805.db2.gz YTIFGHZXUBWXJP-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC001050524047 676085467 /nfs/dbraw/zinc/08/54/67/676085467.db2.gz RQKSPKKKJWCIJQ-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)on1 ZINC001051623900 676106884 /nfs/dbraw/zinc/10/68/84/676106884.db2.gz KHKYKJALLDROOB-VHDGCEQUSA-N 2 1 352.435 0.340 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)on1 ZINC001051623900 676106885 /nfs/dbraw/zinc/10/68/85/676106885.db2.gz KHKYKJALLDROOB-VHDGCEQUSA-N 2 1 352.435 0.340 20 0 FCADMP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051625002 676107263 /nfs/dbraw/zinc/10/72/63/676107263.db2.gz WXMSRGPTZHQWCD-BPLDGKMQSA-N 2 1 368.503 0.809 20 0 FCADMP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051625002 676107266 /nfs/dbraw/zinc/10/72/66/676107266.db2.gz WXMSRGPTZHQWCD-BPLDGKMQSA-N 2 1 368.503 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001052394608 676122861 /nfs/dbraw/zinc/12/28/61/676122861.db2.gz ZECGYXBDVYOYKX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)CC[NH+]1C ZINC001052394608 676122869 /nfs/dbraw/zinc/12/28/69/676122869.db2.gz ZECGYXBDVYOYKX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)CC[NH+]1C ZINC001052394608 676122874 /nfs/dbraw/zinc/12/28/74/676122874.db2.gz ZECGYXBDVYOYKX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000882329165 673304285 /nfs/dbraw/zinc/30/42/85/673304285.db2.gz AVADSEJQHGMMEI-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000882329165 673304287 /nfs/dbraw/zinc/30/42/87/673304287.db2.gz AVADSEJQHGMMEI-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@H]3CCCS3(=O)=O)cn2)CC1 ZINC000883298779 673370825 /nfs/dbraw/zinc/37/08/25/673370825.db2.gz BYPNDRYEVRCZFH-OAHLLOKOSA-N 2 1 353.492 0.285 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000883436419 673375531 /nfs/dbraw/zinc/37/55/31/673375531.db2.gz SIFXHNHSVQMJPG-QGZVFWFLSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000883538160 673382162 /nfs/dbraw/zinc/38/21/62/673382162.db2.gz NQRLUPMAMRVCIW-USXIJHARSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000883538160 673382163 /nfs/dbraw/zinc/38/21/63/673382163.db2.gz NQRLUPMAMRVCIW-USXIJHARSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000883538158 673382166 /nfs/dbraw/zinc/38/21/66/673382166.db2.gz NQRLUPMAMRVCIW-BHYGNILZSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000883538158 673382167 /nfs/dbraw/zinc/38/21/67/673382167.db2.gz NQRLUPMAMRVCIW-BHYGNILZSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884450241 673454194 /nfs/dbraw/zinc/45/41/94/673454194.db2.gz CBCJXVPIINEKRT-XIRDDKMYSA-N 2 1 367.515 0.633 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CCC(F)(F)F ZINC000884513512 673458772 /nfs/dbraw/zinc/45/87/72/673458772.db2.gz LDKHRCVMMIXBQM-SWLSCSKDSA-N 2 1 364.412 0.445 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CCC(F)(F)F ZINC000884513512 673458773 /nfs/dbraw/zinc/45/87/73/673458773.db2.gz LDKHRCVMMIXBQM-SWLSCSKDSA-N 2 1 364.412 0.445 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884576287 673463164 /nfs/dbraw/zinc/46/31/64/673463164.db2.gz DJBWIUCKSLMORQ-LBPRGKRZSA-N 2 1 365.503 0.335 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884577804 673463684 /nfs/dbraw/zinc/46/36/84/673463684.db2.gz MNXZTTJWUSOUPJ-TWMKSMIVSA-N 2 1 350.507 0.824 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884587533 673464173 /nfs/dbraw/zinc/46/41/73/673464173.db2.gz KYNCYPWPTZKUDF-GOSISDBHSA-N 2 1 354.495 0.063 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884603194 673465025 /nfs/dbraw/zinc/46/50/25/673465025.db2.gz DMXMYCBOHWLJOY-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000884640345 673469049 /nfs/dbraw/zinc/46/90/49/673469049.db2.gz BKXSHDBAXQMRRO-WCQYABFASA-N 2 1 364.412 0.573 20 0 FCADMP CCN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000884661456 673470557 /nfs/dbraw/zinc/47/05/57/673470557.db2.gz RRWKVHWURKLODB-INIZCTEOSA-N 2 1 350.438 0.584 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000884670323 673471282 /nfs/dbraw/zinc/47/12/82/673471282.db2.gz WGQKKYUXSWUVSW-LPWJVIDDSA-N 2 1 362.396 0.325 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@@H]21 ZINC000884708320 673475600 /nfs/dbraw/zinc/47/56/00/673475600.db2.gz UVZKTMGPVSMAKB-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884736857 673478763 /nfs/dbraw/zinc/47/87/63/673478763.db2.gz CGGLBQIPUBSDSJ-CHWSQXEVSA-N 2 1 366.428 0.676 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884736869 673478881 /nfs/dbraw/zinc/47/88/81/673478881.db2.gz CGGLBQIPUBSDSJ-STQMWFEESA-N 2 1 366.428 0.676 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884743188 673479136 /nfs/dbraw/zinc/47/91/36/673479136.db2.gz WVSMVJNEOAIAAP-UHFFFAOYSA-N 2 1 367.519 0.581 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000884775875 673481138 /nfs/dbraw/zinc/48/11/38/673481138.db2.gz KUXJDGUDVYRSEV-BFHYXJOUSA-N 2 1 358.433 0.481 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970482 673494378 /nfs/dbraw/zinc/49/43/78/673494378.db2.gz KDCPOFWCKHDBBG-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000885195753 673507777 /nfs/dbraw/zinc/50/77/77/673507777.db2.gz OQVWZDVNGCYZOB-QLFBSQMISA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000885195753 673507781 /nfs/dbraw/zinc/50/77/81/673507781.db2.gz OQVWZDVNGCYZOB-QLFBSQMISA-N 2 1 354.495 0.330 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885284538 673511968 /nfs/dbraw/zinc/51/19/68/673511968.db2.gz AYZSQMZBLZCPFU-MCIONIFRSA-N 2 1 358.433 0.433 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000886837164 673601705 /nfs/dbraw/zinc/60/17/05/673601705.db2.gz BYLMCNBTNZCOLE-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000886837164 673601707 /nfs/dbraw/zinc/60/17/07/673601707.db2.gz BYLMCNBTNZCOLE-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000886837164 673601708 /nfs/dbraw/zinc/60/17/08/673601708.db2.gz BYLMCNBTNZCOLE-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cn2cc[nH+]c12 ZINC000887034951 673616303 /nfs/dbraw/zinc/61/63/03/673616303.db2.gz CBGCUQMDRQIDFY-NSHDSACASA-N 2 1 351.357 0.942 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000887079069 673620445 /nfs/dbraw/zinc/62/04/45/673620445.db2.gz JJODXJSFRQOBDB-QFBILLFUSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887080805 673620733 /nfs/dbraw/zinc/62/07/33/673620733.db2.gz FYVKGSOCKGELSK-VQIMIIECSA-N 2 1 350.507 0.779 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138271 673707057 /nfs/dbraw/zinc/70/70/57/673707057.db2.gz VOQYKQSPCABCJW-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890143668 673707843 /nfs/dbraw/zinc/70/78/43/673707843.db2.gz XCVAJWQTWLHVET-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890143668 673707845 /nfs/dbraw/zinc/70/78/45/673707845.db2.gz XCVAJWQTWLHVET-QGZVFWFLSA-N 2 1 353.511 0.130 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000926360909 673826770 /nfs/dbraw/zinc/82/67/70/673826770.db2.gz KEPFFHQQLVEGDD-HOTGVXAUSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000926360909 673826772 /nfs/dbraw/zinc/82/67/72/673826772.db2.gz KEPFFHQQLVEGDD-HOTGVXAUSA-N 2 1 354.495 0.143 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccco1 ZINC000929158874 673941164 /nfs/dbraw/zinc/94/11/64/673941164.db2.gz ZHSOPOLJQLEXQU-AWEZNQCLSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)c1ccco1 ZINC000929158874 673941167 /nfs/dbraw/zinc/94/11/67/673941167.db2.gz ZHSOPOLJQLEXQU-AWEZNQCLSA-N 2 1 350.463 0.847 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929285606 673948131 /nfs/dbraw/zinc/94/81/31/673948131.db2.gz BPGVTSHGCJCUHB-KRWDZBQOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929285606 673948134 /nfs/dbraw/zinc/94/81/34/673948134.db2.gz BPGVTSHGCJCUHB-KRWDZBQOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929285607 673948216 /nfs/dbraw/zinc/94/82/16/673948216.db2.gz BPGVTSHGCJCUHB-QGZVFWFLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929285607 673948218 /nfs/dbraw/zinc/94/82/18/673948218.db2.gz BPGVTSHGCJCUHB-QGZVFWFLSA-N 2 1 350.507 0.918 20 0 FCADMP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001020171339 675436466 /nfs/dbraw/zinc/43/64/66/675436466.db2.gz XXTIPJPQNNMVCU-DHGKCCLASA-N 2 1 351.451 0.854 20 0 FCADMP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001020171339 675436467 /nfs/dbraw/zinc/43/64/67/675436467.db2.gz XXTIPJPQNNMVCU-DHGKCCLASA-N 2 1 351.451 0.854 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C(C)C)C3=O)C2)CC[N@H+]1C ZINC001020175490 675436861 /nfs/dbraw/zinc/43/68/61/675436861.db2.gz RPDUTZCDZZZPRW-QUSNUVHPSA-N 2 1 350.507 0.963 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708677 675469126 /nfs/dbraw/zinc/46/91/26/675469126.db2.gz XRVLVVBODZNLMT-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001042750448 675543335 /nfs/dbraw/zinc/54/33/35/675543335.db2.gz ZKLFEVZWDQTJGJ-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](CCCO)C3)C2)O1 ZINC001045947940 675674263 /nfs/dbraw/zinc/67/42/63/675674263.db2.gz QBQODTSLDVEVIG-LMMKCTJWSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](CCCO)C3)C2)O1 ZINC001045947940 675674264 /nfs/dbraw/zinc/67/42/64/675674264.db2.gz QBQODTSLDVEVIG-LMMKCTJWSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@]3(CC[N@H+](CCCO)C3)C2)O1 ZINC001045947940 675674265 /nfs/dbraw/zinc/67/42/65/675674265.db2.gz QBQODTSLDVEVIG-LMMKCTJWSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](CCCO)C3)C2)O1 ZINC001045947940 675674267 /nfs/dbraw/zinc/67/42/67/675674267.db2.gz QBQODTSLDVEVIG-LMMKCTJWSA-N 2 1 353.507 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCOC)C3)CC2)CC[N@H+]1C ZINC001046032461 675680938 /nfs/dbraw/zinc/68/09/38/675680938.db2.gz KGYKJQBCDPEETG-FGTMMUONSA-N 2 1 352.523 0.582 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCOC)C3)CC2)CC[NH+]1C ZINC001046032461 675680941 /nfs/dbraw/zinc/68/09/41/675680941.db2.gz KGYKJQBCDPEETG-FGTMMUONSA-N 2 1 352.523 0.582 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCOC)C3)CC2)CC[NH+]1C ZINC001046032461 675680945 /nfs/dbraw/zinc/68/09/45/675680945.db2.gz KGYKJQBCDPEETG-FGTMMUONSA-N 2 1 352.523 0.582 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038692 675682489 /nfs/dbraw/zinc/68/24/89/675682489.db2.gz NCHKTEYQHYEGKN-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038692 675682490 /nfs/dbraw/zinc/68/24/90/675682490.db2.gz NCHKTEYQHYEGKN-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038692 675682491 /nfs/dbraw/zinc/68/24/91/675682491.db2.gz NCHKTEYQHYEGKN-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038692 675682492 /nfs/dbraw/zinc/68/24/92/675682492.db2.gz NCHKTEYQHYEGKN-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)N1CCCC1 ZINC000900480570 675686625 /nfs/dbraw/zinc/68/66/25/675686625.db2.gz ICIJLZSQGPJTTE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900694252 675708376 /nfs/dbraw/zinc/70/83/76/675708376.db2.gz BZYKSDLRNYHNRF-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047385048 675795771 /nfs/dbraw/zinc/79/57/71/675795771.db2.gz VWNFVQYJMFDMMJ-WCVJEAGWSA-N 2 1 366.531 0.838 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385048 675795773 /nfs/dbraw/zinc/79/57/73/675795773.db2.gz VWNFVQYJMFDMMJ-WCVJEAGWSA-N 2 1 366.531 0.838 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385048 675795775 /nfs/dbraw/zinc/79/57/75/675795775.db2.gz VWNFVQYJMFDMMJ-WCVJEAGWSA-N 2 1 366.531 0.838 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001048526934 675859664 /nfs/dbraw/zinc/85/96/64/675859664.db2.gz HICBVGURHVVOEQ-NQNKBUKLSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001048526934 675859669 /nfs/dbraw/zinc/85/96/69/675859669.db2.gz HICBVGURHVVOEQ-NQNKBUKLSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001048526934 675859672 /nfs/dbraw/zinc/85/96/72/675859672.db2.gz HICBVGURHVVOEQ-NQNKBUKLSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897484447 1192183872 /nfs/dbraw/zinc/18/38/72/1192183872.db2.gz PLSIWTOKVFKJKV-CVEARBPZSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000897484450 1192184616 /nfs/dbraw/zinc/18/46/16/1192184616.db2.gz PLSIWTOKVFKJKV-JKSUJKDBSA-N 2 1 371.485 0.719 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579436 1192193853 /nfs/dbraw/zinc/19/38/53/1192193853.db2.gz GYQNOLFQTCSPJM-FXUDXRNXSA-N 2 1 364.490 0.445 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)C)C1 ZINC001112470416 1167771043 /nfs/dbraw/zinc/77/10/43/1167771043.db2.gz KWNCGXWWCWSAKC-LPHOPBHVSA-N 2 1 361.490 0.934 20 0 FCADMP CCc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001125305484 1168110987 /nfs/dbraw/zinc/11/09/87/1168110987.db2.gz SGAJXIGUYQEOGA-KBRIMQKVSA-N 2 1 363.506 0.943 20 0 FCADMP CCc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001125305484 1168110996 /nfs/dbraw/zinc/11/09/96/1168110996.db2.gz SGAJXIGUYQEOGA-KBRIMQKVSA-N 2 1 363.506 0.943 20 0 FCADMP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614023 1168161870 /nfs/dbraw/zinc/16/18/70/1168161870.db2.gz FXWQGJSLPUNQDF-TVFCKZIOSA-N 2 1 368.485 0.897 20 0 FCADMP Cc1noc(CCC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969957845 1168235545 /nfs/dbraw/zinc/23/55/45/1168235545.db2.gz GCEMHJDVOVZBTE-XJKCOSOUSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1noc(CCC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969957845 1168235552 /nfs/dbraw/zinc/23/55/52/1168235552.db2.gz GCEMHJDVOVZBTE-XJKCOSOUSA-N 2 1 365.478 0.466 20 0 FCADMP COCCN1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194029 1168298690 /nfs/dbraw/zinc/29/86/90/1168298690.db2.gz RYBJBVHBQHYCEH-DLBZAZTESA-N 2 1 364.446 0.442 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N(C)CC(F)(F)F ZINC001691020332 1168409617 /nfs/dbraw/zinc/40/96/17/1168409617.db2.gz SCYIXXQDEUBIGT-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N(C)CC(F)(F)F ZINC001691020332 1168409623 /nfs/dbraw/zinc/40/96/23/1168409623.db2.gz SCYIXXQDEUBIGT-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N(C)CC(F)(F)F ZINC001691020332 1168409628 /nfs/dbraw/zinc/40/96/28/1168409628.db2.gz SCYIXXQDEUBIGT-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N(C)CC(F)(F)F ZINC001691020332 1168409634 /nfs/dbraw/zinc/40/96/34/1168409634.db2.gz SCYIXXQDEUBIGT-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP COC(=O)[C@@H]1COCCC12CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001167163610 1168428552 /nfs/dbraw/zinc/42/85/52/1168428552.db2.gz VMJDQJXNWVIYET-AWEZNQCLSA-N 2 1 361.446 0.420 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cncn2C)O1 ZINC001021298214 1168961463 /nfs/dbraw/zinc/96/14/63/1168961463.db2.gz YLNJEGFPEGJBMX-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cncn2C)O1 ZINC001021298214 1168961488 /nfs/dbraw/zinc/96/14/88/1168961488.db2.gz YLNJEGFPEGJBMX-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncn2C)O1 ZINC001021298214 1168961509 /nfs/dbraw/zinc/96/15/09/1168961509.db2.gz YLNJEGFPEGJBMX-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncn2C)O1 ZINC001021298214 1168961528 /nfs/dbraw/zinc/96/15/28/1168961528.db2.gz YLNJEGFPEGJBMX-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001212026330 1192338380 /nfs/dbraw/zinc/33/83/80/1192338380.db2.gz JWSHZPYVUOEHTK-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212026330 1192338385 /nfs/dbraw/zinc/33/83/85/1192338385.db2.gz JWSHZPYVUOEHTK-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001212026330 1192338398 /nfs/dbraw/zinc/33/83/98/1192338398.db2.gz JWSHZPYVUOEHTK-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212026330 1192338403 /nfs/dbraw/zinc/33/84/03/1192338403.db2.gz JWSHZPYVUOEHTK-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001212026328 1192338700 /nfs/dbraw/zinc/33/87/00/1192338700.db2.gz JWSHZPYVUOEHTK-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212026328 1192338705 /nfs/dbraw/zinc/33/87/05/1192338705.db2.gz JWSHZPYVUOEHTK-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001212026328 1192338714 /nfs/dbraw/zinc/33/87/14/1192338714.db2.gz JWSHZPYVUOEHTK-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212026328 1192338720 /nfs/dbraw/zinc/33/87/20/1192338720.db2.gz JWSHZPYVUOEHTK-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H](C)C(=O)NC ZINC001691042322 1169860894 /nfs/dbraw/zinc/86/08/94/1169860894.db2.gz IPJJNPYFONLCEK-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H](C)C(=O)NC ZINC001691042322 1169860895 /nfs/dbraw/zinc/86/08/95/1169860895.db2.gz IPJJNPYFONLCEK-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@@H](C)C(=O)NC ZINC001691042322 1169860897 /nfs/dbraw/zinc/86/08/97/1169860897.db2.gz IPJJNPYFONLCEK-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H](C)C(=O)NC ZINC001691042322 1169860901 /nfs/dbraw/zinc/86/09/01/1169860901.db2.gz IPJJNPYFONLCEK-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355296 1170369464 /nfs/dbraw/zinc/36/94/64/1170369464.db2.gz WABNTWSJZJUPAL-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022039360 1170462857 /nfs/dbraw/zinc/46/28/57/1170462857.db2.gz RCPPSAUFKKBNNR-DLBZAZTESA-N 2 1 359.474 0.593 20 0 FCADMP CCCCn1nnnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001022109619 1170670667 /nfs/dbraw/zinc/67/06/67/1170670667.db2.gz PUPIVZIIVJQBHN-XUWVNRHRSA-N 2 1 363.510 0.940 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001022109619 1170670674 /nfs/dbraw/zinc/67/06/74/1170670674.db2.gz PUPIVZIIVJQBHN-XUWVNRHRSA-N 2 1 363.510 0.940 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001022109619 1170670679 /nfs/dbraw/zinc/67/06/79/1170670679.db2.gz PUPIVZIIVJQBHN-XUWVNRHRSA-N 2 1 363.510 0.940 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001087166918 1170750621 /nfs/dbraw/zinc/75/06/21/1170750621.db2.gz JUAVLTWYLVXTDD-FHLIZLRMSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001087166919 1170750952 /nfs/dbraw/zinc/75/09/52/1170750952.db2.gz JUAVLTWYLVXTDD-JLSDUUJJSA-N 2 1 360.506 0.874 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4cncn4C)[C@@H]3C2)CC[N@H+]1C ZINC001022213677 1170755435 /nfs/dbraw/zinc/75/54/35/1170755435.db2.gz IAXUXGMNENQRJT-DZJNRPSUSA-N 2 1 373.501 0.752 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781450 1170822826 /nfs/dbraw/zinc/82/28/26/1170822826.db2.gz KNXRTQIIFDVSRP-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781450 1170822828 /nfs/dbraw/zinc/82/28/28/1170822828.db2.gz KNXRTQIIFDVSRP-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781450 1170822829 /nfs/dbraw/zinc/82/28/29/1170822829.db2.gz KNXRTQIIFDVSRP-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781450 1170822830 /nfs/dbraw/zinc/82/28/30/1170822830.db2.gz KNXRTQIIFDVSRP-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001691147028 1170841767 /nfs/dbraw/zinc/84/17/67/1170841767.db2.gz KHVULRHUQXQIOT-KCYZZUKISA-N 2 1 350.507 0.822 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001691314156 1171074559 /nfs/dbraw/zinc/07/45/59/1171074559.db2.gz IFJHPCGBTTXWMQ-IXDOHACOSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001691335286 1171135808 /nfs/dbraw/zinc/13/58/08/1171135808.db2.gz LHEHHMZKEOUDPG-FRRDWIJNSA-N 2 1 364.412 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001691338066 1171144863 /nfs/dbraw/zinc/14/48/63/1171144863.db2.gz TXWKAVLESAEXEL-HUUCEWRRSA-N 2 1 353.467 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001691338066 1171144869 /nfs/dbraw/zinc/14/48/69/1171144869.db2.gz TXWKAVLESAEXEL-HUUCEWRRSA-N 2 1 353.467 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(CC)CC ZINC001691338073 1171145323 /nfs/dbraw/zinc/14/53/23/1171145323.db2.gz UBVDWDBVOBWOQS-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(CC)CC ZINC001691338074 1171145960 /nfs/dbraw/zinc/14/59/60/1171145960.db2.gz UBVDWDBVOBWOQS-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953766 1171219864 /nfs/dbraw/zinc/21/98/64/1171219864.db2.gz AURVWUIRFSTVGG-QXSJWSMHSA-N 2 1 365.478 0.295 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972312813 1171957382 /nfs/dbraw/zinc/95/73/82/1171957382.db2.gz KDIYYVLTPLHBBA-KZNAEPCWSA-N 2 1 371.485 0.593 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248279 1172003102 /nfs/dbraw/zinc/00/31/02/1172003102.db2.gz YQAYLDRXQWDELZ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248279 1172003109 /nfs/dbraw/zinc/00/31/09/1172003109.db2.gz YQAYLDRXQWDELZ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248279 1172003110 /nfs/dbraw/zinc/00/31/10/1172003110.db2.gz YQAYLDRXQWDELZ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@H+]1C ZINC000972415006 1172097318 /nfs/dbraw/zinc/09/73/18/1172097318.db2.gz LXGCREARTVPKQN-QBPKDAKJSA-N 2 1 360.502 0.482 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4cnc[nH]4)C[C@H]32)CC[N@H+]1C ZINC000972424000 1172119457 /nfs/dbraw/zinc/11/94/57/1172119457.db2.gz VVHDXCRPLULGDW-MUIFIZLQSA-N 2 1 359.474 0.742 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088621772 1192695598 /nfs/dbraw/zinc/69/55/98/1192695598.db2.gz SQBUIYCMPAYJHR-ZACQAIPSSA-N 2 1 365.522 0.854 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088621772 1192695603 /nfs/dbraw/zinc/69/56/03/1192695603.db2.gz SQBUIYCMPAYJHR-ZACQAIPSSA-N 2 1 365.522 0.854 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088621772 1192695604 /nfs/dbraw/zinc/69/56/04/1192695604.db2.gz SQBUIYCMPAYJHR-ZACQAIPSSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000897649534 1192840110 /nfs/dbraw/zinc/84/01/10/1192840110.db2.gz TVEQATGXMLQKPS-LSDHHAIUSA-N 2 1 359.474 0.718 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000898005930 1192853507 /nfs/dbraw/zinc/85/35/07/1192853507.db2.gz LOZZMIMBQDOLHY-ARFHVFGLSA-N 2 1 371.485 0.860 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000898010341 1192853643 /nfs/dbraw/zinc/85/36/43/1192853643.db2.gz BZXPTZJBFLCXGD-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000898010341 1192853644 /nfs/dbraw/zinc/85/36/44/1192853644.db2.gz BZXPTZJBFLCXGD-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000898030002 1192855398 /nfs/dbraw/zinc/85/53/98/1192855398.db2.gz KRONQKPVCOIMEQ-HOTGVXAUSA-N 2 1 371.485 0.885 20 0 FCADMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000842035264 1192861330 /nfs/dbraw/zinc/86/13/30/1192861330.db2.gz JVXPUMXEELRGLD-STQMWFEESA-N 2 1 356.430 0.401 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872308 /nfs/dbraw/zinc/87/23/08/1192872308.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 1 362.474 0.989 20 0 FCADMP CCc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872309 /nfs/dbraw/zinc/87/23/09/1192872309.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 1 362.474 0.989 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493468 1179437266 /nfs/dbraw/zinc/43/72/66/1179437266.db2.gz ZFTLOTLUEVJGAF-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC000972607487 1179969642 /nfs/dbraw/zinc/96/96/42/1179969642.db2.gz JNZMRYGAZULRPP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000080152968 1180423169 /nfs/dbraw/zinc/42/31/69/1180423169.db2.gz BESQNXZLCXGPDR-KRWDZBQOSA-N 2 1 369.554 0.670 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001691482895 1180618547 /nfs/dbraw/zinc/61/85/47/1180618547.db2.gz ZJSGOYQWLRSANW-JZXOWHBKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001691482895 1180618578 /nfs/dbraw/zinc/61/85/78/1180618578.db2.gz ZJSGOYQWLRSANW-JZXOWHBKSA-N 2 1 368.522 0.401 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023993806 1180731278 /nfs/dbraw/zinc/73/12/78/1180731278.db2.gz QIHODQAGWGLODR-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCn1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024035725 1180805445 /nfs/dbraw/zinc/80/54/45/1180805445.db2.gz AEXCGFHMZABJCR-BFYDXBDKSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001024035725 1180805446 /nfs/dbraw/zinc/80/54/46/1180805446.db2.gz AEXCGFHMZABJCR-BFYDXBDKSA-N 2 1 364.494 0.345 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024122199 1180852161 /nfs/dbraw/zinc/85/21/61/1180852161.db2.gz QNUWJBOJIFQSES-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001024122199 1180852166 /nfs/dbraw/zinc/85/21/66/1180852166.db2.gz QNUWJBOJIFQSES-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001024122199 1180852167 /nfs/dbraw/zinc/85/21/67/1180852167.db2.gz QNUWJBOJIFQSES-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024155471 1180911641 /nfs/dbraw/zinc/91/16/41/1180911641.db2.gz RLWWAHBVCGLAJV-GVDBMIGSSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)O1 ZINC000947249863 1181563838 /nfs/dbraw/zinc/56/38/38/1181563838.db2.gz MQDHLWMWCYPDDX-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[NH+]3C)CC2)O1 ZINC000947249863 1181563854 /nfs/dbraw/zinc/56/38/54/1181563854.db2.gz MQDHLWMWCYPDDX-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000947249863 1181563874 /nfs/dbraw/zinc/56/38/74/1181563874.db2.gz MQDHLWMWCYPDDX-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)O1 ZINC000947249863 1181563884 /nfs/dbraw/zinc/56/38/84/1181563884.db2.gz MQDHLWMWCYPDDX-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000947251461 1181813418 /nfs/dbraw/zinc/81/34/18/1181813418.db2.gz NMEIKMRQJGRUTF-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000947251461 1181813420 /nfs/dbraw/zinc/81/34/20/1181813420.db2.gz NMEIKMRQJGRUTF-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000947251461 1181813424 /nfs/dbraw/zinc/81/34/24/1181813424.db2.gz NMEIKMRQJGRUTF-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000947251461 1181813433 /nfs/dbraw/zinc/81/34/33/1181813433.db2.gz NMEIKMRQJGRUTF-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1C ZINC001067539286 1181924262 /nfs/dbraw/zinc/92/42/62/1181924262.db2.gz MCQZZPRVSKOWIY-QBPKDAKJSA-N 2 1 368.522 0.353 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1C ZINC001067539286 1181924268 /nfs/dbraw/zinc/92/42/68/1181924268.db2.gz MCQZZPRVSKOWIY-QBPKDAKJSA-N 2 1 368.522 0.353 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1C ZINC001067539286 1181924275 /nfs/dbraw/zinc/92/42/75/1181924275.db2.gz MCQZZPRVSKOWIY-QBPKDAKJSA-N 2 1 368.522 0.353 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1C ZINC001067539286 1181924279 /nfs/dbraw/zinc/92/42/79/1181924279.db2.gz MCQZZPRVSKOWIY-QBPKDAKJSA-N 2 1 368.522 0.353 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1C ZINC000083738096 1181937755 /nfs/dbraw/zinc/93/77/55/1181937755.db2.gz UVIGRLJKKVEKSL-OAHLLOKOSA-N 2 1 363.510 0.408 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1C ZINC000083738096 1181937763 /nfs/dbraw/zinc/93/77/63/1181937763.db2.gz UVIGRLJKKVEKSL-OAHLLOKOSA-N 2 1 363.510 0.408 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000973332283 1182242391 /nfs/dbraw/zinc/24/23/91/1182242391.db2.gz KPRSFXHDYFQBNT-FGTAOJJYSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000973332590 1182243144 /nfs/dbraw/zinc/24/31/44/1182243144.db2.gz PRLIGBDUNQZVFQ-RGCMKSIDSA-N 2 1 363.462 0.453 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000973332590 1182243151 /nfs/dbraw/zinc/24/31/51/1182243151.db2.gz PRLIGBDUNQZVFQ-RGCMKSIDSA-N 2 1 363.462 0.453 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765440 1182485532 /nfs/dbraw/zinc/48/55/32/1182485532.db2.gz CALVRSMGYSFVDK-IRXDYDNUSA-N 2 1 367.538 0.470 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000892920157 1182579494 /nfs/dbraw/zinc/57/94/94/1182579494.db2.gz UBRSXLADIADAAU-SJORKVTESA-N 2 1 365.522 0.807 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789589 1182839559 /nfs/dbraw/zinc/83/95/59/1182839559.db2.gz QAVGFIFALQXXDW-KDGIVYDMSA-N 2 1 365.518 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[N@H+]1C ZINC001025794064 1182845883 /nfs/dbraw/zinc/84/58/83/1182845883.db2.gz RVTYDZPWFXGKLR-IKIFYQGPSA-N 2 1 362.518 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794064 1182845885 /nfs/dbraw/zinc/84/58/85/1182845885.db2.gz RVTYDZPWFXGKLR-IKIFYQGPSA-N 2 1 362.518 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C(C)(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025794064 1182845887 /nfs/dbraw/zinc/84/58/87/1182845887.db2.gz RVTYDZPWFXGKLR-IKIFYQGPSA-N 2 1 362.518 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)CC[N@H+]1C ZINC001025794968 1182847009 /nfs/dbraw/zinc/84/70/09/1182847009.db2.gz HHURMACZLIIXHX-SJUNHDGSSA-N 2 1 361.490 0.021 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC[NH+]1C ZINC001025794968 1182847014 /nfs/dbraw/zinc/84/70/14/1182847014.db2.gz HHURMACZLIIXHX-SJUNHDGSSA-N 2 1 361.490 0.021 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC[NH+]1C ZINC001025794968 1182847015 /nfs/dbraw/zinc/84/70/15/1182847015.db2.gz HHURMACZLIIXHX-SJUNHDGSSA-N 2 1 361.490 0.021 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818268 1182859270 /nfs/dbraw/zinc/85/92/70/1182859270.db2.gz MQUMACDOWNCHKJ-FSPSIFDESA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818268 1182859274 /nfs/dbraw/zinc/85/92/74/1182859274.db2.gz MQUMACDOWNCHKJ-FSPSIFDESA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818268 1182859276 /nfs/dbraw/zinc/85/92/76/1182859276.db2.gz MQUMACDOWNCHKJ-FSPSIFDESA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818268 1182859278 /nfs/dbraw/zinc/85/92/78/1182859278.db2.gz MQUMACDOWNCHKJ-FSPSIFDESA-N 2 1 365.518 0.693 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)C4CCCCC4)C[C@H]32)O1 ZINC001025818268 1182859281 /nfs/dbraw/zinc/85/92/81/1182859281.db2.gz MQUMACDOWNCHKJ-FSPSIFDESA-N 2 1 365.518 0.693 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974130112 1183011824 /nfs/dbraw/zinc/01/18/24/1183011824.db2.gz TWBHWRYWHWEDKU-NQNKBUKLSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974130112 1183011830 /nfs/dbraw/zinc/01/18/30/1183011830.db2.gz TWBHWRYWHWEDKU-NQNKBUKLSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974130112 1183011836 /nfs/dbraw/zinc/01/18/36/1183011836.db2.gz TWBHWRYWHWEDKU-NQNKBUKLSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974130112 1183011839 /nfs/dbraw/zinc/01/18/39/1183011839.db2.gz TWBHWRYWHWEDKU-NQNKBUKLSA-N 2 1 366.506 0.342 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104958432 1183022801 /nfs/dbraw/zinc/02/28/01/1183022801.db2.gz VDKVHSKHNRLNMS-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000974187442 1183035187 /nfs/dbraw/zinc/03/51/87/1183035187.db2.gz PRLIGBDUNQZVFQ-GUIRCDHDSA-N 2 1 363.462 0.453 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000974187442 1183035195 /nfs/dbraw/zinc/03/51/95/1183035195.db2.gz PRLIGBDUNQZVFQ-GUIRCDHDSA-N 2 1 363.462 0.453 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000974186349 1183040918 /nfs/dbraw/zinc/04/09/18/1183040918.db2.gz KPRSFXHDYFQBNT-SOVHRIKKSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001105007918 1183065352 /nfs/dbraw/zinc/06/53/52/1183065352.db2.gz IIPARUWUYUCXSA-KFWWJZLASA-N 2 1 361.494 0.534 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974443073 1183212289 /nfs/dbraw/zinc/21/22/89/1183212289.db2.gz GLKOKTRWESPOPN-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974443073 1183212292 /nfs/dbraw/zinc/21/22/92/1183212292.db2.gz GLKOKTRWESPOPN-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974468388 1183225769 /nfs/dbraw/zinc/22/57/69/1183225769.db2.gz MQOADZWLZAMARE-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCN3C(=O)CCC3=O)CC2(C)C)CC[N@H+]1C ZINC000974587311 1183366328 /nfs/dbraw/zinc/36/63/28/1183366328.db2.gz JQOHDTUHDIXJIE-KFWWJZLASA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001026851313 1183411684 /nfs/dbraw/zinc/41/16/84/1183411684.db2.gz CCLYDONVMPUGJF-HZSPNIEDSA-N 2 1 370.448 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001026853432 1183423351 /nfs/dbraw/zinc/42/33/51/1183423351.db2.gz HADAZYIZMYRUPG-HRCADAONSA-N 2 1 363.510 0.922 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001691777834 1183426862 /nfs/dbraw/zinc/42/68/62/1183426862.db2.gz XMWFWKPSQRKAMV-MDZRGWNJSA-N 2 1 366.506 0.014 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211660212 1183554805 /nfs/dbraw/zinc/55/48/05/1183554805.db2.gz ZEAVTERRXIWPBZ-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC000975214432 1183777777 /nfs/dbraw/zinc/77/77/77/1183777777.db2.gz ASUIORBNZYUVRJ-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)C1 ZINC000975214432 1183777779 /nfs/dbraw/zinc/77/77/79/1183777779.db2.gz ASUIORBNZYUVRJ-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)C1 ZINC000975214432 1183777781 /nfs/dbraw/zinc/77/77/81/1183777781.db2.gz ASUIORBNZYUVRJ-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC000975718533 1185637290 /nfs/dbraw/zinc/63/72/90/1185637290.db2.gz IZEZMZZQJSENMA-BBWFWOEESA-N 2 1 360.502 0.483 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027965794 1186241406 /nfs/dbraw/zinc/24/14/06/1186241406.db2.gz GEBJMCMDOUWMPU-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027965794 1186241408 /nfs/dbraw/zinc/24/14/08/1186241408.db2.gz GEBJMCMDOUWMPU-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965794 1186241413 /nfs/dbraw/zinc/24/14/13/1186241413.db2.gz GEBJMCMDOUWMPU-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965794 1186241418 /nfs/dbraw/zinc/24/14/18/1186241418.db2.gz GEBJMCMDOUWMPU-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981769744 1186520190 /nfs/dbraw/zinc/52/01/90/1186520190.db2.gz IBEUFKUBEXXPFF-GVDBMIGSSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001211702990 1186597849 /nfs/dbraw/zinc/59/78/49/1186597849.db2.gz ORURSRCISWBEND-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001211702990 1186597852 /nfs/dbraw/zinc/59/78/52/1186597852.db2.gz ORURSRCISWBEND-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619715 1186716402 /nfs/dbraw/zinc/71/64/02/1186716402.db2.gz MHLSUBMKBPSPBV-NUEKZKHPSA-N 2 1 370.457 0.150 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619715 1186716414 /nfs/dbraw/zinc/71/64/14/1186716414.db2.gz MHLSUBMKBPSPBV-NUEKZKHPSA-N 2 1 370.457 0.150 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619715 1186716426 /nfs/dbraw/zinc/71/64/26/1186716426.db2.gz MHLSUBMKBPSPBV-NUEKZKHPSA-N 2 1 370.457 0.150 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075619715 1186716510 /nfs/dbraw/zinc/71/65/10/1186716510.db2.gz MHLSUBMKBPSPBV-NUEKZKHPSA-N 2 1 370.457 0.150 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720846 1187465893 /nfs/dbraw/zinc/46/58/93/1187465893.db2.gz QXHLLGFREHCGAD-OKZBNKHCSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720845 1187465970 /nfs/dbraw/zinc/46/59/70/1187465970.db2.gz QXHLLGFREHCGAD-FGTMMUONSA-N 2 1 358.486 0.611 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cn1 ZINC000893871304 1187520029 /nfs/dbraw/zinc/52/00/29/1187520029.db2.gz JJKVTRLNZOXNGK-JKSUJKDBSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)nc1 ZINC000893871304 1187520032 /nfs/dbraw/zinc/52/00/32/1187520032.db2.gz JJKVTRLNZOXNGK-JKSUJKDBSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)nc1 ZINC000893871304 1187520036 /nfs/dbraw/zinc/52/00/36/1187520036.db2.gz JJKVTRLNZOXNGK-JKSUJKDBSA-N 2 1 359.474 0.730 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000549787336 1187525649 /nfs/dbraw/zinc/52/56/49/1187525649.db2.gz WOGOZZTWKUJVEU-IKGGRYGDSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC000549832591 1187533649 /nfs/dbraw/zinc/53/36/49/1187533649.db2.gz KTLUIDKELZWZIT-KRWDZBQOSA-N 2 1 364.494 0.396 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC000549832591 1187533651 /nfs/dbraw/zinc/53/36/51/1187533651.db2.gz KTLUIDKELZWZIT-KRWDZBQOSA-N 2 1 364.494 0.396 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CCOCC1 ZINC000549881987 1187574192 /nfs/dbraw/zinc/57/41/92/1187574192.db2.gz FXYBVVUOCOFHRJ-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881987 1187574200 /nfs/dbraw/zinc/57/42/00/1187574200.db2.gz FXYBVVUOCOFHRJ-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881987 1187574208 /nfs/dbraw/zinc/57/42/08/1187574208.db2.gz FXYBVVUOCOFHRJ-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001028550908 1187602812 /nfs/dbraw/zinc/60/28/12/1187602812.db2.gz URJRZAZKGNUVNJ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001028550908 1187602818 /nfs/dbraw/zinc/60/28/18/1187602818.db2.gz URJRZAZKGNUVNJ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001028550908 1187602821 /nfs/dbraw/zinc/60/28/21/1187602821.db2.gz URJRZAZKGNUVNJ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CCCn1nnnc1CN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552024 1187604283 /nfs/dbraw/zinc/60/42/83/1187604283.db2.gz DNRXMXHXOBEMMO-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627401 1187756437 /nfs/dbraw/zinc/75/64/37/1187756437.db2.gz CUASHMKSCCWCBM-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627401 1187756441 /nfs/dbraw/zinc/75/64/41/1187756441.db2.gz CUASHMKSCCWCBM-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627401 1187756446 /nfs/dbraw/zinc/75/64/46/1187756446.db2.gz CUASHMKSCCWCBM-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627401 1187756450 /nfs/dbraw/zinc/75/64/50/1187756450.db2.gz CUASHMKSCCWCBM-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628543 1187757912 /nfs/dbraw/zinc/75/79/12/1187757912.db2.gz URHQSGPIBZQFMT-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628543 1187757920 /nfs/dbraw/zinc/75/79/20/1187757920.db2.gz URHQSGPIBZQFMT-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628543 1187757930 /nfs/dbraw/zinc/75/79/30/1187757930.db2.gz URHQSGPIBZQFMT-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628543 1187757936 /nfs/dbraw/zinc/75/79/36/1187757936.db2.gz URHQSGPIBZQFMT-FRFSOERESA-N 2 1 364.494 0.264 20 0 FCADMP COc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629247 1187759129 /nfs/dbraw/zinc/75/91/29/1187759129.db2.gz HXFJIRIXAXEBIK-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629247 1187759133 /nfs/dbraw/zinc/75/91/33/1187759133.db2.gz HXFJIRIXAXEBIK-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629247 1187759135 /nfs/dbraw/zinc/75/91/35/1187759135.db2.gz HXFJIRIXAXEBIK-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629247 1187759138 /nfs/dbraw/zinc/75/91/38/1187759138.db2.gz HXFJIRIXAXEBIK-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000982929331 1187800236 /nfs/dbraw/zinc/80/02/36/1187800236.db2.gz AVJRNDQYVSIJGP-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]([NH2+]Cc1cn(C)nn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111799 1188292930 /nfs/dbraw/zinc/29/29/30/1188292930.db2.gz OPPYUVQVRAXESB-CKEIUWERSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]([NH2+]Cc1cn(C)nn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111799 1188292933 /nfs/dbraw/zinc/29/29/33/1188292933.db2.gz OPPYUVQVRAXESB-CKEIUWERSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111597 1188293538 /nfs/dbraw/zinc/29/35/38/1188293538.db2.gz KYCFIHDFPHXAHB-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111597 1188293540 /nfs/dbraw/zinc/29/35/40/1188293540.db2.gz KYCFIHDFPHXAHB-IIDMSEBBSA-N 2 1 363.506 0.856 20 0 FCADMP CNC(=O)CN1CCO[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167988646 1188320797 /nfs/dbraw/zinc/32/07/97/1188320797.db2.gz LQAHNLWIRJPIAC-VEHMJYNQSA-N 2 1 362.518 0.523 20 0 FCADMP CNC(=O)CN1CCO[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001167988646 1188320800 /nfs/dbraw/zinc/32/08/00/1188320800.db2.gz LQAHNLWIRJPIAC-VEHMJYNQSA-N 2 1 362.518 0.523 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550383830 1188344266 /nfs/dbraw/zinc/34/42/66/1188344266.db2.gz VFQZMNXINUEFOG-QGZVFWFLSA-N 2 1 369.554 0.175 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000550381817 1188344606 /nfs/dbraw/zinc/34/46/06/1188344606.db2.gz IFYDRXLZHACLFR-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000984011350 1189370426 /nfs/dbraw/zinc/37/04/26/1189370426.db2.gz CDFCFBIDDJCNKR-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000984011350 1189370432 /nfs/dbraw/zinc/37/04/32/1189370432.db2.gz CDFCFBIDDJCNKR-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808776 1189461837 /nfs/dbraw/zinc/46/18/37/1189461837.db2.gz BBOHDDVDUXXUGD-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808776 1189461841 /nfs/dbraw/zinc/46/18/41/1189461841.db2.gz BBOHDDVDUXXUGD-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808776 1189461849 /nfs/dbraw/zinc/46/18/49/1189461849.db2.gz BBOHDDVDUXXUGD-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808776 1189461861 /nfs/dbraw/zinc/46/18/61/1189461861.db2.gz BBOHDDVDUXXUGD-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1nccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075812151 1189588715 /nfs/dbraw/zinc/58/87/15/1189588715.db2.gz XOIHJNCSJQTZSH-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075812151 1189588726 /nfs/dbraw/zinc/58/87/26/1189588726.db2.gz XOIHJNCSJQTZSH-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075812151 1189588739 /nfs/dbraw/zinc/58/87/39/1189588739.db2.gz XOIHJNCSJQTZSH-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075812151 1189588747 /nfs/dbraw/zinc/58/87/47/1189588747.db2.gz XOIHJNCSJQTZSH-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075812151 1189588752 /nfs/dbraw/zinc/58/87/52/1189588752.db2.gz XOIHJNCSJQTZSH-YALNPMBYSA-N 2 1 359.474 0.858 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984218400 1189598440 /nfs/dbraw/zinc/59/84/40/1189598440.db2.gz DFNBMXKMTUCFDY-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984218400 1189598451 /nfs/dbraw/zinc/59/84/51/1189598451.db2.gz DFNBMXKMTUCFDY-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCN1CCCC1=O ZINC001087574708 1189615144 /nfs/dbraw/zinc/61/51/44/1189615144.db2.gz UEEXFGNJKIVLAH-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CCn1cccn1 ZINC001087700241 1189774265 /nfs/dbraw/zinc/77/42/65/1189774265.db2.gz GFJRGHWYOJVZSD-KSZLIROESA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CCn1cccn1 ZINC001087700241 1189774290 /nfs/dbraw/zinc/77/42/90/1189774290.db2.gz GFJRGHWYOJVZSD-KSZLIROESA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CCn1cccn1 ZINC001087700241 1189774299 /nfs/dbraw/zinc/77/42/99/1189774299.db2.gz GFJRGHWYOJVZSD-KSZLIROESA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CCn1cccn1 ZINC001087700241 1189774310 /nfs/dbraw/zinc/77/43/10/1189774310.db2.gz GFJRGHWYOJVZSD-KSZLIROESA-N 2 1 363.506 0.961 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087726170 1189804431 /nfs/dbraw/zinc/80/44/31/1189804431.db2.gz ULJXMGVIWROBBI-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087726170 1189804432 /nfs/dbraw/zinc/80/44/32/1189804432.db2.gz ULJXMGVIWROBBI-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087726170 1189804434 /nfs/dbraw/zinc/80/44/34/1189804434.db2.gz ULJXMGVIWROBBI-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001271138878 1189807320 /nfs/dbraw/zinc/80/73/20/1189807320.db2.gz HVUPIMWJZLMYNS-QFBILLFUSA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000550517690 1189809745 /nfs/dbraw/zinc/80/97/45/1189809745.db2.gz IISIAAYOLMHAJH-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000550517690 1189809746 /nfs/dbraw/zinc/80/97/46/1189809746.db2.gz IISIAAYOLMHAJH-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144045 1189815001 /nfs/dbraw/zinc/81/50/01/1189815001.db2.gz RNYDEQZDBHZUDC-QFBILLFUSA-N 2 1 359.474 0.855 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001271144045 1189815005 /nfs/dbraw/zinc/81/50/05/1189815005.db2.gz RNYDEQZDBHZUDC-QFBILLFUSA-N 2 1 359.474 0.855 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cn5c(n4)CCCC5)[C@@H]3C2)C1=O ZINC001075819013 1189818334 /nfs/dbraw/zinc/81/83/34/1189818334.db2.gz SFNUXSXTILRAMQ-USXIJHARSA-N 2 1 371.485 0.525 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984344680 1189819983 /nfs/dbraw/zinc/81/99/83/1189819983.db2.gz JVKAUTAYFKOTMU-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC000984344680 1189819986 /nfs/dbraw/zinc/81/99/86/1189819986.db2.gz JVKAUTAYFKOTMU-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001087799179 1189828457 /nfs/dbraw/zinc/82/84/57/1189828457.db2.gz HGYCZJOLPJOAJJ-IXDOHACOSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895629089 1189870151 /nfs/dbraw/zinc/87/01/51/1189870151.db2.gz LYHNPQDAIZVBMU-IEBWSBKVSA-N 2 1 358.486 0.912 20 0 FCADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972994 1190033428 /nfs/dbraw/zinc/03/34/28/1190033428.db2.gz FOPHKJCFXLHGMP-VKJFTORMSA-N 2 1 361.490 0.953 20 0 FCADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972994 1190033433 /nfs/dbraw/zinc/03/34/33/1190033433.db2.gz FOPHKJCFXLHGMP-VKJFTORMSA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972994 1190033440 /nfs/dbraw/zinc/03/34/40/1190033440.db2.gz FOPHKJCFXLHGMP-VKJFTORMSA-N 2 1 361.490 0.953 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)n[nH]1 ZINC001087972994 1190033445 /nfs/dbraw/zinc/03/34/45/1190033445.db2.gz FOPHKJCFXLHGMP-VKJFTORMSA-N 2 1 361.490 0.953 20 0 FCADMP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896468694 1190064532 /nfs/dbraw/zinc/06/45/32/1190064532.db2.gz BZGVBLBEBHDYAR-SFHVURJKSA-N 2 1 369.554 0.860 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993197 1190144255 /nfs/dbraw/zinc/14/42/55/1190144255.db2.gz DUOKUZNZDDVOCN-ZIFCJYIRSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088002411 1190181677 /nfs/dbraw/zinc/18/16/77/1190181677.db2.gz DKADWGKKTLSHFT-GJYPPUQNSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088002627 1190184072 /nfs/dbraw/zinc/18/40/72/1190184072.db2.gz NJXGDLKJMVADJB-IKGGRYGDSA-N 2 1 365.522 0.378 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CCN1CCOCC1 ZINC000984895167 1190224089 /nfs/dbraw/zinc/22/40/89/1190224089.db2.gz JRGNFKMCTUSOQQ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984895167 1190224104 /nfs/dbraw/zinc/22/41/04/1190224104.db2.gz JRGNFKMCTUSOQQ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984895167 1190224114 /nfs/dbraw/zinc/22/41/14/1190224114.db2.gz JRGNFKMCTUSOQQ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cncc4C3)C[C@@H]2C1 ZINC001088017270 1190226199 /nfs/dbraw/zinc/22/61/99/1190226199.db2.gz STUOYCGWRRCNAE-XHSDSOJGSA-N 2 1 369.473 0.555 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1)N1CCC1 ZINC001088026289 1190260302 /nfs/dbraw/zinc/26/03/02/1190260302.db2.gz BAOGLWPUHCJDTC-SJORKVTESA-N 2 1 360.502 0.627 20 0 FCADMP O=C(N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026400 1190262264 /nfs/dbraw/zinc/26/22/64/1190262264.db2.gz HZSGBILLYWOAAD-IXDOHACOSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088028056 1190267230 /nfs/dbraw/zinc/26/72/30/1190267230.db2.gz SEKRYRWSBPUOCL-VYDXJSESSA-N 2 1 353.426 0.617 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041809 1190299472 /nfs/dbraw/zinc/29/94/72/1190299472.db2.gz KPQLWNBYBQOBEG-KMFMINBZSA-N 2 1 355.442 0.992 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088064593 1190343913 /nfs/dbraw/zinc/34/39/13/1190343913.db2.gz MAEBXMVPQUAPQL-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088130567 1190632474 /nfs/dbraw/zinc/63/24/74/1190632474.db2.gz VAKXBIUIECLKAO-SQNIBIBYSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1c[nH+]cc1-n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001168055494 1190649963 /nfs/dbraw/zinc/64/99/63/1190649963.db2.gz WOVPTCYEOYDRGL-UHFFFAOYSA-N 2 1 350.386 0.999 20 0 FCADMP COC[C@H](C(=O)OC)N1CCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276755980 1224107664 /nfs/dbraw/zinc/10/76/64/1224107664.db2.gz DGWFJNHWFMXDBH-MRXNPFEDSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](NC(=O)[C@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2)C(=O)OC ZINC001276756094 1224107755 /nfs/dbraw/zinc/10/77/55/1224107755.db2.gz HWLXWIHEJXMDGN-CVEARBPZSA-N 2 1 367.490 0.487 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059689269 1190881758 /nfs/dbraw/zinc/88/17/58/1190881758.db2.gz QZHCJZPANLRFSQ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059689269 1190881760 /nfs/dbraw/zinc/88/17/60/1190881760.db2.gz QZHCJZPANLRFSQ-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986193481 1190918624 /nfs/dbraw/zinc/91/86/24/1190918624.db2.gz BDRNZLVHJBHIOZ-NRSFXHEJSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986193481 1190918626 /nfs/dbraw/zinc/91/86/26/1190918626.db2.gz BDRNZLVHJBHIOZ-NRSFXHEJSA-N 2 1 373.501 0.839 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1 ZINC000986337228 1190952318 /nfs/dbraw/zinc/95/23/18/1190952318.db2.gz DMTBIEDNIWMPDC-KURKYZTESA-N 2 1 362.518 0.587 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1 ZINC000986682798 1191086104 /nfs/dbraw/zinc/08/61/04/1191086104.db2.gz IGGMRZLHRBOFHS-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059790061 1191128383 /nfs/dbraw/zinc/12/83/83/1191128383.db2.gz ITNXWCUGBJVGED-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059790061 1191128384 /nfs/dbraw/zinc/12/83/84/1191128384.db2.gz ITNXWCUGBJVGED-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059790061 1191128385 /nfs/dbraw/zinc/12/83/85/1191128385.db2.gz ITNXWCUGBJVGED-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059790061 1191128386 /nfs/dbraw/zinc/12/83/86/1191128386.db2.gz ITNXWCUGBJVGED-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)Cn3ccnc3)C2)CC[N@H+]1C ZINC001059867223 1191175967 /nfs/dbraw/zinc/17/59/67/1191175967.db2.gz KVCOKVLQZFSQPZ-IXDOHACOSA-N 2 1 361.490 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC[N@H+]1C ZINC000988388213 1191205637 /nfs/dbraw/zinc/20/56/37/1191205637.db2.gz MNJWXAPTPGCAKT-BHYGNILZSA-N 2 1 361.490 0.989 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cncc4C3)[C@H]2C1 ZINC001218181623 1224146155 /nfs/dbraw/zinc/14/61/55/1224146155.db2.gz WHVRAADPMUYSMX-BPQIPLTHSA-N 2 1 362.474 0.784 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)CCCC1 ZINC001218363137 1224156090 /nfs/dbraw/zinc/15/60/90/1224156090.db2.gz JFVCFBXEEMNWAY-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+](C)C1(CC(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)CCCC1 ZINC001218363137 1224156091 /nfs/dbraw/zinc/15/60/91/1224156091.db2.gz JFVCFBXEEMNWAY-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000550664703 1193729463 /nfs/dbraw/zinc/72/94/63/1193729463.db2.gz VYQINTDJBZCDPY-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000550664703 1193729468 /nfs/dbraw/zinc/72/94/68/1193729468.db2.gz VYQINTDJBZCDPY-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664703 1193729470 /nfs/dbraw/zinc/72/94/70/1193729470.db2.gz VYQINTDJBZCDPY-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000550664703 1193729474 /nfs/dbraw/zinc/72/94/74/1193729474.db2.gz VYQINTDJBZCDPY-CRAIPNDOSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088693328 1193739245 /nfs/dbraw/zinc/73/92/45/1193739245.db2.gz VKVBKTIHRSECOO-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088693328 1193739248 /nfs/dbraw/zinc/73/92/48/1193739248.db2.gz VKVBKTIHRSECOO-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)Nc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000550744145 1193758302 /nfs/dbraw/zinc/75/83/02/1193758302.db2.gz RQQXYRYDMFDHQB-MRXNPFEDSA-N 2 1 371.489 0.048 20 0 FCADMP CC(C)Nc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000550744145 1193758304 /nfs/dbraw/zinc/75/83/04/1193758304.db2.gz RQQXYRYDMFDHQB-MRXNPFEDSA-N 2 1 371.489 0.048 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523091 1224166766 /nfs/dbraw/zinc/16/67/66/1224166766.db2.gz HKFZPSWEQALKPJ-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523091 1224166772 /nfs/dbraw/zinc/16/67/72/1224166772.db2.gz HKFZPSWEQALKPJ-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523091 1224166778 /nfs/dbraw/zinc/16/67/78/1224166778.db2.gz HKFZPSWEQALKPJ-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP CCOCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523091 1224166781 /nfs/dbraw/zinc/16/67/81/1224166781.db2.gz HKFZPSWEQALKPJ-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+]1CCOCC1 ZINC000550907590 1193818140 /nfs/dbraw/zinc/81/81/40/1193818140.db2.gz RWCVXFLVMXGYND-OAHLLOKOSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466386 1193818896 /nfs/dbraw/zinc/81/88/96/1193818896.db2.gz RPLPMJCSVQQBCK-OLMNPRSZSA-N 2 1 371.441 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466386 1193818897 /nfs/dbraw/zinc/81/88/97/1193818897.db2.gz RPLPMJCSVQQBCK-OLMNPRSZSA-N 2 1 371.441 0.226 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(n1)OCCO2 ZINC001276789413 1224172586 /nfs/dbraw/zinc/17/25/86/1224172586.db2.gz RIMRJRQBNKJJKO-HZPDHXFCSA-N 2 1 360.458 0.980 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2c(n1)OCCO2 ZINC001276789413 1224172588 /nfs/dbraw/zinc/17/25/88/1224172588.db2.gz RIMRJRQBNKJJKO-HZPDHXFCSA-N 2 1 360.458 0.980 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557714 1224173196 /nfs/dbraw/zinc/17/31/96/1224173196.db2.gz IFNXIKCFFPRSRP-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnon1)C2 ZINC001105660304 1193862937 /nfs/dbraw/zinc/86/29/37/1193862937.db2.gz STXZPKKSPUUXQN-XYVMCAHJSA-N 2 1 365.478 0.487 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694704 1193867288 /nfs/dbraw/zinc/86/72/88/1193867288.db2.gz WMHSNIUZNGZOJI-DLBZAZTESA-N 3 1 369.554 0.175 20 0 FCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000551844466 1193873266 /nfs/dbraw/zinc/87/32/66/1193873266.db2.gz VCLUARJYEFJUEL-GOSISDBHSA-N 2 1 372.513 0.972 20 0 FCADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757202 1193891721 /nfs/dbraw/zinc/89/17/21/1193891721.db2.gz NHSQEDVIDGXSEB-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757202 1193891722 /nfs/dbraw/zinc/89/17/22/1193891722.db2.gz NHSQEDVIDGXSEB-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757202 1193891724 /nfs/dbraw/zinc/89/17/24/1193891724.db2.gz NHSQEDVIDGXSEB-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)o1 ZINC001088757202 1193891727 /nfs/dbraw/zinc/89/17/27/1193891727.db2.gz NHSQEDVIDGXSEB-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000552537686 1193937506 /nfs/dbraw/zinc/93/75/06/1193937506.db2.gz MNITYONTUUWGLJ-MRXNPFEDSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537441 1193937766 /nfs/dbraw/zinc/93/77/66/1193937766.db2.gz BMKBTBMTYBYNEG-JKSUJKDBSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537441 1193937768 /nfs/dbraw/zinc/93/77/68/1193937768.db2.gz BMKBTBMTYBYNEG-JKSUJKDBSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000552539061 1193938378 /nfs/dbraw/zinc/93/83/78/1193938378.db2.gz WLOVDJGOFIMMHI-DLBZAZTESA-N 2 1 368.522 0.309 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552750411 1193950133 /nfs/dbraw/zinc/95/01/33/1193950133.db2.gz XHFSBEGBOOSXAO-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000552884847 1193956679 /nfs/dbraw/zinc/95/66/79/1193956679.db2.gz NQCLIPLSDQWGKV-SJORKVTESA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552884847 1193956681 /nfs/dbraw/zinc/95/66/81/1193956681.db2.gz NQCLIPLSDQWGKV-SJORKVTESA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552884847 1193956682 /nfs/dbraw/zinc/95/66/82/1193956682.db2.gz NQCLIPLSDQWGKV-SJORKVTESA-N 2 1 368.522 0.165 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@@H]21 ZINC001218600476 1224180203 /nfs/dbraw/zinc/18/02/03/1224180203.db2.gz JZSHXXLMWIEMJZ-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@@H]21 ZINC001218600476 1224180211 /nfs/dbraw/zinc/18/02/11/1224180211.db2.gz JZSHXXLMWIEMJZ-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)Nc1nc(N2CCC([NH+]3CCCCC3)CC2)nc(NCCO)[nH+]1 ZINC000552966170 1193962081 /nfs/dbraw/zinc/96/20/81/1193962081.db2.gz MKNSQZNQQSPQEI-UHFFFAOYSA-N 2 1 363.510 0.395 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000553094138 1193971608 /nfs/dbraw/zinc/97/16/08/1193971608.db2.gz VBJMKWNCJMVABL-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)Nc1nc(N2CC[NH+](C3CCCCC3)CC2)nc(NCCO)[nH+]1 ZINC000553148816 1193975446 /nfs/dbraw/zinc/97/54/46/1193975446.db2.gz FBONVGBTJSTWKC-UHFFFAOYSA-N 2 1 363.510 0.395 20 0 FCADMP COc1cnc(NCC2=CC[N@@H+](C)CC2)nc1NCC1=CC[NH+](C)CC1 ZINC000553516457 1194004335 /nfs/dbraw/zinc/00/43/35/1194004335.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 2 1 358.490 0.677 20 0 FCADMP COc1cnc(NCC2=CC[NH+](C)CC2)nc1NCC1=CC[N@H+](C)CC1 ZINC000553516457 1194004339 /nfs/dbraw/zinc/00/43/39/1194004339.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 3 1 358.490 0.677 20 0 FCADMP COc1cnc(NCC2=CC[NH+](C)CC2)nc1NCC1=CC[N@@H+](C)CC1 ZINC000553516457 1194004344 /nfs/dbraw/zinc/00/43/44/1194004344.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 3 1 358.490 0.677 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000553686951 1194014983 /nfs/dbraw/zinc/01/49/83/1194014983.db2.gz MYEZYKGZIZWBQB-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000553686951 1194014988 /nfs/dbraw/zinc/01/49/88/1194014988.db2.gz MYEZYKGZIZWBQB-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000553686951 1194014992 /nfs/dbraw/zinc/01/49/92/1194014992.db2.gz MYEZYKGZIZWBQB-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000553686951 1194014997 /nfs/dbraw/zinc/01/49/97/1194014997.db2.gz MYEZYKGZIZWBQB-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506101 1194054997 /nfs/dbraw/zinc/05/49/97/1194054997.db2.gz PZFASMQVJBZMIZ-SQNIBIBYSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506101 1194055006 /nfs/dbraw/zinc/05/50/06/1194055006.db2.gz PZFASMQVJBZMIZ-SQNIBIBYSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506101 1194055010 /nfs/dbraw/zinc/05/50/10/1194055010.db2.gz PZFASMQVJBZMIZ-SQNIBIBYSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001083506101 1194055018 /nfs/dbraw/zinc/05/50/18/1194055018.db2.gz PZFASMQVJBZMIZ-SQNIBIBYSA-N 2 1 363.506 0.536 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188409 1194085050 /nfs/dbraw/zinc/08/50/50/1194085050.db2.gz FOLQBLSYJJKGOX-JXFKEZNVSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191463 1194086114 /nfs/dbraw/zinc/08/61/14/1194086114.db2.gz XVKNSSOBQVDQPV-YLJYHZDGSA-N 2 1 358.486 0.822 20 0 FCADMP Cc1nccnc1CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518681 1194122509 /nfs/dbraw/zinc/12/25/09/1194122509.db2.gz LJGUKEUNNWUASR-JQHSSLGASA-N 2 1 361.490 0.424 20 0 FCADMP Cc1noc(C[C@H]2CCC[N@@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247748 1194126345 /nfs/dbraw/zinc/12/63/45/1194126345.db2.gz RGBAOYFZALTZMM-HUUCEWRRSA-N 2 1 363.462 0.712 20 0 FCADMP Cc1noc(C[C@H]2CCC[N@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247748 1194126350 /nfs/dbraw/zinc/12/63/50/1194126350.db2.gz RGBAOYFZALTZMM-HUUCEWRRSA-N 2 1 363.462 0.712 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521945 1194135165 /nfs/dbraw/zinc/13/51/65/1194135165.db2.gz NBPNOEBZYRCDBO-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521945 1194135170 /nfs/dbraw/zinc/13/51/70/1194135170.db2.gz NBPNOEBZYRCDBO-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521945 1194135176 /nfs/dbraw/zinc/13/51/76/1194135176.db2.gz NBPNOEBZYRCDBO-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522823 1194143703 /nfs/dbraw/zinc/14/37/03/1194143703.db2.gz ZCDZLSKZKNYXIR-IKGGRYGDSA-N 2 1 362.474 0.739 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522823 1194143707 /nfs/dbraw/zinc/14/37/07/1194143707.db2.gz ZCDZLSKZKNYXIR-IKGGRYGDSA-N 2 1 362.474 0.739 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]21 ZINC001076046882 1194273283 /nfs/dbraw/zinc/27/32/83/1194273283.db2.gz QSWOWEWKMSKNNB-DLBZAZTESA-N 2 1 357.462 0.633 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]21 ZINC001076046882 1194273291 /nfs/dbraw/zinc/27/32/91/1194273291.db2.gz QSWOWEWKMSKNNB-DLBZAZTESA-N 2 1 357.462 0.633 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]21 ZINC001076070515 1194291568 /nfs/dbraw/zinc/29/15/68/1194291568.db2.gz MWPATDHUDLVHEU-VVJOJPPRSA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076070515 1194291573 /nfs/dbraw/zinc/29/15/73/1194291573.db2.gz MWPATDHUDLVHEU-VVJOJPPRSA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076070515 1194291578 /nfs/dbraw/zinc/29/15/78/1194291578.db2.gz MWPATDHUDLVHEU-VVJOJPPRSA-N 2 1 371.485 0.279 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076107030 1194309333 /nfs/dbraw/zinc/30/93/33/1194309333.db2.gz JYHHTDHEALHADL-GVDBMIGSSA-N 2 1 358.446 0.064 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001076205075 1194352365 /nfs/dbraw/zinc/35/23/65/1194352365.db2.gz MKDIRELKAXLFEH-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001076205075 1194352369 /nfs/dbraw/zinc/35/23/69/1194352369.db2.gz MKDIRELKAXLFEH-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1=O ZINC001076205069 1194352887 /nfs/dbraw/zinc/35/28/87/1194352887.db2.gz MBMSDERLZOBMME-ZWKOTPCHSA-N 2 1 358.486 0.760 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246725 1194366125 /nfs/dbraw/zinc/36/61/25/1194366125.db2.gz HNINDLIPYCULKD-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246725 1194366128 /nfs/dbraw/zinc/36/61/28/1194366128.db2.gz HNINDLIPYCULKD-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246725 1194366135 /nfs/dbraw/zinc/36/61/35/1194366135.db2.gz HNINDLIPYCULKD-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076320791 1194395732 /nfs/dbraw/zinc/39/57/32/1194395732.db2.gz JPJIEKVTRNUYRW-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076320791 1194395736 /nfs/dbraw/zinc/39/57/36/1194395736.db2.gz JPJIEKVTRNUYRW-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)cn1 ZINC001076349672 1194411946 /nfs/dbraw/zinc/41/19/46/1194411946.db2.gz PCWOVFARALYYEQ-SOLBZPMBSA-N 2 1 361.490 0.628 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001076397446 1194442583 /nfs/dbraw/zinc/44/25/83/1194442583.db2.gz NCVBHHDSOBXPOD-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001076397446 1194442588 /nfs/dbraw/zinc/44/25/88/1194442588.db2.gz NCVBHHDSOBXPOD-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP NC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001076467040 1194500946 /nfs/dbraw/zinc/50/09/46/1194500946.db2.gz ADHOLEOJQFNQJP-ZWKOTPCHSA-N 2 1 368.481 0.914 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469138 1194502685 /nfs/dbraw/zinc/50/26/85/1194502685.db2.gz SNCRPNXLFGGDHA-HRCADAONSA-N 2 1 356.474 0.394 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001076574476 1194572346 /nfs/dbraw/zinc/57/23/46/1194572346.db2.gz HUMYGUWBSRGYOE-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001076574476 1194572351 /nfs/dbraw/zinc/57/23/51/1194572351.db2.gz HUMYGUWBSRGYOE-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567791 1194574061 /nfs/dbraw/zinc/57/40/61/1194574061.db2.gz IQKCXMFVTGZJQK-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567791 1194574066 /nfs/dbraw/zinc/57/40/66/1194574066.db2.gz IQKCXMFVTGZJQK-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567791 1194574074 /nfs/dbraw/zinc/57/40/74/1194574074.db2.gz IQKCXMFVTGZJQK-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001076567791 1194574081 /nfs/dbraw/zinc/57/40/81/1194574081.db2.gz IQKCXMFVTGZJQK-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001218813572 1224229064 /nfs/dbraw/zinc/22/90/64/1224229064.db2.gz BEHISONEHSZJPI-IPMKNSEASA-N 2 1 361.486 0.973 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218819538 1224232730 /nfs/dbraw/zinc/23/27/30/1224232730.db2.gz JBLQCDAXXDFJFW-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023716 1195160432 /nfs/dbraw/zinc/16/04/32/1195160432.db2.gz PBUPHVBYTIPGOQ-MWQQHZPXSA-N 2 1 361.490 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@H]2O)CC[N@H+]1C ZINC001077023716 1195160435 /nfs/dbraw/zinc/16/04/35/1195160435.db2.gz PBUPHVBYTIPGOQ-MWQQHZPXSA-N 2 1 361.490 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]2O)CC[NH+]1C ZINC001077023716 1195160440 /nfs/dbraw/zinc/16/04/40/1195160440.db2.gz PBUPHVBYTIPGOQ-MWQQHZPXSA-N 2 1 361.490 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]2O)CC[NH+]1C ZINC001077023716 1195160443 /nfs/dbraw/zinc/16/04/43/1195160443.db2.gz PBUPHVBYTIPGOQ-MWQQHZPXSA-N 2 1 361.490 0.149 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280573 1195381410 /nfs/dbraw/zinc/38/14/10/1195381410.db2.gz DKSHIDLTNKPAKI-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280573 1195381418 /nfs/dbraw/zinc/38/14/18/1195381418.db2.gz DKSHIDLTNKPAKI-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280573 1195381422 /nfs/dbraw/zinc/38/14/22/1195381422.db2.gz DKSHIDLTNKPAKI-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077280573 1195381427 /nfs/dbraw/zinc/38/14/27/1195381427.db2.gz DKSHIDLTNKPAKI-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366516 1195465870 /nfs/dbraw/zinc/46/58/70/1195465870.db2.gz MMVTZMGDXXEZQB-BMGDILEWSA-N 2 1 371.441 0.469 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001077392827 1195490603 /nfs/dbraw/zinc/49/06/03/1195490603.db2.gz SKFYUSLXFJVTQB-QZTJIDSGSA-N 2 1 370.453 0.530 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001077392827 1195490607 /nfs/dbraw/zinc/49/06/07/1195490607.db2.gz SKFYUSLXFJVTQB-QZTJIDSGSA-N 2 1 370.453 0.530 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077399630 1195500275 /nfs/dbraw/zinc/50/02/75/1195500275.db2.gz SCKGZSDVMPCLOR-YXJHDRRASA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077399630 1195500282 /nfs/dbraw/zinc/50/02/82/1195500282.db2.gz SCKGZSDVMPCLOR-YXJHDRRASA-N 2 1 362.474 0.350 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)cc2C1 ZINC000904509194 1195540758 /nfs/dbraw/zinc/54/07/58/1195540758.db2.gz DORPBMVIYTWPEA-FHLIZLRMSA-N 2 1 359.474 0.961 20 0 FCADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905046415 1195571869 /nfs/dbraw/zinc/57/18/69/1195571869.db2.gz ADFOGQMGVZSYQZ-PMACEKPBSA-N 2 1 363.502 0.426 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590512 1195585295 /nfs/dbraw/zinc/58/52/95/1195585295.db2.gz ISUVFPCQHOGYAP-XKQJLSEDSA-N 2 1 366.462 0.470 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591045 1195588247 /nfs/dbraw/zinc/58/82/47/1195588247.db2.gz IEFMGAPQZNZESK-MSOLQXFVSA-N 2 1 368.441 0.394 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591045 1195588253 /nfs/dbraw/zinc/58/82/53/1195588253.db2.gz IEFMGAPQZNZESK-MSOLQXFVSA-N 2 1 368.441 0.394 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001083594149 1195605059 /nfs/dbraw/zinc/60/50/59/1195605059.db2.gz OJQBXRSINXJVQG-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083594149 1195605069 /nfs/dbraw/zinc/60/50/69/1195605069.db2.gz OJQBXRSINXJVQG-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083594149 1195605078 /nfs/dbraw/zinc/60/50/78/1195605078.db2.gz OJQBXRSINXJVQG-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083594149 1195605081 /nfs/dbraw/zinc/60/50/81/1195605081.db2.gz OJQBXRSINXJVQG-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083594149 1195605086 /nfs/dbraw/zinc/60/50/86/1195605086.db2.gz OJQBXRSINXJVQG-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906665286 1195643655 /nfs/dbraw/zinc/64/36/55/1195643655.db2.gz VGQTXXFBTZOFGZ-QGZVFWFLSA-N 2 1 373.501 0.711 20 0 FCADMP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906665286 1195643659 /nfs/dbraw/zinc/64/36/59/1195643659.db2.gz VGQTXXFBTZOFGZ-QGZVFWFLSA-N 2 1 373.501 0.711 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1)C1CCC1 ZINC001083607108 1195682640 /nfs/dbraw/zinc/68/26/40/1195682640.db2.gz GFKYZAUOIFMJKW-SQNIBIBYSA-N 2 1 358.442 0.924 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000907292081 1195688252 /nfs/dbraw/zinc/68/82/52/1195688252.db2.gz OCWBJFDIHIWZLQ-LJQANCHMSA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000907292081 1195688255 /nfs/dbraw/zinc/68/82/55/1195688255.db2.gz OCWBJFDIHIWZLQ-LJQANCHMSA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000907292081 1195688261 /nfs/dbraw/zinc/68/82/61/1195688261.db2.gz OCWBJFDIHIWZLQ-LJQANCHMSA-N 2 1 360.502 0.363 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000907736184 1195709824 /nfs/dbraw/zinc/70/98/24/1195709824.db2.gz CFVZSYZJRYDNED-HXUWFJFHSA-N 2 1 374.529 0.887 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000907736184 1195709831 /nfs/dbraw/zinc/70/98/31/1195709831.db2.gz CFVZSYZJRYDNED-HXUWFJFHSA-N 2 1 374.529 0.887 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000907736184 1195709839 /nfs/dbraw/zinc/70/98/39/1195709839.db2.gz CFVZSYZJRYDNED-HXUWFJFHSA-N 2 1 374.529 0.887 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000907835945 1195714530 /nfs/dbraw/zinc/71/45/30/1195714530.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000907835945 1195714537 /nfs/dbraw/zinc/71/45/37/1195714537.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@H]1CCCN(CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000908001149 1195719506 /nfs/dbraw/zinc/71/95/06/1195719506.db2.gz LEZIHZMGAWGMQP-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000908001149 1195719511 /nfs/dbraw/zinc/71/95/11/1195719511.db2.gz LEZIHZMGAWGMQP-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000908001149 1195719517 /nfs/dbraw/zinc/71/95/17/1195719517.db2.gz LEZIHZMGAWGMQP-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000908001149 1195719524 /nfs/dbraw/zinc/71/95/24/1195719524.db2.gz LEZIHZMGAWGMQP-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000908001149 1195719529 /nfs/dbraw/zinc/71/95/29/1195719529.db2.gz LEZIHZMGAWGMQP-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633362 1195806413 /nfs/dbraw/zinc/80/64/13/1195806413.db2.gz UKSHAEMLEYTJHV-OLMNPRSZSA-N 2 1 371.441 0.469 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000910681012 1195832880 /nfs/dbraw/zinc/83/28/80/1195832880.db2.gz YFVLYYXXHBIMHB-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000910681012 1195832881 /nfs/dbraw/zinc/83/28/81/1195832881.db2.gz YFVLYYXXHBIMHB-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000910687096 1195833579 /nfs/dbraw/zinc/83/35/79/1195833579.db2.gz ICYKVTHJUIEJEQ-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000910687096 1195833582 /nfs/dbraw/zinc/83/35/82/1195833582.db2.gz ICYKVTHJUIEJEQ-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033729 1224306203 /nfs/dbraw/zinc/30/62/03/1224306203.db2.gz VBYRUNKXEARFCN-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033729 1224306213 /nfs/dbraw/zinc/30/62/13/1224306213.db2.gz VBYRUNKXEARFCN-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910836693 1195849141 /nfs/dbraw/zinc/84/91/41/1195849141.db2.gz IUJZFBAXAIDOAL-INIZCTEOSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000910831219 1195850915 /nfs/dbraw/zinc/85/09/15/1195850915.db2.gz WUYAUBOXDKZXRE-JXFKEZNVSA-N 2 1 371.485 0.673 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000910832425 1195851423 /nfs/dbraw/zinc/85/14/23/1195851423.db2.gz QMKWBYIQJUYZIE-DLBZAZTESA-N 2 1 373.501 0.919 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000910962418 1195869142 /nfs/dbraw/zinc/86/91/42/1195869142.db2.gz DMRJSJNWLZZSJH-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000911146826 1195898203 /nfs/dbraw/zinc/89/82/03/1195898203.db2.gz SRELYRQPRNEUMB-UHFFFAOYSA-N 2 1 373.501 0.048 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911195528 1195918821 /nfs/dbraw/zinc/91/88/21/1195918821.db2.gz ULDPUTCXNXXOMY-QXCFHYIPSA-N 2 1 370.497 0.691 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000911324394 1195933190 /nfs/dbraw/zinc/93/31/90/1195933190.db2.gz BVBDPNRZNBMTPA-BSDSXHPESA-N 2 1 356.470 0.860 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219054636 1224322638 /nfs/dbraw/zinc/32/26/38/1224322638.db2.gz HTWPVBAYIXPFDH-RBUKOAKNSA-N 2 1 361.486 0.931 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219054636 1224322649 /nfs/dbraw/zinc/32/26/49/1224322649.db2.gz HTWPVBAYIXPFDH-RBUKOAKNSA-N 2 1 361.486 0.931 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219054636 1224322656 /nfs/dbraw/zinc/32/26/56/1224322656.db2.gz HTWPVBAYIXPFDH-RBUKOAKNSA-N 2 1 361.486 0.931 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001219054636 1224322670 /nfs/dbraw/zinc/32/26/70/1224322670.db2.gz HTWPVBAYIXPFDH-RBUKOAKNSA-N 2 1 361.486 0.931 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1=O ZINC000911840509 1196314508 /nfs/dbraw/zinc/31/45/08/1196314508.db2.gz XTPJZUDSORMSGJ-PMPSAXMXSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360715 1196321611 /nfs/dbraw/zinc/32/16/11/1196321611.db2.gz NEVGCOFUYWCOFJ-NWGLXNPWSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccnn2C)CC3)O1 ZINC000991360715 1196321616 /nfs/dbraw/zinc/32/16/16/1196321616.db2.gz NEVGCOFUYWCOFJ-NWGLXNPWSA-N 2 1 361.490 0.752 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1)OC ZINC001083669171 1196392443 /nfs/dbraw/zinc/39/24/43/1196392443.db2.gz WMUOVTUTEDXEGZ-QRQLOZEOSA-N 2 1 363.502 0.991 20 0 FCADMP C[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000991423220 1196393063 /nfs/dbraw/zinc/39/30/63/1196393063.db2.gz WLOHPBUFWMNMIA-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000991423220 1196393070 /nfs/dbraw/zinc/39/30/70/1196393070.db2.gz WLOHPBUFWMNMIA-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC3CCC([NH+]4CCNCC4)CC3)c21 ZINC000592566597 1196569123 /nfs/dbraw/zinc/56/91/23/1196569123.db2.gz NXMWVZKPWWWOCL-QQFBHYJXSA-N 2 1 360.506 0.665 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C1CC1 ZINC000593696136 1196648199 /nfs/dbraw/zinc/64/81/99/1196648199.db2.gz CQOIPMCYZCSSNO-DLBZAZTESA-N 2 1 359.474 0.859 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C1CC1 ZINC000593696136 1196648203 /nfs/dbraw/zinc/64/82/03/1196648203.db2.gz CQOIPMCYZCSSNO-DLBZAZTESA-N 2 1 359.474 0.859 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736327 1196736159 /nfs/dbraw/zinc/73/61/59/1196736159.db2.gz AIIQCGGZJUTVLB-PKOBYXMFSA-N 3 1 358.486 0.905 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736327 1196736168 /nfs/dbraw/zinc/73/61/68/1196736168.db2.gz AIIQCGGZJUTVLB-PKOBYXMFSA-N 3 1 358.486 0.905 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C2=O ZINC000059579644 1196743884 /nfs/dbraw/zinc/74/38/84/1196743884.db2.gz IYEUWJPVGKNOMD-QGZVFWFLSA-N 2 1 371.485 0.949 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C2=O ZINC000059579644 1196743899 /nfs/dbraw/zinc/74/38/99/1196743899.db2.gz IYEUWJPVGKNOMD-QGZVFWFLSA-N 2 1 371.485 0.949 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049996 1196875594 /nfs/dbraw/zinc/87/55/94/1196875594.db2.gz MCRBVGGPXAGTFJ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049996 1196875596 /nfs/dbraw/zinc/87/55/96/1196875596.db2.gz MCRBVGGPXAGTFJ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049996 1196875598 /nfs/dbraw/zinc/87/55/98/1196875598.db2.gz MCRBVGGPXAGTFJ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049996 1196875599 /nfs/dbraw/zinc/87/55/99/1196875599.db2.gz MCRBVGGPXAGTFJ-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053361 1196876669 /nfs/dbraw/zinc/87/66/69/1196876669.db2.gz SXLGCQMZKPJFJM-PVAVHDDUSA-N 2 1 362.474 0.185 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053361 1196876672 /nfs/dbraw/zinc/87/66/72/1196876672.db2.gz SXLGCQMZKPJFJM-PVAVHDDUSA-N 2 1 362.474 0.185 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053361 1196876674 /nfs/dbraw/zinc/87/66/74/1196876674.db2.gz SXLGCQMZKPJFJM-PVAVHDDUSA-N 2 1 362.474 0.185 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)C1 ZINC001089053361 1196876675 /nfs/dbraw/zinc/87/66/75/1196876675.db2.gz SXLGCQMZKPJFJM-PVAVHDDUSA-N 2 1 362.474 0.185 20 0 FCADMP Cc1ccccc1NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272413624 1197067174 /nfs/dbraw/zinc/06/71/74/1197067174.db2.gz FTJFTWHOYBHBTQ-BZUAXINKSA-N 2 1 362.474 0.340 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000992398369 1197087415 /nfs/dbraw/zinc/08/74/15/1197087415.db2.gz BPQHHYIEODPAAS-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC(F)(F)F)CC2)CC[N@H+]1C ZINC001483735310 1197170271 /nfs/dbraw/zinc/17/02/71/1197170271.db2.gz RTMSOAFQOOTWHA-GHMZBOCLSA-N 2 1 350.385 0.244 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001219262409 1224406850 /nfs/dbraw/zinc/40/68/50/1224406850.db2.gz WLRAIQHDNBXOBP-IUODEOHRSA-N 2 1 360.414 0.371 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106255638 1197791821 /nfs/dbraw/zinc/79/18/21/1197791821.db2.gz BSPIHRRQSVVXCX-NUJGCVRESA-N 2 1 363.506 0.412 20 0 FCADMP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255665 1197793010 /nfs/dbraw/zinc/79/30/10/1197793010.db2.gz DKCHCSLHUVQIEJ-NUJGCVRESA-N 2 1 371.522 0.179 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667524 1197802147 /nfs/dbraw/zinc/80/21/47/1197802147.db2.gz HGTLRSLTSZGCAU-BZSNNMDCSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667524 1197802149 /nfs/dbraw/zinc/80/21/49/1197802149.db2.gz HGTLRSLTSZGCAU-BZSNNMDCSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000734667524 1197802152 /nfs/dbraw/zinc/80/21/52/1197802152.db2.gz HGTLRSLTSZGCAU-BZSNNMDCSA-N 2 1 365.522 0.271 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1)C(N)=O ZINC001085334311 1197827660 /nfs/dbraw/zinc/82/76/60/1197827660.db2.gz FINCNKXQPUOHJN-BPLDGKMQSA-N 2 1 363.462 0.775 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085352400 1197836796 /nfs/dbraw/zinc/83/67/96/1197836796.db2.gz FWAFECZIXSGDAO-BZUAXINKSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085352400 1197836805 /nfs/dbraw/zinc/83/68/05/1197836805.db2.gz FWAFECZIXSGDAO-BZUAXINKSA-N 2 1 363.510 0.990 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C)[NH+]1CCCCCC1 ZINC001085352654 1197838061 /nfs/dbraw/zinc/83/80/61/1197838061.db2.gz QXOCOAGNBHBPDR-BZUAXINKSA-N 2 1 363.510 0.992 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000993133847 1197853110 /nfs/dbraw/zinc/85/31/10/1197853110.db2.gz GNEGBJRZHUKJHQ-TXPKVOOTSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000993133847 1197853114 /nfs/dbraw/zinc/85/31/14/1197853114.db2.gz GNEGBJRZHUKJHQ-TXPKVOOTSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358116 1224441234 /nfs/dbraw/zinc/44/12/34/1224441234.db2.gz YPDZVMUQWTYJHL-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358116 1224441240 /nfs/dbraw/zinc/44/12/40/1224441240.db2.gz YPDZVMUQWTYJHL-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358116 1224441246 /nfs/dbraw/zinc/44/12/46/1224441246.db2.gz YPDZVMUQWTYJHL-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001219358116 1224441254 /nfs/dbraw/zinc/44/12/54/1224441254.db2.gz YPDZVMUQWTYJHL-QRVBRYPASA-N 2 1 361.486 0.849 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001085394971 1197862829 /nfs/dbraw/zinc/86/28/29/1197862829.db2.gz NZNZDEMOUHRBPL-ZIAGYGMSSA-N 2 1 362.478 0.748 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000735590829 1197868011 /nfs/dbraw/zinc/86/80/11/1197868011.db2.gz LROHHYAWDSQPJW-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085423126 1197887758 /nfs/dbraw/zinc/88/77/58/1197887758.db2.gz XSBTVMJDVFZPHP-BZUAXINKSA-N 2 1 363.510 0.942 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085423126 1197887762 /nfs/dbraw/zinc/88/77/62/1197887762.db2.gz XSBTVMJDVFZPHP-BZUAXINKSA-N 2 1 363.510 0.942 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085429101 1197896144 /nfs/dbraw/zinc/89/61/44/1197896144.db2.gz GQWNYWVJRXXIDZ-ZACQAIPSSA-N 2 1 364.494 0.536 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085429101 1197896145 /nfs/dbraw/zinc/89/61/45/1197896145.db2.gz GQWNYWVJRXXIDZ-ZACQAIPSSA-N 2 1 364.494 0.536 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001106431927 1197921241 /nfs/dbraw/zinc/92/12/41/1197921241.db2.gz MICFROBGXJXWFB-CXAGYDPISA-N 2 1 359.478 0.784 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106436030 1197922764 /nfs/dbraw/zinc/92/27/64/1197922764.db2.gz YRLJQHLXLKOIDH-HUUCEWRRSA-N 2 1 361.490 0.582 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[N@H+](C3CCCC3)CC1)C2=O ZINC000738270456 1197996566 /nfs/dbraw/zinc/99/65/66/1197996566.db2.gz SBJMJWTWNZGPBS-UHFFFAOYSA-N 2 1 363.506 0.910 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106590828 1198025425 /nfs/dbraw/zinc/02/54/25/1198025425.db2.gz APVGPGSQWHKJLU-FVQBIDKESA-N 2 1 361.490 0.526 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001086119788 1198178140 /nfs/dbraw/zinc/17/81/40/1198178140.db2.gz AGVAMJXNZOCWPB-ZXFNITATSA-N 2 1 361.490 0.533 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001086119788 1198178162 /nfs/dbraw/zinc/17/81/62/1198178162.db2.gz AGVAMJXNZOCWPB-ZXFNITATSA-N 2 1 361.490 0.533 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086120097 1198178264 /nfs/dbraw/zinc/17/82/64/1198178264.db2.gz LWKNJWHOSVVAGN-UHDSXZAQSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086120097 1198178281 /nfs/dbraw/zinc/17/82/81/1198178281.db2.gz LWKNJWHOSVVAGN-UHDSXZAQSA-N 2 1 366.506 0.199 20 0 FCADMP CCOC(=O)CC[N@H+](CC1CC1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743359088 1198263652 /nfs/dbraw/zinc/26/36/52/1198263652.db2.gz RVXCYLAKWROUOV-UHFFFAOYSA-N 2 1 366.462 0.625 20 0 FCADMP CCOC(=O)CC[N@@H+](CC1CC1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743359088 1198263666 /nfs/dbraw/zinc/26/36/66/1198263666.db2.gz RVXCYLAKWROUOV-UHFFFAOYSA-N 2 1 366.462 0.625 20 0 FCADMP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001219488884 1224485783 /nfs/dbraw/zinc/48/57/83/1224485783.db2.gz ANTKBGXJCXRZCN-GUYCJALGSA-N 2 1 361.490 0.853 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000745794299 1198946095 /nfs/dbraw/zinc/94/60/95/1198946095.db2.gz YORLYWIAYYPZJO-ZWKOTPCHSA-N 2 1 369.554 0.765 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)cn1 ZINC000746045466 1198961786 /nfs/dbraw/zinc/96/17/86/1198961786.db2.gz HDNKLHAKFICSAC-ZDUSSCGKSA-N 2 1 356.430 0.972 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cn1 ZINC000746045466 1198961791 /nfs/dbraw/zinc/96/17/91/1198961791.db2.gz HDNKLHAKFICSAC-ZDUSSCGKSA-N 2 1 356.430 0.972 20 0 FCADMP c1c[nH+]c(NCc2ccc(N3CCOCC3)nn2)c(N2CC[NH2+]CC2)c1 ZINC001169739611 1199090671 /nfs/dbraw/zinc/09/06/71/1199090671.db2.gz CZOIVQZZEITIBK-UHFFFAOYSA-N 2 1 355.446 0.730 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000766959096 1199105524 /nfs/dbraw/zinc/10/55/24/1199105524.db2.gz CTKCOOSEIKLNMW-ZWKOTPCHSA-N 2 1 363.506 0.909 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370169 1199128329 /nfs/dbraw/zinc/12/83/29/1199128329.db2.gz QVENWPJJWWKSTG-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370169 1199128332 /nfs/dbraw/zinc/12/83/32/1199128332.db2.gz QVENWPJJWWKSTG-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370169 1199128337 /nfs/dbraw/zinc/12/83/37/1199128337.db2.gz QVENWPJJWWKSTG-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652335 1224545814 /nfs/dbraw/zinc/54/58/14/1224545814.db2.gz SMZPKQAHSNFCRV-NXHRZFHOSA-N 2 1 365.522 0.902 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219726976 1224580116 /nfs/dbraw/zinc/58/01/16/1224580116.db2.gz TTZSLCUABTWABX-GUDVDZBRSA-N 3 1 372.513 0.185 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219729400 1224582028 /nfs/dbraw/zinc/58/20/28/1224582028.db2.gz VNPUUIVUNYYIEH-OTWHNJEPSA-N 3 1 372.513 0.327 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767945898 1200043090 /nfs/dbraw/zinc/04/30/90/1200043090.db2.gz UQROYNSTPZXHSP-BRSBDYLESA-N 2 1 366.506 0.527 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386010 1200110216 /nfs/dbraw/zinc/11/02/16/1200110216.db2.gz VQRZMPJKZVJZRI-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301846 1200159911 /nfs/dbraw/zinc/15/99/11/1200159911.db2.gz MZGZUURWSDSGOF-MVJTYMMSSA-N 2 1 363.506 0.941 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001109306348 1200161558 /nfs/dbraw/zinc/16/15/58/1200161558.db2.gz WCHNUARZYZHCAZ-XABWRGDLSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001109306348 1200161567 /nfs/dbraw/zinc/16/15/67/1200161567.db2.gz WCHNUARZYZHCAZ-XABWRGDLSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001109306348 1200161574 /nfs/dbraw/zinc/16/15/74/1200161574.db2.gz WCHNUARZYZHCAZ-XABWRGDLSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001109306348 1200161582 /nfs/dbraw/zinc/16/15/82/1200161582.db2.gz WCHNUARZYZHCAZ-XABWRGDLSA-N 2 1 362.518 0.917 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219764871 1224601662 /nfs/dbraw/zinc/60/16/62/1224601662.db2.gz NORICLMDNJKJQJ-SOLBZPMBSA-N 2 1 361.490 0.026 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219764871 1224601668 /nfs/dbraw/zinc/60/16/68/1224601668.db2.gz NORICLMDNJKJQJ-SOLBZPMBSA-N 2 1 361.490 0.026 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219765906 1224602393 /nfs/dbraw/zinc/60/23/93/1224602393.db2.gz HAUTUJJDYAQGES-REHHDOPLSA-N 2 1 369.513 0.122 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219765906 1224602396 /nfs/dbraw/zinc/60/23/96/1224602396.db2.gz HAUTUJJDYAQGES-REHHDOPLSA-N 2 1 369.513 0.122 20 0 FCADMP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)ccc2c[nH+]cn21 ZINC001109472731 1200316000 /nfs/dbraw/zinc/31/60/00/1200316000.db2.gz CEJUQXZTKVVJHQ-JLSDUUJJSA-N 2 1 358.442 0.987 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109688317 1200463676 /nfs/dbraw/zinc/46/36/76/1200463676.db2.gz IVOQYQORQCLILD-LDDOYCOJSA-N 2 1 364.490 0.443 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109688317 1200463683 /nfs/dbraw/zinc/46/36/83/1200463683.db2.gz IVOQYQORQCLILD-LDDOYCOJSA-N 2 1 364.490 0.443 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219796317 1224616761 /nfs/dbraw/zinc/61/67/61/1224616761.db2.gz VMEKNILJWKWTDP-MOPGFXCFSA-N 2 1 363.550 0.535 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800183 1224619479 /nfs/dbraw/zinc/61/94/79/1224619479.db2.gz HMXNWFBYUOCRGF-OALUTQOASA-N 2 1 372.513 0.735 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800183 1224619482 /nfs/dbraw/zinc/61/94/82/1224619482.db2.gz HMXNWFBYUOCRGF-OALUTQOASA-N 2 1 372.513 0.735 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902297 1200600243 /nfs/dbraw/zinc/60/02/43/1200600243.db2.gz AFTGZSMOCNFMPJ-JHNDHUHGSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902297 1200600246 /nfs/dbraw/zinc/60/02/46/1200600246.db2.gz AFTGZSMOCNFMPJ-JHNDHUHGSA-N 2 1 366.506 0.295 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902515 1200600693 /nfs/dbraw/zinc/60/06/93/1200600693.db2.gz NOTDQWHLKXVPBZ-NJAFHUGGSA-N 2 1 369.506 0.482 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC2(COC(=O)N2)CC1)c1ccccc1 ZINC000771783681 1200635689 /nfs/dbraw/zinc/63/56/89/1200635689.db2.gz BCQWWJHOWUUYON-INIZCTEOSA-N 2 1 360.458 0.980 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219803956 1224623280 /nfs/dbraw/zinc/62/32/80/1224623280.db2.gz JCXIGMLMKGWXME-QYZOEREBSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219803956 1224623284 /nfs/dbraw/zinc/62/32/84/1224623284.db2.gz JCXIGMLMKGWXME-QYZOEREBSA-N 2 1 361.486 0.835 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975701 1200657588 /nfs/dbraw/zinc/65/75/88/1200657588.db2.gz AFILXXHDFQEHEG-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975701 1200657591 /nfs/dbraw/zinc/65/75/91/1200657591.db2.gz AFILXXHDFQEHEG-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975701 1200657597 /nfs/dbraw/zinc/65/75/97/1200657597.db2.gz AFILXXHDFQEHEG-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975701 1200657600 /nfs/dbraw/zinc/65/76/00/1200657600.db2.gz AFILXXHDFQEHEG-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975992 1200657766 /nfs/dbraw/zinc/65/77/66/1200657766.db2.gz MYKPYZIPDSTEDF-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975992 1200657778 /nfs/dbraw/zinc/65/77/78/1200657778.db2.gz MYKPYZIPDSTEDF-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975992 1200657783 /nfs/dbraw/zinc/65/77/83/1200657783.db2.gz MYKPYZIPDSTEDF-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975992 1200657789 /nfs/dbraw/zinc/65/77/89/1200657789.db2.gz MYKPYZIPDSTEDF-NCOADZHNSA-N 2 1 365.522 0.757 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975968 1200658017 /nfs/dbraw/zinc/65/80/17/1200658017.db2.gz MEBCHWNGPYJGJP-BDXSIMOUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975968 1200658022 /nfs/dbraw/zinc/65/80/22/1200658022.db2.gz MEBCHWNGPYJGJP-BDXSIMOUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975968 1200658029 /nfs/dbraw/zinc/65/80/29/1200658029.db2.gz MEBCHWNGPYJGJP-BDXSIMOUSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCC1 ZINC001109977449 1200659647 /nfs/dbraw/zinc/65/96/47/1200659647.db2.gz JHXZUIDDMDOSML-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCC1 ZINC001109977449 1200659648 /nfs/dbraw/zinc/65/96/48/1200659648.db2.gz JHXZUIDDMDOSML-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001109977668 1200659788 /nfs/dbraw/zinc/65/97/88/1200659788.db2.gz UGGCCTZRNKDGFK-IKGGRYGDSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cn1 ZINC001109977668 1200659797 /nfs/dbraw/zinc/65/97/97/1200659797.db2.gz UGGCCTZRNKDGFK-IKGGRYGDSA-N 2 1 362.474 0.890 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC ZINC001110019290 1200709333 /nfs/dbraw/zinc/70/93/33/1200709333.db2.gz PQOSLXUXIZGOSI-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110019290 1200709339 /nfs/dbraw/zinc/70/93/39/1200709339.db2.gz PQOSLXUXIZGOSI-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110019290 1200709344 /nfs/dbraw/zinc/70/93/44/1200709344.db2.gz PQOSLXUXIZGOSI-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110019290 1200709358 /nfs/dbraw/zinc/70/93/58/1200709358.db2.gz PQOSLXUXIZGOSI-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110019290 1200709370 /nfs/dbraw/zinc/70/93/70/1200709370.db2.gz PQOSLXUXIZGOSI-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001112545815 1200767680 /nfs/dbraw/zinc/76/76/80/1200767680.db2.gz FQAHDHVWXKUYJN-LPHOPBHVSA-N 2 1 366.506 0.193 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112557714 1200784432 /nfs/dbraw/zinc/78/44/32/1200784432.db2.gz UJBZULALGWFUBC-LPHOPBHVSA-N 2 1 365.522 0.572 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001219816195 1224632726 /nfs/dbraw/zinc/63/27/26/1224632726.db2.gz CSEJVYWARPQGBZ-SQNIBIBYSA-N 3 1 358.486 0.659 20 0 FCADMP CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001219816195 1224632732 /nfs/dbraw/zinc/63/27/32/1224632732.db2.gz CSEJVYWARPQGBZ-SQNIBIBYSA-N 2 1 358.486 0.659 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578799 1200817542 /nfs/dbraw/zinc/81/75/42/1200817542.db2.gz HOHUBAYUDKPPDC-LPHOPBHVSA-N 2 1 361.490 0.936 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112583371 1200820807 /nfs/dbraw/zinc/82/08/07/1200820807.db2.gz QFBONWGPZBAVET-BXWFABGCSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112583371 1200820811 /nfs/dbraw/zinc/82/08/11/1200820811.db2.gz QFBONWGPZBAVET-BXWFABGCSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787101742 1200865478 /nfs/dbraw/zinc/86/54/78/1200865478.db2.gz DSFHUSFIMHPBMP-INIZCTEOSA-N 2 1 363.462 0.067 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000746676421 1200878364 /nfs/dbraw/zinc/87/83/64/1200878364.db2.gz VIMKUJIXRRZFHX-KRWDZBQOSA-N 2 1 369.506 0.785 20 0 FCADMP [NH3+]C1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CCN(Cc2ccccc2)CC1 ZINC001219831240 1224642562 /nfs/dbraw/zinc/64/25/62/1224642562.db2.gz CSZWMPRYAWMLAY-KURKYZTESA-N 2 1 358.486 0.473 20 0 FCADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371628 1201074646 /nfs/dbraw/zinc/07/46/46/1201074646.db2.gz TVLYEZHNJCZSLN-PKOBYXMFSA-N 2 1 364.490 0.657 20 0 FCADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371628 1201074655 /nfs/dbraw/zinc/07/46/55/1201074655.db2.gz TVLYEZHNJCZSLN-PKOBYXMFSA-N 2 1 364.490 0.657 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605009 1201175272 /nfs/dbraw/zinc/17/52/72/1201175272.db2.gz HCRZYIPQHDLZAS-IPMKNSEASA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605009 1201175275 /nfs/dbraw/zinc/17/52/75/1201175275.db2.gz HCRZYIPQHDLZAS-IPMKNSEASA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605009 1201175278 /nfs/dbraw/zinc/17/52/78/1201175278.db2.gz HCRZYIPQHDLZAS-IPMKNSEASA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2c2ccccc2)C1 ZINC001086605009 1201175282 /nfs/dbraw/zinc/17/52/82/1201175282.db2.gz HCRZYIPQHDLZAS-IPMKNSEASA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793715018 1201254270 /nfs/dbraw/zinc/25/42/70/1201254270.db2.gz VGBVSZDKWIZEHH-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793715018 1201254274 /nfs/dbraw/zinc/25/42/74/1201254274.db2.gz VGBVSZDKWIZEHH-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620384 1201282390 /nfs/dbraw/zinc/28/23/90/1201282390.db2.gz ODJOOUNSVAVNTJ-RYQLBKOJSA-N 2 1 370.497 0.801 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620384 1201282395 /nfs/dbraw/zinc/28/23/95/1201282395.db2.gz ODJOOUNSVAVNTJ-RYQLBKOJSA-N 2 1 370.497 0.801 20 0 FCADMP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1)C12CC[NH+](CC1)C2 ZINC001086620286 1201283247 /nfs/dbraw/zinc/28/32/47/1201283247.db2.gz JHMSRUKMJDNUEL-RCCFBDPRSA-N 2 1 368.481 0.555 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1)C12CC[NH+](CC1)C2 ZINC001086620286 1201283249 /nfs/dbraw/zinc/28/32/49/1201283249.db2.gz JHMSRUKMJDNUEL-RCCFBDPRSA-N 2 1 368.481 0.555 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453924 1201312234 /nfs/dbraw/zinc/31/22/34/1201312234.db2.gz PUVYVQMLNGARIH-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129892368 1201416086 /nfs/dbraw/zinc/41/60/86/1201416086.db2.gz UEZNWXMTXDHPBK-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894921 1201429707 /nfs/dbraw/zinc/42/97/07/1201429707.db2.gz YBDVNEUYYDPTOM-OIISXLGYSA-N 2 1 364.494 0.265 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129896204 1201430527 /nfs/dbraw/zinc/43/05/27/1201430527.db2.gz SKGNFXJZVUJMAM-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129932428 1201435622 /nfs/dbraw/zinc/43/56/22/1201435622.db2.gz XRUPPIZUSLCABN-OLZOCXBDSA-N 2 1 371.367 0.777 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130040614 1201478372 /nfs/dbraw/zinc/47/83/72/1201478372.db2.gz CZFJZNGOAUYIQC-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001130047419 1201486624 /nfs/dbraw/zinc/48/66/24/1201486624.db2.gz AAPWJANRXOMRJB-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130081256 1201491966 /nfs/dbraw/zinc/49/19/66/1201491966.db2.gz FLWHTPBZMRCYHN-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130081257 1201492320 /nfs/dbraw/zinc/49/23/20/1201492320.db2.gz FLWHTPBZMRCYHN-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001130079543 1201496232 /nfs/dbraw/zinc/49/62/32/1201496232.db2.gz ONUNAIAVGKTQPQ-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)[C@@H](n2ccnn2)C1 ZINC001130079543 1201496239 /nfs/dbraw/zinc/49/62/39/1201496239.db2.gz ONUNAIAVGKTQPQ-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001130107367 1201503304 /nfs/dbraw/zinc/50/33/04/1201503304.db2.gz MFAYPAMZWXWUTE-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137075 1201514196 /nfs/dbraw/zinc/51/41/96/1201514196.db2.gz HZSFSNUGSYIAFY-CVEARBPZSA-N 2 1 361.450 0.456 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137075 1201514201 /nfs/dbraw/zinc/51/42/01/1201514201.db2.gz HZSFSNUGSYIAFY-CVEARBPZSA-N 2 1 361.450 0.456 20 0 FCADMP COc1ccc(COCC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130182353 1201523324 /nfs/dbraw/zinc/52/33/24/1201523324.db2.gz DDJGLJQBMDYSHJ-CRAIPNDOSA-N 2 1 365.474 0.637 20 0 FCADMP COc1ccc(COCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130182353 1201523330 /nfs/dbraw/zinc/52/33/30/1201523330.db2.gz DDJGLJQBMDYSHJ-CRAIPNDOSA-N 2 1 365.474 0.637 20 0 FCADMP Cc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130182382 1201526068 /nfs/dbraw/zinc/52/60/68/1201526068.db2.gz FKNRBOJHEUJZNB-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP Cc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130182382 1201526076 /nfs/dbraw/zinc/52/60/76/1201526076.db2.gz FKNRBOJHEUJZNB-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)O1 ZINC001130182606 1201534574 /nfs/dbraw/zinc/53/45/74/1201534574.db2.gz OWEQROMYJGMERQ-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)O1 ZINC001130182606 1201534577 /nfs/dbraw/zinc/53/45/77/1201534577.db2.gz OWEQROMYJGMERQ-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCC1CCCCC1 ZINC001130184588 1201536744 /nfs/dbraw/zinc/53/67/44/1201536744.db2.gz VRZLTQRLDQCSKF-HLLBOEOZSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCC1CCCCC1 ZINC001130184588 1201536749 /nfs/dbraw/zinc/53/67/49/1201536749.db2.gz VRZLTQRLDQCSKF-HLLBOEOZSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)c1ccccc1 ZINC001130184473 1201537491 /nfs/dbraw/zinc/53/74/91/1201537491.db2.gz RPBKMERSYGQJME-HLLBOEOZSA-N 2 1 362.474 0.463 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)c1ccccc1 ZINC001130184473 1201537495 /nfs/dbraw/zinc/53/74/95/1201537495.db2.gz RPBKMERSYGQJME-HLLBOEOZSA-N 2 1 362.474 0.463 20 0 FCADMP Cc1cccc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184717 1201537870 /nfs/dbraw/zinc/53/78/70/1201537870.db2.gz XXUCEDGDRLKGRG-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1cccc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184717 1201537872 /nfs/dbraw/zinc/53/78/72/1201537872.db2.gz XXUCEDGDRLKGRG-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919935 1224681783 /nfs/dbraw/zinc/68/17/83/1224681783.db2.gz ULRKJKQQADJFKG-MSOLQXFVSA-N 2 1 364.490 0.884 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1)C1CCC1 ZINC001130292761 1201578874 /nfs/dbraw/zinc/57/88/74/1201578874.db2.gz AEEYNZFLZYGYNU-APWZRJJASA-N 2 1 368.497 0.916 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531848 1202710113 /nfs/dbraw/zinc/71/01/13/1202710113.db2.gz ISOAFISEGXDBTL-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOC)C2)CC[N@H+]1C ZINC001130596866 1202728247 /nfs/dbraw/zinc/72/82/47/1202728247.db2.gz UDJGRJLPOGUFKY-CWLKWCNXSA-N 2 1 363.506 0.681 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)O1 ZINC001130615101 1202731884 /nfs/dbraw/zinc/73/18/84/1202731884.db2.gz LEWWCTMTNKQURW-YALNPMBYSA-N 2 1 367.469 0.383 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)O1 ZINC001130615101 1202731888 /nfs/dbraw/zinc/73/18/88/1202731888.db2.gz LEWWCTMTNKQURW-YALNPMBYSA-N 2 1 367.469 0.383 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000806814087 1202777483 /nfs/dbraw/zinc/77/74/83/1202777483.db2.gz IZRUFWJFJTWSPF-KRWDZBQOSA-N 2 1 368.522 0.728 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](F)C[NH+](CC)CC)n[nH]2)O1 ZINC001130785263 1202788824 /nfs/dbraw/zinc/78/88/24/1202788824.db2.gz IKEGHKXOFPEMPI-BFHYXJOUSA-N 2 1 370.473 0.930 20 0 FCADMP COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130804492 1202800532 /nfs/dbraw/zinc/80/05/32/1202800532.db2.gz GYBWDLBVLGSNOQ-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130817789 1202808634 /nfs/dbraw/zinc/80/86/34/1202808634.db2.gz ZWPIHENUKFHSFH-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130817789 1202808637 /nfs/dbraw/zinc/80/86/37/1202808637.db2.gz ZWPIHENUKFHSFH-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130817789 1202808638 /nfs/dbraw/zinc/80/86/38/1202808638.db2.gz ZWPIHENUKFHSFH-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072082 1202856723 /nfs/dbraw/zinc/85/67/23/1202856723.db2.gz IRHVKSCCCOFMLN-ARFHVFGLSA-N 2 1 365.522 0.663 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC001086664328 1202881214 /nfs/dbraw/zinc/88/12/14/1202881214.db2.gz JEQNYRJBNUCLNW-UAGQMJEPSA-N 2 1 362.474 0.090 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC001086664328 1202881218 /nfs/dbraw/zinc/88/12/18/1202881218.db2.gz JEQNYRJBNUCLNW-UAGQMJEPSA-N 2 1 362.474 0.090 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001086664229 1202881381 /nfs/dbraw/zinc/88/13/81/1202881381.db2.gz DJOSMXOBRFXEEJ-MJBXVCDLSA-N 2 1 371.432 0.983 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001086664229 1202881383 /nfs/dbraw/zinc/88/13/83/1202881383.db2.gz DJOSMXOBRFXEEJ-MJBXVCDLSA-N 2 1 371.432 0.983 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131592883 1202917325 /nfs/dbraw/zinc/91/73/25/1202917325.db2.gz AILAEKOTOOASPE-OGWOLHLISA-N 2 1 366.506 0.060 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001086716626 1203011376 /nfs/dbraw/zinc/01/13/76/1203011376.db2.gz JTMLAXVFUZQVRA-SQWLQELKSA-N 2 1 357.462 0.964 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086716637 1203011614 /nfs/dbraw/zinc/01/16/14/1203011614.db2.gz KFDPTHUTYLHZFY-HRCADAONSA-N 2 1 363.510 0.563 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001086716958 1203012923 /nfs/dbraw/zinc/01/29/23/1203012923.db2.gz ZIPUTRFCFYIZGN-SQWLQELKSA-N 2 1 357.462 0.964 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001086722604 1203023268 /nfs/dbraw/zinc/02/32/68/1203023268.db2.gz NBQGOZPCEQSDJA-GBJTYRQASA-N 2 1 360.462 0.413 20 0 FCADMP Cc1nc2c([nH]1)CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC001086737395 1203063168 /nfs/dbraw/zinc/06/31/68/1203063168.db2.gz IBBKKPVUBPHXMO-HRCADAONSA-N 2 1 371.489 0.989 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cnon2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086761561 1203083479 /nfs/dbraw/zinc/08/34/79/1203083479.db2.gz LIQLJTRWEFZJOS-GIUFDNAASA-N 2 1 361.446 0.307 20 0 FCADMP C[C@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861637 1203100473 /nfs/dbraw/zinc/10/04/73/1203100473.db2.gz FLDSIDWIPRHZLQ-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3nncn3C)C1)C2 ZINC001086802942 1203101497 /nfs/dbraw/zinc/10/14/97/1203101497.db2.gz ICTHCBZTVYIQLO-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000817959994 1203128340 /nfs/dbraw/zinc/12/83/40/1203128340.db2.gz JVVWESALWNLIRB-BEFAXECRSA-N 2 1 359.474 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817971325 1203129541 /nfs/dbraw/zinc/12/95/41/1203129541.db2.gz CITROGKJHBIACP-DNVCBOLYSA-N 2 1 364.490 0.053 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C ZINC001110104455 1203217852 /nfs/dbraw/zinc/21/78/52/1203217852.db2.gz XDEUKDNJUJEJOQ-OWSLCNJRSA-N 2 1 364.490 0.947 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(C)C ZINC001110104455 1203217856 /nfs/dbraw/zinc/21/78/56/1203217856.db2.gz XDEUKDNJUJEJOQ-OWSLCNJRSA-N 2 1 364.490 0.947 20 0 FCADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001220120749 1224777345 /nfs/dbraw/zinc/77/73/45/1224777345.db2.gz OOFGGUMXXHDXFE-OAHLLOKOSA-N 2 1 361.446 0.725 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090884269 1203330883 /nfs/dbraw/zinc/33/08/83/1203330883.db2.gz HNDTWEPOARILCW-ZYSHUDEJSA-N 2 1 361.486 0.913 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186994 1203338616 /nfs/dbraw/zinc/33/86/16/1203338616.db2.gz DUYVTOBHFONKTG-DLBZAZTESA-N 2 1 361.490 0.477 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220227033 1224809416 /nfs/dbraw/zinc/80/94/16/1224809416.db2.gz FXMYUAQSFLQCQJ-ZACQAIPSSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220227033 1224809420 /nfs/dbraw/zinc/80/94/20/1224809420.db2.gz FXMYUAQSFLQCQJ-ZACQAIPSSA-N 2 1 365.449 0.362 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228071 1224809651 /nfs/dbraw/zinc/80/96/51/1224809651.db2.gz ABFJVPVFGPVYDJ-MOPGFXCFSA-N 2 1 360.458 0.001 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220237184 1224812221 /nfs/dbraw/zinc/81/22/21/1224812221.db2.gz QGFSSNLROVZCKD-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220237184 1224812223 /nfs/dbraw/zinc/81/22/23/1224812223.db2.gz QGFSSNLROVZCKD-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)CC1 ZINC001220269403 1224817191 /nfs/dbraw/zinc/81/71/91/1224817191.db2.gz XXVFQTLXYKASGJ-MOPGFXCFSA-N 2 1 361.486 0.959 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345244 1224836634 /nfs/dbraw/zinc/83/66/34/1224836634.db2.gz SGEFWHKNIRQKDT-SQNIBIBYSA-N 2 1 365.522 0.727 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220345244 1224836637 /nfs/dbraw/zinc/83/66/37/1224836637.db2.gz SGEFWHKNIRQKDT-SQNIBIBYSA-N 2 1 365.522 0.727 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345508 1224836665 /nfs/dbraw/zinc/83/66/65/1224836665.db2.gz YJVVDBLFYKLFMM-ZACQAIPSSA-N 2 1 366.510 0.177 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220345508 1224836667 /nfs/dbraw/zinc/83/66/67/1224836667.db2.gz YJVVDBLFYKLFMM-ZACQAIPSSA-N 2 1 366.510 0.177 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355562 1224840952 /nfs/dbraw/zinc/84/09/52/1224840952.db2.gz UWAVJPJCJWCLJU-JQHSSLGASA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355562 1224840958 /nfs/dbraw/zinc/84/09/58/1224840958.db2.gz UWAVJPJCJWCLJU-JQHSSLGASA-N 2 1 364.490 0.732 20 0 FCADMP CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2)C1 ZINC001091401232 1204664908 /nfs/dbraw/zinc/66/49/08/1204664908.db2.gz WNZOVTXNJNMXCW-ZTFGCOKTSA-N 2 1 362.474 0.890 20 0 FCADMP CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2)C1 ZINC001091401232 1204664914 /nfs/dbraw/zinc/66/49/14/1204664914.db2.gz WNZOVTXNJNMXCW-ZTFGCOKTSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2)C1 ZINC001091401232 1204664918 /nfs/dbraw/zinc/66/49/18/1204664918.db2.gz WNZOVTXNJNMXCW-ZTFGCOKTSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2)C1 ZINC001091401232 1204664922 /nfs/dbraw/zinc/66/49/22/1204664922.db2.gz WNZOVTXNJNMXCW-ZTFGCOKTSA-N 2 1 362.474 0.890 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544238 1204707540 /nfs/dbraw/zinc/70/75/40/1204707540.db2.gz XEHAJBMGDCOLOJ-VCBZYWHSSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544238 1204707551 /nfs/dbraw/zinc/70/75/51/1204707551.db2.gz XEHAJBMGDCOLOJ-VCBZYWHSSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001091544238 1204707561 /nfs/dbraw/zinc/70/75/61/1204707561.db2.gz XEHAJBMGDCOLOJ-VCBZYWHSSA-N 2 1 362.474 0.010 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565081 1204725587 /nfs/dbraw/zinc/72/55/87/1204725587.db2.gz DRHDZMVOVPIOLS-AYBZRNKSSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565081 1204725590 /nfs/dbraw/zinc/72/55/90/1204725590.db2.gz DRHDZMVOVPIOLS-AYBZRNKSSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565081 1204725597 /nfs/dbraw/zinc/72/55/97/1204725597.db2.gz DRHDZMVOVPIOLS-AYBZRNKSSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565081 1204725602 /nfs/dbraw/zinc/72/56/02/1204725602.db2.gz DRHDZMVOVPIOLS-AYBZRNKSSA-N 2 1 361.490 0.074 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@@H]1O)[NH+](C)C ZINC001220379795 1224850284 /nfs/dbraw/zinc/85/02/84/1224850284.db2.gz GQFFBLSMFDCPDI-SQNIBIBYSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@@H]1O)[NH+](C)C ZINC001220379795 1224850287 /nfs/dbraw/zinc/85/02/87/1224850287.db2.gz GQFFBLSMFDCPDI-SQNIBIBYSA-N 2 1 365.474 0.576 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387685 1224854146 /nfs/dbraw/zinc/85/41/46/1224854146.db2.gz NWXLNMNXAQJOHE-KSZLIROESA-N 2 1 371.522 0.464 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738160 1204837677 /nfs/dbraw/zinc/83/76/77/1204837677.db2.gz RMKLGWSQABDJON-SUMDDJOVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738160 1204837678 /nfs/dbraw/zinc/83/76/78/1204837678.db2.gz RMKLGWSQABDJON-SUMDDJOVSA-N 2 1 360.506 0.919 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738285 1204837871 /nfs/dbraw/zinc/83/78/71/1204837871.db2.gz SZRWZKNJDFWIOS-CLCXKQKWSA-N 2 1 359.474 0.629 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738285 1204837874 /nfs/dbraw/zinc/83/78/74/1204837874.db2.gz SZRWZKNJDFWIOS-CLCXKQKWSA-N 2 1 359.474 0.629 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001091738295 1204837943 /nfs/dbraw/zinc/83/79/43/1204837943.db2.gz TZJTYLCVSPYTOW-BPAFIMBUSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741098 1204838379 /nfs/dbraw/zinc/83/83/79/1204838379.db2.gz ZXJKFKUILDLSNE-MDOVXXIYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741098 1204838382 /nfs/dbraw/zinc/83/83/82/1204838382.db2.gz ZXJKFKUILDLSNE-MDOVXXIYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741098 1204838384 /nfs/dbraw/zinc/83/83/84/1204838384.db2.gz ZXJKFKUILDLSNE-MDOVXXIYSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091754208 1204844012 /nfs/dbraw/zinc/84/40/12/1204844012.db2.gz IYQYDTAIWKUHET-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091754208 1204844014 /nfs/dbraw/zinc/84/40/14/1204844014.db2.gz IYQYDTAIWKUHET-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)n1 ZINC001086880179 1204855511 /nfs/dbraw/zinc/85/55/11/1204855511.db2.gz NEOQPLGFUZVCGF-LZLYRXPVSA-N 2 1 363.506 0.998 20 0 FCADMP CCn1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)n1 ZINC001086880179 1204855515 /nfs/dbraw/zinc/85/55/15/1204855515.db2.gz NEOQPLGFUZVCGF-LZLYRXPVSA-N 2 1 363.506 0.998 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001086875600 1204858949 /nfs/dbraw/zinc/85/89/49/1204858949.db2.gz YLOHIQMKVKUNLT-RRFJBIMHSA-N 2 1 363.458 0.975 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087035062 1204911214 /nfs/dbraw/zinc/91/12/14/1204911214.db2.gz JXSXAZOASYQCNS-VNQPRFMTSA-N 2 1 366.462 0.731 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059693 1204944043 /nfs/dbraw/zinc/94/40/43/1204944043.db2.gz QLYXERHISKICJN-CRAIPNDOSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087063222 1204950351 /nfs/dbraw/zinc/95/03/51/1204950351.db2.gz OAKPFELPUPNCSV-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087066833 1204956134 /nfs/dbraw/zinc/95/61/34/1204956134.db2.gz WYGDGXPIESWINA-IAGOWNOFSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083349 1204971556 /nfs/dbraw/zinc/97/15/56/1204971556.db2.gz AMTPJLGRHGILOH-ZMSDIMECSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083971 1204973049 /nfs/dbraw/zinc/97/30/49/1204973049.db2.gz ZXZCRJLHFHWZKF-NUEKZKHPSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083971 1204973051 /nfs/dbraw/zinc/97/30/51/1204973051.db2.gz ZXZCRJLHFHWZKF-NUEKZKHPSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087100943 1204998554 /nfs/dbraw/zinc/99/85/54/1204998554.db2.gz MCPCUEJOCYPBEJ-JFIYKMOQSA-N 2 1 363.506 0.808 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087101316 1205000218 /nfs/dbraw/zinc/00/02/18/1205000218.db2.gz FEEPNKQONFYQAI-NVXWUHKLSA-N 2 1 360.462 0.578 20 0 FCADMP Cc1c(C(=O)N2C[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807474 1205020644 /nfs/dbraw/zinc/02/06/44/1205020644.db2.gz FWZLYJOBFPHLAR-LPMFXHHGSA-N 2 1 355.442 0.910 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091818420 1205041286 /nfs/dbraw/zinc/04/12/86/1205041286.db2.gz GFHYUMZEXHLGLW-AEFFLSMTSA-N 2 1 358.490 0.687 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001091857561 1205052794 /nfs/dbraw/zinc/05/27/94/1205052794.db2.gz MFHCNNKVWKJVJU-MDZRGWNJSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001091857561 1205052797 /nfs/dbraw/zinc/05/27/97/1205052797.db2.gz MFHCNNKVWKJVJU-MDZRGWNJSA-N 2 1 369.473 0.751 20 0 FCADMP C[C@]12CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001091860851 1205054716 /nfs/dbraw/zinc/05/47/16/1205054716.db2.gz LLXULWISMUCDSP-ZTQAJYAQSA-N 2 1 371.485 0.431 20 0 FCADMP C[C@]12CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091860851 1205054721 /nfs/dbraw/zinc/05/47/21/1205054721.db2.gz LLXULWISMUCDSP-ZTQAJYAQSA-N 2 1 371.485 0.431 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnnn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953273 1205089566 /nfs/dbraw/zinc/08/95/66/1205089566.db2.gz FSWWVJJWVGWGHW-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnnn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953273 1205089570 /nfs/dbraw/zinc/08/95/70/1205089570.db2.gz FSWWVJJWVGWGHW-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953273 1205089576 /nfs/dbraw/zinc/08/95/76/1205089576.db2.gz FSWWVJJWVGWGHW-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953273 1205089580 /nfs/dbraw/zinc/08/95/80/1205089580.db2.gz FSWWVJJWVGWGHW-GGXPGOJBSA-N 2 1 360.506 0.826 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CC1 ZINC001091974338 1205105499 /nfs/dbraw/zinc/10/54/99/1205105499.db2.gz ASQFCWOWIWDYDM-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011223 1205112458 /nfs/dbraw/zinc/11/24/58/1205112458.db2.gz UHKWUKFJVXEYNU-FCEWJHQRSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011223 1205112461 /nfs/dbraw/zinc/11/24/61/1205112461.db2.gz UHKWUKFJVXEYNU-FCEWJHQRSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011223 1205112466 /nfs/dbraw/zinc/11/24/66/1205112466.db2.gz UHKWUKFJVXEYNU-FCEWJHQRSA-N 2 1 363.506 0.276 20 0 FCADMP O=C(NC[C@H]1COCC[NH2+]1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431612 1224870218 /nfs/dbraw/zinc/87/02/18/1224870218.db2.gz KWGMCNRRGCFEFM-SVFBPWRDSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1COCCN1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431612 1224870223 /nfs/dbraw/zinc/87/02/23/1224870223.db2.gz KWGMCNRRGCFEFM-SVFBPWRDSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1COCCN1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220431612 1224870224 /nfs/dbraw/zinc/87/02/24/1224870224.db2.gz KWGMCNRRGCFEFM-SVFBPWRDSA-N 2 1 372.513 0.593 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071566 1205135116 /nfs/dbraw/zinc/13/51/16/1205135116.db2.gz BBKTXZDYSWAVKQ-MDYRTPRTSA-N 2 1 364.534 0.975 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092130949 1205169318 /nfs/dbraw/zinc/16/93/18/1205169318.db2.gz JVYOXNLWMWBYAA-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092205604 1205197605 /nfs/dbraw/zinc/19/76/05/1205197605.db2.gz AILUKKQOMBTTDT-ZTQAJYAQSA-N 2 1 371.485 0.772 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)C1=O ZINC001092301476 1205234558 /nfs/dbraw/zinc/23/45/58/1205234558.db2.gz JZGSMJBCNYLJQI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286762 1205252229 /nfs/dbraw/zinc/25/22/29/1205252229.db2.gz LEBUGGGATBYPKF-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286762 1205252231 /nfs/dbraw/zinc/25/22/31/1205252231.db2.gz LEBUGGGATBYPKF-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286762 1205252234 /nfs/dbraw/zinc/25/22/34/1205252234.db2.gz LEBUGGGATBYPKF-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)C1 ZINC001092286762 1205252236 /nfs/dbraw/zinc/25/22/36/1205252236.db2.gz LEBUGGGATBYPKF-AYBZRNKSSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287022 1205252831 /nfs/dbraw/zinc/25/28/31/1205252831.db2.gz SRXWLLSKMBVIAA-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287022 1205252837 /nfs/dbraw/zinc/25/28/37/1205252837.db2.gz SRXWLLSKMBVIAA-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287022 1205252842 /nfs/dbraw/zinc/25/28/42/1205252842.db2.gz SRXWLLSKMBVIAA-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287022 1205252848 /nfs/dbraw/zinc/25/28/48/1205252848.db2.gz SRXWLLSKMBVIAA-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(C[NH+](CCCO)C3)n3ccnc32)CC[N@@H+]1C ZINC001092373654 1205276752 /nfs/dbraw/zinc/27/67/52/1205276752.db2.gz WNHGWNMZNDTKBJ-ARFHVFGLSA-N 2 1 361.490 0.568 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(C[NH+](CCCO)C3)n3ccnc32)CC[N@H+]1C ZINC001092373654 1205276757 /nfs/dbraw/zinc/27/67/57/1205276757.db2.gz WNHGWNMZNDTKBJ-ARFHVFGLSA-N 2 1 361.490 0.568 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522541 1205302663 /nfs/dbraw/zinc/30/26/63/1205302663.db2.gz QHEWUYXIXMUEJP-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522541 1205302667 /nfs/dbraw/zinc/30/26/67/1205302667.db2.gz QHEWUYXIXMUEJP-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522541 1205302672 /nfs/dbraw/zinc/30/26/72/1205302672.db2.gz QHEWUYXIXMUEJP-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522541 1205302676 /nfs/dbraw/zinc/30/26/76/1205302676.db2.gz QHEWUYXIXMUEJP-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521709 1205302855 /nfs/dbraw/zinc/30/28/55/1205302855.db2.gz BUAWYSPIENRGFK-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521709 1205302860 /nfs/dbraw/zinc/30/28/60/1205302860.db2.gz BUAWYSPIENRGFK-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092521709 1205302864 /nfs/dbraw/zinc/30/28/64/1205302864.db2.gz BUAWYSPIENRGFK-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092521709 1205302868 /nfs/dbraw/zinc/30/28/68/1205302868.db2.gz BUAWYSPIENRGFK-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753512 1205351171 /nfs/dbraw/zinc/35/11/71/1205351171.db2.gz NLCVVFGYNIUOSW-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753512 1205351175 /nfs/dbraw/zinc/35/11/75/1205351175.db2.gz NLCVVFGYNIUOSW-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517154 1224900132 /nfs/dbraw/zinc/90/01/32/1224900132.db2.gz YTDCXQAHPHIHPP-DFOOCIKTSA-N 2 1 363.506 0.966 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)C1 ZINC001220527426 1224907563 /nfs/dbraw/zinc/90/75/63/1224907563.db2.gz JBEJNTGZVVKUIE-KXBFYZLASA-N 2 1 355.486 0.980 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220533902 1224910474 /nfs/dbraw/zinc/91/04/74/1224910474.db2.gz TTWRSNQWVHWIOH-UXHICEINSA-N 3 1 370.497 0.842 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854307 1205936085 /nfs/dbraw/zinc/93/60/85/1205936085.db2.gz FCWYZINHQSLTSB-HLLBOEOZSA-N 2 1 360.502 0.962 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969334 1205968982 /nfs/dbraw/zinc/96/89/82/1205968982.db2.gz KDUDYNUDTSBWCS-ZIAGYGMSSA-N 2 1 363.462 0.314 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969334 1205968985 /nfs/dbraw/zinc/96/89/85/1205968985.db2.gz KDUDYNUDTSBWCS-ZIAGYGMSSA-N 2 1 363.462 0.314 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220547947 1224921037 /nfs/dbraw/zinc/92/10/37/1224921037.db2.gz OVVBOKQXIQSLCP-KSZLIROESA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220547947 1224921039 /nfs/dbraw/zinc/92/10/39/1224921039.db2.gz OVVBOKQXIQSLCP-KSZLIROESA-N 2 1 369.506 0.077 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212744 1206060811 /nfs/dbraw/zinc/06/08/11/1206060811.db2.gz REVLUIGCVQEHKE-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212744 1206060813 /nfs/dbraw/zinc/06/08/13/1206060813.db2.gz REVLUIGCVQEHKE-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212744 1206060815 /nfs/dbraw/zinc/06/08/15/1206060815.db2.gz REVLUIGCVQEHKE-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)C1 ZINC001093212744 1206060818 /nfs/dbraw/zinc/06/08/18/1206060818.db2.gz REVLUIGCVQEHKE-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093223440 1206062607 /nfs/dbraw/zinc/06/26/07/1206062607.db2.gz ZDJLWHQUDHBZQF-OLMNPRSZSA-N 2 1 358.486 0.934 20 0 FCADMP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)cc1=O ZINC001093674215 1206099692 /nfs/dbraw/zinc/09/96/92/1206099692.db2.gz CEFZNKOQLBHVNB-FMKPAKJESA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)CC[N@H+]1C ZINC001093779401 1206122434 /nfs/dbraw/zinc/12/24/34/1206122434.db2.gz GAXWWXRYOUFRDH-JOCBIADPSA-N 2 1 360.502 0.910 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093822583 1206123858 /nfs/dbraw/zinc/12/38/58/1206123858.db2.gz SPDPBXWMKMWJDJ-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093822583 1206123862 /nfs/dbraw/zinc/12/38/62/1206123862.db2.gz SPDPBXWMKMWJDJ-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)ncn1 ZINC001093857726 1206135511 /nfs/dbraw/zinc/13/55/11/1206135511.db2.gz ULSHGVSHGGEKRD-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)ncn1 ZINC001093857726 1206135516 /nfs/dbraw/zinc/13/55/16/1206135516.db2.gz ULSHGVSHGGEKRD-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001093878987 1206141684 /nfs/dbraw/zinc/14/16/84/1206141684.db2.gz KRNTYADEIKYPEU-UKRRQHHQSA-N 2 1 360.462 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093930101 1206151797 /nfs/dbraw/zinc/15/17/97/1206151797.db2.gz HEUKADKBPSUVGM-NQAWJTCLSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093931335 1206152103 /nfs/dbraw/zinc/15/21/03/1206152103.db2.gz PALRFHMQDVKIDR-OHDZGACESA-N 2 1 371.485 0.524 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093987704 1206164764 /nfs/dbraw/zinc/16/47/64/1206164764.db2.gz VAMYFEKJFFNKNH-BZUAXINKSA-N 2 1 363.510 0.516 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)C1 ZINC001093993806 1206165184 /nfs/dbraw/zinc/16/51/84/1206165184.db2.gz UGSZTSHDABVELG-BRWVUGGUSA-N 2 1 361.490 0.770 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)C1 ZINC001093993806 1206165186 /nfs/dbraw/zinc/16/51/86/1206165186.db2.gz UGSZTSHDABVELG-BRWVUGGUSA-N 2 1 361.490 0.770 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001094041921 1206173890 /nfs/dbraw/zinc/17/38/90/1206173890.db2.gz INOSNRFAKNFGHI-ARFHVFGLSA-N 2 1 363.510 0.780 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094041201 1206174295 /nfs/dbraw/zinc/17/42/95/1206174295.db2.gz ZWMDTZHPWQUFHM-QLFBSQMISA-N 2 1 361.494 0.676 20 0 FCADMP Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001094110246 1206185598 /nfs/dbraw/zinc/18/55/98/1206185598.db2.gz CMQSSZFFLQSPDK-IJEWVQPXSA-N 2 1 364.494 0.581 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110153591 1206188147 /nfs/dbraw/zinc/18/81/47/1206188147.db2.gz BPYGBYHANBCTBP-UGUYLWEFSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110153591 1206188150 /nfs/dbraw/zinc/18/81/50/1206188150.db2.gz BPYGBYHANBCTBP-UGUYLWEFSA-N 2 1 362.474 0.389 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)O1 ZINC001094447367 1206228261 /nfs/dbraw/zinc/22/82/61/1206228261.db2.gz RGABWXCDUAOFCQ-YKTARERQSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)O1 ZINC001094447367 1206228264 /nfs/dbraw/zinc/22/82/64/1206228264.db2.gz RGABWXCDUAOFCQ-YKTARERQSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)O1 ZINC001094447367 1206228267 /nfs/dbraw/zinc/22/82/67/1206228267.db2.gz RGABWXCDUAOFCQ-YKTARERQSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)O1 ZINC001094447367 1206228269 /nfs/dbraw/zinc/22/82/69/1206228269.db2.gz RGABWXCDUAOFCQ-YKTARERQSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)CC1 ZINC001094503265 1206234469 /nfs/dbraw/zinc/23/44/69/1206234469.db2.gz DZHVOZUWXWLFFB-IEBWSBKVSA-N 2 1 360.506 0.981 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094561774 1206238049 /nfs/dbraw/zinc/23/80/49/1206238049.db2.gz FLBPUGRFBNGYLR-VQIMIIECSA-N 2 1 359.474 0.868 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC001094557449 1206241235 /nfs/dbraw/zinc/24/12/35/1206241235.db2.gz ZDMKJMCYXBUFMP-YLJYHZDGSA-N 2 1 362.518 0.955 20 0 FCADMP CC(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749743 1206245817 /nfs/dbraw/zinc/24/58/17/1206245817.db2.gz RQOVXVWPBHMJDM-HLLBOEOZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749743 1206245823 /nfs/dbraw/zinc/24/58/23/1206245823.db2.gz RQOVXVWPBHMJDM-HLLBOEOZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500242 1206249392 /nfs/dbraw/zinc/24/93/92/1206249392.db2.gz JKVHXRZPIJUXJV-GVDBMIGSSA-N 2 1 370.538 0.742 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500242 1206249398 /nfs/dbraw/zinc/24/93/98/1206249398.db2.gz JKVHXRZPIJUXJV-GVDBMIGSSA-N 2 1 370.538 0.742 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CCC2 ZINC001172013556 1206254752 /nfs/dbraw/zinc/25/47/52/1206254752.db2.gz JGVQYIKYPCRMKN-MRXNPFEDSA-N 2 1 359.474 0.664 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CCC2 ZINC001172013556 1206254753 /nfs/dbraw/zinc/25/47/53/1206254753.db2.gz JGVQYIKYPCRMKN-MRXNPFEDSA-N 2 1 359.474 0.664 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([NH+]2CCN(CC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173485481 1206273974 /nfs/dbraw/zinc/27/39/74/1206273974.db2.gz FFHBJIBHTPAAJP-ZWKOTPCHSA-N 2 1 374.485 0.409 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749462 1206287235 /nfs/dbraw/zinc/28/72/35/1206287235.db2.gz CQERKFQXAKDMJE-XMTFNYHQSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749462 1206287240 /nfs/dbraw/zinc/28/72/40/1206287240.db2.gz CQERKFQXAKDMJE-XMTFNYHQSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749462 1206287241 /nfs/dbraw/zinc/28/72/41/1206287241.db2.gz CQERKFQXAKDMJE-XMTFNYHQSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749458 1206287407 /nfs/dbraw/zinc/28/74/07/1206287407.db2.gz CQERKFQXAKDMJE-VSZNYVQBSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749458 1206287410 /nfs/dbraw/zinc/28/74/10/1206287410.db2.gz CQERKFQXAKDMJE-VSZNYVQBSA-N 2 1 364.494 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173749458 1206287413 /nfs/dbraw/zinc/28/74/13/1206287413.db2.gz CQERKFQXAKDMJE-VSZNYVQBSA-N 2 1 364.494 0.826 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220573345 1224941270 /nfs/dbraw/zinc/94/12/70/1224941270.db2.gz VCIZYOKNJZQYBU-FGTMMUONSA-N 2 1 365.522 0.490 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110193998 1206311868 /nfs/dbraw/zinc/31/18/68/1206311868.db2.gz KLINERNLBKBZSN-YRXWBPOGSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110193998 1206311871 /nfs/dbraw/zinc/31/18/71/1206311871.db2.gz KLINERNLBKBZSN-YRXWBPOGSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110193998 1206311873 /nfs/dbraw/zinc/31/18/73/1206311873.db2.gz KLINERNLBKBZSN-YRXWBPOGSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110193998 1206311878 /nfs/dbraw/zinc/31/18/78/1206311878.db2.gz KLINERNLBKBZSN-YRXWBPOGSA-N 2 1 361.486 0.847 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220576810 1224943879 /nfs/dbraw/zinc/94/38/79/1224943879.db2.gz RMHUOQDWCJAMEZ-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220576810 1224943886 /nfs/dbraw/zinc/94/38/86/1224943886.db2.gz RMHUOQDWCJAMEZ-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]C[C@H](O)Cn2cccn2)CC[N@H+]1C ZINC001178523446 1206358946 /nfs/dbraw/zinc/35/89/46/1206358946.db2.gz ZMTRACGNWZNJRI-FGTMMUONSA-N 2 1 365.522 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001178527043 1206359069 /nfs/dbraw/zinc/35/90/69/1206359069.db2.gz IIEDEHSXJUAABM-HRCADAONSA-N 2 1 366.506 0.788 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CC1 ZINC001178811396 1206365794 /nfs/dbraw/zinc/36/57/94/1206365794.db2.gz UIIDOGRKVONCIP-HLLBOEOZSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CC1 ZINC001178811396 1206365797 /nfs/dbraw/zinc/36/57/97/1206365797.db2.gz UIIDOGRKVONCIP-HLLBOEOZSA-N 2 1 368.522 0.639 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001178948474 1206368565 /nfs/dbraw/zinc/36/85/65/1206368565.db2.gz LCJAFJGZJUNLQT-RBUKOAKNSA-N 2 1 373.501 0.131 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001178948474 1206368567 /nfs/dbraw/zinc/36/85/67/1206368567.db2.gz LCJAFJGZJUNLQT-RBUKOAKNSA-N 2 1 373.501 0.131 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001182692271 1206442329 /nfs/dbraw/zinc/44/23/29/1206442329.db2.gz GIZLLQZEQNVKKH-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@@H]1C(=O)NC1(C[NH3+])COC1 ZINC001184445613 1206470229 /nfs/dbraw/zinc/47/02/29/1206470229.db2.gz VPYDDXDFYPNVLV-CYBMUJFWSA-N 2 1 370.494 0.550 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512800 1206490447 /nfs/dbraw/zinc/49/04/47/1206490447.db2.gz YDYRISAMLIHXAR-SJORKVTESA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618073 1224970458 /nfs/dbraw/zinc/97/04/58/1224970458.db2.gz DCFIKLFBGQBPDL-XYPHTWIQSA-N 2 1 359.430 0.203 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618073 1224970471 /nfs/dbraw/zinc/97/04/71/1224970471.db2.gz DCFIKLFBGQBPDL-XYPHTWIQSA-N 2 1 359.430 0.203 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001220642939 1224981729 /nfs/dbraw/zinc/98/17/29/1224981729.db2.gz OCOBISNMOICMBF-MSOLQXFVSA-N 2 1 369.506 0.075 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001187971314 1207404537 /nfs/dbraw/zinc/40/45/37/1207404537.db2.gz HWEGMVWLNPHIEQ-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC[NH+]1C ZINC001187971314 1207404540 /nfs/dbraw/zinc/40/45/40/1207404540.db2.gz HWEGMVWLNPHIEQ-WNRNVDISSA-N 2 1 362.518 0.776 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405644 1207454692 /nfs/dbraw/zinc/45/46/92/1207454692.db2.gz LQDXASNWVTZCSF-CGTJXYLNSA-N 2 1 371.485 0.719 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925843 1207487165 /nfs/dbraw/zinc/48/71/65/1207487165.db2.gz FDAJZBPJPSPZRC-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925843 1207487166 /nfs/dbraw/zinc/48/71/66/1207487166.db2.gz FDAJZBPJPSPZRC-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925843 1207487168 /nfs/dbraw/zinc/48/71/68/1207487168.db2.gz FDAJZBPJPSPZRC-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925843 1207487169 /nfs/dbraw/zinc/48/71/69/1207487169.db2.gz FDAJZBPJPSPZRC-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971562 1207492898 /nfs/dbraw/zinc/49/28/98/1207492898.db2.gz WLZHVOHIPHPLIW-GVDBMIGSSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001188978755 1207496926 /nfs/dbraw/zinc/49/69/26/1207496926.db2.gz FDXVRWAPZYKEOV-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127440 1207509362 /nfs/dbraw/zinc/50/93/62/1207509362.db2.gz VYPBFYCYWYVBFN-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127440 1207509370 /nfs/dbraw/zinc/50/93/70/1207509370.db2.gz VYPBFYCYWYVBFN-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127440 1207509375 /nfs/dbraw/zinc/50/93/75/1207509375.db2.gz VYPBFYCYWYVBFN-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001189127440 1207509382 /nfs/dbraw/zinc/50/93/82/1207509382.db2.gz VYPBFYCYWYVBFN-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189127327 1207509667 /nfs/dbraw/zinc/50/96/67/1207509667.db2.gz UKWNTENGGLAKGV-FCEWJHQRSA-N 2 1 371.497 0.741 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001189127327 1207509676 /nfs/dbraw/zinc/50/96/76/1207509676.db2.gz UKWNTENGGLAKGV-FCEWJHQRSA-N 2 1 371.497 0.741 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001189127327 1207509681 /nfs/dbraw/zinc/50/96/81/1207509681.db2.gz UKWNTENGGLAKGV-FCEWJHQRSA-N 2 1 371.497 0.741 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820193 1207606373 /nfs/dbraw/zinc/60/63/73/1207606373.db2.gz VJUYWSIXTBOYNI-YESZJQIVSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820193 1207606376 /nfs/dbraw/zinc/60/63/76/1207606376.db2.gz VJUYWSIXTBOYNI-YESZJQIVSA-N 2 1 368.522 0.258 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189913667 1207620151 /nfs/dbraw/zinc/62/01/51/1207620151.db2.gz UUTXXHBHBICCAB-RCCFBDPRSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189913667 1207620154 /nfs/dbraw/zinc/62/01/54/1207620154.db2.gz UUTXXHBHBICCAB-RCCFBDPRSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189913667 1207620156 /nfs/dbraw/zinc/62/01/56/1207620156.db2.gz UUTXXHBHBICCAB-RCCFBDPRSA-N 2 1 371.522 0.275 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001190177440 1207658540 /nfs/dbraw/zinc/65/85/40/1207658540.db2.gz MDTRBBZTZQJQMQ-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001190177440 1207658549 /nfs/dbraw/zinc/65/85/49/1207658549.db2.gz MDTRBBZTZQJQMQ-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001190247826 1207667573 /nfs/dbraw/zinc/66/75/73/1207667573.db2.gz SXIKMAMKMFUOQS-SOUVJXGZSA-N 2 1 363.462 0.876 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317203 1207674564 /nfs/dbraw/zinc/67/45/64/1207674564.db2.gz FIJFGBSFPOCHES-IPMKNSEASA-N 2 1 361.486 0.902 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486310 1207688217 /nfs/dbraw/zinc/68/82/17/1207688217.db2.gz ALVHUQVRHVJRBE-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486310 1207688227 /nfs/dbraw/zinc/68/82/27/1207688227.db2.gz ALVHUQVRHVJRBE-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486310 1207688230 /nfs/dbraw/zinc/68/82/30/1207688230.db2.gz ALVHUQVRHVJRBE-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486310 1207688233 /nfs/dbraw/zinc/68/82/33/1207688233.db2.gz ALVHUQVRHVJRBE-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP CCc1ccc([C@H](O)C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)cc1 ZINC001220688813 1225016216 /nfs/dbraw/zinc/01/62/16/1225016216.db2.gz QQIPNNACHKXFNI-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)cc1 ZINC001220688813 1225016226 /nfs/dbraw/zinc/01/62/26/1225016226.db2.gz QQIPNNACHKXFNI-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)cc1 ZINC001220688813 1225016235 /nfs/dbraw/zinc/01/62/35/1225016235.db2.gz QQIPNNACHKXFNI-QRVBRYPASA-N 2 1 363.502 0.786 20 0 FCADMP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444896 1207833244 /nfs/dbraw/zinc/83/32/44/1207833244.db2.gz IYLKKBYYWLRYPP-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444896 1207833245 /nfs/dbraw/zinc/83/32/45/1207833245.db2.gz IYLKKBYYWLRYPP-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444896 1207833247 /nfs/dbraw/zinc/83/32/47/1207833247.db2.gz IYLKKBYYWLRYPP-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444896 1207833250 /nfs/dbraw/zinc/83/32/50/1207833250.db2.gz IYLKKBYYWLRYPP-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001193447011 1207873134 /nfs/dbraw/zinc/87/31/34/1207873134.db2.gz HBSAKOJMXRYZRL-BRWVUGGUSA-N 2 1 369.485 0.341 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001193447011 1207873137 /nfs/dbraw/zinc/87/31/37/1207873137.db2.gz HBSAKOJMXRYZRL-BRWVUGGUSA-N 2 1 369.485 0.341 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193737640 1207886458 /nfs/dbraw/zinc/88/64/58/1207886458.db2.gz DHTRCHQAFBZGTQ-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193737640 1207886459 /nfs/dbraw/zinc/88/64/59/1207886459.db2.gz DHTRCHQAFBZGTQ-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193737640 1207886462 /nfs/dbraw/zinc/88/64/62/1207886462.db2.gz DHTRCHQAFBZGTQ-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)C1CC1 ZINC001193791642 1207889298 /nfs/dbraw/zinc/88/92/98/1207889298.db2.gz NVLKKXAQSCNMLN-KURKYZTESA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)C1CC1 ZINC001193791642 1207889299 /nfs/dbraw/zinc/88/92/99/1207889299.db2.gz NVLKKXAQSCNMLN-KURKYZTESA-N 2 1 365.449 0.706 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792081 1207889394 /nfs/dbraw/zinc/88/93/94/1207889394.db2.gz WKINOSPZDNXPSF-ZHALLVOQSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792081 1207889396 /nfs/dbraw/zinc/88/93/96/1207889396.db2.gz WKINOSPZDNXPSF-ZHALLVOQSA-N 2 1 361.486 0.875 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O)C1CC1 ZINC001193791727 1207889561 /nfs/dbraw/zinc/88/95/61/1207889561.db2.gz PQINDGYUNDIZOQ-QRVBRYPASA-N 2 1 361.486 0.705 20 0 FCADMP CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001193754907 1207889896 /nfs/dbraw/zinc/88/98/96/1207889896.db2.gz CYJMLTLDOYDYDW-BRWVUGGUSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001193754907 1207889897 /nfs/dbraw/zinc/88/98/97/1207889897.db2.gz CYJMLTLDOYDYDW-BRWVUGGUSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001193754907 1207889900 /nfs/dbraw/zinc/88/99/00/1207889900.db2.gz CYJMLTLDOYDYDW-BRWVUGGUSA-N 2 1 363.506 0.411 20 0 FCADMP CC[N@@H+](C)CC(=O)N1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001273665655 1207893326 /nfs/dbraw/zinc/89/33/26/1207893326.db2.gz ARHSTUKVLISHDO-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC001193902588 1207898242 /nfs/dbraw/zinc/89/82/42/1207898242.db2.gz UJFGLTTXCWTJHM-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001193902588 1207898243 /nfs/dbraw/zinc/89/82/43/1207898243.db2.gz UJFGLTTXCWTJHM-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)n1 ZINC001193902588 1207898244 /nfs/dbraw/zinc/89/82/44/1207898244.db2.gz UJFGLTTXCWTJHM-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)n1 ZINC001193902588 1207898246 /nfs/dbraw/zinc/89/82/46/1207898246.db2.gz UJFGLTTXCWTJHM-BZUAXINKSA-N 2 1 365.478 0.346 20 0 FCADMP C[NH+]1CCN(c2cncc(C(=O)NCCN3CCC[N@@H+](C)CC3)c2)CC1 ZINC001193951444 1207900326 /nfs/dbraw/zinc/90/03/26/1207900326.db2.gz IWPSIEKOAJOOFP-UHFFFAOYSA-N 2 1 360.506 0.201 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102326 1207919127 /nfs/dbraw/zinc/91/91/27/1207919127.db2.gz IAAAASUZIQSWDX-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103153 1207919549 /nfs/dbraw/zinc/91/95/49/1207919549.db2.gz VQAYZDRFDBIKCE-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103153 1207919550 /nfs/dbraw/zinc/91/95/50/1207919550.db2.gz VQAYZDRFDBIKCE-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001194102746 1207919559 /nfs/dbraw/zinc/91/95/59/1207919559.db2.gz OXQYMGVBWLSROD-IAGOWNOFSA-N 2 1 367.534 0.942 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001220716430 1225032770 /nfs/dbraw/zinc/03/27/70/1225032770.db2.gz HOIZYTKZORJWLV-FJIDUMEYSA-N 2 1 358.486 0.804 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194605190 1207965052 /nfs/dbraw/zinc/96/50/52/1207965052.db2.gz ZHLOWWBDIQAOKQ-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221675 1208010714 /nfs/dbraw/zinc/01/07/14/1208010714.db2.gz AYJYTWBASVMLSO-GVDBMIGSSA-N 2 1 371.522 0.056 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221675 1208010717 /nfs/dbraw/zinc/01/07/17/1208010717.db2.gz AYJYTWBASVMLSO-GVDBMIGSSA-N 2 1 371.522 0.056 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195678111 1208033231 /nfs/dbraw/zinc/03/32/31/1208033231.db2.gz YTYZVGBUHSOCNK-IAGOWNOFSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195678111 1208033236 /nfs/dbraw/zinc/03/32/36/1208033236.db2.gz YTYZVGBUHSOCNK-IAGOWNOFSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001195660898 1208033883 /nfs/dbraw/zinc/03/38/83/1208033883.db2.gz BDSRYOPJRSCSNJ-KZNAEPCWSA-N 2 1 361.486 0.093 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195708070 1208036118 /nfs/dbraw/zinc/03/61/18/1208036118.db2.gz DHGMGJMQVPBRPO-GVDBMIGSSA-N 2 1 370.538 0.523 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195708070 1208036119 /nfs/dbraw/zinc/03/61/19/1208036119.db2.gz DHGMGJMQVPBRPO-GVDBMIGSSA-N 2 1 370.538 0.523 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001195701410 1208036197 /nfs/dbraw/zinc/03/61/97/1208036197.db2.gz MKBTZQIFYMRHJJ-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O)[NH+](CC)CC ZINC001196122868 1208059289 /nfs/dbraw/zinc/05/92/89/1208059289.db2.gz HYSXRAKMLGWFEF-OWCLPIDISA-N 2 1 367.494 0.592 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O)[NH+](CC)CC ZINC001196122868 1208059293 /nfs/dbraw/zinc/05/92/93/1208059293.db2.gz HYSXRAKMLGWFEF-OWCLPIDISA-N 2 1 367.494 0.592 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001196169600 1208064044 /nfs/dbraw/zinc/06/40/44/1208064044.db2.gz VYGYCWWKLDGPPP-CGTJXYLNSA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001196169600 1208064049 /nfs/dbraw/zinc/06/40/49/1208064049.db2.gz VYGYCWWKLDGPPP-CGTJXYLNSA-N 2 1 364.490 0.730 20 0 FCADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826824 1208111456 /nfs/dbraw/zinc/11/14/56/1208111456.db2.gz JVTPNNHHABSJMO-ZTFGCOKTSA-N 2 1 364.490 0.956 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001196939964 1208124230 /nfs/dbraw/zinc/12/42/30/1208124230.db2.gz OVVBOKQXIQSLCP-RCCFBDPRSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001196939964 1208124233 /nfs/dbraw/zinc/12/42/33/1208124233.db2.gz OVVBOKQXIQSLCP-RCCFBDPRSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1O ZINC001196953993 1208124723 /nfs/dbraw/zinc/12/47/23/1208124723.db2.gz MLHDUZITROTYAM-RTBURBONSA-N 2 1 361.486 0.503 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1O ZINC001196953993 1208124724 /nfs/dbraw/zinc/12/47/24/1208124724.db2.gz MLHDUZITROTYAM-RTBURBONSA-N 2 1 361.486 0.503 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197057552 1208132368 /nfs/dbraw/zinc/13/23/68/1208132368.db2.gz DGBMTGUQNOZYCB-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197057552 1208132370 /nfs/dbraw/zinc/13/23/70/1208132370.db2.gz DGBMTGUQNOZYCB-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)cc1 ZINC001197058777 1208132544 /nfs/dbraw/zinc/13/25/44/1208132544.db2.gz ZTBFMUNCESZOSQ-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)cc1 ZINC001197058777 1208132546 /nfs/dbraw/zinc/13/25/46/1208132546.db2.gz ZTBFMUNCESZOSQ-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197954934 1208209349 /nfs/dbraw/zinc/20/93/49/1208209349.db2.gz GWHXNCHAKHQLAV-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001197954934 1208209350 /nfs/dbraw/zinc/20/93/50/1208209350.db2.gz GWHXNCHAKHQLAV-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001198671581 1208281702 /nfs/dbraw/zinc/28/17/02/1208281702.db2.gz GGZNWOSYMYVOOP-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001198671581 1208281706 /nfs/dbraw/zinc/28/17/06/1208281706.db2.gz GGZNWOSYMYVOOP-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057517 1208314383 /nfs/dbraw/zinc/31/43/83/1208314383.db2.gz LQENEDSLWBKIGF-KZNAEPCWSA-N 2 1 371.522 0.057 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(C)C ZINC001199103892 1208318465 /nfs/dbraw/zinc/31/84/65/1208318465.db2.gz DNWLXCFISDVVIL-BRWVUGGUSA-N 2 1 370.538 0.522 20 0 FCADMP C[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CN(C(=O)[C@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273834289 1208409439 /nfs/dbraw/zinc/40/94/39/1208409439.db2.gz CMYWYXXZDOVPCX-IAGOWNOFSA-N 2 1 360.502 0.483 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1C ZINC001220768377 1225062833 /nfs/dbraw/zinc/06/28/33/1225062833.db2.gz JEXPSOCHNMPJAP-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1C ZINC001220768377 1225062838 /nfs/dbraw/zinc/06/28/38/1225062838.db2.gz JEXPSOCHNMPJAP-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001220768341 1225063698 /nfs/dbraw/zinc/06/36/98/1225063698.db2.gz HRTWBHLKXROMDK-SJORKVTESA-N 2 1 371.428 0.247 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001220768341 1225063706 /nfs/dbraw/zinc/06/37/06/1225063706.db2.gz HRTWBHLKXROMDK-SJORKVTESA-N 2 1 371.428 0.247 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230014 1208449116 /nfs/dbraw/zinc/44/91/16/1208449116.db2.gz LQULYNCIOOMANG-BFYDXBDKSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230014 1208449120 /nfs/dbraw/zinc/44/91/20/1208449120.db2.gz LQULYNCIOOMANG-BFYDXBDKSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCN3CCCC3=O)CC2)O1 ZINC001201230270 1208449251 /nfs/dbraw/zinc/44/92/51/1208449251.db2.gz MYCHLDAEBGAAAX-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCCN3CCCC3=O)CC2)O1 ZINC001201230270 1208449253 /nfs/dbraw/zinc/44/92/53/1208449253.db2.gz MYCHLDAEBGAAAX-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230015 1208449377 /nfs/dbraw/zinc/44/93/77/1208449377.db2.gz LQULYNCIOOMANG-HLLBOEOZSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230015 1208449379 /nfs/dbraw/zinc/44/93/79/1208449379.db2.gz LQULYNCIOOMANG-HLLBOEOZSA-N 2 1 368.522 0.447 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001489052089 1208621896 /nfs/dbraw/zinc/62/18/96/1208621896.db2.gz DTGFBXRUTOOXDN-KFWWJZLASA-N 2 1 351.499 0.830 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001489052089 1208621900 /nfs/dbraw/zinc/62/19/00/1208621900.db2.gz DTGFBXRUTOOXDN-KFWWJZLASA-N 2 1 351.499 0.830 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001489201312 1208662532 /nfs/dbraw/zinc/66/25/32/1208662532.db2.gz RIUYSEXGGHSXFK-SQNIBIBYSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000851883629 1209523662 /nfs/dbraw/zinc/52/36/62/1209523662.db2.gz WSZLQKQAEMYIRJ-KPFFTGBYSA-N 2 1 360.502 0.317 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926560 1225144475 /nfs/dbraw/zinc/14/44/75/1225144475.db2.gz RINQJJWINAMQJU-LJQANCHMSA-N 2 1 374.533 0.160 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCc3ncnn32)CCC1 ZINC001110664933 1209592109 /nfs/dbraw/zinc/59/21/09/1209592109.db2.gz FMHJZFJUKRGJRI-FPCVCCKLSA-N 2 1 358.490 0.971 20 0 FCADMP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110672368 1209603580 /nfs/dbraw/zinc/60/35/80/1209603580.db2.gz RYPUKOIQUUWMAE-ZACQAIPSSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001110673547 1209608050 /nfs/dbraw/zinc/60/80/50/1209608050.db2.gz FVMDQRXKSCAXDE-VQHPVUNQSA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001110673547 1209608054 /nfs/dbraw/zinc/60/80/54/1209608054.db2.gz FVMDQRXKSCAXDE-VQHPVUNQSA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21)C1CCC1 ZINC001110673547 1209608058 /nfs/dbraw/zinc/60/80/58/1209608058.db2.gz FVMDQRXKSCAXDE-VQHPVUNQSA-N 2 1 358.490 0.971 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001110746472 1209788690 /nfs/dbraw/zinc/78/86/90/1209788690.db2.gz OPSMLNPYYSJFBS-WCXIOVBPSA-N 2 1 357.458 0.518 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001110746472 1209788693 /nfs/dbraw/zinc/78/86/93/1209788693.db2.gz OPSMLNPYYSJFBS-WCXIOVBPSA-N 2 1 357.458 0.518 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746739 1209792099 /nfs/dbraw/zinc/79/20/99/1209792099.db2.gz BXCWYULNJBLUQI-XDNAFOTISA-N 2 1 362.474 0.637 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)ccc2c[nH+]cn21 ZINC001110748421 1209793496 /nfs/dbraw/zinc/79/34/96/1209793496.db2.gz CEJUQXZTKVVJHQ-OLMNPRSZSA-N 2 1 358.442 0.987 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)C(F)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000868535292 1210068635 /nfs/dbraw/zinc/06/86/35/1210068635.db2.gz RBQSOUMWCVCEJF-OALUTQOASA-N 2 1 366.481 0.433 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)CC23CCOCC3)CC1 ZINC000872290076 1210185929 /nfs/dbraw/zinc/18/59/29/1210185929.db2.gz WCUVMQVHQSMQON-UHFFFAOYSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)CC23CCOCC3)CC1 ZINC000872290076 1210185934 /nfs/dbraw/zinc/18/59/34/1210185934.db2.gz WCUVMQVHQSMQON-UHFFFAOYSA-N 2 1 366.506 0.347 20 0 FCADMP CCC(CC)[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068219 1225207723 /nfs/dbraw/zinc/20/77/23/1225207723.db2.gz TUNHSBNFGHQZQG-QBBQCFRVSA-N 2 1 371.522 0.745 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000878702633 1210463524 /nfs/dbraw/zinc/46/35/24/1210463524.db2.gz JNFUCQMMIHNURO-CRAIPNDOSA-N 2 1 362.474 0.052 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000878702633 1210463526 /nfs/dbraw/zinc/46/35/26/1210463526.db2.gz JNFUCQMMIHNURO-CRAIPNDOSA-N 2 1 362.474 0.052 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696410 1210495507 /nfs/dbraw/zinc/49/55/07/1210495507.db2.gz PGQZTFDVLXBULT-YSHGAJCASA-N 2 1 361.486 0.298 20 0 FCADMP O=C(C[NH+]1CC[C@@H](CF)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880292767 1210525518 /nfs/dbraw/zinc/52/55/18/1210525518.db2.gz VKLXNZNORZJIIO-IYBDPMFKSA-N 2 1 372.460 0.240 20 0 FCADMP O=C(C[NH+]1CC[C@H](CF)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC000880292767 1210525528 /nfs/dbraw/zinc/52/55/28/1210525528.db2.gz VKLXNZNORZJIIO-IYBDPMFKSA-N 2 1 372.460 0.240 20 0 FCADMP O=C(C[NH+]1CC[C@H](CF)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880292767 1210525539 /nfs/dbraw/zinc/52/55/39/1210525539.db2.gz VKLXNZNORZJIIO-IYBDPMFKSA-N 2 1 372.460 0.240 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+]([C@H](C)CC[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311333 1210528701 /nfs/dbraw/zinc/52/87/01/1210528701.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 2 1 362.518 0.585 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](CC[C@@H](C)[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311333 1210528707 /nfs/dbraw/zinc/52/87/07/1210528707.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 2 1 362.518 0.585 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](CC[C@@H](C)[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311333 1210528710 /nfs/dbraw/zinc/52/87/10/1210528710.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 2 1 362.518 0.585 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883604932 1210673667 /nfs/dbraw/zinc/67/36/67/1210673667.db2.gz HPQBAYKKIMENTC-SFHVURJKSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883606128 1210673677 /nfs/dbraw/zinc/67/36/77/1210673677.db2.gz JNHCXRVKRVICGK-WMLDXEAASA-N 2 1 359.474 0.715 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883605616 1210673727 /nfs/dbraw/zinc/67/37/27/1210673727.db2.gz XZRRXMWXYRNRDD-WMLDXEAASA-N 2 1 357.458 0.469 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1C[NH2+]C1 ZINC000883609299 1210674417 /nfs/dbraw/zinc/67/44/17/1210674417.db2.gz SNRNFKZBDXQVEN-MRXNPFEDSA-N 2 1 357.458 0.340 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883608986 1210674617 /nfs/dbraw/zinc/67/46/17/1210674617.db2.gz LSFTYZRWDHGTJZ-YOEHRIQHSA-N 2 1 359.474 0.763 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883612108 1210675047 /nfs/dbraw/zinc/67/50/47/1210675047.db2.gz SLXCODKXKDWHFD-JQHSSLGASA-N 2 1 369.469 0.482 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611731 1210675093 /nfs/dbraw/zinc/67/50/93/1210675093.db2.gz HTJORRKZYHADKG-RVKKMQEKSA-N 2 1 371.485 0.858 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611730 1210675273 /nfs/dbraw/zinc/67/52/73/1210675273.db2.gz HTJORRKZYHADKG-RKVPGOIHSA-N 2 1 371.485 0.858 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000883647933 1210679398 /nfs/dbraw/zinc/67/93/98/1210679398.db2.gz ISNCXHVVWQBMHB-SJLPKXTDSA-N 2 1 374.485 0.721 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000883655822 1210680840 /nfs/dbraw/zinc/68/08/40/1210680840.db2.gz MYSKYBAWBGHKIX-SFHVURJKSA-N 2 1 374.485 0.721 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000883655822 1210680843 /nfs/dbraw/zinc/68/08/43/1210680843.db2.gz MYSKYBAWBGHKIX-SFHVURJKSA-N 2 1 374.485 0.721 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000884503466 1210740348 /nfs/dbraw/zinc/74/03/48/1210740348.db2.gz LZLPSKMROZPVNA-KBAYOESNSA-N 2 1 358.486 0.615 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884532972 1210745665 /nfs/dbraw/zinc/74/56/65/1210745665.db2.gz VWRYLQKFZDMBHY-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000884539492 1210746319 /nfs/dbraw/zinc/74/63/19/1210746319.db2.gz BSOPNVKWNLKHNJ-PBHICJAKSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000884545084 1210747599 /nfs/dbraw/zinc/74/75/99/1210747599.db2.gz YDDDDEWLPKAGJQ-BEFAXECRSA-N 2 1 368.522 0.294 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000884553853 1210749470 /nfs/dbraw/zinc/74/94/70/1210749470.db2.gz IRJAGCGQCSCSFX-CZUORRHYSA-N 2 1 356.470 0.690 20 0 FCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884572854 1210754519 /nfs/dbraw/zinc/75/45/19/1210754519.db2.gz XCYMKPXUEXTYSJ-ULQDDVLXSA-N 2 1 374.510 0.293 20 0 FCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884572854 1210754523 /nfs/dbraw/zinc/75/45/23/1210754523.db2.gz XCYMKPXUEXTYSJ-ULQDDVLXSA-N 2 1 374.510 0.293 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572912 1210754937 /nfs/dbraw/zinc/75/49/37/1210754937.db2.gz YUUGYHZXZCLJQE-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884577326 1210755447 /nfs/dbraw/zinc/75/54/47/1210755447.db2.gz CJFNPLLLAOCSJD-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884601817 1210760174 /nfs/dbraw/zinc/76/01/74/1210760174.db2.gz WGTUHPHUGCFOIS-BBTUJRGHSA-N 2 1 370.497 0.693 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(N2CCCC2)[nH+]1 ZINC000884622083 1210764342 /nfs/dbraw/zinc/76/43/42/1210764342.db2.gz DKBJHVCAIRZWCA-SJORKVTESA-N 2 1 371.485 0.959 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670429 1210775483 /nfs/dbraw/zinc/77/54/83/1210775483.db2.gz ZPIOWPOJADEKDH-KSZLIROESA-N 2 1 356.470 0.560 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884669938 1210776348 /nfs/dbraw/zinc/77/63/48/1210776348.db2.gz KRLQFLDQDDMYSZ-DLBZAZTESA-N 2 1 367.538 0.106 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000884673642 1210776820 /nfs/dbraw/zinc/77/68/20/1210776820.db2.gz BZMQOBPIWKYZSS-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000884673642 1210776827 /nfs/dbraw/zinc/77/68/27/1210776827.db2.gz BZMQOBPIWKYZSS-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690177 1210781058 /nfs/dbraw/zinc/78/10/58/1210781058.db2.gz OZXQDMKUDKCVEQ-RDJZCZTQSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)c1 ZINC000884689067 1210781197 /nfs/dbraw/zinc/78/11/97/1210781197.db2.gz YGIUHNXVTTUQEJ-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)c1 ZINC000884689067 1210781201 /nfs/dbraw/zinc/78/12/01/1210781201.db2.gz YGIUHNXVTTUQEJ-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000884689926 1210781409 /nfs/dbraw/zinc/78/14/09/1210781409.db2.gz DRDCVIYEKYRRIQ-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000884689926 1210781414 /nfs/dbraw/zinc/78/14/14/1210781414.db2.gz DRDCVIYEKYRRIQ-GOSISDBHSA-N 2 1 374.485 0.180 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000884692990 1210782432 /nfs/dbraw/zinc/78/24/32/1210782432.db2.gz HJIAPAWXOXHYJC-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884692377 1210782665 /nfs/dbraw/zinc/78/26/65/1210782665.db2.gz VEAIUTYOFXODOP-CGTJXYLNSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000884699005 1210783884 /nfs/dbraw/zinc/78/38/84/1210783884.db2.gz WEANZAVGLNJGBN-PBHICJAKSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000884699005 1210783886 /nfs/dbraw/zinc/78/38/86/1210783886.db2.gz WEANZAVGLNJGBN-PBHICJAKSA-N 2 1 362.474 0.023 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884707169 1210785103 /nfs/dbraw/zinc/78/51/03/1210785103.db2.gz ALXGCJZGJFEWDH-OTWHNJEPSA-N 2 1 370.497 0.820 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000884706491 1210785132 /nfs/dbraw/zinc/78/51/32/1210785132.db2.gz DXJNNGMGXHCGEE-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000884706491 1210785137 /nfs/dbraw/zinc/78/51/37/1210785137.db2.gz DXJNNGMGXHCGEE-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884706466 1210785309 /nfs/dbraw/zinc/78/53/09/1210785309.db2.gz CXXATYKBWCUZBJ-BBTUJRGHSA-N 2 1 370.497 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721117 1210788674 /nfs/dbraw/zinc/78/86/74/1210788674.db2.gz AUSFCQOSGKSLCM-APWZRJJASA-N 2 1 370.497 0.907 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884742401 1210792518 /nfs/dbraw/zinc/79/25/18/1210792518.db2.gz SFTZQVFNWWVPCR-GOSISDBHSA-N 2 1 360.502 0.911 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000884775672 1210793468 /nfs/dbraw/zinc/79/34/68/1210793468.db2.gz IMENAZFCHSWTIN-OTWHNJEPSA-N 2 1 370.497 0.950 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)cc1 ZINC000884820753 1210798705 /nfs/dbraw/zinc/79/87/05/1210798705.db2.gz WGLBQEHCTGMQCF-KRWDZBQOSA-N 2 1 362.474 0.167 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884832835 1210800150 /nfs/dbraw/zinc/80/01/50/1210800150.db2.gz AWKYQRYPKNKFKL-LZLYRXPVSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834567 1210800292 /nfs/dbraw/zinc/80/02/92/1210800292.db2.gz YPLQBVHLXLMAPH-CGTJXYLNSA-N 2 1 358.486 0.820 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884848948 1210801084 /nfs/dbraw/zinc/80/10/84/1210801084.db2.gz FPKZYOBBYIEGNB-HNNXBMFYSA-N 2 1 358.486 0.749 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884848953 1210801230 /nfs/dbraw/zinc/80/12/30/1210801230.db2.gz FPKZYOBBYIEGNB-OAHLLOKOSA-N 2 1 358.486 0.749 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884886698 1210802997 /nfs/dbraw/zinc/80/29/97/1210802997.db2.gz ONQRCIVICDIWCO-ROUUACIJSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884891826 1210803247 /nfs/dbraw/zinc/80/32/47/1210803247.db2.gz OISZQCPCURFZIH-KBAYOESNSA-N 2 1 360.502 0.861 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2)c1 ZINC000885018557 1210808939 /nfs/dbraw/zinc/80/89/39/1210808939.db2.gz PZQONLOAZBZUTA-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2)c1 ZINC000885018557 1210808940 /nfs/dbraw/zinc/80/89/40/1210808940.db2.gz PZQONLOAZBZUTA-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140738 1210811862 /nfs/dbraw/zinc/81/18/62/1210811862.db2.gz XNPRBQRRDJPEBF-JKSUJKDBSA-N 2 1 366.506 0.109 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140737 1210811901 /nfs/dbraw/zinc/81/19/01/1210811901.db2.gz XNPRBQRRDJPEBF-HZPDHXFCSA-N 2 1 366.506 0.109 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000885155819 1210813425 /nfs/dbraw/zinc/81/34/25/1210813425.db2.gz CCUHQKTZDDEZQN-SFHVURJKSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000885195292 1210815603 /nfs/dbraw/zinc/81/56/03/1210815603.db2.gz JXFXEMHAIBXHRF-DLBZAZTESA-N 2 1 358.486 0.963 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292143 1210817405 /nfs/dbraw/zinc/81/74/05/1210817405.db2.gz RLCQLWDOHOLBJU-LSDHHAIUSA-N 2 1 372.460 0.538 20 0 FCADMP O=C(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000886872536 1210838663 /nfs/dbraw/zinc/83/86/63/1210838663.db2.gz VBERJJUIZUFPNN-FQEVSTJZSA-N 2 1 372.517 0.981 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001691719523 1210843108 /nfs/dbraw/zinc/84/31/08/1210843108.db2.gz HAFMWGOHTWAFCY-NXHRZFHOSA-N 2 1 355.523 0.941 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887067935 1210845244 /nfs/dbraw/zinc/84/52/44/1210845244.db2.gz BYZAPWITFODNBW-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131474 1210849174 /nfs/dbraw/zinc/84/91/74/1210849174.db2.gz YJOBTBOMJBRZGJ-GJZGRUSLSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131474 1210849176 /nfs/dbraw/zinc/84/91/76/1210849176.db2.gz YJOBTBOMJBRZGJ-GJZGRUSLSA-N 2 1 359.474 0.705 20 0 FCADMP [NH3+][C@@H]1CCCN(Cc2cn(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451471 1210858554 /nfs/dbraw/zinc/85/85/54/1210858554.db2.gz NHTFQVVDSPNLPL-QUCCMNQESA-N 2 1 370.501 0.838 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274179512 1210904978 /nfs/dbraw/zinc/90/49/78/1210904978.db2.gz NXZVFHNXQTYYSZ-JXXFODFXSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180272 1210906511 /nfs/dbraw/zinc/90/65/11/1210906511.db2.gz VUNPVPXBTROLRO-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000890129781 1210966107 /nfs/dbraw/zinc/96/61/07/1210966107.db2.gz DGFNBTKNDWEVDT-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000890129781 1210966115 /nfs/dbraw/zinc/96/61/15/1210966115.db2.gz DGFNBTKNDWEVDT-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000890129781 1210966118 /nfs/dbraw/zinc/96/61/18/1210966118.db2.gz DGFNBTKNDWEVDT-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001274418806 1211049624 /nfs/dbraw/zinc/04/96/24/1211049624.db2.gz LKHCKROKRFTALK-KRWDZBQOSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CCC[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001274909039 1211142044 /nfs/dbraw/zinc/14/20/44/1211142044.db2.gz SQIBBWILZITHLL-IRXDYDNUSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001274909039 1211142045 /nfs/dbraw/zinc/14/20/45/1211142045.db2.gz SQIBBWILZITHLL-IRXDYDNUSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001274909039 1211142046 /nfs/dbraw/zinc/14/20/46/1211142046.db2.gz SQIBBWILZITHLL-IRXDYDNUSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cn3c(n1)COCC3)CC2 ZINC001275148460 1211180221 /nfs/dbraw/zinc/18/02/21/1211180221.db2.gz LTFQOUWLOVTTOE-INIZCTEOSA-N 2 1 361.490 0.693 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cn[nH]c2)CC1 ZINC001275169756 1211187536 /nfs/dbraw/zinc/18/75/36/1211187536.db2.gz LVVLGSBCJRVFAH-QZTJIDSGSA-N 2 1 360.506 0.613 20 0 FCADMP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275171684 1211188362 /nfs/dbraw/zinc/18/83/62/1211188362.db2.gz MUEFWTOKMBYSDO-KSZLIROESA-N 2 1 368.522 0.023 20 0 FCADMP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171684 1211188365 /nfs/dbraw/zinc/18/83/65/1211188365.db2.gz MUEFWTOKMBYSDO-KSZLIROESA-N 2 1 368.522 0.023 20 0 FCADMP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171684 1211188368 /nfs/dbraw/zinc/18/83/68/1211188368.db2.gz MUEFWTOKMBYSDO-KSZLIROESA-N 2 1 368.522 0.023 20 0 FCADMP Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178540 1211191212 /nfs/dbraw/zinc/19/12/12/1211191212.db2.gz XTBCHHDWYVCJGB-QGZVFWFLSA-N 2 1 360.506 0.009 20 0 FCADMP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178540 1211191214 /nfs/dbraw/zinc/19/12/14/1211191214.db2.gz XTBCHHDWYVCJGB-QGZVFWFLSA-N 2 1 360.506 0.009 20 0 FCADMP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178540 1211191215 /nfs/dbraw/zinc/19/12/15/1211191215.db2.gz XTBCHHDWYVCJGB-QGZVFWFLSA-N 2 1 360.506 0.009 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556957 1211256366 /nfs/dbraw/zinc/25/63/66/1211256366.db2.gz QXHKOCVEHTZZLP-QFBILLFUSA-N 2 1 367.490 0.583 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C3)CC1 ZINC001275576962 1211258822 /nfs/dbraw/zinc/25/88/22/1211258822.db2.gz PTROSLBDAANSFD-CVEARBPZSA-N 2 1 362.518 0.918 20 0 FCADMP COC[C@@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275736849 1211278995 /nfs/dbraw/zinc/27/89/95/1211278995.db2.gz HUTOVZSYDYCIRC-QFBILLFUSA-N 2 1 367.490 0.631 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798355 1211285153 /nfs/dbraw/zinc/28/51/53/1211285153.db2.gz BIMYAJSXOHPKMH-IEBWSBKVSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798355 1211285155 /nfs/dbraw/zinc/28/51/55/1211285155.db2.gz BIMYAJSXOHPKMH-IEBWSBKVSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798355 1211285157 /nfs/dbraw/zinc/28/51/57/1211285157.db2.gz BIMYAJSXOHPKMH-IEBWSBKVSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798355 1211285158 /nfs/dbraw/zinc/28/51/58/1211285158.db2.gz BIMYAJSXOHPKMH-IEBWSBKVSA-N 2 1 361.490 0.681 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803708 1211287427 /nfs/dbraw/zinc/28/74/27/1211287427.db2.gz KOVIMYBZSTVQED-UYAOXDASSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803708 1211287429 /nfs/dbraw/zinc/28/74/29/1211287429.db2.gz KOVIMYBZSTVQED-UYAOXDASSA-N 2 1 364.534 0.870 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3C[C@H]3CCCO3)C2=O)CC1 ZINC001275803708 1211287433 /nfs/dbraw/zinc/28/74/33/1211287433.db2.gz KOVIMYBZSTVQED-UYAOXDASSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275833824 1211294035 /nfs/dbraw/zinc/29/40/35/1211294035.db2.gz QKMCRAPJSKNBIK-UZLBHIALSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552705 1211295385 /nfs/dbraw/zinc/29/53/85/1211295385.db2.gz GXSINKCSIVYNKH-QZTJIDSGSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363552705 1211295388 /nfs/dbraw/zinc/29/53/88/1211295388.db2.gz GXSINKCSIVYNKH-QZTJIDSGSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363552705 1211295392 /nfs/dbraw/zinc/29/53/92/1211295392.db2.gz GXSINKCSIVYNKH-QZTJIDSGSA-N 2 1 367.538 0.375 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[NH+](C[C@H]4CCC[N@@H+](C)C4)C3)OCC2=O)n1 ZINC001275877571 1211303469 /nfs/dbraw/zinc/30/34/69/1211303469.db2.gz BYRYLTQFNRKNOV-MAUKXSAKSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[NH+](C[C@H]4CCC[N@H+](C)C4)C3)OCC2=O)n1 ZINC001275877571 1211303473 /nfs/dbraw/zinc/30/34/73/1211303473.db2.gz BYRYLTQFNRKNOV-MAUKXSAKSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[N@@H+](C[C@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877571 1211303477 /nfs/dbraw/zinc/30/34/77/1211303477.db2.gz BYRYLTQFNRKNOV-MAUKXSAKSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@]3(CC[N@H+](C[C@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877571 1211303481 /nfs/dbraw/zinc/30/34/81/1211303481.db2.gz BYRYLTQFNRKNOV-MAUKXSAKSA-N 2 1 363.462 0.523 20 0 FCADMP CCOC(=O)[C@@H](C)N1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881208 1211305083 /nfs/dbraw/zinc/30/50/83/1211305083.db2.gz XSVBJRREYVKCSS-OAHLLOKOSA-N 2 1 367.490 0.583 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)cn1 ZINC001095429453 1211334635 /nfs/dbraw/zinc/33/46/35/1211334635.db2.gz YSTPXQDKOITROD-NJAFHUGGSA-N 2 1 371.489 0.714 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)cn1 ZINC001095429453 1211334638 /nfs/dbraw/zinc/33/46/38/1211334638.db2.gz YSTPXQDKOITROD-NJAFHUGGSA-N 2 1 371.489 0.714 20 0 FCADMP Cn1cc2c(cccc2C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)n1 ZINC001276192722 1211378000 /nfs/dbraw/zinc/37/80/00/1211378000.db2.gz QNHZKTFVYPPJSW-UHFFFAOYSA-N 2 1 357.458 0.548 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccnc4[nH]ccc43)C2)OCC1=O ZINC001276218200 1211383273 /nfs/dbraw/zinc/38/32/73/1211383273.db2.gz KJSUDTRTLXPRJY-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP COc1cc(/C=C/C(=O)NCCCCNC(=O)[C@@H]([NH3+])CC[NH3+])ccc1O ZINC001221265770 1225285063 /nfs/dbraw/zinc/28/50/63/1225285063.db2.gz OLHNGMSWWRMSIM-DYLGSBMWSA-N 2 1 364.446 0.103 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000545881569 1211425655 /nfs/dbraw/zinc/42/56/55/1211425655.db2.gz IXZWJUSANUNORT-HXUWFJFHSA-N 2 1 374.485 0.794 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC000926138374 1211517774 /nfs/dbraw/zinc/51/77/74/1211517774.db2.gz NRQKRFHTQYJWIL-XSYGEPLQSA-N 2 1 365.518 0.693 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171547 1211519855 /nfs/dbraw/zinc/51/98/55/1211519855.db2.gz YGKVXLPBKCBWEO-JYBIWHBTSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171547 1211519859 /nfs/dbraw/zinc/51/98/59/1211519859.db2.gz YGKVXLPBKCBWEO-JYBIWHBTSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171547 1211519862 /nfs/dbraw/zinc/51/98/62/1211519862.db2.gz YGKVXLPBKCBWEO-JYBIWHBTSA-N 2 1 366.550 0.610 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926349329 1211537642 /nfs/dbraw/zinc/53/76/42/1211537642.db2.gz VSHHDDHHAICEAR-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000926386959 1211544038 /nfs/dbraw/zinc/54/40/38/1211544038.db2.gz QVSKVCGMTBVCLU-GBESFXJTSA-N 2 1 370.497 0.917 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@@H]1C ZINC000927636195 1211577276 /nfs/dbraw/zinc/57/72/76/1211577276.db2.gz KTHNLQLPYWVGTP-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)CCO2 ZINC000927637550 1211577594 /nfs/dbraw/zinc/57/75/94/1211577594.db2.gz WFLVVCNUGPPRRZ-KRWDZBQOSA-N 2 1 366.506 0.746 20 0 FCADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404091 1225307544 /nfs/dbraw/zinc/30/75/44/1225307544.db2.gz GISHEMDJIOKWEG-SJORKVTESA-N 3 1 362.474 0.264 20 0 FCADMP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)c1 ZINC001221404091 1225307550 /nfs/dbraw/zinc/30/75/50/1225307550.db2.gz GISHEMDJIOKWEG-SJORKVTESA-N 2 1 362.474 0.264 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC000931437574 1211756682 /nfs/dbraw/zinc/75/66/82/1211756682.db2.gz LMVUMIHOZVJBGF-CVEARBPZSA-N 2 1 360.458 0.050 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC000931437574 1211756685 /nfs/dbraw/zinc/75/66/85/1211756685.db2.gz LMVUMIHOZVJBGF-CVEARBPZSA-N 2 1 360.458 0.050 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC000931437574 1211756691 /nfs/dbraw/zinc/75/66/91/1211756691.db2.gz LMVUMIHOZVJBGF-CVEARBPZSA-N 2 1 360.458 0.050 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC000931437574 1211756696 /nfs/dbraw/zinc/75/66/96/1211756696.db2.gz LMVUMIHOZVJBGF-CVEARBPZSA-N 2 1 360.458 0.050 20 0 FCADMP COc1ccc(NC(=O)NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931483577 1211757531 /nfs/dbraw/zinc/75/75/31/1211757531.db2.gz IQKRHCAJLOKGAN-UHFFFAOYSA-N 2 1 364.446 0.732 20 0 FCADMP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931880998 1211778729 /nfs/dbraw/zinc/77/87/29/1211778729.db2.gz ATPCMFGGWXSKOZ-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931880998 1211778731 /nfs/dbraw/zinc/77/87/31/1211778731.db2.gz ATPCMFGGWXSKOZ-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931880998 1211778734 /nfs/dbraw/zinc/77/87/34/1211778734.db2.gz ATPCMFGGWXSKOZ-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931880998 1211778739 /nfs/dbraw/zinc/77/87/39/1211778739.db2.gz ATPCMFGGWXSKOZ-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000932621667 1211814105 /nfs/dbraw/zinc/81/41/05/1211814105.db2.gz NGJIIBIPXNJDLA-KBXCAEBGSA-N 2 1 374.489 0.506 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]c1 ZINC000932805269 1211822577 /nfs/dbraw/zinc/82/25/77/1211822577.db2.gz WLEOFXKNHYZNTI-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]c1 ZINC000932805269 1211822578 /nfs/dbraw/zinc/82/25/78/1211822578.db2.gz WLEOFXKNHYZNTI-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]c1 ZINC000932801672 1211822687 /nfs/dbraw/zinc/82/26/87/1211822687.db2.gz DUVMSWACIQFXFO-INIZCTEOSA-N 2 1 359.474 0.862 20 0 FCADMP O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000932830351 1211823904 /nfs/dbraw/zinc/82/39/04/1211823904.db2.gz BXCUTVJKABGYOL-LJQANCHMSA-N 2 1 373.497 0.982 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111146975 1211899960 /nfs/dbraw/zinc/89/99/60/1211899960.db2.gz JFELKPSVRNQANL-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111146975 1211899962 /nfs/dbraw/zinc/89/99/62/1211899962.db2.gz JFELKPSVRNQANL-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001095784554 1212000171 /nfs/dbraw/zinc/00/01/71/1212000171.db2.gz YLVBCBCKKRCUMA-OWEAFNKSSA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001095784554 1212000173 /nfs/dbraw/zinc/00/01/73/1212000173.db2.gz YLVBCBCKKRCUMA-OWEAFNKSSA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001095784554 1212000179 /nfs/dbraw/zinc/00/01/79/1212000179.db2.gz YLVBCBCKKRCUMA-OWEAFNKSSA-N 2 1 371.485 0.468 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000947501117 1212037026 /nfs/dbraw/zinc/03/70/26/1212037026.db2.gz ZSRSYIYLUXGQGQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000947501117 1212037032 /nfs/dbraw/zinc/03/70/32/1212037032.db2.gz ZSRSYIYLUXGQGQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000947501117 1212037046 /nfs/dbraw/zinc/03/70/46/1212037046.db2.gz ZSRSYIYLUXGQGQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947501117 1212037050 /nfs/dbraw/zinc/03/70/50/1212037050.db2.gz ZSRSYIYLUXGQGQ-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1O ZINC000968620826 1212049224 /nfs/dbraw/zinc/04/92/24/1212049224.db2.gz GBTRIWQFGZUBKE-ZACQAIPSSA-N 2 1 371.441 0.349 20 0 FCADMP CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1O ZINC000968620826 1212049231 /nfs/dbraw/zinc/04/92/31/1212049231.db2.gz GBTRIWQFGZUBKE-ZACQAIPSSA-N 2 1 371.441 0.349 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001111276460 1212191780 /nfs/dbraw/zinc/19/17/80/1212191780.db2.gz WQEWRHRCYOEMGC-DDBAPUKQSA-N 2 1 362.474 0.880 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC[C@H]1CCCO1 ZINC001111276460 1212191789 /nfs/dbraw/zinc/19/17/89/1212191789.db2.gz WQEWRHRCYOEMGC-DDBAPUKQSA-N 2 1 362.474 0.880 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001111281559 1212233371 /nfs/dbraw/zinc/23/33/71/1212233371.db2.gz XUBWVCDCXOOBSV-TVFCKZIOSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC000969072055 1212254937 /nfs/dbraw/zinc/25/49/37/1212254937.db2.gz UUWVVZMPXSRFFU-MRVWCRGKSA-N 2 1 371.432 0.767 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC000969072055 1212254941 /nfs/dbraw/zinc/25/49/41/1212254941.db2.gz UUWVVZMPXSRFFU-MRVWCRGKSA-N 2 1 371.432 0.767 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949017342 1212276223 /nfs/dbraw/zinc/27/62/23/1212276223.db2.gz GHHXIJSOADRBHP-ZACQAIPSSA-N 2 1 362.518 0.918 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949887510 1212480939 /nfs/dbraw/zinc/48/09/39/1212480939.db2.gz XQGFFGDXAPULMX-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001111309050 1212536368 /nfs/dbraw/zinc/53/63/68/1212536368.db2.gz JBCDFZRRXJOWCZ-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001111309050 1212536372 /nfs/dbraw/zinc/53/63/72/1212536372.db2.gz JBCDFZRRXJOWCZ-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001111309050 1212536376 /nfs/dbraw/zinc/53/63/76/1212536376.db2.gz JBCDFZRRXJOWCZ-VQHPVUNQSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001007692181 1212554434 /nfs/dbraw/zinc/55/44/34/1212554434.db2.gz JPRBAKVRBKWVPO-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000950701040 1212633828 /nfs/dbraw/zinc/63/38/28/1212633828.db2.gz OHNISCFFGRDVDR-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001095812474 1212652448 /nfs/dbraw/zinc/65/24/48/1212652448.db2.gz NDYPXTJGEOFUPN-VSZNYVQBSA-N 2 1 358.490 0.874 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001095812474 1212652453 /nfs/dbraw/zinc/65/24/53/1212652453.db2.gz NDYPXTJGEOFUPN-VSZNYVQBSA-N 2 1 358.490 0.874 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001095812473 1212652632 /nfs/dbraw/zinc/65/26/32/1212652632.db2.gz NDYPXTJGEOFUPN-OWSLCNJRSA-N 2 1 358.490 0.874 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001095812473 1212652634 /nfs/dbraw/zinc/65/26/34/1212652634.db2.gz NDYPXTJGEOFUPN-OWSLCNJRSA-N 2 1 358.490 0.874 20 0 FCADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221616534 1225400701 /nfs/dbraw/zinc/40/07/01/1225400701.db2.gz OMJWWPWXVJKZCE-BHIYHBOVSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616534 1225400704 /nfs/dbraw/zinc/40/07/04/1225400704.db2.gz OMJWWPWXVJKZCE-BHIYHBOVSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221616534 1225400711 /nfs/dbraw/zinc/40/07/11/1225400711.db2.gz OMJWWPWXVJKZCE-BHIYHBOVSA-N 2 1 365.518 0.935 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221617013 1225400912 /nfs/dbraw/zinc/40/09/12/1225400912.db2.gz ZZPXAXRRGLTIFD-BRWVUGGUSA-N 2 1 365.522 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221617013 1225400914 /nfs/dbraw/zinc/40/09/14/1225400914.db2.gz ZZPXAXRRGLTIFD-BRWVUGGUSA-N 2 1 365.522 0.567 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000952407718 1212947190 /nfs/dbraw/zinc/94/71/90/1212947190.db2.gz LWWCPHGPCMQDRV-KBRIMQKVSA-N 2 1 359.474 0.496 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000952724095 1212973551 /nfs/dbraw/zinc/97/35/51/1212973551.db2.gz FXNZREOYCCSVRM-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000952724095 1212973555 /nfs/dbraw/zinc/97/35/55/1212973555.db2.gz FXNZREOYCCSVRM-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000952724095 1212973557 /nfs/dbraw/zinc/97/35/57/1212973557.db2.gz FXNZREOYCCSVRM-HSFUPAIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000954049075 1213036306 /nfs/dbraw/zinc/03/63/06/1213036306.db2.gz PGDOIPJXVYTRHL-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000954410591 1213070440 /nfs/dbraw/zinc/07/04/40/1213070440.db2.gz JGDFDZDFYLHEFJ-BMFZPTHFSA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000954410591 1213070444 /nfs/dbraw/zinc/07/04/44/1213070444.db2.gz JGDFDZDFYLHEFJ-BMFZPTHFSA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000954648522 1213097644 /nfs/dbraw/zinc/09/76/44/1213097644.db2.gz LKDYZGYTQMYTCL-HLLBOEOZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)O1 ZINC000954648522 1213097647 /nfs/dbraw/zinc/09/76/47/1213097647.db2.gz LKDYZGYTQMYTCL-HLLBOEOZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)O1 ZINC000954648522 1213097654 /nfs/dbraw/zinc/09/76/54/1213097654.db2.gz LKDYZGYTQMYTCL-HLLBOEOZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000954648522 1213097659 /nfs/dbraw/zinc/09/76/59/1213097659.db2.gz LKDYZGYTQMYTCL-HLLBOEOZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000954648522 1213097662 /nfs/dbraw/zinc/09/76/62/1213097662.db2.gz LKDYZGYTQMYTCL-HLLBOEOZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000954650162 1213098547 /nfs/dbraw/zinc/09/85/47/1213098547.db2.gz ZVSJGCXYGISBLY-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000954650162 1213098552 /nfs/dbraw/zinc/09/85/52/1213098552.db2.gz ZVSJGCXYGISBLY-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000955081602 1213133046 /nfs/dbraw/zinc/13/30/46/1213133046.db2.gz KLVFBQKMTPWJQB-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000955081602 1213133050 /nfs/dbraw/zinc/13/30/50/1213133050.db2.gz KLVFBQKMTPWJQB-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000955081602 1213133052 /nfs/dbraw/zinc/13/30/52/1213133052.db2.gz KLVFBQKMTPWJQB-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000955081602 1213133056 /nfs/dbraw/zinc/13/30/56/1213133056.db2.gz KLVFBQKMTPWJQB-QSJFSLAZSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000957160330 1213266469 /nfs/dbraw/zinc/26/64/69/1213266469.db2.gz PNINYYIBPHUZQA-IDHHARJASA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000957160330 1213266472 /nfs/dbraw/zinc/26/64/72/1213266472.db2.gz PNINYYIBPHUZQA-IDHHARJASA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000957160330 1213266473 /nfs/dbraw/zinc/26/64/73/1213266473.db2.gz PNINYYIBPHUZQA-IDHHARJASA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000957160330 1213266476 /nfs/dbraw/zinc/26/64/76/1213266476.db2.gz PNINYYIBPHUZQA-IDHHARJASA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957166573 1213272167 /nfs/dbraw/zinc/27/21/67/1213272167.db2.gz RNBIGKJYHIGKGR-OGWOLHLISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957166573 1213272169 /nfs/dbraw/zinc/27/21/69/1213272169.db2.gz RNBIGKJYHIGKGR-OGWOLHLISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701528 1225447862 /nfs/dbraw/zinc/44/78/62/1225447862.db2.gz SNSQCNKXXOQFKC-SYJBPTKTSA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)OCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701528 1225447869 /nfs/dbraw/zinc/44/78/69/1225447869.db2.gz SNSQCNKXXOQFKC-SYJBPTKTSA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)OCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701528 1225447873 /nfs/dbraw/zinc/44/78/73/1225447873.db2.gz SNSQCNKXXOQFKC-SYJBPTKTSA-N 2 1 363.502 0.807 20 0 FCADMP COCC[N@H+]1CCC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276356966 1213446449 /nfs/dbraw/zinc/44/64/49/1213446449.db2.gz CMFNUGFZTZCWRN-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP COCC[N@@H+]1CCC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276356966 1213446452 /nfs/dbraw/zinc/44/64/52/1213446452.db2.gz CMFNUGFZTZCWRN-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP COCC[N@H+]1CCC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276356966 1213446456 /nfs/dbraw/zinc/44/64/56/1213446456.db2.gz CMFNUGFZTZCWRN-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000959655163 1213486321 /nfs/dbraw/zinc/48/63/21/1213486321.db2.gz RSHHEBBAMZAGPP-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001221771791 1225475734 /nfs/dbraw/zinc/47/57/34/1225475734.db2.gz HBUILHYCCLYTJG-IXDOHACOSA-N 2 1 361.490 0.119 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960415334 1213747601 /nfs/dbraw/zinc/74/76/01/1213747601.db2.gz KQPCYYYHMHMQOL-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960525641 1213802804 /nfs/dbraw/zinc/80/28/04/1213802804.db2.gz KHGGRKIOFHZEQU-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960525641 1213802808 /nfs/dbraw/zinc/80/28/08/1213802808.db2.gz KHGGRKIOFHZEQU-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960525641 1213802812 /nfs/dbraw/zinc/80/28/12/1213802812.db2.gz KHGGRKIOFHZEQU-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960525641 1213802814 /nfs/dbraw/zinc/80/28/14/1213802814.db2.gz KHGGRKIOFHZEQU-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CCC[NH+]2C)C3)CC[N@H+]1C ZINC001010680354 1213808179 /nfs/dbraw/zinc/80/81/79/1213808179.db2.gz GRZMXEDNSUDRSU-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C3)CC[NH+]1C ZINC001010680354 1213808185 /nfs/dbraw/zinc/80/81/85/1213808185.db2.gz GRZMXEDNSUDRSU-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C3)CC[NH+]1C ZINC001010680354 1213808187 /nfs/dbraw/zinc/80/81/87/1213808187.db2.gz GRZMXEDNSUDRSU-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011134364 1213833911 /nfs/dbraw/zinc/83/39/11/1213833911.db2.gz LKJKUOUZWRYFPS-BRWVUGGUSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011134364 1213833916 /nfs/dbraw/zinc/83/39/16/1213833916.db2.gz LKJKUOUZWRYFPS-BRWVUGGUSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011134364 1213833921 /nfs/dbraw/zinc/83/39/21/1213833921.db2.gz LKJKUOUZWRYFPS-BRWVUGGUSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011134364 1213833927 /nfs/dbraw/zinc/83/39/27/1213833927.db2.gz LKJKUOUZWRYFPS-BRWVUGGUSA-N 2 1 366.506 0.249 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817582 1225490846 /nfs/dbraw/zinc/49/08/46/1225490846.db2.gz YXVPZWKFCDZRFC-RBSFLKMASA-N 2 1 364.490 0.302 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817582 1225490850 /nfs/dbraw/zinc/49/08/50/1225490850.db2.gz YXVPZWKFCDZRFC-RBSFLKMASA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817582 1225490854 /nfs/dbraw/zinc/49/08/54/1225490854.db2.gz YXVPZWKFCDZRFC-RBSFLKMASA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001221817582 1225490860 /nfs/dbraw/zinc/49/08/60/1225490860.db2.gz YXVPZWKFCDZRFC-RBSFLKMASA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC001017544580 1214113088 /nfs/dbraw/zinc/11/30/88/1214113088.db2.gz RRAGVLBCFIKAOJ-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC001017544580 1214113092 /nfs/dbraw/zinc/11/30/92/1214113092.db2.gz RRAGVLBCFIKAOJ-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001017544580 1214113097 /nfs/dbraw/zinc/11/30/97/1214113097.db2.gz RRAGVLBCFIKAOJ-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001017544580 1214113100 /nfs/dbraw/zinc/11/31/00/1214113100.db2.gz RRAGVLBCFIKAOJ-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221846938 1225503980 /nfs/dbraw/zinc/50/39/80/1225503980.db2.gz SYWVKYSGFZKLLX-IXDOHACOSA-N 2 1 364.490 0.937 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221846938 1225503984 /nfs/dbraw/zinc/50/39/84/1225503984.db2.gz SYWVKYSGFZKLLX-IXDOHACOSA-N 2 1 364.490 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C3)CC[NH+]1C ZINC001019070595 1214190056 /nfs/dbraw/zinc/19/00/56/1214190056.db2.gz VEULSCLKMLMOCT-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CCC[C@@H]2C)C3)CC[N@@H+]1C ZINC001019070595 1214190060 /nfs/dbraw/zinc/19/00/60/1214190060.db2.gz VEULSCLKMLMOCT-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CCC[C@@H]2C)C3)CC[N@H+]1C ZINC001019070595 1214190066 /nfs/dbraw/zinc/19/00/66/1214190066.db2.gz VEULSCLKMLMOCT-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C3)CC[N@H+]1C ZINC001019070142 1214190370 /nfs/dbraw/zinc/19/03/70/1214190370.db2.gz APWWYRHAVQARTA-DJIMGWMZSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001019070225 1214190444 /nfs/dbraw/zinc/19/04/44/1214190444.db2.gz FIHNQMNBTWIBLO-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001019070225 1214190450 /nfs/dbraw/zinc/19/04/50/1214190450.db2.gz FIHNQMNBTWIBLO-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001019070225 1214190452 /nfs/dbraw/zinc/19/04/52/1214190452.db2.gz FIHNQMNBTWIBLO-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019070353 1214190923 /nfs/dbraw/zinc/19/09/23/1214190923.db2.gz KEHVXZRVRPRJSD-ZACQAIPSSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001019072397 1214191938 /nfs/dbraw/zinc/19/19/38/1214191938.db2.gz HCLNBUHLFRRWHA-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001019072397 1214191944 /nfs/dbraw/zinc/19/19/44/1214191944.db2.gz HCLNBUHLFRRWHA-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001019072397 1214191950 /nfs/dbraw/zinc/19/19/50/1214191950.db2.gz HCLNBUHLFRRWHA-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365309 1214192771 /nfs/dbraw/zinc/19/27/71/1214192771.db2.gz HTVMCJHANFEYQY-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365309 1214192775 /nfs/dbraw/zinc/19/27/75/1214192775.db2.gz HTVMCJHANFEYQY-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365309 1214192778 /nfs/dbraw/zinc/19/27/78/1214192778.db2.gz HTVMCJHANFEYQY-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365309 1214192782 /nfs/dbraw/zinc/19/27/82/1214192782.db2.gz HTVMCJHANFEYQY-OTWHNJEPSA-N 2 1 359.470 0.819 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419505991 1214204575 /nfs/dbraw/zinc/20/45/75/1214204575.db2.gz LEPFSVYIGNSNGG-RXVVDRJESA-N 2 1 370.497 0.979 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)[NH+](C)C ZINC000961665610 1214261624 /nfs/dbraw/zinc/26/16/24/1214261624.db2.gz ZUJGOOZJUISDHT-UYTYNIKBSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@@H+]1C ZINC001020171883 1214316886 /nfs/dbraw/zinc/31/68/86/1214316886.db2.gz BGTRIDNSJQXCKJ-AAVRWANBSA-N 2 1 371.445 0.604 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@H+]1C ZINC001020171883 1214316892 /nfs/dbraw/zinc/31/68/92/1214316892.db2.gz BGTRIDNSJQXCKJ-AAVRWANBSA-N 2 1 371.445 0.604 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC000961856764 1214337050 /nfs/dbraw/zinc/33/70/50/1214337050.db2.gz NBIQNMORWMFLRB-SSHXOBKSSA-N 2 1 363.510 0.969 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC000961929257 1214361658 /nfs/dbraw/zinc/36/16/58/1214361658.db2.gz XPWCDAKQKWUMNX-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP COc1ncccc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961988291 1214392795 /nfs/dbraw/zinc/39/27/95/1214392795.db2.gz FRXOQUOZWFRAMV-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ncccc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961988291 1214392800 /nfs/dbraw/zinc/39/28/00/1214392800.db2.gz FRXOQUOZWFRAMV-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP CCn1nnc(C)c1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961990631 1214395268 /nfs/dbraw/zinc/39/52/68/1214395268.db2.gz NRQIOMFFHSAOSB-IGHZYHEGSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1nnc(C)c1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961990631 1214395275 /nfs/dbraw/zinc/39/52/75/1214395275.db2.gz NRQIOMFFHSAOSB-IGHZYHEGSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NC2CC2)C3)CC[N@H+]1C ZINC001040211575 1214485115 /nfs/dbraw/zinc/48/51/15/1214485115.db2.gz XOIFXIJTCJJLHQ-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001040211575 1214485118 /nfs/dbraw/zinc/48/51/18/1214485118.db2.gz XOIFXIJTCJJLHQ-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001040211575 1214485122 /nfs/dbraw/zinc/48/51/22/1214485122.db2.gz XOIFXIJTCJJLHQ-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCn2cncn2)C3)CC[N@H+]1C ZINC001040211803 1214485223 /nfs/dbraw/zinc/48/52/23/1214485223.db2.gz ZTNJPWBUYSTRMQ-ZHALLVOQSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001040211803 1214485226 /nfs/dbraw/zinc/48/52/26/1214485226.db2.gz ZTNJPWBUYSTRMQ-ZHALLVOQSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001040211803 1214485230 /nfs/dbraw/zinc/48/52/30/1214485230.db2.gz ZTNJPWBUYSTRMQ-ZHALLVOQSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1)[NH+](C)C ZINC000963202804 1214766427 /nfs/dbraw/zinc/76/64/27/1214766427.db2.gz BEWVPMWFHTXKOR-KFWWJZLASA-N 2 1 365.478 0.035 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCN(C)C2=O)C3)CC[N@H+]1C ZINC000963823424 1214859152 /nfs/dbraw/zinc/85/91/52/1214859152.db2.gz JTYVVYJWOJCZBR-LKWYGBNPSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)c1nnnn1C ZINC000963830984 1214861036 /nfs/dbraw/zinc/86/10/36/1214861036.db2.gz WCVIQEAOQPLQGD-GIQYRRDHSA-N 2 1 361.494 0.628 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCCNC2=O)C3)O1 ZINC000964030745 1214890798 /nfs/dbraw/zinc/89/07/98/1214890798.db2.gz XHUSRJGMXWILSX-MCNKDSKZSA-N 2 1 364.490 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCCNC2=O)C3)O1 ZINC000964030745 1214890802 /nfs/dbraw/zinc/89/08/02/1214890802.db2.gz XHUSRJGMXWILSX-MCNKDSKZSA-N 2 1 364.490 0.001 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000964934463 1215006740 /nfs/dbraw/zinc/00/67/40/1215006740.db2.gz NBYLXIOCODQWDA-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013763 1225575897 /nfs/dbraw/zinc/57/58/97/1225575897.db2.gz KVVSQLFOJAAJPA-KZNAEPCWSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013763 1225575904 /nfs/dbraw/zinc/57/59/04/1225575904.db2.gz KVVSQLFOJAAJPA-KZNAEPCWSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCCCn4cncn4)C[C@H]32)C1 ZINC001222013763 1225575907 /nfs/dbraw/zinc/57/59/07/1225575907.db2.gz KVVSQLFOJAAJPA-KZNAEPCWSA-N 2 1 360.506 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001222018002 1225576708 /nfs/dbraw/zinc/57/67/08/1225576708.db2.gz HRIZBOQVDSADLM-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001222018002 1225576715 /nfs/dbraw/zinc/57/67/15/1225576715.db2.gz HRIZBOQVDSADLM-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000966066395 1215161774 /nfs/dbraw/zinc/16/17/74/1215161774.db2.gz UKZCPPXEKQUIRH-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000966066395 1215161777 /nfs/dbraw/zinc/16/17/77/1215161777.db2.gz UKZCPPXEKQUIRH-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000966066395 1215161779 /nfs/dbraw/zinc/16/17/79/1215161779.db2.gz UKZCPPXEKQUIRH-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968015132 1215274410 /nfs/dbraw/zinc/27/44/10/1215274410.db2.gz BUIAFFCCUWUHQJ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968015132 1215274414 /nfs/dbraw/zinc/27/44/14/1215274414.db2.gz BUIAFFCCUWUHQJ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968015132 1215274415 /nfs/dbraw/zinc/27/44/15/1215274415.db2.gz BUIAFFCCUWUHQJ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968015132 1215274419 /nfs/dbraw/zinc/27/44/19/1215274419.db2.gz BUIAFFCCUWUHQJ-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000968017964 1215274519 /nfs/dbraw/zinc/27/45/19/1215274519.db2.gz NVFBOYHIEFOGHC-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000968017964 1215274521 /nfs/dbraw/zinc/27/45/21/1215274521.db2.gz NVFBOYHIEFOGHC-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000968017964 1215274523 /nfs/dbraw/zinc/27/45/23/1215274523.db2.gz NVFBOYHIEFOGHC-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000968017964 1215274526 /nfs/dbraw/zinc/27/45/26/1215274526.db2.gz NVFBOYHIEFOGHC-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000968091901 1215284251 /nfs/dbraw/zinc/28/42/51/1215284251.db2.gz TUJKGKBHHSKVFP-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000968091901 1215284253 /nfs/dbraw/zinc/28/42/53/1215284253.db2.gz TUJKGKBHHSKVFP-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000968091901 1215284256 /nfs/dbraw/zinc/28/42/56/1215284256.db2.gz TUJKGKBHHSKVFP-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000968091901 1215284261 /nfs/dbraw/zinc/28/42/61/1215284261.db2.gz TUJKGKBHHSKVFP-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000968091901 1215284266 /nfs/dbraw/zinc/28/42/66/1215284266.db2.gz TUJKGKBHHSKVFP-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045943 1225588783 /nfs/dbraw/zinc/58/87/83/1225588783.db2.gz YDYDHWBGZVHLPT-ZIFCJYIRSA-N 2 1 361.486 0.902 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442831 1225625169 /nfs/dbraw/zinc/62/51/69/1225625169.db2.gz NVSDQRIDLDDBJF-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442831 1225625171 /nfs/dbraw/zinc/62/51/71/1225625171.db2.gz NVSDQRIDLDDBJF-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442831 1225625174 /nfs/dbraw/zinc/62/51/74/1225625174.db2.gz NVSDQRIDLDDBJF-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442831 1225625176 /nfs/dbraw/zinc/62/51/76/1225625176.db2.gz NVSDQRIDLDDBJF-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001055966835 1215929341 /nfs/dbraw/zinc/92/93/41/1215929341.db2.gz KWDADLUFNIOWEX-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547998 1215978076 /nfs/dbraw/zinc/97/80/76/1215978076.db2.gz HPUIHRZICNDMGR-YYIAUSFCSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)O1 ZINC001056547998 1215978083 /nfs/dbraw/zinc/97/80/83/1215978083.db2.gz HPUIHRZICNDMGR-YYIAUSFCSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001000486185 1216069786 /nfs/dbraw/zinc/06/97/86/1216069786.db2.gz SYMSKHQXIACLMG-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001000486185 1216069789 /nfs/dbraw/zinc/06/97/89/1216069789.db2.gz SYMSKHQXIACLMG-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC001000702102 1216108055 /nfs/dbraw/zinc/10/80/55/1216108055.db2.gz QDNBKVNGKXFISM-BPQIPLTHSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC001000702102 1216108058 /nfs/dbraw/zinc/10/80/58/1216108058.db2.gz QDNBKVNGKXFISM-BPQIPLTHSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC001000702102 1216108059 /nfs/dbraw/zinc/10/80/59/1216108059.db2.gz QDNBKVNGKXFISM-BPQIPLTHSA-N 2 1 362.518 0.991 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180687 1216135282 /nfs/dbraw/zinc/13/52/82/1216135282.db2.gz GDRISPQLNOLQSA-LZQZEXGQSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180687 1216135284 /nfs/dbraw/zinc/13/52/84/1216135284.db2.gz GDRISPQLNOLQSA-LZQZEXGQSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180687 1216135285 /nfs/dbraw/zinc/13/52/85/1216135285.db2.gz GDRISPQLNOLQSA-LZQZEXGQSA-N 2 1 370.497 0.954 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180687 1216135287 /nfs/dbraw/zinc/13/52/87/1216135287.db2.gz GDRISPQLNOLQSA-LZQZEXGQSA-N 2 1 370.497 0.954 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001222800236 1225654264 /nfs/dbraw/zinc/65/42/64/1225654264.db2.gz VIFTUWAUZCGCIR-PVAVHDDUSA-N 2 1 368.497 0.868 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001222800236 1225654270 /nfs/dbraw/zinc/65/42/70/1225654270.db2.gz VIFTUWAUZCGCIR-PVAVHDDUSA-N 2 1 368.497 0.868 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001001427005 1216196305 /nfs/dbraw/zinc/19/63/05/1216196305.db2.gz ZRMZNVVKPNAPCD-XHSDSOJGSA-N 2 1 364.490 0.350 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001534303 1216236720 /nfs/dbraw/zinc/23/67/20/1216236720.db2.gz WJJYUZYUVHYUQK-RDTXWAMCSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001534303 1216236725 /nfs/dbraw/zinc/23/67/25/1216236725.db2.gz WJJYUZYUVHYUQK-RDTXWAMCSA-N 2 1 363.506 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)CC[N@H+]1C ZINC001050050914 1216275876 /nfs/dbraw/zinc/27/58/76/1216275876.db2.gz LWKGYEFWFPHSPX-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)CC[NH+]1C ZINC001050050914 1216275882 /nfs/dbraw/zinc/27/58/82/1216275882.db2.gz LWKGYEFWFPHSPX-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC[NH+]1C ZINC001050050914 1216275892 /nfs/dbraw/zinc/27/58/92/1216275892.db2.gz LWKGYEFWFPHSPX-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](CCn4cccn4)C[C@H]32)O1 ZINC001050075692 1216280260 /nfs/dbraw/zinc/28/02/60/1216280260.db2.gz OBVRUILGVPIQGT-XMTFNYHQSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](CCn4cccn4)C[C@H]32)O1 ZINC001050075692 1216280271 /nfs/dbraw/zinc/28/02/71/1216280271.db2.gz OBVRUILGVPIQGT-XMTFNYHQSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)O1 ZINC001050075692 1216280281 /nfs/dbraw/zinc/28/02/81/1216280281.db2.gz OBVRUILGVPIQGT-XMTFNYHQSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)O1 ZINC001050075692 1216280292 /nfs/dbraw/zinc/28/02/92/1216280292.db2.gz OBVRUILGVPIQGT-XMTFNYHQSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC001050336865 1216309425 /nfs/dbraw/zinc/30/94/25/1216309425.db2.gz SETRNEVEEDLRHD-OVYGPGRDSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCCNC3=O)CC2)O1 ZINC001050336865 1216309431 /nfs/dbraw/zinc/30/94/31/1216309431.db2.gz SETRNEVEEDLRHD-OVYGPGRDSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)CC2)C1=O ZINC001050524421 1216331632 /nfs/dbraw/zinc/33/16/32/1216331632.db2.gz CAPXOQVXXSJIPW-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623663 1216468102 /nfs/dbraw/zinc/46/81/02/1216468102.db2.gz JDGOUMDMVYTJDS-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623663 1216468110 /nfs/dbraw/zinc/46/81/10/1216468110.db2.gz JDGOUMDMVYTJDS-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624014 1216468431 /nfs/dbraw/zinc/46/84/31/1216468431.db2.gz LSFUUESXOGKIFP-BZUAXINKSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624014 1216468439 /nfs/dbraw/zinc/46/84/39/1216468439.db2.gz LSFUUESXOGKIFP-BZUAXINKSA-N 2 1 364.494 0.264 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)ncn3)C2)CC[N@H+]1C ZINC001051624501 1216469369 /nfs/dbraw/zinc/46/93/69/1216469369.db2.gz QNSXJRSQVULOAR-OKZBNKHCSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cccc(F)c3)C2)O1 ZINC001051680009 1216473588 /nfs/dbraw/zinc/47/35/88/1216473588.db2.gz JRNKSSNMUDDPRS-FHLIZLRMSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cccc(F)c3)C2)O1 ZINC001051680009 1216473591 /nfs/dbraw/zinc/47/35/91/1216473591.db2.gz JRNKSSNMUDDPRS-FHLIZLRMSA-N 2 1 365.449 0.862 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001052389762 1216546665 /nfs/dbraw/zinc/54/66/65/1216546665.db2.gz ZCQBDEPQZSYDHK-NUJGCVRESA-N 2 1 366.506 0.189 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151847 1225683412 /nfs/dbraw/zinc/68/34/12/1225683412.db2.gz XSVVXKPSOVUIFS-PBIMCDDKSA-N 2 1 363.502 0.809 20 0 FCADMP COCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151847 1225683415 /nfs/dbraw/zinc/68/34/15/1225683415.db2.gz XSVVXKPSOVUIFS-PBIMCDDKSA-N 2 1 363.502 0.809 20 0 FCADMP COCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151847 1225683418 /nfs/dbraw/zinc/68/34/18/1225683418.db2.gz XSVVXKPSOVUIFS-PBIMCDDKSA-N 2 1 363.502 0.809 20 0 FCADMP Cn1c(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cccc1=O ZINC001276869176 1225687392 /nfs/dbraw/zinc/68/73/92/1225687392.db2.gz WCKTVEDNVQVKDE-LJQANCHMSA-N 2 1 360.458 0.288 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001067539499 1216686683 /nfs/dbraw/zinc/68/66/83/1216686683.db2.gz ZHILCTZDYLLIOK-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001067539499 1216686691 /nfs/dbraw/zinc/68/66/91/1216686691.db2.gz ZHILCTZDYLLIOK-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001067539499 1216686697 /nfs/dbraw/zinc/68/66/97/1216686697.db2.gz ZHILCTZDYLLIOK-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001067539499 1216686703 /nfs/dbraw/zinc/68/67/03/1216686703.db2.gz ZHILCTZDYLLIOK-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068461660 1216738570 /nfs/dbraw/zinc/73/85/70/1216738570.db2.gz SQJGFHPJFDNKFK-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068461660 1216738575 /nfs/dbraw/zinc/73/85/75/1216738575.db2.gz SQJGFHPJFDNKFK-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068461660 1216738582 /nfs/dbraw/zinc/73/85/82/1216738582.db2.gz SQJGFHPJFDNKFK-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068939647 1216770434 /nfs/dbraw/zinc/77/04/34/1216770434.db2.gz GGKCRBDGWGTGGD-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068939647 1216770438 /nfs/dbraw/zinc/77/04/38/1216770438.db2.gz GGKCRBDGWGTGGD-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068939647 1216770444 /nfs/dbraw/zinc/77/04/44/1216770444.db2.gz GGKCRBDGWGTGGD-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CCC[NH+](C)C)CO3)CC[N@H+]1C ZINC001068989510 1216772595 /nfs/dbraw/zinc/77/25/95/1216772595.db2.gz PTMBQEPWOLTFJM-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248355 1225694042 /nfs/dbraw/zinc/69/40/42/1225694042.db2.gz JEMHIGFJEVMRSM-NVXWUHKLSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[NH+](C[C@H]2CCOC2)CC3)CC[N@@H+]1C ZINC001069861683 1216806506 /nfs/dbraw/zinc/80/65/06/1216806506.db2.gz CSCQQGVSIQSWMO-BFYDXBDKSA-N 2 1 361.490 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[NH+](C[C@H]2CCOC2)CC3)CC[N@H+]1C ZINC001069861683 1216806507 /nfs/dbraw/zinc/80/65/07/1216806507.db2.gz CSCQQGVSIQSWMO-BFYDXBDKSA-N 2 1 361.490 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[N@H+](C[C@H]2CCOC2)CC3)CC[NH+]1C ZINC001069861683 1216806508 /nfs/dbraw/zinc/80/65/08/1216806508.db2.gz CSCQQGVSIQSWMO-BFYDXBDKSA-N 2 1 361.490 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cnn3c2C[N@@H+](C[C@H]2CCOC2)CC3)CC[NH+]1C ZINC001069861683 1216806512 /nfs/dbraw/zinc/80/65/12/1216806512.db2.gz CSCQQGVSIQSWMO-BFYDXBDKSA-N 2 1 361.490 0.692 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905823 1216832559 /nfs/dbraw/zinc/83/25/59/1216832559.db2.gz RIATZAIXIHPJIE-PMPSAXMXSA-N 2 1 364.494 0.386 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905823 1216832562 /nfs/dbraw/zinc/83/25/62/1216832562.db2.gz RIATZAIXIHPJIE-PMPSAXMXSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905823 1216832564 /nfs/dbraw/zinc/83/25/64/1216832564.db2.gz RIATZAIXIHPJIE-PMPSAXMXSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2n2ccnn2)C1 ZINC001069905823 1216832565 /nfs/dbraw/zinc/83/25/65/1216832565.db2.gz RIATZAIXIHPJIE-PMPSAXMXSA-N 2 1 364.494 0.386 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)C12CCC[NH+](CCC1)C2 ZINC001069955612 1216865688 /nfs/dbraw/zinc/86/56/88/1216865688.db2.gz DOJCXCDJCOHSBV-SJORKVTESA-N 2 1 358.490 0.906 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccn2c[nH+]cc2c1 ZINC001069970467 1216876573 /nfs/dbraw/zinc/87/65/73/1216876573.db2.gz HHNHEXJWVNXWRR-SJORKVTESA-N 2 1 351.414 0.991 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006446 1216893520 /nfs/dbraw/zinc/89/35/20/1216893520.db2.gz WLYYLWVPBQAVMY-IXDOHACOSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006446 1216893521 /nfs/dbraw/zinc/89/35/21/1216893521.db2.gz WLYYLWVPBQAVMY-IXDOHACOSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006446 1216893522 /nfs/dbraw/zinc/89/35/22/1216893522.db2.gz WLYYLWVPBQAVMY-IXDOHACOSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006446 1216893525 /nfs/dbraw/zinc/89/35/25/1216893525.db2.gz WLYYLWVPBQAVMY-IXDOHACOSA-N 2 1 364.494 0.385 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025731 1216904084 /nfs/dbraw/zinc/90/40/84/1216904084.db2.gz GYQOIYLPGQRWME-UAGQMJEPSA-N 2 1 357.462 0.797 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070025731 1216904087 /nfs/dbraw/zinc/90/40/87/1216904087.db2.gz GYQOIYLPGQRWME-UAGQMJEPSA-N 2 1 357.462 0.797 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)CC1 ZINC001223378354 1225702319 /nfs/dbraw/zinc/70/23/19/1225702319.db2.gz HNINGCKTOVXPKM-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)CC1 ZINC001223387244 1225702554 /nfs/dbraw/zinc/70/25/54/1225702554.db2.gz CINZKKRSTGPWMF-CVEARBPZSA-N 2 1 363.506 0.276 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)nc(C)[nH+]1 ZINC001041417320 1217321293 /nfs/dbraw/zinc/32/12/93/1217321293.db2.gz GWYCUNVKALSFDT-HZPDHXFCSA-N 2 1 359.474 0.635 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223984803 1225750107 /nfs/dbraw/zinc/75/01/07/1225750107.db2.gz JFRPIBJILBLSLE-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223984803 1225750110 /nfs/dbraw/zinc/75/01/10/1225750110.db2.gz JFRPIBJILBLSLE-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223984803 1225750112 /nfs/dbraw/zinc/75/01/12/1225750112.db2.gz JFRPIBJILBLSLE-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223978196 1225750201 /nfs/dbraw/zinc/75/02/01/1225750201.db2.gz SSZZXSXNYBYTEH-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223978196 1225750205 /nfs/dbraw/zinc/75/02/05/1225750205.db2.gz SSZZXSXNYBYTEH-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223978196 1225750206 /nfs/dbraw/zinc/75/02/06/1225750206.db2.gz SSZZXSXNYBYTEH-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043735055 1217723348 /nfs/dbraw/zinc/72/33/48/1217723348.db2.gz UKRPJLIXUIIFQK-YESZJQIVSA-N 2 1 359.474 0.851 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043735055 1217723350 /nfs/dbraw/zinc/72/33/50/1217723350.db2.gz UKRPJLIXUIIFQK-YESZJQIVSA-N 2 1 359.474 0.851 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001045091122 1217899605 /nfs/dbraw/zinc/89/96/05/1217899605.db2.gz RFBWEZGHPKBXHS-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001045091122 1217899609 /nfs/dbraw/zinc/89/96/09/1217899609.db2.gz RFBWEZGHPKBXHS-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807566 1218039992 /nfs/dbraw/zinc/03/99/92/1218039992.db2.gz UQPBALWLYHZGRI-XLIONFOSSA-N 2 1 373.545 0.798 20 0 FCADMP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807563 1218041010 /nfs/dbraw/zinc/04/10/10/1218041010.db2.gz UQPBALWLYHZGRI-PXNSSMCTSA-N 2 1 373.545 0.798 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCOC2)cn1 ZINC001096140450 1218089895 /nfs/dbraw/zinc/08/98/95/1218089895.db2.gz ZNPFHDXAIUHMRP-RANZSIQMSA-N 2 1 361.490 0.816 20 0 FCADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537269 1218159888 /nfs/dbraw/zinc/15/98/88/1218159888.db2.gz BRJJLQPDCOUWRV-XWSJACJDSA-N 2 1 361.486 0.482 20 0 FCADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537269 1218159892 /nfs/dbraw/zinc/15/98/92/1218159892.db2.gz BRJJLQPDCOUWRV-XWSJACJDSA-N 2 1 361.486 0.482 20 0 FCADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537269 1218159898 /nfs/dbraw/zinc/15/98/98/1218159898.db2.gz BRJJLQPDCOUWRV-XWSJACJDSA-N 2 1 361.486 0.482 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)cc1=O ZINC001096344688 1218257192 /nfs/dbraw/zinc/25/71/92/1218257192.db2.gz RINAOYZOCLXLRJ-RANZSIQMSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001096344688 1218257200 /nfs/dbraw/zinc/25/72/00/1218257200.db2.gz RINAOYZOCLXLRJ-RANZSIQMSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001096344688 1218257207 /nfs/dbraw/zinc/25/72/07/1218257207.db2.gz RINAOYZOCLXLRJ-RANZSIQMSA-N 2 1 358.486 0.949 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001096356870 1218263200 /nfs/dbraw/zinc/26/32/00/1218263200.db2.gz YLDVZQNYMISGNT-NCOADZHNSA-N 2 1 359.474 0.061 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001048528357 1218280160 /nfs/dbraw/zinc/28/01/60/1218280160.db2.gz VQUTWFDTEDVKFD-PNVOZDDCSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)CC[NH+]1C ZINC001048528357 1218280170 /nfs/dbraw/zinc/28/01/70/1218280170.db2.gz VQUTWFDTEDVKFD-PNVOZDDCSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)CC[NH+]1C ZINC001048528357 1218280177 /nfs/dbraw/zinc/28/01/77/1218280177.db2.gz VQUTWFDTEDVKFD-PNVOZDDCSA-N 2 1 362.518 0.964 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048920324 1218341118 /nfs/dbraw/zinc/34/11/18/1218341118.db2.gz MPYQTBUKNMNCNB-WCVJEAGWSA-N 2 1 368.522 0.087 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048920324 1218341120 /nfs/dbraw/zinc/34/11/20/1218341120.db2.gz MPYQTBUKNMNCNB-WCVJEAGWSA-N 2 1 368.522 0.087 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048920324 1218341124 /nfs/dbraw/zinc/34/11/24/1218341124.db2.gz MPYQTBUKNMNCNB-WCVJEAGWSA-N 2 1 368.522 0.087 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049019894 1218365410 /nfs/dbraw/zinc/36/54/10/1218365410.db2.gz WSWPVAGUNHSTMV-WCVJEAGWSA-N 2 1 368.522 0.087 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049019894 1218365416 /nfs/dbraw/zinc/36/54/16/1218365416.db2.gz WSWPVAGUNHSTMV-WCVJEAGWSA-N 2 1 368.522 0.087 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049019894 1218365421 /nfs/dbraw/zinc/36/54/21/1218365421.db2.gz WSWPVAGUNHSTMV-WCVJEAGWSA-N 2 1 368.522 0.087 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508454 1218430597 /nfs/dbraw/zinc/43/05/97/1218430597.db2.gz HLDXDHJQUMVFAG-CALCHBBNSA-N 2 1 360.506 0.876 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547464 1218484420 /nfs/dbraw/zinc/48/44/20/1218484420.db2.gz FHHHPOZXMTUIJL-YYIAUSFCSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547464 1218484431 /nfs/dbraw/zinc/48/44/31/1218484431.db2.gz FHHHPOZXMTUIJL-YYIAUSFCSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCn2cncn2)O1 ZINC001049547464 1218484435 /nfs/dbraw/zinc/48/44/35/1218484435.db2.gz FHHHPOZXMTUIJL-YYIAUSFCSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCn2cncn2)O1 ZINC001049547464 1218484440 /nfs/dbraw/zinc/48/44/40/1218484440.db2.gz FHHHPOZXMTUIJL-YYIAUSFCSA-N 2 1 362.478 0.063 20 0 FCADMP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O)[NH+](C)C ZINC001049577888 1218493783 /nfs/dbraw/zinc/49/37/83/1218493783.db2.gz JTESJZHYLZGWEN-QEOTZNIISA-N 2 1 368.522 0.087 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001225846178 1225826331 /nfs/dbraw/zinc/82/63/31/1225826331.db2.gz DRXOEJOHUFOMMW-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001225846178 1225826333 /nfs/dbraw/zinc/82/63/33/1225826333.db2.gz DRXOEJOHUFOMMW-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225846178 1225826336 /nfs/dbraw/zinc/82/63/36/1225826336.db2.gz DRXOEJOHUFOMMW-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP Nc1nc(C2CC2)nc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903824220 1218548288 /nfs/dbraw/zinc/54/82/88/1218548288.db2.gz NQJCYWNVJIWGTM-HNNXBMFYSA-N 2 1 373.505 0.612 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCOC2)n1 ZINC001097095954 1218687643 /nfs/dbraw/zinc/68/76/43/1218687643.db2.gz ZICXCOHLKXBCQN-IDCNUPLLSA-N 2 1 361.490 0.816 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001097104538 1218688881 /nfs/dbraw/zinc/68/88/81/1218688881.db2.gz AJJBGBGXEQSZBX-JJTUDDRGSA-N 2 1 363.506 0.463 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001097104538 1218688888 /nfs/dbraw/zinc/68/88/88/1218688888.db2.gz AJJBGBGXEQSZBX-JJTUDDRGSA-N 2 1 363.506 0.463 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001097104538 1218688894 /nfs/dbraw/zinc/68/88/94/1218688894.db2.gz AJJBGBGXEQSZBX-JJTUDDRGSA-N 2 1 363.506 0.463 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001097430672 1218808406 /nfs/dbraw/zinc/80/84/06/1218808406.db2.gz OFIDIDYBUYVWGQ-OAGGEKHMSA-N 2 1 361.490 0.362 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001097430672 1218808407 /nfs/dbraw/zinc/80/84/07/1218808407.db2.gz OFIDIDYBUYVWGQ-OAGGEKHMSA-N 2 1 361.490 0.362 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001097549361 1218817092 /nfs/dbraw/zinc/81/70/92/1218817092.db2.gz JCRBVHVMQJULOR-SIXLDLHFSA-N 2 1 353.426 0.900 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001097549361 1218817093 /nfs/dbraw/zinc/81/70/93/1218817093.db2.gz JCRBVHVMQJULOR-SIXLDLHFSA-N 2 1 353.426 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC(C)(C)O)CC2)CC[N@H+]1C ZINC001055569087 1219081929 /nfs/dbraw/zinc/08/19/29/1219081929.db2.gz PIFHSIPUFNGLNG-GDBMZVCRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cc[nH]c3)CC2)CC[N@H+]1C ZINC001055583607 1219087810 /nfs/dbraw/zinc/08/78/10/1219087810.db2.gz UXSGPSYBMFEHHA-RHSMWYFYSA-N 2 1 361.490 0.665 20 0 FCADMP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804054308 1219109031 /nfs/dbraw/zinc/10/90/31/1219109031.db2.gz REDDYQDUPHBKEW-JFIYKMOQSA-N 2 1 372.469 0.269 20 0 FCADMP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804054310 1219109409 /nfs/dbraw/zinc/10/94/09/1219109409.db2.gz REDDYQDUPHBKEW-SOLBZPMBSA-N 2 1 372.469 0.269 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000804058953 1219111799 /nfs/dbraw/zinc/11/17/99/1219111799.db2.gz HAVPZHMLZFKBSI-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000804060027 1219113000 /nfs/dbraw/zinc/11/30/00/1219113000.db2.gz OWPRIEYPKVTPKS-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804058231 1219113675 /nfs/dbraw/zinc/11/36/75/1219113675.db2.gz UFZSGOUXSCWJJU-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061308 1219116606 /nfs/dbraw/zinc/11/66/06/1219116606.db2.gz XITUSVSYCPVPPR-IRXDYDNUSA-N 2 1 364.490 0.053 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001070073240 1219140394 /nfs/dbraw/zinc/14/03/94/1219140394.db2.gz AZAVZQQIQNFFBT-IKGGRYGDSA-N 2 1 364.494 0.267 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001070073240 1219140396 /nfs/dbraw/zinc/14/03/96/1219140396.db2.gz AZAVZQQIQNFFBT-IKGGRYGDSA-N 2 1 364.494 0.267 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070073240 1219140401 /nfs/dbraw/zinc/14/04/01/1219140401.db2.gz AZAVZQQIQNFFBT-IKGGRYGDSA-N 2 1 364.494 0.267 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070073240 1219140403 /nfs/dbraw/zinc/14/04/03/1219140403.db2.gz AZAVZQQIQNFFBT-IKGGRYGDSA-N 2 1 364.494 0.267 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1)OC ZINC001070078179 1219147303 /nfs/dbraw/zinc/14/73/03/1219147303.db2.gz YKKOBYJLRLDFBI-XHSDSOJGSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100392 1219174454 /nfs/dbraw/zinc/17/44/54/1219174454.db2.gz SWDDCSVBSKSWCG-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100392 1219174460 /nfs/dbraw/zinc/17/44/60/1219174460.db2.gz SWDDCSVBSKSWCG-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100392 1219174466 /nfs/dbraw/zinc/17/44/66/1219174466.db2.gz SWDDCSVBSKSWCG-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100392 1219174470 /nfs/dbraw/zinc/17/44/70/1219174470.db2.gz SWDDCSVBSKSWCG-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCOCC2)CC[N@H+]1C ZINC001070123426 1219194802 /nfs/dbraw/zinc/19/48/02/1219194802.db2.gz NQOXQXJTAMTYOG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070123426 1219194807 /nfs/dbraw/zinc/19/48/07/1219194807.db2.gz NQOXQXJTAMTYOG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070123426 1219194809 /nfs/dbraw/zinc/19/48/09/1219194809.db2.gz NQOXQXJTAMTYOG-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158214 1219243951 /nfs/dbraw/zinc/24/39/51/1219243951.db2.gz BDJAQUMIZXVVLH-IKGGRYGDSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158214 1219243954 /nfs/dbraw/zinc/24/39/54/1219243954.db2.gz BDJAQUMIZXVVLH-IKGGRYGDSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)c1 ZINC001070158321 1219244653 /nfs/dbraw/zinc/24/46/53/1219244653.db2.gz FXEBAPMIAFFYBK-KURKYZTESA-N 2 1 369.473 0.617 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)OCC1=O ZINC001277228380 1225880636 /nfs/dbraw/zinc/88/06/36/1225880636.db2.gz MPHRPYKKEHIHEF-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196565 1219287583 /nfs/dbraw/zinc/28/75/83/1219287583.db2.gz FDXQVPNDALYILL-DZUCGIPZSA-N 2 1 373.461 0.456 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196565 1219287588 /nfs/dbraw/zinc/28/75/88/1219287588.db2.gz FDXQVPNDALYILL-DZUCGIPZSA-N 2 1 373.461 0.456 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217821 1219300478 /nfs/dbraw/zinc/30/04/78/1219300478.db2.gz UJXSSNVVRCPFOX-OAGGEKHMSA-N 2 1 361.450 0.456 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)CC2 ZINC001070260417 1219330724 /nfs/dbraw/zinc/33/07/24/1219330724.db2.gz IEMHLCDPBLSINW-NXHRZFHOSA-N 2 1 369.473 0.797 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)C2 ZINC001070275491 1219342175 /nfs/dbraw/zinc/34/21/75/1219342175.db2.gz OYXDCSFSJVWTCZ-NXHRZFHOSA-N 2 1 369.473 0.797 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275364 1219342382 /nfs/dbraw/zinc/34/23/82/1219342382.db2.gz IKTPXYBIENZPCH-UAGQMJEPSA-N 2 1 357.462 0.797 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275363 1219342414 /nfs/dbraw/zinc/34/24/14/1219342414.db2.gz IKTPXYBIENZPCH-OIISXLGYSA-N 2 1 357.462 0.797 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)cn1 ZINC001070327935 1219378332 /nfs/dbraw/zinc/37/83/32/1219378332.db2.gz KAPSOVIQKCEIOX-SJORKVTESA-N 2 1 370.461 0.014 20 0 FCADMP CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070386584 1219408397 /nfs/dbraw/zinc/40/83/97/1219408397.db2.gz ZTODTYTXSLUWNR-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070386584 1219408399 /nfs/dbraw/zinc/40/83/99/1219408399.db2.gz ZTODTYTXSLUWNR-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070386584 1219408402 /nfs/dbraw/zinc/40/84/02/1219408402.db2.gz ZTODTYTXSLUWNR-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070386584 1219408404 /nfs/dbraw/zinc/40/84/04/1219408404.db2.gz ZTODTYTXSLUWNR-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070475526 1219426039 /nfs/dbraw/zinc/42/60/39/1219426039.db2.gz SITRSOSJUBQJQK-UHOSZYNNSA-N 2 1 368.485 0.994 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070542949 1219460246 /nfs/dbraw/zinc/46/02/46/1219460246.db2.gz CBSUSQAFUROEBR-JQHSSLGASA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070563928 1219470774 /nfs/dbraw/zinc/47/07/74/1219470774.db2.gz LYLRUUHUROWKSJ-XYJFISCASA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629832 1219494658 /nfs/dbraw/zinc/49/46/58/1219494658.db2.gz TUGMIVRVNBIASU-BRWVUGGUSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070718967 1219541559 /nfs/dbraw/zinc/54/15/59/1219541559.db2.gz MZGFVSXQQSDIDM-DJIMGWMZSA-N 2 1 371.489 0.190 20 0 FCADMP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923753 1219581949 /nfs/dbraw/zinc/58/19/49/1219581949.db2.gz BLWHHQSWMFOARO-ZACQAIPSSA-N 2 1 364.490 0.988 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001277283473 1225906053 /nfs/dbraw/zinc/90/60/53/1225906053.db2.gz QTDGBAHNJJFRQM-LJQANCHMSA-N 3 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001277283473 1225906059 /nfs/dbraw/zinc/90/60/59/1225906059.db2.gz QTDGBAHNJJFRQM-LJQANCHMSA-N 3 1 357.458 0.928 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC001070926660 1219583483 /nfs/dbraw/zinc/58/34/83/1219583483.db2.gz MLNKCDNJIQNCHX-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC001070926660 1219583486 /nfs/dbraw/zinc/58/34/86/1219583486.db2.gz MLNKCDNJIQNCHX-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071043045 1219593470 /nfs/dbraw/zinc/59/34/70/1219593470.db2.gz UBRRHRMDIIJUTD-IKGGRYGDSA-N 2 1 363.462 0.650 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071043045 1219593473 /nfs/dbraw/zinc/59/34/73/1219593473.db2.gz UBRRHRMDIIJUTD-IKGGRYGDSA-N 2 1 363.462 0.650 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001071103911 1219607820 /nfs/dbraw/zinc/60/78/20/1219607820.db2.gz FVBJETWNDPQOBZ-MJEQTWJJSA-N 2 1 363.462 0.051 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071106615 1219608412 /nfs/dbraw/zinc/60/84/12/1219608412.db2.gz MBGWPAZSDDXCRT-NUJGCVRESA-N 2 1 366.506 0.332 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)CC[N@H+]1C ZINC001072754899 1219621811 /nfs/dbraw/zinc/62/18/11/1219621811.db2.gz JHLHCRNKAVOCIK-JKSUJKDBSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCN2CCNC2=O)C3)CC[NH+]1C ZINC001072754899 1219621814 /nfs/dbraw/zinc/62/18/14/1219621814.db2.gz JHLHCRNKAVOCIK-JKSUJKDBSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCN2CCNC2=O)C3)CC[NH+]1C ZINC001072754899 1219621817 /nfs/dbraw/zinc/62/18/17/1219621817.db2.gz JHLHCRNKAVOCIK-JKSUJKDBSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCN(CC)C2=O)C3)CC[N@H+]1C ZINC001072755160 1219621960 /nfs/dbraw/zinc/62/19/60/1219621960.db2.gz WWQMPSBNJQRGDJ-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCN(CC)C2=O)C3)CC[NH+]1C ZINC001072755160 1219621963 /nfs/dbraw/zinc/62/19/63/1219621963.db2.gz WWQMPSBNJQRGDJ-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCN(CC)C2=O)C3)CC[NH+]1C ZINC001072755160 1219621967 /nfs/dbraw/zinc/62/19/67/1219621967.db2.gz WWQMPSBNJQRGDJ-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)CC[N@H+]1C ZINC001072755119 1219622046 /nfs/dbraw/zinc/62/20/46/1219622046.db2.gz UCHLKAIILYZUEP-ZNMIVQPWSA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC001072755119 1219622047 /nfs/dbraw/zinc/62/20/47/1219622047.db2.gz UCHLKAIILYZUEP-ZNMIVQPWSA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCC(=O)NC2=O)C3)CC[NH+]1C ZINC001072755119 1219622051 /nfs/dbraw/zinc/62/20/51/1219622051.db2.gz UCHLKAIILYZUEP-ZNMIVQPWSA-N 2 1 362.474 0.056 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073125340 1219638569 /nfs/dbraw/zinc/63/85/69/1219638569.db2.gz SHOGNSXINMUATR-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073125340 1219638576 /nfs/dbraw/zinc/63/85/76/1219638576.db2.gz SHOGNSXINMUATR-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073125340 1219638578 /nfs/dbraw/zinc/63/85/78/1219638578.db2.gz SHOGNSXINMUATR-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073125340 1219638583 /nfs/dbraw/zinc/63/85/83/1219638583.db2.gz SHOGNSXINMUATR-HZPDHXFCSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCc3cnn(C)c3)CCCO2)CC[N@H+]1C ZINC001073611270 1219673120 /nfs/dbraw/zinc/67/31/20/1219673120.db2.gz SCHAQCAMZFITCY-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073611270 1219673123 /nfs/dbraw/zinc/67/31/23/1219673123.db2.gz SCHAQCAMZFITCY-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073611270 1219673126 /nfs/dbraw/zinc/67/31/26/1219673126.db2.gz SCHAQCAMZFITCY-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001074603455 1219701315 /nfs/dbraw/zinc/70/13/15/1219701315.db2.gz KHEWVAJNTWWZRY-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNC(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001074604589 1219702790 /nfs/dbraw/zinc/70/27/90/1219702790.db2.gz HEQUWWKZWCBIOP-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP COc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074709864 1219717396 /nfs/dbraw/zinc/71/73/96/1219717396.db2.gz UCNZGDGLCICHLI-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP COc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074709864 1219717401 /nfs/dbraw/zinc/71/74/01/1219717401.db2.gz UCNZGDGLCICHLI-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074728521 1219719418 /nfs/dbraw/zinc/71/94/18/1219719418.db2.gz NPMYLLSTYFZTLI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074728521 1219719423 /nfs/dbraw/zinc/71/94/23/1219719423.db2.gz NPMYLLSTYFZTLI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074728521 1219719428 /nfs/dbraw/zinc/71/94/28/1219719428.db2.gz NPMYLLSTYFZTLI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001098408016 1219774615 /nfs/dbraw/zinc/77/46/15/1219774615.db2.gz XCZZWOUXGPQLSM-FPCVCCKLSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001098408016 1219774618 /nfs/dbraw/zinc/77/46/18/1219774618.db2.gz XCZZWOUXGPQLSM-FPCVCCKLSA-N 2 1 355.446 0.692 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001098842277 1219838570 /nfs/dbraw/zinc/83/85/70/1219838570.db2.gz ZMVAFBXGASNYIS-LNLFQRSKSA-N 2 1 358.490 0.591 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030038 1219892161 /nfs/dbraw/zinc/89/21/61/1219892161.db2.gz UNVMAMPCPKOMKR-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030038 1219892164 /nfs/dbraw/zinc/89/21/64/1219892164.db2.gz UNVMAMPCPKOMKR-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C2CC2)C3)C1 ZINC001099030038 1219892167 /nfs/dbraw/zinc/89/21/67/1219892167.db2.gz UNVMAMPCPKOMKR-FTRWYGJKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001099026518 1219892382 /nfs/dbraw/zinc/89/23/82/1219892382.db2.gz DBFXSOXZLIOGIE-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001099026518 1219892383 /nfs/dbraw/zinc/89/23/83/1219892383.db2.gz DBFXSOXZLIOGIE-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001099026518 1219892386 /nfs/dbraw/zinc/89/23/86/1219892386.db2.gz DBFXSOXZLIOGIE-BXWFABGCSA-N 2 1 363.506 0.467 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099118841 1219919738 /nfs/dbraw/zinc/91/97/38/1219919738.db2.gz DMLJAZIRIJPTOG-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099118841 1219919741 /nfs/dbraw/zinc/91/97/41/1219919741.db2.gz DMLJAZIRIJPTOG-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099118841 1219919746 /nfs/dbraw/zinc/91/97/46/1219919746.db2.gz DMLJAZIRIJPTOG-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099122444 1219921126 /nfs/dbraw/zinc/92/11/26/1219921126.db2.gz UCSIBYOAXBMBAS-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)C1 ZINC001099122444 1219921128 /nfs/dbraw/zinc/92/11/28/1219921128.db2.gz UCSIBYOAXBMBAS-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)C1 ZINC001099122444 1219921132 /nfs/dbraw/zinc/92/11/32/1219921132.db2.gz UCSIBYOAXBMBAS-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001099273621 1219960137 /nfs/dbraw/zinc/96/01/37/1219960137.db2.gz ZFKVKHBYPGQHTE-CHWSQXEVSA-N 2 1 369.347 0.721 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228602086 1225935938 /nfs/dbraw/zinc/93/59/38/1225935938.db2.gz CGTNCSSCSRYKJR-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001099496153 1220014445 /nfs/dbraw/zinc/01/44/45/1220014445.db2.gz DFCRIIRQIFQOHA-FTRWYGJKSA-N 2 1 362.518 0.825 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnon2)C1 ZINC001099515581 1220020151 /nfs/dbraw/zinc/02/01/51/1220020151.db2.gz YVPNWDSAVXPUHD-YJBOKZPZSA-N 2 1 363.462 0.510 20 0 FCADMP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099535649 1220026489 /nfs/dbraw/zinc/02/64/89/1220026489.db2.gz QTASZXANEFJFPR-BXWFABGCSA-N 2 1 360.506 0.968 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1C ZINC000751799366 1220043444 /nfs/dbraw/zinc/04/34/44/1220043444.db2.gz QDXRDAAQYPOZFE-INIZCTEOSA-N 2 1 364.494 0.929 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)CCC1 ZINC001101266771 1220256746 /nfs/dbraw/zinc/25/67/46/1220256746.db2.gz USROBUSTXVIXMX-APWZRJJASA-N 2 1 362.518 0.777 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291603 1220272000 /nfs/dbraw/zinc/27/20/00/1220272000.db2.gz TYVZAFXOUQHKPR-SUMDDJOVSA-N 2 1 358.442 0.736 20 0 FCADMP C[C@]12CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101310573 1220281171 /nfs/dbraw/zinc/28/11/71/1220281171.db2.gz NAOZVMSUMHZTQL-GGPKGHCWSA-N 2 1 365.518 0.650 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC1 ZINC001101341284 1220293895 /nfs/dbraw/zinc/29/38/95/1220293895.db2.gz GJXMRPWHOSONPY-APWZRJJASA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101342873 1220295175 /nfs/dbraw/zinc/29/51/75/1220295175.db2.gz RFDJCHUFXZFAQY-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101349045 1220297764 /nfs/dbraw/zinc/29/77/64/1220297764.db2.gz UXNJZEYCUXQGIO-XLIONFOSSA-N 2 1 364.534 0.881 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101398083 1220322683 /nfs/dbraw/zinc/32/26/83/1220322683.db2.gz WYICYNFXYFLMMT-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418577 1220333122 /nfs/dbraw/zinc/33/31/22/1220333122.db2.gz YWDXDRSGAKQTCO-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418577 1220333128 /nfs/dbraw/zinc/33/31/28/1220333128.db2.gz YWDXDRSGAKQTCO-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101418577 1220333133 /nfs/dbraw/zinc/33/31/33/1220333133.db2.gz YWDXDRSGAKQTCO-AOIWGVFYSA-N 2 1 371.522 0.132 20 0 FCADMP Cc1noc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432184 1220341480 /nfs/dbraw/zinc/34/14/80/1220341480.db2.gz GESHQCIGKSZUDT-SIIHOXLZSA-N 2 1 365.478 0.798 20 0 FCADMP Cc1noc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432184 1220341484 /nfs/dbraw/zinc/34/14/84/1220341484.db2.gz GESHQCIGKSZUDT-SIIHOXLZSA-N 2 1 365.478 0.798 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441100 1220347077 /nfs/dbraw/zinc/34/70/77/1220347077.db2.gz MBMVEQOXIRSPNF-VCBZYWHSSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441100 1220347083 /nfs/dbraw/zinc/34/70/83/1220347083.db2.gz MBMVEQOXIRSPNF-VCBZYWHSSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101441100 1220347088 /nfs/dbraw/zinc/34/70/88/1220347088.db2.gz MBMVEQOXIRSPNF-VCBZYWHSSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443255 1220347349 /nfs/dbraw/zinc/34/73/49/1220347349.db2.gz BIBPMHYUWCNMCF-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443255 1220347352 /nfs/dbraw/zinc/34/73/52/1220347352.db2.gz BIBPMHYUWCNMCF-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443255 1220347355 /nfs/dbraw/zinc/34/73/55/1220347355.db2.gz BIBPMHYUWCNMCF-GJYPPUQNSA-N 2 1 360.506 0.888 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461490 1220359075 /nfs/dbraw/zinc/35/90/75/1220359075.db2.gz DVXVYLBEOKMROO-OGWOLHLISA-N 2 1 361.490 0.887 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461490 1220359079 /nfs/dbraw/zinc/35/90/79/1220359079.db2.gz DVXVYLBEOKMROO-OGWOLHLISA-N 2 1 361.490 0.887 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001101464386 1220361472 /nfs/dbraw/zinc/36/14/72/1220361472.db2.gz GHVFCWOEOMDFJM-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469522 1220363145 /nfs/dbraw/zinc/36/31/45/1220363145.db2.gz VHKJTHVIYKWKDO-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469522 1220363150 /nfs/dbraw/zinc/36/31/50/1220363150.db2.gz VHKJTHVIYKWKDO-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469522 1220363154 /nfs/dbraw/zinc/36/31/54/1220363154.db2.gz VHKJTHVIYKWKDO-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469522 1220363159 /nfs/dbraw/zinc/36/31/59/1220363159.db2.gz VHKJTHVIYKWKDO-HBFSDRIKSA-N 2 1 365.518 0.914 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819602 1220409133 /nfs/dbraw/zinc/40/91/33/1220409133.db2.gz NZAGGUWYNHVSJA-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819602 1220409134 /nfs/dbraw/zinc/40/91/34/1220409134.db2.gz NZAGGUWYNHVSJA-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819602 1220409137 /nfs/dbraw/zinc/40/91/37/1220409137.db2.gz NZAGGUWYNHVSJA-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101975758 1220449887 /nfs/dbraw/zinc/44/98/87/1220449887.db2.gz BQLFMHBAKNLETC-OLMNPRSZSA-N 2 1 362.518 0.539 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102070841 1220486492 /nfs/dbraw/zinc/48/64/92/1220486492.db2.gz VEWBNOHYERHZAR-NUJGCVRESA-N 2 1 368.522 0.116 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102104344 1220497168 /nfs/dbraw/zinc/49/71/68/1220497168.db2.gz QAXXIRUTMLBVFG-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102104344 1220497179 /nfs/dbraw/zinc/49/71/79/1220497179.db2.gz QAXXIRUTMLBVFG-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102104344 1220497185 /nfs/dbraw/zinc/49/71/85/1220497185.db2.gz QAXXIRUTMLBVFG-NVXWUHKLSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119549 1220507702 /nfs/dbraw/zinc/50/77/02/1220507702.db2.gz RNLPGXHTMLMWNR-NVXWUHKLSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102122727 1220511556 /nfs/dbraw/zinc/51/15/56/1220511556.db2.gz IXGCOEDZASSOOR-NVXWUHKLSA-N 2 1 362.518 0.825 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102157947 1220530328 /nfs/dbraw/zinc/53/03/28/1220530328.db2.gz WFNVDOQENFGGHW-OIISXLGYSA-N 2 1 360.462 0.133 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102157947 1220530333 /nfs/dbraw/zinc/53/03/33/1220530333.db2.gz WFNVDOQENFGGHW-OIISXLGYSA-N 2 1 360.462 0.133 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171265 1220533022 /nfs/dbraw/zinc/53/30/22/1220533022.db2.gz OYWMIQMQTAAPLM-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP COCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171265 1220533028 /nfs/dbraw/zinc/53/30/28/1220533028.db2.gz OYWMIQMQTAAPLM-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP COCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171265 1220533034 /nfs/dbraw/zinc/53/30/34/1220533034.db2.gz OYWMIQMQTAAPLM-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185883 1220541567 /nfs/dbraw/zinc/54/15/67/1220541567.db2.gz YIBPGRQIBPBDEA-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185883 1220541574 /nfs/dbraw/zinc/54/15/74/1220541574.db2.gz YIBPGRQIBPBDEA-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215793 1220557127 /nfs/dbraw/zinc/55/71/27/1220557127.db2.gz ZHGSZNLARGSESC-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215793 1220557129 /nfs/dbraw/zinc/55/71/29/1220557129.db2.gz ZHGSZNLARGSESC-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312590 1220581913 /nfs/dbraw/zinc/58/19/13/1220581913.db2.gz FELIQRIITDTLEA-NVXWUHKLSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454804 1220629755 /nfs/dbraw/zinc/62/97/55/1220629755.db2.gz SPSNKZXPPPOFAJ-BRWVUGGUSA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473924 1220643704 /nfs/dbraw/zinc/64/37/04/1220643704.db2.gz WOSQWLMICBHBRX-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102473643 1220644123 /nfs/dbraw/zinc/64/41/23/1220644123.db2.gz JNTBGIMQQKWWOR-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488843 1220651957 /nfs/dbraw/zinc/65/19/57/1220651957.db2.gz KNEDZZSDGSDSHY-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102496482 1220656605 /nfs/dbraw/zinc/65/66/05/1220656605.db2.gz XLXMJGUCVJFAKX-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102496482 1220656610 /nfs/dbraw/zinc/65/66/10/1220656610.db2.gz XLXMJGUCVJFAKX-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102496482 1220656614 /nfs/dbraw/zinc/65/66/14/1220656614.db2.gz XLXMJGUCVJFAKX-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102496482 1220656617 /nfs/dbraw/zinc/65/66/17/1220656617.db2.gz XLXMJGUCVJFAKX-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141695 1225983588 /nfs/dbraw/zinc/98/35/88/1225983588.db2.gz IHLCPLRTXNNFMG-QZTJIDSGSA-N 2 1 363.506 0.968 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)ccn1 ZINC001102511489 1220669997 /nfs/dbraw/zinc/66/99/97/1220669997.db2.gz ZCUHBZGNJXNPFZ-NVXWUHKLSA-N 2 1 364.490 0.853 20 0 FCADMP CC(C)c1nnc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102511199 1220670366 /nfs/dbraw/zinc/67/03/66/1220670366.db2.gz NHYOPMVRDOPUKS-HUUCEWRRSA-N 2 1 367.494 0.955 20 0 FCADMP CC(C)c1nnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102511199 1220670369 /nfs/dbraw/zinc/67/03/69/1220670369.db2.gz NHYOPMVRDOPUKS-HUUCEWRRSA-N 2 1 367.494 0.955 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513342 1220671851 /nfs/dbraw/zinc/67/18/51/1220671851.db2.gz GSSZPHHFUFZIFF-BZUAXINKSA-N 2 1 364.494 0.028 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513455 1220672738 /nfs/dbraw/zinc/67/27/38/1220672738.db2.gz LGKUBYHJSARTIS-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102514496 1220673471 /nfs/dbraw/zinc/67/34/71/1220673471.db2.gz YWYJINLYBSRVKI-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513911 1220673628 /nfs/dbraw/zinc/67/36/28/1220673628.db2.gz GKRHDMRWAWOGGN-IXDOHACOSA-N 2 1 370.538 0.409 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514102 1220673763 /nfs/dbraw/zinc/67/37/63/1220673763.db2.gz MTYHTMXUFYHEOH-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514428 1220673885 /nfs/dbraw/zinc/67/38/85/1220673885.db2.gz WYUUVKZNZOICSV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514428 1220673888 /nfs/dbraw/zinc/67/38/88/1220673888.db2.gz WYUUVKZNZOICSV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001102514428 1220673891 /nfs/dbraw/zinc/67/38/91/1220673891.db2.gz WYUUVKZNZOICSV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001102514428 1220673893 /nfs/dbraw/zinc/67/38/93/1220673893.db2.gz WYUUVKZNZOICSV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514777 1220673918 /nfs/dbraw/zinc/67/39/18/1220673918.db2.gz NBDUCIGJWUORNG-OWCLPIDISA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514777 1220673921 /nfs/dbraw/zinc/67/39/21/1220673921.db2.gz NBDUCIGJWUORNG-OWCLPIDISA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514777 1220673925 /nfs/dbraw/zinc/67/39/25/1220673925.db2.gz NBDUCIGJWUORNG-OWCLPIDISA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521130 1220678487 /nfs/dbraw/zinc/67/84/87/1220678487.db2.gz RWBVLVIBTBEOKK-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580542 1220702331 /nfs/dbraw/zinc/70/23/31/1220702331.db2.gz BNAGTPWVBUEBPT-FGTMMUONSA-N 2 1 371.522 0.302 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C ZINC001102580546 1220703158 /nfs/dbraw/zinc/70/31/58/1220703158.db2.gz BQPQWQPJDZVINE-FGTMMUONSA-N 2 1 363.506 0.536 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580283 1220703849 /nfs/dbraw/zinc/70/38/49/1220703849.db2.gz ORXIARYPMWVWAQ-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783074 1220781957 /nfs/dbraw/zinc/78/19/57/1220781957.db2.gz UUEMGVJTBXHORF-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102783074 1220781960 /nfs/dbraw/zinc/78/19/60/1220781960.db2.gz UUEMGVJTBXHORF-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102783074 1220781964 /nfs/dbraw/zinc/78/19/64/1220781964.db2.gz UUEMGVJTBXHORF-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993655 1220817393 /nfs/dbraw/zinc/81/73/93/1220817393.db2.gz DKHYUSWALAUGAP-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103086858 1220831009 /nfs/dbraw/zinc/83/10/09/1220831009.db2.gz UMHVMXCGTFBLNI-XPKDYRNWSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185773 1220847759 /nfs/dbraw/zinc/84/77/59/1220847759.db2.gz PNBWMOINVRHRGW-HUUCEWRRSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185773 1220847761 /nfs/dbraw/zinc/84/77/61/1220847761.db2.gz PNBWMOINVRHRGW-HUUCEWRRSA-N 2 1 361.494 0.413 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365224 1220870975 /nfs/dbraw/zinc/87/09/75/1220870975.db2.gz URJYCTIBDBDARZ-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103365224 1220870976 /nfs/dbraw/zinc/87/09/76/1220870976.db2.gz URJYCTIBDBDARZ-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103365224 1220870979 /nfs/dbraw/zinc/87/09/79/1220870979.db2.gz URJYCTIBDBDARZ-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374950 1220872689 /nfs/dbraw/zinc/87/26/89/1220872689.db2.gz RRTUORWBWSSUEY-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001103396920 1220877342 /nfs/dbraw/zinc/87/73/42/1220877342.db2.gz QCCALCBSQXBQMN-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001103396920 1220877343 /nfs/dbraw/zinc/87/73/43/1220877343.db2.gz QCCALCBSQXBQMN-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001103407696 1220878050 /nfs/dbraw/zinc/87/80/50/1220878050.db2.gz PNIQDLPECCVVGL-IIAWOOMASA-N 2 1 366.510 0.269 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535475 1220896866 /nfs/dbraw/zinc/89/68/66/1220896866.db2.gz LUCKGXAQEFEQHH-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535475 1220896869 /nfs/dbraw/zinc/89/68/69/1220896869.db2.gz LUCKGXAQEFEQHH-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584218 1220907868 /nfs/dbraw/zinc/90/78/68/1220907868.db2.gz HVZQNKQQTNEJCG-BFYDXBDKSA-N 2 1 368.522 0.435 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643966 1220926201 /nfs/dbraw/zinc/92/62/01/1220926201.db2.gz ZQDJCNIXDBMMHM-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103643872 1220926287 /nfs/dbraw/zinc/92/62/87/1220926287.db2.gz UHBLYBGQOHKJTE-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103643872 1220926291 /nfs/dbraw/zinc/92/62/91/1220926291.db2.gz UHBLYBGQOHKJTE-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646989 1220927949 /nfs/dbraw/zinc/92/79/49/1220927949.db2.gz OSINBYDWODODJL-HZPDHXFCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655832 1220930777 /nfs/dbraw/zinc/93/07/77/1220930777.db2.gz DLUKSOCWINUHFU-QLFBSQMISA-N 2 1 369.510 0.376 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001229340126 1226004778 /nfs/dbraw/zinc/00/47/78/1226004778.db2.gz HJRMFGAEJWLNIP-HZPDHXFCSA-N 2 1 356.430 0.644 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718910 1220950959 /nfs/dbraw/zinc/95/09/59/1220950959.db2.gz JYPULDKEBSFYMR-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718910 1220950971 /nfs/dbraw/zinc/95/09/71/1220950971.db2.gz JYPULDKEBSFYMR-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718910 1220950982 /nfs/dbraw/zinc/95/09/82/1220950982.db2.gz JYPULDKEBSFYMR-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718910 1220950988 /nfs/dbraw/zinc/95/09/88/1220950988.db2.gz JYPULDKEBSFYMR-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722236 1220953153 /nfs/dbraw/zinc/95/31/53/1220953153.db2.gz COIYAIZMODHJJM-HUUCEWRRSA-N 2 1 361.494 0.678 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722236 1220953158 /nfs/dbraw/zinc/95/31/58/1220953158.db2.gz COIYAIZMODHJJM-HUUCEWRRSA-N 2 1 361.494 0.678 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103724653 1220953975 /nfs/dbraw/zinc/95/39/75/1220953975.db2.gz NPBQXRLTOFAXEM-IJEWVQPXSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103724653 1220953976 /nfs/dbraw/zinc/95/39/76/1220953976.db2.gz NPBQXRLTOFAXEM-IJEWVQPXSA-N 2 1 361.490 0.933 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740535 1220958133 /nfs/dbraw/zinc/95/81/33/1220958133.db2.gz LKKALSXEZPUKQE-ZACQAIPSSA-N 2 1 364.494 0.073 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740535 1220958135 /nfs/dbraw/zinc/95/81/35/1220958135.db2.gz LKKALSXEZPUKQE-ZACQAIPSSA-N 2 1 364.494 0.073 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740535 1220958137 /nfs/dbraw/zinc/95/81/37/1220958137.db2.gz LKKALSXEZPUKQE-ZACQAIPSSA-N 2 1 364.494 0.073 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001103740535 1220958140 /nfs/dbraw/zinc/95/81/40/1220958140.db2.gz LKKALSXEZPUKQE-ZACQAIPSSA-N 2 1 364.494 0.073 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740419 1220958199 /nfs/dbraw/zinc/95/81/99/1220958199.db2.gz HAJYXBNRQXJHGY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740419 1220958201 /nfs/dbraw/zinc/95/82/01/1220958201.db2.gz HAJYXBNRQXJHGY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740419 1220958204 /nfs/dbraw/zinc/95/82/04/1220958204.db2.gz HAJYXBNRQXJHGY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740419 1220958206 /nfs/dbraw/zinc/95/82/06/1220958206.db2.gz HAJYXBNRQXJHGY-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742737 1220959933 /nfs/dbraw/zinc/95/99/33/1220959933.db2.gz UFFFQABPEKXEFP-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742737 1220959937 /nfs/dbraw/zinc/95/99/37/1220959937.db2.gz UFFFQABPEKXEFP-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742737 1220959941 /nfs/dbraw/zinc/95/99/41/1220959941.db2.gz UFFFQABPEKXEFP-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001103742737 1220959947 /nfs/dbraw/zinc/95/99/47/1220959947.db2.gz UFFFQABPEKXEFP-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104032305 1221000761 /nfs/dbraw/zinc/00/07/61/1221000761.db2.gz PWFJJRSJBXGPFT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104032305 1221000764 /nfs/dbraw/zinc/00/07/64/1221000764.db2.gz PWFJJRSJBXGPFT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104217588 1221023030 /nfs/dbraw/zinc/02/30/30/1221023030.db2.gz QDAQCQCJODHIAL-IOASZLSFSA-N 2 1 362.478 0.350 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104217588 1221023034 /nfs/dbraw/zinc/02/30/34/1221023034.db2.gz QDAQCQCJODHIAL-IOASZLSFSA-N 2 1 362.478 0.350 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751083 1221088698 /nfs/dbraw/zinc/08/86/98/1221088698.db2.gz JMUWALIDCZINRP-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751083 1221088701 /nfs/dbraw/zinc/08/87/01/1221088701.db2.gz JMUWALIDCZINRP-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1nnc2n1CCOC2 ZINC001229503050 1226015207 /nfs/dbraw/zinc/01/52/07/1226015207.db2.gz DGQXWOSLTTYTSX-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001229503050 1226015212 /nfs/dbraw/zinc/01/52/12/1226015212.db2.gz DGQXWOSLTTYTSX-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001229503050 1226015216 /nfs/dbraw/zinc/01/52/16/1226015216.db2.gz DGQXWOSLTTYTSX-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779140 1221105034 /nfs/dbraw/zinc/10/50/34/1221105034.db2.gz WLULCUCJXDNPLP-RFUYNDQBSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779140 1221105036 /nfs/dbraw/zinc/10/50/36/1221105036.db2.gz WLULCUCJXDNPLP-RFUYNDQBSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779140 1221105040 /nfs/dbraw/zinc/10/50/40/1221105040.db2.gz WLULCUCJXDNPLP-RFUYNDQBSA-N 2 1 362.474 0.247 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001111854842 1221137701 /nfs/dbraw/zinc/13/77/01/1221137701.db2.gz VJKYRDWKBFFDSO-KXBFYZLASA-N 2 1 364.490 0.448 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857884 1221138235 /nfs/dbraw/zinc/13/82/35/1221138235.db2.gz CYQVALCGGJUZHP-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858011 1221138540 /nfs/dbraw/zinc/13/85/40/1221138540.db2.gz KDHWKQUXVGPBNJ-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858011 1221138542 /nfs/dbraw/zinc/13/85/42/1221138542.db2.gz KDHWKQUXVGPBNJ-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001111855869 1221138593 /nfs/dbraw/zinc/13/85/93/1221138593.db2.gz PWBIFQFSZZPJMI-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864601 1221141415 /nfs/dbraw/zinc/14/14/15/1221141415.db2.gz XYAFHWBFMDVEAQ-GJYPPUQNSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917191 1221166987 /nfs/dbraw/zinc/16/69/87/1221166987.db2.gz PWANHWSKDKYUFM-QOKNQOGYSA-N 2 1 366.506 0.332 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000782582169 1221172314 /nfs/dbraw/zinc/17/23/14/1221172314.db2.gz XAZNDGXFGPSTSE-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938078 1221179073 /nfs/dbraw/zinc/17/90/73/1221179073.db2.gz KGRPPODETJXQOH-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938078 1221179074 /nfs/dbraw/zinc/17/90/74/1221179074.db2.gz KGRPPODETJXQOH-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111939639 1221179980 /nfs/dbraw/zinc/17/99/80/1221179980.db2.gz KOILZGIJPOCEHR-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C2 ZINC001111949765 1221182020 /nfs/dbraw/zinc/18/20/20/1221182020.db2.gz RSMSBZXKBWYUIA-GLJUWKHASA-N 2 1 367.494 0.143 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCNC(C)=O)C2 ZINC001111952449 1221182675 /nfs/dbraw/zinc/18/26/75/1221182675.db2.gz IRUSFEVCFOMZKY-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCNC(C)=O)C2 ZINC001111952449 1221182679 /nfs/dbraw/zinc/18/26/79/1221182679.db2.gz IRUSFEVCFOMZKY-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCNC(C)=O)C2 ZINC001111952449 1221182680 /nfs/dbraw/zinc/18/26/80/1221182680.db2.gz IRUSFEVCFOMZKY-HKUYNNGSSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)COCCOC)C2 ZINC001111952474 1221183108 /nfs/dbraw/zinc/18/31/08/1221183108.db2.gz JJFDTYGKHVBPBJ-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)COCCOC)C2 ZINC001111952474 1221183112 /nfs/dbraw/zinc/18/31/12/1221183112.db2.gz JJFDTYGKHVBPBJ-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)COCCOC)C2 ZINC001111952474 1221183114 /nfs/dbraw/zinc/18/31/14/1221183114.db2.gz JJFDTYGKHVBPBJ-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983857 1221193839 /nfs/dbraw/zinc/19/38/39/1221193839.db2.gz SPXWYLNNNDVQDV-BXWFABGCSA-N 2 1 365.522 0.616 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983857 1221193841 /nfs/dbraw/zinc/19/38/41/1221193841.db2.gz SPXWYLNNNDVQDV-BXWFABGCSA-N 2 1 365.522 0.616 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983857 1221193844 /nfs/dbraw/zinc/19/38/44/1221193844.db2.gz SPXWYLNNNDVQDV-BXWFABGCSA-N 2 1 365.522 0.616 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112007854 1221200056 /nfs/dbraw/zinc/20/00/56/1221200056.db2.gz GOYFIJZWIIGTAO-KSSFIOAISA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112007854 1221200059 /nfs/dbraw/zinc/20/00/59/1221200059.db2.gz GOYFIJZWIIGTAO-KSSFIOAISA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112007854 1221200060 /nfs/dbraw/zinc/20/00/60/1221200060.db2.gz GOYFIJZWIIGTAO-KSSFIOAISA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112007854 1221200061 /nfs/dbraw/zinc/20/00/61/1221200061.db2.gz GOYFIJZWIIGTAO-KSSFIOAISA-N 2 1 367.494 0.143 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001112439336 1221259378 /nfs/dbraw/zinc/25/93/78/1221259378.db2.gz UWBVFXOPLYLFHL-KSSFIOAISA-N 2 1 363.510 0.659 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001112439336 1221259381 /nfs/dbraw/zinc/25/93/81/1221259381.db2.gz UWBVFXOPLYLFHL-KSSFIOAISA-N 2 1 363.510 0.659 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229837839 1226036656 /nfs/dbraw/zinc/03/66/56/1226036656.db2.gz XCEVRGSJZMKZSQ-RCCFBDPRSA-N 2 1 365.522 0.993 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001117311820 1221514900 /nfs/dbraw/zinc/51/49/00/1221514900.db2.gz OXONFOVVFRGRHW-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCc2ccco2)C1 ZINC001230138020 1226056997 /nfs/dbraw/zinc/05/69/97/1226056997.db2.gz CEBFWGDTOZJNNE-USXIJHARSA-N 2 1 362.474 0.865 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001117985822 1221677677 /nfs/dbraw/zinc/67/76/77/1221677677.db2.gz XIIULBDPOPIKIY-SFHVURJKSA-N 2 1 374.485 0.134 20 0 FCADMP Cc1c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)nnn1C1CC[NH2+]CC1 ZINC001118200277 1221731460 /nfs/dbraw/zinc/73/14/60/1221731460.db2.gz HKMJEBQTEAWHBE-UHFFFAOYSA-N 2 1 372.477 0.643 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118222188 1221736935 /nfs/dbraw/zinc/73/69/35/1221736935.db2.gz RZOJZJLXSSBYDI-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118222188 1221736940 /nfs/dbraw/zinc/73/69/40/1221736940.db2.gz RZOJZJLXSSBYDI-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP CC(C)C[NH2+]CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001118269374 1221748799 /nfs/dbraw/zinc/74/87/99/1221748799.db2.gz DPMJVUQLCPKNJM-UHFFFAOYSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC001118330744 1221761632 /nfs/dbraw/zinc/76/16/32/1221761632.db2.gz YCSZXCJSNWZYRC-ZHCJQAHYSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC001118330742 1221761915 /nfs/dbraw/zinc/76/19/15/1221761915.db2.gz YCSZXCJSNWZYRC-HMDCTGQHSA-N 2 1 366.506 0.330 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001230284571 1226071861 /nfs/dbraw/zinc/07/18/61/1226071861.db2.gz LJJLRYKNGPHUOI-GVDBMIGSSA-N 2 1 368.522 0.639 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001230284352 1226072007 /nfs/dbraw/zinc/07/20/07/1226072007.db2.gz AAUYDFXCDKHZRH-HUUCEWRRSA-N 2 1 364.494 0.666 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001230284352 1226072015 /nfs/dbraw/zinc/07/20/15/1226072015.db2.gz AAUYDFXCDKHZRH-HUUCEWRRSA-N 2 1 364.494 0.666 20 0 FCADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119318452 1221899136 /nfs/dbraw/zinc/89/91/36/1221899136.db2.gz YABCEUDVZYRLMI-IPQPSQTFSA-N 2 1 364.534 0.820 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001119410144 1221913662 /nfs/dbraw/zinc/91/36/62/1221913662.db2.gz UVYGVDWPMMXFHN-HZPDHXFCSA-N 2 1 366.506 0.109 20 0 FCADMP C[C@@H](O)C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783504 1226088128 /nfs/dbraw/zinc/08/81/28/1226088128.db2.gz LHIQLYHQSZBZCL-JFIYKMOQSA-N 2 1 364.490 0.490 20 0 FCADMP C[C@@H](O)C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783504 1226088133 /nfs/dbraw/zinc/08/81/33/1226088133.db2.gz LHIQLYHQSZBZCL-JFIYKMOQSA-N 2 1 364.490 0.490 20 0 FCADMP C[C@@H](O)C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783504 1226088139 /nfs/dbraw/zinc/08/81/39/1226088139.db2.gz LHIQLYHQSZBZCL-JFIYKMOQSA-N 2 1 364.490 0.490 20 0 FCADMP C[C@@H](O)C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Cc1cccnc1 ZINC001230783504 1226088144 /nfs/dbraw/zinc/08/81/44/1226088144.db2.gz LHIQLYHQSZBZCL-JFIYKMOQSA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4c3OCC4)C2)OCC1=O ZINC001277478085 1226094304 /nfs/dbraw/zinc/09/43/04/1226094304.db2.gz GLQDFBXYNGUTPV-FQEVSTJZSA-N 2 1 359.470 0.986 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001120548904 1222103288 /nfs/dbraw/zinc/10/32/88/1222103288.db2.gz HKXBSISZLABTFU-WCXIOVBPSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001120548904 1222103290 /nfs/dbraw/zinc/10/32/90/1222103290.db2.gz HKXBSISZLABTFU-WCXIOVBPSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC2CC2)C3)CC[N@H+]1C ZINC001121133874 1222150686 /nfs/dbraw/zinc/15/06/86/1222150686.db2.gz JIQSKZWECXVATF-NQTHDAFZSA-N 2 1 362.518 0.870 20 0 FCADMP CCCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289182 1222160222 /nfs/dbraw/zinc/16/02/22/1222160222.db2.gz ROFHNSANDRWVFF-ITFIPKOWSA-N 2 1 366.506 0.249 20 0 FCADMP CCCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289182 1222160228 /nfs/dbraw/zinc/16/02/28/1222160228.db2.gz ROFHNSANDRWVFF-ITFIPKOWSA-N 2 1 366.506 0.249 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121927901 1222224907 /nfs/dbraw/zinc/22/49/07/1222224907.db2.gz IVNQWXVXPJCQMR-UHFFFAOYSA-N 3 1 358.446 0.670 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001122049071 1222236893 /nfs/dbraw/zinc/23/68/93/1222236893.db2.gz FFQZJZQYRJABNP-FQEVSTJZSA-N 2 1 374.485 0.794 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069789 1222238686 /nfs/dbraw/zinc/23/86/86/1222238686.db2.gz GALDXTLWWGNOPR-GVDBMIGSSA-N 2 1 363.506 0.606 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)cc2)C[C@@H](C)O1 ZINC001122107748 1222241530 /nfs/dbraw/zinc/24/15/30/1222241530.db2.gz BMSJGLTWDRYDSE-SXGZJXTBSA-N 2 1 372.469 0.905 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)cc2)C[C@@H](C)O1 ZINC001122107745 1222241680 /nfs/dbraw/zinc/24/16/80/1222241680.db2.gz BMSJGLTWDRYDSE-STXHMFSFSA-N 2 1 372.469 0.905 20 0 FCADMP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001122358951 1222267231 /nfs/dbraw/zinc/26/72/31/1222267231.db2.gz YOHGOKNINHXRPB-MRXNPFEDSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001122358951 1222267238 /nfs/dbraw/zinc/26/72/38/1222267238.db2.gz YOHGOKNINHXRPB-MRXNPFEDSA-N 2 1 364.494 0.255 20 0 FCADMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001122586683 1222283170 /nfs/dbraw/zinc/28/31/70/1222283170.db2.gz CUGRERXIKINVQD-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513295 1222336017 /nfs/dbraw/zinc/33/60/17/1222336017.db2.gz WRABSNRJTUPXMN-LPHOPBHVSA-N 2 1 357.502 0.761 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cccnc3F)CC2)C1=O ZINC001138786278 1222524560 /nfs/dbraw/zinc/52/45/60/1222524560.db2.gz LKSHFQDCBODPOH-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cccnc3F)CC2)C1=O ZINC001138786278 1222524561 /nfs/dbraw/zinc/52/45/61/1222524561.db2.gz LKSHFQDCBODPOH-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccnc1F)CC2 ZINC001138786278 1222524567 /nfs/dbraw/zinc/52/45/67/1222524567.db2.gz LKSHFQDCBODPOH-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC000834529681 1222578193 /nfs/dbraw/zinc/57/81/93/1222578193.db2.gz UILGFHUSSKNPQP-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC000834529681 1222578195 /nfs/dbraw/zinc/57/81/95/1222578195.db2.gz UILGFHUSSKNPQP-IYBDPMFKSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598643 1222582167 /nfs/dbraw/zinc/58/21/67/1222582167.db2.gz FMJRLKNRKDWEBS-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598643 1222582170 /nfs/dbraw/zinc/58/21/70/1222582170.db2.gz FMJRLKNRKDWEBS-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598643 1222582176 /nfs/dbraw/zinc/58/21/76/1222582176.db2.gz FMJRLKNRKDWEBS-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000834598643 1222582179 /nfs/dbraw/zinc/58/21/79/1222582179.db2.gz FMJRLKNRKDWEBS-VVLHAWIVSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834635621 1222583284 /nfs/dbraw/zinc/58/32/84/1222583284.db2.gz JXYRECQFVBGOJN-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834635621 1222583289 /nfs/dbraw/zinc/58/32/89/1222583289.db2.gz JXYRECQFVBGOJN-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC001140680877 1222604930 /nfs/dbraw/zinc/60/49/30/1222604930.db2.gz AIWILGQEHYHBDM-UHFFFAOYSA-N 2 1 365.474 0.775 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC001140680877 1222604933 /nfs/dbraw/zinc/60/49/33/1222604933.db2.gz AIWILGQEHYHBDM-UHFFFAOYSA-N 2 1 365.474 0.775 20 0 FCADMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)nc3)C[C@@H]2C1 ZINC001232362819 1226148207 /nfs/dbraw/zinc/14/82/07/1226148207.db2.gz CAKZJRMEYLETNK-RBUKOAKNSA-N 2 1 359.518 0.986 20 0 FCADMP Cc1ncc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cn1 ZINC001203112650 1222740795 /nfs/dbraw/zinc/74/07/95/1222740795.db2.gz QAIMOOKUAJXVAP-UHFFFAOYSA-N 2 1 360.506 0.455 20 0 FCADMP CC(CC[NH+]1CCN2C(=O)OC[C@@H]2C1)CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000839507681 1222743172 /nfs/dbraw/zinc/74/31/72/1222743172.db2.gz KFTHFFWNCRCUFX-HOTGVXAUSA-N 2 1 366.462 0.676 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000839609511 1222750702 /nfs/dbraw/zinc/75/07/02/1222750702.db2.gz BZFVNXTZZWCQRU-HNNXBMFYSA-N 2 1 372.510 0.404 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000839609511 1222750704 /nfs/dbraw/zinc/75/07/04/1222750704.db2.gz BZFVNXTZZWCQRU-HNNXBMFYSA-N 2 1 372.510 0.404 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cn1 ZINC000842164133 1222838587 /nfs/dbraw/zinc/83/85/87/1222838587.db2.gz VEBUVBYHDLFJCM-CZUORRHYSA-N 2 1 370.457 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C[NH3+] ZINC000842478782 1222848097 /nfs/dbraw/zinc/84/80/97/1222848097.db2.gz PBXZVWMUUFHQSP-ZIAGYGMSSA-N 2 1 365.478 0.579 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4nccn4c3)CC[C@@H]2C1 ZINC001143021038 1222857518 /nfs/dbraw/zinc/85/75/18/1222857518.db2.gz LLBQTGOYXHVYHS-QZTJIDSGSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4nccn4c3)CC[C@@H]2C1 ZINC001143021038 1222857520 /nfs/dbraw/zinc/85/75/20/1222857520.db2.gz LLBQTGOYXHVYHS-QZTJIDSGSA-N 2 1 371.485 0.945 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4nccn4c3)CC[C@@H]2C1 ZINC001143021038 1222857522 /nfs/dbraw/zinc/85/75/22/1222857522.db2.gz LLBQTGOYXHVYHS-QZTJIDSGSA-N 2 1 371.485 0.945 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000843247973 1222863493 /nfs/dbraw/zinc/86/34/93/1222863493.db2.gz JROZULVRQPZFRG-NCOADZHNSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000843247973 1222863495 /nfs/dbraw/zinc/86/34/95/1222863495.db2.gz JROZULVRQPZFRG-NCOADZHNSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000843247973 1222863498 /nfs/dbraw/zinc/86/34/98/1222863498.db2.gz JROZULVRQPZFRG-NCOADZHNSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000843247973 1222863499 /nfs/dbraw/zinc/86/34/99/1222863499.db2.gz JROZULVRQPZFRG-NCOADZHNSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000843251575 1222864262 /nfs/dbraw/zinc/86/42/62/1222864262.db2.gz JLLWXXKBSQBTJT-IYBDPMFKSA-N 2 1 368.522 0.497 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000843251575 1222864267 /nfs/dbraw/zinc/86/42/67/1222864267.db2.gz JLLWXXKBSQBTJT-IYBDPMFKSA-N 2 1 368.522 0.497 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000843254521 1222865882 /nfs/dbraw/zinc/86/58/82/1222865882.db2.gz ODSBHAMLARRXCZ-JTDSTZFVSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H]1C ZINC000843254521 1222865883 /nfs/dbraw/zinc/86/58/83/1222865883.db2.gz ODSBHAMLARRXCZ-JTDSTZFVSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H]1C ZINC000843254521 1222865888 /nfs/dbraw/zinc/86/58/88/1222865888.db2.gz ODSBHAMLARRXCZ-JTDSTZFVSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H]1C ZINC000843254521 1222865892 /nfs/dbraw/zinc/86/58/92/1222865892.db2.gz ODSBHAMLARRXCZ-JTDSTZFVSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+](C)C[C@@]2(O)CCc3ccccc32)C1=O ZINC000843270676 1222868553 /nfs/dbraw/zinc/86/85/53/1222868553.db2.gz XRFTUHUYDNCKSJ-PXNSSMCTSA-N 2 1 359.470 0.831 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+](C)C[C@@]2(O)CCc3ccccc32)C1=O ZINC000843270676 1222868554 /nfs/dbraw/zinc/86/85/54/1222868554.db2.gz XRFTUHUYDNCKSJ-PXNSSMCTSA-N 2 1 359.470 0.831 20 0 FCADMP Cc1ccc(C[N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(N)n1 ZINC001143199499 1222869411 /nfs/dbraw/zinc/86/94/11/1222869411.db2.gz FIMUYMCCZOFFOC-UHFFFAOYSA-N 2 1 358.446 0.810 20 0 FCADMP Cc1ccc(C[N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(N)n1 ZINC001143199499 1222869413 /nfs/dbraw/zinc/86/94/13/1222869413.db2.gz FIMUYMCCZOFFOC-UHFFFAOYSA-N 2 1 358.446 0.810 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)OC)CC1 ZINC001151180266 1222918503 /nfs/dbraw/zinc/91/85/03/1222918503.db2.gz HPPIKAMFFFALJP-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@@H](C)OC)CC1 ZINC001151180266 1222918509 /nfs/dbraw/zinc/91/85/09/1222918509.db2.gz HPPIKAMFFFALJP-BRWVUGGUSA-N 2 1 371.522 0.728 20 0 FCADMP CCOCCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501601 1222977931 /nfs/dbraw/zinc/97/79/31/1222977931.db2.gz NZZYMPDJKHDSOM-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501601 1222977942 /nfs/dbraw/zinc/97/79/42/1222977942.db2.gz NZZYMPDJKHDSOM-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501601 1222977946 /nfs/dbraw/zinc/97/79/46/1222977946.db2.gz NZZYMPDJKHDSOM-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501601 1222977957 /nfs/dbraw/zinc/97/79/57/1222977957.db2.gz NZZYMPDJKHDSOM-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP C[NH+](C)C[C@H]1COCCN1c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001154983611 1223021663 /nfs/dbraw/zinc/02/16/63/1223021663.db2.gz DHSHXOHKENYCJD-HNNXBMFYSA-N 2 1 361.494 0.839 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3nc(N4CCOCC4)nc4c3CCN4)C2)C1 ZINC001155373274 1223033778 /nfs/dbraw/zinc/03/37/78/1223033778.db2.gz PPIOGWFXJYWUIW-OAHLLOKOSA-N 2 1 373.505 0.141 20 0 FCADMP COC(=O)c1cc2cnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)nc2n1C ZINC001155378381 1223033828 /nfs/dbraw/zinc/03/38/28/1223033828.db2.gz YGRMXXMJBIGFHG-CQSZACIVSA-N 2 1 358.446 0.614 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(N[C@H]3COCCC34C[NH2+]C4)n2)CC1 ZINC001155469719 1223035787 /nfs/dbraw/zinc/03/57/87/1223035787.db2.gz OYQSHOGBNUHYEX-AWEZNQCLSA-N 2 1 361.446 0.656 20 0 FCADMP C1[NH2+]CC12CCOC[C@@H]2Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001155472354 1223036115 /nfs/dbraw/zinc/03/61/15/1223036115.db2.gz RWRKIIMCNIEUGO-AWEZNQCLSA-N 2 1 359.478 0.284 20 0 FCADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721521 1223081281 /nfs/dbraw/zinc/08/12/81/1223081281.db2.gz ZAPJBVKYJWEFTI-QZTJIDSGSA-N 3 1 358.486 0.155 20 0 FCADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001157721521 1223081283 /nfs/dbraw/zinc/08/12/83/1223081283.db2.gz ZAPJBVKYJWEFTI-QZTJIDSGSA-N 3 1 358.486 0.155 20 0 FCADMP C[NH+]1CCC(CN2CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)CC1 ZINC001157842804 1223082881 /nfs/dbraw/zinc/08/28/81/1223082881.db2.gz YJLAWBQCVJCSSO-UHFFFAOYSA-N 2 1 373.549 0.868 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cn21 ZINC001158231958 1223091284 /nfs/dbraw/zinc/09/12/84/1223091284.db2.gz VLXOPXIMFSWAQO-ARFHVFGLSA-N 2 1 369.473 0.224 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cn21 ZINC001158231958 1223091285 /nfs/dbraw/zinc/09/12/85/1223091285.db2.gz VLXOPXIMFSWAQO-ARFHVFGLSA-N 2 1 369.473 0.224 20 0 FCADMP Cc1ccc(CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001158380691 1223096377 /nfs/dbraw/zinc/09/63/77/1223096377.db2.gz ULJJHIBBCZLFCF-NVXWUHKLSA-N 2 1 364.490 0.983 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnnn2Cc2ccccc2)CC[N@H+]1C ZINC001158380644 1223096468 /nfs/dbraw/zinc/09/64/68/1223096468.db2.gz SKMWPHPFWFVINZ-NVXWUHKLSA-N 2 1 371.489 0.658 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158411580 1223096595 /nfs/dbraw/zinc/09/65/95/1223096595.db2.gz HCCPBBMAPDVABV-IXDOHACOSA-N 2 1 370.538 0.744 20 0 FCADMP CC(C)N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759214 1223107367 /nfs/dbraw/zinc/10/73/67/1223107367.db2.gz LIPXMSPQEFOPDJ-KRWDZBQOSA-N 2 1 372.517 0.780 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc([C@H](N)C[NH3+])cc1)CC2 ZINC001158890921 1223112129 /nfs/dbraw/zinc/11/21/29/1223112129.db2.gz QJGSVWKHSUSJEO-QGZVFWFLSA-N 2 1 373.501 0.462 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([C@H]([NH3+])CN)cc1)CC2 ZINC001158890921 1223112132 /nfs/dbraw/zinc/11/21/32/1223112132.db2.gz QJGSVWKHSUSJEO-QGZVFWFLSA-N 2 1 373.501 0.462 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc([C@H]([NH3+])CN)cc1)CC2 ZINC001158890921 1223112134 /nfs/dbraw/zinc/11/21/34/1223112134.db2.gz QJGSVWKHSUSJEO-QGZVFWFLSA-N 2 1 373.501 0.462 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)C2)C1 ZINC001159124625 1223117769 /nfs/dbraw/zinc/11/77/69/1223117769.db2.gz OXLAKWPQEWEURA-FRQCXROJSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)C2)C1 ZINC001159124625 1223117772 /nfs/dbraw/zinc/11/77/72/1223117772.db2.gz OXLAKWPQEWEURA-FRQCXROJSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)C2)C1 ZINC001159123359 1223117835 /nfs/dbraw/zinc/11/78/35/1223117835.db2.gz IGWMVZMYSRZXCK-LPHOPBHVSA-N 2 1 368.522 0.308 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)C2)C1 ZINC001159123359 1223117838 /nfs/dbraw/zinc/11/78/38/1223117838.db2.gz IGWMVZMYSRZXCK-LPHOPBHVSA-N 2 1 368.522 0.308 20 0 FCADMP O=C(N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159136596 1223118726 /nfs/dbraw/zinc/11/87/26/1223118726.db2.gz ZMSKEABVORZQQX-AJYBTWMASA-N 3 1 355.486 0.456 20 0 FCADMP O=C(N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159136596 1223118729 /nfs/dbraw/zinc/11/87/29/1223118729.db2.gz ZMSKEABVORZQQX-AJYBTWMASA-N 2 1 355.486 0.456 20 0 FCADMP O=C(C1CC[NH2+]CC1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159157412 1223119102 /nfs/dbraw/zinc/11/91/02/1223119102.db2.gz GBJRLDIHVHNGNA-QYZOEREBSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@@]1(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC[NH2+]C1 ZINC001159167157 1223119742 /nfs/dbraw/zinc/11/97/42/1223119742.db2.gz VKZNUTDPZXFTQB-DOADOZAASA-N 2 1 372.517 0.979 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159191075 1223120218 /nfs/dbraw/zinc/12/02/18/1223120218.db2.gz AVKAFDAHDLXEGS-MRXNPFEDSA-N 2 1 361.490 0.610 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N(c1cccc(C)c1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001159339723 1223125075 /nfs/dbraw/zinc/12/50/75/1223125075.db2.gz QQQUOGHJWASMHI-JENIJYKNSA-N 2 1 361.442 0.739 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCCC[NH2+]1)CCC2 ZINC001159481749 1223127868 /nfs/dbraw/zinc/12/78/68/1223127868.db2.gz UXLXTTZPJGEMBT-INIZCTEOSA-N 2 1 361.490 0.958 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549566 1223129945 /nfs/dbraw/zinc/12/99/45/1223129945.db2.gz PFBUWPMMVNYGGX-AWEZNQCLSA-N 2 1 363.462 0.538 20 0 FCADMP O=C(N1CCCn2cnc(CNC3CCC3)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159550149 1223129967 /nfs/dbraw/zinc/12/99/67/1223129967.db2.gz WUKRRZLXDALCHC-FOIQADDNSA-N 2 1 372.517 0.457 20 0 FCADMP O=C([C@@H]1C[NH2+]Cc2ccnn21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549792 1223129989 /nfs/dbraw/zinc/12/99/89/1223129989.db2.gz QDVDJUKHJSLZLW-KRWDZBQOSA-N 2 1 369.473 0.799 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)[C@H]2C ZINC001159632816 1223131253 /nfs/dbraw/zinc/13/12/53/1223131253.db2.gz AIRXYZKAGDLINJ-NXNVCVFFSA-N 2 1 360.506 0.576 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665245 1223133083 /nfs/dbraw/zinc/13/30/83/1223133083.db2.gz IGWYPTFIZJUDFS-KURKYZTESA-N 3 1 361.490 0.340 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CCC[C@H]4[NH3+])C3)O2)CC1 ZINC001159757224 1223135519 /nfs/dbraw/zinc/13/55/19/1223135519.db2.gz HUULWSYWYOQNQN-SOAMZJECSA-N 2 1 364.534 0.901 20 0 FCADMP O=C(N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159854530 1223137922 /nfs/dbraw/zinc/13/79/22/1223137922.db2.gz FDZHZVIUZNIWCT-QSFMABPGSA-N 2 1 374.460 0.441 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856314 1223138287 /nfs/dbraw/zinc/13/82/87/1223138287.db2.gz SWJRGHKOAJHQEU-JQHSSLGASA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856314 1223138289 /nfs/dbraw/zinc/13/82/89/1223138289.db2.gz SWJRGHKOAJHQEU-JQHSSLGASA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856314 1223138291 /nfs/dbraw/zinc/13/82/91/1223138291.db2.gz SWJRGHKOAJHQEU-JQHSSLGASA-N 2 1 373.432 0.783 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159898488 1223139494 /nfs/dbraw/zinc/13/94/94/1223139494.db2.gz MSCBUWWJXGYWDI-VQIMIIECSA-N 2 1 370.453 0.914 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159898488 1223139497 /nfs/dbraw/zinc/13/94/97/1223139497.db2.gz MSCBUWWJXGYWDI-VQIMIIECSA-N 2 1 370.453 0.914 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001160036202 1223142810 /nfs/dbraw/zinc/14/28/10/1223142810.db2.gz PURBNMCUXZZWDB-QZTJIDSGSA-N 2 1 367.453 0.714 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423161 1223158960 /nfs/dbraw/zinc/15/89/60/1223158960.db2.gz KQLQSLNTENZJER-NXWXRZEISA-N 2 1 357.502 0.702 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423155 1223159248 /nfs/dbraw/zinc/15/92/48/1223159248.db2.gz KQLQSLNTENZJER-DSLXNQLJSA-N 2 1 357.502 0.702 20 0 FCADMP C[C@@H]1C(=O)NCCN1C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160450314 1223160573 /nfs/dbraw/zinc/16/05/73/1223160573.db2.gz CZXJWTUTVLYAGS-HGHGUNKESA-N 2 1 370.497 0.835 20 0 FCADMP CC1(C)NC(=O)N(Cc2ccc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)nc2)C1=O ZINC001160520610 1223163603 /nfs/dbraw/zinc/16/36/03/1223163603.db2.gz RZRVNYKHQAKBJI-LJQANCHMSA-N 2 1 372.473 0.747 20 0 FCADMP CC(C)(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160577658 1223165339 /nfs/dbraw/zinc/16/53/39/1223165339.db2.gz PICWVQMLYDOHKO-HOTGVXAUSA-N 2 1 367.538 0.376 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001160705177 1223169187 /nfs/dbraw/zinc/16/91/87/1223169187.db2.gz UFBYYGUEPFOZGC-FZKCQIBNSA-N 2 1 366.506 0.140 20 0 FCADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160710516 1223169203 /nfs/dbraw/zinc/16/92/03/1223169203.db2.gz OJHJNPQAUYHFKP-LJQANCHMSA-N 3 1 354.498 0.845 20 0 FCADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160742983 1223170726 /nfs/dbraw/zinc/17/07/26/1223170726.db2.gz KYCYXJTUCLVCAG-NEPJUHHUSA-N 2 1 372.395 0.869 20 0 FCADMP CCOC(=O)[C@]12CN(C(=O)c3ccc([C@@H]([NH3+])CN)cc3)C[C@H]1C[NH2+]CC2 ZINC001160819538 1223175818 /nfs/dbraw/zinc/17/58/18/1223175818.db2.gz RNXHNJMLONFDHV-JTDSTZFVSA-N 2 1 360.458 0.260 20 0 FCADMP CC[C@H]1CCCCN1C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857586 1223177865 /nfs/dbraw/zinc/17/78/65/1223177865.db2.gz LXNZBWAELAEVIA-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@H]1CCCCN1C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857586 1223177867 /nfs/dbraw/zinc/17/78/67/1223177867.db2.gz LXNZBWAELAEVIA-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CNC(=O)c1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001160861926 1223178254 /nfs/dbraw/zinc/17/82/54/1223178254.db2.gz BAUGUKRPACNNRX-RHSMWYFYSA-N 2 1 362.474 0.361 20 0 FCADMP CNC(=O)c1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001160861926 1223178258 /nfs/dbraw/zinc/17/82/58/1223178258.db2.gz BAUGUKRPACNNRX-RHSMWYFYSA-N 2 1 362.474 0.361 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001160862286 1223178814 /nfs/dbraw/zinc/17/88/14/1223178814.db2.gz LHKGVLHRNBFJPX-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001160862286 1223178819 /nfs/dbraw/zinc/17/88/19/1223178819.db2.gz LHKGVLHRNBFJPX-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1c1ccc(F)cc1 ZINC001161083718 1223185233 /nfs/dbraw/zinc/18/52/33/1223185233.db2.gz BFRNRWWQLGCJQE-SJORKVTESA-N 2 1 363.433 0.882 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090963 1223185916 /nfs/dbraw/zinc/18/59/16/1223185916.db2.gz QFYVRNDPNNCZTJ-HNNXBMFYSA-N 2 1 371.441 0.995 20 0 FCADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196411 1223188332 /nfs/dbraw/zinc/18/83/32/1223188332.db2.gz GONVTONSEJKIMV-ICSRJNTNSA-N 3 1 364.534 0.537 20 0 FCADMP O=C([C@H]1C[C@@]12CC[NH2+]C2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196413 1223188788 /nfs/dbraw/zinc/18/87/88/1223188788.db2.gz GONVTONSEJKIMV-UYAOXDASSA-N 3 1 364.534 0.537 20 0 FCADMP O=C([C@@H]1CC2(CC2)C[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198348 1223189341 /nfs/dbraw/zinc/18/93/41/1223189341.db2.gz PZJFPAFSZKAZSP-SFHVURJKSA-N 3 1 364.534 0.679 20 0 FCADMP O=C(C=C1CC[NH2+]CC1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198512 1223189397 /nfs/dbraw/zinc/18/93/97/1223189397.db2.gz SSYFXKZKJBSROT-UHFFFAOYSA-N 3 1 364.534 0.847 20 0 FCADMP C[C@H](O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001162841587 1223220676 /nfs/dbraw/zinc/22/06/76/1223220676.db2.gz ZTGUZOOMRBKBKI-YQVWRLOYSA-N 2 1 363.502 0.747 20 0 FCADMP C[C@H](O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001162841587 1223220680 /nfs/dbraw/zinc/22/06/80/1223220680.db2.gz ZTGUZOOMRBKBKI-YQVWRLOYSA-N 2 1 363.502 0.747 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917434 1223221684 /nfs/dbraw/zinc/22/16/84/1223221684.db2.gz OUWYUGFISGDUBA-AEGPPILISA-N 2 1 366.462 0.325 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(NCC[C@@H]3CCOC34C[NH2+]C4)c2)CC1 ZINC001163081686 1223225486 /nfs/dbraw/zinc/22/54/86/1223225486.db2.gz NFRNTVUKCKDEGP-MRXNPFEDSA-N 2 1 359.474 0.650 20 0 FCADMP O=c1cc(CNc2ccc(O[C@H]3CCC[NH2+]C3)nn2)nc2n1CCC[NH2+]C2 ZINC001163116335 1223226232 /nfs/dbraw/zinc/22/62/32/1223226232.db2.gz RXHAIJYAFXOARL-AWEZNQCLSA-N 2 1 371.445 0.270 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2NC[C@@]23C[NH2+][C@@H](CO2)C3)CC1 ZINC001163192033 1223227652 /nfs/dbraw/zinc/22/76/52/1223227652.db2.gz YTABRBMXTFPAAW-AUUYWEPGSA-N 2 1 354.458 0.924 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N[C@]23CC[NH2+][C@@H]2CC(=O)N3)CC1 ZINC001163240219 1223228113 /nfs/dbraw/zinc/22/81/13/1223228113.db2.gz UKXIAUUWEMTERR-DNVCBOLYSA-N 2 1 367.457 0.372 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)CC1 ZINC001163652945 1223233454 /nfs/dbraw/zinc/23/34/54/1223233454.db2.gz BDUSKCDIJPNRCS-OAHLLOKOSA-N 2 1 360.462 0.232 20 0 FCADMP COCc1noc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001164578877 1223240379 /nfs/dbraw/zinc/24/03/79/1223240379.db2.gz XANJVYXBYCQCKN-ZIAGYGMSSA-N 2 1 365.478 0.932 20 0 FCADMP COCc1noc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001164578877 1223240381 /nfs/dbraw/zinc/24/03/81/1223240381.db2.gz XANJVYXBYCQCKN-ZIAGYGMSSA-N 2 1 365.478 0.932 20 0 FCADMP CC(C)[C@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001205188553 1223315600 /nfs/dbraw/zinc/31/56/00/1223315600.db2.gz KQIWJKVIIRZUKW-GUDVDZBRSA-N 2 1 363.502 0.639 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334175 1223320054 /nfs/dbraw/zinc/32/00/54/1223320054.db2.gz FIRBARNCBYEESP-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205685647 1223334993 /nfs/dbraw/zinc/33/49/93/1223334993.db2.gz BIAFNIOYLXSXKJ-UKPHBRMFSA-N 2 1 364.465 0.924 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205685646 1223335274 /nfs/dbraw/zinc/33/52/74/1223335274.db2.gz BIAFNIOYLXSXKJ-JLJPHGGASA-N 2 1 364.465 0.924 20 0 FCADMP Cc1cc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n(C)n1 ZINC001205897424 1223341470 /nfs/dbraw/zinc/34/14/70/1223341470.db2.gz RHFHWYQCEMXKMJ-UHFFFAOYSA-N 2 1 362.522 0.399 20 0 FCADMP COc1ncc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cn1 ZINC001206400277 1223357587 /nfs/dbraw/zinc/35/75/87/1223357587.db2.gz IRJSOTXPMJLMEN-UHFFFAOYSA-N 2 1 369.473 0.628 20 0 FCADMP COc1ncc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cn1 ZINC001206400277 1223357590 /nfs/dbraw/zinc/35/75/90/1223357590.db2.gz IRJSOTXPMJLMEN-UHFFFAOYSA-N 2 1 369.473 0.628 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC1 ZINC001207397134 1223443454 /nfs/dbraw/zinc/44/34/54/1223443454.db2.gz DFZOAMPDIXJZIJ-QRVBRYPASA-N 2 1 365.518 0.914 20 0 FCADMP CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207396029 1223443610 /nfs/dbraw/zinc/44/36/10/1223443610.db2.gz ARBRKMFKTDRWFE-KRWDZBQOSA-N 2 1 363.506 0.762 20 0 FCADMP CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207435420 1223446748 /nfs/dbraw/zinc/44/67/48/1223446748.db2.gz OGBFQRZCYRWVJA-UHFFFAOYSA-N 2 1 362.478 0.220 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207482577 1223449177 /nfs/dbraw/zinc/44/91/77/1223449177.db2.gz ONJGCJDEUZTVDY-HXUWFJFHSA-N 2 1 366.550 0.879 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563036 1223457213 /nfs/dbraw/zinc/45/72/13/1223457213.db2.gz BFSOMTZKIUUWTG-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563036 1223457215 /nfs/dbraw/zinc/45/72/15/1223457215.db2.gz BFSOMTZKIUUWTG-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563036 1223457217 /nfs/dbraw/zinc/45/72/17/1223457217.db2.gz BFSOMTZKIUUWTG-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563036 1223457220 /nfs/dbraw/zinc/45/72/20/1223457220.db2.gz BFSOMTZKIUUWTG-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070590 1223513305 /nfs/dbraw/zinc/51/33/05/1223513305.db2.gz NOYNMIMTVATUHD-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412863 1223542618 /nfs/dbraw/zinc/54/26/18/1223542618.db2.gz QBMNKENVGAIFNH-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412863 1223542626 /nfs/dbraw/zinc/54/26/26/1223542626.db2.gz QBMNKENVGAIFNH-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412863 1223542630 /nfs/dbraw/zinc/54/26/30/1223542630.db2.gz QBMNKENVGAIFNH-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412863 1223542636 /nfs/dbraw/zinc/54/26/36/1223542636.db2.gz QBMNKENVGAIFNH-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952872 1223587061 /nfs/dbraw/zinc/58/70/61/1223587061.db2.gz WCCWCVAAZUNYKJ-PZJWPPBQSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952872 1223587066 /nfs/dbraw/zinc/58/70/66/1223587066.db2.gz WCCWCVAAZUNYKJ-PZJWPPBQSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208952872 1223587070 /nfs/dbraw/zinc/58/70/70/1223587070.db2.gz WCCWCVAAZUNYKJ-PZJWPPBQSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208952872 1223587075 /nfs/dbraw/zinc/58/70/75/1223587075.db2.gz WCCWCVAAZUNYKJ-PZJWPPBQSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCC[C@]2(CCN(CCN3CCOCC3)C2=O)CC1 ZINC001276608366 1223592140 /nfs/dbraw/zinc/59/21/40/1223592140.db2.gz CVNQTIIQAAZBLX-HXUWFJFHSA-N 2 1 366.550 0.975 20 0 FCADMP CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142916 1223601042 /nfs/dbraw/zinc/60/10/42/1223601042.db2.gz YDEIWZKBYFBITI-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150910 1223601614 /nfs/dbraw/zinc/60/16/14/1223601614.db2.gz WCEKDLYCQXRSOG-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150910 1223601616 /nfs/dbraw/zinc/60/16/16/1223601616.db2.gz WCEKDLYCQXRSOG-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP COCCCC[N@@H+]1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001209216963 1223602994 /nfs/dbraw/zinc/60/29/94/1223602994.db2.gz VYJQEMOEZAENNU-UHFFFAOYSA-N 2 1 360.462 0.831 20 0 FCADMP C[C@@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001209342066 1223612482 /nfs/dbraw/zinc/61/24/82/1223612482.db2.gz RIIRGDMPKBGBIB-INIZCTEOSA-N 2 1 360.502 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478556 1223623394 /nfs/dbraw/zinc/62/33/94/1223623394.db2.gz WAFKBTDLVZPDNE-QZTJIDSGSA-N 2 1 363.506 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478556 1223623398 /nfs/dbraw/zinc/62/33/98/1223623398.db2.gz WAFKBTDLVZPDNE-QZTJIDSGSA-N 2 1 363.506 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514042 1223626262 /nfs/dbraw/zinc/62/62/62/1223626262.db2.gz FWJJLUYBRXHSGY-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514042 1223626267 /nfs/dbraw/zinc/62/62/67/1223626267.db2.gz FWJJLUYBRXHSGY-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566106 1223632091 /nfs/dbraw/zinc/63/20/91/1223632091.db2.gz OADPRAKXGZVFJG-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566106 1223632093 /nfs/dbraw/zinc/63/20/93/1223632093.db2.gz OADPRAKXGZVFJG-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566106 1223632096 /nfs/dbraw/zinc/63/20/96/1223632096.db2.gz OADPRAKXGZVFJG-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001209566106 1223632098 /nfs/dbraw/zinc/63/20/98/1223632098.db2.gz OADPRAKXGZVFJG-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829318 1223652135 /nfs/dbraw/zinc/65/21/35/1223652135.db2.gz CGQZPLNBLNKNDX-DJIMGWMZSA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040398 1223663688 /nfs/dbraw/zinc/66/36/88/1223663688.db2.gz GKRGAWMXEUJOIZ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040398 1223663694 /nfs/dbraw/zinc/66/36/94/1223663694.db2.gz GKRGAWMXEUJOIZ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040398 1223663702 /nfs/dbraw/zinc/66/37/02/1223663702.db2.gz GKRGAWMXEUJOIZ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040398 1223663708 /nfs/dbraw/zinc/66/37/08/1223663708.db2.gz GKRGAWMXEUJOIZ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433774 1223691321 /nfs/dbraw/zinc/69/13/21/1223691321.db2.gz WRNPJMYQIQJHRV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433774 1223691323 /nfs/dbraw/zinc/69/13/23/1223691323.db2.gz WRNPJMYQIQJHRV-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476516 1223693575 /nfs/dbraw/zinc/69/35/75/1223693575.db2.gz DCWGHGXKMBIQOD-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476516 1223693579 /nfs/dbraw/zinc/69/35/79/1223693579.db2.gz DCWGHGXKMBIQOD-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476516 1223693582 /nfs/dbraw/zinc/69/35/82/1223693582.db2.gz DCWGHGXKMBIQOD-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476516 1223693589 /nfs/dbraw/zinc/69/35/89/1223693589.db2.gz DCWGHGXKMBIQOD-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497652 1223694415 /nfs/dbraw/zinc/69/44/15/1223694415.db2.gz GOINKAPJKPINMT-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497652 1223694419 /nfs/dbraw/zinc/69/44/19/1223694419.db2.gz GOINKAPJKPINMT-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497652 1223694422 /nfs/dbraw/zinc/69/44/22/1223694422.db2.gz GOINKAPJKPINMT-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210497652 1223694425 /nfs/dbraw/zinc/69/44/25/1223694425.db2.gz GOINKAPJKPINMT-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211024960 1223719175 /nfs/dbraw/zinc/71/91/75/1223719175.db2.gz DAJVOWSOHGOKOF-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211024960 1223719179 /nfs/dbraw/zinc/71/91/79/1223719179.db2.gz DAJVOWSOHGOKOF-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211024960 1223719180 /nfs/dbraw/zinc/71/91/80/1223719180.db2.gz DAJVOWSOHGOKOF-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211024960 1223719183 /nfs/dbraw/zinc/71/91/83/1223719183.db2.gz DAJVOWSOHGOKOF-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211038043 1223721039 /nfs/dbraw/zinc/72/10/39/1223721039.db2.gz BMJCDAKODCUEKH-JFIYKMOQSA-N 2 1 365.474 0.689 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211038043 1223721041 /nfs/dbraw/zinc/72/10/41/1223721041.db2.gz BMJCDAKODCUEKH-JFIYKMOQSA-N 2 1 365.474 0.689 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054166 1223722997 /nfs/dbraw/zinc/72/29/97/1223722997.db2.gz IPYYYQFDHTUSBX-IIDMSEBBSA-N 2 1 363.506 0.633 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336293 1223787038 /nfs/dbraw/zinc/78/70/38/1223787038.db2.gz VMNBBHDAEATHPL-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336293 1223787042 /nfs/dbraw/zinc/78/70/42/1223787042.db2.gz VMNBBHDAEATHPL-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730194 1223839948 /nfs/dbraw/zinc/83/99/48/1223839948.db2.gz HZWJBIZCZCMDGW-QZTJIDSGSA-N 2 1 365.474 0.459 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747482 1223843113 /nfs/dbraw/zinc/84/31/13/1223843113.db2.gz JTNDNUDXVBURDF-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747482 1223843114 /nfs/dbraw/zinc/84/31/14/1223843114.db2.gz JTNDNUDXVBURDF-BRWVUGGUSA-N 2 1 370.538 0.791 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754118 1223844094 /nfs/dbraw/zinc/84/40/94/1223844094.db2.gz UJRWBFIDUOCJFH-BZUAXINKSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213763549 1223845934 /nfs/dbraw/zinc/84/59/34/1223845934.db2.gz YFWBOIRODKZMFU-IAGOWNOFSA-N 2 1 366.510 0.442 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213763549 1223845935 /nfs/dbraw/zinc/84/59/35/1223845935.db2.gz YFWBOIRODKZMFU-IAGOWNOFSA-N 2 1 366.510 0.442 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213763549 1223845938 /nfs/dbraw/zinc/84/59/38/1223845938.db2.gz YFWBOIRODKZMFU-IAGOWNOFSA-N 2 1 366.510 0.442 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213763549 1223845939 /nfs/dbraw/zinc/84/59/39/1223845939.db2.gz YFWBOIRODKZMFU-IAGOWNOFSA-N 2 1 366.510 0.442 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764899 1223846024 /nfs/dbraw/zinc/84/60/24/1223846024.db2.gz KCPDJUFGMJKGQX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764899 1223846026 /nfs/dbraw/zinc/84/60/26/1223846026.db2.gz KCPDJUFGMJKGQX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764899 1223846027 /nfs/dbraw/zinc/84/60/27/1223846027.db2.gz KCPDJUFGMJKGQX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213764899 1223846028 /nfs/dbraw/zinc/84/60/28/1223846028.db2.gz KCPDJUFGMJKGQX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213857602 1223862330 /nfs/dbraw/zinc/86/23/30/1223862330.db2.gz QJQXVRMJCCABPM-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213857602 1223862333 /nfs/dbraw/zinc/86/23/33/1223862333.db2.gz QJQXVRMJCCABPM-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213857602 1223862334 /nfs/dbraw/zinc/86/23/34/1223862334.db2.gz QJQXVRMJCCABPM-GUDVDZBRSA-N 2 1 361.486 0.970 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916646 1223871058 /nfs/dbraw/zinc/87/10/58/1223871058.db2.gz BQERWJHWFMHFIS-BRWVUGGUSA-N 2 1 368.522 0.722 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916646 1223871061 /nfs/dbraw/zinc/87/10/61/1223871061.db2.gz BQERWJHWFMHFIS-BRWVUGGUSA-N 2 1 368.522 0.722 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001214338553 1223902233 /nfs/dbraw/zinc/90/22/33/1223902233.db2.gz SPKYFOXVXISGBK-XYPHTWIQSA-N 2 1 360.458 0.861 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388961 1223906765 /nfs/dbraw/zinc/90/67/65/1223906765.db2.gz NFVKAKPYTOGTTN-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388961 1223906768 /nfs/dbraw/zinc/90/67/68/1223906768.db2.gz NFVKAKPYTOGTTN-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001214863439 1223949233 /nfs/dbraw/zinc/94/92/33/1223949233.db2.gz NRYIHCGUDVKIKO-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)C1 ZINC001215544528 1224005582 /nfs/dbraw/zinc/00/55/82/1224005582.db2.gz ZBKIBBFUAKQFKI-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001215567998 1224006659 /nfs/dbraw/zinc/00/66/59/1224006659.db2.gz JTYOPSCDLMNDEV-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001215934284 1224025369 /nfs/dbraw/zinc/02/53/69/1224025369.db2.gz LZZTUDWHBNOXNN-RHSMWYFYSA-N 2 1 361.490 0.934 20 0 FCADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938803 1224025751 /nfs/dbraw/zinc/02/57/51/1224025751.db2.gz NKJIPQHFFBNRSW-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081722 1224033629 /nfs/dbraw/zinc/03/36/29/1224033629.db2.gz OBAFDGUBYQINJO-XOKHGSTOSA-N 2 1 359.430 0.325 20 0 FCADMP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1C ZINC001216401092 1224048662 /nfs/dbraw/zinc/04/86/62/1224048662.db2.gz GMYHWAVJUJXWPQ-HUUCEWRRSA-N 2 1 366.510 0.453 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216511170 1224053382 /nfs/dbraw/zinc/05/33/82/1224053382.db2.gz KXMPNCRGBKMETF-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216511213 1224053642 /nfs/dbraw/zinc/05/36/42/1224053642.db2.gz NDHKDZNUQIZEKN-NVXWUHKLSA-N 2 1 371.489 0.941 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216511213 1224053646 /nfs/dbraw/zinc/05/36/46/1224053646.db2.gz NDHKDZNUQIZEKN-NVXWUHKLSA-N 2 1 371.489 0.941 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216754536 1224069046 /nfs/dbraw/zinc/06/90/46/1224069046.db2.gz ZTZKXIRQFBDSIF-DJIMGWMZSA-N 2 1 359.474 0.086 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216844823 1224078453 /nfs/dbraw/zinc/07/84/53/1224078453.db2.gz KPENJXMXOVHJEK-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216854077 1224078912 /nfs/dbraw/zinc/07/89/12/1224078912.db2.gz SEKOKVAZIAVJMJ-QLFBSQMISA-N 2 1 369.510 0.386 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853400 1224079129 /nfs/dbraw/zinc/07/91/29/1224079129.db2.gz ABLKGXNRAFQMKQ-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001216986885 1224083153 /nfs/dbraw/zinc/08/31/53/1224083153.db2.gz CWZNBNUTAQHDKB-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001216986885 1224083154 /nfs/dbraw/zinc/08/31/54/1224083154.db2.gz CWZNBNUTAQHDKB-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC000985496859 1248947668 /nfs/dbraw/zinc/94/76/68/1248947668.db2.gz RDROVFREXOEYMJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC000985496859 1248947670 /nfs/dbraw/zinc/94/76/70/1248947670.db2.gz RDROVFREXOEYMJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC000985496859 1248947680 /nfs/dbraw/zinc/94/76/80/1248947680.db2.gz RDROVFREXOEYMJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC000985496859 1248947689 /nfs/dbraw/zinc/94/76/89/1248947689.db2.gz RDROVFREXOEYMJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)CC[N@@H+]1C ZINC000988077530 1249326580 /nfs/dbraw/zinc/32/65/80/1249326580.db2.gz UGDFMKYIYJLODQ-HLLBOEOZSA-N 2 1 361.490 0.989 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)CC[N@H+]1C ZINC000988077530 1249326586 /nfs/dbraw/zinc/32/65/86/1249326586.db2.gz UGDFMKYIYJLODQ-HLLBOEOZSA-N 2 1 361.490 0.989 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988098053 1249342842 /nfs/dbraw/zinc/34/28/42/1249342842.db2.gz PTELGLXFUOLCBC-IPYPFGDCSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988098053 1249342855 /nfs/dbraw/zinc/34/28/55/1249342855.db2.gz PTELGLXFUOLCBC-IPYPFGDCSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC000823783884 1245320962 /nfs/dbraw/zinc/32/09/62/1245320962.db2.gz DBAGCVWDTGBOGG-ILZDJORESA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC000823783884 1245320965 /nfs/dbraw/zinc/32/09/65/1245320965.db2.gz DBAGCVWDTGBOGG-ILZDJORESA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000823783884 1245320968 /nfs/dbraw/zinc/32/09/68/1245320968.db2.gz DBAGCVWDTGBOGG-ILZDJORESA-N 2 1 360.502 0.374 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000823788700 1245321746 /nfs/dbraw/zinc/32/17/46/1245321746.db2.gz SQLBCCQTDUMLKP-SJORKVTESA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000823788700 1245321750 /nfs/dbraw/zinc/32/17/50/1245321750.db2.gz SQLBCCQTDUMLKP-SJORKVTESA-N 2 1 363.506 0.515 20 0 FCADMP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000824131762 1245322243 /nfs/dbraw/zinc/32/22/43/1245322243.db2.gz XXMWBBAEDUVFMI-OTWHNJEPSA-N 2 1 371.481 0.996 20 0 FCADMP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000824131762 1245322245 /nfs/dbraw/zinc/32/22/45/1245322245.db2.gz XXMWBBAEDUVFMI-OTWHNJEPSA-N 2 1 371.481 0.996 20 0 FCADMP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000824131762 1245322248 /nfs/dbraw/zinc/32/22/48/1245322248.db2.gz XXMWBBAEDUVFMI-OTWHNJEPSA-N 2 1 371.481 0.996 20 0 FCADMP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000824131762 1245322250 /nfs/dbraw/zinc/32/22/50/1245322250.db2.gz XXMWBBAEDUVFMI-OTWHNJEPSA-N 2 1 371.481 0.996 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C2=O ZINC000843378142 1245328003 /nfs/dbraw/zinc/32/80/03/1245328003.db2.gz UGTIPJUKYGKVCA-FVRSWCFKSA-N 2 1 365.478 0.579 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C2=O ZINC000843378142 1245328005 /nfs/dbraw/zinc/32/80/05/1245328005.db2.gz UGTIPJUKYGKVCA-FVRSWCFKSA-N 2 1 365.478 0.579 20 0 FCADMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc(N2CCCC2)n1 ZINC000849103623 1245392605 /nfs/dbraw/zinc/39/26/05/1245392605.db2.gz ULBLLMBVQUJXIU-UHFFFAOYSA-N 2 1 361.494 0.721 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH2+]CCC12CCC2 ZINC000891567136 1245455230 /nfs/dbraw/zinc/45/52/30/1245455230.db2.gz VWDHZNKGCMKZPQ-KRWDZBQOSA-N 2 1 365.522 0.321 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575908 1245455436 /nfs/dbraw/zinc/45/54/36/1245455436.db2.gz IUOUNTOQUDHOJT-JONQDZQNSA-N 2 1 363.462 0.047 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000897419896 1245472029 /nfs/dbraw/zinc/47/20/29/1245472029.db2.gz HVOUSRAPOKWJFY-INIZCTEOSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000897419896 1245472033 /nfs/dbraw/zinc/47/20/33/1245472033.db2.gz HVOUSRAPOKWJFY-INIZCTEOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504231 1245501553 /nfs/dbraw/zinc/50/15/53/1245501553.db2.gz VPALWRPWDFEODL-MRXNPFEDSA-N 2 1 359.474 0.502 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564045 1245514669 /nfs/dbraw/zinc/51/46/69/1245514669.db2.gz RKMKTDGMTYQUDR-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)Nc1ccc(F)cc1 ZINC000923318396 1245706699 /nfs/dbraw/zinc/70/66/99/1245706699.db2.gz IZJYJEYBVFFJIE-KRWDZBQOSA-N 2 1 362.449 0.760 20 0 FCADMP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923323561 1245708581 /nfs/dbraw/zinc/70/85/81/1245708581.db2.gz JDMGOIBKOFRTOG-SQNIBIBYSA-N 2 1 364.534 0.677 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923324674 1245708857 /nfs/dbraw/zinc/70/88/57/1245708857.db2.gz YTCVJWUJUQELTO-GOSISDBHSA-N 3 1 364.534 0.631 20 0 FCADMP CC1CCC(NC(=O)CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923322888 1245709593 /nfs/dbraw/zinc/70/95/93/1245709593.db2.gz BMOPNSZOAJURSM-ABHNRTSZSA-N 2 1 364.534 0.677 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521870 1245726889 /nfs/dbraw/zinc/72/68/89/1245726889.db2.gz XPAINZFPCKXEAD-HRCADAONSA-N 2 1 360.458 0.494 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521870 1245726895 /nfs/dbraw/zinc/72/68/95/1245726895.db2.gz XPAINZFPCKXEAD-HRCADAONSA-N 2 1 360.458 0.494 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000937411646 1245783113 /nfs/dbraw/zinc/78/31/13/1245783113.db2.gz PUZLMZHWFCCKNF-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000937411646 1245783123 /nfs/dbraw/zinc/78/31/23/1245783123.db2.gz PUZLMZHWFCCKNF-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000938547196 1245873932 /nfs/dbraw/zinc/87/39/32/1245873932.db2.gz FMQWJOQJSJUYQK-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000938547196 1245873940 /nfs/dbraw/zinc/87/39/40/1245873940.db2.gz FMQWJOQJSJUYQK-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000938608894 1245888106 /nfs/dbraw/zinc/88/81/06/1245888106.db2.gz DZRCQIOQIZAODJ-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000938608894 1245888115 /nfs/dbraw/zinc/88/81/15/1245888115.db2.gz DZRCQIOQIZAODJ-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000939304921 1246031454 /nfs/dbraw/zinc/03/14/54/1246031454.db2.gz XGWAIEFNHYSFLG-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000939304921 1246031458 /nfs/dbraw/zinc/03/14/58/1246031458.db2.gz XGWAIEFNHYSFLG-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000943385400 1247315765 /nfs/dbraw/zinc/31/57/65/1247315765.db2.gz SVCDNEFCEJUHBA-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396020 1247548150 /nfs/dbraw/zinc/54/81/50/1247548150.db2.gz DZYJPZGQEFAMPJ-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001327810087 1265431747 /nfs/dbraw/zinc/43/17/47/1265431747.db2.gz AXRUIQLEKYWHJI-SFHVURJKSA-N 2 1 356.470 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946595038 1247907402 /nfs/dbraw/zinc/90/74/02/1247907402.db2.gz GFFIYMJZWZJNAJ-UYTYNIKBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595038 1247907406 /nfs/dbraw/zinc/90/74/06/1247907406.db2.gz GFFIYMJZWZJNAJ-UYTYNIKBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595038 1247907409 /nfs/dbraw/zinc/90/74/09/1247907409.db2.gz GFFIYMJZWZJNAJ-UYTYNIKBSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642360 1247932339 /nfs/dbraw/zinc/93/23/39/1247932339.db2.gz GFVUSTIRADFZEX-OVYGPGRDSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642360 1247932349 /nfs/dbraw/zinc/93/23/49/1247932349.db2.gz GFVUSTIRADFZEX-OVYGPGRDSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642360 1247932359 /nfs/dbraw/zinc/93/23/59/1247932359.db2.gz GFVUSTIRADFZEX-OVYGPGRDSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642360 1247932370 /nfs/dbraw/zinc/93/23/70/1247932370.db2.gz GFVUSTIRADFZEX-OVYGPGRDSA-N 2 1 366.506 0.010 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946770330 1248003176 /nfs/dbraw/zinc/00/31/76/1248003176.db2.gz LOWQDRVDWVQQLU-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC000946770330 1248003191 /nfs/dbraw/zinc/00/31/91/1248003191.db2.gz LOWQDRVDWVQQLU-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC000946770330 1248003200 /nfs/dbraw/zinc/00/32/00/1248003200.db2.gz LOWQDRVDWVQQLU-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946778117 1248011706 /nfs/dbraw/zinc/01/17/06/1248011706.db2.gz JKFQELIWEFRDLL-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946778913 1248016047 /nfs/dbraw/zinc/01/60/47/1248016047.db2.gz YRUDTGQBMLBDBJ-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946778913 1248016055 /nfs/dbraw/zinc/01/60/55/1248016055.db2.gz YRUDTGQBMLBDBJ-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946778913 1248016061 /nfs/dbraw/zinc/01/60/61/1248016061.db2.gz YRUDTGQBMLBDBJ-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946778912 1248016114 /nfs/dbraw/zinc/01/61/14/1248016114.db2.gz YRUDTGQBMLBDBJ-ARFHVFGLSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946778912 1248016119 /nfs/dbraw/zinc/01/61/19/1248016119.db2.gz YRUDTGQBMLBDBJ-ARFHVFGLSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946778912 1248016124 /nfs/dbraw/zinc/01/61/24/1248016124.db2.gz YRUDTGQBMLBDBJ-ARFHVFGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994333029 1250381880 /nfs/dbraw/zinc/38/18/80/1250381880.db2.gz RMYOVOYYYGHDJI-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001328188877 1265499169 /nfs/dbraw/zinc/49/91/69/1265499169.db2.gz ADOCLKLSQDYCFY-OAHLLOKOSA-N 2 1 363.510 0.206 20 0 FCADMP C[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000994847267 1250710060 /nfs/dbraw/zinc/71/00/60/1250710060.db2.gz KUACUCQOKQSNFL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000994847267 1250710065 /nfs/dbraw/zinc/71/00/65/1250710065.db2.gz KUACUCQOKQSNFL-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995830968 1250998237 /nfs/dbraw/zinc/99/82/37/1250998237.db2.gz JIORNVTXTBPEKZ-RBSFLKMASA-N 2 1 363.510 0.750 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995830968 1250998250 /nfs/dbraw/zinc/99/82/50/1250998250.db2.gz JIORNVTXTBPEKZ-RBSFLKMASA-N 2 1 363.510 0.750 20 0 FCADMP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001516113682 1265537924 /nfs/dbraw/zinc/53/79/24/1265537924.db2.gz YGYIZSRLSFLAMJ-UHFFFAOYSA-N 2 1 364.449 0.976 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997101795 1251496047 /nfs/dbraw/zinc/49/60/47/1251496047.db2.gz SDPMSFDVULYHLP-UMVBOHGHSA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997101795 1251496058 /nfs/dbraw/zinc/49/60/58/1251496058.db2.gz SDPMSFDVULYHLP-UMVBOHGHSA-N 2 1 364.494 0.165 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)c2)CC1 ZINC001328581781 1265582531 /nfs/dbraw/zinc/58/25/31/1265582531.db2.gz WFUYVEQYCRARBB-LJQANCHMSA-N 2 1 360.502 0.819 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC000998625640 1251928219 /nfs/dbraw/zinc/92/82/19/1251928219.db2.gz OWNCXCBQOQWGBH-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC000998625640 1251928225 /nfs/dbraw/zinc/92/82/25/1251928225.db2.gz OWNCXCBQOQWGBH-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000999202817 1252069341 /nfs/dbraw/zinc/06/93/41/1252069341.db2.gz YFTJDTFMNJPXRB-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001002248376 1252488959 /nfs/dbraw/zinc/48/89/59/1252488959.db2.gz PVLBBOQXJWDYLC-OLMNPRSZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001002555291 1252598163 /nfs/dbraw/zinc/59/81/63/1252598163.db2.gz IJVWXLXMBQXBSE-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001002833321 1252696620 /nfs/dbraw/zinc/69/66/20/1252696620.db2.gz UHXDQSINWZWTFF-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001002833321 1252696632 /nfs/dbraw/zinc/69/66/32/1252696632.db2.gz UHXDQSINWZWTFF-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001002835619 1252698008 /nfs/dbraw/zinc/69/80/08/1252698008.db2.gz QEYLXDPRAIFZJA-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001002835619 1252698015 /nfs/dbraw/zinc/69/80/15/1252698015.db2.gz QEYLXDPRAIFZJA-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001002841060 1252700952 /nfs/dbraw/zinc/70/09/52/1252700952.db2.gz ROVCMCVPWNVWAW-WCXIOVBPSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001002841060 1252700954 /nfs/dbraw/zinc/70/09/54/1252700954.db2.gz ROVCMCVPWNVWAW-WCXIOVBPSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001004214129 1253251010 /nfs/dbraw/zinc/25/10/10/1253251010.db2.gz XCBGDCGVZABLQQ-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001004214129 1253251018 /nfs/dbraw/zinc/25/10/18/1253251018.db2.gz XCBGDCGVZABLQQ-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004365620 1253301835 /nfs/dbraw/zinc/30/18/35/1253301835.db2.gz HKTDDRGPKKRYAM-HZMVEIRTSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392384 1253312400 /nfs/dbraw/zinc/31/24/00/1253312400.db2.gz TXJBQABFHJYJRH-VQHPVUNQSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001005581299 1253584514 /nfs/dbraw/zinc/58/45/14/1253584514.db2.gz LJWVDWNXJHBINT-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001005581299 1253584519 /nfs/dbraw/zinc/58/45/19/1253584519.db2.gz LJWVDWNXJHBINT-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC[NH+](CC(N)=O)CC1 ZINC001006028465 1253690189 /nfs/dbraw/zinc/69/01/89/1253690189.db2.gz HHACEQMYJZKODY-MSOLQXFVSA-N 2 1 358.486 0.740 20 0 FCADMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC[NH+](CC(N)=O)CC1 ZINC001006028465 1253690201 /nfs/dbraw/zinc/69/02/01/1253690201.db2.gz HHACEQMYJZKODY-MSOLQXFVSA-N 2 1 358.486 0.740 20 0 FCADMP COc1cccc(OC)c1OC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001329491577 1265767823 /nfs/dbraw/zinc/76/78/23/1265767823.db2.gz UXFHWEDGQUINBX-UHFFFAOYSA-N 2 1 363.458 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC001026496072 1253845933 /nfs/dbraw/zinc/84/59/33/1253845933.db2.gz IWPGQMJEGYUXBC-UWLZSVRSSA-N 2 1 361.494 0.865 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001027416178 1253850186 /nfs/dbraw/zinc/85/01/86/1253850186.db2.gz ASPNGIFEVUELMV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001027416178 1253850200 /nfs/dbraw/zinc/85/02/00/1253850200.db2.gz ASPNGIFEVUELMV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001027416178 1253850216 /nfs/dbraw/zinc/85/02/16/1253850216.db2.gz ASPNGIFEVUELMV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001027416178 1253850230 /nfs/dbraw/zinc/85/02/30/1253850230.db2.gz ASPNGIFEVUELMV-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465552 1253854695 /nfs/dbraw/zinc/85/46/95/1253854695.db2.gz WKSTVDCMZWSFFO-FHLIZLRMSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465552 1253854701 /nfs/dbraw/zinc/85/47/01/1253854701.db2.gz WKSTVDCMZWSFFO-FHLIZLRMSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465552 1253854707 /nfs/dbraw/zinc/85/47/07/1253854707.db2.gz WKSTVDCMZWSFFO-FHLIZLRMSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465552 1253854711 /nfs/dbraw/zinc/85/47/11/1253854711.db2.gz WKSTVDCMZWSFFO-FHLIZLRMSA-N 2 1 363.506 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001033838262 1253968455 /nfs/dbraw/zinc/96/84/55/1253968455.db2.gz MOXIKFRFDNALMZ-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033838262 1253968464 /nfs/dbraw/zinc/96/84/64/1253968464.db2.gz MOXIKFRFDNALMZ-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001033838262 1253968477 /nfs/dbraw/zinc/96/84/77/1253968477.db2.gz MOXIKFRFDNALMZ-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001034274655 1253985333 /nfs/dbraw/zinc/98/53/33/1253985333.db2.gz UKBWSBOWIWKNBY-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001034274655 1253985350 /nfs/dbraw/zinc/98/53/50/1253985350.db2.gz UKBWSBOWIWKNBY-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001034274655 1253985358 /nfs/dbraw/zinc/98/53/58/1253985358.db2.gz UKBWSBOWIWKNBY-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001034274655 1253985373 /nfs/dbraw/zinc/98/53/73/1253985373.db2.gz UKBWSBOWIWKNBY-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971843 1254013992 /nfs/dbraw/zinc/01/39/92/1254013992.db2.gz WVKNQINVXRCMCY-FRFSOERESA-N 2 1 364.494 0.406 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971843 1254013999 /nfs/dbraw/zinc/01/39/99/1254013999.db2.gz WVKNQINVXRCMCY-FRFSOERESA-N 2 1 364.494 0.406 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4cnn(C)n4)C3)CC2)CC[N@@H+]1C ZINC001035186855 1254018397 /nfs/dbraw/zinc/01/83/97/1254018397.db2.gz MBZFMHQYQHEUMJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4cnn(C)n4)C3)CC2)CC[N@H+]1C ZINC001035186855 1254018415 /nfs/dbraw/zinc/01/84/15/1254018415.db2.gz MBZFMHQYQHEUMJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](Cc4cnn(C)n4)C3)CC2)CC[NH+]1C ZINC001035186855 1254018431 /nfs/dbraw/zinc/01/84/31/1254018431.db2.gz MBZFMHQYQHEUMJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4cnn(C)n4)C3)CC2)CC[NH+]1C ZINC001035186855 1254018444 /nfs/dbraw/zinc/01/84/44/1254018444.db2.gz MBZFMHQYQHEUMJ-NVXWUHKLSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+]([C@@H]4CCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035187532 1254019359 /nfs/dbraw/zinc/01/93/59/1254019359.db2.gz ZMXZBCNNADMIIB-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+]([C@@H]4CCN(C)C4=O)C3)CC2)CC[NH+]1C ZINC001035187532 1254019371 /nfs/dbraw/zinc/01/93/71/1254019371.db2.gz ZMXZBCNNADMIIB-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+]([C@@H]4CCN(C)C4=O)C3)CC2)CC[NH+]1C ZINC001035187532 1254019385 /nfs/dbraw/zinc/01/93/85/1254019385.db2.gz ZMXZBCNNADMIIB-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035201407 1254020890 /nfs/dbraw/zinc/02/08/90/1254020890.db2.gz VYJUFIOMYVQOLY-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035201407 1254020901 /nfs/dbraw/zinc/02/09/01/1254020901.db2.gz VYJUFIOMYVQOLY-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035201407 1254020905 /nfs/dbraw/zinc/02/09/05/1254020905.db2.gz VYJUFIOMYVQOLY-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035201407 1254020913 /nfs/dbraw/zinc/02/09/13/1254020913.db2.gz VYJUFIOMYVQOLY-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N4CCCC4)C3)CC2)CC[N@@H+]1C ZINC001035710768 1254059842 /nfs/dbraw/zinc/05/98/42/1254059842.db2.gz RJLDSIOCWLWAEH-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N4CCCC4)C3)CC2)CC[N@H+]1C ZINC001035710768 1254059855 /nfs/dbraw/zinc/05/98/55/1254059855.db2.gz RJLDSIOCWLWAEH-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@H]4CCCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035709737 1254060261 /nfs/dbraw/zinc/06/02/61/1254060261.db2.gz CDSITXCKTNYLEP-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@H]4CCCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035709737 1254060269 /nfs/dbraw/zinc/06/02/69/1254060269.db2.gz CDSITXCKTNYLEP-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)nc(C)[nH+]1 ZINC001043755903 1254072783 /nfs/dbraw/zinc/07/27/83/1254072783.db2.gz ISYNGHUCAWTQPV-FGTMMUONSA-N 2 1 371.485 0.851 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061620782 1254192953 /nfs/dbraw/zinc/19/29/53/1254192953.db2.gz GZGQPXLVQYFFFH-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061620782 1254192963 /nfs/dbraw/zinc/19/29/63/1254192963.db2.gz GZGQPXLVQYFFFH-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061620782 1254192973 /nfs/dbraw/zinc/19/29/73/1254192973.db2.gz GZGQPXLVQYFFFH-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061828816 1254228194 /nfs/dbraw/zinc/22/81/94/1254228194.db2.gz DKSXXMRCOUUYIG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)O1 ZINC001062263208 1254257112 /nfs/dbraw/zinc/25/71/12/1254257112.db2.gz ARSWWZKHRUAHTM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)O1 ZINC001062263208 1254257119 /nfs/dbraw/zinc/25/71/19/1254257119.db2.gz ARSWWZKHRUAHTM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC2)O1 ZINC001063365586 1254333880 /nfs/dbraw/zinc/33/38/80/1254333880.db2.gz VTMNJVUKKSYPDB-FVQBIDKESA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC2)O1 ZINC001063365586 1254333890 /nfs/dbraw/zinc/33/38/90/1254333890.db2.gz VTMNJVUKKSYPDB-FVQBIDKESA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001065207656 1254489989 /nfs/dbraw/zinc/48/99/89/1254489989.db2.gz UMFULHCFQDXQCE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CCO1 ZINC001065212471 1254494159 /nfs/dbraw/zinc/49/41/59/1254494159.db2.gz NLSCDDVUYSUXPU-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001065212471 1254494173 /nfs/dbraw/zinc/49/41/73/1254494173.db2.gz NLSCDDVUYSUXPU-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001065212471 1254494187 /nfs/dbraw/zinc/49/41/87/1254494187.db2.gz NLSCDDVUYSUXPU-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001065411657 1254531388 /nfs/dbraw/zinc/53/13/88/1254531388.db2.gz YZSBZIVRAVQWPE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001065411657 1254531403 /nfs/dbraw/zinc/53/14/03/1254531403.db2.gz YZSBZIVRAVQWPE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001065411657 1254531410 /nfs/dbraw/zinc/53/14/10/1254531410.db2.gz YZSBZIVRAVQWPE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001077618255 1254783560 /nfs/dbraw/zinc/78/35/60/1254783560.db2.gz CZQUYDBGMLTCOO-KZNAEPCWSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001077618255 1254783575 /nfs/dbraw/zinc/78/35/75/1254783575.db2.gz CZQUYDBGMLTCOO-KZNAEPCWSA-N 2 1 365.449 0.362 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1 ZINC001077679369 1254861359 /nfs/dbraw/zinc/86/13/59/1254861359.db2.gz PUJHHCFHMXGKTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1 ZINC001077679369 1254861369 /nfs/dbraw/zinc/86/13/69/1254861369.db2.gz PUJHHCFHMXGKTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001077679369 1254861378 /nfs/dbraw/zinc/86/13/78/1254861378.db2.gz PUJHHCFHMXGKTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001077679369 1254861389 /nfs/dbraw/zinc/86/13/89/1254861389.db2.gz PUJHHCFHMXGKTL-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001077685236 1254877988 /nfs/dbraw/zinc/87/79/88/1254877988.db2.gz GDOXYBAKOWOOHW-IAOVAPTHSA-N 2 1 364.446 0.082 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cc(C[NH+]2CCCC2)on1 ZINC001077685236 1254877998 /nfs/dbraw/zinc/87/79/98/1254877998.db2.gz GDOXYBAKOWOOHW-IAOVAPTHSA-N 2 1 364.446 0.082 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907062 1255087038 /nfs/dbraw/zinc/08/70/38/1255087038.db2.gz VTRYOFLULCWAPT-KZNAEPCWSA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907062 1255087046 /nfs/dbraw/zinc/08/70/46/1255087046.db2.gz VTRYOFLULCWAPT-KZNAEPCWSA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975755 1255139956 /nfs/dbraw/zinc/13/99/56/1255139956.db2.gz ZUCQXUMHVHNQFX-BHIYHBOVSA-N 2 1 365.518 0.696 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001077981708 1255143876 /nfs/dbraw/zinc/14/38/76/1255143876.db2.gz YLQVBLRRAFVHTA-FGTMMUONSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001077981708 1255143878 /nfs/dbraw/zinc/14/38/78/1255143878.db2.gz YLQVBLRRAFVHTA-FGTMMUONSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077981708 1255143883 /nfs/dbraw/zinc/14/38/83/1255143883.db2.gz YLQVBLRRAFVHTA-FGTMMUONSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077981708 1255143885 /nfs/dbraw/zinc/14/38/85/1255143885.db2.gz YLQVBLRRAFVHTA-FGTMMUONSA-N 2 1 363.506 0.699 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078012911 1255168668 /nfs/dbraw/zinc/16/86/68/1255168668.db2.gz IHEAHTZTRLQPPV-QZTJIDSGSA-N 2 1 359.470 0.590 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078012911 1255168670 /nfs/dbraw/zinc/16/86/70/1255168670.db2.gz IHEAHTZTRLQPPV-QZTJIDSGSA-N 2 1 359.470 0.590 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175409 1255287759 /nfs/dbraw/zinc/28/77/59/1255287759.db2.gz ZCISQDDUPRGQCA-KBAYOESNSA-N 2 1 370.453 0.955 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175409 1255287766 /nfs/dbraw/zinc/28/77/66/1255287766.db2.gz ZCISQDDUPRGQCA-KBAYOESNSA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175409 1255287771 /nfs/dbraw/zinc/28/77/71/1255287771.db2.gz ZCISQDDUPRGQCA-KBAYOESNSA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)C[C@H]2O)C1 ZINC001078175409 1255287778 /nfs/dbraw/zinc/28/77/78/1255287778.db2.gz ZCISQDDUPRGQCA-KBAYOESNSA-N 2 1 370.453 0.955 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174415 1255288021 /nfs/dbraw/zinc/28/80/21/1255288021.db2.gz KRGXWDDXCKVOCU-QXAKKESOSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174415 1255288023 /nfs/dbraw/zinc/28/80/23/1255288023.db2.gz KRGXWDDXCKVOCU-QXAKKESOSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001078174415 1255288026 /nfs/dbraw/zinc/28/80/26/1255288026.db2.gz KRGXWDDXCKVOCU-QXAKKESOSA-N 2 1 354.454 0.848 20 0 FCADMP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175809 1255290146 /nfs/dbraw/zinc/29/01/46/1255290146.db2.gz NRKLPDHDUMFTMG-QXAKKESOSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175809 1255290153 /nfs/dbraw/zinc/29/01/53/1255290153.db2.gz NRKLPDHDUMFTMG-QXAKKESOSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175809 1255290159 /nfs/dbraw/zinc/29/01/59/1255290159.db2.gz NRKLPDHDUMFTMG-QXAKKESOSA-N 2 1 361.486 0.795 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175792 1255290582 /nfs/dbraw/zinc/29/05/82/1255290582.db2.gz MMMJGCAMCQNPEO-BZUAXINKSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175792 1255290589 /nfs/dbraw/zinc/29/05/89/1255290589.db2.gz MMMJGCAMCQNPEO-BZUAXINKSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175792 1255290595 /nfs/dbraw/zinc/29/05/95/1255290595.db2.gz MMMJGCAMCQNPEO-BZUAXINKSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175792 1255290599 /nfs/dbraw/zinc/29/05/99/1255290599.db2.gz MMMJGCAMCQNPEO-BZUAXINKSA-N 2 1 363.458 0.187 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@@H+]1C ZINC001078404169 1255407091 /nfs/dbraw/zinc/40/70/91/1255407091.db2.gz UEQNFTLAFIATDY-YESZJQIVSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001078404169 1255407096 /nfs/dbraw/zinc/40/70/96/1255407096.db2.gz UEQNFTLAFIATDY-YESZJQIVSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001078404348 1255408903 /nfs/dbraw/zinc/40/89/03/1255408903.db2.gz YVXLXCUMYDABBY-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405753 1255408966 /nfs/dbraw/zinc/40/89/66/1255408966.db2.gz XDSYVEIVDZPZAA-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405753 1255408968 /nfs/dbraw/zinc/40/89/68/1255408968.db2.gz XDSYVEIVDZPZAA-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)o1 ZINC001079717487 1255584960 /nfs/dbraw/zinc/58/49/60/1255584960.db2.gz KPLGQZUVGGQXLR-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)o1 ZINC001079717487 1255584967 /nfs/dbraw/zinc/58/49/67/1255584967.db2.gz KPLGQZUVGGQXLR-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806585 1255613885 /nfs/dbraw/zinc/61/38/85/1255613885.db2.gz NNKUDVBNZGXCAV-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806585 1255613897 /nfs/dbraw/zinc/61/38/97/1255613897.db2.gz NNKUDVBNZGXCAV-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001079806585 1255613904 /nfs/dbraw/zinc/61/39/04/1255613904.db2.gz NNKUDVBNZGXCAV-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949098 1255676170 /nfs/dbraw/zinc/67/61/70/1255676170.db2.gz OXPPVNHLZFJSFZ-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001079951384 1255677705 /nfs/dbraw/zinc/67/77/05/1255677705.db2.gz KGZLMAKRJFZTFK-JOCBIADPSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001079951384 1255677708 /nfs/dbraw/zinc/67/77/08/1255677708.db2.gz KGZLMAKRJFZTFK-JOCBIADPSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001079951384 1255677711 /nfs/dbraw/zinc/67/77/11/1255677711.db2.gz KGZLMAKRJFZTFK-JOCBIADPSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001079951384 1255677727 /nfs/dbraw/zinc/67/77/27/1255677727.db2.gz KGZLMAKRJFZTFK-JOCBIADPSA-N 2 1 363.506 0.601 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951579 1255678714 /nfs/dbraw/zinc/67/87/14/1255678714.db2.gz UZXVEDXKMJDYTR-OHDICMOHSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951579 1255678719 /nfs/dbraw/zinc/67/87/19/1255678719.db2.gz UZXVEDXKMJDYTR-OHDICMOHSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951579 1255678724 /nfs/dbraw/zinc/67/87/24/1255678724.db2.gz UZXVEDXKMJDYTR-OHDICMOHSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951579 1255678735 /nfs/dbraw/zinc/67/87/35/1255678735.db2.gz UZXVEDXKMJDYTR-OHDICMOHSA-N 2 1 361.486 0.835 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317752 1255838431 /nfs/dbraw/zinc/83/84/31/1255838431.db2.gz AMUPWIDEYADGBQ-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317752 1255838443 /nfs/dbraw/zinc/83/84/43/1255838443.db2.gz AMUPWIDEYADGBQ-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317752 1255838454 /nfs/dbraw/zinc/83/84/54/1255838454.db2.gz AMUPWIDEYADGBQ-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001080317752 1255838466 /nfs/dbraw/zinc/83/84/66/1255838466.db2.gz AMUPWIDEYADGBQ-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001080878036 1256071956 /nfs/dbraw/zinc/07/19/56/1256071956.db2.gz XFSYSLPGGRBGSW-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080930260 1256101464 /nfs/dbraw/zinc/10/14/64/1256101464.db2.gz QCTKZKNTGPEPGN-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080930260 1256101465 /nfs/dbraw/zinc/10/14/65/1256101465.db2.gz QCTKZKNTGPEPGN-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080934953 1256103265 /nfs/dbraw/zinc/10/32/65/1256103265.db2.gz HAGRRAFDBYAYLZ-UKPHBRMFSA-N 2 1 356.474 0.857 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934953 1256103273 /nfs/dbraw/zinc/10/32/73/1256103273.db2.gz HAGRRAFDBYAYLZ-UKPHBRMFSA-N 2 1 356.474 0.857 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934953 1256103276 /nfs/dbraw/zinc/10/32/76/1256103276.db2.gz HAGRRAFDBYAYLZ-UKPHBRMFSA-N 2 1 356.474 0.857 20 0 FCADMP CNC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001080936359 1256103379 /nfs/dbraw/zinc/10/33/79/1256103379.db2.gz UYONRWTXTYAITO-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001080936359 1256103383 /nfs/dbraw/zinc/10/33/83/1256103383.db2.gz UYONRWTXTYAITO-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001080936359 1256103385 /nfs/dbraw/zinc/10/33/85/1256103385.db2.gz UYONRWTXTYAITO-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)C1 ZINC001081167999 1256197613 /nfs/dbraw/zinc/19/76/13/1256197613.db2.gz BURRNUPABGWXCS-OTWHNJEPSA-N 2 1 361.486 0.672 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)C1 ZINC001081167999 1256197615 /nfs/dbraw/zinc/19/76/15/1256197615.db2.gz BURRNUPABGWXCS-OTWHNJEPSA-N 2 1 361.486 0.672 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1)OC ZINC001081686074 1256334213 /nfs/dbraw/zinc/33/42/13/1256334213.db2.gz DTARNQQGLASMPS-USXIJHARSA-N 2 1 367.494 0.299 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2OC)CC[N@@H+]1C ZINC001081699461 1256338059 /nfs/dbraw/zinc/33/80/59/1256338059.db2.gz XIZIMPYMKFCIGE-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2OC)CC[N@H+]1C ZINC001081699461 1256338061 /nfs/dbraw/zinc/33/80/61/1256338061.db2.gz XIZIMPYMKFCIGE-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2OC)CC[NH+]1C ZINC001081699461 1256338062 /nfs/dbraw/zinc/33/80/62/1256338062.db2.gz XIZIMPYMKFCIGE-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2OC)CC[NH+]1C ZINC001081699461 1256338065 /nfs/dbraw/zinc/33/80/65/1256338065.db2.gz XIZIMPYMKFCIGE-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092646 1256531363 /nfs/dbraw/zinc/53/13/63/1256531363.db2.gz JEBQWMQTTHVCAI-IAGOWNOFSA-N 2 1 362.474 0.043 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082123570 1256544609 /nfs/dbraw/zinc/54/46/09/1256544609.db2.gz VMMZOCHHJKZQMO-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082123570 1256544613 /nfs/dbraw/zinc/54/46/13/1256544613.db2.gz VMMZOCHHJKZQMO-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082123570 1256544616 /nfs/dbraw/zinc/54/46/16/1256544616.db2.gz VMMZOCHHJKZQMO-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082123570 1256544619 /nfs/dbraw/zinc/54/46/19/1256544619.db2.gz VMMZOCHHJKZQMO-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134928 1256552116 /nfs/dbraw/zinc/55/21/16/1256552116.db2.gz IQOPGUCSPARQFA-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134928 1256552120 /nfs/dbraw/zinc/55/21/20/1256552120.db2.gz IQOPGUCSPARQFA-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082134928 1256552122 /nfs/dbraw/zinc/55/21/22/1256552122.db2.gz IQOPGUCSPARQFA-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082134928 1256552127 /nfs/dbraw/zinc/55/21/27/1256552127.db2.gz IQOPGUCSPARQFA-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1)OC ZINC001082223370 1256596414 /nfs/dbraw/zinc/59/64/14/1256596414.db2.gz SDGBWLZWBFMCBX-BRWVUGGUSA-N 2 1 367.494 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)O1 ZINC001082259187 1256616207 /nfs/dbraw/zinc/61/62/07/1256616207.db2.gz XOERHZPWKYQHAW-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)O1 ZINC001082259187 1256616216 /nfs/dbraw/zinc/61/62/16/1256616216.db2.gz XOERHZPWKYQHAW-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290149 1256634940 /nfs/dbraw/zinc/63/49/40/1256634940.db2.gz LNZVZDRFRHYNPJ-IAGOWNOFSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290149 1256634948 /nfs/dbraw/zinc/63/49/48/1256634948.db2.gz LNZVZDRFRHYNPJ-IAGOWNOFSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328514 1256671334 /nfs/dbraw/zinc/67/13/34/1256671334.db2.gz XXUZKAKBJXFHRM-QZTJIDSGSA-N 2 1 359.470 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001082458154 1256771289 /nfs/dbraw/zinc/77/12/89/1256771289.db2.gz ADDZQYYFIZVJOH-NIKGAXFTSA-N 2 1 359.470 0.984 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001082458154 1256771295 /nfs/dbraw/zinc/77/12/95/1256771295.db2.gz ADDZQYYFIZVJOH-NIKGAXFTSA-N 2 1 359.470 0.984 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082507588 1256793634 /nfs/dbraw/zinc/79/36/34/1256793634.db2.gz WZEOPLYSALGBJE-OAGGEKHMSA-N 2 1 364.490 0.445 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082507971 1256793695 /nfs/dbraw/zinc/79/36/95/1256793695.db2.gz LOEFNKUQUNUIBZ-BMFZPTHFSA-N 2 1 361.494 0.817 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082507971 1256793699 /nfs/dbraw/zinc/79/36/99/1256793699.db2.gz LOEFNKUQUNUIBZ-BMFZPTHFSA-N 2 1 361.494 0.817 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082544800 1256834196 /nfs/dbraw/zinc/83/41/96/1256834196.db2.gz SIVVSZABCJOLSN-BMFZPTHFSA-N 2 1 361.494 0.819 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082544800 1256834204 /nfs/dbraw/zinc/83/42/04/1256834204.db2.gz SIVVSZABCJOLSN-BMFZPTHFSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082558256 1256854321 /nfs/dbraw/zinc/85/43/21/1256854321.db2.gz HHZSQQQCTXWSNJ-NXHRZFHOSA-N 2 1 356.474 0.845 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082559995 1256857511 /nfs/dbraw/zinc/85/75/11/1256857511.db2.gz WKAQLKIDKZWYNP-VMGRFDJRSA-N 2 1 360.506 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082595980 1256908437 /nfs/dbraw/zinc/90/84/37/1256908437.db2.gz OXBREAQGLPULGR-RBSFLKMASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082595980 1256908442 /nfs/dbraw/zinc/90/84/42/1256908442.db2.gz OXBREAQGLPULGR-RBSFLKMASA-N 2 1 363.510 0.849 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001082616955 1256927530 /nfs/dbraw/zinc/92/75/30/1256927530.db2.gz JUVVGMPLRZJBQO-HUUCEWRRSA-N 2 1 361.494 0.648 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)ncn1 ZINC001082653430 1256958069 /nfs/dbraw/zinc/95/80/69/1256958069.db2.gz KJUOGPABPCCBIS-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001082703204 1256994999 /nfs/dbraw/zinc/99/49/99/1256994999.db2.gz DAUCHOFXOVRLLF-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001082703204 1256995004 /nfs/dbraw/zinc/99/50/04/1256995004.db2.gz DAUCHOFXOVRLLF-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082702921 1256995246 /nfs/dbraw/zinc/99/52/46/1256995246.db2.gz OPWRRCGZOJSIMA-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001082702921 1256995251 /nfs/dbraw/zinc/99/52/51/1256995251.db2.gz OPWRRCGZOJSIMA-ZACQAIPSSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082742427 1257024161 /nfs/dbraw/zinc/02/41/61/1257024161.db2.gz FJCMGWCACSANFF-CLCXKQKWSA-N 2 1 368.497 0.868 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C)C(N)=O ZINC001082745684 1257026926 /nfs/dbraw/zinc/02/69/26/1257026926.db2.gz MGMNGNNWRFKWCO-IVMMDQJWSA-N 2 1 363.462 0.584 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1)[NH+](C)C ZINC001082748485 1257028825 /nfs/dbraw/zinc/02/88/25/1257028825.db2.gz NTKGJHLNQDOMNA-OIISXLGYSA-N 2 1 371.489 0.939 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082861774 1257113502 /nfs/dbraw/zinc/11/35/02/1257113502.db2.gz OCQSEPSXDYEYAM-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082861774 1257113506 /nfs/dbraw/zinc/11/35/06/1257113506.db2.gz OCQSEPSXDYEYAM-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1 ZINC001082922533 1257146709 /nfs/dbraw/zinc/14/67/09/1257146709.db2.gz LHSATXGCOXKFPD-BFYDXBDKSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)C1 ZINC001082933709 1257154800 /nfs/dbraw/zinc/15/48/00/1257154800.db2.gz GMEISVCSSSWTIF-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)C1 ZINC001082933709 1257154804 /nfs/dbraw/zinc/15/48/04/1257154804.db2.gz GMEISVCSSSWTIF-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001083083873 1257283940 /nfs/dbraw/zinc/28/39/40/1257283940.db2.gz POZLXFINHJPZCR-CEXWTWQISA-N 2 1 363.502 0.809 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105991 1257321344 /nfs/dbraw/zinc/32/13/44/1257321344.db2.gz DUOJIALHLXTYRD-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CN1CCC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105991 1257321356 /nfs/dbraw/zinc/32/13/56/1257321356.db2.gz DUOJIALHLXTYRD-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CN1CCC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105991 1257321362 /nfs/dbraw/zinc/32/13/62/1257321362.db2.gz DUOJIALHLXTYRD-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001083148701 1257403565 /nfs/dbraw/zinc/40/35/65/1257403565.db2.gz BAGFBOGFYSMAFF-KZIZELGASA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083148701 1257403571 /nfs/dbraw/zinc/40/35/71/1257403571.db2.gz BAGFBOGFYSMAFF-KZIZELGASA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083148701 1257403574 /nfs/dbraw/zinc/40/35/74/1257403574.db2.gz BAGFBOGFYSMAFF-KZIZELGASA-N 2 1 361.486 0.561 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654191 1257465022 /nfs/dbraw/zinc/46/50/22/1257465022.db2.gz AVANFNWAYHQMCJ-TUKJNDCMSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654191 1257465026 /nfs/dbraw/zinc/46/50/26/1257465026.db2.gz AVANFNWAYHQMCJ-TUKJNDCMSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)cc1 ZINC001083654191 1257465028 /nfs/dbraw/zinc/46/50/28/1257465028.db2.gz AVANFNWAYHQMCJ-TUKJNDCMSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723559 1257467244 /nfs/dbraw/zinc/46/72/44/1257467244.db2.gz PMNUBJAVNSBAME-QYZOEREBSA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723559 1257467250 /nfs/dbraw/zinc/46/72/50/1257467250.db2.gz PMNUBJAVNSBAME-QYZOEREBSA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723559 1257467255 /nfs/dbraw/zinc/46/72/55/1257467255.db2.gz PMNUBJAVNSBAME-QYZOEREBSA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723559 1257467261 /nfs/dbraw/zinc/46/72/61/1257467261.db2.gz PMNUBJAVNSBAME-QYZOEREBSA-N 2 1 361.486 0.766 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778170 1257518945 /nfs/dbraw/zinc/51/89/45/1257518945.db2.gz DMYNNOSXLBOVEZ-SUMDDJOVSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778170 1257518948 /nfs/dbraw/zinc/51/89/48/1257518948.db2.gz DMYNNOSXLBOVEZ-SUMDDJOVSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778170 1257518953 /nfs/dbraw/zinc/51/89/53/1257518953.db2.gz DMYNNOSXLBOVEZ-SUMDDJOVSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083778170 1257518959 /nfs/dbraw/zinc/51/89/59/1257518959.db2.gz DMYNNOSXLBOVEZ-SUMDDJOVSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831741 1257584940 /nfs/dbraw/zinc/58/49/40/1257584940.db2.gz ZJGZKQYREJUMQL-NXHRZFHOSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831741 1257584942 /nfs/dbraw/zinc/58/49/42/1257584942.db2.gz ZJGZKQYREJUMQL-NXHRZFHOSA-N 2 1 363.506 0.388 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083832547 1257585730 /nfs/dbraw/zinc/58/57/30/1257585730.db2.gz LFQMGWKXHZTGBT-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083832547 1257585735 /nfs/dbraw/zinc/58/57/35/1257585735.db2.gz LFQMGWKXHZTGBT-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083832547 1257585739 /nfs/dbraw/zinc/58/57/39/1257585739.db2.gz LFQMGWKXHZTGBT-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083832547 1257585742 /nfs/dbraw/zinc/58/57/42/1257585742.db2.gz LFQMGWKXHZTGBT-SQNIBIBYSA-N 2 1 363.506 0.387 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083952934 1257740710 /nfs/dbraw/zinc/74/07/10/1257740710.db2.gz APGIFZNEAGULKT-UHOSZYNNSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001083952934 1257740717 /nfs/dbraw/zinc/74/07/17/1257740717.db2.gz APGIFZNEAGULKT-UHOSZYNNSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001083952934 1257740721 /nfs/dbraw/zinc/74/07/21/1257740721.db2.gz APGIFZNEAGULKT-UHOSZYNNSA-N 2 1 361.486 0.836 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083954760 1257744346 /nfs/dbraw/zinc/74/43/46/1257744346.db2.gz HJQRZVZERMKUFB-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083954760 1257744348 /nfs/dbraw/zinc/74/43/48/1257744348.db2.gz HJQRZVZERMKUFB-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083954760 1257744350 /nfs/dbraw/zinc/74/43/50/1257744350.db2.gz HJQRZVZERMKUFB-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955047 1257745070 /nfs/dbraw/zinc/74/50/70/1257745070.db2.gz USPLPPQASFMVMJ-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955047 1257745075 /nfs/dbraw/zinc/74/50/75/1257745075.db2.gz USPLPPQASFMVMJ-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955047 1257745081 /nfs/dbraw/zinc/74/50/81/1257745081.db2.gz USPLPPQASFMVMJ-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955047 1257745089 /nfs/dbraw/zinc/74/50/89/1257745089.db2.gz USPLPPQASFMVMJ-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083957790 1257747322 /nfs/dbraw/zinc/74/73/22/1257747322.db2.gz ORVNBPYPUMUFED-MSOLQXFVSA-N 2 1 359.470 0.495 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958851 1257749646 /nfs/dbraw/zinc/74/96/46/1257749646.db2.gz ZANPTXUZIPFOEH-MOPGFXCFSA-N 2 1 355.482 0.932 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053622 1257865205 /nfs/dbraw/zinc/86/52/05/1257865205.db2.gz DSOFUXMKCFZHCE-KSZLIROESA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053622 1257865216 /nfs/dbraw/zinc/86/52/16/1257865216.db2.gz DSOFUXMKCFZHCE-KSZLIROESA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053622 1257865227 /nfs/dbraw/zinc/86/52/27/1257865227.db2.gz DSOFUXMKCFZHCE-KSZLIROESA-N 2 1 361.486 0.741 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1F ZINC001331120358 1266151712 /nfs/dbraw/zinc/15/17/12/1266151712.db2.gz TTXIJNZTMGNODM-SMDDNHRTSA-N 2 1 359.405 0.884 20 0 FCADMP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001084347227 1258040918 /nfs/dbraw/zinc/04/09/18/1258040918.db2.gz KQTICGZGLJGNAD-BPQIPLTHSA-N 2 1 360.502 0.482 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001084347227 1258040924 /nfs/dbraw/zinc/04/09/24/1258040924.db2.gz KQTICGZGLJGNAD-BPQIPLTHSA-N 2 1 360.502 0.482 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001331164747 1266161297 /nfs/dbraw/zinc/16/12/97/1266161297.db2.gz KBCMOOJRVLGGIK-XYJFISCASA-N 2 1 360.502 0.842 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442851 1258115838 /nfs/dbraw/zinc/11/58/38/1258115838.db2.gz SVTCQEXDDNAPTE-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442851 1258115841 /nfs/dbraw/zinc/11/58/41/1258115841.db2.gz SVTCQEXDDNAPTE-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450772 1258118039 /nfs/dbraw/zinc/11/80/39/1258118039.db2.gz YMTOQDVGUWPZSS-BZUAXINKSA-N 2 1 366.506 0.141 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450772 1258118041 /nfs/dbraw/zinc/11/80/41/1258118041.db2.gz YMTOQDVGUWPZSS-BZUAXINKSA-N 2 1 366.506 0.141 20 0 FCADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3cccnc3)C[C@H]21 ZINC001084532894 1258157095 /nfs/dbraw/zinc/15/70/95/1258157095.db2.gz UIMDFWBGHHXQGK-ARCLZCIDSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](Cc3cccnc3)C[C@H]21 ZINC001084532894 1258157101 /nfs/dbraw/zinc/15/71/01/1258157101.db2.gz UIMDFWBGHHXQGK-ARCLZCIDSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@H+](Cc3cccnc3)C[C@H]21 ZINC001084532894 1258157106 /nfs/dbraw/zinc/15/71/06/1258157106.db2.gz UIMDFWBGHHXQGK-ARCLZCIDSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](Cc3cccnc3)C[C@H]21 ZINC001084532894 1258157109 /nfs/dbraw/zinc/15/71/09/1258157109.db2.gz UIMDFWBGHHXQGK-ARCLZCIDSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084545561 1258164886 /nfs/dbraw/zinc/16/48/86/1258164886.db2.gz OMIYOOZQAUKJOZ-KURKYZTESA-N 2 1 358.490 0.685 20 0 FCADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084545561 1258164888 /nfs/dbraw/zinc/16/48/88/1258164888.db2.gz OMIYOOZQAUKJOZ-KURKYZTESA-N 2 1 358.490 0.685 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1=O ZINC001084629131 1258209790 /nfs/dbraw/zinc/20/97/90/1258209790.db2.gz GXXFTGUVHRLRRK-QZTJIDSGSA-N 2 1 358.486 0.760 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775933 1258318873 /nfs/dbraw/zinc/31/88/73/1258318873.db2.gz ZKSVGQXMFSDYMI-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775933 1258318883 /nfs/dbraw/zinc/31/88/83/1258318883.db2.gz ZKSVGQXMFSDYMI-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084775933 1258318890 /nfs/dbraw/zinc/31/88/90/1258318890.db2.gz ZKSVGQXMFSDYMI-ARFHVFGLSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1)C1CC1 ZINC001084957929 1258469336 /nfs/dbraw/zinc/46/93/36/1258469336.db2.gz FCRBJQCDBMEQKR-AYBZRNKSSA-N 2 1 362.518 0.872 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971283 1258482368 /nfs/dbraw/zinc/48/23/68/1258482368.db2.gz WOARHICNKYCDKU-CVEARBPZSA-N 2 1 366.506 0.014 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001084971283 1258482370 /nfs/dbraw/zinc/48/23/70/1258482370.db2.gz WOARHICNKYCDKU-CVEARBPZSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084990234 1258501083 /nfs/dbraw/zinc/50/10/83/1258501083.db2.gz JKQOGHVTWCMTHX-SJORKVTESA-N 2 1 359.474 0.737 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084990234 1258501085 /nfs/dbraw/zinc/50/10/85/1258501085.db2.gz JKQOGHVTWCMTHX-SJORKVTESA-N 2 1 359.474 0.737 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001085033501 1258535639 /nfs/dbraw/zinc/53/56/39/1258535639.db2.gz JYFYDVUEDMRVEK-WBVHZDCISA-N 2 1 362.518 0.920 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001085033501 1258535642 /nfs/dbraw/zinc/53/56/42/1258535642.db2.gz JYFYDVUEDMRVEK-WBVHZDCISA-N 2 1 362.518 0.920 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001085033501 1258535646 /nfs/dbraw/zinc/53/56/46/1258535646.db2.gz JYFYDVUEDMRVEK-WBVHZDCISA-N 2 1 362.518 0.920 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001085033501 1258535652 /nfs/dbraw/zinc/53/56/52/1258535652.db2.gz JYFYDVUEDMRVEK-WBVHZDCISA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093032 1258587206 /nfs/dbraw/zinc/58/72/06/1258587206.db2.gz BIOBOWKPWDSXLD-PMPSAXMXSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093032 1258587214 /nfs/dbraw/zinc/58/72/14/1258587214.db2.gz BIOBOWKPWDSXLD-PMPSAXMXSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093032 1258587220 /nfs/dbraw/zinc/58/72/20/1258587220.db2.gz BIOBOWKPWDSXLD-PMPSAXMXSA-N 2 1 362.474 0.010 20 0 FCADMP Cc1oncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140379 1258654500 /nfs/dbraw/zinc/65/45/00/1258654500.db2.gz ITEAPBFXPOFGSI-AEFFLSMTSA-N 2 1 362.474 0.986 20 0 FCADMP Cc1oncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140379 1258654509 /nfs/dbraw/zinc/65/45/09/1258654509.db2.gz ITEAPBFXPOFGSI-AEFFLSMTSA-N 2 1 362.474 0.986 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153584 1258665433 /nfs/dbraw/zinc/66/54/33/1258665433.db2.gz BECVPNMGFTXUHI-VYDXJSESSA-N 2 1 366.506 0.141 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001088157759 1258669752 /nfs/dbraw/zinc/66/97/52/1258669752.db2.gz FWRNEFUHCDCPBT-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)nn1 ZINC001088172426 1258694227 /nfs/dbraw/zinc/69/42/27/1258694227.db2.gz MIFLKFKVIUDNHF-CVEARBPZSA-N 2 1 358.490 0.674 20 0 FCADMP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)nn1 ZINC001088172426 1258694235 /nfs/dbraw/zinc/69/42/35/1258694235.db2.gz MIFLKFKVIUDNHF-CVEARBPZSA-N 2 1 358.490 0.674 20 0 FCADMP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200016 1258721643 /nfs/dbraw/zinc/72/16/43/1258721643.db2.gz LQYPNEXLKXKLQV-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200016 1258721648 /nfs/dbraw/zinc/72/16/48/1258721648.db2.gz LQYPNEXLKXKLQV-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200016 1258721655 /nfs/dbraw/zinc/72/16/55/1258721655.db2.gz LQYPNEXLKXKLQV-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200016 1258721661 /nfs/dbraw/zinc/72/16/61/1258721661.db2.gz LQYPNEXLKXKLQV-PMPSAXMXSA-N 2 1 359.474 0.717 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001088201688 1258724722 /nfs/dbraw/zinc/72/47/22/1258724722.db2.gz PKDHPVLZZMVSBH-SQNIBIBYSA-N 2 1 361.490 0.120 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331395405 1266206744 /nfs/dbraw/zinc/20/67/44/1266206744.db2.gz DIQDSMIZNRKYRS-BZSNNMDCSA-N 2 1 367.538 0.600 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721267 1258819392 /nfs/dbraw/zinc/81/93/92/1258819392.db2.gz KCBHMFHRCKCKFV-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782707 1258843780 /nfs/dbraw/zinc/84/37/80/1258843780.db2.gz WNTPPMNPSXJTGZ-UNEWFSDZSA-N 2 1 355.442 0.911 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001092817279 1258854286 /nfs/dbraw/zinc/85/42/86/1258854286.db2.gz RWLWGJFJYFBPBL-CKEIUWERSA-N 2 1 368.441 0.454 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331432597 1266215619 /nfs/dbraw/zinc/21/56/19/1266215619.db2.gz SCQFLIXMNQCMLJ-MSOLQXFVSA-N 2 1 367.538 0.553 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331432601 1266215701 /nfs/dbraw/zinc/21/57/01/1266215701.db2.gz SCQFLIXMNQCMLJ-ROUUACIJSA-N 2 1 367.538 0.553 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665237 1258937502 /nfs/dbraw/zinc/93/75/02/1258937502.db2.gz NCEZYRQNOBMOOB-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666709 1258937559 /nfs/dbraw/zinc/93/75/59/1258937559.db2.gz RFHJUXSAOJPDBR-GVDBMIGSSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001106672384 1258937971 /nfs/dbraw/zinc/93/79/71/1258937971.db2.gz SJNWCLRIXQMZKE-JFIYKMOQSA-N 2 1 360.502 0.719 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106672155 1258938097 /nfs/dbraw/zinc/93/80/97/1258938097.db2.gz HRLROJLFPKLYLT-HZSPNIEDSA-N 2 1 369.510 0.232 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001106672514 1258938304 /nfs/dbraw/zinc/93/83/04/1258938304.db2.gz AJTSYQQGJNGGKS-RBSFLKMASA-N 2 1 365.526 0.933 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106764974 1258957334 /nfs/dbraw/zinc/95/73/34/1258957334.db2.gz IEUVPSJCFOLHQH-UKRRQHHQSA-N 2 1 360.466 0.380 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767432 1258958760 /nfs/dbraw/zinc/95/87/60/1258958760.db2.gz BKLGFWNLJFHXKF-IAGOWNOFSA-N 2 1 368.522 0.165 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1 ZINC001106840553 1258974883 /nfs/dbraw/zinc/97/48/83/1258974883.db2.gz SROCJJVUCKDGIE-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106905144 1258993161 /nfs/dbraw/zinc/99/31/61/1258993161.db2.gz CADATUYJZKMREK-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106905395 1258993214 /nfs/dbraw/zinc/99/32/14/1258993214.db2.gz NMXALWCURWIMET-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106910935 1258994614 /nfs/dbraw/zinc/99/46/14/1258994614.db2.gz WERSCTRGNKNXKI-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnc3n2CCOC3)[C@H](C)C1 ZINC001106910236 1258994946 /nfs/dbraw/zinc/99/49/46/1258994946.db2.gz SWRTVTMHPDNNMK-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1 ZINC001107038950 1259022648 /nfs/dbraw/zinc/02/26/48/1259022648.db2.gz IAUHTHRMGVAHFI-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107609103 1259131949 /nfs/dbraw/zinc/13/19/49/1259131949.db2.gz CQNMIVJGEPGWDT-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107609103 1259131951 /nfs/dbraw/zinc/13/19/51/1259131951.db2.gz CQNMIVJGEPGWDT-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107609103 1259131954 /nfs/dbraw/zinc/13/19/54/1259131954.db2.gz CQNMIVJGEPGWDT-XAUMDUMWSA-N 2 1 362.518 0.968 20 0 FCADMP Cc1noc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107609295 1259132524 /nfs/dbraw/zinc/13/25/24/1259132524.db2.gz MRDMVTWBLOGBCV-CRAIPNDOSA-N 2 1 365.478 0.817 20 0 FCADMP Cc1noc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)n1 ZINC001107609295 1259132529 /nfs/dbraw/zinc/13/25/29/1259132529.db2.gz MRDMVTWBLOGBCV-CRAIPNDOSA-N 2 1 365.478 0.817 20 0 FCADMP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107633873 1259140016 /nfs/dbraw/zinc/14/00/16/1259140016.db2.gz FAQNRUSYWWYVHQ-VQIMIIECSA-N 2 1 363.506 0.468 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCOc2ccccc2)CC[N@H+]1C ZINC001127643738 1259183256 /nfs/dbraw/zinc/18/32/56/1259183256.db2.gz JKUMRIDWHLOQFA-NVXWUHKLSA-N 2 1 362.474 0.228 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)CC[N@H+]1C ZINC001128106673 1259193164 /nfs/dbraw/zinc/19/31/64/1259193164.db2.gz BTNSANZBGRPKJG-HYVNUMGLSA-N 2 1 361.490 0.199 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129065292 1259303045 /nfs/dbraw/zinc/30/30/45/1259303045.db2.gz UJROWFHVBXNZRL-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129065292 1259303052 /nfs/dbraw/zinc/30/30/52/1259303052.db2.gz UJROWFHVBXNZRL-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129065292 1259303057 /nfs/dbraw/zinc/30/30/57/1259303057.db2.gz UJROWFHVBXNZRL-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129065292 1259303063 /nfs/dbraw/zinc/30/30/63/1259303063.db2.gz UJROWFHVBXNZRL-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001129094064 1259313540 /nfs/dbraw/zinc/31/35/40/1259313540.db2.gz YEXDYHYNXKWMOT-SJORKVTESA-N 2 1 369.429 0.618 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103555 1259314696 /nfs/dbraw/zinc/31/46/96/1259314696.db2.gz MKVYSKZZRHINLT-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103555 1259314704 /nfs/dbraw/zinc/31/47/04/1259314704.db2.gz MKVYSKZZRHINLT-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204800 1259343571 /nfs/dbraw/zinc/34/35/71/1259343571.db2.gz KEQSTPFPDNEJDM-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129205608 1259345443 /nfs/dbraw/zinc/34/54/43/1259345443.db2.gz XWIRALBYYWVTPC-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129205608 1259345448 /nfs/dbraw/zinc/34/54/48/1259345448.db2.gz XWIRALBYYWVTPC-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537638 1259416354 /nfs/dbraw/zinc/41/63/54/1259416354.db2.gz SGKKRINWDPYMQA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295334 1259455028 /nfs/dbraw/zinc/45/50/28/1259455028.db2.gz IQSUWUVTLAPFBP-IAGOWNOFSA-N 2 1 367.494 0.300 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212353178 1259470791 /nfs/dbraw/zinc/47/07/91/1259470791.db2.gz LDFDBVQAISEKBS-BRWVUGGUSA-N 2 1 369.485 0.458 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418563 1259497475 /nfs/dbraw/zinc/49/74/75/1259497475.db2.gz JHXDDRLYGHDCRT-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418563 1259497477 /nfs/dbraw/zinc/49/74/77/1259497477.db2.gz JHXDDRLYGHDCRT-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418563 1259497480 /nfs/dbraw/zinc/49/74/80/1259497480.db2.gz JHXDDRLYGHDCRT-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC)[NH+](C)C ZINC001212461365 1259514981 /nfs/dbraw/zinc/51/49/81/1259514981.db2.gz WOWOIUCMYJEPIU-BRWVUGGUSA-N 2 1 363.506 0.803 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC)[NH+](C)C ZINC001212461365 1259514985 /nfs/dbraw/zinc/51/49/85/1259514985.db2.gz WOWOIUCMYJEPIU-BRWVUGGUSA-N 2 1 363.506 0.803 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544217 1259535481 /nfs/dbraw/zinc/53/54/81/1259535481.db2.gz KZHKWZFZUUXAFP-FRFSOERESA-N 2 1 361.490 0.717 20 0 FCADMP CCOC(=O)c1ccc(CCC[NH+]2CCNCC[NH2+]CCNCC2)cc1 ZINC001235871787 1259583840 /nfs/dbraw/zinc/58/38/40/1259583840.db2.gz XEQNRZFBRSOLNH-UHFFFAOYSA-N 2 1 362.518 0.880 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3ncnc4c3C[NH2+]CC4)cc2)CC1 ZINC001242093513 1259633198 /nfs/dbraw/zinc/63/31/98/1259633198.db2.gz DLYLRSBWQZTJOJ-UHFFFAOYSA-N 2 1 352.442 0.682 20 0 FCADMP O[C@@]1(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981013 1259641950 /nfs/dbraw/zinc/64/19/50/1259641950.db2.gz PKFZBNLENLLTBG-FPOVZHCZSA-N 3 1 358.530 0.802 20 0 FCADMP O[C@@]1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981013 1259641956 /nfs/dbraw/zinc/64/19/56/1259641956.db2.gz PKFZBNLENLLTBG-FPOVZHCZSA-N 4 1 358.530 0.802 20 0 FCADMP O[C@@]1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981013 1259641965 /nfs/dbraw/zinc/64/19/65/1259641965.db2.gz PKFZBNLENLLTBG-FPOVZHCZSA-N 4 1 358.530 0.802 20 0 FCADMP [NH3+]CCCC[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CCCC1 ZINC001246020863 1259644357 /nfs/dbraw/zinc/64/43/57/1259644357.db2.gz QLJWTQPVFCLXHQ-GBESFXJTSA-N 3 1 362.518 0.627 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130047 1259648145 /nfs/dbraw/zinc/64/81/45/1259648145.db2.gz RJUDIMRHDKWBFK-KGLIPLIRSA-N 2 1 362.478 0.334 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@]4(C3)C[NH2+]CCOC4)C[C@H](C1)N2 ZINC001246147305 1259648191 /nfs/dbraw/zinc/64/81/91/1259648191.db2.gz XOPQFYHVKARHLE-FNINWESVSA-N 2 1 367.490 0.043 20 0 FCADMP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246156747 1259650355 /nfs/dbraw/zinc/65/03/55/1259650355.db2.gz LLLSOQVGEOYOCT-SJORKVTESA-N 2 1 358.486 0.670 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246622131 1259656374 /nfs/dbraw/zinc/65/63/74/1259656374.db2.gz GSOMTSSLBJRKLV-GOSISDBHSA-N 2 1 367.490 0.679 20 0 FCADMP COc1cccc(C(=O)N2CCC([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC001246645320 1259656750 /nfs/dbraw/zinc/65/67/50/1259656750.db2.gz UGQRPVKKQOLQTF-FQEVSTJZSA-N 2 1 358.486 0.937 20 0 FCADMP COc1cccc(C(=O)N2CCC([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC001246645320 1259656763 /nfs/dbraw/zinc/65/67/63/1259656763.db2.gz UGQRPVKKQOLQTF-FQEVSTJZSA-N 2 1 358.486 0.937 20 0 FCADMP COc1ccc(C(=O)N2CCC([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246639219 1259658083 /nfs/dbraw/zinc/65/80/83/1259658083.db2.gz VEJCELIWVAMRDJ-HXUWFJFHSA-N 2 1 358.486 0.937 20 0 FCADMP COc1ccc(C(=O)N2CCC([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246639219 1259658091 /nfs/dbraw/zinc/65/80/91/1259658091.db2.gz VEJCELIWVAMRDJ-HXUWFJFHSA-N 2 1 358.486 0.937 20 0 FCADMP c1cncc(N2CCC[C@@]3(C2)C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709145 1259666105 /nfs/dbraw/zinc/66/61/05/1259666105.db2.gz SDVYSRVBGUIOGA-FXAWDEMLSA-N 2 1 357.502 0.847 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335448857 1259667815 /nfs/dbraw/zinc/66/78/15/1259667815.db2.gz RBYXHUAYAKKKCY-KRWDZBQOSA-N 2 1 365.522 0.224 20 0 FCADMP c1cnn(C[C@@H]2CC[C@]3(COCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726764 1259671268 /nfs/dbraw/zinc/67/12/68/1259671268.db2.gz TZFZNDSWBGJADR-LNLFQRSKSA-N 2 1 361.490 0.227 20 0 FCADMP CC[C@H]1[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246733621 1259671988 /nfs/dbraw/zinc/67/19/88/1259671988.db2.gz LHUVMFJNKUOAQA-QKLQHJQFSA-N 2 1 364.534 0.962 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732781 1259673263 /nfs/dbraw/zinc/67/32/63/1259673263.db2.gz HZQJCHZCYPCSMR-SYNHAJSKSA-N 2 1 371.485 0.862 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246732781 1259673270 /nfs/dbraw/zinc/67/32/70/1259673270.db2.gz HZQJCHZCYPCSMR-SYNHAJSKSA-N 2 1 371.485 0.862 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738838 1259674078 /nfs/dbraw/zinc/67/40/78/1259674078.db2.gz OPJDZGKJAZAOLN-YYAJDYIMSA-N 2 1 358.490 0.634 20 0 FCADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744464 1259676359 /nfs/dbraw/zinc/67/63/59/1259676359.db2.gz MWKSYHJKNWEQSM-KRWDZBQOSA-N 3 1 358.534 0.821 20 0 FCADMP c1nc2n(c1CN1CCCCC1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744464 1259676367 /nfs/dbraw/zinc/67/63/67/1259676367.db2.gz MWKSYHJKNWEQSM-KRWDZBQOSA-N 2 1 358.534 0.821 20 0 FCADMP c1nc2n(c1CN1CCCCC1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246744464 1259676373 /nfs/dbraw/zinc/67/63/73/1259676373.db2.gz MWKSYHJKNWEQSM-KRWDZBQOSA-N 2 1 358.534 0.821 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745171 1259676660 /nfs/dbraw/zinc/67/66/60/1259676660.db2.gz MQYPUTBDAMGKGK-TVKQPGBESA-N 2 1 372.517 0.976 20 0 FCADMP O=C([C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745361 1259678314 /nfs/dbraw/zinc/67/83/14/1259678314.db2.gz HBXCHCPYGRGWIS-IRXDYDNUSA-N 2 1 362.518 0.431 20 0 FCADMP CN(C)C(=O)[C@]12C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744805 1259678537 /nfs/dbraw/zinc/67/85/37/1259678537.db2.gz LTTNGVJLRJGOJO-GPMSIDNRSA-N 2 1 358.490 0.588 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748139 1259679853 /nfs/dbraw/zinc/67/98/53/1259679853.db2.gz AOXJSTJGMUTZCG-QRIFCXAISA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748139 1259679864 /nfs/dbraw/zinc/67/98/64/1259679864.db2.gz AOXJSTJGMUTZCG-QRIFCXAISA-N 2 1 361.490 0.627 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C[NH2+]1 ZINC001246748194 1259680303 /nfs/dbraw/zinc/68/03/03/1259680303.db2.gz BHWXAKVULQEQOQ-SJORKVTESA-N 2 1 361.490 0.754 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C[NH2+]1 ZINC001246748194 1259680311 /nfs/dbraw/zinc/68/03/11/1259680311.db2.gz BHWXAKVULQEQOQ-SJORKVTESA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762722 1259683379 /nfs/dbraw/zinc/68/33/79/1259683379.db2.gz XVSSSFOPIHDRIE-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C[NH2+]1 ZINC001246762722 1259683390 /nfs/dbraw/zinc/68/33/90/1259683390.db2.gz XVSSSFOPIHDRIE-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766037 1259683492 /nfs/dbraw/zinc/68/34/92/1259683492.db2.gz OKCVTUGVPPAAOI-OXQOHEQNSA-N 2 1 374.485 0.681 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762410 1259683819 /nfs/dbraw/zinc/68/38/19/1259683819.db2.gz BWMIJNFUNUYLJF-QKGUJMCYSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762410 1259683829 /nfs/dbraw/zinc/68/38/29/1259683829.db2.gz BWMIJNFUNUYLJF-QKGUJMCYSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762562 1259685120 /nfs/dbraw/zinc/68/51/20/1259685120.db2.gz CRKOVUBSJOZCQY-VGAPYMQISA-N 2 1 361.490 0.627 20 0 FCADMP c1cnc(N2CCOC[C@@]3(CCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769751 1259686690 /nfs/dbraw/zinc/68/66/90/1259686690.db2.gz XZDLKLOCNPYQAD-IEBWSBKVSA-N 2 1 372.517 0.489 20 0 FCADMP c1cnc(N2CCOC[C@]3(CCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769753 1259687663 /nfs/dbraw/zinc/68/76/63/1259687663.db2.gz XZDLKLOCNPYQAD-MJGOQNOKSA-N 2 1 372.517 0.489 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851431 1259690512 /nfs/dbraw/zinc/69/05/12/1259690512.db2.gz GBYXZTUWRXVYGR-LPMFXHHGSA-N 2 1 374.489 0.416 20 0 FCADMP O=C1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246819713 1259690636 /nfs/dbraw/zinc/69/06/36/1259690636.db2.gz HZJRIDIWROBIDI-LJQANCHMSA-N 2 1 359.518 0.262 20 0 FCADMP COc1ccc(CN2C(=O)N[C@]3(CC[N@@H+](C4CC[NH2+]CC4)C3)C2=O)cc1 ZINC001246896059 1259694222 /nfs/dbraw/zinc/69/42/22/1259694222.db2.gz SDOJAUXAEIDZAV-IBGZPJMESA-N 2 1 358.442 0.944 20 0 FCADMP COc1ccc(CN2C(=O)N[C@]3(CC[N@H+](C4CC[NH2+]CC4)C3)C2=O)cc1 ZINC001246896059 1259694229 /nfs/dbraw/zinc/69/42/29/1259694229.db2.gz SDOJAUXAEIDZAV-IBGZPJMESA-N 2 1 358.442 0.944 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939248 1259694456 /nfs/dbraw/zinc/69/44/56/1259694456.db2.gz AGCRGRAUWAJJOB-LJQANCHMSA-N 3 1 365.566 0.104 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246939225 1259695073 /nfs/dbraw/zinc/69/50/73/1259695073.db2.gz AGCRGRAUWAJJOB-IBGZPJMESA-N 3 1 365.566 0.104 20 0 FCADMP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)n2)cc1 ZINC001247330971 1259699822 /nfs/dbraw/zinc/69/98/22/1259699822.db2.gz GGNTYHOSAFIWGW-HNNXBMFYSA-N 2 1 369.429 0.708 20 0 FCADMP C[NH+]1CCN(c2ccccc2-c2noc(CN3CC[NH2+]CC3=O)n2)CC1 ZINC001247712081 1259705605 /nfs/dbraw/zinc/70/56/05/1259705605.db2.gz AKZHISCDUONMCV-UHFFFAOYSA-N 2 1 356.430 0.420 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637775 1259801124 /nfs/dbraw/zinc/80/11/24/1259801124.db2.gz UXDBIXHFUCXLGL-ZIFCJYIRSA-N 2 1 368.474 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637775 1259801130 /nfs/dbraw/zinc/80/11/30/1259801130.db2.gz UXDBIXHFUCXLGL-ZIFCJYIRSA-N 2 1 368.474 0.826 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637775 1259801138 /nfs/dbraw/zinc/80/11/38/1259801138.db2.gz UXDBIXHFUCXLGL-ZIFCJYIRSA-N 2 1 368.474 0.826 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC2(O)CCOCC2)CC1 ZINC001252961438 1259816099 /nfs/dbraw/zinc/81/60/99/1259816099.db2.gz OWQBPOHFOWBPQK-QZTJIDSGSA-N 2 1 365.518 0.935 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253388985 1259838961 /nfs/dbraw/zinc/83/89/61/1259838961.db2.gz SDPZLOKLNBGZDF-QBPKDAKJSA-N 2 1 369.506 0.484 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001253408263 1259839548 /nfs/dbraw/zinc/83/95/48/1259839548.db2.gz ANQPADOJAKQHOQ-AWEZNQCLSA-N 2 1 372.510 0.404 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253652460 1259848197 /nfs/dbraw/zinc/84/81/97/1259848197.db2.gz CJZJECMJYJVELB-LJQANCHMSA-N 2 1 363.458 0.235 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001255026141 1259903430 /nfs/dbraw/zinc/90/34/30/1259903430.db2.gz PKRDLXAPIQCMNG-UHFFFAOYSA-N 2 1 363.506 0.552 20 0 FCADMP CCOC(=O)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491710 1260053906 /nfs/dbraw/zinc/05/39/06/1260053906.db2.gz LNRFXWJADOIMJK-BRWVUGGUSA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491710 1260053915 /nfs/dbraw/zinc/05/39/15/1260053915.db2.gz LNRFXWJADOIMJK-BRWVUGGUSA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491710 1260053922 /nfs/dbraw/zinc/05/39/22/1260053922.db2.gz LNRFXWJADOIMJK-BRWVUGGUSA-N 2 1 369.506 0.829 20 0 FCADMP CCC[NH+]1CCC(N2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001258773829 1260056771 /nfs/dbraw/zinc/05/67/71/1260056771.db2.gz PJJHATSLFBOSOZ-IEBWSBKVSA-N 2 1 366.550 0.972 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273837 1260063684 /nfs/dbraw/zinc/06/36/84/1260063684.db2.gz VFPKWXWNOBKXEE-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP O=C(CNC[C@@H](O)C[NH+]1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001336752178 1260214961 /nfs/dbraw/zinc/21/49/61/1260214961.db2.gz WNFLTHPGNKLYKP-LJQANCHMSA-N 2 1 360.502 0.377 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001336793678 1260224894 /nfs/dbraw/zinc/22/48/94/1260224894.db2.gz FOFVLRYMQDXWHA-LJQANCHMSA-N 2 1 360.458 0.798 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262046425 1260250692 /nfs/dbraw/zinc/25/06/92/1260250692.db2.gz QIQMFLBUPHMTFK-GUDVDZBRSA-N 2 1 366.550 0.925 20 0 FCADMP Cc1c(C(=O)NCCN2CCC3(C2)OCCO3)cnn1-c1cc[nH+]cc1 ZINC001262152186 1260271446 /nfs/dbraw/zinc/27/14/46/1260271446.db2.gz KKYLUNDQCNRFSL-UHFFFAOYSA-N 2 1 357.414 0.754 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC001336990773 1260278085 /nfs/dbraw/zinc/27/80/85/1260278085.db2.gz PAMYPEZRCYKIFG-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574002 1260328890 /nfs/dbraw/zinc/32/88/90/1260328890.db2.gz ILPZQXVWIYQASK-PBHICJAKSA-N 2 1 371.428 0.767 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC001262573056 1260329627 /nfs/dbraw/zinc/32/96/27/1260329627.db2.gz LCWJKRVHABYYBI-HXUWFJFHSA-N 2 1 372.469 0.164 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001262573056 1260329630 /nfs/dbraw/zinc/32/96/30/1260329630.db2.gz LCWJKRVHABYYBI-HXUWFJFHSA-N 2 1 372.469 0.164 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099593 1260339694 /nfs/dbraw/zinc/33/96/94/1260339694.db2.gz OMAFIXOHUAIROP-CJNGLKHVSA-N 2 1 362.478 0.047 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099593 1260339702 /nfs/dbraw/zinc/33/97/02/1260339702.db2.gz OMAFIXOHUAIROP-CJNGLKHVSA-N 2 1 362.478 0.047 20 0 FCADMP C[C@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC001263102723 1260342461 /nfs/dbraw/zinc/34/24/61/1260342461.db2.gz CBZOFHBFGNMESP-XLIONFOSSA-N 2 1 360.502 0.818 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264654286 1260395454 /nfs/dbraw/zinc/39/54/54/1260395454.db2.gz GISIQDVYQGAYTE-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264654286 1260395462 /nfs/dbraw/zinc/39/54/62/1260395462.db2.gz GISIQDVYQGAYTE-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001264654286 1260395471 /nfs/dbraw/zinc/39/54/71/1260395471.db2.gz GISIQDVYQGAYTE-SJORKVTESA-N 2 1 367.538 0.816 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001337494617 1260415396 /nfs/dbraw/zinc/41/53/96/1260415396.db2.gz VOJHRDONSNYLCG-INIZCTEOSA-N 2 1 373.501 0.976 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272825131 1260511963 /nfs/dbraw/zinc/51/19/63/1260511963.db2.gz NJYVFVZUWTWRJU-DLBZAZTESA-N 2 1 360.502 0.626 20 0 FCADMP COCC(COC)[NH+]1CCN(c2nnc([C@@H]3CCCN3C)n2C)CC1 ZINC001338152699 1260573776 /nfs/dbraw/zinc/57/37/76/1260573776.db2.gz KJLZMBUBMYAMDB-HNNXBMFYSA-N 2 1 352.483 0.365 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]nc4c3CCC4)C2)C1=O ZINC001277726628 1260663478 /nfs/dbraw/zinc/66/34/78/1260663478.db2.gz RKGQKMBMVGKMSA-LJQANCHMSA-N 2 1 359.474 0.801 20 0 FCADMP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001278488942 1260700120 /nfs/dbraw/zinc/70/01/20/1260700120.db2.gz XXMMEOAVZLEPGU-HOTGVXAUSA-N 2 1 355.446 0.345 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOCC1)C2 ZINC001279247215 1260811248 /nfs/dbraw/zinc/81/12/48/1260811248.db2.gz RMTWHLKIGAVNGK-FHWLQOOXSA-N 2 1 362.518 0.336 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOCC1)C2 ZINC001279247215 1260811251 /nfs/dbraw/zinc/81/12/51/1260811251.db2.gz RMTWHLKIGAVNGK-FHWLQOOXSA-N 2 1 362.518 0.336 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cncnc4)CC3)[C@H]2C1 ZINC001279398411 1260859385 /nfs/dbraw/zinc/85/93/85/1260859385.db2.gz KNUQXRPGLKNQFV-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cncnc4)CC3)[C@H]2C1 ZINC001279398411 1260859391 /nfs/dbraw/zinc/85/93/91/1260859391.db2.gz KNUQXRPGLKNQFV-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502261 1260880681 /nfs/dbraw/zinc/88/06/81/1260880681.db2.gz PFWNQRJDIGARLK-IKGGRYGDSA-N 2 1 359.474 0.260 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502261 1260880685 /nfs/dbraw/zinc/88/06/85/1260880685.db2.gz PFWNQRJDIGARLK-IKGGRYGDSA-N 2 1 359.474 0.260 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502261 1260880687 /nfs/dbraw/zinc/88/06/87/1260880687.db2.gz PFWNQRJDIGARLK-IKGGRYGDSA-N 2 1 359.474 0.260 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502261 1260880689 /nfs/dbraw/zinc/88/06/89/1260880689.db2.gz PFWNQRJDIGARLK-IKGGRYGDSA-N 2 1 359.474 0.260 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501291 1260880901 /nfs/dbraw/zinc/88/09/01/1260880901.db2.gz DWNSKUKCJOOBMG-IXDOHACOSA-N 2 1 359.474 0.118 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501291 1260880906 /nfs/dbraw/zinc/88/09/06/1260880906.db2.gz DWNSKUKCJOOBMG-IXDOHACOSA-N 2 1 359.474 0.118 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501291 1260880912 /nfs/dbraw/zinc/88/09/12/1260880912.db2.gz DWNSKUKCJOOBMG-IXDOHACOSA-N 2 1 359.474 0.118 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501291 1260880920 /nfs/dbraw/zinc/88/09/20/1260880920.db2.gz DWNSKUKCJOOBMG-IXDOHACOSA-N 2 1 359.474 0.118 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1CCC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279500954 1260881381 /nfs/dbraw/zinc/88/13/81/1260881381.db2.gz AARDFKGCMYDVTR-MRXNPFEDSA-N 2 1 358.486 0.875 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279500954 1260881384 /nfs/dbraw/zinc/88/13/84/1260881384.db2.gz AARDFKGCMYDVTR-MRXNPFEDSA-N 2 1 358.486 0.875 20 0 FCADMP Cn1c(=O)cccc1C(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279500954 1260881386 /nfs/dbraw/zinc/88/13/86/1260881386.db2.gz AARDFKGCMYDVTR-MRXNPFEDSA-N 2 1 358.486 0.875 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001279502456 1260881393 /nfs/dbraw/zinc/88/13/93/1260881393.db2.gz RFACBYSCYZNYAY-ZACQAIPSSA-N 2 1 360.506 0.941 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001279502456 1260881395 /nfs/dbraw/zinc/88/13/95/1260881395.db2.gz RFACBYSCYZNYAY-ZACQAIPSSA-N 2 1 360.506 0.941 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001279502456 1260881397 /nfs/dbraw/zinc/88/13/97/1260881397.db2.gz RFACBYSCYZNYAY-ZACQAIPSSA-N 2 1 360.506 0.941 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCOC4)CC3)[C@H]2C1 ZINC001279617954 1260900654 /nfs/dbraw/zinc/90/06/54/1260900654.db2.gz NKNNPMNXAICUJJ-SQNIBIBYSA-N 2 1 364.534 0.487 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001279618726 1260902295 /nfs/dbraw/zinc/90/22/95/1260902295.db2.gz ZLZUKANLZWSXTH-VJANTYMQSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001279618726 1260902297 /nfs/dbraw/zinc/90/22/97/1260902297.db2.gz ZLZUKANLZWSXTH-VJANTYMQSA-N 2 1 363.502 0.809 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccccc3-n3cncn3)C[C@H]21 ZINC001279713326 1260919397 /nfs/dbraw/zinc/91/93/97/1260919397.db2.gz STDJZBFKSBNTGK-MOPGFXCFSA-N 2 1 356.474 0.714 20 0 FCADMP COCC[N@@H+]1CCn2c(nnc2C(=O)N2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC001279721394 1260921522 /nfs/dbraw/zinc/92/15/22/1260921522.db2.gz CIDANECKNBTTLL-AWEZNQCLSA-N 2 1 364.494 0.337 20 0 FCADMP COCC[N@H+]1CCn2c(nnc2C(=O)N2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC001279721394 1260921526 /nfs/dbraw/zinc/92/15/26/1260921526.db2.gz CIDANECKNBTTLL-AWEZNQCLSA-N 2 1 364.494 0.337 20 0 FCADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825942 1260938511 /nfs/dbraw/zinc/93/85/11/1260938511.db2.gz IBRDXCNQKVEZOI-LUYZLQTOSA-N 2 1 360.462 0.726 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@H+](Cc4cc[nH]n4)C[C@@H]3O2)CC1 ZINC001279916098 1260960148 /nfs/dbraw/zinc/96/01/48/1260960148.db2.gz OAFMNRSOFWXKKX-JLSDUUJJSA-N 2 1 361.490 0.942 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4cc[nH]n4)C[C@@H]3O2)CC1 ZINC001279916098 1260960159 /nfs/dbraw/zinc/96/01/59/1260960159.db2.gz OAFMNRSOFWXKKX-JLSDUUJJSA-N 2 1 361.490 0.942 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)CC1 ZINC001280124982 1261010929 /nfs/dbraw/zinc/01/09/29/1261010929.db2.gz CGSJAKBFBFOJPD-NXHRZFHOSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCc4cnc[nH]4)O[C@H]3C2)CC1 ZINC001280124982 1261010935 /nfs/dbraw/zinc/01/09/35/1261010935.db2.gz CGSJAKBFBFOJPD-NXHRZFHOSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@H](CC(=O)NCc4cnc[nH]4)O[C@H]3C2)CC1 ZINC001280124982 1261010939 /nfs/dbraw/zinc/01/09/39/1261010939.db2.gz CGSJAKBFBFOJPD-NXHRZFHOSA-N 2 1 361.490 0.847 20 0 FCADMP C[C@@H]1Cc2nnc(C(=O)N3CCCCO3)n2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001280134290 1261012413 /nfs/dbraw/zinc/01/24/13/1261012413.db2.gz BXHDPGPJMZJNRC-CQSZACIVSA-N 2 1 362.478 0.692 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2[nH]nc3c2CN(CC2CC[NH2+]CC2)C3)CC1 ZINC001280135566 1261013778 /nfs/dbraw/zinc/01/37/78/1261013778.db2.gz NQZOLOSIKBDCAT-UHFFFAOYSA-N 2 1 360.506 0.891 20 0 FCADMP CN(C)C(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@]12c1ccccc1NC2=O ZINC001280138372 1261014037 /nfs/dbraw/zinc/01/40/37/1261014037.db2.gz XHHGFTUUEIZORI-JXFKEZNVSA-N 2 1 356.470 0.896 20 0 FCADMP Cn1ccnc1NC(=O)C1=NO[C@@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H]12 ZINC001280139530 1261014273 /nfs/dbraw/zinc/01/42/73/1261014273.db2.gz BBDROABKESZTMF-LSDHHAIUSA-N 2 1 360.462 0.777 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280140497 1261014771 /nfs/dbraw/zinc/01/47/71/1261014771.db2.gz KSWAFDPWZDWHAK-APWZRJJASA-N 2 1 358.490 0.817 20 0 FCADMP CN(C)C(=O)C1=NO[C@@H]2C[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]12 ZINC001280153890 1261016269 /nfs/dbraw/zinc/01/62/69/1261016269.db2.gz QPJSETPQTHDZED-DLBZAZTESA-N 2 1 360.458 0.902 20 0 FCADMP CN(C)C(=O)C1=NO[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]12 ZINC001280153890 1261016274 /nfs/dbraw/zinc/01/62/74/1261016274.db2.gz QPJSETPQTHDZED-DLBZAZTESA-N 2 1 360.458 0.902 20 0 FCADMP CC(C)(CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280189840 1261026123 /nfs/dbraw/zinc/02/61/23/1261026123.db2.gz ZXLOPQOOCKTDMZ-HOTGVXAUSA-N 2 1 361.490 0.441 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)CC1 ZINC001281967168 1261312955 /nfs/dbraw/zinc/31/29/55/1261312955.db2.gz DVUCELGMPCWCDI-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001332432347 1266402585 /nfs/dbraw/zinc/40/25/85/1266402585.db2.gz VDGRDTYCYKSXHE-ZNMIVQPWSA-N 2 1 374.489 0.207 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533795 1261472808 /nfs/dbraw/zinc/47/28/08/1261472808.db2.gz BKYGIDMPBVNDBL-FUHWJXTLSA-N 2 1 371.485 0.673 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001332512490 1266420805 /nfs/dbraw/zinc/42/08/05/1266420805.db2.gz YGCPTHKTZQBHAP-MRXNPFEDSA-N 2 1 363.510 0.849 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC1 ZINC001345130948 1261638777 /nfs/dbraw/zinc/63/87/77/1261638777.db2.gz GINCJKIXYQVNMV-IKGGRYGDSA-N 2 1 362.518 0.587 20 0 FCADMP CCN(CCNC(=O)c1cc(C[NH+](C)C)on1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284626574 1261772684 /nfs/dbraw/zinc/77/26/84/1261772684.db2.gz GGIWYYHLTRRZNZ-UKRRQHHQSA-N 2 1 365.478 0.655 20 0 FCADMP CCN(CCNC(=O)c1cc(C[NH+](C)C)on1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284626574 1261772691 /nfs/dbraw/zinc/77/26/91/1261772691.db2.gz GGIWYYHLTRRZNZ-UKRRQHHQSA-N 2 1 365.478 0.655 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001289095881 1262104200 /nfs/dbraw/zinc/10/42/00/1262104200.db2.gz JXAQMJXJNQXQEE-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696610 1262312323 /nfs/dbraw/zinc/31/23/23/1262312323.db2.gz PGUQDZWYEVOXDW-SJORKVTESA-N 2 1 368.522 0.282 20 0 FCADMP [NH3+][C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001580369314 1278177479 /nfs/dbraw/zinc/17/74/79/1278177479.db2.gz XHRWWAVWJZGGJZ-MOPGFXCFSA-N 2 1 354.454 0.834 20 0 FCADMP O=C(N1CC([NH2+]C2CCOCC2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001303646503 1263111372 /nfs/dbraw/zinc/11/13/72/1263111372.db2.gz OPGDJZPTYKIYEP-OAQYLSRUSA-N 2 1 373.497 0.993 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(NC3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208988 1263136272 /nfs/dbraw/zinc/13/62/72/1263136272.db2.gz RVLGOHLULFGGAJ-QZTJIDSGSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208988 1263136275 /nfs/dbraw/zinc/13/62/75/1263136275.db2.gz RVLGOHLULFGGAJ-QZTJIDSGSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC001304208988 1263136278 /nfs/dbraw/zinc/13/62/78/1263136278.db2.gz RVLGOHLULFGGAJ-QZTJIDSGSA-N 2 1 361.490 0.433 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1)[NH+](C)C ZINC001479426182 1263194391 /nfs/dbraw/zinc/19/43/91/1263194391.db2.gz ZYSWBOGJCGIWAF-KSZLIROESA-N 2 1 360.502 0.999 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1)[NH+](C)C ZINC001479426182 1263194396 /nfs/dbraw/zinc/19/43/96/1263194396.db2.gz ZYSWBOGJCGIWAF-KSZLIROESA-N 2 1 360.502 0.999 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001310360306 1263231540 /nfs/dbraw/zinc/23/15/40/1263231540.db2.gz ZKQYXZRMCTZCID-ZDUSSCGKSA-N 2 1 363.462 0.377 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001310360306 1263231550 /nfs/dbraw/zinc/23/15/50/1263231550.db2.gz ZKQYXZRMCTZCID-ZDUSSCGKSA-N 2 1 363.462 0.377 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001479579043 1263262168 /nfs/dbraw/zinc/26/21/68/1263262168.db2.gz RMOJMXRBJCOJHR-KFWWJZLASA-N 2 1 369.510 0.518 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758240 1263463338 /nfs/dbraw/zinc/46/33/38/1263463338.db2.gz SMFJEOPCCQXWCR-FGTMMUONSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758240 1263463343 /nfs/dbraw/zinc/46/33/43/1263463343.db2.gz SMFJEOPCCQXWCR-FGTMMUONSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001316758240 1263463347 /nfs/dbraw/zinc/46/33/47/1263463347.db2.gz SMFJEOPCCQXWCR-FGTMMUONSA-N 2 1 363.506 0.366 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318662281 1263597755 /nfs/dbraw/zinc/59/77/55/1263597755.db2.gz RYAHRUNMUISPBR-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318662281 1263597757 /nfs/dbraw/zinc/59/77/57/1263597757.db2.gz RYAHRUNMUISPBR-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318662281 1263597764 /nfs/dbraw/zinc/59/77/64/1263597764.db2.gz RYAHRUNMUISPBR-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CNC(=O)c1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC001319145192 1263657363 /nfs/dbraw/zinc/65/73/63/1263657363.db2.gz CQNPLTZLPXNTJB-UHFFFAOYSA-N 2 1 354.414 0.840 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320934396 1263884847 /nfs/dbraw/zinc/88/48/47/1263884847.db2.gz CDRBYUNSJHFECJ-KRWDZBQOSA-N 2 1 368.441 0.822 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC001321348432 1263940517 /nfs/dbraw/zinc/94/05/17/1263940517.db2.gz JDFVDOSHMFXCKN-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001322406858 1264190268 /nfs/dbraw/zinc/19/02/68/1264190268.db2.gz QCWUZWGZPZRLLM-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001322406856 1264190828 /nfs/dbraw/zinc/19/08/28/1264190828.db2.gz QCWUZWGZPZRLLM-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580400558 1278226051 /nfs/dbraw/zinc/22/60/51/1278226051.db2.gz FBQCUAMMPFREHD-DGCLKSJQSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001323389748 1264418177 /nfs/dbraw/zinc/41/81/77/1264418177.db2.gz XSRSQDQPEVWPFK-OIISXLGYSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001324171174 1264589309 /nfs/dbraw/zinc/58/93/09/1264589309.db2.gz NNRUBCQPMGYYHW-DLBZAZTESA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001324171174 1264589313 /nfs/dbraw/zinc/58/93/13/1264589313.db2.gz NNRUBCQPMGYYHW-DLBZAZTESA-N 2 1 361.490 0.277 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001324268099 1264608049 /nfs/dbraw/zinc/60/80/49/1264608049.db2.gz NAQBAXNZDYHLHO-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001326036684 1265049791 /nfs/dbraw/zinc/04/97/91/1265049791.db2.gz TWUVOPIBOZBWGO-KZNAEPCWSA-N 2 1 362.518 0.921 20 0 FCADMP COC(=O)c1ccc(N2CCN(CC(=O)N3CCNCC3)[C@@H](C)C2)cc1 ZINC001326278059 1265091738 /nfs/dbraw/zinc/09/17/38/1265091738.db2.gz RCZVZYPOCUNKPH-HNNXBMFYSA-N 2 1 360.458 0.416 20 0 FCADMP C[NH+]1CCN(c2ccccc2CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001326727601 1265159601 /nfs/dbraw/zinc/15/96/01/1265159601.db2.gz DZNFSOVWJHOBIX-GOSISDBHSA-N 2 1 373.501 0.399 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC001326968106 1265209468 /nfs/dbraw/zinc/20/94/68/1265209468.db2.gz JUFBPFMVJSCKEJ-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]21 ZINC001514020294 1265315301 /nfs/dbraw/zinc/31/53/01/1265315301.db2.gz KYUSRFDXIRTVSD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001514020294 1265315306 /nfs/dbraw/zinc/31/53/06/1265315306.db2.gz KYUSRFDXIRTVSD-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(C)(O)CC3)C2)CC1 ZINC001332743980 1266470868 /nfs/dbraw/zinc/47/08/68/1266470868.db2.gz IQLIUXJUVPYPFW-XAUUPUKJSA-N 2 1 366.506 0.081 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC001333263860 1266566960 /nfs/dbraw/zinc/56/69/60/1266566960.db2.gz ZXEBCADPKZNPNG-QUCCMNQESA-N 2 1 372.513 0.786 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)C1 ZINC001333635449 1266659762 /nfs/dbraw/zinc/65/97/62/1266659762.db2.gz HZKDIUPUDZRYFU-INIZCTEOSA-N 2 1 361.494 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2CCCC[NH+]2C)C2CC2)CC[N@H+]1C ZINC001529775248 1267075283 /nfs/dbraw/zinc/07/52/83/1267075283.db2.gz NRVTZBZHYQIHHY-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)CC[NH+]1C ZINC001529775248 1267075295 /nfs/dbraw/zinc/07/52/95/1267075295.db2.gz NRVTZBZHYQIHHY-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)CC[NH+]1C ZINC001529775248 1267075302 /nfs/dbraw/zinc/07/53/02/1267075302.db2.gz NRVTZBZHYQIHHY-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC001542656303 1267502777 /nfs/dbraw/zinc/50/27/77/1267502777.db2.gz ZFYVNFIUVHXKAL-KRWDZBQOSA-N 2 1 359.474 0.698 20 0 FCADMP Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001543331559 1267543524 /nfs/dbraw/zinc/54/35/24/1267543524.db2.gz UHEKQXKLXGFNME-SFHVURJKSA-N 2 1 366.510 0.200 20 0 FCADMP Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001543331559 1267543528 /nfs/dbraw/zinc/54/35/28/1267543528.db2.gz UHEKQXKLXGFNME-SFHVURJKSA-N 2 1 366.510 0.200 20 0 FCADMP CCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546534072 1267654564 /nfs/dbraw/zinc/65/45/64/1267654564.db2.gz PTCQUWUWIYFQRD-LJQANCHMSA-N 2 1 362.522 0.972 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001548479472 1267722845 /nfs/dbraw/zinc/72/28/45/1267722845.db2.gz RDSIEJZLHQDUBQ-RBUKOAKNSA-N 2 1 374.533 0.914 20 0 FCADMP O=C(CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)N1CC[NH2+]CC1 ZINC001549044010 1267793770 /nfs/dbraw/zinc/79/37/70/1267793770.db2.gz UYNIMGMMACPJCT-GOSISDBHSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)N1CC[NH2+]CC1 ZINC001549044010 1267793777 /nfs/dbraw/zinc/79/37/77/1267793777.db2.gz UYNIMGMMACPJCT-GOSISDBHSA-N 2 1 356.470 0.514 20 0 FCADMP CC(C)(C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH2+]CC1 ZINC001549300452 1267896682 /nfs/dbraw/zinc/89/66/82/1267896682.db2.gz KNVSOZUKICBNQY-HOTGVXAUSA-N 2 1 350.507 0.430 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549364195 1267910567 /nfs/dbraw/zinc/91/05/67/1267910567.db2.gz IDTILQJGSXMHJG-NXOAAHMSSA-N 2 1 364.490 0.090 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549364195 1267910570 /nfs/dbraw/zinc/91/05/70/1267910570.db2.gz IDTILQJGSXMHJG-NXOAAHMSSA-N 2 1 364.490 0.090 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)n1 ZINC001549483981 1267924792 /nfs/dbraw/zinc/92/47/92/1267924792.db2.gz HSKRKOHETDYKCX-DLBZAZTESA-N 2 1 361.490 0.818 20 0 FCADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464271 1267949619 /nfs/dbraw/zinc/94/96/19/1267949619.db2.gz CBWZVLLUTJYJRX-IPMKNSEASA-N 2 1 350.459 0.115 20 0 FCADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464271 1267949627 /nfs/dbraw/zinc/94/96/27/1267949627.db2.gz CBWZVLLUTJYJRX-IPMKNSEASA-N 2 1 350.459 0.115 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1)[NH+]1CCOCC1 ZINC001549733809 1267980962 /nfs/dbraw/zinc/98/09/62/1267980962.db2.gz BQXBEHVRCLBXTM-LZLYRXPVSA-N 2 1 363.506 0.810 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC001338685313 1268041541 /nfs/dbraw/zinc/04/15/41/1268041541.db2.gz YFQORNBAFXLHNC-MRXNPFEDSA-N 2 1 360.462 0.253 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001550478843 1268124685 /nfs/dbraw/zinc/12/46/85/1268124685.db2.gz XVXPPYQPEMUHRZ-ZMMAXQRCSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)[C@@H](O)C2 ZINC001550480922 1268125634 /nfs/dbraw/zinc/12/56/34/1268125634.db2.gz VAULERSZFAFKDS-GJGATLCTSA-N 2 1 353.507 0.551 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H](O)C2 ZINC001550481748 1268125759 /nfs/dbraw/zinc/12/57/59/1268125759.db2.gz PBXUQPLEOHHGGQ-OREBXVKISA-N 2 1 352.523 0.218 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H](O)C2 ZINC001550481748 1268125765 /nfs/dbraw/zinc/12/57/65/1268125765.db2.gz PBXUQPLEOHHGGQ-OREBXVKISA-N 2 1 352.523 0.218 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482192 1268125864 /nfs/dbraw/zinc/12/58/64/1268125864.db2.gz YGKVXLPBKCBWEO-UMGGQSCQSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482192 1268125866 /nfs/dbraw/zinc/12/58/66/1268125866.db2.gz YGKVXLPBKCBWEO-UMGGQSCQSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550482192 1268125869 /nfs/dbraw/zinc/12/58/69/1268125869.db2.gz YGKVXLPBKCBWEO-UMGGQSCQSA-N 2 1 366.550 0.610 20 0 FCADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550481434 1268126442 /nfs/dbraw/zinc/12/64/42/1268126442.db2.gz IGOFEGOLZFEYNL-JFRXWTBNSA-N 2 1 352.523 0.220 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486176 1268127779 /nfs/dbraw/zinc/12/77/79/1268127779.db2.gz KENYMCKZBHEERW-QFIAKTPHSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486176 1268127781 /nfs/dbraw/zinc/12/77/81/1268127781.db2.gz KENYMCKZBHEERW-QFIAKTPHSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486176 1268127784 /nfs/dbraw/zinc/12/77/84/1268127784.db2.gz KENYMCKZBHEERW-QFIAKTPHSA-N 2 1 365.518 0.836 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539943 1268129228 /nfs/dbraw/zinc/12/92/28/1268129228.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001550539943 1268129231 /nfs/dbraw/zinc/12/92/31/1268129231.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001550539943 1268129239 /nfs/dbraw/zinc/12/92/39/1268129239.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 2 1 352.523 0.343 20 0 FCADMP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539812 1268129526 /nfs/dbraw/zinc/12/95/26/1268129526.db2.gz MHIJSNGRLMIADJ-JKSUJKDBSA-N 2 1 360.458 0.448 20 0 FCADMP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539812 1268129535 /nfs/dbraw/zinc/12/95/35/1268129535.db2.gz MHIJSNGRLMIADJ-JKSUJKDBSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539812 1268129541 /nfs/dbraw/zinc/12/95/41/1268129541.db2.gz MHIJSNGRLMIADJ-JKSUJKDBSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2C1 ZINC001550539812 1268129548 /nfs/dbraw/zinc/12/95/48/1268129548.db2.gz MHIJSNGRLMIADJ-JKSUJKDBSA-N 2 1 360.458 0.448 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)c1 ZINC001550542213 1268129942 /nfs/dbraw/zinc/12/99/42/1268129942.db2.gz NILXCULTLWKFLT-HZPDHXFCSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)c1 ZINC001550542213 1268129944 /nfs/dbraw/zinc/12/99/44/1268129944.db2.gz NILXCULTLWKFLT-HZPDHXFCSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC001550542213 1268129945 /nfs/dbraw/zinc/12/99/45/1268129945.db2.gz NILXCULTLWKFLT-HZPDHXFCSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC001550542213 1268129947 /nfs/dbraw/zinc/12/99/47/1268129947.db2.gz NILXCULTLWKFLT-HZPDHXFCSA-N 2 1 374.485 0.976 20 0 FCADMP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001550743529 1268160628 /nfs/dbraw/zinc/16/06/28/1268160628.db2.gz LVJKRVBFKYDDLS-LVQVYYBASA-N 2 1 352.479 0.387 20 0 FCADMP C[NH+]1CCCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339153244 1268177169 /nfs/dbraw/zinc/17/71/69/1268177169.db2.gz PDCCVSRQSADDHS-HZPDHXFCSA-N 2 1 370.563 0.921 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC001550977645 1268188297 /nfs/dbraw/zinc/18/82/97/1268188297.db2.gz NFQORMBIRPBWIX-GDBMZVCRSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001550977645 1268188303 /nfs/dbraw/zinc/18/83/03/1268188303.db2.gz NFQORMBIRPBWIX-GDBMZVCRSA-N 2 1 354.495 0.384 20 0 FCADMP CC(C)(O)C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001550977645 1268188307 /nfs/dbraw/zinc/18/83/07/1268188307.db2.gz NFQORMBIRPBWIX-GDBMZVCRSA-N 2 1 354.495 0.384 20 0 FCADMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([NH+]3CC[C@H](O)C3)C2)C1 ZINC001551228926 1268215695 /nfs/dbraw/zinc/21/56/95/1268215695.db2.gz QAIATJOEBFWJPM-WDSOQIARSA-N 2 1 358.486 0.792 20 0 FCADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([NH+]3CC[C@H](O)C3)C2)C1 ZINC001551228926 1268215708 /nfs/dbraw/zinc/21/57/08/1268215708.db2.gz QAIATJOEBFWJPM-WDSOQIARSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001551228926 1268215714 /nfs/dbraw/zinc/21/57/14/1268215714.db2.gz QAIATJOEBFWJPM-WDSOQIARSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([N@H+]3CC[C@H](O)C3)C2)C1 ZINC001551228926 1268215719 /nfs/dbraw/zinc/21/57/19/1268215719.db2.gz QAIATJOEBFWJPM-WDSOQIARSA-N 2 1 358.486 0.792 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464155 1268257013 /nfs/dbraw/zinc/25/70/13/1268257013.db2.gz CADGOOJMOOGVLN-CVEARBPZSA-N 2 1 354.495 0.555 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551558913 1268270195 /nfs/dbraw/zinc/27/01/95/1268270195.db2.gz FMICYOOFTQFFEE-RPVQJOFSSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551588770 1268279672 /nfs/dbraw/zinc/27/96/72/1268279672.db2.gz GJJMOOTUWMVDGE-ANRZDRKOSA-N 2 1 363.506 0.415 20 0 FCADMP CO[C@@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939481 1268315038 /nfs/dbraw/zinc/31/50/38/1268315038.db2.gz MVIUDVCQTAJWDK-LSDHHAIUSA-N 2 1 362.478 0.501 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@@H+]1C ZINC001551938422 1268315882 /nfs/dbraw/zinc/31/58/82/1268315882.db2.gz IYHFECHBMQHDHH-KBUPBQIOSA-N 2 1 362.478 0.499 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@H+]1C ZINC001551938422 1268315897 /nfs/dbraw/zinc/31/58/97/1268315897.db2.gz IYHFECHBMQHDHH-KBUPBQIOSA-N 2 1 362.478 0.499 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001552095459 1268372854 /nfs/dbraw/zinc/37/28/54/1268372854.db2.gz HIIJGEJXDPBHQM-BRWVUGGUSA-N 2 1 364.494 0.213 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552154518 1268395345 /nfs/dbraw/zinc/39/53/45/1268395345.db2.gz JCBUXMYUJHSKOM-KURKYZTESA-N 2 1 350.507 0.145 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552184383 1268405485 /nfs/dbraw/zinc/40/54/85/1268405485.db2.gz GEQGINCNPDCGAP-DNVCBOLYSA-N 2 1 365.522 0.747 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)c2cccs2)CC1 ZINC001552200315 1268407234 /nfs/dbraw/zinc/40/72/34/1268407234.db2.gz KSYWFIOHMGZJQW-HDMKZQKVSA-N 2 1 364.515 0.389 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)c1 ZINC001552200677 1268408079 /nfs/dbraw/zinc/40/80/79/1268408079.db2.gz UGJFAELOBFPYRQ-SIXWZSSISA-N 2 1 358.442 0.311 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)c1 ZINC001552200677 1268408082 /nfs/dbraw/zinc/40/80/82/1268408082.db2.gz UGJFAELOBFPYRQ-SIXWZSSISA-N 2 1 358.442 0.311 20 0 FCADMP C[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552208865 1268410261 /nfs/dbraw/zinc/41/02/61/1268410261.db2.gz WVWFWJRPBCWNJF-BRWVUGGUSA-N 2 1 368.522 0.990 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001552225482 1268416454 /nfs/dbraw/zinc/41/64/54/1268416454.db2.gz UPHLWCJUAIABCL-UGUYLWEFSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@@H](O)C[C@H]2C1 ZINC001552225482 1268416460 /nfs/dbraw/zinc/41/64/60/1268416460.db2.gz UPHLWCJUAIABCL-UGUYLWEFSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@@H](O)C[C@H]2C1 ZINC001552225482 1268416471 /nfs/dbraw/zinc/41/64/71/1268416471.db2.gz UPHLWCJUAIABCL-UGUYLWEFSA-N 2 1 362.478 0.089 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340111737 1268438640 /nfs/dbraw/zinc/43/86/40/1268438640.db2.gz HXVGLSUILHUETB-NRFANRHFSA-N 2 1 374.529 0.945 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001340120963 1268442414 /nfs/dbraw/zinc/44/24/14/1268442414.db2.gz MPZRFHXFFFKMMD-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC001552352611 1268448297 /nfs/dbraw/zinc/44/82/97/1268448297.db2.gz WFFWRUHNXFVBAF-LJQANCHMSA-N 2 1 359.518 0.978 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC001552352611 1268448300 /nfs/dbraw/zinc/44/83/00/1268448300.db2.gz WFFWRUHNXFVBAF-LJQANCHMSA-N 2 1 359.518 0.978 20 0 FCADMP Cc1c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552441825 1268465492 /nfs/dbraw/zinc/46/54/92/1268465492.db2.gz MFNFWGHWUQQQJA-AWEZNQCLSA-N 2 1 358.450 0.253 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001340334042 1268513415 /nfs/dbraw/zinc/51/34/15/1268513415.db2.gz PVKXJFQBDNDLEF-GXFFZTMASA-N 2 1 358.236 0.562 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552700847 1268523478 /nfs/dbraw/zinc/52/34/78/1268523478.db2.gz RUUOPDBACDVVGQ-HOCLYGCPSA-N 2 1 350.467 0.515 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552697870 1268523984 /nfs/dbraw/zinc/52/39/84/1268523984.db2.gz GJOYAMMGUNFTRX-MRXNPFEDSA-N 2 1 360.506 0.729 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)C1 ZINC001552706044 1268525054 /nfs/dbraw/zinc/52/50/54/1268525054.db2.gz BWBACXRZCKPMBU-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)C1 ZINC001552706044 1268525061 /nfs/dbraw/zinc/52/50/61/1268525061.db2.gz BWBACXRZCKPMBU-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC001552706044 1268525067 /nfs/dbraw/zinc/52/50/67/1268525067.db2.gz BWBACXRZCKPMBU-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001552706044 1268525072 /nfs/dbraw/zinc/52/50/72/1268525072.db2.gz BWBACXRZCKPMBU-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC001552705841 1268525395 /nfs/dbraw/zinc/52/53/95/1268525395.db2.gz BAGVROZLYGKUQD-KRWDZBQOSA-N 2 1 361.490 0.591 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC001552705841 1268525404 /nfs/dbraw/zinc/52/54/04/1268525404.db2.gz BAGVROZLYGKUQD-KRWDZBQOSA-N 2 1 361.490 0.591 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552724123 1268535304 /nfs/dbraw/zinc/53/53/04/1268535304.db2.gz YRTIFIMFQNRHFY-RHSMWYFYSA-N 2 1 363.506 0.789 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552724123 1268535318 /nfs/dbraw/zinc/53/53/18/1268535318.db2.gz YRTIFIMFQNRHFY-RHSMWYFYSA-N 2 1 363.506 0.789 20 0 FCADMP C[N@H+]1CCC[C@H]1CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001552899201 1268563801 /nfs/dbraw/zinc/56/38/01/1268563801.db2.gz SSYMBPKHABPAPE-INIZCTEOSA-N 2 1 365.522 0.986 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2CC[N@H+]2C2CC2)CC1 ZINC001552899850 1268564662 /nfs/dbraw/zinc/56/46/62/1268564662.db2.gz DXZWPSBGBCEXIQ-MRXNPFEDSA-N 2 1 363.506 0.739 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)ccn1 ZINC001552890671 1268564771 /nfs/dbraw/zinc/56/47/71/1268564771.db2.gz UGJJOINTYZQIHU-HOTGVXAUSA-N 2 1 358.450 0.754 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375556 1268638697 /nfs/dbraw/zinc/63/86/97/1268638697.db2.gz RQBKXJZRFYJQDQ-UTKZUKDTSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375545 1268638906 /nfs/dbraw/zinc/63/89/06/1268638906.db2.gz RQBKXJZRFYJQDQ-DYESRHJHSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553374526 1268639691 /nfs/dbraw/zinc/63/96/91/1268639691.db2.gz HEUNCOGGWIFONH-DYESRHJHSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553374526 1268639693 /nfs/dbraw/zinc/63/96/93/1268639693.db2.gz HEUNCOGGWIFONH-DYESRHJHSA-N 2 1 370.497 0.949 20 0 FCADMP Cc1ccc(C(=O)NCCNC(=O)[C@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cc1F ZINC001553383219 1268640422 /nfs/dbraw/zinc/64/04/22/1268640422.db2.gz LENPLDVSWDRVRV-DNVCBOLYSA-N 2 1 362.449 0.521 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405430 1268645583 /nfs/dbraw/zinc/64/55/83/1268645583.db2.gz CKBSUTZCSKLQCQ-IKGGRYGDSA-N 2 1 358.442 0.532 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)N1CC[NH+](C)CC1 ZINC001553415590 1268647610 /nfs/dbraw/zinc/64/76/10/1268647610.db2.gz AFGGPEYPINLVQF-DLBZAZTESA-N 2 1 367.538 0.326 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553430595 1268648488 /nfs/dbraw/zinc/64/84/88/1268648488.db2.gz BNIJKBMAVCSVHY-JKSUJKDBSA-N 2 1 365.522 0.618 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424740 1268648837 /nfs/dbraw/zinc/64/88/37/1268648837.db2.gz ZUHBIDJJNZBTDA-HOTGVXAUSA-N 2 1 354.495 0.411 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424742 1268648881 /nfs/dbraw/zinc/64/88/81/1268648881.db2.gz ZUHBIDJJNZBTDA-HZPDHXFCSA-N 2 1 354.495 0.411 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553431134 1268650026 /nfs/dbraw/zinc/65/00/26/1268650026.db2.gz CXMJOLZBQLKVGZ-KDOFPFPSSA-N 2 1 351.495 0.418 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC12CCOCC2 ZINC001553459766 1268654254 /nfs/dbraw/zinc/65/42/54/1268654254.db2.gz FHNVMDRMUUDZQK-YESZJQIVSA-N 2 1 366.506 0.779 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC12CCOCC2 ZINC001553459760 1268654444 /nfs/dbraw/zinc/65/44/44/1268654444.db2.gz FHNVMDRMUUDZQK-BRWVUGGUSA-N 2 1 366.506 0.779 20 0 FCADMP O=C(N[C@H]1CCc2ncnn2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553459585 1268654797 /nfs/dbraw/zinc/65/47/97/1268654797.db2.gz WEHGWTWAWQKRDV-CWRNSKLLSA-N 2 1 359.478 0.203 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001553509941 1268661844 /nfs/dbraw/zinc/66/18/44/1268661844.db2.gz XGJZMXOHJNKEND-KLHDSHLOSA-N 2 1 354.495 0.633 20 0 FCADMP [NH3+][C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001340869694 1268687816 /nfs/dbraw/zinc/68/78/16/1268687816.db2.gz ZGNPNQUHNBSODS-UXHICEINSA-N 2 1 374.529 0.859 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341585851 1269095896 /nfs/dbraw/zinc/09/58/96/1269095896.db2.gz NTTHVCVJKULRFT-DFGXFYAUSA-N 2 1 368.522 0.576 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC001341697501 1269156671 /nfs/dbraw/zinc/15/66/71/1269156671.db2.gz RPDQHNBJFSVQHS-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001341712155 1269164721 /nfs/dbraw/zinc/16/47/21/1269164721.db2.gz JNLWLOWKMUJPHE-ROUUACIJSA-N 2 1 373.501 0.695 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001341712156 1269164731 /nfs/dbraw/zinc/16/47/31/1269164731.db2.gz JNLWLOWKMUJPHE-ZWKOTPCHSA-N 2 1 373.501 0.695 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001563599307 1269394060 /nfs/dbraw/zinc/39/40/60/1269394060.db2.gz NMYWEHDAZLAQQY-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001563599307 1269394070 /nfs/dbraw/zinc/39/40/70/1269394070.db2.gz NMYWEHDAZLAQQY-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001563599307 1269394071 /nfs/dbraw/zinc/39/40/71/1269394071.db2.gz NMYWEHDAZLAQQY-INIZCTEOSA-N 2 1 355.527 0.158 20 0 FCADMP [NH3+]Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001342341425 1269435017 /nfs/dbraw/zinc/43/50/17/1269435017.db2.gz VPPFLVLVAOFCJI-QGZVFWFLSA-N 2 1 360.458 0.797 20 0 FCADMP O=C(COC1C[NH2+]C1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001580560294 1278486524 /nfs/dbraw/zinc/48/65/24/1278486524.db2.gz GAKFWBDVCRVZJD-GOSISDBHSA-N 2 1 358.486 0.394 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001565927027 1269523479 /nfs/dbraw/zinc/52/34/79/1269523479.db2.gz KHEITQZYGJKVOQ-HYVNUMGLSA-N 2 1 351.495 0.681 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001566673707 1269655809 /nfs/dbraw/zinc/65/58/09/1269655809.db2.gz PQWDOLCMCKPNJT-QGZVFWFLSA-N 2 1 359.474 0.522 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001567880150 1269713018 /nfs/dbraw/zinc/71/30/18/1269713018.db2.gz VNKXKTRNCHBZLZ-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001567880150 1269713024 /nfs/dbraw/zinc/71/30/24/1269713024.db2.gz VNKXKTRNCHBZLZ-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001567880150 1269713030 /nfs/dbraw/zinc/71/30/30/1269713030.db2.gz VNKXKTRNCHBZLZ-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC001568581680 1269741613 /nfs/dbraw/zinc/74/16/13/1269741613.db2.gz XSFFWJOBEPGVQJ-KURKYZTESA-N 2 1 358.442 0.587 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC001568581680 1269741618 /nfs/dbraw/zinc/74/16/18/1269741618.db2.gz XSFFWJOBEPGVQJ-KURKYZTESA-N 2 1 358.442 0.587 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC001343408586 1269899370 /nfs/dbraw/zinc/89/93/70/1269899370.db2.gz AJVPBGCOBYIYMT-ZIFCJYIRSA-N 2 1 359.518 0.968 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001572816936 1270186241 /nfs/dbraw/zinc/18/62/41/1270186241.db2.gz HMJUXYYZHAFWLQ-IAGOWNOFSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001344949900 1270282309 /nfs/dbraw/zinc/28/23/09/1270282309.db2.gz GXQKMSVYSJRJOR-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580617780 1278570406 /nfs/dbraw/zinc/57/04/06/1278570406.db2.gz KAFHGYPWZQLEAD-PMPSAXMXSA-N 2 1 353.463 0.877 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001573982002 1270974827 /nfs/dbraw/zinc/97/48/27/1270974827.db2.gz LFJVBMFWBHANJN-XNRPHZJLSA-N 2 1 372.477 0.789 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574595720 1271396214 /nfs/dbraw/zinc/39/62/14/1271396214.db2.gz FVVVGCCRYOPHEA-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574786755 1271522953 /nfs/dbraw/zinc/52/29/53/1271522953.db2.gz XRLRGGOPEHXRLJ-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574786755 1271522962 /nfs/dbraw/zinc/52/29/62/1271522962.db2.gz XRLRGGOPEHXRLJ-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574786755 1271522968 /nfs/dbraw/zinc/52/29/68/1271522968.db2.gz XRLRGGOPEHXRLJ-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574870924 1271623268 /nfs/dbraw/zinc/62/32/68/1271623268.db2.gz FHYKICNVBAWSLC-ABAIWWIYSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876319 1271633120 /nfs/dbraw/zinc/63/31/20/1271633120.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876319 1271633126 /nfs/dbraw/zinc/63/31/26/1271633126.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876319 1271633131 /nfs/dbraw/zinc/63/31/31/1271633131.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886021 1271645639 /nfs/dbraw/zinc/64/56/39/1271645639.db2.gz LYYGDYZXFNGARY-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886021 1271645645 /nfs/dbraw/zinc/64/56/45/1271645645.db2.gz LYYGDYZXFNGARY-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886021 1271645654 /nfs/dbraw/zinc/64/56/54/1271645654.db2.gz LYYGDYZXFNGARY-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886021 1271645658 /nfs/dbraw/zinc/64/56/58/1271645658.db2.gz LYYGDYZXFNGARY-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001575196585 1271781227 /nfs/dbraw/zinc/78/12/27/1271781227.db2.gz WUMNTIOJAHVEPJ-CQSZACIVSA-N 2 1 356.467 0.034 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001575196583 1271781284 /nfs/dbraw/zinc/78/12/84/1271781284.db2.gz WUMNTIOJAHVEPJ-AWEZNQCLSA-N 2 1 356.467 0.034 20 0 FCADMP CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH3+])C1 ZINC001575682059 1272294165 /nfs/dbraw/zinc/29/41/65/1272294165.db2.gz KRKHUNRBQLAGRF-HNNXBMFYSA-N 2 1 363.510 0.668 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001575698305 1272316582 /nfs/dbraw/zinc/31/65/82/1272316582.db2.gz NPCABMFFLDZZLP-SFHVURJKSA-N 2 1 351.539 0.299 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001575716334 1272360186 /nfs/dbraw/zinc/36/01/86/1272360186.db2.gz PAIVFLBAMPGWLQ-HNNXBMFYSA-N 2 1 361.494 0.476 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001575717127 1272361688 /nfs/dbraw/zinc/36/16/88/1272361688.db2.gz ZXJIDQORWUUPHV-ZIAGYGMSSA-N 2 1 363.510 0.827 20 0 FCADMP CC(C)OCC[NH+]1CCN(c2nnc(CC3CC3)n2CC2C[NH2+]C2)CC1 ZINC001575779835 1272431560 /nfs/dbraw/zinc/43/15/60/1272431560.db2.gz AVXCCSGKRICDET-UHFFFAOYSA-N 2 1 362.522 0.997 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001575955124 1272594551 /nfs/dbraw/zinc/59/45/51/1272594551.db2.gz FNOZCGSTIZMGAF-AWEZNQCLSA-N 2 1 357.499 0.966 20 0 FCADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058803 1272795485 /nfs/dbraw/zinc/79/54/85/1272795485.db2.gz PTFLTXOSFGPOPG-LSDHHAIUSA-N 2 1 364.494 0.427 20 0 FCADMP C[C@H]([NH3+])c1nc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cs1 ZINC001576176915 1272978833 /nfs/dbraw/zinc/97/88/33/1272978833.db2.gz FJTOHOXDIIBLMF-GWCFXTLKSA-N 2 1 351.476 0.717 20 0 FCADMP C[C@H]([NH3+])c1nc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cs1 ZINC001576176915 1272978838 /nfs/dbraw/zinc/97/88/38/1272978838.db2.gz FJTOHOXDIIBLMF-GWCFXTLKSA-N 2 1 351.476 0.717 20 0 FCADMP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001576201823 1272988598 /nfs/dbraw/zinc/98/85/98/1272988598.db2.gz YZLISXKYDYKUTE-JYJNAYRXSA-N 2 1 353.511 0.160 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[N@@H+](C)CCN1C ZINC001576207661 1272989569 /nfs/dbraw/zinc/98/95/69/1272989569.db2.gz QBVDLHLNULUBQQ-ARFHVFGLSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CN(C)CC[N@@H+]1C ZINC001576207661 1272989584 /nfs/dbraw/zinc/98/95/84/1272989584.db2.gz QBVDLHLNULUBQQ-ARFHVFGLSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CN(C)CC[N@H+]1C ZINC001576207661 1272989590 /nfs/dbraw/zinc/98/95/90/1272989590.db2.gz QBVDLHLNULUBQQ-ARFHVFGLSA-N 2 1 353.511 0.079 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001576254809 1273036469 /nfs/dbraw/zinc/03/64/69/1273036469.db2.gz FXQZXVGPQACMGD-WFASDCNBSA-N 2 1 358.450 0.283 20 0 FCADMP CC1(C)[NH2+][C@H](CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CO1 ZINC001576488384 1273337471 /nfs/dbraw/zinc/33/74/71/1273337471.db2.gz CMMUVWXDWWJMLN-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)CC[N@@H+]1C ZINC001576791667 1273689568 /nfs/dbraw/zinc/68/95/68/1273689568.db2.gz SERJKMYUOJCIJG-SNVBAGLBSA-N 2 1 357.252 0.346 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)CC[N@H+]1C ZINC001576791667 1273689573 /nfs/dbraw/zinc/68/95/73/1273689573.db2.gz SERJKMYUOJCIJG-SNVBAGLBSA-N 2 1 357.252 0.346 20 0 FCADMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806595 1273715903 /nfs/dbraw/zinc/71/59/03/1273715903.db2.gz NWSQQGSRNCQNQZ-KGLIPLIRSA-N 2 1 372.477 0.865 20 0 FCADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825841 1273749024 /nfs/dbraw/zinc/74/90/24/1273749024.db2.gz XAKRCGIDENJAJT-ZDUSSCGKSA-N 2 1 372.477 0.783 20 0 FCADMP C[C@@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828551 1273755226 /nfs/dbraw/zinc/75/52/26/1273755226.db2.gz IHNKCSFPNPHLDR-GDBMZVCRSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@@H]1CN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828551 1273755230 /nfs/dbraw/zinc/75/52/30/1273755230.db2.gz IHNKCSFPNPHLDR-GDBMZVCRSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@@H]1CN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828551 1273755239 /nfs/dbraw/zinc/75/52/39/1273755239.db2.gz IHNKCSFPNPHLDR-GDBMZVCRSA-N 2 1 361.538 0.965 20 0 FCADMP C[N@@H+](CCc1c[nH]nn1)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883395 1273866859 /nfs/dbraw/zinc/86/68/59/1273866859.db2.gz MONGACFSLWHERC-INIZCTEOSA-N 2 1 364.494 0.381 20 0 FCADMP C[N@H+](CCc1cn[nH]n1)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883395 1273866874 /nfs/dbraw/zinc/86/68/74/1273866874.db2.gz MONGACFSLWHERC-INIZCTEOSA-N 2 1 364.494 0.381 20 0 FCADMP C[N@@H+](CCc1cn[nH]n1)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001576883395 1273866881 /nfs/dbraw/zinc/86/68/81/1273866881.db2.gz MONGACFSLWHERC-INIZCTEOSA-N 2 1 364.494 0.381 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576884756 1273874639 /nfs/dbraw/zinc/87/46/39/1273874639.db2.gz ZOARXWXGXQIMRR-HQVVEAJESA-N 2 1 362.478 0.529 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001576995014 1274028641 /nfs/dbraw/zinc/02/86/41/1274028641.db2.gz HTSDZKDOXMQOTQ-TUVASFSCSA-N 2 1 363.510 0.525 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577554508 1274496340 /nfs/dbraw/zinc/49/63/40/1274496340.db2.gz SPYYVIAZAWDSMA-KBPBESRZSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555335 1274497291 /nfs/dbraw/zinc/49/72/91/1274497291.db2.gz YFFSDWFDIOKWGT-CYBMUJFWSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577565260 1274521020 /nfs/dbraw/zinc/52/10/20/1274521020.db2.gz LUXHCOIDAJMUCV-NSHDSACASA-N 2 1 351.480 0.864 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567795 1274525304 /nfs/dbraw/zinc/52/53/04/1274525304.db2.gz HLLXUUYRVFIUAT-ZDUSSCGKSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574326 1274540218 /nfs/dbraw/zinc/54/02/18/1274540218.db2.gz VQRNETAROJYPOJ-UHFFFAOYSA-N 2 1 360.466 0.854 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577574220 1274540433 /nfs/dbraw/zinc/54/04/33/1274540433.db2.gz RQNWWAWMRHRELE-CYBMUJFWSA-N 2 1 360.466 0.935 20 0 FCADMP CCCN(CCNC(=O)C1CC[NH+](C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577598496 1274567430 /nfs/dbraw/zinc/56/74/30/1274567430.db2.gz RMWWVWNQXWAPIX-UHFFFAOYSA-N 2 1 372.477 0.936 20 0 FCADMP CC[N@@H+](CCNC(=O)NCCCN1CC[NH2+]CC1)CCC(F)(F)F ZINC001577722715 1274790198 /nfs/dbraw/zinc/79/01/98/1274790198.db2.gz FVQCCQYGGLGRDE-UHFFFAOYSA-N 2 1 353.433 0.855 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH2+]C)C2)C1 ZINC001577764073 1274847369 /nfs/dbraw/zinc/84/73/69/1274847369.db2.gz PROXFBFFJQBKEQ-HUUCEWRRSA-N 2 1 356.478 0.875 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH2+]CC2)C1 ZINC001577763871 1274848746 /nfs/dbraw/zinc/84/87/46/1274848746.db2.gz LKFLJLLWLJILKJ-HNNXBMFYSA-N 2 1 361.494 0.152 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)C1 ZINC001577774157 1274863746 /nfs/dbraw/zinc/86/37/46/1274863746.db2.gz UFHAJVLNZCEZGM-QLFBSQMISA-N 2 1 361.494 0.293 20 0 FCADMP CCN1CC[NH+](CCCn2c(C3CC3)nnc2N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC001577778264 1274871222 /nfs/dbraw/zinc/87/12/22/1274871222.db2.gz OVQZVXTVZVVTDQ-RDJZCZTQSA-N 2 1 361.538 0.967 20 0 FCADMP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC001577781342 1274876216 /nfs/dbraw/zinc/87/62/16/1274876216.db2.gz MTDJHVKHQGJKOT-GDBMZVCRSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC001577780895 1274877372 /nfs/dbraw/zinc/87/73/72/1274877372.db2.gz FYNMMCSVFAQSRF-KKUMJFAQSA-N 2 1 363.510 0.743 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577851894 1274992361 /nfs/dbraw/zinc/99/23/61/1274992361.db2.gz FKWRQIUMEFBMGQ-CYBMUJFWSA-N 2 1 358.450 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577851894 1274992370 /nfs/dbraw/zinc/99/23/70/1274992370.db2.gz FKWRQIUMEFBMGQ-CYBMUJFWSA-N 2 1 358.450 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852069 1274994221 /nfs/dbraw/zinc/99/42/21/1274994221.db2.gz JGELOBCLPKMSGP-KBPBESRZSA-N 2 1 372.477 0.532 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577852269 1274995078 /nfs/dbraw/zinc/99/50/78/1274995078.db2.gz NNHQJQXXXVJSNS-OKILXGFUSA-N 2 1 370.461 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577852269 1274995092 /nfs/dbraw/zinc/99/50/92/1274995092.db2.gz NNHQJQXXXVJSNS-OKILXGFUSA-N 2 1 370.461 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577852217 1274995881 /nfs/dbraw/zinc/99/58/81/1274995881.db2.gz MHVPWXAETWGNSR-HIFRSBDPSA-N 2 1 372.477 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866341 1275044563 /nfs/dbraw/zinc/04/45/63/1275044563.db2.gz FCWIRALMZOZTCM-CYBMUJFWSA-N 2 1 358.450 0.546 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577869034 1275051811 /nfs/dbraw/zinc/05/18/11/1275051811.db2.gz NZNMYRQEDZFHHS-OAHLLOKOSA-N 2 1 352.483 0.160 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577893970 1275103987 /nfs/dbraw/zinc/10/39/87/1275103987.db2.gz GZBKKTYHRDWBHM-CABCVRRESA-N 2 1 372.477 0.254 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577893970 1275103990 /nfs/dbraw/zinc/10/39/90/1275103990.db2.gz GZBKKTYHRDWBHM-CABCVRRESA-N 2 1 372.477 0.254 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949506 1275170962 /nfs/dbraw/zinc/17/09/62/1275170962.db2.gz JZVIBHWBYJQDLI-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949506 1275170964 /nfs/dbraw/zinc/17/09/64/1275170964.db2.gz JZVIBHWBYJQDLI-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949506 1275170966 /nfs/dbraw/zinc/17/09/66/1275170966.db2.gz JZVIBHWBYJQDLI-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577975451 1275203513 /nfs/dbraw/zinc/20/35/13/1275203513.db2.gz DMSDFZLUNJTTDS-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001578109820 1275412246 /nfs/dbraw/zinc/41/22/46/1275412246.db2.gz JIPBYQCRLRLBRD-CYBMUJFWSA-N 2 1 372.477 0.594 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220015 1275516022 /nfs/dbraw/zinc/51/60/22/1275516022.db2.gz VANULQQQXPNNRB-CJNGLKHVSA-N 2 1 370.461 0.571 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224589 1275524200 /nfs/dbraw/zinc/52/42/00/1275524200.db2.gz PJEFAGRSEURIKT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224589 1275524204 /nfs/dbraw/zinc/52/42/04/1275524204.db2.gz PJEFAGRSEURIKT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224589 1275524209 /nfs/dbraw/zinc/52/42/09/1275524209.db2.gz PJEFAGRSEURIKT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578224589 1275524210 /nfs/dbraw/zinc/52/42/10/1275524210.db2.gz PJEFAGRSEURIKT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CCc1nnc(N2CC[C@@H]([NH3+])C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001578329472 1275675417 /nfs/dbraw/zinc/67/54/17/1275675417.db2.gz WGAHQKVQFGGHLA-MSOLQXFVSA-N 2 1 370.501 0.993 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578443954 1275830680 /nfs/dbraw/zinc/83/06/80/1275830680.db2.gz GLQKLIVHZVJHPF-DVOMOZLQSA-N 2 1 372.477 0.673 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CC[NH2+]CC1 ZINC001578461193 1275866344 /nfs/dbraw/zinc/86/63/44/1275866344.db2.gz GPIIIYWJJOYXOZ-UHFFFAOYSA-N 2 1 354.476 0.594 20 0 FCADMP CN(Cc1ccco1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578525205 1275957765 /nfs/dbraw/zinc/95/77/65/1275957765.db2.gz AYGHCNCTIOJMDF-QWQRMKEZSA-N 2 1 360.462 0.779 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578525099 1275957979 /nfs/dbraw/zinc/95/79/79/1275957979.db2.gz OXZSGVPDDMVIGA-MRXNPFEDSA-N 2 1 353.511 0.175 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578525099 1275957986 /nfs/dbraw/zinc/95/79/86/1275957986.db2.gz OXZSGVPDDMVIGA-MRXNPFEDSA-N 2 1 353.511 0.175 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001578525933 1275958881 /nfs/dbraw/zinc/95/88/81/1275958881.db2.gz UIFYZADFNHBSTQ-VQIMIIECSA-N 2 1 374.464 0.612 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525901 1275959219 /nfs/dbraw/zinc/95/92/19/1275959219.db2.gz TWPKSAUGXIUNDW-MAUKXSAKSA-N 2 1 364.494 0.038 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)CC1 ZINC001578533563 1275964798 /nfs/dbraw/zinc/96/47/98/1275964798.db2.gz NFHWXXWURHHIIY-ZWKOTPCHSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@@H](CNC(=O)N[C@H]2CC(=O)N(C3C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578543501 1275970349 /nfs/dbraw/zinc/97/03/49/1275970349.db2.gz XDFAAVYRUHNIBY-RYRKJORJSA-N 2 1 371.485 0.204 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001578654517 1276106105 /nfs/dbraw/zinc/10/61/05/1276106105.db2.gz RKDLVUFJHQUWCB-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001578730988 1276206789 /nfs/dbraw/zinc/20/67/89/1276206789.db2.gz GIPZRZNPPKFDGN-BZUAXINKSA-N 2 1 364.494 0.506 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]2CC23C[NH2+]C3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001578781992 1276264250 /nfs/dbraw/zinc/26/42/50/1276264250.db2.gz WKOYEYXJVUVSCJ-OXJNMPFZSA-N 2 1 357.454 0.920 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC12C[NH2+]C2 ZINC001578797944 1276286192 /nfs/dbraw/zinc/28/61/92/1276286192.db2.gz VJRAGCXAWPKWJA-HNNXBMFYSA-N 2 1 351.491 0.966 20 0 FCADMP COC(=O)CCN1CCC[C@H]([N@@H+]2CCOC3(CCC([NH3+])CC3)C2)C1=O ZINC001578807340 1276298513 /nfs/dbraw/zinc/29/85/13/1276298513.db2.gz HMSQLEGYQITCID-CSLYMUCUSA-N 2 1 353.463 0.513 20 0 FCADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCOC3(CCC([NH3+])CC3)C2)C1=O ZINC001578807340 1276298514 /nfs/dbraw/zinc/29/85/14/1276298514.db2.gz HMSQLEGYQITCID-CSLYMUCUSA-N 2 1 353.463 0.513 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001578841297 1276359486 /nfs/dbraw/zinc/35/94/86/1276359486.db2.gz BLQULEPWJAILAH-SUKQMUEJSA-N 2 1 350.463 0.535 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](CCS(=O)(=O)Cc1ccccc1)C2 ZINC001578842697 1276362337 /nfs/dbraw/zinc/36/23/37/1276362337.db2.gz RTLUXAYWUBADBQ-SOLBZPMBSA-N 2 1 366.483 0.814 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578973035 1276518846 /nfs/dbraw/zinc/51/88/46/1276518846.db2.gz UQILGPLQHMCNGL-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578973035 1276518847 /nfs/dbraw/zinc/51/88/47/1276518847.db2.gz UQILGPLQHMCNGL-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001578976347 1276527662 /nfs/dbraw/zinc/52/76/62/1276527662.db2.gz VYLYVRBUNNCSNQ-QAPCUYQASA-N 2 1 370.461 0.831 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578978091 1276533461 /nfs/dbraw/zinc/53/34/61/1276533461.db2.gz DTBYRXIPVQGNKE-AWEZNQCLSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578978091 1276533466 /nfs/dbraw/zinc/53/34/66/1276533466.db2.gz DTBYRXIPVQGNKE-AWEZNQCLSA-N 2 1 361.425 0.648 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOC[C@@H]1C ZINC001579020446 1276599151 /nfs/dbraw/zinc/59/91/51/1276599151.db2.gz CFHMHGMCFBZJFP-JKSUJKDBSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CC1=O ZINC001579020676 1276599330 /nfs/dbraw/zinc/59/93/30/1276599330.db2.gz HNHOKXLFNHWHAV-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001579022197 1276599951 /nfs/dbraw/zinc/59/99/51/1276599951.db2.gz TZDXUTNIUVWKJG-ARFHVFGLSA-N 2 1 366.510 0.881 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOC[C@@H]1C ZINC001579020444 1276600010 /nfs/dbraw/zinc/60/00/10/1276600010.db2.gz CFHMHGMCFBZJFP-HOTGVXAUSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001579022199 1276601727 /nfs/dbraw/zinc/60/17/27/1276601727.db2.gz TZDXUTNIUVWKJG-HRCADAONSA-N 2 1 366.510 0.881 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579027835 1276610576 /nfs/dbraw/zinc/61/05/76/1276610576.db2.gz QTOPQRYYJQUSDS-IRXDYDNUSA-N 2 1 356.511 0.883 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001579120486 1276793010 /nfs/dbraw/zinc/79/30/10/1276793010.db2.gz FUESTKDREOTVRB-XMTFNYHQSA-N 2 1 362.474 0.155 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579171239 1276925557 /nfs/dbraw/zinc/92/55/57/1276925557.db2.gz ADTLBQMAVHKCTO-KRWDZBQOSA-N 2 1 369.473 0.757 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579323177 1277140550 /nfs/dbraw/zinc/14/05/50/1277140550.db2.gz QZDFIURVTJSRCL-FHERZECASA-N 2 1 369.473 0.897 20 0 FCADMP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325883 1277147924 /nfs/dbraw/zinc/14/79/24/1277147924.db2.gz LDVADDRWPBQLDC-ZDUSSCGKSA-N 2 1 372.477 0.532 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579326255 1277149965 /nfs/dbraw/zinc/14/99/65/1277149965.db2.gz NTFSLPQSDNEQDN-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326255 1277149968 /nfs/dbraw/zinc/14/99/68/1277149968.db2.gz NTFSLPQSDNEQDN-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326255 1277149970 /nfs/dbraw/zinc/14/99/70/1277149970.db2.gz NTFSLPQSDNEQDN-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328808 1277156596 /nfs/dbraw/zinc/15/65/96/1277156596.db2.gz KBSKGYICBJXBBX-MRXNPFEDSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328808 1277156597 /nfs/dbraw/zinc/15/65/97/1277156597.db2.gz KBSKGYICBJXBBX-MRXNPFEDSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328808 1277156600 /nfs/dbraw/zinc/15/66/00/1277156600.db2.gz KBSKGYICBJXBBX-MRXNPFEDSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579328663 1277157632 /nfs/dbraw/zinc/15/76/32/1277157632.db2.gz IWSJJHQFRXMYAI-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001579331508 1277161592 /nfs/dbraw/zinc/16/15/92/1277161592.db2.gz FCKGSWNCOPTYPX-LBPRGKRZSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001579332172 1277161775 /nfs/dbraw/zinc/16/17/75/1277161775.db2.gz JTXOGNBHTMQMAG-ZDUSSCGKSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332488 1277164889 /nfs/dbraw/zinc/16/48/89/1277164889.db2.gz KSNAVMBIIUMVJZ-IUODEOHRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332488 1277164898 /nfs/dbraw/zinc/16/48/98/1277164898.db2.gz KSNAVMBIIUMVJZ-IUODEOHRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332488 1277164902 /nfs/dbraw/zinc/16/49/02/1277164902.db2.gz KSNAVMBIIUMVJZ-IUODEOHRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332488 1277164907 /nfs/dbraw/zinc/16/49/07/1277164907.db2.gz KSNAVMBIIUMVJZ-IUODEOHRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579334119 1277170786 /nfs/dbraw/zinc/17/07/86/1277170786.db2.gz CLKNHNXXEOLJKZ-MRXNPFEDSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1-c1nn[nH]n1 ZINC001579334117 1277170832 /nfs/dbraw/zinc/17/08/32/1277170832.db2.gz CIRAZHAEGFIHCE-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335034 1277173534 /nfs/dbraw/zinc/17/35/34/1277173534.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335034 1277173539 /nfs/dbraw/zinc/17/35/39/1277173539.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335034 1277173551 /nfs/dbraw/zinc/17/35/51/1277173551.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579336185 1277179646 /nfs/dbraw/zinc/17/96/46/1277179646.db2.gz ZTUYEPJTUUGPDN-CYBMUJFWSA-N 2 1 370.461 0.334 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579338372 1277180653 /nfs/dbraw/zinc/18/06/53/1277180653.db2.gz LOIUZJJCUUWECL-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339762 1277183741 /nfs/dbraw/zinc/18/37/41/1277183741.db2.gz LSDPHYKSIQTUEA-UTUOFQBUSA-N 2 1 361.475 0.617 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339968 1277185253 /nfs/dbraw/zinc/18/52/53/1277185253.db2.gz OQFYVUCGLSMBAF-KCPJHIHWSA-N 2 1 373.436 0.694 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340297 1277185912 /nfs/dbraw/zinc/18/59/12/1277185912.db2.gz TYBSFMLEJMXRFC-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340297 1277185913 /nfs/dbraw/zinc/18/59/13/1277185913.db2.gz TYBSFMLEJMXRFC-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340297 1277185914 /nfs/dbraw/zinc/18/59/14/1277185914.db2.gz TYBSFMLEJMXRFC-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579340926 1277187231 /nfs/dbraw/zinc/18/72/31/1277187231.db2.gz CVPBFYDWSASGRW-CYBMUJFWSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579340926 1277187235 /nfs/dbraw/zinc/18/72/35/1277187235.db2.gz CVPBFYDWSASGRW-CYBMUJFWSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344444 1277194953 /nfs/dbraw/zinc/19/49/53/1277194953.db2.gz FUFSVBFMIJTRAO-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344444 1277194955 /nfs/dbraw/zinc/19/49/55/1277194955.db2.gz FUFSVBFMIJTRAO-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344444 1277194957 /nfs/dbraw/zinc/19/49/57/1277194957.db2.gz FUFSVBFMIJTRAO-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344444 1277194960 /nfs/dbraw/zinc/19/49/60/1277194960.db2.gz FUFSVBFMIJTRAO-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344735 1277195128 /nfs/dbraw/zinc/19/51/28/1277195128.db2.gz RFNQRFIXWWPWGJ-QWHCGFSZSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343913 1277195164 /nfs/dbraw/zinc/19/51/64/1277195164.db2.gz NHYKNCLATSRATB-MLGOLLRUSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345288 1277196050 /nfs/dbraw/zinc/19/60/50/1277196050.db2.gz KTPYINZDEKVVKX-ZDUSSCGKSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345288 1277196053 /nfs/dbraw/zinc/19/60/53/1277196053.db2.gz KTPYINZDEKVVKX-ZDUSSCGKSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347316 1277201088 /nfs/dbraw/zinc/20/10/88/1277201088.db2.gz AXLMUKBESBEMHM-MGPQQGTHSA-N 2 1 370.461 0.332 20 0 FCADMP CN(CC[N@@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC001579350086 1277205883 /nfs/dbraw/zinc/20/58/83/1277205883.db2.gz XJHSHCJCTCANFF-SFHVURJKSA-N 2 1 373.505 0.858 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579356049 1277219275 /nfs/dbraw/zinc/21/92/75/1277219275.db2.gz IVHMFOKLPKMTAM-HOTGVXAUSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358587 1277226300 /nfs/dbraw/zinc/22/63/00/1277226300.db2.gz GNPABRGBHCBSPS-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358587 1277226304 /nfs/dbraw/zinc/22/63/04/1277226304.db2.gz GNPABRGBHCBSPS-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579359766 1277233534 /nfs/dbraw/zinc/23/35/34/1277233534.db2.gz CLTSVMXMOQRWNZ-FRFSOERESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361402 1277239769 /nfs/dbraw/zinc/23/97/69/1277239769.db2.gz NBOBRNFITLKLLQ-AWEZNQCLSA-N 2 1 370.461 0.785 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361402 1277239772 /nfs/dbraw/zinc/23/97/72/1277239772.db2.gz NBOBRNFITLKLLQ-AWEZNQCLSA-N 2 1 370.461 0.785 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363117 1277242410 /nfs/dbraw/zinc/24/24/10/1277242410.db2.gz WCZXGOGHGVFPIV-IJEWVQPXSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001579372295 1277256147 /nfs/dbraw/zinc/25/61/47/1277256147.db2.gz SJXZQZNIVITOBA-IAGOWNOFSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001579397037 1277281459 /nfs/dbraw/zinc/28/14/59/1277281459.db2.gz DIVMGTZRZSWQQB-RDJZCZTQSA-N 3 1 350.511 0.809 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001579397037 1277281466 /nfs/dbraw/zinc/28/14/66/1277281466.db2.gz DIVMGTZRZSWQQB-RDJZCZTQSA-N 3 1 350.511 0.809 20 0 FCADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646672 1277714866 /nfs/dbraw/zinc/71/48/66/1277714866.db2.gz OWWHJBWLBPHHJV-QZTJIDSGSA-N 2 1 357.502 0.994 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@H](C(=O)N3CC[NH2+]CC3)C1)C2 ZINC001579877381 1277947180 /nfs/dbraw/zinc/94/71/80/1277947180.db2.gz LLQJBXYJTJHGEL-HOTGVXAUSA-N 2 1 359.474 0.424 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]([NH2+]CCO)C2)cn1 ZINC001579881726 1277948957 /nfs/dbraw/zinc/94/89/57/1277948957.db2.gz JUDIKOYAPIJXND-INIZCTEOSA-N 2 1 358.446 0.832 20 0 FCADMP Cc1nnc(N2CC[NH2+]CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001579910432 1277959067 /nfs/dbraw/zinc/95/90/67/1277959067.db2.gz KVOGUOVOOZBZHP-UHFFFAOYSA-N 2 1 356.474 0.877 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[C@H]([NH3+])C3)c1 ZINC001580169614 1278025150 /nfs/dbraw/zinc/02/51/50/1278025150.db2.gz HZTMOIOMCREQCO-SCRDCRAPSA-N 2 1 352.460 0.474 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]CC(=O)N3CCC3)cc2)CC[N@H+]1C ZINC001714319319 1287318762 /nfs/dbraw/zinc/31/87/62/1287318762.db2.gz ALQKRKSHGWOUHB-CRAIPNDOSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580279149 1278078183 /nfs/dbraw/zinc/07/81/83/1278078183.db2.gz MWXVFPJEZUGHKK-ZFWWWQNUSA-N 2 1 357.462 0.803 20 0 FCADMP O=S(=O)(C1C[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001580861546 1279056367 /nfs/dbraw/zinc/05/63/67/1279056367.db2.gz ZKUCCBNBIUSPJV-UHFFFAOYSA-N 2 1 353.488 0.513 20 0 FCADMP Cc1cc(N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949439 1279154941 /nfs/dbraw/zinc/15/49/41/1279154941.db2.gz ZXBDEYXLCDWDHE-ZDUSSCGKSA-N 2 1 358.450 0.464 20 0 FCADMP Cc1cc(N(C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949045 1279155374 /nfs/dbraw/zinc/15/53/74/1279155374.db2.gz LNDKNFFBDQQZNV-LBPRGKRZSA-N 2 1 358.450 0.464 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962419 1279167103 /nfs/dbraw/zinc/16/71/03/1279167103.db2.gz URBJYHXKAUEPGW-JSGCOSHPSA-N 2 1 356.434 0.359 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962356 1279167668 /nfs/dbraw/zinc/16/76/68/1279167668.db2.gz SXAGUKIICPKDQP-ZDUSSCGKSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968771 1279170642 /nfs/dbraw/zinc/17/06/42/1279170642.db2.gz WUSWBWUEXIYXFA-OAHLLOKOSA-N 2 1 370.461 0.703 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990710 1279193234 /nfs/dbraw/zinc/19/32/34/1279193234.db2.gz HMEHLHJIQWNFRG-GXTWGEPZSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992918 1279197657 /nfs/dbraw/zinc/19/76/57/1279197657.db2.gz BKHRANVDVTWZCT-CYBMUJFWSA-N 2 1 360.466 0.591 20 0 FCADMP Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004145 1279222690 /nfs/dbraw/zinc/22/26/90/1279222690.db2.gz MPIOUGROSQRMQK-ZIAGYGMSSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004143 1279222911 /nfs/dbraw/zinc/22/29/11/1279222911.db2.gz MPIOUGROSQRMQK-KGLIPLIRSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011023 1279237124 /nfs/dbraw/zinc/23/71/24/1279237124.db2.gz AYXTVZDUTRMFNL-BBRMVZONSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015820 1279244376 /nfs/dbraw/zinc/24/43/76/1279244376.db2.gz DODYHJBUNNHGGX-HZPDHXFCSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024576 1279256222 /nfs/dbraw/zinc/25/62/22/1279256222.db2.gz JASLTBVXDOOOQC-LRDDRELGSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024408 1279256334 /nfs/dbraw/zinc/25/63/34/1279256334.db2.gz HQWRCHPPMRDVKF-YPMHNXCESA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NCCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027179 1279260699 /nfs/dbraw/zinc/26/06/99/1279260699.db2.gz MWQMZWLRJWHWEZ-CQSZACIVSA-N 2 1 372.477 0.785 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027582 1279261868 /nfs/dbraw/zinc/26/18/68/1279261868.db2.gz VARXTMSEHVZQGM-LBPRGKRZSA-N 2 1 372.477 0.783 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3nnnn3C3CC3)CCCC2)CC[N@@H+]1C ZINC001715095052 1287344295 /nfs/dbraw/zinc/34/42/95/1287344295.db2.gz NDFPLPNJOKFEAA-UKRRQHHQSA-N 2 1 361.494 0.867 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3nnnn3C3CC3)CCCC2)CC[N@H+]1C ZINC001715095052 1287344300 /nfs/dbraw/zinc/34/43/00/1287344300.db2.gz NDFPLPNJOKFEAA-UKRRQHHQSA-N 2 1 361.494 0.867 20 0 FCADMP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715603010 1287358207 /nfs/dbraw/zinc/35/82/07/1287358207.db2.gz SJHHDNDLFISDCT-KURKYZTESA-N 2 1 371.485 0.332 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001716682349 1287386601 /nfs/dbraw/zinc/38/66/01/1287386601.db2.gz NIPYFQKJNSERNJ-RBSFLKMASA-N 2 1 357.520 0.390 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581564093 1280141481 /nfs/dbraw/zinc/14/14/81/1280141481.db2.gz VGWLIFKONSYRNT-ZDUSSCGKSA-N 2 1 368.445 0.914 20 0 FCADMP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C[NH+]1CCCC1 ZINC001603528910 1287406840 /nfs/dbraw/zinc/40/68/40/1287406840.db2.gz UJOHAPFJWJEVRQ-DYVFJYSZSA-N 2 1 369.473 0.902 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001582187223 1281166452 /nfs/dbraw/zinc/16/64/52/1281166452.db2.gz SODQZADVIDLQDM-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001582193223 1281169886 /nfs/dbraw/zinc/16/98/86/1281169886.db2.gz UXIKRKLWTGBFKQ-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001582215004 1281194572 /nfs/dbraw/zinc/19/45/72/1281194572.db2.gz LEDXKNHBLSPDLI-UHFFFAOYSA-N 2 1 368.445 0.396 20 0 FCADMP O=C(N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CCC[NH+]1CCC2 ZINC001582216366 1281196339 /nfs/dbraw/zinc/19/63/39/1281196339.db2.gz HOUBTHWNPAUZME-UHFFFAOYSA-N 2 1 368.445 0.539 20 0 FCADMP O=C(N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001582319608 1281337638 /nfs/dbraw/zinc/33/76/38/1281337638.db2.gz FZYODFPREUELIQ-ZFWWWQNUSA-N 2 1 368.445 0.298 20 0 FCADMP O=C1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1 ZINC001582760655 1281986286 /nfs/dbraw/zinc/98/62/86/1281986286.db2.gz RCULNCWOMWGMIM-CQSZACIVSA-N 2 1 355.446 0.557 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001589467332 1282890050 /nfs/dbraw/zinc/89/00/50/1282890050.db2.gz QFAXAIKFMDMKRP-JKSUJKDBSA-N 2 1 357.462 0.885 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001589467330 1282890213 /nfs/dbraw/zinc/89/02/13/1282890213.db2.gz QFAXAIKFMDMKRP-HOTGVXAUSA-N 2 1 357.462 0.885 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001604332633 1287607628 /nfs/dbraw/zinc/60/76/28/1287607628.db2.gz WEVSRAWNXDZOCW-CYBMUJFWSA-N 2 1 372.477 0.935 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270621 1283395287 /nfs/dbraw/zinc/39/52/87/1283395287.db2.gz CWEZVKSLVAGPPD-YWVDXFKGSA-N 2 1 356.434 0.110 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001590269313 1283397126 /nfs/dbraw/zinc/39/71/26/1283397126.db2.gz LYBQVUJMDDSCHW-IYXRBSQSSA-N 2 1 370.461 0.427 20 0 FCADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590981745 1284039989 /nfs/dbraw/zinc/03/99/89/1284039989.db2.gz NSVBGURTARJZAM-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071314 1284130690 /nfs/dbraw/zinc/13/06/90/1284130690.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071314 1284130693 /nfs/dbraw/zinc/13/06/93/1284130693.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071314 1284130696 /nfs/dbraw/zinc/13/06/96/1284130696.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071316 1284132241 /nfs/dbraw/zinc/13/22/41/1284132241.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071316 1284132247 /nfs/dbraw/zinc/13/22/47/1284132247.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591071316 1284132254 /nfs/dbraw/zinc/13/22/54/1284132254.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071540 1284133079 /nfs/dbraw/zinc/13/30/79/1284133079.db2.gz YYGJSVHAACIJBG-ZDUSSCGKSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071540 1284133084 /nfs/dbraw/zinc/13/30/84/1284133084.db2.gz YYGJSVHAACIJBG-ZDUSSCGKSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071540 1284133093 /nfs/dbraw/zinc/13/30/93/1284133093.db2.gz YYGJSVHAACIJBG-ZDUSSCGKSA-N 2 1 363.491 0.961 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591171212 1284256471 /nfs/dbraw/zinc/25/64/71/1284256471.db2.gz AHQKQCIHFIEHKD-CYBMUJFWSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175096 1284261702 /nfs/dbraw/zinc/26/17/02/1284261702.db2.gz GRKZYEFIWHVZSZ-HSWBROFVSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175097 1284262702 /nfs/dbraw/zinc/26/27/02/1284262702.db2.gz GRKZYEFIWHVZSZ-PYLYLYNFSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174898 1284262728 /nfs/dbraw/zinc/26/27/28/1284262728.db2.gz CJYLKKBARWODNN-UONOGXRCSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175746 1284266641 /nfs/dbraw/zinc/26/66/41/1284266641.db2.gz UKIPCWLZWOVYEN-WOMSROEHSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178593 1284276443 /nfs/dbraw/zinc/27/64/43/1284276443.db2.gz WTDLGEKMXUTHAT-IHRRRGAJSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001591187341 1284299384 /nfs/dbraw/zinc/29/93/84/1284299384.db2.gz PQRLLTOZNGJTNX-OAHLLOKOSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001591187856 1284302538 /nfs/dbraw/zinc/30/25/38/1284302538.db2.gz ULYCETAKAWBFEW-OAHLLOKOSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001591189177 1284304404 /nfs/dbraw/zinc/30/44/04/1284304404.db2.gz HWUYTUIIQPFRQE-HNNXBMFYSA-N 2 1 361.425 0.696 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996335 1285046980 /nfs/dbraw/zinc/04/69/80/1285046980.db2.gz GFCVGWUWQIRIHX-UHFFFAOYSA-N 2 1 372.477 0.997 20 0 FCADMP Cc1cc(NCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049399 1285094120 /nfs/dbraw/zinc/09/41/20/1285094120.db2.gz SZJHGIXOKNSQPI-HNNXBMFYSA-N 2 1 358.450 0.393 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1O ZINC001719118797 1287776921 /nfs/dbraw/zinc/77/69/21/1287776921.db2.gz HZWZLAQOVBTSES-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1O ZINC001719118797 1287776926 /nfs/dbraw/zinc/77/69/26/1287776926.db2.gz HZWZLAQOVBTSES-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1O ZINC001719118797 1287776931 /nfs/dbraw/zinc/77/69/31/1287776931.db2.gz HZWZLAQOVBTSES-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP [NH3+]C[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C1CCCC1 ZINC001592740689 1285658425 /nfs/dbraw/zinc/65/84/25/1285658425.db2.gz IYGCEAUCOUVFNQ-CVEARBPZSA-N 2 1 355.446 0.687 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@@H]21 ZINC001592740923 1285659360 /nfs/dbraw/zinc/65/93/60/1285659360.db2.gz JPSLOCRUTXBMFW-XBVQOTNRSA-N 2 1 367.457 0.639 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)N1CC[NH2+]CC1 ZINC001592784098 1285707153 /nfs/dbraw/zinc/70/71/53/1285707153.db2.gz UKSJUFQJEXKMIJ-OAHLLOKOSA-N 2 1 355.446 0.511 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001592785884 1285710258 /nfs/dbraw/zinc/71/02/58/1285710258.db2.gz ARNRUTNFNNSZCV-RDJZCZTQSA-N 2 1 367.457 0.750 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001592786199 1285710896 /nfs/dbraw/zinc/71/08/96/1285710896.db2.gz DNSSMAJUPWTHJF-NUEKZKHPSA-N 2 1 353.430 0.264 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038325 1285922071 /nfs/dbraw/zinc/92/20/71/1285922071.db2.gz RYXJVJLESTZUPS-RDJZCZTQSA-N 2 1 369.473 0.947 20 0 FCADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001593529723 1286193043 /nfs/dbraw/zinc/19/30/43/1286193043.db2.gz XVMZUYIKHWHIJY-AWEZNQCLSA-N 2 1 371.449 0.236 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)CC[NH+]1C ZINC001704415350 1286248465 /nfs/dbraw/zinc/24/84/65/1286248465.db2.gz VQUDWBZOJBAKKL-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)CC[N@@H+]1C ZINC001704415350 1286248474 /nfs/dbraw/zinc/24/84/74/1286248474.db2.gz VQUDWBZOJBAKKL-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)CC[N@H+]1C ZINC001704415350 1286248480 /nfs/dbraw/zinc/24/84/80/1286248480.db2.gz VQUDWBZOJBAKKL-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001707221114 1287064612 /nfs/dbraw/zinc/06/46/12/1287064612.db2.gz JQTVZRSWLBYMQQ-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604861584 1287802561 /nfs/dbraw/zinc/80/25/61/1287802561.db2.gz ABBULLGAXUDJGA-QGZVFWFLSA-N 2 1 359.478 0.517 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001720845296 1288268897 /nfs/dbraw/zinc/26/88/97/1288268897.db2.gz ORTSVIQACPUWFT-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001720845296 1288268898 /nfs/dbraw/zinc/26/88/98/1288268898.db2.gz ORTSVIQACPUWFT-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC001721118941 1288295964 /nfs/dbraw/zinc/29/59/64/1288295964.db2.gz DBCPFUXISMIOGB-RHSMWYFYSA-N 2 1 370.457 0.796 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1C ZINC001721118941 1288295971 /nfs/dbraw/zinc/29/59/71/1288295971.db2.gz DBCPFUXISMIOGB-RHSMWYFYSA-N 2 1 370.457 0.796 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001721149617 1288300066 /nfs/dbraw/zinc/30/00/66/1288300066.db2.gz SSMYUQHNNGISIF-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001606546044 1288374664 /nfs/dbraw/zinc/37/46/64/1288374664.db2.gz TVWYMMLEVMFKCJ-VQFNDLOPSA-N 2 1 367.457 0.509 20 0 FCADMP C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829708 1288429980 /nfs/dbraw/zinc/42/99/80/1288429980.db2.gz XKUFLRSHPNAHMR-GJZGRUSLSA-N 2 1 359.478 0.744 20 0 FCADMP C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829708 1288429984 /nfs/dbraw/zinc/42/99/84/1288429984.db2.gz XKUFLRSHPNAHMR-GJZGRUSLSA-N 2 1 359.478 0.744 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@H]1CCC[NH2+]1 ZINC001606728751 1288471528 /nfs/dbraw/zinc/47/15/28/1288471528.db2.gz FYKVVCHCKFDZTI-TZMCWYRMSA-N 2 1 359.434 0.540 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@H]1CCC[NH2+]1 ZINC001606728751 1288471535 /nfs/dbraw/zinc/47/15/35/1288471535.db2.gz FYKVVCHCKFDZTI-TZMCWYRMSA-N 2 1 359.434 0.540 20 0 FCADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606763727 1288496558 /nfs/dbraw/zinc/49/65/58/1288496558.db2.gz KHZSBRKKIXSMKX-GDBMZVCRSA-N 2 1 355.446 0.702 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731771341 1288563760 /nfs/dbraw/zinc/56/37/60/1288563760.db2.gz QOTHWEMSLLJHKH-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731771341 1288563764 /nfs/dbraw/zinc/56/37/64/1288563764.db2.gz QOTHWEMSLLJHKH-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731771341 1288563766 /nfs/dbraw/zinc/56/37/66/1288563766.db2.gz QOTHWEMSLLJHKH-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731771341 1288563771 /nfs/dbraw/zinc/56/37/71/1288563771.db2.gz QOTHWEMSLLJHKH-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1cccnc1 ZINC001732342917 1288581742 /nfs/dbraw/zinc/58/17/42/1288581742.db2.gz LCTHJVYYFBYYME-BFYDXBDKSA-N 2 1 361.490 0.380 20 0 FCADMP COc1ccc(F)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732646998 1288588730 /nfs/dbraw/zinc/58/87/30/1288588730.db2.gz WMEPFBHKRGZELZ-DAXOMENPSA-N 2 1 353.438 0.741 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001733449520 1288611568 /nfs/dbraw/zinc/61/15/68/1288611568.db2.gz STVZBYNCMUSWHG-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP O[C@@H](C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607096046 1288659547 /nfs/dbraw/zinc/65/95/47/1288659547.db2.gz GOAMKILVUKLLSF-XHSDSOJGSA-N 2 1 358.446 0.823 20 0 FCADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607099024 1288662121 /nfs/dbraw/zinc/66/21/21/1288662121.db2.gz CXSMIEKNOUXAEX-OAHLLOKOSA-N 2 1 351.414 0.862 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001736224989 1289208893 /nfs/dbraw/zinc/20/88/93/1289208893.db2.gz DLGOKAOEFYOTHE-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001736224989 1289208898 /nfs/dbraw/zinc/20/88/98/1289208898.db2.gz DLGOKAOEFYOTHE-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCOCCNC(C)=O ZINC001691988834 1289359359 /nfs/dbraw/zinc/35/93/59/1289359359.db2.gz UGHGAKOGRBNLFE-RCCFBDPRSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCOCCNC(C)=O ZINC001691988834 1289359369 /nfs/dbraw/zinc/35/93/69/1289359369.db2.gz UGHGAKOGRBNLFE-RCCFBDPRSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCOCCNC(C)=O ZINC001691988834 1289359378 /nfs/dbraw/zinc/35/93/78/1289359378.db2.gz UGHGAKOGRBNLFE-RCCFBDPRSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCOCCNC(C)=O ZINC001691988834 1289359390 /nfs/dbraw/zinc/35/93/90/1289359390.db2.gz UGHGAKOGRBNLFE-RCCFBDPRSA-N 2 1 368.522 0.593 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001692018798 1289367389 /nfs/dbraw/zinc/36/73/89/1289367389.db2.gz VHCVPDIYMVICTD-DLBZAZTESA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC1CC1 ZINC001692018798 1289367397 /nfs/dbraw/zinc/36/73/97/1289367397.db2.gz VHCVPDIYMVICTD-DLBZAZTESA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001692097355 1289399316 /nfs/dbraw/zinc/39/93/16/1289399316.db2.gz JIXUUPOHNBTKTD-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692281230 1289440585 /nfs/dbraw/zinc/44/05/85/1289440585.db2.gz WOEHNPXPMOFLRS-BBWFWOEESA-N 2 1 352.523 0.975 20 0 FCADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067833 1289546737 /nfs/dbraw/zinc/54/67/37/1289546737.db2.gz ZVHBCJCDRVEWPG-OTWHNJEPSA-N 2 1 371.485 0.332 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NCc3ccco3)CC2)CC[N@H+]1C ZINC001699651169 1289559905 /nfs/dbraw/zinc/55/99/05/1289559905.db2.gz MJEFBKXCKYNPRY-JKSUJKDBSA-N 2 1 362.474 0.865 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@H+]1C ZINC001699652093 1289560128 /nfs/dbraw/zinc/56/01/28/1289560128.db2.gz USFIHFJRUNHNBE-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699751221 1289564762 /nfs/dbraw/zinc/56/47/62/1289564762.db2.gz ODWRXOXEJOALQU-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699814756 1289566626 /nfs/dbraw/zinc/56/66/26/1289566626.db2.gz TZONRKHALJNSLU-HBUWYVDXSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699814756 1289566632 /nfs/dbraw/zinc/56/66/32/1289566632.db2.gz TZONRKHALJNSLU-HBUWYVDXSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699814756 1289566639 /nfs/dbraw/zinc/56/66/39/1289566639.db2.gz TZONRKHALJNSLU-HBUWYVDXSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699814756 1289566648 /nfs/dbraw/zinc/56/66/48/1289566648.db2.gz TZONRKHALJNSLU-HBUWYVDXSA-N 2 1 367.494 0.143 20 0 FCADMP Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)[nH]1 ZINC001699881264 1289569663 /nfs/dbraw/zinc/56/96/63/1289569663.db2.gz VMOXPNQNLZZVOP-TZMCWYRMSA-N 2 1 350.467 0.208 20 0 FCADMP Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)[nH]1 ZINC001699881264 1289569670 /nfs/dbraw/zinc/56/96/70/1289569670.db2.gz VMOXPNQNLZZVOP-TZMCWYRMSA-N 2 1 350.467 0.208 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(CC(=O)OC)nn1 ZINC001621311784 1290032198 /nfs/dbraw/zinc/03/21/98/1290032198.db2.gz UXBXNFBFTUZHQF-INIZCTEOSA-N 2 1 352.483 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001702324045 1290048115 /nfs/dbraw/zinc/04/81/15/1290048115.db2.gz PPZGOIABYLLPQW-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001739641758 1290284750 /nfs/dbraw/zinc/28/47/50/1290284750.db2.gz VJMVRBLNOVBCAQ-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001739720313 1290392840 /nfs/dbraw/zinc/39/28/40/1290392840.db2.gz PXTMREGQEZGWPK-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001739720313 1290392851 /nfs/dbraw/zinc/39/28/51/1290392851.db2.gz PXTMREGQEZGWPK-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001739720313 1290392860 /nfs/dbraw/zinc/39/28/60/1290392860.db2.gz PXTMREGQEZGWPK-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001628122574 1290509358 /nfs/dbraw/zinc/50/93/58/1290509358.db2.gz PVRAJHMRQGSXLC-UHFFFAOYSA-N 2 1 370.457 0.940 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001753130438 1290620780 /nfs/dbraw/zinc/62/07/80/1290620780.db2.gz WKGPSUNDGVMUDI-SOUVJXGZSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001753130438 1290620788 /nfs/dbraw/zinc/62/07/88/1290620788.db2.gz WKGPSUNDGVMUDI-SOUVJXGZSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001753130438 1290620799 /nfs/dbraw/zinc/62/07/99/1290620799.db2.gz WKGPSUNDGVMUDI-SOUVJXGZSA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001755211392 1290643324 /nfs/dbraw/zinc/64/33/24/1290643324.db2.gz RTFWUSGRFIDHOW-XSCHDIRWSA-N 2 1 367.494 0.047 20 0 FCADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525484 1290673083 /nfs/dbraw/zinc/67/30/83/1290673083.db2.gz QMMTZGXNHZYSKN-TVFCKZIOSA-N 2 1 353.507 0.716 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C[C@H]1C ZINC001757092518 1290713491 /nfs/dbraw/zinc/71/34/91/1290713491.db2.gz HGHJZAPWAHARSG-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C[C@H]1C ZINC001757092518 1290713499 /nfs/dbraw/zinc/71/34/99/1290713499.db2.gz HGHJZAPWAHARSG-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001757092518 1290713506 /nfs/dbraw/zinc/71/35/06/1290713506.db2.gz HGHJZAPWAHARSG-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001757092518 1290713514 /nfs/dbraw/zinc/71/35/14/1290713514.db2.gz HGHJZAPWAHARSG-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001757474234 1290774500 /nfs/dbraw/zinc/77/45/00/1290774500.db2.gz ZWANWAQBBMEGPD-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001757529180 1290781792 /nfs/dbraw/zinc/78/17/92/1290781792.db2.gz UQGBQRJGHFVNLP-OAGGEKHMSA-N 2 1 367.469 0.977 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434869 1291150244 /nfs/dbraw/zinc/15/02/44/1291150244.db2.gz ZAMLZKPDNCWTNP-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434869 1291150249 /nfs/dbraw/zinc/15/02/49/1291150249.db2.gz ZAMLZKPDNCWTNP-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001649434869 1291150251 /nfs/dbraw/zinc/15/02/51/1291150251.db2.gz ZAMLZKPDNCWTNP-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)cn2)CC1 ZINC001655666188 1291480855 /nfs/dbraw/zinc/48/08/55/1291480855.db2.gz MBRWLMUKQIYMPO-CVEARBPZSA-N 2 1 367.519 0.674 20 0 FCADMP C[N@H+](CCO)CCNC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC001668429978 1291964602 /nfs/dbraw/zinc/96/46/02/1291964602.db2.gz ORTSUAAAZCBMRR-INIZCTEOSA-N 2 1 363.462 0.182 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC001668429978 1291964609 /nfs/dbraw/zinc/96/46/09/1291964609.db2.gz ORTSUAAAZCBMRR-INIZCTEOSA-N 2 1 363.462 0.182 20 0 FCADMP C[NH+](CCO)CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001668429978 1291964618 /nfs/dbraw/zinc/96/46/18/1291964618.db2.gz ORTSUAAAZCBMRR-INIZCTEOSA-N 2 1 363.462 0.182 20 0 FCADMP C[NH+](CCO)CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001668429978 1291964624 /nfs/dbraw/zinc/96/46/24/1291964624.db2.gz ORTSUAAAZCBMRR-INIZCTEOSA-N 2 1 363.462 0.182 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001685620534 1292574787 /nfs/dbraw/zinc/57/47/87/1292574787.db2.gz ZJIDFVTUWDEJNC-KSZLIROESA-N 2 1 368.522 0.510 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001689064908 1294588420 /nfs/dbraw/zinc/58/84/20/1294588420.db2.gz CLFAKMGOCCYWCS-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+][C@@H](C)COC)cc(=O)[nH]2)CC[N@H+]1C ZINC001689139209 1294623448 /nfs/dbraw/zinc/62/34/48/1294623448.db2.gz GNILXCKIJSAOFI-AEGPPILISA-N 2 1 365.478 0.653 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001689186355 1294655383 /nfs/dbraw/zinc/65/53/83/1294655383.db2.gz HOSRINCDMKLMFS-MELADBBJSA-N 2 1 355.483 0.141 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001689238905 1294700389 /nfs/dbraw/zinc/70/03/89/1294700389.db2.gz QLLVKMUHLLPFCG-KURKYZTESA-N 2 1 353.507 0.772 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001689336544 1294758145 /nfs/dbraw/zinc/75/81/45/1294758145.db2.gz SDTWVXSWRHMTJX-CABCVRRESA-N 2 1 367.494 0.287 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001689336544 1294758147 /nfs/dbraw/zinc/75/81/47/1294758147.db2.gz SDTWVXSWRHMTJX-CABCVRRESA-N 2 1 367.494 0.287 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001690514842 1294870006 /nfs/dbraw/zinc/87/00/06/1294870006.db2.gz LUBSDCHNWQXTFG-SJUNHDGSSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]32)CC[N@H+]1C ZINC001690514842 1294870019 /nfs/dbraw/zinc/87/00/19/1294870019.db2.gz LUBSDCHNWQXTFG-SJUNHDGSSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]32)CC[NH+]1C ZINC001690514842 1294870034 /nfs/dbraw/zinc/87/00/34/1294870034.db2.gz LUBSDCHNWQXTFG-SJUNHDGSSA-N 2 1 364.534 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]32)CC[NH+]1C ZINC001690514842 1294870048 /nfs/dbraw/zinc/87/00/48/1294870048.db2.gz LUBSDCHNWQXTFG-SJUNHDGSSA-N 2 1 364.534 0.924 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001690842723 1294886389 /nfs/dbraw/zinc/88/63/89/1294886389.db2.gz BHAKSDCBJAGNDW-MGPQQGTHSA-N 2 1 355.483 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001691501085 1294897207 /nfs/dbraw/zinc/89/72/07/1294897207.db2.gz DYCCGTBNBDMCPK-KLHDSHLOSA-N 2 1 367.538 0.909 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001691688828 1294912242 /nfs/dbraw/zinc/91/22/42/1294912242.db2.gz JDIVKXDDPONASQ-PBHICJAKSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001691688828 1294912250 /nfs/dbraw/zinc/91/22/50/1294912250.db2.gz JDIVKXDDPONASQ-PBHICJAKSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001691688828 1294912257 /nfs/dbraw/zinc/91/22/57/1294912257.db2.gz JDIVKXDDPONASQ-PBHICJAKSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001691688828 1294912268 /nfs/dbraw/zinc/91/22/68/1294912268.db2.gz JDIVKXDDPONASQ-PBHICJAKSA-N 2 1 371.547 0.875 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164718511 720219609 /nfs/dbraw/zinc/21/96/09/720219609.db2.gz MPLNJBUPCNDWCK-LJQANCHMSA-N 2 1 361.490 0.812 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164718511 720219613 /nfs/dbraw/zinc/21/96/13/720219613.db2.gz MPLNJBUPCNDWCK-LJQANCHMSA-N 2 1 361.490 0.812 20 0 FCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001164726645 720519946 /nfs/dbraw/zinc/51/99/46/720519946.db2.gz CIWYUPDLSWVBCV-OAHLLOKOSA-N 3 1 370.505 0.799 20 0 FCADMP [NH3+]Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740757 720821211 /nfs/dbraw/zinc/82/12/11/720821211.db2.gz LFFARPWMSNMCMM-BPQIPLTHSA-N 2 1 368.489 0.906 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077830 837614377 /nfs/dbraw/zinc/61/43/77/837614377.db2.gz MRXAJZOHADQLOJ-ZNMIVQPWSA-N 2 1 350.442 0.464 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260963 837640406 /nfs/dbraw/zinc/64/04/06/837640406.db2.gz VQYWGABIYLRYLE-PMPSAXMXSA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260963 837640408 /nfs/dbraw/zinc/64/04/08/837640408.db2.gz VQYWGABIYLRYLE-PMPSAXMXSA-N 2 1 350.467 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC[N@H+]1C ZINC001071058774 837721182 /nfs/dbraw/zinc/72/11/82/837721182.db2.gz DNEKGMVCXUYEPD-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001071205709 837736567 /nfs/dbraw/zinc/73/65/67/837736567.db2.gz SZIINLJTOFXIMG-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)O1 ZINC001071205709 837736571 /nfs/dbraw/zinc/73/65/71/837736571.db2.gz SZIINLJTOFXIMG-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265196 837737245 /nfs/dbraw/zinc/73/72/45/837737245.db2.gz AXFMTKNMRMHHSA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265196 837737249 /nfs/dbraw/zinc/73/72/49/837737249.db2.gz AXFMTKNMRMHHSA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265196 837737252 /nfs/dbraw/zinc/73/72/52/837737252.db2.gz AXFMTKNMRMHHSA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265196 837737256 /nfs/dbraw/zinc/73/72/56/837737256.db2.gz AXFMTKNMRMHHSA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@H]2CCCO2)C3)O1 ZINC001072849482 837744553 /nfs/dbraw/zinc/74/45/53/837744553.db2.gz FHZIOMXBPSDLEB-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@H]2CCCO2)C3)O1 ZINC001072849482 837744563 /nfs/dbraw/zinc/74/45/63/837744563.db2.gz FHZIOMXBPSDLEB-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC[C@H]2CCCO2)C3)O1 ZINC001072849482 837744567 /nfs/dbraw/zinc/74/45/67/837744567.db2.gz FHZIOMXBPSDLEB-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC[C@H]2CCCO2)C3)O1 ZINC001072849482 837744579 /nfs/dbraw/zinc/74/45/79/837744579.db2.gz FHZIOMXBPSDLEB-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCc2ccns2)C3)O1 ZINC001072850262 837744854 /nfs/dbraw/zinc/74/48/54/837744854.db2.gz UDDCVRPNAUMPTD-GDBMZVCRSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCc2ccns2)C3)O1 ZINC001072850262 837744861 /nfs/dbraw/zinc/74/48/61/837744861.db2.gz UDDCVRPNAUMPTD-GDBMZVCRSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCc2ccns2)C3)O1 ZINC001072850262 837744867 /nfs/dbraw/zinc/74/48/67/837744867.db2.gz UDDCVRPNAUMPTD-GDBMZVCRSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCc2ccns2)C3)O1 ZINC001072850262 837744874 /nfs/dbraw/zinc/74/48/74/837744874.db2.gz UDDCVRPNAUMPTD-GDBMZVCRSA-N 2 1 364.515 0.939 20 0 FCADMP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605336 837778204 /nfs/dbraw/zinc/77/82/04/837778204.db2.gz IHBWLSHXTZMQDZ-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099306738 844014849 /nfs/dbraw/zinc/01/48/49/844014849.db2.gz QTUALMNTJBVARJ-GHMZBOCLSA-N 2 1 350.385 0.183 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099306738 844014857 /nfs/dbraw/zinc/01/48/57/844014857.db2.gz QTUALMNTJBVARJ-GHMZBOCLSA-N 2 1 350.385 0.183 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001099317866 844019926 /nfs/dbraw/zinc/01/99/26/844019926.db2.gz TXITXUQKHLXCIY-VXGBXAGGSA-N 2 1 350.385 0.183 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001099327415 844025150 /nfs/dbraw/zinc/02/51/50/844025150.db2.gz KYOYCVDJWDNKPU-CHWSQXEVSA-N 2 1 364.412 0.571 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230775 844112049 /nfs/dbraw/zinc/11/20/49/844112049.db2.gz IWWNHHZRYJBBEW-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230775 844112055 /nfs/dbraw/zinc/11/20/55/844112055.db2.gz IWWNHHZRYJBBEW-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230775 844112060 /nfs/dbraw/zinc/11/20/60/844112060.db2.gz IWWNHHZRYJBBEW-GJYPPUQNSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268472 844126862 /nfs/dbraw/zinc/12/68/62/844126862.db2.gz COEBZGRLHCFTQQ-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268472 844126866 /nfs/dbraw/zinc/12/68/66/844126866.db2.gz COEBZGRLHCFTQQ-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268472 844126870 /nfs/dbraw/zinc/12/68/70/844126870.db2.gz COEBZGRLHCFTQQ-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101271283 844127993 /nfs/dbraw/zinc/12/79/93/844127993.db2.gz LLYKZQJBTQMDSH-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101271283 844127997 /nfs/dbraw/zinc/12/79/97/844127997.db2.gz LLYKZQJBTQMDSH-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101271283 844128002 /nfs/dbraw/zinc/12/80/02/844128002.db2.gz LLYKZQJBTQMDSH-LMMKCTJWSA-N 2 1 353.507 0.650 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101278977 844130613 /nfs/dbraw/zinc/13/06/13/844130613.db2.gz BVBYVGZFQHWDIN-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101278977 844130617 /nfs/dbraw/zinc/13/06/17/844130617.db2.gz BVBYVGZFQHWDIN-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101278977 844130622 /nfs/dbraw/zinc/13/06/22/844130622.db2.gz BVBYVGZFQHWDIN-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101277442 844131000 /nfs/dbraw/zinc/13/10/00/844131000.db2.gz IBPZVXNWOQFFOH-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747566700 836249433 /nfs/dbraw/zinc/24/94/33/836249433.db2.gz FAQKLSQOEQAEOC-OKZBNKHCSA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101320339 844146164 /nfs/dbraw/zinc/14/61/64/844146164.db2.gz KGUKINGWBBQVLV-APWZRJJASA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351324 844154774 /nfs/dbraw/zinc/15/47/74/844154774.db2.gz DFASOBKXQXWSIS-FCEWJHQRSA-N 2 1 352.523 0.879 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@@]2(C)C1 ZINC001101350724 844155031 /nfs/dbraw/zinc/15/50/31/844155031.db2.gz ACEVXIQTFQELCW-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345132 844153897 /nfs/dbraw/zinc/15/38/97/844153897.db2.gz VKNQGUHDZJOWSP-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348875 844154673 /nfs/dbraw/zinc/15/46/73/844154673.db2.gz LZTBGAZNRDROLG-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368961 844163732 /nfs/dbraw/zinc/16/37/32/844163732.db2.gz WLKGCZNXMIPHNE-CLCXKQKWSA-N 2 1 352.523 0.879 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368961 844163733 /nfs/dbraw/zinc/16/37/33/844163733.db2.gz WLKGCZNXMIPHNE-CLCXKQKWSA-N 2 1 352.523 0.879 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368961 844163736 /nfs/dbraw/zinc/16/37/36/844163736.db2.gz WLKGCZNXMIPHNE-CLCXKQKWSA-N 2 1 352.523 0.879 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000823684410 836516938 /nfs/dbraw/zinc/51/69/38/836516938.db2.gz SIRYKZXDSIWCAC-UHFFFAOYSA-N 2 1 355.504 0.825 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402459 844174951 /nfs/dbraw/zinc/17/49/51/844174951.db2.gz JZCLVZAGXDAXFU-AOIWGVFYSA-N 2 1 353.507 0.506 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441208 844187413 /nfs/dbraw/zinc/18/74/13/844187413.db2.gz NTTWBHYXVRNEFX-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441208 844187421 /nfs/dbraw/zinc/18/74/21/844187421.db2.gz NTTWBHYXVRNEFX-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101441208 844187425 /nfs/dbraw/zinc/18/74/25/844187425.db2.gz NTTWBHYXVRNEFX-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444036 844188492 /nfs/dbraw/zinc/18/84/92/844188492.db2.gz UYCMBNCHFUVVEU-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444036 844188495 /nfs/dbraw/zinc/18/84/95/844188495.db2.gz UYCMBNCHFUVVEU-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101444036 844188502 /nfs/dbraw/zinc/18/85/02/844188502.db2.gz UYCMBNCHFUVVEU-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001061621995 836701240 /nfs/dbraw/zinc/70/12/40/836701240.db2.gz JZFICWHOOJHFGI-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460667 844192498 /nfs/dbraw/zinc/19/24/98/844192498.db2.gz QXFMCRGMSJTDKD-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460667 844192502 /nfs/dbraw/zinc/19/25/02/844192502.db2.gz QXFMCRGMSJTDKD-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460667 844192503 /nfs/dbraw/zinc/19/25/03/844192503.db2.gz QXFMCRGMSJTDKD-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063721082 836783400 /nfs/dbraw/zinc/78/34/00/836783400.db2.gz DTNADZCBBMSYDP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063721082 836783408 /nfs/dbraw/zinc/78/34/08/836783408.db2.gz DTNADZCBBMSYDP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063721082 836783415 /nfs/dbraw/zinc/78/34/15/836783415.db2.gz DTNADZCBBMSYDP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376494 837842066 /nfs/dbraw/zinc/84/20/66/837842066.db2.gz VHLQDCJJRZMVHR-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376494 837842077 /nfs/dbraw/zinc/84/20/77/837842077.db2.gz VHLQDCJJRZMVHR-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)O1 ZINC001075938958 837930441 /nfs/dbraw/zinc/93/04/41/837930441.db2.gz QSUROTAGWWTZNK-CYGHRXIMSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)O1 ZINC001075938958 837930445 /nfs/dbraw/zinc/93/04/45/837930445.db2.gz QSUROTAGWWTZNK-CYGHRXIMSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)O1 ZINC001075938958 837930452 /nfs/dbraw/zinc/93/04/52/837930452.db2.gz QSUROTAGWWTZNK-CYGHRXIMSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)O1 ZINC001075938958 837930457 /nfs/dbraw/zinc/93/04/57/837930457.db2.gz QSUROTAGWWTZNK-CYGHRXIMSA-N 2 1 351.491 0.807 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001076588665 838023141 /nfs/dbraw/zinc/02/31/41/838023141.db2.gz AOLWVKVAZOKWEP-UAGQMJEPSA-N 2 1 364.515 0.939 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001076588665 838023152 /nfs/dbraw/zinc/02/31/52/838023152.db2.gz AOLWVKVAZOKWEP-UAGQMJEPSA-N 2 1 364.515 0.939 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001076588665 838023165 /nfs/dbraw/zinc/02/31/65/838023165.db2.gz AOLWVKVAZOKWEP-UAGQMJEPSA-N 2 1 364.515 0.939 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001076588665 838023174 /nfs/dbraw/zinc/02/31/74/838023174.db2.gz AOLWVKVAZOKWEP-UAGQMJEPSA-N 2 1 364.515 0.939 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001077023885 838222087 /nfs/dbraw/zinc/22/20/87/838222087.db2.gz YGPFMTCYGJJQCK-NMFUWQPSSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001077023885 838222096 /nfs/dbraw/zinc/22/20/96/838222096.db2.gz YGPFMTCYGJJQCK-NMFUWQPSSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001077023885 838222104 /nfs/dbraw/zinc/22/21/04/838222104.db2.gz YGPFMTCYGJJQCK-NMFUWQPSSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001077023885 838222113 /nfs/dbraw/zinc/22/21/13/838222113.db2.gz YGPFMTCYGJJQCK-NMFUWQPSSA-N 2 1 352.504 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001101982776 844360135 /nfs/dbraw/zinc/36/01/35/844360135.db2.gz JDACMEMMJLTUDL-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982776 844360152 /nfs/dbraw/zinc/36/01/52/844360152.db2.gz JDACMEMMJLTUDL-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976190 844356648 /nfs/dbraw/zinc/35/66/48/844356648.db2.gz NYYAEEAEIKWBPB-NXHRZFHOSA-N 2 1 353.507 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982776 844360164 /nfs/dbraw/zinc/36/01/64/844360164.db2.gz JDACMEMMJLTUDL-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981631 844361047 /nfs/dbraw/zinc/36/10/47/844361047.db2.gz LFCAGTOKNKLEOL-HZPDHXFCSA-N 2 1 351.495 0.779 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982853 844361191 /nfs/dbraw/zinc/36/11/91/844361191.db2.gz NNMIMACLDKQAED-QBPKDAKJSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982853 844361203 /nfs/dbraw/zinc/36/12/03/844361203.db2.gz NNMIMACLDKQAED-QBPKDAKJSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982853 844361210 /nfs/dbraw/zinc/36/12/10/844361210.db2.gz NNMIMACLDKQAED-QBPKDAKJSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128942 838753541 /nfs/dbraw/zinc/75/35/41/838753541.db2.gz LPRSHUCSGDEEBE-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128942 838753547 /nfs/dbraw/zinc/75/35/47/838753547.db2.gz LPRSHUCSGDEEBE-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128942 838753552 /nfs/dbraw/zinc/75/35/52/838753552.db2.gz LPRSHUCSGDEEBE-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219295 838822526 /nfs/dbraw/zinc/82/25/26/838822526.db2.gz PIOFKTXBYWQMPH-BRWVUGGUSA-N 2 1 351.491 0.593 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C ZINC001102015958 844374711 /nfs/dbraw/zinc/37/47/11/844374711.db2.gz WQXWGJLOFFEOME-KFWWJZLASA-N 2 1 354.474 0.679 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C ZINC001102015958 844374720 /nfs/dbraw/zinc/37/47/20/844374720.db2.gz WQXWGJLOFFEOME-KFWWJZLASA-N 2 1 354.474 0.679 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566626 839041577 /nfs/dbraw/zinc/04/15/77/839041577.db2.gz IFJHOZSEPXADLX-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566626 839041586 /nfs/dbraw/zinc/04/15/86/839041586.db2.gz IFJHOZSEPXADLX-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566626 839041597 /nfs/dbraw/zinc/04/15/97/839041597.db2.gz IFJHOZSEPXADLX-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2O)C1 ZINC001077566626 839041606 /nfs/dbraw/zinc/04/16/06/839041606.db2.gz IFJHOZSEPXADLX-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566679 839042091 /nfs/dbraw/zinc/04/20/91/839042091.db2.gz KLIGRLFYJRSQLV-KFWWJZLASA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566679 839042107 /nfs/dbraw/zinc/04/21/07/839042107.db2.gz KLIGRLFYJRSQLV-KFWWJZLASA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566679 839042122 /nfs/dbraw/zinc/04/21/22/839042122.db2.gz KLIGRLFYJRSQLV-KFWWJZLASA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566679 839042134 /nfs/dbraw/zinc/04/21/34/839042134.db2.gz KLIGRLFYJRSQLV-KFWWJZLASA-N 2 1 361.433 0.302 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618906 839072561 /nfs/dbraw/zinc/07/25/61/839072561.db2.gz VFIHCYANLORGQP-HUUCEWRRSA-N 2 1 352.504 0.497 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001102066075 844402000 /nfs/dbraw/zinc/40/20/00/844402000.db2.gz DVFHBZVMSBURDR-NUJGCVRESA-N 2 1 352.523 0.879 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077779169 839153712 /nfs/dbraw/zinc/15/37/12/839153712.db2.gz FYUHURIQWVYAAW-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078880 844406506 /nfs/dbraw/zinc/40/65/06/844406506.db2.gz NAZDARFMKPMCPF-HZPDHXFCSA-N 2 1 350.507 0.683 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175566 839382705 /nfs/dbraw/zinc/38/27/05/839382705.db2.gz BFGZHAUBZJIYAI-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175566 839382720 /nfs/dbraw/zinc/38/27/20/839382720.db2.gz BFGZHAUBZJIYAI-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175566 839382733 /nfs/dbraw/zinc/38/27/33/839382733.db2.gz BFGZHAUBZJIYAI-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175566 839382744 /nfs/dbraw/zinc/38/27/44/839382744.db2.gz BFGZHAUBZJIYAI-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079227336 839495064 /nfs/dbraw/zinc/49/50/64/839495064.db2.gz NWGRXHONNVUXFL-GVDBMIGSSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079718781 839579954 /nfs/dbraw/zinc/57/99/54/839579954.db2.gz XBGUCJUYVILUIZ-DDBAPUKQSA-N 2 1 353.507 0.552 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001079808185 839597403 /nfs/dbraw/zinc/59/74/03/839597403.db2.gz IEGVTIOBRRTUKH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290830 844459525 /nfs/dbraw/zinc/45/95/25/844459525.db2.gz WNMGZNDIGWBLSY-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080441687 839724409 /nfs/dbraw/zinc/72/44/09/839724409.db2.gz VKFPPMXDNBMAAP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080441687 839724419 /nfs/dbraw/zinc/72/44/19/839724419.db2.gz VKFPPMXDNBMAAP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080441687 839724428 /nfs/dbraw/zinc/72/44/28/839724428.db2.gz VKFPPMXDNBMAAP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080441687 839724439 /nfs/dbraw/zinc/72/44/39/839724439.db2.gz VKFPPMXDNBMAAP-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080441686 839725145 /nfs/dbraw/zinc/72/51/45/839725145.db2.gz VKFPPMXDNBMAAP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080441686 839725146 /nfs/dbraw/zinc/72/51/46/839725146.db2.gz VKFPPMXDNBMAAP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080441686 839725151 /nfs/dbraw/zinc/72/51/51/839725151.db2.gz VKFPPMXDNBMAAP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080441686 839725154 /nfs/dbraw/zinc/72/51/54/839725154.db2.gz VKFPPMXDNBMAAP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001080705047 839780116 /nfs/dbraw/zinc/78/01/16/839780116.db2.gz ZJPNYZLQSLGFDU-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787496 839799459 /nfs/dbraw/zinc/79/94/59/839799459.db2.gz CHAMZIOFVIPSMZ-OWCLPIDISA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787496 839799463 /nfs/dbraw/zinc/79/94/63/839799463.db2.gz CHAMZIOFVIPSMZ-OWCLPIDISA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102373571 844478662 /nfs/dbraw/zinc/47/86/62/844478662.db2.gz ALQPSSCRODOUAK-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102373571 844478671 /nfs/dbraw/zinc/47/86/71/844478671.db2.gz ALQPSSCRODOUAK-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102373571 844478677 /nfs/dbraw/zinc/47/86/77/844478677.db2.gz ALQPSSCRODOUAK-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481794 839941763 /nfs/dbraw/zinc/94/17/63/839941763.db2.gz WIFXUPMVJZKJMJ-BRWVUGGUSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481794 839941765 /nfs/dbraw/zinc/94/17/65/839941765.db2.gz WIFXUPMVJZKJMJ-BRWVUGGUSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481794 839941770 /nfs/dbraw/zinc/94/17/70/839941770.db2.gz WIFXUPMVJZKJMJ-BRWVUGGUSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481794 839941774 /nfs/dbraw/zinc/94/17/74/839941774.db2.gz WIFXUPMVJZKJMJ-BRWVUGGUSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894062 840090295 /nfs/dbraw/zinc/09/02/95/840090295.db2.gz JVKBCSOVZFPMNR-GVDBMIGSSA-N 2 1 351.491 0.999 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949460 840119150 /nfs/dbraw/zinc/11/91/50/840119150.db2.gz QGZZUFVRAADFLS-GVDBMIGSSA-N 2 1 350.463 0.966 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949460 840119154 /nfs/dbraw/zinc/11/91/54/840119154.db2.gz QGZZUFVRAADFLS-GVDBMIGSSA-N 2 1 350.463 0.966 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466684 844510439 /nfs/dbraw/zinc/51/04/39/844510439.db2.gz QSMQFFNHMDRAOO-OIISXLGYSA-N 2 1 352.479 0.663 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466684 844510451 /nfs/dbraw/zinc/51/04/51/844510451.db2.gz QSMQFFNHMDRAOO-OIISXLGYSA-N 2 1 352.479 0.663 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095779 840183379 /nfs/dbraw/zinc/18/33/79/840183379.db2.gz IGIMLHONHBBIKM-HZPDHXFCSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095779 840183383 /nfs/dbraw/zinc/18/33/83/840183383.db2.gz IGIMLHONHBBIKM-HZPDHXFCSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271693 840268503 /nfs/dbraw/zinc/26/85/03/840268503.db2.gz NZMZKOPEWUSAOD-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271693 840268514 /nfs/dbraw/zinc/26/85/14/840268514.db2.gz NZMZKOPEWUSAOD-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290057 840280290 /nfs/dbraw/zinc/28/02/90/840280290.db2.gz HARGRIUKRMKWHH-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497487 844531111 /nfs/dbraw/zinc/53/11/11/844531111.db2.gz VIBWUFSKLGQSFK-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497487 844531114 /nfs/dbraw/zinc/53/11/14/844531114.db2.gz VIBWUFSKLGQSFK-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102497487 844531117 /nfs/dbraw/zinc/53/11/17/844531117.db2.gz VIBWUFSKLGQSFK-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082448292 840414845 /nfs/dbraw/zinc/41/48/45/840414845.db2.gz KYIONDCQVIYAPW-JHJVBQTASA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082448292 840414853 /nfs/dbraw/zinc/41/48/53/840414853.db2.gz KYIONDCQVIYAPW-JHJVBQTASA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082561581 840466149 /nfs/dbraw/zinc/46/61/49/840466149.db2.gz CEZLXLAFSVZXJR-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1C ZINC001102511373 844542132 /nfs/dbraw/zinc/54/21/32/844542132.db2.gz USBVEIXUPKDUOJ-GDBMZVCRSA-N 2 1 351.495 0.491 20 0 FCADMP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511182 844542493 /nfs/dbraw/zinc/54/24/93/844542493.db2.gz MQMBBYBWYPHOAA-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511182 844542497 /nfs/dbraw/zinc/54/24/97/844542497.db2.gz MQMBBYBWYPHOAA-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513756 844544843 /nfs/dbraw/zinc/54/48/43/844544843.db2.gz AEVXYDFYPJBXTJ-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513754 844544917 /nfs/dbraw/zinc/54/49/17/844544917.db2.gz ADRRJCLXSLEHRH-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513754 844544918 /nfs/dbraw/zinc/54/49/18/844544918.db2.gz ADRRJCLXSLEHRH-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513754 844544921 /nfs/dbraw/zinc/54/49/21/844544921.db2.gz ADRRJCLXSLEHRH-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513954 844544929 /nfs/dbraw/zinc/54/49/29/844544929.db2.gz HHDYNQQTBPDPHR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513954 844544932 /nfs/dbraw/zinc/54/49/32/844544932.db2.gz HHDYNQQTBPDPHR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513954 844544934 /nfs/dbraw/zinc/54/49/34/844544934.db2.gz HHDYNQQTBPDPHR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001082646834 840510343 /nfs/dbraw/zinc/51/03/43/840510343.db2.gz XBKJJIGQIGMBOP-IUODEOHRSA-N 2 1 363.487 0.860 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccns1 ZINC001082653618 840513146 /nfs/dbraw/zinc/51/31/46/840513146.db2.gz UGOZFGBBTJNFMZ-DNBFMWSQSA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082742257 840542935 /nfs/dbraw/zinc/54/29/35/840542935.db2.gz YPFDSHVEMGOVDX-RRFJBIMHSA-N 2 1 352.458 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082742257 840542949 /nfs/dbraw/zinc/54/29/49/840542949.db2.gz YPFDSHVEMGOVDX-RRFJBIMHSA-N 2 1 352.458 0.526 20 0 FCADMP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082744187 840544614 /nfs/dbraw/zinc/54/46/14/840544614.db2.gz WTWHVHBFYTUKJB-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001082828841 840577238 /nfs/dbraw/zinc/57/72/38/840577238.db2.gz LSPHCYRJICVSRI-IUODEOHRSA-N 2 1 350.467 0.160 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102525274 844553955 /nfs/dbraw/zinc/55/39/55/844553955.db2.gz UJUBKSYTGVLDNM-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102525274 844553958 /nfs/dbraw/zinc/55/39/58/844553958.db2.gz UJUBKSYTGVLDNM-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102525274 844553959 /nfs/dbraw/zinc/55/39/59/844553959.db2.gz UJUBKSYTGVLDNM-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082863292 840587909 /nfs/dbraw/zinc/58/79/09/840587909.db2.gz YVUKHGYCHHGWNF-ZIAGYGMSSA-N 2 1 350.442 0.280 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082919961 840602441 /nfs/dbraw/zinc/60/24/41/840602441.db2.gz LNUOVMICSLFFSM-FRRDWIJNSA-N 2 1 356.421 0.431 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082919961 840602448 /nfs/dbraw/zinc/60/24/48/840602448.db2.gz LNUOVMICSLFFSM-FRRDWIJNSA-N 2 1 356.421 0.431 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082921807 840603934 /nfs/dbraw/zinc/60/39/34/840603934.db2.gz LCPMFEOPJBHDBC-CHWSQXEVSA-N 2 1 356.421 0.576 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192845 840786342 /nfs/dbraw/zinc/78/63/42/840786342.db2.gz RECZCSAVJXZIDZ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192845 840786346 /nfs/dbraw/zinc/78/63/46/840786346.db2.gz RECZCSAVJXZIDZ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192845 840786351 /nfs/dbraw/zinc/78/63/51/840786351.db2.gz RECZCSAVJXZIDZ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083192845 840786356 /nfs/dbraw/zinc/78/63/56/840786356.db2.gz RECZCSAVJXZIDZ-HYVNUMGLSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579860 844574620 /nfs/dbraw/zinc/57/46/20/844574620.db2.gz UKWGZMHZZHASSK-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083213830 840801434 /nfs/dbraw/zinc/80/14/34/840801434.db2.gz UQXXIGZNQMPRPC-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248290 840831675 /nfs/dbraw/zinc/83/16/75/840831675.db2.gz YYRPCTCYEZZBNO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248290 840831687 /nfs/dbraw/zinc/83/16/87/840831687.db2.gz YYRPCTCYEZZBNO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248290 840831700 /nfs/dbraw/zinc/83/17/00/840831700.db2.gz YYRPCTCYEZZBNO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cs1 ZINC001083274681 840855265 /nfs/dbraw/zinc/85/52/65/840855265.db2.gz VQMQHUHYRLYKDG-HYVNUMGLSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cs1 ZINC001083274681 840855271 /nfs/dbraw/zinc/85/52/71/840855271.db2.gz VQMQHUHYRLYKDG-HYVNUMGLSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cs1 ZINC001083274681 840855283 /nfs/dbraw/zinc/85/52/83/840855283.db2.gz VQMQHUHYRLYKDG-HYVNUMGLSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cs1 ZINC001083274681 840855295 /nfs/dbraw/zinc/85/52/95/840855295.db2.gz VQMQHUHYRLYKDG-HYVNUMGLSA-N 2 1 364.515 0.857 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083274823 840856669 /nfs/dbraw/zinc/85/66/69/840856669.db2.gz AZZIGPWKLJIKFJ-YESZJQIVSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083276038 840859391 /nfs/dbraw/zinc/85/93/91/840859391.db2.gz JPDICSIXUQDWTG-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083276038 840859399 /nfs/dbraw/zinc/85/93/99/840859399.db2.gz JPDICSIXUQDWTG-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600817 844592900 /nfs/dbraw/zinc/59/29/00/844592900.db2.gz WTIPXWNYARJWHX-ZACQAIPSSA-N 2 1 359.511 0.035 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600817 844592907 /nfs/dbraw/zinc/59/29/07/844592907.db2.gz WTIPXWNYARJWHX-ZACQAIPSSA-N 2 1 359.511 0.035 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600817 844592916 /nfs/dbraw/zinc/59/29/16/844592916.db2.gz WTIPXWNYARJWHX-ZACQAIPSSA-N 2 1 359.511 0.035 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083455452 841021358 /nfs/dbraw/zinc/02/13/58/841021358.db2.gz DJDMUBZFQSMHFV-OAGGEKHMSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083455452 841021362 /nfs/dbraw/zinc/02/13/62/841021362.db2.gz DJDMUBZFQSMHFV-OAGGEKHMSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083455452 841021367 /nfs/dbraw/zinc/02/13/67/841021367.db2.gz DJDMUBZFQSMHFV-OAGGEKHMSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083455452 841021369 /nfs/dbraw/zinc/02/13/69/841021369.db2.gz DJDMUBZFQSMHFV-OAGGEKHMSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460339 841026921 /nfs/dbraw/zinc/02/69/21/841026921.db2.gz BYTXYCTVXMDCJT-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523338 841121886 /nfs/dbraw/zinc/12/18/86/841121886.db2.gz ZBQOSRZVMZDCHR-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523338 841121891 /nfs/dbraw/zinc/12/18/91/841121891.db2.gz ZBQOSRZVMZDCHR-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523338 841121896 /nfs/dbraw/zinc/12/18/96/841121896.db2.gz ZBQOSRZVMZDCHR-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523338 841121903 /nfs/dbraw/zinc/12/19/03/841121903.db2.gz ZBQOSRZVMZDCHR-SQNIBIBYSA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083594039 841211366 /nfs/dbraw/zinc/21/13/66/841211366.db2.gz JCGGJTUKXTXSLX-ZACQAIPSSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083594039 841211373 /nfs/dbraw/zinc/21/13/73/841211373.db2.gz JCGGJTUKXTXSLX-ZACQAIPSSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083594039 841211382 /nfs/dbraw/zinc/21/13/82/841211382.db2.gz JCGGJTUKXTXSLX-ZACQAIPSSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083594039 841211389 /nfs/dbraw/zinc/21/13/89/841211389.db2.gz JCGGJTUKXTXSLX-ZACQAIPSSA-N 2 1 366.531 0.967 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719538 841352936 /nfs/dbraw/zinc/35/29/36/841352936.db2.gz IPZRPNANFJRGCL-UAGQMJEPSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719538 841352944 /nfs/dbraw/zinc/35/29/44/841352944.db2.gz IPZRPNANFJRGCL-UAGQMJEPSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719538 841352957 /nfs/dbraw/zinc/35/29/57/841352957.db2.gz IPZRPNANFJRGCL-UAGQMJEPSA-N 2 1 366.531 0.969 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083719538 841352970 /nfs/dbraw/zinc/35/29/70/841352970.db2.gz IPZRPNANFJRGCL-UAGQMJEPSA-N 2 1 366.531 0.969 20 0 FCADMP O=C1COCC2(CN(CC3CCSCC3)C2)N1CCn1ccnc1 ZINC001275777928 861192791 /nfs/dbraw/zinc/19/27/91/861192791.db2.gz UBOQJVBJJQPFRK-UHFFFAOYSA-N 2 1 350.488 0.940 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782793 841432022 /nfs/dbraw/zinc/43/20/22/841432022.db2.gz LZILYPAUQDNKRZ-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782793 841432027 /nfs/dbraw/zinc/43/20/27/841432027.db2.gz LZILYPAUQDNKRZ-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CCC1 ZINC001083782793 841432033 /nfs/dbraw/zinc/43/20/33/841432033.db2.gz LZILYPAUQDNKRZ-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083887933 841536875 /nfs/dbraw/zinc/53/68/75/841536875.db2.gz RZERTKAVGCAZLK-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083887933 841536885 /nfs/dbraw/zinc/53/68/85/841536885.db2.gz RZERTKAVGCAZLK-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954433 841600700 /nfs/dbraw/zinc/60/07/00/841600700.db2.gz ZMEHNDNPHRMDJP-KFWWJZLASA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954433 841600711 /nfs/dbraw/zinc/60/07/11/841600711.db2.gz ZMEHNDNPHRMDJP-KFWWJZLASA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954433 841600719 /nfs/dbraw/zinc/60/07/19/841600719.db2.gz ZMEHNDNPHRMDJP-KFWWJZLASA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cs1 ZINC001083954248 841601753 /nfs/dbraw/zinc/60/17/53/841601753.db2.gz QYXXKHZNDOOHGG-BMFZPTHFSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cs1 ZINC001083954248 841601758 /nfs/dbraw/zinc/60/17/58/841601758.db2.gz QYXXKHZNDOOHGG-BMFZPTHFSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cs1 ZINC001083954248 841601762 /nfs/dbraw/zinc/60/17/62/841601762.db2.gz QYXXKHZNDOOHGG-BMFZPTHFSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cs1 ZINC001083954248 841601767 /nfs/dbraw/zinc/60/17/67/841601767.db2.gz QYXXKHZNDOOHGG-BMFZPTHFSA-N 2 1 352.504 0.497 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833535 861219407 /nfs/dbraw/zinc/21/94/07/861219407.db2.gz JQQRBMNVWLDYPI-HNAYVOBHSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078034 841688085 /nfs/dbraw/zinc/68/80/85/841688085.db2.gz KTFKRFYIBGMCTA-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078034 841688089 /nfs/dbraw/zinc/68/80/89/841688089.db2.gz KTFKRFYIBGMCTA-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078034 841688095 /nfs/dbraw/zinc/68/80/95/841688095.db2.gz KTFKRFYIBGMCTA-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078034 841688100 /nfs/dbraw/zinc/68/81/00/841688100.db2.gz KTFKRFYIBGMCTA-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078163 841688347 /nfs/dbraw/zinc/68/83/47/841688347.db2.gz OSNAENSSWRFLEF-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078163 841688350 /nfs/dbraw/zinc/68/83/50/841688350.db2.gz OSNAENSSWRFLEF-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078163 841688352 /nfs/dbraw/zinc/68/83/52/841688352.db2.gz OSNAENSSWRFLEF-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2O)C1 ZINC001084078163 841688353 /nfs/dbraw/zinc/68/83/53/841688353.db2.gz OSNAENSSWRFLEF-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275879868 861243287 /nfs/dbraw/zinc/24/32/87/861243287.db2.gz QMFPPDKCAOONOO-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275879868 861243323 /nfs/dbraw/zinc/24/33/23/861243323.db2.gz QMFPPDKCAOONOO-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275879868 861243339 /nfs/dbraw/zinc/24/33/39/861243339.db2.gz QMFPPDKCAOONOO-IEBWSBKVSA-N 2 1 353.507 0.916 20 0 FCADMP COC(CN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881237 861247506 /nfs/dbraw/zinc/24/75/06/861247506.db2.gz YIUZQTQWIJMQJO-QAPCUYQASA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O)OC ZINC001275881237 861247521 /nfs/dbraw/zinc/24/75/21/861247521.db2.gz YIUZQTQWIJMQJO-QAPCUYQASA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O)OC ZINC001275881237 861247530 /nfs/dbraw/zinc/24/75/30/861247530.db2.gz YIUZQTQWIJMQJO-QAPCUYQASA-N 2 1 355.479 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)CC[N@@H+]1C ZINC001084943834 841964196 /nfs/dbraw/zinc/96/41/96/841964196.db2.gz BYKSSJDGJVSBQC-FPCVCCKLSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)CC[N@H+]1C ZINC001084943834 841964207 /nfs/dbraw/zinc/96/42/07/841964207.db2.gz BYKSSJDGJVSBQC-FPCVCCKLSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001084943834 841964216 /nfs/dbraw/zinc/96/42/16/841964216.db2.gz BYKSSJDGJVSBQC-FPCVCCKLSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001084943834 841964224 /nfs/dbraw/zinc/96/42/24/841964224.db2.gz BYKSSJDGJVSBQC-FPCVCCKLSA-N 2 1 357.520 0.294 20 0 FCADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084957734 841968889 /nfs/dbraw/zinc/96/88/89/841968889.db2.gz TYWCIVUDSBXODX-NJAFHUGGSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084957734 841968895 /nfs/dbraw/zinc/96/88/95/841968895.db2.gz TYWCIVUDSBXODX-NJAFHUGGSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084957734 841968902 /nfs/dbraw/zinc/96/89/02/841968902.db2.gz TYWCIVUDSBXODX-NJAFHUGGSA-N 2 1 351.491 0.545 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957695 841970127 /nfs/dbraw/zinc/97/01/27/841970127.db2.gz QTGHDMQLFNJPEV-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957695 841970136 /nfs/dbraw/zinc/97/01/36/841970136.db2.gz QTGHDMQLFNJPEV-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957695 841970140 /nfs/dbraw/zinc/97/01/40/841970140.db2.gz QTGHDMQLFNJPEV-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC[N@H+]1C ZINC001086091493 842120334 /nfs/dbraw/zinc/12/03/34/842120334.db2.gz APOTUOQVYICSHN-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086371335 842128259 /nfs/dbraw/zinc/12/82/59/842128259.db2.gz CHYDVPVEZDGIGI-ZHCJQAHYSA-N 2 1 371.547 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC001086370891 842128491 /nfs/dbraw/zinc/12/84/91/842128491.db2.gz DMVIASAYEGDYJC-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC[N@H+]1C ZINC001086370818 842128669 /nfs/dbraw/zinc/12/86/69/842128669.db2.gz APOTUOQVYICSHN-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001086659423 842143722 /nfs/dbraw/zinc/14/37/22/842143722.db2.gz VRIMUYBEYGLLLS-GVDBMIGSSA-N 2 1 371.547 0.780 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001086664882 842145531 /nfs/dbraw/zinc/14/55/31/842145531.db2.gz HVQTWQUSWHYOJD-XKQJLSEDSA-N 2 1 350.438 0.926 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001086664882 842145541 /nfs/dbraw/zinc/14/55/41/842145541.db2.gz HVQTWQUSWHYOJD-XKQJLSEDSA-N 2 1 350.438 0.926 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)sn1 ZINC001086665077 842146413 /nfs/dbraw/zinc/14/64/13/842146413.db2.gz PLKWWYINQZIDMG-GZBFAFLISA-N 2 1 368.503 0.857 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)sn1 ZINC001086665077 842146417 /nfs/dbraw/zinc/14/64/17/842146417.db2.gz PLKWWYINQZIDMG-GZBFAFLISA-N 2 1 368.503 0.857 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086695137 842152944 /nfs/dbraw/zinc/15/29/44/842152944.db2.gz COXKLRGVMTUMMA-GVDBMIGSSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001086700259 842153654 /nfs/dbraw/zinc/15/36/54/842153654.db2.gz GYNCPTIUKCNSGA-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001086875562 842186830 /nfs/dbraw/zinc/18/68/30/842186830.db2.gz XIBXGVLOWSZVCA-SOUVJXGZSA-N 2 1 352.458 0.574 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087100857 842289471 /nfs/dbraw/zinc/28/94/71/842289471.db2.gz IGBOWTPVAIXGIO-RCCFBDPRSA-N 2 1 353.507 0.818 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCN1CCNC1=O ZINC001087725939 842415701 /nfs/dbraw/zinc/41/57/01/842415701.db2.gz LFPPFVURRJEIBF-HRCADAONSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCN1CCNC1=O ZINC001087725939 842415705 /nfs/dbraw/zinc/41/57/05/842415705.db2.gz LFPPFVURRJEIBF-HRCADAONSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCN1CCNC1=O ZINC001087725939 842415709 /nfs/dbraw/zinc/41/57/09/842415709.db2.gz LFPPFVURRJEIBF-HRCADAONSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCN1CCCC1=O ZINC001087726672 842416830 /nfs/dbraw/zinc/41/68/30/842416830.db2.gz NYDXRVAXNGKPOS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087726672 842416838 /nfs/dbraw/zinc/41/68/38/842416838.db2.gz NYDXRVAXNGKPOS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087726672 842416841 /nfs/dbraw/zinc/41/68/41/842416841.db2.gz NYDXRVAXNGKPOS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc(O)cc3F)C2)OCC1=O ZINC001276081437 861311406 /nfs/dbraw/zinc/31/14/06/861311406.db2.gz LDHMGWHRKMBHPW-GOSISDBHSA-N 2 1 351.422 0.896 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3F)C2)OCC1=O ZINC001276081437 861311426 /nfs/dbraw/zinc/31/14/26/861311426.db2.gz LDHMGWHRKMBHPW-GOSISDBHSA-N 2 1 351.422 0.896 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920328 842471293 /nfs/dbraw/zinc/47/12/93/842471293.db2.gz LEQJMRSIWRZDFG-SOLBZPMBSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920328 842471296 /nfs/dbraw/zinc/47/12/96/842471296.db2.gz LEQJMRSIWRZDFG-SOLBZPMBSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920328 842471301 /nfs/dbraw/zinc/47/13/01/842471301.db2.gz LEQJMRSIWRZDFG-SOLBZPMBSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920328 842471308 /nfs/dbraw/zinc/47/13/08/842471308.db2.gz LEQJMRSIWRZDFG-SOLBZPMBSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999754 842496711 /nfs/dbraw/zinc/49/67/11/842496711.db2.gz YRMGXDWIGAKIEY-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999754 842496719 /nfs/dbraw/zinc/49/67/19/842496719.db2.gz YRMGXDWIGAKIEY-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999754 842496725 /nfs/dbraw/zinc/49/67/25/842496725.db2.gz YRMGXDWIGAKIEY-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087999754 842496728 /nfs/dbraw/zinc/49/67/28/842496728.db2.gz YRMGXDWIGAKIEY-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077152 842524973 /nfs/dbraw/zinc/52/49/73/842524973.db2.gz LSLHERRNYOUBSM-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077152 842524976 /nfs/dbraw/zinc/52/49/76/842524976.db2.gz LSLHERRNYOUBSM-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)CC[C@@H]3C2)C1 ZINC001088077152 842524981 /nfs/dbraw/zinc/52/49/81/842524981.db2.gz LSLHERRNYOUBSM-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090867 842530166 /nfs/dbraw/zinc/53/01/66/842530166.db2.gz JRXNHNUFWQGQHE-OIISXLGYSA-N 2 1 350.507 0.585 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088104923 842531201 /nfs/dbraw/zinc/53/12/01/842531201.db2.gz IXVOCCDVKKRUIR-CVEARBPZSA-N 2 1 371.547 0.543 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088104923 842531209 /nfs/dbraw/zinc/53/12/09/842531209.db2.gz IXVOCCDVKKRUIR-CVEARBPZSA-N 2 1 371.547 0.543 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088104923 842531215 /nfs/dbraw/zinc/53/12/15/842531215.db2.gz IXVOCCDVKKRUIR-CVEARBPZSA-N 2 1 371.547 0.543 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088104923 842531223 /nfs/dbraw/zinc/53/12/23/842531223.db2.gz IXVOCCDVKKRUIR-CVEARBPZSA-N 2 1 371.547 0.543 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130191 842538068 /nfs/dbraw/zinc/53/80/68/842538068.db2.gz AEIILDJCFUNORX-IXDOHACOSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001088130624 842539662 /nfs/dbraw/zinc/53/96/62/842539662.db2.gz XTHYXRSJRIQSLU-SJORKVTESA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001088130624 842539666 /nfs/dbraw/zinc/53/96/66/842539666.db2.gz XTHYXRSJRIQSLU-SJORKVTESA-N 2 1 371.547 0.543 20 0 FCADMP CC[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1)OC ZINC001088140229 842543035 /nfs/dbraw/zinc/54/30/35/842543035.db2.gz AJDMZDQPNLZVPZ-SQNIBIBYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1)OC ZINC001088140229 842543044 /nfs/dbraw/zinc/54/30/44/842543044.db2.gz AJDMZDQPNLZVPZ-SQNIBIBYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1)OC ZINC001088140228 842543608 /nfs/dbraw/zinc/54/36/08/842543608.db2.gz AJDMZDQPNLZVPZ-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1)OC ZINC001088140228 842543614 /nfs/dbraw/zinc/54/36/14/842543614.db2.gz AJDMZDQPNLZVPZ-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150761 842544649 /nfs/dbraw/zinc/54/46/49/842544649.db2.gz UNAYFMXAPNKLHR-BBWFWOEESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001088577789 842617054 /nfs/dbraw/zinc/61/70/54/842617054.db2.gz PBFWROVEVXJADX-SRABZTEZSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001088577789 842617058 /nfs/dbraw/zinc/61/70/58/842617058.db2.gz PBFWROVEVXJADX-SRABZTEZSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088577789 842617059 /nfs/dbraw/zinc/61/70/59/842617059.db2.gz PBFWROVEVXJADX-SRABZTEZSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577789 842617064 /nfs/dbraw/zinc/61/70/64/842617064.db2.gz PBFWROVEVXJADX-SRABZTEZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579098 842617328 /nfs/dbraw/zinc/61/73/28/842617328.db2.gz NOHAJGWLJWHJHQ-BSWAZPDLSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@@H]2C)CC[N@H+]1C ZINC001088579098 842617333 /nfs/dbraw/zinc/61/73/33/842617333.db2.gz NOHAJGWLJWHJHQ-BSWAZPDLSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)CC[NH+]1C ZINC001088579098 842617339 /nfs/dbraw/zinc/61/73/39/842617339.db2.gz NOHAJGWLJWHJHQ-BSWAZPDLSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)CC[NH+]1C ZINC001088579098 842617342 /nfs/dbraw/zinc/61/73/42/842617342.db2.gz NOHAJGWLJWHJHQ-BSWAZPDLSA-N 2 1 350.507 0.917 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088605646 842625708 /nfs/dbraw/zinc/62/57/08/842625708.db2.gz ZKUHIXHMKOSMGP-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088605646 842625714 /nfs/dbraw/zinc/62/57/14/842625714.db2.gz ZKUHIXHMKOSMGP-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088605646 842625719 /nfs/dbraw/zinc/62/57/19/842625719.db2.gz ZKUHIXHMKOSMGP-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620744 842632344 /nfs/dbraw/zinc/63/23/44/842632344.db2.gz ZJWCBROXXGXTMS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620744 842632350 /nfs/dbraw/zinc/63/23/50/842632350.db2.gz ZJWCBROXXGXTMS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620744 842632356 /nfs/dbraw/zinc/63/23/56/842632356.db2.gz ZJWCBROXXGXTMS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088620744 842632362 /nfs/dbraw/zinc/63/23/62/842632362.db2.gz ZJWCBROXXGXTMS-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088816399 842685847 /nfs/dbraw/zinc/68/58/47/842685847.db2.gz AKMWKBOQQKPHFU-IVSAIRAKSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088816399 842685856 /nfs/dbraw/zinc/68/58/56/842685856.db2.gz AKMWKBOQQKPHFU-IVSAIRAKSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001088816399 842685862 /nfs/dbraw/zinc/68/58/62/842685862.db2.gz AKMWKBOQQKPHFU-IVSAIRAKSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001088816399 842685871 /nfs/dbraw/zinc/68/58/71/842685871.db2.gz AKMWKBOQQKPHFU-IVSAIRAKSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088858675 842697775 /nfs/dbraw/zinc/69/77/75/842697775.db2.gz OFKCAMDGFJZJAV-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088858675 842697781 /nfs/dbraw/zinc/69/77/81/842697781.db2.gz OFKCAMDGFJZJAV-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088858675 842697786 /nfs/dbraw/zinc/69/77/86/842697786.db2.gz OFKCAMDGFJZJAV-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@@H]2C)C1 ZINC001088860480 842698376 /nfs/dbraw/zinc/69/83/76/842698376.db2.gz NITSVWGHBVNOAL-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@@H]2C)C1 ZINC001088860480 842698378 /nfs/dbraw/zinc/69/83/78/842698378.db2.gz NITSVWGHBVNOAL-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C)C1 ZINC001088860480 842698385 /nfs/dbraw/zinc/69/83/85/842698385.db2.gz NITSVWGHBVNOAL-KFWWJZLASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088899162 842710050 /nfs/dbraw/zinc/71/00/50/842710050.db2.gz PKJZBQCGGCCNBA-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088899162 842710054 /nfs/dbraw/zinc/71/00/54/842710054.db2.gz PKJZBQCGGCCNBA-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088980869 842734698 /nfs/dbraw/zinc/73/46/98/842734698.db2.gz VDFQFLZSZRWJJW-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088980869 842734703 /nfs/dbraw/zinc/73/47/03/842734703.db2.gz VDFQFLZSZRWJJW-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088980869 842734710 /nfs/dbraw/zinc/73/47/10/842734710.db2.gz VDFQFLZSZRWJJW-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088980869 842734717 /nfs/dbraw/zinc/73/47/17/842734717.db2.gz VDFQFLZSZRWJJW-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP Cc1noc(C)c1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096202 842959991 /nfs/dbraw/zinc/95/99/91/842959991.db2.gz MYHKOPVCUUIYKV-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1noc(C)c1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096202 842959998 /nfs/dbraw/zinc/95/99/98/842959998.db2.gz MYHKOPVCUUIYKV-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944281 843127108 /nfs/dbraw/zinc/12/71/08/843127108.db2.gz YCOHKFZLXBHWOS-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944281 843127113 /nfs/dbraw/zinc/12/71/13/843127113.db2.gz YCOHKFZLXBHWOS-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC)C[C@@]3(C)C2)C1 ZINC001091944281 843127116 /nfs/dbraw/zinc/12/71/16/843127116.db2.gz YCOHKFZLXBHWOS-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCc1nocc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522635 843228367 /nfs/dbraw/zinc/22/83/67/843228367.db2.gz RUQFLHSXOUAGMI-CPUCHLNUSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522635 843228375 /nfs/dbraw/zinc/22/83/75/843228375.db2.gz RUQFLHSXOUAGMI-CPUCHLNUSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092522635 843228383 /nfs/dbraw/zinc/22/83/83/843228383.db2.gz RUQFLHSXOUAGMI-CPUCHLNUSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092522635 843228392 /nfs/dbraw/zinc/22/83/92/843228392.db2.gz RUQFLHSXOUAGMI-CPUCHLNUSA-N 2 1 350.463 0.752 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736143 843289605 /nfs/dbraw/zinc/28/96/05/843289605.db2.gz MSPLQJJOQVNQON-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092736143 843289612 /nfs/dbraw/zinc/28/96/12/843289612.db2.gz MSPLQJJOQVNQON-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092736143 843289620 /nfs/dbraw/zinc/28/96/20/843289620.db2.gz MSPLQJJOQVNQON-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937826 843348926 /nfs/dbraw/zinc/34/89/26/843348926.db2.gz XYNGNTOCNLMQOY-IJEWVQPXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093197297 843405773 /nfs/dbraw/zinc/40/57/73/843405773.db2.gz IOFBPOWNPFDUMN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093197297 843405778 /nfs/dbraw/zinc/40/57/78/843405778.db2.gz IOFBPOWNPFDUMN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093197297 843405780 /nfs/dbraw/zinc/40/57/80/843405780.db2.gz IOFBPOWNPFDUMN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)o1 ZINC001093243903 843414454 /nfs/dbraw/zinc/41/44/54/843414454.db2.gz UIZUFMAPKDANSQ-ZIAGYGMSSA-N 2 1 350.463 0.904 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001093481426 843442126 /nfs/dbraw/zinc/44/21/26/843442126.db2.gz WRRMEWIHTGJITM-LMSBXDPUSA-N 2 1 350.463 0.150 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001093691312 843457285 /nfs/dbraw/zinc/45/72/85/843457285.db2.gz QLPWJNRWOFLUEY-FRFSOERESA-N 2 1 350.438 0.735 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001093691312 843457291 /nfs/dbraw/zinc/45/72/91/843457291.db2.gz QLPWJNRWOFLUEY-FRFSOERESA-N 2 1 350.438 0.735 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)C1 ZINC001094232142 843537574 /nfs/dbraw/zinc/53/75/74/843537574.db2.gz MWRIVQLQCJIHDM-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)C1 ZINC001094232142 843537583 /nfs/dbraw/zinc/53/75/83/843537583.db2.gz MWRIVQLQCJIHDM-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094430218 843551933 /nfs/dbraw/zinc/55/19/33/843551933.db2.gz HTDHGGHEMSEHDQ-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2 ZINC001094430218 843551936 /nfs/dbraw/zinc/55/19/36/843551936.db2.gz HTDHGGHEMSEHDQ-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001094430218 843551947 /nfs/dbraw/zinc/55/19/47/843551947.db2.gz HTDHGGHEMSEHDQ-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCF)C3)C2)CC[N@@H+]1C ZINC001094740083 843696865 /nfs/dbraw/zinc/69/68/65/843696865.db2.gz HQDBHCQAUVGHKD-CWRNSKLLSA-N 2 1 354.470 0.478 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCF)C3)C2)CC[N@H+]1C ZINC001094740083 843696874 /nfs/dbraw/zinc/69/68/74/843696874.db2.gz HQDBHCQAUVGHKD-CWRNSKLLSA-N 2 1 354.470 0.478 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)CC1 ZINC001095430353 843724294 /nfs/dbraw/zinc/72/42/94/843724294.db2.gz QEAYJKYLCBXHRJ-ZBRFXRBCSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095529379 843736481 /nfs/dbraw/zinc/73/64/81/843736481.db2.gz OHARVSDMBVSMOB-YVSFHVDLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095529379 843736494 /nfs/dbraw/zinc/73/64/94/843736494.db2.gz OHARVSDMBVSMOB-YVSFHVDLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001095529379 843736506 /nfs/dbraw/zinc/73/65/06/843736506.db2.gz OHARVSDMBVSMOB-YVSFHVDLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001095529379 843736516 /nfs/dbraw/zinc/73/65/16/843736516.db2.gz OHARVSDMBVSMOB-YVSFHVDLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104297 843777678 /nfs/dbraw/zinc/77/76/78/843777678.db2.gz HRIWTPFZJCKVNK-SIXLDLHFSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104297 843777682 /nfs/dbraw/zinc/77/76/82/843777682.db2.gz HRIWTPFZJCKVNK-SIXLDLHFSA-N 2 1 350.507 0.917 20 0 FCADMP Cc1nsc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001096258693 843786240 /nfs/dbraw/zinc/78/62/40/843786240.db2.gz DLSRTALDTUEFKW-UKRRQHHQSA-N 2 1 366.535 0.815 20 0 FCADMP Cc1nsc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001096258693 843786251 /nfs/dbraw/zinc/78/62/51/843786251.db2.gz DLSRTALDTUEFKW-UKRRQHHQSA-N 2 1 366.535 0.815 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001096355936 843792912 /nfs/dbraw/zinc/79/29/12/843792912.db2.gz IJFYAJKJCGXGRP-FZKCQIBNSA-N 2 1 367.515 0.238 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001096355936 843792917 /nfs/dbraw/zinc/79/29/17/843792917.db2.gz IJFYAJKJCGXGRP-FZKCQIBNSA-N 2 1 367.515 0.238 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539075 843800644 /nfs/dbraw/zinc/80/06/44/843800644.db2.gz ULZRIGZMHVIPES-YVSFHVDLSA-N 2 1 369.531 0.484 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539075 843800657 /nfs/dbraw/zinc/80/06/57/843800657.db2.gz ULZRIGZMHVIPES-YVSFHVDLSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539075 843800671 /nfs/dbraw/zinc/80/06/71/843800671.db2.gz ULZRIGZMHVIPES-YVSFHVDLSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539075 843800686 /nfs/dbraw/zinc/80/06/86/843800686.db2.gz ULZRIGZMHVIPES-YVSFHVDLSA-N 2 1 369.531 0.484 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137648 843901624 /nfs/dbraw/zinc/90/16/24/843901624.db2.gz PVSPCHXZZJIXOA-DZUCGIPZSA-N 2 1 350.507 0.963 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137648 843901630 /nfs/dbraw/zinc/90/16/30/843901630.db2.gz PVSPCHXZZJIXOA-DZUCGIPZSA-N 2 1 350.507 0.963 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223366 843904768 /nfs/dbraw/zinc/90/47/68/843904768.db2.gz IJFYAJKJCGXGRP-FPCVCCKLSA-N 2 1 367.515 0.238 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223366 843904773 /nfs/dbraw/zinc/90/47/73/843904773.db2.gz IJFYAJKJCGXGRP-FPCVCCKLSA-N 2 1 367.515 0.238 20 0 FCADMP COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098672625 843928838 /nfs/dbraw/zinc/92/88/38/843928838.db2.gz GYMBHBDYUGOURK-FVQBIDKESA-N 2 1 350.467 0.128 20 0 FCADMP COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098672625 843928840 /nfs/dbraw/zinc/92/88/40/843928840.db2.gz GYMBHBDYUGOURK-FVQBIDKESA-N 2 1 350.467 0.128 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059279 843958101 /nfs/dbraw/zinc/95/81/01/843958101.db2.gz CRVXQKGPIIYTTM-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059279 843958107 /nfs/dbraw/zinc/95/81/07/843958107.db2.gz CRVXQKGPIIYTTM-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223325 843979816 /nfs/dbraw/zinc/97/98/16/843979816.db2.gz NXDDFWVHILZZAE-MCIONIFRSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223325 843979819 /nfs/dbraw/zinc/97/98/19/843979819.db2.gz NXDDFWVHILZZAE-MCIONIFRSA-N 2 1 359.396 0.993 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780863 844646199 /nfs/dbraw/zinc/64/61/99/844646199.db2.gz RQMRQEHPROMGIY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780863 844646201 /nfs/dbraw/zinc/64/62/01/844646201.db2.gz RQMRQEHPROMGIY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780863 844646202 /nfs/dbraw/zinc/64/62/02/844646202.db2.gz RQMRQEHPROMGIY-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102783044 844647614 /nfs/dbraw/zinc/64/76/14/844647614.db2.gz SRCZOERVMTWDFN-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102783044 844647617 /nfs/dbraw/zinc/64/76/17/844647617.db2.gz SRCZOERVMTWDFN-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102783044 844647620 /nfs/dbraw/zinc/64/76/20/844647620.db2.gz SRCZOERVMTWDFN-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819350 844653340 /nfs/dbraw/zinc/65/33/40/844653340.db2.gz RDWIKDDNLVUWTB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819350 844653345 /nfs/dbraw/zinc/65/33/45/844653345.db2.gz RDWIKDDNLVUWTB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102819350 844653349 /nfs/dbraw/zinc/65/33/49/844653349.db2.gz RDWIKDDNLVUWTB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102819350 844653352 /nfs/dbraw/zinc/65/33/52/844653352.db2.gz RDWIKDDNLVUWTB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818784 844653455 /nfs/dbraw/zinc/65/34/55/844653455.db2.gz HIWHUXQFDYDPNG-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818784 844653460 /nfs/dbraw/zinc/65/34/60/844653460.db2.gz HIWHUXQFDYDPNG-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818784 844653462 /nfs/dbraw/zinc/65/34/62/844653462.db2.gz HIWHUXQFDYDPNG-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818784 844653466 /nfs/dbraw/zinc/65/34/66/844653466.db2.gz HIWHUXQFDYDPNG-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103111849 844703371 /nfs/dbraw/zinc/70/33/71/844703371.db2.gz RBVYZUNKAKIXQK-OAGGEKHMSA-N 2 1 361.552 0.691 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185664 844718901 /nfs/dbraw/zinc/71/89/01/844718901.db2.gz JQOLAGIUTFGMMP-ZACQAIPSSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378736 844746361 /nfs/dbraw/zinc/74/63/61/844746361.db2.gz HRBMSMSNSURJQL-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398240 844750572 /nfs/dbraw/zinc/75/05/72/844750572.db2.gz JFCGSHZOFAMBHZ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398238 844750610 /nfs/dbraw/zinc/75/06/10/844750610.db2.gz JDPWQCCALYAOAY-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001103398171 844750770 /nfs/dbraw/zinc/75/07/70/844750770.db2.gz GFJMWBXAMDWTDV-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398536 844751334 /nfs/dbraw/zinc/75/13/34/844751334.db2.gz XJBUVOLFMXONTC-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP COC[C@@H](NC(=O)[C@H]1CC12CC[NH+](CCC[NH+](C)C)CC2)C(=O)OC ZINC001276609928 861497659 /nfs/dbraw/zinc/49/76/59/861497659.db2.gz NADSJIMUZOBLFD-HUUCEWRRSA-N 2 1 355.479 0.344 20 0 FCADMP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)s1 ZINC001103642210 844793290 /nfs/dbraw/zinc/79/32/90/844793290.db2.gz UVUHEXSQJSAWHG-UKRRQHHQSA-N 2 1 369.535 0.999 20 0 FCADMP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)s1 ZINC001103642210 844793296 /nfs/dbraw/zinc/79/32/96/844793296.db2.gz UVUHEXSQJSAWHG-UKRRQHHQSA-N 2 1 369.535 0.999 20 0 FCADMP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103663491 844797999 /nfs/dbraw/zinc/79/79/99/844797999.db2.gz DPZOEYJRSQDVBM-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103663491 844798002 /nfs/dbraw/zinc/79/80/02/844798002.db2.gz DPZOEYJRSQDVBM-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103663491 844798004 /nfs/dbraw/zinc/79/80/04/844798004.db2.gz DPZOEYJRSQDVBM-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103663491 844798006 /nfs/dbraw/zinc/79/80/06/844798006.db2.gz DPZOEYJRSQDVBM-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718939 844806837 /nfs/dbraw/zinc/80/68/37/844806837.db2.gz KZQWWOTUPDQFQZ-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718939 844806840 /nfs/dbraw/zinc/80/68/40/844806840.db2.gz KZQWWOTUPDQFQZ-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718939 844806843 /nfs/dbraw/zinc/80/68/43/844806843.db2.gz KZQWWOTUPDQFQZ-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721038 844806855 /nfs/dbraw/zinc/80/68/55/844806855.db2.gz AIUJMOXAYLHQJN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721038 844806859 /nfs/dbraw/zinc/80/68/59/844806859.db2.gz AIUJMOXAYLHQJN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721038 844806867 /nfs/dbraw/zinc/80/68/67/844806867.db2.gz AIUJMOXAYLHQJN-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718938 844806887 /nfs/dbraw/zinc/80/68/87/844806887.db2.gz KZQWWOTUPDQFQZ-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718938 844806897 /nfs/dbraw/zinc/80/68/97/844806897.db2.gz KZQWWOTUPDQFQZ-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718938 844806907 /nfs/dbraw/zinc/80/69/07/844806907.db2.gz KZQWWOTUPDQFQZ-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433586 844910908 /nfs/dbraw/zinc/91/09/08/844910908.db2.gz MFBJUIOTAAGISV-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001104680556 844932520 /nfs/dbraw/zinc/93/25/20/844932520.db2.gz SIOZMKBOCGZWLX-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243121 844984153 /nfs/dbraw/zinc/98/41/53/844984153.db2.gz WQEUASOWRKVEIX-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243121 844984157 /nfs/dbraw/zinc/98/41/57/844984157.db2.gz WQEUASOWRKVEIX-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675506 845016791 /nfs/dbraw/zinc/01/67/91/845016791.db2.gz PSSAYDLYDNYXRB-ZAWLATJESA-N 2 1 355.523 0.939 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676297 845018293 /nfs/dbraw/zinc/01/82/93/845018293.db2.gz VLVZYCJZNVJIDF-FPAYPSAMSA-N 2 1 355.523 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001105945222 845064953 /nfs/dbraw/zinc/06/49/53/845064953.db2.gz PNUNTCWKXBWFNI-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC001105974313 845071838 /nfs/dbraw/zinc/07/18/38/845071838.db2.gz ULOVFDQBGHRKTF-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC001105974313 845071843 /nfs/dbraw/zinc/07/18/43/845071843.db2.gz ULOVFDQBGHRKTF-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106271644 845146147 /nfs/dbraw/zinc/14/61/47/845146147.db2.gz JXLCGWLZRHEXMR-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106433158 845174869 /nfs/dbraw/zinc/17/48/69/845174869.db2.gz CTEBCQHYOUVWKD-SQWLQELKSA-N 2 1 370.519 0.556 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106839642 845265014 /nfs/dbraw/zinc/26/50/14/845265014.db2.gz MDTWHXVWDDHXMV-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106839635 845266116 /nfs/dbraw/zinc/26/61/16/845266116.db2.gz LZNSXWMHQSRSTE-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106910989 845284861 /nfs/dbraw/zinc/28/48/61/845284861.db2.gz ZIYXNORZENWWLB-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633420 845412058 /nfs/dbraw/zinc/41/20/58/845412058.db2.gz SSEYDXSOFVZSBY-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632923 845412326 /nfs/dbraw/zinc/41/23/26/845412326.db2.gz FJXQYAMCQYNTAR-NVXWUHKLSA-N 2 1 357.520 0.488 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632923 845412331 /nfs/dbraw/zinc/41/23/31/845412331.db2.gz FJXQYAMCQYNTAR-NVXWUHKLSA-N 2 1 357.520 0.488 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109399656 845645437 /nfs/dbraw/zinc/64/54/37/845645437.db2.gz QUSRIIMTGUQOHK-BDXSIMOUSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109399656 845645445 /nfs/dbraw/zinc/64/54/45/845645445.db2.gz QUSRIIMTGUQOHK-BDXSIMOUSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109399656 845645450 /nfs/dbraw/zinc/64/54/50/845645450.db2.gz QUSRIIMTGUQOHK-BDXSIMOUSA-N 2 1 353.507 0.980 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001109463996 845666172 /nfs/dbraw/zinc/66/61/72/845666172.db2.gz HEMWMVNHDKLRMC-RFGFWPKPSA-N 2 1 350.463 0.243 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001109463996 845666179 /nfs/dbraw/zinc/66/61/79/845666179.db2.gz HEMWMVNHDKLRMC-RFGFWPKPSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001109463996 845666183 /nfs/dbraw/zinc/66/61/83/845666183.db2.gz HEMWMVNHDKLRMC-RFGFWPKPSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001109463996 845666189 /nfs/dbraw/zinc/66/61/89/845666189.db2.gz HEMWMVNHDKLRMC-RFGFWPKPSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001109866620 845750853 /nfs/dbraw/zinc/75/08/53/845750853.db2.gz KIKLQFTUQCCHIY-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001110017717 845777067 /nfs/dbraw/zinc/77/70/67/845777067.db2.gz KDODTYSSAQYIDF-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001110017717 845777075 /nfs/dbraw/zinc/77/70/75/845777075.db2.gz KDODTYSSAQYIDF-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001110017717 845777083 /nfs/dbraw/zinc/77/70/83/845777083.db2.gz KDODTYSSAQYIDF-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101645 845789858 /nfs/dbraw/zinc/78/98/58/845789858.db2.gz XZVIGQLQIWLLRX-FZKCQIBNSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101645 845789863 /nfs/dbraw/zinc/78/98/63/845789863.db2.gz XZVIGQLQIWLLRX-FZKCQIBNSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101645 845789866 /nfs/dbraw/zinc/78/98/66/845789866.db2.gz XZVIGQLQIWLLRX-FZKCQIBNSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101645 845789872 /nfs/dbraw/zinc/78/98/72/845789872.db2.gz XZVIGQLQIWLLRX-FZKCQIBNSA-N 2 1 351.495 0.367 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794657 861612001 /nfs/dbraw/zinc/61/20/01/861612001.db2.gz PRIRAFDRWAEUIK-CVEARBPZSA-N 3 1 354.539 0.515 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001110661393 845943231 /nfs/dbraw/zinc/94/32/31/845943231.db2.gz QUSRIIMTGUQOHK-MLHJIOFPSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110661393 845943236 /nfs/dbraw/zinc/94/32/36/845943236.db2.gz QUSRIIMTGUQOHK-MLHJIOFPSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110661393 845943241 /nfs/dbraw/zinc/94/32/41/845943241.db2.gz QUSRIIMTGUQOHK-MLHJIOFPSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001110693311 845949973 /nfs/dbraw/zinc/94/99/73/845949973.db2.gz GLLUGBKWMHDOMP-CBZIJGRNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001110693311 845949976 /nfs/dbraw/zinc/94/99/76/845949976.db2.gz GLLUGBKWMHDOMP-CBZIJGRNSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2C[C@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820132 861631261 /nfs/dbraw/zinc/63/12/61/861631261.db2.gz YRWWFJDUFPTQFO-KSSFIOAISA-N 2 1 355.479 0.318 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956321 846001352 /nfs/dbraw/zinc/00/13/52/846001352.db2.gz COCRTJROGADFGQ-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956321 846001355 /nfs/dbraw/zinc/00/13/55/846001355.db2.gz COCRTJROGADFGQ-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110960803 846001673 /nfs/dbraw/zinc/00/16/73/846001673.db2.gz JITGAIOUELVFRF-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110960803 846001678 /nfs/dbraw/zinc/00/16/78/846001678.db2.gz JITGAIOUELVFRF-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001110956492 846001842 /nfs/dbraw/zinc/00/18/42/846001842.db2.gz LCDZCUGMEWYEQD-JJXSEGSLSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001110956492 846001846 /nfs/dbraw/zinc/00/18/46/846001846.db2.gz LCDZCUGMEWYEQD-JJXSEGSLSA-N 2 1 369.531 0.484 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001110981672 846007493 /nfs/dbraw/zinc/00/74/93/846007493.db2.gz YBEYWEKNTAQKLF-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001110981672 846007494 /nfs/dbraw/zinc/00/74/94/846007494.db2.gz YBEYWEKNTAQKLF-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001110981603 846007504 /nfs/dbraw/zinc/00/75/04/846007504.db2.gz TZIHZWDXKJVARG-UPJWGTAASA-N 2 1 364.412 0.728 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001110995381 846009767 /nfs/dbraw/zinc/00/97/67/846009767.db2.gz VNGHYXDLYLDTKE-WCXIOVBPSA-N 2 1 350.507 0.820 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1)[NH+](C)C ZINC001110995381 846009771 /nfs/dbraw/zinc/00/97/71/846009771.db2.gz VNGHYXDLYLDTKE-WCXIOVBPSA-N 2 1 350.507 0.820 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001111171688 846053609 /nfs/dbraw/zinc/05/36/09/846053609.db2.gz PBJXNOCWISNGII-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001111171688 846053615 /nfs/dbraw/zinc/05/36/15/846053615.db2.gz PBJXNOCWISNGII-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)(F)F ZINC001111281207 846077926 /nfs/dbraw/zinc/07/79/26/846077926.db2.gz JBGAABFBMYMTIY-MCIONIFRSA-N 2 1 367.412 0.865 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC(F)(F)F ZINC001111281207 846077929 /nfs/dbraw/zinc/07/79/29/846077929.db2.gz JBGAABFBMYMTIY-MCIONIFRSA-N 2 1 367.412 0.865 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111298611 846079974 /nfs/dbraw/zinc/07/99/74/846079974.db2.gz HLOARFKYBFLDPW-KBXIAJHMSA-N 2 1 350.463 0.245 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111298611 846079984 /nfs/dbraw/zinc/07/99/84/846079984.db2.gz HLOARFKYBFLDPW-KBXIAJHMSA-N 2 1 350.463 0.245 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740736 846189144 /nfs/dbraw/zinc/18/91/44/846189144.db2.gz LUYFZALQMFASIH-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740736 846189146 /nfs/dbraw/zinc/18/91/46/846189146.db2.gz LUYFZALQMFASIH-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740736 846189151 /nfs/dbraw/zinc/18/91/51/846189151.db2.gz LUYFZALQMFASIH-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740736 846189155 /nfs/dbraw/zinc/18/91/55/846189155.db2.gz LUYFZALQMFASIH-FCEWJHQRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H](C)[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276852205 861653536 /nfs/dbraw/zinc/65/35/36/861653536.db2.gz PJGWFQKCBQANOL-HKUYNNGSSA-N 2 1 352.523 0.726 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111857946 846233960 /nfs/dbraw/zinc/23/39/60/846233960.db2.gz GSKGKLQOIZIOMA-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001111861614 846235374 /nfs/dbraw/zinc/23/53/74/846235374.db2.gz VVGOVFOYSJCJEA-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001111864310 846235553 /nfs/dbraw/zinc/23/55/53/846235553.db2.gz KCCJBBNQAVFXSQ-ALKREAHSSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2)CC(C)(C)C ZINC001111873234 846239416 /nfs/dbraw/zinc/23/94/16/846239416.db2.gz PPDCBWPFCIVRHT-LPHOPBHVSA-N 2 1 355.523 0.944 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)CC(C)(C)C ZINC001111873234 846239430 /nfs/dbraw/zinc/23/94/30/846239430.db2.gz PPDCBWPFCIVRHT-LPHOPBHVSA-N 2 1 355.523 0.944 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)CC(C)(C)C ZINC001111873234 846239441 /nfs/dbraw/zinc/23/94/41/846239441.db2.gz PPDCBWPFCIVRHT-LPHOPBHVSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@H](COCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCO)C2)[NH+]1CCCC1 ZINC001111875785 846241207 /nfs/dbraw/zinc/24/12/07/846241207.db2.gz DOAZMHZIFUSJAA-AOIWGVFYSA-N 2 1 353.507 0.840 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2)[NH+](C)C ZINC001111874947 846242103 /nfs/dbraw/zinc/24/21/03/846242103.db2.gz IKMGLDKHFGENCJ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+](CCCO)C2 ZINC001111902776 846253011 /nfs/dbraw/zinc/25/30/11/846253011.db2.gz QQLUZSVONJAIHH-HKUYNNGSSA-N 2 1 353.507 0.842 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001111902776 846253022 /nfs/dbraw/zinc/25/30/22/846253022.db2.gz QQLUZSVONJAIHH-HKUYNNGSSA-N 2 1 353.507 0.842 20 0 FCADMP CC(C)NC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001276863126 861657043 /nfs/dbraw/zinc/65/70/43/861657043.db2.gz ZGUWSOIGVSLWDC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001276863126 861657050 /nfs/dbraw/zinc/65/70/50/861657050.db2.gz ZGUWSOIGVSLWDC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001276863126 861657056 /nfs/dbraw/zinc/65/70/56/861657056.db2.gz ZGUWSOIGVSLWDC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001276863126 861657062 /nfs/dbraw/zinc/65/70/62/861657062.db2.gz ZGUWSOIGVSLWDC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001276863126 861657071 /nfs/dbraw/zinc/65/70/71/861657071.db2.gz ZGUWSOIGVSLWDC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111949821 846272216 /nfs/dbraw/zinc/27/22/16/846272216.db2.gz VHJJPVAOPWPECY-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111949821 846272225 /nfs/dbraw/zinc/27/22/25/846272225.db2.gz VHJJPVAOPWPECY-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111949821 846272233 /nfs/dbraw/zinc/27/22/33/846272233.db2.gz VHJJPVAOPWPECY-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111949821 846272244 /nfs/dbraw/zinc/27/22/44/846272244.db2.gz VHJJPVAOPWPECY-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP CCC(=O)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276873931 861663269 /nfs/dbraw/zinc/66/32/69/861663269.db2.gz ZDCZPGMSESJYPS-IBGZPJMESA-N 2 1 350.507 0.527 20 0 FCADMP CCC(=O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276873931 861663274 /nfs/dbraw/zinc/66/32/74/861663274.db2.gz ZDCZPGMSESJYPS-IBGZPJMESA-N 2 1 350.507 0.527 20 0 FCADMP CCC(=O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276873931 861663279 /nfs/dbraw/zinc/66/32/79/861663279.db2.gz ZDCZPGMSESJYPS-IBGZPJMESA-N 2 1 350.507 0.527 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112071013 846349305 /nfs/dbraw/zinc/34/93/05/846349305.db2.gz NUTDXXAZSKVPCV-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113511 846393949 /nfs/dbraw/zinc/39/39/49/846393949.db2.gz XXVBUOYXGYZSQV-QJPTWQEYSA-N 2 1 364.412 0.584 20 0 FCADMP CC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276898798 861676251 /nfs/dbraw/zinc/67/62/51/861676251.db2.gz CZBDREBLAWXNKF-KBAYOESNSA-N 2 1 350.507 0.667 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112181894 846441458 /nfs/dbraw/zinc/44/14/58/846441458.db2.gz CKJSSWCPLHXNNG-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112181961 846441792 /nfs/dbraw/zinc/44/17/92/846441792.db2.gz GQMRUVCDVMSWGJ-GRYCIOLGSA-N 2 1 350.385 0.196 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112190235 846449405 /nfs/dbraw/zinc/44/94/05/846449405.db2.gz QXFGVWUXHKMIAZ-YNEHKIRRSA-N 2 1 366.428 0.784 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112190402 846450518 /nfs/dbraw/zinc/45/05/18/846450518.db2.gz ZLMZGMMFBQWWQA-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112190402 846450525 /nfs/dbraw/zinc/45/05/25/846450525.db2.gz ZLMZGMMFBQWWQA-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001112198097 846455791 /nfs/dbraw/zinc/45/57/91/846455791.db2.gz AMQRZOXBPKBTJZ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112205796 846461587 /nfs/dbraw/zinc/46/15/87/846461587.db2.gz AYQOCAZWMLCKLH-JHJVBQTASA-N 2 1 364.368 0.178 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112213942 846470573 /nfs/dbraw/zinc/47/05/73/846470573.db2.gz JUSJRFPWRMWKFV-CHWSQXEVSA-N 2 1 364.412 0.717 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578266 846528905 /nfs/dbraw/zinc/52/89/05/846528905.db2.gz GOVRRELUDQLBKC-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276960956 861708652 /nfs/dbraw/zinc/70/86/52/861708652.db2.gz XFUOEJBXMMZEAE-KRWDZBQOSA-N 2 1 352.523 0.319 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC001118124102 847289520 /nfs/dbraw/zinc/28/95/20/847289520.db2.gz UZOBYBJVYUXCCC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC001118124102 847289529 /nfs/dbraw/zinc/28/95/29/847289529.db2.gz UZOBYBJVYUXCCC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC001118124102 847289542 /nfs/dbraw/zinc/28/95/42/847289542.db2.gz UZOBYBJVYUXCCC-TWMKSMIVSA-N 2 1 354.495 0.600 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)N1CC[NH2+]CC1 ZINC001118223213 847331013 /nfs/dbraw/zinc/33/10/13/847331013.db2.gz OCONDZQYVMKNOJ-CYBMUJFWSA-N 2 1 365.865 0.817 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001118325286 847383197 /nfs/dbraw/zinc/38/31/97/847383197.db2.gz GYSDMHUHVHRVAG-JOQOYGCGSA-N 2 1 350.463 0.550 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001277235033 861796271 /nfs/dbraw/zinc/79/62/71/861796271.db2.gz LBRVGBSHHSYIHF-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001277235033 861796278 /nfs/dbraw/zinc/79/62/78/861796278.db2.gz LBRVGBSHHSYIHF-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001119354230 847819937 /nfs/dbraw/zinc/81/99/37/847819937.db2.gz CMLXBJNINDIOEV-FVQBIDKESA-N 2 1 354.495 0.093 20 0 FCADMP C[NH+](C)CCC1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001119647493 847922602 /nfs/dbraw/zinc/92/26/02/847922602.db2.gz MSJMUIFHVWHJGR-UHFFFAOYSA-N 2 1 351.499 0.564 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)c2cccs2)CC1 ZINC001121927628 848419884 /nfs/dbraw/zinc/41/98/84/848419884.db2.gz ZTOOIEPRMMUCJG-MAUKXSAKSA-N 2 1 366.531 0.657 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1C ZINC001127644266 848730084 /nfs/dbraw/zinc/73/00/84/848730084.db2.gz XLAXWFWXFXTNQJ-FRFSOERESA-N 2 1 353.438 0.611 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC001127638629 848730347 /nfs/dbraw/zinc/73/03/47/848730347.db2.gz NWUWGZYNZXZXNR-CZUORRHYSA-N 2 1 353.488 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@H+]1C ZINC001127701668 848732391 /nfs/dbraw/zinc/73/23/91/848732391.db2.gz USDZEVRNICCNIY-RWMBFGLXSA-N 2 1 355.401 0.362 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc(F)c(O)c3)C2)OCC1=O ZINC001277569377 861943628 /nfs/dbraw/zinc/94/36/28/861943628.db2.gz XCMNNTHHYBXNCW-GOSISDBHSA-N 2 1 351.422 0.896 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc(F)c(O)c3)C2)OCC1=O ZINC001277569377 861943632 /nfs/dbraw/zinc/94/36/32/861943632.db2.gz XCMNNTHHYBXNCW-GOSISDBHSA-N 2 1 351.422 0.896 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205098 848818213 /nfs/dbraw/zinc/81/82/13/848818213.db2.gz PDFCOXIKELYHMD-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1n1ccnn1 ZINC001129228349 848820591 /nfs/dbraw/zinc/82/05/91/848820591.db2.gz OPZDVBWIDFOKAY-CABCVRRESA-N 2 1 363.491 0.271 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129228340 848820801 /nfs/dbraw/zinc/82/08/01/848820801.db2.gz OIIZPRJZKAUSEA-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129896142 848910543 /nfs/dbraw/zinc/91/05/43/848910543.db2.gz SBLSBFWFZOVLFT-PUZFDUQFSA-N 2 1 352.870 0.856 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130107157 848945602 /nfs/dbraw/zinc/94/56/02/848945602.db2.gz GKVLRGZHIMOUHO-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130107752 848946861 /nfs/dbraw/zinc/94/68/61/848946861.db2.gz ZRASPZTZFIJEAZ-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130107752 848946864 /nfs/dbraw/zinc/94/68/64/848946864.db2.gz ZRASPZTZFIJEAZ-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137119 848950100 /nfs/dbraw/zinc/95/01/00/848950100.db2.gz KAKLLOYZRZLKLT-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249052 848988875 /nfs/dbraw/zinc/98/88/75/848988875.db2.gz HOMHLVMVSIBHFV-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001130249052 848988880 /nfs/dbraw/zinc/98/88/80/848988880.db2.gz HOMHLVMVSIBHFV-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130249052 848988885 /nfs/dbraw/zinc/98/88/85/848988885.db2.gz HOMHLVMVSIBHFV-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249052 848988886 /nfs/dbraw/zinc/98/88/86/848988886.db2.gz HOMHLVMVSIBHFV-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249052 848988891 /nfs/dbraw/zinc/98/88/91/848988891.db2.gz HOMHLVMVSIBHFV-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130251286 848988913 /nfs/dbraw/zinc/98/89/13/848988913.db2.gz LLFWAKJWHXTKGM-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130706660 849028132 /nfs/dbraw/zinc/02/81/32/849028132.db2.gz RLOGRPQRGKCESV-DOTOQJQBSA-N 2 1 351.495 0.682 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130805397 849046252 /nfs/dbraw/zinc/04/62/52/849046252.db2.gz ZRDKJZFVPXVWPZ-UONOGXRCSA-N 2 1 352.483 0.981 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131115774 849080490 /nfs/dbraw/zinc/08/04/90/849080490.db2.gz ZZDZEZLRQDZANO-BZUAXINKSA-N 2 1 351.495 0.681 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131500316 849114039 /nfs/dbraw/zinc/11/40/39/849114039.db2.gz RINZEQGNVQWOHY-DDBAPUKQSA-N 2 1 353.507 0.959 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CCC1 ZINC001131511914 849116055 /nfs/dbraw/zinc/11/60/55/849116055.db2.gz CNMJJTDZMUKMBK-MJGOQNOKSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131605026 849129400 /nfs/dbraw/zinc/12/94/00/849129400.db2.gz SWSLPEXVDKSDEV-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583760 849586342 /nfs/dbraw/zinc/58/63/42/849586342.db2.gz UPGHAYWHIKTJIN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583760 849586348 /nfs/dbraw/zinc/58/63/48/849586348.db2.gz UPGHAYWHIKTJIN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583760 849586356 /nfs/dbraw/zinc/58/63/56/849586356.db2.gz UPGHAYWHIKTJIN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583760 849586366 /nfs/dbraw/zinc/58/63/66/849586366.db2.gz UPGHAYWHIKTJIN-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](CCCO)CC1 ZINC001151174493 849680873 /nfs/dbraw/zinc/68/08/73/849680873.db2.gz BJFSDVOHRVAVSL-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](CCCO)CC1 ZINC001151174493 849680877 /nfs/dbraw/zinc/68/08/77/849680877.db2.gz BJFSDVOHRVAVSL-HZPDHXFCSA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001154021044 849775282 /nfs/dbraw/zinc/77/52/82/849775282.db2.gz XHVZQMTUVQQTMF-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154021044 849775287 /nfs/dbraw/zinc/77/52/87/849775287.db2.gz XHVZQMTUVQQTMF-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@@H+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154021044 849775290 /nfs/dbraw/zinc/77/52/90/849775290.db2.gz XHVZQMTUVQQTMF-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[NH+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154021044 849775291 /nfs/dbraw/zinc/77/52/91/849775291.db2.gz XHVZQMTUVQQTMF-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[NH+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154021044 849775294 /nfs/dbraw/zinc/77/52/94/849775294.db2.gz XHVZQMTUVQQTMF-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc1 ZINC001155382400 849849916 /nfs/dbraw/zinc/84/99/16/849849916.db2.gz NDBMGMCKYGYPPC-HNNXBMFYSA-N 2 1 367.519 0.628 20 0 FCADMP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157336326 849964939 /nfs/dbraw/zinc/96/49/39/849964939.db2.gz NAZHZMZBTWWQBN-STQMWFEESA-N 2 1 358.483 0.186 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]Cc2csnn2)CC1 ZINC001158282628 850033960 /nfs/dbraw/zinc/03/39/60/850033960.db2.gz UGJKSEKUBZFEAM-CVEARBPZSA-N 2 1 367.519 0.881 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158336942 850037429 /nfs/dbraw/zinc/03/74/29/850037429.db2.gz FKCRFHPPUHMWKP-HZSPNIEDSA-N 2 1 355.483 0.047 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001158384915 850044286 /nfs/dbraw/zinc/04/42/86/850044286.db2.gz TYJDCHVJKVSJCC-HUUCEWRRSA-N 2 1 365.396 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001158412641 850047955 /nfs/dbraw/zinc/04/79/55/850047955.db2.gz SLZNKQYVVPABBJ-FRRDWIJNSA-N 2 1 366.428 0.880 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903091 850083399 /nfs/dbraw/zinc/08/33/99/850083399.db2.gz MGOUMZHTYPZGMZ-GUYCJALGSA-N 3 1 351.426 0.013 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834266 850139423 /nfs/dbraw/zinc/13/94/23/850139423.db2.gz UNSPJDAMNIGGQN-RBSFLKMASA-N 2 1 350.488 0.944 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834269 850139691 /nfs/dbraw/zinc/13/96/91/850139691.db2.gz UODOINIOFYUXRN-GDBMZVCRSA-N 2 1 363.531 0.908 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cnc([C@@H](C)[NH3+])s3)C[C@H]1C2 ZINC001160800763 850199594 /nfs/dbraw/zinc/19/95/94/850199594.db2.gz UTYCGICEAFXLJN-ATVYXVOMSA-N 2 1 364.471 0.634 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C(C)(C)C)C2=O)O1 ZINC001160850752 850204704 /nfs/dbraw/zinc/20/47/04/850204704.db2.gz GEDIICUNCIFJOH-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C(C)(C)C)C2=O)O1 ZINC001160850752 850204713 /nfs/dbraw/zinc/20/47/13/850204713.db2.gz GEDIICUNCIFJOH-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCOC[C@@H]2CCCCO2)O1 ZINC001160857588 850207609 /nfs/dbraw/zinc/20/76/09/850207609.db2.gz LYEOYUVNPURWAB-IXDOHACOSA-N 2 1 357.495 0.387 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCOC[C@@H]2CCCCO2)O1 ZINC001160857588 850207613 /nfs/dbraw/zinc/20/76/13/850207613.db2.gz LYEOYUVNPURWAB-IXDOHACOSA-N 2 1 357.495 0.387 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C3CC3)n2C)O1 ZINC001160862672 850210253 /nfs/dbraw/zinc/21/02/53/850210253.db2.gz UQFFIUNAZPVLIV-TZMCWYRMSA-N 2 1 350.467 0.008 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C3CC3)n2C)O1 ZINC001160862672 850210265 /nfs/dbraw/zinc/21/02/65/850210265.db2.gz UQFFIUNAZPVLIV-TZMCWYRMSA-N 2 1 350.467 0.008 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001161082029 850228140 /nfs/dbraw/zinc/22/81/40/850228140.db2.gz NHIDPCLGQKKFIR-FRRDWIJNSA-N 2 1 364.412 0.715 20 0 FCADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001161158542 850236276 /nfs/dbraw/zinc/23/62/76/850236276.db2.gz WNNJNLCGZITSMZ-HNNXBMFYSA-N 3 1 354.495 0.191 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378247 850255658 /nfs/dbraw/zinc/25/56/58/850255658.db2.gz KYUZIQBGHBUSMN-KVSKMBFKSA-N 3 1 350.507 0.559 20 0 FCADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC001277811241 862112839 /nfs/dbraw/zinc/11/28/39/862112839.db2.gz UXNVUQCVLMUIDM-INIZCTEOSA-N 2 1 351.422 0.334 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(COC)CC[NH+](C[C@H](C)O)CC2)CC[N@H+]1C ZINC001162275497 850307028 /nfs/dbraw/zinc/30/70/28/850307028.db2.gz UMYDQKYNBVHXSF-YESZJQIVSA-N 2 1 355.523 0.942 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N1CC[C@@H]([NH3+])C1 ZINC001164279623 850401520 /nfs/dbraw/zinc/40/15/20/850401520.db2.gz SEOWJYSFSIZRRF-UKRRQHHQSA-N 2 1 350.463 0.725 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001164578748 850417070 /nfs/dbraw/zinc/41/70/70/850417070.db2.gz PYHOSGZCISYFPN-LSDHHAIUSA-N 2 1 359.536 0.637 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001164578706 850417754 /nfs/dbraw/zinc/41/77/54/850417754.db2.gz NZPISNGBSIFAHP-HRCADAONSA-N 2 1 350.507 0.871 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)O1 ZINC001170274102 850648863 /nfs/dbraw/zinc/64/88/63/850648863.db2.gz WDJWJYFYWXJNQY-FMKPAKJESA-N 3 1 350.467 0.541 20 0 FCADMP CCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498957 850687263 /nfs/dbraw/zinc/68/72/63/850687263.db2.gz DFSRHCOTFOCFSF-BZUAXINKSA-N 2 1 356.511 0.496 20 0 FCADMP CCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498957 850687267 /nfs/dbraw/zinc/68/72/67/850687267.db2.gz DFSRHCOTFOCFSF-BZUAXINKSA-N 2 1 356.511 0.496 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172532 850706984 /nfs/dbraw/zinc/70/69/84/850706984.db2.gz FKJDOCVBJNZBAW-ZJPYXAASSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172532 850706988 /nfs/dbraw/zinc/70/69/88/850706988.db2.gz FKJDOCVBJNZBAW-ZJPYXAASSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172532 850706995 /nfs/dbraw/zinc/70/69/95/850706995.db2.gz FKJDOCVBJNZBAW-ZJPYXAASSA-N 2 1 351.491 0.809 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172255772 850710457 /nfs/dbraw/zinc/71/04/57/850710457.db2.gz AAFLMQLYZOTPCW-LVQVYYBASA-N 2 1 350.415 0.207 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001172688047 850712925 /nfs/dbraw/zinc/71/29/25/850712925.db2.gz HTMSUJRAGBARKY-AGIUHOORSA-N 2 1 359.467 0.615 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001178521696 850904771 /nfs/dbraw/zinc/90/47/71/850904771.db2.gz BOVVREGAXHJIDU-HUUCEWRRSA-N 2 1 362.540 0.142 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001178518008 850904969 /nfs/dbraw/zinc/90/49/69/850904969.db2.gz FGSRWZPVNLRTBJ-ZIAGYGMSSA-N 2 1 352.483 0.215 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCCNC2=O)O1 ZINC001178810631 850932292 /nfs/dbraw/zinc/93/22/92/850932292.db2.gz JLUURSDUETXQHH-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCCNC2=O)O1 ZINC001178810631 850932297 /nfs/dbraw/zinc/93/22/97/850932297.db2.gz JLUURSDUETXQHH-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981760 850942844 /nfs/dbraw/zinc/94/28/44/850942844.db2.gz DJVMMIUWXRCMKL-FXUDXRNXSA-N 2 1 354.495 0.151 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981760 850942850 /nfs/dbraw/zinc/94/28/50/850942850.db2.gz DJVMMIUWXRCMKL-FXUDXRNXSA-N 2 1 354.495 0.151 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001182693575 851193125 /nfs/dbraw/zinc/19/31/25/851193125.db2.gz XJSXTFKJKSNTQW-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC001183556658 851253106 /nfs/dbraw/zinc/25/31/06/851253106.db2.gz KIMFNPKMHCRHPX-IAGOWNOFSA-N 2 1 351.491 0.811 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250461 851345036 /nfs/dbraw/zinc/34/50/36/851345036.db2.gz GREYRHZUYDHGNX-CVEARBPZSA-N 2 1 352.523 0.770 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001278232313 862266484 /nfs/dbraw/zinc/26/64/84/862266484.db2.gz UEFMUDTWSJYRML-ROUUACIJSA-N 2 1 353.507 0.866 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001188314366 851668681 /nfs/dbraw/zinc/66/86/81/851668681.db2.gz INTBRFLKQKZXKQ-GVDBMIGSSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818282 851729474 /nfs/dbraw/zinc/72/94/74/851729474.db2.gz BQGCSTGMJCWEGY-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818282 851729480 /nfs/dbraw/zinc/72/94/80/851729480.db2.gz BQGCSTGMJCWEGY-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818282 851729487 /nfs/dbraw/zinc/72/94/87/851729487.db2.gz BQGCSTGMJCWEGY-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818282 851729492 /nfs/dbraw/zinc/72/94/92/851729492.db2.gz BQGCSTGMJCWEGY-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964120 851737905 /nfs/dbraw/zinc/73/79/05/851737905.db2.gz VIBFGSJLSBBFKX-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964120 851737912 /nfs/dbraw/zinc/73/79/12/851737912.db2.gz VIBFGSJLSBBFKX-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188957970 851738035 /nfs/dbraw/zinc/73/80/35/851738035.db2.gz ZCPDUPFUBQVRSY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188957970 851738039 /nfs/dbraw/zinc/73/80/39/851738039.db2.gz ZCPDUPFUBQVRSY-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034352 851744545 /nfs/dbraw/zinc/74/45/45/851744545.db2.gz IRGQGPXQUQYKSC-GVDBMIGSSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001189055460 851746451 /nfs/dbraw/zinc/74/64/51/851746451.db2.gz VEIFRPARRVGCDB-QWHCGFSZSA-N 2 1 364.412 0.539 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055175 851746604 /nfs/dbraw/zinc/74/66/04/851746604.db2.gz ODTZSVLHKNADTJ-LSDHHAIUSA-N 2 1 352.504 0.703 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126915 851754795 /nfs/dbraw/zinc/75/47/95/851754795.db2.gz NTAFTCYCPUOACF-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126915 851754802 /nfs/dbraw/zinc/75/48/02/851754802.db2.gz NTAFTCYCPUOACF-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126915 851754808 /nfs/dbraw/zinc/75/48/08/851754808.db2.gz NTAFTCYCPUOACF-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126915 851754815 /nfs/dbraw/zinc/75/48/15/851754815.db2.gz NTAFTCYCPUOACF-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126420 851756030 /nfs/dbraw/zinc/75/60/30/851756030.db2.gz HVIANVDVZWVZMX-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126420 851756041 /nfs/dbraw/zinc/75/60/41/851756041.db2.gz HVIANVDVZWVZMX-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126420 851756051 /nfs/dbraw/zinc/75/60/51/851756051.db2.gz HVIANVDVZWVZMX-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189126420 851756062 /nfs/dbraw/zinc/75/60/62/851756062.db2.gz HVIANVDVZWVZMX-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001189144442 851758459 /nfs/dbraw/zinc/75/84/59/851758459.db2.gz YTDFYGCKPUOXHA-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001189144442 851758468 /nfs/dbraw/zinc/75/84/68/851758468.db2.gz YTDFYGCKPUOXHA-YESZJQIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001189151260 851759969 /nfs/dbraw/zinc/75/99/69/851759969.db2.gz DEMSSKVKDAUHDA-HRCADAONSA-N 2 1 353.511 0.567 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001189151260 851759973 /nfs/dbraw/zinc/75/99/73/851759973.db2.gz DEMSSKVKDAUHDA-HRCADAONSA-N 2 1 353.511 0.567 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189469993 851793754 /nfs/dbraw/zinc/79/37/54/851793754.db2.gz BKSSZZQMSFTYLG-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189469993 851793758 /nfs/dbraw/zinc/79/37/58/851793758.db2.gz BKSSZZQMSFTYLG-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189471630 851794173 /nfs/dbraw/zinc/79/41/73/851794173.db2.gz XHUSJBZBSINWCG-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189471630 851794182 /nfs/dbraw/zinc/79/41/82/851794182.db2.gz XHUSJBZBSINWCG-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189660521 851812905 /nfs/dbraw/zinc/81/29/05/851812905.db2.gz UIBMAOCMSZNPOK-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189660521 851812918 /nfs/dbraw/zinc/81/29/18/851812918.db2.gz UIBMAOCMSZNPOK-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189660521 851812928 /nfs/dbraw/zinc/81/29/28/851812928.db2.gz UIBMAOCMSZNPOK-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001189660521 851812938 /nfs/dbraw/zinc/81/29/38/851812938.db2.gz UIBMAOCMSZNPOK-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189898534 851838884 /nfs/dbraw/zinc/83/88/84/851838884.db2.gz LDDMSMHUSPGJAV-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189898534 851838889 /nfs/dbraw/zinc/83/88/89/851838889.db2.gz LDDMSMHUSPGJAV-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189898534 851838893 /nfs/dbraw/zinc/83/88/93/851838893.db2.gz LDDMSMHUSPGJAV-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189898534 851838898 /nfs/dbraw/zinc/83/88/98/851838898.db2.gz LDDMSMHUSPGJAV-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913717 851841617 /nfs/dbraw/zinc/84/16/17/851841617.db2.gz XOPSQKTZRWUOTH-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913717 851841625 /nfs/dbraw/zinc/84/16/25/851841625.db2.gz XOPSQKTZRWUOTH-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001189913717 851841634 /nfs/dbraw/zinc/84/16/34/851841634.db2.gz XOPSQKTZRWUOTH-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189923636 851843437 /nfs/dbraw/zinc/84/34/37/851843437.db2.gz URVAOSHWBZPNAO-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189923636 851843443 /nfs/dbraw/zinc/84/34/43/851843443.db2.gz URVAOSHWBZPNAO-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189923636 851843450 /nfs/dbraw/zinc/84/34/50/851843450.db2.gz URVAOSHWBZPNAO-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189923636 851843457 /nfs/dbraw/zinc/84/34/57/851843457.db2.gz URVAOSHWBZPNAO-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148842 851867083 /nfs/dbraw/zinc/86/70/83/851867083.db2.gz KMRANOXQVPRSPF-ARFHVFGLSA-N 2 1 369.531 0.296 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148842 851867089 /nfs/dbraw/zinc/86/70/89/851867089.db2.gz KMRANOXQVPRSPF-ARFHVFGLSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148842 851867093 /nfs/dbraw/zinc/86/70/93/851867093.db2.gz KMRANOXQVPRSPF-ARFHVFGLSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001190148842 851867098 /nfs/dbraw/zinc/86/70/98/851867098.db2.gz KMRANOXQVPRSPF-ARFHVFGLSA-N 2 1 369.531 0.296 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148474 851867290 /nfs/dbraw/zinc/86/72/90/851867290.db2.gz HERXTJWCDJVKGP-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148474 851867293 /nfs/dbraw/zinc/86/72/93/851867293.db2.gz HERXTJWCDJVKGP-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148474 851867300 /nfs/dbraw/zinc/86/73/00/851867300.db2.gz HERXTJWCDJVKGP-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148474 851867305 /nfs/dbraw/zinc/86/73/05/851867305.db2.gz HERXTJWCDJVKGP-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001190351363 851894952 /nfs/dbraw/zinc/89/49/52/851894952.db2.gz WKEXTFGLOBBWOS-LSDHHAIUSA-N 2 1 350.463 0.008 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001190351363 851894960 /nfs/dbraw/zinc/89/49/60/851894960.db2.gz WKEXTFGLOBBWOS-LSDHHAIUSA-N 2 1 350.463 0.008 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001190351363 851894963 /nfs/dbraw/zinc/89/49/63/851894963.db2.gz WKEXTFGLOBBWOS-LSDHHAIUSA-N 2 1 350.463 0.008 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCSC)CC3)[C@@H]2C1 ZINC001278426718 862326240 /nfs/dbraw/zinc/32/62/40/862326240.db2.gz SJKXEUVPJAWIAU-HZPDHXFCSA-N 2 1 371.547 0.872 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728726 852478405 /nfs/dbraw/zinc/47/84/05/852478405.db2.gz RWXOEOUCNMMRAL-RBSFLKMASA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728726 852478407 /nfs/dbraw/zinc/47/84/07/852478407.db2.gz RWXOEOUCNMMRAL-RBSFLKMASA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728726 852478409 /nfs/dbraw/zinc/47/84/09/852478409.db2.gz RWXOEOUCNMMRAL-RBSFLKMASA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)C1 ZINC001193728726 852478412 /nfs/dbraw/zinc/47/84/12/852478412.db2.gz RWXOEOUCNMMRAL-RBSFLKMASA-N 2 1 363.449 0.407 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792150 852489468 /nfs/dbraw/zinc/48/94/68/852489468.db2.gz YXHVZWZFKVNBDW-IIAWOOMASA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792150 852489471 /nfs/dbraw/zinc/48/94/71/852489471.db2.gz YXHVZWZFKVNBDW-IIAWOOMASA-N 2 1 352.504 0.496 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CCCC1 ZINC001193822041 852493974 /nfs/dbraw/zinc/49/39/74/852493974.db2.gz WUXPAXGYXQIFIO-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C1CCCC1 ZINC001193822041 852493981 /nfs/dbraw/zinc/49/39/81/852493981.db2.gz WUXPAXGYXQIFIO-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C1CCCC1 ZINC001193822041 852493986 /nfs/dbraw/zinc/49/39/86/852493986.db2.gz WUXPAXGYXQIFIO-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102434 852536860 /nfs/dbraw/zinc/53/68/60/852536860.db2.gz KYBNYAOXQUKZTN-MBZYTVFJSA-N 2 1 353.507 0.862 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1O ZINC001194244686 852563718 /nfs/dbraw/zinc/56/37/18/852563718.db2.gz WDBBIUJENICEKJ-HUUCEWRRSA-N 2 1 354.520 0.886 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1O ZINC001194244686 852563722 /nfs/dbraw/zinc/56/37/22/852563722.db2.gz WDBBIUJENICEKJ-HUUCEWRRSA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1O ZINC001194244686 852563725 /nfs/dbraw/zinc/56/37/25/852563725.db2.gz WDBBIUJENICEKJ-HUUCEWRRSA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1O ZINC001194244686 852563728 /nfs/dbraw/zinc/56/37/28/852563728.db2.gz WDBBIUJENICEKJ-HUUCEWRRSA-N 2 1 354.520 0.886 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996767 852689874 /nfs/dbraw/zinc/68/98/74/852689874.db2.gz FZWFDEVZDMCZCY-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996767 852689879 /nfs/dbraw/zinc/68/98/79/852689879.db2.gz FZWFDEVZDMCZCY-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)C1CCCCC1 ZINC001194996767 852689884 /nfs/dbraw/zinc/68/98/84/852689884.db2.gz FZWFDEVZDMCZCY-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)CCCC1 ZINC001195006534 852692240 /nfs/dbraw/zinc/69/22/40/852692240.db2.gz KYZRPZMKVQYKGW-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581931 852790506 /nfs/dbraw/zinc/79/05/06/852790506.db2.gz XUKIDDCGTPNQFR-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195581931 852790511 /nfs/dbraw/zinc/79/05/11/852790511.db2.gz XUKIDDCGTPNQFR-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195581931 852790516 /nfs/dbraw/zinc/79/05/16/852790516.db2.gz XUKIDDCGTPNQFR-FGTMMUONSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001196090432 852888954 /nfs/dbraw/zinc/88/89/54/852888954.db2.gz HYPLZWBFSRFUOY-NUEKZKHPSA-N 2 1 350.463 0.806 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001196168382 852903363 /nfs/dbraw/zinc/90/33/63/852903363.db2.gz JHAAIUBGZJOXQM-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168382 852903373 /nfs/dbraw/zinc/90/33/73/852903373.db2.gz JHAAIUBGZJOXQM-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001196258487 852927062 /nfs/dbraw/zinc/92/70/62/852927062.db2.gz BPMNUBOWQVQMFC-FRRDWIJNSA-N 2 1 355.401 0.457 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001196637318 852990351 /nfs/dbraw/zinc/99/03/51/852990351.db2.gz IZXLUBGLBMFGMY-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001196637318 852990355 /nfs/dbraw/zinc/99/03/55/852990355.db2.gz IZXLUBGLBMFGMY-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)C(C)C ZINC001197017415 853049953 /nfs/dbraw/zinc/04/99/53/853049953.db2.gz GHQHNTQKHKUCAI-BRWVUGGUSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C(C)C ZINC001197017415 853049960 /nfs/dbraw/zinc/04/99/60/853049960.db2.gz GHQHNTQKHKUCAI-BRWVUGGUSA-N 2 1 351.495 0.411 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948377 853190072 /nfs/dbraw/zinc/19/00/72/853190072.db2.gz HIDHMROGWNNVPG-HUUCEWRRSA-N 2 1 353.467 0.204 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948377 853190073 /nfs/dbraw/zinc/19/00/73/853190073.db2.gz HIDHMROGWNNVPG-HUUCEWRRSA-N 2 1 353.467 0.204 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198020231 853205485 /nfs/dbraw/zinc/20/54/85/853205485.db2.gz JMUSRFCZWHGNRY-HZPDHXFCSA-N 2 1 356.511 0.135 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O ZINC001198688021 853301488 /nfs/dbraw/zinc/30/14/88/853301488.db2.gz DCASXSZBOWMOAL-KBAYOESNSA-N 2 1 351.491 0.616 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001198699105 853304001 /nfs/dbraw/zinc/30/40/01/853304001.db2.gz IVOUIWCAFANYAK-USXIJHARSA-N 2 1 353.507 0.552 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001199057977 853362126 /nfs/dbraw/zinc/36/21/26/853362126.db2.gz YYZMYFCMIRVWBB-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnc3)C2)C1 ZINC001199398493 853419510 /nfs/dbraw/zinc/41/95/10/853419510.db2.gz SAWGOMFPMRREPR-BHUNQDJPSA-N 2 1 350.463 0.640 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200644428 853506886 /nfs/dbraw/zinc/50/68/86/853506886.db2.gz LJBZBLAXTZIAAT-GDBMZVCRSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCO[C@H]3CC3(F)F)CC2)O1 ZINC001201240339 853521337 /nfs/dbraw/zinc/52/13/37/853521337.db2.gz SUDVTPIGGFVQCI-YUELXQCFSA-N 2 1 361.433 0.710 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCO[C@H]3CC3(F)F)CC2)O1 ZINC001201240339 853521342 /nfs/dbraw/zinc/52/13/42/853521342.db2.gz SUDVTPIGGFVQCI-YUELXQCFSA-N 2 1 361.433 0.710 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3nccs3)CC2)C1=O ZINC001204546560 853590919 /nfs/dbraw/zinc/59/09/19/853590919.db2.gz UGCPIALDSSNGTI-UHFFFAOYSA-N 2 1 351.520 0.813 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3nccs3)CC2)C1=O ZINC001204546560 853590924 /nfs/dbraw/zinc/59/09/24/853590924.db2.gz UGCPIALDSSNGTI-UHFFFAOYSA-N 2 1 351.520 0.813 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001205518981 853620165 /nfs/dbraw/zinc/62/01/65/853620165.db2.gz QWMCCVPIBBVEFY-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001205518981 853620172 /nfs/dbraw/zinc/62/01/72/853620172.db2.gz QWMCCVPIBBVEFY-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739934 853716479 /nfs/dbraw/zinc/71/64/79/853716479.db2.gz XBDPLJSAPRYILV-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739934 853716487 /nfs/dbraw/zinc/71/64/87/853716487.db2.gz XBDPLJSAPRYILV-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001206739934 853716495 /nfs/dbraw/zinc/71/64/95/853716495.db2.gz XBDPLJSAPRYILV-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001206739934 853716502 /nfs/dbraw/zinc/71/65/02/853716502.db2.gz XBDPLJSAPRYILV-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986495 853776607 /nfs/dbraw/zinc/77/66/07/853776607.db2.gz QZJIKLLDFWUQDA-NVXWUHKLSA-N 2 1 351.495 0.921 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263239 853795571 /nfs/dbraw/zinc/79/55/71/853795571.db2.gz QCMUGNRQPHBPQI-OWCLPIDISA-N 2 1 358.502 0.971 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263239 853795575 /nfs/dbraw/zinc/79/55/75/853795575.db2.gz QCMUGNRQPHBPQI-OWCLPIDISA-N 2 1 358.502 0.971 20 0 FCADMP COCCN1CCN(C)C2(CC[NH+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207279322 853796570 /nfs/dbraw/zinc/79/65/70/853796570.db2.gz KLAKVANAUMVVDG-UHFFFAOYSA-N 2 1 354.539 0.829 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001207541167 853822378 /nfs/dbraw/zinc/82/23/78/853822378.db2.gz XATZYJPTZHNUDP-OAGGEKHMSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001207541167 853822382 /nfs/dbraw/zinc/82/23/82/853822382.db2.gz XATZYJPTZHNUDP-OAGGEKHMSA-N 2 1 350.507 0.917 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547093 853823396 /nfs/dbraw/zinc/82/33/96/853823396.db2.gz KUQSNTFDPRDNOD-OAGGEKHMSA-N 2 1 350.463 0.860 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547093 853823400 /nfs/dbraw/zinc/82/34/00/853823400.db2.gz KUQSNTFDPRDNOD-OAGGEKHMSA-N 2 1 350.463 0.860 20 0 FCADMP C[NH+](C)CCN1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001208092391 853894844 /nfs/dbraw/zinc/89/48/44/853894844.db2.gz FYGHVEGSURSPKN-MRXNPFEDSA-N 2 1 356.511 0.802 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163951 853901710 /nfs/dbraw/zinc/90/17/10/853901710.db2.gz LILWUALHJZHZPX-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405317 853927753 /nfs/dbraw/zinc/92/77/53/853927753.db2.gz RQVHHOGXXRSYQB-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405317 853927754 /nfs/dbraw/zinc/92/77/54/853927754.db2.gz RQVHHOGXXRSYQB-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405317 853927758 /nfs/dbraw/zinc/92/77/58/853927758.db2.gz RQVHHOGXXRSYQB-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405317 853927760 /nfs/dbraw/zinc/92/77/60/853927760.db2.gz RQVHHOGXXRSYQB-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432348 853933738 /nfs/dbraw/zinc/93/37/38/853933738.db2.gz YSVIHMOOURRAOS-GDBMZVCRSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432348 853933742 /nfs/dbraw/zinc/93/37/42/853933742.db2.gz YSVIHMOOURRAOS-GDBMZVCRSA-N 2 1 371.547 0.590 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530327 853946774 /nfs/dbraw/zinc/94/67/74/853946774.db2.gz PUFOKYUXWWRUNP-BFYDXBDKSA-N 2 1 356.511 0.162 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530327 853946782 /nfs/dbraw/zinc/94/67/82/853946782.db2.gz PUFOKYUXWWRUNP-BFYDXBDKSA-N 2 1 356.511 0.162 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591099 853957009 /nfs/dbraw/zinc/95/70/09/853957009.db2.gz PWLRNTRASODXSE-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591099 853957011 /nfs/dbraw/zinc/95/70/11/853957011.db2.gz PWLRNTRASODXSE-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208591099 853957013 /nfs/dbraw/zinc/95/70/13/853957013.db2.gz PWLRNTRASODXSE-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208591099 853957016 /nfs/dbraw/zinc/95/70/16/853957016.db2.gz PWLRNTRASODXSE-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208599425 853958871 /nfs/dbraw/zinc/95/88/71/853958871.db2.gz HKQCALKGEMBROQ-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613583 853960220 /nfs/dbraw/zinc/96/02/20/853960220.db2.gz OLMHSDMBYCLXGE-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208613583 853960223 /nfs/dbraw/zinc/96/02/23/853960223.db2.gz OLMHSDMBYCLXGE-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208613583 853960225 /nfs/dbraw/zinc/96/02/25/853960225.db2.gz OLMHSDMBYCLXGE-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208613583 853960228 /nfs/dbraw/zinc/96/02/28/853960228.db2.gz OLMHSDMBYCLXGE-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001209450648 854028775 /nfs/dbraw/zinc/02/87/75/854028775.db2.gz PDSAHDHOSQDAEL-SJORKVTESA-N 2 1 358.552 0.923 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001209634313 854042731 /nfs/dbraw/zinc/04/27/31/854042731.db2.gz CPEIVJJAJFYXEB-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001209642898 854043265 /nfs/dbraw/zinc/04/32/65/854043265.db2.gz RMZCUMLLYIUXQV-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210041575 854072940 /nfs/dbraw/zinc/07/29/40/854072940.db2.gz VYDMREPIORGXTJ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210041575 854072944 /nfs/dbraw/zinc/07/29/44/854072944.db2.gz VYDMREPIORGXTJ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210041575 854072956 /nfs/dbraw/zinc/07/29/56/854072956.db2.gz VYDMREPIORGXTJ-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277207 854095154 /nfs/dbraw/zinc/09/51/54/854095154.db2.gz QRIFBLLEVXQUKY-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210277207 854095161 /nfs/dbraw/zinc/09/51/61/854095161.db2.gz QRIFBLLEVXQUKY-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210277207 854095166 /nfs/dbraw/zinc/09/51/66/854095166.db2.gz QRIFBLLEVXQUKY-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001210330183 854101509 /nfs/dbraw/zinc/10/15/09/854101509.db2.gz QRSWERDBMRVTOB-RRFJBIMHSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001210330183 854101511 /nfs/dbraw/zinc/10/15/11/854101511.db2.gz QRSWERDBMRVTOB-RRFJBIMHSA-N 2 1 357.520 0.199 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330194 854101703 /nfs/dbraw/zinc/10/17/03/854101703.db2.gz RCDBAOCYVNQJQJ-OWCLPIDISA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330194 854101708 /nfs/dbraw/zinc/10/17/08/854101708.db2.gz RCDBAOCYVNQJQJ-OWCLPIDISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001210330182 854101831 /nfs/dbraw/zinc/10/18/31/854101831.db2.gz QRSWERDBMRVTOB-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001210330182 854101836 /nfs/dbraw/zinc/10/18/36/854101836.db2.gz QRSWERDBMRVTOB-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210432706 854109759 /nfs/dbraw/zinc/10/97/59/854109759.db2.gz DJXVIDKIKQXSTL-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210432706 854109763 /nfs/dbraw/zinc/10/97/63/854109763.db2.gz DJXVIDKIKQXSTL-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001210485745 854114659 /nfs/dbraw/zinc/11/46/59/854114659.db2.gz KILDLLNASIRJJA-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001210485745 854114663 /nfs/dbraw/zinc/11/46/63/854114663.db2.gz KILDLLNASIRJJA-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001210485745 854114666 /nfs/dbraw/zinc/11/46/66/854114666.db2.gz KILDLLNASIRJJA-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001210485745 854114671 /nfs/dbraw/zinc/11/46/71/854114671.db2.gz KILDLLNASIRJJA-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514419 854115605 /nfs/dbraw/zinc/11/56/05/854115605.db2.gz SNIWSKHRDAJKOC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514419 854115608 /nfs/dbraw/zinc/11/56/08/854115608.db2.gz SNIWSKHRDAJKOC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514419 854115611 /nfs/dbraw/zinc/11/56/11/854115611.db2.gz SNIWSKHRDAJKOC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001210514419 854115613 /nfs/dbraw/zinc/11/56/13/854115613.db2.gz SNIWSKHRDAJKOC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366618 854181819 /nfs/dbraw/zinc/18/18/19/854181819.db2.gz GFYAZIQGYNTMNB-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001211370960 854183186 /nfs/dbraw/zinc/18/31/86/854183186.db2.gz FSAZGOCFEYENMQ-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001211370960 854183189 /nfs/dbraw/zinc/18/31/89/854183189.db2.gz FSAZGOCFEYENMQ-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001211370960 854183194 /nfs/dbraw/zinc/18/31/94/854183194.db2.gz FSAZGOCFEYENMQ-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001211370960 854183198 /nfs/dbraw/zinc/18/31/98/854183198.db2.gz FSAZGOCFEYENMQ-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254467 854416856 /nfs/dbraw/zinc/41/68/56/854416856.db2.gz XJIMAJGEVRFBJV-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254467 854416858 /nfs/dbraw/zinc/41/68/58/854416858.db2.gz XJIMAJGEVRFBJV-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212254467 854416860 /nfs/dbraw/zinc/41/68/60/854416860.db2.gz XJIMAJGEVRFBJV-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254467 854416862 /nfs/dbraw/zinc/41/68/62/854416862.db2.gz XJIMAJGEVRFBJV-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293539 854430554 /nfs/dbraw/zinc/43/05/54/854430554.db2.gz VYTVFEXIKPZDSD-RCCFBDPRSA-N 2 1 351.491 0.570 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC ZINC001212353259 854448287 /nfs/dbraw/zinc/44/82/87/854448287.db2.gz NUBMGBBCYCACDB-BZUAXINKSA-N 2 1 355.458 0.378 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001212353259 854448291 /nfs/dbraw/zinc/44/82/91/854448291.db2.gz NUBMGBBCYCACDB-BZUAXINKSA-N 2 1 355.458 0.378 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458658 854486104 /nfs/dbraw/zinc/48/61/04/854486104.db2.gz MRSJNGNBOQMLPH-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335337 854578749 /nfs/dbraw/zinc/57/87/49/854578749.db2.gz BATNCJWQHUTCPG-USXIJHARSA-N 2 1 350.463 0.606 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335337 854578756 /nfs/dbraw/zinc/57/87/56/854578756.db2.gz BATNCJWQHUTCPG-USXIJHARSA-N 2 1 350.463 0.606 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346684 854583724 /nfs/dbraw/zinc/58/37/24/854583724.db2.gz YHOGRNHZFBEMRY-BZUAXINKSA-N 2 1 356.511 0.399 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346684 854583730 /nfs/dbraw/zinc/58/37/30/854583730.db2.gz YHOGRNHZFBEMRY-BZUAXINKSA-N 2 1 356.511 0.399 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580984 854674580 /nfs/dbraw/zinc/67/45/80/854674580.db2.gz LBWQHKMCYJSKRG-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580984 854674585 /nfs/dbraw/zinc/67/45/85/854674585.db2.gz LBWQHKMCYJSKRG-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638660 854694723 /nfs/dbraw/zinc/69/47/23/854694723.db2.gz YNABMMRVVNOESG-USXIJHARSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672008 854710251 /nfs/dbraw/zinc/71/02/51/854710251.db2.gz XTKCYXNUATWCNK-ARFHVFGLSA-N 2 1 356.511 0.399 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672008 854710260 /nfs/dbraw/zinc/71/02/60/854710260.db2.gz XTKCYXNUATWCNK-ARFHVFGLSA-N 2 1 356.511 0.399 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672008 854710271 /nfs/dbraw/zinc/71/02/71/854710271.db2.gz XTKCYXNUATWCNK-ARFHVFGLSA-N 2 1 356.511 0.399 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672008 854710280 /nfs/dbraw/zinc/71/02/80/854710280.db2.gz XTKCYXNUATWCNK-ARFHVFGLSA-N 2 1 356.511 0.399 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729968 854739584 /nfs/dbraw/zinc/73/95/84/854739584.db2.gz AFXBEHMBUHWNIH-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)C1 ZINC001213730082 854739660 /nfs/dbraw/zinc/73/96/60/854739660.db2.gz CSIDKIFPUORRPZ-BHUNQDJPSA-N 2 1 357.495 0.195 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730359 854740704 /nfs/dbraw/zinc/74/07/04/854740704.db2.gz MMWSUJMPKUZJLI-IAGOWNOFSA-N 2 1 357.495 0.197 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCC1 ZINC001213730552 854740746 /nfs/dbraw/zinc/74/07/46/854740746.db2.gz QOBYIMAOEPEJMO-IXDOHACOSA-N 2 1 357.495 0.195 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730647 854740886 /nfs/dbraw/zinc/74/08/86/854740886.db2.gz UGUKRKJTBGWPHO-HUUCEWRRSA-N 2 1 356.492 0.079 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730647 854740894 /nfs/dbraw/zinc/74/08/94/854740894.db2.gz UGUKRKJTBGWPHO-HUUCEWRRSA-N 2 1 356.492 0.079 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763293 854757542 /nfs/dbraw/zinc/75/75/42/854757542.db2.gz NBZFNZTZTYJFCD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763293 854757545 /nfs/dbraw/zinc/75/75/45/854757545.db2.gz NBZFNZTZTYJFCD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763293 854757548 /nfs/dbraw/zinc/75/75/48/854757548.db2.gz NBZFNZTZTYJFCD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763293 854757550 /nfs/dbraw/zinc/75/75/50/854757550.db2.gz NBZFNZTZTYJFCD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC001214389135 854937916 /nfs/dbraw/zinc/93/79/16/854937916.db2.gz QDRRRIRFTKAKJB-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC001214389135 854937929 /nfs/dbraw/zinc/93/79/29/854937929.db2.gz QDRRRIRFTKAKJB-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214780422 855012123 /nfs/dbraw/zinc/01/21/23/855012123.db2.gz ZLRMRFDDVBQURE-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214855805 855023641 /nfs/dbraw/zinc/02/36/41/855023641.db2.gz OEAFCADOVXYMFP-OIISXLGYSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214855976 855024543 /nfs/dbraw/zinc/02/45/43/855024543.db2.gz SYNWOBCNNCYDGA-KFWWJZLASA-N 2 1 368.503 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214889843 855028421 /nfs/dbraw/zinc/02/84/21/855028421.db2.gz QDTQIOWFUZMIFH-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001215002110 855050719 /nfs/dbraw/zinc/05/07/19/855050719.db2.gz ZMMQCGGCCNQFRM-ZIAGYGMSSA-N 2 1 351.499 0.921 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001215002110 855050728 /nfs/dbraw/zinc/05/07/28/855050728.db2.gz ZMMQCGGCCNQFRM-ZIAGYGMSSA-N 2 1 351.499 0.921 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024069 855054063 /nfs/dbraw/zinc/05/40/63/855054063.db2.gz FPKQULCXDDNLIF-CZUORRHYSA-N 2 1 354.451 0.449 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215380798 855106152 /nfs/dbraw/zinc/10/61/52/855106152.db2.gz AGGPRBOHLYRITH-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215539863 855126710 /nfs/dbraw/zinc/12/67/10/855126710.db2.gz AULDMQMJXYBYJX-RKVPGOIHSA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)C(C)C ZINC001215977988 855162358 /nfs/dbraw/zinc/16/23/58/855162358.db2.gz UPOBRLAJZSLPNX-FMKPAKJESA-N 2 1 351.499 0.513 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216383369 855196907 /nfs/dbraw/zinc/19/69/07/855196907.db2.gz KYGXLVLAZPAEAA-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216490734 855207238 /nfs/dbraw/zinc/20/72/38/855207238.db2.gz MKWLHSSOPZOULO-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001216490943 855207425 /nfs/dbraw/zinc/20/74/25/855207425.db2.gz XPSPDGNDLKJKKV-HUUCEWRRSA-N 2 1 351.499 0.922 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001216490943 855207429 /nfs/dbraw/zinc/20/74/29/855207429.db2.gz XPSPDGNDLKJKKV-HUUCEWRRSA-N 2 1 351.499 0.922 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216511603 855209317 /nfs/dbraw/zinc/20/93/17/855209317.db2.gz WMLYKNUZGHYQAE-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216756190 855232703 /nfs/dbraw/zinc/23/27/03/855232703.db2.gz WFLADVISNZBTNU-ZYHUDNBSSA-N 2 1 363.447 0.118 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)s1 ZINC001216754312 855232884 /nfs/dbraw/zinc/23/28/84/855232884.db2.gz OXKWLTJVFOJSIH-KGYLQXTDSA-N 2 1 366.491 0.173 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)s1 ZINC001216754313 855233013 /nfs/dbraw/zinc/23/30/13/855233013.db2.gz OXKWLTJVFOJSIH-RAIGVLPGSA-N 2 1 366.491 0.173 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC001216757949 855233755 /nfs/dbraw/zinc/23/37/55/855233755.db2.gz SIBBMWZPLBECHV-HYVNUMGLSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001216758176 855234159 /nfs/dbraw/zinc/23/41/59/855234159.db2.gz YUHIWVBXNPWTJL-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CCC3)C2)C1 ZINC001216800702 855247006 /nfs/dbraw/zinc/24/70/06/855247006.db2.gz CYHVGESOYPTROH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CCC3)C2)C1 ZINC001216800702 855247009 /nfs/dbraw/zinc/24/70/09/855247009.db2.gz CYHVGESOYPTROH-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001218086307 855395681 /nfs/dbraw/zinc/39/56/81/855395681.db2.gz NIAGEAHTSKMHOQ-VIFPVBQESA-N 2 1 352.391 0.062 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001218212310 855407096 /nfs/dbraw/zinc/40/70/96/855407096.db2.gz WVRCCVVGJNZXCI-LLVKDONJSA-N 2 1 352.435 0.624 20 0 FCADMP C[N@@H+](CCC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21)C1CCCCC1 ZINC001218363138 855418513 /nfs/dbraw/zinc/41/85/13/855418513.db2.gz JIHDZSUIGSWCPG-ZWKOTPCHSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](CCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)C1CCCCC1 ZINC001218363138 855418517 /nfs/dbraw/zinc/41/85/17/855418517.db2.gz JIHDZSUIGSWCPG-ZWKOTPCHSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)C1CCCCC1 ZINC001218363138 855418520 /nfs/dbraw/zinc/41/85/20/855418520.db2.gz JIHDZSUIGSWCPG-ZWKOTPCHSA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001279136123 862685223 /nfs/dbraw/zinc/68/52/23/862685223.db2.gz XZLFZRSRVNNURX-KGLIPLIRSA-N 2 1 353.488 0.966 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001279136123 862685227 /nfs/dbraw/zinc/68/52/27/862685227.db2.gz XZLFZRSRVNNURX-KGLIPLIRSA-N 2 1 353.488 0.966 20 0 FCADMP CC/C=C\CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042256 855523230 /nfs/dbraw/zinc/52/32/30/855523230.db2.gz AOFUMPVRPSXQJW-CPRFOPHYSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C\CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042256 855523232 /nfs/dbraw/zinc/52/32/32/855523232.db2.gz AOFUMPVRPSXQJW-CPRFOPHYSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219042256 855523237 /nfs/dbraw/zinc/52/32/37/855523237.db2.gz AOFUMPVRPSXQJW-CPRFOPHYSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219042256 855523240 /nfs/dbraw/zinc/52/32/40/855523240.db2.gz AOFUMPVRPSXQJW-CPRFOPHYSA-N 2 1 351.491 0.975 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCOC)C[C@@H]32)C1 ZINC001219043845 855524215 /nfs/dbraw/zinc/52/42/15/855524215.db2.gz KUQSJQSRGIVUDY-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCOC)C[C@@H]32)C1 ZINC001219043845 855524216 /nfs/dbraw/zinc/52/42/16/855524216.db2.gz KUQSJQSRGIVUDY-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCOC)C[C@@H]32)C1 ZINC001219043845 855524218 /nfs/dbraw/zinc/52/42/18/855524218.db2.gz KUQSJQSRGIVUDY-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCOC)C[C@@H]32)C1 ZINC001219043845 855524220 /nfs/dbraw/zinc/52/42/20/855524220.db2.gz KUQSJQSRGIVUDY-GVDBMIGSSA-N 2 1 355.479 0.045 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001219055167 855529677 /nfs/dbraw/zinc/52/96/77/855529677.db2.gz ZIWYVYULNVJPJL-JKSUJKDBSA-N 2 1 352.504 0.937 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001219055167 855529682 /nfs/dbraw/zinc/52/96/82/855529682.db2.gz ZIWYVYULNVJPJL-JKSUJKDBSA-N 2 1 352.504 0.937 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001219055167 855529688 /nfs/dbraw/zinc/52/96/88/855529688.db2.gz ZIWYVYULNVJPJL-JKSUJKDBSA-N 2 1 352.504 0.937 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001219055167 855529693 /nfs/dbraw/zinc/52/96/93/855529693.db2.gz ZIWYVYULNVJPJL-JKSUJKDBSA-N 2 1 352.504 0.937 20 0 FCADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795700 855817391 /nfs/dbraw/zinc/81/73/91/855817391.db2.gz DYZRCUBHGMEREX-SFHVURJKSA-N 3 1 353.555 0.815 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)s1 ZINC001219800088 855819151 /nfs/dbraw/zinc/81/91/51/855819151.db2.gz GESPIOPXNAWIPB-KGLIPLIRSA-N 2 1 352.504 0.906 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)s1 ZINC001219800088 855819158 /nfs/dbraw/zinc/81/91/58/855819158.db2.gz GESPIOPXNAWIPB-KGLIPLIRSA-N 2 1 352.504 0.906 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803651 855821683 /nfs/dbraw/zinc/82/16/83/855821683.db2.gz CABXGJGZCIRUBR-OAGGEKHMSA-N 2 1 350.463 0.739 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803651 855821689 /nfs/dbraw/zinc/82/16/89/855821689.db2.gz CABXGJGZCIRUBR-OAGGEKHMSA-N 2 1 350.463 0.739 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804546 855822952 /nfs/dbraw/zinc/82/29/52/855822952.db2.gz ZKGLFMJIFFRKQQ-OAGGEKHMSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804546 855822955 /nfs/dbraw/zinc/82/29/55/855822955.db2.gz ZKGLFMJIFFRKQQ-OAGGEKHMSA-N 2 1 350.463 0.737 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001219830009 855834416 /nfs/dbraw/zinc/83/44/16/855834416.db2.gz LDUNGLDAMYFXKR-BMFZPTHFSA-N 2 1 352.504 0.721 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001219830009 855834425 /nfs/dbraw/zinc/83/44/25/855834425.db2.gz LDUNGLDAMYFXKR-BMFZPTHFSA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219830009 855834436 /nfs/dbraw/zinc/83/44/36/855834436.db2.gz LDUNGLDAMYFXKR-BMFZPTHFSA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219830009 855834445 /nfs/dbraw/zinc/83/44/45/855834445.db2.gz LDUNGLDAMYFXKR-BMFZPTHFSA-N 2 1 352.504 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001219866966 855854353 /nfs/dbraw/zinc/85/43/53/855854353.db2.gz GJZPXBDUNDIPEO-SJORKVTESA-N 2 1 351.491 0.450 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001219866966 855854359 /nfs/dbraw/zinc/85/43/59/855854359.db2.gz GJZPXBDUNDIPEO-SJORKVTESA-N 2 1 351.491 0.450 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219904636 855873303 /nfs/dbraw/zinc/87/33/03/855873303.db2.gz JOQXIZKHIWQFSD-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219904636 855873308 /nfs/dbraw/zinc/87/33/08/855873308.db2.gz JOQXIZKHIWQFSD-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219904636 855873316 /nfs/dbraw/zinc/87/33/16/855873316.db2.gz JOQXIZKHIWQFSD-XHSDSOJGSA-N 2 1 357.495 0.074 20 0 FCADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034549 855928031 /nfs/dbraw/zinc/92/80/31/855928031.db2.gz TYYOPBHLPDXLTJ-XFHVWQCUSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034549 855928035 /nfs/dbraw/zinc/92/80/35/855928035.db2.gz TYYOPBHLPDXLTJ-XFHVWQCUSA-N 2 1 351.491 0.591 20 0 FCADMP CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034549 855928040 /nfs/dbraw/zinc/92/80/40/855928040.db2.gz TYYOPBHLPDXLTJ-XFHVWQCUSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220273431 856039412 /nfs/dbraw/zinc/03/94/12/856039412.db2.gz KRFPIYAGTBYAFB-OAGGEKHMSA-N 2 1 356.511 0.133 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220273431 856039422 /nfs/dbraw/zinc/03/94/22/856039422.db2.gz KRFPIYAGTBYAFB-OAGGEKHMSA-N 2 1 356.511 0.133 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001220273787 856039671 /nfs/dbraw/zinc/03/96/71/856039671.db2.gz SIORFWMDGVPHGL-CVEARBPZSA-N 2 1 355.866 0.832 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001220273787 856039678 /nfs/dbraw/zinc/03/96/78/856039678.db2.gz SIORFWMDGVPHGL-CVEARBPZSA-N 2 1 355.866 0.832 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297226 856050970 /nfs/dbraw/zinc/05/09/70/856050970.db2.gz QIDNSJUXORKFOG-IJEWVQPXSA-N 2 1 354.520 0.742 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297226 856050977 /nfs/dbraw/zinc/05/09/77/856050977.db2.gz QIDNSJUXORKFOG-IJEWVQPXSA-N 2 1 354.520 0.742 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369348 856089132 /nfs/dbraw/zinc/08/91/32/856089132.db2.gz HJCYAEMPEUUOBM-IKGGRYGDSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369348 856089141 /nfs/dbraw/zinc/08/91/41/856089141.db2.gz HJCYAEMPEUUOBM-IKGGRYGDSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369348 856089146 /nfs/dbraw/zinc/08/91/46/856089146.db2.gz HJCYAEMPEUUOBM-IKGGRYGDSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001220380250 856096856 /nfs/dbraw/zinc/09/68/56/856096856.db2.gz VTHIOYVBIOBUEQ-IKGGRYGDSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001220380250 856096858 /nfs/dbraw/zinc/09/68/58/856096858.db2.gz VTHIOYVBIOBUEQ-IKGGRYGDSA-N 2 1 353.438 0.706 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220550169 856179865 /nfs/dbraw/zinc/17/98/65/856179865.db2.gz LQKDCFMBUMUMGF-ZACQAIPSSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220550169 856179874 /nfs/dbraw/zinc/17/98/74/856179874.db2.gz LQKDCFMBUMUMGF-ZACQAIPSSA-N 2 1 350.463 0.702 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@@H]1O ZINC001220553368 856180890 /nfs/dbraw/zinc/18/08/90/856180890.db2.gz GMCPOFLUTNGRRP-MSOLQXFVSA-N 2 1 351.491 0.761 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@@H]1O ZINC001220553368 856180895 /nfs/dbraw/zinc/18/08/95/856180895.db2.gz GMCPOFLUTNGRRP-MSOLQXFVSA-N 2 1 351.491 0.761 20 0 FCADMP CCCCCCOC(=O)CCC(=O)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220568194 856188469 /nfs/dbraw/zinc/18/84/69/856188469.db2.gz ZUWQWTHWTLJTJN-UHFFFAOYSA-N 2 1 355.479 0.917 20 0 FCADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643006 856216900 /nfs/dbraw/zinc/21/69/00/856216900.db2.gz PTVKEXVEIKTSQV-NXHRZFHOSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001220768635 856290669 /nfs/dbraw/zinc/29/06/69/856290669.db2.gz WFPDWQDHAKWESR-KFWWJZLASA-N 2 1 363.449 0.551 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801742 856307990 /nfs/dbraw/zinc/30/79/90/856307990.db2.gz KIGHDXBCMJWZRX-XHSDSOJGSA-N 2 1 356.511 0.137 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801742 856307998 /nfs/dbraw/zinc/30/79/98/856307998.db2.gz KIGHDXBCMJWZRX-XHSDSOJGSA-N 2 1 356.511 0.137 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917071 856373520 /nfs/dbraw/zinc/37/35/20/856373520.db2.gz LUIPYZQANWSWSC-ROUUACIJSA-N 2 1 351.539 0.508 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917071 856373523 /nfs/dbraw/zinc/37/35/23/856373523.db2.gz LUIPYZQANWSWSC-ROUUACIJSA-N 3 1 351.539 0.508 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917071 856373529 /nfs/dbraw/zinc/37/35/29/856373529.db2.gz LUIPYZQANWSWSC-ROUUACIJSA-N 3 1 351.539 0.508 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976146 856404175 /nfs/dbraw/zinc/40/41/75/856404175.db2.gz LOFZAPKBJIYKKD-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976146 856404180 /nfs/dbraw/zinc/40/41/80/856404180.db2.gz LOFZAPKBJIYKKD-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976146 856404183 /nfs/dbraw/zinc/40/41/83/856404183.db2.gz LOFZAPKBJIYKKD-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220985757 856407383 /nfs/dbraw/zinc/40/73/83/856407383.db2.gz DXRKBYNHSXEXNP-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001221007010 856419384 /nfs/dbraw/zinc/41/93/84/856419384.db2.gz RPJCHTLKOJUYEU-JYJNAYRXSA-N 2 1 355.527 0.151 20 0 FCADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221008210 856421815 /nfs/dbraw/zinc/42/18/15/856421815.db2.gz NBNMVKJKXQLEDS-ZDUSSCGKSA-N 2 1 362.455 0.365 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073430 856449921 /nfs/dbraw/zinc/44/99/21/856449921.db2.gz WMFXMQDAVFMTLO-HIEASXQVSA-N 2 1 353.507 0.839 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081076 856452273 /nfs/dbraw/zinc/45/22/73/856452273.db2.gz DRNNPIKHCZTXJE-PMPSAXMXSA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081076 856452280 /nfs/dbraw/zinc/45/22/80/856452280.db2.gz DRNNPIKHCZTXJE-PMPSAXMXSA-N 2 1 354.495 0.068 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091582 856459904 /nfs/dbraw/zinc/45/99/04/856459904.db2.gz REBQDQZSJSONKW-IKGGRYGDSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091582 856459913 /nfs/dbraw/zinc/45/99/13/856459913.db2.gz REBQDQZSJSONKW-IKGGRYGDSA-N 2 1 366.531 0.967 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221359127 856554964 /nfs/dbraw/zinc/55/49/64/856554964.db2.gz UNEYZDUKUDOJNN-HOTGVXAUSA-N 2 1 356.511 0.483 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(Cl)cc1 ZINC001221414109 856560461 /nfs/dbraw/zinc/56/04/61/856560461.db2.gz SJEOTCNUSWVKEW-OAGGEKHMSA-N 2 1 355.866 0.798 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(Cl)cc1 ZINC001221414111 856560506 /nfs/dbraw/zinc/56/05/06/856560506.db2.gz SJEOTCNUSWVKEW-XHSDSOJGSA-N 2 1 355.866 0.798 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407869 856560611 /nfs/dbraw/zinc/56/06/11/856560611.db2.gz FFUDXPCSXUVKOY-XQLPTFJDSA-N 2 1 354.495 0.532 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560897 856605985 /nfs/dbraw/zinc/60/59/85/856605985.db2.gz NWGYDXLMDMHWKE-QBPKDAKJSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560897 856605986 /nfs/dbraw/zinc/60/59/86/856605986.db2.gz NWGYDXLMDMHWKE-QBPKDAKJSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560897 856605991 /nfs/dbraw/zinc/60/59/91/856605991.db2.gz NWGYDXLMDMHWKE-QBPKDAKJSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560897 856605994 /nfs/dbraw/zinc/60/59/94/856605994.db2.gz NWGYDXLMDMHWKE-QBPKDAKJSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C(C)C)C[C@H]21)[NH+](C)C ZINC001221631488 856630409 /nfs/dbraw/zinc/63/04/09/856630409.db2.gz SCEKPGHENHVLTG-NUJGCVRESA-N 2 1 352.523 0.972 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C(C)C)C[C@H]21)[NH+](C)C ZINC001221631488 856630414 /nfs/dbraw/zinc/63/04/14/856630414.db2.gz SCEKPGHENHVLTG-NUJGCVRESA-N 2 1 352.523 0.972 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001221644514 856636346 /nfs/dbraw/zinc/63/63/46/856636346.db2.gz MKZYCHAWECWRAJ-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221664358 856644344 /nfs/dbraw/zinc/64/43/44/856644344.db2.gz QRIKNHVPUTXAFG-FGTMMUONSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221664358 856644348 /nfs/dbraw/zinc/64/43/48/856644348.db2.gz QRIKNHVPUTXAFG-FGTMMUONSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221664358 856644352 /nfs/dbraw/zinc/64/43/52/856644352.db2.gz QRIKNHVPUTXAFG-FGTMMUONSA-N 2 1 353.507 0.648 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221776858 856678165 /nfs/dbraw/zinc/67/81/65/856678165.db2.gz HDJSHZSNCVPTHV-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221776858 856678176 /nfs/dbraw/zinc/67/81/76/856678176.db2.gz HDJSHZSNCVPTHV-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221776859 856678772 /nfs/dbraw/zinc/67/87/72/856678772.db2.gz HDJSHZSNCVPTHV-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221776859 856678779 /nfs/dbraw/zinc/67/87/79/856678779.db2.gz HDJSHZSNCVPTHV-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001221789268 856684394 /nfs/dbraw/zinc/68/43/94/856684394.db2.gz MXYDMUJJYFYUBG-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001221789268 856684401 /nfs/dbraw/zinc/68/44/01/856684401.db2.gz MXYDMUJJYFYUBG-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789123 856684565 /nfs/dbraw/zinc/68/45/65/856684565.db2.gz GXBINQIUFRZNTJ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789123 856684569 /nfs/dbraw/zinc/68/45/69/856684569.db2.gz GXBINQIUFRZNTJ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873223 856717903 /nfs/dbraw/zinc/71/79/03/856717903.db2.gz TWJKHGOQQVHLTC-IXDOHACOSA-N 2 1 350.463 0.512 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873223 856717911 /nfs/dbraw/zinc/71/79/11/856717911.db2.gz TWJKHGOQQVHLTC-IXDOHACOSA-N 2 1 350.463 0.512 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920493 856733643 /nfs/dbraw/zinc/73/36/43/856733643.db2.gz IFROUBNGQZKPIJ-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920493 856733646 /nfs/dbraw/zinc/73/36/46/856733646.db2.gz IFROUBNGQZKPIJ-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920493 856733648 /nfs/dbraw/zinc/73/36/48/856733648.db2.gz IFROUBNGQZKPIJ-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920493 856733651 /nfs/dbraw/zinc/73/36/51/856733651.db2.gz IFROUBNGQZKPIJ-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968857 856751911 /nfs/dbraw/zinc/75/19/11/856751911.db2.gz DGMJZBYDTZCRDM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968857 856751919 /nfs/dbraw/zinc/75/19/19/856751919.db2.gz DGMJZBYDTZCRDM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968857 856751927 /nfs/dbraw/zinc/75/19/27/856751927.db2.gz DGMJZBYDTZCRDM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968857 856751932 /nfs/dbraw/zinc/75/19/32/856751932.db2.gz DGMJZBYDTZCRDM-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968932 856752571 /nfs/dbraw/zinc/75/25/71/856752571.db2.gz HXJKDFATCVUAMC-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968932 856752576 /nfs/dbraw/zinc/75/25/76/856752576.db2.gz HXJKDFATCVUAMC-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968932 856752583 /nfs/dbraw/zinc/75/25/83/856752583.db2.gz HXJKDFATCVUAMC-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221968932 856752589 /nfs/dbraw/zinc/75/25/89/856752589.db2.gz HXJKDFATCVUAMC-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968014 856752642 /nfs/dbraw/zinc/75/26/42/856752642.db2.gz CHNRSXSOTKAMPX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968014 856752646 /nfs/dbraw/zinc/75/26/46/856752646.db2.gz CHNRSXSOTKAMPX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968014 856752652 /nfs/dbraw/zinc/75/26/52/856752652.db2.gz CHNRSXSOTKAMPX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001221968014 856752658 /nfs/dbraw/zinc/75/26/58/856752658.db2.gz CHNRSXSOTKAMPX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089232 856798999 /nfs/dbraw/zinc/79/89/99/856798999.db2.gz FGKLFYVDUVKAGQ-KZNAEPCWSA-N 2 1 353.507 0.793 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489409 856845189 /nfs/dbraw/zinc/84/51/89/856845189.db2.gz UMYDKTFWVKCXKQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489409 856845191 /nfs/dbraw/zinc/84/51/91/856845191.db2.gz UMYDKTFWVKCXKQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489409 856845197 /nfs/dbraw/zinc/84/51/97/856845197.db2.gz UMYDKTFWVKCXKQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489409 856845204 /nfs/dbraw/zinc/84/52/04/856845204.db2.gz UMYDKTFWVKCXKQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC)[C@H]2C1 ZINC001222809926 856874269 /nfs/dbraw/zinc/87/42/69/856874269.db2.gz HJFNHPJCIGQNRP-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC)[C@H]2C1 ZINC001222809926 856874273 /nfs/dbraw/zinc/87/42/73/856874273.db2.gz HJFNHPJCIGQNRP-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC)[C@H]2C1 ZINC001222809926 856874278 /nfs/dbraw/zinc/87/42/78/856874278.db2.gz HJFNHPJCIGQNRP-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC)[C@H]2C1 ZINC001222809926 856874283 /nfs/dbraw/zinc/87/42/83/856874283.db2.gz HJFNHPJCIGQNRP-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424563 856914522 /nfs/dbraw/zinc/91/45/22/856914522.db2.gz DZVARPKZFKDPDD-KURKYZTESA-N 2 1 355.523 0.894 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223411160 856915845 /nfs/dbraw/zinc/91/58/45/856915845.db2.gz MNJIFJKHRTUUNF-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@H]2C1 ZINC001223429768 856915884 /nfs/dbraw/zinc/91/58/84/856915884.db2.gz ANFYAGWYEGMBBX-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1)[NH+](C)C ZINC001223512926 856923317 /nfs/dbraw/zinc/92/33/17/856923317.db2.gz RZOZOUQDOWPCID-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1)[NH+](C)C ZINC001223512778 856923700 /nfs/dbraw/zinc/92/37/00/856923700.db2.gz OURPFKYLIDQCJG-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1)[NH+](C)C ZINC001223512778 856923703 /nfs/dbraw/zinc/92/37/03/856923703.db2.gz OURPFKYLIDQCJG-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223726577 856939850 /nfs/dbraw/zinc/93/98/50/856939850.db2.gz JRYOCNYHWKUSHL-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737576 856940771 /nfs/dbraw/zinc/94/07/71/856940771.db2.gz PANONCIKNRJMCD-SQNIBIBYSA-N 2 1 353.507 0.648 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912241 856950944 /nfs/dbraw/zinc/95/09/44/856950944.db2.gz PLHCBXPHGXEJTG-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912241 856950950 /nfs/dbraw/zinc/95/09/50/856950950.db2.gz PLHCBXPHGXEJTG-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912241 856950956 /nfs/dbraw/zinc/95/09/56/856950956.db2.gz PLHCBXPHGXEJTG-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223978482 856954856 /nfs/dbraw/zinc/95/48/56/856954856.db2.gz ZQLKRRNWNYBDAE-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223978482 856954861 /nfs/dbraw/zinc/95/48/61/856954861.db2.gz ZQLKRRNWNYBDAE-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223978482 856954866 /nfs/dbraw/zinc/95/48/66/856954866.db2.gz ZQLKRRNWNYBDAE-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129171 856961399 /nfs/dbraw/zinc/96/13/99/856961399.db2.gz GBCBQYGPOATQNV-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129171 856961404 /nfs/dbraw/zinc/96/14/04/856961404.db2.gz GBCBQYGPOATQNV-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001224129171 856961407 /nfs/dbraw/zinc/96/14/07/856961407.db2.gz GBCBQYGPOATQNV-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129027 856961952 /nfs/dbraw/zinc/96/19/52/856961952.db2.gz CMYFIMACMWEFRF-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129027 856961961 /nfs/dbraw/zinc/96/19/61/856961961.db2.gz CMYFIMACMWEFRF-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129027 856961964 /nfs/dbraw/zinc/96/19/64/856961964.db2.gz CMYFIMACMWEFRF-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129027 856961969 /nfs/dbraw/zinc/96/19/69/856961969.db2.gz CMYFIMACMWEFRF-PMPSAXMXSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001224233136 856970265 /nfs/dbraw/zinc/97/02/65/856970265.db2.gz LHMWXVSOPYAIOJ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001224233136 856970271 /nfs/dbraw/zinc/97/02/71/856970271.db2.gz LHMWXVSOPYAIOJ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001224233136 856970274 /nfs/dbraw/zinc/97/02/74/856970274.db2.gz LHMWXVSOPYAIOJ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245806 856973141 /nfs/dbraw/zinc/97/31/41/856973141.db2.gz GCQHUDVSGSJCCI-BBWFWOEESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245806 856973152 /nfs/dbraw/zinc/97/31/52/856973152.db2.gz GCQHUDVSGSJCCI-BBWFWOEESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245806 856973163 /nfs/dbraw/zinc/97/31/63/856973163.db2.gz GCQHUDVSGSJCCI-BBWFWOEESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245806 856973175 /nfs/dbraw/zinc/97/31/75/856973175.db2.gz GCQHUDVSGSJCCI-BBWFWOEESA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001224246228 856973491 /nfs/dbraw/zinc/97/34/91/856973491.db2.gz XAZLDKLIMOCFKC-CVEARBPZSA-N 2 1 351.495 0.275 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001224246228 856973495 /nfs/dbraw/zinc/97/34/95/856973495.db2.gz XAZLDKLIMOCFKC-CVEARBPZSA-N 2 1 351.495 0.275 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001224246228 856973501 /nfs/dbraw/zinc/97/35/01/856973501.db2.gz XAZLDKLIMOCFKC-CVEARBPZSA-N 2 1 351.495 0.275 20 0 FCADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225346479 857035864 /nfs/dbraw/zinc/03/58/64/857035864.db2.gz NIBXZATUVNATHO-KFWWJZLASA-N 2 1 360.524 0.037 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225345553 857036323 /nfs/dbraw/zinc/03/63/23/857036323.db2.gz AAHGNHVVPVSUCE-BRWVUGGUSA-N 2 1 354.495 0.250 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225379152 857038577 /nfs/dbraw/zinc/03/85/77/857038577.db2.gz XZMRIHXYTAGZLN-OAGGEKHMSA-N 2 1 354.495 0.250 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226891913 857129526 /nfs/dbraw/zinc/12/95/26/857129526.db2.gz WKBMOFWLEZXODQ-BFHYXJOUSA-N 2 1 353.467 0.073 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001227454758 857160728 /nfs/dbraw/zinc/16/07/28/857160728.db2.gz UHBXCMAJQXKYRB-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001227454758 857160734 /nfs/dbraw/zinc/16/07/34/857160734.db2.gz UHBXCMAJQXKYRB-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC001228166960 857194322 /nfs/dbraw/zinc/19/43/22/857194322.db2.gz FJEQCCQKNPIDKE-BZUAXINKSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC001228166960 857194328 /nfs/dbraw/zinc/19/43/28/857194328.db2.gz FJEQCCQKNPIDKE-BZUAXINKSA-N 2 1 354.495 0.201 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001228365959 857206810 /nfs/dbraw/zinc/20/68/10/857206810.db2.gz KIOXFXFVJUAKEB-ZIAGYGMSSA-N 2 1 351.499 0.897 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229126356 857252222 /nfs/dbraw/zinc/25/22/22/857252222.db2.gz HTUIZTODKSGLRI-IAGOWNOFSA-N 2 1 352.479 0.998 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnns1 ZINC001229142336 857253159 /nfs/dbraw/zinc/25/31/59/857253159.db2.gz RLIJAQDLRWZZEG-HUUCEWRRSA-N 2 1 353.492 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001229693293 857282142 /nfs/dbraw/zinc/28/21/42/857282142.db2.gz QYNIECYEZGMOIG-USXIJHARSA-N 2 1 350.507 0.871 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229837744 857289242 /nfs/dbraw/zinc/28/92/42/857289242.db2.gz QXMXNXROEWEJSR-MGPQQGTHSA-N 2 1 355.483 0.319 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001229860063 857290160 /nfs/dbraw/zinc/29/01/60/857290160.db2.gz LFROONQJRUMUJX-CHWSQXEVSA-N 2 1 368.507 0.835 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229877678 857291305 /nfs/dbraw/zinc/29/13/05/857291305.db2.gz WSDSWYNXFGROQF-ZIAGYGMSSA-N 2 1 351.451 0.972 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138039 857305923 /nfs/dbraw/zinc/30/59/23/857305923.db2.gz DDWJJLINQHRPSU-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP Clc1nc(N2CCOCC2)sc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234987041 857416872 /nfs/dbraw/zinc/41/68/72/857416872.db2.gz MDCFCIOJKDFYLV-HNNXBMFYSA-N 2 1 357.911 0.770 20 0 FCADMP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC(N4CCC([NH3+])CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236582977 857442283 /nfs/dbraw/zinc/44/22/83/857442283.db2.gz SRHGRGWVIKJPOA-YVSFHVDLSA-N 2 1 355.479 0.111 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC(NS(=O)(=O)CC[NH3+])CC2)c1 ZINC001238808944 857480516 /nfs/dbraw/zinc/48/05/16/857480516.db2.gz WBEPFSAPAHHOAQ-UHFFFAOYSA-N 2 1 355.460 0.316 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001246018440 857564576 /nfs/dbraw/zinc/56/45/76/857564576.db2.gz DLGUSDIERJRFDU-PKOBYXMFSA-N 2 1 352.475 0.791 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1C(=O)OC ZINC001246138160 857569602 /nfs/dbraw/zinc/56/96/02/857569602.db2.gz ATXOHVHWXQHQRU-TUVASFSCSA-N 2 1 353.463 0.191 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246159699 857570445 /nfs/dbraw/zinc/57/04/45/857570445.db2.gz ZFTDUEQCDPKRLQ-NJGHQYNVSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246652384 857588447 /nfs/dbraw/zinc/58/84/47/857588447.db2.gz OMSVITTUWXQTKY-DEYYWGMASA-N 2 1 352.479 0.003 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693047 857590651 /nfs/dbraw/zinc/59/06/51/857590651.db2.gz JDGCLOPVPPJGFO-IKGGRYGDSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693047 857590659 /nfs/dbraw/zinc/59/06/59/857590659.db2.gz JDGCLOPVPPJGFO-IKGGRYGDSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CC[NH2+]1 ZINC001246697126 857590763 /nfs/dbraw/zinc/59/07/63/857590763.db2.gz UBZKASKKBIFBKO-IXDOHACOSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736218 857594878 /nfs/dbraw/zinc/59/48/78/857594878.db2.gz KFGVIRQORGSYNU-FAJBIJEISA-N 2 1 351.491 0.714 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC001246760953 857598144 /nfs/dbraw/zinc/59/81/44/857598144.db2.gz RRIKZOZSRYGMMG-ZJIFWQFVSA-N 2 1 362.499 0.271 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCN(C3(C)CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246812388 857602029 /nfs/dbraw/zinc/60/20/29/857602029.db2.gz ZPIYQBROGUFEDS-HOTGVXAUSA-N 2 1 352.523 0.818 20 0 FCADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001246925865 857606501 /nfs/dbraw/zinc/60/65/01/857606501.db2.gz PUSKLGDMFLSUCL-JWTNVVGKSA-N 3 1 351.539 0.508 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC001250968779 857673079 /nfs/dbraw/zinc/67/30/79/857673079.db2.gz GOLWHUYTGVEAOI-CYBMUJFWSA-N 2 1 367.412 0.412 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC001250968779 857673082 /nfs/dbraw/zinc/67/30/82/857673082.db2.gz GOLWHUYTGVEAOI-CYBMUJFWSA-N 2 1 367.412 0.412 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252676311 857830823 /nfs/dbraw/zinc/83/08/23/857830823.db2.gz FIKHPUZJKPXPLQ-MRXNPFEDSA-N 2 1 354.495 0.953 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]12 ZINC001253201906 857871489 /nfs/dbraw/zinc/87/14/89/857871489.db2.gz BCLCZVCDCVYGTO-KLHDSHLOSA-N 2 1 357.495 0.913 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1C(C)=O ZINC001256696546 858096679 /nfs/dbraw/zinc/09/66/79/858096679.db2.gz HOWYYAANVYUMDN-JCYILVPMSA-N 2 1 353.463 0.336 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1C(C)=O ZINC001256696546 858096683 /nfs/dbraw/zinc/09/66/83/858096683.db2.gz HOWYYAANVYUMDN-JCYILVPMSA-N 2 1 353.463 0.336 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001256998540 858112333 /nfs/dbraw/zinc/11/23/33/858112333.db2.gz CYXAUFOKCVGOQO-UHFFFAOYSA-N 2 1 358.479 0.945 20 0 FCADMP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](CC4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001279625707 862986256 /nfs/dbraw/zinc/98/62/56/862986256.db2.gz HMPFQGWCPGSIFG-JKSUJKDBSA-N 2 1 367.519 0.457 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2CCN1CCOCC1 ZINC001279771492 863053820 /nfs/dbraw/zinc/05/38/20/863053820.db2.gz KMTGTFOWQRZYIM-MJGOQNOKSA-N 2 1 352.523 0.583 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001264650072 859414405 /nfs/dbraw/zinc/41/44/05/859414405.db2.gz DNKYSQQSHOPPHP-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264651384 859414957 /nfs/dbraw/zinc/41/49/57/859414957.db2.gz ASKUTFADSBNJBI-IXDOHACOSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264651384 859414963 /nfs/dbraw/zinc/41/49/63/859414963.db2.gz ASKUTFADSBNJBI-IXDOHACOSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264651384 859414971 /nfs/dbraw/zinc/41/49/71/859414971.db2.gz ASKUTFADSBNJBI-IXDOHACOSA-N 2 1 355.523 0.752 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001270332507 859719330 /nfs/dbraw/zinc/71/93/30/859719330.db2.gz KKMXNBDHCAGWEJ-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(F)C1=O ZINC001271140150 859904558 /nfs/dbraw/zinc/90/45/58/859904558.db2.gz OTBFLXBTMTZYQP-IAOVAPTHSA-N 2 1 358.433 0.133 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(F)C1=O ZINC001271140150 859904560 /nfs/dbraw/zinc/90/45/60/859904560.db2.gz OTBFLXBTMTZYQP-IAOVAPTHSA-N 2 1 358.433 0.133 20 0 FCADMP CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)CC1 ZINC001272090379 860086082 /nfs/dbraw/zinc/08/60/82/860086082.db2.gz GXMAHUZUBAYZRB-UHFFFAOYSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500597 860509808 /nfs/dbraw/zinc/50/98/08/860509808.db2.gz BVQIOOVWNYVKRO-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001274407374 860744213 /nfs/dbraw/zinc/74/42/13/860744213.db2.gz CHQLDYANJVQXBO-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001274407374 860744221 /nfs/dbraw/zinc/74/42/21/860744221.db2.gz CHQLDYANJVQXBO-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(CO)o1)C2 ZINC001275255056 861006737 /nfs/dbraw/zinc/00/67/37/861006737.db2.gz REPVYMHLEAKZPQ-SFHVURJKSA-N 2 1 351.447 0.384 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(CO)o1)C2 ZINC001275255056 861006751 /nfs/dbraw/zinc/00/67/51/861006751.db2.gz REPVYMHLEAKZPQ-SFHVURJKSA-N 2 1 351.447 0.384 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCCC3OCCO3)C2)C1=O ZINC001275292623 861018559 /nfs/dbraw/zinc/01/85/59/861018559.db2.gz DDPFIHQZBOKCSG-GOSISDBHSA-N 2 1 353.463 0.542 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2CC(C)(C)N2CCOCC2)C1=O ZINC001275515308 861119036 /nfs/dbraw/zinc/11/90/36/861119036.db2.gz KABSPMHKIYXUMS-LJQANCHMSA-N 2 1 352.523 0.726 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556131 861127930 /nfs/dbraw/zinc/12/79/30/861127930.db2.gz GVSWKTOAKQTHKP-LJQANCHMSA-N 2 1 350.507 0.920 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275736505 861180866 /nfs/dbraw/zinc/18/08/66/861180866.db2.gz FFRKEDYFDIVYJX-AFAVFJNCSA-N 2 1 359.417 0.370 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275736505 861180871 /nfs/dbraw/zinc/18/08/71/861180871.db2.gz FFRKEDYFDIVYJX-AFAVFJNCSA-N 2 1 359.417 0.370 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001275743825 861187872 /nfs/dbraw/zinc/18/78/72/861187872.db2.gz YNPXOXFGHRVXMD-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(C[NH+](C[C@H]4CCOC4)C3)O2)CC1 ZINC001279892381 863118506 /nfs/dbraw/zinc/11/85/06/863118506.db2.gz GPWHGWWLWMLSLP-WBVHZDCISA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(C[NH+](C[C@@H]4CCOC4)C3)O2)CC1 ZINC001279892379 863119069 /nfs/dbraw/zinc/11/90/69/863119069.db2.gz GPWHGWWLWMLSLP-RDJZCZTQSA-N 2 1 351.491 0.809 20 0 FCADMP CCC1(C[NH+]2CC3(C2)CC[C@H](C(=O)NC2CC[NH+](C)CC2)O3)COC1 ZINC001279906264 863128267 /nfs/dbraw/zinc/12/82/67/863128267.db2.gz WADZBEUUOITJIW-MRXNPFEDSA-N 2 1 351.491 0.857 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001279992876 863171151 /nfs/dbraw/zinc/17/11/51/863171151.db2.gz FZTZZSZQEDNMLI-GOSISDBHSA-N 2 1 369.579 0.879 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC001280026670 863198614 /nfs/dbraw/zinc/19/86/14/863198614.db2.gz BPLYSPXKQRMINS-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP COCCC[N@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280096576 863264030 /nfs/dbraw/zinc/26/40/30/863264030.db2.gz OWKVXUPTEDNSFC-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001282306970 864181143 /nfs/dbraw/zinc/18/11/43/864181143.db2.gz QCONFEFQSDMIQS-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001282306970 864181150 /nfs/dbraw/zinc/18/11/50/864181150.db2.gz QCONFEFQSDMIQS-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC001282306970 864181156 /nfs/dbraw/zinc/18/11/56/864181156.db2.gz QCONFEFQSDMIQS-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001288979954 864834839 /nfs/dbraw/zinc/83/48/39/864834839.db2.gz MLGQHVHSKXRWQO-LZLYRXPVSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCN1C ZINC001349466300 866348779 /nfs/dbraw/zinc/34/87/79/866348779.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001349466300 866348789 /nfs/dbraw/zinc/34/87/89/866348789.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1CN(C)CCN1C ZINC001349466300 866348837 /nfs/dbraw/zinc/34/88/37/866348837.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 1 355.527 0.109 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCN(C=O)CC3)CC2)CC1 ZINC001349787325 866442278 /nfs/dbraw/zinc/44/22/78/866442278.db2.gz XRRFOMPAOMSODE-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC001351377029 866844260 /nfs/dbraw/zinc/84/42/60/866844260.db2.gz YKUPYWHDOMJDAJ-TVFCKZIOSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1CO[C@@H](CO)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC001351377029 866844276 /nfs/dbraw/zinc/84/42/76/866844276.db2.gz YKUPYWHDOMJDAJ-TVFCKZIOSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1CO[C@@H](CO)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC001351377029 866844292 /nfs/dbraw/zinc/84/42/92/866844292.db2.gz YKUPYWHDOMJDAJ-TVFCKZIOSA-N 2 1 374.598 0.858 20 0 FCADMP C/C(=C/C(=O)NCC[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@H](C)C1 ZINC001351512860 866888221 /nfs/dbraw/zinc/88/82/21/866888221.db2.gz OVMAWEKUBZUEBZ-XDLJQUMRSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001351512860 866888238 /nfs/dbraw/zinc/88/82/38/866888238.db2.gz OVMAWEKUBZUEBZ-XDLJQUMRSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001351512860 866888247 /nfs/dbraw/zinc/88/82/47/866888247.db2.gz OVMAWEKUBZUEBZ-XDLJQUMRSA-N 2 1 350.507 0.849 20 0 FCADMP [NH3+]CC1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001353508304 867439526 /nfs/dbraw/zinc/43/95/26/867439526.db2.gz ZFRVUSBFOWNZOY-KRWDZBQOSA-N 2 1 353.511 0.163 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001353591281 867453488 /nfs/dbraw/zinc/45/34/88/867453488.db2.gz JDXUIZJMESJISP-KRWDZBQOSA-N 2 1 365.909 0.482 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001316759267 867460242 /nfs/dbraw/zinc/46/02/42/867460242.db2.gz SUENYTRFDCPYRW-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001316759267 867460246 /nfs/dbraw/zinc/46/02/46/867460246.db2.gz SUENYTRFDCPYRW-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001316759267 867460248 /nfs/dbraw/zinc/46/02/48/867460248.db2.gz SUENYTRFDCPYRW-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001353633506 867462494 /nfs/dbraw/zinc/46/24/94/867462494.db2.gz LFONKLHCHKAADY-RDJZCZTQSA-N 2 1 350.438 0.788 20 0 FCADMP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001356616921 868033031 /nfs/dbraw/zinc/03/30/31/868033031.db2.gz BDQKESWYVNLBJD-HKUYNNGSSA-N 2 1 350.459 0.604 20 0 FCADMP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001356616921 868033043 /nfs/dbraw/zinc/03/30/43/868033043.db2.gz BDQKESWYVNLBJD-HKUYNNGSSA-N 2 1 350.459 0.604 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC001357943666 868164930 /nfs/dbraw/zinc/16/49/30/868164930.db2.gz BTKIUCYJAQTTDP-ZDUSSCGKSA-N 2 1 360.252 0.891 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546639 868511238 /nfs/dbraw/zinc/51/12/38/868511238.db2.gz HNEVHHDLXSHDCI-PBHICJAKSA-N 2 1 354.520 0.237 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)cn2)CC1 ZINC001323457341 869201254 /nfs/dbraw/zinc/20/12/54/869201254.db2.gz ZSZQOVKBOWOWMM-AWEZNQCLSA-N 2 1 353.492 0.143 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001324168726 869494861 /nfs/dbraw/zinc/49/48/61/869494861.db2.gz IONDPKLMBJRMOG-CQSZACIVSA-N 2 1 350.463 0.674 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539296 870371760 /nfs/dbraw/zinc/37/17/60/870371760.db2.gz LYDLRBYLOKVGFB-MVJTYMMSSA-N 2 1 351.491 0.985 20 0 FCADMP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC001326819196 870513046 /nfs/dbraw/zinc/51/30/46/870513046.db2.gz KDAUEODXCLDVEH-RDJZCZTQSA-N 2 1 359.536 0.196 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC001344784723 871025980 /nfs/dbraw/zinc/02/59/80/871025980.db2.gz PPFUSMRWHSGJIS-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001327840431 871107467 /nfs/dbraw/zinc/10/74/67/871107467.db2.gz PHAZWUXNUZXFER-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C/C(=C\C(=O)NC[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001345921573 871562684 /nfs/dbraw/zinc/56/26/84/871562684.db2.gz PVFPEWCPYVSLRP-DAPLNWGVSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001345921573 871562692 /nfs/dbraw/zinc/56/26/92/871562692.db2.gz PVFPEWCPYVSLRP-DAPLNWGVSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001345921573 871562699 /nfs/dbraw/zinc/56/26/99/871562699.db2.gz PVFPEWCPYVSLRP-DAPLNWGVSA-N 2 1 350.507 0.849 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328846842 871662895 /nfs/dbraw/zinc/66/28/95/871662895.db2.gz VSSWOARTYBUQSC-KSZLIROESA-N 2 1 352.523 0.759 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001329036260 871788446 /nfs/dbraw/zinc/78/84/46/871788446.db2.gz LRJXLPZNRWOQFP-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425397 871834275 /nfs/dbraw/zinc/83/42/75/871834275.db2.gz GCVRIVRYYIJARB-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](O)[C@H](CO)C1)CC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329252042 871911666 /nfs/dbraw/zinc/91/16/66/871911666.db2.gz DOTHKWRXFNPURI-XLAORIBOSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001329252042 871911675 /nfs/dbraw/zinc/91/16/75/871911675.db2.gz DOTHKWRXFNPURI-XLAORIBOSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001329252042 871911683 /nfs/dbraw/zinc/91/16/83/871911683.db2.gz DOTHKWRXFNPURI-XLAORIBOSA-N 2 1 374.598 0.045 20 0 FCADMP COC1CC[NH+](CCNC(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001346584089 871917175 /nfs/dbraw/zinc/91/71/75/871917175.db2.gz JSSZJGKZIRNMPK-UHFFFAOYSA-N 2 1 355.527 0.472 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC001329491941 872064980 /nfs/dbraw/zinc/06/49/80/872064980.db2.gz YPKBTKKLVAKAMN-HOTGVXAUSA-N 2 1 357.520 0.391 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001329676333 872172336 /nfs/dbraw/zinc/17/23/36/872172336.db2.gz WYOJKRDYYPRBDS-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC1 ZINC001347182293 872204331 /nfs/dbraw/zinc/20/43/31/872204331.db2.gz DOJANKOVCGHWSY-WMZOPIPTSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001347182293 872204346 /nfs/dbraw/zinc/20/43/46/872204346.db2.gz DOJANKOVCGHWSY-WMZOPIPTSA-N 2 1 352.523 0.316 20 0 FCADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001347182293 872204357 /nfs/dbraw/zinc/20/43/57/872204357.db2.gz DOJANKOVCGHWSY-WMZOPIPTSA-N 2 1 352.523 0.316 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001330362156 872594552 /nfs/dbraw/zinc/59/45/52/872594552.db2.gz AQVQNJZAYSWVNZ-UHFFFAOYSA-N 2 1 366.531 0.952 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001348484419 872710361 /nfs/dbraw/zinc/71/03/61/872710361.db2.gz YDOZYTICNJNECN-SJORKVTESA-N 2 1 356.511 0.848 20 0 FCADMP CSC1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC001348584393 872732068 /nfs/dbraw/zinc/73/20/68/872732068.db2.gz CZEBZMACVKAITL-UHFFFAOYSA-N 2 1 370.563 0.825 20 0 FCADMP CSC1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC001348584393 872732078 /nfs/dbraw/zinc/73/20/78/872732078.db2.gz CZEBZMACVKAITL-UHFFFAOYSA-N 2 1 370.563 0.825 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001332511486 873538383 /nfs/dbraw/zinc/53/83/83/873538383.db2.gz QHBFSYQQWXMZBQ-CABCVRRESA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001332511486 873538392 /nfs/dbraw/zinc/53/83/92/873538392.db2.gz QHBFSYQQWXMZBQ-CABCVRRESA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001332511486 873538397 /nfs/dbraw/zinc/53/83/97/873538397.db2.gz QHBFSYQQWXMZBQ-CABCVRRESA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(CO)CCOCC3)CC2)CC1 ZINC001332889402 873701602 /nfs/dbraw/zinc/70/16/02/873701602.db2.gz NIXNFIWNJBCRAQ-UHFFFAOYSA-N 2 1 353.507 0.840 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCOC)C(N)=O)CC2)CC1 ZINC001332890746 873703272 /nfs/dbraw/zinc/70/32/72/873703272.db2.gz ZPYFPNUVCDCFRQ-INIZCTEOSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)CCC(F)(F)F ZINC001336628191 874014630 /nfs/dbraw/zinc/01/46/30/874014630.db2.gz PBJSLAMKXLBEBT-LBPRGKRZSA-N 2 1 352.401 0.574 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)CCC(F)(F)F ZINC001336628191 874014647 /nfs/dbraw/zinc/01/46/47/874014647.db2.gz PBJSLAMKXLBEBT-LBPRGKRZSA-N 2 1 352.401 0.574 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926239 948991532 /nfs/dbraw/zinc/99/15/32/948991532.db2.gz LOXIDNVLKZUCTL-STQMWFEESA-N 2 1 358.450 0.190 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708882 949502727 /nfs/dbraw/zinc/50/27/27/949502727.db2.gz XZGDTQORXZLCSS-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711269 949533092 /nfs/dbraw/zinc/53/30/92/949533092.db2.gz FOSQCFGYUNGDFZ-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711269 949533115 /nfs/dbraw/zinc/53/31/15/949533115.db2.gz FOSQCFGYUNGDFZ-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712701 949584328 /nfs/dbraw/zinc/58/43/28/949584328.db2.gz TUDWRLPIGYFRHR-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712701 949584341 /nfs/dbraw/zinc/58/43/41/949584341.db2.gz TUDWRLPIGYFRHR-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717478 949736440 /nfs/dbraw/zinc/73/64/40/949736440.db2.gz WCNVCQFDCHAPHK-OLZOCXBDSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205314 950505939 /nfs/dbraw/zinc/50/59/39/950505939.db2.gz XBUASUBLEQMPJU-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205314 950505952 /nfs/dbraw/zinc/50/59/52/950505952.db2.gz XBUASUBLEQMPJU-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205314 950505969 /nfs/dbraw/zinc/50/59/69/950505969.db2.gz XBUASUBLEQMPJU-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575099594 951837876 /nfs/dbraw/zinc/83/78/76/951837876.db2.gz NLNRGDOTBUCDOB-YPMHNXCESA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107045 951910744 /nfs/dbraw/zinc/91/07/44/951910744.db2.gz XXQCEQHLGYLUNM-CZUORRHYSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113961 951951331 /nfs/dbraw/zinc/95/13/31/951951331.db2.gz JELWIVYTQCTURW-BBRMVZONSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113961 951951339 /nfs/dbraw/zinc/95/13/39/951951339.db2.gz JELWIVYTQCTURW-BBRMVZONSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063157 951962154 /nfs/dbraw/zinc/96/21/54/951962154.db2.gz JIFGMQHNHYDTKJ-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571064096 951970664 /nfs/dbraw/zinc/97/06/64/951970664.db2.gz RRTTVKYALOGXLO-DTZQCDIJSA-N 2 1 369.473 0.944 20 0 FCADMP CC(C)(C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571076581 952112999 /nfs/dbraw/zinc/11/29/99/952112999.db2.gz SZSOORVIECKZIU-CYBMUJFWSA-N 2 1 370.461 0.831 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078156 952125910 /nfs/dbraw/zinc/12/59/10/952125910.db2.gz MNVCTSLMAJSFKE-CYBMUJFWSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078147 952126361 /nfs/dbraw/zinc/12/63/61/952126361.db2.gz MFRPGXLMCGKHQW-DVOMOZLQSA-N 2 1 370.461 0.393 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143830 952157776 /nfs/dbraw/zinc/15/77/76/952157776.db2.gz CWJBEUOWQMSHTK-CJNGLKHVSA-N 2 1 372.477 0.815 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291713350 214052562 /nfs/dbraw/zinc/05/25/62/214052562.db2.gz DFHGGFLNKJGYLI-UHFFFAOYSA-N 2 1 367.494 0.526 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000293151581 214151012 /nfs/dbraw/zinc/15/10/12/214151012.db2.gz HRXMHIHTAKUBDS-GOSISDBHSA-N 2 1 354.414 0.760 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn2ccnc12 ZINC000293794972 214201925 /nfs/dbraw/zinc/20/19/25/214201925.db2.gz UQPZGFVJGUSVCB-UHFFFAOYSA-N 2 1 372.473 0.723 20 0 FCADMP Cc1cc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn2cc[nH+]c12 ZINC000293794972 214201930 /nfs/dbraw/zinc/20/19/30/214201930.db2.gz UQPZGFVJGUSVCB-UHFFFAOYSA-N 2 1 372.473 0.723 20 0 FCADMP Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000295215741 214285380 /nfs/dbraw/zinc/28/53/80/214285380.db2.gz QMULGTBCHHQXJR-QAPCUYQASA-N 2 1 360.458 0.044 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000410437481 529696368 /nfs/dbraw/zinc/69/63/68/529696368.db2.gz SPFOFDVBZBOHKC-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1nccn1C[C@@H](C)CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000265728859 210208546 /nfs/dbraw/zinc/20/85/46/210208546.db2.gz JULNYVWUIDCCJS-DZGCQCFKSA-N 2 1 350.467 0.467 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000265728859 210208550 /nfs/dbraw/zinc/20/85/50/210208550.db2.gz JULNYVWUIDCCJS-DZGCQCFKSA-N 2 1 350.467 0.467 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779160 529886316 /nfs/dbraw/zinc/88/63/16/529886316.db2.gz HLIIRJUTHUIDPM-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410911179 529900824 /nfs/dbraw/zinc/90/08/24/529900824.db2.gz CHHOLOKTHBEGFV-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410464268 529931295 /nfs/dbraw/zinc/93/12/95/529931295.db2.gz CZTPFFXNUVSYEY-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410464268 529931296 /nfs/dbraw/zinc/93/12/96/529931296.db2.gz CZTPFFXNUVSYEY-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331380426 214986817 /nfs/dbraw/zinc/98/68/17/214986817.db2.gz GGBNVPKMUGCYPB-VVLHAWIVSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000265360011 210107315 /nfs/dbraw/zinc/10/73/15/210107315.db2.gz DPULEGGURDAOMJ-QGZVFWFLSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000265360011 210107319 /nfs/dbraw/zinc/10/73/19/210107319.db2.gz DPULEGGURDAOMJ-QGZVFWFLSA-N 2 1 360.506 0.939 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[NH+](C)C1 ZINC000331542484 215012844 /nfs/dbraw/zinc/01/28/44/215012844.db2.gz PQMMAIIQEOVVHA-LUKYLMHMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)[N@H+](C)C1 ZINC000331542484 215012847 /nfs/dbraw/zinc/01/28/47/215012847.db2.gz PQMMAIIQEOVVHA-LUKYLMHMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)[N@@H+](C)C1 ZINC000331542484 215012851 /nfs/dbraw/zinc/01/28/51/215012851.db2.gz PQMMAIIQEOVVHA-LUKYLMHMSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000331600755 215021594 /nfs/dbraw/zinc/02/15/94/215021594.db2.gz ZRZGRAOLSNWCAG-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000331640912 215027963 /nfs/dbraw/zinc/02/79/63/215027963.db2.gz UPRWTRRQZGCXHW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000331640912 215027965 /nfs/dbraw/zinc/02/79/65/215027965.db2.gz UPRWTRRQZGCXHW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331640912 215027967 /nfs/dbraw/zinc/02/79/67/215027967.db2.gz UPRWTRRQZGCXHW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331640912 215027968 /nfs/dbraw/zinc/02/79/68/215027968.db2.gz UPRWTRRQZGCXHW-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331684056 215033881 /nfs/dbraw/zinc/03/38/81/215033881.db2.gz SAQXMOKBENBOOF-XQLPTFJDSA-N 2 1 352.479 0.158 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691996 215035713 /nfs/dbraw/zinc/03/57/13/215035713.db2.gz VDWBQRSAUHCODY-RVKKMQEKSA-N 2 1 368.547 0.483 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000331809184 215049570 /nfs/dbraw/zinc/04/95/70/215049570.db2.gz NQDOCMDKTYNLLK-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265083696 210052776 /nfs/dbraw/zinc/05/27/76/210052776.db2.gz KQHNWDQQXKDADH-UHFFFAOYSA-N 2 1 360.418 0.290 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000331930340 215068981 /nfs/dbraw/zinc/06/89/81/215068981.db2.gz DTLOQDOANJHDFC-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000332050085 215084532 /nfs/dbraw/zinc/08/45/32/215084532.db2.gz LQPZMYCNVZPFHH-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000332420120 215149094 /nfs/dbraw/zinc/14/90/94/215149094.db2.gz BQCDNDVIOXUJEN-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000332420117 215149538 /nfs/dbraw/zinc/14/95/38/215149538.db2.gz BQCDNDVIOXUJEN-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000332456919 215154754 /nfs/dbraw/zinc/15/47/54/215154754.db2.gz NZGHSIILHQRUHM-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000332456919 215154756 /nfs/dbraw/zinc/15/47/56/215154756.db2.gz NZGHSIILHQRUHM-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H]1C ZINC000332629134 215193727 /nfs/dbraw/zinc/19/37/27/215193727.db2.gz DGRDSNAZEOONST-XYVMCAHJSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@H]1C ZINC000332629134 215193733 /nfs/dbraw/zinc/19/37/33/215193733.db2.gz DGRDSNAZEOONST-XYVMCAHJSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144750 215242836 /nfs/dbraw/zinc/24/28/36/215242836.db2.gz ZKNLGOYKEDLQJY-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144750 215242839 /nfs/dbraw/zinc/24/28/39/215242839.db2.gz ZKNLGOYKEDLQJY-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000333144750 215242843 /nfs/dbraw/zinc/24/28/43/215242843.db2.gz ZKNLGOYKEDLQJY-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1C ZINC000333204016 215249118 /nfs/dbraw/zinc/24/91/18/215249118.db2.gz BKVMIIYMEBZZAO-IRXDYDNUSA-N 2 1 361.490 0.879 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214698 215251942 /nfs/dbraw/zinc/25/19/42/215251942.db2.gz CGMQWCLJQRTPNJ-IPYPFGDCSA-N 2 1 353.467 0.489 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000333258288 215255313 /nfs/dbraw/zinc/25/53/13/215255313.db2.gz LRQGMGBJSUAKBV-PBHICJAKSA-N 2 1 358.552 0.910 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333396916 215275516 /nfs/dbraw/zinc/27/55/16/215275516.db2.gz PLWDAGBZBLLURK-KURKYZTESA-N 2 1 372.517 0.986 20 0 FCADMP C[N@H+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000333500662 215290480 /nfs/dbraw/zinc/29/04/80/215290480.db2.gz DIEVITUKHSDOPR-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000333500662 215290482 /nfs/dbraw/zinc/29/04/82/215290482.db2.gz DIEVITUKHSDOPR-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333508799 215290741 /nfs/dbraw/zinc/29/07/41/215290741.db2.gz ITOUYVKWONUCRD-HLLBOEOZSA-N 2 1 354.495 0.506 20 0 FCADMP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333526034 215292331 /nfs/dbraw/zinc/29/23/31/215292331.db2.gz HFYXORCTBYFVAP-QGZVFWFLSA-N 2 1 363.506 0.609 20 0 FCADMP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000333545185 215294038 /nfs/dbraw/zinc/29/40/38/215294038.db2.gz JROQQZLCCPRNJI-CVEARBPZSA-N 2 1 354.495 0.637 20 0 FCADMP C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C[NH+]1CCOCC1 ZINC000333496862 215289524 /nfs/dbraw/zinc/28/95/24/215289524.db2.gz CXJSJIDMAUTMDG-NXHRZFHOSA-N 2 1 368.522 0.883 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643540 215304353 /nfs/dbraw/zinc/30/43/53/215304353.db2.gz IRFZFDATXSGJMT-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333684430 215307824 /nfs/dbraw/zinc/30/78/24/215307824.db2.gz AFLNSBKOJZYNDY-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C2CC2)C1 ZINC000333690688 215308708 /nfs/dbraw/zinc/30/87/08/215308708.db2.gz BRRJSXMTWFGGKX-OAHLLOKOSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+](C2CC2)C1 ZINC000333690688 215308709 /nfs/dbraw/zinc/30/87/09/215308709.db2.gz BRRJSXMTWFGGKX-OAHLLOKOSA-N 2 1 351.495 0.276 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000333686003 215308825 /nfs/dbraw/zinc/30/88/25/215308825.db2.gz PGMYPCRIQYIAAV-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333736716 215314804 /nfs/dbraw/zinc/31/48/04/215314804.db2.gz QPTMPZXCGCIOGG-DLBZAZTESA-N 2 1 354.495 0.386 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333715974 215311788 /nfs/dbraw/zinc/31/17/88/215311788.db2.gz NBWIZGZKZXKOLG-ZWKOTPCHSA-N 2 1 368.522 0.776 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000333728589 215314297 /nfs/dbraw/zinc/31/42/97/215314297.db2.gz HMCHRNUYTMMRPV-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000333736719 215315370 /nfs/dbraw/zinc/31/53/70/215315370.db2.gz QPTMPZXCGCIOGG-IRXDYDNUSA-N 2 1 354.495 0.386 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000333808886 215320839 /nfs/dbraw/zinc/32/08/39/215320839.db2.gz IXAYEAAUPBGFOX-UHFFFAOYSA-N 2 1 365.522 0.844 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333816034 215320861 /nfs/dbraw/zinc/32/08/61/215320861.db2.gz KCWDHMUHJBPMFR-JZXOWHBKSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852287 215324907 /nfs/dbraw/zinc/32/49/07/215324907.db2.gz QFXNNXZKYKCQCE-KURKYZTESA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C(=O)N1CCCCC1 ZINC000333874438 215327695 /nfs/dbraw/zinc/32/76/95/215327695.db2.gz SOICIPSCGWMJKA-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333891376 215328578 /nfs/dbraw/zinc/32/85/78/215328578.db2.gz YUXLCJRGPSNLHK-FGTMMUONSA-N 2 1 372.517 0.938 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333891376 215328583 /nfs/dbraw/zinc/32/85/83/215328583.db2.gz YUXLCJRGPSNLHK-FGTMMUONSA-N 2 1 372.517 0.938 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333894695 215328837 /nfs/dbraw/zinc/32/88/37/215328837.db2.gz HQMOHJGSHHKCCK-IAGOWNOFSA-N 2 1 353.511 0.032 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000333929089 215332404 /nfs/dbraw/zinc/33/24/04/215332404.db2.gz XZRNSVWLGFPZRA-MRXNPFEDSA-N 2 1 354.495 0.781 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333945494 215333270 /nfs/dbraw/zinc/33/32/70/215333270.db2.gz SXLRMVJYKSYUTM-OAGGEKHMSA-N 2 1 351.495 0.370 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334069551 215340678 /nfs/dbraw/zinc/34/06/78/215340678.db2.gz GFHGXZIQUDGLKC-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000334069551 215340682 /nfs/dbraw/zinc/34/06/82/215340682.db2.gz GFHGXZIQUDGLKC-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)C2 ZINC000334092658 215343839 /nfs/dbraw/zinc/34/38/39/215343839.db2.gz OTORRQQBZXKFFF-NPYXIHBLSA-N 2 1 363.506 0.560 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334092658 215343842 /nfs/dbraw/zinc/34/38/42/215343842.db2.gz OTORRQQBZXKFFF-NPYXIHBLSA-N 2 1 363.506 0.560 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334092658 215343845 /nfs/dbraw/zinc/34/38/45/215343845.db2.gz OTORRQQBZXKFFF-NPYXIHBLSA-N 2 1 363.506 0.560 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360573847 215365793 /nfs/dbraw/zinc/36/57/93/215365793.db2.gz ULJQZWRYNDXJFS-GJZGRUSLSA-N 2 1 353.467 0.584 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000423373645 535210180 /nfs/dbraw/zinc/21/01/80/535210180.db2.gz HMYQPCYEEDSLIW-CEXWTWQISA-N 2 1 372.513 0.986 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000423373645 535210184 /nfs/dbraw/zinc/21/01/84/535210184.db2.gz HMYQPCYEEDSLIW-CEXWTWQISA-N 2 1 372.513 0.986 20 0 FCADMP C[N@@H+](CCCS(N)(=O)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285248452 213310491 /nfs/dbraw/zinc/31/04/91/213310491.db2.gz AKHSUKOLDRBSII-UHFFFAOYSA-N 2 1 354.520 0.415 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000285213968 213303372 /nfs/dbraw/zinc/30/33/72/213303372.db2.gz WGJAPURSPFRMQQ-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000285213968 213303374 /nfs/dbraw/zinc/30/33/74/213303374.db2.gz WGJAPURSPFRMQQ-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000285213968 213303375 /nfs/dbraw/zinc/30/33/75/213303375.db2.gz WGJAPURSPFRMQQ-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000285133332 213289023 /nfs/dbraw/zinc/28/90/23/213289023.db2.gz WUMMUGLPAWNLQE-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000285133332 213289027 /nfs/dbraw/zinc/28/90/27/213289027.db2.gz WUMMUGLPAWNLQE-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000284864758 213237506 /nfs/dbraw/zinc/23/75/06/213237506.db2.gz BETGHLRSAJCHJE-ZDUSSCGKSA-N 2 1 358.446 0.648 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000284727294 213206896 /nfs/dbraw/zinc/20/68/96/213206896.db2.gz GWPXFIIHFCXBSS-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284552689 213166717 /nfs/dbraw/zinc/16/67/17/213166717.db2.gz MCFUAVMOQHVNEP-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284552689 213166722 /nfs/dbraw/zinc/16/67/22/213166722.db2.gz MCFUAVMOQHVNEP-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284552689 213166724 /nfs/dbraw/zinc/16/67/24/213166724.db2.gz MCFUAVMOQHVNEP-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284552689 213166727 /nfs/dbraw/zinc/16/67/27/213166727.db2.gz MCFUAVMOQHVNEP-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000284493961 213154081 /nfs/dbraw/zinc/15/40/81/213154081.db2.gz PKPXGVPQUGODOR-UHFFFAOYSA-N 2 1 373.457 0.565 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000284485133 213152310 /nfs/dbraw/zinc/15/23/10/213152310.db2.gz HORWYZAZCAGXGI-INIZCTEOSA-N 2 1 370.497 0.928 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000284485133 213152313 /nfs/dbraw/zinc/15/23/13/213152313.db2.gz HORWYZAZCAGXGI-INIZCTEOSA-N 2 1 370.497 0.928 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000284485133 213152315 /nfs/dbraw/zinc/15/23/15/213152315.db2.gz HORWYZAZCAGXGI-INIZCTEOSA-N 2 1 370.497 0.928 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000284485133 213152318 /nfs/dbraw/zinc/15/23/18/213152318.db2.gz HORWYZAZCAGXGI-INIZCTEOSA-N 2 1 370.497 0.928 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000283998336 213052828 /nfs/dbraw/zinc/05/28/28/213052828.db2.gz IIKCFIYTNACCIJ-CXAGYDPISA-N 2 1 368.503 0.552 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000283849011 213019274 /nfs/dbraw/zinc/01/92/74/213019274.db2.gz FRSFOCJAAOSIRM-DLBZAZTESA-N 2 1 362.474 0.242 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283858301 213021482 /nfs/dbraw/zinc/02/14/82/213021482.db2.gz BFJFJCTUJFIFCC-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283858301 213021485 /nfs/dbraw/zinc/02/14/85/213021485.db2.gz BFJFJCTUJFIFCC-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283858301 213021487 /nfs/dbraw/zinc/02/14/87/213021487.db2.gz BFJFJCTUJFIFCC-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283858301 213021489 /nfs/dbraw/zinc/02/14/89/213021489.db2.gz BFJFJCTUJFIFCC-KRWDZBQOSA-N 2 1 372.513 0.961 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000413045887 237267851 /nfs/dbraw/zinc/26/78/51/237267851.db2.gz OWBKDVFUAUJVCP-UHFFFAOYSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367195231 216089951 /nfs/dbraw/zinc/08/99/51/216089951.db2.gz HUOVYOKJKQCTMD-DLBZAZTESA-N 2 1 355.527 0.232 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168210 216085481 /nfs/dbraw/zinc/08/54/81/216085481.db2.gz OHUDMUHXLIFTRL-UYAOXDASSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000367168210 216085484 /nfs/dbraw/zinc/08/54/84/216085484.db2.gz OHUDMUHXLIFTRL-UYAOXDASSA-N 2 1 371.529 0.703 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)CC1=O ZINC000246595638 209392408 /nfs/dbraw/zinc/39/24/08/209392408.db2.gz FYTGTZPSCUDIES-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000246595638 209392410 /nfs/dbraw/zinc/39/24/10/209392410.db2.gz FYTGTZPSCUDIES-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000246595638 209392413 /nfs/dbraw/zinc/39/24/13/209392413.db2.gz FYTGTZPSCUDIES-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000245912086 209375860 /nfs/dbraw/zinc/37/58/60/209375860.db2.gz RJPKYIJSOJVRDG-ZWKOTPCHSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245912086 209375863 /nfs/dbraw/zinc/37/58/63/209375863.db2.gz RJPKYIJSOJVRDG-ZWKOTPCHSA-N 2 1 364.490 0.499 20 0 FCADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245912086 209375866 /nfs/dbraw/zinc/37/58/66/209375866.db2.gz RJPKYIJSOJVRDG-ZWKOTPCHSA-N 2 1 364.490 0.499 20 0 FCADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000237627802 209355378 /nfs/dbraw/zinc/35/53/78/209355378.db2.gz DSDMCNJQJQFOEY-IRXDYDNUSA-N 2 1 360.502 0.931 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368576526 216265812 /nfs/dbraw/zinc/26/58/12/216265812.db2.gz JOWQMZMHMLKCRF-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000368576526 216265814 /nfs/dbraw/zinc/26/58/14/216265814.db2.gz JOWQMZMHMLKCRF-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000368576526 216265816 /nfs/dbraw/zinc/26/58/16/216265816.db2.gz JOWQMZMHMLKCRF-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027358 216334997 /nfs/dbraw/zinc/33/49/97/216334997.db2.gz LQLAJICQPSUTOJ-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027358 216335001 /nfs/dbraw/zinc/33/50/01/216335001.db2.gz LQLAJICQPSUTOJ-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027358 216335003 /nfs/dbraw/zinc/33/50/03/216335003.db2.gz LQLAJICQPSUTOJ-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048125 216340126 /nfs/dbraw/zinc/34/01/26/216340126.db2.gz SJSDQJMKIVYZHP-KURKYZTESA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048125 216340130 /nfs/dbraw/zinc/34/01/30/216340130.db2.gz SJSDQJMKIVYZHP-KURKYZTESA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048125 216340132 /nfs/dbraw/zinc/34/01/32/216340132.db2.gz SJSDQJMKIVYZHP-KURKYZTESA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000369390640 216395287 /nfs/dbraw/zinc/39/52/87/216395287.db2.gz CIVVOWOEHWXTTD-KURKYZTESA-N 2 1 352.523 0.770 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000369390640 216395291 /nfs/dbraw/zinc/39/52/91/216395291.db2.gz CIVVOWOEHWXTTD-KURKYZTESA-N 2 1 352.523 0.770 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[N@H+]1CCCOCC1 ZINC000189459123 209252913 /nfs/dbraw/zinc/25/29/13/209252913.db2.gz TVUSISPUZMYYBE-UHFFFAOYSA-N 2 1 361.490 0.432 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000188945330 209242610 /nfs/dbraw/zinc/24/26/10/209242610.db2.gz OSYLIRRXZMFLOJ-SJORKVTESA-N 2 1 369.554 0.357 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188586019 209234070 /nfs/dbraw/zinc/23/40/70/209234070.db2.gz IPSHJWZAPILTBE-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN1CCOCC1(C)C ZINC000188504835 209231819 /nfs/dbraw/zinc/23/18/19/209231819.db2.gz LKNIZHZGRBEFJD-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP C[N@@H+](CCC(=O)N1CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188289614 209228068 /nfs/dbraw/zinc/22/80/68/209228068.db2.gz DFQSKLSYRUHTPO-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP C[N@H+](CCC(=O)N1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188289614 209228070 /nfs/dbraw/zinc/22/80/70/209228070.db2.gz DFQSKLSYRUHTPO-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP C[NH+](CCC(=O)N1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188289614 209228078 /nfs/dbraw/zinc/22/80/78/209228078.db2.gz DFQSKLSYRUHTPO-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP Cn1ccnc1-c1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000188155818 209223745 /nfs/dbraw/zinc/22/37/45/209223745.db2.gz BVXUPBHWWFBDIH-UHFFFAOYSA-N 2 1 371.441 0.864 20 0 FCADMP C[C@@H](O)C[N@@H+](Cc1ccc(C[NH+](C[C@H](C)O)[C@H](C)CO)cc1)[C@H](C)CO ZINC000276222844 212189442 /nfs/dbraw/zinc/18/94/42/212189442.db2.gz QRNDIYLINCRVKJ-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[C@@H](O)C[NH+](Cc1ccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1)[C@H](C)CO ZINC000276222844 212189445 /nfs/dbraw/zinc/18/94/45/212189445.db2.gz QRNDIYLINCRVKJ-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[C@@H](O)C[NH+](Cc1ccc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1)[C@H](C)CO ZINC000276222844 212189447 /nfs/dbraw/zinc/18/94/47/212189447.db2.gz QRNDIYLINCRVKJ-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548752 212048900 /nfs/dbraw/zinc/04/89/00/212048900.db2.gz DZDSCGYYSSVGAN-OALUTQOASA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275548752 212048903 /nfs/dbraw/zinc/04/89/03/212048903.db2.gz DZDSCGYYSSVGAN-OALUTQOASA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275548752 212048906 /nfs/dbraw/zinc/04/89/06/212048906.db2.gz DZDSCGYYSSVGAN-OALUTQOASA-N 2 1 374.533 0.791 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000931485952 674117239 /nfs/dbraw/zinc/11/72/39/674117239.db2.gz UJESDRYVYJXQIQ-UHFFFAOYSA-N 2 1 355.479 0.177 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000414675953 245310760 /nfs/dbraw/zinc/31/07/60/245310760.db2.gz MPXKGUALUDKODB-HNNXBMFYSA-N 2 1 362.449 0.781 20 0 FCADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000414810901 245324341 /nfs/dbraw/zinc/32/43/41/245324341.db2.gz YELFHSVCOURNFU-UHFFFAOYSA-N 2 1 351.447 0.760 20 0 FCADMP C[NH2+]CCC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000414859104 245326628 /nfs/dbraw/zinc/32/66/28/245326628.db2.gz MCMKLPKGPKBAEX-UHFFFAOYSA-N 2 1 351.447 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000415077143 245345529 /nfs/dbraw/zinc/34/55/29/245345529.db2.gz DXKJWWIYMPLFOC-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000415077143 245345534 /nfs/dbraw/zinc/34/55/34/245345534.db2.gz DXKJWWIYMPLFOC-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000415327911 245387356 /nfs/dbraw/zinc/38/73/56/245387356.db2.gz XLYGXIADLPBCOH-UHFFFAOYSA-N 2 1 360.458 0.322 20 0 FCADMP CCOC(=O)[C@]1(COC)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374514237 217138594 /nfs/dbraw/zinc/13/85/94/217138594.db2.gz NOJOOASVBFFOTP-GOSISDBHSA-N 2 1 355.479 0.442 20 0 FCADMP CCOC(=O)[C@]1(COC)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374514237 217138597 /nfs/dbraw/zinc/13/85/97/217138597.db2.gz NOJOOASVBFFOTP-GOSISDBHSA-N 2 1 355.479 0.442 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374873720 217184551 /nfs/dbraw/zinc/18/45/51/217184551.db2.gz DXOZRRREGYQTFC-INIZCTEOSA-N 2 1 359.474 0.896 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374873720 217184554 /nfs/dbraw/zinc/18/45/54/217184554.db2.gz DXOZRRREGYQTFC-INIZCTEOSA-N 2 1 359.474 0.896 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000182969487 209138574 /nfs/dbraw/zinc/13/85/74/209138574.db2.gz RIJMXVNWLSFPJZ-MRXNPFEDSA-N 2 1 374.485 0.213 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182355378 209130920 /nfs/dbraw/zinc/13/09/20/209130920.db2.gz AMJLOOYSOJDQQI-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182355378 209130922 /nfs/dbraw/zinc/13/09/22/209130922.db2.gz AMJLOOYSOJDQQI-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000416941739 245655238 /nfs/dbraw/zinc/65/52/38/245655238.db2.gz CHZUYBMZTJRVLZ-HZPDHXFCSA-N 2 1 361.494 0.428 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417580668 245709960 /nfs/dbraw/zinc/70/99/60/245709960.db2.gz RIQCBPBFSDFJPI-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419130467 246005631 /nfs/dbraw/zinc/00/56/31/246005631.db2.gz BDNHJHXAOQCTSS-CQSZACIVSA-N 2 1 352.504 0.802 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCN(C)CC1 ZINC000419128611 246003092 /nfs/dbraw/zinc/00/30/92/246003092.db2.gz WPNJJHPKJSDMOG-MRXNPFEDSA-N 2 1 367.538 0.152 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419153376 246019919 /nfs/dbraw/zinc/01/99/19/246019919.db2.gz PQXKIFJUUWCQBL-CABCVRRESA-N 2 1 364.515 0.945 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419166620 246030307 /nfs/dbraw/zinc/03/03/07/246030307.db2.gz HQXCFMJPPFKQAE-MSOLQXFVSA-N 2 1 358.486 0.535 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)CCC(F)(F)F ZINC000419216225 246059758 /nfs/dbraw/zinc/05/97/58/246059758.db2.gz ZYFYBOXFWDCYIB-NEPJUHHUSA-N 2 1 350.385 0.197 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)CCC(F)(F)F ZINC000419216225 246059762 /nfs/dbraw/zinc/05/97/62/246059762.db2.gz ZYFYBOXFWDCYIB-NEPJUHHUSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223475 246063202 /nfs/dbraw/zinc/06/32/02/246063202.db2.gz DAMBXHVHIMUISW-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419224942 246063495 /nfs/dbraw/zinc/06/34/95/246063495.db2.gz GFMKPSSWBWHXKG-QGZVFWFLSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000419226287 246064043 /nfs/dbraw/zinc/06/40/43/246064043.db2.gz DJCRXGSTDJNZCA-LESCRADOSA-N 2 1 356.470 0.370 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000419226287 246064048 /nfs/dbraw/zinc/06/40/48/246064048.db2.gz DJCRXGSTDJNZCA-LESCRADOSA-N 2 1 356.470 0.370 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229636 246067400 /nfs/dbraw/zinc/06/74/00/246067400.db2.gz PBMDQZBLCDRWJR-RDJZCZTQSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419227345 246065358 /nfs/dbraw/zinc/06/53/58/246065358.db2.gz FRKVCPMMCQNZMW-OWCLPIDISA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419227345 246065361 /nfs/dbraw/zinc/06/53/61/246065361.db2.gz FRKVCPMMCQNZMW-OWCLPIDISA-N 2 1 358.486 0.758 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205945 246053557 /nfs/dbraw/zinc/05/35/57/246053557.db2.gz JXLVNHYPEXIWIG-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419207359 246054933 /nfs/dbraw/zinc/05/49/33/246054933.db2.gz MKIOYEJGNIEQEN-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000419227841 246067817 /nfs/dbraw/zinc/06/78/17/246067817.db2.gz LJNWLKGWHZBZKU-IXDOHACOSA-N 2 1 366.506 0.332 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]21 ZINC000419228625 246068415 /nfs/dbraw/zinc/06/84/15/246068415.db2.gz MOHKARMAIDUCAQ-XMTFNYHQSA-N 2 1 362.518 0.953 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419229502 246068587 /nfs/dbraw/zinc/06/85/87/246068587.db2.gz HOPZOKXAJMXGTJ-QWHCGFSZSA-N 2 1 352.504 0.583 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419229502 246068593 /nfs/dbraw/zinc/06/85/93/246068593.db2.gz HOPZOKXAJMXGTJ-QWHCGFSZSA-N 2 1 352.504 0.583 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000419235891 246071091 /nfs/dbraw/zinc/07/10/91/246071091.db2.gz ZPSYRZDDMUCYCI-JOCBIADPSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419235541 246071451 /nfs/dbraw/zinc/07/14/51/246071451.db2.gz NEBKIKSZHKRXRZ-CRAIPNDOSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419235541 246071455 /nfs/dbraw/zinc/07/14/55/246071455.db2.gz NEBKIKSZHKRXRZ-CRAIPNDOSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419233349 246071778 /nfs/dbraw/zinc/07/17/78/246071778.db2.gz LJMPKEBQOKIIFO-VNHYZAJKSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419233349 246071782 /nfs/dbraw/zinc/07/17/82/246071782.db2.gz LJMPKEBQOKIIFO-VNHYZAJKSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419238456 246075041 /nfs/dbraw/zinc/07/50/41/246075041.db2.gz POUJCKQXTHOPKW-KBPBESRZSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419238456 246075046 /nfs/dbraw/zinc/07/50/46/246075046.db2.gz POUJCKQXTHOPKW-KBPBESRZSA-N 2 1 364.515 0.727 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419331145 246101652 /nfs/dbraw/zinc/10/16/52/246101652.db2.gz CMBXKUMKBMTADY-NVXWUHKLSA-N 2 1 374.485 0.898 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419366017 246120610 /nfs/dbraw/zinc/12/06/10/246120610.db2.gz YFMQCNBBLUBNOL-SFHVURJKSA-N 2 1 372.469 0.650 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419387492 246127262 /nfs/dbraw/zinc/12/72/62/246127262.db2.gz FNCXVCMKQLAOSW-MRXNPFEDSA-N 2 1 358.486 0.667 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419387492 246127266 /nfs/dbraw/zinc/12/72/66/246127266.db2.gz FNCXVCMKQLAOSW-MRXNPFEDSA-N 2 1 358.486 0.667 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419389398 246130603 /nfs/dbraw/zinc/13/06/03/246130603.db2.gz HHLNMQOCDXCHLL-RDJZCZTQSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419389398 246130610 /nfs/dbraw/zinc/13/06/10/246130610.db2.gz HHLNMQOCDXCHLL-RDJZCZTQSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419391735 246130285 /nfs/dbraw/zinc/13/02/85/246130285.db2.gz KFYLSPNXNMYRBB-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000419414724 246150797 /nfs/dbraw/zinc/15/07/97/246150797.db2.gz UJKQEXMOOQZOJM-OAHLLOKOSA-N 2 1 352.504 0.925 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419412378 246147000 /nfs/dbraw/zinc/14/70/00/246147000.db2.gz RCKSTUVHEKXMGC-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000419413611 246147586 /nfs/dbraw/zinc/14/75/86/246147586.db2.gz SFXJAEQXVUIZEE-JTDSTZFVSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000419417305 246149643 /nfs/dbraw/zinc/14/96/43/246149643.db2.gz XGPQVZKUPIKZDU-IACUBPJLSA-N 2 1 368.503 0.696 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000419416038 246150159 /nfs/dbraw/zinc/15/01/59/246150159.db2.gz VRUNYJLFWLNGDE-KFWWJZLASA-N 2 1 368.503 0.432 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419399045 246135858 /nfs/dbraw/zinc/13/58/58/246135858.db2.gz YIRJXXIGPKXJIV-FQEVSTJZSA-N 2 1 356.470 0.373 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419399045 246135862 /nfs/dbraw/zinc/13/58/62/246135862.db2.gz YIRJXXIGPKXJIV-FQEVSTJZSA-N 2 1 356.470 0.373 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000419404281 246137478 /nfs/dbraw/zinc/13/74/78/246137478.db2.gz FRZLLEBPXRJNTO-HOTGVXAUSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419407141 246139219 /nfs/dbraw/zinc/13/92/19/246139219.db2.gz KCQJMHFYZZWEGU-YJBOKZPZSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404540 246139354 /nfs/dbraw/zinc/13/93/54/246139354.db2.gz TXRJKYYWXLIKRN-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404532 246140253 /nfs/dbraw/zinc/14/02/53/246140253.db2.gz TXRJKYYWXLIKRN-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419409265 246140513 /nfs/dbraw/zinc/14/05/13/246140513.db2.gz MVPIKPUQUKMTEW-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407753 246140819 /nfs/dbraw/zinc/14/08/19/246140819.db2.gz YZXUMPSJEDBKGU-JZXOWHBKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419408201 246141672 /nfs/dbraw/zinc/14/16/72/246141672.db2.gz ZZCKQEMKINNVDX-HOCLYGCPSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419408201 246141675 /nfs/dbraw/zinc/14/16/75/246141675.db2.gz ZZCKQEMKINNVDX-HOCLYGCPSA-N 2 1 364.515 0.574 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000419411063 246145154 /nfs/dbraw/zinc/14/51/54/246145154.db2.gz PVLLPVJQYUPZDJ-DZGCQCFKSA-N 2 1 352.504 0.925 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409921 246145727 /nfs/dbraw/zinc/14/57/27/246145727.db2.gz FUQTXVYXILIORA-SJORKVTESA-N 2 1 362.474 0.118 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409921 246145732 /nfs/dbraw/zinc/14/57/32/246145732.db2.gz FUQTXVYXILIORA-SJORKVTESA-N 2 1 362.474 0.118 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000419421140 246155454 /nfs/dbraw/zinc/15/54/54/246155454.db2.gz LGUWKFIZEUCPGR-HOTGVXAUSA-N 2 1 358.486 0.760 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419420694 246155632 /nfs/dbraw/zinc/15/56/32/246155632.db2.gz KFUOQYQVRUDNFK-MAUKXSAKSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419447544 246167213 /nfs/dbraw/zinc/16/72/13/246167213.db2.gz HNFXXJHBLRYSHU-MAUKXSAKSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419448925 246168244 /nfs/dbraw/zinc/16/82/44/246168244.db2.gz JHYQAUHDDCUMNR-DLBZAZTESA-N 2 1 373.501 0.121 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419454390 246170491 /nfs/dbraw/zinc/17/04/91/246170491.db2.gz TVWXZNRVSVVXRU-MRXNPFEDSA-N 2 1 373.501 0.311 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419503810 246183308 /nfs/dbraw/zinc/18/33/08/246183308.db2.gz FHQJPQQFJFFNEW-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419504357 246184457 /nfs/dbraw/zinc/18/44/57/246184457.db2.gz GOUJCESMACYHKQ-KURKYZTESA-N 2 1 356.470 0.445 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510772 246185194 /nfs/dbraw/zinc/18/51/94/246185194.db2.gz UNUJOIWHNUDIAQ-HOTGVXAUSA-N 2 1 361.490 0.119 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419506752 246186562 /nfs/dbraw/zinc/18/65/62/246186562.db2.gz NFWDDOBKPNRRIW-OTWHNJEPSA-N 2 1 370.497 0.978 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000419516825 246188736 /nfs/dbraw/zinc/18/87/36/246188736.db2.gz VDIGEZQLULVPHR-OWCLPIDISA-N 2 1 360.458 0.519 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419523781 246190643 /nfs/dbraw/zinc/19/06/43/246190643.db2.gz BFBFLVSGLOWCGY-LMSBXDPUSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419524241 246190894 /nfs/dbraw/zinc/19/08/94/246190894.db2.gz BSUKUGCHQMPFQV-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419525115 246192746 /nfs/dbraw/zinc/19/27/46/246192746.db2.gz CVTDEAFUZJUXAK-CYGHRXIMSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419455984 246171871 /nfs/dbraw/zinc/17/18/71/246171871.db2.gz YNPWDFFZWYJUOR-JFIYKMOQSA-N 2 1 373.501 0.119 20 0 FCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419476919 246176095 /nfs/dbraw/zinc/17/60/95/246176095.db2.gz QNQUUHDNZAPUAC-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419475547 246176614 /nfs/dbraw/zinc/17/66/14/246176614.db2.gz FAPAYYIOSXCPCD-ZACQAIPSSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419535431 246194878 /nfs/dbraw/zinc/19/48/78/246194878.db2.gz RYHLJDFGCPZNAJ-SYNHAJSKSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534744 246195657 /nfs/dbraw/zinc/19/56/57/246195657.db2.gz QQCRWQVYDLKEDC-DOTOQJQBSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419536876 246196156 /nfs/dbraw/zinc/19/61/56/246196156.db2.gz VAKBGFUFHBHHMP-IDCNUPLLSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC[N@H+]1C ZINC000419539312 246196756 /nfs/dbraw/zinc/19/67/56/246196756.db2.gz AXWACODMZPKKON-MWQQHZPXSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655128 246232539 /nfs/dbraw/zinc/23/25/39/246232539.db2.gz HFQZYCGBAAQWJK-KBAYOESNSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000419654518 246230617 /nfs/dbraw/zinc/23/06/17/246230617.db2.gz GRAIMEJUHMLXJK-HIFRSBDPSA-N 2 1 368.428 0.866 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000419654518 246230621 /nfs/dbraw/zinc/23/06/21/246230621.db2.gz GRAIMEJUHMLXJK-HIFRSBDPSA-N 2 1 368.428 0.866 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419670125 246240103 /nfs/dbraw/zinc/24/01/03/246240103.db2.gz FRFBMMFHVQLSAW-OWCLPIDISA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419704070 246259323 /nfs/dbraw/zinc/25/93/23/246259323.db2.gz FTTUYOJKVUHAKO-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419703335 246259753 /nfs/dbraw/zinc/25/97/53/246259753.db2.gz DHEPOEIPNFXXCA-ATLSCFEFSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000419703291 246259819 /nfs/dbraw/zinc/25/98/19/246259819.db2.gz DEBFMKGQMQUZAX-BGTYHANMSA-N 2 1 356.470 0.586 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419710879 246263066 /nfs/dbraw/zinc/26/30/66/246263066.db2.gz RFEFTKAGPJOMPJ-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000419717983 246267732 /nfs/dbraw/zinc/26/77/32/246267732.db2.gz ACWSEFNPTYLZRH-BZUAXINKSA-N 2 1 352.479 0.084 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419755864 246285656 /nfs/dbraw/zinc/28/56/56/246285656.db2.gz FNARFYRWODLRHW-GDBMZVCRSA-N 2 1 364.465 0.878 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000419801058 246299195 /nfs/dbraw/zinc/29/91/95/246299195.db2.gz JFARVUACTMTOSF-AWEZNQCLSA-N 2 1 354.495 0.068 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000419801058 246299202 /nfs/dbraw/zinc/29/92/02/246299202.db2.gz JFARVUACTMTOSF-AWEZNQCLSA-N 2 1 354.495 0.068 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419723066 246270791 /nfs/dbraw/zinc/27/07/91/246270791.db2.gz NIGZNRJBEULDSE-GFCCVEGCSA-N 2 1 368.428 0.851 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419845921 246317795 /nfs/dbraw/zinc/31/77/95/246317795.db2.gz QTJXBBNORWQXIP-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419845921 246317798 /nfs/dbraw/zinc/31/77/98/246317798.db2.gz QTJXBBNORWQXIP-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC1 ZINC000419857730 246327119 /nfs/dbraw/zinc/32/71/19/246327119.db2.gz GWYJZJWIAZMOKC-OAHLLOKOSA-N 2 1 350.488 0.288 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861141 246330779 /nfs/dbraw/zinc/33/07/79/246330779.db2.gz DQJUNGWLCKQNKM-MRXNPFEDSA-N 2 1 367.538 0.025 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419869921 246337990 /nfs/dbraw/zinc/33/79/90/246337990.db2.gz DCRVZPZQIDSZQJ-INIZCTEOSA-N 2 1 360.458 0.208 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419869921 246337995 /nfs/dbraw/zinc/33/79/95/246337995.db2.gz DCRVZPZQIDSZQJ-INIZCTEOSA-N 2 1 360.458 0.208 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923239 246370901 /nfs/dbraw/zinc/37/09/01/246370901.db2.gz GHDSKTZZVZVMEI-MAUKXSAKSA-N 2 1 374.485 0.514 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419884251 246349756 /nfs/dbraw/zinc/34/97/56/246349756.db2.gz FUFCAELUPWBQJY-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419889297 246352042 /nfs/dbraw/zinc/35/20/42/246352042.db2.gz SAJFCZSHKBYDLG-NQIIRXRSSA-N 2 1 370.497 0.979 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419890752 246353892 /nfs/dbraw/zinc/35/38/92/246353892.db2.gz MZWWZPODHHPWIP-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419890752 246353900 /nfs/dbraw/zinc/35/39/00/246353900.db2.gz MZWWZPODHHPWIP-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419891948 246354596 /nfs/dbraw/zinc/35/45/96/246354596.db2.gz UMWRDULORCUKPT-QRVBRYPASA-N 2 1 370.497 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419897694 246358550 /nfs/dbraw/zinc/35/85/50/246358550.db2.gz VYEZCGAXXCXVCN-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419897694 246358555 /nfs/dbraw/zinc/35/85/55/246358555.db2.gz VYEZCGAXXCXVCN-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419971430 246396139 /nfs/dbraw/zinc/39/61/39/246396139.db2.gz WRLPCUUVIFZCKU-UXLLHSPISA-N 2 1 368.522 0.626 20 0 FCADMP COC[C@@]1(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360271 247011352 /nfs/dbraw/zinc/01/13/52/247011352.db2.gz QIWMYIKSWQTVEY-JTDSTZFVSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000423372356 247012548 /nfs/dbraw/zinc/01/25/48/247012548.db2.gz BFFMICIWZJAVJX-RDJZCZTQSA-N 2 1 368.522 0.530 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000423367400 247013906 /nfs/dbraw/zinc/01/39/06/247013906.db2.gz AKJXZQMEKNCSCG-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000423367400 247013911 /nfs/dbraw/zinc/01/39/11/247013911.db2.gz AKJXZQMEKNCSCG-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423380237 247016119 /nfs/dbraw/zinc/01/61/19/247016119.db2.gz NKVGCPWIQGYXLU-IRXDYDNUSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000423390756 247018616 /nfs/dbraw/zinc/01/86/16/247018616.db2.gz KKAWZOGSRSMVFY-INIZCTEOSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423534288 247044004 /nfs/dbraw/zinc/04/40/04/247044004.db2.gz ZWVXTDVOPGBLPE-MRXNPFEDSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@H+]1CCOC ZINC000423534288 247044008 /nfs/dbraw/zinc/04/40/08/247044008.db2.gz ZWVXTDVOPGBLPE-MRXNPFEDSA-N 2 1 354.495 0.143 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558899 247051848 /nfs/dbraw/zinc/05/18/48/247051848.db2.gz LOCFGNXXQKFUND-RTBURBONSA-N 2 1 370.497 0.931 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573307 247058721 /nfs/dbraw/zinc/05/87/21/247058721.db2.gz WBRGPNDVJSABML-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423471413 247033438 /nfs/dbraw/zinc/03/34/38/247033438.db2.gz WXFDWOSWGYFXNV-SJLPKXTDSA-N 2 1 358.486 0.917 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423610858 247075501 /nfs/dbraw/zinc/07/55/01/247075501.db2.gz NDUVOOWOCKDAAU-KRWDZBQOSA-N 2 1 360.502 0.815 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423610858 247075510 /nfs/dbraw/zinc/07/55/10/247075510.db2.gz NDUVOOWOCKDAAU-KRWDZBQOSA-N 2 1 360.502 0.815 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423622580 247078524 /nfs/dbraw/zinc/07/85/24/247078524.db2.gz ZEPDRGAVZRBJIZ-HNNXBMFYSA-N 2 1 364.515 0.645 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000423922669 247150430 /nfs/dbraw/zinc/15/04/30/247150430.db2.gz KDJCRFZKELNZFI-MELADBBJSA-N 2 1 350.442 0.718 20 0 FCADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423924746 247150779 /nfs/dbraw/zinc/15/07/79/247150779.db2.gz MJDQOYCDHNKXRH-MELADBBJSA-N 2 1 352.458 0.807 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000423930735 247152308 /nfs/dbraw/zinc/15/23/08/247152308.db2.gz WQEYOGVJXULCRE-IHRRRGAJSA-N 2 1 350.442 0.718 20 0 FCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423928449 247152398 /nfs/dbraw/zinc/15/23/98/247152398.db2.gz SEDMAXAABNZZQT-OBJOEFQTSA-N 2 1 350.442 0.716 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423700751 247116655 /nfs/dbraw/zinc/11/66/55/247116655.db2.gz UWZSPEZAMJLWEH-GOSISDBHSA-N 2 1 350.463 0.757 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@@H]1C[NH3+] ZINC000423722506 247125958 /nfs/dbraw/zinc/12/59/58/247125958.db2.gz FXBYIWWCNBSLDR-DJIMGWMZSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C[NH3+] ZINC000424007317 247160099 /nfs/dbraw/zinc/16/00/99/247160099.db2.gz VFNLWMGITVLANR-IKGGRYGDSA-N 2 1 366.506 0.143 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423747786 247137627 /nfs/dbraw/zinc/13/76/27/247137627.db2.gz PZLYEEDWIHZODM-HZPDHXFCSA-N 2 1 355.479 0.631 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424518711 247248888 /nfs/dbraw/zinc/24/88/88/247248888.db2.gz IKSGXPGZTLGBHG-OKZBNKHCSA-N 2 1 356.470 0.588 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000425380083 247328082 /nfs/dbraw/zinc/32/80/82/247328082.db2.gz DVPRVPBXUCFUSB-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425382826 247329522 /nfs/dbraw/zinc/32/95/22/247329522.db2.gz IBODTRVCBBMEOV-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425382826 247329524 /nfs/dbraw/zinc/32/95/24/247329524.db2.gz IBODTRVCBBMEOV-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425382826 247329530 /nfs/dbraw/zinc/32/95/30/247329530.db2.gz IBODTRVCBBMEOV-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425382827 247330690 /nfs/dbraw/zinc/33/06/90/247330690.db2.gz IBODTRVCBBMEOV-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425382827 247330695 /nfs/dbraw/zinc/33/06/95/247330695.db2.gz IBODTRVCBBMEOV-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425382827 247330700 /nfs/dbraw/zinc/33/07/00/247330700.db2.gz IBODTRVCBBMEOV-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000425391126 247332458 /nfs/dbraw/zinc/33/24/58/247332458.db2.gz RHTICTDMJZOPTJ-JKSUJKDBSA-N 2 1 368.522 0.354 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000425391126 247332460 /nfs/dbraw/zinc/33/24/60/247332460.db2.gz RHTICTDMJZOPTJ-JKSUJKDBSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1=O ZINC000425310496 247321380 /nfs/dbraw/zinc/32/13/80/247321380.db2.gz FEKZRQRSOMTKIT-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625471 248004281 /nfs/dbraw/zinc/00/42/81/248004281.db2.gz LQGHAMBCCWWKBE-ROUUACIJSA-N 2 1 354.539 0.923 20 0 FCADMP Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n2c1 ZINC000436069667 248030712 /nfs/dbraw/zinc/03/07/12/248030712.db2.gz ZAYCOYWSZWNKSW-INIZCTEOSA-N 2 1 357.458 0.822 20 0 FCADMP Cc1ccc2nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc(=O)n2c1 ZINC000436069667 248030716 /nfs/dbraw/zinc/03/07/16/248030716.db2.gz ZAYCOYWSZWNKSW-INIZCTEOSA-N 2 1 357.458 0.822 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436058181 248031162 /nfs/dbraw/zinc/03/11/62/248031162.db2.gz IAVDEZDBITUVGN-QGZVFWFLSA-N 3 1 367.538 0.295 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436058181 248031166 /nfs/dbraw/zinc/03/11/66/248031166.db2.gz IAVDEZDBITUVGN-QGZVFWFLSA-N 3 1 367.538 0.295 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000440171716 248161083 /nfs/dbraw/zinc/16/10/83/248161083.db2.gz FSDMAJJZQBJVEL-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000440171716 248161086 /nfs/dbraw/zinc/16/10/86/248161086.db2.gz FSDMAJJZQBJVEL-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000442597539 248292249 /nfs/dbraw/zinc/29/22/49/248292249.db2.gz YKKVJBYRVPYEGN-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442597539 248292251 /nfs/dbraw/zinc/29/22/51/248292251.db2.gz YKKVJBYRVPYEGN-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442597539 248292253 /nfs/dbraw/zinc/29/22/53/248292253.db2.gz YKKVJBYRVPYEGN-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442760908 248295700 /nfs/dbraw/zinc/29/57/00/248295700.db2.gz OHKIVHOFZXBTDL-IPYPFGDCSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000443633483 248334029 /nfs/dbraw/zinc/33/40/29/248334029.db2.gz QBCWTVMJZBKEIT-BRWVUGGUSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000443633483 248334034 /nfs/dbraw/zinc/33/40/34/248334034.db2.gz QBCWTVMJZBKEIT-BRWVUGGUSA-N 2 1 367.538 0.911 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039831 248346483 /nfs/dbraw/zinc/34/64/83/248346483.db2.gz YYEUQDKDNINUGF-LSDHHAIUSA-N 2 1 351.499 0.934 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)[C@H]2CC[NH2+]2)ccc1F ZINC000444176434 248349968 /nfs/dbraw/zinc/34/99/68/248349968.db2.gz PLFPENZJDNXYPA-CQSZACIVSA-N 2 1 350.394 0.787 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccn1 ZINC000452359876 249312399 /nfs/dbraw/zinc/31/23/99/249312399.db2.gz HUYQUAMWWHWIGX-INIZCTEOSA-N 2 1 350.463 0.599 20 0 FCADMP C[N@@H+](C[C@H](O)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038563 249343100 /nfs/dbraw/zinc/34/31/00/249343100.db2.gz NUVHVMDSVRFUHD-OKZBNKHCSA-N 2 1 357.454 0.559 20 0 FCADMP C[NH+](C[C@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038563 249343103 /nfs/dbraw/zinc/34/31/03/249343103.db2.gz NUVHVMDSVRFUHD-OKZBNKHCSA-N 2 1 357.454 0.559 20 0 FCADMP C[NH+](C[C@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038563 249343106 /nfs/dbraw/zinc/34/31/06/249343106.db2.gz NUVHVMDSVRFUHD-OKZBNKHCSA-N 2 1 357.454 0.559 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000452566567 249322249 /nfs/dbraw/zinc/32/22/49/249322249.db2.gz XWFUVODJJRCBTI-FXUDXRNXSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000452566567 249322253 /nfs/dbraw/zinc/32/22/53/249322253.db2.gz XWFUVODJJRCBTI-FXUDXRNXSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000452566567 249322255 /nfs/dbraw/zinc/32/22/55/249322255.db2.gz XWFUVODJJRCBTI-FXUDXRNXSA-N 2 1 352.523 0.783 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1)N1CC[NH2+]CC1 ZINC000470009670 250021079 /nfs/dbraw/zinc/02/10/79/250021079.db2.gz SXKVYIATLINFGX-KRWDZBQOSA-N 2 1 354.458 0.911 20 0 FCADMP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000470457288 250045660 /nfs/dbraw/zinc/04/56/60/250045660.db2.gz AZKQKRUEFVJNEP-UHFFFAOYSA-N 2 1 372.391 0.861 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472277688 250143241 /nfs/dbraw/zinc/14/32/41/250143241.db2.gz MYXSSENVHSKXBC-QGZVFWFLSA-N 2 1 354.495 0.110 20 0 FCADMP CC(C)N(CCOCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000473021330 250195103 /nfs/dbraw/zinc/19/51/03/250195103.db2.gz IWSMJLYTINTNPX-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)N(CCOCCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000473021330 250195104 /nfs/dbraw/zinc/19/51/04/250195104.db2.gz IWSMJLYTINTNPX-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)N(CCOCCNC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000473021330 250195109 /nfs/dbraw/zinc/19/51/09/250195109.db2.gz IWSMJLYTINTNPX-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000474044854 250266702 /nfs/dbraw/zinc/26/67/02/250266702.db2.gz JHMGFXRDAGGNAL-UHFFFAOYSA-N 2 1 351.495 0.538 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000474044854 250266705 /nfs/dbraw/zinc/26/67/05/250266705.db2.gz JHMGFXRDAGGNAL-UHFFFAOYSA-N 2 1 351.495 0.538 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000473935606 250257528 /nfs/dbraw/zinc/25/75/28/250257528.db2.gz BTUGZDFEQPGSJN-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000473935606 250257531 /nfs/dbraw/zinc/25/75/31/250257531.db2.gz BTUGZDFEQPGSJN-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000473935606 250257533 /nfs/dbraw/zinc/25/75/33/250257533.db2.gz BTUGZDFEQPGSJN-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000480919210 250296882 /nfs/dbraw/zinc/29/68/82/250296882.db2.gz XBHIZJOZCWLTQF-XHSDSOJGSA-N 2 1 370.563 0.634 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000480919210 250296885 /nfs/dbraw/zinc/29/68/85/250296885.db2.gz XBHIZJOZCWLTQF-XHSDSOJGSA-N 2 1 370.563 0.634 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000480942872 250297984 /nfs/dbraw/zinc/29/79/84/250297984.db2.gz WIUGTCWHVAQTNY-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000480942872 250297988 /nfs/dbraw/zinc/29/79/88/250297988.db2.gz WIUGTCWHVAQTNY-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000480942872 250297992 /nfs/dbraw/zinc/29/79/92/250297992.db2.gz WIUGTCWHVAQTNY-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000480931904 250298216 /nfs/dbraw/zinc/29/82/16/250298216.db2.gz JKFRCPHEIGLTOT-HNNXBMFYSA-N 2 1 370.563 0.778 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000480931904 250298222 /nfs/dbraw/zinc/29/82/22/250298222.db2.gz JKFRCPHEIGLTOT-HNNXBMFYSA-N 2 1 370.563 0.778 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000481023057 250309131 /nfs/dbraw/zinc/30/91/31/250309131.db2.gz ZZQXVPALAPVUHP-QXSJWSMHSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000481023057 250309132 /nfs/dbraw/zinc/30/91/32/250309132.db2.gz ZZQXVPALAPVUHP-QXSJWSMHSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000481023057 250309134 /nfs/dbraw/zinc/30/91/34/250309134.db2.gz ZZQXVPALAPVUHP-QXSJWSMHSA-N 2 1 350.507 0.822 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCSC1 ZINC000481653288 250347869 /nfs/dbraw/zinc/34/78/69/250347869.db2.gz AQJKFQUKHPRMLH-WMLDXEAASA-N 2 1 371.551 0.310 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746262 250352300 /nfs/dbraw/zinc/35/23/00/250352300.db2.gz VBVXPJYKVDFDIF-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000481746262 250352304 /nfs/dbraw/zinc/35/23/04/250352304.db2.gz VBVXPJYKVDFDIF-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCSC1 ZINC000481784468 250360171 /nfs/dbraw/zinc/36/01/71/250360171.db2.gz SWOUJPYVORTXBE-QGZVFWFLSA-N 2 1 358.552 0.912 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)CC2)[nH+]1 ZINC000481821002 250364064 /nfs/dbraw/zinc/36/40/64/250364064.db2.gz AXQHPSSEOXLARG-PBHICJAKSA-N 2 1 373.501 0.884 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539417 250340598 /nfs/dbraw/zinc/34/05/98/250340598.db2.gz JFARQSHCAXNGIQ-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+](C)C1 ZINC000413052904 532994750 /nfs/dbraw/zinc/99/47/50/532994750.db2.gz IRRMZNYJPWUMCJ-CVEARBPZSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052904 532994758 /nfs/dbraw/zinc/99/47/58/532994758.db2.gz IRRMZNYJPWUMCJ-CVEARBPZSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052904 532994766 /nfs/dbraw/zinc/99/47/66/532994766.db2.gz IRRMZNYJPWUMCJ-CVEARBPZSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC[N@@H+](C)C1 ZINC000413375536 532995026 /nfs/dbraw/zinc/99/50/26/532995026.db2.gz MXULALXZPHHQEN-HZPDHXFCSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375536 532995028 /nfs/dbraw/zinc/99/50/28/532995028.db2.gz MXULALXZPHHQEN-HZPDHXFCSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375536 532995037 /nfs/dbraw/zinc/99/50/37/532995037.db2.gz MXULALXZPHHQEN-HZPDHXFCSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+](C)C1 ZINC000413346627 532995614 /nfs/dbraw/zinc/99/56/14/532995614.db2.gz IIKCXUDDYKXLBU-CJNGLKHVSA-N 2 1 358.508 0.170 20 0 FCADMP C[N@H+](CCN1CC[NH+](CCCS(N)(=O)=O)CC1)Cc1ccccc1 ZINC000066534235 208015902 /nfs/dbraw/zinc/01/59/02/208015902.db2.gz CJPMNQSBFGVJBN-UHFFFAOYSA-N 2 1 354.520 0.415 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCCS(N)(=O)=O)CC1)Cc1ccccc1 ZINC000066534235 208015909 /nfs/dbraw/zinc/01/59/09/208015909.db2.gz CJPMNQSBFGVJBN-UHFFFAOYSA-N 2 1 354.520 0.415 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466066 208089019 /nfs/dbraw/zinc/08/90/19/208089019.db2.gz BGOQWWFJSBFCRL-MAUKXSAKSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466066 208089024 /nfs/dbraw/zinc/08/90/24/208089024.db2.gz BGOQWWFJSBFCRL-MAUKXSAKSA-N 2 1 373.501 0.898 20 0 FCADMP COCCN(CCO)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000104958852 208190343 /nfs/dbraw/zinc/19/03/43/208190343.db2.gz AHVBSLWOWAUABT-UHFFFAOYSA-N 2 1 363.502 0.970 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000105319591 208199172 /nfs/dbraw/zinc/19/91/72/208199172.db2.gz WWYUECQBMLDLPH-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931872654 674149129 /nfs/dbraw/zinc/14/91/29/674149129.db2.gz CJBNCXYQFLQZMQ-INIZCTEOSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931872654 674149130 /nfs/dbraw/zinc/14/91/30/674149130.db2.gz CJBNCXYQFLQZMQ-INIZCTEOSA-N 2 1 350.438 0.536 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112213484 208290650 /nfs/dbraw/zinc/29/06/50/208290650.db2.gz BNUFKDUDEMISGT-QGZVFWFLSA-N 2 1 356.511 0.709 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC000118494843 208350901 /nfs/dbraw/zinc/35/09/01/208350901.db2.gz OUHBDUSMRZCRFJ-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[N@H+]1C1CC1 ZINC000120595749 208385517 /nfs/dbraw/zinc/38/55/17/208385517.db2.gz UZWIKQNTDGLANQ-INMHGKMJSA-N 2 1 363.506 0.560 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[NH+]1C1CC1 ZINC000120595749 208385520 /nfs/dbraw/zinc/38/55/20/208385520.db2.gz UZWIKQNTDGLANQ-INMHGKMJSA-N 2 1 363.506 0.560 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[NH+]1C1CC1 ZINC000120595749 208385530 /nfs/dbraw/zinc/38/55/30/208385530.db2.gz UZWIKQNTDGLANQ-INMHGKMJSA-N 2 1 363.506 0.560 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCN(CC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000120947857 208395277 /nfs/dbraw/zinc/39/52/77/208395277.db2.gz XFMBELBAYPQTNW-CALCHBBNSA-N 3 1 352.523 0.582 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(CC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000120947857 208395284 /nfs/dbraw/zinc/39/52/84/208395284.db2.gz XFMBELBAYPQTNW-CALCHBBNSA-N 3 1 352.523 0.582 20 0 FCADMP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000176287914 209000902 /nfs/dbraw/zinc/00/09/02/209000902.db2.gz UMCMMVUCWAAVDQ-IAGOWNOFSA-N 2 1 354.495 0.318 20 0 FCADMP C(C[NH+]1CC[C@@H](C2OCCO2)C1)OCC[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932002892 674161875 /nfs/dbraw/zinc/16/18/75/674161875.db2.gz KMSHQXLHSDRJLM-IYBDPMFKSA-N 2 1 356.463 0.393 20 0 FCADMP C(C[NH+]1CC[C@H](C2OCCO2)C1)OCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932002892 674161879 /nfs/dbraw/zinc/16/18/79/674161879.db2.gz KMSHQXLHSDRJLM-IYBDPMFKSA-N 2 1 356.463 0.393 20 0 FCADMP C(C[NH+]1CC[C@H](C2OCCO2)C1)OCC[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932002892 674161881 /nfs/dbraw/zinc/16/18/81/674161881.db2.gz KMSHQXLHSDRJLM-IYBDPMFKSA-N 2 1 356.463 0.393 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000188442896 229248420 /nfs/dbraw/zinc/24/84/20/229248420.db2.gz DAKIKFZCYVTHAO-INIZCTEOSA-N 2 1 370.538 0.974 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)CC2)c1 ZINC000410468760 230090789 /nfs/dbraw/zinc/09/07/89/230090789.db2.gz BMKKDWIXFXVEJJ-MRXNPFEDSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)CC[C@H]3C)CC2)c1 ZINC000410468760 230090792 /nfs/dbraw/zinc/09/07/92/230090792.db2.gz BMKKDWIXFXVEJJ-MRXNPFEDSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410473338 230093293 /nfs/dbraw/zinc/09/32/93/230093293.db2.gz JFRQFNXKBQMBKB-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410473338 230093296 /nfs/dbraw/zinc/09/32/96/230093296.db2.gz JFRQFNXKBQMBKB-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410473338 230093297 /nfs/dbraw/zinc/09/32/97/230093297.db2.gz JFRQFNXKBQMBKB-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738488 230226719 /nfs/dbraw/zinc/22/67/19/230226719.db2.gz WNLDWDJDPXSXLU-OWCLPIDISA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738488 230226726 /nfs/dbraw/zinc/22/67/26/230226726.db2.gz WNLDWDJDPXSXLU-OWCLPIDISA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738488 230226729 /nfs/dbraw/zinc/22/67/29/230226729.db2.gz WNLDWDJDPXSXLU-OWCLPIDISA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738488 230226735 /nfs/dbraw/zinc/22/67/35/230226735.db2.gz WNLDWDJDPXSXLU-OWCLPIDISA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738489 230227396 /nfs/dbraw/zinc/22/73/96/230227396.db2.gz WNLDWDJDPXSXLU-PMPSAXMXSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738489 230227401 /nfs/dbraw/zinc/22/74/01/230227401.db2.gz WNLDWDJDPXSXLU-PMPSAXMXSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738489 230227406 /nfs/dbraw/zinc/22/74/06/230227406.db2.gz WNLDWDJDPXSXLU-PMPSAXMXSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410738489 230227408 /nfs/dbraw/zinc/22/74/08/230227408.db2.gz WNLDWDJDPXSXLU-PMPSAXMXSA-N 2 1 368.522 0.089 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410956766 230325802 /nfs/dbraw/zinc/32/58/02/230325802.db2.gz ZKFQNWQPEUJCTQ-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208913 488935811 /nfs/dbraw/zinc/93/58/11/488935811.db2.gz AQSCNXUGFKPLCB-AZUAARDMSA-N 2 1 374.529 0.890 20 0 FCADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208913 488935815 /nfs/dbraw/zinc/93/58/15/488935815.db2.gz AQSCNXUGFKPLCB-AZUAARDMSA-N 2 1 374.529 0.890 20 0 FCADMP C[N@H+]1CCCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000022944074 487627029 /nfs/dbraw/zinc/62/70/29/487627029.db2.gz HLWDCHRVXNQVRR-UHFFFAOYSA-N 2 1 360.502 0.773 20 0 FCADMP CN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000049279492 488094671 /nfs/dbraw/zinc/09/46/71/488094671.db2.gz XPALZNUCOADCKU-UHFFFAOYSA-N 2 1 361.490 0.440 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCCC3=O)CC2)CC1 ZINC000066568473 488331676 /nfs/dbraw/zinc/33/16/76/488331676.db2.gz QEAROATZOOFWLV-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP C[NH+](CCNC(=O)c1cncc(C(=O)NCC[N@H+](C)C2CC2)c1)C1CC1 ZINC000066924024 488340621 /nfs/dbraw/zinc/34/06/21/488340621.db2.gz VIWDLDVEQBRWEC-UHFFFAOYSA-N 2 1 359.474 0.730 20 0 FCADMP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069440146 488372623 /nfs/dbraw/zinc/37/26/23/488372623.db2.gz CWGOQSKVDPBXKH-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069440146 488372624 /nfs/dbraw/zinc/37/26/24/488372624.db2.gz CWGOQSKVDPBXKH-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000069506301 488372988 /nfs/dbraw/zinc/37/29/88/488372988.db2.gz SKEIQERIBUQJFH-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000070726317 488375217 /nfs/dbraw/zinc/37/52/17/488375217.db2.gz LLDWONDGJYOKKE-UHFFFAOYSA-N 2 1 374.485 0.710 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000073452458 488384528 /nfs/dbraw/zinc/38/45/28/488384528.db2.gz URJHEEMDIKUGJU-QGZVFWFLSA-N 2 1 362.474 0.315 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000073452458 488384529 /nfs/dbraw/zinc/38/45/29/488384529.db2.gz URJHEEMDIKUGJU-QGZVFWFLSA-N 2 1 362.474 0.315 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000073686215 488385857 /nfs/dbraw/zinc/38/58/57/488385857.db2.gz KCJZUYLOMURHIK-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000073713184 488385987 /nfs/dbraw/zinc/38/59/87/488385987.db2.gz IYCSZCCTOWTZGW-IBGZPJMESA-N 2 1 364.490 0.631 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315938 488390088 /nfs/dbraw/zinc/39/00/88/488390088.db2.gz BROQIMZNGVPOQN-DLBZAZTESA-N 2 1 350.507 0.587 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345148 488390940 /nfs/dbraw/zinc/39/09/40/488390940.db2.gz RCJZIJJUUXOQJW-QGZVFWFLSA-N 2 1 367.538 0.947 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863311 488394382 /nfs/dbraw/zinc/39/43/82/488394382.db2.gz ZDUCIUGJMZYUNP-PKOBYXMFSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863311 488394383 /nfs/dbraw/zinc/39/43/83/488394383.db2.gz ZDUCIUGJMZYUNP-PKOBYXMFSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000554336682 491196219 /nfs/dbraw/zinc/19/62/19/491196219.db2.gz IJWPVQUBDCQYTB-OAGGEKHMSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000077208653 488409180 /nfs/dbraw/zinc/40/91/80/488409180.db2.gz MALRGHAHMKBCQF-GJZGRUSLSA-N 2 1 365.478 0.769 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000077208653 488409181 /nfs/dbraw/zinc/40/91/81/488409181.db2.gz MALRGHAHMKBCQF-GJZGRUSLSA-N 2 1 365.478 0.769 20 0 FCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193820403 488429406 /nfs/dbraw/zinc/42/94/06/488429406.db2.gz ZHQHWOYMOJBYKO-IXDOHACOSA-N 2 1 367.538 0.816 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193820403 488429408 /nfs/dbraw/zinc/42/94/08/488429408.db2.gz ZHQHWOYMOJBYKO-IXDOHACOSA-N 2 1 367.538 0.816 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193841928 488429961 /nfs/dbraw/zinc/42/99/61/488429961.db2.gz PTOKQPAOVQMHJY-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000195142504 488435733 /nfs/dbraw/zinc/43/57/33/488435733.db2.gz UGSLRCAADUZQTE-UHFFFAOYSA-N 2 1 369.554 0.814 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565260 488435926 /nfs/dbraw/zinc/43/59/26/488435926.db2.gz BQUOAMCRIQEFRU-HNNXBMFYSA-N 2 1 363.510 0.782 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C[NH2+]C2CC2)c1 ZINC000237872112 488457284 /nfs/dbraw/zinc/45/72/84/488457284.db2.gz GMVYDEILJHCVFA-UHFFFAOYSA-N 2 1 360.458 0.716 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445215 488473122 /nfs/dbraw/zinc/47/31/22/488473122.db2.gz UJCVBHTUAMTGRM-MSOLQXFVSA-N 2 1 369.554 0.765 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1=O ZINC000247117974 488482093 /nfs/dbraw/zinc/48/20/93/488482093.db2.gz LCMGCMDVOCAXCS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000247117974 488482094 /nfs/dbraw/zinc/48/20/94/488482094.db2.gz LCMGCMDVOCAXCS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000247117974 488482096 /nfs/dbraw/zinc/48/20/96/488482096.db2.gz LCMGCMDVOCAXCS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000269256380 488483243 /nfs/dbraw/zinc/48/32/43/488483243.db2.gz JZOGMTKJCQJWKF-QZTJIDSGSA-N 2 1 374.485 0.379 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000247292881 488484205 /nfs/dbraw/zinc/48/42/05/488484205.db2.gz UGGSQASDEFATKS-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000247292881 488484208 /nfs/dbraw/zinc/48/42/08/488484208.db2.gz UGGSQASDEFATKS-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000247292881 488484211 /nfs/dbraw/zinc/48/42/11/488484211.db2.gz UGGSQASDEFATKS-WBVHZDCISA-N 2 1 363.506 0.419 20 0 FCADMP CN(C(=O)CSCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000247387981 488485857 /nfs/dbraw/zinc/48/58/57/488485857.db2.gz LVSIHGCKZUBXLW-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000248003075 488492882 /nfs/dbraw/zinc/49/28/82/488492882.db2.gz KOXKWTWCXGUHGI-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000248003075 488492885 /nfs/dbraw/zinc/49/28/85/488492885.db2.gz KOXKWTWCXGUHGI-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000248003075 488492888 /nfs/dbraw/zinc/49/28/88/488492888.db2.gz KOXKWTWCXGUHGI-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000248451360 488497023 /nfs/dbraw/zinc/49/70/23/488497023.db2.gz GAFPJFJLQVTOLF-RBUKOAKNSA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000248451360 488497025 /nfs/dbraw/zinc/49/70/25/488497025.db2.gz GAFPJFJLQVTOLF-RBUKOAKNSA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248451360 488497027 /nfs/dbraw/zinc/49/70/27/488497027.db2.gz GAFPJFJLQVTOLF-RBUKOAKNSA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248451360 488497029 /nfs/dbraw/zinc/49/70/29/488497029.db2.gz GAFPJFJLQVTOLF-RBUKOAKNSA-N 2 1 361.486 0.980 20 0 FCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248464688 488497465 /nfs/dbraw/zinc/49/74/65/488497465.db2.gz ZQGSLPYNDVMONX-IEBWSBKVSA-N 2 1 364.490 0.365 20 0 FCADMP C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000248483684 488497642 /nfs/dbraw/zinc/49/76/42/488497642.db2.gz CUIQGDJMXHUMGG-HOJAQTOUSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)N1CC[NH+](C)CC1 ZINC000248483684 488497643 /nfs/dbraw/zinc/49/76/43/488497643.db2.gz CUIQGDJMXHUMGG-HOJAQTOUSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000248636920 488499781 /nfs/dbraw/zinc/49/97/81/488499781.db2.gz QMXGSHDXTWMARW-IXDOHACOSA-N 2 1 368.522 0.584 20 0 FCADMP C[C@H](CO)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H](C)O ZINC000248927141 488504511 /nfs/dbraw/zinc/50/45/11/488504511.db2.gz LUJNUXMAHRYKLW-SJORKVTESA-N 2 1 363.502 0.962 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000249110661 488506126 /nfs/dbraw/zinc/50/61/26/488506126.db2.gz MMCFDDPBRRJGLV-IRXDYDNUSA-N 2 1 369.554 0.357 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CN1CCOCC1 ZINC000249087594 488506232 /nfs/dbraw/zinc/50/62/32/488506232.db2.gz FZJNTNWEDJTKEC-HOTGVXAUSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000249087594 488506236 /nfs/dbraw/zinc/50/62/36/488506236.db2.gz FZJNTNWEDJTKEC-HOTGVXAUSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000104949895 488506616 /nfs/dbraw/zinc/50/66/16/488506616.db2.gz STBRJWBKTFFPAD-IYBDPMFKSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000104949895 488506618 /nfs/dbraw/zinc/50/66/18/488506618.db2.gz STBRJWBKTFFPAD-IYBDPMFKSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H](C)O1 ZINC000249117460 488506835 /nfs/dbraw/zinc/50/68/35/488506835.db2.gz ONPCEVOVIQHBQQ-GVDBMIGSSA-N 2 1 370.538 0.972 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000105233569 488508962 /nfs/dbraw/zinc/50/89/62/488508962.db2.gz PKMAPBWMFYUORC-ROUUACIJSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000249516326 488511042 /nfs/dbraw/zinc/51/10/42/488511042.db2.gz FGAGTMGJXYGWNJ-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000249516326 488511045 /nfs/dbraw/zinc/51/10/45/488511045.db2.gz FGAGTMGJXYGWNJ-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000554462047 491204070 /nfs/dbraw/zinc/20/40/70/491204070.db2.gz UGMJRGQCSLJDJW-ZMSDIMECSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000554462047 491204074 /nfs/dbraw/zinc/20/40/74/491204074.db2.gz UGMJRGQCSLJDJW-ZMSDIMECSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000554462047 491204077 /nfs/dbraw/zinc/20/40/77/491204077.db2.gz UGMJRGQCSLJDJW-ZMSDIMECSA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000261641928 488529033 /nfs/dbraw/zinc/52/90/33/488529033.db2.gz IJJMAPUIEXVICI-CQSZACIVSA-N 2 1 352.866 0.743 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000261683481 488530504 /nfs/dbraw/zinc/53/05/04/488530504.db2.gz IMMUHASFHMBXDN-MOPGFXCFSA-N 2 1 370.497 0.742 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000261683481 488530506 /nfs/dbraw/zinc/53/05/06/488530506.db2.gz IMMUHASFHMBXDN-MOPGFXCFSA-N 2 1 370.497 0.742 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCOCC1 ZINC000111811690 488531586 /nfs/dbraw/zinc/53/15/86/488531586.db2.gz QTHFOFOYKRLPRM-QGZVFWFLSA-N 2 1 356.511 0.347 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@@H](C)O1 ZINC000261695163 488531578 /nfs/dbraw/zinc/53/15/78/488531578.db2.gz DHTIZAFCVJDYNW-QBPKDAKJSA-N 2 1 366.506 0.202 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000261699998 488532006 /nfs/dbraw/zinc/53/20/06/488532006.db2.gz OPZNPHVPMJLERO-HNNXBMFYSA-N 2 1 350.438 0.271 20 0 FCADMP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755817 488534768 /nfs/dbraw/zinc/53/47/68/488534768.db2.gz FLXNTSPRMIBYHD-XIRDDKMYSA-N 2 1 374.489 0.106 20 0 FCADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755817 488534770 /nfs/dbraw/zinc/53/47/70/488534770.db2.gz FLXNTSPRMIBYHD-XIRDDKMYSA-N 2 1 374.489 0.106 20 0 FCADMP [NH3+][C@@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261891330 488540624 /nfs/dbraw/zinc/54/06/24/488540624.db2.gz VNPIAMZDAQWZEN-GOSISDBHSA-N 2 1 364.465 0.818 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000261921387 488542072 /nfs/dbraw/zinc/54/20/72/488542072.db2.gz XPHVTHLGGTUICJ-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116418659 488547785 /nfs/dbraw/zinc/54/77/85/488547785.db2.gz LPCRIOVHOIVHHJ-HNNXBMFYSA-N 2 1 355.527 0.862 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262262899 488560061 /nfs/dbraw/zinc/56/00/61/488560061.db2.gz MIHPYLBDQFSQHB-UNEWFSDZSA-N 2 1 360.458 0.699 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262262899 488560064 /nfs/dbraw/zinc/56/00/64/488560064.db2.gz MIHPYLBDQFSQHB-UNEWFSDZSA-N 2 1 360.458 0.699 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262269854 488560573 /nfs/dbraw/zinc/56/05/73/488560573.db2.gz SGOHHUOFNZCBPC-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262346374 488565034 /nfs/dbraw/zinc/56/50/34/488565034.db2.gz IOJZCCGEGILJLO-ZNMIVQPWSA-N 2 1 359.536 0.636 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262346374 488565035 /nfs/dbraw/zinc/56/50/35/488565035.db2.gz IOJZCCGEGILJLO-ZNMIVQPWSA-N 2 1 359.536 0.636 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000262342594 488565195 /nfs/dbraw/zinc/56/51/95/488565195.db2.gz GIEVAIPNFNBUSZ-YESZJQIVSA-N 2 1 360.458 0.514 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530923 488586506 /nfs/dbraw/zinc/58/65/06/488586506.db2.gz AMFDAZRWZRTGCF-AWEZNQCLSA-N 2 1 360.462 0.511 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000124086831 488589375 /nfs/dbraw/zinc/58/93/75/488589375.db2.gz RHWRBTVJBFUGPE-QGZVFWFLSA-N 2 1 360.506 0.979 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000124086831 488589377 /nfs/dbraw/zinc/58/93/77/488589377.db2.gz RHWRBTVJBFUGPE-QGZVFWFLSA-N 2 1 360.506 0.979 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262836289 488596336 /nfs/dbraw/zinc/59/63/36/488596336.db2.gz QUCYPSQNYBWWNS-QGZVFWFLSA-N 2 1 362.522 0.811 20 0 FCADMP Cn1cc[nH+]c1N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272669852 488596844 /nfs/dbraw/zinc/59/68/44/488596844.db2.gz KEEXFADSENKKAK-UHFFFAOYSA-N 2 1 358.446 0.718 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573051 488602359 /nfs/dbraw/zinc/60/23/59/488602359.db2.gz VNYXIIVCTXJPKO-MRXNPFEDSA-N 2 1 374.489 0.371 20 0 FCADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000263276747 488609088 /nfs/dbraw/zinc/60/90/88/488609088.db2.gz SWRAQGMLOJKIMR-XJKSGUPXSA-N 2 1 370.291 0.956 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000132062854 488650630 /nfs/dbraw/zinc/65/06/30/488650630.db2.gz JIHWDWFVYMAEAS-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000264488695 488678758 /nfs/dbraw/zinc/67/87/58/488678758.db2.gz PFKHQDIKRMZLCT-IAGOWNOFSA-N 2 1 361.490 0.928 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491010 488678844 /nfs/dbraw/zinc/67/88/44/488678844.db2.gz PNJZCTIYNRGHHI-MOPGFXCFSA-N 2 1 360.502 0.812 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491010 488678846 /nfs/dbraw/zinc/67/88/46/488678846.db2.gz PNJZCTIYNRGHHI-MOPGFXCFSA-N 2 1 360.502 0.812 20 0 FCADMP C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000264523356 488681805 /nfs/dbraw/zinc/68/18/05/488681805.db2.gz INZSTCRBDOSWOT-SFHVURJKSA-N 2 1 373.501 0.841 20 0 FCADMP C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000264523356 488681808 /nfs/dbraw/zinc/68/18/08/488681808.db2.gz INZSTCRBDOSWOT-SFHVURJKSA-N 2 1 373.501 0.841 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000151148852 488702442 /nfs/dbraw/zinc/70/24/42/488702442.db2.gz FYTGTZPSCUDIES-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000151148852 488702445 /nfs/dbraw/zinc/70/24/45/488702445.db2.gz FYTGTZPSCUDIES-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000264766721 488709339 /nfs/dbraw/zinc/70/93/39/488709339.db2.gz VBVGYTCAAHOXLP-QGZVFWFLSA-N 2 1 363.506 0.672 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@H](C)C1 ZINC000151980050 488712049 /nfs/dbraw/zinc/71/20/49/488712049.db2.gz GZRNLPCHLZCZLG-AEFFLSMTSA-N 2 1 354.539 0.923 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000266870512 488739220 /nfs/dbraw/zinc/73/92/20/488739220.db2.gz XLYZOHVSHZQDGO-IBGZPJMESA-N 2 1 359.518 0.561 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000155138770 488751639 /nfs/dbraw/zinc/75/16/39/488751639.db2.gz ROPXZLHZJAYCOS-OAHLLOKOSA-N 2 1 364.494 0.477 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000155639419 488757153 /nfs/dbraw/zinc/75/71/53/488757153.db2.gz RCRGDGQWDUWKIY-UHFFFAOYSA-N 2 1 363.506 0.666 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506128 488778398 /nfs/dbraw/zinc/77/83/98/488778398.db2.gz ODIRAKFDYCPHSE-SJORKVTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506128 488778400 /nfs/dbraw/zinc/77/84/00/488778400.db2.gz ODIRAKFDYCPHSE-SJORKVTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000158506128 488778403 /nfs/dbraw/zinc/77/84/03/488778403.db2.gz ODIRAKFDYCPHSE-SJORKVTESA-N 2 1 367.538 0.911 20 0 FCADMP CCOC(=O)N1CCN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158737766 488780006 /nfs/dbraw/zinc/78/00/06/488780006.db2.gz NYAGCYOEYVWWDK-HZPDHXFCSA-N 2 1 352.479 0.703 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000267421418 488785259 /nfs/dbraw/zinc/78/52/59/488785259.db2.gz ZOSREOFFIHTQCZ-INIZCTEOSA-N 2 1 362.474 0.832 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000563132085 491218529 /nfs/dbraw/zinc/21/85/29/491218529.db2.gz PTGBIEPLTKZLLK-CABCVRRESA-N 2 1 362.474 0.742 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000161639953 488798468 /nfs/dbraw/zinc/79/84/68/488798468.db2.gz BFBKETHAIMDFMT-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000161639953 488798470 /nfs/dbraw/zinc/79/84/70/488798470.db2.gz BFBKETHAIMDFMT-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000163436627 488807472 /nfs/dbraw/zinc/80/74/72/488807472.db2.gz HYRGCJITYSLAFN-SJORKVTESA-N 2 1 356.511 0.347 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000172174393 488830852 /nfs/dbraw/zinc/83/08/52/488830852.db2.gz NTBRXGGYHNSFIF-OAHLLOKOSA-N 2 1 355.527 0.816 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000173398855 488842583 /nfs/dbraw/zinc/84/25/83/488842583.db2.gz QICMSEXQQDUFNG-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCNS(=O)(=O)c1ccccc1 ZINC000174729732 488851041 /nfs/dbraw/zinc/85/10/41/488851041.db2.gz HQJPBRJKMPNESO-UHFFFAOYSA-N 2 1 354.520 0.534 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000178570162 488860477 /nfs/dbraw/zinc/86/04/77/488860477.db2.gz NOUOTNCADNUURE-OAHLLOKOSA-N 2 1 360.462 0.205 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000178570162 488860478 /nfs/dbraw/zinc/86/04/78/488860478.db2.gz NOUOTNCADNUURE-OAHLLOKOSA-N 2 1 360.462 0.205 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000179311959 488861008 /nfs/dbraw/zinc/86/10/08/488861008.db2.gz FXDZPCBYAXKWBE-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000181077408 488862905 /nfs/dbraw/zinc/86/29/05/488862905.db2.gz NZZWLGNGROCMAG-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000181077408 488862906 /nfs/dbraw/zinc/86/29/06/488862906.db2.gz NZZWLGNGROCMAG-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CCN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181101294 488862965 /nfs/dbraw/zinc/86/29/65/488862965.db2.gz LRGURPWLHDSERT-SOUVJXGZSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000181101294 488862966 /nfs/dbraw/zinc/86/29/66/488862966.db2.gz LRGURPWLHDSERT-SOUVJXGZSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000181101294 488862967 /nfs/dbraw/zinc/86/29/67/488862967.db2.gz LRGURPWLHDSERT-SOUVJXGZSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181101294 488862969 /nfs/dbraw/zinc/86/29/69/488862969.db2.gz LRGURPWLHDSERT-SOUVJXGZSA-N 2 1 352.479 0.890 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000365143967 489043028 /nfs/dbraw/zinc/04/30/28/489043028.db2.gz NRBDPEBHVNTTAU-IXDOHACOSA-N 2 1 368.522 0.584 20 0 FCADMP CN1CC[NH+](CCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000365413212 489073788 /nfs/dbraw/zinc/07/37/88/489073788.db2.gz HJNAIADPSIEGHM-UHFFFAOYSA-N 2 1 352.523 0.775 20 0 FCADMP C[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H](C)[N@@H+]1CCO ZINC000365420779 489074003 /nfs/dbraw/zinc/07/40/03/489074003.db2.gz GWKCTHGWAWAFSY-GASCZTMLSA-N 2 1 364.494 1.069 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000365523834 489084481 /nfs/dbraw/zinc/08/44/81/489084481.db2.gz JBWOGHLBJFXUGN-IBGZPJMESA-N 2 1 360.502 0.885 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298786 489089148 /nfs/dbraw/zinc/08/91/48/489089148.db2.gz HPKVNYGUGLDDAY-JKSUJKDBSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000365741823 489107974 /nfs/dbraw/zinc/10/79/74/489107974.db2.gz IAUGUGDLWDTROF-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000365741823 489107976 /nfs/dbraw/zinc/10/79/76/489107976.db2.gz IAUGUGDLWDTROF-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000290574838 489150656 /nfs/dbraw/zinc/15/06/56/489150656.db2.gz SCPGBOSHELMYKZ-RDJZCZTQSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)C2 ZINC000290574838 489150658 /nfs/dbraw/zinc/15/06/58/489150658.db2.gz SCPGBOSHELMYKZ-RDJZCZTQSA-N 2 1 359.474 0.519 20 0 FCADMP [NH3+][C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000282397345 489160439 /nfs/dbraw/zinc/16/04/39/489160439.db2.gz BTXICWRYIUTBCL-SFHVURJKSA-N 2 1 361.490 0.464 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000331380650 489204346 /nfs/dbraw/zinc/20/43/46/489204346.db2.gz JJDSXVHCGMZQFQ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408584 489207612 /nfs/dbraw/zinc/20/76/12/489207612.db2.gz IWHNYXGFSNBGMU-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331426105 489209278 /nfs/dbraw/zinc/20/92/78/489209278.db2.gz POPGDJQAPVAHII-QAETUUGQSA-N 2 1 350.507 0.905 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000297604513 489212928 /nfs/dbraw/zinc/21/29/28/489212928.db2.gz BSBZEEFCPZCPOE-INIZCTEOSA-N 2 1 364.490 0.970 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000570420157 491239819 /nfs/dbraw/zinc/23/98/19/491239819.db2.gz VLDCXEGFYCKEHN-HNNXBMFYSA-N 2 1 356.536 0.388 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000570420157 491239822 /nfs/dbraw/zinc/23/98/22/491239822.db2.gz VLDCXEGFYCKEHN-HNNXBMFYSA-N 2 1 356.536 0.388 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283133892 489218197 /nfs/dbraw/zinc/21/81/97/489218197.db2.gz BJWFTGCOPTZLAM-INIZCTEOSA-N 2 1 350.463 0.100 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690138 489224703 /nfs/dbraw/zinc/22/47/03/489224703.db2.gz FERKQZXRVYQHEN-WMLDXEAASA-N 2 1 357.458 0.701 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283328569 489246020 /nfs/dbraw/zinc/24/60/20/489246020.db2.gz GCNXGNXAWJXAAL-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCCCn2ccnc2)CC[N@H+]1CCOC ZINC000283412344 489256006 /nfs/dbraw/zinc/25/60/06/489256006.db2.gz YWLOKQHSXHQZQT-INIZCTEOSA-N 2 1 365.478 0.349 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000283531505 489270831 /nfs/dbraw/zinc/27/08/31/489270831.db2.gz JTCUHKXRGKADCC-UHFFFAOYSA-N 2 1 362.474 0.073 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000283531505 489270834 /nfs/dbraw/zinc/27/08/34/489270834.db2.gz JTCUHKXRGKADCC-UHFFFAOYSA-N 2 1 362.474 0.073 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000283532032 489271222 /nfs/dbraw/zinc/27/12/22/489271222.db2.gz RGGBWKKGWGXVGG-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820630 489278886 /nfs/dbraw/zinc/27/88/86/489278886.db2.gz CHSLUMQYJBPXJB-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000283627526 489282897 /nfs/dbraw/zinc/28/28/97/489282897.db2.gz WKQGXXPKHHSODZ-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000283627526 489282901 /nfs/dbraw/zinc/28/29/01/489282901.db2.gz WKQGXXPKHHSODZ-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000283627526 489282905 /nfs/dbraw/zinc/28/29/05/489282905.db2.gz WKQGXXPKHHSODZ-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297792 489340513 /nfs/dbraw/zinc/34/05/13/489340513.db2.gz HJMAWARMQONOLR-DLBZAZTESA-N 2 1 369.554 0.668 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000286000955 489344103 /nfs/dbraw/zinc/34/41/03/489344103.db2.gz UEDJMOVLDNCJPJ-QAPCUYQASA-N 2 1 369.469 0.944 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286000955 489344105 /nfs/dbraw/zinc/34/41/05/489344105.db2.gz UEDJMOVLDNCJPJ-QAPCUYQASA-N 2 1 369.469 0.944 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000286035033 489349140 /nfs/dbraw/zinc/34/91/40/489349140.db2.gz RJBGMWWXICXIAT-INIZCTEOSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000286035033 489349142 /nfs/dbraw/zinc/34/91/42/489349142.db2.gz RJBGMWWXICXIAT-INIZCTEOSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286035033 489349146 /nfs/dbraw/zinc/34/91/46/489349146.db2.gz RJBGMWWXICXIAT-INIZCTEOSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000286037287 489349366 /nfs/dbraw/zinc/34/93/66/489349366.db2.gz RJBGMWWXICXIAT-MRXNPFEDSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000286037287 489349367 /nfs/dbraw/zinc/34/93/67/489349367.db2.gz RJBGMWWXICXIAT-MRXNPFEDSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286037287 489349369 /nfs/dbraw/zinc/34/93/69/489349369.db2.gz RJBGMWWXICXIAT-MRXNPFEDSA-N 2 1 364.490 0.318 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000370516803 489369553 /nfs/dbraw/zinc/36/95/53/489369553.db2.gz CEJPYQQZSYSKRY-SFHVURJKSA-N 2 1 353.507 0.935 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236337 489372206 /nfs/dbraw/zinc/37/22/06/489372206.db2.gz UNWSJFBDSDQLLH-RBUKOAKNSA-N 2 1 360.502 0.860 20 0 FCADMP CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000370682498 489389284 /nfs/dbraw/zinc/38/92/84/489389284.db2.gz OCWKYADUYILZJP-INIZCTEOSA-N 2 1 370.563 0.826 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000286529324 489401157 /nfs/dbraw/zinc/40/11/57/489401157.db2.gz PSUYLAMAJQLAKU-CQSZACIVSA-N 2 1 352.454 0.830 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000362930411 489405979 /nfs/dbraw/zinc/40/59/79/489405979.db2.gz DOUYMYMMSJAJTJ-IRXDYDNUSA-N 2 1 360.458 0.666 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933103 489406393 /nfs/dbraw/zinc/40/63/93/489406393.db2.gz SNOMGZVVELASKJ-SJORKVTESA-N 2 1 358.442 0.550 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933103 489406395 /nfs/dbraw/zinc/40/63/95/489406395.db2.gz SNOMGZVVELASKJ-SJORKVTESA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933103 489406396 /nfs/dbraw/zinc/40/63/96/489406396.db2.gz SNOMGZVVELASKJ-SJORKVTESA-N 2 1 358.442 0.550 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2C1 ZINC000362933103 489406398 /nfs/dbraw/zinc/40/63/98/489406398.db2.gz SNOMGZVVELASKJ-SJORKVTESA-N 2 1 358.442 0.550 20 0 FCADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cn(C)c(=O)n(C)c3=O)C2)nc(C)[nH+]1 ZINC000363010008 489411295 /nfs/dbraw/zinc/41/12/95/489411295.db2.gz DDTKCQUKPOCTLL-OAHLLOKOSA-N 2 1 358.446 0.249 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000286768625 489426927 /nfs/dbraw/zinc/42/69/27/489426927.db2.gz YCIRPJBKFMACKL-OAHLLOKOSA-N 2 1 366.462 0.007 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027457 489440278 /nfs/dbraw/zinc/44/02/78/489440278.db2.gz IKNZDUMNHCLSJA-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371027457 489440279 /nfs/dbraw/zinc/44/02/79/489440279.db2.gz IKNZDUMNHCLSJA-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371027457 489440282 /nfs/dbraw/zinc/44/02/82/489440282.db2.gz IKNZDUMNHCLSJA-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000563616986 491258241 /nfs/dbraw/zinc/25/82/41/491258241.db2.gz RMRATHBHRSFWFZ-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000363499612 489472660 /nfs/dbraw/zinc/47/26/60/489472660.db2.gz OQIDSIGPCDYKOL-HNNXBMFYSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000363499612 489472663 /nfs/dbraw/zinc/47/26/63/489472663.db2.gz OQIDSIGPCDYKOL-HNNXBMFYSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCSCC1 ZINC000371356418 489480358 /nfs/dbraw/zinc/48/03/58/489480358.db2.gz XLVUTNTVLCKBAX-IXDOHACOSA-N 2 1 354.564 0.908 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469811 489485187 /nfs/dbraw/zinc/48/51/87/489485187.db2.gz GSGNADJVDFAJGO-CEXWTWQISA-N 2 1 374.533 0.912 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423081950 489492224 /nfs/dbraw/zinc/49/22/24/489492224.db2.gz CFKSTRYQQOHWRR-CALCHBBNSA-N 2 1 350.507 0.635 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]CC1 ZINC000423097152 489492469 /nfs/dbraw/zinc/49/24/69/489492469.db2.gz IYMZTWPNWLCXFG-INIZCTEOSA-N 3 1 354.539 0.923 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000423192729 489501509 /nfs/dbraw/zinc/50/15/09/489501509.db2.gz VXUOQIWUHDGARZ-QKPAOTATSA-N 2 1 352.479 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000423192729 489501512 /nfs/dbraw/zinc/50/15/12/489501512.db2.gz VXUOQIWUHDGARZ-QKPAOTATSA-N 2 1 352.479 0.036 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000423204118 489502072 /nfs/dbraw/zinc/50/20/72/489502072.db2.gz NQDOCMDKTYNLLK-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423204116 489502386 /nfs/dbraw/zinc/50/23/86/489502386.db2.gz NQDOCMDKTYNLLK-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616121 491259799 /nfs/dbraw/zinc/25/97/99/491259799.db2.gz AMVHMSZLUJKHKN-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616121 491259800 /nfs/dbraw/zinc/25/98/00/491259800.db2.gz AMVHMSZLUJKHKN-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423287993 489512072 /nfs/dbraw/zinc/51/20/72/489512072.db2.gz PVNRNUMKVJHUKV-BBWFWOEESA-N 2 1 373.501 0.787 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@@H]1C[NH3+] ZINC000423289550 489512155 /nfs/dbraw/zinc/51/21/55/489512155.db2.gz XNFHOJDATHEYCT-ZBFHGGJFSA-N 2 1 361.490 0.645 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@@H]1C[NH3+] ZINC000423289549 489512162 /nfs/dbraw/zinc/51/21/62/489512162.db2.gz XNFHOJDATHEYCT-HOCLYGCPSA-N 2 1 361.490 0.645 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563640447 491260509 /nfs/dbraw/zinc/26/05/09/491260509.db2.gz RMWXISFHKORIBS-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000415512010 489526042 /nfs/dbraw/zinc/52/60/42/489526042.db2.gz RWAOWUOATYQLGD-ILXRZTDVSA-N 2 1 362.474 0.945 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415512012 489526356 /nfs/dbraw/zinc/52/63/56/489526356.db2.gz RWAOWUOATYQLGD-KFWWJZLASA-N 2 1 362.474 0.945 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415512012 489526360 /nfs/dbraw/zinc/52/63/60/489526360.db2.gz RWAOWUOATYQLGD-KFWWJZLASA-N 2 1 362.474 0.945 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415517943 489526791 /nfs/dbraw/zinc/52/67/91/489526791.db2.gz IDVBRKQZNJWNQN-DOTOQJQBSA-N 2 1 374.485 0.696 20 0 FCADMP CC1CN(C[C@H](O)C[NH+](C)C2CC2)CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000451891084 489528918 /nfs/dbraw/zinc/52/89/18/489528918.db2.gz NVKYLJVIWDMTMX-WOJBJXKFSA-N 2 1 368.566 0.150 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CC1 ZINC000415613577 489537049 /nfs/dbraw/zinc/53/70/49/489537049.db2.gz NKKYOCNWHNGKSW-UHFFFAOYSA-N 2 1 369.416 0.477 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815477 489554715 /nfs/dbraw/zinc/55/47/15/489554715.db2.gz LGYDOCFPPFYGGF-AEFFLSMTSA-N 2 1 372.469 0.320 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005281 489567595 /nfs/dbraw/zinc/56/75/95/489567595.db2.gz JMHZBSYIXHFZHN-STQMWFEESA-N 2 1 353.433 0.839 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786005 491264270 /nfs/dbraw/zinc/26/42/70/491264270.db2.gz REYOBOXEXUUJON-UONOGXRCSA-N 2 1 365.444 0.947 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591692 489614723 /nfs/dbraw/zinc/61/47/23/489614723.db2.gz MMTCUUGOVFLXLX-XJKSGUPXSA-N 2 1 374.489 0.687 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591690 489614810 /nfs/dbraw/zinc/61/48/10/489614810.db2.gz MMTCUUGOVFLXLX-CJNGLKHVSA-N 2 1 374.489 0.687 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416831350 489631281 /nfs/dbraw/zinc/63/12/81/489631281.db2.gz BBRGEVSVELNMRQ-MSOLQXFVSA-N 2 1 373.501 0.757 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000416865219 489631923 /nfs/dbraw/zinc/63/19/23/489631923.db2.gz JCIBVJSGKJVPOV-QGZVFWFLSA-N 2 1 356.511 0.883 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@H](C)O1 ZINC000416948873 489635629 /nfs/dbraw/zinc/63/56/29/489635629.db2.gz QEJGFGSGUYEUHR-IXDOHACOSA-N 2 1 368.522 0.883 20 0 FCADMP C[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049017 489640075 /nfs/dbraw/zinc/64/00/75/489640075.db2.gz YJURTJNKALZUKZ-SJLPKXTDSA-N 2 1 361.490 0.566 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417274406 489646217 /nfs/dbraw/zinc/64/62/17/489646217.db2.gz ZVVBRMMYRRGSDE-MRXNPFEDSA-N 2 1 364.490 0.943 20 0 FCADMP COCC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417274406 489646218 /nfs/dbraw/zinc/64/62/18/489646218.db2.gz ZVVBRMMYRRGSDE-MRXNPFEDSA-N 2 1 364.490 0.943 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417360760 489649717 /nfs/dbraw/zinc/64/97/17/489649717.db2.gz BJODAFCNMFCROT-SJORKVTESA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1[NH2+]CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000417363647 489649772 /nfs/dbraw/zinc/64/97/72/489649772.db2.gz AUPBRSUSPGMPMB-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C[C@H](C)O1 ZINC000457571604 489650103 /nfs/dbraw/zinc/65/01/03/489650103.db2.gz HZHORSRDPYQJCH-BBWFWOEESA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C[C@H](C)O1 ZINC000457571604 489650106 /nfs/dbraw/zinc/65/01/06/489650106.db2.gz HZHORSRDPYQJCH-BBWFWOEESA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C[C@H](C)O1 ZINC000457571604 489650107 /nfs/dbraw/zinc/65/01/07/489650107.db2.gz HZHORSRDPYQJCH-BBWFWOEESA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1[NH3+] ZINC000417383752 489651120 /nfs/dbraw/zinc/65/11/20/489651120.db2.gz KQDZIJUCCNJRPM-SJLPKXTDSA-N 2 1 360.506 0.972 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417428142 489652880 /nfs/dbraw/zinc/65/28/80/489652880.db2.gz KFBUEXNQMOXLCF-HZPDHXFCSA-N 2 1 353.511 0.761 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000417431871 489652896 /nfs/dbraw/zinc/65/28/96/489652896.db2.gz RVVOTXKRLKBIHI-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417434204 489653216 /nfs/dbraw/zinc/65/32/16/489653216.db2.gz WUUXBAXYLXUTNN-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417433072 489653291 /nfs/dbraw/zinc/65/32/91/489653291.db2.gz UWSUKCIHBPNQGV-HZMVEIRTSA-N 2 1 365.522 0.698 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000417435424 489653376 /nfs/dbraw/zinc/65/33/76/489653376.db2.gz YODFDOJKDHMHHU-OWCLPIDISA-N 2 1 353.511 0.555 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448768 489654767 /nfs/dbraw/zinc/65/47/67/489654767.db2.gz WIIQRVDDTAMMFW-OLZOCXBDSA-N 2 1 353.433 0.852 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000417497470 489656237 /nfs/dbraw/zinc/65/62/37/489656237.db2.gz BBTGARGSKRGLBL-ZWKOTPCHSA-N 2 1 364.490 0.984 20 0 FCADMP CC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417544406 489657333 /nfs/dbraw/zinc/65/73/33/489657333.db2.gz HOUODUFWKJLQSK-QGZVFWFLSA-N 2 1 361.490 0.793 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000417550840 489658117 /nfs/dbraw/zinc/65/81/17/489658117.db2.gz MMTMRQTVZVDOJJ-WCQYABFASA-N 2 1 351.417 0.604 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417557381 489658446 /nfs/dbraw/zinc/65/84/46/489658446.db2.gz BLAQJRZACGUPEQ-GOEBONIOSA-N 2 1 364.494 0.857 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000417674514 489660693 /nfs/dbraw/zinc/66/06/93/489660693.db2.gz ZPWCPLSFQCUAEI-SJORKVTESA-N 2 1 355.527 0.328 20 0 FCADMP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C[NH+]1CCCC1 ZINC000457889741 489661996 /nfs/dbraw/zinc/66/19/96/489661996.db2.gz VKMFHWYGFOVPFB-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C[NH+]1CCCC1 ZINC000457889742 489662109 /nfs/dbraw/zinc/66/21/09/489662109.db2.gz VKMFHWYGFOVPFB-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000417710344 489662314 /nfs/dbraw/zinc/66/23/14/489662314.db2.gz PIFCYPHQBKQNHK-GJZGRUSLSA-N 2 1 351.495 0.500 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458018393 489665609 /nfs/dbraw/zinc/66/56/09/489665609.db2.gz QSLROGRDISXMQI-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417807666 489666400 /nfs/dbraw/zinc/66/64/00/489666400.db2.gz DJSGAESWTHFZNP-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000417871369 489668908 /nfs/dbraw/zinc/66/89/08/489668908.db2.gz ZUCCMDOWSSXXFS-HNNXBMFYSA-N 2 1 366.462 0.241 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000417871369 489668914 /nfs/dbraw/zinc/66/89/14/489668914.db2.gz ZUCCMDOWSSXXFS-HNNXBMFYSA-N 2 1 366.462 0.241 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373128098 489671393 /nfs/dbraw/zinc/67/13/93/489671393.db2.gz YIHDHQAEJMPLNA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373128098 489671395 /nfs/dbraw/zinc/67/13/95/489671395.db2.gz YIHDHQAEJMPLNA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373128098 489671397 /nfs/dbraw/zinc/67/13/97/489671397.db2.gz YIHDHQAEJMPLNA-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000555747197 491270332 /nfs/dbraw/zinc/27/03/32/491270332.db2.gz SJYJHIZACJTFTI-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458230710 489674211 /nfs/dbraw/zinc/67/42/11/489674211.db2.gz GTURAQARYGCZDO-KRWDZBQOSA-N 2 1 356.511 0.633 20 0 FCADMP O=C(NCc1ccccc1-n1ccnc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570872052 491270759 /nfs/dbraw/zinc/27/07/59/491270759.db2.gz TWKNIGWZROHRPG-OAHLLOKOSA-N 2 1 353.426 0.841 20 0 FCADMP O=C(NCc1ccccc1-n1ccnc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000570872052 491270760 /nfs/dbraw/zinc/27/07/60/491270760.db2.gz TWKNIGWZROHRPG-OAHLLOKOSA-N 2 1 353.426 0.841 20 0 FCADMP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000418182685 489682913 /nfs/dbraw/zinc/68/29/13/489682913.db2.gz OBCNRAGNYGWCNN-DQIHPLBOSA-N 2 1 365.522 0.696 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297137 489689135 /nfs/dbraw/zinc/68/91/35/489689135.db2.gz KMMFYXGINJOMPE-IBGZPJMESA-N 2 1 374.533 0.983 20 0 FCADMP C[C@H]1[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[N@@H+]1C ZINC000458668698 489695328 /nfs/dbraw/zinc/69/53/28/489695328.db2.gz VWVRQPPDABLNLM-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[N@H+]1C ZINC000458668698 489695330 /nfs/dbraw/zinc/69/53/30/489695330.db2.gz VWVRQPPDABLNLM-JKSUJKDBSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@](O)(CNC(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCOCC1 ZINC000418441879 489698387 /nfs/dbraw/zinc/69/83/87/489698387.db2.gz JCQUAZHSNSQIEJ-GOSISDBHSA-N 2 1 356.511 0.681 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418562247 489707260 /nfs/dbraw/zinc/70/72/60/489707260.db2.gz QTISSHVYWRPKOO-ROUUACIJSA-N 2 1 364.490 0.754 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418570862 489707995 /nfs/dbraw/zinc/70/79/95/489707995.db2.gz RBOPWSXULUOPAN-SKDZVZGDSA-N 2 1 368.428 0.776 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611502 489710288 /nfs/dbraw/zinc/71/02/88/489710288.db2.gz HQJCIHWLNMBQKE-UONOGXRCSA-N 2 1 365.444 0.948 20 0 FCADMP COCC1(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC[NH2+]CC1 ZINC000418618702 489710860 /nfs/dbraw/zinc/71/08/60/489710860.db2.gz ASGNDTQLXMAZEC-HNNXBMFYSA-N 2 1 370.494 0.281 20 0 FCADMP COCC1(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC[NH2+]CC1 ZINC000418618702 489710864 /nfs/dbraw/zinc/71/08/64/489710864.db2.gz ASGNDTQLXMAZEC-HNNXBMFYSA-N 2 1 370.494 0.281 20 0 FCADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418665196 489716461 /nfs/dbraw/zinc/71/64/61/489716461.db2.gz CCVPJEQUBPOAFK-ITGUQSILSA-N 2 1 350.385 0.500 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000418669613 489717230 /nfs/dbraw/zinc/71/72/30/489717230.db2.gz JMFKHJRWMUGYMP-PKOBYXMFSA-N 2 1 364.490 0.849 20 0 FCADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000430293455 489729388 /nfs/dbraw/zinc/72/93/88/489729388.db2.gz ZNCKPMLWQMLZBO-AWEZNQCLSA-N 2 1 367.412 0.868 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485758 489734217 /nfs/dbraw/zinc/73/42/17/489734217.db2.gz UADYTACUYIVBKU-KSZLIROESA-N 2 1 354.539 0.874 20 0 FCADMP CC[NH+]1C[C@@H](C)N(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485758 489734221 /nfs/dbraw/zinc/73/42/21/489734221.db2.gz UADYTACUYIVBKU-KSZLIROESA-N 2 1 354.539 0.874 20 0 FCADMP CC[NH+]1C[C@@H](C)N(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485758 489734226 /nfs/dbraw/zinc/73/42/26/489734226.db2.gz UADYTACUYIVBKU-KSZLIROESA-N 2 1 354.539 0.874 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418816467 489736692 /nfs/dbraw/zinc/73/66/92/489736692.db2.gz LTDDTBSFOIAIFM-HNNXBMFYSA-N 2 1 361.490 0.936 20 0 FCADMP C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459539821 489738133 /nfs/dbraw/zinc/73/81/33/489738133.db2.gz QCVFLVQTUVAHGC-NVXWUHKLSA-N 2 1 354.520 0.883 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418823255 489739490 /nfs/dbraw/zinc/73/94/90/489739490.db2.gz BVGJQUPVBKJJFW-OAHLLOKOSA-N 2 1 352.479 0.087 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccco1 ZINC000418826051 489741768 /nfs/dbraw/zinc/74/17/68/489741768.db2.gz FPMYOEIWZBPWDW-INIZCTEOSA-N 2 1 358.442 0.986 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000570991088 491278628 /nfs/dbraw/zinc/27/86/28/491278628.db2.gz TXQDWFYYGDVKCC-DLBZAZTESA-N 2 1 350.507 0.779 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000418831423 489744599 /nfs/dbraw/zinc/74/45/99/489744599.db2.gz GGWCOEGMGLDAEH-KBMXLJTQSA-N 2 1 362.474 0.610 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418831025 489744625 /nfs/dbraw/zinc/74/46/25/489744625.db2.gz KDBHGAJWCVUJRO-HNNXBMFYSA-N 2 1 352.479 0.006 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(OCCC[NH3+])CC2)C1 ZINC000430589008 489749340 /nfs/dbraw/zinc/74/93/40/489749340.db2.gz GSTDGFQQVWQRGB-SFHVURJKSA-N 2 1 370.538 0.289 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000430599894 489750882 /nfs/dbraw/zinc/75/08/82/489750882.db2.gz GSYXKNNOROJULF-ZDUSSCGKSA-N 2 1 373.413 0.752 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000430599894 489750887 /nfs/dbraw/zinc/75/08/87/489750887.db2.gz GSYXKNNOROJULF-ZDUSSCGKSA-N 2 1 373.413 0.752 20 0 FCADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430608735 489752170 /nfs/dbraw/zinc/75/21/70/489752170.db2.gz FXAJXEZAJRLEKN-AQFXKWCLSA-N 2 1 350.507 0.825 20 0 FCADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611591 489753584 /nfs/dbraw/zinc/75/35/84/489753584.db2.gz ORIQBFJAIGPHCK-GOEBONIOSA-N 2 1 362.474 0.487 20 0 FCADMP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610565 489753700 /nfs/dbraw/zinc/75/37/00/489753700.db2.gz LAQJNMUOAXXMMR-YPMHNXCESA-N 2 1 353.492 0.874 20 0 FCADMP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610565 489753704 /nfs/dbraw/zinc/75/37/04/489753704.db2.gz LAQJNMUOAXXMMR-YPMHNXCESA-N 2 1 353.492 0.874 20 0 FCADMP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000418847774 489754096 /nfs/dbraw/zinc/75/40/96/489754096.db2.gz JXXCUTNPDFNJFZ-MRXNPFEDSA-N 2 1 362.474 0.625 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)cn1 ZINC000430618525 489754394 /nfs/dbraw/zinc/75/43/94/489754394.db2.gz VCHPHPIYWNXLJJ-CYBMUJFWSA-N 2 1 365.865 0.817 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)cn1 ZINC000430618525 489754399 /nfs/dbraw/zinc/75/43/99/489754399.db2.gz VCHPHPIYWNXLJJ-CYBMUJFWSA-N 2 1 365.865 0.817 20 0 FCADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618211 489755262 /nfs/dbraw/zinc/75/52/62/489755262.db2.gz RWDRFAAHMNHXAD-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000418848964 489755374 /nfs/dbraw/zinc/75/53/74/489755374.db2.gz MASKDMBCOUCXPS-KBMXLJTQSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620868 489756005 /nfs/dbraw/zinc/75/60/05/489756005.db2.gz IKIQKWQGZQREMQ-ZBFHGGJFSA-N 2 1 364.465 0.960 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418851027 489756743 /nfs/dbraw/zinc/75/67/43/489756743.db2.gz OSXKUSNAGIIYQM-VYDXJSESSA-N 2 1 374.485 0.482 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630645 489757737 /nfs/dbraw/zinc/75/77/37/489757737.db2.gz RSUITSAAGGAYJT-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626714 489757854 /nfs/dbraw/zinc/75/78/54/489757854.db2.gz MGHZJRWQMNTLPP-KFWWJZLASA-N 2 1 367.494 0.178 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418856723 489760522 /nfs/dbraw/zinc/76/05/22/489760522.db2.gz XKDFKPMVBHVNNP-YCPHGPKFSA-N 2 1 362.474 0.658 20 0 FCADMP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643222 489761987 /nfs/dbraw/zinc/76/19/87/489761987.db2.gz QRKFOFQXRPRCEB-GOSISDBHSA-N 2 1 360.502 0.994 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430647519 489762375 /nfs/dbraw/zinc/76/23/75/489762375.db2.gz YDDCGLSATCMRJK-AWEZNQCLSA-N 2 1 366.437 0.108 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418861146 489762474 /nfs/dbraw/zinc/76/24/74/489762474.db2.gz MQTJVJYTGRMFEH-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651632 489763124 /nfs/dbraw/zinc/76/31/24/489763124.db2.gz WDRJVVMDDFOXHN-QGZVFWFLSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652015 489763185 /nfs/dbraw/zinc/76/31/85/489763185.db2.gz WQIWMAAWPZSEOL-UKRRQHHQSA-N 2 1 350.438 0.617 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418865335 489765164 /nfs/dbraw/zinc/76/51/64/489765164.db2.gz RKLGGUKUUVFWHH-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418870683 489768014 /nfs/dbraw/zinc/76/80/14/489768014.db2.gz YWFWOQJCINZRTN-GOSISDBHSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418879001 489771204 /nfs/dbraw/zinc/77/12/04/489771204.db2.gz MVLMNFUEPWSAGQ-ZBFHGGJFSA-N 2 1 354.495 0.237 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418885539 489774059 /nfs/dbraw/zinc/77/40/59/489774059.db2.gz YUXCTOFWAWNYJW-KRWDZBQOSA-N 2 1 374.485 0.080 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000418885541 489775182 /nfs/dbraw/zinc/77/51/82/489775182.db2.gz YUXCTOFWAWNYJW-QGZVFWFLSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430932015 489778553 /nfs/dbraw/zinc/77/85/53/489778553.db2.gz DCPQUYLLAPBQBG-XJKSGUPXSA-N 2 1 368.503 0.052 20 0 FCADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940131 489779672 /nfs/dbraw/zinc/77/96/72/489779672.db2.gz NWRVAWQGYNJKDE-KRWDZBQOSA-N 2 1 358.486 0.546 20 0 FCADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940131 489779673 /nfs/dbraw/zinc/77/96/73/489779673.db2.gz NWRVAWQGYNJKDE-KRWDZBQOSA-N 2 1 358.486 0.546 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933354 489780044 /nfs/dbraw/zinc/78/00/44/489780044.db2.gz HXYRGFTXABJSJF-XQQFMLRXSA-N 2 1 354.476 0.180 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933354 489780047 /nfs/dbraw/zinc/78/00/47/489780047.db2.gz HXYRGFTXABJSJF-XQQFMLRXSA-N 2 1 354.476 0.180 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000431057850 489786098 /nfs/dbraw/zinc/78/60/98/489786098.db2.gz JZSLWTRNBNENNZ-INIZCTEOSA-N 2 1 363.458 0.557 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000431057850 489786101 /nfs/dbraw/zinc/78/61/01/489786101.db2.gz JZSLWTRNBNENNZ-INIZCTEOSA-N 2 1 363.458 0.557 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000418933350 489794982 /nfs/dbraw/zinc/79/49/82/489794982.db2.gz ZTNRSLHKACNFRX-HZPDHXFCSA-N 2 1 356.511 0.291 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000460001570 489814957 /nfs/dbraw/zinc/81/49/57/489814957.db2.gz YZUURTCLRYSDEY-IAGOWNOFSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000419004306 489815119 /nfs/dbraw/zinc/81/51/19/489815119.db2.gz QYCDZCMSDOXJFA-HXUWFJFHSA-N 2 1 358.486 0.837 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000460010007 489816745 /nfs/dbraw/zinc/81/67/45/489816745.db2.gz OUMXGQUXUUSTOE-KRWDZBQOSA-N 2 1 373.501 0.839 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000460010007 489816749 /nfs/dbraw/zinc/81/67/49/489816749.db2.gz OUMXGQUXUUSTOE-KRWDZBQOSA-N 2 1 373.501 0.839 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000460008855 489817335 /nfs/dbraw/zinc/81/73/35/489817335.db2.gz FPRXVYITGAPVJF-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000419026207 489823402 /nfs/dbraw/zinc/82/34/02/489823402.db2.gz MXPKXUDIRIDOHH-AWEZNQCLSA-N 2 1 359.405 0.804 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419027233 489823504 /nfs/dbraw/zinc/82/35/04/489823504.db2.gz ODJVJCQPXSAXPK-OWCLPIDISA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCN(C)CC1 ZINC000571030164 491281443 /nfs/dbraw/zinc/28/14/43/491281443.db2.gz AISYGLFPQOVTSS-QGZVFWFLSA-N 2 1 363.510 0.204 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033682 489826602 /nfs/dbraw/zinc/82/66/02/489826602.db2.gz YPKFTTHTHCADDD-OWCLPIDISA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571031766 491281454 /nfs/dbraw/zinc/28/14/54/491281454.db2.gz YYBDSLXBESMTQM-NVXWUHKLSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571031766 491281455 /nfs/dbraw/zinc/28/14/55/491281455.db2.gz YYBDSLXBESMTQM-NVXWUHKLSA-N 2 1 374.485 0.390 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000419040087 489830470 /nfs/dbraw/zinc/83/04/70/489830470.db2.gz LUHFHKAAAMOBEZ-NCOADZHNSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+](C)C3CC3)CC2)CCO1 ZINC000460047560 489831630 /nfs/dbraw/zinc/83/16/30/489831630.db2.gz FWYYVVMRBKQANE-HNNXBMFYSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)CC2)CCO1 ZINC000460047560 489831634 /nfs/dbraw/zinc/83/16/34/489831634.db2.gz FWYYVVMRBKQANE-HNNXBMFYSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)CC2)CCO1 ZINC000460047560 489831636 /nfs/dbraw/zinc/83/16/36/489831636.db2.gz FWYYVVMRBKQANE-HNNXBMFYSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419043390 489832276 /nfs/dbraw/zinc/83/22/76/489832276.db2.gz JLRCPGKIZMVJDR-OWLYRPNTSA-N 2 1 356.470 0.616 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419045341 489833246 /nfs/dbraw/zinc/83/32/46/489833246.db2.gz NQIJAPDORXYMFU-NJAFHUGGSA-N 2 1 374.485 0.514 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000563984592 491281905 /nfs/dbraw/zinc/28/19/05/491281905.db2.gz ISASANYICOYWHA-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000563984592 491281907 /nfs/dbraw/zinc/28/19/07/491281907.db2.gz ISASANYICOYWHA-INIZCTEOSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419057396 489838307 /nfs/dbraw/zinc/83/83/07/489838307.db2.gz AAOBORVIJZGNJV-OWCLPIDISA-N 2 1 368.522 0.591 20 0 FCADMP CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419057396 489838310 /nfs/dbraw/zinc/83/83/10/489838310.db2.gz AAOBORVIJZGNJV-OWCLPIDISA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC000419058188 489838407 /nfs/dbraw/zinc/83/84/07/489838407.db2.gz BIBOJEDTZYYAHF-KBUPBQIOSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419057929 489838549 /nfs/dbraw/zinc/83/85/49/489838549.db2.gz ASEKFUIUYRCKNC-XUWVNRHRSA-N 2 1 368.522 0.719 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419057929 489838554 /nfs/dbraw/zinc/83/85/54/489838554.db2.gz ASEKFUIUYRCKNC-XUWVNRHRSA-N 2 1 368.522 0.719 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC1 ZINC000460079507 489845750 /nfs/dbraw/zinc/84/57/50/489845750.db2.gz JDVRUALDTKFFSP-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000460079507 489845754 /nfs/dbraw/zinc/84/57/54/489845754.db2.gz JDVRUALDTKFFSP-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000460079507 489845759 /nfs/dbraw/zinc/84/57/59/489845759.db2.gz JDVRUALDTKFFSP-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000460079507 489845762 /nfs/dbraw/zinc/84/57/62/489845762.db2.gz JDVRUALDTKFFSP-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000460079507 489845767 /nfs/dbraw/zinc/84/57/67/489845767.db2.gz JDVRUALDTKFFSP-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077571 489847504 /nfs/dbraw/zinc/84/75/04/489847504.db2.gz RKODJQKNVAVGPL-WMLDXEAASA-N 2 1 360.458 0.083 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077571 489847508 /nfs/dbraw/zinc/84/75/08/489847508.db2.gz RKODJQKNVAVGPL-WMLDXEAASA-N 2 1 360.458 0.083 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCCO1 ZINC000432551378 489847650 /nfs/dbraw/zinc/84/76/50/489847650.db2.gz DVFYTWLHHGYPQK-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]c1 ZINC000419088242 489851499 /nfs/dbraw/zinc/85/14/99/489851499.db2.gz BDLUWZCSGQVFQZ-HRCADAONSA-N 2 1 359.474 0.813 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000419091216 489852490 /nfs/dbraw/zinc/85/24/90/489852490.db2.gz VYIZWPUEYFQORM-IIAWOOMASA-N 2 1 368.522 0.624 20 0 FCADMP CN(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000475972087 489859480 /nfs/dbraw/zinc/85/94/80/489859480.db2.gz ACECXTHFBMNFCX-UHFFFAOYSA-N 2 1 361.490 0.777 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)[NH+]1CCOCC1 ZINC000419111981 489859983 /nfs/dbraw/zinc/85/99/83/489859983.db2.gz DVUIJUVRCDWEQY-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419112973 489860608 /nfs/dbraw/zinc/86/06/08/489860608.db2.gz GITASSHVUOBQIH-BBWFWOEESA-N 2 1 368.522 0.626 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000460277979 489861446 /nfs/dbraw/zinc/86/14/46/489861446.db2.gz UKXIAHHZDYNHFD-BQFCYCMXSA-N 2 1 354.495 0.120 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118045 489863185 /nfs/dbraw/zinc/86/31/85/489863185.db2.gz NLZVJOFKLUZVIC-RDJZCZTQSA-N 2 1 368.522 0.355 20 0 FCADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419119456 489864269 /nfs/dbraw/zinc/86/42/69/489864269.db2.gz JVYNHBATMRVRFC-SJLPKXTDSA-N 2 1 373.501 0.935 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000419123422 489867258 /nfs/dbraw/zinc/86/72/58/489867258.db2.gz VWJVOMXFSQMLDX-MRXNPFEDSA-N 2 1 354.495 0.189 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419123186 489867408 /nfs/dbraw/zinc/86/74/08/489867408.db2.gz VHSSVFDBVKMIDT-XIRDDKMYSA-N 2 1 368.522 0.435 20 0 FCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433467057 489888438 /nfs/dbraw/zinc/88/84/38/489888438.db2.gz PHWPKZLTOREUFO-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C[C@@H]1C ZINC000420047035 489892824 /nfs/dbraw/zinc/89/28/24/489892824.db2.gz VWHQYEQZHBQIIZ-XGUBFFRZSA-N 2 1 354.495 0.547 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420054963 489895460 /nfs/dbraw/zinc/89/54/60/489895460.db2.gz GBGCMYPFZFHZEO-GOSISDBHSA-N 2 1 374.485 0.583 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420054963 489895465 /nfs/dbraw/zinc/89/54/65/489895465.db2.gz GBGCMYPFZFHZEO-GOSISDBHSA-N 2 1 374.485 0.583 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420067703 489900948 /nfs/dbraw/zinc/90/09/48/489900948.db2.gz SUNITWAHYTWIPI-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069807 489902614 /nfs/dbraw/zinc/90/26/14/489902614.db2.gz WBBBYJGVCMBMPF-FGTMMUONSA-N 2 1 356.470 0.430 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069216 489902738 /nfs/dbraw/zinc/90/27/38/489902738.db2.gz VNMMYJPCABRDPI-MSOLQXFVSA-N 2 1 373.501 0.748 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420075460 489904106 /nfs/dbraw/zinc/90/41/06/489904106.db2.gz SMRVJANHNWNPQF-WBVHZDCISA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420088777 489907199 /nfs/dbraw/zinc/90/71/99/489907199.db2.gz INQARNYWRQEJAW-GASCZTMLSA-N 2 1 366.506 0.332 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088156 489907231 /nfs/dbraw/zinc/90/72/31/489907231.db2.gz HIQCOEIMJVDYFZ-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086801 489907258 /nfs/dbraw/zinc/90/72/58/489907258.db2.gz DNCIGQXZMISFIO-QGZVFWFLSA-N 2 1 373.501 0.892 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H](C)O1 ZINC000420087379 489907342 /nfs/dbraw/zinc/90/73/42/489907342.db2.gz FRCFPYLABJCILC-RBSFLKMASA-N 2 1 352.479 0.084 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000433992159 489908922 /nfs/dbraw/zinc/90/89/22/489908922.db2.gz YTUAXPHXYYUNOG-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093277 489909354 /nfs/dbraw/zinc/90/93/54/489909354.db2.gz PKKDCGMVDRUVCY-QGZVFWFLSA-N 2 1 373.501 0.892 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2C)O1 ZINC000494831915 489915563 /nfs/dbraw/zinc/91/55/63/489915563.db2.gz CMNPLNACJSNEHG-HZPDHXFCSA-N 2 1 374.445 0.177 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000377560039 489919551 /nfs/dbraw/zinc/91/95/51/489919551.db2.gz FRFKEIUQXNMOLZ-MHORFTMASA-N 2 1 352.523 0.626 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000377560039 489919555 /nfs/dbraw/zinc/91/95/55/489919555.db2.gz FRFKEIUQXNMOLZ-MHORFTMASA-N 2 1 352.523 0.626 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420133640 489924362 /nfs/dbraw/zinc/92/43/62/489924362.db2.gz ZESMVUPNYGFNDI-HUUCEWRRSA-N 2 1 354.495 0.332 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420133637 489925040 /nfs/dbraw/zinc/92/50/40/489925040.db2.gz ZESMVUPNYGFNDI-CABCVRRESA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420138764 489926756 /nfs/dbraw/zinc/92/67/56/489926756.db2.gz NNOQZRNKGLMIOI-UXLLHSPISA-N 2 1 364.490 0.123 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420138764 489926759 /nfs/dbraw/zinc/92/67/59/489926759.db2.gz NNOQZRNKGLMIOI-UXLLHSPISA-N 2 1 364.490 0.123 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000477087320 489940530 /nfs/dbraw/zinc/94/05/30/489940530.db2.gz WJHGUKDQGZFHAE-IRXDYDNUSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420179650 489942817 /nfs/dbraw/zinc/94/28/17/489942817.db2.gz VOEZCBSSESDDIO-CQSZACIVSA-N 2 1 368.428 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420179650 489942820 /nfs/dbraw/zinc/94/28/20/489942820.db2.gz VOEZCBSSESDDIO-CQSZACIVSA-N 2 1 368.428 0.820 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420179649 489942837 /nfs/dbraw/zinc/94/28/37/489942837.db2.gz VOEZCBSSESDDIO-AWEZNQCLSA-N 2 1 368.428 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420179649 489942840 /nfs/dbraw/zinc/94/28/40/489942840.db2.gz VOEZCBSSESDDIO-AWEZNQCLSA-N 2 1 368.428 0.820 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000556021850 491289945 /nfs/dbraw/zinc/28/99/45/491289945.db2.gz VVFVLZIBWLGROE-INIZCTEOSA-N 2 1 366.506 0.347 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420192317 489947338 /nfs/dbraw/zinc/94/73/38/489947338.db2.gz IBKLYLRBMPXZKM-KRWDZBQOSA-N 2 1 374.485 0.214 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420192317 489947341 /nfs/dbraw/zinc/94/73/41/489947341.db2.gz IBKLYLRBMPXZKM-KRWDZBQOSA-N 2 1 374.485 0.214 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000420204048 489950875 /nfs/dbraw/zinc/95/08/75/489950875.db2.gz OJIHJCUERBSNBS-LSDHHAIUSA-N 2 1 364.515 0.678 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420203048 489951112 /nfs/dbraw/zinc/95/11/12/489951112.db2.gz GMRUPKFJLFQILR-HZMVEIRTSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420214626 489954823 /nfs/dbraw/zinc/95/48/23/489954823.db2.gz ZPEHUBIWJDFFEH-SJLPKXTDSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000420219708 489955563 /nfs/dbraw/zinc/95/55/63/489955563.db2.gz YWNMLDNCYZHZFI-NNXHMXCWSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000420219708 489955567 /nfs/dbraw/zinc/95/55/67/489955567.db2.gz YWNMLDNCYZHZFI-NNXHMXCWSA-N 2 1 366.506 0.330 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798582 489959485 /nfs/dbraw/zinc/95/94/85/489959485.db2.gz KEBYXIOAWOOVSD-HZPDHXFCSA-N 2 1 362.522 0.795 20 0 FCADMP Cn1cc(-c2cc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)on2)cn1 ZINC000420289329 489960239 /nfs/dbraw/zinc/96/02/39/489960239.db2.gz IAWMYLKFXRYTPX-AWEZNQCLSA-N 2 1 358.446 0.719 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299639 489961545 /nfs/dbraw/zinc/96/15/45/489961545.db2.gz UEOVNXYDXQIIQU-NEPJUHHUSA-N 2 1 350.385 0.327 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345301 489965689 /nfs/dbraw/zinc/96/56/89/489965689.db2.gz ALOYISKPPJQQCR-RTBURBONSA-N 3 1 359.518 0.385 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345301 489965692 /nfs/dbraw/zinc/96/56/92/489965692.db2.gz ALOYISKPPJQQCR-RTBURBONSA-N 3 1 359.518 0.385 20 0 FCADMP CCCCN(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000420362419 489967524 /nfs/dbraw/zinc/96/75/24/489967524.db2.gz NGEIANNFAWIXFH-CABCVRRESA-N 2 1 359.536 0.780 20 0 FCADMP COC[C@H](C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000477506632 489970079 /nfs/dbraw/zinc/97/00/79/489970079.db2.gz JJTCWBKTJIGFGF-INIZCTEOSA-N 2 1 370.519 0.796 20 0 FCADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412588 489973396 /nfs/dbraw/zinc/97/33/96/489973396.db2.gz YVOMOQFNOGTNPR-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412588 489973399 /nfs/dbraw/zinc/97/33/99/489973399.db2.gz YVOMOQFNOGTNPR-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CSC1(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC[NH+](C)CC1 ZINC000462505854 489978938 /nfs/dbraw/zinc/97/89/38/489978938.db2.gz CWCGKIFYKBEJRH-HUUCEWRRSA-N 2 1 358.552 0.910 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000564190804 491292739 /nfs/dbraw/zinc/29/27/39/491292739.db2.gz UTSZPUXDTSHVIQ-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000564190804 491292740 /nfs/dbraw/zinc/29/27/40/491292740.db2.gz UTSZPUXDTSHVIQ-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000564190804 491292742 /nfs/dbraw/zinc/29/27/42/491292742.db2.gz UTSZPUXDTSHVIQ-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000564190804 491292744 /nfs/dbraw/zinc/29/27/44/491292744.db2.gz UTSZPUXDTSHVIQ-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000477629210 489980513 /nfs/dbraw/zinc/98/05/13/489980513.db2.gz XQANUGBEZQVMCF-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000477726549 489987716 /nfs/dbraw/zinc/98/77/16/489987716.db2.gz YBXOODNLCGVHNC-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000477726537 489987855 /nfs/dbraw/zinc/98/78/55/489987855.db2.gz YBXOODNLCGVHNC-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377986322 489991952 /nfs/dbraw/zinc/99/19/52/489991952.db2.gz ADFITPJOLWSISK-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377986322 489991956 /nfs/dbraw/zinc/99/19/56/489991956.db2.gz ADFITPJOLWSISK-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000478794112 490037960 /nfs/dbraw/zinc/03/79/60/490037960.db2.gz HGYZPKYFMUDJLO-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](c4nccn4C)C3)C2=O)cn1 ZINC000378283896 490039505 /nfs/dbraw/zinc/03/95/05/490039505.db2.gz PMGYKPAJCULSLJ-TZMCWYRMSA-N 2 1 355.398 0.945 20 0 FCADMP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000478823211 490039745 /nfs/dbraw/zinc/03/97/45/490039745.db2.gz LJOQHSFMEWGEHG-MRXNPFEDSA-N 2 1 361.490 0.802 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000478823211 490039751 /nfs/dbraw/zinc/03/97/51/490039751.db2.gz LJOQHSFMEWGEHG-MRXNPFEDSA-N 2 1 361.490 0.802 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378320994 490049293 /nfs/dbraw/zinc/04/92/93/490049293.db2.gz WANHQCFUNIIANJ-HXUWFJFHSA-N 2 1 371.529 0.657 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378320994 490049296 /nfs/dbraw/zinc/04/92/96/490049296.db2.gz WANHQCFUNIIANJ-HXUWFJFHSA-N 2 1 371.529 0.657 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395850 490059064 /nfs/dbraw/zinc/05/90/64/490059064.db2.gz CDHAAGVIEPABTQ-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061418 490065940 /nfs/dbraw/zinc/06/59/40/490065940.db2.gz RTKXLPRNYGUHFZ-ZDUSSCGKSA-N 2 1 354.476 0.642 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057655 490066063 /nfs/dbraw/zinc/06/60/63/490066063.db2.gz HOGDFECTHQADEB-QWHCGFSZSA-N 2 1 354.476 0.722 20 0 FCADMP COC(=O)C1=C(C)O[C@@H](CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482457 490071202 /nfs/dbraw/zinc/07/12/02/490071202.db2.gz MENMHALUHPJRLV-ZBFHGGJFSA-N 2 1 351.447 0.636 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524547 490078005 /nfs/dbraw/zinc/07/80/05/490078005.db2.gz BMCCOYGNTNIJMT-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524547 490078011 /nfs/dbraw/zinc/07/80/11/490078011.db2.gz BMCCOYGNTNIJMT-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524547 490078013 /nfs/dbraw/zinc/07/80/13/490078013.db2.gz BMCCOYGNTNIJMT-SQNIBIBYSA-N 2 1 365.522 0.129 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC000444273465 490079651 /nfs/dbraw/zinc/07/96/51/490079651.db2.gz PLXPZXRXIHWSKM-KDOFPFPSSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000519764992 490080209 /nfs/dbraw/zinc/08/02/09/490080209.db2.gz JAUFVPWNBAUGTG-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000506478368 490096782 /nfs/dbraw/zinc/09/67/82/490096782.db2.gz SFAKQOKJKCAYIS-UHFFFAOYSA-N 2 1 359.474 0.324 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000506478368 490096789 /nfs/dbraw/zinc/09/67/89/490096789.db2.gz SFAKQOKJKCAYIS-UHFFFAOYSA-N 2 1 359.474 0.324 20 0 FCADMP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000545199460 490097129 /nfs/dbraw/zinc/09/71/29/490097129.db2.gz RLEJETLAXDSLGC-CYBMUJFWSA-N 2 1 354.476 0.417 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000421724448 490100165 /nfs/dbraw/zinc/10/01/65/490100165.db2.gz BSKBLUXVTYCIDJ-PBHICJAKSA-N 2 1 356.536 0.481 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000556169748 491299967 /nfs/dbraw/zinc/29/99/67/491299967.db2.gz BURVAQKGXGUQLS-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000556169748 491299969 /nfs/dbraw/zinc/29/99/69/491299969.db2.gz BURVAQKGXGUQLS-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414221 490119762 /nfs/dbraw/zinc/11/97/62/490119762.db2.gz VRFNAQGCOOZSPU-WMZOPIPTSA-N 2 1 356.511 0.347 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000465414221 490119764 /nfs/dbraw/zinc/11/97/64/490119764.db2.gz VRFNAQGCOOZSPU-WMZOPIPTSA-N 2 1 356.511 0.347 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479766589 490124088 /nfs/dbraw/zinc/12/40/88/490124088.db2.gz QBHXJZSVKBCTPX-AHRSYUTCSA-N 2 1 372.513 0.675 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000479917559 490138259 /nfs/dbraw/zinc/13/82/59/490138259.db2.gz BPVDXMLCSARLFH-HNNXBMFYSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000446023785 490148391 /nfs/dbraw/zinc/14/83/91/490148391.db2.gz JDSACMABOYQNMD-VQIMIIECSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](CO)C1 ZINC000446023785 490148397 /nfs/dbraw/zinc/14/83/97/490148397.db2.gz JDSACMABOYQNMD-VQIMIIECSA-N 2 1 361.486 0.838 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480030204 490152164 /nfs/dbraw/zinc/15/21/64/490152164.db2.gz IFSMYNWZHXWBTH-HOTGVXAUSA-N 2 1 364.494 0.728 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927919 490152619 /nfs/dbraw/zinc/15/26/19/490152619.db2.gz GEXAJRVJUBBNBW-OAHLLOKOSA-N 2 1 367.494 0.193 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000564350912 491303046 /nfs/dbraw/zinc/30/30/46/491303046.db2.gz UPELDLDCGMHODV-JKQORVJESA-N 2 1 374.489 0.840 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000564350907 491303073 /nfs/dbraw/zinc/30/30/73/491303073.db2.gz UPELDLDCGMHODV-AIANPOQGSA-N 2 1 374.489 0.840 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947092 490155192 /nfs/dbraw/zinc/15/51/92/490155192.db2.gz HQQWTCJKDBKBFD-DLBZAZTESA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000465947092 490155202 /nfs/dbraw/zinc/15/52/02/490155202.db2.gz HQQWTCJKDBKBFD-DLBZAZTESA-N 2 1 355.527 0.280 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000465947092 490155214 /nfs/dbraw/zinc/15/52/14/490155214.db2.gz HQQWTCJKDBKBFD-DLBZAZTESA-N 2 1 355.527 0.280 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952286 490156571 /nfs/dbraw/zinc/15/65/71/490156571.db2.gz KAONDLDUBWQGNM-INIZCTEOSA-N 2 1 353.511 0.557 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422107995 490159129 /nfs/dbraw/zinc/15/91/29/490159129.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422107995 490159136 /nfs/dbraw/zinc/15/91/36/490159136.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422107995 490159143 /nfs/dbraw/zinc/15/91/43/490159143.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422107995 490159149 /nfs/dbraw/zinc/15/91/49/490159149.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422107995 490159158 /nfs/dbraw/zinc/15/91/58/490159158.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000446801194 490165233 /nfs/dbraw/zinc/16/52/33/490165233.db2.gz IKKKUQJIZHSSPI-LSDHHAIUSA-N 2 1 364.494 0.714 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012270 490166836 /nfs/dbraw/zinc/16/68/36/490166836.db2.gz UDVWRPDELLQQBF-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000520695003 490180287 /nfs/dbraw/zinc/18/02/87/490180287.db2.gz KDHAXYAFLJSWKJ-IMBTUZDBSA-N 2 1 357.539 0.481 20 0 FCADMP CCN1CCN([C@H]2CCN(C(=O)NCCOCC[NH+](CC)CC)C2)CC1 ZINC000546042060 490181972 /nfs/dbraw/zinc/18/19/72/490181972.db2.gz RKIRUUXUAJWIOE-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@H](C)C1 ZINC000497610605 490182818 /nfs/dbraw/zinc/18/28/18/490182818.db2.gz NKBKFNRKNVLKDM-OKZBNKHCSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@H](C)C1 ZINC000497610605 490182824 /nfs/dbraw/zinc/18/28/24/490182824.db2.gz NKBKFNRKNVLKDM-OKZBNKHCSA-N 2 1 370.538 0.831 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000466577750 490196227 /nfs/dbraw/zinc/19/62/27/490196227.db2.gz YXKQFOULKVCNRR-SJLPKXTDSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577750 490196232 /nfs/dbraw/zinc/19/62/32/490196232.db2.gz YXKQFOULKVCNRR-SJLPKXTDSA-N 2 1 367.538 0.158 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000466577750 490196240 /nfs/dbraw/zinc/19/62/40/490196240.db2.gz YXKQFOULKVCNRR-SJLPKXTDSA-N 2 1 367.538 0.158 20 0 FCADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000533314284 490212027 /nfs/dbraw/zinc/21/20/27/490212027.db2.gz VCVLSOQBFZEOCK-FQEVSTJZSA-N 2 1 369.469 0.706 20 0 FCADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000533314284 490212032 /nfs/dbraw/zinc/21/20/32/490212032.db2.gz VCVLSOQBFZEOCK-FQEVSTJZSA-N 2 1 369.469 0.706 20 0 FCADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000447347401 490221999 /nfs/dbraw/zinc/22/19/99/490221999.db2.gz CWBFEMPHNCRDQN-ZSYWTGECSA-N 2 1 357.539 0.889 20 0 FCADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000447347401 490222005 /nfs/dbraw/zinc/22/20/05/490222005.db2.gz CWBFEMPHNCRDQN-ZSYWTGECSA-N 2 1 357.539 0.889 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C2CCC2)C1 ZINC000521151004 490230398 /nfs/dbraw/zinc/23/03/98/490230398.db2.gz SMGDKVBSZHHSIB-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+](C2CCC2)C1 ZINC000521151004 490230403 /nfs/dbraw/zinc/23/04/03/490230403.db2.gz SMGDKVBSZHHSIB-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000521339001 490249771 /nfs/dbraw/zinc/24/97/71/490249771.db2.gz DXBWWYGKTIOUHD-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000498083503 490257787 /nfs/dbraw/zinc/25/77/87/490257787.db2.gz CCGCFLSORJMJPD-LSDHHAIUSA-N 2 1 351.520 0.789 20 0 FCADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000571521931 491312840 /nfs/dbraw/zinc/31/28/40/491312840.db2.gz FYCHUQKXBYISBX-LPHOPBHVSA-N 2 1 368.522 0.579 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)CC1 ZINC000498194693 490269311 /nfs/dbraw/zinc/26/93/11/490269311.db2.gz GIAJRBKHZABOMD-CQSZACIVSA-N 2 1 360.449 0.762 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000498217265 490274144 /nfs/dbraw/zinc/27/41/44/490274144.db2.gz RESAZEKVSRIXCL-AWEZNQCLSA-N 2 1 354.401 0.430 20 0 FCADMP C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H]1C ZINC000521591431 490278533 /nfs/dbraw/zinc/27/85/33/490278533.db2.gz WMCFDJGNHLLYBW-FVPDABNVSA-N 2 1 351.495 0.462 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000507925380 490278744 /nfs/dbraw/zinc/27/87/44/490278744.db2.gz QNTQNUKVMWUTLN-NPYXIHBLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000507925380 490278749 /nfs/dbraw/zinc/27/87/49/490278749.db2.gz QNTQNUKVMWUTLN-NPYXIHBLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000507925380 490278756 /nfs/dbraw/zinc/27/87/56/490278756.db2.gz QNTQNUKVMWUTLN-NPYXIHBLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000507925380 490278763 /nfs/dbraw/zinc/27/87/63/490278763.db2.gz QNTQNUKVMWUTLN-NPYXIHBLSA-N 2 1 350.507 0.917 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000447954357 490304954 /nfs/dbraw/zinc/30/49/54/490304954.db2.gz LFXAEDWCCBPJGL-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000447954357 490304964 /nfs/dbraw/zinc/30/49/64/490304964.db2.gz LFXAEDWCCBPJGL-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000447954357 490304967 /nfs/dbraw/zinc/30/49/67/490304967.db2.gz LFXAEDWCCBPJGL-GJZGRUSLSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000448322351 490333859 /nfs/dbraw/zinc/33/38/59/490333859.db2.gz QWLCTJJNQCZHMK-CQSZACIVSA-N 2 1 364.494 0.620 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000422458200 490333935 /nfs/dbraw/zinc/33/39/35/490333935.db2.gz VNYDIXOCOPQMDW-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1CC(C)(C)O ZINC000422458200 490333944 /nfs/dbraw/zinc/33/39/44/490333944.db2.gz VNYDIXOCOPQMDW-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000422458200 490333955 /nfs/dbraw/zinc/33/39/55/490333955.db2.gz VNYDIXOCOPQMDW-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000422458200 490333966 /nfs/dbraw/zinc/33/39/66/490333966.db2.gz VNYDIXOCOPQMDW-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000422487340 490352581 /nfs/dbraw/zinc/35/25/81/490352581.db2.gz HZEVFUZADMMPJZ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000422487340 490352589 /nfs/dbraw/zinc/35/25/89/490352589.db2.gz HZEVFUZADMMPJZ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487340 490352594 /nfs/dbraw/zinc/35/25/94/490352594.db2.gz HZEVFUZADMMPJZ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487340 490352599 /nfs/dbraw/zinc/35/25/99/490352599.db2.gz HZEVFUZADMMPJZ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000498852709 490353819 /nfs/dbraw/zinc/35/38/19/490353819.db2.gz VKUZKGOAVAFAPB-SFHVURJKSA-N 2 1 362.518 0.945 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000498852709 490353822 /nfs/dbraw/zinc/35/38/22/490353822.db2.gz VKUZKGOAVAFAPB-SFHVURJKSA-N 2 1 362.518 0.945 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000498852709 490353826 /nfs/dbraw/zinc/35/38/26/490353826.db2.gz VKUZKGOAVAFAPB-SFHVURJKSA-N 2 1 362.518 0.945 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000522265986 490362149 /nfs/dbraw/zinc/36/21/49/490362149.db2.gz MWGAZRDQEGDPLJ-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000498947326 490369004 /nfs/dbraw/zinc/36/90/04/490369004.db2.gz HHDZFQDZVRNZDN-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000498947326 490369012 /nfs/dbraw/zinc/36/90/12/490369012.db2.gz HHDZFQDZVRNZDN-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000498947326 490369019 /nfs/dbraw/zinc/36/90/19/490369019.db2.gz HHDZFQDZVRNZDN-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000498948965 490370354 /nfs/dbraw/zinc/37/03/54/490370354.db2.gz MWDIGIOZZBRZIA-UHFFFAOYSA-N 2 1 366.506 0.324 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000522763724 490402296 /nfs/dbraw/zinc/40/22/96/490402296.db2.gz QMXQPONGBGPBDG-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000522763724 490402299 /nfs/dbraw/zinc/40/22/99/490402299.db2.gz QMXQPONGBGPBDG-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571708838 491324326 /nfs/dbraw/zinc/32/43/26/491324326.db2.gz QKSBKVRFWVEUQK-OAHLLOKOSA-N 2 1 356.511 0.260 20 0 FCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C[NH3+] ZINC000422625284 490432512 /nfs/dbraw/zinc/43/25/12/490432512.db2.gz BFHNGJKLANSFMC-OWCLPIDISA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C[NH3+] ZINC000422625284 490432518 /nfs/dbraw/zinc/43/25/18/490432518.db2.gz BFHNGJKLANSFMC-OWCLPIDISA-N 2 1 362.474 0.869 20 0 FCADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000484517162 490436892 /nfs/dbraw/zinc/43/68/92/490436892.db2.gz IFNGWVWPFMQBMO-MRXNPFEDSA-N 2 1 352.548 0.854 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000509705718 490454084 /nfs/dbraw/zinc/45/40/84/490454084.db2.gz HTRVIBOKSQACOR-KRWDZBQOSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941688 490480705 /nfs/dbraw/zinc/48/07/05/490480705.db2.gz YEABOIWQMLRWIP-PWNZVWSESA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941688 490480709 /nfs/dbraw/zinc/48/07/09/490480709.db2.gz YEABOIWQMLRWIP-PWNZVWSESA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000523662557 490483097 /nfs/dbraw/zinc/48/30/97/490483097.db2.gz LCUAHOKNDUGLQI-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000523662557 490483102 /nfs/dbraw/zinc/48/31/02/490483102.db2.gz LCUAHOKNDUGLQI-SJORKVTESA-N 2 1 366.506 0.252 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422836724 490483806 /nfs/dbraw/zinc/48/38/06/490483806.db2.gz RVPNUZAMMAMLIM-HOTGVXAUSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000535430473 490489658 /nfs/dbraw/zinc/48/96/58/490489658.db2.gz ITUDDXCEGPQZHI-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000571833462 491331994 /nfs/dbraw/zinc/33/19/94/491331994.db2.gz VRWCCRMYKDDNQM-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423035748 490525780 /nfs/dbraw/zinc/52/57/80/490525780.db2.gz JXTGEHJSGJMSJE-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCn1cc[nH+]c1C ZINC000510636834 490530679 /nfs/dbraw/zinc/53/06/79/490530679.db2.gz GUTKPGOBXNWXKZ-UHFFFAOYSA-N 2 1 368.507 0.935 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000485482529 490533499 /nfs/dbraw/zinc/53/34/99/490533499.db2.gz SVAGQBYMDFHTAH-IAGOWNOFSA-N 2 1 366.506 0.081 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423065489 490533526 /nfs/dbraw/zinc/53/35/26/490533526.db2.gz BJDDFNOGLYOUPR-DLBZAZTESA-N 2 1 362.449 0.633 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000510796599 490541101 /nfs/dbraw/zinc/54/11/01/490541101.db2.gz JQABDGXHUSCVKK-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000485588020 490545970 /nfs/dbraw/zinc/54/59/70/490545970.db2.gz BJWDZVMHFJLDNC-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000485588020 490545973 /nfs/dbraw/zinc/54/59/73/490545973.db2.gz BJWDZVMHFJLDNC-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564908029 491335195 /nfs/dbraw/zinc/33/51/95/491335195.db2.gz ZOKSUJPVNUDBPD-XHSDSOJGSA-N 2 1 364.494 0.731 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000564908029 491335198 /nfs/dbraw/zinc/33/51/98/491335198.db2.gz ZOKSUJPVNUDBPD-XHSDSOJGSA-N 2 1 364.494 0.731 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H](C)O1 ZINC000564908025 491335300 /nfs/dbraw/zinc/33/53/00/491335300.db2.gz ZOKSUJPVNUDBPD-OAGGEKHMSA-N 2 1 364.494 0.731 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000485800942 490559508 /nfs/dbraw/zinc/55/95/08/490559508.db2.gz WSHARRCGDABLCO-KFWWJZLASA-N 2 1 364.494 0.820 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000564913666 491336201 /nfs/dbraw/zinc/33/62/01/491336201.db2.gz RFCZCMHOWFMBDS-HOCLYGCPSA-N 2 1 364.515 0.945 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410158 490592726 /nfs/dbraw/zinc/59/27/26/490592726.db2.gz MYOZHKNERLXMCI-GDBMZVCRSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000511410158 490592732 /nfs/dbraw/zinc/59/27/32/490592732.db2.gz MYOZHKNERLXMCI-GDBMZVCRSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000511410158 490592736 /nfs/dbraw/zinc/59/27/36/490592736.db2.gz MYOZHKNERLXMCI-GDBMZVCRSA-N 2 1 351.495 0.523 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1=O ZINC000549720722 490596382 /nfs/dbraw/zinc/59/63/82/490596382.db2.gz PFTDNCGSHVCOJQ-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)CC2(C)C)CC1=O ZINC000501341236 490597675 /nfs/dbraw/zinc/59/76/75/490597675.db2.gz OSGZQTUBEWMONP-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228738 490599050 /nfs/dbraw/zinc/59/90/50/490599050.db2.gz KAFRCAFVAQSWRX-WBVHZDCISA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228738 490599052 /nfs/dbraw/zinc/59/90/52/490599052.db2.gz KAFRCAFVAQSWRX-WBVHZDCISA-N 2 1 350.507 0.587 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589250 490619631 /nfs/dbraw/zinc/61/96/31/490619631.db2.gz ODWZRGRNOLICRE-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486442067 490626169 /nfs/dbraw/zinc/62/61/69/490626169.db2.gz NNXDCUBADISKSU-NCOADZHNSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486442070 490627073 /nfs/dbraw/zinc/62/70/73/490627073.db2.gz NNXDCUBADISKSU-ZYGGUILKSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486442070 490627078 /nfs/dbraw/zinc/62/70/78/490627078.db2.gz NNXDCUBADISKSU-ZYGGUILKSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486442070 490627082 /nfs/dbraw/zinc/62/70/82/490627082.db2.gz NNXDCUBADISKSU-ZYGGUILKSA-N 2 1 350.507 0.443 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c2ccccc2)CC1 ZINC000556852378 491341189 /nfs/dbraw/zinc/34/11/89/491341189.db2.gz AQADDZZIWGWDQG-TZIWHRDSSA-N 2 1 372.513 0.548 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000486461226 490632862 /nfs/dbraw/zinc/63/28/62/490632862.db2.gz ANQVBKUVWVYTKW-IAGOWNOFSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461226 490632867 /nfs/dbraw/zinc/63/28/67/490632867.db2.gz ANQVBKUVWVYTKW-IAGOWNOFSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461226 490632876 /nfs/dbraw/zinc/63/28/76/490632876.db2.gz ANQVBKUVWVYTKW-IAGOWNOFSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000486475791 490636407 /nfs/dbraw/zinc/63/64/07/490636407.db2.gz BEQSEQRTOAFOTR-HOTGVXAUSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000486475791 490636414 /nfs/dbraw/zinc/63/64/14/490636414.db2.gz BEQSEQRTOAFOTR-HOTGVXAUSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000486475791 490636420 /nfs/dbraw/zinc/63/64/20/490636420.db2.gz BEQSEQRTOAFOTR-HOTGVXAUSA-N 2 1 353.511 0.555 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000512018720 490652061 /nfs/dbraw/zinc/65/20/61/490652061.db2.gz PXDQBVGSZSUHCT-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCCO1 ZINC000550324578 490660936 /nfs/dbraw/zinc/66/09/36/490660936.db2.gz WPODIKSGMPTWPG-HNNXBMFYSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000501980257 490663063 /nfs/dbraw/zinc/66/30/63/490663063.db2.gz VMBXQCAWYJWTCV-XHQGZTBTSA-N 2 1 368.566 0.316 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2)C1 ZINC000572027071 491343950 /nfs/dbraw/zinc/34/39/50/491343950.db2.gz XCEHQFYMKZAOAF-UEXGIBASSA-N 2 1 370.497 0.884 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486817832 490674003 /nfs/dbraw/zinc/67/40/03/490674003.db2.gz ICOADIYTCKXIEZ-BJBWBFMVSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000564993781 491345005 /nfs/dbraw/zinc/34/50/05/491345005.db2.gz UTVCTSLDWNYDTR-WBVHZDCISA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000564993778 491345054 /nfs/dbraw/zinc/34/50/54/491345054.db2.gz UTVCTSLDWNYDTR-DOTOQJQBSA-N 2 1 366.506 0.062 20 0 FCADMP CC[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572055766 491346002 /nfs/dbraw/zinc/34/60/02/491346002.db2.gz LXUZFPYWMRIOMY-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[NH+]1CCC([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000537959284 490703754 /nfs/dbraw/zinc/70/37/54/490703754.db2.gz AIMPJYHPWJHLEC-UHFFFAOYSA-N 2 1 371.503 0.586 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044915 490706435 /nfs/dbraw/zinc/70/64/35/490706435.db2.gz LNSDWSYXWUTVCA-HZSPNIEDSA-N 2 1 356.467 0.160 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044915 490706439 /nfs/dbraw/zinc/70/64/39/490706439.db2.gz LNSDWSYXWUTVCA-HZSPNIEDSA-N 2 1 356.467 0.160 20 0 FCADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557001289 491348480 /nfs/dbraw/zinc/34/84/80/491348480.db2.gz QALDCEFKFBLKKU-CQSZACIVSA-N 2 1 364.515 0.991 20 0 FCADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000502557093 490709724 /nfs/dbraw/zinc/70/97/24/490709724.db2.gz RDSIEJZLHQDUBQ-OALUTQOASA-N 2 1 374.533 0.914 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)CC23CCCCC3)CC1=O ZINC000487499873 490715291 /nfs/dbraw/zinc/71/52/91/490715291.db2.gz MQXDUMPZZRGXOL-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CCCn1c(N)c(C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(=O)[nH]c1=O ZINC000572112791 491349226 /nfs/dbraw/zinc/34/92/26/491349226.db2.gz BJVQOZPLAGZZHF-GFCCVEGCSA-N 2 1 363.462 0.588 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000502795966 490721783 /nfs/dbraw/zinc/72/17/83/490721783.db2.gz NAOMEEQSVVCDQL-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000502795966 490721785 /nfs/dbraw/zinc/72/17/85/490721785.db2.gz NAOMEEQSVVCDQL-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469514 490732178 /nfs/dbraw/zinc/73/21/78/490732178.db2.gz PYBCPOYWUYROSK-GJZGRUSLSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469514 490732181 /nfs/dbraw/zinc/73/21/81/490732181.db2.gz PYBCPOYWUYROSK-GJZGRUSLSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513492860 490734840 /nfs/dbraw/zinc/73/48/40/490734840.db2.gz OWVXXWJNUBRKFV-XHSDSOJGSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513492859 490734977 /nfs/dbraw/zinc/73/49/77/490734977.db2.gz OWVXXWJNUBRKFV-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000503295680 490750146 /nfs/dbraw/zinc/75/01/46/490750146.db2.gz HCWSMOWSZFPPCR-IRXDYDNUSA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000503295680 490750149 /nfs/dbraw/zinc/75/01/49/490750149.db2.gz HCWSMOWSZFPPCR-IRXDYDNUSA-N 2 1 365.522 0.903 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000527768826 490758583 /nfs/dbraw/zinc/75/85/83/490758583.db2.gz SVHDQQGQLVLNQT-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000503633434 490768331 /nfs/dbraw/zinc/76/83/31/490768331.db2.gz DMJVRYHEIRDHFF-MKXGPGLRSA-N 2 1 354.539 0.168 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122226 491354420 /nfs/dbraw/zinc/35/44/20/491354420.db2.gz QHTCZRRSNWNZEH-XHSDSOJGSA-N 2 1 350.507 0.964 20 0 FCADMP COC(=O)CCN1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320955 490776404 /nfs/dbraw/zinc/77/64/04/490776404.db2.gz XCMXTTJPYVUTOM-MWDXBVQZSA-N 2 1 357.495 0.026 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000540244151 490811126 /nfs/dbraw/zinc/81/11/26/490811126.db2.gz KNCXNVAUWVXKRN-GJZGRUSLSA-N 2 1 368.478 0.128 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000565168092 491357603 /nfs/dbraw/zinc/35/76/03/491357603.db2.gz BJXKHXFMKHKROB-MRXNPFEDSA-N 2 1 352.523 0.772 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000515354172 490821883 /nfs/dbraw/zinc/82/18/83/490821883.db2.gz SGFNMXISGGJCKU-HOTGVXAUSA-N 2 1 370.538 0.839 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838364 490841922 /nfs/dbraw/zinc/84/19/22/490841922.db2.gz KGQUOHFKTOUCNG-HNNXBMFYSA-N 2 1 352.479 0.400 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000557245887 491361797 /nfs/dbraw/zinc/36/17/97/491361797.db2.gz GLVRZIUCEQESQB-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000557245887 491361801 /nfs/dbraw/zinc/36/18/01/491361801.db2.gz GLVRZIUCEQESQB-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000516182970 490855259 /nfs/dbraw/zinc/85/52/59/490855259.db2.gz BYJOHSMHRUKTGM-OAHLLOKOSA-N 2 1 354.520 0.490 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000557245889 491361989 /nfs/dbraw/zinc/36/19/89/491361989.db2.gz GLVRZIUCEQESQB-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000557245889 491361991 /nfs/dbraw/zinc/36/19/91/491361991.db2.gz GLVRZIUCEQESQB-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000516260828 490858786 /nfs/dbraw/zinc/85/87/86/490858786.db2.gz DEMVJALUDYXIFT-QGZVFWFLSA-N 2 1 359.474 0.611 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000516591854 490869616 /nfs/dbraw/zinc/86/96/16/490869616.db2.gz BLRBMMXFHONBHK-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760114 490876636 /nfs/dbraw/zinc/87/66/36/490876636.db2.gz WAAMYEIKWWKMAJ-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1noc(C2(C)CC[NH+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)n1 ZINC000541896599 490876969 /nfs/dbraw/zinc/87/69/69/490876969.db2.gz SGQTXRFKVOLMRE-AWEZNQCLSA-N 2 1 363.462 0.811 20 0 FCADMP CN(C)C(=O)CC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000541896576 490877165 /nfs/dbraw/zinc/87/71/65/490877165.db2.gz NCPRMEGEGNODFT-OAHLLOKOSA-N 2 1 352.479 0.256 20 0 FCADMP CCCNC(=O)CN(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000572261738 491359235 /nfs/dbraw/zinc/35/92/35/491359235.db2.gz DSBSBWHBCUALNK-SJPCQFCGSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557206247 491359784 /nfs/dbraw/zinc/35/97/84/491359784.db2.gz QQDDWKZWVFMSPH-IAGOWNOFSA-N 2 1 373.501 0.723 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000542607726 490902069 /nfs/dbraw/zinc/90/20/69/490902069.db2.gz MAGFZMREMVKLIA-ZWKOTPCHSA-N 2 1 353.555 0.497 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000542607726 490902071 /nfs/dbraw/zinc/90/20/71/490902071.db2.gz MAGFZMREMVKLIA-ZWKOTPCHSA-N 3 1 353.555 0.497 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000542607726 490902072 /nfs/dbraw/zinc/90/20/72/490902072.db2.gz MAGFZMREMVKLIA-ZWKOTPCHSA-N 3 1 353.555 0.497 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542659334 490903490 /nfs/dbraw/zinc/90/34/90/490903490.db2.gz KUYKKYXMWSWVTA-KURKYZTESA-N 2 1 354.539 0.876 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542659334 490903493 /nfs/dbraw/zinc/90/34/93/490903493.db2.gz KUYKKYXMWSWVTA-KURKYZTESA-N 2 1 354.539 0.876 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000530422738 490905061 /nfs/dbraw/zinc/90/50/61/490905061.db2.gz YXIKQYCGSRJPOE-UHFFFAOYSA-N 2 1 368.522 0.502 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000572346802 491363630 /nfs/dbraw/zinc/36/36/30/491363630.db2.gz SOJSTBKSXSHSGW-OWCLPIDISA-N 2 1 363.531 0.897 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000517562160 490911930 /nfs/dbraw/zinc/91/19/30/490911930.db2.gz MRLITXDKRLAZCT-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000517650807 490915402 /nfs/dbraw/zinc/91/54/02/490915402.db2.gz HDVKWHMDJPPCSU-UHFFFAOYSA-N 2 1 367.413 0.282 20 0 FCADMP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530679683 490919143 /nfs/dbraw/zinc/91/91/43/490919143.db2.gz YEVJJIIQHQDLND-TZIWHRDSSA-N 2 1 373.497 0.804 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000517918514 490924379 /nfs/dbraw/zinc/92/43/79/490924379.db2.gz VBJDCIXAHGSBFE-WBVHZDCISA-N 2 1 350.507 0.907 20 0 FCADMP COCC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530809468 490925926 /nfs/dbraw/zinc/92/59/26/490925926.db2.gz CFYKKUSDBGDPTF-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000518685436 490948554 /nfs/dbraw/zinc/94/85/54/490948554.db2.gz LTJIMSGHPLGYDA-MAUKXSAKSA-N 2 1 356.511 0.489 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000518685436 490948556 /nfs/dbraw/zinc/94/85/56/490948556.db2.gz LTJIMSGHPLGYDA-MAUKXSAKSA-N 2 1 356.511 0.489 20 0 FCADMP CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000518979214 490957591 /nfs/dbraw/zinc/95/75/91/490957591.db2.gz CHMZPYYTBJNTKZ-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000531484057 490960414 /nfs/dbraw/zinc/96/04/14/490960414.db2.gz ZCUHRDGRAOWGIN-GDBMZVCRSA-N 2 1 365.522 0.854 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000519352167 490969694 /nfs/dbraw/zinc/96/96/94/490969694.db2.gz UOKPHDVLQKNZOV-MRXNPFEDSA-N 2 1 351.495 0.500 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C(=O)NCC[C@@H]3C)CC2)CC1 ZINC000519649375 490982031 /nfs/dbraw/zinc/98/20/31/490982031.db2.gz MMINNEWLGCLBAM-WMLDXEAASA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000519690220 490984151 /nfs/dbraw/zinc/98/41/51/490984151.db2.gz AVUADEVVECMXKM-YLFCFFPRSA-N 2 1 354.495 0.778 20 0 FCADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000519690198 490984312 /nfs/dbraw/zinc/98/43/12/490984312.db2.gz AVUADEVVECMXKM-HZMVEIRTSA-N 2 1 354.495 0.778 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCC(=O)Nc3ccccn3)cn2)CC1 ZINC000532393556 490992156 /nfs/dbraw/zinc/99/21/56/490992156.db2.gz MVKGAXXOXVMGLV-UHFFFAOYSA-N 2 1 355.446 0.742 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000553956622 491166341 /nfs/dbraw/zinc/16/63/41/491166341.db2.gz KLFQDZXNIRPZKB-CABCVRRESA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000562662290 491179495 /nfs/dbraw/zinc/17/94/95/491179495.db2.gz JECKHGMEPVXYBI-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000562773119 491188435 /nfs/dbraw/zinc/18/84/35/491188435.db2.gz HZXZAFLXQGXVDZ-INIZCTEOSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000562773119 491188439 /nfs/dbraw/zinc/18/84/39/491188439.db2.gz HZXZAFLXQGXVDZ-INIZCTEOSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000562773119 491188441 /nfs/dbraw/zinc/18/84/41/491188441.db2.gz HZXZAFLXQGXVDZ-INIZCTEOSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000557381369 491371642 /nfs/dbraw/zinc/37/16/42/491371642.db2.gz OTSYMPBVYKBRNW-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000572484797 491373316 /nfs/dbraw/zinc/37/33/16/491373316.db2.gz UMQNUOFNPVMGOO-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000572484797 491373318 /nfs/dbraw/zinc/37/33/18/491373318.db2.gz UMQNUOFNPVMGOO-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000565423114 491375290 /nfs/dbraw/zinc/37/52/90/491375290.db2.gz UEXULBFMQPHJMN-MRXNPFEDSA-N 2 1 354.495 0.047 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000557501890 491379146 /nfs/dbraw/zinc/37/91/46/491379146.db2.gz VPCHSWCLOCCQIX-ZBFHGGJFSA-N 2 1 354.495 0.202 20 0 FCADMP COc1ccc(CCNC(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000572613978 491381491 /nfs/dbraw/zinc/38/14/91/491381491.db2.gz SRDBGZFZTUDXHY-UHFFFAOYSA-N 2 1 373.457 0.908 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000557561600 491382830 /nfs/dbraw/zinc/38/28/30/491382830.db2.gz OHMDCVSBUPEYAC-LSDHHAIUSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000557572018 491384061 /nfs/dbraw/zinc/38/40/61/491384061.db2.gz KGEVFLHMUAKFGR-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000572667407 491385465 /nfs/dbraw/zinc/38/54/65/491385465.db2.gz WVMVIYDYOFIUBM-DYVFJYSZSA-N 2 1 354.520 0.307 20 0 FCADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC000673514468 493338916 /nfs/dbraw/zinc/33/89/16/493338916.db2.gz GZXSEUYZSHDOSO-VQTJNVASSA-N 2 1 372.513 0.715 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000572726119 491389235 /nfs/dbraw/zinc/38/92/35/491389235.db2.gz KJTJYHIFKVHXAJ-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+]C[C@@H]1CCC[C@H]1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000565651431 491390939 /nfs/dbraw/zinc/39/09/39/491390939.db2.gz DIVXTTRFNNFYEO-JKSUJKDBSA-N 3 1 367.519 0.250 20 0 FCADMP O=C1CCc2cc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]3CCCC3)ccc2N1 ZINC000572841738 491396818 /nfs/dbraw/zinc/39/68/18/491396818.db2.gz ARUBYBQPTVZTJJ-HOTGVXAUSA-N 2 1 363.458 0.357 20 0 FCADMP Cc1nc(COc2ccc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2)no1 ZINC000573021554 491408108 /nfs/dbraw/zinc/40/81/08/491408108.db2.gz CVACXWIKMAUHOJ-ZBFHGGJFSA-N 2 1 357.414 0.701 20 0 FCADMP Cc1nc(COc2ccc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2)no1 ZINC000573021554 491408110 /nfs/dbraw/zinc/40/81/10/491408110.db2.gz CVACXWIKMAUHOJ-ZBFHGGJFSA-N 2 1 357.414 0.701 20 0 FCADMP C[C@H](C(=O)N(CCn1ccnc1)Cc1cnn(C)c1)N1CC[NH+](C)CC1 ZINC000558042383 491410193 /nfs/dbraw/zinc/41/01/93/491410193.db2.gz OXNBRAJHPXFKGH-MRXNPFEDSA-N 2 1 359.478 0.281 20 0 FCADMP CCOC(=O)c1ccc(N2CCC[N@@H+](CCN3CC[NH2+]CC3)CC2)nc1 ZINC000566010338 491412290 /nfs/dbraw/zinc/41/22/90/491412290.db2.gz LOQINTTVMSLLML-UHFFFAOYSA-N 2 1 361.490 0.676 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000573099481 491412437 /nfs/dbraw/zinc/41/24/37/491412437.db2.gz SQBNJKYEYDZKEZ-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000566066047 491415216 /nfs/dbraw/zinc/41/52/16/491415216.db2.gz XZBFZCQSLARPJB-MRXNPFEDSA-N 2 1 364.515 0.693 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573202217 491418992 /nfs/dbraw/zinc/41/89/92/491418992.db2.gz QPDPZIXNKQRXOB-MSOLQXFVSA-N 2 1 358.486 0.932 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000558210477 491419967 /nfs/dbraw/zinc/41/99/67/491419967.db2.gz TUTVDLWOYNRMAL-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000573249847 491422586 /nfs/dbraw/zinc/42/25/86/491422586.db2.gz HHSPURSXJOPOLF-ZDUSSCGKSA-N 2 1 365.478 0.029 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)n(C)c1=O ZINC000573249847 491422588 /nfs/dbraw/zinc/42/25/88/491422588.db2.gz HHSPURSXJOPOLF-ZDUSSCGKSA-N 2 1 365.478 0.029 20 0 FCADMP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566244179 491430036 /nfs/dbraw/zinc/43/00/36/491430036.db2.gz DGFVSIMQVFPODD-CABCVRRESA-N 2 1 357.520 0.391 20 0 FCADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000566244179 491430039 /nfs/dbraw/zinc/43/00/39/491430039.db2.gz DGFVSIMQVFPODD-CABCVRRESA-N 2 1 357.520 0.391 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000573429826 491432684 /nfs/dbraw/zinc/43/26/84/491432684.db2.gz GQYRYCKYONOZSU-RHJCGQNESA-N 2 1 350.507 0.665 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@@H](C)O1 ZINC000558548951 491435472 /nfs/dbraw/zinc/43/54/72/491435472.db2.gz FPAYMZMXIPSMQW-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660330715 493343637 /nfs/dbraw/zinc/34/36/37/493343637.db2.gz ULUHPOBIXNUZOO-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000566511921 491450565 /nfs/dbraw/zinc/45/05/65/491450565.db2.gz DKZWAURCUGSQRY-IBGZPJMESA-N 2 1 370.497 0.798 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000573831445 491457969 /nfs/dbraw/zinc/45/79/69/491457969.db2.gz IBNGFQSAKZAKCH-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000573831445 491457971 /nfs/dbraw/zinc/45/79/71/491457971.db2.gz IBNGFQSAKZAKCH-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000573831445 491457972 /nfs/dbraw/zinc/45/79/72/491457972.db2.gz IBNGFQSAKZAKCH-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000559363410 491467432 /nfs/dbraw/zinc/46/74/32/491467432.db2.gz KGGRSAVGCHYYKD-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000566807980 491468216 /nfs/dbraw/zinc/46/82/16/491468216.db2.gz XEQQFEPGANAGRK-AESZEHBQSA-N 2 1 374.489 0.840 20 0 FCADMP COC[C@@]1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000566852659 491470943 /nfs/dbraw/zinc/47/09/43/491470943.db2.gz KTYCYXBNUJDTCR-HXUWFJFHSA-N 2 1 374.485 0.568 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559440178 491473242 /nfs/dbraw/zinc/47/32/42/491473242.db2.gz OJYHUAOGZRAGEQ-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000574107558 491474861 /nfs/dbraw/zinc/47/48/61/491474861.db2.gz IPLROLIJSKMEGC-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000574107558 491474863 /nfs/dbraw/zinc/47/48/63/491474863.db2.gz IPLROLIJSKMEGC-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000574107558 491474865 /nfs/dbraw/zinc/47/48/65/491474865.db2.gz IPLROLIJSKMEGC-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567062555 491483682 /nfs/dbraw/zinc/48/36/82/491483682.db2.gz ANNWHVVVOIUAOY-MSOLQXFVSA-N 2 1 373.501 0.980 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000567194296 491491845 /nfs/dbraw/zinc/49/18/45/491491845.db2.gz RQKKACOBIYYQEQ-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000559759415 491496300 /nfs/dbraw/zinc/49/63/00/491496300.db2.gz HWTKQGXOTZVBAU-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000559761270 491496974 /nfs/dbraw/zinc/49/69/74/491496974.db2.gz AFGBVJYNQXHDQD-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000559761270 491496975 /nfs/dbraw/zinc/49/69/75/491496975.db2.gz AFGBVJYNQXHDQD-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)NCCOC)CC2)CC1 ZINC000567364289 491502157 /nfs/dbraw/zinc/50/21/57/491502157.db2.gz FLEUJHZQSBVRFJ-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000559834677 491503664 /nfs/dbraw/zinc/50/36/64/491503664.db2.gz WMJOVSKXVCIVBR-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000559834677 491503665 /nfs/dbraw/zinc/50/36/65/491503665.db2.gz WMJOVSKXVCIVBR-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000559834677 491503666 /nfs/dbraw/zinc/50/36/66/491503666.db2.gz WMJOVSKXVCIVBR-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560024461 491516252 /nfs/dbraw/zinc/51/62/52/491516252.db2.gz LNUIIMQGYITMHB-IAGOWNOFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCC(C)CC1 ZINC000560027503 491516805 /nfs/dbraw/zinc/51/68/05/491516805.db2.gz HLSVQNJPDSFNIF-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583403 493348511 /nfs/dbraw/zinc/34/85/11/493348511.db2.gz LDVDVPTZSDSFGR-IAGOWNOFSA-N 2 1 368.522 0.329 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000683378251 493348483 /nfs/dbraw/zinc/34/84/83/493348483.db2.gz JXOIURGPULZEND-MSOLQXFVSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000683378251 493348487 /nfs/dbraw/zinc/34/84/87/493348487.db2.gz JXOIURGPULZEND-MSOLQXFVSA-N 2 1 368.522 0.994 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000574919368 491528145 /nfs/dbraw/zinc/52/81/45/491528145.db2.gz YEZLFBYGKDDIBW-UZLBHIALSA-N 2 1 372.469 0.716 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000560300859 491529761 /nfs/dbraw/zinc/52/97/61/491529761.db2.gz VKKZYUGBWLPWNE-SJLPKXTDSA-N 2 1 360.502 0.828 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000567901887 491539896 /nfs/dbraw/zinc/53/98/96/491539896.db2.gz VEFIAGRPGFSVHS-SJORKVTESA-N 2 1 366.506 0.206 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000567910338 491540765 /nfs/dbraw/zinc/54/07/65/491540765.db2.gz PEQFGMXUPGCHHN-RDJZCZTQSA-N 2 1 368.522 0.437 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000567928242 491542178 /nfs/dbraw/zinc/54/21/78/491542178.db2.gz JLACXLJWSDZFPR-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596237 491546608 /nfs/dbraw/zinc/54/66/08/491546608.db2.gz LRTVFGLTRCEACS-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CC2 ZINC000568038670 491549578 /nfs/dbraw/zinc/54/95/78/491549578.db2.gz IBLGUIKOXBSCQK-XYTVBORESA-N 2 1 373.501 0.954 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CC2 ZINC000568038670 491549580 /nfs/dbraw/zinc/54/95/80/491549580.db2.gz IBLGUIKOXBSCQK-XYTVBORESA-N 2 1 373.501 0.954 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@](C)(O)C(=O)OC)CC2)CC1 ZINC000568209162 491559388 /nfs/dbraw/zinc/55/93/88/491559388.db2.gz PJLKHKHKZRTIGH-GOSISDBHSA-N 2 1 355.479 0.223 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887746 491562714 /nfs/dbraw/zinc/56/27/14/491562714.db2.gz WODDRTDRMVPGRF-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887746 491562716 /nfs/dbraw/zinc/56/27/16/491562716.db2.gz WODDRTDRMVPGRF-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000575890568 491568252 /nfs/dbraw/zinc/56/82/52/491568252.db2.gz XOGJRLFKNCQUJN-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000575890568 491568253 /nfs/dbraw/zinc/56/82/53/491568253.db2.gz XOGJRLFKNCQUJN-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000575902762 491569072 /nfs/dbraw/zinc/56/90/72/491569072.db2.gz XNFOGCLDJMDKDJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000568373625 491572378 /nfs/dbraw/zinc/57/23/78/491572378.db2.gz PTEYFIGJBJIKJW-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP COC[C@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000575985680 491574016 /nfs/dbraw/zinc/57/40/16/491574016.db2.gz XTNCYHHFNGTWEY-FQEVSTJZSA-N 2 1 360.502 0.893 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000561122412 491576660 /nfs/dbraw/zinc/57/66/60/491576660.db2.gz BGJOVIGDYHWRFY-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000577035472 491582837 /nfs/dbraw/zinc/58/28/37/491582837.db2.gz KJWHIUVODBLBLJ-MRXNPFEDSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH2+]CCCNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000561206987 491583485 /nfs/dbraw/zinc/58/34/85/491583485.db2.gz NISWYEAFIFERKE-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000568565943 491586858 /nfs/dbraw/zinc/58/68/58/491586858.db2.gz ZQJHLPKGMIYYME-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584411768 491589037 /nfs/dbraw/zinc/58/90/37/491589037.db2.gz QLYNFHMCRMQHHO-GUYJKWIASA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584411768 491589041 /nfs/dbraw/zinc/58/90/41/491589041.db2.gz QLYNFHMCRMQHHO-GUYJKWIASA-N 2 1 366.487 0.720 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000568608989 491591605 /nfs/dbraw/zinc/59/16/05/491591605.db2.gz RAQMIIRAPUOWNW-GDBMZVCRSA-N 2 1 351.495 0.500 20 0 FCADMP [NH3+]CCCn1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)nn1 ZINC000577175087 491598069 /nfs/dbraw/zinc/59/80/69/491598069.db2.gz DNLLXLIJGUXXNL-UHFFFAOYSA-N 2 1 358.446 0.754 20 0 FCADMP CO[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000584532649 491601398 /nfs/dbraw/zinc/60/13/98/491601398.db2.gz AHHZPZVERSGMDJ-OALUTQOASA-N 2 1 360.502 0.769 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673662169 493354706 /nfs/dbraw/zinc/35/47/06/493354706.db2.gz MMMGKPLOLDQRQT-SFHLNBCPSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673662169 493354709 /nfs/dbraw/zinc/35/47/09/493354709.db2.gz MMMGKPLOLDQRQT-SFHLNBCPSA-N 2 1 373.497 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000577371057 491615916 /nfs/dbraw/zinc/61/59/16/491615916.db2.gz KFZUBZKTVMQNRN-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000577371057 491615919 /nfs/dbraw/zinc/61/59/19/491615919.db2.gz KFZUBZKTVMQNRN-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1Cl ZINC000576492975 491619233 /nfs/dbraw/zinc/61/92/33/491619233.db2.gz DKQVCAJYKCSAPN-HNNXBMFYSA-N 2 1 352.866 0.927 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000577410634 491620688 /nfs/dbraw/zinc/62/06/88/491620688.db2.gz DDEOVJWVNASZQG-ROUUACIJSA-N 2 1 367.534 0.944 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000561603641 491620973 /nfs/dbraw/zinc/62/09/73/491620973.db2.gz FWSCAGAVNLBGNE-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000576531157 491622701 /nfs/dbraw/zinc/62/27/01/491622701.db2.gz UIJQQVXQXUGVON-GFCCVEGCSA-N 2 1 361.450 0.019 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000577471585 491624240 /nfs/dbraw/zinc/62/42/40/491624240.db2.gz HWZMFRHIIBIQKA-HOCLYGCPSA-N 2 1 364.490 0.871 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000568985141 491624359 /nfs/dbraw/zinc/62/43/59/491624359.db2.gz AUBYZFADSAAIQM-HNNXBMFYSA-N 2 1 368.503 0.054 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000569049136 491630021 /nfs/dbraw/zinc/63/00/21/491630021.db2.gz YDXYKDCLFMDDNT-SJORKVTESA-N 2 1 366.506 0.081 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000577540767 491631577 /nfs/dbraw/zinc/63/15/77/491631577.db2.gz NZBBQDVEHJUOBO-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000577608643 491635591 /nfs/dbraw/zinc/63/55/91/491635591.db2.gz QHVZNVNEMATGMY-UONOGXRCSA-N 2 1 367.519 0.006 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000577608642 491635897 /nfs/dbraw/zinc/63/58/97/491635897.db2.gz QHVZNVNEMATGMY-KGLIPLIRSA-N 2 1 367.519 0.006 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000576754410 491642298 /nfs/dbraw/zinc/64/22/98/491642298.db2.gz PELMSINCBCTUJF-AEFFLSMTSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000577720754 491645016 /nfs/dbraw/zinc/64/50/16/491645016.db2.gz KBHSNIBKIQMNQF-UHFFFAOYSA-N 2 1 359.474 0.830 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000577740742 491648119 /nfs/dbraw/zinc/64/81/19/491648119.db2.gz QIOZZMDEGFMDRB-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP CN1C[C@@H]([NH+](C)CCOCC[N@H+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886625 491654598 /nfs/dbraw/zinc/65/45/98/491654598.db2.gz ZLSHKHGDALONDQ-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000577832735 491655216 /nfs/dbraw/zinc/65/52/16/491655216.db2.gz FKZYJJQCQAOUJP-KRWDZBQOSA-N 2 1 363.510 0.024 20 0 FCADMP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000577832735 491655217 /nfs/dbraw/zinc/65/52/17/491655217.db2.gz FKZYJJQCQAOUJP-KRWDZBQOSA-N 2 1 363.510 0.024 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576901634 491655296 /nfs/dbraw/zinc/65/52/96/491655296.db2.gz ZUMMMIPVPIAUBG-INIZCTEOSA-N 2 1 356.511 0.404 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000576966440 491661214 /nfs/dbraw/zinc/66/12/14/491661214.db2.gz BWSPPWIKKSUQPZ-JQHSSLGASA-N 2 1 374.485 0.212 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000576966440 491661215 /nfs/dbraw/zinc/66/12/15/491661215.db2.gz BWSPPWIKKSUQPZ-JQHSSLGASA-N 2 1 374.485 0.212 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569472137 491664681 /nfs/dbraw/zinc/66/46/81/491664681.db2.gz GNSUTALWUFPLPN-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217245 491672288 /nfs/dbraw/zinc/67/22/88/491672288.db2.gz LFCGQMGOOXVPRZ-PKOBYXMFSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@@](O)(CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217245 491672289 /nfs/dbraw/zinc/67/22/89/491672289.db2.gz LFCGQMGOOXVPRZ-PKOBYXMFSA-N 2 1 353.507 0.983 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578324698 491674633 /nfs/dbraw/zinc/67/46/33/491674633.db2.gz SMOVPBOCFCQJRC-HFTRVMKXSA-N 2 1 374.485 0.802 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000578340910 491675188 /nfs/dbraw/zinc/67/51/88/491675188.db2.gz NBQHIVNKHYYAEG-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000578340910 491675189 /nfs/dbraw/zinc/67/51/89/491675189.db2.gz NBQHIVNKHYYAEG-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579124385 491691560 /nfs/dbraw/zinc/69/15/60/491691560.db2.gz JOIUTGDDLULXSI-SFHVURJKSA-N 2 1 358.486 0.741 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000579225616 491693380 /nfs/dbraw/zinc/69/33/80/491693380.db2.gz WAGOAGZPMVTNHC-RBUKOAKNSA-N 2 1 370.497 0.931 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000579257674 491694276 /nfs/dbraw/zinc/69/42/76/491694276.db2.gz GYNPDJDOMORWFJ-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579260373 491694322 /nfs/dbraw/zinc/69/43/22/491694322.db2.gz RDUADCNEFIUJNT-SFHVURJKSA-N 2 1 360.502 0.878 20 0 FCADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCNC1=O ZINC000579858185 491707157 /nfs/dbraw/zinc/70/71/57/491707157.db2.gz SVXRYJKBVDEHOT-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCOc1cnccc1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000584562808 491707715 /nfs/dbraw/zinc/70/77/15/491707715.db2.gz AUJALGZFGRYAOH-UHFFFAOYSA-N 2 1 365.478 0.544 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000579933617 491709828 /nfs/dbraw/zinc/70/98/28/491709828.db2.gz LATBSZAEMYZKAT-MRXNPFEDSA-N 2 1 360.458 0.426 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCCCC1 ZINC000580006181 491713345 /nfs/dbraw/zinc/71/33/45/491713345.db2.gz OOODIOQGGBMAOA-HOTGVXAUSA-N 2 1 350.507 0.991 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000580085029 491716764 /nfs/dbraw/zinc/71/67/64/491716764.db2.gz KLKTYRUDHHTFTG-GASCZTMLSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000580085029 491716765 /nfs/dbraw/zinc/71/67/65/491716765.db2.gz KLKTYRUDHHTFTG-GASCZTMLSA-N 2 1 368.522 0.578 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000580541698 491735368 /nfs/dbraw/zinc/73/53/68/491735368.db2.gz UKLRVOYFSNEGDE-CALCHBBNSA-N 2 1 356.470 0.527 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000580760147 491744500 /nfs/dbraw/zinc/74/45/00/491744500.db2.gz FEJNYQOSYKOZJU-GOSISDBHSA-N 2 1 360.502 0.782 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000580760147 491744502 /nfs/dbraw/zinc/74/45/02/491744502.db2.gz FEJNYQOSYKOZJU-GOSISDBHSA-N 2 1 360.502 0.782 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH+](CCc2cccs2)CC1 ZINC000580882992 491750034 /nfs/dbraw/zinc/75/00/34/491750034.db2.gz YFLKPRSAFHZMHV-OAHLLOKOSA-N 2 1 352.504 0.996 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083664 491758949 /nfs/dbraw/zinc/75/89/49/491758949.db2.gz XELSSMUWZMJDRE-DZGCQCFKSA-N 2 1 350.850 0.590 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083664 491758950 /nfs/dbraw/zinc/75/89/50/491758950.db2.gz XELSSMUWZMJDRE-DZGCQCFKSA-N 2 1 350.850 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000581245152 491765361 /nfs/dbraw/zinc/76/53/61/491765361.db2.gz AYKSDAWIHFYXLD-OQIJWPOYSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000581445862 491773299 /nfs/dbraw/zinc/77/32/99/491773299.db2.gz SKFRLFUVDZPBOW-GJZGRUSLSA-N 2 1 356.511 0.163 20 0 FCADMP CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000581726769 491784474 /nfs/dbraw/zinc/78/44/74/491784474.db2.gz FOLDBBFEPBAURV-ULQDDVLXSA-N 2 1 355.504 0.179 20 0 FCADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000581726769 491784476 /nfs/dbraw/zinc/78/44/76/491784476.db2.gz FOLDBBFEPBAURV-ULQDDVLXSA-N 2 1 355.504 0.179 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582231547 491803320 /nfs/dbraw/zinc/80/33/20/491803320.db2.gz NHOZSDSDIFSRJD-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1S(N)(=O)=O ZINC000582302009 491806727 /nfs/dbraw/zinc/80/67/27/491806727.db2.gz RFPZNCCFERHXIO-GFCCVEGCSA-N 2 1 354.476 0.640 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2C)C1 ZINC000582376491 491809833 /nfs/dbraw/zinc/80/98/33/491809833.db2.gz QPQKIFBXJDCDKK-INIZCTEOSA-N 2 1 365.478 0.267 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000582475536 491813737 /nfs/dbraw/zinc/81/37/37/491813737.db2.gz SRTZRUSFWPHFEX-MSOLQXFVSA-N 2 1 367.538 0.422 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)cn2)CC1 ZINC000582624691 491820282 /nfs/dbraw/zinc/82/02/82/491820282.db2.gz UYZYYSSUVNSEJK-IEBWSBKVSA-N 2 1 361.490 0.638 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000582898152 491831277 /nfs/dbraw/zinc/83/12/77/491831277.db2.gz JIXVKSGNBAURFV-HXUWFJFHSA-N 2 1 362.518 0.623 20 0 FCADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000582898152 491831280 /nfs/dbraw/zinc/83/12/80/491831280.db2.gz JIXVKSGNBAURFV-HXUWFJFHSA-N 2 1 362.518 0.623 20 0 FCADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000582898152 491831282 /nfs/dbraw/zinc/83/12/82/491831282.db2.gz JIXVKSGNBAURFV-HXUWFJFHSA-N 2 1 362.518 0.623 20 0 FCADMP CN(CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC[NH+](C)C ZINC000582898152 491831284 /nfs/dbraw/zinc/83/12/84/491831284.db2.gz JIXVKSGNBAURFV-HXUWFJFHSA-N 2 1 362.518 0.623 20 0 FCADMP CN(CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC[NH+](C)C ZINC000582898152 491831285 /nfs/dbraw/zinc/83/12/85/491831285.db2.gz JIXVKSGNBAURFV-HXUWFJFHSA-N 2 1 362.518 0.623 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583156809 491839306 /nfs/dbraw/zinc/83/93/06/491839306.db2.gz HUGNMTMDMXUWPI-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583156809 491839307 /nfs/dbraw/zinc/83/93/07/491839307.db2.gz HUGNMTMDMXUWPI-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP Cn1nnc2c1C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC2 ZINC000583785865 491852053 /nfs/dbraw/zinc/85/20/53/491852053.db2.gz XCFBSDNMPVZZGE-CYBMUJFWSA-N 2 1 355.446 0.706 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)C2)C1 ZINC000583866127 491853594 /nfs/dbraw/zinc/85/35/94/491853594.db2.gz WKADBBWQFQWJTM-HLIPFELVSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000583881053 491854069 /nfs/dbraw/zinc/85/40/69/491854069.db2.gz QREQHFXKHUQFEM-QZTJIDSGSA-N 2 1 371.485 0.810 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000584162658 491859702 /nfs/dbraw/zinc/85/97/02/491859702.db2.gz MNRBVSAXYBUSJN-HNNXBMFYSA-N 2 1 351.520 0.521 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611638349 491864655 /nfs/dbraw/zinc/86/46/55/491864655.db2.gz SKRCDUDSNNNULR-KMFMINBZSA-N 2 1 364.490 0.097 20 0 FCADMP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1Br ZINC000594878027 491870344 /nfs/dbraw/zinc/87/03/44/491870344.db2.gz BENOGKNGKFJPBJ-WQAKAFBOSA-N 2 1 367.247 0.219 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612443462 491918390 /nfs/dbraw/zinc/91/83/90/491918390.db2.gz GIIPZWALEQKYJZ-HNNXBMFYSA-N 2 1 368.547 0.675 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612443462 491918391 /nfs/dbraw/zinc/91/83/91/491918391.db2.gz GIIPZWALEQKYJZ-HNNXBMFYSA-N 2 1 368.547 0.675 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000612485281 491924444 /nfs/dbraw/zinc/92/44/44/491924444.db2.gz HWPLVZJVJDECQJ-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542463 491930634 /nfs/dbraw/zinc/93/06/34/491930634.db2.gz IVCDHYDCBXZTOR-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542463 491930636 /nfs/dbraw/zinc/93/06/36/491930636.db2.gz IVCDHYDCBXZTOR-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000612542463 491930637 /nfs/dbraw/zinc/93/06/37/491930637.db2.gz IVCDHYDCBXZTOR-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542142 491930958 /nfs/dbraw/zinc/93/09/58/491930958.db2.gz GYZHYUIONZTHCH-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000612546901 491932530 /nfs/dbraw/zinc/93/25/30/491932530.db2.gz XANLMNOWUHGXDV-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000612546901 491932532 /nfs/dbraw/zinc/93/25/32/491932532.db2.gz XANLMNOWUHGXDV-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546901 491932535 /nfs/dbraw/zinc/93/25/35/491932535.db2.gz XANLMNOWUHGXDV-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546901 491932536 /nfs/dbraw/zinc/93/25/36/491932536.db2.gz XANLMNOWUHGXDV-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000612546900 491932701 /nfs/dbraw/zinc/93/27/01/491932701.db2.gz XANLMNOWUHGXDV-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000612546900 491932704 /nfs/dbraw/zinc/93/27/04/491932704.db2.gz XANLMNOWUHGXDV-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546900 491932706 /nfs/dbraw/zinc/93/27/06/491932706.db2.gz XANLMNOWUHGXDV-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546900 491932708 /nfs/dbraw/zinc/93/27/08/491932708.db2.gz XANLMNOWUHGXDV-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612595849 491936914 /nfs/dbraw/zinc/93/69/14/491936914.db2.gz REGCMDYPWVQOMA-DLBZAZTESA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000602125563 491961737 /nfs/dbraw/zinc/96/17/37/491961737.db2.gz ZCBZHQIWXITCGS-KURKYZTESA-N 2 1 350.507 0.477 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+](C)C1 ZINC000596963878 492007077 /nfs/dbraw/zinc/00/70/77/492007077.db2.gz ITHPTHHAIQMTNJ-QGZVFWFLSA-N 2 1 366.506 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985716 492008688 /nfs/dbraw/zinc/00/86/88/492008688.db2.gz JVICWLKLGUSWQY-HDKMNVHJSA-N 2 1 350.507 0.820 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653348 492066677 /nfs/dbraw/zinc/06/66/77/492066677.db2.gz QIKQOWMZSJPQMM-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604653348 492066679 /nfs/dbraw/zinc/06/66/79/492066679.db2.gz QIKQOWMZSJPQMM-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604653348 492066681 /nfs/dbraw/zinc/06/66/81/492066681.db2.gz QIKQOWMZSJPQMM-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606685543 492126532 /nfs/dbraw/zinc/12/65/32/492126532.db2.gz RMRSRIQEIBFYPF-AWEZNQCLSA-N 2 1 353.511 0.569 20 0 FCADMP CCOC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606701958 492127275 /nfs/dbraw/zinc/12/72/75/492127275.db2.gz MNPXWBFUWTUTCH-NVXWUHKLSA-N 2 1 356.511 0.441 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000606705023 492127681 /nfs/dbraw/zinc/12/76/81/492127681.db2.gz QSIKATYQYZWJQA-KRWDZBQOSA-N 2 1 354.495 0.461 20 0 FCADMP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000609487734 492209698 /nfs/dbraw/zinc/20/96/98/492209698.db2.gz DIAHHSXHSSVTER-IYBDPMFKSA-N 2 1 369.506 0.829 20 0 FCADMP COCCn1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1=O ZINC000619177107 492252542 /nfs/dbraw/zinc/25/25/42/492252542.db2.gz TVWTWDKYMBPSSL-UHFFFAOYSA-N 2 1 372.429 0.289 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627428671 492291682 /nfs/dbraw/zinc/29/16/82/492291682.db2.gz LKFCOTDINPSOGP-RWMBFGLXSA-N 2 1 364.412 0.573 20 0 FCADMP CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641741428 492301883 /nfs/dbraw/zinc/30/18/83/492301883.db2.gz JIVOHQMNRRISTD-SFHVURJKSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641778745 492303953 /nfs/dbraw/zinc/30/39/53/492303953.db2.gz XZVBQBYIURPZHU-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641810644 492306957 /nfs/dbraw/zinc/30/69/57/492306957.db2.gz CIOUSCRYRQKCRN-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641810644 492306959 /nfs/dbraw/zinc/30/69/59/492306959.db2.gz CIOUSCRYRQKCRN-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641810644 492306960 /nfs/dbraw/zinc/30/69/60/492306960.db2.gz CIOUSCRYRQKCRN-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000641806441 492307041 /nfs/dbraw/zinc/30/70/41/492307041.db2.gz PNLFGRCYZQBWIA-IAGOWNOFSA-N 2 1 374.485 0.491 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824227 492309986 /nfs/dbraw/zinc/30/99/86/492309986.db2.gz GQHFZZQOVVJVGH-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824227 492309991 /nfs/dbraw/zinc/30/99/91/492309991.db2.gz GQHFZZQOVVJVGH-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627471942 492310145 /nfs/dbraw/zinc/31/01/45/492310145.db2.gz BYFVAFQGHCSSJP-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473279 492311268 /nfs/dbraw/zinc/31/12/68/492311268.db2.gz KSCKFWFHAIBYJI-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCN2)[C@@H](C)CN1Cc1ccccc1 ZINC000627473970 492311905 /nfs/dbraw/zinc/31/19/05/492311905.db2.gz ARIRBWOBARQSQH-RYRKJORJSA-N 2 1 374.485 0.212 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647569036 492317835 /nfs/dbraw/zinc/31/78/35/492317835.db2.gz ZCODJGUXOINNAX-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000647593227 492329973 /nfs/dbraw/zinc/32/99/73/492329973.db2.gz FWADMQPJFWPWMX-CABCVRRESA-N 2 1 354.495 0.380 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194107 492340105 /nfs/dbraw/zinc/34/01/05/492340105.db2.gz WJMOTKSUMBGAAA-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000642195245 492340214 /nfs/dbraw/zinc/34/02/14/492340214.db2.gz SERHJHQDVOYSFS-MHORFTMASA-N 2 1 356.470 0.616 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253974 492345195 /nfs/dbraw/zinc/34/51/95/492345195.db2.gz USLSQYKDGBZBTN-SJLPKXTDSA-N 2 1 358.486 0.868 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253616 492345396 /nfs/dbraw/zinc/34/53/96/492345396.db2.gz BGSRWJPLWDIZTC-HNNXBMFYSA-N 2 1 368.428 0.725 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253616 492345400 /nfs/dbraw/zinc/34/54/00/492345400.db2.gz BGSRWJPLWDIZTC-HNNXBMFYSA-N 2 1 368.428 0.725 20 0 FCADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654773604 492349924 /nfs/dbraw/zinc/34/99/24/492349924.db2.gz DZQKPBQGUDJCFW-QGZVFWFLSA-N 2 1 362.522 0.685 20 0 FCADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000654773604 492349925 /nfs/dbraw/zinc/34/99/25/492349925.db2.gz DZQKPBQGUDJCFW-QGZVFWFLSA-N 2 1 362.522 0.685 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]Cc3ccccc32)nn1 ZINC000647760206 492356100 /nfs/dbraw/zinc/35/61/00/492356100.db2.gz APKIZDBUIUSPFA-WMLDXEAASA-N 2 1 356.430 0.116 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703080 492360737 /nfs/dbraw/zinc/36/07/37/492360737.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703080 492360739 /nfs/dbraw/zinc/36/07/39/492360739.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703080 492360743 /nfs/dbraw/zinc/36/07/43/492360743.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 2 1 374.529 0.800 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000642645879 492369903 /nfs/dbraw/zinc/36/99/03/492369903.db2.gz CUFCVQPQAFOGHK-KRWDZBQOSA-N 2 1 358.486 0.535 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642645420 492370293 /nfs/dbraw/zinc/37/02/93/492370293.db2.gz KBSYTBWUJUYBEE-XHSDSOJGSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693249 492374093 /nfs/dbraw/zinc/37/40/93/492374093.db2.gz ASUHIYFOJWXNAS-CYBMUJFWSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000642693249 492374099 /nfs/dbraw/zinc/37/40/99/492374099.db2.gz ASUHIYFOJWXNAS-CYBMUJFWSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000642693359 492374513 /nfs/dbraw/zinc/37/45/13/492374513.db2.gz RXKXOQKMLJCMHF-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000642693359 492374517 /nfs/dbraw/zinc/37/45/17/492374517.db2.gz RXKXOQKMLJCMHF-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729086 492381952 /nfs/dbraw/zinc/38/19/52/492381952.db2.gz DIUOYKZOJSIMRW-RDJZCZTQSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729141 492382045 /nfs/dbraw/zinc/38/20/45/492382045.db2.gz SNGPGSFITUPSOV-DZGCQCFKSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729141 492382050 /nfs/dbraw/zinc/38/20/50/492382050.db2.gz SNGPGSFITUPSOV-DZGCQCFKSA-N 2 1 350.488 0.184 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000654945764 492382381 /nfs/dbraw/zinc/38/23/81/492382381.db2.gz DRDVNGVPEHBARI-HOTGVXAUSA-N 2 1 362.478 0.516 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642732682 492382357 /nfs/dbraw/zinc/38/23/57/492382357.db2.gz OREGKWPICGQPHH-VVLHAWIVSA-N 2 1 350.507 0.681 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642732947 492382936 /nfs/dbraw/zinc/38/29/36/492382936.db2.gz IZXGKDAQACFQNP-SFHVURJKSA-N 2 1 358.486 0.809 20 0 FCADMP CC[C@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000647937334 492386022 /nfs/dbraw/zinc/38/60/22/492386022.db2.gz VZAZWOQUZTWECF-RDJZCZTQSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000647937334 492386026 /nfs/dbraw/zinc/38/60/26/492386026.db2.gz VZAZWOQUZTWECF-RDJZCZTQSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642759507 492386354 /nfs/dbraw/zinc/38/63/54/492386354.db2.gz FVLRZRLXIMNJEP-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975911 492388885 /nfs/dbraw/zinc/38/88/85/492388885.db2.gz HNFKQVNCVBWULR-RYQLBKOJSA-N 2 1 350.507 0.777 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977763 492390472 /nfs/dbraw/zinc/39/04/72/492390472.db2.gz HFUZVWHXIJKPAV-HZPDHXFCSA-N 2 1 374.551 0.096 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000642808945 492396741 /nfs/dbraw/zinc/39/67/41/492396741.db2.gz LSAQJKHXACRDEA-DOTOQJQBSA-N 2 1 362.449 0.584 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000642904418 492400178 /nfs/dbraw/zinc/40/01/78/492400178.db2.gz WBDKLJRALCRTMJ-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000642910324 492402362 /nfs/dbraw/zinc/40/23/62/492402362.db2.gz DPBFEQGNJHTMKL-OXQOHEQNSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC000621699673 492405505 /nfs/dbraw/zinc/40/55/05/492405505.db2.gz AJJVCTGUEAWTAP-BXWFABGCSA-N 2 1 364.490 0.040 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000642993516 492412794 /nfs/dbraw/zinc/41/27/94/492412794.db2.gz DTBMWHSKXUWDBH-GOSISDBHSA-N 2 1 356.470 0.755 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000643012084 492413522 /nfs/dbraw/zinc/41/35/22/492413522.db2.gz ITFOJIODBGDZSY-GOSISDBHSA-N 2 1 374.485 0.134 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000643013073 492414623 /nfs/dbraw/zinc/41/46/23/492414623.db2.gz SIXZOSJIIBRQRI-PZPYZRKGSA-N 2 1 374.529 0.809 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621838588 492421115 /nfs/dbraw/zinc/42/11/15/492421115.db2.gz GGSYZFBOOLFZQD-SPCJURDBSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621840174 492422838 /nfs/dbraw/zinc/42/28/38/492422838.db2.gz FCSCUBOFOKWRHS-XLIONFOSSA-N 2 1 356.470 0.501 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621840174 492422842 /nfs/dbraw/zinc/42/28/42/492422842.db2.gz FCSCUBOFOKWRHS-XLIONFOSSA-N 2 1 356.470 0.501 20 0 FCADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621840175 492423197 /nfs/dbraw/zinc/42/31/97/492423197.db2.gz FCSCUBOFOKWRHS-YLJYHZDGSA-N 2 1 356.470 0.501 20 0 FCADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621840175 492423199 /nfs/dbraw/zinc/42/31/99/492423199.db2.gz FCSCUBOFOKWRHS-YLJYHZDGSA-N 2 1 356.470 0.501 20 0 FCADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627933208 492423401 /nfs/dbraw/zinc/42/34/01/492423401.db2.gz OASDBIARCLEPEF-AFMYVXGZSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627933208 492423404 /nfs/dbraw/zinc/42/34/04/492423404.db2.gz OASDBIARCLEPEF-AFMYVXGZSA-N 2 1 359.470 0.603 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621844884 492425089 /nfs/dbraw/zinc/42/50/89/492425089.db2.gz YTJKJMKYTVOFEA-NQIIRXRSSA-N 2 1 370.497 0.891 20 0 FCADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621844886 492425475 /nfs/dbraw/zinc/42/54/75/492425475.db2.gz YTJKJMKYTVOFEA-WIYYLYMNSA-N 2 1 370.497 0.891 20 0 FCADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000622024741 492441995 /nfs/dbraw/zinc/44/19/95/492441995.db2.gz AWBIHSOBJLVYCU-GHTZIAJQSA-N 2 1 370.497 0.713 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000622029444 492444579 /nfs/dbraw/zinc/44/45/79/492444579.db2.gz GRGWHKAZJOEGAS-UOSKARGWSA-N 2 1 360.502 0.802 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000635487453 492456815 /nfs/dbraw/zinc/45/68/15/492456815.db2.gz OFCPKJPNRVOFNN-MRXNPFEDSA-N 2 1 366.506 0.286 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478544 /nfs/dbraw/zinc/47/85/44/492478544.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478546 /nfs/dbraw/zinc/47/85/46/492478546.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 2 1 352.523 0.807 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478549 /nfs/dbraw/zinc/47/85/49/492478549.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 2 1 352.523 0.807 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000643492450 492480442 /nfs/dbraw/zinc/48/04/42/492480442.db2.gz VTVNAINKQCVHAG-JKSUJKDBSA-N 2 1 357.458 0.249 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000643531750 492491130 /nfs/dbraw/zinc/49/11/30/492491130.db2.gz FSFIBHXYSZALNS-QZTJIDSGSA-N 2 1 374.485 0.296 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532539 492492721 /nfs/dbraw/zinc/49/27/21/492492721.db2.gz TYPJCXCTJYDZCC-HCXYKTFWSA-N 2 1 370.497 0.882 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)CC[N@@H+]1CCOC ZINC000643545018 492496193 /nfs/dbraw/zinc/49/61/93/492496193.db2.gz OFYKKMJUQUURBJ-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)CC[N@H+]1CCOC ZINC000643545018 492496199 /nfs/dbraw/zinc/49/61/99/492496199.db2.gz OFYKKMJUQUURBJ-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@H]1C[NH3+] ZINC000643549795 492496737 /nfs/dbraw/zinc/49/67/37/492496737.db2.gz QVMZATWJXXNIBY-MUQADHOPSA-N 2 1 362.518 0.905 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000643592226 492502440 /nfs/dbraw/zinc/50/24/40/492502440.db2.gz JELSTSIQBAEBAM-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CCOC(CNC(=O)[C@@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635785117 492504699 /nfs/dbraw/zinc/50/46/99/492504699.db2.gz CELABTSTHVYGCK-IRXDYDNUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000649311268 492528835 /nfs/dbraw/zinc/52/88/35/492528835.db2.gz BVHNLBUUXIBMBE-PBHICJAKSA-N 2 1 354.458 0.989 20 0 FCADMP C[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000649311271 492528992 /nfs/dbraw/zinc/52/89/92/492528992.db2.gz BVHNLBUUXIBMBE-YOEHRIQHSA-N 2 1 354.458 0.989 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934292 492531291 /nfs/dbraw/zinc/53/12/91/492531291.db2.gz OOKRIMDQUHXEBK-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1=O ZINC000635934292 492531293 /nfs/dbraw/zinc/53/12/93/492531293.db2.gz OOKRIMDQUHXEBK-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1=O ZINC000635934292 492531295 /nfs/dbraw/zinc/53/12/95/492531295.db2.gz OOKRIMDQUHXEBK-RDJZCZTQSA-N 2 1 366.506 0.299 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)C1 ZINC000649321070 492531979 /nfs/dbraw/zinc/53/19/79/492531979.db2.gz KJEZNHLAASHJKO-WNRNVDISSA-N 2 1 356.470 0.466 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)C1 ZINC000649321069 492532256 /nfs/dbraw/zinc/53/22/56/492532256.db2.gz KJEZNHLAASHJKO-BDXSIMOUSA-N 2 1 356.470 0.466 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2C1 ZINC000635986638 492536708 /nfs/dbraw/zinc/53/67/08/492536708.db2.gz GKJIDUKDTKHNBT-FOIPXRHGSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[NH2+]CCOC3)CC2)oc1C ZINC000649331780 492536757 /nfs/dbraw/zinc/53/67/57/492536757.db2.gz WSOVIQFAWCEMPY-INIZCTEOSA-N 2 1 350.463 0.856 20 0 FCADMP C[C@@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000649342265 492540095 /nfs/dbraw/zinc/54/00/95/492540095.db2.gz XJESVCVMPDVWPH-CABCVRRESA-N 2 1 362.478 0.576 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000636023435 492541566 /nfs/dbraw/zinc/54/15/66/492541566.db2.gz JWCZIPALZNPHJQ-UHFFFAOYSA-N 2 1 363.506 0.919 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000656086743 492547811 /nfs/dbraw/zinc/54/78/11/492547811.db2.gz IUGAXILOOWPXAV-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409740 492551154 /nfs/dbraw/zinc/55/11/54/492551154.db2.gz PJWKPADAQLQUPJ-SFHVURJKSA-N 2 1 359.518 0.561 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409740 492551159 /nfs/dbraw/zinc/55/11/59/492551159.db2.gz PJWKPADAQLQUPJ-SFHVURJKSA-N 2 1 359.518 0.561 20 0 FCADMP Cc1cccc(CN2CCN(C(=O)C[N@H+](C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409732 492551618 /nfs/dbraw/zinc/55/16/18/492551618.db2.gz ORIMQPVCQSDLEC-UHFFFAOYSA-N 2 1 373.545 0.476 20 0 FCADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+](C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409732 492551620 /nfs/dbraw/zinc/55/16/20/492551620.db2.gz ORIMQPVCQSDLEC-UHFFFAOYSA-N 2 1 373.545 0.476 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409732 492551623 /nfs/dbraw/zinc/55/16/23/492551623.db2.gz ORIMQPVCQSDLEC-UHFFFAOYSA-N 2 1 373.545 0.476 20 0 FCADMP OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000649413635 492552507 /nfs/dbraw/zinc/55/25/07/492552507.db2.gz VKVXWZASYGPQTR-SFHVURJKSA-N 2 1 352.910 0.896 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410866 492552549 /nfs/dbraw/zinc/55/25/49/492552549.db2.gz ZHRXOXLOWLCQBH-IEBWSBKVSA-N 2 1 360.502 0.687 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656299091 492577165 /nfs/dbraw/zinc/57/71/65/492577165.db2.gz XAHNSNQWMGDNES-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656299091 492577170 /nfs/dbraw/zinc/57/71/70/492577170.db2.gz XAHNSNQWMGDNES-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656299091 492577173 /nfs/dbraw/zinc/57/71/73/492577173.db2.gz XAHNSNQWMGDNES-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000636458682 492590859 /nfs/dbraw/zinc/59/08/59/492590859.db2.gz MOJVXWKKDFHMCN-SFHVURJKSA-N 2 1 358.486 0.896 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000636536442 492613451 /nfs/dbraw/zinc/61/34/51/492613451.db2.gz ICFSESIKFXYKPR-INIZCTEOSA-N 2 1 350.463 0.493 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000636769095 492688070 /nfs/dbraw/zinc/68/80/70/492688070.db2.gz ZNWYLNDQFBKJFC-ZJPYXAASSA-N 2 1 367.538 0.515 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000636769095 492688073 /nfs/dbraw/zinc/68/80/73/492688073.db2.gz ZNWYLNDQFBKJFC-ZJPYXAASSA-N 2 1 367.538 0.515 20 0 FCADMP CCN1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](OC)C2)C1 ZINC000636793837 492695317 /nfs/dbraw/zinc/69/53/17/492695317.db2.gz CKQAZAWTDSAXEL-TVFCKZIOSA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](OC)C2)C1 ZINC000636793837 492695320 /nfs/dbraw/zinc/69/53/20/492695320.db2.gz CKQAZAWTDSAXEL-TVFCKZIOSA-N 2 1 368.522 0.990 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](OC)C2)C1 ZINC000636793837 492695323 /nfs/dbraw/zinc/69/53/23/492695323.db2.gz CKQAZAWTDSAXEL-TVFCKZIOSA-N 2 1 368.522 0.990 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](OC)C2)C1 ZINC000636793837 492695331 /nfs/dbraw/zinc/69/53/31/492695331.db2.gz CKQAZAWTDSAXEL-TVFCKZIOSA-N 2 1 368.522 0.990 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636813987 492701736 /nfs/dbraw/zinc/70/17/36/492701736.db2.gz DKSKLFHROIZGAP-AWEZNQCLSA-N 2 1 350.467 0.992 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1nccn1C ZINC000625317771 492756268 /nfs/dbraw/zinc/75/62/68/492756268.db2.gz KEYHLQJXQWMUDA-KBMXLJTQSA-N 2 1 361.446 0.015 20 0 FCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000630796083 492775484 /nfs/dbraw/zinc/77/54/84/492775484.db2.gz LDQXATYRVHOFIR-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000630796083 492775491 /nfs/dbraw/zinc/77/54/91/492775491.db2.gz LDQXATYRVHOFIR-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000630796083 492775495 /nfs/dbraw/zinc/77/54/95/492775495.db2.gz LDQXATYRVHOFIR-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644607616 492790846 /nfs/dbraw/zinc/79/08/46/492790846.db2.gz UEPJVSFAQUQQBD-SJORKVTESA-N 2 1 355.504 0.350 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644607616 492790849 /nfs/dbraw/zinc/79/08/49/492790849.db2.gz UEPJVSFAQUQQBD-SJORKVTESA-N 2 1 355.504 0.350 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000644646237 492795692 /nfs/dbraw/zinc/79/56/92/492795692.db2.gz CSXOTXLEGAWXNH-WUJZJPHMSA-N 2 1 360.458 0.590 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000644646237 492795696 /nfs/dbraw/zinc/79/56/96/492795696.db2.gz CSXOTXLEGAWXNH-WUJZJPHMSA-N 2 1 360.458 0.590 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000625525541 492811539 /nfs/dbraw/zinc/81/15/39/492811539.db2.gz WXAZKXKKUILOFA-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000625525541 492811542 /nfs/dbraw/zinc/81/15/42/492811542.db2.gz WXAZKXKKUILOFA-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000625525541 492811546 /nfs/dbraw/zinc/81/15/46/492811546.db2.gz WXAZKXKKUILOFA-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000625525541 492811551 /nfs/dbraw/zinc/81/15/51/492811551.db2.gz WXAZKXKKUILOFA-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000637376748 492816167 /nfs/dbraw/zinc/81/61/67/492816167.db2.gz NNTKIGUKVLMJEQ-HOTGVXAUSA-N 2 1 351.495 0.596 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637375926 492816380 /nfs/dbraw/zinc/81/63/80/492816380.db2.gz VMGYNPQBVIYORB-HNNXBMFYSA-N 2 1 351.495 0.596 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631858046 492864650 /nfs/dbraw/zinc/86/46/50/492864650.db2.gz QYUZXRPHYBFPHB-IRXDYDNUSA-N 2 1 372.579 0.901 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631879716 492868531 /nfs/dbraw/zinc/86/85/31/492868531.db2.gz DVVSUIKSCMUBQF-INIZCTEOSA-N 2 1 374.551 0.334 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631879716 492868537 /nfs/dbraw/zinc/86/85/37/492868537.db2.gz DVVSUIKSCMUBQF-INIZCTEOSA-N 2 1 374.551 0.334 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000631910874 492876975 /nfs/dbraw/zinc/87/69/75/492876975.db2.gz PXGXAKRQBDGDIK-UHFFFAOYSA-N 2 1 366.531 0.775 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000652151144 492888479 /nfs/dbraw/zinc/88/84/79/492888479.db2.gz KFJHAZRSXWCWKV-XHSDSOJGSA-N 2 1 356.536 0.963 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000652171683 492890720 /nfs/dbraw/zinc/89/07/20/492890720.db2.gz SIXWUKAAGYUALD-QUSNUVHPSA-N 2 1 354.495 0.633 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000652171683 492890722 /nfs/dbraw/zinc/89/07/22/492890722.db2.gz SIXWUKAAGYUALD-QUSNUVHPSA-N 2 1 354.495 0.633 20 0 FCADMP COc1cccc([C@@H]([NH3+])C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000638097988 492904943 /nfs/dbraw/zinc/90/49/43/492904943.db2.gz YRKFCTVVRFXKJH-DLBZAZTESA-N 2 1 362.474 0.754 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638094585 492905061 /nfs/dbraw/zinc/90/50/61/492905061.db2.gz KAODVUAYSDPTAO-YLJYHZDGSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)c1ccccc1 ZINC000625973349 492909900 /nfs/dbraw/zinc/90/99/00/492909900.db2.gz BCZSDKSRCCSANQ-YSIASYRMSA-N 2 1 363.502 0.718 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)c1ccccc1 ZINC000625973349 492909903 /nfs/dbraw/zinc/90/99/03/492909903.db2.gz BCZSDKSRCCSANQ-YSIASYRMSA-N 2 1 363.502 0.718 20 0 FCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652347734 492913113 /nfs/dbraw/zinc/91/31/13/492913113.db2.gz KKCWOXHPBRVJJH-KKUMJFAQSA-N 2 1 352.479 0.925 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348668 492913586 /nfs/dbraw/zinc/91/35/86/492913586.db2.gz MLLMFUFCMXTQDT-XYJFISCASA-N 3 1 352.523 0.805 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638134719 492913794 /nfs/dbraw/zinc/91/37/94/492913794.db2.gz OFJFHCKZBFJVLI-USWWRNFRSA-N 2 1 354.405 0.963 20 0 FCADMP C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354824 492914124 /nfs/dbraw/zinc/91/41/24/492914124.db2.gz JINQJHVYYGWUSA-YOEHRIQHSA-N 2 1 362.474 0.616 20 0 FCADMP C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354824 492914129 /nfs/dbraw/zinc/91/41/29/492914129.db2.gz JINQJHVYYGWUSA-YOEHRIQHSA-N 2 1 362.474 0.616 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352223 492914483 /nfs/dbraw/zinc/91/44/83/492914483.db2.gz VBSQWCIFLBQIIV-BXWFABGCSA-N 2 1 358.490 0.575 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632036720 492916311 /nfs/dbraw/zinc/91/63/11/492916311.db2.gz AMBBICRMDPFXBU-KRWDZBQOSA-N 2 1 360.568 0.760 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138227 492917197 /nfs/dbraw/zinc/91/71/97/492917197.db2.gz YHLXEPCNBSQRSC-QFBILLFUSA-N 2 1 362.518 0.955 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141424 492917361 /nfs/dbraw/zinc/91/73/61/492917361.db2.gz UHTMOJIPFZJGTQ-IEBWSBKVSA-N 2 1 361.490 0.477 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632057421 492920944 /nfs/dbraw/zinc/92/09/44/492920944.db2.gz DBEYERKVPCRSKG-SFHVURJKSA-N 2 1 372.579 0.617 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000632122237 492934129 /nfs/dbraw/zinc/93/41/29/492934129.db2.gz PILWGIVSDMVMRW-IAGOWNOFSA-N 2 1 358.552 0.370 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000632170653 492943094 /nfs/dbraw/zinc/94/30/94/492943094.db2.gz HNSSQMWFFDHGJU-ROUUACIJSA-N 2 1 369.531 0.741 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638440782 492947723 /nfs/dbraw/zinc/94/77/23/492947723.db2.gz QPJQYELMAJOICF-OAHLLOKOSA-N 2 1 357.462 0.730 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000632206843 492950311 /nfs/dbraw/zinc/95/03/11/492950311.db2.gz TXZFPPDPDXJVJX-UHFFFAOYSA-N 2 1 360.568 0.617 20 0 FCADMP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000645694496 492961855 /nfs/dbraw/zinc/96/18/55/492961855.db2.gz TUZADQDIYIGSMO-SFHVURJKSA-N 2 1 354.414 0.760 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000645694496 492961859 /nfs/dbraw/zinc/96/18/59/492961859.db2.gz TUZADQDIYIGSMO-SFHVURJKSA-N 2 1 354.414 0.760 20 0 FCADMP C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000632306895 492969671 /nfs/dbraw/zinc/96/96/71/492969671.db2.gz YLVKYYLJZOGMOD-HDICACEKSA-N 2 1 360.502 0.769 20 0 FCADMP C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632306895 492969678 /nfs/dbraw/zinc/96/96/78/492969678.db2.gz YLVKYYLJZOGMOD-HDICACEKSA-N 2 1 360.502 0.769 20 0 FCADMP C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]2C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000632306895 492969681 /nfs/dbraw/zinc/96/96/81/492969681.db2.gz YLVKYYLJZOGMOD-HDICACEKSA-N 2 1 360.502 0.769 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638754739 492976696 /nfs/dbraw/zinc/97/66/96/492976696.db2.gz DLARFJNOBSOLPC-FUHWJXTLSA-N 2 1 354.458 0.951 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652668487 492983214 /nfs/dbraw/zinc/98/32/14/492983214.db2.gz BNCOEJHQNPEDEW-HNNXBMFYSA-N 2 1 354.495 0.109 20 0 FCADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673709 492985169 /nfs/dbraw/zinc/98/51/69/492985169.db2.gz YSQOENVWSLGNBR-DMRKSPOLSA-N 2 1 368.522 0.291 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000645925818 492988381 /nfs/dbraw/zinc/98/83/81/492988381.db2.gz SZQXWJUXMQAKJZ-KRWDZBQOSA-N 2 1 373.501 0.977 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652701677 492994787 /nfs/dbraw/zinc/99/47/87/492994787.db2.gz GWGNCVYKYWLZSK-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652701677 492994791 /nfs/dbraw/zinc/99/47/91/492994791.db2.gz GWGNCVYKYWLZSK-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C1CCCCC1 ZINC000652708049 492996713 /nfs/dbraw/zinc/99/67/13/492996713.db2.gz LMPLWPIIMCOHMW-KRWDZBQOSA-N 2 1 367.538 0.249 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725717 493005234 /nfs/dbraw/zinc/00/52/34/493005234.db2.gz RGJDMWYUWMIYDL-QGZVFWFLSA-N 2 1 350.507 0.683 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652726658 493006015 /nfs/dbraw/zinc/00/60/15/493006015.db2.gz GZHNGWAGSWPQOM-GVDBMIGSSA-N 2 1 366.506 0.286 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652726657 493006039 /nfs/dbraw/zinc/00/60/39/493006039.db2.gz GZHNGWAGSWPQOM-BBWFWOEESA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652730046 493007296 /nfs/dbraw/zinc/00/72/96/493007296.db2.gz GMWXOMDTPVSOMO-OAHLLOKOSA-N 2 1 366.506 0.286 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000652729862 493007610 /nfs/dbraw/zinc/00/76/10/493007610.db2.gz YPWWYFGDZRAOQS-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000652729862 493007614 /nfs/dbraw/zinc/00/76/14/493007614.db2.gz YPWWYFGDZRAOQS-INIZCTEOSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652734558 493011388 /nfs/dbraw/zinc/01/13/88/493011388.db2.gz OSRDEHWWSUUTDH-ULQDDVLXSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105719 493013141 /nfs/dbraw/zinc/01/31/41/493013141.db2.gz FCSSWIXLYXLXBM-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626934813 493067834 /nfs/dbraw/zinc/06/78/34/493067834.db2.gz OBRCASJTZZXGOE-SFHVURJKSA-N 2 1 369.473 0.670 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124442 493075139 /nfs/dbraw/zinc/07/51/39/493075139.db2.gz YSSRBAZKOYZZDP-LSDHHAIUSA-N 2 1 353.536 0.432 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000653147825 493077238 /nfs/dbraw/zinc/07/72/38/493077238.db2.gz BIFNXPMPHURXBV-GOSISDBHSA-N 2 1 363.506 0.412 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029093 493106363 /nfs/dbraw/zinc/10/63/63/493106363.db2.gz PXBWEAFUENMAIP-IRXDYDNUSA-N 2 1 358.442 0.073 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627233166 493112855 /nfs/dbraw/zinc/11/28/55/493112855.db2.gz OGDLONKHMCVGEP-OAHLLOKOSA-N 2 1 365.482 0.065 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627233166 493112860 /nfs/dbraw/zinc/11/28/60/493112860.db2.gz OGDLONKHMCVGEP-OAHLLOKOSA-N 2 1 365.482 0.065 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633079525 493117409 /nfs/dbraw/zinc/11/74/09/493117409.db2.gz WSKARCIVXZCWJS-CALCHBBNSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000633085093 493118827 /nfs/dbraw/zinc/11/88/27/493118827.db2.gz OJPMMQVRHPXPEC-MTSZKFMLSA-N 2 1 364.490 0.049 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259097 493120169 /nfs/dbraw/zinc/12/01/69/493120169.db2.gz MZCGTTNWSHNCGR-IAGOWNOFSA-N 2 1 351.491 0.689 20 0 FCADMP COc1ccccc1CNC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640757497 493128553 /nfs/dbraw/zinc/12/85/53/493128553.db2.gz NVEYUEJHMYLJRD-UHFFFAOYSA-N 2 1 372.473 0.569 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000633115189 493131622 /nfs/dbraw/zinc/13/16/22/493131622.db2.gz HGZABHKKYDPKFY-KGLIPLIRSA-N 2 1 350.488 0.383 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000627296979 493139178 /nfs/dbraw/zinc/13/91/78/493139178.db2.gz YUVHDTUCZOQSRE-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647000809 493143745 /nfs/dbraw/zinc/14/37/45/493143745.db2.gz UFPNGMOOOLNZAS-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312227 493146443 /nfs/dbraw/zinc/14/64/43/493146443.db2.gz TVYVPSASFXOCTF-DOTOQJQBSA-N 2 1 362.474 0.372 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)N3CCc4sccc4C3)nn2)CC1 ZINC000640901928 493148536 /nfs/dbraw/zinc/14/85/36/493148536.db2.gz KBYPNJPRDUOKRD-UHFFFAOYSA-N 2 1 374.514 0.890 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000627319797 493150242 /nfs/dbraw/zinc/15/02/42/493150242.db2.gz HJNSTZKLXMIRBD-OAHLLOKOSA-N 2 1 362.474 0.331 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000627319797 493150248 /nfs/dbraw/zinc/15/02/48/493150248.db2.gz HJNSTZKLXMIRBD-OAHLLOKOSA-N 2 1 362.474 0.331 20 0 FCADMP C[NH+](C)CCc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640953180 493153637 /nfs/dbraw/zinc/15/36/37/493153637.db2.gz KBAWTGZZLWVRLU-UHFFFAOYSA-N 2 1 356.474 0.727 20 0 FCADMP CCCN(C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647076124 493158442 /nfs/dbraw/zinc/15/84/42/493158442.db2.gz NPQPHGGRTHCYKH-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627346360 493166237 /nfs/dbraw/zinc/16/62/37/493166237.db2.gz OIDHBISCFOQPEV-NEPJUHHUSA-N 2 1 361.368 0.293 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731993 493172244 /nfs/dbraw/zinc/17/22/44/493172244.db2.gz PXEQLWFGHGDQQC-MSOLQXFVSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731993 493172251 /nfs/dbraw/zinc/17/22/51/493172251.db2.gz PXEQLWFGHGDQQC-MSOLQXFVSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731993 493172254 /nfs/dbraw/zinc/17/22/54/493172254.db2.gz PXEQLWFGHGDQQC-MSOLQXFVSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731993 493172260 /nfs/dbraw/zinc/17/22/60/493172260.db2.gz PXEQLWFGHGDQQC-MSOLQXFVSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731995 493172355 /nfs/dbraw/zinc/17/23/55/493172355.db2.gz PXEQLWFGHGDQQC-QZTJIDSGSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731995 493172360 /nfs/dbraw/zinc/17/23/60/493172360.db2.gz PXEQLWFGHGDQQC-QZTJIDSGSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731995 493172365 /nfs/dbraw/zinc/17/23/65/493172365.db2.gz PXEQLWFGHGDQQC-QZTJIDSGSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653731995 493172368 /nfs/dbraw/zinc/17/23/68/493172368.db2.gz PXEQLWFGHGDQQC-QZTJIDSGSA-N 2 1 366.506 0.555 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627357142 493174082 /nfs/dbraw/zinc/17/40/82/493174082.db2.gz YNTMKWCUHSNKCC-MRXNPFEDSA-N 2 1 364.515 0.527 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627357142 493174089 /nfs/dbraw/zinc/17/40/89/493174089.db2.gz YNTMKWCUHSNKCC-MRXNPFEDSA-N 2 1 364.515 0.527 20 0 FCADMP CC(C)[NH2+]CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000659247350 493178638 /nfs/dbraw/zinc/17/86/38/493178638.db2.gz VTLZCRPUCOPLID-UHFFFAOYSA-N 2 1 361.490 0.833 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)COc3ccc(F)cc3)nn2)CC1 ZINC000641201086 493179384 /nfs/dbraw/zinc/17/93/84/493179384.db2.gz GEQOYTQLFMVJCE-KRWDZBQOSA-N 2 1 363.437 0.823 20 0 FCADMP COCC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641221772 493184154 /nfs/dbraw/zinc/18/41/54/493184154.db2.gz HZWKXLPVUPVUIO-PKOBYXMFSA-N 2 1 359.474 0.994 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641221772 493184158 /nfs/dbraw/zinc/18/41/58/493184158.db2.gz HZWKXLPVUPVUIO-PKOBYXMFSA-N 2 1 359.474 0.994 20 0 FCADMP O[C@]1(Cn2cc(CCN3CC[NH2+]CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641228650 493185282 /nfs/dbraw/zinc/18/52/82/493185282.db2.gz BXOBCLBEQXAHPE-HXUWFJFHSA-N 2 1 370.501 0.363 20 0 FCADMP O[C@@]1(Cn2cc(CN3CC[NH2+]CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641229106 493186203 /nfs/dbraw/zinc/18/62/03/493186203.db2.gz GKMXWIGBQUHIME-IBGZPJMESA-N 2 1 356.474 0.320 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000659501162 493200963 /nfs/dbraw/zinc/20/09/63/493200963.db2.gz XETOYJSDGNKXPB-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000659501162 493200968 /nfs/dbraw/zinc/20/09/68/493200968.db2.gz XETOYJSDGNKXPB-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000659501162 493200972 /nfs/dbraw/zinc/20/09/72/493200972.db2.gz XETOYJSDGNKXPB-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000659501162 493200975 /nfs/dbraw/zinc/20/09/75/493200975.db2.gz XETOYJSDGNKXPB-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590870 493217572 /nfs/dbraw/zinc/21/75/72/493217572.db2.gz QNYUFWWHWTXGAE-JFIYKMOQSA-N 2 1 350.438 0.637 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000659616521 493221109 /nfs/dbraw/zinc/22/11/09/493221109.db2.gz LPSSJVMEOHLVCP-SFANZJOMSA-N 2 1 358.486 0.921 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1Cc1ccccc1 ZINC000659630244 493223752 /nfs/dbraw/zinc/22/37/52/493223752.db2.gz MJQOTDDMJNRZEN-MRXNPFEDSA-N 2 1 370.457 0.709 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1Cc1ccccc1 ZINC000659630244 493223754 /nfs/dbraw/zinc/22/37/54/493223754.db2.gz MJQOTDDMJNRZEN-MRXNPFEDSA-N 2 1 370.457 0.709 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000672655510 493229105 /nfs/dbraw/zinc/22/91/05/493229105.db2.gz YPPZWWQEJFNWJZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000672655510 493229107 /nfs/dbraw/zinc/22/91/07/493229107.db2.gz YPPZWWQEJFNWJZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672655510 493229109 /nfs/dbraw/zinc/22/91/09/493229109.db2.gz YPPZWWQEJFNWJZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672655510 493229111 /nfs/dbraw/zinc/22/91/11/493229111.db2.gz YPPZWWQEJFNWJZ-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2N)C1 ZINC000666910971 493236412 /nfs/dbraw/zinc/23/64/12/493236412.db2.gz LCMWIUPNMRDDDF-HUUCEWRRSA-N 2 1 373.501 0.632 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)[C@H]2C1 ZINC000666961374 493242122 /nfs/dbraw/zinc/24/21/22/493242122.db2.gz MPCHEMPHPFJUGW-LRDDRELGSA-N 2 1 360.433 0.963 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000666976898 493244130 /nfs/dbraw/zinc/24/41/30/493244130.db2.gz RWGMHJAHNQSNEP-INIZCTEOSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000666977133 493244224 /nfs/dbraw/zinc/24/42/24/493244224.db2.gz WZKVUYIXPDDNHB-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000666977133 493244227 /nfs/dbraw/zinc/24/42/27/493244227.db2.gz WZKVUYIXPDDNHB-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699491 493260120 /nfs/dbraw/zinc/26/01/20/493260120.db2.gz UECOIPMUKWWURG-YQQAZPJKSA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699491 493260123 /nfs/dbraw/zinc/26/01/23/493260123.db2.gz UECOIPMUKWWURG-YQQAZPJKSA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699492 493260420 /nfs/dbraw/zinc/26/04/20/493260420.db2.gz UECOIPMUKWWURG-ZMSDIMECSA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699492 493260424 /nfs/dbraw/zinc/26/04/24/493260424.db2.gz UECOIPMUKWWURG-ZMSDIMECSA-N 2 1 362.474 0.116 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000659700917 493261351 /nfs/dbraw/zinc/26/13/51/493261351.db2.gz ASKKLNDZJVNRRB-MAUKXSAKSA-N 2 1 362.518 0.991 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659702796 493262247 /nfs/dbraw/zinc/26/22/47/493262247.db2.gz UXCNQWNJFRSIHC-KSZLIROESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](CCNC(=O)c1cccc(C(=O)NCC[N@H+](C)C2CC2)c1N)C1CC1 ZINC000667158717 493263409 /nfs/dbraw/zinc/26/34/09/493263409.db2.gz HCWQRTKXAMRCBQ-UHFFFAOYSA-N 2 1 373.501 0.917 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000659738845 493279809 /nfs/dbraw/zinc/27/98/09/493279809.db2.gz IYHGEMYFOPXJLM-YESZJQIVSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000659747650 493283771 /nfs/dbraw/zinc/28/37/71/493283771.db2.gz GALFDPUFTWFRAD-RYQLBKOJSA-N 2 1 371.485 0.449 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1C/C=C\C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682539061 493307235 /nfs/dbraw/zinc/30/72/35/493307235.db2.gz VLPWRAUKYJJIRT-CYJIWRBHSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C\C[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539061 493307236 /nfs/dbraw/zinc/30/72/36/493307236.db2.gz VLPWRAUKYJJIRT-CYJIWRBHSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C\C[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682539061 493307237 /nfs/dbraw/zinc/30/72/37/493307237.db2.gz VLPWRAUKYJJIRT-CYJIWRBHSA-N 2 1 360.502 0.714 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308363 493316325 /nfs/dbraw/zinc/31/63/25/493316325.db2.gz PUCPVLWAQHFJRL-JYJNAYRXSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308363 493316327 /nfs/dbraw/zinc/31/63/27/493316327.db2.gz PUCPVLWAQHFJRL-JYJNAYRXSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673427941 493327472 /nfs/dbraw/zinc/32/74/72/493327472.db2.gz SMRWLVDZNGHARL-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000673427941 493327475 /nfs/dbraw/zinc/32/74/75/493327475.db2.gz SMRWLVDZNGHARL-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000673427941 493327476 /nfs/dbraw/zinc/32/74/76/493327476.db2.gz SMRWLVDZNGHARL-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000668526239 493371021 /nfs/dbraw/zinc/37/10/21/493371021.db2.gz BQXKZIIPNZGZRU-GUYCJALGSA-N 2 1 356.536 0.529 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000660692842 493373110 /nfs/dbraw/zinc/37/31/10/493373110.db2.gz RHYPAOLQJKGWCQ-KRWDZBQOSA-N 2 1 354.539 0.612 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000660830058 493383015 /nfs/dbraw/zinc/38/30/15/493383015.db2.gz KUVQMGSWRBKQQK-SJLPKXTDSA-N 2 1 367.538 0.422 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668731352 493402816 /nfs/dbraw/zinc/40/28/16/493402816.db2.gz AJTHJESRNUCLMG-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000668843689 493419897 /nfs/dbraw/zinc/41/98/97/493419897.db2.gz WISDRFUEIIKOTE-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000668892178 493429548 /nfs/dbraw/zinc/42/95/48/493429548.db2.gz YMEZYVSOZIDWEO-BBWFWOEESA-N 2 1 366.506 0.347 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000685305271 493473835 /nfs/dbraw/zinc/47/38/35/493473835.db2.gz SWZBRNLYSLEHDJ-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685337832 493478292 /nfs/dbraw/zinc/47/82/92/493478292.db2.gz JGUSIGLFMBXNSB-JYJNAYRXSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685337832 493478295 /nfs/dbraw/zinc/47/82/95/493478295.db2.gz JGUSIGLFMBXNSB-JYJNAYRXSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685337832 493478297 /nfs/dbraw/zinc/47/82/97/493478297.db2.gz JGUSIGLFMBXNSB-JYJNAYRXSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685337832 493478301 /nfs/dbraw/zinc/47/83/01/493478301.db2.gz JGUSIGLFMBXNSB-JYJNAYRXSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342712 493481192 /nfs/dbraw/zinc/48/11/92/493481192.db2.gz LFCLQNBASUXYJA-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342712 493481196 /nfs/dbraw/zinc/48/11/96/493481196.db2.gz LFCLQNBASUXYJA-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342712 493481198 /nfs/dbraw/zinc/48/11/98/493481198.db2.gz LFCLQNBASUXYJA-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342712 493481200 /nfs/dbraw/zinc/48/12/00/493481200.db2.gz LFCLQNBASUXYJA-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342518 493481560 /nfs/dbraw/zinc/48/15/60/493481560.db2.gz JAWKLIVSNGFZPC-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342518 493481562 /nfs/dbraw/zinc/48/15/62/493481562.db2.gz JAWKLIVSNGFZPC-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000685343310 493482621 /nfs/dbraw/zinc/48/26/21/493482621.db2.gz LXBBVKBEXPDIRV-GDBMZVCRSA-N 2 1 366.462 0.005 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343310 493482622 /nfs/dbraw/zinc/48/26/22/493482622.db2.gz LXBBVKBEXPDIRV-GDBMZVCRSA-N 2 1 366.462 0.005 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685344603 493482812 /nfs/dbraw/zinc/48/28/12/493482812.db2.gz ZDCZIVMBOWKQOR-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344603 493482816 /nfs/dbraw/zinc/48/28/16/493482816.db2.gz ZDCZIVMBOWKQOR-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000662058283 493486581 /nfs/dbraw/zinc/48/65/81/493486581.db2.gz WWOIRKHKOPKKHR-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000675536550 493488122 /nfs/dbraw/zinc/48/81/22/493488122.db2.gz SGROIZQNZNIISO-OAHLLOKOSA-N 2 1 353.511 0.522 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000685444530 493492912 /nfs/dbraw/zinc/49/29/12/493492912.db2.gz FKVFXYAFKRDLAA-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000685444530 493492915 /nfs/dbraw/zinc/49/29/15/493492915.db2.gz FKVFXYAFKRDLAA-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000685444530 493492917 /nfs/dbraw/zinc/49/29/17/493492917.db2.gz FKVFXYAFKRDLAA-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000685444530 493492920 /nfs/dbraw/zinc/49/29/20/493492920.db2.gz FKVFXYAFKRDLAA-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154261 493493267 /nfs/dbraw/zinc/49/32/67/493493267.db2.gz GMMVDVZTTAUELQ-QGZVFWFLSA-N 2 1 360.458 0.645 20 0 FCADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154261 493493270 /nfs/dbraw/zinc/49/32/70/493493270.db2.gz GMMVDVZTTAUELQ-QGZVFWFLSA-N 2 1 360.458 0.645 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000662221620 493497525 /nfs/dbraw/zinc/49/75/25/493497525.db2.gz BGZLOGJQEANVOV-NFQUHZNNSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@@H](O)C[N@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000662221620 493497528 /nfs/dbraw/zinc/49/75/28/493497528.db2.gz BGZLOGJQEANVOV-NFQUHZNNSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000662221620 493497532 /nfs/dbraw/zinc/49/75/32/493497532.db2.gz BGZLOGJQEANVOV-NFQUHZNNSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367587 493501371 /nfs/dbraw/zinc/50/13/71/493501371.db2.gz POKQWKDGAQEFMT-SJLPKXTDSA-N 2 1 361.490 0.485 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367585 493501517 /nfs/dbraw/zinc/50/15/17/493501517.db2.gz POKQWKDGAQEFMT-AEFFLSMTSA-N 2 1 361.490 0.485 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)c1 ZINC000662287220 493503209 /nfs/dbraw/zinc/50/32/09/493503209.db2.gz VCBVFVWONXZHBZ-UHFFFAOYSA-N 2 1 360.502 0.343 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494895 493507475 /nfs/dbraw/zinc/50/74/75/493507475.db2.gz UISGSYQTENDDIF-JQHSSLGASA-N 2 1 362.474 0.564 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494895 493507478 /nfs/dbraw/zinc/50/74/78/493507478.db2.gz UISGSYQTENDDIF-JQHSSLGASA-N 2 1 362.474 0.564 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000669518501 493509080 /nfs/dbraw/zinc/50/90/80/493509080.db2.gz QMOJWJWTVLMHDW-WMZOPIPTSA-N 2 1 373.501 0.628 20 0 FCADMP Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662365171 493509986 /nfs/dbraw/zinc/50/99/86/493509986.db2.gz PTSFXNUQTMCFDL-KCQAQPDRSA-N 2 1 364.494 0.739 20 0 FCADMP c1cnc(N2CCC([NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)CC2)cn1 ZINC000675885673 493510334 /nfs/dbraw/zinc/51/03/34/493510334.db2.gz GPULJDCQCNGKIH-GOSISDBHSA-N 2 1 360.506 0.442 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994313 493517039 /nfs/dbraw/zinc/51/70/39/493517039.db2.gz ABNRCCWGNBFPEB-NVXWUHKLSA-N 2 1 365.522 0.665 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662462534 493518185 /nfs/dbraw/zinc/51/81/85/493518185.db2.gz KHQRPCAHDILWRJ-HNNXBMFYSA-N 2 1 364.515 0.530 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662674390 493530961 /nfs/dbraw/zinc/53/09/61/493530961.db2.gz CYCZEIKNZZCKSU-DLBZAZTESA-N 2 1 360.458 0.054 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nnn1[C@H]1CC[NH2+]C1 ZINC000662705013 493533100 /nfs/dbraw/zinc/53/31/00/493533100.db2.gz LJCZAHVFOHUSIC-ARFHVFGLSA-N 2 1 374.489 0.494 20 0 FCADMP C[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246983 493534420 /nfs/dbraw/zinc/53/44/20/493534420.db2.gz YSVPVTUIRSVGBB-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246983 493534421 /nfs/dbraw/zinc/53/44/21/493534421.db2.gz YSVPVTUIRSVGBB-CVEARBPZSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245230 493534625 /nfs/dbraw/zinc/53/46/25/493534625.db2.gz GOCDVEATSILKCM-UXLLHSPISA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245230 493534627 /nfs/dbraw/zinc/53/46/27/493534627.db2.gz GOCDVEATSILKCM-UXLLHSPISA-N 2 1 354.495 0.506 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721062 493534726 /nfs/dbraw/zinc/53/47/26/493534726.db2.gz PUAZULUPNFUFMI-MOPGFXCFSA-N 2 1 360.502 0.626 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755543 493539052 /nfs/dbraw/zinc/53/90/52/493539052.db2.gz CYWZHUSVPFWKAC-QYZOEREBSA-N 2 1 360.502 0.845 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755543 493539053 /nfs/dbraw/zinc/53/90/53/493539053.db2.gz CYWZHUSVPFWKAC-QYZOEREBSA-N 2 1 360.502 0.845 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755543 493539054 /nfs/dbraw/zinc/53/90/54/493539054.db2.gz CYWZHUSVPFWKAC-QYZOEREBSA-N 2 1 360.502 0.845 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662755457 493539126 /nfs/dbraw/zinc/53/91/26/493539126.db2.gz AUHVDFIUZSYKED-QZTJIDSGSA-N 2 1 362.474 0.615 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676307201 493544569 /nfs/dbraw/zinc/54/45/69/493544569.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 2 1 369.554 0.763 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676307201 493544571 /nfs/dbraw/zinc/54/45/71/493544571.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 3 1 369.554 0.763 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676307201 493544573 /nfs/dbraw/zinc/54/45/73/493544573.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676307201 493544575 /nfs/dbraw/zinc/54/45/75/493544575.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 3 1 369.554 0.763 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307201 493544578 /nfs/dbraw/zinc/54/45/78/493544578.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 3 1 369.554 0.763 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946168 493559178 /nfs/dbraw/zinc/55/91/78/493559178.db2.gz BBTBGSIEJXNOCM-AEFFLSMTSA-N 2 1 358.486 0.582 20 0 FCADMP CN(C(=O)C(=O)NCc1ccccn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670478570 493572389 /nfs/dbraw/zinc/57/23/89/493572389.db2.gz NRIZHHSOSVGCKG-QGZVFWFLSA-N 2 1 359.474 0.325 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000670526200 493577198 /nfs/dbraw/zinc/57/71/98/493577198.db2.gz WWRYIJAAJHJYQN-MRXNPFEDSA-N 2 1 371.441 0.742 20 0 FCADMP Cc1c(C(=O)NCC[NH+]2CCC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676948895 493579154 /nfs/dbraw/zinc/57/91/54/493579154.db2.gz NLEVABQEXRSQOT-UHFFFAOYSA-N 2 1 354.458 0.999 20 0 FCADMP Cc1c(C(=O)NCC[NH+]2CCC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676948895 493579156 /nfs/dbraw/zinc/57/91/56/493579156.db2.gz NLEVABQEXRSQOT-UHFFFAOYSA-N 2 1 354.458 0.999 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)c(N2CCCC2)[nH+]1 ZINC000670546109 493579520 /nfs/dbraw/zinc/57/95/20/493579520.db2.gz WSRWWLFWWPMVDF-UHFFFAOYSA-N 2 1 359.474 0.817 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607666 493580760 /nfs/dbraw/zinc/58/07/60/493580760.db2.gz BVYZFHSCMATYAZ-OALUTQOASA-N 2 1 372.513 0.876 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607667 493580891 /nfs/dbraw/zinc/58/08/91/493580891.db2.gz BVYZFHSCMATYAZ-RBUKOAKNSA-N 2 1 372.513 0.876 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670709365 493589402 /nfs/dbraw/zinc/58/94/02/493589402.db2.gz OTKDYOHWUTXAEA-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000670984502 493619651 /nfs/dbraw/zinc/61/96/51/493619651.db2.gz MYDYFULBNYEHSG-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000677912635 493623819 /nfs/dbraw/zinc/62/38/19/493623819.db2.gz UHOAQYNFUINNGT-CQSZACIVSA-N 2 1 370.475 0.168 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671033968 493625429 /nfs/dbraw/zinc/62/54/29/493625429.db2.gz ARHUQLQGZIAOMM-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671033968 493625432 /nfs/dbraw/zinc/62/54/32/493625432.db2.gz ARHUQLQGZIAOMM-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671033968 493625435 /nfs/dbraw/zinc/62/54/35/493625435.db2.gz ARHUQLQGZIAOMM-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671033968 493625438 /nfs/dbraw/zinc/62/54/38/493625438.db2.gz ARHUQLQGZIAOMM-IKGGRYGDSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000671033541 493625534 /nfs/dbraw/zinc/62/55/34/493625534.db2.gz XFUMZLIAWFXJHV-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000671033541 493625537 /nfs/dbraw/zinc/62/55/37/493625537.db2.gz XFUMZLIAWFXJHV-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000671033541 493625539 /nfs/dbraw/zinc/62/55/39/493625539.db2.gz XFUMZLIAWFXJHV-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000671033541 493625542 /nfs/dbraw/zinc/62/55/42/493625542.db2.gz XFUMZLIAWFXJHV-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671033970 493625574 /nfs/dbraw/zinc/62/55/74/493625574.db2.gz ARHUQLQGZIAOMM-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671033970 493625576 /nfs/dbraw/zinc/62/55/76/493625576.db2.gz ARHUQLQGZIAOMM-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671033970 493625577 /nfs/dbraw/zinc/62/55/77/493625577.db2.gz ARHUQLQGZIAOMM-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671033970 493625580 /nfs/dbraw/zinc/62/55/80/493625580.db2.gz ARHUQLQGZIAOMM-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080728 493633268 /nfs/dbraw/zinc/63/32/68/493633268.db2.gz GQRNZUPQNQKCOA-PMACEKPBSA-N 2 1 374.529 0.893 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@H](O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080728 493633270 /nfs/dbraw/zinc/63/32/70/493633270.db2.gz GQRNZUPQNQKCOA-PMACEKPBSA-N 2 1 374.529 0.893 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@H](O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080728 493633272 /nfs/dbraw/zinc/63/32/72/493633272.db2.gz GQRNZUPQNQKCOA-PMACEKPBSA-N 2 1 374.529 0.893 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671104247 493634157 /nfs/dbraw/zinc/63/41/57/493634157.db2.gz SSZVMCOKIMJPPA-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104278 493635013 /nfs/dbraw/zinc/63/50/13/493635013.db2.gz NABNNMGGTYPSLD-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671106646 493635966 /nfs/dbraw/zinc/63/59/66/493635966.db2.gz WSCXIQWPKNYPQQ-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671106646 493635967 /nfs/dbraw/zinc/63/59/67/493635967.db2.gz WSCXIQWPKNYPQQ-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671106646 493635970 /nfs/dbraw/zinc/63/59/70/493635970.db2.gz WSCXIQWPKNYPQQ-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671106646 493635973 /nfs/dbraw/zinc/63/59/73/493635973.db2.gz WSCXIQWPKNYPQQ-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181864 493647631 /nfs/dbraw/zinc/64/76/31/493647631.db2.gz SZWDSPWNPAWVEP-IRXDYDNUSA-N 2 1 357.458 0.473 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671365590 493660875 /nfs/dbraw/zinc/66/08/75/493660875.db2.gz AMEFNEKZNSCOLY-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671365590 493660876 /nfs/dbraw/zinc/66/08/76/493660876.db2.gz AMEFNEKZNSCOLY-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671407015 493667828 /nfs/dbraw/zinc/66/78/28/493667828.db2.gz SGLIJDDHCUYKJP-QEOTZNIISA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671407015 493667832 /nfs/dbraw/zinc/66/78/32/493667832.db2.gz SGLIJDDHCUYKJP-QEOTZNIISA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671407015 493667833 /nfs/dbraw/zinc/66/78/33/493667833.db2.gz SGLIJDDHCUYKJP-QEOTZNIISA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671407015 493667834 /nfs/dbraw/zinc/66/78/34/493667834.db2.gz SGLIJDDHCUYKJP-QEOTZNIISA-N 2 1 368.522 0.304 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)c(N2CCCC2)[nH+]1 ZINC000671418975 493669134 /nfs/dbraw/zinc/66/91/34/493669134.db2.gz MDXORZRQKUKHAY-UHFFFAOYSA-N 2 1 359.474 0.817 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)c(N2CCCC2)[nH+]1 ZINC000671418975 493669136 /nfs/dbraw/zinc/66/91/36/493669136.db2.gz MDXORZRQKUKHAY-UHFFFAOYSA-N 2 1 359.474 0.817 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679500495 493682972 /nfs/dbraw/zinc/68/29/72/493682972.db2.gz VHSGNTZFWMUVCF-UHFFFAOYSA-N 2 1 360.418 0.290 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679500495 493682974 /nfs/dbraw/zinc/68/29/74/493682974.db2.gz VHSGNTZFWMUVCF-UHFFFAOYSA-N 2 1 360.418 0.290 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253210 493706592 /nfs/dbraw/zinc/70/65/92/493706592.db2.gz KMLUSJIWZXPNGG-CBZIJGRNSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253210 493706594 /nfs/dbraw/zinc/70/65/94/493706594.db2.gz KMLUSJIWZXPNGG-CBZIJGRNSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253210 493706595 /nfs/dbraw/zinc/70/65/95/493706595.db2.gz KMLUSJIWZXPNGG-CBZIJGRNSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253210 493706597 /nfs/dbraw/zinc/70/65/97/493706597.db2.gz KMLUSJIWZXPNGG-CBZIJGRNSA-N 2 1 368.522 0.725 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671815761 493706902 /nfs/dbraw/zinc/70/69/02/493706902.db2.gz CNCOMQUOJDYTAX-NVXWUHKLSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671815761 493706905 /nfs/dbraw/zinc/70/69/05/493706905.db2.gz CNCOMQUOJDYTAX-NVXWUHKLSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671815761 493706907 /nfs/dbraw/zinc/70/69/07/493706907.db2.gz CNCOMQUOJDYTAX-NVXWUHKLSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000671960860 493718327 /nfs/dbraw/zinc/71/83/27/493718327.db2.gz KRJJTACDCZTMLP-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013575 493725089 /nfs/dbraw/zinc/72/50/89/493725089.db2.gz LRULFUDJBIRQCL-YOEHRIQHSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000665887248 493742541 /nfs/dbraw/zinc/74/25/41/493742541.db2.gz HRHJKNJICZDCAN-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672204773 493742900 /nfs/dbraw/zinc/74/29/00/493742900.db2.gz NUWLNODCBVJICQ-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672204773 493742901 /nfs/dbraw/zinc/74/29/01/493742901.db2.gz NUWLNODCBVJICQ-KRWDZBQOSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310090 493754345 /nfs/dbraw/zinc/75/43/45/493754345.db2.gz GKBJMKITNJELDD-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310090 493754346 /nfs/dbraw/zinc/75/43/46/493754346.db2.gz GKBJMKITNJELDD-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310090 493754347 /nfs/dbraw/zinc/75/43/47/493754347.db2.gz GKBJMKITNJELDD-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310252 493754360 /nfs/dbraw/zinc/75/43/60/493754360.db2.gz LTKOOWFGVOWBKI-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000666183563 493760994 /nfs/dbraw/zinc/76/09/94/493760994.db2.gz KLYZAGGKOGLXQT-HNNXBMFYSA-N 2 1 350.467 0.508 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1CC(C)(C)O ZINC000410846599 533795859 /nfs/dbraw/zinc/79/58/59/533795859.db2.gz ZWZKSQVXAOFDBQ-HNNXBMFYSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@H+]1CC(C)(C)O ZINC000410846599 533795867 /nfs/dbraw/zinc/79/58/67/533795867.db2.gz ZWZKSQVXAOFDBQ-HNNXBMFYSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000410557223 533796474 /nfs/dbraw/zinc/79/64/74/533796474.db2.gz MKLIZQGAEMXWCK-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000410557223 533796489 /nfs/dbraw/zinc/79/64/89/533796489.db2.gz MKLIZQGAEMXWCK-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C[C@@H]1[NH+](C)C ZINC000410529979 534283163 /nfs/dbraw/zinc/28/31/63/534283163.db2.gz VUWCGSKLZKKPKR-ZBFHGGJFSA-N 2 1 361.490 0.610 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410934688 527730830 /nfs/dbraw/zinc/73/08/30/527730830.db2.gz BQIWCZIFIJHTIR-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410934688 527730836 /nfs/dbraw/zinc/73/08/36/527730836.db2.gz BQIWCZIFIJHTIR-OAHLLOKOSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847519 527823177 /nfs/dbraw/zinc/82/31/77/527823177.db2.gz WOSFUWXOGWOSOL-SJLPKXTDSA-N 2 1 364.534 0.977 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937387 527824161 /nfs/dbraw/zinc/82/41/61/527824161.db2.gz KLYYFMAWMWEHIJ-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937387 527824165 /nfs/dbraw/zinc/82/41/65/527824165.db2.gz KLYYFMAWMWEHIJ-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937387 527824170 /nfs/dbraw/zinc/82/41/70/527824170.db2.gz KLYYFMAWMWEHIJ-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000410937387 527824172 /nfs/dbraw/zinc/82/41/72/527824172.db2.gz KLYYFMAWMWEHIJ-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000410494963 527824452 /nfs/dbraw/zinc/82/44/52/527824452.db2.gz UBDDVXZZYHRWTJ-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000410727410 527827483 /nfs/dbraw/zinc/82/74/83/527827483.db2.gz BANYIAGHTHGCGJ-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000410727410 527827488 /nfs/dbraw/zinc/82/74/88/527827488.db2.gz BANYIAGHTHGCGJ-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000410727410 527827495 /nfs/dbraw/zinc/82/74/95/527827495.db2.gz BANYIAGHTHGCGJ-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000410727410 527827501 /nfs/dbraw/zinc/82/75/01/527827501.db2.gz BANYIAGHTHGCGJ-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731985 527842571 /nfs/dbraw/zinc/84/25/71/527842571.db2.gz RBESLOJWDAVOJP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000410731985 527842576 /nfs/dbraw/zinc/84/25/76/527842576.db2.gz RBESLOJWDAVOJP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000410731985 527842582 /nfs/dbraw/zinc/84/25/82/527842582.db2.gz RBESLOJWDAVOJP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000410698458 527842625 /nfs/dbraw/zinc/84/26/25/527842625.db2.gz NPKAHRVROVJSMA-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000410698458 527842628 /nfs/dbraw/zinc/84/26/28/527842628.db2.gz NPKAHRVROVJSMA-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000410698458 527842632 /nfs/dbraw/zinc/84/26/32/527842632.db2.gz NPKAHRVROVJSMA-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000410698458 527842638 /nfs/dbraw/zinc/84/26/38/527842638.db2.gz NPKAHRVROVJSMA-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000186597209 527975458 /nfs/dbraw/zinc/97/54/58/527975458.db2.gz IAXUMRQTQQGDBY-VQIMIIECSA-N 2 1 363.506 0.884 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410914465 528064641 /nfs/dbraw/zinc/06/46/41/528064641.db2.gz ZDUUSYHMXXNPDB-INIZCTEOSA-N 2 1 370.538 0.480 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410914465 528064645 /nfs/dbraw/zinc/06/46/45/528064645.db2.gz ZDUUSYHMXXNPDB-INIZCTEOSA-N 2 1 370.538 0.480 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000410504691 528122893 /nfs/dbraw/zinc/12/28/93/528122893.db2.gz RVEIKDJWFVMBPQ-UHFFFAOYSA-N 2 1 356.511 0.356 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413265085 528343411 /nfs/dbraw/zinc/34/34/11/528343411.db2.gz KPMQITMYFDTXNW-UHFFFAOYSA-N 2 1 369.554 0.814 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000410733181 528713573 /nfs/dbraw/zinc/71/35/73/528713573.db2.gz OGBQXUFTSWVRTQ-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC[N@H+]1C ZINC000410733181 528713576 /nfs/dbraw/zinc/71/35/76/528713576.db2.gz OGBQXUFTSWVRTQ-INIZCTEOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000410697661 528738910 /nfs/dbraw/zinc/73/89/10/528738910.db2.gz LQSOYSHPPVZULF-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000410697661 528738912 /nfs/dbraw/zinc/73/89/12/528738912.db2.gz LQSOYSHPPVZULF-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410697661 528738914 /nfs/dbraw/zinc/73/89/14/528738914.db2.gz LQSOYSHPPVZULF-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410697661 528738917 /nfs/dbraw/zinc/73/89/17/528738917.db2.gz LQSOYSHPPVZULF-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000410433954 529030601 /nfs/dbraw/zinc/03/06/01/529030601.db2.gz MUHSKKVBWSONBV-MRXNPFEDSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C1 ZINC000178884647 529056649 /nfs/dbraw/zinc/05/66/49/529056649.db2.gz JEINGEXFAHZYAE-QGZVFWFLSA-N 2 1 352.523 0.759 20 0 FCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000436066443 534978534 /nfs/dbraw/zinc/97/85/34/534978534.db2.gz QWJAIHDRTRTBOO-CYBMUJFWSA-N 2 1 353.467 0.026 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000419154727 535081591 /nfs/dbraw/zinc/08/15/91/535081591.db2.gz QLLAEFSRWAIKMM-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660091 535186648 /nfs/dbraw/zinc/18/66/48/535186648.db2.gz JNJQXJGOXWMJPT-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000419851309 535210767 /nfs/dbraw/zinc/21/07/67/535210767.db2.gz NWYAKQYNXIGLRP-QGZVFWFLSA-N 2 1 361.490 0.476 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@H+]1C ZINC000419851309 535210770 /nfs/dbraw/zinc/21/07/70/535210770.db2.gz NWYAKQYNXIGLRP-QGZVFWFLSA-N 2 1 361.490 0.476 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000423714977 535438507 /nfs/dbraw/zinc/43/85/07/535438507.db2.gz GWMDWIKCTRBTAJ-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513602 535462718 /nfs/dbraw/zinc/46/27/18/535462718.db2.gz ZKNGOCHJDAQQTO-INIZCTEOSA-N 2 1 361.490 0.039 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935708 535556412 /nfs/dbraw/zinc/55/64/12/535556412.db2.gz ASHFIDWAAJEICT-BRWVUGGUSA-N 2 1 350.507 0.953 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423519787 535733548 /nfs/dbraw/zinc/73/35/48/535733548.db2.gz DPRSOGXUDMCJMT-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423519787 535733550 /nfs/dbraw/zinc/73/35/50/535733550.db2.gz DPRSOGXUDMCJMT-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423658411 535734012 /nfs/dbraw/zinc/73/40/12/535734012.db2.gz FXMDWTRFXIGYQN-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000423658411 535734017 /nfs/dbraw/zinc/73/40/17/535734017.db2.gz FXMDWTRFXIGYQN-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419422724 535780818 /nfs/dbraw/zinc/78/08/18/535780818.db2.gz XMUCYCRVHQDORC-QZTJIDSGSA-N 2 1 374.485 0.118 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419422724 535780820 /nfs/dbraw/zinc/78/08/20/535780820.db2.gz XMUCYCRVHQDORC-QZTJIDSGSA-N 2 1 374.485 0.118 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419152549 536368002 /nfs/dbraw/zinc/36/80/02/536368002.db2.gz ONSOEZFPFCUGDD-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000419152548 536368347 /nfs/dbraw/zinc/36/83/47/536368347.db2.gz ONSOEZFPFCUGDD-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419853338 536372616 /nfs/dbraw/zinc/37/26/16/536372616.db2.gz AOBYZWNWDAPJHS-GOSISDBHSA-N 2 1 373.501 0.121 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423701442 536400030 /nfs/dbraw/zinc/40/00/30/536400030.db2.gz WOUGCLKLFPXVHI-FXAWDEMLSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000423701442 536400032 /nfs/dbraw/zinc/40/00/32/536400032.db2.gz WOUGCLKLFPXVHI-FXAWDEMLSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163116 536417018 /nfs/dbraw/zinc/41/70/18/536417018.db2.gz JCXHCLHCRXJLFC-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423307358 536433620 /nfs/dbraw/zinc/43/36/20/536433620.db2.gz MZQIXRCMWMHJPP-ZWKOTPCHSA-N 2 1 374.485 0.153 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890988 536433714 /nfs/dbraw/zinc/43/37/14/536433714.db2.gz JEWLJOXTTGNBQA-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419757786 536481126 /nfs/dbraw/zinc/48/11/26/536481126.db2.gz DCZVMSZNVOINJK-MSOLQXFVSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C1CC1 ZINC000419761935 536481372 /nfs/dbraw/zinc/48/13/72/536481372.db2.gz LHCSDIJOCUJHGE-SFHVURJKSA-N 2 1 358.486 0.963 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419452401 536496371 /nfs/dbraw/zinc/49/63/71/536496371.db2.gz PGAWESRLGNXJRQ-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423602988 536775321 /nfs/dbraw/zinc/77/53/21/536775321.db2.gz GJWVWMBWJZZIKV-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC000948385692 674376248 /nfs/dbraw/zinc/37/62/48/674376248.db2.gz OMYJUBDFLSTVCG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC000948385692 674376249 /nfs/dbraw/zinc/37/62/49/674376249.db2.gz OMYJUBDFLSTVCG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC000948385692 674376251 /nfs/dbraw/zinc/37/62/51/674376251.db2.gz OMYJUBDFLSTVCG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)CC1 ZINC000328673719 546516660 /nfs/dbraw/zinc/51/66/60/546516660.db2.gz PLLAYQUKGOSGBP-SFHVURJKSA-N 2 1 352.523 0.460 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736268 546747697 /nfs/dbraw/zinc/74/76/97/546747697.db2.gz KWUFSMJDZJFEBM-LZWOXQAQSA-N 2 1 352.479 0.973 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015217 546771094 /nfs/dbraw/zinc/77/10/94/546771094.db2.gz XXGZCWPLDKPBGW-KSZLIROESA-N 2 1 350.459 0.814 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015217 546771101 /nfs/dbraw/zinc/77/11/01/546771101.db2.gz XXGZCWPLDKPBGW-KSZLIROESA-N 2 1 350.459 0.814 20 0 FCADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159295 546909804 /nfs/dbraw/zinc/90/98/04/546909804.db2.gz ZEKQHBTTYRBYMJ-KBPBESRZSA-N 2 1 360.449 0.810 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159295 546909808 /nfs/dbraw/zinc/90/98/08/546909808.db2.gz ZEKQHBTTYRBYMJ-KBPBESRZSA-N 2 1 360.449 0.810 20 0 FCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884092 547035164 /nfs/dbraw/zinc/03/51/64/547035164.db2.gz LRXIXWGAGAZPHE-CXAGYDPISA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000545884092 547035167 /nfs/dbraw/zinc/03/51/67/547035167.db2.gz LRXIXWGAGAZPHE-CXAGYDPISA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000545884092 547035173 /nfs/dbraw/zinc/03/51/73/547035173.db2.gz LRXIXWGAGAZPHE-CXAGYDPISA-N 2 1 352.504 0.861 20 0 FCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000545884092 547035180 /nfs/dbraw/zinc/03/51/80/547035180.db2.gz LRXIXWGAGAZPHE-CXAGYDPISA-N 2 1 352.504 0.861 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574186 547041543 /nfs/dbraw/zinc/04/15/43/547041543.db2.gz LDKBMPWQRSTOEI-KSSFIOAISA-N 2 1 355.479 0.223 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574186 547041549 /nfs/dbraw/zinc/04/15/49/547041549.db2.gz LDKBMPWQRSTOEI-KSSFIOAISA-N 2 1 355.479 0.223 20 0 FCADMP CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1c1ncc[nH]1 ZINC000548015826 547057188 /nfs/dbraw/zinc/05/71/88/547057188.db2.gz QADPLRLVGODAPQ-HNNXBMFYSA-N 2 1 350.467 0.520 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000548764276 547063444 /nfs/dbraw/zinc/06/34/44/547063444.db2.gz FYVGUQLBTIIZES-SJORKVTESA-N 2 1 354.495 0.461 20 0 FCADMP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000550783689 547104727 /nfs/dbraw/zinc/10/47/27/547104727.db2.gz IMXCLEASQPAZDS-INIZCTEOSA-N 2 1 370.563 0.780 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000550783689 547104733 /nfs/dbraw/zinc/10/47/33/547104733.db2.gz IMXCLEASQPAZDS-INIZCTEOSA-N 2 1 370.563 0.780 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043025 547122369 /nfs/dbraw/zinc/12/23/69/547122369.db2.gz RIWVJDZGYACGPN-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000551043025 547122373 /nfs/dbraw/zinc/12/23/73/547122373.db2.gz RIWVJDZGYACGPN-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000551043025 547122374 /nfs/dbraw/zinc/12/23/74/547122374.db2.gz RIWVJDZGYACGPN-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280335 547138996 /nfs/dbraw/zinc/13/89/96/547138996.db2.gz NUVMHUMKSJCSFL-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000552939856 547241727 /nfs/dbraw/zinc/24/17/27/547241727.db2.gz ZGSLBAFDZVVHCD-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000552939856 547241730 /nfs/dbraw/zinc/24/17/30/547241730.db2.gz ZGSLBAFDZVVHCD-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000552939856 547241732 /nfs/dbraw/zinc/24/17/32/547241732.db2.gz ZGSLBAFDZVVHCD-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000552939856 547241735 /nfs/dbraw/zinc/24/17/35/547241735.db2.gz ZGSLBAFDZVVHCD-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000553093269 547253535 /nfs/dbraw/zinc/25/35/35/547253535.db2.gz AUCHGTOMZRAZNN-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000553093269 547253538 /nfs/dbraw/zinc/25/35/38/547253538.db2.gz AUCHGTOMZRAZNN-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000553093269 547253541 /nfs/dbraw/zinc/25/35/41/547253541.db2.gz AUCHGTOMZRAZNN-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000553367730 547273826 /nfs/dbraw/zinc/27/38/26/547273826.db2.gz YQZVVPKWJPFWKI-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000553367730 547273829 /nfs/dbraw/zinc/27/38/29/547273829.db2.gz YQZVVPKWJPFWKI-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000553367730 547273835 /nfs/dbraw/zinc/27/38/35/547273835.db2.gz YQZVVPKWJPFWKI-LSDHHAIUSA-N 2 1 354.495 0.202 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000654372077 547321819 /nfs/dbraw/zinc/32/18/19/547321819.db2.gz BJEDVZXJZWUQLA-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000736767798 598890301 /nfs/dbraw/zinc/89/03/01/598890301.db2.gz SHQPNSPTVDMVRE-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736568996 599028550 /nfs/dbraw/zinc/02/85/50/599028550.db2.gz FPWUFHSZLJSUTB-OAHLLOKOSA-N 2 1 372.477 0.750 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000736767896 598287364 /nfs/dbraw/zinc/28/73/64/598287364.db2.gz TXWPKGXYZJFSBD-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736573530 598463648 /nfs/dbraw/zinc/46/36/48/598463648.db2.gz ZKUJMDPFONFRBS-OAHLLOKOSA-N 2 1 372.477 0.750 20 0 FCADMP CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCCC1 ZINC000735711277 598521537 /nfs/dbraw/zinc/52/15/37/598521537.db2.gz XOJQHVKBCKXZLG-ZFWWWQNUSA-N 2 1 359.482 0.815 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882868 598530317 /nfs/dbraw/zinc/53/03/17/598530317.db2.gz USAOZUIWUSNSAN-KBPBESRZSA-N 2 1 359.482 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000951153966 674450488 /nfs/dbraw/zinc/45/04/88/674450488.db2.gz QYFWBEVAYKHIEL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000951153966 674450489 /nfs/dbraw/zinc/45/04/89/674450489.db2.gz QYFWBEVAYKHIEL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000951153966 674450491 /nfs/dbraw/zinc/45/04/91/674450491.db2.gz QYFWBEVAYKHIEL-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736859205 599355432 /nfs/dbraw/zinc/35/54/32/599355432.db2.gz XMDHLDOTIMFGOD-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736859205 599355434 /nfs/dbraw/zinc/35/54/34/599355434.db2.gz XMDHLDOTIMFGOD-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000736859205 599355436 /nfs/dbraw/zinc/35/54/36/599355436.db2.gz XMDHLDOTIMFGOD-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP C[C@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245804044 674491681 /nfs/dbraw/zinc/49/16/81/674491681.db2.gz LJIRCMWEMCADNC-QLFBSQMISA-N 2 1 359.536 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000954411742 674496877 /nfs/dbraw/zinc/49/68/77/674496877.db2.gz UZEYNTJVWXBSBY-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954490564 674498159 /nfs/dbraw/zinc/49/81/59/674498159.db2.gz AHMUTEZKWFQKSR-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954490564 674498161 /nfs/dbraw/zinc/49/81/61/674498161.db2.gz AHMUTEZKWFQKSR-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954490564 674498164 /nfs/dbraw/zinc/49/81/64/674498164.db2.gz AHMUTEZKWFQKSR-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000955342543 674511281 /nfs/dbraw/zinc/51/12/81/674511281.db2.gz YUIQVCBTKLAYJY-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC000955342543 674511285 /nfs/dbraw/zinc/51/12/85/674511285.db2.gz YUIQVCBTKLAYJY-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC000955342543 674511287 /nfs/dbraw/zinc/51/12/87/674511287.db2.gz YUIQVCBTKLAYJY-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000957013856 674533584 /nfs/dbraw/zinc/53/35/84/674533584.db2.gz KVZZDDAUFLLVTH-IDHHARJASA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000957013856 674533585 /nfs/dbraw/zinc/53/35/85/674533585.db2.gz KVZZDDAUFLLVTH-IDHHARJASA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000957013856 674533586 /nfs/dbraw/zinc/53/35/86/674533586.db2.gz KVZZDDAUFLLVTH-IDHHARJASA-N 2 1 350.507 0.918 20 0 FCADMP CN(CC[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000826023028 608418585 /nfs/dbraw/zinc/41/85/85/608418585.db2.gz VZSWPKDZLYQALD-SFHVURJKSA-N 2 1 373.505 0.858 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826034413 608509823 /nfs/dbraw/zinc/50/98/23/608509823.db2.gz QDHXPYVMZNVAIQ-QGZVFWFLSA-N 2 1 369.473 0.998 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000989478820 665817213 /nfs/dbraw/zinc/81/72/13/665817213.db2.gz PUXUZDIVTHXUKF-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898590524 665887559 /nfs/dbraw/zinc/88/75/59/665887559.db2.gz JMZCJYLWQMMWMJ-UHFFFAOYSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898590524 665887562 /nfs/dbraw/zinc/88/75/62/665887562.db2.gz JMZCJYLWQMMWMJ-UHFFFAOYSA-N 2 1 356.511 0.707 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990760834 665930084 /nfs/dbraw/zinc/93/00/84/665930084.db2.gz HJCSLMPUZWKXLA-KCYZZUKISA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990760834 665930086 /nfs/dbraw/zinc/93/00/86/665930086.db2.gz HJCSLMPUZWKXLA-KCYZZUKISA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760834 665930088 /nfs/dbraw/zinc/93/00/88/665930088.db2.gz HJCSLMPUZWKXLA-KCYZZUKISA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760834 665930089 /nfs/dbraw/zinc/93/00/89/665930089.db2.gz HJCSLMPUZWKXLA-KCYZZUKISA-N 2 1 357.520 0.484 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990765016 665931699 /nfs/dbraw/zinc/93/16/99/665931699.db2.gz ROFVUYQTEYLCAM-UIBIWLFHSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990765016 665931700 /nfs/dbraw/zinc/93/17/00/665931700.db2.gz ROFVUYQTEYLCAM-UIBIWLFHSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765016 665931702 /nfs/dbraw/zinc/93/17/02/665931702.db2.gz ROFVUYQTEYLCAM-UIBIWLFHSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765016 665931703 /nfs/dbraw/zinc/93/17/03/665931703.db2.gz ROFVUYQTEYLCAM-UIBIWLFHSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001022105227 663404731 /nfs/dbraw/zinc/40/47/31/663404731.db2.gz VKHRDKQJIZLEMQ-DGXTUMSLSA-N 2 1 357.520 0.388 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000891484643 663409177 /nfs/dbraw/zinc/40/91/77/663409177.db2.gz HQXBWUWCMGVKEH-KFWWJZLASA-N 2 1 353.467 0.293 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000891952905 663454527 /nfs/dbraw/zinc/45/45/27/663454527.db2.gz LHUXGWMSSWZEJN-WKILWMFISA-N 2 1 354.495 0.685 20 0 FCADMP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892135155 663480641 /nfs/dbraw/zinc/48/06/41/663480641.db2.gz MYXXKTYNNFIYNF-SJORKVTESA-N 2 1 355.527 0.600 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000947507572 663519342 /nfs/dbraw/zinc/51/93/42/663519342.db2.gz PXMMFXCAZDYSNP-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000947507572 663519343 /nfs/dbraw/zinc/51/93/43/663519343.db2.gz PXMMFXCAZDYSNP-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000947507572 663519345 /nfs/dbraw/zinc/51/93/45/663519345.db2.gz PXMMFXCAZDYSNP-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001024446395 663943772 /nfs/dbraw/zinc/94/37/72/663943772.db2.gz DBDMKZUREHBSNG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001024446395 663943774 /nfs/dbraw/zinc/94/37/74/663943774.db2.gz DBDMKZUREHBSNG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001024446395 663943778 /nfs/dbraw/zinc/94/37/78/663943778.db2.gz DBDMKZUREHBSNG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001024446395 663943779 /nfs/dbraw/zinc/94/37/79/663943779.db2.gz DBDMKZUREHBSNG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2Cc2cnnn2C)O1 ZINC001024506316 663956896 /nfs/dbraw/zinc/95/68/96/663956896.db2.gz KKKFIAQQRKESEQ-IIAWOOMASA-N 2 1 350.467 0.005 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2Cc2cnnn2C)O1 ZINC001024506316 663956898 /nfs/dbraw/zinc/95/68/98/663956898.db2.gz KKKFIAQQRKESEQ-IIAWOOMASA-N 2 1 350.467 0.005 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000892760538 664138682 /nfs/dbraw/zinc/13/86/82/664138682.db2.gz UIVGEBFTIMKCEL-HOTGVXAUSA-N 2 1 354.495 0.291 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000892919282 664154696 /nfs/dbraw/zinc/15/46/96/664154696.db2.gz LBXYSPHVGXMYDY-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025793924 664192041 /nfs/dbraw/zinc/19/20/41/664192041.db2.gz BKCNXKIGMISCBD-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025793924 664192043 /nfs/dbraw/zinc/19/20/43/664192043.db2.gz BKCNXKIGMISCBD-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025793924 664192047 /nfs/dbraw/zinc/19/20/47/664192047.db2.gz BKCNXKIGMISCBD-KPLDXPABSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnnn3C)CC2)O1 ZINC001026514748 664239832 /nfs/dbraw/zinc/23/98/32/664239832.db2.gz QOKBIOPJRKZHCR-UWLZSVRSSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnnn3C)CC2)O1 ZINC001026514748 664239835 /nfs/dbraw/zinc/23/98/35/664239835.db2.gz QOKBIOPJRKZHCR-UWLZSVRSSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001026851599 664271052 /nfs/dbraw/zinc/27/10/52/664271052.db2.gz DWDNBBWZPGDFSZ-HZSPNIEDSA-N 2 1 366.535 0.882 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001026851599 664271056 /nfs/dbraw/zinc/27/10/56/664271056.db2.gz DWDNBBWZPGDFSZ-HZSPNIEDSA-N 2 1 366.535 0.882 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001026916701 664277153 /nfs/dbraw/zinc/27/71/53/664277153.db2.gz MOUYINBQNDIFAH-JKIFEVAISA-N 2 1 350.438 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001026916701 664277154 /nfs/dbraw/zinc/27/71/54/664277154.db2.gz MOUYINBQNDIFAH-JKIFEVAISA-N 2 1 350.438 0.878 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1C ZINC000893501664 664419868 /nfs/dbraw/zinc/41/98/68/664419868.db2.gz PCAQWJJLTLNQSS-GJZGRUSLSA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n1C ZINC000893501664 664419869 /nfs/dbraw/zinc/41/98/69/664419869.db2.gz PCAQWJJLTLNQSS-GJZGRUSLSA-N 2 1 350.467 0.227 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000981199956 664817785 /nfs/dbraw/zinc/81/77/85/664817785.db2.gz GSQRBEGTLOKKMK-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000981199956 664817788 /nfs/dbraw/zinc/81/77/88/664817788.db2.gz GSQRBEGTLOKKMK-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000981199956 664817792 /nfs/dbraw/zinc/81/77/92/664817792.db2.gz GSQRBEGTLOKKMK-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000981199956 664817797 /nfs/dbraw/zinc/81/77/97/664817797.db2.gz GSQRBEGTLOKKMK-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H](C)C(=O)NC)C3)CC[N@H+]1C ZINC000981778820 664839574 /nfs/dbraw/zinc/83/95/74/664839574.db2.gz RRUIYUQBZQFBGZ-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(=O)NC)C3)CC[NH+]1C ZINC000981778820 664839578 /nfs/dbraw/zinc/83/95/78/664839578.db2.gz RRUIYUQBZQFBGZ-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(=O)NC)C3)CC[NH+]1C ZINC000981778820 664839583 /nfs/dbraw/zinc/83/95/83/664839583.db2.gz RRUIYUQBZQFBGZ-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C[C@H]2C1 ZINC000893739471 664873044 /nfs/dbraw/zinc/87/30/44/664873044.db2.gz BCIBADZUXNZJRQ-MVJTYMMSSA-N 2 1 350.507 0.957 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894163738 664901992 /nfs/dbraw/zinc/90/19/92/664901992.db2.gz GQGNDYMXDOYLGB-IRXDYDNUSA-N 2 1 356.511 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000982779688 664911920 /nfs/dbraw/zinc/91/19/20/664911920.db2.gz UWBZMTQSRHPYIQ-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1csc(=O)n1CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038402423 664942452 /nfs/dbraw/zinc/94/24/52/664942452.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 1 368.503 0.128 20 0 FCADMP Cc1csc(=O)n1CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038402423 664942455 /nfs/dbraw/zinc/94/24/55/664942455.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 1 368.503 0.128 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC000983714339 664985463 /nfs/dbraw/zinc/98/54/63/664985463.db2.gz PYNNDMDOWJIJLG-YYFQZIEXSA-N 2 1 350.463 0.006 20 0 FCADMP C[C@@H]([NH2+]Cc1cnon1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112114 664986482 /nfs/dbraw/zinc/98/64/82/664986482.db2.gz VRUSIGJJHUNSJE-XJKCOSOUSA-N 2 1 351.451 0.505 20 0 FCADMP C[C@@H]([NH2+]Cc1cnon1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112114 664986483 /nfs/dbraw/zinc/98/64/83/664986483.db2.gz VRUSIGJJHUNSJE-XJKCOSOUSA-N 2 1 351.451 0.505 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000983807137 664997718 /nfs/dbraw/zinc/99/77/18/664997718.db2.gz UGUOBLKGZVHKNA-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC(CC)[NH2+]CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895300095 665036301 /nfs/dbraw/zinc/03/63/01/665036301.db2.gz XNGQIMADPHIOBL-UHFFFAOYSA-N 2 1 356.511 0.945 20 0 FCADMP CC[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000896730505 665104745 /nfs/dbraw/zinc/10/47/45/665104745.db2.gz RGNGEHUUFOPDEL-MAUKXSAKSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000985065713 665130072 /nfs/dbraw/zinc/13/00/72/665130072.db2.gz MFQWYKMYJPCFJO-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987964376 665271838 /nfs/dbraw/zinc/27/18/38/665271838.db2.gz SVVXQGAPVUTECW-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988084570 665274540 /nfs/dbraw/zinc/27/45/40/665274540.db2.gz FEFWJZWGCQZQOV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000897458548 665289362 /nfs/dbraw/zinc/28/93/62/665289362.db2.gz AVDMEQZIJSBSJO-INIZCTEOSA-N 2 1 353.511 0.620 20 0 FCADMP C[C@@H]1C[NH+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C[C@@H](C)O1 ZINC000925275380 665290336 /nfs/dbraw/zinc/29/03/36/665290336.db2.gz RLVZFWWBYCULTH-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000897505763 665296620 /nfs/dbraw/zinc/29/66/20/665296620.db2.gz PSLLMRHOPSOQFO-INIZCTEOSA-N 2 1 353.511 0.762 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338847 666020506 /nfs/dbraw/zinc/02/05/06/666020506.db2.gz AGJJXVNSQIKCMZ-CALCHBBNSA-N 2 1 372.579 0.806 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000910891892 666289483 /nfs/dbraw/zinc/28/94/83/666289483.db2.gz HLJQXEFVPIBJBQ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000910891892 666289486 /nfs/dbraw/zinc/28/94/86/666289486.db2.gz HLJQXEFVPIBJBQ-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000910894313 666289689 /nfs/dbraw/zinc/28/96/89/666289689.db2.gz ZHFDRGBZCHRXHT-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000910894313 666289690 /nfs/dbraw/zinc/28/96/90/666289690.db2.gz ZHFDRGBZCHRXHT-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000910894313 666289691 /nfs/dbraw/zinc/28/96/91/666289691.db2.gz ZHFDRGBZCHRXHT-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000910894313 666289692 /nfs/dbraw/zinc/28/96/92/666289692.db2.gz ZHFDRGBZCHRXHT-VQIMIIECSA-N 2 1 350.507 0.729 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911033691 666307150 /nfs/dbraw/zinc/30/71/50/666307150.db2.gz JQUXVUIOVAPLPB-PMPSAXMXSA-N 2 1 354.495 0.189 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000912013663 666387831 /nfs/dbraw/zinc/38/78/31/666387831.db2.gz YDVBUBLNBYZRHT-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000912013663 666387833 /nfs/dbraw/zinc/38/78/33/666387833.db2.gz YDVBUBLNBYZRHT-INIZCTEOSA-N 2 1 353.511 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000938549587 666469447 /nfs/dbraw/zinc/46/94/47/666469447.db2.gz UEZHTNGWECUYMC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939887563 666531073 /nfs/dbraw/zinc/53/10/73/666531073.db2.gz QRFUDPBUXRAJRH-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886821 666531207 /nfs/dbraw/zinc/53/12/07/666531207.db2.gz BMQQIISIQKEGOT-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000940764292 666560625 /nfs/dbraw/zinc/56/06/25/666560625.db2.gz AASCPCZDCQRIDI-DMRKSPOLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000940764292 666560627 /nfs/dbraw/zinc/56/06/27/666560627.db2.gz AASCPCZDCQRIDI-DMRKSPOLSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000940764292 666560630 /nfs/dbraw/zinc/56/06/30/666560630.db2.gz AASCPCZDCQRIDI-DMRKSPOLSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992316163 666633308 /nfs/dbraw/zinc/63/33/08/666633308.db2.gz AKYKZIVHTATZAZ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992316163 666633310 /nfs/dbraw/zinc/63/33/10/666633310.db2.gz AKYKZIVHTATZAZ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992316163 666633313 /nfs/dbraw/zinc/63/33/13/666633313.db2.gz AKYKZIVHTATZAZ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000734274698 666958571 /nfs/dbraw/zinc/95/85/71/666958571.db2.gz LIYDVCQENMZMIR-RDJZCZTQSA-N 2 1 354.495 0.602 20 0 FCADMP C[N@H+](CCCO)C1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000734308892 666960899 /nfs/dbraw/zinc/96/08/99/666960899.db2.gz KBCVQUVCVCQFEY-UHFFFAOYSA-N 2 1 358.552 0.362 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000734308892 666960900 /nfs/dbraw/zinc/96/09/00/666960900.db2.gz KBCVQUVCVCQFEY-UHFFFAOYSA-N 2 1 358.552 0.362 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCCN2CCOCC2)CC1 ZINC000919719302 667197209 /nfs/dbraw/zinc/19/72/09/667197209.db2.gz XMTCZGNVZBXRRG-UHFFFAOYSA-N 2 1 364.519 0.452 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000999189680 667230234 /nfs/dbraw/zinc/23/02/34/667230234.db2.gz MVNSVGYJURJHHX-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000999199521 667230719 /nfs/dbraw/zinc/23/07/19/667230719.db2.gz HKYZRVXXLJKYHD-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985429 667258733 /nfs/dbraw/zinc/25/87/33/667258733.db2.gz CCELKIWSWYYTPI-VNQPRFMTSA-N 2 1 350.467 0.128 20 0 FCADMP COCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985429 667258734 /nfs/dbraw/zinc/25/87/34/667258734.db2.gz CCELKIWSWYYTPI-VNQPRFMTSA-N 2 1 350.467 0.128 20 0 FCADMP COCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985429 667258737 /nfs/dbraw/zinc/25/87/37/667258737.db2.gz CCELKIWSWYYTPI-VNQPRFMTSA-N 2 1 350.467 0.128 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C2)CC[N@@H+]1C ZINC001031684471 667266943 /nfs/dbraw/zinc/26/69/43/667266943.db2.gz OZCSMRJNOAXZRC-GVDBMIGSSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C2)CC[N@H+]1C ZINC001031684471 667266947 /nfs/dbraw/zinc/26/69/47/667266947.db2.gz OZCSMRJNOAXZRC-GVDBMIGSSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001002259200 667528390 /nfs/dbraw/zinc/52/83/90/667528390.db2.gz ZTGDPHOFYRFFJV-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002460329 667543182 /nfs/dbraw/zinc/54/31/82/667543182.db2.gz DCKYIQBTELMMRL-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002460329 667543184 /nfs/dbraw/zinc/54/31/84/667543184.db2.gz DCKYIQBTELMMRL-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002460329 667543188 /nfs/dbraw/zinc/54/31/88/667543188.db2.gz DCKYIQBTELMMRL-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001002530182 667546513 /nfs/dbraw/zinc/54/65/13/667546513.db2.gz UPQIOSMWVYIIIH-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000922349311 667643121 /nfs/dbraw/zinc/64/31/21/667643121.db2.gz SDBIVXLTQZHVCL-FGTMMUONSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922349311 667643125 /nfs/dbraw/zinc/64/31/25/667643125.db2.gz SDBIVXLTQZHVCL-FGTMMUONSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922349311 667643127 /nfs/dbraw/zinc/64/31/27/667643127.db2.gz SDBIVXLTQZHVCL-FGTMMUONSA-N 2 1 352.523 0.772 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001033835318 667739137 /nfs/dbraw/zinc/73/91/37/667739137.db2.gz XVTCKFAZAMUKIP-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001033835318 667739140 /nfs/dbraw/zinc/73/91/40/667739140.db2.gz XVTCKFAZAMUKIP-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001033835318 667739145 /nfs/dbraw/zinc/73/91/45/667739145.db2.gz XVTCKFAZAMUKIP-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001033835318 667739150 /nfs/dbraw/zinc/73/91/50/667739150.db2.gz XVTCKFAZAMUKIP-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001034567974 667761263 /nfs/dbraw/zinc/76/12/63/667761263.db2.gz CEMYLITXEXIOTC-GVDBMIGSSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922983429 667797160 /nfs/dbraw/zinc/79/71/60/667797160.db2.gz IQOHKRNRMGYLRV-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nnc[nH]1 ZINC000923141937 667808637 /nfs/dbraw/zinc/80/86/37/667808637.db2.gz FYFJCZSTWSDHEW-OAHLLOKOSA-N 2 1 351.499 0.795 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nc[nH]n1 ZINC000923141937 667808638 /nfs/dbraw/zinc/80/86/38/667808638.db2.gz FYFJCZSTWSDHEW-OAHLLOKOSA-N 2 1 351.499 0.795 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1nc[nH]n1 ZINC000923141937 667808642 /nfs/dbraw/zinc/80/86/42/667808642.db2.gz FYFJCZSTWSDHEW-OAHLLOKOSA-N 2 1 351.499 0.795 20 0 FCADMP CCc1nocc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961992701 674853250 /nfs/dbraw/zinc/85/32/50/674853250.db2.gz ZJXKGWKEIRLAKX-ZHOLYQSMSA-N 2 1 350.463 0.941 20 0 FCADMP CCc1nocc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961992701 674853252 /nfs/dbraw/zinc/85/32/52/674853252.db2.gz ZJXKGWKEIRLAKX-ZHOLYQSMSA-N 2 1 350.463 0.941 20 0 FCADMP CC[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000923589588 667853133 /nfs/dbraw/zinc/85/31/33/667853133.db2.gz QRNQMBDITYTYIO-QGZVFWFLSA-N 2 1 352.504 0.563 20 0 FCADMP O=C(C[NH2+][C@H](CCO)C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000771797664 668274642 /nfs/dbraw/zinc/27/46/42/668274642.db2.gz BOFAOZKTUQBWTA-QGZVFWFLSA-N 2 1 353.507 0.888 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000808775557 669586083 /nfs/dbraw/zinc/58/60/83/669586083.db2.gz DPQGFOXVFBWDET-RDJZCZTQSA-N 2 1 361.552 0.825 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000808775557 669586086 /nfs/dbraw/zinc/58/60/86/669586086.db2.gz DPQGFOXVFBWDET-RDJZCZTQSA-N 2 1 361.552 0.825 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)CC1 ZINC000810040864 669658471 /nfs/dbraw/zinc/65/84/71/669658471.db2.gz YCFPIBKCKVWEBV-MRXNPFEDSA-N 2 1 352.479 0.894 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)CC1 ZINC000810040864 669658474 /nfs/dbraw/zinc/65/84/74/669658474.db2.gz YCFPIBKCKVWEBV-MRXNPFEDSA-N 2 1 352.479 0.894 20 0 FCADMP CSC1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+](C)CC1 ZINC000811876804 669777139 /nfs/dbraw/zinc/77/71/39/669777139.db2.gz ZZVZHYXGRGVGRM-CABCVRRESA-N 2 1 356.536 0.976 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000840266942 669815190 /nfs/dbraw/zinc/81/51/90/669815190.db2.gz HHQPVUMEPVJRLN-MRXNPFEDSA-N 2 1 356.511 0.849 20 0 FCADMP CON(C)C(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000812870580 669819081 /nfs/dbraw/zinc/81/90/81/669819081.db2.gz NIDIJWPIWYBZPF-UHFFFAOYSA-N 2 1 354.495 0.707 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817936757 670049324 /nfs/dbraw/zinc/04/93/24/670049324.db2.gz VGZDANCGGPFGDR-LJQANCHMSA-N 2 1 350.507 0.920 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)NC(=O)N[C@@H]1C ZINC000818340511 670097691 /nfs/dbraw/zinc/09/76/91/670097691.db2.gz OMMNWSINEIUVBA-CHWSQXEVSA-N 2 1 350.463 0.969 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841173140 670538782 /nfs/dbraw/zinc/53/87/82/670538782.db2.gz GDMZNVFAHROWJL-LBPRGKRZSA-N 2 1 367.881 0.836 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841230425 670542568 /nfs/dbraw/zinc/54/25/68/670542568.db2.gz QDNBYNRUMJFGBK-NSHDSACASA-N 2 1 353.854 0.494 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000842050239 670630185 /nfs/dbraw/zinc/63/01/85/670630185.db2.gz RTKTZTHMPYGMJH-BEFAXECRSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000843205177 670780391 /nfs/dbraw/zinc/78/03/91/670780391.db2.gz XBJDLFLNJPCPGD-NSHDSACASA-N 2 1 353.448 0.986 20 0 FCADMP C[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843353504 670804049 /nfs/dbraw/zinc/80/40/49/670804049.db2.gz KJDGZSDWVSBLCG-STQMWFEESA-N 2 1 351.451 0.332 20 0 FCADMP CCCN(C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363593 670806996 /nfs/dbraw/zinc/80/69/96/670806996.db2.gz ATWRFKYHPJWZJL-HZPDHXFCSA-N 2 1 371.547 0.876 20 0 FCADMP CCCN(C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363593 670806999 /nfs/dbraw/zinc/80/69/99/670806999.db2.gz ATWRFKYHPJWZJL-HZPDHXFCSA-N 2 1 371.547 0.876 20 0 FCADMP CCCN(C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363591 670807449 /nfs/dbraw/zinc/80/74/49/670807449.db2.gz ATWRFKYHPJWZJL-CVEARBPZSA-N 2 1 371.547 0.876 20 0 FCADMP CCCN(C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363591 670807457 /nfs/dbraw/zinc/80/74/57/670807457.db2.gz ATWRFKYHPJWZJL-CVEARBPZSA-N 2 1 371.547 0.876 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)Cc1ccncc1)[C@@]1(F)CC[NH2+]C1 ZINC000843487600 670829859 /nfs/dbraw/zinc/82/98/59/670829859.db2.gz JHSZKFYQGGPIEK-GOSISDBHSA-N 2 1 350.438 0.834 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844190297 670908664 /nfs/dbraw/zinc/90/86/64/670908664.db2.gz DRVDODADGAFHGW-HOTGVXAUSA-N 2 1 366.531 0.921 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000846032415 671071583 /nfs/dbraw/zinc/07/15/83/671071583.db2.gz AAGGTOUAZMKXHC-ZNMIVQPWSA-N 2 1 354.495 0.851 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000968019148 675178582 /nfs/dbraw/zinc/17/85/82/675178582.db2.gz RYOAOJIKRMAUFY-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000968019148 675178586 /nfs/dbraw/zinc/17/85/86/675178586.db2.gz RYOAOJIKRMAUFY-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000968019148 675178588 /nfs/dbraw/zinc/17/85/88/675178588.db2.gz RYOAOJIKRMAUFY-BBWFWOEESA-N 2 1 350.507 0.870 20 0 FCADMP CCOC(=O)CC[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C(C)C ZINC000848500879 671280986 /nfs/dbraw/zinc/28/09/86/671280986.db2.gz CBCVCYIYAXSWRT-UHFFFAOYSA-N 2 1 354.451 0.624 20 0 FCADMP CCOC(=O)CC[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C(C)C ZINC000848500879 671280987 /nfs/dbraw/zinc/28/09/87/671280987.db2.gz CBCVCYIYAXSWRT-UHFFFAOYSA-N 2 1 354.451 0.624 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051250 671316185 /nfs/dbraw/zinc/31/61/85/671316185.db2.gz CSLIROYUTHFPTP-CHWSQXEVSA-N 2 1 351.417 0.848 20 0 FCADMP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000849111026 671318407 /nfs/dbraw/zinc/31/84/07/671318407.db2.gz FZMAROIQIZSKFF-AWEZNQCLSA-N 2 1 356.515 0.509 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852063886 671484908 /nfs/dbraw/zinc/48/49/08/671484908.db2.gz SZBWARRHIFKCGG-YESZJQIVSA-N 2 1 352.479 0.402 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CCOC3=O)CC2)CC1 ZINC000852723415 671519400 /nfs/dbraw/zinc/51/94/00/671519400.db2.gz TXYVRGRORRIGMO-UHFFFAOYSA-N 2 1 352.479 0.892 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511479 675936013 /nfs/dbraw/zinc/93/60/13/675936013.db2.gz VFFOVGIQILTARJ-OWLYRPNTSA-N 2 1 350.507 0.571 20 0 FCADMP C[Si](C)(CC[NH+]1CCOC[C@H]1CCO)CC[N@H+]1CCOC[C@@H]1CCO ZINC000859216450 671801625 /nfs/dbraw/zinc/80/16/25/671801625.db2.gz JLXATLFCKGUHAF-HDICACEKSA-N 2 1 374.598 0.861 20 0 FCADMP C[Si](C)(CC[NH+]1CCOC[C@@H]1CCO)CC[N@@H+]1CCOC[C@H]1CCO ZINC000859216450 671801628 /nfs/dbraw/zinc/80/16/28/671801628.db2.gz JLXATLFCKGUHAF-HDICACEKSA-N 2 1 374.598 0.861 20 0 FCADMP C[Si](C)(CC[NH+]1CCOC[C@@H]1CCO)CC[N@H+]1CCOC[C@H]1CCO ZINC000859216450 671801634 /nfs/dbraw/zinc/80/16/34/671801634.db2.gz JLXATLFCKGUHAF-HDICACEKSA-N 2 1 374.598 0.861 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](NC(N)=O)C1)CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000859218240 671801671 /nfs/dbraw/zinc/80/16/71/671801671.db2.gz JJVISDGMOFJDEV-OKILXGFUSA-N 2 1 370.574 0.180 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](NC(N)=O)C1)CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000859218240 671801675 /nfs/dbraw/zinc/80/16/75/671801675.db2.gz JJVISDGMOFJDEV-OKILXGFUSA-N 2 1 370.574 0.180 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](NC(N)=O)C1)CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000859218240 671801677 /nfs/dbraw/zinc/80/16/77/671801677.db2.gz JJVISDGMOFJDEV-OKILXGFUSA-N 2 1 370.574 0.180 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000861742346 671989576 /nfs/dbraw/zinc/98/95/76/671989576.db2.gz GVEMYLTULVMVNG-ZIAGYGMSSA-N 2 1 352.504 0.882 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000865942800 672257477 /nfs/dbraw/zinc/25/74/77/672257477.db2.gz CFSWBCHIRBTFRV-SYQHCUMBSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000865942800 672257481 /nfs/dbraw/zinc/25/74/81/672257481.db2.gz CFSWBCHIRBTFRV-SYQHCUMBSA-N 2 1 360.449 0.820 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000865942800 672257485 /nfs/dbraw/zinc/25/74/85/672257485.db2.gz CFSWBCHIRBTFRV-SYQHCUMBSA-N 2 1 360.449 0.820 20 0 FCADMP C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000923619678 672489484 /nfs/dbraw/zinc/48/94/84/672489484.db2.gz KHBGWNUVMWPBBK-ZFWWWQNUSA-N 2 1 358.533 0.871 20 0 FCADMP CS[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583663 676025283 /nfs/dbraw/zinc/02/52/83/676025283.db2.gz XLJUNMSAWJQKKD-IIAWOOMASA-N 2 1 370.563 0.775 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(C)(F)F)CC2)CC[N@H+]1C ZINC001055583498 676025432 /nfs/dbraw/zinc/02/54/32/676025432.db2.gz QERUBMNBFDNSIE-TZMCWYRMSA-N 2 1 360.449 0.679 20 0 FCADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000872141677 672594139 /nfs/dbraw/zinc/59/41/39/672594139.db2.gz NQLBAJYJPQRGCV-HNNXBMFYSA-N 2 1 359.536 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056549058 676047271 /nfs/dbraw/zinc/04/72/71/676047271.db2.gz VACYVTXKAMICFI-WCXIOVBPSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001000702070 676059360 /nfs/dbraw/zinc/05/93/60/676059360.db2.gz PIAPMNSOZONLOH-DJIMGWMZSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001000702070 676059361 /nfs/dbraw/zinc/05/93/61/676059361.db2.gz PIAPMNSOZONLOH-DJIMGWMZSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC001000702070 676059362 /nfs/dbraw/zinc/05/93/62/676059362.db2.gz PIAPMNSOZONLOH-DJIMGWMZSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC001000702070 676059363 /nfs/dbraw/zinc/05/93/63/676059363.db2.gz PIAPMNSOZONLOH-DJIMGWMZSA-N 2 1 369.531 0.510 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC[C@@H]3CCOC3)CC2)O1 ZINC001001531700 676075499 /nfs/dbraw/zinc/07/54/99/676075499.db2.gz GVAKJNZYIFKRCA-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC[C@@H]3CCOC3)CC2)O1 ZINC001001531700 676075503 /nfs/dbraw/zinc/07/55/03/676075503.db2.gz GVAKJNZYIFKRCA-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000876784091 672980097 /nfs/dbraw/zinc/98/00/97/672980097.db2.gz WRYRVBJSDIVYSV-CQSZACIVSA-N 2 1 351.520 0.894 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001050523690 676085482 /nfs/dbraw/zinc/08/54/82/676085482.db2.gz GVXNRHLZWDGIHM-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001050523690 676085484 /nfs/dbraw/zinc/08/54/84/676085484.db2.gz GVXNRHLZWDGIHM-HUUCEWRRSA-N 2 1 357.520 0.296 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)sn1 ZINC001051624926 676107181 /nfs/dbraw/zinc/10/71/81/676107181.db2.gz VZAZOKHNLDUTIF-UMVBOHGHSA-N 2 1 368.503 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001051622983 676106787 /nfs/dbraw/zinc/10/67/87/676106787.db2.gz BHGOHFIIENPYCA-KBRIMQKVSA-N 2 1 350.438 0.878 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001051680081 676108568 /nfs/dbraw/zinc/10/85/68/676108568.db2.gz KEYQFKCWCRWWLA-UMVBOHGHSA-N 2 1 354.476 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001051680081 676108569 /nfs/dbraw/zinc/10/85/69/676108569.db2.gz KEYQFKCWCRWWLA-UMVBOHGHSA-N 2 1 354.476 0.179 20 0 FCADMP CCCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043392 676113593 /nfs/dbraw/zinc/11/35/93/676113593.db2.gz XEFBSEHXKSXUBJ-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043392 676113597 /nfs/dbraw/zinc/11/35/97/676113597.db2.gz XEFBSEHXKSXUBJ-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000883436418 673375480 /nfs/dbraw/zinc/37/54/80/673375480.db2.gz SIFXHNHSVQMJPG-KRWDZBQOSA-N 2 1 354.495 0.650 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000883646810 673388561 /nfs/dbraw/zinc/38/85/61/673388561.db2.gz BZESNPXSOOXWRD-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000884522850 673459715 /nfs/dbraw/zinc/45/97/15/673459715.db2.gz JQJIJVCRZUNEHR-SCRDCRAPSA-N 2 1 350.488 0.559 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000884522850 673459717 /nfs/dbraw/zinc/45/97/17/673459717.db2.gz JQJIJVCRZUNEHR-SCRDCRAPSA-N 2 1 350.488 0.559 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884627099 673467223 /nfs/dbraw/zinc/46/72/23/673467223.db2.gz DOFYIMVDHCTEFU-LIRRHRJNSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H](C)C1 ZINC000885015203 673498476 /nfs/dbraw/zinc/49/84/76/673498476.db2.gz VTFRLQBDAKGRGI-NNXHMXCWSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276508 673511310 /nfs/dbraw/zinc/51/13/10/673511310.db2.gz SRMPJESLPNYANX-BFHYXJOUSA-N 2 1 358.433 0.290 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000888026142 673664427 /nfs/dbraw/zinc/66/44/27/673664427.db2.gz POZOPKOESSYRBX-KGLIPLIRSA-N 2 1 350.467 0.589 20 0 FCADMP O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755275 673685617 /nfs/dbraw/zinc/68/56/17/673685617.db2.gz FIPIIJDIWYBNRI-KURKYZTESA-N 2 1 351.491 0.687 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)N1CCO[C@H](CC)C1 ZINC000889755604 673685839 /nfs/dbraw/zinc/68/58/39/673685839.db2.gz JDURBTOIIJWSMP-BDXSIMOUSA-N 2 1 353.507 0.933 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446146 673752709 /nfs/dbraw/zinc/75/27/09/673752709.db2.gz XQCIMWFGQMPMKA-HZPDHXFCSA-N 2 1 352.479 0.750 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924446146 673752711 /nfs/dbraw/zinc/75/27/11/673752711.db2.gz XQCIMWFGQMPMKA-HZPDHXFCSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(CC2(C[NH+]3CCOCC3)CCCCC2)C1=O ZINC000924729806 673762120 /nfs/dbraw/zinc/76/21/20/673762120.db2.gz KRCRRIGXILHFTE-OAHLLOKOSA-N 2 1 352.479 0.751 20 0 FCADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924958493 673771068 /nfs/dbraw/zinc/77/10/68/673771068.db2.gz LNSQTDMRZPDUNC-INIZCTEOSA-N 2 1 374.595 0.910 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967752 673771559 /nfs/dbraw/zinc/77/15/59/673771559.db2.gz YQUOUSYOVILKFD-GOEBONIOSA-N 2 1 374.551 0.224 20 0 FCADMP C[C@H]1[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000925354766 673788594 /nfs/dbraw/zinc/78/85/94/673788594.db2.gz LIQBSKDPKJCGME-GJZGRUSLSA-N 2 1 351.495 0.594 20 0 FCADMP C[C@H]1[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000925354768 673788928 /nfs/dbraw/zinc/78/89/28/673788928.db2.gz LIQBSKDPKJCGME-LSDHHAIUSA-N 2 1 351.495 0.594 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000926304473 673821239 /nfs/dbraw/zinc/82/12/39/673821239.db2.gz TXFWHOFOPGBVLJ-HNNXBMFYSA-N 2 1 364.515 0.632 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000926443129 673831441 /nfs/dbraw/zinc/83/14/41/673831441.db2.gz NXILHFOXQLFRPY-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000926443129 673831446 /nfs/dbraw/zinc/83/14/46/673831446.db2.gz NXILHFOXQLFRPY-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@@H+]1C ZINC000968728460 675227417 /nfs/dbraw/zinc/22/74/17/675227417.db2.gz PYCSBBHMZMFZAA-UMVBOHGHSA-N 2 1 369.487 0.714 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@H+]1C ZINC000968728460 675227419 /nfs/dbraw/zinc/22/74/19/675227419.db2.gz PYCSBBHMZMFZAA-UMVBOHGHSA-N 2 1 369.487 0.714 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011134997 675374314 /nfs/dbraw/zinc/37/43/14/675374314.db2.gz UIKJTIWROXKINJ-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011134997 675374315 /nfs/dbraw/zinc/37/43/15/675374315.db2.gz UIKJTIWROXKINJ-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011134997 675374316 /nfs/dbraw/zinc/37/43/16/675374316.db2.gz UIKJTIWROXKINJ-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011208934 675377109 /nfs/dbraw/zinc/37/71/09/675377109.db2.gz VNMMXKCTMPPGPV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011208934 675377111 /nfs/dbraw/zinc/37/71/11/675377111.db2.gz VNMMXKCTMPPGPV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011208934 675377114 /nfs/dbraw/zinc/37/71/14/675377114.db2.gz VNMMXKCTMPPGPV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC001011211783 675377454 /nfs/dbraw/zinc/37/74/54/675377454.db2.gz MEBPTLBALJEBTM-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC001011211783 675377456 /nfs/dbraw/zinc/37/74/56/675377456.db2.gz MEBPTLBALJEBTM-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC001011211783 675377459 /nfs/dbraw/zinc/37/74/59/675377459.db2.gz MEBPTLBALJEBTM-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001016631018 675403067 /nfs/dbraw/zinc/40/30/67/675403067.db2.gz LWVDOOIIQWDUFT-ARFHVFGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001016631018 675403069 /nfs/dbraw/zinc/40/30/69/675403069.db2.gz LWVDOOIIQWDUFT-ARFHVFGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001020174655 675436558 /nfs/dbraw/zinc/43/65/58/675436558.db2.gz KWMCJSKQDGENEL-OVYGPGRDSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001039136173 675447556 /nfs/dbraw/zinc/44/75/56/675447556.db2.gz LHRMJJIFAIETNT-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CC[NH+](CCCO)C3)CC2)O1 ZINC001039136173 675447559 /nfs/dbraw/zinc/44/75/59/675447559.db2.gz LHRMJJIFAIETNT-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CC[N@H+](CCCO)C3)CC2)O1 ZINC001039136173 675447561 /nfs/dbraw/zinc/44/75/61/675447561.db2.gz LHRMJJIFAIETNT-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CC[N@@H+](CCCO)C3)CC2)O1 ZINC001039136173 675447565 /nfs/dbraw/zinc/44/75/65/675447565.db2.gz LHRMJJIFAIETNT-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@H]2CCOC2)O1 ZINC001039677152 675450816 /nfs/dbraw/zinc/45/08/16/675450816.db2.gz ILCVPEMPTPNTLU-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@H]2CCOC2)O1 ZINC001039677152 675450818 /nfs/dbraw/zinc/45/08/18/675450818.db2.gz ILCVPEMPTPNTLU-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H]2CCOC2)O1 ZINC001039677152 675450821 /nfs/dbraw/zinc/45/08/21/675450821.db2.gz ILCVPEMPTPNTLU-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H]2CCOC2)O1 ZINC001039677152 675450823 /nfs/dbraw/zinc/45/08/23/675450823.db2.gz ILCVPEMPTPNTLU-HSFUPAIVSA-N 2 1 351.491 0.807 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707527 675469067 /nfs/dbraw/zinc/46/90/67/675469067.db2.gz DMMXMVMYNAKBJA-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001042737508 675542341 /nfs/dbraw/zinc/54/23/41/675542341.db2.gz KHXZKOKMAHDAOI-QGTPRVQTSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001042738880 675542602 /nfs/dbraw/zinc/54/26/02/675542602.db2.gz PXAPDRSFQCFSEC-OLMNPRSZSA-N 2 1 353.507 0.911 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001045440132 675653728 /nfs/dbraw/zinc/65/37/28/675653728.db2.gz HKAFYGREONYYNH-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CCCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037901 675682410 /nfs/dbraw/zinc/68/24/10/675682410.db2.gz BOADPSQTJXZDTQ-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037901 675682413 /nfs/dbraw/zinc/68/24/13/675682413.db2.gz BOADPSQTJXZDTQ-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037901 675682416 /nfs/dbraw/zinc/68/24/16/675682416.db2.gz BOADPSQTJXZDTQ-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037901 675682418 /nfs/dbraw/zinc/68/24/18/675682418.db2.gz BOADPSQTJXZDTQ-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CCO2)CC1 ZINC000900596261 675697923 /nfs/dbraw/zinc/69/79/23/675697923.db2.gz ACHOWJFMEYSGJZ-KURKYZTESA-N 2 1 350.507 0.478 20 0 FCADMP C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900802432 675717649 /nfs/dbraw/zinc/71/76/49/675717649.db2.gz FJEWKEJCHMBRQU-AQEOSJORSA-N 2 1 352.523 0.628 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000901134763 675762367 /nfs/dbraw/zinc/76/23/67/675762367.db2.gz NMBQKLAFWRMVHD-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CCCCC3)C[C@@H]2O)O1 ZINC001047429138 675799518 /nfs/dbraw/zinc/79/95/18/675799518.db2.gz ZLCZQIDFXUTKQR-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CCCCC3)C[C@@H]2O)O1 ZINC001047429138 675799519 /nfs/dbraw/zinc/79/95/19/675799519.db2.gz ZLCZQIDFXUTKQR-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2O)O1 ZINC001047429138 675799524 /nfs/dbraw/zinc/79/95/24/675799524.db2.gz ZLCZQIDFXUTKQR-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2O)O1 ZINC001047429138 675799529 /nfs/dbraw/zinc/79/95/29/675799529.db2.gz ZLCZQIDFXUTKQR-LAVFITLUSA-N 2 1 353.507 0.789 20 0 FCADMP CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000988514196 1192246423 /nfs/dbraw/zinc/24/64/23/1192246423.db2.gz LJKXREPICOMWII-HYVNUMGLSA-N 2 1 361.490 0.943 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001772503058 1167729142 /nfs/dbraw/zinc/72/91/42/1167729142.db2.gz PMUFSADORQZEOM-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092550 1168162952 /nfs/dbraw/zinc/16/29/52/1168162952.db2.gz HZDPXVNXWOLYEX-MSOLQXFVSA-N 2 1 360.502 0.952 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)[C@@H](c2ccccc2)C1 ZINC001167093901 1168177034 /nfs/dbraw/zinc/17/70/34/1168177034.db2.gz VUIBKBFUIWWMOD-MSOLQXFVSA-N 2 1 358.486 0.706 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(CC(=O)N2CCCCC2)C1 ZINC000969958191 1168235475 /nfs/dbraw/zinc/23/54/75/1168235475.db2.gz JNBUSRJXKGDEJL-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1(CS(C)(=O)=O)CC1 ZINC001691020495 1168411719 /nfs/dbraw/zinc/41/17/19/1168411719.db2.gz WBZHOGRIKPDREH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1(CS(C)(=O)=O)CC1 ZINC001691020495 1168411722 /nfs/dbraw/zinc/41/17/22/1168411722.db2.gz WBZHOGRIKPDREH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC1(CS(C)(=O)=O)CC1 ZINC001691020495 1168411725 /nfs/dbraw/zinc/41/17/25/1168411725.db2.gz WBZHOGRIKPDREH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC1(CS(C)(=O)=O)CC1 ZINC001691020495 1168411728 /nfs/dbraw/zinc/41/17/28/1168411728.db2.gz WBZHOGRIKPDREH-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001021242125 1168859442 /nfs/dbraw/zinc/85/94/42/1168859442.db2.gz SVQBRDVXLIILAO-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc3nsnc32)CC[N@H+]1C ZINC001482731391 1192374911 /nfs/dbraw/zinc/37/49/11/1192374911.db2.gz UHMIEGBOIUYWEO-MRVWCRGKSA-N 2 1 363.487 0.598 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC001691042169 1169859421 /nfs/dbraw/zinc/85/94/21/1169859421.db2.gz FMGSSEUFAFDOIQ-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC001691042169 1169859426 /nfs/dbraw/zinc/85/94/26/1169859426.db2.gz FMGSSEUFAFDOIQ-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC001691042169 1169859431 /nfs/dbraw/zinc/85/94/31/1169859431.db2.gz FMGSSEUFAFDOIQ-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001087135526 1169892940 /nfs/dbraw/zinc/89/29/40/1169892940.db2.gz MHEGRUWSGGUDGD-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001087135526 1169892943 /nfs/dbraw/zinc/89/29/43/1169892943.db2.gz MHEGRUWSGGUDGD-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4nccn4C)C[C@H]32)CC[N@H+]1C ZINC001021801821 1170075990 /nfs/dbraw/zinc/07/59/90/1170075990.db2.gz OUUICZMXWQGJGM-YYIAUSFCSA-N 2 1 373.501 0.752 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC001021802680 1170076189 /nfs/dbraw/zinc/07/61/89/1170076189.db2.gz JFLNCZQJPATYFQ-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC001021802680 1170076203 /nfs/dbraw/zinc/07/62/03/1170076203.db2.gz JFLNCZQJPATYFQ-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC001021802680 1170076211 /nfs/dbraw/zinc/07/62/11/1170076211.db2.gz JFLNCZQJPATYFQ-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365877 1170076445 /nfs/dbraw/zinc/07/64/45/1170076445.db2.gz QSWBPCZUQKSWKG-HNKHHVNMSA-N 2 1 363.462 0.047 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375077 1170159072 /nfs/dbraw/zinc/15/90/72/1170159072.db2.gz NBCKSQCANRCDNC-LJIZCISZSA-N 2 1 363.462 0.190 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001021941452 1170328442 /nfs/dbraw/zinc/32/84/42/1170328442.db2.gz MDQUTTWXYAGPMC-WDYCEAGBSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941675 1170329944 /nfs/dbraw/zinc/32/99/44/1170329944.db2.gz QJTSVBKIJRKAFM-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941675 1170329954 /nfs/dbraw/zinc/32/99/54/1170329954.db2.gz QJTSVBKIJRKAFM-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)C1 ZINC001021941675 1170329963 /nfs/dbraw/zinc/32/99/63/1170329963.db2.gz QJTSVBKIJRKAFM-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP Cc1cncn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210457 1170748249 /nfs/dbraw/zinc/74/82/49/1170748249.db2.gz AATWOFWKFKPMBU-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022210457 1170748254 /nfs/dbraw/zinc/74/82/54/1170748254.db2.gz AATWOFWKFKPMBU-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210457 1170748262 /nfs/dbraw/zinc/74/82/62/1170748262.db2.gz AATWOFWKFKPMBU-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001087168603 1170811009 /nfs/dbraw/zinc/81/10/09/1170811009.db2.gz WLKMRDYWOLDABW-FXUDXRNXSA-N 2 1 363.510 0.657 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001087168603 1170811012 /nfs/dbraw/zinc/81/10/12/1170811012.db2.gz WLKMRDYWOLDABW-FXUDXRNXSA-N 2 1 363.510 0.657 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353338 1170836251 /nfs/dbraw/zinc/83/62/51/1170836251.db2.gz MWVWKLJCUZGKRD-LSDHHAIUSA-N 2 1 362.478 0.672 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353338 1170836252 /nfs/dbraw/zinc/83/62/52/1170836252.db2.gz MWVWKLJCUZGKRD-LSDHHAIUSA-N 2 1 362.478 0.672 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353338 1170836255 /nfs/dbraw/zinc/83/62/55/1170836255.db2.gz MWVWKLJCUZGKRD-LSDHHAIUSA-N 2 1 362.478 0.672 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353338 1170836259 /nfs/dbraw/zinc/83/62/59/1170836259.db2.gz MWVWKLJCUZGKRD-LSDHHAIUSA-N 2 1 362.478 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001691143727 1170840442 /nfs/dbraw/zinc/84/04/42/1170840442.db2.gz XARXQGIDSNPFHO-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001691143727 1170840443 /nfs/dbraw/zinc/84/04/43/1170840443.db2.gz XARXQGIDSNPFHO-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001691143727 1170840444 /nfs/dbraw/zinc/84/04/44/1170840444.db2.gz XARXQGIDSNPFHO-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001083224875 1170841106 /nfs/dbraw/zinc/84/11/06/1170841106.db2.gz UWZXRFUXQFRPKL-FGTMMUONSA-N 2 1 367.490 0.189 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001083224875 1170841107 /nfs/dbraw/zinc/84/11/07/1170841107.db2.gz UWZXRFUXQFRPKL-FGTMMUONSA-N 2 1 367.490 0.189 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891749819 1170843620 /nfs/dbraw/zinc/84/36/20/1170843620.db2.gz YNILULIPQBMXQI-IAGOWNOFSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891749819 1170843622 /nfs/dbraw/zinc/84/36/22/1170843622.db2.gz YNILULIPQBMXQI-IAGOWNOFSA-N 2 1 367.538 0.253 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001691223632 1170865805 /nfs/dbraw/zinc/86/58/05/1170865805.db2.gz MJUAVDNMRMNNPD-RRFJBIMHSA-N 2 1 367.494 0.189 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOCCO)C1)C2 ZINC001691251018 1170888816 /nfs/dbraw/zinc/88/88/16/1170888816.db2.gz IXXBGXYQPFVRCC-GVDBMIGSSA-N 2 1 364.490 0.637 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001691263173 1170976858 /nfs/dbraw/zinc/97/68/58/1170976858.db2.gz HJEPJMWRTZPAEN-RRFJBIMHSA-N 2 1 361.494 0.724 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001087181284 1171036369 /nfs/dbraw/zinc/03/63/69/1171036369.db2.gz KSRYBNAHJRJZOV-XYVMCAHJSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001087181284 1171036381 /nfs/dbraw/zinc/03/63/81/1171036381.db2.gz KSRYBNAHJRJZOV-XYVMCAHJSA-N 2 1 363.506 0.856 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001022423746 1171053082 /nfs/dbraw/zinc/05/30/82/1171053082.db2.gz IXNYTTYQVJOABV-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000328997037 1171078914 /nfs/dbraw/zinc/07/89/14/1171078914.db2.gz UQFUPMXTPDXHDQ-CGTJXYLNSA-N 2 1 361.490 0.736 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000328997037 1171078921 /nfs/dbraw/zinc/07/89/21/1171078921.db2.gz UQFUPMXTPDXHDQ-CGTJXYLNSA-N 2 1 361.490 0.736 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000891930009 1171090801 /nfs/dbraw/zinc/09/08/01/1171090801.db2.gz UKSBSGUVMIJERU-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000891930009 1171090813 /nfs/dbraw/zinc/09/08/13/1171090813.db2.gz UKSBSGUVMIJERU-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001691324853 1171099257 /nfs/dbraw/zinc/09/92/57/1171099257.db2.gz YILZYSSICMVHPX-QWHCGFSZSA-N 2 1 358.437 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001691324853 1171099266 /nfs/dbraw/zinc/09/92/66/1171099266.db2.gz YILZYSSICMVHPX-QWHCGFSZSA-N 2 1 358.437 0.822 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C[NH2+]CCCOC ZINC001691335856 1171139722 /nfs/dbraw/zinc/13/97/22/1171139722.db2.gz YCUFZDXIKGEWKX-LMMKCTJWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001691382010 1171240104 /nfs/dbraw/zinc/24/01/04/1171240104.db2.gz DKLPLNYCSUVZJS-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970516 1171360772 /nfs/dbraw/zinc/36/07/72/1171360772.db2.gz LOUZZPDLLXPJPX-KRWDZBQOSA-N 2 1 359.474 0.300 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988774890 1192462963 /nfs/dbraw/zinc/46/29/63/1192462963.db2.gz FOCUMQZLXJVONT-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892051247 1171527252 /nfs/dbraw/zinc/52/72/52/1171527252.db2.gz PWMGJGAJWCEDHV-GOSISDBHSA-N 2 1 364.490 0.731 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892051247 1171527262 /nfs/dbraw/zinc/52/72/62/1171527262.db2.gz PWMGJGAJWCEDHV-GOSISDBHSA-N 2 1 364.490 0.731 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC001022722304 1171814608 /nfs/dbraw/zinc/81/46/08/1171814608.db2.gz ZOGBTRDTLGFXIS-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892266076 1171870440 /nfs/dbraw/zinc/87/04/40/1171870440.db2.gz ZXHSDAZYVFIZKS-CEXWTWQISA-N 2 1 357.502 0.948 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892266076 1171870442 /nfs/dbraw/zinc/87/04/42/1171870442.db2.gz ZXHSDAZYVFIZKS-CEXWTWQISA-N 2 1 357.502 0.948 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237736 1171876611 /nfs/dbraw/zinc/87/66/11/1171876611.db2.gz RBLIFAHDZZGWFL-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237736 1171876615 /nfs/dbraw/zinc/87/66/15/1171876615.db2.gz RBLIFAHDZZGWFL-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237736 1171876620 /nfs/dbraw/zinc/87/66/20/1171876620.db2.gz RBLIFAHDZZGWFL-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972252267 1171888130 /nfs/dbraw/zinc/88/81/30/1171888130.db2.gz CYXVWKLVPDQEEX-HZPDHXFCSA-N 2 1 357.458 0.347 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249432 1172022131 /nfs/dbraw/zinc/02/21/31/1172022131.db2.gz FAORSWHGNPCUEU-ZGUYJTEBSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001087226278 1172077408 /nfs/dbraw/zinc/07/74/08/1172077408.db2.gz MPJVLINXROTTGT-SJORKVTESA-N 2 1 363.506 0.859 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3cncn3c2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000988949580 1192585574 /nfs/dbraw/zinc/58/55/74/1192585574.db2.gz ZHAFODJENOAWBW-COXVUDFISA-N 2 1 371.441 0.384 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872335 /nfs/dbraw/zinc/87/23/35/1192872335.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 1 374.485 0.842 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872336 /nfs/dbraw/zinc/87/23/36/1192872336.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 1 374.485 0.842 20 0 FCADMP CC[NH+]1CCN(CCCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478530 1179163119 /nfs/dbraw/zinc/16/31/19/1179163119.db2.gz UHQYTFZSPCEHMI-QGZVFWFLSA-N 2 1 365.522 0.810 20 0 FCADMP CN1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C)CC1 ZINC000888991330 1179275320 /nfs/dbraw/zinc/27/53/20/1179275320.db2.gz YOAOWKFTUDHJJJ-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP CN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000888991330 1179275328 /nfs/dbraw/zinc/27/53/28/1179275328.db2.gz YOAOWKFTUDHJJJ-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP CN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000888991330 1179275333 /nfs/dbraw/zinc/27/53/33/1179275333.db2.gz YOAOWKFTUDHJJJ-FQEVSTJZSA-N 2 1 360.502 0.329 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC001067487773 1179289005 /nfs/dbraw/zinc/28/90/05/1179289005.db2.gz WVHRZVWYWVFRBP-NXHRZFHOSA-N 2 1 364.534 0.975 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493462 1179434966 /nfs/dbraw/zinc/43/49/66/1179434966.db2.gz ZFTLOTLUEVJGAF-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCc3ccnn3C)C2)O1 ZINC001023451322 1179751251 /nfs/dbraw/zinc/75/12/51/1179751251.db2.gz NYDXSYIRERVTFV-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCc3ccnn3C)C2)O1 ZINC001023451322 1179751257 /nfs/dbraw/zinc/75/12/57/1179751257.db2.gz NYDXSYIRERVTFV-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCc3ccnn3C)C2)O1 ZINC001023451322 1179751265 /nfs/dbraw/zinc/75/12/65/1179751265.db2.gz NYDXSYIRERVTFV-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCc3ccnn3C)C2)O1 ZINC001023451322 1179751275 /nfs/dbraw/zinc/75/12/75/1179751275.db2.gz NYDXSYIRERVTFV-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001023600454 1179905565 /nfs/dbraw/zinc/90/55/65/1179905565.db2.gz GGEMIZVBRKKAOV-ARFHVFGLSA-N 2 1 359.474 0.584 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001023600454 1179905585 /nfs/dbraw/zinc/90/55/85/1179905585.db2.gz GGEMIZVBRKKAOV-ARFHVFGLSA-N 2 1 359.474 0.584 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cncn2C)C1 ZINC001087247971 1180000916 /nfs/dbraw/zinc/00/09/16/1180000916.db2.gz JCHOOLIUPBVYDI-RYRKJORJSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cncn2C)C1 ZINC001087247971 1180000928 /nfs/dbraw/zinc/00/09/28/1180000928.db2.gz JCHOOLIUPBVYDI-RYRKJORJSA-N 2 1 363.506 0.858 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001023706038 1180128894 /nfs/dbraw/zinc/12/88/94/1180128894.db2.gz HJDVTJQUWNMUDK-IXDOHACOSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001023706038 1180128899 /nfs/dbraw/zinc/12/88/99/1180128899.db2.gz HJDVTJQUWNMUDK-IXDOHACOSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001023706038 1180128908 /nfs/dbraw/zinc/12/89/08/1180128908.db2.gz HJDVTJQUWNMUDK-IXDOHACOSA-N 2 1 366.506 0.031 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972649347 1180187653 /nfs/dbraw/zinc/18/76/53/1180187653.db2.gz OIAGZCPGHVEGRI-JFIYKMOQSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[nH]2)CC[N@H+]1C ZINC001087257524 1180336953 /nfs/dbraw/zinc/33/69/53/1180336953.db2.gz XHNOSHGLVXHYFT-UMVBOHGHSA-N 2 1 363.462 0.265 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001023843563 1180390827 /nfs/dbraw/zinc/39/08/27/1180390827.db2.gz OSDGNXXAWYNXKH-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001024039056 1180806326 /nfs/dbraw/zinc/80/63/26/1180806326.db2.gz NNKYCRCZDQGEPB-JFIYKMOQSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001024039056 1180806335 /nfs/dbraw/zinc/80/63/35/1180806335.db2.gz NNKYCRCZDQGEPB-JFIYKMOQSA-N 2 1 363.506 0.776 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024136659 1180864645 /nfs/dbraw/zinc/86/46/45/1180864645.db2.gz UKZCPPXEKQUIRH-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001024136659 1180864646 /nfs/dbraw/zinc/86/46/46/1180864646.db2.gz UKZCPPXEKQUIRH-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001024136659 1180864652 /nfs/dbraw/zinc/86/46/52/1180864652.db2.gz UKZCPPXEKQUIRH-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024999171 1181846530 /nfs/dbraw/zinc/84/65/30/1181846530.db2.gz SZACACAFBSJGQY-BFYDXBDKSA-N 2 1 364.494 0.488 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024999171 1181846532 /nfs/dbraw/zinc/84/65/32/1181846532.db2.gz SZACACAFBSJGQY-BFYDXBDKSA-N 2 1 364.494 0.488 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]21 ZINC001083275583 1181852060 /nfs/dbraw/zinc/85/20/60/1181852060.db2.gz MFPJBRMMFOYSDM-IPMKNSEASA-N 2 1 365.518 0.935 20 0 FCADMP CN1CCN(c2ncc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000134288139 1181942093 /nfs/dbraw/zinc/94/20/93/1181942093.db2.gz ZHXCZNKPEQPCQL-UHFFFAOYSA-N 2 1 361.538 0.346 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cn2)CC1 ZINC000134288139 1181942096 /nfs/dbraw/zinc/94/20/96/1181942096.db2.gz ZHXCZNKPEQPCQL-UHFFFAOYSA-N 3 1 361.538 0.346 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000134288139 1181942101 /nfs/dbraw/zinc/94/21/01/1181942101.db2.gz ZHXCZNKPEQPCQL-UHFFFAOYSA-N 3 1 361.538 0.346 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676250 1182358286 /nfs/dbraw/zinc/35/82/86/1182358286.db2.gz BMORPZNLKHQAED-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000892766443 1182485301 /nfs/dbraw/zinc/48/53/01/1182485301.db2.gz LEJKJNWRONHFME-CVEARBPZSA-N 2 1 368.522 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC[N@H+]1C ZINC001025795213 1182847276 /nfs/dbraw/zinc/84/72/76/1182847276.db2.gz YKLZTHQPZNSWKB-VVHNNWHFSA-N 2 1 358.490 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC[NH+]1C ZINC001025795213 1182847279 /nfs/dbraw/zinc/84/72/79/1182847279.db2.gz YKLZTHQPZNSWKB-VVHNNWHFSA-N 2 1 358.490 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC[NH+]1C ZINC001025795213 1182847282 /nfs/dbraw/zinc/84/72/82/1182847282.db2.gz YKLZTHQPZNSWKB-VVHNNWHFSA-N 2 1 358.490 0.542 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974220440 1183059120 /nfs/dbraw/zinc/05/91/20/1183059120.db2.gz GUVRTBOOEUTQBB-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974220440 1183059128 /nfs/dbraw/zinc/05/91/28/1183059128.db2.gz GUVRTBOOEUTQBB-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974220440 1183059138 /nfs/dbraw/zinc/05/91/38/1183059138.db2.gz GUVRTBOOEUTQBB-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974220440 1183059147 /nfs/dbraw/zinc/05/91/47/1183059147.db2.gz GUVRTBOOEUTQBB-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974220440 1183059154 /nfs/dbraw/zinc/05/91/54/1183059154.db2.gz GUVRTBOOEUTQBB-NQNKBUKLSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)CC1CC1 ZINC001105007546 1183065305 /nfs/dbraw/zinc/06/53/05/1183065305.db2.gz BMXWYVJXIMJOJN-NXHRZFHOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001105008100 1183067106 /nfs/dbraw/zinc/06/71/06/1183067106.db2.gz PZGGBEJNHQZPQL-NXHRZFHOSA-N 2 1 364.534 0.929 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001105014143 1183068767 /nfs/dbraw/zinc/06/87/67/1183068767.db2.gz FBTZJFMKMNXPRH-HUUCEWRRSA-N 2 1 365.478 0.886 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001105040833 1183089117 /nfs/dbraw/zinc/08/91/17/1183089117.db2.gz RCONECHGCXSGDC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001105040833 1183089120 /nfs/dbraw/zinc/08/91/20/1183089120.db2.gz RCONECHGCXSGDC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCc3ccnn3C)CC2)O1 ZINC001026514405 1183145477 /nfs/dbraw/zinc/14/54/77/1183145477.db2.gz DCAPYOBNQDCRLZ-YHOLWWCESA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCc3ccnn3C)CC2)O1 ZINC001026514405 1183145482 /nfs/dbraw/zinc/14/54/82/1183145482.db2.gz DCAPYOBNQDCRLZ-YHOLWWCESA-N 2 1 363.506 0.699 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974549731 1183324375 /nfs/dbraw/zinc/32/43/75/1183324375.db2.gz PUFPDYOILDQSDF-HZPDHXFCSA-N 2 1 357.458 0.347 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974585460 1183364832 /nfs/dbraw/zinc/36/48/32/1183364832.db2.gz YXIRSLPBHZNUCA-GVDBMIGSSA-N 2 1 360.502 0.483 20 0 FCADMP Cn1cncc1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974587310 1183365749 /nfs/dbraw/zinc/36/57/49/1183365749.db2.gz YYZBIOGBZDOGOH-ZMSDIMECSA-N 2 1 359.474 0.364 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC000975203926 1183767334 /nfs/dbraw/zinc/76/73/34/1183767334.db2.gz OVQJLVYINPYHMD-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000975414808 1183860182 /nfs/dbraw/zinc/86/01/82/1183860182.db2.gz RASSOKMHOMCBOY-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)[NH+](C)C ZINC000975781481 1185770002 /nfs/dbraw/zinc/77/00/02/1185770002.db2.gz FOCMFJMHVLQAIQ-BBWFWOEESA-N 2 1 361.490 0.981 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)C1 ZINC000975821956 1185819052 /nfs/dbraw/zinc/81/90/52/1185819052.db2.gz OPCVMPYPPCWNJO-BBWFWOEESA-N 2 1 360.502 0.483 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)C1 ZINC000975821958 1185819116 /nfs/dbraw/zinc/81/91/16/1185819116.db2.gz OPCVMPYPPCWNJO-ULQDDVLXSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000978845365 1186013339 /nfs/dbraw/zinc/01/33/39/1186013339.db2.gz HQSDSZNWCHNOPK-AGTSVGGPSA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000978972092 1186040457 /nfs/dbraw/zinc/04/04/57/1186040457.db2.gz VJDJYQNSTVQERO-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000978972092 1186040467 /nfs/dbraw/zinc/04/04/67/1186040467.db2.gz VJDJYQNSTVQERO-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000978972092 1186040474 /nfs/dbraw/zinc/04/04/74/1186040474.db2.gz VJDJYQNSTVQERO-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000978972092 1186040478 /nfs/dbraw/zinc/04/04/78/1186040478.db2.gz VJDJYQNSTVQERO-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529558 1186079212 /nfs/dbraw/zinc/07/92/12/1186079212.db2.gz FTBHGHSFLTZBRC-ZOCIIQOWSA-N 2 1 368.497 0.903 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112529487 1186083732 /nfs/dbraw/zinc/08/37/32/1186083732.db2.gz BFROENWTPUOGSS-ZWOKBUDYSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112529713 1186089008 /nfs/dbraw/zinc/08/90/08/1186089008.db2.gz LRQYNFXSLCWYQP-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112529962 1186093716 /nfs/dbraw/zinc/09/37/16/1186093716.db2.gz XNEYUXZBVPISRE-AOIWGVFYSA-N 2 1 360.506 0.838 20 0 FCADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027887989 1186193772 /nfs/dbraw/zinc/19/37/72/1186193772.db2.gz CDTUMDFTXOLOFQ-JZXOWHBKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027887989 1186193782 /nfs/dbraw/zinc/19/37/82/1186193782.db2.gz CDTUMDFTXOLOFQ-JZXOWHBKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H](O)c3ccccc3)CC2)O1 ZINC000981440681 1186419512 /nfs/dbraw/zinc/41/95/12/1186419512.db2.gz ZWXQEYKDCDZZQY-BHIYHBOVSA-N 2 1 361.486 0.973 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H](O)c3ccccc3)CC2)O1 ZINC000981440681 1186419518 /nfs/dbraw/zinc/41/95/18/1186419518.db2.gz ZWXQEYKDCDZZQY-BHIYHBOVSA-N 2 1 361.486 0.973 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@@H](O)c3ccccc3)CC2)O1 ZINC000981440681 1186419521 /nfs/dbraw/zinc/41/95/21/1186419521.db2.gz ZWXQEYKDCDZZQY-BHIYHBOVSA-N 2 1 361.486 0.973 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@@H](O)c3ccccc3)CC2)O1 ZINC000981440681 1186419524 /nfs/dbraw/zinc/41/95/24/1186419524.db2.gz ZWXQEYKDCDZZQY-BHIYHBOVSA-N 2 1 361.486 0.973 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)C1 ZINC001211726326 1187485960 /nfs/dbraw/zinc/48/59/60/1187485960.db2.gz VZDSVEYUJFSMNE-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)C1 ZINC001211726326 1187485963 /nfs/dbraw/zinc/48/59/63/1187485963.db2.gz VZDSVEYUJFSMNE-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+][C@H]3CCCN(C)C3=O)CCCC2)CC[N@H+]1C ZINC001481897282 1187546447 /nfs/dbraw/zinc/54/64/47/1187546447.db2.gz UUOVENZBVDUMEC-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)ccn1 ZINC001075645008 1187583388 /nfs/dbraw/zinc/58/33/88/1187583388.db2.gz KYSSYEDVEQOQAO-BBWFWOEESA-N 2 1 360.458 0.454 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001028552134 1187604459 /nfs/dbraw/zinc/60/44/59/1187604459.db2.gz HPTKKSBQKDKYPM-HRCADAONSA-N 2 1 366.485 0.916 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629706 1187758078 /nfs/dbraw/zinc/75/80/78/1187758078.db2.gz QSLZXIBYHFFPLO-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629706 1187758083 /nfs/dbraw/zinc/75/80/83/1187758083.db2.gz QSLZXIBYHFFPLO-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629706 1187758088 /nfs/dbraw/zinc/75/80/88/1187758088.db2.gz QSLZXIBYHFFPLO-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629706 1187758092 /nfs/dbraw/zinc/75/80/92/1187758092.db2.gz QSLZXIBYHFFPLO-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000545883947 1187805680 /nfs/dbraw/zinc/80/56/80/1187805680.db2.gz KCGIFEBDKUMYOJ-LJQANCHMSA-N 2 1 362.474 0.385 20 0 FCADMP Cc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)CN(C)C(N)=[NH2+])CC3)n(C)n1 ZINC001269992294 1187961287 /nfs/dbraw/zinc/96/12/87/1187961287.db2.gz FTCWBKLPBHCVLY-UHFFFAOYSA-N 2 1 361.494 0.368 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C[N@@H+](C)C3CCCC3)C2)OCC1=O ZINC001270165636 1188036869 /nfs/dbraw/zinc/03/68/69/1188036869.db2.gz KBXUMHBAQWJIRZ-LJQANCHMSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001270176495 1188042389 /nfs/dbraw/zinc/04/23/89/1188042389.db2.gz YUMIXKGZTDLZKF-IBGZPJMESA-N 2 1 364.490 0.116 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001270176495 1188042394 /nfs/dbraw/zinc/04/23/94/1188042394.db2.gz YUMIXKGZTDLZKF-IBGZPJMESA-N 2 1 364.490 0.116 20 0 FCADMP Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001270334158 1188099287 /nfs/dbraw/zinc/09/92/87/1188099287.db2.gz YPINNWRDCZLIOK-USXIJHARSA-N 2 1 359.474 0.854 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CCn4ccnc4)C3=O)C2)C1 ZINC001270334010 1188099311 /nfs/dbraw/zinc/09/93/11/1188099311.db2.gz WHQYBLLREGQYLB-LPHOPBHVSA-N 2 1 359.474 0.676 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550035106 1188214654 /nfs/dbraw/zinc/21/46/54/1188214654.db2.gz RLGREBCLRLWNBB-GOSISDBHSA-N 2 1 360.502 0.830 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601906 1188235346 /nfs/dbraw/zinc/23/53/46/1188235346.db2.gz NMAQPWMMYZRUQI-IRXDYDNUSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000894601906 1188235350 /nfs/dbraw/zinc/23/53/50/1188235350.db2.gz NMAQPWMMYZRUQI-IRXDYDNUSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000894601906 1188235354 /nfs/dbraw/zinc/23/53/54/1188235354.db2.gz NMAQPWMMYZRUQI-IRXDYDNUSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC000983704530 1188276882 /nfs/dbraw/zinc/27/68/82/1188276882.db2.gz KCTYMIVMACUKPV-AAVRWANBSA-N 2 1 370.448 0.868 20 0 FCADMP C[C@H]([NH2+]Cc1nccn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111738 1188292904 /nfs/dbraw/zinc/29/29/04/1188292904.db2.gz NMJMVVDDOJJSSC-HLLBOEOZSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H]([NH2+]Cc1nccn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111738 1188292906 /nfs/dbraw/zinc/29/29/06/1188292906.db2.gz NMJMVVDDOJJSSC-HLLBOEOZSA-N 2 1 363.506 0.856 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167991390 1188341553 /nfs/dbraw/zinc/34/15/53/1188341553.db2.gz AFKPDXWXSDJWOI-NHJHPMQKSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167991390 1188341558 /nfs/dbraw/zinc/34/15/58/1188341558.db2.gz AFKPDXWXSDJWOI-NHJHPMQKSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167991390 1188341562 /nfs/dbraw/zinc/34/15/62/1188341562.db2.gz AFKPDXWXSDJWOI-NHJHPMQKSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167991390 1188341566 /nfs/dbraw/zinc/34/15/66/1188341566.db2.gz AFKPDXWXSDJWOI-NHJHPMQKSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167991390 1188341570 /nfs/dbraw/zinc/34/15/70/1188341570.db2.gz AFKPDXWXSDJWOI-NHJHPMQKSA-N 2 1 360.502 0.815 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984015258 1189372416 /nfs/dbraw/zinc/37/24/16/1189372416.db2.gz NRQIOMFFHSAOSB-DNNBLBMLSA-N 2 1 364.494 0.310 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984015258 1189372420 /nfs/dbraw/zinc/37/24/20/1189372420.db2.gz NRQIOMFFHSAOSB-DNNBLBMLSA-N 2 1 364.494 0.310 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001029313644 1189374339 /nfs/dbraw/zinc/37/43/39/1189374339.db2.gz IXAFJNNSDZAZOY-HSFUPAIVSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001029313644 1189374345 /nfs/dbraw/zinc/37/43/45/1189374345.db2.gz IXAFJNNSDZAZOY-HSFUPAIVSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001029313644 1189374352 /nfs/dbraw/zinc/37/43/52/1189374352.db2.gz IXAFJNNSDZAZOY-HSFUPAIVSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000550455597 1189491646 /nfs/dbraw/zinc/49/16/46/1189491646.db2.gz ARCUCOPEBGOWKT-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000550455597 1189491659 /nfs/dbraw/zinc/49/16/59/1189491659.db2.gz ARCUCOPEBGOWKT-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000550455597 1189491673 /nfs/dbraw/zinc/49/16/73/1189491673.db2.gz ARCUCOPEBGOWKT-DJIMGWMZSA-N 2 1 366.506 0.058 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075811815 1189580943 /nfs/dbraw/zinc/58/09/43/1189580943.db2.gz GOWKETKNGMHAOI-KYHPRHEASA-N 2 1 360.506 0.979 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075811815 1189580955 /nfs/dbraw/zinc/58/09/55/1189580955.db2.gz GOWKETKNGMHAOI-KYHPRHEASA-N 2 1 360.506 0.979 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075811815 1189580966 /nfs/dbraw/zinc/58/09/66/1189580966.db2.gz GOWKETKNGMHAOI-KYHPRHEASA-N 2 1 360.506 0.979 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075811815 1189580980 /nfs/dbraw/zinc/58/09/80/1189580980.db2.gz GOWKETKNGMHAOI-KYHPRHEASA-N 2 1 360.506 0.979 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCN1CCNC1=O ZINC001087640433 1189697590 /nfs/dbraw/zinc/69/75/90/1189697590.db2.gz CMUVWJHCIAJOMN-JKSUJKDBSA-N 2 1 363.506 0.609 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000550493266 1189703786 /nfs/dbraw/zinc/70/37/86/1189703786.db2.gz BRDBMXXBIVVWSV-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087726655 1189804247 /nfs/dbraw/zinc/80/42/47/1189804247.db2.gz NHSQUZUMJFTARI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087726655 1189804249 /nfs/dbraw/zinc/80/42/49/1189804249.db2.gz NHSQUZUMJFTARI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087726655 1189804251 /nfs/dbraw/zinc/80/42/51/1189804251.db2.gz NHSQUZUMJFTARI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087726655 1189804252 /nfs/dbraw/zinc/80/42/52/1189804252.db2.gz NHSQUZUMJFTARI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001271138876 1189807478 /nfs/dbraw/zinc/80/74/78/1189807478.db2.gz HVUPIMWJZLMYNS-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001087799180 1189828649 /nfs/dbraw/zinc/82/86/49/1189828649.db2.gz HGYCZJOLPJOAJJ-YESZJQIVSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001087829499 1189842501 /nfs/dbraw/zinc/84/25/01/1189842501.db2.gz GOVHNHUZMNOOBE-YESZJQIVSA-N 2 1 366.506 0.035 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087908616 1189894002 /nfs/dbraw/zinc/89/40/02/1189894002.db2.gz IDDWOGQYJYSUJI-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)nn1 ZINC001087908616 1189894004 /nfs/dbraw/zinc/89/40/04/1189894004.db2.gz IDDWOGQYJYSUJI-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)nn1 ZINC001087908616 1189894008 /nfs/dbraw/zinc/89/40/08/1189894008.db2.gz IDDWOGQYJYSUJI-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967253 1190024157 /nfs/dbraw/zinc/02/41/57/1190024157.db2.gz PKGFLWMEKDZBIL-IKGGRYGDSA-N 2 1 362.518 0.907 20 0 FCADMP NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967253 1190024165 /nfs/dbraw/zinc/02/41/65/1190024165.db2.gz PKGFLWMEKDZBIL-IKGGRYGDSA-N 2 1 362.518 0.907 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968645 1190027982 /nfs/dbraw/zinc/02/79/82/1190027982.db2.gz DGLXYVMSZSPESZ-SOLBZPMBSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968645 1190027986 /nfs/dbraw/zinc/02/79/86/1190027986.db2.gz DGLXYVMSZSPESZ-SOLBZPMBSA-N 2 1 358.490 0.437 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467452 1190062528 /nfs/dbraw/zinc/06/25/28/1190062528.db2.gz DGOIWCWVXOQYBR-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896467452 1190062532 /nfs/dbraw/zinc/06/25/32/1190062532.db2.gz DGOIWCWVXOQYBR-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896467452 1190062536 /nfs/dbraw/zinc/06/25/36/1190062536.db2.gz DGOIWCWVXOQYBR-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087992738 1190143544 /nfs/dbraw/zinc/14/35/44/1190143544.db2.gz JKQMFJOIMKYXNZ-PMPSAXMXSA-N 2 1 359.474 0.629 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087992738 1190143548 /nfs/dbraw/zinc/14/35/48/1190143548.db2.gz JKQMFJOIMKYXNZ-PMPSAXMXSA-N 2 1 359.474 0.629 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncn4C)CC[C@@H]3C2)O1 ZINC001088011954 1190210150 /nfs/dbraw/zinc/21/01/50/1190210150.db2.gz LXGKMELDXONWRB-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncn4C)CC[C@@H]3C2)O1 ZINC001088011954 1190210154 /nfs/dbraw/zinc/21/01/54/1190210154.db2.gz LXGKMELDXONWRB-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncn4C)CC[C@@H]3C2)O1 ZINC001088011954 1190210158 /nfs/dbraw/zinc/21/01/58/1190210158.db2.gz LXGKMELDXONWRB-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncn4C)CC[C@@H]3C2)O1 ZINC001088011954 1190210163 /nfs/dbraw/zinc/21/01/63/1190210163.db2.gz LXGKMELDXONWRB-XLMAVXFVSA-N 2 1 361.490 0.420 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018823 1190230770 /nfs/dbraw/zinc/23/07/70/1190230770.db2.gz MSDSFQRGKYPJGL-IKGGRYGDSA-N 2 1 371.485 0.458 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018823 1190230775 /nfs/dbraw/zinc/23/07/75/1190230775.db2.gz MSDSFQRGKYPJGL-IKGGRYGDSA-N 2 1 371.485 0.458 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CCN1C(=O)C[NH+]1CCCC1 ZINC000984952747 1190324350 /nfs/dbraw/zinc/32/43/50/1190324350.db2.gz CUSYUWVVBUQZFJ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCN1C(=O)C[NH+]1CCCC1 ZINC000984952747 1190324359 /nfs/dbraw/zinc/32/43/59/1190324359.db2.gz CUSYUWVVBUQZFJ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4nncn4C)C[C@H]3C2)CC[N@H+]1C ZINC001088081759 1190466825 /nfs/dbraw/zinc/46/68/25/1190466825.db2.gz CWHQHLHXEZAVSL-NXOAAHMSSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088106372 1190589062 /nfs/dbraw/zinc/58/90/62/1190589062.db2.gz XWJZBKRBHUYRJL-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088106372 1190589065 /nfs/dbraw/zinc/58/90/65/1190589065.db2.gz XWJZBKRBHUYRJL-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088150677 1190673702 /nfs/dbraw/zinc/67/37/02/1190673702.db2.gz QKLXOZPNCKHXOJ-MSOLQXFVSA-N 2 1 360.506 0.790 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876601 1190796256 /nfs/dbraw/zinc/79/62/56/1190796256.db2.gz TUGOMGAHQAMGFT-LZLYRXPVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876601 1190796259 /nfs/dbraw/zinc/79/62/59/1190796259.db2.gz TUGOMGAHQAMGFT-LZLYRXPVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876601 1190796262 /nfs/dbraw/zinc/79/62/62/1190796262.db2.gz TUGOMGAHQAMGFT-LZLYRXPVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001075876601 1190796266 /nfs/dbraw/zinc/79/62/66/1190796266.db2.gz TUGOMGAHQAMGFT-LZLYRXPVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876638 1190796646 /nfs/dbraw/zinc/79/66/46/1190796646.db2.gz UNQLPRJWJGAGHI-LZLYRXPVSA-N 2 1 360.506 0.826 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876638 1190796648 /nfs/dbraw/zinc/79/66/48/1190796648.db2.gz UNQLPRJWJGAGHI-LZLYRXPVSA-N 2 1 360.506 0.826 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876638 1190796650 /nfs/dbraw/zinc/79/66/50/1190796650.db2.gz UNQLPRJWJGAGHI-LZLYRXPVSA-N 2 1 360.506 0.826 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876638 1190796653 /nfs/dbraw/zinc/79/66/53/1190796653.db2.gz UNQLPRJWJGAGHI-LZLYRXPVSA-N 2 1 360.506 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](CC)CC3)CC2)CC[N@@H+]1C ZINC000985828032 1190826042 /nfs/dbraw/zinc/82/60/42/1190826042.db2.gz FCASETAHEQLQHM-DLBZAZTESA-N 2 1 365.522 0.618 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](CC)CC3)CC2)CC[N@H+]1C ZINC000985828032 1190826044 /nfs/dbraw/zinc/82/60/44/1190826044.db2.gz FCASETAHEQLQHM-DLBZAZTESA-N 2 1 365.522 0.618 20 0 FCADMP Cn1cnnc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001276756873 1224112565 /nfs/dbraw/zinc/11/25/65/1224112565.db2.gz HENFVLJWPYVDPT-LJQANCHMSA-N 2 1 354.458 0.867 20 0 FCADMP Cn1cnnc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001276756873 1224112569 /nfs/dbraw/zinc/11/25/69/1224112569.db2.gz HENFVLJWPYVDPT-LJQANCHMSA-N 2 1 354.458 0.867 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001059679431 1190870659 /nfs/dbraw/zinc/87/06/59/1190870659.db2.gz JFSAXIUKCBHJDW-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC001059679431 1190870662 /nfs/dbraw/zinc/87/06/62/1190870662.db2.gz JFSAXIUKCBHJDW-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986125522 1190898770 /nfs/dbraw/zinc/89/87/70/1190898770.db2.gz BGECWOCAKJHJEH-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986125522 1190898772 /nfs/dbraw/zinc/89/87/72/1190898772.db2.gz BGECWOCAKJHJEH-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)CC[C@@H]3C2)C1 ZINC000986418482 1190983456 /nfs/dbraw/zinc/98/34/56/1190983456.db2.gz LYAZBEHYQSWWSD-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425237 1190987085 /nfs/dbraw/zinc/98/70/85/1190987085.db2.gz OVIOXJGAQAAITL-IKGGRYGDSA-N 2 1 360.502 0.483 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)C1 ZINC000986576755 1191044489 /nfs/dbraw/zinc/04/44/89/1191044489.db2.gz KDJLXWITXSIDGE-XHSDSOJGSA-N 2 1 359.474 0.601 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000988102195 1191148940 /nfs/dbraw/zinc/14/89/40/1191148940.db2.gz MLFLAODJQXXURT-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3CN(CCOCCOC)C[C@@H]32)CC[N@H+]1C ZINC001217932876 1224132901 /nfs/dbraw/zinc/13/29/01/1224132901.db2.gz PJUGNWMRHLKQLC-XWTMOSNGSA-N 2 1 369.506 0.291 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCOC)C[C@@H]32)CC[N@@H+]1C ZINC001217932876 1224132903 /nfs/dbraw/zinc/13/29/03/1224132903.db2.gz PJUGNWMRHLKQLC-XWTMOSNGSA-N 2 1 369.506 0.291 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCOC)C[C@@H]32)CC[N@H+]1C ZINC001217932876 1224132905 /nfs/dbraw/zinc/13/29/05/1224132905.db2.gz PJUGNWMRHLKQLC-XWTMOSNGSA-N 2 1 369.506 0.291 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCOC)C[C@@H]32)CC[NH+]1C ZINC001217932876 1224132907 /nfs/dbraw/zinc/13/29/07/1224132907.db2.gz PJUGNWMRHLKQLC-XWTMOSNGSA-N 2 1 369.506 0.291 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCOC)C[C@@H]32)CC[NH+]1C ZINC001217932876 1224132908 /nfs/dbraw/zinc/13/29/08/1224132908.db2.gz PJUGNWMRHLKQLC-XWTMOSNGSA-N 2 1 369.506 0.291 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897451209 1191195477 /nfs/dbraw/zinc/19/54/77/1191195477.db2.gz NYSLLLCUQPRDOS-HNNXBMFYSA-N 2 1 370.457 0.830 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001218037378 1224136176 /nfs/dbraw/zinc/13/61/76/1224136176.db2.gz KRNPVMAEXFPZKB-IXDOHACOSA-N 2 1 367.469 0.475 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001218037378 1224136177 /nfs/dbraw/zinc/13/61/77/1224136177.db2.gz KRNPVMAEXFPZKB-IXDOHACOSA-N 2 1 367.469 0.475 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4cncc4C3)[C@H]2C1 ZINC001218181625 1224145974 /nfs/dbraw/zinc/14/59/74/1224145974.db2.gz WHVRAADPMUYSMX-RYQLBKOJSA-N 2 1 362.474 0.784 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001218365752 1224156829 /nfs/dbraw/zinc/15/68/29/1224156829.db2.gz GBSNQRXIUZGZGD-SNVBAGLBSA-N 2 1 361.402 0.351 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000550653258 1193724964 /nfs/dbraw/zinc/72/49/64/1193724964.db2.gz IJEBJBJVQURMOT-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000550653258 1193724965 /nfs/dbraw/zinc/72/49/65/1193724965.db2.gz IJEBJBJVQURMOT-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000550653258 1193724969 /nfs/dbraw/zinc/72/49/69/1193724969.db2.gz IJEBJBJVQURMOT-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550780619 1193787190 /nfs/dbraw/zinc/78/71/90/1193787190.db2.gz IMSXQCPJLSLUFM-IRXDYDNUSA-N 2 1 367.538 0.119 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000550784392 1193792156 /nfs/dbraw/zinc/79/21/56/1193792156.db2.gz UWSNSVMBRKCTIB-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000550784392 1193792160 /nfs/dbraw/zinc/79/21/60/1193792160.db2.gz UWSNSVMBRKCTIB-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000550784392 1193792162 /nfs/dbraw/zinc/79/21/62/1193792162.db2.gz UWSNSVMBRKCTIB-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550899672 1193818948 /nfs/dbraw/zinc/81/89/48/1193818948.db2.gz XOYQRVLJFVHTNA-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000551075172 1193831967 /nfs/dbraw/zinc/83/19/67/1193831967.db2.gz SUBSCOMCCXZZKV-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000551173304 1193837232 /nfs/dbraw/zinc/83/72/32/1193837232.db2.gz VZAFPQVEOJYGHH-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000551173304 1193837235 /nfs/dbraw/zinc/83/72/35/1193837235.db2.gz VZAFPQVEOJYGHH-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000551173304 1193837237 /nfs/dbraw/zinc/83/72/37/1193837237.db2.gz VZAFPQVEOJYGHH-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105641469 1193844966 /nfs/dbraw/zinc/84/49/66/1193844966.db2.gz BNWBHNABLJAJDX-NPNMTCQASA-N 2 1 368.522 0.168 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)n1 ZINC001083469379 1193864101 /nfs/dbraw/zinc/86/41/01/1193864101.db2.gz QOKWYLFZSOMCID-MSOLQXFVSA-N 2 1 361.490 0.720 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5cncc5C4)[C@@H]3C2)cn1 ZINC001075961476 1193883855 /nfs/dbraw/zinc/88/38/55/1193883855.db2.gz PLZLNOHYDNEHRC-SOLBZPMBSA-N 2 1 354.458 0.912 20 0 FCADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757282 1193891698 /nfs/dbraw/zinc/89/16/98/1193891698.db2.gz QUOOSVVSYHJPAA-ANYXQNHYSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757282 1193891700 /nfs/dbraw/zinc/89/17/00/1193891700.db2.gz QUOOSVVSYHJPAA-ANYXQNHYSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757282 1193891702 /nfs/dbraw/zinc/89/17/02/1193891702.db2.gz QUOOSVVSYHJPAA-ANYXQNHYSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757282 1193891704 /nfs/dbraw/zinc/89/17/04/1193891704.db2.gz QUOOSVVSYHJPAA-ANYXQNHYSA-N 2 1 360.458 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCOc3ccc(F)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472342 1193899985 /nfs/dbraw/zinc/89/99/85/1193899985.db2.gz SBBMQIUANBXBOE-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472342 1193899986 /nfs/dbraw/zinc/89/99/86/1193899986.db2.gz SBBMQIUANBXBOE-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472342 1193899990 /nfs/dbraw/zinc/89/99/90/1193899990.db2.gz SBBMQIUANBXBOE-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472342 1193899991 /nfs/dbraw/zinc/89/99/91/1193899991.db2.gz SBBMQIUANBXBOE-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472342 1193899993 /nfs/dbraw/zinc/89/99/93/1193899993.db2.gz SBBMQIUANBXBOE-PILAGYSTSA-N 2 1 365.449 0.706 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472881 1193904797 /nfs/dbraw/zinc/90/47/97/1193904797.db2.gz VGPSXTZTYRNRIE-PILAGYSTSA-N 2 1 374.485 0.048 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472881 1193904805 /nfs/dbraw/zinc/90/48/05/1193904805.db2.gz VGPSXTZTYRNRIE-PILAGYSTSA-N 2 1 374.485 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472881 1193904807 /nfs/dbraw/zinc/90/48/07/1193904807.db2.gz VGPSXTZTYRNRIE-PILAGYSTSA-N 2 1 374.485 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472881 1193904811 /nfs/dbraw/zinc/90/48/11/1193904811.db2.gz VGPSXTZTYRNRIE-PILAGYSTSA-N 2 1 374.485 0.048 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(OC)nc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474507 1193906371 /nfs/dbraw/zinc/90/63/71/1193906371.db2.gz LAVVXVVRCXQASS-HZMVEIRTSA-N 2 1 362.474 0.482 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC001218579565 1224176933 /nfs/dbraw/zinc/17/69/33/1224176933.db2.gz FRAOLNDUIFKOFK-DOTOQJQBSA-N 2 1 373.505 0.241 20 0 FCADMP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668138 1193946890 /nfs/dbraw/zinc/94/68/90/1193946890.db2.gz HYGGNOVSSGVWOQ-RWQQGDIJSA-N 2 1 364.490 0.804 20 0 FCADMP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668136 1193946909 /nfs/dbraw/zinc/94/69/09/1193946909.db2.gz HYGGNOVSSGVWOQ-FPAYPSAMSA-N 2 1 364.490 0.804 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000553094137 1193971403 /nfs/dbraw/zinc/97/14/03/1193971403.db2.gz VBJMKWNCJMVABL-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)C[NH2+]CCC[NH3+] ZINC001218612790 1224182504 /nfs/dbraw/zinc/18/25/04/1224182504.db2.gz FOVGHURMLGGQAD-UHFFFAOYSA-N 2 1 359.430 0.985 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624879 1224185467 /nfs/dbraw/zinc/18/54/67/1224185467.db2.gz XCXKATOKLLXEDD-OKZBNKHCSA-N 2 1 371.522 0.681 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624879 1224185470 /nfs/dbraw/zinc/18/54/70/1224185470.db2.gz XCXKATOKLLXEDD-OKZBNKHCSA-N 2 1 371.522 0.681 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000553685652 1194015428 /nfs/dbraw/zinc/01/54/28/1194015428.db2.gz ZGVXYDXFJJFJHG-QGZVFWFLSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000553686949 1194015457 /nfs/dbraw/zinc/01/54/57/1194015457.db2.gz MYEZYKGZIZWBQB-JYJNAYRXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000553686949 1194015462 /nfs/dbraw/zinc/01/54/62/1194015462.db2.gz MYEZYKGZIZWBQB-JYJNAYRXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000553686949 1194015466 /nfs/dbraw/zinc/01/54/66/1194015466.db2.gz MYEZYKGZIZWBQB-JYJNAYRXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC000553686949 1194015472 /nfs/dbraw/zinc/01/54/72/1194015472.db2.gz MYEZYKGZIZWBQB-JYJNAYRXSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641409 1224187940 /nfs/dbraw/zinc/18/79/40/1224187940.db2.gz RGTCXABVJQXAIY-INIZCTEOSA-N 2 1 354.458 0.830 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641409 1224187943 /nfs/dbraw/zinc/18/79/43/1224187943.db2.gz RGTCXABVJQXAIY-INIZCTEOSA-N 2 1 354.458 0.830 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000898594619 1194049004 /nfs/dbraw/zinc/04/90/04/1194049004.db2.gz PVPHBEPXNNGTQJ-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898594619 1194049010 /nfs/dbraw/zinc/04/90/10/1194049010.db2.gz PVPHBEPXNNGTQJ-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898594619 1194049014 /nfs/dbraw/zinc/04/90/14/1194049014.db2.gz PVPHBEPXNNGTQJ-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000842191481 1194086441 /nfs/dbraw/zinc/08/64/41/1194086441.db2.gz YDKZWHMXYQKBMD-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675811 1194104621 /nfs/dbraw/zinc/10/46/21/1194104621.db2.gz RSQSPPLZNZGAJU-OHDICMOHSA-N 2 1 368.522 0.039 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675810 1194105018 /nfs/dbraw/zinc/10/50/18/1194105018.db2.gz RSQSPPLZNZGAJU-LTDCPUDJSA-N 2 1 368.522 0.039 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815225 1194107475 /nfs/dbraw/zinc/10/74/75/1194107475.db2.gz FEVKJGFZQLDXRX-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815225 1194107477 /nfs/dbraw/zinc/10/74/77/1194107477.db2.gz FEVKJGFZQLDXRX-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815225 1194107484 /nfs/dbraw/zinc/10/74/84/1194107484.db2.gz FEVKJGFZQLDXRX-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)C1 ZINC001088815225 1194107491 /nfs/dbraw/zinc/10/74/91/1194107491.db2.gz FEVKJGFZQLDXRX-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083522969 1194144217 /nfs/dbraw/zinc/14/42/17/1194144217.db2.gz GFGTVILLFWBFHM-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083522969 1194144220 /nfs/dbraw/zinc/14/42/20/1194144220.db2.gz GFGTVILLFWBFHM-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001083522969 1194144221 /nfs/dbraw/zinc/14/42/21/1194144221.db2.gz GFGTVILLFWBFHM-QRVBRYPASA-N 2 1 365.518 0.981 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C1 ZINC001218696093 1224198419 /nfs/dbraw/zinc/19/84/19/1224198419.db2.gz MWMBSJHWTDALAD-INIZCTEOSA-N 2 1 360.506 0.821 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001076203878 1194352389 /nfs/dbraw/zinc/35/23/89/1194352389.db2.gz HRTCWRJOHRNOTR-OKZBNKHCSA-N 2 1 361.490 0.119 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001076206362 1194353698 /nfs/dbraw/zinc/35/36/98/1194353698.db2.gz LCXZMCXBNVBBJK-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001076206362 1194353700 /nfs/dbraw/zinc/35/37/00/1194353700.db2.gz LCXZMCXBNVBBJK-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]31)C2 ZINC001076245598 1194371526 /nfs/dbraw/zinc/37/15/26/1194371526.db2.gz JSYQBIMPOFGRHH-XYJFISCASA-N 2 1 369.473 0.578 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]31)C2 ZINC001076245598 1194371531 /nfs/dbraw/zinc/37/15/31/1194371531.db2.gz JSYQBIMPOFGRHH-XYJFISCASA-N 2 1 369.473 0.578 20 0 FCADMP CC[C@@H](C(N)=O)N1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001276794615 1224212516 /nfs/dbraw/zinc/21/25/16/1224212516.db2.gz OQEITLOPFJJLFS-CABCVRRESA-N 2 1 368.522 0.314 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(CCN(Cc3ncccn3)C2=O)C1 ZINC001276794848 1224213801 /nfs/dbraw/zinc/21/38/01/1224213801.db2.gz BYGPUPAVKGTCGP-BEFAXECRSA-N 2 1 361.490 0.650 20 0 FCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345182 1194406385 /nfs/dbraw/zinc/40/63/85/1194406385.db2.gz SADWJKPHEOTLOW-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345182 1194406391 /nfs/dbraw/zinc/40/63/91/1194406391.db2.gz SADWJKPHEOTLOW-MAUKXSAKSA-N 2 1 371.489 0.525 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076365785 1194420714 /nfs/dbraw/zinc/42/07/14/1194420714.db2.gz NFXFUJUEZAQTCT-RCCFBDPRSA-N 2 1 356.470 0.783 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076365784 1194421066 /nfs/dbraw/zinc/42/10/66/1194421066.db2.gz NFXFUJUEZAQTCT-OKZBNKHCSA-N 2 1 356.470 0.783 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076406584 1194452491 /nfs/dbraw/zinc/45/24/91/1194452491.db2.gz SEGSLFZDGMVKOB-RRQGHBQHSA-N 2 1 366.425 0.302 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076406584 1194452499 /nfs/dbraw/zinc/45/24/99/1194452499.db2.gz SEGSLFZDGMVKOB-RRQGHBQHSA-N 2 1 366.425 0.302 20 0 FCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407635 1194453427 /nfs/dbraw/zinc/45/34/27/1194453427.db2.gz OGWUIGJFDRQDAW-MAUKXSAKSA-N 2 1 361.490 0.564 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407635 1194453429 /nfs/dbraw/zinc/45/34/29/1194453429.db2.gz OGWUIGJFDRQDAW-MAUKXSAKSA-N 2 1 361.490 0.564 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])COC(C)=O)cc1 ZINC001218855179 1224240678 /nfs/dbraw/zinc/24/06/78/1224240678.db2.gz GDPJNJCHDHYRGZ-INIZCTEOSA-N 2 1 364.446 0.587 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218872905 1224243755 /nfs/dbraw/zinc/24/37/55/1224243755.db2.gz CKUTXRUDJWIBGJ-SFHVURJKSA-N 2 1 363.506 0.456 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077004277 1195139680 /nfs/dbraw/zinc/13/96/80/1195139680.db2.gz WQVUVEYAJFIRIH-IPMKNSEASA-N 2 1 359.470 0.569 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077004277 1195139688 /nfs/dbraw/zinc/13/96/88/1195139688.db2.gz WQVUVEYAJFIRIH-IPMKNSEASA-N 2 1 359.470 0.569 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CCC1 ZINC001083563562 1195222590 /nfs/dbraw/zinc/22/25/90/1195222590.db2.gz VQHBGJRGJRUZOQ-SQNIBIBYSA-N 2 1 365.518 0.839 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127798 1195242942 /nfs/dbraw/zinc/24/29/42/1195242942.db2.gz IZGOCWODENRUPK-KBAYOESNSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127798 1195242944 /nfs/dbraw/zinc/24/29/44/1195242944.db2.gz IZGOCWODENRUPK-KBAYOESNSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127798 1195242951 /nfs/dbraw/zinc/24/29/51/1195242951.db2.gz IZGOCWODENRUPK-KBAYOESNSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127798 1195242959 /nfs/dbraw/zinc/24/29/59/1195242959.db2.gz IZGOCWODENRUPK-KBAYOESNSA-N 2 1 363.506 0.368 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2O)O1 ZINC001077220934 1195330187 /nfs/dbraw/zinc/33/01/87/1195330187.db2.gz WOQBSLUKOIVYSS-LMFCIFFHSA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2O)O1 ZINC001077220934 1195330191 /nfs/dbraw/zinc/33/01/91/1195330191.db2.gz WOQBSLUKOIVYSS-LMFCIFFHSA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]2O)O1 ZINC001077220934 1195330195 /nfs/dbraw/zinc/33/01/95/1195330195.db2.gz WOQBSLUKOIVYSS-LMFCIFFHSA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)O1 ZINC001077220934 1195330199 /nfs/dbraw/zinc/33/01/99/1195330199.db2.gz WOQBSLUKOIVYSS-LMFCIFFHSA-N 2 1 373.497 0.944 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077233192 1195341536 /nfs/dbraw/zinc/34/15/36/1195341536.db2.gz NUDMWMDIMMECNY-DAXOMENPSA-N 2 1 367.413 0.117 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077233192 1195341544 /nfs/dbraw/zinc/34/15/44/1195341544.db2.gz NUDMWMDIMMECNY-DAXOMENPSA-N 2 1 367.413 0.117 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276020 1195376341 /nfs/dbraw/zinc/37/63/41/1195376341.db2.gz IEFMGAPQZNZESK-QZTJIDSGSA-N 2 1 368.441 0.394 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276020 1195376344 /nfs/dbraw/zinc/37/63/44/1195376344.db2.gz IEFMGAPQZNZESK-QZTJIDSGSA-N 2 1 368.441 0.394 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276167 1195376694 /nfs/dbraw/zinc/37/66/94/1195376694.db2.gz PCDHRUBKSRJJIF-KBAYOESNSA-N 2 1 358.442 0.987 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077309054 1195410627 /nfs/dbraw/zinc/41/06/27/1195410627.db2.gz YUYPILWKEOADCP-GVDBMIGSSA-N 2 1 358.442 0.924 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219004309 1224283850 /nfs/dbraw/zinc/28/38/50/1224283850.db2.gz FSXNDIZVMAAQBQ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]21 ZINC001219004290 1224284257 /nfs/dbraw/zinc/28/42/57/1224284257.db2.gz FHXQMCALSKLPHC-ZWKOTPCHSA-N 2 1 363.506 0.606 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)cc2C1 ZINC000904509197 1195540590 /nfs/dbraw/zinc/54/05/90/1195540590.db2.gz DORPBMVIYTWPEA-ZTFGCOKTSA-N 2 1 359.474 0.961 20 0 FCADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905046418 1195571816 /nfs/dbraw/zinc/57/18/16/1195571816.db2.gz ADFOGQMGVZSYQZ-WOJBJXKFSA-N 2 1 363.502 0.426 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000906213553 1195616857 /nfs/dbraw/zinc/61/68/57/1195616857.db2.gz JCIQBEDJBPEFGG-UHFFFAOYSA-N 3 1 369.473 0.747 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@@H](C)C1 ZINC000906219237 1195617655 /nfs/dbraw/zinc/61/76/55/1195617655.db2.gz QZAQXCQMRYCUOW-HNNXBMFYSA-N 2 1 363.462 0.058 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@@H](C)C1 ZINC000906219237 1195617659 /nfs/dbraw/zinc/61/76/59/1195617659.db2.gz QZAQXCQMRYCUOW-HNNXBMFYSA-N 2 1 363.462 0.058 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221658 1195617921 /nfs/dbraw/zinc/61/79/21/1195617921.db2.gz XHLBEBHTUTZNGV-IAGOWNOFSA-N 2 1 361.490 0.721 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000906853029 1195668797 /nfs/dbraw/zinc/66/87/97/1195668797.db2.gz QTCJVWRHJDVWLK-HXUWFJFHSA-N 2 1 360.502 0.233 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000906853029 1195668799 /nfs/dbraw/zinc/66/87/99/1195668799.db2.gz QTCJVWRHJDVWLK-HXUWFJFHSA-N 2 1 360.502 0.233 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000906853029 1195668802 /nfs/dbraw/zinc/66/88/02/1195668802.db2.gz QTCJVWRHJDVWLK-HXUWFJFHSA-N 2 1 360.502 0.233 20 0 FCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000907160168 1195681841 /nfs/dbraw/zinc/68/18/41/1195681841.db2.gz UUZQRRXXQWJOHM-UHFFFAOYSA-N 2 1 365.566 0.497 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000907160168 1195681845 /nfs/dbraw/zinc/68/18/45/1195681845.db2.gz UUZQRRXXQWJOHM-UHFFFAOYSA-N 2 1 365.566 0.497 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000907160168 1195681846 /nfs/dbraw/zinc/68/18/46/1195681846.db2.gz UUZQRRXXQWJOHM-UHFFFAOYSA-N 2 1 365.566 0.497 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000907290151 1195688694 /nfs/dbraw/zinc/68/86/94/1195688694.db2.gz AWTIRYPZICMDQK-SFHVURJKSA-N 2 1 371.485 0.941 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907555876 1195700781 /nfs/dbraw/zinc/70/07/81/1195700781.db2.gz ZEUMTJWDYJGXQT-MISYRCLQSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907555876 1195700786 /nfs/dbraw/zinc/70/07/86/1195700786.db2.gz ZEUMTJWDYJGXQT-MISYRCLQSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907555876 1195700790 /nfs/dbraw/zinc/70/07/90/1195700790.db2.gz ZEUMTJWDYJGXQT-MISYRCLQSA-N 2 1 361.486 0.537 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236561 1195734716 /nfs/dbraw/zinc/73/47/16/1195734716.db2.gz GRZZMQABBWJWEV-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000908236561 1195734720 /nfs/dbraw/zinc/73/47/20/1195734720.db2.gz GRZZMQABBWJWEV-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000908236561 1195734728 /nfs/dbraw/zinc/73/47/28/1195734728.db2.gz GRZZMQABBWJWEV-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)C1 ZINC000908236564 1195735452 /nfs/dbraw/zinc/73/54/52/1195735452.db2.gz GRZZMQABBWJWEV-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000908236564 1195735460 /nfs/dbraw/zinc/73/54/60/1195735460.db2.gz GRZZMQABBWJWEV-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000908236564 1195735472 /nfs/dbraw/zinc/73/54/72/1195735472.db2.gz GRZZMQABBWJWEV-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP O=C(CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)NCC[NH+]1CCCCC1 ZINC000909315338 1195793154 /nfs/dbraw/zinc/79/31/54/1195793154.db2.gz NCHDKJJKIXFFAB-UHFFFAOYSA-N 2 1 356.430 0.599 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630764 1195802642 /nfs/dbraw/zinc/80/26/42/1195802642.db2.gz MMVTZMGDXXEZQB-QGTPRVQTSA-N 2 1 371.441 0.469 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000910991509 1195874178 /nfs/dbraw/zinc/87/41/78/1195874178.db2.gz GXZGVZNRQVRCAE-KBAYOESNSA-N 2 1 374.485 0.200 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911178188 1195911795 /nfs/dbraw/zinc/91/17/95/1195911795.db2.gz YNPWDFFZWYJUOR-SOLBZPMBSA-N 2 1 373.501 0.119 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000911216767 1195916801 /nfs/dbraw/zinc/91/68/01/1195916801.db2.gz URXVEGAHHAZJLA-MXSMSXNCSA-N 2 1 358.486 0.961 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[nH+]c1 ZINC000911301892 1195931046 /nfs/dbraw/zinc/93/10/46/1195931046.db2.gz FPBZROOOSWUZHH-UHFFFAOYSA-N 2 1 353.426 0.838 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644634 1195933260 /nfs/dbraw/zinc/93/32/60/1195933260.db2.gz OUFXRAHAVBKFFX-QGTPRVQTSA-N 2 1 358.442 0.926 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054963 1224324157 /nfs/dbraw/zinc/32/41/57/1224324157.db2.gz PVWWKWZMJODYNW-HRCADAONSA-N 2 1 362.478 0.017 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054963 1224324163 /nfs/dbraw/zinc/32/41/63/1224324163.db2.gz PVWWKWZMJODYNW-HRCADAONSA-N 2 1 362.478 0.017 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054963 1224324172 /nfs/dbraw/zinc/32/41/72/1224324172.db2.gz PVWWKWZMJODYNW-HRCADAONSA-N 2 1 362.478 0.017 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054963 1224324181 /nfs/dbraw/zinc/32/41/81/1224324181.db2.gz PVWWKWZMJODYNW-HRCADAONSA-N 2 1 362.478 0.017 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654383 1196347190 /nfs/dbraw/zinc/34/71/90/1196347190.db2.gz LKCWSZSPASEAEI-PBIMCDDKSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654383 1196347195 /nfs/dbraw/zinc/34/71/95/1196347195.db2.gz LKCWSZSPASEAEI-PBIMCDDKSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654383 1196347198 /nfs/dbraw/zinc/34/71/98/1196347198.db2.gz LKCWSZSPASEAEI-PBIMCDDKSA-N 2 1 357.454 0.211 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)C[C@H]2C(=O)N(C)C ZINC001168394576 1196498068 /nfs/dbraw/zinc/49/80/68/1196498068.db2.gz CJQQOMOIAXOROL-SFHVURJKSA-N 2 1 362.518 0.729 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@H]1C ZINC000592565966 1196569030 /nfs/dbraw/zinc/56/90/30/1196569030.db2.gz FYSKMPOQRJLQQR-ZIAGYGMSSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@H]1C ZINC000592565966 1196569034 /nfs/dbraw/zinc/56/90/34/1196569034.db2.gz FYSKMPOQRJLQQR-ZIAGYGMSSA-N 2 1 363.462 0.429 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592959827 1196601339 /nfs/dbraw/zinc/60/13/39/1196601339.db2.gz WSIIURMQLWGWCU-KGLIPLIRSA-N 2 1 362.478 0.036 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105974181 1196761317 /nfs/dbraw/zinc/76/13/17/1196761317.db2.gz PQUAFPDTAHDGBE-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105974181 1196761323 /nfs/dbraw/zinc/76/13/23/1196761323.db2.gz PQUAFPDTAHDGBE-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001105978522 1196763288 /nfs/dbraw/zinc/76/32/88/1196763288.db2.gz IMCVNJYRTNYHQP-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001105978522 1196763291 /nfs/dbraw/zinc/76/32/91/1196763291.db2.gz IMCVNJYRTNYHQP-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1CC(=O)NC1CCOCC1 ZINC001088859837 1196805581 /nfs/dbraw/zinc/80/55/81/1196805581.db2.gz NZSPPVAOTCQCTH-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001060395418 1196822604 /nfs/dbraw/zinc/82/26/04/1196822604.db2.gz ZTPZRQUIDPUTSS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001060395418 1196822606 /nfs/dbraw/zinc/82/26/06/1196822606.db2.gz ZTPZRQUIDPUTSS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001060395418 1196822609 /nfs/dbraw/zinc/82/26/09/1196822609.db2.gz ZTPZRQUIDPUTSS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001060395418 1196822610 /nfs/dbraw/zinc/82/26/10/1196822610.db2.gz ZTPZRQUIDPUTSS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001060395418 1196822612 /nfs/dbraw/zinc/82/26/12/1196822612.db2.gz ZTPZRQUIDPUTSS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001060395417 1196822715 /nfs/dbraw/zinc/82/27/15/1196822715.db2.gz ZTPZRQUIDPUTSS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001060395417 1196822718 /nfs/dbraw/zinc/82/27/18/1196822718.db2.gz ZTPZRQUIDPUTSS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001060395417 1196822720 /nfs/dbraw/zinc/82/27/20/1196822720.db2.gz ZTPZRQUIDPUTSS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001060395417 1196822722 /nfs/dbraw/zinc/82/27/22/1196822722.db2.gz ZTPZRQUIDPUTSS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001060395417 1196822725 /nfs/dbraw/zinc/82/27/25/1196822725.db2.gz ZTPZRQUIDPUTSS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897292 1196830489 /nfs/dbraw/zinc/83/04/89/1196830489.db2.gz CESYLRDEZMWGLG-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088899332 1196831069 /nfs/dbraw/zinc/83/10/69/1196831069.db2.gz YTZHSOBSLOYVAF-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088899332 1196831070 /nfs/dbraw/zinc/83/10/70/1196831070.db2.gz YTZHSOBSLOYVAF-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)CC2 ZINC000992087580 1196944189 /nfs/dbraw/zinc/94/41/89/1196944189.db2.gz BZSGOMSWMZROIH-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)CC2 ZINC000992087580 1196944195 /nfs/dbraw/zinc/94/41/95/1196944195.db2.gz BZSGOMSWMZROIH-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1)C1CCC1 ZINC000913741483 1197120521 /nfs/dbraw/zinc/12/05/21/1197120521.db2.gz RIWNFPYMTYQRRL-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1)C1CCC1 ZINC000913741483 1197120523 /nfs/dbraw/zinc/12/05/23/1197120523.db2.gz RIWNFPYMTYQRRL-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1)C1CCC1 ZINC000913741483 1197120525 /nfs/dbraw/zinc/12/05/25/1197120525.db2.gz RIWNFPYMTYQRRL-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CC[N@H+]1CCC[C@]2(CNC(=O)C2)C1)[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949064 1197157836 /nfs/dbraw/zinc/15/78/36/1197157836.db2.gz MIZOOBUZGUNJKD-UXPWSPDFSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@]2(CNC(=O)C2)C1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949064 1197157845 /nfs/dbraw/zinc/15/78/45/1197157845.db2.gz MIZOOBUZGUNJKD-UXPWSPDFSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@]2(CNC(=O)C2)C1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949064 1197157853 /nfs/dbraw/zinc/15/78/53/1197157853.db2.gz MIZOOBUZGUNJKD-UXPWSPDFSA-N 2 1 362.518 0.969 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236491 1224396831 /nfs/dbraw/zinc/39/68/31/1224396831.db2.gz VGASJMFBWHAIIG-YJBOKZPZSA-N 2 1 360.506 0.303 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149772 1197309167 /nfs/dbraw/zinc/30/91/67/1197309167.db2.gz RDEMISVMZIGTEC-JOCBIADPSA-N 2 1 368.522 0.163 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219260204 1224406333 /nfs/dbraw/zinc/40/63/33/1224406333.db2.gz LFQHNFTUHGWAGD-JSGCOSHPSA-N 2 1 360.414 0.513 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049967 1197741855 /nfs/dbraw/zinc/74/18/55/1197741855.db2.gz ZPGCTPLRABZILU-GQIGUUNPSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049967 1197741868 /nfs/dbraw/zinc/74/18/68/1197741868.db2.gz ZPGCTPLRABZILU-GQIGUUNPSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049967 1197741876 /nfs/dbraw/zinc/74/18/76/1197741876.db2.gz ZPGCTPLRABZILU-GQIGUUNPSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001106245048 1197776380 /nfs/dbraw/zinc/77/63/80/1197776380.db2.gz YZZRQOCZQWTLGF-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085377349 1197851918 /nfs/dbraw/zinc/85/19/18/1197851918.db2.gz TVQYBWXMXXHGQA-BRWVUGGUSA-N 2 1 368.441 0.786 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106322348 1197865214 /nfs/dbraw/zinc/86/52/14/1197865214.db2.gz MABFPWXYUVBYOB-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106322411 1197865524 /nfs/dbraw/zinc/86/55/24/1197865524.db2.gz OBYNEZCSBAPAHK-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000761978853 1197878981 /nfs/dbraw/zinc/87/89/81/1197878981.db2.gz AHJADEFQMBPMJT-OALUTQOASA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000761978853 1197878986 /nfs/dbraw/zinc/87/89/86/1197878986.db2.gz AHJADEFQMBPMJT-OALUTQOASA-N 2 1 361.486 0.708 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001085423365 1197888193 /nfs/dbraw/zinc/88/81/93/1197888193.db2.gz MEWNPXLNJLIPCQ-BZUAXINKSA-N 2 1 357.462 0.988 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085424437 1197889312 /nfs/dbraw/zinc/88/93/12/1197889312.db2.gz OIOFLOQJSZDIBD-HZPDHXFCSA-N 2 1 363.462 0.067 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000762113926 1197913198 /nfs/dbraw/zinc/91/31/98/1197913198.db2.gz RVOCUVZSZAXYKA-OALUTQOASA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000762113926 1197913199 /nfs/dbraw/zinc/91/31/99/1197913199.db2.gz RVOCUVZSZAXYKA-OALUTQOASA-N 2 1 361.486 0.708 20 0 FCADMP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322883 1198026917 /nfs/dbraw/zinc/02/69/17/1198026917.db2.gz ZQWJFALNNPYABR-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322883 1198026922 /nfs/dbraw/zinc/02/69/22/1198026922.db2.gz ZQWJFALNNPYABR-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001066339257 1198045879 /nfs/dbraw/zinc/04/58/79/1198045879.db2.gz PQTYCKJETHICET-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001086120419 1198180001 /nfs/dbraw/zinc/18/00/01/1198180001.db2.gz YMTCIQLVGJAHFT-BPKGMFCQSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)O1 ZINC001086120419 1198180011 /nfs/dbraw/zinc/18/00/11/1198180011.db2.gz YMTCIQLVGJAHFT-BPKGMFCQSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001086120544 1198182106 /nfs/dbraw/zinc/18/21/06/1198182106.db2.gz CWPGHTXSWFRDAK-WCXIOVBPSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001086120544 1198182113 /nfs/dbraw/zinc/18/21/13/1198182113.db2.gz CWPGHTXSWFRDAK-WCXIOVBPSA-N 2 1 366.506 0.202 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001086120915 1198183036 /nfs/dbraw/zinc/18/30/36/1198183036.db2.gz SALAXHIDGPMGKT-MXASKKJJSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001086120915 1198183055 /nfs/dbraw/zinc/18/30/55/1198183055.db2.gz SALAXHIDGPMGKT-MXASKKJJSA-N 2 1 362.474 0.794 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086205191 1198254895 /nfs/dbraw/zinc/25/48/95/1198254895.db2.gz FGISWVHQSCQWQN-XXQMMXQMSA-N 2 1 370.497 0.705 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC001086369797 1198330826 /nfs/dbraw/zinc/33/08/26/1198330826.db2.gz AZKDPSMFKCVULE-PGZVSCLCSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001086371010 1198331929 /nfs/dbraw/zinc/33/19/29/1198331929.db2.gz LKJXSTCXMFQLHE-KBUPBQIOSA-N 2 1 362.478 0.133 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CC[N@H+]1C ZINC001086371046 1198332059 /nfs/dbraw/zinc/33/20/59/1198332059.db2.gz NJHLKLWBYKVMMB-OVYGPGRDSA-N 2 1 360.506 0.980 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)O1 ZINC001086400739 1198356733 /nfs/dbraw/zinc/35/67/33/1198356733.db2.gz VFPDKZAJFMIIDB-POGZOPGASA-N 2 1 361.486 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)O1 ZINC001086400739 1198356736 /nfs/dbraw/zinc/35/67/36/1198356736.db2.gz VFPDKZAJFMIIDB-POGZOPGASA-N 2 1 361.486 0.924 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001169125273 1199046070 /nfs/dbraw/zinc/04/60/70/1199046070.db2.gz YATIOZZABFBWKE-ZQQZQOJVSA-N 2 1 374.489 0.027 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001169125272 1199046420 /nfs/dbraw/zinc/04/64/20/1199046420.db2.gz YATIOZZABFBWKE-AUOOEQCUSA-N 2 1 374.489 0.027 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129334263 1199070840 /nfs/dbraw/zinc/07/08/40/1199070840.db2.gz YBAVWFBGEKMXDQ-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219724328 1224576929 /nfs/dbraw/zinc/57/69/29/1224576929.db2.gz HBSAKOJMXRYZRL-ZACQAIPSSA-N 2 1 369.485 0.341 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219724328 1224576938 /nfs/dbraw/zinc/57/69/38/1224576938.db2.gz HBSAKOJMXRYZRL-ZACQAIPSSA-N 2 1 369.485 0.341 20 0 FCADMP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219741275 1224587668 /nfs/dbraw/zinc/58/76/68/1224587668.db2.gz FZDKRJUTZANBKK-AEFFLSMTSA-N 2 1 364.534 0.868 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384732 1200087988 /nfs/dbraw/zinc/08/79/88/1200087988.db2.gz AEOXBUJPMDABFE-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384732 1200088002 /nfs/dbraw/zinc/08/80/02/1200088002.db2.gz AEOXBUJPMDABFE-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384732 1200088012 /nfs/dbraw/zinc/08/80/12/1200088012.db2.gz AEOXBUJPMDABFE-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129384951 1200089958 /nfs/dbraw/zinc/08/99/58/1200089958.db2.gz CMEJZJISPZBPBI-CVEARBPZSA-N 2 1 362.478 0.142 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109361445 1200204975 /nfs/dbraw/zinc/20/49/75/1200204975.db2.gz WPEUYKIOAIMEAB-NCOADZHNSA-N 2 1 368.497 0.914 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001109361445 1200204981 /nfs/dbraw/zinc/20/49/81/1200204981.db2.gz WPEUYKIOAIMEAB-NCOADZHNSA-N 2 1 368.497 0.914 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410570 1200252358 /nfs/dbraw/zinc/25/23/58/1200252358.db2.gz KAYYTQHYVMHGGX-BDXSIMOUSA-N 2 1 369.506 0.216 20 0 FCADMP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410570 1200252361 /nfs/dbraw/zinc/25/23/61/1200252361.db2.gz KAYYTQHYVMHGGX-BDXSIMOUSA-N 2 1 369.506 0.216 20 0 FCADMP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410570 1200252362 /nfs/dbraw/zinc/25/23/62/1200252362.db2.gz KAYYTQHYVMHGGX-BDXSIMOUSA-N 2 1 369.506 0.216 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001109469960 1200310770 /nfs/dbraw/zinc/31/07/70/1200310770.db2.gz OPSMLNPYYSJFBS-QZWWFDLISA-N 2 1 357.458 0.518 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001109469960 1200310783 /nfs/dbraw/zinc/31/07/83/1200310783.db2.gz OPSMLNPYYSJFBS-QZWWFDLISA-N 2 1 357.458 0.518 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001109470416 1200312888 /nfs/dbraw/zinc/31/28/88/1200312888.db2.gz WIQKUPKTOLOLIE-VSZNYVQBSA-N 2 1 371.485 0.908 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001109470416 1200312900 /nfs/dbraw/zinc/31/29/00/1200312900.db2.gz WIQKUPKTOLOLIE-VSZNYVQBSA-N 2 1 371.485 0.908 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470669 1200313876 /nfs/dbraw/zinc/31/38/76/1200313876.db2.gz HWUYMQHRZUMYMQ-QZWWFDLISA-N 2 1 359.474 0.893 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470669 1200313884 /nfs/dbraw/zinc/31/38/84/1200313884.db2.gz HWUYMQHRZUMYMQ-QZWWFDLISA-N 2 1 359.474 0.893 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109471029 1200314395 /nfs/dbraw/zinc/31/43/95/1200314395.db2.gz ROMBEYUGAMYEOV-SIXLDLHFSA-N 2 1 359.474 0.764 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109471029 1200314403 /nfs/dbraw/zinc/31/44/03/1200314403.db2.gz ROMBEYUGAMYEOV-SIXLDLHFSA-N 2 1 359.474 0.764 20 0 FCADMP COC(=O)C[C@@]1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCOC1 ZINC000770675793 1200469841 /nfs/dbraw/zinc/46/98/41/1200469841.db2.gz GATNSAJASYOAAN-SFHVURJKSA-N 2 1 363.462 0.430 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724355 1200482958 /nfs/dbraw/zinc/48/29/58/1200482958.db2.gz OHSNCDDWCDCTIQ-CBBWQLFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724355 1200482963 /nfs/dbraw/zinc/48/29/63/1200482963.db2.gz OHSNCDDWCDCTIQ-CBBWQLFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724355 1200482966 /nfs/dbraw/zinc/48/29/66/1200482966.db2.gz OHSNCDDWCDCTIQ-CBBWQLFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001109724355 1200482968 /nfs/dbraw/zinc/48/29/68/1200482968.db2.gz OHSNCDDWCDCTIQ-CBBWQLFWSA-N 2 1 364.490 0.491 20 0 FCADMP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001109735753 1200494894 /nfs/dbraw/zinc/49/48/94/1200494894.db2.gz VLHBQZMUCRAEJC-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001109735753 1200494899 /nfs/dbraw/zinc/49/48/99/1200494899.db2.gz VLHBQZMUCRAEJC-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219796318 1224617539 /nfs/dbraw/zinc/61/75/39/1224617539.db2.gz VMEKNILJWKWTDP-OALUTQOASA-N 2 1 363.550 0.535 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@@H]2O)CCC1 ZINC001219798108 1224618038 /nfs/dbraw/zinc/61/80/38/1224618038.db2.gz FAIRFVDOAFQKNW-BBWFWOEESA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@@H]2O)CCC1 ZINC001219798108 1224618044 /nfs/dbraw/zinc/61/80/44/1224618044.db2.gz FAIRFVDOAFQKNW-BBWFWOEESA-N 2 1 369.506 0.218 20 0 FCADMP Cn1nccc1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848050 1200559612 /nfs/dbraw/zinc/55/96/12/1200559612.db2.gz TUNUUYPTBIROFI-SQNIBIBYSA-N 2 1 361.490 0.406 20 0 FCADMP Cn1nccc1CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848050 1200559620 /nfs/dbraw/zinc/55/96/20/1200559620.db2.gz TUNUUYPTBIROFI-SQNIBIBYSA-N 2 1 361.490 0.406 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)CC1 ZINC001109902571 1200601282 /nfs/dbraw/zinc/60/12/82/1200601282.db2.gz QKZFWFULNHGILS-PVAVHDDUSA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)CC1 ZINC001109902571 1200601285 /nfs/dbraw/zinc/60/12/85/1200601285.db2.gz QKZFWFULNHGILS-PVAVHDDUSA-N 2 1 364.490 0.051 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219804137 1224622409 /nfs/dbraw/zinc/62/24/09/1224622409.db2.gz NPWDEALLPSEINJ-CEXWTWQISA-N 2 1 360.502 0.754 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979704 1200664387 /nfs/dbraw/zinc/66/43/87/1200664387.db2.gz AFJJBXGNAQYKHO-NCOADZHNSA-N 2 1 368.522 0.543 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979704 1200664393 /nfs/dbraw/zinc/66/43/93/1200664393.db2.gz AFJJBXGNAQYKHO-NCOADZHNSA-N 2 1 368.522 0.543 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000785521705 1200766915 /nfs/dbraw/zinc/76/69/15/1200766915.db2.gz VILPRKGWVLTOOE-SJORKVTESA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001112578696 1200817376 /nfs/dbraw/zinc/81/73/76/1200817376.db2.gz BMSVLYBUURDROY-BXWFABGCSA-N 2 1 363.506 0.182 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001112583146 1200820601 /nfs/dbraw/zinc/82/06/01/1200820601.db2.gz GBDUMJFDNOVJFS-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583146 1200820604 /nfs/dbraw/zinc/82/06/04/1200820604.db2.gz GBDUMJFDNOVJFS-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001219816194 1224633569 /nfs/dbraw/zinc/63/35/69/1224633569.db2.gz CSEJVYWARPQGBZ-KURKYZTESA-N 3 1 358.486 0.659 20 0 FCADMP CN1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001219816194 1224633574 /nfs/dbraw/zinc/63/35/74/1224633574.db2.gz CSEJVYWARPQGBZ-KURKYZTESA-N 2 1 358.486 0.659 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCCCC1 ZINC000787137320 1200867933 /nfs/dbraw/zinc/86/79/33/1200867933.db2.gz ORSVSKNUOPOZMJ-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1CC(C)(C)O ZINC000790385941 1201071762 /nfs/dbraw/zinc/07/17/62/1201071762.db2.gz OMOIXEBICZAUDV-BEFAXECRSA-N 2 1 366.506 0.638 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790391189 1201072788 /nfs/dbraw/zinc/07/27/88/1201072788.db2.gz ZQKSONCXJIGOJK-KXBFYZLASA-N 2 1 366.506 0.638 20 0 FCADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371622 1201074688 /nfs/dbraw/zinc/07/46/88/1201074688.db2.gz TVLYEZHNJCZSLN-MJGOQNOKSA-N 2 1 364.490 0.657 20 0 FCADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371622 1201074698 /nfs/dbraw/zinc/07/46/98/1201074698.db2.gz TVLYEZHNJCZSLN-MJGOQNOKSA-N 2 1 364.490 0.657 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2c2ccccc2)O1 ZINC001086595103 1201128692 /nfs/dbraw/zinc/12/86/92/1201128692.db2.gz LDDOGWAXVAEFHA-QXCFHYIPSA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2c2ccccc2)O1 ZINC001086595103 1201128700 /nfs/dbraw/zinc/12/87/00/1201128700.db2.gz LDDOGWAXVAEFHA-QXCFHYIPSA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2c2ccccc2)O1 ZINC001086595103 1201128708 /nfs/dbraw/zinc/12/87/08/1201128708.db2.gz LDDOGWAXVAEFHA-QXCFHYIPSA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2c2ccccc2)O1 ZINC001086595103 1201128716 /nfs/dbraw/zinc/12/87/16/1201128716.db2.gz LDDOGWAXVAEFHA-QXCFHYIPSA-N 2 1 361.486 0.672 20 0 FCADMP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncc2c(n1)C[NH2+]CC2 ZINC001170163277 1201176209 /nfs/dbraw/zinc/17/62/09/1201176209.db2.gz WKMDFTLHLUANPP-UHFFFAOYSA-N 2 1 353.430 0.990 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129411659 1201298154 /nfs/dbraw/zinc/29/81/54/1201298154.db2.gz AYAHPLGFVUTNEO-IMJJTQAJSA-N 2 1 361.450 0.021 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460026 1201325355 /nfs/dbraw/zinc/32/53/55/1201325355.db2.gz GPWOOJFAGIXORA-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460026 1201325363 /nfs/dbraw/zinc/32/53/63/1201325363.db2.gz GPWOOJFAGIXORA-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129460026 1201325373 /nfs/dbraw/zinc/32/53/73/1201325373.db2.gz GPWOOJFAGIXORA-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001219877855 1224667981 /nfs/dbraw/zinc/66/79/81/1224667981.db2.gz SUFAJLBZRROEHE-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877488 1224668168 /nfs/dbraw/zinc/66/81/68/1224668168.db2.gz IAAAASUZIQSWDX-SJORKVTESA-N 2 1 371.522 0.323 20 0 FCADMP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685049 1201369688 /nfs/dbraw/zinc/36/96/88/1201369688.db2.gz LYXOELFEAHZKLJ-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685950 1201371117 /nfs/dbraw/zinc/37/11/17/1201371117.db2.gz VNKZLFIHIHRANP-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129992050 1201470402 /nfs/dbraw/zinc/47/04/02/1201470402.db2.gz JPFBXPICQUKLQT-SJORKVTESA-N 2 1 360.437 0.911 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130026418 1201479432 /nfs/dbraw/zinc/47/94/32/1201479432.db2.gz PFUUXCDYIBJJGJ-CABCVRRESA-N 2 1 361.450 0.022 20 0 FCADMP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)c1 ZINC001219910538 1224678016 /nfs/dbraw/zinc/67/80/16/1224678016.db2.gz HZMPNBDRLPKTNA-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)c1 ZINC001219910538 1224678017 /nfs/dbraw/zinc/67/80/17/1224678017.db2.gz HZMPNBDRLPKTNA-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130136973 1201514785 /nfs/dbraw/zinc/51/47/85/1201514785.db2.gz BVHVVIQJJBJGGM-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(-n3cccn3)c2)O1 ZINC001130182280 1201522345 /nfs/dbraw/zinc/52/23/45/1201522345.db2.gz AWVUSOKSALSWPQ-CRAIPNDOSA-N 2 1 357.458 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(-n3cccn3)c2)O1 ZINC001130182280 1201522347 /nfs/dbraw/zinc/52/23/47/1201522347.db2.gz AWVUSOKSALSWPQ-CRAIPNDOSA-N 2 1 357.458 0.797 20 0 FCADMP C[C@@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC1 ZINC001130184437 1201536825 /nfs/dbraw/zinc/53/68/25/1201536825.db2.gz QEFVBDQNZADNHS-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC1 ZINC001130184437 1201536830 /nfs/dbraw/zinc/53/68/30/1201536830.db2.gz QEFVBDQNZADNHS-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[NH+](C)[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)C1CC1 ZINC001130220596 1201547499 /nfs/dbraw/zinc/54/74/99/1201547499.db2.gz FYHZKKJTNFVJSB-YDHLFZDLSA-N 2 1 368.457 0.193 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[NH+]2CCCC2)[nH]1 ZINC001130227974 1201555327 /nfs/dbraw/zinc/55/53/27/1201555327.db2.gz XQOAUSPWVHKXLG-KBPBESRZSA-N 2 1 364.494 0.777 20 0 FCADMP C[C@@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234631 1201558093 /nfs/dbraw/zinc/55/80/93/1201558093.db2.gz FIKAXRNFUKDSPU-RDBSUJKOSA-N 2 1 370.473 0.583 20 0 FCADMP C[C@@H](F)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234631 1201558096 /nfs/dbraw/zinc/55/80/96/1201558096.db2.gz FIKAXRNFUKDSPU-RDBSUJKOSA-N 2 1 370.473 0.583 20 0 FCADMP CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130235153 1201559206 /nfs/dbraw/zinc/55/92/06/1201559206.db2.gz VORFDPAYYBZXMY-RDBSUJKOSA-N 2 1 370.473 0.583 20 0 FCADMP CC[C@@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130235153 1201559212 /nfs/dbraw/zinc/55/92/12/1201559212.db2.gz VORFDPAYYBZXMY-RDBSUJKOSA-N 2 1 370.473 0.583 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130247238 1201567048 /nfs/dbraw/zinc/56/70/48/1201567048.db2.gz ZRUHOFSSBJWFOE-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001130247238 1201567051 /nfs/dbraw/zinc/56/70/51/1201567051.db2.gz ZRUHOFSSBJWFOE-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130247238 1201567055 /nfs/dbraw/zinc/56/70/55/1201567055.db2.gz ZRUHOFSSBJWFOE-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130247238 1201567058 /nfs/dbraw/zinc/56/70/58/1201567058.db2.gz ZRUHOFSSBJWFOE-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130247238 1201567065 /nfs/dbraw/zinc/56/70/65/1201567065.db2.gz ZRUHOFSSBJWFOE-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)C1 ZINC001130249082 1201568373 /nfs/dbraw/zinc/56/83/73/1201568373.db2.gz IWFJIUAAGOSCKZ-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCF)n[nH]2)C1 ZINC001130249082 1201568376 /nfs/dbraw/zinc/56/83/76/1201568376.db2.gz IWFJIUAAGOSCKZ-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCF)n[nH]2)C1 ZINC001130249082 1201568381 /nfs/dbraw/zinc/56/83/81/1201568381.db2.gz IWFJIUAAGOSCKZ-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCF)n2)C1 ZINC001130249082 1201568384 /nfs/dbraw/zinc/56/83/84/1201568384.db2.gz IWFJIUAAGOSCKZ-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCF)n2)C1 ZINC001130249082 1201568388 /nfs/dbraw/zinc/56/83/88/1201568388.db2.gz IWFJIUAAGOSCKZ-RDBSUJKOSA-N 2 1 368.457 0.194 20 0 FCADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941409 1224692749 /nfs/dbraw/zinc/69/27/49/1224692749.db2.gz XPSYIBGYDRHSBI-DLBZAZTESA-N 2 1 361.490 0.791 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130804749 1202800722 /nfs/dbraw/zinc/80/07/22/1202800722.db2.gz NQKZAJVNNISFDM-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070299 1202856279 /nfs/dbraw/zinc/85/62/79/1202856279.db2.gz OHGMXNUHOMKRQF-GVDBMIGSSA-N 2 1 363.506 0.825 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121033 1202865795 /nfs/dbraw/zinc/86/57/95/1202865795.db2.gz JPRKAIBUEUDNQD-HZPDHXFCSA-N 2 1 360.462 0.546 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131120904 1202865975 /nfs/dbraw/zinc/86/59/75/1202865975.db2.gz CDGIVIQATJTXLW-HZPDHXFCSA-N 2 1 360.462 0.546 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125971 1202866736 /nfs/dbraw/zinc/86/67/36/1202866736.db2.gz PVRNOSACFGGVFE-JFIYKMOQSA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125971 1202866738 /nfs/dbraw/zinc/86/67/38/1202866738.db2.gz PVRNOSACFGGVFE-JFIYKMOQSA-N 2 1 363.506 0.825 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665179 1202886089 /nfs/dbraw/zinc/88/60/89/1202886089.db2.gz VDQNWVHUIDAJBF-ZMSDIMECSA-N 2 1 364.494 0.312 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665179 1202886091 /nfs/dbraw/zinc/88/60/91/1202886091.db2.gz VDQNWVHUIDAJBF-ZMSDIMECSA-N 2 1 364.494 0.312 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131318857 1202886704 /nfs/dbraw/zinc/88/67/04/1202886704.db2.gz UTCQBDHSZYYHLG-ZACQAIPSSA-N 2 1 364.490 0.843 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131318857 1202886705 /nfs/dbraw/zinc/88/67/05/1202886705.db2.gz UTCQBDHSZYYHLG-ZACQAIPSSA-N 2 1 364.490 0.843 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131318857 1202886707 /nfs/dbraw/zinc/88/67/07/1202886707.db2.gz UTCQBDHSZYYHLG-ZACQAIPSSA-N 2 1 364.490 0.843 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001086665795 1202888928 /nfs/dbraw/zinc/88/89/28/1202888928.db2.gz PFRNVNYBDQNSRA-IPMKNSEASA-N 2 1 361.486 0.884 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC001086665795 1202888930 /nfs/dbraw/zinc/88/89/30/1202888930.db2.gz PFRNVNYBDQNSRA-IPMKNSEASA-N 2 1 361.486 0.884 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131588237 1202916538 /nfs/dbraw/zinc/91/65/38/1202916538.db2.gz ZEWHTMVRDSDAMD-SCTDSRPQSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001131597173 1202919573 /nfs/dbraw/zinc/91/95/73/1202919573.db2.gz PIOKAHDFFQCOBO-JZXOWHBKSA-N 2 1 368.522 0.578 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609040 1202920441 /nfs/dbraw/zinc/92/04/41/1202920441.db2.gz XCIQLLZHSOQHBU-LESCRADOSA-N 2 1 368.522 0.447 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)[C@@H](c2ccccc2)C1 ZINC001134121241 1203014949 /nfs/dbraw/zinc/01/49/49/1203014949.db2.gz UEDWJZBIPNOHLS-MSOLQXFVSA-N 2 1 358.486 0.660 20 0 FCADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126255 1203015578 /nfs/dbraw/zinc/01/55/78/1203015578.db2.gz HWKJFXNXAMFTOV-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000816522436 1203071837 /nfs/dbraw/zinc/07/18/37/1203071837.db2.gz ZBCMIQANJHJUJK-OAGGEKHMSA-N 2 1 366.506 0.901 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001086785206 1203092501 /nfs/dbraw/zinc/09/25/01/1203092501.db2.gz ODYXYKGEQJPCDX-LZLYRXPVSA-N 2 1 363.506 0.904 20 0 FCADMP CC[C@]([NH3+])(CO)Nc1nccc(C[N@H+]2CC[C@H](CO)C2)c1C(OC)OC ZINC001170857164 1203098353 /nfs/dbraw/zinc/09/83/53/1203098353.db2.gz DHJKFNGEMGYNQC-SCLBCKFNSA-N 2 1 368.478 0.656 20 0 FCADMP COCCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863268 1203101936 /nfs/dbraw/zinc/10/19/36/1203101936.db2.gz UWJAMNRFCUFVQK-GVDBMIGSSA-N 2 1 370.538 0.744 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000817975274 1203129721 /nfs/dbraw/zinc/12/97/21/1203129721.db2.gz SMWRUVNWHPYPQA-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899875 1203137187 /nfs/dbraw/zinc/13/71/87/1203137187.db2.gz YPJVHMPYEQIYGT-UKRRQHHQSA-N 3 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N[C@@H](N)CCC[NH3+] ZINC001170899875 1203137190 /nfs/dbraw/zinc/13/71/90/1203137190.db2.gz YPJVHMPYEQIYGT-UKRRQHHQSA-N 2 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N[C@@H](N)CCC[NH3+] ZINC001170899875 1203137191 /nfs/dbraw/zinc/13/71/91/1203137191.db2.gz YPJVHMPYEQIYGT-UKRRQHHQSA-N 2 1 367.494 0.623 20 0 FCADMP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819005004 1203147361 /nfs/dbraw/zinc/14/73/61/1203147361.db2.gz VXRLEEVVCCFWJW-YOEHRIQHSA-N 2 1 365.474 0.914 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000820245973 1203182156 /nfs/dbraw/zinc/18/21/56/1203182156.db2.gz ZNTVNVWWYDSUOR-SFHVURJKSA-N 2 1 358.486 0.932 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)C(N)=O ZINC001086839030 1203193159 /nfs/dbraw/zinc/19/31/59/1203193159.db2.gz HRDVCJOMPDRWDN-VNHYZAJKSA-N 2 1 356.430 0.629 20 0 FCADMP COC[C@@]1(c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CC[NH2+]C1 ZINC000822914217 1203239590 /nfs/dbraw/zinc/23/95/90/1203239590.db2.gz DMMABFHOIPDISH-GOSISDBHSA-N 2 1 358.446 0.761 20 0 FCADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001220120748 1224776935 /nfs/dbraw/zinc/77/69/35/1224776935.db2.gz OOFGGUMXXHDXFE-HNNXBMFYSA-N 2 1 361.446 0.725 20 0 FCADMP O=C([C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143669999 1203322846 /nfs/dbraw/zinc/32/28/46/1203322846.db2.gz KHVUJNUIBSYKRT-DLBZAZTESA-N 2 1 353.426 0.417 20 0 FCADMP O=C([C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143669999 1203322849 /nfs/dbraw/zinc/32/28/49/1203322849.db2.gz KHVUJNUIBSYKRT-DLBZAZTESA-N 2 1 353.426 0.417 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844171688 1203337950 /nfs/dbraw/zinc/33/79/50/1203337950.db2.gz QHQMSRAICVSOSF-SFHVURJKSA-N 2 1 374.485 0.459 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844173000 1203337999 /nfs/dbraw/zinc/33/79/99/1203337999.db2.gz MCNWUBLOPGUCGT-IAGOWNOFSA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844173000 1203338001 /nfs/dbraw/zinc/33/80/01/1203338001.db2.gz MCNWUBLOPGUCGT-IAGOWNOFSA-N 2 1 360.458 0.843 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220224145 1224807860 /nfs/dbraw/zinc/80/78/60/1224807860.db2.gz BCFAIYXMNDYIHQ-IXDOHACOSA-N 2 1 365.474 0.931 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315648 1224826970 /nfs/dbraw/zinc/82/69/70/1224826970.db2.gz GJFNLUCFKHMBEU-SVFBPWRDSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315648 1224826971 /nfs/dbraw/zinc/82/69/71/1224826971.db2.gz GJFNLUCFKHMBEU-SVFBPWRDSA-N 2 1 372.513 0.878 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C1CC1 ZINC000844763546 1204434422 /nfs/dbraw/zinc/43/44/22/1204434422.db2.gz BAERVRNCNIUFRE-FRQCXROJSA-N 2 1 363.458 0.992 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C1CC1 ZINC000844763546 1204434426 /nfs/dbraw/zinc/43/44/26/1204434426.db2.gz BAERVRNCNIUFRE-FRQCXROJSA-N 2 1 363.458 0.992 20 0 FCADMP COc1ncccc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091095706 1204513436 /nfs/dbraw/zinc/51/34/36/1204513436.db2.gz ALYXPVPKQVZAIC-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ncccc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091095706 1204513438 /nfs/dbraw/zinc/51/34/38/1204513438.db2.gz ALYXPVPKQVZAIC-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351662 1224838516 /nfs/dbraw/zinc/83/85/16/1224838516.db2.gz DFXUEHQWSLMNMG-BBWFWOEESA-N 2 1 364.494 0.094 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351662 1224838519 /nfs/dbraw/zinc/83/85/19/1224838519.db2.gz DFXUEHQWSLMNMG-BBWFWOEESA-N 2 1 364.494 0.094 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220351662 1224838523 /nfs/dbraw/zinc/83/85/23/1224838523.db2.gz DFXUEHQWSLMNMG-BBWFWOEESA-N 2 1 364.494 0.094 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674005 /nfs/dbraw/zinc/67/40/05/1204674005.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 1 370.538 0.926 20 0 FCADMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674006 /nfs/dbraw/zinc/67/40/06/1204674006.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 1 370.538 0.926 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366803 1224844825 /nfs/dbraw/zinc/84/48/25/1224844825.db2.gz BQHIAKVTUKDOIE-CABCVRRESA-N 2 1 367.494 0.450 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366803 1224844826 /nfs/dbraw/zinc/84/48/26/1224844826.db2.gz BQHIAKVTUKDOIE-CABCVRRESA-N 2 1 367.494 0.450 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366803 1224844829 /nfs/dbraw/zinc/84/48/29/1224844829.db2.gz BQHIAKVTUKDOIE-CABCVRRESA-N 2 1 367.494 0.450 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220366803 1224844831 /nfs/dbraw/zinc/84/48/31/1224844831.db2.gz BQHIAKVTUKDOIE-CABCVRRESA-N 2 1 367.494 0.450 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544248 1204707298 /nfs/dbraw/zinc/70/72/98/1204707298.db2.gz XMNBHKHLXOQQQH-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544248 1204707303 /nfs/dbraw/zinc/70/73/03/1204707303.db2.gz XMNBHKHLXOQQQH-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091544248 1204707307 /nfs/dbraw/zinc/70/73/07/1204707307.db2.gz XMNBHKHLXOQQQH-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091544248 1204707310 /nfs/dbraw/zinc/70/73/10/1204707310.db2.gz XMNBHKHLXOQQQH-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COCCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583180 1204798759 /nfs/dbraw/zinc/79/87/59/1204798759.db2.gz MLZMWEIRLNTNKK-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583180 1204798766 /nfs/dbraw/zinc/79/87/66/1204798766.db2.gz MLZMWEIRLNTNKK-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583180 1204798771 /nfs/dbraw/zinc/79/87/71/1204798771.db2.gz MLZMWEIRLNTNKK-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583180 1204798780 /nfs/dbraw/zinc/79/87/80/1204798780.db2.gz MLZMWEIRLNTNKK-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091686313 1204821940 /nfs/dbraw/zinc/82/19/40/1204821940.db2.gz AVMYHPZZFQFMSC-ASKNOMKYSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686313 1204821943 /nfs/dbraw/zinc/82/19/43/1204821943.db2.gz AVMYHPZZFQFMSC-ASKNOMKYSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686313 1204821945 /nfs/dbraw/zinc/82/19/45/1204821945.db2.gz AVMYHPZZFQFMSC-ASKNOMKYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387351 1224853949 /nfs/dbraw/zinc/85/39/49/1224853949.db2.gz IFOSGZRPOPQXJH-JQHSSLGASA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387351 1224853952 /nfs/dbraw/zinc/85/39/52/1224853952.db2.gz IFOSGZRPOPQXJH-JQHSSLGASA-N 2 1 369.506 0.075 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743119 1204839834 /nfs/dbraw/zinc/83/98/34/1204839834.db2.gz KIAQXHDZYMQICE-WTANOLMUSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743119 1204839838 /nfs/dbraw/zinc/83/98/38/1204839838.db2.gz KIAQXHDZYMQICE-WTANOLMUSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743119 1204839839 /nfs/dbraw/zinc/83/98/39/1204839839.db2.gz KIAQXHDZYMQICE-WTANOLMUSA-N 2 1 362.474 0.056 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452783 1204850233 /nfs/dbraw/zinc/85/02/33/1204850233.db2.gz BHFZAXFOSPAJAK-RDJZCZTQSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)C1 ZINC001086880183 1204855549 /nfs/dbraw/zinc/85/55/49/1204855549.db2.gz NGTKMKFQMJUUHK-JQHSSLGASA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)C1 ZINC001086880183 1204855551 /nfs/dbraw/zinc/85/55/51/1204855551.db2.gz NGTKMKFQMJUUHK-JQHSSLGASA-N 2 1 361.490 0.880 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086970597 1204869840 /nfs/dbraw/zinc/86/98/40/1204869840.db2.gz YSCJQGQRXPCFQZ-RCCFBDPRSA-N 2 1 371.489 0.295 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087035074 1204911037 /nfs/dbraw/zinc/91/10/37/1204911037.db2.gz KLXJGWGOQWNJSK-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087055265 1204935017 /nfs/dbraw/zinc/93/50/17/1204935017.db2.gz CGCTXBAADCBFLF-KLHDSHLOSA-N 2 1 364.494 0.108 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087059704 1204943642 /nfs/dbraw/zinc/94/36/42/1204943642.db2.gz REFMYJYREKXPPQ-GDBMZVCRSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087059704 1204943649 /nfs/dbraw/zinc/94/36/49/1204943649.db2.gz REFMYJYREKXPPQ-GDBMZVCRSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087059820 1204943673 /nfs/dbraw/zinc/94/36/73/1204943673.db2.gz WPFXKRKURCYMPL-GDBMZVCRSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087059820 1204943679 /nfs/dbraw/zinc/94/36/79/1204943679.db2.gz WPFXKRKURCYMPL-GDBMZVCRSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083553 1204969801 /nfs/dbraw/zinc/96/98/01/1204969801.db2.gz KLKPNUJTIWRMIW-NUEKZKHPSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087083553 1204969813 /nfs/dbraw/zinc/96/98/13/1204969813.db2.gz KLKPNUJTIWRMIW-NUEKZKHPSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083557 1204970464 /nfs/dbraw/zinc/97/04/64/1204970464.db2.gz KQEZYBBFCKWTFR-KBAYOESNSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087083799 1204972655 /nfs/dbraw/zinc/97/26/55/1204972655.db2.gz SVNDMYKJAAEMAY-LZLYRXPVSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087096435 1205004058 /nfs/dbraw/zinc/00/40/58/1205004058.db2.gz MXBOBPAKAPYOPF-ARFHVFGLSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087096557 1205004552 /nfs/dbraw/zinc/00/45/52/1205004552.db2.gz RQWJOFJQBNHKAD-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091985454 1205094035 /nfs/dbraw/zinc/09/40/35/1205094035.db2.gz RWFAXIYHXWZWNG-MDZRGWNJSA-N 2 1 365.522 0.378 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010794 1205112420 /nfs/dbraw/zinc/11/24/20/1205112420.db2.gz LOKMELRGZBFSQZ-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010794 1205112424 /nfs/dbraw/zinc/11/24/24/1205112424.db2.gz LOKMELRGZBFSQZ-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092010794 1205112430 /nfs/dbraw/zinc/11/24/30/1205112430.db2.gz LOKMELRGZBFSQZ-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010304 1205112585 /nfs/dbraw/zinc/11/25/85/1205112585.db2.gz BBORFWHVFOIUGZ-QINHECLXSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010304 1205112587 /nfs/dbraw/zinc/11/25/87/1205112587.db2.gz BBORFWHVFOIUGZ-QINHECLXSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010304 1205112589 /nfs/dbraw/zinc/11/25/89/1205112589.db2.gz BBORFWHVFOIUGZ-QINHECLXSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@]3(C)C2)CC1 ZINC001092130210 1205169961 /nfs/dbraw/zinc/16/99/61/1205169961.db2.gz SNXJPKQIJOJJTJ-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092145479 1205170540 /nfs/dbraw/zinc/17/05/40/1205170540.db2.gz OIPDUKLPALHIOK-HLIPFELVSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198146 1205191949 /nfs/dbraw/zinc/19/19/49/1205191949.db2.gz HJFWSHJCWMNAEN-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198146 1205191963 /nfs/dbraw/zinc/19/19/63/1205191963.db2.gz HJFWSHJCWMNAEN-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)C1 ZINC001092198146 1205191971 /nfs/dbraw/zinc/19/19/71/1205191971.db2.gz HJFWSHJCWMNAEN-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197986 1205192121 /nfs/dbraw/zinc/19/21/21/1205192121.db2.gz AFZLAQGQJLXZTL-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197986 1205192126 /nfs/dbraw/zinc/19/21/26/1205192126.db2.gz AFZLAQGQJLXZTL-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197986 1205192130 /nfs/dbraw/zinc/19/21/30/1205192130.db2.gz AFZLAQGQJLXZTL-YRNRMSPPSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001092203933 1205198009 /nfs/dbraw/zinc/19/80/09/1205198009.db2.gz OIRVYJHVTOZYFG-AZOIQLNYSA-N 2 1 357.458 0.430 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272595 1205219593 /nfs/dbraw/zinc/21/95/93/1205219593.db2.gz GVUXNBIOUPTZQH-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272595 1205219599 /nfs/dbraw/zinc/21/95/99/1205219599.db2.gz GVUXNBIOUPTZQH-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272595 1205219605 /nfs/dbraw/zinc/21/96/05/1205219605.db2.gz GVUXNBIOUPTZQH-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272595 1205219609 /nfs/dbraw/zinc/21/96/09/1205219609.db2.gz GVUXNBIOUPTZQH-MDZRGWNJSA-N 2 1 360.506 0.838 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272584 1205219714 /nfs/dbraw/zinc/21/97/14/1205219714.db2.gz GMXUWXPOBOFQNF-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272584 1205219720 /nfs/dbraw/zinc/21/97/20/1205219720.db2.gz GMXUWXPOBOFQNF-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)nn1 ZINC001092272584 1205219723 /nfs/dbraw/zinc/21/97/23/1205219723.db2.gz GMXUWXPOBOFQNF-KHYOSLBOSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275785 1205222369 /nfs/dbraw/zinc/22/23/69/1205222369.db2.gz PWSIXPZDIHQCFX-BEFAXECRSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092277980 1205224880 /nfs/dbraw/zinc/22/48/80/1205224880.db2.gz AVTABLYIWLJPFW-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092277980 1205224884 /nfs/dbraw/zinc/22/48/84/1205224884.db2.gz AVTABLYIWLJPFW-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504688 1205296713 /nfs/dbraw/zinc/29/67/13/1205296713.db2.gz WKFDRCSTAYSHGF-OAGGEKHMSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504688 1205296716 /nfs/dbraw/zinc/29/67/16/1205296716.db2.gz WKFDRCSTAYSHGF-OAGGEKHMSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504688 1205296718 /nfs/dbraw/zinc/29/67/18/1205296718.db2.gz WKFDRCSTAYSHGF-OAGGEKHMSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504688 1205296721 /nfs/dbraw/zinc/29/67/21/1205296721.db2.gz WKFDRCSTAYSHGF-OAGGEKHMSA-N 2 1 360.506 0.893 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)cc1=O ZINC001092509492 1205298198 /nfs/dbraw/zinc/29/81/98/1205298198.db2.gz AQRZNJLUNZGABH-FMKPAKJESA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1=O ZINC001092509492 1205298199 /nfs/dbraw/zinc/29/81/99/1205298199.db2.gz AQRZNJLUNZGABH-FMKPAKJESA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@H](C)C2)cc1=O ZINC001092509492 1205298200 /nfs/dbraw/zinc/29/82/00/1205298200.db2.gz AQRZNJLUNZGABH-FMKPAKJESA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611159 1205319707 /nfs/dbraw/zinc/31/97/07/1205319707.db2.gz LHSIHJKGZYDCIE-NXHRZFHOSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676647 1205336474 /nfs/dbraw/zinc/33/64/74/1205336474.db2.gz HDGVHFYFLBCVRI-BZUAXINKSA-N 2 1 359.474 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676647 1205336476 /nfs/dbraw/zinc/33/64/76/1205336476.db2.gz HDGVHFYFLBCVRI-BZUAXINKSA-N 2 1 359.474 0.677 20 0 FCADMP [NH3+]CCOCCOCCNC(=O)C1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001220519271 1224902208 /nfs/dbraw/zinc/90/22/08/1224902208.db2.gz IOHAIHUCGWUPRI-UHFFFAOYSA-N 2 1 364.490 0.088 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910637 1205941407 /nfs/dbraw/zinc/94/14/07/1205941407.db2.gz HPWNNSMGXUQPFS-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910637 1205941409 /nfs/dbraw/zinc/94/14/09/1205941409.db2.gz HPWNNSMGXUQPFS-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001092910637 1205941412 /nfs/dbraw/zinc/94/14/12/1205941412.db2.gz HPWNNSMGXUQPFS-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934441 1205962099 /nfs/dbraw/zinc/96/20/99/1205962099.db2.gz APHZBPDHQBHAMI-GDBMZVCRSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936683 1205963018 /nfs/dbraw/zinc/96/30/18/1205963018.db2.gz HATNDOSPCCYZCL-SOLBZPMBSA-N 2 1 364.534 0.929 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968141 1205967891 /nfs/dbraw/zinc/96/78/91/1205967891.db2.gz NMRBECRZXUJSBC-CRAIPNDOSA-N 2 1 360.502 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040445 1206001780 /nfs/dbraw/zinc/00/17/80/1206001780.db2.gz PICMKVYYQUQNDS-IXDOHACOSA-N 2 1 363.506 0.779 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134035 1206032181 /nfs/dbraw/zinc/03/21/81/1206032181.db2.gz UHUYFBWQCDVMPM-BRWVUGGUSA-N 2 1 362.518 0.683 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136979 1206033754 /nfs/dbraw/zinc/03/37/54/1206033754.db2.gz GKQVGACANUEFEZ-CKEIUWERSA-N 2 1 359.474 0.724 20 0 FCADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553782 1224925599 /nfs/dbraw/zinc/92/55/99/1224925599.db2.gz SMGJLUWBSXUMHC-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553782 1224925604 /nfs/dbraw/zinc/92/56/04/1224925604.db2.gz SMGJLUWBSXUMHC-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)C1=O ZINC001093280299 1206071404 /nfs/dbraw/zinc/07/14/04/1206071404.db2.gz GCEHKONVKIUWQN-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220553940 1224927016 /nfs/dbraw/zinc/92/70/16/1224927016.db2.gz ZJSSBOIFVSHIKJ-MSOLQXFVSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220553940 1224927019 /nfs/dbraw/zinc/92/70/19/1224927019.db2.gz ZJSSBOIFVSHIKJ-MSOLQXFVSA-N 2 1 369.506 0.077 20 0 FCADMP CC(C)[C@@H]1N(C(=O)CC[NH+]2CCOCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093468948 1206085630 /nfs/dbraw/zinc/08/56/30/1206085630.db2.gz CVTLECDIPPLZMZ-FPAYPSAMSA-N 2 1 371.497 0.644 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857358 1206135165 /nfs/dbraw/zinc/13/51/65/1206135165.db2.gz AEVCNWDYZPAONI-YFHUEUNASA-N 2 1 363.506 0.806 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857358 1206135169 /nfs/dbraw/zinc/13/51/69/1206135169.db2.gz AEVCNWDYZPAONI-YFHUEUNASA-N 2 1 363.506 0.806 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093864001 1206137109 /nfs/dbraw/zinc/13/71/09/1206137109.db2.gz DRAKGDPBXFQMHT-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093883843 1206143202 /nfs/dbraw/zinc/14/32/02/1206143202.db2.gz AUESKKKDOPPBQI-BZUAXINKSA-N 2 1 363.510 0.515 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001093920973 1206149634 /nfs/dbraw/zinc/14/96/34/1206149634.db2.gz DWMGBDMFASSZAK-DJIMGWMZSA-N 2 1 361.490 0.792 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)C1 ZINC001093993222 1206165658 /nfs/dbraw/zinc/16/56/58/1206165658.db2.gz IHOIIHPDJKQOLT-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)C1 ZINC001093993222 1206165661 /nfs/dbraw/zinc/16/56/61/1206165661.db2.gz IHOIIHPDJKQOLT-JFIYKMOQSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041913 1206173923 /nfs/dbraw/zinc/17/39/23/1206173923.db2.gz IDHSYIQWFQWJPO-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001094088344 1206181951 /nfs/dbraw/zinc/18/19/51/1206181951.db2.gz PNLHDIBCQQBIBG-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1=O ZINC001094111147 1206185806 /nfs/dbraw/zinc/18/58/06/1206185806.db2.gz ZVWVRKSVEVJNOK-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094165029 1206197469 /nfs/dbraw/zinc/19/74/69/1206197469.db2.gz INFMVISJOSBCJH-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094166266 1206197883 /nfs/dbraw/zinc/19/78/83/1206197883.db2.gz STRUSEGRYUBUAN-RBSFLKMASA-N 2 1 361.494 0.534 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)C1 ZINC001094232511 1206208181 /nfs/dbraw/zinc/20/81/81/1206208181.db2.gz WYOUMYOHSPHMHK-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)C1 ZINC001094232511 1206208184 /nfs/dbraw/zinc/20/81/84/1206208184.db2.gz WYOUMYOHSPHMHK-ZTFGCOKTSA-N 2 1 361.490 0.690 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001094380871 1206222073 /nfs/dbraw/zinc/22/20/73/1206222073.db2.gz ZGHVWRJBHFQMDJ-FRQCXROJSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001094380871 1206222075 /nfs/dbraw/zinc/22/20/75/1206222075.db2.gz ZGHVWRJBHFQMDJ-FRQCXROJSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001094380871 1206222078 /nfs/dbraw/zinc/22/20/78/1206222078.db2.gz ZGHVWRJBHFQMDJ-FRQCXROJSA-N 2 1 363.506 0.467 20 0 FCADMP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC001094466443 1206226289 /nfs/dbraw/zinc/22/62/89/1206226289.db2.gz VTYSZZFMZXKOID-VQIMIIECSA-N 2 1 368.441 0.727 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)C12CC[NH+](CC1)C2 ZINC001094560008 1206238101 /nfs/dbraw/zinc/23/81/01/1206238101.db2.gz JZKOUVLDTHVUNW-SJLPKXTDSA-N 2 1 358.490 0.735 20 0 FCADMP Cn1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)C45CC[NH+](CC4)C5)CCC[C@@H]23)n1 ZINC001094560330 1206238279 /nfs/dbraw/zinc/23/82/79/1206238279.db2.gz QGLSNKCHUBBYHU-SJLPKXTDSA-N 2 1 358.490 0.772 20 0 FCADMP Cn1ncc(C[N@H+]2CC[C@@]3(CNC(=O)C45CC[NH+](CC4)C5)CCC[C@@H]23)n1 ZINC001094560330 1206238280 /nfs/dbraw/zinc/23/82/80/1206238280.db2.gz QGLSNKCHUBBYHU-SJLPKXTDSA-N 2 1 358.490 0.772 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487640 1206249324 /nfs/dbraw/zinc/24/93/24/1206249324.db2.gz XDOOOYLXEJRZSU-ARFHVFGLSA-N 2 1 370.538 0.885 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487640 1206249327 /nfs/dbraw/zinc/24/93/27/1206249327.db2.gz XDOOOYLXEJRZSU-ARFHVFGLSA-N 2 1 370.538 0.885 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485755 1206249616 /nfs/dbraw/zinc/24/96/16/1206249616.db2.gz DHYZHGOFMOXZSZ-BFYDXBDKSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H](CCCC[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485755 1206249621 /nfs/dbraw/zinc/24/96/21/1206249621.db2.gz DHYZHGOFMOXZSZ-BFYDXBDKSA-N 2 1 368.522 0.496 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001172070421 1206257036 /nfs/dbraw/zinc/25/70/36/1206257036.db2.gz OGUVHNRJWJDOHQ-IEJRGFGGSA-N 2 1 356.518 0.565 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001172070421 1206257039 /nfs/dbraw/zinc/25/70/39/1206257039.db2.gz OGUVHNRJWJDOHQ-IEJRGFGGSA-N 2 1 356.518 0.565 20 0 FCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001172113838 1206257825 /nfs/dbraw/zinc/25/78/25/1206257825.db2.gz NAWWYSKWFGGOTB-DFGXFYAUSA-N 2 1 374.485 0.510 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001172113838 1206257827 /nfs/dbraw/zinc/25/78/27/1206257827.db2.gz NAWWYSKWFGGOTB-DFGXFYAUSA-N 2 1 374.485 0.510 20 0 FCADMP CC[N@H+]1CC[C@@H](N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1 ZINC001173362353 1206269268 /nfs/dbraw/zinc/26/92/68/1206269268.db2.gz DZHXLMHLRPWBIX-SJLPKXTDSA-N 2 1 362.522 0.921 20 0 FCADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220570864 1224940040 /nfs/dbraw/zinc/94/00/40/1224940040.db2.gz BPEBZHYYVOSCDF-OXQOHEQNSA-N 2 1 356.470 0.161 20 0 FCADMP CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088676 1206329394 /nfs/dbraw/zinc/32/93/94/1206329394.db2.gz PGTPAJVDQDOVPR-GFCCVEGCSA-N 2 1 367.454 0.306 20 0 FCADMP OC(C[NH+]1CCC[C@H](C2OCCO2)C1)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000773749393 1206359370 /nfs/dbraw/zinc/35/93/70/1206359370.db2.gz VPBXSRXWADWLDQ-HOTGVXAUSA-N 2 1 370.490 0.517 20 0 FCADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)CN2CC[NH+](C)CC2)c1 ZINC001178953063 1206368711 /nfs/dbraw/zinc/36/87/11/1206368711.db2.gz ARNNSKXNWJWDOJ-UHFFFAOYSA-N 2 1 361.446 0.646 20 0 FCADMP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC001178996373 1206370054 /nfs/dbraw/zinc/37/00/54/1206370054.db2.gz LKAKWXPFYYGPMS-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC001178996373 1206370057 /nfs/dbraw/zinc/37/00/57/1206370057.db2.gz LKAKWXPFYYGPMS-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001178996373 1206370061 /nfs/dbraw/zinc/37/00/61/1206370061.db2.gz LKAKWXPFYYGPMS-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001178996373 1206370064 /nfs/dbraw/zinc/37/00/64/1206370064.db2.gz LKAKWXPFYYGPMS-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)CC[C@@H]2C1 ZINC001203187405 1206385040 /nfs/dbraw/zinc/38/50/40/1206385040.db2.gz NRFASKOVTXTFBB-RTBURBONSA-N 2 1 361.486 0.790 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)CC[C@@H]2C1 ZINC001203187405 1206385044 /nfs/dbraw/zinc/38/50/44/1206385044.db2.gz NRFASKOVTXTFBB-RTBURBONSA-N 2 1 361.486 0.790 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220583413 1224950542 /nfs/dbraw/zinc/95/05/42/1224950542.db2.gz XBLVBQNKCRPLPV-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220583413 1224950562 /nfs/dbraw/zinc/95/05/62/1224950562.db2.gz XBLVBQNKCRPLPV-XHSDSOJGSA-N 2 1 363.458 0.330 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001182676665 1206440891 /nfs/dbraw/zinc/44/08/91/1206440891.db2.gz PODHVLJNFBVUSR-KBRIMQKVSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1CCN(C(=O)CN2CC[C@@H](O)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001186044446 1206492119 /nfs/dbraw/zinc/49/21/19/1206492119.db2.gz HBOCRECOGMEUEX-FMKPAKJESA-N 2 1 372.473 0.698 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001188107716 1207423100 /nfs/dbraw/zinc/42/31/00/1207423100.db2.gz WYRJSHRHFOOSBP-YESZJQIVSA-N 2 1 368.497 0.821 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001188107716 1207423104 /nfs/dbraw/zinc/42/31/04/1207423104.db2.gz WYRJSHRHFOOSBP-YESZJQIVSA-N 2 1 368.497 0.821 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001188950131 1207492136 /nfs/dbraw/zinc/49/21/36/1207492136.db2.gz XVQKRNASQTVCRQ-XYJFISCASA-N 2 1 362.474 0.296 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001188950131 1207492141 /nfs/dbraw/zinc/49/21/41/1207492141.db2.gz XVQKRNASQTVCRQ-XYJFISCASA-N 2 1 362.474 0.296 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971155 1207492963 /nfs/dbraw/zinc/49/29/63/1207492963.db2.gz OIXISJNJNXNXED-OKZBNKHCSA-N 2 1 367.534 0.894 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963170 1207492987 /nfs/dbraw/zinc/49/29/87/1207492987.db2.gz LBHTWMOOFQBEEM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963170 1207492992 /nfs/dbraw/zinc/49/29/92/1207492992.db2.gz LBHTWMOOFQBEEM-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001188970783 1207493531 /nfs/dbraw/zinc/49/35/31/1207493531.db2.gz KYUKXUDFZBWMRJ-LSDHHAIUSA-N 2 1 362.474 0.010 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018837 1207496526 /nfs/dbraw/zinc/49/65/26/1207496526.db2.gz WWKBRDYSMZPNBT-DLBZAZTESA-N 2 1 365.522 0.569 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159590 1207513863 /nfs/dbraw/zinc/51/38/63/1207513863.db2.gz AWQOIZDMDBAHHX-RRFJBIMHSA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159590 1207513868 /nfs/dbraw/zinc/51/38/68/1207513868.db2.gz AWQOIZDMDBAHHX-RRFJBIMHSA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159590 1207513873 /nfs/dbraw/zinc/51/38/73/1207513873.db2.gz AWQOIZDMDBAHHX-RRFJBIMHSA-N 2 1 364.490 0.302 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001189317570 1207532273 /nfs/dbraw/zinc/53/22/73/1207532273.db2.gz QWCFGVOMOFBJOY-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189544251 1207565173 /nfs/dbraw/zinc/56/51/73/1207565173.db2.gz NKVQNRVHPJCDSX-MAUKXSAKSA-N 2 1 371.441 0.423 20 0 FCADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189544251 1207565176 /nfs/dbraw/zinc/56/51/76/1207565176.db2.gz NKVQNRVHPJCDSX-MAUKXSAKSA-N 2 1 371.441 0.423 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669641 1207580964 /nfs/dbraw/zinc/58/09/64/1207580964.db2.gz YVXBDFDWLJCNMI-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669641 1207580966 /nfs/dbraw/zinc/58/09/66/1207580966.db2.gz YVXBDFDWLJCNMI-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669641 1207580970 /nfs/dbraw/zinc/58/09/70/1207580970.db2.gz YVXBDFDWLJCNMI-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001189669641 1207580973 /nfs/dbraw/zinc/58/09/73/1207580973.db2.gz YVXBDFDWLJCNMI-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732971 1207595444 /nfs/dbraw/zinc/59/54/44/1207595444.db2.gz SVRIPCAGXGCPKI-IPMKNSEASA-N 2 1 365.518 0.648 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788121 1207602264 /nfs/dbraw/zinc/60/22/64/1207602264.db2.gz TYRMEYCQIIRKQZ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788121 1207602270 /nfs/dbraw/zinc/60/22/70/1207602270.db2.gz TYRMEYCQIIRKQZ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788121 1207602274 /nfs/dbraw/zinc/60/22/74/1207602274.db2.gz TYRMEYCQIIRKQZ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788121 1207602282 /nfs/dbraw/zinc/60/22/82/1207602282.db2.gz TYRMEYCQIIRKQZ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788519 1207602412 /nfs/dbraw/zinc/60/24/12/1207602412.db2.gz XAFDCGDEJFTIIP-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788519 1207602419 /nfs/dbraw/zinc/60/24/19/1207602419.db2.gz XAFDCGDEJFTIIP-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788519 1207602425 /nfs/dbraw/zinc/60/24/25/1207602425.db2.gz XAFDCGDEJFTIIP-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788519 1207602432 /nfs/dbraw/zinc/60/24/32/1207602432.db2.gz XAFDCGDEJFTIIP-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871404 1207613598 /nfs/dbraw/zinc/61/35/98/1207613598.db2.gz NIXUIWJDGQMKMF-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871404 1207613602 /nfs/dbraw/zinc/61/36/02/1207613602.db2.gz NIXUIWJDGQMKMF-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871775 1207614393 /nfs/dbraw/zinc/61/43/93/1207614393.db2.gz QMHVIEUETKVGFX-OKZBNKHCSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001189890795 1207623177 /nfs/dbraw/zinc/62/31/77/1207623177.db2.gz KALPXRAMOHIGSG-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001189890795 1207623180 /nfs/dbraw/zinc/62/31/80/1207623180.db2.gz KALPXRAMOHIGSG-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001189890795 1207623183 /nfs/dbraw/zinc/62/31/83/1207623183.db2.gz KALPXRAMOHIGSG-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001189890795 1207623184 /nfs/dbraw/zinc/62/31/84/1207623184.db2.gz KALPXRAMOHIGSG-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001273642570 1207839366 /nfs/dbraw/zinc/83/93/66/1207839366.db2.gz WMQHNBYAMHFPHX-FOIQADDNSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001193738135 1207886793 /nfs/dbraw/zinc/88/67/93/1207886793.db2.gz ONMGWAMHYNYFKM-KZNAEPCWSA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001193738135 1207886796 /nfs/dbraw/zinc/88/67/96/1207886796.db2.gz ONMGWAMHYNYFKM-KZNAEPCWSA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001193738135 1207886797 /nfs/dbraw/zinc/88/67/97/1207886797.db2.gz ONMGWAMHYNYFKM-KZNAEPCWSA-N 2 1 371.497 0.931 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193791191 1207889255 /nfs/dbraw/zinc/88/92/55/1207889255.db2.gz FKYFGBOXPRMWST-QRVBRYPASA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193791191 1207889256 /nfs/dbraw/zinc/88/92/56/1207889256.db2.gz FKYFGBOXPRMWST-QRVBRYPASA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792080 1207889552 /nfs/dbraw/zinc/88/95/52/1207889552.db2.gz WKINOSPZDNXPSF-LMMKCTJWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792080 1207889553 /nfs/dbraw/zinc/88/95/53/1207889553.db2.gz WKINOSPZDNXPSF-LMMKCTJWSA-N 2 1 361.486 0.875 20 0 FCADMP CN(C)c1ccccc1CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791228 1207889583 /nfs/dbraw/zinc/88/95/83/1207889583.db2.gz FZRPQKQZDWRVFU-IEBWSBKVSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791228 1207889586 /nfs/dbraw/zinc/88/95/86/1207889586.db2.gz FZRPQKQZDWRVFU-IEBWSBKVSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791228 1207889587 /nfs/dbraw/zinc/88/95/87/1207889587.db2.gz FZRPQKQZDWRVFU-IEBWSBKVSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791228 1207889588 /nfs/dbraw/zinc/88/95/88/1207889588.db2.gz FZRPQKQZDWRVFU-IEBWSBKVSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001193754824 1207889972 /nfs/dbraw/zinc/88/99/72/1207889972.db2.gz BVQWOTQCJZYODD-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O ZINC001193754824 1207889973 /nfs/dbraw/zinc/88/99/73/1207889973.db2.gz BVQWOTQCJZYODD-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001193754824 1207889974 /nfs/dbraw/zinc/88/99/74/1207889974.db2.gz BVQWOTQCJZYODD-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828400 1207892296 /nfs/dbraw/zinc/89/22/96/1207892296.db2.gz PLKGSFCVHAFEKP-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828400 1207892299 /nfs/dbraw/zinc/89/22/99/1207892299.db2.gz PLKGSFCVHAFEKP-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828400 1207892300 /nfs/dbraw/zinc/89/23/00/1207892300.db2.gz PLKGSFCVHAFEKP-IAGOWNOFSA-N 2 1 364.494 0.094 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O)[NH+](C)C ZINC001194095363 1207918077 /nfs/dbraw/zinc/91/80/77/1207918077.db2.gz GAYXCRDHFJDXHK-GUDVDZBRSA-N 2 1 371.485 0.874 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265407 1207928838 /nfs/dbraw/zinc/92/88/38/1207928838.db2.gz RKENNZNHYDFVRB-IXDOHACOSA-N 2 1 367.465 0.751 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265407 1207928842 /nfs/dbraw/zinc/92/88/42/1207928842.db2.gz RKENNZNHYDFVRB-IXDOHACOSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265407 1207928847 /nfs/dbraw/zinc/92/88/47/1207928847.db2.gz RKENNZNHYDFVRB-IXDOHACOSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001194265407 1207928853 /nfs/dbraw/zinc/92/88/53/1207928853.db2.gz RKENNZNHYDFVRB-IXDOHACOSA-N 2 1 367.465 0.751 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291280 1207935490 /nfs/dbraw/zinc/93/54/90/1207935490.db2.gz NDDUBGUJHPQYCT-NVXWUHKLSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194291280 1207935492 /nfs/dbraw/zinc/93/54/92/1207935492.db2.gz NDDUBGUJHPQYCT-NVXWUHKLSA-N 2 1 374.485 0.078 20 0 FCADMP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831928 1207978144 /nfs/dbraw/zinc/97/81/44/1207978144.db2.gz IVWKFBGNOAHGDT-YSYSEBPNSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C/CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831928 1207978147 /nfs/dbraw/zinc/97/81/47/1207978147.db2.gz IVWKFBGNOAHGDT-YSYSEBPNSA-N 2 1 363.502 0.757 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006298 1207988505 /nfs/dbraw/zinc/98/85/05/1207988505.db2.gz FLOVZQNJEYQOIA-IAGOWNOFSA-N 2 1 363.506 0.388 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001195641089 1208031418 /nfs/dbraw/zinc/03/14/18/1208031418.db2.gz YMRVYSISZRDLPU-CGTJXYLNSA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001195641089 1208031420 /nfs/dbraw/zinc/03/14/20/1208031420.db2.gz YMRVYSISZRDLPU-CGTJXYLNSA-N 2 1 364.490 0.730 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654011 1208033715 /nfs/dbraw/zinc/03/37/15/1208033715.db2.gz KPPVRTHUUYONHR-SJLPKXTDSA-N 2 1 360.502 0.756 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C1 ZINC001195841694 1208042740 /nfs/dbraw/zinc/04/27/40/1208042740.db2.gz BASGQBLRKRHYSJ-GVDBMIGSSA-N 2 1 365.478 0.199 20 0 FCADMP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001195841694 1208042744 /nfs/dbraw/zinc/04/27/44/1208042744.db2.gz BASGQBLRKRHYSJ-GVDBMIGSSA-N 2 1 365.478 0.199 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001195841694 1208042747 /nfs/dbraw/zinc/04/27/47/1208042747.db2.gz BASGQBLRKRHYSJ-GVDBMIGSSA-N 2 1 365.478 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCOCCNC(C)=O)CC2)CC[N@H+]1C ZINC001195900629 1208044170 /nfs/dbraw/zinc/04/41/70/1208044170.db2.gz NVCSCQSNVJNDEM-ZWKOTPCHSA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCOCCNC(C)=O)CC2)CC[NH+]1C ZINC001195900629 1208044173 /nfs/dbraw/zinc/04/41/73/1208044173.db2.gz NVCSCQSNVJNDEM-ZWKOTPCHSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251334 1208069308 /nfs/dbraw/zinc/06/93/08/1208069308.db2.gz IXKBJONAESPVKY-CGTJXYLNSA-N 2 1 369.506 0.075 20 0 FCADMP CCN(C(=O)CN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001196268978 1208070054 /nfs/dbraw/zinc/07/00/54/1208070054.db2.gz PZYZDFKIJBBWOG-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP CCN(C(=O)CN1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001196268978 1208070057 /nfs/dbraw/zinc/07/00/57/1208070057.db2.gz PZYZDFKIJBBWOG-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307160 1208070993 /nfs/dbraw/zinc/07/09/93/1208070993.db2.gz LYNIUWHMGGMNTC-RCCFBDPRSA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307160 1208070996 /nfs/dbraw/zinc/07/09/96/1208070996.db2.gz LYNIUWHMGGMNTC-RCCFBDPRSA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001196644860 1208096128 /nfs/dbraw/zinc/09/61/28/1208096128.db2.gz IZMWVACSPLMSHW-IAGOWNOFSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001196644860 1208096131 /nfs/dbraw/zinc/09/61/31/1208096131.db2.gz IZMWVACSPLMSHW-IAGOWNOFSA-N 2 1 364.490 0.985 20 0 FCADMP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196799037 1208107628 /nfs/dbraw/zinc/10/76/28/1208107628.db2.gz YTDCXQAHPHIHPP-XXCOWLKOSA-N 2 1 363.506 0.966 20 0 FCADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196940427 1208123522 /nfs/dbraw/zinc/12/35/22/1208123522.db2.gz SMGJLUWBSXUMHC-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196940427 1208123524 /nfs/dbraw/zinc/12/35/24/1208123524.db2.gz SMGJLUWBSXUMHC-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001196939962 1208123877 /nfs/dbraw/zinc/12/38/77/1208123877.db2.gz OVVBOKQXIQSLCP-KZNAEPCWSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001196939962 1208123880 /nfs/dbraw/zinc/12/38/80/1208123880.db2.gz OVVBOKQXIQSLCP-KZNAEPCWSA-N 2 1 369.506 0.077 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000849 1208127728 /nfs/dbraw/zinc/12/77/28/1208127728.db2.gz MRSCLLXISKDIEG-BRWVUGGUSA-N 2 1 370.538 0.575 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O ZINC001197000795 1208128277 /nfs/dbraw/zinc/12/82/77/1208128277.db2.gz KFUGLQPXWNPEFS-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001197000795 1208128283 /nfs/dbraw/zinc/12/82/83/1208128283.db2.gz KFUGLQPXWNPEFS-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001197000795 1208128287 /nfs/dbraw/zinc/12/82/87/1208128287.db2.gz KFUGLQPXWNPEFS-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001197000795 1208128294 /nfs/dbraw/zinc/12/82/94/1208128294.db2.gz KFUGLQPXWNPEFS-QZTJIDSGSA-N 2 1 365.522 0.636 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001197255961 1208148882 /nfs/dbraw/zinc/14/88/82/1208148882.db2.gz ZXKLFJCEZSPVGD-QZTJIDSGSA-N 2 1 365.449 0.598 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O)CC1 ZINC001197255961 1208148889 /nfs/dbraw/zinc/14/88/89/1208148889.db2.gz ZXKLFJCEZSPVGD-QZTJIDSGSA-N 2 1 365.449 0.598 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197528807 1208170501 /nfs/dbraw/zinc/17/05/01/1208170501.db2.gz UCXDVVUYCOZCEE-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197528807 1208170504 /nfs/dbraw/zinc/17/05/04/1208170504.db2.gz UCXDVVUYCOZCEE-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197528807 1208170506 /nfs/dbraw/zinc/17/05/06/1208170506.db2.gz UCXDVVUYCOZCEE-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197528807 1208170510 /nfs/dbraw/zinc/17/05/10/1208170510.db2.gz UCXDVVUYCOZCEE-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197528807 1208170513 /nfs/dbraw/zinc/17/05/13/1208170513.db2.gz UCXDVVUYCOZCEE-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CCc1ccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001197536273 1208172141 /nfs/dbraw/zinc/17/21/41/1208172141.db2.gz QQIPNNACHKXFNI-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001197536273 1208172144 /nfs/dbraw/zinc/17/21/44/1208172144.db2.gz QQIPNNACHKXFNI-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001197536273 1208172147 /nfs/dbraw/zinc/17/21/47/1208172147.db2.gz QQIPNNACHKXFNI-GUDVDZBRSA-N 2 1 363.502 0.786 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)c2ccc(C[NH+]3CC[C@@H](O)C3)cc2)CC1 ZINC001197620223 1208177982 /nfs/dbraw/zinc/17/79/82/1208177982.db2.gz PFFMQTBMJGTKGW-LJQANCHMSA-N 2 1 360.502 0.621 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001197620223 1208177983 /nfs/dbraw/zinc/17/79/83/1208177983.db2.gz PFFMQTBMJGTKGW-LJQANCHMSA-N 2 1 360.502 0.621 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001197620223 1208177984 /nfs/dbraw/zinc/17/79/84/1208177984.db2.gz PFFMQTBMJGTKGW-LJQANCHMSA-N 2 1 360.502 0.621 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CC1 ZINC001197833570 1208198559 /nfs/dbraw/zinc/19/85/59/1208198559.db2.gz JRQUJNLPDGQIHP-KBAYOESNSA-N 2 1 362.474 0.738 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1C ZINC001197825803 1208201567 /nfs/dbraw/zinc/20/15/67/1208201567.db2.gz IPFGEBPDTJTNJI-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1C ZINC001197825803 1208201571 /nfs/dbraw/zinc/20/15/71/1208201571.db2.gz IPFGEBPDTJTNJI-IAGOWNOFSA-N 2 1 365.474 0.243 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047421 1208213789 /nfs/dbraw/zinc/21/37/89/1208213789.db2.gz LXSDVDRWFMNLON-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047421 1208213790 /nfs/dbraw/zinc/21/37/90/1208213790.db2.gz LXSDVDRWFMNLON-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047421 1208213793 /nfs/dbraw/zinc/21/37/93/1208213793.db2.gz LXSDVDRWFMNLON-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001198047421 1208213796 /nfs/dbraw/zinc/21/37/96/1208213796.db2.gz LXSDVDRWFMNLON-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001198698935 1208279131 /nfs/dbraw/zinc/27/91/31/1208279131.db2.gz IBIIHHCQQIPADP-KBAYOESNSA-N 2 1 365.518 0.696 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001198670983 1208281914 /nfs/dbraw/zinc/28/19/14/1208281914.db2.gz AEQKUGAEIPMMDH-IPMKNSEASA-N 2 1 361.486 0.237 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001198670983 1208281917 /nfs/dbraw/zinc/28/19/17/1208281917.db2.gz AEQKUGAEIPMMDH-IPMKNSEASA-N 2 1 361.486 0.237 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199024019 1208310444 /nfs/dbraw/zinc/31/04/44/1208310444.db2.gz XMYJSYNKECYPDQ-GUDVDZBRSA-N 2 1 367.534 0.965 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104640 1208318680 /nfs/dbraw/zinc/31/86/80/1208318680.db2.gz PWSHPUYUYOHCKK-DJIMGWMZSA-N 2 1 368.522 0.325 20 0 FCADMP COc1ccccc1OCCN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104675 1208318706 /nfs/dbraw/zinc/31/87/06/1208318706.db2.gz RMOGEVFZSNOJHR-HZPDHXFCSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104675 1208318708 /nfs/dbraw/zinc/31/87/08/1208318708.db2.gz RMOGEVFZSNOJHR-HZPDHXFCSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104675 1208318709 /nfs/dbraw/zinc/31/87/09/1208318709.db2.gz RMOGEVFZSNOJHR-HZPDHXFCSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104675 1208318711 /nfs/dbraw/zinc/31/87/11/1208318711.db2.gz RMOGEVFZSNOJHR-HZPDHXFCSA-N 2 1 365.474 0.576 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001199111887 1208321427 /nfs/dbraw/zinc/32/14/27/1208321427.db2.gz QPKRNPKOYQBALH-HUUCEWRRSA-N 2 1 363.462 0.061 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199397847 1208344374 /nfs/dbraw/zinc/34/43/74/1208344374.db2.gz DGRSHSLBTGODQI-FGTMMUONSA-N 2 1 364.490 0.766 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)ccc1C ZINC001220768679 1225062274 /nfs/dbraw/zinc/06/22/74/1225062274.db2.gz YIVZXRWWGJCQHF-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)ccc1C ZINC001220768679 1225062281 /nfs/dbraw/zinc/06/22/81/1225062281.db2.gz YIVZXRWWGJCQHF-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229327 1208449239 /nfs/dbraw/zinc/44/92/39/1208449239.db2.gz BBFWRYBHKMFMGV-BFYDXBDKSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229327 1208449241 /nfs/dbraw/zinc/44/92/41/1208449241.db2.gz BBFWRYBHKMFMGV-BFYDXBDKSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001110575205 1208480572 /nfs/dbraw/zinc/48/05/72/1208480572.db2.gz ANZLWGXEDLJYHI-TWPTVVAISA-N 2 1 374.485 0.958 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001488537071 1208531656 /nfs/dbraw/zinc/53/16/56/1208531656.db2.gz XSDSYEANHZNBJM-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001488537071 1208531663 /nfs/dbraw/zinc/53/16/63/1208531663.db2.gz XSDSYEANHZNBJM-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001488537071 1208531670 /nfs/dbraw/zinc/53/16/70/1208531670.db2.gz XSDSYEANHZNBJM-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001220806707 1225082412 /nfs/dbraw/zinc/08/24/12/1225082412.db2.gz KKMPFOLKCUPHCY-SJORKVTESA-N 2 1 361.446 0.616 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001220806707 1225082418 /nfs/dbraw/zinc/08/24/18/1225082418.db2.gz KKMPFOLKCUPHCY-SJORKVTESA-N 2 1 361.446 0.616 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001489262647 1208702496 /nfs/dbraw/zinc/70/24/96/1208702496.db2.gz UFUJEBXJEFNWBE-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001489277209 1208755078 /nfs/dbraw/zinc/75/50/78/1208755078.db2.gz KEWHWTFPLWGRMR-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827597 1225092488 /nfs/dbraw/zinc/09/24/88/1225092488.db2.gz UPZDRGWTRNCNAW-SJORKVTESA-N 2 1 359.426 0.158 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827597 1225092497 /nfs/dbraw/zinc/09/24/97/1225092497.db2.gz UPZDRGWTRNCNAW-SJORKVTESA-N 2 1 359.426 0.158 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220831132 1225094874 /nfs/dbraw/zinc/09/48/74/1225094874.db2.gz PVSLIFCJUGKLSP-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220831132 1225094880 /nfs/dbraw/zinc/09/48/80/1225094880.db2.gz PVSLIFCJUGKLSP-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220831132 1225094884 /nfs/dbraw/zinc/09/48/84/1225094884.db2.gz PVSLIFCJUGKLSP-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP CCOC(=O)C1(NC(=O)c2ccc3c(c2)C2(CC3=O)CC[NH2+]CC2)C[NH2+]C1 ZINC001220853198 1225109343 /nfs/dbraw/zinc/10/93/43/1225109343.db2.gz PSOWKENFJWAHSL-UHFFFAOYSA-N 2 1 371.437 0.529 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001489663401 1209077897 /nfs/dbraw/zinc/07/78/97/1209077897.db2.gz ZMFGRYJEPOWSMG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001489663401 1209077898 /nfs/dbraw/zinc/07/78/98/1209077898.db2.gz ZMFGRYJEPOWSMG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001489663401 1209077899 /nfs/dbraw/zinc/07/78/99/1209077899.db2.gz ZMFGRYJEPOWSMG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001489663401 1209077901 /nfs/dbraw/zinc/07/79/01/1209077901.db2.gz ZMFGRYJEPOWSMG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110616942 1209418550 /nfs/dbraw/zinc/41/85/50/1209418550.db2.gz WPEUYKIOAIMEAB-TWMKSMIVSA-N 2 1 368.497 0.914 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110616942 1209418555 /nfs/dbraw/zinc/41/85/55/1209418555.db2.gz WPEUYKIOAIMEAB-TWMKSMIVSA-N 2 1 368.497 0.914 20 0 FCADMP COC(=O)c1cccc(CN2CCC(NC(=O)[C@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220913560 1225136604 /nfs/dbraw/zinc/13/66/04/1225136604.db2.gz VMTGHYPMNIMETN-QGZVFWFLSA-N 2 1 362.474 0.620 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000852921352 1209578333 /nfs/dbraw/zinc/57/83/33/1209578333.db2.gz HURCRMITEROMHQ-RBUKOAKNSA-N 2 1 372.513 0.959 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853683407 1209602790 /nfs/dbraw/zinc/60/27/90/1209602790.db2.gz SDJBXRGUMMPMMU-RCCFBDPRSA-N 2 1 366.506 0.746 20 0 FCADMP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c2ccncn2)CC1 ZINC001220940857 1225149770 /nfs/dbraw/zinc/14/97/70/1225149770.db2.gz IONCYHRKWVJDBM-BZUAXINKSA-N 2 1 358.490 0.954 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000861740466 1209878652 /nfs/dbraw/zinc/87/86/52/1209878652.db2.gz RBKPJORZGNBNSH-LSDHHAIUSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000861740466 1209878653 /nfs/dbraw/zinc/87/86/53/1209878653.db2.gz RBKPJORZGNBNSH-LSDHHAIUSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000861760947 1209880708 /nfs/dbraw/zinc/88/07/08/1209880708.db2.gz RYYFPVKNKNHURY-YLJYHZDGSA-N 2 1 374.485 0.119 20 0 FCADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]21 ZINC000861911740 1209888344 /nfs/dbraw/zinc/88/83/44/1209888344.db2.gz ZPZSZZSXBSDEBD-QLPKVWCKSA-N 2 1 366.506 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C ZINC001110817058 1209910350 /nfs/dbraw/zinc/91/03/50/1209910350.db2.gz KNONSZMFCHJGJQ-XDNAFOTISA-N 2 1 364.490 0.947 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(C)C ZINC001110817058 1209910351 /nfs/dbraw/zinc/91/03/51/1209910351.db2.gz KNONSZMFCHJGJQ-XDNAFOTISA-N 2 1 364.490 0.947 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986006 1225174219 /nfs/dbraw/zinc/17/42/19/1225174219.db2.gz OFTOYBQRMIWKKK-QRQLOZEOSA-N 2 1 361.486 0.625 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000863773991 1209951669 /nfs/dbraw/zinc/95/16/69/1209951669.db2.gz NLUZCWUXQLVTDT-OXQOHEQNSA-N 2 1 358.486 0.917 20 0 FCADMP O=C1COC[C@@]2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)COCCN12 ZINC000865799778 1209985739 /nfs/dbraw/zinc/98/57/39/1209985739.db2.gz DEFFTMIZRDBIEV-HXUWFJFHSA-N 2 1 359.470 0.868 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982586 1225173100 /nfs/dbraw/zinc/17/31/00/1225173100.db2.gz IEPJHQFITWHWKP-KRWDZBQOSA-N 2 1 363.481 0.353 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)[C@H](F)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458284 1209996666 /nfs/dbraw/zinc/99/66/66/1209996666.db2.gz ZXUKTGURHNFPPY-MAKQCAJESA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458284 1209996670 /nfs/dbraw/zinc/99/66/70/1209996670.db2.gz ZXUKTGURHNFPPY-MAKQCAJESA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458284 1209996677 /nfs/dbraw/zinc/99/66/77/1209996677.db2.gz ZXUKTGURHNFPPY-MAKQCAJESA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458286 1209996778 /nfs/dbraw/zinc/99/67/78/1209996778.db2.gz ZXUKTGURHNFPPY-WLZFUECHSA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000866458286 1209996784 /nfs/dbraw/zinc/99/67/84/1209996784.db2.gz ZXUKTGURHNFPPY-WLZFUECHSA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C[N@H+]1C1CC1 ZINC000866458286 1209996789 /nfs/dbraw/zinc/99/67/89/1209996789.db2.gz ZXUKTGURHNFPPY-WLZFUECHSA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000866540864 1209997911 /nfs/dbraw/zinc/99/79/11/1209997911.db2.gz SFVQLDGNDKEIFD-FBHBFLDISA-N 2 1 366.481 0.522 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000866540864 1209997916 /nfs/dbraw/zinc/99/79/16/1209997916.db2.gz SFVQLDGNDKEIFD-FBHBFLDISA-N 2 1 366.481 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000866540864 1209997920 /nfs/dbraw/zinc/99/79/20/1209997920.db2.gz SFVQLDGNDKEIFD-FBHBFLDISA-N 2 1 366.481 0.522 20 0 FCADMP NC(=O)c1ccc(CC[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665749 1210001165 /nfs/dbraw/zinc/00/11/65/1210001165.db2.gz GECVQAQCNQPANM-ROUUACIJSA-N 2 1 371.485 0.548 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218088 1210044316 /nfs/dbraw/zinc/04/43/16/1210044316.db2.gz ZKGKYQOSIXCNFY-MSOLQXFVSA-N 2 1 374.489 0.210 20 0 FCADMP CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000124131258 1210193063 /nfs/dbraw/zinc/19/30/63/1210193063.db2.gz IONXUXVJBLUAJI-GOSISDBHSA-N 2 1 362.478 0.808 20 0 FCADMP CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000124131258 1210193068 /nfs/dbraw/zinc/19/30/68/1210193068.db2.gz IONXUXVJBLUAJI-GOSISDBHSA-N 2 1 362.478 0.808 20 0 FCADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875235953 1210355545 /nfs/dbraw/zinc/35/55/45/1210355545.db2.gz AFJUWSWBLICHLH-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001221072965 1225209435 /nfs/dbraw/zinc/20/94/35/1225209435.db2.gz ABEAHDCQXBPSCL-MOPGFXCFSA-N 2 1 361.486 0.716 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073127 1225209619 /nfs/dbraw/zinc/20/96/19/1225209619.db2.gz HFXCUTVOUFMBDY-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073127 1225209625 /nfs/dbraw/zinc/20/96/25/1225209625.db2.gz HFXCUTVOUFMBDY-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001221073158 1225210040 /nfs/dbraw/zinc/21/00/40/1225210040.db2.gz IQXZHZAYGUBXMI-SJORKVTESA-N 2 1 366.506 0.036 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000876781528 1210430550 /nfs/dbraw/zinc/43/05/50/1210430550.db2.gz HWEXULWWCDBGRZ-NVXWUHKLSA-N 2 1 362.522 0.729 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000876807930 1210431847 /nfs/dbraw/zinc/43/18/47/1210431847.db2.gz BTTMEDMCAIZOQC-JKSUJKDBSA-N 2 1 374.489 0.152 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000877229886 1210440092 /nfs/dbraw/zinc/44/00/92/1210440092.db2.gz SHTBRLACJMQUQO-MRXNPFEDSA-N 2 1 369.469 0.995 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000877229886 1210440094 /nfs/dbraw/zinc/44/00/94/1210440094.db2.gz SHTBRLACJMQUQO-MRXNPFEDSA-N 2 1 369.469 0.995 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095697 1225220674 /nfs/dbraw/zinc/22/06/74/1225220674.db2.gz HUICRVIRUYBASX-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095697 1225220680 /nfs/dbraw/zinc/22/06/80/1225220680.db2.gz HUICRVIRUYBASX-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883083172 1210650489 /nfs/dbraw/zinc/65/04/89/1210650489.db2.gz CHMDZZASNNGRFN-GOSISDBHSA-N 2 1 367.538 0.568 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000883251143 1210660152 /nfs/dbraw/zinc/66/01/52/1210660152.db2.gz DOLHGPMVJGBUAM-SFHVURJKSA-N 3 1 360.506 0.987 20 0 FCADMP CC[N@@H+]1CC[C@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000883251143 1210660161 /nfs/dbraw/zinc/66/01/61/1210660161.db2.gz DOLHGPMVJGBUAM-SFHVURJKSA-N 2 1 360.506 0.987 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000883251143 1210660172 /nfs/dbraw/zinc/66/01/72/1210660172.db2.gz DOLHGPMVJGBUAM-SFHVURJKSA-N 2 1 360.506 0.987 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883299122 1210661518 /nfs/dbraw/zinc/66/15/18/1210661518.db2.gz LUFAGUWCESYKMP-UHFFFAOYSA-N 2 1 369.510 0.080 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000883604643 1210673547 /nfs/dbraw/zinc/67/35/47/1210673547.db2.gz BMMCECOVLFJLJI-NVXWUHKLSA-N 2 1 357.458 0.388 20 0 FCADMP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883605488 1210673552 /nfs/dbraw/zinc/67/35/52/1210673552.db2.gz VMISLHJYILCZCY-INIZCTEOSA-N 2 1 359.474 0.763 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883605617 1210673890 /nfs/dbraw/zinc/67/38/90/1210673890.db2.gz XZRRXMWXYRNRDD-YOEHRIQHSA-N 2 1 357.458 0.469 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883607106 1210674335 /nfs/dbraw/zinc/67/43/35/1210674335.db2.gz LGQQMKKKQGJMCH-YOEHRIQHSA-N 2 1 359.474 0.621 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883607104 1210674532 /nfs/dbraw/zinc/67/45/32/1210674532.db2.gz LGQQMKKKQGJMCH-RHSMWYFYSA-N 2 1 359.474 0.621 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883607103 1210674626 /nfs/dbraw/zinc/67/46/26/1210674626.db2.gz LGQQMKKKQGJMCH-PBHICJAKSA-N 2 1 359.474 0.621 20 0 FCADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884220116 1210724412 /nfs/dbraw/zinc/72/44/12/1210724412.db2.gz GUJXZYVKOGKIMN-ROUUACIJSA-N 2 1 373.501 0.864 20 0 FCADMP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252656 1210726535 /nfs/dbraw/zinc/72/65/35/1210726535.db2.gz PLPBUQOIXPBKDN-NVXWUHKLSA-N 2 1 369.469 0.461 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884516539 1210743248 /nfs/dbraw/zinc/74/32/48/1210743248.db2.gz MYBXBXDJCJZSQR-MRXNPFEDSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884532973 1210745164 /nfs/dbraw/zinc/74/51/64/1210745164.db2.gz VWRYLQKFZDMBHY-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554231 1210748668 /nfs/dbraw/zinc/74/86/68/1210748668.db2.gz PJHVNFAOPMMSGK-SCLBCKFNSA-N 2 1 356.470 0.547 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000884553679 1210749325 /nfs/dbraw/zinc/74/93/25/1210749325.db2.gz FAROWOGXNIKZCI-XYPHTWIQSA-N 2 1 356.470 0.559 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000884557298 1210750483 /nfs/dbraw/zinc/75/04/83/1210750483.db2.gz LTVHKSOCOGBVNR-MRXNPFEDSA-N 2 1 370.457 0.792 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884560203 1210752150 /nfs/dbraw/zinc/75/21/50/1210752150.db2.gz QIUGELYEVPYTLE-ZWKOTPCHSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884560203 1210752160 /nfs/dbraw/zinc/75/21/60/1210752160.db2.gz QIUGELYEVPYTLE-ZWKOTPCHSA-N 2 1 356.470 0.514 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884586055 1210757548 /nfs/dbraw/zinc/75/75/48/1210757548.db2.gz BJBWPTVGNLBKIN-IKGGRYGDSA-N 2 1 373.501 0.261 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000884598024 1210758790 /nfs/dbraw/zinc/75/87/90/1210758790.db2.gz QZMAJBFANSZOSS-QGZVFWFLSA-N 2 1 367.538 0.121 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598320 1210758893 /nfs/dbraw/zinc/75/88/93/1210758893.db2.gz YGOWKOGRRCJZNI-GJZGRUSLSA-N 2 1 374.476 0.976 20 0 FCADMP CN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C1(C[NH3+])CCCCC1 ZINC000884597918 1210759163 /nfs/dbraw/zinc/75/91/63/1210759163.db2.gz ODBMUYPDLJLVQV-UHFFFAOYSA-N 2 1 367.538 0.250 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884603523 1210761016 /nfs/dbraw/zinc/76/10/16/1210761016.db2.gz LPPNHKXFHDGJJL-MSOLQXFVSA-N 2 1 374.485 0.044 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884616701 1210763322 /nfs/dbraw/zinc/76/33/22/1210763322.db2.gz ARMIJHRPGVMNSD-QZTJIDSGSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000884623358 1210764735 /nfs/dbraw/zinc/76/47/35/1210764735.db2.gz ANUUQTSZSOTSDH-KSSFIOAISA-N 2 1 356.470 0.584 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(N2CCCC2)[nH+]1 ZINC000884622081 1210765046 /nfs/dbraw/zinc/76/50/46/1210765046.db2.gz DKBJHVCAIRZWCA-IAGOWNOFSA-N 2 1 371.485 0.959 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000884626796 1210765601 /nfs/dbraw/zinc/76/56/01/1210765601.db2.gz VINWIHDHHYCHRD-KURKYZTESA-N 2 1 358.486 0.806 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884626961 1210765906 /nfs/dbraw/zinc/76/59/06/1210765906.db2.gz AASKFUNEXGHWIM-CQSZACIVSA-N 2 1 356.470 0.549 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000884669698 1210775923 /nfs/dbraw/zinc/77/59/23/1210775923.db2.gz DNAKBYOYJDOBHC-FGTMMUONSA-N 2 1 358.486 0.806 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884676763 1210778627 /nfs/dbraw/zinc/77/86/27/1210778627.db2.gz XGVJFOTWJVIDHW-FUHWJXTLSA-N 2 1 360.502 0.987 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000884679168 1210779284 /nfs/dbraw/zinc/77/92/84/1210779284.db2.gz YECHHLMHBILUFG-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000884679168 1210779290 /nfs/dbraw/zinc/77/92/90/1210779290.db2.gz YECHHLMHBILUFG-ZWKOTPCHSA-N 2 1 374.485 0.166 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000884678699 1210779423 /nfs/dbraw/zinc/77/94/23/1210779423.db2.gz JRHZMJJEONBAEJ-OTWHNJEPSA-N 2 1 370.497 0.820 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884687451 1210781444 /nfs/dbraw/zinc/78/14/44/1210781444.db2.gz WDWFQBBDSIRBAV-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884687451 1210781448 /nfs/dbraw/zinc/78/14/48/1210781448.db2.gz WDWFQBBDSIRBAV-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884688309 1210781576 /nfs/dbraw/zinc/78/15/76/1210781576.db2.gz YKZOQWZPALIQBV-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884688309 1210781585 /nfs/dbraw/zinc/78/15/85/1210781585.db2.gz YKZOQWZPALIQBV-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000884688437 1210781786 /nfs/dbraw/zinc/78/17/86/1210781786.db2.gz CIZSJCUDTYZDNT-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000884688437 1210781792 /nfs/dbraw/zinc/78/17/92/1210781792.db2.gz CIZSJCUDTYZDNT-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884691625 1210782310 /nfs/dbraw/zinc/78/23/10/1210782310.db2.gz MTJPOVXIKKXZIQ-ZHALLVOQSA-N 2 1 372.513 0.987 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000884716608 1210787084 /nfs/dbraw/zinc/78/70/84/1210787084.db2.gz CWUXWPSBQNTYNR-BPQIPLTHSA-N 2 1 358.486 0.800 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884742402 1210792756 /nfs/dbraw/zinc/79/27/56/1210792756.db2.gz SFTZQVFNWWVPCR-SFHVURJKSA-N 2 1 360.502 0.911 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)cc1 ZINC000884820754 1210798531 /nfs/dbraw/zinc/79/85/31/1210798531.db2.gz WGLBQEHCTGMQCF-QGZVFWFLSA-N 2 1 362.474 0.167 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)C2)cc1 ZINC000884819633 1210798912 /nfs/dbraw/zinc/79/89/12/1210798912.db2.gz HULVSQOGDWDURR-NJAFHUGGSA-N 2 1 358.486 0.942 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884833585 1210800574 /nfs/dbraw/zinc/80/05/74/1210800574.db2.gz MMRVDYPUZXWAJT-YTQUADARSA-N 2 1 372.513 0.939 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000884837832 1210800775 /nfs/dbraw/zinc/80/07/75/1210800775.db2.gz LLMVHAOCVIIHHD-FUHWJXTLSA-N 2 1 356.470 0.501 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850764 1210801586 /nfs/dbraw/zinc/80/15/86/1210801586.db2.gz AAWQRIMKNFALPP-PKOBYXMFSA-N 2 1 370.497 0.891 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884890121 1210802989 /nfs/dbraw/zinc/80/29/89/1210802989.db2.gz PZNMSZCNNRXFIK-QZTJIDSGSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971459 1210805983 /nfs/dbraw/zinc/80/59/83/1210805983.db2.gz BTLYQXJABNWXTK-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971459 1210805984 /nfs/dbraw/zinc/80/59/84/1210805984.db2.gz BTLYQXJABNWXTK-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971458 1210806127 /nfs/dbraw/zinc/80/61/27/1210806127.db2.gz BTLYQXJABNWXTK-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971458 1210806129 /nfs/dbraw/zinc/80/61/29/1210806129.db2.gz BTLYQXJABNWXTK-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000884982709 1210806572 /nfs/dbraw/zinc/80/65/72/1210806572.db2.gz IRRSODWRYLVQTA-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884982906 1210806614 /nfs/dbraw/zinc/80/66/14/1210806614.db2.gz LKLZHGLWZFMMFJ-BPQIPLTHSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000884983466 1210806840 /nfs/dbraw/zinc/80/68/40/1210806840.db2.gz SHVVYRIVTKXBBA-XLIONFOSSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884983433 1210806905 /nfs/dbraw/zinc/80/69/05/1210806905.db2.gz RCXJSTDIBYQXCG-QZTJIDSGSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000884984178 1210806974 /nfs/dbraw/zinc/80/69/74/1210806974.db2.gz RMXQJLLWIUJRIA-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000884984178 1210806977 /nfs/dbraw/zinc/80/69/77/1210806977.db2.gz RMXQJLLWIUJRIA-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C ZINC000885139758 1210811924 /nfs/dbraw/zinc/81/19/24/1210811924.db2.gz LLKMFDSIUNEHCJ-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C ZINC000885139758 1210811926 /nfs/dbraw/zinc/81/19/26/1210811926.db2.gz LLKMFDSIUNEHCJ-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885149068 1210812649 /nfs/dbraw/zinc/81/26/49/1210812649.db2.gz WNTAHNSJWRZTID-CVEARBPZSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](CCN1CCOCC1)[C@H]1CC[C@H]([N@@H+](C)CCN2CCOCC2)CC1 ZINC000886391990 1210829045 /nfs/dbraw/zinc/82/90/45/1210829045.db2.gz MRKDDEWFBMTEGR-MXVIHJGJSA-N 2 1 368.566 0.826 20 0 FCADMP CON(C)C(=O)CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCC(=O)N(C)OC)CC1 ZINC000886389707 1210829118 /nfs/dbraw/zinc/82/91/18/1210829118.db2.gz UYVLATZHXIAASN-WKILWMFISA-N 2 1 372.510 0.981 20 0 FCADMP Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N1CC[NH+](C)CC1 ZINC000887052488 1210844109 /nfs/dbraw/zinc/84/41/09/1210844109.db2.gz WZKWJJOFEZDGSP-MNZLEMJZSA-N 2 1 361.490 0.399 20 0 FCADMP Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CC[NH+](C)CC1 ZINC000887052488 1210844110 /nfs/dbraw/zinc/84/41/10/1210844110.db2.gz WZKWJJOFEZDGSP-MNZLEMJZSA-N 2 1 361.490 0.399 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158610 1225244212 /nfs/dbraw/zinc/24/42/12/1225244212.db2.gz OEIPOVSGBKYZFN-ZACQAIPSSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158610 1225244218 /nfs/dbraw/zinc/24/42/18/1225244218.db2.gz OEIPOVSGBKYZFN-ZACQAIPSSA-N 2 1 368.522 0.458 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001274194111 1210907609 /nfs/dbraw/zinc/90/76/09/1210907609.db2.gz BOSVGXDSZSELPO-JXXFODFXSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001274195161 1210908020 /nfs/dbraw/zinc/90/80/20/1210908020.db2.gz NAGMVYZPYQXZNE-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163125 1225247787 /nfs/dbraw/zinc/24/77/87/1225247787.db2.gz SZZABOVUTLTCRB-OTWHNJEPSA-N 2 1 361.486 0.849 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163125 1225247791 /nfs/dbraw/zinc/24/77/91/1225247791.db2.gz SZZABOVUTLTCRB-OTWHNJEPSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163125 1225247796 /nfs/dbraw/zinc/24/77/96/1225247796.db2.gz SZZABOVUTLTCRB-OTWHNJEPSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221163125 1225247799 /nfs/dbraw/zinc/24/77/99/1225247799.db2.gz SZZABOVUTLTCRB-OTWHNJEPSA-N 2 1 361.486 0.849 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4(O)CC[NH+](C)CC4)[C@@H]3C2)n(C)n1 ZINC001274202989 1210911794 /nfs/dbraw/zinc/91/17/94/1210911794.db2.gz JNJCPOUKLWYXKF-DOTOQJQBSA-N 2 1 361.490 0.218 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C4(O)CC[NH+](C)CC4)[C@@H]3C2)n(C)n1 ZINC001274202989 1210911799 /nfs/dbraw/zinc/91/17/99/1210911799.db2.gz JNJCPOUKLWYXKF-DOTOQJQBSA-N 2 1 361.490 0.218 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000887939946 1210921157 /nfs/dbraw/zinc/92/11/57/1210921157.db2.gz AVTYSXBCYFAYMC-OZSVIZEDSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000887939946 1210921162 /nfs/dbraw/zinc/92/11/62/1210921162.db2.gz AVTYSXBCYFAYMC-OZSVIZEDSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000887939946 1210921164 /nfs/dbraw/zinc/92/11/64/1210921164.db2.gz AVTYSXBCYFAYMC-OZSVIZEDSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)n2)CC1 ZINC000889764800 1210949308 /nfs/dbraw/zinc/94/93/08/1210949308.db2.gz YKEJTLCODGQOEL-ROUUACIJSA-N 2 1 373.501 0.505 20 0 FCADMP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830506 1210986522 /nfs/dbraw/zinc/98/65/22/1210986522.db2.gz FQWFPFKVQAYHIQ-COXLTSFISA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110830506 1210986523 /nfs/dbraw/zinc/98/65/23/1210986523.db2.gz FQWFPFKVQAYHIQ-COXLTSFISA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)OCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110830506 1210986525 /nfs/dbraw/zinc/98/65/25/1210986525.db2.gz FQWFPFKVQAYHIQ-COXLTSFISA-N 2 1 363.502 0.996 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397060 1211044392 /nfs/dbraw/zinc/04/43/92/1211044392.db2.gz MQYRGYBELHXPNU-ICSRJNTNSA-N 2 1 366.550 0.972 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCC[N@@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152684 1211182140 /nfs/dbraw/zinc/18/21/40/1211182140.db2.gz NVCIYVWFAXPRRU-DNVCBOLYSA-N 2 1 359.474 0.903 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275178535 1211191255 /nfs/dbraw/zinc/19/12/55/1211191255.db2.gz XKROLYCFQCDFMD-QGZVFWFLSA-N 2 1 360.506 0.053 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cnc4ccccn34)C2)OCC1=O ZINC001275179695 1211191590 /nfs/dbraw/zinc/19/15/90/1211191590.db2.gz SPDBJONWKVUALC-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cnc4ccccn34)C2)OCC1=O ZINC001275179695 1211191591 /nfs/dbraw/zinc/19/15/91/1211191591.db2.gz SPDBJONWKVUALC-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511562 1211252472 /nfs/dbraw/zinc/25/24/72/1211252472.db2.gz KGAUJLFQSVXCMC-IBGZPJMESA-N 2 1 368.522 0.402 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511562 1211252474 /nfs/dbraw/zinc/25/24/74/1211252474.db2.gz KGAUJLFQSVXCMC-IBGZPJMESA-N 2 1 368.522 0.402 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275510891 1211252847 /nfs/dbraw/zinc/25/28/47/1211252847.db2.gz AYAYOHFKQRZYSY-KXBFYZLASA-N 2 1 369.506 0.687 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556004 1211255995 /nfs/dbraw/zinc/25/59/95/1211255995.db2.gz GLMSRAUYAITNSY-DNVCBOLYSA-N 2 1 364.490 0.433 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556953 1211256379 /nfs/dbraw/zinc/25/63/79/1211256379.db2.gz QXHKOCVEHTZZLP-APWZRJJASA-N 2 1 367.490 0.583 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556930 1211256460 /nfs/dbraw/zinc/25/64/60/1211256460.db2.gz QQURYTGUEXGYHA-HNAYVOBHSA-N 2 1 367.490 0.441 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275557010 1211256996 /nfs/dbraw/zinc/25/69/96/1211256996.db2.gz SAVCBOZQHQRBBO-LJQANCHMSA-N 2 1 369.506 0.500 20 0 FCADMP COc1cc(O)ccc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275704670 1211273846 /nfs/dbraw/zinc/27/38/46/1211273846.db2.gz VDMNLDFJQDGCRF-LJQANCHMSA-N 2 1 363.458 0.766 20 0 FCADMP O=C1C[C@@]2(CN1Cc1ncccn1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275737528 1211278880 /nfs/dbraw/zinc/27/88/80/1211278880.db2.gz LBEFWIHFOBZRKY-LJQANCHMSA-N 2 1 359.474 0.527 20 0 FCADMP O=C1CC[C@H](CN2CC[C@@]3(CCC[N@@H+](CC4CC[NH2+]CC4)CC3)C2=O)N1 ZINC001275737638 1211279119 /nfs/dbraw/zinc/27/91/19/1211279119.db2.gz MTTHSEMHRJDNGB-XLIONFOSSA-N 2 1 362.518 0.969 20 0 FCADMP CC(C)OC(=O)CN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275742105 1211279724 /nfs/dbraw/zinc/27/97/24/1211279724.db2.gz AQBFRUUUBPPSOD-UHFFFAOYSA-N 2 1 367.490 0.583 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](C4CCCC4)C[C@H](C2)O3)C1 ZINC001275817986 1211290488 /nfs/dbraw/zinc/29/04/88/1211290488.db2.gz WJFLAJRKACMPNC-BHYGNILZSA-N 2 1 365.474 0.336 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](C4CCCC4)C[C@H](C2)O3)C1 ZINC001275817986 1211290489 /nfs/dbraw/zinc/29/04/89/1211290489.db2.gz WJFLAJRKACMPNC-BHYGNILZSA-N 2 1 365.474 0.336 20 0 FCADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)C1 ZINC001275817986 1211290491 /nfs/dbraw/zinc/29/04/91/1211290491.db2.gz WJFLAJRKACMPNC-BHYGNILZSA-N 2 1 365.474 0.336 20 0 FCADMP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)C1 ZINC001275817986 1211290493 /nfs/dbraw/zinc/29/04/93/1211290493.db2.gz WJFLAJRKACMPNC-BHYGNILZSA-N 2 1 365.474 0.336 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880719 1211304955 /nfs/dbraw/zinc/30/49/55/1211304955.db2.gz VUBHFFAQUQTVAX-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275880719 1211304958 /nfs/dbraw/zinc/30/49/58/1211304958.db2.gz VUBHFFAQUQTVAX-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001275880719 1211304959 /nfs/dbraw/zinc/30/49/59/1211304959.db2.gz VUBHFFAQUQTVAX-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880719 1211304961 /nfs/dbraw/zinc/30/49/61/1211304961.db2.gz VUBHFFAQUQTVAX-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H]3C(=O)NC[C@H]3CCC(=O)N3)CC2)C1 ZINC001275881342 1211305316 /nfs/dbraw/zinc/30/53/16/1211305316.db2.gz ZDEWWEFCKUTTIS-BBWFWOEESA-N 2 1 362.518 0.825 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3Cc2ncccn2)CC1 ZINC001275880630 1211305471 /nfs/dbraw/zinc/30/54/71/1211305471.db2.gz VCYHRDKSRBSNPU-UHFFFAOYSA-N 2 1 359.474 0.622 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878825 1211305716 /nfs/dbraw/zinc/30/57/16/1211305716.db2.gz LYGKWEMZNWUHJF-PKOBYXMFSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275878825 1211305728 /nfs/dbraw/zinc/30/57/28/1211305728.db2.gz LYGKWEMZNWUHJF-PKOBYXMFSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878825 1211305730 /nfs/dbraw/zinc/30/57/30/1211305730.db2.gz LYGKWEMZNWUHJF-PKOBYXMFSA-N 2 1 369.506 0.500 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879152 1211305839 /nfs/dbraw/zinc/30/58/39/1211305839.db2.gz OCUGDEYPSGBFBI-HNAYVOBHSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879152 1211305841 /nfs/dbraw/zinc/30/58/41/1211305841.db2.gz OCUGDEYPSGBFBI-HNAYVOBHSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879152 1211305845 /nfs/dbraw/zinc/30/58/45/1211305845.db2.gz OCUGDEYPSGBFBI-HNAYVOBHSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879152 1211305847 /nfs/dbraw/zinc/30/58/47/1211305847.db2.gz OCUGDEYPSGBFBI-HNAYVOBHSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879517 1211306230 /nfs/dbraw/zinc/30/62/30/1211306230.db2.gz PIIOHGGFMGXPRM-VQIMIIECSA-N 2 1 359.474 0.622 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879517 1211306233 /nfs/dbraw/zinc/30/62/33/1211306233.db2.gz PIIOHGGFMGXPRM-VQIMIIECSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879517 1211306237 /nfs/dbraw/zinc/30/62/37/1211306237.db2.gz PIIOHGGFMGXPRM-VQIMIIECSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879517 1211306240 /nfs/dbraw/zinc/30/62/40/1211306240.db2.gz PIIOHGGFMGXPRM-VQIMIIECSA-N 2 1 359.474 0.622 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275893002 1211307306 /nfs/dbraw/zinc/30/73/06/1211307306.db2.gz NSIKFCRGSGJHFH-LJQANCHMSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CC3C(=O)N=CNC3=O)CC2)C1=O ZINC001275896280 1211308385 /nfs/dbraw/zinc/30/83/85/1211308385.db2.gz XAQXCLILDHDUNA-SFHVURJKSA-N 2 1 363.462 0.654 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4ncccc34)C2)OCC1=O ZINC001275932345 1211311927 /nfs/dbraw/zinc/31/19/27/1211311927.db2.gz CZZPDIQZLSHIBZ-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)n1 ZINC001095432275 1211334843 /nfs/dbraw/zinc/33/48/43/1211334843.db2.gz YURSSBGWBGLXDL-PVAVHDDUSA-N 2 1 372.477 0.072 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001276112324 1211358424 /nfs/dbraw/zinc/35/84/24/1211358424.db2.gz SRMYSZGPHMHCMW-GOSISDBHSA-N 2 1 361.446 0.249 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3cc4c(cn3)OCCO4)C2)C1=O ZINC001276233235 1211385780 /nfs/dbraw/zinc/38/57/80/1211385780.db2.gz INFAWOYAMICYRB-IBGZPJMESA-N 2 1 360.458 0.839 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095529600 1211397281 /nfs/dbraw/zinc/39/72/81/1211397281.db2.gz XYPHDNVIYOVYKW-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095529600 1211397283 /nfs/dbraw/zinc/39/72/83/1211397283.db2.gz XYPHDNVIYOVYKW-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001095529600 1211397287 /nfs/dbraw/zinc/39/72/87/1211397287.db2.gz XYPHDNVIYOVYKW-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001095529600 1211397290 /nfs/dbraw/zinc/39/72/90/1211397290.db2.gz XYPHDNVIYOVYKW-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CCCC2)CC1 ZINC000545176903 1211414291 /nfs/dbraw/zinc/41/42/91/1211414291.db2.gz QZNFUXQMJVNTCQ-IBGZPJMESA-N 2 1 368.522 0.776 20 0 FCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000547282009 1211452286 /nfs/dbraw/zinc/45/22/86/1211452286.db2.gz NOQURCNAWCFDPR-LJQANCHMSA-N 2 1 362.474 0.749 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000547282009 1211452289 /nfs/dbraw/zinc/45/22/89/1211452289.db2.gz NOQURCNAWCFDPR-LJQANCHMSA-N 2 1 362.474 0.749 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523923 1211472965 /nfs/dbraw/zinc/47/29/65/1211472965.db2.gz CWSNBMSTULCNBT-YOEHRIQHSA-N 2 1 360.458 0.889 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523923 1211472968 /nfs/dbraw/zinc/47/29/68/1211472968.db2.gz CWSNBMSTULCNBT-YOEHRIQHSA-N 2 1 360.458 0.889 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000924657394 1211476168 /nfs/dbraw/zinc/47/61/68/1211476168.db2.gz BPOJYLNWTRFDOT-KRWDZBQOSA-N 2 1 374.489 0.596 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000926389562 1211544243 /nfs/dbraw/zinc/54/42/43/1211544243.db2.gz RUAJQMVOYHWUQR-IPMKNSEASA-N 2 1 370.497 0.440 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000926389562 1211544256 /nfs/dbraw/zinc/54/42/56/1211544256.db2.gz RUAJQMVOYHWUQR-IPMKNSEASA-N 2 1 370.497 0.440 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926393357 1211545192 /nfs/dbraw/zinc/54/51/92/1211545192.db2.gz DGCZNIJHZDSQCT-OALUTQOASA-N 2 1 372.513 0.959 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]1 ZINC000927478516 1211571917 /nfs/dbraw/zinc/57/19/17/1211571917.db2.gz VKRCDLSMROAJQR-UHFFFAOYSA-N 2 1 374.489 0.752 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[NH+]2C)c1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556213 1211604616 /nfs/dbraw/zinc/60/46/16/1211604616.db2.gz NQSYADBTCYWZGE-LSDHHAIUSA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[N@@H+]2C)c1C(=O)NC[C@H]1CC[NH+]1C ZINC000928556213 1211604619 /nfs/dbraw/zinc/60/46/19/1211604619.db2.gz NQSYADBTCYWZGE-LSDHHAIUSA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[N@H+]2C)c1C(=O)NC[C@H]1CC[NH+]1C ZINC000928556213 1211604624 /nfs/dbraw/zinc/60/46/24/1211604624.db2.gz NQSYADBTCYWZGE-LSDHHAIUSA-N 2 1 361.490 0.130 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000928559678 1211605584 /nfs/dbraw/zinc/60/55/84/1211605584.db2.gz MEWXWKWBKWOTRG-QZTJIDSGSA-N 2 1 358.486 0.412 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000929410619 1211637664 /nfs/dbraw/zinc/63/76/64/1211637664.db2.gz CYEGJRZNPXJYMB-GOSISDBHSA-N 2 1 373.501 0.135 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931434142 1211756190 /nfs/dbraw/zinc/75/61/90/1211756190.db2.gz NILXCULTLWKFLT-JKSUJKDBSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931434142 1211756193 /nfs/dbraw/zinc/75/61/93/1211756193.db2.gz NILXCULTLWKFLT-JKSUJKDBSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000931434142 1211756195 /nfs/dbraw/zinc/75/61/95/1211756195.db2.gz NILXCULTLWKFLT-JKSUJKDBSA-N 2 1 374.485 0.976 20 0 FCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000931434142 1211756199 /nfs/dbraw/zinc/75/61/99/1211756199.db2.gz NILXCULTLWKFLT-JKSUJKDBSA-N 2 1 374.485 0.976 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931873546 1211776401 /nfs/dbraw/zinc/77/64/01/1211776401.db2.gz QIOGBGVATKMCPR-CQSZACIVSA-N 2 1 368.428 0.675 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931873546 1211776405 /nfs/dbraw/zinc/77/64/05/1211776405.db2.gz QIOGBGVATKMCPR-CQSZACIVSA-N 2 1 368.428 0.675 20 0 FCADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931877668 1211777537 /nfs/dbraw/zinc/77/75/37/1211777537.db2.gz IQWYYLDGLJKMJA-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931877668 1211777538 /nfs/dbraw/zinc/77/75/38/1211777538.db2.gz IQWYYLDGLJKMJA-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931877668 1211777545 /nfs/dbraw/zinc/77/75/45/1211777545.db2.gz IQWYYLDGLJKMJA-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931877668 1211777548 /nfs/dbraw/zinc/77/75/48/1211777548.db2.gz IQWYYLDGLJKMJA-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1nnn(C)n1 ZINC000932266671 1211803496 /nfs/dbraw/zinc/80/34/96/1211803496.db2.gz SSPXMGKJQFHYKL-UHFFFAOYSA-N 2 1 364.498 0.870 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000932819385 1211823564 /nfs/dbraw/zinc/82/35/64/1211823564.db2.gz VODXWAQNEUMWFU-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000932819385 1211823566 /nfs/dbraw/zinc/82/35/66/1211823566.db2.gz VODXWAQNEUMWFU-JKSUJKDBSA-N 2 1 359.474 0.861 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000933850351 1211849076 /nfs/dbraw/zinc/84/90/76/1211849076.db2.gz GDVAABXRUPTEKU-MRXNPFEDSA-N 2 1 360.458 0.909 20 0 FCADMP CCc1cc(N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111142132 1211897566 /nfs/dbraw/zinc/89/75/66/1211897566.db2.gz TZAGZBOCKUKVFX-NRXGSXMXSA-N 2 1 361.490 0.745 20 0 FCADMP CCc1cc(N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111142132 1211897567 /nfs/dbraw/zinc/89/75/67/1211897567.db2.gz TZAGZBOCKUKVFX-NRXGSXMXSA-N 2 1 361.490 0.745 20 0 FCADMP CCc1nc(N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001111142184 1211897891 /nfs/dbraw/zinc/89/78/91/1211897891.db2.gz VEOVZXFXYUWSLK-CLCXKQKWSA-N 2 1 361.490 0.745 20 0 FCADMP CCc1nc(N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001111142184 1211897894 /nfs/dbraw/zinc/89/78/94/1211897894.db2.gz VEOVZXFXYUWSLK-CLCXKQKWSA-N 2 1 361.490 0.745 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)CC1 ZINC001111198252 1211923874 /nfs/dbraw/zinc/92/38/74/1211923874.db2.gz QKZFWFULNHGILS-OIISXLGYSA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)CC1 ZINC001111198252 1211923877 /nfs/dbraw/zinc/92/38/77/1211923877.db2.gz QKZFWFULNHGILS-OIISXLGYSA-N 2 1 364.490 0.051 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001111230127 1211935653 /nfs/dbraw/zinc/93/56/53/1211935653.db2.gz GVNQWVLBDIRXTL-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001111230127 1211935657 /nfs/dbraw/zinc/93/56/57/1211935657.db2.gz GVNQWVLBDIRXTL-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001111230127 1211935665 /nfs/dbraw/zinc/93/56/65/1211935665.db2.gz GVNQWVLBDIRXTL-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001111230127 1211935671 /nfs/dbraw/zinc/93/56/71/1211935671.db2.gz GVNQWVLBDIRXTL-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282410 1212236075 /nfs/dbraw/zinc/23/60/75/1212236075.db2.gz OPAHWOXVKUCNBT-TVFCKZIOSA-N 2 1 365.518 0.837 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000969069217 1212253786 /nfs/dbraw/zinc/25/37/86/1212253786.db2.gz OLQPVLNRNXOSTD-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000969069217 1212253793 /nfs/dbraw/zinc/25/37/93/1212253793.db2.gz OLQPVLNRNXOSTD-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP COC[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123449 1212300051 /nfs/dbraw/zinc/30/00/51/1212300051.db2.gz CQUYMGWBOMOOKJ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP COC[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123449 1212300059 /nfs/dbraw/zinc/30/00/59/1212300059.db2.gz CQUYMGWBOMOOKJ-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000949185327 1212317258 /nfs/dbraw/zinc/31/72/58/1212317258.db2.gz ZIZGKGIDYZLFKR-FRFSOERESA-N 2 1 355.442 0.863 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000949214226 1212327175 /nfs/dbraw/zinc/32/71/75/1212327175.db2.gz QWXMFEASHFKYAE-GDBMZVCRSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559720 1225366808 /nfs/dbraw/zinc/36/68/08/1225366808.db2.gz NAYJDJZNDMNOPZ-JFIYKMOQSA-N 2 1 363.506 0.752 20 0 FCADMP CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCc1ncc[nH]1)C2 ZINC001007186716 1212420671 /nfs/dbraw/zinc/42/06/71/1212420671.db2.gz PPWKIXNYOYRKDE-KHYOSLBOSA-N 2 1 359.474 0.934 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)CC[N@H+]1C ZINC001007524094 1212516702 /nfs/dbraw/zinc/51/67/02/1212516702.db2.gz HPGCQDAQZHGJHQ-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001111307628 1212530540 /nfs/dbraw/zinc/53/05/40/1212530540.db2.gz OCLYFJNUBGGBNL-TVFCKZIOSA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001111307628 1212530548 /nfs/dbraw/zinc/53/05/48/1212530548.db2.gz OCLYFJNUBGGBNL-TVFCKZIOSA-N 2 1 371.522 0.464 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001111307628 1212530551 /nfs/dbraw/zinc/53/05/51/1212530551.db2.gz OCLYFJNUBGGBNL-TVFCKZIOSA-N 2 1 371.522 0.464 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001007616378 1212537616 /nfs/dbraw/zinc/53/76/16/1212537616.db2.gz FDDSXUHFOBHKNM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001007616378 1212537622 /nfs/dbraw/zinc/53/76/22/1212537622.db2.gz FDDSXUHFOBHKNM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001007616378 1212537624 /nfs/dbraw/zinc/53/76/24/1212537624.db2.gz FDDSXUHFOBHKNM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001007616378 1212537632 /nfs/dbraw/zinc/53/76/32/1212537632.db2.gz FDDSXUHFOBHKNM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001007701854 1212558161 /nfs/dbraw/zinc/55/81/61/1212558161.db2.gz NEBKJWBKQWWMIZ-UWVAXJGDSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C)C2 ZINC001007946832 1212605326 /nfs/dbraw/zinc/60/53/26/1212605326.db2.gz QWQZRMVHTHKJLC-GMBSWORKSA-N 2 1 359.474 0.852 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ncc(F)cn3)CC2)CC[N@H+]1C ZINC001111323558 1212643411 /nfs/dbraw/zinc/64/34/11/1212643411.db2.gz JCAQXBSCJVVEIY-CZUORRHYSA-N 2 1 364.469 0.948 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000951420808 1212825393 /nfs/dbraw/zinc/82/53/93/1212825393.db2.gz AJUVDPBHGPVOSB-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2cccnc2)C1 ZINC001111405811 1212992389 /nfs/dbraw/zinc/99/23/89/1212992389.db2.gz FOXGVTVXAIKOOO-MLHJIOFPSA-N 2 1 371.485 0.371 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407323 1212993310 /nfs/dbraw/zinc/99/33/10/1212993310.db2.gz QOPQMFIXNQQATH-FPCVCCKLSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407323 1212993313 /nfs/dbraw/zinc/99/33/13/1212993313.db2.gz QOPQMFIXNQQATH-FPCVCCKLSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407323 1212993316 /nfs/dbraw/zinc/99/33/16/1212993316.db2.gz QOPQMFIXNQQATH-FPCVCCKLSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001111407323 1212993317 /nfs/dbraw/zinc/99/33/17/1212993317.db2.gz QOPQMFIXNQQATH-FPCVCCKLSA-N 2 1 365.522 0.757 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000953977286 1213029505 /nfs/dbraw/zinc/02/95/05/1213029505.db2.gz OFWSVUPZDGUJBG-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000954649320 1213097331 /nfs/dbraw/zinc/09/73/31/1213097331.db2.gz PRZGPQJOBLTWAM-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000954649320 1213097335 /nfs/dbraw/zinc/09/73/35/1213097335.db2.gz PRZGPQJOBLTWAM-GDBMZVCRSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CCN3CCOCC3)C2)CC[N@H+]1C ZINC000957012488 1213230837 /nfs/dbraw/zinc/23/08/37/1213230837.db2.gz INZPMKNREFWPNT-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000957012488 1213230839 /nfs/dbraw/zinc/23/08/39/1213230839.db2.gz INZPMKNREFWPNT-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000957012488 1213230841 /nfs/dbraw/zinc/23/08/41/1213230841.db2.gz INZPMKNREFWPNT-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000957091558 1213249714 /nfs/dbraw/zinc/24/97/14/1213249714.db2.gz BRRFYCCMVMNMQF-FRFSOERESA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1NC(=O)Cc1cncn1C ZINC000957094122 1213251118 /nfs/dbraw/zinc/25/11/18/1213251118.db2.gz VQBICNSKGNPOKA-CZUORRHYSA-N 2 1 370.457 0.701 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001221692912 1225443931 /nfs/dbraw/zinc/44/39/31/1225443931.db2.gz RLJHZVAUDHCOLA-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001221692912 1225443936 /nfs/dbraw/zinc/44/39/36/1225443936.db2.gz RLJHZVAUDHCOLA-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP COCOCCC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276310632 1213384761 /nfs/dbraw/zinc/38/47/61/1213384761.db2.gz AAIWUUNVLBKCAX-GOSISDBHSA-N 2 1 364.446 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000958169493 1213386677 /nfs/dbraw/zinc/38/66/77/1213386677.db2.gz SFHVJLIEKZZNCW-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[N@H+]1C ZINC000959971781 1213566143 /nfs/dbraw/zinc/56/61/43/1213566143.db2.gz GFPXLOCRHPCQED-FUEZWAHWSA-N 2 1 356.470 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[NH+]1C ZINC000959971781 1213566151 /nfs/dbraw/zinc/56/61/51/1213566151.db2.gz GFPXLOCRHPCQED-FUEZWAHWSA-N 2 1 356.470 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)CC[NH+]1C ZINC000959971781 1213566156 /nfs/dbraw/zinc/56/61/56/1213566156.db2.gz GFPXLOCRHPCQED-FUEZWAHWSA-N 2 1 356.470 0.672 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4nc(C)nc4C)C[C@H]32)CC[N@H+]1C ZINC000959987158 1213572092 /nfs/dbraw/zinc/57/20/92/1213572092.db2.gz VWRNZANLAPPSSL-QXDIGNSFSA-N 2 1 360.506 0.672 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4nc(C)nc4C)C[C@H]32)CC[NH+]1C ZINC000959987158 1213572094 /nfs/dbraw/zinc/57/20/94/1213572094.db2.gz VWRNZANLAPPSSL-QXDIGNSFSA-N 2 1 360.506 0.672 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4nc(C)nc4C)C[C@H]32)CC[NH+]1C ZINC000959987158 1213572098 /nfs/dbraw/zinc/57/20/98/1213572098.db2.gz VWRNZANLAPPSSL-QXDIGNSFSA-N 2 1 360.506 0.672 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418833168 1213850563 /nfs/dbraw/zinc/85/05/63/1213850563.db2.gz KUXRGWNRRLAQFI-BEFAXECRSA-N 2 1 360.458 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001067081211 1213973698 /nfs/dbraw/zinc/97/36/98/1213973698.db2.gz JHHTXIXQNOLEEF-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001067081211 1213973700 /nfs/dbraw/zinc/97/37/00/1213973700.db2.gz JHHTXIXQNOLEEF-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001067081211 1213973706 /nfs/dbraw/zinc/97/37/06/1213973706.db2.gz JHHTXIXQNOLEEF-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001067081211 1213973715 /nfs/dbraw/zinc/97/37/15/1213973715.db2.gz JHHTXIXQNOLEEF-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N(C)C2CC2)CC3)CC[N@H+]1C ZINC001016631740 1214024555 /nfs/dbraw/zinc/02/45/55/1214024555.db2.gz CMNWXUIPZDRBFW-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001018870603 1214166536 /nfs/dbraw/zinc/16/65/36/1214166536.db2.gz RCJFLFLWEXTUNK-SOUVJXGZSA-N 2 1 363.510 0.849 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001018870603 1214166542 /nfs/dbraw/zinc/16/65/42/1214166542.db2.gz RCJFLFLWEXTUNK-SOUVJXGZSA-N 2 1 363.510 0.849 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419398106 1214167702 /nfs/dbraw/zinc/16/77/02/1214167702.db2.gz WGDGZPYLTKUIKF-HXUWFJFHSA-N 2 1 356.470 0.515 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419398106 1214167709 /nfs/dbraw/zinc/16/77/09/1214167709.db2.gz WGDGZPYLTKUIKF-HXUWFJFHSA-N 2 1 356.470 0.515 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[NH+]2C)C3)CC[N@H+]1C ZINC001019071758 1214191643 /nfs/dbraw/zinc/19/16/43/1214191643.db2.gz ZCWIUOBFKNWFSA-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C3)CC[NH+]1C ZINC001019071758 1214191646 /nfs/dbraw/zinc/19/16/46/1214191646.db2.gz ZCWIUOBFKNWFSA-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCC[N@H+]2C)C3)CC[NH+]1C ZINC001019071758 1214191651 /nfs/dbraw/zinc/19/16/51/1214191651.db2.gz ZCWIUOBFKNWFSA-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[NH+]2C)C3)CC[N@H+]1C ZINC001019071757 1214192015 /nfs/dbraw/zinc/19/20/15/1214192015.db2.gz ZCWIUOBFKNWFSA-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C3)CC[NH+]1C ZINC001019071757 1214192020 /nfs/dbraw/zinc/19/20/20/1214192020.db2.gz ZCWIUOBFKNWFSA-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C3)CC[NH+]1C ZINC001019071757 1214192025 /nfs/dbraw/zinc/19/20/25/1214192025.db2.gz ZCWIUOBFKNWFSA-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@@H+]4CCC[C@@H]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961664447 1214260897 /nfs/dbraw/zinc/26/08/97/1214260897.db2.gz ANDAVIHNMJGZLS-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCC[C@@H]4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664447 1214260900 /nfs/dbraw/zinc/26/09/00/1214260900.db2.gz ANDAVIHNMJGZLS-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCC[C@@H]4C)C[C@@H]3C2)CC[N@H+]1C ZINC000961664447 1214260905 /nfs/dbraw/zinc/26/09/05/1214260905.db2.gz ANDAVIHNMJGZLS-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872083 1225515453 /nfs/dbraw/zinc/51/54/53/1225515453.db2.gz QEQQPHSMZOQAHO-KZNAEPCWSA-N 2 1 369.506 0.029 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872083 1225515456 /nfs/dbraw/zinc/51/54/56/1225515456.db2.gz QEQQPHSMZOQAHO-KZNAEPCWSA-N 2 1 369.506 0.029 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2cnnn2C)C3)CC[N@@H+]1C ZINC001040211023 1214485013 /nfs/dbraw/zinc/48/50/13/1214485013.db2.gz SRVYOWMFLGZFMA-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2cnnn2C)C3)CC[N@H+]1C ZINC001040211023 1214485016 /nfs/dbraw/zinc/48/50/16/1214485016.db2.gz SRVYOWMFLGZFMA-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cnnn2C)C3)CC[NH+]1C ZINC001040211023 1214485020 /nfs/dbraw/zinc/48/50/20/1214485020.db2.gz SRVYOWMFLGZFMA-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cnnn2C)C3)CC[NH+]1C ZINC001040211023 1214485024 /nfs/dbraw/zinc/48/50/24/1214485024.db2.gz SRVYOWMFLGZFMA-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221944974 1225545011 /nfs/dbraw/zinc/54/50/11/1225545011.db2.gz CUSDTHUZTWDCAS-KZNAEPCWSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944974 1225545016 /nfs/dbraw/zinc/54/50/16/1225545016.db2.gz CUSDTHUZTWDCAS-KZNAEPCWSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221944974 1225545021 /nfs/dbraw/zinc/54/50/21/1225545021.db2.gz CUSDTHUZTWDCAS-KZNAEPCWSA-N 2 1 366.506 0.014 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949592 1225548512 /nfs/dbraw/zinc/54/85/12/1225548512.db2.gz CNRAJRAOPJOWMB-KZNAEPCWSA-N 2 1 363.502 0.811 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949874 1225548779 /nfs/dbraw/zinc/54/87/79/1225548779.db2.gz LGXFHHUBJIAWCM-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949874 1225548784 /nfs/dbraw/zinc/54/87/84/1225548784.db2.gz LGXFHHUBJIAWCM-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221950341 1225549374 /nfs/dbraw/zinc/54/93/74/1225549374.db2.gz CQOWXNUKCXOCDI-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221957944 1225553381 /nfs/dbraw/zinc/55/33/81/1225553381.db2.gz CTBCXWCRLIHPKE-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221957944 1225553384 /nfs/dbraw/zinc/55/33/84/1225553384.db2.gz CTBCXWCRLIHPKE-RRFJBIMHSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC000963338134 1214798113 /nfs/dbraw/zinc/79/81/13/1214798113.db2.gz QREZBLWFLVDSCQ-SSHXOBKSSA-N 2 1 363.510 0.800 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962785 1225555517 /nfs/dbraw/zinc/55/55/17/1225555517.db2.gz VWIOKTJUYLEVNP-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962785 1225555522 /nfs/dbraw/zinc/55/55/22/1225555522.db2.gz VWIOKTJUYLEVNP-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]CCn3cccn3)CC2)O1 ZINC000963520440 1214817615 /nfs/dbraw/zinc/81/76/15/1214817615.db2.gz UEUNMPGTYPOCFA-AQEOSJORSA-N 2 1 363.506 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]CCn3cccn3)CC2)O1 ZINC000963520440 1214817618 /nfs/dbraw/zinc/81/76/18/1214817618.db2.gz UEUNMPGTYPOCFA-AQEOSJORSA-N 2 1 363.506 0.961 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001222126803 1225603404 /nfs/dbraw/zinc/60/34/04/1225603404.db2.gz YUXLCJRGPSNLHK-KSZLIROESA-N 2 1 372.517 0.938 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001222126803 1225603408 /nfs/dbraw/zinc/60/34/08/1225603408.db2.gz YUXLCJRGPSNLHK-KSZLIROESA-N 2 1 372.517 0.938 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462968 1225625798 /nfs/dbraw/zinc/62/57/98/1225625798.db2.gz CFDJIYIZKVHZOQ-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462968 1225625801 /nfs/dbraw/zinc/62/58/01/1225625801.db2.gz CFDJIYIZKVHZOQ-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462968 1225625803 /nfs/dbraw/zinc/62/58/03/1225625803.db2.gz CFDJIYIZKVHZOQ-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462968 1225625807 /nfs/dbraw/zinc/62/58/07/1225625807.db2.gz CFDJIYIZKVHZOQ-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342864 1216037194 /nfs/dbraw/zinc/03/71/94/1216037194.db2.gz QJKNTELQFIOCMT-CEXWTWQISA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC001000342864 1216037201 /nfs/dbraw/zinc/03/72/01/1216037201.db2.gz QJKNTELQFIOCMT-CEXWTWQISA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC001000342864 1216037212 /nfs/dbraw/zinc/03/72/12/1216037212.db2.gz QJKNTELQFIOCMT-CEXWTWQISA-N 2 1 370.497 0.753 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001222798999 1225653639 /nfs/dbraw/zinc/65/36/39/1225653639.db2.gz CGXNEXQAPLCPIO-IKGGRYGDSA-N 2 1 368.497 0.821 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001222798999 1225653641 /nfs/dbraw/zinc/65/36/41/1225653641.db2.gz CGXNEXQAPLCPIO-IKGGRYGDSA-N 2 1 368.497 0.821 20 0 FCADMP CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222891634 1225663439 /nfs/dbraw/zinc/66/34/39/1225663439.db2.gz HJLUKRJBLCKRAR-FGTMMUONSA-N 2 1 363.506 0.773 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222891634 1225663441 /nfs/dbraw/zinc/66/34/41/1225663441.db2.gz HJLUKRJBLCKRAR-FGTMMUONSA-N 2 1 363.506 0.773 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057587206 1216362712 /nfs/dbraw/zinc/36/27/12/1216362712.db2.gz AEAHUNSEBIJPQU-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057587206 1216362719 /nfs/dbraw/zinc/36/27/19/1216362719.db2.gz AEAHUNSEBIJPQU-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057587206 1216362725 /nfs/dbraw/zinc/36/27/25/1216362725.db2.gz AEAHUNSEBIJPQU-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@H](C)[N@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001276850824 1225668233 /nfs/dbraw/zinc/66/82/33/1225668233.db2.gz GPLVNQCSCXIOOT-ICSRJNTNSA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCCOC)[C@H]2C1)[NH+](C)C ZINC001222959061 1225670239 /nfs/dbraw/zinc/67/02/39/1225670239.db2.gz KACRNBCVWGUZQE-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)CC[N@H+]1C ZINC001051622150 1216466719 /nfs/dbraw/zinc/46/67/19/1216466719.db2.gz NWWSLQMACMCZGK-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489218 1216562058 /nfs/dbraw/zinc/56/20/58/1216562058.db2.gz MYBBXMGXHRNGLX-ZTFGCOKTSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489218 1216562070 /nfs/dbraw/zinc/56/20/70/1216562070.db2.gz MYBBXMGXHRNGLX-ZTFGCOKTSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489218 1216562075 /nfs/dbraw/zinc/56/20/75/1216562075.db2.gz MYBBXMGXHRNGLX-ZTFGCOKTSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489218 1216562081 /nfs/dbraw/zinc/56/20/81/1216562081.db2.gz MYBBXMGXHRNGLX-ZTFGCOKTSA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001058038698 1216623674 /nfs/dbraw/zinc/62/36/74/1216623674.db2.gz DNPAMZQYXOPFJY-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001058038698 1216623684 /nfs/dbraw/zinc/62/36/84/1216623684.db2.gz DNPAMZQYXOPFJY-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001058038698 1216623689 /nfs/dbraw/zinc/62/36/89/1216623689.db2.gz DNPAMZQYXOPFJY-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150520 1225683921 /nfs/dbraw/zinc/68/39/21/1225683921.db2.gz BCRQTXVJFXBUMC-QGRXYFRJSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150520 1225683925 /nfs/dbraw/zinc/68/39/25/1225683925.db2.gz BCRQTXVJFXBUMC-QGRXYFRJSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150520 1225683929 /nfs/dbraw/zinc/68/39/29/1225683929.db2.gz BCRQTXVJFXBUMC-QGRXYFRJSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)O1 ZINC001067712461 1216696597 /nfs/dbraw/zinc/69/65/97/1216696597.db2.gz QZGDYTCOJXSEKM-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)O1 ZINC001067712461 1216696600 /nfs/dbraw/zinc/69/66/00/1216696600.db2.gz QZGDYTCOJXSEKM-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)O1 ZINC001067712461 1216696602 /nfs/dbraw/zinc/69/66/02/1216696602.db2.gz QZGDYTCOJXSEKM-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)O1 ZINC001067712461 1216696606 /nfs/dbraw/zinc/69/66/06/1216696606.db2.gz QZGDYTCOJXSEKM-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068884223 1216764796 /nfs/dbraw/zinc/76/47/96/1216764796.db2.gz BRAOEFGBUFTWPD-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068901433 1216766923 /nfs/dbraw/zinc/76/69/23/1216766923.db2.gz IVBAYDBQULKBPR-BZUAXINKSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068901433 1216766926 /nfs/dbraw/zinc/76/69/26/1216766926.db2.gz IVBAYDBQULKBPR-BZUAXINKSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068901433 1216766934 /nfs/dbraw/zinc/76/69/34/1216766934.db2.gz IVBAYDBQULKBPR-BZUAXINKSA-N 2 1 366.506 0.153 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248361 1225694474 /nfs/dbraw/zinc/69/44/74/1225694474.db2.gz JFQUQPKHMKMYOC-BPQIPLTHSA-N 2 1 371.522 0.179 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001223361320 1225701360 /nfs/dbraw/zinc/70/13/60/1225701360.db2.gz HCAWRGBMKJEBBR-PVAVHDDUSA-N 2 1 365.474 0.885 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001223361320 1225701363 /nfs/dbraw/zinc/70/13/63/1225701363.db2.gz HCAWRGBMKJEBBR-PVAVHDDUSA-N 2 1 365.474 0.885 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001070025650 1216904699 /nfs/dbraw/zinc/90/46/99/1216904699.db2.gz BVKXCFTXCWLMFN-NXHRZFHOSA-N 2 1 369.473 0.797 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001070025650 1216904701 /nfs/dbraw/zinc/90/47/01/1216904701.db2.gz BVKXCFTXCWLMFN-NXHRZFHOSA-N 2 1 369.473 0.797 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)CC1 ZINC001223387810 1225701977 /nfs/dbraw/zinc/70/19/77/1225701977.db2.gz OHFJVZMXBCOACY-WBVHZDCISA-N 2 1 362.518 0.777 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046575 1216921029 /nfs/dbraw/zinc/92/10/29/1216921029.db2.gz FCXZVUHHYZPQSM-UAGQMJEPSA-N 2 1 364.494 0.386 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393660 1225703134 /nfs/dbraw/zinc/70/31/34/1225703134.db2.gz QYOPWNFSCSFYPV-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223499963 1225710673 /nfs/dbraw/zinc/71/06/73/1225710673.db2.gz OXIURJUZJIJKPX-JZXOWHBKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223499963 1225710677 /nfs/dbraw/zinc/71/06/77/1225710677.db2.gz OXIURJUZJIJKPX-JZXOWHBKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223499963 1225710680 /nfs/dbraw/zinc/71/06/80/1225710680.db2.gz OXIURJUZJIJKPX-JZXOWHBKSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001041252754 1217256217 /nfs/dbraw/zinc/25/62/17/1217256217.db2.gz ZJNBTTNWOYRYMX-NUJGCVRESA-N 2 1 359.474 0.634 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223727037 1225730486 /nfs/dbraw/zinc/73/04/86/1225730486.db2.gz UPWNIRXURRLUMK-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223838934 1225740272 /nfs/dbraw/zinc/74/02/72/1225740272.db2.gz NTQFQTZNTQKNMK-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223838934 1225740277 /nfs/dbraw/zinc/74/02/77/1225740277.db2.gz NTQFQTZNTQKNMK-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223838934 1225740281 /nfs/dbraw/zinc/74/02/81/1225740281.db2.gz NTQFQTZNTQKNMK-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223838934 1225740285 /nfs/dbraw/zinc/74/02/85/1225740285.db2.gz NTQFQTZNTQKNMK-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)nc(C)[nH+]1 ZINC001043729838 1217721156 /nfs/dbraw/zinc/72/11/56/1217721156.db2.gz ALPZRBCFBZYWIV-DLBZAZTESA-N 2 1 359.474 0.851 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)nc(C)[nH+]1 ZINC001043812944 1217752294 /nfs/dbraw/zinc/75/22/94/1217752294.db2.gz PBCIPYLOTQZHCZ-DLBZAZTESA-N 2 1 359.474 0.994 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)nc(C)[nH+]1 ZINC001043812944 1217752298 /nfs/dbraw/zinc/75/22/98/1217752298.db2.gz PBCIPYLOTQZHCZ-DLBZAZTESA-N 2 1 359.474 0.994 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246082 1225767900 /nfs/dbraw/zinc/76/79/00/1225767900.db2.gz UEASENZNZJVJPE-SQNIBIBYSA-N 2 1 371.522 0.273 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246082 1225767906 /nfs/dbraw/zinc/76/79/06/1225767906.db2.gz UEASENZNZJVJPE-SQNIBIBYSA-N 2 1 371.522 0.273 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246082 1225767909 /nfs/dbraw/zinc/76/79/09/1225767909.db2.gz UEASENZNZJVJPE-SQNIBIBYSA-N 2 1 371.522 0.273 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276961145 1225771001 /nfs/dbraw/zinc/77/10/01/1225771001.db2.gz ZJZFRSLROQJCEQ-AZUAARDMSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961145 1225771007 /nfs/dbraw/zinc/77/10/07/1225771007.db2.gz ZJZFRSLROQJCEQ-AZUAARDMSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276961145 1225771010 /nfs/dbraw/zinc/77/10/10/1225771010.db2.gz ZJZFRSLROQJCEQ-AZUAARDMSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001045445037 1217929895 /nfs/dbraw/zinc/92/98/95/1217929895.db2.gz QAUGSDVAIDRATH-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](CCNC(=O)c1cnc(C(=O)NCC[N@H+](C)C2CC2)cn1)C1CC1 ZINC000900367867 1217983294 /nfs/dbraw/zinc/98/32/94/1217983294.db2.gz XGASTJWIFGRRAP-UHFFFAOYSA-N 2 1 360.462 0.125 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCC4CC4)C3)CC2)O1 ZINC001046039476 1217988966 /nfs/dbraw/zinc/98/89/66/1217988966.db2.gz ZKQLEOWNBSZLCJ-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCC4CC4)C3)CC2)O1 ZINC001046039476 1217988969 /nfs/dbraw/zinc/98/89/69/1217988969.db2.gz ZKQLEOWNBSZLCJ-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCC4CC4)C3)CC2)O1 ZINC001046039476 1217988973 /nfs/dbraw/zinc/98/89/73/1217988973.db2.gz ZKQLEOWNBSZLCJ-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCC4CC4)C3)CC2)O1 ZINC001046039476 1217988976 /nfs/dbraw/zinc/98/89/76/1217988976.db2.gz ZKQLEOWNBSZLCJ-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCC4CC4)C3)CC2)O1 ZINC001046039476 1217988982 /nfs/dbraw/zinc/98/89/82/1217988982.db2.gz ZKQLEOWNBSZLCJ-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000900586888 1218009211 /nfs/dbraw/zinc/00/92/11/1218009211.db2.gz SGXSOXKABAZSHZ-DLBZAZTESA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000900586888 1218009217 /nfs/dbraw/zinc/00/92/17/1218009217.db2.gz SGXSOXKABAZSHZ-DLBZAZTESA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000900586889 1218009509 /nfs/dbraw/zinc/00/95/09/1218009509.db2.gz SGXSOXKABAZSHZ-IAGOWNOFSA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000900586889 1218009514 /nfs/dbraw/zinc/00/95/14/1218009514.db2.gz SGXSOXKABAZSHZ-IAGOWNOFSA-N 2 1 369.506 0.831 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000900693426 1218025446 /nfs/dbraw/zinc/02/54/46/1218025446.db2.gz RYBXRXHDTQHCFZ-UHFFFAOYSA-N 2 1 367.582 0.887 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC1 ZINC001096104407 1218045947 /nfs/dbraw/zinc/04/59/47/1218045947.db2.gz IDLPUICIOYDNNI-IKGGRYGDSA-N 2 1 363.506 0.465 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000901067089 1218073153 /nfs/dbraw/zinc/07/31/53/1218073153.db2.gz HWICRXKGGOYJCZ-GOSISDBHSA-N 2 1 371.485 0.594 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000901319090 1218112132 /nfs/dbraw/zinc/11/21/32/1218112132.db2.gz UWMPEKPTOPUGDW-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000901319090 1218112136 /nfs/dbraw/zinc/11/21/36/1218112136.db2.gz UWMPEKPTOPUGDW-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1cc(N2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001096305735 1218231219 /nfs/dbraw/zinc/23/12/19/1218231219.db2.gz JQWOLGJRFFFPDY-NVXWUHKLSA-N 2 1 360.506 0.672 20 0 FCADMP Cc1cc(N2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001096305735 1218231223 /nfs/dbraw/zinc/23/12/23/1218231223.db2.gz JQWOLGJRFFFPDY-NVXWUHKLSA-N 2 1 360.506 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H]4CCc5ncnn54)C[C@@H]3C2)CC[N@H+]1C ZINC001048829136 1218322353 /nfs/dbraw/zinc/32/23/53/1218322353.db2.gz IMAOPJQQHCHCTD-NQNKBUKLSA-N 2 1 358.490 0.496 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCc5ncnn54)C[C@@H]3C2)CC[NH+]1C ZINC001048829136 1218322362 /nfs/dbraw/zinc/32/23/62/1218322362.db2.gz IMAOPJQQHCHCTD-NQNKBUKLSA-N 2 1 358.490 0.496 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@@H]3C2)CC[NH+]1C ZINC001048829136 1218322368 /nfs/dbraw/zinc/32/23/68/1218322368.db2.gz IMAOPJQQHCHCTD-NQNKBUKLSA-N 2 1 358.490 0.496 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001225526157 1225814937 /nfs/dbraw/zinc/81/49/37/1225814937.db2.gz YGGLPKLVJCLEKP-OAGGEKHMSA-N 2 1 368.522 0.496 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001225526157 1225814941 /nfs/dbraw/zinc/81/49/41/1225814941.db2.gz YGGLPKLVJCLEKP-OAGGEKHMSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507114 1218431317 /nfs/dbraw/zinc/43/13/17/1218431317.db2.gz NLHYGVQKAZLCHH-YUELXQCFSA-N 2 1 360.510 0.481 20 0 FCADMP O=C(CN1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903734349 1218510847 /nfs/dbraw/zinc/51/08/47/1218510847.db2.gz XSHRVPIKKVWBHT-GOSISDBHSA-N 2 1 364.534 0.775 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734081 1218511125 /nfs/dbraw/zinc/51/11/25/1218511125.db2.gz UUTXSDVNXZZXAO-QWFCFKBJSA-N 2 1 364.534 0.774 20 0 FCADMP NC(=O)c1cccnc1N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733711 1218511501 /nfs/dbraw/zinc/51/15/01/1218511501.db2.gz PDQDYTWUZFYMKF-HNNXBMFYSA-N 2 1 359.474 0.461 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001097079659 1218683385 /nfs/dbraw/zinc/68/33/85/1218683385.db2.gz MOCPZYKGGJKALS-TVFCKZIOSA-N 2 1 360.502 0.672 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCOC2)n1 ZINC001097095953 1218687381 /nfs/dbraw/zinc/68/73/81/1218687381.db2.gz ZICXCOHLKXBCQN-AHCXZYCDSA-N 2 1 361.490 0.816 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097177018 1218710292 /nfs/dbraw/zinc/71/02/92/1218710292.db2.gz FVTSWKYXWCDVOB-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097177018 1218710295 /nfs/dbraw/zinc/71/02/95/1218710295.db2.gz FVTSWKYXWCDVOB-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001097177018 1218710298 /nfs/dbraw/zinc/71/02/98/1218710298.db2.gz FVTSWKYXWCDVOB-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097177018 1218710300 /nfs/dbraw/zinc/71/03/00/1218710300.db2.gz FVTSWKYXWCDVOB-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097210271 1218720583 /nfs/dbraw/zinc/72/05/83/1218720583.db2.gz SVBHCLULYVLYMA-MLHJIOFPSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)C1 ZINC001097210271 1218720587 /nfs/dbraw/zinc/72/05/87/1218720587.db2.gz SVBHCLULYVLYMA-MLHJIOFPSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)C1 ZINC001097210271 1218720590 /nfs/dbraw/zinc/72/05/90/1218720590.db2.gz SVBHCLULYVLYMA-MLHJIOFPSA-N 2 1 360.506 0.978 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001097551126 1218820527 /nfs/dbraw/zinc/82/05/27/1218820527.db2.gz ZJJSIDVJCYDFFG-HZMVEIRTSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001097551126 1218820529 /nfs/dbraw/zinc/82/05/29/1218820529.db2.gz ZJJSIDVJCYDFFG-HZMVEIRTSA-N 2 1 359.474 0.829 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001226613426 1225849033 /nfs/dbraw/zinc/84/90/33/1225849033.db2.gz HOISGQLJPNGNPF-KFWWJZLASA-N 2 1 367.494 0.333 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851613 1218851404 /nfs/dbraw/zinc/85/14/04/1218851404.db2.gz GXEPCMPJMOOVCZ-DDBAPUKQSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851613 1218851406 /nfs/dbraw/zinc/85/14/06/1218851406.db2.gz GXEPCMPJMOOVCZ-DDBAPUKQSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001097851613 1218851409 /nfs/dbraw/zinc/85/14/09/1218851409.db2.gz GXEPCMPJMOOVCZ-DDBAPUKQSA-N 2 1 358.486 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CCN(CCO)CC2)CC[N@H+]1C ZINC001052990078 1218870188 /nfs/dbraw/zinc/87/01/88/1218870188.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 2 1 364.534 0.459 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CCO)CC2)CC[NH+]1C ZINC001052990078 1218870191 /nfs/dbraw/zinc/87/01/91/1218870191.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 2 1 364.534 0.459 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CCO)CC2)CC[NH+]1C ZINC001052990078 1218870193 /nfs/dbraw/zinc/87/01/93/1218870193.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 2 1 364.534 0.459 20 0 FCADMP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)nc1=O ZINC001226889724 1225857344 /nfs/dbraw/zinc/85/73/44/1225857344.db2.gz BFBRVOIZLBBKRM-RRFJBIMHSA-N 2 1 364.494 0.500 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001097976014 1219000764 /nfs/dbraw/zinc/00/07/64/1219000764.db2.gz OLZQOJSTPFZZSQ-LVQVYYBASA-N 2 1 362.474 0.245 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001097976014 1219000770 /nfs/dbraw/zinc/00/07/70/1219000770.db2.gz OLZQOJSTPFZZSQ-LVQVYYBASA-N 2 1 362.474 0.245 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)O1 ZINC001227028578 1225861144 /nfs/dbraw/zinc/86/11/44/1225861144.db2.gz IPGXXIIKTBFAQZ-KLHDSHLOSA-N 2 1 368.522 0.637 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)O1 ZINC001227028578 1225861145 /nfs/dbraw/zinc/86/11/45/1225861145.db2.gz IPGXXIIKTBFAQZ-KLHDSHLOSA-N 2 1 368.522 0.637 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804051827 1219105117 /nfs/dbraw/zinc/10/51/17/1219105117.db2.gz VUVNAEAGPCRINK-IXDOHACOSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804051827 1219105122 /nfs/dbraw/zinc/10/51/22/1219105122.db2.gz VUVNAEAGPCRINK-IXDOHACOSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804051827 1219105127 /nfs/dbraw/zinc/10/51/27/1219105127.db2.gz VUVNAEAGPCRINK-IXDOHACOSA-N 2 1 366.506 0.060 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000804058139 1219111806 /nfs/dbraw/zinc/11/18/06/1219111806.db2.gz SZBIUWBOELAWBT-GVDBMIGSSA-N 2 1 364.490 0.053 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057410 1219112515 /nfs/dbraw/zinc/11/25/15/1219112515.db2.gz PKMXNGKIKUSYCS-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804057410 1219112516 /nfs/dbraw/zinc/11/25/16/1219112516.db2.gz PKMXNGKIKUSYCS-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804057410 1219112518 /nfs/dbraw/zinc/11/25/18/1219112518.db2.gz PKMXNGKIKUSYCS-BBWFWOEESA-N 2 1 366.506 0.156 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059496 1219115152 /nfs/dbraw/zinc/11/51/52/1219115152.db2.gz IUNNTWTYGONNEJ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059496 1219115155 /nfs/dbraw/zinc/11/51/55/1219115155.db2.gz IUNNTWTYGONNEJ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059496 1219115158 /nfs/dbraw/zinc/11/51/58/1219115158.db2.gz IUNNTWTYGONNEJ-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061660 1219116257 /nfs/dbraw/zinc/11/62/57/1219116257.db2.gz WBENAPOVEMYVES-JYJNAYRXSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061660 1219116259 /nfs/dbraw/zinc/11/62/59/1219116259.db2.gz WBENAPOVEMYVES-JYJNAYRXSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061172 1219118448 /nfs/dbraw/zinc/11/84/48/1219118448.db2.gz RURNQRWAGRSWHE-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077908 1219147015 /nfs/dbraw/zinc/14/70/15/1219147015.db2.gz QEDBDZGPLFVNHM-MSOLQXFVSA-N 2 1 366.469 0.916 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077908 1219147017 /nfs/dbraw/zinc/14/70/17/1219147017.db2.gz QEDBDZGPLFVNHM-MSOLQXFVSA-N 2 1 366.469 0.916 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097221 1219169492 /nfs/dbraw/zinc/16/94/92/1219169492.db2.gz HSURIRXMZBTYOU-ZNMIVQPWSA-N 2 1 368.432 0.617 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097221 1219169497 /nfs/dbraw/zinc/16/94/97/1219169497.db2.gz HSURIRXMZBTYOU-ZNMIVQPWSA-N 2 1 368.432 0.617 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097221 1219169501 /nfs/dbraw/zinc/16/95/01/1219169501.db2.gz HSURIRXMZBTYOU-ZNMIVQPWSA-N 2 1 368.432 0.617 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070098904 1219171747 /nfs/dbraw/zinc/17/17/47/1219171747.db2.gz YNADMHNTZCIHPY-ZACQAIPSSA-N 2 1 362.478 0.142 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070098904 1219171751 /nfs/dbraw/zinc/17/17/51/1219171751.db2.gz YNADMHNTZCIHPY-ZACQAIPSSA-N 2 1 362.478 0.142 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443468 1225874805 /nfs/dbraw/zinc/87/48/05/1225874805.db2.gz KWEDRNKVBPIDFL-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443468 1225874807 /nfs/dbraw/zinc/87/48/07/1225874807.db2.gz KWEDRNKVBPIDFL-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070133791 1219209424 /nfs/dbraw/zinc/20/94/24/1219209424.db2.gz OXQXZFPAHFHYSW-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070133791 1219209430 /nfs/dbraw/zinc/20/94/30/1219209430.db2.gz OXQXZFPAHFHYSW-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070133791 1219209441 /nfs/dbraw/zinc/20/94/41/1219209441.db2.gz OXQXZFPAHFHYSW-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525253 1225878102 /nfs/dbraw/zinc/87/81/02/1225878102.db2.gz QOVWRLBAULTEQM-ZIAGYGMSSA-N 2 1 364.450 0.054 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070158575 1219245006 /nfs/dbraw/zinc/24/50/06/1219245006.db2.gz QAIVAZMSCOTJJL-ZACQAIPSSA-N 2 1 355.446 0.309 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070158575 1219245010 /nfs/dbraw/zinc/24/50/10/1219245010.db2.gz QAIVAZMSCOTJJL-ZACQAIPSSA-N 2 1 355.446 0.309 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227524571 1225878424 /nfs/dbraw/zinc/87/84/24/1225878424.db2.gz ALGPFCUWNQHYDE-MGPQQGTHSA-N 2 1 364.450 0.053 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCC[NH+](C)C)CCOCC2)CC[N@H+]1C ZINC001070223123 1219304466 /nfs/dbraw/zinc/30/44/66/1219304466.db2.gz BLYOZCZAQGRXNE-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070234938 1219311229 /nfs/dbraw/zinc/31/12/29/1219311229.db2.gz PEXQHSVKGCNVJU-AEFFLSMTSA-N 2 1 369.473 0.805 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070250443 1219320147 /nfs/dbraw/zinc/32/01/47/1219320147.db2.gz OTCQNZDLINRKHV-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070250443 1219320158 /nfs/dbraw/zinc/32/01/58/1219320158.db2.gz OTCQNZDLINRKHV-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070250443 1219320162 /nfs/dbraw/zinc/32/01/62/1219320162.db2.gz OTCQNZDLINRKHV-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070309855 1219367487 /nfs/dbraw/zinc/36/74/87/1219367487.db2.gz GMDHRLNSXFSULO-JQHSSLGASA-N 2 1 369.473 0.557 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070309855 1219367489 /nfs/dbraw/zinc/36/74/89/1219367489.db2.gz GMDHRLNSXFSULO-JQHSSLGASA-N 2 1 369.473 0.557 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327252 1219378595 /nfs/dbraw/zinc/37/85/95/1219378595.db2.gz ZMVDAINPLAXSPM-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327252 1219378601 /nfs/dbraw/zinc/37/86/01/1219378601.db2.gz ZMVDAINPLAXSPM-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC001070355449 1219392521 /nfs/dbraw/zinc/39/25/21/1219392521.db2.gz AWKYANMPNUAIBD-AJNGGQMLSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001070355449 1219392525 /nfs/dbraw/zinc/39/25/25/1219392525.db2.gz AWKYANMPNUAIBD-AJNGGQMLSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001070355449 1219392529 /nfs/dbraw/zinc/39/25/29/1219392529.db2.gz AWKYANMPNUAIBD-AJNGGQMLSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001070355449 1219392534 /nfs/dbraw/zinc/39/25/34/1219392534.db2.gz AWKYANMPNUAIBD-AJNGGQMLSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001070355449 1219392541 /nfs/dbraw/zinc/39/25/41/1219392541.db2.gz AWKYANMPNUAIBD-AJNGGQMLSA-N 2 1 364.494 0.633 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515686 1219448904 /nfs/dbraw/zinc/44/89/04/1219448904.db2.gz QAHSGOBMHULZOO-SYPMSLAUSA-N 2 1 359.474 0.187 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001277276521 1225898640 /nfs/dbraw/zinc/89/86/40/1225898640.db2.gz CNTDZQPBSYJHIV-IBGZPJMESA-N 2 1 360.458 0.854 20 0 FCADMP CC[C@@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972680 1219585781 /nfs/dbraw/zinc/58/57/81/1219585781.db2.gz GGHHBNYKTZIKRS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972680 1219585784 /nfs/dbraw/zinc/58/57/84/1219585784.db2.gz GGHHBNYKTZIKRS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972680 1219585789 /nfs/dbraw/zinc/58/57/89/1219585789.db2.gz GGHHBNYKTZIKRS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972680 1219585795 /nfs/dbraw/zinc/58/57/95/1219585795.db2.gz GGHHBNYKTZIKRS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746582 1219621058 /nfs/dbraw/zinc/62/10/58/1219621058.db2.gz VIPUJCLDVUKFDM-NXHRZFHOSA-N 2 1 365.518 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)C2CC2)C3)CC[N@H+]1C ZINC001072755073 1219621769 /nfs/dbraw/zinc/62/17/69/1219621769.db2.gz RCLUSAXDJXEMSC-DLBZAZTESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C2CC2)C3)CC[NH+]1C ZINC001072755073 1219621774 /nfs/dbraw/zinc/62/17/74/1219621774.db2.gz RCLUSAXDJXEMSC-DLBZAZTESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)C2CC2)C3)CC[NH+]1C ZINC001072755073 1219621781 /nfs/dbraw/zinc/62/17/81/1219621781.db2.gz RCLUSAXDJXEMSC-DLBZAZTESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCc4ncnn42)C3)CC[N@H+]1C ZINC001072752737 1219622078 /nfs/dbraw/zinc/62/20/78/1219622078.db2.gz ZBBJXWFRVDIEOL-OWCLPIDISA-N 2 1 358.490 0.640 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCc4ncnn42)C3)CC[NH+]1C ZINC001072752737 1219622083 /nfs/dbraw/zinc/62/20/83/1219622083.db2.gz ZBBJXWFRVDIEOL-OWCLPIDISA-N 2 1 358.490 0.640 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCc4ncnn42)C3)CC[NH+]1C ZINC001072752737 1219622085 /nfs/dbraw/zinc/62/20/85/1219622085.db2.gz ZBBJXWFRVDIEOL-OWCLPIDISA-N 2 1 358.490 0.640 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001073222928 1219643914 /nfs/dbraw/zinc/64/39/14/1219643914.db2.gz BXXQLZQCQFLBRW-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001073222928 1219643917 /nfs/dbraw/zinc/64/39/17/1219643917.db2.gz BXXQLZQCQFLBRW-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCn3cccn3)CCCO2)CC[N@H+]1C ZINC001073605842 1219671883 /nfs/dbraw/zinc/67/18/83/1219671883.db2.gz WKPBWTWFDMOKSO-OKZBNKHCSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCn3cccn3)CCCO2)CC[NH+]1C ZINC001073605842 1219671887 /nfs/dbraw/zinc/67/18/87/1219671887.db2.gz WKPBWTWFDMOKSO-OKZBNKHCSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)CCCO2)CC[NH+]1C ZINC001073605842 1219671889 /nfs/dbraw/zinc/67/18/89/1219671889.db2.gz WKPBWTWFDMOKSO-OKZBNKHCSA-N 2 1 363.506 0.821 20 0 FCADMP Cc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001073610788 1219673106 /nfs/dbraw/zinc/67/31/06/1219673106.db2.gz DEUZGABHSHAMFS-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC001073610788 1219673107 /nfs/dbraw/zinc/67/31/07/1219673107.db2.gz DEUZGABHSHAMFS-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ncn1 ZINC001073610788 1219673112 /nfs/dbraw/zinc/67/31/12/1219673112.db2.gz DEUZGABHSHAMFS-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ncn1 ZINC001073610788 1219673113 /nfs/dbraw/zinc/67/31/13/1219673113.db2.gz DEUZGABHSHAMFS-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N(C)C3CC3)CCCO2)CC[N@@H+]1C ZINC001073611407 1219673915 /nfs/dbraw/zinc/67/39/15/1219673915.db2.gz WHCCRKZZDTZMGL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N(C)C3CC3)CCCO2)CC[N@H+]1C ZINC001073611407 1219673918 /nfs/dbraw/zinc/67/39/18/1219673918.db2.gz WHCCRKZZDTZMGL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)CCCO2)CC[NH+]1C ZINC001073611407 1219673924 /nfs/dbraw/zinc/67/39/24/1219673924.db2.gz WHCCRKZZDTZMGL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)CCCO2)CC[NH+]1C ZINC001073611407 1219673926 /nfs/dbraw/zinc/67/39/26/1219673926.db2.gz WHCCRKZZDTZMGL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001098219908 1219743329 /nfs/dbraw/zinc/74/33/29/1219743329.db2.gz XGCRAVIJLUJBTI-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001098219908 1219743333 /nfs/dbraw/zinc/74/33/33/1219743333.db2.gz XGCRAVIJLUJBTI-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001098219908 1219743338 /nfs/dbraw/zinc/74/33/38/1219743338.db2.gz XGCRAVIJLUJBTI-JJXSEGSLSA-N 2 1 362.474 0.199 20 0 FCADMP COCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098609410 1219805418 /nfs/dbraw/zinc/80/54/18/1219805418.db2.gz BHRKTBPLKHQPLV-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP COCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098609410 1219805420 /nfs/dbraw/zinc/80/54/20/1219805420.db2.gz BHRKTBPLKHQPLV-BRWVUGGUSA-N 2 1 369.506 0.434 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001098755242 1219820463 /nfs/dbraw/zinc/82/04/63/1219820463.db2.gz WCWINDQBMVMQRG-KHYOSLBOSA-N 2 1 362.474 0.200 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CC2)C3)CC[N@H+]1C ZINC001098846403 1219839622 /nfs/dbraw/zinc/83/96/22/1219839622.db2.gz HQPORXNJPDWNCW-REGYPHIPSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001098846403 1219839625 /nfs/dbraw/zinc/83/96/25/1219839625.db2.gz HQPORXNJPDWNCW-REGYPHIPSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CC2)C3)CC[NH+]1C ZINC001098846403 1219839627 /nfs/dbraw/zinc/83/96/27/1219839627.db2.gz HQPORXNJPDWNCW-REGYPHIPSA-N 2 1 362.518 0.966 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098945810 1219871870 /nfs/dbraw/zinc/87/18/70/1219871870.db2.gz KWGKQGXUZFUSDI-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098945810 1219871874 /nfs/dbraw/zinc/87/18/74/1219871874.db2.gz KWGKQGXUZFUSDI-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)CC1 ZINC001099063203 1219898456 /nfs/dbraw/zinc/89/84/56/1219898456.db2.gz SSAVBMZTSFHKLC-HKUYNNGSSA-N 2 1 360.506 0.981 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001099120734 1219920013 /nfs/dbraw/zinc/92/00/13/1219920013.db2.gz HWVJKZDYPOECDQ-UWJYYQICSA-N 2 1 370.497 0.952 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122871 1219921613 /nfs/dbraw/zinc/92/16/13/1219921613.db2.gz IPKBAJRLQHVFRY-KXBFYZLASA-N 2 1 361.490 0.078 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099162997 1219937804 /nfs/dbraw/zinc/93/78/04/1219937804.db2.gz GXCJUKABZVBHIJ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099162997 1219937808 /nfs/dbraw/zinc/93/78/08/1219937808.db2.gz GXCJUKABZVBHIJ-FCEWJHQRSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001228603221 1225935241 /nfs/dbraw/zinc/93/52/41/1225935241.db2.gz PDPSECGROWOFKF-RRFJBIMHSA-N 2 1 363.462 0.972 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnn(C)n3)C2)C1 ZINC001099500563 1220016597 /nfs/dbraw/zinc/01/65/97/1220016597.db2.gz WAAHVEOYNGDRTE-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)n1 ZINC001099526358 1220023788 /nfs/dbraw/zinc/02/37/88/1220023788.db2.gz LHHDPUSPDFZXJH-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267362 1220256355 /nfs/dbraw/zinc/25/63/55/1220256355.db2.gz AXGYEWQLWIQDFN-POAQFYNOSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277587 1220263720 /nfs/dbraw/zinc/26/37/20/1220263720.db2.gz OMBGTYWJEGUVDA-NNFUDEMPSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277587 1220263723 /nfs/dbraw/zinc/26/37/23/1220263723.db2.gz OMBGTYWJEGUVDA-NNFUDEMPSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277587 1220263728 /nfs/dbraw/zinc/26/37/28/1220263728.db2.gz OMBGTYWJEGUVDA-NNFUDEMPSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277587 1220263731 /nfs/dbraw/zinc/26/37/31/1220263731.db2.gz OMBGTYWJEGUVDA-NNFUDEMPSA-N 2 1 366.506 0.010 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101285931 1220267957 /nfs/dbraw/zinc/26/79/57/1220267957.db2.gz BIWNGOZBSCIPAI-GLJUWKHASA-N 2 1 366.462 0.137 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101285931 1220267962 /nfs/dbraw/zinc/26/79/62/1220267962.db2.gz BIWNGOZBSCIPAI-GLJUWKHASA-N 2 1 366.462 0.137 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299286 1220276149 /nfs/dbraw/zinc/27/61/49/1220276149.db2.gz QFXHFGKTJWGXAA-AYBZRNKSSA-N 2 1 358.442 0.736 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@@]2(C)C1 ZINC001101351049 1220297802 /nfs/dbraw/zinc/29/78/02/1220297802.db2.gz RAXCEVSXEYWWBE-BEFAXECRSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101418494 1220333106 /nfs/dbraw/zinc/33/31/06/1220333106.db2.gz UYSWZDPHYGTJPJ-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101418494 1220333109 /nfs/dbraw/zinc/33/31/09/1220333109.db2.gz UYSWZDPHYGTJPJ-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101418494 1220333114 /nfs/dbraw/zinc/33/31/14/1220333114.db2.gz UYSWZDPHYGTJPJ-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429928 1220340146 /nfs/dbraw/zinc/34/01/46/1220340146.db2.gz GVDCBFBPHWIMHH-QKLQHJQFSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429928 1220340150 /nfs/dbraw/zinc/34/01/50/1220340150.db2.gz GVDCBFBPHWIMHH-QKLQHJQFSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429928 1220340154 /nfs/dbraw/zinc/34/01/54/1220340154.db2.gz GVDCBFBPHWIMHH-QKLQHJQFSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101476070 1220366858 /nfs/dbraw/zinc/36/68/58/1220366858.db2.gz BATPYPQIOVNCDG-BEFAXECRSA-N 2 1 364.490 0.256 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101476070 1220366861 /nfs/dbraw/zinc/36/68/61/1220366861.db2.gz BATPYPQIOVNCDG-BEFAXECRSA-N 2 1 364.490 0.256 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101476070 1220366866 /nfs/dbraw/zinc/36/68/66/1220366866.db2.gz BATPYPQIOVNCDG-BEFAXECRSA-N 2 1 364.490 0.256 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487049 1220371083 /nfs/dbraw/zinc/37/10/83/1220371083.db2.gz LHZKUNVYEFCEDH-MDYRTPRTSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487049 1220371088 /nfs/dbraw/zinc/37/10/88/1220371088.db2.gz LHZKUNVYEFCEDH-MDYRTPRTSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487049 1220371095 /nfs/dbraw/zinc/37/10/95/1220371095.db2.gz LHZKUNVYEFCEDH-MDYRTPRTSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487049 1220371096 /nfs/dbraw/zinc/37/10/96/1220371096.db2.gz LHZKUNVYEFCEDH-MDYRTPRTSA-N 2 1 358.486 0.773 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013192 1220461511 /nfs/dbraw/zinc/46/15/11/1220461511.db2.gz OUEYQBUDRXVBDS-INMHGKMJSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046328 1220476846 /nfs/dbraw/zinc/47/68/46/1220476846.db2.gz YQXLCKQWYSUXDD-OAGGEKHMSA-N 2 1 360.506 0.934 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048734 1220477307 /nfs/dbraw/zinc/47/73/07/1220477307.db2.gz NARQRGNYPYQEKB-DJIMGWMZSA-N 2 1 367.538 0.718 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047339 1220477369 /nfs/dbraw/zinc/47/73/69/1220477369.db2.gz CNUGEXYAMSPDOC-KYJSFNMBSA-N 2 1 368.522 0.163 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051889 1220479424 /nfs/dbraw/zinc/47/94/24/1220479424.db2.gz ROKLVZZSXKTXGD-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051889 1220479426 /nfs/dbraw/zinc/47/94/26/1220479426.db2.gz ROKLVZZSXKTXGD-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051889 1220479430 /nfs/dbraw/zinc/47/94/30/1220479430.db2.gz ROKLVZZSXKTXGD-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090755 1220492981 /nfs/dbraw/zinc/49/29/81/1220492981.db2.gz BYSYTFCILRAEBH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090755 1220492983 /nfs/dbraw/zinc/49/29/83/1220492983.db2.gz BYSYTFCILRAEBH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090755 1220492985 /nfs/dbraw/zinc/49/29/85/1220492985.db2.gz BYSYTFCILRAEBH-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091013 1220493239 /nfs/dbraw/zinc/49/32/39/1220493239.db2.gz NRKYPGNRRAZKBS-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091013 1220493241 /nfs/dbraw/zinc/49/32/41/1220493241.db2.gz NRKYPGNRRAZKBS-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091013 1220493244 /nfs/dbraw/zinc/49/32/44/1220493244.db2.gz NRKYPGNRRAZKBS-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091079 1220493310 /nfs/dbraw/zinc/49/33/10/1220493310.db2.gz QSQIQIVRIYHKKT-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091079 1220493311 /nfs/dbraw/zinc/49/33/11/1220493311.db2.gz QSQIQIVRIYHKKT-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091079 1220493313 /nfs/dbraw/zinc/49/33/13/1220493313.db2.gz QSQIQIVRIYHKKT-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102157990 1220529666 /nfs/dbraw/zinc/52/96/66/1220529666.db2.gz YGTUBUXNWPRUJS-OIISXLGYSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102157990 1220529674 /nfs/dbraw/zinc/52/96/74/1220529674.db2.gz YGTUBUXNWPRUJS-OIISXLGYSA-N 2 1 361.490 0.885 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171266 1220532528 /nfs/dbraw/zinc/53/25/28/1220532528.db2.gz OYWMIQMQTAAPLM-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP COCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171266 1220532539 /nfs/dbraw/zinc/53/25/39/1220532539.db2.gz OYWMIQMQTAAPLM-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP COCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171266 1220532549 /nfs/dbraw/zinc/53/25/49/1220532549.db2.gz OYWMIQMQTAAPLM-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001229037205 1225974140 /nfs/dbraw/zinc/97/41/40/1225974140.db2.gz HTZWNIYBOAMSHZ-MRVWCRGKSA-N 2 1 364.450 0.061 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292184 1220576663 /nfs/dbraw/zinc/57/66/63/1220576663.db2.gz CABMNNRHWAQBAR-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294039 1220577425 /nfs/dbraw/zinc/57/74/25/1220577425.db2.gz FCUSIJQHUMAVBX-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294443 1220577629 /nfs/dbraw/zinc/57/76/29/1220577629.db2.gz YMIOKBITBQQGDH-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295420 1220577937 /nfs/dbraw/zinc/57/79/37/1220577937.db2.gz JEBXKCLOJYCCGF-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320680 1220583105 /nfs/dbraw/zinc/58/31/05/1220583105.db2.gz NWXDRZNLGXBUGS-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)n1C ZINC001102369820 1220596986 /nfs/dbraw/zinc/59/69/86/1220596986.db2.gz HZWXLTFNAPMRKT-ARFHVFGLSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)n1C ZINC001102369820 1220596990 /nfs/dbraw/zinc/59/69/90/1220596990.db2.gz HZWXLTFNAPMRKT-ARFHVFGLSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](C)C2)n1C ZINC001102369820 1220596995 /nfs/dbraw/zinc/59/69/95/1220596995.db2.gz HZWXLTFNAPMRKT-ARFHVFGLSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)n1C ZINC001102369820 1220597000 /nfs/dbraw/zinc/59/70/00/1220597000.db2.gz HZWXLTFNAPMRKT-ARFHVFGLSA-N 2 1 362.522 0.903 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464327 1220636144 /nfs/dbraw/zinc/63/61/44/1220636144.db2.gz RTLUPCZXPGBGDC-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464327 1220636146 /nfs/dbraw/zinc/63/61/46/1220636146.db2.gz RTLUPCZXPGBGDC-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102466916 1220636689 /nfs/dbraw/zinc/63/66/89/1220636689.db2.gz YTNBYTGEOQMJGJ-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102466916 1220636695 /nfs/dbraw/zinc/63/66/95/1220636695.db2.gz YTNBYTGEOQMJGJ-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229136102 1225982176 /nfs/dbraw/zinc/98/21/76/1225982176.db2.gz WUBINNNGXBLRCP-QZTJIDSGSA-N 2 1 371.522 0.515 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488611 1220652430 /nfs/dbraw/zinc/65/24/30/1220652430.db2.gz AYKGLRXSXWRODA-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102496448 1220657306 /nfs/dbraw/zinc/65/73/06/1220657306.db2.gz WHVARWYOSNTQHJ-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102496448 1220657308 /nfs/dbraw/zinc/65/73/08/1220657308.db2.gz WHVARWYOSNTQHJ-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102496448 1220657314 /nfs/dbraw/zinc/65/73/14/1220657314.db2.gz WHVARWYOSNTQHJ-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C(=O)NC1CC1 ZINC001229141333 1225983357 /nfs/dbraw/zinc/98/33/57/1225983357.db2.gz CBXICZPOVCNFTR-USXIJHARSA-N 2 1 366.506 0.393 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141766 1225983760 /nfs/dbraw/zinc/98/37/60/1225983760.db2.gz KMBRLZCZFIHFFA-IAGOWNOFSA-N 2 1 368.522 0.593 20 0 FCADMP CCCc1noc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511283 1220670399 /nfs/dbraw/zinc/67/03/99/1220670399.db2.gz QVMRRTODGQPDBO-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511283 1220670404 /nfs/dbraw/zinc/67/04/04/1220670404.db2.gz QVMRRTODGQPDBO-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513812 1220672556 /nfs/dbraw/zinc/67/25/56/1220672556.db2.gz BYLUFUZSAVUZLP-QLFBSQMISA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513812 1220672558 /nfs/dbraw/zinc/67/25/58/1220672558.db2.gz BYLUFUZSAVUZLP-QLFBSQMISA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513812 1220672561 /nfs/dbraw/zinc/67/25/61/1220672561.db2.gz BYLUFUZSAVUZLP-QLFBSQMISA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513812 1220672564 /nfs/dbraw/zinc/67/25/64/1220672564.db2.gz BYLUFUZSAVUZLP-QLFBSQMISA-N 2 1 364.494 0.662 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524259 1220680747 /nfs/dbraw/zinc/68/07/47/1220680747.db2.gz VHSWIONECULZSP-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524259 1220680749 /nfs/dbraw/zinc/68/07/49/1220680749.db2.gz VHSWIONECULZSP-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524259 1220680752 /nfs/dbraw/zinc/68/07/52/1220680752.db2.gz VHSWIONECULZSP-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102525130 1220681180 /nfs/dbraw/zinc/68/11/80/1220681180.db2.gz MGGOBUVCGQCSTJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102525130 1220681184 /nfs/dbraw/zinc/68/11/84/1220681184.db2.gz MGGOBUVCGQCSTJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102525130 1220681188 /nfs/dbraw/zinc/68/11/88/1220681188.db2.gz MGGOBUVCGQCSTJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102525130 1220681189 /nfs/dbraw/zinc/68/11/89/1220681189.db2.gz MGGOBUVCGQCSTJ-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102595925 1220718198 /nfs/dbraw/zinc/71/81/98/1220718198.db2.gz DNBHFOJNYBQVJG-HUUCEWRRSA-N 2 1 364.494 0.169 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613094 1220732138 /nfs/dbraw/zinc/73/21/38/1220732138.db2.gz LUYYHHWLJJKLBT-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613094 1220732142 /nfs/dbraw/zinc/73/21/42/1220732142.db2.gz LUYYHHWLJJKLBT-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613094 1220732145 /nfs/dbraw/zinc/73/21/45/1220732145.db2.gz LUYYHHWLJJKLBT-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613094 1220732149 /nfs/dbraw/zinc/73/21/49/1220732149.db2.gz LUYYHHWLJJKLBT-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819416 1220792788 /nfs/dbraw/zinc/79/27/88/1220792788.db2.gz SUOLRCPENLNIIS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819416 1220792798 /nfs/dbraw/zinc/79/27/98/1220792798.db2.gz SUOLRCPENLNIIS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819416 1220792804 /nfs/dbraw/zinc/79/28/04/1220792804.db2.gz SUOLRCPENLNIIS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819416 1220792808 /nfs/dbraw/zinc/79/28/08/1220792808.db2.gz SUOLRCPENLNIIS-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994298 1220817475 /nfs/dbraw/zinc/81/74/75/1220817475.db2.gz WMBRLPXMFVQPTK-QGPMSJSTSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103732 1220834170 /nfs/dbraw/zinc/83/41/70/1220834170.db2.gz WVYWCIPKQVNFAA-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103732 1220834173 /nfs/dbraw/zinc/83/41/73/1220834173.db2.gz WVYWCIPKQVNFAA-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103732 1220834174 /nfs/dbraw/zinc/83/41/74/1220834174.db2.gz WVYWCIPKQVNFAA-KFWWJZLASA-N 2 1 367.494 0.130 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111702 1220835343 /nfs/dbraw/zinc/83/53/43/1220835343.db2.gz JSJYDHDQJRBGLS-FMKPAKJESA-N 2 1 369.510 0.102 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136925 1220838669 /nfs/dbraw/zinc/83/86/69/1220838669.db2.gz TXIQBXZCZMPODT-KCYZZUKISA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136925 1220838670 /nfs/dbraw/zinc/83/86/70/1220838670.db2.gz TXIQBXZCZMPODT-KCYZZUKISA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136925 1220838672 /nfs/dbraw/zinc/83/86/72/1220838672.db2.gz TXIQBXZCZMPODT-KCYZZUKISA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136925 1220838674 /nfs/dbraw/zinc/83/86/74/1220838674.db2.gz TXIQBXZCZMPODT-KCYZZUKISA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308597 1220864543 /nfs/dbraw/zinc/86/45/43/1220864543.db2.gz AKYFNSPYZSDMKX-HUUCEWRRSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308597 1220864547 /nfs/dbraw/zinc/86/45/47/1220864547.db2.gz AKYFNSPYZSDMKX-HUUCEWRRSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103367681 1220872265 /nfs/dbraw/zinc/87/22/65/1220872265.db2.gz DKMAZZWXUAMTLP-FXUDXRNXSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103367681 1220872267 /nfs/dbraw/zinc/87/22/67/1220872267.db2.gz DKMAZZWXUAMTLP-FXUDXRNXSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001103367681 1220872268 /nfs/dbraw/zinc/87/22/68/1220872268.db2.gz DKMAZZWXUAMTLP-FXUDXRNXSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001103367681 1220872270 /nfs/dbraw/zinc/87/22/70/1220872270.db2.gz DKMAZZWXUAMTLP-FXUDXRNXSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398412 1220877347 /nfs/dbraw/zinc/87/73/47/1220877347.db2.gz RHIDIDGTAWADPI-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001103408743 1220878190 /nfs/dbraw/zinc/87/81/90/1220878190.db2.gz RMXXVGQWYINTKI-BRWVUGGUSA-N 2 1 367.538 0.672 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434148 1220882423 /nfs/dbraw/zinc/88/24/23/1220882423.db2.gz ROMFDQRJMROLCW-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434148 1220882424 /nfs/dbraw/zinc/88/24/24/1220882424.db2.gz ROMFDQRJMROLCW-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434148 1220882425 /nfs/dbraw/zinc/88/24/25/1220882425.db2.gz ROMFDQRJMROLCW-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103434337 1220882794 /nfs/dbraw/zinc/88/27/94/1220882794.db2.gz ZOCBSAYQWQVMMM-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103434337 1220882797 /nfs/dbraw/zinc/88/27/97/1220882797.db2.gz ZOCBSAYQWQVMMM-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103434337 1220882799 /nfs/dbraw/zinc/88/27/99/1220882799.db2.gz ZOCBSAYQWQVMMM-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584268 1220908015 /nfs/dbraw/zinc/90/80/15/1220908015.db2.gz KLFGSNPRXXIFST-OWCLPIDISA-N 2 1 368.522 0.306 20 0 FCADMP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001103642973 1220925477 /nfs/dbraw/zinc/92/54/77/1220925477.db2.gz CEMTVNMAZTYOFD-IIAWOOMASA-N 2 1 366.510 0.827 20 0 FCADMP Cc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)n1 ZINC001103641890 1220925631 /nfs/dbraw/zinc/92/56/31/1220925631.db2.gz IFYGMAHCTQJFDC-NVXWUHKLSA-N 2 1 363.506 0.937 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103643853 1220926206 /nfs/dbraw/zinc/92/62/06/1220926206.db2.gz SXRDRBCYFQDONP-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103643853 1220926209 /nfs/dbraw/zinc/92/62/09/1220926209.db2.gz SXRDRBCYFQDONP-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103643853 1220926210 /nfs/dbraw/zinc/92/62/10/1220926210.db2.gz SXRDRBCYFQDONP-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103643797 1220926605 /nfs/dbraw/zinc/92/66/05/1220926605.db2.gz QOTCHOWOLHNGLH-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103643797 1220926609 /nfs/dbraw/zinc/92/66/09/1220926609.db2.gz QOTCHOWOLHNGLH-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103643797 1220926613 /nfs/dbraw/zinc/92/66/13/1220926613.db2.gz QOTCHOWOLHNGLH-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646594 1220926952 /nfs/dbraw/zinc/92/69/52/1220926952.db2.gz AQPDNIIEWFMDTG-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648810 1220927479 /nfs/dbraw/zinc/92/74/79/1220927479.db2.gz KGNKFSHWRFZBAS-RBSFLKMASA-N 2 1 361.490 0.970 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103665842 1220933828 /nfs/dbraw/zinc/93/38/28/1220933828.db2.gz WIGOUUQACIQZIR-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103665842 1220933833 /nfs/dbraw/zinc/93/38/33/1220933833.db2.gz WIGOUUQACIQZIR-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103665842 1220933837 /nfs/dbraw/zinc/93/38/37/1220933837.db2.gz WIGOUUQACIQZIR-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718754 1220951222 /nfs/dbraw/zinc/95/12/22/1220951222.db2.gz DDZHEDDZBJRCSB-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718754 1220951224 /nfs/dbraw/zinc/95/12/24/1220951224.db2.gz DDZHEDDZBJRCSB-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718754 1220951236 /nfs/dbraw/zinc/95/12/36/1220951236.db2.gz DDZHEDDZBJRCSB-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721538 1220951683 /nfs/dbraw/zinc/95/16/83/1220951683.db2.gz WWZPWBYVFLBHLC-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721538 1220951687 /nfs/dbraw/zinc/95/16/87/1220951687.db2.gz WWZPWBYVFLBHLC-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721538 1220951692 /nfs/dbraw/zinc/95/16/92/1220951692.db2.gz WWZPWBYVFLBHLC-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719273 1220952880 /nfs/dbraw/zinc/95/28/80/1220952880.db2.gz XIAKOJKHZKPQBQ-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719273 1220952885 /nfs/dbraw/zinc/95/28/85/1220952885.db2.gz XIAKOJKHZKPQBQ-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719273 1220952892 /nfs/dbraw/zinc/95/28/92/1220952892.db2.gz XIAKOJKHZKPQBQ-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722505 1220953178 /nfs/dbraw/zinc/95/31/78/1220953178.db2.gz QCUDZPVCUYZDCR-KZNAEPCWSA-N 2 1 371.522 0.180 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742534 1220960047 /nfs/dbraw/zinc/96/00/47/1220960047.db2.gz LBBKMVZEONGHMI-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742534 1220960050 /nfs/dbraw/zinc/96/00/50/1220960050.db2.gz LBBKMVZEONGHMI-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742534 1220960053 /nfs/dbraw/zinc/96/00/53/1220960053.db2.gz LBBKMVZEONGHMI-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001103742534 1220960057 /nfs/dbraw/zinc/96/00/57/1220960057.db2.gz LBBKMVZEONGHMI-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103754597 1220965743 /nfs/dbraw/zinc/96/57/43/1220965743.db2.gz MLMBMWFKAIWSGS-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103754597 1220965755 /nfs/dbraw/zinc/96/57/55/1220965755.db2.gz MLMBMWFKAIWSGS-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103754597 1220965762 /nfs/dbraw/zinc/96/57/62/1220965762.db2.gz MLMBMWFKAIWSGS-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001103999723 1220996493 /nfs/dbraw/zinc/99/64/93/1220996493.db2.gz JAWKORJVRKNDPU-FMKPAKJESA-N 2 1 361.494 0.676 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111776198 1221103778 /nfs/dbraw/zinc/10/37/78/1221103778.db2.gz TXMOLXVZDJFYSK-HBFSDRIKSA-N 2 1 367.534 0.944 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111776198 1221103781 /nfs/dbraw/zinc/10/37/81/1221103781.db2.gz TXMOLXVZDJFYSK-HBFSDRIKSA-N 2 1 367.534 0.944 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111776198 1221103784 /nfs/dbraw/zinc/10/37/84/1221103784.db2.gz TXMOLXVZDJFYSK-HBFSDRIKSA-N 2 1 367.534 0.944 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789587 1221110974 /nfs/dbraw/zinc/11/09/74/1221110974.db2.gz YWEFKYGPCDYCCO-IYOUNJFTSA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789587 1221110978 /nfs/dbraw/zinc/11/09/78/1221110978.db2.gz YWEFKYGPCDYCCO-IYOUNJFTSA-N 2 1 367.494 0.143 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111807723 1221120729 /nfs/dbraw/zinc/12/07/29/1221120729.db2.gz AUSYJYYDDQBABY-LPHOPBHVSA-N 2 1 359.474 0.688 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111807723 1221120732 /nfs/dbraw/zinc/12/07/32/1221120732.db2.gz AUSYJYYDDQBABY-LPHOPBHVSA-N 2 1 359.474 0.688 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807785 1221120759 /nfs/dbraw/zinc/12/07/59/1221120759.db2.gz DSBDUNNHZLKWCG-WDYCEAGBSA-N 2 1 358.442 0.926 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864600 1221141229 /nfs/dbraw/zinc/14/12/29/1221141229.db2.gz XYAFHWBFMDVEAQ-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@@H]1CCOC1)C2 ZINC001111864328 1221141460 /nfs/dbraw/zinc/14/14/60/1221141460.db2.gz KXLMQCDOXMHJME-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@@H]1CCOC1)C2 ZINC001111864328 1221141461 /nfs/dbraw/zinc/14/14/61/1221141461.db2.gz KXLMQCDOXMHJME-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2)[NH+](CC)CC ZINC001111869063 1221142764 /nfs/dbraw/zinc/14/27/64/1221142764.db2.gz WBJWWDASNLGHCR-IYOUNJFTSA-N 2 1 367.494 0.272 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2)[NH+](CC)CC ZINC001111869063 1221142766 /nfs/dbraw/zinc/14/27/66/1221142766.db2.gz WBJWWDASNLGHCR-IYOUNJFTSA-N 2 1 367.494 0.272 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001111925941 1221172285 /nfs/dbraw/zinc/17/22/85/1221172285.db2.gz QGFQMUCWQWPPCH-KXBFYZLASA-N 2 1 364.490 0.448 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001111925941 1221172288 /nfs/dbraw/zinc/17/22/88/1221172288.db2.gz QGFQMUCWQWPPCH-KXBFYZLASA-N 2 1 364.490 0.448 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001111925941 1221172290 /nfs/dbraw/zinc/17/22/90/1221172290.db2.gz QGFQMUCWQWPPCH-KXBFYZLASA-N 2 1 364.490 0.448 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111947732 1221181566 /nfs/dbraw/zinc/18/15/66/1221181566.db2.gz XYAFHAHKKLDORQ-KHYOSLBOSA-N 2 1 364.490 0.494 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949250 1221182702 /nfs/dbraw/zinc/18/27/02/1221182702.db2.gz VPIHMRAUKBTBOH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949250 1221182704 /nfs/dbraw/zinc/18/27/04/1221182704.db2.gz VPIHMRAUKBTBOH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229693430 1226028503 /nfs/dbraw/zinc/02/85/03/1226028503.db2.gz SCVFZYHHVIBEDZ-GVDBMIGSSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179097 1221305379 /nfs/dbraw/zinc/30/53/79/1221305379.db2.gz AQHUBNSINOEWEN-SUJAAXHWSA-N 2 1 366.462 0.626 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179097 1221305383 /nfs/dbraw/zinc/30/53/83/1221305383.db2.gz AQHUBNSINOEWEN-SUJAAXHWSA-N 2 1 366.462 0.626 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179097 1221305384 /nfs/dbraw/zinc/30/53/84/1221305384.db2.gz AQHUBNSINOEWEN-SUJAAXHWSA-N 2 1 366.462 0.626 20 0 FCADMP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593292 1221317108 /nfs/dbraw/zinc/31/71/08/1221317108.db2.gz HDIBHCRDPKXVKR-HZPDHXFCSA-N 2 1 368.522 0.639 20 0 FCADMP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593292 1221317119 /nfs/dbraw/zinc/31/71/19/1221317119.db2.gz HDIBHCRDPKXVKR-HZPDHXFCSA-N 2 1 368.522 0.639 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001229860363 1226036908 /nfs/dbraw/zinc/03/69/08/1226036908.db2.gz SRHIRBXIHBELMF-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)[nH+]c1 ZINC001117327942 1221520432 /nfs/dbraw/zinc/52/04/32/1221520432.db2.gz ORULZUMYVZHQHJ-ZBFHGGJFSA-N 2 1 359.474 0.907 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)[nH+]c1 ZINC001117327942 1221520438 /nfs/dbraw/zinc/52/04/38/1221520438.db2.gz ORULZUMYVZHQHJ-ZBFHGGJFSA-N 2 1 359.474 0.907 20 0 FCADMP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001117858446 1221633312 /nfs/dbraw/zinc/63/33/12/1221633312.db2.gz MGFBCGVZTALPFI-IAGOWNOFSA-N 2 1 366.506 0.251 20 0 FCADMP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001117858446 1221633315 /nfs/dbraw/zinc/63/33/15/1221633315.db2.gz MGFBCGVZTALPFI-IAGOWNOFSA-N 2 1 366.506 0.251 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215782 1226065339 /nfs/dbraw/zinc/06/53/39/1226065339.db2.gz XYYITYKBVPITDZ-ZACQAIPSSA-N 2 1 368.522 0.640 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215782 1226065344 /nfs/dbraw/zinc/06/53/44/1226065344.db2.gz XYYITYKBVPITDZ-ZACQAIPSSA-N 2 1 368.522 0.640 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230279869 1226070853 /nfs/dbraw/zinc/07/08/53/1226070853.db2.gz ISXBLAHURGOWPI-RRFJBIMHSA-N 2 1 369.510 0.578 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001118571543 1221801836 /nfs/dbraw/zinc/80/18/36/1221801836.db2.gz DTPJMYNWMDPBMC-JKSUJKDBSA-N 2 1 362.478 0.387 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)CC1 ZINC001119343736 1221901843 /nfs/dbraw/zinc/90/18/43/1221901843.db2.gz MFAYENLVWODVFQ-GOSISDBHSA-N 2 1 374.485 0.769 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001120570354 1222105466 /nfs/dbraw/zinc/10/54/66/1222105466.db2.gz FDTDLFJGCRAILA-SJLPKXTDSA-N 2 1 359.474 0.463 20 0 FCADMP CN1CC[C@@H](N2CCC([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604622 1222108458 /nfs/dbraw/zinc/10/84/58/1222108458.db2.gz VZBTUIMUFDWBMY-VQTJNVASSA-N 2 1 374.529 0.764 20 0 FCADMP CN1CC[C@@H](N2CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604622 1222108462 /nfs/dbraw/zinc/10/84/62/1222108462.db2.gz VZBTUIMUFDWBMY-VQTJNVASSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1)C(=O)N(C)C ZINC001121288609 1222160205 /nfs/dbraw/zinc/16/02/05/1222160205.db2.gz FTMJINJKMNWJSC-IPOBYUMCSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1)C(=O)N(C)C ZINC001121288609 1222160209 /nfs/dbraw/zinc/16/02/09/1222160209.db2.gz FTMJINJKMNWJSC-IPOBYUMCSA-N 2 1 366.506 0.199 20 0 FCADMP CCN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289447 1222160882 /nfs/dbraw/zinc/16/08/82/1222160882.db2.gz SPBKDZRWOWOMMW-ITFIPKOWSA-N 2 1 366.506 0.201 20 0 FCADMP CCN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289447 1222160888 /nfs/dbraw/zinc/16/08/88/1222160888.db2.gz SPBKDZRWOWOMMW-ITFIPKOWSA-N 2 1 366.506 0.201 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001121945046 1222226997 /nfs/dbraw/zinc/22/69/97/1222226997.db2.gz BICKIUPSEIJIRN-GOSISDBHSA-N 2 1 361.490 0.036 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636305 1222346299 /nfs/dbraw/zinc/34/62/99/1222346299.db2.gz KLRQYCZSKVEQEU-PXNSSMCTSA-N 2 1 371.529 0.935 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC001123775319 1222355735 /nfs/dbraw/zinc/35/57/35/1222355735.db2.gz UFLBWXXAJSPTBT-BTHPGYMESA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001123775319 1222355739 /nfs/dbraw/zinc/35/57/39/1222355739.db2.gz UFLBWXXAJSPTBT-BTHPGYMESA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001123775319 1222355743 /nfs/dbraw/zinc/35/57/43/1222355743.db2.gz UFLBWXXAJSPTBT-BTHPGYMESA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769896 1222355925 /nfs/dbraw/zinc/35/59/25/1222355925.db2.gz PJXLGUBWDFSCMR-VBSBHUPXSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769896 1222355929 /nfs/dbraw/zinc/35/59/29/1222355929.db2.gz PJXLGUBWDFSCMR-VBSBHUPXSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001123769896 1222355932 /nfs/dbraw/zinc/35/59/32/1222355932.db2.gz PJXLGUBWDFSCMR-VBSBHUPXSA-N 2 1 372.513 0.374 20 0 FCADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001123990692 1222373063 /nfs/dbraw/zinc/37/30/63/1222373063.db2.gz XRXBDBGPBCIIHS-TWGQIWQCSA-N 2 1 374.485 0.530 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001138718979 1222522143 /nfs/dbraw/zinc/52/21/43/1222522143.db2.gz RWHJDWRNVVMKBF-UHFFFAOYSA-N 2 1 372.510 0.360 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001138718979 1222522147 /nfs/dbraw/zinc/52/21/47/1222522147.db2.gz RWHJDWRNVVMKBF-UHFFFAOYSA-N 2 1 372.510 0.360 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161206148 1222566440 /nfs/dbraw/zinc/56/64/40/1222566440.db2.gz XKWNMCLSSRXWNP-GOSISDBHSA-N 3 1 364.534 0.677 20 0 FCADMP CN1C[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161206148 1222566441 /nfs/dbraw/zinc/56/64/41/1222566441.db2.gz XKWNMCLSSRXWNP-GOSISDBHSA-N 2 1 364.534 0.677 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000834862668 1222593504 /nfs/dbraw/zinc/59/35/04/1222593504.db2.gz VVHOYQQYJVNJQC-RYTJFDOTSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000834862668 1222593506 /nfs/dbraw/zinc/59/35/06/1222593506.db2.gz VVHOYQQYJVNJQC-RYTJFDOTSA-N 2 1 368.522 0.543 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](CC1C(=O)N=CNC1=O)CC2 ZINC001140470366 1222594993 /nfs/dbraw/zinc/59/49/93/1222594993.db2.gz FQCJIDCMTPUPLV-UHFFFAOYSA-N 2 1 359.430 0.212 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000841148598 1222810273 /nfs/dbraw/zinc/81/02/73/1222810273.db2.gz URARXTKZMQNBRD-MRXNPFEDSA-N 2 1 359.474 0.587 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4nccnc34)CC[C@@H]2C1 ZINC001232547125 1226157679 /nfs/dbraw/zinc/15/76/79/1226157679.db2.gz ZCBDVWWNTRFSSY-GDBMZVCRSA-N 2 1 372.473 0.520 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3c[nH]c4nccnc34)CC[C@@H]2C1 ZINC001232547125 1226157681 /nfs/dbraw/zinc/15/76/81/1226157681.db2.gz ZCBDVWWNTRFSSY-GDBMZVCRSA-N 2 1 372.473 0.520 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3c[nH]c4nccnc34)CC[C@@H]2C1 ZINC001232547125 1226157687 /nfs/dbraw/zinc/15/76/87/1226157687.db2.gz ZCBDVWWNTRFSSY-GDBMZVCRSA-N 2 1 372.473 0.520 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842011501 1222832723 /nfs/dbraw/zinc/83/27/23/1222832723.db2.gz PEAAMAAHRIXLOT-MJGOQNOKSA-N 2 1 362.474 0.253 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000842132451 1222836218 /nfs/dbraw/zinc/83/62/18/1222836218.db2.gz BXCBWDLAJOSQJP-DZOHQFGASA-N 2 1 358.486 0.867 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(N2CCCC2)[nH+]1 ZINC000842195298 1222840270 /nfs/dbraw/zinc/84/02/70/1222840270.db2.gz LXLBSLAPLDQSGQ-HXUWFJFHSA-N 2 1 371.485 0.961 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000843248199 1222863171 /nfs/dbraw/zinc/86/31/71/1222863171.db2.gz FPONMPYXSDTAQN-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000843248199 1222863172 /nfs/dbraw/zinc/86/31/72/1222863172.db2.gz FPONMPYXSDTAQN-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000843248199 1222863173 /nfs/dbraw/zinc/86/31/73/1222863173.db2.gz FPONMPYXSDTAQN-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000843248199 1222863177 /nfs/dbraw/zinc/86/31/77/1222863177.db2.gz FPONMPYXSDTAQN-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCC(C(=O)N2CCCC2)CC1 ZINC000843363935 1222873888 /nfs/dbraw/zinc/87/38/88/1222873888.db2.gz VXCBFTOQXAISMK-UHFFFAOYSA-N 2 1 362.518 0.923 20 0 FCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843384847 1222874429 /nfs/dbraw/zinc/87/44/29/1222874429.db2.gz CMSFUDGMRKJBHC-CQSZACIVSA-N 2 1 365.478 0.866 20 0 FCADMP CC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484937 1222977123 /nfs/dbraw/zinc/97/71/23/1222977123.db2.gz IXBUHTGMYRLWEP-WCXIOVBPSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153484937 1222977128 /nfs/dbraw/zinc/97/71/28/1222977128.db2.gz IXBUHTGMYRLWEP-WCXIOVBPSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153484937 1222977134 /nfs/dbraw/zinc/97/71/34/1222977134.db2.gz IXBUHTGMYRLWEP-WCXIOVBPSA-N 2 1 368.522 0.137 20 0 FCADMP CN1c2cnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)nc2N2CCC[C@@H]2C1=O ZINC001155375479 1223034029 /nfs/dbraw/zinc/03/40/29/1223034029.db2.gz FGPWSSSAKGHXIP-LSDHHAIUSA-N 2 1 371.489 0.281 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138580 1223090191 /nfs/dbraw/zinc/09/01/91/1223090191.db2.gz XJRRGJUBDSHVED-MSOLQXFVSA-N 3 1 360.502 0.993 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158327912 1223095301 /nfs/dbraw/zinc/09/53/01/1223095301.db2.gz RFPFFLAXTQSZNV-IPMKNSEASA-N 3 1 370.497 0.537 20 0 FCADMP CN1C[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158327912 1223095303 /nfs/dbraw/zinc/09/53/03/1223095303.db2.gz RFPFFLAXTQSZNV-IPMKNSEASA-N 2 1 370.497 0.537 20 0 FCADMP CN(C[C@H](O)CO)C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001158800640 1223110104 /nfs/dbraw/zinc/11/01/04/1223110104.db2.gz XIDLZYHEQQVTRV-WSTZPKSXSA-N 2 1 361.486 0.300 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891372 1223112339 /nfs/dbraw/zinc/11/23/39/1223112339.db2.gz YBQBFGBPSLWDRB-XUWXXGDYSA-N 2 1 374.420 0.368 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891371 1223112464 /nfs/dbraw/zinc/11/24/64/1223112464.db2.gz YBQBFGBPSLWDRB-QIIPPGSGSA-N 2 1 374.420 0.368 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C2)C1 ZINC001159126266 1223117711 /nfs/dbraw/zinc/11/77/11/1223117711.db2.gz NEXUNKWURLKFRH-BEFAXECRSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C2)C1 ZINC001159126266 1223117713 /nfs/dbraw/zinc/11/77/13/1223117713.db2.gz NEXUNKWURLKFRH-BEFAXECRSA-N 2 1 368.522 0.437 20 0 FCADMP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159158586 1223119472 /nfs/dbraw/zinc/11/94/72/1223119472.db2.gz PMVMKJVRHLVZSS-FPSMNIFISA-N 2 1 358.490 0.717 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC[C@@H]21 ZINC001159533375 1223129216 /nfs/dbraw/zinc/12/92/16/1223129216.db2.gz DTYPOSREDBCAGO-FPSMNIFISA-N 2 1 361.490 0.306 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)CC[C@@H]21 ZINC001159534846 1223129375 /nfs/dbraw/zinc/12/93/75/1223129375.db2.gz RYFQALWDBSBKRO-SQNIBIBYSA-N 2 1 374.533 0.664 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549875 1223129674 /nfs/dbraw/zinc/12/96/74/1223129674.db2.gz UDAKFWZWAPTMNF-HNNXBMFYSA-N 2 1 357.462 0.551 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666082 1223132817 /nfs/dbraw/zinc/13/28/17/1223132817.db2.gz OYUNYUHLQVYGHQ-KSZLIROESA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666082 1223132820 /nfs/dbraw/zinc/13/28/20/1223132820.db2.gz OYUNYUHLQVYGHQ-KSZLIROESA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666082 1223132824 /nfs/dbraw/zinc/13/28/24/1223132824.db2.gz OYUNYUHLQVYGHQ-KSZLIROESA-N 2 1 370.457 0.176 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159697100 1223134177 /nfs/dbraw/zinc/13/41/77/1223134177.db2.gz MDKQEVPEGPAGPC-CGTJXYLNSA-N 2 1 374.485 0.808 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159854790 1223138459 /nfs/dbraw/zinc/13/84/59/1223138459.db2.gz FTPNUDUBHDNSIH-FKNOUYQLSA-N 2 1 374.460 0.440 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001159898648 1223139212 /nfs/dbraw/zinc/13/92/12/1223139212.db2.gz RRMYFDYMKBFJTH-RBUKOAKNSA-N 2 1 370.453 0.772 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001159898648 1223139214 /nfs/dbraw/zinc/13/92/14/1223139214.db2.gz RRMYFDYMKBFJTH-RBUKOAKNSA-N 2 1 370.453 0.772 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001159929697 1223140010 /nfs/dbraw/zinc/14/00/10/1223140010.db2.gz JDAKCCMVKQOYKA-PNYFIKQUSA-N 2 1 364.534 0.772 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001159929697 1223140012 /nfs/dbraw/zinc/14/00/12/1223140012.db2.gz JDAKCCMVKQOYKA-PNYFIKQUSA-N 2 1 364.534 0.772 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001159966606 1223141219 /nfs/dbraw/zinc/14/12/19/1223141219.db2.gz HYQGWDKWTXWFEW-LNLFQRSKSA-N 2 1 362.474 0.672 20 0 FCADMP O=C([C@H]1CC[NH2+]C[C@H]1F)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065581 1223143763 /nfs/dbraw/zinc/14/37/63/1223143763.db2.gz LNGBMRPACYMQPQ-LSDHHAIUSA-N 2 1 358.421 0.862 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065591 1223143929 /nfs/dbraw/zinc/14/39/29/1223143929.db2.gz LSMWBQPFCOBUNT-HNNXBMFYSA-N 3 1 357.462 0.371 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160106154 1223145841 /nfs/dbraw/zinc/14/58/41/1223145841.db2.gz WKWXMUHAMZBJKZ-KRWDZBQOSA-N 2 1 371.485 0.388 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160106155 1223146003 /nfs/dbraw/zinc/14/60/03/1223146003.db2.gz WKWXMUHAMZBJKZ-QGZVFWFLSA-N 2 1 371.485 0.388 20 0 FCADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157822 1223147205 /nfs/dbraw/zinc/14/72/05/1223147205.db2.gz ZXVHJEYVOQZAQD-XHSDSOJGSA-N 2 1 367.490 0.628 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN(CCF)CC1 ZINC001160628371 1223166530 /nfs/dbraw/zinc/16/65/30/1223166530.db2.gz COEVQTIJJDNNKQ-GOSISDBHSA-N 2 1 360.477 0.822 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN(CCF)CC1 ZINC001160628371 1223166533 /nfs/dbraw/zinc/16/65/33/1223166533.db2.gz COEVQTIJJDNNKQ-GOSISDBHSA-N 2 1 360.477 0.822 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160854986 1223177374 /nfs/dbraw/zinc/17/73/74/1223177374.db2.gz JKUNELDVIFCDJM-KZNAEPCWSA-N 2 1 357.454 0.827 20 0 FCADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160854986 1223177376 /nfs/dbraw/zinc/17/73/76/1223177376.db2.gz JKUNELDVIFCDJM-KZNAEPCWSA-N 2 1 357.454 0.827 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)O1 ZINC001160857406 1223177945 /nfs/dbraw/zinc/17/79/45/1223177945.db2.gz IEMQVWIXPXLJLD-CSMYWGQOSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)O1 ZINC001160857406 1223177947 /nfs/dbraw/zinc/17/79/47/1223177947.db2.gz IEMQVWIXPXLJLD-CSMYWGQOSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2cc(F)ccc2F)O1 ZINC001160857407 1223178341 /nfs/dbraw/zinc/17/83/41/1223178341.db2.gz IEMQVWIXPXLJLD-OAUYIBNBSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2cc(F)ccc2F)O1 ZINC001160857407 1223178343 /nfs/dbraw/zinc/17/83/43/1223178343.db2.gz IEMQVWIXPXLJLD-OAUYIBNBSA-N 2 1 371.428 0.813 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cccc(F)c2)O1 ZINC001160857536 1223178444 /nfs/dbraw/zinc/17/84/44/1223178444.db2.gz JGMVQMRZCQXXND-CZUORRHYSA-N 2 1 366.437 0.579 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cccc(F)c2)O1 ZINC001160857536 1223178447 /nfs/dbraw/zinc/17/84/47/1223178447.db2.gz JGMVQMRZCQXXND-CZUORRHYSA-N 2 1 366.437 0.579 20 0 FCADMP CN(C(=O)CN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001160893843 1223179847 /nfs/dbraw/zinc/17/98/47/1223179847.db2.gz CERYHHHRNALWQQ-UHFFFAOYSA-N 2 1 373.501 0.135 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160959249 1223182711 /nfs/dbraw/zinc/18/27/11/1223182711.db2.gz QGGGQKWMGRCLHD-IAISJRAMSA-N 2 1 357.462 0.322 20 0 FCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197025 1223189169 /nfs/dbraw/zinc/18/91/69/1223189169.db2.gz WIQRBBSBJMZALR-IEBWSBKVSA-N 3 1 366.550 0.925 20 0 FCADMP O=C([C@H]1CC[NH2+]C[C@H]1F)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198424 1223189260 /nfs/dbraw/zinc/18/92/60/1223189260.db2.gz QODTYEWHQVWGMG-ZWKOTPCHSA-N 3 1 370.513 0.485 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371164 1223197225 /nfs/dbraw/zinc/19/72/25/1223197225.db2.gz BGTIWXUFSBMNPW-SJORKVTESA-N 3 1 372.517 0.158 20 0 FCADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3cccc(CN4CC[NH2+]CC4)c3)C2)CC1 ZINC001161381878 1223197698 /nfs/dbraw/zinc/19/76/98/1223197698.db2.gz QOJJCSNNAKUAQO-FQEVSTJZSA-N 3 1 371.529 0.729 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430976 1223199231 /nfs/dbraw/zinc/19/92/31/1223199231.db2.gz SHNRHSDQLRYNQD-LJQANCHMSA-N 2 1 359.518 0.518 20 0 FCADMP CO[C@@H]1CN(C(=O)c2ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC001161493169 1223202945 /nfs/dbraw/zinc/20/29/45/1223202945.db2.gz FEVHNXVPONDUOC-HRCADAONSA-N 2 1 363.458 0.696 20 0 FCADMP O=S1(=O)CCN(c2cc[nH+]c(CNc3cc4c(nn3)CC[NH2+]C4)c2)CC1 ZINC001162066032 1223210700 /nfs/dbraw/zinc/21/07/00/1223210700.db2.gz AWCNJSAILLJBHJ-UHFFFAOYSA-N 2 1 374.470 0.364 20 0 FCADMP COCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162320374 1223213601 /nfs/dbraw/zinc/21/36/01/1223213601.db2.gz KWHFLFSIHDAFTE-IAGOWNOFSA-N 2 1 371.522 0.587 20 0 FCADMP COCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162320374 1223213606 /nfs/dbraw/zinc/21/36/06/1223213606.db2.gz KWHFLFSIHDAFTE-IAGOWNOFSA-N 2 1 371.522 0.587 20 0 FCADMP C[C@@H]([NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001162809970 1223220039 /nfs/dbraw/zinc/22/00/39/1223220039.db2.gz ALLLWVGMNBPAAJ-JFIYKMOQSA-N 2 1 360.502 0.861 20 0 FCADMP COCC[N@H+](C)Cc1ccnc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c1 ZINC001163115665 1223226085 /nfs/dbraw/zinc/22/60/85/1223226085.db2.gz IKKAXSICMKIXLR-UHFFFAOYSA-N 2 1 372.473 0.822 20 0 FCADMP COCC[N@@H+](C)Cc1ccnc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c1 ZINC001163115665 1223226089 /nfs/dbraw/zinc/22/60/89/1223226089.db2.gz IKKAXSICMKIXLR-UHFFFAOYSA-N 2 1 372.473 0.822 20 0 FCADMP O=c1cc(CNc2ccc(O[C@@H]3CCC[NH2+]C3)nn2)nc2n1CCC[NH2+]C2 ZINC001163116336 1223226127 /nfs/dbraw/zinc/22/61/27/1223226127.db2.gz RXHAIJYAFXOARL-CQSZACIVSA-N 2 1 371.445 0.270 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163306737 1223229170 /nfs/dbraw/zinc/22/91/70/1223229170.db2.gz SQQVNMSESSILRF-VQIMIIECSA-N 2 1 359.474 0.792 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3ncnn3CCF)CC2)CC[N@H+]1C ZINC001164578804 1223240270 /nfs/dbraw/zinc/24/02/70/1223240270.db2.gz SMKNFGZVRHSLOI-HUUCEWRRSA-N 2 1 366.485 0.964 20 0 FCADMP NC(=O)[C@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CCN1 ZINC001165070856 1223241180 /nfs/dbraw/zinc/24/11/80/1223241180.db2.gz BIHPRAUNVVZSFL-GOSISDBHSA-N 2 1 351.454 0.903 20 0 FCADMP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165283933 1223243759 /nfs/dbraw/zinc/24/37/59/1223243759.db2.gz PXVPGCVEPXCSOK-YJYMSZOUSA-N 2 1 373.457 0.996 20 0 FCADMP [NH3+]C1([C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2CF)CC1 ZINC001165432389 1223246051 /nfs/dbraw/zinc/24/60/51/1223246051.db2.gz JGMGLAJCSJJGHG-TZMCWYRMSA-N 2 1 362.453 0.430 20 0 FCADMP CCn1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001165729121 1223255521 /nfs/dbraw/zinc/25/55/21/1223255521.db2.gz ZGCQNXPVGITACM-NVXWUHKLSA-N 2 1 363.506 0.998 20 0 FCADMP CCn1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001165729121 1223255525 /nfs/dbraw/zinc/25/55/25/1223255525.db2.gz ZGCQNXPVGITACM-NVXWUHKLSA-N 2 1 363.506 0.998 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205188256 1223315640 /nfs/dbraw/zinc/31/56/40/1223315640.db2.gz FCVJBLPYUFZDNB-QXAKKESOSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205188256 1223315643 /nfs/dbraw/zinc/31/56/43/1223315643.db2.gz FCVJBLPYUFZDNB-QXAKKESOSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001205188256 1223315645 /nfs/dbraw/zinc/31/56/45/1223315645.db2.gz FCVJBLPYUFZDNB-QXAKKESOSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001205188256 1223315648 /nfs/dbraw/zinc/31/56/48/1223315648.db2.gz FCVJBLPYUFZDNB-QXAKKESOSA-N 2 1 361.486 0.394 20 0 FCADMP CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CC[NH+]2CCOCC2)C1 ZINC001205203414 1223316005 /nfs/dbraw/zinc/31/60/05/1223316005.db2.gz FIIDYDBKCBEMGW-RTBURBONSA-N 2 1 361.486 0.803 20 0 FCADMP CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CC[NH+]2CCOCC2)C1 ZINC001205203414 1223316010 /nfs/dbraw/zinc/31/60/10/1223316010.db2.gz FIIDYDBKCBEMGW-RTBURBONSA-N 2 1 361.486 0.803 20 0 FCADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001205228956 1223318601 /nfs/dbraw/zinc/31/86/01/1223318601.db2.gz KUNHGUGNNCACBP-IBGZPJMESA-N 3 1 358.490 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001205340334 1223320655 /nfs/dbraw/zinc/32/06/55/1223320655.db2.gz XAASUXZUUUMUBR-BPQIPLTHSA-N 2 1 363.506 0.412 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516746 1223330123 /nfs/dbraw/zinc/33/01/23/1223330123.db2.gz SOZPQDJTFUSYQD-JKSUJKDBSA-N 2 1 366.506 0.143 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205668878 1223334474 /nfs/dbraw/zinc/33/44/74/1223334474.db2.gz XBYFNWSLTVYJSL-UKPHBRMFSA-N 2 1 364.465 0.925 20 0 FCADMP O=C1COCC2(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)N1 ZINC001206683586 1223365141 /nfs/dbraw/zinc/36/51/41/1223365141.db2.gz JDZMFEIGHYOTON-UHFFFAOYSA-N 2 1 359.470 1.000 20 0 FCADMP CCOCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001206993081 1223401856 /nfs/dbraw/zinc/40/18/56/1223401856.db2.gz RCDRYYAKRMOHAX-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001206993081 1223401859 /nfs/dbraw/zinc/40/18/59/1223401859.db2.gz RCDRYYAKRMOHAX-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001206993081 1223401861 /nfs/dbraw/zinc/40/18/61/1223401861.db2.gz RCDRYYAKRMOHAX-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001206993081 1223401864 /nfs/dbraw/zinc/40/18/64/1223401864.db2.gz RCDRYYAKRMOHAX-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001206993081 1223401866 /nfs/dbraw/zinc/40/18/66/1223401866.db2.gz RCDRYYAKRMOHAX-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccc[nH]c2=O)CC3)CC1 ZINC001207006589 1223404551 /nfs/dbraw/zinc/40/45/51/1223404551.db2.gz IYVYEXXRMBCRQN-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc[nH]c2=O)CC3)CC1 ZINC001207006589 1223404554 /nfs/dbraw/zinc/40/45/54/1223404554.db2.gz IYVYEXXRMBCRQN-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP COCCNC(=O)[C@@H]1Cn2nccc2C[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481656 1223448978 /nfs/dbraw/zinc/44/89/78/1223448978.db2.gz BWMSOGSXQPZKED-KRWDZBQOSA-N 2 1 363.506 0.809 20 0 FCADMP COCCNC(=O)[C@@H]1Cn2nccc2C[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481656 1223448981 /nfs/dbraw/zinc/44/89/81/1223448981.db2.gz BWMSOGSXQPZKED-KRWDZBQOSA-N 2 1 363.506 0.809 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207482576 1223449577 /nfs/dbraw/zinc/44/95/77/1223449577.db2.gz ONJGCJDEUZTVDY-FQEVSTJZSA-N 2 1 366.550 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001207538662 1223453578 /nfs/dbraw/zinc/45/35/78/1223453578.db2.gz SKQPXJVEYXVNHM-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001207538662 1223453580 /nfs/dbraw/zinc/45/35/80/1223453580.db2.gz SKQPXJVEYXVNHM-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001207538662 1223453582 /nfs/dbraw/zinc/45/35/82/1223453582.db2.gz SKQPXJVEYXVNHM-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007367 1223505535 /nfs/dbraw/zinc/50/55/35/1223505535.db2.gz CFKDNPGPDDJNKB-NVXWUHKLSA-N 2 1 364.490 0.861 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007367 1223505539 /nfs/dbraw/zinc/50/55/39/1223505539.db2.gz CFKDNPGPDDJNKB-NVXWUHKLSA-N 2 1 364.490 0.861 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](CCCn2cccn2)CC3)CC1 ZINC001208075440 1223514320 /nfs/dbraw/zinc/51/43/20/1223514320.db2.gz ICPRZAJTFNYSCO-UHFFFAOYSA-N 2 1 355.490 0.916 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](CCCn2cccn2)CC3)CC1 ZINC001208075440 1223514323 /nfs/dbraw/zinc/51/43/23/1223514323.db2.gz ICPRZAJTFNYSCO-UHFFFAOYSA-N 2 1 355.490 0.916 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092063 1223515824 /nfs/dbraw/zinc/51/58/24/1223515824.db2.gz IEJBKBKVHQRINU-SZVBFZGTSA-N 2 1 363.502 0.848 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208164443 1223520211 /nfs/dbraw/zinc/52/02/11/1223520211.db2.gz QGUNZSUYQDETIS-RBSFLKMASA-N 2 1 364.490 0.493 20 0 FCADMP Cn1nnc2cc(C[N@H+]3CC[C@]4(CCN(CC[NH+](C)C)C4=O)C3)ccc21 ZINC001276567138 1223532385 /nfs/dbraw/zinc/53/23/85/1223532385.db2.gz VYYJXXCPYGAQBK-IBGZPJMESA-N 2 1 356.474 0.954 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001208410748 1223540914 /nfs/dbraw/zinc/54/09/14/1223540914.db2.gz DDWXMQVSIQLICG-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001208410748 1223540920 /nfs/dbraw/zinc/54/09/20/1223540920.db2.gz DDWXMQVSIQLICG-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411160 1223541208 /nfs/dbraw/zinc/54/12/08/1223541208.db2.gz NXZVIKGZNJOVPN-BZUAXINKSA-N 2 1 368.522 0.591 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411160 1223541212 /nfs/dbraw/zinc/54/12/12/1223541212.db2.gz NXZVIKGZNJOVPN-BZUAXINKSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412965 1223541991 /nfs/dbraw/zinc/54/19/91/1223541991.db2.gz UYQXQQQZARSSDP-LTIDMASMSA-N 2 1 367.538 0.861 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412965 1223541992 /nfs/dbraw/zinc/54/19/92/1223541992.db2.gz UYQXQQQZARSSDP-LTIDMASMSA-N 2 1 367.538 0.861 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412965 1223541995 /nfs/dbraw/zinc/54/19/95/1223541995.db2.gz UYQXQQQZARSSDP-LTIDMASMSA-N 2 1 367.538 0.861 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001208411309 1223542305 /nfs/dbraw/zinc/54/23/05/1223542305.db2.gz RABQCPAHVROACI-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)O1 ZINC001208411309 1223542309 /nfs/dbraw/zinc/54/23/09/1223542309.db2.gz RABQCPAHVROACI-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492550 1223550948 /nfs/dbraw/zinc/55/09/48/1223550948.db2.gz NACBSQYAYMKTLO-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492550 1223550951 /nfs/dbraw/zinc/55/09/51/1223550951.db2.gz NACBSQYAYMKTLO-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208572530 1223558843 /nfs/dbraw/zinc/55/88/43/1223558843.db2.gz YWYOEMJPCYZZQP-ZACQAIPSSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208572530 1223558847 /nfs/dbraw/zinc/55/88/47/1223558847.db2.gz YWYOEMJPCYZZQP-ZACQAIPSSA-N 2 1 370.538 0.696 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001208601321 1223562576 /nfs/dbraw/zinc/56/25/76/1223562576.db2.gz XVJSWJKYTQBTNT-RTBURBONSA-N 3 1 366.550 0.829 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001208601321 1223562578 /nfs/dbraw/zinc/56/25/78/1223562578.db2.gz XVJSWJKYTQBTNT-RTBURBONSA-N 3 1 366.550 0.829 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001208601321 1223562580 /nfs/dbraw/zinc/56/25/80/1223562580.db2.gz XVJSWJKYTQBTNT-RTBURBONSA-N 3 1 366.550 0.829 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001208601321 1223562582 /nfs/dbraw/zinc/56/25/82/1223562582.db2.gz XVJSWJKYTQBTNT-RTBURBONSA-N 2 1 366.550 0.829 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001208601321 1223562589 /nfs/dbraw/zinc/56/25/89/1223562589.db2.gz XVJSWJKYTQBTNT-RTBURBONSA-N 2 1 366.550 0.829 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637110 1223565555 /nfs/dbraw/zinc/56/55/55/1223565555.db2.gz FXXDUBPORQLBOX-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637110 1223565558 /nfs/dbraw/zinc/56/55/58/1223565558.db2.gz FXXDUBPORQLBOX-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208637110 1223565562 /nfs/dbraw/zinc/56/55/62/1223565562.db2.gz FXXDUBPORQLBOX-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208637110 1223565566 /nfs/dbraw/zinc/56/55/66/1223565566.db2.gz FXXDUBPORQLBOX-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1n[nH]nc1C(=O)NC ZINC001208742555 1223574910 /nfs/dbraw/zinc/57/49/10/1223574910.db2.gz AGFYEDITFFIILW-GFCCVEGCSA-N 2 1 366.470 0.044 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2)C1 ZINC001276609986 1223594184 /nfs/dbraw/zinc/59/41/84/1223594184.db2.gz OHZYCDRLJQFBGS-LPHOPBHVSA-N 2 1 369.506 0.641 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2)C1 ZINC001276609986 1223594187 /nfs/dbraw/zinc/59/41/87/1223594187.db2.gz OHZYCDRLJQFBGS-LPHOPBHVSA-N 2 1 369.506 0.641 20 0 FCADMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](CCN4CCOCC4)CC[C@@H]3C2)ccn1 ZINC001209290717 1223608677 /nfs/dbraw/zinc/60/86/77/1223608677.db2.gz VOPBOEIUKGQKQT-WOJBJXKFSA-N 2 1 360.502 0.937 20 0 FCADMP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](CCN4CCOCC4)CC[C@@H]3C2)ccn1 ZINC001209290717 1223608680 /nfs/dbraw/zinc/60/86/80/1223608680.db2.gz VOPBOEIUKGQKQT-WOJBJXKFSA-N 2 1 360.502 0.937 20 0 FCADMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](CCN4CCOCC4)CC[C@@H]3C2)ccn1 ZINC001209290717 1223608683 /nfs/dbraw/zinc/60/86/83/1223608683.db2.gz VOPBOEIUKGQKQT-WOJBJXKFSA-N 2 1 360.502 0.937 20 0 FCADMP COC(=O)CC[N@H+](CCC[NH+](C)C)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001209332563 1223611686 /nfs/dbraw/zinc/61/16/86/1223611686.db2.gz GBURJSOZCNSPQT-AWEZNQCLSA-N 2 1 365.474 0.922 20 0 FCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001209332563 1223611688 /nfs/dbraw/zinc/61/16/88/1223611688.db2.gz GBURJSOZCNSPQT-AWEZNQCLSA-N 2 1 365.474 0.922 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477610 1223623205 /nfs/dbraw/zinc/62/32/05/1223623205.db2.gz HGNRXTOACXEYMS-QZTJIDSGSA-N 2 1 371.522 0.588 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477610 1223623208 /nfs/dbraw/zinc/62/32/08/1223623208.db2.gz HGNRXTOACXEYMS-QZTJIDSGSA-N 2 1 371.522 0.588 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001209562173 1223631367 /nfs/dbraw/zinc/63/13/67/1223631367.db2.gz QEOVWXBZIMBDEJ-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)C(C)C ZINC001209584896 1223632987 /nfs/dbraw/zinc/63/29/87/1223632987.db2.gz CPFFNYJGUCSNIL-BRWVUGGUSA-N 2 1 367.538 0.815 20 0 FCADMP Nc1ccncc1CN1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001209727531 1223643793 /nfs/dbraw/zinc/64/37/93/1223643793.db2.gz XBIFUDDWCQBONQ-VHSSKADRSA-N 2 1 368.441 0.694 20 0 FCADMP Nc1ccncc1C[N@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001209726733 1223644202 /nfs/dbraw/zinc/64/42/02/1223644202.db2.gz SRFGYHOKPCBJQO-MRXNPFEDSA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001209726733 1223644204 /nfs/dbraw/zinc/64/42/04/1223644204.db2.gz SRFGYHOKPCBJQO-MRXNPFEDSA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001209726733 1223644206 /nfs/dbraw/zinc/64/42/06/1223644206.db2.gz SRFGYHOKPCBJQO-MRXNPFEDSA-N 2 1 360.458 0.582 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1 ZINC001209731053 1223644689 /nfs/dbraw/zinc/64/46/89/1223644689.db2.gz UCQWOUYHXVKJON-RLFYNMQTSA-N 2 1 368.441 0.551 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1 ZINC001209731053 1223644693 /nfs/dbraw/zinc/64/46/93/1223644693.db2.gz UCQWOUYHXVKJON-RLFYNMQTSA-N 2 1 368.441 0.551 20 0 FCADMP CNC(=O)[C@]12C[N@H+](Cc3c[nH+]ccc3N)C[C@H]1N(c1ncccn1)CCC2 ZINC001209731540 1223644960 /nfs/dbraw/zinc/64/49/60/1223644960.db2.gz XVPVCHZQNIFOCX-VQIMIIECSA-N 2 1 367.457 0.501 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](Cc3c[nH+]ccc3N)C[C@H]1N(c1ncccn1)CCC2 ZINC001209731540 1223644967 /nfs/dbraw/zinc/64/49/67/1223644967.db2.gz XVPVCHZQNIFOCX-VQIMIIECSA-N 2 1 367.457 0.501 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298985 1223681258 /nfs/dbraw/zinc/68/12/58/1223681258.db2.gz WBPNVZFSNWVFDK-OWCLPIDISA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210298985 1223681259 /nfs/dbraw/zinc/68/12/59/1223681259.db2.gz WBPNVZFSNWVFDK-OWCLPIDISA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210298985 1223681262 /nfs/dbraw/zinc/68/12/62/1223681262.db2.gz WBPNVZFSNWVFDK-OWCLPIDISA-N 2 1 367.538 0.862 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210298712 1223681753 /nfs/dbraw/zinc/68/17/53/1223681753.db2.gz RKNLNEFIKKVNIN-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210298712 1223681755 /nfs/dbraw/zinc/68/17/55/1223681755.db2.gz RKNLNEFIKKVNIN-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210298712 1223681756 /nfs/dbraw/zinc/68/17/56/1223681756.db2.gz RKNLNEFIKKVNIN-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210298712 1223681758 /nfs/dbraw/zinc/68/17/58/1223681758.db2.gz RKNLNEFIKKVNIN-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315614 1223682289 /nfs/dbraw/zinc/68/22/89/1223682289.db2.gz SYSHXVGVSRARHD-HUUCEWRRSA-N 2 1 371.526 0.099 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210528797 1223696053 /nfs/dbraw/zinc/69/60/53/1223696053.db2.gz HUAUDTPPUHKVGE-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210528797 1223696054 /nfs/dbraw/zinc/69/60/54/1223696054.db2.gz HUAUDTPPUHKVGE-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210528797 1223696055 /nfs/dbraw/zinc/69/60/55/1223696055.db2.gz HUAUDTPPUHKVGE-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025559 1223719124 /nfs/dbraw/zinc/71/91/24/1223719124.db2.gz LSCWJFMLBBIAKD-DJIMGWMZSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211025559 1223719127 /nfs/dbraw/zinc/71/91/27/1223719127.db2.gz LSCWJFMLBBIAKD-DJIMGWMZSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211025559 1223719130 /nfs/dbraw/zinc/71/91/30/1223719130.db2.gz LSCWJFMLBBIAKD-DJIMGWMZSA-N 2 1 359.474 0.086 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211025559 1223719134 /nfs/dbraw/zinc/71/91/34/1223719134.db2.gz LSCWJFMLBBIAKD-DJIMGWMZSA-N 2 1 359.474 0.086 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366673 1223738166 /nfs/dbraw/zinc/73/81/66/1223738166.db2.gz ITJUAPSGLGCJQO-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366673 1223738169 /nfs/dbraw/zinc/73/81/69/1223738169.db2.gz ITJUAPSGLGCJQO-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211366673 1223738172 /nfs/dbraw/zinc/73/81/72/1223738172.db2.gz ITJUAPSGLGCJQO-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211366673 1223738175 /nfs/dbraw/zinc/73/81/75/1223738175.db2.gz ITJUAPSGLGCJQO-IAGOWNOFSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2)C1)C1CC1 ZINC001211451686 1223743493 /nfs/dbraw/zinc/74/34/93/1223743493.db2.gz FRBMRNMXKPWESL-NVXWUHKLSA-N 2 1 361.490 0.967 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397271 1223794142 /nfs/dbraw/zinc/79/41/42/1223794142.db2.gz FGEOYJNPKWSUTG-JFIYKMOQSA-N 2 1 364.490 0.287 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397271 1223794144 /nfs/dbraw/zinc/79/41/44/1223794144.db2.gz FGEOYJNPKWSUTG-JFIYKMOQSA-N 2 1 364.490 0.287 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001213455497 1223801205 /nfs/dbraw/zinc/80/12/05/1223801205.db2.gz DXAZLBVPTHSZLY-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001213576348 1223816346 /nfs/dbraw/zinc/81/63/46/1223816346.db2.gz KRESBHXHZXYNLY-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576348 1223816348 /nfs/dbraw/zinc/81/63/48/1223816348.db2.gz KRESBHXHZXYNLY-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576348 1223816351 /nfs/dbraw/zinc/81/63/51/1223816351.db2.gz KRESBHXHZXYNLY-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1)OC ZINC001213576042 1223816441 /nfs/dbraw/zinc/81/64/41/1223816441.db2.gz FPUWMUYZZYXTLD-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1)OC ZINC001213576042 1223816449 /nfs/dbraw/zinc/81/64/49/1223816449.db2.gz FPUWMUYZZYXTLD-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638245 1223825443 /nfs/dbraw/zinc/82/54/43/1223825443.db2.gz GBVNGCFILBXWBF-QZTJIDSGSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728834 1223840038 /nfs/dbraw/zinc/84/00/38/1223840038.db2.gz VFUGROBLAKWGIA-RTBURBONSA-N 2 1 363.502 0.931 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728900 1223840358 /nfs/dbraw/zinc/84/03/58/1223840358.db2.gz YVXDOYDJYNNQRR-QZTJIDSGSA-N 2 1 364.490 0.592 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728900 1223840362 /nfs/dbraw/zinc/84/03/62/1223840362.db2.gz YVXDOYDJYNNQRR-QZTJIDSGSA-N 2 1 364.490 0.592 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213756253 1223844881 /nfs/dbraw/zinc/84/48/81/1223844881.db2.gz OMZWYQNZNHQFTI-IAGOWNOFSA-N 2 1 364.490 0.433 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859542 1223862271 /nfs/dbraw/zinc/86/22/71/1223862271.db2.gz FMRWQHIJFSLPTJ-BRWVUGGUSA-N 2 1 368.478 0.040 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859542 1223862273 /nfs/dbraw/zinc/86/22/73/1223862273.db2.gz FMRWQHIJFSLPTJ-BRWVUGGUSA-N 2 1 368.478 0.040 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001214780256 1223941731 /nfs/dbraw/zinc/94/17/31/1223941731.db2.gz RUCAHISYCGMKGG-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214855290 1223948562 /nfs/dbraw/zinc/94/85/62/1223948562.db2.gz BKHGXIRZLBSNRG-YUELXQCFSA-N 2 1 365.478 0.025 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214863810 1223949207 /nfs/dbraw/zinc/94/92/07/1223949207.db2.gz XKAZJGQZKWBCKK-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001215003446 1223962896 /nfs/dbraw/zinc/96/28/96/1223962896.db2.gz DGWJTAXSTDUOJT-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@H]2C)[nH]1 ZINC001215015239 1223964371 /nfs/dbraw/zinc/96/43/71/1223964371.db2.gz NUSRQERLYGDLDM-CZUORRHYSA-N 2 1 357.462 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001215015422 1223964430 /nfs/dbraw/zinc/96/44/30/1223964430.db2.gz RYZFOIITZOVBBR-RHSMWYFYSA-N 2 1 357.462 0.673 20 0 FCADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215015263 1223964450 /nfs/dbraw/zinc/96/44/50/1223964450.db2.gz PBLFMZORJUGLJD-UKRRQHHQSA-N 2 1 358.450 0.068 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215568397 1224006625 /nfs/dbraw/zinc/00/66/25/1224006625.db2.gz OEAFEFJWMUMMDC-BRWVUGGUSA-N 2 1 365.522 0.658 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598939 1224008557 /nfs/dbraw/zinc/00/85/57/1224008557.db2.gz KSYXKQJRXGCATM-JKIFEVAISA-N 2 1 365.478 0.815 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215606274 1224009308 /nfs/dbraw/zinc/00/93/08/1224009308.db2.gz TYXHKXSHZCDVIW-OQIJWPOYSA-N 2 1 372.513 0.857 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001215938826 1224025679 /nfs/dbraw/zinc/02/56/79/1224025679.db2.gz ODWZMRSRMJGPGM-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938502 1224025797 /nfs/dbraw/zinc/02/57/97/1224025797.db2.gz CCTQCSXPKMAEQM-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC000978183589 1248719518 /nfs/dbraw/zinc/71/95/18/1248719518.db2.gz VDCGMTCCXOUUCJ-NNPSNHGLSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC000978183589 1248719527 /nfs/dbraw/zinc/71/95/27/1248719527.db2.gz VDCGMTCCXOUUCJ-NNPSNHGLSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC000978183589 1248719532 /nfs/dbraw/zinc/71/95/32/1248719532.db2.gz VDCGMTCCXOUUCJ-NNPSNHGLSA-N 2 1 362.518 0.632 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081616 1224033443 /nfs/dbraw/zinc/03/34/43/1224033443.db2.gz KEADPEMORBGWEZ-RHSMWYFYSA-N 2 1 370.457 0.796 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853782 1224078926 /nfs/dbraw/zinc/07/89/26/1224078926.db2.gz LYMJEEHENUCBBX-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978321087 1248728904 /nfs/dbraw/zinc/72/89/04/1248728904.db2.gz NVJDZZXHBGLZHC-BVOVVCLWSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978321087 1248728913 /nfs/dbraw/zinc/72/89/13/1248728913.db2.gz NVJDZZXHBGLZHC-BVOVVCLWSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978321087 1248728923 /nfs/dbraw/zinc/72/89/23/1248728923.db2.gz NVJDZZXHBGLZHC-BVOVVCLWSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978321087 1248728933 /nfs/dbraw/zinc/72/89/33/1248728933.db2.gz NVJDZZXHBGLZHC-BVOVVCLWSA-N 2 1 359.474 0.298 20 0 FCADMP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000983929371 1248791081 /nfs/dbraw/zinc/79/10/81/1248791081.db2.gz NODHRBZNENJNMZ-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000985440107 1248923189 /nfs/dbraw/zinc/92/31/89/1248923189.db2.gz FJQOMFWZBDIWKF-DLBZAZTESA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000985440107 1248923198 /nfs/dbraw/zinc/92/31/98/1248923198.db2.gz FJQOMFWZBDIWKF-DLBZAZTESA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000985440107 1248923211 /nfs/dbraw/zinc/92/32/11/1248923211.db2.gz FJQOMFWZBDIWKF-DLBZAZTESA-N 2 1 365.522 0.665 20 0 FCADMP CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495844 1248943838 /nfs/dbraw/zinc/94/38/38/1248943838.db2.gz KXWOXIYSKQWWJI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495844 1248943849 /nfs/dbraw/zinc/94/38/49/1248943849.db2.gz KXWOXIYSKQWWJI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495844 1248943859 /nfs/dbraw/zinc/94/38/59/1248943859.db2.gz KXWOXIYSKQWWJI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000985495844 1248943864 /nfs/dbraw/zinc/94/38/64/1248943864.db2.gz KXWOXIYSKQWWJI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000993876367 1250037767 /nfs/dbraw/zinc/03/77/67/1250037767.db2.gz WQYREAHPDFQGAC-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000993876367 1250037778 /nfs/dbraw/zinc/03/77/78/1250037778.db2.gz WQYREAHPDFQGAC-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000993876367 1250037783 /nfs/dbraw/zinc/03/77/83/1250037783.db2.gz WQYREAHPDFQGAC-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000993876367 1250037802 /nfs/dbraw/zinc/03/78/02/1250037802.db2.gz WQYREAHPDFQGAC-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986063 1245316629 /nfs/dbraw/zinc/31/66/29/1245316629.db2.gz FCWNYXAIPXNXPK-BRWVUGGUSA-N 2 1 374.441 0.317 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986063 1245316632 /nfs/dbraw/zinc/31/66/32/1245316632.db2.gz FCWNYXAIPXNXPK-BRWVUGGUSA-N 2 1 374.441 0.317 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4nonc43)C2)CC1 ZINC000847508490 1245342268 /nfs/dbraw/zinc/34/22/68/1245342268.db2.gz CPNQGICCZWLYCX-GFCCVEGCSA-N 2 1 372.429 0.446 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000848931891 1245387766 /nfs/dbraw/zinc/38/77/66/1245387766.db2.gz IHHRIHQPPWYCAX-NCOADZHNSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848931891 1245387771 /nfs/dbraw/zinc/38/77/71/1245387771.db2.gz IHHRIHQPPWYCAX-NCOADZHNSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848931891 1245387775 /nfs/dbraw/zinc/38/77/75/1245387775.db2.gz IHHRIHQPPWYCAX-NCOADZHNSA-N 2 1 364.490 0.099 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000891538195 1245453324 /nfs/dbraw/zinc/45/33/24/1245453324.db2.gz SOWPXVADXDRGDH-UHFFFAOYSA-N 2 1 373.501 0.684 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891569999 1245455178 /nfs/dbraw/zinc/45/51/78/1245455178.db2.gz VRHMZVRXFIWLFT-ABSDTBQOSA-N 2 1 372.517 0.843 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563254 1245455607 /nfs/dbraw/zinc/45/56/07/1245455607.db2.gz BRVQHQXSJBSKHL-DLBZAZTESA-N 2 1 367.538 0.470 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@H]21 ZINC000911517258 1245504628 /nfs/dbraw/zinc/50/46/28/1245504628.db2.gz QZIANCLOUSRWMT-DZOHQFGASA-N 2 1 356.470 0.670 20 0 FCADMP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282238 1245705582 /nfs/dbraw/zinc/70/55/82/1245705582.db2.gz UGRNZYXWFJBWOS-HZPDHXFCSA-N 2 1 365.474 0.612 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000923328067 1245709112 /nfs/dbraw/zinc/70/91/12/1245709112.db2.gz JNMAZPHEIUVDRE-WNRNVDISSA-N 2 1 369.506 0.123 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400079 1245714380 /nfs/dbraw/zinc/71/43/80/1245714380.db2.gz WKHIJNTYKAUGGF-JKSUJKDBSA-N 3 1 360.506 0.377 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923400076 1245715495 /nfs/dbraw/zinc/71/54/95/1245715495.db2.gz WKHIJNTYKAUGGF-CVEARBPZSA-N 3 1 360.506 0.377 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000940310529 1246278202 /nfs/dbraw/zinc/27/82/02/1246278202.db2.gz BVUDXBDDVJOHSP-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000940310529 1246278209 /nfs/dbraw/zinc/27/82/09/1246278209.db2.gz BVUDXBDDVJOHSP-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941375230 1246583962 /nfs/dbraw/zinc/58/39/62/1246583962.db2.gz LSCPFMFSHKMUBN-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941375938 1246585706 /nfs/dbraw/zinc/58/57/06/1246585706.db2.gz XFIJUACEXGAJIE-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941377523 1246586717 /nfs/dbraw/zinc/58/67/17/1246586717.db2.gz MHGYQYMWCQWLIY-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000941377523 1246586722 /nfs/dbraw/zinc/58/67/22/1246586722.db2.gz MHGYQYMWCQWLIY-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC000941377523 1246586725 /nfs/dbraw/zinc/58/67/25/1246586725.db2.gz MHGYQYMWCQWLIY-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553414 1247128849 /nfs/dbraw/zinc/12/88/49/1247128849.db2.gz WWGOLILTOPPVNN-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000942595690 1247152314 /nfs/dbraw/zinc/15/23/14/1247152314.db2.gz FKAYRPMCKCWXRT-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC000942595690 1247152320 /nfs/dbraw/zinc/15/23/20/1247152320.db2.gz FKAYRPMCKCWXRT-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC000942595690 1247152326 /nfs/dbraw/zinc/15/23/26/1247152326.db2.gz FKAYRPMCKCWXRT-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[NH+]2C)O1 ZINC000944210294 1247501365 /nfs/dbraw/zinc/50/13/65/1247501365.db2.gz LOEBIDCDUPPNJD-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[NH+]2C)O1 ZINC000944210294 1247501373 /nfs/dbraw/zinc/50/13/73/1247501373.db2.gz LOEBIDCDUPPNJD-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)O1 ZINC000944210294 1247501376 /nfs/dbraw/zinc/50/13/76/1247501376.db2.gz LOEBIDCDUPPNJD-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)O1 ZINC000944210294 1247501383 /nfs/dbraw/zinc/50/13/83/1247501383.db2.gz LOEBIDCDUPPNJD-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001327813984 1265433219 /nfs/dbraw/zinc/43/32/19/1265433219.db2.gz UDXYYROZMHMNOP-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001327813984 1265433224 /nfs/dbraw/zinc/43/32/24/1265433224.db2.gz UDXYYROZMHMNOP-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC[N@H+]1C ZINC000946841892 1248040399 /nfs/dbraw/zinc/04/03/99/1248040399.db2.gz FJVYAKZBXFXUOM-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+]1C ZINC000976758265 1248391759 /nfs/dbraw/zinc/39/17/59/1248391759.db2.gz YHUIFNCYYRIFGV-BGGRMZJKSA-N 2 1 371.485 0.817 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335612 1250385862 /nfs/dbraw/zinc/38/58/62/1250385862.db2.gz JXBQLFINDBJJNZ-HZPDHXFCSA-N 2 1 362.518 0.777 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1C ZINC001328272710 1265519391 /nfs/dbraw/zinc/51/93/91/1265519391.db2.gz PLNKQMQTKWLDQD-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1C ZINC001328272710 1265519393 /nfs/dbraw/zinc/51/93/93/1265519393.db2.gz PLNKQMQTKWLDQD-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)C1 ZINC000995307216 1250793135 /nfs/dbraw/zinc/79/31/35/1250793135.db2.gz PURCRMRJAYQJIX-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001328410555 1265541114 /nfs/dbraw/zinc/54/11/14/1265541114.db2.gz RGQPZBYAYCGSLT-SFHVURJKSA-N 2 1 367.538 0.567 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC000995908229 1251047857 /nfs/dbraw/zinc/04/78/57/1251047857.db2.gz JUOPBVLLESJJMF-LTIDMASMSA-N 2 1 360.502 0.957 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956934 1251091939 /nfs/dbraw/zinc/09/19/39/1251091939.db2.gz IRXYNBXCFMXETA-KBRIMQKVSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)cn1 ZINC000995956934 1251091943 /nfs/dbraw/zinc/09/19/43/1251091943.db2.gz IRXYNBXCFMXETA-KBRIMQKVSA-N 2 1 361.490 0.831 20 0 FCADMP CCOCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+](C)C(C)C ZINC001516608455 1265560759 /nfs/dbraw/zinc/56/07/59/1265560759.db2.gz BYNXLLIPKVXCQY-MRXNPFEDSA-N 2 1 366.510 0.676 20 0 FCADMP CCOCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+](C)C(C)C ZINC001516608455 1265560766 /nfs/dbraw/zinc/56/07/66/1265560766.db2.gz BYNXLLIPKVXCQY-MRXNPFEDSA-N 2 1 366.510 0.676 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+](C)C(C)C ZINC001516608455 1265560774 /nfs/dbraw/zinc/56/07/74/1265560774.db2.gz BYNXLLIPKVXCQY-MRXNPFEDSA-N 2 1 366.510 0.676 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+](C)C(C)C ZINC001516608455 1265560785 /nfs/dbraw/zinc/56/07/85/1265560785.db2.gz BYNXLLIPKVXCQY-MRXNPFEDSA-N 2 1 366.510 0.676 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC000996538727 1251374088 /nfs/dbraw/zinc/37/40/88/1251374088.db2.gz NTQZCGBWOLWROO-YVSFHVDLSA-N 2 1 360.502 0.815 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000996542864 1251375929 /nfs/dbraw/zinc/37/59/29/1251375929.db2.gz BOQJRBVRYRTUHF-NCOADZHNSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000996542864 1251375938 /nfs/dbraw/zinc/37/59/38/1251375938.db2.gz BOQJRBVRYRTUHF-NCOADZHNSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000996542864 1251375946 /nfs/dbraw/zinc/37/59/46/1251375946.db2.gz BOQJRBVRYRTUHF-NCOADZHNSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC000996578604 1251395379 /nfs/dbraw/zinc/39/53/79/1251395379.db2.gz ROVCMCVPWNVWAW-QZWWFDLISA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000996578604 1251395386 /nfs/dbraw/zinc/39/53/86/1251395386.db2.gz ROVCMCVPWNVWAW-QZWWFDLISA-N 2 1 359.474 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC000996603527 1251402561 /nfs/dbraw/zinc/40/25/61/1251402561.db2.gz OLBDJSZTVNRRNF-LSDHHAIUSA-N 2 1 364.494 0.947 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC000996603527 1251402566 /nfs/dbraw/zinc/40/25/66/1251402566.db2.gz OLBDJSZTVNRRNF-LSDHHAIUSA-N 2 1 364.494 0.947 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)ccc1N1CC[NH+](C)CC1 ZINC001516967607 1265579089 /nfs/dbraw/zinc/57/90/89/1265579089.db2.gz UGVVIFWKGVMMDZ-INIZCTEOSA-N 2 1 359.474 0.506 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1N1CC[NH+](C)CC1 ZINC001516967607 1265579094 /nfs/dbraw/zinc/57/90/94/1265579094.db2.gz UGVVIFWKGVMMDZ-INIZCTEOSA-N 2 1 359.474 0.506 20 0 FCADMP COc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC000997861095 1251728339 /nfs/dbraw/zinc/72/83/39/1251728339.db2.gz UOUBFGMIPDNDST-CZUORRHYSA-N 2 1 366.462 0.731 20 0 FCADMP COc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC000997861095 1251728346 /nfs/dbraw/zinc/72/83/46/1251728346.db2.gz UOUBFGMIPDNDST-CZUORRHYSA-N 2 1 366.462 0.731 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC000998625637 1251927868 /nfs/dbraw/zinc/92/78/68/1251927868.db2.gz OWNCXCBQOQWGBH-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC000998625637 1251927878 /nfs/dbraw/zinc/92/78/78/1251927878.db2.gz OWNCXCBQOQWGBH-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998657607 1251942336 /nfs/dbraw/zinc/94/23/36/1251942336.db2.gz YKNHCYHANQIZMK-PMPSAXMXSA-N 2 1 357.458 0.535 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)CC2)CC[N@H+]1C ZINC001000159453 1252270919 /nfs/dbraw/zinc/27/09/19/1252270919.db2.gz AKNXMBRGAHZGHW-DJIMGWMZSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001001870945 1252385114 /nfs/dbraw/zinc/38/51/14/1252385114.db2.gz QVDBIBWFVZHMLK-MSOLQXFVSA-N 2 1 358.486 0.645 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001001878958 1252388164 /nfs/dbraw/zinc/38/81/64/1252388164.db2.gz GRXWEHVWXWUDFO-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001001878958 1252388171 /nfs/dbraw/zinc/38/81/71/1252388171.db2.gz GRXWEHVWXWUDFO-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001001878958 1252388179 /nfs/dbraw/zinc/38/81/79/1252388179.db2.gz GRXWEHVWXWUDFO-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001001878958 1252388187 /nfs/dbraw/zinc/38/81/87/1252388187.db2.gz GRXWEHVWXWUDFO-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001001878958 1252388197 /nfs/dbraw/zinc/38/81/97/1252388197.db2.gz GRXWEHVWXWUDFO-HYVNUMGLSA-N 2 1 366.506 0.153 20 0 FCADMP Cc1nccn1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002528245 1252590127 /nfs/dbraw/zinc/59/01/27/1252590127.db2.gz MNBWXWMOFSYFRB-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002528245 1252590133 /nfs/dbraw/zinc/59/01/33/1252590133.db2.gz MNBWXWMOFSYFRB-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002528245 1252590138 /nfs/dbraw/zinc/59/01/38/1252590138.db2.gz MNBWXWMOFSYFRB-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002843922 1252703184 /nfs/dbraw/zinc/70/31/84/1252703184.db2.gz AXYDMWGNTZRTLC-XYPHTWIQSA-N 2 1 366.506 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@H+]1C ZINC001003224419 1252814872 /nfs/dbraw/zinc/81/48/72/1252814872.db2.gz IKDANFBZBGRIIS-CXAGYDPISA-N 2 1 355.442 0.863 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@H+]1C ZINC001003391605 1252886132 /nfs/dbraw/zinc/88/61/32/1252886132.db2.gz OPIDDPAIWYICRH-CXAGYDPISA-N 2 1 355.442 0.863 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667312 1253046315 /nfs/dbraw/zinc/04/63/15/1253046315.db2.gz KIYJVKACRSTBKJ-QGTPRVQTSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667312 1253046323 /nfs/dbraw/zinc/04/63/23/1253046323.db2.gz KIYJVKACRSTBKJ-QGTPRVQTSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001026496560 1253846258 /nfs/dbraw/zinc/84/62/58/1253846258.db2.gz KDQWMSQVWSGTBD-PRLABOORSA-N 2 1 364.490 0.493 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001029742453 1253870367 /nfs/dbraw/zinc/87/03/67/1253870367.db2.gz TVNMJYWHRJPTLT-QLFBSQMISA-N 2 1 364.494 0.119 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001029742453 1253870380 /nfs/dbraw/zinc/87/03/80/1253870380.db2.gz TVNMJYWHRJPTLT-QLFBSQMISA-N 2 1 364.494 0.119 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001029742453 1253870388 /nfs/dbraw/zinc/87/03/88/1253870388.db2.gz TVNMJYWHRJPTLT-QLFBSQMISA-N 2 1 364.494 0.119 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001031681539 1253886204 /nfs/dbraw/zinc/88/62/04/1253886204.db2.gz WVXIAHVOZYYGFC-RDTXWAMCSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001031681539 1253886211 /nfs/dbraw/zinc/88/62/11/1253886211.db2.gz WVXIAHVOZYYGFC-RDTXWAMCSA-N 2 1 358.486 0.934 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001032412069 1253919727 /nfs/dbraw/zinc/91/97/27/1253919727.db2.gz HAQCEUKZKJIXBT-XLAORIBOSA-N 2 1 358.486 0.901 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001032412069 1253919736 /nfs/dbraw/zinc/91/97/36/1253919736.db2.gz HAQCEUKZKJIXBT-XLAORIBOSA-N 2 1 358.486 0.901 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccn(C)c(=O)c2)CC[NH+]1C ZINC001032412069 1253919746 /nfs/dbraw/zinc/91/97/46/1253919746.db2.gz HAQCEUKZKJIXBT-XLAORIBOSA-N 2 1 358.486 0.901 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccn(C)c(=O)c2)CC[NH+]1C ZINC001032412069 1253919752 /nfs/dbraw/zinc/91/97/52/1253919752.db2.gz HAQCEUKZKJIXBT-XLAORIBOSA-N 2 1 358.486 0.901 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091675 1253941414 /nfs/dbraw/zinc/94/14/14/1253941414.db2.gz NABJRNWVMSMGFB-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091675 1253941440 /nfs/dbraw/zinc/94/14/40/1253941440.db2.gz NABJRNWVMSMGFB-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001033185749 1253947416 /nfs/dbraw/zinc/94/74/16/1253947416.db2.gz PRPDAJVKFGSCHZ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001033185749 1253947421 /nfs/dbraw/zinc/94/74/21/1253947421.db2.gz PRPDAJVKFGSCHZ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001033185749 1253947428 /nfs/dbraw/zinc/94/74/28/1253947428.db2.gz PRPDAJVKFGSCHZ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001033185749 1253947435 /nfs/dbraw/zinc/94/74/35/1253947435.db2.gz PRPDAJVKFGSCHZ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001034648530 1253999439 /nfs/dbraw/zinc/99/94/39/1253999439.db2.gz KDQWMSQVWSGTBD-KLHDSHLOSA-N 2 1 364.490 0.493 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001034647624 1253999537 /nfs/dbraw/zinc/99/95/37/1253999537.db2.gz NZGQUDYYZKAFTQ-QBPKDAKJSA-N 2 1 366.506 0.202 20 0 FCADMP CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001034674166 1254000424 /nfs/dbraw/zinc/00/04/24/1254000424.db2.gz FZBRNNMXIBECJL-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001034674166 1254000431 /nfs/dbraw/zinc/00/04/31/1254000431.db2.gz FZBRNNMXIBECJL-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@@H+]1C ZINC001034941533 1254011582 /nfs/dbraw/zinc/01/15/82/1254011582.db2.gz URZHQVYYAWYRLF-OWCLPIDISA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@H+]1C ZINC001034941533 1254011600 /nfs/dbraw/zinc/01/16/00/1254011600.db2.gz URZHQVYYAWYRLF-OWCLPIDISA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035709160 1254057369 /nfs/dbraw/zinc/05/73/69/1254057369.db2.gz QNQTYESBEUQPOV-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732483 1254112118 /nfs/dbraw/zinc/11/21/18/1254112118.db2.gz RNHQJHDTBZZMSE-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732483 1254112126 /nfs/dbraw/zinc/11/21/26/1254112126.db2.gz RNHQJHDTBZZMSE-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061675686 1254203525 /nfs/dbraw/zinc/20/35/25/1254203525.db2.gz SOGSRMFBVYZYOW-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061675686 1254203530 /nfs/dbraw/zinc/20/35/30/1254203530.db2.gz SOGSRMFBVYZYOW-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061675686 1254203535 /nfs/dbraw/zinc/20/35/35/1254203535.db2.gz SOGSRMFBVYZYOW-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063494234 1254348940 /nfs/dbraw/zinc/34/89/40/1254348940.db2.gz GLBPXDYKOVIMDB-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063494234 1254348948 /nfs/dbraw/zinc/34/89/48/1254348948.db2.gz GLBPXDYKOVIMDB-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494234 1254348964 /nfs/dbraw/zinc/34/89/64/1254348964.db2.gz GLBPXDYKOVIMDB-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494234 1254348980 /nfs/dbraw/zinc/34/89/80/1254348980.db2.gz GLBPXDYKOVIMDB-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065206578 1254488119 /nfs/dbraw/zinc/48/81/19/1254488119.db2.gz MASXEUWAYKNLAC-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065206578 1254488122 /nfs/dbraw/zinc/48/81/22/1254488122.db2.gz MASXEUWAYKNLAC-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065206578 1254488128 /nfs/dbraw/zinc/48/81/28/1254488128.db2.gz MASXEUWAYKNLAC-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065406892 1254527545 /nfs/dbraw/zinc/52/75/45/1254527545.db2.gz OVIBIDCXKDUYPM-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065406892 1254527567 /nfs/dbraw/zinc/52/75/67/1254527567.db2.gz OVIBIDCXKDUYPM-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065406892 1254527582 /nfs/dbraw/zinc/52/75/82/1254527582.db2.gz OVIBIDCXKDUYPM-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001075813525 1254619598 /nfs/dbraw/zinc/61/95/98/1254619598.db2.gz KVBFYDRGEDQPMS-DZJNRPSUSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001075813525 1254619606 /nfs/dbraw/zinc/61/96/06/1254619606.db2.gz KVBFYDRGEDQPMS-DZJNRPSUSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001075813525 1254619616 /nfs/dbraw/zinc/61/96/16/1254619616.db2.gz KVBFYDRGEDQPMS-DZJNRPSUSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001075813525 1254619627 /nfs/dbraw/zinc/61/96/27/1254619627.db2.gz KVBFYDRGEDQPMS-DZJNRPSUSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC001077571518 1254710104 /nfs/dbraw/zinc/71/01/04/1254710104.db2.gz PAYAKHFDTWPLGR-ARLBYUKCSA-N 2 1 365.478 0.202 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC001077571518 1254710123 /nfs/dbraw/zinc/71/01/23/1254710123.db2.gz PAYAKHFDTWPLGR-ARLBYUKCSA-N 2 1 365.478 0.202 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)n1 ZINC001077571518 1254710136 /nfs/dbraw/zinc/71/01/36/1254710136.db2.gz PAYAKHFDTWPLGR-ARLBYUKCSA-N 2 1 365.478 0.202 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)n1 ZINC001077571518 1254710140 /nfs/dbraw/zinc/71/01/40/1254710140.db2.gz PAYAKHFDTWPLGR-ARLBYUKCSA-N 2 1 365.478 0.202 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077582507 1254732994 /nfs/dbraw/zinc/73/29/94/1254732994.db2.gz JJINNJNMUFMUGL-IAGOWNOFSA-N 2 1 365.474 0.933 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001077582507 1254733002 /nfs/dbraw/zinc/73/30/02/1254733002.db2.gz JJINNJNMUFMUGL-IAGOWNOFSA-N 2 1 365.474 0.933 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001077618934 1254786905 /nfs/dbraw/zinc/78/69/05/1254786905.db2.gz WCOPRYCRKLUEMS-GUDVDZBRSA-N 2 1 361.486 0.877 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001077679419 1254860991 /nfs/dbraw/zinc/86/09/91/1254860991.db2.gz QVQUUBGWGWXZES-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001077679419 1254861007 /nfs/dbraw/zinc/86/10/07/1254861007.db2.gz QVQUUBGWGWXZES-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001077679419 1254861025 /nfs/dbraw/zinc/86/10/25/1254861025.db2.gz QVQUUBGWGWXZES-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001077679419 1254861028 /nfs/dbraw/zinc/86/10/28/1254861028.db2.gz QVQUUBGWGWXZES-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001077765641 1254961028 /nfs/dbraw/zinc/96/10/28/1254961028.db2.gz WXLPXGYNWYUYJF-GVDBMIGSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001077765641 1254961034 /nfs/dbraw/zinc/96/10/34/1254961034.db2.gz WXLPXGYNWYUYJF-GVDBMIGSSA-N 2 1 364.490 0.985 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175800 1255289571 /nfs/dbraw/zinc/28/95/71/1255289571.db2.gz MSUMOPRGSOHFOF-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175800 1255289578 /nfs/dbraw/zinc/28/95/78/1255289578.db2.gz MSUMOPRGSOHFOF-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175800 1255289586 /nfs/dbraw/zinc/28/95/86/1255289586.db2.gz MSUMOPRGSOHFOF-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001078227213 1255340380 /nfs/dbraw/zinc/34/03/80/1255340380.db2.gz OIZMHDZGNIHSNH-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001078227213 1255340386 /nfs/dbraw/zinc/34/03/86/1255340386.db2.gz OIZMHDZGNIHSNH-QZTJIDSGSA-N 2 1 357.458 0.420 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nonc3C)C2)CC[N@@H+]1C ZINC001078403505 1255407630 /nfs/dbraw/zinc/40/76/30/1255407630.db2.gz ARIJPDMOPCROQK-YQQAZPJKSA-N 2 1 365.478 0.815 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nonc3C)C2)CC[N@H+]1C ZINC001078403505 1255407635 /nfs/dbraw/zinc/40/76/35/1255407635.db2.gz ARIJPDMOPCROQK-YQQAZPJKSA-N 2 1 365.478 0.815 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)nc1 ZINC001078405570 1255408556 /nfs/dbraw/zinc/40/85/56/1255408556.db2.gz RMBAVIXTSJCXCX-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)nc1 ZINC001078405570 1255408559 /nfs/dbraw/zinc/40/85/59/1255408559.db2.gz RMBAVIXTSJCXCX-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405591 1255409138 /nfs/dbraw/zinc/40/91/38/1255409138.db2.gz SFNVJDYMDKQODD-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418593 1255410637 /nfs/dbraw/zinc/41/06/37/1255410637.db2.gz RWNKQAPHDLNGLD-KBRIMQKVSA-N 2 1 366.462 0.409 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418593 1255410641 /nfs/dbraw/zinc/41/06/41/1255410641.db2.gz RWNKQAPHDLNGLD-KBRIMQKVSA-N 2 1 366.462 0.409 20 0 FCADMP CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079136791 1255450175 /nfs/dbraw/zinc/45/01/75/1255450175.db2.gz CNNOUZBTNLERMV-NXWXRZEISA-N 2 1 361.486 0.799 20 0 FCADMP CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079136791 1255450177 /nfs/dbraw/zinc/45/01/77/1255450177.db2.gz CNNOUZBTNLERMV-NXWXRZEISA-N 2 1 361.486 0.799 20 0 FCADMP CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079136791 1255450182 /nfs/dbraw/zinc/45/01/82/1255450182.db2.gz CNNOUZBTNLERMV-NXWXRZEISA-N 2 1 361.486 0.799 20 0 FCADMP CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079136791 1255450188 /nfs/dbraw/zinc/45/01/88/1255450188.db2.gz CNNOUZBTNLERMV-NXWXRZEISA-N 2 1 361.486 0.799 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844826 1255630002 /nfs/dbraw/zinc/63/00/02/1255630002.db2.gz DAETXSKEDMHGEM-BRWVUGGUSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844826 1255630011 /nfs/dbraw/zinc/63/00/11/1255630011.db2.gz DAETXSKEDMHGEM-BRWVUGGUSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001079844826 1255630018 /nfs/dbraw/zinc/63/00/18/1255630018.db2.gz DAETXSKEDMHGEM-BRWVUGGUSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949100 1255675581 /nfs/dbraw/zinc/67/55/81/1255675581.db2.gz OYLPPMLASTYYLZ-HZPDHXFCSA-N 2 1 363.506 0.324 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951269 1255679666 /nfs/dbraw/zinc/67/96/66/1255679666.db2.gz DBANIHAPYWZTPW-RRCSTGOVSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951269 1255679676 /nfs/dbraw/zinc/67/96/76/1255679676.db2.gz DBANIHAPYWZTPW-RRCSTGOVSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951269 1255679684 /nfs/dbraw/zinc/67/96/84/1255679684.db2.gz DBANIHAPYWZTPW-RRCSTGOVSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951269 1255679687 /nfs/dbraw/zinc/67/96/87/1255679687.db2.gz DBANIHAPYWZTPW-RRCSTGOVSA-N 2 1 365.478 0.466 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160997 1255765310 /nfs/dbraw/zinc/76/53/10/1255765310.db2.gz IHBYFFIDNSPSCY-QOQYCONBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160997 1255765314 /nfs/dbraw/zinc/76/53/14/1255765314.db2.gz IHBYFFIDNSPSCY-QOQYCONBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160997 1255765321 /nfs/dbraw/zinc/76/53/21/1255765321.db2.gz IHBYFFIDNSPSCY-QOQYCONBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160997 1255765327 /nfs/dbraw/zinc/76/53/27/1255765327.db2.gz IHBYFFIDNSPSCY-QOQYCONBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161173 1255765570 /nfs/dbraw/zinc/76/55/70/1255765570.db2.gz PLWQSNASVSWTQF-YFCUKEQTSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161173 1255765577 /nfs/dbraw/zinc/76/55/77/1255765577.db2.gz PLWQSNASVSWTQF-YFCUKEQTSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161173 1255765583 /nfs/dbraw/zinc/76/55/83/1255765583.db2.gz PLWQSNASVSWTQF-YFCUKEQTSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161173 1255765590 /nfs/dbraw/zinc/76/55/90/1255765590.db2.gz PLWQSNASVSWTQF-YFCUKEQTSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080332111 1255844771 /nfs/dbraw/zinc/84/47/71/1255844771.db2.gz IPGWTPZQGAVZDQ-FXUDXRNXSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080332111 1255844785 /nfs/dbraw/zinc/84/47/85/1255844785.db2.gz IPGWTPZQGAVZDQ-FXUDXRNXSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080332111 1255844791 /nfs/dbraw/zinc/84/47/91/1255844791.db2.gz IPGWTPZQGAVZDQ-FXUDXRNXSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559179 1255930129 /nfs/dbraw/zinc/93/01/29/1255930129.db2.gz YVBOHVPYWQHXCC-BPQIPLTHSA-N 2 1 363.506 0.412 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081658950 1256323746 /nfs/dbraw/zinc/32/37/46/1256323746.db2.gz GZNBWPCWYVTJGH-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081658950 1256323753 /nfs/dbraw/zinc/32/37/53/1256323753.db2.gz GZNBWPCWYVTJGH-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081658950 1256323760 /nfs/dbraw/zinc/32/37/60/1256323760.db2.gz GZNBWPCWYVTJGH-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081658950 1256323763 /nfs/dbraw/zinc/32/37/63/1256323763.db2.gz GZNBWPCWYVTJGH-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001081952008 1256469966 /nfs/dbraw/zinc/46/99/66/1256469966.db2.gz PHGGUKHAUYDXGY-YXJHDRRASA-N 2 1 362.474 0.614 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001081952008 1256469968 /nfs/dbraw/zinc/46/99/68/1256469968.db2.gz PHGGUKHAUYDXGY-YXJHDRRASA-N 2 1 362.474 0.614 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368458 1256717405 /nfs/dbraw/zinc/71/74/05/1256717405.db2.gz CEGJSMJFJSOTMI-ATZDWAIDSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368458 1256717409 /nfs/dbraw/zinc/71/74/09/1256717409.db2.gz CEGJSMJFJSOTMI-ATZDWAIDSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368458 1256717413 /nfs/dbraw/zinc/71/74/13/1256717413.db2.gz CEGJSMJFJSOTMI-ATZDWAIDSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368458 1256717417 /nfs/dbraw/zinc/71/74/17/1256717417.db2.gz CEGJSMJFJSOTMI-ATZDWAIDSA-N 2 1 359.470 0.984 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369932 1256718820 /nfs/dbraw/zinc/71/88/20/1256718820.db2.gz KKOMWAAJOAZUSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369932 1256718823 /nfs/dbraw/zinc/71/88/23/1256718823.db2.gz KKOMWAAJOAZUSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369932 1256718829 /nfs/dbraw/zinc/71/88/29/1256718829.db2.gz KKOMWAAJOAZUSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369932 1256718833 /nfs/dbraw/zinc/71/88/33/1256718833.db2.gz KKOMWAAJOAZUSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371754 1256722782 /nfs/dbraw/zinc/72/27/82/1256722782.db2.gz ZGJVSCXLFXZUKG-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371754 1256722784 /nfs/dbraw/zinc/72/27/84/1256722784.db2.gz ZGJVSCXLFXZUKG-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001082458155 1256770873 /nfs/dbraw/zinc/77/08/73/1256770873.db2.gz ADDZQYYFIZVJOH-ZMYBRWDISA-N 2 1 359.470 0.984 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001082458155 1256770879 /nfs/dbraw/zinc/77/08/79/1256770879.db2.gz ADDZQYYFIZVJOH-ZMYBRWDISA-N 2 1 359.470 0.984 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082507972 1256793553 /nfs/dbraw/zinc/79/35/53/1256793553.db2.gz LOEFNKUQUNUIBZ-FVQBIDKESA-N 2 1 361.494 0.817 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082507972 1256793558 /nfs/dbraw/zinc/79/35/58/1256793558.db2.gz LOEFNKUQUNUIBZ-FVQBIDKESA-N 2 1 361.494 0.817 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082507387 1256793791 /nfs/dbraw/zinc/79/37/91/1256793791.db2.gz OVUPNUJCSJUFDT-BZUAXINKSA-N 2 1 363.510 0.892 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507387 1256793796 /nfs/dbraw/zinc/79/37/96/1256793796.db2.gz OVUPNUJCSJUFDT-BZUAXINKSA-N 2 1 363.510 0.892 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082557054 1256851894 /nfs/dbraw/zinc/85/18/94/1256851894.db2.gz MXXKMKYMTXRROD-QLFBSQMISA-N 2 1 364.494 0.023 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557931 1256854697 /nfs/dbraw/zinc/85/46/97/1256854697.db2.gz PKJWONIISDFTPH-BMFZPTHFSA-N 2 1 360.462 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082559020 1256855903 /nfs/dbraw/zinc/85/59/03/1256855903.db2.gz PWDKBELAJGHSHS-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001082596559 1256908571 /nfs/dbraw/zinc/90/85/71/1256908571.db2.gz PKXHHYDBHKBRAY-OAGGEKHMSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001082596559 1256908574 /nfs/dbraw/zinc/90/85/74/1256908574.db2.gz PKXHHYDBHKBRAY-OAGGEKHMSA-N 2 1 363.510 0.894 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1 ZINC001082646215 1256950450 /nfs/dbraw/zinc/95/04/50/1256950450.db2.gz DQSONHDYASPFNG-ZMSDIMECSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082647766 1256952344 /nfs/dbraw/zinc/95/23/44/1256952344.db2.gz FYCJBLXMSPJLQI-FVQBIDKESA-N 2 1 359.474 0.477 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653488 1256956712 /nfs/dbraw/zinc/95/67/12/1256956712.db2.gz NAUGSZWNMZJQRN-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082742628 1257024289 /nfs/dbraw/zinc/02/42/89/1257024289.db2.gz MQVSNRKPKBBRTH-XNJGSVPQSA-N 2 1 367.473 0.359 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082742628 1257024296 /nfs/dbraw/zinc/02/42/96/1257024296.db2.gz MQVSNRKPKBBRTH-XNJGSVPQSA-N 2 1 367.473 0.359 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C)C(N)=O ZINC001082745685 1257026878 /nfs/dbraw/zinc/02/68/78/1257026878.db2.gz MGMNGNNWRFKWCO-XNRPHZJLSA-N 2 1 363.462 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082861775 1257113255 /nfs/dbraw/zinc/11/32/55/1257113255.db2.gz OCQSEPSXDYEYAM-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082861775 1257113260 /nfs/dbraw/zinc/11/32/60/1257113260.db2.gz OCQSEPSXDYEYAM-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082861742 1257114026 /nfs/dbraw/zinc/11/40/26/1257114026.db2.gz NCZVIQGNCNLONW-QLFBSQMISA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082861742 1257114028 /nfs/dbraw/zinc/11/40/28/1257114028.db2.gz NCZVIQGNCNLONW-QLFBSQMISA-N 2 1 362.478 0.087 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001082943268 1257160765 /nfs/dbraw/zinc/16/07/65/1257160765.db2.gz AZEXPEJEULEPHX-OAGGEKHMSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082943268 1257160769 /nfs/dbraw/zinc/16/07/69/1257160769.db2.gz AZEXPEJEULEPHX-OAGGEKHMSA-N 2 1 363.510 0.894 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105990 1257321046 /nfs/dbraw/zinc/32/10/46/1257321046.db2.gz DUOJIALHLXTYRD-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP CN1CCC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105990 1257321054 /nfs/dbraw/zinc/32/10/54/1257321054.db2.gz DUOJIALHLXTYRD-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP CN1CCC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083105990 1257321063 /nfs/dbraw/zinc/32/10/63/1257321063.db2.gz DUOJIALHLXTYRD-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083645269 1257463416 /nfs/dbraw/zinc/46/34/16/1257463416.db2.gz SKFYUSLXFJVTQB-MSOLQXFVSA-N 2 1 370.453 0.530 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083645269 1257463421 /nfs/dbraw/zinc/46/34/21/1257463421.db2.gz SKFYUSLXFJVTQB-MSOLQXFVSA-N 2 1 370.453 0.530 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)n1 ZINC001083645409 1257463706 /nfs/dbraw/zinc/46/37/06/1257463706.db2.gz ZHUDTDOTCHNXER-SJORKVTESA-N 2 1 369.429 0.018 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)n1 ZINC001083645409 1257463709 /nfs/dbraw/zinc/46/37/09/1257463709.db2.gz ZHUDTDOTCHNXER-SJORKVTESA-N 2 1 369.429 0.018 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781418 1257526754 /nfs/dbraw/zinc/52/67/54/1257526754.db2.gz GQIARBGMGANNLZ-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781418 1257526761 /nfs/dbraw/zinc/52/67/61/1257526761.db2.gz GQIARBGMGANNLZ-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781418 1257526765 /nfs/dbraw/zinc/52/67/65/1257526765.db2.gz GQIARBGMGANNLZ-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781418 1257526768 /nfs/dbraw/zinc/52/67/68/1257526768.db2.gz GQIARBGMGANNLZ-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521424495 1266121036 /nfs/dbraw/zinc/12/10/36/1266121036.db2.gz GLFAYCOZMJPMHN-IJEWVQPXSA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521424495 1266121042 /nfs/dbraw/zinc/12/10/42/1266121042.db2.gz GLFAYCOZMJPMHN-IJEWVQPXSA-N 2 1 356.511 0.480 20 0 FCADMP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968634 1266123638 /nfs/dbraw/zinc/12/36/38/1266123638.db2.gz FGERTMLGZONDLT-PKOBYXMFSA-N 2 1 366.550 0.925 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833346 1257587586 /nfs/dbraw/zinc/58/75/86/1257587586.db2.gz WLHMZOBYWSIDLR-MSOLQXFVSA-N 2 1 364.490 0.939 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833346 1257587591 /nfs/dbraw/zinc/58/75/91/1257587591.db2.gz WLHMZOBYWSIDLR-MSOLQXFVSA-N 2 1 364.490 0.939 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1)OC ZINC001083895851 1257670593 /nfs/dbraw/zinc/67/05/93/1257670593.db2.gz JOVNJIDCTNRSNS-BBWFWOEESA-N 2 1 359.430 0.467 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1)OC ZINC001083895851 1257670599 /nfs/dbraw/zinc/67/05/99/1257670599.db2.gz JOVNJIDCTNRSNS-BBWFWOEESA-N 2 1 359.430 0.467 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896001 1257671764 /nfs/dbraw/zinc/67/17/64/1257671764.db2.gz QDPHMZLVQJTJHU-OLMNPRSZSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896001 1257671771 /nfs/dbraw/zinc/67/17/71/1257671771.db2.gz QDPHMZLVQJTJHU-OLMNPRSZSA-N 2 1 371.441 0.469 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083954759 1257743425 /nfs/dbraw/zinc/74/34/25/1257743425.db2.gz HJQRZVZERMKUFB-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083954759 1257743428 /nfs/dbraw/zinc/74/34/28/1257743428.db2.gz HJQRZVZERMKUFB-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083954759 1257743433 /nfs/dbraw/zinc/74/34/33/1257743433.db2.gz HJQRZVZERMKUFB-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)c1ccccc1 ZINC001083959574 1257749544 /nfs/dbraw/zinc/74/95/44/1257749544.db2.gz ZFLXNFYPQPDWSK-FGTMMUONSA-N 2 1 359.470 0.631 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001521557239 1266139717 /nfs/dbraw/zinc/13/97/17/1266139717.db2.gz ZKPQAALTQDQLGU-SMDDNHRTSA-N 2 1 372.263 0.952 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056761 1257869176 /nfs/dbraw/zinc/86/91/76/1257869176.db2.gz MMMJGCAMCQNPEO-XHSDSOJGSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056761 1257869184 /nfs/dbraw/zinc/86/91/84/1257869184.db2.gz MMMJGCAMCQNPEO-XHSDSOJGSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056761 1257869194 /nfs/dbraw/zinc/86/91/94/1257869194.db2.gz MMMJGCAMCQNPEO-XHSDSOJGSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056761 1257869204 /nfs/dbraw/zinc/86/92/04/1257869204.db2.gz MMMJGCAMCQNPEO-XHSDSOJGSA-N 2 1 363.458 0.187 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409903 1258087827 /nfs/dbraw/zinc/08/78/27/1258087827.db2.gz OIWMCWOEPLDDDT-HYVNUMGLSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409903 1258087833 /nfs/dbraw/zinc/08/78/33/1258087833.db2.gz OIWMCWOEPLDDDT-HYVNUMGLSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409903 1258087840 /nfs/dbraw/zinc/08/78/40/1258087840.db2.gz OIWMCWOEPLDDDT-HYVNUMGLSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001331164746 1266161642 /nfs/dbraw/zinc/16/16/42/1266161642.db2.gz KBCMOOJRVLGGIK-LZLYRXPVSA-N 2 1 360.502 0.842 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001084631490 1258210478 /nfs/dbraw/zinc/21/04/78/1258210478.db2.gz VNHRMHXCRDXYBX-HZPDHXFCSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661695 1258224480 /nfs/dbraw/zinc/22/44/80/1258224480.db2.gz FGVDSUVKDXWUKS-KBAYOESNSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661695 1258224484 /nfs/dbraw/zinc/22/44/84/1258224484.db2.gz FGVDSUVKDXWUKS-KBAYOESNSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001084661695 1258224488 /nfs/dbraw/zinc/22/44/88/1258224488.db2.gz FGVDSUVKDXWUKS-KBAYOESNSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197306 1266168600 /nfs/dbraw/zinc/16/86/00/1266168600.db2.gz PLRQVAVGFJXYJO-LAQRGFTBSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197306 1266168606 /nfs/dbraw/zinc/16/86/06/1266168606.db2.gz PLRQVAVGFJXYJO-LAQRGFTBSA-N 2 1 358.486 0.961 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766647 1258302470 /nfs/dbraw/zinc/30/24/70/1258302470.db2.gz IORFKCNCAYDJCY-QZTJIDSGSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766647 1258302479 /nfs/dbraw/zinc/30/24/79/1258302479.db2.gz IORFKCNCAYDJCY-QZTJIDSGSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001084773070 1258313217 /nfs/dbraw/zinc/31/32/17/1258313217.db2.gz BKDNDVZMMMAYOL-CGTJXYLNSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084773070 1258313225 /nfs/dbraw/zinc/31/32/25/1258313225.db2.gz BKDNDVZMMMAYOL-CGTJXYLNSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084773070 1258313231 /nfs/dbraw/zinc/31/32/31/1258313231.db2.gz BKDNDVZMMMAYOL-CGTJXYLNSA-N 2 1 358.486 0.760 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773563 1258315408 /nfs/dbraw/zinc/31/54/08/1258315408.db2.gz UUINMIPMOYTCRP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773563 1258315418 /nfs/dbraw/zinc/31/54/18/1258315418.db2.gz UUINMIPMOYTCRP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773563 1258315424 /nfs/dbraw/zinc/31/54/24/1258315424.db2.gz UUINMIPMOYTCRP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084773563 1258315434 /nfs/dbraw/zinc/31/54/34/1258315434.db2.gz UUINMIPMOYTCRP-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1nnc2cc(C[N@H+]3CC[C@@H]4CN(C(=O)[C@@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001084829899 1258375474 /nfs/dbraw/zinc/37/54/74/1258375474.db2.gz CVKHAVMIVXGZOY-GPMSIDNRSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3CC[C@@H]4CN(C(=O)[C@@H]5CC[N@H+](C)C5)[C@@H]4C3)ccc21 ZINC001084829899 1258375482 /nfs/dbraw/zinc/37/54/82/1258375482.db2.gz CVKHAVMIVXGZOY-GPMSIDNRSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3CC[C@@H]4CN(C(=O)[C@@H]5CC[N@@H+](C)C5)[C@@H]4C3)ccc21 ZINC001084829899 1258375489 /nfs/dbraw/zinc/37/54/89/1258375489.db2.gz CVKHAVMIVXGZOY-GPMSIDNRSA-N 2 1 368.485 0.953 20 0 FCADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001084957586 1258470023 /nfs/dbraw/zinc/47/00/23/1258470023.db2.gz IQRPOSDHOLXNED-QRQLOZEOSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001084957586 1258470025 /nfs/dbraw/zinc/47/00/25/1258470025.db2.gz IQRPOSDHOLXNED-QRQLOZEOSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001084957586 1258470028 /nfs/dbraw/zinc/47/00/28/1258470028.db2.gz IQRPOSDHOLXNED-QRQLOZEOSA-N 2 1 365.518 0.935 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)nn1 ZINC001085092827 1258584918 /nfs/dbraw/zinc/58/49/18/1258584918.db2.gz RMKNSUCPPKVRBG-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)nn1 ZINC001085092827 1258584922 /nfs/dbraw/zinc/58/49/22/1258584922.db2.gz RMKNSUCPPKVRBG-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)nn1 ZINC001085092827 1258584929 /nfs/dbraw/zinc/58/49/29/1258584929.db2.gz RMKNSUCPPKVRBG-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)nn1 ZINC001085092827 1258584934 /nfs/dbraw/zinc/58/49/34/1258584934.db2.gz RMKNSUCPPKVRBG-INMHGKMJSA-N 2 1 359.474 0.860 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001085159559 1258613894 /nfs/dbraw/zinc/61/38/94/1258613894.db2.gz ZDDIOABOYHJLRF-ZACQAIPSSA-N 2 1 364.494 0.243 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001085159559 1258613903 /nfs/dbraw/zinc/61/39/03/1258613903.db2.gz ZDDIOABOYHJLRF-ZACQAIPSSA-N 2 1 364.494 0.243 20 0 FCADMP CCC[C@@H]1CN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC001521877501 1266198604 /nfs/dbraw/zinc/19/86/04/1266198604.db2.gz UKYBKGLQFVWDMX-OAHLLOKOSA-N 2 1 352.479 0.844 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086734931 1258632747 /nfs/dbraw/zinc/63/27/47/1258632747.db2.gz ZDUDHLVDQIMJIM-LZWOXQAQSA-N 2 1 361.494 0.867 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171703 1258690544 /nfs/dbraw/zinc/69/05/44/1258690544.db2.gz CPOLFTVZVZKXDT-XHSDSOJGSA-N 2 1 358.490 0.752 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171703 1258690549 /nfs/dbraw/zinc/69/05/49/1258690549.db2.gz CPOLFTVZVZKXDT-XHSDSOJGSA-N 2 1 358.490 0.752 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)nn1 ZINC001088172101 1258693253 /nfs/dbraw/zinc/69/32/53/1258693253.db2.gz WDPGXJPIGLQUCK-CVEARBPZSA-N 2 1 371.485 0.861 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088211796 1258734285 /nfs/dbraw/zinc/73/42/85/1258734285.db2.gz AQWBYXMUQBDKNY-MSOLQXFVSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088749270 1258757187 /nfs/dbraw/zinc/75/71/87/1258757187.db2.gz SCCBIEWZTCILHB-CJNGLKHVSA-N 2 1 369.425 0.676 20 0 FCADMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC001331425835 1266214079 /nfs/dbraw/zinc/21/40/79/1266214079.db2.gz LDBLJVNJVBTYMZ-LJQANCHMSA-N 2 1 372.513 0.396 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100344949 1258908229 /nfs/dbraw/zinc/90/82/29/1258908229.db2.gz KIXKDWCLJBDBAW-PFSRBDOWSA-N 2 1 367.494 0.047 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666459 1258937259 /nfs/dbraw/zinc/93/72/59/1258937259.db2.gz LJLYBWLNTCCSPJ-JFIYKMOQSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106668156 1258937988 /nfs/dbraw/zinc/93/79/88/1258937988.db2.gz FTHQSHCYYZMHTP-HZPDHXFCSA-N 2 1 365.522 0.428 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766886 1258958129 /nfs/dbraw/zinc/95/81/29/1258958129.db2.gz WHFSLWSEZHXBTQ-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765645 1258958279 /nfs/dbraw/zinc/95/82/79/1258958279.db2.gz NEBOTKBORZPKRM-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804308 1258966617 /nfs/dbraw/zinc/96/66/17/1258966617.db2.gz LMYAJKKRVCZAFH-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001106810925 1258967309 /nfs/dbraw/zinc/96/73/09/1258967309.db2.gz JNIMASBQZDMUTB-CKEIUWERSA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106981041 1259010241 /nfs/dbraw/zinc/01/02/41/1259010241.db2.gz FIIAUNGUFDQMJF-OWCLPIDISA-N 2 1 367.538 0.720 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC001106986924 1259011413 /nfs/dbraw/zinc/01/14/13/1259011413.db2.gz JTCFIELKEJKJDC-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001107008940 1259017448 /nfs/dbraw/zinc/01/74/48/1259017448.db2.gz DAQNWLGYVJDWLF-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001107008940 1259017455 /nfs/dbraw/zinc/01/74/55/1259017455.db2.gz DAQNWLGYVJDWLF-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001107039214 1259023114 /nfs/dbraw/zinc/02/31/14/1259023114.db2.gz NCTKNMHCFXUJKL-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001107042567 1259023973 /nfs/dbraw/zinc/02/39/73/1259023973.db2.gz SEAWZZZDQRTHPL-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343277 1259056135 /nfs/dbraw/zinc/05/61/35/1259056135.db2.gz UMCVNKBUTPIIRX-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343277 1259056141 /nfs/dbraw/zinc/05/61/41/1259056141.db2.gz UMCVNKBUTPIIRX-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343277 1259056146 /nfs/dbraw/zinc/05/61/46/1259056146.db2.gz UMCVNKBUTPIIRX-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343277 1259056149 /nfs/dbraw/zinc/05/61/49/1259056149.db2.gz UMCVNKBUTPIIRX-FRQCXROJSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[C@@H]1C[NH+]2CCC1CC2 ZINC001107409592 1259078564 /nfs/dbraw/zinc/07/85/64/1259078564.db2.gz ZVERXOVMCLBBAY-QWFCFKBJSA-N 2 1 365.518 0.698 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2 ZINC001107436319 1259088395 /nfs/dbraw/zinc/08/83/95/1259088395.db2.gz VROQOGIPQMZIBL-ZHALLVOQSA-N 2 1 363.506 0.557 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC001107436319 1259088398 /nfs/dbraw/zinc/08/83/98/1259088398.db2.gz VROQOGIPQMZIBL-ZHALLVOQSA-N 2 1 363.506 0.557 20 0 FCADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2)[NH+](C)C ZINC001107555203 1259116027 /nfs/dbraw/zinc/11/60/27/1259116027.db2.gz XAQKMTLVEOHUDU-FRQCXROJSA-N 2 1 365.522 0.713 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579780 1259124277 /nfs/dbraw/zinc/12/42/77/1259124277.db2.gz OTUCXMLYCGIHQU-YQVWRLOYSA-N 2 1 369.506 0.077 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579780 1259124282 /nfs/dbraw/zinc/12/42/82/1259124282.db2.gz OTUCXMLYCGIHQU-YQVWRLOYSA-N 2 1 369.506 0.077 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCc3cnn(C)c3)CCO2)CC[N@@H+]1C ZINC001107953240 1259147232 /nfs/dbraw/zinc/14/72/32/1259147232.db2.gz VRVBBXGRYGULRE-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCc3cnn(C)c3)CCO2)CC[N@H+]1C ZINC001107953240 1259147236 /nfs/dbraw/zinc/14/72/36/1259147236.db2.gz VRVBBXGRYGULRE-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCc3cnn(C)c3)CCO2)CC[NH+]1C ZINC001107953240 1259147242 /nfs/dbraw/zinc/14/72/42/1259147242.db2.gz VRVBBXGRYGULRE-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCc3cnn(C)c3)CCO2)CC[NH+]1C ZINC001107953240 1259147246 /nfs/dbraw/zinc/14/72/46/1259147246.db2.gz VRVBBXGRYGULRE-SUMDDJOVSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCc3cnn(C)c3)CCO2)CC[N@@H+]1C ZINC001107953241 1259147555 /nfs/dbraw/zinc/14/75/55/1259147555.db2.gz VRVBBXGRYGULRE-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCc3cnn(C)c3)CCO2)CC[N@H+]1C ZINC001107953241 1259147559 /nfs/dbraw/zinc/14/75/59/1259147559.db2.gz VRVBBXGRYGULRE-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CCc3cnn(C)c3)CCO2)CC[NH+]1C ZINC001107953241 1259147561 /nfs/dbraw/zinc/14/75/61/1259147561.db2.gz VRVBBXGRYGULRE-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCc3cnn(C)c3)CCO2)CC[NH+]1C ZINC001107953241 1259147566 /nfs/dbraw/zinc/14/75/66/1259147566.db2.gz VRVBBXGRYGULRE-SZVBFZGTSA-N 2 1 363.506 0.510 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC001117981680 1259170439 /nfs/dbraw/zinc/17/04/39/1259170439.db2.gz ZCARFDIQJLVASF-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP Cc1ccccc1CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643644 1259182869 /nfs/dbraw/zinc/18/28/69/1259182869.db2.gz FEMAJHPOXAKYNC-SJLPKXTDSA-N 2 1 360.502 0.700 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003784 1259286150 /nfs/dbraw/zinc/28/61/50/1259286150.db2.gz GVSRQUYIVCGRPI-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003784 1259286154 /nfs/dbraw/zinc/28/61/54/1259286154.db2.gz GVSRQUYIVCGRPI-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003784 1259286157 /nfs/dbraw/zinc/28/61/57/1259286157.db2.gz GVSRQUYIVCGRPI-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048703 1259297754 /nfs/dbraw/zinc/29/77/54/1259297754.db2.gz HFULIMCIWYYAIJ-CVEARBPZSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129055077 1259300940 /nfs/dbraw/zinc/30/09/40/1259300940.db2.gz SSLGSOHIFVWNQX-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129055077 1259300949 /nfs/dbraw/zinc/30/09/49/1259300949.db2.gz SSLGSOHIFVWNQX-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129055077 1259300953 /nfs/dbraw/zinc/30/09/53/1259300953.db2.gz SSLGSOHIFVWNQX-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129064448 1259303455 /nfs/dbraw/zinc/30/34/55/1259303455.db2.gz GAVBFYOIAUGHFG-CVEARBPZSA-N 2 1 364.494 0.386 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129078714 1259307562 /nfs/dbraw/zinc/30/75/62/1259307562.db2.gz DLWGMTVELVJDRP-SJORKVTESA-N 2 1 357.462 0.951 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129204806 1259343764 /nfs/dbraw/zinc/34/37/64/1259343764.db2.gz KGSPFKLJXKWXQD-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205621 1259346132 /nfs/dbraw/zinc/34/61/32/1259346132.db2.gz YHWUQSAMQBLBJK-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205621 1259346139 /nfs/dbraw/zinc/34/61/39/1259346139.db2.gz YHWUQSAMQBLBJK-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219914 1259347153 /nfs/dbraw/zinc/34/71/53/1259347153.db2.gz NPIPEQANDVODMB-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1 ZINC001129228404 1259348976 /nfs/dbraw/zinc/34/89/76/1259348976.db2.gz QZGIMXQSSBBLNN-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1n1ccnn1 ZINC001129228403 1259349199 /nfs/dbraw/zinc/34/91/99/1259349199.db2.gz QZGIMXQSSBBLNN-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP CC1(C)NC(=O)N(Cc2ccc(NCC[NH+]3CCC([NH3+])CC3)nc2)C1=O ZINC001161871214 1259387333 /nfs/dbraw/zinc/38/73/33/1259387333.db2.gz WWNLZEORGYEXCX-UHFFFAOYSA-N 2 1 360.462 0.747 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC001200635592 1259418927 /nfs/dbraw/zinc/41/89/27/1259418927.db2.gz ALEJFRVVPWRHDC-UKRRQHHQSA-N 2 1 363.462 0.842 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200644131 1259419059 /nfs/dbraw/zinc/41/90/59/1259419059.db2.gz JSTPFUDAVRQMNJ-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212353215 1259470646 /nfs/dbraw/zinc/47/06/46/1259470646.db2.gz MHHYMSXWVKFQEJ-BRWVUGGUSA-N 2 1 369.485 0.458 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212353215 1259470651 /nfs/dbraw/zinc/47/06/51/1259470651.db2.gz MHHYMSXWVKFQEJ-BRWVUGGUSA-N 2 1 369.485 0.458 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418559 1259497500 /nfs/dbraw/zinc/49/75/00/1259497500.db2.gz JHXDDRLYGHDCRT-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418559 1259497505 /nfs/dbraw/zinc/49/75/05/1259497505.db2.gz JHXDDRLYGHDCRT-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418559 1259497511 /nfs/dbraw/zinc/49/75/11/1259497511.db2.gz JHXDDRLYGHDCRT-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212483288 1259519592 /nfs/dbraw/zinc/51/95/92/1259519592.db2.gz FMIKAFOBPDSDRP-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212483288 1259519596 /nfs/dbraw/zinc/51/95/96/1259519596.db2.gz FMIKAFOBPDSDRP-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212483288 1259519600 /nfs/dbraw/zinc/51/96/00/1259519600.db2.gz FMIKAFOBPDSDRP-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212483288 1259519610 /nfs/dbraw/zinc/51/96/10/1259519610.db2.gz FMIKAFOBPDSDRP-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215544201 1259535497 /nfs/dbraw/zinc/53/54/97/1259535497.db2.gz KOHMRXKWPKSRAF-DVOMOZLQSA-N 2 1 363.462 0.455 20 0 FCADMP c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cnc12 ZINC001234985700 1259566024 /nfs/dbraw/zinc/56/60/24/1259566024.db2.gz DULWXOXFDTXGOD-IBGZPJMESA-N 3 1 355.490 0.334 20 0 FCADMP CCOC(=O)[C@]12C[N@H+](Cc3ccc(OCC(N)=O)cc3)C[C@H]1C[NH2+]CC2 ZINC001236039150 1259587917 /nfs/dbraw/zinc/58/79/17/1259587917.db2.gz SDXVPNBASKVSAE-DNVCBOLYSA-N 2 1 361.442 0.525 20 0 FCADMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(OCC(N)=O)cc3)C[C@H]1C[NH2+]CC2 ZINC001236039150 1259587924 /nfs/dbraw/zinc/58/79/24/1259587924.db2.gz SDXVPNBASKVSAE-DNVCBOLYSA-N 2 1 361.442 0.525 20 0 FCADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(NC[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001245966117 1259641484 /nfs/dbraw/zinc/64/14/84/1259641484.db2.gz QSKAINFEEBMQRJ-SJORKVTESA-N 2 1 365.474 0.397 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC(N2CC[NH2+]CC2)CC1 ZINC001246052738 1259645586 /nfs/dbraw/zinc/64/55/86/1259645586.db2.gz NWVTZDGMDZJGNT-RBUKOAKNSA-N 2 1 368.472 0.565 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246032929 1259646183 /nfs/dbraw/zinc/64/61/83/1259646183.db2.gz ZVSXMMMWIPMNMN-IPMKNSEASA-N 2 1 368.472 0.613 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@H]1C2 ZINC001246048577 1259647209 /nfs/dbraw/zinc/64/72/09/1259647209.db2.gz ZAANCLYIKZQAON-YRIDSSQKSA-N 2 1 374.481 0.895 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CN1 ZINC001246191946 1259650313 /nfs/dbraw/zinc/65/03/13/1259650313.db2.gz BMTRBRLKMSYGFK-OALUTQOASA-N 2 1 360.502 0.817 20 0 FCADMP COc1ccc(C(=O)N2CCC([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246639218 1259656035 /nfs/dbraw/zinc/65/60/35/1259656035.db2.gz VEJCELIWVAMRDJ-FQEVSTJZSA-N 2 1 358.486 0.937 20 0 FCADMP COc1ccc(C(=O)N2CCC([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246639218 1259656042 /nfs/dbraw/zinc/65/60/42/1259656042.db2.gz VEJCELIWVAMRDJ-FQEVSTJZSA-N 2 1 358.486 0.937 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CN[C@@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682887 1259660065 /nfs/dbraw/zinc/66/00/65/1259660065.db2.gz OMXKWMKCGSYKDT-QGWWYQLQSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@]12CN([C@H]3C[NH2+][C@@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682887 1259660076 /nfs/dbraw/zinc/66/00/76/1259660076.db2.gz OMXKWMKCGSYKDT-QGWWYQLQSA-N 2 1 367.490 0.535 20 0 FCADMP O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246701328 1259664934 /nfs/dbraw/zinc/66/49/34/1259664934.db2.gz LQFMBHCMICSROB-CWLKWCNXSA-N 2 1 374.485 0.469 20 0 FCADMP Cn1cccc1C(=O)N[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2CCCO[C@@H]21 ZINC001246713274 1259665777 /nfs/dbraw/zinc/66/57/77/1259665777.db2.gz DYWUFHZICNDBAK-KYHPRHEASA-N 2 1 373.501 0.081 20 0 FCADMP c1cncc(NCc2nnn3c2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246721148 1259669000 /nfs/dbraw/zinc/66/90/00/1259669000.db2.gz DWSBSKYAWRRXEE-MRXNPFEDSA-N 2 1 368.489 0.585 20 0 FCADMP c1cncc(NCc2nnn3c2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCC3)c1 ZINC001246721148 1259669004 /nfs/dbraw/zinc/66/90/04/1259669004.db2.gz DWSBSKYAWRRXEE-MRXNPFEDSA-N 2 1 368.489 0.585 20 0 FCADMP O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246726049 1259670366 /nfs/dbraw/zinc/67/03/66/1259670366.db2.gz PBQAFOOPVIOLQG-QWFCFKBJSA-N 2 1 358.486 0.973 20 0 FCADMP O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246726049 1259670371 /nfs/dbraw/zinc/67/03/71/1259670371.db2.gz PBQAFOOPVIOLQG-QWFCFKBJSA-N 2 1 358.486 0.973 20 0 FCADMP O=C(c1cnccn1)N1CCC[C@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737831 1259672160 /nfs/dbraw/zinc/67/21/60/1259672160.db2.gz KATDAMZNBXTZLE-VQIMIIECSA-N 2 1 370.501 0.499 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762411 1259684651 /nfs/dbraw/zinc/68/46/51/1259684651.db2.gz BWMIJNFUNUYLJF-VGAPYMQISA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762411 1259684660 /nfs/dbraw/zinc/68/46/60/1259684660.db2.gz BWMIJNFUNUYLJF-VGAPYMQISA-N 2 1 361.490 0.627 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21)c1ccco1 ZINC001246766361 1259686503 /nfs/dbraw/zinc/68/65/03/1259686503.db2.gz MZGQBOXLYRMVSJ-UIBIWLFHSA-N 2 1 374.485 0.440 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1=O ZINC001335498708 1259687925 /nfs/dbraw/zinc/68/79/25/1259687925.db2.gz QWPFASLNGDGYOU-IRXDYDNUSA-N 2 1 353.438 0.628 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856597 1259693013 /nfs/dbraw/zinc/69/30/13/1259693013.db2.gz FHNMVGSNRUQDOG-HOIZKXCTSA-N 2 1 360.462 0.487 20 0 FCADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859480 1259693786 /nfs/dbraw/zinc/69/37/86/1259693786.db2.gz PEAZRFJVZDIBPP-DINYXHQHSA-N 2 1 366.458 0.428 20 0 FCADMP COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920236 1259694996 /nfs/dbraw/zinc/69/49/96/1259694996.db2.gz DHOPMUSNGHSISE-RBUKOAKNSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3C[NH2+]CC34CNC4)n2)CC1 ZINC001247831240 1259705394 /nfs/dbraw/zinc/70/53/94/1259705394.db2.gz RGDZADUCJQXCPO-OAHLLOKOSA-N 2 1 354.458 0.765 20 0 FCADMP Cc1ccc(NCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c1 ZINC001335554095 1259713427 /nfs/dbraw/zinc/71/34/27/1259713427.db2.gz LXUDOANJNAWACM-ZDUSSCGKSA-N 2 1 374.411 0.937 20 0 FCADMP CN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035863 1259733935 /nfs/dbraw/zinc/73/39/35/1259733935.db2.gz PXUANYLLEQNHKX-HXUWFJFHSA-N 2 1 362.518 0.217 20 0 FCADMP O=C(C1CC[NH+](C[C@H](O)CO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001252060533 1259777677 /nfs/dbraw/zinc/77/76/77/1259777677.db2.gz ZZXTXYFSNRVBGT-IBGZPJMESA-N 2 1 361.486 0.396 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001252416821 1259785028 /nfs/dbraw/zinc/78/50/28/1259785028.db2.gz DCFZGAQNPDCPFH-QGZVFWFLSA-N 2 1 363.458 0.530 20 0 FCADMP CC(C)OC[C@@H](O)C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252675705 1259802177 /nfs/dbraw/zinc/80/21/77/1259802177.db2.gz BIGNVXSDQZNMRY-INIZCTEOSA-N 2 1 363.506 0.415 20 0 FCADMP CC(C)OC[C@@H](O)C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252675705 1259802183 /nfs/dbraw/zinc/80/21/83/1259802183.db2.gz BIGNVXSDQZNMRY-INIZCTEOSA-N 2 1 363.506 0.415 20 0 FCADMP C[NH+](C)CCN1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931270 1259812049 /nfs/dbraw/zinc/81/20/49/1259812049.db2.gz JIWCGZYCINJWBX-NRFANRHFSA-N 3 1 374.529 0.719 20 0 FCADMP O=C1COCC2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252927224 1259813023 /nfs/dbraw/zinc/81/30/23/1259813023.db2.gz WOKNBZYXJXFIHE-HXUWFJFHSA-N 2 1 359.470 0.604 20 0 FCADMP O=C1COCC2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252927224 1259813029 /nfs/dbraw/zinc/81/30/29/1259813029.db2.gz WOKNBZYXJXFIHE-HXUWFJFHSA-N 2 1 359.470 0.604 20 0 FCADMP COC(=O)[C@@H](Cc1c[nH]cn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950849 1259813908 /nfs/dbraw/zinc/81/39/08/1259813908.db2.gz HIWMTPNKGLBBKD-IEBWSBKVSA-N 2 1 358.442 0.720 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001253185397 1259826932 /nfs/dbraw/zinc/82/69/32/1259826932.db2.gz QNQZHUPJBRWVTE-AOIWGVFYSA-N 2 1 371.522 0.417 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335798591 1259846093 /nfs/dbraw/zinc/84/60/93/1259846093.db2.gz DIJDXLKZRGWURR-FQEVSTJZSA-N 2 1 361.486 0.444 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335798591 1259846098 /nfs/dbraw/zinc/84/60/98/1259846098.db2.gz DIJDXLKZRGWURR-FQEVSTJZSA-N 2 1 361.486 0.444 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)cn2)CC1 ZINC001254005013 1259868899 /nfs/dbraw/zinc/86/88/99/1259868899.db2.gz RNHLFUZZYOUWPL-MRXNPFEDSA-N 2 1 358.490 0.719 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)cn2)CC1 ZINC001254005013 1259868904 /nfs/dbraw/zinc/86/89/04/1259868904.db2.gz RNHLFUZZYOUWPL-MRXNPFEDSA-N 2 1 358.490 0.719 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](C)CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040957 1259869703 /nfs/dbraw/zinc/86/97/03/1259869703.db2.gz FTPJAXQGPNPDGB-SFHVURJKSA-N 2 1 361.486 0.803 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040957 1259869710 /nfs/dbraw/zinc/86/97/10/1259869710.db2.gz FTPJAXQGPNPDGB-SFHVURJKSA-N 2 1 361.486 0.803 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254050375 1259870785 /nfs/dbraw/zinc/87/07/85/1259870785.db2.gz KUXMNFWUSMNDBI-UHFFFAOYSA-N 3 1 374.529 0.767 20 0 FCADMP CC(=O)N1CCC([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001254426685 1259885210 /nfs/dbraw/zinc/88/52/10/1259885210.db2.gz ZYKTVLNWFJIBEF-UHFFFAOYSA-N 2 1 363.462 0.335 20 0 FCADMP CC(=O)N1CCC([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001254426685 1259885216 /nfs/dbraw/zinc/88/52/16/1259885216.db2.gz ZYKTVLNWFJIBEF-UHFFFAOYSA-N 2 1 363.462 0.335 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@H]3CCC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522205 1259889284 /nfs/dbraw/zinc/88/92/84/1259889284.db2.gz MPPRKICVUGFVSD-SQGPQFPESA-N 2 1 372.517 0.978 20 0 FCADMP CNC(=O)[C@]12C[NH+]([C@H]3CCC[N@H+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522205 1259889287 /nfs/dbraw/zinc/88/92/87/1259889287.db2.gz MPPRKICVUGFVSD-SQGPQFPESA-N 2 1 372.517 0.978 20 0 FCADMP CNC(=O)[C@]12C[NH+]([C@H]3CCC[N@@H+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001254522205 1259889291 /nfs/dbraw/zinc/88/92/91/1259889291.db2.gz MPPRKICVUGFVSD-SQGPQFPESA-N 2 1 372.517 0.978 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC[NH+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523101 1259889732 /nfs/dbraw/zinc/88/97/32/1259889732.db2.gz SBRWPDMUQWIVBQ-BRSBDYLESA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[NH+]([C@@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523101 1259889742 /nfs/dbraw/zinc/88/97/42/1259889742.db2.gz SBRWPDMUQWIVBQ-BRSBDYLESA-N 2 1 361.490 0.866 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523101 1259889752 /nfs/dbraw/zinc/88/97/52/1259889752.db2.gz SBRWPDMUQWIVBQ-BRSBDYLESA-N 2 1 361.490 0.866 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999316 1259937591 /nfs/dbraw/zinc/93/75/91/1259937591.db2.gz DSDZZGWEGDTRAE-ROUUACIJSA-N 2 1 357.495 0.795 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999316 1259937603 /nfs/dbraw/zinc/93/76/03/1259937603.db2.gz DSDZZGWEGDTRAE-ROUUACIJSA-N 2 1 357.495 0.795 20 0 FCADMP Cn1cc(N2C[C@@H]3C[N@H+](C4CCC([NH+]5CCOCC5)CC4)C[C@@H]3C2=O)cn1 ZINC001256692642 1259956930 /nfs/dbraw/zinc/95/69/30/1259956930.db2.gz GWRWDGOOWVUNOO-LOTPSLMQSA-N 2 1 373.501 0.958 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@H](CCC[NH3+])C(=O)OC)CC1 ZINC001256995859 1259985625 /nfs/dbraw/zinc/98/56/25/1259985625.db2.gz QXRZYQUPSAWNKZ-CQSZACIVSA-N 2 1 372.462 0.912 20 0 FCADMP O[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750153 1260214162 /nfs/dbraw/zinc/21/41/62/1260214162.db2.gz NIRDOEZVYJTGOB-AZUAARDMSA-N 2 1 364.486 0.770 20 0 FCADMP O[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750153 1260214169 /nfs/dbraw/zinc/21/41/69/1260214169.db2.gz NIRDOEZVYJTGOB-AZUAARDMSA-N 2 1 364.486 0.770 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC001336793207 1260224742 /nfs/dbraw/zinc/22/47/42/1260224742.db2.gz APPAOJCQXJZMMF-ZFWWWQNUSA-N 2 1 359.264 0.845 20 0 FCADMP CS(=O)(=O)Nc1ccc(OCC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC001336802067 1260226973 /nfs/dbraw/zinc/22/69/73/1260226973.db2.gz ARYAHBMDSAIMFW-HNNXBMFYSA-N 2 1 357.476 0.483 20 0 FCADMP CO[C@H]1COCC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336893027 1260247485 /nfs/dbraw/zinc/24/74/85/1260247485.db2.gz DIWUEIMLIAXYPL-OWLYRPNTSA-N 2 1 366.506 0.648 20 0 FCADMP CO[C@@H]1COCC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336893025 1260247654 /nfs/dbraw/zinc/24/76/54/1260247654.db2.gz DIWUEIMLIAXYPL-DZJNRPSUSA-N 2 1 366.506 0.648 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)no1 ZINC001262029594 1260247825 /nfs/dbraw/zinc/24/78/25/1260247825.db2.gz DRCNGBJPFFXVCU-OAHLLOKOSA-N 2 1 365.478 0.263 20 0 FCADMP CN(C)Cc1cc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)no1 ZINC001262029594 1260247829 /nfs/dbraw/zinc/24/78/29/1260247829.db2.gz DRCNGBJPFFXVCU-OAHLLOKOSA-N 2 1 365.478 0.263 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)n1C ZINC001262032173 1260248127 /nfs/dbraw/zinc/24/81/27/1260248127.db2.gz MCYLTHLVAOKTNG-UHFFFAOYSA-N 2 1 364.494 0.929 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001262033848 1260249126 /nfs/dbraw/zinc/24/91/26/1260249126.db2.gz KWHRQXKCJUPWTO-UXLLHSPISA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001262033848 1260249129 /nfs/dbraw/zinc/24/91/29/1260249129.db2.gz KWHRQXKCJUPWTO-UXLLHSPISA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001262033851 1260249251 /nfs/dbraw/zinc/24/92/51/1260249251.db2.gz KWHRQXKCJUPWTO-ZOBUZTSGSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001262033851 1260249270 /nfs/dbraw/zinc/24/92/70/1260249270.db2.gz KWHRQXKCJUPWTO-ZOBUZTSGSA-N 2 1 362.474 0.246 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073502 1260256827 /nfs/dbraw/zinc/25/68/27/1260256827.db2.gz TXOPRHVHFPFIIZ-KSZLIROESA-N 2 1 358.486 0.615 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC001336943573 1260262822 /nfs/dbraw/zinc/26/28/22/1260262822.db2.gz YCYKIWVTFXPBML-IRXDYDNUSA-N 2 1 355.527 0.158 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001336959083 1260267861 /nfs/dbraw/zinc/26/78/61/1260267861.db2.gz FEJADWZRJWWXAO-GJZGRUSLSA-N 2 1 354.495 0.290 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978861 1260273945 /nfs/dbraw/zinc/27/39/45/1260273945.db2.gz XKYAQZKRSBLUPQ-PMPSAXMXSA-N 2 1 359.536 0.861 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063179 1260298962 /nfs/dbraw/zinc/29/89/62/1260298962.db2.gz YYQYHZLXDMWBLW-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084050 1260305114 /nfs/dbraw/zinc/30/51/14/1260305114.db2.gz GPVRYQUPVXEAKL-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337084050 1260305122 /nfs/dbraw/zinc/30/51/22/1260305122.db2.gz GPVRYQUPVXEAKL-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337084050 1260305132 /nfs/dbraw/zinc/30/51/32/1260305132.db2.gz GPVRYQUPVXEAKL-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@H]1OC ZINC001262579897 1260329399 /nfs/dbraw/zinc/32/93/99/1260329399.db2.gz CNXBUBODRIOZKK-CWQOZTLDSA-N 2 1 366.506 0.789 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1=O ZINC001262572976 1260330327 /nfs/dbraw/zinc/33/03/27/1260330327.db2.gz JPJSYPFMXDPJCY-QGZVFWFLSA-N 2 1 360.458 0.020 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC001262572976 1260330334 /nfs/dbraw/zinc/33/03/34/1260330334.db2.gz JPJSYPFMXDPJCY-QGZVFWFLSA-N 2 1 360.458 0.020 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001263756767 1260355956 /nfs/dbraw/zinc/35/59/56/1260355956.db2.gz YTCPPKOSYGUIMS-IMFGXOCKSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001263756767 1260355963 /nfs/dbraw/zinc/35/59/63/1260355963.db2.gz YTCPPKOSYGUIMS-IMFGXOCKSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001263756767 1260355972 /nfs/dbraw/zinc/35/59/72/1260355972.db2.gz YTCPPKOSYGUIMS-IMFGXOCKSA-N 2 1 358.486 0.128 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)cc2)CC1 ZINC001337602005 1260438216 /nfs/dbraw/zinc/43/82/16/1260438216.db2.gz RALLZIWHNJLOQL-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)cc2)CC1 ZINC001337602005 1260438221 /nfs/dbraw/zinc/43/82/21/1260438221.db2.gz RALLZIWHNJLOQL-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC001337862903 1260502595 /nfs/dbraw/zinc/50/25/95/1260502595.db2.gz UHUUCJOUFTVWII-IAGOWNOFSA-N 2 1 368.522 0.801 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001272868664 1260520789 /nfs/dbraw/zinc/52/07/89/1260520789.db2.gz VLEFDBIMYRIDER-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001272868664 1260520792 /nfs/dbraw/zinc/52/07/92/1260520792.db2.gz VLEFDBIMYRIDER-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001273140511 1260607267 /nfs/dbraw/zinc/60/72/67/1260607267.db2.gz IWVYOMBHUDIKGY-CEXWTWQISA-N 2 1 364.534 0.867 20 0 FCADMP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@H]3CN(CCn4ccnc4)C[C@@H](C2)O3)C1 ZINC001273254865 1260637186 /nfs/dbraw/zinc/63/71/86/1260637186.db2.gz NBUMKWJGUZSHKP-OKZBNKHCSA-N 2 1 361.490 0.527 20 0 FCADMP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001273254895 1260637616 /nfs/dbraw/zinc/63/76/16/1260637616.db2.gz OCHIHLXPMFBSJJ-OKZBNKHCSA-N 2 1 361.490 0.527 20 0 FCADMP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2ccnc2)C1 ZINC001273254894 1260637711 /nfs/dbraw/zinc/63/77/11/1260637711.db2.gz OCHIHLXPMFBSJJ-KURKYZTESA-N 2 1 361.490 0.527 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273272595 1260644918 /nfs/dbraw/zinc/64/49/18/1260644918.db2.gz KWAFRPLUYMBNBM-IRXDYDNUSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273272593 1260645505 /nfs/dbraw/zinc/64/55/05/1260645505.db2.gz KWAFRPLUYMBNBM-DLBZAZTESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273273775 1260647532 /nfs/dbraw/zinc/64/75/32/1260647532.db2.gz ZJBFQIAQYHPMKD-MBOZVWFJSA-N 2 1 364.534 0.977 20 0 FCADMP CCOC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001278210818 1260687651 /nfs/dbraw/zinc/68/76/51/1260687651.db2.gz HIHOUWCQVDMUMH-IRXDYDNUSA-N 2 1 366.550 0.876 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001278464889 1260695409 /nfs/dbraw/zinc/69/54/09/1260695409.db2.gz ZRYNVVTWHUKXEJ-FHWLQOOXSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001278464889 1260695415 /nfs/dbraw/zinc/69/54/15/1260695415.db2.gz ZRYNVVTWHUKXEJ-FHWLQOOXSA-N 2 1 363.502 0.809 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC001332218949 1266359246 /nfs/dbraw/zinc/35/92/46/1266359246.db2.gz XIPFNOAOVFZYBH-KRWDZBQOSA-N 2 1 360.458 0.379 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cccnn4)CC3)[C@@H]2C1 ZINC001279175366 1260797848 /nfs/dbraw/zinc/79/78/48/1260797848.db2.gz NXVSXKFRZMVGLQ-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cccnn4)CC3)[C@@H]2C1 ZINC001279175366 1260797853 /nfs/dbraw/zinc/79/78/53/1260797853.db2.gz NXVSXKFRZMVGLQ-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccnnc4)CC3)[C@@H]2C1 ZINC001279176478 1260798929 /nfs/dbraw/zinc/79/89/29/1260798929.db2.gz KJOJHAMAWBGCKB-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccnnc4)CC3)[C@@H]2C1 ZINC001279176478 1260798932 /nfs/dbraw/zinc/79/89/32/1260798932.db2.gz KJOJHAMAWBGCKB-IAGOWNOFSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc[nH]4)CC3)[C@H]2C1 ZINC001279177317 1260799394 /nfs/dbraw/zinc/79/93/94/1260799394.db2.gz PHWZDEDUCVMHBE-HOTGVXAUSA-N 2 1 359.474 0.115 20 0 FCADMP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)c[nH]1 ZINC001279320974 1260837352 /nfs/dbraw/zinc/83/73/52/1260837352.db2.gz CRGCSCHYKGDBNP-HUUCEWRRSA-N 2 1 360.458 0.834 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001279618727 1260902016 /nfs/dbraw/zinc/90/20/16/1260902016.db2.gz ZLZUKANLZWSXTH-XWSJACJDSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001279618727 1260902019 /nfs/dbraw/zinc/90/20/19/1260902019.db2.gz ZLZUKANLZWSXTH-XWSJACJDSA-N 2 1 363.502 0.809 20 0 FCADMP CCOC(=O)c1cc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)[nH]n1 ZINC001279670023 1260911934 /nfs/dbraw/zinc/91/19/34/1260911934.db2.gz BIPSQLLRCQQUSY-UHFFFAOYSA-N 2 1 363.462 0.572 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@H](C1)O2 ZINC001279705876 1260918440 /nfs/dbraw/zinc/91/84/40/1260918440.db2.gz ICKFUQXQVPYYKW-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@H](C1)O2 ZINC001279705876 1260918441 /nfs/dbraw/zinc/91/84/41/1260918441.db2.gz ICKFUQXQVPYYKW-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1nnc2n1CC[N@@H+](CCOC)[C@@H](C)C2 ZINC001279721640 1260920794 /nfs/dbraw/zinc/92/07/94/1260920794.db2.gz FSTGCXMDIOONSD-HNNXBMFYSA-N 2 1 366.510 0.585 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1nnc2n1CC[N@H+](CCOC)[C@@H](C)C2 ZINC001279721640 1260920803 /nfs/dbraw/zinc/92/08/03/1260920803.db2.gz FSTGCXMDIOONSD-HNNXBMFYSA-N 2 1 366.510 0.585 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CC[N@H+](C[C@H]2CCOC2)C3)CC1 ZINC001279893595 1260953024 /nfs/dbraw/zinc/95/30/24/1260953024.db2.gz LPVVFKUGLMPSLO-CQSZACIVSA-N 2 1 361.490 0.971 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CC[N@@H+](C[C@H]2CCOC2)C3)CC1 ZINC001279893595 1260953028 /nfs/dbraw/zinc/95/30/28/1260953028.db2.gz LPVVFKUGLMPSLO-CQSZACIVSA-N 2 1 361.490 0.971 20 0 FCADMP C[NH+]1CCN(C(=O)CN2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001280075008 1260991870 /nfs/dbraw/zinc/99/18/70/1260991870.db2.gz UNNVZUIHEUZIHU-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+]1CCN(C(=O)CN2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001280075008 1260991873 /nfs/dbraw/zinc/99/18/73/1260991873.db2.gz UNNVZUIHEUZIHU-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280076204 1260992135 /nfs/dbraw/zinc/99/21/35/1260992135.db2.gz CDDSSOPDERTTPN-LSDHHAIUSA-N 2 1 364.490 0.889 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001280081906 1260994372 /nfs/dbraw/zinc/99/43/72/1260994372.db2.gz ZAYLDFCBRQTTGP-MBOZVWFJSA-N 2 1 362.518 0.777 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC001280093285 1260998982 /nfs/dbraw/zinc/99/89/82/1260998982.db2.gz KWCAHOVRASEGSG-IRXDYDNUSA-N 2 1 360.458 0.719 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CCN(c4c[nH+]cn4C)CC3)[C@@H]2C1 ZINC001280121185 1261008978 /nfs/dbraw/zinc/00/89/78/1261008978.db2.gz WHJRVHOTEWAEQM-HUUCEWRRSA-N 2 1 363.462 0.057 20 0 FCADMP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH+](C)CC4)C[C@H]23)C[C@@H](C)O1 ZINC001280125654 1261011274 /nfs/dbraw/zinc/01/12/74/1261011274.db2.gz MTEXEDSZVUXXPJ-TXCZRRACSA-N 2 1 364.490 0.651 20 0 FCADMP CC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280160434 1261016953 /nfs/dbraw/zinc/01/69/53/1261016953.db2.gz LJDRMOFZLMEOLZ-USXIJHARSA-N 2 1 359.474 0.373 20 0 FCADMP CC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001280160434 1261016961 /nfs/dbraw/zinc/01/69/61/1261016961.db2.gz LJDRMOFZLMEOLZ-USXIJHARSA-N 2 1 359.474 0.373 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332418 1266379425 /nfs/dbraw/zinc/37/94/25/1266379425.db2.gz PLRQVAVGFJXYJO-UOVPBQLFSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332418 1266379436 /nfs/dbraw/zinc/37/94/36/1266379436.db2.gz PLRQVAVGFJXYJO-UOVPBQLFSA-N 2 1 358.486 0.961 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)O1 ZINC001280211052 1261033914 /nfs/dbraw/zinc/03/39/14/1261033914.db2.gz MJSVBCSURCUBCN-CYBMUJFWSA-N 2 1 363.466 0.114 20 0 FCADMP C[NH+](C)CCN1CCC([NH+]2CCC(C(=O)NCc3cnc[nH]3)CC2)CC1 ZINC001280221143 1261038515 /nfs/dbraw/zinc/03/85/15/1261038515.db2.gz MHPWHJHUTHHGIO-UHFFFAOYSA-N 2 1 362.522 0.764 20 0 FCADMP O=C1CCC[C@@]2(CN(CC[NH+]3CCCC3)CC[N@H+](Cc3cn[nH]c3)C2)N1 ZINC001280224390 1261039804 /nfs/dbraw/zinc/03/98/04/1261039804.db2.gz QYUNMJOFDBACRI-IBGZPJMESA-N 2 1 360.506 0.662 20 0 FCADMP O=C1CCC[C@@]2(CN(CC[NH+]3CCCC3)CC[N@@H+](Cc3cn[nH]c3)C2)N1 ZINC001280224390 1261039808 /nfs/dbraw/zinc/03/98/08/1261039808.db2.gz QYUNMJOFDBACRI-IBGZPJMESA-N 2 1 360.506 0.662 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@H](C(=O)NCc2c[nH]cn2)O3)CC1 ZINC001280251612 1261042279 /nfs/dbraw/zinc/04/22/79/1261042279.db2.gz ZNUHXGRFQJLRLD-QGZVFWFLSA-N 2 1 361.490 0.991 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)Nc2nnco2)CC1 ZINC001280248866 1261042299 /nfs/dbraw/zinc/04/22/99/1261042299.db2.gz MAYNFEMBOPKZFH-JJXSEGSLSA-N 2 1 363.462 0.954 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)Nc2nnco2)CC1 ZINC001280248866 1261042303 /nfs/dbraw/zinc/04/23/03/1261042303.db2.gz MAYNFEMBOPKZFH-JJXSEGSLSA-N 2 1 363.462 0.954 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)CC1 ZINC001280251559 1261042385 /nfs/dbraw/zinc/04/23/85/1261042385.db2.gz XSFZBYHMJXGTIJ-MANSERQUSA-N 2 1 365.518 0.695 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001281832601 1261218226 /nfs/dbraw/zinc/21/82/26/1261218226.db2.gz GSEDQENGKJSNLS-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001332432342 1266402945 /nfs/dbraw/zinc/40/29/45/1266402945.db2.gz VDGRDTYCYKSXHE-KKUMJFAQSA-N 2 1 374.489 0.207 20 0 FCADMP [NH3+]CCCCn1c(-c2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001580294940 1278102883 /nfs/dbraw/zinc/10/28/83/1278102883.db2.gz PGPDLLQFVHDUIE-HNNXBMFYSA-N 2 1 357.462 0.600 20 0 FCADMP [NH3+]CCCCn1c(-c2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001580294940 1278102886 /nfs/dbraw/zinc/10/28/86/1278102886.db2.gz PGPDLLQFVHDUIE-HNNXBMFYSA-N 2 1 357.462 0.600 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001580311256 1278114668 /nfs/dbraw/zinc/11/46/68/1278114668.db2.gz MIYCBTUARKIMTO-GOSISDBHSA-N 2 1 358.486 0.748 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)C1 ZINC001289735951 1262327837 /nfs/dbraw/zinc/32/78/37/1262327837.db2.gz DWCZINZVRPVMIO-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)C1 ZINC001289735951 1262327845 /nfs/dbraw/zinc/32/78/45/1262327845.db2.gz DWCZINZVRPVMIO-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)C1 ZINC001289735951 1262327852 /nfs/dbraw/zinc/32/78/52/1262327852.db2.gz DWCZINZVRPVMIO-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@H+](C)CCOC ZINC001293139701 1262710924 /nfs/dbraw/zinc/71/09/24/1262710924.db2.gz CZYJBZGYMFSMJW-INIZCTEOSA-N 2 1 366.510 0.330 20 0 FCADMP CCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@@H+](C)CCOC ZINC001293139701 1262710928 /nfs/dbraw/zinc/71/09/28/1262710928.db2.gz CZYJBZGYMFSMJW-INIZCTEOSA-N 2 1 366.510 0.330 20 0 FCADMP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+](C)CCOC ZINC001293139701 1262710930 /nfs/dbraw/zinc/71/09/30/1262710930.db2.gz CZYJBZGYMFSMJW-INIZCTEOSA-N 2 1 366.510 0.330 20 0 FCADMP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+](C)CCOC ZINC001293139701 1262710934 /nfs/dbraw/zinc/71/09/34/1262710934.db2.gz CZYJBZGYMFSMJW-INIZCTEOSA-N 2 1 366.510 0.330 20 0 FCADMP Cc1nccn1CC(=O)N[C@@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001297564613 1262879168 /nfs/dbraw/zinc/87/91/68/1262879168.db2.gz OLTRBZLISQOPTH-NRXGSXMXSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@](C)(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001297564613 1262879175 /nfs/dbraw/zinc/87/91/75/1262879175.db2.gz OLTRBZLISQOPTH-NRXGSXMXSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001297564613 1262879181 /nfs/dbraw/zinc/87/91/81/1262879181.db2.gz OLTRBZLISQOPTH-NRXGSXMXSA-N 2 1 361.490 0.933 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179172 1263175968 /nfs/dbraw/zinc/17/59/68/1263175968.db2.gz UWFVBYINQCBVQX-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179172 1263175971 /nfs/dbraw/zinc/17/59/71/1263175971.db2.gz UWFVBYINQCBVQX-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179172 1263175976 /nfs/dbraw/zinc/17/59/76/1263175976.db2.gz UWFVBYINQCBVQX-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001479295600 1263183324 /nfs/dbraw/zinc/18/33/24/1263183324.db2.gz QCRDZZSLTZPIAC-DMRKSPOLSA-N 2 1 352.523 0.972 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001316597118 1263385282 /nfs/dbraw/zinc/38/52/82/1263385282.db2.gz VBESIDSMTTXLET-NVXWUHKLSA-N 2 1 361.490 0.475 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001320006447 1263753336 /nfs/dbraw/zinc/75/33/36/1263753336.db2.gz WOQMXFLFHGHCQO-XSLAGTTESA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H](CCNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495583685 1263828621 /nfs/dbraw/zinc/82/86/21/1263828621.db2.gz FAJVQRMHPXQLFJ-UMVBOHGHSA-N 2 1 365.478 0.701 20 0 FCADMP C[C@H](CCNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001495583685 1263828638 /nfs/dbraw/zinc/82/86/38/1263828638.db2.gz FAJVQRMHPXQLFJ-UMVBOHGHSA-N 2 1 365.478 0.701 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3ccon3)CCCC2)CC[N@H+]1C ZINC001495915935 1263844427 /nfs/dbraw/zinc/84/44/27/1263844427.db2.gz YYXFRCYRCAVBKY-ZIAGYGMSSA-N 2 1 363.462 0.972 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC001320952847 1263886716 /nfs/dbraw/zinc/88/67/16/1263886716.db2.gz OMAVHHLGBDPFNJ-UONOGXRCSA-N 2 1 362.478 0.687 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001321772613 1264057456 /nfs/dbraw/zinc/05/74/56/1264057456.db2.gz PNKQLATUFADVEW-RDJZCZTQSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001506958655 1264348852 /nfs/dbraw/zinc/34/88/52/1264348852.db2.gz WPICZWTVQWSHJD-KBAYOESNSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)C[C@@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001506958655 1264348860 /nfs/dbraw/zinc/34/88/60/1264348860.db2.gz WPICZWTVQWSHJD-KBAYOESNSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)C[C@@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001506958655 1264348871 /nfs/dbraw/zinc/34/88/71/1264348871.db2.gz WPICZWTVQWSHJD-KBAYOESNSA-N 2 1 363.506 0.507 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC001325405227 1264876794 /nfs/dbraw/zinc/87/67/94/1264876794.db2.gz ILZAPZKJCFQRMM-UHFFFAOYSA-N 2 1 373.501 0.048 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001326003106 1265041077 /nfs/dbraw/zinc/04/10/77/1265041077.db2.gz MYQDTVNBAJGLLS-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001326039031 1265051289 /nfs/dbraw/zinc/05/12/89/1265051289.db2.gz RQVNASOOVNCHLL-SFHVURJKSA-N 2 1 358.486 0.850 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@@H]21 ZINC001326472048 1265118138 /nfs/dbraw/zinc/11/81/38/1265118138.db2.gz ICJFOHLQMDEHJW-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC001326627823 1265146322 /nfs/dbraw/zinc/14/63/22/1265146322.db2.gz SABKNJQTBGJARG-UHFFFAOYSA-N 2 1 357.462 0.481 20 0 FCADMP COC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)CC[NH2+]C1 ZINC001326792440 1265167840 /nfs/dbraw/zinc/16/78/40/1265167840.db2.gz HTOMOTHKXYIFTB-HXUWFJFHSA-N 2 1 360.502 0.676 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4c(nnn4C)C3)CC2)CC1 ZINC001327126171 1265239122 /nfs/dbraw/zinc/23/91/22/1265239122.db2.gz CNKWBSSIAOOAJY-MRXNPFEDSA-N 2 1 374.533 0.985 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717687 1265267085 /nfs/dbraw/zinc/26/70/85/1265267085.db2.gz SMIFHAQYSASICZ-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717687 1265267096 /nfs/dbraw/zinc/26/70/96/1265267096.db2.gz SMIFHAQYSASICZ-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O)CC(C)(C)C ZINC001513717687 1265267105 /nfs/dbraw/zinc/26/71/05/1265267105.db2.gz SMIFHAQYSASICZ-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001514883644 1265382681 /nfs/dbraw/zinc/38/26/81/1265382681.db2.gz FDXKDARCWZSWAK-WCXIOVBPSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001514883644 1265382691 /nfs/dbraw/zinc/38/26/91/1265382691.db2.gz FDXKDARCWZSWAK-WCXIOVBPSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001514949497 1265386308 /nfs/dbraw/zinc/38/63/08/1265386308.db2.gz LXACUZUXABGWIX-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001514949497 1265386317 /nfs/dbraw/zinc/38/63/17/1265386317.db2.gz LXACUZUXABGWIX-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001514949497 1265386326 /nfs/dbraw/zinc/38/63/26/1265386326.db2.gz LXACUZUXABGWIX-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCNC(=O)CC1 ZINC001332914226 1266505042 /nfs/dbraw/zinc/50/50/42/1266505042.db2.gz QPNLZLNNNKNKNP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H]1CCNC(=O)CC1 ZINC001332914226 1266505045 /nfs/dbraw/zinc/50/50/45/1266505045.db2.gz QPNLZLNNNKNKNP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H]1CCNC(=O)CC1 ZINC001332914226 1266505052 /nfs/dbraw/zinc/50/50/52/1266505052.db2.gz QPNLZLNNNKNKNP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CCO1 ZINC001333396706 1266591142 /nfs/dbraw/zinc/59/11/42/1266591142.db2.gz CFPKIVXMVXBPIX-JLSDUUJJSA-N 2 1 372.469 0.096 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CCO1 ZINC001333396706 1266591147 /nfs/dbraw/zinc/59/11/47/1266591147.db2.gz CFPKIVXMVXBPIX-JLSDUUJJSA-N 2 1 372.469 0.096 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001333437964 1266603226 /nfs/dbraw/zinc/60/32/26/1266603226.db2.gz HPDWSNYFHXRNEQ-FGTMMUONSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001333437964 1266603229 /nfs/dbraw/zinc/60/32/29/1266603229.db2.gz HPDWSNYFHXRNEQ-FGTMMUONSA-N 2 1 358.486 0.963 20 0 FCADMP CN1CC[NH+](Cc2cccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)c2)CC1 ZINC001333583465 1266638799 /nfs/dbraw/zinc/63/87/99/1266638799.db2.gz ROFZUWYFASUMHP-QGZVFWFLSA-N 2 1 359.474 0.416 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001525058216 1266737175 /nfs/dbraw/zinc/73/71/75/1266737175.db2.gz WGZOWZVPNFKBAK-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001526630434 1266824545 /nfs/dbraw/zinc/82/45/45/1266824545.db2.gz OBBTWUCRKXOUHU-ARFHVFGLSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@H](C)C1 ZINC001527878061 1266932381 /nfs/dbraw/zinc/93/23/81/1266932381.db2.gz LKAFRLTXSRQLOL-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@H](C)C1 ZINC001527878061 1266932386 /nfs/dbraw/zinc/93/23/86/1266932386.db2.gz LKAFRLTXSRQLOL-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC001527878061 1266932391 /nfs/dbraw/zinc/93/23/91/1266932391.db2.gz LKAFRLTXSRQLOL-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@H+]1CCC[C@H](C)C1 ZINC001527878061 1266932400 /nfs/dbraw/zinc/93/24/00/1266932400.db2.gz LKAFRLTXSRQLOL-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001529516956 1267063214 /nfs/dbraw/zinc/06/32/14/1267063214.db2.gz FPAJSJSBKNZPRA-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001529516956 1267063225 /nfs/dbraw/zinc/06/32/25/1267063225.db2.gz FPAJSJSBKNZPRA-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001529516956 1267063233 /nfs/dbraw/zinc/06/32/33/1267063233.db2.gz FPAJSJSBKNZPRA-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001529516956 1267063243 /nfs/dbraw/zinc/06/32/43/1267063243.db2.gz FPAJSJSBKNZPRA-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001529516956 1267063253 /nfs/dbraw/zinc/06/32/53/1267063253.db2.gz FPAJSJSBKNZPRA-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001530784525 1267114127 /nfs/dbraw/zinc/11/41/27/1267114127.db2.gz RKWCASXPOKONRZ-BMFZPTHFSA-N 2 1 356.486 0.581 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001580446925 1278307795 /nfs/dbraw/zinc/30/77/95/1278307795.db2.gz NYAAMZQTZAGTBS-KBPBESRZSA-N 2 1 372.477 0.935 20 0 FCADMP O=S1(=O)CCN(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)CC1 ZINC001334761915 1267165411 /nfs/dbraw/zinc/16/54/11/1267165411.db2.gz AMKYJPFIMBDMLC-KRWDZBQOSA-N 2 1 371.547 0.340 20 0 FCADMP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001534166235 1267252587 /nfs/dbraw/zinc/25/25/87/1267252587.db2.gz IQNOKFUHBOTFRW-OUCADQQQSA-N 2 1 351.451 0.311 20 0 FCADMP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001534166235 1267252592 /nfs/dbraw/zinc/25/25/92/1267252592.db2.gz IQNOKFUHBOTFRW-OUCADQQQSA-N 2 1 351.451 0.311 20 0 FCADMP C[NH+]1CCC(N2CCC(NC(=O)c3cccnc3OCCO)CC2)CC1 ZINC001542525851 1267498063 /nfs/dbraw/zinc/49/80/63/1267498063.db2.gz LEUPHWOMFOBSHK-UHFFFAOYSA-N 2 1 362.474 0.741 20 0 FCADMP O=C(N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC001549214233 1267858428 /nfs/dbraw/zinc/85/84/28/1267858428.db2.gz KRBZABMVRASDQE-BFHYXJOUSA-N 2 1 358.433 0.926 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)n1 ZINC001549483983 1267924660 /nfs/dbraw/zinc/92/46/60/1267924660.db2.gz HSKRKOHETDYKCX-IRXDYDNUSA-N 2 1 361.490 0.818 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001549496461 1267927218 /nfs/dbraw/zinc/92/72/18/1267927218.db2.gz PYSYFOQMCQRBMC-QYZOEREBSA-N 2 1 365.518 0.791 20 0 FCADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464267 1267949648 /nfs/dbraw/zinc/94/96/48/1267949648.db2.gz CBWZVLLUTJYJRX-FHWLQOOXSA-N 2 1 350.459 0.115 20 0 FCADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464267 1267949654 /nfs/dbraw/zinc/94/96/54/1267949654.db2.gz CBWZVLLUTJYJRX-FHWLQOOXSA-N 2 1 350.459 0.115 20 0 FCADMP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549742375 1267984779 /nfs/dbraw/zinc/98/47/79/1267984779.db2.gz TVTFCMBIMMGUKO-DLBZAZTESA-N 2 1 354.458 0.931 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001549762373 1267994197 /nfs/dbraw/zinc/99/41/97/1267994197.db2.gz OIODWPZBDQAWJV-OIISXLGYSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001549762373 1267994206 /nfs/dbraw/zinc/99/42/06/1267994206.db2.gz OIODWPZBDQAWJV-OIISXLGYSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)O1 ZINC001338684053 1268040162 /nfs/dbraw/zinc/04/01/62/1268040162.db2.gz PQHSJYCRBBTOPM-BBWFWOEESA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)O1 ZINC001338684053 1268040172 /nfs/dbraw/zinc/04/01/72/1268040172.db2.gz PQHSJYCRBBTOPM-BBWFWOEESA-N 2 1 368.522 0.896 20 0 FCADMP C[NH+]1CCC(NC(=O)C[NH2+][C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC001550132278 1268080540 /nfs/dbraw/zinc/08/05/40/1268080540.db2.gz GBJIMHHSYFHBCO-FXAWDEMLSA-N 2 1 371.485 0.686 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC001550271739 1268103139 /nfs/dbraw/zinc/10/31/39/1268103139.db2.gz JBQOGYKHXBSQOY-GOSISDBHSA-N 2 1 357.502 0.864 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410410 1268112303 /nfs/dbraw/zinc/11/23/03/1268112303.db2.gz ZMZNJADGOHYWTR-ZYSHUDEJSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410410 1268112307 /nfs/dbraw/zinc/11/23/07/1268112307.db2.gz ZMZNJADGOHYWTR-ZYSHUDEJSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC001550410410 1268112310 /nfs/dbraw/zinc/11/23/10/1268112310.db2.gz ZMZNJADGOHYWTR-ZYSHUDEJSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)n1 ZINC001550410410 1268112313 /nfs/dbraw/zinc/11/23/13/1268112313.db2.gz ZMZNJADGOHYWTR-ZYSHUDEJSA-N 2 1 361.490 0.401 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC001550409736 1268113204 /nfs/dbraw/zinc/11/32/04/1268113204.db2.gz FCSWFWHRNGRTLD-YWTNHNAXSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC001550409736 1268113206 /nfs/dbraw/zinc/11/32/06/1268113206.db2.gz FCSWFWHRNGRTLD-YWTNHNAXSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC001550409736 1268113209 /nfs/dbraw/zinc/11/32/09/1268113209.db2.gz FCSWFWHRNGRTLD-YWTNHNAXSA-N 2 1 353.507 0.933 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550539941 1268129737 /nfs/dbraw/zinc/12/97/37/1268129737.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001550539941 1268129740 /nfs/dbraw/zinc/12/97/40/1268129740.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC001550539941 1268129746 /nfs/dbraw/zinc/12/97/46/1268129746.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 2 1 352.523 0.343 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@H]2C1 ZINC001550652730 1268145616 /nfs/dbraw/zinc/14/56/16/1268145616.db2.gz PCFKQZBZNZENFM-HOTGVXAUSA-N 2 1 352.479 0.071 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001550732970 1268158073 /nfs/dbraw/zinc/15/80/73/1268158073.db2.gz VZHRIULQKHFEJB-QAPCUYQASA-N 2 1 352.479 0.309 20 0 FCADMP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730410 1268158247 /nfs/dbraw/zinc/15/82/47/1268158247.db2.gz GRCAPJWTBGNNOY-ROUUACIJSA-N 2 1 374.485 0.792 20 0 FCADMP CN(C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1(C[NH3+])CCOCC1 ZINC001550741938 1268159329 /nfs/dbraw/zinc/15/93/29/1268159329.db2.gz JCZCKFJRLXWZEM-CVEARBPZSA-N 2 1 366.506 0.779 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001550980204 1268187515 /nfs/dbraw/zinc/18/75/15/1268187515.db2.gz KTHNLQLPYWVGTP-JFIYKMOQSA-N 2 1 368.522 0.990 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465633 1268256558 /nfs/dbraw/zinc/25/65/58/1268256558.db2.gz YECOTPVZMMIGKM-SJORKVTESA-N 2 1 365.522 0.176 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)n1C ZINC001551548042 1268264729 /nfs/dbraw/zinc/26/47/29/1268264729.db2.gz ZONXPNDFOGPIMW-KBPBESRZSA-N 2 1 360.384 0.827 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551592766 1268281295 /nfs/dbraw/zinc/28/12/95/1268281295.db2.gz MTRLFOZGINLESX-UTXMOHQDSA-N 2 1 351.495 0.415 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551592763 1268281325 /nfs/dbraw/zinc/28/13/25/1268281325.db2.gz MTRLFOZGINLESX-DNNBLBMLSA-N 2 1 351.495 0.415 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596437 1268282342 /nfs/dbraw/zinc/28/23/42/1268282342.db2.gz TZJFTVGWSCDLFN-YXJHDRRASA-N 2 1 365.522 0.616 20 0 FCADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597796 1268283503 /nfs/dbraw/zinc/28/35/03/1268283503.db2.gz XBWNETZNUAFWBW-RDJZCZTQSA-N 2 1 351.495 0.370 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939125 1268316272 /nfs/dbraw/zinc/31/62/72/1268316272.db2.gz LROBPAJJEKTXSE-KBUPBQIOSA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939125 1268316285 /nfs/dbraw/zinc/31/62/85/1268316285.db2.gz LROBPAJJEKTXSE-KBUPBQIOSA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001552013501 1268352027 /nfs/dbraw/zinc/35/20/27/1268352027.db2.gz SYKMQEDIJRSBJB-BRSBDYLESA-N 2 1 366.506 0.744 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001552095579 1268371979 /nfs/dbraw/zinc/37/19/79/1268371979.db2.gz IDJKPEZGVHNRMF-ULQDDVLXSA-N 2 1 364.494 0.213 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552099760 1268374077 /nfs/dbraw/zinc/37/40/77/1268374077.db2.gz SUMQYRLDYAXNGQ-KZNAEPCWSA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552099760 1268374090 /nfs/dbraw/zinc/37/40/90/1268374090.db2.gz SUMQYRLDYAXNGQ-KZNAEPCWSA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552099760 1268374101 /nfs/dbraw/zinc/37/41/01/1268374101.db2.gz SUMQYRLDYAXNGQ-KZNAEPCWSA-N 2 1 367.538 0.299 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001552185979 1268404766 /nfs/dbraw/zinc/40/47/66/1268404766.db2.gz MUCKEEDZXPWXCX-LMMKCTJWSA-N 2 1 365.522 0.163 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)c1 ZINC001340018600 1268407907 /nfs/dbraw/zinc/40/79/07/1268407907.db2.gz GXZFSCHAPVWIGL-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552204022 1268409280 /nfs/dbraw/zinc/40/92/80/1268409280.db2.gz WHZJAAANPXYRKZ-YLJYHZDGSA-N 2 1 372.469 0.525 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552250986 1268421401 /nfs/dbraw/zinc/42/14/01/1268421401.db2.gz FCXMHSYSEOOICO-NXHRZFHOSA-N 2 1 358.486 0.910 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cnn1C ZINC001552273676 1268429388 /nfs/dbraw/zinc/42/93/88/1268429388.db2.gz BAZQTSQUIMSXNT-DLBZAZTESA-N 2 1 369.473 0.475 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001340122012 1268443374 /nfs/dbraw/zinc/44/33/74/1268443374.db2.gz QLBDBFQDKDWRNA-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2CNC(=O)[C@H]2CCCC[NH2+]C2)cc[nH+]1 ZINC001552429442 1268461311 /nfs/dbraw/zinc/46/13/11/1268461311.db2.gz VUAKFPBBRMGQPC-RRFJBIMHSA-N 2 1 364.469 0.965 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[C@H]1n1ccnn1 ZINC001552607389 1268490660 /nfs/dbraw/zinc/49/06/60/1268490660.db2.gz ZKSNHQBSXXYKBN-RBSFLKMASA-N 2 1 358.450 0.234 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340321787 1268510575 /nfs/dbraw/zinc/51/05/75/1268510575.db2.gz CMLOYWNZOFILIQ-VQIMIIECSA-N 2 1 369.506 0.757 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001552686367 1268522216 /nfs/dbraw/zinc/52/22/16/1268522216.db2.gz SRPTVJPSFOATFS-HNNXBMFYSA-N 2 1 374.489 0.161 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C[C@H]1C[NH+](C)C ZINC001552699576 1268523502 /nfs/dbraw/zinc/52/35/02/1268523502.db2.gz PFZWXBKIXOHFNC-IYBDPMFKSA-N 3 1 362.522 0.688 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C[C@H]1C[NH+](C)C ZINC001552699574 1268523967 /nfs/dbraw/zinc/52/39/67/1268523967.db2.gz PFZWXBKIXOHFNC-HZPDHXFCSA-N 3 1 362.522 0.688 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC001552708609 1268527372 /nfs/dbraw/zinc/52/73/72/1268527372.db2.gz XFBZSWOIAUQXGF-IRXDYDNUSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC001552708609 1268527376 /nfs/dbraw/zinc/52/73/76/1268527376.db2.gz XFBZSWOIAUQXGF-IRXDYDNUSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC001552708612 1268527724 /nfs/dbraw/zinc/52/77/24/1268527724.db2.gz XFBZSWOIAUQXGF-SJORKVTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC001552708612 1268527730 /nfs/dbraw/zinc/52/77/30/1268527730.db2.gz XFBZSWOIAUQXGF-SJORKVTESA-N 2 1 361.490 0.687 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)CC1 ZINC001552771865 1268543711 /nfs/dbraw/zinc/54/37/11/1268543711.db2.gz VDIJNHIJYSLZQA-RDJZCZTQSA-N 2 1 358.490 0.751 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552800247 1268549933 /nfs/dbraw/zinc/54/99/33/1268549933.db2.gz XSYCXHVAKMDPDN-ZACQAIPSSA-N 2 1 363.510 0.895 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@@H]1n1ccnn1 ZINC001552803124 1268551781 /nfs/dbraw/zinc/55/17/81/1268551781.db2.gz AZBUHIDYJINZEB-SQNIBIBYSA-N 2 1 369.473 0.961 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H]1n1ccnn1 ZINC001552803124 1268551784 /nfs/dbraw/zinc/55/17/84/1268551784.db2.gz AZBUHIDYJINZEB-SQNIBIBYSA-N 2 1 369.473 0.961 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)CC2)C1 ZINC001552835052 1268556482 /nfs/dbraw/zinc/55/64/82/1268556482.db2.gz WEANKTMHMQZQRN-QWFCFKBJSA-N 2 1 364.534 0.772 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)ccn1 ZINC001552890672 1268563940 /nfs/dbraw/zinc/56/39/40/1268563940.db2.gz UGJJOINTYZQIHU-HZPDHXFCSA-N 2 1 358.450 0.754 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C3CN(C)CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC001552995355 1268575070 /nfs/dbraw/zinc/57/50/70/1268575070.db2.gz RUTFRQNUACVAPF-CALCHBBNSA-N 2 1 366.550 0.828 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC001552995355 1268575079 /nfs/dbraw/zinc/57/50/79/1268575079.db2.gz RUTFRQNUACVAPF-CALCHBBNSA-N 2 1 366.550 0.828 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC001552995355 1268575086 /nfs/dbraw/zinc/57/50/86/1268575086.db2.gz RUTFRQNUACVAPF-CALCHBBNSA-N 2 1 366.550 0.828 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](CN4CCOCC4)O3)C2)C1 ZINC001553143510 1268597564 /nfs/dbraw/zinc/59/75/64/1268597564.db2.gz DAHDKKVJTVATRX-LNLFQRSKSA-N 2 1 351.491 0.811 20 0 FCADMP Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359301 1268637753 /nfs/dbraw/zinc/63/77/53/1268637753.db2.gz LWRIZGIWGLQGBH-MGPUTAFESA-N 2 1 369.469 0.964 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368420 1268638256 /nfs/dbraw/zinc/63/82/56/1268638256.db2.gz GSMLDZOJIHQKEZ-PXNSSMCTSA-N 2 1 364.534 0.679 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553386892 1268642019 /nfs/dbraw/zinc/64/20/19/1268642019.db2.gz WLIYGQUSJOCVHH-RHSMWYFYSA-N 2 1 351.472 0.248 20 0 FCADMP CCCNC(=O)c1cccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553392074 1268643210 /nfs/dbraw/zinc/64/32/10/1268643210.db2.gz JTSIEXUWUJCEJV-PXNSSMCTSA-N 2 1 358.486 0.984 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C[C@H](C)O1 ZINC001553426328 1268649073 /nfs/dbraw/zinc/64/90/73/1268649073.db2.gz YDBHAJLVYQLSLW-XHSDSOJGSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C[C@H](C)O1 ZINC001553426328 1268649077 /nfs/dbraw/zinc/64/90/77/1268649077.db2.gz YDBHAJLVYQLSLW-XHSDSOJGSA-N 2 1 368.522 0.942 20 0 FCADMP O=C(N[C@H]1CCCn2ncnc21)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553461782 1268656062 /nfs/dbraw/zinc/65/60/62/1268656062.db2.gz VGGAPBHPWFAWCW-XHSDSOJGSA-N 2 1 359.478 0.723 20 0 FCADMP O=C(NC[C@@H]1CCNCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553502202 1268660264 /nfs/dbraw/zinc/66/02/64/1268660264.db2.gz LDFJKHLEXHVNQQ-CWRNSKLLSA-N 3 1 371.476 0.841 20 0 FCADMP O=C(NC[C@@H]1CCNCC1(F)F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553502202 1268660272 /nfs/dbraw/zinc/66/02/72/1268660272.db2.gz LDFJKHLEXHVNQQ-CWRNSKLLSA-N 3 1 371.476 0.841 20 0 FCADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553544792 1268667068 /nfs/dbraw/zinc/66/70/68/1268667068.db2.gz CHBAANKYSXHGJY-FCGDIQPGSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553544792 1268667078 /nfs/dbraw/zinc/66/70/78/1268667078.db2.gz CHBAANKYSXHGJY-FCGDIQPGSA-N 2 1 361.534 0.985 20 0 FCADMP O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553544795 1268667187 /nfs/dbraw/zinc/66/71/87/1268667187.db2.gz CHBAANKYSXHGJY-HCXYKTFWSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553544795 1268667193 /nfs/dbraw/zinc/66/71/93/1268667193.db2.gz CHBAANKYSXHGJY-HCXYKTFWSA-N 2 1 361.534 0.985 20 0 FCADMP C[C@@H](Cc1nccn1C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553551385 1268668325 /nfs/dbraw/zinc/66/83/25/1268668325.db2.gz DBIXOXVFIYPYFB-BHYGNILZSA-N 2 1 360.506 0.961 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3nc[nH]c3C23CC[NH2+]CC3)c1 ZINC001340866503 1268686239 /nfs/dbraw/zinc/68/62/39/1268686239.db2.gz HFWWZYQSTZHCQY-MRXNPFEDSA-N 2 1 369.469 0.952 20 0 FCADMP COCC[N@H+](C)CCn1c(C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001555524461 1268786192 /nfs/dbraw/zinc/78/61/92/1268786192.db2.gz XAJLHIMYSCRAOA-KRWDZBQOSA-N 2 1 366.510 0.323 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001555524461 1268786198 /nfs/dbraw/zinc/78/61/98/1268786198.db2.gz XAJLHIMYSCRAOA-KRWDZBQOSA-N 2 1 366.510 0.323 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]21 ZINC001341118083 1268792387 /nfs/dbraw/zinc/79/23/87/1268792387.db2.gz DOPFCWSPGNDNMM-BVIKNXMNSA-N 2 1 373.501 0.925 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001565865850 1269498684 /nfs/dbraw/zinc/49/86/84/1269498684.db2.gz QCRDZZSLTZPIAC-WRQOLXDDSA-N 2 1 352.523 0.972 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CC1 ZINC001566048412 1269580581 /nfs/dbraw/zinc/58/05/81/1269580581.db2.gz MWEGGYLBJVJVNQ-MSOLQXFVSA-N 2 1 362.518 0.635 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001566050352 1269582592 /nfs/dbraw/zinc/58/25/92/1269582592.db2.gz NNWJGGDDHOSYQQ-IKGGRYGDSA-N 2 1 364.490 0.794 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001566050352 1269582595 /nfs/dbraw/zinc/58/25/95/1269582595.db2.gz NNWJGGDDHOSYQQ-IKGGRYGDSA-N 2 1 364.490 0.794 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC ZINC001343101147 1269770159 /nfs/dbraw/zinc/77/01/59/1269770159.db2.gz FOQXZLWAQRKQAE-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1)[NH+](C)C ZINC001343108889 1269777147 /nfs/dbraw/zinc/77/71/47/1269777147.db2.gz JJENTKPXTCKOBT-BZUAXINKSA-N 2 1 370.538 0.647 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC001573066494 1270588016 /nfs/dbraw/zinc/58/80/16/1270588016.db2.gz PRZIGOVMPGMKDA-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001574251454 1271120431 /nfs/dbraw/zinc/12/04/31/1271120431.db2.gz DMWPGDISJIAXJU-OAHLLOKOSA-N 2 1 372.477 0.673 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574253556 1271123577 /nfs/dbraw/zinc/12/35/77/1271123577.db2.gz WDCQFOWFMRAAGA-CYBMUJFWSA-N 2 1 358.450 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574287927 1271162925 /nfs/dbraw/zinc/16/29/25/1271162925.db2.gz AVFCMQFTGMIKDN-OAHLLOKOSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574578581 1271376574 /nfs/dbraw/zinc/37/65/74/1271376574.db2.gz DSWWDYMUTIQGHT-IUODEOHRSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574672667 1271477548 /nfs/dbraw/zinc/47/75/48/1271477548.db2.gz YBOCNQSYPIZCMM-STQMWFEESA-N 2 1 358.450 0.332 20 0 FCADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574853546 1271603380 /nfs/dbraw/zinc/60/33/80/1271603380.db2.gz BOXNIQWGXYMTKB-AWEZNQCLSA-N 2 1 369.473 0.899 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873964 1271625093 /nfs/dbraw/zinc/62/50/93/1271625093.db2.gz PDNSSZOWLTVCCL-CZUORRHYSA-N 2 1 372.477 0.721 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876233 1271633749 /nfs/dbraw/zinc/63/37/49/1271633749.db2.gz KXZPVXQRKARXAD-BXUZGUMPSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896671 1271659037 /nfs/dbraw/zinc/65/90/37/1271659037.db2.gz GGRVIWKBMQIMQY-KBPBESRZSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908565 1271673992 /nfs/dbraw/zinc/67/39/92/1271673992.db2.gz JHASYENFHTZDTR-STQMWFEESA-N 2 1 358.450 0.475 20 0 FCADMP CC(C)(C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1)[NH+]1CCCCC1 ZINC001575236954 1271844724 /nfs/dbraw/zinc/84/47/24/1271844724.db2.gz KKSSETCWEGMQDB-INIZCTEOSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)([NH3+])Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575365012 1272007946 /nfs/dbraw/zinc/00/79/46/1272007946.db2.gz ALECTFLFUMAMLW-INIZCTEOSA-N 2 1 371.489 0.522 20 0 FCADMP CC(C)([NH3+])Cn1c(Cc2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575365012 1272007953 /nfs/dbraw/zinc/00/79/53/1272007953.db2.gz ALECTFLFUMAMLW-INIZCTEOSA-N 2 1 371.489 0.522 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001575407020 1272057816 /nfs/dbraw/zinc/05/78/16/1272057816.db2.gz CQCMFNUPZRPMEI-UHFFFAOYSA-N 2 1 364.494 0.775 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2cnn[nH]2)CC1 ZINC001575421290 1272084242 /nfs/dbraw/zinc/08/42/42/1272084242.db2.gz SMJCWOILZIRVQQ-OAHLLOKOSA-N 2 1 350.467 0.121 20 0 FCADMP C[C@H]([NH2+]CCc1c[nH]nn1)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688686 1272300012 /nfs/dbraw/zinc/30/00/12/1272300012.db2.gz BSPZSOVJZUWFDI-GJZGRUSLSA-N 2 1 374.493 0.246 20 0 FCADMP C[C@H]([NH2+]CCc1c[nH]nn1)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001575689957 1272301534 /nfs/dbraw/zinc/30/15/34/1272301534.db2.gz JLTHOIPGWWSGOV-YOEHRIQHSA-N 2 1 364.494 0.285 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485433 1273333622 /nfs/dbraw/zinc/33/36/22/1273333622.db2.gz LTDOOSQQYJMWCD-HOCLYGCPSA-N 2 1 350.467 0.244 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485433 1273333631 /nfs/dbraw/zinc/33/36/31/1273333631.db2.gz LTDOOSQQYJMWCD-HOCLYGCPSA-N 2 1 350.467 0.244 20 0 FCADMP CC1=CCN(c2nnc(C3CC[NH2+]CC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001576563171 1273445107 /nfs/dbraw/zinc/44/51/07/1273445107.db2.gz UTWBEXMGBZTXRC-IBGZPJMESA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001576709928 1273579199 /nfs/dbraw/zinc/57/91/99/1273579199.db2.gz WQBVJOAGWMLDKI-HUUCEWRRSA-N 2 1 363.510 0.686 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCc3cn[nH]n3)CC2)cn1 ZINC001576749523 1273621163 /nfs/dbraw/zinc/62/11/63/1273621163.db2.gz HJLBRBZNZXNNES-INIZCTEOSA-N 2 1 374.493 0.390 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCc3c[nH]nn3)CC2)cn1 ZINC001576749523 1273621172 /nfs/dbraw/zinc/62/11/72/1273621172.db2.gz HJLBRBZNZXNNES-INIZCTEOSA-N 2 1 374.493 0.390 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCc3c[nH]nn3)CC2)cn1 ZINC001576749523 1273621183 /nfs/dbraw/zinc/62/11/83/1273621183.db2.gz HJLBRBZNZXNNES-INIZCTEOSA-N 2 1 374.493 0.390 20 0 FCADMP C[C@H]1CN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)CC[N@@H+]1C ZINC001576791666 1273690072 /nfs/dbraw/zinc/69/00/72/1273690072.db2.gz SERJKMYUOJCIJG-JTQLQIEISA-N 2 1 357.252 0.346 20 0 FCADMP C[C@H]1CN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)CC[N@H+]1C ZINC001576791666 1273690077 /nfs/dbraw/zinc/69/00/77/1273690077.db2.gz SERJKMYUOJCIJG-JTQLQIEISA-N 2 1 357.252 0.346 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847529 1273793572 /nfs/dbraw/zinc/79/35/72/1273793572.db2.gz GEUSXKJMWYBIJN-MELADBBJSA-N 2 1 372.477 0.721 20 0 FCADMP COCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001577007519 1274046638 /nfs/dbraw/zinc/04/66/38/1274046638.db2.gz ISLMTASMEXNZIJ-UHFFFAOYSA-N 2 1 362.478 0.340 20 0 FCADMP COCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001577007467 1274046664 /nfs/dbraw/zinc/04/66/64/1274046664.db2.gz HIHMFURQWFXXQD-MRXNPFEDSA-N 2 1 350.467 0.338 20 0 FCADMP COCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001577007467 1274046674 /nfs/dbraw/zinc/04/66/74/1274046674.db2.gz HIHMFURQWFXXQD-MRXNPFEDSA-N 2 1 350.467 0.338 20 0 FCADMP COCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001577007467 1274046685 /nfs/dbraw/zinc/04/66/85/1274046685.db2.gz HIHMFURQWFXXQD-MRXNPFEDSA-N 2 1 350.467 0.338 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001577040470 1274103389 /nfs/dbraw/zinc/10/33/89/1274103389.db2.gz OESGXPPLFOUNRK-HZPDHXFCSA-N 2 1 350.467 0.039 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001577040470 1274103391 /nfs/dbraw/zinc/10/33/91/1274103391.db2.gz OESGXPPLFOUNRK-HZPDHXFCSA-N 2 1 350.467 0.039 20 0 FCADMP CCCN(C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC[N@@H+](C)C1 ZINC001577488609 1274445764 /nfs/dbraw/zinc/44/57/64/1274445764.db2.gz CBZJHBLHTXDDOD-GJZGRUSLSA-N 2 1 352.479 0.797 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577547826 1274486952 /nfs/dbraw/zinc/48/69/52/1274486952.db2.gz UXMODEBLEMBKTR-CYBMUJFWSA-N 2 1 360.466 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577551762 1274491680 /nfs/dbraw/zinc/49/16/80/1274491680.db2.gz UUNSNWAYJPPIBW-UHFFFAOYSA-N 2 1 360.466 0.807 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550752 1274492025 /nfs/dbraw/zinc/49/20/25/1274492025.db2.gz NBEKFKNFVKZOFU-GOSISDBHSA-N 2 1 372.477 0.676 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577555438 1274496414 /nfs/dbraw/zinc/49/64/14/1274496414.db2.gz ZMFKQQLVQXINEX-AWEZNQCLSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577554205 1274496614 /nfs/dbraw/zinc/49/66/14/1274496614.db2.gz QOBUYDJNBLVKGL-JSGCOSHPSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577554489 1274496863 /nfs/dbraw/zinc/49/68/63/1274496863.db2.gz SJYCTMQULRZRSS-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577559045 1274504164 /nfs/dbraw/zinc/50/41/64/1274504164.db2.gz QLYNODVXBZLERD-UHFFFAOYSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577559099 1274504341 /nfs/dbraw/zinc/50/43/41/1274504341.db2.gz RQCYIPJGQKLWEJ-ZDUSSCGKSA-N 2 1 360.466 0.853 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577559221 1274504643 /nfs/dbraw/zinc/50/46/43/1274504643.db2.gz UJCPFRRHYKRRNQ-OAHLLOKOSA-N 2 1 374.493 0.968 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577560601 1274508426 /nfs/dbraw/zinc/50/84/26/1274508426.db2.gz GOXDDEFNDMYCOC-UHFFFAOYSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577563400 1274516384 /nfs/dbraw/zinc/51/63/84/1274516384.db2.gz QLRWJSYHDOXNIP-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573871 1274539487 /nfs/dbraw/zinc/53/94/87/1274539487.db2.gz FSZMWERKMTUUBL-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573871 1274539481 /nfs/dbraw/zinc/53/94/81/1274539481.db2.gz FSZMWERKMTUUBL-ZDUSSCGKSA-N 2 1 358.450 0.689 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577574221 1274540746 /nfs/dbraw/zinc/54/07/46/1274540746.db2.gz RQNWWAWMRHRELE-ZDUSSCGKSA-N 2 1 360.466 0.935 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577595257 1274561921 /nfs/dbraw/zinc/56/19/21/1274561921.db2.gz WFRUSEOQJGDCBN-HNNXBMFYSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665008 1274680589 /nfs/dbraw/zinc/68/05/89/1274680589.db2.gz LBYREARZQIUKGH-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577666256 1274685098 /nfs/dbraw/zinc/68/50/98/1274685098.db2.gz YCNGBNOKMRWOPB-AWEZNQCLSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577670048 1274695785 /nfs/dbraw/zinc/69/57/85/1274695785.db2.gz SJVILOCXQVVJSI-INIZCTEOSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672945 1274704924 /nfs/dbraw/zinc/70/49/24/1274704924.db2.gz DJMPQGDWDCWPSO-IUODEOHRSA-N 2 1 358.450 0.475 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673909 1274707085 /nfs/dbraw/zinc/70/70/85/1274707085.db2.gz ZXVDOKPVFCTJJO-XJKSGUPXSA-N 2 1 372.477 0.783 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577759514 1274841415 /nfs/dbraw/zinc/84/14/15/1274841415.db2.gz GZBAQKLTONMWRY-HZSPNIEDSA-N 2 1 351.499 0.682 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577852218 1274998169 /nfs/dbraw/zinc/99/81/69/1274998169.db2.gz MHVPWXAETWGNSR-UKRRQHHQSA-N 2 1 372.477 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577856305 1275013197 /nfs/dbraw/zinc/01/31/97/1275013197.db2.gz WSDKXNKRFHOMHV-KBPBESRZSA-N 2 1 372.477 0.817 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866363 1275042072 /nfs/dbraw/zinc/04/20/72/1275042072.db2.gz FWHHIXBJZXYZED-CQSZACIVSA-N 2 1 372.477 0.936 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577869446 1275052767 /nfs/dbraw/zinc/05/27/67/1275052767.db2.gz CUHWSGTYLQOJHM-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577869821 1275056026 /nfs/dbraw/zinc/05/60/26/1275056026.db2.gz YHLCZNBUCGHWBG-OKILXGFUSA-N 2 1 372.477 0.641 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950139 1275173490 /nfs/dbraw/zinc/17/34/90/1275173490.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950139 1275173498 /nfs/dbraw/zinc/17/34/98/1275173498.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950139 1275173499 /nfs/dbraw/zinc/17/34/99/1275173499.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cn[nH]n1)C2)C12CCC[NH+]1CCC2 ZINC001577981565 1275212721 /nfs/dbraw/zinc/21/27/21/1275212721.db2.gz VQQRDEFBBZOZIL-XIRDDKMYSA-N 2 1 358.490 0.945 20 0 FCADMP O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1c[nH]nn1)C2)C12CCC[NH+]1CCC2 ZINC001577981565 1275212730 /nfs/dbraw/zinc/21/27/30/1275212730.db2.gz VQQRDEFBBZOZIL-XIRDDKMYSA-N 2 1 358.490 0.945 20 0 FCADMP O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1c[nH]nn1)C2)C12CCC[NH+]1CCC2 ZINC001577981565 1275212736 /nfs/dbraw/zinc/21/27/36/1275212736.db2.gz VQQRDEFBBZOZIL-XIRDDKMYSA-N 2 1 358.490 0.945 20 0 FCADMP CCOCc1nnc(N(C)C2CC[NH2+]CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578127389 1275426053 /nfs/dbraw/zinc/42/60/53/1275426053.db2.gz VHQHMHJDQBMWDT-QGZVFWFLSA-N 2 1 352.483 0.069 20 0 FCADMP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001578134946 1275433695 /nfs/dbraw/zinc/43/36/95/1275433695.db2.gz HJWLOZWAWCJTFO-OAHLLOKOSA-N 2 1 365.526 0.378 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219909 1275515880 /nfs/dbraw/zinc/51/58/80/1275515880.db2.gz SMJNNFXZTAOFBU-CJNGLKHVSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224151 1275523304 /nfs/dbraw/zinc/52/33/04/1275523304.db2.gz KJZKQOKYWYMXDO-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224151 1275523310 /nfs/dbraw/zinc/52/33/10/1275523310.db2.gz KJZKQOKYWYMXDO-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224151 1275523312 /nfs/dbraw/zinc/52/33/12/1275523312.db2.gz KJZKQOKYWYMXDO-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224151 1275523317 /nfs/dbraw/zinc/52/33/17/1275523317.db2.gz KJZKQOKYWYMXDO-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001578324398 1275669312 /nfs/dbraw/zinc/66/93/12/1275669312.db2.gz OOHPPTJHRJIMQO-AWEZNQCLSA-N 2 1 365.482 0.152 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446585 1275835150 /nfs/dbraw/zinc/83/51/50/1275835150.db2.gz AYMCLRZCVLZNGC-HEHGZKQESA-N 2 1 372.477 0.721 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447987 1275846487 /nfs/dbraw/zinc/84/64/87/1275846487.db2.gz YSIAGWOKZUEDDB-HEHGZKQESA-N 2 1 372.477 0.578 20 0 FCADMP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCSC1 ZINC001578525746 1275958500 /nfs/dbraw/zinc/95/85/00/1275958500.db2.gz OUGQGSHCIVYKSM-UMPJEAMMSA-N 2 1 366.535 0.491 20 0 FCADMP CN(C[C@@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578525969 1275959582 /nfs/dbraw/zinc/95/95/82/1275959582.db2.gz VQRCRWYKGQJOMZ-OIPACUDHSA-N 2 1 364.494 0.022 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001578525930 1275960031 /nfs/dbraw/zinc/96/00/31/1275960031.db2.gz UIFYZADFNHBSTQ-APWZRJJASA-N 2 1 374.464 0.612 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525903 1275960323 /nfs/dbraw/zinc/96/03/23/1275960323.db2.gz TWPKSAUGXIUNDW-YJBOKZPZSA-N 2 1 364.494 0.038 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001578567803 1275999841 /nfs/dbraw/zinc/99/98/41/1275999841.db2.gz CNYASDQCMLDFJL-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001578576009 1276008648 /nfs/dbraw/zinc/00/86/48/1276008648.db2.gz MTUJHUCTWOTAMQ-FMKPAKJESA-N 2 1 358.494 0.959 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578611651 1276046741 /nfs/dbraw/zinc/04/67/41/1276046741.db2.gz SREBDIJNZNCAEP-KUHUBIRLSA-N 2 1 374.464 0.949 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001578654514 1276106026 /nfs/dbraw/zinc/10/60/26/1276106026.db2.gz RKDLVUFJHQUWCB-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP C[NH2+]CCN(C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001578703897 1276169768 /nfs/dbraw/zinc/16/97/68/1276169768.db2.gz HRLRAVZAKUGTOY-UHFFFAOYSA-N 2 1 357.499 0.790 20 0 FCADMP C[NH2+]CCn1c(C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001578721906 1276194877 /nfs/dbraw/zinc/19/48/77/1276194877.db2.gz VXNMJNCERZCEFG-UHFFFAOYSA-N 2 1 372.473 0.899 20 0 FCADMP C[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578731337 1276206641 /nfs/dbraw/zinc/20/66/41/1276206641.db2.gz KUCFNBGYCHQYGR-MRXNPFEDSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578731337 1276206644 /nfs/dbraw/zinc/20/66/44/1276206644.db2.gz KUCFNBGYCHQYGR-MRXNPFEDSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578730972 1276207478 /nfs/dbraw/zinc/20/74/78/1276207478.db2.gz GBQUUTIOUZZSLV-MRXNPFEDSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578730972 1276207483 /nfs/dbraw/zinc/20/74/83/1276207483.db2.gz GBQUUTIOUZZSLV-MRXNPFEDSA-N 2 1 357.462 0.004 20 0 FCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893827 1276428868 /nfs/dbraw/zinc/42/88/68/1276428868.db2.gz QGXZGTYKGKCPHQ-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893827 1276428869 /nfs/dbraw/zinc/42/88/69/1276428869.db2.gz QGXZGTYKGKCPHQ-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578893827 1276428873 /nfs/dbraw/zinc/42/88/73/1276428873.db2.gz QGXZGTYKGKCPHQ-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578972924 1276517832 /nfs/dbraw/zinc/51/78/32/1276517832.db2.gz FKHGOELWQKAPIH-GFCCVEGCSA-N 2 1 363.491 0.913 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578973804 1276520828 /nfs/dbraw/zinc/52/08/28/1276520828.db2.gz BWAVXVNSCCIJTL-HNNXBMFYSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001578978964 1276537797 /nfs/dbraw/zinc/53/77/97/1276537797.db2.gz RRXXVZVTLHSOIW-AWEZNQCLSA-N 2 1 358.450 0.544 20 0 FCADMP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001578980297 1276540336 /nfs/dbraw/zinc/54/03/36/1276540336.db2.gz GEGIFFLNGVWKOH-UHFFFAOYSA-N 2 1 361.425 0.506 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCOCC1 ZINC001579014120 1276587573 /nfs/dbraw/zinc/58/75/73/1276587573.db2.gz JBDCKGUTZQTEGY-HNNXBMFYSA-N 2 1 352.483 0.508 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579014320 1276587659 /nfs/dbraw/zinc/58/76/59/1276587659.db2.gz LOQKVORILUOMSX-DAYGRLMNSA-N 2 1 364.494 0.635 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC(F)(F)C1 ZINC001579020626 1276598881 /nfs/dbraw/zinc/59/88/81/1276598881.db2.gz GUUBTXJXWYLFLW-BETUJISGSA-N 2 1 358.437 0.906 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3[NH2+]2)C[C@H]1C ZINC001579038283 1276622971 /nfs/dbraw/zinc/62/29/71/1276622971.db2.gz FKYNUIVKJFBYBD-SIXLDLHFSA-N 2 1 364.494 0.120 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3[NH2+]2)C[C@@H]1C ZINC001579038282 1276623227 /nfs/dbraw/zinc/62/32/27/1276623227.db2.gz FKYNUIVKJFBYBD-PQEBFOHHSA-N 2 1 364.494 0.120 20 0 FCADMP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001579133652 1276834857 /nfs/dbraw/zinc/83/48/57/1276834857.db2.gz ZSYJCPXXMONSKZ-MRXNPFEDSA-N 2 1 373.461 0.088 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001579133652 1276834878 /nfs/dbraw/zinc/83/48/78/1276834878.db2.gz ZSYJCPXXMONSKZ-MRXNPFEDSA-N 2 1 373.461 0.088 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579133652 1276834898 /nfs/dbraw/zinc/83/48/98/1276834898.db2.gz ZSYJCPXXMONSKZ-MRXNPFEDSA-N 2 1 373.461 0.088 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579133652 1276834918 /nfs/dbraw/zinc/83/49/18/1276834918.db2.gz ZSYJCPXXMONSKZ-MRXNPFEDSA-N 2 1 373.461 0.088 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579166688 1276918585 /nfs/dbraw/zinc/91/85/85/1276918585.db2.gz IEECPHOKIUKHIL-UHFFFAOYSA-N 2 1 373.436 0.650 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160580 1287267626 /nfs/dbraw/zinc/26/76/26/1287267626.db2.gz PVZXKKNMCPRWEY-KJWHEZOQSA-N 2 1 360.462 0.381 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322754 1277138373 /nfs/dbraw/zinc/13/83/73/1277138373.db2.gz GOVZELKWXKUOKD-XJKSGUPXSA-N 2 1 370.461 0.284 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327001 1277151577 /nfs/dbraw/zinc/15/15/77/1277151577.db2.gz NWHUBEQEGKDTIC-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579327039 1277153347 /nfs/dbraw/zinc/15/33/47/1277153347.db2.gz OOEYAOOAJANEKJ-CABCVRRESA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327745 1277154147 /nfs/dbraw/zinc/15/41/47/1277154147.db2.gz XAZKLGMPKVEPRA-QWHCGFSZSA-N 2 1 356.434 0.038 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327427 1277154681 /nfs/dbraw/zinc/15/46/81/1277154681.db2.gz SLJMWVGWLLWYJG-QWHCGFSZSA-N 2 1 356.434 0.251 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327427 1277154683 /nfs/dbraw/zinc/15/46/83/1277154683.db2.gz SLJMWVGWLLWYJG-QWHCGFSZSA-N 2 1 356.434 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579332007 1277162143 /nfs/dbraw/zinc/16/21/43/1277162143.db2.gz HQUSZWXEVGYMAP-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)C1 ZINC001579331885 1277162807 /nfs/dbraw/zinc/16/28/07/1277162807.db2.gz IIAISSVLUMRNNY-INIZCTEOSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579333155 1277165935 /nfs/dbraw/zinc/16/59/35/1277165935.db2.gz OJCUQGUCTIQWJR-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334158 1277170592 /nfs/dbraw/zinc/17/05/92/1277170592.db2.gz DGQLFFBNSXKCCD-AWEZNQCLSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334435 1277170622 /nfs/dbraw/zinc/17/06/22/1277170622.db2.gz FCIMPIQZVAAFDV-BAABZTOOSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334489 1277170775 /nfs/dbraw/zinc/17/07/75/1277170775.db2.gz YAVUZGCPIBGKCE-CHWSQXEVSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334489 1277170777 /nfs/dbraw/zinc/17/07/77/1277170777.db2.gz YAVUZGCPIBGKCE-CHWSQXEVSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335057 1277173270 /nfs/dbraw/zinc/17/32/70/1277173270.db2.gz MTURHJRGKHSZGR-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335057 1277173271 /nfs/dbraw/zinc/17/32/71/1277173271.db2.gz MTURHJRGKHSZGR-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335057 1277173273 /nfs/dbraw/zinc/17/32/73/1277173273.db2.gz MTURHJRGKHSZGR-HUUCEWRRSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334881 1277173323 /nfs/dbraw/zinc/17/33/23/1277173323.db2.gz ITRDDQZETXOMBE-UONOGXRCSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579334594 1277173767 /nfs/dbraw/zinc/17/37/67/1277173767.db2.gz GNRDKMZLIBRMCF-GFCCVEGCSA-N 2 1 361.475 0.428 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579334594 1277173769 /nfs/dbraw/zinc/17/37/69/1277173769.db2.gz GNRDKMZLIBRMCF-GFCCVEGCSA-N 2 1 361.475 0.428 20 0 FCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579340256 1277185904 /nfs/dbraw/zinc/18/59/04/1277185904.db2.gz SFAZYVIFFVATNO-CQSZACIVSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341390 1277189107 /nfs/dbraw/zinc/18/91/07/1277189107.db2.gz KARPDAZHJHECLY-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341875 1277190752 /nfs/dbraw/zinc/19/07/52/1277190752.db2.gz XJMKGMGENBDKJG-KGLIPLIRSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001579343672 1277193187 /nfs/dbraw/zinc/19/31/87/1277193187.db2.gz BCLDXWZZUPNYQI-CYBMUJFWSA-N 2 1 370.461 0.476 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344736 1277194746 /nfs/dbraw/zinc/19/47/46/1277194746.db2.gz RFNQRFIXWWPWGJ-STQMWFEESA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579346970 1277199397 /nfs/dbraw/zinc/19/93/97/1277199397.db2.gz VLIJUXCHGOEVSQ-HNNXBMFYSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353635 1277213787 /nfs/dbraw/zinc/21/37/87/1277213787.db2.gz QOFMJNZFHVQMPA-GOEBONIOSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353910 1277216947 /nfs/dbraw/zinc/21/69/47/1277216947.db2.gz WNGMPCBLNKKMBJ-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355248 1277220671 /nfs/dbraw/zinc/22/06/71/1277220671.db2.gz DMTDWZDUTZFMRO-GDBMZVCRSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579358685 1277226907 /nfs/dbraw/zinc/22/69/07/1277226907.db2.gz IEMWVHRBFZWAAX-DLBZAZTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359768 1277233320 /nfs/dbraw/zinc/23/33/20/1277233320.db2.gz CQXSQAXIGGOKSB-DVOMOZLQSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359922 1277233442 /nfs/dbraw/zinc/23/34/42/1277233442.db2.gz FPCAXHAGICCLJV-XIRDDKMYSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579361663 1277238676 /nfs/dbraw/zinc/23/86/76/1277238676.db2.gz PNKHLTOODXSULP-XHSDSOJGSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579362565 1277240970 /nfs/dbraw/zinc/24/09/70/1277240970.db2.gz SOTKTAVRVXGZDF-IJEWVQPXSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363134 1277241040 /nfs/dbraw/zinc/24/10/40/1277241040.db2.gz WEJFFNGFEXQNMM-IJEWVQPXSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363195 1277242281 /nfs/dbraw/zinc/24/22/81/1277242281.db2.gz XMVDKEKUWUOUMB-DZKIICNBSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372017 1277253059 /nfs/dbraw/zinc/25/30/59/1277253059.db2.gz QZZYJAMIDOLKKQ-CRAIPNDOSA-N 2 1 370.461 0.428 20 0 FCADMP CSCCCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001579374464 1277256167 /nfs/dbraw/zinc/25/61/67/1277256167.db2.gz PIPHCZRZRPVCRZ-YOEHRIQHSA-N 2 1 368.551 0.959 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001579407389 1277288229 /nfs/dbraw/zinc/28/82/29/1277288229.db2.gz VPQIKQWCRUQNGJ-BZUAXINKSA-N 2 1 364.494 0.288 20 0 FCADMP C[C@@H]([NH3+])Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001579406398 1277288820 /nfs/dbraw/zinc/28/88/20/1277288820.db2.gz KYYLDYUJRSHYHP-GDBMZVCRSA-N 2 1 374.464 0.876 20 0 FCADMP C[C@@H]([NH3+])Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001579406398 1277288821 /nfs/dbraw/zinc/28/88/21/1277288821.db2.gz KYYLDYUJRSHYHP-GDBMZVCRSA-N 2 1 374.464 0.876 20 0 FCADMP Cc1[nH+]ccn1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579883474 1277949417 /nfs/dbraw/zinc/94/94/17/1277949417.db2.gz UNOZTEITJHTREO-CQSZACIVSA-N 2 1 358.450 0.257 20 0 FCADMP Cc1nnc(N2CC[NH2+][C@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001579910968 1277958702 /nfs/dbraw/zinc/95/87/02/1277958702.db2.gz YGPIQSUJJVSNSA-GDBMZVCRSA-N 2 1 363.510 0.327 20 0 FCADMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580027567 1277994201 /nfs/dbraw/zinc/99/42/01/1277994201.db2.gz DSBOFLZOXPVDNM-JSGCOSHPSA-N 2 1 373.461 0.421 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580098109 1278007101 /nfs/dbraw/zinc/00/71/01/1278007101.db2.gz IEYGKAKSELNJAX-PMPSAXMXSA-N 2 1 351.495 0.357 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)c1nccs1 ZINC001714391836 1287321151 /nfs/dbraw/zinc/32/11/51/1287321151.db2.gz WWQVXGFYSIKWCN-MGPQQGTHSA-N 2 1 367.519 0.788 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001580275698 1278070370 /nfs/dbraw/zinc/07/03/70/1278070370.db2.gz ZGFKIHNFCNAVTI-DGCLKSJQSA-N 2 1 351.394 0.946 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001580275698 1278070377 /nfs/dbraw/zinc/07/03/77/1278070377.db2.gz ZGFKIHNFCNAVTI-DGCLKSJQSA-N 2 1 351.394 0.946 20 0 FCADMP O=C1[C@H]2C[N@H+](C[C@@]3(O)CCC[NH2+]CC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001580858182 1279053818 /nfs/dbraw/zinc/05/38/18/1279053818.db2.gz DOYBNIBOZVTMNP-FUHIMQAGSA-N 2 1 357.454 0.608 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCc1ccco1 ZINC001714584220 1287326577 /nfs/dbraw/zinc/32/65/77/1287326577.db2.gz KBJBFQPNAKXGSM-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCc1ccco1 ZINC001714584220 1287326582 /nfs/dbraw/zinc/32/65/82/1287326582.db2.gz KBJBFQPNAKXGSM-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NCc1ccco1 ZINC001714584220 1287326588 /nfs/dbraw/zinc/32/65/88/1287326588.db2.gz KBJBFQPNAKXGSM-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NCc1ccco1 ZINC001714584220 1287326593 /nfs/dbraw/zinc/32/65/93/1287326593.db2.gz KBJBFQPNAKXGSM-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP Cc1cc(N2CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955490 1279159016 /nfs/dbraw/zinc/15/90/16/1279159016.db2.gz TVNUBTLFBZLMOX-CQSZACIVSA-N 2 1 372.477 0.947 20 0 FCADMP Cc1cc(N2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956601 1279159853 /nfs/dbraw/zinc/15/98/53/1279159853.db2.gz LJALKVSXLOWEMM-CQSZACIVSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956706 1279160967 /nfs/dbraw/zinc/16/09/67/1279160967.db2.gz MOVOOUAOCGZNMS-KBPBESRZSA-N 2 1 370.461 0.464 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962490 1279167374 /nfs/dbraw/zinc/16/73/74/1279167374.db2.gz WBWODQBODMSVGE-STQMWFEESA-N 2 1 356.434 0.217 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962487 1279167545 /nfs/dbraw/zinc/16/75/45/1279167545.db2.gz WBWODQBODMSVGE-CHWSQXEVSA-N 2 1 356.434 0.217 20 0 FCADMP Cc1cc(N2CCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580966766 1279168404 /nfs/dbraw/zinc/16/84/04/1279168404.db2.gz MOFYKJWYVAYNEE-AWEZNQCLSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993043 1279197760 /nfs/dbraw/zinc/19/77/60/1279197760.db2.gz FGXBTDPQCQYQNG-HOTGVXAUSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994875 1279203293 /nfs/dbraw/zinc/20/32/93/1279203293.db2.gz RZFYOMLDQKUZLI-GXTWGEPZSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994877 1279203709 /nfs/dbraw/zinc/20/37/09/1279203709.db2.gz RZFYOMLDQKUZLI-OCCSQVGLSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003895 1279220932 /nfs/dbraw/zinc/22/09/32/1279220932.db2.gz GWCBKGKYLIJSKL-AWEZNQCLSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010410 1279236278 /nfs/dbraw/zinc/23/62/78/1279236278.db2.gz MJILLUXBBKSEJP-WBMJQRKESA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013174 1279239438 /nfs/dbraw/zinc/23/94/38/1279239438.db2.gz JZUQEYZTUJLJFU-DOMZBBRYSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024407 1279256320 /nfs/dbraw/zinc/25/63/20/1279256320.db2.gz HQWRCHPPMRDVKF-WCQYABFASA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025161 1279257782 /nfs/dbraw/zinc/25/77/82/1279257782.db2.gz QASRCQNHMBZDQE-ABAIWWIYSA-N 2 1 358.450 0.393 20 0 FCADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603259937 1287342614 /nfs/dbraw/zinc/34/26/14/1287342614.db2.gz QWCMIDQUYRIFCG-QAPCUYQASA-N 2 1 357.462 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581340822 1279724226 /nfs/dbraw/zinc/72/42/26/1279724226.db2.gz VFTIKZWNHBLCSI-ZDUSSCGKSA-N 2 1 368.445 0.914 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603481067 1287385946 /nfs/dbraw/zinc/38/59/46/1287385946.db2.gz KUJYTFIBLYGKDK-CZUORRHYSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC001718764193 1287562049 /nfs/dbraw/zinc/56/20/49/1287562049.db2.gz FYONQMCSNKVDGP-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001604304307 1287600538 /nfs/dbraw/zinc/60/05/38/1287600538.db2.gz DYUKXRJZKQJQES-AWEZNQCLSA-N 2 1 358.450 0.607 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001604357374 1287612930 /nfs/dbraw/zinc/61/29/30/1287612930.db2.gz ZZOQVPBGFWWAPI-QGZVFWFLSA-N 2 1 369.473 0.902 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001589813030 1283040389 /nfs/dbraw/zinc/04/03/89/1283040389.db2.gz DSWWDYMUTIQGHT-DOMZBBRYSA-N 2 1 358.450 0.475 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001590112603 1283223558 /nfs/dbraw/zinc/22/35/58/1283223558.db2.gz LDANKCQUOPYDSK-GDBMZVCRSA-N 2 1 369.473 0.948 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001590270800 1283394693 /nfs/dbraw/zinc/39/46/93/1283394693.db2.gz NGVZRIJNDWQKAF-LBPRGKRZSA-N 2 1 361.425 0.553 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001719069186 1287652216 /nfs/dbraw/zinc/65/22/16/1287652216.db2.gz FUFKQOJYKGHCGR-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)C1 ZINC001682657677 1283741438 /nfs/dbraw/zinc/74/14/38/1283741438.db2.gz DWCZINZVRPVMIO-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001682657677 1283741448 /nfs/dbraw/zinc/74/14/48/1283741448.db2.gz DWCZINZVRPVMIO-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001682657677 1283741457 /nfs/dbraw/zinc/74/14/57/1283741457.db2.gz DWCZINZVRPVMIO-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590731678 1283760750 /nfs/dbraw/zinc/76/07/50/1283760750.db2.gz AZIVPPOMIHZYBT-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590731678 1283760758 /nfs/dbraw/zinc/76/07/58/1283760758.db2.gz AZIVPPOMIHZYBT-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC[NH2+]CC1 ZINC001590755228 1283812764 /nfs/dbraw/zinc/81/27/64/1283812764.db2.gz GSSVXKAUVILNNC-JTQLQIEISA-N 2 1 365.463 0.734 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001683526580 1284017969 /nfs/dbraw/zinc/01/79/69/1284017969.db2.gz FFRVWZXTRPQTGG-VYDXJSESSA-N 2 1 370.538 0.238 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071137 1284130819 /nfs/dbraw/zinc/13/08/19/1284130819.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071137 1284130822 /nfs/dbraw/zinc/13/08/22/1284130822.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071137 1284130825 /nfs/dbraw/zinc/13/08/25/1284130825.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 2 1 357.462 0.757 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591091302 1284163370 /nfs/dbraw/zinc/16/33/70/1284163370.db2.gz RSUPEYZZDJFAEJ-INIZCTEOSA-N 2 1 355.446 0.606 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591091302 1284163377 /nfs/dbraw/zinc/16/33/77/1284163377.db2.gz RSUPEYZZDJFAEJ-INIZCTEOSA-N 2 1 355.446 0.606 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173351 1284259671 /nfs/dbraw/zinc/25/96/71/1284259671.db2.gz SHPVENWTUBDCRZ-WFASDCNBSA-N 2 1 370.461 0.284 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175090 1284262276 /nfs/dbraw/zinc/26/22/76/1284262276.db2.gz GOOIBNLHWDDMRA-RXYHWBRQSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591175744 1284264848 /nfs/dbraw/zinc/26/48/48/1284264848.db2.gz UKIPCWLZWOVYEN-KZSQQDEKSA-N 2 1 355.446 0.580 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001591177826 1284273342 /nfs/dbraw/zinc/27/33/42/1284273342.db2.gz OCKXSVSVXILIBI-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001591177826 1284273357 /nfs/dbraw/zinc/27/33/57/1284273357.db2.gz OCKXSVSVXILIBI-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001591181869 1284284000 /nfs/dbraw/zinc/28/40/00/1284284000.db2.gz MDLYCGAIDGQRBX-CQSZACIVSA-N 2 1 358.446 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187348 1284299437 /nfs/dbraw/zinc/29/94/37/1284299437.db2.gz QJWBOJLVCLNTIU-WOMSROEHSA-N 2 1 355.446 0.723 20 0 FCADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1-c1nn[nH]n1 ZINC001591217458 1284355577 /nfs/dbraw/zinc/35/55/77/1284355577.db2.gz FLYDMCMHSGIRBS-GFCCVEGCSA-N 2 1 361.454 0.553 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001591774340 1284895825 /nfs/dbraw/zinc/89/58/25/1284895825.db2.gz AICHRIJEZVSXHZ-NVFZZLLCSA-N 2 1 370.461 0.498 20 0 FCADMP Cc1cc(NCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592045421 1285086212 /nfs/dbraw/zinc/08/62/12/1285086212.db2.gz DFLBZIYUCWYENC-MLGOLLRUSA-N 2 1 372.477 0.783 20 0 FCADMP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001604754921 1287763301 /nfs/dbraw/zinc/76/33/01/1287763301.db2.gz ZZTOWFJDJZHTAJ-OAHLLOKOSA-N 2 1 358.450 0.428 20 0 FCADMP [NH3+]C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)(F)F ZINC001592741918 1285660014 /nfs/dbraw/zinc/66/00/14/1285660014.db2.gz RCRNQDNZEDJWGS-QWRGUYRKSA-N 2 1 355.324 0.059 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742414 1285660787 /nfs/dbraw/zinc/66/07/87/1285660787.db2.gz ZRBITBPILCPUTC-SIIHOXLZSA-N 2 1 353.430 0.393 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001702419205 1285661245 /nfs/dbraw/zinc/66/12/45/1285661245.db2.gz DMTYQFAHZAXNBG-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC2(CC[NH2+]2)CC1 ZINC001592785898 1285710939 /nfs/dbraw/zinc/71/09/39/1285710939.db2.gz BASFDNGQTUQWIC-OAHLLOKOSA-N 2 1 353.430 0.408 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001592786184 1285711365 /nfs/dbraw/zinc/71/13/65/1285711365.db2.gz DJSMQDHPJBZJLD-GDBMZVCRSA-N 2 1 353.430 0.406 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593504090 1286183553 /nfs/dbraw/zinc/18/35/53/1286183553.db2.gz FUUZMAWTJIIISA-QLFBSQMISA-N 2 1 358.446 0.823 20 0 FCADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504878 1286185212 /nfs/dbraw/zinc/18/52/12/1286185212.db2.gz HBYZEZZFBNENAU-BBRMVZONSA-N 2 1 358.446 0.680 20 0 FCADMP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(NC[C@@](C)(O)C[NH+](C)C)c2c1 ZINC001609360135 1289117415 /nfs/dbraw/zinc/11/74/15/1289117415.db2.gz HGOHFJHQMWLVKC-QGZVFWFLSA-N 2 1 357.418 0.570 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001707221944 1287065454 /nfs/dbraw/zinc/06/54/54/1287065454.db2.gz UKEBZOISRXTEIP-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1cc(N(C)C[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687707 1288052083 /nfs/dbraw/zinc/05/20/83/1288052083.db2.gz XCRZFXANSRZLGS-UKRRQHHQSA-N 2 1 372.477 0.995 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001731454268 1288557588 /nfs/dbraw/zinc/55/75/88/1288557588.db2.gz UJGXLRNPRKHCFB-MKXGPGLRSA-N 2 1 370.497 0.847 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NCC ZINC001731865179 1288569147 /nfs/dbraw/zinc/56/91/47/1288569147.db2.gz WFHDMIBFVPAXKN-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NCC ZINC001731865179 1288569148 /nfs/dbraw/zinc/56/91/48/1288569148.db2.gz WFHDMIBFVPAXKN-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NCC ZINC001731865179 1288569156 /nfs/dbraw/zinc/56/91/56/1288569156.db2.gz WFHDMIBFVPAXKN-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC4CC4)C3)C2)CC[N@H+]1C ZINC001733295135 1288607729 /nfs/dbraw/zinc/60/77/29/1288607729.db2.gz KVUBRVIYZRRWMG-WRWLIDTKSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NCC4CC4)C3)C2)CC[NH+]1C ZINC001733295135 1288607732 /nfs/dbraw/zinc/60/77/32/1288607732.db2.gz KVUBRVIYZRRWMG-WRWLIDTKSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NCC4CC4)C3)C2)CC[NH+]1C ZINC001733295135 1288607736 /nfs/dbraw/zinc/60/77/36/1288607736.db2.gz KVUBRVIYZRRWMG-WRWLIDTKSA-N 2 1 362.518 0.777 20 0 FCADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001607095681 1288659253 /nfs/dbraw/zinc/65/92/53/1288659253.db2.gz WWHQELJGXVIQSL-QZTJIDSGSA-N 2 1 372.473 0.961 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001735755821 1288860229 /nfs/dbraw/zinc/86/02/29/1288860229.db2.gz TTXLECFTNKECJG-IAGOWNOFSA-N 2 1 368.522 0.282 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC(=O)NC)C1 ZINC001691901885 1289338293 /nfs/dbraw/zinc/33/82/93/1289338293.db2.gz XRLPEHHVMNBJBC-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC(=O)NC)C1 ZINC001691901885 1289338303 /nfs/dbraw/zinc/33/83/03/1289338303.db2.gz XRLPEHHVMNBJBC-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C2)nc1=O ZINC001691916663 1289341159 /nfs/dbraw/zinc/34/11/59/1289341159.db2.gz AQQAUXPSAHHIEC-UONOGXRCSA-N 2 1 366.510 0.461 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001691933415 1289345390 /nfs/dbraw/zinc/34/53/90/1289345390.db2.gz DVMYQUXSEDNAJL-SJLPKXTDSA-N 2 1 362.522 0.336 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001691933415 1289345398 /nfs/dbraw/zinc/34/53/98/1289345398.db2.gz DVMYQUXSEDNAJL-SJLPKXTDSA-N 2 1 362.522 0.336 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCN1CCNC1=O ZINC001691983567 1289357610 /nfs/dbraw/zinc/35/76/10/1289357610.db2.gz CYYJJIJJWPWHCH-LSDHHAIUSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001692015703 1289361803 /nfs/dbraw/zinc/36/18/03/1289361803.db2.gz GSQWFJMSNZDSTQ-ZWKOTPCHSA-N 2 1 363.506 0.654 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCc1cnn(C)c1 ZINC001692015703 1289361811 /nfs/dbraw/zinc/36/18/11/1289361811.db2.gz GSQWFJMSNZDSTQ-ZWKOTPCHSA-N 2 1 363.506 0.654 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001692083006 1289388724 /nfs/dbraw/zinc/38/87/24/1289388724.db2.gz LJTFBPCDGBQWCM-SJORKVTESA-N 2 1 365.522 0.524 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001692089894 1289397547 /nfs/dbraw/zinc/39/75/47/1289397547.db2.gz DACPZUKKYIPGBJ-SJORKVTESA-N 2 1 364.494 0.217 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCOCCOC ZINC001692182204 1289419545 /nfs/dbraw/zinc/41/95/45/1289419545.db2.gz AGLWKWGURXTOGS-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001692236845 1289434350 /nfs/dbraw/zinc/43/43/50/1289434350.db2.gz REHPDZWJGDVCOC-IKGGRYGDSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001692236845 1289434353 /nfs/dbraw/zinc/43/43/53/1289434353.db2.gz REHPDZWJGDVCOC-IKGGRYGDSA-N 2 1 371.547 0.876 20 0 FCADMP C[C@H](C[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699363363 1289551324 /nfs/dbraw/zinc/55/13/24/1289551324.db2.gz PVSRBOGFTDARPB-IJLUTSLNSA-N 2 1 352.401 0.490 20 0 FCADMP Cc1csc(NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001699403515 1289552327 /nfs/dbraw/zinc/55/23/27/1289552327.db2.gz AMWKWMBBIRXKCS-CYZMBNFOSA-N 2 1 353.492 0.825 20 0 FCADMP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699403679 1289553003 /nfs/dbraw/zinc/55/30/03/1289553003.db2.gz ICQVCIURGSHEIE-YNEHKIRRSA-N 2 1 355.483 0.045 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)CC1 ZINC001702145975 1289751736 /nfs/dbraw/zinc/75/17/36/1289751736.db2.gz FNMKEBGSBGJYGC-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001702312195 1290012614 /nfs/dbraw/zinc/01/26/14/1290012614.db2.gz NKGTYVFKJOMHLT-HUUCEWRRSA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001702313050 1290015537 /nfs/dbraw/zinc/01/55/37/1290015537.db2.gz KFIWZHWJMJCZGI-HZPDHXFCSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001754952121 1290638422 /nfs/dbraw/zinc/63/84/22/1290638422.db2.gz RQNBZQBAODJOMG-KJWHEZOQSA-N 2 1 367.494 0.175 20 0 FCADMP C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001649432774 1291148770 /nfs/dbraw/zinc/14/87/70/1291148770.db2.gz CLXIBJGEMGKDST-CJNGLKHVSA-N 2 1 356.430 0.583 20 0 FCADMP C[C@@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001653481984 1291347059 /nfs/dbraw/zinc/34/70/59/1291347059.db2.gz BUMJWSOLABFZBN-VQIMIIECSA-N 2 1 363.502 0.688 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843485 1291568324 /nfs/dbraw/zinc/56/83/24/1291568324.db2.gz UBAUBDBCQZXSMJ-ZACQAIPSSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843485 1291568328 /nfs/dbraw/zinc/56/83/28/1291568328.db2.gz UBAUBDBCQZXSMJ-ZACQAIPSSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]2C1 ZINC001656843485 1291568329 /nfs/dbraw/zinc/56/83/29/1291568329.db2.gz UBAUBDBCQZXSMJ-ZACQAIPSSA-N 2 1 352.523 0.975 20 0 FCADMP COC(=O)CN1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001658831186 1291630861 /nfs/dbraw/zinc/63/08/61/1291630861.db2.gz UKPQAODGAOIYIO-LJQANCHMSA-N 2 1 361.486 0.980 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C[C@H]2CCNC(=O)CC2)C2CC2)CC[N@H+]1C ZINC001663722453 1291763886 /nfs/dbraw/zinc/76/38/86/1291763886.db2.gz KTPDKEQGHDQESL-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C[C@H]2CCNC(=O)CC2)C2CC2)CC[NH+]1C ZINC001663722453 1291763888 /nfs/dbraw/zinc/76/38/88/1291763888.db2.gz KTPDKEQGHDQESL-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C[C@H]2CCNC(=O)CC2)C2CC2)CC[NH+]1C ZINC001663722453 1291763889 /nfs/dbraw/zinc/76/38/89/1291763889.db2.gz KTPDKEQGHDQESL-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CC(=O)N(C)C ZINC001666621232 1291915557 /nfs/dbraw/zinc/91/55/57/1291915557.db2.gz XCRSYNSCFHRTRW-NXHRZFHOSA-N 2 1 360.502 0.762 20 0 FCADMP CCCN1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC001679000014 1292289041 /nfs/dbraw/zinc/28/90/41/1292289041.db2.gz XYQUHIABAHQZJS-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP CCCN1C[C@@H](CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000014 1292289049 /nfs/dbraw/zinc/28/90/49/1292289049.db2.gz XYQUHIABAHQZJS-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)(N2CCOCC2)CC1 ZINC001686784056 1292957163 /nfs/dbraw/zinc/95/71/63/1292957163.db2.gz FXUKNUXWUASOIM-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001688903258 1294549070 /nfs/dbraw/zinc/54/90/70/1294549070.db2.gz AWZAGMBHUZEIDH-WCXIOVBPSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)C1CC1 ZINC001689015705 1294567639 /nfs/dbraw/zinc/56/76/39/1294567639.db2.gz VIKUYOXCHWVJOI-VPWXQRGCSA-N 2 1 362.518 0.873 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001689064902 1294588333 /nfs/dbraw/zinc/58/83/33/1294588333.db2.gz CLFAKMGOCCYWCS-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](OCC)C1 ZINC001689065440 1294588583 /nfs/dbraw/zinc/58/85/83/1294588583.db2.gz LRINNWRUYAZILX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001689186354 1294655206 /nfs/dbraw/zinc/65/52/06/1294655206.db2.gz HOSRINCDMKLMFS-HZSPNIEDSA-N 2 1 355.483 0.141 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001689231279 1294688800 /nfs/dbraw/zinc/68/88/00/1294688800.db2.gz CXGWPBSIOGSBPW-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001689231279 1294688809 /nfs/dbraw/zinc/68/88/09/1294688809.db2.gz CXGWPBSIOGSBPW-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001689231279 1294688822 /nfs/dbraw/zinc/68/88/22/1294688822.db2.gz CXGWPBSIOGSBPW-BBWFWOEESA-N 2 1 350.507 0.635 20 0 FCADMP COc1coc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151630 1294860432 /nfs/dbraw/zinc/86/04/32/1294860432.db2.gz PLYRLCPMSYYRNM-WQVCFCJDSA-N 2 1 363.458 0.973 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690276712 1294863496 /nfs/dbraw/zinc/86/34/96/1294863496.db2.gz NFMVNKQGGGMZAO-KJWHEZOQSA-N 2 1 367.494 0.186 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001690405106 1294866767 /nfs/dbraw/zinc/86/67/67/1294866767.db2.gz BZLQOJCMZRPPTL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001690469787 1294867148 /nfs/dbraw/zinc/86/71/48/1294867148.db2.gz BSEATOLLYCMNDU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001690576598 1294872650 /nfs/dbraw/zinc/87/26/50/1294872650.db2.gz DWMIXFDJRGSVBI-UXIGCNINSA-N 2 1 364.494 0.410 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001691848109 1294941159 /nfs/dbraw/zinc/94/11/59/1294941159.db2.gz UAORQRRYHNVTKC-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164691647 719758231 /nfs/dbraw/zinc/75/82/31/719758231.db2.gz PNODHBBNJNJKMA-UHFFFAOYSA-N 2 1 358.490 0.653 20 0 FCADMP C(C1CC1)[N@@H+]1CCC2(CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C2)C1 ZINC001164770546 721296861 /nfs/dbraw/zinc/29/68/61/721296861.db2.gz TXCIXOGSEWTZPS-UHFFFAOYSA-N 2 1 370.501 0.839 20 0 FCADMP C(C1CC1)[N@H+]1CCC2(CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C2)C1 ZINC001164770546 721296867 /nfs/dbraw/zinc/29/68/67/721296867.db2.gz TXCIXOGSEWTZPS-UHFFFAOYSA-N 2 1 370.501 0.839 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C)O1 ZINC001067009205 837447992 /nfs/dbraw/zinc/44/79/92/837447992.db2.gz MGEXOTXEEQKPER-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C)O1 ZINC001067009205 837447998 /nfs/dbraw/zinc/44/79/98/837447998.db2.gz MGEXOTXEEQKPER-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC001067009205 837448006 /nfs/dbraw/zinc/44/80/06/837448006.db2.gz MGEXOTXEEQKPER-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCC[N@H+]2C)O1 ZINC001067009205 837448010 /nfs/dbraw/zinc/44/80/10/837448010.db2.gz MGEXOTXEEQKPER-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327029 837646656 /nfs/dbraw/zinc/64/66/56/837646656.db2.gz OQABWNNXYISWMK-CFVMTHIKSA-N 2 1 361.475 0.228 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327029 837646659 /nfs/dbraw/zinc/64/66/59/837646659.db2.gz OQABWNNXYISWMK-CFVMTHIKSA-N 2 1 361.475 0.228 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001070378224 837650884 /nfs/dbraw/zinc/65/08/84/837650884.db2.gz GFPYKUZUVGUFGP-OGWOLHLISA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924789 837702679 /nfs/dbraw/zinc/70/26/79/837702679.db2.gz SODDGYIIPGALSU-XHSDSOJGSA-N 2 1 350.463 0.597 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](CC3CCC3)CC2)CC[N@H+]1C ZINC001070964307 837705398 /nfs/dbraw/zinc/70/53/98/837705398.db2.gz CIEUSGRHTVOARY-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CC3CCC3)CC2)CC[NH+]1C ZINC001070964307 837705411 /nfs/dbraw/zinc/70/54/11/837705411.db2.gz CIEUSGRHTVOARY-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@H+](CC3CCC3)CC2)CC[NH+]1C ZINC001070964307 837705415 /nfs/dbraw/zinc/70/54/15/837705415.db2.gz CIEUSGRHTVOARY-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071055598 837720602 /nfs/dbraw/zinc/72/06/02/837720602.db2.gz MRRMYZQDNMPATC-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071055599 837720621 /nfs/dbraw/zinc/72/06/21/837720621.db2.gz MRRMYZQDNMPATC-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C2 ZINC001099307408 844016057 /nfs/dbraw/zinc/01/60/57/844016057.db2.gz RWWAVBDEGIEMKY-IACUBPJLSA-N 2 1 360.380 0.725 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099317914 844020603 /nfs/dbraw/zinc/02/06/03/844020603.db2.gz VQMVYKDRZAYHKT-RAIGVLPGSA-N 2 1 364.412 0.571 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001099322436 844021787 /nfs/dbraw/zinc/02/17/87/844021787.db2.gz RJSHDJOZQKFJQN-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341612 844034266 /nfs/dbraw/zinc/03/42/66/844034266.db2.gz KTNSIMQNSWPVBT-RAIGVLPGSA-N 2 1 360.384 0.246 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341612 844034274 /nfs/dbraw/zinc/03/42/74/844034274.db2.gz KTNSIMQNSWPVBT-RAIGVLPGSA-N 2 1 360.384 0.246 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099345680 844037771 /nfs/dbraw/zinc/03/77/71/844037771.db2.gz OKCAOMBHOMKDKQ-YNEHKIRRSA-N 2 1 364.412 0.715 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001100343692 844051839 /nfs/dbraw/zinc/05/18/39/844051839.db2.gz NFWDRFIUTNCQSW-PRLABOORSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001100442791 844053700 /nfs/dbraw/zinc/05/37/00/844053700.db2.gz WDZOEKLMEIVKFA-BLYZHGLHSA-N 2 1 367.412 0.769 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCOCC(F)(F)F)C2)O1 ZINC001100442791 844053708 /nfs/dbraw/zinc/05/37/08/844053708.db2.gz WDZOEKLMEIVKFA-BLYZHGLHSA-N 2 1 367.412 0.769 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171984 844088678 /nfs/dbraw/zinc/08/86/78/844088678.db2.gz RIHQFVAKXUZWBD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171984 844088686 /nfs/dbraw/zinc/08/86/86/844088686.db2.gz RIHQFVAKXUZWBD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171984 844088695 /nfs/dbraw/zinc/08/86/95/844088695.db2.gz RIHQFVAKXUZWBD-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350860 844154978 /nfs/dbraw/zinc/15/49/78/844154978.db2.gz HUFGVVKRFGMRDL-APWZRJJASA-N 2 1 350.507 0.587 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101365963 844162232 /nfs/dbraw/zinc/16/22/32/844162232.db2.gz SYTQTDVQXKYFQO-APWZRJJASA-N 2 1 353.507 0.508 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101365963 844162236 /nfs/dbraw/zinc/16/22/36/844162236.db2.gz SYTQTDVQXKYFQO-APWZRJJASA-N 2 1 353.507 0.508 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101365963 844162238 /nfs/dbraw/zinc/16/22/38/844162238.db2.gz SYTQTDVQXKYFQO-APWZRJJASA-N 2 1 353.507 0.508 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101400484 844175328 /nfs/dbraw/zinc/17/53/28/844175328.db2.gz YHAVZTQDVULEII-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101440693 844186530 /nfs/dbraw/zinc/18/65/30/844186530.db2.gz RBFNBBLWHOEUAQ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101440693 844186533 /nfs/dbraw/zinc/18/65/33/844186533.db2.gz RBFNBBLWHOEUAQ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101440693 844186539 /nfs/dbraw/zinc/18/65/39/844186539.db2.gz RBFNBBLWHOEUAQ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101440693 844186545 /nfs/dbraw/zinc/18/65/45/844186545.db2.gz RBFNBBLWHOEUAQ-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461567 844193296 /nfs/dbraw/zinc/19/32/96/844193296.db2.gz ISZZGSACWSAIOR-AEFFLSMTSA-N 2 1 350.463 0.635 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461567 844193300 /nfs/dbraw/zinc/19/33/00/844193300.db2.gz ISZZGSACWSAIOR-AEFFLSMTSA-N 2 1 350.463 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101439861 844186734 /nfs/dbraw/zinc/18/67/34/844186734.db2.gz COUIFRGPTNQUFM-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101439861 844186738 /nfs/dbraw/zinc/18/67/38/844186738.db2.gz COUIFRGPTNQUFM-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101439861 844186740 /nfs/dbraw/zinc/18/67/40/844186740.db2.gz COUIFRGPTNQUFM-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460524 844193404 /nfs/dbraw/zinc/19/34/04/844193404.db2.gz JJIUMJBHWTZJBQ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460524 844193408 /nfs/dbraw/zinc/19/34/08/844193408.db2.gz JJIUMJBHWTZJBQ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460524 844193409 /nfs/dbraw/zinc/19/34/09/844193409.db2.gz JJIUMJBHWTZJBQ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460524 844193413 /nfs/dbraw/zinc/19/34/13/844193413.db2.gz JJIUMJBHWTZJBQ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443665 844188350 /nfs/dbraw/zinc/18/83/50/844188350.db2.gz NMNOYNCFJUBZQZ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443665 844188354 /nfs/dbraw/zinc/18/83/54/844188354.db2.gz NMNOYNCFJUBZQZ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101443665 844188358 /nfs/dbraw/zinc/18/83/58/844188358.db2.gz NMNOYNCFJUBZQZ-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N(CC)CC)C[C@@]2(C)C1 ZINC001101443702 844188378 /nfs/dbraw/zinc/18/83/78/844188378.db2.gz OXMITXBDXZDGRQ-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1 ZINC001101443702 844188381 /nfs/dbraw/zinc/18/83/81/844188381.db2.gz OXMITXBDXZDGRQ-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1 ZINC001101443702 844188384 /nfs/dbraw/zinc/18/83/84/844188384.db2.gz OXMITXBDXZDGRQ-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061620634 836700449 /nfs/dbraw/zinc/70/04/49/836700449.db2.gz DKLPUJXAYKONPH-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460417 844192667 /nfs/dbraw/zinc/19/26/67/844192667.db2.gz DUXXJOUDOCDQRZ-FCEWJHQRSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460417 844192672 /nfs/dbraw/zinc/19/26/72/844192672.db2.gz DUXXJOUDOCDQRZ-FCEWJHQRSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460417 844192681 /nfs/dbraw/zinc/19/26/81/844192681.db2.gz DUXXJOUDOCDQRZ-FCEWJHQRSA-N 2 1 350.507 0.585 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461722 844193223 /nfs/dbraw/zinc/19/32/23/844193223.db2.gz QLTRMPRWRRROLQ-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)C[NH+]3CCCC3)CCC2)CC[N@H+]1C ZINC001063106878 836750623 /nfs/dbraw/zinc/75/06/23/836750623.db2.gz JCCNRPVDYSZNLS-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)CCC[NH+](C)C)CCC2)O1 ZINC001064261693 836793726 /nfs/dbraw/zinc/79/37/26/836793726.db2.gz DIMATJQXSKDWMX-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)CCC[NH+](C)C)CCC2)O1 ZINC001064261693 836793732 /nfs/dbraw/zinc/79/37/32/836793732.db2.gz DIMATJQXSKDWMX-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001064548743 836798195 /nfs/dbraw/zinc/79/81/95/836798195.db2.gz FGMZEDHOZZCGEH-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487258 844206441 /nfs/dbraw/zinc/20/64/41/844206441.db2.gz UXGXFJOEGMJYPM-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376493 837842892 /nfs/dbraw/zinc/84/28/92/837842892.db2.gz VHLQDCJJRZMVHR-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376493 837842900 /nfs/dbraw/zinc/84/29/00/837842900.db2.gz VHLQDCJJRZMVHR-FVQBIDKESA-N 2 1 350.467 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815588 844278896 /nfs/dbraw/zinc/27/88/96/844278896.db2.gz LUCOKYSDFYARCF-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101815588 844278902 /nfs/dbraw/zinc/27/89/02/844278902.db2.gz LUCOKYSDFYARCF-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101815588 844278905 /nfs/dbraw/zinc/27/89/05/844278905.db2.gz LUCOKYSDFYARCF-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246877 837974506 /nfs/dbraw/zinc/97/45/06/837974506.db2.gz NWSQVEGLLYQYKM-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246877 837974515 /nfs/dbraw/zinc/97/45/15/837974515.db2.gz NWSQVEGLLYQYKM-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246877 837974523 /nfs/dbraw/zinc/97/45/23/837974523.db2.gz NWSQVEGLLYQYKM-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246877 837974533 /nfs/dbraw/zinc/97/45/33/837974533.db2.gz NWSQVEGLLYQYKM-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001076751406 838084227 /nfs/dbraw/zinc/08/42/27/838084227.db2.gz MZBXTMGLZZVOQS-HRCADAONSA-N 2 1 356.511 0.306 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839040 838128755 /nfs/dbraw/zinc/12/87/55/838128755.db2.gz YKQBAJWNYXSZTH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839040 838128759 /nfs/dbraw/zinc/12/87/59/838128759.db2.gz YKQBAJWNYXSZTH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839040 838128763 /nfs/dbraw/zinc/12/87/63/838128763.db2.gz YKQBAJWNYXSZTH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]2O)C1 ZINC001076839040 838128767 /nfs/dbraw/zinc/12/87/67/838128767.db2.gz YKQBAJWNYXSZTH-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007693 838213053 /nfs/dbraw/zinc/21/30/53/838213053.db2.gz YIYQRHYETAEBFR-GVDBMIGSSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007693 838213059 /nfs/dbraw/zinc/21/30/59/838213059.db2.gz YIYQRHYETAEBFR-GVDBMIGSSA-N 2 1 364.515 0.763 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)CC1 ZINC001077015118 838216440 /nfs/dbraw/zinc/21/64/40/838216440.db2.gz CIURZNITSLVLGD-VQHPVUNQSA-N 2 1 357.470 0.254 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976276 844357551 /nfs/dbraw/zinc/35/75/51/844357551.db2.gz UHYADZJKCOWFHK-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219082 838822854 /nfs/dbraw/zinc/82/28/54/838822854.db2.gz JBJXEDPCUHXOIW-GVDBMIGSSA-N 2 1 351.491 0.593 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077280903 838872814 /nfs/dbraw/zinc/87/28/14/838872814.db2.gz PHCHTEPWDKYVSL-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077280903 838872828 /nfs/dbraw/zinc/87/28/28/838872828.db2.gz PHCHTEPWDKYVSL-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077280903 838872841 /nfs/dbraw/zinc/87/28/41/838872841.db2.gz PHCHTEPWDKYVSL-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299659 838886602 /nfs/dbraw/zinc/88/66/02/838886602.db2.gz MEYDPACCOJSOKF-BHUNQDJPSA-N 2 1 351.491 0.591 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cs1 ZINC001077571809 839046903 /nfs/dbraw/zinc/04/69/03/839046903.db2.gz XDMQJWAFRYHOCT-GUDXXQAFSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cs1 ZINC001077571809 839046912 /nfs/dbraw/zinc/04/69/12/839046912.db2.gz XDMQJWAFRYHOCT-GUDXXQAFSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cs1 ZINC001077571809 839046927 /nfs/dbraw/zinc/04/69/27/839046927.db2.gz XDMQJWAFRYHOCT-GUDXXQAFSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cs1 ZINC001077571809 839046935 /nfs/dbraw/zinc/04/69/35/839046935.db2.gz XDMQJWAFRYHOCT-GUDXXQAFSA-N 2 1 366.531 0.886 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077571946 839049131 /nfs/dbraw/zinc/04/91/31/839049131.db2.gz ZSBYTMMNCOLTBH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077571946 839049138 /nfs/dbraw/zinc/04/91/38/839049138.db2.gz ZSBYTMMNCOLTBH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077571946 839049141 /nfs/dbraw/zinc/04/91/41/839049141.db2.gz ZSBYTMMNCOLTBH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001102047705 844394024 /nfs/dbraw/zinc/39/40/24/844394024.db2.gz QSARULUINYTIIV-OAGGEKHMSA-N 2 1 350.463 0.454 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001102047705 844394030 /nfs/dbraw/zinc/39/40/30/844394030.db2.gz QSARULUINYTIIV-OAGGEKHMSA-N 2 1 350.463 0.454 20 0 FCADMP COCCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045135 844394621 /nfs/dbraw/zinc/39/46/21/844394621.db2.gz SNOLSQRZAXYRCK-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP COCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045135 844394623 /nfs/dbraw/zinc/39/46/23/844394623.db2.gz SNOLSQRZAXYRCK-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051840 844398504 /nfs/dbraw/zinc/39/85/04/844398504.db2.gz PMBUJZXFDGKNTJ-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051840 844398511 /nfs/dbraw/zinc/39/85/11/844398511.db2.gz PMBUJZXFDGKNTJ-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051840 844398516 /nfs/dbraw/zinc/39/85/16/844398516.db2.gz PMBUJZXFDGKNTJ-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077779404 839153514 /nfs/dbraw/zinc/15/35/14/839153514.db2.gz LPYLMYXNHNZUSF-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010901 839291084 /nfs/dbraw/zinc/29/10/84/839291084.db2.gz QNAZVANURSOSCZ-IAGOWNOFSA-N 2 1 351.491 0.450 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175732 839381427 /nfs/dbraw/zinc/38/14/27/839381427.db2.gz KHHLXAISXHBBCK-FVQBIDKESA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175732 839381441 /nfs/dbraw/zinc/38/14/41/839381441.db2.gz KHHLXAISXHBBCK-FVQBIDKESA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175732 839381457 /nfs/dbraw/zinc/38/14/57/839381457.db2.gz KHHLXAISXHBBCK-FVQBIDKESA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001078175732 839381468 /nfs/dbraw/zinc/38/14/68/839381468.db2.gz KHHLXAISXHBBCK-FVQBIDKESA-N 2 1 351.422 0.318 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102157893 844431473 /nfs/dbraw/zinc/43/14/73/844431473.db2.gz SMALIFSENLXEJV-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102157893 844431478 /nfs/dbraw/zinc/43/14/78/844431478.db2.gz SMALIFSENLXEJV-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206023 839402391 /nfs/dbraw/zinc/40/23/91/839402391.db2.gz MIWLKGMNSJBHDR-OAGGEKHMSA-N 2 1 353.488 0.173 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206023 839402394 /nfs/dbraw/zinc/40/23/94/839402394.db2.gz MIWLKGMNSJBHDR-OAGGEKHMSA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206023 839402398 /nfs/dbraw/zinc/40/23/98/839402398.db2.gz MIWLKGMNSJBHDR-OAGGEKHMSA-N 2 1 353.488 0.173 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)C1 ZINC001078206023 839402406 /nfs/dbraw/zinc/40/24/06/839402406.db2.gz MIWLKGMNSJBHDR-OAGGEKHMSA-N 2 1 353.488 0.173 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191377 844440066 /nfs/dbraw/zinc/44/00/66/844440066.db2.gz YCTSUBDCEKKENT-ZACQAIPSSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079257174 839500577 /nfs/dbraw/zinc/50/05/77/839500577.db2.gz XRXTYAJLUOMEDW-YESZJQIVSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079260819 839501986 /nfs/dbraw/zinc/50/19/86/839501986.db2.gz REZVBLBHAPNUCW-IXDOHACOSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724891 839581158 /nfs/dbraw/zinc/58/11/58/839581158.db2.gz LCFAQOIRPBHSBH-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724891 839581175 /nfs/dbraw/zinc/58/11/75/839581175.db2.gz LCFAQOIRPBHSBH-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724891 839581184 /nfs/dbraw/zinc/58/11/84/839581184.db2.gz LCFAQOIRPBHSBH-QBPKDAKJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276180 844456402 /nfs/dbraw/zinc/45/64/02/844456402.db2.gz HHZXECIXRQADGU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276180 844456408 /nfs/dbraw/zinc/45/64/08/844456408.db2.gz HHZXECIXRQADGU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276180 844456415 /nfs/dbraw/zinc/45/64/15/844456415.db2.gz HHZXECIXRQADGU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001102285528 844458701 /nfs/dbraw/zinc/45/87/01/844458701.db2.gz VRPDEDZADKSHJW-GDBMZVCRSA-N 2 1 353.463 0.648 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290502 844459776 /nfs/dbraw/zinc/45/97/76/844459776.db2.gz HHMWDGOPYKJPPR-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290502 844459782 /nfs/dbraw/zinc/45/97/82/844459782.db2.gz HHMWDGOPYKJPPR-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311119 839699535 /nfs/dbraw/zinc/69/95/35/839699535.db2.gz RSBXGGSVHYTYEW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311119 839699543 /nfs/dbraw/zinc/69/95/43/839699543.db2.gz RSBXGGSVHYTYEW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311119 839699552 /nfs/dbraw/zinc/69/95/52/839699552.db2.gz RSBXGGSVHYTYEW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001080311119 839699558 /nfs/dbraw/zinc/69/95/58/839699558.db2.gz RSBXGGSVHYTYEW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382617 839715009 /nfs/dbraw/zinc/71/50/09/839715009.db2.gz VATMLUAZMMQSEX-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318677 844466065 /nfs/dbraw/zinc/46/60/65/844466065.db2.gz FCXJFWRUKCJSPX-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320698 844466198 /nfs/dbraw/zinc/46/61/98/844466198.db2.gz OZWQVUOREJGFPF-ZIAGYGMSSA-N 2 1 350.463 0.883 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320698 844466203 /nfs/dbraw/zinc/46/62/03/844466203.db2.gz OZWQVUOREJGFPF-ZIAGYGMSSA-N 2 1 350.463 0.883 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318913 844466614 /nfs/dbraw/zinc/46/66/14/844466614.db2.gz PSXVHBVGIFYAHT-HUUCEWRRSA-N 2 1 355.527 0.720 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559139 839747378 /nfs/dbraw/zinc/74/73/78/839747378.db2.gz WUBANDQFJVATDH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559139 839747384 /nfs/dbraw/zinc/74/73/84/839747384.db2.gz WUBANDQFJVATDH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080780921 839798946 /nfs/dbraw/zinc/79/89/46/839798946.db2.gz HFNWGVACOFLUDL-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080780921 839798955 /nfs/dbraw/zinc/79/89/55/839798955.db2.gz HFNWGVACOFLUDL-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080780921 839798961 /nfs/dbraw/zinc/79/89/61/839798961.db2.gz HFNWGVACOFLUDL-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366365 844475747 /nfs/dbraw/zinc/47/57/47/844475747.db2.gz CALPSDVZLMJACR-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366365 844475755 /nfs/dbraw/zinc/47/57/55/844475755.db2.gz CALPSDVZLMJACR-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366365 844475761 /nfs/dbraw/zinc/47/57/61/844475761.db2.gz CALPSDVZLMJACR-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001081672832 839993877 /nfs/dbraw/zinc/99/38/77/839993877.db2.gz LXMBIEJQIRJYAO-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001081672832 839993891 /nfs/dbraw/zinc/99/38/91/839993891.db2.gz LXMBIEJQIRJYAO-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001081672832 839993903 /nfs/dbraw/zinc/99/39/03/839993903.db2.gz LXMBIEJQIRJYAO-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434277 844497095 /nfs/dbraw/zinc/49/70/95/844497095.db2.gz XSYRTPBIISBDKT-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959833 840124143 /nfs/dbraw/zinc/12/41/43/840124143.db2.gz ZSDQBWIPAUXSGY-CBYDULDESA-N 2 1 351.491 0.711 20 0 FCADMP CO[C@@H]1C[NH+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959833 840124148 /nfs/dbraw/zinc/12/41/48/840124148.db2.gz ZSDQBWIPAUXSGY-CBYDULDESA-N 2 1 351.491 0.711 20 0 FCADMP CO[C@@H]1C[NH+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959833 840124152 /nfs/dbraw/zinc/12/41/52/840124152.db2.gz ZSDQBWIPAUXSGY-CBYDULDESA-N 2 1 351.491 0.711 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223338 840247420 /nfs/dbraw/zinc/24/74/20/840247420.db2.gz QIPWHLZOLYYZDA-IAGOWNOFSA-N 2 1 351.495 0.920 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488896 844524981 /nfs/dbraw/zinc/52/49/81/844524981.db2.gz MELABSTVTYMIEH-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326500 840310387 /nfs/dbraw/zinc/31/03/87/840310387.db2.gz GOROPPAANJFVID-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326500 840310404 /nfs/dbraw/zinc/31/04/04/840310404.db2.gz GOROPPAANJFVID-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326500 840310421 /nfs/dbraw/zinc/31/04/21/840310421.db2.gz GOROPPAANJFVID-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328804 840313580 /nfs/dbraw/zinc/31/35/80/840313580.db2.gz MMASCRNIPSFOOZ-ARFHVFGLSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328723 840314316 /nfs/dbraw/zinc/31/43/16/840314316.db2.gz IMEPFHYIZHFMLH-MCIONIFRSA-N 2 1 359.417 0.322 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328723 840314329 /nfs/dbraw/zinc/31/43/29/840314329.db2.gz IMEPFHYIZHFMLH-MCIONIFRSA-N 2 1 359.417 0.322 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371526 840359882 /nfs/dbraw/zinc/35/98/82/840359882.db2.gz NAZDJGPPMOENOQ-ARFHVFGLSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371526 840359893 /nfs/dbraw/zinc/35/98/93/840359893.db2.gz NAZDJGPPMOENOQ-ARFHVFGLSA-N 2 1 350.463 0.822 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102496959 844531066 /nfs/dbraw/zinc/53/10/66/844531066.db2.gz UKLJNHITYNULDM-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102496959 844531068 /nfs/dbraw/zinc/53/10/68/844531068.db2.gz UKLJNHITYNULDM-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102496959 844531071 /nfs/dbraw/zinc/53/10/71/844531071.db2.gz UKLJNHITYNULDM-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cncs1 ZINC001082557735 840465148 /nfs/dbraw/zinc/46/51/48/840465148.db2.gz CNQQQGKSJBSHMU-FVQBIDKESA-N 2 1 362.503 0.907 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncs1 ZINC001082653541 840513061 /nfs/dbraw/zinc/51/30/61/840513061.db2.gz PVSWLBIXXLYRLF-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082699510 840528505 /nfs/dbraw/zinc/52/85/05/840528505.db2.gz BOWQGJMUFJZHGQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082705672 840531576 /nfs/dbraw/zinc/53/15/76/840531576.db2.gz SQKZWENUZLJFTO-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807682 840570319 /nfs/dbraw/zinc/57/03/19/840570319.db2.gz XGYYHCBYSNHOSV-TZMCWYRMSA-N 2 1 353.492 0.505 20 0 FCADMP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102524740 844553900 /nfs/dbraw/zinc/55/39/00/844553900.db2.gz UHESPADFJKDRMT-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102524740 844553902 /nfs/dbraw/zinc/55/39/02/844553902.db2.gz UHESPADFJKDRMT-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102524740 844553906 /nfs/dbraw/zinc/55/39/06/844553906.db2.gz UHESPADFJKDRMT-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001102524740 844553908 /nfs/dbraw/zinc/55/39/08/844553908.db2.gz UHESPADFJKDRMT-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082861974 840588354 /nfs/dbraw/zinc/58/83/54/840588354.db2.gz UQTISRBRBYROLX-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001082922173 840603385 /nfs/dbraw/zinc/60/33/85/840603385.db2.gz NJDPCJUWOKWQBF-VHDGCEQUSA-N 2 1 354.476 0.063 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001082922349 840603597 /nfs/dbraw/zinc/60/35/97/840603597.db2.gz YOAUKWGIEAYTIK-IUODEOHRSA-N 2 1 363.487 0.860 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3oc(C)nc3C)C2)C1 ZINC001082933880 840612584 /nfs/dbraw/zinc/61/25/84/840612584.db2.gz NCHFCHWNZRXVQP-VMGRFDJRSA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3oc(C)nc3C)C2)C1 ZINC001082933880 840612590 /nfs/dbraw/zinc/61/25/90/840612590.db2.gz NCHFCHWNZRXVQP-VMGRFDJRSA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082943698 840616930 /nfs/dbraw/zinc/61/69/30/840616930.db2.gz XUDMOGQXEJHQPC-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083024157 840659834 /nfs/dbraw/zinc/65/98/34/840659834.db2.gz CSPZZPGNRGBWTB-HRCADAONSA-N 2 1 364.515 1.000 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083024157 840659842 /nfs/dbraw/zinc/65/98/42/840659842.db2.gz CSPZZPGNRGBWTB-HRCADAONSA-N 2 1 364.515 1.000 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024157 840659847 /nfs/dbraw/zinc/65/98/47/840659847.db2.gz CSPZZPGNRGBWTB-HRCADAONSA-N 2 1 364.515 1.000 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024157 840659850 /nfs/dbraw/zinc/65/98/50/840659850.db2.gz CSPZZPGNRGBWTB-HRCADAONSA-N 2 1 364.515 1.000 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578015 844571660 /nfs/dbraw/zinc/57/16/60/844571660.db2.gz HPPHEJAENVGBFT-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578015 844571667 /nfs/dbraw/zinc/57/16/67/844571667.db2.gz HPPHEJAENVGBFT-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578015 844571674 /nfs/dbraw/zinc/57/16/74/844571674.db2.gz HPPHEJAENVGBFT-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577871 844571976 /nfs/dbraw/zinc/57/19/76/844571976.db2.gz AWTZXFGPZUNZHS-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102577871 844571979 /nfs/dbraw/zinc/57/19/79/844571979.db2.gz AWTZXFGPZUNZHS-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102577871 844571981 /nfs/dbraw/zinc/57/19/81/844571981.db2.gz AWTZXFGPZUNZHS-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102579137 844573538 /nfs/dbraw/zinc/57/35/38/844573538.db2.gz JMJQELASGUOREQ-SQWLQELKSA-N 2 1 370.519 0.556 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102579137 844573543 /nfs/dbraw/zinc/57/35/43/844573543.db2.gz JMJQELASGUOREQ-SQWLQELKSA-N 2 1 370.519 0.556 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](C[C@@H]4CCOC4)C[C@@H]32)C1 ZINC001083193359 840788712 /nfs/dbraw/zinc/78/87/12/840788712.db2.gz NUDKERWWDOSOPC-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)C1 ZINC001083193359 840788723 /nfs/dbraw/zinc/78/87/23/840788723.db2.gz NUDKERWWDOSOPC-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)C1 ZINC001083193359 840788729 /nfs/dbraw/zinc/78/87/29/840788729.db2.gz NUDKERWWDOSOPC-YESZJQIVSA-N 2 1 351.491 0.666 20 0 FCADMP CC1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083230452 840816882 /nfs/dbraw/zinc/81/68/82/840816882.db2.gz AGKNBRQIHHRJEF-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244680 840828321 /nfs/dbraw/zinc/82/83/21/840828321.db2.gz GJFUEMSEVJJRBN-ZWKOTPCHSA-N 2 1 351.491 0.666 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083275650 840858247 /nfs/dbraw/zinc/85/82/47/840858247.db2.gz PLMIEFWMKWRADJ-ZGUYJTEBSA-N 2 1 351.491 0.809 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083284155 840868218 /nfs/dbraw/zinc/86/82/18/840868218.db2.gz SYBTVUHNWIHAAQ-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589587 844582889 /nfs/dbraw/zinc/58/28/89/844582889.db2.gz VCRLIXOAINJAGV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589587 844582892 /nfs/dbraw/zinc/58/28/92/844582892.db2.gz VCRLIXOAINJAGV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589587 844582894 /nfs/dbraw/zinc/58/28/94/844582894.db2.gz VCRLIXOAINJAGV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2C)C1 ZINC001102589587 844582897 /nfs/dbraw/zinc/58/28/97/844582897.db2.gz VCRLIXOAINJAGV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385581 840957020 /nfs/dbraw/zinc/95/70/20/840957020.db2.gz SEKNTMHBBIOSJW-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385581 840957025 /nfs/dbraw/zinc/95/70/25/840957025.db2.gz SEKNTMHBBIOSJW-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385581 840957034 /nfs/dbraw/zinc/95/70/34/840957034.db2.gz SEKNTMHBBIOSJW-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385581 840957044 /nfs/dbraw/zinc/95/70/44/840957044.db2.gz SEKNTMHBBIOSJW-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601333 844592139 /nfs/dbraw/zinc/59/21/39/844592139.db2.gz YHNHBKMBNIWRTD-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601333 844592148 /nfs/dbraw/zinc/59/21/48/844592148.db2.gz YHNHBKMBNIWRTD-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601333 844592152 /nfs/dbraw/zinc/59/21/52/844592152.db2.gz YHNHBKMBNIWRTD-HZPDHXFCSA-N 2 1 356.511 0.163 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102600257 844592880 /nfs/dbraw/zinc/59/28/80/844592880.db2.gz WINHVSNXIPWBOO-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472556 841047331 /nfs/dbraw/zinc/04/73/31/841047331.db2.gz DLNWSEAZPPLUBS-TUVASFSCSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472556 841047341 /nfs/dbraw/zinc/04/73/41/841047341.db2.gz DLNWSEAZPPLUBS-TUVASFSCSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472556 841047352 /nfs/dbraw/zinc/04/73/52/841047352.db2.gz DLNWSEAZPPLUBS-TUVASFSCSA-N 2 1 352.504 0.496 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3scnc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083474481 841049116 /nfs/dbraw/zinc/04/91/16/841049116.db2.gz JRZJVOQWUOUAQM-YJNKXOJESA-N 2 1 352.504 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3scnc3C)C[C@@H]2O)CC[N@H+]1C ZINC001083474481 841049124 /nfs/dbraw/zinc/04/91/24/841049124.db2.gz JRZJVOQWUOUAQM-YJNKXOJESA-N 2 1 352.504 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@@H]2O)CC[NH+]1C ZINC001083474481 841049135 /nfs/dbraw/zinc/04/91/35/841049135.db2.gz JRZJVOQWUOUAQM-YJNKXOJESA-N 2 1 352.504 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@@H]2O)CC[NH+]1C ZINC001083474481 841049143 /nfs/dbraw/zinc/04/91/43/841049143.db2.gz JRZJVOQWUOUAQM-YJNKXOJESA-N 2 1 352.504 0.843 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563615 841174152 /nfs/dbraw/zinc/17/41/52/841174152.db2.gz XRGGVMRGNAUVTK-CVEARBPZSA-N 2 1 364.515 0.723 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563615 841174156 /nfs/dbraw/zinc/17/41/56/841174156.db2.gz XRGGVMRGNAUVTK-CVEARBPZSA-N 2 1 364.515 0.723 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083594329 841213294 /nfs/dbraw/zinc/21/32/94/841213294.db2.gz WGWACNNEASJPTM-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083594329 841213306 /nfs/dbraw/zinc/21/33/06/841213306.db2.gz WGWACNNEASJPTM-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083594329 841213316 /nfs/dbraw/zinc/21/33/16/841213316.db2.gz WGWACNNEASJPTM-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083594329 841213327 /nfs/dbraw/zinc/21/33/27/841213327.db2.gz WGWACNNEASJPTM-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723390 841359787 /nfs/dbraw/zinc/35/97/87/841359787.db2.gz IFJHOZSEPXADLX-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723390 841359797 /nfs/dbraw/zinc/35/97/97/841359797.db2.gz IFJHOZSEPXADLX-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723390 841359811 /nfs/dbraw/zinc/35/98/11/841359811.db2.gz IFJHOZSEPXADLX-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2O)C1 ZINC001083723390 841359822 /nfs/dbraw/zinc/35/98/22/841359822.db2.gz IFJHOZSEPXADLX-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083783086 841434815 /nfs/dbraw/zinc/43/48/15/841434815.db2.gz ZFIDXZBHTQSKQZ-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083783086 841434817 /nfs/dbraw/zinc/43/48/17/841434817.db2.gz ZFIDXZBHTQSKQZ-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083783086 841434819 /nfs/dbraw/zinc/43/48/19/841434819.db2.gz ZFIDXZBHTQSKQZ-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083832924 841477308 /nfs/dbraw/zinc/47/73/08/841477308.db2.gz AOMIUOHHPSAAEZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078222 841687889 /nfs/dbraw/zinc/68/78/89/841687889.db2.gz RAMJFCLBYXTFPH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078222 841687894 /nfs/dbraw/zinc/68/78/94/841687894.db2.gz RAMJFCLBYXTFPH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078222 841687899 /nfs/dbraw/zinc/68/78/99/841687899.db2.gz RAMJFCLBYXTFPH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2O)C1 ZINC001084078222 841687907 /nfs/dbraw/zinc/68/79/07/841687907.db2.gz RAMJFCLBYXTFPH-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084405609 841788255 /nfs/dbraw/zinc/78/82/55/841788255.db2.gz VHHQHCNLLBIKCB-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084405609 841788259 /nfs/dbraw/zinc/78/82/59/841788259.db2.gz VHHQHCNLLBIKCB-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084405609 841788262 /nfs/dbraw/zinc/78/82/62/841788262.db2.gz VHHQHCNLLBIKCB-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084405609 841788267 /nfs/dbraw/zinc/78/82/67/841788267.db2.gz VHHQHCNLLBIKCB-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CC(OC)OC)CC1 ZINC001275878137 861239581 /nfs/dbraw/zinc/23/95/81/861239581.db2.gz HXOKMKAYBMACLG-UHFFFAOYSA-N 2 1 355.479 0.250 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878086 861240808 /nfs/dbraw/zinc/24/08/08/861240808.db2.gz GYTNUUJTSCEQSU-VQIMIIECSA-N 2 1 350.507 0.907 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275878759 861243235 /nfs/dbraw/zinc/24/32/35/861243235.db2.gz LKRIGNCMBQILGY-LJQANCHMSA-N 2 1 351.491 0.668 20 0 FCADMP CCNC(=O)CN1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001275880587 861245704 /nfs/dbraw/zinc/24/57/04/861245704.db2.gz UTMGKMLORHTLEX-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664296 841877402 /nfs/dbraw/zinc/87/74/02/841877402.db2.gz PRSWFONWQSRFLY-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664296 841877420 /nfs/dbraw/zinc/87/74/20/841877420.db2.gz PRSWFONWQSRFLY-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664296 841877431 /nfs/dbraw/zinc/87/74/31/841877431.db2.gz PRSWFONWQSRFLY-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664296 841877445 /nfs/dbraw/zinc/87/74/45/841877445.db2.gz PRSWFONWQSRFLY-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778057 841915213 /nfs/dbraw/zinc/91/52/13/841915213.db2.gz CYSUQODGSLAEFP-ARFHVFGLSA-N 2 1 367.515 0.050 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778057 841915217 /nfs/dbraw/zinc/91/52/17/841915217.db2.gz CYSUQODGSLAEFP-ARFHVFGLSA-N 2 1 367.515 0.050 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001085004932 841987730 /nfs/dbraw/zinc/98/77/30/841987730.db2.gz WROHCFFBBLWEOV-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001085004932 841987733 /nfs/dbraw/zinc/98/77/33/841987733.db2.gz WROHCFFBBLWEOV-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)CC[N@H+]1C ZINC001085016923 841990013 /nfs/dbraw/zinc/99/00/13/841990013.db2.gz WGDKICPHOGRSAD-YVSFHVDLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)CC[NH+]1C ZINC001085016923 841990021 /nfs/dbraw/zinc/99/00/21/841990021.db2.gz WGDKICPHOGRSAD-YVSFHVDLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)CC[NH+]1C ZINC001085016923 841990030 /nfs/dbraw/zinc/99/00/30/841990030.db2.gz WGDKICPHOGRSAD-YVSFHVDLSA-N 2 1 350.507 0.728 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014201 841990615 /nfs/dbraw/zinc/99/06/15/841990615.db2.gz KXRGGYJGPNIJGV-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014201 841990622 /nfs/dbraw/zinc/99/06/22/841990622.db2.gz KXRGGYJGPNIJGV-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)C1 ZINC001085014201 841990626 /nfs/dbraw/zinc/99/06/26/841990626.db2.gz KXRGGYJGPNIJGV-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001085049880 841999558 /nfs/dbraw/zinc/99/95/58/841999558.db2.gz HCIREVNMERYSAZ-SJORKVTESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001085049880 841999562 /nfs/dbraw/zinc/99/95/62/841999562.db2.gz HCIREVNMERYSAZ-SJORKVTESA-N 2 1 371.547 0.686 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085093700 842014535 /nfs/dbraw/zinc/01/45/35/842014535.db2.gz WHTNAJHKRKIWRL-ZACQAIPSSA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085093700 842014544 /nfs/dbraw/zinc/01/45/44/842014544.db2.gz WHTNAJHKRKIWRL-ZACQAIPSSA-N 2 1 369.531 0.440 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100601 842018727 /nfs/dbraw/zinc/01/87/27/842018727.db2.gz PKGIELWTHKHWAN-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100940 842019245 /nfs/dbraw/zinc/01/92/45/842019245.db2.gz MEIQGPHTZBRUSP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100940 842019254 /nfs/dbraw/zinc/01/92/54/842019254.db2.gz MEIQGPHTZBRUSP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100940 842019264 /nfs/dbraw/zinc/01/92/64/842019264.db2.gz MEIQGPHTZBRUSP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100940 842019278 /nfs/dbraw/zinc/01/92/78/842019278.db2.gz MEIQGPHTZBRUSP-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085393947 842092874 /nfs/dbraw/zinc/09/28/74/842092874.db2.gz PEUAWPJFYIDOQS-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001086400825 842130714 /nfs/dbraw/zinc/13/07/14/842130714.db2.gz YQLOGVBMXIWEJI-RGCMKSIDSA-N 2 1 352.435 0.387 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001086400825 842130724 /nfs/dbraw/zinc/13/07/24/842130724.db2.gz YQLOGVBMXIWEJI-RGCMKSIDSA-N 2 1 352.435 0.387 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001086659324 842143885 /nfs/dbraw/zinc/14/38/85/842143885.db2.gz RVKOVCUVTPVOJG-MJBXVCDLSA-N 2 1 351.451 0.685 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001086659324 842143891 /nfs/dbraw/zinc/14/38/91/842143891.db2.gz RVKOVCUVTPVOJG-MJBXVCDLSA-N 2 1 351.451 0.685 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001086659422 842144571 /nfs/dbraw/zinc/14/45/71/842144571.db2.gz VRIMUYBEYGLLLS-BBWFWOEESA-N 2 1 371.547 0.780 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC[NH+](CCCO)CC2 ZINC001086928473 842192753 /nfs/dbraw/zinc/19/27/53/842192753.db2.gz FMXSZIXAUDGJQL-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC[NH+](CCCO)CC2 ZINC001086928473 842192757 /nfs/dbraw/zinc/19/27/57/842192757.db2.gz FMXSZIXAUDGJQL-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087035241 842232162 /nfs/dbraw/zinc/23/21/62/842232162.db2.gz RSHZBQLCWFCOMJ-QLFBSQMISA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087035241 842232171 /nfs/dbraw/zinc/23/21/71/842232171.db2.gz RSHZBQLCWFCOMJ-QLFBSQMISA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087062757 842259044 /nfs/dbraw/zinc/25/90/44/842259044.db2.gz SYOLLPDYGLHVAW-RBSFLKMASA-N 2 1 353.467 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087062944 842259347 /nfs/dbraw/zinc/25/93/47/842259347.db2.gz BNCIPUUIMLZVCZ-RBSFLKMASA-N 2 1 367.519 0.976 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087577829 842362837 /nfs/dbraw/zinc/36/28/37/842362837.db2.gz LWXBCVXRISVVDK-MXASKKJJSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087577829 842362849 /nfs/dbraw/zinc/36/28/49/842362849.db2.gz LWXBCVXRISVVDK-MXASKKJJSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087577829 842362859 /nfs/dbraw/zinc/36/28/59/842362859.db2.gz LWXBCVXRISVVDK-MXASKKJJSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087726549 842416550 /nfs/dbraw/zinc/41/65/50/842416550.db2.gz KLGGQDIUYCEZRS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087726549 842416556 /nfs/dbraw/zinc/41/65/56/842416556.db2.gz KLGGQDIUYCEZRS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087726549 842416567 /nfs/dbraw/zinc/41/65/67/842416567.db2.gz KLGGQDIUYCEZRS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087726549 842416575 /nfs/dbraw/zinc/41/65/75/842416575.db2.gz KLGGQDIUYCEZRS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087827648 842440717 /nfs/dbraw/zinc/44/07/17/842440717.db2.gz DGBJSPNSTWELBC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087827648 842440724 /nfs/dbraw/zinc/44/07/24/842440724.db2.gz DGBJSPNSTWELBC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087827648 842440729 /nfs/dbraw/zinc/44/07/29/842440729.db2.gz DGBJSPNSTWELBC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087828201 842441527 /nfs/dbraw/zinc/44/15/27/842441527.db2.gz DJYOAXIZLWCOEF-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087828201 842441534 /nfs/dbraw/zinc/44/15/34/842441534.db2.gz DJYOAXIZLWCOEF-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087828201 842441539 /nfs/dbraw/zinc/44/15/39/842441539.db2.gz DJYOAXIZLWCOEF-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986555 842491876 /nfs/dbraw/zinc/49/18/76/842491876.db2.gz QWCQZMOKLCDQPO-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986555 842491879 /nfs/dbraw/zinc/49/18/79/842491879.db2.gz QWCQZMOKLCDQPO-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986555 842491882 /nfs/dbraw/zinc/49/18/82/842491882.db2.gz QWCQZMOKLCDQPO-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001087986555 842491884 /nfs/dbraw/zinc/49/18/84/842491884.db2.gz QWCQZMOKLCDQPO-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088010767 842499234 /nfs/dbraw/zinc/49/92/34/842499234.db2.gz JNZRHBLLMOPFKS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064583 842521837 /nfs/dbraw/zinc/52/18/37/842521837.db2.gz LSWNEROPPOYTFB-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH+](CCO)C3)CC2)CC[N@H+]1C ZINC001088234138 842565992 /nfs/dbraw/zinc/56/59/92/842565992.db2.gz JQJKHNIWNUGBKZ-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[N@H+](CCO)C3)CC2)CC[NH+]1C ZINC001088234138 842566004 /nfs/dbraw/zinc/56/60/04/842566004.db2.gz JQJKHNIWNUGBKZ-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[N@@H+](CCO)C3)CC2)CC[NH+]1C ZINC001088234138 842566012 /nfs/dbraw/zinc/56/60/12/842566012.db2.gz JQJKHNIWNUGBKZ-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088835730 842690567 /nfs/dbraw/zinc/69/05/67/842690567.db2.gz LGWOTLURXPHLNA-PBHICJAKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088835730 842690572 /nfs/dbraw/zinc/69/05/72/842690572.db2.gz LGWOTLURXPHLNA-PBHICJAKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCCN1CCCC1=O ZINC001088981202 842734328 /nfs/dbraw/zinc/73/43/28/842734328.db2.gz HOTFYHJRPIPHTI-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001088981202 842734333 /nfs/dbraw/zinc/73/43/33/842734333.db2.gz HOTFYHJRPIPHTI-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001088981202 842734340 /nfs/dbraw/zinc/73/43/40/842734340.db2.gz HOTFYHJRPIPHTI-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@@H+](CCCF)C2 ZINC001091868407 843116687 /nfs/dbraw/zinc/11/66/87/843116687.db2.gz PVADTEZPFNQTJC-IXUXSNFZSA-N 2 1 351.466 0.990 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]1C[NH+](CCCF)C2 ZINC001091868407 843116693 /nfs/dbraw/zinc/11/66/93/843116693.db2.gz PVADTEZPFNQTJC-IXUXSNFZSA-N 2 1 351.466 0.990 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]1C[NH+](CCCF)C2 ZINC001091868407 843116699 /nfs/dbraw/zinc/11/66/99/843116699.db2.gz PVADTEZPFNQTJC-IXUXSNFZSA-N 2 1 351.466 0.990 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145902 843164765 /nfs/dbraw/zinc/16/47/65/843164765.db2.gz VOFKIWDDSKOFGE-FCEWJHQRSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510763 843224947 /nfs/dbraw/zinc/22/49/47/843224947.db2.gz YSTTUKNWYHCEJX-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092510763 843224958 /nfs/dbraw/zinc/22/49/58/843224958.db2.gz YSTTUKNWYHCEJX-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092510763 843224968 /nfs/dbraw/zinc/22/49/68/843224968.db2.gz YSTTUKNWYHCEJX-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092610934 843251573 /nfs/dbraw/zinc/25/15/73/843251573.db2.gz ACSKEOROAHENQW-BMFZPTHFSA-N 2 1 357.520 0.057 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092610934 843251582 /nfs/dbraw/zinc/25/15/82/843251582.db2.gz ACSKEOROAHENQW-BMFZPTHFSA-N 2 1 357.520 0.057 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615773 843251957 /nfs/dbraw/zinc/25/19/57/843251957.db2.gz PEIIODIIRXBHSP-BZUAXINKSA-N 2 1 351.495 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828557 843316060 /nfs/dbraw/zinc/31/60/60/843316060.db2.gz LZYZWENZPZFKAC-UKRRQHHQSA-N 2 1 364.471 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828557 843316069 /nfs/dbraw/zinc/31/60/69/843316069.db2.gz LZYZWENZPZFKAC-UKRRQHHQSA-N 2 1 364.471 0.677 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092909969 843338621 /nfs/dbraw/zinc/33/86/21/843338621.db2.gz NNDZUGLELQZXOX-FXUDXRNXSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092909969 843338633 /nfs/dbraw/zinc/33/86/33/843338633.db2.gz NNDZUGLELQZXOX-FXUDXRNXSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001092909969 843338647 /nfs/dbraw/zinc/33/86/47/843338647.db2.gz NNDZUGLELQZXOX-FXUDXRNXSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001092909969 843338667 /nfs/dbraw/zinc/33/86/67/843338667.db2.gz NNDZUGLELQZXOX-FXUDXRNXSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194210 843403826 /nfs/dbraw/zinc/40/38/26/843403826.db2.gz XOVQRUCJSXOKPB-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194210 843403831 /nfs/dbraw/zinc/40/38/31/843403831.db2.gz XOVQRUCJSXOKPB-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194210 843403833 /nfs/dbraw/zinc/40/38/33/843403833.db2.gz XOVQRUCJSXOKPB-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209049 843409115 /nfs/dbraw/zinc/40/91/15/843409115.db2.gz QAIMZTWVPXZPEH-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209049 843409119 /nfs/dbraw/zinc/40/91/19/843409119.db2.gz QAIMZTWVPXZPEH-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209049 843409124 /nfs/dbraw/zinc/40/91/24/843409124.db2.gz QAIMZTWVPXZPEH-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209049 843409128 /nfs/dbraw/zinc/40/91/28/843409128.db2.gz QAIMZTWVPXZPEH-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225609 843413464 /nfs/dbraw/zinc/41/34/64/843413464.db2.gz QAHUASNRWUWAKM-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225609 843413472 /nfs/dbraw/zinc/41/34/72/843413472.db2.gz QAHUASNRWUWAKM-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225609 843413478 /nfs/dbraw/zinc/41/34/78/843413478.db2.gz QAHUASNRWUWAKM-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001093459611 843436808 /nfs/dbraw/zinc/43/68/08/843436808.db2.gz VDZAEPIQQKQZFX-AHCXZYCDSA-N 2 1 350.463 0.150 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691218 843457448 /nfs/dbraw/zinc/45/74/48/843457448.db2.gz NBJFNNNVQHSWKC-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)sn1 ZINC001093691218 843457452 /nfs/dbraw/zinc/45/74/52/843457452.db2.gz NBJFNNNVQHSWKC-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)s1 ZINC001094110754 843516957 /nfs/dbraw/zinc/51/69/57/843516957.db2.gz MLWVNKOMFWOXKE-UKRRQHHQSA-N 2 1 367.519 0.753 20 0 FCADMP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094111111 843517105 /nfs/dbraw/zinc/51/71/05/843517105.db2.gz XKJPNAFRBNFBAL-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)no1 ZINC001094113927 843518574 /nfs/dbraw/zinc/51/85/74/843518574.db2.gz LCVJXXVLOFJHRX-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001094219003 843531660 /nfs/dbraw/zinc/53/16/60/843531660.db2.gz BLTGTAVZMJCRTE-HZSPNIEDSA-N 2 1 366.535 0.740 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001094219003 843531668 /nfs/dbraw/zinc/53/16/68/843531668.db2.gz BLTGTAVZMJCRTE-HZSPNIEDSA-N 2 1 366.535 0.740 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)C1 ZINC001094231921 843535481 /nfs/dbraw/zinc/53/54/81/843535481.db2.gz FFFYOVMYGWAJIO-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)C1 ZINC001094231921 843535493 /nfs/dbraw/zinc/53/54/93/843535493.db2.gz FFFYOVMYGWAJIO-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094380656 843546904 /nfs/dbraw/zinc/54/69/04/843546904.db2.gz WEMFGERANKBLCZ-ZMSDIMECSA-N 2 1 357.520 0.486 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094380656 843546909 /nfs/dbraw/zinc/54/69/09/843546909.db2.gz WEMFGERANKBLCZ-ZMSDIMECSA-N 2 1 357.520 0.486 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001094380656 843546915 /nfs/dbraw/zinc/54/69/15/843546915.db2.gz WEMFGERANKBLCZ-ZMSDIMECSA-N 2 1 357.520 0.486 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001094380656 843546924 /nfs/dbraw/zinc/54/69/24/843546924.db2.gz WEMFGERANKBLCZ-ZMSDIMECSA-N 2 1 357.520 0.486 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094497026 843557907 /nfs/dbraw/zinc/55/79/07/843557907.db2.gz LRSTZVAYCHSFKI-GPMSIDNRSA-N 2 1 350.507 0.955 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC001094497026 843557915 /nfs/dbraw/zinc/55/79/15/843557915.db2.gz LRSTZVAYCHSFKI-GPMSIDNRSA-N 2 1 350.507 0.955 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC001094497026 843557921 /nfs/dbraw/zinc/55/79/21/843557921.db2.gz LRSTZVAYCHSFKI-GPMSIDNRSA-N 2 1 350.507 0.955 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094584942 843563535 /nfs/dbraw/zinc/56/35/35/843563535.db2.gz JTJFWNJPMGTXOB-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2 ZINC001094584942 843563541 /nfs/dbraw/zinc/56/35/41/843563541.db2.gz JTJFWNJPMGTXOB-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001094584942 843563549 /nfs/dbraw/zinc/56/35/49/843563549.db2.gz JTJFWNJPMGTXOB-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001096355937 843792576 /nfs/dbraw/zinc/79/25/76/843792576.db2.gz IJFYAJKJCGXGRP-WCVJEAGWSA-N 2 1 367.515 0.238 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001096355937 843792587 /nfs/dbraw/zinc/79/25/87/843792587.db2.gz IJFYAJKJCGXGRP-WCVJEAGWSA-N 2 1 367.515 0.238 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001097216143 843854131 /nfs/dbraw/zinc/85/41/31/843854131.db2.gz SBPFGLTVEPBBMY-BDXSIMOUSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001097216143 843854134 /nfs/dbraw/zinc/85/41/34/843854134.db2.gz SBPFGLTVEPBBMY-BDXSIMOUSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001097216143 843854140 /nfs/dbraw/zinc/85/41/40/843854140.db2.gz SBPFGLTVEPBBMY-BDXSIMOUSA-N 2 1 351.491 0.734 20 0 FCADMP CCOCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098405007 843915815 /nfs/dbraw/zinc/91/58/15/843915815.db2.gz YGJCILVGJBKICI-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098405007 843915825 /nfs/dbraw/zinc/91/58/25/843915825.db2.gz YGJCILVGJBKICI-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098405007 843915830 /nfs/dbraw/zinc/91/58/30/843915830.db2.gz YGJCILVGJBKICI-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098405007 843915838 /nfs/dbraw/zinc/91/58/38/843915838.db2.gz YGJCILVGJBKICI-NVXWUHKLSA-N 2 1 357.495 0.027 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030869 843956898 /nfs/dbraw/zinc/95/68/98/843956898.db2.gz HDGYPJMJOHBCLW-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030869 843956902 /nfs/dbraw/zinc/95/69/02/843956902.db2.gz HDGYPJMJOHBCLW-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099030869 843956906 /nfs/dbraw/zinc/95/69/06/843956906.db2.gz HDGYPJMJOHBCLW-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062842 843958639 /nfs/dbraw/zinc/95/86/39/843958639.db2.gz JSCBHGKLJUEPOF-ALKREAHSSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCOCCO)CC[N@H+]1C ZINC001099080175 843960571 /nfs/dbraw/zinc/96/05/71/843960571.db2.gz NJXBWJQKRDLESF-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCOCCO)CC[NH+]1C ZINC001099080175 843960576 /nfs/dbraw/zinc/96/05/76/843960576.db2.gz NJXBWJQKRDLESF-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCOCCO)CC[NH+]1C ZINC001099080175 843960582 /nfs/dbraw/zinc/96/05/82/843960582.db2.gz NJXBWJQKRDLESF-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)C1 ZINC001099119805 843963871 /nfs/dbraw/zinc/96/38/71/843963871.db2.gz VMSVZGFYSDMKNP-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCS(C)(=O)=O)C3)C1 ZINC001099119805 843963878 /nfs/dbraw/zinc/96/38/78/843963878.db2.gz VMSVZGFYSDMKNP-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)C1 ZINC001099119805 843963883 /nfs/dbraw/zinc/96/38/83/843963883.db2.gz VMSVZGFYSDMKNP-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)C1 ZINC001099119805 843963889 /nfs/dbraw/zinc/96/38/89/843963889.db2.gz VMSVZGFYSDMKNP-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099262008 843996073 /nfs/dbraw/zinc/99/60/73/843996073.db2.gz BHRBXGSJSSXKKL-YNEHKIRRSA-N 2 1 364.412 0.429 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099262008 843996076 /nfs/dbraw/zinc/99/60/76/843996076.db2.gz BHRBXGSJSSXKKL-YNEHKIRRSA-N 2 1 364.412 0.429 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C(F)(F)F ZINC001099279568 844003079 /nfs/dbraw/zinc/00/30/79/844003079.db2.gz KUPDJUHHDFRTPN-VXGBXAGGSA-N 2 1 355.320 0.412 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099288143 844005639 /nfs/dbraw/zinc/00/56/39/844005639.db2.gz BXHBCWXQEKUJNN-QJPTWQEYSA-N 2 1 364.412 0.714 20 0 FCADMP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819618 844652589 /nfs/dbraw/zinc/65/25/89/844652589.db2.gz XOQNBYPIFUMZFB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819618 844652596 /nfs/dbraw/zinc/65/25/96/844652596.db2.gz XOQNBYPIFUMZFB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1conc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819618 844652604 /nfs/dbraw/zinc/65/26/04/844652604.db2.gz XOQNBYPIFUMZFB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1conc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819618 844652608 /nfs/dbraw/zinc/65/26/08/844652608.db2.gz XOQNBYPIFUMZFB-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818647 844653223 /nfs/dbraw/zinc/65/32/23/844653223.db2.gz ASJXLLHQALMYEA-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818647 844653226 /nfs/dbraw/zinc/65/32/26/844653226.db2.gz ASJXLLHQALMYEA-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818647 844653230 /nfs/dbraw/zinc/65/32/30/844653230.db2.gz ASJXLLHQALMYEA-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818647 844653233 /nfs/dbraw/zinc/65/32/33/844653233.db2.gz ASJXLLHQALMYEA-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001102999988 844681567 /nfs/dbraw/zinc/68/15/67/844681567.db2.gz MJZRDYXWLISBSO-HZPDHXFCSA-N 2 1 351.495 0.515 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001103085316 844697769 /nfs/dbraw/zinc/69/77/69/844697769.db2.gz PRQMLRWBECPRMF-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001103085316 844697771 /nfs/dbraw/zinc/69/77/71/844697771.db2.gz PRQMLRWBECPRMF-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001103085316 844697774 /nfs/dbraw/zinc/69/77/74/844697774.db2.gz PRQMLRWBECPRMF-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375026 844744519 /nfs/dbraw/zinc/74/45/19/844744519.db2.gz VVTJTPHMGLOEGM-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374998 844744591 /nfs/dbraw/zinc/74/45/91/844744591.db2.gz UQEBFCUOJFOQBN-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375065 844745443 /nfs/dbraw/zinc/74/54/43/844745443.db2.gz XNDQPXCUHDGSBJ-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378810 844746049 /nfs/dbraw/zinc/74/60/49/844746049.db2.gz LKLIPIMPLJISMO-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395917 844750761 /nfs/dbraw/zinc/75/07/61/844750761.db2.gz SJHHENJHMVYFJN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435908 844757606 /nfs/dbraw/zinc/75/76/06/844757606.db2.gz DDDMRORQEFGTQH-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103435908 844757611 /nfs/dbraw/zinc/75/76/11/844757611.db2.gz DDDMRORQEFGTQH-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103435908 844757617 /nfs/dbraw/zinc/75/76/17/844757617.db2.gz DDDMRORQEFGTQH-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438517 844759481 /nfs/dbraw/zinc/75/94/81/844759481.db2.gz NQROJWZIVCKYRW-BRWVUGGUSA-N 2 1 355.523 0.800 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438517 844759490 /nfs/dbraw/zinc/75/94/90/844759490.db2.gz NQROJWZIVCKYRW-BRWVUGGUSA-N 2 1 355.523 0.800 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438517 844759494 /nfs/dbraw/zinc/75/94/94/844759494.db2.gz NQROJWZIVCKYRW-BRWVUGGUSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@@H](COCC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001103448575 844760379 /nfs/dbraw/zinc/76/03/79/844760379.db2.gz TVKSEBXPZQDMTK-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570770 844782803 /nfs/dbraw/zinc/78/28/03/844782803.db2.gz FJWOBMMUTRGVDM-IAGOWNOFSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103571059 844783168 /nfs/dbraw/zinc/78/31/68/844783168.db2.gz TWLDAHAVPBLERA-IAGOWNOFSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718769 844807553 /nfs/dbraw/zinc/80/75/53/844807553.db2.gz DRQVBAKBIRGKJD-ZACQAIPSSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718769 844807556 /nfs/dbraw/zinc/80/75/56/844807556.db2.gz DRQVBAKBIRGKJD-ZACQAIPSSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718769 844807563 /nfs/dbraw/zinc/80/75/63/844807563.db2.gz DRQVBAKBIRGKJD-ZACQAIPSSA-N 2 1 352.523 0.881 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753382 844816002 /nfs/dbraw/zinc/81/60/02/844816002.db2.gz FUBQQRVXMVULQE-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211136 844877761 /nfs/dbraw/zinc/87/77/61/844877761.db2.gz TUYXOBALBNCSTE-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104353849 844897187 /nfs/dbraw/zinc/89/71/87/844897187.db2.gz JQYRYCVPXLMQCH-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104676827 844932495 /nfs/dbraw/zinc/93/24/95/844932495.db2.gz ZNRXMQVEWJNTNB-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](O)CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794776 844944802 /nfs/dbraw/zinc/94/48/02/844944802.db2.gz GKHUKQMYKMODEU-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCCO ZINC001104793834 844944888 /nfs/dbraw/zinc/94/48/88/844944888.db2.gz KRHIEVWKQUBDDA-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001104908318 844958805 /nfs/dbraw/zinc/95/88/05/844958805.db2.gz RIUDPGUTSPPCMW-UKRRQHHQSA-N 2 1 353.467 0.530 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001105017246 844969210 /nfs/dbraw/zinc/96/92/10/844969210.db2.gz XAYGMYGYZKIVHO-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667276 845013415 /nfs/dbraw/zinc/01/34/15/845013415.db2.gz AFOFIIBBCBKPJK-FPAYPSAMSA-N 2 1 355.523 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001105945322 845064906 /nfs/dbraw/zinc/06/49/06/845064906.db2.gz SYGPCYJWFLJNHD-MCIONIFRSA-N 2 1 365.503 0.860 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1 ZINC001105974041 845071779 /nfs/dbraw/zinc/07/17/79/845071779.db2.gz LKFCKKLRAWZUQM-IIAWOOMASA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCn1cc(Cl)cn1 ZINC001105974041 845071785 /nfs/dbraw/zinc/07/17/85/845071785.db2.gz LKFCKKLRAWZUQM-IIAWOOMASA-N 2 1 369.897 0.551 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106111978 845102553 /nfs/dbraw/zinc/10/25/53/845102553.db2.gz UNSLGNHVGQOHQO-OAGGEKHMSA-N 2 1 359.536 0.588 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148590 845115124 /nfs/dbraw/zinc/11/51/24/845115124.db2.gz UCZYNXSDSFCDTC-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)CC[N@H+]1C ZINC001106149308 845115304 /nfs/dbraw/zinc/11/53/04/845115304.db2.gz DWVXBJDTBSJAPO-KLHDSHLOSA-N 2 1 351.495 0.036 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106255499 845144557 /nfs/dbraw/zinc/14/45/57/845144557.db2.gz VWAUBAGZROHRDU-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310128 845153218 /nfs/dbraw/zinc/15/32/18/845153218.db2.gz MJVKVCMKGZXUOB-QBPKDAKJSA-N 2 1 357.495 0.053 20 0 FCADMP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310128 845153222 /nfs/dbraw/zinc/15/32/22/845153222.db2.gz MJVKVCMKGZXUOB-QBPKDAKJSA-N 2 1 357.495 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106321810 845153875 /nfs/dbraw/zinc/15/38/75/845153875.db2.gz FMMCGDJIKOXQAB-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106321827 845154211 /nfs/dbraw/zinc/15/42/11/845154211.db2.gz FQXTWTAMDABHSI-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001106840189 845266053 /nfs/dbraw/zinc/26/60/53/845266053.db2.gz CLCODMIZBLJXMK-HUUCEWRRSA-N 2 1 351.499 0.780 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106839458 845266212 /nfs/dbraw/zinc/26/62/12/845266212.db2.gz JGSDEJLISSBDTA-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106881837 845278576 /nfs/dbraw/zinc/27/85/76/845278576.db2.gz LVGPRVICICEVEZ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106905424 845283074 /nfs/dbraw/zinc/28/30/74/845283074.db2.gz OWEDVLNFBBDXNA-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106904063 845283108 /nfs/dbraw/zinc/28/31/08/845283108.db2.gz YOJGZZMKZPOCTI-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106907758 845284504 /nfs/dbraw/zinc/28/45/04/845284504.db2.gz BHLGHIRWWQRWIG-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106982986 845299866 /nfs/dbraw/zinc/29/98/66/845299866.db2.gz RGVLTTLLIIYRIC-FRRDWIJNSA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106981433 845299880 /nfs/dbraw/zinc/29/98/80/845299880.db2.gz NVPAZGWKDWFXPM-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001107038642 845317041 /nfs/dbraw/zinc/31/70/41/845317041.db2.gz BLQSYMIQKOELHA-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410895 845368658 /nfs/dbraw/zinc/36/86/58/845368658.db2.gz ZUROUSBJUQCXAP-YKTARERQSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410895 845368662 /nfs/dbraw/zinc/36/86/62/845368662.db2.gz ZUROUSBJUQCXAP-YKTARERQSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410895 845368669 /nfs/dbraw/zinc/36/86/69/845368669.db2.gz ZUROUSBJUQCXAP-YKTARERQSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CCC1 ZINC001107437008 845374134 /nfs/dbraw/zinc/37/41/34/845374134.db2.gz ZCLZSGCMJFTXDV-NVXWUHKLSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CCC1 ZINC001107437008 845374140 /nfs/dbraw/zinc/37/41/40/845374140.db2.gz ZCLZSGCMJFTXDV-NVXWUHKLSA-N 2 1 371.547 0.876 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521104 845390100 /nfs/dbraw/zinc/39/01/00/845390100.db2.gz MGGZRJFTDUMXIP-CRAIPNDOSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107522771 845390200 /nfs/dbraw/zinc/39/02/00/845390200.db2.gz SQIXGIGGJJIKST-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609208 845407272 /nfs/dbraw/zinc/40/72/72/845407272.db2.gz IGQMWTZSKJDAAH-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609208 845407275 /nfs/dbraw/zinc/40/72/75/845407275.db2.gz IGQMWTZSKJDAAH-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609208 845407278 /nfs/dbraw/zinc/40/72/78/845407278.db2.gz IGQMWTZSKJDAAH-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633275 845412239 /nfs/dbraw/zinc/41/22/39/845412239.db2.gz QEHBNNUIAUTVJM-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107646779 845414647 /nfs/dbraw/zinc/41/46/47/845414647.db2.gz VWXHIEZISQCARU-NVXWUHKLSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107646779 845414652 /nfs/dbraw/zinc/41/46/52/845414652.db2.gz VWXHIEZISQCARU-NVXWUHKLSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107646779 845414655 /nfs/dbraw/zinc/41/46/55/845414655.db2.gz VWXHIEZISQCARU-NVXWUHKLSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107646779 845414657 /nfs/dbraw/zinc/41/46/57/845414657.db2.gz VWXHIEZISQCARU-NVXWUHKLSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CC3CCOCC3)CCO2)CC[N@H+]1C ZINC001107952887 845419064 /nfs/dbraw/zinc/41/90/64/845419064.db2.gz MYJCUELFWPNHGX-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001107952887 845419066 /nfs/dbraw/zinc/41/90/66/845419066.db2.gz MYJCUELFWPNHGX-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001107952887 845419068 /nfs/dbraw/zinc/41/90/68/845419068.db2.gz MYJCUELFWPNHGX-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305432 845618751 /nfs/dbraw/zinc/61/87/51/845618751.db2.gz IULWLPCRJFHVDY-MTSZKFMLSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305432 845618757 /nfs/dbraw/zinc/61/87/57/845618757.db2.gz IULWLPCRJFHVDY-MTSZKFMLSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305432 845618760 /nfs/dbraw/zinc/61/87/60/845618760.db2.gz IULWLPCRJFHVDY-MTSZKFMLSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305432 845618764 /nfs/dbraw/zinc/61/87/64/845618764.db2.gz IULWLPCRJFHVDY-MTSZKFMLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109396814 845643935 /nfs/dbraw/zinc/64/39/35/845643935.db2.gz KBMNZXHGIWOBOO-MHORFTMASA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109396814 845643940 /nfs/dbraw/zinc/64/39/40/845643940.db2.gz KBMNZXHGIWOBOO-MHORFTMASA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109396814 845643941 /nfs/dbraw/zinc/64/39/41/845643941.db2.gz KBMNZXHGIWOBOO-MHORFTMASA-N 2 1 353.507 0.695 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109417645 845648892 /nfs/dbraw/zinc/64/88/92/845648892.db2.gz IKTLHAKDNHRBNV-WCVJEAGWSA-N 2 1 372.535 0.132 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109417645 845648898 /nfs/dbraw/zinc/64/88/98/845648898.db2.gz IKTLHAKDNHRBNV-WCVJEAGWSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109417645 845648908 /nfs/dbraw/zinc/64/89/08/845648908.db2.gz IKTLHAKDNHRBNV-WCVJEAGWSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109417645 845648915 /nfs/dbraw/zinc/64/89/15/845648915.db2.gz IKTLHAKDNHRBNV-WCVJEAGWSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109653682 845705584 /nfs/dbraw/zinc/70/55/84/845705584.db2.gz BYUOTJIPSHAGNP-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109653682 845705589 /nfs/dbraw/zinc/70/55/89/845705589.db2.gz BYUOTJIPSHAGNP-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001109654106 845706011 /nfs/dbraw/zinc/70/60/11/845706011.db2.gz WLVGKVWTYLQIRX-PMPSAXMXSA-N 2 1 372.535 0.085 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001109654106 845706015 /nfs/dbraw/zinc/70/60/15/845706015.db2.gz WLVGKVWTYLQIRX-PMPSAXMXSA-N 2 1 372.535 0.085 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CC1 ZINC001109670220 845711362 /nfs/dbraw/zinc/71/13/62/845711362.db2.gz RFUCKOCVFLFUOV-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CC1 ZINC001109670220 845711370 /nfs/dbraw/zinc/71/13/70/845711370.db2.gz RFUCKOCVFLFUOV-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844883 845746994 /nfs/dbraw/zinc/74/69/94/845746994.db2.gz LKVPYXZKHCZZRM-NCOADZHNSA-N 2 1 350.463 0.701 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844883 845747001 /nfs/dbraw/zinc/74/70/01/845747001.db2.gz LKVPYXZKHCZZRM-NCOADZHNSA-N 2 1 350.463 0.701 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975955 845770008 /nfs/dbraw/zinc/77/00/08/845770008.db2.gz LQRVAANXCYOEFI-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975955 845770015 /nfs/dbraw/zinc/77/00/15/845770015.db2.gz LQRVAANXCYOEFI-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975955 845770020 /nfs/dbraw/zinc/77/00/20/845770020.db2.gz LQRVAANXCYOEFI-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975955 845770026 /nfs/dbraw/zinc/77/00/26/845770026.db2.gz LQRVAANXCYOEFI-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001110014976 845777611 /nfs/dbraw/zinc/77/76/11/845777611.db2.gz QTPSSTLRFQHIAF-CBBWQLFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001110014976 845777622 /nfs/dbraw/zinc/77/76/22/845777622.db2.gz QTPSSTLRFQHIAF-CBBWQLFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110014976 845777630 /nfs/dbraw/zinc/77/76/30/845777630.db2.gz QTPSSTLRFQHIAF-CBBWQLFWSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110014976 845777636 /nfs/dbraw/zinc/77/76/36/845777636.db2.gz QTPSSTLRFQHIAF-CBBWQLFWSA-N 2 1 350.463 0.245 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)C)CC[N@@H+]1C ZINC001110576655 845921501 /nfs/dbraw/zinc/92/15/01/845921501.db2.gz UQHAZWPXZAEPJC-JJTUDDRGSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)C)CC[N@H+]1C ZINC001110576655 845921504 /nfs/dbraw/zinc/92/15/04/845921504.db2.gz UQHAZWPXZAEPJC-JJTUDDRGSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CC[NH+]1C ZINC001110576655 845921507 /nfs/dbraw/zinc/92/15/07/845921507.db2.gz UQHAZWPXZAEPJC-JJTUDDRGSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)C)CC[NH+]1C ZINC001110576655 845921510 /nfs/dbraw/zinc/92/15/10/845921510.db2.gz UQHAZWPXZAEPJC-JJTUDDRGSA-N 2 1 350.507 0.963 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666323 845944061 /nfs/dbraw/zinc/94/40/61/845944061.db2.gz HJINWWBETARJDN-XLMAVXFVSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666323 845944071 /nfs/dbraw/zinc/94/40/71/845944071.db2.gz HJINWWBETARJDN-XLMAVXFVSA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001110738583 845962895 /nfs/dbraw/zinc/96/28/95/845962895.db2.gz IUJKOCDROKABSJ-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)C1CC1 ZINC001110738583 845962900 /nfs/dbraw/zinc/96/29/00/845962900.db2.gz IUJKOCDROKABSJ-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110738583 845962905 /nfs/dbraw/zinc/96/29/05/845962905.db2.gz IUJKOCDROKABSJ-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110738583 845962911 /nfs/dbraw/zinc/96/29/11/845962911.db2.gz IUJKOCDROKABSJ-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110959707 846001947 /nfs/dbraw/zinc/00/19/47/846001947.db2.gz XYRXPQTVXNYHBR-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110959707 846001956 /nfs/dbraw/zinc/00/19/56/846001956.db2.gz XYRXPQTVXNYHBR-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110961014 846002665 /nfs/dbraw/zinc/00/26/65/846002665.db2.gz OQEDQWGDBFZMFT-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819795 861631070 /nfs/dbraw/zinc/63/10/70/861631070.db2.gz WKTPOKIRTXVVFI-KSSFIOAISA-N 2 1 355.479 0.175 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCOC1 ZINC001111151683 846049127 /nfs/dbraw/zinc/04/91/27/846049127.db2.gz HCSDNRIMILMGST-TVFCKZIOSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCOC1 ZINC001111151683 846049136 /nfs/dbraw/zinc/04/91/36/846049136.db2.gz HCSDNRIMILMGST-TVFCKZIOSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCCO1 ZINC001111152487 846049796 /nfs/dbraw/zinc/04/97/96/846049796.db2.gz XTFQPFMSYWQWJI-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCCO1 ZINC001111152487 846049805 /nfs/dbraw/zinc/04/98/05/846049805.db2.gz XTFQPFMSYWQWJI-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197464 846059775 /nfs/dbraw/zinc/05/97/75/846059775.db2.gz YTBGZFULOIFNSS-OJLVUWQFSA-N 2 1 352.479 0.083 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197464 846059782 /nfs/dbraw/zinc/05/97/82/846059782.db2.gz YTBGZFULOIFNSS-OJLVUWQFSA-N 2 1 352.479 0.083 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111298610 846080419 /nfs/dbraw/zinc/08/04/19/846080419.db2.gz HLOARFKYBFLDPW-APIJFGDWSA-N 2 1 350.463 0.245 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111298610 846080429 /nfs/dbraw/zinc/08/04/29/846080429.db2.gz HLOARFKYBFLDPW-APIJFGDWSA-N 2 1 350.463 0.245 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111494208 846126378 /nfs/dbraw/zinc/12/63/78/846126378.db2.gz DPMAUFPIKLCUOE-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854557 846231483 /nfs/dbraw/zinc/23/14/83/846231483.db2.gz RPZORERMHVIMPN-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111858180 846233786 /nfs/dbraw/zinc/23/37/86/846233786.db2.gz SARYHOAYQAVRBK-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862181 846235469 /nfs/dbraw/zinc/23/54/69/846235469.db2.gz ACDUOYYRQOYKAL-YJBOKZPZSA-N 2 1 353.511 0.616 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983861 846280221 /nfs/dbraw/zinc/28/02/21/846280221.db2.gz SSRFZERVQLYKDN-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983861 846280233 /nfs/dbraw/zinc/28/02/33/846280233.db2.gz SSRFZERVQLYKDN-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983861 846280242 /nfs/dbraw/zinc/28/02/42/846280242.db2.gz SSRFZERVQLYKDN-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983861 846280251 /nfs/dbraw/zinc/28/02/51/846280251.db2.gz SSRFZERVQLYKDN-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111984825 846282345 /nfs/dbraw/zinc/28/23/45/846282345.db2.gz QBYKTRRAVRXBCO-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111984825 846282355 /nfs/dbraw/zinc/28/23/55/846282355.db2.gz QBYKTRRAVRXBCO-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP CCC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276873126 861661052 /nfs/dbraw/zinc/66/10/52/861661052.db2.gz DZDKVSOFUMOACY-QZTJIDSGSA-N 2 1 350.507 0.668 20 0 FCADMP CCC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276873126 861661062 /nfs/dbraw/zinc/66/10/62/861661062.db2.gz DZDKVSOFUMOACY-QZTJIDSGSA-N 2 1 350.507 0.668 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001112103562 846384171 /nfs/dbraw/zinc/38/41/71/846384171.db2.gz MTTJZUKYLRPJKJ-UMSGYPCISA-N 2 1 364.412 0.442 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001112103562 846384177 /nfs/dbraw/zinc/38/41/77/846384177.db2.gz MTTJZUKYLRPJKJ-UMSGYPCISA-N 2 1 364.412 0.442 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112123409 846401538 /nfs/dbraw/zinc/40/15/38/846401538.db2.gz IPGRDKBTJFJSQO-CHWSQXEVSA-N 2 1 369.428 0.705 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112122657 846401586 /nfs/dbraw/zinc/40/15/86/846401586.db2.gz ZKUHEGCIMQWRAS-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112152093 846420064 /nfs/dbraw/zinc/42/00/64/846420064.db2.gz IXKURLNBAUIEHO-MCIONIFRSA-N 2 1 367.412 0.721 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112152093 846420071 /nfs/dbraw/zinc/42/00/71/846420071.db2.gz IXKURLNBAUIEHO-MCIONIFRSA-N 2 1 367.412 0.721 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154255 846421089 /nfs/dbraw/zinc/42/10/89/846421089.db2.gz CFPHKBCPJZNFDO-VXGBXAGGSA-N 2 1 364.412 0.443 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112154512 846422452 /nfs/dbraw/zinc/42/24/52/846422452.db2.gz OTWLRWBHIVJXDC-HBNTYKKESA-N 2 1 350.385 0.181 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157762 846424180 /nfs/dbraw/zinc/42/41/80/846424180.db2.gz BGNKFYSYNMVSQH-RAIGVLPGSA-N 2 1 364.412 0.442 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112160046 846425655 /nfs/dbraw/zinc/42/56/55/846425655.db2.gz PJBWDXCYNHPDLZ-VXGBXAGGSA-N 2 1 350.385 0.196 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159855 846425821 /nfs/dbraw/zinc/42/58/21/846425821.db2.gz DFLXLIIXPQNYBO-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159803 846425915 /nfs/dbraw/zinc/42/59/15/846425915.db2.gz APXOITUYZDCWCW-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001112167414 846431072 /nfs/dbraw/zinc/43/10/72/846431072.db2.gz OPEZMOQEAOQBFA-UTUOFQBUSA-N 2 1 352.401 0.394 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112190060 846448583 /nfs/dbraw/zinc/44/85/83/846448583.db2.gz JLQJMHYGLPIEMM-CHWSQXEVSA-N 2 1 362.400 0.599 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112212134 846468804 /nfs/dbraw/zinc/46/88/04/846468804.db2.gz PHIOAEVCFLANOQ-IJLUTSLNSA-N 2 1 350.385 0.194 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112212134 846468811 /nfs/dbraw/zinc/46/88/11/846468811.db2.gz PHIOAEVCFLANOQ-IJLUTSLNSA-N 2 1 350.385 0.194 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285186 846487637 /nfs/dbraw/zinc/48/76/37/846487637.db2.gz OWKKVTCSSKSUQZ-FCEWJHQRSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359735 846497278 /nfs/dbraw/zinc/49/72/78/846497278.db2.gz IFQRATRWPRGRSS-OLMMMNRUSA-N 2 1 350.507 0.681 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401682 846501008 /nfs/dbraw/zinc/50/10/08/846501008.db2.gz SDZWGNWRBUPISE-IEZWGBDMSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112567492 846526608 /nfs/dbraw/zinc/52/66/08/846526608.db2.gz RSJJIZVZCLJELD-LNLFQRSKSA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112586420 846531728 /nfs/dbraw/zinc/53/17/28/846531728.db2.gz YGMWXSKMOUMAIB-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112586257 846532297 /nfs/dbraw/zinc/53/22/97/846532297.db2.gz PYEPELCQOOFZIA-KXBFYZLASA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112586137 846532359 /nfs/dbraw/zinc/53/23/59/846532359.db2.gz JHAKTFCXSHLXHF-BXWFABGCSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114303867 846550125 /nfs/dbraw/zinc/55/01/25/846550125.db2.gz GEAIEQGJCTZNFW-ZNFSNMQZSA-N 2 1 350.507 0.679 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114303867 846550131 /nfs/dbraw/zinc/55/01/31/846550131.db2.gz GEAIEQGJCTZNFW-ZNFSNMQZSA-N 2 1 350.507 0.679 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001114303867 846550137 /nfs/dbraw/zinc/55/01/37/846550137.db2.gz GEAIEQGJCTZNFW-ZNFSNMQZSA-N 2 1 350.507 0.679 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001114303867 846550144 /nfs/dbraw/zinc/55/01/44/846550144.db2.gz GEAIEQGJCTZNFW-ZNFSNMQZSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCCCC2)CC[N@H+]1C ZINC001115543394 846561729 /nfs/dbraw/zinc/56/17/29/846561729.db2.gz FYDCNTSSBISAAP-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)C)CCCCC2)O1 ZINC001115593545 846562730 /nfs/dbraw/zinc/56/27/30/846562730.db2.gz NICJXLCUUDSMCS-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)C)CCCCC2)O1 ZINC001115593545 846562736 /nfs/dbraw/zinc/56/27/36/846562736.db2.gz NICJXLCUUDSMCS-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001277060069 861747099 /nfs/dbraw/zinc/74/70/99/861747099.db2.gz GYZOALDPMXIJOQ-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3nccs3)CC2)CC[N@@H+]1C ZINC001277060580 861748016 /nfs/dbraw/zinc/74/80/16/861748016.db2.gz QAVIKEYAGGZVPG-VXGBXAGGSA-N 2 1 351.476 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3nccs3)CC2)CC[N@H+]1C ZINC001277060580 861748026 /nfs/dbraw/zinc/74/80/26/861748026.db2.gz QAVIKEYAGGZVPG-VXGBXAGGSA-N 2 1 351.476 0.660 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001118089361 847274613 /nfs/dbraw/zinc/27/46/13/847274613.db2.gz VDVVDFXXOIUFLA-MRXNPFEDSA-N 2 1 357.495 0.075 20 0 FCADMP COCc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001277137383 861777971 /nfs/dbraw/zinc/77/79/71/861777971.db2.gz VOEKLZQMWNWXRY-SFHVURJKSA-N 2 1 351.447 0.791 20 0 FCADMP COCc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001277137383 861777981 /nfs/dbraw/zinc/77/79/81/861777981.db2.gz VOEKLZQMWNWXRY-SFHVURJKSA-N 2 1 351.447 0.791 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118263519 847353439 /nfs/dbraw/zinc/35/34/39/847353439.db2.gz IKHOLCZXSSVRSN-UHFFFAOYSA-N 2 1 352.479 0.753 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001119467804 847852736 /nfs/dbraw/zinc/85/27/36/847852736.db2.gz CRIJBHMRXOROTF-QAPCUYQASA-N 2 1 351.495 0.561 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2)CC1 ZINC001119499996 847864644 /nfs/dbraw/zinc/86/46/44/847864644.db2.gz LZTZRLAKGDGSGB-UHFFFAOYSA-N 2 1 365.499 0.741 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001120570448 848247108 /nfs/dbraw/zinc/24/71/08/848247108.db2.gz SOLJBGWKESSISM-GOSISDBHSA-N 2 1 351.495 0.515 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@H](C)C1 ZINC001120604769 848252261 /nfs/dbraw/zinc/25/22/61/848252261.db2.gz PMFLBYAIMYTTSH-SJLPKXTDSA-N 2 1 355.523 0.944 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@H](C)C1 ZINC001120604769 848252268 /nfs/dbraw/zinc/25/22/68/848252268.db2.gz PMFLBYAIMYTTSH-SJLPKXTDSA-N 2 1 355.523 0.944 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001120627075 848257247 /nfs/dbraw/zinc/25/72/47/848257247.db2.gz WKVWHXBPFYVUKM-JYJNAYRXSA-N 2 1 352.479 0.389 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2C)CC1=O ZINC001120810733 848287046 /nfs/dbraw/zinc/28/70/46/848287046.db2.gz VHTZKZCQISNBDR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC001120810733 848287058 /nfs/dbraw/zinc/28/70/58/848287058.db2.gz VHTZKZCQISNBDR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2C)CC1=O ZINC001120810733 848287071 /nfs/dbraw/zinc/28/70/71/848287071.db2.gz VHTZKZCQISNBDR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@@H]1C ZINC001121362754 848343497 /nfs/dbraw/zinc/34/34/97/848343497.db2.gz QGWDSPBWAOAJMI-GJZGRUSLSA-N 2 1 350.511 0.906 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C[C@]2(O)CCC[NH2+]C2)c2cccs2)CC1 ZINC001121927627 848420130 /nfs/dbraw/zinc/42/01/30/848420130.db2.gz ZTOOIEPRMMUCJG-CRAIPNDOSA-N 2 1 366.531 0.657 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC001277499935 861909047 /nfs/dbraw/zinc/90/90/47/861909047.db2.gz NVJOFBXTZLWGMT-SFHVURJKSA-N 2 1 350.463 0.904 20 0 FCADMP Cc1nc(C)c(C)c(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001122834598 848544714 /nfs/dbraw/zinc/54/47/14/848544714.db2.gz BPKTUIOEKMXYEW-WKPIXPDZSA-N 2 1 351.451 0.010 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001123663823 848621826 /nfs/dbraw/zinc/62/18/26/848621826.db2.gz HYSKOMXJDCHTDG-VDHUWJSZSA-N 2 1 350.507 0.259 20 0 FCADMP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)no1 ZINC001127571400 848726891 /nfs/dbraw/zinc/72/68/91/848726891.db2.gz RCCCSUUWNNTPCX-SJORKVTESA-N 2 1 350.463 0.936 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccs1 ZINC001127643603 848729870 /nfs/dbraw/zinc/72/98/70/848729870.db2.gz CLKJGRUABOPOOZ-MGPQQGTHSA-N 2 1 352.504 0.971 20 0 FCADMP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001127643927 848730165 /nfs/dbraw/zinc/73/01/65/848730165.db2.gz RLIWJHVHFUJWRZ-UKRRQHHQSA-N 2 1 352.504 0.719 20 0 FCADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643911 848730192 /nfs/dbraw/zinc/73/01/92/848730192.db2.gz RBSDBKKXBIFOAG-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851428 848779000 /nfs/dbraw/zinc/77/90/00/848779000.db2.gz MMJDYKNXHPIKGP-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052802 848801148 /nfs/dbraw/zinc/80/11/48/848801148.db2.gz NEFDSENTBUVXRX-BMFZPTHFSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H](F)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052802 848801149 /nfs/dbraw/zinc/80/11/49/848801149.db2.gz NEFDSENTBUVXRX-BMFZPTHFSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H](F)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052802 848801151 /nfs/dbraw/zinc/80/11/51/848801151.db2.gz NEFDSENTBUVXRX-BMFZPTHFSA-N 2 1 352.458 0.852 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369806 848835733 /nfs/dbraw/zinc/83/57/33/848835733.db2.gz HLDUSBGDLRYOSR-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369806 848835744 /nfs/dbraw/zinc/83/57/44/848835744.db2.gz HLDUSBGDLRYOSR-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@H](C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1)OC ZINC001129369806 848835749 /nfs/dbraw/zinc/83/57/49/848835749.db2.gz HLDUSBGDLRYOSR-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129433542 848844204 /nfs/dbraw/zinc/84/42/04/848844204.db2.gz FZTONNAGVRQVSD-CVEARBPZSA-N 2 1 352.458 0.855 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129433542 848844211 /nfs/dbraw/zinc/84/42/11/848844211.db2.gz FZTONNAGVRQVSD-CVEARBPZSA-N 2 1 352.458 0.855 20 0 FCADMP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894701 848909997 /nfs/dbraw/zinc/90/99/97/848909997.db2.gz QGENJAGYJKYAQA-IMJJTQAJSA-N 2 1 352.458 0.852 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129896141 848911363 /nfs/dbraw/zinc/91/13/63/848911363.db2.gz SBLSBFWFZOVLFT-IDQBRBTGSA-N 2 1 352.870 0.856 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130043955 848935697 /nfs/dbraw/zinc/93/56/97/848935697.db2.gz IOAZJCITUOTVAY-CVEARBPZSA-N 2 1 352.483 0.124 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001130096879 848944305 /nfs/dbraw/zinc/94/43/05/848944305.db2.gz WWLHSTSOQFGJJI-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132711 848949115 /nfs/dbraw/zinc/94/91/15/848949115.db2.gz LQHSDQMDJVMDFO-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132711 848949119 /nfs/dbraw/zinc/94/91/19/848949119.db2.gz LQHSDQMDJVMDFO-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132710 848949515 /nfs/dbraw/zinc/94/95/15/848949515.db2.gz LQHSDQMDJVMDFO-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132710 848949522 /nfs/dbraw/zinc/94/95/22/848949522.db2.gz LQHSDQMDJVMDFO-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001130238046 848985196 /nfs/dbraw/zinc/98/51/96/848985196.db2.gz QMEVFAVPKBJPFP-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001130238046 848985201 /nfs/dbraw/zinc/98/52/01/848985201.db2.gz QMEVFAVPKBJPFP-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001130238046 848985205 /nfs/dbraw/zinc/98/52/05/848985205.db2.gz QMEVFAVPKBJPFP-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cncn1C ZINC001131100896 849079798 /nfs/dbraw/zinc/07/97/98/849079798.db2.gz BGEWUCOXPNVZML-HZPDHXFCSA-N 2 1 351.495 0.682 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131132407 849083039 /nfs/dbraw/zinc/08/30/39/849083039.db2.gz JOFDQFZVGXEGGL-BZUAXINKSA-N 2 1 351.495 0.679 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131522702 849118220 /nfs/dbraw/zinc/11/82/20/849118220.db2.gz UZDQYYRGFSMGFB-ZBFHGGJFSA-N 2 1 354.495 0.188 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001131562177 849123061 /nfs/dbraw/zinc/12/30/61/849123061.db2.gz NSJIZZDCKBSOGI-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131605060 849129168 /nfs/dbraw/zinc/12/91/68/849129168.db2.gz VOBKWZSREHOVGC-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551184 849271069 /nfs/dbraw/zinc/27/10/69/849271069.db2.gz BCDWYGINLIZJTK-BSDSXHPESA-N 2 1 352.523 0.316 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC001138466156 849312391 /nfs/dbraw/zinc/31/23/91/849312391.db2.gz BCBMLLZVWXVPPH-UKRRQHHQSA-N 2 1 352.435 0.365 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC001138466156 849312402 /nfs/dbraw/zinc/31/24/02/849312402.db2.gz BCBMLLZVWXVPPH-UKRRQHHQSA-N 2 1 352.435 0.365 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC001138466156 849312412 /nfs/dbraw/zinc/31/24/12/849312412.db2.gz BCBMLLZVWXVPPH-UKRRQHHQSA-N 2 1 352.435 0.365 20 0 FCADMP C[NH+](C)CCCN1CCN(Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139323103 849335793 /nfs/dbraw/zinc/33/57/93/849335793.db2.gz FBAHINOVWBZLJB-UHFFFAOYSA-N 2 1 366.579 0.964 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCOCC(F)F)C3)O1 ZINC001147774492 849591770 /nfs/dbraw/zinc/59/17/70/849591770.db2.gz WRQUZXIWRRQKEU-ZIAGYGMSSA-N 2 1 361.433 0.522 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCC(F)F)C3)O1 ZINC001147774492 849591779 /nfs/dbraw/zinc/59/17/79/849591779.db2.gz WRQUZXIWRRQKEU-ZIAGYGMSSA-N 2 1 361.433 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCC(F)F)C3)O1 ZINC001147774492 849591791 /nfs/dbraw/zinc/59/17/91/849591791.db2.gz WRQUZXIWRRQKEU-ZIAGYGMSSA-N 2 1 361.433 0.522 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCOCC(F)F)C3)O1 ZINC001147774492 849591801 /nfs/dbraw/zinc/59/18/01/849591801.db2.gz WRQUZXIWRRQKEU-ZIAGYGMSSA-N 2 1 361.433 0.522 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC(F)F)CCCO2)CC[N@H+]1C ZINC001149733449 849645983 /nfs/dbraw/zinc/64/59/83/849645983.db2.gz DVRKVOCYKPOWJX-RBSFLKMASA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCC(F)F)CCCO2)CC[NH+]1C ZINC001149733449 849645986 /nfs/dbraw/zinc/64/59/86/849645986.db2.gz DVRKVOCYKPOWJX-RBSFLKMASA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC(F)F)CCCO2)CC[NH+]1C ZINC001149733449 849645992 /nfs/dbraw/zinc/64/59/92/849645992.db2.gz DVRKVOCYKPOWJX-RBSFLKMASA-N 2 1 363.449 0.815 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3N)C2)OCC1=O ZINC001277765012 862059445 /nfs/dbraw/zinc/05/94/45/862059445.db2.gz SKZMHNKCVLJBGE-SFHVURJKSA-N 2 1 350.438 0.773 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241204 850027036 /nfs/dbraw/zinc/02/70/36/850027036.db2.gz SRBQUPSVVKDYPE-QWRGUYRKSA-N 2 1 351.369 0.942 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]Cc2cnsn2)CC1 ZINC001158281786 850034179 /nfs/dbraw/zinc/03/41/79/850034179.db2.gz BPEYYXXRPAGFAC-CVEARBPZSA-N 2 1 367.519 0.881 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001158428895 850049199 /nfs/dbraw/zinc/04/91/99/850049199.db2.gz YIIWBGXGFKXWRP-VXGBXAGGSA-N 2 1 352.401 0.491 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159723359 850131399 /nfs/dbraw/zinc/13/13/99/850131399.db2.gz OJYXYNNRFCJNHN-LBPRGKRZSA-N 2 1 351.476 0.274 20 0 FCADMP N[C@@H](C[NH3+])C(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159887997 850143024 /nfs/dbraw/zinc/14/30/24/850143024.db2.gz ZHWHSZOZKKXTSJ-HOCLYGCPSA-N 2 1 353.417 0.427 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cnc([C@H](C)[NH3+])s3)C[C@H]1C2 ZINC001160800765 850199457 /nfs/dbraw/zinc/19/94/57/850199457.db2.gz UTYCGICEAFXLJN-MHYAFYLESA-N 2 1 364.471 0.634 20 0 FCADMP N[C@H](C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)C(F)(F)F ZINC001161198121 850239284 /nfs/dbraw/zinc/23/92/84/850239284.db2.gz LQZRRKSVLJRGNO-CQSZACIVSA-N 2 1 366.428 0.427 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001164582780 850417493 /nfs/dbraw/zinc/41/74/93/850417493.db2.gz PFQNFOGIMWCNRV-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1[nH+]cc2n1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001165384559 850439153 /nfs/dbraw/zinc/43/91/53/850439153.db2.gz JUWYXGCXRJNMNV-UHFFFAOYSA-N 2 1 362.459 0.093 20 0 FCADMP CN(C1CCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1)S(C)(=O)=O ZINC001166922233 850512148 /nfs/dbraw/zinc/51/21/48/850512148.db2.gz DDYDCOGCTNAUJU-UHFFFAOYSA-N 2 1 368.507 0.264 20 0 FCADMP COC(=O)N1CCC([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001172735313 850713158 /nfs/dbraw/zinc/71/31/58/850713158.db2.gz BWPRPXIIJHRTOM-UHFFFAOYSA-N 2 1 352.479 0.703 20 0 FCADMP COCCOCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810556 850932546 /nfs/dbraw/zinc/93/25/46/850932546.db2.gz GMXFFHKGXPZKDG-IAGOWNOFSA-N 2 1 359.511 0.635 20 0 FCADMP COCCOCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810556 850932550 /nfs/dbraw/zinc/93/25/50/850932550.db2.gz GMXFFHKGXPZKDG-IAGOWNOFSA-N 2 1 359.511 0.635 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC2CC2)O1 ZINC001178810580 850932747 /nfs/dbraw/zinc/93/27/47/850932747.db2.gz HJYPYBQZDNMZIH-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC2CC2)O1 ZINC001178810580 850932752 /nfs/dbraw/zinc/93/27/52/850932752.db2.gz HJYPYBQZDNMZIH-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC=CO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278141255 862210635 /nfs/dbraw/zinc/21/06/35/862210635.db2.gz UVULKNXYEJUMFP-IEBWSBKVSA-N 2 1 350.507 0.897 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254249 851346489 /nfs/dbraw/zinc/34/64/89/851346489.db2.gz ZQUOJUUWLJDREZ-OAGGEKHMSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001185254249 851346495 /nfs/dbraw/zinc/34/64/95/851346495.db2.gz ZQUOJUUWLJDREZ-OAGGEKHMSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001185254249 851346504 /nfs/dbraw/zinc/34/65/04/851346504.db2.gz ZQUOJUUWLJDREZ-OAGGEKHMSA-N 2 1 363.531 0.812 20 0 FCADMP CC(=O)N1CCC[C@@H](C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001278185212 862244077 /nfs/dbraw/zinc/24/40/77/862244077.db2.gz ZIECURNMNONCLO-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001188107505 851646473 /nfs/dbraw/zinc/64/64/73/851646473.db2.gz RYSNUKQYMDJAGB-ARFHVFGLSA-N 2 1 354.470 0.431 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001188107505 851646478 /nfs/dbraw/zinc/64/64/78/851646478.db2.gz RYSNUKQYMDJAGB-ARFHVFGLSA-N 2 1 354.470 0.431 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963222 851737857 /nfs/dbraw/zinc/73/78/57/851737857.db2.gz MARKRJQHZMVFJC-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963222 851737861 /nfs/dbraw/zinc/73/78/61/851737861.db2.gz MARKRJQHZMVFJC-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001188985229 851740971 /nfs/dbraw/zinc/74/09/71/851740971.db2.gz AXXZARZLHVBVNY-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001189035023 851743829 /nfs/dbraw/zinc/74/38/29/851743829.db2.gz SIOCOVXPZPWCTH-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001189035023 851743832 /nfs/dbraw/zinc/74/38/32/851743832.db2.gz SIOCOVXPZPWCTH-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034290 851744011 /nfs/dbraw/zinc/74/40/11/851744011.db2.gz HCKHNGLNYVEYIU-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034290 851744019 /nfs/dbraw/zinc/74/40/19/851744019.db2.gz HCKHNGLNYVEYIU-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001189152126 851760240 /nfs/dbraw/zinc/76/02/40/851760240.db2.gz ZNZSTJJQHOPIHS-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001189152126 851760248 /nfs/dbraw/zinc/76/02/48/851760248.db2.gz ZNZSTJJQHOPIHS-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820124 851828395 /nfs/dbraw/zinc/82/83/95/851828395.db2.gz QMCRAPLFGIGEFO-HRCADAONSA-N 2 1 354.495 0.141 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871446 851832860 /nfs/dbraw/zinc/83/28/60/851832860.db2.gz OWVQJOMITOAHIA-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871058 851832943 /nfs/dbraw/zinc/83/29/43/851832943.db2.gz JXNFAQSMGVDHBF-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870658 851833241 /nfs/dbraw/zinc/83/32/41/851833241.db2.gz CRNJBGUGEOJPPL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912668 851839823 /nfs/dbraw/zinc/83/98/23/851839823.db2.gz DMKYAESYEYMZEA-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912668 851839826 /nfs/dbraw/zinc/83/98/26/851839826.db2.gz DMKYAESYEYMZEA-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912668 851839827 /nfs/dbraw/zinc/83/98/27/851839827.db2.gz DMKYAESYEYMZEA-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189912668 851839829 /nfs/dbraw/zinc/83/98/29/851839829.db2.gz DMKYAESYEYMZEA-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149066 851866874 /nfs/dbraw/zinc/86/68/74/851866874.db2.gz QEHMISMQUOKKED-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149066 851866881 /nfs/dbraw/zinc/86/68/81/851866881.db2.gz QEHMISMQUOKKED-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149066 851866892 /nfs/dbraw/zinc/86/68/92/851866892.db2.gz QEHMISMQUOKKED-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149066 851866901 /nfs/dbraw/zinc/86/69/01/851866901.db2.gz QEHMISMQUOKKED-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177488 851870576 /nfs/dbraw/zinc/87/05/76/851870576.db2.gz NGDWYYYPJWPGKN-JKSUJKDBSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212557 851875681 /nfs/dbraw/zinc/87/56/81/851875681.db2.gz FOPZPCGGRJTXJX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001190246677 851882327 /nfs/dbraw/zinc/88/23/27/851882327.db2.gz FVCNGKINZPOBSK-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001190246677 851882330 /nfs/dbraw/zinc/88/23/30/851882330.db2.gz FVCNGKINZPOBSK-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001190246677 851882333 /nfs/dbraw/zinc/88/23/33/851882333.db2.gz FVCNGKINZPOBSK-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001190246677 851882337 /nfs/dbraw/zinc/88/23/37/851882337.db2.gz FVCNGKINZPOBSK-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363404 851896563 /nfs/dbraw/zinc/89/65/63/851896563.db2.gz KAUOLIOARMEFAF-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363404 851896573 /nfs/dbraw/zinc/89/65/73/851896573.db2.gz KAUOLIOARMEFAF-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363404 851896582 /nfs/dbraw/zinc/89/65/82/851896582.db2.gz KAUOLIOARMEFAF-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363404 851896590 /nfs/dbraw/zinc/89/65/90/851896590.db2.gz KAUOLIOARMEFAF-YESZJQIVSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001190363671 851897225 /nfs/dbraw/zinc/89/72/25/851897225.db2.gz WDKJRQXCKYNIMR-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001190363671 851897232 /nfs/dbraw/zinc/89/72/32/851897232.db2.gz WDKJRQXCKYNIMR-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001190363671 851897236 /nfs/dbraw/zinc/89/72/36/851897236.db2.gz WDKJRQXCKYNIMR-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001190363671 851897237 /nfs/dbraw/zinc/89/72/37/851897237.db2.gz WDKJRQXCKYNIMR-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001190371154 851898664 /nfs/dbraw/zinc/89/86/64/851898664.db2.gz OWCGRZHOSMGKLO-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001190371154 851898673 /nfs/dbraw/zinc/89/86/73/851898673.db2.gz OWCGRZHOSMGKLO-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001190371154 851898681 /nfs/dbraw/zinc/89/86/81/851898681.db2.gz OWCGRZHOSMGKLO-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001190371154 851898689 /nfs/dbraw/zinc/89/86/89/851898689.db2.gz OWCGRZHOSMGKLO-DOTOQJQBSA-N 2 1 350.507 0.870 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCC4)CC3)[C@H]2C1 ZINC001278471348 862343028 /nfs/dbraw/zinc/34/30/28/862343028.db2.gz NSWBUSZBHLWJOO-IRXDYDNUSA-N 2 1 351.491 0.919 20 0 FCADMP CC(C)OCCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001193109812 852356863 /nfs/dbraw/zinc/35/68/63/852356863.db2.gz CDGXFTUVRQUABE-HZPDHXFCSA-N 2 1 350.463 0.348 20 0 FCADMP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738391 852478975 /nfs/dbraw/zinc/47/89/75/852478975.db2.gz SNHDXMGKFSMAPO-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738391 852478982 /nfs/dbraw/zinc/47/89/82/852478982.db2.gz SNHDXMGKFSMAPO-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738391 852478987 /nfs/dbraw/zinc/47/89/87/852478987.db2.gz SNHDXMGKFSMAPO-KZNAEPCWSA-N 2 1 353.507 0.981 20 0 FCADMP CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001193754875 852482010 /nfs/dbraw/zinc/48/20/10/852482010.db2.gz COOYILMRLBADNT-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1O ZINC001193754875 852482014 /nfs/dbraw/zinc/48/20/14/852482014.db2.gz COOYILMRLBADNT-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001193754875 852482020 /nfs/dbraw/zinc/48/20/20/852482020.db2.gz COOYILMRLBADNT-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320999 852578373 /nfs/dbraw/zinc/57/83/73/852578373.db2.gz CHNJQEZHOZVOAF-USXIJHARSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194320999 852578377 /nfs/dbraw/zinc/57/83/77/852578377.db2.gz CHNJQEZHOZVOAF-USXIJHARSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194320999 852578383 /nfs/dbraw/zinc/57/83/83/852578383.db2.gz CHNJQEZHOZVOAF-USXIJHARSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997488 852690167 /nfs/dbraw/zinc/69/01/67/852690167.db2.gz RPUJUTBVNFDUOO-CGTJXYLNSA-N 2 1 355.523 0.963 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997488 852690172 /nfs/dbraw/zinc/69/01/72/852690172.db2.gz RPUJUTBVNFDUOO-CGTJXYLNSA-N 2 1 355.523 0.963 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997488 852690175 /nfs/dbraw/zinc/69/01/75/852690175.db2.gz RPUJUTBVNFDUOO-CGTJXYLNSA-N 2 1 355.523 0.963 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)CCCC1 ZINC001195005962 852690639 /nfs/dbraw/zinc/69/06/39/852690639.db2.gz BSFABRXFLOVNCE-GVDBMIGSSA-N 2 1 353.507 0.981 20 0 FCADMP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001195290180 852736735 /nfs/dbraw/zinc/73/67/35/852736735.db2.gz UOKFYTRADIAHSW-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195859982 852836707 /nfs/dbraw/zinc/83/67/07/852836707.db2.gz QKSUTZFJIUYPAA-IAGOWNOFSA-N 2 1 351.447 0.187 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195859982 852836712 /nfs/dbraw/zinc/83/67/12/852836712.db2.gz QKSUTZFJIUYPAA-IAGOWNOFSA-N 2 1 351.447 0.187 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893883 852843617 /nfs/dbraw/zinc/84/36/17/852843617.db2.gz LVHNJHKIMLYDRT-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893883 852843621 /nfs/dbraw/zinc/84/36/21/852843621.db2.gz LVHNJHKIMLYDRT-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893883 852843625 /nfs/dbraw/zinc/84/36/25/852843625.db2.gz LVHNJHKIMLYDRT-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893883 852843629 /nfs/dbraw/zinc/84/36/29/852843629.db2.gz LVHNJHKIMLYDRT-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319702 853098172 /nfs/dbraw/zinc/09/81/72/853098172.db2.gz PTVKEXVEIKTSQV-CGTJXYLNSA-N 2 1 355.523 0.941 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775844 853160939 /nfs/dbraw/zinc/16/09/39/853160939.db2.gz OJRSIYAHVJVUIT-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775844 853160944 /nfs/dbraw/zinc/16/09/44/853160944.db2.gz OJRSIYAHVJVUIT-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775844 853160947 /nfs/dbraw/zinc/16/09/47/853160947.db2.gz OJRSIYAHVJVUIT-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001198038518 853209562 /nfs/dbraw/zinc/20/95/62/853209562.db2.gz UPVNLPVFTSHKNW-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001198038518 853209589 /nfs/dbraw/zinc/20/95/89/853209589.db2.gz UPVNLPVFTSHKNW-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001198038518 853209597 /nfs/dbraw/zinc/20/95/97/853209597.db2.gz UPVNLPVFTSHKNW-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001198038518 853209607 /nfs/dbraw/zinc/20/96/07/853209607.db2.gz UPVNLPVFTSHKNW-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199018228 853355674 /nfs/dbraw/zinc/35/56/74/853355674.db2.gz RVSMIXLTPVHKSC-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCCN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC001199946843 853466899 /nfs/dbraw/zinc/46/68/99/853466899.db2.gz WHYAXTXJAYUQQQ-UHFFFAOYSA-N 2 1 357.568 0.153 20 0 FCADMP CCOCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787170 853511338 /nfs/dbraw/zinc/51/13/38/853511338.db2.gz NQUPCXQPUWJKJU-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787170 853511342 /nfs/dbraw/zinc/51/13/42/853511342.db2.gz NQUPCXQPUWJKJU-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP COC(=O)CCC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001202219260 853563240 /nfs/dbraw/zinc/56/32/40/853563240.db2.gz XYUYMSBTXPDVNW-UHFFFAOYSA-N 2 1 355.479 0.442 20 0 FCADMP COC(=O)CCC[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001202219260 853563245 /nfs/dbraw/zinc/56/32/45/853563245.db2.gz XYUYMSBTXPDVNW-UHFFFAOYSA-N 2 1 355.479 0.442 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001205334749 853603797 /nfs/dbraw/zinc/60/37/97/853603797.db2.gz QRJRLOLHTPMGEE-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205516558 853618994 /nfs/dbraw/zinc/61/89/94/853618994.db2.gz KHURNBCCQBAMGG-DLBZAZTESA-N 2 1 353.507 0.650 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205516827 853619436 /nfs/dbraw/zinc/61/94/36/853619436.db2.gz XJIPGUSVKILCBD-IXDOHACOSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCOCC3CC3)CC2)O1 ZINC001205518890 853620464 /nfs/dbraw/zinc/62/04/64/853620464.db2.gz OEZLHSSJWRIXMI-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCOCC3CC3)CC2)O1 ZINC001205518890 853620471 /nfs/dbraw/zinc/62/04/71/853620471.db2.gz OEZLHSSJWRIXMI-CRAIPNDOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979365 853775890 /nfs/dbraw/zinc/77/58/90/853775890.db2.gz SLCMOPLRAIXOOJ-VNQPRFMTSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979365 853775891 /nfs/dbraw/zinc/77/58/91/853775891.db2.gz SLCMOPLRAIXOOJ-VNQPRFMTSA-N 2 1 350.507 0.679 20 0 FCADMP CN(C)c1ncc2c(n1)[C@H]1C[N@@H+](CC3CC[NH2+]CC3)C[C@H]1S(=O)(=O)C2 ZINC001207435939 853813039 /nfs/dbraw/zinc/81/30/39/853813039.db2.gz OVRRSLGAKNHFBB-LSDHHAIUSA-N 2 1 365.503 0.238 20 0 FCADMP CN(C)c1ncc2c(n1)[C@H]1C[N@H+](CC3CC[NH2+]CC3)C[C@H]1S(=O)(=O)C2 ZINC001207435939 853813043 /nfs/dbraw/zinc/81/30/43/853813043.db2.gz OVRRSLGAKNHFBB-LSDHHAIUSA-N 2 1 365.503 0.238 20 0 FCADMP CC(C)C(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001207436443 853813471 /nfs/dbraw/zinc/81/34/71/853813471.db2.gz CISHCCRYLZAYGV-IBGZPJMESA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207537772 853821149 /nfs/dbraw/zinc/82/11/49/853821149.db2.gz HKTGTPZYKIQIHA-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207537772 853821151 /nfs/dbraw/zinc/82/11/51/853821151.db2.gz HKTGTPZYKIQIHA-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545141 853821902 /nfs/dbraw/zinc/82/19/02/853821902.db2.gz HIVYEGZKPPTQMP-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545141 853821906 /nfs/dbraw/zinc/82/19/06/853821906.db2.gz HIVYEGZKPPTQMP-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545333 853821920 /nfs/dbraw/zinc/82/19/20/853821920.db2.gz PSKPTKMPCNZKTI-HUUCEWRRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545333 853821924 /nfs/dbraw/zinc/82/19/24/853821924.db2.gz PSKPTKMPCNZKTI-HUUCEWRRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568188 853827805 /nfs/dbraw/zinc/82/78/05/853827805.db2.gz TZZVJIUCZAHNKB-RHSMWYFYSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568188 853827809 /nfs/dbraw/zinc/82/78/09/853827809.db2.gz TZZVJIUCZAHNKB-RHSMWYFYSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568188 853827815 /nfs/dbraw/zinc/82/78/15/853827815.db2.gz TZZVJIUCZAHNKB-RHSMWYFYSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207602199 853828437 /nfs/dbraw/zinc/82/84/37/853828437.db2.gz OJYGXBRMPBLWHC-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207602199 853828440 /nfs/dbraw/zinc/82/84/40/853828440.db2.gz OJYGXBRMPBLWHC-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207602199 853828442 /nfs/dbraw/zinc/82/84/42/853828442.db2.gz OJYGXBRMPBLWHC-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617338 853830296 /nfs/dbraw/zinc/83/02/96/853830296.db2.gz RBCQYQBTVXTLJX-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617338 853830298 /nfs/dbraw/zinc/83/02/98/853830298.db2.gz RBCQYQBTVXTLJX-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617338 853830300 /nfs/dbraw/zinc/83/03/00/853830300.db2.gz RBCQYQBTVXTLJX-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643867 853832327 /nfs/dbraw/zinc/83/23/27/853832327.db2.gz PUFOKYUXWWRUNP-INMHGKMJSA-N 2 1 356.511 0.162 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643867 853832331 /nfs/dbraw/zinc/83/23/31/853832331.db2.gz PUFOKYUXWWRUNP-INMHGKMJSA-N 2 1 356.511 0.162 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706079 853843008 /nfs/dbraw/zinc/84/30/08/853843008.db2.gz NFKONHYDDVILIS-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001207698103 853843696 /nfs/dbraw/zinc/84/36/96/853843696.db2.gz RXFKWAQUWJWFRB-RBSFLKMASA-N 2 1 362.540 0.045 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708645 853845302 /nfs/dbraw/zinc/84/53/02/853845302.db2.gz FORJJWZMUDADGW-OIISXLGYSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708645 853845305 /nfs/dbraw/zinc/84/53/05/853845305.db2.gz FORJJWZMUDADGW-OIISXLGYSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207708645 853845308 /nfs/dbraw/zinc/84/53/08/853845308.db2.gz FORJJWZMUDADGW-OIISXLGYSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207708645 853845312 /nfs/dbraw/zinc/84/53/12/853845312.db2.gz FORJJWZMUDADGW-OIISXLGYSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001208074188 853892463 /nfs/dbraw/zinc/89/24/63/853892463.db2.gz UPFXYXIOGTWBHU-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001208434878 853933674 /nfs/dbraw/zinc/93/36/74/853933674.db2.gz GSFNRLYQYJAYQP-IJEWVQPXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001208434878 853933676 /nfs/dbraw/zinc/93/36/76/853933676.db2.gz GSFNRLYQYJAYQP-IJEWVQPXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001208434877 853933821 /nfs/dbraw/zinc/93/38/21/853933821.db2.gz GSFNRLYQYJAYQP-IIAWOOMASA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001208434877 853933825 /nfs/dbraw/zinc/93/38/25/853933825.db2.gz GSFNRLYQYJAYQP-IIAWOOMASA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444459 853934403 /nfs/dbraw/zinc/93/44/03/853934403.db2.gz BWRUOCSOAOCXQZ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444459 853934413 /nfs/dbraw/zinc/93/44/13/853934413.db2.gz BWRUOCSOAOCXQZ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435111 853934844 /nfs/dbraw/zinc/93/48/44/853934844.db2.gz SQWYHMGZKODNFO-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448111 853935539 /nfs/dbraw/zinc/93/55/39/853935539.db2.gz VRNQSAWZWJRNCE-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208597604 853958808 /nfs/dbraw/zinc/95/88/08/853958808.db2.gz PRHKTHCLVNUBKF-ARFHVFGLSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208597604 853958812 /nfs/dbraw/zinc/95/88/12/853958812.db2.gz PRHKTHCLVNUBKF-ARFHVFGLSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208597604 853958815 /nfs/dbraw/zinc/95/88/15/853958815.db2.gz PRHKTHCLVNUBKF-ARFHVFGLSA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208597604 853958819 /nfs/dbraw/zinc/95/88/19/853958819.db2.gz PRHKTHCLVNUBKF-ARFHVFGLSA-N 2 1 353.511 0.472 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1)C1CC1 ZINC001208597631 853959028 /nfs/dbraw/zinc/95/90/28/853959028.db2.gz QKQVXCJQNCRVLC-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1)C1CC1 ZINC001208597631 853959035 /nfs/dbraw/zinc/95/90/35/853959035.db2.gz QKQVXCJQNCRVLC-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C1CC1 ZINC001208597631 853959040 /nfs/dbraw/zinc/95/90/40/853959040.db2.gz QKQVXCJQNCRVLC-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)C1CC1 ZINC001208597631 853959047 /nfs/dbraw/zinc/95/90/47/853959047.db2.gz QKQVXCJQNCRVLC-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208619580 853960089 /nfs/dbraw/zinc/96/00/89/853960089.db2.gz GOQNCZPNUJQSAX-IIDMSEBBSA-N 2 1 359.486 0.644 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001208619580 853960092 /nfs/dbraw/zinc/96/00/92/853960092.db2.gz GOQNCZPNUJQSAX-IIDMSEBBSA-N 2 1 359.486 0.644 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001208619580 853960096 /nfs/dbraw/zinc/96/00/96/853960096.db2.gz GOQNCZPNUJQSAX-IIDMSEBBSA-N 2 1 359.486 0.644 20 0 FCADMP Cc1cc(N2CC[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC2)cc[nH+]1 ZINC001209282002 854013902 /nfs/dbraw/zinc/01/39/02/854013902.db2.gz ZZWSUGPLAZSOTA-IXDOHACOSA-N 2 1 351.447 0.385 20 0 FCADMP C[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210275323 854093925 /nfs/dbraw/zinc/09/39/25/854093925.db2.gz BTSCZEOKQWWAKL-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210275323 854093931 /nfs/dbraw/zinc/09/39/31/854093931.db2.gz BTSCZEOKQWWAKL-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210275323 854093938 /nfs/dbraw/zinc/09/39/38/854093938.db2.gz BTSCZEOKQWWAKL-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210275323 854093946 /nfs/dbraw/zinc/09/39/46/854093946.db2.gz BTSCZEOKQWWAKL-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210275323 854093950 /nfs/dbraw/zinc/09/39/50/854093950.db2.gz BTSCZEOKQWWAKL-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210297161 854097236 /nfs/dbraw/zinc/09/72/36/854097236.db2.gz CHYOSLAONYEQHB-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210297161 854097240 /nfs/dbraw/zinc/09/72/40/854097240.db2.gz CHYOSLAONYEQHB-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210297161 854097243 /nfs/dbraw/zinc/09/72/43/854097243.db2.gz CHYOSLAONYEQHB-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210297161 854097247 /nfs/dbraw/zinc/09/72/47/854097247.db2.gz CHYOSLAONYEQHB-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001210315597 854099520 /nfs/dbraw/zinc/09/95/20/854099520.db2.gz SEZDRASWWPMMCM-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001210315597 854099525 /nfs/dbraw/zinc/09/95/25/854099525.db2.gz SEZDRASWWPMMCM-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329620 854100417 /nfs/dbraw/zinc/10/04/17/854100417.db2.gz FBNOPXUEYAKYEX-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329620 854100418 /nfs/dbraw/zinc/10/04/18/854100418.db2.gz FBNOPXUEYAKYEX-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426995 854108872 /nfs/dbraw/zinc/10/88/72/854108872.db2.gz MOZQOVCVBRRIBH-NVXWUHKLSA-N 2 1 356.511 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443505 854200033 /nfs/dbraw/zinc/20/00/33/854200033.db2.gz CHVGFKWEPYTEPQ-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443505 854200039 /nfs/dbraw/zinc/20/00/39/854200039.db2.gz CHVGFKWEPYTEPQ-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353261 854448330 /nfs/dbraw/zinc/44/83/30/854448330.db2.gz NUMDVWGAMLOCPR-GVDBMIGSSA-N 2 1 359.486 0.908 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212353579 854448392 /nfs/dbraw/zinc/44/83/92/854448392.db2.gz VXMKXGLFJRXBET-ARFHVFGLSA-N 2 1 363.474 0.145 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001212353579 854448394 /nfs/dbraw/zinc/44/83/94/854448394.db2.gz VXMKXGLFJRXBET-ARFHVFGLSA-N 2 1 363.474 0.145 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001212368032 854454919 /nfs/dbraw/zinc/45/49/19/854454919.db2.gz DRDULYBYPOVYRR-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001212368032 854454920 /nfs/dbraw/zinc/45/49/20/854454920.db2.gz DRDULYBYPOVYRR-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212368032 854454921 /nfs/dbraw/zinc/45/49/21/854454921.db2.gz DRDULYBYPOVYRR-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001212368032 854454922 /nfs/dbraw/zinc/45/49/22/854454922.db2.gz DRDULYBYPOVYRR-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430559 854475070 /nfs/dbraw/zinc/47/50/70/854475070.db2.gz RLIWUEMWNKINDT-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430559 854475074 /nfs/dbraw/zinc/47/50/74/854475074.db2.gz RLIWUEMWNKINDT-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430559 854475079 /nfs/dbraw/zinc/47/50/79/854475079.db2.gz RLIWUEMWNKINDT-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC)[NH+](C)C ZINC001212463151 854490295 /nfs/dbraw/zinc/49/02/95/854490295.db2.gz STZDSYQAQQTBPL-BRWVUGGUSA-N 2 1 351.495 0.601 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1OC)[NH+](C)C ZINC001212463151 854490296 /nfs/dbraw/zinc/49/02/96/854490296.db2.gz STZDSYQAQQTBPL-BRWVUGGUSA-N 2 1 351.495 0.601 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495350 854501003 /nfs/dbraw/zinc/50/10/03/854501003.db2.gz CPKQRPKXECWOAD-DJIMGWMZSA-N 2 1 350.463 0.758 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213338214 854580846 /nfs/dbraw/zinc/58/08/46/854580846.db2.gz YAMLFZORQKEFAI-HZPDHXFCSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213338214 854580850 /nfs/dbraw/zinc/58/08/50/854580850.db2.gz YAMLFZORQKEFAI-HZPDHXFCSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346540 854583945 /nfs/dbraw/zinc/58/39/45/854583945.db2.gz RLAZWIPGQHCONB-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380240 854596043 /nfs/dbraw/zinc/59/60/43/854596043.db2.gz NYPQCEDVMXUOET-BFYDXBDKSA-N 2 1 354.495 0.010 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380240 854596048 /nfs/dbraw/zinc/59/60/48/854596048.db2.gz NYPQCEDVMXUOET-BFYDXBDKSA-N 2 1 354.495 0.010 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730223 854740905 /nfs/dbraw/zinc/74/09/05/854740905.db2.gz JCHTVLUNINIQDH-ARFHVFGLSA-N 2 1 357.495 0.195 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914362 854822072 /nfs/dbraw/zinc/82/20/72/854822072.db2.gz CAEMRDRJKZSPIO-HUUCEWRRSA-N 2 1 363.449 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914362 854822076 /nfs/dbraw/zinc/82/20/76/854822076.db2.gz CAEMRDRJKZSPIO-HUUCEWRRSA-N 2 1 363.449 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213925430 854826799 /nfs/dbraw/zinc/82/67/99/854826799.db2.gz CGZMFERBSBRIEO-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974408 854850947 /nfs/dbraw/zinc/85/09/47/854850947.db2.gz YNHWLGLDXPFONJ-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974407 854851289 /nfs/dbraw/zinc/85/12/89/854851289.db2.gz YNHWLGLDXPFONJ-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214661721 854987777 /nfs/dbraw/zinc/98/77/77/854987777.db2.gz ADWBCXMHQMAUIS-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001214665465 854989146 /nfs/dbraw/zinc/98/91/46/854989146.db2.gz CLHFHEAUWXJFJP-QKPAOTATSA-N 2 1 374.551 0.045 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214860926 855025027 /nfs/dbraw/zinc/02/50/27/855025027.db2.gz BJXRRAKNSSIHHL-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C)C1CC1 ZINC001214968772 855042381 /nfs/dbraw/zinc/04/23/81/855042381.db2.gz BDHNAKQAMFWJAT-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001214990281 855048646 /nfs/dbraw/zinc/04/86/46/855048646.db2.gz HYIBKFHNVZCPQQ-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001215002128 855050872 /nfs/dbraw/zinc/05/08/72/855050872.db2.gz ZYNURTTUOPAETJ-VXGBXAGGSA-N 2 1 366.428 0.832 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392873 855108711 /nfs/dbraw/zinc/10/87/11/855108711.db2.gz FWOTVXYGWIIXQA-BZUAXINKSA-N 2 1 354.495 0.057 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392873 855108722 /nfs/dbraw/zinc/10/87/22/855108722.db2.gz FWOTVXYGWIIXQA-BZUAXINKSA-N 2 1 354.495 0.057 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392924 855108746 /nfs/dbraw/zinc/10/87/46/855108746.db2.gz HIBAKRWCCNKQQY-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392924 855108750 /nfs/dbraw/zinc/10/87/50/855108750.db2.gz HIBAKRWCCNKQQY-BRWVUGGUSA-N 2 1 357.495 0.195 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215539862 855126351 /nfs/dbraw/zinc/12/63/51/855126351.db2.gz AULDMQMJXYBYJX-IIDMSEBBSA-N 2 1 359.486 0.644 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541032 855127482 /nfs/dbraw/zinc/12/74/82/855127482.db2.gz VIEWSOOJNAEBRX-LBTNJELSSA-N 2 1 356.486 0.724 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215551169 855128090 /nfs/dbraw/zinc/12/80/90/855128090.db2.gz LVKYQBSCWIAGDT-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216226310 855181359 /nfs/dbraw/zinc/18/13/59/855181359.db2.gz RZWJZCRTROZJOP-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216229526 855182153 /nfs/dbraw/zinc/18/21/53/855182153.db2.gz JKRWORJRWWIMNQ-HZPDHXFCSA-N 2 1 361.552 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001216383835 855197562 /nfs/dbraw/zinc/19/75/62/855197562.db2.gz QUOXRBGVZFYWEL-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001216490782 855206819 /nfs/dbraw/zinc/20/68/19/855206819.db2.gz ORPDPQGXDJNUQJ-HUUCEWRRSA-N 2 1 352.479 0.304 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001216494483 855206865 /nfs/dbraw/zinc/20/68/65/855206865.db2.gz JUJPHQNVLSBONB-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001216511629 855209053 /nfs/dbraw/zinc/20/90/53/855209053.db2.gz XWCAUYHCMRXEJM-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216511538 855209650 /nfs/dbraw/zinc/20/96/50/855209650.db2.gz SNRTWRHYJJWMAA-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216754371 855232923 /nfs/dbraw/zinc/23/29/23/855232923.db2.gz REEIWNOUZDYONH-RBSFLKMASA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595542 855352567 /nfs/dbraw/zinc/35/25/67/855352567.db2.gz RDNPNGPOMZLYEK-GVDBMIGSSA-N 2 1 355.479 0.044 20 0 FCADMP CC(C)OCCCN1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595542 855352569 /nfs/dbraw/zinc/35/25/69/855352569.db2.gz RDNPNGPOMZLYEK-GVDBMIGSSA-N 2 1 355.479 0.044 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001217743550 855371476 /nfs/dbraw/zinc/37/14/76/855371476.db2.gz VEZYLGXVGNSADP-CXTNEJHOSA-N 2 1 353.467 0.882 20 0 FCADMP CC[N@H+]1CCC[C@@H](Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])n(C)c2=O)C1 ZINC001218346996 855416275 /nfs/dbraw/zinc/41/62/75/855416275.db2.gz FVTDMDNJNROLIM-LLVKDONJSA-N 2 1 352.435 0.624 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@@H]32)CC1 ZINC001218550869 855438836 /nfs/dbraw/zinc/43/88/36/855438836.db2.gz QYBCYGHEEGMYPG-YESZJQIVSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)CC1 ZINC001218575482 855442756 /nfs/dbraw/zinc/44/27/56/855442756.db2.gz JDXVEGAIHKNDNL-LSDHHAIUSA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)CC1 ZINC001218575482 855442762 /nfs/dbraw/zinc/44/27/62/855442762.db2.gz JDXVEGAIHKNDNL-LSDHHAIUSA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218600998 855447329 /nfs/dbraw/zinc/44/73/29/855447329.db2.gz WVTVHJUKRZAONQ-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC001218789210 855479685 /nfs/dbraw/zinc/47/96/85/855479685.db2.gz CCBXBLSWZUZDFX-ZWKOTPCHSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001218789210 855479687 /nfs/dbraw/zinc/47/96/87/855479687.db2.gz CCBXBLSWZUZDFX-ZWKOTPCHSA-N 2 1 351.491 0.811 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826664 855484137 /nfs/dbraw/zinc/48/41/37/855484137.db2.gz WIKFCASLTPAYEE-FGTMMUONSA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919012 855495706 /nfs/dbraw/zinc/49/57/06/855495706.db2.gz LSYFJUSCAXISER-MELADBBJSA-N 2 1 367.412 0.553 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919012 855495711 /nfs/dbraw/zinc/49/57/11/855495711.db2.gz LSYFJUSCAXISER-MELADBBJSA-N 2 1 367.412 0.553 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919012 855495713 /nfs/dbraw/zinc/49/57/13/855495713.db2.gz LSYFJUSCAXISER-MELADBBJSA-N 2 1 367.412 0.553 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218919012 855495718 /nfs/dbraw/zinc/49/57/18/855495718.db2.gz LSYFJUSCAXISER-MELADBBJSA-N 2 1 367.412 0.553 20 0 FCADMP COC(=O)c1cc(NC(=O)C[NH2+]CCC[NH3+])c(NC(C)=O)cc1OC ZINC001219225602 855591154 /nfs/dbraw/zinc/59/11/54/855591154.db2.gz DQMWZSFCJKSNEM-UHFFFAOYSA-N 2 1 352.391 0.317 20 0 FCADMP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)Cc1ccc(F)c(F)c1 ZINC001219765078 855802897 /nfs/dbraw/zinc/80/28/97/855802897.db2.gz UFRNRTARQKRDDT-ILXRZTDVSA-N 2 1 352.429 0.635 20 0 FCADMP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)Cc1ccc(F)c(F)c1 ZINC001219765078 855802903 /nfs/dbraw/zinc/80/29/03/855802903.db2.gz UFRNRTARQKRDDT-ILXRZTDVSA-N 2 1 352.429 0.635 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796855 855817419 /nfs/dbraw/zinc/81/74/19/855817419.db2.gz TXABHUNFLHSWEG-KSZLIROESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796855 855817424 /nfs/dbraw/zinc/81/74/24/855817424.db2.gz TXABHUNFLHSWEG-KSZLIROESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796855 855817426 /nfs/dbraw/zinc/81/74/26/855817426.db2.gz TXABHUNFLHSWEG-KSZLIROESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001219796017 855817509 /nfs/dbraw/zinc/81/75/09/855817509.db2.gz IZGDMBCTRIYAEM-SJORKVTESA-N 2 1 352.523 0.865 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796696 855817566 /nfs/dbraw/zinc/81/75/66/855817566.db2.gz MROCUGQQDHJBSK-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796696 855817571 /nfs/dbraw/zinc/81/75/71/855817571.db2.gz MROCUGQQDHJBSK-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796696 855817574 /nfs/dbraw/zinc/81/75/74/855817574.db2.gz MROCUGQQDHJBSK-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804547 855823092 /nfs/dbraw/zinc/82/30/92/855823092.db2.gz ZKGLFMJIFFRKQQ-PMPSAXMXSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804547 855823098 /nfs/dbraw/zinc/82/30/98/855823098.db2.gz ZKGLFMJIFFRKQQ-PMPSAXMXSA-N 2 1 350.463 0.737 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805695 855824399 /nfs/dbraw/zinc/82/43/99/855824399.db2.gz PPCOLRMOTGFOBM-RDBSUJKOSA-N 2 1 367.412 0.457 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879387 855858699 /nfs/dbraw/zinc/85/86/99/855858699.db2.gz JJMYXCWUOBYEGX-RDBSUJKOSA-N 2 1 367.412 0.601 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879387 855858703 /nfs/dbraw/zinc/85/87/03/855858703.db2.gz JJMYXCWUOBYEGX-RDBSUJKOSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879387 855858708 /nfs/dbraw/zinc/85/87/08/855858708.db2.gz JJMYXCWUOBYEGX-RDBSUJKOSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879387 855858714 /nfs/dbraw/zinc/85/87/14/855858714.db2.gz JJMYXCWUOBYEGX-RDBSUJKOSA-N 2 1 367.412 0.601 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919757 855878775 /nfs/dbraw/zinc/87/87/75/855878775.db2.gz MARJCVLYWRLVST-SJORKVTESA-N 2 1 350.463 0.496 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219939257 855888202 /nfs/dbraw/zinc/88/82/02/855888202.db2.gz YFNWMNZDWXNURW-YESZJQIVSA-N 2 1 351.491 0.905 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001220057557 855937049 /nfs/dbraw/zinc/93/70/49/855937049.db2.gz BGXAUAXAKIGEHY-SQNIBIBYSA-N 2 1 351.491 0.449 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001220057557 855937058 /nfs/dbraw/zinc/93/70/58/855937058.db2.gz BGXAUAXAKIGEHY-SQNIBIBYSA-N 2 1 351.491 0.449 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001220119196 855969608 /nfs/dbraw/zinc/96/96/08/855969608.db2.gz FBMKYPRSSCYWGU-IXDOHACOSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220226882 856021389 /nfs/dbraw/zinc/02/13/89/856021389.db2.gz CPSIYIHTAOKBTJ-OLZOCXBDSA-N 2 1 367.412 0.459 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001220230696 856023773 /nfs/dbraw/zinc/02/37/73/856023773.db2.gz OQRQCNWHUVQVKD-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269269 856037829 /nfs/dbraw/zinc/03/78/29/856037829.db2.gz UUBWUEDSFRBAND-KGLIPLIRSA-N 2 1 367.412 0.459 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)CC1 ZINC001220303828 856054411 /nfs/dbraw/zinc/05/44/11/856054411.db2.gz FNQOMQAFMKRTAQ-HNNXBMFYSA-N 2 1 356.511 0.579 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220550563 856180104 /nfs/dbraw/zinc/18/01/04/856180104.db2.gz YQDNSEOGMBWPKU-ZACQAIPSSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220550563 856180111 /nfs/dbraw/zinc/18/01/11/856180111.db2.gz YQDNSEOGMBWPKU-ZACQAIPSSA-N 2 1 350.463 0.560 20 0 FCADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643003 856216986 /nfs/dbraw/zinc/21/69/86/856216986.db2.gz PTVKEXVEIKTSQV-JQHSSLGASA-N 2 1 355.523 0.941 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220740739 856274018 /nfs/dbraw/zinc/27/40/18/856274018.db2.gz PXQIOKVQAZOVMU-BBWFWOEESA-N 2 1 359.511 0.057 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755427 856281802 /nfs/dbraw/zinc/28/18/02/856281802.db2.gz OJRSIYAHVJVUIT-MJBXVCDLSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755427 856281811 /nfs/dbraw/zinc/28/18/11/856281811.db2.gz OJRSIYAHVJVUIT-MJBXVCDLSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755427 856281821 /nfs/dbraw/zinc/28/18/21/856281821.db2.gz OJRSIYAHVJVUIT-MJBXVCDLSA-N 2 1 367.412 0.459 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001220825704 856325627 /nfs/dbraw/zinc/32/56/27/856325627.db2.gz BZXDGRNJQWDYCP-SJORKVTESA-N 2 1 351.495 0.393 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001220825704 856325635 /nfs/dbraw/zinc/32/56/35/856325635.db2.gz BZXDGRNJQWDYCP-SJORKVTESA-N 2 1 351.495 0.393 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001220825704 856325646 /nfs/dbraw/zinc/32/56/46/856325646.db2.gz BZXDGRNJQWDYCP-SJORKVTESA-N 2 1 351.495 0.393 20 0 FCADMP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220870200 856349735 /nfs/dbraw/zinc/34/97/35/856349735.db2.gz IXIDKORBJQNMKG-NSHDSACASA-N 2 1 353.224 0.043 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CCN3)CC2)c1 ZINC001220911031 856369937 /nfs/dbraw/zinc/36/99/37/856369937.db2.gz CTQYIQGSLLMYCC-KRWDZBQOSA-N 2 1 350.438 0.476 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221073310 856449673 /nfs/dbraw/zinc/44/96/73/856449673.db2.gz PQURVNZURLOVTH-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081408 856452794 /nfs/dbraw/zinc/45/27/94/856452794.db2.gz JXXOPCZXPGBRTD-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221081057 856452821 /nfs/dbraw/zinc/45/28/21/856452821.db2.gz DBNYDJKGRDUQNO-MCIONIFRSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221081057 856452826 /nfs/dbraw/zinc/45/28/26/856452826.db2.gz DBNYDJKGRDUQNO-MCIONIFRSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001221154317 856487275 /nfs/dbraw/zinc/48/72/75/856487275.db2.gz LGPOJQHNSLUEJB-KSZLIROESA-N 2 1 353.507 0.840 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)[C@@H]2C1 ZINC001279269101 862803507 /nfs/dbraw/zinc/80/35/07/862803507.db2.gz JXQXRUBAXOFZFA-QBPKDAKJSA-N 2 1 351.491 0.775 20 0 FCADMP [NH3+]CCCP(CCCNC(=O)C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001221271384 856534856 /nfs/dbraw/zinc/53/48/56/856534856.db2.gz BZHGFUWHTFOAIK-UHFFFAOYSA-N 3 1 364.474 0.991 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](C)C1 ZINC001221407679 856559413 /nfs/dbraw/zinc/55/94/13/856559413.db2.gz DUIPUIPJDIJATA-KKUMJFAQSA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444696 856568779 /nfs/dbraw/zinc/56/87/79/856568779.db2.gz KKSLQHCNOKORBT-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444696 856568781 /nfs/dbraw/zinc/56/87/81/856568781.db2.gz KKSLQHCNOKORBT-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444696 856568783 /nfs/dbraw/zinc/56/87/83/856568783.db2.gz KKSLQHCNOKORBT-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444696 856568784 /nfs/dbraw/zinc/56/87/84/856568784.db2.gz KKSLQHCNOKORBT-BZUAXINKSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221615617 856625119 /nfs/dbraw/zinc/62/51/19/856625119.db2.gz QGEJFSITADRGJW-KZNAEPCWSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221615617 856625122 /nfs/dbraw/zinc/62/51/22/856625122.db2.gz QGEJFSITADRGJW-KZNAEPCWSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221615617 856625123 /nfs/dbraw/zinc/62/51/23/856625123.db2.gz QGEJFSITADRGJW-KZNAEPCWSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627470 856628655 /nfs/dbraw/zinc/62/86/55/856628655.db2.gz MPNBACYFMKNQRO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627470 856628659 /nfs/dbraw/zinc/62/86/59/856628659.db2.gz MPNBACYFMKNQRO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627470 856628668 /nfs/dbraw/zinc/62/86/68/856628668.db2.gz MPNBACYFMKNQRO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627470 856628672 /nfs/dbraw/zinc/62/86/72/856628672.db2.gz MPNBACYFMKNQRO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001221637370 856633205 /nfs/dbraw/zinc/63/32/05/856633205.db2.gz FPDGUYHMHMRZRA-OAGGEKHMSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001221637370 856633212 /nfs/dbraw/zinc/63/32/12/856633212.db2.gz FPDGUYHMHMRZRA-OAGGEKHMSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001221637370 856633218 /nfs/dbraw/zinc/63/32/18/856633218.db2.gz FPDGUYHMHMRZRA-OAGGEKHMSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001221810589 856693386 /nfs/dbraw/zinc/69/33/86/856693386.db2.gz XOABIBZVTGOAOC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001221810589 856693397 /nfs/dbraw/zinc/69/33/97/856693397.db2.gz XOABIBZVTGOAOC-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)C(C)C ZINC001221877867 856719807 /nfs/dbraw/zinc/71/98/07/856719807.db2.gz NBIXDNABDSLZLP-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221879690 856721384 /nfs/dbraw/zinc/72/13/84/856721384.db2.gz OCHLDACHFYJOIB-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889893 856724406 /nfs/dbraw/zinc/72/44/06/856724406.db2.gz UHUXFMRFUXLHFT-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895121 856726103 /nfs/dbraw/zinc/72/61/03/856726103.db2.gz WMOXSTWEGSVUNP-LZLYRXPVSA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919247 856732796 /nfs/dbraw/zinc/73/27/96/856732796.db2.gz FYFOEXPXWRRBLN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919247 856732802 /nfs/dbraw/zinc/73/28/02/856732802.db2.gz FYFOEXPXWRRBLN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919247 856732811 /nfs/dbraw/zinc/73/28/11/856732811.db2.gz FYFOEXPXWRRBLN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919247 856732820 /nfs/dbraw/zinc/73/28/20/856732820.db2.gz FYFOEXPXWRRBLN-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921714 856734152 /nfs/dbraw/zinc/73/41/52/856734152.db2.gz GFXQRZKTISOCCL-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921714 856734157 /nfs/dbraw/zinc/73/41/57/856734157.db2.gz GFXQRZKTISOCCL-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921714 856734167 /nfs/dbraw/zinc/73/41/67/856734167.db2.gz GFXQRZKTISOCCL-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221921714 856734177 /nfs/dbraw/zinc/73/41/77/856734177.db2.gz GFXQRZKTISOCCL-ARFHVFGLSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920663 856734362 /nfs/dbraw/zinc/73/43/62/856734362.db2.gz PZKLTNGQMMXRJR-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920663 856734370 /nfs/dbraw/zinc/73/43/70/856734370.db2.gz PZKLTNGQMMXRJR-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920663 856734380 /nfs/dbraw/zinc/73/43/80/856734380.db2.gz PZKLTNGQMMXRJR-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920663 856734386 /nfs/dbraw/zinc/73/43/86/856734386.db2.gz PZKLTNGQMMXRJR-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001221950408 856746025 /nfs/dbraw/zinc/74/60/25/856746025.db2.gz GFSPSRGKVHRJBA-KFWWJZLASA-N 2 1 361.433 0.522 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958634 856748596 /nfs/dbraw/zinc/74/85/96/856748596.db2.gz VVIGZVXXFOJOQV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958634 856748604 /nfs/dbraw/zinc/74/86/04/856748604.db2.gz VVIGZVXXFOJOQV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054259 856787702 /nfs/dbraw/zinc/78/77/02/856787702.db2.gz JEDZUFGRRHBRGP-KZNAEPCWSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222054259 856787706 /nfs/dbraw/zinc/78/77/06/856787706.db2.gz JEDZUFGRRHBRGP-KZNAEPCWSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222054259 856787710 /nfs/dbraw/zinc/78/77/10/856787710.db2.gz JEDZUFGRRHBRGP-KZNAEPCWSA-N 2 1 355.523 0.893 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707268 856867117 /nfs/dbraw/zinc/86/71/17/856867117.db2.gz BRFKNOOIBPPYLN-TVFCKZIOSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707268 856867119 /nfs/dbraw/zinc/86/71/19/856867119.db2.gz BRFKNOOIBPPYLN-TVFCKZIOSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707268 856867123 /nfs/dbraw/zinc/86/71/23/856867123.db2.gz BRFKNOOIBPPYLN-TVFCKZIOSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222809437 856874161 /nfs/dbraw/zinc/87/41/61/856874161.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222809437 856874162 /nfs/dbraw/zinc/87/41/62/856874162.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222809437 856874168 /nfs/dbraw/zinc/87/41/68/856874168.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505700 856921206 /nfs/dbraw/zinc/92/12/06/856921206.db2.gz OCHKKSSEJKFOGQ-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505700 856921214 /nfs/dbraw/zinc/92/12/14/856921214.db2.gz OCHKKSSEJKFOGQ-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505700 856921217 /nfs/dbraw/zinc/92/12/17/856921217.db2.gz OCHKKSSEJKFOGQ-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505700 856921223 /nfs/dbraw/zinc/92/12/23/856921223.db2.gz OCHKKSSEJKFOGQ-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916319 856951115 /nfs/dbraw/zinc/95/11/15/856951115.db2.gz GSUGSTWTCAMRQP-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916319 856951117 /nfs/dbraw/zinc/95/11/17/856951117.db2.gz GSUGSTWTCAMRQP-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001224233072 856970496 /nfs/dbraw/zinc/97/04/96/856970496.db2.gz HUPUISAWBUMUQL-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001224233072 856970499 /nfs/dbraw/zinc/97/04/99/856970499.db2.gz HUPUISAWBUMUQL-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001224233072 856970506 /nfs/dbraw/zinc/97/05/06/856970506.db2.gz HUPUISAWBUMUQL-SQNIBIBYSA-N 2 1 353.507 0.793 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3CCCC3=O)[C@H]2C1 ZINC001224232666 856970859 /nfs/dbraw/zinc/97/08/59/856970859.db2.gz BBCSSZNRZYZSTN-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001224232666 856970862 /nfs/dbraw/zinc/97/08/62/856970862.db2.gz BBCSSZNRZYZSTN-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001224232666 856970869 /nfs/dbraw/zinc/97/08/69/856970869.db2.gz BBCSSZNRZYZSTN-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225345555 857036492 /nfs/dbraw/zinc/03/64/92/857036492.db2.gz AAHGNHVVPVSUCE-ZACQAIPSSA-N 2 1 354.495 0.250 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355900 857205529 /nfs/dbraw/zinc/20/55/29/857205529.db2.gz VUSOZJSHLRTHFU-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001228593421 857217581 /nfs/dbraw/zinc/21/75/81/857217581.db2.gz BXQLLUHDBJXRKD-BZUAXINKSA-N 2 1 359.536 0.922 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623778 857219454 /nfs/dbraw/zinc/21/94/54/857219454.db2.gz KYZTVFHHWXNLJJ-ZIAGYGMSSA-N 2 1 351.499 0.705 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623778 857219459 /nfs/dbraw/zinc/21/94/59/857219459.db2.gz KYZTVFHHWXNLJJ-ZIAGYGMSSA-N 2 1 351.499 0.705 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141393 857252997 /nfs/dbraw/zinc/25/29/97/857252997.db2.gz FQQBJTADABWMAB-HZPDHXFCSA-N 2 1 354.495 0.252 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138021 857305837 /nfs/dbraw/zinc/30/58/37/857305837.db2.gz CFGALLJJNXVTMD-ARFHVFGLSA-N 2 1 354.495 0.108 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770208 857366480 /nfs/dbraw/zinc/36/64/80/857366480.db2.gz RUKYLCSFBIQTJH-KBPBESRZSA-N 2 1 360.483 0.709 20 0 FCADMP Brc1cn2c(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cnc2cn1 ZINC001234988618 857416918 /nfs/dbraw/zinc/41/69/18/857416918.db2.gz QIIZLABYUYVJRJ-AWEZNQCLSA-N 2 1 351.252 0.629 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502429 862919324 /nfs/dbraw/zinc/91/93/24/862919324.db2.gz QRKBWVCOGHQYHO-IEBWSBKVSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502429 862919336 /nfs/dbraw/zinc/91/93/36/862919336.db2.gz QRKBWVCOGHQYHO-IEBWSBKVSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502429 862919353 /nfs/dbraw/zinc/91/93/53/862919353.db2.gz QRKBWVCOGHQYHO-IEBWSBKVSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279502434 862919862 /nfs/dbraw/zinc/91/98/62/862919862.db2.gz QRKBWVCOGHQYHO-PKOBYXMFSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502434 862919869 /nfs/dbraw/zinc/91/98/69/862919869.db2.gz QRKBWVCOGHQYHO-PKOBYXMFSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502434 862919879 /nfs/dbraw/zinc/91/98/79/862919879.db2.gz QRKBWVCOGHQYHO-PKOBYXMFSA-N 2 1 352.523 0.583 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CN(S(=O)(=O)N(C)C)C3)C2)CC1 ZINC001279502880 862921091 /nfs/dbraw/zinc/92/10/91/862921091.db2.gz ZFCADQHORCLMSK-UHFFFAOYSA-N 2 1 358.552 0.923 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246012541 857564891 /nfs/dbraw/zinc/56/48/91/857564891.db2.gz AKGIFZYAYALDGC-GJZGRUSLSA-N 3 1 359.511 0.281 20 0 FCADMP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055941 857567064 /nfs/dbraw/zinc/56/70/64/857567064.db2.gz MYFQAELZRANBNU-OALUTQOASA-N 2 1 358.571 0.665 20 0 FCADMP CCCOC[C@H](O)C[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001246063462 857567171 /nfs/dbraw/zinc/56/71/71/857567171.db2.gz OJXYVHDCOJPVNF-LJQANCHMSA-N 2 1 357.539 0.798 20 0 FCADMP O=C([C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246133632 857569495 /nfs/dbraw/zinc/56/94/95/857569495.db2.gz KUNYZOWSJSHLRW-ZNMIVQPWSA-N 2 1 354.520 0.141 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(C(=S)NCCC[S@@](C)=O)CC2)CC1 ZINC001246501977 857582682 /nfs/dbraw/zinc/58/26/82/857582682.db2.gz CFQMMYMZMMXRAR-HSZRJFAPSA-N 2 1 360.593 0.589 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604007 857585567 /nfs/dbraw/zinc/58/55/67/857585567.db2.gz PYLLODOUQMOZOO-SOUVJXGZSA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1C[NH2+]CCC2 ZINC001246599129 857586419 /nfs/dbraw/zinc/58/64/19/857586419.db2.gz ATXDEDMYQNHCIK-KRXQYRFLSA-N 2 1 353.463 0.145 20 0 FCADMP C1[NH2+]CC12C[C@@H](N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CS2 ZINC001246670027 857589540 /nfs/dbraw/zinc/58/95/40/857589540.db2.gz UOUQPLYDRWTTOY-CQSZACIVSA-N 2 1 351.520 0.308 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737609 857595044 /nfs/dbraw/zinc/59/50/44/857595044.db2.gz DWJKOECDNUMXBH-TZNCUMHOSA-N 2 1 351.491 0.570 20 0 FCADMP CCOC(=O)N1CCC[C@@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924719 857605338 /nfs/dbraw/zinc/60/53/38/857605338.db2.gz JEWXTLOXHPTGGD-OAHLLOKOSA-N 3 1 357.499 0.113 20 0 FCADMP CCOC(=O)N1CCC[C@@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924719 857605342 /nfs/dbraw/zinc/60/53/42/857605342.db2.gz JEWXTLOXHPTGGD-OAHLLOKOSA-N 3 1 357.499 0.113 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC001246985900 857608752 /nfs/dbraw/zinc/60/87/52/857608752.db2.gz AQWUJSKHTKUVLZ-HKUYNNGSSA-N 3 1 352.523 0.818 20 0 FCADMP CCOC(=O)[C@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)CCC12C[NH2+]C2 ZINC001247009505 857609044 /nfs/dbraw/zinc/60/90/44/857609044.db2.gz QVQNMGAJXOSZDO-KOHRHEQBSA-N 3 1 351.491 0.762 20 0 FCADMP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001249833817 857651549 /nfs/dbraw/zinc/65/15/49/857651549.db2.gz ZXENGOGMUJEYCJ-GOEBONIOSA-N 2 1 352.504 0.848 20 0 FCADMP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001249833817 857651551 /nfs/dbraw/zinc/65/15/51/857651551.db2.gz ZXENGOGMUJEYCJ-GOEBONIOSA-N 2 1 352.504 0.848 20 0 FCADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001249836714 857652429 /nfs/dbraw/zinc/65/24/29/857652429.db2.gz AJJZEKZRYMRNGW-CQSZACIVSA-N 2 1 356.536 0.772 20 0 FCADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252057973 857780890 /nfs/dbraw/zinc/78/08/90/857780890.db2.gz SOFUUBAKZBRXSG-GJZGRUSLSA-N 2 1 355.504 0.799 20 0 FCADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252057973 857780893 /nfs/dbraw/zinc/78/08/93/857780893.db2.gz SOFUUBAKZBRXSG-GJZGRUSLSA-N 2 1 355.504 0.799 20 0 FCADMP COCCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC001253075513 857858684 /nfs/dbraw/zinc/85/86/84/857858684.db2.gz SSMJLBXHONQMDH-SFHVURJKSA-N 2 1 352.475 0.662 20 0 FCADMP CCN1CC2(CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2)[C@@H](COC)C1=O ZINC001253186535 857870224 /nfs/dbraw/zinc/87/02/24/857870224.db2.gz PMYDLIQFBZPUJN-IRXDYDNUSA-N 2 1 355.523 0.896 20 0 FCADMP CCN1CC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)[C@@H](COC)C1=O ZINC001253389913 857884932 /nfs/dbraw/zinc/88/49/32/857884932.db2.gz FJNWMJMLEVABDP-CVEARBPZSA-N 2 1 355.523 0.942 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678696 857903337 /nfs/dbraw/zinc/90/33/37/857903337.db2.gz NUOXGZVJVMSEMP-BZUAXINKSA-N 2 1 358.479 0.358 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678696 857903338 /nfs/dbraw/zinc/90/33/38/857903338.db2.gz NUOXGZVJVMSEMP-BZUAXINKSA-N 2 1 358.479 0.358 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001253678696 857903339 /nfs/dbraw/zinc/90/33/39/857903339.db2.gz NUOXGZVJVMSEMP-BZUAXINKSA-N 2 1 358.479 0.358 20 0 FCADMP COc1cccc(OC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC001253978835 857931638 /nfs/dbraw/zinc/93/16/38/857931638.db2.gz BPCNLMSJVVIKHU-OAHLLOKOSA-N 2 1 351.447 0.189 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC001279609092 862976564 /nfs/dbraw/zinc/97/65/64/862976564.db2.gz GVVCICNWVDUJTD-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)CC1 ZINC001279609764 862977438 /nfs/dbraw/zinc/97/74/38/862977438.db2.gz WDIIAGXKCVLKSV-KGLIPLIRSA-N 2 1 364.412 0.985 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3CN(C(=O)NCC(F)(F)F)C[C@@H](C2)O3)CC1 ZINC001279609386 862977657 /nfs/dbraw/zinc/97/76/57/862977657.db2.gz QRPUCTLZYFYOBI-OKILXGFUSA-N 2 1 364.412 0.985 20 0 FCADMP CN(C)S(=O)(=O)N1CCC2(C1)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001279616578 862982480 /nfs/dbraw/zinc/98/24/80/862982480.db2.gz BORDCVYIUWLLKV-UHFFFAOYSA-N 2 1 353.492 0.588 20 0 FCADMP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001256350086 858072478 /nfs/dbraw/zinc/07/24/78/858072478.db2.gz RHGZQMXGSAHOAT-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001256792903 858098781 /nfs/dbraw/zinc/09/87/81/858098781.db2.gz VMHUYUKUQBAVOH-DLBZAZTESA-N 2 1 352.523 0.881 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3CCN2CCOCC2)CC1 ZINC001279772773 863054283 /nfs/dbraw/zinc/05/42/83/863054283.db2.gz RVSZQIYKUKSXEM-QFBILLFUSA-N 2 1 350.507 0.336 20 0 FCADMP [NH3+][C@@H](C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046813 858765900 /nfs/dbraw/zinc/76/59/00/858765900.db2.gz ZEZZYAQWMYRVHC-ZWKOTPCHSA-N 2 1 352.523 0.807 20 0 FCADMP COCCC1(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC001262091756 858777591 /nfs/dbraw/zinc/77/75/91/858777591.db2.gz UJDNZKIJDYPWDM-IYBDPMFKSA-N 2 1 356.511 0.944 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001262184168 858809822 /nfs/dbraw/zinc/80/98/22/858809822.db2.gz XLCGHXUYEXBUDW-UHFFFAOYSA-N 2 1 352.523 0.774 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1=O ZINC001262574515 859004294 /nfs/dbraw/zinc/00/42/94/859004294.db2.gz UNWWVGQLZLCHKI-RHSMWYFYSA-N 2 1 353.438 0.628 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001263095426 859099361 /nfs/dbraw/zinc/09/93/61/859099361.db2.gz LTJPGOMCGOGBCC-KRWDZBQOSA-N 2 1 366.531 0.924 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001263103724 859103100 /nfs/dbraw/zinc/10/31/00/859103100.db2.gz JSYNFHAHZAACER-GVDBMIGSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CC1 ZINC001263111848 859104761 /nfs/dbraw/zinc/10/47/61/859104761.db2.gz QRVFCQQVARBBRW-INIZCTEOSA-N 2 1 368.547 0.830 20 0 FCADMP CSCC[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001263183025 859118899 /nfs/dbraw/zinc/11/88/99/859118899.db2.gz GFLAPQNFWHLNSG-HOTGVXAUSA-N 2 1 358.552 0.370 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094556 859309246 /nfs/dbraw/zinc/30/92/46/859309246.db2.gz LOGRPKOAXSFXPL-XHSDSOJGSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001264645570 859410663 /nfs/dbraw/zinc/41/06/63/859410663.db2.gz OCIOIKHGNZWMSJ-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264653224 859415482 /nfs/dbraw/zinc/41/54/82/859415482.db2.gz OSDNBGMOBUYPSB-FGTMMUONSA-N 2 1 353.507 0.506 20 0 FCADMP CCCC[C@H](CC)C[N@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]21 ZINC001269992769 859624919 /nfs/dbraw/zinc/62/49/19/859624919.db2.gz YBFCPVUZGMKKHZ-XHSDSOJGSA-N 2 1 353.511 0.940 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001272744699 860244348 /nfs/dbraw/zinc/24/43/48/860244348.db2.gz LLHXUPQOGANZRZ-HKUYNNGSSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001273316938 860447932 /nfs/dbraw/zinc/44/79/32/860447932.db2.gz SVJMPFXBVOOVGT-GJYPPUQNSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](C)C1)CC2 ZINC001273836634 860614066 /nfs/dbraw/zinc/61/40/66/860614066.db2.gz YCLWYIYMGZSPHJ-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273836634 860614071 /nfs/dbraw/zinc/61/40/71/860614071.db2.gz YCLWYIYMGZSPHJ-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001273836634 860614074 /nfs/dbraw/zinc/61/40/74/860614074.db2.gz YCLWYIYMGZSPHJ-INIZCTEOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](C)C1)C2 ZINC001273834947 860614460 /nfs/dbraw/zinc/61/44/60/860614460.db2.gz JHEZSBDNBAWQDW-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273834947 860614463 /nfs/dbraw/zinc/61/44/63/860614463.db2.gz JHEZSBDNBAWQDW-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273834947 860614466 /nfs/dbraw/zinc/61/44/66/860614466.db2.gz JHEZSBDNBAWQDW-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001274908018 860869502 /nfs/dbraw/zinc/86/95/02/860869502.db2.gz ISXSMQTUVXCJKN-LNLFQRSKSA-N 2 1 351.491 0.687 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001274908018 860869505 /nfs/dbraw/zinc/86/95/05/860869505.db2.gz ISXSMQTUVXCJKN-LNLFQRSKSA-N 2 1 351.491 0.687 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001274908018 860869508 /nfs/dbraw/zinc/86/95/08/860869508.db2.gz ISXSMQTUVXCJKN-LNLFQRSKSA-N 2 1 351.491 0.687 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001274908018 860869509 /nfs/dbraw/zinc/86/95/09/860869509.db2.gz ISXSMQTUVXCJKN-LNLFQRSKSA-N 2 1 351.491 0.687 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001274924234 860872582 /nfs/dbraw/zinc/87/25/82/860872582.db2.gz LNKOVXLJAGXHOW-KSZLIROESA-N 2 1 350.507 0.334 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)C3([NH+](C)C)CC3)C2)C1 ZINC001274953985 860880258 /nfs/dbraw/zinc/88/02/58/860880258.db2.gz WPNRQGLEZSTGLN-GOSISDBHSA-N 2 1 350.507 0.873 20 0 FCADMP CCc1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)on1 ZINC001275183248 860982567 /nfs/dbraw/zinc/98/25/67/860982567.db2.gz QJCLGVMJYFDMPW-GOSISDBHSA-N 2 1 350.463 0.850 20 0 FCADMP CCc1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)on1 ZINC001275183248 860982578 /nfs/dbraw/zinc/98/25/78/860982578.db2.gz QJCLGVMJYFDMPW-GOSISDBHSA-N 2 1 350.463 0.850 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275466042 861104597 /nfs/dbraw/zinc/10/45/97/861104597.db2.gz VSDLPQWKXXDHDC-SFHVURJKSA-N 2 1 350.463 0.904 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511616 861116830 /nfs/dbraw/zinc/11/68/30/861116830.db2.gz KYQUHIDASHPQNS-SFHVURJKSA-N 2 1 373.563 0.933 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511616 861116834 /nfs/dbraw/zinc/11/68/34/861116834.db2.gz KYQUHIDASHPQNS-SFHVURJKSA-N 2 1 373.563 0.933 20 0 FCADMP Cc1nc(CN2CC3(C[NH+](CC4CC[NH2+]CC4)C3)OCC2=O)cs1 ZINC001275737824 861182422 /nfs/dbraw/zinc/18/24/22/861182422.db2.gz OUONCXOAIQBPGF-UHFFFAOYSA-N 2 1 350.488 0.864 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743864 861187719 /nfs/dbraw/zinc/18/77/19/861187719.db2.gz ZLXJSAVEZPVEEC-IBGZPJMESA-N 3 1 352.523 0.583 20 0 FCADMP CCC1(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)O3)COC1 ZINC001279906262 863127983 /nfs/dbraw/zinc/12/79/83/863127983.db2.gz WADZBEUUOITJIW-INIZCTEOSA-N 2 1 351.491 0.857 20 0 FCADMP COCCOC[N@@H+]1CC[C@@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975851 863161804 /nfs/dbraw/zinc/16/18/04/863161804.db2.gz RGZHUNPGXGQSEV-QGZVFWFLSA-N 2 1 358.552 0.831 20 0 FCADMP COCCOC[N@H+]1CC[C@@]2(C1)CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001279975851 863161807 /nfs/dbraw/zinc/16/18/07/863161807.db2.gz RGZHUNPGXGQSEV-QGZVFWFLSA-N 2 1 358.552 0.831 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026660 863199067 /nfs/dbraw/zinc/19/90/67/863199067.db2.gz WFBKWDXFMMPBMW-PNBKFKSVSA-N 2 1 351.491 0.964 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CCC3(CN(CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280137173 863287379 /nfs/dbraw/zinc/28/73/79/863287379.db2.gz IIJMLTWOMODEJK-QGZVFWFLSA-N 2 1 350.507 0.430 20 0 FCADMP C[NH+]1CCC(CC[NH+]2CC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280140918 863290422 /nfs/dbraw/zinc/29/04/22/863290422.db2.gz OGGQMQGHXIKBNS-OAHLLOKOSA-N 2 1 357.520 0.201 20 0 FCADMP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280176002 863307999 /nfs/dbraw/zinc/30/79/99/863307999.db2.gz HEPQWZMVMVHRQL-HZPDHXFCSA-N 2 1 354.564 0.814 20 0 FCADMP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](COCCOC)C[C@@H]12 ZINC001280176837 863308023 /nfs/dbraw/zinc/30/80/23/863308023.db2.gz NSHUYKVEFNBFES-HOTGVXAUSA-N 2 1 371.547 0.872 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@H]2C1 ZINC001280188651 863317871 /nfs/dbraw/zinc/31/78/71/863317871.db2.gz IOKYXEPMYNIGTR-QEJZJMRPSA-N 2 1 364.515 0.845 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CC12C[NH+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001280237151 863354216 /nfs/dbraw/zinc/35/42/16/863354216.db2.gz MCORBEVYECWFJG-OAHLLOKOSA-N 2 1 350.507 0.635 20 0 FCADMP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)N3CC[NH+](C)CC3)(C1)CCC2 ZINC001280302898 863395471 /nfs/dbraw/zinc/39/54/71/863395471.db2.gz RFZVXWNNCAEPFB-MSOLQXFVSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1C[NH+](C)CCN1C ZINC001349466299 866348158 /nfs/dbraw/zinc/34/81/58/866348158.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001349466299 866348170 /nfs/dbraw/zinc/34/81/70/866348170.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1CN(C)CCN1C ZINC001349466299 866348207 /nfs/dbraw/zinc/34/82/07/866348207.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 1 355.527 0.109 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn([C@H]3CCN(CC(F)(F)F)C3=O)nn2)CC1 ZINC001349743950 866428420 /nfs/dbraw/zinc/42/84/20/866428420.db2.gz DZEONHWLWSWHAN-ZDUSSCGKSA-N 2 1 360.384 0.579 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001350908088 866727430 /nfs/dbraw/zinc/72/74/30/866727430.db2.gz AMXDCNIWMGNSMC-XQQFMLRXSA-N 2 1 350.385 0.520 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351786640 866969462 /nfs/dbraw/zinc/96/94/62/866969462.db2.gz GNCUKLCBYMIHFI-SZMVWBNQSA-N 2 1 351.539 0.994 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001318975601 867793479 /nfs/dbraw/zinc/79/34/79/867793479.db2.gz XIHSVEULNGJQEO-WBVHZDCISA-N 2 1 353.511 0.032 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)NC1CC1 ZINC001319117763 867833956 /nfs/dbraw/zinc/83/39/56/867833956.db2.gz ZHMMBFOUSNMURR-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001319627985 867965988 /nfs/dbraw/zinc/96/59/88/867965988.db2.gz YIAMHXLEYAYTAP-FGTMMUONSA-N 2 1 351.539 0.107 20 0 FCADMP O=S1(=O)CCCC[C@@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001320090486 868080605 /nfs/dbraw/zinc/08/06/05/868080605.db2.gz BLMOPIYFPOWPMZ-QGZVFWFLSA-N 2 1 359.536 0.340 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001357365667 868105267 /nfs/dbraw/zinc/10/52/67/868105267.db2.gz CNYGYBGQPDATRN-GASCZTMLSA-N 2 1 352.479 0.891 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001358666591 868243585 /nfs/dbraw/zinc/24/35/85/868243585.db2.gz YWOIKRLAJDALPA-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001321612431 868538605 /nfs/dbraw/zinc/53/86/05/868538605.db2.gz QOORCTXOAOHUJP-SUMWQHHRSA-N 2 1 367.519 0.497 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519845 868842291 /nfs/dbraw/zinc/84/22/91/868842291.db2.gz HUBALMSRBLUZGF-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001322524017 868842958 /nfs/dbraw/zinc/84/29/58/868842958.db2.gz FCQIZNABRAPEGZ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001322524017 868842963 /nfs/dbraw/zinc/84/29/63/868842963.db2.gz FCQIZNABRAPEGZ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001322524017 868842973 /nfs/dbraw/zinc/84/29/73/868842973.db2.gz FCQIZNABRAPEGZ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001322723829 868920660 /nfs/dbraw/zinc/92/06/60/868920660.db2.gz ILBPJSBZPPXKQK-LBPRGKRZSA-N 2 1 364.412 0.682 20 0 FCADMP CN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001322723829 868920670 /nfs/dbraw/zinc/92/06/70/868920670.db2.gz ILBPJSBZPPXKQK-LBPRGKRZSA-N 2 1 364.412 0.682 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC001325830567 870050976 /nfs/dbraw/zinc/05/09/76/870050976.db2.gz XUQXZPFHEBJUDB-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001343443585 870430554 /nfs/dbraw/zinc/43/05/54/870430554.db2.gz AJKZGMOYHICKJY-CABCVRRESA-N 2 1 351.520 0.056 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(O)CCOCC3)CC2)CC1 ZINC001327084827 870658710 /nfs/dbraw/zinc/65/87/10/870658710.db2.gz NUPONSOETMUFFV-UHFFFAOYSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)CC1 ZINC001328525366 871481363 /nfs/dbraw/zinc/48/13/63/871481363.db2.gz QRVFCQQVARBBRW-MRXNPFEDSA-N 2 1 368.547 0.830 20 0 FCADMP C[C@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C[NH+]1CCCCC1 ZINC001346775458 871996258 /nfs/dbraw/zinc/99/62/58/871996258.db2.gz RDRWYNRQWFHEBS-MRXNPFEDSA-N 2 1 354.495 0.856 20 0 FCADMP C[C@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)C[NH+]1CCCCC1 ZINC001346775458 871996264 /nfs/dbraw/zinc/99/62/64/871996264.db2.gz RDRWYNRQWFHEBS-MRXNPFEDSA-N 2 1 354.495 0.856 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)CC[NH2+]CC2 ZINC001348950890 872834238 /nfs/dbraw/zinc/83/42/38/872834238.db2.gz GSOLRFYIOJGNMI-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC001331129008 872972765 /nfs/dbraw/zinc/97/27/65/872972765.db2.gz ZVTFSSPTFMOQMF-JONQDZQNSA-N 2 1 354.495 0.093 20 0 FCADMP C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001331330989 873064426 /nfs/dbraw/zinc/06/44/26/873064426.db2.gz UXVKFHOBCXTIPR-OIISXLGYSA-N 2 1 367.515 0.775 20 0 FCADMP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001331623047 873166590 /nfs/dbraw/zinc/16/65/90/873166590.db2.gz AVFLIVXEZBKKMV-HLLBOEOZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001331623047 873166596 /nfs/dbraw/zinc/16/65/96/873166596.db2.gz AVFLIVXEZBKKMV-HLLBOEOZSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332684 873459831 /nfs/dbraw/zinc/45/98/31/873459831.db2.gz SNBAOXIKCLOLFB-LUKYLMHMSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001332332686 873460198 /nfs/dbraw/zinc/46/01/98/873460198.db2.gz SNBAOXIKCLOLFB-VQHPVUNQSA-N 2 1 350.507 0.953 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)[C@@H]1CCC[NH2+]1 ZINC001332414889 873498083 /nfs/dbraw/zinc/49/80/83/873498083.db2.gz FATLDNHUHILKIK-JYJNAYRXSA-N 2 1 357.520 0.391 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1)[C@@H]1CCC[NH2+]1 ZINC001332414890 873498169 /nfs/dbraw/zinc/49/81/69/873498169.db2.gz FATLDNHUHILKIK-XHSDSOJGSA-N 2 1 357.520 0.391 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574925759 948977669 /nfs/dbraw/zinc/97/76/69/948977669.db2.gz DECKFGAQHOEWOS-LLVKDONJSA-N 2 1 351.480 0.863 20 0 FCADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926255 948990368 /nfs/dbraw/zinc/99/03/68/948990368.db2.gz LXMXHIPUCDXLGL-LBPRGKRZSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926390 948997920 /nfs/dbraw/zinc/99/79/20/948997920.db2.gz PCOMEJMWCFJRDR-AWEZNQCLSA-N 2 1 357.462 0.899 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709215 949502648 /nfs/dbraw/zinc/50/26/48/949502648.db2.gz YNDDEZGKWPKJQF-XJKSGUPXSA-N 2 1 372.477 0.815 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713101 949593507 /nfs/dbraw/zinc/59/35/07/949593507.db2.gz VYDRWWMHNCWHNE-BBRMVZONSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957205 949604374 /nfs/dbraw/zinc/60/43/74/949604374.db2.gz SMIPSXSDGIVFQW-YNEHKIRRSA-N 2 1 358.450 0.543 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196487 950365507 /nfs/dbraw/zinc/36/55/07/950365507.db2.gz FKCQUSKKIROLEW-OLZOCXBDSA-N 2 1 356.434 0.038 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197173 950385214 /nfs/dbraw/zinc/38/52/14/950385214.db2.gz LGUCMJFFUCTGJZ-KBPBESRZSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001570973398 950386810 /nfs/dbraw/zinc/38/68/10/950386810.db2.gz CDPQIRZBLHXQPR-MLGOLLRUSA-N 2 1 355.446 0.507 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576206220 950568039 /nfs/dbraw/zinc/56/80/39/950568039.db2.gz VQFPBAMGYNIMTL-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208949 950622531 /nfs/dbraw/zinc/62/25/31/950622531.db2.gz VRELADLUFGUOGL-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208949 950622542 /nfs/dbraw/zinc/62/25/42/950622542.db2.gz VRELADLUFGUOGL-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576208949 950622557 /nfs/dbraw/zinc/62/25/57/950622557.db2.gz VRELADLUFGUOGL-AWEZNQCLSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571037439 951627765 /nfs/dbraw/zinc/62/77/65/951627765.db2.gz MVVIBGOPQQDEKE-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571037439 951627774 /nfs/dbraw/zinc/62/77/74/951627774.db2.gz MVVIBGOPQQDEKE-TWMKSMIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099023 951828046 /nfs/dbraw/zinc/82/80/46/951828046.db2.gz HEDLJSUBOADZRL-RYUDHWBXSA-N 2 1 363.491 0.722 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575110237 951938129 /nfs/dbraw/zinc/93/81/29/951938129.db2.gz YKKKCQSBZWCABD-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113767 951945482 /nfs/dbraw/zinc/94/54/82/951945482.db2.gz FXCYNMVULDIFAO-DZGCQCFKSA-N 2 1 357.462 0.660 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077787 952122075 /nfs/dbraw/zinc/12/20/75/952122075.db2.gz HECNORYRKLIDKT-OAHLLOKOSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078428 952129122 /nfs/dbraw/zinc/12/91/22/952129122.db2.gz QCSFAWPDZVQBHC-ZFWWWQNUSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078902 952136329 /nfs/dbraw/zinc/13/63/29/952136329.db2.gz XKIBFYDNTCFGCC-SNPRPXQTSA-N 2 1 370.461 0.748 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575146006 952189772 /nfs/dbraw/zinc/18/97/72/952189772.db2.gz FPIYUCRKQFCKPW-JHJVBQTASA-N 2 1 358.450 0.283 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575147777 952201291 /nfs/dbraw/zinc/20/12/91/952201291.db2.gz WAFLJENLOXSBIX-KBPBESRZSA-N 2 1 372.477 0.817 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105214 952390559 /nfs/dbraw/zinc/39/05/59/952390559.db2.gz KBUMCJQGMCVAOI-ZFWWWQNUSA-N 2 1 373.436 0.648 20 0 FCADMP COc1cc(C[NH+](CCO)CCCO)cc(C[N@@H+](CCO)CCCO)c1 ZINC000292666381 214115744 /nfs/dbraw/zinc/11/57/44/214115744.db2.gz QDMRFOURVWBPNX-UHFFFAOYSA-N 2 1 370.490 0.049 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1cc(Cl)cc(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000295272025 214287451 /nfs/dbraw/zinc/28/74/51/214287451.db2.gz ZHEBSXJRHFVXDC-HUUCEWRRSA-N 2 1 374.909 0.690 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cn2)C1 ZINC000291509071 214039791 /nfs/dbraw/zinc/03/97/91/214039791.db2.gz QDLYGVRYPOWQRP-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)nc2)C1 ZINC000291509071 214039793 /nfs/dbraw/zinc/03/97/93/214039793.db2.gz QDLYGVRYPOWQRP-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)nc2)C1 ZINC000291509071 214039794 /nfs/dbraw/zinc/03/97/94/214039794.db2.gz QDLYGVRYPOWQRP-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000297928368 214476187 /nfs/dbraw/zinc/47/61/87/214476187.db2.gz ZVLHYWFEPSEIHO-UHFFFAOYSA-N 2 1 353.467 0.077 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265829998 210228930 /nfs/dbraw/zinc/22/89/30/210228930.db2.gz DHEUBMITPRQBKN-UHFFFAOYSA-N 2 1 358.446 0.832 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472846 529861361 /nfs/dbraw/zinc/86/13/61/529861361.db2.gz SFUJYQUVFUXRQF-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410558162 529886388 /nfs/dbraw/zinc/88/63/88/529886388.db2.gz POAYTZMMIHLPHD-LJQANCHMSA-N 2 1 350.507 0.875 20 0 FCADMP CNC(=O)N[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888988 /nfs/dbraw/zinc/88/89/88/529888988.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 2 1 368.526 0.409 20 0 FCADMP CNC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888989 /nfs/dbraw/zinc/88/89/89/529888989.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 2 1 368.526 0.409 20 0 FCADMP CNC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888991 /nfs/dbraw/zinc/88/89/91/529888991.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 2 1 368.526 0.409 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410969933 529929697 /nfs/dbraw/zinc/92/96/97/529929697.db2.gz FXMYWOUPOCFVLA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410969933 529929698 /nfs/dbraw/zinc/92/96/98/529929698.db2.gz FXMYWOUPOCFVLA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410969933 529929699 /nfs/dbraw/zinc/92/96/99/529929699.db2.gz FXMYWOUPOCFVLA-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP COC[C@H](C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265418006 210131054 /nfs/dbraw/zinc/13/10/54/210131054.db2.gz OYCNNQJBSPCOAQ-HNNXBMFYSA-N 2 1 356.492 0.548 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752926 674055686 /nfs/dbraw/zinc/05/56/86/674055686.db2.gz XPRFHLTWCRMHOG-RTBURBONSA-N 2 1 355.523 0.381 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCCC1 ZINC000331480408 215002913 /nfs/dbraw/zinc/00/29/13/215002913.db2.gz HWOWFMBVXKBNQL-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000331482547 215003294 /nfs/dbraw/zinc/00/32/94/215003294.db2.gz BAJVAFQRKZRTRJ-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000331484360 215003538 /nfs/dbraw/zinc/00/35/38/215003538.db2.gz UPJFWOUYHPOVPW-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331460418 215000313 /nfs/dbraw/zinc/00/03/13/215000313.db2.gz YWTWRAIHPVUPTQ-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331466921 215000958 /nfs/dbraw/zinc/00/09/58/215000958.db2.gz VKKBATPNCCWSRO-XAJHFOFHSA-N 2 1 350.507 0.809 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331502408 215005547 /nfs/dbraw/zinc/00/55/47/215005547.db2.gz QZZVBPDJKZDSDB-ULQDDVLXSA-N 2 1 350.507 0.776 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000331526710 215010533 /nfs/dbraw/zinc/01/05/33/215010533.db2.gz GPMQCVCWNYLNDC-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000331526710 215010537 /nfs/dbraw/zinc/01/05/37/215010537.db2.gz GPMQCVCWNYLNDC-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC[C@@H]21 ZINC000331550786 215012581 /nfs/dbraw/zinc/01/25/81/215012581.db2.gz JGTFFAHAWXLZNJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331550786 215012584 /nfs/dbraw/zinc/01/25/84/215012584.db2.gz JGTFFAHAWXLZNJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000331550786 215012587 /nfs/dbraw/zinc/01/25/87/215012587.db2.gz JGTFFAHAWXLZNJ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000331590622 215019812 /nfs/dbraw/zinc/01/98/12/215019812.db2.gz YGWYELDJCOSBNB-YVSFHVDLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331590622 215019816 /nfs/dbraw/zinc/01/98/16/215019816.db2.gz YGWYELDJCOSBNB-YVSFHVDLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331590622 215019818 /nfs/dbraw/zinc/01/98/18/215019818.db2.gz YGWYELDJCOSBNB-YVSFHVDLSA-N 2 1 350.507 0.776 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331690015 215034762 /nfs/dbraw/zinc/03/47/62/215034762.db2.gz UQDGLIQSEKPZRY-YVSFHVDLSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331690015 215034763 /nfs/dbraw/zinc/03/47/63/215034763.db2.gz UQDGLIQSEKPZRY-YVSFHVDLSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)[N@H+](C)C1 ZINC000331690015 215034765 /nfs/dbraw/zinc/03/47/65/215034765.db2.gz UQDGLIQSEKPZRY-YVSFHVDLSA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)[N@@H+](C)C1 ZINC000331690015 215034771 /nfs/dbraw/zinc/03/47/71/215034771.db2.gz UQDGLIQSEKPZRY-YVSFHVDLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000331930337 215069008 /nfs/dbraw/zinc/06/90/08/215069008.db2.gz DTLOQDOANJHDFC-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000331999922 215077707 /nfs/dbraw/zinc/07/77/07/215077707.db2.gz BOJKFZRQICKRHR-ZNMIVQPWSA-N 2 1 352.479 0.084 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000332062107 215086771 /nfs/dbraw/zinc/08/67/71/215086771.db2.gz PYVPATCDDMJPQV-DLBZAZTESA-N 2 1 373.501 0.837 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000332062107 215086774 /nfs/dbraw/zinc/08/67/74/215086774.db2.gz PYVPATCDDMJPQV-DLBZAZTESA-N 2 1 373.501 0.837 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332273711 215120744 /nfs/dbraw/zinc/12/07/44/215120744.db2.gz GNJZWZXWLNYFFP-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332273711 215120746 /nfs/dbraw/zinc/12/07/46/215120746.db2.gz GNJZWZXWLNYFFP-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248954 215116003 /nfs/dbraw/zinc/11/60/03/215116003.db2.gz CBPMACIADSIEGK-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000332293317 215124148 /nfs/dbraw/zinc/12/41/48/215124148.db2.gz NSTNODSHKDHNLU-HPFXQQBRSA-N 2 1 358.486 0.913 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000332293317 215124151 /nfs/dbraw/zinc/12/41/51/215124151.db2.gz NSTNODSHKDHNLU-HPFXQQBRSA-N 2 1 358.486 0.913 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H](C)C1 ZINC000332343403 215133778 /nfs/dbraw/zinc/13/37/78/215133778.db2.gz SOIJRXKNFTURDZ-XAJHFOFHSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000332519923 215165521 /nfs/dbraw/zinc/16/55/21/215165521.db2.gz BTNJRHWALGRQBN-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419160569 535076098 /nfs/dbraw/zinc/07/60/98/535076098.db2.gz ZKYGAZHLTFUISC-INIZCTEOSA-N 2 1 352.523 0.977 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000333046342 215228353 /nfs/dbraw/zinc/22/83/53/215228353.db2.gz KMTXGPHPHLQSAT-UHFFFAOYSA-N 2 1 354.495 0.463 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333131719 215239846 /nfs/dbraw/zinc/23/98/46/215239846.db2.gz BUJCQJDALDBQBB-KZNAEPCWSA-N 2 1 372.517 0.843 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333128699 215239948 /nfs/dbraw/zinc/23/99/48/215239948.db2.gz BJWNYUUGYJRHIY-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333128699 215239951 /nfs/dbraw/zinc/23/99/51/215239951.db2.gz BJWNYUUGYJRHIY-CVEARBPZSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@H]21 ZINC000333258749 215255954 /nfs/dbraw/zinc/25/59/54/215255954.db2.gz DOSBWVNNXMWMDM-GOEBONIOSA-N 2 1 359.478 0.834 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214700 215251650 /nfs/dbraw/zinc/25/16/50/215251650.db2.gz CGMQWCLJQRTPNJ-UMVBOHGHSA-N 2 1 353.467 0.489 20 0 FCADMP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000333383477 215273548 /nfs/dbraw/zinc/27/35/48/215273548.db2.gz NUWYJFGCQQXXQV-HOTGVXAUSA-N 2 1 356.536 0.963 20 0 FCADMP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000333383482 215274046 /nfs/dbraw/zinc/27/40/46/215274046.db2.gz NUWYJFGCQQXXQV-JKSUJKDBSA-N 2 1 356.536 0.963 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333431754 215281258 /nfs/dbraw/zinc/28/12/58/215281258.db2.gz USKITLNCPOXEJB-INIZCTEOSA-N 2 1 360.506 0.986 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000333492686 215288208 /nfs/dbraw/zinc/28/82/08/215288208.db2.gz VCYJGKJPDWIDRK-HOTGVXAUSA-N 2 1 374.489 0.709 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000333676007 215308050 /nfs/dbraw/zinc/30/80/50/215308050.db2.gz NYEPDMCTIVRBEK-HZSPNIEDSA-N 2 1 365.444 0.947 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333765821 215317624 /nfs/dbraw/zinc/31/76/24/215317624.db2.gz QGDGIMGLEDRJOF-IAGOWNOFSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333765821 215317628 /nfs/dbraw/zinc/31/76/28/215317628.db2.gz QGDGIMGLEDRJOF-IAGOWNOFSA-N 2 1 366.506 0.794 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333789763 215318894 /nfs/dbraw/zinc/31/88/94/215318894.db2.gz FZNYLTOHWLZRAK-HNNXBMFYSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)CC1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000333802981 215320499 /nfs/dbraw/zinc/32/04/99/215320499.db2.gz OJEUXNBOROFUKG-INIZCTEOSA-N 2 1 365.522 0.714 20 0 FCADMP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCCC1 ZINC000333816655 215321721 /nfs/dbraw/zinc/32/17/21/215321721.db2.gz KEPYNNYFYMEATR-CVEARBPZSA-N 2 1 351.495 0.500 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000333864654 215326500 /nfs/dbraw/zinc/32/65/00/215326500.db2.gz SSSHUBYTDZEPMO-IAGOWNOFSA-N 2 1 353.511 0.032 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000333909960 215329541 /nfs/dbraw/zinc/32/95/41/215329541.db2.gz LACUZAADYUOCFK-QGZVFWFLSA-N 2 1 359.474 0.707 20 0 FCADMP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333943272 215332931 /nfs/dbraw/zinc/33/29/31/215332931.db2.gz QVUGQJRBOZJISI-MRXNPFEDSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C)[N@@H+]1CCO ZINC000334000376 215336150 /nfs/dbraw/zinc/33/61/50/215336150.db2.gz RELUAWDGGFHNBM-ATLSCFEFSA-N 2 1 368.522 0.461 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000285656328 213373019 /nfs/dbraw/zinc/37/30/19/213373019.db2.gz VYOBFTMLVBJYLQ-ZDUSSCGKSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000285656328 213373021 /nfs/dbraw/zinc/37/30/21/213373021.db2.gz VYOBFTMLVBJYLQ-ZDUSSCGKSA-N 2 1 370.457 0.791 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545931 213356554 /nfs/dbraw/zinc/35/65/54/213356554.db2.gz IFEONXSMHZRTJB-WMLDXEAASA-N 2 1 371.485 0.897 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000361155465 215382553 /nfs/dbraw/zinc/38/25/53/215382553.db2.gz WMJUOYSTSNRQEM-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000285364057 213330543 /nfs/dbraw/zinc/33/05/43/213330543.db2.gz ZAYLUIRYKJJGGG-KRWDZBQOSA-N 2 1 360.502 0.876 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285206232 213301786 /nfs/dbraw/zinc/30/17/86/213301786.db2.gz VYJUNGZXELJDKH-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285206232 213301789 /nfs/dbraw/zinc/30/17/89/213301789.db2.gz VYJUNGZXELJDKH-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285206232 213301793 /nfs/dbraw/zinc/30/17/93/213301793.db2.gz VYJUNGZXELJDKH-UHFFFAOYSA-N 2 1 364.490 0.319 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000285143075 213291305 /nfs/dbraw/zinc/29/13/05/213291305.db2.gz SQHRNNCAIRDPIN-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000285143075 213291307 /nfs/dbraw/zinc/29/13/07/213291307.db2.gz SQHRNNCAIRDPIN-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000285143075 213291310 /nfs/dbraw/zinc/29/13/10/213291310.db2.gz SQHRNNCAIRDPIN-SFHVURJKSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000284833586 213230298 /nfs/dbraw/zinc/23/02/98/213230298.db2.gz MSOFWISUKCGOOI-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284516082 213158146 /nfs/dbraw/zinc/15/81/46/213158146.db2.gz SWTAVMGYDJWQOQ-HUUCEWRRSA-N 2 1 350.463 0.799 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284516082 213158150 /nfs/dbraw/zinc/15/81/50/213158150.db2.gz SWTAVMGYDJWQOQ-HUUCEWRRSA-N 2 1 350.463 0.799 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000284399857 213129950 /nfs/dbraw/zinc/12/99/50/213129950.db2.gz ATBDLMFOEPGION-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000284399857 213129954 /nfs/dbraw/zinc/12/99/54/213129954.db2.gz ATBDLMFOEPGION-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000284399857 213129958 /nfs/dbraw/zinc/12/99/58/213129958.db2.gz ATBDLMFOEPGION-HDICACEKSA-N 2 1 370.497 0.787 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284356408 213119150 /nfs/dbraw/zinc/11/91/50/213119150.db2.gz KZBFGUVNSKBBOV-LSDHHAIUSA-N 2 1 350.463 0.989 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284356408 213119153 /nfs/dbraw/zinc/11/91/53/213119153.db2.gz KZBFGUVNSKBBOV-LSDHHAIUSA-N 2 1 350.463 0.989 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000284099811 213073712 /nfs/dbraw/zinc/07/37/12/213073712.db2.gz OIZUIMLLTUDGAV-UHFFFAOYSA-N 2 1 353.467 0.172 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000284099811 213073715 /nfs/dbraw/zinc/07/37/15/213073715.db2.gz OIZUIMLLTUDGAV-UHFFFAOYSA-N 2 1 353.467 0.172 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893168 213029992 /nfs/dbraw/zinc/02/99/92/213029992.db2.gz CUSOLYGSDPDXEI-VQIMIIECSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893168 213029996 /nfs/dbraw/zinc/02/99/96/213029996.db2.gz CUSOLYGSDPDXEI-VQIMIIECSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283893168 213029998 /nfs/dbraw/zinc/02/99/98/213029998.db2.gz CUSOLYGSDPDXEI-VQIMIIECSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283893168 213030001 /nfs/dbraw/zinc/03/00/01/213030001.db2.gz CUSOLYGSDPDXEI-VQIMIIECSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000413443874 237337784 /nfs/dbraw/zinc/33/77/84/237337784.db2.gz RNPBCZFYSZVBJU-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367050148 216068717 /nfs/dbraw/zinc/06/87/17/216068717.db2.gz MNLXUIWZRICJBL-SFHVURJKSA-N 2 1 372.579 0.902 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367186843 216089024 /nfs/dbraw/zinc/08/90/24/216089024.db2.gz PZDFPLHMJMFMEB-QZTJIDSGSA-N 2 1 369.554 0.622 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367195233 216090186 /nfs/dbraw/zinc/09/01/86/216090186.db2.gz HUOVYOKJKQCTMD-IRXDYDNUSA-N 2 1 355.527 0.232 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000246619858 209392997 /nfs/dbraw/zinc/39/29/97/209392997.db2.gz FBLKFSBBCGZASQ-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000246619858 209393001 /nfs/dbraw/zinc/39/30/01/209393001.db2.gz FBLKFSBBCGZASQ-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000246619858 209393007 /nfs/dbraw/zinc/39/30/07/209393007.db2.gz FBLKFSBBCGZASQ-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617129 209392277 /nfs/dbraw/zinc/39/22/77/209392277.db2.gz MFFODABXOFVUIK-ROUUACIJSA-N 2 1 368.522 0.851 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000246509019 209391347 /nfs/dbraw/zinc/39/13/47/209391347.db2.gz UNPVSUHUVNOWEP-YESZJQIVSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246509019 209391349 /nfs/dbraw/zinc/39/13/49/209391349.db2.gz UNPVSUHUVNOWEP-YESZJQIVSA-N 2 1 356.511 0.848 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410993 209387425 /nfs/dbraw/zinc/38/74/25/209387425.db2.gz BMQMQCGGNYEUEH-OFQRWUPVSA-N 2 1 352.479 0.796 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)CN1CC[NH+](C)CC1 ZINC000245883977 209376830 /nfs/dbraw/zinc/37/68/30/209376830.db2.gz BLJBTMDFMAQAFD-FGTMMUONSA-N 2 1 351.539 0.996 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000238012242 209361910 /nfs/dbraw/zinc/36/19/10/209361910.db2.gz KMCRSWCKFZVSMQ-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP Cn1cc([C@H]2C[N@@H+](CCn3ccnc3)CCN2CCn2ccnc2)cn1 ZINC000368267312 216225340 /nfs/dbraw/zinc/22/53/40/216225340.db2.gz ZSLAPZXMCGAGKO-GOSISDBHSA-N 2 1 354.462 0.872 20 0 FCADMP CS(=O)(=O)CC[C@@H](N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000237323301 209351436 /nfs/dbraw/zinc/35/14/36/209351436.db2.gz WVMNUNOBVKXKSX-IAGOWNOFSA-N 2 1 367.515 0.919 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000237174242 209349517 /nfs/dbraw/zinc/34/95/17/209349517.db2.gz RJEHXKPDWMKLRY-INIZCTEOSA-N 2 1 366.487 0.703 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000237174242 209349519 /nfs/dbraw/zinc/34/95/19/209349519.db2.gz RJEHXKPDWMKLRY-INIZCTEOSA-N 2 1 366.487 0.703 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000237153612 209347425 /nfs/dbraw/zinc/34/74/25/209347425.db2.gz TZBHVCAWDRRMQY-UHFFFAOYSA-N 2 1 372.513 0.977 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237029991 209346314 /nfs/dbraw/zinc/34/63/14/209346314.db2.gz OSBCEYZVDAKJCN-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237029991 209346316 /nfs/dbraw/zinc/34/63/16/209346316.db2.gz OSBCEYZVDAKJCN-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP CC[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000368441293 216248139 /nfs/dbraw/zinc/24/81/39/216248139.db2.gz CBZRHCLFJBROLO-FQEVSTJZSA-N 2 1 358.486 0.837 20 0 FCADMP CC[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000368441294 216248546 /nfs/dbraw/zinc/24/85/46/216248546.db2.gz CBZRHCLFJBROLO-HXUWFJFHSA-N 2 1 358.486 0.837 20 0 FCADMP CC(C)[NH+]1CCN(CCCN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000192760608 209305801 /nfs/dbraw/zinc/30/58/01/209305801.db2.gz CLBBTGJJOZEKHM-LJQANCHMSA-N 2 1 365.566 0.641 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1CC(C)(C)O ZINC000368704759 216285355 /nfs/dbraw/zinc/28/53/55/216285355.db2.gz UNBDIPBXQRHAFG-OWCLPIDISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704759 216285361 /nfs/dbraw/zinc/28/53/61/216285361.db2.gz UNBDIPBXQRHAFG-OWCLPIDISA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704759 216285363 /nfs/dbraw/zinc/28/53/63/216285363.db2.gz UNBDIPBXQRHAFG-OWCLPIDISA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369050424 216339853 /nfs/dbraw/zinc/33/98/53/216339853.db2.gz GZXBNKGZYAPORT-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369050424 216339856 /nfs/dbraw/zinc/33/98/56/216339856.db2.gz GZXBNKGZYAPORT-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369050424 216339859 /nfs/dbraw/zinc/33/98/59/216339859.db2.gz GZXBNKGZYAPORT-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369344298 216386661 /nfs/dbraw/zinc/38/66/61/216386661.db2.gz PMOUNMZSFZRSKE-XDNAFOTISA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344298 216386664 /nfs/dbraw/zinc/38/66/64/216386664.db2.gz PMOUNMZSFZRSKE-XDNAFOTISA-N 2 1 352.523 0.770 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369344298 216386667 /nfs/dbraw/zinc/38/66/67/216386667.db2.gz PMOUNMZSFZRSKE-XDNAFOTISA-N 2 1 352.523 0.770 20 0 FCADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000369400614 216396046 /nfs/dbraw/zinc/39/60/46/216396046.db2.gz IEWFTDQHDGKLEO-GOSISDBHSA-N 2 1 369.554 0.811 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396372 216396549 /nfs/dbraw/zinc/39/65/49/216396549.db2.gz XBYPAEXKVKXDTN-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369396372 216396551 /nfs/dbraw/zinc/39/65/51/216396551.db2.gz XBYPAEXKVKXDTN-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369396372 216396553 /nfs/dbraw/zinc/39/65/53/216396553.db2.gz XBYPAEXKVKXDTN-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000188945753 209242810 /nfs/dbraw/zinc/24/28/10/209242810.db2.gz MMCFDDPBRRJGLV-IAGOWNOFSA-N 2 1 369.554 0.357 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188799178 209238570 /nfs/dbraw/zinc/23/85/70/209238570.db2.gz WNNPCSDURJDDAR-HNNXBMFYSA-N 2 1 368.485 0.996 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000188586763 209233819 /nfs/dbraw/zinc/23/38/19/209233819.db2.gz HCXZXKNZVYUBAM-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP CCS(=O)(=O)NCCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188286637 209227216 /nfs/dbraw/zinc/22/72/16/209227216.db2.gz FWSGSJPPSHPNPU-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286637 209227218 /nfs/dbraw/zinc/22/72/18/209227218.db2.gz FWSGSJPPSHPNPU-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP CCS(=O)(=O)NCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286637 209227223 /nfs/dbraw/zinc/22/72/23/209227223.db2.gz FWSGSJPPSHPNPU-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000188181055 209226440 /nfs/dbraw/zinc/22/64/40/209226440.db2.gz HZRNCABEHREWEY-UYAOXDASSA-N 2 1 361.486 0.803 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000188181055 209226444 /nfs/dbraw/zinc/22/64/44/209226444.db2.gz HZRNCABEHREWEY-UYAOXDASSA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000188181055 209226447 /nfs/dbraw/zinc/22/64/47/209226447.db2.gz HZRNCABEHREWEY-UYAOXDASSA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000188181055 209226450 /nfs/dbraw/zinc/22/64/50/209226450.db2.gz HZRNCABEHREWEY-UYAOXDASSA-N 2 1 361.486 0.803 20 0 FCADMP C[C@H](O)C[NH+](Cc1ccccc1C[N@H+](C[C@H](C)O)[C@@H](C)CO)[C@@H](C)CO ZINC000276216399 212188869 /nfs/dbraw/zinc/18/88/69/212188869.db2.gz PSPSBSZLYZIIIR-XSLAGTTESA-N 2 1 368.518 0.814 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430708 674114452 /nfs/dbraw/zinc/11/44/52/674114452.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931430708 674114454 /nfs/dbraw/zinc/11/44/54/674114454.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 2 1 352.523 0.343 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931430708 674114457 /nfs/dbraw/zinc/11/44/57/674114457.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 2 1 352.523 0.343 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000275518348 212041838 /nfs/dbraw/zinc/04/18/38/212041838.db2.gz DSJBEQJSUALPCV-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000373272056 217002705 /nfs/dbraw/zinc/00/27/05/217002705.db2.gz SINAYUGPAMVCGA-INIZCTEOSA-N 2 1 368.522 0.992 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414971153 245339616 /nfs/dbraw/zinc/33/96/16/245339616.db2.gz HOXHHFLHDVVYPT-KBPBESRZSA-N 2 1 350.463 0.914 20 0 FCADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000415183830 245356275 /nfs/dbraw/zinc/35/62/75/245356275.db2.gz JJWWQOHTTRXRIU-HNNXBMFYSA-N 2 1 362.474 0.650 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@@H+]1C ZINC000415177801 245356570 /nfs/dbraw/zinc/35/65/70/245356570.db2.gz RINKKQBIHSRKOV-MRXNPFEDSA-N 2 1 360.458 0.906 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@H+]1C ZINC000415177801 245356574 /nfs/dbraw/zinc/35/65/74/245356574.db2.gz RINKKQBIHSRKOV-MRXNPFEDSA-N 2 1 360.458 0.906 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415315153 245385344 /nfs/dbraw/zinc/38/53/44/245385344.db2.gz LGLJPDKVQNJRJV-KRWDZBQOSA-N 2 1 360.458 0.368 20 0 FCADMP COC(=O)CNC(=O)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373514441 217027413 /nfs/dbraw/zinc/02/74/13/217027413.db2.gz GQTMXXMOZCPDJL-LJQANCHMSA-N 2 1 363.458 0.235 20 0 FCADMP COC(=O)CNC(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373514441 217027416 /nfs/dbraw/zinc/02/74/16/217027416.db2.gz GQTMXXMOZCPDJL-LJQANCHMSA-N 2 1 363.458 0.235 20 0 FCADMP COC(=O)CNC(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373514441 217027418 /nfs/dbraw/zinc/02/74/18/217027418.db2.gz GQTMXXMOZCPDJL-LJQANCHMSA-N 2 1 363.458 0.235 20 0 FCADMP COC(=O)CNC(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373514441 217027421 /nfs/dbraw/zinc/02/74/21/217027421.db2.gz GQTMXXMOZCPDJL-LJQANCHMSA-N 2 1 363.458 0.235 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC1=O ZINC000374918551 217189450 /nfs/dbraw/zinc/18/94/50/217189450.db2.gz SJNCZQOETVMBIZ-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1=O ZINC000374918551 217189454 /nfs/dbraw/zinc/18/94/54/217189454.db2.gz SJNCZQOETVMBIZ-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000374918551 217189459 /nfs/dbraw/zinc/18/94/59/217189459.db2.gz SJNCZQOETVMBIZ-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182897918 209138377 /nfs/dbraw/zinc/13/83/77/209138377.db2.gz ZQGSLPYNDVMONX-HKUYNNGSSA-N 2 1 364.490 0.365 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000375475594 217270053 /nfs/dbraw/zinc/27/00/53/217270053.db2.gz XBMPUEIGKNEYQF-KSZLIROESA-N 2 1 352.523 0.772 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000375475600 217270352 /nfs/dbraw/zinc/27/03/52/217270352.db2.gz XBMPUEIGKNEYQF-RCCFBDPRSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419063625 245967727 /nfs/dbraw/zinc/96/77/27/245967727.db2.gz HTLCETKFCHJAQR-OAGGEKHMSA-N 2 1 370.538 0.822 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419126287 246001540 /nfs/dbraw/zinc/00/15/40/246001540.db2.gz MHXHLOAPBXHHHB-OAHLLOKOSA-N 2 1 355.527 0.008 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419129800 246004413 /nfs/dbraw/zinc/00/44/13/246004413.db2.gz YNVNDTLOVHLLLL-JKSUJKDBSA-N 2 1 355.527 0.008 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158810 246024384 /nfs/dbraw/zinc/02/43/84/246024384.db2.gz YIZOERTWGDQOKX-KBPBESRZSA-N 2 1 352.504 0.930 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158031 246024656 /nfs/dbraw/zinc/02/46/56/246024656.db2.gz XEKWCAYUWWMDMY-UONOGXRCSA-N 2 1 352.504 0.882 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419133036 246007789 /nfs/dbraw/zinc/00/77/89/246007789.db2.gz IHDRNMKDKYZFHV-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)[nH+]1 ZINC000419135887 246009481 /nfs/dbraw/zinc/00/94/81/246009481.db2.gz OBTAEIYWMFPUIC-HUUCEWRRSA-N 2 1 359.474 0.684 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419145813 246015267 /nfs/dbraw/zinc/01/52/67/246015267.db2.gz AOZKAXRBCQUBRM-QRVBRYPASA-N 2 1 370.497 0.488 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148570 246016753 /nfs/dbraw/zinc/01/67/53/246016753.db2.gz DJRRWCDKNHEYNX-AEFFLSMTSA-N 2 1 358.486 0.488 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000419150187 246016876 /nfs/dbraw/zinc/01/68/76/246016876.db2.gz KWJMXCVWINSCJA-BRWVUGGUSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419148576 246017184 /nfs/dbraw/zinc/01/71/84/246017184.db2.gz DJRRWCDKNHEYNX-WMZOPIPTSA-N 2 1 358.486 0.488 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419167959 246030733 /nfs/dbraw/zinc/03/07/33/246030733.db2.gz JYNQCAPYGONCDA-KKUMJFAQSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186899 246041434 /nfs/dbraw/zinc/04/14/34/246041434.db2.gz FIZCEWNCSNSRGG-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000419187714 246042074 /nfs/dbraw/zinc/04/20/74/246042074.db2.gz FVSTYNBXBFGMNN-JQHSSLGASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000419228254 246067145 /nfs/dbraw/zinc/06/71/45/246067145.db2.gz GRCSFAWGEIWLOI-LZQZEXGQSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000419228254 246067148 /nfs/dbraw/zinc/06/71/48/246067148.db2.gz GRCSFAWGEIWLOI-LZQZEXGQSA-N 2 1 370.497 0.902 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212943 246057506 /nfs/dbraw/zinc/05/75/06/246057506.db2.gz VSBFUARATQCZSX-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212943 246057510 /nfs/dbraw/zinc/05/75/10/246057510.db2.gz VSBFUARATQCZSX-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419212615 246057582 /nfs/dbraw/zinc/05/75/82/246057582.db2.gz UWIVRXWFCQJPNQ-XLIONFOSSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419215004 246058656 /nfs/dbraw/zinc/05/86/56/246058656.db2.gz NQICFDNKDCQSCI-KRWDZBQOSA-N 2 1 362.474 0.248 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419222308 246062485 /nfs/dbraw/zinc/06/24/85/246062485.db2.gz BMVLPABTBAUPOS-OLMNPRSZSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226541 246064342 /nfs/dbraw/zinc/06/43/42/246064342.db2.gz JEUZHPCFCJYTIR-AITUJVMLSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224547 246064514 /nfs/dbraw/zinc/06/45/14/246064514.db2.gz FUUCNQFCYOZXJY-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419227199 246065429 /nfs/dbraw/zinc/06/54/29/246065429.db2.gz JYAJEOPLKWAQQZ-DLBZAZTESA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226543 246065458 /nfs/dbraw/zinc/06/54/58/246065458.db2.gz JEUZHPCFCJYTIR-OWYHZJEWSA-N 2 1 370.497 0.834 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419198612 246048775 /nfs/dbraw/zinc/04/87/75/246048775.db2.gz CVTUQDYPTBOGSP-WMZOPIPTSA-N 2 1 358.486 0.883 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)CCC(F)(F)F ZINC000419197327 246048792 /nfs/dbraw/zinc/04/87/92/246048792.db2.gz BOFSRLQVVJOSIE-ZDUSSCGKSA-N 2 1 366.428 0.964 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)CCC(F)(F)F ZINC000419197327 246048797 /nfs/dbraw/zinc/04/87/97/246048797.db2.gz BOFSRLQVVJOSIE-ZDUSSCGKSA-N 2 1 366.428 0.964 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)CCC(F)(F)F ZINC000419205899 246052266 /nfs/dbraw/zinc/05/22/66/246052266.db2.gz JPIPIZMKOIQEHK-UHFFFAOYSA-N 2 1 366.428 0.883 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)CCC(F)(F)F ZINC000419205899 246052273 /nfs/dbraw/zinc/05/22/73/246052273.db2.gz JPIPIZMKOIQEHK-UHFFFAOYSA-N 2 1 366.428 0.883 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419208016 246054381 /nfs/dbraw/zinc/05/43/81/246054381.db2.gz NQIDMTZBPZGVAI-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419207465 246054945 /nfs/dbraw/zinc/05/49/45/246054945.db2.gz MQGKAVLYOAJYEX-GFCCVEGCSA-N 2 1 352.401 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419207465 246054948 /nfs/dbraw/zinc/05/49/48/246054948.db2.gz MQGKAVLYOAJYEX-GFCCVEGCSA-N 2 1 352.401 0.717 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000419228252 246068633 /nfs/dbraw/zinc/06/86/33/246068633.db2.gz GQVJFORVYCHIDJ-LRVUVFPRSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000419228252 246068637 /nfs/dbraw/zinc/06/86/37/246068637.db2.gz GQVJFORVYCHIDJ-LRVUVFPRSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230834 246069427 /nfs/dbraw/zinc/06/94/27/246069427.db2.gz IYKIWJSFERRLOJ-OWCLPIDISA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230834 246069435 /nfs/dbraw/zinc/06/94/35/246069435.db2.gz IYKIWJSFERRLOJ-OWCLPIDISA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234944 246070076 /nfs/dbraw/zinc/07/00/76/246070076.db2.gz YEXFZEFTHKXXMI-BQFCYCMXSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419234395 246071273 /nfs/dbraw/zinc/07/12/73/246071273.db2.gz LXEMODYQDIQPDG-OLZOCXBDSA-N 2 1 350.488 0.418 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419234395 246071280 /nfs/dbraw/zinc/07/12/80/246071280.db2.gz LXEMODYQDIQPDG-OLZOCXBDSA-N 2 1 350.488 0.418 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419233992 246072308 /nfs/dbraw/zinc/07/23/08/246072308.db2.gz XCUPAUJDQRHRNF-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419246406 246076414 /nfs/dbraw/zinc/07/64/14/246076414.db2.gz WLOPYOZQCPLFRC-HIFRSBDPSA-N 2 1 364.515 0.821 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419246406 246076419 /nfs/dbraw/zinc/07/64/19/246076419.db2.gz WLOPYOZQCPLFRC-HIFRSBDPSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419250607 246076480 /nfs/dbraw/zinc/07/64/80/246076480.db2.gz ZGIAYXSGLDACNZ-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419250607 246076486 /nfs/dbraw/zinc/07/64/86/246076486.db2.gz ZGIAYXSGLDACNZ-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249261 246076635 /nfs/dbraw/zinc/07/66/35/246076635.db2.gz YLDRFBRHSNUALR-OLMNPRSZSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249261 246076641 /nfs/dbraw/zinc/07/66/41/246076641.db2.gz YLDRFBRHSNUALR-OLMNPRSZSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000419304638 246092593 /nfs/dbraw/zinc/09/25/93/246092593.db2.gz UXZBWOAWQQWVNW-BPQIPLTHSA-N 2 1 374.485 0.024 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)[nH+]c1 ZINC000419304625 246093099 /nfs/dbraw/zinc/09/30/99/246093099.db2.gz UXFRHIMXKDFKOA-ZBFHGGJFSA-N 2 1 359.474 0.589 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)[nH+]c1 ZINC000419304631 246093579 /nfs/dbraw/zinc/09/35/79/246093579.db2.gz UXQGATLMKFXMEV-ZBFHGGJFSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329506 246101917 /nfs/dbraw/zinc/10/19/17/246101917.db2.gz GPNPAAFLOHSXLU-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C[NH+]1CCOCC1 ZINC000419294634 246088977 /nfs/dbraw/zinc/08/89/77/246088977.db2.gz BUYWQWHHIYMGSJ-HOCLYGCPSA-N 2 1 354.495 0.095 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419416560 246148879 /nfs/dbraw/zinc/14/88/79/246148879.db2.gz WIJJIOXEHACVAX-SJORKVTESA-N 2 1 368.522 0.722 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419388382 246130841 /nfs/dbraw/zinc/13/08/41/246130841.db2.gz DMWZQICOOHHOMT-LULLPPNCSA-N 2 1 370.497 0.691 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000419395770 246131572 /nfs/dbraw/zinc/13/15/72/246131572.db2.gz RFAJJEHPMNVBHK-IPMKNSEASA-N 2 1 370.497 0.747 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000419395770 246131575 /nfs/dbraw/zinc/13/15/75/246131575.db2.gz RFAJJEHPMNVBHK-IPMKNSEASA-N 2 1 370.497 0.747 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419395749 246132474 /nfs/dbraw/zinc/13/24/74/246132474.db2.gz REUADJWVZPFEFE-INIZCTEOSA-N 2 1 358.486 0.619 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419395749 246132480 /nfs/dbraw/zinc/13/24/80/246132480.db2.gz REUADJWVZPFEFE-INIZCTEOSA-N 2 1 358.486 0.619 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419395372 246132814 /nfs/dbraw/zinc/13/28/14/246132814.db2.gz QOAPYLFLCLWYPT-CRAIPNDOSA-N 2 1 358.486 0.604 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419395372 246132819 /nfs/dbraw/zinc/13/28/19/246132819.db2.gz QOAPYLFLCLWYPT-CRAIPNDOSA-N 2 1 358.486 0.604 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419401978 246137743 /nfs/dbraw/zinc/13/77/43/246137743.db2.gz BRGDKTAZMPKQEA-HNNXBMFYSA-N 2 1 354.495 0.191 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000419407264 246139574 /nfs/dbraw/zinc/13/95/74/246139574.db2.gz JYLXNGTYDFLZJU-DTZQCDIJSA-N 2 1 364.515 0.971 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419407820 246141341 /nfs/dbraw/zinc/14/13/41/246141341.db2.gz LEIRFSBJEVZSFM-LJQANCHMSA-N 2 1 370.497 0.975 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000419408022 246141496 /nfs/dbraw/zinc/14/14/96/246141496.db2.gz LFMXBSLAXHLGHV-VVLHAWIVSA-N 2 1 352.523 0.914 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419420696 246154689 /nfs/dbraw/zinc/15/46/89/246154689.db2.gz KFUOQYQVRUDNFK-YJBOKZPZSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419427228 246157067 /nfs/dbraw/zinc/15/70/67/246157067.db2.gz RLTKBAVYXWTOGL-UHFFFAOYSA-N 2 1 354.401 0.261 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419427228 246157072 /nfs/dbraw/zinc/15/70/72/246157072.db2.gz RLTKBAVYXWTOGL-UHFFFAOYSA-N 2 1 354.401 0.261 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419447546 246166839 /nfs/dbraw/zinc/16/68/39/246166839.db2.gz HNFXXJHBLRYSHU-YJBOKZPZSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419448026 246167849 /nfs/dbraw/zinc/16/78/49/246167849.db2.gz IANCQFXKUVEMPD-INIZCTEOSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419418565 246153119 /nfs/dbraw/zinc/15/31/19/246153119.db2.gz IHNLIBIEPQAVRR-VQIMIIECSA-N 2 1 372.513 0.994 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419505263 246184012 /nfs/dbraw/zinc/18/40/12/246184012.db2.gz LKKACWYQEIYNFW-FUHWJXTLSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510337 246184828 /nfs/dbraw/zinc/18/48/28/246184828.db2.gz UCRMPAIXVGQPDL-IAGOWNOFSA-N 2 1 373.501 0.182 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419475855 246176843 /nfs/dbraw/zinc/17/68/43/246176843.db2.gz FNNWHGZHEBEGQM-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419474880 246177042 /nfs/dbraw/zinc/17/70/42/246177042.db2.gz CTMQCAYDUZQQAC-JYJNAYRXSA-N 2 1 368.522 0.986 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000419587721 246211372 /nfs/dbraw/zinc/21/13/72/246211372.db2.gz NSPOQMCPFXCYAC-COXVUDFISA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419534172 246195275 /nfs/dbraw/zinc/19/52/75/246195275.db2.gz PYAQFHZNDYJCCX-HGHGUNKESA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534745 246196199 /nfs/dbraw/zinc/19/61/99/246196199.db2.gz QQCRWQVYDLKEDC-NVXWUHKLSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419715903 246268482 /nfs/dbraw/zinc/26/84/82/246268482.db2.gz ZZDKUUFOXIHFCX-XLMAVXFVSA-N 2 1 358.486 0.974 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C1CCCC1 ZINC000419692811 246253686 /nfs/dbraw/zinc/25/36/86/246253686.db2.gz HQLXQZSRSKJAMZ-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419702401 246258507 /nfs/dbraw/zinc/25/85/07/246258507.db2.gz BSSGBTLXCZOHDO-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419703498 246259165 /nfs/dbraw/zinc/25/91/65/246259165.db2.gz DILMIXAIWMEDDX-SOLBZPMBSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702416 246259196 /nfs/dbraw/zinc/25/91/96/246259196.db2.gz BTOIKIMNMIOTEJ-OWYHZJEWSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000419703292 246259990 /nfs/dbraw/zinc/25/99/90/246259990.db2.gz DEBFMKGQMQUZAX-DDBAPUKQSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419709880 246263749 /nfs/dbraw/zinc/26/37/49/246263749.db2.gz PFTGGLLLNHBZDH-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755979 246287165 /nfs/dbraw/zinc/28/71/65/246287165.db2.gz ADRWVJJFQCIDCD-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C1CC1 ZINC000419761934 246288822 /nfs/dbraw/zinc/28/88/22/246288822.db2.gz LHCSDIJOCUJHGE-GOSISDBHSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760810 246289623 /nfs/dbraw/zinc/28/96/23/246289623.db2.gz OHNPWCDROOPMPC-CVEARBPZSA-N 2 1 350.438 0.760 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000419767388 246290452 /nfs/dbraw/zinc/29/04/52/246290452.db2.gz ZWXLNBSNBZVDME-HNNXBMFYSA-N 2 1 364.465 0.961 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000419778212 246294082 /nfs/dbraw/zinc/29/40/82/246294082.db2.gz OHANXDMOKLTSPR-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000419800473 246299155 /nfs/dbraw/zinc/29/91/55/246299155.db2.gz AIJSVPQRROTRCJ-HOTGVXAUSA-N 2 1 362.474 0.991 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419805362 246302050 /nfs/dbraw/zinc/30/20/50/246302050.db2.gz DLFKYVGPLCAQGK-LSDHHAIUSA-N 2 1 364.446 0.027 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802575 246302280 /nfs/dbraw/zinc/30/22/80/246302280.db2.gz LTKPNROGWZMYGZ-UHFFFAOYSA-N 2 1 367.538 0.249 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802575 246302286 /nfs/dbraw/zinc/30/22/86/246302286.db2.gz LTKPNROGWZMYGZ-UHFFFAOYSA-N 2 1 367.538 0.249 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419805355 246302451 /nfs/dbraw/zinc/30/24/51/246302451.db2.gz DLFKYVGPLCAQGK-CABCVRRESA-N 2 1 364.446 0.027 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419832239 246310486 /nfs/dbraw/zinc/31/04/86/246310486.db2.gz VOQBURQKQAKFGC-RKVPGOIHSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419841689 246315829 /nfs/dbraw/zinc/31/58/29/246315829.db2.gz KOLPHGASOIAYRE-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419844374 246316699 /nfs/dbraw/zinc/31/66/99/246316699.db2.gz OAGRAZGFCWOCLI-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419844373 246317358 /nfs/dbraw/zinc/31/73/58/246317358.db2.gz OAGRAZGFCWOCLI-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419850718 246321372 /nfs/dbraw/zinc/32/13/72/246321372.db2.gz MJANIJBGIHIUMV-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000419869196 246336864 /nfs/dbraw/zinc/33/68/64/246336864.db2.gz JHOYQZLVGPMVFN-GPANFISMSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000419869196 246336870 /nfs/dbraw/zinc/33/68/70/246336870.db2.gz JHOYQZLVGPMVFN-GPANFISMSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000419923241 246371929 /nfs/dbraw/zinc/37/19/29/246371929.db2.gz GHDSKTZZVZVMEI-YJBOKZPZSA-N 2 1 374.485 0.514 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419927369 246372939 /nfs/dbraw/zinc/37/29/39/246372939.db2.gz QUXASKOIXLMBOF-NRFANRHFSA-N 2 1 370.497 0.837 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419886544 246352661 /nfs/dbraw/zinc/35/26/61/246352661.db2.gz PSNALMWKLSOJFS-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419886544 246352666 /nfs/dbraw/zinc/35/26/66/246352666.db2.gz PSNALMWKLSOJFS-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419893945 246355530 /nfs/dbraw/zinc/35/55/30/246355530.db2.gz MZTPJFBHEOWQSS-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419963053 246391436 /nfs/dbraw/zinc/39/14/36/246391436.db2.gz YJRPXJYPGKFERE-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419999756 246409932 /nfs/dbraw/zinc/40/99/32/246409932.db2.gz SLNSXGBHVLAJEE-DOTOQJQBSA-N 2 1 361.490 0.748 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420185116 246517934 /nfs/dbraw/zinc/51/79/34/246517934.db2.gz JKNLWUJUAUVLHL-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000420187042 246518599 /nfs/dbraw/zinc/51/85/99/246518599.db2.gz LPKQEAJJAAOKAA-QZTJIDSGSA-N 2 1 358.486 0.617 20 0 FCADMP CC1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[NH2+]C1 ZINC000423343225 247009806 /nfs/dbraw/zinc/00/98/06/247009806.db2.gz ZQHVRDACYZEERG-UHFFFAOYSA-N 2 1 360.458 0.573 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423364400 247013288 /nfs/dbraw/zinc/01/32/88/247013288.db2.gz AOCIBYCPSARUHB-RYRKJORJSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423364400 247013292 /nfs/dbraw/zinc/01/32/92/247013292.db2.gz AOCIBYCPSARUHB-RYRKJORJSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000423372355 247014313 /nfs/dbraw/zinc/01/43/13/247014313.db2.gz BFFMICIWZJAVJX-NVXWUHKLSA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423385066 247017439 /nfs/dbraw/zinc/01/74/39/247017439.db2.gz LLFUCVLRVHNOKY-SOLBZPMBSA-N 2 1 374.485 0.294 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423385066 247017442 /nfs/dbraw/zinc/01/74/42/247017442.db2.gz LLFUCVLRVHNOKY-SOLBZPMBSA-N 2 1 374.485 0.294 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423569679 247056848 /nfs/dbraw/zinc/05/68/48/247056848.db2.gz SGYPVDJIRDFICM-GOEBONIOSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000423590886 247064838 /nfs/dbraw/zinc/06/48/38/247064838.db2.gz JMNYKEFPLIZZQV-PMPSAXMXSA-N 2 1 352.479 0.086 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423438663 247026779 /nfs/dbraw/zinc/02/67/79/247026779.db2.gz HCWNMWUWLHZBSZ-XSLAGTTESA-N 2 1 362.518 0.763 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000423437642 247027345 /nfs/dbraw/zinc/02/73/45/247027345.db2.gz GJVOKERQBBYOAJ-HYVNUMGLSA-N 2 1 350.507 0.620 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423453495 247029433 /nfs/dbraw/zinc/02/94/33/247029433.db2.gz XSPGMLWOGNFXDL-GASCZTMLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423461803 247031673 /nfs/dbraw/zinc/03/16/73/247031673.db2.gz OJTAUOUOMPZWEG-AEFFLSMTSA-N 2 1 374.485 0.296 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423528987 247040989 /nfs/dbraw/zinc/04/09/89/247040989.db2.gz PLYPYHVCMOGRMX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000423528987 247040994 /nfs/dbraw/zinc/04/09/94/247040994.db2.gz PLYPYHVCMOGRMX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCOC(=O)[C@H]1NCC[C@@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423522844 247041071 /nfs/dbraw/zinc/04/10/71/247041071.db2.gz HSNTUEYFDLZHOD-ROUUACIJSA-N 2 1 360.502 0.863 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423518938 247042296 /nfs/dbraw/zinc/04/22/96/247042296.db2.gz CTZKODUBXHMWGZ-DOTOQJQBSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC[N@H+]1CCOC ZINC000423518938 247042301 /nfs/dbraw/zinc/04/23/01/247042301.db2.gz CTZKODUBXHMWGZ-DOTOQJQBSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423518939 247042338 /nfs/dbraw/zinc/04/23/38/247042338.db2.gz CTZKODUBXHMWGZ-NVXWUHKLSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC[N@H+]1CCOC ZINC000423518939 247042341 /nfs/dbraw/zinc/04/23/41/247042341.db2.gz CTZKODUBXHMWGZ-NVXWUHKLSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000423694524 247113990 /nfs/dbraw/zinc/11/39/90/247113990.db2.gz GDJUVRKSJLWOKZ-UTKZUKDTSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423642880 247087521 /nfs/dbraw/zinc/08/75/21/247087521.db2.gz LSFIGPBULVUKFZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423651911 247094131 /nfs/dbraw/zinc/09/41/31/247094131.db2.gz WLTSFNCQKZMTEF-GUDVDZBRSA-N 2 1 370.497 0.917 20 0 FCADMP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423829559 247143178 /nfs/dbraw/zinc/14/31/78/247143178.db2.gz TXVONPXJKGGYCI-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861482 247146303 /nfs/dbraw/zinc/14/63/03/247146303.db2.gz COADEDWUFXKXFT-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000423915006 247151702 /nfs/dbraw/zinc/15/17/02/247151702.db2.gz ARHLBOFUUWOLOG-FQUUOJAGSA-N 2 1 350.442 0.703 20 0 FCADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423975147 247157123 /nfs/dbraw/zinc/15/71/23/247157123.db2.gz CFYJLQJZVZYPHA-HUUCEWRRSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1C ZINC000424490991 247238156 /nfs/dbraw/zinc/23/81/56/247238156.db2.gz BKCNHKHZAVFUAI-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1C ZINC000424490991 247238163 /nfs/dbraw/zinc/23/81/63/247238163.db2.gz BKCNHKHZAVFUAI-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000424497452 247241625 /nfs/dbraw/zinc/24/16/25/247241625.db2.gz XDNUHCDEERRAFE-LSDHHAIUSA-N 2 1 354.495 0.141 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000424540632 247257056 /nfs/dbraw/zinc/25/70/56/247257056.db2.gz DFDDPSNNNAAPIP-CVEARBPZSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425405942 247337136 /nfs/dbraw/zinc/33/71/36/247337136.db2.gz RRAXVQOYXCPTOQ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425405942 247337139 /nfs/dbraw/zinc/33/71/39/247337139.db2.gz RRAXVQOYXCPTOQ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425405942 247337142 /nfs/dbraw/zinc/33/71/42/247337142.db2.gz RRAXVQOYXCPTOQ-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000425672588 247360930 /nfs/dbraw/zinc/36/09/30/247360930.db2.gz KYINAJHOPJJICM-ZWKOTPCHSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000425672588 247360933 /nfs/dbraw/zinc/36/09/33/247360933.db2.gz KYINAJHOPJJICM-ZWKOTPCHSA-N 2 1 367.538 0.112 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576764 247708929 /nfs/dbraw/zinc/70/89/29/247708929.db2.gz XOGLKEBPEHFTDP-OLZOCXBDSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484973 248041338 /nfs/dbraw/zinc/04/13/38/248041338.db2.gz FCTWZJNHJMPFEA-CQSZACIVSA-N 2 1 352.483 0.754 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C1 ZINC000436297296 248036956 /nfs/dbraw/zinc/03/69/56/248036956.db2.gz XDEBETDQQOQLGL-QWFCFKBJSA-N 2 1 364.534 0.630 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438881320 248100053 /nfs/dbraw/zinc/10/00/53/248100053.db2.gz BHZJFLZAILJJJK-YOEHRIQHSA-N 2 1 371.485 0.741 20 0 FCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000443066943 248305768 /nfs/dbraw/zinc/30/57/68/248305768.db2.gz GBBYCGVGRDSTAQ-CQSZACIVSA-N 2 1 368.503 0.950 20 0 FCADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000443859227 248342169 /nfs/dbraw/zinc/34/21/69/248342169.db2.gz XOTWEJLJYFCNQO-INIZCTEOSA-N 2 1 352.504 0.691 20 0 FCADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000443859227 248342172 /nfs/dbraw/zinc/34/21/72/248342172.db2.gz XOTWEJLJYFCNQO-INIZCTEOSA-N 2 1 352.504 0.691 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444176400 248349301 /nfs/dbraw/zinc/34/93/01/248349301.db2.gz PDXFJKCMJRXDNW-XLIONFOSSA-N 2 1 356.470 0.690 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)CC1 ZINC000444171841 248349617 /nfs/dbraw/zinc/34/96/17/248349617.db2.gz QDEZCXITFOUOBK-FXAWDEMLSA-N 2 1 362.518 0.779 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C1 ZINC000444261557 248353521 /nfs/dbraw/zinc/35/35/21/248353521.db2.gz FYCQJKQFPTXAJJ-ZIFCJYIRSA-N 2 1 350.507 0.239 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453641536 249350652 /nfs/dbraw/zinc/35/06/52/249350652.db2.gz IURJHXSXCOVBIE-KRWDZBQOSA-N 2 1 362.474 0.868 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000453926701 249388876 /nfs/dbraw/zinc/38/88/76/249388876.db2.gz KKPJJHHUSVSTHI-WMLDXEAASA-N 2 1 360.458 0.728 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000271019218 211317021 /nfs/dbraw/zinc/31/70/21/211317021.db2.gz BFBQMGBCZNCAFD-KRWDZBQOSA-N 2 1 374.489 0.249 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270705261 211252373 /nfs/dbraw/zinc/25/23/73/211252373.db2.gz JNSSXKUIZABNQW-UHFFFAOYSA-N 2 1 367.494 0.790 20 0 FCADMP C[NH+](Cc1ccc(C[N@H+](C)CC(C)(CO)CO)cc1)CC(C)(CO)CO ZINC000270366090 211191414 /nfs/dbraw/zinc/19/14/14/211191414.db2.gz ZICSZFYCHQTJBP-UHFFFAOYSA-N 2 1 368.518 0.532 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470963486 250082478 /nfs/dbraw/zinc/08/24/78/250082478.db2.gz LEGPLZLTBURUMO-HYVNUMGLSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000471651713 250112993 /nfs/dbraw/zinc/11/29/93/250112993.db2.gz GPVYCILMTGWFFR-SFHVURJKSA-N 2 1 364.490 0.631 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284607 250143143 /nfs/dbraw/zinc/14/31/43/250143143.db2.gz MCOKFRCBNLIDLG-WBVHZDCISA-N 2 1 368.522 0.532 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000472278278 250143839 /nfs/dbraw/zinc/14/38/39/250143839.db2.gz NZMDGJBDBIRIAN-IXDOHACOSA-N 2 1 368.522 0.532 20 0 FCADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000473258144 250211807 /nfs/dbraw/zinc/21/18/07/250211807.db2.gz ZOPRDGGGQNTWPE-UYAOXDASSA-N 2 1 362.518 0.794 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000480886906 250293230 /nfs/dbraw/zinc/29/32/30/250293230.db2.gz VPNATHGBKDTDEO-MRXNPFEDSA-N 2 1 370.538 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000481769105 250356541 /nfs/dbraw/zinc/35/65/41/250356541.db2.gz JMOCNYNFEQQRFT-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000481769105 250356543 /nfs/dbraw/zinc/35/65/43/250356543.db2.gz JMOCNYNFEQQRFT-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000481769105 250356545 /nfs/dbraw/zinc/35/65/45/250356545.db2.gz JMOCNYNFEQQRFT-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000481804352 250361371 /nfs/dbraw/zinc/36/13/71/250361371.db2.gz DYGWZEYIVWARJT-WBTNSWJXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000481804352 250361374 /nfs/dbraw/zinc/36/13/74/250361374.db2.gz DYGWZEYIVWARJT-WBTNSWJXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000481804352 250361378 /nfs/dbraw/zinc/36/13/78/250361378.db2.gz DYGWZEYIVWARJT-WBTNSWJXSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000482530381 250393048 /nfs/dbraw/zinc/39/30/48/250393048.db2.gz LGQUUHHKCHEUHF-VXGBXAGGSA-N 2 1 360.505 0.652 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000482530381 250393053 /nfs/dbraw/zinc/39/30/53/250393053.db2.gz LGQUUHHKCHEUHF-VXGBXAGGSA-N 2 1 360.505 0.652 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+](C)C1 ZINC000413138649 532988581 /nfs/dbraw/zinc/98/85/81/532988581.db2.gz DALCTKZMXVZROR-CQSZACIVSA-N 2 1 354.495 0.996 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069506211 208034023 /nfs/dbraw/zinc/03/40/23/208034023.db2.gz ZVMFHCQSYBYIGR-UHFFFAOYSA-N 2 1 353.511 0.522 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466070 208088888 /nfs/dbraw/zinc/08/88/88/208088888.db2.gz BGOQWWFJSBFCRL-CRAIPNDOSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466070 208088893 /nfs/dbraw/zinc/08/88/93/208088893.db2.gz BGOQWWFJSBFCRL-CRAIPNDOSA-N 2 1 373.501 0.898 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961225 208123929 /nfs/dbraw/zinc/12/39/29/208123929.db2.gz PPRBVPQNXJZBCI-PMACEKPBSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961225 208123935 /nfs/dbraw/zinc/12/39/35/208123935.db2.gz PPRBVPQNXJZBCI-PMACEKPBSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961225 208123940 /nfs/dbraw/zinc/12/39/40/208123940.db2.gz PPRBVPQNXJZBCI-PMACEKPBSA-N 2 1 374.529 0.766 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000090003474 208127953 /nfs/dbraw/zinc/12/79/53/208127953.db2.gz LHKPKVROEIHPMR-SJORKVTESA-N 2 1 361.490 0.802 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000090003474 208127958 /nfs/dbraw/zinc/12/79/58/208127958.db2.gz LHKPKVROEIHPMR-SJORKVTESA-N 2 1 361.490 0.802 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000104141397 208182415 /nfs/dbraw/zinc/18/24/15/208182415.db2.gz TWNYPBCEEBIIBV-QGZVFWFLSA-N 2 1 360.506 0.979 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000104141397 208182421 /nfs/dbraw/zinc/18/24/21/208182421.db2.gz TWNYPBCEEBIIBV-QGZVFWFLSA-N 2 1 360.506 0.979 20 0 FCADMP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105233599 208194055 /nfs/dbraw/zinc/19/40/55/208194055.db2.gz UNPVSUHUVNOWEP-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105233599 208194062 /nfs/dbraw/zinc/19/40/62/208194062.db2.gz UNPVSUHUVNOWEP-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP COCC[NH+](C)CCNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105233599 208194068 /nfs/dbraw/zinc/19/40/68/208194068.db2.gz UNPVSUHUVNOWEP-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP COCC[NH+](C)CCNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105233599 208194071 /nfs/dbraw/zinc/19/40/71/208194071.db2.gz UNPVSUHUVNOWEP-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000110240621 208264942 /nfs/dbraw/zinc/26/49/42/208264942.db2.gz BHQWYNPQDFLRIN-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867649 208288239 /nfs/dbraw/zinc/28/82/39/208288239.db2.gz JEUHVLZQWGWKNV-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246473580 209391047 /nfs/dbraw/zinc/39/10/47/209391047.db2.gz QWYCHFSYJIXPNG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000412569820 533092274 /nfs/dbraw/zinc/09/22/74/533092274.db2.gz INCYNCJKWAPMHM-KRWDZBQOSA-N 2 1 362.474 0.964 20 0 FCADMP CSCC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000178884459 209062795 /nfs/dbraw/zinc/06/27/95/209062795.db2.gz XUOKANIXMBWKKI-CVEARBPZSA-N 2 1 358.552 0.320 20 0 FCADMP CN(c1ccccc1C[NH+]1CCN(CC(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000179835135 209087421 /nfs/dbraw/zinc/08/74/21/209087421.db2.gz IOBYCWURYBZNGZ-UHFFFAOYSA-N 2 1 359.518 0.820 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178956603 209066838 /nfs/dbraw/zinc/06/68/38/209066838.db2.gz ASJNQAHVAKUAKM-UHFFFAOYSA-N 2 1 356.492 0.987 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+](C)C1 ZINC000413052907 533480249 /nfs/dbraw/zinc/48/02/49/533480249.db2.gz IRRMZNYJPWUMCJ-JKSUJKDBSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052907 533480255 /nfs/dbraw/zinc/48/02/55/533480255.db2.gz IRRMZNYJPWUMCJ-JKSUJKDBSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052907 533480258 /nfs/dbraw/zinc/48/02/58/533480258.db2.gz IRRMZNYJPWUMCJ-JKSUJKDBSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C)C1 ZINC000413893226 533484616 /nfs/dbraw/zinc/48/46/16/533484616.db2.gz AMFNGLMXWJDNNC-HOCLYGCPSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C)C1 ZINC000413893226 533484623 /nfs/dbraw/zinc/48/46/23/533484623.db2.gz AMFNGLMXWJDNNC-HOCLYGCPSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893226 533484627 /nfs/dbraw/zinc/48/46/27/533484627.db2.gz AMFNGLMXWJDNNC-HOCLYGCPSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893226 533484637 /nfs/dbraw/zinc/48/46/37/533484637.db2.gz AMFNGLMXWJDNNC-HOCLYGCPSA-N 2 1 353.463 0.193 20 0 FCADMP CCO[C@H]1C[C@@](CO)([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000186597190 229235667 /nfs/dbraw/zinc/23/56/67/229235667.db2.gz IAXUMRQTQQGDBY-LPHOPBHVSA-N 2 1 363.506 0.884 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000410468043 230090657 /nfs/dbraw/zinc/09/06/57/230090657.db2.gz LOFPPPIQEIZTJV-MRXNPFEDSA-N 2 1 361.490 0.754 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000410939098 230316215 /nfs/dbraw/zinc/31/62/15/230316215.db2.gz QVMLUJHFKZHZBM-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000410939098 230316220 /nfs/dbraw/zinc/31/62/20/230316220.db2.gz QVMLUJHFKZHZBM-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410939098 230316222 /nfs/dbraw/zinc/31/62/22/230316222.db2.gz QVMLUJHFKZHZBM-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410939098 230316224 /nfs/dbraw/zinc/31/62/24/230316224.db2.gz QVMLUJHFKZHZBM-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963157 230331009 /nfs/dbraw/zinc/33/10/09/230331009.db2.gz MKACTFPDJXRYTB-NEWSRXKRSA-N 2 1 372.513 0.934 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000473080365 484256154 /nfs/dbraw/zinc/25/61/54/484256154.db2.gz LOBDEYYFVXLYIB-CQSZACIVSA-N 2 1 366.466 0.546 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000473080364 484258013 /nfs/dbraw/zinc/25/80/13/484258013.db2.gz LOBDEYYFVXLYIB-AWEZNQCLSA-N 2 1 366.466 0.546 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000287565526 488882129 /nfs/dbraw/zinc/88/21/29/488882129.db2.gz DUYRPXKRPCNIQM-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP Cn1nccc1N1CCC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000278508655 488879230 /nfs/dbraw/zinc/87/92/30/488879230.db2.gz PKLUIALNHPIZJR-KRWDZBQOSA-N 2 1 370.505 0.721 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699587 488895196 /nfs/dbraw/zinc/89/51/96/488895196.db2.gz UHMUAWXRBXBXSQ-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP COc1cc2[nH+]c(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nc(N)c2cc1OC ZINC000364030059 488915541 /nfs/dbraw/zinc/91/55/41/488915541.db2.gz BOCAZDVEODBSLJ-NWDGAFQWSA-N 2 1 359.430 0.926 20 0 FCADMP COc1cc2[nH+]c(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)nc(N)c2cc1OC ZINC000364030059 488915544 /nfs/dbraw/zinc/91/55/44/488915544.db2.gz BOCAZDVEODBSLJ-NWDGAFQWSA-N 2 1 359.430 0.926 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000327627816 488919951 /nfs/dbraw/zinc/91/99/51/488919951.db2.gz OHQSWDHTOQQOHR-CQSZACIVSA-N 2 1 358.442 0.460 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000562803659 491190580 /nfs/dbraw/zinc/19/05/80/491190580.db2.gz DAMPAUWRVGNKIT-NZSAHSFTSA-N 2 1 359.518 0.925 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958429 488152112 /nfs/dbraw/zinc/15/21/12/488152112.db2.gz DTVHLLLIZJYNHU-OAHLLOKOSA-N 2 1 354.495 0.901 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000288288639 488966168 /nfs/dbraw/zinc/96/61/68/488966168.db2.gz VSEPSAQTYUJXKS-UHFFFAOYSA-N 2 1 368.478 0.254 20 0 FCADMP O=C1C[C@@]2(CN1)CCC[NH+](CCCC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000072833844 488382955 /nfs/dbraw/zinc/38/29/55/488382955.db2.gz DBWMTIPSOVZWNA-BGYRXZFFSA-N 2 1 362.518 0.971 20 0 FCADMP O=C1C[C@@]2(CN1)CCC[N@@H+](CCCC[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000072833844 488382956 /nfs/dbraw/zinc/38/29/56/488382956.db2.gz DBWMTIPSOVZWNA-BGYRXZFFSA-N 2 1 362.518 0.971 20 0 FCADMP O=C1C[C@@]2(CN1)CCC[N@H+](CCCC[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000072833844 488382957 /nfs/dbraw/zinc/38/29/57/488382957.db2.gz DBWMTIPSOVZWNA-BGYRXZFFSA-N 2 1 362.518 0.971 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225589 488384034 /nfs/dbraw/zinc/38/40/34/488384034.db2.gz ZCGVOSQFFHLXTR-KSZLIROESA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225589 488384035 /nfs/dbraw/zinc/38/40/35/488384035.db2.gz ZCGVOSQFFHLXTR-KSZLIROESA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225589 488384036 /nfs/dbraw/zinc/38/40/36/488384036.db2.gz ZCGVOSQFFHLXTR-KSZLIROESA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225589 488384037 /nfs/dbraw/zinc/38/40/37/488384037.db2.gz ZCGVOSQFFHLXTR-KSZLIROESA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)(CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000073489062 488384698 /nfs/dbraw/zinc/38/46/98/488384698.db2.gz ZWCMHFHHKOBAMH-SFHVURJKSA-N 2 1 356.511 0.633 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CC[NH+](C)CC1 ZINC000074008863 488387166 /nfs/dbraw/zinc/38/71/66/488387166.db2.gz LOMDNDLZWSPHQP-QGZVFWFLSA-N 2 1 369.554 0.668 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000074166906 488388665 /nfs/dbraw/zinc/38/86/65/488388665.db2.gz FZYVTXYUQWKONS-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000074166906 488388667 /nfs/dbraw/zinc/38/86/67/488388667.db2.gz FZYVTXYUQWKONS-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000074345431 488390913 /nfs/dbraw/zinc/39/09/13/488390913.db2.gz NUGNOUBKNDEWBF-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345555 488391089 /nfs/dbraw/zinc/39/10/89/488391089.db2.gz MZKWWAHHOACLER-OAHLLOKOSA-N 2 1 353.511 0.746 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000074345361 488391117 /nfs/dbraw/zinc/39/11/17/488391117.db2.gz SKRDNLXZFGZUOO-INIZCTEOSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000185313357 488400282 /nfs/dbraw/zinc/40/02/82/488400282.db2.gz ULELJNPDOPGCNJ-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185735823 488402203 /nfs/dbraw/zinc/40/22/03/488402203.db2.gz WCWNXMMXVRCNQD-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000186613994 488407233 /nfs/dbraw/zinc/40/72/33/488407233.db2.gz SQWUFNYYGCAIHS-UHFFFAOYSA-N 2 1 357.524 0.826 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000076971782 488407984 /nfs/dbraw/zinc/40/79/84/488407984.db2.gz LDWCZHKLHFNVRK-JKSUJKDBSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000076971782 488407985 /nfs/dbraw/zinc/40/79/85/488407985.db2.gz LDWCZHKLHFNVRK-JKSUJKDBSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000076971782 488407986 /nfs/dbraw/zinc/40/79/86/488407986.db2.gz LDWCZHKLHFNVRK-JKSUJKDBSA-N 2 1 351.495 0.357 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000077712037 488416682 /nfs/dbraw/zinc/41/66/82/488416682.db2.gz VRNAZZKMZURUBM-UHFFFAOYSA-N 2 1 361.490 0.758 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000079121293 488427586 /nfs/dbraw/zinc/42/75/86/488427586.db2.gz NNNXYYQYCZTZHT-QGZVFWFLSA-N 2 1 361.490 0.753 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000195138533 488435864 /nfs/dbraw/zinc/43/58/64/488435864.db2.gz ZVFBOJRQDLIPKL-QGZVFWFLSA-N 2 1 356.511 0.753 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237674041 488456733 /nfs/dbraw/zinc/45/67/33/488456733.db2.gz IMMRYUAPODVEPO-CVEARBPZSA-N 2 1 363.531 0.803 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000091619696 488466463 /nfs/dbraw/zinc/46/64/63/488466463.db2.gz FKVHMKSQGGSFMJ-INIZCTEOSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000091619696 488466466 /nfs/dbraw/zinc/46/64/66/488466466.db2.gz FKVHMKSQGGSFMJ-INIZCTEOSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000245897866 488467022 /nfs/dbraw/zinc/46/70/22/488467022.db2.gz KSGJDOXTJSIBCZ-QZTJIDSGSA-N 2 1 369.554 0.765 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269246704 488482220 /nfs/dbraw/zinc/48/22/20/488482220.db2.gz VLGBWSRVNYVUBT-UHFFFAOYSA-N 2 1 371.485 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000562934304 491201622 /nfs/dbraw/zinc/20/16/22/491201622.db2.gz IFLKMSVUEYALIL-QKLQHJQFSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1CCO ZINC000562934304 491201623 /nfs/dbraw/zinc/20/16/23/491201623.db2.gz IFLKMSVUEYALIL-QKLQHJQFSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1CCO ZINC000562934304 491201624 /nfs/dbraw/zinc/20/16/24/491201624.db2.gz IFLKMSVUEYALIL-QKLQHJQFSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000562934304 491201628 /nfs/dbraw/zinc/20/16/28/491201628.db2.gz IFLKMSVUEYALIL-QKLQHJQFSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@]1(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269046 488484690 /nfs/dbraw/zinc/48/46/90/488484690.db2.gz QVMSKANAOURGAN-FXAWDEMLSA-N 2 1 358.486 1.000 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248446651 488496696 /nfs/dbraw/zinc/49/66/96/488496696.db2.gz NCJVTBRFHJJWAU-GOSISDBHSA-N 2 1 364.490 0.631 20 0 FCADMP COCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248446651 488496698 /nfs/dbraw/zinc/49/66/98/488496698.db2.gz NCJVTBRFHJJWAU-GOSISDBHSA-N 2 1 364.490 0.631 20 0 FCADMP COCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248446651 488496699 /nfs/dbraw/zinc/49/66/99/488496699.db2.gz NCJVTBRFHJJWAU-GOSISDBHSA-N 2 1 364.490 0.631 20 0 FCADMP Cc1nn(C)c(C)c1-c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n[nH]1 ZINC000103212839 488500627 /nfs/dbraw/zinc/50/06/27/488500627.db2.gz SWEBSFLIBKOELQ-UHFFFAOYSA-N 2 1 361.494 0.992 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103306749 488500774 /nfs/dbraw/zinc/50/07/74/488500774.db2.gz MJCHCJJJOVOKSA-MRXNPFEDSA-N 2 1 363.506 0.420 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000103508568 488502423 /nfs/dbraw/zinc/50/24/23/488502423.db2.gz GNUBGUFGHHUEPM-HDICACEKSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104801318 488505927 /nfs/dbraw/zinc/50/59/27/488505927.db2.gz DSNJEMCQNRVFER-CABCVRRESA-N 2 1 353.511 0.711 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105223236 488507979 /nfs/dbraw/zinc/50/79/79/488507979.db2.gz CJSNURMNNHYZTD-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000105137473 488508348 /nfs/dbraw/zinc/50/83/48/488508348.db2.gz LURYCNGAQNDBIZ-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249380855 488509621 /nfs/dbraw/zinc/50/96/21/488509621.db2.gz QJSPJHXWGNIWKB-GOEBONIOSA-N 2 1 352.479 0.311 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249380855 488509623 /nfs/dbraw/zinc/50/96/23/488509623.db2.gz QJSPJHXWGNIWKB-GOEBONIOSA-N 2 1 352.479 0.311 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000554462043 491204179 /nfs/dbraw/zinc/20/41/79/491204179.db2.gz UGMJRGQCSLJDJW-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000554462043 491204182 /nfs/dbraw/zinc/20/41/82/491204182.db2.gz UGMJRGQCSLJDJW-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000554462043 491204184 /nfs/dbraw/zinc/20/41/84/491204184.db2.gz UGMJRGQCSLJDJW-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCOCC1 ZINC000253132972 488519329 /nfs/dbraw/zinc/51/93/29/488519329.db2.gz XJIHKDWCSROPCG-JKSUJKDBSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCOCC1 ZINC000253132972 488519330 /nfs/dbraw/zinc/51/93/30/488519330.db2.gz XJIHKDWCSROPCG-JKSUJKDBSA-N 2 1 356.511 0.441 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](C)C2)CC1 ZINC000108591018 488520320 /nfs/dbraw/zinc/52/03/20/488520320.db2.gz SSGZBDZSLMPHCA-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](C)C2)CC1 ZINC000108591018 488520321 /nfs/dbraw/zinc/52/03/21/488520321.db2.gz SSGZBDZSLMPHCA-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108591018 488520323 /nfs/dbraw/zinc/52/03/23/488520323.db2.gz SSGZBDZSLMPHCA-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000108591018 488520324 /nfs/dbraw/zinc/52/03/24/488520324.db2.gz SSGZBDZSLMPHCA-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP COc1cc(OC)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000261626424 488527876 /nfs/dbraw/zinc/52/78/76/488527876.db2.gz GVZNMXGCVDVJTB-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261675671 488530437 /nfs/dbraw/zinc/53/04/37/488530437.db2.gz HXCWSEHCYDNHTG-QGTPRVQTSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261675671 488530439 /nfs/dbraw/zinc/53/04/39/488530439.db2.gz HXCWSEHCYDNHTG-QGTPRVQTSA-N 2 1 358.486 0.773 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCOCC1 ZINC000111811691 488531658 /nfs/dbraw/zinc/53/16/58/488531658.db2.gz QTHFOFOYKRLPRM-KRWDZBQOSA-N 2 1 356.511 0.347 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261768653 488535087 /nfs/dbraw/zinc/53/50/87/488535087.db2.gz OPLIIIKTSMUOLJ-IPELMVKDSA-N 2 1 358.486 0.740 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261768653 488535088 /nfs/dbraw/zinc/53/50/88/488535088.db2.gz OPLIIIKTSMUOLJ-IPELMVKDSA-N 2 1 358.486 0.740 20 0 FCADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261839254 488537997 /nfs/dbraw/zinc/53/79/97/488537997.db2.gz UWMGRLWWLMFWAH-QZTJIDSGSA-N 2 1 358.486 0.822 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261847631 488538721 /nfs/dbraw/zinc/53/87/21/488538721.db2.gz MDWASASEQYXCCZ-RDJZCZTQSA-N 2 1 369.469 0.775 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261906878 488541147 /nfs/dbraw/zinc/54/11/47/488541147.db2.gz XCVRWOCETRODGX-YJBOKZPZSA-N 2 1 361.490 0.462 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916531 488541808 /nfs/dbraw/zinc/54/18/08/488541808.db2.gz UNOBSQHLCLXBCP-IRXDYDNUSA-N 2 1 359.474 0.278 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccnc1 ZINC000261916531 488541809 /nfs/dbraw/zinc/54/18/09/488541809.db2.gz UNOBSQHLCLXBCP-IRXDYDNUSA-N 2 1 359.474 0.278 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)O1 ZINC000261942743 488543238 /nfs/dbraw/zinc/54/32/38/488543238.db2.gz JLAMGDAWLRVNHW-OLZOCXBDSA-N 2 1 353.385 0.606 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000115816794 488545674 /nfs/dbraw/zinc/54/56/74/488545674.db2.gz FAJDOKIZPSAGPY-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115816794 488545676 /nfs/dbraw/zinc/54/56/76/488545676.db2.gz FAJDOKIZPSAGPY-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115816794 488545678 /nfs/dbraw/zinc/54/56/78/488545678.db2.gz FAJDOKIZPSAGPY-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])C3CCOCC3)c2)CC1 ZINC000262042360 488547843 /nfs/dbraw/zinc/54/78/43/488547843.db2.gz QIOINMFUPSLOQB-LJQANCHMSA-N 2 1 374.485 0.696 20 0 FCADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262107599 488550711 /nfs/dbraw/zinc/55/07/11/488550711.db2.gz MJWIXFMHAXHSFZ-QGZVFWFLSA-N 2 1 358.486 0.950 20 0 FCADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000262221173 488558169 /nfs/dbraw/zinc/55/81/69/488558169.db2.gz UOAOGBVXJKRUHA-MRXNPFEDSA-N 2 1 359.474 0.862 20 0 FCADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262352843 488565449 /nfs/dbraw/zinc/56/54/49/488565449.db2.gz FKUOODCPUMJIFF-ZDUSSCGKSA-N 2 1 358.364 0.471 20 0 FCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000262516863 488574534 /nfs/dbraw/zinc/57/45/34/488574534.db2.gz GUOBEGFNNKPCIK-HUUCEWRRSA-N 2 1 362.474 0.947 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262548707 488577195 /nfs/dbraw/zinc/57/71/95/488577195.db2.gz OQEYEUHSSUVXRE-NCOADZHNSA-N 2 1 368.522 0.434 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262637598 488583652 /nfs/dbraw/zinc/58/36/52/488583652.db2.gz QFZUWASOWOVTJW-IXDOHACOSA-N 2 1 350.507 0.825 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000262776460 488592696 /nfs/dbraw/zinc/59/26/96/488592696.db2.gz KBBJVWLYXWZLRZ-MRXNPFEDSA-N 2 1 368.441 0.757 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000262776460 488592698 /nfs/dbraw/zinc/59/26/98/488592698.db2.gz KBBJVWLYXWZLRZ-MRXNPFEDSA-N 2 1 368.441 0.757 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000554585262 491211285 /nfs/dbraw/zinc/21/12/85/491211285.db2.gz XIBHANBVOQNDDH-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(CCC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000263047531 488603443 /nfs/dbraw/zinc/60/34/43/488603443.db2.gz UCVXSVSHOOJZGB-UHFFFAOYSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000126048196 488606417 /nfs/dbraw/zinc/60/64/17/488606417.db2.gz IPNOZVWZAJBADJ-UKRRQHHQSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000126048196 488606420 /nfs/dbraw/zinc/60/64/20/488606420.db2.gz IPNOZVWZAJBADJ-UKRRQHHQSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263265326 488608582 /nfs/dbraw/zinc/60/85/82/488608582.db2.gz UZJWCOOIGUPXFP-DAYGRLMNSA-N 2 1 368.522 0.434 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000129172049 488629342 /nfs/dbraw/zinc/62/93/42/488629342.db2.gz GIKLFIOLSDDTTE-QGZVFWFLSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000129172049 488629344 /nfs/dbraw/zinc/62/93/44/488629344.db2.gz GIKLFIOLSDDTTE-QGZVFWFLSA-N 2 1 352.523 0.630 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000129545779 488631787 /nfs/dbraw/zinc/63/17/87/488631787.db2.gz ZIPDYFMGQODWDQ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+](C)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000133641563 488660883 /nfs/dbraw/zinc/66/08/83/488660883.db2.gz XYQKHDPQQNSTQX-KRWDZBQOSA-N 2 1 361.490 0.745 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000570093176 491215756 /nfs/dbraw/zinc/21/57/56/491215756.db2.gz JZBRQJLHFSLMDF-ZFWWWQNUSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000570093176 491215759 /nfs/dbraw/zinc/21/57/59/491215759.db2.gz JZBRQJLHFSLMDF-ZFWWWQNUSA-N 2 1 368.503 0.052 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136247259 488677263 /nfs/dbraw/zinc/67/72/63/488677263.db2.gz JQAADNHUXCEMGE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000136387787 488677709 /nfs/dbraw/zinc/67/77/09/488677709.db2.gz SAHDLHBKJGKSDI-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000264488698 488678531 /nfs/dbraw/zinc/67/85/31/488678531.db2.gz PFKHQDIKRMZLCT-IRXDYDNUSA-N 2 1 361.490 0.928 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000138616499 488682683 /nfs/dbraw/zinc/68/26/83/488682683.db2.gz KSLBYWIPKQYZSP-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000138616499 488682685 /nfs/dbraw/zinc/68/26/85/488682685.db2.gz KSLBYWIPKQYZSP-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000139808356 488685881 /nfs/dbraw/zinc/68/58/81/488685881.db2.gz BHFGSTCFJUPBPF-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000139808356 488685882 /nfs/dbraw/zinc/68/58/82/488685882.db2.gz BHFGSTCFJUPBPF-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000139958264 488686289 /nfs/dbraw/zinc/68/62/89/488686289.db2.gz FBLKFSBBCGZASQ-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139958264 488686291 /nfs/dbraw/zinc/68/62/91/488686291.db2.gz FBLKFSBBCGZASQ-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000139958264 488686293 /nfs/dbraw/zinc/68/62/93/488686293.db2.gz FBLKFSBBCGZASQ-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698448 488699808 /nfs/dbraw/zinc/69/98/08/488699808.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698448 488699811 /nfs/dbraw/zinc/69/98/11/488699811.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+]1CCc2ccccc2C1 ZINC000264698448 488699812 /nfs/dbraw/zinc/69/98/12/488699812.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000554630648 491214075 /nfs/dbraw/zinc/21/40/75/491214075.db2.gz XOCRAVTWUUXIRM-HNNXBMFYSA-N 2 1 350.507 0.991 20 0 FCADMP C[NH+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152369414 488716502 /nfs/dbraw/zinc/71/65/02/488716502.db2.gz BBUHJNIFTGREEO-KRWDZBQOSA-N 2 1 360.506 0.789 20 0 FCADMP C[NH+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152369414 488716505 /nfs/dbraw/zinc/71/65/05/488716505.db2.gz BBUHJNIFTGREEO-KRWDZBQOSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000152385804 488717021 /nfs/dbraw/zinc/71/70/21/488717021.db2.gz LNYSAJCSJVWJPL-SJLPKXTDSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000152385804 488717023 /nfs/dbraw/zinc/71/70/23/488717023.db2.gz LNYSAJCSJVWJPL-SJLPKXTDSA-N 2 1 356.511 0.489 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000274690541 488727643 /nfs/dbraw/zinc/72/76/43/488727643.db2.gz UTOKBDRXKAIPSW-UHFFFAOYSA-N 2 1 353.467 0.135 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922218 488736235 /nfs/dbraw/zinc/73/62/35/488736235.db2.gz ZVAQVAQLMDSYJV-GJZGRUSLSA-N 2 1 354.520 0.189 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCSCC1 ZINC000153922218 488736237 /nfs/dbraw/zinc/73/62/37/488736237.db2.gz ZVAQVAQLMDSYJV-GJZGRUSLSA-N 2 1 354.520 0.189 20 0 FCADMP CC(C)(CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000570146615 491219614 /nfs/dbraw/zinc/21/96/14/491219614.db2.gz DVZDAXGGXDTAEC-UHFFFAOYSA-N 2 1 373.501 0.554 20 0 FCADMP CCOC(=O)N1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158737938 488780057 /nfs/dbraw/zinc/78/00/57/488780057.db2.gz NYAGCYOEYVWWDK-CVEARBPZSA-N 2 1 352.479 0.703 20 0 FCADMP C[C@@]([NH2+]CCC(=O)N1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000563153617 491222783 /nfs/dbraw/zinc/22/27/83/491222783.db2.gz BFZFSAXKHKHWMS-INIZCTEOSA-N 2 1 372.391 0.817 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])CCSC)CC2)CC1 ZINC000167819236 488812411 /nfs/dbraw/zinc/81/24/11/488812411.db2.gz FBRVMGGOWPKUON-MRXNPFEDSA-N 2 1 370.563 0.860 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000171923200 488828784 /nfs/dbraw/zinc/82/87/84/488828784.db2.gz OZTNPKNPONQTEJ-CYBMUJFWSA-N 2 1 364.412 0.539 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000172425473 488834103 /nfs/dbraw/zinc/83/41/03/488834103.db2.gz LNLMCDOFEMAWIJ-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000173914391 488846117 /nfs/dbraw/zinc/84/61/17/488846117.db2.gz HYJMEZZXBQVLBN-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000173914391 488846118 /nfs/dbraw/zinc/84/61/18/488846118.db2.gz HYJMEZZXBQVLBN-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)CN1CC[NH+](C)CC1 ZINC000174918417 488852078 /nfs/dbraw/zinc/85/20/78/488852078.db2.gz TVXOJPIMMPJSNH-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176085451 488857261 /nfs/dbraw/zinc/85/72/61/488857261.db2.gz CTZBUOUMSJQEAC-UHFFFAOYSA-N 2 1 350.463 0.690 20 0 FCADMP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000176287873 488858082 /nfs/dbraw/zinc/85/80/82/488858082.db2.gz UMCMMVUCWAAVDQ-IRXDYDNUSA-N 2 1 354.495 0.318 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364708449 488989612 /nfs/dbraw/zinc/98/96/12/488989612.db2.gz SKTYYWUCPRHJDJ-KRWDZBQOSA-N 2 1 353.511 0.178 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364708450 488989971 /nfs/dbraw/zinc/98/99/71/488989971.db2.gz SKTYYWUCPRHJDJ-QGZVFWFLSA-N 2 1 353.511 0.178 20 0 FCADMP C[N@@H+](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000329405306 489001483 /nfs/dbraw/zinc/00/14/83/489001483.db2.gz BUWFMKWFTHMZJP-HNNXBMFYSA-N 2 1 357.520 0.109 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509099 489011468 /nfs/dbraw/zinc/01/14/68/489011468.db2.gz JONJWUMCOHVJPL-IAGOWNOFSA-N 2 1 360.506 0.930 20 0 FCADMP C[C@H](CO)[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000364916730 489017358 /nfs/dbraw/zinc/01/73/58/489017358.db2.gz OLACQGPJBJNYNY-IEBWSBKVSA-N 2 1 362.518 0.794 20 0 FCADMP C[C@@H]1CN(C(=O)COCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000329718971 489030514 /nfs/dbraw/zinc/03/05/14/489030514.db2.gz ZSUJDTZNFYLNRB-GEEKYZPCSA-N 2 1 354.495 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183470 489047361 /nfs/dbraw/zinc/04/73/61/489047361.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365183470 489047365 /nfs/dbraw/zinc/04/73/65/489047365.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365183470 489047369 /nfs/dbraw/zinc/04/73/69/489047369.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365183470 489047372 /nfs/dbraw/zinc/04/73/72/489047372.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365183470 489047375 /nfs/dbraw/zinc/04/73/75/489047375.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccn3ccnc3c2)CCCO1 ZINC000289254605 489053289 /nfs/dbraw/zinc/05/32/89/489053289.db2.gz QHMYDZHIALBJKI-OAHLLOKOSA-N 2 1 373.457 0.568 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322476 489063595 /nfs/dbraw/zinc/06/35/95/489063595.db2.gz AWMIRSFELNIQOA-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000365322476 489063598 /nfs/dbraw/zinc/06/35/98/489063598.db2.gz AWMIRSFELNIQOA-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000365322476 489063599 /nfs/dbraw/zinc/06/35/99/489063599.db2.gz AWMIRSFELNIQOA-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CN(CCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)CC[NH+](C)C ZINC000289461598 489069240 /nfs/dbraw/zinc/06/92/40/489069240.db2.gz QDULVXGPHDDVQP-UHFFFAOYSA-N 2 1 372.535 0.528 20 0 FCADMP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000330115063 489070462 /nfs/dbraw/zinc/07/04/62/489070462.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000330115063 489070465 /nfs/dbraw/zinc/07/04/65/489070465.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CCCO1 ZINC000365473335 489078723 /nfs/dbraw/zinc/07/87/23/489078723.db2.gz ZXTKVPYTVIIKRV-IKGGRYGDSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCO1 ZINC000365473335 489078726 /nfs/dbraw/zinc/07/87/26/489078726.db2.gz ZXTKVPYTVIIKRV-IKGGRYGDSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCO1 ZINC000365473335 489078729 /nfs/dbraw/zinc/07/87/29/489078729.db2.gz ZXTKVPYTVIIKRV-IKGGRYGDSA-N 2 1 354.495 0.650 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000289662867 489084897 /nfs/dbraw/zinc/08/48/97/489084897.db2.gz FAGCOTQNHMIORR-DOTOQJQBSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000289662867 489084899 /nfs/dbraw/zinc/08/48/99/489084899.db2.gz FAGCOTQNHMIORR-DOTOQJQBSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCO)C[C@H](C)O)CC1 ZINC000554952624 491233671 /nfs/dbraw/zinc/23/36/71/491233671.db2.gz USSJIABYLWAAMK-KRWDZBQOSA-N 2 1 363.502 0.751 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCO)C[C@H](C)O)CC1 ZINC000554952624 491233672 /nfs/dbraw/zinc/23/36/72/491233672.db2.gz USSJIABYLWAAMK-KRWDZBQOSA-N 2 1 363.502 0.751 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290141819 489117230 /nfs/dbraw/zinc/11/72/30/489117230.db2.gz BQVCBZXJWOFQQT-MRXNPFEDSA-N 2 1 361.490 0.767 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290415919 489138237 /nfs/dbraw/zinc/13/82/37/489138237.db2.gz JJSADDJFZSOVGC-HZPDHXFCSA-N 2 1 359.474 0.625 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000555040610 491236200 /nfs/dbraw/zinc/23/62/00/491236200.db2.gz SSDBGPBFMOPPDF-AWEZNQCLSA-N 2 1 364.494 0.933 20 0 FCADMP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCN1CC[NH2+]CC1 ZINC000570397345 491238354 /nfs/dbraw/zinc/23/83/54/491238354.db2.gz GIKOCUAVRLTENN-UHFFFAOYSA-N 2 1 355.504 0.696 20 0 FCADMP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCN1CC[NH2+]CC1 ZINC000570397345 491238356 /nfs/dbraw/zinc/23/83/56/491238356.db2.gz GIKOCUAVRLTENN-UHFFFAOYSA-N 2 1 355.504 0.696 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000331449715 489213390 /nfs/dbraw/zinc/21/33/90/489213390.db2.gz YZFPJJBYEFCKHJ-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331449715 489213392 /nfs/dbraw/zinc/21/33/92/489213392.db2.gz YZFPJJBYEFCKHJ-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331449715 489213394 /nfs/dbraw/zinc/21/33/94/489213394.db2.gz YZFPJJBYEFCKHJ-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000563363878 491240014 /nfs/dbraw/zinc/24/00/14/491240014.db2.gz MJRIYLQCMNBBEH-UHFFFAOYSA-N 2 1 362.474 0.939 20 0 FCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451290 491241576 /nfs/dbraw/zinc/24/15/76/491241576.db2.gz FXBRUTAPDXIHHH-HZPDHXFCSA-N 2 1 367.490 0.618 20 0 FCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451290 491241577 /nfs/dbraw/zinc/24/15/77/491241577.db2.gz FXBRUTAPDXIHHH-HZPDHXFCSA-N 2 1 367.490 0.618 20 0 FCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451293 491241825 /nfs/dbraw/zinc/24/18/25/491241825.db2.gz FXBRUTAPDXIHHH-JKSUJKDBSA-N 2 1 367.490 0.618 20 0 FCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570451293 491241827 /nfs/dbraw/zinc/24/18/27/491241827.db2.gz FXBRUTAPDXIHHH-JKSUJKDBSA-N 2 1 367.490 0.618 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333989035 489264481 /nfs/dbraw/zinc/26/44/81/489264481.db2.gz IPPYRMYHVBTRDB-KBAYOESNSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333989035 489264483 /nfs/dbraw/zinc/26/44/83/489264483.db2.gz IPPYRMYHVBTRDB-KBAYOESNSA-N 2 1 368.522 0.462 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000298034889 489280254 /nfs/dbraw/zinc/28/02/54/489280254.db2.gz ODLCSBUCBKIEGL-MRXNPFEDSA-N 2 1 364.490 0.970 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369860788 489283845 /nfs/dbraw/zinc/28/38/45/489283845.db2.gz HPWRTSMXFGJVBH-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000283682656 489290628 /nfs/dbraw/zinc/29/06/28/489290628.db2.gz ZYFQKPVFVOASJN-UHFFFAOYSA-N 2 1 357.458 0.946 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000283682656 489290630 /nfs/dbraw/zinc/29/06/30/489290630.db2.gz ZYFQKPVFVOASJN-UHFFFAOYSA-N 2 1 357.458 0.946 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000283706312 489293620 /nfs/dbraw/zinc/29/36/20/489293620.db2.gz IWSSLWORYNQWEW-OAHLLOKOSA-N 2 1 350.463 0.991 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000370125696 489317857 /nfs/dbraw/zinc/31/78/57/489317857.db2.gz JTHNIIPMKQXKLT-OKZBNKHCSA-N 2 1 367.538 0.565 20 0 FCADMP CNC(=O)C[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000298681853 489352539 /nfs/dbraw/zinc/35/25/39/489352539.db2.gz FKYOGILPUXJKHY-HNNXBMFYSA-N 2 1 362.474 0.962 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC1=O ZINC000370473937 489364381 /nfs/dbraw/zinc/36/43/81/489364381.db2.gz TZKRMOOWAFNNJU-JOCBIADPSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1=O ZINC000370473937 489364382 /nfs/dbraw/zinc/36/43/82/489364382.db2.gz TZKRMOOWAFNNJU-JOCBIADPSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1=O ZINC000370473937 489364384 /nfs/dbraw/zinc/36/43/84/489364384.db2.gz TZKRMOOWAFNNJU-JOCBIADPSA-N 2 1 362.518 0.918 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370767302 489399056 /nfs/dbraw/zinc/39/90/56/489399056.db2.gz SQYXTFCKYGEZMK-GOSISDBHSA-N 2 1 364.421 0.723 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000362858862 489402124 /nfs/dbraw/zinc/40/21/24/489402124.db2.gz GTUPVWQLGPLJCE-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000362930409 489406278 /nfs/dbraw/zinc/40/62/78/489406278.db2.gz DOUYMYMMSJAJTJ-DLBZAZTESA-N 2 1 360.458 0.666 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000563544390 491253959 /nfs/dbraw/zinc/25/39/59/491253959.db2.gz MSXSRLDTKGHSPW-KRWDZBQOSA-N 2 1 359.474 0.337 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1C ZINC000286679508 489417150 /nfs/dbraw/zinc/41/71/50/489417150.db2.gz BJONVQJVMCYOFP-CHWSQXEVSA-N 2 1 350.467 0.091 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)CC1 ZINC000570627242 491254144 /nfs/dbraw/zinc/25/41/44/491254144.db2.gz JULAEMBEEWDNRW-UHFFFAOYSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000286732731 489422624 /nfs/dbraw/zinc/42/26/24/489422624.db2.gz FGAITWGTHYOISM-UHFFFAOYSA-N 2 1 364.494 0.435 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCN3C(=O)CNC3=O)CC2)CC1 ZINC000371157738 489458318 /nfs/dbraw/zinc/45/83/18/489458318.db2.gz OREAEEXYVNJRJL-UHFFFAOYSA-N 2 1 365.522 0.666 20 0 FCADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCN1C(=O)CNC1=O ZINC000371157738 489458319 /nfs/dbraw/zinc/45/83/19/489458319.db2.gz OREAEEXYVNJRJL-UHFFFAOYSA-N 3 1 365.522 0.666 20 0 FCADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCN1C(=O)CNC1=O ZINC000371157738 489458322 /nfs/dbraw/zinc/45/83/22/489458322.db2.gz OREAEEXYVNJRJL-UHFFFAOYSA-N 3 1 365.522 0.666 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1=O ZINC000363394465 489462289 /nfs/dbraw/zinc/46/22/89/489462289.db2.gz AQJOZIUNCKAYNK-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1=O ZINC000363394465 489462291 /nfs/dbraw/zinc/46/22/91/489462291.db2.gz AQJOZIUNCKAYNK-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1=O ZINC000363394465 489462293 /nfs/dbraw/zinc/46/22/93/489462293.db2.gz AQJOZIUNCKAYNK-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000371195044 489465185 /nfs/dbraw/zinc/46/51/85/489465185.db2.gz HZFSWVMHAXSHSU-BZUAXINKSA-N 2 1 361.490 0.787 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000371195044 489465187 /nfs/dbraw/zinc/46/51/87/489465187.db2.gz HZFSWVMHAXSHSU-BZUAXINKSA-N 2 1 361.490 0.787 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000371527938 489486980 /nfs/dbraw/zinc/48/69/80/489486980.db2.gz YQENHUCITYOZGQ-FGTMMUONSA-N 2 1 358.486 0.611 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558159 489488128 /nfs/dbraw/zinc/48/81/28/489488128.db2.gz PIELFGUUAUCHCW-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[N@H+](CC)CC2)CC1=O ZINC000371558159 489488129 /nfs/dbraw/zinc/48/81/29/489488129.db2.gz PIELFGUUAUCHCW-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[N@@H+](CC)CC2)CC1=O ZINC000371558159 489488130 /nfs/dbraw/zinc/48/81/30/489488130.db2.gz PIELFGUUAUCHCW-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000423117685 489494982 /nfs/dbraw/zinc/49/49/82/489494982.db2.gz WSCHOEHNPPHUBQ-HOCLYGCPSA-N 2 1 364.515 0.631 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423135449 489496340 /nfs/dbraw/zinc/49/63/40/489496340.db2.gz UAZZRMIHLZODSN-KRWDZBQOSA-N 2 1 369.554 0.303 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423135449 489496342 /nfs/dbraw/zinc/49/63/42/489496342.db2.gz UAZZRMIHLZODSN-KRWDZBQOSA-N 2 1 369.554 0.303 20 0 FCADMP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423148119 489496980 /nfs/dbraw/zinc/49/69/80/489496980.db2.gz UJMAEKGRSRCNGA-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423150021 489497383 /nfs/dbraw/zinc/49/73/83/489497383.db2.gz YLIHAOIUXHYFGJ-ZWKOTPCHSA-N 2 1 374.485 0.296 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423163321 489498293 /nfs/dbraw/zinc/49/82/93/489498293.db2.gz MOZZKHLQOCIATO-QGZVFWFLSA-N 2 1 361.490 0.572 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423170282 489498958 /nfs/dbraw/zinc/49/89/58/489498958.db2.gz XRQBEHOMVBJRTN-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP CC1[C@@H](C(=O)NCC[NH+]2CC=CCC2)[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000451354652 489500329 /nfs/dbraw/zinc/50/03/29/489500329.db2.gz SBUGDLCGEIMZDH-QZTJIDSGSA-N 2 1 360.502 0.625 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000563627440 491259738 /nfs/dbraw/zinc/25/97/38/491259738.db2.gz ALXJAKYLYQVGDY-QAPCUYQASA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000563633969 491260078 /nfs/dbraw/zinc/26/00/78/491260078.db2.gz BLNQVPNDXDVBCV-VXGBXAGGSA-N 2 1 365.400 0.214 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000415413628 489518029 /nfs/dbraw/zinc/51/80/29/489518029.db2.gz IUUCRYZHIGUYFX-LSDHHAIUSA-N 2 1 362.474 0.990 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616489 491260287 /nfs/dbraw/zinc/26/02/87/491260287.db2.gz XGVASRUBVWWOIH-QGZVFWFLSA-N 2 1 368.522 0.596 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616489 491260288 /nfs/dbraw/zinc/26/02/88/491260288.db2.gz XGVASRUBVWWOIH-QGZVFWFLSA-N 2 1 368.522 0.596 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415656976 489540106 /nfs/dbraw/zinc/54/01/06/489540106.db2.gz UNEGUSDXAYMTHQ-AEFFLSMTSA-N 2 1 374.485 0.886 20 0 FCADMP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000372079176 489542366 /nfs/dbraw/zinc/54/23/66/489542366.db2.gz WYUDHPATHSRYSR-IBGZPJMESA-N 2 1 369.506 0.567 20 0 FCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115697 489547186 /nfs/dbraw/zinc/54/71/86/489547186.db2.gz IPKHZQHPDITWDR-WMZOPIPTSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000415870550 489562050 /nfs/dbraw/zinc/56/20/50/489562050.db2.gz TVRBGFPMFSMRMG-MAUKXSAKSA-N 2 1 374.485 0.962 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372234190 489562179 /nfs/dbraw/zinc/56/21/79/489562179.db2.gz SVVTYEDWMVOMAE-IRXDYDNUSA-N 2 1 368.522 0.849 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372234190 489562182 /nfs/dbraw/zinc/56/21/82/489562182.db2.gz SVVTYEDWMVOMAE-IRXDYDNUSA-N 2 1 368.522 0.849 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005278 489567348 /nfs/dbraw/zinc/56/73/48/489567348.db2.gz JMHZBSYIXHFZHN-CHWSQXEVSA-N 2 1 353.433 0.839 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426551266 489574586 /nfs/dbraw/zinc/57/45/86/489574586.db2.gz YWRTURINGRRMBF-DLBZAZTESA-N 2 1 354.495 0.386 20 0 FCADMP COc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000426902000 489585957 /nfs/dbraw/zinc/58/59/57/489585957.db2.gz ZLTYHRFQVFMFGM-LXTVHRRPSA-N 2 1 363.510 0.513 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000426902000 489585961 /nfs/dbraw/zinc/58/59/61/489585961.db2.gz ZLTYHRFQVFMFGM-LXTVHRRPSA-N 2 1 363.510 0.513 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000426902000 489585965 /nfs/dbraw/zinc/58/59/65/489585965.db2.gz ZLTYHRFQVFMFGM-LXTVHRRPSA-N 2 1 363.510 0.513 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000555674638 491265058 /nfs/dbraw/zinc/26/50/58/491265058.db2.gz NEBOMIHXXZYNKR-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1)N1CCCC1 ZINC000427264983 489599747 /nfs/dbraw/zinc/59/97/47/489599747.db2.gz KRGPNJJIYRCMSF-QGZVFWFLSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1)N1CCCC1 ZINC000427264983 489599748 /nfs/dbraw/zinc/59/97/48/489599748.db2.gz KRGPNJJIYRCMSF-QGZVFWFLSA-N 2 1 350.507 0.923 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)n2)CC1 ZINC000427313999 489602525 /nfs/dbraw/zinc/60/25/25/489602525.db2.gz LEQCGEKITCHGDL-HOCLYGCPSA-N 2 1 374.489 0.641 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000427487723 489610946 /nfs/dbraw/zinc/61/09/46/489610946.db2.gz NGTWWGQYQSAJAY-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000427487723 489610951 /nfs/dbraw/zinc/61/09/51/489610951.db2.gz NGTWWGQYQSAJAY-IAGOWNOFSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCO1 ZINC000427864933 489624635 /nfs/dbraw/zinc/62/46/35/489624635.db2.gz NJFAUUFIGDBEGK-KRWDZBQOSA-N 2 1 360.458 0.798 20 0 FCADMP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000416808469 489630162 /nfs/dbraw/zinc/63/01/62/489630162.db2.gz PAFBVERNKIKDCL-MRXNPFEDSA-N 2 1 353.511 0.711 20 0 FCADMP COC[C@@]1(CNC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000416933701 489634297 /nfs/dbraw/zinc/63/42/97/489634297.db2.gz BMZGOKWRGBIDEM-AEFFLSMTSA-N 2 1 356.511 0.801 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000416940971 489634613 /nfs/dbraw/zinc/63/46/13/489634613.db2.gz BAHHSWMODZZGID-MRXNPFEDSA-N 2 1 361.494 0.288 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416944617 489634916 /nfs/dbraw/zinc/63/49/16/489634916.db2.gz GVKJMNCFGCEKQS-CVEARBPZSA-N 2 1 361.494 0.558 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416948390 489635666 /nfs/dbraw/zinc/63/56/66/489635666.db2.gz KGFMFZJMFOMGAH-SJORKVTESA-N 2 1 373.505 0.525 20 0 FCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416960432 489636920 /nfs/dbraw/zinc/63/69/20/489636920.db2.gz NZNGVPNJTZBDJZ-JKSUJKDBSA-N 2 1 361.494 0.381 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417047634 489639930 /nfs/dbraw/zinc/63/99/30/489639930.db2.gz DDBYYJCNVXHTJR-UHFFFAOYSA-N 2 1 353.511 0.938 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1=O ZINC000428543956 489652915 /nfs/dbraw/zinc/65/29/15/489652915.db2.gz IWBWCWZCPYSBOU-AEFFLSMTSA-N 2 1 374.485 0.602 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542250 489657538 /nfs/dbraw/zinc/65/75/38/489657538.db2.gz DHAVVUVENRVNHS-QAPCUYQASA-N 2 1 373.501 0.887 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000417543685 489657729 /nfs/dbraw/zinc/65/77/29/489657729.db2.gz GHUOZRRLQSKRBI-QZTJIDSGSA-N 2 1 373.501 0.935 20 0 FCADMP CC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417544405 489657748 /nfs/dbraw/zinc/65/77/48/489657748.db2.gz HOUODUFWKJLQSK-KRWDZBQOSA-N 2 1 361.490 0.793 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000428624544 489658395 /nfs/dbraw/zinc/65/83/95/489658395.db2.gz IVFQYYBBNFOJEH-MSOLQXFVSA-N 2 1 358.486 0.960 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582719 489658847 /nfs/dbraw/zinc/65/88/47/489658847.db2.gz JFDFSSLUYKBHEK-KBPBESRZSA-N 2 1 365.444 0.996 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000457928019 489663551 /nfs/dbraw/zinc/66/35/51/489663551.db2.gz IRMWIKMWBSZWCS-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000457928019 489663555 /nfs/dbraw/zinc/66/35/55/489663555.db2.gz IRMWIKMWBSZWCS-KRWDZBQOSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417751628 489664173 /nfs/dbraw/zinc/66/41/73/489664173.db2.gz ZEMKVHMBUUCQAD-IAGOWNOFSA-N 2 1 360.506 0.891 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417742807 489664180 /nfs/dbraw/zinc/66/41/80/489664180.db2.gz KSDXJNLJFKVTNN-IXDOHACOSA-N 2 1 360.506 0.971 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417753361 489664565 /nfs/dbraw/zinc/66/45/65/489664565.db2.gz OLKPJLPTMCDJGY-SJORKVTESA-N 2 1 356.511 0.883 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417821822 489667579 /nfs/dbraw/zinc/66/75/79/489667579.db2.gz WKIRNBJYMCWMCV-CYBMUJFWSA-N 2 1 353.433 0.854 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000563804475 491269963 /nfs/dbraw/zinc/26/99/63/491269963.db2.gz OJVLPDNXUCEYMF-TWMKSMIVSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000563804475 491269964 /nfs/dbraw/zinc/26/99/64/491269964.db2.gz OJVLPDNXUCEYMF-TWMKSMIVSA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417945817 489673345 /nfs/dbraw/zinc/67/33/45/489673345.db2.gz XXTPIGKNMOICCO-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458193289 489673426 /nfs/dbraw/zinc/67/34/26/489673426.db2.gz FPGCPXRHDCMVGD-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458193289 489673429 /nfs/dbraw/zinc/67/34/29/489673429.db2.gz FPGCPXRHDCMVGD-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458193289 489673433 /nfs/dbraw/zinc/67/34/33/489673433.db2.gz FPGCPXRHDCMVGD-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458233855 489674275 /nfs/dbraw/zinc/67/42/75/489674275.db2.gz JGKHACJXLFSQNI-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458233855 489674279 /nfs/dbraw/zinc/67/42/79/489674279.db2.gz JGKHACJXLFSQNI-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458239469 489674818 /nfs/dbraw/zinc/67/48/18/489674818.db2.gz MSDMPRJSUSBHRZ-IYBDPMFKSA-N 2 1 356.511 0.584 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418075437 489678114 /nfs/dbraw/zinc/67/81/14/489678114.db2.gz PRDZSWWQLDJBCG-KRWDZBQOSA-N 2 1 350.463 0.240 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458354963 489678726 /nfs/dbraw/zinc/67/87/26/489678726.db2.gz IGPMFMSKYVQKNC-IYBDPMFKSA-N 2 1 370.538 0.972 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000458372306 489679530 /nfs/dbraw/zinc/67/95/30/489679530.db2.gz QQRNVPBOFQBUKZ-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000458372306 489679535 /nfs/dbraw/zinc/67/95/35/489679535.db2.gz QQRNVPBOFQBUKZ-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418198902 489684754 /nfs/dbraw/zinc/68/47/54/489684754.db2.gz MMVYSFOEZLBGHO-HOTGVXAUSA-N 2 1 353.511 0.569 20 0 FCADMP C[NH2+]CCCNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418275959 489687527 /nfs/dbraw/zinc/68/75/27/489687527.db2.gz DWKGJIKOZPFTJS-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP C[NH2+]CCCNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418275959 489687532 /nfs/dbraw/zinc/68/75/32/489687532.db2.gz DWKGJIKOZPFTJS-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000418288488 489688887 /nfs/dbraw/zinc/68/88/87/489688887.db2.gz IGWXEIREEAJYSX-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000418289104 489688906 /nfs/dbraw/zinc/68/89/06/489688906.db2.gz OAGOVCZFQCAGPI-KZNAEPCWSA-N 2 1 367.538 0.565 20 0 FCADMP CC[NH2+]CCNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000418314698 489691061 /nfs/dbraw/zinc/69/10/61/489691061.db2.gz FRLMWIFIPQKVBQ-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709372 489696847 /nfs/dbraw/zinc/69/68/47/489696847.db2.gz CSLVSFRGSVGOHX-IAGOWNOFSA-N 2 1 356.511 0.633 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC(C)(C)C[NH+](C)C)C2 ZINC000458749913 489700236 /nfs/dbraw/zinc/70/02/36/489700236.db2.gz HFGDCPHMAHKJTD-GOOCMWNKSA-N 2 1 353.511 0.709 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418478016 489700824 /nfs/dbraw/zinc/70/08/24/489700824.db2.gz WGAZYMCVOFHAGO-HRCADAONSA-N 2 1 356.511 0.881 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418478016 489700827 /nfs/dbraw/zinc/70/08/27/489700827.db2.gz WGAZYMCVOFHAGO-HRCADAONSA-N 2 1 356.511 0.881 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418482707 489701101 /nfs/dbraw/zinc/70/11/01/489701101.db2.gz BISVCOXPKBTFNJ-QZTJIDSGSA-N 2 1 364.490 0.405 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391892 489705289 /nfs/dbraw/zinc/70/52/89/489705289.db2.gz WTRNFGAFSLGLRX-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469391892 489705295 /nfs/dbraw/zinc/70/52/95/489705295.db2.gz WTRNFGAFSLGLRX-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469391892 489705297 /nfs/dbraw/zinc/70/52/97/489705297.db2.gz WTRNFGAFSLGLRX-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469391892 489705300 /nfs/dbraw/zinc/70/53/00/489705300.db2.gz WTRNFGAFSLGLRX-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP CN1C(=O)N[C@@]2(CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1=O ZINC000563852408 491272667 /nfs/dbraw/zinc/27/26/67/491272667.db2.gz FPYZFXIMRLFOKU-LJQANCHMSA-N 2 1 358.442 0.645 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418637340 489714827 /nfs/dbraw/zinc/71/48/27/489714827.db2.gz NIHTZNIBWIZMOW-GOSISDBHSA-N 2 1 355.527 0.470 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000563864019 491273519 /nfs/dbraw/zinc/27/35/19/491273519.db2.gz FRFVMSXJDZWAPH-IKGGRYGDSA-N 2 1 358.442 0.804 20 0 FCADMP CCC[C@H]1CN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418660016 489716678 /nfs/dbraw/zinc/71/66/78/489716678.db2.gz WRLFDAXVVRCHGB-FUHWJXTLSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000375490733 489718658 /nfs/dbraw/zinc/71/86/58/489718658.db2.gz OGPIBMDHIDESEO-CABCVRRESA-N 2 1 364.494 1.069 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000375490733 489718661 /nfs/dbraw/zinc/71/86/61/489718661.db2.gz OGPIBMDHIDESEO-CABCVRRESA-N 2 1 364.494 1.069 20 0 FCADMP CCO[C@@H]1COC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000459119816 489718691 /nfs/dbraw/zinc/71/86/91/489718691.db2.gz NWHSQJWKBVQFBZ-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000459152760 489720679 /nfs/dbraw/zinc/72/06/79/489720679.db2.gz JDRBWOSGGXZIAK-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000459152760 489720683 /nfs/dbraw/zinc/72/06/83/489720683.db2.gz JDRBWOSGGXZIAK-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000459152760 489720687 /nfs/dbraw/zinc/72/06/87/489720687.db2.gz JDRBWOSGGXZIAK-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418786729 489726729 /nfs/dbraw/zinc/72/67/29/489726729.db2.gz JFAHBSKQBLMLRA-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418786729 489726731 /nfs/dbraw/zinc/72/67/31/489726731.db2.gz JFAHBSKQBLMLRA-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP Cn1c2ncn(CC[N@@H+](CCC[NH3+])CC3CCCC3)c2c(=O)n(C)c1=O ZINC000489856319 489731945 /nfs/dbraw/zinc/73/19/45/489731945.db2.gz JVKWYPSJSCBKOH-UHFFFAOYSA-N 2 1 362.478 0.275 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418816059 489735148 /nfs/dbraw/zinc/73/51/48/489735148.db2.gz LLGVQQXUEXJLGV-OAHLLOKOSA-N 2 1 357.458 0.931 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC000563888368 491274940 /nfs/dbraw/zinc/27/49/40/491274940.db2.gz JJYLDELVVBZJKP-MRXNPFEDSA-N 2 1 367.515 0.442 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418825164 489740462 /nfs/dbraw/zinc/74/04/62/489740462.db2.gz UBZSPQYLIUSATH-MBNYWOFBSA-N 2 1 351.451 0.173 20 0 FCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000430571653 489747243 /nfs/dbraw/zinc/74/72/43/489747243.db2.gz OQCBZBAGZOPEAU-CYBMUJFWSA-N 2 1 350.467 0.129 20 0 FCADMP [NH3+]C1CCC(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418838391 489748775 /nfs/dbraw/zinc/74/87/75/489748775.db2.gz VDWYMAMZGYPWGL-UHFFFAOYSA-N 2 1 366.506 0.524 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000570991089 491278649 /nfs/dbraw/zinc/27/86/49/491278649.db2.gz TXQDWFYYGDVKCC-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608212 489752373 /nfs/dbraw/zinc/75/23/73/489752373.db2.gz DTBFLYKDOFQQFR-HOCLYGCPSA-N 2 1 362.474 0.487 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430613241 489753764 /nfs/dbraw/zinc/75/37/64/489753764.db2.gz UUJGIILNMIMCFB-BFYDXBDKSA-N 2 1 374.485 0.802 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000418850786 489756445 /nfs/dbraw/zinc/75/64/45/489756445.db2.gz OOCJHWQIPAUBKE-LZWOXQAQSA-N 2 1 362.474 0.610 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000418851918 489756506 /nfs/dbraw/zinc/75/65/06/489756506.db2.gz QEWNUFUETUPRHD-HOCLYGCPSA-N 2 1 362.474 0.625 20 0 FCADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624232 489756698 /nfs/dbraw/zinc/75/66/98/489756698.db2.gz OFKXAUBYTYLFKK-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000430628682 489757720 /nfs/dbraw/zinc/75/77/20/489757720.db2.gz PBEQBISKRYGCOB-ZDUSSCGKSA-N 2 1 352.504 0.714 20 0 FCADMP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000430628682 489757724 /nfs/dbraw/zinc/75/77/24/489757724.db2.gz PBEQBISKRYGCOB-ZDUSSCGKSA-N 2 1 352.504 0.714 20 0 FCADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626820 489757898 /nfs/dbraw/zinc/75/78/98/489757898.db2.gz SHRREHLPTIUKHF-INIZCTEOSA-N 2 1 374.485 0.761 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418854356 489758250 /nfs/dbraw/zinc/75/82/50/489758250.db2.gz SZPAJBXTTIMUMX-LZWOXQAQSA-N 2 1 360.458 0.092 20 0 FCADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631181 489758875 /nfs/dbraw/zinc/75/88/75/489758875.db2.gz UFRAWGKODSBVLF-SFHVURJKSA-N 2 1 358.486 0.755 20 0 FCADMP C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH2+]CC1 ZINC000430634766 489759153 /nfs/dbraw/zinc/75/91/53/489759153.db2.gz SVIVGLSKPHIFBR-UHFFFAOYSA-N 2 1 358.442 0.426 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000418856547 489759392 /nfs/dbraw/zinc/75/93/92/489759392.db2.gz XCOCHUTYUKULFW-ZBFHGGJFSA-N 2 1 362.474 0.672 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649016 489761673 /nfs/dbraw/zinc/76/16/73/489761673.db2.gz RSFCUIPRRBINHA-SWLSCSKDSA-N 2 1 354.476 0.864 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649016 489761675 /nfs/dbraw/zinc/76/16/75/489761675.db2.gz RSFCUIPRRBINHA-SWLSCSKDSA-N 2 1 354.476 0.864 20 0 FCADMP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430643777 489761773 /nfs/dbraw/zinc/76/17/73/489761773.db2.gz SFVHUUUQUGMXSS-ZDUSSCGKSA-N 2 1 365.503 0.075 20 0 FCADMP CNC(=O)Cc1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430643777 489761778 /nfs/dbraw/zinc/76/17/78/489761778.db2.gz SFVHUUUQUGMXSS-ZDUSSCGKSA-N 2 1 365.503 0.075 20 0 FCADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430646511 489762169 /nfs/dbraw/zinc/76/21/69/489762169.db2.gz WHXICVLVXDKXBI-QGZVFWFLSA-N 2 1 362.474 0.236 20 0 FCADMP Cc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430718007 489766513 /nfs/dbraw/zinc/76/65/13/489766513.db2.gz FYPPVHGRXRDCSU-STQMWFEESA-N 2 1 350.467 0.038 20 0 FCADMP Cc1c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430718007 489766515 /nfs/dbraw/zinc/76/65/15/489766515.db2.gz FYPPVHGRXRDCSU-STQMWFEESA-N 2 1 350.467 0.038 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871083 489767900 /nfs/dbraw/zinc/76/79/00/489767900.db2.gz ZLHRPUUOXZOWMF-FXAWDEMLSA-N 2 1 358.486 0.883 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000418874526 489768656 /nfs/dbraw/zinc/76/86/56/489768656.db2.gz ZYVWTTYIAWOXNA-CVEARBPZSA-N 2 1 368.522 0.498 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000474555736 489769474 /nfs/dbraw/zinc/76/94/74/489769474.db2.gz IUDMENRGNWRSOM-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000474555736 489769480 /nfs/dbraw/zinc/76/94/80/489769480.db2.gz IUDMENRGNWRSOM-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP Cc1c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430770532 489769623 /nfs/dbraw/zinc/76/96/23/489769623.db2.gz SHJUBUGGXUXFAX-CYBMUJFWSA-N 2 1 350.467 0.352 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000430880598 489774135 /nfs/dbraw/zinc/77/41/35/489774135.db2.gz USSOAALCAVHPDW-HOTGVXAUSA-N 2 1 360.458 0.701 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459894669 489783863 /nfs/dbraw/zinc/78/38/63/489783863.db2.gz IRJXHCQFHHXCQF-OALUTQOASA-N 2 1 372.513 0.987 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000418911853 489787225 /nfs/dbraw/zinc/78/72/25/489787225.db2.gz CBDWGSFZKSFYQB-BZUAXINKSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000459913722 489790450 /nfs/dbraw/zinc/79/04/50/489790450.db2.gz WWFPYGVIJMJNGY-MRXNPFEDSA-N 2 1 370.538 0.336 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000459913722 489790455 /nfs/dbraw/zinc/79/04/55/489790455.db2.gz WWFPYGVIJMJNGY-MRXNPFEDSA-N 2 1 370.538 0.336 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000459920170 489793196 /nfs/dbraw/zinc/79/31/96/489793196.db2.gz MVEDZTSSQWDJMD-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000418928232 489793903 /nfs/dbraw/zinc/79/39/03/489793903.db2.gz URBFDGQKUOJWJO-ARFHVFGLSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000418928235 489794299 /nfs/dbraw/zinc/79/42/99/489794299.db2.gz URBFDGQKUOJWJO-BZUAXINKSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418942233 489798425 /nfs/dbraw/zinc/79/84/25/489798425.db2.gz ASEKDJQJENSZHO-NKKGCODLSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000418955609 489803159 /nfs/dbraw/zinc/80/31/59/489803159.db2.gz XZJMDZNRMSLZHW-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418970104 489807481 /nfs/dbraw/zinc/80/74/81/489807481.db2.gz WCHDMDIFSBTAKO-RPCCPQHDSA-N 2 1 362.449 0.678 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459994355 489812329 /nfs/dbraw/zinc/81/23/29/489812329.db2.gz UWLSSNVMZGIJFD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459994355 489812335 /nfs/dbraw/zinc/81/23/35/489812335.db2.gz UWLSSNVMZGIJFD-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419005940 489815508 /nfs/dbraw/zinc/81/55/08/489815508.db2.gz SCIYZRLEFHFJFU-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419023094 489821780 /nfs/dbraw/zinc/82/17/80/489821780.db2.gz VQCHSAMIRGHZJT-UHFFFAOYSA-N 2 1 356.417 0.855 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419024773 489822763 /nfs/dbraw/zinc/82/27/63/489822763.db2.gz LANVJDDPBJQJSA-ZHCJQAHYSA-N 2 1 350.507 0.727 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000492275611 489823716 /nfs/dbraw/zinc/82/37/16/489823716.db2.gz XOVSWOFODINJLG-OAHLLOKOSA-N 2 1 371.551 0.277 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000492275611 489823718 /nfs/dbraw/zinc/82/37/18/489823718.db2.gz XOVSWOFODINJLG-OAHLLOKOSA-N 2 1 371.551 0.277 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419027941 489824136 /nfs/dbraw/zinc/82/41/36/489824136.db2.gz PGKBZZAVOKJRFH-QXSJWSMHSA-N 2 1 352.523 0.973 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000419040144 489829933 /nfs/dbraw/zinc/82/99/33/489829933.db2.gz MDHSTXUGNMSKEK-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000419045982 489833284 /nfs/dbraw/zinc/83/32/84/489833284.db2.gz WZTPNJWLGVVXMS-PMPSAXMXSA-N 2 1 356.511 0.339 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050700 489835147 /nfs/dbraw/zinc/83/51/47/489835147.db2.gz YUYCRGTWOQHONG-HPBDAGMYSA-N 2 1 356.470 0.758 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000419059970 489839058 /nfs/dbraw/zinc/83/90/58/489839058.db2.gz DUXOHKFNFJKDMS-DGKWVBSXSA-N 2 1 354.495 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000419059970 489839064 /nfs/dbraw/zinc/83/90/64/489839064.db2.gz DUXOHKFNFJKDMS-DGKWVBSXSA-N 2 1 354.495 0.377 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000460061070 489839010 /nfs/dbraw/zinc/83/90/10/489839010.db2.gz LZYUYROCBJFVNF-WBVHZDCISA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000460061070 489839014 /nfs/dbraw/zinc/83/90/14/489839014.db2.gz LZYUYROCBJFVNF-WBVHZDCISA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419061092 489839392 /nfs/dbraw/zinc/83/93/92/489839392.db2.gz FTPNXBPUDNGJHW-KBUPBQIOSA-N 2 1 354.495 0.377 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419073854 489846498 /nfs/dbraw/zinc/84/64/98/489846498.db2.gz CXUKXUBKWHPTPE-BZUAXINKSA-N 2 1 354.495 0.332 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419088246 489851858 /nfs/dbraw/zinc/85/18/58/489851858.db2.gz BEIVTHRVYUXPON-CQSZACIVSA-N 2 1 372.391 0.732 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419088246 489851863 /nfs/dbraw/zinc/85/18/63/489851863.db2.gz BEIVTHRVYUXPON-CQSZACIVSA-N 2 1 372.391 0.732 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419091391 489853264 /nfs/dbraw/zinc/85/32/64/489853264.db2.gz GNDKGQKYGVCTBG-CQSZACIVSA-N 2 1 372.391 0.813 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419091391 489853267 /nfs/dbraw/zinc/85/32/67/489853267.db2.gz GNDKGQKYGVCTBG-CQSZACIVSA-N 2 1 372.391 0.813 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)[nH+]c1 ZINC000419099572 489854761 /nfs/dbraw/zinc/85/47/61/489854761.db2.gz PMDKLMKABZUHON-UHFFFAOYSA-N 2 1 361.490 1.476 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000460264113 489859080 /nfs/dbraw/zinc/85/90/80/489859080.db2.gz VZLUETOURVPOLY-IBGZPJMESA-N 2 1 364.490 0.883 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)[NH+]1CCOCC1 ZINC000419111979 489860150 /nfs/dbraw/zinc/86/01/50/489860150.db2.gz DVUIJUVRCDWEQY-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000476041182 489863966 /nfs/dbraw/zinc/86/39/66/489863966.db2.gz LGFKQSGVQLRWIF-SFHVURJKSA-N 2 1 369.554 0.502 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000476041182 489863968 /nfs/dbraw/zinc/86/39/68/489863968.db2.gz LGFKQSGVQLRWIF-SFHVURJKSA-N 2 1 369.554 0.502 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000476041182 489863969 /nfs/dbraw/zinc/86/39/69/489863969.db2.gz LGFKQSGVQLRWIF-SFHVURJKSA-N 2 1 369.554 0.502 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119842 489864411 /nfs/dbraw/zinc/86/44/11/489864411.db2.gz PLEDHHODYVVYKY-DOTOQJQBSA-N 2 1 368.522 0.355 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CC[NH2+]CC1 ZINC000419121096 489865152 /nfs/dbraw/zinc/86/51/52/489865152.db2.gz ABBWVYSCJCXLBU-CQSZACIVSA-N 2 1 350.488 0.508 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433122649 489867667 /nfs/dbraw/zinc/86/76/67/489867667.db2.gz WOPTXGYGBSUEMO-UHFFFAOYSA-N 3 1 353.555 0.580 20 0 FCADMP CN1CCN(c2ncccc2CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166275 489869567 /nfs/dbraw/zinc/86/95/67/489869567.db2.gz XGCZYOSVFBFDPL-UHFFFAOYSA-N 2 1 374.533 0.653 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419983593 489873013 /nfs/dbraw/zinc/87/30/13/489873013.db2.gz CHTSTUYKZRXLJC-INIZCTEOSA-N 2 1 361.490 0.121 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993320 489875574 /nfs/dbraw/zinc/87/55/74/489875574.db2.gz FBRGOAMOFKOWJA-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433334987 489876291 /nfs/dbraw/zinc/87/62/91/489876291.db2.gz JQIIVYMRRSPVPL-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419995802 489876332 /nfs/dbraw/zinc/87/63/32/489876332.db2.gz IRZFSHQSHQYTIK-KFWWJZLASA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413178 489882688 /nfs/dbraw/zinc/88/26/88/489882688.db2.gz WASYFEKPLFRIRM-ZWKOTPCHSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413178 489882690 /nfs/dbraw/zinc/88/26/90/489882690.db2.gz WASYFEKPLFRIRM-ZWKOTPCHSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413178 489882692 /nfs/dbraw/zinc/88/26/92/489882692.db2.gz WASYFEKPLFRIRM-ZWKOTPCHSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030661 489887200 /nfs/dbraw/zinc/88/72/00/489887200.db2.gz GPWDWFKXPXHSTG-KBUPBQIOSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000433458760 489887235 /nfs/dbraw/zinc/88/72/35/489887235.db2.gz UXJMUPXBTGZDNW-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458760 489887238 /nfs/dbraw/zinc/88/72/38/489887238.db2.gz UXJMUPXBTGZDNW-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458760 489887242 /nfs/dbraw/zinc/88/72/42/489887242.db2.gz UXJMUPXBTGZDNW-SJORKVTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433470149 489888342 /nfs/dbraw/zinc/88/83/42/489888342.db2.gz YGWVWOTXMGEDSS-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433470149 489888344 /nfs/dbraw/zinc/88/83/44/489888344.db2.gz YGWVWOTXMGEDSS-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433470149 489888349 /nfs/dbraw/zinc/88/83/49/489888349.db2.gz YGWVWOTXMGEDSS-QZTJIDSGSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420041751 489890680 /nfs/dbraw/zinc/89/06/80/489890680.db2.gz QAQFBXOOZLTSKW-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420041751 489890685 /nfs/dbraw/zinc/89/06/85/489890685.db2.gz QAQFBXOOZLTSKW-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCC[NH+]1CCSCC1 ZINC000420043447 489891940 /nfs/dbraw/zinc/89/19/40/489891940.db2.gz PIPDZHDIBGVXDN-UHFFFAOYSA-N 2 1 356.536 0.580 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420050588 489893634 /nfs/dbraw/zinc/89/36/34/489893634.db2.gz ZEJJDIAAOQADSN-QLFBSQMISA-N 2 1 354.495 0.406 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070579 489903564 /nfs/dbraw/zinc/90/35/64/489903564.db2.gz JUFHETCAOFFAFG-QGZVFWFLSA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070579 489903567 /nfs/dbraw/zinc/90/35/67/489903567.db2.gz JUFHETCAOFFAFG-QGZVFWFLSA-N 2 1 367.538 0.105 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H](C)O1 ZINC000420087377 489907210 /nfs/dbraw/zinc/90/72/10/489907210.db2.gz FRCFPYLABJCILC-KFWWJZLASA-N 2 1 352.479 0.084 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093275 489909627 /nfs/dbraw/zinc/90/96/27/489909627.db2.gz PKKDCGMVDRUVCY-KRWDZBQOSA-N 2 1 373.501 0.892 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000461521859 489916180 /nfs/dbraw/zinc/91/61/80/489916180.db2.gz VWRSXNFTROJMOA-GOSISDBHSA-N 2 1 365.478 0.278 20 0 FCADMP COCC[NH+]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000461534833 489917035 /nfs/dbraw/zinc/91/70/35/489917035.db2.gz KONHIYLAXZEVCW-UHFFFAOYSA-N 2 1 365.478 0.496 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000377576799 489924214 /nfs/dbraw/zinc/92/42/14/489924214.db2.gz GFNBHXZDOODTID-IAGOWNOFSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000420133005 489924528 /nfs/dbraw/zinc/92/45/28/489924528.db2.gz SXCFBORLKKWULB-FUHWJXTLSA-N 2 1 358.486 0.630 20 0 FCADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3CN(S(C)(=O)=O)C3)sc2C1 ZINC000495182524 489929503 /nfs/dbraw/zinc/92/95/03/489929503.db2.gz UWNDGDWWYRHHDW-UHFFFAOYSA-N 2 1 358.533 0.891 20 0 FCADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3CN(S(C)(=O)=O)C3)sc2C1 ZINC000495182524 489929508 /nfs/dbraw/zinc/92/95/08/489929508.db2.gz UWNDGDWWYRHHDW-UHFFFAOYSA-N 2 1 358.533 0.891 20 0 FCADMP CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420146821 489930070 /nfs/dbraw/zinc/93/00/70/489930070.db2.gz BIORULHMSZDNPQ-OAHLLOKOSA-N 2 1 368.428 0.820 20 0 FCADMP CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420146821 489930075 /nfs/dbraw/zinc/93/00/75/489930075.db2.gz BIORULHMSZDNPQ-OAHLLOKOSA-N 2 1 368.428 0.820 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420152497 489933138 /nfs/dbraw/zinc/93/31/38/489933138.db2.gz DXZXYWJDDPDMDF-CQSZACIVSA-N 2 1 352.504 0.549 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420157578 489934835 /nfs/dbraw/zinc/93/48/35/489934835.db2.gz PFJMARZUKFXJPE-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420157578 489934838 /nfs/dbraw/zinc/93/48/38/489934838.db2.gz PFJMARZUKFXJPE-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420159966 489936797 /nfs/dbraw/zinc/93/67/97/489936797.db2.gz ZZIBAHISLQFYNZ-UHFFFAOYSA-N 2 1 360.380 0.426 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000420183575 489944572 /nfs/dbraw/zinc/94/45/72/489944572.db2.gz HNFBENCQIGTRHY-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420187137 489945054 /nfs/dbraw/zinc/94/50/54/489945054.db2.gz LUTQRTBYLMNLLM-SFHVURJKSA-N 2 1 374.485 0.216 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420214627 489954575 /nfs/dbraw/zinc/95/45/75/489954575.db2.gz ZPEHUBIWJDFFEH-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329217 489963255 /nfs/dbraw/zinc/96/32/55/489963255.db2.gz OCANHMFSNHPMRG-KBPBESRZSA-N 2 1 363.462 0.857 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000420346536 489965252 /nfs/dbraw/zinc/96/52/52/489965252.db2.gz DDZXLMHHXBXMMI-INIZCTEOSA-N 2 1 350.438 0.300 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000420346536 489965255 /nfs/dbraw/zinc/96/52/55/489965255.db2.gz DDZXLMHHXBXMMI-INIZCTEOSA-N 2 1 350.438 0.300 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000420348344 489965295 /nfs/dbraw/zinc/96/52/95/489965295.db2.gz KYUIUBBSDXYJBE-SFHVURJKSA-N 2 1 357.502 0.145 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000420348344 489965298 /nfs/dbraw/zinc/96/52/98/489965298.db2.gz KYUIUBBSDXYJBE-SFHVURJKSA-N 2 1 357.502 0.145 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000420348481 489965368 /nfs/dbraw/zinc/96/53/68/489965368.db2.gz MAAASRGIIROJIG-QGZVFWFLSA-N 2 1 352.523 0.822 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000420348481 489965371 /nfs/dbraw/zinc/96/53/71/489965371.db2.gz MAAASRGIIROJIG-QGZVFWFLSA-N 2 1 352.523 0.822 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000556064390 491291664 /nfs/dbraw/zinc/29/16/64/491291664.db2.gz YRZHHSWQXXYXBU-QGZVFWFLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000556064390 491291666 /nfs/dbraw/zinc/29/16/66/491291666.db2.gz YRZHHSWQXXYXBU-QGZVFWFLSA-N 2 1 361.490 0.888 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349298 489966271 /nfs/dbraw/zinc/96/62/71/489966271.db2.gz OJOBBXLEHBDTNW-QAPCUYQASA-N 2 1 374.485 0.457 20 0 FCADMP CC(C)N(CCCNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)S(C)(=O)=O ZINC000420362904 489967224 /nfs/dbraw/zinc/96/72/24/489967224.db2.gz NGPQEGGVDNZADC-AWEZNQCLSA-N 2 1 362.540 0.140 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000477639263 489980549 /nfs/dbraw/zinc/98/05/49/489980549.db2.gz FBMQASONTLJSMC-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000478015858 490000785 /nfs/dbraw/zinc/00/07/85/490000785.db2.gz MKCMFHDPIXWEDB-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccnc(C[NH3+])c3)CC2)CC1 ZINC000463492471 490020720 /nfs/dbraw/zinc/02/07/20/490020720.db2.gz TZRNGZGFAGSBED-UHFFFAOYSA-N 2 1 373.501 0.947 20 0 FCADMP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824125 490025178 /nfs/dbraw/zinc/02/51/78/490025178.db2.gz WSTGNLGJJTZVHV-GOEBONIOSA-N 2 1 362.474 0.625 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824125 490025182 /nfs/dbraw/zinc/02/51/82/490025182.db2.gz WSTGNLGJJTZVHV-GOEBONIOSA-N 2 1 362.474 0.625 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420900057 490029200 /nfs/dbraw/zinc/02/92/00/490029200.db2.gz IBRJVRVTOOUVRP-OFLPRAFFSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897324 490029507 /nfs/dbraw/zinc/02/95/07/490029507.db2.gz CJHNNAAAADHIIE-IRXDYDNUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000420897324 490029511 /nfs/dbraw/zinc/02/95/11/490029511.db2.gz CJHNNAAAADHIIE-IRXDYDNUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000420897324 490029514 /nfs/dbraw/zinc/02/95/14/490029514.db2.gz CJHNNAAAADHIIE-IRXDYDNUSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCNS(=O)(=O)CC)CC2)CC1 ZINC000420973044 490036706 /nfs/dbraw/zinc/03/67/06/490036706.db2.gz BVTSKNBDJSGIIL-UHFFFAOYSA-N 2 1 360.568 0.808 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869310 490046836 /nfs/dbraw/zinc/04/68/36/490046836.db2.gz PVLVZEWNVLVPJK-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869310 490046838 /nfs/dbraw/zinc/04/68/38/490046838.db2.gz PVLVZEWNVLVPJK-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869310 490046840 /nfs/dbraw/zinc/04/68/40/490046840.db2.gz PVLVZEWNVLVPJK-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869308 490046923 /nfs/dbraw/zinc/04/69/23/490046923.db2.gz PVLVZEWNVLVPJK-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869308 490046925 /nfs/dbraw/zinc/04/69/25/490046925.db2.gz PVLVZEWNVLVPJK-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000478869308 490046927 /nfs/dbraw/zinc/04/69/27/490046927.db2.gz PVLVZEWNVLVPJK-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000378425144 490062634 /nfs/dbraw/zinc/06/26/34/490062634.db2.gz SQCKNOOMXRZGGS-ZWKOTPCHSA-N 2 1 374.485 0.744 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556122771 491296730 /nfs/dbraw/zinc/29/67/30/491296730.db2.gz DTOGHOYWWVFOLW-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479208260 490074114 /nfs/dbraw/zinc/07/41/14/490074114.db2.gz UOYNRWZXMYYPEP-QGZVFWFLSA-N 2 1 364.465 0.975 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000421534192 490088546 /nfs/dbraw/zinc/08/85/46/490088546.db2.gz ZKTSKAAFXCBHBO-GOSISDBHSA-N 2 1 358.486 0.714 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000421534192 490088549 /nfs/dbraw/zinc/08/85/49/490088549.db2.gz ZKTSKAAFXCBHBO-GOSISDBHSA-N 2 1 358.486 0.714 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000421534192 490088551 /nfs/dbraw/zinc/08/85/51/490088551.db2.gz ZKTSKAAFXCBHBO-GOSISDBHSA-N 2 1 358.486 0.714 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000421534192 490088552 /nfs/dbraw/zinc/08/85/52/490088552.db2.gz ZKTSKAAFXCBHBO-GOSISDBHSA-N 2 1 358.486 0.714 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)cs1 ZINC000545171914 490090767 /nfs/dbraw/zinc/09/07/67/490090767.db2.gz MWRIGMXCALTLFA-KRWDZBQOSA-N 2 1 352.504 0.846 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)cs1 ZINC000545171914 490090768 /nfs/dbraw/zinc/09/07/68/490090768.db2.gz MWRIGMXCALTLFA-KRWDZBQOSA-N 2 1 352.504 0.846 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[N@H+]1C ZINC000506433778 490091765 /nfs/dbraw/zinc/09/17/65/490091765.db2.gz ZPGXMQSCEHOQFL-QAPCUYQASA-N 2 1 372.513 0.801 20 0 FCADMP CC1[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421710174 490098613 /nfs/dbraw/zinc/09/86/13/490098613.db2.gz JFZQCSYQTXRNTN-WNRNVDISSA-N 2 1 364.534 0.974 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148213 490105629 /nfs/dbraw/zinc/10/56/29/490105629.db2.gz OFOIDWBNBNMNDE-IRXDYDNUSA-N 2 1 351.470 0.973 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCOCC1 ZINC000465445870 490121433 /nfs/dbraw/zinc/12/14/33/490121433.db2.gz ZZVCFHJANVEUKP-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000465445870 490121440 /nfs/dbraw/zinc/12/14/40/490121440.db2.gz ZZVCFHJANVEUKP-GOSISDBHSA-N 3 1 369.554 0.766 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000465445870 490121446 /nfs/dbraw/zinc/12/14/46/490121446.db2.gz ZZVCFHJANVEUKP-GOSISDBHSA-N 3 1 369.554 0.766 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@H+]1C1CC1 ZINC000571324422 491300886 /nfs/dbraw/zinc/30/08/86/491300886.db2.gz XBIWMWIBGLRNKR-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324422 491300888 /nfs/dbraw/zinc/30/08/88/491300888.db2.gz XBIWMWIBGLRNKR-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000571324422 491300890 /nfs/dbraw/zinc/30/08/90/491300890.db2.gz XBIWMWIBGLRNKR-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP COC[C@@]1(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000520400867 490142216 /nfs/dbraw/zinc/14/22/16/490142216.db2.gz XJCDCOIBRRAZRT-CRAIPNDOSA-N 2 1 366.531 0.779 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000465863636 490149557 /nfs/dbraw/zinc/14/95/57/490149557.db2.gz HAPWUGVFEMKQHH-HOCLYGCPSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460150 490150940 /nfs/dbraw/zinc/15/09/40/490150940.db2.gz ZAFGTTFMMUEXCN-DOTOQJQBSA-N 2 1 366.506 0.322 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000465949021 490156623 /nfs/dbraw/zinc/15/66/23/490156623.db2.gz CXHHBBAABGQIDG-HUUCEWRRSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000465949021 490156626 /nfs/dbraw/zinc/15/66/26/490156626.db2.gz CXHHBBAABGQIDG-HUUCEWRRSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000465949021 490156636 /nfs/dbraw/zinc/15/66/36/490156636.db2.gz CXHHBBAABGQIDG-HUUCEWRRSA-N 2 1 351.495 0.357 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000422114531 490166869 /nfs/dbraw/zinc/16/68/69/490166869.db2.gz IXOLHGXJIWIGBK-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000422114531 490166874 /nfs/dbraw/zinc/16/68/74/490166874.db2.gz IXOLHGXJIWIGBK-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCN(C)CC1 ZINC000466133539 490168428 /nfs/dbraw/zinc/16/84/28/490168428.db2.gz FJOSIPNAJHNOHG-QGZVFWFLSA-N 2 1 369.554 0.358 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)CN1CC[NH+](C)CC1 ZINC000466133539 490168433 /nfs/dbraw/zinc/16/84/33/490168433.db2.gz FJOSIPNAJHNOHG-QGZVFWFLSA-N 2 1 369.554 0.358 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)CN1CC[NH+](C)CC1 ZINC000466133539 490168437 /nfs/dbraw/zinc/16/84/37/490168437.db2.gz FJOSIPNAJHNOHG-QGZVFWFLSA-N 2 1 369.554 0.358 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000466233895 490172266 /nfs/dbraw/zinc/17/22/66/490172266.db2.gz FUNWMGFUOFRJHC-PVAVHDDUSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000466233895 490172274 /nfs/dbraw/zinc/17/22/74/490172274.db2.gz FUNWMGFUOFRJHC-PVAVHDDUSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000466233895 490172280 /nfs/dbraw/zinc/17/22/80/490172280.db2.gz FUNWMGFUOFRJHC-PVAVHDDUSA-N 2 1 365.522 0.711 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000422126708 490177871 /nfs/dbraw/zinc/17/78/71/490177871.db2.gz XAJNSMJGACKGCZ-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000422130573 490179511 /nfs/dbraw/zinc/17/95/11/490179511.db2.gz GPZAWFSYAFYQRS-MRXNPFEDSA-N 2 1 361.490 0.754 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000422130573 490179520 /nfs/dbraw/zinc/17/95/20/490179520.db2.gz GPZAWFSYAFYQRS-MRXNPFEDSA-N 2 1 361.490 0.754 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000422131635 490180595 /nfs/dbraw/zinc/18/05/95/490180595.db2.gz HHCHQSXQHMRLJW-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000521026828 490215986 /nfs/dbraw/zinc/21/59/86/490215986.db2.gz SJBLMEVMGNSCIA-WBVHZDCISA-N 2 1 372.469 0.970 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000507413866 490218611 /nfs/dbraw/zinc/21/86/11/490218611.db2.gz MVBSIBLFSOXYLU-SFHVURJKSA-N 2 1 369.554 0.408 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000480637121 490219708 /nfs/dbraw/zinc/21/97/08/490219708.db2.gz AWKWHQJYMHYSLG-WFASDCNBSA-N 2 1 357.524 0.823 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000422278500 490223037 /nfs/dbraw/zinc/22/30/37/490223037.db2.gz AFRQPIAREIFGGU-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000422278500 490223045 /nfs/dbraw/zinc/22/30/45/490223045.db2.gz AFRQPIAREIFGGU-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000521137634 490228635 /nfs/dbraw/zinc/22/86/35/490228635.db2.gz YCWFVEVDJLHMNS-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000521137634 490228645 /nfs/dbraw/zinc/22/86/45/490228645.db2.gz YCWFVEVDJLHMNS-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000521273834 490244168 /nfs/dbraw/zinc/24/41/68/490244168.db2.gz IEQDTCNEIWSYQF-RTBURBONSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521370751 490252999 /nfs/dbraw/zinc/25/29/99/490252999.db2.gz IFJPMTCZLPGZRI-WBVHZDCISA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521370751 490253006 /nfs/dbraw/zinc/25/30/06/490253006.db2.gz IFJPMTCZLPGZRI-WBVHZDCISA-N 2 1 364.490 0.053 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000571505321 491312165 /nfs/dbraw/zinc/31/21/65/491312165.db2.gz LRSMAWBRPNXWSB-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517039 491312687 /nfs/dbraw/zinc/31/26/87/491312687.db2.gz ZQHYGRRHTCXUFV-HOCLYGCPSA-N 2 1 359.478 0.385 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)C1CC1 ZINC000571517039 491312689 /nfs/dbraw/zinc/31/26/89/491312689.db2.gz ZQHYGRRHTCXUFV-HOCLYGCPSA-N 2 1 359.478 0.385 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000571548242 491314801 /nfs/dbraw/zinc/31/48/01/491314801.db2.gz QUGKPYXFJSZKDI-INIZCTEOSA-N 2 1 370.538 0.650 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571548242 491314803 /nfs/dbraw/zinc/31/48/03/491314803.db2.gz QUGKPYXFJSZKDI-INIZCTEOSA-N 2 1 370.538 0.650 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571548242 491314806 /nfs/dbraw/zinc/31/48/06/491314806.db2.gz QUGKPYXFJSZKDI-INIZCTEOSA-N 2 1 370.538 0.650 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000571555501 491315786 /nfs/dbraw/zinc/31/57/86/491315786.db2.gz QCIDNWPJPPCSEV-OAHLLOKOSA-N 2 1 350.507 0.991 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000521849553 490303360 /nfs/dbraw/zinc/30/33/60/490303360.db2.gz NWFVMPXDXHKVDE-UHFFFAOYSA-N 2 1 350.467 0.433 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000447979829 490307099 /nfs/dbraw/zinc/30/70/99/490307099.db2.gz BKSOOORWDCORTP-HZPDHXFCSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979829 490307103 /nfs/dbraw/zinc/30/71/03/490307103.db2.gz BKSOOORWDCORTP-HZPDHXFCSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979829 490307111 /nfs/dbraw/zinc/30/71/11/490307111.db2.gz BKSOOORWDCORTP-HZPDHXFCSA-N 2 1 367.538 0.993 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000521884016 490308103 /nfs/dbraw/zinc/30/81/03/490308103.db2.gz VYBATDOVBHVBHS-MRXNPFEDSA-N 2 1 361.490 0.767 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@H](CO)C1 ZINC000447999207 490310657 /nfs/dbraw/zinc/31/06/57/490310657.db2.gz JDSACMABOYQNMD-APWZRJJASA-N 2 1 361.486 0.838 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@H](CO)C1 ZINC000447999207 490310662 /nfs/dbraw/zinc/31/06/62/490310662.db2.gz JDSACMABOYQNMD-APWZRJJASA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@H](CO)C1 ZINC000447999208 490310807 /nfs/dbraw/zinc/31/08/07/490310807.db2.gz JDSACMABOYQNMD-LPHOPBHVSA-N 2 1 361.486 0.838 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@H](CO)C1 ZINC000447999208 490310813 /nfs/dbraw/zinc/31/08/13/490310813.db2.gz JDSACMABOYQNMD-LPHOPBHVSA-N 2 1 361.486 0.838 20 0 FCADMP CC(C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000498594467 490316256 /nfs/dbraw/zinc/31/62/56/490316256.db2.gz WOOLKOZAYROZDN-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000498594467 490316261 /nfs/dbraw/zinc/31/62/61/490316261.db2.gz WOOLKOZAYROZDN-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000448208253 490319947 /nfs/dbraw/zinc/31/99/47/490319947.db2.gz GFHMXHHJESTTPI-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000448208253 490319948 /nfs/dbraw/zinc/31/99/48/490319948.db2.gz GFHMXHHJESTTPI-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000448208253 490319949 /nfs/dbraw/zinc/31/99/49/490319949.db2.gz GFHMXHHJESTTPI-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208250 490319975 /nfs/dbraw/zinc/31/99/75/490319975.db2.gz GFHMXHHJESTTPI-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208250 490319976 /nfs/dbraw/zinc/31/99/76/490319976.db2.gz GFHMXHHJESTTPI-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208250 490319977 /nfs/dbraw/zinc/31/99/77/490319977.db2.gz GFHMXHHJESTTPI-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498643039 490320106 /nfs/dbraw/zinc/32/01/06/490320106.db2.gz AZWVVNAIEHDSTQ-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000498799604 490343446 /nfs/dbraw/zinc/34/34/46/490343446.db2.gz IFNHFRAWYIFUJD-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000498844442 490352179 /nfs/dbraw/zinc/35/21/79/490352179.db2.gz OPGSNQNIWUJGAH-QGZVFWFLSA-N 2 1 350.507 0.849 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000498844442 490352180 /nfs/dbraw/zinc/35/21/80/490352180.db2.gz OPGSNQNIWUJGAH-QGZVFWFLSA-N 2 1 350.507 0.849 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000498844442 490352183 /nfs/dbraw/zinc/35/21/83/490352183.db2.gz OPGSNQNIWUJGAH-QGZVFWFLSA-N 2 1 350.507 0.849 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000422487643 490353578 /nfs/dbraw/zinc/35/35/78/490353578.db2.gz INEUKYIALHHEFX-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422487643 490353585 /nfs/dbraw/zinc/35/35/85/490353585.db2.gz INEUKYIALHHEFX-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422487643 490353592 /nfs/dbraw/zinc/35/35/92/490353592.db2.gz INEUKYIALHHEFX-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000564686851 491320533 /nfs/dbraw/zinc/32/05/33/491320533.db2.gz JOHMPBQKRYIFHL-BZUAXINKSA-N 2 1 366.506 0.369 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522445925 490379322 /nfs/dbraw/zinc/37/93/22/490379322.db2.gz ALFSFZRJUOVBJP-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000522443036 490379343 /nfs/dbraw/zinc/37/93/43/490379343.db2.gz OGOVVYFMTVYUGA-SFHVURJKSA-N 2 1 369.554 0.360 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000522443036 490379351 /nfs/dbraw/zinc/37/93/51/490379351.db2.gz OGOVVYFMTVYUGA-SFHVURJKSA-N 2 1 369.554 0.360 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000522443036 490379356 /nfs/dbraw/zinc/37/93/56/490379356.db2.gz OGOVVYFMTVYUGA-SFHVURJKSA-N 2 1 369.554 0.360 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C(N)=O)cn1 ZINC000448851825 490382641 /nfs/dbraw/zinc/38/26/41/490382641.db2.gz GFCBQFIEZAWVEC-HNNXBMFYSA-N 2 1 361.490 0.977 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484276753 490406344 /nfs/dbraw/zinc/40/63/44/490406344.db2.gz ANRCETLZYAOWBB-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484276757 490406581 /nfs/dbraw/zinc/40/65/81/490406581.db2.gz ANRCETLZYAOWBB-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339897 490408148 /nfs/dbraw/zinc/40/81/48/490408148.db2.gz LNHDOKXVHZPPTM-OXJNMPFZSA-N 2 1 358.486 0.621 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449338308 490409258 /nfs/dbraw/zinc/40/92/58/490409258.db2.gz VCBZOGJXNHRALJ-UKRRQHHQSA-N 2 1 360.458 0.877 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548034686 490410194 /nfs/dbraw/zinc/41/01/94/490410194.db2.gz SPTDXQAYWKJAMA-KRWDZBQOSA-N 2 1 369.554 0.501 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000509718186 490456819 /nfs/dbraw/zinc/45/68/19/490456819.db2.gz XLVQFQNLTPGHOP-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000484705167 490457044 /nfs/dbraw/zinc/45/70/44/490457044.db2.gz SMZOBQHBHLWJAV-CVEARBPZSA-N 2 1 353.511 0.522 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000509811099 490467815 /nfs/dbraw/zinc/46/78/15/490467815.db2.gz JDQDTQALNNPHAC-VYDXJSESSA-N 2 1 356.511 0.339 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000523481630 490467922 /nfs/dbraw/zinc/46/79/22/490467922.db2.gz HZNSCOASKCUNDU-HOTGVXAUSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000535261127 490471594 /nfs/dbraw/zinc/47/15/94/490471594.db2.gz UZKKULVWFJESBM-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909476 490476666 /nfs/dbraw/zinc/47/66/66/490476666.db2.gz SPRCSQBPUANTDF-UKRRQHHQSA-N 2 1 368.503 0.052 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484908914 490478127 /nfs/dbraw/zinc/47/81/27/490478127.db2.gz RXRWGAPRSBGDKH-OLZOCXBDSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484908914 490478138 /nfs/dbraw/zinc/47/81/38/490478138.db2.gz RXRWGAPRSBGDKH-OLZOCXBDSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993184 490487591 /nfs/dbraw/zinc/48/75/91/490487591.db2.gz GZNJBQOZSCQDOE-APWZRJJASA-N 2 1 372.513 0.935 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993184 490487599 /nfs/dbraw/zinc/48/75/99/490487599.db2.gz GZNJBQOZSCQDOE-APWZRJJASA-N 2 1 372.513 0.935 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000523750870 490492253 /nfs/dbraw/zinc/49/22/53/490492253.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC000523750870 490492259 /nfs/dbraw/zinc/49/22/59/490492259.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 1 369.554 0.668 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC000523750870 490492262 /nfs/dbraw/zinc/49/22/62/490492262.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 1 369.554 0.668 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500420749 490514041 /nfs/dbraw/zinc/51/40/41/490514041.db2.gz DUNNPVYJIUBWJK-GASCZTMLSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423017608 490521140 /nfs/dbraw/zinc/52/11/40/490521140.db2.gz WUBOOFFTQGDPBJ-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000500475161 490522355 /nfs/dbraw/zinc/52/23/55/490522355.db2.gz VOFAEXYALFBTLZ-UHFFFAOYSA-N 2 1 372.513 0.974 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423033753 490526237 /nfs/dbraw/zinc/52/62/37/490526237.db2.gz GTHOUPYSMHFRBR-SJLPKXTDSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423041874 490528674 /nfs/dbraw/zinc/52/86/74/490528674.db2.gz XZJHNZNBUAHSDB-FQEVSTJZSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000423040680 490528834 /nfs/dbraw/zinc/52/88/34/490528834.db2.gz USZNDIGXVROAFA-MJGOQNOKSA-N 2 1 372.513 0.817 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423042047 490529152 /nfs/dbraw/zinc/52/91/52/490529152.db2.gz YJYZCHYQDHMYFE-IBGZPJMESA-N 2 1 372.513 0.961 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423061877 490532967 /nfs/dbraw/zinc/53/29/67/490532967.db2.gz RRYASFUVUVXZIY-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063669 490533472 /nfs/dbraw/zinc/53/34/72/490533472.db2.gz XCFAVCCVUXONEE-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063604 490533674 /nfs/dbraw/zinc/53/36/74/490533674.db2.gz WQSDPMSCCYFCIK-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904962 491334887 /nfs/dbraw/zinc/33/48/87/491334887.db2.gz IIUSXUAXWCCRHK-CRAIPNDOSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000564904962 491334890 /nfs/dbraw/zinc/33/48/90/491334890.db2.gz IIUSXUAXWCCRHK-CRAIPNDOSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000485588024 490545600 /nfs/dbraw/zinc/54/56/00/490545600.db2.gz BJWDZVMHFJLDNC-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000485588024 490545604 /nfs/dbraw/zinc/54/56/04/490545604.db2.gz BJWDZVMHFJLDNC-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000485588024 490545610 /nfs/dbraw/zinc/54/56/10/490545610.db2.gz BJWDZVMHFJLDNC-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000485588024 490545614 /nfs/dbraw/zinc/54/56/14/490545614.db2.gz BJWDZVMHFJLDNC-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC000500785843 490553302 /nfs/dbraw/zinc/55/33/02/490553302.db2.gz QVFDOMXUGIGFBB-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000485989326 490579010 /nfs/dbraw/zinc/57/90/10/490579010.db2.gz NHFVYFFPVAEJHM-BDXSIMOUSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000485989326 490579018 /nfs/dbraw/zinc/57/90/18/490579018.db2.gz NHFVYFFPVAEJHM-BDXSIMOUSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000549527691 490587496 /nfs/dbraw/zinc/58/74/96/490587496.db2.gz YEFOETSNRIYUDS-HOTGVXAUSA-N 2 1 374.485 0.457 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000511410160 490592210 /nfs/dbraw/zinc/59/22/10/490592210.db2.gz MYOZHKNERLXMCI-HOCLYGCPSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000511410160 490592215 /nfs/dbraw/zinc/59/22/15/490592215.db2.gz MYOZHKNERLXMCI-HOCLYGCPSA-N 2 1 351.495 0.523 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000511410160 490592218 /nfs/dbraw/zinc/59/22/18/490592218.db2.gz MYOZHKNERLXMCI-HOCLYGCPSA-N 2 1 351.495 0.523 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000486214812 490599213 /nfs/dbraw/zinc/59/92/13/490599213.db2.gz LZLQKPBSCVNLQO-AEFFLSMTSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000486214812 490599214 /nfs/dbraw/zinc/59/92/14/490599214.db2.gz LZLQKPBSCVNLQO-AEFFLSMTSA-N 2 1 364.534 0.977 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000486326638 490610718 /nfs/dbraw/zinc/61/07/18/490610718.db2.gz NWWQYJPXXKLHFO-HUUCEWRRSA-N 2 1 362.478 0.125 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000556849122 491340616 /nfs/dbraw/zinc/34/06/16/491340616.db2.gz HUNRGVAWNJYSLL-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000550102678 490624640 /nfs/dbraw/zinc/62/46/40/490624640.db2.gz AJFNGDBQKYIVFO-JKSUJKDBSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635159 490627302 /nfs/dbraw/zinc/62/73/02/490627302.db2.gz FTTRTQVHPIDRSM-HOTGVXAUSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643391 490629800 /nfs/dbraw/zinc/62/98/00/490629800.db2.gz VWVPXAJFXTWMAS-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501643391 490629803 /nfs/dbraw/zinc/62/98/03/490629803.db2.gz VWVPXAJFXTWMAS-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501643391 490629808 /nfs/dbraw/zinc/62/98/08/490629808.db2.gz VWVPXAJFXTWMAS-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000550132081 490630052 /nfs/dbraw/zinc/63/00/52/490630052.db2.gz AQJBCANMZZEZRC-UHFFFAOYSA-N 2 1 356.536 0.390 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550132574 490630233 /nfs/dbraw/zinc/63/02/33/490630233.db2.gz FDHKTXGZCPBZPU-UHFFFAOYSA-N 2 1 368.522 0.284 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486517812 490642511 /nfs/dbraw/zinc/64/25/11/490642511.db2.gz NCHUNVNYIVVHNZ-NCOADZHNSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486517812 490642517 /nfs/dbraw/zinc/64/25/17/490642517.db2.gz NCHUNVNYIVVHNZ-NCOADZHNSA-N 2 1 366.550 0.983 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486517812 490642524 /nfs/dbraw/zinc/64/25/24/490642524.db2.gz NCHUNVNYIVVHNZ-NCOADZHNSA-N 2 1 366.550 0.983 20 0 FCADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000486581120 490649277 /nfs/dbraw/zinc/64/92/77/490649277.db2.gz RRRKRXRRIUZNFX-GOSISDBHSA-N 2 1 350.507 0.337 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NC(=O)NCc2ccccc2)CC12CCOCC2 ZINC000564988482 491344010 /nfs/dbraw/zinc/34/40/10/491344010.db2.gz JSIPCABRCFCGFT-INIZCTEOSA-N 2 1 360.458 0.700 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccccc2)CC12CCOCC2 ZINC000564988482 491344011 /nfs/dbraw/zinc/34/40/11/491344011.db2.gz JSIPCABRCFCGFT-INIZCTEOSA-N 2 1 360.458 0.700 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3cn4c(n3)SCC4)cn2)CC1 ZINC000526051109 490669441 /nfs/dbraw/zinc/66/94/41/490669441.db2.gz XYMIINJKVYWUIR-UHFFFAOYSA-N 2 1 359.503 0.863 20 0 FCADMP CCN(C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1)S(C)(=O)=O ZINC000564989866 491344388 /nfs/dbraw/zinc/34/43/88/491344388.db2.gz UYIJCQRAHPRCRA-ROUUACIJSA-N 2 1 369.531 0.663 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000513113673 490709754 /nfs/dbraw/zinc/70/97/54/490709754.db2.gz QSLZCZFGOQEKBZ-UHFFFAOYSA-N 2 1 352.523 0.729 20 0 FCADMP CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000513179430 490713051 /nfs/dbraw/zinc/71/30/51/490713051.db2.gz XYFLWSYTHHIGFO-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000557011098 491349284 /nfs/dbraw/zinc/34/92/84/491349284.db2.gz BAUFZTACWUEDNP-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000513373159 490726250 /nfs/dbraw/zinc/72/62/50/490726250.db2.gz QMEMSUCCUHYVIB-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478350 490733379 /nfs/dbraw/zinc/73/33/79/490733379.db2.gz XEVMISRSMLQDIE-HOTGVXAUSA-N 2 1 370.538 0.696 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)CC1=O ZINC000538922478 490757319 /nfs/dbraw/zinc/75/73/19/490757319.db2.gz VTDAAIPWGBPDPN-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CC1=O ZINC000538922478 490757323 /nfs/dbraw/zinc/75/73/23/490757323.db2.gz VTDAAIPWGBPDPN-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1=O ZINC000538922478 490757326 /nfs/dbraw/zinc/75/73/26/490757326.db2.gz VTDAAIPWGBPDPN-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)CC1=O ZINC000538922479 490757513 /nfs/dbraw/zinc/75/75/13/490757513.db2.gz VTDAAIPWGBPDPN-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1=O ZINC000538922479 490757517 /nfs/dbraw/zinc/75/75/17/490757517.db2.gz VTDAAIPWGBPDPN-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1=O ZINC000538922479 490757520 /nfs/dbraw/zinc/75/75/20/490757520.db2.gz VTDAAIPWGBPDPN-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000557090454 491352714 /nfs/dbraw/zinc/35/27/14/491352714.db2.gz MLTMSHNICCQFEP-QGZVFWFLSA-N 2 1 352.523 0.929 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000514141410 490763446 /nfs/dbraw/zinc/76/34/46/490763446.db2.gz FBQMFJKTCCRKPO-GJZGRUSLSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000514141410 490763451 /nfs/dbraw/zinc/76/34/51/490763451.db2.gz FBQMFJKTCCRKPO-GJZGRUSLSA-N 2 1 353.511 0.616 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514663638 490779140 /nfs/dbraw/zinc/77/91/40/490779140.db2.gz NDMGMJSVKMXPJC-GASCZTMLSA-N 2 1 356.511 0.495 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514663638 490779143 /nfs/dbraw/zinc/77/91/43/490779143.db2.gz NDMGMJSVKMXPJC-GASCZTMLSA-N 2 1 356.511 0.495 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000514682660 490782348 /nfs/dbraw/zinc/78/23/48/490782348.db2.gz UJLKIIMZNAGZKL-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514925117 490798177 /nfs/dbraw/zinc/79/81/77/490798177.db2.gz JNJDOJNWZZYTBN-ROUUACIJSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572226823 491356645 /nfs/dbraw/zinc/35/66/45/491356645.db2.gz DAUDXMFTZLVGJB-MJGOQNOKSA-N 2 1 374.533 0.481 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000515055956 490805603 /nfs/dbraw/zinc/80/56/03/490805603.db2.gz FHBFFMWPULYFCX-SFHVURJKSA-N 2 1 358.486 0.632 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C1 ZINC000515062826 490806156 /nfs/dbraw/zinc/80/61/56/490806156.db2.gz FCAPADVAEXCIFI-OAHLLOKOSA-N 2 1 360.458 0.701 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091344 490808171 /nfs/dbraw/zinc/80/81/71/490808171.db2.gz FEUXAVDJNRBMTP-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@@H](C)O1 ZINC000540246462 490810961 /nfs/dbraw/zinc/81/09/61/490810961.db2.gz HTRRYIIAQRBGLU-HUUCEWRRSA-N 2 1 363.524 0.255 20 0 FCADMP CC[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000515381347 490822799 /nfs/dbraw/zinc/82/27/99/490822799.db2.gz IFKKEPPTHFKQQI-ROUUACIJSA-N 2 1 358.486 0.808 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000529326104 490852983 /nfs/dbraw/zinc/85/29/83/490852983.db2.gz LKBAMZJNPABRRM-HMQMGEFJSA-N 2 1 365.522 0.709 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000516168967 490853945 /nfs/dbraw/zinc/85/39/45/490853945.db2.gz RCVFGELVVBHWJB-INIZCTEOSA-N 2 1 359.474 0.931 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000516168967 490853948 /nfs/dbraw/zinc/85/39/48/490853948.db2.gz RCVFGELVVBHWJB-INIZCTEOSA-N 2 1 359.474 0.931 20 0 FCADMP C[C@@]1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC[NH2+]C1 ZINC000516294307 490859961 /nfs/dbraw/zinc/85/99/61/490859961.db2.gz UJTXPNVJSIYHOD-VQIMIIECSA-N 2 1 366.506 0.206 20 0 FCADMP COCCN1C(=O)C[C@@H]([NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000541760275 490871458 /nfs/dbraw/zinc/87/14/58/490871458.db2.gz FCFIZSONVHFCKV-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000516786822 490878013 /nfs/dbraw/zinc/87/80/13/490878013.db2.gz GWNLHDQRJPFNHR-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP CC(C)(C[NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000516928115 490885527 /nfs/dbraw/zinc/88/55/27/490885527.db2.gz GRFAGDAOXPEZHL-UHFFFAOYSA-N 2 1 354.495 0.048 20 0 FCADMP C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000516980514 490889368 /nfs/dbraw/zinc/88/93/68/490889368.db2.gz YYCYPFLMGGTBBX-AEFFLSMTSA-N 2 1 360.502 0.732 20 0 FCADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000530231206 490894644 /nfs/dbraw/zinc/89/46/44/490894644.db2.gz GGRXVTDVTWGUPD-KRWDZBQOSA-N 2 1 362.474 0.408 20 0 FCADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000530231206 490894646 /nfs/dbraw/zinc/89/46/46/490894646.db2.gz GGRXVTDVTWGUPD-KRWDZBQOSA-N 2 1 362.474 0.408 20 0 FCADMP COC[C@@]1(CNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000517238469 490900738 /nfs/dbraw/zinc/90/07/38/490900738.db2.gz IRURWQDHDJDOEX-FQEVSTJZSA-N 2 1 360.502 0.932 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000530377547 490902568 /nfs/dbraw/zinc/90/25/68/490902568.db2.gz PWOIXZKTNRIQQM-MLGOLLRUSA-N 2 1 369.535 0.823 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517573273 490913169 /nfs/dbraw/zinc/91/31/69/490913169.db2.gz WPMDWOVKJWDDEF-KSZLIROESA-N 2 1 370.538 0.878 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000517821310 490922586 /nfs/dbraw/zinc/92/25/86/490922586.db2.gz RRQUPTKONPAECT-HZPDHXFCSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000517909663 490924262 /nfs/dbraw/zinc/92/42/62/490924262.db2.gz LXUSUPWOYVQGAR-CQSZACIVSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000517909663 490924264 /nfs/dbraw/zinc/92/42/64/490924264.db2.gz LXUSUPWOYVQGAR-CQSZACIVSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000517909660 490924440 /nfs/dbraw/zinc/92/44/40/490924440.db2.gz LXUSUPWOYVQGAR-AWEZNQCLSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000517909660 490924441 /nfs/dbraw/zinc/92/44/41/490924441.db2.gz LXUSUPWOYVQGAR-AWEZNQCLSA-N 2 1 353.511 0.759 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000517998527 490927739 /nfs/dbraw/zinc/92/77/39/490927739.db2.gz YGNHREFEOARGIE-IKGGRYGDSA-N 2 1 366.506 0.081 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000518004466 490928128 /nfs/dbraw/zinc/92/81/28/490928128.db2.gz UUYRJLIMCPBZOH-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000518004466 490928129 /nfs/dbraw/zinc/92/81/29/490928129.db2.gz UUYRJLIMCPBZOH-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000518004466 490928131 /nfs/dbraw/zinc/92/81/31/490928131.db2.gz UUYRJLIMCPBZOH-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292208 491365375 /nfs/dbraw/zinc/36/53/75/491365375.db2.gz DTQMGNGYLCEXOO-MAUKXSAKSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292208 491365377 /nfs/dbraw/zinc/36/53/77/491365377.db2.gz DTQMGNGYLCEXOO-MAUKXSAKSA-N 2 1 374.485 0.260 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062198 490938821 /nfs/dbraw/zinc/93/88/21/490938821.db2.gz LKGHEKYRBKLCSZ-FQEVSTJZSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062199 490938880 /nfs/dbraw/zinc/93/88/80/490938880.db2.gz LKGHEKYRBKLCSZ-HXUWFJFHSA-N 2 1 361.486 0.586 20 0 FCADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000531062790 490938913 /nfs/dbraw/zinc/93/89/13/490938913.db2.gz GTKTXEGBFROQIG-RXVVDRJESA-N 2 1 374.529 0.623 20 0 FCADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062790 490938914 /nfs/dbraw/zinc/93/89/14/490938914.db2.gz GTKTXEGBFROQIG-RXVVDRJESA-N 2 1 374.529 0.623 20 0 FCADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000531062790 490938916 /nfs/dbraw/zinc/93/89/16/490938916.db2.gz GTKTXEGBFROQIG-RXVVDRJESA-N 2 1 374.529 0.623 20 0 FCADMP CC(C)CN1C[C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374182 491365718 /nfs/dbraw/zinc/36/57/18/491365718.db2.gz IJUYXVXMWVMMJZ-HZPDHXFCSA-N 2 1 351.495 0.262 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCCCC1 ZINC000531244188 490947547 /nfs/dbraw/zinc/94/75/47/490947547.db2.gz BGZWVKNHXIVANX-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000518685438 490948806 /nfs/dbraw/zinc/94/88/06/490948806.db2.gz LTJIMSGHPLGYDA-YJBOKZPZSA-N 2 1 356.511 0.489 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000518685438 490948807 /nfs/dbraw/zinc/94/88/07/490948807.db2.gz LTJIMSGHPLGYDA-YJBOKZPZSA-N 2 1 356.511 0.489 20 0 FCADMP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531298770 490951003 /nfs/dbraw/zinc/95/10/03/490951003.db2.gz LICCNVSDTNEZAO-PZJWPPBQSA-N 2 1 373.497 0.804 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000565256390 491366692 /nfs/dbraw/zinc/36/66/92/491366692.db2.gz ZJURSNJBKHCQBO-OWCLPIDISA-N 2 1 365.522 0.840 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000531484060 490960314 /nfs/dbraw/zinc/96/03/14/490960314.db2.gz ZCUHRDGRAOWGIN-GOEBONIOSA-N 2 1 365.522 0.854 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000519163220 490963771 /nfs/dbraw/zinc/96/37/71/490963771.db2.gz USTJHBGLBOOQDT-CYBMUJFWSA-N 2 1 356.434 0.411 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812238 490975221 /nfs/dbraw/zinc/97/52/21/490975221.db2.gz HNAYWLYXVHRMFA-RDJZCZTQSA-N 2 1 363.506 0.419 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000531880186 490979064 /nfs/dbraw/zinc/97/90/64/490979064.db2.gz CUEXTYAEUYHTJS-MRXNPFEDSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000531880186 490979065 /nfs/dbraw/zinc/97/90/65/490979065.db2.gz CUEXTYAEUYHTJS-MRXNPFEDSA-N 2 1 365.522 0.809 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C(=O)NCC[C@@H]3C)CC2)CC1 ZINC000519649384 490982019 /nfs/dbraw/zinc/98/20/19/490982019.db2.gz MMINNEWLGCLBAM-YOEHRIQHSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067611 490985197 /nfs/dbraw/zinc/98/51/97/490985197.db2.gz PSZMVTUJTJUEMP-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315169 490990911 /nfs/dbraw/zinc/99/09/11/490990911.db2.gz NXRLDAAKOHANBR-YOEHRIQHSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)N1CCN(c3ncccn3)CC1)CC[NH2+]CC2 ZINC000569609185 491173898 /nfs/dbraw/zinc/17/38/98/491173898.db2.gz UYEHLQXXHKJGGG-QGZVFWFLSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@H]1CC2(C[N@H+]1CCC(=O)N1CCN(c3ncccn3)CC1)CC[NH2+]CC2 ZINC000569609178 491174313 /nfs/dbraw/zinc/17/43/13/491174313.db2.gz UYEHLQXXHKJGGG-KRWDZBQOSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648701 491177673 /nfs/dbraw/zinc/17/76/73/491177673.db2.gz DQDCVSNBXYQUJR-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648701 491177675 /nfs/dbraw/zinc/17/76/75/491177675.db2.gz DQDCVSNBXYQUJR-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000569648701 491177677 /nfs/dbraw/zinc/17/76/77/491177677.db2.gz DQDCVSNBXYQUJR-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000569648701 491177679 /nfs/dbraw/zinc/17/76/79/491177679.db2.gz DQDCVSNBXYQUJR-LSDHHAIUSA-N 2 1 366.506 0.057 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000569652316 491178231 /nfs/dbraw/zinc/17/82/31/491178231.db2.gz YLBSAFBLPZKTEU-HNNXBMFYSA-N 2 1 362.540 0.190 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000569652316 491178232 /nfs/dbraw/zinc/17/82/32/491178232.db2.gz YLBSAFBLPZKTEU-HNNXBMFYSA-N 2 1 362.540 0.190 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+](C)C ZINC000569756025 491188811 /nfs/dbraw/zinc/18/88/11/491188811.db2.gz UTGNOHDUFWGBCD-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572621590 491382596 /nfs/dbraw/zinc/38/25/96/491382596.db2.gz FEBOTNFZYZQYOD-OAHLLOKOSA-N 2 1 371.485 0.730 20 0 FCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572621590 491382598 /nfs/dbraw/zinc/38/25/98/491382598.db2.gz FEBOTNFZYZQYOD-OAHLLOKOSA-N 2 1 371.485 0.730 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000572705952 491387791 /nfs/dbraw/zinc/38/77/91/491387791.db2.gz BCOXQZQGGSYXKY-JKSUJKDBSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000565714314 491394919 /nfs/dbraw/zinc/39/49/19/491394919.db2.gz ISVGVXCWGOWIPP-HUUCEWRRSA-N 2 1 361.490 0.999 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000572824531 491395962 /nfs/dbraw/zinc/39/59/62/491395962.db2.gz TZSFOWWLSYXKLB-QAPCUYQASA-N 2 1 361.465 0.951 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557749315 491396012 /nfs/dbraw/zinc/39/60/12/491396012.db2.gz RPADJOVKDAADNW-AWEZNQCLSA-N 2 1 354.520 0.285 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000557749315 491396013 /nfs/dbraw/zinc/39/60/13/491396013.db2.gz RPADJOVKDAADNW-AWEZNQCLSA-N 2 1 354.520 0.285 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000572907296 491401191 /nfs/dbraw/zinc/40/11/91/491401191.db2.gz JSCCGAQZRIJNPM-SFHVURJKSA-N 2 1 370.497 0.726 20 0 FCADMP O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000572907296 491401193 /nfs/dbraw/zinc/40/11/93/491401193.db2.gz JSCCGAQZRIJNPM-SFHVURJKSA-N 2 1 370.497 0.726 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565882957 491405069 /nfs/dbraw/zinc/40/50/69/491405069.db2.gz YWSIRRIQCKSWNU-UHFFFAOYSA-N 2 1 356.470 0.589 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000558105938 491414401 /nfs/dbraw/zinc/41/44/01/491414401.db2.gz ZBIFFGNXBBDCPA-BHYGNILZSA-N 2 1 368.522 0.327 20 0 FCADMP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)C1=O ZINC000566137549 491419882 /nfs/dbraw/zinc/41/98/82/491419882.db2.gz YNYLROUGYRRGSD-LSDHHAIUSA-N 2 1 354.520 0.235 20 0 FCADMP CN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)C1=O ZINC000566137546 491420047 /nfs/dbraw/zinc/42/00/47/491420047.db2.gz YNYLROUGYRRGSD-CABCVRRESA-N 2 1 354.520 0.235 20 0 FCADMP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000566183323 491423503 /nfs/dbraw/zinc/42/35/03/491423503.db2.gz WNMGEWBVDZYXDI-LJQANCHMSA-N 2 1 358.442 0.693 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000566195783 491425093 /nfs/dbraw/zinc/42/50/93/491425093.db2.gz NKYCFGLAAASOOH-CQSZACIVSA-N 2 1 358.450 0.162 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321425 491426295 /nfs/dbraw/zinc/42/62/95/491426295.db2.gz UVNVJLVIKCZFKV-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321425 491426298 /nfs/dbraw/zinc/42/62/98/491426298.db2.gz UVNVJLVIKCZFKV-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321425 491426299 /nfs/dbraw/zinc/42/62/99/491426299.db2.gz UVNVJLVIKCZFKV-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP CCN1CC[NH+](CCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000558348387 491426771 /nfs/dbraw/zinc/42/67/71/491426771.db2.gz AGYSWCMKMPGHLJ-UHFFFAOYSA-N 2 1 367.538 0.122 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1)S(C)(=O)=O ZINC000566244844 491429929 /nfs/dbraw/zinc/42/99/29/491429929.db2.gz AQQIVSDFZFUBOX-BZSNNMDCSA-N 2 1 369.531 0.521 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1)S(C)(=O)=O ZINC000566244844 491429931 /nfs/dbraw/zinc/42/99/31/491429931.db2.gz AQQIVSDFZFUBOX-BZSNNMDCSA-N 2 1 369.531 0.521 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573476570 491436077 /nfs/dbraw/zinc/43/60/77/491436077.db2.gz SOFZCGDPECVJIS-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000566380630 491440291 /nfs/dbraw/zinc/44/02/91/491440291.db2.gz RVEPCLMCPDOXNU-UHFFFAOYSA-N 2 1 361.490 0.887 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000566380630 491440294 /nfs/dbraw/zinc/44/02/94/491440294.db2.gz RVEPCLMCPDOXNU-UHFFFAOYSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000573578654 491442045 /nfs/dbraw/zinc/44/20/45/491442045.db2.gz FZYVDPHSMJMGIL-DLBZAZTESA-N 2 1 359.474 0.462 20 0 FCADMP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000573617961 491444336 /nfs/dbraw/zinc/44/43/36/491444336.db2.gz YWBBTFHWXIOTPQ-IBGZPJMESA-N 2 1 362.474 0.385 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000573617961 491444338 /nfs/dbraw/zinc/44/43/38/491444338.db2.gz YWBBTFHWXIOTPQ-IBGZPJMESA-N 2 1 362.474 0.385 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566508781 491449921 /nfs/dbraw/zinc/44/99/21/491449921.db2.gz ZCXDWKPLRVINEC-YESZJQIVSA-N 2 1 357.458 0.214 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@H]1O ZINC000573722898 491450514 /nfs/dbraw/zinc/45/05/14/491450514.db2.gz ZLSPZBGMBRZKGX-IYWMVGAKSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@H]1O ZINC000573722898 491450517 /nfs/dbraw/zinc/45/05/17/491450517.db2.gz ZLSPZBGMBRZKGX-IYWMVGAKSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)c2)C[C@H]1O ZINC000573722898 491450520 /nfs/dbraw/zinc/45/05/20/491450520.db2.gz ZLSPZBGMBRZKGX-IYWMVGAKSA-N 2 1 364.486 0.037 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520099 491451178 /nfs/dbraw/zinc/45/11/78/491451178.db2.gz VJUUJANIIISRIL-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000566520099 491451179 /nfs/dbraw/zinc/45/11/79/491451179.db2.gz VJUUJANIIISRIL-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000566520099 491451180 /nfs/dbraw/zinc/45/11/80/491451180.db2.gz VJUUJANIIISRIL-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000566520094 491451398 /nfs/dbraw/zinc/45/13/98/491451398.db2.gz VJUUJANIIISRIL-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000566520094 491451401 /nfs/dbraw/zinc/45/14/01/491451401.db2.gz VJUUJANIIISRIL-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000566520094 491451403 /nfs/dbraw/zinc/45/14/03/491451403.db2.gz VJUUJANIIISRIL-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)([NH3+])c1nocc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000566571428 491454155 /nfs/dbraw/zinc/45/41/55/491454155.db2.gz AUCKSKRENHBUEB-UHFFFAOYSA-N 2 1 373.461 0.601 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)oc1C ZINC000566631593 491457588 /nfs/dbraw/zinc/45/75/88/491457588.db2.gz ROUGRVJUPQUSMS-HNNXBMFYSA-N 2 1 363.462 0.098 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000559327541 491464853 /nfs/dbraw/zinc/46/48/53/491464853.db2.gz WXQPKDMDCKDRTA-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000566752081 491465058 /nfs/dbraw/zinc/46/50/58/491465058.db2.gz ADCOYRQBDKHHDI-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000559329077 491465222 /nfs/dbraw/zinc/46/52/22/491465222.db2.gz QFYNSHXCVZWGLS-KRWDZBQOSA-N 2 1 366.506 0.302 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000566795209 491467468 /nfs/dbraw/zinc/46/74/68/491467468.db2.gz DEZGVHIHOIXHGD-MRXNPFEDSA-N 2 1 362.449 0.586 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC000559377282 491468551 /nfs/dbraw/zinc/46/85/51/491468551.db2.gz QUULDZCIVOHVKI-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911781 491474629 /nfs/dbraw/zinc/47/46/29/491474629.db2.gz MXOOUNIQEKIFPA-WIYYLYMNSA-N 2 1 372.513 0.977 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CC1 ZINC000559461144 491475389 /nfs/dbraw/zinc/47/53/89/491475389.db2.gz SNOITHMMUQQKRT-RDJZCZTQSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)CC1 ZINC000559461144 491475392 /nfs/dbraw/zinc/47/53/92/491475392.db2.gz SNOITHMMUQQKRT-RDJZCZTQSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574141730 491476801 /nfs/dbraw/zinc/47/68/01/491476801.db2.gz LKXGSPARNOZWKT-RDJZCZTQSA-N 2 1 350.463 0.239 20 0 FCADMP C[C@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574141730 491476804 /nfs/dbraw/zinc/47/68/04/491476804.db2.gz LKXGSPARNOZWKT-RDJZCZTQSA-N 2 1 350.463 0.239 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145934 491477077 /nfs/dbraw/zinc/47/70/77/491477077.db2.gz QZVCTALNRCEEKQ-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145934 491477079 /nfs/dbraw/zinc/47/70/79/491477079.db2.gz QZVCTALNRCEEKQ-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145934 491477081 /nfs/dbraw/zinc/47/70/81/491477081.db2.gz QZVCTALNRCEEKQ-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574179962 491479497 /nfs/dbraw/zinc/47/94/97/491479497.db2.gz AIDAUNHAHAPEOM-YYAJDYIMSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC3CC3)CC2)C1 ZINC000574215988 491481870 /nfs/dbraw/zinc/48/18/70/491481870.db2.gz VHDJHBJZMGHXMQ-KRWDZBQOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569554 491482259 /nfs/dbraw/zinc/48/22/59/491482259.db2.gz ZDQDBWDDWAUWPP-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484558 /nfs/dbraw/zinc/48/45/58/491484558.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 2 1 361.490 0.038 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@@H+]1CCc2sccc2C1 ZINC000574383928 491492701 /nfs/dbraw/zinc/49/27/01/491492701.db2.gz VEQUFTQQWNUHPU-UKRRQHHQSA-N 2 1 351.520 0.698 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)[N@H+]1CCc2sccc2C1 ZINC000574383928 491492703 /nfs/dbraw/zinc/49/27/03/491492703.db2.gz VEQUFTQQWNUHPU-UKRRQHHQSA-N 2 1 351.520 0.698 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000567235817 491493552 /nfs/dbraw/zinc/49/35/52/491493552.db2.gz XULSURLKQYIHDT-DOTOQJQBSA-N 2 1 366.506 0.286 20 0 FCADMP O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307484 491498889 /nfs/dbraw/zinc/49/88/89/491498889.db2.gz IIMCFQOFMLHKJM-RTBURBONSA-N 2 1 361.486 0.574 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307484 491498891 /nfs/dbraw/zinc/49/88/91/491498891.db2.gz IIMCFQOFMLHKJM-RTBURBONSA-N 2 1 361.486 0.574 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567356389 491501636 /nfs/dbraw/zinc/50/16/36/491501636.db2.gz JRQLGPMIUZDUGO-MJGOQNOKSA-N 2 1 352.523 0.805 20 0 FCADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000574510688 491501734 /nfs/dbraw/zinc/50/17/34/491501734.db2.gz QVLPZPBTUNYXFH-CYBMUJFWSA-N 2 1 354.476 0.019 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585403 491506845 /nfs/dbraw/zinc/50/68/45/491506845.db2.gz VLJANOFPMLVLKD-KSZLIROESA-N 2 1 356.470 0.812 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567455980 491507236 /nfs/dbraw/zinc/50/72/36/491507236.db2.gz GCQNTLMASRGSFC-WBAXXEDZSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567455980 491507239 /nfs/dbraw/zinc/50/72/39/491507239.db2.gz GCQNTLMASRGSFC-WBAXXEDZSA-N 2 1 374.485 0.246 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559903912 491509319 /nfs/dbraw/zinc/50/93/19/491509319.db2.gz OAGKJQCSNDWDKO-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015477 491514808 /nfs/dbraw/zinc/51/48/08/491514808.db2.gz NMYGKZBVPGQOOX-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000560015413 491514909 /nfs/dbraw/zinc/51/49/09/491514909.db2.gz GQEBOOZAIDRSDR-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560022237 491515345 /nfs/dbraw/zinc/51/53/45/491515345.db2.gz VEZXLHYFNYDNMV-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000560017802 491515669 /nfs/dbraw/zinc/51/56/69/491515669.db2.gz ZLRLMWOLWWNJBK-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000560026993 491516753 /nfs/dbraw/zinc/51/67/53/491516753.db2.gz YTGXVIXHGCXICH-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000560300857 491529653 /nfs/dbraw/zinc/52/96/53/491529653.db2.gz VKKZYUGBWLPWNE-FUHWJXTLSA-N 2 1 360.502 0.828 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916287 491541254 /nfs/dbraw/zinc/54/12/54/491541254.db2.gz POMYLPVTPLPJHJ-DLBZAZTESA-N 2 1 372.469 0.335 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916287 491541256 /nfs/dbraw/zinc/54/12/56/491541256.db2.gz POMYLPVTPLPJHJ-DLBZAZTESA-N 2 1 372.469 0.335 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000567928243 491542045 /nfs/dbraw/zinc/54/20/45/491542045.db2.gz JLACXLJWSDZFPR-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000568075790 491552117 /nfs/dbraw/zinc/55/21/17/491552117.db2.gz HKIABCDYQPZTLW-QGZVFWFLSA-N 2 1 369.535 0.778 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000560885028 491561973 /nfs/dbraw/zinc/56/19/73/491561973.db2.gz QJKVPSXKGACIFD-MRXNPFEDSA-N 2 1 356.511 0.117 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000568292599 491567322 /nfs/dbraw/zinc/56/73/22/491567322.db2.gz RGLCMDJPNMRUFV-KRWDZBQOSA-N 2 1 364.490 0.619 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000561013802 491570171 /nfs/dbraw/zinc/57/01/71/491570171.db2.gz BGNDOKAKAOLATO-DLBZAZTESA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012534 491570510 /nfs/dbraw/zinc/57/05/10/491570510.db2.gz IBTKYDNUUDUEMS-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012534 491570511 /nfs/dbraw/zinc/57/05/11/491570511.db2.gz IBTKYDNUUDUEMS-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012534 491570513 /nfs/dbraw/zinc/57/05/13/491570513.db2.gz IBTKYDNUUDUEMS-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000561012534 491570515 /nfs/dbraw/zinc/57/05/15/491570515.db2.gz IBTKYDNUUDUEMS-GJZGRUSLSA-N 2 1 356.511 0.137 20 0 FCADMP Cc1ncc2n1C[C@@H](C(=O)NC1CCN([C@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928123 491570757 /nfs/dbraw/zinc/57/07/57/491570757.db2.gz BFRXLSXKDCFNHY-YOEHRIQHSA-N 2 1 359.474 0.565 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000568372877 491572265 /nfs/dbraw/zinc/57/22/65/491572265.db2.gz BISNLFGODYMZHD-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000568389622 491573347 /nfs/dbraw/zinc/57/33/47/491573347.db2.gz RSOSWQQKFSOXNY-HNNXBMFYSA-N 2 1 371.445 0.783 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000561121471 491576486 /nfs/dbraw/zinc/57/64/86/491576486.db2.gz MYDLNUBLDIHZLX-RDJZCZTQSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561121471 491576487 /nfs/dbraw/zinc/57/64/87/491576487.db2.gz MYDLNUBLDIHZLX-RDJZCZTQSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561121471 491576489 /nfs/dbraw/zinc/57/64/89/491576489.db2.gz MYDLNUBLDIHZLX-RDJZCZTQSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000561136141 491577815 /nfs/dbraw/zinc/57/78/15/491577815.db2.gz AUKQWAQOOXONED-BRWVUGGUSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000576044285 491577876 /nfs/dbraw/zinc/57/78/76/491577876.db2.gz NZYGNCUDYKSAJE-FGTMMUONSA-N 2 1 372.517 0.835 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1=O ZINC000673650358 493353139 /nfs/dbraw/zinc/35/31/39/493353139.db2.gz OQJIDUYEGAZRGG-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561267218 491591442 /nfs/dbraw/zinc/59/14/42/491591442.db2.gz DCFOSIYJMGMWBY-HNNXBMFYSA-N 2 1 352.866 0.929 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000584464504 491594513 /nfs/dbraw/zinc/59/45/13/491594513.db2.gz RRYHDZDTIHKLRK-DSLXNQLJSA-N 2 1 370.497 0.915 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470518 491595030 /nfs/dbraw/zinc/59/50/30/491595030.db2.gz IWVGKWAZPROMDL-MNOVXSKESA-N 2 1 366.384 0.450 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470518 491595037 /nfs/dbraw/zinc/59/50/37/491595037.db2.gz IWVGKWAZPROMDL-MNOVXSKESA-N 2 1 366.384 0.450 20 0 FCADMP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188284 491599889 /nfs/dbraw/zinc/59/98/89/491599889.db2.gz CCACHORQUXTTGZ-HUUCEWRRSA-N 2 1 363.462 0.722 20 0 FCADMP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CC=CCC2)(N2CCOCC2)CC1 ZINC000577203675 491602129 /nfs/dbraw/zinc/60/21/29/491602129.db2.gz HWFHQMZEYZJCRY-UHFFFAOYSA-N 2 1 365.522 0.344 20 0 FCADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661643 493354518 /nfs/dbraw/zinc/35/45/18/493354518.db2.gz JZEJOBOPQPGAKT-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673661643 493354520 /nfs/dbraw/zinc/35/45/20/493354520.db2.gz JZEJOBOPQPGAKT-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673661643 493354524 /nfs/dbraw/zinc/35/45/24/493354524.db2.gz JZEJOBOPQPGAKT-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000561423529 491606913 /nfs/dbraw/zinc/60/69/13/491606913.db2.gz KMBUKUQNXJIUJI-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000561423529 491606916 /nfs/dbraw/zinc/60/69/16/491606916.db2.gz KMBUKUQNXJIUJI-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000561423529 491606917 /nfs/dbraw/zinc/60/69/17/491606917.db2.gz KMBUKUQNXJIUJI-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000561423529 491606920 /nfs/dbraw/zinc/60/69/20/491606920.db2.gz KMBUKUQNXJIUJI-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000577371056 491615515 /nfs/dbraw/zinc/61/55/15/491615515.db2.gz KFZUBZKTVMQNRN-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000577371056 491615518 /nfs/dbraw/zinc/61/55/18/491615518.db2.gz KFZUBZKTVMQNRN-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389618 491618051 /nfs/dbraw/zinc/61/80/51/491618051.db2.gz IASGOKKUVZYPSI-KBPBESRZSA-N 2 1 363.487 0.060 20 0 FCADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389618 491618053 /nfs/dbraw/zinc/61/80/53/491618053.db2.gz IASGOKKUVZYPSI-KBPBESRZSA-N 2 1 363.487 0.060 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1Cl ZINC000576492976 491619331 /nfs/dbraw/zinc/61/93/31/491619331.db2.gz DKQVCAJYKCSAPN-OAHLLOKOSA-N 2 1 352.866 0.927 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577474068 491624101 /nfs/dbraw/zinc/62/41/01/491624101.db2.gz PLPBUQOIXPBKDN-WBVHZDCISA-N 2 1 369.469 0.461 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008761 491627268 /nfs/dbraw/zinc/62/72/68/491627268.db2.gz YOGFCQKEWQSGLA-QZTJIDSGSA-N 2 1 352.523 0.772 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000561743245 491628688 /nfs/dbraw/zinc/62/86/88/491628688.db2.gz MEJNXULIYKEMGI-SJORKVTESA-N 2 1 368.522 0.327 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000577594225 491634400 /nfs/dbraw/zinc/63/44/00/491634400.db2.gz DULXNYFRLVIVGU-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000577594225 491634402 /nfs/dbraw/zinc/63/44/02/491634402.db2.gz DULXNYFRLVIVGU-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000569121376 491635627 /nfs/dbraw/zinc/63/56/27/491635627.db2.gz FSWXDYCDQZHHCW-GUTXKFCHSA-N 2 1 350.463 0.656 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576687486 491636074 /nfs/dbraw/zinc/63/60/74/491636074.db2.gz HFPDFLIITRCHQI-CGTJXYLNSA-N 2 1 362.474 0.645 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576687486 491636075 /nfs/dbraw/zinc/63/60/75/491636075.db2.gz HFPDFLIITRCHQI-CGTJXYLNSA-N 2 1 362.474 0.645 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CCO[C@H]3C)CC2)CC1 ZINC000576715833 491638673 /nfs/dbraw/zinc/63/86/73/491638673.db2.gz OQPKEMURSIVDFM-HNAYVOBHSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000562001520 491645787 /nfs/dbraw/zinc/64/57/87/491645787.db2.gz MFSPLZUGPFVVAG-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000562001520 491645792 /nfs/dbraw/zinc/64/57/92/491645792.db2.gz MFSPLZUGPFVVAG-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001721 491646467 /nfs/dbraw/zinc/64/64/67/491646467.db2.gz OOSDDZPSSASEEV-LSDHHAIUSA-N 2 1 350.463 0.769 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000577747432 491648465 /nfs/dbraw/zinc/64/84/65/491648465.db2.gz YEHXYFJRGBXFGP-DLBZAZTESA-N 2 1 366.531 0.982 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000569321612 491652137 /nfs/dbraw/zinc/65/21/37/491652137.db2.gz RAHZQZFLOXQCQJ-UHFFFAOYSA-N 2 1 359.474 0.755 20 0 FCADMP CNC(=O)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943493 491658578 /nfs/dbraw/zinc/65/85/78/491658578.db2.gz KSGWFQLWKGSVGA-MJGOQNOKSA-N 2 1 358.486 0.911 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C2)C1 ZINC000569427280 491660688 /nfs/dbraw/zinc/66/06/88/491660688.db2.gz YRJVHJGWHDZGEY-IBGZPJMESA-N 2 1 365.522 0.716 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000578226885 491672652 /nfs/dbraw/zinc/67/26/52/491672652.db2.gz NODMZUONRGCDLZ-GOSISDBHSA-N 2 1 363.481 0.947 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000578226885 491672653 /nfs/dbraw/zinc/67/26/53/491672653.db2.gz NODMZUONRGCDLZ-GOSISDBHSA-N 2 1 363.481 0.947 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000668465899 493359796 /nfs/dbraw/zinc/35/97/96/493359796.db2.gz MWTPTFPADMJJDV-GOSISDBHSA-N 2 1 373.501 0.763 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000578488301 491678124 /nfs/dbraw/zinc/67/81/24/491678124.db2.gz GSCGDXRITPJDOQ-MRXNPFEDSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579212964 491693134 /nfs/dbraw/zinc/69/31/34/491693134.db2.gz CHKDZBYCJJJUPI-ZOBUZTSGSA-N 2 1 362.474 0.198 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000579265571 491694453 /nfs/dbraw/zinc/69/44/53/491694453.db2.gz DIYBJCRJCASCFH-IKGGRYGDSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000579265571 491694454 /nfs/dbraw/zinc/69/44/54/491694454.db2.gz DIYBJCRJCASCFH-IKGGRYGDSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000579265571 491694455 /nfs/dbraw/zinc/69/44/55/491694455.db2.gz DIYBJCRJCASCFH-IKGGRYGDSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)[C@H]2C1 ZINC000579342602 491695750 /nfs/dbraw/zinc/69/57/50/491695750.db2.gz WRJHQXSZUGNIIQ-YRXWBPOGSA-N 2 1 370.497 0.740 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000579355269 491696201 /nfs/dbraw/zinc/69/62/01/491696201.db2.gz ZDSFKMHBRAMISW-ULQDDVLXSA-N 2 1 366.506 0.428 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCCCC1 ZINC000579394438 491697240 /nfs/dbraw/zinc/69/72/40/491697240.db2.gz NJMUZJLEMOAVSE-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579700057 491703152 /nfs/dbraw/zinc/70/31/52/491703152.db2.gz LOPWFJALXSTXKN-YFHUEUNASA-N 2 1 360.502 0.530 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000584580947 491708424 /nfs/dbraw/zinc/70/84/24/491708424.db2.gz MIIGYBRRQZDVTF-KHYOSLBOSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000584580947 491708425 /nfs/dbraw/zinc/70/84/25/491708425.db2.gz MIIGYBRRQZDVTF-KHYOSLBOSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000579931227 491709419 /nfs/dbraw/zinc/70/94/19/491709419.db2.gz UTFGYXMIEMSUOL-IAGOWNOFSA-N 2 1 353.511 0.032 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000579934149 491709866 /nfs/dbraw/zinc/70/98/66/491709866.db2.gz VCJGDBQAKGGTFB-SFHVURJKSA-N 2 1 360.502 0.960 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580053987 491715117 /nfs/dbraw/zinc/71/51/17/491715117.db2.gz SUDNXAPAMMZIMF-JZXOWHBKSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000580311448 491725357 /nfs/dbraw/zinc/72/53/57/491725357.db2.gz KQVLWJJYGCHNLA-GOEBONIOSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)NCC[NH+]1CCCCCC1 ZINC000580613194 491738754 /nfs/dbraw/zinc/73/87/54/491738754.db2.gz ZQIDZCXWMKZWJZ-DLBZAZTESA-N 2 1 365.522 0.905 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882629 491750065 /nfs/dbraw/zinc/75/00/65/491750065.db2.gz GFAJBRMXPCQVMT-BNOWGMLFSA-N 2 1 363.428 0.604 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000581026569 491756230 /nfs/dbraw/zinc/75/62/30/491756230.db2.gz JZIUDMDAENDNQS-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660542704 493360570 /nfs/dbraw/zinc/36/05/70/493360570.db2.gz FZBHJTSHILQDCJ-SJLPKXTDSA-N 2 1 371.485 0.673 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135337 491760924 /nfs/dbraw/zinc/76/09/24/491760924.db2.gz FBVJNVLYGAOXPZ-JKSUJKDBSA-N 2 1 363.510 0.500 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000590497126 491777879 /nfs/dbraw/zinc/77/78/79/491777879.db2.gz QCPIQZYFKGSRCR-SFHVURJKSA-N 2 1 352.523 0.727 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000590497126 491777880 /nfs/dbraw/zinc/77/78/80/491777880.db2.gz QCPIQZYFKGSRCR-SFHVURJKSA-N 2 1 352.523 0.727 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000590497126 491777882 /nfs/dbraw/zinc/77/78/82/491777882.db2.gz QCPIQZYFKGSRCR-SFHVURJKSA-N 2 1 352.523 0.727 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2nnc3c2CCCC3)CC1 ZINC000582011898 491794115 /nfs/dbraw/zinc/79/41/15/491794115.db2.gz PZSRZUYJJRXCLT-UHFFFAOYSA-N 2 1 355.446 0.942 20 0 FCADMP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582290629 491805943 /nfs/dbraw/zinc/80/59/43/491805943.db2.gz LWGDKROIYIMAQM-CABCVRRESA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000582434708 491812690 /nfs/dbraw/zinc/81/26/90/491812690.db2.gz HSUXFYHEJKINGR-IGCXYCKISA-N 2 1 354.520 0.281 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000582487167 491815032 /nfs/dbraw/zinc/81/50/32/491815032.db2.gz YBHVTVONMNVMBW-QXSJWSMHSA-N 2 1 356.511 0.482 20 0 FCADMP O=C(C[C@@H]1C[NH2+]CCO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000582667404 491821799 /nfs/dbraw/zinc/82/17/99/491821799.db2.gz NGMWVZNYXUNQLN-GOSISDBHSA-N 2 1 362.474 0.511 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)c1 ZINC000583111326 491838351 /nfs/dbraw/zinc/83/83/51/491838351.db2.gz RGBWBEFNNQXTPF-INIZCTEOSA-N 2 1 371.485 0.805 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CC2)c1 ZINC000583111326 491838352 /nfs/dbraw/zinc/83/83/52/491838352.db2.gz RGBWBEFNNQXTPF-INIZCTEOSA-N 2 1 371.485 0.805 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)cc1 ZINC000583201983 491840172 /nfs/dbraw/zinc/84/01/72/491840172.db2.gz QURVLBDGXGZNLO-UHFFFAOYSA-N 2 1 372.473 0.984 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)cc1 ZINC000583201983 491840173 /nfs/dbraw/zinc/84/01/73/491840173.db2.gz QURVLBDGXGZNLO-UHFFFAOYSA-N 2 1 372.473 0.984 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000583312703 491842165 /nfs/dbraw/zinc/84/21/65/491842165.db2.gz JAEMYCKLIFQAGD-LISAXSMJSA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000583371989 491843541 /nfs/dbraw/zinc/84/35/41/491843541.db2.gz WTIBLHPRWSSTIB-RDJZCZTQSA-N 2 1 350.507 0.966 20 0 FCADMP CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000583526839 491846843 /nfs/dbraw/zinc/84/68/43/491846843.db2.gz CQZQWEHVUQDWGX-KRWDZBQOSA-N 2 1 360.506 0.967 20 0 FCADMP CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000583526839 491846844 /nfs/dbraw/zinc/84/68/44/491846844.db2.gz CQZQWEHVUQDWGX-KRWDZBQOSA-N 2 1 360.506 0.967 20 0 FCADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000583637173 491849199 /nfs/dbraw/zinc/84/91/99/491849199.db2.gz DPFLIGAFEABPRM-FVPDABNVSA-N 2 1 351.495 0.462 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929744 491854888 /nfs/dbraw/zinc/85/48/88/491854888.db2.gz AVHXONZQQARZJH-YOEHRIQHSA-N 2 1 367.515 0.907 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929744 491854889 /nfs/dbraw/zinc/85/48/89/491854889.db2.gz AVHXONZQQARZJH-YOEHRIQHSA-N 2 1 367.515 0.907 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000584355982 491863679 /nfs/dbraw/zinc/86/36/79/491863679.db2.gz UEGVAJNOWGKCTA-UXHICEINSA-N 2 1 372.513 0.702 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000584355984 491863773 /nfs/dbraw/zinc/86/37/73/491863773.db2.gz UEGVAJNOWGKCTA-WOJBJXKFSA-N 2 1 372.513 0.702 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000611672619 491866680 /nfs/dbraw/zinc/86/66/80/491866680.db2.gz IFQBDSUALVVZSY-YOEHRIQHSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611672619 491866682 /nfs/dbraw/zinc/86/66/82/491866682.db2.gz IFQBDSUALVVZSY-YOEHRIQHSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000611673169 491867078 /nfs/dbraw/zinc/86/70/78/491867078.db2.gz KGEWJXGKCZDBDT-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000611673169 491867079 /nfs/dbraw/zinc/86/70/79/491867079.db2.gz KGEWJXGKCZDBDT-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000611757587 491872667 /nfs/dbraw/zinc/87/26/67/491872667.db2.gz GAZMMLHRQXFTEE-CVEARBPZSA-N 2 1 350.507 0.990 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310780 491916426 /nfs/dbraw/zinc/91/64/26/491916426.db2.gz FKIBARZMWWSKIP-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000612484419 491924700 /nfs/dbraw/zinc/92/47/00/491924700.db2.gz BONKCGMLONLWEA-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000612484421 491924789 /nfs/dbraw/zinc/92/47/89/491924789.db2.gz BONKCGMLONLWEA-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472257 491925335 /nfs/dbraw/zinc/92/53/35/491925335.db2.gz GDGMNBITSRTPDG-HOTGVXAUSA-N 2 1 372.535 0.037 20 0 FCADMP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601472257 491925336 /nfs/dbraw/zinc/92/53/36/491925336.db2.gz GDGMNBITSRTPDG-HOTGVXAUSA-N 2 1 372.535 0.037 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000612546986 491932515 /nfs/dbraw/zinc/93/25/15/491932515.db2.gz XRYQXGZMUWOICU-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546986 491932517 /nfs/dbraw/zinc/93/25/17/491932517.db2.gz XRYQXGZMUWOICU-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546986 491932519 /nfs/dbraw/zinc/93/25/19/491932519.db2.gz XRYQXGZMUWOICU-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000612597678 491937451 /nfs/dbraw/zinc/93/74/51/491937451.db2.gz JZNPUAMRYAJCLP-ZOBUZTSGSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000612597678 491937452 /nfs/dbraw/zinc/93/74/52/491937452.db2.gz JZNPUAMRYAJCLP-ZOBUZTSGSA-N 2 1 366.506 0.297 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962938 491959724 /nfs/dbraw/zinc/95/97/24/491959724.db2.gz KGUKOJICQKTDOE-MRXNPFEDSA-N 2 1 373.505 0.430 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844184 492104574 /nfs/dbraw/zinc/10/45/74/492104574.db2.gz VAZYEPMUTUSBKE-IAGOWNOFSA-N 2 1 356.511 0.753 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000605844184 492104577 /nfs/dbraw/zinc/10/45/77/492104577.db2.gz VAZYEPMUTUSBKE-IAGOWNOFSA-N 2 1 356.511 0.753 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000606665752 492125884 /nfs/dbraw/zinc/12/58/84/492125884.db2.gz ODIRAKFDYCPHSE-DLBZAZTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000606665752 492125886 /nfs/dbraw/zinc/12/58/86/492125886.db2.gz ODIRAKFDYCPHSE-DLBZAZTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000606665752 492125887 /nfs/dbraw/zinc/12/58/87/492125887.db2.gz ODIRAKFDYCPHSE-DLBZAZTESA-N 2 1 367.538 0.911 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691941 492126694 /nfs/dbraw/zinc/12/66/94/492126694.db2.gz DOUJGETYRIGDFE-WMZOPIPTSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000606716101 492127844 /nfs/dbraw/zinc/12/78/44/492127844.db2.gz MBGMOIFATZLBDS-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000607229382 492141845 /nfs/dbraw/zinc/14/18/45/492141845.db2.gz UNTLZQDLXDUNJG-KRWDZBQOSA-N 3 1 357.543 0.478 20 0 FCADMP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000617976378 492208251 /nfs/dbraw/zinc/20/82/51/492208251.db2.gz XKGPVDZCXIVKBM-IBGZPJMESA-N 2 1 357.502 0.800 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000619180023 492252210 /nfs/dbraw/zinc/25/22/10/492252210.db2.gz ARLHLCMUOQGRDM-UHFFFAOYSA-N 2 1 369.425 0.950 20 0 FCADMP CN(CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000619324318 492260783 /nfs/dbraw/zinc/26/07/83/492260783.db2.gz JUOVPGYNIQVTNK-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000619324318 492260784 /nfs/dbraw/zinc/26/07/84/492260784.db2.gz JUOVPGYNIQVTNK-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CN(CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000619324318 492260787 /nfs/dbraw/zinc/26/07/87/492260787.db2.gz JUOVPGYNIQVTNK-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000647517976 492302566 /nfs/dbraw/zinc/30/25/66/492302566.db2.gz YFYFHDCPURMTMK-HUUCEWRRSA-N 2 1 361.442 0.080 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654436795 492302878 /nfs/dbraw/zinc/30/28/78/492302878.db2.gz GHTCZAQPLNMOSN-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654436795 492302882 /nfs/dbraw/zinc/30/28/82/492302882.db2.gz GHTCZAQPLNMOSN-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCN2)[C@H](C)CN1Cc1ccccc1 ZINC000627473969 492311323 /nfs/dbraw/zinc/31/13/23/492311323.db2.gz ARIRBWOBARQSQH-NUJGCVRESA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCN2)[C@@H](C)CN1Cc1ccccc1 ZINC000627473971 492311755 /nfs/dbraw/zinc/31/17/55/492311755.db2.gz ARIRBWOBARQSQH-SOLBZPMBSA-N 2 1 374.485 0.212 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642101816 492335096 /nfs/dbraw/zinc/33/50/96/492335096.db2.gz SXIQJDRIOVCLHB-KSZLIROESA-N 2 1 356.470 0.588 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642189646 492339154 /nfs/dbraw/zinc/33/91/54/492339154.db2.gz DJETXGAIRLQFMA-ROUUACIJSA-N 2 1 374.485 0.128 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642253914 492345245 /nfs/dbraw/zinc/34/52/45/492345245.db2.gz QISVQODXIIXFPQ-MSOLQXFVSA-N 2 1 374.485 0.201 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000642253636 492345445 /nfs/dbraw/zinc/34/54/45/492345445.db2.gz CHIUPFVOHPITNH-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253658 492345457 /nfs/dbraw/zinc/34/54/57/492345457.db2.gz DXZMBLZSBTUDSJ-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642253916 492345956 /nfs/dbraw/zinc/34/59/56/492345956.db2.gz QISVQODXIIXFPQ-ROUUACIJSA-N 2 1 374.485 0.201 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000642262599 492346551 /nfs/dbraw/zinc/34/65/51/492346551.db2.gz KABAKNQXPFIGGC-VYDXJSESSA-N 2 1 362.474 0.198 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000642262563 492346817 /nfs/dbraw/zinc/34/68/17/492346817.db2.gz BFWHTVFCBXIRDX-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642330477 492352335 /nfs/dbraw/zinc/35/23/35/492352335.db2.gz MBHYTLPLMJKQHB-ILXRZTDVSA-N 2 1 354.495 0.188 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[NH+]1CCOCC1 ZINC000642522295 492362061 /nfs/dbraw/zinc/36/20/61/492362061.db2.gz ZZDQOVKNFZNTJT-MRXNPFEDSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H]1C[NH3+] ZINC000647820914 492364861 /nfs/dbraw/zinc/36/48/61/492364861.db2.gz MCJHXMROEMZCQF-IKGGRYGDSA-N 2 1 366.506 0.286 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CC[NH2+]CC1 ZINC000642640875 492369434 /nfs/dbraw/zinc/36/94/34/492369434.db2.gz HWZPKZGUVXSUTP-GUDVDZBRSA-N 2 1 370.497 0.835 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000642721937 492379679 /nfs/dbraw/zinc/37/96/79/492379679.db2.gz GKGMLZPMBOVISW-HOCLYGCPSA-N 2 1 362.474 0.802 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728579 492381030 /nfs/dbraw/zinc/38/10/30/492381030.db2.gz IOACIUDQKIFTOG-ZBFHGGJFSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728579 492381033 /nfs/dbraw/zinc/38/10/33/492381033.db2.gz IOACIUDQKIFTOG-ZBFHGGJFSA-N 2 1 354.495 0.250 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642733006 492382578 /nfs/dbraw/zinc/38/25/78/492382578.db2.gz PRIPEYGEECMIGF-SFHVURJKSA-N 2 1 358.486 0.809 20 0 FCADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642733857 492382804 /nfs/dbraw/zinc/38/28/04/492382804.db2.gz WTNVUXOMTQLZTP-KRWDZBQOSA-N 2 1 358.486 0.664 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642759509 492386801 /nfs/dbraw/zinc/38/68/01/492386801.db2.gz FVLRZRLXIMNJEP-NXHRZFHOSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000642778950 492389148 /nfs/dbraw/zinc/38/91/48/492389148.db2.gz SLWXPLMQKDPLNH-INIZCTEOSA-N 2 1 359.474 0.817 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(=O)N1CCCCC1 ZINC000647983542 492390544 /nfs/dbraw/zinc/39/05/44/492390544.db2.gz HCCYCLHEMAHYGC-LESCRADOSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642798889 492394837 /nfs/dbraw/zinc/39/48/37/492394837.db2.gz HSYPAGYBKXROSQ-ONIAQPFYSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000642798909 492394858 /nfs/dbraw/zinc/39/48/58/492394858.db2.gz RUJFFOVZCHZTFV-YSHGAJCASA-N 2 1 370.497 0.976 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902296 492398927 /nfs/dbraw/zinc/39/89/27/492398927.db2.gz OYJYOMUMBGLMNP-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000642911642 492402471 /nfs/dbraw/zinc/40/24/71/492402471.db2.gz MAVUVLIYSFTUGC-UUAJXVIYSA-N 2 1 366.506 0.473 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642918144 492402858 /nfs/dbraw/zinc/40/28/58/492402858.db2.gz OLXXMULRTKMXPE-CALCHBBNSA-N 2 1 356.470 0.445 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)CC1 ZINC000655109663 492403798 /nfs/dbraw/zinc/40/37/98/492403798.db2.gz LYMPNXUPHJDDAS-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642919827 492403897 /nfs/dbraw/zinc/40/38/97/492403897.db2.gz IXKNNSDOBCESNT-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643003994 492412599 /nfs/dbraw/zinc/41/25/99/492412599.db2.gz HPPFISJVHZLRBJ-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000627921470 492419448 /nfs/dbraw/zinc/41/94/48/492419448.db2.gz FCXMHSYSEOOICO-BPQIPLTHSA-N 2 1 358.486 0.910 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621838778 492422371 /nfs/dbraw/zinc/42/23/71/492422371.db2.gz JDJOICSSXUHRJX-SPYBWZPUSA-N 2 1 350.507 0.953 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[N@@H+]1CCOC ZINC000622029518 492444091 /nfs/dbraw/zinc/44/40/91/492444091.db2.gz HMBDXIUGWMFIHY-MDZRGWNJSA-N 2 1 366.506 0.286 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[N@H+]1CCOC ZINC000622029518 492444095 /nfs/dbraw/zinc/44/40/95/492444095.db2.gz HMBDXIUGWMFIHY-MDZRGWNJSA-N 2 1 366.506 0.286 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622029306 492444504 /nfs/dbraw/zinc/44/45/04/492444504.db2.gz DMNUTDWQQJIIPR-DNVCBOLYSA-N 2 1 366.506 0.143 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480975 492476916 /nfs/dbraw/zinc/47/69/16/492476916.db2.gz HROIPZAXWGGNTI-SJLPKXTDSA-N 2 1 374.485 0.296 20 0 FCADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc2c(c1)OCO2 ZINC000655707670 492477172 /nfs/dbraw/zinc/47/71/72/492477172.db2.gz YPOYVUPFOSDGBW-HZPDHXFCSA-N 2 1 364.442 0.998 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000643484612 492478261 /nfs/dbraw/zinc/47/82/61/492478261.db2.gz HSVQKVRXXSQMBN-SFHVURJKSA-N 2 1 358.486 0.850 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643523864 492490357 /nfs/dbraw/zinc/49/03/57/492490357.db2.gz FBBLNBHPLWEHHE-RWQQGDIJSA-N 2 1 370.497 0.786 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643523864 492490358 /nfs/dbraw/zinc/49/03/58/492490358.db2.gz FBBLNBHPLWEHHE-RWQQGDIJSA-N 2 1 370.497 0.786 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531799 492491405 /nfs/dbraw/zinc/49/14/05/492491405.db2.gz LRCARXOKQHFKJE-RYQLBKOJSA-N 2 1 374.485 0.294 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000635703958 492494340 /nfs/dbraw/zinc/49/43/40/492494340.db2.gz PNKHCPMUKIHMJU-IBGZPJMESA-N 2 1 372.513 0.926 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000635703958 492494345 /nfs/dbraw/zinc/49/43/45/492494345.db2.gz PNKHCPMUKIHMJU-IBGZPJMESA-N 2 1 372.513 0.926 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000635703958 492494351 /nfs/dbraw/zinc/49/43/51/492494351.db2.gz PNKHCPMUKIHMJU-IBGZPJMESA-N 2 1 372.513 0.926 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643545300 492496169 /nfs/dbraw/zinc/49/61/69/492496169.db2.gz XKTCRTDNKNHFSY-MLHJIOFPSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H]1C[NH3+] ZINC000643549797 492497172 /nfs/dbraw/zinc/49/71/72/492497172.db2.gz QVMZATWJXXNIBY-YFHUEUNASA-N 2 1 362.518 0.905 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643550011 492497572 /nfs/dbraw/zinc/49/75/72/492497572.db2.gz TVHDYUSKJFNZSN-BVPBIZIASA-N 2 1 374.460 0.631 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643567606 492499363 /nfs/dbraw/zinc/49/93/63/492499363.db2.gz XOJUIBXNLIDIDM-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCO1 ZINC000643577749 492499710 /nfs/dbraw/zinc/49/97/10/492499710.db2.gz SRAYRDRNLRAUFW-GOEBONIOSA-N 2 1 366.462 0.135 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643577395 492499724 /nfs/dbraw/zinc/49/97/24/492499724.db2.gz CAYJUZYJDRSZDX-OKYOBFRVSA-N 2 1 370.497 0.567 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643577395 492499727 /nfs/dbraw/zinc/49/97/27/492499727.db2.gz CAYJUZYJDRSZDX-OKYOBFRVSA-N 2 1 370.497 0.567 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCO1 ZINC000643577747 492499806 /nfs/dbraw/zinc/49/98/06/492499806.db2.gz SRAYRDRNLRAUFW-GDBMZVCRSA-N 2 1 366.462 0.135 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655976135 492499927 /nfs/dbraw/zinc/49/99/27/492499927.db2.gz ZMKRDQKESGFKAH-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643585616 492500628 /nfs/dbraw/zinc/50/06/28/492500628.db2.gz HWKBYDJOBYQRPK-QYZOEREBSA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643585616 492500633 /nfs/dbraw/zinc/50/06/33/492500633.db2.gz HWKBYDJOBYQRPK-QYZOEREBSA-N 2 1 372.513 0.958 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643590320 492501709 /nfs/dbraw/zinc/50/17/09/492501709.db2.gz OHWVFFNSHNVNBH-WBVHZDCISA-N 2 1 362.474 0.770 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000643593001 492503177 /nfs/dbraw/zinc/50/31/77/492503177.db2.gz AUPCGFSXFYZMSV-KRWDZBQOSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000643593001 492503182 /nfs/dbraw/zinc/50/31/82/492503182.db2.gz AUPCGFSXFYZMSV-KRWDZBQOSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C2)C1 ZINC000643594090 492503574 /nfs/dbraw/zinc/50/35/74/492503574.db2.gz BOWPAYFFYGSSEU-XAUMDUMWSA-N 2 1 374.460 0.633 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000649132987 492503699 /nfs/dbraw/zinc/50/36/99/492503699.db2.gz WHWDVRQOJFLXMB-OAQYLSRUSA-N 2 1 373.497 0.947 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643594500 492503773 /nfs/dbraw/zinc/50/37/73/492503773.db2.gz IIPCVCANYRSFIZ-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649315708 492529606 /nfs/dbraw/zinc/52/96/06/492529606.db2.gz CVERYRYLMXDELH-JKSUJKDBSA-N 2 1 360.458 0.558 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321229 492532107 /nfs/dbraw/zinc/53/21/07/492532107.db2.gz PEZKBWXOJCQEAO-QZTJIDSGSA-N 2 1 374.485 0.236 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075650 492536338 /nfs/dbraw/zinc/53/63/38/492536338.db2.gz QPDFIAUNIPJBCG-NCOADZHNSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075651 492536748 /nfs/dbraw/zinc/53/67/48/492536748.db2.gz QPDFIAUNIPJBCG-NXOAAHMSSA-N 2 1 368.522 0.399 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000649641390 492567289 /nfs/dbraw/zinc/56/72/89/492567289.db2.gz NZHRKTGUMDOMCN-UHFFFAOYSA-N 2 1 371.445 0.167 20 0 FCADMP CNC(=O)C[C@@]1(O)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643818061 492576521 /nfs/dbraw/zinc/57/65/21/492576521.db2.gz HLEULKZFWJWJBQ-FQEVSTJZSA-N 2 1 361.486 0.982 20 0 FCADMP CNC(=O)C[C@@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643818061 492576523 /nfs/dbraw/zinc/57/65/23/492576523.db2.gz HLEULKZFWJWJBQ-FQEVSTJZSA-N 2 1 361.486 0.982 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623725397 492586588 /nfs/dbraw/zinc/58/65/88/492586588.db2.gz YAWAQFNMSWKMGT-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623725397 492586590 /nfs/dbraw/zinc/58/65/90/492586590.db2.gz YAWAQFNMSWKMGT-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656320896 492591690 /nfs/dbraw/zinc/59/16/90/492591690.db2.gz XCMYJMUQXZTFAM-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656320896 492591692 /nfs/dbraw/zinc/59/16/92/492591692.db2.gz XCMYJMUQXZTFAM-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656320896 492591694 /nfs/dbraw/zinc/59/16/94/492591694.db2.gz XCMYJMUQXZTFAM-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354721 492608513 /nfs/dbraw/zinc/60/85/13/492608513.db2.gz GRMJTXBWPJZHAY-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354721 492608516 /nfs/dbraw/zinc/60/85/16/492608516.db2.gz GRMJTXBWPJZHAY-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354721 492608521 /nfs/dbraw/zinc/60/85/21/492608521.db2.gz GRMJTXBWPJZHAY-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354721 492608528 /nfs/dbraw/zinc/60/85/28/492608528.db2.gz GRMJTXBWPJZHAY-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656360638 492612714 /nfs/dbraw/zinc/61/27/14/492612714.db2.gz UTTUSZMXQYQZIY-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000636536380 492613282 /nfs/dbraw/zinc/61/32/82/492613282.db2.gz FWQXYTFBSMSFRW-MRXNPFEDSA-N 2 1 350.463 0.493 20 0 FCADMP Nc1nc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000624212645 492627731 /nfs/dbraw/zinc/62/77/31/492627731.db2.gz QQKLQBCNOMABNV-OAHLLOKOSA-N 2 1 354.462 0.093 20 0 FCADMP O[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC000629558504 492644595 /nfs/dbraw/zinc/64/45/95/492644595.db2.gz BASPJUWHPVHLDH-SFHVURJKSA-N 2 1 362.522 0.425 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563482 492645674 /nfs/dbraw/zinc/64/56/74/492645674.db2.gz QXXYBSWZBNPQHO-BFHYXJOUSA-N 2 1 350.429 0.998 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000644195563 492666230 /nfs/dbraw/zinc/66/62/30/492666230.db2.gz DAFYYNOVVWCBDQ-MRXNPFEDSA-N 2 1 373.501 0.677 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000644195563 492666232 /nfs/dbraw/zinc/66/62/32/492666232.db2.gz DAFYYNOVVWCBDQ-MRXNPFEDSA-N 2 1 373.501 0.677 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624787024 492683541 /nfs/dbraw/zinc/68/35/41/492683541.db2.gz OLALZXBITBMCMD-GOEBONIOSA-N 2 1 351.495 0.765 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000636769094 492688285 /nfs/dbraw/zinc/68/82/85/492688285.db2.gz ZNWYLNDQFBKJFC-XWTMOSNGSA-N 2 1 367.538 0.515 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000636769094 492688289 /nfs/dbraw/zinc/68/82/89/492688289.db2.gz ZNWYLNDQFBKJFC-XWTMOSNGSA-N 2 1 367.538 0.515 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651178357 492718659 /nfs/dbraw/zinc/71/86/59/492718659.db2.gz HIPUXNCJHJOBSQ-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CCN1C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000651317225 492741805 /nfs/dbraw/zinc/74/18/05/492741805.db2.gz GQEKPYFKOVXHMJ-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000651348011 492745018 /nfs/dbraw/zinc/74/50/18/492745018.db2.gz BVZVDSDBFUANKA-IRXDYDNUSA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000651348011 492745020 /nfs/dbraw/zinc/74/50/20/492745020.db2.gz BVZVDSDBFUANKA-IRXDYDNUSA-N 2 1 361.490 0.277 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644444323 492755925 /nfs/dbraw/zinc/75/59/25/492755925.db2.gz VZMQCVXVYBXWFR-KFWWJZLASA-N 2 1 350.467 0.554 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)CC1 ZINC000625390299 492772421 /nfs/dbraw/zinc/77/24/21/492772421.db2.gz QBELLDUQVVAXGP-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)CC1 ZINC000625390299 492772423 /nfs/dbraw/zinc/77/24/23/492772423.db2.gz QBELLDUQVVAXGP-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](O)C2)CC1(C)C ZINC000644497333 492773327 /nfs/dbraw/zinc/77/33/27/492773327.db2.gz DMAFSKNANRULLF-BBWFWOEESA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1(C)C ZINC000644497333 492773328 /nfs/dbraw/zinc/77/33/28/492773328.db2.gz DMAFSKNANRULLF-BBWFWOEESA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1(C)C ZINC000644497333 492773329 /nfs/dbraw/zinc/77/33/29/492773329.db2.gz DMAFSKNANRULLF-BBWFWOEESA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC(=O)N(C(C)(C)C)C3)cn2)CC1 ZINC000657754792 492790753 /nfs/dbraw/zinc/79/07/53/492790753.db2.gz XXALHGGACBCMHZ-OAHLLOKOSA-N 2 1 360.506 0.965 20 0 FCADMP O[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000631049691 492795372 /nfs/dbraw/zinc/79/53/72/492795372.db2.gz KLGLWUSOXHUPHQ-LJQANCHMSA-N 2 1 363.502 0.944 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196436 492803448 /nfs/dbraw/zinc/80/34/48/492803448.db2.gz RPXUIEHEXGQRCU-NVXWUHKLSA-N 2 1 356.470 0.942 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870262 492806416 /nfs/dbraw/zinc/80/64/16/492806416.db2.gz ISFFUYMQVXMNDY-INIZCTEOSA-N 2 1 359.474 0.530 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000657873606 492807299 /nfs/dbraw/zinc/80/72/99/492807299.db2.gz LGRRVXYVXQTXJZ-KRWDZBQOSA-N 2 1 359.474 0.529 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000657873606 492807302 /nfs/dbraw/zinc/80/73/02/492807302.db2.gz LGRRVXYVXQTXJZ-KRWDZBQOSA-N 2 1 359.474 0.529 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873518 492807633 /nfs/dbraw/zinc/80/76/33/492807633.db2.gz IPNWQJLPMXTHCU-FQEVSTJZSA-N 2 1 371.485 0.675 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C2CC2)C1 ZINC000651715807 492811602 /nfs/dbraw/zinc/81/16/02/492811602.db2.gz OULZYSCMBVHNAQ-CQSZACIVSA-N 2 1 362.478 0.326 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637374870 492815119 /nfs/dbraw/zinc/81/51/19/492815119.db2.gz KWERXECUCQLMBP-HNNXBMFYSA-N 2 1 353.511 0.842 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000651848995 492834525 /nfs/dbraw/zinc/83/45/25/492834525.db2.gz PLRCYIQZTZXMIC-AWEZNQCLSA-N 2 1 350.467 0.231 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000631794988 492854646 /nfs/dbraw/zinc/85/46/46/492854646.db2.gz CKWMJJNECSIYLM-OAHLLOKOSA-N 2 1 374.576 0.908 20 0 FCADMP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820786 492858571 /nfs/dbraw/zinc/85/85/71/492858571.db2.gz GGJZDSNMYLXOCP-OAHLLOKOSA-N 2 1 362.478 0.375 20 0 FCADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820786 492858574 /nfs/dbraw/zinc/85/85/74/492858574.db2.gz GGJZDSNMYLXOCP-OAHLLOKOSA-N 2 1 362.478 0.375 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631857018 492864695 /nfs/dbraw/zinc/86/46/95/492864695.db2.gz CJKQIECRYXFMQW-CALCHBBNSA-N 2 1 360.568 0.758 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645154515 492874076 /nfs/dbraw/zinc/87/40/76/492874076.db2.gz GGJBGNCLBGZDLH-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000631924972 492887045 /nfs/dbraw/zinc/88/70/45/492887045.db2.gz JOEIWNWPFKRKLK-UHFFFAOYSA-N 2 1 358.483 0.776 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000631924972 492887047 /nfs/dbraw/zinc/88/70/47/492887047.db2.gz JOEIWNWPFKRKLK-UHFFFAOYSA-N 2 1 358.483 0.776 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652154391 492887752 /nfs/dbraw/zinc/88/77/52/492887752.db2.gz DKKREGWUHDECPI-VVLHAWIVSA-N 2 1 354.495 0.635 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000652153907 492887892 /nfs/dbraw/zinc/88/78/92/492887892.db2.gz RQNFFEZPIUYISZ-KRWDZBQOSA-N 2 1 353.511 0.082 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638104552 492906504 /nfs/dbraw/zinc/90/65/04/492906504.db2.gz JLFKKQAEOMGWDC-SDDRHHMPSA-N 2 1 372.420 0.277 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638104552 492906508 /nfs/dbraw/zinc/90/65/08/492906508.db2.gz JLFKKQAEOMGWDC-SDDRHHMPSA-N 2 1 372.420 0.277 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000632018854 492911168 /nfs/dbraw/zinc/91/11/68/492911168.db2.gz KMCKJZDZNNERDK-IAGOWNOFSA-N 2 1 360.568 0.758 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346794 492913503 /nfs/dbraw/zinc/91/35/03/492913503.db2.gz IKRDLFRARFKOBB-XHSDSOJGSA-N 2 1 354.495 0.189 20 0 FCADMP COC[C@]1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]C1 ZINC000645507821 492916218 /nfs/dbraw/zinc/91/62/18/492916218.db2.gz XHQWWGBRUHKVOM-FQEVSTJZSA-N 2 1 360.502 0.676 20 0 FCADMP CCC1(N2CCOCC2)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000626088499 492928927 /nfs/dbraw/zinc/92/89/27/492928927.db2.gz AZZSQPASPSSZNC-UHFFFAOYSA-N 2 1 352.523 0.727 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000632197016 492947937 /nfs/dbraw/zinc/94/79/37/492947937.db2.gz FTQDWLAYTBSYAW-QGZVFWFLSA-N 2 1 355.504 0.624 20 0 FCADMP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000645781532 492975300 /nfs/dbraw/zinc/97/53/00/492975300.db2.gz VWVRLQIQYRBTPS-YJBOKZPZSA-N 2 1 358.486 0.808 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000645819329 492977408 /nfs/dbraw/zinc/97/74/08/492977408.db2.gz LCUQJUXZCFNMHO-SFHVURJKSA-N 2 1 362.478 0.328 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903948 492985333 /nfs/dbraw/zinc/98/53/33/492985333.db2.gz JGDQJSSBMOPPAU-FUHWJXTLSA-N 2 1 369.473 0.817 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000645925819 492988432 /nfs/dbraw/zinc/98/84/32/492988432.db2.gz SZQXWJUXMQAKJZ-QGZVFWFLSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000645925714 492988509 /nfs/dbraw/zinc/98/85/09/492988509.db2.gz MGKFIQAKLVJZHV-CABCVRRESA-N 2 1 361.490 0.819 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684572 492989788 /nfs/dbraw/zinc/98/97/88/492989788.db2.gz ROWUBUHKKYARPG-LUKYLMHMSA-N 2 1 368.522 0.578 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693219 492991904 /nfs/dbraw/zinc/99/19/04/492991904.db2.gz PPEBSOJPAZSLQL-GVDBMIGSSA-N 2 1 368.522 0.579 20 0 FCADMP CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000645952742 492992122 /nfs/dbraw/zinc/99/21/22/492992122.db2.gz MPUFPKDIEYPMMD-IRXDYDNUSA-N 2 1 358.486 0.998 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652696506 492992931 /nfs/dbraw/zinc/99/29/31/492992931.db2.gz MEXRAJNNBWYEOI-ABHNRTSZSA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652696506 492992934 /nfs/dbraw/zinc/99/29/34/492992934.db2.gz MEXRAJNNBWYEOI-ABHNRTSZSA-N 2 1 358.486 0.758 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000652704538 492995511 /nfs/dbraw/zinc/99/55/11/492995511.db2.gz MXWFGJDHRZFHRX-MRXNPFEDSA-N 2 1 354.495 0.252 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003162 492998786 /nfs/dbraw/zinc/99/87/86/492998786.db2.gz VCVINLINPWAVDG-MSOLQXFVSA-N 2 1 360.506 0.660 20 0 FCADMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009513 493000252 /nfs/dbraw/zinc/00/02/52/493000252.db2.gz OPSPYJAQNVOOBP-OALUTQOASA-N 2 1 360.502 0.469 20 0 FCADMP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009512 493000317 /nfs/dbraw/zinc/00/03/17/493000317.db2.gz OPSPYJAQNVOOBP-MOPGFXCFSA-N 2 1 360.502 0.469 20 0 FCADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000646009514 493000584 /nfs/dbraw/zinc/00/05/84/493000584.db2.gz OPSPYJAQNVOOBP-RBUKOAKNSA-N 2 1 360.502 0.469 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639171547 493001419 /nfs/dbraw/zinc/00/14/19/493001419.db2.gz WGMAHKBAQAEEBX-AWEZNQCLSA-N 2 1 358.508 0.775 20 0 FCADMP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)CC1 ZINC000632489862 493008430 /nfs/dbraw/zinc/00/84/30/493008430.db2.gz VNAPYNHUCBZVKR-UHFFFAOYSA-N 2 1 372.579 0.902 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000646057444 493008479 /nfs/dbraw/zinc/00/84/79/493008479.db2.gz AWMBAQPXOQFPJM-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000646057444 493008483 /nfs/dbraw/zinc/00/84/83/493008483.db2.gz AWMBAQPXOQFPJM-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652734556 493011659 /nfs/dbraw/zinc/01/16/59/493011659.db2.gz OSRDEHWWSUUTDH-BBWFWOEESA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737113 493012993 /nfs/dbraw/zinc/01/29/93/493012993.db2.gz ZQWBJUWBKVEPPA-RYQLBKOJSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737113 493012999 /nfs/dbraw/zinc/01/29/99/493012999.db2.gz ZQWBJUWBKVEPPA-RYQLBKOJSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652737120 493013078 /nfs/dbraw/zinc/01/30/78/493013078.db2.gz ZWXKCGPKCJDWHC-QFBILLFUSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652737120 493013082 /nfs/dbraw/zinc/01/30/82/493013082.db2.gz ZWXKCGPKCJDWHC-QFBILLFUSA-N 2 1 372.513 0.958 20 0 FCADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000646139756 493018014 /nfs/dbraw/zinc/01/80/14/493018014.db2.gz YWLJNRMUGJLSGB-YESZJQIVSA-N 2 1 359.536 0.338 20 0 FCADMP CNS(=O)(=O)[C@@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545125 493019173 /nfs/dbraw/zinc/01/91/73/493019173.db2.gz REIIZAOUEMCRGR-IAGOWNOFSA-N 2 1 353.488 0.247 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)N1 ZINC000639616670 493023060 /nfs/dbraw/zinc/02/30/60/493023060.db2.gz CJOAXUZSQKHQJM-MOPGFXCFSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616670 493023064 /nfs/dbraw/zinc/02/30/64/493023064.db2.gz CJOAXUZSQKHQJM-MOPGFXCFSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000639616670 493023066 /nfs/dbraw/zinc/02/30/66/493023066.db2.gz CJOAXUZSQKHQJM-MOPGFXCFSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616670 493023070 /nfs/dbraw/zinc/02/30/70/493023070.db2.gz CJOAXUZSQKHQJM-MOPGFXCFSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)[C@@]2(CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)N1 ZINC000639616670 493023072 /nfs/dbraw/zinc/02/30/72/493023072.db2.gz CJOAXUZSQKHQJM-MOPGFXCFSA-N 2 1 358.442 0.297 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@@H]2C1 ZINC000626811428 493024576 /nfs/dbraw/zinc/02/45/76/493024576.db2.gz DKYDJRPQVXGXKP-CZUORRHYSA-N 2 1 358.442 0.660 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000632578837 493036468 /nfs/dbraw/zinc/03/64/68/493036468.db2.gz FTUFQUNYNQVZQK-GOSISDBHSA-N 2 1 372.579 0.665 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639849633 493055689 /nfs/dbraw/zinc/05/56/89/493055689.db2.gz PWLBXVYFQCCSMT-VNTMZGSJSA-N 2 1 364.486 0.322 20 0 FCADMP [NH3+]Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc(C(F)(F)F)c1 ZINC000626915851 493062412 /nfs/dbraw/zinc/06/24/12/493062412.db2.gz YXDBOOVHRMCPDD-ZDUSSCGKSA-N 2 1 374.363 0.285 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000626918346 493062558 /nfs/dbraw/zinc/06/25/58/493062558.db2.gz ZGNZZPSXHFUIRG-STQMWFEESA-N 2 1 352.401 0.877 20 0 FCADMP C[C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000626936550 493067598 /nfs/dbraw/zinc/06/75/98/493067598.db2.gz IZFVIHABMYGVMY-QGZVFWFLSA-N 2 1 363.506 0.814 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626975499 493073126 /nfs/dbraw/zinc/07/31/26/493073126.db2.gz YACKFCSVHSWPJC-UPJWGTAASA-N 2 1 351.417 0.401 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000626982240 493074605 /nfs/dbraw/zinc/07/46/05/493074605.db2.gz DDVMICLYPLJNPW-RWMBFGLXSA-N 2 1 352.401 0.876 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653124641 493075323 /nfs/dbraw/zinc/07/53/23/493075323.db2.gz CMRDKKMFDVWETI-QYZOEREBSA-N 2 1 364.534 0.770 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)(N2CCCCC2)CC1 ZINC000653125137 493076227 /nfs/dbraw/zinc/07/62/27/493076227.db2.gz UBJQLIUNZRNEPS-LPHOPBHVSA-N 2 1 350.507 0.289 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003167 493078334 /nfs/dbraw/zinc/07/83/34/493078334.db2.gz IGRXVFHIVZOJFY-UAGQMJEPSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003167 493078337 /nfs/dbraw/zinc/07/83/37/493078337.db2.gz IGRXVFHIVZOJFY-UAGQMJEPSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003132 493078375 /nfs/dbraw/zinc/07/83/75/493078375.db2.gz HROTXDOEWVLYGN-RNJOBUHISA-N 2 1 352.401 0.874 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003132 493078379 /nfs/dbraw/zinc/07/83/79/493078379.db2.gz HROTXDOEWVLYGN-RNJOBUHISA-N 2 1 352.401 0.874 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000627011958 493080034 /nfs/dbraw/zinc/08/00/34/493080034.db2.gz NJINSZONBYLMIR-QGZVFWFLSA-N 2 1 350.463 0.370 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627019896 493082070 /nfs/dbraw/zinc/08/20/70/493082070.db2.gz UKEONGVMLGGRGA-SFHVURJKSA-N 2 1 364.490 0.894 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658939530 493113767 /nfs/dbraw/zinc/11/37/67/493113767.db2.gz SIRIZGSAVPHDGT-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658939530 493113772 /nfs/dbraw/zinc/11/37/72/493113772.db2.gz SIRIZGSAVPHDGT-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259661 493121915 /nfs/dbraw/zinc/12/19/15/493121915.db2.gz XHBHHQHJWCPJRE-UXHICEINSA-N 2 1 372.513 0.715 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000659027298 493127039 /nfs/dbraw/zinc/12/70/39/493127039.db2.gz JQZHYXISUADNEF-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000659027298 493127043 /nfs/dbraw/zinc/12/70/43/493127043.db2.gz JQZHYXISUADNEF-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000633115745 493132654 /nfs/dbraw/zinc/13/26/54/493132654.db2.gz WLCWEENBDXEXSF-WFXMLNOXSA-N 2 1 368.481 0.684 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)NCCOc3ccccc3)nn2)CC1 ZINC000640845679 493136149 /nfs/dbraw/zinc/13/61/49/493136149.db2.gz VQKDUGKHTUWZIF-UHFFFAOYSA-N 2 1 372.473 0.439 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627291943 493136406 /nfs/dbraw/zinc/13/64/06/493136406.db2.gz ISFGKGDGSGFBLN-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000627305008 493143504 /nfs/dbraw/zinc/14/35/04/493143504.db2.gz LJDYWHOHZBYVRZ-LPWJVIDDSA-N 2 1 364.412 0.571 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000647021447 493146240 /nfs/dbraw/zinc/14/62/40/493146240.db2.gz PHZUUFBVUMHEDU-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000647021447 493146241 /nfs/dbraw/zinc/14/62/41/493146241.db2.gz PHZUUFBVUMHEDU-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647021450 493146458 /nfs/dbraw/zinc/14/64/58/493146458.db2.gz PHZUUFBVUMHEDU-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647021450 493146461 /nfs/dbraw/zinc/14/64/61/493146461.db2.gz PHZUUFBVUMHEDU-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647058542 493155160 /nfs/dbraw/zinc/15/51/60/493155160.db2.gz PSNWYLTVAVIENI-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647058542 493155163 /nfs/dbraw/zinc/15/51/63/493155163.db2.gz PSNWYLTVAVIENI-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647058542 493155165 /nfs/dbraw/zinc/15/51/65/493155165.db2.gz PSNWYLTVAVIENI-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)n1cc(CC[NH3+])nn1 ZINC000641029368 493162299 /nfs/dbraw/zinc/16/22/99/493162299.db2.gz HPJUPYABXZDMHL-HNNXBMFYSA-N 2 1 372.473 0.489 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H](C)O1 ZINC000659429723 493174490 /nfs/dbraw/zinc/17/44/90/493174490.db2.gz ATTPEJVRHKRYQN-VXGBXAGGSA-N 2 1 366.466 0.328 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]2CCCC2)o1 ZINC000627365338 493179925 /nfs/dbraw/zinc/17/99/25/493179925.db2.gz MCZLOCGOQIWKNZ-OAHLLOKOSA-N 2 1 366.462 0.275 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627366341 493181156 /nfs/dbraw/zinc/18/11/56/493181156.db2.gz PLQRARUFUYPIJD-QGZVFWFLSA-N 2 1 362.474 0.058 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000659456119 493183015 /nfs/dbraw/zinc/18/30/15/493183015.db2.gz HVPOXHJVSAIYHS-ZACQAIPSSA-N 2 1 353.511 0.162 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000627368538 493183233 /nfs/dbraw/zinc/18/32/33/493183233.db2.gz XHUKAWUNKXHERU-NFAWXSAZSA-N 2 1 350.488 0.725 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659453310 493183988 /nfs/dbraw/zinc/18/39/88/493183988.db2.gz KYAXQCMVQINRMX-KZNAEPCWSA-N 2 1 363.481 0.816 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659470734 493188640 /nfs/dbraw/zinc/18/86/40/493188640.db2.gz IKVYAHUYMDKLAH-ZDUSSCGKSA-N 2 1 350.467 0.808 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000659470804 493188815 /nfs/dbraw/zinc/18/88/15/493188815.db2.gz HKHRJJWIAWRXPC-KBPBESRZSA-N 2 1 364.450 0.084 20 0 FCADMP CC[N@@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)CCC(F)(F)F ZINC000659485640 493192040 /nfs/dbraw/zinc/19/20/40/493192040.db2.gz WMPLAQRRZPNVOK-UHFFFAOYSA-N 2 1 364.372 0.714 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627393761 493199780 /nfs/dbraw/zinc/19/97/80/493199780.db2.gz JQARDLIDHAOMBQ-ZWKOTPCHSA-N 2 1 374.485 0.118 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659508192 493202234 /nfs/dbraw/zinc/20/22/34/493202234.db2.gz OHKYGGDGSWQAQC-GOSISDBHSA-N 2 1 373.501 0.377 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627402216 493204139 /nfs/dbraw/zinc/20/41/39/493204139.db2.gz XRTYFMBVKSEZSU-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627402216 493204142 /nfs/dbraw/zinc/20/41/42/493204142.db2.gz XRTYFMBVKSEZSU-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000681765322 493215262 /nfs/dbraw/zinc/21/52/62/493215262.db2.gz NRTOXEUOYZVRKT-TZIWHRDSSA-N 2 1 372.513 0.472 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000681765322 493215266 /nfs/dbraw/zinc/21/52/66/493215266.db2.gz NRTOXEUOYZVRKT-TZIWHRDSSA-N 2 1 372.513 0.472 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672722982 493240240 /nfs/dbraw/zinc/24/02/40/493240240.db2.gz MSRQMBYXZFDGQV-KKUMJFAQSA-N 2 1 356.511 0.304 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672722982 493240242 /nfs/dbraw/zinc/24/02/42/493240242.db2.gz MSRQMBYXZFDGQV-KKUMJFAQSA-N 2 1 356.511 0.304 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666973240 493242969 /nfs/dbraw/zinc/24/29/69/493242969.db2.gz SEDWMNNMWZPKNF-KRWDZBQOSA-N 2 1 354.495 0.603 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659687768 493253306 /nfs/dbraw/zinc/25/33/06/493253306.db2.gz MLGPEKRDCDNNQL-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659687767 493253603 /nfs/dbraw/zinc/25/36/03/493253603.db2.gz MLGPEKRDCDNNQL-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000659688336 493254649 /nfs/dbraw/zinc/25/46/49/493254649.db2.gz XVPUCVNHIUKIRB-FCGDIQPGSA-N 2 1 370.497 0.881 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659695082 493258039 /nfs/dbraw/zinc/25/80/39/493258039.db2.gz RHTMYORUNGRGHF-QGPMSJSTSA-N 2 1 362.518 0.824 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000667151286 493262242 /nfs/dbraw/zinc/26/22/42/493262242.db2.gz GIUOLGMGHJSPBP-HNNXBMFYSA-N 2 1 350.467 0.508 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719534 493271266 /nfs/dbraw/zinc/27/12/66/493271266.db2.gz YSVHTLXLYQMFGP-DZKIICNBSA-N 2 1 366.506 0.739 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666518 493272985 /nfs/dbraw/zinc/27/29/85/493272985.db2.gz FQJVZKCQSJLGBY-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641666518 493272989 /nfs/dbraw/zinc/27/29/89/493272989.db2.gz FQJVZKCQSJLGBY-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666518 493272992 /nfs/dbraw/zinc/27/29/92/493272992.db2.gz FQJVZKCQSJLGBY-ZWKOTPCHSA-N 2 1 352.523 0.774 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000659732252 493277676 /nfs/dbraw/zinc/27/76/76/493277676.db2.gz UMWRDULORCUKPT-FHWLQOOXSA-N 2 1 370.497 0.978 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659738642 493279955 /nfs/dbraw/zinc/27/99/55/493279955.db2.gz HIWJPFLJLDEZQT-BBWFWOEESA-N 2 1 366.506 0.332 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000659750986 493286156 /nfs/dbraw/zinc/28/61/56/493286156.db2.gz DZXSLLOCFOXENM-OAHLLOKOSA-N 2 1 362.474 0.454 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000659750986 493286157 /nfs/dbraw/zinc/28/61/57/493286157.db2.gz DZXSLLOCFOXENM-OAHLLOKOSA-N 2 1 362.474 0.454 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660710283 493374334 /nfs/dbraw/zinc/37/43/34/493374334.db2.gz LZCRQOLDDGNLER-HNNXBMFYSA-N 2 1 353.511 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660710283 493374336 /nfs/dbraw/zinc/37/43/36/493374336.db2.gz LZCRQOLDDGNLER-HNNXBMFYSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000660709301 493374516 /nfs/dbraw/zinc/37/45/16/493374516.db2.gz BZMAJPNUDMADNA-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660709106 493374608 /nfs/dbraw/zinc/37/46/08/493374608.db2.gz ZVOGJXHWONMHRA-GOSISDBHSA-N 2 1 368.522 0.897 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660709106 493374611 /nfs/dbraw/zinc/37/46/11/493374611.db2.gz ZVOGJXHWONMHRA-GOSISDBHSA-N 2 1 368.522 0.897 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201583 493401163 /nfs/dbraw/zinc/40/11/63/493401163.db2.gz XFFKRFXJUCRFAX-MSOLQXFVSA-N 2 1 362.522 0.652 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201595 493401376 /nfs/dbraw/zinc/40/13/76/493401376.db2.gz XFFKRFXJUCRFAX-ROUUACIJSA-N 2 1 362.522 0.652 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795804 493412341 /nfs/dbraw/zinc/41/23/41/493412341.db2.gz HKHYOUDNJXNNHT-MAUKXSAKSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795804 493412344 /nfs/dbraw/zinc/41/23/44/493412344.db2.gz HKHYOUDNJXNNHT-MAUKXSAKSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000668795804 493412347 /nfs/dbraw/zinc/41/23/47/493412347.db2.gz HKHYOUDNJXNNHT-MAUKXSAKSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000668795804 493412348 /nfs/dbraw/zinc/41/23/48/493412348.db2.gz HKHYOUDNJXNNHT-MAUKXSAKSA-N 2 1 358.486 0.976 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000668826704 493416272 /nfs/dbraw/zinc/41/62/72/493416272.db2.gz JMGSGKUBQWTGHG-GOSISDBHSA-N 2 1 362.518 0.825 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000668826705 493416392 /nfs/dbraw/zinc/41/63/92/493416392.db2.gz JMGSGKUBQWTGHG-SFHVURJKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661598085 493449915 /nfs/dbraw/zinc/44/99/15/493449915.db2.gz ODGPNRUCBLKULX-ZBRFXRBCSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661598085 493449916 /nfs/dbraw/zinc/44/99/16/493449916.db2.gz ODGPNRUCBLKULX-ZBRFXRBCSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661598085 493449919 /nfs/dbraw/zinc/44/99/19/493449919.db2.gz ODGPNRUCBLKULX-ZBRFXRBCSA-N 2 1 362.518 0.966 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669063165 493459786 /nfs/dbraw/zinc/45/97/86/493459786.db2.gz ULQIUWJSYWRLOP-SJORKVTESA-N 2 1 373.505 0.382 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000669104544 493463190 /nfs/dbraw/zinc/46/31/90/493463190.db2.gz KMXANDISUXATBQ-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000669104544 493463191 /nfs/dbraw/zinc/46/31/91/493463191.db2.gz KMXANDISUXATBQ-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000685310746 493474461 /nfs/dbraw/zinc/47/44/61/493474461.db2.gz IETOVUPLGULMDG-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000685310746 493474462 /nfs/dbraw/zinc/47/44/62/493474462.db2.gz IETOVUPLGULMDG-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000685310746 493474463 /nfs/dbraw/zinc/47/44/63/493474463.db2.gz IETOVUPLGULMDG-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685337833 493478334 /nfs/dbraw/zinc/47/83/34/493478334.db2.gz JGUSIGLFMBXNSB-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685337833 493478337 /nfs/dbraw/zinc/47/83/37/493478337.db2.gz JGUSIGLFMBXNSB-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685337833 493478339 /nfs/dbraw/zinc/47/83/39/493478339.db2.gz JGUSIGLFMBXNSB-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685337833 493478343 /nfs/dbraw/zinc/47/83/43/493478343.db2.gz JGUSIGLFMBXNSB-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685337177 493478837 /nfs/dbraw/zinc/47/88/37/493478837.db2.gz DQFAEFTXTCODRO-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685337177 493478838 /nfs/dbraw/zinc/47/88/38/493478838.db2.gz DQFAEFTXTCODRO-HZPDHXFCSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000669224008 493479142 /nfs/dbraw/zinc/47/91/42/493479142.db2.gz QEKDEMCYNVHYOK-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685340308 493479596 /nfs/dbraw/zinc/47/95/96/493479596.db2.gz QBKNIDHWPXMDTJ-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340308 493479598 /nfs/dbraw/zinc/47/95/98/493479598.db2.gz QBKNIDHWPXMDTJ-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342713 493481440 /nfs/dbraw/zinc/48/14/40/493481440.db2.gz LFCLQNBASUXYJA-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342713 493481437 /nfs/dbraw/zinc/48/14/37/493481437.db2.gz LFCLQNBASUXYJA-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342713 493481442 /nfs/dbraw/zinc/48/14/42/493481442.db2.gz LFCLQNBASUXYJA-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342713 493481445 /nfs/dbraw/zinc/48/14/45/493481445.db2.gz LFCLQNBASUXYJA-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685342985 493481697 /nfs/dbraw/zinc/48/16/97/493481697.db2.gz RHRVDXLDOPXDAL-SQWLQELKSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342985 493481699 /nfs/dbraw/zinc/48/16/99/493481699.db2.gz RHRVDXLDOPXDAL-SQWLQELKSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343574 493482368 /nfs/dbraw/zinc/48/23/68/493482368.db2.gz MWZVQBXUKLJMGZ-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343574 493482370 /nfs/dbraw/zinc/48/23/70/493482370.db2.gz MWZVQBXUKLJMGZ-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154257 493493312 /nfs/dbraw/zinc/49/33/12/493493312.db2.gz GMMVDVZTTAUELQ-KRWDZBQOSA-N 2 1 360.458 0.645 20 0 FCADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154257 493493314 /nfs/dbraw/zinc/49/33/14/493493314.db2.gz GMMVDVZTTAUELQ-KRWDZBQOSA-N 2 1 360.458 0.645 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000662159319 493494012 /nfs/dbraw/zinc/49/40/12/493494012.db2.gz XUTKLIUFOXLYJV-GOSISDBHSA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498071 /nfs/dbraw/zinc/49/80/71/493498071.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498075 /nfs/dbraw/zinc/49/80/75/493498075.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498078 /nfs/dbraw/zinc/49/80/78/493498078.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222555 493498737 /nfs/dbraw/zinc/49/87/37/493498737.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222555 493498738 /nfs/dbraw/zinc/49/87/38/493498738.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 2 1 372.598 0.783 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222555 493498740 /nfs/dbraw/zinc/49/87/40/493498740.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 2 1 372.598 0.783 20 0 FCADMP O=C(CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)N1CCOCC1 ZINC000662257684 493500821 /nfs/dbraw/zinc/50/08/21/493500821.db2.gz FNWGWJUYRURUGK-UHFFFAOYSA-N 2 1 358.486 0.309 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000662293784 493504817 /nfs/dbraw/zinc/50/48/17/493504817.db2.gz NTRJFFURCJLABW-SFHVURJKSA-N 2 1 372.517 0.837 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486529 493506460 /nfs/dbraw/zinc/50/64/60/493506460.db2.gz UPPGBQXJAQURET-BBWFWOEESA-N 2 1 353.511 0.304 20 0 FCADMP C[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000669486470 493506558 /nfs/dbraw/zinc/50/65/58/493506558.db2.gz NETGBMNTFOXNJM-AEFFLSMTSA-N 2 1 353.511 0.082 20 0 FCADMP CCS(=O)(=O)NCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326784 493506821 /nfs/dbraw/zinc/50/68/21/493506821.db2.gz BYTXZRDYYWSRDE-UHFFFAOYSA-N 2 1 369.535 0.995 20 0 FCADMP CCS(=O)(=O)NCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326784 493506824 /nfs/dbraw/zinc/50/68/24/493506824.db2.gz BYTXZRDYYWSRDE-UHFFFAOYSA-N 2 1 369.535 0.995 20 0 FCADMP Cn1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1=O ZINC000662337953 493507450 /nfs/dbraw/zinc/50/74/50/493507450.db2.gz OECTWSJQTWMPEP-MRXNPFEDSA-N 2 1 356.474 0.898 20 0 FCADMP O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338935 493507699 /nfs/dbraw/zinc/50/76/99/493507699.db2.gz XGGWODVPUGBGJV-CQSZACIVSA-N 2 1 360.462 0.148 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669585434 493512697 /nfs/dbraw/zinc/51/26/97/493512697.db2.gz ILTYYJRSIGQFCU-IRXDYDNUSA-N 2 1 365.522 0.714 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000662528989 493523444 /nfs/dbraw/zinc/52/34/44/493523444.db2.gz KULXNZCKIMPGND-BPLDGKMQSA-N 2 1 350.467 0.038 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@H+]1C[C@@H](C)O ZINC000662528989 493523446 /nfs/dbraw/zinc/52/34/46/493523446.db2.gz KULXNZCKIMPGND-BPLDGKMQSA-N 2 1 350.467 0.038 20 0 FCADMP [NH3+][C@H]1C[C@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000662679045 493531661 /nfs/dbraw/zinc/53/16/61/493531661.db2.gz MROYFHQNLLHSQU-WKILWMFISA-N 2 1 360.458 0.701 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662715373 493534127 /nfs/dbraw/zinc/53/41/27/493534127.db2.gz HOCGAVIQURUMNB-QGZVFWFLSA-N 2 1 368.428 0.977 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721069 493534938 /nfs/dbraw/zinc/53/49/38/493534938.db2.gz PUAZULUPNFUFMI-RTBURBONSA-N 2 1 360.502 0.626 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000676250798 493535169 /nfs/dbraw/zinc/53/51/69/493535169.db2.gz JKXMQKFVTFUNOT-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000676250798 493535170 /nfs/dbraw/zinc/53/51/70/493535170.db2.gz JKXMQKFVTFUNOT-BBWFWOEESA-N 2 1 356.511 0.848 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662758778 493539936 /nfs/dbraw/zinc/53/99/36/493539936.db2.gz TUJDNNADCIZWAU-MOPGFXCFSA-N 2 1 360.502 0.674 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000662758572 493540065 /nfs/dbraw/zinc/54/00/65/493540065.db2.gz QLKDMABSXXJBSW-PBHICJAKSA-N 2 1 373.457 0.740 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000676287984 493541815 /nfs/dbraw/zinc/54/18/15/493541815.db2.gz YTKHTUMUIXNCHA-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000676287984 493541817 /nfs/dbraw/zinc/54/18/17/493541817.db2.gz YTKHTUMUIXNCHA-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000676287984 493541818 /nfs/dbraw/zinc/54/18/18/493541818.db2.gz YTKHTUMUIXNCHA-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000676287984 493541820 /nfs/dbraw/zinc/54/18/20/493541820.db2.gz YTKHTUMUIXNCHA-YLFCFFPRSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676308477 493544324 /nfs/dbraw/zinc/54/43/24/493544324.db2.gz XDPHRZILQARDTM-IAGOWNOFSA-N 3 1 357.543 0.621 20 0 FCADMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676308477 493544325 /nfs/dbraw/zinc/54/43/25/493544325.db2.gz XDPHRZILQARDTM-IAGOWNOFSA-N 3 1 357.543 0.621 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836936 493545994 /nfs/dbraw/zinc/54/59/94/493545994.db2.gz IPYVIZVOSMFXAH-KBPBESRZSA-N 2 1 362.478 0.459 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCN3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000676403970 493549823 /nfs/dbraw/zinc/54/98/23/493549823.db2.gz FLLCCLYICXCYEI-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899144 493550014 /nfs/dbraw/zinc/55/00/14/493550014.db2.gz BXDLGWOZWFSPSQ-HOCLYGCPSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899144 493550018 /nfs/dbraw/zinc/55/00/18/493550018.db2.gz BXDLGWOZWFSPSQ-HOCLYGCPSA-N 2 1 360.506 0.727 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000662953550 493560139 /nfs/dbraw/zinc/56/01/39/493560139.db2.gz KHAKSASESKBNSK-QZTJIDSGSA-N 2 1 358.486 0.569 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000662985141 493564551 /nfs/dbraw/zinc/56/45/51/493564551.db2.gz YCIFXVMTZLAJEN-ZACQAIPSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000662985141 493564552 /nfs/dbraw/zinc/56/45/52/493564552.db2.gz YCIFXVMTZLAJEN-ZACQAIPSSA-N 2 1 368.522 0.532 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000670525804 493576676 /nfs/dbraw/zinc/57/66/76/493576676.db2.gz USRXPHFOGQLJEX-LSDHHAIUSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000670526570 493577044 /nfs/dbraw/zinc/57/70/44/493577044.db2.gz QPYJGTITVZIBEF-ZFWWWQNUSA-N 2 1 350.463 0.845 20 0 FCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000677007261 493581523 /nfs/dbraw/zinc/58/15/23/493581523.db2.gz AMQPPCNRHLJPKY-IBGZPJMESA-N 2 1 363.506 0.420 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363047 493585602 /nfs/dbraw/zinc/58/56/02/493585602.db2.gz GNGXDCORCGIBPD-HOTGVXAUSA-N 2 1 373.453 0.486 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000670671408 493587153 /nfs/dbraw/zinc/58/71/53/493587153.db2.gz CMAQKEFXALKZCB-DLBZAZTESA-N 2 1 368.522 0.448 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000670708631 493589502 /nfs/dbraw/zinc/58/95/02/493589502.db2.gz IGQISCBUSVPKJG-UHFFFAOYSA-N 2 1 367.538 0.075 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000663479686 493591218 /nfs/dbraw/zinc/59/12/18/493591218.db2.gz JTIYGVZADOMUOF-ZWKOTPCHSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663479686 493591220 /nfs/dbraw/zinc/59/12/20/493591220.db2.gz JTIYGVZADOMUOF-ZWKOTPCHSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663479686 493591222 /nfs/dbraw/zinc/59/12/22/493591222.db2.gz JTIYGVZADOMUOF-ZWKOTPCHSA-N 2 1 368.522 0.584 20 0 FCADMP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670787340 493597000 /nfs/dbraw/zinc/59/70/00/493597000.db2.gz GAJYWONGXCKPKL-MRXNPFEDSA-N 2 1 355.442 0.594 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000670805006 493598573 /nfs/dbraw/zinc/59/85/73/493598573.db2.gz PQCAKKZZYJAIEJ-INIZCTEOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670895277 493609900 /nfs/dbraw/zinc/60/99/00/493609900.db2.gz YLISWCBWWJSHMA-WMLDXEAASA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670895277 493609901 /nfs/dbraw/zinc/60/99/01/493609901.db2.gz YLISWCBWWJSHMA-WMLDXEAASA-N 2 1 366.506 0.345 20 0 FCADMP O=C1CCCN1[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738076 493614320 /nfs/dbraw/zinc/61/43/20/493614320.db2.gz BOPJTSRWCKDXRB-KVHJKKSTSA-N 2 1 360.502 0.936 20 0 FCADMP O=C1CCCN1[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738076 493614322 /nfs/dbraw/zinc/61/43/22/493614322.db2.gz BOPJTSRWCKDXRB-KVHJKKSTSA-N 2 1 360.502 0.936 20 0 FCADMP O=C1CCCN1[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000677738076 493614324 /nfs/dbraw/zinc/61/43/24/493614324.db2.gz BOPJTSRWCKDXRB-KVHJKKSTSA-N 2 1 360.502 0.936 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071264 493629114 /nfs/dbraw/zinc/62/91/14/493629114.db2.gz SLJYFOODRRUUFM-CPUCHLNUSA-N 2 1 354.520 0.283 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071267 493629283 /nfs/dbraw/zinc/62/92/83/493629283.db2.gz SLJYFOODRRUUFM-VBQJREDUSA-N 2 1 354.520 0.283 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671103231 493634496 /nfs/dbraw/zinc/63/44/96/493634496.db2.gz ZWCIVXWHOIAZDQ-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000671105620 493634746 /nfs/dbraw/zinc/63/47/46/493634746.db2.gz SMTFOVNYNZWMGF-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181078 493647719 /nfs/dbraw/zinc/64/77/19/493647719.db2.gz BOEHQVNCFYITHH-IAGOWNOFSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671181078 493647722 /nfs/dbraw/zinc/64/77/22/493647722.db2.gz BOEHQVNCFYITHH-IAGOWNOFSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000671390474 493663502 /nfs/dbraw/zinc/66/35/02/493663502.db2.gz RJPJJHRYCQEJIC-RDJZCZTQSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671407593 493667394 /nfs/dbraw/zinc/66/73/94/493667394.db2.gz NFCRVEBFCPULJW-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000671407593 493667395 /nfs/dbraw/zinc/66/73/95/493667395.db2.gz NFCRVEBFCPULJW-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671407593 493667396 /nfs/dbraw/zinc/66/73/96/493667396.db2.gz NFCRVEBFCPULJW-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671407593 493667397 /nfs/dbraw/zinc/66/73/97/493667397.db2.gz NFCRVEBFCPULJW-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873435 493709853 /nfs/dbraw/zinc/70/98/53/493709853.db2.gz FANNSMCSXJZRAE-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873435 493709856 /nfs/dbraw/zinc/70/98/56/493709856.db2.gz FANNSMCSXJZRAE-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880932 493710595 /nfs/dbraw/zinc/71/05/95/493710595.db2.gz YFPKZIKIWZLHMX-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000671880932 493710596 /nfs/dbraw/zinc/71/05/96/493710596.db2.gz YFPKZIKIWZLHMX-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000671880932 493710597 /nfs/dbraw/zinc/71/05/97/493710597.db2.gz YFPKZIKIWZLHMX-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000665461380 493716064 /nfs/dbraw/zinc/71/60/64/493716064.db2.gz MMTLQVGHNUMIGA-GOSISDBHSA-N 2 1 366.506 0.338 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000665461380 493716065 /nfs/dbraw/zinc/71/60/65/493716065.db2.gz MMTLQVGHNUMIGA-GOSISDBHSA-N 2 1 366.506 0.338 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000672008443 493723778 /nfs/dbraw/zinc/72/37/78/493723778.db2.gz SCPLMYJPHSUDAJ-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010238 493724177 /nfs/dbraw/zinc/72/41/77/493724177.db2.gz MPARPUBOLJUKLX-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672014049 493725032 /nfs/dbraw/zinc/72/50/32/493725032.db2.gz POQDHXKLAABIQG-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672204774 493743028 /nfs/dbraw/zinc/74/30/28/493743028.db2.gz NUWLNODCBVJICQ-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000672204774 493743030 /nfs/dbraw/zinc/74/30/30/493743030.db2.gz NUWLNODCBVJICQ-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305725 493751633 /nfs/dbraw/zinc/75/16/33/493751633.db2.gz BEIPGDAEGIJPEU-DOTOQJQBSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309458 493754006 /nfs/dbraw/zinc/75/40/06/493754006.db2.gz NOJRHVKMBJCFGA-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCO1 ZINC000672309458 493754008 /nfs/dbraw/zinc/75/40/08/493754008.db2.gz NOJRHVKMBJCFGA-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCO1 ZINC000672309458 493754010 /nfs/dbraw/zinc/75/40/10/493754010.db2.gz NOJRHVKMBJCFGA-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011216 674338282 /nfs/dbraw/zinc/33/82/82/674338282.db2.gz QGDVTLAJILEDCK-HOTGVXAUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011216 674338284 /nfs/dbraw/zinc/33/82/84/674338284.db2.gz QGDVTLAJILEDCK-HOTGVXAUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011216 674338288 /nfs/dbraw/zinc/33/82/88/674338288.db2.gz QGDVTLAJILEDCK-HOTGVXAUSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H](C)[N@@H+]1C ZINC000410431799 534281673 /nfs/dbraw/zinc/28/16/73/534281673.db2.gz IMVQQYWSUPGEFK-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H](C)[N@H+]1C ZINC000410543366 534283219 /nfs/dbraw/zinc/28/32/19/534283219.db2.gz XIHOOVIIFSHWLV-GASCZTMLSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H](C)[N@@H+]1C ZINC000410543366 534283223 /nfs/dbraw/zinc/28/32/23/534283223.db2.gz XIHOOVIIFSHWLV-GASCZTMLSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H](C)[N@H+]1C ZINC000410431799 534281669 /nfs/dbraw/zinc/28/16/69/534281669.db2.gz IMVQQYWSUPGEFK-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C ZINC000410728070 527744382 /nfs/dbraw/zinc/74/43/82/527744382.db2.gz COPFCBHLZIUHKT-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C ZINC000410728070 527744383 /nfs/dbraw/zinc/74/43/83/527744383.db2.gz COPFCBHLZIUHKT-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000410779957 527802828 /nfs/dbraw/zinc/80/28/28/527802828.db2.gz NSHWABPZYDJZDD-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410779957 527802832 /nfs/dbraw/zinc/80/28/32/527802832.db2.gz NSHWABPZYDJZDD-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410779957 527802835 /nfs/dbraw/zinc/80/28/35/527802835.db2.gz NSHWABPZYDJZDD-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000410736060 527818103 /nfs/dbraw/zinc/81/81/03/527818103.db2.gz LAELQQHPOKOUFC-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000410736060 527818108 /nfs/dbraw/zinc/81/81/08/527818108.db2.gz LAELQQHPOKOUFC-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410699784 527845073 /nfs/dbraw/zinc/84/50/73/527845073.db2.gz QWGBEJFIJKMRDT-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410699784 527845079 /nfs/dbraw/zinc/84/50/79/527845079.db2.gz QWGBEJFIJKMRDT-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410699784 527845088 /nfs/dbraw/zinc/84/50/88/527845088.db2.gz QWGBEJFIJKMRDT-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410699784 527845094 /nfs/dbraw/zinc/84/50/94/527845094.db2.gz QWGBEJFIJKMRDT-QZTJIDSGSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000410694864 527846801 /nfs/dbraw/zinc/84/68/01/527846801.db2.gz DNWRDHDNIDFEFK-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000410694864 527846805 /nfs/dbraw/zinc/84/68/05/527846805.db2.gz DNWRDHDNIDFEFK-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410694864 527846807 /nfs/dbraw/zinc/84/68/07/527846807.db2.gz DNWRDHDNIDFEFK-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410694864 527846812 /nfs/dbraw/zinc/84/68/12/527846812.db2.gz DNWRDHDNIDFEFK-APWZRJJASA-N 2 1 350.507 0.729 20 0 FCADMP CCOC(=O)c1c[nH+]ccc1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413473828 528133423 /nfs/dbraw/zinc/13/34/23/528133423.db2.gz AWCOADPFLYZKAF-UHFFFAOYSA-N 2 1 362.474 0.889 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174321761 528580315 /nfs/dbraw/zinc/58/03/15/528580315.db2.gz WFTWFGIMJIPWFT-GOSISDBHSA-N 2 1 354.539 0.876 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419697108 535071977 /nfs/dbraw/zinc/07/19/77/535071977.db2.gz NUJZRLJMBYUHFS-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419153718 535081738 /nfs/dbraw/zinc/08/17/38/535081738.db2.gz PGAVKNGOWKPWHR-QGZVFWFLSA-N 2 1 350.507 0.897 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419385493 535085173 /nfs/dbraw/zinc/08/51/73/535085173.db2.gz CKCNUCZOXDGVGB-KRWDZBQOSA-N 2 1 358.486 0.793 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419123104 535102233 /nfs/dbraw/zinc/10/22/33/535102233.db2.gz VDIWOKFKMZEZJT-HZPDHXFCSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423742709 535181300 /nfs/dbraw/zinc/18/13/00/535181300.db2.gz ZDAFPUYOFMLLGI-DLBZAZTESA-N 2 1 362.449 0.631 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[NH2+]C1 ZINC000423662057 535187295 /nfs/dbraw/zinc/18/72/95/535187295.db2.gz MKYNGVBXHUGICD-INIZCTEOSA-N 2 1 359.474 0.639 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[N@@H+]1CCOC ZINC000423650495 535425126 /nfs/dbraw/zinc/42/51/26/535425126.db2.gz KXFYLQOUZGJZJQ-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[N@H+]1CCOC ZINC000423650495 535425129 /nfs/dbraw/zinc/42/51/29/535425129.db2.gz KXFYLQOUZGJZJQ-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1CCOC ZINC000419812240 535426441 /nfs/dbraw/zinc/42/64/41/535426441.db2.gz YZHYEOJHWGYYEK-MRXNPFEDSA-N 2 1 368.522 0.724 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1CCOC ZINC000419812240 535426447 /nfs/dbraw/zinc/42/64/47/535426447.db2.gz YZHYEOJHWGYYEK-MRXNPFEDSA-N 2 1 368.522 0.724 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419514572 535509279 /nfs/dbraw/zinc/50/92/79/535509279.db2.gz OYERNTXDFHYQEB-HIFRSBDPSA-N 2 1 350.463 0.955 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccsc1 ZINC000419379025 535669871 /nfs/dbraw/zinc/66/98/71/535669871.db2.gz WAECIMKCVDDJIK-GFCCVEGCSA-N 2 1 362.446 0.957 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415989862 535670613 /nfs/dbraw/zinc/67/06/13/535670613.db2.gz BPRVCEIWISQGLG-GFCCVEGCSA-N 2 1 353.433 0.981 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375853 535716183 /nfs/dbraw/zinc/71/61/83/535716183.db2.gz FDPOTWDFRUNNOV-PDOICOKGSA-N 2 1 366.550 0.909 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000423529320 535733302 /nfs/dbraw/zinc/73/33/02/535733302.db2.gz PPOSVSCPUNAOHS-IRXDYDNUSA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000423529320 535733307 /nfs/dbraw/zinc/73/33/07/535733307.db2.gz PPOSVSCPUNAOHS-IRXDYDNUSA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423529607 535734003 /nfs/dbraw/zinc/73/40/03/535734003.db2.gz QAMQUVOSHOUPSH-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC[N@H+]1CCOC ZINC000423529607 535734006 /nfs/dbraw/zinc/73/40/06/535734006.db2.gz QAMQUVOSHOUPSH-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CN(C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000419200426 535945858 /nfs/dbraw/zinc/94/58/58/535945858.db2.gz FGWZTQLZHVJGKV-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419412788 536099941 /nfs/dbraw/zinc/09/99/41/536099941.db2.gz RJBSAIXIPBWSSN-QZTJIDSGSA-N 2 1 358.486 0.889 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000418288489 536363564 /nfs/dbraw/zinc/36/35/64/536363564.db2.gz IGWXEIREEAJYSX-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCCCC[NH3+] ZINC000419829254 536372541 /nfs/dbraw/zinc/37/25/41/536372541.db2.gz IFPFKYCLFCVAEE-UHFFFAOYSA-N 2 1 361.490 0.122 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423383005 536372663 /nfs/dbraw/zinc/37/26/63/536372663.db2.gz KDLKQSFILUAWQV-QGZVFWFLSA-N 2 1 373.501 0.217 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419771517 536481837 /nfs/dbraw/zinc/48/18/37/536481837.db2.gz XSOHOMBHNVKKCX-MSOLQXFVSA-N 2 1 358.486 0.867 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419449749 536495799 /nfs/dbraw/zinc/49/57/99/536495799.db2.gz KIYYAUULIYASDV-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592428465 546648261 /nfs/dbraw/zinc/64/82/61/546648261.db2.gz PZRRLPDJLKQTHX-UHFFFAOYSA-N 2 1 351.495 0.789 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@@H](C)C1 ZINC000539285074 547025772 /nfs/dbraw/zinc/02/57/72/547025772.db2.gz IXFYHLSYBUQRCK-IJEWVQPXSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@@H](C)C1 ZINC000539285074 547025776 /nfs/dbraw/zinc/02/57/76/547025776.db2.gz IXFYHLSYBUQRCK-IJEWVQPXSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[C@@H](C)C1 ZINC000539285074 547025778 /nfs/dbraw/zinc/02/57/78/547025778.db2.gz IXFYHLSYBUQRCK-IJEWVQPXSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[C@@H](C)C1 ZINC000539285074 547025783 /nfs/dbraw/zinc/02/57/83/547025783.db2.gz IXFYHLSYBUQRCK-IJEWVQPXSA-N 2 1 352.479 0.748 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000550133420 547078922 /nfs/dbraw/zinc/07/89/22/547078922.db2.gz OCRDWAHYQMEWGX-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551213174 547134005 /nfs/dbraw/zinc/13/40/05/547134005.db2.gz IYERLSGOPCJCOM-IIDMSEBBSA-N 2 1 370.563 0.777 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216693 547135708 /nfs/dbraw/zinc/13/57/08/547135708.db2.gz ABTLKDJSVHEUOO-KSSFIOAISA-N 2 1 368.547 0.673 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000551623985 547156446 /nfs/dbraw/zinc/15/64/46/547156446.db2.gz VRSNLNHDONHNNK-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000552750084 547230966 /nfs/dbraw/zinc/23/09/66/547230966.db2.gz FQDWXQVJBHIYKF-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000552750084 547230971 /nfs/dbraw/zinc/23/09/71/547230971.db2.gz FQDWXQVJBHIYKF-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734449 547303821 /nfs/dbraw/zinc/30/38/21/547303821.db2.gz ZHRRKPNZFCOPCD-LSDHHAIUSA-N 2 1 356.511 0.306 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000474346095 547332598 /nfs/dbraw/zinc/33/25/98/547332598.db2.gz PIEUZHGJURIPQF-UHFFFAOYSA-N 2 1 351.495 0.490 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000736766902 598332679 /nfs/dbraw/zinc/33/26/79/598332679.db2.gz INSKFYSPGSYHDH-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000953976957 674487441 /nfs/dbraw/zinc/48/74/41/674487441.db2.gz DYVJPARMACMWLA-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000953976957 674487443 /nfs/dbraw/zinc/48/74/43/674487443.db2.gz DYVJPARMACMWLA-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000953976957 674487444 /nfs/dbraw/zinc/48/74/44/674487444.db2.gz DYVJPARMACMWLA-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954273694 674493516 /nfs/dbraw/zinc/49/35/16/674493516.db2.gz FGJKYZUPLWGNLQ-DJIMGWMZSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954273694 674493518 /nfs/dbraw/zinc/49/35/18/674493518.db2.gz FGJKYZUPLWGNLQ-DJIMGWMZSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954273694 674493519 /nfs/dbraw/zinc/49/35/19/674493519.db2.gz FGJKYZUPLWGNLQ-DJIMGWMZSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000954412132 674496767 /nfs/dbraw/zinc/49/67/67/674496767.db2.gz CDAYAGRATGXOEO-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000954415810 674497093 /nfs/dbraw/zinc/49/70/93/674497093.db2.gz FJAPCQQCNCBBBC-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000954415810 674497095 /nfs/dbraw/zinc/49/70/95/674497095.db2.gz FJAPCQQCNCBBBC-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000954415810 674497097 /nfs/dbraw/zinc/49/70/97/674497097.db2.gz FJAPCQQCNCBBBC-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954502831 674498465 /nfs/dbraw/zinc/49/84/65/674498465.db2.gz SHUBJONEHUTCJH-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954502831 674498466 /nfs/dbraw/zinc/49/84/66/674498466.db2.gz SHUBJONEHUTCJH-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954502831 674498467 /nfs/dbraw/zinc/49/84/67/674498467.db2.gz SHUBJONEHUTCJH-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000957592518 674546803 /nfs/dbraw/zinc/54/68/03/674546803.db2.gz JBXFATXNNVPDKC-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000989180651 665715237 /nfs/dbraw/zinc/71/52/37/665715237.db2.gz PXLXTQBFVRLKSQ-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000989180651 665715242 /nfs/dbraw/zinc/71/52/42/665715242.db2.gz PXLXTQBFVRLKSQ-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000989180651 665715245 /nfs/dbraw/zinc/71/52/45/665715245.db2.gz PXLXTQBFVRLKSQ-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000990004618 665837552 /nfs/dbraw/zinc/83/75/52/665837552.db2.gz GPSDLMHBDZGJEX-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000990004618 665837553 /nfs/dbraw/zinc/83/75/53/665837553.db2.gz GPSDLMHBDZGJEX-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000990004618 665837554 /nfs/dbraw/zinc/83/75/54/665837554.db2.gz GPSDLMHBDZGJEX-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725715751 663351614 /nfs/dbraw/zinc/35/16/14/663351614.db2.gz YRXMWOIXDYJFSA-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@H+]1C ZINC001022101963 663404408 /nfs/dbraw/zinc/40/44/08/663404408.db2.gz AOQNOPXZYGSMFN-IBEHDNSVSA-N 2 1 350.507 0.963 20 0 FCADMP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001022105238 663404898 /nfs/dbraw/zinc/40/48/98/663404898.db2.gz VUALUKQCFRJLFR-XGFWRYKXSA-N 2 1 351.451 0.854 20 0 FCADMP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001022105238 663404900 /nfs/dbraw/zinc/40/49/00/663404900.db2.gz VUALUKQCFRJLFR-XGFWRYKXSA-N 2 1 351.451 0.854 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)N1CCCCC1 ZINC001022103074 663405188 /nfs/dbraw/zinc/40/51/88/663405188.db2.gz DSDAVPWECCQSSA-DMRKSPOLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526611 663412038 /nfs/dbraw/zinc/41/20/38/663412038.db2.gz COATYSNNDQFSJL-CVEARBPZSA-N 2 1 353.511 0.080 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891538464 663412972 /nfs/dbraw/zinc/41/29/72/663412972.db2.gz ZTSQALYXAIPPDV-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891579967 663416906 /nfs/dbraw/zinc/41/69/06/663416906.db2.gz QIPVBOLLZGCQTM-UONOGXRCSA-N 2 1 365.444 0.793 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000891879232 663445744 /nfs/dbraw/zinc/44/57/44/663445744.db2.gz NQSWSEGYBLZJOR-UHFFFAOYSA-N 2 1 351.495 0.467 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891906978 663448260 /nfs/dbraw/zinc/44/82/60/663448260.db2.gz WJWJLYVVBOKFPM-XQLPTFJDSA-N 2 1 353.467 0.292 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892038275 663469430 /nfs/dbraw/zinc/46/94/30/663469430.db2.gz CCSXDHAHTSBZGR-MRXNPFEDSA-N 2 1 355.527 0.600 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000892081828 663473932 /nfs/dbraw/zinc/47/39/32/663473932.db2.gz FJJFXCKVLGTNKL-DLBZAZTESA-N 2 1 353.511 0.224 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892080515 663474021 /nfs/dbraw/zinc/47/40/21/663474021.db2.gz ZDUHKPPYNSOWOK-IKGGRYGDSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892092036 663475291 /nfs/dbraw/zinc/47/52/91/663475291.db2.gz OEHDSNIETWKDLM-IXDOHACOSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000892097359 663475774 /nfs/dbraw/zinc/47/57/74/663475774.db2.gz NHHKEEWWONNZPZ-IXDOHACOSA-N 2 1 353.511 0.223 20 0 FCADMP C[N@H+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000892108993 663477437 /nfs/dbraw/zinc/47/74/37/663477437.db2.gz XWHGKWFPMBNIPQ-LBPRGKRZSA-N 2 1 351.417 0.558 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000899969383 665969544 /nfs/dbraw/zinc/96/95/44/665969544.db2.gz MAKULZRGMNDCML-SFHVURJKSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001023377920 663620276 /nfs/dbraw/zinc/62/02/76/663620276.db2.gz XUIOAYZFNFLHMR-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001023377920 663620278 /nfs/dbraw/zinc/62/02/78/663620278.db2.gz XUIOAYZFNFLHMR-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001023377920 663620279 /nfs/dbraw/zinc/62/02/79/663620279.db2.gz XUIOAYZFNFLHMR-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP FC(F)(F)[C@@H](CNCc1ccc(N2CC[NH2+]CC2)o1)N1CC[NH2+]CC1 ZINC000904355243 665987563 /nfs/dbraw/zinc/98/75/63/665987563.db2.gz LUPAWELCZBJQFB-CQSZACIVSA-N 2 1 361.412 0.615 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973332115 664099859 /nfs/dbraw/zinc/09/98/59/664099859.db2.gz HHPFZKCFXJUPGY-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)C[C@]2(C)C1 ZINC000892930356 664155734 /nfs/dbraw/zinc/15/57/34/664155734.db2.gz UKMIHGKXXVLYOK-PBHICJAKSA-N 2 1 372.535 0.089 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000892938904 664164712 /nfs/dbraw/zinc/16/47/12/664164712.db2.gz SNCYUOSDPYRSGF-UHFFFAOYSA-N 2 1 355.527 0.768 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053348 664202065 /nfs/dbraw/zinc/20/20/65/664202065.db2.gz MJHHSDPIMHQWGX-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893053348 664202067 /nfs/dbraw/zinc/20/20/67/664202067.db2.gz MJHHSDPIMHQWGX-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893053348 664202069 /nfs/dbraw/zinc/20/20/69/664202069.db2.gz MJHHSDPIMHQWGX-DLBZAZTESA-N 2 1 353.511 0.034 20 0 FCADMP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893053680 664202115 /nfs/dbraw/zinc/20/21/15/664202115.db2.gz PSEYFJYWCGFEHY-KRWDZBQOSA-N 2 1 355.527 0.470 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893053354 664202129 /nfs/dbraw/zinc/20/21/29/664202129.db2.gz MJHHSDPIMHQWGX-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893053354 664202130 /nfs/dbraw/zinc/20/21/30/664202130.db2.gz MJHHSDPIMHQWGX-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893053354 664202131 /nfs/dbraw/zinc/20/21/31/664202131.db2.gz MJHHSDPIMHQWGX-SJORKVTESA-N 2 1 353.511 0.034 20 0 FCADMP COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nn1C ZINC000889081082 664203501 /nfs/dbraw/zinc/20/35/01/664203501.db2.gz VURZWIDFHJPNIV-LBPRGKRZSA-N 2 1 354.455 0.600 20 0 FCADMP COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000889081082 664203502 /nfs/dbraw/zinc/20/35/02/664203502.db2.gz VURZWIDFHJPNIV-LBPRGKRZSA-N 2 1 354.455 0.600 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000893237179 664218069 /nfs/dbraw/zinc/21/80/69/664218069.db2.gz FORCHFFBSGGWRW-ZIFCJYIRSA-N 2 1 351.539 0.853 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000893237179 664218072 /nfs/dbraw/zinc/21/80/72/664218072.db2.gz FORCHFFBSGGWRW-ZIFCJYIRSA-N 2 1 351.539 0.853 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000893237179 664218074 /nfs/dbraw/zinc/21/80/74/664218074.db2.gz FORCHFFBSGGWRW-ZIFCJYIRSA-N 2 1 351.539 0.853 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974125204 664223763 /nfs/dbraw/zinc/22/37/63/664223763.db2.gz CPLWEYHJMTZEPW-UUAJXVIYSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001026514579 664239495 /nfs/dbraw/zinc/23/94/95/664239495.db2.gz JSSAAZRQAVVYJS-UWLZSVRSSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(=O)N3CCCC3)CC2(C)C)CC[N@@H+]1C ZINC000974587733 664266215 /nfs/dbraw/zinc/26/62/15/664266215.db2.gz KXWKDDIEOLFIPP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(=O)N3CCCC3)CC2(C)C)CC[N@H+]1C ZINC000974587733 664266219 /nfs/dbraw/zinc/26/62/19/664266219.db2.gz KXWKDDIEOLFIPP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CC(=O)N3CCCC3)CC2(C)C)CC[NH+]1C ZINC000974587733 664266220 /nfs/dbraw/zinc/26/62/20/664266220.db2.gz KXWKDDIEOLFIPP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCCC3)CC2(C)C)CC[NH+]1C ZINC000974587733 664266221 /nfs/dbraw/zinc/26/62/21/664266221.db2.gz KXWKDDIEOLFIPP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP COc1nscc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026915231 664277165 /nfs/dbraw/zinc/27/71/65/664277165.db2.gz MLJSFSFWWOFDDN-UMVBOHGHSA-N 2 1 368.503 0.809 20 0 FCADMP COc1nscc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026915231 664277166 /nfs/dbraw/zinc/27/71/66/664277166.db2.gz MLJSFSFWWOFDDN-UMVBOHGHSA-N 2 1 368.503 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001027416435 664396825 /nfs/dbraw/zinc/39/68/25/664396825.db2.gz GBCJHJOOBYUNEW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001027416435 664396827 /nfs/dbraw/zinc/39/68/27/664396827.db2.gz GBCJHJOOBYUNEW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001027416435 664396830 /nfs/dbraw/zinc/39/68/30/664396830.db2.gz GBCJHJOOBYUNEW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001027416435 664396833 /nfs/dbraw/zinc/39/68/33/664396833.db2.gz GBCJHJOOBYUNEW-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027417489 664399275 /nfs/dbraw/zinc/39/92/75/664399275.db2.gz ZUNZMMFKTMHWKU-BZUAXINKSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027417489 664399278 /nfs/dbraw/zinc/39/92/78/664399278.db2.gz ZUNZMMFKTMHWKU-BZUAXINKSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027417489 664399280 /nfs/dbraw/zinc/39/92/80/664399280.db2.gz ZUNZMMFKTMHWKU-BZUAXINKSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000977813546 664424302 /nfs/dbraw/zinc/42/43/02/664424302.db2.gz FBZOCJWQLWGZRN-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC000981194757 664817314 /nfs/dbraw/zinc/81/73/14/664817314.db2.gz VWYQJYPXAACLHX-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC000981194757 664817316 /nfs/dbraw/zinc/81/73/16/664817316.db2.gz VWYQJYPXAACLHX-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC000981194757 664817317 /nfs/dbraw/zinc/81/73/17/664817317.db2.gz VWYQJYPXAACLHX-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981686517 664835989 /nfs/dbraw/zinc/83/59/89/664835989.db2.gz NGCQEUSZVFNKOL-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894163739 664902061 /nfs/dbraw/zinc/90/20/61/664902061.db2.gz GQGNDYMXDOYLGB-SJORKVTESA-N 2 1 356.511 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001028552959 664902312 /nfs/dbraw/zinc/90/23/12/664902312.db2.gz WTBCJUSYPSMOKS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001028552959 664902313 /nfs/dbraw/zinc/90/23/13/664902313.db2.gz WTBCJUSYPSMOKS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001028552959 664902315 /nfs/dbraw/zinc/90/23/15/664902315.db2.gz WTBCJUSYPSMOKS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001029313832 665014016 /nfs/dbraw/zinc/01/40/16/665014016.db2.gz OJIGLHIWQMUDIG-OVYGPGRDSA-N 2 1 369.531 0.437 20 0 FCADMP CCn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000984016195 665014115 /nfs/dbraw/zinc/01/41/15/665014115.db2.gz SFUBCXCQIDJHFN-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP CCn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000984016195 665014117 /nfs/dbraw/zinc/01/41/17/665014117.db2.gz SFUBCXCQIDJHFN-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727084474 665024351 /nfs/dbraw/zinc/02/43/51/665024351.db2.gz DTLWNSSRYGBZIP-OAHLLOKOSA-N 2 1 371.595 0.981 20 0 FCADMP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000895205359 665029250 /nfs/dbraw/zinc/02/92/50/665029250.db2.gz AAEJEECMFDRMIK-OAHLLOKOSA-N 2 1 355.479 0.811 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984692298 665090497 /nfs/dbraw/zinc/09/04/97/665090497.db2.gz ORMUGSQSEKYSRN-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896540961 665092479 /nfs/dbraw/zinc/09/24/79/665092479.db2.gz HDRRZFQFTPRXQD-BHYGNILZSA-N 2 1 354.564 0.954 20 0 FCADMP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896540970 665092618 /nfs/dbraw/zinc/09/26/18/665092618.db2.gz HDRRZFQFTPRXQD-XIRDDKMYSA-N 2 1 354.564 0.954 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000984900143 665114639 /nfs/dbraw/zinc/11/46/39/665114639.db2.gz XBLGLFZRONWIJM-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000984900143 665114642 /nfs/dbraw/zinc/11/46/42/665114642.db2.gz XBLGLFZRONWIJM-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000984900143 665114644 /nfs/dbraw/zinc/11/46/44/665114644.db2.gz XBLGLFZRONWIJM-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000988010158 665271954 /nfs/dbraw/zinc/27/19/54/665271954.db2.gz HFMNNLWLENKERM-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988099734 665275508 /nfs/dbraw/zinc/27/55/08/665275508.db2.gz WUDVIMNZWCGDAZ-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000988103966 665276301 /nfs/dbraw/zinc/27/63/01/665276301.db2.gz FSRXCTHOVQMJGU-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000988106469 665276625 /nfs/dbraw/zinc/27/66/25/665276625.db2.gz FBNYVOIZKYMGNM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000897441294 665288321 /nfs/dbraw/zinc/28/83/21/665288321.db2.gz BTERQSSTAPMCEO-SQNIBIBYSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000897443586 665288566 /nfs/dbraw/zinc/28/85/66/665288566.db2.gz XSIPOLXEGWSASG-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000897443586 665288567 /nfs/dbraw/zinc/28/85/67/665288567.db2.gz XSIPOLXEGWSASG-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000897443586 665288569 /nfs/dbraw/zinc/28/85/69/665288569.db2.gz XSIPOLXEGWSASG-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000897480388 665292291 /nfs/dbraw/zinc/29/22/91/665292291.db2.gz YQXNDYVOBCKARN-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000938040636 665313443 /nfs/dbraw/zinc/31/34/43/665313443.db2.gz SSFVTODCOVKLEH-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988838580 665319984 /nfs/dbraw/zinc/31/99/84/665319984.db2.gz LIFCCQJFFOEONK-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP COc1cc(OC)nc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000906678177 666062157 /nfs/dbraw/zinc/06/21/57/666062157.db2.gz RMUWUVOLGZOAFG-UHFFFAOYSA-N 2 1 351.451 0.592 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000907589663 666145641 /nfs/dbraw/zinc/14/56/41/666145641.db2.gz UXRRSDWMJKWJKG-KRWDZBQOSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1 ZINC000908120377 666186945 /nfs/dbraw/zinc/18/69/45/666186945.db2.gz UKRQVTFQWORZAZ-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908204022 666194482 /nfs/dbraw/zinc/19/44/82/666194482.db2.gz UDOWBSXPVYABTG-HIEASXQVSA-N 2 1 351.491 0.545 20 0 FCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000910679894 666263777 /nfs/dbraw/zinc/26/37/77/666263777.db2.gz QYKPYAMOLGQTHS-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000910679894 666263780 /nfs/dbraw/zinc/26/37/80/666263780.db2.gz QYKPYAMOLGQTHS-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000910679894 666263784 /nfs/dbraw/zinc/26/37/84/666263784.db2.gz QYKPYAMOLGQTHS-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000910679894 666263787 /nfs/dbraw/zinc/26/37/87/666263787.db2.gz QYKPYAMOLGQTHS-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000910892648 666289452 /nfs/dbraw/zinc/28/94/52/666289452.db2.gz KZZMGVHSSMCKPO-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000910892648 666289455 /nfs/dbraw/zinc/28/94/55/666289455.db2.gz KZZMGVHSSMCKPO-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000910894311 666289757 /nfs/dbraw/zinc/28/97/57/666289757.db2.gz ZHFDRGBZCHRXHT-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000910894311 666289760 /nfs/dbraw/zinc/28/97/60/666289760.db2.gz ZHFDRGBZCHRXHT-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000910894311 666289762 /nfs/dbraw/zinc/28/97/62/666289762.db2.gz ZHFDRGBZCHRXHT-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000910894311 666289765 /nfs/dbraw/zinc/28/97/65/666289765.db2.gz ZHFDRGBZCHRXHT-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000911113689 666315636 /nfs/dbraw/zinc/31/56/36/666315636.db2.gz RXZWXTLGALYHSL-KBPBESRZSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000911113689 666315639 /nfs/dbraw/zinc/31/56/39/666315639.db2.gz RXZWXTLGALYHSL-KBPBESRZSA-N 2 1 364.515 0.808 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@H]1c1cccs1 ZINC000911201462 666323010 /nfs/dbraw/zinc/32/30/10/666323010.db2.gz RJSMRVANMHYYQO-OCCSQVGLSA-N 2 1 350.488 0.855 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC2)[C@H]1c1cccs1 ZINC000911201459 666323049 /nfs/dbraw/zinc/32/30/49/666323049.db2.gz RJSMRVANMHYYQO-JSGCOSHPSA-N 2 1 350.488 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000991854475 666592562 /nfs/dbraw/zinc/59/25/62/666592562.db2.gz VXZUAXKPGQBXIB-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+]1CCCC1 ZINC000992308572 666632946 /nfs/dbraw/zinc/63/29/46/666632946.db2.gz DGTDRPOQQPMYBV-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CCO)C3)CC2)O1 ZINC000961379442 674759897 /nfs/dbraw/zinc/75/98/97/674759897.db2.gz STGGVRCNZGLJPP-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CCO)C3)CC2)O1 ZINC000961379442 674759899 /nfs/dbraw/zinc/75/98/99/674759899.db2.gz STGGVRCNZGLJPP-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+](CCO)C3)CC2)O1 ZINC000961379442 674759901 /nfs/dbraw/zinc/75/99/01/674759901.db2.gz STGGVRCNZGLJPP-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](CCO)C3)CC2)O1 ZINC000961379442 674759903 /nfs/dbraw/zinc/75/99/03/674759903.db2.gz STGGVRCNZGLJPP-KBAYOESNSA-N 2 1 353.507 0.648 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287388 666905359 /nfs/dbraw/zinc/90/53/59/666905359.db2.gz ZOCKHBWULAXGIC-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996606468 666943329 /nfs/dbraw/zinc/94/33/29/666943329.db2.gz IWAZIMCTBDNVPJ-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC000996608520 666944631 /nfs/dbraw/zinc/94/46/31/666944631.db2.gz SREMQEUNDHSQOF-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000993928392 666947796 /nfs/dbraw/zinc/94/77/96/666947796.db2.gz FPMCLDLKBWWKRC-HLLBOEOZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000993928392 666947797 /nfs/dbraw/zinc/94/77/97/666947797.db2.gz FPMCLDLKBWWKRC-HLLBOEOZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000993928392 666947799 /nfs/dbraw/zinc/94/77/99/666947799.db2.gz FPMCLDLKBWWKRC-HLLBOEOZSA-N 2 1 350.507 0.632 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000734274700 666958669 /nfs/dbraw/zinc/95/86/69/666958669.db2.gz LIYDVCQENMZMIR-WBVHZDCISA-N 2 1 354.495 0.602 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734269297 666959869 /nfs/dbraw/zinc/95/98/69/666959869.db2.gz CKALOQHYGCVWLI-QGZVFWFLSA-N 2 1 356.511 0.897 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734282969 666960875 /nfs/dbraw/zinc/96/08/75/666960875.db2.gz HBDFXZOBHADHDD-QGZVFWFLSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217643 666979387 /nfs/dbraw/zinc/97/93/87/666979387.db2.gz QBYJEKJEJPLPJI-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000997101998 667088411 /nfs/dbraw/zinc/08/84/11/667088411.db2.gz UIZPWMKIZNRFAX-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)O1 ZINC000997858594 667177839 /nfs/dbraw/zinc/17/78/39/667177839.db2.gz HQWBWPMLKZGOGY-IUODEOHRSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)O1 ZINC000997858594 667177840 /nfs/dbraw/zinc/17/78/40/667177840.db2.gz HQWBWPMLKZGOGY-IUODEOHRSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000998798144 667221631 /nfs/dbraw/zinc/22/16/31/667221631.db2.gz ZBNOZGVFBGGYFH-RDHHWEPZSA-N 2 1 350.507 0.918 20 0 FCADMP COCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998797417 667221709 /nfs/dbraw/zinc/22/17/09/667221709.db2.gz SZNNBLIPKMXNJV-BLYZHGLHSA-N 2 1 351.451 0.635 20 0 FCADMP COCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998797417 667221713 /nfs/dbraw/zinc/22/17/13/667221713.db2.gz SZNNBLIPKMXNJV-BLYZHGLHSA-N 2 1 351.451 0.635 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499181 667241049 /nfs/dbraw/zinc/24/10/49/667241049.db2.gz ZUIHQDYUIGTEKY-IIAWOOMASA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499181 667241052 /nfs/dbraw/zinc/24/10/52/667241052.db2.gz ZUIHQDYUIGTEKY-IIAWOOMASA-N 2 1 350.467 0.098 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031680995 667262790 /nfs/dbraw/zinc/26/27/90/667262790.db2.gz BITXEMGRIHMGRG-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031680995 667262793 /nfs/dbraw/zinc/26/27/93/667262793.db2.gz BITXEMGRIHMGRG-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001002249388 667527328 /nfs/dbraw/zinc/52/73/28/667527328.db2.gz ZFFTYOQYVYVOSA-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001002249388 667527331 /nfs/dbraw/zinc/52/73/31/667527331.db2.gz ZFFTYOQYVYVOSA-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001002249388 667527334 /nfs/dbraw/zinc/52/73/34/667527334.db2.gz ZFFTYOQYVYVOSA-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002853336 667571464 /nfs/dbraw/zinc/57/14/64/667571464.db2.gz YGIXNGILQYTAIA-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002853336 667571468 /nfs/dbraw/zinc/57/14/68/667571468.db2.gz YGIXNGILQYTAIA-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000961849449 674831338 /nfs/dbraw/zinc/83/13/38/674831338.db2.gz MFYGOJMGFAGCBV-LHUBUQBQSA-N 2 1 371.547 0.636 20 0 FCADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2)[NH+](C)C ZINC001004952595 667719315 /nfs/dbraw/zinc/71/93/15/667719315.db2.gz LZTMZPKDBLIVEZ-UUAJXVIYSA-N 2 1 350.507 0.915 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001005414766 667740599 /nfs/dbraw/zinc/74/05/99/667740599.db2.gz HPJNWQZZRAYRRB-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001034217809 667749620 /nfs/dbraw/zinc/74/96/20/667749620.db2.gz VINUYZMUATURFZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001034217809 667749624 /nfs/dbraw/zinc/74/96/24/667749624.db2.gz VINUYZMUATURFZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001034217809 667749629 /nfs/dbraw/zinc/74/96/29/667749629.db2.gz VINUYZMUATURFZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+][C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001034567976 667761253 /nfs/dbraw/zinc/76/12/53/667761253.db2.gz CEMYLITXEXIOTC-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@@H](C)C(N)=O)C3)CC2)CC[N@H+]1C ZINC001035188295 667775550 /nfs/dbraw/zinc/77/55/50/667775550.db2.gz YRWVKUTWVYVGOQ-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@@H+]([C@@H](C)C(N)=O)C3)CC2)CC[NH+]1C ZINC001035188295 667775553 /nfs/dbraw/zinc/77/55/53/667775553.db2.gz YRWVKUTWVYVGOQ-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@H+]([C@@H](C)C(N)=O)C3)CC2)CC[NH+]1C ZINC001035188295 667775556 /nfs/dbraw/zinc/77/55/56/667775556.db2.gz YRWVKUTWVYVGOQ-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006179191 667856236 /nfs/dbraw/zinc/85/62/36/667856236.db2.gz CIWMEMHDUMOAKW-JJRVBVJISA-N 2 1 350.507 0.632 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000739020053 667935279 /nfs/dbraw/zinc/93/52/79/667935279.db2.gz CFADZUQVDTXQIJ-DLBZAZTESA-N 2 1 354.495 0.650 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743392972 668047484 /nfs/dbraw/zinc/04/74/84/668047484.db2.gz FMTOHYFLWVCZHQ-HNNXBMFYSA-N 2 1 351.495 0.624 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000774788118 668173828 /nfs/dbraw/zinc/17/38/28/668173828.db2.gz HNZBUJYCGXXKEE-JKSUJKDBSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000774788111 668173874 /nfs/dbraw/zinc/17/38/74/668173874.db2.gz HNZBUJYCGXXKEE-HOTGVXAUSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=S)NCCCN1CCOCC1 ZINC000782405081 668560046 /nfs/dbraw/zinc/56/00/46/668560046.db2.gz JSAZKUQLBHNZQC-INIZCTEOSA-N 2 1 370.563 0.768 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCCCC1 ZINC000793728587 668946188 /nfs/dbraw/zinc/94/61/88/668946188.db2.gz VQZWLAIWJBTYDM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCCCC1 ZINC000793728594 668946207 /nfs/dbraw/zinc/94/62/07/668946207.db2.gz VQZWLAIWJBTYDM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=S)NCCC[NH+](C)C)C2 ZINC000795141713 669015406 /nfs/dbraw/zinc/01/54/06/669015406.db2.gz HWTOGRJPPSZZOF-GOOCMWNKSA-N 2 1 355.552 0.486 20 0 FCADMP C[NH+](C)CCCC1CC[NH+](CN2CC3(CCOCC3)[C@H](O)C2=O)CC1 ZINC000840039593 669374942 /nfs/dbraw/zinc/37/49/42/669374942.db2.gz WJSFZETZKUJURY-QGZVFWFLSA-N 2 1 353.507 0.998 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000824594397 669401580 /nfs/dbraw/zinc/40/15/80/669401580.db2.gz BPWZXLVBSDUIGA-HOTGVXAUSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000824594397 669401583 /nfs/dbraw/zinc/40/15/83/669401583.db2.gz BPWZXLVBSDUIGA-HOTGVXAUSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000824594397 669401584 /nfs/dbraw/zinc/40/15/84/669401584.db2.gz BPWZXLVBSDUIGA-HOTGVXAUSA-N 2 1 354.495 0.851 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ncc(C[NH+](C)C)s1 ZINC000809659867 669635309 /nfs/dbraw/zinc/63/53/09/669635309.db2.gz HATDZAJHKSJDKV-UHFFFAOYSA-N 2 1 369.535 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483897 669703138 /nfs/dbraw/zinc/70/31/38/669703138.db2.gz FHIKXIGRCRQVHD-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000829483897 669703141 /nfs/dbraw/zinc/70/31/41/669703141.db2.gz FHIKXIGRCRQVHD-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000829483897 669703144 /nfs/dbraw/zinc/70/31/44/669703144.db2.gz FHIKXIGRCRQVHD-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)CC[NH+]1CCOCC1 ZINC000811532685 669757534 /nfs/dbraw/zinc/75/75/34/669757534.db2.gz HMDOPCRQKVQNFC-UHFFFAOYSA-N 2 1 350.463 0.751 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000830509974 669788982 /nfs/dbraw/zinc/78/89/82/669788982.db2.gz DXWDJBRUPWFWGN-INIZCTEOSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834628806 669967602 /nfs/dbraw/zinc/96/76/02/669967602.db2.gz HCBZRVRRCRTVEO-HRCADAONSA-N 2 1 356.511 0.401 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834628806 669967604 /nfs/dbraw/zinc/96/76/04/669967604.db2.gz HCBZRVRRCRTVEO-HRCADAONSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698765 669970600 /nfs/dbraw/zinc/97/06/00/669970600.db2.gz NQXBCERHNJREKD-HRCADAONSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698765 669970603 /nfs/dbraw/zinc/97/06/03/669970603.db2.gz NQXBCERHNJREKD-HRCADAONSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834698765 669970605 /nfs/dbraw/zinc/97/06/05/669970605.db2.gz NQXBCERHNJREKD-HRCADAONSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834698765 669970607 /nfs/dbraw/zinc/97/06/07/669970607.db2.gz NQXBCERHNJREKD-HRCADAONSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841256436 670544096 /nfs/dbraw/zinc/54/40/96/670544096.db2.gz IWFCCUQOHJBHBR-LBPRGKRZSA-N 2 1 367.881 0.884 20 0 FCADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476651 670693079 /nfs/dbraw/zinc/69/30/79/670693079.db2.gz DIKWTJWZAYYBHU-HZPDHXFCSA-N 2 1 352.479 0.940 20 0 FCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378857 670810299 /nfs/dbraw/zinc/81/02/99/670810299.db2.gz JXYWCXMYIXXHNZ-INIZCTEOSA-N 2 1 351.451 0.333 20 0 FCADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000843400524 670813122 /nfs/dbraw/zinc/81/31/22/670813122.db2.gz GPKRZTPJZVRNRR-CQSZACIVSA-N 2 1 367.412 0.868 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000846346474 671103701 /nfs/dbraw/zinc/10/37/01/671103701.db2.gz GQZIGWMHKRPCKL-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051622 671316231 /nfs/dbraw/zinc/31/62/31/671316231.db2.gz RGNHFDLYNHFVSX-CYBMUJFWSA-N 2 1 367.416 0.086 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000849052374 671316417 /nfs/dbraw/zinc/31/64/17/671316417.db2.gz UZIVAKQEWKQVIY-ZNMIVQPWSA-N 2 1 359.540 0.693 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)CC)CC1 ZINC000849081760 671317219 /nfs/dbraw/zinc/31/72/19/671317219.db2.gz CAAOOILBDYZLRH-OAHLLOKOSA-N 2 1 359.540 0.646 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174255 671492449 /nfs/dbraw/zinc/49/24/49/671492449.db2.gz XXLLHKJMDFNVPK-OAHLLOKOSA-N 2 1 357.495 0.793 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174255 671492452 /nfs/dbraw/zinc/49/24/52/671492452.db2.gz XXLLHKJMDFNVPK-OAHLLOKOSA-N 2 1 357.495 0.793 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC000903524902 675938350 /nfs/dbraw/zinc/93/83/50/675938350.db2.gz DMVRODNURSINLL-HIFRSBDPSA-N 2 1 351.476 0.838 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049481719 675950253 /nfs/dbraw/zinc/95/02/53/675950253.db2.gz JFHQFWXBCWQFNS-VVLHAWIVSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049481719 675950255 /nfs/dbraw/zinc/95/02/55/675950255.db2.gz JFHQFWXBCWQFNS-VVLHAWIVSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481719 675950256 /nfs/dbraw/zinc/95/02/56/675950256.db2.gz JFHQFWXBCWQFNS-VVLHAWIVSA-N 2 1 371.547 0.827 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049481719 675950257 /nfs/dbraw/zinc/95/02/57/675950257.db2.gz JFHQFWXBCWQFNS-VVLHAWIVSA-N 2 1 371.547 0.827 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713421 675962734 /nfs/dbraw/zinc/96/27/34/675962734.db2.gz PWVILTDKTBBZPF-DLBZAZTESA-N 2 1 350.507 0.289 20 0 FCADMP O=C([C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713421 675962736 /nfs/dbraw/zinc/96/27/36/675962736.db2.gz PWVILTDKTBBZPF-DLBZAZTESA-N 2 1 350.507 0.289 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713421 675962738 /nfs/dbraw/zinc/96/27/38/675962738.db2.gz PWVILTDKTBBZPF-DLBZAZTESA-N 2 1 350.507 0.289 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000861754612 671991578 /nfs/dbraw/zinc/99/15/78/671991578.db2.gz NSYDIGHJBDZELA-GDBMZVCRSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000861754612 671991580 /nfs/dbraw/zinc/99/15/80/671991580.db2.gz NSYDIGHJBDZELA-GDBMZVCRSA-N 2 1 364.515 0.526 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903734018 675965223 /nfs/dbraw/zinc/96/52/23/675965223.db2.gz SKIIYAQNMIJEJX-PKOBYXMFSA-N 2 1 350.507 0.385 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000863633112 672144419 /nfs/dbraw/zinc/14/44/19/672144419.db2.gz XWIYWPYDBNLKSL-AWEZNQCLSA-N 2 1 354.495 0.707 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\CN1CCOCC1 ZINC000865088937 672225248 /nfs/dbraw/zinc/22/52/48/672225248.db2.gz KLPGXEGWKSRHNJ-POZKEBTKSA-N 2 1 352.523 0.749 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055545754 676023213 /nfs/dbraw/zinc/02/32/13/676023213.db2.gz SCLRSMXHRDKKJH-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055545754 676023216 /nfs/dbraw/zinc/02/32/16/676023216.db2.gz SCLRSMXHRDKKJH-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](F)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055614852 676027313 /nfs/dbraw/zinc/02/73/13/676027313.db2.gz KXMMMBVXNYMBMS-BMFZPTHFSA-N 2 1 356.486 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)COC)CC2)CC[N@H+]1C ZINC001055583422 676025249 /nfs/dbraw/zinc/02/52/49/676025249.db2.gz MZQNDHQLVAQSIX-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CSCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583471 676025378 /nfs/dbraw/zinc/02/53/78/676025378.db2.gz OZWSQRPUJQCBEY-UKRRQHHQSA-N 2 1 356.536 0.386 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141327 672594163 /nfs/dbraw/zinc/59/41/63/672594163.db2.gz FSVKCSYDMPVVMW-IRXDYDNUSA-N 2 1 351.491 0.716 20 0 FCADMP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211765 672712204 /nfs/dbraw/zinc/71/22/04/672712204.db2.gz AVRHBOHIWHDWJZ-UHFFFAOYSA-N 2 1 350.488 0.564 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCCOC3)CC2)O1 ZINC001000838049 676061185 /nfs/dbraw/zinc/06/11/85/676061185.db2.gz RACCELBLOFOFEJ-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](C[C@H]3CCCOC3)CC2)O1 ZINC001000838049 676061187 /nfs/dbraw/zinc/06/11/87/676061187.db2.gz RACCELBLOFOFEJ-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](C[C@H]3CCCOC3)CC2)O1 ZINC001000838049 676061189 /nfs/dbraw/zinc/06/11/89/676061189.db2.gz RACCELBLOFOFEJ-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](C[C@H]3CCCOC3)CC2)O1 ZINC001000838049 676061191 /nfs/dbraw/zinc/06/11/91/676061191.db2.gz RACCELBLOFOFEJ-KBAYOESNSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001418895 676071432 /nfs/dbraw/zinc/07/14/32/676071432.db2.gz PCDPRXIGIYAOIH-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@]1(COC)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000876717150 672974488 /nfs/dbraw/zinc/97/44/88/672974488.db2.gz XUDJLEKHFABRNE-FUHWJXTLSA-N 2 1 357.495 0.245 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000876722185 672974987 /nfs/dbraw/zinc/97/49/87/672974987.db2.gz PLFLALACDFXETE-UHFFFAOYSA-N 2 1 365.503 0.504 20 0 FCADMP C[N@H+](Cc1cccc(S(N)(=O)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526659 673017704 /nfs/dbraw/zinc/01/77/04/673017704.db2.gz UVPLERWLTIYHEC-QGZVFWFLSA-N 2 1 366.531 0.934 20 0 FCADMP C[N@@H+](Cc1cccc(S(N)(=O)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526659 673017707 /nfs/dbraw/zinc/01/77/07/673017707.db2.gz UVPLERWLTIYHEC-QGZVFWFLSA-N 2 1 366.531 0.934 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH+]2CC2CCOCC2)CC[N@@H+]1C ZINC001050932031 676096008 /nfs/dbraw/zinc/09/60/08/676096008.db2.gz SLBMJKWQFFNAHQ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH+]2CC2CCOCC2)CC[N@H+]1C ZINC001050932031 676096012 /nfs/dbraw/zinc/09/60/12/676096012.db2.gz SLBMJKWQFFNAHQ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)CC[NH+]1C ZINC001050932031 676096016 /nfs/dbraw/zinc/09/60/16/676096016.db2.gz SLBMJKWQFFNAHQ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)CC[NH+]1C ZINC001050932031 676096020 /nfs/dbraw/zinc/09/60/20/676096020.db2.gz SLBMJKWQFFNAHQ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000878980792 673091486 /nfs/dbraw/zinc/09/14/86/673091486.db2.gz FJGIRLFTDUORBA-FZDBZEDMSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1CC[Si](C)(C)CC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000878980792 673091491 /nfs/dbraw/zinc/09/14/91/673091491.db2.gz FJGIRLFTDUORBA-FZDBZEDMSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC[Si](C)(C)CC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000878980792 673091499 /nfs/dbraw/zinc/09/14/99/673091499.db2.gz FJGIRLFTDUORBA-FZDBZEDMSA-N 2 1 374.598 0.330 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC001051624241 676107003 /nfs/dbraw/zinc/10/70/03/676107003.db2.gz OCPMVRUSTPGAPT-AEGPPILISA-N 2 1 353.492 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nonc3C)C2)CC[N@@H+]1C ZINC001051624249 676107296 /nfs/dbraw/zinc/10/72/96/676107296.db2.gz OHAXVCDJBPMYQB-IJEWVQPXSA-N 2 1 351.451 0.425 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nonc3C)C2)CC[N@H+]1C ZINC001051624249 676107298 /nfs/dbraw/zinc/10/72/98/676107298.db2.gz OHAXVCDJBPMYQB-IJEWVQPXSA-N 2 1 351.451 0.425 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001052042306 676113387 /nfs/dbraw/zinc/11/33/87/676113387.db2.gz ARIVBQPABWVFRO-KBAYOESNSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001052042306 676113389 /nfs/dbraw/zinc/11/33/89/676113389.db2.gz ARIVBQPABWVFRO-KBAYOESNSA-N 2 1 350.507 0.334 20 0 FCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883204583 673368935 /nfs/dbraw/zinc/36/89/35/673368935.db2.gz DOEQHOCKPCJOGI-HNNXBMFYSA-N 2 1 351.495 0.596 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CCC23CCC3)C1 ZINC000883458823 673376725 /nfs/dbraw/zinc/37/67/25/673376725.db2.gz YCYLZPNZQPUKDI-QGZVFWFLSA-N 2 1 352.523 0.677 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000883538588 673382169 /nfs/dbraw/zinc/38/21/69/673382169.db2.gz YUUWBUXPWZUIJK-RHSMWYFYSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000883538588 673382170 /nfs/dbraw/zinc/38/21/70/673382170.db2.gz YUUWBUXPWZUIJK-RHSMWYFYSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C[C@H](C)[N@H+]1CCO ZINC000883653676 673389021 /nfs/dbraw/zinc/38/90/21/673389021.db2.gz FIQCJSCOQMTADB-GASCZTMLSA-N 2 1 354.495 0.020 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000883653676 673389024 /nfs/dbraw/zinc/38/90/24/673389024.db2.gz FIQCJSCOQMTADB-GASCZTMLSA-N 2 1 354.495 0.020 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883770666 673395083 /nfs/dbraw/zinc/39/50/83/673395083.db2.gz XLWWEJJQCPMZNB-GOEBONIOSA-N 2 1 353.511 0.569 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883770666 673395086 /nfs/dbraw/zinc/39/50/86/673395086.db2.gz XLWWEJJQCPMZNB-GOEBONIOSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884494085 673457156 /nfs/dbraw/zinc/45/71/56/673457156.db2.gz KARVIHKTFLGHKB-TXPKVOOTSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C[C@H]1C[NH3+] ZINC000884508169 673458274 /nfs/dbraw/zinc/45/82/74/673458274.db2.gz WSNNONAHMUCOIV-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000884554307 673461582 /nfs/dbraw/zinc/46/15/82/673461582.db2.gz QPYWSFNEOPJDED-PJIJBLCYSA-N 2 1 350.507 0.951 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884555390 673461896 /nfs/dbraw/zinc/46/18/96/673461896.db2.gz QGVCNMASUYKZLB-DNIRFERGSA-N 2 1 362.396 0.181 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000884576625 673463521 /nfs/dbraw/zinc/46/35/21/673463521.db2.gz MBIOQVFPEKGLOQ-CHWSQXEVSA-N 2 1 374.457 0.828 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884603292 673465061 /nfs/dbraw/zinc/46/50/61/673465061.db2.gz GMTHQPGFQFJVHP-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000884616672 673466246 /nfs/dbraw/zinc/46/62/46/673466246.db2.gz AEWBURPGHDKNTD-JFGNBEQYSA-N 2 1 350.385 0.181 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000884623511 673466929 /nfs/dbraw/zinc/46/69/29/673466929.db2.gz FWMPUSVELCETGH-DRZSPHRISA-N 2 1 362.396 0.349 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000884623797 673466968 /nfs/dbraw/zinc/46/69/68/673466968.db2.gz OWVSJAUHLUHSBV-IFXJQAMLSA-N 2 1 350.507 0.977 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664147 673470691 /nfs/dbraw/zinc/47/06/91/673470691.db2.gz DTMWVWBOIIYRPX-QWHCGFSZSA-N 2 1 360.449 0.584 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884954332 673493163 /nfs/dbraw/zinc/49/31/63/673493163.db2.gz CMLLYQBMVBXXBZ-CVEARBPZSA-N 2 1 369.535 0.967 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885010520 673497574 /nfs/dbraw/zinc/49/75/74/673497574.db2.gz QGTQQRQKPRXWNK-NXOAAHMSSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000885889213 673553520 /nfs/dbraw/zinc/55/35/20/673553520.db2.gz YYJDDDBYSXTWGF-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000885889213 673553522 /nfs/dbraw/zinc/55/35/22/673553522.db2.gz YYJDDDBYSXTWGF-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000885889213 673553524 /nfs/dbraw/zinc/55/35/24/673553524.db2.gz YYJDDDBYSXTWGF-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887079162 673620519 /nfs/dbraw/zinc/62/05/19/673620519.db2.gz LJUXPEDUSLNHSJ-VQIMIIECSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000887607190 673635336 /nfs/dbraw/zinc/63/53/36/673635336.db2.gz YJLBNOGETRGJGO-KGLIPLIRSA-N 2 1 351.451 0.644 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138270 673707158 /nfs/dbraw/zinc/70/71/58/673707158.db2.gz VOQYKQSPCABCJW-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000925444021 673792446 /nfs/dbraw/zinc/79/24/46/673792446.db2.gz AYMFCLGLOLATQL-HZPDHXFCSA-N 2 1 350.463 0.646 20 0 FCADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926355919 673826243 /nfs/dbraw/zinc/82/62/43/673826243.db2.gz BLEXOYGUJVMDBJ-OAHLLOKOSA-N 2 1 360.568 0.662 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000926444205 673831479 /nfs/dbraw/zinc/83/14/79/673831479.db2.gz QPRSAXNLEZUOGE-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000926444205 673831481 /nfs/dbraw/zinc/83/14/81/673831481.db2.gz QPRSAXNLEZUOGE-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC000927636189 673873056 /nfs/dbraw/zinc/87/30/56/673873056.db2.gz KQOVSFRWPADDHB-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)C[NH+]1CCO ZINC000927636189 673873060 /nfs/dbraw/zinc/87/30/60/673873060.db2.gz KQOVSFRWPADDHB-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)C[NH+]1CCO ZINC000927636189 673873062 /nfs/dbraw/zinc/87/30/62/673873062.db2.gz KQOVSFRWPADDHB-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929429115 673955990 /nfs/dbraw/zinc/95/59/90/673955990.db2.gz XEVQNZVUPAZECE-FCGDIQPGSA-N 2 1 355.523 0.379 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929429115 673955992 /nfs/dbraw/zinc/95/59/92/673955992.db2.gz XEVQNZVUPAZECE-FCGDIQPGSA-N 2 1 355.523 0.379 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000929754308 673975418 /nfs/dbraw/zinc/97/54/18/673975418.db2.gz FDENELAKXPWFSY-OAHLLOKOSA-N 2 1 364.515 0.897 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000929754308 673975419 /nfs/dbraw/zinc/97/54/19/673975419.db2.gz FDENELAKXPWFSY-OAHLLOKOSA-N 2 1 364.515 0.897 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756374 673975533 /nfs/dbraw/zinc/97/55/33/673975533.db2.gz UYGZXQQWZMLICC-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756374 673975534 /nfs/dbraw/zinc/97/55/34/673975534.db2.gz UYGZXQQWZMLICC-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000929756374 673975537 /nfs/dbraw/zinc/97/55/37/673975537.db2.gz UYGZXQQWZMLICC-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000929756374 673975538 /nfs/dbraw/zinc/97/55/38/673975538.db2.gz UYGZXQQWZMLICC-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC000968728087 675227029 /nfs/dbraw/zinc/22/70/29/675227029.db2.gz CTUZLPHRVYZFMG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC000968728472 675227561 /nfs/dbraw/zinc/22/75/61/675227561.db2.gz QKSNIIDNLRDLDR-JHJVBQTASA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC000968728472 675227567 /nfs/dbraw/zinc/22/75/67/675227567.db2.gz QKSNIIDNLRDLDR-JHJVBQTASA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCS(C)(=O)=O)CC[N@@H+]1C ZINC000968867490 675242069 /nfs/dbraw/zinc/24/20/69/675242069.db2.gz XEXQPNMZRVZHEO-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCS(C)(=O)=O)CC[N@H+]1C ZINC000968867490 675242078 /nfs/dbraw/zinc/24/20/78/675242078.db2.gz XEXQPNMZRVZHEO-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC000968867490 675242081 /nfs/dbraw/zinc/24/20/81/675242081.db2.gz XEXQPNMZRVZHEO-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC000968867490 675242084 /nfs/dbraw/zinc/24/20/84/675242084.db2.gz XEXQPNMZRVZHEO-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC001011209118 675377015 /nfs/dbraw/zinc/37/70/15/675377015.db2.gz HJPQBDQIMUOCKE-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC001011209118 675377017 /nfs/dbraw/zinc/37/70/17/675377017.db2.gz HJPQBDQIMUOCKE-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC001011209118 675377021 /nfs/dbraw/zinc/37/70/21/675377021.db2.gz HJPQBDQIMUOCKE-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001011210753 675377275 /nfs/dbraw/zinc/37/72/75/675377275.db2.gz NVNIELJGPVUSTK-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001011210753 675377276 /nfs/dbraw/zinc/37/72/76/675377276.db2.gz NVNIELJGPVUSTK-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001011210753 675377277 /nfs/dbraw/zinc/37/72/77/675377277.db2.gz NVNIELJGPVUSTK-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001020302473 675440312 /nfs/dbraw/zinc/44/03/12/675440312.db2.gz TUBCNYVLDMYSKT-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C)CC[NH+]1C ZINC001020346266 675441032 /nfs/dbraw/zinc/44/10/32/675441032.db2.gz QGWQWWGVJHVWFR-WTTBNOFXSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C)CC[N@@H+]1C ZINC001020346266 675441034 /nfs/dbraw/zinc/44/10/34/675441034.db2.gz QGWQWWGVJHVWFR-WTTBNOFXSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C)CC[N@H+]1C ZINC001020346266 675441037 /nfs/dbraw/zinc/44/10/37/675441037.db2.gz QGWQWWGVJHVWFR-WTTBNOFXSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)CC[N@H+]1C ZINC001041302661 675512396 /nfs/dbraw/zinc/51/23/96/675512396.db2.gz XUNABHZUKXFRSW-FRQCXROJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001041302661 675512400 /nfs/dbraw/zinc/51/24/00/675512400.db2.gz XUNABHZUKXFRSW-FRQCXROJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)CC[NH+]1C ZINC001041302661 675512402 /nfs/dbraw/zinc/51/24/02/675512402.db2.gz XUNABHZUKXFRSW-FRQCXROJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001042748407 675543108 /nfs/dbraw/zinc/54/31/08/675543108.db2.gz DLGQKYNLPLZFNI-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001042748407 675543109 /nfs/dbraw/zinc/54/31/09/675543109.db2.gz DLGQKYNLPLZFNI-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001045043530 675649692 /nfs/dbraw/zinc/64/96/92/675649692.db2.gz HJDKWHYRFCSYBG-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001045445152 675654096 /nfs/dbraw/zinc/65/40/96/675654096.db2.gz VRMSHVFCEACPDP-MGPQQGTHSA-N 2 1 350.463 0.103 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900694253 675708467 /nfs/dbraw/zinc/70/84/67/675708467.db2.gz BZYKSDLRNYHNRF-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000801544908 675790648 /nfs/dbraw/zinc/79/06/48/675790648.db2.gz WNMHGABRBYTFAE-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@H+]1C ZINC001047384967 675795796 /nfs/dbraw/zinc/79/57/96/675795796.db2.gz QEKLIFFCRLJCMN-OJLVUWQFSA-N 2 1 352.504 0.529 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001047384967 675795798 /nfs/dbraw/zinc/79/57/98/675795798.db2.gz QEKLIFFCRLJCMN-OJLVUWQFSA-N 2 1 352.504 0.529 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001047384967 675795799 /nfs/dbraw/zinc/79/57/99/675795799.db2.gz QEKLIFFCRLJCMN-OJLVUWQFSA-N 2 1 352.504 0.529 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112470245 1167768893 /nfs/dbraw/zinc/76/88/93/1167768893.db2.gz GPUZNQPUQPSMFC-KXBFYZLASA-N 2 1 359.474 0.688 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000988537243 1192266372 /nfs/dbraw/zinc/26/63/72/1192266372.db2.gz XSENVTBDUKQODP-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000988537243 1192266388 /nfs/dbraw/zinc/26/63/88/1192266388.db2.gz XSENVTBDUKQODP-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000988537243 1192266404 /nfs/dbraw/zinc/26/64/04/1192266404.db2.gz XSENVTBDUKQODP-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3nccn3C)[C@H]2C)CC[N@H+]1C ZINC001020470724 1167888628 /nfs/dbraw/zinc/88/86/28/1167888628.db2.gz QTUSPNSQSUSVDJ-QXSJWSMHSA-N 2 1 361.490 0.799 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988542699 1192270965 /nfs/dbraw/zinc/27/09/65/1192270965.db2.gz CMVIWXPHMBXAIM-PMPSAXMXSA-N 2 1 371.485 0.962 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC000970043241 1168304047 /nfs/dbraw/zinc/30/40/47/1168304047.db2.gz SWAMJIYUANIVAL-QRQLOZEOSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC000970043241 1168304053 /nfs/dbraw/zinc/30/40/53/1168304053.db2.gz SWAMJIYUANIVAL-QRQLOZEOSA-N 2 1 368.485 0.851 20 0 FCADMP CCNC(=O)CO[C@H]1CCCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001167148738 1168404695 /nfs/dbraw/zinc/40/46/95/1168404695.db2.gz INMKDMMTLXLZHJ-HNNXBMFYSA-N 2 1 362.478 0.526 20 0 FCADMP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481983 1168565177 /nfs/dbraw/zinc/56/51/77/1168565177.db2.gz ZSLUUKRCYJSSRK-OOOMTDJDSA-N 2 1 363.502 0.714 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001021242126 1168859353 /nfs/dbraw/zinc/85/93/53/1168859353.db2.gz SVQBRDVXLIILAO-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001021708853 1169907469 /nfs/dbraw/zinc/90/74/69/1169907469.db2.gz KBWQGNITYQRMLK-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001021711764 1169914375 /nfs/dbraw/zinc/91/43/75/1169914375.db2.gz CHYAWJDQUIHIFF-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001021711764 1169914394 /nfs/dbraw/zinc/91/43/94/1169914394.db2.gz CHYAWJDQUIHIFF-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001021711764 1169914398 /nfs/dbraw/zinc/91/43/98/1169914398.db2.gz CHYAWJDQUIHIFF-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021712009 1169914812 /nfs/dbraw/zinc/91/48/12/1169914812.db2.gz IOUOYYNMUNKSLR-JKSUJKDBSA-N 2 1 357.458 0.347 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001021712940 1169919999 /nfs/dbraw/zinc/91/99/99/1169919999.db2.gz XAGZCJLPTQFSFN-LZLYRXPVSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4cncn4C)C[C@H]32)CC[N@H+]1C ZINC001021801154 1170073400 /nfs/dbraw/zinc/07/34/00/1170073400.db2.gz CMSSDRNQZSAWBY-YALNPMBYSA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4cnc[nH]4)C[C@H]32)CC[N@H+]1C ZINC001021802419 1170077353 /nfs/dbraw/zinc/07/73/53/1170077353.db2.gz CAZOLGULPYEYPM-YALNPMBYSA-N 2 1 359.474 0.742 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104346457 1170131828 /nfs/dbraw/zinc/13/18/28/1170131828.db2.gz BUKHLEKXUTWFBB-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104346457 1170131857 /nfs/dbraw/zinc/13/18/57/1170131857.db2.gz BUKHLEKXUTWFBB-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104362621 1170487778 /nfs/dbraw/zinc/48/77/78/1170487778.db2.gz AFYVGECFKSKFTM-KFWWJZLASA-N 2 1 366.506 0.596 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569255 1170544633 /nfs/dbraw/zinc/54/46/33/1170544633.db2.gz AJSRHSPDISBNIO-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569255 1170544642 /nfs/dbraw/zinc/54/46/42/1170544642.db2.gz AJSRHSPDISBNIO-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000971569255 1170544648 /nfs/dbraw/zinc/54/46/48/1170544648.db2.gz AJSRHSPDISBNIO-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022211415 1170754196 /nfs/dbraw/zinc/75/41/96/1170754196.db2.gz QWZCRRIHULKGOO-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000124288772 1170780551 /nfs/dbraw/zinc/78/05/51/1170780551.db2.gz GVFWRWFSIQMCLR-WMLDXEAASA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000124288772 1170780557 /nfs/dbraw/zinc/78/05/57/1170780557.db2.gz GVFWRWFSIQMCLR-WMLDXEAASA-N 2 1 362.474 0.565 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001691096003 1170801262 /nfs/dbraw/zinc/80/12/62/1170801262.db2.gz RFUJLSLHJKAKLB-APIJFGDWSA-N 2 1 363.462 0.746 20 0 FCADMP CN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001022252996 1170807597 /nfs/dbraw/zinc/80/75/97/1170807597.db2.gz JIHQDNRBJBFVRO-GVDBMIGSSA-N 2 1 359.474 0.817 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)O1 ZINC001022275893 1170823854 /nfs/dbraw/zinc/82/38/54/1170823854.db2.gz UTARKSPBZCUMLX-GNNCWXLZSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)O1 ZINC001022275893 1170823857 /nfs/dbraw/zinc/82/38/57/1170823857.db2.gz UTARKSPBZCUMLX-GNNCWXLZSA-N 2 1 365.449 0.815 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C[C@]2(C)C1 ZINC000891714243 1170833008 /nfs/dbraw/zinc/83/30/08/1170833008.db2.gz NRTIVEBNIWYCJC-XLIONFOSSA-N 2 1 372.517 0.927 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353336 1170836283 /nfs/dbraw/zinc/83/62/83/1170836283.db2.gz MWVWKLJCUZGKRD-GJZGRUSLSA-N 2 1 362.478 0.672 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353336 1170836289 /nfs/dbraw/zinc/83/62/89/1170836289.db2.gz MWVWKLJCUZGKRD-GJZGRUSLSA-N 2 1 362.478 0.672 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353336 1170836292 /nfs/dbraw/zinc/83/62/92/1170836292.db2.gz MWVWKLJCUZGKRD-GJZGRUSLSA-N 2 1 362.478 0.672 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000548353336 1170836293 /nfs/dbraw/zinc/83/62/93/1170836293.db2.gz MWVWKLJCUZGKRD-GJZGRUSLSA-N 2 1 362.478 0.672 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@@H](C)O1 ZINC000891728718 1170837128 /nfs/dbraw/zinc/83/71/28/1170837128.db2.gz OKCIWMRVQJNOMJ-BRSBDYLESA-N 2 1 368.522 0.726 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)nn1C ZINC001691256719 1170895491 /nfs/dbraw/zinc/89/54/91/1170895491.db2.gz FMZKOHOIKGWJIX-DLBZAZTESA-N 2 1 363.506 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001691271917 1171007545 /nfs/dbraw/zinc/00/75/45/1171007545.db2.gz MATBQFJVOVOWOA-QWHCGFSZSA-N 2 1 368.507 0.691 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691333759 1171128564 /nfs/dbraw/zinc/12/85/64/1171128564.db2.gz QOXGFLFHCABCLN-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001691335287 1171133731 /nfs/dbraw/zinc/13/37/31/1171133731.db2.gz LHEHHMZKEOUDPG-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001691348412 1171169277 /nfs/dbraw/zinc/16/92/77/1171169277.db2.gz HGNWGXIXAQZBQC-GDBMZVCRSA-N 2 1 350.463 0.673 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970522 1171360264 /nfs/dbraw/zinc/36/02/64/1171360264.db2.gz LOUZZPDLLXPJPX-QGZVFWFLSA-N 2 1 359.474 0.300 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001022524121 1171362640 /nfs/dbraw/zinc/36/26/40/1171362640.db2.gz MOVUKUYRGSFWAW-ARFHVFGLSA-N 2 1 359.474 0.884 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+](C)CC1 ZINC000892130509 1171620275 /nfs/dbraw/zinc/62/02/75/1171620275.db2.gz MOFXVDUCEUUEIP-UHFFFAOYSA-N 2 1 374.533 0.935 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083455407 1192478101 /nfs/dbraw/zinc/47/81/01/1192478101.db2.gz BTDZERKIHQKSJE-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083455407 1192478110 /nfs/dbraw/zinc/47/81/10/1192478110.db2.gz BTDZERKIHQKSJE-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083455407 1192478114 /nfs/dbraw/zinc/47/81/14/1192478114.db2.gz BTDZERKIHQKSJE-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083455407 1192478117 /nfs/dbraw/zinc/47/81/17/1192478117.db2.gz BTDZERKIHQKSJE-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456040 1192480762 /nfs/dbraw/zinc/48/07/62/1192480762.db2.gz DRRVDOOIZHQDKA-QRVBRYPASA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456040 1192480770 /nfs/dbraw/zinc/48/07/70/1192480770.db2.gz DRRVDOOIZHQDKA-QRVBRYPASA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456040 1192480777 /nfs/dbraw/zinc/48/07/77/1192480777.db2.gz DRRVDOOIZHQDKA-QRVBRYPASA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083456040 1192480784 /nfs/dbraw/zinc/48/07/84/1192480784.db2.gz DRRVDOOIZHQDKA-QRVBRYPASA-N 2 1 361.486 0.713 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000892221337 1171770284 /nfs/dbraw/zinc/77/02/84/1171770284.db2.gz SZUUNMOSKNFXTO-UHFFFAOYSA-N 2 1 362.474 0.304 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000892262627 1171844982 /nfs/dbraw/zinc/84/49/82/1171844982.db2.gz DPMAXYBYLVBDSK-NVXWUHKLSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001022747002 1171855443 /nfs/dbraw/zinc/85/54/43/1171855443.db2.gz WFKQSMPVOCMJHG-MDMSPXHWSA-N 2 1 356.470 0.457 20 0 FCADMP Cc1ccc(CN2CCO[C@@H](CNC(=O)NC[C@@H]3COCCN3)C2)cc1 ZINC000892289945 1172023240 /nfs/dbraw/zinc/02/32/40/1172023240.db2.gz PBZCIXTZSCDQMD-MSOLQXFVSA-N 2 1 362.474 0.483 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(NC(N)=[NH2+])cc1)C2 ZINC001272134309 1192571353 /nfs/dbraw/zinc/57/13/53/1192571353.db2.gz JKACGIWUKUNMPG-DOMZBBRYSA-N 2 1 358.446 0.226 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(NC(N)=[NH2+])cc1)C2 ZINC001272134309 1192571358 /nfs/dbraw/zinc/57/13/58/1192571358.db2.gz JKACGIWUKUNMPG-DOMZBBRYSA-N 2 1 358.446 0.226 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000897677390 1192841066 /nfs/dbraw/zinc/84/10/66/1192841066.db2.gz NXNNJTAVGBFRPO-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000898005931 1192853666 /nfs/dbraw/zinc/85/36/66/1192853666.db2.gz LOZZMIMBQDOLHY-BZUAXINKSA-N 2 1 371.485 0.860 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000842036385 1192861470 /nfs/dbraw/zinc/86/14/70/1192861470.db2.gz XSICMTXPYKWNPK-CJNGLKHVSA-N 2 1 370.457 0.778 20 0 FCADMP CC(C)COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001691547521 1192868680 /nfs/dbraw/zinc/86/86/80/1192868680.db2.gz FSDOEWBKTIYORO-FGTMMUONSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001691547521 1192868681 /nfs/dbraw/zinc/86/86/81/1192868681.db2.gz FSDOEWBKTIYORO-FGTMMUONSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001691547521 1192868683 /nfs/dbraw/zinc/86/86/83/1192868683.db2.gz FSDOEWBKTIYORO-FGTMMUONSA-N 2 1 353.507 0.770 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001691547521 1192868684 /nfs/dbraw/zinc/86/86/84/1192868684.db2.gz FSDOEWBKTIYORO-FGTMMUONSA-N 2 1 353.507 0.770 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001691552280 1192873306 /nfs/dbraw/zinc/87/33/06/1192873306.db2.gz BRIBTNZFNMZKJE-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001691552280 1192873307 /nfs/dbraw/zinc/87/33/07/1192873307.db2.gz BRIBTNZFNMZKJE-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001691552280 1192873308 /nfs/dbraw/zinc/87/33/08/1192873308.db2.gz BRIBTNZFNMZKJE-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389541 1180211253 /nfs/dbraw/zinc/21/12/53/1180211253.db2.gz NMMBHIBYUVVWKZ-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024036477 1180805457 /nfs/dbraw/zinc/80/54/57/1180805457.db2.gz NCSZRXHHNJETNL-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024036477 1180805458 /nfs/dbraw/zinc/80/54/58/1180805458.db2.gz NCSZRXHHNJETNL-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001024038574 1180805849 /nfs/dbraw/zinc/80/58/49/1180805849.db2.gz JGIAMMKRDFBUFC-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001024038574 1180805853 /nfs/dbraw/zinc/80/58/53/1180805853.db2.gz JGIAMMKRDFBUFC-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024650184 1181437136 /nfs/dbraw/zinc/43/71/36/1181437136.db2.gz PKPPMIQVSOVJKB-IAOVAPTHSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274263 1181749552 /nfs/dbraw/zinc/74/95/52/1181749552.db2.gz DWDHXDBSTIVRKY-GBESFXJTSA-N 2 1 359.470 0.542 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274263 1181749558 /nfs/dbraw/zinc/74/95/58/1181749558.db2.gz DWDHXDBSTIVRKY-GBESFXJTSA-N 2 1 359.470 0.542 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274263 1181749562 /nfs/dbraw/zinc/74/95/62/1181749562.db2.gz DWDHXDBSTIVRKY-GBESFXJTSA-N 2 1 359.470 0.542 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274263 1181749566 /nfs/dbraw/zinc/74/95/66/1181749566.db2.gz DWDHXDBSTIVRKY-GBESFXJTSA-N 2 1 359.470 0.542 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001024999800 1181844775 /nfs/dbraw/zinc/84/47/75/1181844775.db2.gz AOVQLTOCCAIIOL-ZTFGCOKTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001024999800 1181844779 /nfs/dbraw/zinc/84/47/79/1181844779.db2.gz AOVQLTOCCAIIOL-ZTFGCOKTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972986994 1181847250 /nfs/dbraw/zinc/84/72/50/1181847250.db2.gz DDEXAPWQZURZMN-IAGOWNOFSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001927 1181847953 /nfs/dbraw/zinc/84/79/53/1181847953.db2.gz VSNTVFJZRPETDC-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001480975855 1181860017 /nfs/dbraw/zinc/86/00/17/1181860017.db2.gz KBPNXIYDDQDKBE-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001480975855 1181860020 /nfs/dbraw/zinc/86/00/20/1181860020.db2.gz KBPNXIYDDQDKBE-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001480975855 1181860024 /nfs/dbraw/zinc/86/00/24/1181860024.db2.gz KBPNXIYDDQDKBE-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001480975855 1181860026 /nfs/dbraw/zinc/86/00/26/1181860026.db2.gz KBPNXIYDDQDKBE-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4C)[C@H]3C2)C1 ZINC001083276314 1181868268 /nfs/dbraw/zinc/86/82/68/1181868268.db2.gz XPLSWQLLQTXMHM-ZGUYJTEBSA-N 2 1 362.474 0.918 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4C)[C@H]3C2)C1 ZINC001083276314 1181868273 /nfs/dbraw/zinc/86/82/73/1181868273.db2.gz XPLSWQLLQTXMHM-ZGUYJTEBSA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972995597 1181870026 /nfs/dbraw/zinc/87/00/26/1181870026.db2.gz XWVNMVDJVLAWOR-KBAYOESNSA-N 2 1 362.518 0.729 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000973000327 1181878096 /nfs/dbraw/zinc/87/80/96/1181878096.db2.gz QYFVZSZIBIYLIC-BRWVUGGUSA-N 2 1 359.474 0.817 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595678 1182259029 /nfs/dbraw/zinc/25/90/29/1182259029.db2.gz YGDDVFXFJXBGHB-BMFZPTHFSA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104683923 1182366506 /nfs/dbraw/zinc/36/65/06/1182366506.db2.gz VFOMVEVFAFAWRK-HUUCEWRRSA-N 2 1 363.510 0.516 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000892704754 1182384095 /nfs/dbraw/zinc/38/40/95/1182384095.db2.gz NZHQGIGSLIESTN-QZTJIDSGSA-N 2 1 373.501 0.824 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NC1CC1 ZINC001481136697 1182444325 /nfs/dbraw/zinc/44/43/25/1182444325.db2.gz MOHLGZWEBSJQQX-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NC1CC1 ZINC001481136697 1182444329 /nfs/dbraw/zinc/44/43/29/1182444329.db2.gz MOHLGZWEBSJQQX-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC(=O)NC1CC1 ZINC001481136697 1182444330 /nfs/dbraw/zinc/44/43/30/1182444330.db2.gz MOHLGZWEBSJQQX-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC(=O)NC1CC1 ZINC001481136697 1182444335 /nfs/dbraw/zinc/44/43/35/1182444335.db2.gz MOHLGZWEBSJQQX-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765094 1182485519 /nfs/dbraw/zinc/48/55/19/1182485519.db2.gz AGEBLXXFBVJTDT-CVEARBPZSA-N 2 1 368.522 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC[C@@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC001025793294 1182845256 /nfs/dbraw/zinc/84/52/56/1182845256.db2.gz DVDLUZVMIXUTJE-CFHZMDMSSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC[C@@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC001025793294 1182845257 /nfs/dbraw/zinc/84/52/57/1182845257.db2.gz DVDLUZVMIXUTJE-CFHZMDMSSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC[C@@H](C)C4)C[C@H]32)CC[NH+]1C ZINC001025793294 1182845259 /nfs/dbraw/zinc/84/52/59/1182845259.db2.gz DVDLUZVMIXUTJE-CFHZMDMSSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC[C@@H](C)C4)C[C@H]32)CC[NH+]1C ZINC001025793294 1182845264 /nfs/dbraw/zinc/84/52/64/1182845264.db2.gz DVDLUZVMIXUTJE-CFHZMDMSSA-N 2 1 362.518 0.632 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052491 1182869697 /nfs/dbraw/zinc/86/96/97/1182869697.db2.gz FOOXRUPGSWUHQI-OKZBNKHCSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052491 1182869698 /nfs/dbraw/zinc/86/96/98/1182869698.db2.gz FOOXRUPGSWUHQI-OKZBNKHCSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052491 1182869701 /nfs/dbraw/zinc/86/97/01/1182869701.db2.gz FOOXRUPGSWUHQI-OKZBNKHCSA-N 2 1 365.522 0.271 20 0 FCADMP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893053051 1182869745 /nfs/dbraw/zinc/86/97/45/1182869745.db2.gz KHCIWSPSDMWWHL-QGZVFWFLSA-N 2 1 369.554 0.622 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237932 1182967099 /nfs/dbraw/zinc/96/70/99/1182967099.db2.gz PSJFVWYWFLTMMN-FGTMMUONSA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237932 1182967110 /nfs/dbraw/zinc/96/71/10/1182967110.db2.gz PSJFVWYWFLTMMN-FGTMMUONSA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237932 1182967125 /nfs/dbraw/zinc/96/71/25/1182967125.db2.gz PSJFVWYWFLTMMN-FGTMMUONSA-N 2 1 367.538 0.111 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104873853 1182968306 /nfs/dbraw/zinc/96/83/06/1182968306.db2.gz HNWBOPPBEXFEDO-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104908408 1182991047 /nfs/dbraw/zinc/99/10/47/1182991047.db2.gz VVGYTCSOMBUGIO-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000974191953 1183044654 /nfs/dbraw/zinc/04/46/54/1183044654.db2.gz IZUWIPQOWIOMFF-KOWPAETKSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000974191953 1183044657 /nfs/dbraw/zinc/04/46/57/1183044657.db2.gz IZUWIPQOWIOMFF-KOWPAETKSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000974191953 1183044662 /nfs/dbraw/zinc/04/46/62/1183044662.db2.gz IZUWIPQOWIOMFF-KOWPAETKSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000974191953 1183044667 /nfs/dbraw/zinc/04/46/67/1183044667.db2.gz IZUWIPQOWIOMFF-KOWPAETKSA-N 2 1 366.506 0.199 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001105007938 1183066031 /nfs/dbraw/zinc/06/60/31/1183066031.db2.gz JGCLZQLTKXMENZ-KFWWJZLASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001105007938 1183066036 /nfs/dbraw/zinc/06/60/36/1183066036.db2.gz JGCLZQLTKXMENZ-KFWWJZLASA-N 2 1 365.478 0.742 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001026514796 1183145371 /nfs/dbraw/zinc/14/53/71/1183145371.db2.gz RTGDSGLFPMGDST-AGERRDQYSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001026514796 1183145377 /nfs/dbraw/zinc/14/53/77/1183145377.db2.gz RTGDSGLFPMGDST-AGERRDQYSA-N 2 1 363.506 0.699 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974446823 1183213574 /nfs/dbraw/zinc/21/35/74/1183213574.db2.gz WXFKJVAUBARMQH-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974446823 1183213581 /nfs/dbraw/zinc/21/35/81/1183213581.db2.gz WXFKJVAUBARMQH-IXDOHACOSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974592455 1183370590 /nfs/dbraw/zinc/37/05/90/1183370590.db2.gz NMKUNMBTRGWTSK-HZPDHXFCSA-N 2 1 357.458 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001026852730 1183416022 /nfs/dbraw/zinc/41/60/22/1183416022.db2.gz PWDGEJGGBSSRNI-QLFBSQMISA-N 2 1 363.510 0.706 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000975222837 1183765259 /nfs/dbraw/zinc/76/52/59/1183765259.db2.gz LUCSEJMREIQKEV-GVDBMIGSSA-N 2 1 360.502 0.483 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975205043 1183767797 /nfs/dbraw/zinc/76/77/97/1183767797.db2.gz WBZBFQWBWBATKR-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975205043 1183767804 /nfs/dbraw/zinc/76/78/04/1183767804.db2.gz WBZBFQWBWBATKR-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211748 1183774552 /nfs/dbraw/zinc/77/45/52/1183774552.db2.gz RVHREGZCQOGHHB-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211748 1183774556 /nfs/dbraw/zinc/77/45/56/1183774556.db2.gz RVHREGZCQOGHHB-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211748 1183774560 /nfs/dbraw/zinc/77/45/60/1183774560.db2.gz RVHREGZCQOGHHB-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000975226711 1183788299 /nfs/dbraw/zinc/78/82/99/1183788299.db2.gz SDSLZRNJBMQULD-KBAYOESNSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)CC[N@H+]1C ZINC000975736565 1185663915 /nfs/dbraw/zinc/66/39/15/1185663915.db2.gz XGCOUITUGHXCGX-XDNAFOTISA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC000975736362 1185664487 /nfs/dbraw/zinc/66/44/87/1185664487.db2.gz SELHYDFVEHUPJY-SPUZQDLCSA-N 2 1 373.501 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC000975736362 1185664496 /nfs/dbraw/zinc/66/44/96/1185664496.db2.gz SELHYDFVEHUPJY-SPUZQDLCSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000978876957 1186024183 /nfs/dbraw/zinc/02/41/83/1186024183.db2.gz BXDKKTCQOUKUGJ-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000978876957 1186024188 /nfs/dbraw/zinc/02/41/88/1186024188.db2.gz BXDKKTCQOUKUGJ-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000978876957 1186024192 /nfs/dbraw/zinc/02/41/92/1186024192.db2.gz BXDKKTCQOUKUGJ-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000978876957 1186024195 /nfs/dbraw/zinc/02/41/95/1186024195.db2.gz BXDKKTCQOUKUGJ-NNXHMXCWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000978962490 1186038659 /nfs/dbraw/zinc/03/86/59/1186038659.db2.gz HMJZJUCVHXMLQN-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000978962490 1186038664 /nfs/dbraw/zinc/03/86/64/1186038664.db2.gz HMJZJUCVHXMLQN-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000978962490 1186038668 /nfs/dbraw/zinc/03/86/68/1186038668.db2.gz HMJZJUCVHXMLQN-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000978962490 1186038672 /nfs/dbraw/zinc/03/86/72/1186038672.db2.gz HMJZJUCVHXMLQN-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000980015602 1186162716 /nfs/dbraw/zinc/16/27/16/1186162716.db2.gz JWRFNPOISPHDIQ-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)O1 ZINC000980015602 1186162728 /nfs/dbraw/zinc/16/27/28/1186162728.db2.gz JWRFNPOISPHDIQ-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000980015602 1186162733 /nfs/dbraw/zinc/16/27/33/1186162733.db2.gz JWRFNPOISPHDIQ-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)O1 ZINC000980015602 1186162742 /nfs/dbraw/zinc/16/27/42/1186162742.db2.gz JWRFNPOISPHDIQ-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981377072 1186405107 /nfs/dbraw/zinc/40/51/07/1186405107.db2.gz XHNZWPFUYQZKIC-GVDBMIGSSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000981649459 1186472664 /nfs/dbraw/zinc/47/26/64/1186472664.db2.gz GJUJBKOEUGIOTE-UAGQMJEPSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000981649459 1186472666 /nfs/dbraw/zinc/47/26/66/1186472666.db2.gz GJUJBKOEUGIOTE-UAGQMJEPSA-N 2 1 366.506 0.060 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981650301 1186472691 /nfs/dbraw/zinc/47/26/91/1186472691.db2.gz AINACMCDIHYIAL-DOTOQJQBSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776220 1186516925 /nfs/dbraw/zinc/51/69/25/1186516925.db2.gz HUZXJSGVNDCESP-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981776220 1186516926 /nfs/dbraw/zinc/51/69/26/1186516926.db2.gz HUZXJSGVNDCESP-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776220 1186516929 /nfs/dbraw/zinc/51/69/29/1186516929.db2.gz HUZXJSGVNDCESP-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCN(C)C2=O)C3)CC[N@H+]1C ZINC000981778319 1186518848 /nfs/dbraw/zinc/51/88/48/1186518848.db2.gz HKHXOLZBNCXUTP-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841629 1186544976 /nfs/dbraw/zinc/54/49/76/1186544976.db2.gz HVQNWUQGOSEBFK-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841629 1186544979 /nfs/dbraw/zinc/54/49/79/1186544979.db2.gz HVQNWUQGOSEBFK-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841629 1186544986 /nfs/dbraw/zinc/54/49/86/1186544986.db2.gz HVQNWUQGOSEBFK-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841629 1186544991 /nfs/dbraw/zinc/54/49/91/1186544991.db2.gz HVQNWUQGOSEBFK-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211703152 1186601492 /nfs/dbraw/zinc/60/14/92/1186601492.db2.gz WVZXLMUEIAZEMH-GBESFXJTSA-N 2 1 363.502 0.920 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306323 1186727966 /nfs/dbraw/zinc/72/79/66/1186727966.db2.gz POLFZYKOANVUQH-MXQZZYIMSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306323 1186727974 /nfs/dbraw/zinc/72/79/74/1186727974.db2.gz POLFZYKOANVUQH-MXQZZYIMSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306323 1186727985 /nfs/dbraw/zinc/72/79/85/1186727985.db2.gz POLFZYKOANVUQH-MXQZZYIMSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306323 1186727998 /nfs/dbraw/zinc/72/79/98/1186727998.db2.gz POLFZYKOANVUQH-MXQZZYIMSA-N 2 1 366.506 0.010 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211722347 1187470352 /nfs/dbraw/zinc/47/03/52/1187470352.db2.gz GODJULJVXIWGPE-ZWKOTPCHSA-N 2 1 369.469 0.864 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441556 1187494572 /nfs/dbraw/zinc/49/45/72/1187494572.db2.gz NVILMHPHTZWRGD-CGTJXYLNSA-N 2 1 358.486 0.788 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740144 1187513484 /nfs/dbraw/zinc/51/34/84/1187513484.db2.gz CPJXELISHLNYNC-MSOLQXFVSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893867861 1187519278 /nfs/dbraw/zinc/51/92/78/1187519278.db2.gz RWAGCPBORUPAMN-QZTJIDSGSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332894388 1187539419 /nfs/dbraw/zinc/53/94/19/1187539419.db2.gz YBDVJKXVMKCVBJ-IRXDYDNUSA-N 2 1 367.538 0.422 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629707 1187757254 /nfs/dbraw/zinc/75/72/54/1187757254.db2.gz QSLZXIBYHFFPLO-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629707 1187757256 /nfs/dbraw/zinc/75/72/56/1187757256.db2.gz QSLZXIBYHFFPLO-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629707 1187757259 /nfs/dbraw/zinc/75/72/59/1187757259.db2.gz QSLZXIBYHFFPLO-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001028629707 1187757261 /nfs/dbraw/zinc/75/72/61/1187757261.db2.gz QSLZXIBYHFFPLO-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001028629100 1187758048 /nfs/dbraw/zinc/75/80/48/1187758048.db2.gz GQFNUIPWTQGPKM-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001028629100 1187758054 /nfs/dbraw/zinc/75/80/54/1187758054.db2.gz GQFNUIPWTQGPKM-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001028629100 1187758059 /nfs/dbraw/zinc/75/80/59/1187758059.db2.gz GQFNUIPWTQGPKM-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001028629100 1187758062 /nfs/dbraw/zinc/75/80/62/1187758062.db2.gz GQFNUIPWTQGPKM-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629384 1187758628 /nfs/dbraw/zinc/75/86/28/1187758628.db2.gz KUHPAFFLOGVTTJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629384 1187758630 /nfs/dbraw/zinc/75/86/30/1187758630.db2.gz KUHPAFFLOGVTTJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629384 1187758636 /nfs/dbraw/zinc/75/86/36/1187758636.db2.gz KUHPAFFLOGVTTJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629384 1187758640 /nfs/dbraw/zinc/75/86/40/1187758640.db2.gz KUHPAFFLOGVTTJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000982929334 1187800595 /nfs/dbraw/zinc/80/05/95/1187800595.db2.gz AVJRNDQYVSIJGP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCCc3c[nH+]cn32)C1=O ZINC001270286181 1188080457 /nfs/dbraw/zinc/08/04/57/1188080457.db2.gz GSGJMNXCCKXPBX-LPHOPBHVSA-N 2 1 359.474 0.916 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000550016771 1188163194 /nfs/dbraw/zinc/16/31/94/1188163194.db2.gz FGUNKYPRHXGOJN-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP COc1ccc([C@@H]2CC[N@@H+](CCO)C[C@@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001087476757 1188248397 /nfs/dbraw/zinc/24/83/97/1188248397.db2.gz CYFZPJMLPLWWIO-WDSOQIARSA-N 2 1 361.486 0.913 20 0 FCADMP COc1ccc([C@@H]2CC[NH+](CCO)C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001087476757 1188248399 /nfs/dbraw/zinc/24/83/99/1188248399.db2.gz CYFZPJMLPLWWIO-WDSOQIARSA-N 2 1 361.486 0.913 20 0 FCADMP COc1ccc([C@@H]2CC[NH+](CCO)C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001087476757 1188248403 /nfs/dbraw/zinc/24/84/03/1188248403.db2.gz CYFZPJMLPLWWIO-WDSOQIARSA-N 2 1 361.486 0.913 20 0 FCADMP COc1coc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC000983707434 1188277875 /nfs/dbraw/zinc/27/78/75/1188277875.db2.gz DULOGGKQUXZMEA-IXYNUQLISA-N 2 1 363.458 0.973 20 0 FCADMP C[C@@H]([NH2+]Cc1ncccn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111262 1188291381 /nfs/dbraw/zinc/29/13/81/1188291381.db2.gz FKNDRYOSAQHKMN-BFYDXBDKSA-N 2 1 361.490 0.912 20 0 FCADMP C[C@@H]([NH2+]Cc1ncccn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111262 1188291384 /nfs/dbraw/zinc/29/13/84/1188291384.db2.gz FKNDRYOSAQHKMN-BFYDXBDKSA-N 2 1 361.490 0.912 20 0 FCADMP C[C@@H]([NH2+]Cc1nccn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111737 1188293310 /nfs/dbraw/zinc/29/33/10/1188293310.db2.gz NMJMVVDDOJJSSC-BFYDXBDKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]([NH2+]Cc1nccn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111737 1188293313 /nfs/dbraw/zinc/29/33/13/1188293313.db2.gz NMJMVVDDOJJSSC-BFYDXBDKSA-N 2 1 363.506 0.856 20 0 FCADMP Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1=O ZINC000983922647 1188398534 /nfs/dbraw/zinc/39/85/34/1188398534.db2.gz IGWZUXRFEUNIBD-KLHDSHLOSA-N 2 1 355.442 0.897 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000984015398 1189373109 /nfs/dbraw/zinc/37/31/09/1189373109.db2.gz QDBFZGWVQCKOEK-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000984015398 1189373113 /nfs/dbraw/zinc/37/31/13/1189373113.db2.gz QDBFZGWVQCKOEK-RRCSTGOVSA-N 2 1 363.462 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001029315513 1189373750 /nfs/dbraw/zinc/37/37/50/1189373750.db2.gz NIJRTHZPYPVJJN-NPJQDHAYSA-N 2 1 362.474 0.197 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001029315513 1189373757 /nfs/dbraw/zinc/37/37/57/1189373757.db2.gz NIJRTHZPYPVJJN-NPJQDHAYSA-N 2 1 362.474 0.197 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001029315513 1189373761 /nfs/dbraw/zinc/37/37/61/1189373761.db2.gz NIJRTHZPYPVJJN-NPJQDHAYSA-N 2 1 362.474 0.197 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001029315514 1189373799 /nfs/dbraw/zinc/37/37/99/1189373799.db2.gz NIJRTHZPYPVJJN-ZVDSWSACSA-N 2 1 362.474 0.197 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001029315514 1189373808 /nfs/dbraw/zinc/37/38/08/1189373808.db2.gz NIJRTHZPYPVJJN-ZVDSWSACSA-N 2 1 362.474 0.197 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001029315514 1189373814 /nfs/dbraw/zinc/37/38/14/1189373814.db2.gz NIJRTHZPYPVJJN-ZVDSWSACSA-N 2 1 362.474 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001029313398 1189374021 /nfs/dbraw/zinc/37/40/21/1189374021.db2.gz YATHGVORBMXKEM-NRSFXHEJSA-N 2 1 358.486 0.901 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccn(C)c(=O)c2)CC[NH+]1C ZINC001029313398 1189374033 /nfs/dbraw/zinc/37/40/33/1189374033.db2.gz YATHGVORBMXKEM-NRSFXHEJSA-N 2 1 358.486 0.901 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccn(C)c(=O)c2)CC[NH+]1C ZINC001029313398 1189374039 /nfs/dbraw/zinc/37/40/39/1189374039.db2.gz YATHGVORBMXKEM-NRSFXHEJSA-N 2 1 358.486 0.901 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087573976 1189610227 /nfs/dbraw/zinc/61/02/27/1189610227.db2.gz MVPBSOQFEDCAMV-OKZBNKHCSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087625983 1189675887 /nfs/dbraw/zinc/67/58/87/1189675887.db2.gz CYCQAHXTPTWPCL-XHSDSOJGSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087625983 1189675902 /nfs/dbraw/zinc/67/59/02/1189675902.db2.gz CYCQAHXTPTWPCL-XHSDSOJGSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087625983 1189675911 /nfs/dbraw/zinc/67/59/11/1189675911.db2.gz CYCQAHXTPTWPCL-XHSDSOJGSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087625983 1189675919 /nfs/dbraw/zinc/67/59/19/1189675919.db2.gz CYCQAHXTPTWPCL-XHSDSOJGSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087625982 1189677208 /nfs/dbraw/zinc/67/72/08/1189677208.db2.gz CYCQAHXTPTWPCL-ARFHVFGLSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087625982 1189677222 /nfs/dbraw/zinc/67/72/22/1189677222.db2.gz CYCQAHXTPTWPCL-ARFHVFGLSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087625982 1189677233 /nfs/dbraw/zinc/67/72/33/1189677233.db2.gz CYCQAHXTPTWPCL-ARFHVFGLSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087625982 1189677248 /nfs/dbraw/zinc/67/72/48/1189677248.db2.gz CYCQAHXTPTWPCL-ARFHVFGLSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001087728124 1189804597 /nfs/dbraw/zinc/80/45/97/1189804597.db2.gz FDCLECRAVKECOF-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087728124 1189804598 /nfs/dbraw/zinc/80/45/98/1189804598.db2.gz FDCLECRAVKECOF-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087728124 1189804599 /nfs/dbraw/zinc/80/45/99/1189804599.db2.gz FDCLECRAVKECOF-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC[N@@H+]1CC(N)=O ZINC001087735309 1189807213 /nfs/dbraw/zinc/80/72/13/1189807213.db2.gz CEKNVGUGVRCEDL-VSZNYVQBSA-N 2 1 358.486 0.786 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC[N@H+]1CC(N)=O ZINC001087735309 1189807214 /nfs/dbraw/zinc/80/72/14/1189807214.db2.gz CEKNVGUGVRCEDL-VSZNYVQBSA-N 2 1 358.486 0.786 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1CC(N)=O ZINC001087735309 1189807216 /nfs/dbraw/zinc/80/72/16/1189807216.db2.gz CEKNVGUGVRCEDL-VSZNYVQBSA-N 2 1 358.486 0.786 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH+]1CC(N)=O ZINC001087735309 1189807219 /nfs/dbraw/zinc/80/72/19/1189807219.db2.gz CEKNVGUGVRCEDL-VSZNYVQBSA-N 2 1 358.486 0.786 20 0 FCADMP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299090 1189825351 /nfs/dbraw/zinc/82/53/51/1189825351.db2.gz QPUSOGRPARVVFX-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299090 1189825352 /nfs/dbraw/zinc/82/53/52/1189825352.db2.gz QPUSOGRPARVVFX-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000895333541 1189836104 /nfs/dbraw/zinc/83/61/04/1189836104.db2.gz HYOXNULHDFVQRU-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000895333542 1189836203 /nfs/dbraw/zinc/83/62/03/1189836203.db2.gz HYOXNULHDFVQRU-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cn(C)nc1C ZINC001087837019 1189845890 /nfs/dbraw/zinc/84/58/90/1189845890.db2.gz QFTUFWHUGGKJJD-RCCFBDPRSA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cn(C)nc1C ZINC001087837019 1189845893 /nfs/dbraw/zinc/84/58/93/1189845893.db2.gz QFTUFWHUGGKJJD-RCCFBDPRSA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cn(C)nc1C ZINC001087837019 1189845897 /nfs/dbraw/zinc/84/58/97/1189845897.db2.gz QFTUFWHUGGKJJD-RCCFBDPRSA-N 2 1 363.506 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cn(C)nc1C ZINC001087837019 1189845898 /nfs/dbraw/zinc/84/58/98/1189845898.db2.gz QFTUFWHUGGKJJD-RCCFBDPRSA-N 2 1 363.506 0.918 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000729539442 1189850325 /nfs/dbraw/zinc/85/03/25/1189850325.db2.gz OVKNTKDMJFPJFD-UHFFFAOYSA-N 2 1 361.486 0.982 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000896469088 1190064658 /nfs/dbraw/zinc/06/46/58/1190064658.db2.gz UWCIXMDFVYEOOW-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029481497 1190106529 /nfs/dbraw/zinc/10/65/29/1190106529.db2.gz TYBFFWQXMDDZHT-QKPAOTATSA-N 2 1 355.446 0.491 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029481497 1190106531 /nfs/dbraw/zinc/10/65/31/1190106531.db2.gz TYBFFWQXMDDZHT-QKPAOTATSA-N 2 1 355.446 0.491 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995115 1190148665 /nfs/dbraw/zinc/14/86/65/1190148665.db2.gz SXKLVVGJQQJEOS-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995115 1190148667 /nfs/dbraw/zinc/14/86/67/1190148667.db2.gz SXKLVVGJQQJEOS-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995115 1190148671 /nfs/dbraw/zinc/14/86/71/1190148671.db2.gz SXKLVVGJQQJEOS-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4cccn4)CC[C@@H]3C2)O1 ZINC001088011699 1190210041 /nfs/dbraw/zinc/21/00/41/1190210041.db2.gz ZESHMFUFKGSELF-ZJPYXAASSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4cccn4)CC[C@@H]3C2)O1 ZINC001088011699 1190210046 /nfs/dbraw/zinc/21/00/46/1190210046.db2.gz ZESHMFUFKGSELF-ZJPYXAASSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)CC[C@@H]3C2)O1 ZINC001088011699 1190210053 /nfs/dbraw/zinc/21/00/53/1190210053.db2.gz ZESHMFUFKGSELF-ZJPYXAASSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)CC[C@@H]3C2)O1 ZINC001088011699 1190210056 /nfs/dbraw/zinc/21/00/56/1190210056.db2.gz ZESHMFUFKGSELF-ZJPYXAASSA-N 2 1 361.490 0.383 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037409 1190291533 /nfs/dbraw/zinc/29/15/33/1190291533.db2.gz LFFBHCXALPLNOD-KFWWJZLASA-N 2 1 368.441 0.535 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001088043087 1190303147 /nfs/dbraw/zinc/30/31/47/1190303147.db2.gz XTWLEXXFLWYWIZ-SJORKVTESA-N 2 1 356.474 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001088043087 1190303155 /nfs/dbraw/zinc/30/31/55/1190303155.db2.gz XTWLEXXFLWYWIZ-SJORKVTESA-N 2 1 356.474 0.948 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064143 1190340313 /nfs/dbraw/zinc/34/03/13/1190340313.db2.gz OGFOFDWQEONOTL-CVEARBPZSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064143 1190340319 /nfs/dbraw/zinc/34/03/19/1190340319.db2.gz OGFOFDWQEONOTL-CVEARBPZSA-N 2 1 360.506 0.970 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(Cc4cnon4)C[C@H]3C2)C1 ZINC001088080772 1190451062 /nfs/dbraw/zinc/45/10/62/1190451062.db2.gz MHPKFAOQIUKQFS-VYDXJSESSA-N 2 1 363.462 0.459 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(Cc4cnon4)C[C@H]3C2)C1 ZINC001088080772 1190451069 /nfs/dbraw/zinc/45/10/69/1190451069.db2.gz MHPKFAOQIUKQFS-VYDXJSESSA-N 2 1 363.462 0.459 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4nnnn4C)C[C@H]3C2)CC[N@H+]1C ZINC001088081918 1190467655 /nfs/dbraw/zinc/46/76/55/1190467655.db2.gz KSFBWHALRXXDCZ-JONQDZQNSA-N 2 1 361.494 0.221 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105977 1190591328 /nfs/dbraw/zinc/59/13/28/1190591328.db2.gz JWWOVWQFLJSKEU-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105977 1190591334 /nfs/dbraw/zinc/59/13/34/1190591334.db2.gz JWWOVWQFLJSKEU-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105977 1190591335 /nfs/dbraw/zinc/59/13/35/1190591335.db2.gz JWWOVWQFLJSKEU-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107327 1190595391 /nfs/dbraw/zinc/59/53/91/1190595391.db2.gz RLJAHAYUSYSASP-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107327 1190595398 /nfs/dbraw/zinc/59/53/98/1190595398.db2.gz RLJAHAYUSYSASP-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107327 1190595410 /nfs/dbraw/zinc/59/54/10/1190595410.db2.gz RLJAHAYUSYSASP-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136053 1190642113 /nfs/dbraw/zinc/64/21/13/1190642113.db2.gz SSFJLLCPHDIXQD-JZXOWHBKSA-N 2 1 363.506 0.874 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCn3cncn3)C2)O1 ZINC001088334137 1190749974 /nfs/dbraw/zinc/74/99/74/1190749974.db2.gz APWHFPMVPXOLPK-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCn3cncn3)C2)O1 ZINC001088334137 1190749976 /nfs/dbraw/zinc/74/99/76/1190749976.db2.gz APWHFPMVPXOLPK-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP Cn1cnnc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001276756872 1224112751 /nfs/dbraw/zinc/11/27/51/1224112751.db2.gz HENFVLJWPYVDPT-IBGZPJMESA-N 2 1 354.458 0.867 20 0 FCADMP Cn1cnnc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001276756872 1224112752 /nfs/dbraw/zinc/11/27/52/1224112752.db2.gz HENFVLJWPYVDPT-IBGZPJMESA-N 2 1 354.458 0.867 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986129578 1190900620 /nfs/dbraw/zinc/90/06/20/1190900620.db2.gz BHXCONXUQSACSL-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000986132742 1190902152 /nfs/dbraw/zinc/90/21/52/1190902152.db2.gz CDKNTZHBXVQYCM-SJORKVTESA-N 2 1 371.485 0.594 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281920 1190943732 /nfs/dbraw/zinc/94/37/32/1190943732.db2.gz DSQKAYCYKLABHY-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281920 1190943733 /nfs/dbraw/zinc/94/37/33/1190943733.db2.gz DSQKAYCYKLABHY-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281920 1190943735 /nfs/dbraw/zinc/94/37/35/1190943735.db2.gz DSQKAYCYKLABHY-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001272022110 1190958577 /nfs/dbraw/zinc/95/85/77/1190958577.db2.gz MPPUROYNNWKEAT-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001272022110 1190958588 /nfs/dbraw/zinc/95/85/88/1190958588.db2.gz MPPUROYNNWKEAT-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495076 1191013213 /nfs/dbraw/zinc/01/32/13/1191013213.db2.gz ZIPBHWFDYQIYTC-SNPRPXQTSA-N 2 1 358.446 0.196 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CN(C)Cc3ncnn3C)CC2)O1 ZINC001029974065 1191057955 /nfs/dbraw/zinc/05/79/55/1191057955.db2.gz XMKSPAQAKAZABQ-GDBMZVCRSA-N 2 1 364.494 0.205 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075883142 1191064817 /nfs/dbraw/zinc/06/48/17/1191064817.db2.gz VFMTXJLXSDVCHG-HRCADAONSA-N 2 1 355.446 0.585 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075883142 1191064821 /nfs/dbraw/zinc/06/48/21/1191064821.db2.gz VFMTXJLXSDVCHG-HRCADAONSA-N 2 1 355.446 0.585 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075883103 1191064948 /nfs/dbraw/zinc/06/49/48/1191064948.db2.gz UDQAPAHQJAGXFY-GVDBMIGSSA-N 2 1 371.485 0.916 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075883103 1191064951 /nfs/dbraw/zinc/06/49/51/1191064951.db2.gz UDQAPAHQJAGXFY-GVDBMIGSSA-N 2 1 371.485 0.916 20 0 FCADMP Cc1cncn1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988146643 1191153286 /nfs/dbraw/zinc/15/32/86/1191153286.db2.gz OSMXDTRPALBZLG-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988146643 1191153289 /nfs/dbraw/zinc/15/32/89/1191153289.db2.gz OSMXDTRPALBZLG-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988146643 1191153291 /nfs/dbraw/zinc/15/32/91/1191153291.db2.gz OSMXDTRPALBZLG-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988190953 1191157899 /nfs/dbraw/zinc/15/78/99/1191157899.db2.gz RIWCZZSDGCSECX-OLMNPRSZSA-N 2 1 362.518 0.918 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361880 1191193613 /nfs/dbraw/zinc/19/36/13/1191193613.db2.gz FNPYLYPIJIATTL-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361880 1191193614 /nfs/dbraw/zinc/19/36/14/1191193614.db2.gz FNPYLYPIJIATTL-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361880 1191193617 /nfs/dbraw/zinc/19/36/17/1191193617.db2.gz FNPYLYPIJIATTL-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)C1 ZINC000988361880 1191193621 /nfs/dbraw/zinc/19/36/21/1191193621.db2.gz FNPYLYPIJIATTL-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088568587 1191206698 /nfs/dbraw/zinc/20/66/98/1191206698.db2.gz NUEGPVDKQRIZIQ-BMFZPTHFSA-N 2 1 362.474 0.056 20 0 FCADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574859 1191214399 /nfs/dbraw/zinc/21/43/99/1191214399.db2.gz VEYVCUFZDSLGTB-CVEARBPZSA-N 2 1 371.489 0.936 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574859 1191214400 /nfs/dbraw/zinc/21/44/00/1191214400.db2.gz VEYVCUFZDSLGTB-CVEARBPZSA-N 2 1 371.489 0.936 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218208535 1224147343 /nfs/dbraw/zinc/14/73/43/1224147343.db2.gz ZQGFPQHGUUMEFJ-ZWKOTPCHSA-N 2 1 362.474 0.856 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001218365751 1224156679 /nfs/dbraw/zinc/15/66/79/1224156679.db2.gz GBSNQRXIUZGZGD-JTQLQIEISA-N 2 1 361.402 0.351 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001691621712 1193807649 /nfs/dbraw/zinc/80/76/49/1193807649.db2.gz ZDHXMJFPWCJJJE-UONOGXRCSA-N 2 1 364.494 0.852 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466258 1193819316 /nfs/dbraw/zinc/81/93/16/1193819316.db2.gz MZIFCTTWAJPJJI-OTWHNJEPSA-N 2 1 365.518 0.696 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000550945722 1193821964 /nfs/dbraw/zinc/82/19/64/1193821964.db2.gz BSTDQIGEHIZRSB-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000551048543 1193829771 /nfs/dbraw/zinc/82/97/71/1193829771.db2.gz FSSXOPOIXMRSRM-QGZVFWFLSA-N 2 1 373.501 0.887 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000551048543 1193829772 /nfs/dbraw/zinc/82/97/72/1193829772.db2.gz FSSXOPOIXMRSRM-QGZVFWFLSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1ccnn1C ZINC001088757207 1193891872 /nfs/dbraw/zinc/89/18/72/1193891872.db2.gz NKAVUIWOEXFWDD-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1ccnn1C ZINC001088757207 1193891875 /nfs/dbraw/zinc/89/18/75/1193891875.db2.gz NKAVUIWOEXFWDD-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ccnn1C ZINC001088757207 1193891876 /nfs/dbraw/zinc/89/18/76/1193891876.db2.gz NKAVUIWOEXFWDD-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ccnn1C ZINC001088757207 1193891877 /nfs/dbraw/zinc/89/18/77/1193891877.db2.gz NKAVUIWOEXFWDD-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052610 1193900008 /nfs/dbraw/zinc/90/00/08/1193900008.db2.gz HGGHJXHUFCUBFL-SOLBZPMBSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552470667 1193932603 /nfs/dbraw/zinc/93/26/03/1193932603.db2.gz BLUPHGBJFFIWLP-MRXNPFEDSA-N 2 1 366.506 0.345 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552471982 1193932814 /nfs/dbraw/zinc/93/28/14/1193932814.db2.gz ZJJITUWNZJLTIU-CQSZACIVSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471643 1193933137 /nfs/dbraw/zinc/93/31/37/1193933137.db2.gz RWPHLBXUDBCAQP-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471643 1193933139 /nfs/dbraw/zinc/93/31/39/1193933139.db2.gz RWPHLBXUDBCAQP-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000552471643 1193933140 /nfs/dbraw/zinc/93/31/40/1193933140.db2.gz RWPHLBXUDBCAQP-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000552471643 1193933142 /nfs/dbraw/zinc/93/31/42/1193933142.db2.gz RWPHLBXUDBCAQP-CRAIPNDOSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000552540073 1193938098 /nfs/dbraw/zinc/93/80/98/1193938098.db2.gz LMSOPAIHIOENFA-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552544885 1193938470 /nfs/dbraw/zinc/93/84/70/1193938470.db2.gz DZJSYNFWOSEVKL-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075994776 1193950699 /nfs/dbraw/zinc/95/06/99/1193950699.db2.gz HIJPONQXYNCQFE-DOTOQJQBSA-N 2 1 368.441 0.506 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000552882070 1193957766 /nfs/dbraw/zinc/95/77/66/1193957766.db2.gz CFJHMQAWXVBWGF-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]21 ZINC001218600504 1224180125 /nfs/dbraw/zinc/18/01/25/1224180125.db2.gz LCYKZDIFIBGGCG-IXDOHACOSA-N 2 1 364.490 0.003 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@@H]21 ZINC001218600936 1224180414 /nfs/dbraw/zinc/18/04/14/1224180414.db2.gz UEPHBOCMBDXXAQ-DLBZAZTESA-N 2 1 364.494 0.312 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553094502 1193971597 /nfs/dbraw/zinc/97/15/97/1193971597.db2.gz DVHWQAUKDSEUNB-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188596 1194084720 /nfs/dbraw/zinc/08/47/20/1194084720.db2.gz ITHGTTBANBYRAT-YLJYHZDGSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088818013 1194123234 /nfs/dbraw/zinc/12/32/34/1194123234.db2.gz RTXUQHVNRXJNGT-FZKCQIBNSA-N 2 1 364.490 0.445 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088818013 1194123237 /nfs/dbraw/zinc/12/32/37/1194123237.db2.gz RTXUQHVNRXJNGT-FZKCQIBNSA-N 2 1 364.490 0.445 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088818013 1194123240 /nfs/dbraw/zinc/12/32/40/1194123240.db2.gz RTXUQHVNRXJNGT-FZKCQIBNSA-N 2 1 364.490 0.445 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083522970 1194144150 /nfs/dbraw/zinc/14/41/50/1194144150.db2.gz GFGTVILLFWBFHM-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083522970 1194144156 /nfs/dbraw/zinc/14/41/56/1194144156.db2.gz GFGTVILLFWBFHM-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001083522970 1194144159 /nfs/dbraw/zinc/14/41/59/1194144159.db2.gz GFGTVILLFWBFHM-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC001076070473 1194292466 /nfs/dbraw/zinc/29/24/66/1194292466.db2.gz KYFWCKRZZPBIGP-VZLAHBCRSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC001076070473 1194292470 /nfs/dbraw/zinc/29/24/70/1194292470.db2.gz KYFWCKRZZPBIGP-VZLAHBCRSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC001076070473 1194292475 /nfs/dbraw/zinc/29/24/75/1194292475.db2.gz KYFWCKRZZPBIGP-VZLAHBCRSA-N 2 1 368.481 0.978 20 0 FCADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076097718 1194305840 /nfs/dbraw/zinc/30/58/40/1194305840.db2.gz XFMWNMQBENEUQO-CGTJXYLNSA-N 2 1 365.437 0.907 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076105317 1194308101 /nfs/dbraw/zinc/30/81/01/1194308101.db2.gz BJDVTKKHHFJCAB-DLBZAZTESA-N 2 1 359.474 0.818 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076105317 1194308104 /nfs/dbraw/zinc/30/81/04/1194308104.db2.gz BJDVTKKHHFJCAB-DLBZAZTESA-N 2 1 359.474 0.818 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001076177090 1194339199 /nfs/dbraw/zinc/33/91/99/1194339199.db2.gz KFNCTSQOMCITRF-LUKYLMHMSA-N 2 1 363.506 0.275 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001076241681 1194363372 /nfs/dbraw/zinc/36/33/72/1194363372.db2.gz XSJCJVWOOSDRGB-FHLIZLRMSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001076241681 1194363378 /nfs/dbraw/zinc/36/33/78/1194363378.db2.gz XSJCJVWOOSDRGB-FHLIZLRMSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC[C@H]4C)[C@@H]3C2)n1 ZINC001076241681 1194363380 /nfs/dbraw/zinc/36/33/80/1194363380.db2.gz XSJCJVWOOSDRGB-FHLIZLRMSA-N 2 1 360.506 0.912 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247032 1194366291 /nfs/dbraw/zinc/36/62/91/1194366291.db2.gz VZLQVFOWGAAJTI-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247032 1194366294 /nfs/dbraw/zinc/36/62/94/1194366294.db2.gz VZLQVFOWGAAJTI-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247032 1194366297 /nfs/dbraw/zinc/36/62/97/1194366297.db2.gz VZLQVFOWGAAJTI-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242826 1194370146 /nfs/dbraw/zinc/37/01/46/1194370146.db2.gz SWAVWFDPZHNLJZ-BPQIPLTHSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242826 1194370150 /nfs/dbraw/zinc/37/01/50/1194370150.db2.gz SWAVWFDPZHNLJZ-BPQIPLTHSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242826 1194370154 /nfs/dbraw/zinc/37/01/54/1194370154.db2.gz SWAVWFDPZHNLJZ-BPQIPLTHSA-N 2 1 358.486 0.760 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243640 1194371309 /nfs/dbraw/zinc/37/13/09/1194371309.db2.gz AYSLKHDKDGSYNS-KHYOSLBOSA-N 2 1 368.497 0.820 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243640 1194371312 /nfs/dbraw/zinc/37/13/12/1194371312.db2.gz AYSLKHDKDGSYNS-KHYOSLBOSA-N 2 1 368.497 0.820 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243640 1194371314 /nfs/dbraw/zinc/37/13/14/1194371314.db2.gz AYSLKHDKDGSYNS-KHYOSLBOSA-N 2 1 368.497 0.820 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076243640 1194371317 /nfs/dbraw/zinc/37/13/17/1194371317.db2.gz AYSLKHDKDGSYNS-KHYOSLBOSA-N 2 1 368.497 0.820 20 0 FCADMP CC[C@H](NC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C(N)=O ZINC001276794808 1224214578 /nfs/dbraw/zinc/21/45/78/1224214578.db2.gz SPKBVFXWMOSBKK-KFWWJZLASA-N 2 1 368.522 0.218 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447272 1194501955 /nfs/dbraw/zinc/50/19/55/1194501955.db2.gz ZVAFJUZFNFMCJO-JCGIZDLHSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447272 1194501960 /nfs/dbraw/zinc/50/19/60/1194501960.db2.gz ZVAFJUZFNFMCJO-JCGIZDLHSA-N 2 1 362.518 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218797737 1224224686 /nfs/dbraw/zinc/22/46/86/1224224686.db2.gz VRSBTZQKSLKBQZ-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218797737 1224224697 /nfs/dbraw/zinc/22/46/97/1224224697.db2.gz VRSBTZQKSLKBQZ-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076605807 1194593473 /nfs/dbraw/zinc/59/34/73/1194593473.db2.gz ULIGJMAFMIQZEP-HRCADAONSA-N 2 1 362.474 0.200 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218881074 1224245714 /nfs/dbraw/zinc/24/57/14/1224245714.db2.gz PXALZLLCGFNVHC-FGTMMUONSA-N 2 1 369.506 0.026 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001076812620 1195034780 /nfs/dbraw/zinc/03/47/80/1195034780.db2.gz NRPSJZBIDDXEOJ-FGTMMUONSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076812620 1195034784 /nfs/dbraw/zinc/03/47/84/1195034784.db2.gz NRPSJZBIDDXEOJ-FGTMMUONSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076812620 1195034791 /nfs/dbraw/zinc/03/47/91/1195034791.db2.gz NRPSJZBIDDXEOJ-FGTMMUONSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076812620 1195034795 /nfs/dbraw/zinc/03/47/95/1195034795.db2.gz NRPSJZBIDDXEOJ-FGTMMUONSA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007337 1195140950 /nfs/dbraw/zinc/14/09/50/1195140950.db2.gz JAMAKMWNEXIAPZ-IPMKNSEASA-N 2 1 359.470 0.698 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007337 1195140953 /nfs/dbraw/zinc/14/09/53/1195140953.db2.gz JAMAKMWNEXIAPZ-IPMKNSEASA-N 2 1 359.470 0.698 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007544 1195142495 /nfs/dbraw/zinc/14/24/95/1195142495.db2.gz RESOLYGBFVLUIV-VAMGGRTRSA-N 2 1 371.481 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007544 1195142499 /nfs/dbraw/zinc/14/24/99/1195142499.db2.gz RESOLYGBFVLUIV-VAMGGRTRSA-N 2 1 371.481 0.720 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@H]2O)CC[N@@H+]1C ZINC001077028058 1195157662 /nfs/dbraw/zinc/15/76/62/1195157662.db2.gz XASFITHOVQXCNC-BSDSXHPESA-N 2 1 363.506 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@H]2O)CC[N@H+]1C ZINC001077028058 1195157664 /nfs/dbraw/zinc/15/76/64/1195157664.db2.gz XASFITHOVQXCNC-BSDSXHPESA-N 2 1 363.506 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2O)CC[NH+]1C ZINC001077028058 1195157667 /nfs/dbraw/zinc/15/76/67/1195157667.db2.gz XASFITHOVQXCNC-BSDSXHPESA-N 2 1 363.506 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2O)CC[NH+]1C ZINC001077028058 1195157671 /nfs/dbraw/zinc/15/76/71/1195157671.db2.gz XASFITHOVQXCNC-BSDSXHPESA-N 2 1 363.506 0.392 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091116 1195206967 /nfs/dbraw/zinc/20/69/67/1195206967.db2.gz MQILEBRVWMJIII-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091116 1195206972 /nfs/dbraw/zinc/20/69/72/1195206972.db2.gz MQILEBRVWMJIII-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091116 1195206978 /nfs/dbraw/zinc/20/69/78/1195206978.db2.gz MQILEBRVWMJIII-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091116 1195206983 /nfs/dbraw/zinc/20/69/83/1195206983.db2.gz MQILEBRVWMJIII-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)cn1 ZINC001083563312 1195220578 /nfs/dbraw/zinc/22/05/78/1195220578.db2.gz JCUOFWDTGSCPHR-OAGGEKHMSA-N 2 1 364.490 0.903 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C[C@H]3CC(C)(C)CO3)C[C@@H]2O)cn1 ZINC001083563312 1195220585 /nfs/dbraw/zinc/22/05/85/1195220585.db2.gz JCUOFWDTGSCPHR-OAGGEKHMSA-N 2 1 364.490 0.903 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077131956 1195248415 /nfs/dbraw/zinc/24/84/15/1195248415.db2.gz NHOLQPAVKPQESO-GVDBMIGSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077131956 1195248420 /nfs/dbraw/zinc/24/84/20/1195248420.db2.gz NHOLQPAVKPQESO-GVDBMIGSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077131956 1195248425 /nfs/dbraw/zinc/24/84/25/1195248425.db2.gz NHOLQPAVKPQESO-GVDBMIGSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077131956 1195248430 /nfs/dbraw/zinc/24/84/30/1195248430.db2.gz NHOLQPAVKPQESO-GVDBMIGSSA-N 2 1 366.506 0.033 20 0 FCADMP Cc1cccc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566298 1195297623 /nfs/dbraw/zinc/29/76/23/1195297623.db2.gz CGHGGHSNQGXDEP-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566298 1195297627 /nfs/dbraw/zinc/29/76/27/1195297627.db2.gz CGHGGHSNQGXDEP-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566298 1195297634 /nfs/dbraw/zinc/29/76/34/1195297634.db2.gz CGHGGHSNQGXDEP-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566298 1195297642 /nfs/dbraw/zinc/29/76/42/1195297642.db2.gz CGHGGHSNQGXDEP-OQIJWPOYSA-N 2 1 361.486 0.684 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077233272 1195341791 /nfs/dbraw/zinc/34/17/91/1195341791.db2.gz SBQVCUYCCHRASV-IAGOWNOFSA-N 2 1 371.441 0.350 20 0 FCADMP O=C(N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077233272 1195341797 /nfs/dbraw/zinc/34/17/97/1195341797.db2.gz SBQVCUYCCHRASV-IAGOWNOFSA-N 2 1 371.441 0.350 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cc2c[nH]ccc-2n1 ZINC001077232946 1195342125 /nfs/dbraw/zinc/34/21/25/1195342125.db2.gz GIAUPFUSACHZDA-CSMYWGQOSA-N 2 1 371.441 0.254 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)cn1 ZINC001077232776 1195342185 /nfs/dbraw/zinc/34/21/85/1195342185.db2.gz BWZGTCARLFTTKG-QZTJIDSGSA-N 2 1 368.441 0.797 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C2)cn1 ZINC001077232776 1195342188 /nfs/dbraw/zinc/34/21/88/1195342188.db2.gz BWZGTCARLFTTKG-QZTJIDSGSA-N 2 1 368.441 0.797 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276102 1195376155 /nfs/dbraw/zinc/37/61/55/1195376155.db2.gz LVPKBACDJRSDKE-BMGDILEWSA-N 2 1 358.442 0.844 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276267 1195378017 /nfs/dbraw/zinc/37/80/17/1195378017.db2.gz VJZPGDNRPBUIOI-QZTJIDSGSA-N 2 1 358.442 0.987 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276267 1195378021 /nfs/dbraw/zinc/37/80/21/1195378021.db2.gz VJZPGDNRPBUIOI-QZTJIDSGSA-N 2 1 358.442 0.987 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366543 1195465801 /nfs/dbraw/zinc/46/58/01/1195465801.db2.gz NNWSDEUZAOURJR-KBRIMQKVSA-N 2 1 357.414 0.079 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CCC1 ZINC001077395977 1195492919 /nfs/dbraw/zinc/49/29/19/1195492919.db2.gz ICIFDBTYKYHTKP-KZNAEPCWSA-N 2 1 358.442 0.924 20 0 FCADMP CCCC[C@H](C(N)=O)N1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004271 1224285575 /nfs/dbraw/zinc/28/55/75/1224285575.db2.gz DJVJJNOWIVNBNN-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004271 1224285582 /nfs/dbraw/zinc/28/55/82/1224285582.db2.gz DJVJJNOWIVNBNN-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004271 1224285590 /nfs/dbraw/zinc/28/55/90/1224285590.db2.gz DJVJJNOWIVNBNN-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004271 1224285597 /nfs/dbraw/zinc/28/55/97/1224285597.db2.gz DJVJJNOWIVNBNN-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004271 1224285600 /nfs/dbraw/zinc/28/56/00/1224285600.db2.gz DJVJJNOWIVNBNN-IXDOHACOSA-N 2 1 368.522 0.674 20 0 FCADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905368587 1195584169 /nfs/dbraw/zinc/58/41/69/1195584169.db2.gz UCBILWBGEQIYNO-UFYCRDLUSA-N 2 1 364.486 0.635 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2O)ccc2cncn21 ZINC001083591314 1195588925 /nfs/dbraw/zinc/58/89/25/1195588925.db2.gz XFRABGNTLBERCK-SJORKVTESA-N 2 1 354.414 0.351 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591408 1195590612 /nfs/dbraw/zinc/59/06/12/1195590612.db2.gz BDHOJAWRDMLYFI-SJORKVTESA-N 2 1 354.414 0.314 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591408 1195590613 /nfs/dbraw/zinc/59/06/13/1195590613.db2.gz BDHOJAWRDMLYFI-SJORKVTESA-N 2 1 354.414 0.314 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000906127928 1195613920 /nfs/dbraw/zinc/61/39/20/1195613920.db2.gz OJSDGPKZYMJLHX-UHFFFAOYSA-N 2 1 359.518 0.866 20 0 FCADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221900 1195617397 /nfs/dbraw/zinc/61/73/97/1195617397.db2.gz XHLBEBHTUTZNGV-IRXDYDNUSA-N 2 1 361.490 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607095 1195682832 /nfs/dbraw/zinc/68/28/32/1195682832.db2.gz FRXCLTIKHCQIQB-XKQJLSEDSA-N 2 1 371.441 0.026 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000907288933 1195687542 /nfs/dbraw/zinc/68/75/42/1195687542.db2.gz YMTCKIZCMRNLQZ-HXUWFJFHSA-N 2 1 374.529 0.753 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000907288933 1195687544 /nfs/dbraw/zinc/68/75/44/1195687544.db2.gz YMTCKIZCMRNLQZ-HXUWFJFHSA-N 2 1 374.529 0.753 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000907288933 1195687547 /nfs/dbraw/zinc/68/75/47/1195687547.db2.gz YMTCKIZCMRNLQZ-HXUWFJFHSA-N 2 1 374.529 0.753 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907350515 1195690094 /nfs/dbraw/zinc/69/00/94/1195690094.db2.gz FNCNSLRVAKMTKR-RRFJBIMHSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907350515 1195690100 /nfs/dbraw/zinc/69/01/00/1195690100.db2.gz FNCNSLRVAKMTKR-RRFJBIMHSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907350515 1195690103 /nfs/dbraw/zinc/69/01/03/1195690103.db2.gz FNCNSLRVAKMTKR-RRFJBIMHSA-N 2 1 368.522 0.325 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000907804482 1195710373 /nfs/dbraw/zinc/71/03/73/1195710373.db2.gz GWPSTIYHMIQDAQ-JWXAEQQXSA-N 2 1 374.529 0.443 20 0 FCADMP O=C(N[C@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000991123739 1195728477 /nfs/dbraw/zinc/72/84/77/1195728477.db2.gz ZJZLQUUJFAFKJX-DEICHXMPSA-N 2 1 355.446 0.918 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1=O ZINC000908240049 1195735494 /nfs/dbraw/zinc/73/54/94/1195735494.db2.gz VXPCLRQZHHNLSL-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000910829192 1195850568 /nfs/dbraw/zinc/85/05/68/1195850568.db2.gz OLQWIWPLNGTXBF-NVXWUHKLSA-N 2 1 359.474 0.671 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000910832427 1195851566 /nfs/dbraw/zinc/85/15/66/1195851566.db2.gz QMKWBYIQJUYZIE-IRXDYDNUSA-N 2 1 373.501 0.919 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911054276 1195879317 /nfs/dbraw/zinc/87/93/17/1195879317.db2.gz UAFQDOGZDOKFGW-OWCLPIDISA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911054276 1195879320 /nfs/dbraw/zinc/87/93/20/1195879320.db2.gz UAFQDOGZDOKFGW-OWCLPIDISA-N 2 1 368.522 0.639 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[C@H](C)C1 ZINC000911032617 1195881167 /nfs/dbraw/zinc/88/11/67/1195881167.db2.gz FSRFTUSZWHRVDV-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000911069460 1195886119 /nfs/dbraw/zinc/88/61/19/1195886119.db2.gz UIHRIWYZXMTJGI-WBVHZDCISA-N 2 1 368.522 0.437 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000911069458 1195886126 /nfs/dbraw/zinc/88/61/26/1195886126.db2.gz UIHRIWYZXMTJGI-NVXWUHKLSA-N 2 1 368.522 0.437 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911267930 1195928930 /nfs/dbraw/zinc/92/89/30/1195928930.db2.gz AWFCFVLBSXWOHF-BBWFWOEESA-N 2 1 374.485 0.991 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)cc1 ZINC000911358569 1195941628 /nfs/dbraw/zinc/94/16/28/1195941628.db2.gz OXBBQQWVTKTSAH-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219052117 1224321393 /nfs/dbraw/zinc/32/13/93/1224321393.db2.gz GPVCYULHRRQEII-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219065512 1224332020 /nfs/dbraw/zinc/33/20/20/1224332020.db2.gz HBGUDUYRBPUTPV-FGTMMUONSA-N 2 1 369.506 0.171 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360972 1196321932 /nfs/dbraw/zinc/32/19/32/1196321932.db2.gz OLTLRJXSVGSKGW-KONPQCLYSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360972 1196321933 /nfs/dbraw/zinc/32/19/33/1196321933.db2.gz OLTLRJXSVGSKGW-KONPQCLYSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)O1 ZINC000991360972 1196321937 /nfs/dbraw/zinc/32/19/37/1196321937.db2.gz OLTLRJXSVGSKGW-KONPQCLYSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)O1 ZINC000991360972 1196321940 /nfs/dbraw/zinc/32/19/40/1196321940.db2.gz OLTLRJXSVGSKGW-KONPQCLYSA-N 2 1 362.478 0.110 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654946 1196350919 /nfs/dbraw/zinc/35/09/19/1196350919.db2.gz NMGIWSZROYZVOA-OFCZDVHMSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654946 1196350923 /nfs/dbraw/zinc/35/09/23/1196350923.db2.gz NMGIWSZROYZVOA-OFCZDVHMSA-N 2 1 371.428 0.056 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654946 1196350928 /nfs/dbraw/zinc/35/09/28/1196350928.db2.gz NMGIWSZROYZVOA-OFCZDVHMSA-N 2 1 371.428 0.056 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083669083 1196392047 /nfs/dbraw/zinc/39/20/47/1196392047.db2.gz TVAYQXCDBOWKMD-MOPGFXCFSA-N 2 1 371.485 0.462 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083669083 1196392050 /nfs/dbraw/zinc/39/20/50/1196392050.db2.gz TVAYQXCDBOWKMD-MOPGFXCFSA-N 2 1 371.485 0.462 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592563073 1196569339 /nfs/dbraw/zinc/56/93/39/1196569339.db2.gz UWOJGFXGDZNCCS-ZIAGYGMSSA-N 2 1 363.462 0.429 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105974180 1196761010 /nfs/dbraw/zinc/76/10/10/1196761010.db2.gz PQUAFPDTAHDGBE-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105974180 1196761018 /nfs/dbraw/zinc/76/10/18/1196761018.db2.gz PQUAFPDTAHDGBE-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001105978523 1196762941 /nfs/dbraw/zinc/76/29/41/1196762941.db2.gz IMCVNJYRTNYHQP-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C)C1CC1 ZINC001105978523 1196762951 /nfs/dbraw/zinc/76/29/51/1196762951.db2.gz IMCVNJYRTNYHQP-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(CC(=O)NC3CCOCC3)[C@@H]2C)C1 ZINC001088859836 1196805433 /nfs/dbraw/zinc/80/54/33/1196805433.db2.gz NZSPPVAOTCQCTH-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cnc2cc(C(=O)NC3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)ccn12 ZINC000991847584 1196808651 /nfs/dbraw/zinc/80/86/51/1196808651.db2.gz MIZLXAWOAQBHQX-CZUORRHYSA-N 2 1 355.442 0.924 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001077505235 1197020498 /nfs/dbraw/zinc/02/04/98/1197020498.db2.gz WBULQEQHLRTWPB-HUUCEWRRSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001077505235 1197020502 /nfs/dbraw/zinc/02/05/02/1197020502.db2.gz WBULQEQHLRTWPB-HUUCEWRRSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc2ccccc12 ZINC001272413396 1197067111 /nfs/dbraw/zinc/06/71/11/1197067111.db2.gz CIJZFIDLETZDSO-BFYDXBDKSA-N 2 1 371.485 0.845 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc2ccccc12 ZINC001272413396 1197067115 /nfs/dbraw/zinc/06/71/15/1197067115.db2.gz CIJZFIDLETZDSO-BFYDXBDKSA-N 2 1 371.485 0.845 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)c2ccccc2)CC[N@H+]1C ZINC001272415491 1197067584 /nfs/dbraw/zinc/06/75/84/1197067584.db2.gz YKBDAGXPSKSQTJ-DJIMGWMZSA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)CC[N@H+]1C ZINC000992399326 1197088300 /nfs/dbraw/zinc/08/83/00/1197088300.db2.gz IAEIUAYXHMGMDF-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000992399326 1197088305 /nfs/dbraw/zinc/08/83/05/1197088305.db2.gz IAEIUAYXHMGMDF-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000992399326 1197088309 /nfs/dbraw/zinc/08/83/09/1197088309.db2.gz IAEIUAYXHMGMDF-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001083696337 1197102397 /nfs/dbraw/zinc/10/23/97/1197102397.db2.gz VZHKGEQJGXCTTO-SJORKVTESA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001083696337 1197102401 /nfs/dbraw/zinc/10/24/01/1197102401.db2.gz VZHKGEQJGXCTTO-SJORKVTESA-N 2 1 363.506 0.536 20 0 FCADMP C[C@H](CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949061 1197157385 /nfs/dbraw/zinc/15/73/85/1197157385.db2.gz MIZOOBUZGUNJKD-AHRSYUTCSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@@]2(CNC(=O)C2)C1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949061 1197157397 /nfs/dbraw/zinc/15/73/97/1197157397.db2.gz MIZOOBUZGUNJKD-AHRSYUTCSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@H](CC[NH+]1CCC[C@@]2(CNC(=O)C2)C1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466949061 1197157405 /nfs/dbraw/zinc/15/74/05/1197157405.db2.gz MIZOOBUZGUNJKD-AHRSYUTCSA-N 2 1 362.518 0.969 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000992687477 1197302806 /nfs/dbraw/zinc/30/28/06/1197302806.db2.gz KFZGJFKWMGRYPK-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001219262480 1224407315 /nfs/dbraw/zinc/40/73/15/1224407315.db2.gz WQSRWVFQXPPOAB-AWEZNQCLSA-N 2 1 359.430 0.352 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)CN1CC[NH2+]CC1 ZINC001219260725 1224407348 /nfs/dbraw/zinc/40/73/48/1224407348.db2.gz UGWNHKZHGAWNSP-UHFFFAOYSA-N 2 1 373.457 0.695 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085224781 1197702122 /nfs/dbraw/zinc/70/21/22/1197702122.db2.gz VESHXIWPXFCIHL-BZUAXINKSA-N 2 1 363.510 0.705 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085224781 1197702130 /nfs/dbraw/zinc/70/21/30/1197702130.db2.gz VESHXIWPXFCIHL-BZUAXINKSA-N 2 1 363.510 0.705 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041023 1197723897 /nfs/dbraw/zinc/72/38/97/1197723897.db2.gz QUXTTXRHEIWOMN-RIFZZMRRSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041023 1197723900 /nfs/dbraw/zinc/72/39/00/1197723900.db2.gz QUXTTXRHEIWOMN-RIFZZMRRSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1)C1CCC1 ZINC000993041023 1197723904 /nfs/dbraw/zinc/72/39/04/1197723904.db2.gz QUXTTXRHEIWOMN-RIFZZMRRSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242715 1197739117 /nfs/dbraw/zinc/73/91/17/1197739117.db2.gz DJDQPJMPVWFLPW-BNEJOLLZSA-N 2 1 363.506 0.965 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242715 1197739127 /nfs/dbraw/zinc/73/91/27/1197739127.db2.gz DJDQPJMPVWFLPW-BNEJOLLZSA-N 2 1 363.506 0.965 20 0 FCADMP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246245 1197779939 /nfs/dbraw/zinc/77/99/39/1197779939.db2.gz KDBSYAGQZJHNNK-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085275970 1197783247 /nfs/dbraw/zinc/78/32/47/1197783247.db2.gz JYMDBUNPNFGHBL-IIAWOOMASA-N 2 1 359.474 0.667 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000993077094 1197801911 /nfs/dbraw/zinc/80/19/11/1197801911.db2.gz KFZGJFKWMGRYPK-ABSDTBQOSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001085340284 1197832043 /nfs/dbraw/zinc/83/20/43/1197832043.db2.gz ITOCUAKXGUMPBT-XMTFNYHQSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085394135 1197861971 /nfs/dbraw/zinc/86/19/71/1197861971.db2.gz WLPRBNOIILWCJV-NUEKZKHPSA-N 2 1 361.494 0.867 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085394135 1197861973 /nfs/dbraw/zinc/86/19/73/1197861973.db2.gz WLPRBNOIILWCJV-NUEKZKHPSA-N 2 1 361.494 0.867 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993155318 1197894890 /nfs/dbraw/zinc/89/48/90/1197894890.db2.gz JNVYJBJMLHVIMJ-MDZRGWNJSA-N 2 1 360.502 0.483 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001085429555 1197896223 /nfs/dbraw/zinc/89/62/23/1197896223.db2.gz WUTNXOQCHFKFSZ-KURKYZTESA-N 2 1 363.506 0.966 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001085429555 1197896230 /nfs/dbraw/zinc/89/62/30/1197896230.db2.gz WUTNXOQCHFKFSZ-KURKYZTESA-N 2 1 363.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)CC[N@H+]1C ZINC000993158758 1197904084 /nfs/dbraw/zinc/90/40/84/1197904084.db2.gz XYXOOSLYCUKWDP-VIPLHTEESA-N 2 1 374.529 0.729 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106431648 1197921657 /nfs/dbraw/zinc/92/16/57/1197921657.db2.gz IHZKDLYMJUPOAA-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453556 1197934100 /nfs/dbraw/zinc/93/41/00/1197934100.db2.gz OADXQULTRSLSTL-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@@H]1O)CC2 ZINC001083731529 1198002136 /nfs/dbraw/zinc/00/21/36/1198002136.db2.gz CTPKBZGWNIRKMO-BMFZPTHFSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@@H]1O)CC2 ZINC001083731529 1198002145 /nfs/dbraw/zinc/00/21/45/1198002145.db2.gz CTPKBZGWNIRKMO-BMFZPTHFSA-N 2 1 368.428 0.961 20 0 FCADMP CC(C)N1CC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001273383955 1198075806 /nfs/dbraw/zinc/07/58/06/1198075806.db2.gz DQAWBBMAXGEUJE-QFBILLFUSA-N 2 1 359.474 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001086090681 1198156495 /nfs/dbraw/zinc/15/64/95/1198156495.db2.gz MEYRNKPQFUYSAR-DMRKSPOLSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCc4ncnn43)C2)CC[N@H+]1C ZINC001086091777 1198157975 /nfs/dbraw/zinc/15/79/75/1198157975.db2.gz NJHLKLWBYKVMMB-BPKGMFCQSA-N 2 1 360.506 0.980 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCO[C@H](C)C1 ZINC000745794297 1198945861 /nfs/dbraw/zinc/94/58/61/1198945861.db2.gz YORLYWIAYYPZJO-QZTJIDSGSA-N 2 1 369.554 0.765 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133749 1199048085 /nfs/dbraw/zinc/04/80/85/1199048085.db2.gz JPRWXELMIDAUER-DMUMMCEESA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169133749 1199048095 /nfs/dbraw/zinc/04/80/95/1199048095.db2.gz JPRWXELMIDAUER-DMUMMCEESA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169133749 1199048107 /nfs/dbraw/zinc/04/81/07/1199048107.db2.gz JPRWXELMIDAUER-DMUMMCEESA-N 2 1 364.534 0.772 20 0 FCADMP NC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726960 1224578955 /nfs/dbraw/zinc/57/89/55/1224578955.db2.gz SNSMCWIJCMNZAZ-QGZVFWFLSA-N 2 1 358.486 0.332 20 0 FCADMP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726960 1224578963 /nfs/dbraw/zinc/57/89/63/1224578963.db2.gz SNSMCWIJCMNZAZ-QGZVFWFLSA-N 3 1 358.486 0.332 20 0 FCADMP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726960 1224578974 /nfs/dbraw/zinc/57/89/74/1224578974.db2.gz SNSMCWIJCMNZAZ-QGZVFWFLSA-N 3 1 358.486 0.332 20 0 FCADMP NC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726959 1224579840 /nfs/dbraw/zinc/57/98/40/1224579840.db2.gz SNSMCWIJCMNZAZ-KRWDZBQOSA-N 2 1 358.486 0.332 20 0 FCADMP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726959 1224579848 /nfs/dbraw/zinc/57/98/48/1224579848.db2.gz SNSMCWIJCMNZAZ-KRWDZBQOSA-N 3 1 358.486 0.332 20 0 FCADMP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)COC1 ZINC001219726959 1224579857 /nfs/dbraw/zinc/57/98/57/1224579857.db2.gz SNSMCWIJCMNZAZ-KRWDZBQOSA-N 3 1 358.486 0.332 20 0 FCADMP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385968 1200109262 /nfs/dbraw/zinc/10/92/62/1200109262.db2.gz ULJKVVLSKGDWGB-WBXGCANISA-N 2 1 364.494 0.554 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CCC1 ZINC001109401900 1200250467 /nfs/dbraw/zinc/25/04/67/1200250467.db2.gz GPEOQQMWNBFWMS-ILXRZTDVSA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CCC1 ZINC001109401900 1200250473 /nfs/dbraw/zinc/25/04/73/1200250473.db2.gz GPEOQQMWNBFWMS-ILXRZTDVSA-N 2 1 362.474 0.341 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219765189 1224601003 /nfs/dbraw/zinc/60/10/03/1224601003.db2.gz WVZGZPUVDZPQRR-GJYPPUQNSA-N 2 1 370.497 0.747 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219765189 1224601007 /nfs/dbraw/zinc/60/10/07/1224601007.db2.gz WVZGZPUVDZPQRR-GJYPPUQNSA-N 2 1 370.497 0.747 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001109469959 1200311758 /nfs/dbraw/zinc/31/17/58/1200311758.db2.gz OPSMLNPYYSJFBS-LTIDMASMSA-N 2 1 357.458 0.518 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001109469959 1200311765 /nfs/dbraw/zinc/31/17/65/1200311765.db2.gz OPSMLNPYYSJFBS-LTIDMASMSA-N 2 1 357.458 0.518 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001109651182 1200444025 /nfs/dbraw/zinc/44/40/25/1200444025.db2.gz NROHABBWSDYHQC-ILXRZTDVSA-N 2 1 362.474 0.199 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668900 1200458521 /nfs/dbraw/zinc/45/85/21/1200458521.db2.gz GMIIXGBASOJQBS-BDXSIMOUSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672737 1200459483 /nfs/dbraw/zinc/45/94/83/1200459483.db2.gz RLTGZUOHBHXLBI-ATGSNQNLSA-N 2 1 365.478 0.036 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672737 1200459485 /nfs/dbraw/zinc/45/94/85/1200459485.db2.gz RLTGZUOHBHXLBI-ATGSNQNLSA-N 2 1 365.478 0.036 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672738 1200460278 /nfs/dbraw/zinc/46/02/78/1200460278.db2.gz RLTGZUOHBHXLBI-RZFFKMDDSA-N 2 1 365.478 0.036 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672738 1200460283 /nfs/dbraw/zinc/46/02/83/1200460283.db2.gz RLTGZUOHBHXLBI-RZFFKMDDSA-N 2 1 365.478 0.036 20 0 FCADMP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793162 1224615934 /nfs/dbraw/zinc/61/59/34/1224615934.db2.gz AVUBTMNAUUOXIY-UZLBHIALSA-N 2 1 364.534 0.868 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843128 1200556453 /nfs/dbraw/zinc/55/64/53/1200556453.db2.gz DBKKFORNJHNRHE-BDXSIMOUSA-N 2 1 369.506 0.218 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843128 1200556457 /nfs/dbraw/zinc/55/64/57/1200556457.db2.gz DBKKFORNJHNRHE-BDXSIMOUSA-N 2 1 369.506 0.218 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847966 1200560431 /nfs/dbraw/zinc/56/04/31/1200560431.db2.gz PIYIALWURGWFIL-SQNIBIBYSA-N 2 1 361.490 0.672 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001219799904 1224619650 /nfs/dbraw/zinc/61/96/50/1224619650.db2.gz BVQWOTQCJZYODD-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O ZINC001219799904 1224619654 /nfs/dbraw/zinc/61/96/54/1224619654.db2.gz BVQWOTQCJZYODD-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CC1 ZINC001219804087 1224623049 /nfs/dbraw/zinc/62/30/49/1224623049.db2.gz MMLVNZLIVQKMJL-IKGGRYGDSA-N 2 1 359.430 0.224 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CC1 ZINC001219804087 1224623054 /nfs/dbraw/zinc/62/30/54/1224623054.db2.gz MMLVNZLIVQKMJL-IKGGRYGDSA-N 2 1 359.430 0.224 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CC1 ZINC001219805569 1224623846 /nfs/dbraw/zinc/62/38/46/1224623846.db2.gz NVLKKXAQSCNMLN-FGTMMUONSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CC1 ZINC001219805569 1224623849 /nfs/dbraw/zinc/62/38/49/1224623849.db2.gz NVLKKXAQSCNMLN-FGTMMUONSA-N 2 1 365.449 0.706 20 0 FCADMP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109980172 1200663323 /nfs/dbraw/zinc/66/33/23/1200663323.db2.gz KXOLQILECCNBBV-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109980172 1200663327 /nfs/dbraw/zinc/66/33/27/1200663327.db2.gz KXOLQILECCNBBV-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980737 1200666383 /nfs/dbraw/zinc/66/63/83/1200666383.db2.gz YQDWVTHBSOGWMR-WCVJEAGWSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980737 1200666389 /nfs/dbraw/zinc/66/63/89/1200666389.db2.gz YQDWVTHBSOGWMR-WCVJEAGWSA-N 2 1 368.522 0.589 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219804566 1224624842 /nfs/dbraw/zinc/62/48/42/1224624842.db2.gz ZUXLJUPRXYYHSG-CEXWTWQISA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219804566 1224624846 /nfs/dbraw/zinc/62/48/46/1224624846.db2.gz ZUXLJUPRXYYHSG-CEXWTWQISA-N 2 1 361.486 0.835 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982399 1200675138 /nfs/dbraw/zinc/67/51/38/1200675138.db2.gz BGXWVWGDQFCTLB-YVSFHVDLSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982399 1200675144 /nfs/dbraw/zinc/67/51/44/1200675144.db2.gz BGXWVWGDQFCTLB-YVSFHVDLSA-N 2 1 362.518 0.964 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650789 1200778845 /nfs/dbraw/zinc/77/88/45/1200778845.db2.gz RTXDUXHFSGZLEW-IAGOWNOFSA-N 2 1 367.490 0.585 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCC[NH+]2CCOCC2)CC1=O ZINC000785650789 1200778851 /nfs/dbraw/zinc/77/88/51/1200778851.db2.gz RTXDUXHFSGZLEW-IAGOWNOFSA-N 2 1 367.490 0.585 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112557337 1200783571 /nfs/dbraw/zinc/78/35/71/1200783571.db2.gz AYADRCUTKTZWGJ-KSSFIOAISA-N 2 1 367.494 0.002 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112563481 1200796102 /nfs/dbraw/zinc/79/61/02/1200796102.db2.gz XDYHMAUVHWLLMP-FTRWYGJKSA-N 2 1 362.518 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112568003 1200801985 /nfs/dbraw/zinc/80/19/85/1200801985.db2.gz RXHJSIOAIMZWLV-VKJFTORMSA-N 2 1 363.510 0.831 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787101744 1200865212 /nfs/dbraw/zinc/86/52/12/1200865212.db2.gz DSFHUSFIMHPBMP-MRXNPFEDSA-N 2 1 363.462 0.067 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787106610 1200866110 /nfs/dbraw/zinc/86/61/10/1200866110.db2.gz KPCAQOSBLBSQIT-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000787125248 1200869243 /nfs/dbraw/zinc/86/92/43/1200869243.db2.gz PGVNZDWOWMSIER-QGZVFWFLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000787123499 1200869550 /nfs/dbraw/zinc/86/95/50/1200869550.db2.gz LJPKQGZJJPXWOH-PBHICJAKSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001219830278 1224642525 /nfs/dbraw/zinc/64/25/25/1224642525.db2.gz UJFGLTTXCWTJHM-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219830278 1224642531 /nfs/dbraw/zinc/64/25/31/1224642531.db2.gz UJFGLTTXCWTJHM-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830278 1224642537 /nfs/dbraw/zinc/64/25/37/1224642537.db2.gz UJFGLTTXCWTJHM-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830278 1224642540 /nfs/dbraw/zinc/64/25/40/1224642540.db2.gz UJFGLTTXCWTJHM-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589201 1201097876 /nfs/dbraw/zinc/09/78/76/1201097876.db2.gz MTZPMXTYPVZOOO-NRSFXHEJSA-N 2 1 358.486 0.657 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589201 1201097881 /nfs/dbraw/zinc/09/78/81/1201097881.db2.gz MTZPMXTYPVZOOO-NRSFXHEJSA-N 2 1 358.486 0.657 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086589201 1201097889 /nfs/dbraw/zinc/09/78/89/1201097889.db2.gz MTZPMXTYPVZOOO-NRSFXHEJSA-N 2 1 358.486 0.657 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589201 1201097894 /nfs/dbraw/zinc/09/78/94/1201097894.db2.gz MTZPMXTYPVZOOO-NRSFXHEJSA-N 2 1 358.486 0.657 20 0 FCADMP C[NH+](C)C[C@](C)(O)CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272988 1201182522 /nfs/dbraw/zinc/18/25/22/1201182522.db2.gz QHXRFMRYRSFSHO-GOSISDBHSA-N 2 1 372.510 0.358 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793902493 1201274296 /nfs/dbraw/zinc/27/42/96/1201274296.db2.gz RFWGNZVEEVEKQN-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793902493 1201274299 /nfs/dbraw/zinc/27/42/99/1201274299.db2.gz RFWGNZVEEVEKQN-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793902493 1201274302 /nfs/dbraw/zinc/27/43/02/1201274302.db2.gz RFWGNZVEEVEKQN-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433475 1201312857 /nfs/dbraw/zinc/31/28/57/1201312857.db2.gz BFXYSPVHFSGQGK-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433475 1201312864 /nfs/dbraw/zinc/31/28/64/1201312864.db2.gz BFXYSPVHFSGQGK-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433475 1201312867 /nfs/dbraw/zinc/31/28/67/1201312867.db2.gz BFXYSPVHFSGQGK-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433475 1201312873 /nfs/dbraw/zinc/31/28/73/1201312873.db2.gz BFXYSPVHFSGQGK-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433539 1201313415 /nfs/dbraw/zinc/31/34/15/1201313415.db2.gz FVMOZQQDDGNRQS-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433638 1201313596 /nfs/dbraw/zinc/31/35/96/1201313596.db2.gz KCBODNABVSFYBN-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433456 1201313949 /nfs/dbraw/zinc/31/39/49/1201313949.db2.gz ASICRWIIDPDQOO-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433456 1201313955 /nfs/dbraw/zinc/31/39/55/1201313955.db2.gz ASICRWIIDPDQOO-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433929 1201315879 /nfs/dbraw/zinc/31/58/79/1201315879.db2.gz ZEGWURFIABNDCX-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433929 1201315881 /nfs/dbraw/zinc/31/58/81/1201315881.db2.gz ZEGWURFIABNDCX-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717699 1201377541 /nfs/dbraw/zinc/37/75/41/1201377541.db2.gz POUCLLWOMZXYFF-FHMLSKBDSA-N 2 1 362.478 0.307 20 0 FCADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717699 1201377546 /nfs/dbraw/zinc/37/75/46/1201377546.db2.gz POUCLLWOMZXYFF-FHMLSKBDSA-N 2 1 362.478 0.307 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011968 1201471143 /nfs/dbraw/zinc/47/11/43/1201471143.db2.gz HCKPFGAXVKKAQU-XHSDSOJGSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012015 1201471220 /nfs/dbraw/zinc/47/12/20/1201471220.db2.gz JKTNDPGIJVMGHL-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040781 1201478200 /nfs/dbraw/zinc/47/82/00/1201478200.db2.gz LIZJLKADFUMSKY-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130034096 1201482332 /nfs/dbraw/zinc/48/23/32/1201482332.db2.gz KCMWXFSHWWHQIV-BMFZPTHFSA-N 2 1 361.450 0.258 20 0 FCADMP COCCOCCOCCOCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001170475266 1201489303 /nfs/dbraw/zinc/48/93/03/1201489303.db2.gz QMMWHAGXXPNLMT-UHFFFAOYSA-N 2 1 368.478 0.599 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130074639 1201495006 /nfs/dbraw/zinc/49/50/06/1201495006.db2.gz CORSZTXALDQFRX-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130079611 1201496329 /nfs/dbraw/zinc/49/63/29/1201496329.db2.gz SFDZQPVFXHECPJ-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130079611 1201496330 /nfs/dbraw/zinc/49/63/30/1201496330.db2.gz SFDZQPVFXHECPJ-SJORKVTESA-N 2 1 357.462 0.557 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122963 1201510974 /nfs/dbraw/zinc/51/09/74/1201510974.db2.gz DWQYECSEYYTYEO-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122951 1201511005 /nfs/dbraw/zinc/51/10/05/1201511005.db2.gz CXEMWRYCIXVTSV-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122964 1201511095 /nfs/dbraw/zinc/51/10/95/1201511095.db2.gz DWQYECSEYYTYEO-ZACQAIPSSA-N 2 1 364.494 0.244 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123179 1201511134 /nfs/dbraw/zinc/51/11/34/1201511134.db2.gz KELOCBNZHAPROB-OIISXLGYSA-N 2 1 362.478 0.140 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130137329 1201515464 /nfs/dbraw/zinc/51/54/64/1201515464.db2.gz UFNIWQJAANBWRX-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(c3ccccc3)C2=O)O1 ZINC001130182411 1201525778 /nfs/dbraw/zinc/52/57/78/1201525778.db2.gz GTHHXJBCZAHJBB-DJIMGWMZSA-N 2 1 360.458 0.217 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(c3ccccc3)C2=O)O1 ZINC001130182411 1201525781 /nfs/dbraw/zinc/52/57/81/1201525781.db2.gz GTHHXJBCZAHJBB-DJIMGWMZSA-N 2 1 360.458 0.217 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCN(c3ccccc3)C2=O)O1 ZINC001130182412 1201525965 /nfs/dbraw/zinc/52/59/65/1201525965.db2.gz GTHHXJBCZAHJBB-HYVNUMGLSA-N 2 1 360.458 0.217 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCN(c3ccccc3)C2=O)O1 ZINC001130182412 1201525970 /nfs/dbraw/zinc/52/59/70/1201525970.db2.gz GTHHXJBCZAHJBB-HYVNUMGLSA-N 2 1 360.458 0.217 20 0 FCADMP CCCCCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184465 1201537338 /nfs/dbraw/zinc/53/73/38/1201537338.db2.gz RKLQLJSCIDGNKQ-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184465 1201537342 /nfs/dbraw/zinc/53/73/42/1201537342.db2.gz RKLQLJSCIDGNKQ-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1cc(C)on1 ZINC001130184631 1201537818 /nfs/dbraw/zinc/53/78/18/1201537818.db2.gz WOWVQYBFYSYVFP-MGPQQGTHSA-N 2 1 367.450 0.125 20 0 FCADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1cc(C)on1 ZINC001130184631 1201537822 /nfs/dbraw/zinc/53/78/22/1201537822.db2.gz WOWVQYBFYSYVFP-MGPQQGTHSA-N 2 1 367.450 0.125 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC001130237949 1201560405 /nfs/dbraw/zinc/56/04/05/1201560405.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 2 1 366.510 0.881 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CC(C)(C)C)[nH]1 ZINC001130237949 1201560410 /nfs/dbraw/zinc/56/04/10/1201560410.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 2 1 366.510 0.881 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CC(C)(C)C)[nH]1 ZINC001130237949 1201560411 /nfs/dbraw/zinc/56/04/11/1201560411.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 2 1 366.510 0.881 20 0 FCADMP CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1)[NH+](C)C ZINC001130238131 1201561844 /nfs/dbraw/zinc/56/18/44/1201561844.db2.gz VDCOIUNPHROZFX-KKUMJFAQSA-N 2 1 366.510 0.879 20 0 FCADMP CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130245210 1201565273 /nfs/dbraw/zinc/56/52/73/1201565273.db2.gz VOPLGNGLOFTRQU-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130251271 1201570631 /nfs/dbraw/zinc/57/06/31/1201570631.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 2 1 370.473 0.583 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130251271 1201570633 /nfs/dbraw/zinc/57/06/33/1201570633.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 2 1 370.473 0.583 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130251271 1201570636 /nfs/dbraw/zinc/57/06/36/1201570636.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 2 1 370.473 0.583 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130304984 1201581082 /nfs/dbraw/zinc/58/10/82/1201581082.db2.gz HOKYQIGLZYWSAR-APWZRJJASA-N 2 1 368.522 0.186 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130307670 1201582349 /nfs/dbraw/zinc/58/23/49/1201582349.db2.gz YAXWOSRJEJFJKY-GMBSWORKSA-N 2 1 368.522 0.183 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999268 1224722332 /nfs/dbraw/zinc/72/23/32/1224722332.db2.gz OLUCFBRJPLBNJO-MOPGFXCFSA-N 3 1 359.518 0.690 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220011151 1224726450 /nfs/dbraw/zinc/72/64/50/1224726450.db2.gz NUJFPBZBOOXTLW-MSOLQXFVSA-N 2 1 358.442 0.822 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220011151 1224726456 /nfs/dbraw/zinc/72/64/56/1224726456.db2.gz NUJFPBZBOOXTLW-MSOLQXFVSA-N 2 1 358.442 0.822 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130594598 1202727170 /nfs/dbraw/zinc/72/71/70/1202727170.db2.gz QGEJVGJRVJBFJE-XLMAVXFVSA-N 2 1 363.506 0.681 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)no1 ZINC001130670117 1202751688 /nfs/dbraw/zinc/75/16/88/1202751688.db2.gz RRBQSARVEFOBNV-DOTOQJQBSA-N 2 1 360.462 0.752 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672520 1202752358 /nfs/dbraw/zinc/75/23/58/1202752358.db2.gz RCDASSTXBCBVOI-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726338 1202767978 /nfs/dbraw/zinc/76/79/78/1202767978.db2.gz TUUUXEIUTZZQPW-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130732100 1202772810 /nfs/dbraw/zinc/77/28/10/1202772810.db2.gz ZKMPCBGONVOSNC-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130732100 1202772814 /nfs/dbraw/zinc/77/28/14/1202772814.db2.gz ZKMPCBGONVOSNC-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130804224 1202800888 /nfs/dbraw/zinc/80/08/88/1202800888.db2.gz ACRFGXFBXXDRHT-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP C[NH+](C)CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130817337 1202807747 /nfs/dbraw/zinc/80/77/47/1202807747.db2.gz MDKFCGMVWNZSNA-UONOGXRCSA-N 2 1 370.473 0.932 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOC)C2)CC[N@H+]1C ZINC001130994339 1202838563 /nfs/dbraw/zinc/83/85/63/1202838563.db2.gz UVICLBQIHRAOJF-YLFCFFPRSA-N 2 1 363.506 0.681 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008166 1202842193 /nfs/dbraw/zinc/84/21/93/1202842193.db2.gz UTRMAXNXHWDNHV-IAGOWNOFSA-N 2 1 363.506 0.825 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131089761 1202860979 /nfs/dbraw/zinc/86/09/79/1202860979.db2.gz YTDVKDCALCFKFM-HZPDHXFCSA-N 2 1 360.462 0.282 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120923 1202865804 /nfs/dbraw/zinc/86/58/04/1202865804.db2.gz DBHKCVYABSPQAJ-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CCO ZINC001131133043 1202869755 /nfs/dbraw/zinc/86/97/55/1202869755.db2.gz ZHDMTVIMFNQLDI-QZTJIDSGSA-N 2 1 371.485 0.428 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CCO ZINC001131133043 1202869758 /nfs/dbraw/zinc/86/97/58/1202869758.db2.gz ZHDMTVIMFNQLDI-QZTJIDSGSA-N 2 1 371.485 0.428 20 0 FCADMP CCOC(=O)CC[C@]1(C)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000808153572 1202874873 /nfs/dbraw/zinc/87/48/73/1202874873.db2.gz DBBDRUQJEYQJMV-SFHVURJKSA-N 2 1 368.478 0.871 20 0 FCADMP CCOC(=O)CC[C@]1(C)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000808153572 1202874875 /nfs/dbraw/zinc/87/48/75/1202874875.db2.gz DBBDRUQJEYQJMV-SFHVURJKSA-N 2 1 368.478 0.871 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086664294 1202881107 /nfs/dbraw/zinc/88/11/07/1202881107.db2.gz HQYGEKPFQIHGEA-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086664294 1202881109 /nfs/dbraw/zinc/88/11/09/1202881109.db2.gz HQYGEKPFQIHGEA-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131316071 1202885397 /nfs/dbraw/zinc/88/53/97/1202885397.db2.gz AMFSICFLJWHHTK-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131316071 1202885401 /nfs/dbraw/zinc/88/54/01/1202885401.db2.gz AMFSICFLJWHHTK-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313451 1202888013 /nfs/dbraw/zinc/88/80/13/1202888013.db2.gz SGAVETKOLLYWBM-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086666111 1202889038 /nfs/dbraw/zinc/88/90/38/1202889038.db2.gz YZRBNDICEZERHG-SQWLQELKSA-N 2 1 363.462 0.190 20 0 FCADMP COc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086666111 1202889039 /nfs/dbraw/zinc/88/90/39/1202889039.db2.gz YZRBNDICEZERHG-SQWLQELKSA-N 2 1 363.462 0.190 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131578360 1202916410 /nfs/dbraw/zinc/91/64/10/1202916410.db2.gz SQFSEZACWAXXHT-MJGOQNOKSA-N 2 1 369.506 0.077 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131597198 1202919680 /nfs/dbraw/zinc/91/96/80/1202919680.db2.gz QIAWTBVPLIYNNK-APWZRJJASA-N 2 1 368.522 0.402 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609024 1202920472 /nfs/dbraw/zinc/92/04/72/1202920472.db2.gz WARHOARNOCTRMH-APWZRJJASA-N 2 1 368.522 0.448 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609039 1202920671 /nfs/dbraw/zinc/92/06/71/1202920671.db2.gz XCIQLLZHSOQHBU-KYJSFNMBSA-N 2 1 368.522 0.447 20 0 FCADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126583 1203015910 /nfs/dbraw/zinc/01/59/10/1203015910.db2.gz YLGZIWAPOQKAIA-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001086731355 1203052178 /nfs/dbraw/zinc/05/21/78/1203052178.db2.gz ICFNDHBJDASYQE-KYHPRHEASA-N 2 1 361.490 0.879 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001086731355 1203052179 /nfs/dbraw/zinc/05/21/79/1203052179.db2.gz ICFNDHBJDASYQE-KYHPRHEASA-N 2 1 361.490 0.879 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)O1 ZINC001086731302 1203052503 /nfs/dbraw/zinc/05/25/03/1203052503.db2.gz FRXPOUDPGPQANI-KYHPRHEASA-N 2 1 363.506 0.556 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)O1 ZINC001086731302 1203052505 /nfs/dbraw/zinc/05/25/05/1203052505.db2.gz FRXPOUDPGPQANI-KYHPRHEASA-N 2 1 363.506 0.556 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086740209 1203067032 /nfs/dbraw/zinc/06/70/32/1203067032.db2.gz NINNJSLKSQVZCA-XHSDSOJGSA-N 2 1 363.510 0.705 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086784958 1203092412 /nfs/dbraw/zinc/09/24/12/1203092412.db2.gz CTZZYTOOPYGOGX-XHSDSOJGSA-N 2 1 364.494 0.299 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cn(C)nn3)C1)CC2 ZINC001086788620 1203094040 /nfs/dbraw/zinc/09/40/40/1203094040.db2.gz WIYLMSZPELFRPD-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP COCCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863267 1203101778 /nfs/dbraw/zinc/10/17/78/1203101778.db2.gz UWJAMNRFCUFVQK-BRWVUGGUSA-N 2 1 370.538 0.744 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086820248 1203137224 /nfs/dbraw/zinc/13/72/24/1203137224.db2.gz VSQIHXISJJWLRM-XHSDSOJGSA-N 2 1 363.510 0.848 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086820247 1203137424 /nfs/dbraw/zinc/13/74/24/1203137424.db2.gz VSQIHXISJJWLRM-ARFHVFGLSA-N 2 1 363.510 0.848 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107621 1203279375 /nfs/dbraw/zinc/27/93/75/1203279375.db2.gz PHYZXMDHMOINED-BDXSIMOUSA-N 2 1 369.506 0.339 20 0 FCADMP O=C([C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670002 1203322894 /nfs/dbraw/zinc/32/28/94/1203322894.db2.gz KHVUJNUIBSYKRT-SJORKVTESA-N 2 1 353.426 0.417 20 0 FCADMP O=C([C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670002 1203322896 /nfs/dbraw/zinc/32/28/96/1203322896.db2.gz KHVUJNUIBSYKRT-SJORKVTESA-N 2 1 353.426 0.417 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001143776595 1203335012 /nfs/dbraw/zinc/33/50/12/1203335012.db2.gz RMYMHIMGIVZTRH-UHFFFAOYSA-N 2 1 372.513 0.928 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@]2(N)CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228072 1224809785 /nfs/dbraw/zinc/80/97/85/1224809785.db2.gz ABFJVPVFGPVYDJ-OALUTQOASA-N 2 1 360.458 0.001 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001220228994 1224810445 /nfs/dbraw/zinc/81/04/45/1224810445.db2.gz IIFITLDZCGNNNA-SJORKVTESA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001220228994 1224810446 /nfs/dbraw/zinc/81/04/46/1224810446.db2.gz IIFITLDZCGNNNA-SJORKVTESA-N 2 1 365.449 0.708 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261021 1224816038 /nfs/dbraw/zinc/81/60/38/1224816038.db2.gz OMQAUJDKLZOGBU-LJQANCHMSA-N 2 1 365.566 0.898 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000844223729 1204380017 /nfs/dbraw/zinc/38/00/17/1204380017.db2.gz AUDSMONUAQTGFZ-IBGZPJMESA-N 2 1 373.501 0.441 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000844223729 1204380023 /nfs/dbraw/zinc/38/00/23/1204380023.db2.gz AUDSMONUAQTGFZ-IBGZPJMESA-N 2 1 373.501 0.441 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000844226526 1204380684 /nfs/dbraw/zinc/38/06/84/1204380684.db2.gz MTNWYPXJJHJSTQ-SFHVURJKSA-N 2 1 362.474 0.901 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@H]1C1CC1 ZINC000844761107 1204434824 /nfs/dbraw/zinc/43/48/24/1204434824.db2.gz AXJLWTPJSNZMGT-UONOGXRCSA-N 2 1 364.446 0.091 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@H]1C1CC1 ZINC000844761107 1204434826 /nfs/dbraw/zinc/43/48/26/1204434826.db2.gz AXJLWTPJSNZMGT-UONOGXRCSA-N 2 1 364.446 0.091 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091118129 1204518584 /nfs/dbraw/zinc/51/85/84/1204518584.db2.gz ZBBXNKAGXHAUJB-RYRKJORJSA-N 2 1 361.490 0.880 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483055 1204523914 /nfs/dbraw/zinc/52/39/14/1204523914.db2.gz JUOXZKONYZBFNV-GJZGRUSLSA-N 2 1 371.526 0.193 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000846143276 1204596513 /nfs/dbraw/zinc/59/65/13/1204596513.db2.gz DDDAPIPZGSNEAQ-ZBRFXRBCSA-N 2 1 366.506 0.778 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@@H](Cc2ccccc2)C1 ZINC000846356820 1204619718 /nfs/dbraw/zinc/61/97/18/1204619718.db2.gz LJJAYAWMHZLTRC-GHTZIAJQSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@@H](Cc2ccccc2)C1 ZINC000846356820 1204619721 /nfs/dbraw/zinc/61/97/21/1204619721.db2.gz LJJAYAWMHZLTRC-GHTZIAJQSA-N 2 1 370.497 0.726 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846512079 1204635559 /nfs/dbraw/zinc/63/55/59/1204635559.db2.gz WUXJTHUPDUUQJO-HUUCEWRRSA-N 2 1 370.494 0.109 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846512079 1204635564 /nfs/dbraw/zinc/63/55/64/1204635564.db2.gz WUXJTHUPDUUQJO-HUUCEWRRSA-N 2 1 370.494 0.109 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358670 1224842469 /nfs/dbraw/zinc/84/24/69/1224842469.db2.gz WBRSVJMGMSSQKY-YVSFHVDLSA-N 2 1 360.458 0.251 20 0 FCADMP [NH3+]CCCNCC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358286 1224842792 /nfs/dbraw/zinc/84/27/92/1224842792.db2.gz QMJTUYFBIOFSLZ-SJORKVTESA-N 2 1 362.474 0.500 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220367301 1224845050 /nfs/dbraw/zinc/84/50/50/1224845050.db2.gz RQEBNAZKGTVDLB-SJORKVTESA-N 2 1 365.522 0.585 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220367301 1224845052 /nfs/dbraw/zinc/84/50/52/1224845052.db2.gz RQEBNAZKGTVDLB-SJORKVTESA-N 2 1 365.522 0.585 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220367301 1224845054 /nfs/dbraw/zinc/84/50/54/1224845054.db2.gz RQEBNAZKGTVDLB-SJORKVTESA-N 2 1 365.522 0.585 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220367301 1224845058 /nfs/dbraw/zinc/84/50/58/1224845058.db2.gz RQEBNAZKGTVDLB-SJORKVTESA-N 2 1 365.522 0.585 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531215 1204703311 /nfs/dbraw/zinc/70/33/11/1204703311.db2.gz MKBXFLXDUSQNFM-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531215 1204703324 /nfs/dbraw/zinc/70/33/24/1204703324.db2.gz MKBXFLXDUSQNFM-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC001091531215 1204703332 /nfs/dbraw/zinc/70/33/32/1204703332.db2.gz MKBXFLXDUSQNFM-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369667 1224845844 /nfs/dbraw/zinc/84/58/44/1224845844.db2.gz MPEMRTZBFBJYPM-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369667 1224845848 /nfs/dbraw/zinc/84/58/48/1224845848.db2.gz MPEMRTZBFBJYPM-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)CC(C)(C)C ZINC001220369667 1224845851 /nfs/dbraw/zinc/84/58/51/1224845851.db2.gz MPEMRTZBFBJYPM-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387197 1224852557 /nfs/dbraw/zinc/85/25/57/1224852557.db2.gz FDYJVSYNXFBDGB-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387197 1224852561 /nfs/dbraw/zinc/85/25/61/1224852561.db2.gz FDYJVSYNXFBDGB-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387197 1224852562 /nfs/dbraw/zinc/85/25/62/1224852562.db2.gz FDYJVSYNXFBDGB-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664294 1204810806 /nfs/dbraw/zinc/81/08/06/1204810806.db2.gz GADUCJIHSCGPLV-MDZRGWNJSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667817 1204814251 /nfs/dbraw/zinc/81/42/51/1204814251.db2.gz ZZSDWHXUOWHJAH-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667817 1204814254 /nfs/dbraw/zinc/81/42/54/1204814254.db2.gz ZZSDWHXUOWHJAH-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667817 1204814257 /nfs/dbraw/zinc/81/42/57/1204814257.db2.gz ZZSDWHXUOWHJAH-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667817 1204814260 /nfs/dbraw/zinc/81/42/60/1204814260.db2.gz ZZSDWHXUOWHJAH-SUMDDJOVSA-N 2 1 360.506 0.968 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000128573973 1204827040 /nfs/dbraw/zinc/82/70/40/1204827040.db2.gz LXYZQKKZSWPHDM-KURKYZTESA-N 2 1 369.554 0.621 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1)C1CC1 ZINC001091741060 1204838209 /nfs/dbraw/zinc/83/82/09/1204838209.db2.gz XWPJMSBLVSSIFJ-QRWLVFNGSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1)C1CC1 ZINC001091741060 1204838210 /nfs/dbraw/zinc/83/82/10/1204838210.db2.gz XWPJMSBLVSSIFJ-QRWLVFNGSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1)C1CC1 ZINC001091741060 1204838211 /nfs/dbraw/zinc/83/82/11/1204838211.db2.gz XWPJMSBLVSSIFJ-QRWLVFNGSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)C1 ZINC001086880023 1204855717 /nfs/dbraw/zinc/85/57/17/1204855717.db2.gz ILWDGBUCBWLRAF-JZXOWHBKSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)C1 ZINC001086880023 1204855720 /nfs/dbraw/zinc/85/57/20/1204855720.db2.gz ILWDGBUCBWLRAF-JZXOWHBKSA-N 2 1 361.490 0.880 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC001086875209 1204858674 /nfs/dbraw/zinc/85/86/74/1204858674.db2.gz KNVQLLREMRWEQX-RRFJBIMHSA-N 2 1 363.510 0.754 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC001086875209 1204858676 /nfs/dbraw/zinc/85/86/76/1204858676.db2.gz KNVQLLREMRWEQX-RRFJBIMHSA-N 2 1 363.510 0.754 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2c2cnn(C)c2)cn1 ZINC001086970897 1204870492 /nfs/dbraw/zinc/87/04/92/1204870492.db2.gz MIJKLJACFSEQCC-RCCFBDPRSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086982097 1204886764 /nfs/dbraw/zinc/88/67/64/1204886764.db2.gz SYSGTAAZPXUUTM-RYQLBKOJSA-N 2 1 363.506 0.274 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996705 1204887400 /nfs/dbraw/zinc/88/74/00/1204887400.db2.gz QYEWFJDYQUNQLC-BHYGNILZSA-N 2 1 363.506 0.417 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001087010106 1204897540 /nfs/dbraw/zinc/89/75/40/1204897540.db2.gz MAOWWUHFXYKNJD-KSZLIROESA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001087010106 1204897541 /nfs/dbraw/zinc/89/75/41/1204897541.db2.gz MAOWWUHFXYKNJD-KSZLIROESA-N 2 1 363.506 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001087038587 1204917265 /nfs/dbraw/zinc/91/72/65/1204917265.db2.gz NQXDLDGHJCXJEO-NXHRZFHOSA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001087038587 1204917273 /nfs/dbraw/zinc/91/72/73/1204917273.db2.gz NQXDLDGHJCXJEO-NXHRZFHOSA-N 2 1 362.474 0.365 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087063056 1204950228 /nfs/dbraw/zinc/95/02/28/1204950228.db2.gz HGYXVBDBLWNMFB-OWCLPIDISA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087063056 1204950234 /nfs/dbraw/zinc/95/02/34/1204950234.db2.gz HGYXVBDBLWNMFB-OWCLPIDISA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083725 1204971324 /nfs/dbraw/zinc/97/13/24/1204971324.db2.gz QDRJDRDTILOTNQ-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087083946 1204972269 /nfs/dbraw/zinc/97/22/69/1204972269.db2.gz ZCIBFBMLYLJBJD-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087091497 1204980118 /nfs/dbraw/zinc/98/01/18/1204980118.db2.gz ONPZREMMBYWQAK-RCCFBDPRSA-N 2 1 369.506 0.198 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087100985 1204997769 /nfs/dbraw/zinc/99/77/69/1204997769.db2.gz OCFTXRDVFZBWPO-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087096544 1205004591 /nfs/dbraw/zinc/00/45/91/1205004591.db2.gz RKMVUSFOTJWVDT-ARFHVFGLSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087096544 1205004595 /nfs/dbraw/zinc/00/45/95/1205004595.db2.gz RKMVUSFOTJWVDT-ARFHVFGLSA-N 2 1 365.478 0.673 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776637 1205006935 /nfs/dbraw/zinc/00/69/35/1205006935.db2.gz NGDPMFYELYSELG-FCEWJHQRSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787168 1205012492 /nfs/dbraw/zinc/01/24/92/1205012492.db2.gz TWMGHECZIQIADX-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787168 1205012495 /nfs/dbraw/zinc/01/24/95/1205012495.db2.gz TWMGHECZIQIADX-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787168 1205012498 /nfs/dbraw/zinc/01/24/98/1205012498.db2.gz TWMGHECZIQIADX-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091819163 1205041722 /nfs/dbraw/zinc/04/17/22/1205041722.db2.gz QXIVBKFQGDYPOP-BEFAXECRSA-N 2 1 360.502 0.674 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091824459 1205044474 /nfs/dbraw/zinc/04/44/74/1205044474.db2.gz ZDJQTDHYHNGZCN-OHNRDTAOSA-N 2 1 355.442 0.863 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910073 1205069219 /nfs/dbraw/zinc/06/92/19/1205069219.db2.gz GYYYFAHKRJETPE-QRWLVFNGSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910063 1205069558 /nfs/dbraw/zinc/06/95/58/1205069558.db2.gz GMTOWOOGFYKVLH-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)nn1 ZINC001091975191 1205105934 /nfs/dbraw/zinc/10/59/34/1205105934.db2.gz JSWHQLIJWYJUHH-APWZRJJASA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)nn1 ZINC001091975191 1205105939 /nfs/dbraw/zinc/10/59/39/1205105939.db2.gz JSWHQLIJWYJUHH-APWZRJJASA-N 2 1 360.506 0.920 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014637 1205113919 /nfs/dbraw/zinc/11/39/19/1205113919.db2.gz BJMSEPDSBFOEIT-QINHECLXSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014637 1205113920 /nfs/dbraw/zinc/11/39/20/1205113920.db2.gz BJMSEPDSBFOEIT-QINHECLXSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014637 1205113921 /nfs/dbraw/zinc/11/39/21/1205113921.db2.gz BJMSEPDSBFOEIT-QINHECLXSA-N 2 1 364.534 0.975 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)C1 ZINC001092014665 1205114359 /nfs/dbraw/zinc/11/43/59/1205114359.db2.gz CGWHLTTXEVMAGY-QRWLVFNGSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)C1 ZINC001092014665 1205114365 /nfs/dbraw/zinc/11/43/65/1205114365.db2.gz CGWHLTTXEVMAGY-QRWLVFNGSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@]3(C)C2)C1 ZINC001092014665 1205114376 /nfs/dbraw/zinc/11/43/76/1205114376.db2.gz CGWHLTTXEVMAGY-QRWLVFNGSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)(OC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC001220431618 1224870247 /nfs/dbraw/zinc/87/02/47/1224870247.db2.gz KYYCLKVCZPBMFV-HOTGVXAUSA-N 2 1 363.458 0.677 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@@]3(C)C2)CC1 ZINC001092131305 1205169619 /nfs/dbraw/zinc/16/96/19/1205169619.db2.gz SHYYLPTYROFLFR-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092232920 1205204564 /nfs/dbraw/zinc/20/45/64/1205204564.db2.gz FFCBXXLSZPOSIN-LPMFXHHGSA-N 2 1 359.474 0.708 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092274411 1205221210 /nfs/dbraw/zinc/22/12/10/1205221210.db2.gz DYPVYMMXDOKKEQ-BEFAXECRSA-N 2 1 359.474 0.861 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092274411 1205221214 /nfs/dbraw/zinc/22/12/14/1205221214.db2.gz DYPVYMMXDOKKEQ-BEFAXECRSA-N 2 1 359.474 0.861 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001092275383 1205222422 /nfs/dbraw/zinc/22/24/22/1205222422.db2.gz ZVYCWWAJECOOCX-HLIPFELVSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278014 1205224319 /nfs/dbraw/zinc/22/43/19/1205224319.db2.gz BZPRNKDZLHUPME-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278014 1205224325 /nfs/dbraw/zinc/22/43/25/1205224325.db2.gz BZPRNKDZLHUPME-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC3(C[NH+](CC4CC4)C3)n3ccnc32)O1 ZINC001092374515 1205277053 /nfs/dbraw/zinc/27/70/53/1205277053.db2.gz CEJWOLRKOBLCAF-VNQPRFMTSA-N 2 1 359.474 0.584 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC3(C[NH+](CC4CC4)C3)n3ccnc32)O1 ZINC001092374515 1205277056 /nfs/dbraw/zinc/27/70/56/1205277056.db2.gz CEJWOLRKOBLCAF-VNQPRFMTSA-N 2 1 359.474 0.584 20 0 FCADMP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3COC[NH2+]3)nc3ccc(C)cc3n12 ZINC001220456704 1224879084 /nfs/dbraw/zinc/87/90/84/1224879084.db2.gz YZKPISHGXVTFCN-AWEZNQCLSA-N 2 1 354.414 0.737 20 0 FCADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220492369 1224890780 /nfs/dbraw/zinc/89/07/80/1224890780.db2.gz LQMMEFQSUXNOLT-FUJDEKNSSA-N 2 1 374.485 0.123 20 0 FCADMP CN(CC[NH3+])CCNC(=O)CC[C@H]([NH3+])C(=O)OC(C)(C)c1ccccc1 ZINC001220517268 1224900183 /nfs/dbraw/zinc/90/01/83/1224900183.db2.gz DKFGHRAROGRZCQ-INIZCTEOSA-N 2 1 364.490 0.579 20 0 FCADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517064 1224900383 /nfs/dbraw/zinc/90/03/83/1224900383.db2.gz UGMHNLAWQCJCPG-JQHSSLGASA-N 2 1 365.522 0.902 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001220521272 1224902916 /nfs/dbraw/zinc/90/29/16/1224902916.db2.gz AZDBSGGQECFVQK-CQSZACIVSA-N 3 1 364.490 0.377 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968153 1205968183 /nfs/dbraw/zinc/96/81/83/1205968183.db2.gz NRRKUPKJOQMXFI-IIDMSEBBSA-N 2 1 360.502 0.962 20 0 FCADMP C[NH+]1CCN(c2ncc(CNCC3([NH+]4CCCC4)CCOCC3)cn2)CC1 ZINC001649155106 1205968222 /nfs/dbraw/zinc/96/82/22/1205968222.db2.gz BOWIQPTTXZWDMS-UHFFFAOYSA-N 2 1 374.533 0.963 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220547887 1224920887 /nfs/dbraw/zinc/92/08/87/1224920887.db2.gz MCGROZLBWXVDGY-KURKYZTESA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220547887 1224920893 /nfs/dbraw/zinc/92/08/93/1224920893.db2.gz MCGROZLBWXVDGY-KURKYZTESA-N 2 1 369.506 0.077 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040304 1206002010 /nfs/dbraw/zinc/00/20/10/1206002010.db2.gz MYMIGFAPPYZSJR-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040304 1206002013 /nfs/dbraw/zinc/00/20/13/1206002013.db2.gz MYMIGFAPPYZSJR-ZIAGYGMSSA-N 2 1 361.450 0.326 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040989 1206002058 /nfs/dbraw/zinc/00/20/58/1206002058.db2.gz ZNQOBCUYHBTKFB-FMKPAKJESA-N 2 1 364.494 0.006 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084454 1206014336 /nfs/dbraw/zinc/01/43/36/1206014336.db2.gz KBTCCOZKLXBEEY-RBSFLKMASA-N 2 1 370.457 0.700 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084454 1206014341 /nfs/dbraw/zinc/01/43/41/1206014341.db2.gz KBTCCOZKLXBEEY-RBSFLKMASA-N 2 1 370.457 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134255 1206032235 /nfs/dbraw/zinc/03/22/35/1206032235.db2.gz YOCRNSHNEOQMKW-ZACQAIPSSA-N 2 1 361.490 0.024 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093134148 1206032352 /nfs/dbraw/zinc/03/23/52/1206032352.db2.gz WELMVLTUPXYJJK-HUUCEWRRSA-N 2 1 359.474 0.765 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)no1 ZINC001093195364 1206052717 /nfs/dbraw/zinc/05/27/17/1206052717.db2.gz ONBKYWAQYVOMFO-BPLDGKMQSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)no1 ZINC001093195364 1206052722 /nfs/dbraw/zinc/05/27/22/1206052722.db2.gz ONBKYWAQYVOMFO-BPLDGKMQSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)no1 ZINC001093195364 1206052726 /nfs/dbraw/zinc/05/27/26/1206052726.db2.gz ONBKYWAQYVOMFO-BPLDGKMQSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)no1 ZINC001093195364 1206052727 /nfs/dbraw/zinc/05/27/27/1206052727.db2.gz ONBKYWAQYVOMFO-BPLDGKMQSA-N 2 1 363.462 0.557 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001093673452 1206099746 /nfs/dbraw/zinc/09/97/46/1206099746.db2.gz QPUPOMZNHAJTAX-RBSFLKMASA-N 2 1 362.478 0.087 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817053 1206134537 /nfs/dbraw/zinc/13/45/37/1206134537.db2.gz YTJYKMDCPHLQQS-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001093857386 1206135744 /nfs/dbraw/zinc/13/57/44/1206135744.db2.gz BRJSYGWVATZQKX-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001093857386 1206135751 /nfs/dbraw/zinc/13/57/51/1206135751.db2.gz BRJSYGWVATZQKX-GFOCRRMGSA-N 2 1 361.490 0.688 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093863923 1206136995 /nfs/dbraw/zinc/13/69/95/1206136995.db2.gz APKOYLGTKQBDRL-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC001093920918 1206150170 /nfs/dbraw/zinc/15/01/70/1206150170.db2.gz AWQUTPJUXJNEPA-OIISXLGYSA-N 2 1 361.490 0.885 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093993773 1206165118 /nfs/dbraw/zinc/16/51/18/1206165118.db2.gz SRJZDKJWHFDXBV-BZUAXINKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)C1 ZINC001093993773 1206165122 /nfs/dbraw/zinc/16/51/22/1206165122.db2.gz SRJZDKJWHFDXBV-BZUAXINKSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001094041009 1206173898 /nfs/dbraw/zinc/17/38/98/1206173898.db2.gz STUHJOXWQZLBIU-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094113878 1206186063 /nfs/dbraw/zinc/18/60/63/1206186063.db2.gz IDOQJJBTRWRRIV-IAGOWNOFSA-N 2 1 363.506 0.809 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094137011 1206191557 /nfs/dbraw/zinc/19/15/57/1206191557.db2.gz DZMDIDDRBNURMG-CKEIUWERSA-N 2 1 368.441 0.454 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1 ZINC001094221501 1206203867 /nfs/dbraw/zinc/20/38/67/1206203867.db2.gz NNAAZFYDFBACTD-BMFZPTHFSA-N 2 1 357.462 0.655 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CCC2 ZINC001172172520 1206258824 /nfs/dbraw/zinc/25/88/24/1206258824.db2.gz FIKWBLPUYCCPGL-JKSUJKDBSA-N 2 1 359.474 0.664 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001172250145 1206260238 /nfs/dbraw/zinc/26/02/38/1206260238.db2.gz AUGILTIUFMLGFB-MSOLQXFVSA-N 2 1 361.490 0.867 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001172250145 1206260242 /nfs/dbraw/zinc/26/02/42/1206260242.db2.gz AUGILTIUFMLGFB-MSOLQXFVSA-N 2 1 361.490 0.867 20 0 FCADMP CC[N@H+]1CC[C@H](N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1 ZINC001173362355 1206269615 /nfs/dbraw/zinc/26/96/15/1206269615.db2.gz DZHXLMHLRPWBIX-WMZOPIPTSA-N 2 1 362.522 0.921 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736142 1206364176 /nfs/dbraw/zinc/36/41/76/1206364176.db2.gz QJWRURYBGGBVOW-ZQDZILKHSA-N 2 1 367.494 0.141 20 0 FCADMP Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC001178930497 1206367572 /nfs/dbraw/zinc/36/75/72/1206367572.db2.gz DEOBKYYREOXAPZ-DLBZAZTESA-N 2 1 371.489 0.972 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCC2 ZINC001180760332 1206398934 /nfs/dbraw/zinc/39/89/34/1206398934.db2.gz SPDJAPCFXFALRY-QGZVFWFLSA-N 2 1 365.478 0.024 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC001180760332 1206398935 /nfs/dbraw/zinc/39/89/35/1206398935.db2.gz SPDJAPCFXFALRY-QGZVFWFLSA-N 2 1 365.478 0.024 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001182684702 1206442101 /nfs/dbraw/zinc/44/21/01/1206442101.db2.gz UZMDEHYRMKPNAA-RBSFLKMASA-N 2 1 362.478 0.198 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273511998 1206488842 /nfs/dbraw/zinc/48/88/42/1206488842.db2.gz OYGHRAMKLGHTDH-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273511998 1206488843 /nfs/dbraw/zinc/48/88/43/1206488843.db2.gz OYGHRAMKLGHTDH-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@]3(C2)C[N@H+](CCn2ccnc2)CCO3)C1 ZINC001273511998 1206488845 /nfs/dbraw/zinc/48/88/45/1206488845.db2.gz OYGHRAMKLGHTDH-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@]3(C2)C[N@@H+](CCn2ccnc2)CCO3)C1 ZINC001273511998 1206488846 /nfs/dbraw/zinc/48/88/46/1206488846.db2.gz OYGHRAMKLGHTDH-HKUYNNGSSA-N 2 1 361.490 0.528 20 0 FCADMP CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185964449 1206489978 /nfs/dbraw/zinc/48/99/78/1206489978.db2.gz WRRKQLVXWSSUDP-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001185964449 1206489981 /nfs/dbraw/zinc/48/99/81/1206489981.db2.gz WRRKQLVXWSSUDP-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1 ZINC001186115492 1206493972 /nfs/dbraw/zinc/49/39/72/1206493972.db2.gz ANIRIGULSDVAFR-INIZCTEOSA-N 2 1 361.442 0.238 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CC45CCC[NH+]4CCC5)CC3)[C@H]2C1 ZINC001273558821 1207443600 /nfs/dbraw/zinc/44/36/00/1207443600.db2.gz OWEVLMYOWKVJQC-HOTGVXAUSA-N 2 1 360.502 0.674 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21)c1cc[nH+]cc1 ZINC001188405933 1207454441 /nfs/dbraw/zinc/45/44/41/1207454441.db2.gz VPDPVYNYLPWJCD-MAUKXSAKSA-N 2 1 369.473 0.769 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21)c1cc[nH+]cc1 ZINC001188405933 1207454444 /nfs/dbraw/zinc/45/44/44/1207454444.db2.gz VPDPVYNYLPWJCD-MAUKXSAKSA-N 2 1 369.473 0.769 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819244 1207483353 /nfs/dbraw/zinc/48/33/53/1207483353.db2.gz UOUPAASBUYJZQN-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819244 1207483355 /nfs/dbraw/zinc/48/33/55/1207483355.db2.gz UOUPAASBUYJZQN-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188819244 1207483358 /nfs/dbraw/zinc/48/33/58/1207483358.db2.gz UOUPAASBUYJZQN-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188819244 1207483361 /nfs/dbraw/zinc/48/33/61/1207483361.db2.gz UOUPAASBUYJZQN-YESZJQIVSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001188963224 1207493304 /nfs/dbraw/zinc/49/33/04/1207493304.db2.gz MAWFYXWTYXEVOE-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001188963224 1207493308 /nfs/dbraw/zinc/49/33/08/1207493308.db2.gz MAWFYXWTYXEVOE-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001189062279 1207498779 /nfs/dbraw/zinc/49/87/79/1207498779.db2.gz PYNALDWYHWQZIZ-XYJFISCASA-N 2 1 365.474 0.642 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126698 1207509443 /nfs/dbraw/zinc/50/94/43/1207509443.db2.gz LEKZJQQAIICVBY-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126698 1207509445 /nfs/dbraw/zinc/50/94/45/1207509445.db2.gz LEKZJQQAIICVBY-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126698 1207509449 /nfs/dbraw/zinc/50/94/49/1207509449.db2.gz LEKZJQQAIICVBY-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC4CC4)C[C@H]32)C1 ZINC001189126698 1207509452 /nfs/dbraw/zinc/50/94/52/1207509452.db2.gz LEKZJQQAIICVBY-BPQIPLTHSA-N 2 1 362.518 0.729 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470710 1207551757 /nfs/dbraw/zinc/55/17/57/1207551757.db2.gz LAJGPIDCVNVIIF-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470710 1207551766 /nfs/dbraw/zinc/55/17/66/1207551766.db2.gz LAJGPIDCVNVIIF-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820039 1207605154 /nfs/dbraw/zinc/60/51/54/1207605154.db2.gz LNFKWXCDONRBJI-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820039 1207605157 /nfs/dbraw/zinc/60/51/57/1207605157.db2.gz LNFKWXCDONRBJI-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820039 1207605159 /nfs/dbraw/zinc/60/51/59/1207605159.db2.gz LNFKWXCDONRBJI-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189820039 1207605161 /nfs/dbraw/zinc/60/51/61/1207605161.db2.gz LNFKWXCDONRBJI-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819911 1207605198 /nfs/dbraw/zinc/60/51/98/1207605198.db2.gz DHMUYECTTFYZPR-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nn1 ZINC001189801983 1207610905 /nfs/dbraw/zinc/61/09/05/1207610905.db2.gz PDQFHKHLTHLALT-GOEBONIOSA-N 2 1 363.462 0.096 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nn1 ZINC001189801983 1207610908 /nfs/dbraw/zinc/61/09/08/1207610908.db2.gz PDQFHKHLTHLALT-GOEBONIOSA-N 2 1 363.462 0.096 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189898231 1207624032 /nfs/dbraw/zinc/62/40/32/1207624032.db2.gz GRBKTMPDWRBZRI-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189898231 1207624036 /nfs/dbraw/zinc/62/40/36/1207624036.db2.gz GRBKTMPDWRBZRI-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189898231 1207624041 /nfs/dbraw/zinc/62/40/41/1207624041.db2.gz GRBKTMPDWRBZRI-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001190177442 1207656902 /nfs/dbraw/zinc/65/69/02/1207656902.db2.gz MDTRBBZTZQJQMQ-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001190177442 1207656911 /nfs/dbraw/zinc/65/69/11/1207656911.db2.gz MDTRBBZTZQJQMQ-RCCFBDPRSA-N 2 1 362.474 0.920 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177400 1207657210 /nfs/dbraw/zinc/65/72/10/1207657210.db2.gz LOXPSUUBIMWVHC-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177400 1207657218 /nfs/dbraw/zinc/65/72/18/1207657218.db2.gz LOXPSUUBIMWVHC-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688806 1225014531 /nfs/dbraw/zinc/01/45/31/1225014531.db2.gz QLGYGABUVFAWCR-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688806 1225014543 /nfs/dbraw/zinc/01/45/43/1225014543.db2.gz QLGYGABUVFAWCR-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688806 1225014552 /nfs/dbraw/zinc/01/45/52/1225014552.db2.gz QLGYGABUVFAWCR-KURKYZTESA-N 2 1 367.465 0.232 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@H]2O)CCC1 ZINC001193773852 1207887992 /nfs/dbraw/zinc/88/79/92/1207887992.db2.gz FAIRFVDOAFQKNW-GVDBMIGSSA-N 2 1 369.506 0.218 20 0 FCADMP CN(C)c1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001193791033 1207889273 /nfs/dbraw/zinc/88/92/73/1207889273.db2.gz BOTHZFWUHRSYBG-RTBURBONSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001193791033 1207889276 /nfs/dbraw/zinc/88/92/76/1207889276.db2.gz BOTHZFWUHRSYBG-RTBURBONSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001193791033 1207889277 /nfs/dbraw/zinc/88/92/77/1207889277.db2.gz BOTHZFWUHRSYBG-RTBURBONSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001193791033 1207889278 /nfs/dbraw/zinc/88/92/78/1207889278.db2.gz BOTHZFWUHRSYBG-RTBURBONSA-N 2 1 360.502 0.898 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805011 1207891149 /nfs/dbraw/zinc/89/11/49/1207891149.db2.gz IBQDLOTXAFDJRB-FGTMMUONSA-N 2 1 365.449 0.505 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805011 1207891151 /nfs/dbraw/zinc/89/11/51/1207891151.db2.gz IBQDLOTXAFDJRB-FGTMMUONSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805011 1207891152 /nfs/dbraw/zinc/89/11/52/1207891152.db2.gz IBQDLOTXAFDJRB-FGTMMUONSA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193805011 1207891155 /nfs/dbraw/zinc/89/11/55/1207891155.db2.gz IBQDLOTXAFDJRB-FGTMMUONSA-N 2 1 365.449 0.505 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC001194038569 1207907753 /nfs/dbraw/zinc/90/77/53/1207907753.db2.gz FDTNNRFSCGCPRX-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001194102972 1207919169 /nfs/dbraw/zinc/91/91/69/1207919169.db2.gz QZYWCEGVWXSNEX-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831924 1207977842 /nfs/dbraw/zinc/97/78/42/1207977842.db2.gz IVWKFBGNOAHGDT-SFEKYPNESA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C\CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831924 1207977844 /nfs/dbraw/zinc/97/78/44/1207977844.db2.gz IVWKFBGNOAHGDT-SFEKYPNESA-N 2 1 363.502 0.757 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)cn1 ZINC001195006426 1207988580 /nfs/dbraw/zinc/98/85/80/1207988580.db2.gz IGKSHBFBSMVPME-IAGOWNOFSA-N 2 1 363.506 0.388 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)CC1 ZINC001195676670 1208032447 /nfs/dbraw/zinc/03/24/47/1208032447.db2.gz HXFLCPSNKINXOX-QZTJIDSGSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)CC1 ZINC001195676670 1208032448 /nfs/dbraw/zinc/03/24/48/1208032448.db2.gz HXFLCPSNKINXOX-QZTJIDSGSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195676447 1208032867 /nfs/dbraw/zinc/03/28/67/1208032867.db2.gz FSVCCGYHXHMZCR-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195676447 1208032868 /nfs/dbraw/zinc/03/28/68/1208032868.db2.gz FSVCCGYHXHMZCR-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001195678124 1208033273 /nfs/dbraw/zinc/03/32/73/1208033273.db2.gz YZKGXZGLWHWYER-QZTJIDSGSA-N 2 1 361.486 0.741 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC1 ZINC001195661078 1208033912 /nfs/dbraw/zinc/03/39/12/1208033912.db2.gz GMUDQWGMRSWBHD-QZTJIDSGSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC1 ZINC001195661078 1208033913 /nfs/dbraw/zinc/03/39/13/1208033913.db2.gz GMUDQWGMRSWBHD-QZTJIDSGSA-N 2 1 359.470 0.720 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)[NH+](C)C ZINC001195980837 1208049156 /nfs/dbraw/zinc/04/91/56/1208049156.db2.gz HCDFPBCWEDRJAE-KZNAEPCWSA-N 2 1 367.465 0.952 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169096 1208063094 /nfs/dbraw/zinc/06/30/94/1208063094.db2.gz OFFDBSPSXOSSBO-QXAKKESOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169096 1208063099 /nfs/dbraw/zinc/06/30/99/1208063099.db2.gz OFFDBSPSXOSSBO-QXAKKESOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169096 1208063102 /nfs/dbraw/zinc/06/31/02/1208063102.db2.gz OFFDBSPSXOSSBO-QXAKKESOSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169096 1208063105 /nfs/dbraw/zinc/06/31/05/1208063105.db2.gz OFFDBSPSXOSSBO-QXAKKESOSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207924 1208065622 /nfs/dbraw/zinc/06/56/22/1208065622.db2.gz WFMIGKHHNSEEAP-BZUAXINKSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207924 1208065627 /nfs/dbraw/zinc/06/56/27/1208065627.db2.gz WFMIGKHHNSEEAP-BZUAXINKSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)CC(C)(C)C ZINC001196207924 1208065630 /nfs/dbraw/zinc/06/56/30/1208065630.db2.gz WFMIGKHHNSEEAP-BZUAXINKSA-N 2 1 368.522 0.042 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196215217 1208067304 /nfs/dbraw/zinc/06/73/04/1208067304.db2.gz WVNRITABWLMXOH-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196215217 1208067308 /nfs/dbraw/zinc/06/73/08/1208067308.db2.gz WVNRITABWLMXOH-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196215217 1208067314 /nfs/dbraw/zinc/06/73/14/1208067314.db2.gz WVNRITABWLMXOH-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196215217 1208067318 /nfs/dbraw/zinc/06/73/18/1208067318.db2.gz WVNRITABWLMXOH-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222225 1208067581 /nfs/dbraw/zinc/06/75/81/1208067581.db2.gz KIPQUFSJFXTAPH-BZUAXINKSA-N 2 1 370.538 0.430 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222635 1208068275 /nfs/dbraw/zinc/06/82/75/1208068275.db2.gz VIUSJPGUMXOOEC-BHIYHBOVSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222635 1208068280 /nfs/dbraw/zinc/06/82/80/1208068280.db2.gz VIUSJPGUMXOOEC-BHIYHBOVSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196222635 1208068283 /nfs/dbraw/zinc/06/82/83/1208068283.db2.gz VIUSJPGUMXOOEC-BHIYHBOVSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196222635 1208068287 /nfs/dbraw/zinc/06/82/87/1208068287.db2.gz VIUSJPGUMXOOEC-BHIYHBOVSA-N 2 1 363.502 0.483 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O)[NH+](C)C ZINC001196260524 1208069236 /nfs/dbraw/zinc/06/92/36/1208069236.db2.gz RFEGGNSOUDZNMC-CEXWTWQISA-N 2 1 371.485 0.874 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O)[NH+](C)C ZINC001196260524 1208069239 /nfs/dbraw/zinc/06/92/39/1208069239.db2.gz RFEGGNSOUDZNMC-CEXWTWQISA-N 2 1 371.485 0.874 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196803284 1208107907 /nfs/dbraw/zinc/10/79/07/1208107907.db2.gz BLTVLZHXXIZJCY-IAGOWNOFSA-N 2 1 367.494 0.036 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196803284 1208107908 /nfs/dbraw/zinc/10/79/08/1208107908.db2.gz BLTVLZHXXIZJCY-IAGOWNOFSA-N 2 1 367.494 0.036 20 0 FCADMP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001197536272 1208171612 /nfs/dbraw/zinc/17/16/12/1208171612.db2.gz QQIPNNACHKXFNI-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001197536272 1208171613 /nfs/dbraw/zinc/17/16/13/1208171613.db2.gz QQIPNNACHKXFNI-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001197536272 1208171614 /nfs/dbraw/zinc/17/16/14/1208171614.db2.gz QQIPNNACHKXFNI-CEXWTWQISA-N 2 1 363.502 0.786 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@H]1O ZINC001197826441 1208201907 /nfs/dbraw/zinc/20/19/07/1208201907.db2.gz XGEMIXSGMWVTGO-CTDFLUCESA-N 2 1 361.486 0.829 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)c1ccccc1 ZINC001197826215 1208201926 /nfs/dbraw/zinc/20/19/26/1208201926.db2.gz QZKDDIVIMGHWSG-KZNAEPCWSA-N 2 1 365.474 0.114 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001198146765 1208223554 /nfs/dbraw/zinc/22/35/54/1208223554.db2.gz IZCFOTJPJMYZOX-HNNXBMFYSA-N 2 1 367.457 0.622 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652788 1208277145 /nfs/dbraw/zinc/27/71/45/1208277145.db2.gz BRQZGVNVXUZSPC-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652788 1208277150 /nfs/dbraw/zinc/27/71/50/1208277150.db2.gz BRQZGVNVXUZSPC-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652788 1208277154 /nfs/dbraw/zinc/27/71/54/1208277154.db2.gz BRQZGVNVXUZSPC-IPMKNSEASA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001198699162 1208279204 /nfs/dbraw/zinc/27/92/04/1208279204.db2.gz LOELIFLSKDVSLY-QXAKKESOSA-N 2 1 361.486 0.359 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001198698934 1208279462 /nfs/dbraw/zinc/27/94/62/1208279462.db2.gz IBIIHHCQQIPADP-CGTJXYLNSA-N 2 1 365.518 0.696 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023952 1208310371 /nfs/dbraw/zinc/31/03/71/1208310371.db2.gz VVLJOBWGTLJPDL-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023952 1208310374 /nfs/dbraw/zinc/31/03/74/1208310374.db2.gz VVLJOBWGTLJPDL-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199057601 1208314732 /nfs/dbraw/zinc/31/47/32/1208314732.db2.gz NOWJWBUIDCFNRN-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199057601 1208314733 /nfs/dbraw/zinc/31/47/33/1208314733.db2.gz NOWJWBUIDCFNRN-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199071270 1208316203 /nfs/dbraw/zinc/31/62/03/1208316203.db2.gz QZFZFXWPFBYRSX-CEXWTWQISA-N 2 1 367.534 0.965 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199071282 1208316541 /nfs/dbraw/zinc/31/65/41/1208316541.db2.gz RCWCTVZIWBXWQL-QZTJIDSGSA-N 2 1 363.506 0.483 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199397849 1208344248 /nfs/dbraw/zinc/34/42/48/1208344248.db2.gz DGRSHSLBTGODQI-KZNAEPCWSA-N 2 1 364.490 0.766 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@@H]1O ZINC001220768662 1225063365 /nfs/dbraw/zinc/06/33/65/1225063365.db2.gz XGEMIXSGMWVTGO-AAYGWRJKSA-N 2 1 361.486 0.829 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@@H]1O ZINC001220768358 1225063600 /nfs/dbraw/zinc/06/36/00/1225063600.db2.gz ILBIOVDSUQNZAI-MSOLQXFVSA-N 2 1 367.465 0.498 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230504 1208449331 /nfs/dbraw/zinc/44/93/31/1208449331.db2.gz SWXCWJYJOASCES-GDBMZVCRSA-N 2 1 368.522 0.591 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230504 1208449333 /nfs/dbraw/zinc/44/93/33/1208449333.db2.gz SWXCWJYJOASCES-GDBMZVCRSA-N 2 1 368.522 0.591 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229461 1208449357 /nfs/dbraw/zinc/44/93/57/1208449357.db2.gz CEMBFSRDFCJNEM-HLLBOEOZSA-N 2 1 368.522 0.543 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229461 1208449359 /nfs/dbraw/zinc/44/93/59/1208449359.db2.gz CEMBFSRDFCJNEM-HLLBOEOZSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569614 1208464125 /nfs/dbraw/zinc/46/41/25/1208464125.db2.gz TTZLBYBDPKPHPH-VQHPVUNQSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569614 1208464131 /nfs/dbraw/zinc/46/41/31/1208464131.db2.gz TTZLBYBDPKPHPH-VQHPVUNQSA-N 2 1 362.518 0.964 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001489191401 1208654067 /nfs/dbraw/zinc/65/40/67/1208654067.db2.gz NHTGBUHOWCRICK-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001489191401 1208654076 /nfs/dbraw/zinc/65/40/76/1208654076.db2.gz NHTGBUHOWCRICK-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1)C1CCC1 ZINC001489191401 1208654086 /nfs/dbraw/zinc/65/40/86/1208654086.db2.gz NHTGBUHOWCRICK-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220807225 1225082852 /nfs/dbraw/zinc/08/28/52/1225082852.db2.gz RAMJDVMARNFYQZ-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001489535867 1208897295 /nfs/dbraw/zinc/89/72/95/1208897295.db2.gz ZHVBAEGSDUWKFQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1OC ZINC001489535867 1208897296 /nfs/dbraw/zinc/89/72/96/1208897296.db2.gz ZHVBAEGSDUWKFQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC001489535867 1208897297 /nfs/dbraw/zinc/89/72/97/1208897297.db2.gz ZHVBAEGSDUWKFQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP [NH3+][C@@H](CC(=O)NCCN1CC[NH2+]CC1=O)Cc1cccc2ccccc21 ZINC001220872214 1225118283 /nfs/dbraw/zinc/11/82/83/1225118283.db2.gz OKZQVSSSBIWZHY-QGZVFWFLSA-N 2 1 354.454 0.648 20 0 FCADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001220926321 1225144316 /nfs/dbraw/zinc/14/43/16/1225144316.db2.gz HFZAEXNIKRTVCM-LSDHHAIUSA-N 2 1 363.462 0.162 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665478 1209592760 /nfs/dbraw/zinc/59/27/60/1209592760.db2.gz XDEOWKAXJICHGM-TWMKSMIVSA-N 2 1 369.506 0.216 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857100903 1209741180 /nfs/dbraw/zinc/74/11/80/1209741180.db2.gz OQTHUGATLGUSGB-DNVCBOLYSA-N 2 1 368.441 0.532 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861573673 1209871662 /nfs/dbraw/zinc/87/16/62/1209871662.db2.gz JLXKVNKQAXUCCE-OKZBNKHCSA-N 2 1 366.506 0.650 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000864906112 1209967706 /nfs/dbraw/zinc/96/77/06/1209967706.db2.gz LTJXIVPOFJXAKL-ZHCJQAHYSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000864906112 1209967710 /nfs/dbraw/zinc/96/77/10/1209967710.db2.gz LTJXIVPOFJXAKL-ZHCJQAHYSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000864906112 1209967715 /nfs/dbraw/zinc/96/77/15/1209967715.db2.gz LTJXIVPOFJXAKL-ZHCJQAHYSA-N 2 1 366.481 0.811 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@H](F)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000866044135 1209990431 /nfs/dbraw/zinc/99/04/31/1209990431.db2.gz PCXOQWGFQWGGNC-MTSZKFMLSA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H](F)C(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000866044135 1209990434 /nfs/dbraw/zinc/99/04/34/1209990434.db2.gz PCXOQWGFQWGGNC-MTSZKFMLSA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H](F)C(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000866044135 1209990437 /nfs/dbraw/zinc/99/04/37/1209990437.db2.gz PCXOQWGFQWGGNC-MTSZKFMLSA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[NH+]1C1CC1 ZINC000866458283 1209996613 /nfs/dbraw/zinc/99/66/13/1209996613.db2.gz ZXUKTGURHNFPPY-CGWQNEBGSA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000866458283 1209996617 /nfs/dbraw/zinc/99/66/17/1209996617.db2.gz ZXUKTGURHNFPPY-CGWQNEBGSA-N 2 1 366.481 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[N@H+]1C1CC1 ZINC000866458283 1209996623 /nfs/dbraw/zinc/99/66/23/1209996623.db2.gz ZXUKTGURHNFPPY-CGWQNEBGSA-N 2 1 366.481 0.807 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276818511 1225192924 /nfs/dbraw/zinc/19/29/24/1225192924.db2.gz OEZJFVAFXXSRJR-BEFAXECRSA-N 2 1 369.506 0.708 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c2cccs2)CC1 ZINC000825795436 1210375704 /nfs/dbraw/zinc/37/57/04/1210375704.db2.gz KZRVYMVBOMYBBA-OAHLLOKOSA-N 2 1 374.514 0.835 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001221073041 1225209778 /nfs/dbraw/zinc/20/97/78/1225209778.db2.gz CORSSIRPQDPFPJ-QRVBRYPASA-N 2 1 361.486 0.757 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000876781533 1210429691 /nfs/dbraw/zinc/42/96/91/1210429691.db2.gz HWEXULWWCDBGRZ-WBVHZDCISA-N 2 1 362.522 0.729 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876783955 1210430964 /nfs/dbraw/zinc/43/09/64/1210430964.db2.gz RVEBEYNRJDOVNU-ROUUACIJSA-N 2 1 374.533 0.968 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221081413 1225213700 /nfs/dbraw/zinc/21/37/00/1225213700.db2.gz KBJLHHOMDGETMT-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081926 1225214576 /nfs/dbraw/zinc/21/45/76/1225214576.db2.gz ZAGPZTFVPNHPIF-BBWFWOEESA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081926 1225214583 /nfs/dbraw/zinc/21/45/83/1225214583.db2.gz ZAGPZTFVPNHPIF-BBWFWOEESA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001221091919 1225218979 /nfs/dbraw/zinc/21/89/79/1225218979.db2.gz ZXRLFKIDKPKGPY-MSOLQXFVSA-N 2 1 361.486 0.666 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001221091919 1225218983 /nfs/dbraw/zinc/21/89/83/1225218983.db2.gz ZXRLFKIDKPKGPY-MSOLQXFVSA-N 2 1 361.486 0.666 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001221091919 1225218992 /nfs/dbraw/zinc/21/89/92/1225218992.db2.gz ZXRLFKIDKPKGPY-MSOLQXFVSA-N 2 1 361.486 0.666 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221093072 1225219755 /nfs/dbraw/zinc/21/97/55/1225219755.db2.gz BNFNHROUGUZIRJ-SJORKVTESA-N 2 1 362.474 0.048 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221093072 1225219760 /nfs/dbraw/zinc/21/97/60/1225219760.db2.gz BNFNHROUGUZIRJ-SJORKVTESA-N 2 1 362.474 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221093072 1225219766 /nfs/dbraw/zinc/21/97/66/1225219766.db2.gz BNFNHROUGUZIRJ-SJORKVTESA-N 2 1 362.474 0.048 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221093072 1225219772 /nfs/dbraw/zinc/21/97/72/1225219772.db2.gz BNFNHROUGUZIRJ-SJORKVTESA-N 2 1 362.474 0.048 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000888887439 1210593245 /nfs/dbraw/zinc/59/32/45/1210593245.db2.gz NXIFIGLLYXXQKV-JKSUJKDBSA-N 2 1 369.510 0.249 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)n1 ZINC000882482711 1210622105 /nfs/dbraw/zinc/62/21/05/1210622105.db2.gz MYTRKFVRRDLZQT-GJZGRUSLSA-N 2 1 359.474 0.730 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332196 1210661936 /nfs/dbraw/zinc/66/19/36/1210661936.db2.gz PPPXUNYPICOUKK-MSOLQXFVSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@H](CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[N@@H+](C)C1CC1 ZINC000883332316 1210662377 /nfs/dbraw/zinc/66/23/77/1210662377.db2.gz RZSXZOJHMMNXRX-OAHLLOKOSA-N 2 1 365.522 0.985 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883331900 1210662404 /nfs/dbraw/zinc/66/24/04/1210662404.db2.gz JFNAMQNIVGBXBS-OKZBNKHCSA-N 2 1 366.506 0.792 20 0 FCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426499 1210665695 /nfs/dbraw/zinc/66/56/95/1210665695.db2.gz SBDKWDKPZPVHMF-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426499 1210665703 /nfs/dbraw/zinc/66/57/03/1210665703.db2.gz SBDKWDKPZPVHMF-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883604924 1210673854 /nfs/dbraw/zinc/67/38/54/1210673854.db2.gz HODRXQXWMLWNDW-WMLDXEAASA-N 2 1 359.474 0.763 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC[NH2+]1 ZINC000883606670 1210674220 /nfs/dbraw/zinc/67/42/20/1210674220.db2.gz YUNWZXSTHIWQHG-QAPCUYQASA-N 2 1 371.485 0.730 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]1 ZINC000883606668 1210674477 /nfs/dbraw/zinc/67/44/77/1210674477.db2.gz YUNWZXSTHIWQHG-CRAIPNDOSA-N 2 1 371.485 0.730 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC[NH2+]1 ZINC000883606671 1210674502 /nfs/dbraw/zinc/67/45/02/1210674502.db2.gz YUNWZXSTHIWQHG-YJBOKZPZSA-N 2 1 371.485 0.730 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000883647850 1210679373 /nfs/dbraw/zinc/67/93/73/1210679373.db2.gz GOOCACHJFRLAQF-GOSISDBHSA-N 2 1 374.485 0.722 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000883655316 1210681103 /nfs/dbraw/zinc/68/11/03/1210681103.db2.gz AKAMSTOVBJSBFP-WMZOPIPTSA-N 2 1 374.485 0.721 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884179006 1210719447 /nfs/dbraw/zinc/71/94/47/1210719447.db2.gz BRRPSMBOEOBYMF-QGZVFWFLSA-N 2 1 359.474 0.428 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000884486388 1210737751 /nfs/dbraw/zinc/73/77/51/1210737751.db2.gz VSOWPFGBVXSAEW-YOEHRIQHSA-N 2 1 362.474 0.625 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000884488827 1210738755 /nfs/dbraw/zinc/73/87/55/1210738755.db2.gz HVHJBXZHYHYWQE-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1(C[NH3+])CCCCC1 ZINC000884507360 1210740940 /nfs/dbraw/zinc/74/09/40/1210740940.db2.gz AXZFIZKSGWOKII-UHFFFAOYSA-N 2 1 367.538 0.249 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000884508180 1210741097 /nfs/dbraw/zinc/74/10/97/1210741097.db2.gz XAOLLKNEVLLUNR-OAHLLOKOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000884553676 1210749024 /nfs/dbraw/zinc/74/90/24/1210749024.db2.gz FAROWOGXNIKZCI-COXVUDFISA-N 2 1 356.470 0.559 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000884553854 1210749421 /nfs/dbraw/zinc/74/94/21/1210749421.db2.gz IRJAGCGQCSCSFX-XJKSGUPXSA-N 2 1 356.470 0.690 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cn1 ZINC000884556823 1210750226 /nfs/dbraw/zinc/75/02/26/1210750226.db2.gz AAIJCQZXVKQOMM-HOTGVXAUSA-N 2 1 368.441 0.545 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000884560170 1210752106 /nfs/dbraw/zinc/75/21/06/1210752106.db2.gz PDAGDAFRAKDVIP-PBHICJAKSA-N 2 1 358.486 0.888 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000884576571 1210754347 /nfs/dbraw/zinc/75/43/47/1210754347.db2.gz KQPHTCHHNBVJDZ-ZTFGCOKTSA-N 2 1 358.486 0.888 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884576247 1210754928 /nfs/dbraw/zinc/75/49/28/1210754928.db2.gz CNXSYWQNKHSKTD-BZSNNMDCSA-N 2 1 356.470 0.512 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000884578310 1210756474 /nfs/dbraw/zinc/75/64/74/1210756474.db2.gz XKRCVICARJBUOX-GHTZIAJQSA-N 2 1 370.497 0.619 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884598321 1210759105 /nfs/dbraw/zinc/75/91/05/1210759105.db2.gz YGOWKOGRRCJZNI-HUUCEWRRSA-N 2 1 374.476 0.976 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884603159 1210759635 /nfs/dbraw/zinc/75/96/35/1210759635.db2.gz CPWPXHLPMKUNFQ-KRWDZBQOSA-N 2 1 374.485 0.176 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884601467 1210759651 /nfs/dbraw/zinc/75/96/51/1210759651.db2.gz MBSGKXFBZWSVFP-KBAYOESNSA-N 2 1 358.486 0.678 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884604212 1210760596 /nfs/dbraw/zinc/76/05/96/1210760596.db2.gz BSUKUGCHQMPFQV-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608415 1210761790 /nfs/dbraw/zinc/76/17/90/1210761790.db2.gz QCYWIKXAXSMZFR-ZWOKBUDYSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000884623942 1210764483 /nfs/dbraw/zinc/76/44/83/1210764483.db2.gz SLRGSOHNYDVEFL-YJBOKZPZSA-N 2 1 358.486 0.829 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000884623505 1210764585 /nfs/dbraw/zinc/76/45/85/1210764585.db2.gz FVNWWKPCRSIRII-ZBFHGGJFSA-N 2 1 364.490 0.028 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626662 1210765439 /nfs/dbraw/zinc/76/54/39/1210765439.db2.gz RHCUHHHUMILPCR-BZSNNMDCSA-N 2 1 356.470 0.560 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000884640621 1210770254 /nfs/dbraw/zinc/77/02/54/1210770254.db2.gz KVZJUIKXZQZJPP-UHFFFAOYSA-N 2 1 358.486 0.939 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@H+]1Cc1ccccc1 ZINC000884646578 1210772453 /nfs/dbraw/zinc/77/24/53/1210772453.db2.gz XLFYBALDTLBVLY-DZKDUJFISA-N 2 1 370.497 0.834 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670431 1210776145 /nfs/dbraw/zinc/77/61/45/1210776145.db2.gz ZPIOWPOJADEKDH-RCCFBDPRSA-N 2 1 356.470 0.560 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884674404 1210776682 /nfs/dbraw/zinc/77/66/82/1210776682.db2.gz VEAIUTYOFXODOP-BPQIPLTHSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688527 1210781306 /nfs/dbraw/zinc/78/13/06/1210781306.db2.gz GQPXDFLVQAMYIZ-NXHRZFHOSA-N 2 1 358.486 0.739 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884690012 1210781631 /nfs/dbraw/zinc/78/16/31/1210781631.db2.gz HQCVNKHBWFLVIL-ZWKOTPCHSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NCC[NH2+]C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884689883 1210781730 /nfs/dbraw/zinc/78/17/30/1210781730.db2.gz BXOGMYLEGGHOCJ-LAUBAEHRSA-N 2 1 370.497 0.835 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000884692991 1210782216 /nfs/dbraw/zinc/78/22/16/1210782216.db2.gz HJIAPAWXOXHYJC-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000884699007 1210783119 /nfs/dbraw/zinc/78/31/19/1210783119.db2.gz WEANZAVGLNJGBN-WMLDXEAASA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000884699007 1210783124 /nfs/dbraw/zinc/78/31/24/1210783124.db2.gz WEANZAVGLNJGBN-WMLDXEAASA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000884703478 1210783500 /nfs/dbraw/zinc/78/35/00/1210783500.db2.gz AUKZBBOSOFOQLO-WBVHZDCISA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000884703478 1210783501 /nfs/dbraw/zinc/78/35/01/1210783501.db2.gz AUKZBBOSOFOQLO-WBVHZDCISA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000884697900 1210783988 /nfs/dbraw/zinc/78/39/88/1210783988.db2.gz GNHZWWXZPSYYAN-WBVHZDCISA-N 2 1 362.474 0.023 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000884697900 1210783996 /nfs/dbraw/zinc/78/39/96/1210783996.db2.gz GNHZWWXZPSYYAN-WBVHZDCISA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000884714830 1210786051 /nfs/dbraw/zinc/78/60/51/1210786051.db2.gz BNXAZICIFAAYDQ-KRWDZBQOSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000884714830 1210786058 /nfs/dbraw/zinc/78/60/58/1210786058.db2.gz BNXAZICIFAAYDQ-KRWDZBQOSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000884716276 1210786851 /nfs/dbraw/zinc/78/68/51/1210786851.db2.gz SYGGWVJHUBFJJS-ROUUACIJSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000884716610 1210786881 /nfs/dbraw/zinc/78/68/81/1210786881.db2.gz CWUXWPSBQNTYNR-RYQLBKOJSA-N 2 1 358.486 0.800 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884722657 1210789505 /nfs/dbraw/zinc/78/95/05/1210789505.db2.gz GTNZXWOFGVGQNF-JZXOWHBKSA-N 2 1 360.502 0.985 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000884832811 1210799717 /nfs/dbraw/zinc/79/97/17/1210799717.db2.gz AMCVGWZWAJXPBQ-BURFUSLBSA-N 2 1 358.486 0.676 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[NH2+]C1 ZINC000884885178 1210802824 /nfs/dbraw/zinc/80/28/24/1210802824.db2.gz UYRRNRUYDIWSFU-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[NH2+]C1 ZINC000884885176 1210802868 /nfs/dbraw/zinc/80/28/68/1210802868.db2.gz UYRRNRUYDIWSFU-CVEARBPZSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000884982444 1210806493 /nfs/dbraw/zinc/80/64/93/1210806493.db2.gz BXHNBFIDQQPPQY-BRWVUGGUSA-N 2 1 362.449 0.583 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884984243 1210806968 /nfs/dbraw/zinc/80/69/68/1210806968.db2.gz SXWQVEQSHOQRTF-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884984243 1210806970 /nfs/dbraw/zinc/80/69/70/1210806970.db2.gz SXWQVEQSHOQRTF-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH3+])CC3)C2)cc1 ZINC000884983305 1210807054 /nfs/dbraw/zinc/80/70/54/1210807054.db2.gz QDEOSHUGKHIEHL-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983096 1210807194 /nfs/dbraw/zinc/80/71/94/1210807194.db2.gz NUPBKOLYNRZZAX-RXVVDRJESA-N 2 1 370.497 0.898 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139615 1210811773 /nfs/dbraw/zinc/81/17/73/1210811773.db2.gz KGKCLPMOEUJKCV-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143722 1210812039 /nfs/dbraw/zinc/81/20/39/1210812039.db2.gz MXOPLXHZUXAAPI-CVEARBPZSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143722 1210812040 /nfs/dbraw/zinc/81/20/40/1210812040.db2.gz MXOPLXHZUXAAPI-CVEARBPZSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167678 1210814365 /nfs/dbraw/zinc/81/43/65/1210814365.db2.gz ORSYMDMASDIFID-ROUUACIJSA-N 2 1 358.486 0.758 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885163035 1210814381 /nfs/dbraw/zinc/81/43/81/1210814381.db2.gz WWYUAVRLZGHWGZ-QAPCUYQASA-N 2 1 358.486 0.617 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292139 1210817382 /nfs/dbraw/zinc/81/73/82/1210817382.db2.gz RLCQLWDOHOLBJU-GJZGRUSLSA-N 2 1 372.460 0.538 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000886415634 1210829344 /nfs/dbraw/zinc/82/93/44/1210829344.db2.gz KEZLZFGOAHZPRE-NRFANRHFSA-N 2 1 374.529 0.767 20 0 FCADMP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCOC1 ZINC000886904127 1210839469 /nfs/dbraw/zinc/83/94/69/1210839469.db2.gz PFBQHFSKDPZXLX-KURKYZTESA-N 2 1 371.522 0.491 20 0 FCADMP COC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCOC1 ZINC000886904128 1210839740 /nfs/dbraw/zinc/83/97/40/1210839740.db2.gz PFBQHFSKDPZXLX-SQNIBIBYSA-N 2 1 371.522 0.491 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066276 1210844922 /nfs/dbraw/zinc/84/49/22/1210844922.db2.gz IHJNXUHUOVFSBY-SFHVURJKSA-N 2 1 358.486 0.584 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180271 1210906430 /nfs/dbraw/zinc/90/64/30/1210906430.db2.gz VUNPVPXBTROLRO-DOTOQJQBSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001274204369 1210912534 /nfs/dbraw/zinc/91/25/34/1210912534.db2.gz UMQVCYWTAVMGTQ-CALCHBBNSA-N 2 1 361.490 0.537 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)N1CC[C@@H]3[C@H]1CCC[N@H+]3CCO)n2C ZINC000889760409 1210947943 /nfs/dbraw/zinc/94/79/43/1210947943.db2.gz FYWFYQHYICFVSQ-HUUCEWRRSA-N 2 1 372.473 0.706 20 0 FCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000890069683 1210962490 /nfs/dbraw/zinc/96/24/90/1210962490.db2.gz JPGMZILJKRLXAG-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000890069683 1210962492 /nfs/dbraw/zinc/96/24/92/1210962492.db2.gz JPGMZILJKRLXAG-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000890057772 1210962962 /nfs/dbraw/zinc/96/29/62/1210962962.db2.gz NIVYQMQUIVDDEX-SFHVURJKSA-N 2 1 373.501 0.930 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707597 1210984825 /nfs/dbraw/zinc/98/48/25/1210984825.db2.gz ZCMVQKSBOUPRRF-ZWKOTPCHSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707597 1210984830 /nfs/dbraw/zinc/98/48/30/1210984830.db2.gz ZCMVQKSBOUPRRF-ZWKOTPCHSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707597 1210984832 /nfs/dbraw/zinc/98/48/32/1210984832.db2.gz ZCMVQKSBOUPRRF-ZWKOTPCHSA-N 2 1 374.485 0.331 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174707597 1210984835 /nfs/dbraw/zinc/98/48/35/1210984835.db2.gz ZCMVQKSBOUPRRF-ZWKOTPCHSA-N 2 1 374.485 0.331 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCn2ccnc2)CC1 ZINC001274370873 1211039233 /nfs/dbraw/zinc/03/92/33/1211039233.db2.gz SWGPQXWLUVZQQJ-ROUUACIJSA-N 2 1 360.506 0.196 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001274401229 1211045326 /nfs/dbraw/zinc/04/53/26/1211045326.db2.gz OUQFKWLXHODYJH-DLBZAZTESA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC2=O)COCC[N@@H+](CC2CC2)C3)CC1 ZINC001275124512 1211176545 /nfs/dbraw/zinc/17/65/45/1211176545.db2.gz VXHWSMMVFJLQBZ-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC2=O)COCC[N@H+](CC2CC2)C3)CC1 ZINC001275124512 1211176547 /nfs/dbraw/zinc/17/65/47/1211176547.db2.gz VXHWSMMVFJLQBZ-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC2=O)COCC[N@@H+](CC2CC2)C3)CC1 ZINC001275124512 1211176548 /nfs/dbraw/zinc/17/65/48/1211176548.db2.gz VXHWSMMVFJLQBZ-FQEVSTJZSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4nonc43)C2)OCC1=O ZINC001275180238 1211192700 /nfs/dbraw/zinc/19/27/00/1211192700.db2.gz XZBPMCOWWKIDFN-GOSISDBHSA-N 2 1 359.430 0.588 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275443355 1211238633 /nfs/dbraw/zinc/23/86/33/1211238633.db2.gz QASDKNOGZYMHOS-IBGZPJMESA-N 2 1 359.474 0.787 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275443355 1211238635 /nfs/dbraw/zinc/23/86/35/1211238635.db2.gz QASDKNOGZYMHOS-IBGZPJMESA-N 2 1 359.474 0.787 20 0 FCADMP CCc1nccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275454433 1211240924 /nfs/dbraw/zinc/24/09/24/1211240924.db2.gz WXHROTPQIMTMGY-LJQANCHMSA-N 2 1 361.490 0.652 20 0 FCADMP CCc1nccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001275454433 1211240927 /nfs/dbraw/zinc/24/09/27/1211240927.db2.gz WXHROTPQIMTMGY-LJQANCHMSA-N 2 1 361.490 0.652 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555920 1211255776 /nfs/dbraw/zinc/25/57/76/1211255776.db2.gz DTFRYERJBIQJDQ-IBGZPJMESA-N 2 1 364.490 0.305 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)CC1 ZINC001275556658 1211256321 /nfs/dbraw/zinc/25/63/21/1211256321.db2.gz NMUZHBROUDIJHZ-HXUWFJFHSA-N 2 1 364.534 0.585 20 0 FCADMP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737568 1211278757 /nfs/dbraw/zinc/27/87/57/1211278757.db2.gz LNRDOTCZKBRFMV-IFXJQAMLSA-N 2 1 365.474 0.779 20 0 FCADMP O=C1CC[C@H](CN2C(=O)C[C@]3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736144 1211278863 /nfs/dbraw/zinc/27/88/63/1211278863.db2.gz CDXWWHFJQIKOKZ-BEFAXECRSA-N 2 1 362.474 0.106 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742132 1211279625 /nfs/dbraw/zinc/27/96/25/1211279625.db2.gz BBSFHEMVKBZQTQ-APWZRJJASA-N 2 1 366.506 0.286 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742134 1211279794 /nfs/dbraw/zinc/27/97/94/1211279794.db2.gz BBSFHEMVKBZQTQ-LPHOPBHVSA-N 2 1 366.506 0.286 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800806 1211285604 /nfs/dbraw/zinc/28/56/04/1211285604.db2.gz HIJWHIPFGXBVSH-FGTMMUONSA-N 2 1 361.490 0.120 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800806 1211285606 /nfs/dbraw/zinc/28/56/06/1211285606.db2.gz HIJWHIPFGXBVSH-FGTMMUONSA-N 2 1 361.490 0.120 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275800806 1211285609 /nfs/dbraw/zinc/28/56/09/1211285609.db2.gz HIJWHIPFGXBVSH-FGTMMUONSA-N 2 1 361.490 0.120 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC2=O)CCCCN3CC[NH+](C)C)CC1 ZINC001275841768 1211296170 /nfs/dbraw/zinc/29/61/70/1211296170.db2.gz DGVHOCRMGXVOMP-HXUWFJFHSA-N 2 1 365.566 0.643 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877717 1211303697 /nfs/dbraw/zinc/30/36/97/1211303697.db2.gz FPEGFBBMFKTDJA-TXPKVOOTSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877717 1211303700 /nfs/dbraw/zinc/30/37/00/1211303700.db2.gz FPEGFBBMFKTDJA-TXPKVOOTSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877717 1211303703 /nfs/dbraw/zinc/30/37/03/1211303703.db2.gz FPEGFBBMFKTDJA-TXPKVOOTSA-N 2 1 367.490 0.441 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878821 1211306055 /nfs/dbraw/zinc/30/60/55/1211306055.db2.gz LYGKWEMZNWUHJF-IEBWSBKVSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275878821 1211306061 /nfs/dbraw/zinc/30/60/61/1211306061.db2.gz LYGKWEMZNWUHJF-IEBWSBKVSA-N 2 1 369.506 0.500 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878821 1211306063 /nfs/dbraw/zinc/30/60/63/1211306063.db2.gz LYGKWEMZNWUHJF-IEBWSBKVSA-N 2 1 369.506 0.500 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275878830 1211306145 /nfs/dbraw/zinc/30/61/45/1211306145.db2.gz LYHFNENJEVUCSB-LJQANCHMSA-N 2 1 366.506 0.158 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc2c(c1)OCCO2 ZINC001275967724 1211318815 /nfs/dbraw/zinc/31/88/15/1211318815.db2.gz YNDPIKGABVNNGL-HZPDHXFCSA-N 2 1 360.458 0.980 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc2c(c1)OCCO2 ZINC001275967724 1211318819 /nfs/dbraw/zinc/31/88/19/1211318819.db2.gz YNDPIKGABVNNGL-HZPDHXFCSA-N 2 1 360.458 0.980 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001095438021 1211341331 /nfs/dbraw/zinc/34/13/31/1211341331.db2.gz UVGLBSFBOJAJNM-XABWRGDLSA-N 2 1 358.486 0.947 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(O)cc(O)c1)C2 ZINC001276106841 1211354740 /nfs/dbraw/zinc/35/47/40/1211354740.db2.gz NPFLPNVXGLQVAU-IBGZPJMESA-N 2 1 363.458 0.710 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(O)cc(O)c1)C2 ZINC001276106841 1211354741 /nfs/dbraw/zinc/35/47/41/1211354741.db2.gz NPFLPNVXGLQVAU-IBGZPJMESA-N 2 1 363.458 0.710 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000926353047 1211537957 /nfs/dbraw/zinc/53/79/57/1211537957.db2.gz IEQAHHSBZIRTOD-QRVBRYPASA-N 2 1 370.497 0.774 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927637981 1211576850 /nfs/dbraw/zinc/57/68/50/1211576850.db2.gz KGJOUUSWWHQMBJ-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927637981 1211576856 /nfs/dbraw/zinc/57/68/56/1211576856.db2.gz KGJOUUSWWHQMBJ-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637981 1211576863 /nfs/dbraw/zinc/57/68/63/1211576863.db2.gz KGJOUUSWWHQMBJ-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927637981 1211576867 /nfs/dbraw/zinc/57/68/67/1211576867.db2.gz KGJOUUSWWHQMBJ-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636412 1211577611 /nfs/dbraw/zinc/57/76/11/1211577611.db2.gz FNDJTFLQBZBBRR-NVXWUHKLSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636412 1211577614 /nfs/dbraw/zinc/57/76/14/1211577614.db2.gz FNDJTFLQBZBBRR-NVXWUHKLSA-N 2 1 368.522 0.726 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000927644389 1211579030 /nfs/dbraw/zinc/57/90/30/1211579030.db2.gz MURPIZSGBZEPBX-AEFFLSMTSA-N 2 1 366.506 0.603 20 0 FCADMP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]CCC[NH3+] ZINC001221337364 1225300000 /nfs/dbraw/zinc/30/00/00/1225300000.db2.gz OXMILALHYWONSC-GJZGRUSLSA-N 2 1 372.510 0.160 20 0 FCADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221356705 1225301859 /nfs/dbraw/zinc/30/18/59/1225301859.db2.gz CGMPDQKZTCEYNF-BZSNNMDCSA-N 2 1 366.550 0.923 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001110948590 1211609583 /nfs/dbraw/zinc/60/95/83/1211609583.db2.gz BYLQJUQVSHLVPN-IDCNUPLLSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001110948590 1211609587 /nfs/dbraw/zinc/60/95/87/1211609587.db2.gz BYLQJUQVSHLVPN-IDCNUPLLSA-N 2 1 362.474 0.484 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)N1CCCC1 ZINC000929178927 1211621136 /nfs/dbraw/zinc/62/11/36/1211621136.db2.gz BNYMWBNMIQITSJ-DOTOQJQBSA-N 2 1 374.485 0.769 20 0 FCADMP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCN2C)N2CCCC2)c1 ZINC000929199644 1211622660 /nfs/dbraw/zinc/62/26/60/1211622660.db2.gz BTQOWACCGYUEFN-WMZOPIPTSA-N 2 1 374.485 0.769 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000929662318 1211653905 /nfs/dbraw/zinc/65/39/05/1211653905.db2.gz YJUFISCQMIRXMC-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000929662318 1211653913 /nfs/dbraw/zinc/65/39/13/1211653913.db2.gz YJUFISCQMIRXMC-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000929662318 1211653919 /nfs/dbraw/zinc/65/39/19/1211653919.db2.gz YJUFISCQMIRXMC-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000929662318 1211653924 /nfs/dbraw/zinc/65/39/24/1211653924.db2.gz YJUFISCQMIRXMC-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000930958244 1211731723 /nfs/dbraw/zinc/73/17/23/1211731723.db2.gz LEFJQQVVMIFUOB-SJORKVTESA-N 2 1 359.474 0.897 20 0 FCADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485017 1211757842 /nfs/dbraw/zinc/75/78/42/1211757842.db2.gz USVUOLQLGJRQQP-OAHLLOKOSA-N 2 1 362.474 0.789 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3C(=O)NCC3(C)C)cc2)CC1 ZINC000931651129 1211768274 /nfs/dbraw/zinc/76/82/74/1211768274.db2.gz GJHMFKWHTKDROU-GOSISDBHSA-N 2 1 373.501 0.881 20 0 FCADMP C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931657354 1211769052 /nfs/dbraw/zinc/76/90/52/1211769052.db2.gz FMZUCLNCTTYRND-USXIJHARSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931657354 1211769053 /nfs/dbraw/zinc/76/90/53/1211769053.db2.gz FMZUCLNCTTYRND-USXIJHARSA-N 2 1 358.486 0.880 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001111018572 1211774472 /nfs/dbraw/zinc/77/44/72/1211774472.db2.gz ZSFFBFCVSXELQI-NCOADZHNSA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](CC)CC ZINC001111018572 1211774473 /nfs/dbraw/zinc/77/44/73/1211774473.db2.gz ZSFFBFCVSXELQI-NCOADZHNSA-N 2 1 365.522 0.854 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111039028 1211818727 /nfs/dbraw/zinc/81/87/27/1211818727.db2.gz VLHBQZMUCRAEJC-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111039028 1211818728 /nfs/dbraw/zinc/81/87/28/1211818728.db2.gz VLHBQZMUCRAEJC-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]c1 ZINC000932801676 1211822590 /nfs/dbraw/zinc/82/25/90/1211822590.db2.gz DUVMSWACIQFXFO-MRXNPFEDSA-N 2 1 359.474 0.862 20 0 FCADMP O=C1NC[C@@H](O)CC12CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831162 1211824382 /nfs/dbraw/zinc/82/43/82/1211824382.db2.gz HSPVHMPKFJTKIF-GHTZIAJQSA-N 2 1 373.497 0.586 20 0 FCADMP O=C1NC[C@@H](O)CC12CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831162 1211824384 /nfs/dbraw/zinc/82/43/84/1211824384.db2.gz HSPVHMPKFJTKIF-GHTZIAJQSA-N 2 1 373.497 0.586 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933850517 1211848707 /nfs/dbraw/zinc/84/87/07/1211848707.db2.gz IFULUZDTFKETOA-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1=O ZINC001111150459 1211900766 /nfs/dbraw/zinc/90/07/66/1211900766.db2.gz NKGWWFSMEFANPJ-KURKYZTESA-N 2 1 374.485 0.329 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)cc1=O ZINC001111150459 1211900768 /nfs/dbraw/zinc/90/07/68/1211900768.db2.gz NKGWWFSMEFANPJ-KURKYZTESA-N 2 1 374.485 0.329 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229103 1211935012 /nfs/dbraw/zinc/93/50/12/1211935012.db2.gz WOBUJSCKRFRKKG-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229103 1211935016 /nfs/dbraw/zinc/93/50/16/1211935016.db2.gz WOBUJSCKRFRKKG-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229103 1211935018 /nfs/dbraw/zinc/93/50/18/1211935018.db2.gz WOBUJSCKRFRKKG-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111229103 1211935022 /nfs/dbraw/zinc/93/50/22/1211935022.db2.gz WOBUJSCKRFRKKG-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229103 1211935025 /nfs/dbraw/zinc/93/50/25/1211935025.db2.gz WOBUJSCKRFRKKG-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)[C@@H](O)C2)CC[N@H+]1C ZINC000968604233 1212042330 /nfs/dbraw/zinc/04/23/30/1212042330.db2.gz DDAAYNRZJIASOS-ZPUIDXCVSA-N 2 1 371.441 0.205 20 0 FCADMP O=C(NC[C@@H]1CCCCC[N@@H+]1CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962357 1212202403 /nfs/dbraw/zinc/20/24/03/1212202403.db2.gz APFOUIBVXXRSSK-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cc1=O ZINC001111277465 1212204167 /nfs/dbraw/zinc/20/41/67/1212204167.db2.gz SWQRUBLAUTXMCC-ZACQAIPSSA-N 2 1 362.474 0.185 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001111279880 1212224723 /nfs/dbraw/zinc/22/47/23/1212224723.db2.gz KGUBBVZSMTUVGN-QXSJWSMHSA-N 2 1 362.478 0.065 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280892 1212232340 /nfs/dbraw/zinc/23/23/40/1212232340.db2.gz AFJJBXGNAQYKHO-HZMVEIRTSA-N 2 1 368.522 0.543 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280892 1212232343 /nfs/dbraw/zinc/23/23/43/1212232343.db2.gz AFJJBXGNAQYKHO-HZMVEIRTSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC000969071965 1212255526 /nfs/dbraw/zinc/25/55/26/1212255526.db2.gz PJPQQKQBUUZQMQ-KBRIMQKVSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)O1 ZINC000969071965 1212255531 /nfs/dbraw/zinc/25/55/31/1212255531.db2.gz PJPQQKQBUUZQMQ-KBRIMQKVSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000949113838 1212297359 /nfs/dbraw/zinc/29/73/59/1212297359.db2.gz YIWQUTHYTGFIBP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000949113838 1212297364 /nfs/dbraw/zinc/29/73/64/1212297364.db2.gz YIWQUTHYTGFIBP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000949113838 1212297369 /nfs/dbraw/zinc/29/73/69/1212297369.db2.gz YIWQUTHYTGFIBP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000949113838 1212297377 /nfs/dbraw/zinc/29/73/77/1212297377.db2.gz YIWQUTHYTGFIBP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007186136 1212418556 /nfs/dbraw/zinc/41/85/56/1212418556.db2.gz OBQSVBLOLBFAMZ-YRNRMSPPSA-N 2 1 360.502 0.674 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001007478647 1212501538 /nfs/dbraw/zinc/50/15/38/1212501538.db2.gz AEQDYILYOYHZTN-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001007478647 1212501542 /nfs/dbraw/zinc/50/15/42/1212501542.db2.gz AEQDYILYOYHZTN-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)CC[N@H+]1C ZINC001007519820 1212516265 /nfs/dbraw/zinc/51/62/65/1212516265.db2.gz HIWNAIAEKPDRKX-WOYCLPQFSA-N 2 1 374.529 0.920 20 0 FCADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000779367338 1212531392 /nfs/dbraw/zinc/53/13/92/1212531392.db2.gz FTTWLOFGAQUJKW-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000779367338 1212531396 /nfs/dbraw/zinc/53/13/96/1212531396.db2.gz FTTWLOFGAQUJKW-HXUWFJFHSA-N 2 1 361.486 0.804 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221585097 1225381319 /nfs/dbraw/zinc/38/13/19/1225381319.db2.gz TUZOGDCUJCNNIM-BRWVUGGUSA-N 2 1 368.497 0.821 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221585097 1225381324 /nfs/dbraw/zinc/38/13/24/1225381324.db2.gz TUZOGDCUJCNNIM-BRWVUGGUSA-N 2 1 368.497 0.821 20 0 FCADMP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001007946872 1212604867 /nfs/dbraw/zinc/60/48/67/1212604867.db2.gz RJSPBXVOGPZVGJ-DOXZYTNZSA-N 2 1 359.474 0.710 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813303 1212663932 /nfs/dbraw/zinc/66/39/32/1212663932.db2.gz MMNFJUYQTOHASP-WCZJQEMASA-N 2 1 358.486 1.000 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813303 1212663935 /nfs/dbraw/zinc/66/39/35/1212663935.db2.gz MMNFJUYQTOHASP-WCZJQEMASA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC2CC[NH+](C)CC2)O1 ZINC000950788914 1212671965 /nfs/dbraw/zinc/67/19/65/1212671965.db2.gz NYIOREKBFRJZRY-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC2CC[NH+](C)CC2)O1 ZINC000950788914 1212671968 /nfs/dbraw/zinc/67/19/68/1212671968.db2.gz NYIOREKBFRJZRY-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001008358748 1212684236 /nfs/dbraw/zinc/68/42/36/1212684236.db2.gz XVKOCSZSRGMLCP-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)CC[N@H+]1C ZINC001008361305 1212685045 /nfs/dbraw/zinc/68/50/45/1212685045.db2.gz AYBBBTQAHPRLEM-OAGGEKHMSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)CC[N@@H+]1C ZINC000952410199 1212948884 /nfs/dbraw/zinc/94/88/84/1212948884.db2.gz VRSLACQZZIOYDN-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)CC[N@H+]1C ZINC000952410199 1212948890 /nfs/dbraw/zinc/94/88/90/1212948890.db2.gz VRSLACQZZIOYDN-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000954096318 1213039507 /nfs/dbraw/zinc/03/95/07/1213039507.db2.gz NJGUCLTUSLLLEV-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001007191449 1213040371 /nfs/dbraw/zinc/04/03/71/1213040371.db2.gz ZANUKHHQHANPME-ZWOKBUDYSA-N 2 1 362.518 0.920 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221658917 1225422772 /nfs/dbraw/zinc/42/27/72/1225422772.db2.gz ATJAZJQIUAGCGY-BPQIPLTHSA-N 2 1 371.485 0.719 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221658917 1225422778 /nfs/dbraw/zinc/42/27/78/1225422778.db2.gz ATJAZJQIUAGCGY-BPQIPLTHSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000955345920 1213141586 /nfs/dbraw/zinc/14/15/86/1213141586.db2.gz GMYOKTBKEKHWIN-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000955345920 1213141587 /nfs/dbraw/zinc/14/15/87/1213141587.db2.gz GMYOKTBKEKHWIN-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000955345920 1213141588 /nfs/dbraw/zinc/14/15/88/1213141588.db2.gz GMYOKTBKEKHWIN-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000955345920 1213141590 /nfs/dbraw/zinc/14/15/90/1213141590.db2.gz GMYOKTBKEKHWIN-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000956101279 1213172791 /nfs/dbraw/zinc/17/27/91/1213172791.db2.gz BRUYXYDJBDRRBL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000956101279 1213172793 /nfs/dbraw/zinc/17/27/93/1213172793.db2.gz BRUYXYDJBDRRBL-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000956386363 1213189681 /nfs/dbraw/zinc/18/96/81/1213189681.db2.gz DDFWJNMTOVKCOK-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000956386363 1213189682 /nfs/dbraw/zinc/18/96/82/1213189682.db2.gz DDFWJNMTOVKCOK-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000956386363 1213189683 /nfs/dbraw/zinc/18/96/83/1213189683.db2.gz DDFWJNMTOVKCOK-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000956386363 1213189684 /nfs/dbraw/zinc/18/96/84/1213189684.db2.gz DDFWJNMTOVKCOK-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000957064697 1213241927 /nfs/dbraw/zinc/24/19/27/1213241927.db2.gz HEWNAHJREASLDK-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000957223514 1213275774 /nfs/dbraw/zinc/27/57/74/1213275774.db2.gz UCSFKNBHEODMSP-HBUWYVDXSA-N 2 1 357.458 0.716 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221692911 1225444325 /nfs/dbraw/zinc/44/43/25/1225444325.db2.gz RLJHZVAUDHCOLA-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221692911 1225444328 /nfs/dbraw/zinc/44/43/28/1225444328.db2.gz RLJHZVAUDHCOLA-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000959655162 1213485941 /nfs/dbraw/zinc/48/59/41/1213485941.db2.gz RSHHEBBAMZAGPP-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccnc(OC)n4)C[C@H]32)CC[N@@H+]1C ZINC000959969480 1213565760 /nfs/dbraw/zinc/56/57/60/1213565760.db2.gz XNGHOBRKTQNXPF-FIDHJVLJSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccnc(OC)n4)C[C@H]32)CC[N@H+]1C ZINC000959969480 1213565762 /nfs/dbraw/zinc/56/57/62/1213565762.db2.gz XNGHOBRKTQNXPF-FIDHJVLJSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccnc(OC)n4)C[C@H]32)CC[NH+]1C ZINC000959969480 1213565764 /nfs/dbraw/zinc/56/57/64/1213565764.db2.gz XNGHOBRKTQNXPF-FIDHJVLJSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccnc(OC)n4)C[C@H]32)CC[NH+]1C ZINC000959969480 1213565766 /nfs/dbraw/zinc/56/57/66/1213565766.db2.gz XNGHOBRKTQNXPF-FIDHJVLJSA-N 2 1 359.474 0.762 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(=O)[nH]c(C5CC5)n4)C[C@H]32)CC[N@H+]1C ZINC000959970091 1213566451 /nfs/dbraw/zinc/56/64/51/1213566451.db2.gz ZHESTMNERNOAFV-WDPJMHHHSA-N 2 1 371.485 0.946 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(=O)[nH]c(C5CC5)n4)C[C@H]32)CC[NH+]1C ZINC000959970091 1213566453 /nfs/dbraw/zinc/56/64/53/1213566453.db2.gz ZHESTMNERNOAFV-WDPJMHHHSA-N 2 1 371.485 0.946 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(=O)[nH]c(C5CC5)n4)C[C@H]32)CC[NH+]1C ZINC000959970091 1213566456 /nfs/dbraw/zinc/56/64/56/1213566456.db2.gz ZHESTMNERNOAFV-WDPJMHHHSA-N 2 1 371.485 0.946 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ncn1 ZINC000960048455 1213595146 /nfs/dbraw/zinc/59/51/46/1213595146.db2.gz ZGQHKDCRZNCZKN-BPQIPLTHSA-N 2 1 361.490 0.975 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001011208776 1213849252 /nfs/dbraw/zinc/84/92/52/1213849252.db2.gz OHGIXAZUHJUZCY-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001011208776 1213849255 /nfs/dbraw/zinc/84/92/55/1213849255.db2.gz OHGIXAZUHJUZCY-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001011208776 1213849257 /nfs/dbraw/zinc/84/92/57/1213849257.db2.gz OHGIXAZUHJUZCY-FGTMMUONSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC[N@H+]1C ZINC001011209900 1213849988 /nfs/dbraw/zinc/84/99/88/1213849988.db2.gz YUTMVQKRBFYTHL-RHSMWYFYSA-N 2 1 355.442 0.959 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813429 1225488663 /nfs/dbraw/zinc/48/86/63/1225488663.db2.gz JNNXNZLJCFSLIF-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813429 1225488667 /nfs/dbraw/zinc/48/86/67/1225488667.db2.gz JNNXNZLJCFSLIF-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813429 1225488672 /nfs/dbraw/zinc/48/86/72/1225488672.db2.gz JNNXNZLJCFSLIF-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813429 1225488677 /nfs/dbraw/zinc/48/86/77/1225488677.db2.gz JNNXNZLJCFSLIF-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014452511 1213955501 /nfs/dbraw/zinc/95/55/01/1213955501.db2.gz QGRCGNKWEQRKHJ-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014452511 1213955508 /nfs/dbraw/zinc/95/55/08/1213955508.db2.gz QGRCGNKWEQRKHJ-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818167 1225490193 /nfs/dbraw/zinc/49/01/93/1225490193.db2.gz IJEUWYDDJDOHDW-BFHYXJOUSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818167 1225490195 /nfs/dbraw/zinc/49/01/95/1225490195.db2.gz IJEUWYDDJDOHDW-BFHYXJOUSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818167 1225490198 /nfs/dbraw/zinc/49/01/98/1225490198.db2.gz IJEUWYDDJDOHDW-BFHYXJOUSA-N 2 1 367.494 0.080 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818167 1225490199 /nfs/dbraw/zinc/49/01/99/1225490199.db2.gz IJEUWYDDJDOHDW-BFHYXJOUSA-N 2 1 367.494 0.080 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001276825475 1225496115 /nfs/dbraw/zinc/49/61/15/1225496115.db2.gz UIFOVXZZROBOPL-APWZRJJASA-N 2 1 364.490 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCn2cncn2)CC3)CC[N@H+]1C ZINC001016631114 1214025084 /nfs/dbraw/zinc/02/50/84/1214025084.db2.gz NIPAVDKFDHNSPF-GVDBMIGSSA-N 2 1 360.506 0.979 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221846937 1225504547 /nfs/dbraw/zinc/50/45/47/1225504547.db2.gz SYWVKYSGFZKLLX-BRWVUGGUSA-N 2 1 364.490 0.937 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221846937 1225504552 /nfs/dbraw/zinc/50/45/52/1225504552.db2.gz SYWVKYSGFZKLLX-BRWVUGGUSA-N 2 1 364.490 0.937 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001221849121 1225505188 /nfs/dbraw/zinc/50/51/88/1225505188.db2.gz XQNBORMKERMDCY-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001221849121 1225505190 /nfs/dbraw/zinc/50/51/90/1225505190.db2.gz XQNBORMKERMDCY-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC001019032034 1214181569 /nfs/dbraw/zinc/18/15/69/1214181569.db2.gz BDYDMJPDZRZPJM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC001019032034 1214181576 /nfs/dbraw/zinc/18/15/76/1214181576.db2.gz BDYDMJPDZRZPJM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC001019032070 1214182279 /nfs/dbraw/zinc/18/22/79/1214182279.db2.gz DBAUFBZDEFYAEA-HACGYAERSA-N 2 1 359.430 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC001019032070 1214182281 /nfs/dbraw/zinc/18/22/81/1214182281.db2.gz DBAUFBZDEFYAEA-HACGYAERSA-N 2 1 359.430 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)CC[N@H+]1C ZINC000961665488 1214261453 /nfs/dbraw/zinc/26/14/53/1214261453.db2.gz UOWIGHVBIVVYPE-NRSFXHEJSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC001020287982 1214328845 /nfs/dbraw/zinc/32/88/45/1214328845.db2.gz UINRRJYAVYMWGD-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCCC3)C2)O1 ZINC001020287982 1214328856 /nfs/dbraw/zinc/32/88/56/1214328856.db2.gz UINRRJYAVYMWGD-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001020288100 1214329187 /nfs/dbraw/zinc/32/91/87/1214329187.db2.gz ZIFXYPKXYFFOHP-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001020288100 1214329196 /nfs/dbraw/zinc/32/91/96/1214329196.db2.gz ZIFXYPKXYFFOHP-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000961856998 1214336781 /nfs/dbraw/zinc/33/67/81/1214336781.db2.gz RRBAVPFZDZCYPW-PFSRBDOWSA-N 2 1 364.494 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000961856998 1214336791 /nfs/dbraw/zinc/33/67/91/1214336791.db2.gz RRBAVPFZDZCYPW-PFSRBDOWSA-N 2 1 364.494 0.850 20 0 FCADMP COc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947019 1225546348 /nfs/dbraw/zinc/54/63/48/1225546348.db2.gz NSGQJWFMCBIHGA-NVXWUHKLSA-N 2 1 362.474 0.701 20 0 FCADMP COc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947019 1225546351 /nfs/dbraw/zinc/54/63/51/1225546351.db2.gz NSGQJWFMCBIHGA-NVXWUHKLSA-N 2 1 362.474 0.701 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949585 1225548147 /nfs/dbraw/zinc/54/81/47/1225548147.db2.gz CJPBJVDSJIEZGB-GVDBMIGSSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949585 1225548152 /nfs/dbraw/zinc/54/81/52/1225548152.db2.gz CJPBJVDSJIEZGB-GVDBMIGSSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnn(C)c3)CC2)O1 ZINC000963551869 1214820777 /nfs/dbraw/zinc/82/07/77/1214820777.db2.gz UJCHFMTVCNDTKJ-AGERRDQYSA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnn(C)c3)CC2)O1 ZINC000963551869 1214820783 /nfs/dbraw/zinc/82/07/83/1214820783.db2.gz UJCHFMTVCNDTKJ-AGERRDQYSA-N 2 1 363.506 0.998 20 0 FCADMP CCN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC000963829710 1214859878 /nfs/dbraw/zinc/85/98/78/1214859878.db2.gz CYHIICGKXZTFER-DDFPFOKPSA-N 2 1 362.518 0.964 20 0 FCADMP O=C(NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000964016578 1214887300 /nfs/dbraw/zinc/88/73/00/1214887300.db2.gz LUJOMFBAYMPDKQ-MSDCIPNDSA-N 2 1 371.441 0.335 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000964211570 1214914680 /nfs/dbraw/zinc/91/46/80/1214914680.db2.gz KIAPWUDATMIHKM-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001222016497 1225577729 /nfs/dbraw/zinc/57/77/29/1225577729.db2.gz MZDDANHNRKYEQP-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001222016497 1225577733 /nfs/dbraw/zinc/57/77/33/1225577733.db2.gz MZDDANHNRKYEQP-KZNAEPCWSA-N 2 1 362.474 0.920 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001222046465 1225589374 /nfs/dbraw/zinc/58/93/74/1225589374.db2.gz FFPJBLGYHXEPPZ-IAGOWNOFSA-N 2 1 363.506 0.420 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]21 ZINC001222051486 1225590456 /nfs/dbraw/zinc/59/04/56/1225590456.db2.gz YJQPXBXVLXBCAY-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222051486 1225590464 /nfs/dbraw/zinc/59/04/64/1225590464.db2.gz YJQPXBXVLXBCAY-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222051486 1225590467 /nfs/dbraw/zinc/59/04/67/1225590467.db2.gz YJQPXBXVLXBCAY-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222051486 1225590470 /nfs/dbraw/zinc/59/04/70/1225590470.db2.gz YJQPXBXVLXBCAY-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049729 1225590971 /nfs/dbraw/zinc/59/09/71/1225590971.db2.gz JESOSILFMYLBDG-RRFJBIMHSA-N 2 1 367.494 0.094 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093866 1225599033 /nfs/dbraw/zinc/59/90/33/1225599033.db2.gz RIKUWVVUDJMSNR-CEXWTWQISA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093866 1225599037 /nfs/dbraw/zinc/59/90/37/1225599037.db2.gz RIKUWVVUDJMSNR-CEXWTWQISA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093866 1225599041 /nfs/dbraw/zinc/59/90/41/1225599041.db2.gz RIKUWVVUDJMSNR-CEXWTWQISA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093866 1225599043 /nfs/dbraw/zinc/59/90/43/1225599043.db2.gz RIKUWVVUDJMSNR-CEXWTWQISA-N 2 1 361.486 0.658 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001222126804 1225603372 /nfs/dbraw/zinc/60/33/72/1225603372.db2.gz YUXLCJRGPSNLHK-KURKYZTESA-N 2 1 372.517 0.938 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001222126804 1225603376 /nfs/dbraw/zinc/60/33/76/1225603376.db2.gz YUXLCJRGPSNLHK-KURKYZTESA-N 2 1 372.517 0.938 20 0 FCADMP O=C1NCC[C@@]12C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520592 1225630692 /nfs/dbraw/zinc/63/06/92/1225630692.db2.gz HNNWLKNUYDCSMB-OAQYLSRUSA-N 3 1 369.513 0.003 20 0 FCADMP O=C1NCC[C@@]12CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520592 1225630696 /nfs/dbraw/zinc/63/06/96/1225630696.db2.gz HNNWLKNUYDCSMB-OAQYLSRUSA-N 2 1 369.513 0.003 20 0 FCADMP O=C1NCC[C@@]12C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001222521782 1225630821 /nfs/dbraw/zinc/63/08/21/1225630821.db2.gz ZNGJBOMFSIILSX-HXUWFJFHSA-N 3 1 355.486 0.008 20 0 FCADMP O=C1NCC[C@@]12CN(Cc1ccccc1N1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001222521782 1225630822 /nfs/dbraw/zinc/63/08/22/1225630822.db2.gz ZNGJBOMFSIILSX-HXUWFJFHSA-N 2 1 355.486 0.008 20 0 FCADMP O=C1NCC[C@]12C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520591 1225630942 /nfs/dbraw/zinc/63/09/42/1225630942.db2.gz HNNWLKNUYDCSMB-NRFANRHFSA-N 3 1 369.513 0.003 20 0 FCADMP O=C1NCC[C@]12CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC21C[NH2+]C1 ZINC001222520591 1225630946 /nfs/dbraw/zinc/63/09/46/1225630946.db2.gz HNNWLKNUYDCSMB-NRFANRHFSA-N 2 1 369.513 0.003 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001098013215 1215924291 /nfs/dbraw/zinc/92/42/91/1215924291.db2.gz BNHKBWPSMYZYSV-NCOADZHNSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)C1=O ZINC001098013215 1215924293 /nfs/dbraw/zinc/92/42/93/1215924293.db2.gz BNHKBWPSMYZYSV-NCOADZHNSA-N 2 1 374.489 0.011 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001000700431 1216107915 /nfs/dbraw/zinc/10/79/15/1216107915.db2.gz QFMIQFPGQMKFBJ-KBAYOESNSA-N 2 1 361.490 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](C[C@@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001000700431 1216107917 /nfs/dbraw/zinc/10/79/17/1216107917.db2.gz QFMIQFPGQMKFBJ-KBAYOESNSA-N 2 1 361.490 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C[C@@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC001000700431 1216107919 /nfs/dbraw/zinc/10/79/19/1216107919.db2.gz QFMIQFPGQMKFBJ-KBAYOESNSA-N 2 1 361.490 0.333 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001001417861 1216192722 /nfs/dbraw/zinc/19/27/22/1216192722.db2.gz GUUHXEIQLUXFNP-BPQIPLTHSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001050050268 1216272726 /nfs/dbraw/zinc/27/27/26/1216272726.db2.gz ACFYJLAIKWAUIP-YYIAUSFCSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001050050268 1216272742 /nfs/dbraw/zinc/27/27/42/1216272742.db2.gz ACFYJLAIKWAUIP-YYIAUSFCSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001050050268 1216272755 /nfs/dbraw/zinc/27/27/55/1216272755.db2.gz ACFYJLAIKWAUIP-YYIAUSFCSA-N 2 1 363.506 0.275 20 0 FCADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329256 1216308315 /nfs/dbraw/zinc/30/83/15/1216308315.db2.gz PVJVRDVURIKXPY-OXGONZEZSA-N 2 1 363.510 0.876 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001050328783 1216308690 /nfs/dbraw/zinc/30/86/90/1216308690.db2.gz LOQAHKWNAAUAQN-OXGONZEZSA-N 2 1 364.490 0.396 20 0 FCADMP COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222893370 1225663184 /nfs/dbraw/zinc/66/31/84/1225663184.db2.gz YFVGTVAFTDZHDG-SQNIBIBYSA-N 2 1 363.506 0.773 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001222893370 1225663189 /nfs/dbraw/zinc/66/31/89/1225663189.db2.gz YFVGTVAFTDZHDG-SQNIBIBYSA-N 2 1 363.506 0.773 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnn(C)c2)CC3)O1 ZINC001050565230 1216336459 /nfs/dbraw/zinc/33/64/59/1216336459.db2.gz XNLKMPHDBAQYQL-NVXWUHKLSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnn(C)c2)CC3)O1 ZINC001050565230 1216336464 /nfs/dbraw/zinc/33/64/64/1216336464.db2.gz XNLKMPHDBAQYQL-NVXWUHKLSA-N 2 1 361.490 0.564 20 0 FCADMP CN1C(=O)COCC12C[NH+](CC1(O)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001276843395 1225662271 /nfs/dbraw/zinc/66/22/71/1225662271.db2.gz GEDDSGYLRWQHLD-UHFFFAOYSA-N 2 1 359.470 0.557 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968738 1225670920 /nfs/dbraw/zinc/67/09/20/1225670920.db2.gz RPVJMGTWDSHWBH-KURKYZTESA-N 2 1 365.518 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(C)cn3)C2)CC[N@@H+]1C ZINC001051623613 1216467707 /nfs/dbraw/zinc/46/77/07/1216467707.db2.gz HRQDAYSNTKYZFN-YESZJQIVSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC001051623613 1216467714 /nfs/dbraw/zinc/46/77/14/1216467714.db2.gz HRQDAYSNTKYZFN-YESZJQIVSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(C)cn3)C2)CC[N@@H+]1C ZINC001051623608 1216468360 /nfs/dbraw/zinc/46/83/60/1216468360.db2.gz HRQDAYSNTKYZFN-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC001051623608 1216468363 /nfs/dbraw/zinc/46/83/63/1216468363.db2.gz HRQDAYSNTKYZFN-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC001051625097 1216469545 /nfs/dbraw/zinc/46/95/45/1216469545.db2.gz XKALZJFBDNXLJL-OKZBNKHCSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc(OC)no3)C2)CC[N@@H+]1C ZINC001051624664 1216470217 /nfs/dbraw/zinc/47/02/17/1216470217.db2.gz SGMLNVQEILLYSQ-OWCLPIDISA-N 2 1 366.462 0.731 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cc(OC)no3)C2)CC[N@H+]1C ZINC001051624664 1216470220 /nfs/dbraw/zinc/47/02/20/1216470220.db2.gz SGMLNVQEILLYSQ-OWCLPIDISA-N 2 1 366.462 0.731 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001051681735 1216474791 /nfs/dbraw/zinc/47/47/91/1216474791.db2.gz ZPJOZOCNYWVQCJ-XOKHGSTOSA-N 2 1 366.437 0.257 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001051681735 1216474799 /nfs/dbraw/zinc/47/47/99/1216474799.db2.gz ZPJOZOCNYWVQCJ-XOKHGSTOSA-N 2 1 366.437 0.257 20 0 FCADMP Cc1ccncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681278 1216474861 /nfs/dbraw/zinc/47/48/61/1216474861.db2.gz VRNWTSXWUWEJLA-KBAYOESNSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1ccncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681278 1216474868 /nfs/dbraw/zinc/47/48/68/1216474868.db2.gz VRNWTSXWUWEJLA-KBAYOESNSA-N 2 1 362.474 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001052487891 1216561370 /nfs/dbraw/zinc/56/13/70/1216561370.db2.gz DWLLKWJIMMAACF-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001052487891 1216561375 /nfs/dbraw/zinc/56/13/75/1216561375.db2.gz DWLLKWJIMMAACF-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCc3cnn(C)c3)CC2)O1 ZINC001052487891 1216561381 /nfs/dbraw/zinc/56/13/81/1216561381.db2.gz DWLLKWJIMMAACF-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCc3cnn(C)c3)CC2)O1 ZINC001052487891 1216561390 /nfs/dbraw/zinc/56/13/90/1216561390.db2.gz DWLLKWJIMMAACF-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151848 1225684068 /nfs/dbraw/zinc/68/40/68/1225684068.db2.gz XSVVXKPSOVUIFS-QGRXYFRJSA-N 2 1 363.502 0.809 20 0 FCADMP COCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151848 1225684072 /nfs/dbraw/zinc/68/40/72/1225684072.db2.gz XSVVXKPSOVUIFS-QGRXYFRJSA-N 2 1 363.502 0.809 20 0 FCADMP COCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151848 1225684074 /nfs/dbraw/zinc/68/40/74/1225684074.db2.gz XSVVXKPSOVUIFS-QGRXYFRJSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[NH+](C)C2CCC2)O1 ZINC001067671000 1216691823 /nfs/dbraw/zinc/69/18/23/1216691823.db2.gz PCUDJENZVLIWMH-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[NH+](C)C2CCC2)O1 ZINC001067671000 1216691827 /nfs/dbraw/zinc/69/18/27/1216691827.db2.gz PCUDJENZVLIWMH-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C2CCC2)O1 ZINC001067671000 1216691831 /nfs/dbraw/zinc/69/18/31/1216691831.db2.gz PCUDJENZVLIWMH-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C2CCC2)O1 ZINC001067671000 1216691838 /nfs/dbraw/zinc/69/18/38/1216691838.db2.gz PCUDJENZVLIWMH-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CC(=O)NCCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223250204 1225694342 /nfs/dbraw/zinc/69/43/42/1225694342.db2.gz URZZVTQMRMAXFS-CRAIPNDOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001223248359 1225694466 /nfs/dbraw/zinc/69/44/66/1225694466.db2.gz JEUBYCWOGMCACU-LSDHHAIUSA-N 2 1 367.494 0.001 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001223248359 1225694468 /nfs/dbraw/zinc/69/44/68/1225694468.db2.gz JEUBYCWOGMCACU-LSDHHAIUSA-N 2 1 367.494 0.001 20 0 FCADMP COC(=O)CC[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276882636 1225699606 /nfs/dbraw/zinc/69/96/06/1225699606.db2.gz OHPKRXGDEDZNRO-IBGZPJMESA-N 2 1 366.506 0.254 20 0 FCADMP COC(=O)CC[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276882636 1225699610 /nfs/dbraw/zinc/69/96/10/1225699610.db2.gz OHPKRXGDEDZNRO-IBGZPJMESA-N 2 1 366.506 0.254 20 0 FCADMP COC(=O)CC[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276882636 1225699614 /nfs/dbraw/zinc/69/96/14/1225699614.db2.gz OHPKRXGDEDZNRO-IBGZPJMESA-N 2 1 366.506 0.254 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979448 1216881234 /nfs/dbraw/zinc/88/12/34/1216881234.db2.gz HMUINZIYKAJBGQ-XKQJLSEDSA-N 2 1 369.429 0.616 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223387582 1225702061 /nfs/dbraw/zinc/70/20/61/1225702061.db2.gz HGRQIHVZMRXNGD-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070033400 1216910763 /nfs/dbraw/zinc/91/07/63/1216910763.db2.gz WRXSCVCGBITCCC-HCXYKTFWSA-N 2 1 368.485 0.985 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070033400 1216910768 /nfs/dbraw/zinc/91/07/68/1216910768.db2.gz WRXSCVCGBITCCC-HCXYKTFWSA-N 2 1 368.485 0.985 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070033400 1216910771 /nfs/dbraw/zinc/91/07/71/1216910771.db2.gz WRXSCVCGBITCCC-HCXYKTFWSA-N 2 1 368.485 0.985 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045771 1216920974 /nfs/dbraw/zinc/92/09/74/1216920974.db2.gz TXWBEHSPXVWITJ-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045771 1216920978 /nfs/dbraw/zinc/92/09/78/1216920978.db2.gz TXWBEHSPXVWITJ-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1)CC(C)(C)C ZINC001223522223 1225712267 /nfs/dbraw/zinc/71/22/67/1225712267.db2.gz NELINFVLHYWAOQ-KGLIPLIRSA-N 2 1 367.494 0.082 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@H]2C1)CC(C)(C)C ZINC001223522223 1225712273 /nfs/dbraw/zinc/71/22/73/1225712273.db2.gz NELINFVLHYWAOQ-KGLIPLIRSA-N 2 1 367.494 0.082 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)CC(C)(C)C ZINC001223522223 1225712276 /nfs/dbraw/zinc/71/22/76/1225712276.db2.gz NELINFVLHYWAOQ-KGLIPLIRSA-N 2 1 367.494 0.082 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1)CC(C)(C)C ZINC001223522223 1225712278 /nfs/dbraw/zinc/71/22/78/1225712278.db2.gz NELINFVLHYWAOQ-KGLIPLIRSA-N 2 1 367.494 0.082 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223912445 1225745343 /nfs/dbraw/zinc/74/53/43/1225745343.db2.gz UVWIUBRXWQDMMM-WBVHZDCISA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223916772 1225745877 /nfs/dbraw/zinc/74/58/77/1225745877.db2.gz QCDGDFXQECKEGX-WBVHZDCISA-N 2 1 366.506 0.014 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)ncn1 ZINC001223916988 1225746714 /nfs/dbraw/zinc/74/67/14/1225746714.db2.gz YFYJQXDHFAFFRC-AEFFLSMTSA-N 2 1 361.490 0.786 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130613 1225759714 /nfs/dbraw/zinc/75/97/14/1225759714.db2.gz SQCNNWKEEWOBKF-KURKYZTESA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130613 1225759719 /nfs/dbraw/zinc/75/97/19/1225759719.db2.gz SQCNNWKEEWOBKF-KURKYZTESA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130613 1225759721 /nfs/dbraw/zinc/75/97/21/1225759721.db2.gz SQCNNWKEEWOBKF-KURKYZTESA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCOC)[C@H]3C2)C1 ZINC001224190260 1225763652 /nfs/dbraw/zinc/76/36/52/1225763652.db2.gz KOZPNRWLIPJCJB-SQNIBIBYSA-N 2 1 369.506 0.293 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCOC)[C@H]3C2)C1 ZINC001224190260 1225763655 /nfs/dbraw/zinc/76/36/55/1225763655.db2.gz KOZPNRWLIPJCJB-SQNIBIBYSA-N 2 1 369.506 0.293 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCOC)[C@H]3C2)C1 ZINC001224190260 1225763657 /nfs/dbraw/zinc/76/36/57/1225763657.db2.gz KOZPNRWLIPJCJB-SQNIBIBYSA-N 2 1 369.506 0.293 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCOC)[C@H]3C2)C1 ZINC001224190260 1225763660 /nfs/dbraw/zinc/76/36/60/1225763660.db2.gz KOZPNRWLIPJCJB-SQNIBIBYSA-N 2 1 369.506 0.293 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246081 1225767521 /nfs/dbraw/zinc/76/75/21/1225767521.db2.gz UEASENZNZJVJPE-KURKYZTESA-N 2 1 371.522 0.273 20 0 FCADMP COCCOC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246081 1225767523 /nfs/dbraw/zinc/76/75/23/1225767523.db2.gz UEASENZNZJVJPE-KURKYZTESA-N 2 1 371.522 0.273 20 0 FCADMP COCCOC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246081 1225767526 /nfs/dbraw/zinc/76/75/26/1225767526.db2.gz UEASENZNZJVJPE-KURKYZTESA-N 2 1 371.522 0.273 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245763 1225767671 /nfs/dbraw/zinc/76/76/71/1225767671.db2.gz CQTYKOQKTQCSGU-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245763 1225767674 /nfs/dbraw/zinc/76/76/74/1225767674.db2.gz CQTYKOQKTQCSGU-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245763 1225767678 /nfs/dbraw/zinc/76/76/78/1225767678.db2.gz CQTYKOQKTQCSGU-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001045089941 1217898753 /nfs/dbraw/zinc/89/87/53/1217898753.db2.gz RFOQTZDIOZULEC-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001045089941 1217898754 /nfs/dbraw/zinc/89/87/54/1217898754.db2.gz RFOQTZDIOZULEC-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001045091489 1217899511 /nfs/dbraw/zinc/89/95/11/1217899511.db2.gz YFTXUTBFPKTAFT-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001045091489 1217899513 /nfs/dbraw/zinc/89/95/13/1217899513.db2.gz YFTXUTBFPKTAFT-VNQPRFMTSA-N 2 1 363.462 0.285 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCC4CC4)C3)CC2)O1 ZINC001046039477 1217989252 /nfs/dbraw/zinc/98/92/52/1217989252.db2.gz ZKQLEOWNBSZLCJ-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCC4CC4)C3)CC2)O1 ZINC001046039477 1217989255 /nfs/dbraw/zinc/98/92/55/1217989255.db2.gz ZKQLEOWNBSZLCJ-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCC4CC4)C3)CC2)O1 ZINC001046039477 1217989258 /nfs/dbraw/zinc/98/92/58/1217989258.db2.gz ZKQLEOWNBSZLCJ-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCC4CC4)C3)CC2)O1 ZINC001046039477 1217989259 /nfs/dbraw/zinc/98/92/59/1217989259.db2.gz ZKQLEOWNBSZLCJ-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCC4CC4)C3)CC2)O1 ZINC001046039477 1217989263 /nfs/dbraw/zinc/98/92/63/1217989263.db2.gz ZKQLEOWNBSZLCJ-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000900724698 1218030163 /nfs/dbraw/zinc/03/01/63/1218030163.db2.gz AYCMDGPKEQCWFR-LJQANCHMSA-N 2 1 365.566 0.641 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000900724698 1218030165 /nfs/dbraw/zinc/03/01/65/1218030165.db2.gz AYCMDGPKEQCWFR-LJQANCHMSA-N 2 1 365.566 0.641 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000900724698 1218030168 /nfs/dbraw/zinc/03/01/68/1218030168.db2.gz AYCMDGPKEQCWFR-LJQANCHMSA-N 2 1 365.566 0.641 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000901319088 1218112422 /nfs/dbraw/zinc/11/24/22/1218112422.db2.gz UWMPEKPTOPUGDW-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000901319088 1218112423 /nfs/dbraw/zinc/11/24/23/1218112423.db2.gz UWMPEKPTOPUGDW-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308870 1218235333 /nfs/dbraw/zinc/23/53/33/1218235333.db2.gz BNXQCMBTTRDTEG-SQNIBIBYSA-N 2 1 362.518 0.918 20 0 FCADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308870 1218235337 /nfs/dbraw/zinc/23/53/37/1218235337.db2.gz BNXQCMBTTRDTEG-SQNIBIBYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3cnon3)CC2)O1 ZINC001048610584 1218296922 /nfs/dbraw/zinc/29/69/22/1218296922.db2.gz KHHHREUDYGXKIL-KCYZZUKISA-N 2 1 365.478 0.801 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3cnon3)CC2)O1 ZINC001048610584 1218296935 /nfs/dbraw/zinc/29/69/35/1218296935.db2.gz KHHHREUDYGXKIL-KCYZZUKISA-N 2 1 365.478 0.801 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1C ZINC001048828742 1218323346 /nfs/dbraw/zinc/32/33/46/1218323346.db2.gz BZZSGSUUMSJQBW-LVQVYYBASA-N 2 1 360.506 0.608 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1C ZINC001048828742 1218323352 /nfs/dbraw/zinc/32/33/52/1218323352.db2.gz BZZSGSUUMSJQBW-LVQVYYBASA-N 2 1 360.506 0.608 20 0 FCADMP CCc1nnc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)n1C ZINC001048828742 1218323358 /nfs/dbraw/zinc/32/33/58/1218323358.db2.gz BZZSGSUUMSJQBW-LVQVYYBASA-N 2 1 360.506 0.608 20 0 FCADMP CCc1nnc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)n1C ZINC001048828742 1218323366 /nfs/dbraw/zinc/32/33/66/1218323366.db2.gz BZZSGSUUMSJQBW-LVQVYYBASA-N 2 1 360.506 0.608 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001048977040 1218356917 /nfs/dbraw/zinc/35/69/17/1218356917.db2.gz LQLVKKHWHTYTHU-YVSFHVDLSA-N 2 1 368.522 0.087 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001048977040 1218356923 /nfs/dbraw/zinc/35/69/23/1218356923.db2.gz LQLVKKHWHTYTHU-YVSFHVDLSA-N 2 1 368.522 0.087 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001048977040 1218356931 /nfs/dbraw/zinc/35/69/31/1218356931.db2.gz LQLVKKHWHTYTHU-YVSFHVDLSA-N 2 1 368.522 0.087 20 0 FCADMP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O)[NH+](C)C ZINC001049027322 1218366703 /nfs/dbraw/zinc/36/67/03/1218366703.db2.gz JTESJZHYLZGWEN-BIVLZKPYSA-N 2 1 368.522 0.087 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075263 1218378615 /nfs/dbraw/zinc/37/86/15/1218378615.db2.gz NGSDFXCRISMZJR-FTWQHDNSSA-N 2 1 370.497 0.596 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075263 1218378621 /nfs/dbraw/zinc/37/86/21/1218378621.db2.gz NGSDFXCRISMZJR-FTWQHDNSSA-N 2 1 370.497 0.596 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075263 1218378627 /nfs/dbraw/zinc/37/86/27/1218378627.db2.gz NGSDFXCRISMZJR-FTWQHDNSSA-N 2 1 370.497 0.596 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000803564426 1218437809 /nfs/dbraw/zinc/43/78/09/1218437809.db2.gz MAROCLHOAKDLJL-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741168 1218511846 /nfs/dbraw/zinc/51/18/46/1218511846.db2.gz NSAWJWYYRBOGPA-QZTJIDSGSA-N 2 1 364.534 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756280 1218516784 /nfs/dbraw/zinc/51/67/84/1218516784.db2.gz PTIZHXSUVUHZRW-CVEARBPZSA-N 2 1 371.489 0.794 20 0 FCADMP NC(=O)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903979969 1218578886 /nfs/dbraw/zinc/57/88/86/1218578886.db2.gz ALJOBNMZERUEGP-HDICACEKSA-N 2 1 358.486 0.951 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097177019 1218709779 /nfs/dbraw/zinc/70/97/79/1218709779.db2.gz FVTSWKYXWCDVOB-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097177019 1218709784 /nfs/dbraw/zinc/70/97/84/1218709784.db2.gz FVTSWKYXWCDVOB-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001097177019 1218709787 /nfs/dbraw/zinc/70/97/87/1218709787.db2.gz FVTSWKYXWCDVOB-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097177019 1218709792 /nfs/dbraw/zinc/70/97/92/1218709792.db2.gz FVTSWKYXWCDVOB-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226334662 1225840519 /nfs/dbraw/zinc/84/05/19/1225840519.db2.gz XRGSJYQQUJHTOA-VDHUWJSZSA-N 2 1 368.522 0.496 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097215439 1218723188 /nfs/dbraw/zinc/72/31/88/1218723188.db2.gz XYPHDNVIYOVYKW-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097215439 1218723195 /nfs/dbraw/zinc/72/31/95/1218723195.db2.gz XYPHDNVIYOVYKW-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001097215439 1218723201 /nfs/dbraw/zinc/72/32/01/1218723201.db2.gz XYPHDNVIYOVYKW-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001097215439 1218723210 /nfs/dbraw/zinc/72/32/10/1218723210.db2.gz XYPHDNVIYOVYKW-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@@H+]1C ZINC001054134499 1218898820 /nfs/dbraw/zinc/89/88/20/1218898820.db2.gz FUZWNCXWYJHBNF-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cn(C)nn4)C3)C2)CC[N@H+]1C ZINC001054134499 1218898821 /nfs/dbraw/zinc/89/88/21/1218898821.db2.gz FUZWNCXWYJHBNF-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001054134499 1218898822 /nfs/dbraw/zinc/89/88/22/1218898822.db2.gz FUZWNCXWYJHBNF-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cn(C)nn4)C3)C2)CC[NH+]1C ZINC001054134499 1218898823 /nfs/dbraw/zinc/89/88/23/1218898823.db2.gz FUZWNCXWYJHBNF-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001226773007 1225854267 /nfs/dbraw/zinc/85/42/67/1225854267.db2.gz BKCPCGBKAVZYMV-ZACQAIPSSA-N 2 1 366.506 0.393 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000826882999 1218910130 /nfs/dbraw/zinc/91/01/30/1218910130.db2.gz QSCQGLHKBRKOLL-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccoc3)CC2)CC[N@@H+]1C ZINC001055515545 1219064428 /nfs/dbraw/zinc/06/44/28/1219064428.db2.gz DFXLPOMGXDXEFH-RHSMWYFYSA-N 2 1 362.474 0.930 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccoc3)CC2)CC[N@H+]1C ZINC001055515545 1219064434 /nfs/dbraw/zinc/06/44/34/1219064434.db2.gz DFXLPOMGXDXEFH-RHSMWYFYSA-N 2 1 362.474 0.930 20 0 FCADMP COC[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583614 1219087877 /nfs/dbraw/zinc/08/78/77/1219087877.db2.gz VDPVPJJUYZDVCV-ZMSDIMECSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccon3)CC2)CC[N@H+]1C ZINC001055583395 1219087977 /nfs/dbraw/zinc/08/79/77/1219087977.db2.gz MDFFDDQXEGQKFN-UKRRQHHQSA-N 2 1 363.462 0.325 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001055583526 1219088078 /nfs/dbraw/zinc/08/80/78/1219088078.db2.gz REXSOPQTCHJHIG-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP COCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583245 1219088611 /nfs/dbraw/zinc/08/86/11/1219088611.db2.gz FTORIOINSSBQPT-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804051100 1219103507 /nfs/dbraw/zinc/10/35/07/1219103507.db2.gz NEDUCXRAWAHLAT-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804051100 1219103513 /nfs/dbraw/zinc/10/35/13/1219103513.db2.gz NEDUCXRAWAHLAT-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804051100 1219103515 /nfs/dbraw/zinc/10/35/15/1219103515.db2.gz NEDUCXRAWAHLAT-LTIDMASMSA-N 2 1 364.490 0.051 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055000 1219108223 /nfs/dbraw/zinc/10/82/23/1219108223.db2.gz CLHPJENZSYACBQ-HOTGVXAUSA-N 2 1 363.462 0.019 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055000 1219108225 /nfs/dbraw/zinc/10/82/25/1219108225.db2.gz CLHPJENZSYACBQ-HOTGVXAUSA-N 2 1 363.462 0.019 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804055944 1219109358 /nfs/dbraw/zinc/10/93/58/1219109358.db2.gz PTHGOYWYVLQNDW-SJORKVTESA-N 2 1 366.506 0.299 20 0 FCADMP Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057450 1219110473 /nfs/dbraw/zinc/11/04/73/1219110473.db2.gz PQRRJDAGEDFUHW-HZPDHXFCSA-N 2 1 363.462 0.067 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057450 1219110486 /nfs/dbraw/zinc/11/04/86/1219110486.db2.gz PQRRJDAGEDFUHW-HZPDHXFCSA-N 2 1 363.462 0.067 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H]1C ZINC000804057584 1219110697 /nfs/dbraw/zinc/11/06/97/1219110697.db2.gz AZRMTDACWDJKNX-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804057590 1219110778 /nfs/dbraw/zinc/11/07/78/1219110778.db2.gz AZRMTDACWDJKNX-MWDXBVQZSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000804058954 1219111996 /nfs/dbraw/zinc/11/19/96/1219111996.db2.gz HAVPZHMLZFKBSI-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059894 1219113873 /nfs/dbraw/zinc/11/38/73/1219113873.db2.gz ONKOTVHTCMTIMF-NCOADZHNSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804059713 1219114396 /nfs/dbraw/zinc/11/43/96/1219114396.db2.gz JYZBCFNQMOUFFB-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP CC1CC(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)C1 ZINC001070078079 1219147342 /nfs/dbraw/zinc/14/73/42/1219147342.db2.gz USEGWTBWTQMOAK-BACDZXNISA-N 2 1 358.490 0.762 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097133 1219167484 /nfs/dbraw/zinc/16/74/84/1219167484.db2.gz DHOVFVJGDDBYIB-KURKYZTESA-N 2 1 354.458 0.772 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097133 1219167487 /nfs/dbraw/zinc/16/74/87/1219167487.db2.gz DHOVFVJGDDBYIB-KURKYZTESA-N 2 1 354.458 0.772 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097133 1219167494 /nfs/dbraw/zinc/16/74/94/1219167494.db2.gz DHOVFVJGDDBYIB-KURKYZTESA-N 2 1 354.458 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[NH+]3C)CCOCC2)CC[N@H+]1C ZINC001070132794 1219207173 /nfs/dbraw/zinc/20/71/73/1219207173.db2.gz SMJQFAMFLHOBEL-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCOCC2)CC[NH+]1C ZINC001070132794 1219207180 /nfs/dbraw/zinc/20/71/80/1219207180.db2.gz SMJQFAMFLHOBEL-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CCOCC2)CC[NH+]1C ZINC001070132794 1219207186 /nfs/dbraw/zinc/20/71/86/1219207186.db2.gz SMJQFAMFLHOBEL-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132897 1219208538 /nfs/dbraw/zinc/20/85/38/1219208538.db2.gz XBYIHOSZCNZPKC-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCOCC2)CC[N@H+]1C ZINC001070133653 1219209159 /nfs/dbraw/zinc/20/91/59/1219209159.db2.gz JMCPWKXHDLDRTL-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070133653 1219209165 /nfs/dbraw/zinc/20/91/65/1219209165.db2.gz JMCPWKXHDLDRTL-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070133653 1219209174 /nfs/dbraw/zinc/20/91/74/1219209174.db2.gz JMCPWKXHDLDRTL-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)o1 ZINC001070196530 1219287647 /nfs/dbraw/zinc/28/76/47/1219287647.db2.gz CLKZHRFIXAWPLS-YYQUZTFQSA-N 2 1 373.461 0.456 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)o1 ZINC001070196530 1219287652 /nfs/dbraw/zinc/28/76/52/1219287652.db2.gz CLKZHRFIXAWPLS-YYQUZTFQSA-N 2 1 373.461 0.456 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196526 1219287822 /nfs/dbraw/zinc/28/78/22/1219287822.db2.gz CGIHGOBSQCGFDE-YYQUZTFQSA-N 2 1 373.461 0.456 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196526 1219287823 /nfs/dbraw/zinc/28/78/23/1219287823.db2.gz CGIHGOBSQCGFDE-YYQUZTFQSA-N 2 1 373.461 0.456 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070260436 1219330812 /nfs/dbraw/zinc/33/08/12/1219330812.db2.gz JEKDWXLMQSFDEJ-IKGGRYGDSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070260436 1219330815 /nfs/dbraw/zinc/33/08/15/1219330815.db2.gz JEKDWXLMQSFDEJ-IKGGRYGDSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070273786 1219341611 /nfs/dbraw/zinc/34/16/11/1219341611.db2.gz GMWLLZVXPFAUDF-JQHSSLGASA-N 2 1 369.473 0.699 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070275511 1219342287 /nfs/dbraw/zinc/34/22/87/1219342287.db2.gz PTGSWHDWCARGJV-JQHSSLGASA-N 2 1 369.473 0.557 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001070302447 1219361259 /nfs/dbraw/zinc/36/12/59/1219361259.db2.gz RZPYIEFGFSPLSK-CVEARBPZSA-N 2 1 352.402 0.534 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)[C@@H](n3ccnn3)C2)C1 ZINC001070327007 1219377162 /nfs/dbraw/zinc/37/71/62/1219377162.db2.gz NOQJPIWQQFEYCR-KFWWJZLASA-N 2 1 368.432 0.617 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001070354773 1219393275 /nfs/dbraw/zinc/39/32/75/1219393275.db2.gz VAVDXPRUCIAMHH-ZNMIVQPWSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001070354773 1219393278 /nfs/dbraw/zinc/39/32/78/1219393278.db2.gz VAVDXPRUCIAMHH-ZNMIVQPWSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001070354773 1219393280 /nfs/dbraw/zinc/39/32/80/1219393280.db2.gz VAVDXPRUCIAMHH-ZNMIVQPWSA-N 2 1 364.494 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)CC[N@H+]1C ZINC001070371737 1219401778 /nfs/dbraw/zinc/40/17/78/1219401778.db2.gz GRDIOPJNLAFXKJ-IIVZCXTMSA-N 2 1 368.497 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCCO)C2)CC[N@H+]1C ZINC001070411199 1219409030 /nfs/dbraw/zinc/40/90/30/1219409030.db2.gz GIPLSPNZTIDVIP-BHYGNILZSA-N 2 1 363.506 0.928 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCCO)C2)CC[NH+]1C ZINC001070411199 1219409032 /nfs/dbraw/zinc/40/90/32/1219409032.db2.gz GIPLSPNZTIDVIP-BHYGNILZSA-N 2 1 363.506 0.928 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CCCO)C2)CC[NH+]1C ZINC001070411199 1219409034 /nfs/dbraw/zinc/40/90/34/1219409034.db2.gz GIPLSPNZTIDVIP-BHYGNILZSA-N 2 1 363.506 0.928 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070475221 1219426259 /nfs/dbraw/zinc/42/62/59/1219426259.db2.gz IXTRJOAJFLGOSX-JQHSSLGASA-N 2 1 371.489 0.295 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2c2cncn2C)cn1 ZINC001070629155 1219493696 /nfs/dbraw/zinc/49/36/96/1219493696.db2.gz BKVALLQWXMTTRS-BRWVUGGUSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070660418 1219512264 /nfs/dbraw/zinc/51/22/64/1219512264.db2.gz DDIAVANSVMCHDP-YFHUEUNASA-N 2 1 363.506 0.679 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070660418 1219512267 /nfs/dbraw/zinc/51/22/67/1219512267.db2.gz DDIAVANSVMCHDP-YFHUEUNASA-N 2 1 363.506 0.679 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277273670 1225898120 /nfs/dbraw/zinc/89/81/20/1225898120.db2.gz BPZZMGPLSZHLLG-IRXDYDNUSA-N 2 1 362.518 0.870 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cncn2C)n1 ZINC001070718766 1219540826 /nfs/dbraw/zinc/54/08/26/1219540826.db2.gz IBWPXORWXCLNGW-USXIJHARSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cncn2C)n1 ZINC001070718766 1219540829 /nfs/dbraw/zinc/54/08/29/1219540829.db2.gz IBWPXORWXCLNGW-USXIJHARSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070718968 1219541644 /nfs/dbraw/zinc/54/16/44/1219541644.db2.gz MZGFVSXQQSDIDM-USXIJHARSA-N 2 1 371.489 0.190 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070720241 1219542143 /nfs/dbraw/zinc/54/21/43/1219542143.db2.gz MSEKHPTZAWDALH-NUJGCVRESA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070720241 1219542145 /nfs/dbraw/zinc/54/21/45/1219542145.db2.gz MSEKHPTZAWDALH-NUJGCVRESA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001070921484 1219578174 /nfs/dbraw/zinc/57/81/74/1219578174.db2.gz ZWZFMCZVUIJUQA-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001070921484 1219578177 /nfs/dbraw/zinc/57/81/77/1219578177.db2.gz ZWZFMCZVUIJUQA-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924334 1219581153 /nfs/dbraw/zinc/58/11/53/1219581153.db2.gz KYULFKFFDRLBPQ-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001071094733 1219604883 /nfs/dbraw/zinc/60/48/83/1219604883.db2.gz UKOVKVSNPUBAMZ-WDYCEAGBSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001228255162 1225904793 /nfs/dbraw/zinc/90/47/93/1225904793.db2.gz RHDYQUVZIJBZMQ-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074603545 1219702084 /nfs/dbraw/zinc/70/20/84/1219702084.db2.gz NUKUSPAVVZWKRJ-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188133 1219735904 /nfs/dbraw/zinc/73/59/04/1219735904.db2.gz ZXRHCVYYXXFYRA-LIRZEXBASA-N 2 1 362.518 0.964 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188133 1219735907 /nfs/dbraw/zinc/73/59/07/1219735907.db2.gz ZXRHCVYYXXFYRA-LIRZEXBASA-N 2 1 362.518 0.964 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393910 1219772303 /nfs/dbraw/zinc/77/23/03/1219772303.db2.gz GKFYEZICHPAPAU-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393910 1219772307 /nfs/dbraw/zinc/77/23/07/1219772307.db2.gz GKFYEZICHPAPAU-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393910 1219772310 /nfs/dbraw/zinc/77/23/10/1219772310.db2.gz GKFYEZICHPAPAU-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001098393910 1219772313 /nfs/dbraw/zinc/77/23/13/1219772313.db2.gz GKFYEZICHPAPAU-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000749356166 1219792212 /nfs/dbraw/zinc/79/22/12/1219792212.db2.gz ZIHLHNRDCPDBAI-CYBMUJFWSA-N 2 1 369.429 0.548 20 0 FCADMP CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098674012 1219809558 /nfs/dbraw/zinc/80/95/58/1219809558.db2.gz XFEHODRTFHFRSE-HYVNUMGLSA-N 2 1 364.494 0.518 20 0 FCADMP CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098674012 1219809562 /nfs/dbraw/zinc/80/95/62/1219809562.db2.gz XFEHODRTFHFRSE-HYVNUMGLSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCOC)nn3)C2)CC[N@@H+]1C ZINC001098675391 1219810143 /nfs/dbraw/zinc/81/01/43/1219810143.db2.gz AHFWUIIKEYNUSY-IXDOHACOSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCOC)nn3)C2)CC[N@H+]1C ZINC001098675391 1219810145 /nfs/dbraw/zinc/81/01/45/1219810145.db2.gz AHFWUIIKEYNUSY-IXDOHACOSA-N 2 1 364.494 0.518 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001098842278 1219839010 /nfs/dbraw/zinc/83/90/10/1219839010.db2.gz ZMVAFBXGASNYIS-SCTDSRPQSA-N 2 1 358.490 0.591 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCC(=O)NC2=O)C3)CC1 ZINC001099010545 1219888349 /nfs/dbraw/zinc/88/83/49/1219888349.db2.gz HYLYNUPWYXQEMX-KHYOSLBOSA-N 2 1 362.474 0.104 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCOCCO)O1 ZINC001099121033 1219920557 /nfs/dbraw/zinc/92/05/57/1219920557.db2.gz IBKWXLTVCAZQEZ-IXDOHACOSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCOCCO)O1 ZINC001099121033 1219920560 /nfs/dbraw/zinc/92/05/60/1219920560.db2.gz IBKWXLTVCAZQEZ-IXDOHACOSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCOCCO)O1 ZINC001099121033 1219920562 /nfs/dbraw/zinc/92/05/62/1219920562.db2.gz IBKWXLTVCAZQEZ-IXDOHACOSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCOCCO)O1 ZINC001099121033 1219920564 /nfs/dbraw/zinc/92/05/64/1219920564.db2.gz IBKWXLTVCAZQEZ-IXDOHACOSA-N 2 1 371.522 0.321 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001099158910 1219935503 /nfs/dbraw/zinc/93/55/03/1219935503.db2.gz AHDBTISWAGJTLV-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001099158910 1219935505 /nfs/dbraw/zinc/93/55/05/1219935505.db2.gz AHDBTISWAGJTLV-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001099158910 1219935507 /nfs/dbraw/zinc/93/55/07/1219935507.db2.gz AHDBTISWAGJTLV-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001099158910 1219935510 /nfs/dbraw/zinc/93/55/10/1219935510.db2.gz AHDBTISWAGJTLV-DOXZYTNZSA-N 2 1 359.474 0.908 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001099162265 1219936138 /nfs/dbraw/zinc/93/61/38/1219936138.db2.gz AJPLCNYOZQJJSO-LNLFQRSKSA-N 2 1 361.490 0.311 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001099162265 1219936141 /nfs/dbraw/zinc/93/61/41/1219936141.db2.gz AJPLCNYOZQJJSO-LNLFQRSKSA-N 2 1 361.490 0.311 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160855 1219936708 /nfs/dbraw/zinc/93/67/08/1219936708.db2.gz URMSBZVLJREEKQ-LNLFQRSKSA-N 2 1 360.506 0.817 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099160855 1219936710 /nfs/dbraw/zinc/93/67/10/1219936710.db2.gz URMSBZVLJREEKQ-LNLFQRSKSA-N 2 1 360.506 0.817 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099160855 1219936713 /nfs/dbraw/zinc/93/67/13/1219936713.db2.gz URMSBZVLJREEKQ-LNLFQRSKSA-N 2 1 360.506 0.817 20 0 FCADMP O=C(CCc1cnc[nH]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099261017 1219958747 /nfs/dbraw/zinc/95/87/47/1219958747.db2.gz GLNVJRDEPOORNK-CHWSQXEVSA-N 2 1 371.367 0.613 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)C2 ZINC001228602069 1225935369 /nfs/dbraw/zinc/93/53/69/1225935369.db2.gz BNUZYDICJZOSGN-CGTJXYLNSA-N 2 1 364.490 0.780 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc4ncccc4[nH]3)C2)OCC1=O ZINC001277312662 1225935549 /nfs/dbraw/zinc/93/55/49/1225935549.db2.gz LCNYOIYKNSOFMN-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001228604024 1225935925 /nfs/dbraw/zinc/93/59/25/1225935925.db2.gz VXTKQWLIJOGESA-DJIMGWMZSA-N 2 1 361.490 0.907 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnnn3C)C2)C1 ZINC001099496088 1220014377 /nfs/dbraw/zinc/01/43/77/1220014377.db2.gz ADSDOBLKQUEPMO-MPGHIAIKSA-N 2 1 361.494 0.270 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnon3)C2)C1 ZINC001099539641 1220027451 /nfs/dbraw/zinc/02/74/51/1220027451.db2.gz SLBJSEPADFUSCR-ZVZYQTTQSA-N 2 1 363.462 0.509 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnon3)C2)C1 ZINC001099539641 1220027454 /nfs/dbraw/zinc/02/74/54/1220027454.db2.gz SLBJSEPADFUSCR-ZVZYQTTQSA-N 2 1 363.462 0.509 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623940 1225937408 /nfs/dbraw/zinc/93/74/08/1225937408.db2.gz NRUJWPARFXGVOW-ZIAGYGMSSA-N 2 1 369.510 0.437 20 0 FCADMP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000758263122 1220210165 /nfs/dbraw/zinc/21/01/65/1220210165.db2.gz GYVHVGKWZZMSAI-MRXNPFEDSA-N 2 1 366.506 0.315 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186828 1220217181 /nfs/dbraw/zinc/21/71/81/1220217181.db2.gz GYXBPKYAOIMMCX-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186828 1220217187 /nfs/dbraw/zinc/21/71/87/1220217187.db2.gz GYXBPKYAOIMMCX-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186828 1220217191 /nfs/dbraw/zinc/21/71/91/1220217191.db2.gz GYXBPKYAOIMMCX-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CCC4)C[C@@]3(C)C2)C1 ZINC001101186828 1220217197 /nfs/dbraw/zinc/21/71/97/1220217197.db2.gz GYXBPKYAOIMMCX-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101316994 1220284403 /nfs/dbraw/zinc/28/44/03/1220284403.db2.gz BBHWAWKVHBFFKT-FCEWJHQRSA-N 2 1 361.490 0.968 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340122 1220293193 /nfs/dbraw/zinc/29/31/93/1220293193.db2.gz WIGLTAFTSZRIGD-MDZRGWNJSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340122 1220293197 /nfs/dbraw/zinc/29/31/97/1220293197.db2.gz WIGLTAFTSZRIGD-MDZRGWNJSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340122 1220293198 /nfs/dbraw/zinc/29/31/98/1220293198.db2.gz WIGLTAFTSZRIGD-MDZRGWNJSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101340122 1220293201 /nfs/dbraw/zinc/29/32/01/1220293201.db2.gz WIGLTAFTSZRIGD-MDZRGWNJSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101340763 1220294442 /nfs/dbraw/zinc/29/44/42/1220294442.db2.gz UNJKEUDVSVVISP-APWZRJJASA-N 2 1 365.474 0.744 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101342818 1220295640 /nfs/dbraw/zinc/29/56/40/1220295640.db2.gz NZOLQQPPCZWHHX-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432724 1220342747 /nfs/dbraw/zinc/34/27/47/1220342747.db2.gz YEMAWLHPEILZEE-FCEWJHQRSA-N 2 1 368.522 0.260 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCc3cncn3C)C[C@]2(C)C1 ZINC001101448620 1220351505 /nfs/dbraw/zinc/35/15/05/1220351505.db2.gz DVBHFJPRJDSOJZ-APWZRJJASA-N 2 1 364.490 0.796 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101461459 1220358587 /nfs/dbraw/zinc/35/85/87/1220358587.db2.gz CERISKYIHQKJPR-APWZRJJASA-N 2 1 359.474 0.498 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101461459 1220358590 /nfs/dbraw/zinc/35/85/90/1220358590.db2.gz CERISKYIHQKJPR-APWZRJJASA-N 2 1 359.474 0.498 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101461859 1220359826 /nfs/dbraw/zinc/35/98/26/1220359826.db2.gz WRIWAOYKRYGSKF-APWZRJJASA-N 2 1 361.490 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101461859 1220359832 /nfs/dbraw/zinc/35/98/32/1220359832.db2.gz WRIWAOYKRYGSKF-APWZRJJASA-N 2 1 361.490 0.839 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001101474423 1220366957 /nfs/dbraw/zinc/36/69/57/1220366957.db2.gz YLWPUKXKVVIEEE-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819556 1220409371 /nfs/dbraw/zinc/40/93/71/1220409371.db2.gz MUYBQWATYYHRBB-INMHGKMJSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101819556 1220409374 /nfs/dbraw/zinc/40/93/74/1220409374.db2.gz MUYBQWATYYHRBB-INMHGKMJSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101819556 1220409375 /nfs/dbraw/zinc/40/93/75/1220409375.db2.gz MUYBQWATYYHRBB-INMHGKMJSA-N 2 1 362.474 0.674 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844111 1220414066 /nfs/dbraw/zinc/41/40/66/1220414066.db2.gz MBQZDFYPJKCDNU-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844111 1220414069 /nfs/dbraw/zinc/41/40/69/1220414069.db2.gz MBQZDFYPJKCDNU-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844111 1220414071 /nfs/dbraw/zinc/41/40/71/1220414071.db2.gz MBQZDFYPJKCDNU-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844111 1220414076 /nfs/dbraw/zinc/41/40/76/1220414076.db2.gz MBQZDFYPJKCDNU-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078817 1220489331 /nfs/dbraw/zinc/48/93/31/1220489331.db2.gz KIESUCKBPQUQSF-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078817 1220489334 /nfs/dbraw/zinc/48/93/34/1220489334.db2.gz KIESUCKBPQUQSF-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078817 1220489335 /nfs/dbraw/zinc/48/93/35/1220489335.db2.gz KIESUCKBPQUQSF-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078817 1220489338 /nfs/dbraw/zinc/48/93/38/1220489338.db2.gz KIESUCKBPQUQSF-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102157560 1220527664 /nfs/dbraw/zinc/52/76/64/1220527664.db2.gz KGAWKULGRXBDKH-FRFSOERESA-N 2 1 361.490 0.790 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102157560 1220527676 /nfs/dbraw/zinc/52/76/76/1220527676.db2.gz KGAWKULGRXBDKH-FRFSOERESA-N 2 1 361.490 0.790 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157984 1220529456 /nfs/dbraw/zinc/52/94/56/1220529456.db2.gz XVVRTZSTPZLWRJ-CPUCHLNUSA-N 2 1 359.474 0.335 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157984 1220529461 /nfs/dbraw/zinc/52/94/61/1220529461.db2.gz XVVRTZSTPZLWRJ-CPUCHLNUSA-N 2 1 359.474 0.335 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102157946 1220529628 /nfs/dbraw/zinc/52/96/28/1220529628.db2.gz WFNVDOQENFGGHW-DJIMGWMZSA-N 2 1 360.462 0.133 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102157946 1220529634 /nfs/dbraw/zinc/52/96/34/1220529634.db2.gz WFNVDOQENFGGHW-DJIMGWMZSA-N 2 1 360.462 0.133 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](C)C2)n1C ZINC001102369821 1220596143 /nfs/dbraw/zinc/59/61/43/1220596143.db2.gz HZWXLTFNAPMRKT-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](C)C2)n1C ZINC001102369821 1220596153 /nfs/dbraw/zinc/59/61/53/1220596153.db2.gz HZWXLTFNAPMRKT-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1C ZINC001102369821 1220596158 /nfs/dbraw/zinc/59/61/58/1220596158.db2.gz HZWXLTFNAPMRKT-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1C ZINC001102369821 1220596161 /nfs/dbraw/zinc/59/61/61/1220596161.db2.gz HZWXLTFNAPMRKT-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468911 1220639567 /nfs/dbraw/zinc/63/95/67/1220639567.db2.gz GDTLQTCQIDSMJL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468911 1220639571 /nfs/dbraw/zinc/63/95/71/1220639571.db2.gz GDTLQTCQIDSMJL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486832 1220650053 /nfs/dbraw/zinc/65/00/53/1220650053.db2.gz WXKFVPCXVDQALO-OWCLPIDISA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486736 1220650526 /nfs/dbraw/zinc/65/05/26/1220650526.db2.gz SKTLJEPPNXLPKI-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488961 1220652052 /nfs/dbraw/zinc/65/20/52/1220652052.db2.gz OCCGFVYADLKLHU-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488961 1220652056 /nfs/dbraw/zinc/65/20/56/1220652056.db2.gz OCCGFVYADLKLHU-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489134 1220652275 /nfs/dbraw/zinc/65/22/75/1220652275.db2.gz UQSZJDHCFLGWIT-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489134 1220652278 /nfs/dbraw/zinc/65/22/78/1220652278.db2.gz UQSZJDHCFLGWIT-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488754 1220652410 /nfs/dbraw/zinc/65/24/10/1220652410.db2.gz HEEYDDDVCGWXNC-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102496295 1220657139 /nfs/dbraw/zinc/65/71/39/1220657139.db2.gz ONPSNNXMGUHWTB-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102496295 1220657140 /nfs/dbraw/zinc/65/71/40/1220657140.db2.gz ONPSNNXMGUHWTB-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102496295 1220657142 /nfs/dbraw/zinc/65/71/42/1220657142.db2.gz ONPSNNXMGUHWTB-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102496295 1220657143 /nfs/dbraw/zinc/65/71/43/1220657143.db2.gz ONPSNNXMGUHWTB-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP CCCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511195 1220669912 /nfs/dbraw/zinc/66/99/12/1220669912.db2.gz NHCDWSZOEKJSDY-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP CCCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511195 1220669914 /nfs/dbraw/zinc/66/99/14/1220669914.db2.gz NHCDWSZOEKJSDY-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513521 1220672515 /nfs/dbraw/zinc/67/25/15/1220672515.db2.gz OCKFQEILBPVTFD-HZPDHXFCSA-N 2 1 363.506 0.592 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1C ZINC001102513984 1220673089 /nfs/dbraw/zinc/67/30/89/1220673089.db2.gz IFPNBKNHVNCNSW-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1C ZINC001102513984 1220673091 /nfs/dbraw/zinc/67/30/91/1220673091.db2.gz IFPNBKNHVNCNSW-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1C ZINC001102513984 1220673094 /nfs/dbraw/zinc/67/30/94/1220673094.db2.gz IFPNBKNHVNCNSW-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1C ZINC001102513984 1220673095 /nfs/dbraw/zinc/67/30/95/1220673095.db2.gz IFPNBKNHVNCNSW-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515131 1220674866 /nfs/dbraw/zinc/67/48/66/1220674866.db2.gz FTHKKFOVGPRVKP-HUUCEWRRSA-N 2 1 361.490 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102579072 1220701596 /nfs/dbraw/zinc/70/15/96/1220701596.db2.gz HDVLUUFXNPBANZ-OIISXLGYSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102579072 1220701600 /nfs/dbraw/zinc/70/16/00/1220701600.db2.gz HDVLUUFXNPBANZ-OIISXLGYSA-N 2 1 361.490 0.885 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580584 1220702717 /nfs/dbraw/zinc/70/27/17/1220702717.db2.gz CWGCBCPNPRBZMN-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001102580863 1220703433 /nfs/dbraw/zinc/70/34/33/1220703433.db2.gz ONXLSFDBKIVPOK-BMFZPTHFSA-N 2 1 357.462 0.655 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001102580863 1220703438 /nfs/dbraw/zinc/70/34/38/1220703438.db2.gz ONXLSFDBKIVPOK-BMFZPTHFSA-N 2 1 357.462 0.655 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588595 1220711128 /nfs/dbraw/zinc/71/11/28/1220711128.db2.gz FYQNRPHLJYTDBG-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588595 1220711130 /nfs/dbraw/zinc/71/11/30/1220711130.db2.gz FYQNRPHLJYTDBG-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588595 1220711131 /nfs/dbraw/zinc/71/11/31/1220711131.db2.gz FYQNRPHLJYTDBG-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102588595 1220711134 /nfs/dbraw/zinc/71/11/34/1220711134.db2.gz FYQNRPHLJYTDBG-OAGGEKHMSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588882 1220712220 /nfs/dbraw/zinc/71/22/20/1220712220.db2.gz OXMKNKAXTDIEGC-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588882 1220712230 /nfs/dbraw/zinc/71/22/30/1220712230.db2.gz OXMKNKAXTDIEGC-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588882 1220712234 /nfs/dbraw/zinc/71/22/34/1220712234.db2.gz OXMKNKAXTDIEGC-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001102588882 1220712243 /nfs/dbraw/zinc/71/22/43/1220712243.db2.gz OXMKNKAXTDIEGC-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102612893 1220731699 /nfs/dbraw/zinc/73/16/99/1220731699.db2.gz BTWJCEGJJOFSKX-SJLPKXTDSA-N 2 1 360.502 0.891 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102612893 1220731706 /nfs/dbraw/zinc/73/17/06/1220731706.db2.gz BTWJCEGJJOFSKX-SJLPKXTDSA-N 2 1 360.502 0.891 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001102612893 1220731715 /nfs/dbraw/zinc/73/17/15/1220731715.db2.gz BTWJCEGJJOFSKX-SJLPKXTDSA-N 2 1 360.502 0.891 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001102612893 1220731723 /nfs/dbraw/zinc/73/17/23/1220731723.db2.gz BTWJCEGJJOFSKX-SJLPKXTDSA-N 2 1 360.502 0.891 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819424 1220792690 /nfs/dbraw/zinc/79/26/90/1220792690.db2.gz TUWOWRFSCTYYPI-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819424 1220792696 /nfs/dbraw/zinc/79/26/96/1220792696.db2.gz TUWOWRFSCTYYPI-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819424 1220792701 /nfs/dbraw/zinc/79/27/01/1220792701.db2.gz TUWOWRFSCTYYPI-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819424 1220792707 /nfs/dbraw/zinc/79/27/07/1220792707.db2.gz TUWOWRFSCTYYPI-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085137 1220830899 /nfs/dbraw/zinc/83/08/99/1220830899.db2.gz HGQWXUHBZSUJMH-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP COCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085137 1220830900 /nfs/dbraw/zinc/83/09/00/1220830900.db2.gz HGQWXUHBZSUJMH-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001103085351 1220831182 /nfs/dbraw/zinc/83/11/82/1220831182.db2.gz RILNDQBUVFUYKC-BFYDXBDKSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001103085351 1220831184 /nfs/dbraw/zinc/83/11/84/1220831184.db2.gz RILNDQBUVFUYKC-BFYDXBDKSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001103085351 1220831187 /nfs/dbraw/zinc/83/11/87/1220831187.db2.gz RILNDQBUVFUYKC-BFYDXBDKSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090433 1220831231 /nfs/dbraw/zinc/83/12/31/1220831231.db2.gz VCXDDQSUWGTDPV-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090433 1220831234 /nfs/dbraw/zinc/83/12/34/1220831234.db2.gz VCXDDQSUWGTDPV-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090433 1220831236 /nfs/dbraw/zinc/83/12/36/1220831236.db2.gz VCXDDQSUWGTDPV-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090433 1220831238 /nfs/dbraw/zinc/83/12/38/1220831238.db2.gz VCXDDQSUWGTDPV-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090434 1220831281 /nfs/dbraw/zinc/83/12/81/1220831281.db2.gz VCXDDQSUWGTDPV-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090434 1220831285 /nfs/dbraw/zinc/83/12/85/1220831285.db2.gz VCXDDQSUWGTDPV-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090434 1220831286 /nfs/dbraw/zinc/83/12/86/1220831286.db2.gz VCXDDQSUWGTDPV-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@H](c1nnnn1C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090434 1220831288 /nfs/dbraw/zinc/83/12/88/1220831288.db2.gz VCXDDQSUWGTDPV-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136427 1220838912 /nfs/dbraw/zinc/83/89/12/1220838912.db2.gz CDLGYHLRCJSEDN-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136427 1220838913 /nfs/dbraw/zinc/83/89/13/1220838913.db2.gz CDLGYHLRCJSEDN-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136427 1220838918 /nfs/dbraw/zinc/83/89/18/1220838918.db2.gz CDLGYHLRCJSEDN-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136427 1220838919 /nfs/dbraw/zinc/83/89/19/1220838919.db2.gz CDLGYHLRCJSEDN-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148390 1220840739 /nfs/dbraw/zinc/84/07/39/1220840739.db2.gz ZVNZQVWJCZXEML-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148390 1220840742 /nfs/dbraw/zinc/84/07/42/1220840742.db2.gz ZVNZQVWJCZXEML-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148390 1220840743 /nfs/dbraw/zinc/84/07/43/1220840743.db2.gz ZVNZQVWJCZXEML-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157757 1220841995 /nfs/dbraw/zinc/84/19/95/1220841995.db2.gz BBKPBYCWBKIHBV-HZSPNIEDSA-N 2 1 369.510 0.374 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157757 1220841996 /nfs/dbraw/zinc/84/19/96/1220841996.db2.gz BBKPBYCWBKIHBV-HZSPNIEDSA-N 2 1 369.510 0.374 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157757 1220841997 /nfs/dbraw/zinc/84/19/97/1220841997.db2.gz BBKPBYCWBKIHBV-HZSPNIEDSA-N 2 1 369.510 0.374 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237352 1220855445 /nfs/dbraw/zinc/85/54/45/1220855445.db2.gz TYUQTEWKQAAXJI-QLFBSQMISA-N 2 1 361.490 0.710 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237352 1220855447 /nfs/dbraw/zinc/85/54/47/1220855447.db2.gz TYUQTEWKQAAXJI-QLFBSQMISA-N 2 1 361.490 0.710 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375034 1220872834 /nfs/dbraw/zinc/87/28/34/1220872834.db2.gz WBIOXTMXPJNREL-KFWWJZLASA-N 2 1 364.490 0.208 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376303 1220873748 /nfs/dbraw/zinc/87/37/48/1220873748.db2.gz UGUWEYXRMZLRPS-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376303 1220873753 /nfs/dbraw/zinc/87/37/53/1220873753.db2.gz UGUWEYXRMZLRPS-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438540 1220882816 /nfs/dbraw/zinc/88/28/16/1220882816.db2.gz OXMPBJIEJABKRC-HUUCEWRRSA-N 2 1 365.526 0.762 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438540 1220882819 /nfs/dbraw/zinc/88/28/19/1220882819.db2.gz OXMPBJIEJABKRC-HUUCEWRRSA-N 2 1 365.526 0.762 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001103438540 1220882821 /nfs/dbraw/zinc/88/28/21/1220882821.db2.gz OXMPBJIEJABKRC-HUUCEWRRSA-N 2 1 365.526 0.762 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001103438540 1220882823 /nfs/dbraw/zinc/88/28/23/1220882823.db2.gz OXMPBJIEJABKRC-HUUCEWRRSA-N 2 1 365.526 0.762 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537004 1220897200 /nfs/dbraw/zinc/89/72/00/1220897200.db2.gz MZGBWAASHYCEEO-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537004 1220897203 /nfs/dbraw/zinc/89/72/03/1220897203.db2.gz MZGBWAASHYCEEO-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537011 1220897420 /nfs/dbraw/zinc/89/74/20/1220897420.db2.gz NJXBPIWLBCWQAJ-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537011 1220897423 /nfs/dbraw/zinc/89/74/23/1220897423.db2.gz NJXBPIWLBCWQAJ-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583264 1220907044 /nfs/dbraw/zinc/90/70/44/1220907044.db2.gz OKURDQBNDMGVDT-QLFBSQMISA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583264 1220907057 /nfs/dbraw/zinc/90/70/57/1220907057.db2.gz OKURDQBNDMGVDT-QLFBSQMISA-N 2 1 370.457 0.829 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584550 1220908222 /nfs/dbraw/zinc/90/82/22/1220908222.db2.gz ZFECXGTXPTUIGG-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001103643793 1220926246 /nfs/dbraw/zinc/92/62/46/1220926246.db2.gz QMTQCTLKYUWEFE-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103647812 1220927030 /nfs/dbraw/zinc/92/70/30/1220927030.db2.gz FALCCWVDFBTBHG-CKEIUWERSA-N 2 1 359.474 0.724 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646878 1220927198 /nfs/dbraw/zinc/92/71/98/1220927198.db2.gz KCLMJGCRHXWUOD-QLFBSQMISA-N 2 1 361.494 0.441 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646878 1220927201 /nfs/dbraw/zinc/92/72/01/1220927201.db2.gz KCLMJGCRHXWUOD-QLFBSQMISA-N 2 1 361.494 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647101 1220927455 /nfs/dbraw/zinc/92/74/55/1220927455.db2.gz UOCOCVNBRUFNDD-IAGOWNOFSA-N 2 1 362.518 0.779 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103662731 1220932373 /nfs/dbraw/zinc/93/23/73/1220932373.db2.gz NRUDFXXOGURZRP-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103662731 1220932381 /nfs/dbraw/zinc/93/23/81/1220932381.db2.gz NRUDFXXOGURZRP-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103662731 1220932388 /nfs/dbraw/zinc/93/23/88/1220932388.db2.gz NRUDFXXOGURZRP-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001103718897 1220950845 /nfs/dbraw/zinc/95/08/45/1220950845.db2.gz JMHMBAPELLDRPV-KFWWJZLASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001103718897 1220950851 /nfs/dbraw/zinc/95/08/51/1220950851.db2.gz JMHMBAPELLDRPV-KFWWJZLASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001103718897 1220950855 /nfs/dbraw/zinc/95/08/55/1220950855.db2.gz JMHMBAPELLDRPV-KFWWJZLASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001103718897 1220950864 /nfs/dbraw/zinc/95/08/64/1220950864.db2.gz JMHMBAPELLDRPV-KFWWJZLASA-N 2 1 365.478 0.742 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757211 1220965640 /nfs/dbraw/zinc/96/56/40/1220965640.db2.gz QSGACVMRYBSMJF-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757211 1220965651 /nfs/dbraw/zinc/96/56/51/1220965651.db2.gz QSGACVMRYBSMJF-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757211 1220965654 /nfs/dbraw/zinc/96/56/54/1220965654.db2.gz QSGACVMRYBSMJF-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999557 1220996656 /nfs/dbraw/zinc/99/66/56/1220996656.db2.gz CNEAOHQYOMWBJK-ZACQAIPSSA-N 2 1 367.538 0.862 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034037 1221001637 /nfs/dbraw/zinc/00/16/37/1221001637.db2.gz QGFWCPGVVOCTLW-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034037 1221001641 /nfs/dbraw/zinc/00/16/41/1221001641.db2.gz QGFWCPGVVOCTLW-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811865 1221123375 /nfs/dbraw/zinc/12/33/75/1221123375.db2.gz UEGSZNMMEPANKK-UDHYTOICSA-N 2 1 363.502 0.857 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001111811865 1221123378 /nfs/dbraw/zinc/12/33/78/1221123378.db2.gz UEGSZNMMEPANKK-UDHYTOICSA-N 2 1 363.502 0.857 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001111811865 1221123382 /nfs/dbraw/zinc/12/33/82/1221123382.db2.gz UEGSZNMMEPANKK-UDHYTOICSA-N 2 1 363.502 0.857 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)CC1 ZINC001111860099 1221139565 /nfs/dbraw/zinc/13/95/65/1221139565.db2.gz PWRSHQRXWRYPBS-PXNSSMCTSA-N 2 1 362.518 0.825 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001111907442 1221160913 /nfs/dbraw/zinc/16/09/13/1221160913.db2.gz AHYZZENWUMOFAH-SCTDSRPQSA-N 2 1 363.506 0.557 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)on1 ZINC001111939472 1221179975 /nfs/dbraw/zinc/17/99/75/1221179975.db2.gz BKTOVMCVDOZVHJ-KSSFIOAISA-N 2 1 366.462 0.732 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)on1 ZINC001111939472 1221179977 /nfs/dbraw/zinc/17/99/77/1221179977.db2.gz BKTOVMCVDOZVHJ-KSSFIOAISA-N 2 1 366.462 0.732 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)Nc1ccon1)C2 ZINC001111949999 1221182212 /nfs/dbraw/zinc/18/22/12/1221182212.db2.gz ZAPRYJMBZMCNJU-KSSFIOAISA-N 2 1 363.462 0.926 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001111949370 1221182302 /nfs/dbraw/zinc/18/23/02/1221182302.db2.gz AUYDPFBUEXAYJW-SCTDSRPQSA-N 2 1 363.506 0.557 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)COCCOC)C2 ZINC001111952473 1221183032 /nfs/dbraw/zinc/18/30/32/1221183032.db2.gz JJFDTYGKHVBPBJ-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COCCOC)C2 ZINC001111952473 1221183035 /nfs/dbraw/zinc/18/30/35/1221183035.db2.gz JJFDTYGKHVBPBJ-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)COCCOC)C2 ZINC001111952473 1221183039 /nfs/dbraw/zinc/18/30/39/1221183039.db2.gz JJFDTYGKHVBPBJ-LNLFQRSKSA-N 2 1 371.522 0.323 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983129 1221192797 /nfs/dbraw/zinc/19/27/97/1221192797.db2.gz CJPIVCSSSRWUFL-LNLFQRSKSA-N 2 1 366.506 0.062 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983129 1221192799 /nfs/dbraw/zinc/19/27/99/1221192799.db2.gz CJPIVCSSSRWUFL-LNLFQRSKSA-N 2 1 366.506 0.062 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983129 1221192805 /nfs/dbraw/zinc/19/28/05/1221192805.db2.gz CJPIVCSSSRWUFL-LNLFQRSKSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112428076 1221257862 /nfs/dbraw/zinc/25/78/62/1221257862.db2.gz AIISVMGHTCYUOY-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112429349 1221257914 /nfs/dbraw/zinc/25/79/14/1221257914.db2.gz XBOYAIUHGCOMHF-LNLFQRSKSA-N 2 1 360.506 0.981 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692896 1226028131 /nfs/dbraw/zinc/02/81/31/1226028131.db2.gz MFPQXESLIZCRJG-RCCFBDPRSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000797371309 1221271187 /nfs/dbraw/zinc/27/11/87/1221271187.db2.gz GVOMZHHWHCUEKA-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000797371309 1221271190 /nfs/dbraw/zinc/27/11/90/1221271190.db2.gz GVOMZHHWHCUEKA-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229716432 1226030913 /nfs/dbraw/zinc/03/09/13/1226030913.db2.gz ITYNOZLZRBJTFV-HZPDHXFCSA-N 2 1 366.510 0.702 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543493 1221312793 /nfs/dbraw/zinc/31/27/93/1221312793.db2.gz LHGTZLHZSFYULJ-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001116075520 1221333863 /nfs/dbraw/zinc/33/38/63/1221333863.db2.gz AUOHCHUKNIQFLL-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229837713 1226036671 /nfs/dbraw/zinc/03/66/71/1226036671.db2.gz OPPYSXUBRDYFSU-RRFJBIMHSA-N 2 1 369.510 0.579 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001116845730 1221395640 /nfs/dbraw/zinc/39/56/40/1221395640.db2.gz YCUGPPOMVTVCRL-UHFFFAOYSA-N 2 1 359.434 0.410 20 0 FCADMP COc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCC(N)=O ZINC001116908898 1221402347 /nfs/dbraw/zinc/40/23/47/1221402347.db2.gz UVWRPOABGBOTOF-UHFFFAOYSA-N 2 1 364.490 0.675 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118033457 1221691258 /nfs/dbraw/zinc/69/12/58/1221691258.db2.gz KJBPDHDQZNOURB-OAHLLOKOSA-N 2 1 361.490 0.936 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C(C)C)C1 ZINC001230215029 1226064207 /nfs/dbraw/zinc/06/42/07/1226064207.db2.gz CPRAAQPKVRNMFD-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C(C)C)C1 ZINC001230215029 1226064211 /nfs/dbraw/zinc/06/42/11/1226064211.db2.gz CPRAAQPKVRNMFD-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC(N)=O ZINC001118424194 1221776791 /nfs/dbraw/zinc/77/67/91/1221776791.db2.gz TWXGYFCIUGYVBG-INIZCTEOSA-N 2 1 363.458 0.902 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001230284501 1226071678 /nfs/dbraw/zinc/07/16/78/1226071678.db2.gz IHOVMBNAAMFZNU-BRWVUGGUSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001230279406 1226070737 /nfs/dbraw/zinc/07/07/37/1226070737.db2.gz ASVGBTMEJFTBOA-IAGOWNOFSA-N 2 1 368.522 0.639 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001119362154 1221906220 /nfs/dbraw/zinc/90/62/20/1221906220.db2.gz ILOFBILMSSLPCP-FUHWJXTLSA-N 2 1 360.502 0.987 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119423645 1221916220 /nfs/dbraw/zinc/91/62/20/1221916220.db2.gz BBTOILXRIYWXLV-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001119427217 1221916598 /nfs/dbraw/zinc/91/65/98/1221916598.db2.gz ISZRTKDJQBDITR-CALCHBBNSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001119427217 1221916605 /nfs/dbraw/zinc/91/66/05/1221916605.db2.gz ISZRTKDJQBDITR-CALCHBBNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123632003 1222345235 /nfs/dbraw/zinc/34/52/35/1222345235.db2.gz XBVJODOCLNJBNR-RANZSIQMSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123632003 1222345245 /nfs/dbraw/zinc/34/52/45/1222345245.db2.gz XBVJODOCLNJBNR-RANZSIQMSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123632003 1222345251 /nfs/dbraw/zinc/34/52/51/1222345251.db2.gz XBVJODOCLNJBNR-RANZSIQMSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123695605 1222351552 /nfs/dbraw/zinc/35/15/52/1222351552.db2.gz UXMFGXVADWMSLV-AEFFLSMTSA-N 2 1 367.538 0.375 20 0 FCADMP CCc1noc(COCC(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)n1 ZINC000828140937 1222395438 /nfs/dbraw/zinc/39/54/38/1222395438.db2.gz IBOKFLAGXFTKLX-UHFFFAOYSA-N 2 1 360.418 0.934 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001139093963 1222539897 /nfs/dbraw/zinc/53/98/97/1222539897.db2.gz MUVOSAIFADWCLM-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000834708141 1222586242 /nfs/dbraw/zinc/58/62/42/1222586242.db2.gz QSWVFKJOVIXITN-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000834708141 1222586249 /nfs/dbraw/zinc/58/62/49/1222586249.db2.gz QSWVFKJOVIXITN-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C ZINC000834708141 1222586253 /nfs/dbraw/zinc/58/62/53/1222586253.db2.gz QSWVFKJOVIXITN-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C ZINC000834708141 1222586258 /nfs/dbraw/zinc/58/62/58/1222586258.db2.gz QSWVFKJOVIXITN-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](Cc1cnc3cc[nH]cc1-3)C[C@@H]2C(=O)N(C)C ZINC001140806681 1222615127 /nfs/dbraw/zinc/61/51/27/1222615127.db2.gz NWGZAOXLUMSCBB-MRXNPFEDSA-N 2 1 355.442 0.931 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1cnc3cc[nH]cc1-3)C[C@@H]2C(=O)N(C)C ZINC001140806681 1222615132 /nfs/dbraw/zinc/61/51/32/1222615132.db2.gz NWGZAOXLUMSCBB-MRXNPFEDSA-N 2 1 355.442 0.931 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C[C@@H]2C(=O)N(C)C ZINC001140806681 1222615138 /nfs/dbraw/zinc/61/51/38/1222615138.db2.gz NWGZAOXLUMSCBB-MRXNPFEDSA-N 2 1 355.442 0.931 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)C[C@@H]2C(=O)N(C)C ZINC001140806681 1222615140 /nfs/dbraw/zinc/61/51/40/1222615140.db2.gz NWGZAOXLUMSCBB-MRXNPFEDSA-N 2 1 355.442 0.931 20 0 FCADMP COc1cccc([C@@H](O)C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c1 ZINC001277672124 1226154378 /nfs/dbraw/zinc/15/43/78/1226154378.db2.gz ADSQTCHSHAHMEV-KRWDZBQOSA-N 2 1 363.458 0.203 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151988 1222810116 /nfs/dbraw/zinc/81/01/16/1222810116.db2.gz PDALQLZGBFKMRO-MRXNPFEDSA-N 2 1 359.474 0.635 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926227 1222832020 /nfs/dbraw/zinc/83/20/20/1222832020.db2.gz CBOWTXHIGAPPJS-SFHVURJKSA-N 2 1 373.501 0.636 20 0 FCADMP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000841931067 1222832228 /nfs/dbraw/zinc/83/22/28/1222832228.db2.gz PFZSSIDZUGBWLA-KRWDZBQOSA-N 2 1 359.474 0.294 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000842035664 1222833265 /nfs/dbraw/zinc/83/32/65/1222833265.db2.gz OBSFQGAVWWVRQS-OAHLLOKOSA-N 2 1 358.446 0.826 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000843244210 1222862103 /nfs/dbraw/zinc/86/21/03/1222862103.db2.gz MEOKMZIHCSJFFD-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000843244210 1222862107 /nfs/dbraw/zinc/86/21/07/1222862107.db2.gz MEOKMZIHCSJFFD-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363943 1222873478 /nfs/dbraw/zinc/87/34/78/1222873478.db2.gz WEBULVMHWLRKBG-UHFFFAOYSA-N 2 1 360.458 0.242 20 0 FCADMP CC[C@@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843377734 1222874778 /nfs/dbraw/zinc/87/47/78/1222874778.db2.gz UJUANZVCNVRNRX-ZIAGYGMSSA-N 2 1 365.478 0.722 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703916 1226164457 /nfs/dbraw/zinc/16/44/57/1226164457.db2.gz ISTWFYDJLQGVJX-PXNSSMCTSA-N 2 1 361.486 0.912 20 0 FCADMP Nc1cn(C(=O)c2ccn3c[nH+]cc3c2)ccc1=[NH+]CCN1CCOCC1 ZINC001151896973 1222937128 /nfs/dbraw/zinc/93/71/28/1222937128.db2.gz NYQBWXIVGRJMPD-UHFFFAOYSA-N 2 1 366.425 0.639 20 0 FCADMP CC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001277712743 1226169336 /nfs/dbraw/zinc/16/93/36/1226169336.db2.gz KXSHOTGLFVFTOE-QZTJIDSGSA-N 2 1 366.550 0.613 20 0 FCADMP C[NH+](C)C[C@@H]1COCCN1c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001154983612 1223021773 /nfs/dbraw/zinc/02/17/73/1223021773.db2.gz DHSHXOHKENYCJD-OAHLLOKOSA-N 2 1 361.494 0.839 20 0 FCADMP CCOC(=O)c1c[nH]c2nc[nH+]c(NCc3nnn4c3C[NH2+]CCC4)c12 ZINC001155393505 1223034722 /nfs/dbraw/zinc/03/47/22/1223034722.db2.gz BMCLCWHMJVBLCO-UHFFFAOYSA-N 2 1 356.390 0.832 20 0 FCADMP C(C[C@H]1CCOC12C[NH2+]C2)Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001155479441 1223035594 /nfs/dbraw/zinc/03/55/94/1223035594.db2.gz WYKBWXQDPJANHO-ZDUSSCGKSA-N 2 1 360.462 0.097 20 0 FCADMP O=c1cc(CNc2ccc(N3CC[NH2+]CC3)cn2)nc2n1CCC[NH2+]C2 ZINC001155488584 1223036833 /nfs/dbraw/zinc/03/68/33/1223036833.db2.gz AHDBRFDBTLCRLN-UHFFFAOYSA-N 2 1 355.446 0.153 20 0 FCADMP C1[NH2+]Cc2c1nc(N[C@H]1CCCC[C@@]13C[NH2+]CCO3)nc2N1CCOCC1 ZINC001155833827 1223045405 /nfs/dbraw/zinc/04/54/05/1223045405.db2.gz QFMCPNVRCFDWJQ-QFBILLFUSA-N 2 1 374.489 0.630 20 0 FCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc2nnc(-c3cccnc3)n2c1 ZINC001156252572 1223052495 /nfs/dbraw/zinc/05/24/95/1223052495.db2.gz VQUBGCUUIKNQEX-UHFFFAOYSA-N 2 1 352.402 0.866 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001157354615 1223075177 /nfs/dbraw/zinc/07/51/77/1223075177.db2.gz GXQUYBJGYDGKGR-SJORKVTESA-N 2 1 362.474 0.227 20 0 FCADMP [NH3+]CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCCC1 ZINC001157370917 1223075736 /nfs/dbraw/zinc/07/57/36/1223075736.db2.gz KVMJVNIKSAWWKB-ROUUACIJSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC[N@H+]1C ZINC001158428776 1223097494 /nfs/dbraw/zinc/09/74/94/1223097494.db2.gz RSFTWIWKZFQKST-UKRRQHHQSA-N 2 1 367.494 0.191 20 0 FCADMP CCn1nnc2c1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@H]2COCc1ccccc1 ZINC001159246592 1223121656 /nfs/dbraw/zinc/12/16/56/1223121656.db2.gz IMVYUQQUHYTTLN-RDJZCZTQSA-N 2 1 372.473 0.617 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159349381 1223125254 /nfs/dbraw/zinc/12/52/54/1223125254.db2.gz FOHATUCGXDUCKI-FUHWJXTLSA-N 2 1 365.478 0.018 20 0 FCADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](N)C[NH3+])C2)C1 ZINC001159349381 1223125256 /nfs/dbraw/zinc/12/52/56/1223125256.db2.gz FOHATUCGXDUCKI-FUHWJXTLSA-N 2 1 365.478 0.018 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001159411413 1223126356 /nfs/dbraw/zinc/12/63/56/1223126356.db2.gz BKAWVWGAFYFRFD-ZWKOTPCHSA-N 2 1 358.486 0.865 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)CC[C@@H]21 ZINC001159534739 1223129430 /nfs/dbraw/zinc/12/94/30/1223129430.db2.gz QESQXTATOZRQAN-LXZJYRNTSA-N 2 1 374.533 0.664 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)[C@@H]2C ZINC001159634133 1223131801 /nfs/dbraw/zinc/13/18/01/1223131801.db2.gz WKPJBOFBFKQEOM-CZUORRHYSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@@H]2C ZINC001159634133 1223131802 /nfs/dbraw/zinc/13/18/02/1223131802.db2.gz WKPJBOFBFKQEOM-CZUORRHYSA-N 2 1 359.478 0.920 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)[C@@H]2C ZINC001159634133 1223131803 /nfs/dbraw/zinc/13/18/03/1223131803.db2.gz WKPJBOFBFKQEOM-CZUORRHYSA-N 2 1 359.478 0.920 20 0 FCADMP NC1(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159856618 1223138029 /nfs/dbraw/zinc/13/80/29/1223138029.db2.gz VKPMCPZWYLMNEY-NVXWUHKLSA-N 3 1 362.449 0.571 20 0 FCADMP NC1(C(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159856618 1223138031 /nfs/dbraw/zinc/13/80/31/1223138031.db2.gz VKPMCPZWYLMNEY-NVXWUHKLSA-N 3 1 362.449 0.571 20 0 FCADMP N[C@@H](CC[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888683 1223138791 /nfs/dbraw/zinc/13/87/91/1223138791.db2.gz VBNIWGMVKCMUEF-DOTOQJQBSA-N 2 1 367.444 0.817 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888683 1223138794 /nfs/dbraw/zinc/13/87/94/1223138794.db2.gz VBNIWGMVKCMUEF-DOTOQJQBSA-N 3 1 367.444 0.817 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888683 1223138795 /nfs/dbraw/zinc/13/87/95/1223138795.db2.gz VBNIWGMVKCMUEF-DOTOQJQBSA-N 3 1 367.444 0.817 20 0 FCADMP [NH3+]C[C@@H](O)CC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159887455 1223139085 /nfs/dbraw/zinc/13/90/85/1223139085.db2.gz VVXHRGOJYJEEQN-RDJZCZTQSA-N 2 1 368.428 0.851 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001159966608 1223141342 /nfs/dbraw/zinc/14/13/42/1223141342.db2.gz HYQGWDKWTXWFEW-SCTDSRPQSA-N 2 1 362.474 0.672 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001160036428 1223143333 /nfs/dbraw/zinc/14/33/33/1223143333.db2.gz QIVWBLAXAMZXGP-QGZVFWFLSA-N 2 1 355.442 0.844 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160180499 1223148942 /nfs/dbraw/zinc/14/89/42/1223148942.db2.gz UNVXYGMVDCRTMU-UHFFFAOYSA-N 2 1 371.441 0.875 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422499 1223158947 /nfs/dbraw/zinc/15/89/47/1223158947.db2.gz HACXNTPTRZZKGT-VINWQNLFSA-N 2 1 358.486 0.863 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CCn3cccn3)CC2)O1 ZINC001160467893 1223160986 /nfs/dbraw/zinc/16/09/86/1223160986.db2.gz YQCQHLHJPHIELT-SJLPKXTDSA-N 2 1 361.490 0.741 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CCn3cccn3)CC2)O1 ZINC001160467893 1223160990 /nfs/dbraw/zinc/16/09/90/1223160990.db2.gz YQCQHLHJPHIELT-SJLPKXTDSA-N 2 1 361.490 0.741 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](CCn3cccn3)CC2)O1 ZINC001160467893 1223160993 /nfs/dbraw/zinc/16/09/93/1223160993.db2.gz YQCQHLHJPHIELT-SJLPKXTDSA-N 2 1 361.490 0.741 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](CCn3cccn3)CC2)O1 ZINC001160467893 1223160996 /nfs/dbraw/zinc/16/09/96/1223160996.db2.gz YQCQHLHJPHIELT-SJLPKXTDSA-N 2 1 361.490 0.741 20 0 FCADMP CCOC(=O)[C@@H]1CCc2nnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)cc2C1 ZINC001160517960 1223163456 /nfs/dbraw/zinc/16/34/56/1223163456.db2.gz RYETUCHJNYDGQK-BFUOFWGJSA-N 2 1 359.474 0.980 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC001160576150 1223165230 /nfs/dbraw/zinc/16/52/30/1223165230.db2.gz PWRLHBSKIHNXFJ-SFHVURJKSA-N 2 1 373.501 0.250 20 0 FCADMP COc1ccc2c(C[C@H]([NH3+])C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc(=O)oc2c1 ZINC001160705199 1223169174 /nfs/dbraw/zinc/16/91/74/1223169174.db2.gz UTJPGXYRTMOEPM-VBQJREDUSA-N 2 1 371.437 0.691 20 0 FCADMP CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160787566 1223172602 /nfs/dbraw/zinc/17/26/02/1223172602.db2.gz LHDRYBZQSSQOFP-DZGCQCFKSA-N 2 1 361.446 0.273 20 0 FCADMP CNC(=O)c1cccc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001160856948 1223177691 /nfs/dbraw/zinc/17/76/91/1223177691.db2.gz AOOSDFMVDBUYGS-RHSMWYFYSA-N 2 1 362.474 0.361 20 0 FCADMP CNC(=O)c1cccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001160856948 1223177693 /nfs/dbraw/zinc/17/76/93/1223177693.db2.gz AOOSDFMVDBUYGS-RHSMWYFYSA-N 2 1 362.474 0.361 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001160857963 1223177927 /nfs/dbraw/zinc/17/79/27/1223177927.db2.gz UMDPEQLIDQPVIX-IJEWVQPXSA-N 2 1 366.462 0.099 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001160857963 1223177930 /nfs/dbraw/zinc/17/79/30/1223177930.db2.gz UMDPEQLIDQPVIX-IJEWVQPXSA-N 2 1 366.462 0.099 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCc2ccc3c(c2)CCO3)O1 ZINC001160857374 1223178125 /nfs/dbraw/zinc/17/81/25/1223178125.db2.gz GVXVGAMPCMWBMY-DNVCBOLYSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCc2ccc3c(c2)CCO3)O1 ZINC001160857374 1223178131 /nfs/dbraw/zinc/17/81/31/1223178131.db2.gz GVXVGAMPCMWBMY-DNVCBOLYSA-N 2 1 361.486 0.979 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001160857927 1223178333 /nfs/dbraw/zinc/17/83/33/1223178333.db2.gz SCDMABZCAKGGNQ-IXDOHACOSA-N 2 1 370.538 0.835 20 0 FCADMP CC(C)N(C(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001160857927 1223178335 /nfs/dbraw/zinc/17/83/35/1223178335.db2.gz SCDMABZCAKGGNQ-IXDOHACOSA-N 2 1 370.538 0.835 20 0 FCADMP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958022 1223182033 /nfs/dbraw/zinc/18/20/33/1223182033.db2.gz WVCALHPTIPDCLP-ZBFHGGJFSA-N 2 1 371.489 0.536 20 0 FCADMP [NH3+]C1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCN(Cc2ccccc2)CC1 ZINC001160999466 1223182632 /nfs/dbraw/zinc/18/26/32/1223182632.db2.gz FDMRUMBJPCHTQH-SFHVURJKSA-N 2 1 372.513 0.695 20 0 FCADMP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198419 1223189100 /nfs/dbraw/zinc/18/91/00/1223189100.db2.gz QODTYEWHQVWGMG-MSOLQXFVSA-N 3 1 370.513 0.485 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001161196815 1223189425 /nfs/dbraw/zinc/18/94/25/1223189425.db2.gz SGBIXSOLKXGZLL-UYAOXDASSA-N 3 1 364.534 0.537 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001161253445 1223192768 /nfs/dbraw/zinc/19/27/68/1223192768.db2.gz SSOYWULDNDBWND-BRWVUGGUSA-N 2 1 371.485 0.941 20 0 FCADMP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376723 1223197280 /nfs/dbraw/zinc/19/72/80/1223197280.db2.gz CSFREWUSZAZLSS-MOPGFXCFSA-N 3 1 360.502 0.945 20 0 FCADMP C[N@@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161500999 1223202908 /nfs/dbraw/zinc/20/29/08/1223202908.db2.gz WNIWHNRDGHMKOH-MDKPJZGXSA-N 2 1 370.497 0.644 20 0 FCADMP O=C(c1nnn2c1C[NH2+]CC2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161590681 1223205553 /nfs/dbraw/zinc/20/55/53/1223205553.db2.gz FNDGIODIPDEWHD-UHFFFAOYSA-N 2 1 352.442 0.659 20 0 FCADMP CS(=O)(=O)c1nc2c(c(NCc3[nH+]cn4ccccc34)n1)CC[NH2+]CC2 ZINC001161680546 1223206041 /nfs/dbraw/zinc/20/60/41/1223206041.db2.gz GOTBWKDPJCUDEE-UHFFFAOYSA-N 2 1 372.454 0.828 20 0 FCADMP COCCOc1nccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)n1 ZINC001162114456 1223210946 /nfs/dbraw/zinc/21/09/46/1223210946.db2.gz JIFVBQXEEYWYGY-UHFFFAOYSA-N 2 1 359.434 0.831 20 0 FCADMP CNC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817024 1223219908 /nfs/dbraw/zinc/21/99/08/1223219908.db2.gz MAEJJGHLTDBAGE-SJLPKXTDSA-N 2 1 360.502 0.734 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH2+]CC(N)=O)CCc2ccccc2)CC[N@H+]1C ZINC001162810122 1223220259 /nfs/dbraw/zinc/22/02/59/1223220259.db2.gz DVECZZUBKYAWOZ-ZWKOTPCHSA-N 2 1 360.502 0.863 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001164526348 1223239423 /nfs/dbraw/zinc/23/94/23/1223239423.db2.gz DYDYXGCYBADZTL-MSOLQXFVSA-N 2 1 358.486 0.564 20 0 FCADMP NC(=O)[C@@H]1CN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070890 1223241065 /nfs/dbraw/zinc/24/10/65/1223241065.db2.gz CBVRJYXLFALSCE-KRWDZBQOSA-N 2 1 352.442 0.298 20 0 FCADMP NC(=O)[C@H]1CN(c2ncnc3c2CN(Cc2ccccc2)CC3)CC[NH2+]1 ZINC001165071216 1223241286 /nfs/dbraw/zinc/24/12/86/1223241286.db2.gz FRNDIPYFTKABDE-QGZVFWFLSA-N 2 1 352.442 0.298 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728320 1223255309 /nfs/dbraw/zinc/25/53/09/1223255309.db2.gz POQNSVKAIXALFC-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728320 1223255312 /nfs/dbraw/zinc/25/53/12/1223255312.db2.gz POQNSVKAIXALFC-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728864 1223255677 /nfs/dbraw/zinc/25/56/77/1223255677.db2.gz WGKOFFPFLZQHCU-ARFHVFGLSA-N 2 1 368.522 0.496 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728864 1223255679 /nfs/dbraw/zinc/25/56/79/1223255679.db2.gz WGKOFFPFLZQHCU-ARFHVFGLSA-N 2 1 368.522 0.496 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728753 1223255726 /nfs/dbraw/zinc/25/57/26/1223255726.db2.gz SXTUTJVIUQFLMJ-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728753 1223255728 /nfs/dbraw/zinc/25/57/28/1223255728.db2.gz SXTUTJVIUQFLMJ-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP CCc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)on1 ZINC001203217356 1223293180 /nfs/dbraw/zinc/29/31/80/1223293180.db2.gz CFBFQOASCGAWQU-UHFFFAOYSA-N 2 1 363.506 0.907 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001205216453 1223316772 /nfs/dbraw/zinc/31/67/72/1223316772.db2.gz DANFKMFMGGNZMS-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001205216453 1223316775 /nfs/dbraw/zinc/31/67/75/1223316775.db2.gz DANFKMFMGGNZMS-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001205216453 1223316778 /nfs/dbraw/zinc/31/67/78/1223316778.db2.gz DANFKMFMGGNZMS-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP COCCOC[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205335293 1223320179 /nfs/dbraw/zinc/32/01/79/1223320179.db2.gz WNNHSFVQLUWLOL-KBAYOESNSA-N 2 1 371.522 0.179 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205452392 1223324323 /nfs/dbraw/zinc/32/43/23/1223324323.db2.gz DEUHSUFKVCGESK-RRQGHBQHSA-N 2 1 364.465 0.925 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205519180 1223330093 /nfs/dbraw/zinc/33/00/93/1223330093.db2.gz YQCWKPYNFUABLD-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205519180 1223330096 /nfs/dbraw/zinc/33/00/96/1223330096.db2.gz YQCWKPYNFUABLD-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001206347409 1223356651 /nfs/dbraw/zinc/35/66/51/1223356651.db2.gz WUXYNPOZDIEIIA-MSOLQXFVSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1CCC(C[N@H+]2Cc3nccn3C[C@H](Cn3ncccc3=O)C2)CC1 ZINC001207397279 1223443084 /nfs/dbraw/zinc/44/30/84/1223443084.db2.gz IFIFBWGZEPJHKC-QGZVFWFLSA-N 2 1 356.474 0.914 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2Cc3nccn3C[C@H](Cn3ncccc3=O)C2)CC1 ZINC001207397279 1223443089 /nfs/dbraw/zinc/44/30/89/1223443089.db2.gz IFIFBWGZEPJHKC-QGZVFWFLSA-N 2 1 356.474 0.914 20 0 FCADMP C[NH+]1CCC(C[N@H+]2Cc3nccn3C[C@@H](Cn3ncccc3=O)C2)CC1 ZINC001207397278 1223443432 /nfs/dbraw/zinc/44/34/32/1223443432.db2.gz IFIFBWGZEPJHKC-KRWDZBQOSA-N 2 1 356.474 0.914 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2Cc3nccn3C[C@@H](Cn3ncccc3=O)C2)CC1 ZINC001207397278 1223443433 /nfs/dbraw/zinc/44/34/33/1223443433.db2.gz IFIFBWGZEPJHKC-KRWDZBQOSA-N 2 1 356.474 0.914 20 0 FCADMP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001207397719 1223443485 /nfs/dbraw/zinc/44/34/85/1223443485.db2.gz RCLPONWGBUBNPX-BRWVUGGUSA-N 2 1 361.490 0.724 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207397133 1223443585 /nfs/dbraw/zinc/44/35/85/1223443585.db2.gz DFQWFWRGMORWPX-UHFFFAOYSA-N 2 1 360.502 0.679 20 0 FCADMP O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436395 1223446389 /nfs/dbraw/zinc/44/63/89/1223446389.db2.gz BBTWJTJRFPYQRU-RYQLBKOJSA-N 2 1 359.474 0.685 20 0 FCADMP O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2CC1CC[NH2+]CC1)c1ccnnc1 ZINC001207436393 1223446833 /nfs/dbraw/zinc/44/68/33/1223446833.db2.gz BBTWJTJRFPYQRU-CGTJXYLNSA-N 2 1 359.474 0.685 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705417 1223472418 /nfs/dbraw/zinc/47/24/18/1223472418.db2.gz ADZJFIDPTOKLGE-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705417 1223472422 /nfs/dbraw/zinc/47/24/22/1223472422.db2.gz ADZJFIDPTOKLGE-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766786 1223478592 /nfs/dbraw/zinc/47/85/92/1223478592.db2.gz ISCGTNNDWLLENE-RHSMWYFYSA-N 2 1 359.474 0.623 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766786 1223478595 /nfs/dbraw/zinc/47/85/95/1223478595.db2.gz ISCGTNNDWLLENE-RHSMWYFYSA-N 2 1 359.474 0.623 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859765 1223486571 /nfs/dbraw/zinc/48/65/71/1223486571.db2.gz WQZUBFGNDWJTCC-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208074644 1223514265 /nfs/dbraw/zinc/51/42/65/1223514265.db2.gz ZYXKBYFPOIJSSP-SOUVJXGZSA-N 2 1 367.494 0.143 20 0 FCADMP Cn1nnc2cc(C[N@H+]3CC[C@@]4(CCN(CC[NH+](C)C)C4=O)C3)ccc21 ZINC001276567142 1223527428 /nfs/dbraw/zinc/52/74/28/1223527428.db2.gz VYYJXXCPYGAQBK-LJQANCHMSA-N 2 1 356.474 0.954 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441328 1223545843 /nfs/dbraw/zinc/54/58/43/1223545843.db2.gz FMWWRRSFYOTIJW-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441328 1223545849 /nfs/dbraw/zinc/54/58/49/1223545849.db2.gz FMWWRRSFYOTIJW-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441308 1223546630 /nfs/dbraw/zinc/54/66/30/1223546630.db2.gz FDAMMLWYISLPSY-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441308 1223546636 /nfs/dbraw/zinc/54/66/36/1223546636.db2.gz FDAMMLWYISLPSY-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001208596649 1223561336 /nfs/dbraw/zinc/56/13/36/1223561336.db2.gz WJHQRSNAFJGYPV-HXUWFJFHSA-N 2 1 366.550 0.879 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208708485 1223571576 /nfs/dbraw/zinc/57/15/76/1223571576.db2.gz XOAXFCOJGXDZTG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208708485 1223571581 /nfs/dbraw/zinc/57/15/81/1223571581.db2.gz XOAXFCOJGXDZTG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COC(=O)c1cccc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276589498 1223580091 /nfs/dbraw/zinc/58/00/91/1223580091.db2.gz UTJHAHZTPQWNLV-IBGZPJMESA-N 2 1 360.458 0.854 20 0 FCADMP CCOC(=O)[C@H]1CN(C2COC2)C(=O)C12CC[NH+](CCC[NH+](C)C)CC2 ZINC001276609580 1223593639 /nfs/dbraw/zinc/59/36/39/1223593639.db2.gz JRORSJIWGJNNAQ-MRXNPFEDSA-N 2 1 367.490 0.441 20 0 FCADMP Cc1cccc(CO[C@@H]2C[C@@H]3CN(CCN4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289504 1223607822 /nfs/dbraw/zinc/60/78/22/1223607822.db2.gz DKUFSPBFDBKHBE-WOJBJXKFSA-N 2 1 360.502 0.997 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209333613 1223611540 /nfs/dbraw/zinc/61/15/40/1223611540.db2.gz JPBPGRGLNUWIHD-MDASCCDHSA-N 2 1 360.502 0.816 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001209342070 1223612223 /nfs/dbraw/zinc/61/22/23/1223612223.db2.gz RIIRGDMPKBGBIB-MRXNPFEDSA-N 2 1 360.502 0.819 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478704 1223623422 /nfs/dbraw/zinc/62/34/22/1223623422.db2.gz YKHYNMDQFVOSQQ-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001209642206 1223636331 /nfs/dbraw/zinc/63/63/31/1223636331.db2.gz DEYUOLDLNFTDAH-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001209642206 1223636334 /nfs/dbraw/zinc/63/63/34/1223636334.db2.gz DEYUOLDLNFTDAH-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298234 1223681409 /nfs/dbraw/zinc/68/14/09/1223681409.db2.gz MMWFXQYPSYPFDD-IXDOHACOSA-N 2 1 370.538 0.552 20 0 FCADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298234 1223681411 /nfs/dbraw/zinc/68/14/11/1223681411.db2.gz MMWFXQYPSYPFDD-IXDOHACOSA-N 2 1 370.538 0.552 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427307 1223691013 /nfs/dbraw/zinc/69/10/13/1223691013.db2.gz SVIKFLJEMMFIEA-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427307 1223691017 /nfs/dbraw/zinc/69/10/17/1223691017.db2.gz SVIKFLJEMMFIEA-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001211046291 1223721426 /nfs/dbraw/zinc/72/14/26/1223721426.db2.gz MGQZJPIOUVOCAC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C ZINC001211045877 1223722049 /nfs/dbraw/zinc/72/20/49/1223722049.db2.gz DICRUCUAXHSMRQ-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350780 1223736140 /nfs/dbraw/zinc/73/61/40/1223736140.db2.gz YALSNQKQBCUCPS-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350780 1223736144 /nfs/dbraw/zinc/73/61/44/1223736144.db2.gz YALSNQKQBCUCPS-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001211364472 1223737004 /nfs/dbraw/zinc/73/70/04/1223737004.db2.gz JHTVZTMBTCERSU-JFIYKMOQSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001211364472 1223737008 /nfs/dbraw/zinc/73/70/08/1223737008.db2.gz JHTVZTMBTCERSU-JFIYKMOQSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001211367544 1223737663 /nfs/dbraw/zinc/73/76/63/1223737663.db2.gz VARZIZGPASDQSS-ZIAGYGMSSA-N 2 1 367.494 0.094 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001211367544 1223737666 /nfs/dbraw/zinc/73/76/66/1223737666.db2.gz VARZIZGPASDQSS-ZIAGYGMSSA-N 2 1 367.494 0.094 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001211367544 1223737668 /nfs/dbraw/zinc/73/76/68/1223737668.db2.gz VARZIZGPASDQSS-ZIAGYGMSSA-N 2 1 367.494 0.094 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219449 1223769899 /nfs/dbraw/zinc/76/98/99/1223769899.db2.gz SRJBHZXTGDOZFX-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219449 1223769903 /nfs/dbraw/zinc/76/99/03/1223769903.db2.gz SRJBHZXTGDOZFX-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219449 1223769908 /nfs/dbraw/zinc/76/99/08/1223769908.db2.gz SRJBHZXTGDOZFX-QZTJIDSGSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224284 1223772076 /nfs/dbraw/zinc/77/20/76/1223772076.db2.gz VJCPFLLQCGRJNI-IAGOWNOFSA-N 2 1 363.506 0.963 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336292 1223786952 /nfs/dbraw/zinc/78/69/52/1223786952.db2.gz VMNBBHDAEATHPL-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336292 1223786953 /nfs/dbraw/zinc/78/69/53/1223786953.db2.gz VMNBBHDAEATHPL-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346694 1223788601 /nfs/dbraw/zinc/78/86/01/1223788601.db2.gz YTTPZWUXUJTYBM-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346694 1223788604 /nfs/dbraw/zinc/78/86/04/1223788604.db2.gz YTTPZWUXUJTYBM-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374505 1223792020 /nfs/dbraw/zinc/79/20/20/1223792020.db2.gz JKQJSEOTAHQJIZ-GVDBMIGSSA-N 2 1 370.538 0.787 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374505 1223792021 /nfs/dbraw/zinc/79/20/21/1223792021.db2.gz JKQJSEOTAHQJIZ-GVDBMIGSSA-N 2 1 370.538 0.787 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581043 1223817475 /nfs/dbraw/zinc/81/74/75/1223817475.db2.gz NPMZGUQEDXGSQX-KZNAEPCWSA-N 2 1 369.506 0.483 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581043 1223817476 /nfs/dbraw/zinc/81/74/76/1223817476.db2.gz NPMZGUQEDXGSQX-KZNAEPCWSA-N 2 1 369.506 0.483 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678248 1223831592 /nfs/dbraw/zinc/83/15/92/1223831592.db2.gz LPYUFBRGKDDKEN-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678248 1223831593 /nfs/dbraw/zinc/83/15/93/1223831593.db2.gz LPYUFBRGKDDKEN-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678248 1223831595 /nfs/dbraw/zinc/83/15/95/1223831595.db2.gz LPYUFBRGKDDKEN-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213678248 1223831596 /nfs/dbraw/zinc/83/15/96/1223831596.db2.gz LPYUFBRGKDDKEN-OWCLPIDISA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cn(CC)nn4)C[C@H]32)CC[N@@H+]1C ZINC000978160364 1248710901 /nfs/dbraw/zinc/71/09/01/1248710901.db2.gz UXDOPZGYEHBQAC-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cn(CC)nn4)C[C@H]32)CC[N@H+]1C ZINC000978160364 1248710908 /nfs/dbraw/zinc/71/09/08/1248710908.db2.gz UXDOPZGYEHBQAC-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cn(CC)nn4)C[C@H]32)CC[NH+]1C ZINC000978160364 1248710914 /nfs/dbraw/zinc/71/09/14/1248710914.db2.gz UXDOPZGYEHBQAC-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cn(CC)nn4)C[C@H]32)CC[NH+]1C ZINC000978160364 1248710918 /nfs/dbraw/zinc/71/09/18/1248710918.db2.gz UXDOPZGYEHBQAC-NNPSNHGLSA-N 2 1 360.506 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213745219 1223843025 /nfs/dbraw/zinc/84/30/25/1223843025.db2.gz YRWRJMAGAVXODO-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747483 1223843422 /nfs/dbraw/zinc/84/34/22/1223843422.db2.gz JTNDNUDXVBURDF-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747483 1223843423 /nfs/dbraw/zinc/84/34/23/1223843423.db2.gz JTNDNUDXVBURDF-GVDBMIGSSA-N 2 1 370.538 0.791 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747757 1223843783 /nfs/dbraw/zinc/84/37/83/1223843783.db2.gz QALRRGZBOGXKAI-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747757 1223843784 /nfs/dbraw/zinc/84/37/84/1223843784.db2.gz QALRRGZBOGXKAI-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213765001 1223846121 /nfs/dbraw/zinc/84/61/21/1223846121.db2.gz ONNNQOOGEYPLDL-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213765001 1223846122 /nfs/dbraw/zinc/84/61/22/1223846122.db2.gz ONNNQOOGEYPLDL-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213765001 1223846123 /nfs/dbraw/zinc/84/61/23/1223846123.db2.gz ONNNQOOGEYPLDL-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213801958 1223852371 /nfs/dbraw/zinc/85/23/71/1223852371.db2.gz IBSKKWIPNONXAX-CGTJXYLNSA-N 2 1 364.490 0.985 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871710 1223865523 /nfs/dbraw/zinc/86/55/23/1223865523.db2.gz DEPZDTLPNAQXSS-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871710 1223865524 /nfs/dbraw/zinc/86/55/24/1223865524.db2.gz DEPZDTLPNAQXSS-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914438 1223871065 /nfs/dbraw/zinc/87/10/65/1223871065.db2.gz FZMHLXAXYOZNKH-RCCFBDPRSA-N 2 1 365.474 0.185 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001213931076 1223874972 /nfs/dbraw/zinc/87/49/72/1223874972.db2.gz BWDMYWOUYAHTIT-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001213931076 1223874973 /nfs/dbraw/zinc/87/49/73/1223874973.db2.gz BWDMYWOUYAHTIT-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931951 1223875724 /nfs/dbraw/zinc/87/57/24/1223875724.db2.gz SPUBSEPCPJLMNI-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931951 1223875726 /nfs/dbraw/zinc/87/57/26/1223875726.db2.gz SPUBSEPCPJLMNI-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001214666024 1223930767 /nfs/dbraw/zinc/93/07/67/1223930767.db2.gz QULLNQOIENTBDS-QKPAOTATSA-N 2 1 374.489 0.582 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214952786 1223959255 /nfs/dbraw/zinc/95/92/55/1223959255.db2.gz MDVXLKFOJCHWIZ-MUIFIZLQSA-N 2 1 368.522 0.447 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214952786 1223959259 /nfs/dbraw/zinc/95/92/59/1223959259.db2.gz MDVXLKFOJCHWIZ-MUIFIZLQSA-N 2 1 368.522 0.447 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215409610 1223998076 /nfs/dbraw/zinc/99/80/76/1223998076.db2.gz AOCWJZZWACVOJW-UWWQBHOKSA-N 2 1 364.490 0.853 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001215414358 1223998640 /nfs/dbraw/zinc/99/86/40/1223998640.db2.gz UZMKLGFUIMURFF-UKRRQHHQSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC001215938675 1224025637 /nfs/dbraw/zinc/02/56/37/1224025637.db2.gz JFFOTLZIXBKDMP-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216506699 1224053758 /nfs/dbraw/zinc/05/37/58/1224053758.db2.gz MMQXCUBIZSOWLG-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757561 1224069151 /nfs/dbraw/zinc/06/91/51/1224069151.db2.gz CVOVNYCDHVXKNL-IIAWOOMASA-N 2 1 365.478 0.169 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216853515 1224078932 /nfs/dbraw/zinc/07/89/32/1224078932.db2.gz FCSKXOSDZRORQM-VNHYZAJKSA-N 2 1 367.494 0.140 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n(C)n1 ZINC001216853964 1224078958 /nfs/dbraw/zinc/07/89/58/1224078958.db2.gz PIKAAWHWXPKOKB-UKRRQHHQSA-N 2 1 364.494 0.444 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987518357 1249072761 /nfs/dbraw/zinc/07/27/61/1249072761.db2.gz RQACGZRKWDYRMZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987518357 1249072774 /nfs/dbraw/zinc/07/27/74/1249072774.db2.gz RQACGZRKWDYRMZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993435141 1249532008 /nfs/dbraw/zinc/53/20/08/1249532008.db2.gz HRPXXVMEFULIGR-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CCC1 ZINC000993606418 1249793903 /nfs/dbraw/zinc/79/39/03/1249793903.db2.gz KTKOIBOXDZJFBS-BZUAXINKSA-N 2 1 359.474 0.583 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994027921 1250152861 /nfs/dbraw/zinc/15/28/61/1250152861.db2.gz AXKJLORWIZHCED-IXDOHACOSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCN1C ZINC000823783886 1245320722 /nfs/dbraw/zinc/32/07/22/1245320722.db2.gz DBAGCVWDTGBOGG-QRFRQXIXSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000823783886 1245320725 /nfs/dbraw/zinc/32/07/25/1245320725.db2.gz DBAGCVWDTGBOGG-QRFRQXIXSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000823783886 1245320726 /nfs/dbraw/zinc/32/07/26/1245320726.db2.gz DBAGCVWDTGBOGG-QRFRQXIXSA-N 2 1 360.502 0.374 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4nonc43)C2)CC1 ZINC000847508491 1245342055 /nfs/dbraw/zinc/34/20/55/1245342055.db2.gz CPNQGICCZWLYCX-LBPRGKRZSA-N 2 1 372.429 0.446 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000849112778 1245393311 /nfs/dbraw/zinc/39/33/11/1245393311.db2.gz CDSVCWNGMDQJSO-HNNXBMFYSA-N 2 1 369.510 0.910 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538724 1245453455 /nfs/dbraw/zinc/45/34/55/1245453455.db2.gz SGIMWHCLOKBRFE-QXSJWSMHSA-N 2 1 365.478 0.437 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563255 1245455730 /nfs/dbraw/zinc/45/57/30/1245455730.db2.gz BRVQHQXSJBSKHL-IAGOWNOFSA-N 2 1 367.538 0.470 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911503558 1245501516 /nfs/dbraw/zinc/50/15/16/1245501516.db2.gz PAFZJZRFDJETGI-UHFFFAOYSA-N 2 1 358.486 0.965 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)CC2)c1 ZINC000911558796 1245514137 /nfs/dbraw/zinc/51/41/37/1245514137.db2.gz UUMAFHYEULOBCP-MRXNPFEDSA-N 2 1 359.474 0.687 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564331 1245514579 /nfs/dbraw/zinc/51/45/79/1245514579.db2.gz SVQMUAGYGZKOQL-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564331 1245514587 /nfs/dbraw/zinc/51/45/87/1245514587.db2.gz SVQMUAGYGZKOQL-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919642235 1245610300 /nfs/dbraw/zinc/61/03/00/1245610300.db2.gz JSHFJGCFYRCCNT-ATIFRJIPSA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919642235 1245610305 /nfs/dbraw/zinc/61/03/05/1245610305.db2.gz JSHFJGCFYRCCNT-ATIFRJIPSA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919642235 1245610311 /nfs/dbraw/zinc/61/03/11/1245610311.db2.gz JSHFJGCFYRCCNT-ATIFRJIPSA-N 2 1 368.522 0.486 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939881172 1246183225 /nfs/dbraw/zinc/18/32/25/1246183225.db2.gz ZYFKQPWQVZTKIR-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CCOC4CCC4)C3)CC2)CC[N@@H+]1C ZINC000941412901 1246608148 /nfs/dbraw/zinc/60/81/48/1246608148.db2.gz OYVFPFNKAKIUPG-VQIMIIECSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CCOC4CCC4)C3)CC2)CC[N@H+]1C ZINC000941412901 1246608155 /nfs/dbraw/zinc/60/81/55/1246608155.db2.gz OYVFPFNKAKIUPG-VQIMIIECSA-N 2 1 364.534 0.724 20 0 FCADMP CO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549235 1247124404 /nfs/dbraw/zinc/12/44/04/1247124404.db2.gz LGKGKVLRGPKZMA-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000942596035 1247153540 /nfs/dbraw/zinc/15/35/40/1247153540.db2.gz QAQMYELIMWCGRJ-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000943263247 1247278617 /nfs/dbraw/zinc/27/86/17/1247278617.db2.gz JXDCIDFDFMBCOD-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000943263247 1247278625 /nfs/dbraw/zinc/27/86/25/1247278625.db2.gz JXDCIDFDFMBCOD-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946429830 1247812655 /nfs/dbraw/zinc/81/26/55/1247812655.db2.gz CWAGRUVCYQKPKN-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839683 1265440605 /nfs/dbraw/zinc/44/06/05/1265440605.db2.gz KDBALZWVFJHKTQ-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000946771324 1248002808 /nfs/dbraw/zinc/00/28/08/1248002808.db2.gz ZOFWDQSTNXUVQA-FVQBIDKESA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946771324 1248002819 /nfs/dbraw/zinc/00/28/19/1248002819.db2.gz ZOFWDQSTNXUVQA-FVQBIDKESA-N 2 1 363.462 0.018 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C ZINC000977199340 1248568872 /nfs/dbraw/zinc/56/88/72/1248568872.db2.gz NCVAIYZRUKERCG-JLOCXQCDSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC000977199340 1248568880 /nfs/dbraw/zinc/56/88/80/1248568880.db2.gz NCVAIYZRUKERCG-JLOCXQCDSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC000977199340 1248568888 /nfs/dbraw/zinc/56/88/88/1248568888.db2.gz NCVAIYZRUKERCG-JLOCXQCDSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335254 1250385333 /nfs/dbraw/zinc/38/53/33/1250385333.db2.gz JAWJLNNHYVRDLH-BRWVUGGUSA-N 2 1 362.518 0.635 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)C[NH+]2CCCC2)CC3)C1 ZINC000995307219 1250793994 /nfs/dbraw/zinc/79/39/94/1250793994.db2.gz PURCRMRJAYQJIX-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001328410554 1265540876 /nfs/dbraw/zinc/54/08/76/1265540876.db2.gz RGQPZBYAYCGSLT-GOSISDBHSA-N 2 1 367.538 0.567 20 0 FCADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996713926 1251421890 /nfs/dbraw/zinc/42/18/90/1251421890.db2.gz ZAFRGVDEHBZYIP-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996713926 1251421895 /nfs/dbraw/zinc/42/18/95/1251421895.db2.gz ZAFRGVDEHBZYIP-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996713456 1251422700 /nfs/dbraw/zinc/42/27/00/1251422700.db2.gz VHAVFSJHLXHSPO-CZUORRHYSA-N 2 1 364.494 0.406 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996713456 1251422704 /nfs/dbraw/zinc/42/27/04/1251422704.db2.gz VHAVFSJHLXHSPO-CZUORRHYSA-N 2 1 364.494 0.406 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)O1 ZINC000996720197 1251424548 /nfs/dbraw/zinc/42/45/48/1251424548.db2.gz RWYAFNZYRSXJON-DNVCBOLYSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)O1 ZINC000996720197 1251424555 /nfs/dbraw/zinc/42/45/55/1251424555.db2.gz RWYAFNZYRSXJON-DNVCBOLYSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1)C(N)=O ZINC000997036205 1251477335 /nfs/dbraw/zinc/47/73/35/1251477335.db2.gz WPAYNNSZKGEADS-QGTPRVQTSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000997861658 1251727461 /nfs/dbraw/zinc/72/74/61/1251727461.db2.gz ZLNVNJJFDBTCNF-IJEWVQPXSA-N 2 1 364.494 0.423 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000997861658 1251727466 /nfs/dbraw/zinc/72/74/66/1251727466.db2.gz ZLNVNJJFDBTCNF-IJEWVQPXSA-N 2 1 364.494 0.423 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC000998467035 1251890205 /nfs/dbraw/zinc/89/02/05/1251890205.db2.gz RCUYCFQDZSINQZ-IKGGRYGDSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000998472448 1251892862 /nfs/dbraw/zinc/89/28/62/1251892862.db2.gz PCAJUYHABAOCMJ-MTSZKFMLSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000998472448 1251892875 /nfs/dbraw/zinc/89/28/75/1251892875.db2.gz PCAJUYHABAOCMJ-MTSZKFMLSA-N 2 1 359.474 0.780 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998652532 1251941625 /nfs/dbraw/zinc/94/16/25/1251941625.db2.gz BMBAAYJMMYADSK-YVSFHVDLSA-N 2 1 360.502 0.672 20 0 FCADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000998987308 1252016849 /nfs/dbraw/zinc/01/68/49/1252016849.db2.gz NIESNUUJUWMCRA-TWRYWWQQSA-N 2 1 363.462 0.283 20 0 FCADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000998987308 1252016861 /nfs/dbraw/zinc/01/68/61/1252016861.db2.gz NIESNUUJUWMCRA-TWRYWWQQSA-N 2 1 363.462 0.283 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495903 1252127472 /nfs/dbraw/zinc/12/74/72/1252127472.db2.gz MDMLOKFHRUDPQY-KBRIMQKVSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999495903 1252127476 /nfs/dbraw/zinc/12/74/76/1252127476.db2.gz MDMLOKFHRUDPQY-KBRIMQKVSA-N 2 1 364.494 0.195 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002483866 1252571486 /nfs/dbraw/zinc/57/14/86/1252571486.db2.gz XUTZSBJJYMFDRZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002483866 1252571496 /nfs/dbraw/zinc/57/14/96/1252571496.db2.gz XUTZSBJJYMFDRZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002483866 1252571508 /nfs/dbraw/zinc/57/15/08/1252571508.db2.gz XUTZSBJJYMFDRZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002483866 1252571517 /nfs/dbraw/zinc/57/15/17/1252571517.db2.gz XUTZSBJJYMFDRZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001002501252 1252578617 /nfs/dbraw/zinc/57/86/17/1252578617.db2.gz ZIZBCHBYGYJGSX-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001002501252 1252578622 /nfs/dbraw/zinc/57/86/22/1252578622.db2.gz ZIZBCHBYGYJGSX-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001002501252 1252578630 /nfs/dbraw/zinc/57/86/30/1252578630.db2.gz ZIZBCHBYGYJGSX-KBAYOESNSA-N 2 1 364.534 0.879 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC001002613305 1252617317 /nfs/dbraw/zinc/61/73/17/1252617317.db2.gz JUELLXZZBIUIPB-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001002793573 1252677298 /nfs/dbraw/zinc/67/72/98/1252677298.db2.gz BOQJRBVRYRTUHF-VQHPVUNQSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001002793573 1252677305 /nfs/dbraw/zinc/67/73/05/1252677305.db2.gz BOQJRBVRYRTUHF-VQHPVUNQSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001002793573 1252677319 /nfs/dbraw/zinc/67/73/19/1252677319.db2.gz BOQJRBVRYRTUHF-VQHPVUNQSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001002832639 1252694684 /nfs/dbraw/zinc/69/46/84/1252694684.db2.gz PMVIQAQLARCKCD-OAGGEKHMSA-N 2 1 357.458 0.535 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCN3CCCC3=O)CC2)O1 ZINC001003142891 1252792225 /nfs/dbraw/zinc/79/22/25/1252792225.db2.gz FEMOGTLKKPNOGA-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCN3CCCC3=O)CC2)O1 ZINC001003142891 1252792229 /nfs/dbraw/zinc/79/22/29/1252792229.db2.gz FEMOGTLKKPNOGA-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1N1CC[NH+](C)CC1 ZINC001329131926 1265700172 /nfs/dbraw/zinc/70/01/72/1265700172.db2.gz DCDDJGAPJWMAKM-QGZVFWFLSA-N 2 1 373.501 0.896 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004390646 1253312234 /nfs/dbraw/zinc/31/22/34/1253312234.db2.gz JWZQOIQZPUJVLK-VQHPVUNQSA-N 2 1 360.502 0.672 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001329283957 1265725973 /nfs/dbraw/zinc/72/59/73/1265725973.db2.gz NIQCTZZXSKOZBG-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001329283957 1265725979 /nfs/dbraw/zinc/72/59/79/1265725979.db2.gz NIQCTZZXSKOZBG-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642427 1265742202 /nfs/dbraw/zinc/74/22/02/1265742202.db2.gz UBJZGEAAPRIBAV-MRXNPFEDSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642427 1265742208 /nfs/dbraw/zinc/74/22/08/1265742208.db2.gz UBJZGEAAPRIBAV-MRXNPFEDSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001519642427 1265742213 /nfs/dbraw/zinc/74/22/13/1265742213.db2.gz UBJZGEAAPRIBAV-MRXNPFEDSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001519642427 1265742220 /nfs/dbraw/zinc/74/22/20/1265742220.db2.gz UBJZGEAAPRIBAV-MRXNPFEDSA-N 2 1 354.495 0.712 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026917250 1253848885 /nfs/dbraw/zinc/84/88/85/1253848885.db2.gz YFESDTGDZUVTEZ-BFYDXBDKSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)n1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026917250 1253848892 /nfs/dbraw/zinc/84/88/92/1253848892.db2.gz YFESDTGDZUVTEZ-BFYDXBDKSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027418491 1253851141 /nfs/dbraw/zinc/85/11/41/1253851141.db2.gz DYRZHOLVZOLNNA-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027418491 1253851160 /nfs/dbraw/zinc/85/11/60/1253851160.db2.gz DYRZHOLVZOLNNA-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027418491 1253851176 /nfs/dbraw/zinc/85/11/76/1253851176.db2.gz DYRZHOLVZOLNNA-IXDOHACOSA-N 2 1 365.522 0.665 20 0 FCADMP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)nnn1C1CC[NH2+]CC1 ZINC001329521782 1265775591 /nfs/dbraw/zinc/77/55/91/1265775591.db2.gz PCMKGTGSTJLYGV-MRXNPFEDSA-N 2 1 355.446 0.693 20 0 FCADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001034675609 1254001224 /nfs/dbraw/zinc/00/12/24/1254001224.db2.gz QSXPOXDHRDYSML-YFHUEUNASA-N 2 1 363.506 0.965 20 0 FCADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001034675609 1254001239 /nfs/dbraw/zinc/00/12/39/1254001239.db2.gz QSXPOXDHRDYSML-YFHUEUNASA-N 2 1 363.506 0.965 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC3)C1=O ZINC001035708461 1254056812 /nfs/dbraw/zinc/05/68/12/1254056812.db2.gz HXTVVDHASRBRLR-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC3)C1=O ZINC001035708461 1254056820 /nfs/dbraw/zinc/05/68/20/1254056820.db2.gz HXTVVDHASRBRLR-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+](CC)CC)CC[N@H+]1C ZINC001061623198 1254194644 /nfs/dbraw/zinc/19/46/44/1254194644.db2.gz VYQVEGKOYVIHMY-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)O1 ZINC001062330227 1254258803 /nfs/dbraw/zinc/25/88/03/1254258803.db2.gz XOERHZPWKYQHAW-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)O1 ZINC001062330227 1254258808 /nfs/dbraw/zinc/25/88/08/1254258808.db2.gz XOERHZPWKYQHAW-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001520191998 1265872914 /nfs/dbraw/zinc/87/29/14/1265872914.db2.gz PFVMOAJWWDUROG-CVEARBPZSA-N 2 1 355.527 0.109 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001075798697 1254620576 /nfs/dbraw/zinc/62/05/76/1254620576.db2.gz LCIYQLMESSRVHB-OKZBNKHCSA-N 2 1 360.502 0.483 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001075798697 1254620584 /nfs/dbraw/zinc/62/05/84/1254620584.db2.gz LCIYQLMESSRVHB-OKZBNKHCSA-N 2 1 360.502 0.483 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566559 1254699023 /nfs/dbraw/zinc/69/90/23/1254699023.db2.gz GAKAYJPJBKYATO-GUDVDZBRSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566559 1254699039 /nfs/dbraw/zinc/69/90/39/1254699039.db2.gz GAKAYJPJBKYATO-GUDVDZBRSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566559 1254699053 /nfs/dbraw/zinc/69/90/53/1254699053.db2.gz GAKAYJPJBKYATO-GUDVDZBRSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)C1 ZINC001077566559 1254699068 /nfs/dbraw/zinc/69/90/68/1254699068.db2.gz GAKAYJPJBKYATO-GUDVDZBRSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077777426 1254977770 /nfs/dbraw/zinc/97/77/70/1254977770.db2.gz LFQMGWKXHZTGBT-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077777426 1254977783 /nfs/dbraw/zinc/97/77/83/1254977783.db2.gz LFQMGWKXHZTGBT-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077777426 1254977797 /nfs/dbraw/zinc/97/77/97/1254977797.db2.gz LFQMGWKXHZTGBT-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077777426 1254977808 /nfs/dbraw/zinc/97/78/08/1254977808.db2.gz LFQMGWKXHZTGBT-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174503 1255288175 /nfs/dbraw/zinc/28/81/75/1255288175.db2.gz NKCKZCVZDVRNMO-KZNAEPCWSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174503 1255288183 /nfs/dbraw/zinc/28/81/83/1255288183.db2.gz NKCKZCVZDVRNMO-KZNAEPCWSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174503 1255288188 /nfs/dbraw/zinc/28/81/88/1255288188.db2.gz NKCKZCVZDVRNMO-KZNAEPCWSA-N 2 1 354.454 0.848 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206194 1255320114 /nfs/dbraw/zinc/32/01/14/1255320114.db2.gz SLSVKTKAEQCILW-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206194 1255320124 /nfs/dbraw/zinc/32/01/24/1255320124.db2.gz SLSVKTKAEQCILW-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206194 1255320132 /nfs/dbraw/zinc/32/01/32/1255320132.db2.gz SLSVKTKAEQCILW-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2O)C1 ZINC001078206194 1255320138 /nfs/dbraw/zinc/32/01/38/1255320138.db2.gz SLSVKTKAEQCILW-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001078403507 1255407718 /nfs/dbraw/zinc/40/77/18/1255407718.db2.gz ARSTUHAHFKYCMX-YESZJQIVSA-N 2 1 364.494 0.253 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405256 1255408864 /nfs/dbraw/zinc/40/88/64/1255408864.db2.gz JJVDGFNDRIXFOC-IXDOHACOSA-N 2 1 363.506 0.950 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)on1 ZINC001078404995 1255409043 /nfs/dbraw/zinc/40/90/43/1255409043.db2.gz AZDQBJHOWYDQQO-FVQBIDKESA-N 2 1 366.462 0.731 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)on1 ZINC001078404995 1255409046 /nfs/dbraw/zinc/40/90/46/1255409046.db2.gz AZDQBJHOWYDQQO-FVQBIDKESA-N 2 1 366.462 0.731 20 0 FCADMP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418594 1255410243 /nfs/dbraw/zinc/41/02/43/1255410243.db2.gz RWNKQAPHDLNGLD-XOKHGSTOSA-N 2 1 366.462 0.409 20 0 FCADMP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418594 1255410248 /nfs/dbraw/zinc/41/02/48/1255410248.db2.gz RWNKQAPHDLNGLD-XOKHGSTOSA-N 2 1 366.462 0.409 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001079847552 1255632145 /nfs/dbraw/zinc/63/21/45/1255632145.db2.gz LKJPPDJBZYFKHB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001079847552 1255632148 /nfs/dbraw/zinc/63/21/48/1255632148.db2.gz LKJPPDJBZYFKHB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001079847552 1255632151 /nfs/dbraw/zinc/63/21/51/1255632151.db2.gz LKJPPDJBZYFKHB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001079847552 1255632156 /nfs/dbraw/zinc/63/21/56/1255632156.db2.gz LKJPPDJBZYFKHB-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160924 1255766224 /nfs/dbraw/zinc/76/62/24/1255766224.db2.gz DWGRYKACQLXUQR-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160924 1255766231 /nfs/dbraw/zinc/76/62/31/1255766231.db2.gz DWGRYKACQLXUQR-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160924 1255766237 /nfs/dbraw/zinc/76/62/37/1255766237.db2.gz DWGRYKACQLXUQR-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080160924 1255766246 /nfs/dbraw/zinc/76/62/46/1255766246.db2.gz DWGRYKACQLXUQR-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161324 1255766722 /nfs/dbraw/zinc/76/67/22/1255766722.db2.gz WWEALJJWACVHJV-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161324 1255766723 /nfs/dbraw/zinc/76/67/23/1255766723.db2.gz WWEALJJWACVHJV-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161324 1255766731 /nfs/dbraw/zinc/76/67/31/1255766731.db2.gz WWEALJJWACVHJV-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080161324 1255766736 /nfs/dbraw/zinc/76/67/36/1255766736.db2.gz WWEALJJWACVHJV-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161174 1255766858 /nfs/dbraw/zinc/76/68/58/1255766858.db2.gz PLWQSNASVSWTQF-YSISEGQHSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161174 1255766861 /nfs/dbraw/zinc/76/68/61/1255766861.db2.gz PLWQSNASVSWTQF-YSISEGQHSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161174 1255766865 /nfs/dbraw/zinc/76/68/65/1255766865.db2.gz PLWQSNASVSWTQF-YSISEGQHSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161174 1255766870 /nfs/dbraw/zinc/76/68/70/1255766870.db2.gz PLWQSNASVSWTQF-YSISEGQHSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456079 1255896241 /nfs/dbraw/zinc/89/62/41/1255896241.db2.gz MXHAYIYMAZZJSL-BZUAXINKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456079 1255896245 /nfs/dbraw/zinc/89/62/45/1255896245.db2.gz MXHAYIYMAZZJSL-BZUAXINKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456079 1255896250 /nfs/dbraw/zinc/89/62/50/1255896250.db2.gz MXHAYIYMAZZJSL-BZUAXINKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593133 1255946474 /nfs/dbraw/zinc/94/64/74/1255946474.db2.gz KHTAQZHOMFLFAX-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593133 1255946483 /nfs/dbraw/zinc/94/64/83/1255946483.db2.gz KHTAQZHOMFLFAX-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787735 1256038712 /nfs/dbraw/zinc/03/87/12/1256038712.db2.gz PPZKRHLOTRBKDE-RHSMWYFYSA-N 2 1 356.470 0.818 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789294 1256040782 /nfs/dbraw/zinc/04/07/82/1256040782.db2.gz YOMOHQKVTHPDKI-BZUAXINKSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080876886 1256069461 /nfs/dbraw/zinc/06/94/61/1256069461.db2.gz USHCYVNTBYCBOT-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081125669 1256188227 /nfs/dbraw/zinc/18/82/27/1256188227.db2.gz LUHBDXHZEVATTL-JCGIZDLHSA-N 2 1 358.486 0.929 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799295 1256378020 /nfs/dbraw/zinc/37/80/20/1256378020.db2.gz KXEQJPQGMFCIPA-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799295 1256378033 /nfs/dbraw/zinc/37/80/33/1256378033.db2.gz KXEQJPQGMFCIPA-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799295 1256378039 /nfs/dbraw/zinc/37/80/39/1256378039.db2.gz KXEQJPQGMFCIPA-RCCFBDPRSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959796 1256474897 /nfs/dbraw/zinc/47/48/97/1256474897.db2.gz YIGUUPMODNKLEO-KJBWJIBOSA-N 2 1 371.481 0.865 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959796 1256474900 /nfs/dbraw/zinc/47/49/00/1256474900.db2.gz YIGUUPMODNKLEO-KJBWJIBOSA-N 2 1 371.481 0.865 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959796 1256474901 /nfs/dbraw/zinc/47/49/01/1256474901.db2.gz YIGUUPMODNKLEO-KJBWJIBOSA-N 2 1 371.481 0.865 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001082103777 1256535932 /nfs/dbraw/zinc/53/59/32/1256535932.db2.gz ZGAZMONDNSGCAB-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)O1 ZINC001082145022 1256561367 /nfs/dbraw/zinc/56/13/67/1256561367.db2.gz OFIFLSVPOKPJIM-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)O1 ZINC001082145022 1256561373 /nfs/dbraw/zinc/56/13/73/1256561373.db2.gz OFIFLSVPOKPJIM-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001082200117 1256586473 /nfs/dbraw/zinc/58/64/73/1256586473.db2.gz RPTHPWKADHPUJN-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001082200117 1256586479 /nfs/dbraw/zinc/58/64/79/1256586479.db2.gz RPTHPWKADHPUJN-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001082200117 1256586483 /nfs/dbraw/zinc/58/64/83/1256586483.db2.gz RPTHPWKADHPUJN-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001082200117 1256586486 /nfs/dbraw/zinc/58/64/86/1256586486.db2.gz RPTHPWKADHPUJN-KZNAEPCWSA-N 2 1 363.506 0.961 20 0 FCADMP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515203 1256799468 /nfs/dbraw/zinc/79/94/68/1256799468.db2.gz DXYFIJSKKBPTEV-XOKHGSTOSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082515586 1256801193 /nfs/dbraw/zinc/80/11/93/1256801193.db2.gz RMCHRAAZCFNKAS-DAXOMENPSA-N 2 1 359.478 0.286 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082520385 1256803347 /nfs/dbraw/zinc/80/33/47/1256803347.db2.gz TTZNGTMKNKARGS-RRCSTGOVSA-N 2 1 360.506 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082520385 1256803355 /nfs/dbraw/zinc/80/33/55/1256803355.db2.gz TTZNGTMKNKARGS-RRCSTGOVSA-N 2 1 360.506 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001082522005 1256804710 /nfs/dbraw/zinc/80/47/10/1256804710.db2.gz MULIOIJTYHPWNU-QKPAOTATSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082559382 1256858329 /nfs/dbraw/zinc/85/83/29/1256858329.db2.gz DCWJCBIQUVOUPR-XNRPHZJLSA-N 2 1 363.510 0.705 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590486 1256904196 /nfs/dbraw/zinc/90/41/96/1256904196.db2.gz YWJYMCDQAAKFQJ-BQGCOEIASA-N 2 1 364.494 0.051 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590486 1256904201 /nfs/dbraw/zinc/90/42/01/1256904201.db2.gz YWJYMCDQAAKFQJ-BQGCOEIASA-N 2 1 364.494 0.051 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590083 1256904606 /nfs/dbraw/zinc/90/46/06/1256904606.db2.gz BFDVYQLTSBKQTL-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590083 1256904610 /nfs/dbraw/zinc/90/46/10/1256904610.db2.gz BFDVYQLTSBKQTL-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082596190 1256908186 /nfs/dbraw/zinc/90/81/86/1256908186.db2.gz ZIOCSQYTFMYHNQ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082596190 1256908190 /nfs/dbraw/zinc/90/81/90/1256908190.db2.gz ZIOCSQYTFMYHNQ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082608939 1256919511 /nfs/dbraw/zinc/91/95/11/1256919511.db2.gz INCRCBLWWXJHMB-CXAGYDPISA-N 2 1 360.462 0.763 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001082645215 1256950443 /nfs/dbraw/zinc/95/04/43/1256950443.db2.gz OFUNRQORQZEWJX-CZUORRHYSA-N 2 1 368.445 0.981 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082653554 1256957333 /nfs/dbraw/zinc/95/73/33/1256957333.db2.gz QNUOIGIPIRWSBH-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082653305 1256958051 /nfs/dbraw/zinc/95/80/51/1256958051.db2.gz FCQOPCPSGOIKPY-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653651 1256959684 /nfs/dbraw/zinc/95/96/84/1256959684.db2.gz WHQPBMKYZICGQY-TYZOZAEZSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653651 1256959690 /nfs/dbraw/zinc/95/96/90/1256959690.db2.gz WHQPBMKYZICGQY-TYZOZAEZSA-N 2 1 371.485 0.585 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001082703405 1256995070 /nfs/dbraw/zinc/99/50/70/1256995070.db2.gz RMJOPEONSCLTEI-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001082703405 1256995073 /nfs/dbraw/zinc/99/50/73/1256995073.db2.gz RMJOPEONSCLTEI-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082742505 1257022740 /nfs/dbraw/zinc/02/27/40/1257022740.db2.gz HXJNEJXFKZGGLT-HBUWYVDXSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082742505 1257022747 /nfs/dbraw/zinc/02/27/47/1257022747.db2.gz HXJNEJXFKZGGLT-HBUWYVDXSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082742475 1257023060 /nfs/dbraw/zinc/02/30/60/1257023060.db2.gz HBLMFZJDBAAPGK-LBTNJELSSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082742475 1257023069 /nfs/dbraw/zinc/02/30/69/1257023069.db2.gz HBLMFZJDBAAPGK-LBTNJELSSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082742226 1257023302 /nfs/dbraw/zinc/02/33/02/1257023302.db2.gz WQOAVKQOTSWVOY-RRFJBIMHSA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082742226 1257023310 /nfs/dbraw/zinc/02/33/10/1257023310.db2.gz WQOAVKQOTSWVOY-RRFJBIMHSA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114090 1266084749 /nfs/dbraw/zinc/08/47/49/1266084749.db2.gz UUPMRWPOFDGIIV-ZACQAIPSSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114090 1266084755 /nfs/dbraw/zinc/08/47/55/1266084755.db2.gz UUPMRWPOFDGIIV-ZACQAIPSSA-N 2 1 350.507 0.524 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082783440 1257048180 /nfs/dbraw/zinc/04/81/80/1257048180.db2.gz YOELLKXUDLFEKG-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114088 1266085682 /nfs/dbraw/zinc/08/56/82/1266085682.db2.gz UUPMRWPOFDGIIV-IKGGRYGDSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)C1([NH+]2CCOCC2)CCCC1 ZINC001521114088 1266085688 /nfs/dbraw/zinc/08/56/88/1266085688.db2.gz UUPMRWPOFDGIIV-IKGGRYGDSA-N 2 1 350.507 0.524 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082808085 1257066290 /nfs/dbraw/zinc/06/62/90/1257066290.db2.gz UJCKDZZTANHSNK-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001082827011 1257083921 /nfs/dbraw/zinc/08/39/21/1257083921.db2.gz XHRCFQNSOFRKQF-UHOFOFEASA-N 2 1 356.430 0.581 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001082827010 1257084210 /nfs/dbraw/zinc/08/42/10/1257084210.db2.gz XHRCFQNSOFRKQF-DAXOMENPSA-N 2 1 356.430 0.581 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)C1 ZINC001082933668 1257154533 /nfs/dbraw/zinc/15/45/33/1257154533.db2.gz DSCGACJCWNYBBX-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)C1 ZINC001082933668 1257154535 /nfs/dbraw/zinc/15/45/35/1257154535.db2.gz DSCGACJCWNYBBX-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001082933873 1257154687 /nfs/dbraw/zinc/15/46/87/1257154687.db2.gz MTTBNJJBAGOHSH-OIISXLGYSA-N 2 1 362.474 0.043 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001082933873 1257154690 /nfs/dbraw/zinc/15/46/90/1257154690.db2.gz MTTBNJJBAGOHSH-OIISXLGYSA-N 2 1 362.474 0.043 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)C1 ZINC001082934016 1257155080 /nfs/dbraw/zinc/15/50/80/1257155080.db2.gz UDVHCUOQAAVNLX-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)C1 ZINC001082934016 1257155084 /nfs/dbraw/zinc/15/50/84/1257155084.db2.gz UDVHCUOQAAVNLX-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082944389 1257160641 /nfs/dbraw/zinc/16/06/41/1257160641.db2.gz SCDXDBVPHQTUEP-SUMDDJOVSA-N 2 1 358.486 0.958 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083083915 1257284736 /nfs/dbraw/zinc/28/47/36/1257284736.db2.gz REXYOJARLMJIEX-GBESFXJTSA-N 2 1 363.502 0.666 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106581 1257321469 /nfs/dbraw/zinc/32/14/69/1257321469.db2.gz KWSIVCJPOKUOHS-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106581 1257321476 /nfs/dbraw/zinc/32/14/76/1257321476.db2.gz KWSIVCJPOKUOHS-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106581 1257321486 /nfs/dbraw/zinc/32/14/86/1257321486.db2.gz KWSIVCJPOKUOHS-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21)[NH+](C)C ZINC001083119600 1257352452 /nfs/dbraw/zinc/35/24/52/1257352452.db2.gz BBEKIZGNKDCHGN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21)[NH+](C)C ZINC001083119600 1257352461 /nfs/dbraw/zinc/35/24/61/1257352461.db2.gz BBEKIZGNKDCHGN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001521342601 1266113264 /nfs/dbraw/zinc/11/32/64/1266113264.db2.gz LZIQEQRDFLEKEV-KSZLIROESA-N 2 1 369.554 0.763 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083749940 1257488719 /nfs/dbraw/zinc/48/87/19/1257488719.db2.gz XWCKYUMONZMWPT-QRVBRYPASA-N 2 1 361.486 0.093 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001083750154 1257488878 /nfs/dbraw/zinc/48/88/78/1257488878.db2.gz HZHGTGMQGYLZIZ-MSOLQXFVSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001083750154 1257488883 /nfs/dbraw/zinc/48/88/83/1257488883.db2.gz HZHGTGMQGYLZIZ-MSOLQXFVSA-N 2 1 365.449 0.708 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750156 1257488896 /nfs/dbraw/zinc/48/88/96/1257488896.db2.gz IBJXZCSPLKWSOG-MSOLQXFVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750156 1257488900 /nfs/dbraw/zinc/48/89/00/1257488900.db2.gz IBJXZCSPLKWSOG-MSOLQXFVSA-N 2 1 361.486 0.877 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC001330969517 1266124040 /nfs/dbraw/zinc/12/40/40/1266124040.db2.gz IDGACOCMMUYHCV-LJQANCHMSA-N 2 1 358.486 0.816 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H](O)C2)cc1 ZINC001083851216 1257608406 /nfs/dbraw/zinc/60/84/06/1257608406.db2.gz SNOSAXBKZFSFPN-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H](O)C2)cc1 ZINC001083851216 1257608414 /nfs/dbraw/zinc/60/84/14/1257608414.db2.gz SNOSAXBKZFSFPN-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896031 1257671360 /nfs/dbraw/zinc/67/13/60/1257671360.db2.gz RVWUQMLQGZQLFU-MSOLQXFVSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896031 1257671368 /nfs/dbraw/zinc/67/13/68/1257671368.db2.gz RVWUQMLQGZQLFU-MSOLQXFVSA-N 2 1 371.441 0.469 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953289 1257742621 /nfs/dbraw/zinc/74/26/21/1257742621.db2.gz NIWDXVBAVARNFA-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953289 1257742625 /nfs/dbraw/zinc/74/26/25/1257742625.db2.gz NIWDXVBAVARNFA-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953289 1257742630 /nfs/dbraw/zinc/74/26/30/1257742630.db2.gz NIWDXVBAVARNFA-SUMDDJOVSA-N 2 1 360.502 0.756 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053893 1257864298 /nfs/dbraw/zinc/86/42/98/1257864298.db2.gz OREBACFFXITPFH-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053893 1257864306 /nfs/dbraw/zinc/86/43/06/1257864306.db2.gz OREBACFFXITPFH-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053893 1257864311 /nfs/dbraw/zinc/86/43/11/1257864311.db2.gz OREBACFFXITPFH-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053893 1257864320 /nfs/dbraw/zinc/86/43/20/1257864320.db2.gz OREBACFFXITPFH-OLMNPRSZSA-N 2 1 363.458 0.187 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088289 1257913269 /nfs/dbraw/zinc/91/32/69/1257913269.db2.gz ZUASXZCSNDZDPI-QRQLOZEOSA-N 2 1 361.486 0.950 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231873 1257979754 /nfs/dbraw/zinc/97/97/54/1257979754.db2.gz NJJYYVKTLWWFKL-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231873 1257979761 /nfs/dbraw/zinc/97/97/61/1257979761.db2.gz NJJYYVKTLWWFKL-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231873 1257979766 /nfs/dbraw/zinc/97/97/66/1257979766.db2.gz NJJYYVKTLWWFKL-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231873 1257979770 /nfs/dbraw/zinc/97/97/70/1257979770.db2.gz NJJYYVKTLWWFKL-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc(C)[nH+]1 ZINC001331124760 1266152965 /nfs/dbraw/zinc/15/29/65/1266152965.db2.gz FTGSEZGSQFHDPK-IYBDPMFKSA-N 2 1 372.473 0.141 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001084347625 1258041358 /nfs/dbraw/zinc/04/13/58/1258041358.db2.gz YLSUOFTWSOENLQ-FGTMMUONSA-N 2 1 360.502 0.483 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCCC1 ZINC001084347625 1258041367 /nfs/dbraw/zinc/04/13/67/1258041367.db2.gz YLSUOFTWSOENLQ-FGTMMUONSA-N 2 1 360.502 0.483 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001084357309 1258046084 /nfs/dbraw/zinc/04/60/84/1258046084.db2.gz UCPPHRONRRLMBP-BZZMCLGOSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001084357309 1258046093 /nfs/dbraw/zinc/04/60/93/1258046093.db2.gz UCPPHRONRRLMBP-BZZMCLGOSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001084357309 1258046098 /nfs/dbraw/zinc/04/60/98/1258046098.db2.gz UCPPHRONRRLMBP-BZZMCLGOSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001084357309 1258046107 /nfs/dbraw/zinc/04/61/07/1258046107.db2.gz UCPPHRONRRLMBP-BZZMCLGOSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001084407013 1258086574 /nfs/dbraw/zinc/08/65/74/1258086574.db2.gz DXCHZDKVEBNCRG-LMMKCTJWSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001521663517 1266160059 /nfs/dbraw/zinc/16/00/59/1266160059.db2.gz IEXRSHWBHVDFFM-KYJSFNMBSA-N 2 1 350.507 0.951 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC001521666286 1266160334 /nfs/dbraw/zinc/16/03/34/1266160334.db2.gz JDQCYUWOMZRODR-UHFFFAOYSA-N 2 1 350.463 0.154 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001084738882 1258280910 /nfs/dbraw/zinc/28/09/10/1258280910.db2.gz GYXQASZKBGASQB-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001084738882 1258280912 /nfs/dbraw/zinc/28/09/12/1258280912.db2.gz GYXQASZKBGASQB-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084767049 1258303392 /nfs/dbraw/zinc/30/33/92/1258303392.db2.gz DDGXWXHLNCHGKB-FGTMMUONSA-N 2 1 362.518 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084767049 1258303401 /nfs/dbraw/zinc/30/34/01/1258303401.db2.gz DDGXWXHLNCHGKB-FGTMMUONSA-N 2 1 362.518 0.905 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778240 1258321108 /nfs/dbraw/zinc/32/11/08/1258321108.db2.gz MVQLCFPSDWRWBF-GVDBMIGSSA-N 2 1 360.502 0.531 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830135 1258374965 /nfs/dbraw/zinc/37/49/65/1258374965.db2.gz MAFWNPCUSNKAFY-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830135 1258374973 /nfs/dbraw/zinc/37/49/73/1258374973.db2.gz MAFWNPCUSNKAFY-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830135 1258374983 /nfs/dbraw/zinc/37/49/83/1258374983.db2.gz MAFWNPCUSNKAFY-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001084830135 1258374990 /nfs/dbraw/zinc/37/49/90/1258374990.db2.gz MAFWNPCUSNKAFY-FGTMMUONSA-N 2 1 356.470 0.770 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844027 1258393232 /nfs/dbraw/zinc/39/32/32/1258393232.db2.gz CXIFONJNNALPRB-KZNAEPCWSA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844027 1258393237 /nfs/dbraw/zinc/39/32/37/1258393237.db2.gz CXIFONJNNALPRB-KZNAEPCWSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844027 1258393247 /nfs/dbraw/zinc/39/32/47/1258393247.db2.gz CXIFONJNNALPRB-KZNAEPCWSA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001084844027 1258393256 /nfs/dbraw/zinc/39/32/56/1258393256.db2.gz CXIFONJNNALPRB-KZNAEPCWSA-N 2 1 361.490 0.216 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21)N1CCC1 ZINC001084941566 1258454886 /nfs/dbraw/zinc/45/48/86/1258454886.db2.gz PWXBRMCZMHDOEJ-KURKYZTESA-N 2 1 360.502 0.483 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001084990296 1258501641 /nfs/dbraw/zinc/50/16/41/1258501641.db2.gz NVILGANAWXNCHX-ZACQAIPSSA-N 2 1 369.473 0.893 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001084990296 1258501646 /nfs/dbraw/zinc/50/16/46/1258501646.db2.gz NVILGANAWXNCHX-ZACQAIPSSA-N 2 1 369.473 0.893 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032736 1258535042 /nfs/dbraw/zinc/53/50/42/1258535042.db2.gz XEMIOONMPWZOPP-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032736 1258535047 /nfs/dbraw/zinc/53/50/47/1258535047.db2.gz XEMIOONMPWZOPP-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085032736 1258535050 /nfs/dbraw/zinc/53/50/50/1258535050.db2.gz XEMIOONMPWZOPP-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001085074922 1258570780 /nfs/dbraw/zinc/57/07/80/1258570780.db2.gz ISORTCMGAUBAPR-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21)C1CC1 ZINC001085074922 1258570787 /nfs/dbraw/zinc/57/07/87/1258570787.db2.gz ISORTCMGAUBAPR-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21)C1CC1 ZINC001085074922 1258570794 /nfs/dbraw/zinc/57/07/94/1258570794.db2.gz ISORTCMGAUBAPR-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085196720 1258626388 /nfs/dbraw/zinc/62/63/88/1258626388.db2.gz KZRLZXUNELRRAG-KFWWJZLASA-N 2 1 364.494 0.498 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166218 1258681994 /nfs/dbraw/zinc/68/19/94/1258681994.db2.gz PPDLVKAWIFEPMF-QGTPRVQTSA-N 2 1 362.518 0.763 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172905 1258692030 /nfs/dbraw/zinc/69/20/30/1258692030.db2.gz JRNATSNATJRESD-KFWWJZLASA-N 2 1 359.474 0.676 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088202304 1258723552 /nfs/dbraw/zinc/72/35/52/1258723552.db2.gz UJQPQBQXPDPTBW-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088202304 1258723553 /nfs/dbraw/zinc/72/35/53/1258723553.db2.gz UJQPQBQXPDPTBW-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207904 1258730602 /nfs/dbraw/zinc/73/06/02/1258730602.db2.gz BPOSHOOWPFTWCR-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207904 1258730615 /nfs/dbraw/zinc/73/06/15/1258730615.db2.gz BPOSHOOWPFTWCR-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207904 1258730622 /nfs/dbraw/zinc/73/06/22/1258730622.db2.gz BPOSHOOWPFTWCR-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)C1 ZINC001088207904 1258730639 /nfs/dbraw/zinc/73/06/39/1258730639.db2.gz BPOSHOOWPFTWCR-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212307 1258734691 /nfs/dbraw/zinc/73/46/91/1258734691.db2.gz BCACKXCZGNIHHS-WBVHZDCISA-N 2 1 358.486 0.888 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212876 1258737678 /nfs/dbraw/zinc/73/76/78/1258737678.db2.gz YIVRPUCUMJHCBY-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212876 1258737681 /nfs/dbraw/zinc/73/76/81/1258737681.db2.gz YIVRPUCUMJHCBY-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212876 1258737684 /nfs/dbraw/zinc/73/76/84/1258737684.db2.gz YIVRPUCUMJHCBY-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP COCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944370 1258768017 /nfs/dbraw/zinc/76/80/17/1258768017.db2.gz CIFAUSYCKLEPAF-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944370 1258768019 /nfs/dbraw/zinc/76/80/19/1258768019.db2.gz CIFAUSYCKLEPAF-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944370 1258768024 /nfs/dbraw/zinc/76/80/24/1258768024.db2.gz CIFAUSYCKLEPAF-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944370 1258768027 /nfs/dbraw/zinc/76/80/27/1258768027.db2.gz CIFAUSYCKLEPAF-BRWVUGGUSA-N 2 1 369.506 0.339 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670887 1258811713 /nfs/dbraw/zinc/81/17/13/1258811713.db2.gz BNRIPOVFYKYGFP-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670887 1258811721 /nfs/dbraw/zinc/81/17/21/1258811721.db2.gz BNRIPOVFYKYGFP-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670887 1258811727 /nfs/dbraw/zinc/81/17/27/1258811727.db2.gz BNRIPOVFYKYGFP-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092670887 1258811733 /nfs/dbraw/zinc/81/17/33/1258811733.db2.gz BNRIPOVFYKYGFP-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092781999 1258844313 /nfs/dbraw/zinc/84/43/13/1258844313.db2.gz AHJQDIJIXXISDW-GDBMZVCRSA-N 2 1 353.430 0.924 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001100345027 1258908978 /nfs/dbraw/zinc/90/89/78/1258908978.db2.gz MYYPMRFKKQCODA-PFSRBDOWSA-N 2 1 363.462 0.828 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C)C(N)=O ZINC001106668897 1258938052 /nfs/dbraw/zinc/93/80/52/1258938052.db2.gz RRELYRBJGORLFH-MGPQQGTHSA-N 2 1 363.462 0.442 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672250 1258938349 /nfs/dbraw/zinc/93/83/49/1258938349.db2.gz MTQCJELXCTURIE-SJLPKXTDSA-N 2 1 360.502 0.591 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001106765625 1258957045 /nfs/dbraw/zinc/95/70/45/1258957045.db2.gz MKUUKHLKCUFMTP-DJIMGWMZSA-N 2 1 361.490 0.934 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804340 1258966863 /nfs/dbraw/zinc/96/68/63/1258966863.db2.gz NCRBCLLZAQDYFQ-ZIAGYGMSSA-N 2 1 356.430 0.311 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874407 1258985102 /nfs/dbraw/zinc/98/51/02/1258985102.db2.gz GRWAGSYJKCWKAF-KBAYOESNSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106881365 1258987660 /nfs/dbraw/zinc/98/76/60/1258987660.db2.gz CQNXSIAHSJBBDH-BPQIPLTHSA-N 2 1 364.534 0.929 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009695 1259016742 /nfs/dbraw/zinc/01/67/42/1259016742.db2.gz WMBFBDMJYUTLQL-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009695 1259016752 /nfs/dbraw/zinc/01/67/52/1259016752.db2.gz WMBFBDMJYUTLQL-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC1CC1)CC2 ZINC001107329557 1259054640 /nfs/dbraw/zinc/05/46/40/1259054640.db2.gz ZHTMEXSIIPLXPA-SQGPQFPESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2 ZINC001107329557 1259054646 /nfs/dbraw/zinc/05/46/46/1259054646.db2.gz ZHTMEXSIIPLXPA-SQGPQFPESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC1CC1)CC2 ZINC001107329557 1259054656 /nfs/dbraw/zinc/05/46/56/1259054656.db2.gz ZHTMEXSIIPLXPA-SQGPQFPESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2)C1CC1 ZINC001107439357 1259090627 /nfs/dbraw/zinc/09/06/27/1259090627.db2.gz XJBNJZBKVXHDMM-IMFGXOCKSA-N 2 1 362.518 0.966 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448692 1259092506 /nfs/dbraw/zinc/09/25/06/1259092506.db2.gz OCSLBFMIDRYYEM-YKTARERQSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448692 1259092511 /nfs/dbraw/zinc/09/25/11/1259092511.db2.gz OCSLBFMIDRYYEM-YKTARERQSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448692 1259092518 /nfs/dbraw/zinc/09/25/18/1259092518.db2.gz OCSLBFMIDRYYEM-YKTARERQSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448692 1259092523 /nfs/dbraw/zinc/09/25/23/1259092523.db2.gz OCSLBFMIDRYYEM-YKTARERQSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107473200 1259098417 /nfs/dbraw/zinc/09/84/17/1259098417.db2.gz HPYDNGMEANFWSW-SJLPKXTDSA-N 2 1 357.462 0.844 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107473200 1259098425 /nfs/dbraw/zinc/09/84/25/1259098425.db2.gz HPYDNGMEANFWSW-SJLPKXTDSA-N 2 1 357.462 0.844 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609578 1259133597 /nfs/dbraw/zinc/13/35/97/1259133597.db2.gz XSNHISIUWDTIGM-SJLPKXTDSA-N 2 1 364.494 0.254 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632179 1259140755 /nfs/dbraw/zinc/14/07/55/1259140755.db2.gz URHNAXYOFBFBAR-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632179 1259140758 /nfs/dbraw/zinc/14/07/58/1259140758.db2.gz URHNAXYOFBFBAR-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC2CC2)CC3)C1 ZINC001107632179 1259140762 /nfs/dbraw/zinc/14/07/62/1259140762.db2.gz URHNAXYOFBFBAR-SQGPQFPESA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC001127643705 1259183352 /nfs/dbraw/zinc/18/33/52/1259183352.db2.gz HMUXDHIISKLWAW-RHSMWYFYSA-N 2 1 364.465 0.830 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)CC[N@H+]1C ZINC001127701465 1259184107 /nfs/dbraw/zinc/18/41/07/1259184107.db2.gz POYHBESFFISQTC-BBWFWOEESA-N 2 1 366.506 0.060 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001331604043 1266247707 /nfs/dbraw/zinc/24/77/07/1266247707.db2.gz MKSCYNGYYDQSTL-BZSNNMDCSA-N 2 1 374.485 0.247 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060087 1259300023 /nfs/dbraw/zinc/30/00/23/1259300023.db2.gz JCHGEHZHGHYYEI-IKGGRYGDSA-N 2 1 366.510 0.631 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060087 1259300027 /nfs/dbraw/zinc/30/00/27/1259300027.db2.gz JCHGEHZHGHYYEI-IKGGRYGDSA-N 2 1 366.510 0.631 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084037 1259306355 /nfs/dbraw/zinc/30/63/55/1259306355.db2.gz AKLUZAJXAZIWPC-XHSDSOJGSA-N 2 1 366.510 0.511 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084037 1259306361 /nfs/dbraw/zinc/30/63/61/1259306361.db2.gz AKLUZAJXAZIWPC-XHSDSOJGSA-N 2 1 366.510 0.511 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084037 1259306369 /nfs/dbraw/zinc/30/63/69/1259306369.db2.gz AKLUZAJXAZIWPC-XHSDSOJGSA-N 2 1 366.510 0.511 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129089693 1259311364 /nfs/dbraw/zinc/31/13/64/1259311364.db2.gz PSJLASJTXOITHQ-CVEARBPZSA-N 2 1 366.510 0.775 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129089693 1259311372 /nfs/dbraw/zinc/31/13/72/1259311372.db2.gz PSJLASJTXOITHQ-CVEARBPZSA-N 2 1 366.510 0.775 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129089693 1259311381 /nfs/dbraw/zinc/31/13/81/1259311381.db2.gz PSJLASJTXOITHQ-CVEARBPZSA-N 2 1 366.510 0.775 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205272 1259344720 /nfs/dbraw/zinc/34/47/20/1259344720.db2.gz RHRQIHFVNJUZSK-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276389 1259364125 /nfs/dbraw/zinc/36/41/25/1259364125.db2.gz HSBPGDGNVCTPRI-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276389 1259364129 /nfs/dbraw/zinc/36/41/29/1259364129.db2.gz HSBPGDGNVCTPRI-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276389 1259364130 /nfs/dbraw/zinc/36/41/30/1259364130.db2.gz HSBPGDGNVCTPRI-CVEARBPZSA-N 2 1 366.510 0.634 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCOC)C2)CC[N@H+]1C ZINC001200554720 1259416578 /nfs/dbraw/zinc/41/65/78/1259416578.db2.gz LUEHKEIJEVCBSQ-OKZBNKHCSA-N 2 1 371.522 0.587 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOC3CCC3)C2)O1 ZINC001200786268 1259420149 /nfs/dbraw/zinc/42/01/49/1259420149.db2.gz FDYOWPMPNVCKOI-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOC3CCC3)C2)O1 ZINC001200786268 1259420155 /nfs/dbraw/zinc/42/01/55/1259420155.db2.gz FDYOWPMPNVCKOI-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001212405832 1259492259 /nfs/dbraw/zinc/49/22/59/1259492259.db2.gz FJXRJWKSZQMNJD-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001212405832 1259492263 /nfs/dbraw/zinc/49/22/63/1259492263.db2.gz FJXRJWKSZQMNJD-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001212405832 1259492268 /nfs/dbraw/zinc/49/22/68/1259492268.db2.gz FJXRJWKSZQMNJD-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001212405832 1259492272 /nfs/dbraw/zinc/49/22/72/1259492272.db2.gz FJXRJWKSZQMNJD-FGTMMUONSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430862 1259502965 /nfs/dbraw/zinc/50/29/65/1259502965.db2.gz ZKPZOUCKKAXZCA-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430862 1259502970 /nfs/dbraw/zinc/50/29/70/1259502970.db2.gz ZKPZOUCKKAXZCA-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430862 1259502972 /nfs/dbraw/zinc/50/29/72/1259502972.db2.gz ZKPZOUCKKAXZCA-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430862 1259502976 /nfs/dbraw/zinc/50/29/76/1259502976.db2.gz ZKPZOUCKKAXZCA-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436731 1259506158 /nfs/dbraw/zinc/50/61/58/1259506158.db2.gz HGNCDQNGJXPLFU-ZACQAIPSSA-N 2 1 366.510 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436731 1259506163 /nfs/dbraw/zinc/50/61/63/1259506163.db2.gz HGNCDQNGJXPLFU-ZACQAIPSSA-N 2 1 366.510 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458615 1259513842 /nfs/dbraw/zinc/51/38/42/1259513842.db2.gz LLCZFVJRDKAESB-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544218 1259535451 /nfs/dbraw/zinc/53/54/51/1259535451.db2.gz KZHKWZFZUUXAFP-UKPHBRMFSA-N 2 1 361.490 0.717 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](Cc1n[nH]c3cc(N)ccc31)C2 ZINC001235335875 1259570964 /nfs/dbraw/zinc/57/09/64/1259570964.db2.gz SMELURRGQWHUID-CEMCJKAASA-N 2 1 355.442 0.976 20 0 FCADMP [NH3+]CCCC[N@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC001235547445 1259577563 /nfs/dbraw/zinc/57/75/63/1259577563.db2.gz AZPHELGQEQMKPT-YJBOKZPZSA-N 2 1 363.462 0.195 20 0 FCADMP [NH3+]CCCC[N@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001235547442 1259579420 /nfs/dbraw/zinc/57/94/20/1259579420.db2.gz AZPHELGQEQMKPT-QAPCUYQASA-N 2 1 363.462 0.195 20 0 FCADMP CC[NH+](CC)CCCN1CC[NH+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CC1 ZINC001235868102 1259582410 /nfs/dbraw/zinc/58/24/10/1259582410.db2.gz SZNBSHYNRHUUCP-MHORFTMASA-N 2 1 371.522 0.573 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3cnc(O[C@@H]4CCC[NH2+]C4)nc3)cn2)CC1 ZINC001235917544 1259584977 /nfs/dbraw/zinc/58/49/77/1259584977.db2.gz LDPHBONUQPOGEB-MRXNPFEDSA-N 2 1 355.446 0.816 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cnc(OC)nc3OC)C[C@H]1C2 ZINC001236026023 1259586167 /nfs/dbraw/zinc/58/61/67/1259586167.db2.gz HYNKGADDFFRDHA-KEIZMWOVSA-N 2 1 362.430 0.324 20 0 FCADMP CCOC(=O)c1n[nH]cc1C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236026935 1259586663 /nfs/dbraw/zinc/58/66/63/1259586663.db2.gz LSGFAOAEZPNKKR-KEIZMWOVSA-N 2 1 362.430 0.417 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3n[nH]c4cc(N)ccc43)C[C@H]1C2 ZINC001236036083 1259587554 /nfs/dbraw/zinc/58/75/54/1259587554.db2.gz RTZSTYLBTJBUAM-CEMCJKAASA-N 2 1 355.442 0.976 20 0 FCADMP Cc1[nH+]ccn1-c1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310590 1259588387 /nfs/dbraw/zinc/58/83/87/1259588387.db2.gz IBCFEYISHUBMHT-UHFFFAOYSA-N 3 1 358.490 0.797 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001335290808 1259590070 /nfs/dbraw/zinc/59/00/70/1259590070.db2.gz XJGMUFANNFFHIX-UHFFFAOYSA-N 2 1 350.507 0.827 20 0 FCADMP [NH3+]CCNC(=O)c1cccc(C[NH+]2CCC(N3CCC([NH3+])CC3)CC2)c1 ZINC001236583333 1259591382 /nfs/dbraw/zinc/59/13/82/1259591382.db2.gz MZSNLAWLCIYXJC-UHFFFAOYSA-N 3 1 359.518 0.763 20 0 FCADMP O[C@@H](CNC1(Cc2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008373 1259643135 /nfs/dbraw/zinc/64/31/35/1259643135.db2.gz OZCLQMOGZDWXOI-GOSISDBHSA-N 2 1 365.493 0.946 20 0 FCADMP C[C@](O)(C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCc1ccccc1 ZINC001245986058 1259644310 /nfs/dbraw/zinc/64/43/10/1259644310.db2.gz NZHZMCYOUOIHIR-MJGOQNOKSA-N 2 1 361.486 0.945 20 0 FCADMP O[C@]1(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981016 1259644471 /nfs/dbraw/zinc/64/44/71/1259644471.db2.gz PKFZBNLENLLTBG-TZIWHRDSSA-N 3 1 358.530 0.802 20 0 FCADMP O[C@]1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981016 1259644482 /nfs/dbraw/zinc/64/44/82/1259644482.db2.gz PKFZBNLENLLTBG-TZIWHRDSSA-N 4 1 358.530 0.802 20 0 FCADMP O[C@]1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981016 1259644494 /nfs/dbraw/zinc/64/44/94/1259644494.db2.gz PKFZBNLENLLTBG-TZIWHRDSSA-N 4 1 358.530 0.802 20 0 FCADMP O=C1C[C@@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001246153235 1259648339 /nfs/dbraw/zinc/64/83/39/1259648339.db2.gz RIHFNZKMCOKGJR-OQVRHKMJSA-N 2 1 356.470 0.586 20 0 FCADMP O=C1C[C@@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001246153235 1259648348 /nfs/dbraw/zinc/64/83/48/1259648348.db2.gz RIHFNZKMCOKGJR-OQVRHKMJSA-N 2 1 356.470 0.586 20 0 FCADMP O=C(CN1CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1)OCc1ccccc1 ZINC001246631677 1259657411 /nfs/dbraw/zinc/65/74/11/1259657411.db2.gz SMGPDKXEOWEEJO-NRFANRHFSA-N 2 1 372.513 0.832 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246622133 1259657630 /nfs/dbraw/zinc/65/76/30/1259657630.db2.gz GSOMTSSLBJRKLV-SFHVURJKSA-N 2 1 367.490 0.679 20 0 FCADMP COc1ccc(CN2CC[C@H]([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246580736 1259657704 /nfs/dbraw/zinc/65/77/04/1259657704.db2.gz OGWVKUMTICDRSA-YQQAZPJKSA-N 2 1 363.458 0.446 20 0 FCADMP O=C1[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001246704529 1259664736 /nfs/dbraw/zinc/66/47/36/1259664736.db2.gz HMXHVMGDMDEYNC-BPQIPLTHSA-N 2 1 358.461 0.810 20 0 FCADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246705050 1259664793 /nfs/dbraw/zinc/66/47/93/1259664793.db2.gz VRMXGKXZOBJAQX-JKSUJKDBSA-N 3 1 360.506 0.232 20 0 FCADMP O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@@H]2O1 ZINC001246703896 1259664889 /nfs/dbraw/zinc/66/48/89/1259664889.db2.gz JIVUNZHIJNVVKA-IPELMVKDSA-N 2 1 358.486 0.972 20 0 FCADMP O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@@H]2O1 ZINC001246703896 1259664897 /nfs/dbraw/zinc/66/48/97/1259664897.db2.gz JIVUNZHIJNVVKA-IPELMVKDSA-N 2 1 358.486 0.972 20 0 FCADMP C[C@@H]1CCCN1C(=O)c1nn([C@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]CC2 ZINC001246729859 1259671520 /nfs/dbraw/zinc/67/15/20/1259671520.db2.gz PWTLUTDLGKNUBY-KGLIPLIRSA-N 2 1 358.490 0.420 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)C[NH2+]1 ZINC001246731916 1259673171 /nfs/dbraw/zinc/67/31/71/1259673171.db2.gz DWIJHXLTSAHRMX-SJORKVTESA-N 2 1 361.490 0.754 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C[NH2+]1 ZINC001246731916 1259673181 /nfs/dbraw/zinc/67/31/81/1259673181.db2.gz DWIJHXLTSAHRMX-SJORKVTESA-N 2 1 361.490 0.754 20 0 FCADMP O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737813 1259673473 /nfs/dbraw/zinc/67/34/73/1259673473.db2.gz KATDAMZNBXTZLE-APWZRJJASA-N 2 1 370.501 0.499 20 0 FCADMP O=C(NCc1ccco1)[C@@H]1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736483 1259673733 /nfs/dbraw/zinc/67/37/33/1259673733.db2.gz ZLWAQPLKZHDANE-JOCBIADPSA-N 2 1 374.485 0.184 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743854 1259676713 /nfs/dbraw/zinc/67/67/13/1259676713.db2.gz BNGWSUQNVHYMKM-IEBWSBKVSA-N 2 1 355.486 0.600 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743855 1259676760 /nfs/dbraw/zinc/67/67/60/1259676760.db2.gz BNGWSUQNVHYMKM-MJGOQNOKSA-N 2 1 355.486 0.600 20 0 FCADMP O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753727 1259679400 /nfs/dbraw/zinc/67/94/00/1259679400.db2.gz CNRYYCJDKWCYOT-AZUAARDMSA-N 2 1 369.513 0.990 20 0 FCADMP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246759396 1259681644 /nfs/dbraw/zinc/68/16/44/1259681644.db2.gz KOAPUOOTYQAWSM-XWSJACJDSA-N 2 1 372.517 0.288 20 0 FCADMP c1cnc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756226 1259682756 /nfs/dbraw/zinc/68/27/56/1259682756.db2.gz MUQJVBUYKIKVMP-QFBILLFUSA-N 2 1 358.490 0.242 20 0 FCADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762621 1259683636 /nfs/dbraw/zinc/68/36/36/1259683636.db2.gz WQEMRSRBNAESPC-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762621 1259683645 /nfs/dbraw/zinc/68/36/45/1259683645.db2.gz WQEMRSRBNAESPC-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766300 1259686099 /nfs/dbraw/zinc/68/60/99/1259686099.db2.gz MONOWEGBNPQOPS-MWDXBVQZSA-N 2 1 359.474 0.429 20 0 FCADMP C(c1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCCCC1 ZINC001246770324 1259686270 /nfs/dbraw/zinc/68/62/70/1259686270.db2.gz YHGIWTHPKSZEJG-INIZCTEOSA-N 2 1 359.522 0.216 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335505561 1259689865 /nfs/dbraw/zinc/68/98/65/1259689865.db2.gz KGYDYHZSFPERSY-ZBFHGGJFSA-N 2 1 354.470 0.431 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335505561 1259689873 /nfs/dbraw/zinc/68/98/73/1259689873.db2.gz KGYDYHZSFPERSY-ZBFHGGJFSA-N 2 1 354.470 0.431 20 0 FCADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCNCC[NH2+]CCNCC2)cc1 ZINC001246824959 1259691427 /nfs/dbraw/zinc/69/14/27/1259691427.db2.gz ZXVKYHYDSKLGCU-KRWDZBQOSA-N 2 1 362.518 0.879 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246861905 1259693708 /nfs/dbraw/zinc/69/37/08/1259693708.db2.gz RGZVLVWKLSZUBY-MZBDJJRSSA-N 2 1 368.474 0.947 20 0 FCADMP CCOC(=O)C1(C(=O)OCC)CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246861905 1259693716 /nfs/dbraw/zinc/69/37/16/1259693716.db2.gz RGZVLVWKLSZUBY-MZBDJJRSSA-N 2 1 368.474 0.947 20 0 FCADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC2 ZINC001246924277 1259695722 /nfs/dbraw/zinc/69/57/22/1259695722.db2.gz HEVPQICNDLMKAL-WUJZJPHMSA-N 3 1 368.522 0.614 20 0 FCADMP CCOC(=O)[C@@H]1CC12CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC2 ZINC001246924277 1259695726 /nfs/dbraw/zinc/69/57/26/1259695726.db2.gz HEVPQICNDLMKAL-WUJZJPHMSA-N 2 1 368.522 0.614 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNS(=O)(=O)CCC[NH+](C)C)c2)CC1 ZINC001335530774 1259701250 /nfs/dbraw/zinc/70/12/50/1259701250.db2.gz PHRYFMPEMPHRMD-UHFFFAOYSA-N 2 1 368.547 0.805 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@@]45C[NH2+]C[C@@H]4CCN5)n3)c2)CC1 ZINC001247834522 1259706030 /nfs/dbraw/zinc/70/60/30/1259706030.db2.gz HUWXNOMJWYOARQ-FXAWDEMLSA-N 2 1 368.485 0.892 20 0 FCADMP CN1CCN(c2ccc(-c3noc(C45C[NH2+]CC4C[NH2+]C5)n3)cc2)CC1 ZINC001247852407 1259706469 /nfs/dbraw/zinc/70/64/69/1259706469.db2.gz SHPNNSCSRXQZAJ-UHFFFAOYSA-N 2 1 354.458 0.549 20 0 FCADMP c1cc(-c2noc([C@@H]3COC4(C[NH2+]C4)CN3)n2)ccc1C[NH+]1CCOCC1 ZINC001247854567 1259707646 /nfs/dbraw/zinc/70/76/46/1259707646.db2.gz MMQJDLAKQLFEAJ-INIZCTEOSA-N 2 1 371.441 0.572 20 0 FCADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@@H](O)CN3CCOCC3)c2)CC1 ZINC001251035869 1259734685 /nfs/dbraw/zinc/73/46/85/1259734685.db2.gz PZCAEPWKMKWFQV-HXUWFJFHSA-N 2 1 362.518 0.217 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)CN1CCOCC1 ZINC001251048011 1259735881 /nfs/dbraw/zinc/73/58/81/1259735881.db2.gz AFBXRTDXVBJQSL-XUVXKRRUSA-N 2 1 363.502 0.559 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)CN1CCOCC1 ZINC001251048011 1259735888 /nfs/dbraw/zinc/73/58/88/1259735888.db2.gz AFBXRTDXVBJQSL-XUVXKRRUSA-N 2 1 363.502 0.559 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001335608333 1259741247 /nfs/dbraw/zinc/74/12/47/1259741247.db2.gz ZLRBWKTUGCORLK-SJORKVTESA-N 2 1 359.474 0.896 20 0 FCADMP COCCN1C[C@@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925885 1259813976 /nfs/dbraw/zinc/81/39/76/1259813976.db2.gz AMKVNNCRGNTKFE-IRFCIJBXSA-N 2 1 373.497 0.660 20 0 FCADMP COCCN1C[C@@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925885 1259813983 /nfs/dbraw/zinc/81/39/83/1259813983.db2.gz AMKVNNCRGNTKFE-IRFCIJBXSA-N 2 1 373.497 0.660 20 0 FCADMP COCCN1C[C@@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925885 1259813991 /nfs/dbraw/zinc/81/39/91/1259813991.db2.gz AMKVNNCRGNTKFE-IRFCIJBXSA-N 2 1 373.497 0.660 20 0 FCADMP COCCN1C[C@@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1=O ZINC001252925885 1259813998 /nfs/dbraw/zinc/81/39/98/1259813998.db2.gz AMKVNNCRGNTKFE-IRFCIJBXSA-N 2 1 373.497 0.660 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](CC2(O)CCOCC2)CC3)CC1 ZINC001252961064 1259816367 /nfs/dbraw/zinc/81/63/67/1259816367.db2.gz VIZGWBVQLNUOSQ-UHFFFAOYSA-N 2 1 361.490 0.171 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](CC2(O)CCOCC2)CC3)CC1 ZINC001252961064 1259816376 /nfs/dbraw/zinc/81/63/76/1259816376.db2.gz VIZGWBVQLNUOSQ-UHFFFAOYSA-N 2 1 361.490 0.171 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001253185309 1259826997 /nfs/dbraw/zinc/82/69/97/1259826997.db2.gz QFJHFWOQEOJHEW-YRXWBPOGSA-N 2 1 367.534 0.896 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001253185752 1259829400 /nfs/dbraw/zinc/82/94/00/1259829400.db2.gz TUFDMPQMAAGJKV-ZHALLVOQSA-N 2 1 370.538 0.974 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001253185752 1259829404 /nfs/dbraw/zinc/82/94/04/1259829404.db2.gz TUFDMPQMAAGJKV-ZHALLVOQSA-N 2 1 370.538 0.974 20 0 FCADMP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335791165 1259840895 /nfs/dbraw/zinc/84/08/95/1259840895.db2.gz SGFUYHUVUNSKPG-UKRRQHHQSA-N 2 1 362.478 0.173 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001253864344 1259859890 /nfs/dbraw/zinc/85/98/90/1259859890.db2.gz TWWJLYHVKXURGE-MOPGFXCFSA-N 2 1 365.566 0.498 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001253864351 1259860384 /nfs/dbraw/zinc/86/03/84/1259860384.db2.gz TWWJLYHVKXURGE-OALUTQOASA-N 2 1 365.566 0.498 20 0 FCADMP COC(=O)[C@H](CCCC[NH2+][C@H]1CCC[N@@H+](C)CC1)NC(=O)CNC(C)=O ZINC001254513863 1259887737 /nfs/dbraw/zinc/88/77/37/1259887737.db2.gz GPZRYKHWMBHGCE-HOTGVXAUSA-N 2 1 370.494 0.025 20 0 FCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@H](O)OC(C)(C)C)[C@H]2CC[N@@H+](C)C2)C1 ZINC001255424652 1259911891 /nfs/dbraw/zinc/91/18/91/1259911891.db2.gz ZKRVZRFIJXOUTL-UGDFAFBOSA-N 3 1 372.554 0.460 20 0 FCADMP CC(=O)N(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001336459449 1260134979 /nfs/dbraw/zinc/13/49/79/1260134979.db2.gz XIODSDPUFFWABV-UHFFFAOYSA-N 2 1 372.469 0.764 20 0 FCADMP CC(=O)N(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001336459449 1260134981 /nfs/dbraw/zinc/13/49/81/1260134981.db2.gz XIODSDPUFFWABV-UHFFFAOYSA-N 2 1 372.469 0.764 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC001336801848 1260225638 /nfs/dbraw/zinc/22/56/38/1260225638.db2.gz ZUVLDEFNBWQUCW-KZNAEPCWSA-N 2 1 369.531 0.787 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC001336801848 1260225640 /nfs/dbraw/zinc/22/56/40/1260225640.db2.gz ZUVLDEFNBWQUCW-KZNAEPCWSA-N 2 1 369.531 0.787 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC001336943569 1260262474 /nfs/dbraw/zinc/26/24/74/1260262474.db2.gz YCYKIWVTFXPBML-DLBZAZTESA-N 2 1 355.527 0.158 20 0 FCADMP COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC001337049015 1260296267 /nfs/dbraw/zinc/29/62/67/1260296267.db2.gz VRSZOSZKZPKGRC-CQSZACIVSA-N 2 1 364.446 0.394 20 0 FCADMP COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)ccc1OCC[NH+](C)C ZINC001337049015 1260296274 /nfs/dbraw/zinc/29/62/74/1260296274.db2.gz VRSZOSZKZPKGRC-CQSZACIVSA-N 2 1 364.446 0.394 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC001337077874 1260303122 /nfs/dbraw/zinc/30/31/22/1260303122.db2.gz MICVNEYAEARSHJ-IAGOWNOFSA-N 2 1 350.507 0.289 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001262599449 1260330544 /nfs/dbraw/zinc/33/05/44/1260330544.db2.gz YOCMTKDBNRERLF-YXJHDRRASA-N 2 1 357.458 0.217 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653305 1260394447 /nfs/dbraw/zinc/39/44/47/1260394447.db2.gz RRBHOPUZTKNMBR-FGTMMUONSA-N 2 1 364.490 0.759 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653305 1260394453 /nfs/dbraw/zinc/39/44/53/1260394453.db2.gz RRBHOPUZTKNMBR-FGTMMUONSA-N 2 1 364.490 0.759 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@@H]2C1 ZINC001337805831 1260488941 /nfs/dbraw/zinc/48/89/41/1260488941.db2.gz OKDKZLCVNANEKF-HRCADAONSA-N 3 1 363.506 0.622 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@@H]2C1 ZINC001337805831 1260488951 /nfs/dbraw/zinc/48/89/51/1260488951.db2.gz OKDKZLCVNANEKF-HRCADAONSA-N 2 1 363.506 0.622 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217991 1260627058 /nfs/dbraw/zinc/62/70/58/1260627058.db2.gz PCFJFLKQXCHHOF-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217991 1260627067 /nfs/dbraw/zinc/62/70/67/1260627067.db2.gz PCFJFLKQXCHHOF-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217991 1260627075 /nfs/dbraw/zinc/62/70/75/1260627075.db2.gz PCFJFLKQXCHHOF-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217991 1260627083 /nfs/dbraw/zinc/62/70/83/1260627083.db2.gz PCFJFLKQXCHHOF-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249416 1260635668 /nfs/dbraw/zinc/63/56/68/1260635668.db2.gz VFGYFXKDMHISET-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249416 1260635677 /nfs/dbraw/zinc/63/56/77/1260635677.db2.gz VFGYFXKDMHISET-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249416 1260635687 /nfs/dbraw/zinc/63/56/87/1260635687.db2.gz VFGYFXKDMHISET-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2ccnc2)C1 ZINC001273254815 1260637765 /nfs/dbraw/zinc/63/77/65/1260637765.db2.gz MEQILOLHAAQCPB-KURKYZTESA-N 2 1 361.490 0.527 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC001278464022 1260695172 /nfs/dbraw/zinc/69/51/72/1260695172.db2.gz QEAGZPMIIFIJSA-IKGGRYGDSA-N 2 1 367.490 0.156 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC001278464021 1260695367 /nfs/dbraw/zinc/69/53/67/1260695367.db2.gz QEAGZPMIIFIJSA-GVDBMIGSSA-N 2 1 367.490 0.156 20 0 FCADMP O=C1CC[C@@H](C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472466 1260695633 /nfs/dbraw/zinc/69/56/33/1260695633.db2.gz NMLVXHUGTDMRJB-USXIJHARSA-N 2 1 360.502 0.720 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)c(OC)n1 ZINC001279157612 1260794784 /nfs/dbraw/zinc/79/47/84/1260794784.db2.gz COMIUEDEHIKGKS-GJZGRUSLSA-N 2 1 360.458 0.741 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)c(OC)n1 ZINC001279157612 1260794790 /nfs/dbraw/zinc/79/47/90/1260794790.db2.gz COMIUEDEHIKGKS-GJZGRUSLSA-N 2 1 360.458 0.741 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001279256855 1260813368 /nfs/dbraw/zinc/81/33/68/1260813368.db2.gz LIZFJZZOBUHZLW-OAGGEKHMSA-N 2 1 360.502 0.816 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001279256855 1260813373 /nfs/dbraw/zinc/81/33/73/1260813373.db2.gz LIZFJZZOBUHZLW-OAGGEKHMSA-N 2 1 360.502 0.816 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC001332271249 1266367728 /nfs/dbraw/zinc/36/77/28/1266367728.db2.gz SLNGYNRSWIXEEG-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279570095 1260894237 /nfs/dbraw/zinc/89/42/37/1260894237.db2.gz SCRJHPOGUZULBC-LJQANCHMSA-N 2 1 361.490 0.505 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001279618724 1260902235 /nfs/dbraw/zinc/90/22/35/1260902235.db2.gz ZLZUKANLZWSXTH-OKYOBFRVSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001279618724 1260902240 /nfs/dbraw/zinc/90/22/40/1260902240.db2.gz ZLZUKANLZWSXTH-OKYOBFRVSA-N 2 1 363.502 0.809 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)ccn1 ZINC001279906174 1260956906 /nfs/dbraw/zinc/95/69/06/1260956906.db2.gz VVIIXKPRRDXMEC-DLBZAZTESA-N 2 1 357.458 0.787 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)ccn1 ZINC001279906174 1260956910 /nfs/dbraw/zinc/95/69/10/1260956910.db2.gz VVIIXKPRRDXMEC-DLBZAZTESA-N 2 1 357.458 0.787 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025613 1260980516 /nfs/dbraw/zinc/98/05/16/1260980516.db2.gz GBBQPGZFXPCDBO-ABFRBSLYSA-N 2 1 367.490 0.485 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCOC(C)C)CC3)[C@@H]2C1 ZINC001280082369 1260993897 /nfs/dbraw/zinc/99/38/97/1260993897.db2.gz JXSGOKXVUAXDAA-IAGOWNOFSA-N 2 1 369.506 0.544 20 0 FCADMP C[C@@H]1Cc2nnc(C(=O)N3CC=CC3)n2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001280125129 1261010626 /nfs/dbraw/zinc/01/06/26/1261010626.db2.gz DNLCRQYZQCEULN-OAHLLOKOSA-N 2 1 358.490 0.879 20 0 FCADMP COCCN(C)C(=O)[C@@H]1CCn2nccc2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001280126627 1261011763 /nfs/dbraw/zinc/01/17/63/1261011763.db2.gz WWHWFWITFAPHMR-SFHVURJKSA-N 2 1 363.506 0.904 20 0 FCADMP COCCN(C)C(=O)[C@@H]1CCn2nccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001280126627 1261011765 /nfs/dbraw/zinc/01/17/65/1261011765.db2.gz WWHWFWITFAPHMR-SFHVURJKSA-N 2 1 363.506 0.904 20 0 FCADMP Cn1nnnc1NC(=O)[C@H]1CCC2(C[NH+](CCC3CC[NH+](C)CC3)C2)O1 ZINC001280139987 1261014369 /nfs/dbraw/zinc/01/43/69/1261014369.db2.gz GZTROMQDKLNUAP-CQSZACIVSA-N 2 1 363.466 0.114 20 0 FCADMP CCC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280145616 1261015407 /nfs/dbraw/zinc/01/54/07/1261015407.db2.gz GCCMPAPUPGNWAM-IRXDYDNUSA-N 2 1 359.474 0.375 20 0 FCADMP CCC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001280145616 1261015411 /nfs/dbraw/zinc/01/54/11/1261015411.db2.gz GCCMPAPUPGNWAM-IRXDYDNUSA-N 2 1 359.474 0.375 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@@H]2C1 ZINC001280188433 1261025402 /nfs/dbraw/zinc/02/54/02/1261025402.db2.gz GNSWSACRILRSCK-ARFHVFGLSA-N 2 1 361.490 0.296 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)O1 ZINC001280211577 1261034160 /nfs/dbraw/zinc/03/41/60/1261034160.db2.gz XEIDPQVIRXTDBW-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280215145 1261036358 /nfs/dbraw/zinc/03/63/58/1261036358.db2.gz KYIJLQAFZNFAQV-HZPDHXFCSA-N 2 1 359.474 0.163 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280215145 1261036362 /nfs/dbraw/zinc/03/63/62/1261036362.db2.gz KYIJLQAFZNFAQV-HZPDHXFCSA-N 2 1 359.474 0.163 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)[C@H]2C1 ZINC001280227943 1261040208 /nfs/dbraw/zinc/04/02/08/1261040208.db2.gz MDKYPMCXYZELAT-PMPSAXMXSA-N 2 1 357.454 0.969 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001281834703 1261219468 /nfs/dbraw/zinc/21/94/68/1261219468.db2.gz MNDNMUOVUYEGSU-HZPDHXFCSA-N 2 1 365.478 0.265 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001281834703 1261219470 /nfs/dbraw/zinc/21/94/70/1261219470.db2.gz MNDNMUOVUYEGSU-HZPDHXFCSA-N 2 1 365.478 0.265 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001281857447 1261238393 /nfs/dbraw/zinc/23/83/93/1261238393.db2.gz NLTXRYFAIDOPFQ-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001281857447 1261238396 /nfs/dbraw/zinc/23/83/96/1261238396.db2.gz NLTXRYFAIDOPFQ-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH2+][C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC001522171995 1266396554 /nfs/dbraw/zinc/39/65/54/1266396554.db2.gz MCGITWGFVIUISI-INIZCTEOSA-N 2 1 358.446 0.611 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001282298423 1261407140 /nfs/dbraw/zinc/40/71/40/1261407140.db2.gz WHFMVAPERHLYMD-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001332512488 1266420895 /nfs/dbraw/zinc/42/08/95/1266420895.db2.gz YGCPTHKTZQBHAP-INIZCTEOSA-N 2 1 363.510 0.849 20 0 FCADMP [NH3+]CCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001580301752 1278108601 /nfs/dbraw/zinc/10/86/01/1278108601.db2.gz GVNIOSFFLPWWGT-HNNXBMFYSA-N 2 1 359.478 0.781 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580322848 1278123133 /nfs/dbraw/zinc/12/31/33/1278123133.db2.gz WEMYAPIMQNUYIH-HZSPNIEDSA-N 2 1 370.461 0.142 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580322783 1278123765 /nfs/dbraw/zinc/12/37/65/1278123765.db2.gz TYWKSRKXSNFVGI-XOKHGSTOSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)C1 ZINC001289735952 1262328105 /nfs/dbraw/zinc/32/81/05/1262328105.db2.gz DWCZINZVRPVMIO-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)C1 ZINC001289735952 1262328113 /nfs/dbraw/zinc/32/81/13/1262328113.db2.gz DWCZINZVRPVMIO-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)C1 ZINC001289735952 1262328116 /nfs/dbraw/zinc/32/81/16/1262328116.db2.gz DWCZINZVRPVMIO-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001580353834 1278153767 /nfs/dbraw/zinc/15/37/67/1278153767.db2.gz ANXOWPXLGWERIV-TZMCWYRMSA-N 2 1 358.450 0.544 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(NC3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208987 1263136245 /nfs/dbraw/zinc/13/62/45/1263136245.db2.gz RVLGOHLULFGGAJ-MSOLQXFVSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208987 1263136247 /nfs/dbraw/zinc/13/62/47/1263136247.db2.gz RVLGOHLULFGGAJ-MSOLQXFVSA-N 2 1 361.490 0.433 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)[C@H](c2cnn(C)c2)C1 ZINC001304208987 1263136248 /nfs/dbraw/zinc/13/62/48/1263136248.db2.gz RVLGOHLULFGGAJ-MSOLQXFVSA-N 2 1 361.490 0.433 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001479667837 1263322422 /nfs/dbraw/zinc/32/24/22/1263322422.db2.gz ZPLBMUFJBNPZQG-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001479670167 1263328923 /nfs/dbraw/zinc/32/89/23/1263328923.db2.gz RUENNHWPKJAXKC-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001316708230 1263432354 /nfs/dbraw/zinc/43/23/54/1263432354.db2.gz MHUYTBLPIVIFDM-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632320 1263517793 /nfs/dbraw/zinc/51/77/93/1263517793.db2.gz SWEGPUOLZBTYMB-NXHRZFHOSA-N 2 1 360.502 0.857 20 0 FCADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001487189257 1263594101 /nfs/dbraw/zinc/59/41/01/1263594101.db2.gz CAIHIJUEAMLQBT-JJRVBVJISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001487189257 1263594110 /nfs/dbraw/zinc/59/41/10/1263594110.db2.gz CAIHIJUEAMLQBT-JJRVBVJISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001487189257 1263594117 /nfs/dbraw/zinc/59/41/17/1263594117.db2.gz CAIHIJUEAMLQBT-JJRVBVJISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CCCN2CCCC2=O)C2CC2)CC[N@H+]1C ZINC001493372169 1263718910 /nfs/dbraw/zinc/71/89/10/1263718910.db2.gz HRQIUGOCLDZUSP-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CCCN2CCCC2=O)C2CC2)CC[NH+]1C ZINC001493372169 1263718917 /nfs/dbraw/zinc/71/89/17/1263718917.db2.gz HRQIUGOCLDZUSP-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CCCN2CCCC2=O)C2CC2)CC[NH+]1C ZINC001493372169 1263718924 /nfs/dbraw/zinc/71/89/24/1263718924.db2.gz HRQIUGOCLDZUSP-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP NC(=O)C[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CC(N)=O)C3)COC2)C1 ZINC001320115397 1263763944 /nfs/dbraw/zinc/76/39/44/1263763944.db2.gz FEDBOQLHCZRRDN-HZPDHXFCSA-N 2 1 366.506 0.178 20 0 FCADMP CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCC2)C1=O ZINC001495915534 1263842504 /nfs/dbraw/zinc/84/25/04/1263842504.db2.gz UZAPOCKOYZZNOT-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC001320952844 1263885746 /nfs/dbraw/zinc/88/57/46/1263885746.db2.gz OMAVHHLGBDPFNJ-KBPBESRZSA-N 2 1 362.478 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C ZINC001580387729 1278211088 /nfs/dbraw/zinc/21/10/88/1278211088.db2.gz FBZXWRQQBOTHKR-DGCLKSJQSA-N 2 1 363.491 0.864 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C12CCC[NH+]1CCC2 ZINC001496770948 1263892930 /nfs/dbraw/zinc/89/29/30/1263892930.db2.gz CGEKCWIHTQCWGI-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001321423394 1263958047 /nfs/dbraw/zinc/95/80/47/1263958047.db2.gz VLGYYKRHVRHESO-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001321423394 1263958055 /nfs/dbraw/zinc/95/80/55/1263958055.db2.gz VLGYYKRHVRHESO-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001321423394 1263958063 /nfs/dbraw/zinc/95/80/63/1263958063.db2.gz VLGYYKRHVRHESO-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001499356856 1264024571 /nfs/dbraw/zinc/02/45/71/1264024571.db2.gz KDLJQEKXRGIKLP-KSZLIROESA-N 2 1 361.486 0.578 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580386224 1278211310 /nfs/dbraw/zinc/21/13/10/1278211310.db2.gz PMUJFNHDFVHAJF-BLYZHGLHSA-N 2 1 370.461 0.425 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001321851415 1264080590 /nfs/dbraw/zinc/08/05/90/1264080590.db2.gz XTYPVTRWIRADBH-OAHLLOKOSA-N 2 1 370.457 0.602 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CC)[C@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503112650 1264194018 /nfs/dbraw/zinc/19/40/18/1264194018.db2.gz IXLJJEKCBFBZPQ-QAPCUYQASA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001503112650 1264194023 /nfs/dbraw/zinc/19/40/23/1264194023.db2.gz IXLJJEKCBFBZPQ-QAPCUYQASA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001503112650 1264194026 /nfs/dbraw/zinc/19/40/26/1264194026.db2.gz IXLJJEKCBFBZPQ-QAPCUYQASA-N 2 1 366.510 0.412 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001322688904 1264242549 /nfs/dbraw/zinc/24/25/49/1264242549.db2.gz RGASESAVHXDASR-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001324171176 1264589594 /nfs/dbraw/zinc/58/95/94/1264589594.db2.gz NNRUBCQPMGYYHW-IRXDYDNUSA-N 2 1 361.490 0.277 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001324171176 1264589599 /nfs/dbraw/zinc/58/95/99/1264589599.db2.gz NNRUBCQPMGYYHW-IRXDYDNUSA-N 2 1 361.490 0.277 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CCC[NH+]1C ZINC001511855327 1264595990 /nfs/dbraw/zinc/59/59/90/1264595990.db2.gz WUIIMLAFVMTHKI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001511855327 1264595993 /nfs/dbraw/zinc/59/59/93/1264595993.db2.gz WUIIMLAFVMTHKI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001511855327 1264595995 /nfs/dbraw/zinc/59/59/95/1264595995.db2.gz WUIIMLAFVMTHKI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC001324906791 1264733621 /nfs/dbraw/zinc/73/36/21/1264733621.db2.gz OIOLTCYRVFSHBC-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001513404959 1265105138 /nfs/dbraw/zinc/10/51/38/1265105138.db2.gz RENMQSDZEDRBDK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001513404959 1265105142 /nfs/dbraw/zinc/10/51/42/1265105142.db2.gz RENMQSDZEDRBDK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001513404959 1265105148 /nfs/dbraw/zinc/10/51/48/1265105148.db2.gz RENMQSDZEDRBDK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001326591864 1265138125 /nfs/dbraw/zinc/13/81/25/1265138125.db2.gz PCYKJLAZWNDGHH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC001326968111 1265209307 /nfs/dbraw/zinc/20/93/07/1265209307.db2.gz JUFBPFMVJSCKEJ-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001514148893 1265327688 /nfs/dbraw/zinc/32/76/88/1265327688.db2.gz BYYWTPAHKYVZDT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001514148893 1265327699 /nfs/dbraw/zinc/32/76/99/1265327699.db2.gz BYYWTPAHKYVZDT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001514148893 1265327711 /nfs/dbraw/zinc/32/77/11/1265327711.db2.gz BYYWTPAHKYVZDT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001327465931 1265331812 /nfs/dbraw/zinc/33/18/12/1265331812.db2.gz RNIXEJJKFNRMSK-IAGOWNOFSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC001333282381 1266570584 /nfs/dbraw/zinc/57/05/84/1266570584.db2.gz RCMBHZXMIYTBID-SFHVURJKSA-N 2 1 357.502 0.752 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006131 1266774587 /nfs/dbraw/zinc/77/45/87/1266774587.db2.gz SNBAOXIKCLOLFB-YVSFHVDLSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001528046793 1266940524 /nfs/dbraw/zinc/94/05/24/1266940524.db2.gz SYQTWIVSCWGFHP-HKUYNNGSSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099756 1266943732 /nfs/dbraw/zinc/94/37/32/1266943732.db2.gz FGUJMXJOIYCCKR-MSOLQXFVSA-N 2 1 363.550 0.251 20 0 FCADMP Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001543224370 1267533270 /nfs/dbraw/zinc/53/32/70/1267533270.db2.gz AGLGLXLWRGBJTE-HKUYNNGSSA-N 2 1 362.522 0.965 20 0 FCADMP [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001549109670 1267811550 /nfs/dbraw/zinc/81/15/50/1267811550.db2.gz CHLQCYKSIJBTJL-FUHWJXTLSA-N 2 1 366.506 0.638 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC001549215098 1267859018 /nfs/dbraw/zinc/85/90/18/1267859018.db2.gz UTLRTDWPUCGORY-VGWMRTNUSA-N 2 1 352.479 0.387 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC001549215095 1267859094 /nfs/dbraw/zinc/85/90/94/1267859094.db2.gz UTLRTDWPUCGORY-JONQDZQNSA-N 2 1 352.479 0.387 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001549336125 1267902770 /nfs/dbraw/zinc/90/27/70/1267902770.db2.gz GBUIXQIKKRABII-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001549336125 1267902776 /nfs/dbraw/zinc/90/27/76/1267902776.db2.gz GBUIXQIKKRABII-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001549367318 1267911457 /nfs/dbraw/zinc/91/14/57/1267911457.db2.gz YXHMQWRYNAODQG-ZACQAIPSSA-N 2 1 366.506 0.386 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001549367318 1267911465 /nfs/dbraw/zinc/91/14/65/1267911465.db2.gz YXHMQWRYNAODQG-ZACQAIPSSA-N 2 1 366.506 0.386 20 0 FCADMP CN(CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC001338424269 1267937618 /nfs/dbraw/zinc/93/76/18/1267937618.db2.gz RLDYPRMKNWEAHU-KRWDZBQOSA-N 2 1 355.504 0.495 20 0 FCADMP CN(CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC001338424269 1267937626 /nfs/dbraw/zinc/93/76/26/1267937626.db2.gz RLDYPRMKNWEAHU-KRWDZBQOSA-N 2 1 355.504 0.495 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1n1ccnn1 ZINC001549554823 1267954141 /nfs/dbraw/zinc/95/41/41/1267954141.db2.gz WNQKZSFUEIKSAX-QBPKDAKJSA-N 2 1 361.494 0.792 20 0 FCADMP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2cnn3c2C[NH2+]CC3)C1 ZINC001549745546 1267985883 /nfs/dbraw/zinc/98/58/83/1267985883.db2.gz JNVZHPVFCQIKLT-CVEARBPZSA-N 2 1 362.478 0.381 20 0 FCADMP C[C@H](NC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC001549744774 1267986911 /nfs/dbraw/zinc/98/69/11/1267986911.db2.gz JJDZXECITBRFEI-LXZKKBNFSA-N 2 1 363.462 0.341 20 0 FCADMP C[C@H](NC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001549744774 1267986919 /nfs/dbraw/zinc/98/69/19/1267986919.db2.gz JJDZXECITBRFEI-LXZKKBNFSA-N 2 1 363.462 0.341 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001549761659 1267994401 /nfs/dbraw/zinc/99/44/01/1267994401.db2.gz CKZJNDXWJBQXJU-DJIMGWMZSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001549761659 1267994408 /nfs/dbraw/zinc/99/44/08/1267994408.db2.gz CKZJNDXWJBQXJU-DJIMGWMZSA-N 2 1 361.490 0.686 20 0 FCADMP O=C(N[C@@H]1CCc2n[nH]cc2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338592393 1267997596 /nfs/dbraw/zinc/99/75/96/1267997596.db2.gz YLCPASLJNAYCQK-OIISXLGYSA-N 2 1 358.490 0.877 20 0 FCADMP CC1(C)CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CCO ZINC001338682493 1268040515 /nfs/dbraw/zinc/04/05/15/1268040515.db2.gz JHNNBKNJSMUTCO-OAHLLOKOSA-N 2 1 354.495 0.243 20 0 FCADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)CC1 ZINC001550481435 1268126518 /nfs/dbraw/zinc/12/65/18/1268126518.db2.gz IGOFEGOLZFEYNL-NEPXVJNWSA-N 2 1 352.523 0.220 20 0 FCADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541032 1268129570 /nfs/dbraw/zinc/12/95/70/1268129570.db2.gz PKJIDULFMAPSTR-DLBZAZTESA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541032 1268129577 /nfs/dbraw/zinc/12/95/77/1268129577.db2.gz PKJIDULFMAPSTR-DLBZAZTESA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC001550541032 1268129582 /nfs/dbraw/zinc/12/95/82/1268129582.db2.gz PKJIDULFMAPSTR-DLBZAZTESA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@@H]2C1 ZINC001550567950 1268134201 /nfs/dbraw/zinc/13/42/01/1268134201.db2.gz BTFAVEVAZMRZKN-CABLIKTCSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@H+](C)C[C@H]4C3)C[C@@H]2C1 ZINC001550567950 1268134203 /nfs/dbraw/zinc/13/42/03/1268134203.db2.gz BTFAVEVAZMRZKN-CABLIKTCSA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@H]4C3)C[C@@H]2C1 ZINC001550567950 1268134206 /nfs/dbraw/zinc/13/42/06/1268134206.db2.gz BTFAVEVAZMRZKN-CABLIKTCSA-N 2 1 374.529 0.443 20 0 FCADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1CC[NH3+] ZINC001550730789 1268157663 /nfs/dbraw/zinc/15/76/63/1268157663.db2.gz JBCNBWVQYJPIHI-JKSUJKDBSA-N 2 1 354.495 0.494 20 0 FCADMP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550745271 1268160012 /nfs/dbraw/zinc/16/00/12/1268160012.db2.gz RHBBOCYIRABKAJ-XHSDSOJGSA-N 2 1 352.479 0.260 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NCC(=O)N[C@@H]4C3)C2)cc1 ZINC001550751829 1268161581 /nfs/dbraw/zinc/16/15/81/1268161581.db2.gz ROGWHFVLYSYMCJ-OKZBNKHCSA-N 2 1 371.485 0.441 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC(=O)N[C@@H]4C3)C2)cc1 ZINC001550751829 1268161592 /nfs/dbraw/zinc/16/15/92/1268161592.db2.gz ROGWHFVLYSYMCJ-OKZBNKHCSA-N 2 1 371.485 0.441 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@H](O)C2)C1 ZINC001550749308 1268161622 /nfs/dbraw/zinc/16/16/22/1268161622.db2.gz BUKGEGQUUMJGCQ-ROUUACIJSA-N 2 1 362.474 0.172 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@H](O)C2)C1 ZINC001550749308 1268161627 /nfs/dbraw/zinc/16/16/27/1268161627.db2.gz BUKGEGQUUMJGCQ-ROUUACIJSA-N 2 1 362.474 0.172 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC001551026185 1268193599 /nfs/dbraw/zinc/19/35/99/1268193599.db2.gz KSTXZIBWWUAOGI-SJLPKXTDSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC001551026185 1268193605 /nfs/dbraw/zinc/19/36/05/1268193605.db2.gz KSTXZIBWWUAOGI-SJLPKXTDSA-N 2 1 363.506 0.417 20 0 FCADMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC001551228919 1268216148 /nfs/dbraw/zinc/21/61/48/1268216148.db2.gz QAIATJOEBFWJPM-UHOSZYNNSA-N 2 1 358.486 0.792 20 0 FCADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC001551228919 1268216152 /nfs/dbraw/zinc/21/61/52/1268216152.db2.gz QAIATJOEBFWJPM-UHOSZYNNSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001551228919 1268216155 /nfs/dbraw/zinc/21/61/55/1268216155.db2.gz QAIATJOEBFWJPM-UHOSZYNNSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001551228919 1268216159 /nfs/dbraw/zinc/21/61/59/1268216159.db2.gz QAIATJOEBFWJPM-UHOSZYNNSA-N 2 1 358.486 0.792 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@@H]1COCC2 ZINC001551427901 1268245106 /nfs/dbraw/zinc/24/51/06/1268245106.db2.gz VCTGNEQPTMXVGX-DNVCBOLYSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551579643 1268277998 /nfs/dbraw/zinc/27/79/98/1268277998.db2.gz OSDCQQJTMTVBKA-YQQAZPJKSA-N 2 1 365.522 0.805 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551586753 1268279427 /nfs/dbraw/zinc/27/94/27/1268279427.db2.gz HGFJYNACHPTGFF-XZZQLLPFSA-N 2 1 358.490 0.771 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551585362 1268280115 /nfs/dbraw/zinc/28/01/15/1268280115.db2.gz ATUZEOSQUKVIKA-KBEGMRNHSA-N 2 1 365.522 0.757 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)N(c2cc(N)[nH+]cn2)C1 ZINC001551938603 1268316350 /nfs/dbraw/zinc/31/63/50/1268316350.db2.gz KKZDBEZJMZZXJU-ZJIFWQFVSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)N(c2cc(N)[nH+]cn2)C1 ZINC001551938603 1268316361 /nfs/dbraw/zinc/31/63/61/1268316361.db2.gz KKZDBEZJMZZXJU-ZJIFWQFVSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001552008876 1268350552 /nfs/dbraw/zinc/35/05/52/1268350552.db2.gz BQCQDRZYZQOQMT-YESZJQIVSA-N 2 1 353.511 0.127 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001552014668 1268351990 /nfs/dbraw/zinc/35/19/90/1268351990.db2.gz XNHWIBAEYUBUHQ-HZMVEIRTSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001552014668 1268351999 /nfs/dbraw/zinc/35/19/99/1268351999.db2.gz XNHWIBAEYUBUHQ-HZMVEIRTSA-N 2 1 354.495 0.600 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001552095582 1268371924 /nfs/dbraw/zinc/37/19/24/1268371924.db2.gz IDJKPEZGVHNRMF-ZACQAIPSSA-N 2 1 364.494 0.213 20 0 FCADMP COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001339935123 1268377480 /nfs/dbraw/zinc/37/74/80/1268377480.db2.gz ZDMQNOXYJBRUFI-OAHLLOKOSA-N 2 1 360.458 0.778 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)nn1 ZINC001552167755 1268399248 /nfs/dbraw/zinc/39/92/48/1268399248.db2.gz IKGOPAWRIOVQFB-BFYDXBDKSA-N 2 1 373.461 0.176 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@H+]1CCOC ZINC001552179587 1268404169 /nfs/dbraw/zinc/40/41/69/1268404169.db2.gz LECXYNOGZWXBRQ-KBAYOESNSA-N 2 1 363.506 0.601 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201397 1268408182 /nfs/dbraw/zinc/40/81/82/1268408182.db2.gz MUBDEOQTHJKITO-OXQOHEQNSA-N 2 1 372.469 0.639 20 0 FCADMP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCN(Cc2ccccc2)CC1 ZINC001552205526 1268409772 /nfs/dbraw/zinc/40/97/72/1268409772.db2.gz ZQDJGMVBGAFXQZ-YLJYHZDGSA-N 2 1 358.486 0.332 20 0 FCADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001552225483 1268417053 /nfs/dbraw/zinc/41/70/53/1268417053.db2.gz UPHLWCJUAIABCL-WCVJEAGWSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@@H](O)C[C@@H]2C1 ZINC001552225483 1268417055 /nfs/dbraw/zinc/41/70/55/1268417055.db2.gz UPHLWCJUAIABCL-WCVJEAGWSA-N 2 1 362.478 0.089 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@@H](O)C[C@@H]2C1 ZINC001552225483 1268417059 /nfs/dbraw/zinc/41/70/59/1268417059.db2.gz UPHLWCJUAIABCL-WCVJEAGWSA-N 2 1 362.478 0.089 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606553 1268489259 /nfs/dbraw/zinc/48/92/59/1268489259.db2.gz CGBFXMVBSYPCBC-OAGGEKHMSA-N 2 1 363.510 0.895 20 0 FCADMP CN(Cc1cnn2c1C[NH2+]CC2)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552680665 1268520020 /nfs/dbraw/zinc/52/00/20/1268520020.db2.gz PBGCMZBSHDMUTB-AWEZNQCLSA-N 2 1 358.450 0.165 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552699378 1268523915 /nfs/dbraw/zinc/52/39/15/1268523915.db2.gz VIQNZJVJOWPHTF-GDBMZVCRSA-N 2 1 364.494 0.903 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@@H]21 ZINC001552698803 1268524082 /nfs/dbraw/zinc/52/40/82/1268524082.db2.gz VAJFKFORAVFQKG-HOCLYGCPSA-N 2 1 359.474 0.717 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[NH+](C(C)(C)C)CC2)n1 ZINC001552706513 1268526259 /nfs/dbraw/zinc/52/62/59/1268526259.db2.gz JIOOITIXXOTQLS-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[NH+](C(C)(C)C)CC2)n1 ZINC001552706513 1268526266 /nfs/dbraw/zinc/52/62/66/1268526266.db2.gz JIOOITIXXOTQLS-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001552706513 1268526271 /nfs/dbraw/zinc/52/62/71/1268526271.db2.gz JIOOITIXXOTQLS-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001552706513 1268526278 /nfs/dbraw/zinc/52/62/78/1268526278.db2.gz JIOOITIXXOTQLS-MRXNPFEDSA-N 2 1 363.506 0.933 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC001552711480 1268530243 /nfs/dbraw/zinc/53/02/43/1268530243.db2.gz UWQLEEYITYXGQP-UAGQMJEPSA-N 2 1 363.506 0.789 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC001552711480 1268530246 /nfs/dbraw/zinc/53/02/46/1268530246.db2.gz UWQLEEYITYXGQP-UAGQMJEPSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC001552711480 1268530248 /nfs/dbraw/zinc/53/02/48/1268530248.db2.gz UWQLEEYITYXGQP-UAGQMJEPSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC001552711480 1268530252 /nfs/dbraw/zinc/53/02/52/1268530252.db2.gz UWQLEEYITYXGQP-UAGQMJEPSA-N 2 1 363.506 0.789 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552712339 1268532880 /nfs/dbraw/zinc/53/28/80/1268532880.db2.gz SQUDGBPTCFTJSJ-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552712339 1268532881 /nfs/dbraw/zinc/53/28/81/1268532881.db2.gz SQUDGBPTCFTJSJ-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001340486434 1268564568 /nfs/dbraw/zinc/56/45/68/1268564568.db2.gz NBTVLPSQGVDBPS-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCO[C@@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957735 1268569699 /nfs/dbraw/zinc/56/96/99/1268569699.db2.gz JEIATRPKBPQDQO-FGTMMUONSA-N 2 1 365.522 0.175 20 0 FCADMP Cn1cc([C@@H]2[C@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976180 1268571221 /nfs/dbraw/zinc/57/12/21/1268571221.db2.gz OPOVONCGQKJUML-YJBOKZPZSA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@@H]2[C@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@@H+]2C)cn1 ZINC001552976180 1268571223 /nfs/dbraw/zinc/57/12/23/1268571223.db2.gz OPOVONCGQKJUML-YJBOKZPZSA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@@H]2[C@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@H+]2C)cn1 ZINC001552976180 1268571227 /nfs/dbraw/zinc/57/12/27/1268571227.db2.gz OPOVONCGQKJUML-YJBOKZPZSA-N 2 1 362.522 0.413 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)C2 ZINC001552996894 1268574913 /nfs/dbraw/zinc/57/49/13/1268574913.db2.gz WSWJLJFYGNFOKL-ZMMAXQRCSA-N 2 1 368.522 0.222 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC001553032872 1268582633 /nfs/dbraw/zinc/58/26/33/1268582633.db2.gz PKOZLBYAERJNFC-MRXNPFEDSA-N 2 1 358.446 0.378 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC001553032872 1268582639 /nfs/dbraw/zinc/58/26/39/1268582639.db2.gz PKOZLBYAERJNFC-MRXNPFEDSA-N 2 1 358.446 0.378 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375476 1268638169 /nfs/dbraw/zinc/63/81/69/1268638169.db2.gz XBGAWUMVAQUGMC-PXNSSMCTSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375476 1268638179 /nfs/dbraw/zinc/63/81/79/1268638179.db2.gz XBGAWUMVAQUGMC-PXNSSMCTSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@@H]2C1 ZINC001553385269 1268643101 /nfs/dbraw/zinc/64/31/01/1268643101.db2.gz ZVOZHTYZWGXVFJ-FZKQIMNGSA-N 2 1 364.877 0.727 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC12CCOCC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001553459300 1268654982 /nfs/dbraw/zinc/65/49/82/1268654982.db2.gz CUUXBLOVWGVYQG-IXDOHACOSA-N 2 1 366.506 0.698 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C[C@H]1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553553612 1268669919 /nfs/dbraw/zinc/66/99/19/1268669919.db2.gz VXUPBFXCMWTLAP-TWMKSMIVSA-N 3 1 353.486 0.687 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C[C@H]1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553553612 1268669928 /nfs/dbraw/zinc/66/99/28/1268669928.db2.gz VXUPBFXCMWTLAP-TWMKSMIVSA-N 2 1 353.486 0.687 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1=O ZINC001341549499 1269072827 /nfs/dbraw/zinc/07/28/27/1269072827.db2.gz JTYAJKNGQJYIDU-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001342091604 1269342734 /nfs/dbraw/zinc/34/27/34/1269342734.db2.gz YUTGYPRQJIFLTK-DLBZAZTESA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001342091606 1269343000 /nfs/dbraw/zinc/34/30/00/1269343000.db2.gz YUTGYPRQJIFLTK-IAGOWNOFSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037536 1269405054 /nfs/dbraw/zinc/40/50/54/1269405054.db2.gz OIOBTCXPTJPQAC-DLBZAZTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037536 1269405059 /nfs/dbraw/zinc/40/50/59/1269405059.db2.gz OIOBTCXPTJPQAC-DLBZAZTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037536 1269405066 /nfs/dbraw/zinc/40/50/66/1269405066.db2.gz OIOBTCXPTJPQAC-DLBZAZTESA-N 2 1 355.527 0.016 20 0 FCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@H]21 ZINC001564898493 1269441422 /nfs/dbraw/zinc/44/14/22/1269441422.db2.gz UYUZOPIVZFODPO-CVEARBPZSA-N 2 1 352.479 0.213 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@@H]21 ZINC001564898493 1269441426 /nfs/dbraw/zinc/44/14/26/1269441426.db2.gz UYUZOPIVZFODPO-CVEARBPZSA-N 2 1 352.479 0.213 20 0 FCADMP [NH3+][C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001342470403 1269483945 /nfs/dbraw/zinc/48/39/45/1269483945.db2.gz ZGNPNQUHNBSODS-VQTJNVASSA-N 2 1 374.529 0.859 20 0 FCADMP [NH3+][C@H](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001342470401 1269484025 /nfs/dbraw/zinc/48/40/25/1269484025.db2.gz ZGNPNQUHNBSODS-PMACEKPBSA-N 2 1 374.529 0.859 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001565866024 1269498495 /nfs/dbraw/zinc/49/84/95/1269498495.db2.gz VNMHWSDLTXOEFG-AAVRWANBSA-N 2 1 365.503 0.906 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2CN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001342828467 1269629787 /nfs/dbraw/zinc/62/97/87/1269629787.db2.gz BVKHVVPGFIVUFE-ULQDDVLXSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnn(C)n1 ZINC001568195376 1269722145 /nfs/dbraw/zinc/72/21/45/1269722145.db2.gz CEXXWEPVPVVBSV-OIISXLGYSA-N 2 1 371.489 0.397 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnn(C)n1 ZINC001568195376 1269722150 /nfs/dbraw/zinc/72/21/50/1269722150.db2.gz CEXXWEPVPVVBSV-OIISXLGYSA-N 2 1 371.489 0.397 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001343013484 1269729652 /nfs/dbraw/zinc/72/96/52/1269729652.db2.gz FWWAYTXMKYUFAZ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OC ZINC001343013484 1269729657 /nfs/dbraw/zinc/72/96/57/1269729657.db2.gz FWWAYTXMKYUFAZ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OC ZINC001343013484 1269729662 /nfs/dbraw/zinc/72/96/62/1269729662.db2.gz FWWAYTXMKYUFAZ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1OC ZINC001343015600 1269731494 /nfs/dbraw/zinc/73/14/94/1269731494.db2.gz UVGUEVUOLYCUEX-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O)C1CCC1 ZINC001572828533 1270208387 /nfs/dbraw/zinc/20/83/87/1270208387.db2.gz IWTRCKKASZSDPW-IAGOWNOFSA-N 2 1 371.441 0.120 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001573044087 1270562491 /nfs/dbraw/zinc/56/24/91/1270562491.db2.gz LUUBJXBYVZGUJM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001573044087 1270562498 /nfs/dbraw/zinc/56/24/98/1270562498.db2.gz LUUBJXBYVZGUJM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001573044087 1270562500 /nfs/dbraw/zinc/56/25/00/1270562500.db2.gz LUUBJXBYVZGUJM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1OCC ZINC001573217308 1270687676 /nfs/dbraw/zinc/68/76/76/1270687676.db2.gz WUDLLDRLRPNXBL-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001573217308 1270687683 /nfs/dbraw/zinc/68/76/83/1270687683.db2.gz WUDLLDRLRPNXBL-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001573217308 1270687691 /nfs/dbraw/zinc/68/76/91/1270687691.db2.gz WUDLLDRLRPNXBL-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974534 1270967439 /nfs/dbraw/zinc/96/74/39/1270967439.db2.gz OPQNMLYLEZFGGL-CZUORRHYSA-N 2 1 372.477 0.885 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573976835 1270970513 /nfs/dbraw/zinc/97/05/13/1270970513.db2.gz JHIFMCFDIWLLEG-BBRMVZONSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574210209 1271099656 /nfs/dbraw/zinc/09/96/56/1271099656.db2.gz IRJPDYNKYCZWER-INIZCTEOSA-N 2 1 372.477 0.935 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574261781 1271137234 /nfs/dbraw/zinc/13/72/34/1271137234.db2.gz LKLFYZWDFHHRLC-UHFFFAOYSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574288226 1271163518 /nfs/dbraw/zinc/16/35/18/1271163518.db2.gz GNBWAPAQCPGXOS-OAHLLOKOSA-N 2 1 370.461 0.617 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543190 1271327529 /nfs/dbraw/zinc/32/75/29/1271327529.db2.gz GXHKVFQRJLJMLV-QWHCGFSZSA-N 2 1 360.466 0.719 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870884 1271620970 /nfs/dbraw/zinc/62/09/70/1271620970.db2.gz DYDRXZPWFUYXAM-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870693 1271622946 /nfs/dbraw/zinc/62/29/46/1271622946.db2.gz CTDYRYNZTRBANZ-ABAIWWIYSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877475 1271636595 /nfs/dbraw/zinc/63/65/95/1271636595.db2.gz SAZSHMPUTOILNI-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877475 1271636600 /nfs/dbraw/zinc/63/66/00/1271636600.db2.gz SAZSHMPUTOILNI-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877475 1271636603 /nfs/dbraw/zinc/63/66/03/1271636603.db2.gz SAZSHMPUTOILNI-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877475 1271636607 /nfs/dbraw/zinc/63/66/07/1271636607.db2.gz SAZSHMPUTOILNI-NWDGAFQWSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886298 1271645290 /nfs/dbraw/zinc/64/52/90/1271645290.db2.gz MRRPINKTSWOPCN-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886298 1271645297 /nfs/dbraw/zinc/64/52/97/1271645297.db2.gz MRRPINKTSWOPCN-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886298 1271645301 /nfs/dbraw/zinc/64/53/01/1271645301.db2.gz MRRPINKTSWOPCN-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886298 1271645306 /nfs/dbraw/zinc/64/53/06/1271645306.db2.gz MRRPINKTSWOPCN-CZUORRHYSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895993 1271656533 /nfs/dbraw/zinc/65/65/33/1271656533.db2.gz BESAWWYZLIXICE-RYUDHWBXSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC001575062165 1271703254 /nfs/dbraw/zinc/70/32/54/1271703254.db2.gz INIBDTNQPFUHAD-QAPCUYQASA-N 2 1 358.486 0.343 20 0 FCADMP CC(C)(C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1)[NH+]1CCCCC1 ZINC001575236956 1271843524 /nfs/dbraw/zinc/84/35/24/1271843524.db2.gz KKSSETCWEGMQDB-MRXNPFEDSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2cnn[nH]2)CC1 ZINC001575421289 1272083571 /nfs/dbraw/zinc/08/35/71/1272083571.db2.gz SMJCWOILZIRVQQ-HNNXBMFYSA-N 2 1 350.467 0.121 20 0 FCADMP CC(C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001575682483 1272294772 /nfs/dbraw/zinc/29/47/72/1272294772.db2.gz PUPBPRLJSHKUCH-SOUVJXGZSA-N 2 1 363.510 0.490 20 0 FCADMP C[C@@H]([NH2+]CCc1c[nH]nn1)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688687 1272300441 /nfs/dbraw/zinc/30/04/41/1272300441.db2.gz BSPZSOVJZUWFDI-HUUCEWRRSA-N 2 1 374.493 0.246 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC(C)(C)[NH3+] ZINC001575713176 1272353785 /nfs/dbraw/zinc/35/37/85/1272353785.db2.gz SQMNNDDVIICEBY-KGLIPLIRSA-N 2 1 363.510 0.827 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001575716549 1272359878 /nfs/dbraw/zinc/35/98/78/1272359878.db2.gz QHZBISQNYSCQPP-CQSZACIVSA-N 2 1 372.477 0.285 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001575717768 1272365466 /nfs/dbraw/zinc/36/54/66/1272365466.db2.gz QQODIFZRTJFFEX-AWEZNQCLSA-N 2 1 352.483 0.319 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001575717768 1272365481 /nfs/dbraw/zinc/36/54/81/1272365481.db2.gz QQODIFZRTJFFEX-AWEZNQCLSA-N 2 1 352.483 0.319 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001575717768 1272365494 /nfs/dbraw/zinc/36/54/94/1272365494.db2.gz QQODIFZRTJFFEX-AWEZNQCLSA-N 2 1 352.483 0.319 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007170 1272692614 /nfs/dbraw/zinc/69/26/14/1272692614.db2.gz ZRDQWBFXZQRMNA-UONOGXRCSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)S(C)(=O)=O ZINC001576007170 1272692621 /nfs/dbraw/zinc/69/26/21/1272692621.db2.gz ZRDQWBFXZQRMNA-UONOGXRCSA-N 2 1 355.508 0.432 20 0 FCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576104623 1272887257 /nfs/dbraw/zinc/88/72/57/1272887257.db2.gz HGCNECOYVZVCAU-ZIAGYGMSSA-N 2 1 357.499 0.964 20 0 FCADMP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576144323 1272958403 /nfs/dbraw/zinc/95/84/03/1272958403.db2.gz XORQLGFZFCICIC-GJZGRUSLSA-N 2 1 374.493 0.103 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576254732 1273036728 /nfs/dbraw/zinc/03/67/28/1273036728.db2.gz FAYGTZQGAPOZGW-KGLIPLIRSA-N 2 1 372.477 0.530 20 0 FCADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001576257475 1273043158 /nfs/dbraw/zinc/04/31/58/1273043158.db2.gz AYPFJCXCMAKVAI-CXAGYDPISA-N 2 1 358.483 0.049 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557682 1273436711 /nfs/dbraw/zinc/43/67/11/1273436711.db2.gz SRTJVGMIJOTPLW-HOTGVXAUSA-N 2 1 362.478 0.181 20 0 FCADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823431 1273746514 /nfs/dbraw/zinc/74/65/14/1273746514.db2.gz MNARFOGCLCTFGQ-GXTWGEPZSA-N 2 1 372.477 0.641 20 0 FCADMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824098 1273747962 /nfs/dbraw/zinc/74/79/62/1273747962.db2.gz QETGUMDACGRPOI-CYBMUJFWSA-N 2 1 374.493 0.968 20 0 FCADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824598 1273748173 /nfs/dbraw/zinc/74/81/73/1273748173.db2.gz SJAYMKNNXPGIDI-QWHCGFSZSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576827605 1273753011 /nfs/dbraw/zinc/75/30/11/1273753011.db2.gz SCJWGBALEVOSKG-BFYDXBDKSA-N 2 1 371.489 0.844 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847535 1273792890 /nfs/dbraw/zinc/79/28/90/1273792890.db2.gz GGXIJEDMSFCDIL-HEHGZKQESA-N 2 1 372.477 0.721 20 0 FCADMP C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001576862836 1273825566 /nfs/dbraw/zinc/82/55/66/1273825566.db2.gz WFNUQPQHWIQOJD-JKSUJKDBSA-N 2 1 373.505 0.802 20 0 FCADMP C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001576862836 1273825571 /nfs/dbraw/zinc/82/55/71/1273825571.db2.gz WFNUQPQHWIQOJD-JKSUJKDBSA-N 2 1 373.505 0.802 20 0 FCADMP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CCc3c[nH]nn3)CCOCC2)CC1 ZINC001576875357 1273851928 /nfs/dbraw/zinc/85/19/28/1273851928.db2.gz FNOCXNISHFFFSE-UHFFFAOYSA-N 2 1 364.494 0.334 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882446 /nfs/dbraw/zinc/88/24/46/1273882446.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882450 /nfs/dbraw/zinc/88/24/50/1273882450.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882456 /nfs/dbraw/zinc/88/24/56/1273882456.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882462 /nfs/dbraw/zinc/88/24/62/1273882462.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882468 /nfs/dbraw/zinc/88/24/68/1273882468.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882474 /nfs/dbraw/zinc/88/24/74/1273882474.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3cn[nH]n3)C2)[C@@H](c2ccccc2)C1 ZINC001576890409 1273882479 /nfs/dbraw/zinc/88/24/79/1273882479.db2.gz UYJQYOCUTFICEN-OTWHNJEPSA-N 2 1 368.485 0.883 20 0 FCADMP COCC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCc1c[nH]nn1 ZINC001576999210 1274033635 /nfs/dbraw/zinc/03/36/35/1274033635.db2.gz GLDOXQCOAROIIG-UHFFFAOYSA-N 2 1 364.494 0.288 20 0 FCADMP COCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCc1cn[nH]n1 ZINC001576999210 1274033654 /nfs/dbraw/zinc/03/36/54/1274033654.db2.gz GLDOXQCOAROIIG-UHFFFAOYSA-N 2 1 364.494 0.288 20 0 FCADMP COCC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCc1cn[nH]n1 ZINC001576999210 1274033661 /nfs/dbraw/zinc/03/36/61/1274033661.db2.gz GLDOXQCOAROIIG-UHFFFAOYSA-N 2 1 364.494 0.288 20 0 FCADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026561 1274082141 /nfs/dbraw/zinc/08/21/41/1274082141.db2.gz GACUWWIHRMIUIG-CABCVRRESA-N 2 1 366.510 0.676 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCOCC1 ZINC001577068445 1274133473 /nfs/dbraw/zinc/13/34/73/1274133473.db2.gz GLQVSTALZSPYKS-WMZOPIPTSA-N 2 1 356.511 0.619 20 0 FCADMP Cc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@H]32)ccc2c[nH+]cn21 ZINC001577237246 1274270116 /nfs/dbraw/zinc/27/01/16/1274270116.db2.gz AUXHELDUTNKAHW-FVQHAEBGSA-N 2 1 351.414 0.664 20 0 FCADMP Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@H]32)ccc2c[nH+]cn21 ZINC001577237246 1274270120 /nfs/dbraw/zinc/27/01/20/1274270120.db2.gz AUXHELDUTNKAHW-FVQHAEBGSA-N 2 1 351.414 0.664 20 0 FCADMP Cc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@H]32)ccc2c[nH+]cn21 ZINC001577237246 1274270125 /nfs/dbraw/zinc/27/01/25/1274270125.db2.gz AUXHELDUTNKAHW-FVQHAEBGSA-N 2 1 351.414 0.664 20 0 FCADMP CC[C@H]1CN(c2nnc(CC3CC3)n2CC[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC001577294837 1274311505 /nfs/dbraw/zinc/31/15/05/1274311505.db2.gz FGKLHWHVVZMXPP-IRXDYDNUSA-N 2 1 362.522 0.997 20 0 FCADMP CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH2+][C@H](C)C1 ZINC001577445328 1274411244 /nfs/dbraw/zinc/41/12/44/1274411244.db2.gz NAHGEQGEBXCVAR-OAHLLOKOSA-N 2 1 365.526 0.946 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551179 1274490460 /nfs/dbraw/zinc/49/04/60/1274490460.db2.gz QBBDRVRCBBVSKB-BLLLJJGKSA-N 2 1 372.477 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551184 1274491650 /nfs/dbraw/zinc/49/16/50/1274491650.db2.gz QBBDRVRCBBVSKB-MLGOLLRUSA-N 2 1 372.477 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577555089 1274496765 /nfs/dbraw/zinc/49/67/65/1274496765.db2.gz XQZCGDLDNUEXBJ-UKRRQHHQSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577554511 1274497645 /nfs/dbraw/zinc/49/76/45/1274497645.db2.gz SPYYVIAZAWDSMA-UONOGXRCSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577556592 1274498035 /nfs/dbraw/zinc/49/80/35/1274498035.db2.gz AXJKQHXQAAYKJZ-AWEZNQCLSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577556813 1274498846 /nfs/dbraw/zinc/49/88/46/1274498846.db2.gz IRMRFZHLHZZMBV-CYBMUJFWSA-N 2 1 358.450 0.347 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577558218 1274502836 /nfs/dbraw/zinc/50/28/36/1274502836.db2.gz DJJWKROACHNNMR-HIFRSBDPSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577559098 1274503737 /nfs/dbraw/zinc/50/37/37/1274503737.db2.gz RQCYIPJGQKLWEJ-CYBMUJFWSA-N 2 1 360.466 0.853 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563172 1274516792 /nfs/dbraw/zinc/51/67/92/1274516792.db2.gz MLEGYZPVXZHOSR-UHFFFAOYSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577565244 1274520053 /nfs/dbraw/zinc/52/00/53/1274520053.db2.gz LKSSGEUDWDLWPU-HDJSIYSDSA-N 2 1 372.477 0.865 20 0 FCADMP CCCN(CCNC(=O)C1(C[NH+](C)C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577588640 1274555951 /nfs/dbraw/zinc/55/59/51/1274555951.db2.gz VUWTTXPNXYZGIQ-UHFFFAOYSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577673007 1274704472 /nfs/dbraw/zinc/70/44/72/1274704472.db2.gz GBGZZZDGFDMKLO-HNNXBMFYSA-N 2 1 358.450 0.476 20 0 FCADMP CC[N@@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704253 1274765230 /nfs/dbraw/zinc/76/52/30/1274765230.db2.gz ILNKZPUGPLGUBJ-DZGCQCFKSA-N 2 1 353.463 0.755 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@H]1C ZINC001577760597 1274844178 /nfs/dbraw/zinc/84/41/78/1274844178.db2.gz YRHUUTWIPICRNE-ILXRZTDVSA-N 2 1 363.510 0.887 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H]([NH2+]C)C2)C1 ZINC001577764072 1274848676 /nfs/dbraw/zinc/84/86/76/1274848676.db2.gz PROXFBFFJQBKEQ-GJZGRUSLSA-N 2 1 356.478 0.875 20 0 FCADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3C[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775993 1274866622 /nfs/dbraw/zinc/86/66/22/1274866622.db2.gz UWYRXHJHKRMOPS-MSOLQXFVSA-N 2 1 361.538 0.802 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH2+]C)C[C@@H]1C ZINC001577780948 1274875609 /nfs/dbraw/zinc/87/56/09/1274875609.db2.gz HRNZVISHNVIBMV-GJZGRUSLSA-N 2 1 363.510 0.652 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2Cc2nncn2C)C[C@H]1C ZINC001577782303 1274876119 /nfs/dbraw/zinc/87/61/19/1274876119.db2.gz YTXLRYXWUYMHPO-CABCVRRESA-N 2 1 373.509 0.452 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCC(O)(C[NH2+]CCc2c[nH]nn2)CC1 ZINC001577827342 1274937629 /nfs/dbraw/zinc/93/76/29/1274937629.db2.gz ASSRUOSYKTVWED-UHFFFAOYSA-N 2 1 364.494 0.166 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852367 1274995352 /nfs/dbraw/zinc/99/53/52/1274995352.db2.gz PKFYSRRQMKTZBZ-CQSZACIVSA-N 2 1 372.477 0.888 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860679 1275025878 /nfs/dbraw/zinc/02/58/78/1275025878.db2.gz YRFDCDJSMYAWIT-OAHLLOKOSA-N 2 1 358.450 0.332 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577863491 1275037710 /nfs/dbraw/zinc/03/77/10/1275037710.db2.gz WOEOPKGSEYUYGJ-NSHDSACASA-N 2 1 351.480 0.864 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001577865327 1275040903 /nfs/dbraw/zinc/04/09/03/1275040903.db2.gz JWXKHTNBBMMGGT-ZNMIVQPWSA-N 2 1 363.510 0.758 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001577866349 1275042703 /nfs/dbraw/zinc/04/27/03/1275042703.db2.gz FKIWQLGJFYSYDC-UHFFFAOYSA-N 2 1 357.462 0.947 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577866915 1275047143 /nfs/dbraw/zinc/04/71/43/1275047143.db2.gz PAMIYTUMSYSAKT-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577866915 1275047150 /nfs/dbraw/zinc/04/71/50/1275047150.db2.gz PAMIYTUMSYSAKT-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577866915 1275047156 /nfs/dbraw/zinc/04/71/56/1275047156.db2.gz PAMIYTUMSYSAKT-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577866915 1275047161 /nfs/dbraw/zinc/04/71/61/1275047161.db2.gz PAMIYTUMSYSAKT-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577867246 1275049339 /nfs/dbraw/zinc/04/93/39/1275049339.db2.gz YLJKMLHBUASXNW-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577869484 1275052510 /nfs/dbraw/zinc/05/25/10/1275052510.db2.gz FBQIXHIYGJBUDG-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577869667 1275056055 /nfs/dbraw/zinc/05/60/55/1275056055.db2.gz NFDCRPWCHRNLDE-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(COCC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577900043 1275110707 /nfs/dbraw/zinc/11/07/07/1275110707.db2.gz WWWUTPFPZRJKTA-CABCVRRESA-N 2 1 352.483 0.333 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(COCC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577900043 1275110709 /nfs/dbraw/zinc/11/07/09/1275110709.db2.gz WWWUTPFPZRJKTA-CABCVRRESA-N 2 1 352.483 0.333 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949507 1275171160 /nfs/dbraw/zinc/17/11/60/1275171160.db2.gz JZVIBHWBYJQDLI-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949507 1275171163 /nfs/dbraw/zinc/17/11/63/1275171163.db2.gz JZVIBHWBYJQDLI-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001577949507 1275171166 /nfs/dbraw/zinc/17/11/66/1275171166.db2.gz JZVIBHWBYJQDLI-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950140 1275172496 /nfs/dbraw/zinc/17/24/96/1275172496.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950140 1275172502 /nfs/dbraw/zinc/17/25/02/1275172502.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001577950140 1275172507 /nfs/dbraw/zinc/17/25/07/1275172507.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577958485 1275181635 /nfs/dbraw/zinc/18/16/35/1275181635.db2.gz RPAXPZKCMRBGMT-CQSZACIVSA-N 2 1 372.477 0.854 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@H](C)C1 ZINC001578108080 1275410560 /nfs/dbraw/zinc/41/05/60/1275410560.db2.gz NVBJXFFNXJZZGJ-CVEARBPZSA-N 2 1 353.507 0.744 20 0 FCADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC[NH2+]C ZINC001578128943 1275428523 /nfs/dbraw/zinc/42/85/23/1275428523.db2.gz FDPVMJIMFJGFRI-CVEARBPZSA-N 2 1 366.510 0.581 20 0 FCADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)[NH2+]C ZINC001578133108 1275432154 /nfs/dbraw/zinc/43/21/54/1275432154.db2.gz YHOGSZRKBYJXQF-CRAIPNDOSA-N 2 1 366.510 0.724 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)CC1 ZINC001578216154 1275508628 /nfs/dbraw/zinc/50/86/28/1275508628.db2.gz ZHIUFRMIFLOZMJ-AWEZNQCLSA-N 2 1 371.493 0.899 20 0 FCADMP CC[N@@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578217838 1275511456 /nfs/dbraw/zinc/51/14/56/1275511456.db2.gz RBNWCOOMBBQDCM-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578217838 1275511469 /nfs/dbraw/zinc/51/14/69/1275511469.db2.gz RBNWCOOMBBQDCM-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219541 1275516071 /nfs/dbraw/zinc/51/60/71/1275516071.db2.gz MNLFSMSZEBMMLH-CJNGLKHVSA-N 2 1 372.477 0.783 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223667 1275523662 /nfs/dbraw/zinc/52/36/62/1275523662.db2.gz CYGOJINEZXRPPE-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223667 1275523667 /nfs/dbraw/zinc/52/36/67/1275523667.db2.gz CYGOJINEZXRPPE-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223885 1275524526 /nfs/dbraw/zinc/52/45/26/1275524526.db2.gz GNQBMPHVCZCYAW-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223885 1275524533 /nfs/dbraw/zinc/52/45/33/1275524533.db2.gz GNQBMPHVCZCYAW-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001578397582 1275771851 /nfs/dbraw/zinc/77/18/51/1275771851.db2.gz RGJXDHINBDKCKB-HUUCEWRRSA-N 2 1 353.511 0.616 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578444457 1275834687 /nfs/dbraw/zinc/83/46/87/1275834687.db2.gz SCUMMFNAFZBJPM-HEHGZKQESA-N 2 1 372.477 0.673 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446727 1275834784 /nfs/dbraw/zinc/83/47/84/1275834784.db2.gz FIDJPKCLFWTYMV-DVOMOZLQSA-N 2 1 372.477 0.639 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447760 1275840980 /nfs/dbraw/zinc/84/09/80/1275840980.db2.gz VVIMISMRTFBYGJ-VNHYZAJKSA-N 2 1 372.477 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447464 1275842306 /nfs/dbraw/zinc/84/23/06/1275842306.db2.gz SNNZSBQAJNSRPF-VNHYZAJKSA-N 2 1 372.477 0.933 20 0 FCADMP C[N@@H+](CCCNC(=O)NCc1cn(C2C[NH2+]C2)nn1)Cc1ccccc1 ZINC001578468134 1275880619 /nfs/dbraw/zinc/88/06/19/1275880619.db2.gz GXWFSJZFFNYLRH-UHFFFAOYSA-N 2 1 357.462 0.744 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCC[NH3+] ZINC001578471828 1275884861 /nfs/dbraw/zinc/88/48/61/1275884861.db2.gz OFPSQIMARYQTMM-UHFFFAOYSA-N 2 1 374.493 0.631 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCC[NH3+] ZINC001578471828 1275884872 /nfs/dbraw/zinc/88/48/72/1275884872.db2.gz OFPSQIMARYQTMM-UHFFFAOYSA-N 2 1 374.493 0.631 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578525605 1275957577 /nfs/dbraw/zinc/95/75/77/1275957577.db2.gz JPXSKZXRQJEQEA-RDTXWAMCSA-N 2 1 357.462 0.192 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528125 1275960148 /nfs/dbraw/zinc/96/01/48/1275960148.db2.gz DMMSFJAQQXPOMV-ROUUACIJSA-N 2 1 356.470 0.638 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529658 1275961906 /nfs/dbraw/zinc/96/19/06/1275961906.db2.gz WXJRTFUKHRZWRR-GJZGRUSLSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)Cc1nc(C[N@@H+]2C[C@H]3C[C@H]([NH3+])C[C@@]3(C(=O)OC)C2)cs1 ZINC001578558140 1275984545 /nfs/dbraw/zinc/98/45/45/1275984545.db2.gz CETKXANILNRJMD-OHUAYANFSA-N 2 1 352.460 0.144 20 0 FCADMP CNC(=O)Cc1nc(C[N@H+]2C[C@H]3C[C@H]([NH3+])C[C@@]3(C(=O)OC)C2)cs1 ZINC001578558140 1275984548 /nfs/dbraw/zinc/98/45/48/1275984548.db2.gz CETKXANILNRJMD-OHUAYANFSA-N 2 1 352.460 0.144 20 0 FCADMP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001578578150 1276011763 /nfs/dbraw/zinc/01/17/63/1276011763.db2.gz DGXJJFBRTUKICC-BARDWOONSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc[nH+]c2C)C1 ZINC001578613397 1276050578 /nfs/dbraw/zinc/05/05/78/1276050578.db2.gz YKNXBEYRXOYNIM-KBPBESRZSA-N 2 1 358.450 0.232 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)C1 ZINC001578669918 1276123723 /nfs/dbraw/zinc/12/37/23/1276123723.db2.gz UJYCLHRSBOZUNA-GJZGRUSLSA-N 2 1 363.510 0.615 20 0 FCADMP C[NH2+]CCCNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001578686711 1276142597 /nfs/dbraw/zinc/14/25/97/1276142597.db2.gz CHZLJIBCUKNKCR-UHFFFAOYSA-N 2 1 357.499 0.838 20 0 FCADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001578787148 1276267426 /nfs/dbraw/zinc/26/74/26/1276267426.db2.gz AFBZUIFZVXMTAO-HZPDHXFCSA-N 2 1 352.479 0.609 20 0 FCADMP COC[C@]1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]CCO1 ZINC001578975861 1276526069 /nfs/dbraw/zinc/52/60/69/1276526069.db2.gz WSJAFOCIWGKOFA-QAPCUYQASA-N 2 1 351.447 0.928 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578977070 1276531962 /nfs/dbraw/zinc/53/19/62/1276531962.db2.gz JHGXRZGTDMUNOA-UHFFFAOYSA-N 2 1 357.462 0.853 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578979106 1276539189 /nfs/dbraw/zinc/53/91/89/1276539189.db2.gz VRVUAGIKGMXCJW-AWEZNQCLSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578979106 1276539190 /nfs/dbraw/zinc/53/91/90/1276539190.db2.gz VRVUAGIKGMXCJW-AWEZNQCLSA-N 2 1 361.425 0.648 20 0 FCADMP C[N@@H+](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001579007231 1276578962 /nfs/dbraw/zinc/57/89/62/1276578962.db2.gz QCONNPFDVUWDKD-CQSZACIVSA-N 2 1 370.461 0.571 20 0 FCADMP COCCCn1c([C@H]2CCC[NH2+]C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001579019517 1276597233 /nfs/dbraw/zinc/59/72/33/1276597233.db2.gz UOCUYVVHBAWLQP-INIZCTEOSA-N 2 1 366.510 0.550 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC001579020673 1276599727 /nfs/dbraw/zinc/59/97/27/1276599727.db2.gz HNHOKXLFNHWHAV-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C[NH3+])C1 ZINC001579022229 1276601046 /nfs/dbraw/zinc/60/10/46/1276601046.db2.gz USCROJRZWLPDLO-OAHLLOKOSA-N 2 1 361.494 0.647 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037169 1276620332 /nfs/dbraw/zinc/62/03/32/1276620332.db2.gz IRELVHVIISYJGC-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H](C)OC)CC1 ZINC001579037073 1276620733 /nfs/dbraw/zinc/62/07/33/1276620733.db2.gz DVMZBERWQGLLFM-GJZGRUSLSA-N 2 1 352.483 0.506 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2ccn(C)n2)CC1 ZINC001579037375 1276621584 /nfs/dbraw/zinc/62/15/84/1276621584.db2.gz NOUUSSNJICRUAT-GASCZTMLSA-N 2 1 374.493 0.033 20 0 FCADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH3+])CC1 ZINC001579038178 1276623059 /nfs/dbraw/zinc/62/30/59/1276623059.db2.gz CKSFPDAXGHRCRO-UHFFFAOYSA-N 2 1 360.462 0.681 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCC[NH3+])C[C@@H]1C ZINC001579039094 1276624091 /nfs/dbraw/zinc/62/40/91/1276624091.db2.gz QXWVXNNAYIOLEJ-INIZCTEOSA-N 2 1 373.505 0.770 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001579120485 1276793447 /nfs/dbraw/zinc/79/34/47/1276793447.db2.gz FUESTKDREOTVRB-WNRNVDISSA-N 2 1 362.474 0.155 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579131557 1276822214 /nfs/dbraw/zinc/82/22/14/1276822214.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579131557 1276822232 /nfs/dbraw/zinc/82/22/32/1276822232.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579131557 1276822247 /nfs/dbraw/zinc/82/22/47/1276822247.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001579133404 1276830102 /nfs/dbraw/zinc/83/01/02/1276830102.db2.gz XZKPOCLQASANKF-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169140 1276920314 /nfs/dbraw/zinc/92/03/14/1276920314.db2.gz MJKOBUPJDXZMIE-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169140 1276920319 /nfs/dbraw/zinc/92/03/19/1276920319.db2.gz MJKOBUPJDXZMIE-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169140 1276920322 /nfs/dbraw/zinc/92/03/22/1276920322.db2.gz MJKOBUPJDXZMIE-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170011 1276923792 /nfs/dbraw/zinc/92/37/92/1276923792.db2.gz WUOMOQZJGDTMQO-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170011 1276923798 /nfs/dbraw/zinc/92/37/98/1276923798.db2.gz WUOMOQZJGDTMQO-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579170011 1276923804 /nfs/dbraw/zinc/92/38/04/1276923804.db2.gz WUOMOQZJGDTMQO-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001579215159 1277010743 /nfs/dbraw/zinc/01/07/43/1277010743.db2.gz ZITJKTYWJYZGRC-ZDUSSCGKSA-N 2 1 358.450 0.428 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326305 1277148716 /nfs/dbraw/zinc/14/87/16/1277148716.db2.gz JJNHDTSKYOEIHN-OLZOCXBDSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579326598 1277149953 /nfs/dbraw/zinc/14/99/53/1277149953.db2.gz KTYLOENEQNQVRD-GFCCVEGCSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326823 1277151655 /nfs/dbraw/zinc/15/16/55/1277151655.db2.gz MUYAKKOZHLDLQR-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCC2)C1 ZINC001579331280 1277159792 /nfs/dbraw/zinc/15/97/92/1277159792.db2.gz BVRBSOPQOXGINP-HNNXBMFYSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331359 1277160191 /nfs/dbraw/zinc/16/01/91/1277160191.db2.gz AUXZVINJRJZYOI-SJORKVTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331242 1277160357 /nfs/dbraw/zinc/16/03/57/1277160357.db2.gz BNQKZXQVIIYDGW-CYBMUJFWSA-N 2 1 373.436 0.696 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331793 1277161478 /nfs/dbraw/zinc/16/14/78/1277161478.db2.gz FQWMVIYYTTVQIC-IAGOWNOFSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579331693 1277162924 /nfs/dbraw/zinc/16/29/24/1277162924.db2.gz GPYIXTPUKBFDOS-SJORKVTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)C1 ZINC001579331886 1277163752 /nfs/dbraw/zinc/16/37/52/1277163752.db2.gz IIAISSVLUMRNNY-MRXNPFEDSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333191 1277165201 /nfs/dbraw/zinc/16/52/01/1277165201.db2.gz OTQLCWRINTWVIA-WFASDCNBSA-N 2 1 372.477 0.578 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332882 1277165869 /nfs/dbraw/zinc/16/58/69/1277165869.db2.gz MHUWIEOKDYMLJH-LPHOPBHVSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332882 1277165872 /nfs/dbraw/zinc/16/58/72/1277165872.db2.gz MHUWIEOKDYMLJH-LPHOPBHVSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332882 1277165874 /nfs/dbraw/zinc/16/58/74/1277165874.db2.gz MHUWIEOKDYMLJH-LPHOPBHVSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579332533 1277166220 /nfs/dbraw/zinc/16/62/20/1277166220.db2.gz LEUSXEJROZNMDY-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333735 1277168939 /nfs/dbraw/zinc/16/89/39/1277168939.db2.gz SNJAXOHZDYTLDV-IRXDYDNUSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333860 1277169244 /nfs/dbraw/zinc/16/92/44/1277169244.db2.gz SNAVQMYJUXHRFK-QFBILLFUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333860 1277169246 /nfs/dbraw/zinc/16/92/46/1277169246.db2.gz SNAVQMYJUXHRFK-QFBILLFUSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333860 1277169248 /nfs/dbraw/zinc/16/92/48/1277169248.db2.gz SNAVQMYJUXHRFK-QFBILLFUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334436 1277170743 /nfs/dbraw/zinc/17/07/43/1277170743.db2.gz FCIMPIQZVAAFDV-HSWBROFVSA-N 2 1 373.436 0.720 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579334854 1277172993 /nfs/dbraw/zinc/17/29/93/1277172993.db2.gz IGHAJYDNDSUMMQ-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334867 1277173155 /nfs/dbraw/zinc/17/31/55/1277173155.db2.gz IPEQPHFNXHCFGC-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334867 1277173157 /nfs/dbraw/zinc/17/31/57/1277173157.db2.gz IPEQPHFNXHCFGC-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334867 1277173159 /nfs/dbraw/zinc/17/31/59/1277173159.db2.gz IPEQPHFNXHCFGC-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334867 1277173160 /nfs/dbraw/zinc/17/31/60/1277173160.db2.gz IPEQPHFNXHCFGC-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579335248 1277173375 /nfs/dbraw/zinc/17/33/75/1277173375.db2.gz PDKPSQCXSPXXRF-CYBMUJFWSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579335248 1277173377 /nfs/dbraw/zinc/17/33/77/1277173377.db2.gz PDKPSQCXSPXXRF-CYBMUJFWSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335583 1277176092 /nfs/dbraw/zinc/17/60/92/1277176092.db2.gz SDIBVISSTOWALA-LBPRGKRZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335583 1277176120 /nfs/dbraw/zinc/17/61/20/1277176120.db2.gz SDIBVISSTOWALA-LBPRGKRZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336165 1277179672 /nfs/dbraw/zinc/17/96/72/1277179672.db2.gz ZNGOPNWZGJTNFP-OLZOCXBDSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336165 1277179675 /nfs/dbraw/zinc/17/96/75/1277179675.db2.gz ZNGOPNWZGJTNFP-OLZOCXBDSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001579343673 1277192950 /nfs/dbraw/zinc/19/29/50/1277192950.db2.gz BCLDXWZZUPNYQI-ZDUSSCGKSA-N 2 1 370.461 0.476 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344921 1277197071 /nfs/dbraw/zinc/19/70/71/1277197071.db2.gz ILBULZXBOSCWBZ-UONOGXRCSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344921 1277197073 /nfs/dbraw/zinc/19/70/73/1277197073.db2.gz ILBULZXBOSCWBZ-UONOGXRCSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347960 1277203948 /nfs/dbraw/zinc/20/39/48/1277203948.db2.gz RHLWNXPBLYSYNB-CHWSQXEVSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347960 1277203950 /nfs/dbraw/zinc/20/39/50/1277203950.db2.gz RHLWNXPBLYSYNB-CHWSQXEVSA-N 2 1 356.434 0.298 20 0 FCADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353366 1277211033 /nfs/dbraw/zinc/21/10/33/1277211033.db2.gz JYUSAIXKSPTXBK-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353366 1277211035 /nfs/dbraw/zinc/21/10/35/1277211035.db2.gz JYUSAIXKSPTXBK-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353366 1277211036 /nfs/dbraw/zinc/21/10/36/1277211036.db2.gz JYUSAIXKSPTXBK-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579356888 1277222667 /nfs/dbraw/zinc/22/26/67/1277222667.db2.gz PFPJVUHGEYTNIC-PREGVCBESA-N 2 1 369.473 0.945 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358585 1277227114 /nfs/dbraw/zinc/22/71/14/1277227114.db2.gz GNPABRGBHCBSPS-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579358585 1277227119 /nfs/dbraw/zinc/22/71/19/1277227119.db2.gz GNPABRGBHCBSPS-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359583 1277233291 /nfs/dbraw/zinc/23/32/91/1277233291.db2.gz XXRDTLXPRRGNJT-BDVYOWHSSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359770 1277233428 /nfs/dbraw/zinc/23/34/28/1277233428.db2.gz CQXSQAXIGGOKSB-ZENOOKHLSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359762 1277233625 /nfs/dbraw/zinc/23/36/25/1277233625.db2.gz CLJYCNYBGWTZIX-UONOGXRCSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361429 1277238042 /nfs/dbraw/zinc/23/80/42/1277238042.db2.gz KVNLVZZJJKFKGG-IHRRRGAJSA-N 2 1 370.461 0.617 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579370130 1277253103 /nfs/dbraw/zinc/25/31/03/1277253103.db2.gz VCIBAHNKDABPRF-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381365 1277257511 /nfs/dbraw/zinc/25/75/11/1277257511.db2.gz WFRDMXQIFUXUNL-QLFBSQMISA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381365 1277257516 /nfs/dbraw/zinc/25/75/16/1277257516.db2.gz WFRDMXQIFUXUNL-QLFBSQMISA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001579381365 1277257536 /nfs/dbraw/zinc/25/75/36/1277257536.db2.gz WFRDMXQIFUXUNL-QLFBSQMISA-N 2 1 358.446 0.490 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001579407394 1277288696 /nfs/dbraw/zinc/28/86/96/1277288696.db2.gz VPQIKQWCRUQNGJ-PMPSAXMXSA-N 2 1 364.494 0.288 20 0 FCADMP C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCOCC2)CC[NH2+]1 ZINC001579489620 1277402165 /nfs/dbraw/zinc/40/21/65/1277402165.db2.gz OJKKGNMPKQCPLW-HNNXBMFYSA-N 2 1 372.477 0.256 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC3(O)C[NH2+]C3)CC2)oc1C ZINC001579857668 1277937878 /nfs/dbraw/zinc/93/78/78/1277937878.db2.gz MVHLSKSRDOGMCD-UHFFFAOYSA-N 2 1 351.451 0.137 20 0 FCADMP [NH3+]CC(F)(F)Cn1c(C2CC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001580223231 1278045761 /nfs/dbraw/zinc/04/57/61/1278045761.db2.gz VTRNAKJZCIPOKB-ZDUSSCGKSA-N 2 1 370.448 0.908 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580270741 1278064459 /nfs/dbraw/zinc/06/44/59/1278064459.db2.gz WIIZFUIKMWHGDD-AAEUAGOBSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)c1nccs1 ZINC001714391835 1287321145 /nfs/dbraw/zinc/32/11/45/1287321145.db2.gz WWQVXGFYSIKWCN-BFHYXJOUSA-N 2 1 367.519 0.788 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC[NH+]1CCOCC1 ZINC001580272578 1278065901 /nfs/dbraw/zinc/06/59/01/1278065901.db2.gz FEDLVXBEWJNZEN-AWEZNQCLSA-N 2 1 373.461 0.183 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580277359 1278071455 /nfs/dbraw/zinc/07/14/55/1278071455.db2.gz XLBJDTQAAFWBFH-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001580278782 1278074955 /nfs/dbraw/zinc/07/49/55/1278074955.db2.gz GFYZMMFGWNUXNX-ZDUSSCGKSA-N 2 1 357.462 0.945 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940501 1279147953 /nfs/dbraw/zinc/14/79/53/1279147953.db2.gz AIVSVAPSDWDLNG-GXTWGEPZSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956709 1279160027 /nfs/dbraw/zinc/16/00/27/1279160027.db2.gz MOVOOUAOCGZNMS-KGLIPLIRSA-N 2 1 370.461 0.464 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962420 1279166263 /nfs/dbraw/zinc/16/62/63/1279166263.db2.gz URBJYHXKAUEPGW-OCCSQVGLSA-N 2 1 356.434 0.359 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962489 1279167684 /nfs/dbraw/zinc/16/76/84/1279167684.db2.gz WBWODQBODMSVGE-QWHCGFSZSA-N 2 1 356.434 0.217 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991417 1279194815 /nfs/dbraw/zinc/19/48/15/1279194815.db2.gz OQFWJEJYACMHCU-STQMWFEESA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993794 1279199590 /nfs/dbraw/zinc/19/95/90/1279199590.db2.gz NKEAVWLMCKSSOZ-INIZCTEOSA-N 2 1 374.493 0.885 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994992 1279202763 /nfs/dbraw/zinc/20/27/63/1279202763.db2.gz VFQDDMYGEIQGSK-CJNGLKHVSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996046 1279207192 /nfs/dbraw/zinc/20/71/92/1279207192.db2.gz UTWISCJJGUMQPQ-OLZOCXBDSA-N 2 1 358.450 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001714705347 1287332377 /nfs/dbraw/zinc/33/23/77/1287332377.db2.gz FAFNXIIMOVKPSH-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010114 1279236148 /nfs/dbraw/zinc/23/61/48/1279236148.db2.gz FEUOQLANQAPAFB-CHWSQXEVSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011414 1279237893 /nfs/dbraw/zinc/23/78/93/1279237893.db2.gz JZUQEYZTUJLJFU-IUODEOHRSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023989 1279255129 /nfs/dbraw/zinc/25/51/29/1279255129.db2.gz YMTJFUIEPRKURD-AWEZNQCLSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023962 1279255153 /nfs/dbraw/zinc/25/51/53/1279255153.db2.gz XUDKDOTWSNDUEP-UONOGXRCSA-N 2 1 370.461 0.204 20 0 FCADMP Cc1cc(NCCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027847 1279262354 /nfs/dbraw/zinc/26/23/54/1279262354.db2.gz YXQCKMKPRPNPFS-MRXNPFEDSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028389 1279263855 /nfs/dbraw/zinc/26/38/55/1279263855.db2.gz UINDWDXWHSFNEW-GFCCVEGCSA-N 2 1 358.450 0.204 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581029910 1279266891 /nfs/dbraw/zinc/26/68/91/1279266891.db2.gz DKTPFSUHMTWBEI-ZIAGYGMSSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038166 1279275103 /nfs/dbraw/zinc/27/51/03/1279275103.db2.gz FTJHFZKVLAEBNJ-FPMFFAJLSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001715230008 1287347014 /nfs/dbraw/zinc/34/70/14/1287347014.db2.gz LPWNVXCLEJQAAU-MRVWCRGKSA-N 2 1 351.451 0.604 20 0 FCADMP CCCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001715313473 1287349955 /nfs/dbraw/zinc/34/99/55/1287349955.db2.gz FOMWIXVYXGANLI-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001715313473 1287349964 /nfs/dbraw/zinc/34/99/64/1287349964.db2.gz FOMWIXVYXGANLI-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581337984 1279715785 /nfs/dbraw/zinc/71/57/85/1279715785.db2.gz QFDCCPNVECUFEP-OAHLLOKOSA-N 2 1 366.429 0.762 20 0 FCADMP COCc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001716087385 1287370180 /nfs/dbraw/zinc/37/01/80/1287370180.db2.gz FQHIUGDQCJDDON-MRVWCRGKSA-N 2 1 356.492 0.196 20 0 FCADMP COCc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001716087385 1287370182 /nfs/dbraw/zinc/37/01/82/1287370182.db2.gz FQHIUGDQCJDDON-MRVWCRGKSA-N 2 1 356.492 0.196 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581564091 1280140681 /nfs/dbraw/zinc/14/06/81/1280140681.db2.gz VGWLIFKONSYRNT-CYBMUJFWSA-N 2 1 368.445 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC3CCC3)CCC2)CC[N@H+]1C ZINC001717151391 1287409245 /nfs/dbraw/zinc/40/92/45/1287409245.db2.gz MBMNXQAKHAFGEE-GDBMZVCRSA-N 2 1 350.507 0.871 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC1=O ZINC001631800976 1282115191 /nfs/dbraw/zinc/11/51/91/1282115191.db2.gz GOISQTDTKVWHOS-OWSLCNJRSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1=O ZINC001631800976 1282115206 /nfs/dbraw/zinc/11/52/06/1282115206.db2.gz GOISQTDTKVWHOS-OWSLCNJRSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1=O ZINC001631800976 1282115221 /nfs/dbraw/zinc/11/52/21/1282115221.db2.gz GOISQTDTKVWHOS-OWSLCNJRSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001631849940 1282124422 /nfs/dbraw/zinc/12/44/22/1282124422.db2.gz FKZYYCIGHFRMMX-OAHLLOKOSA-N 2 1 352.479 0.404 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001631849940 1282124451 /nfs/dbraw/zinc/12/44/51/1282124451.db2.gz FKZYYCIGHFRMMX-OAHLLOKOSA-N 2 1 352.479 0.404 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[C@@H]1[NH3+] ZINC001604107697 1287570454 /nfs/dbraw/zinc/57/04/54/1287570454.db2.gz JDMAVRXAGHXTNJ-XFBWCDHKSA-N 2 1 355.446 0.639 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@@H]1C[NH3+] ZINC001590264035 1283387800 /nfs/dbraw/zinc/38/78/00/1283387800.db2.gz PTKNZDMVNOKSFG-WPGHFRTFSA-N 2 1 355.446 0.497 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270631 1283394778 /nfs/dbraw/zinc/39/47/78/1283394778.db2.gz DXNKJPAGCUKHGD-CYBMUJFWSA-N 2 1 358.450 0.546 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683026884 1283841240 /nfs/dbraw/zinc/84/12/40/1283841240.db2.gz IEPHXKWXDAIHSM-KRWDZBQOSA-N 2 1 368.522 0.897 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683026884 1283841248 /nfs/dbraw/zinc/84/12/48/1283841248.db2.gz IEPHXKWXDAIHSM-KRWDZBQOSA-N 2 1 368.522 0.897 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001683250143 1283911266 /nfs/dbraw/zinc/91/12/66/1283911266.db2.gz DCSCEKIUMSFUCF-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001683250143 1283911268 /nfs/dbraw/zinc/91/12/68/1283911268.db2.gz DCSCEKIUMSFUCF-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001683250143 1283911273 /nfs/dbraw/zinc/91/12/73/1283911273.db2.gz DCSCEKIUMSFUCF-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP C[N@@H+](CC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001591038635 1284100321 /nfs/dbraw/zinc/10/03/21/1284100321.db2.gz HJWXRVPIZNRUAD-AATRIKPKSA-N 2 1 372.477 0.746 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1cccc(-c2nn[nH]n2)c1 ZINC001591061948 1284123407 /nfs/dbraw/zinc/12/34/07/1284123407.db2.gz LJJXBRLLKARDNB-UHFFFAOYSA-N 2 1 357.462 0.505 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1cccc(-c2nn[nH]n2)c1 ZINC001591061948 1284123411 /nfs/dbraw/zinc/12/34/11/1284123411.db2.gz LJJXBRLLKARDNB-UHFFFAOYSA-N 2 1 357.462 0.505 20 0 FCADMP C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071264 1284130738 /nfs/dbraw/zinc/13/07/38/1284130738.db2.gz TWKRYEDLEALRNT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071264 1284130741 /nfs/dbraw/zinc/13/07/41/1284130741.db2.gz TWKRYEDLEALRNT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071264 1284130746 /nfs/dbraw/zinc/13/07/46/1284130746.db2.gz TWKRYEDLEALRNT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071264 1284130748 /nfs/dbraw/zinc/13/07/48/1284130748.db2.gz TWKRYEDLEALRNT-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071153 1284131060 /nfs/dbraw/zinc/13/10/60/1284131060.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071153 1284131068 /nfs/dbraw/zinc/13/10/68/1284131068.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071153 1284131077 /nfs/dbraw/zinc/13/10/77/1284131077.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070892 1284131282 /nfs/dbraw/zinc/13/12/82/1284131282.db2.gz GXDRYHVXXIBVHS-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070892 1284131288 /nfs/dbraw/zinc/13/12/88/1284131288.db2.gz GXDRYHVXXIBVHS-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070892 1284131293 /nfs/dbraw/zinc/13/12/93/1284131293.db2.gz GXDRYHVXXIBVHS-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172506 1284254645 /nfs/dbraw/zinc/25/46/45/1284254645.db2.gz VSKGQOSECJRCIV-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172506 1284254651 /nfs/dbraw/zinc/25/46/51/1284254651.db2.gz VSKGQOSECJRCIV-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172506 1284254662 /nfs/dbraw/zinc/25/46/62/1284254662.db2.gz VSKGQOSECJRCIV-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001591173511 1284259698 /nfs/dbraw/zinc/25/96/98/1284259698.db2.gz XQDHAAJWPPWIJY-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173349 1284260111 /nfs/dbraw/zinc/26/01/11/1284260111.db2.gz SHPVENWTUBDCRZ-SWLSCSKDSA-N 2 1 370.461 0.284 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591176538 1284268419 /nfs/dbraw/zinc/26/84/19/1284268419.db2.gz QMTAGNBTQACVSO-ZDUSSCGKSA-N 2 1 361.425 0.553 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591186271 1284296321 /nfs/dbraw/zinc/29/63/21/1284296321.db2.gz OZIDRZSYMJNXLF-INIZCTEOSA-N 2 1 357.462 0.947 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187317 1284298428 /nfs/dbraw/zinc/29/84/28/1284298428.db2.gz NCQSRDGGNGRSGY-WOMSROEHSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591187367 1284299502 /nfs/dbraw/zinc/29/95/02/1284299502.db2.gz RJIFBSIHVQMAKY-AWFCHZOYSA-N 2 1 355.446 0.723 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001591561693 1284735537 /nfs/dbraw/zinc/73/55/37/1284735537.db2.gz MDYTYIASBJLXSX-AWEZNQCLSA-N 2 1 359.434 0.175 20 0 FCADMP COc1ccc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)cc1-c1nn[nH]n1 ZINC001591599423 1284762029 /nfs/dbraw/zinc/76/20/29/1284762029.db2.gz JBXDUOKQNRAATC-UHFFFAOYSA-N 2 1 373.461 0.565 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001719104965 1287740370 /nfs/dbraw/zinc/74/03/70/1287740370.db2.gz WHPXEOFLRCLUKG-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996266 1285048800 /nfs/dbraw/zinc/04/88/00/1285048800.db2.gz BKZPQBBJENUTFJ-ZIAGYGMSSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(NCCNC(=O)C[N@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049436 1285094275 /nfs/dbraw/zinc/09/42/75/1285094275.db2.gz UTBOZSIQVJNKRH-UHFFFAOYSA-N 2 1 360.466 0.498 20 0 FCADMP [NH3+]C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C1CCCC1 ZINC001592740692 1285659413 /nfs/dbraw/zinc/65/94/13/1285659413.db2.gz IYGCEAUCOUVFNQ-JKSUJKDBSA-N 2 1 355.446 0.687 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001592747613 1285667993 /nfs/dbraw/zinc/66/79/93/1285667993.db2.gz VNSSTFYZQJCCFF-DEYYWGMASA-N 2 1 358.446 0.667 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592842907 1285751284 /nfs/dbraw/zinc/75/12/84/1285751284.db2.gz FXXMSXMTBNQVQR-UHFFFAOYSA-N 2 1 373.461 0.185 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994645 1285877789 /nfs/dbraw/zinc/87/77/89/1285877789.db2.gz FELFOEZQMRMMDJ-CVEARBPZSA-N 2 1 367.457 0.844 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001735945025 1289067093 /nfs/dbraw/zinc/06/70/93/1289067093.db2.gz JLJFNZPISFSVGZ-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001735945025 1289067098 /nfs/dbraw/zinc/06/70/98/1289067098.db2.gz JLJFNZPISFSVGZ-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001735945025 1289067102 /nfs/dbraw/zinc/06/71/02/1289067102.db2.gz JLJFNZPISFSVGZ-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001609326505 1289098606 /nfs/dbraw/zinc/09/86/06/1289098606.db2.gz SPEQXFPWCCNCCC-UHFFFAOYSA-N 2 1 373.461 0.896 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001604860394 1287801536 /nfs/dbraw/zinc/80/15/36/1287801536.db2.gz KAGKJCKZWUSQAM-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001604860394 1287801538 /nfs/dbraw/zinc/80/15/38/1287801538.db2.gz KAGKJCKZWUSQAM-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2O)CCC1 ZINC001719281895 1288017210 /nfs/dbraw/zinc/01/72/10/1288017210.db2.gz IUINGAXASHSBMO-CABCVRRESA-N 2 1 368.522 0.137 20 0 FCADMP Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605738107 1288068842 /nfs/dbraw/zinc/06/88/42/1288068842.db2.gz HWAMPWQRCGTNHR-XJKCOSOUSA-N 2 1 370.461 0.393 20 0 FCADMP [NH3+][C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001606436336 1288316956 /nfs/dbraw/zinc/31/69/56/1288316956.db2.gz YFEPCGQCGJUZAZ-SJORKVTESA-N 2 1 363.425 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3cnccn3)CCC2)CC[N@H+]1C ZINC001724787293 1288449072 /nfs/dbraw/zinc/44/90/72/1288449072.db2.gz WPARAYGHFSIILO-ZIAGYGMSSA-N 2 1 360.462 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001724851595 1288452529 /nfs/dbraw/zinc/45/25/29/1288452529.db2.gz NJIVTRPMQZOGDG-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)C[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001724851595 1288452532 /nfs/dbraw/zinc/45/25/32/1288452532.db2.gz NJIVTRPMQZOGDG-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001724851595 1288452534 /nfs/dbraw/zinc/45/25/34/1288452534.db2.gz NJIVTRPMQZOGDG-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606763731 1288497362 /nfs/dbraw/zinc/49/73/62/1288497362.db2.gz KHZSBRKKIXSMKX-HOCLYGCPSA-N 2 1 355.446 0.702 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606777595 1288508428 /nfs/dbraw/zinc/50/84/28/1288508428.db2.gz KGBMVIBVDZYRGR-MRXNPFEDSA-N 2 1 355.446 0.656 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001731367453 1288554452 /nfs/dbraw/zinc/55/44/52/1288554452.db2.gz HUZXNNMPIMVRDY-MOPGFXCFSA-N 2 1 360.502 0.058 20 0 FCADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC001607098534 1288661802 /nfs/dbraw/zinc/66/18/02/1288661802.db2.gz ZASZPCVHKTZWAF-MRXNPFEDSA-N 2 1 358.446 0.823 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734784954 1288676107 /nfs/dbraw/zinc/67/61/07/1288676107.db2.gz ARQYFIBJWHUTOV-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734784954 1288676113 /nfs/dbraw/zinc/67/61/13/1288676113.db2.gz ARQYFIBJWHUTOV-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001691934835 1289345679 /nfs/dbraw/zinc/34/56/79/1289345679.db2.gz FKPJFWNCTFKTKM-LSDHHAIUSA-N 2 1 364.494 0.525 20 0 FCADMP CC[C@H](F)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001692130730 1289402517 /nfs/dbraw/zinc/40/25/17/1289402517.db2.gz QVRJOERJEITJOK-MBNYWOFBSA-N 2 1 353.442 0.976 20 0 FCADMP CC[C@H](F)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001692130730 1289402522 /nfs/dbraw/zinc/40/25/22/1289402522.db2.gz QVRJOERJEITJOK-MBNYWOFBSA-N 2 1 353.442 0.976 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001692216442 1289430123 /nfs/dbraw/zinc/43/01/23/1289430123.db2.gz CBNIXPFUKQROFX-ZBFHGGJFSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001692216442 1289430129 /nfs/dbraw/zinc/43/01/29/1289430129.db2.gz CBNIXPFUKQROFX-ZBFHGGJFSA-N 2 1 368.522 0.591 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C)C1CC1 ZINC001692361738 1289451746 /nfs/dbraw/zinc/45/17/46/1289451746.db2.gz SQBAFPHHMXNTQW-JLSDUUJJSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C)C1CC1 ZINC001692361738 1289451749 /nfs/dbraw/zinc/45/17/49/1289451749.db2.gz SQBAFPHHMXNTQW-JLSDUUJJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368120 1289454826 /nfs/dbraw/zinc/45/48/26/1289454826.db2.gz INVQPWSTEIEJGW-CPUCHLNUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368120 1289454830 /nfs/dbraw/zinc/45/48/30/1289454830.db2.gz INVQPWSTEIEJGW-CPUCHLNUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368120 1289454834 /nfs/dbraw/zinc/45/48/34/1289454834.db2.gz INVQPWSTEIEJGW-CPUCHLNUSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C)C1CC1 ZINC001692368120 1289454838 /nfs/dbraw/zinc/45/48/38/1289454838.db2.gz INVQPWSTEIEJGW-CPUCHLNUSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc(N(C)C)no1 ZINC001698959760 1289539376 /nfs/dbraw/zinc/53/93/76/1289539376.db2.gz CSUCVNIOCXFKPM-MCIONIFRSA-N 2 1 352.483 0.706 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nc(N(C)C)no1 ZINC001698959760 1289539381 /nfs/dbraw/zinc/53/93/81/1289539381.db2.gz CSUCVNIOCXFKPM-MCIONIFRSA-N 2 1 352.483 0.706 20 0 FCADMP C[C@@H](CC[NH2+]Cc1ncnn1CC(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699101140 1289545871 /nfs/dbraw/zinc/54/58/71/1289545871.db2.gz BRTIAOQXPASDBB-YNEHKIRRSA-N 2 1 358.437 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1C ZINC001699261868 1289547118 /nfs/dbraw/zinc/54/71/18/1289547118.db2.gz SLKZYZZYKPURKS-ZPPHWLAZSA-N 2 1 350.507 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001699876527 1289568431 /nfs/dbraw/zinc/56/84/31/1289568431.db2.gz ZSVNUJPHZIMRIR-INMHGKMJSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001699876527 1289568440 /nfs/dbraw/zinc/56/84/40/1289568440.db2.gz ZSVNUJPHZIMRIR-INMHGKMJSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001699876527 1289568452 /nfs/dbraw/zinc/56/84/52/1289568452.db2.gz ZSVNUJPHZIMRIR-INMHGKMJSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001699876527 1289568458 /nfs/dbraw/zinc/56/84/58/1289568458.db2.gz ZSVNUJPHZIMRIR-INMHGKMJSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001699898546 1289573875 /nfs/dbraw/zinc/57/38/75/1289573875.db2.gz OLMPFRCYBFJXDT-SIIHOXLZSA-N 2 1 365.478 0.204 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699898546 1289573881 /nfs/dbraw/zinc/57/38/81/1289573881.db2.gz OLMPFRCYBFJXDT-SIIHOXLZSA-N 2 1 365.478 0.204 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699898546 1289573886 /nfs/dbraw/zinc/57/38/86/1289573886.db2.gz OLMPFRCYBFJXDT-SIIHOXLZSA-N 2 1 365.478 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC2CC2)C3)CC[N@@H+]1C ZINC001700619623 1289599697 /nfs/dbraw/zinc/59/96/97/1289599697.db2.gz NGKVUHCWRUWFSO-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC2CC2)C3)CC[N@H+]1C ZINC001700619623 1289599705 /nfs/dbraw/zinc/59/97/05/1289599705.db2.gz NGKVUHCWRUWFSO-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC2CC2)C3)CC[NH+]1C ZINC001700619623 1289599713 /nfs/dbraw/zinc/59/97/13/1289599713.db2.gz NGKVUHCWRUWFSO-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC2CC2)C3)CC[NH+]1C ZINC001700619623 1289599722 /nfs/dbraw/zinc/59/97/22/1289599722.db2.gz NGKVUHCWRUWFSO-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCCC2)CC[N@H+]1C ZINC001738169594 1289636661 /nfs/dbraw/zinc/63/66/61/1289636661.db2.gz VPSCYHDDMMAHBK-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)CC[NH+]1C ZINC001738169594 1289636673 /nfs/dbraw/zinc/63/66/73/1289636673.db2.gz VPSCYHDDMMAHBK-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)CC[NH+]1C ZINC001738169594 1289636682 /nfs/dbraw/zinc/63/66/82/1289636682.db2.gz VPSCYHDDMMAHBK-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001738251071 1289648663 /nfs/dbraw/zinc/64/86/63/1289648663.db2.gz FCGXCXFPEUHDHR-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001702189107 1289819618 /nfs/dbraw/zinc/81/96/18/1289819618.db2.gz WXHKMBXUDLGFEH-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001739641757 1290284540 /nfs/dbraw/zinc/28/45/40/1290284540.db2.gz VJMVRBLNOVBCAQ-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001753154345 1290619779 /nfs/dbraw/zinc/61/97/79/1290619779.db2.gz DWXVGOMBVFXHRV-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001753154345 1290619790 /nfs/dbraw/zinc/61/97/90/1290619790.db2.gz DWXVGOMBVFXHRV-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC(=O)N2CCOCC2)C2CC2)CC[NH+]1C ZINC001753154345 1290619796 /nfs/dbraw/zinc/61/97/96/1290619796.db2.gz DWXVGOMBVFXHRV-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC(=O)N2CCOCC2)C2CC2)CC[NH+]1C ZINC001753154345 1290619802 /nfs/dbraw/zinc/61/98/02/1290619802.db2.gz DWXVGOMBVFXHRV-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001754864457 1290634591 /nfs/dbraw/zinc/63/45/91/1290634591.db2.gz BOJONYIPXMHOJD-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864457 1290634599 /nfs/dbraw/zinc/63/45/99/1290634599.db2.gz BOJONYIPXMHOJD-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864457 1290634606 /nfs/dbraw/zinc/63/46/06/1290634606.db2.gz BOJONYIPXMHOJD-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](O)C2CCCCC2)CC[N@H+]1C ZINC001754882490 1290635763 /nfs/dbraw/zinc/63/57/63/1290635763.db2.gz FTXHUIFXXUWRPZ-NXHRZFHOSA-N 2 1 355.523 0.678 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755177790 1290640926 /nfs/dbraw/zinc/64/09/26/1290640926.db2.gz BODHPUIYMASRGM-HZPDHXFCSA-N 2 1 368.522 0.042 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001755177790 1290640937 /nfs/dbraw/zinc/64/09/37/1290640937.db2.gz BODHPUIYMASRGM-HZPDHXFCSA-N 2 1 368.522 0.042 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001757229841 1290747360 /nfs/dbraw/zinc/74/73/60/1290747360.db2.gz OCEHVLXWQGHZRG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001757229841 1290747364 /nfs/dbraw/zinc/74/73/64/1290747364.db2.gz OCEHVLXWQGHZRG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001757229841 1290747367 /nfs/dbraw/zinc/74/73/67/1290747367.db2.gz OCEHVLXWQGHZRG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001757229841 1290747370 /nfs/dbraw/zinc/74/73/70/1290747370.db2.gz OCEHVLXWQGHZRG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001652176715 1291266420 /nfs/dbraw/zinc/26/64/20/1291266420.db2.gz IFWUQGVWAPAAAD-KRWDZBQOSA-N 2 1 359.536 0.845 20 0 FCADMP O=C(Cc1ccccc1)OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001653924149 1291381158 /nfs/dbraw/zinc/38/11/58/1291381158.db2.gz IXFHZJKYIKXKLI-UHFFFAOYSA-N 2 1 362.470 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001660822858 1291672559 /nfs/dbraw/zinc/67/25/59/1291672559.db2.gz QRVPSKLDODXUSF-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001664875869 1291820916 /nfs/dbraw/zinc/82/09/16/1291820916.db2.gz FZPBIBMYYSWDQO-NVXWUHKLSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001664875869 1291820921 /nfs/dbraw/zinc/82/09/21/1291820921.db2.gz FZPBIBMYYSWDQO-NVXWUHKLSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001664875869 1291820928 /nfs/dbraw/zinc/82/09/28/1291820928.db2.gz FZPBIBMYYSWDQO-NVXWUHKLSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001666287384 1291907667 /nfs/dbraw/zinc/90/76/67/1291907667.db2.gz VMUUENZHZLXTSQ-DUQPFJRNSA-N 2 1 363.506 0.601 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001689106536 1294619398 /nfs/dbraw/zinc/61/93/98/1294619398.db2.gz KFOSXPQDENMXQK-MCIONIFRSA-N 2 1 355.483 0.128 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cnc2C)CC[N@H+]1CCNC(=O)NC(C)C ZINC001689194044 1294661004 /nfs/dbraw/zinc/66/10/04/1294661004.db2.gz MSCZZTLHPDSTMC-GOEBONIOSA-N 2 1 364.494 0.937 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCOCC2CC2)[C@@H]1C ZINC001689336400 1294759640 /nfs/dbraw/zinc/75/96/40/1294759640.db2.gz MNASBHGYWZEFFB-JZXOWHBKSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001690338348 1294865203 /nfs/dbraw/zinc/86/52/03/1294865203.db2.gz TWWYZSCTLYKWQI-HDEZJCGLSA-N 2 1 362.474 0.863 20 0 FCADMP C1CCN(c2nc(N3CCN4CC[NH2+]C[C@H]4C3)nc(N3CCCC3)[nH+]2)C1 ZINC001164401897 718838789 /nfs/dbraw/zinc/83/87/89/718838789.db2.gz CJFYAHLRLWCQHI-HNNXBMFYSA-N 2 1 358.494 0.166 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1CC[NH2+]C2 ZINC001164681225 719625557 /nfs/dbraw/zinc/62/55/57/719625557.db2.gz DNEOUIXFYRSZGB-UHFFFAOYSA-N 3 1 370.505 0.558 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1CC[NH2+]C2 ZINC001164681225 719625563 /nfs/dbraw/zinc/62/55/63/719625563.db2.gz DNEOUIXFYRSZGB-UHFFFAOYSA-N 3 1 370.505 0.558 20 0 FCADMP c1ncc(O[C@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164744159 720730744 /nfs/dbraw/zinc/73/07/44/720730744.db2.gz RIGJFWRLKIUBIS-GJZGRUSLSA-N 2 1 353.430 0.254 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@H]3C2)cn1 ZINC001164767969 721249381 /nfs/dbraw/zinc/24/93/81/721249381.db2.gz XIROHAVXLXSWKK-DOTOQJQBSA-N 2 1 353.474 0.855 20 0 FCADMP c1csc(C[NH+]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164786675 721397454 /nfs/dbraw/zinc/39/74/54/721397454.db2.gz OTTUJTDZGNRYIM-HUUCEWRRSA-N 2 1 371.514 0.911 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164922954 721848188 /nfs/dbraw/zinc/84/81/88/721848188.db2.gz SPLPXLANMNVOFV-CABCVRRESA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164922954 721848190 /nfs/dbraw/zinc/84/81/90/721848190.db2.gz SPLPXLANMNVOFV-CABCVRRESA-N 2 1 350.898 0.990 20 0 FCADMP O=C(c1cccnc1N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC001165040212 721913344 /nfs/dbraw/zinc/91/33/44/721913344.db2.gz ZRSSQCKKKFNMJE-MRXNPFEDSA-N 2 1 359.474 0.428 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)O1 ZINC001066498463 837426392 /nfs/dbraw/zinc/42/63/92/837426392.db2.gz AXCLYZAWIIWKBT-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)O1 ZINC001066498463 837426397 /nfs/dbraw/zinc/42/63/97/837426397.db2.gz AXCLYZAWIIWKBT-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070158854 837628413 /nfs/dbraw/zinc/62/84/13/837628413.db2.gz WAHUDWLQHNMKLV-ILXRZTDVSA-N 2 1 361.475 0.371 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070158854 837628414 /nfs/dbraw/zinc/62/84/14/837628414.db2.gz WAHUDWLQHNMKLV-ILXRZTDVSA-N 2 1 361.475 0.371 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070327940 837647167 /nfs/dbraw/zinc/64/71/67/837647167.db2.gz KRMXMJUUTJBTGK-CABCVRRESA-N 2 1 361.475 0.372 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070382633 837651153 /nfs/dbraw/zinc/65/11/53/837651153.db2.gz JUGGZOKYUCLYIV-UXLLHSPISA-N 2 1 354.470 0.383 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382527 837651161 /nfs/dbraw/zinc/65/11/61/837651161.db2.gz DOGFRFDPAACNDA-NUJGCVRESA-N 2 1 350.507 0.824 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)O)CC1 ZINC001071073344 837725455 /nfs/dbraw/zinc/72/54/55/837725455.db2.gz VMENHFSDSUMBLJ-LESCRADOSA-N 2 1 350.463 0.558 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)N(C)C)CCCO2)CC[N@@H+]1C ZINC001073605651 837778337 /nfs/dbraw/zinc/77/83/37/837778337.db2.gz QBQYJQOSRLIIOQ-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)N(C)C)CCCO2)CC[N@H+]1C ZINC001073605651 837778342 /nfs/dbraw/zinc/77/83/42/837778342.db2.gz QBQYJQOSRLIIOQ-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)CCCO2)CC[NH+]1C ZINC001073605651 837778348 /nfs/dbraw/zinc/77/83/48/837778348.db2.gz QBQYJQOSRLIIOQ-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)CCCO2)CC[NH+]1C ZINC001073605651 837778357 /nfs/dbraw/zinc/77/83/57/837778357.db2.gz QBQYJQOSRLIIOQ-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099317913 844020056 /nfs/dbraw/zinc/02/00/56/844020056.db2.gz VQMVYKDRZAYHKT-CYZMBNFOSA-N 2 1 364.412 0.571 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341868 844035123 /nfs/dbraw/zinc/03/51/23/844035123.db2.gz XYZDCKXQKOZWNU-IACUBPJLSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341868 844035131 /nfs/dbraw/zinc/03/51/31/844035131.db2.gz XYZDCKXQKOZWNU-IACUBPJLSA-N 2 1 359.396 0.851 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099345679 844037005 /nfs/dbraw/zinc/03/70/05/844037005.db2.gz OKCAOMBHOMKDKQ-JHJVBQTASA-N 2 1 364.412 0.715 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001100344503 844051552 /nfs/dbraw/zinc/05/15/52/844051552.db2.gz APACQESRSAVOKU-YQEWQEHLSA-N 2 1 350.507 0.822 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187392 844098314 /nfs/dbraw/zinc/09/83/14/844098314.db2.gz QJHMQMSVHTVVTG-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187392 844098324 /nfs/dbraw/zinc/09/83/24/844098324.db2.gz QJHMQMSVHTVVTG-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187392 844098341 /nfs/dbraw/zinc/09/83/41/844098341.db2.gz QJHMQMSVHTVVTG-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187392 844098353 /nfs/dbraw/zinc/09/83/53/844098353.db2.gz QJHMQMSVHTVVTG-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187526 844096920 /nfs/dbraw/zinc/09/69/20/844096920.db2.gz RMXLJAJTMKOVRQ-KEYYUXOJSA-N 2 1 361.433 0.379 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187526 844096931 /nfs/dbraw/zinc/09/69/31/844096931.db2.gz RMXLJAJTMKOVRQ-KEYYUXOJSA-N 2 1 361.433 0.379 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187526 844096942 /nfs/dbraw/zinc/09/69/42/844096942.db2.gz RMXLJAJTMKOVRQ-KEYYUXOJSA-N 2 1 361.433 0.379 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC(F)F)C[C@@]3(C)C2)C1 ZINC001101187526 844096951 /nfs/dbraw/zinc/09/69/51/844096951.db2.gz RMXLJAJTMKOVRQ-KEYYUXOJSA-N 2 1 361.433 0.379 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243549 844116952 /nfs/dbraw/zinc/11/69/52/844116952.db2.gz LUCJXWJXXXYGKO-MTNOOBJLSA-N 2 1 353.507 0.770 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243549 844116957 /nfs/dbraw/zinc/11/69/57/844116957.db2.gz LUCJXWJXXXYGKO-MTNOOBJLSA-N 2 1 353.507 0.770 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243549 844116962 /nfs/dbraw/zinc/11/69/62/844116962.db2.gz LUCJXWJXXXYGKO-MTNOOBJLSA-N 2 1 353.507 0.770 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267401 844126098 /nfs/dbraw/zinc/12/60/98/844126098.db2.gz CDIIBTCFPFLJJP-SUMDDJOVSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280605 844131267 /nfs/dbraw/zinc/13/12/67/844131267.db2.gz SWRSYOCGBYVPMS-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280605 844131277 /nfs/dbraw/zinc/13/12/77/844131277.db2.gz SWRSYOCGBYVPMS-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280605 844131284 /nfs/dbraw/zinc/13/12/84/844131284.db2.gz SWRSYOCGBYVPMS-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101280605 844131288 /nfs/dbraw/zinc/13/12/88/844131288.db2.gz SWRSYOCGBYVPMS-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290246 844137282 /nfs/dbraw/zinc/13/72/82/844137282.db2.gz HDXFRHNRMUUGPR-NUJGCVRESA-N 2 1 351.491 0.402 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101341196 844151984 /nfs/dbraw/zinc/15/19/84/844151984.db2.gz AIVGTGNFFCZEKP-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000749006261 836337565 /nfs/dbraw/zinc/33/75/65/836337565.db2.gz QFTVQIVNDOQHLB-UHFFFAOYSA-N 2 1 357.568 0.199 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351824 844154413 /nfs/dbraw/zinc/15/44/13/844154413.db2.gz NLQYAVIUHKOAGY-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353085 844156107 /nfs/dbraw/zinc/15/61/07/844156107.db2.gz SWXCQRJQYNCCQP-LMMKCTJWSA-N 2 1 355.523 0.752 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101352416 844156522 /nfs/dbraw/zinc/15/65/22/844156522.db2.gz FTWPKVKOGUKZJD-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363949 844160118 /nfs/dbraw/zinc/16/01/18/844160118.db2.gz HSNAVYPMKFRBJH-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363949 844160123 /nfs/dbraw/zinc/16/01/23/844160123.db2.gz HSNAVYPMKFRBJH-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363949 844160129 /nfs/dbraw/zinc/16/01/29/844160129.db2.gz HSNAVYPMKFRBJH-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365925 844161267 /nfs/dbraw/zinc/16/12/67/844161267.db2.gz QMVZWZQALDBRJA-VYDXJSESSA-N 2 1 359.536 0.542 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365925 844161276 /nfs/dbraw/zinc/16/12/76/844161276.db2.gz QMVZWZQALDBRJA-VYDXJSESSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000751038146 836461419 /nfs/dbraw/zinc/46/14/19/836461419.db2.gz IYZHPGRUAHPHTC-HOTGVXAUSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000751038146 836461427 /nfs/dbraw/zinc/46/14/27/836461427.db2.gz IYZHPGRUAHPHTC-HOTGVXAUSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000751038146 836461432 /nfs/dbraw/zinc/46/14/32/836461432.db2.gz IYZHPGRUAHPHTC-HOTGVXAUSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101400153 844174976 /nfs/dbraw/zinc/17/49/76/844174976.db2.gz IZZDGTIDDJUIJC-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@]2(C)C1 ZINC001101432216 844183965 /nfs/dbraw/zinc/18/39/65/844183965.db2.gz HYAZVYLIOQPKCK-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101435250 844185345 /nfs/dbraw/zinc/18/53/45/844185345.db2.gz FSBOMBLSGCAKRK-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001059731999 836642125 /nfs/dbraw/zinc/64/21/25/836642125.db2.gz HQPIWCOCMLGSPF-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101438466 844186643 /nfs/dbraw/zinc/18/66/43/844186643.db2.gz ACDAXWNJXYRKCB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101438466 844186647 /nfs/dbraw/zinc/18/66/47/844186647.db2.gz ACDAXWNJXYRKCB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101438466 844186652 /nfs/dbraw/zinc/18/66/52/844186652.db2.gz ACDAXWNJXYRKCB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459609 844193311 /nfs/dbraw/zinc/19/33/11/844193311.db2.gz LLIFNMBYEREREE-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459609 844193316 /nfs/dbraw/zinc/19/33/16/844193316.db2.gz LLIFNMBYEREREE-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459609 844193318 /nfs/dbraw/zinc/19/33/18/844193318.db2.gz LLIFNMBYEREREE-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101437856 844187398 /nfs/dbraw/zinc/18/73/98/844187398.db2.gz TWOROBWBLASHSQ-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460435 844193509 /nfs/dbraw/zinc/19/35/09/844193509.db2.gz FOWPVJPJRKROPW-FCEWJHQRSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460435 844193515 /nfs/dbraw/zinc/19/35/15/844193515.db2.gz FOWPVJPJRKROPW-FCEWJHQRSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460435 844193518 /nfs/dbraw/zinc/19/35/18/844193518.db2.gz FOWPVJPJRKROPW-FCEWJHQRSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464305 844194272 /nfs/dbraw/zinc/19/42/72/844194272.db2.gz BLDSDRUQOCPORK-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469151 844197866 /nfs/dbraw/zinc/19/78/66/844197866.db2.gz DGXUBRQGEJSBQO-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469151 844197875 /nfs/dbraw/zinc/19/78/75/844197875.db2.gz DGXUBRQGEJSBQO-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469151 844197880 /nfs/dbraw/zinc/19/78/80/844197880.db2.gz DGXUBRQGEJSBQO-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOC(C)C)C[C@@]3(C)C2)C1 ZINC001101469151 844197885 /nfs/dbraw/zinc/19/78/85/844197885.db2.gz DGXUBRQGEJSBQO-LMMKCTJWSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063221709 836757298 /nfs/dbraw/zinc/75/72/98/836757298.db2.gz IDGPJNLYUGNXCK-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063221709 836757304 /nfs/dbraw/zinc/75/73/04/836757304.db2.gz IDGPJNLYUGNXCK-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063221709 836757310 /nfs/dbraw/zinc/75/73/10/836757310.db2.gz IDGPJNLYUGNXCK-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063223671 836759309 /nfs/dbraw/zinc/75/93/09/836759309.db2.gz SMNIJRUQRZNIBN-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223671 836759313 /nfs/dbraw/zinc/75/93/13/836759313.db2.gz SMNIJRUQRZNIBN-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223671 836759321 /nfs/dbraw/zinc/75/93/21/836759321.db2.gz SMNIJRUQRZNIBN-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101478249 844201299 /nfs/dbraw/zinc/20/12/99/844201299.db2.gz FXGITZSWLMEWBF-QAPCUYQASA-N 2 1 351.495 0.132 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101478249 844201302 /nfs/dbraw/zinc/20/13/02/844201302.db2.gz FXGITZSWLMEWBF-QAPCUYQASA-N 2 1 351.495 0.132 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101478249 844201307 /nfs/dbraw/zinc/20/13/07/844201307.db2.gz FXGITZSWLMEWBF-QAPCUYQASA-N 2 1 351.495 0.132 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCC1 ZINC001064547948 836798029 /nfs/dbraw/zinc/79/80/29/836798029.db2.gz OAGHMVUTJNNSHT-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)CC[N@H+]1C ZINC001065574076 836843589 /nfs/dbraw/zinc/84/35/89/836843589.db2.gz ABNWIJKKJJLRCP-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815740 844279034 /nfs/dbraw/zinc/27/90/34/844279034.db2.gz QPKGCYXRRXUDLQ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815740 844279044 /nfs/dbraw/zinc/27/90/44/844279044.db2.gz QPKGCYXRRXUDLQ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815740 844279051 /nfs/dbraw/zinc/27/90/51/844279051.db2.gz QPKGCYXRRXUDLQ-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001076362077 837991706 /nfs/dbraw/zinc/99/17/06/837991706.db2.gz ZMFYWZOBSUIYCQ-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001076362077 837991716 /nfs/dbraw/zinc/99/17/16/837991716.db2.gz ZMFYWZOBSUIYCQ-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007476 838212409 /nfs/dbraw/zinc/21/24/09/838212409.db2.gz OHUZQJODOSFJOF-RBSFLKMASA-N 2 1 350.488 0.455 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007476 838212423 /nfs/dbraw/zinc/21/24/23/838212423.db2.gz OHUZQJODOSFJOF-RBSFLKMASA-N 2 1 350.488 0.455 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)CC[N@@H+]1C ZINC001077027518 838226771 /nfs/dbraw/zinc/22/67/71/838226771.db2.gz LDJFLFHGWOECSH-ZJIFWQFVSA-N 2 1 352.504 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)CC[N@H+]1C ZINC001077027518 838226784 /nfs/dbraw/zinc/22/67/84/838226784.db2.gz LDJFLFHGWOECSH-ZJIFWQFVSA-N 2 1 352.504 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC[NH+]1C ZINC001077027518 838226795 /nfs/dbraw/zinc/22/67/95/838226795.db2.gz LDJFLFHGWOECSH-ZJIFWQFVSA-N 2 1 352.504 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC[NH+]1C ZINC001077027518 838226805 /nfs/dbraw/zinc/22/68/05/838226805.db2.gz LDJFLFHGWOECSH-ZJIFWQFVSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)CC[NH+]1C ZINC001101982955 844360597 /nfs/dbraw/zinc/36/05/97/844360597.db2.gz UMEDWDBRQNFDCI-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001101982955 844360610 /nfs/dbraw/zinc/36/06/10/844360610.db2.gz UMEDWDBRQNFDCI-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)CC[N@H+]1C ZINC001101982955 844360620 /nfs/dbraw/zinc/36/06/20/844360620.db2.gz UMEDWDBRQNFDCI-KLHDSHLOSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128156 838752369 /nfs/dbraw/zinc/75/23/69/838752369.db2.gz ZJHFAXCRTNATAM-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128156 838752375 /nfs/dbraw/zinc/75/23/75/838752375.db2.gz ZJHFAXCRTNATAM-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077128156 838752380 /nfs/dbraw/zinc/75/23/80/838752380.db2.gz ZJHFAXCRTNATAM-RCCFBDPRSA-N 2 1 353.507 0.552 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077149150 838772322 /nfs/dbraw/zinc/77/23/22/838772322.db2.gz SZNGMCSVGSUSFY-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077149150 838772329 /nfs/dbraw/zinc/77/23/29/838772329.db2.gz SZNGMCSVGSUSFY-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077149150 838772335 /nfs/dbraw/zinc/77/23/35/838772335.db2.gz SZNGMCSVGSUSFY-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077149150 838772336 /nfs/dbraw/zinc/77/23/36/838772336.db2.gz SZNGMCSVGSUSFY-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2O)O1 ZINC001077220064 838822183 /nfs/dbraw/zinc/82/21/83/838822183.db2.gz DEHOXYARAVYHEU-VDHUWJSZSA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2O)O1 ZINC001077220064 838822199 /nfs/dbraw/zinc/82/21/99/838822199.db2.gz DEHOXYARAVYHEU-VDHUWJSZSA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2O)O1 ZINC001077220064 838822211 /nfs/dbraw/zinc/82/22/11/838822211.db2.gz DEHOXYARAVYHEU-VDHUWJSZSA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)O1 ZINC001077220064 838822227 /nfs/dbraw/zinc/82/22/27/838822227.db2.gz DEHOXYARAVYHEU-VDHUWJSZSA-N 2 1 351.491 0.757 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001077394895 838946885 /nfs/dbraw/zinc/94/68/85/838946885.db2.gz JFSHXACHULOWIC-BRWVUGGUSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001077394895 838946893 /nfs/dbraw/zinc/94/68/93/838946893.db2.gz JFSHXACHULOWIC-BRWVUGGUSA-N 2 1 350.463 0.294 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504886 839002100 /nfs/dbraw/zinc/00/21/00/839002100.db2.gz DFWBUAZDHDLHHT-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051808 844397290 /nfs/dbraw/zinc/39/72/90/844397290.db2.gz NXGAMXRGIIULLI-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051808 844397299 /nfs/dbraw/zinc/39/72/99/844397299.db2.gz NXGAMXRGIIULLI-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051808 844397305 /nfs/dbraw/zinc/39/73/05/844397305.db2.gz NXGAMXRGIIULLI-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566680 839040859 /nfs/dbraw/zinc/04/08/59/839040859.db2.gz KLIGRLFYJRSQLV-RBSFLKMASA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566680 839040867 /nfs/dbraw/zinc/04/08/67/839040867.db2.gz KLIGRLFYJRSQLV-RBSFLKMASA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566680 839040879 /nfs/dbraw/zinc/04/08/79/839040879.db2.gz KLIGRLFYJRSQLV-RBSFLKMASA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)C1 ZINC001077566680 839040893 /nfs/dbraw/zinc/04/08/93/839040893.db2.gz KLIGRLFYJRSQLV-RBSFLKMASA-N 2 1 361.433 0.302 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)CC[N@@H+]1C ZINC001077572693 839049198 /nfs/dbraw/zinc/04/91/98/839049198.db2.gz IRZRUFUHFLXIRG-WMHQRMGPSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)CC[N@H+]1C ZINC001077572693 839049212 /nfs/dbraw/zinc/04/92/12/839049212.db2.gz IRZRUFUHFLXIRG-WMHQRMGPSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC[NH+]1C ZINC001077572693 839049220 /nfs/dbraw/zinc/04/92/20/839049220.db2.gz IRZRUFUHFLXIRG-WMHQRMGPSA-N 2 1 352.504 0.577 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC[NH+]1C ZINC001077572693 839049233 /nfs/dbraw/zinc/04/92/33/839049233.db2.gz IRZRUFUHFLXIRG-WMHQRMGPSA-N 2 1 352.504 0.577 20 0 FCADMP CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044784 844393815 /nfs/dbraw/zinc/39/38/15/844393815.db2.gz FJHULYSLMZSNDF-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044784 844393824 /nfs/dbraw/zinc/39/38/24/844393824.db2.gz FJHULYSLMZSNDF-ZACQAIPSSA-N 2 1 351.495 0.534 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046339 844394247 /nfs/dbraw/zinc/39/42/47/844394247.db2.gz ZCMCCHFVDIBLNE-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001077779623 839154015 /nfs/dbraw/zinc/15/40/15/839154015.db2.gz YLRSTIAMTHAWBZ-HZPDHXFCSA-N 2 1 352.504 0.579 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001077779623 839154020 /nfs/dbraw/zinc/15/40/20/839154020.db2.gz YLRSTIAMTHAWBZ-HZPDHXFCSA-N 2 1 352.504 0.579 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102091009 844410061 /nfs/dbraw/zinc/41/00/61/844410061.db2.gz NLQJTXKYSCIJJR-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001102091009 844410068 /nfs/dbraw/zinc/41/00/68/844410068.db2.gz NLQJTXKYSCIJJR-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001102091009 844410074 /nfs/dbraw/zinc/41/00/74/844410074.db2.gz NLQJTXKYSCIJJR-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077924173 839234556 /nfs/dbraw/zinc/23/45/56/839234556.db2.gz WOZQXZVLFOHEBZ-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119360 844422905 /nfs/dbraw/zinc/42/29/05/844422905.db2.gz ICWJKDDPHKRBDH-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102156511 844431540 /nfs/dbraw/zinc/43/15/40/844431540.db2.gz XIABISTVHREERX-VNQPRFMTSA-N 2 1 368.503 0.310 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102156511 844431545 /nfs/dbraw/zinc/43/15/45/844431545.db2.gz XIABISTVHREERX-VNQPRFMTSA-N 2 1 368.503 0.310 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102188542 844438530 /nfs/dbraw/zinc/43/85/30/844438530.db2.gz AGVNQLDQOCDMTQ-NXHRZFHOSA-N 2 1 353.507 0.554 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270148 839502820 /nfs/dbraw/zinc/50/28/20/839502820.db2.gz DJITYNQBKZYCQV-YESZJQIVSA-N 2 1 351.491 0.260 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079267577 839503090 /nfs/dbraw/zinc/50/30/90/839503090.db2.gz XYBCELZFCYMXOG-DLBZAZTESA-N 2 1 351.491 0.668 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102264543 844454279 /nfs/dbraw/zinc/45/42/79/844454279.db2.gz OUFFBQLODBFZAT-FGTMMUONSA-N 2 1 355.523 0.801 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001102264543 844454284 /nfs/dbraw/zinc/45/42/84/844454284.db2.gz OUFFBQLODBFZAT-FGTMMUONSA-N 2 1 355.523 0.801 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001102264543 844454286 /nfs/dbraw/zinc/45/42/86/844454286.db2.gz OUFFBQLODBFZAT-FGTMMUONSA-N 2 1 355.523 0.801 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275996 844456519 /nfs/dbraw/zinc/45/65/19/844456519.db2.gz BRHARXPLJKLQEW-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275996 844456522 /nfs/dbraw/zinc/45/65/22/844456522.db2.gz BRHARXPLJKLQEW-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275996 844456526 /nfs/dbraw/zinc/45/65/26/844456526.db2.gz BRHARXPLJKLQEW-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037185 839653240 /nfs/dbraw/zinc/65/32/40/839653240.db2.gz GMAGUURKQDKCPR-OWCLPIDISA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037185 839653244 /nfs/dbraw/zinc/65/32/44/839653244.db2.gz GMAGUURKQDKCPR-OWCLPIDISA-N 2 1 369.531 0.486 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285147 844458816 /nfs/dbraw/zinc/45/88/16/844458816.db2.gz BZNXPKNGNBUEFQ-UKRRQHHQSA-N 2 1 350.463 0.775 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317856 839702198 /nfs/dbraw/zinc/70/21/98/839702198.db2.gz DGTVDPTZLYQLFT-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317856 839702213 /nfs/dbraw/zinc/70/22/13/839702213.db2.gz DGTVDPTZLYQLFT-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317856 839702225 /nfs/dbraw/zinc/70/22/25/839702225.db2.gz DGTVDPTZLYQLFT-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)C1 ZINC001080317856 839702240 /nfs/dbraw/zinc/70/22/40/839702240.db2.gz DGTVDPTZLYQLFT-KBAYOESNSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377190 839713075 /nfs/dbraw/zinc/71/30/75/839713075.db2.gz FOQXFYXOQYVOIV-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377190 839713084 /nfs/dbraw/zinc/71/30/84/839713084.db2.gz FOQXFYXOQYVOIV-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312681 844464232 /nfs/dbraw/zinc/46/42/32/844464232.db2.gz ILCTWTJSDRVLNY-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443066 839725771 /nfs/dbraw/zinc/72/57/71/839725771.db2.gz YHQFWOYLABQSBK-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443066 839725782 /nfs/dbraw/zinc/72/57/82/839725782.db2.gz YHQFWOYLABQSBK-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080443066 839725791 /nfs/dbraw/zinc/72/57/91/839725791.db2.gz YHQFWOYLABQSBK-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080443066 839725802 /nfs/dbraw/zinc/72/58/02/839725802.db2.gz YHQFWOYLABQSBK-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977100 839854218 /nfs/dbraw/zinc/85/42/18/839854218.db2.gz WCFBEMGRZFNKJA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977100 839854219 /nfs/dbraw/zinc/85/42/19/839854219.db2.gz WCFBEMGRZFNKJA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977100 839854220 /nfs/dbraw/zinc/85/42/20/839854220.db2.gz WCFBEMGRZFNKJA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977100 839854225 /nfs/dbraw/zinc/85/42/25/839854225.db2.gz WCFBEMGRZFNKJA-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375320 844479363 /nfs/dbraw/zinc/47/93/63/844479363.db2.gz CGLMQGBXQYEKHB-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375320 844479365 /nfs/dbraw/zinc/47/93/65/844479365.db2.gz CGLMQGBXQYEKHB-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2nncn2C)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375320 844479368 /nfs/dbraw/zinc/47/93/68/844479368.db2.gz CGLMQGBXQYEKHB-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2nncn2C)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375320 844479369 /nfs/dbraw/zinc/47/93/69/844479369.db2.gz CGLMQGBXQYEKHB-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372808 844478573 /nfs/dbraw/zinc/47/85/73/844478573.db2.gz OQCCUOMYNNDXEI-LBTNJELSSA-N 2 1 356.486 0.629 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372808 844478580 /nfs/dbraw/zinc/47/85/80/844478580.db2.gz OQCCUOMYNNDXEI-LBTNJELSSA-N 2 1 356.486 0.629 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372808 844478587 /nfs/dbraw/zinc/47/85/87/844478587.db2.gz OQCCUOMYNNDXEI-LBTNJELSSA-N 2 1 356.486 0.629 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949369 840120265 /nfs/dbraw/zinc/12/02/65/840120265.db2.gz MEAJSNAFSKXRDJ-ARFHVFGLSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949369 840120271 /nfs/dbraw/zinc/12/02/71/840120271.db2.gz MEAJSNAFSKXRDJ-ARFHVFGLSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095862 840183067 /nfs/dbraw/zinc/18/30/67/840183067.db2.gz MGXVBMOGKWYIEW-KFWWJZLASA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095862 840183077 /nfs/dbraw/zinc/18/30/77/840183077.db2.gz MGXVBMOGKWYIEW-KFWWJZLASA-N 2 1 361.433 0.568 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102473692 844514764 /nfs/dbraw/zinc/51/47/64/844514764.db2.gz LBLOOEFOBPIBTB-BRWVUGGUSA-N 2 1 351.495 0.270 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102475244 844515655 /nfs/dbraw/zinc/51/56/55/844515655.db2.gz FVYHWPZDPUYWGB-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480192 844519872 /nfs/dbraw/zinc/51/98/72/844519872.db2.gz BWDYSDCZEXPVPP-HZPDHXFCSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328724 840313512 /nfs/dbraw/zinc/31/35/12/840313512.db2.gz IMEPFHYIZHFMLH-MGPQQGTHSA-N 2 1 359.417 0.322 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328724 840313529 /nfs/dbraw/zinc/31/35/29/840313529.db2.gz IMEPFHYIZHFMLH-MGPQQGTHSA-N 2 1 359.417 0.322 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102495960 844529715 /nfs/dbraw/zinc/52/97/15/844529715.db2.gz VVEFNEGSTSGXTL-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102495960 844529717 /nfs/dbraw/zinc/52/97/17/844529717.db2.gz VVEFNEGSTSGXTL-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102495960 844529722 /nfs/dbraw/zinc/52/97/22/844529722.db2.gz VVEFNEGSTSGXTL-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(COC)no2)C[C@H]1C ZINC001102495879 844529825 /nfs/dbraw/zinc/52/98/25/844529825.db2.gz RPNMCEKMARTMQN-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(COC)no2)C[C@H]1C ZINC001102495879 844529828 /nfs/dbraw/zinc/52/98/28/844529828.db2.gz RPNMCEKMARTMQN-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1C ZINC001102495879 844529831 /nfs/dbraw/zinc/52/98/31/844529831.db2.gz RPNMCEKMARTMQN-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1C ZINC001102495879 844529835 /nfs/dbraw/zinc/52/98/35/844529835.db2.gz RPNMCEKMARTMQN-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368543 840354234 /nfs/dbraw/zinc/35/42/34/840354234.db2.gz GPOLGAMFTSDRND-RBSFLKMASA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368543 840354247 /nfs/dbraw/zinc/35/42/47/840354247.db2.gz GPOLGAMFTSDRND-RBSFLKMASA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368543 840354260 /nfs/dbraw/zinc/35/42/60/840354260.db2.gz GPOLGAMFTSDRND-RBSFLKMASA-N 2 1 351.451 0.078 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368543 840354273 /nfs/dbraw/zinc/35/42/73/840354273.db2.gz GPOLGAMFTSDRND-RBSFLKMASA-N 2 1 351.451 0.078 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082557241 840463908 /nfs/dbraw/zinc/46/39/08/840463908.db2.gz UFSMGRQLLDWJCR-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511308 844541412 /nfs/dbraw/zinc/54/14/12/844541412.db2.gz RMQFIFMSRWHTIR-OWCLPIDISA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082595976 840481268 /nfs/dbraw/zinc/48/12/68/840481268.db2.gz OSTWAHAAMGVALQ-KFWWJZLASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082595976 840481273 /nfs/dbraw/zinc/48/12/73/840481273.db2.gz OSTWAHAAMGVALQ-KFWWJZLASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082595977 840481557 /nfs/dbraw/zinc/48/15/57/840481557.db2.gz OSTWAHAAMGVALQ-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082595977 840481562 /nfs/dbraw/zinc/48/15/62/840481562.db2.gz OSTWAHAAMGVALQ-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP Cc1nnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513463 844544869 /nfs/dbraw/zinc/54/48/69/844544869.db2.gz LPDGXKXJRTVYAG-VNHYZAJKSA-N 2 1 353.467 0.701 20 0 FCADMP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513463 844544874 /nfs/dbraw/zinc/54/48/74/844544874.db2.gz LPDGXKXJRTVYAG-VNHYZAJKSA-N 2 1 353.467 0.701 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102524992 844553530 /nfs/dbraw/zinc/55/35/30/844553530.db2.gz HDIZIHRTFOAGDB-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102524992 844553535 /nfs/dbraw/zinc/55/35/35/844553535.db2.gz HDIZIHRTFOAGDB-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102524992 844553540 /nfs/dbraw/zinc/55/35/40/844553540.db2.gz HDIZIHRTFOAGDB-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102524710 844552169 /nfs/dbraw/zinc/55/21/69/844552169.db2.gz RXNDSDDYWQADIP-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102524710 844552174 /nfs/dbraw/zinc/55/21/74/844552174.db2.gz RXNDSDDYWQADIP-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102524710 844552176 /nfs/dbraw/zinc/55/21/76/844552176.db2.gz RXNDSDDYWQADIP-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525323 844552771 /nfs/dbraw/zinc/55/27/71/844552771.db2.gz WRNAYYZXGHCCSB-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525323 844552774 /nfs/dbraw/zinc/55/27/74/844552774.db2.gz WRNAYYZXGHCCSB-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525323 844552777 /nfs/dbraw/zinc/55/27/77/844552777.db2.gz WRNAYYZXGHCCSB-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCF)C[C@@H]32)n1 ZINC001083084727 840698575 /nfs/dbraw/zinc/69/85/75/840698575.db2.gz BZIQKUNJEDVBKJ-JKSUJKDBSA-N 2 1 353.442 0.330 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106345 840715742 /nfs/dbraw/zinc/71/57/42/840715742.db2.gz WXMYKNBTVQKFNH-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106345 840715750 /nfs/dbraw/zinc/71/57/50/840715750.db2.gz WXMYKNBTVQKFNH-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]21)C1CCC1 ZINC001083106345 840715757 /nfs/dbraw/zinc/71/57/57/840715757.db2.gz WXMYKNBTVQKFNH-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579922 844574163 /nfs/dbraw/zinc/57/41/63/844574163.db2.gz XEUWJUMMSZLYHI-IXDOHACOSA-N 2 1 371.547 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102580669 844574253 /nfs/dbraw/zinc/57/42/53/844574253.db2.gz GUEBTRBVIFGIBP-VNQPRFMTSA-N 2 1 368.503 0.310 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102580669 844574261 /nfs/dbraw/zinc/57/42/61/844574261.db2.gz GUEBTRBVIFGIBP-VNQPRFMTSA-N 2 1 368.503 0.310 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578284 844572789 /nfs/dbraw/zinc/57/27/89/844572789.db2.gz ULCGSAARLWCIAW-BZUAXINKSA-N 2 1 353.511 0.330 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578284 844572791 /nfs/dbraw/zinc/57/27/91/844572791.db2.gz ULCGSAARLWCIAW-BZUAXINKSA-N 2 1 353.511 0.330 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578284 844572794 /nfs/dbraw/zinc/57/27/94/844572794.db2.gz ULCGSAARLWCIAW-BZUAXINKSA-N 2 1 353.511 0.330 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@@H]32)CC1 ZINC001083182817 840779772 /nfs/dbraw/zinc/77/97/72/840779772.db2.gz YSXKYAHXOWLFBX-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]32)CC1 ZINC001083235111 840818591 /nfs/dbraw/zinc/81/85/91/840818591.db2.gz NKSCRIHJNNEMKJ-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083274904 840856723 /nfs/dbraw/zinc/85/67/23/840856723.db2.gz FXIQLZGTQOXFQO-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083284154 840868158 /nfs/dbraw/zinc/86/81/58/840868158.db2.gz SYBTVUHNWIHAAQ-FGTMMUONSA-N 2 1 351.491 0.811 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599188 844589698 /nfs/dbraw/zinc/58/96/98/844589698.db2.gz SQHRPEXTBUWDMQ-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601305 844592258 /nfs/dbraw/zinc/59/22/58/844592258.db2.gz WJSQMPKYXKXOTD-ARFHVFGLSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601305 844592262 /nfs/dbraw/zinc/59/22/62/844592262.db2.gz WJSQMPKYXKXOTD-ARFHVFGLSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102601305 844592270 /nfs/dbraw/zinc/59/22/70/844592270.db2.gz WJSQMPKYXKXOTD-ARFHVFGLSA-N 2 1 361.552 0.691 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601772 844593982 /nfs/dbraw/zinc/59/39/82/844593982.db2.gz PBOHPRWZGIYZDZ-NUJGCVRESA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460411 841027223 /nfs/dbraw/zinc/02/72/23/841027223.db2.gz GESGXHKVDKPRCF-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560111 841170432 /nfs/dbraw/zinc/17/04/32/841170432.db2.gz RFGDDOZYTNHROD-CABCVRRESA-N 2 1 364.515 0.989 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560111 841170443 /nfs/dbraw/zinc/17/04/43/841170443.db2.gz RFGDDOZYTNHROD-CABCVRRESA-N 2 1 364.515 0.989 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083594038 841211494 /nfs/dbraw/zinc/21/14/94/841211494.db2.gz JCGGJTUKXTXSLX-IKGGRYGDSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083594038 841211500 /nfs/dbraw/zinc/21/15/00/841211500.db2.gz JCGGJTUKXTXSLX-IKGGRYGDSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083594038 841211505 /nfs/dbraw/zinc/21/15/05/841211505.db2.gz JCGGJTUKXTXSLX-IKGGRYGDSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083594038 841211510 /nfs/dbraw/zinc/21/15/10/841211510.db2.gz JCGGJTUKXTXSLX-IKGGRYGDSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696112 841325489 /nfs/dbraw/zinc/32/54/89/841325489.db2.gz JWFSUYQZRSCDBD-BBWFWOEESA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696213 841325820 /nfs/dbraw/zinc/32/58/20/841325820.db2.gz PAFVIXYGYWTZSH-CABCVRRESA-N 2 1 352.504 0.721 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696213 841325833 /nfs/dbraw/zinc/32/58/33/841325833.db2.gz PAFVIXYGYWTZSH-CABCVRRESA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083733341 841376521 /nfs/dbraw/zinc/37/65/21/841376521.db2.gz KCURWUXKMRJNFT-OAGGEKHMSA-N 2 1 351.447 0.685 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083733341 841376527 /nfs/dbraw/zinc/37/65/27/841376527.db2.gz KCURWUXKMRJNFT-OAGGEKHMSA-N 2 1 351.447 0.685 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083733494 841376891 /nfs/dbraw/zinc/37/68/91/841376891.db2.gz QLWYZNLVHWZVQQ-IMJJTQAJSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083733494 841376902 /nfs/dbraw/zinc/37/69/02/841376902.db2.gz QLWYZNLVHWZVQQ-IMJJTQAJSA-N 2 1 351.447 0.543 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801170 861198186 /nfs/dbraw/zinc/19/81/86/861198186.db2.gz MGQLLIXABDUPGF-MJGOQNOKSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801170 861198191 /nfs/dbraw/zinc/19/81/91/861198191.db2.gz MGQLLIXABDUPGF-MJGOQNOKSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275801170 861198198 /nfs/dbraw/zinc/19/81/98/861198198.db2.gz MGQLLIXABDUPGF-MJGOQNOKSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275801170 861198202 /nfs/dbraw/zinc/19/82/02/861198202.db2.gz MGQLLIXABDUPGF-MJGOQNOKSA-N 2 1 351.491 0.689 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001083833392 841479194 /nfs/dbraw/zinc/47/91/94/841479194.db2.gz YLRSTIAMTHAWBZ-CVEARBPZSA-N 2 1 352.504 0.579 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001083833392 841479197 /nfs/dbraw/zinc/47/91/97/841479197.db2.gz YLRSTIAMTHAWBZ-CVEARBPZSA-N 2 1 352.504 0.579 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083908780 841557097 /nfs/dbraw/zinc/55/70/97/841557097.db2.gz WOZQXZVLFOHEBZ-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954312 841600832 /nfs/dbraw/zinc/60/08/32/841600832.db2.gz UJBIGFYYBCINGF-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954312 841600838 /nfs/dbraw/zinc/60/08/38/841600838.db2.gz UJBIGFYYBCINGF-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954312 841600846 /nfs/dbraw/zinc/60/08/46/841600846.db2.gz UJBIGFYYBCINGF-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cs1 ZINC001083954249 841601190 /nfs/dbraw/zinc/60/11/90/841601190.db2.gz QYXXKHZNDOOHGG-IMJJTQAJSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cs1 ZINC001083954249 841601196 /nfs/dbraw/zinc/60/11/96/841601196.db2.gz QYXXKHZNDOOHGG-IMJJTQAJSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cs1 ZINC001083954249 841601199 /nfs/dbraw/zinc/60/11/99/841601199.db2.gz QYXXKHZNDOOHGG-IMJJTQAJSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cs1 ZINC001083954249 841601206 /nfs/dbraw/zinc/60/12/06/841601206.db2.gz QYXXKHZNDOOHGG-IMJJTQAJSA-N 2 1 352.504 0.497 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056603 841670544 /nfs/dbraw/zinc/67/05/44/841670544.db2.gz GLIHCTOPIANRKJ-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056603 841670550 /nfs/dbraw/zinc/67/05/50/841670550.db2.gz GLIHCTOPIANRKJ-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056603 841670556 /nfs/dbraw/zinc/67/05/56/841670556.db2.gz GLIHCTOPIANRKJ-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001084056603 841670562 /nfs/dbraw/zinc/67/05/62/841670562.db2.gz GLIHCTOPIANRKJ-XKQJLSEDSA-N 2 1 351.422 0.318 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001084059719 841672526 /nfs/dbraw/zinc/67/25/26/841672526.db2.gz VXWNDNLGOGWRQT-ZACQAIPSSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001084059719 841672532 /nfs/dbraw/zinc/67/25/32/841672532.db2.gz VXWNDNLGOGWRQT-ZACQAIPSSA-N 2 1 350.463 0.294 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078650 841688981 /nfs/dbraw/zinc/68/89/81/841688981.db2.gz BWSGFWRRQJLZQN-FGTMMUONSA-N 2 1 351.491 0.759 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078650 841688991 /nfs/dbraw/zinc/68/89/91/841688991.db2.gz BWSGFWRRQJLZQN-FGTMMUONSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078650 841689002 /nfs/dbraw/zinc/68/90/02/841689002.db2.gz BWSGFWRRQJLZQN-FGTMMUONSA-N 2 1 351.491 0.759 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084078650 841689009 /nfs/dbraw/zinc/68/90/09/841689009.db2.gz BWSGFWRRQJLZQN-FGTMMUONSA-N 2 1 351.491 0.759 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCOC4CCC4)C[C@H]32)O1 ZINC001084447577 841796268 /nfs/dbraw/zinc/79/62/68/841796268.db2.gz UJWPUWCDGLQEDZ-JOCBIADPSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCOC4CCC4)C[C@H]32)O1 ZINC001084447577 841796274 /nfs/dbraw/zinc/79/62/74/841796274.db2.gz UJWPUWCDGLQEDZ-JOCBIADPSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOC4CCC4)C[C@H]32)O1 ZINC001084447577 841796281 /nfs/dbraw/zinc/79/62/81/841796281.db2.gz UJWPUWCDGLQEDZ-JOCBIADPSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOC4CCC4)C[C@H]32)O1 ZINC001084447577 841796284 /nfs/dbraw/zinc/79/62/84/841796284.db2.gz UJWPUWCDGLQEDZ-JOCBIADPSA-N 2 1 351.491 0.807 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877614 861241167 /nfs/dbraw/zinc/24/11/67/861241167.db2.gz CKURMUMVEHWVRJ-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877614 861241177 /nfs/dbraw/zinc/24/11/77/861241177.db2.gz CKURMUMVEHWVRJ-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877614 861241184 /nfs/dbraw/zinc/24/11/84/861241184.db2.gz CKURMUMVEHWVRJ-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275879867 861244440 /nfs/dbraw/zinc/24/44/40/861244440.db2.gz QMFPPDKCAOONOO-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275879867 861244456 /nfs/dbraw/zinc/24/44/56/861244456.db2.gz QMFPPDKCAOONOO-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275879867 861244461 /nfs/dbraw/zinc/24/44/61/861244461.db2.gz QMFPPDKCAOONOO-HKUYNNGSSA-N 2 1 353.507 0.916 20 0 FCADMP CCNC(=O)CN1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001275880584 861247098 /nfs/dbraw/zinc/24/70/98/861247098.db2.gz UTMGKMLORHTLEX-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702719 841891936 /nfs/dbraw/zinc/89/19/36/841891936.db2.gz NMGFDOMAJOZTTG-USXIJHARSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702719 841891951 /nfs/dbraw/zinc/89/19/51/841891951.db2.gz NMGFDOMAJOZTTG-USXIJHARSA-N 2 1 350.507 0.728 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001084722348 841900519 /nfs/dbraw/zinc/90/05/19/841900519.db2.gz LCHIUDMLAASAJE-KZNAEPCWSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001084722348 841900525 /nfs/dbraw/zinc/90/05/25/841900525.db2.gz LCHIUDMLAASAJE-KZNAEPCWSA-N 2 1 351.491 0.668 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751832 841908402 /nfs/dbraw/zinc/90/84/02/841908402.db2.gz GNCRLUFBCDYITH-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751832 841908405 /nfs/dbraw/zinc/90/84/05/841908405.db2.gz GNCRLUFBCDYITH-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752069 841908420 /nfs/dbraw/zinc/90/84/20/841908420.db2.gz RBYDEVMOVNGYOY-IXDOHACOSA-N 2 1 350.507 0.903 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752069 841908426 /nfs/dbraw/zinc/90/84/26/841908426.db2.gz RBYDEVMOVNGYOY-IXDOHACOSA-N 2 1 350.507 0.903 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911613 841952841 /nfs/dbraw/zinc/95/28/41/841952841.db2.gz OTWZQTKENQAQQS-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911613 841952844 /nfs/dbraw/zinc/95/28/44/841952844.db2.gz OTWZQTKENQAQQS-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911613 841952851 /nfs/dbraw/zinc/95/28/51/841952851.db2.gz OTWZQTKENQAQQS-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC4CCOCC4)[C@H]3C2)C1 ZINC001084911613 841952859 /nfs/dbraw/zinc/95/28/59/841952859.db2.gz OTWZQTKENQAQQS-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953328 841967798 /nfs/dbraw/zinc/96/77/98/841967798.db2.gz DMTRVGYOTDDZAV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953328 841967805 /nfs/dbraw/zinc/96/78/05/841967805.db2.gz DMTRVGYOTDDZAV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953328 841967807 /nfs/dbraw/zinc/96/78/07/841967807.db2.gz DMTRVGYOTDDZAV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953328 841967812 /nfs/dbraw/zinc/96/78/12/841967812.db2.gz DMTRVGYOTDDZAV-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977735 841978109 /nfs/dbraw/zinc/97/81/09/841978109.db2.gz CUDCKNBZGXFSLL-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977735 841978117 /nfs/dbraw/zinc/97/81/17/841978117.db2.gz CUDCKNBZGXFSLL-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084977735 841978127 /nfs/dbraw/zinc/97/81/27/841978127.db2.gz CUDCKNBZGXFSLL-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084977735 841978131 /nfs/dbraw/zinc/97/81/31/841978131.db2.gz CUDCKNBZGXFSLL-IKGGRYGDSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1)[NH+](C)C ZINC001085035068 841997007 /nfs/dbraw/zinc/99/70/07/841997007.db2.gz DOOWOUTVQOONFR-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1)[NH+](C)C ZINC001085035579 841997073 /nfs/dbraw/zinc/99/70/73/841997073.db2.gz FSNYMRJSUAVYDX-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC001085202240 842043498 /nfs/dbraw/zinc/04/34/98/842043498.db2.gz UCFHQABUSIZAHU-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC001085203644 842043559 /nfs/dbraw/zinc/04/35/59/842043559.db2.gz UNDOLGRFBGCFMC-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001085252835 842059730 /nfs/dbraw/zinc/05/97/30/842059730.db2.gz JWKFMWPIPVYBGR-BFHYXJOUSA-N 2 1 351.451 0.631 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085332538 842078758 /nfs/dbraw/zinc/07/87/58/842078758.db2.gz BRYJBRDYFYWEFE-ARFHVFGLSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085332389 842079926 /nfs/dbraw/zinc/07/99/26/842079926.db2.gz VZRBTROYSWKTRM-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001086090814 842119472 /nfs/dbraw/zinc/11/94/72/842119472.db2.gz SAUTUFBXTCIJIP-APIJFGDWSA-N 2 1 352.458 0.572 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001086371739 842128702 /nfs/dbraw/zinc/12/87/02/842128702.db2.gz VXCPZICLUMGJNM-ZHCJQAHYSA-N 2 1 350.507 0.727 20 0 FCADMP COCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086371079 842128756 /nfs/dbraw/zinc/12/87/56/842128756.db2.gz OWUOQXPNIRETQQ-AAVRWANBSA-N 2 1 351.451 0.541 20 0 FCADMP COCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086371079 842128758 /nfs/dbraw/zinc/12/87/58/842128758.db2.gz OWUOQXPNIRETQQ-AAVRWANBSA-N 2 1 351.451 0.541 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001086659144 842144650 /nfs/dbraw/zinc/14/46/50/842144650.db2.gz LQKUCSFIYKWORS-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086665641 842146898 /nfs/dbraw/zinc/14/68/98/842146898.db2.gz KGPOAIOCJANWKP-UXLLHSPISA-N 2 1 350.463 0.997 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086665641 842146903 /nfs/dbraw/zinc/14/69/03/842146903.db2.gz KGPOAIOCJANWKP-UXLLHSPISA-N 2 1 350.463 0.997 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087035265 842231807 /nfs/dbraw/zinc/23/18/07/842231807.db2.gz TXHPDOPZZGTHHP-FVQBIDKESA-N 2 1 351.451 0.425 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083831 842278235 /nfs/dbraw/zinc/27/82/35/842278235.db2.gz URLASKFBXKRMFN-SQWLQELKSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087100916 842289036 /nfs/dbraw/zinc/28/90/36/842289036.db2.gz KXVUXJCTOJJWFE-MGPQQGTHSA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087101027 842290263 /nfs/dbraw/zinc/29/02/63/842290263.db2.gz PTFDZYOJCSWEBQ-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(=O)NC ZINC001087724093 842414838 /nfs/dbraw/zinc/41/48/38/842414838.db2.gz VPXIIBHMEXRWPG-PMUMKWKESA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(=O)NC ZINC001087724093 842414840 /nfs/dbraw/zinc/41/48/40/842414840.db2.gz VPXIIBHMEXRWPG-PMUMKWKESA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)NC ZINC001087724093 842414844 /nfs/dbraw/zinc/41/48/44/842414844.db2.gz VPXIIBHMEXRWPG-PMUMKWKESA-N 2 1 356.486 0.914 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)NC ZINC001087724093 842414846 /nfs/dbraw/zinc/41/48/46/842414846.db2.gz VPXIIBHMEXRWPG-PMUMKWKESA-N 2 1 356.486 0.914 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920657 842471971 /nfs/dbraw/zinc/47/19/71/842471971.db2.gz WUQMTGRMIIVHNH-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920657 842471974 /nfs/dbraw/zinc/47/19/74/842471974.db2.gz WUQMTGRMIIVHNH-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920657 842471976 /nfs/dbraw/zinc/47/19/76/842471976.db2.gz WUQMTGRMIIVHNH-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)C1 ZINC001087920657 842471980 /nfs/dbraw/zinc/47/19/80/842471980.db2.gz WUQMTGRMIIVHNH-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088012573 842499994 /nfs/dbraw/zinc/49/99/94/842499994.db2.gz QUBOZKBLMXILGJ-SJORKVTESA-N 2 1 353.507 0.508 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023010 842507376 /nfs/dbraw/zinc/50/73/76/842507376.db2.gz KBWQSIXUBNONDC-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023010 842507382 /nfs/dbraw/zinc/50/73/82/842507382.db2.gz KBWQSIXUBNONDC-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023010 842507387 /nfs/dbraw/zinc/50/73/87/842507387.db2.gz KBWQSIXUBNONDC-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001088047302 842516156 /nfs/dbraw/zinc/51/61/56/842516156.db2.gz QUIUZPPHARUFGB-XFHVWQCUSA-N 2 1 351.466 0.990 20 0 FCADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001088047302 842516166 /nfs/dbraw/zinc/51/61/66/842516166.db2.gz QUIUZPPHARUFGB-XFHVWQCUSA-N 2 1 351.466 0.990 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001088047302 842516170 /nfs/dbraw/zinc/51/61/70/842516170.db2.gz QUIUZPPHARUFGB-XFHVWQCUSA-N 2 1 351.466 0.990 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095367 842530269 /nfs/dbraw/zinc/53/02/69/842530269.db2.gz KLDQPVMENAPQSO-RVKKMQEKSA-N 2 1 350.507 0.632 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001088140851 842543269 /nfs/dbraw/zinc/54/32/69/842543269.db2.gz HZCALHGNCFFBLP-KSZLIROESA-N 2 1 351.491 0.526 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001088140851 842543276 /nfs/dbraw/zinc/54/32/76/842543276.db2.gz HZCALHGNCFFBLP-KSZLIROESA-N 2 1 351.491 0.526 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088562954 842614634 /nfs/dbraw/zinc/61/46/34/842614634.db2.gz WFOMASTYQCWAFT-PMPSAXMXSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088562954 842614639 /nfs/dbraw/zinc/61/46/39/842614639.db2.gz WFOMASTYQCWAFT-PMPSAXMXSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088562954 842614646 /nfs/dbraw/zinc/61/46/46/842614646.db2.gz WFOMASTYQCWAFT-PMPSAXMXSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCN1CCNC1=O ZINC001088791811 842676581 /nfs/dbraw/zinc/67/65/81/842676581.db2.gz DKDJFNLVQILQIZ-CABCVRRESA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001088835816 842690835 /nfs/dbraw/zinc/69/08/35/842690835.db2.gz PSRNKPKEKFVDGQ-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CCc1nocc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096837 842960129 /nfs/dbraw/zinc/96/01/29/842960129.db2.gz AJFNXPILJHTFHS-ZHOLYQSMSA-N 2 1 350.463 0.941 20 0 FCADMP CCc1nocc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096837 842960134 /nfs/dbraw/zinc/96/01/34/842960134.db2.gz AJFNXPILJHTFHS-ZHOLYQSMSA-N 2 1 350.463 0.941 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001091096886 842960864 /nfs/dbraw/zinc/96/08/64/842960864.db2.gz DLZUTBOPJIJCRL-BLYZHGLHSA-N 2 1 369.897 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001091096886 842960869 /nfs/dbraw/zinc/96/08/69/842960869.db2.gz DLZUTBOPJIJCRL-BLYZHGLHSA-N 2 1 369.897 0.777 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091783036 843093422 /nfs/dbraw/zinc/09/34/22/843093422.db2.gz RBSAKLXGSMRUKB-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524127 843230495 /nfs/dbraw/zinc/23/04/95/843230495.db2.gz RPUFUZHVMGDZQC-FMKPAKJESA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524127 843230507 /nfs/dbraw/zinc/23/05/07/843230507.db2.gz RPUFUZHVMGDZQC-FMKPAKJESA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccns2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092524127 843230515 /nfs/dbraw/zinc/23/05/15/843230515.db2.gz RPUFUZHVMGDZQC-FMKPAKJESA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccns2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092524127 843230528 /nfs/dbraw/zinc/23/05/28/843230528.db2.gz RPUFUZHVMGDZQC-FMKPAKJESA-N 2 1 352.504 0.700 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001092610559 843252555 /nfs/dbraw/zinc/25/25/55/843252555.db2.gz WZODSGYYOPUXBJ-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001092610559 843252564 /nfs/dbraw/zinc/25/25/64/843252564.db2.gz WZODSGYYOPUXBJ-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001092610559 843252573 /nfs/dbraw/zinc/25/25/73/843252573.db2.gz WZODSGYYOPUXBJ-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001092650833 843266104 /nfs/dbraw/zinc/26/61/04/843266104.db2.gz UAOJXRNVQIUOPB-BPLDGKMQSA-N 2 1 364.515 0.996 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918143 843341775 /nfs/dbraw/zinc/34/17/75/843341775.db2.gz APGYYKSRBVRZLS-UKRRQHHQSA-N 2 1 350.463 0.727 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309634 861406024 /nfs/dbraw/zinc/40/60/24/861406024.db2.gz YYNILLVZKFQRHG-PKOBYXMFSA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969070 843356542 /nfs/dbraw/zinc/35/65/42/843356542.db2.gz HCRICOFOGNUGFQ-QLFBSQMISA-N 2 1 350.463 0.949 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969070 843356550 /nfs/dbraw/zinc/35/65/50/843356550.db2.gz HCRICOFOGNUGFQ-QLFBSQMISA-N 2 1 350.463 0.949 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093044331 843370658 /nfs/dbraw/zinc/37/06/58/843370658.db2.gz HBBSQOOMCZCLGE-OWCLPIDISA-N 2 1 351.495 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194209 843404338 /nfs/dbraw/zinc/40/43/38/843404338.db2.gz XOVQRUCJSXOKPB-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194209 843404350 /nfs/dbraw/zinc/40/43/50/843404350.db2.gz XOVQRUCJSXOKPB-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194209 843404359 /nfs/dbraw/zinc/40/43/59/843404359.db2.gz XOVQRUCJSXOKPB-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209164 843408939 /nfs/dbraw/zinc/40/89/39/843408939.db2.gz VRVWVXHIEOFQFR-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209164 843408944 /nfs/dbraw/zinc/40/89/44/843408944.db2.gz VRVWVXHIEOFQFR-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209164 843408945 /nfs/dbraw/zinc/40/89/45/843408945.db2.gz VRVWVXHIEOFQFR-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209164 843408948 /nfs/dbraw/zinc/40/89/48/843408948.db2.gz VRVWVXHIEOFQFR-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209048 843409149 /nfs/dbraw/zinc/40/91/49/843409149.db2.gz QAIMZTWVPXZPEH-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209048 843409153 /nfs/dbraw/zinc/40/91/53/843409153.db2.gz QAIMZTWVPXZPEH-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209048 843409155 /nfs/dbraw/zinc/40/91/55/843409155.db2.gz QAIMZTWVPXZPEH-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2C)C1 ZINC001093209048 843409158 /nfs/dbraw/zinc/40/91/58/843409158.db2.gz QAIMZTWVPXZPEH-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451296 843435278 /nfs/dbraw/zinc/43/52/78/843435278.db2.gz SNJDBZAYLIXDJI-RWQQGDIJSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451293 843435440 /nfs/dbraw/zinc/43/54/40/843435440.db2.gz SNJDBZAYLIXDJI-FPAYPSAMSA-N 2 1 353.507 0.429 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001093481428 843442142 /nfs/dbraw/zinc/44/21/42/843442142.db2.gz WRRMEWIHTGJITM-XYVMCAHJSA-N 2 1 350.463 0.150 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001094110598 843516577 /nfs/dbraw/zinc/51/65/77/843516577.db2.gz IALOHKBXZSBGMD-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094110592 843517419 /nfs/dbraw/zinc/51/74/19/843517419.db2.gz HYNNJVPMHUWAEE-UKRRQHHQSA-N 2 1 367.519 0.753 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001094221529 843532253 /nfs/dbraw/zinc/53/22/53/843532253.db2.gz PJTJAIGHIMCNDX-VNQPRFMTSA-N 2 1 368.503 0.310 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001094231967 843535939 /nfs/dbraw/zinc/53/59/39/843535939.db2.gz HENLDXYCGDSUPM-NFAWXSAZSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)C1 ZINC001094231967 843535946 /nfs/dbraw/zinc/53/59/46/843535946.db2.gz HENLDXYCGDSUPM-NFAWXSAZSA-N 2 1 353.492 0.443 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)C1 ZINC001094232358 843537021 /nfs/dbraw/zinc/53/70/21/843537021.db2.gz TXZHTFZQQPMQTP-XPKDYRNWSA-N 2 1 351.451 0.283 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nonc3C)[C@H](C)C2)C1 ZINC001094232358 843537031 /nfs/dbraw/zinc/53/70/31/843537031.db2.gz TXZHTFZQQPMQTP-XPKDYRNWSA-N 2 1 351.451 0.283 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)C1 ZINC001094232329 843538129 /nfs/dbraw/zinc/53/81/29/843538129.db2.gz RXXSISBNLKYPLQ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)C1 ZINC001094232329 843538132 /nfs/dbraw/zinc/53/81/32/843538132.db2.gz RXXSISBNLKYPLQ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)C1 ZINC001094232328 843538147 /nfs/dbraw/zinc/53/81/47/843538147.db2.gz RXXSISBNLKYPLQ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)C1 ZINC001094232328 843538151 /nfs/dbraw/zinc/53/81/51/843538151.db2.gz RXXSISBNLKYPLQ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CO[C@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293238 843543147 /nfs/dbraw/zinc/54/31/47/843543147.db2.gz FRPCCUTURGTXKO-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP CO[C@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293238 843543158 /nfs/dbraw/zinc/54/31/58/843543158.db2.gz FRPCCUTURGTXKO-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCO)CC3)C1 ZINC001094496862 843557592 /nfs/dbraw/zinc/55/75/92/843557592.db2.gz JWVVWHVOCARPTB-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCO)CC3)C1 ZINC001094496862 843557596 /nfs/dbraw/zinc/55/75/96/843557596.db2.gz JWVVWHVOCARPTB-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)C1 ZINC001094496862 843557607 /nfs/dbraw/zinc/55/76/07/843557607.db2.gz JWVVWHVOCARPTB-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539074 843799787 /nfs/dbraw/zinc/79/97/87/843799787.db2.gz ULZRIGZMHVIPES-NCOADZHNSA-N 2 1 369.531 0.484 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539074 843799791 /nfs/dbraw/zinc/79/97/91/843799791.db2.gz ULZRIGZMHVIPES-NCOADZHNSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539074 843799796 /nfs/dbraw/zinc/79/97/96/843799796.db2.gz ULZRIGZMHVIPES-NCOADZHNSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001096539074 843799800 /nfs/dbraw/zinc/79/98/00/843799800.db2.gz ULZRIGZMHVIPES-NCOADZHNSA-N 2 1 369.531 0.484 20 0 FCADMP C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404451 843914243 /nfs/dbraw/zinc/91/42/43/843914243.db2.gz NCUUOALTYSDXTD-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404451 843914247 /nfs/dbraw/zinc/91/42/47/843914247.db2.gz NCUUOALTYSDXTD-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@@H](F)CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404451 843914252 /nfs/dbraw/zinc/91/42/52/843914252.db2.gz NCUUOALTYSDXTD-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@@H](F)CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404451 843914257 /nfs/dbraw/zinc/91/42/57/843914257.db2.gz NCUUOALTYSDXTD-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCCO)CC3)C2)CC[N@H+]1C ZINC001098603513 843927360 /nfs/dbraw/zinc/92/73/60/843927360.db2.gz PJVHGUJKZIFQDM-GVDBMIGSSA-N 2 1 353.507 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099223185 843978815 /nfs/dbraw/zinc/97/88/15/843978815.db2.gz ICABBQOHLRPZSI-MGPQQGTHSA-N 2 1 359.396 0.956 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F)C(N)=O ZINC001099274702 844000154 /nfs/dbraw/zinc/00/01/54/844000154.db2.gz RZBPLSBPCAUVAG-IJLUTSLNSA-N 2 1 362.396 0.468 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780752 844646678 /nfs/dbraw/zinc/64/66/78/844646678.db2.gz MSTSPOORXGZLTK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780752 844646684 /nfs/dbraw/zinc/64/66/84/844646684.db2.gz MSTSPOORXGZLTK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780752 844646689 /nfs/dbraw/zinc/64/66/89/844646689.db2.gz MSTSPOORXGZLTK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819638 844653136 /nfs/dbraw/zinc/65/31/36/844653136.db2.gz YCSZFTWAYWMKCS-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819638 844653138 /nfs/dbraw/zinc/65/31/38/844653138.db2.gz YCSZFTWAYWMKCS-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819638 844653140 /nfs/dbraw/zinc/65/31/40/844653140.db2.gz YCSZFTWAYWMKCS-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819638 844653144 /nfs/dbraw/zinc/65/31/44/844653144.db2.gz YCSZFTWAYWMKCS-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374839 844744459 /nfs/dbraw/zinc/74/44/59/844744459.db2.gz MPUWAJAHQFIZJA-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378809 844745923 /nfs/dbraw/zinc/74/59/23/844745923.db2.gz LKLIPIMPLJISMO-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396674 844751356 /nfs/dbraw/zinc/75/13/56/844751356.db2.gz DMFNTJBXXQBLMG-HLLBOEOZSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001103398170 844751430 /nfs/dbraw/zinc/75/14/30/844751430.db2.gz GFJMWBXAMDWTDV-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397084 844751480 /nfs/dbraw/zinc/75/14/80/844751480.db2.gz YVNIOFQZLITSHY-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438473 844758762 /nfs/dbraw/zinc/75/87/62/844758762.db2.gz KWLHZKYUBFVKLS-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001103438473 844758765 /nfs/dbraw/zinc/75/87/65/844758765.db2.gz KWLHZKYUBFVKLS-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001103438473 844758768 /nfs/dbraw/zinc/75/87/68/844758768.db2.gz KWLHZKYUBFVKLS-OAGGEKHMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497709 844768146 /nfs/dbraw/zinc/76/81/46/844768146.db2.gz UQAACVJZGCBYGY-SJLPKXTDSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642003 844793872 /nfs/dbraw/zinc/79/38/72/844793872.db2.gz MIEULZHNWHYCTF-HUUCEWRRSA-N 2 1 365.465 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721190 844806671 /nfs/dbraw/zinc/80/66/71/844806671.db2.gz HCWKSBXTTRULIL-OAGGEKHMSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721190 844806675 /nfs/dbraw/zinc/80/66/75/844806675.db2.gz HCWKSBXTTRULIL-OAGGEKHMSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721190 844806684 /nfs/dbraw/zinc/80/66/84/844806684.db2.gz HCWKSBXTTRULIL-OAGGEKHMSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721039 844806959 /nfs/dbraw/zinc/80/69/59/844806959.db2.gz AIUJMOXAYLHQJN-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721039 844806965 /nfs/dbraw/zinc/80/69/65/844806965.db2.gz AIUJMOXAYLHQJN-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721039 844806967 /nfs/dbraw/zinc/80/69/67/844806967.db2.gz AIUJMOXAYLHQJN-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723635 844808921 /nfs/dbraw/zinc/80/89/21/844808921.db2.gz VEUBHLSMIDEGQE-HZPDHXFCSA-N 2 1 359.536 0.591 20 0 FCADMP CC[C@H](C)N1C[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630412 861507255 /nfs/dbraw/zinc/50/72/55/861507255.db2.gz TYPCVGFWDWPXLT-HKUYNNGSSA-N 2 1 352.523 0.726 20 0 FCADMP CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630206 861507393 /nfs/dbraw/zinc/50/73/93/861507393.db2.gz MGOZQRCYYDPPRE-CGTJXYLNSA-N 2 1 350.507 0.667 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104937782 844961366 /nfs/dbraw/zinc/96/13/66/844961366.db2.gz HIOIJPAHHFWBOZ-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001105007831 844968726 /nfs/dbraw/zinc/96/87/26/844968726.db2.gz GRZOYOKHOHAHLQ-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCF)nn3)C2)CC[N@H+]1C ZINC001105243936 844984097 /nfs/dbraw/zinc/98/40/97/844984097.db2.gz LYBVJPFRLJDLFI-JKSUJKDBSA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CCO)CCC2)O1 ZINC001105544277 844986875 /nfs/dbraw/zinc/98/68/75/844986875.db2.gz GEQUILLCWFOSHJ-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CCO)CCC2)O1 ZINC001105544277 844986879 /nfs/dbraw/zinc/98/68/79/844986879.db2.gz GEQUILLCWFOSHJ-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001105945877 845065277 /nfs/dbraw/zinc/06/52/77/845065277.db2.gz HEGSQYZWSLIWFA-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCCCC(N)=O)C2 ZINC001276671974 861527885 /nfs/dbraw/zinc/52/78/85/861527885.db2.gz SDIINZGWIYYCCT-SFHVURJKSA-N 2 1 354.495 0.145 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106271730 845146038 /nfs/dbraw/zinc/14/60/38/845146038.db2.gz LAFDKOZPYZGSKU-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106271732 845146320 /nfs/dbraw/zinc/14/63/20/845146320.db2.gz LAFDKOZPYZGSKU-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106321926 845154247 /nfs/dbraw/zinc/15/42/47/845154247.db2.gz HSFRDRKHIRMULI-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352291 845161387 /nfs/dbraw/zinc/16/13/87/845161387.db2.gz MLWOYKCGRFDYRJ-MGPQQGTHSA-N 2 1 354.451 0.041 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106581498 845200621 /nfs/dbraw/zinc/20/06/21/845200621.db2.gz FVDJTCPOYVEXCP-FXUDXRNXSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001106666322 845218722 /nfs/dbraw/zinc/21/87/22/845218722.db2.gz KPCXJBWSCDQRPW-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001106673421 845221400 /nfs/dbraw/zinc/22/14/00/845221400.db2.gz YIKVDUJNGONVNA-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106729451 845235950 /nfs/dbraw/zinc/23/59/50/845235950.db2.gz RDHXJVSFMQTBPC-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765413 845247258 /nfs/dbraw/zinc/24/72/58/845247258.db2.gz ANCJJHCPDMHJRV-OIISXLGYSA-N 2 1 352.479 0.663 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765412 845247640 /nfs/dbraw/zinc/24/76/40/845247640.db2.gz ANCJJHCPDMHJRV-DJIMGWMZSA-N 2 1 352.479 0.663 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001106767397 845247708 /nfs/dbraw/zinc/24/77/08/845247708.db2.gz AAKMWYJJUVAESB-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001106840409 845265466 /nfs/dbraw/zinc/26/54/66/845265466.db2.gz LMKJZLYKFZMYGB-HUUCEWRRSA-N 2 1 354.474 0.774 20 0 FCADMP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)no1 ZINC001106880911 845277655 /nfs/dbraw/zinc/27/76/55/845277655.db2.gz QPDYNDDKOYOOIT-UMVBOHGHSA-N 2 1 353.467 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106881319 845278907 /nfs/dbraw/zinc/27/89/07/845278907.db2.gz BTNXCVTXNYHEDR-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106910662 845284830 /nfs/dbraw/zinc/28/48/30/845284830.db2.gz IWMLAEQNHSAHBB-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106907943 845284948 /nfs/dbraw/zinc/28/49/48/845284948.db2.gz JRGCFWHSJGKXTF-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C2)C1 ZINC001107009496 845309638 /nfs/dbraw/zinc/30/96/38/845309638.db2.gz SSBAGGZMKQSKMM-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C2)C1 ZINC001107009496 845309650 /nfs/dbraw/zinc/30/96/50/845309650.db2.gz SSBAGGZMKQSKMM-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107036864 845317470 /nfs/dbraw/zinc/31/74/70/845317470.db2.gz TZLIEFUUJZYRAX-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436782 845373089 /nfs/dbraw/zinc/37/30/89/845373089.db2.gz PPAZGZPYNYVRHS-CRAIPNDOSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436826 845373185 /nfs/dbraw/zinc/37/31/85/845373185.db2.gz SEJNIGAAZMXWLM-LZLYRXPVSA-N 2 1 353.507 0.839 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442776 845374039 /nfs/dbraw/zinc/37/40/39/845374039.db2.gz OZWICXLSMYHKOE-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442776 845374048 /nfs/dbraw/zinc/37/40/48/845374048.db2.gz OZWICXLSMYHKOE-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442776 845374056 /nfs/dbraw/zinc/37/40/56/845374056.db2.gz OZWICXLSMYHKOE-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530410 845391876 /nfs/dbraw/zinc/39/18/76/845391876.db2.gz QABBQRZWQZSDLP-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546935 845396170 /nfs/dbraw/zinc/39/61/70/845396170.db2.gz UCGRLMSLWDIJNY-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546935 845396174 /nfs/dbraw/zinc/39/61/74/845396174.db2.gz UCGRLMSLWDIJNY-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546935 845396179 /nfs/dbraw/zinc/39/61/79/845396179.db2.gz UCGRLMSLWDIJNY-GPMSIDNRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609524 845407493 /nfs/dbraw/zinc/40/74/93/845407493.db2.gz VXIDBDMPFDHIJX-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609524 845407499 /nfs/dbraw/zinc/40/74/99/845407499.db2.gz VXIDBDMPFDHIJX-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609524 845407506 /nfs/dbraw/zinc/40/75/06/845407506.db2.gz VXIDBDMPFDHIJX-GPMSIDNRSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C12CC[NH+](CC1)C2 ZINC001107608337 845408146 /nfs/dbraw/zinc/40/81/46/845408146.db2.gz NBALTIZPZNQMSQ-SJLPKXTDSA-N 2 1 351.491 0.452 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001276744300 861573507 /nfs/dbraw/zinc/57/35/07/861573507.db2.gz SJKPIKUCURGWPY-KRWDZBQOSA-N 2 1 368.503 0.632 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)O1 ZINC001109442698 845655036 /nfs/dbraw/zinc/65/50/36/845655036.db2.gz BTKQMEZXXYYAKW-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)O1 ZINC001109442698 845655041 /nfs/dbraw/zinc/65/50/41/845655041.db2.gz BTKQMEZXXYYAKW-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)O1 ZINC001109442698 845655048 /nfs/dbraw/zinc/65/50/48/845655048.db2.gz BTKQMEZXXYYAKW-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)O1 ZINC001109442698 845655054 /nfs/dbraw/zinc/65/50/54/845655054.db2.gz BTKQMEZXXYYAKW-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652613 845705272 /nfs/dbraw/zinc/70/52/72/845705272.db2.gz BVUPPEQWIKHZQC-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652613 845705278 /nfs/dbraw/zinc/70/52/78/845705278.db2.gz BVUPPEQWIKHZQC-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109671444 845711101 /nfs/dbraw/zinc/71/11/01/845711101.db2.gz JIFGCZJTLWIITO-PMPSAXMXSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109671444 845711106 /nfs/dbraw/zinc/71/11/06/845711106.db2.gz JIFGCZJTLWIITO-PMPSAXMXSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)(F)F ZINC001109980113 845772247 /nfs/dbraw/zinc/77/22/47/845772247.db2.gz JBGAABFBMYMTIY-RDBSUJKOSA-N 2 1 367.412 0.865 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC(F)(F)F ZINC001109980113 845772250 /nfs/dbraw/zinc/77/22/50/845772250.db2.gz JBGAABFBMYMTIY-RDBSUJKOSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002792 845774681 /nfs/dbraw/zinc/77/46/81/845774681.db2.gz VKPNOFIHWYIUIU-CRWXNKLISA-N 2 1 353.467 0.023 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002792 845774688 /nfs/dbraw/zinc/77/46/88/845774688.db2.gz VKPNOFIHWYIUIU-CRWXNKLISA-N 2 1 353.467 0.023 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001110102175 845789698 /nfs/dbraw/zinc/78/96/98/845789698.db2.gz WCHIZJVAZRHVLR-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001110102175 845789700 /nfs/dbraw/zinc/78/97/00/845789700.db2.gz WCHIZJVAZRHVLR-BDXSIMOUSA-N 2 1 351.491 0.999 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103450 845791477 /nfs/dbraw/zinc/79/14/77/845791477.db2.gz VCEBGEPVFVLILL-OWSLCNJRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103450 845791484 /nfs/dbraw/zinc/79/14/84/845791484.db2.gz VCEBGEPVFVLILL-OWSLCNJRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001110157559 845807464 /nfs/dbraw/zinc/80/74/64/845807464.db2.gz VBENEJNZWFSZGF-ILXRZTDVSA-N 2 1 350.463 0.197 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001110157559 845807472 /nfs/dbraw/zinc/80/74/72/845807472.db2.gz VBENEJNZWFSZGF-ILXRZTDVSA-N 2 1 350.463 0.197 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110157559 845807486 /nfs/dbraw/zinc/80/74/86/845807486.db2.gz VBENEJNZWFSZGF-ILXRZTDVSA-N 2 1 350.463 0.197 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110157559 845807496 /nfs/dbraw/zinc/80/74/96/845807496.db2.gz VBENEJNZWFSZGF-ILXRZTDVSA-N 2 1 350.463 0.197 20 0 FCADMP COC(CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O)OC ZINC001276794360 861610289 /nfs/dbraw/zinc/61/02/89/861610289.db2.gz IAAOYNNZPUSLFC-KDOFPFPSSA-N 2 1 357.495 0.279 20 0 FCADMP CCOCCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276795277 861611110 /nfs/dbraw/zinc/61/11/10/861611110.db2.gz YFNAGVZDMCAWJZ-CVEARBPZSA-N 2 1 355.523 0.990 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCCC1 ZINC001110565908 845920696 /nfs/dbraw/zinc/92/06/96/845920696.db2.gz ROMQJKFWCZVHOF-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001110716332 845954935 /nfs/dbraw/zinc/95/49/35/845954935.db2.gz YDDKZYPABBUDFK-FPCVCCKLSA-N 2 1 353.511 0.756 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C)[NH+](C)C ZINC001110716332 845954941 /nfs/dbraw/zinc/95/49/41/845954941.db2.gz YDDKZYPABBUDFK-FPCVCCKLSA-N 2 1 353.511 0.756 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001110981673 846007198 /nfs/dbraw/zinc/00/71/98/846007198.db2.gz YBEYWEKNTAQKLF-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)C1 ZINC001110981673 846007206 /nfs/dbraw/zinc/00/72/06/846007206.db2.gz YBEYWEKNTAQKLF-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976493 846007552 /nfs/dbraw/zinc/00/75/52/846007552.db2.gz OJZLZPWFJNQYKY-DZUCGIPZSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976493 846007553 /nfs/dbraw/zinc/00/75/53/846007553.db2.gz OJZLZPWFJNQYKY-DZUCGIPZSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC ZINC001111169402 846053994 /nfs/dbraw/zinc/05/39/94/846053994.db2.gz RNHGZKOVEQDNED-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001111169402 846053999 /nfs/dbraw/zinc/05/39/99/846053999.db2.gz RNHGZKOVEQDNED-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@H]1CC1(F)F ZINC001111279500 846076032 /nfs/dbraw/zinc/07/60/32/846076032.db2.gz CESBRCYXCODGDX-KBXIAJHMSA-N 2 1 361.433 0.710 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@H]1CC1(F)F ZINC001111279500 846076037 /nfs/dbraw/zinc/07/60/37/846076037.db2.gz CESBRCYXCODGDX-KBXIAJHMSA-N 2 1 361.433 0.710 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001111312420 846084751 /nfs/dbraw/zinc/08/47/51/846084751.db2.gz GFDOPJLGYOJDBC-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001111312420 846084756 /nfs/dbraw/zinc/08/47/56/846084756.db2.gz GFDOPJLGYOJDBC-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001111312420 846084763 /nfs/dbraw/zinc/08/47/63/846084763.db2.gz GFDOPJLGYOJDBC-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001111312420 846084771 /nfs/dbraw/zinc/08/47/71/846084771.db2.gz GFDOPJLGYOJDBC-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111782614 846202899 /nfs/dbraw/zinc/20/28/99/846202899.db2.gz QJMSRKUESRJHOH-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111782614 846202911 /nfs/dbraw/zinc/20/29/11/846202911.db2.gz QJMSRKUESRJHOH-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111782614 846202917 /nfs/dbraw/zinc/20/29/17/846202917.db2.gz QJMSRKUESRJHOH-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821629 846222193 /nfs/dbraw/zinc/22/21/93/846222193.db2.gz ZSLKCERGJNYYIH-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001111861275 846234511 /nfs/dbraw/zinc/23/45/11/846234511.db2.gz FGZSNJGYFZOCCB-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001111861275 846234522 /nfs/dbraw/zinc/23/45/22/846234522.db2.gz FGZSNJGYFZOCCB-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C2 ZINC001111861359 846234973 /nfs/dbraw/zinc/23/49/73/846234973.db2.gz JGQUFPDNLXTKDB-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873041 846239686 /nfs/dbraw/zinc/23/96/86/846239686.db2.gz GQVFWTUZKVLGOE-FCEWJHQRSA-N 2 1 355.523 0.942 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873041 846239692 /nfs/dbraw/zinc/23/96/92/846239692.db2.gz GQVFWTUZKVLGOE-FCEWJHQRSA-N 2 1 355.523 0.942 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873041 846239699 /nfs/dbraw/zinc/23/96/99/846239699.db2.gz GQVFWTUZKVLGOE-FCEWJHQRSA-N 2 1 355.523 0.942 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870833 846240341 /nfs/dbraw/zinc/24/03/41/846240341.db2.gz PIWOVEFGOMPWFR-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870833 846240357 /nfs/dbraw/zinc/24/03/57/846240357.db2.gz PIWOVEFGOMPWFR-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870833 846240363 /nfs/dbraw/zinc/24/03/63/846240363.db2.gz PIWOVEFGOMPWFR-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H](COCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCO)C2)[NH+]1CCCC1 ZINC001111875786 846242346 /nfs/dbraw/zinc/24/23/46/846242346.db2.gz DOAZMHZIFUSJAA-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111926789 846263275 /nfs/dbraw/zinc/26/32/75/846263275.db2.gz IULPFDQYLGIFDO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111926789 846263286 /nfs/dbraw/zinc/26/32/86/846263286.db2.gz IULPFDQYLGIFDO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111926789 846263294 /nfs/dbraw/zinc/26/32/94/846263294.db2.gz IULPFDQYLGIFDO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111926789 846263305 /nfs/dbraw/zinc/26/33/05/846263305.db2.gz IULPFDQYLGIFDO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111927109 846264249 /nfs/dbraw/zinc/26/42/49/846264249.db2.gz ZOHDRVLEBMIBEM-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111927109 846264267 /nfs/dbraw/zinc/26/42/67/846264267.db2.gz ZOHDRVLEBMIBEM-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111927109 846264277 /nfs/dbraw/zinc/26/42/77/846264277.db2.gz ZOHDRVLEBMIBEM-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938206 846267816 /nfs/dbraw/zinc/26/78/16/846267816.db2.gz QCUNOPXASZPKGC-YJBOKZPZSA-N 2 1 369.531 0.488 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938206 846267828 /nfs/dbraw/zinc/26/78/28/846267828.db2.gz QCUNOPXASZPKGC-YJBOKZPZSA-N 2 1 369.531 0.488 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCNC1=O)C2 ZINC001111950995 846271185 /nfs/dbraw/zinc/27/11/85/846271185.db2.gz NPARXJVZNMHBBK-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001111950995 846271193 /nfs/dbraw/zinc/27/11/93/846271193.db2.gz NPARXJVZNMHBBK-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111950995 846271202 /nfs/dbraw/zinc/27/12/02/846271202.db2.gz NPARXJVZNMHBBK-BXWFABGCSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001111949261 846271968 /nfs/dbraw/zinc/27/19/68/846271968.db2.gz WCBBHQSPGYQRIT-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001111949261 846271978 /nfs/dbraw/zinc/27/19/78/846271978.db2.gz WCBBHQSPGYQRIT-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111983133 846279725 /nfs/dbraw/zinc/27/97/25/846279725.db2.gz COKZMHQGGDEBRF-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCS(C)(=O)=O)C3)C1 ZINC001111983133 846279737 /nfs/dbraw/zinc/27/97/37/846279737.db2.gz COKZMHQGGDEBRF-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111983133 846279744 /nfs/dbraw/zinc/27/97/44/846279744.db2.gz COKZMHQGGDEBRF-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)C1 ZINC001111983133 846279752 /nfs/dbraw/zinc/27/97/52/846279752.db2.gz COKZMHQGGDEBRF-VYDXJSESSA-N 2 1 357.520 0.344 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070678 846348341 /nfs/dbraw/zinc/34/83/41/846348341.db2.gz APTIXVCVUGHFJQ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070678 846348352 /nfs/dbraw/zinc/34/83/52/846348352.db2.gz APTIXVCVUGHFJQ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100401 846379586 /nfs/dbraw/zinc/37/95/86/846379586.db2.gz BYBOOMCNVGNAAG-UPJWGTAASA-N 2 1 364.412 0.584 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100401 846379597 /nfs/dbraw/zinc/37/95/97/846379597.db2.gz BYBOOMCNVGNAAG-UPJWGTAASA-N 2 1 364.412 0.584 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CCCC1 ZINC001112137808 846410944 /nfs/dbraw/zinc/41/09/44/846410944.db2.gz FRJSPRNUOQPMPA-VXGBXAGGSA-N 2 1 364.412 0.715 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112143158 846415285 /nfs/dbraw/zinc/41/52/85/846415285.db2.gz LJBBNLMUJFGNTJ-FDYHWXHSSA-N 2 1 353.385 0.067 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154518 846422278 /nfs/dbraw/zinc/42/22/78/846422278.db2.gz OYCCEEJSRGDNJT-CHWSQXEVSA-N 2 1 362.400 0.636 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112179027 846439117 /nfs/dbraw/zinc/43/91/17/846439117.db2.gz QOJWJJKLYXAYFD-BFHYXJOUSA-N 2 1 367.412 0.723 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178929 846439373 /nfs/dbraw/zinc/43/93/73/846439373.db2.gz MJDIHXOYRSHMFC-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112181962 846441619 /nfs/dbraw/zinc/44/16/19/846441619.db2.gz GQMRUVCDVMSWGJ-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112190337 846450627 /nfs/dbraw/zinc/45/06/27/846450627.db2.gz WPWPVGLTWIJPPQ-CHWSQXEVSA-N 2 1 355.401 0.316 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001112198414 846456698 /nfs/dbraw/zinc/45/66/98/846456698.db2.gz UMUKJKFTQKVUBK-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001112198414 846456708 /nfs/dbraw/zinc/45/67/08/846456708.db2.gz UMUKJKFTQKVUBK-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198280 846457119 /nfs/dbraw/zinc/45/71/19/846457119.db2.gz MFZVOMSMCGTZPD-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198280 846457121 /nfs/dbraw/zinc/45/71/21/846457121.db2.gz MFZVOMSMCGTZPD-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001112212313 846469977 /nfs/dbraw/zinc/46/99/77/846469977.db2.gz YSJRCFXJUGQGRR-FRRDWIJNSA-N 2 1 364.412 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001112359651 846497259 /nfs/dbraw/zinc/49/72/59/846497259.db2.gz CRBDTMWNBLAZNQ-OLMMMNRUSA-N 2 1 350.507 0.633 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112428542 846503244 /nfs/dbraw/zinc/50/32/44/846503244.db2.gz LAASIBSOGUZHFJ-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)no1 ZINC001112442096 846504955 /nfs/dbraw/zinc/50/49/55/846504955.db2.gz JRBRVKHGHCJRDM-KSSFIOAISA-N 2 1 350.463 0.951 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112515089 846512671 /nfs/dbraw/zinc/51/26/71/846512671.db2.gz UVBAKWZDPQDFQC-BXWFABGCSA-N 2 1 350.507 0.812 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112529723 846516597 /nfs/dbraw/zinc/51/65/97/846516597.db2.gz MCDQSZYHRNMNRN-GJYPPUQNSA-N 2 1 350.507 0.635 20 0 FCADMP COCCOC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276914366 861686383 /nfs/dbraw/zinc/68/63/83/861686383.db2.gz ODQYMVRCCACOHX-QGZVFWFLSA-N 2 1 350.419 0.345 20 0 FCADMP COCCOCN1CCC[C@@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276914366 861686391 /nfs/dbraw/zinc/68/63/91/861686391.db2.gz ODQYMVRCCACOHX-QGZVFWFLSA-N 2 1 350.419 0.345 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563129 846525188 /nfs/dbraw/zinc/52/51/88/846525188.db2.gz GVWPUSSJWMOSIG-GJYPPUQNSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC4CCC4)C[C@H]32)O1 ZINC001114453919 846551659 /nfs/dbraw/zinc/55/16/59/846551659.db2.gz SODBAFBBKHGWIU-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCC4CCC4)C[C@H]32)O1 ZINC001114453919 846551637 /nfs/dbraw/zinc/55/16/37/846551637.db2.gz SODBAFBBKHGWIU-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCC4CCC4)C[C@H]32)O1 ZINC001114453919 846551643 /nfs/dbraw/zinc/55/16/43/846551643.db2.gz SODBAFBBKHGWIU-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC4CCC4)C[C@H]32)O1 ZINC001114453919 846551651 /nfs/dbraw/zinc/55/16/51/846551651.db2.gz SODBAFBBKHGWIU-LHKMKVQPSA-N 2 1 351.491 0.569 20 0 FCADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594177 846563163 /nfs/dbraw/zinc/56/31/63/846563163.db2.gz XCPIUJWBMUZBRS-OWCLPIDISA-N 2 1 357.495 0.122 20 0 FCADMP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594177 846563175 /nfs/dbraw/zinc/56/31/75/846563175.db2.gz XCPIUJWBMUZBRS-OWCLPIDISA-N 2 1 357.495 0.122 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001116331345 846657394 /nfs/dbraw/zinc/65/73/94/846657394.db2.gz BVYFIIJAIMKXQR-UHFFFAOYSA-N 2 1 350.467 0.326 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714335 846744451 /nfs/dbraw/zinc/74/44/51/846744451.db2.gz DFQVOZWNOAMQIV-KGLIPLIRSA-N 2 1 350.467 0.182 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCCCS(C)(=O)=O)C2)CC1 ZINC001118163515 847304243 /nfs/dbraw/zinc/30/42/43/847304243.db2.gz AOYGFHPASAZECH-CQSZACIVSA-N 2 1 360.524 0.279 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCCCS(C)(=O)=O)C2)CC1 ZINC001118163514 847304934 /nfs/dbraw/zinc/30/49/34/847304934.db2.gz AOYGFHPASAZECH-AWEZNQCLSA-N 2 1 360.524 0.279 20 0 FCADMP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001120502849 848223513 /nfs/dbraw/zinc/22/35/13/848223513.db2.gz GEGXAMAWLKQJFH-QAPCUYQASA-N 2 1 352.431 0.259 20 0 FCADMP C[N@@H+](CCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC001120503959 848224628 /nfs/dbraw/zinc/22/46/28/848224628.db2.gz CTNIJWWBQOWASH-OAHLLOKOSA-N 2 1 352.479 0.845 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@H](C)C(=O)NC)C3)CC[N@H+]1C ZINC001121133893 848321224 /nfs/dbraw/zinc/32/12/24/848321224.db2.gz KFERHVLGDLALLP-RZNHZXBGSA-N 2 1 350.507 0.868 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H](C)C(=O)NC)C3)CC[N@H+]1C ZINC001121133892 848321324 /nfs/dbraw/zinc/32/13/24/848321324.db2.gz KFERHVLGDLALLP-CTJQGSHISA-N 2 1 350.507 0.868 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810718 848397393 /nfs/dbraw/zinc/39/73/93/848397393.db2.gz NSSTTZSCXNAGOV-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643858 848730209 /nfs/dbraw/zinc/73/02/09/848730209.db2.gz OEAXNOBLHIOBHL-ZIAGYGMSSA-N 2 1 350.467 0.278 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)CC[N@H+]1C ZINC001127643890 848730502 /nfs/dbraw/zinc/73/05/02/848730502.db2.gz QEAIFZDKGLATRS-UKRRQHHQSA-N 2 1 352.504 0.453 20 0 FCADMP Cc1ccsc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690171 848732843 /nfs/dbraw/zinc/73/28/43/848732843.db2.gz DZYYDMJGLCBSBS-ZIAGYGMSSA-N 2 1 352.504 0.719 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)cc2F)CC[N@H+]1C ZINC001127690805 848732882 /nfs/dbraw/zinc/73/28/82/848732882.db2.gz UOYMWWOQKBVORI-DGCLKSJQSA-N 2 1 354.401 0.949 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052796 848801212 /nfs/dbraw/zinc/80/12/12/848801212.db2.gz NABYIPUFDFCRHO-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052796 848801215 /nfs/dbraw/zinc/80/12/15/848801215.db2.gz NABYIPUFDFCRHO-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052796 848801217 /nfs/dbraw/zinc/80/12/17/848801217.db2.gz NABYIPUFDFCRHO-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205012 848818156 /nfs/dbraw/zinc/81/81/56/848818156.db2.gz NYQLSJCSWZPOLY-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228251 848819065 /nfs/dbraw/zinc/81/90/65/848819065.db2.gz KFEPPYHOHQSENN-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321323 848831330 /nfs/dbraw/zinc/83/13/30/848831330.db2.gz KIFHEUFJWPHAEN-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321323 848831334 /nfs/dbraw/zinc/83/13/34/848831334.db2.gz KIFHEUFJWPHAEN-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129337843 848832771 /nfs/dbraw/zinc/83/27/71/848832771.db2.gz ZSPMTOAZBGFAEQ-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369784 848835006 /nfs/dbraw/zinc/83/50/06/848835006.db2.gz GDVWXZYWHTYNBQ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369784 848835014 /nfs/dbraw/zinc/83/50/14/848835014.db2.gz GDVWXZYWHTYNBQ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369784 848835019 /nfs/dbraw/zinc/83/50/19/848835019.db2.gz GDVWXZYWHTYNBQ-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129369552 848835244 /nfs/dbraw/zinc/83/52/44/848835244.db2.gz ABENHKCWDXFMBV-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129369552 848835249 /nfs/dbraw/zinc/83/52/49/848835249.db2.gz ABENHKCWDXFMBV-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129369552 848835258 /nfs/dbraw/zinc/83/52/58/848835258.db2.gz ABENHKCWDXFMBV-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129369552 848835264 /nfs/dbraw/zinc/83/52/64/848835264.db2.gz ABENHKCWDXFMBV-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433777 848844096 /nfs/dbraw/zinc/84/40/96/848844096.db2.gz RGMZAMXYLOABLD-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433777 848844102 /nfs/dbraw/zinc/84/41/02/848844102.db2.gz RGMZAMXYLOABLD-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129685696 848881444 /nfs/dbraw/zinc/88/14/44/848881444.db2.gz SEVINKJXSNZELH-AGIUHOORSA-N 2 1 360.384 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129858179 848902918 /nfs/dbraw/zinc/90/29/18/848902918.db2.gz QOHUDCLEEFQCHA-UTVAWUEASA-N 2 1 352.870 0.712 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007618 848929518 /nfs/dbraw/zinc/92/95/18/848929518.db2.gz NPPDOIFIVSLMNQ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132782 848948972 /nfs/dbraw/zinc/94/89/72/848948972.db2.gz OVHLMZKDNMPDPE-QYIDVODDSA-N 2 1 368.869 0.093 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132782 848948981 /nfs/dbraw/zinc/94/89/81/848948981.db2.gz OVHLMZKDNMPDPE-QYIDVODDSA-N 2 1 368.869 0.093 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137429 848951446 /nfs/dbraw/zinc/95/14/46/848951446.db2.gz YZUXIXMLDRMYQK-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130220835 848978849 /nfs/dbraw/zinc/97/88/49/848978849.db2.gz NOZZUCVOUJJJIF-MJBXVCDLSA-N 2 1 352.483 0.633 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130221109 848979217 /nfs/dbraw/zinc/97/92/17/848979217.db2.gz VDWMAJLWIPWWET-YDHLFZDLSA-N 2 1 350.467 0.243 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131101104 849079699 /nfs/dbraw/zinc/07/96/99/849079699.db2.gz MUVFIZUJKFBPBM-BZUAXINKSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313298 849095449 /nfs/dbraw/zinc/09/54/49/849095449.db2.gz NCDXPOIRRNDMKN-OAGGEKHMSA-N 2 1 352.479 0.844 20 0 FCADMP COC[C@]12COC[C@H]1C[N@@H+](Cc1cnc(N3CCN(C)CC3)s1)C2 ZINC001139323862 849335865 /nfs/dbraw/zinc/33/58/65/849335865.db2.gz NAVRZSLJWFYHFM-RHSMWYFYSA-N 2 1 352.504 0.990 20 0 FCADMP COC[C@]12COC[C@H]1C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)s1)C2 ZINC001139323862 849335877 /nfs/dbraw/zinc/33/58/77/849335877.db2.gz NAVRZSLJWFYHFM-RHSMWYFYSA-N 2 1 352.504 0.990 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582874 849585617 /nfs/dbraw/zinc/58/56/17/849585617.db2.gz HCAFXVJOXRIUDX-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582874 849585623 /nfs/dbraw/zinc/58/56/23/849585623.db2.gz HCAFXVJOXRIUDX-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582874 849585630 /nfs/dbraw/zinc/58/56/30/849585630.db2.gz HCAFXVJOXRIUDX-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452640 849746142 /nfs/dbraw/zinc/74/61/42/849746142.db2.gz UMMUHQHCRWZEOT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452640 849746145 /nfs/dbraw/zinc/74/61/45/849746145.db2.gz UMMUHQHCRWZEOT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452640 849746150 /nfs/dbraw/zinc/74/61/50/849746150.db2.gz UMMUHQHCRWZEOT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452640 849746153 /nfs/dbraw/zinc/74/61/53/849746153.db2.gz UMMUHQHCRWZEOT-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761364 862056558 /nfs/dbraw/zinc/05/65/58/862056558.db2.gz MKDRUPHCCCKWSX-LJQANCHMSA-N 2 1 352.523 0.462 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761364 862056568 /nfs/dbraw/zinc/05/65/68/862056568.db2.gz MKDRUPHCCCKWSX-LJQANCHMSA-N 2 1 352.523 0.462 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761364 862056582 /nfs/dbraw/zinc/05/65/82/862056582.db2.gz MKDRUPHCCCKWSX-LJQANCHMSA-N 2 1 352.523 0.462 20 0 FCADMP CN1CCc2nc(Cl)nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c2C1 ZINC001155382814 849850656 /nfs/dbraw/zinc/85/06/56/849850656.db2.gz OUVGTLAOWVEACM-ZDUSSCGKSA-N 2 1 350.898 0.977 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C ZINC001157082689 849945430 /nfs/dbraw/zinc/94/54/30/849945430.db2.gz NPJGSDRPRWJFJE-XBFCOCLRSA-N 2 1 354.451 0.792 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001158379535 850041270 /nfs/dbraw/zinc/04/12/70/850041270.db2.gz BQPIJUYTVOJRGW-IJLUTSLNSA-N 2 1 352.401 0.490 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@H+]1C ZINC001158403484 850047350 /nfs/dbraw/zinc/04/73/50/850047350.db2.gz IWIULBSERVJORM-HZSPNIEDSA-N 2 1 369.428 0.752 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001158404815 850047416 /nfs/dbraw/zinc/04/74/16/850047416.db2.gz ZJRDLSUWPDSDQK-HRCADAONSA-N 2 1 359.536 0.637 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001158404241 850047821 /nfs/dbraw/zinc/04/78/21/850047821.db2.gz SJHYRUKCAHLWIP-LSDHHAIUSA-N 2 1 355.527 0.910 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001158412587 850047983 /nfs/dbraw/zinc/04/79/83/850047983.db2.gz QCXBVBXQJYKKOL-UONOGXRCSA-N 2 1 367.519 0.932 20 0 FCADMP CC(=O)OC[C@H](N)C(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001158698593 850068003 /nfs/dbraw/zinc/06/80/03/850068003.db2.gz PPYIRSNGGXJJQD-AWEZNQCLSA-N 2 1 351.451 0.301 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001158855206 850081823 /nfs/dbraw/zinc/08/18/23/850081823.db2.gz FZJMWZYODNDZPY-RZFZLAGVSA-N 2 1 355.508 0.231 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159908870 850145004 /nfs/dbraw/zinc/14/50/04/850145004.db2.gz KQQRZTAMPWPNSK-QVHKTLOISA-N 2 1 354.476 0.342 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCCCC1 ZINC001160857314 850206896 /nfs/dbraw/zinc/20/68/96/850206896.db2.gz FARDNZJYUTXKJS-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCCCC1 ZINC001160857314 850206902 /nfs/dbraw/zinc/20/69/02/850206902.db2.gz FARDNZJYUTXKJS-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CCCC1 ZINC001160857554 850207273 /nfs/dbraw/zinc/20/72/73/850207273.db2.gz KDTGPZIWOZQAQL-IJEWVQPXSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CCCC1 ZINC001160857554 850207282 /nfs/dbraw/zinc/20/72/82/850207282.db2.gz KDTGPZIWOZQAQL-IJEWVQPXSA-N 2 1 354.495 0.249 20 0 FCADMP O=C([C@@H]1[NH2+]CCS1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196258 850239133 /nfs/dbraw/zinc/23/91/33/850239133.db2.gz BEKCHYUVNLYQAQ-MRXNPFEDSA-N 2 1 356.536 0.199 20 0 FCADMP C[NH+]1CCC(N(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C2CCCC2)CC1 ZINC001161454542 850260121 /nfs/dbraw/zinc/26/01/21/850260121.db2.gz WYXJTOIJUUYJPT-GOSISDBHSA-N 2 1 351.539 0.602 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H](N)Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001161444724 850260145 /nfs/dbraw/zinc/26/01/45/850260145.db2.gz KPSGBEUUDBEBIF-SJORKVTESA-N 2 1 354.445 0.977 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161518027 850266679 /nfs/dbraw/zinc/26/66/79/850266679.db2.gz XMLCNXKMWNLOHG-INIZCTEOSA-N 2 1 350.438 0.609 20 0 FCADMP CCOC(=O)c1sc2[nH]c(C[NH+](C)C)nc(=NOCC[NH3+])c2c1C ZINC001164414182 850411455 /nfs/dbraw/zinc/41/14/55/850411455.db2.gz DAJXAUQJGRNQLY-UHFFFAOYSA-N 2 1 353.448 0.962 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001165727545 850454030 /nfs/dbraw/zinc/45/40/30/850454030.db2.gz CTACKORVUXDFPQ-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)N(C)C ZINC001165727545 850454035 /nfs/dbraw/zinc/45/40/35/850454035.db2.gz CTACKORVUXDFPQ-QLFBSQMISA-N 2 1 354.495 0.058 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169133188 850607471 /nfs/dbraw/zinc/60/74/71/850607471.db2.gz CPZFORLUCRIWMB-FICVDOATSA-N 2 1 367.519 0.416 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]2COC[C@H]12 ZINC001172116512 850704542 /nfs/dbraw/zinc/70/45/42/850704542.db2.gz FNEPYGSFKAQLPU-YPLQCARHSA-N 2 1 351.491 0.806 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]2COC[C@H]12 ZINC001172116512 850704550 /nfs/dbraw/zinc/70/45/50/850704550.db2.gz FNEPYGSFKAQLPU-YPLQCARHSA-N 2 1 351.491 0.806 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]2COC[C@H]12 ZINC001172116512 850704555 /nfs/dbraw/zinc/70/45/55/850704555.db2.gz FNEPYGSFKAQLPU-YPLQCARHSA-N 2 1 351.491 0.806 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)O1 ZINC001172119057 850704581 /nfs/dbraw/zinc/70/45/81/850704581.db2.gz RXRCSVJKDWNFJB-YRDXOGEASA-N 2 1 351.491 0.996 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)O1 ZINC001172119057 850704589 /nfs/dbraw/zinc/70/45/89/850704589.db2.gz RXRCSVJKDWNFJB-YRDXOGEASA-N 2 1 351.491 0.996 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)O1 ZINC001172119057 850704596 /nfs/dbraw/zinc/70/45/96/850704596.db2.gz RXRCSVJKDWNFJB-YRDXOGEASA-N 2 1 351.491 0.996 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173570881 850727713 /nfs/dbraw/zinc/72/77/13/850727713.db2.gz RMTONFGJHMYOSY-DBHUPMKQSA-N 2 1 354.447 0.698 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001178523086 850905063 /nfs/dbraw/zinc/90/50/63/850905063.db2.gz SZFSKWXTLKGQIJ-HZPDHXFCSA-N 2 1 353.511 0.618 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810309 850932494 /nfs/dbraw/zinc/93/24/94/850932494.db2.gz BRKNXUADLKZRRH-HZPDHXFCSA-N 2 1 356.511 0.496 20 0 FCADMP CC(C)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810309 850932504 /nfs/dbraw/zinc/93/25/04/850932504.db2.gz BRKNXUADLKZRRH-HZPDHXFCSA-N 2 1 356.511 0.496 20 0 FCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001179017294 850946424 /nfs/dbraw/zinc/94/64/24/850946424.db2.gz GWWJYQVLBUMWIN-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525314 851117628 /nfs/dbraw/zinc/11/76/28/851117628.db2.gz IIYNHRCSIYHPNH-YKTARERQSA-N 2 1 352.523 0.879 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C34CC[NH+](CC3)CC4)CC[C@@H]2C1 ZINC001181548684 851120663 /nfs/dbraw/zinc/12/06/63/851120663.db2.gz HFIATHIFURINEV-IAGOWNOFSA-N 2 1 351.491 0.668 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CC[NH+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976417 851143394 /nfs/dbraw/zinc/14/33/94/851143394.db2.gz FZWJAGWGAGAPLD-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976417 851143400 /nfs/dbraw/zinc/14/34/00/851143400.db2.gz FZWJAGWGAGAPLD-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CCO[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C(C)C)C3)CC[C@@H]2C1 ZINC001181976417 851143407 /nfs/dbraw/zinc/14/34/07/851143407.db2.gz FZWJAGWGAGAPLD-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186383396 851430188 /nfs/dbraw/zinc/43/01/88/851430188.db2.gz XPKYEDYXWOHSLK-IXDOHACOSA-N 2 1 353.507 0.554 20 0 FCADMP CCS(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958410 851631405 /nfs/dbraw/zinc/63/14/05/851631405.db2.gz UGKKJMLROWNKDY-YYIAUSFCSA-N 2 1 371.547 0.684 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958410 851631415 /nfs/dbraw/zinc/63/14/15/851631415.db2.gz UGKKJMLROWNKDY-YYIAUSFCSA-N 2 1 371.547 0.684 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958410 851631425 /nfs/dbraw/zinc/63/14/25/851631425.db2.gz UGKKJMLROWNKDY-YYIAUSFCSA-N 2 1 371.547 0.684 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958410 851631434 /nfs/dbraw/zinc/63/14/34/851631434.db2.gz UGKKJMLROWNKDY-YYIAUSFCSA-N 2 1 371.547 0.684 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958410 851631447 /nfs/dbraw/zinc/63/14/47/851631447.db2.gz UGKKJMLROWNKDY-YYIAUSFCSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001188205790 851658659 /nfs/dbraw/zinc/65/86/59/851658659.db2.gz XSXBYTNIDVUBKL-RCCFBDPRSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188205790 851658661 /nfs/dbraw/zinc/65/86/61/851658661.db2.gz XSXBYTNIDVUBKL-RCCFBDPRSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188205790 851658663 /nfs/dbraw/zinc/65/86/63/851658663.db2.gz XSXBYTNIDVUBKL-RCCFBDPRSA-N 2 1 353.507 0.791 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219312 851659715 /nfs/dbraw/zinc/65/97/15/851659715.db2.gz LWQJTTKPTNVWGH-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219312 851659721 /nfs/dbraw/zinc/65/97/21/851659721.db2.gz LWQJTTKPTNVWGH-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219312 851659723 /nfs/dbraw/zinc/65/97/23/851659723.db2.gz LWQJTTKPTNVWGH-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219312 851659728 /nfs/dbraw/zinc/65/97/28/851659728.db2.gz LWQJTTKPTNVWGH-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001188962485 851738001 /nfs/dbraw/zinc/73/80/01/851738001.db2.gz ANFZRXFHIZAYEK-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188962801 851738151 /nfs/dbraw/zinc/73/81/51/851738151.db2.gz GJRZWXMCEJQGBD-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979204 851739198 /nfs/dbraw/zinc/73/91/98/851739198.db2.gz LAIDKAUMYUIJIN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979204 851739205 /nfs/dbraw/zinc/73/92/05/851739205.db2.gz LAIDKAUMYUIJIN-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001188979205 851739570 /nfs/dbraw/zinc/73/95/70/851739570.db2.gz LDAKFYLFNXKTIX-DLBZAZTESA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189054264 851746513 /nfs/dbraw/zinc/74/65/13/851746513.db2.gz BHWKUKQTECYNRQ-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062317 851747111 /nfs/dbraw/zinc/74/71/11/851747111.db2.gz RMJNSCVBDISKEY-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126913 851754866 /nfs/dbraw/zinc/75/48/66/851754866.db2.gz NTAFTCYCPUOACF-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126913 851754870 /nfs/dbraw/zinc/75/48/70/851754870.db2.gz NTAFTCYCPUOACF-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126913 851754876 /nfs/dbraw/zinc/75/48/76/851754876.db2.gz NTAFTCYCPUOACF-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126913 851754884 /nfs/dbraw/zinc/75/48/84/851754884.db2.gz NTAFTCYCPUOACF-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126362 851755469 /nfs/dbraw/zinc/75/54/69/851755469.db2.gz FYIHGXVPMKHFAW-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126362 851755475 /nfs/dbraw/zinc/75/54/75/851755475.db2.gz FYIHGXVPMKHFAW-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126362 851755479 /nfs/dbraw/zinc/75/54/79/851755479.db2.gz FYIHGXVPMKHFAW-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126362 851755486 /nfs/dbraw/zinc/75/54/86/851755486.db2.gz FYIHGXVPMKHFAW-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801223 851825262 /nfs/dbraw/zinc/82/52/62/851825262.db2.gz CBHHJIKPHUKTOV-LSDHHAIUSA-N 2 1 355.504 0.050 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801223 851825267 /nfs/dbraw/zinc/82/52/67/851825267.db2.gz CBHHJIKPHUKTOV-LSDHHAIUSA-N 2 1 355.504 0.050 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189810949 851827288 /nfs/dbraw/zinc/82/72/88/851827288.db2.gz OPDRTBUXADLOFO-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189870723 851833131 /nfs/dbraw/zinc/83/31/31/851833131.db2.gz DKOLBQMZKHSLMR-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189870597 851833284 /nfs/dbraw/zinc/83/32/84/851833284.db2.gz AWURAIWNJJXTML-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906416 851840148 /nfs/dbraw/zinc/84/01/48/851840148.db2.gz GJMWSXIYZAYYGZ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906416 851840158 /nfs/dbraw/zinc/84/01/58/851840158.db2.gz GJMWSXIYZAYYGZ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906416 851840167 /nfs/dbraw/zinc/84/01/67/851840167.db2.gz GJMWSXIYZAYYGZ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906416 851840176 /nfs/dbraw/zinc/84/01/76/851840176.db2.gz GJMWSXIYZAYYGZ-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189922990 851843117 /nfs/dbraw/zinc/84/31/17/851843117.db2.gz IKITVBBXLJDPGM-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189922990 851843128 /nfs/dbraw/zinc/84/31/28/851843128.db2.gz IKITVBBXLJDPGM-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189922990 851843134 /nfs/dbraw/zinc/84/31/34/851843134.db2.gz IKITVBBXLJDPGM-OKZBNKHCSA-N 2 1 355.523 0.894 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262750 851886336 /nfs/dbraw/zinc/88/63/36/851886336.db2.gz HYOUXPZTOGXZJW-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262750 851886340 /nfs/dbraw/zinc/88/63/40/851886340.db2.gz HYOUXPZTOGXZJW-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262750 851886343 /nfs/dbraw/zinc/88/63/43/851886343.db2.gz HYOUXPZTOGXZJW-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262750 851886347 /nfs/dbraw/zinc/88/63/47/851886347.db2.gz HYOUXPZTOGXZJW-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371243 851899194 /nfs/dbraw/zinc/89/91/94/851899194.db2.gz RLVFNFNTSLZJNV-YESZJQIVSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371243 851899200 /nfs/dbraw/zinc/89/92/00/851899200.db2.gz RLVFNFNTSLZJNV-YESZJQIVSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001190371243 851899207 /nfs/dbraw/zinc/89/92/07/851899207.db2.gz RLVFNFNTSLZJNV-YESZJQIVSA-N 2 1 350.507 0.869 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)CC[N@H+]1C ZINC001193102123 852355205 /nfs/dbraw/zinc/35/52/05/852355205.db2.gz DJPXHIMSQIXBOD-AAVRWANBSA-N 2 1 367.412 0.457 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001193102123 852355214 /nfs/dbraw/zinc/35/52/14/852355214.db2.gz DJPXHIMSQIXBOD-AAVRWANBSA-N 2 1 367.412 0.457 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001193102123 852355219 /nfs/dbraw/zinc/35/52/19/852355219.db2.gz DJPXHIMSQIXBOD-AAVRWANBSA-N 2 1 367.412 0.457 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 ZINC001193755477 852481838 /nfs/dbraw/zinc/48/18/38/852481838.db2.gz LGVYMEXMQGRVFV-BRWVUGGUSA-N 2 1 351.495 0.555 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193766217 852485882 /nfs/dbraw/zinc/48/58/82/852485882.db2.gz PPCOLRMOTGFOBM-MGPQQGTHSA-N 2 1 367.412 0.457 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194265595 852569610 /nfs/dbraw/zinc/56/96/10/852569610.db2.gz ULYMYNBWWSKTFM-CHWSQXEVSA-N 2 1 369.428 0.847 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001194265595 852569615 /nfs/dbraw/zinc/56/96/15/852569615.db2.gz ULYMYNBWWSKTFM-CHWSQXEVSA-N 2 1 369.428 0.847 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289672 852573236 /nfs/dbraw/zinc/57/32/36/852573236.db2.gz LBNNTDMNKHXBMP-DJIMGWMZSA-N 2 1 350.463 0.230 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)CO[C@@H](C)COC)CC2)CC1 ZINC001195258815 852732447 /nfs/dbraw/zinc/73/24/47/852732447.db2.gz RZIRZDHBDNAZOE-PKOBYXMFSA-N 2 1 357.539 0.891 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640618 852804173 /nfs/dbraw/zinc/80/41/73/852804173.db2.gz IHBBGRKTLVVCBK-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640618 852804176 /nfs/dbraw/zinc/80/41/76/852804176.db2.gz IHBBGRKTLVVCBK-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206799 852914405 /nfs/dbraw/zinc/91/44/05/852914405.db2.gz HJCYAEMPEUUOBM-ZACQAIPSSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206799 852914412 /nfs/dbraw/zinc/91/44/12/852914412.db2.gz HJCYAEMPEUUOBM-ZACQAIPSSA-N 2 1 355.523 0.941 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)C1CCC1 ZINC001196206799 852914417 /nfs/dbraw/zinc/91/44/17/852914417.db2.gz HJCYAEMPEUUOBM-ZACQAIPSSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1)OC ZINC001196667667 852993744 /nfs/dbraw/zinc/99/37/44/852993744.db2.gz QGEZIALPSPJWMW-BZUAXINKSA-N 2 1 352.479 0.983 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1)OC ZINC001196667667 852993750 /nfs/dbraw/zinc/99/37/50/852993750.db2.gz QGEZIALPSPJWMW-BZUAXINKSA-N 2 1 352.479 0.983 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1O ZINC001196953625 853039400 /nfs/dbraw/zinc/03/94/00/853039400.db2.gz GMCPOFLUTNGRRP-QZTJIDSGSA-N 2 1 351.491 0.761 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1O ZINC001196953625 853039406 /nfs/dbraw/zinc/03/94/06/853039406.db2.gz GMCPOFLUTNGRRP-QZTJIDSGSA-N 2 1 351.491 0.761 20 0 FCADMP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791567 853162188 /nfs/dbraw/zinc/16/21/88/853162188.db2.gz FCUOIDAQEHYSMY-IAOVAPTHSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791567 853162191 /nfs/dbraw/zinc/16/21/91/853162191.db2.gz FCUOIDAQEHYSMY-IAOVAPTHSA-N 2 1 353.438 0.626 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048403 853210933 /nfs/dbraw/zinc/21/09/33/853210933.db2.gz TUQPGLWIAOMWOI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048403 853210936 /nfs/dbraw/zinc/21/09/36/853210936.db2.gz TUQPGLWIAOMWOI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048403 853210941 /nfs/dbraw/zinc/21/09/41/853210941.db2.gz TUQPGLWIAOMWOI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198048403 853210945 /nfs/dbraw/zinc/21/09/45/853210945.db2.gz TUQPGLWIAOMWOI-IXDOHACOSA-N 2 1 353.438 0.362 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198671716 853298893 /nfs/dbraw/zinc/29/88/93/853298893.db2.gz JQVZIYLJZSMQCK-CHWSQXEVSA-N 2 1 353.385 0.213 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198671716 853298904 /nfs/dbraw/zinc/29/89/04/853298904.db2.gz JQVZIYLJZSMQCK-CHWSQXEVSA-N 2 1 353.385 0.213 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O ZINC001198699454 853304022 /nfs/dbraw/zinc/30/40/22/853304022.db2.gz RQPZBJHAZCMGLH-USXIJHARSA-N 2 1 367.515 0.420 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001198698809 853304359 /nfs/dbraw/zinc/30/43/59/853304359.db2.gz FQZGOABECRKLNV-BPLDGKMQSA-N 2 1 361.433 0.161 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001198729119 853307879 /nfs/dbraw/zinc/30/78/79/853307879.db2.gz AIOXVYJZOIMIPM-HUUCEWRRSA-N 2 1 363.449 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001198729119 853307888 /nfs/dbraw/zinc/30/78/88/853307888.db2.gz AIOXVYJZOIMIPM-HUUCEWRRSA-N 2 1 363.449 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001198744074 853312267 /nfs/dbraw/zinc/31/22/67/853312267.db2.gz KXUSIYSDMXNJTF-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001199057645 853361448 /nfs/dbraw/zinc/36/14/48/853361448.db2.gz OUGMNSPXXFRQQN-HZPDHXFCSA-N 2 1 352.504 0.723 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001199057645 853361451 /nfs/dbraw/zinc/36/14/51/853361451.db2.gz OUGMNSPXXFRQQN-HZPDHXFCSA-N 2 1 352.504 0.723 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=S)NCCCN1CCOCC1 ZINC001199942957 853464146 /nfs/dbraw/zinc/46/41/46/853464146.db2.gz TWUZVMASRXPLAK-DLBZAZTESA-N 2 1 369.579 0.293 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536135 853501525 /nfs/dbraw/zinc/50/15/25/853501525.db2.gz AGBJIVPRBXRZCL-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538386 853502574 /nfs/dbraw/zinc/50/25/74/853502574.db2.gz ZKQVOZVHJMQDIL-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)Nc3nncs3)CC2)CC[N@H+]1C ZINC001200637149 853506285 /nfs/dbraw/zinc/50/62/85/853506285.db2.gz RYFHSOMPZYUFBD-DGCLKSJQSA-N 2 1 366.491 0.397 20 0 FCADMP CCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518494 853619069 /nfs/dbraw/zinc/61/90/69/853619069.db2.gz AMEDQWZDNPJVCD-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518494 853619071 /nfs/dbraw/zinc/61/90/71/853619071.db2.gz AMEDQWZDNPJVCD-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979241 853775528 /nfs/dbraw/zinc/77/55/28/853775528.db2.gz MJRCRZKAKTUBIO-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979241 853775537 /nfs/dbraw/zinc/77/55/37/853775537.db2.gz MJRCRZKAKTUBIO-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986389 853776986 /nfs/dbraw/zinc/77/69/86/853776986.db2.gz FHAPTMBKROBVBO-NVXWUHKLSA-N 2 1 351.495 0.920 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207263474 853794976 /nfs/dbraw/zinc/79/49/76/853794976.db2.gz UCADDJKDOYXJQU-FVQBIDKESA-N 2 1 356.486 0.629 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207263474 853794981 /nfs/dbraw/zinc/79/49/81/853794981.db2.gz UCADDJKDOYXJQU-FVQBIDKESA-N 2 1 356.486 0.629 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001207261936 853795729 /nfs/dbraw/zinc/79/57/29/853795729.db2.gz CPSXSQVPWKMDDH-OWCLPIDISA-N 2 1 358.502 0.970 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001207261936 853795730 /nfs/dbraw/zinc/79/57/30/853795730.db2.gz CPSXSQVPWKMDDH-OWCLPIDISA-N 2 1 358.502 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001207541004 853822391 /nfs/dbraw/zinc/82/23/91/853822391.db2.gz PFEMBHHVLLUGDK-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001207541004 853822395 /nfs/dbraw/zinc/82/23/95/853822395.db2.gz PFEMBHHVLLUGDK-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001207541004 853822398 /nfs/dbraw/zinc/82/23/98/853822398.db2.gz PFEMBHHVLLUGDK-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207551101 853823310 /nfs/dbraw/zinc/82/33/10/853823310.db2.gz STSXFMJLZWKYJR-BMFZPTHFSA-N 2 1 353.511 0.471 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207551101 853823312 /nfs/dbraw/zinc/82/33/12/853823312.db2.gz STSXFMJLZWKYJR-BMFZPTHFSA-N 2 1 353.511 0.471 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550976 853823441 /nfs/dbraw/zinc/82/34/41/853823441.db2.gz PTBXMZNXCLLXOK-MZMPZRCHSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550976 853823444 /nfs/dbraw/zinc/82/34/44/853823444.db2.gz PTBXMZNXCLLXOK-MZMPZRCHSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550652 853824017 /nfs/dbraw/zinc/82/40/17/853824017.db2.gz DQUDHRQFEKUFBH-WQVCFCJDSA-N 2 1 366.531 0.995 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550652 853824023 /nfs/dbraw/zinc/82/40/23/853824023.db2.gz DQUDHRQFEKUFBH-WQVCFCJDSA-N 2 1 366.531 0.995 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CC1 ZINC001207563017 853826076 /nfs/dbraw/zinc/82/60/76/853826076.db2.gz AKEPURADZLFTEP-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CC1 ZINC001207563017 853826082 /nfs/dbraw/zinc/82/60/82/853826082.db2.gz AKEPURADZLFTEP-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C1CC1 ZINC001207563017 853826086 /nfs/dbraw/zinc/82/60/86/853826086.db2.gz AKEPURADZLFTEP-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C1CC1 ZINC001207563017 853826092 /nfs/dbraw/zinc/82/60/92/853826092.db2.gz AKEPURADZLFTEP-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568233 853827419 /nfs/dbraw/zinc/82/74/19/853827419.db2.gz WXPFKJOEFXHVBX-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568233 853827420 /nfs/dbraw/zinc/82/74/20/853827420.db2.gz WXPFKJOEFXHVBX-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568233 853827423 /nfs/dbraw/zinc/82/74/23/853827423.db2.gz WXPFKJOEFXHVBX-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568233 853827426 /nfs/dbraw/zinc/82/74/26/853827426.db2.gz WXPFKJOEFXHVBX-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207600925 853828656 /nfs/dbraw/zinc/82/86/56/853828656.db2.gz CYGRRNIIZSLOIV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207600925 853828664 /nfs/dbraw/zinc/82/86/64/853828664.db2.gz CYGRRNIIZSLOIV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207600925 853828669 /nfs/dbraw/zinc/82/86/69/853828669.db2.gz CYGRRNIIZSLOIV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207600925 853828673 /nfs/dbraw/zinc/82/86/73/853828673.db2.gz CYGRRNIIZSLOIV-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070889 853891830 /nfs/dbraw/zinc/89/18/30/853891830.db2.gz SZENCLWRQYLNCB-HYVNUMGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCN1C[C@@]23C[N@H+](CC4(C)CC[NH+](C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001208110553 853897640 /nfs/dbraw/zinc/89/76/40/853897640.db2.gz WBCHVAOBZPYQFL-VYDXJSESSA-N 2 1 357.520 0.596 20 0 FCADMP CCN1C[C@@]23C[N@@H+](CC4(C)CC[NH+](C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001208110553 853897644 /nfs/dbraw/zinc/89/76/44/853897644.db2.gz WBCHVAOBZPYQFL-VYDXJSESSA-N 2 1 357.520 0.596 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001208428021 853932357 /nfs/dbraw/zinc/93/23/57/853932357.db2.gz KNDVDKMEFRNFKI-FRFSOERESA-N 2 1 350.463 0.199 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001208428021 853932362 /nfs/dbraw/zinc/93/23/62/853932362.db2.gz KNDVDKMEFRNFKI-FRFSOERESA-N 2 1 350.463 0.199 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)CS(C)(=O)=O ZINC001208485467 853940765 /nfs/dbraw/zinc/94/07/65/853940765.db2.gz LNCIJHDFQKNGDM-IIAWOOMASA-N 2 1 359.536 0.445 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)CS(C)(=O)=O ZINC001208485467 853940770 /nfs/dbraw/zinc/94/07/70/853940770.db2.gz LNCIJHDFQKNGDM-IIAWOOMASA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485851 853941233 /nfs/dbraw/zinc/94/12/33/853941233.db2.gz UJQQGZKXMCZXQF-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001208486004 853941243 /nfs/dbraw/zinc/94/12/43/853941243.db2.gz ZLNGOXGLBZNMER-JKIFEVAISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001208486004 853941246 /nfs/dbraw/zinc/94/12/46/853941246.db2.gz ZLNGOXGLBZNMER-JKIFEVAISA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001208515137 853944205 /nfs/dbraw/zinc/94/42/05/853944205.db2.gz DPSCTCOSROCMOS-CKEIUWERSA-N 2 1 352.479 0.158 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001208526958 853946638 /nfs/dbraw/zinc/94/66/38/853946638.db2.gz CDQADHVRWVYCAX-QGPMSJSTSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001208526958 853946640 /nfs/dbraw/zinc/94/66/40/853946640.db2.gz CDQADHVRWVYCAX-QGPMSJSTSA-N 2 1 352.523 0.878 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)CC1 ZINC001208601303 853958581 /nfs/dbraw/zinc/95/85/81/853958581.db2.gz XTWGKVACJSHSDX-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001208601438 853958621 /nfs/dbraw/zinc/95/86/21/853958621.db2.gz ZFWRHAUYBIYGPD-KZNAEPCWSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001208619581 853960488 /nfs/dbraw/zinc/96/04/88/853960488.db2.gz GOQNCZPNUJQSAX-RKVPGOIHSA-N 2 1 359.486 0.644 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001208619581 853960495 /nfs/dbraw/zinc/96/04/95/853960495.db2.gz GOQNCZPNUJQSAX-RKVPGOIHSA-N 2 1 359.486 0.644 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001208619581 853960502 /nfs/dbraw/zinc/96/05/02/853960502.db2.gz GOQNCZPNUJQSAX-RKVPGOIHSA-N 2 1 359.486 0.644 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209515523 854034274 /nfs/dbraw/zinc/03/42/74/854034274.db2.gz YPHGIKCQGZUXII-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209515523 854034278 /nfs/dbraw/zinc/03/42/78/854034278.db2.gz YPHGIKCQGZUXII-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836781 854058276 /nfs/dbraw/zinc/05/82/76/854058276.db2.gz QTCKHYAQEYULMW-UKRRQHHQSA-N 2 1 363.449 0.815 20 0 FCADMP C[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210275321 854094147 /nfs/dbraw/zinc/09/41/47/854094147.db2.gz BTSCZEOKQWWAKL-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210275321 854094154 /nfs/dbraw/zinc/09/41/54/854094154.db2.gz BTSCZEOKQWWAKL-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210275321 854094161 /nfs/dbraw/zinc/09/41/61/854094161.db2.gz BTSCZEOKQWWAKL-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210275321 854094166 /nfs/dbraw/zinc/09/41/66/854094166.db2.gz BTSCZEOKQWWAKL-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210275321 854094171 /nfs/dbraw/zinc/09/41/71/854094171.db2.gz BTSCZEOKQWWAKL-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001210283606 854094797 /nfs/dbraw/zinc/09/47/97/854094797.db2.gz LASBYJRYQVDBSM-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001210283606 854094801 /nfs/dbraw/zinc/09/48/01/854094801.db2.gz LASBYJRYQVDBSM-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001210283606 854094808 /nfs/dbraw/zinc/09/48/08/854094808.db2.gz LASBYJRYQVDBSM-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001210283606 854094815 /nfs/dbraw/zinc/09/48/15/854094815.db2.gz LASBYJRYQVDBSM-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210298349 854097376 /nfs/dbraw/zinc/09/73/76/854097376.db2.gz OPUATULUPATZHH-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210298349 854097380 /nfs/dbraw/zinc/09/73/80/854097380.db2.gz OPUATULUPATZHH-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001210315172 854099458 /nfs/dbraw/zinc/09/94/58/854099458.db2.gz LCRXXXGPQHPNPK-NVXWUHKLSA-N 2 1 351.495 0.460 20 0 FCADMP COc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001210315613 854099628 /nfs/dbraw/zinc/09/96/28/854099628.db2.gz SWXNHSPDGNRWHP-RHSMWYFYSA-N 2 1 350.463 0.605 20 0 FCADMP COc1ccnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001210315613 854099630 /nfs/dbraw/zinc/09/96/30/854099630.db2.gz SWXNHSPDGNRWHP-RHSMWYFYSA-N 2 1 350.463 0.605 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329520 854100366 /nfs/dbraw/zinc/10/03/66/854100366.db2.gz AWPZCFYEWQFCCX-HUUCEWRRSA-N 2 1 351.495 0.226 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499410 854114037 /nfs/dbraw/zinc/11/40/37/854114037.db2.gz YPIULODMFHDCQH-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499410 854114039 /nfs/dbraw/zinc/11/40/39/854114039.db2.gz YPIULODMFHDCQH-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499410 854114041 /nfs/dbraw/zinc/11/40/41/854114041.db2.gz YPIULODMFHDCQH-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001210499410 854114043 /nfs/dbraw/zinc/11/40/43/854114043.db2.gz YPIULODMFHDCQH-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191284 854167086 /nfs/dbraw/zinc/16/70/86/854167086.db2.gz HMYKZDPUVNZQRN-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191284 854167090 /nfs/dbraw/zinc/16/70/90/854167090.db2.gz HMYKZDPUVNZQRN-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191284 854167093 /nfs/dbraw/zinc/16/70/93/854167093.db2.gz HMYKZDPUVNZQRN-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191284 854167098 /nfs/dbraw/zinc/16/70/98/854167098.db2.gz HMYKZDPUVNZQRN-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001211292897 854174794 /nfs/dbraw/zinc/17/47/94/854174794.db2.gz USENJLCZKGTIAG-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343814 854179484 /nfs/dbraw/zinc/17/94/84/854179484.db2.gz NHZMSSBIHUOTMK-RBSFLKMASA-N 2 1 350.463 0.104 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366617 854181891 /nfs/dbraw/zinc/18/18/91/854181891.db2.gz GFYAZIQGYNTMNB-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1OC ZINC001212352964 854447047 /nfs/dbraw/zinc/44/70/47/854447047.db2.gz GKHOJBBMVJYTMW-BRWVUGGUSA-N 2 1 359.486 0.908 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1OC ZINC001212352964 854447050 /nfs/dbraw/zinc/44/70/50/854447050.db2.gz GKHOJBBMVJYTMW-BRWVUGGUSA-N 2 1 359.486 0.908 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458746 854486441 /nfs/dbraw/zinc/48/64/41/854486441.db2.gz OSOVFGSQYVOJOQ-BZUAXINKSA-N 2 1 359.486 0.908 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342059 854581810 /nfs/dbraw/zinc/58/18/10/854581810.db2.gz FGQPGTYABPXQRR-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)C1 ZINC001213342292 854582703 /nfs/dbraw/zinc/58/27/03/854582703.db2.gz QBDLEGPVHPWSNC-BHUNQDJPSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346266 854583190 /nfs/dbraw/zinc/58/31/90/854583190.db2.gz FHWWGBGKSHZMHC-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213581222 854675713 /nfs/dbraw/zinc/67/57/13/854675713.db2.gz RIRWLWUMELMHKS-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213581222 854675715 /nfs/dbraw/zinc/67/57/15/854675715.db2.gz RIRWLWUMELMHKS-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671297 854708122 /nfs/dbraw/zinc/70/81/22/854708122.db2.gz AIRUKLDXEPCSAV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671297 854708126 /nfs/dbraw/zinc/70/81/26/854708126.db2.gz AIRUKLDXEPCSAV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671297 854708133 /nfs/dbraw/zinc/70/81/33/854708133.db2.gz AIRUKLDXEPCSAV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213671297 854708139 /nfs/dbraw/zinc/70/81/39/854708139.db2.gz AIRUKLDXEPCSAV-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728766 854739094 /nfs/dbraw/zinc/73/90/94/854739094.db2.gz RXGIRPFXBLXXCK-HZPDHXFCSA-N 2 1 370.519 0.654 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728766 854739102 /nfs/dbraw/zinc/73/91/02/854739102.db2.gz RXGIRPFXBLXXCK-HZPDHXFCSA-N 2 1 370.519 0.654 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728881 854739406 /nfs/dbraw/zinc/73/94/06/854739406.db2.gz XSSKCENELRWREE-JHJVBQTASA-N 2 1 365.396 0.211 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728881 854739413 /nfs/dbraw/zinc/73/94/13/854739413.db2.gz XSSKCENELRWREE-JHJVBQTASA-N 2 1 365.396 0.211 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213759328 854754477 /nfs/dbraw/zinc/75/44/77/854754477.db2.gz GNMYCZBCCURYRH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213764986 854758523 /nfs/dbraw/zinc/75/85/23/854758523.db2.gz NRKPHOYODLCSSP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213764986 854758526 /nfs/dbraw/zinc/75/85/26/854758526.db2.gz NRKPHOYODLCSSP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213764986 854758529 /nfs/dbraw/zinc/75/85/29/854758529.db2.gz NRKPHOYODLCSSP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213764986 854758534 /nfs/dbraw/zinc/75/85/34/854758534.db2.gz NRKPHOYODLCSSP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213769080 854759524 /nfs/dbraw/zinc/75/95/24/854759524.db2.gz HIMDTBSACUZQDW-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213769080 854759530 /nfs/dbraw/zinc/75/95/30/854759530.db2.gz HIMDTBSACUZQDW-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001213769080 854759533 /nfs/dbraw/zinc/75/95/33/854759533.db2.gz HIMDTBSACUZQDW-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863201 854797437 /nfs/dbraw/zinc/79/74/37/854797437.db2.gz HJKOSCINNCZCNC-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930169 854832529 /nfs/dbraw/zinc/83/25/29/854832529.db2.gz ZBEQKCVRTXENPZ-YNEHKIRRSA-N 2 1 355.401 0.455 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930169 854832530 /nfs/dbraw/zinc/83/25/30/854832530.db2.gz ZBEQKCVRTXENPZ-YNEHKIRRSA-N 2 1 355.401 0.455 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930169 854832532 /nfs/dbraw/zinc/83/25/32/854832532.db2.gz ZBEQKCVRTXENPZ-YNEHKIRRSA-N 2 1 355.401 0.455 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930169 854832534 /nfs/dbraw/zinc/83/25/34/854832534.db2.gz ZBEQKCVRTXENPZ-YNEHKIRRSA-N 2 1 355.401 0.455 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001214388543 854937573 /nfs/dbraw/zinc/93/75/73/854937573.db2.gz BDGIKEJYDFYJGR-JHJVBQTASA-N 2 1 353.385 0.332 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001214388543 854937582 /nfs/dbraw/zinc/93/75/82/854937582.db2.gz BDGIKEJYDFYJGR-JHJVBQTASA-N 2 1 353.385 0.332 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C)n1 ZINC001214757406 855003580 /nfs/dbraw/zinc/00/35/80/855003580.db2.gz LPPPWMXKPBGMCD-VNQPRFMTSA-N 2 1 354.474 0.914 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214850650 855023448 /nfs/dbraw/zinc/02/34/48/855023448.db2.gz ZWQMUUDJQZDJQA-ZACQAIPSSA-N 2 1 351.495 0.676 20 0 FCADMP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214863900 855025734 /nfs/dbraw/zinc/02/57/34/855025734.db2.gz ZVAFQWQEYAVLRN-BPQIPLTHSA-N 2 1 355.523 0.941 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950474 855038975 /nfs/dbraw/zinc/03/89/75/855038975.db2.gz SHVOYDCIYAQEJW-KLHDSHLOSA-N 2 1 354.495 0.058 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950474 855038979 /nfs/dbraw/zinc/03/89/79/855038979.db2.gz SHVOYDCIYAQEJW-KLHDSHLOSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214968976 855041504 /nfs/dbraw/zinc/04/15/04/855041504.db2.gz GKOCNGISCOARMQ-OAGGEKHMSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214969524 855042390 /nfs/dbraw/zinc/04/23/90/855042390.db2.gz UZVNAWDLKJDNOD-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001214990280 855048812 /nfs/dbraw/zinc/04/88/12/855048812.db2.gz HYIBKFHNVZCPQQ-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001214996827 855049919 /nfs/dbraw/zinc/04/99/19/855049919.db2.gz DJEOPOXXDQKBCV-OWCLPIDISA-N 2 1 359.511 0.177 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184747 855078658 /nfs/dbraw/zinc/07/86/58/855078658.db2.gz RLDDWVBTQOQGFL-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215536638 855125990 /nfs/dbraw/zinc/12/59/90/855125990.db2.gz WKVLTRBQKOBMII-FRRDWIJNSA-N 2 1 366.491 0.397 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001215539911 855126209 /nfs/dbraw/zinc/12/62/09/855126209.db2.gz CIAPXGOSOFUHRL-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)C2 ZINC001215544240 855127435 /nfs/dbraw/zinc/12/74/35/855127435.db2.gz MBMUUWOEIFDTQQ-FRFSOERESA-N 2 1 350.463 0.199 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001216221122 855180966 /nfs/dbraw/zinc/18/09/66/855180966.db2.gz BHBFNLAFROGQMH-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383514 855196505 /nfs/dbraw/zinc/19/65/05/855196505.db2.gz NHLZTHYKIVEHMZ-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382963 855196873 /nfs/dbraw/zinc/19/68/73/855196873.db2.gz FSCFJXHPLDYVQH-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401986 855199464 /nfs/dbraw/zinc/19/94/64/855199464.db2.gz RBFHRFCJFFGJRL-HUUCEWRRSA-N 2 1 352.483 0.374 20 0 FCADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001216401600 855199488 /nfs/dbraw/zinc/19/94/88/855199488.db2.gz NRDDVXGYGDPLSE-GDBMZVCRSA-N 2 1 352.483 0.374 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216511604 855209936 /nfs/dbraw/zinc/20/99/36/855209936.db2.gz WMLYKNUZGHYQAE-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001216752398 855231480 /nfs/dbraw/zinc/23/14/80/855231480.db2.gz NIUSSJXEKCZLAK-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801012 855246596 /nfs/dbraw/zinc/24/65/96/855246596.db2.gz GYLYOPPZUWFQKB-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801012 855246610 /nfs/dbraw/zinc/24/66/10/855246610.db2.gz GYLYOPPZUWFQKB-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216844946 855256488 /nfs/dbraw/zinc/25/64/88/855256488.db2.gz PXUAYHFQQQEWTG-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851563 855259592 /nfs/dbraw/zinc/25/95/92/855259592.db2.gz AEMUOTLQWNMRCD-UKRRQHHQSA-N 2 1 354.520 0.995 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216854443 855260853 /nfs/dbraw/zinc/26/08/53/855260853.db2.gz ZCWBWNXSUFNQJL-JHJVBQTASA-N 2 1 366.428 0.830 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533923 855436682 /nfs/dbraw/zinc/43/66/82/855436682.db2.gz UAXLPZFLAPLWGG-DGCLKSJQSA-N 3 1 365.503 0.350 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)OC2(CC[NH2+]CC2)C1 ZINC001218533923 855436685 /nfs/dbraw/zinc/43/66/85/855436685.db2.gz UAXLPZFLAPLWGG-DGCLKSJQSA-N 3 1 365.503 0.350 20 0 FCADMP CCN(CC)c1nc(Br)cnc1NC(=O)C[NH2+]CCC[NH3+] ZINC001218573651 855442317 /nfs/dbraw/zinc/44/23/17/855442317.db2.gz PWMFWSLMYLYBSL-UHFFFAOYSA-N 2 1 359.272 0.962 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631905 855454109 /nfs/dbraw/zinc/45/41/09/855454109.db2.gz YOFHHBLIIRRGCH-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631905 855454116 /nfs/dbraw/zinc/45/41/16/855454116.db2.gz YOFHHBLIIRRGCH-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631905 855454122 /nfs/dbraw/zinc/45/41/22/855454122.db2.gz YOFHHBLIIRRGCH-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631905 855454130 /nfs/dbraw/zinc/45/41/30/855454130.db2.gz YOFHHBLIIRRGCH-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)c2C1 ZINC001218754486 855475408 /nfs/dbraw/zinc/47/54/08/855475408.db2.gz RYFFECCTNAJFQV-ZDUSSCGKSA-N 2 1 365.503 0.367 20 0 FCADMP CC/C=C/CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789954 855479641 /nfs/dbraw/zinc/47/96/41/855479641.db2.gz YCCAMLLINAHZDB-UYLIBMQOSA-N 2 1 351.491 0.977 20 0 FCADMP CC/C=C/CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789954 855479642 /nfs/dbraw/zinc/47/96/42/855479642.db2.gz YCCAMLLINAHZDB-UYLIBMQOSA-N 2 1 351.491 0.977 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001279136120 862685149 /nfs/dbraw/zinc/68/51/49/862685149.db2.gz XZLFZRSRVNNURX-KBPBESRZSA-N 2 1 353.488 0.966 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001279136120 862685152 /nfs/dbraw/zinc/68/51/52/862685152.db2.gz XZLFZRSRVNNURX-KBPBESRZSA-N 2 1 353.488 0.966 20 0 FCADMP CS(=O)(=O)N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc(N)c1 ZINC001218887822 855491729 /nfs/dbraw/zinc/49/17/29/855491729.db2.gz SUJMEMGPRPQZGJ-CQSZACIVSA-N 2 1 352.460 0.436 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218964971 855503648 /nfs/dbraw/zinc/50/36/48/855503648.db2.gz BCNPRCJLFSRBJN-DLBZAZTESA-N 2 1 351.491 0.811 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC001218971294 855505244 /nfs/dbraw/zinc/50/52/44/855505244.db2.gz WLWXLZDMQZQMDW-LSDHHAIUSA-N 2 1 361.433 0.522 20 0 FCADMP COC(=O)c1cc(NC(=O)C[NH2+]CCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219165674 855569583 /nfs/dbraw/zinc/56/95/83/855569583.db2.gz FDXYROXMGQZSLF-UHFFFAOYSA-N 2 1 353.375 0.284 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665395 855759292 /nfs/dbraw/zinc/75/92/92/855759292.db2.gz JJPMSLIPFFMCEU-OAGGEKHMSA-N 2 1 352.479 0.985 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665395 855759294 /nfs/dbraw/zinc/75/92/94/855759294.db2.gz JJPMSLIPFFMCEU-OAGGEKHMSA-N 2 1 352.479 0.985 20 0 FCADMP Cc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)cc1 ZINC001219765273 855802505 /nfs/dbraw/zinc/80/25/05/855802505.db2.gz YGXNMFOUTYSUCN-SQNIBIBYSA-N 2 1 362.543 0.965 20 0 FCADMP Cc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC001219765273 855802508 /nfs/dbraw/zinc/80/25/08/855802508.db2.gz YGXNMFOUTYSUCN-SQNIBIBYSA-N 2 1 362.543 0.965 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219794384 855815745 /nfs/dbraw/zinc/81/57/45/855815745.db2.gz YFYIPHRMQWCXJD-QGZVFWFLSA-N 2 1 350.507 0.335 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796558 855816725 /nfs/dbraw/zinc/81/67/25/855816725.db2.gz GWIKIXJMOXEGEG-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796558 855816728 /nfs/dbraw/zinc/81/67/28/855816728.db2.gz GWIKIXJMOXEGEG-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796558 855816731 /nfs/dbraw/zinc/81/67/31/855816731.db2.gz GWIKIXJMOXEGEG-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796856 855817584 /nfs/dbraw/zinc/81/75/84/855817584.db2.gz TXABHUNFLHSWEG-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796856 855817588 /nfs/dbraw/zinc/81/75/88/855817588.db2.gz TXABHUNFLHSWEG-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]2O)C1 ZINC001219796856 855817591 /nfs/dbraw/zinc/81/75/91/855817591.db2.gz TXABHUNFLHSWEG-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)CCC1 ZINC001219802388 855820777 /nfs/dbraw/zinc/82/07/77/855820777.db2.gz LVOMTVMYQXDVFS-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805694 855824325 /nfs/dbraw/zinc/82/43/25/855824325.db2.gz PPCOLRMOTGFOBM-HZSPNIEDSA-N 2 1 367.412 0.457 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823328 855831583 /nfs/dbraw/zinc/83/15/83/855831583.db2.gz PFRWZJJPTRXCLQ-ZIAGYGMSSA-N 3 1 350.488 0.461 20 0 FCADMP CN1C[C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823328 855831591 /nfs/dbraw/zinc/83/15/91/855831591.db2.gz PFRWZJJPTRXCLQ-ZIAGYGMSSA-N 2 1 350.488 0.461 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879386 855858816 /nfs/dbraw/zinc/85/88/16/855858816.db2.gz JJMYXCWUOBYEGX-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879386 855858817 /nfs/dbraw/zinc/85/88/17/855858817.db2.gz JJMYXCWUOBYEGX-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879386 855858818 /nfs/dbraw/zinc/85/88/18/855858818.db2.gz JJMYXCWUOBYEGX-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219879386 855858819 /nfs/dbraw/zinc/85/88/19/855858819.db2.gz JJMYXCWUOBYEGX-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CCCC1 ZINC001220077889 855949137 /nfs/dbraw/zinc/94/91/37/855949137.db2.gz AHUFKNOGIUVNOQ-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205838 856007978 /nfs/dbraw/zinc/00/79/78/856007978.db2.gz OGLDJJAJLYWBRV-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205838 856007988 /nfs/dbraw/zinc/00/79/88/856007988.db2.gz OGLDJJAJLYWBRV-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205838 856007993 /nfs/dbraw/zinc/00/79/93/856007993.db2.gz OGLDJJAJLYWBRV-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205838 856007997 /nfs/dbraw/zinc/00/79/97/856007997.db2.gz OGLDJJAJLYWBRV-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224528 856018761 /nfs/dbraw/zinc/01/87/61/856018761.db2.gz QWMOEPXTJHZKIP-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224528 856018764 /nfs/dbraw/zinc/01/87/64/856018764.db2.gz QWMOEPXTJHZKIP-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001220230555 856023752 /nfs/dbraw/zinc/02/37/52/856023752.db2.gz KEIGBFPBBBTSEL-IKGGRYGDSA-N 2 1 353.507 0.431 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[NH+](CC)CC ZINC001220344491 856076933 /nfs/dbraw/zinc/07/69/33/856076933.db2.gz ABHZNWFDFDAMNY-OAGGEKHMSA-N 2 1 354.520 0.967 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[NH+](CC)CC ZINC001220344491 856076935 /nfs/dbraw/zinc/07/69/35/856076935.db2.gz ABHZNWFDFDAMNY-OAGGEKHMSA-N 2 1 354.520 0.967 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355243 856079965 /nfs/dbraw/zinc/07/99/65/856079965.db2.gz JHAAIUBGZJOXQM-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355243 856079972 /nfs/dbraw/zinc/07/99/72/856079972.db2.gz JHAAIUBGZJOXQM-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC1CC[NH+](CCF)CC1 ZINC001220435172 856123210 /nfs/dbraw/zinc/12/32/10/856123210.db2.gz BIAMLGCPDFHZAG-INIZCTEOSA-N 2 1 350.438 0.223 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548149 856179668 /nfs/dbraw/zinc/17/96/68/856179668.db2.gz ZCJAGVVODZYNLH-SJORKVTESA-N 2 1 357.495 0.077 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548149 856179677 /nfs/dbraw/zinc/17/96/77/856179677.db2.gz ZCJAGVVODZYNLH-SJORKVTESA-N 2 1 357.495 0.077 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)C(C)C ZINC001220572684 856190191 /nfs/dbraw/zinc/19/01/91/856190191.db2.gz GHQHNTQKHKUCAI-IXDOHACOSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C(C)C ZINC001220572684 856190196 /nfs/dbraw/zinc/19/01/96/856190196.db2.gz GHQHNTQKHKUCAI-IXDOHACOSA-N 2 1 351.495 0.411 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755425 856282523 /nfs/dbraw/zinc/28/25/23/856282523.db2.gz OJRSIYAHVJVUIT-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755425 856282533 /nfs/dbraw/zinc/28/25/33/856282533.db2.gz OJRSIYAHVJVUIT-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755425 856282541 /nfs/dbraw/zinc/28/25/41/856282541.db2.gz OJRSIYAHVJVUIT-MCIONIFRSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764198 856286750 /nfs/dbraw/zinc/28/67/50/856286750.db2.gz CCQIIOPPPNIGDQ-XYPHTWIQSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764198 856286765 /nfs/dbraw/zinc/28/67/65/856286765.db2.gz CCQIIOPPPNIGDQ-XYPHTWIQSA-N 2 1 353.438 0.626 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817180 856318297 /nfs/dbraw/zinc/31/82/97/856318297.db2.gz NVLNAEJZUXWBEB-XHSDSOJGSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817180 856318303 /nfs/dbraw/zinc/31/83/03/856318303.db2.gz NVLNAEJZUXWBEB-XHSDSOJGSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817180 856318314 /nfs/dbraw/zinc/31/83/14/856318314.db2.gz NVLNAEJZUXWBEB-XHSDSOJGSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001220817180 856318323 /nfs/dbraw/zinc/31/83/23/856318323.db2.gz NVLNAEJZUXWBEB-XHSDSOJGSA-N 2 1 356.511 0.135 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC001220911016 856370096 /nfs/dbraw/zinc/37/00/96/856370096.db2.gz CJOWLTQMRIJYKL-RDJZCZTQSA-N 2 1 351.422 0.495 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)c1 ZINC001220911015 856370497 /nfs/dbraw/zinc/37/04/97/856370497.db2.gz CJOWLTQMRIJYKL-NVXWUHKLSA-N 2 1 351.422 0.495 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976340 856404009 /nfs/dbraw/zinc/40/40/09/856404009.db2.gz VIBLFEKNSSYBMQ-UPJWGTAASA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976340 856404014 /nfs/dbraw/zinc/40/40/14/856404014.db2.gz VIBLFEKNSSYBMQ-UPJWGTAASA-N 2 1 353.385 0.068 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220976340 856404018 /nfs/dbraw/zinc/40/40/18/856404018.db2.gz VIBLFEKNSSYBMQ-UPJWGTAASA-N 2 1 353.385 0.068 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220978159 856405258 /nfs/dbraw/zinc/40/52/58/856405258.db2.gz PKSSDZDKOFLUGU-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220978159 856405263 /nfs/dbraw/zinc/40/52/63/856405263.db2.gz PKSSDZDKOFLUGU-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004374 856418311 /nfs/dbraw/zinc/41/83/11/856418311.db2.gz OQLHMHSQOQSJOQ-JYJNAYRXSA-N 2 1 352.479 0.051 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073216 856448815 /nfs/dbraw/zinc/44/88/15/856448815.db2.gz LHTCZAFZNASGEM-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221248138 856528792 /nfs/dbraw/zinc/52/87/92/856528792.db2.gz KTIJWHSWUSYTNA-SJLPKXTDSA-N 3 1 350.507 0.478 20 0 FCADMP CN1C[C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221248138 856528795 /nfs/dbraw/zinc/52/87/95/856528795.db2.gz KTIJWHSWUSYTNA-SJLPKXTDSA-N 2 1 350.507 0.478 20 0 FCADMP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221359128 856554971 /nfs/dbraw/zinc/55/49/71/856554971.db2.gz UNEYZDUKUDOJNN-JKSUJKDBSA-N 2 1 356.511 0.483 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414045 856560667 /nfs/dbraw/zinc/56/06/67/856560667.db2.gz SBEPWRSOWKPRJX-WBVHZDCISA-N 2 1 354.882 0.766 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCCC1 ZINC001221553078 856604564 /nfs/dbraw/zinc/60/45/64/856604564.db2.gz QIVYCDLEWYGJRS-IAGOWNOFSA-N 2 1 353.507 0.793 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221654684 856641010 /nfs/dbraw/zinc/64/10/10/856641010.db2.gz RVVHXCLTQBNKTE-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221654684 856641012 /nfs/dbraw/zinc/64/10/12/856641012.db2.gz RVVHXCLTQBNKTE-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221654684 856641014 /nfs/dbraw/zinc/64/10/14/856641014.db2.gz RVVHXCLTQBNKTE-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221654684 856641019 /nfs/dbraw/zinc/64/10/19/856641019.db2.gz RVVHXCLTQBNKTE-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221771852 856677070 /nfs/dbraw/zinc/67/70/70/856677070.db2.gz IIUCHJIAJYHWLK-ARFHVFGLSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221771852 856677074 /nfs/dbraw/zinc/67/70/74/856677074.db2.gz IIUCHJIAJYHWLK-ARFHVFGLSA-N 2 1 371.547 0.542 20 0 FCADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC001279309496 862823194 /nfs/dbraw/zinc/82/31/94/862823194.db2.gz UKZJQTZXNDDPFD-UHFFFAOYSA-N 2 1 352.435 0.796 20 0 FCADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC001279309496 862823203 /nfs/dbraw/zinc/82/32/03/862823203.db2.gz UKZJQTZXNDDPFD-UHFFFAOYSA-N 2 1 352.435 0.796 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790397 856684617 /nfs/dbraw/zinc/68/46/17/856684617.db2.gz NGDHMUNTTRKVRC-IAGOWNOFSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790397 856684619 /nfs/dbraw/zinc/68/46/19/856684619.db2.gz NGDHMUNTTRKVRC-IAGOWNOFSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221791498 856685766 /nfs/dbraw/zinc/68/57/66/856685766.db2.gz ONGSUSVMQNKPAB-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221791498 856685770 /nfs/dbraw/zinc/68/57/70/856685770.db2.gz ONGSUSVMQNKPAB-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221876595 856720305 /nfs/dbraw/zinc/72/03/05/856720305.db2.gz KJDMZEMWNWUICN-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221876595 856720315 /nfs/dbraw/zinc/72/03/15/856720315.db2.gz KJDMZEMWNWUICN-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221876595 856720326 /nfs/dbraw/zinc/72/03/26/856720326.db2.gz KJDMZEMWNWUICN-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221876595 856720329 /nfs/dbraw/zinc/72/03/29/856720329.db2.gz KJDMZEMWNWUICN-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221883423 856721005 /nfs/dbraw/zinc/72/10/05/856721005.db2.gz DNNKCLLNOLVTPT-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221883423 856721008 /nfs/dbraw/zinc/72/10/08/856721008.db2.gz DNNKCLLNOLVTPT-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919246 856732975 /nfs/dbraw/zinc/73/29/75/856732975.db2.gz FYFOEXPXWRRBLN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919246 856732981 /nfs/dbraw/zinc/73/29/81/856732981.db2.gz FYFOEXPXWRRBLN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919246 856732991 /nfs/dbraw/zinc/73/29/91/856732991.db2.gz FYFOEXPXWRRBLN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221919246 856732995 /nfs/dbraw/zinc/73/29/95/856732995.db2.gz FYFOEXPXWRRBLN-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947183 856744485 /nfs/dbraw/zinc/74/44/85/856744485.db2.gz WTENICSNHRGTFX-MGPQQGTHSA-N 2 1 367.412 0.411 20 0 FCADMP CCO[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950624 856745623 /nfs/dbraw/zinc/74/56/23/856745623.db2.gz QCKNOSHYFGWIPV-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034885 856779655 /nfs/dbraw/zinc/77/96/55/856779655.db2.gz MYJAXVJZYXJYAF-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034885 856779666 /nfs/dbraw/zinc/77/96/66/856779666.db2.gz MYJAXVJZYXJYAF-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034885 856779676 /nfs/dbraw/zinc/77/96/76/856779676.db2.gz MYJAXVJZYXJYAF-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034885 856779684 /nfs/dbraw/zinc/77/96/84/856779684.db2.gz MYJAXVJZYXJYAF-KZNAEPCWSA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034623 856780352 /nfs/dbraw/zinc/78/03/52/856780352.db2.gz BIMVNTKHBOYYQH-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034623 856780355 /nfs/dbraw/zinc/78/03/55/856780355.db2.gz BIMVNTKHBOYYQH-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034623 856780362 /nfs/dbraw/zinc/78/03/62/856780362.db2.gz BIMVNTKHBOYYQH-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034623 856780365 /nfs/dbraw/zinc/78/03/65/856780365.db2.gz BIMVNTKHBOYYQH-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001222049770 856783800 /nfs/dbraw/zinc/78/38/00/856783800.db2.gz LRTIMSLDDAGISF-KURKYZTESA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046617 856783834 /nfs/dbraw/zinc/78/38/34/856783834.db2.gz MQDBCFNAOHDXPO-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046617 856783839 /nfs/dbraw/zinc/78/38/39/856783839.db2.gz MQDBCFNAOHDXPO-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053482 856788188 /nfs/dbraw/zinc/78/81/88/856788188.db2.gz SBGNTUIJQBCVNS-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053482 856788199 /nfs/dbraw/zinc/78/81/99/856788199.db2.gz SBGNTUIJQBCVNS-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001222053482 856788207 /nfs/dbraw/zinc/78/82/07/856788207.db2.gz SBGNTUIJQBCVNS-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1)C1CC1 ZINC001222891297 856880589 /nfs/dbraw/zinc/88/05/89/856880589.db2.gz DJGZNTSQMPFJAR-PVAVHDDUSA-N 2 1 371.547 0.684 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1)C1CC1 ZINC001222891297 856880592 /nfs/dbraw/zinc/88/05/92/856880592.db2.gz DJGZNTSQMPFJAR-PVAVHDDUSA-N 2 1 371.547 0.684 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222986285 856887512 /nfs/dbraw/zinc/88/75/12/856887512.db2.gz PXWOKEXGZYRFSJ-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222986285 856887516 /nfs/dbraw/zinc/88/75/16/856887516.db2.gz PXWOKEXGZYRFSJ-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222986285 856887523 /nfs/dbraw/zinc/88/75/23/856887523.db2.gz PXWOKEXGZYRFSJ-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222986285 856887533 /nfs/dbraw/zinc/88/75/33/856887533.db2.gz PXWOKEXGZYRFSJ-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354661 856910579 /nfs/dbraw/zinc/91/05/79/856910579.db2.gz OZEWJDOIZMNWIS-ADHGMGHFSA-N 2 1 353.507 0.647 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354661 856910584 /nfs/dbraw/zinc/91/05/84/856910584.db2.gz OZEWJDOIZMNWIS-ADHGMGHFSA-N 2 1 353.507 0.647 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223354661 856910590 /nfs/dbraw/zinc/91/05/90/856910590.db2.gz OZEWJDOIZMNWIS-ADHGMGHFSA-N 2 1 353.507 0.647 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223379573 856911938 /nfs/dbraw/zinc/91/19/38/856911938.db2.gz VNPNSHORJVBGNA-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430516 856915936 /nfs/dbraw/zinc/91/59/36/856915936.db2.gz MIUULCPRMZIZQX-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223721329 856939342 /nfs/dbraw/zinc/93/93/42/856939342.db2.gz HIXNKCAWLGJYHR-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001223847046 856946696 /nfs/dbraw/zinc/94/66/96/856946696.db2.gz XDIVMTFJDRNIDB-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223847046 856946699 /nfs/dbraw/zinc/94/66/99/856946699.db2.gz XDIVMTFJDRNIDB-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223847046 856946703 /nfs/dbraw/zinc/94/67/03/856946703.db2.gz XDIVMTFJDRNIDB-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCOCC3)[C@H]2C1 ZINC001223916766 856950716 /nfs/dbraw/zinc/95/07/16/856950716.db2.gz PMXWWNBFQMLSRA-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223985273 856954315 /nfs/dbraw/zinc/95/43/15/856954315.db2.gz XBOBNJOXJFXYQY-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223985273 856954325 /nfs/dbraw/zinc/95/43/25/856954325.db2.gz XBOBNJOXJFXYQY-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223985273 856954333 /nfs/dbraw/zinc/95/43/33/856954333.db2.gz XBOBNJOXJFXYQY-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129561 856961623 /nfs/dbraw/zinc/96/16/23/856961623.db2.gz HFXCZMUKNRFFEV-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129561 856961627 /nfs/dbraw/zinc/96/16/27/856961627.db2.gz HFXCZMUKNRFFEV-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224141007 856962203 /nfs/dbraw/zinc/96/22/03/856962203.db2.gz UJSZZWWMXMLLEH-CVEARBPZSA-N 2 1 357.520 0.440 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224141007 856962207 /nfs/dbraw/zinc/96/22/07/856962207.db2.gz UJSZZWWMXMLLEH-CVEARBPZSA-N 2 1 357.520 0.440 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245807 856973889 /nfs/dbraw/zinc/97/38/89/856973889.db2.gz GCQHUDVSGSJCCI-ZACQAIPSSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245807 856973895 /nfs/dbraw/zinc/97/38/95/856973895.db2.gz GCQHUDVSGSJCCI-ZACQAIPSSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245807 856973899 /nfs/dbraw/zinc/97/38/99/856973899.db2.gz GCQHUDVSGSJCCI-ZACQAIPSSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001224245807 856973904 /nfs/dbraw/zinc/97/39/04/856973904.db2.gz GCQHUDVSGSJCCI-ZACQAIPSSA-N 2 1 371.547 0.684 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224290061 856978031 /nfs/dbraw/zinc/97/80/31/856978031.db2.gz YEIIVJQYEYYJHU-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001226342066 857098488 /nfs/dbraw/zinc/09/84/88/857098488.db2.gz QVMDYLYWBVGESM-ZJIFWQFVSA-N 2 1 374.551 0.283 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028157 857138219 /nfs/dbraw/zinc/13/82/19/857138219.db2.gz BNBHAWLXPNBJPQ-QBPKDAKJSA-N 2 1 357.495 0.386 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028157 857138227 /nfs/dbraw/zinc/13/82/27/857138227.db2.gz BNBHAWLXPNBJPQ-QBPKDAKJSA-N 2 1 357.495 0.386 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227083778 857140104 /nfs/dbraw/zinc/14/01/04/857140104.db2.gz XRZVJEJNHSFFGR-RBSFLKMASA-N 2 1 360.524 0.037 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001228603983 857218392 /nfs/dbraw/zinc/21/83/92/857218392.db2.gz VPLHSJSUFNNBNL-BZUAXINKSA-N 2 1 359.536 0.780 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142702 857253306 /nfs/dbraw/zinc/25/33/06/857253306.db2.gz ZNZMKZOCMTUBLY-IAGOWNOFSA-N 2 1 357.495 0.389 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229504181 857272959 /nfs/dbraw/zinc/27/29/59/857272959.db2.gz PKRWNGYAGYGBQC-HZPDHXFCSA-N 2 1 356.511 0.498 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229869003 857290253 /nfs/dbraw/zinc/29/02/53/857290253.db2.gz UDCABIWDCHUFIW-HUUCEWRRSA-N 2 1 362.540 0.285 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4(C)COC4)CC3)[C@@H]2C1 ZINC001279459212 862894381 /nfs/dbraw/zinc/89/43/81/862894381.db2.gz BNNLNGDHDSACCH-HZPDHXFCSA-N 2 1 350.507 0.097 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001230215686 857315043 /nfs/dbraw/zinc/31/50/43/857315043.db2.gz WMNUYAHZMBKWKM-BZUAXINKSA-N 2 1 352.479 0.003 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001230215686 857315045 /nfs/dbraw/zinc/31/50/45/857315045.db2.gz WMNUYAHZMBKWKM-BZUAXINKSA-N 2 1 352.479 0.003 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230280283 857322385 /nfs/dbraw/zinc/32/23/85/857322385.db2.gz SVYUDOYTNYGHDW-HZPDHXFCSA-N 2 1 356.511 0.496 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001230274853 857322876 /nfs/dbraw/zinc/32/28/76/857322876.db2.gz PDRYXACFIYPMAV-HUUCEWRRSA-N 2 1 352.479 0.493 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3c(N)ncnc3Cl)C[C@H]1C2 ZINC001236026834 857435469 /nfs/dbraw/zinc/43/54/69/857435469.db2.gz KTMSUOMLHCZNAC-HDINQQKLSA-N 2 1 351.838 0.543 20 0 FCADMP COC(=O)[C@@H]1CN(Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C[C@@H]1[NH3+] ZINC001236350681 857440988 /nfs/dbraw/zinc/44/09/88/857440988.db2.gz JZWMZPRDXVKNJJ-ZBFHGGJFSA-N 2 1 350.438 0.510 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1ccncc1)CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239082855 857510453 /nfs/dbraw/zinc/51/04/53/857510453.db2.gz YQXIQZDWSWTHHE-UHFFFAOYSA-N 2 1 361.471 0.896 20 0 FCADMP CN(C)S(=O)(=O)N1CCC2(C1)CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001279501548 862920226 /nfs/dbraw/zinc/92/02/26/862920226.db2.gz IGSLRCAVFGVULQ-MRXNPFEDSA-N 2 1 358.552 0.923 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001245979038 857563203 /nfs/dbraw/zinc/56/32/03/857563203.db2.gz SAILABXWTRHBJQ-XMTFNYHQSA-N 2 1 355.429 0.696 20 0 FCADMP CC(C)(C)OC(=O)[C@@H](N)C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246015537 857564255 /nfs/dbraw/zinc/56/42/55/857564255.db2.gz ZUFZGTXJZUBEBF-SOUVJXGZSA-N 2 1 359.417 0.454 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246254572 857571556 /nfs/dbraw/zinc/57/15/56/857571556.db2.gz HOZPYRCZKDZMDA-DVOMOZLQSA-N 2 1 351.447 0.584 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683355 857589062 /nfs/dbraw/zinc/58/90/62/857589062.db2.gz SBAVTUHCLAKGJI-XSWJXKHESA-N 2 1 353.463 0.145 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693045 857591098 /nfs/dbraw/zinc/59/10/98/857591098.db2.gz JDGCLOPVPPJGFO-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C[NH2+]1 ZINC001246693045 857591105 /nfs/dbraw/zinc/59/11/05/857591105.db2.gz JDGCLOPVPPJGFO-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C[NH2+]1 ZINC001246724015 857593586 /nfs/dbraw/zinc/59/35/86/857593586.db2.gz SWBYNVRHRFCJNW-VXIBKDFQSA-N 2 1 351.491 0.570 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C[NH2+]1 ZINC001246724015 857593597 /nfs/dbraw/zinc/59/35/97/857593597.db2.gz SWBYNVRHRFCJNW-VXIBKDFQSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1CC[C@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754183 857598917 /nfs/dbraw/zinc/59/89/17/857598917.db2.gz SSAMNRAJZUURBX-SJORKVTESA-N 2 1 352.523 0.630 20 0 FCADMP CCOC(=O)[C@@H]1CC12CCC(N1CC[NH2+]CCNCC[NH2+]CC1)CC2 ZINC001246823008 857601769 /nfs/dbraw/zinc/60/17/69/857601769.db2.gz UELIMFNIQKDKEZ-HFCFLWKCSA-N 2 1 352.523 0.583 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CN1 ZINC001246854799 857602940 /nfs/dbraw/zinc/60/29/40/857602940.db2.gz HJLSOTVZNSJZNI-LDDOYCOJSA-N 2 1 353.463 0.145 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246923665 857605579 /nfs/dbraw/zinc/60/55/79/857605579.db2.gz DZGNPWVTZFWWLV-HNNXBMFYSA-N 3 1 354.445 0.938 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246923665 857605583 /nfs/dbraw/zinc/60/55/83/857605583.db2.gz DZGNPWVTZFWWLV-HNNXBMFYSA-N 3 1 354.445 0.938 20 0 FCADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938776 857606575 /nfs/dbraw/zinc/60/65/75/857606575.db2.gz UAACCLTXZGZFLK-GOSISDBHSA-N 3 1 352.523 0.141 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC4CC4)CC3)[C@H]2C1 ZINC001279514844 862930332 /nfs/dbraw/zinc/93/03/32/862930332.db2.gz UGIMZSYMNPXLOT-IRXDYDNUSA-N 2 1 351.491 0.919 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279518436 862933025 /nfs/dbraw/zinc/93/30/25/862933025.db2.gz VKVYEKWAZGPTBV-QAPCUYQASA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)CCC1=O ZINC001251583972 857733621 /nfs/dbraw/zinc/73/36/21/857733621.db2.gz PNQQNBKLVABESN-LBPRGKRZSA-N 2 1 373.391 0.360 20 0 FCADMP CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001252024074 857775584 /nfs/dbraw/zinc/77/55/84/857775584.db2.gz JMUDHUNKNOIIGW-OWSLCNJRSA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001252024074 857775587 /nfs/dbraw/zinc/77/55/87/857775587.db2.gz JMUDHUNKNOIIGW-OWSLCNJRSA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001252024074 857775590 /nfs/dbraw/zinc/77/55/90/857775590.db2.gz JMUDHUNKNOIIGW-OWSLCNJRSA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001252024074 857775593 /nfs/dbraw/zinc/77/55/93/857775593.db2.gz JMUDHUNKNOIIGW-OWSLCNJRSA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001252040362 857779577 /nfs/dbraw/zinc/77/95/77/857779577.db2.gz CCEPPMYHFYQLBZ-PMPSAXMXSA-N 2 1 357.495 0.915 20 0 FCADMP CCOC[C@@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001252040362 857779588 /nfs/dbraw/zinc/77/95/88/857779588.db2.gz CCEPPMYHFYQLBZ-PMPSAXMXSA-N 2 1 357.495 0.915 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CC1(O)CCOCC1)CCC2 ZINC001252961075 857851730 /nfs/dbraw/zinc/85/17/30/857851730.db2.gz VZABQQJUZOIDNG-UHFFFAOYSA-N 2 1 352.479 0.709 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC001253075512 857857930 /nfs/dbraw/zinc/85/79/30/857857930.db2.gz SSMJLBXHONQMDH-GOSISDBHSA-N 2 1 352.475 0.662 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001253367976 857882878 /nfs/dbraw/zinc/88/28/78/857882878.db2.gz CMJRPVPOTNCHTD-CQSZACIVSA-N 2 1 350.467 0.231 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2)CC1 ZINC001253682885 857905238 /nfs/dbraw/zinc/90/52/38/857905238.db2.gz XBMLWNQGLRFACN-HNNXBMFYSA-N 2 1 355.479 0.175 20 0 FCADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520406 857977381 /nfs/dbraw/zinc/97/73/81/857977381.db2.gz XKWCGSNIYSXJFC-XLAORIBOSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520406 857977383 /nfs/dbraw/zinc/97/73/83/857977383.db2.gz XKWCGSNIYSXJFC-XLAORIBOSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520406 857977386 /nfs/dbraw/zinc/97/73/86/857977386.db2.gz XKWCGSNIYSXJFC-XLAORIBOSA-N 2 1 351.491 0.666 20 0 FCADMP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032505 858049467 /nfs/dbraw/zinc/04/94/67/858049467.db2.gz QIHKYMVMKJJRHG-IXDOHACOSA-N 2 1 355.479 0.886 20 0 FCADMP CCOC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032505 858049478 /nfs/dbraw/zinc/04/94/78/858049478.db2.gz QIHKYMVMKJJRHG-IXDOHACOSA-N 2 1 355.479 0.886 20 0 FCADMP CCOC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032505 858049485 /nfs/dbraw/zinc/04/94/85/858049485.db2.gz QIHKYMVMKJJRHG-IXDOHACOSA-N 2 1 355.479 0.886 20 0 FCADMP CN(C)S(=O)(=O)N[C@@]12CC[C@@]([NH2+]Cc3c[nH+]ccc3N)(C1)CCC2 ZINC001279617135 862981545 /nfs/dbraw/zinc/98/15/45/862981545.db2.gz QNRZPZGPOWLGJF-CVEARBPZSA-N 2 1 353.492 0.825 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCS(=O)(=O)CC1)CC2 ZINC001256383290 858074100 /nfs/dbraw/zinc/07/41/00/858074100.db2.gz BAVVOQFEDWDVBM-UHFFFAOYSA-N 2 1 367.515 0.388 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](C1CCS(=O)(=O)CC1)CC2 ZINC001256383290 858074108 /nfs/dbraw/zinc/07/41/08/858074108.db2.gz BAVVOQFEDWDVBM-UHFFFAOYSA-N 2 1 367.515 0.388 20 0 FCADMP CS(=O)(=O)N1C[C@H]2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)[C@H]2C1 ZINC001256693062 858095265 /nfs/dbraw/zinc/09/52/65/858095265.db2.gz JAVINCPEBMSBGY-CPFNUKBASA-N 2 1 371.547 0.986 20 0 FCADMP CC(C)N1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001257210410 858126447 /nfs/dbraw/zinc/12/64/47/858126447.db2.gz OOYIVKVNMBWXBB-UHFFFAOYSA-N 2 1 361.527 0.474 20 0 FCADMP CC(C)[NH+]1CCC(NCCOCCOCCOCCOCC[NH3+])CC1 ZINC001257210410 858126450 /nfs/dbraw/zinc/12/64/50/858126450.db2.gz OOYIVKVNMBWXBB-UHFFFAOYSA-N 2 1 361.527 0.474 20 0 FCADMP CCC[NH+]1CCC([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001258773328 858210763 /nfs/dbraw/zinc/21/07/63/858210763.db2.gz HSSOMMSMJLWDOG-KZNAEPCWSA-N 2 1 351.491 0.951 20 0 FCADMP CCC[NH+]1CCC([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001258773328 858210766 /nfs/dbraw/zinc/21/07/66/858210766.db2.gz HSSOMMSMJLWDOG-KZNAEPCWSA-N 2 1 351.491 0.951 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261523197 858579230 /nfs/dbraw/zinc/57/92/30/858579230.db2.gz QEBJGELSPRVULI-BXWFABGCSA-N 2 1 350.507 0.955 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001262060213 858768772 /nfs/dbraw/zinc/76/87/72/858768772.db2.gz SZRKVEWHUCBVGU-UHFFFAOYSA-N 2 1 354.495 0.381 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001262205450 858818074 /nfs/dbraw/zinc/81/80/74/858818074.db2.gz SSGXIOUKFCQJKO-BXWFABGCSA-N 2 1 350.507 0.763 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001262205450 858818078 /nfs/dbraw/zinc/81/80/78/858818078.db2.gz SSGXIOUKFCQJKO-BXWFABGCSA-N 2 1 350.507 0.763 20 0 FCADMP CSC1(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001263764506 859206687 /nfs/dbraw/zinc/20/66/87/859206687.db2.gz LFVNSJYQBUFIGB-GJZGRUSLSA-N 2 1 357.568 0.747 20 0 FCADMP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269992830 859624999 /nfs/dbraw/zinc/62/49/99/859624999.db2.gz ZXWAGDINEYCCIP-UHFFFAOYSA-N 2 1 350.492 0.701 20 0 FCADMP Cc1ncsc1C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001269992811 859625118 /nfs/dbraw/zinc/62/51/18/859625118.db2.gz ZHCQUDLZOKRNFI-OKILXGFUSA-N 2 1 364.519 0.947 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001270155068 859668670 /nfs/dbraw/zinc/66/86/70/859668670.db2.gz FENAVDGEOFVRQL-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001273332204 860455773 /nfs/dbraw/zinc/45/57/73/860455773.db2.gz FOPGWLXFSANNGQ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001273332204 860455776 /nfs/dbraw/zinc/45/57/76/860455776.db2.gz FOPGWLXFSANNGQ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273452924 860494000 /nfs/dbraw/zinc/49/40/00/860494000.db2.gz FSUFFWHCRCGBAG-FCEWJHQRSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273834098 860613357 /nfs/dbraw/zinc/61/33/57/860613357.db2.gz AMRWHMNMMYWOGD-HKUYNNGSSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](C)C1)CC2 ZINC001273836636 860614113 /nfs/dbraw/zinc/61/41/13/860614113.db2.gz YCLWYIYMGZSPHJ-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273836636 860614116 /nfs/dbraw/zinc/61/41/16/860614116.db2.gz YCLWYIYMGZSPHJ-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001273836636 860614118 /nfs/dbraw/zinc/61/41/18/860614118.db2.gz YCLWYIYMGZSPHJ-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274305796 860727501 /nfs/dbraw/zinc/72/75/01/860727501.db2.gz OQBKJVGXYLJICN-ROUUACIJSA-N 2 1 354.539 0.972 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274400656 860742730 /nfs/dbraw/zinc/74/27/30/860742730.db2.gz WSXPWGQOVQEAIP-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274400656 860742737 /nfs/dbraw/zinc/74/27/37/860742737.db2.gz WSXPWGQOVQEAIP-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274400656 860742743 /nfs/dbraw/zinc/74/27/43/860742743.db2.gz WSXPWGQOVQEAIP-BBWFWOEESA-N 2 1 350.507 0.728 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001274419408 860746617 /nfs/dbraw/zinc/74/66/17/860746617.db2.gz SIYRZGDFWWPMRP-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508438 861115087 /nfs/dbraw/zinc/11/50/87/861115087.db2.gz SUFCHTNTSWTQDP-SFHVURJKSA-N 2 1 357.495 0.498 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275508438 861115095 /nfs/dbraw/zinc/11/50/95/861115095.db2.gz SUFCHTNTSWTQDP-SFHVURJKSA-N 2 1 357.495 0.498 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001275512386 861117285 /nfs/dbraw/zinc/11/72/85/861117285.db2.gz SKGHOBDOPNPZMK-HNAYVOBHSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001275512386 861117298 /nfs/dbraw/zinc/11/72/98/861117298.db2.gz SKGHOBDOPNPZMK-HNAYVOBHSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556416 861127527 /nfs/dbraw/zinc/12/75/27/861127527.db2.gz KJFUVMMWQOUENH-LJQANCHMSA-N 2 1 353.507 0.916 20 0 FCADMP CCOC(=O)[C@@H](C)N1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275555935 861127762 /nfs/dbraw/zinc/12/77/62/861127762.db2.gz FBCPERMJWVLECB-CQSZACIVSA-N 2 1 353.463 0.193 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736394 861178765 /nfs/dbraw/zinc/17/87/65/861178765.db2.gz DLSYBAVSJLDPAW-KBXCAEBGSA-N 2 1 350.463 0.091 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736402 861180218 /nfs/dbraw/zinc/18/02/18/861180218.db2.gz DLSYBAVSJLDPAW-KSSFIOAISA-N 2 1 350.463 0.091 20 0 FCADMP CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001275736705 861180851 /nfs/dbraw/zinc/18/08/51/861180851.db2.gz GJNNJCJPJPUQFU-HZPDHXFCSA-N 2 1 357.520 0.486 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743669 861187690 /nfs/dbraw/zinc/18/76/90/861187690.db2.gz UKMHUHYIYMAKLV-VQIMIIECSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743666 861187741 /nfs/dbraw/zinc/18/77/41/861187741.db2.gz UKMHUHYIYMAKLV-APWZRJJASA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H]3C[N@@H+](C[C@@H]4CCCO4)C[C@@H]3O2)CC1 ZINC001280195818 863325404 /nfs/dbraw/zinc/32/54/04/863325404.db2.gz VSUXXOZOZYSWJX-UBDQQSCGSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)N4CCCCO4)=NO[C@@H]3C2)CC1 ZINC001280257071 863364794 /nfs/dbraw/zinc/36/47/94/863364794.db2.gz RUTUBXCLWQVOHW-JKSUJKDBSA-N 2 1 350.463 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001282053873 864047137 /nfs/dbraw/zinc/04/71/37/864047137.db2.gz GOIODZZLCZICQR-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285229666 864616953 /nfs/dbraw/zinc/61/69/53/864616953.db2.gz VDMMNPQFIUXBST-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCN(C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001350006317 866488881 /nfs/dbraw/zinc/48/88/81/866488881.db2.gz FFGVEUJMRROABJ-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001350006317 866488888 /nfs/dbraw/zinc/48/88/88/866488888.db2.gz FFGVEUJMRROABJ-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001350197015 866527815 /nfs/dbraw/zinc/52/78/15/866527815.db2.gz PXUFXLSDRXOBPU-SHTZXODSSA-N 2 1 353.511 0.794 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(=O)NCC(F)(F)F ZINC001312995310 867223818 /nfs/dbraw/zinc/22/38/18/867223818.db2.gz VGUGPJGRYVLPMO-NSHDSACASA-N 2 1 355.405 0.236 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(=O)NCC(F)(F)F ZINC001312995310 867223836 /nfs/dbraw/zinc/22/38/36/867223836.db2.gz VGUGPJGRYVLPMO-NSHDSACASA-N 2 1 355.405 0.236 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001317078258 867518892 /nfs/dbraw/zinc/51/88/92/867518892.db2.gz MDFQJLYKSSTKSV-DDHJBXDOSA-N 2 1 350.385 0.242 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCS(=O)(=O)C1 ZINC001317541217 867539550 /nfs/dbraw/zinc/53/95/50/867539550.db2.gz VISFOKVLSJQUAK-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H]1CCS(=O)(=O)C1 ZINC001317541217 867539563 /nfs/dbraw/zinc/53/95/63/867539563.db2.gz VISFOKVLSJQUAK-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H]1CCS(=O)(=O)C1 ZINC001317541217 867539577 /nfs/dbraw/zinc/53/95/77/867539577.db2.gz VISFOKVLSJQUAK-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC001319627988 867966418 /nfs/dbraw/zinc/96/64/18/867966418.db2.gz YIAMHXLEYAYTAP-KURKYZTESA-N 2 1 351.539 0.107 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320064259 868073088 /nfs/dbraw/zinc/07/30/88/868073088.db2.gz PUQUHZWKIPUMGH-QGZVFWFLSA-N 2 1 353.507 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCC[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001358666289 868244714 /nfs/dbraw/zinc/24/47/14/868244714.db2.gz MNOFEQMGWVQWNT-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP OC[C@H]1C[N@@H+](CCOCC[NH+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC001323999214 869442114 /nfs/dbraw/zinc/44/21/14/869442114.db2.gz LJZZUSADMJBHLT-OKILXGFUSA-N 2 1 372.403 0.902 20 0 FCADMP OC[C@H]1C[NH+](CCOCC[N@@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC001323999214 869442123 /nfs/dbraw/zinc/44/21/23/869442123.db2.gz LJZZUSADMJBHLT-OKILXGFUSA-N 2 1 372.403 0.902 20 0 FCADMP OC[C@H]1C[NH+](CCOCC[N@H+]2CCC(F)(F)[C@H](CO)C2)CCC1(F)F ZINC001323999214 869442132 /nfs/dbraw/zinc/44/21/32/869442132.db2.gz LJZZUSADMJBHLT-OKILXGFUSA-N 2 1 372.403 0.902 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001343434016 870423344 /nfs/dbraw/zinc/42/33/44/870423344.db2.gz LPLXVMBIYDGCTB-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001343434016 870423352 /nfs/dbraw/zinc/42/33/52/870423352.db2.gz LPLXVMBIYDGCTB-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001343434016 870423359 /nfs/dbraw/zinc/42/33/59/870423359.db2.gz LPLXVMBIYDGCTB-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001343434020 870423416 /nfs/dbraw/zinc/42/34/16/870423416.db2.gz LPLXVMBIYDGCTB-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001343434020 870423426 /nfs/dbraw/zinc/42/34/26/870423426.db2.gz LPLXVMBIYDGCTB-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001343434020 870423437 /nfs/dbraw/zinc/42/34/37/870423437.db2.gz LPLXVMBIYDGCTB-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001345964228 871579489 /nfs/dbraw/zinc/57/94/89/871579489.db2.gz CPCLXJGALBWRMY-XSLAGTTESA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001345964228 871579495 /nfs/dbraw/zinc/57/94/95/871579495.db2.gz CPCLXJGALBWRMY-XSLAGTTESA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001345964228 871579503 /nfs/dbraw/zinc/57/95/03/871579503.db2.gz CPCLXJGALBWRMY-XSLAGTTESA-N 2 1 352.523 0.628 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001346205147 871707117 /nfs/dbraw/zinc/70/71/17/871707117.db2.gz ZOFSAOWAHLNHMJ-SFHVURJKSA-N 2 1 369.531 0.741 20 0 FCADMP Cc1nnc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC001346441424 871842939 /nfs/dbraw/zinc/84/29/39/871842939.db2.gz PLGVGWZPBGESHM-GASCZTMLSA-N 2 1 364.519 0.999 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)C2 ZINC001346537621 871890089 /nfs/dbraw/zinc/89/00/89/871890089.db2.gz KWCPJUVGJIKLHL-KGLIPLIRSA-N 2 1 365.503 0.611 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[NH+]2C)CC1 ZINC001346696766 871961961 /nfs/dbraw/zinc/96/19/61/871961961.db2.gz UYPKVDAYROPFRB-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001346696766 871961972 /nfs/dbraw/zinc/96/19/72/871961972.db2.gz UYPKVDAYROPFRB-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001346696766 871961988 /nfs/dbraw/zinc/96/19/88/871961988.db2.gz UYPKVDAYROPFRB-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001330006950 872416013 /nfs/dbraw/zinc/41/60/13/872416013.db2.gz CVRLSMILIIUXAI-BRWVUGGUSA-N 2 1 353.532 0.871 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885331 872520709 /nfs/dbraw/zinc/52/07/09/872520709.db2.gz TVKFXHTWLYIWRM-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001347885331 872520718 /nfs/dbraw/zinc/52/07/18/872520718.db2.gz TVKFXHTWLYIWRM-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001347885331 872520723 /nfs/dbraw/zinc/52/07/23/872520723.db2.gz TVKFXHTWLYIWRM-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001347885331 872520733 /nfs/dbraw/zinc/52/07/33/872520733.db2.gz TVKFXHTWLYIWRM-JKSUJKDBSA-N 2 1 354.495 0.855 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(=O)n4ccsc4n3)nn2)CC1 ZINC001330779847 872811383 /nfs/dbraw/zinc/81/13/83/872811383.db2.gz QVBKZQKKQUWCBQ-UHFFFAOYSA-N 2 1 359.459 0.361 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119788 872968112 /nfs/dbraw/zinc/96/81/12/872968112.db2.gz PXTJMZKWAJSQCG-OVYGPGRDSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001332517417 873540745 /nfs/dbraw/zinc/54/07/45/873540745.db2.gz QSTZTVBZZZAXNU-ZWKOTPCHSA-N 2 1 352.523 0.759 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264206 949420829 /nfs/dbraw/zinc/42/08/29/949420829.db2.gz MWRGDUYSARDFMJ-CJNGLKHVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717476 949738112 /nfs/dbraw/zinc/73/81/12/949738112.db2.gz WCNVCQFDCHAPHK-CHWSQXEVSA-N 2 1 358.450 0.284 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574963337 949750839 /nfs/dbraw/zinc/75/08/39/949750839.db2.gz IKLZZKNMIJFFNG-MJBXVCDLSA-N 2 1 372.477 0.933 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196697 950365149 /nfs/dbraw/zinc/36/51/49/950365149.db2.gz GAHHAXZAFUPHEJ-ZDUSSCGKSA-N 2 1 358.450 0.286 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203265 950440630 /nfs/dbraw/zinc/44/06/30/950440630.db2.gz FXNOAAJPGOXJNF-IYXRBSQSSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576205475 950517859 /nfs/dbraw/zinc/51/78/59/950517859.db2.gz YZZFCAGBNOAOSZ-CHWSQXEVSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576205480 950519755 /nfs/dbraw/zinc/51/97/55/950519755.db2.gz YZZFCAGBNOAOSZ-STQMWFEESA-N 2 1 358.450 0.332 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206256 950564159 /nfs/dbraw/zinc/56/41/59/950564159.db2.gz VVEZZJRWZHVHHS-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571026120 951469361 /nfs/dbraw/zinc/46/93/61/951469361.db2.gz SNBUXTRNKPCWJX-WKILWMFISA-N 2 1 366.429 0.809 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040161 951664076 /nfs/dbraw/zinc/66/40/76/951664076.db2.gz NNSLWMLKMASBSN-OAHLLOKOSA-N 2 1 367.457 0.653 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575099592 951837064 /nfs/dbraw/zinc/83/70/64/951837064.db2.gz NLNRGDOTBUCDOB-WCQYABFASA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099812 951840411 /nfs/dbraw/zinc/84/04/11/951840411.db2.gz OXBMAAIJWJXPQV-DGCLKSJQSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107046 951911512 /nfs/dbraw/zinc/91/15/12/951911512.db2.gz XXQCEQHLGYLUNM-XJKSGUPXSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113889 951949894 /nfs/dbraw/zinc/94/98/94/951949894.db2.gz HRVRBMVUKDFHKD-BBRMVZONSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571105212 952391560 /nfs/dbraw/zinc/39/15/60/952391560.db2.gz KBUMCJQGMCVAOI-HIFRSBDPSA-N 2 1 373.436 0.648 20 0 FCADMP COc1cc(C[NH+](CCO)C[C@@H](C)O)cc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000293331794 214164955 /nfs/dbraw/zinc/16/49/55/214164955.db2.gz MQEBNCUWYAVBLU-IYBDPMFKSA-N 2 1 370.490 0.045 20 0 FCADMP COc1cc(C[NH+](CCO)C[C@H](C)O)cc(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000293331794 214164957 /nfs/dbraw/zinc/16/49/57/214164957.db2.gz MQEBNCUWYAVBLU-IYBDPMFKSA-N 2 1 370.490 0.045 20 0 FCADMP COc1cc(C[NH+](CCO)C[C@H](C)O)cc(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000293331794 214164959 /nfs/dbraw/zinc/16/49/59/214164959.db2.gz MQEBNCUWYAVBLU-IYBDPMFKSA-N 2 1 370.490 0.045 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC000294828210 214266624 /nfs/dbraw/zinc/26/66/24/214266624.db2.gz DHARNFUFZUSDIY-KRWDZBQOSA-N 2 1 368.441 0.646 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294828210 214266628 /nfs/dbraw/zinc/26/66/28/214266628.db2.gz DHARNFUFZUSDIY-KRWDZBQOSA-N 2 1 368.441 0.646 20 0 FCADMP Cc1[nH+]ccn1CC[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295354559 214293247 /nfs/dbraw/zinc/29/32/47/214293247.db2.gz YSRJZVTZADABHM-UHFFFAOYSA-N 2 1 351.476 0.907 20 0 FCADMP Cc1[nH+]ccn1CC[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295354559 214293248 /nfs/dbraw/zinc/29/32/48/214293248.db2.gz YSRJZVTZADABHM-UHFFFAOYSA-N 2 1 351.476 0.907 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000299011776 214650185 /nfs/dbraw/zinc/65/01/85/214650185.db2.gz RWHLSIMRQJMHGB-HNNXBMFYSA-N 2 1 362.474 0.566 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000410729800 529831876 /nfs/dbraw/zinc/83/18/76/529831876.db2.gz KHZIXHMQUIJQFK-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410841124 529861209 /nfs/dbraw/zinc/86/12/09/529861209.db2.gz GSAAZPDQAQTQHN-FXAWDEMLSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410841124 529861211 /nfs/dbraw/zinc/86/12/11/529861211.db2.gz GSAAZPDQAQTQHN-FXAWDEMLSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410841124 529861212 /nfs/dbraw/zinc/86/12/12/529861212.db2.gz GSAAZPDQAQTQHN-FXAWDEMLSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410571386 529861231 /nfs/dbraw/zinc/86/12/31/529861231.db2.gz KISZVHRTHKPFRR-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410571386 529861232 /nfs/dbraw/zinc/86/12/32/529861232.db2.gz KISZVHRTHKPFRR-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000930652229 674046490 /nfs/dbraw/zinc/04/64/90/674046490.db2.gz INLGULCYIHOXLH-NVXWUHKLSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000930652229 674046495 /nfs/dbraw/zinc/04/64/95/674046495.db2.gz INLGULCYIHOXLH-NVXWUHKLSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000930652229 674046498 /nfs/dbraw/zinc/04/64/98/674046498.db2.gz INLGULCYIHOXLH-NVXWUHKLSA-N 2 1 350.507 0.942 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000930652229 674046485 /nfs/dbraw/zinc/04/64/85/674046485.db2.gz INLGULCYIHOXLH-NVXWUHKLSA-N 2 1 350.507 0.942 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000331697266 215036932 /nfs/dbraw/zinc/03/69/32/215036932.db2.gz WXFZZZLGLCRJFS-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331697266 215036934 /nfs/dbraw/zinc/03/69/34/215036934.db2.gz WXFZZZLGLCRJFS-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000331697266 215036938 /nfs/dbraw/zinc/03/69/38/215036938.db2.gz WXFZZZLGLCRJFS-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000331796489 215047399 /nfs/dbraw/zinc/04/73/99/215047399.db2.gz LILHLCJLEOAHEG-ZACQAIPSSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000331945266 215070679 /nfs/dbraw/zinc/07/06/79/215070679.db2.gz HBHBBBKVRLLBQD-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332022538 215080169 /nfs/dbraw/zinc/08/01/69/215080169.db2.gz GJSDOBOBTPMTKG-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1CC(C)(C)O ZINC000332022538 215080171 /nfs/dbraw/zinc/08/01/71/215080171.db2.gz GJSDOBOBTPMTKG-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000332022538 215080173 /nfs/dbraw/zinc/08/01/73/215080173.db2.gz GJSDOBOBTPMTKG-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000332022538 215080176 /nfs/dbraw/zinc/08/01/76/215080176.db2.gz GJSDOBOBTPMTKG-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332022540 215080501 /nfs/dbraw/zinc/08/05/01/215080501.db2.gz GJSDOBOBTPMTKG-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1CC(C)(C)O ZINC000332022540 215080504 /nfs/dbraw/zinc/08/05/04/215080504.db2.gz GJSDOBOBTPMTKG-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332022540 215080506 /nfs/dbraw/zinc/08/05/06/215080506.db2.gz GJSDOBOBTPMTKG-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332022540 215080510 /nfs/dbraw/zinc/08/05/10/215080510.db2.gz GJSDOBOBTPMTKG-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC[C@H]21 ZINC000332059758 215084036 /nfs/dbraw/zinc/08/40/36/215084036.db2.gz XGBSKAMWKMQWRX-BRWVUGGUSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000332128375 215098494 /nfs/dbraw/zinc/09/84/94/215098494.db2.gz HNFHLJHXWPEKOF-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000332128375 215098497 /nfs/dbraw/zinc/09/84/97/215098497.db2.gz HNFHLJHXWPEKOF-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000332128375 215098500 /nfs/dbraw/zinc/09/85/00/215098500.db2.gz HNFHLJHXWPEKOF-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000332155539 215102447 /nfs/dbraw/zinc/10/24/47/215102447.db2.gz ODTMZFLCVAAVFS-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000332155541 215102467 /nfs/dbraw/zinc/10/24/67/215102467.db2.gz ODTMZFLCVAAVFS-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000332167312 215104644 /nfs/dbraw/zinc/10/46/44/215104644.db2.gz VBJXJLULHNRIDV-CVEARBPZSA-N 2 1 359.474 0.447 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332268033 215119936 /nfs/dbraw/zinc/11/99/36/215119936.db2.gz GAMVFWLADYKAHE-HLLBOEOZSA-N 2 1 366.506 0.284 20 0 FCADMP COC(=O)[C@@H]1CSCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000332387758 215142184 /nfs/dbraw/zinc/14/21/84/215142184.db2.gz WFGSCLQQVSPLCI-AWEZNQCLSA-N 2 1 357.520 0.813 20 0 FCADMP COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000332387758 215142186 /nfs/dbraw/zinc/14/21/86/215142186.db2.gz WFGSCLQQVSPLCI-AWEZNQCLSA-N 2 1 357.520 0.813 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332646849 215198222 /nfs/dbraw/zinc/19/82/22/215198222.db2.gz XGDOTRBQVDAJMV-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332646854 215198322 /nfs/dbraw/zinc/19/83/22/215198322.db2.gz XGDOTRBQVDAJMV-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332707486 215206017 /nfs/dbraw/zinc/20/60/17/215206017.db2.gz ZGXRKNMJNGETRW-JKSUJKDBSA-N 2 1 366.506 0.251 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000332707486 215206020 /nfs/dbraw/zinc/20/60/20/215206020.db2.gz ZGXRKNMJNGETRW-JKSUJKDBSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000333125632 215239088 /nfs/dbraw/zinc/23/90/88/215239088.db2.gz CVNWGEFSPXPLRG-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333125632 215239091 /nfs/dbraw/zinc/23/90/91/215239091.db2.gz CVNWGEFSPXPLRG-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333125632 215239093 /nfs/dbraw/zinc/23/90/93/215239093.db2.gz CVNWGEFSPXPLRG-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333131911 215239464 /nfs/dbraw/zinc/23/94/64/215239464.db2.gz BUXIJEUSLUYUKV-XDNAFOTISA-N 2 1 372.517 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000333139688 215240607 /nfs/dbraw/zinc/24/06/07/215240607.db2.gz YLYGNOGMJCXYDP-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000333139688 215240609 /nfs/dbraw/zinc/24/06/09/215240609.db2.gz YLYGNOGMJCXYDP-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000333139688 215240612 /nfs/dbraw/zinc/24/06/12/215240612.db2.gz YLYGNOGMJCXYDP-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP Cn1ccnc1[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1C ZINC000333204012 215248932 /nfs/dbraw/zinc/24/89/32/215248932.db2.gz BKVMIIYMEBZZAO-DLBZAZTESA-N 2 1 361.490 0.879 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000333401864 215276460 /nfs/dbraw/zinc/27/64/60/215276460.db2.gz QCXKWJOKUFTNLX-IKGGRYGDSA-N 2 1 360.506 0.984 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333508802 215290782 /nfs/dbraw/zinc/29/07/82/215290782.db2.gz ITOUYVKWONUCRD-UXLLHSPISA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)C1 ZINC000333627431 215303707 /nfs/dbraw/zinc/30/37/07/215303707.db2.gz FZUDFYAIPYCPRO-KSZLIROESA-N 2 1 367.538 0.563 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333717279 215312918 /nfs/dbraw/zinc/31/29/18/215312918.db2.gz TYUKPRQLKRJTDM-KRWDZBQOSA-N 2 1 365.522 0.905 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333766059 215317804 /nfs/dbraw/zinc/31/78/04/215317804.db2.gz QIUSTKSQZSRXNL-INIZCTEOSA-N 2 1 354.495 0.339 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333766059 215317805 /nfs/dbraw/zinc/31/78/05/215317805.db2.gz QIUSTKSQZSRXNL-INIZCTEOSA-N 2 1 354.495 0.339 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000333804088 215319998 /nfs/dbraw/zinc/31/99/98/215319998.db2.gz ONODIXNDROQBBC-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333810493 215322235 /nfs/dbraw/zinc/32/22/35/215322235.db2.gz POJCMNXKIXWNON-IAGOWNOFSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333810493 215322238 /nfs/dbraw/zinc/32/22/38/215322238.db2.gz POJCMNXKIXWNON-IAGOWNOFSA-N 2 1 363.506 0.609 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000333804085 215320394 /nfs/dbraw/zinc/32/03/94/215320394.db2.gz ONODIXNDROQBBC-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333837822 215323218 /nfs/dbraw/zinc/32/32/18/215323218.db2.gz KPGIYHDSWRWVBZ-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333837822 215323222 /nfs/dbraw/zinc/32/32/22/215323222.db2.gz KPGIYHDSWRWVBZ-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333882538 215327453 /nfs/dbraw/zinc/32/74/53/215327453.db2.gz WMPXLXOZVPZMDW-NUJGCVRESA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333911883 215329412 /nfs/dbraw/zinc/32/94/12/215329412.db2.gz XLVYXTWBBJZNHI-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333912726 215331035 /nfs/dbraw/zinc/33/10/35/215331035.db2.gz XXXKIOLOUTYELY-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333912726 215331039 /nfs/dbraw/zinc/33/10/39/215331039.db2.gz XXXKIOLOUTYELY-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333941839 215333679 /nfs/dbraw/zinc/33/36/79/215333679.db2.gz PKQUNRFAKDQNLU-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000333941839 215333681 /nfs/dbraw/zinc/33/36/81/215333681.db2.gz PKQUNRFAKDQNLU-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000334091187 215342523 /nfs/dbraw/zinc/34/25/23/215342523.db2.gz OBBZKCAHKMQFMP-KRWDZBQOSA-N 2 1 354.495 0.605 20 0 FCADMP O=C(NCCN1CCCOCC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000334091187 215342526 /nfs/dbraw/zinc/34/25/26/215342526.db2.gz OBBZKCAHKMQFMP-KRWDZBQOSA-N 2 1 354.495 0.605 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545933 213356533 /nfs/dbraw/zinc/35/65/33/213356533.db2.gz IFEONXSMHZRTJB-YOEHRIQHSA-N 2 1 371.485 0.897 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285460418 213345138 /nfs/dbraw/zinc/34/51/38/213345138.db2.gz GVIOEVPVZQWPQV-KFKAGJAMSA-N 2 1 361.486 0.847 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285460418 213345143 /nfs/dbraw/zinc/34/51/43/213345143.db2.gz GVIOEVPVZQWPQV-KFKAGJAMSA-N 2 1 361.486 0.847 20 0 FCADMP C[N@@H+](CCCC(=O)NC(N)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285419236 213338373 /nfs/dbraw/zinc/33/83/73/213338373.db2.gz JPZLYLLWCNGXGC-UHFFFAOYSA-N 2 1 361.490 0.711 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000284623660 213181763 /nfs/dbraw/zinc/18/17/63/213181763.db2.gz QVTSLGSONQNTHU-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000284623660 213181767 /nfs/dbraw/zinc/18/17/67/213181767.db2.gz QVTSLGSONQNTHU-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000284623660 213181772 /nfs/dbraw/zinc/18/17/72/213181772.db2.gz QVTSLGSONQNTHU-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000284623660 213181773 /nfs/dbraw/zinc/18/17/73/213181773.db2.gz QVTSLGSONQNTHU-QGZVFWFLSA-N 2 1 372.513 0.961 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284461613 213144819 /nfs/dbraw/zinc/14/48/19/213144819.db2.gz QMEYVWHZSKKMBJ-HNNXBMFYSA-N 2 1 350.463 0.943 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284399111 213129872 /nfs/dbraw/zinc/12/98/72/213129872.db2.gz WHHXVMSPAUHIAS-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284399111 213129874 /nfs/dbraw/zinc/12/98/74/213129874.db2.gz WHHXVMSPAUHIAS-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000284392819 213129461 /nfs/dbraw/zinc/12/94/61/213129461.db2.gz SPWGBMAHGRIDSZ-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000284392819 213129464 /nfs/dbraw/zinc/12/94/64/213129464.db2.gz SPWGBMAHGRIDSZ-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284392819 213129467 /nfs/dbraw/zinc/12/94/67/213129467.db2.gz SPWGBMAHGRIDSZ-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284392819 213129471 /nfs/dbraw/zinc/12/94/71/213129471.db2.gz SPWGBMAHGRIDSZ-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000284390812 213126839 /nfs/dbraw/zinc/12/68/39/213126839.db2.gz VRDDEQVQBCHFPB-UHFFFAOYSA-N 2 1 369.469 0.872 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000284390812 213126844 /nfs/dbraw/zinc/12/68/44/213126844.db2.gz VRDDEQVQBCHFPB-UHFFFAOYSA-N 2 1 369.469 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284322110 213112703 /nfs/dbraw/zinc/11/27/03/213112703.db2.gz JKSSHUXLCFQXAI-RBSFLKMASA-N 2 1 350.463 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284322110 213112707 /nfs/dbraw/zinc/11/27/07/213112707.db2.gz JKSSHUXLCFQXAI-RBSFLKMASA-N 2 1 350.463 0.797 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000283935466 213037534 /nfs/dbraw/zinc/03/75/34/213037534.db2.gz KLWQXURPGCLBAE-UHFFFAOYSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764495 216027290 /nfs/dbraw/zinc/02/72/90/216027290.db2.gz WAZXMCNXHDCORE-OALUTQOASA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000366764495 216027293 /nfs/dbraw/zinc/02/72/93/216027293.db2.gz WAZXMCNXHDCORE-OALUTQOASA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000366764495 216027295 /nfs/dbraw/zinc/02/72/95/216027295.db2.gz WAZXMCNXHDCORE-OALUTQOASA-N 2 1 361.486 0.631 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000413259091 237300493 /nfs/dbraw/zinc/30/04/93/237300493.db2.gz BFBDRPBDCAPYJE-UHFFFAOYSA-N 2 1 372.510 0.086 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000367419427 216121019 /nfs/dbraw/zinc/12/10/19/216121019.db2.gz QXDYOKKVGWXRBH-UHFFFAOYSA-N 2 1 351.495 0.420 20 0 FCADMP COc1cnc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000367458012 216126274 /nfs/dbraw/zinc/12/62/74/216126274.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 2 1 358.490 0.481 20 0 FCADMP COc1cnc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000367458012 216126277 /nfs/dbraw/zinc/12/62/77/216126277.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 2 1 358.490 0.481 20 0 FCADMP COc1cnc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000367458012 216126281 /nfs/dbraw/zinc/12/62/81/216126281.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 2 1 358.490 0.481 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000367649657 216145628 /nfs/dbraw/zinc/14/56/28/216145628.db2.gz VWWWXASRMAZYEC-OAHLLOKOSA-N 2 1 359.536 0.924 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000367691581 216150442 /nfs/dbraw/zinc/15/04/42/216150442.db2.gz VJXCAARHOAXBDJ-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246713828 209398934 /nfs/dbraw/zinc/39/89/34/209398934.db2.gz FKPDVROZBNEKSB-KURKYZTESA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246713828 209398938 /nfs/dbraw/zinc/39/89/38/209398938.db2.gz FKPDVROZBNEKSB-KURKYZTESA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246713828 209398942 /nfs/dbraw/zinc/39/89/42/209398942.db2.gz FKPDVROZBNEKSB-KURKYZTESA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246713828 209398945 /nfs/dbraw/zinc/39/89/45/209398945.db2.gz FKPDVROZBNEKSB-KURKYZTESA-N 2 1 372.517 0.930 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)CC1=O ZINC000246595645 209393426 /nfs/dbraw/zinc/39/34/26/209393426.db2.gz FYTGTZPSCUDIES-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000246595645 209393429 /nfs/dbraw/zinc/39/34/29/209393429.db2.gz FYTGTZPSCUDIES-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000246595645 209393436 /nfs/dbraw/zinc/39/34/36/209393436.db2.gz FYTGTZPSCUDIES-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)CCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000237946265 209360337 /nfs/dbraw/zinc/36/03/37/209360337.db2.gz DNGKVXDRXRZCBD-UHFFFAOYSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)CCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000237946265 209360341 /nfs/dbraw/zinc/36/03/41/209360341.db2.gz DNGKVXDRXRZCBD-UHFFFAOYSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000195155133 209333505 /nfs/dbraw/zinc/33/35/05/209333505.db2.gz JWMZRYAEVVXNJF-KRWDZBQOSA-N 2 1 374.485 0.963 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236798199 209344812 /nfs/dbraw/zinc/34/48/12/209344812.db2.gz LRCJOAXJZLUYBD-OAHLLOKOSA-N 2 1 350.467 0.289 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3CN3CCOCC3)C[C@H]2C1 ZINC000194919290 209330144 /nfs/dbraw/zinc/33/01/44/209330144.db2.gz NQMQTIUFGJWECG-CALCHBBNSA-N 2 1 372.469 0.477 20 0 FCADMP CN(C(=O)NCCCN1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368360066 216237405 /nfs/dbraw/zinc/23/74/05/216237405.db2.gz GNHYCUPYCQMQCC-SFHVURJKSA-N 3 1 367.538 0.519 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369018365 216332542 /nfs/dbraw/zinc/33/25/42/216332542.db2.gz XZSOKQVMYKGSMR-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369018365 216332545 /nfs/dbraw/zinc/33/25/45/216332545.db2.gz XZSOKQVMYKGSMR-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000369025480 216333097 /nfs/dbraw/zinc/33/30/97/216333097.db2.gz DUHVLJXTNAENJD-ZACQAIPSSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000369025480 216333100 /nfs/dbraw/zinc/33/31/00/216333100.db2.gz DUHVLJXTNAENJD-ZACQAIPSSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000369025480 216333107 /nfs/dbraw/zinc/33/31/07/216333107.db2.gz DUHVLJXTNAENJD-ZACQAIPSSA-N 2 1 354.495 0.506 20 0 FCADMP Cn1cc(N2CC[C@@H]([NH+]3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000369194169 216361311 /nfs/dbraw/zinc/36/13/11/216361311.db2.gz ZLLCIRMHCPMOES-GOSISDBHSA-N 2 1 361.490 0.960 20 0 FCADMP C[C@@H](O)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CO ZINC000190812814 209277704 /nfs/dbraw/zinc/27/77/04/209277704.db2.gz LUJNUXMAHRYKLW-DLBZAZTESA-N 2 1 363.502 0.962 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369372270 216391188 /nfs/dbraw/zinc/39/11/88/216391188.db2.gz HJMVANZAUQDKCY-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372270 216391190 /nfs/dbraw/zinc/39/11/90/216391190.db2.gz HJMVANZAUQDKCY-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369864963 216461141 /nfs/dbraw/zinc/46/11/41/216461141.db2.gz ZWWPDGSBPNQXMZ-YESZJQIVSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000188882130 209240273 /nfs/dbraw/zinc/24/02/73/209240273.db2.gz FZJNTNWEDJTKEC-HZPDHXFCSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000188882130 209240277 /nfs/dbraw/zinc/24/02/77/209240277.db2.gz FZJNTNWEDJTKEC-HZPDHXFCSA-N 2 1 356.511 0.441 20 0 FCADMP CN(CCN1C(=O)NC(C)(C)C1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326231 209227248 /nfs/dbraw/zinc/22/72/48/209227248.db2.gz JDEFQMBYEHTFEH-FQEVSTJZSA-N 2 1 374.485 0.886 20 0 FCADMP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188326231 209227250 /nfs/dbraw/zinc/22/72/50/209227250.db2.gz JDEFQMBYEHTFEH-FQEVSTJZSA-N 2 1 374.485 0.886 20 0 FCADMP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188326231 209227253 /nfs/dbraw/zinc/22/72/53/209227253.db2.gz JDEFQMBYEHTFEH-FQEVSTJZSA-N 2 1 374.485 0.886 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000186638875 209193309 /nfs/dbraw/zinc/19/33/09/209193309.db2.gz IMLFLKRRGBGXHE-FUHWJXTLSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000276252253 212197550 /nfs/dbraw/zinc/19/75/50/212197550.db2.gz FVGPOLYLAVTFRU-LFAOLKIESA-N 2 1 362.478 0.399 20 0 FCADMP CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000276252253 212197551 /nfs/dbraw/zinc/19/75/51/212197551.db2.gz FVGPOLYLAVTFRU-LFAOLKIESA-N 2 1 362.478 0.399 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931435154 674114889 /nfs/dbraw/zinc/11/48/89/674114889.db2.gz HSRZTDVLZFAROW-HRCADAONSA-N 2 1 352.479 0.559 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000931435154 674114891 /nfs/dbraw/zinc/11/48/91/674114891.db2.gz HSRZTDVLZFAROW-HRCADAONSA-N 2 1 352.479 0.559 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000931435154 674114893 /nfs/dbraw/zinc/11/48/93/674114893.db2.gz HSRZTDVLZFAROW-HRCADAONSA-N 2 1 352.479 0.559 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NCc1ccnc(N2CCOCC2)c1 ZINC000275587786 212056234 /nfs/dbraw/zinc/05/62/34/212056234.db2.gz FETXPOAZQXZTNI-UHFFFAOYSA-N 2 1 363.462 0.440 20 0 FCADMP O=C(NCCN1CCCOCC1)NCc1ccnc(N2CCOCC2)c1 ZINC000275587786 212056238 /nfs/dbraw/zinc/05/62/38/212056238.db2.gz FETXPOAZQXZTNI-UHFFFAOYSA-N 2 1 363.462 0.440 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000414713101 245314722 /nfs/dbraw/zinc/31/47/22/245314722.db2.gz VQXIJZLQHDPXQU-CQSZACIVSA-N 2 1 360.458 0.955 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000414946464 245336295 /nfs/dbraw/zinc/33/62/95/245336295.db2.gz JQCKAQXFVIMMQC-QGZVFWFLSA-N 2 1 374.485 0.915 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@H+]1C1CC1 ZINC000414946381 245338786 /nfs/dbraw/zinc/33/87/86/245338786.db2.gz TXEYGIQUYKHGDN-SWLSCSKDSA-N 2 1 358.442 0.849 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)[N@H+]1CCO ZINC000415267000 245370935 /nfs/dbraw/zinc/37/09/35/245370935.db2.gz SRGJGZCCAQDZBR-OKILXGFUSA-N 2 1 360.458 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)[N@@H+]1CCO ZINC000415267000 245370943 /nfs/dbraw/zinc/37/09/43/245370943.db2.gz SRGJGZCCAQDZBR-OKILXGFUSA-N 2 1 360.458 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+](C2CC2)C1 ZINC000415258760 245370976 /nfs/dbraw/zinc/37/09/76/245370976.db2.gz SLAACEYUQZHOIN-AWEZNQCLSA-N 2 1 360.458 0.905 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000415258474 245371227 /nfs/dbraw/zinc/37/12/27/245371227.db2.gz SCGZDPASEVQBAL-QGZVFWFLSA-N 2 1 362.474 0.698 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000415301360 245381778 /nfs/dbraw/zinc/38/17/78/245381778.db2.gz AELRKHFDJRONJA-HUUCEWRRSA-N 2 1 362.474 0.960 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442696 217019680 /nfs/dbraw/zinc/01/96/80/217019680.db2.gz VZLWIJIIRXTAKF-IDHHARJASA-N 2 1 352.523 0.804 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442696 217019683 /nfs/dbraw/zinc/01/96/83/217019683.db2.gz VZLWIJIIRXTAKF-IDHHARJASA-N 2 1 352.523 0.804 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000374251895 217113671 /nfs/dbraw/zinc/11/36/71/217113671.db2.gz ZZCXGMAXZIQMKR-SJORKVTESA-N 2 1 367.538 0.253 20 0 FCADMP COC(=O)[C@]1(C)C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000374368627 217123594 /nfs/dbraw/zinc/12/35/94/217123594.db2.gz ZPMOICKWWVBVEN-GPMSIDNRSA-N 2 1 369.506 0.590 20 0 FCADMP COC(=O)[C@]1(C)C[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000374368627 217123598 /nfs/dbraw/zinc/12/35/98/217123598.db2.gz ZPMOICKWWVBVEN-GPMSIDNRSA-N 2 1 369.506 0.590 20 0 FCADMP COC(=O)[C@]1(C)C[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000374368627 217123600 /nfs/dbraw/zinc/12/36/00/217123600.db2.gz ZPMOICKWWVBVEN-GPMSIDNRSA-N 2 1 369.506 0.590 20 0 FCADMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374872531 217183650 /nfs/dbraw/zinc/18/36/50/217183650.db2.gz GTKJVHASPQIYAO-HNNXBMFYSA-N 2 1 362.478 0.712 20 0 FCADMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374872531 217183652 /nfs/dbraw/zinc/18/36/52/217183652.db2.gz GTKJVHASPQIYAO-HNNXBMFYSA-N 2 1 362.478 0.712 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182327782 209128844 /nfs/dbraw/zinc/12/88/44/209128844.db2.gz SEJHQHOFHJVOAB-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182327782 209128848 /nfs/dbraw/zinc/12/88/48/209128848.db2.gz SEJHQHOFHJVOAB-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP CN(CC(=O)N1CCN(c2cnccn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375749312 217308220 /nfs/dbraw/zinc/30/82/20/217308220.db2.gz DLQZYXUZMZIBTG-SJPCQFCGSA-N 2 1 358.490 0.682 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000375741742 217306017 /nfs/dbraw/zinc/30/60/17/217306017.db2.gz GTCIACTYYAQVIR-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000375741742 217306019 /nfs/dbraw/zinc/30/60/19/217306019.db2.gz GTCIACTYYAQVIR-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375741742 217306021 /nfs/dbraw/zinc/30/60/21/217306021.db2.gz GTCIACTYYAQVIR-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000375741742 217306022 /nfs/dbraw/zinc/30/60/22/217306022.db2.gz GTCIACTYYAQVIR-CVEARBPZSA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907349 217333603 /nfs/dbraw/zinc/33/36/03/217333603.db2.gz RQCLQKZCJORTFP-JKSUJKDBSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907349 217333605 /nfs/dbraw/zinc/33/36/05/217333605.db2.gz RQCLQKZCJORTFP-JKSUJKDBSA-N 2 1 353.511 0.709 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376313954 217382430 /nfs/dbraw/zinc/38/24/30/217382430.db2.gz LMHNDDCODCAIIT-HNSVSWJLSA-N 2 1 353.511 0.709 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000418851087 245865696 /nfs/dbraw/zinc/86/56/96/245865696.db2.gz PEEGRENIPVUHFS-ZBFHGGJFSA-N 2 1 362.474 0.530 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419089257 245978583 /nfs/dbraw/zinc/97/85/83/245978583.db2.gz SUOKUGMYBVQXCZ-RBSFLKMASA-N 2 1 354.495 0.106 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419128330 246002611 /nfs/dbraw/zinc/00/26/11/246002611.db2.gz AFSZGFHYNUYCBJ-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419130453 246004587 /nfs/dbraw/zinc/00/45/87/246004587.db2.gz BDNHJHXAOQCTSS-AWEZNQCLSA-N 2 1 352.504 0.802 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161600 246026026 /nfs/dbraw/zinc/02/60/26/246026026.db2.gz DNICLTMXBJDUDG-MSOLQXFVSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158812 246023228 /nfs/dbraw/zinc/02/32/28/246023228.db2.gz YIZOERTWGDQOKX-UONOGXRCSA-N 2 1 352.504 0.930 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158027 246025274 /nfs/dbraw/zinc/02/52/74/246025274.db2.gz XEKWCAYUWWMDMY-KBPBESRZSA-N 2 1 352.504 0.882 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)[nH+]1 ZINC000419136129 246011025 /nfs/dbraw/zinc/01/10/25/246011025.db2.gz ONWWYXHZZCXOIH-GDBMZVCRSA-N 2 1 373.501 0.918 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419146836 246015603 /nfs/dbraw/zinc/01/56/03/246015603.db2.gz IQWJVHYNMRMQSS-UONOGXRCSA-N 2 1 350.488 0.554 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)cc1 ZINC000419145006 246015921 /nfs/dbraw/zinc/01/59/21/246015921.db2.gz GCZYHIPRTBPZDX-OAHLLOKOSA-N 2 1 368.428 0.958 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419150189 246018026 /nfs/dbraw/zinc/01/80/26/246018026.db2.gz KWJMXCVWINSCJA-IKGGRYGDSA-N 2 1 350.507 0.539 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168347 246030142 /nfs/dbraw/zinc/03/01/42/246030142.db2.gz RRFGVVZZACPOQZ-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419171572 246032749 /nfs/dbraw/zinc/03/27/49/246032749.db2.gz PGDUSAGDPUQNFG-MSOLQXFVSA-N 2 1 358.486 0.617 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208006 246055308 /nfs/dbraw/zinc/05/53/08/246055308.db2.gz NPKVFRXOEYJCSH-CHWSQXEVSA-N 2 1 366.428 0.881 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208006 246055313 /nfs/dbraw/zinc/05/53/13/246055313.db2.gz NPKVFRXOEYJCSH-CHWSQXEVSA-N 2 1 366.428 0.881 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)CCC(F)(F)F ZINC000419207054 246055432 /nfs/dbraw/zinc/05/54/32/246055432.db2.gz LWPBAJVOJOBNLB-NEPJUHHUSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)CCC(F)(F)F ZINC000419207054 246055438 /nfs/dbraw/zinc/05/54/38/246055438.db2.gz LWPBAJVOJOBNLB-NEPJUHHUSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CCC(F)(F)F ZINC000419212818 246056452 /nfs/dbraw/zinc/05/64/52/246056452.db2.gz VHKGIEGMNYRPBX-NWDGAFQWSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CCC(F)(F)F ZINC000419212818 246056456 /nfs/dbraw/zinc/05/64/56/246056456.db2.gz VHKGIEGMNYRPBX-NWDGAFQWSA-N 2 1 352.401 0.573 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419212224 246056605 /nfs/dbraw/zinc/05/66/05/246056605.db2.gz UKKVFGZNOLBSAN-WIYYLYMNSA-N 2 1 370.497 0.979 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419211248 246057485 /nfs/dbraw/zinc/05/74/85/246057485.db2.gz SGOZOQCKWWMOCF-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)CCC(F)(F)F ZINC000419215766 246059501 /nfs/dbraw/zinc/05/95/01/246059501.db2.gz ZGAMLHOTASNJHU-OAHLLOKOSA-N 2 1 366.428 0.883 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)CCC(F)(F)F ZINC000419215766 246059504 /nfs/dbraw/zinc/05/95/04/246059504.db2.gz ZGAMLHOTASNJHU-OAHLLOKOSA-N 2 1 366.428 0.883 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419215374 246059927 /nfs/dbraw/zinc/05/99/27/246059927.db2.gz YUASMRWFYNKRHV-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419227200 246065057 /nfs/dbraw/zinc/06/50/57/246065057.db2.gz JYAJEOPLKWAQQZ-IAGOWNOFSA-N 2 1 350.507 0.955 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419229039 246066557 /nfs/dbraw/zinc/06/65/57/246066557.db2.gz NKGITDKDSVNDPQ-BQFCYCMXSA-N 2 1 360.502 0.985 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419198595 246048852 /nfs/dbraw/zinc/04/88/52/246048852.db2.gz CTDKDLVCSWEMHT-GOSISDBHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419199671 246048887 /nfs/dbraw/zinc/04/88/87/246048887.db2.gz DMRRCSLPODIYGK-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419229099 246067077 /nfs/dbraw/zinc/06/70/77/246067077.db2.gz NNWHFQZIXBZGQO-NXHRZFHOSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419229855 246068362 /nfs/dbraw/zinc/06/83/62/246068362.db2.gz IINSDQOVJMDVCA-JKSUJKDBSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419229855 246068367 /nfs/dbraw/zinc/06/83/67/246068367.db2.gz IINSDQOVJMDVCA-JKSUJKDBSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230870 246068745 /nfs/dbraw/zinc/06/87/45/246068745.db2.gz JCHMVQMRFICFNV-ARFHVFGLSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230870 246068749 /nfs/dbraw/zinc/06/87/49/246068749.db2.gz JCHMVQMRFICFNV-ARFHVFGLSA-N 2 1 358.486 0.745 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000419234054 246070585 /nfs/dbraw/zinc/07/05/85/246070585.db2.gz LSDOEGFHIFDDKA-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000419234054 246070590 /nfs/dbraw/zinc/07/05/90/246070590.db2.gz LSDOEGFHIFDDKA-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419233928 246070936 /nfs/dbraw/zinc/07/09/36/246070936.db2.gz LMJOAZQHZKOLPI-ATZDWAIDSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419233928 246070943 /nfs/dbraw/zinc/07/09/43/246070943.db2.gz LMJOAZQHZKOLPI-ATZDWAIDSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000419233908 246071135 /nfs/dbraw/zinc/07/11/35/246071135.db2.gz LLMWNLVIKMLAFG-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000419233908 246071139 /nfs/dbraw/zinc/07/11/39/246071139.db2.gz LLMWNLVIKMLAFG-UKRRQHHQSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000419235890 246071612 /nfs/dbraw/zinc/07/16/12/246071612.db2.gz ZPSYRZDDMUCYCI-CYGHRXIMSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234959 246071949 /nfs/dbraw/zinc/07/19/49/246071949.db2.gz YEXFZEFTHKXXMI-XYJFISCASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419241671 246073831 /nfs/dbraw/zinc/07/38/31/246073831.db2.gz RYJFIDOVWYOYQY-UKRRQHHQSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419241671 246073839 /nfs/dbraw/zinc/07/38/39/246073839.db2.gz RYJFIDOVWYOYQY-UKRRQHHQSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249260 246077020 /nfs/dbraw/zinc/07/70/20/246077020.db2.gz YLDRFBRHSNUALR-JLSDUUJJSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249260 246077024 /nfs/dbraw/zinc/07/70/24/246077024.db2.gz YLDRFBRHSNUALR-JLSDUUJJSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419251166 246077134 /nfs/dbraw/zinc/07/71/34/246077134.db2.gz ZVEVWTDSLFKHAR-JSGCOSHPSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419251166 246077138 /nfs/dbraw/zinc/07/71/38/246077138.db2.gz ZVEVWTDSLFKHAR-JSGCOSHPSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000419304639 246093780 /nfs/dbraw/zinc/09/37/80/246093780.db2.gz UXZBWOAWQQWVNW-RYQLBKOJSA-N 2 1 374.485 0.024 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)[nH+]c1 ZINC000419304947 246094208 /nfs/dbraw/zinc/09/42/08/246094208.db2.gz VJNIPSKTFUJBTG-INIZCTEOSA-N 2 1 361.490 0.965 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340332 246102646 /nfs/dbraw/zinc/10/26/46/246102646.db2.gz WMIZQHQLWDZTDH-QRVDHSFSSA-N 2 1 374.460 0.678 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000419392159 246130350 /nfs/dbraw/zinc/13/03/50/246130350.db2.gz KOZPEGHQGDECBZ-HXUWFJFHSA-N 2 1 358.486 0.667 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000419392159 246130355 /nfs/dbraw/zinc/13/03/55/246130355.db2.gz KOZPEGHQGDECBZ-HXUWFJFHSA-N 2 1 358.486 0.667 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419388387 246129410 /nfs/dbraw/zinc/12/94/10/246129410.db2.gz DMWZQICOOHHOMT-WZGPROSRSA-N 2 1 370.497 0.691 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419390607 246130007 /nfs/dbraw/zinc/13/00/07/246130007.db2.gz GNECVHSUMMEYCJ-HNNXBMFYSA-N 2 1 350.488 0.137 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000419358842 246115523 /nfs/dbraw/zinc/11/55/23/246115523.db2.gz QWDFLTVDSNYXHJ-QGZVFWFLSA-N 2 1 374.485 0.674 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419397084 246132534 /nfs/dbraw/zinc/13/25/34/246132534.db2.gz UEXAZBRKHCFUEF-RDJZCZTQSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419397084 246132543 /nfs/dbraw/zinc/13/25/43/246132543.db2.gz UEXAZBRKHCFUEF-RDJZCZTQSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419398135 246134191 /nfs/dbraw/zinc/13/41/91/246134191.db2.gz WLDKVUBBPLCGGT-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399421 246134618 /nfs/dbraw/zinc/13/46/18/246134618.db2.gz JUJXCOCOFBIANF-ZFWWWQNUSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399421 246134624 /nfs/dbraw/zinc/13/46/24/246134624.db2.gz JUJXCOCOFBIANF-ZFWWWQNUSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400999 246134949 /nfs/dbraw/zinc/13/49/49/246134949.db2.gz ABPAGAKGEPRDDG-QXSJWSMHSA-N 2 1 368.522 0.700 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000419404284 246136203 /nfs/dbraw/zinc/13/62/03/246136203.db2.gz FRZLLEBPXRJNTO-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403878 246137978 /nfs/dbraw/zinc/13/79/78/246137978.db2.gz SAOVTMXHIKTXKA-SZMVWBNQSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419406878 246138990 /nfs/dbraw/zinc/13/89/90/246138990.db2.gz JOBGPACMHLHCDP-IYBDPMFKSA-N 2 1 350.507 0.897 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000419404340 246139436 /nfs/dbraw/zinc/13/94/36/246139436.db2.gz FXLZXXKXTFZFEC-MDMSPXHWSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408670 246140663 /nfs/dbraw/zinc/14/06/63/246140663.db2.gz CTQGWNOCCVOWEK-RCCFBDPRSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408670 246140668 /nfs/dbraw/zinc/14/06/68/246140668.db2.gz CTQGWNOCCVOWEK-RCCFBDPRSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409917 246143668 /nfs/dbraw/zinc/14/36/68/246143668.db2.gz FUQTXVYXILIORA-DLBZAZTESA-N 2 1 362.474 0.118 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409917 246143671 /nfs/dbraw/zinc/14/36/71/246143671.db2.gz FUQTXVYXILIORA-DLBZAZTESA-N 2 1 362.474 0.118 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCO1 ZINC000419428624 246160346 /nfs/dbraw/zinc/16/03/46/246160346.db2.gz TZWQWZONGTXQOO-SFHVURJKSA-N 2 1 374.485 0.127 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419449691 246169383 /nfs/dbraw/zinc/16/93/83/246169383.db2.gz KFYLVJYEZFJELN-JKSUJKDBSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419418562 246151748 /nfs/dbraw/zinc/15/17/48/246151748.db2.gz IHNLIBIEPQAVRR-APWZRJJASA-N 2 1 372.513 0.994 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419505268 246182257 /nfs/dbraw/zinc/18/22/57/246182257.db2.gz LKKACWYQEIYNFW-SJLPKXTDSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501887 246182780 /nfs/dbraw/zinc/18/27/80/246182780.db2.gz FKEXCYIMKWFCRZ-SJORKVTESA-N 2 1 373.501 0.182 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419503847 246183508 /nfs/dbraw/zinc/18/35/08/246183508.db2.gz IKEKRXCJDSZJEJ-MRXNPFEDSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501884 246183606 /nfs/dbraw/zinc/18/36/06/246183606.db2.gz FKEXCYIMKWFCRZ-DLBZAZTESA-N 2 1 373.501 0.182 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419504502 246183788 /nfs/dbraw/zinc/18/37/88/246183788.db2.gz GSYLDPSFLYTAJQ-GBESFXJTSA-N 2 1 370.497 0.693 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511084 246186669 /nfs/dbraw/zinc/18/66/69/246186669.db2.gz VCPZGZUBLPCDAN-MRXNPFEDSA-N 2 1 373.501 0.182 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000419517524 246186988 /nfs/dbraw/zinc/18/69/88/246186988.db2.gz XBYSFIILNVDPDO-ULQDDVLXSA-N 2 1 374.485 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419523778 246190912 /nfs/dbraw/zinc/19/09/12/246190912.db2.gz BFBFLVSGLOWCGY-AHCXZYCDSA-N 2 1 358.486 0.819 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419530532 246191620 /nfs/dbraw/zinc/19/16/20/246191620.db2.gz DVEIZNWHXSMDRI-MRXNPFEDSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470508 246173011 /nfs/dbraw/zinc/17/30/11/246173011.db2.gz FLRXDFROEZVNAS-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419475105 246176691 /nfs/dbraw/zinc/17/66/91/246176691.db2.gz DEOHBHYZKMVLFK-BBWFWOEESA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419475124 246176943 /nfs/dbraw/zinc/17/69/43/246176943.db2.gz DIMKSXYOXZJGPU-IYBDPMFKSA-N 2 1 350.507 0.897 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000419586452 246211981 /nfs/dbraw/zinc/21/19/81/246211981.db2.gz MYRIHQMYWUNWEO-ISTRZQFTSA-N 2 1 362.449 0.678 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000419536237 246195804 /nfs/dbraw/zinc/19/58/04/246195804.db2.gz UIXQWYZSURTOFZ-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419665139 246236862 /nfs/dbraw/zinc/23/68/62/246236862.db2.gz SVYCWZLLDVUMMC-BPQIPLTHSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419665152 246237220 /nfs/dbraw/zinc/23/72/20/246237220.db2.gz SXPWAVCIYHKDOC-JFIYKMOQSA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419686899 246249555 /nfs/dbraw/zinc/24/95/55/246249555.db2.gz CXNCKFOJYYLQRM-UHFFFAOYSA-N 2 1 364.462 0.174 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419701390 246257824 /nfs/dbraw/zinc/25/78/24/246257824.db2.gz ASJXIQXWGZXAFX-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419698935 246258014 /nfs/dbraw/zinc/25/80/14/246258014.db2.gz UQUPMBHWLRLCBS-FUHWJXTLSA-N 2 1 371.485 0.688 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419698935 246258019 /nfs/dbraw/zinc/25/80/19/246258019.db2.gz UQUPMBHWLRLCBS-FUHWJXTLSA-N 2 1 371.485 0.688 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419701914 246258367 /nfs/dbraw/zinc/25/83/67/246258367.db2.gz BLDPJDWPTXOPBM-ONIAQPFYSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419704100 246258470 /nfs/dbraw/zinc/25/84/70/246258470.db2.gz GABRMOHQNWYGNA-MDYRTPRTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702968 246258596 /nfs/dbraw/zinc/25/85/96/246258596.db2.gz CVAGTEUAGLQVTG-DZJNRPSUSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702970 246258826 /nfs/dbraw/zinc/25/88/26/246258826.db2.gz CVAGTEUAGLQVTG-NRSFXHEJSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419703464 246258971 /nfs/dbraw/zinc/25/89/71/246258971.db2.gz DHEPOEIPNFXXCA-FZCLSBEQSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419707245 246260785 /nfs/dbraw/zinc/26/07/85/246260785.db2.gz LVNOYDYLMDZUPS-AHCXZYCDSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000419707856 246261410 /nfs/dbraw/zinc/26/14/10/246261410.db2.gz MJHWRTUDNPEHHJ-MMOPVJDHSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000419707857 246262006 /nfs/dbraw/zinc/26/20/06/246262006.db2.gz MJHWRTUDNPEHHJ-PLMTUMEDSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419715905 246268127 /nfs/dbraw/zinc/26/81/27/246268127.db2.gz ZZDKUUFOXIHFCX-YFHUEUNASA-N 2 1 358.486 0.974 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000419758258 246285349 /nfs/dbraw/zinc/28/53/49/246285349.db2.gz JTDAMSFEGNFSMM-BBRMVZONSA-N 2 1 350.438 0.569 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000419757851 246285846 /nfs/dbraw/zinc/28/58/46/246285846.db2.gz JAZZRQBCOFQREY-ZIAGYGMSSA-N 2 1 350.438 0.583 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419769854 246290813 /nfs/dbraw/zinc/29/08/13/246290813.db2.gz WGOPUQOLCBRWGH-ZWKOTPCHSA-N 2 1 374.485 0.199 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccc(F)cc1 ZINC000419767389 246290898 /nfs/dbraw/zinc/29/08/98/246290898.db2.gz ZWXLNBSNBZVDME-OAHLLOKOSA-N 2 1 364.465 0.961 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419801203 246299086 /nfs/dbraw/zinc/29/90/86/246299086.db2.gz AWFCFVLBSXWOHF-IXDOHACOSA-N 2 1 374.485 0.991 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419845236 246317741 /nfs/dbraw/zinc/31/77/41/246317741.db2.gz PKEPLPSTBLUOFY-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419845236 246317743 /nfs/dbraw/zinc/31/77/43/246317743.db2.gz PKEPLPSTBLUOFY-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419845237 246318311 /nfs/dbraw/zinc/31/83/11/246318311.db2.gz PKEPLPSTBLUOFY-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419845237 246318316 /nfs/dbraw/zinc/31/83/16/246318316.db2.gz PKEPLPSTBLUOFY-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850384 246321032 /nfs/dbraw/zinc/32/10/32/246321032.db2.gz LHXBQARYLGKHHI-HZPDHXFCSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850384 246321034 /nfs/dbraw/zinc/32/10/34/246321034.db2.gz LHXBQARYLGKHHI-HZPDHXFCSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000419851810 246321644 /nfs/dbraw/zinc/32/16/44/246321644.db2.gz JRGBNVDLVHNJDB-UHFFFAOYSA-N 2 1 367.538 0.169 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419854410 246324490 /nfs/dbraw/zinc/32/44/90/246324490.db2.gz GIAPXGFHIPTGSI-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419854410 246324494 /nfs/dbraw/zinc/32/44/94/246324494.db2.gz GIAPXGFHIPTGSI-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419858088 246328248 /nfs/dbraw/zinc/32/82/48/246328248.db2.gz HLSAGTMJHAEPRH-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419930557 246374424 /nfs/dbraw/zinc/37/44/24/246374424.db2.gz YNAWNQJOGCUJNQ-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419876409 246342965 /nfs/dbraw/zinc/34/29/65/246342965.db2.gz PPSDZGFLDNSAKN-IAGOWNOFSA-N 2 1 367.538 0.118 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419891048 246353629 /nfs/dbraw/zinc/35/36/29/246353629.db2.gz MQWVNHSAIWVHFM-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419891048 246353633 /nfs/dbraw/zinc/35/36/33/246353633.db2.gz MQWVNHSAIWVHFM-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419906438 246362546 /nfs/dbraw/zinc/36/25/46/246362546.db2.gz CCNFWIYTLVWAQW-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419906438 246362552 /nfs/dbraw/zinc/36/25/52/246362552.db2.gz CCNFWIYTLVWAQW-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419973513 246397442 /nfs/dbraw/zinc/39/74/42/246397442.db2.gz JCMPPWOBIHITBO-BBWFWOEESA-N 2 1 367.538 0.103 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000420021871 246421774 /nfs/dbraw/zinc/42/17/74/246421774.db2.gz UPGSAIRCYBMDID-OXJNMPFZSA-N 2 1 358.486 0.965 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000420073580 246452753 /nfs/dbraw/zinc/45/27/53/246452753.db2.gz YISLCZCNZMGKBD-HOTGVXAUSA-N 2 1 359.474 0.672 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000423369888 247014043 /nfs/dbraw/zinc/01/40/43/247014043.db2.gz CKAFBIDEHCOKDU-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000423369888 247014048 /nfs/dbraw/zinc/01/40/48/247014048.db2.gz CKAFBIDEHCOKDU-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423390770 247018998 /nfs/dbraw/zinc/01/89/98/247018998.db2.gz KLEXYYMFLBPKIW-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423309169 247000471 /nfs/dbraw/zinc/00/04/71/247000471.db2.gz PLLKMIJYIAIECP-BPQIPLTHSA-N 2 1 358.486 0.773 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423529934 247045026 /nfs/dbraw/zinc/04/50/26/247045026.db2.gz QPYHIWNASJYWCQ-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423529934 247045029 /nfs/dbraw/zinc/04/50/29/247045029.db2.gz QPYHIWNASJYWCQ-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423696743 247113583 /nfs/dbraw/zinc/11/35/83/247113583.db2.gz MFADMUCZAUZZNZ-JKSUJKDBSA-N 2 1 354.495 0.333 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423632122 247086103 /nfs/dbraw/zinc/08/61/03/247086103.db2.gz NSIZMXRYFPJFFL-GBESFXJTSA-N 2 1 370.497 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)[C@H](C)C[NH2+]1 ZINC000423647263 247090668 /nfs/dbraw/zinc/09/06/68/247090668.db2.gz HSILIHFRTYQFJN-LMSBXDPUSA-N 2 1 373.501 0.742 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)[C@@H](C)C[NH2+]1 ZINC000423647262 247090878 /nfs/dbraw/zinc/09/08/78/247090878.db2.gz HSILIHFRTYQFJN-LAQRGFTBSA-N 2 1 373.501 0.742 20 0 FCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423928448 247153363 /nfs/dbraw/zinc/15/33/63/247153363.db2.gz SEDMAXAABNZZQT-DYEKYZERSA-N 2 1 350.442 0.716 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc[nH+]1 ZINC000423930483 247153496 /nfs/dbraw/zinc/15/34/96/247153496.db2.gz WIDAWIOMVYEMHK-ZDEQEGDKSA-N 2 1 354.405 0.276 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000423714983 247121337 /nfs/dbraw/zinc/12/13/37/247121337.db2.gz GWMDWIKCTRBTAJ-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423726651 247128701 /nfs/dbraw/zinc/12/87/01/247128701.db2.gz UGQNANHFXMRNJP-SOUVJXGZSA-N 2 1 354.495 0.140 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000423737801 247133849 /nfs/dbraw/zinc/13/38/49/247133849.db2.gz PXXWNAHEQUBZMO-HOTGVXAUSA-N 2 1 368.522 0.389 20 0 FCADMP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424058464 247163914 /nfs/dbraw/zinc/16/39/14/247163914.db2.gz LCCGYPVBMJIRHY-ZDUSSCGKSA-N 2 1 355.446 0.934 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000424125646 247169596 /nfs/dbraw/zinc/16/95/96/247169596.db2.gz ANPSKJBPMYMWFT-ZNMIVQPWSA-N 2 1 350.467 0.432 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000424495087 247239849 /nfs/dbraw/zinc/23/98/49/247239849.db2.gz PDDJZUSRLZDQIS-LSDHHAIUSA-N 2 1 354.495 0.284 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424495175 247239980 /nfs/dbraw/zinc/23/99/80/247239980.db2.gz PPSUFHUMFGELAB-BPQIPLTHSA-N 2 1 356.470 0.540 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000424498030 247242041 /nfs/dbraw/zinc/24/20/41/247242041.db2.gz YKJJJKHKJMFNRV-LSDHHAIUSA-N 2 1 354.495 0.141 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424522062 247250709 /nfs/dbraw/zinc/25/07/09/247250709.db2.gz MMWAZTHZVUYVNU-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424536818 247254249 /nfs/dbraw/zinc/25/42/49/247254249.db2.gz BOFWFYDJIZWSSA-RCCFBDPRSA-N 2 1 356.470 0.573 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000424548910 247259568 /nfs/dbraw/zinc/25/95/68/247259568.db2.gz QMKIAMXDWLAHTG-ARFHVFGLSA-N 2 1 366.506 0.060 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425384231 247330773 /nfs/dbraw/zinc/33/07/73/247330773.db2.gz JPEACMSELHELIJ-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425409108 247338008 /nfs/dbraw/zinc/33/80/08/247338008.db2.gz YEHCGWJGTSBQJI-UHFFFAOYSA-N 2 1 370.538 0.746 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000425446807 247342503 /nfs/dbraw/zinc/34/25/03/247342503.db2.gz QWJMANBINIXPLW-OAHLLOKOSA-N 2 1 369.510 0.078 20 0 FCADMP CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625470 248002913 /nfs/dbraw/zinc/00/29/13/248002913.db2.gz LQGHAMBCCWWKBE-QZTJIDSGSA-N 2 1 354.539 0.923 20 0 FCADMP Cn1ccnc1C[N@H+](CCC(=O)N1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681522 248009667 /nfs/dbraw/zinc/00/96/67/248009667.db2.gz KPCRAYYVHFLDKP-INIZCTEOSA-N 2 1 361.490 0.613 20 0 FCADMP Cn1ccnc1C[N@@H+](CCC(=O)N1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681522 248009670 /nfs/dbraw/zinc/00/96/70/248009670.db2.gz KPCRAYYVHFLDKP-INIZCTEOSA-N 2 1 361.490 0.613 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000436061482 248030536 /nfs/dbraw/zinc/03/05/36/248030536.db2.gz PTMZNVRDXSMDAW-INIZCTEOSA-N 2 1 357.462 0.524 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000436057833 248030607 /nfs/dbraw/zinc/03/06/07/248030607.db2.gz HGLUBZQTSBWWHG-MRXNPFEDSA-N 2 1 362.474 0.501 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000436057833 248030610 /nfs/dbraw/zinc/03/06/10/248030610.db2.gz HGLUBZQTSBWWHG-MRXNPFEDSA-N 2 1 362.474 0.501 20 0 FCADMP COc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436063756 248031396 /nfs/dbraw/zinc/03/13/96/248031396.db2.gz LAMGCUKCPNLKHK-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP COc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436063756 248031398 /nfs/dbraw/zinc/03/13/98/248031398.db2.gz LAMGCUKCPNLKHK-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP Cc1cccn2c(=O)cc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])nc12 ZINC000436061140 248031673 /nfs/dbraw/zinc/03/16/73/248031673.db2.gz GQBFRSGLWUQARF-MRXNPFEDSA-N 2 1 357.458 0.822 20 0 FCADMP Cc1cccn2c(=O)cc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])nc12 ZINC000436061140 248031676 /nfs/dbraw/zinc/03/16/76/248031676.db2.gz GQBFRSGLWUQARF-MRXNPFEDSA-N 2 1 357.458 0.822 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440974088 248228355 /nfs/dbraw/zinc/22/83/55/248228355.db2.gz BCXMAMZCBHWIEI-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775628 248297403 /nfs/dbraw/zinc/29/74/03/248297403.db2.gz ASQRCCIQOACMDP-WBVHZDCISA-N 2 1 374.485 0.444 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442775628 248297406 /nfs/dbraw/zinc/29/74/06/248297406.db2.gz ASQRCCIQOACMDP-WBVHZDCISA-N 2 1 374.485 0.444 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270806369 211271922 /nfs/dbraw/zinc/27/19/22/211271922.db2.gz XFBVXQATEHLXRH-YJBOKZPZSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270806369 211271927 /nfs/dbraw/zinc/27/19/27/211271927.db2.gz XFBVXQATEHLXRH-YJBOKZPZSA-N 2 1 373.501 0.898 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471651746 250113959 /nfs/dbraw/zinc/11/39/59/250113959.db2.gz AHXMHYMUKJKXOT-HDICACEKSA-N 2 1 369.554 0.765 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000472285652 250143733 /nfs/dbraw/zinc/14/37/33/250143733.db2.gz XWJLOWDPZGUZMR-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000472285652 250143736 /nfs/dbraw/zinc/14/37/36/250143736.db2.gz XWJLOWDPZGUZMR-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084906 250269491 /nfs/dbraw/zinc/26/94/91/250269491.db2.gz ZWVUTQUVYYWQGN-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000473872047 250254763 /nfs/dbraw/zinc/25/47/63/250254763.db2.gz CHQUNLYHPYTTGP-KRWDZBQOSA-N 2 1 370.538 0.878 20 0 FCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000480919208 250295849 /nfs/dbraw/zinc/29/58/49/250295849.db2.gz XBHIZJOZCWLTQF-OWCLPIDISA-N 2 1 370.563 0.634 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000480919208 250295852 /nfs/dbraw/zinc/29/58/52/250295852.db2.gz XBHIZJOZCWLTQF-OWCLPIDISA-N 2 1 370.563 0.634 20 0 FCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000480931927 250297875 /nfs/dbraw/zinc/29/78/75/250297875.db2.gz JKFRCPHEIGLTOT-OAHLLOKOSA-N 2 1 370.563 0.778 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000480931927 250297877 /nfs/dbraw/zinc/29/78/77/250297877.db2.gz JKFRCPHEIGLTOT-OAHLLOKOSA-N 2 1 370.563 0.778 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930869 250297960 /nfs/dbraw/zinc/29/79/60/250297960.db2.gz IQRVRRKWEUAOKX-OWCLPIDISA-N 2 1 356.511 0.163 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000480868011 250287910 /nfs/dbraw/zinc/28/79/10/250287910.db2.gz DFKLHYVBVUKPBZ-HIFRSBDPSA-N 2 1 357.524 0.823 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000480868011 250287914 /nfs/dbraw/zinc/28/79/14/250287914.db2.gz DFKLHYVBVUKPBZ-HIFRSBDPSA-N 2 1 357.524 0.823 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000481858536 250368634 /nfs/dbraw/zinc/36/86/34/250368634.db2.gz VQWDNIDUNQYJMX-CVEARBPZSA-N 2 1 356.511 0.260 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000482532976 250392787 /nfs/dbraw/zinc/39/27/87/250392787.db2.gz LGZWTAIZJGIFLQ-GOEBONIOSA-N 2 1 357.462 0.900 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+](C)C1 ZINC000413503985 532991811 /nfs/dbraw/zinc/99/18/11/532991811.db2.gz SWMMLGICRMCGIG-OAHLLOKOSA-N 2 1 352.479 0.607 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413160521 532996943 /nfs/dbraw/zinc/99/69/43/532996943.db2.gz CYFLJEXNUVSKJB-BZUAXINKSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413160521 532996948 /nfs/dbraw/zinc/99/69/48/532996948.db2.gz CYFLJEXNUVSKJB-BZUAXINKSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413160521 532996955 /nfs/dbraw/zinc/99/69/55/532996955.db2.gz CYFLJEXNUVSKJB-BZUAXINKSA-N 2 1 354.495 0.853 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079067514 208089493 /nfs/dbraw/zinc/08/94/93/208089493.db2.gz YMJNDWYEUQQHAU-UHFFFAOYSA-N 2 1 354.495 0.463 20 0 FCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000107369384 208243328 /nfs/dbraw/zinc/24/33/28/208243328.db2.gz XTKYLQASNSXHSL-INIZCTEOSA-N 2 1 356.470 0.994 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000109406858 208256163 /nfs/dbraw/zinc/25/61/63/208256163.db2.gz XKKFBFOFZSEZTI-UHFFFAOYSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931873742 674149212 /nfs/dbraw/zinc/14/92/12/674149212.db2.gz WLMBGRXHGINNPL-MRXNPFEDSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931873742 674149213 /nfs/dbraw/zinc/14/92/13/674149213.db2.gz WLMBGRXHGINNPL-MRXNPFEDSA-N 2 1 350.438 0.536 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112507900 208295912 /nfs/dbraw/zinc/29/59/12/208295912.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 1 374.489 0.492 20 0 FCADMP CN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112507900 208295918 /nfs/dbraw/zinc/29/59/18/208295918.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 1 374.489 0.492 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931875711 674149502 /nfs/dbraw/zinc/14/95/02/674149502.db2.gz CXOYRSCMVXNCNH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931875711 674149501 /nfs/dbraw/zinc/14/95/01/674149501.db2.gz CXOYRSCMVXNCNH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC1 ZINC000115882725 208327246 /nfs/dbraw/zinc/32/72/46/208327246.db2.gz IACCBUFCUMZOBZ-UHFFFAOYSA-N 2 1 374.485 0.876 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC1 ZINC000115882725 208327253 /nfs/dbraw/zinc/32/72/53/208327253.db2.gz IACCBUFCUMZOBZ-UHFFFAOYSA-N 2 1 374.485 0.876 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000115882725 208327260 /nfs/dbraw/zinc/32/72/60/208327260.db2.gz IACCBUFCUMZOBZ-UHFFFAOYSA-N 2 1 374.485 0.876 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000115882725 208327266 /nfs/dbraw/zinc/32/72/66/208327266.db2.gz IACCBUFCUMZOBZ-UHFFFAOYSA-N 2 1 374.485 0.876 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931875711 674149504 /nfs/dbraw/zinc/14/95/04/674149504.db2.gz CXOYRSCMVXNCNH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931875711 674149505 /nfs/dbraw/zinc/14/95/05/674149505.db2.gz CXOYRSCMVXNCNH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246713822 209397883 /nfs/dbraw/zinc/39/78/83/209397883.db2.gz FKPDVROZBNEKSB-FGTMMUONSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246713822 209397888 /nfs/dbraw/zinc/39/78/88/209397888.db2.gz FKPDVROZBNEKSB-FGTMMUONSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246713822 209397890 /nfs/dbraw/zinc/39/78/90/209397890.db2.gz FKPDVROZBNEKSB-FGTMMUONSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246713822 209397895 /nfs/dbraw/zinc/39/78/95/209397895.db2.gz FKPDVROZBNEKSB-FGTMMUONSA-N 2 1 372.517 0.930 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000177381638 209023261 /nfs/dbraw/zinc/02/32/61/209023261.db2.gz YSBPCLASPJMZHG-UHFFFAOYSA-N 2 1 365.522 0.809 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC[N@@H+](C)C1 ZINC000413375535 533479398 /nfs/dbraw/zinc/47/93/98/533479398.db2.gz MXULALXZPHHQEN-HOTGVXAUSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375535 533479405 /nfs/dbraw/zinc/47/94/05/533479405.db2.gz MXULALXZPHHQEN-HOTGVXAUSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375535 533479407 /nfs/dbraw/zinc/47/94/07/533479407.db2.gz MXULALXZPHHQEN-HOTGVXAUSA-N 2 1 354.495 0.711 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000932209628 674173621 /nfs/dbraw/zinc/17/36/21/674173621.db2.gz WYQUMFLAWPQZSN-INIZCTEOSA-N 2 1 351.495 0.371 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000932209628 674173623 /nfs/dbraw/zinc/17/36/23/674173623.db2.gz WYQUMFLAWPQZSN-INIZCTEOSA-N 2 1 351.495 0.371 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000188443767 229247764 /nfs/dbraw/zinc/24/77/64/229247764.db2.gz GIQWAUAWYXDHGH-MRXNPFEDSA-N 2 1 370.538 0.974 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410433134 230078009 /nfs/dbraw/zinc/07/80/09/230078009.db2.gz KZKSSHSVCPVOTI-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410433137 230078490 /nfs/dbraw/zinc/07/84/90/230078490.db2.gz KZKSSHSVCPVOTI-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410503308 230108760 /nfs/dbraw/zinc/10/87/60/230108760.db2.gz MOJJAYYXTNUHKO-MRXNPFEDSA-N 2 1 356.511 0.356 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410732514 230224284 /nfs/dbraw/zinc/22/42/84/230224284.db2.gz LKOGJQSXEGPQFP-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410738300 230227440 /nfs/dbraw/zinc/22/74/40/230227440.db2.gz WEVNAXFWOGJQKK-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000363650237 488868792 /nfs/dbraw/zinc/86/87/92/488868792.db2.gz DADWOVDSFNQTKC-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000287490992 488874347 /nfs/dbraw/zinc/87/43/47/488874347.db2.gz FZLKSTMPROTYAN-HNNXBMFYSA-N 2 1 352.454 0.966 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000287490992 488874350 /nfs/dbraw/zinc/87/43/50/488874350.db2.gz FZLKSTMPROTYAN-HNNXBMFYSA-N 2 1 352.454 0.966 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000364048077 488917421 /nfs/dbraw/zinc/91/74/21/488917421.db2.gz NOGAWZXVCGJLTN-AEFFLSMTSA-N 2 1 371.547 0.987 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000364053236 488918272 /nfs/dbraw/zinc/91/82/72/488918272.db2.gz DAWXVLAPGADYNA-OWCLPIDISA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000364053236 488918274 /nfs/dbraw/zinc/91/82/74/488918274.db2.gz DAWXVLAPGADYNA-OWCLPIDISA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000364053236 488918276 /nfs/dbraw/zinc/91/82/76/488918276.db2.gz DAWXVLAPGADYNA-OWCLPIDISA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000364053236 488918279 /nfs/dbraw/zinc/91/82/79/488918279.db2.gz DAWXVLAPGADYNA-OWCLPIDISA-N 2 1 368.478 0.128 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000327704581 488920634 /nfs/dbraw/zinc/92/06/34/488920634.db2.gz YHCNXCZYJYUWPT-OAHLLOKOSA-N 2 1 368.503 0.224 20 0 FCADMP C[NH+](C)CCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000042921582 487882400 /nfs/dbraw/zinc/88/24/00/487882400.db2.gz PWPVWCYFRXWEBR-UHFFFAOYSA-N 2 1 361.490 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000047979772 488052612 /nfs/dbraw/zinc/05/26/12/488052612.db2.gz SPQYBOVZUOEGJF-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP CCOC(=O)CCCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957381 488152859 /nfs/dbraw/zinc/15/28/59/488152859.db2.gz GLXARTDEYMGRDE-UHFFFAOYSA-N 2 1 355.479 0.490 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000067614103 488353367 /nfs/dbraw/zinc/35/33/67/488353367.db2.gz ZXQSTUYCMRWYAO-ZWKOTPCHSA-N 2 1 370.538 0.735 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000069383373 488372150 /nfs/dbraw/zinc/37/21/50/488372150.db2.gz XXKGCVPHEWFSTB-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069425799 488372505 /nfs/dbraw/zinc/37/25/05/488372505.db2.gz HFBRSKOACSOSSD-OAHLLOKOSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069425799 488372506 /nfs/dbraw/zinc/37/25/06/488372506.db2.gz HFBRSKOACSOSSD-OAHLLOKOSA-N 2 1 353.511 0.569 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000069505164 488373001 /nfs/dbraw/zinc/37/30/01/488373001.db2.gz LUIBPTGAERNGHP-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](CCO)CC1 ZINC000071832615 488377518 /nfs/dbraw/zinc/37/75/18/488377518.db2.gz HIAWYYOLGUISJN-SFHVURJKSA-N 2 1 374.529 0.766 20 0 FCADMP C[NH+](C)C1(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCCC1 ZINC000073442178 488384565 /nfs/dbraw/zinc/38/45/65/488384565.db2.gz FSZVGBPCZDJASD-KRWDZBQOSA-N 2 1 356.511 0.633 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1=O ZINC000073880573 488386690 /nfs/dbraw/zinc/38/66/90/488386690.db2.gz HXZOOYVSOKCXOG-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C[C@@H](C)O ZINC000182738478 488389061 /nfs/dbraw/zinc/38/90/61/488389061.db2.gz GAVHVFAGECJJLR-WBVHZDCISA-N 2 1 364.490 0.939 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C[C@@H](C)O ZINC000182738457 488389364 /nfs/dbraw/zinc/38/93/64/488389364.db2.gz GAVHVFAGECJJLR-NVXWUHKLSA-N 2 1 364.490 0.939 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345458 488391051 /nfs/dbraw/zinc/39/10/51/488391051.db2.gz YTBNPLBNDVUFOW-IRXDYDNUSA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345458 488391052 /nfs/dbraw/zinc/39/10/52/488391052.db2.gz YTBNPLBNDVUFOW-IRXDYDNUSA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345458 488391054 /nfs/dbraw/zinc/39/10/54/488391054.db2.gz YTBNPLBNDVUFOW-IRXDYDNUSA-N 2 1 367.538 0.947 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000074345935 488391063 /nfs/dbraw/zinc/39/10/63/488391063.db2.gz YYJYYWSCYXOTSL-WMZOPIPTSA-N 2 1 356.511 0.633 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000074345935 488391065 /nfs/dbraw/zinc/39/10/65/488391065.db2.gz YYJYYWSCYXOTSL-WMZOPIPTSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@](O)(CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352083 488391260 /nfs/dbraw/zinc/39/12/60/488391260.db2.gz DMZVCLRBTAJWQJ-QAPCUYQASA-N 2 1 354.495 0.386 20 0 FCADMP C[C@](O)(CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352083 488391263 /nfs/dbraw/zinc/39/12/63/488391263.db2.gz DMZVCLRBTAJWQJ-QAPCUYQASA-N 2 1 354.495 0.386 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000074657068 488393359 /nfs/dbraw/zinc/39/33/59/488393359.db2.gz DCSAWJWIMCASFU-QZTJIDSGSA-N 2 1 369.554 0.622 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000554336217 491195242 /nfs/dbraw/zinc/19/52/42/491195242.db2.gz WRHVPUXEKCHAKT-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000554336217 491195243 /nfs/dbraw/zinc/19/52/43/491195243.db2.gz WRHVPUXEKCHAKT-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000554336217 491195248 /nfs/dbraw/zinc/19/52/48/491195248.db2.gz WRHVPUXEKCHAKT-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000554336217 491195250 /nfs/dbraw/zinc/19/52/50/491195250.db2.gz WRHVPUXEKCHAKT-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000076013713 488400548 /nfs/dbraw/zinc/40/05/48/488400548.db2.gz NRQDSCJZAQIOMY-UHFFFAOYSA-N 2 1 360.506 0.837 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000076013713 488400550 /nfs/dbraw/zinc/40/05/50/488400550.db2.gz NRQDSCJZAQIOMY-UHFFFAOYSA-N 2 1 360.506 0.837 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000077208646 488409499 /nfs/dbraw/zinc/40/94/99/488409499.db2.gz GETGWUIGXZPVPO-HOTGVXAUSA-N 2 1 351.495 0.454 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000189430399 488414659 /nfs/dbraw/zinc/41/46/59/488414659.db2.gz MQGJBHYMDITFBX-HNNXBMFYSA-N 2 1 357.524 0.682 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873406 488434698 /nfs/dbraw/zinc/43/46/98/488434698.db2.gz PKZRLHIGIKEBHA-OAHLLOKOSA-N 2 1 359.478 0.541 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C[NH+](C)C ZINC000085360649 488451216 /nfs/dbraw/zinc/45/12/16/488451216.db2.gz SAWQLVPUFRCQJU-CABCVRRESA-N 2 1 355.527 0.849 20 0 FCADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961963 488459145 /nfs/dbraw/zinc/45/91/45/488459145.db2.gz JTFIICOJERMFCJ-RBUKOAKNSA-N 2 1 360.502 0.376 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000091619697 488466221 /nfs/dbraw/zinc/46/62/21/488466221.db2.gz FKVHMKSQGGSFMJ-MRXNPFEDSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000091619697 488466223 /nfs/dbraw/zinc/46/62/23/488466223.db2.gz FKVHMKSQGGSFMJ-MRXNPFEDSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000246517609 488473548 /nfs/dbraw/zinc/47/35/48/488473548.db2.gz XHGYVCPKNOTWRN-QRQLOZEOSA-N 2 1 370.538 0.879 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256435 488483536 /nfs/dbraw/zinc/48/35/36/488483536.db2.gz SLTVLRKYRSLZOU-RDJZCZTQSA-N 2 1 360.458 0.701 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1=O ZINC000247301807 488484530 /nfs/dbraw/zinc/48/45/30/488484530.db2.gz PDJKOFIUYNEARI-HYVNUMGLSA-N 2 1 350.507 0.905 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272742 488485104 /nfs/dbraw/zinc/48/51/04/488485104.db2.gz UFMWRIKTTNZNAE-CRAIPNDOSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272742 488485105 /nfs/dbraw/zinc/48/51/05/488485105.db2.gz UFMWRIKTTNZNAE-CRAIPNDOSA-N 2 1 363.458 0.773 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000248451358 488496969 /nfs/dbraw/zinc/49/69/69/488496969.db2.gz GAFPJFJLQVTOLF-OALUTQOASA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000248451358 488496970 /nfs/dbraw/zinc/49/69/70/488496970.db2.gz GAFPJFJLQVTOLF-OALUTQOASA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248451358 488496971 /nfs/dbraw/zinc/49/69/71/488496971.db2.gz GAFPJFJLQVTOLF-OALUTQOASA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248451358 488496973 /nfs/dbraw/zinc/49/69/73/488496973.db2.gz GAFPJFJLQVTOLF-OALUTQOASA-N 2 1 361.486 0.980 20 0 FCADMP CC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000102049255 488497128 /nfs/dbraw/zinc/49/71/28/488497128.db2.gz FQTYAQYALYCBKL-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000248636924 488499684 /nfs/dbraw/zinc/49/96/84/488499684.db2.gz QMXGSHDXTWMARW-YESZJQIVSA-N 2 1 368.522 0.584 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H](C)N1CCOCC1 ZINC000249125916 488507024 /nfs/dbraw/zinc/50/70/24/488507024.db2.gz QXSUGCIPVYJBLP-PMPSAXMXSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)[C@H](C)N1CCOCC1 ZINC000249125916 488507025 /nfs/dbraw/zinc/50/70/25/488507025.db2.gz QXSUGCIPVYJBLP-PMPSAXMXSA-N 2 1 356.511 0.582 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000249499219 488510436 /nfs/dbraw/zinc/51/04/36/488510436.db2.gz HZRNCABEHREWEY-QUCCMNQESA-N 2 1 361.486 0.803 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000249499219 488510437 /nfs/dbraw/zinc/51/04/37/488510437.db2.gz HZRNCABEHREWEY-QUCCMNQESA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000249499219 488510440 /nfs/dbraw/zinc/51/04/40/488510440.db2.gz HZRNCABEHREWEY-QUCCMNQESA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249499219 488510442 /nfs/dbraw/zinc/51/04/42/488510442.db2.gz HZRNCABEHREWEY-QUCCMNQESA-N 2 1 361.486 0.803 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000108590427 488520381 /nfs/dbraw/zinc/52/03/81/488520381.db2.gz BQNWJAHUZJCRRQ-MRXNPFEDSA-N 2 1 351.495 0.278 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000111865040 488532105 /nfs/dbraw/zinc/53/21/05/488532105.db2.gz GWXHNUBPDYCQRA-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261843559 488537942 /nfs/dbraw/zinc/53/79/42/488537942.db2.gz LSXATZGWJMAZKO-BBWFWOEESA-N 2 1 350.507 0.966 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261843869 488538224 /nfs/dbraw/zinc/53/82/24/488538224.db2.gz PSYLXRPZWHSTMW-ZBFHGGJFSA-N 2 1 369.307 0.985 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)CC1 ZINC000261871402 488539396 /nfs/dbraw/zinc/53/93/96/488539396.db2.gz TUHHWPGZWPMYGC-SJORKVTESA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261877239 488539500 /nfs/dbraw/zinc/53/95/00/488539500.db2.gz UGHNCRYMEPXGOX-GUYCJALGSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261877239 488539501 /nfs/dbraw/zinc/53/95/01/488539501.db2.gz UGHNCRYMEPXGOX-GUYCJALGSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261885992 488539930 /nfs/dbraw/zinc/53/99/30/488539930.db2.gz PXBCJWDSKQYKJE-NCOADZHNSA-N 2 1 366.506 0.250 20 0 FCADMP [NH3+][C@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261891331 488540473 /nfs/dbraw/zinc/54/04/73/488540473.db2.gz VNPIAMZDAQWZEN-SFHVURJKSA-N 2 1 364.465 0.818 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262003322 488545487 /nfs/dbraw/zinc/54/54/87/488545487.db2.gz DSAMZIKSTCULCX-QZTJIDSGSA-N 2 1 351.539 0.299 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000262062089 488548705 /nfs/dbraw/zinc/54/87/05/488548705.db2.gz AXACHKMNXHJTJV-HZPDHXFCSA-N 2 1 363.506 0.966 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262135261 488552618 /nfs/dbraw/zinc/55/26/18/488552618.db2.gz GUKPJZJRLOIBLB-MRXNPFEDSA-N 2 1 361.490 0.464 20 0 FCADMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262138934 488552896 /nfs/dbraw/zinc/55/28/96/488552896.db2.gz ONKHMPQRYRTCRC-ZDUSSCGKSA-N 2 1 354.476 0.149 20 0 FCADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262138931 488552964 /nfs/dbraw/zinc/55/29/64/488552964.db2.gz ONKHMPQRYRTCRC-CYBMUJFWSA-N 2 1 354.476 0.149 20 0 FCADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262352840 488565527 /nfs/dbraw/zinc/56/55/27/488565527.db2.gz FKUOODCPUMJIFF-CYBMUJFWSA-N 2 1 358.364 0.471 20 0 FCADMP [NH3+]CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000262357410 488566280 /nfs/dbraw/zinc/56/62/80/488566280.db2.gz GDLKQKDONOWJEU-UHFFFAOYSA-N 2 1 372.391 0.815 20 0 FCADMP C[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000262481848 488572912 /nfs/dbraw/zinc/57/29/12/488572912.db2.gz ZPLMAHJGXHCKHB-OAHLLOKOSA-N 2 1 374.485 0.819 20 0 FCADMP C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000122053834 488574510 /nfs/dbraw/zinc/57/45/10/488574510.db2.gz ILKQEOSCERURCD-CRAIPNDOSA-N 2 1 357.458 0.990 20 0 FCADMP C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126340324 488608277 /nfs/dbraw/zinc/60/82/77/488608277.db2.gz BRVWVXNRJJEHAY-MYYSRTQBSA-N 2 1 352.504 0.819 20 0 FCADMP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316277 488616148 /nfs/dbraw/zinc/61/61/48/488616148.db2.gz VCQKKAVBDYZQEO-HOTGVXAUSA-N 2 1 363.506 0.561 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000554616402 491213088 /nfs/dbraw/zinc/21/30/88/491213088.db2.gz GQEJYNSRPJMCCF-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000554616402 491213090 /nfs/dbraw/zinc/21/30/90/491213090.db2.gz GQEJYNSRPJMCCF-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000554616402 491213092 /nfs/dbraw/zinc/21/30/92/491213092.db2.gz GQEJYNSRPJMCCF-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263971918 488639891 /nfs/dbraw/zinc/63/98/91/488639891.db2.gz MRWBOOJIZGOILM-UHFFFAOYSA-N 2 1 364.490 0.814 20 0 FCADMP CCCn1c(N)c(C(=O)CN(C)CCCn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000130782712 488640286 /nfs/dbraw/zinc/64/02/86/488640286.db2.gz ZELAEJAZGQKOLH-UHFFFAOYSA-N 2 1 362.434 0.239 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000273341805 488644943 /nfs/dbraw/zinc/64/49/43/488644943.db2.gz QQGGOWNZSZMQAP-RLLQIKCJSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000273341805 488644945 /nfs/dbraw/zinc/64/49/45/488644945.db2.gz QQGGOWNZSZMQAP-RLLQIKCJSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCSCC1 ZINC000131715739 488648385 /nfs/dbraw/zinc/64/83/85/488648385.db2.gz WAXKIRNNCWAXCC-HUUCEWRRSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCSCC1 ZINC000131715739 488648387 /nfs/dbraw/zinc/64/83/87/488648387.db2.gz WAXKIRNNCWAXCC-HUUCEWRRSA-N 2 1 356.536 0.483 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000264110942 488648539 /nfs/dbraw/zinc/64/85/39/488648539.db2.gz SXFXSMJGOOCYMW-UHFFFAOYSA-N 2 1 364.494 0.777 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136835408 488679299 /nfs/dbraw/zinc/67/92/99/488679299.db2.gz PGJBLPJAFQMJMO-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136835222 488679386 /nfs/dbraw/zinc/67/93/86/488679386.db2.gz PGJBLPJAFQMJMO-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000137183739 488680325 /nfs/dbraw/zinc/68/03/25/488680325.db2.gz OPLJHJJMCUBEHI-OAHLLOKOSA-N 2 1 350.463 0.720 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1cccs1 ZINC000264524611 488682253 /nfs/dbraw/zinc/68/22/53/488682253.db2.gz XCTDNBSRMGBXPT-UONOGXRCSA-N 2 1 367.519 0.990 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1CN1C[C@H](CO)OC[C@@H]1C ZINC000138737509 488683009 /nfs/dbraw/zinc/68/30/09/488683009.db2.gz LDIUMFHVKDXKAK-OBMJPTGESA-N 2 1 364.486 0.850 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccsc1 ZINC000264538436 488683721 /nfs/dbraw/zinc/68/37/21/488683721.db2.gz AHDPHQKKNSAYRW-LSDHHAIUSA-N 2 1 367.519 0.990 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000274542270 488717995 /nfs/dbraw/zinc/71/79/95/488717995.db2.gz CGPDQHJXKJCSAN-KRWDZBQOSA-N 2 1 352.479 0.911 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153227469 488728262 /nfs/dbraw/zinc/72/82/62/488728262.db2.gz QUZCHGIZUNHJKM-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000153227469 488728264 /nfs/dbraw/zinc/72/82/64/488728264.db2.gz QUZCHGIZUNHJKM-SFHVURJKSA-N 2 1 370.538 0.831 20 0 FCADMP CN(C(=O)COCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153429934 488730858 /nfs/dbraw/zinc/73/08/58/488730858.db2.gz PVWUBWPNDUYJEI-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(N2CCNC2=O)CC1)c1ccccc1 ZINC000157688046 488773184 /nfs/dbraw/zinc/77/31/84/488773184.db2.gz CGPBIDNNOKSZBG-GOSISDBHSA-N 2 1 373.501 0.895 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000162462029 488802767 /nfs/dbraw/zinc/80/27/67/488802767.db2.gz VXAWNDDRLIMRCD-MRXNPFEDSA-N 2 1 359.474 0.449 20 0 FCADMP Cc1cc(N2CC[C@@H]([N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173682391 488844543 /nfs/dbraw/zinc/84/45/43/488844543.db2.gz LNGVENHOMPSEAW-NVXWUHKLSA-N 2 1 363.506 0.858 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000176035395 488857103 /nfs/dbraw/zinc/85/71/03/488857103.db2.gz FSCDOSRXCKWESQ-UHFFFAOYSA-N 2 1 362.474 0.834 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000178570152 488860571 /nfs/dbraw/zinc/86/05/71/488860571.db2.gz NOUOTNCADNUURE-HNNXBMFYSA-N 2 1 360.462 0.205 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000178570152 488860572 /nfs/dbraw/zinc/86/05/72/488860572.db2.gz NOUOTNCADNUURE-HNNXBMFYSA-N 2 1 360.462 0.205 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC[N@H+]1C[C@H](C)O ZINC000364738226 488995266 /nfs/dbraw/zinc/99/52/66/488995266.db2.gz UMMJCKHLNIBOCG-YAFCLFEMSA-N 2 1 353.507 0.823 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000554809136 491226949 /nfs/dbraw/zinc/22/69/49/491226949.db2.gz CMNKWFDBNMTTLY-ZMSDIMECSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000554809136 491226954 /nfs/dbraw/zinc/22/69/54/491226954.db2.gz CMNKWFDBNMTTLY-ZMSDIMECSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000554809134 491226977 /nfs/dbraw/zinc/22/69/77/491226977.db2.gz CMNKWFDBNMTTLY-INMHGKMJSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000554809134 491226978 /nfs/dbraw/zinc/22/69/78/491226978.db2.gz CMNKWFDBNMTTLY-INMHGKMJSA-N 2 1 350.507 0.679 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000288681251 489004429 /nfs/dbraw/zinc/00/44/29/489004429.db2.gz CWTPMEYGGUQJNP-UHFFFAOYSA-N 2 1 373.501 0.968 20 0 FCADMP C[C@@H](CC[NH+]1CCN2CCOC[C@@H]2C1)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000563220898 491228361 /nfs/dbraw/zinc/22/83/61/491228361.db2.gz IBWXOMAZYWKCED-OWZKRDHZSA-N 2 1 366.550 0.436 20 0 FCADMP C[C@H](CC[NH+]1CCN2CCOC[C@H]2C1)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000563220898 491228363 /nfs/dbraw/zinc/22/83/63/491228363.db2.gz IBWXOMAZYWKCED-OWZKRDHZSA-N 2 1 366.550 0.436 20 0 FCADMP C[C@H](CC[NH+]1CCN2CCOC[C@H]2C1)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000563220898 491228365 /nfs/dbraw/zinc/22/83/65/491228365.db2.gz IBWXOMAZYWKCED-OWZKRDHZSA-N 2 1 366.550 0.436 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364991740 489027412 /nfs/dbraw/zinc/02/74/12/489027412.db2.gz LMWDIDJWKMQEBQ-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280963622 489043967 /nfs/dbraw/zinc/04/39/67/489043967.db2.gz ZGVHVKFRUCJQLS-APWZRJJASA-N 2 1 358.490 0.495 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183471 489047003 /nfs/dbraw/zinc/04/70/03/489047003.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365183471 489047007 /nfs/dbraw/zinc/04/70/07/489047007.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365183471 489047010 /nfs/dbraw/zinc/04/70/10/489047010.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365183471 489047013 /nfs/dbraw/zinc/04/70/13/489047013.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365183471 489047017 /nfs/dbraw/zinc/04/70/17/489047017.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183469 489047484 /nfs/dbraw/zinc/04/74/84/489047484.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365183469 489047488 /nfs/dbraw/zinc/04/74/88/489047488.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365183469 489047491 /nfs/dbraw/zinc/04/74/91/489047491.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365183469 489047496 /nfs/dbraw/zinc/04/74/96/489047496.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365183469 489047500 /nfs/dbraw/zinc/04/75/00/489047500.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570308801 491232810 /nfs/dbraw/zinc/23/28/10/491232810.db2.gz DFFHKUPSISHTOD-ZIAGYGMSSA-N 2 1 363.437 0.842 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290287348 489128006 /nfs/dbraw/zinc/12/80/06/489128006.db2.gz BHFWFSDEWVWEBV-DLBZAZTESA-N 2 1 373.501 0.967 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290691635 489157981 /nfs/dbraw/zinc/15/79/81/489157981.db2.gz RPHARQJETDLGKY-UHFFFAOYSA-N 2 1 365.522 0.978 20 0 FCADMP CN(CCCN(C)C(=O)c1ccnc(OCC[NH+](C)C)c1)CC[NH+](C)C ZINC000290691635 489157983 /nfs/dbraw/zinc/15/79/83/489157983.db2.gz RPHARQJETDLGKY-UHFFFAOYSA-N 2 1 365.522 0.978 20 0 FCADMP [NH3+][C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000282397329 489160397 /nfs/dbraw/zinc/16/03/97/489160397.db2.gz BTXICWRYIUTBCL-GOSISDBHSA-N 2 1 361.490 0.464 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491148 489188836 /nfs/dbraw/zinc/18/88/36/489188836.db2.gz DOBSQUGECDVMJE-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350841 491238687 /nfs/dbraw/zinc/23/86/87/491238687.db2.gz RJVNTTAXLNVQKY-QGZVFWFLSA-N 2 1 356.555 0.715 20 0 FCADMP CCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350841 491238688 /nfs/dbraw/zinc/23/86/88/491238688.db2.gz RJVNTTAXLNVQKY-QGZVFWFLSA-N 2 1 356.555 0.715 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000283102134 489215608 /nfs/dbraw/zinc/21/56/08/489215608.db2.gz ATIRJDYCESHJEV-UHFFFAOYSA-N 2 1 364.494 0.528 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000283197605 489226215 /nfs/dbraw/zinc/22/62/15/489226215.db2.gz AVHFTEGQPFTAIO-KFWWJZLASA-N 2 1 350.463 0.988 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 ZINC000332779372 489229199 /nfs/dbraw/zinc/22/91/99/489229199.db2.gz QNPSFVDZDZMMGC-LMMKCTJWSA-N 2 1 353.507 0.839 20 0 FCADMP COc1cccc([C@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)[NH+](C)C)c1 ZINC000283378701 489251915 /nfs/dbraw/zinc/25/19/15/489251915.db2.gz IWFZAMVGDWTYEN-KRWDZBQOSA-N 2 1 362.474 0.625 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@H]21 ZINC000297862557 489253163 /nfs/dbraw/zinc/25/31/63/489253163.db2.gz NDVZOJRHJRJTOA-DLBZAZTESA-N 2 1 371.485 0.673 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC000297862561 489253347 /nfs/dbraw/zinc/25/33/47/489253347.db2.gz NDVZOJRHJRJTOA-IRXDYDNUSA-N 2 1 371.485 0.673 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C ZINC000332996830 489254915 /nfs/dbraw/zinc/25/49/15/489254915.db2.gz GWYZAWOMYIVJST-KBAYOESNSA-N 2 1 368.522 0.726 20 0 FCADMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C ZINC000332996830 489254917 /nfs/dbraw/zinc/25/49/17/489254917.db2.gz GWYZAWOMYIVJST-KBAYOESNSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000369738427 489269565 /nfs/dbraw/zinc/26/95/65/489269565.db2.gz XVWYCBDPMJJMLO-NJAFHUGGSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738427 489269567 /nfs/dbraw/zinc/26/95/67/489269567.db2.gz XVWYCBDPMJJMLO-NJAFHUGGSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738427 489269568 /nfs/dbraw/zinc/26/95/68/489269568.db2.gz XVWYCBDPMJJMLO-NJAFHUGGSA-N 2 1 366.506 0.744 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540528 489272909 /nfs/dbraw/zinc/27/29/09/489272909.db2.gz RSIUZZUDNFEEDV-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283540528 489272914 /nfs/dbraw/zinc/27/29/14/489272914.db2.gz RSIUZZUDNFEEDV-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283540528 489272916 /nfs/dbraw/zinc/27/29/16/489272916.db2.gz RSIUZZUDNFEEDV-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369860789 489283417 /nfs/dbraw/zinc/28/34/17/489283417.db2.gz HPWRTSMXFGJVBH-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633699 489284031 /nfs/dbraw/zinc/28/40/31/489284031.db2.gz PDCASKXHWBBMMD-AWEZNQCLSA-N 2 1 359.478 0.851 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1=O ZINC000369911340 489290363 /nfs/dbraw/zinc/29/03/63/489290363.db2.gz KVPJTMFWHOPPBM-OBVSXPTNSA-N 2 1 362.518 0.905 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1=O ZINC000369911350 489290481 /nfs/dbraw/zinc/29/04/81/489290481.db2.gz KVPJTMFWHOPPBM-YYWYGQEZSA-N 2 1 362.518 0.905 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000284879033 489315408 /nfs/dbraw/zinc/31/54/08/489315408.db2.gz GJLWANBNQXFKAO-MRXNPFEDSA-N 2 1 350.438 0.755 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370481594 489365157 /nfs/dbraw/zinc/36/51/57/489365157.db2.gz VJVBHRLNOMAGJQ-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP COC(=O)[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000370527492 489370673 /nfs/dbraw/zinc/37/06/73/489370673.db2.gz JPAAPJHWRUYFRF-KLHDSHLOSA-N 2 1 356.463 0.485 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000370569541 489376440 /nfs/dbraw/zinc/37/64/40/489376440.db2.gz OPBANOYMYJBPEP-YESZJQIVSA-N 2 1 354.495 0.650 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000370569541 489376442 /nfs/dbraw/zinc/37/64/42/489376442.db2.gz OPBANOYMYJBPEP-YESZJQIVSA-N 2 1 354.495 0.650 20 0 FCADMP CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000370682499 489388907 /nfs/dbraw/zinc/38/89/07/489388907.db2.gz OCWKYADUYILZJP-MRXNPFEDSA-N 2 1 370.563 0.826 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@H](C)C1 ZINC000570629358 491254010 /nfs/dbraw/zinc/25/40/10/491254010.db2.gz AJHWMZPACGIWTR-CABCVRRESA-N 2 1 352.483 0.494 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)C1 ZINC000570629359 491254150 /nfs/dbraw/zinc/25/41/50/491254150.db2.gz AJHWMZPACGIWTR-GJZGRUSLSA-N 2 1 352.483 0.494 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286748053 489424737 /nfs/dbraw/zinc/42/47/37/489424737.db2.gz GEBFGHFFERRQKY-UHFFFAOYSA-N 2 1 366.510 0.683 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371030005 489441016 /nfs/dbraw/zinc/44/10/16/489441016.db2.gz ZJXVGQDGCCUAAF-SFHVURJKSA-N 2 1 369.554 0.622 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000363290781 489448626 /nfs/dbraw/zinc/44/86/26/489448626.db2.gz GWXQBQISVADYCV-CVEARBPZSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000363290781 489448629 /nfs/dbraw/zinc/44/86/29/489448629.db2.gz GWXQBQISVADYCV-CVEARBPZSA-N 2 1 351.495 0.417 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000371342877 489478780 /nfs/dbraw/zinc/47/87/80/489478780.db2.gz ZYFOBFOIBFWCDF-SQNIBIBYSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[C@H](C)C1 ZINC000371342877 489478783 /nfs/dbraw/zinc/47/87/83/489478783.db2.gz ZYFOBFOIBFWCDF-SQNIBIBYSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[C@H](C)C1 ZINC000371342877 489478787 /nfs/dbraw/zinc/47/87/87/489478787.db2.gz ZYFOBFOIBFWCDF-SQNIBIBYSA-N 2 1 352.523 0.630 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000563595197 491256905 /nfs/dbraw/zinc/25/69/05/491256905.db2.gz RLHIUVKFDGNLCX-UHFFFAOYSA-N 2 1 359.474 0.254 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000371630551 489491328 /nfs/dbraw/zinc/49/13/28/489491328.db2.gz VDETVQMZIYFCOW-RBUKOAKNSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371630551 489491329 /nfs/dbraw/zinc/49/13/29/489491329.db2.gz VDETVQMZIYFCOW-RBUKOAKNSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371630551 489491330 /nfs/dbraw/zinc/49/13/30/489491330.db2.gz VDETVQMZIYFCOW-RBUKOAKNSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(COC1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423082716 489492326 /nfs/dbraw/zinc/49/23/26/489492326.db2.gz FTPJDWIVXWLVGF-UHFFFAOYSA-N 2 1 367.412 0.868 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423120407 489494908 /nfs/dbraw/zinc/49/49/08/489494908.db2.gz GKRWEQXCFPZREV-RYQLBKOJSA-N 2 1 358.486 0.740 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423158508 489498151 /nfs/dbraw/zinc/49/81/51/489498151.db2.gz CXPUYIYVLFVMFS-ROUUACIJSA-N 2 1 373.501 0.844 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000423187153 489500804 /nfs/dbraw/zinc/50/08/04/489500804.db2.gz LZLYFQOEPAXFAL-RCJHGTSTSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000423187153 489500808 /nfs/dbraw/zinc/50/08/08/489500808.db2.gz LZLYFQOEPAXFAL-RCJHGTSTSA-N 2 1 366.506 0.284 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000423193350 489501495 /nfs/dbraw/zinc/50/14/95/489501495.db2.gz XFMKDPCQGCBLTM-WCXIOVBPSA-N 2 1 366.506 0.155 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423258493 489508310 /nfs/dbraw/zinc/50/83/10/489508310.db2.gz BOQHVJFILDLNNL-QGZVFWFLSA-N 2 1 374.485 0.296 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423258493 489508313 /nfs/dbraw/zinc/50/83/13/489508313.db2.gz BOQHVJFILDLNNL-QGZVFWFLSA-N 2 1 374.485 0.296 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000555615970 491259782 /nfs/dbraw/zinc/25/97/82/491259782.db2.gz VQSMWVNFYPLVIY-INIZCTEOSA-N 2 1 354.495 0.206 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000423292381 489512000 /nfs/dbraw/zinc/51/20/00/489512000.db2.gz MTYILVDDQUOQSU-FQEVSTJZSA-N 2 1 358.486 0.918 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423301090 489512653 /nfs/dbraw/zinc/51/26/53/489512653.db2.gz FLSAUMQOHJRXOJ-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)C1 ZINC000451719335 489519323 /nfs/dbraw/zinc/51/93/23/489519323.db2.gz XEXAGARAQRVGCZ-AKHDSKFASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)C1 ZINC000451719335 489519325 /nfs/dbraw/zinc/51/93/25/489519325.db2.gz XEXAGARAQRVGCZ-AKHDSKFASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)C1 ZINC000451719335 489519327 /nfs/dbraw/zinc/51/93/27/489519327.db2.gz XEXAGARAQRVGCZ-AKHDSKFASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415447501 489521607 /nfs/dbraw/zinc/52/16/07/489521607.db2.gz HOVAXQYVOSDTDC-KRWDZBQOSA-N 2 1 362.474 0.599 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371911511 489524714 /nfs/dbraw/zinc/52/47/14/489524714.db2.gz MTTKHYJMGZNPPL-SQNIBIBYSA-N 2 1 367.538 0.375 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415512014 489526235 /nfs/dbraw/zinc/52/62/35/489526235.db2.gz RWAOWUOATYQLGD-SOUVJXGZSA-N 2 1 362.474 0.945 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415512014 489526239 /nfs/dbraw/zinc/52/62/39/489526239.db2.gz RWAOWUOATYQLGD-SOUVJXGZSA-N 2 1 362.474 0.945 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)C1CC1 ZINC000425875143 489537549 /nfs/dbraw/zinc/53/75/49/489537549.db2.gz DVBQNSRDFLXHPB-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)C1CC1 ZINC000425875143 489537552 /nfs/dbraw/zinc/53/75/52/489537552.db2.gz DVBQNSRDFLXHPB-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425880568 489539572 /nfs/dbraw/zinc/53/95/72/489539572.db2.gz KDMKMRNJVXZMHG-OAHLLOKOSA-N 2 1 356.511 0.402 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425880568 489539574 /nfs/dbraw/zinc/53/95/74/489539574.db2.gz KDMKMRNJVXZMHG-OAHLLOKOSA-N 2 1 356.511 0.402 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415656977 489540048 /nfs/dbraw/zinc/54/00/48/489540048.db2.gz UNEGUSDXAYMTHQ-FUHWJXTLSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115695 489547254 /nfs/dbraw/zinc/54/72/54/489547254.db2.gz IPKHZQHPDITWDR-FUHWJXTLSA-N 2 1 352.523 0.772 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930967 489564756 /nfs/dbraw/zinc/56/47/56/489564756.db2.gz BAABYQFJCWFXAC-CQSZACIVSA-N 2 1 363.462 0.733 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)C ZINC000555661214 491263457 /nfs/dbraw/zinc/26/34/57/491263457.db2.gz TZUNNEALMQNBSO-UHFFFAOYSA-N 2 1 370.538 0.527 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000555700518 491266581 /nfs/dbraw/zinc/26/65/81/491266581.db2.gz NVAQTMDOPGCJFX-KRWDZBQOSA-N 2 1 357.458 0.597 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000555697870 491266739 /nfs/dbraw/zinc/26/67/39/491266739.db2.gz BCLHTYAHOVMSNS-QZTJIDSGSA-N 2 1 360.502 0.876 20 0 FCADMP CC(C)[NH+](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000416808468 489629825 /nfs/dbraw/zinc/62/98/25/489629825.db2.gz PAFBVERNKIKDCL-INIZCTEOSA-N 2 1 353.511 0.711 20 0 FCADMP COC[C@@]1(CNC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000416933704 489634343 /nfs/dbraw/zinc/63/43/43/489634343.db2.gz BMZGOKWRGBIDEM-WMZOPIPTSA-N 2 1 356.511 0.801 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417016392 489638687 /nfs/dbraw/zinc/63/86/87/489638687.db2.gz GCSWZQSIOFUUSZ-BBWFWOEESA-N 2 1 367.538 0.851 20 0 FCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417030094 489639377 /nfs/dbraw/zinc/63/93/77/489639377.db2.gz WDWGRBDDRKZSPF-BWTSREIZSA-N 2 1 357.502 0.711 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417052592 489639782 /nfs/dbraw/zinc/63/97/82/489639782.db2.gz QESBIVMAHKUTBX-GJZGRUSLSA-N 2 1 353.511 0.794 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[nH+]c1 ZINC000417056923 489640094 /nfs/dbraw/zinc/64/00/94/489640094.db2.gz APDSQWHDQGBKAE-OAHLLOKOSA-N 2 1 362.478 0.689 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417050264 489640114 /nfs/dbraw/zinc/64/01/14/489640114.db2.gz JEGNYGRZRALXQD-INIZCTEOSA-N 2 1 353.511 0.794 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417238989 489645383 /nfs/dbraw/zinc/64/53/83/489645383.db2.gz NDLUBJDBLYNGSI-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270343 489646221 /nfs/dbraw/zinc/64/62/21/489646221.db2.gz NPVRSZBWKFOLRS-YJBOKZPZSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270343 489646222 /nfs/dbraw/zinc/64/62/22/489646222.db2.gz NPVRSZBWKFOLRS-YJBOKZPZSA-N 2 1 362.474 0.695 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000457502450 489647196 /nfs/dbraw/zinc/64/71/96/489647196.db2.gz FCFLROXLBLDICY-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000457502450 489647199 /nfs/dbraw/zinc/64/71/99/489647199.db2.gz FCFLROXLBLDICY-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCOCC1 ZINC000457589327 489649680 /nfs/dbraw/zinc/64/96/80/489649680.db2.gz DATPORWRXWKUCA-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCOCC1 ZINC000457589327 489649683 /nfs/dbraw/zinc/64/96/83/489649683.db2.gz DATPORWRXWKUCA-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418871 489651914 /nfs/dbraw/zinc/65/19/14/489651914.db2.gz BZVVFVIMKPMCAR-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000555732380 491269132 /nfs/dbraw/zinc/26/91/32/491269132.db2.gz IKCILRQQMINNQP-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000555732380 491269135 /nfs/dbraw/zinc/26/91/35/491269135.db2.gz IKCILRQQMINNQP-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000555732380 491269138 /nfs/dbraw/zinc/26/91/38/491269138.db2.gz IKCILRQQMINNQP-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417448767 489654780 /nfs/dbraw/zinc/65/47/80/489654780.db2.gz WIIQRVDDTAMMFW-CHWSQXEVSA-N 2 1 353.433 0.852 20 0 FCADMP [NH3+]C[C@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000417643428 489660192 /nfs/dbraw/zinc/66/01/92/489660192.db2.gz CKIYWDIFAGTNJC-SFHVURJKSA-N 2 1 369.554 0.583 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417753360 489664865 /nfs/dbraw/zinc/66/48/65/489664865.db2.gz OLKPJLPTMCDJGY-IRXDYDNUSA-N 2 1 356.511 0.883 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417807665 489666233 /nfs/dbraw/zinc/66/62/33/489666233.db2.gz DJSGAESWTHFZNP-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000373123618 489670413 /nfs/dbraw/zinc/67/04/13/489670413.db2.gz NYTSJQWSRRXPQY-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000373123618 489670415 /nfs/dbraw/zinc/67/04/15/489670415.db2.gz NYTSJQWSRRXPQY-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458230713 489674333 /nfs/dbraw/zinc/67/43/33/489674333.db2.gz GTURAQARYGCZDO-QGZVFWFLSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC[N@H+]1C ZINC000418001083 489674742 /nfs/dbraw/zinc/67/47/42/489674742.db2.gz KHLSDOXAAXMHLU-QBPKDAKJSA-N 2 1 365.522 0.759 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000458242485 489675293 /nfs/dbraw/zinc/67/52/93/489675293.db2.gz RAEFVZOOPYDJGN-SJPCQFCGSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[NH+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458242485 489675295 /nfs/dbraw/zinc/67/52/95/489675295.db2.gz RAEFVZOOPYDJGN-SJPCQFCGSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[NH+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000458242485 489675297 /nfs/dbraw/zinc/67/52/97/489675297.db2.gz RAEFVZOOPYDJGN-SJPCQFCGSA-N 2 1 356.511 0.848 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426993 489682763 /nfs/dbraw/zinc/68/27/63/489682763.db2.gz NQXHOUWODYWLCF-HZPDHXFCSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426993 489682765 /nfs/dbraw/zinc/68/27/65/489682765.db2.gz NQXHOUWODYWLCF-HZPDHXFCSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426993 489682766 /nfs/dbraw/zinc/68/27/66/489682766.db2.gz NQXHOUWODYWLCF-HZPDHXFCSA-N 2 1 353.511 0.698 20 0 FCADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418197685 489684202 /nfs/dbraw/zinc/68/42/02/489684202.db2.gz JXMPQBDMHIDSTD-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418197685 489684206 /nfs/dbraw/zinc/68/42/06/489684206.db2.gz JXMPQBDMHIDSTD-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418377962 489694792 /nfs/dbraw/zinc/69/47/92/489694792.db2.gz BYIGLSUWCLVNSG-UHFFFAOYSA-N 2 1 353.511 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418377962 489694795 /nfs/dbraw/zinc/69/47/95/489694795.db2.gz BYIGLSUWCLVNSG-UHFFFAOYSA-N 2 1 353.511 0.842 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709375 489697408 /nfs/dbraw/zinc/69/74/08/489697408.db2.gz CSLVSFRGSVGOHX-IRXDYDNUSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418478015 489700889 /nfs/dbraw/zinc/70/08/89/489700889.db2.gz WGAZYMCVOFHAGO-BZUAXINKSA-N 2 1 356.511 0.881 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(C)c1C ZINC000489242872 489702566 /nfs/dbraw/zinc/70/25/66/489702566.db2.gz UIBKSGWNHXSECO-HNNXBMFYSA-N 2 1 357.524 0.765 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458822459 489703882 /nfs/dbraw/zinc/70/38/82/489703882.db2.gz ZDDJSSWKNIXHIX-INIZCTEOSA-N 2 1 356.511 0.896 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458822459 489703883 /nfs/dbraw/zinc/70/38/83/489703883.db2.gz ZDDJSSWKNIXHIX-INIZCTEOSA-N 2 1 356.511 0.896 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418562248 489706806 /nfs/dbraw/zinc/70/68/06/489706806.db2.gz QTISSHVYWRPKOO-ZWKOTPCHSA-N 2 1 364.490 0.754 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418570864 489707773 /nfs/dbraw/zinc/70/77/73/489707773.db2.gz RBOPWSXULUOPAN-XCRHUMRWSA-N 2 1 368.428 0.776 20 0 FCADMP CCN1C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000459046554 489715662 /nfs/dbraw/zinc/71/56/62/489715662.db2.gz LZABUOOIROAPBJ-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000563864021 491273606 /nfs/dbraw/zinc/27/36/06/491273606.db2.gz FRFVMSXJDZWAPH-ZACQAIPSSA-N 2 1 358.442 0.804 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000375465351 489717389 /nfs/dbraw/zinc/71/73/89/489717389.db2.gz ICSZCJXIESORQG-AWEZNQCLSA-N 2 1 350.467 0.680 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875258 491274179 /nfs/dbraw/zinc/27/41/79/491274179.db2.gz DWZOAWTWKKEHBD-KGLIPLIRSA-N 2 1 365.444 0.806 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418773809 489725161 /nfs/dbraw/zinc/72/51/61/489725161.db2.gz UTYOKSNXOKIWJP-KRWDZBQOSA-N 2 1 356.511 0.755 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459277768 489725382 /nfs/dbraw/zinc/72/53/82/489725382.db2.gz AYUCNSPURMVFCB-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000459277768 489725386 /nfs/dbraw/zinc/72/53/86/489725386.db2.gz AYUCNSPURMVFCB-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000459277768 489725389 /nfs/dbraw/zinc/72/53/89/489725389.db2.gz AYUCNSPURMVFCB-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459277768 489725391 /nfs/dbraw/zinc/72/53/91/489725391.db2.gz AYUCNSPURMVFCB-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459277768 489725394 /nfs/dbraw/zinc/72/53/94/489725394.db2.gz AYUCNSPURMVFCB-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786734 489727764 /nfs/dbraw/zinc/72/77/64/489727764.db2.gz JFGSEUJJUGETKH-KURKYZTESA-N 2 1 362.474 0.300 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555809731 491274529 /nfs/dbraw/zinc/27/45/29/491274529.db2.gz SMPKDAMKHITCDP-SOUVJXGZSA-N 2 1 356.511 0.447 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555809731 491274531 /nfs/dbraw/zinc/27/45/31/491274531.db2.gz SMPKDAMKHITCDP-SOUVJXGZSA-N 2 1 356.511 0.447 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000563882154 491274749 /nfs/dbraw/zinc/27/47/49/491274749.db2.gz YHJCTECGHJCOBP-HNNXBMFYSA-N 2 1 355.866 0.833 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822104 489739308 /nfs/dbraw/zinc/73/93/08/489739308.db2.gz ACLQPWWRPGBPGK-UHFFFAOYSA-N 2 1 368.522 0.581 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccco1 ZINC000418826052 489741452 /nfs/dbraw/zinc/74/14/52/489741452.db2.gz FPMYOEIWZBPWDW-MRXNPFEDSA-N 2 1 358.442 0.986 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000418830201 489743574 /nfs/dbraw/zinc/74/35/74/489743574.db2.gz FMZXCLSNIMBGSY-UZLBHIALSA-N 2 1 374.485 0.626 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418836955 489748088 /nfs/dbraw/zinc/74/80/88/489748088.db2.gz SFSXJFTYEJIOKJ-MRXNPFEDSA-N 2 1 366.506 0.478 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576763 489748513 /nfs/dbraw/zinc/74/85/13/489748513.db2.gz XOGLKEBPEHFTDP-CHWSQXEVSA-N 2 1 354.476 0.722 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418839728 489750068 /nfs/dbraw/zinc/75/00/68/489750068.db2.gz DMRJSJNWLZZSJH-FGTMMUONSA-N 2 1 356.470 0.445 20 0 FCADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608210 489752244 /nfs/dbraw/zinc/75/22/44/489752244.db2.gz DTBFLYKDOFQQFR-GOEBONIOSA-N 2 1 362.474 0.487 20 0 FCADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430611327 489753295 /nfs/dbraw/zinc/75/32/95/489753295.db2.gz OFEAMPXUJJIJRP-KRWDZBQOSA-N 2 1 362.474 0.236 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000430615285 489753968 /nfs/dbraw/zinc/75/39/68/489753968.db2.gz AZPKDGKJESDVEZ-LJQANCHMSA-N 2 1 372.513 0.879 20 0 FCADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)[C@@H]1C ZINC000376569685 489755544 /nfs/dbraw/zinc/75/55/44/489755544.db2.gz HOVXZGOSZIYZCC-OWSLCNJRSA-N 2 1 353.507 0.960 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000418850039 489755761 /nfs/dbraw/zinc/75/57/61/489755761.db2.gz NLLOLWXKIFRPSG-CABCVRRESA-N 2 1 350.463 0.514 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000418850794 489756878 /nfs/dbraw/zinc/75/68/78/489756878.db2.gz OOIKWKHZIIVJJW-BMFZPTHFSA-N 2 1 362.474 0.658 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000418853181 489757317 /nfs/dbraw/zinc/75/73/17/489757317.db2.gz RTRJWUCKHXVDBD-BMFZPTHFSA-N 2 1 362.474 0.671 20 0 FCADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630979 489758103 /nfs/dbraw/zinc/75/81/03/489758103.db2.gz SJRNXJLCYJOLLA-QGZVFWFLSA-N 2 1 374.485 0.455 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418854946 489758366 /nfs/dbraw/zinc/75/83/66/489758366.db2.gz CJWGTVVGHIWCFU-MRXNPFEDSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633297 489758562 /nfs/dbraw/zinc/75/85/62/489758562.db2.gz ZQSWMUYSYFWUPH-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000418855427 489759661 /nfs/dbraw/zinc/75/96/61/489759661.db2.gz DHCQIIKSGONBEP-HOTGVXAUSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640876 489760581 /nfs/dbraw/zinc/76/05/81/489760581.db2.gz LFNQHUFXSYEMAC-IEBWSBKVSA-N 2 1 372.513 0.878 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645618 489761870 /nfs/dbraw/zinc/76/18/70/489761870.db2.gz VDZPYCDLHMDHBY-RYUDHWBXSA-N 2 1 353.854 0.849 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645618 489761871 /nfs/dbraw/zinc/76/18/71/489761871.db2.gz VDZPYCDLHMDHBY-RYUDHWBXSA-N 2 1 353.854 0.849 20 0 FCADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645622 489762439 /nfs/dbraw/zinc/76/24/39/489762439.db2.gz VDZPYCDLHMDHBY-VXGBXAGGSA-N 2 1 353.854 0.849 20 0 FCADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645622 489762444 /nfs/dbraw/zinc/76/24/44/489762444.db2.gz VDZPYCDLHMDHBY-VXGBXAGGSA-N 2 1 353.854 0.849 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000430656408 489762921 /nfs/dbraw/zinc/76/29/21/489762921.db2.gz UAWRTXPEMCZWEG-NSHDSACASA-N 2 1 358.895 0.805 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000430656408 489762925 /nfs/dbraw/zinc/76/29/25/489762925.db2.gz UAWRTXPEMCZWEG-NSHDSACASA-N 2 1 358.895 0.805 20 0 FCADMP O=C([C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662783 489762935 /nfs/dbraw/zinc/76/29/35/489762935.db2.gz JACVHHQIILJHGA-AEFFLSMTSA-N 2 1 356.470 0.936 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C)C[NH2+]1 ZINC000418862563 489764125 /nfs/dbraw/zinc/76/41/25/489764125.db2.gz ANOWVTSRKRVVQW-RVKKMQEKSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376630014 489764116 /nfs/dbraw/zinc/76/41/16/489764116.db2.gz UUFNCXLUWHLNGT-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000418871084 489767946 /nfs/dbraw/zinc/76/79/46/489767946.db2.gz ZLHRPUUOXZOWMF-PXNSSMCTSA-N 2 1 358.486 0.883 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418871276 489768223 /nfs/dbraw/zinc/76/82/23/489768223.db2.gz VEQWAZLLLBEMKU-CABCVRRESA-N 2 1 354.495 0.189 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418876556 489771088 /nfs/dbraw/zinc/77/10/88/489771088.db2.gz GOYBJRSXJQDDHM-FZMZJTMJSA-N 2 1 356.829 0.663 20 0 FCADMP COCC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878371 489774817 /nfs/dbraw/zinc/77/48/17/489774817.db2.gz NWBVKOQNPRSUAC-MAUKXSAKSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430930317 489778068 /nfs/dbraw/zinc/77/80/68/489778068.db2.gz SHCHHWOANWWICV-LBPRGKRZSA-N 2 1 354.476 0.592 20 0 FCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000474810056 489787734 /nfs/dbraw/zinc/78/77/34/489787734.db2.gz NQNNFNJOCRAJOC-GJZGRUSLSA-N 2 1 360.502 0.863 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418916594 489790007 /nfs/dbraw/zinc/79/00/07/489790007.db2.gz HFMMOPVFSQGJOE-IRXDYDNUSA-N 2 1 368.522 0.483 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000459913553 489790285 /nfs/dbraw/zinc/79/02/85/489790285.db2.gz CSPXFCYOYXQZFH-QGZVFWFLSA-N 2 1 373.501 0.981 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418916603 489790432 /nfs/dbraw/zinc/79/04/32/489790432.db2.gz HFMMOPVFSQGJOE-SJORKVTESA-N 2 1 368.522 0.483 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000418917854 489791234 /nfs/dbraw/zinc/79/12/34/489791234.db2.gz IJPJXHOJWHNEAV-JKSUJKDBSA-N 2 1 354.495 0.047 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000459915997 489791378 /nfs/dbraw/zinc/79/13/78/489791378.db2.gz CJKJXJRIEIGXCD-UHFFFAOYSA-N 2 1 368.522 0.357 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000459915997 489791384 /nfs/dbraw/zinc/79/13/84/489791384.db2.gz CJKJXJRIEIGXCD-UHFFFAOYSA-N 2 1 368.522 0.357 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000418919694 489792510 /nfs/dbraw/zinc/79/25/10/489792510.db2.gz KHCBHMVEUZDIDA-HOTGVXAUSA-N 2 1 368.522 0.354 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000418930480 489793978 /nfs/dbraw/zinc/79/39/78/489793978.db2.gz XXEZHWNSFGURBH-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000459924224 489794958 /nfs/dbraw/zinc/79/49/58/489794958.db2.gz VKTSORXAAWOGPC-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000459924224 489794962 /nfs/dbraw/zinc/79/49/62/489794962.db2.gz VKTSORXAAWOGPC-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC[NH+]1CCOC ZINC000459924224 489794964 /nfs/dbraw/zinc/79/49/64/489794964.db2.gz VKTSORXAAWOGPC-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC[NH+]1CCOC ZINC000459924224 489794967 /nfs/dbraw/zinc/79/49/67/489794967.db2.gz VKTSORXAAWOGPC-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000459928178 489797834 /nfs/dbraw/zinc/79/78/34/489797834.db2.gz BOGYCVWDFACNCY-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000459928178 489797836 /nfs/dbraw/zinc/79/78/36/489797836.db2.gz BOGYCVWDFACNCY-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431286817 489798930 /nfs/dbraw/zinc/79/89/30/489798930.db2.gz ZYIYFDSSPSTSCS-HNNXBMFYSA-N 2 1 351.495 0.515 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000555885440 491279526 /nfs/dbraw/zinc/27/95/26/491279526.db2.gz GEHVMMZGJSCVJE-GASCZTMLSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 ZINC000475146764 489807920 /nfs/dbraw/zinc/80/79/20/489807920.db2.gz YLIGXULZDQXXBX-OAHLLOKOSA-N 2 1 373.457 0.080 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418988003 489811224 /nfs/dbraw/zinc/81/12/24/489811224.db2.gz RAWLNEUTCNWOFI-WBVHZDCISA-N 2 1 350.507 0.825 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000459995121 489811707 /nfs/dbraw/zinc/81/17/07/489811707.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000459995121 489811713 /nfs/dbraw/zinc/81/17/13/489811713.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000459995121 489811718 /nfs/dbraw/zinc/81/17/18/489811718.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000459995121 489811721 /nfs/dbraw/zinc/81/17/21/489811721.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 2 1 367.538 0.023 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000459995121 489811725 /nfs/dbraw/zinc/81/17/25/489811725.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 2 1 367.538 0.023 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459994379 489812222 /nfs/dbraw/zinc/81/22/22/489812222.db2.gz VEYYBZUDESOZAU-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459994379 489812224 /nfs/dbraw/zinc/81/22/24/489812224.db2.gz VEYYBZUDESOZAU-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459997724 489812730 /nfs/dbraw/zinc/81/27/30/489812730.db2.gz TYBAVOJXWTXQLF-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000431663302 489815113 /nfs/dbraw/zinc/81/51/13/489815113.db2.gz SZGTYWKMVJLGSW-ZWKOTPCHSA-N 2 1 371.489 0.890 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419015876 489818699 /nfs/dbraw/zinc/81/86/99/489818699.db2.gz FJJIJAMQNXWAPM-ROUUACIJSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017986 489819399 /nfs/dbraw/zinc/81/93/99/489819399.db2.gz BHSZMFPBYBNCPS-XHSDSOJGSA-N 2 1 350.507 0.895 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419017549 489819765 /nfs/dbraw/zinc/81/97/65/489819765.db2.gz BBMYDKFNDRZDGM-KLHDSHLOSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419020435 489820733 /nfs/dbraw/zinc/82/07/33/489820733.db2.gz FTZPYEFDYBSUBD-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033141 489826380 /nfs/dbraw/zinc/82/63/80/489826380.db2.gz XVBHSRQTLUWIKS-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC000419035982 489828417 /nfs/dbraw/zinc/82/84/17/489828417.db2.gz FWIDTGMRYJQPTB-QAETUUGQSA-N 2 1 368.522 0.435 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000419040145 489830429 /nfs/dbraw/zinc/83/04/29/489830429.db2.gz MDHSTXUGNMSKEK-XHSDSOJGSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049112 489835025 /nfs/dbraw/zinc/83/50/25/489835025.db2.gz WWRMSDXQDMUFCZ-JSGCOSHPSA-N 2 1 354.401 0.648 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049112 489835030 /nfs/dbraw/zinc/83/50/30/489835030.db2.gz WWRMSDXQDMUFCZ-JSGCOSHPSA-N 2 1 354.401 0.648 20 0 FCADMP CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419057397 489838338 /nfs/dbraw/zinc/83/83/38/489838338.db2.gz AAOBORVIJZGNJV-XHSDSOJGSA-N 2 1 368.522 0.591 20 0 FCADMP CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419057397 489838340 /nfs/dbraw/zinc/83/83/40/489838340.db2.gz AAOBORVIJZGNJV-XHSDSOJGSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000460061862 489839138 /nfs/dbraw/zinc/83/91/38/489839138.db2.gz MURZPVZRTATLIK-OAHLLOKOSA-N 2 1 350.507 0.729 20 0 FCADMP [NH3+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419076114 489847282 /nfs/dbraw/zinc/84/72/82/489847282.db2.gz PGYWGNCUGVKLFQ-UHFFFAOYSA-N 2 1 367.881 0.043 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000460084552 489848628 /nfs/dbraw/zinc/84/86/28/489848628.db2.gz VETTTXNSPXFJJF-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419082616 489849684 /nfs/dbraw/zinc/84/96/84/489849684.db2.gz JNRFSTKVJKBIQK-CAOSSQGBSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419082616 489849687 /nfs/dbraw/zinc/84/96/87/489849687.db2.gz JNRFSTKVJKBIQK-CAOSSQGBSA-N 2 1 368.522 0.434 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419085778 489850072 /nfs/dbraw/zinc/85/00/72/489850072.db2.gz MUUNKCJTVCJXIU-GASCZTMLSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419085778 489850077 /nfs/dbraw/zinc/85/00/77/489850077.db2.gz MUUNKCJTVCJXIU-GASCZTMLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000419091218 489852121 /nfs/dbraw/zinc/85/21/21/489852121.db2.gz VYIZWPUEYFQORM-LZWOXQAQSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000419089962 489852283 /nfs/dbraw/zinc/85/22/83/489852283.db2.gz URUABXLMOYJUSG-RBSFLKMASA-N 2 1 354.495 0.106 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419094014 489853307 /nfs/dbraw/zinc/85/33/07/489853307.db2.gz ZARPNUWCEZQQRD-XHSDSOJGSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419094014 489853313 /nfs/dbraw/zinc/85/33/13/489853313.db2.gz ZARPNUWCEZQQRD-XHSDSOJGSA-N 2 1 368.522 0.448 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419099110 489855142 /nfs/dbraw/zinc/85/51/42/489855142.db2.gz DKCWFLXGPCIBDE-IAGOWNOFSA-N 2 1 358.486 0.963 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000419109059 489857989 /nfs/dbraw/zinc/85/79/89/489857989.db2.gz AIQMGIVRQAOEHG-IKGGRYGDSA-N 2 1 366.506 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000460265760 489860730 /nfs/dbraw/zinc/86/07/30/489860730.db2.gz ZEMCFGBMSIVQEB-BQFCYCMXSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000460265760 489860734 /nfs/dbraw/zinc/86/07/34/489860734.db2.gz ZEMCFGBMSIVQEB-BQFCYCMXSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000460265760 489860738 /nfs/dbraw/zinc/86/07/38/489860738.db2.gz ZEMCFGBMSIVQEB-BQFCYCMXSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120154 489866699 /nfs/dbraw/zinc/86/66/99/489866699.db2.gz XXGVYPZJVXMAME-MRXNPFEDSA-N 3 1 352.523 0.901 20 0 FCADMP C[C@@H]1CN(C2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120154 489866702 /nfs/dbraw/zinc/86/67/02/489866702.db2.gz XXGVYPZJVXMAME-MRXNPFEDSA-N 2 1 352.523 0.901 20 0 FCADMP CN1CCN(c2cc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)ccn2)CC1 ZINC000433157557 489868517 /nfs/dbraw/zinc/86/85/17/489868517.db2.gz GPCKDGRNFAAIML-UHFFFAOYSA-N 2 1 374.533 0.653 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150823 489869130 /nfs/dbraw/zinc/86/91/30/489869130.db2.gz GZOUAKQNQHTTHT-QGZVFWFLSA-N 3 1 367.538 0.249 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150822 489869186 /nfs/dbraw/zinc/86/91/86/489869186.db2.gz GZOUAKQNQHTTHT-KRWDZBQOSA-N 3 1 367.538 0.249 20 0 FCADMP CC(C)C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000494130790 489870950 /nfs/dbraw/zinc/87/09/50/489870950.db2.gz MODKJJGPTZHMSE-QGZVFWFLSA-N 2 1 363.506 0.825 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419979677 489872018 /nfs/dbraw/zinc/87/20/18/489872018.db2.gz PUSDPSNLGRKQRX-OWCLPIDISA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019201 489882323 /nfs/dbraw/zinc/88/23/23/489882323.db2.gz ZXDAUMISLZTCQQ-HYVNUMGLSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020277 489883354 /nfs/dbraw/zinc/88/33/54/489883354.db2.gz FBRGOAMOFKOWJA-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000420021870 489883405 /nfs/dbraw/zinc/88/34/05/489883405.db2.gz UPGSAIRCYBMDID-JXFKEZNVSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420023336 489884400 /nfs/dbraw/zinc/88/44/00/489884400.db2.gz APYFMTBDZPXELU-KFWWJZLASA-N 2 1 354.495 0.310 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420026216 489885241 /nfs/dbraw/zinc/88/52/41/489885241.db2.gz ZXDAUMISLZTCQQ-UAGQMJEPSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000433460836 489886458 /nfs/dbraw/zinc/88/64/58/489886458.db2.gz RUPGORKCJQKMCR-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000433460836 489886461 /nfs/dbraw/zinc/88/64/61/489886461.db2.gz RUPGORKCJQKMCR-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000433460836 489886464 /nfs/dbraw/zinc/88/64/64/489886464.db2.gz RUPGORKCJQKMCR-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420042801 489891014 /nfs/dbraw/zinc/89/10/14/489891014.db2.gz QZQFSAPUMSFPAT-QGZVFWFLSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420042801 489891015 /nfs/dbraw/zinc/89/10/15/489891015.db2.gz QZQFSAPUMSFPAT-QGZVFWFLSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420066644 489901346 /nfs/dbraw/zinc/90/13/46/489901346.db2.gz RPHQKGBOESPDND-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420079274 489904284 /nfs/dbraw/zinc/90/42/84/489904284.db2.gz HFSCBRMTVFQOPG-OWCLPIDISA-N 2 1 368.522 0.720 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420079274 489904290 /nfs/dbraw/zinc/90/42/90/489904290.db2.gz HFSCBRMTVFQOPG-OWCLPIDISA-N 2 1 368.522 0.720 20 0 FCADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@]1(CO)CCOC1 ZINC000461363040 489906158 /nfs/dbraw/zinc/90/61/58/489906158.db2.gz RVCFQSCOHVRYMU-FQEVSTJZSA-N 2 1 361.486 0.982 20 0 FCADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@]1(CO)CCOC1 ZINC000461363040 489906163 /nfs/dbraw/zinc/90/61/63/489906163.db2.gz RVCFQSCOHVRYMU-FQEVSTJZSA-N 2 1 361.486 0.982 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCC1 ZINC000420087808 489906979 /nfs/dbraw/zinc/90/69/79/489906979.db2.gz GPUWZIPFFGWNBF-UHFFFAOYSA-N 2 1 350.488 0.432 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000420095275 489910145 /nfs/dbraw/zinc/91/01/45/489910145.db2.gz FMHQLQMQHHFDFB-GASCZTMLSA-N 2 1 374.485 0.522 20 0 FCADMP CN(CCC[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377528479 489915365 /nfs/dbraw/zinc/91/53/65/489915365.db2.gz REWFIBCPPZQLGB-KRWDZBQOSA-N 2 1 350.511 0.731 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000420123553 489920719 /nfs/dbraw/zinc/92/07/19/489920719.db2.gz OUBLTYUCODRACX-LJQANCHMSA-N 2 1 359.474 0.545 20 0 FCADMP C[C@](O)(CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352237 489923841 /nfs/dbraw/zinc/92/38/41/489923841.db2.gz FUVZWWJSANBWRR-WMZOPIPTSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@](O)(CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352237 489923845 /nfs/dbraw/zinc/92/38/45/489923845.db2.gz FUVZWWJSANBWRR-WMZOPIPTSA-N 2 1 354.495 0.386 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576193 489924245 /nfs/dbraw/zinc/92/42/45/489924245.db2.gz AIMIIUIIRBVILA-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000420133642 489924688 /nfs/dbraw/zinc/92/46/88/489924688.db2.gz ZESMVUPNYGFNDI-LSDHHAIUSA-N 2 1 354.495 0.332 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377588079 489927214 /nfs/dbraw/zinc/92/72/14/489927214.db2.gz NQJIODXSZUCZDG-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377588079 489927218 /nfs/dbraw/zinc/92/72/18/489927218.db2.gz NQJIODXSZUCZDG-PMACEKPBSA-N 2 1 372.513 0.784 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000420141829 489928686 /nfs/dbraw/zinc/92/86/86/489928686.db2.gz ZORRNDGOLHVASW-GJZGRUSLSA-N 2 1 364.515 0.692 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000495315053 489934574 /nfs/dbraw/zinc/93/45/74/489934574.db2.gz SPXJETVUFKZGMF-DOTOQJQBSA-N 2 1 366.506 0.333 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000477067975 489938674 /nfs/dbraw/zinc/93/86/74/489938674.db2.gz PJGHVZCBRUCCQJ-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000477067976 489938783 /nfs/dbraw/zinc/93/87/83/489938783.db2.gz PJGHVZCBRUCCQJ-JKSUJKDBSA-N 2 1 356.511 0.450 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169707 491290144 /nfs/dbraw/zinc/29/01/44/491290144.db2.gz YAVXQTCOODHJPB-IXDOHACOSA-N 2 1 363.506 0.608 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420194135 489947586 /nfs/dbraw/zinc/94/75/86/489947586.db2.gz DOFBJOLTVLRFFL-ZQVUSRCWSA-N 2 1 362.518 0.809 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000462010581 489950232 /nfs/dbraw/zinc/95/02/32/489950232.db2.gz NZYGWMMYMNFMOJ-HOTGVXAUSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000462010581 489950235 /nfs/dbraw/zinc/95/02/35/489950235.db2.gz NZYGWMMYMNFMOJ-HOTGVXAUSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000462010581 489950238 /nfs/dbraw/zinc/95/02/38/489950238.db2.gz NZYGWMMYMNFMOJ-HOTGVXAUSA-N 2 1 353.511 0.663 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420201436 489950444 /nfs/dbraw/zinc/95/04/44/489950444.db2.gz OQMCHBWPUVSMHB-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420201436 489950447 /nfs/dbraw/zinc/95/04/47/489950447.db2.gz OQMCHBWPUVSMHB-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1NC[C@@H]1C[NH2+]CCN1C)OCO3 ZINC000420275262 489959078 /nfs/dbraw/zinc/95/90/78/489959078.db2.gz OCFSQHHOOYNUTP-LBPRGKRZSA-N 2 1 372.425 0.878 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(=O)[nH]c1=O ZINC000420318507 489962902 /nfs/dbraw/zinc/96/29/02/489962902.db2.gz PYVTWVKOGVUUNI-CYBMUJFWSA-N 2 1 363.462 0.445 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329218 489963687 /nfs/dbraw/zinc/96/36/87/489963687.db2.gz OCANHMFSNHPMRG-KGLIPLIRSA-N 2 1 363.462 0.857 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000420328110 489963716 /nfs/dbraw/zinc/96/37/16/489963716.db2.gz HMCDIRHUPZHDGQ-HLIPFELVSA-N 2 1 359.470 0.935 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325306 489963865 /nfs/dbraw/zinc/96/38/65/489963865.db2.gz BMTZXOHWMHQZGZ-HDICACEKSA-N 2 1 358.486 0.822 20 0 FCADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000420341735 489964810 /nfs/dbraw/zinc/96/48/10/489964810.db2.gz QCSOUMVUXZEUER-BETUJISGSA-N 2 1 359.409 0.671 20 0 FCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348670 489965760 /nfs/dbraw/zinc/96/57/60/489965760.db2.gz MKPNLCQEUKQPMI-HUUCEWRRSA-N 2 1 366.456 0.992 20 0 FCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348670 489965762 /nfs/dbraw/zinc/96/57/62/489965762.db2.gz MKPNLCQEUKQPMI-HUUCEWRRSA-N 2 1 366.456 0.992 20 0 FCADMP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350533 489966599 /nfs/dbraw/zinc/96/65/99/489966599.db2.gz TUPXIUSSEQOLOB-SFHVURJKSA-N 2 1 374.485 0.562 20 0 FCADMP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350533 489966602 /nfs/dbraw/zinc/96/66/02/489966602.db2.gz TUPXIUSSEQOLOB-SFHVURJKSA-N 2 1 374.485 0.562 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420365808 489968666 /nfs/dbraw/zinc/96/86/66/489968666.db2.gz LQUYRVVRVIEAPK-HSMVNMDESA-N 2 1 354.476 0.639 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420380427 489969341 /nfs/dbraw/zinc/96/93/41/489969341.db2.gz OCUWLXOAMMHFNV-YJBOKZPZSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420386549 489970623 /nfs/dbraw/zinc/97/06/23/489970623.db2.gz UZNIAVLXJVFCRA-BZUAXINKSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420386549 489970625 /nfs/dbraw/zinc/97/06/25/489970625.db2.gz UZNIAVLXJVFCRA-BZUAXINKSA-N 2 1 362.474 0.869 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462405081 489973961 /nfs/dbraw/zinc/97/39/61/489973961.db2.gz ADPXJZRNRWNWTF-INIZCTEOSA-N 2 1 352.460 0.348 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477615628 489977171 /nfs/dbraw/zinc/97/71/71/489977171.db2.gz MGSYMNGTUXZSSM-DOTOQJQBSA-N 2 1 368.522 0.545 20 0 FCADMP COCCN(C)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420466147 489982298 /nfs/dbraw/zinc/98/22/98/489982298.db2.gz ABOHZQIJFPVFDI-UHFFFAOYSA-N 2 1 370.519 0.393 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000556083855 491293391 /nfs/dbraw/zinc/29/33/91/491293391.db2.gz GGDOITYVCNQBCB-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377986327 489992315 /nfs/dbraw/zinc/99/23/15/489992315.db2.gz ADFITPJOLWSISK-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377986327 489992317 /nfs/dbraw/zinc/99/23/17/489992317.db2.gz ADFITPJOLWSISK-ZWKOTPCHSA-N 2 1 367.538 0.376 20 0 FCADMP COc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420630948 490003124 /nfs/dbraw/zinc/00/31/24/490003124.db2.gz FVXQEPZFEAABFE-HUUCEWRRSA-N 2 1 363.510 0.941 20 0 FCADMP CC[C@@H](CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC ZINC000420659876 490005479 /nfs/dbraw/zinc/00/54/79/490005479.db2.gz FLEUQIRLPKKJRQ-KRWDZBQOSA-N 2 1 370.519 0.938 20 0 FCADMP C[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000436487952 490006805 /nfs/dbraw/zinc/00/68/05/490006805.db2.gz MAYGIHYQICQDAS-HNNXBMFYSA-N 2 1 351.499 0.450 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000420775324 490022076 /nfs/dbraw/zinc/02/20/76/490022076.db2.gz ZPIGOFBUBUQSCL-YMAMQOFZSA-N 2 1 350.463 0.988 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420801336 490022912 /nfs/dbraw/zinc/02/29/12/490022912.db2.gz KHHDBSMAQMNVLP-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420906015 490030583 /nfs/dbraw/zinc/03/05/83/490030583.db2.gz RKVUYKVGUWISCY-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000420906015 490030587 /nfs/dbraw/zinc/03/05/87/490030587.db2.gz RKVUYKVGUWISCY-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000420906015 490030592 /nfs/dbraw/zinc/03/05/92/490030592.db2.gz RKVUYKVGUWISCY-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973305 490034985 /nfs/dbraw/zinc/03/49/85/490034985.db2.gz YUWQNSPDXAHITC-CABCVRRESA-N 2 1 351.499 0.934 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378320990 490049200 /nfs/dbraw/zinc/04/92/00/490049200.db2.gz WANHQCFUNIIANJ-FQEVSTJZSA-N 2 1 371.529 0.657 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378320990 490049204 /nfs/dbraw/zinc/04/92/04/490049204.db2.gz WANHQCFUNIIANJ-FQEVSTJZSA-N 2 1 371.529 0.657 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000478952941 490055852 /nfs/dbraw/zinc/05/58/52/490055852.db2.gz LDRGEDCLTIYQJY-RDJZCZTQSA-N 2 1 350.507 0.777 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1C ZINC000443054840 490065109 /nfs/dbraw/zinc/06/51/09/490065109.db2.gz ALFXWQBJGBCPFD-CQSZACIVSA-N 2 1 368.503 0.902 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057656 490065764 /nfs/dbraw/zinc/06/57/64/490065764.db2.gz HOGDFECTHQADEB-STQMWFEESA-N 2 1 354.476 0.722 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479201606 490072959 /nfs/dbraw/zinc/07/29/59/490072959.db2.gz ISCWKVCHMTVVPL-IRXDYDNUSA-N 2 1 364.465 0.927 20 0 FCADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CC(=O)N(CCOC)C2=O)CC1 ZINC000465039518 490076032 /nfs/dbraw/zinc/07/60/32/490076032.db2.gz UPISRRWSSFEVSB-MRXNPFEDSA-N 2 1 355.479 0.583 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000506321224 490081145 /nfs/dbraw/zinc/08/11/45/490081145.db2.gz KOPPIHSNKGYSIQ-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000506321224 490081150 /nfs/dbraw/zinc/08/11/50/490081150.db2.gz KOPPIHSNKGYSIQ-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP O[C@H](COc1ccccc1F)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378545592 490086333 /nfs/dbraw/zinc/08/63/33/490086333.db2.gz UTOVXDXSBWDJRZ-INIZCTEOSA-N 2 1 368.449 0.725 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815857 490089028 /nfs/dbraw/zinc/08/90/28/490089028.db2.gz YMWMXRBUPFWSED-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC000520204984 490117035 /nfs/dbraw/zinc/11/70/35/490117035.db2.gz VXAGCHCZXSMPSX-YVSFHVDLSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC000520204984 490117038 /nfs/dbraw/zinc/11/70/38/490117038.db2.gz VXAGCHCZXSMPSX-YVSFHVDLSA-N 2 1 353.511 0.173 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000556174407 491300709 /nfs/dbraw/zinc/30/07/09/491300709.db2.gz KWOOOLDALSSJFU-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000556174407 491300710 /nfs/dbraw/zinc/30/07/10/491300710.db2.gz KWOOOLDALSSJFU-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000556174407 491300712 /nfs/dbraw/zinc/30/07/12/491300712.db2.gz KWOOOLDALSSJFU-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477572 490123721 /nfs/dbraw/zinc/12/37/21/490123721.db2.gz OVDHCNPHQVPREB-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000479829409 490127045 /nfs/dbraw/zinc/12/70/45/490127045.db2.gz OTBDOKQWJDAGQE-QKPAOTATSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479829409 490127054 /nfs/dbraw/zinc/12/70/54/490127054.db2.gz OTBDOKQWJDAGQE-QKPAOTATSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000479829409 490127059 /nfs/dbraw/zinc/12/70/59/490127059.db2.gz OTBDOKQWJDAGQE-QKPAOTATSA-N 2 1 362.518 0.964 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCCCS(C)(=O)=O)cn2)CC1 ZINC000479889481 490134961 /nfs/dbraw/zinc/13/49/61/490134961.db2.gz SHDCGPCWWXVMFL-UHFFFAOYSA-N 2 1 355.508 0.533 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000520384988 490140605 /nfs/dbraw/zinc/14/06/05/490140605.db2.gz JBWGBEPXONGNNF-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP COC[C@]1(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000520400870 490141887 /nfs/dbraw/zinc/14/18/87/490141887.db2.gz XJCDCOIBRRAZRT-YJBOKZPZSA-N 2 1 366.531 0.779 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839719 490147476 /nfs/dbraw/zinc/14/74/76/490147476.db2.gz JJUXCQDMSIHEGR-PMPSAXMXSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839719 490147481 /nfs/dbraw/zinc/14/74/81/490147481.db2.gz JJUXCQDMSIHEGR-PMPSAXMXSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839719 490147486 /nfs/dbraw/zinc/14/74/86/490147486.db2.gz JJUXCQDMSIHEGR-PMPSAXMXSA-N 2 1 353.511 0.711 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000564350910 491302738 /nfs/dbraw/zinc/30/27/38/491302738.db2.gz UPELDLDCGMHODV-IVSAIRAKSA-N 2 1 374.489 0.840 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000465863637 490149474 /nfs/dbraw/zinc/14/94/74/490149474.db2.gz HAPWUGVFEMKQHH-ZBFHGGJFSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000465869997 490149970 /nfs/dbraw/zinc/14/99/70/490149970.db2.gz HVEXOOUSWKEKKH-ROUUACIJSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000465869997 490149975 /nfs/dbraw/zinc/14/99/75/490149975.db2.gz HVEXOOUSWKEKKH-ROUUACIJSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000465869997 490149978 /nfs/dbraw/zinc/14/99/78/490149978.db2.gz HVEXOOUSWKEKKH-ROUUACIJSA-N 3 1 368.570 0.290 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000465869997 490149983 /nfs/dbraw/zinc/14/99/83/490149983.db2.gz HVEXOOUSWKEKKH-ROUUACIJSA-N 2 1 368.570 0.290 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000465869997 490149990 /nfs/dbraw/zinc/14/99/90/490149990.db2.gz HVEXOOUSWKEKKH-ROUUACIJSA-N 2 1 368.570 0.290 20 0 FCADMP CCC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000465930269 490152680 /nfs/dbraw/zinc/15/26/80/490152680.db2.gz MOFLWURTACUYNU-UHFFFAOYSA-N 2 1 369.554 0.550 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556206800 491303098 /nfs/dbraw/zinc/30/30/98/491303098.db2.gz NXILGLPPOASTRR-QAPCUYQASA-N 2 1 370.563 0.634 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947280 490155399 /nfs/dbraw/zinc/15/53/99/490155399.db2.gz GOAXCXGRZZLJBO-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947280 490155406 /nfs/dbraw/zinc/15/54/06/490155406.db2.gz GOAXCXGRZZLJBO-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947280 490155414 /nfs/dbraw/zinc/15/54/14/490155414.db2.gz GOAXCXGRZZLJBO-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000506937887 490156751 /nfs/dbraw/zinc/15/67/51/490156751.db2.gz BBKSFZPTUFKHLU-MRXNPFEDSA-N 2 1 356.511 0.753 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012267 490167715 /nfs/dbraw/zinc/16/77/15/490167715.db2.gz UDVWRPDELLQQBF-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000422126705 490178594 /nfs/dbraw/zinc/17/85/94/490178594.db2.gz XAJNSMJGACKGCZ-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCOC ZINC000422129848 490181337 /nfs/dbraw/zinc/18/13/37/490181337.db2.gz ZZRSEQAAHAFMMD-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000422129848 490181338 /nfs/dbraw/zinc/18/13/38/490181338.db2.gz ZZRSEQAAHAFMMD-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000422129848 490181342 /nfs/dbraw/zinc/18/13/42/490181342.db2.gz ZZRSEQAAHAFMMD-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000422129848 490181347 /nfs/dbraw/zinc/18/13/47/490181347.db2.gz ZZRSEQAAHAFMMD-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507165027 490184414 /nfs/dbraw/zinc/18/44/14/490184414.db2.gz RSRRJLQWCHGXSF-ZDUSSCGKSA-N 2 1 354.414 0.806 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000556253990 491305966 /nfs/dbraw/zinc/30/59/66/491305966.db2.gz SPDGMDZTIIZXKG-QGZVFWFLSA-N 2 1 373.501 0.965 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000556253990 491305968 /nfs/dbraw/zinc/30/59/68/491305968.db2.gz SPDGMDZTIIZXKG-QGZVFWFLSA-N 2 1 373.501 0.965 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000520852551 490199618 /nfs/dbraw/zinc/19/96/18/490199618.db2.gz TUJWHAOBUIMUIG-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000556270440 491306936 /nfs/dbraw/zinc/30/69/36/491306936.db2.gz HOJGLHWPTPYODX-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000556270440 491306939 /nfs/dbraw/zinc/30/69/39/491306939.db2.gz HOJGLHWPTPYODX-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000521137635 490228058 /nfs/dbraw/zinc/22/80/58/490228058.db2.gz YCWFVEVDJLHMNS-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000521137635 490228065 /nfs/dbraw/zinc/22/80/65/490228065.db2.gz YCWFVEVDJLHMNS-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H]1CN(CC)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521201652 490236240 /nfs/dbraw/zinc/23/62/40/490236240.db2.gz NQGCWUWDMRCZMF-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000521217740 490237741 /nfs/dbraw/zinc/23/77/41/490237741.db2.gz WVYCEUFFUKLMLD-GDBMZVCRSA-N 2 1 362.474 0.611 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC000498050197 490250471 /nfs/dbraw/zinc/25/04/71/490250471.db2.gz ZZDSDYHYMGTZEA-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521370749 490253038 /nfs/dbraw/zinc/25/30/38/490253038.db2.gz IFJPMTCZLPGZRI-NVXWUHKLSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521370749 490253045 /nfs/dbraw/zinc/25/30/45/490253045.db2.gz IFJPMTCZLPGZRI-NVXWUHKLSA-N 2 1 364.490 0.053 20 0 FCADMP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000422320945 490255693 /nfs/dbraw/zinc/25/56/93/490255693.db2.gz OBBOCPZQBDWGEL-MRXNPFEDSA-N 2 1 359.474 0.685 20 0 FCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000422320945 490255703 /nfs/dbraw/zinc/25/57/03/490255703.db2.gz OBBOCPZQBDWGEL-MRXNPFEDSA-N 2 1 359.474 0.685 20 0 FCADMP COC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC[NH2+]C1 ZINC000564564876 491313729 /nfs/dbraw/zinc/31/37/29/491313729.db2.gz RXAZKKUUVCMVPH-HXUWFJFHSA-N 2 1 374.485 0.915 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000571548243 491314691 /nfs/dbraw/zinc/31/46/91/491314691.db2.gz QUGKPYXFJSZKDI-MRXNPFEDSA-N 2 1 370.538 0.650 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571548243 491314693 /nfs/dbraw/zinc/31/46/93/491314693.db2.gz QUGKPYXFJSZKDI-MRXNPFEDSA-N 2 1 370.538 0.650 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571548243 491314696 /nfs/dbraw/zinc/31/46/96/491314696.db2.gz QUGKPYXFJSZKDI-MRXNPFEDSA-N 2 1 370.538 0.650 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000447954359 490305026 /nfs/dbraw/zinc/30/50/26/490305026.db2.gz LFXAEDWCCBPJGL-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000447954359 490305030 /nfs/dbraw/zinc/30/50/30/490305030.db2.gz LFXAEDWCCBPJGL-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000447954359 490305034 /nfs/dbraw/zinc/30/50/34/490305034.db2.gz LFXAEDWCCBPJGL-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447973925 490306376 /nfs/dbraw/zinc/30/63/76/490306376.db2.gz CDEPLKWRPYVEJB-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447973925 490306379 /nfs/dbraw/zinc/30/63/79/490306379.db2.gz CDEPLKWRPYVEJB-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483327005 490307162 /nfs/dbraw/zinc/30/71/62/490307162.db2.gz RLHNOGVMVATSDK-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483327005 490307172 /nfs/dbraw/zinc/30/71/72/490307172.db2.gz RLHNOGVMVATSDK-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897325 490308820 /nfs/dbraw/zinc/30/88/20/490308820.db2.gz BGJMKTBTVMGNDH-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000483383384 490312064 /nfs/dbraw/zinc/31/20/64/490312064.db2.gz SJJWMACAPQGDLY-TWMKSMIVSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000521961052 490317664 /nfs/dbraw/zinc/31/76/64/490317664.db2.gz VPEIDOGARZPPKI-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000521961052 490317668 /nfs/dbraw/zinc/31/76/68/490317668.db2.gz VPEIDOGARZPPKI-QGZVFWFLSA-N 2 1 366.506 0.300 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456083 490331427 /nfs/dbraw/zinc/33/14/27/490331427.db2.gz PWYKCDNQNYRKIL-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000422456083 490331434 /nfs/dbraw/zinc/33/14/34/490331434.db2.gz PWYKCDNQNYRKIL-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000422456083 490331442 /nfs/dbraw/zinc/33/14/42/490331442.db2.gz PWYKCDNQNYRKIL-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467703789 490331952 /nfs/dbraw/zinc/33/19/52/490331952.db2.gz FQSKQTKFQSUCTI-YQQQUEKLSA-N 2 1 371.481 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000408437193 490336427 /nfs/dbraw/zinc/33/64/27/490336427.db2.gz QNUYNQMZNNUTKQ-GDBMZVCRSA-N 2 1 353.511 0.521 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000408437193 490336429 /nfs/dbraw/zinc/33/64/29/490336429.db2.gz QNUYNQMZNNUTKQ-GDBMZVCRSA-N 2 1 353.511 0.521 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000422487339 490353721 /nfs/dbraw/zinc/35/37/21/490353721.db2.gz HZEVFUZADMMPJZ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000422487339 490353724 /nfs/dbraw/zinc/35/37/24/490353724.db2.gz HZEVFUZADMMPJZ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487339 490353729 /nfs/dbraw/zinc/35/37/29/490353729.db2.gz HZEVFUZADMMPJZ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000422487339 490353732 /nfs/dbraw/zinc/35/37/32/490353732.db2.gz HZEVFUZADMMPJZ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000522248442 490358612 /nfs/dbraw/zinc/35/86/12/490358612.db2.gz OJGCQLDDMGGQHG-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000522248442 490358619 /nfs/dbraw/zinc/35/86/19/490358619.db2.gz OJGCQLDDMGGQHG-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522266318 490361978 /nfs/dbraw/zinc/36/19/78/490361978.db2.gz HAGWSYJJNYGBMG-SFHVURJKSA-N 2 1 373.501 0.574 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522266318 490361988 /nfs/dbraw/zinc/36/19/88/490361988.db2.gz HAGWSYJJNYGBMG-SFHVURJKSA-N 2 1 373.501 0.574 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522266317 490362335 /nfs/dbraw/zinc/36/23/35/490362335.db2.gz HAGWSYJJNYGBMG-GOSISDBHSA-N 2 1 373.501 0.574 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522266317 490362341 /nfs/dbraw/zinc/36/23/41/490362341.db2.gz HAGWSYJJNYGBMG-GOSISDBHSA-N 2 1 373.501 0.574 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289281 490366791 /nfs/dbraw/zinc/36/67/91/490366791.db2.gz ANDOFEQBJDHTEC-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000498943334 490367316 /nfs/dbraw/zinc/36/73/16/490367316.db2.gz OJNSFPOEVXDUSS-UHFFFAOYSA-N 2 1 350.507 0.993 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522304789 490368656 /nfs/dbraw/zinc/36/86/56/490368656.db2.gz BTDMYSDMJMJAFY-INIZCTEOSA-N 2 1 373.505 0.525 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522304789 490368663 /nfs/dbraw/zinc/36/86/63/490368663.db2.gz BTDMYSDMJMJAFY-INIZCTEOSA-N 2 1 373.505 0.525 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410992250 490376891 /nfs/dbraw/zinc/37/68/91/490376891.db2.gz WOUDNOUPRGZVCE-SJORKVTESA-N 2 1 373.501 0.754 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410992250 490376898 /nfs/dbraw/zinc/37/68/98/490376898.db2.gz WOUDNOUPRGZVCE-SJORKVTESA-N 2 1 373.501 0.754 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccoc1CC(N)=O ZINC000509067295 490386792 /nfs/dbraw/zinc/38/67/92/490386792.db2.gz GEODSYJVEMYSQB-AWEZNQCLSA-N 2 1 350.463 0.796 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571690907 491323241 /nfs/dbraw/zinc/32/32/41/491323241.db2.gz IRNLLSNHKCZQNP-MRXNPFEDSA-N 2 1 353.511 0.700 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000484161853 490391393 /nfs/dbraw/zinc/39/13/93/490391393.db2.gz MWEILJZGJMMXMV-NVXWUHKLSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000522763725 490402810 /nfs/dbraw/zinc/40/28/10/490402810.db2.gz QMXQPONGBGPBDG-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000522763725 490402814 /nfs/dbraw/zinc/40/28/14/490402814.db2.gz QMXQPONGBGPBDG-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000468505285 490410062 /nfs/dbraw/zinc/41/00/62/490410062.db2.gz NKUXGKBSAKBTHA-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)N1CCN(Cc2ccsc2)CC1 ZINC000548076797 490416720 /nfs/dbraw/zinc/41/67/20/490416720.db2.gz JIMMYKBHVRBDLJ-QGZVFWFLSA-N 2 1 367.515 0.866 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000522974899 490423534 /nfs/dbraw/zinc/42/35/34/490423534.db2.gz FWQWTIGAPAEFFH-HZPDHXFCSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000522974899 490423541 /nfs/dbraw/zinc/42/35/41/490423541.db2.gz FWQWTIGAPAEFFH-HZPDHXFCSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000522974899 490423545 /nfs/dbraw/zinc/42/35/45/490423545.db2.gz FWQWTIGAPAEFFH-HZPDHXFCSA-N 2 1 365.522 0.890 20 0 FCADMP CC1[C@@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000449827027 490430602 /nfs/dbraw/zinc/43/06/02/490430602.db2.gz GXIBRWVQAMIRKY-WNRNVDISSA-N 2 1 360.502 0.482 20 0 FCADMP CC1[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000449827025 490430828 /nfs/dbraw/zinc/43/08/28/490430828.db2.gz GXIBRWVQAMIRKY-BRSBDYLESA-N 2 1 360.502 0.482 20 0 FCADMP CC1[C@@H](C(=O)N(C)C[C@H]2CC[NH+](C)C2)[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000449849566 490432732 /nfs/dbraw/zinc/43/27/32/490432732.db2.gz NVIBVUDGTZUIQJ-WNRNVDISSA-N 2 1 364.534 0.689 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000509727505 490457687 /nfs/dbraw/zinc/45/76/87/490457687.db2.gz ZHPLIQKMIAMFDX-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000523662555 490482694 /nfs/dbraw/zinc/48/26/94/490482694.db2.gz LCUAHOKNDUGLQI-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000523662555 490482699 /nfs/dbraw/zinc/48/26/99/490482699.db2.gz LCUAHOKNDUGLQI-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000422889532 490491006 /nfs/dbraw/zinc/49/10/06/490491006.db2.gz GKBLNBNDEJPPLK-RDTXWAMCSA-N 2 1 354.454 0.950 20 0 FCADMP CCCCS(=O)(=O)NCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000535563203 490500368 /nfs/dbraw/zinc/50/03/68/490500368.db2.gz PMVHMKPLIOSXCK-UHFFFAOYSA-N 2 1 369.491 0.491 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000422954983 490504697 /nfs/dbraw/zinc/50/46/97/490504697.db2.gz KGIGDATZFSYVML-INIZCTEOSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721780 490517019 /nfs/dbraw/zinc/51/70/19/490517019.db2.gz XYKFEJIZOONJCS-IHPCNDPISA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721780 490517023 /nfs/dbraw/zinc/51/70/23/490517023.db2.gz XYKFEJIZOONJCS-IHPCNDPISA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535721780 490517026 /nfs/dbraw/zinc/51/70/26/490517026.db2.gz XYKFEJIZOONJCS-IHPCNDPISA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535721780 490517029 /nfs/dbraw/zinc/51/70/29/490517029.db2.gz XYKFEJIZOONJCS-IHPCNDPISA-N 2 1 372.513 0.782 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCC[NH2+]CC3)c2)C1 ZINC000571864683 491333377 /nfs/dbraw/zinc/33/33/77/491333377.db2.gz GTKPFCAPIVXPNS-GOSISDBHSA-N 2 1 373.501 0.889 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423036388 490525944 /nfs/dbraw/zinc/52/59/44/490525944.db2.gz KYJJUDDIZJDLQS-HDICACEKSA-N 2 1 356.470 0.051 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423038584 490527393 /nfs/dbraw/zinc/52/73/93/490527393.db2.gz OMVSXZXVTIVCGL-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063605 490534036 /nfs/dbraw/zinc/53/40/36/490534036.db2.gz WQSDPMSCCYFCIK-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423074525 490536686 /nfs/dbraw/zinc/53/66/86/490536686.db2.gz UXWSMTYKZSGLME-FHWLQOOXSA-N 2 1 370.497 0.787 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)CC1=O ZINC000524775070 490558871 /nfs/dbraw/zinc/55/88/71/490558871.db2.gz OPVKVPMXPHTFRL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1=O ZINC000524775070 490558875 /nfs/dbraw/zinc/55/88/75/490558875.db2.gz OPVKVPMXPHTFRL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1=O ZINC000524775070 490558881 /nfs/dbraw/zinc/55/88/81/490558881.db2.gz OPVKVPMXPHTFRL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830065 490562536 /nfs/dbraw/zinc/56/25/36/490562536.db2.gz MTJOQLDZGABUSO-CVEARBPZSA-N 2 1 363.510 0.206 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000564913664 491336168 /nfs/dbraw/zinc/33/61/68/491336168.db2.gz RFCZCMHOWFMBDS-GDBMZVCRSA-N 2 1 364.515 0.945 20 0 FCADMP O[C@H](COCc1ccco1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501114511 490579679 /nfs/dbraw/zinc/57/96/79/490579679.db2.gz COWWYEPPJUTGQY-INIZCTEOSA-N 2 1 354.447 0.316 20 0 FCADMP C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179862 490582909 /nfs/dbraw/zinc/58/29/09/490582909.db2.gz DXQZTOYAQKOTSC-XLIONFOSSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000549527694 490587439 /nfs/dbraw/zinc/58/74/39/490587439.db2.gz YEFOETSNRIYUDS-HZPDHXFCSA-N 2 1 374.485 0.457 20 0 FCADMP C[C@@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000525293440 490593461 /nfs/dbraw/zinc/59/34/61/490593461.db2.gz ZKCUWCGLFSTHCE-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000525293440 490593467 /nfs/dbraw/zinc/59/34/67/490593467.db2.gz ZKCUWCGLFSTHCE-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000571941752 491338912 /nfs/dbraw/zinc/33/89/12/491338912.db2.gz XVZPTKXLVYPBAW-TWMKSMIVSA-N 2 1 365.522 0.698 20 0 FCADMP CC1(C)CC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC(C)(C)[NH2+]1 ZINC000549877637 490613008 /nfs/dbraw/zinc/61/30/08/490613008.db2.gz KENNRFYRDLOWRP-UHFFFAOYSA-N 2 1 356.536 0.577 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000536933945 490625497 /nfs/dbraw/zinc/62/54/97/490625497.db2.gz SKQCAFOETOCCNE-KSZLIROESA-N 2 1 366.506 0.834 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000536933945 490625501 /nfs/dbraw/zinc/62/55/01/490625501.db2.gz SKQCAFOETOCCNE-KSZLIROESA-N 2 1 366.506 0.834 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635908 490627254 /nfs/dbraw/zinc/62/72/54/490627254.db2.gz GVRXVVFZFNJFMG-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640297 490629070 /nfs/dbraw/zinc/62/90/70/490629070.db2.gz OZRAZTRSCANDNO-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640297 490629075 /nfs/dbraw/zinc/62/90/75/490629075.db2.gz OZRAZTRSCANDNO-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640297 490629078 /nfs/dbraw/zinc/62/90/78/490629078.db2.gz OZRAZTRSCANDNO-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640273 490629924 /nfs/dbraw/zinc/62/99/24/490629924.db2.gz NKUWLUVWJFLSGX-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501648117 490630784 /nfs/dbraw/zinc/63/07/84/490630784.db2.gz XXWKQPOKLLTIBL-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465089 490671673 /nfs/dbraw/zinc/67/16/73/490671673.db2.gz XNTNTBFPNILNOG-DOTOQJQBSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292996 490671992 /nfs/dbraw/zinc/67/19/92/490671992.db2.gz CRGQVXFQHUQGBJ-ZDUSSCGKSA-N 2 1 354.476 0.546 20 0 FCADMP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000486813802 490673898 /nfs/dbraw/zinc/67/38/98/490673898.db2.gz RGILJOGEFVGLOK-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074328 490674755 /nfs/dbraw/zinc/67/47/55/490674755.db2.gz JPLRWXWHVAMVFE-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CCO[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487012314 490687074 /nfs/dbraw/zinc/68/70/74/490687074.db2.gz AQNFHKSXGFNUNM-ZHCJQAHYSA-N 2 1 368.522 0.019 20 0 FCADMP CCO[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487012314 490687078 /nfs/dbraw/zinc/68/70/78/490687078.db2.gz AQNFHKSXGFNUNM-ZHCJQAHYSA-N 2 1 368.522 0.019 20 0 FCADMP CCO[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487012314 490687082 /nfs/dbraw/zinc/68/70/82/490687082.db2.gz AQNFHKSXGFNUNM-ZHCJQAHYSA-N 2 1 368.522 0.019 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000565032785 491347051 /nfs/dbraw/zinc/34/70/51/491347051.db2.gz QIXLDNVOOUTCLP-GASCZTMLSA-N 2 1 352.483 0.636 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281401 490703355 /nfs/dbraw/zinc/70/33/55/490703355.db2.gz MYLHWAQSHORMBJ-CBBWQLFWSA-N 2 1 364.469 0.773 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281401 490703357 /nfs/dbraw/zinc/70/33/57/490703357.db2.gz MYLHWAQSHORMBJ-CBBWQLFWSA-N 2 1 364.469 0.773 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513207128 490714749 /nfs/dbraw/zinc/71/47/49/490714749.db2.gz UKSGSVBVABWVKS-HZPDHXFCSA-N 2 1 359.536 0.780 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513207128 490714752 /nfs/dbraw/zinc/71/47/52/490714752.db2.gz UKSGSVBVABWVKS-HZPDHXFCSA-N 2 1 359.536 0.780 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000538219392 490720243 /nfs/dbraw/zinc/72/02/43/490720243.db2.gz DERAHKWKIKIEAT-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000538219392 490720245 /nfs/dbraw/zinc/72/02/45/490720245.db2.gz DERAHKWKIKIEAT-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487596798 490721063 /nfs/dbraw/zinc/72/10/63/490721063.db2.gz KJKZNZVYPYZBKE-DLBZAZTESA-N 2 1 356.511 0.632 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000572124426 491349899 /nfs/dbraw/zinc/34/98/99/491349899.db2.gz VTEALGNQDPVSKC-RTBURBONSA-N 2 1 358.486 0.394 20 0 FCADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000503075020 490737726 /nfs/dbraw/zinc/73/77/26/490737726.db2.gz MMQHSZQHAVMJTI-CVEARBPZSA-N 2 1 356.492 0.059 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC1([NH+](C)C)CCOCC1)n2C ZINC000538684472 490744089 /nfs/dbraw/zinc/74/40/89/490744089.db2.gz HRSOLRZOZIGBNU-UHFFFAOYSA-N 2 1 360.462 0.875 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCCC2)CC1 ZINC000488074355 490745135 /nfs/dbraw/zinc/74/51/35/490745135.db2.gz ALUMPBWPVMRKEE-SFHVURJKSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC000572071581 491346734 /nfs/dbraw/zinc/34/67/34/491346734.db2.gz PTJMTECCHQXURQ-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660208287 493334401 /nfs/dbraw/zinc/33/44/01/493334401.db2.gz PJMMGWPZDWPDGG-MRXNPFEDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000539145463 490765123 /nfs/dbraw/zinc/76/51/23/490765123.db2.gz LGWKOXQRHBICDQ-ROUUACIJSA-N 2 1 355.523 0.909 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000514594138 490772284 /nfs/dbraw/zinc/77/22/84/490772284.db2.gz LJXNQMNEBCDPTP-HOTGVXAUSA-N 2 1 371.485 0.780 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000514594138 490772289 /nfs/dbraw/zinc/77/22/89/490772289.db2.gz LJXNQMNEBCDPTP-HOTGVXAUSA-N 2 1 371.485 0.780 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000514663240 490779212 /nfs/dbraw/zinc/77/92/12/490779212.db2.gz HZUGRZLEGQFEDN-HUUCEWRRSA-N 2 1 359.465 0.795 20 0 FCADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000514786263 490787912 /nfs/dbraw/zinc/78/79/12/490787912.db2.gz UKKXKBWCCAXKNV-UHFFFAOYSA-N 2 1 366.554 0.880 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132688 491356093 /nfs/dbraw/zinc/35/60/93/491356093.db2.gz CZKVXSVYSWLGST-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000557132688 491356094 /nfs/dbraw/zinc/35/60/94/491356094.db2.gz CZKVXSVYSWLGST-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000557132688 491356095 /nfs/dbraw/zinc/35/60/95/491356095.db2.gz CZKVXSVYSWLGST-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000514999366 490802112 /nfs/dbraw/zinc/80/21/12/490802112.db2.gz GFFBTTLITVXHPX-KRWDZBQOSA-N 2 1 365.522 0.668 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322858 490817199 /nfs/dbraw/zinc/81/71/99/490817199.db2.gz ZLDHBDILOZTPKJ-LMMKCTJWSA-N 2 1 356.555 0.414 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498639 490829046 /nfs/dbraw/zinc/82/90/46/490829046.db2.gz AEGQXLCOPCQNHN-BBRMVZONSA-N 2 1 356.426 0.307 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529323765 490852152 /nfs/dbraw/zinc/85/21/52/490852152.db2.gz FBPGCLUDAKLFIJ-QGZVFWFLSA-N 2 1 354.495 0.509 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572304672 491361757 /nfs/dbraw/zinc/36/17/57/491361757.db2.gz XFEWAHQQHUWXDK-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000541243390 490855905 /nfs/dbraw/zinc/85/59/05/490855905.db2.gz GSSYNPHEDIUMHB-GBESFXJTSA-N 2 1 366.550 0.972 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572285924 491360377 /nfs/dbraw/zinc/36/03/77/491360377.db2.gz LEEJZQSIEABIFW-AALSBFMBSA-N 2 1 354.495 0.329 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239942 491363958 /nfs/dbraw/zinc/36/39/58/491363958.db2.gz OBBUXYKPLNKFAU-NXHRZFHOSA-N 2 1 356.470 0.814 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239942 491363960 /nfs/dbraw/zinc/36/39/60/491363960.db2.gz OBBUXYKPLNKFAU-NXHRZFHOSA-N 2 1 356.470 0.814 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239940 491363979 /nfs/dbraw/zinc/36/39/79/491363979.db2.gz OBBUXYKPLNKFAU-JQHSSLGASA-N 2 1 356.470 0.814 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCN2C1=O ZINC000565239940 491363981 /nfs/dbraw/zinc/36/39/81/491363981.db2.gz OBBUXYKPLNKFAU-JQHSSLGASA-N 2 1 356.470 0.814 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530577110 490914208 /nfs/dbraw/zinc/91/42/08/490914208.db2.gz IZDPCEJKNGGDSN-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530577110 490914209 /nfs/dbraw/zinc/91/42/09/490914209.db2.gz IZDPCEJKNGGDSN-FQEVSTJZSA-N 2 1 361.486 0.539 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292206 491365443 /nfs/dbraw/zinc/36/54/43/491365443.db2.gz DTQMGNGYLCEXOO-CRAIPNDOSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292206 491365446 /nfs/dbraw/zinc/36/54/46/491365446.db2.gz DTQMGNGYLCEXOO-CRAIPNDOSA-N 2 1 374.485 0.260 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000518800280 490952305 /nfs/dbraw/zinc/95/23/05/490952305.db2.gz OXGUVWSBNWYMDP-UHFFFAOYSA-N 2 1 368.522 0.327 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000519129605 490961950 /nfs/dbraw/zinc/96/19/50/490961950.db2.gz FBODPZFYGQPGIM-HZPDHXFCSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000519129605 490961952 /nfs/dbraw/zinc/96/19/52/490961952.db2.gz FBODPZFYGQPGIM-HZPDHXFCSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000519129605 490961953 /nfs/dbraw/zinc/96/19/53/490961953.db2.gz FBODPZFYGQPGIM-HZPDHXFCSA-N 2 1 355.527 0.957 20 0 FCADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000519639626 490981134 /nfs/dbraw/zinc/98/11/34/490981134.db2.gz JPQNCPSDVCWQQY-KRWDZBQOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000532010921 490982965 /nfs/dbraw/zinc/98/29/65/490982965.db2.gz AXQPMCOVBAEBIA-NJAFHUGGSA-N 2 1 368.522 0.632 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000553956626 491166202 /nfs/dbraw/zinc/16/62/02/491166202.db2.gz KLFQDZXNIRPZKB-GJZGRUSLSA-N 2 1 368.522 0.591 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)n1C ZINC000554176802 491181571 /nfs/dbraw/zinc/18/15/71/491181571.db2.gz PULUOFXHQFAWRW-UHFFFAOYSA-N 2 1 364.494 0.293 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000569697515 491182835 /nfs/dbraw/zinc/18/28/35/491182835.db2.gz QJHDTWJIXWLPHP-CQSZACIVSA-N 3 1 370.461 0.429 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)C1CC1 ZINC000557380704 491370816 /nfs/dbraw/zinc/37/08/16/491370816.db2.gz IWXBHCFLTBJFMH-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C1CC1 ZINC000557380704 491370817 /nfs/dbraw/zinc/37/08/17/491370817.db2.gz IWXBHCFLTBJFMH-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C1CC1 ZINC000557380704 491370818 /nfs/dbraw/zinc/37/08/18/491370818.db2.gz IWXBHCFLTBJFMH-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557381309 491371819 /nfs/dbraw/zinc/37/18/19/491371819.db2.gz JPMSFULZKRRLBB-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557381309 491371821 /nfs/dbraw/zinc/37/18/21/491371821.db2.gz JPMSFULZKRRLBB-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000557381309 491371823 /nfs/dbraw/zinc/37/18/23/491371823.db2.gz JPMSFULZKRRLBB-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000557381309 491371825 /nfs/dbraw/zinc/37/18/25/491371825.db2.gz JPMSFULZKRRLBB-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660270755 493337626 /nfs/dbraw/zinc/33/76/26/493337626.db2.gz PMAMTGCFDQDNGE-WBVHZDCISA-N 2 1 359.474 0.529 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCN3CCOCC3)CC2)CC1 ZINC000565498051 491380421 /nfs/dbraw/zinc/38/04/21/491380421.db2.gz YEUNYXDCQFBDCQ-UHFFFAOYSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000572603163 491380939 /nfs/dbraw/zinc/38/09/39/491380939.db2.gz XWQJRLDREBSFFY-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557554534 491382190 /nfs/dbraw/zinc/38/21/90/491382190.db2.gz MPDKFALJADESOM-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP COc1cnc(NC[C@H]2CCC[N@@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573480 491384362 /nfs/dbraw/zinc/38/43/62/491384362.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000557573480 491384364 /nfs/dbraw/zinc/38/43/64/491384364.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000557573480 491384365 /nfs/dbraw/zinc/38/43/65/491384365.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 2 1 362.522 0.836 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000565610665 491388737 /nfs/dbraw/zinc/38/87/37/491388737.db2.gz XXPHKOLITBOPFF-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000572832575 491396329 /nfs/dbraw/zinc/39/63/29/491396329.db2.gz KSPXZGSHQJDNQN-CVEARBPZSA-N 2 1 357.458 0.107 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000557754026 491396540 /nfs/dbraw/zinc/39/65/40/491396540.db2.gz JRUFEDLAYQOUKO-INIZCTEOSA-N 2 1 364.494 0.594 20 0 FCADMP CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000557754026 491396541 /nfs/dbraw/zinc/39/65/41/491396541.db2.gz JRUFEDLAYQOUKO-INIZCTEOSA-N 2 1 364.494 0.594 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572905893 491401047 /nfs/dbraw/zinc/40/10/47/491401047.db2.gz IRMVECHASKMSKB-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966851 491404472 /nfs/dbraw/zinc/40/44/72/491404472.db2.gz KBGSZDJCQJKCMG-WMZOPIPTSA-N 2 1 369.531 0.956 20 0 FCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966851 491404475 /nfs/dbraw/zinc/40/44/75/491404475.db2.gz KBGSZDJCQJKCMG-WMZOPIPTSA-N 2 1 369.531 0.956 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000573017461 491407509 /nfs/dbraw/zinc/40/75/09/491407509.db2.gz GJKVZVKIDRTPML-UHFFFAOYSA-N 2 1 364.494 0.165 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000558007562 491408386 /nfs/dbraw/zinc/40/83/86/491408386.db2.gz VMNSCNPNWMLDAA-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000558007562 491408388 /nfs/dbraw/zinc/40/83/88/491408388.db2.gz VMNSCNPNWMLDAA-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000558007562 491408389 /nfs/dbraw/zinc/40/83/89/491408389.db2.gz VMNSCNPNWMLDAA-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660299173 493341019 /nfs/dbraw/zinc/34/10/19/493341019.db2.gz YVPQWIBTMLWSKP-MSOLQXFVSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@H](C)O1 ZINC000566157420 491421287 /nfs/dbraw/zinc/42/12/87/491421287.db2.gz HATKDFNNFZBLQB-GASCZTMLSA-N 2 1 364.494 0.588 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000566171684 491422345 /nfs/dbraw/zinc/42/23/45/491422345.db2.gz KBHDLECVVNXHHS-QGZVFWFLSA-N 2 1 360.458 0.003 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000566197813 491425078 /nfs/dbraw/zinc/42/50/78/491425078.db2.gz QOWUUZHDOYMKSI-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000558359725 491426982 /nfs/dbraw/zinc/42/69/82/491426982.db2.gz ITEPIPMGFLXVPD-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000558359725 491426985 /nfs/dbraw/zinc/42/69/85/491426985.db2.gz ITEPIPMGFLXVPD-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000558359725 491426988 /nfs/dbraw/zinc/42/69/88/491426988.db2.gz ITEPIPMGFLXVPD-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCN3CC[NH2+]CC3)C2=O)c1 ZINC000573491558 491436772 /nfs/dbraw/zinc/43/67/72/491436772.db2.gz POPQLKVGKILSDY-GOSISDBHSA-N 2 1 362.474 0.646 20 0 FCADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CCN3CC[NH2+]CC3)C2=O)c1 ZINC000573491558 491436774 /nfs/dbraw/zinc/43/67/74/491436774.db2.gz POPQLKVGKILSDY-GOSISDBHSA-N 2 1 362.474 0.646 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573491292 491436885 /nfs/dbraw/zinc/43/68/85/491436885.db2.gz DEBSJEPXDUOUHC-KNPMLCFXSA-N 2 1 366.487 0.720 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573491292 491436886 /nfs/dbraw/zinc/43/68/86/491436886.db2.gz DEBSJEPXDUOUHC-KNPMLCFXSA-N 2 1 366.487 0.720 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](CO)OC[C@H]3C)CC2)CC1 ZINC000566439720 491443650 /nfs/dbraw/zinc/44/36/50/491443650.db2.gz LTWIICXWMMMWAI-QAPCUYQASA-N 2 1 353.507 0.791 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660330303 493343645 /nfs/dbraw/zinc/34/36/45/493343645.db2.gz ROODPSLZZBVAGE-MRXNPFEDSA-N 2 1 365.522 0.618 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660330303 493343647 /nfs/dbraw/zinc/34/36/47/493343647.db2.gz ROODPSLZZBVAGE-MRXNPFEDSA-N 2 1 365.522 0.618 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000566511922 491450519 /nfs/dbraw/zinc/45/05/19/491450519.db2.gz DKZWAURCUGSQRY-LJQANCHMSA-N 2 1 370.497 0.798 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566572502 491454182 /nfs/dbraw/zinc/45/41/82/491454182.db2.gz FDAUSJPMFZWNLA-RCCFBDPRSA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566572502 491454183 /nfs/dbraw/zinc/45/41/83/491454183.db2.gz FDAUSJPMFZWNLA-RCCFBDPRSA-N 2 1 374.485 0.260 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000573797782 491455453 /nfs/dbraw/zinc/45/54/53/491455453.db2.gz HNTNXQQLUUNSGE-OAHLLOKOSA-N 2 1 350.488 0.303 20 0 FCADMP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000573820686 491457273 /nfs/dbraw/zinc/45/72/73/491457273.db2.gz FUHTZTOVEWVSLB-DOTOQJQBSA-N 2 1 358.421 0.956 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000566751490 491464519 /nfs/dbraw/zinc/46/45/19/491464519.db2.gz UBOMBHLHWLOLEN-ZMSDIMECSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000566751490 491464522 /nfs/dbraw/zinc/46/45/22/491464522.db2.gz UBOMBHLHWLOLEN-ZMSDIMECSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000566751490 491464524 /nfs/dbraw/zinc/46/45/24/491464524.db2.gz UBOMBHLHWLOLEN-ZMSDIMECSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000559330430 491464946 /nfs/dbraw/zinc/46/49/46/491464946.db2.gz ANAYIKDEJOPYSA-UHFFFAOYSA-N 2 1 354.495 0.206 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000566795205 491467615 /nfs/dbraw/zinc/46/76/15/491467615.db2.gz DEZGVHIHOIXHGD-INIZCTEOSA-N 2 1 362.449 0.586 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000559382829 491468908 /nfs/dbraw/zinc/46/89/08/491468908.db2.gz FFXZVNGAYZRNNQ-UHFFFAOYSA-N 2 1 350.467 0.091 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441098 491473454 /nfs/dbraw/zinc/47/34/54/491473454.db2.gz KDULEBHLMVSJLD-WBVHZDCISA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000559441098 491473455 /nfs/dbraw/zinc/47/34/55/491473455.db2.gz KDULEBHLMVSJLD-WBVHZDCISA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000559441098 491473456 /nfs/dbraw/zinc/47/34/56/491473456.db2.gz KDULEBHLMVSJLD-WBVHZDCISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000566973818 491478435 /nfs/dbraw/zinc/47/84/35/491478435.db2.gz HMKGJHPFRJOQIY-RWMBFGLXSA-N 2 1 352.504 0.853 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000566973818 491478438 /nfs/dbraw/zinc/47/84/38/491478438.db2.gz HMKGJHPFRJOQIY-RWMBFGLXSA-N 2 1 352.504 0.853 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000559564000 491481750 /nfs/dbraw/zinc/48/17/50/491481750.db2.gz APQVSDDCYPMMMH-MRXNPFEDSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000567235824 491493401 /nfs/dbraw/zinc/49/34/01/491493401.db2.gz XULSURLKQYIHDT-WBVHZDCISA-N 2 1 366.506 0.286 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(C)(C)N1CCOCC1 ZINC000574448342 491497129 /nfs/dbraw/zinc/49/71/29/491497129.db2.gz ZHQWDERZOGVRBN-UHFFFAOYSA-N 2 1 357.543 0.622 20 0 FCADMP CN(CCCN(C)C(=O)NCC(C)(C)N1CCOCC1)CC[NH+](C)C ZINC000574448342 491497131 /nfs/dbraw/zinc/49/71/31/491497131.db2.gz ZHQWDERZOGVRBN-UHFFFAOYSA-N 2 1 357.543 0.622 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000574570431 491505693 /nfs/dbraw/zinc/50/56/93/491505693.db2.gz NHWNMHLXXYYRHS-SFHVURJKSA-N 2 1 358.486 0.980 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000559866851 491506377 /nfs/dbraw/zinc/50/63/77/491506377.db2.gz GDSVPDMMPKYRNT-KBXCAEBGSA-N 2 1 370.563 0.777 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571485 491514835 /nfs/dbraw/zinc/51/48/35/491514835.db2.gz HZPIFTFYZGJQFV-IRXDYDNUSA-N 2 1 355.527 0.408 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(=O)N(C)C3=O)CC2)CC1 ZINC000567626703 491519186 /nfs/dbraw/zinc/51/91/86/491519186.db2.gz USQOQSFTMOTPOF-OAHLLOKOSA-N 2 1 350.463 0.056 20 0 FCADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000683378092 493348255 /nfs/dbraw/zinc/34/82/55/493348255.db2.gz BOVISIRGHKVPFG-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754802 491527310 /nfs/dbraw/zinc/52/73/10/491527310.db2.gz SHKWRLLVQKURMR-MSOLQXFVSA-N 2 1 360.502 0.861 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000574981661 491531312 /nfs/dbraw/zinc/53/13/12/491531312.db2.gz YSUAGEOGXLKQGO-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000575122482 491540680 /nfs/dbraw/zinc/54/06/80/491540680.db2.gz RWIYQFLMJZBTJY-FAFZWHIHSA-N 2 1 364.534 0.962 20 0 FCADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000575122482 491540681 /nfs/dbraw/zinc/54/06/81/491540681.db2.gz RWIYQFLMJZBTJY-FAFZWHIHSA-N 2 1 364.534 0.962 20 0 FCADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000575122482 491540683 /nfs/dbraw/zinc/54/06/83/491540683.db2.gz RWIYQFLMJZBTJY-FAFZWHIHSA-N 2 1 364.534 0.962 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)CCC(F)(F)F ZINC000560654279 491550138 /nfs/dbraw/zinc/55/01/38/491550138.db2.gz QEQYGNQERFDQPD-LBPRGKRZSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1)CCC(F)(F)F ZINC000560654279 491550139 /nfs/dbraw/zinc/55/01/39/491550139.db2.gz QEQYGNQERFDQPD-LBPRGKRZSA-N 2 1 364.412 0.730 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)CCC(F)(F)F ZINC000560654279 491550140 /nfs/dbraw/zinc/55/01/40/491550140.db2.gz QEQYGNQERFDQPD-LBPRGKRZSA-N 2 1 364.412 0.730 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)CCC(F)(F)F ZINC000560654279 491550141 /nfs/dbraw/zinc/55/01/41/491550141.db2.gz QEQYGNQERFDQPD-LBPRGKRZSA-N 2 1 364.412 0.730 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000575733576 491556859 /nfs/dbraw/zinc/55/68/59/491556859.db2.gz CGLNKSGWBQAHLN-KRWDZBQOSA-N 2 1 363.506 0.492 20 0 FCADMP COc1ccc(CCC(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000575803900 491562369 /nfs/dbraw/zinc/56/23/69/491562369.db2.gz VBGUQGQTJQTCEV-UHFFFAOYSA-N 2 1 360.502 0.677 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000560939941 491566335 /nfs/dbraw/zinc/56/63/35/491566335.db2.gz RIJDLPIMIATJRG-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000560939941 491566336 /nfs/dbraw/zinc/56/63/36/491566336.db2.gz RIJDLPIMIATJRG-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000560939941 491566339 /nfs/dbraw/zinc/56/63/39/491566339.db2.gz RIJDLPIMIATJRG-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575902759 491569124 /nfs/dbraw/zinc/56/91/24/491569124.db2.gz XNFOGCLDJMDKDJ-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000561116317 491575396 /nfs/dbraw/zinc/57/53/96/491575396.db2.gz UQDCCPCJSBOPLX-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1C[NH2+]C1 ZINC000576036942 491577392 /nfs/dbraw/zinc/57/73/92/491577392.db2.gz BYOQFCDQXWHFEA-SNPRPXQTSA-N 2 1 364.469 0.773 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000561173486 491580035 /nfs/dbraw/zinc/58/00/35/491580035.db2.gz ZPMOOLAHFZSPBF-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000561173486 491580037 /nfs/dbraw/zinc/58/00/37/491580037.db2.gz ZPMOOLAHFZSPBF-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000561176692 491580439 /nfs/dbraw/zinc/58/04/39/491580439.db2.gz WOPZRNCEWUERGN-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000561176692 491580441 /nfs/dbraw/zinc/58/04/41/491580441.db2.gz WOPZRNCEWUERGN-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000561176692 491580442 /nfs/dbraw/zinc/58/04/42/491580442.db2.gz WOPZRNCEWUERGN-GJZGRUSLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000561194659 491581862 /nfs/dbraw/zinc/58/18/62/491581862.db2.gz RLHOTLZVVCGHDH-OAHLLOKOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000561234393 491586930 /nfs/dbraw/zinc/58/69/30/491586930.db2.gz QTALDCHJIFBQCI-QGZVFWFLSA-N 2 1 368.522 0.355 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000577106790 491590529 /nfs/dbraw/zinc/59/05/29/491590529.db2.gz WTWQAIZVBLWKIH-HXUWFJFHSA-N 2 1 358.486 0.587 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000577108822 491591043 /nfs/dbraw/zinc/59/10/43/491591043.db2.gz AVJHUNMMZKDQBQ-HNNXBMFYSA-N 2 1 357.458 0.716 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000577108822 491591047 /nfs/dbraw/zinc/59/10/47/491591047.db2.gz AVJHUNMMZKDQBQ-HNNXBMFYSA-N 2 1 357.458 0.716 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000568610190 491591648 /nfs/dbraw/zinc/59/16/48/491591648.db2.gz QEONTCWXEBSTHU-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000660470023 493353675 /nfs/dbraw/zinc/35/36/75/493353675.db2.gz JBLYEXIXCNRQBB-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000660470023 493353679 /nfs/dbraw/zinc/35/36/79/493353679.db2.gz JBLYEXIXCNRQBB-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000660470023 493353681 /nfs/dbraw/zinc/35/36/81/493353681.db2.gz JBLYEXIXCNRQBB-IPMKNSEASA-N 2 1 370.497 0.882 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1=O ZINC000568635269 491595457 /nfs/dbraw/zinc/59/54/57/491595457.db2.gz XAMGTQYKADOESZ-GPMSIDNRSA-N 2 1 366.506 0.204 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000568667176 491598541 /nfs/dbraw/zinc/59/85/41/491598541.db2.gz SYNXGRQXQWPFTH-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C[C@H](C)O1 ZINC000576330393 491605036 /nfs/dbraw/zinc/60/50/36/491605036.db2.gz MZGIZAUERARXOX-SOLBZPMBSA-N 2 1 367.538 0.421 20 0 FCADMP C[C@]1(n2cc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)cn2)CCS(=O)(=O)C1 ZINC000577274393 491608318 /nfs/dbraw/zinc/60/83/18/491608318.db2.gz IKDINRKRNZRXCB-KBPBESRZSA-N 2 1 362.446 0.751 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000568795693 491610609 /nfs/dbraw/zinc/61/06/09/491610609.db2.gz BDTPLIJRPYCTJT-MRXNPFEDSA-N 2 1 362.540 0.348 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389621 491618218 /nfs/dbraw/zinc/61/82/18/491618218.db2.gz IASGOKKUVZYPSI-ZIAGYGMSSA-N 2 1 363.487 0.060 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389621 491618222 /nfs/dbraw/zinc/61/82/22/491618222.db2.gz IASGOKKUVZYPSI-ZIAGYGMSSA-N 2 1 363.487 0.060 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000568906557 491618561 /nfs/dbraw/zinc/61/85/61/491618561.db2.gz DZFIQFYEQODPBZ-GOSISDBHSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568906557 491618565 /nfs/dbraw/zinc/61/85/65/491618565.db2.gz DZFIQFYEQODPBZ-GOSISDBHSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)NC1C[NH2+]C1 ZINC000568963747 491622431 /nfs/dbraw/zinc/62/24/31/491622431.db2.gz NBSIQXIAHGHGEU-UHFFFAOYSA-N 2 1 371.441 0.000 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000576599934 491628388 /nfs/dbraw/zinc/62/83/88/491628388.db2.gz QATSXGNYXZBCOP-AEFFLSMTSA-N 2 1 360.502 0.734 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000576599935 491628692 /nfs/dbraw/zinc/62/86/92/491628692.db2.gz QATSXGNYXZBCOP-FUHWJXTLSA-N 2 1 360.502 0.734 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000569049133 491630242 /nfs/dbraw/zinc/63/02/42/491630242.db2.gz YDXYKDCLFMDDNT-DLBZAZTESA-N 2 1 366.506 0.081 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000577540766 491631022 /nfs/dbraw/zinc/63/10/22/491631022.db2.gz NZBBQDVEHJUOBO-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576687306 491635886 /nfs/dbraw/zinc/63/58/86/491635886.db2.gz NPHFXSAZPSYAQL-IAGOWNOFSA-N 2 1 365.522 0.714 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652020 491640120 /nfs/dbraw/zinc/64/01/20/491640120.db2.gz YYXVDGPLDJYKDP-GVDBMIGSSA-N 2 1 360.433 0.561 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000577652020 491640122 /nfs/dbraw/zinc/64/01/22/491640122.db2.gz YYXVDGPLDJYKDP-GVDBMIGSSA-N 2 1 360.433 0.561 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000576729939 491640525 /nfs/dbraw/zinc/64/05/25/491640525.db2.gz MYLKIZYDBZKTRM-NVXWUHKLSA-N 2 1 359.474 0.380 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569204498 491641394 /nfs/dbraw/zinc/64/13/94/491641394.db2.gz UABYBODYHJZHKM-IAQYHMDHSA-N 2 1 368.840 0.676 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000576790057 491645080 /nfs/dbraw/zinc/64/50/80/491645080.db2.gz RRLFXWQTCNYXLT-HNNXBMFYSA-N 2 1 366.506 0.322 20 0 FCADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CC(=O)NC1=O ZINC000569256543 491646922 /nfs/dbraw/zinc/64/69/22/491646922.db2.gz JHNPLPSWDNLKKC-INIZCTEOSA-N 2 1 364.490 0.446 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@@H]2CC[C@@H](C)C2)C1 ZINC000562038153 491650300 /nfs/dbraw/zinc/65/03/00/491650300.db2.gz LLDABTCZUGDYGA-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)C1 ZINC000562038153 491650301 /nfs/dbraw/zinc/65/03/01/491650301.db2.gz LLDABTCZUGDYGA-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)C1 ZINC000562038153 491650302 /nfs/dbraw/zinc/65/03/02/491650302.db2.gz LLDABTCZUGDYGA-KZNAEPCWSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965461 491661195 /nfs/dbraw/zinc/66/11/95/491661195.db2.gz GTTDZWSHOHLOTP-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000576965461 491661196 /nfs/dbraw/zinc/66/11/96/491661196.db2.gz GTTDZWSHOHLOTP-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569457896 491662646 /nfs/dbraw/zinc/66/26/46/491662646.db2.gz QIFOLFIQRAHGQL-SFHVURJKSA-N 2 1 374.485 0.332 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)N1CC[NH2+]CC1 ZINC000576989221 491662681 /nfs/dbraw/zinc/66/26/81/491662681.db2.gz VHKFZSCTAYRKQV-MRXNPFEDSA-N 2 1 372.535 0.135 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217244 491672304 /nfs/dbraw/zinc/67/23/04/491672304.db2.gz LFCGQMGOOXVPRZ-MJGOQNOKSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000578217244 491672305 /nfs/dbraw/zinc/67/23/05/491672305.db2.gz LFCGQMGOOXVPRZ-MJGOQNOKSA-N 2 1 353.507 0.983 20 0 FCADMP COC(=O)c1ccc(N2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC000578359726 491675625 /nfs/dbraw/zinc/67/56/25/491675625.db2.gz ZTGOMPSCKKXOFY-MRXNPFEDSA-N 2 1 374.485 0.806 20 0 FCADMP COC(=O)c1ccc(N2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC000578359725 491675692 /nfs/dbraw/zinc/67/56/92/491675692.db2.gz ZTGOMPSCKKXOFY-INIZCTEOSA-N 2 1 374.485 0.806 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 ZINC000578608309 491680529 /nfs/dbraw/zinc/68/05/29/491680529.db2.gz NEGFHNPUTYOUDP-ZWKOTPCHSA-N 2 1 373.501 0.895 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000578617110 491680837 /nfs/dbraw/zinc/68/08/37/491680837.db2.gz XBNMNXIRGWWVTE-BZUAXINKSA-N 2 1 359.474 0.819 20 0 FCADMP C[N@@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCSC1 ZINC000578734057 491683217 /nfs/dbraw/zinc/68/32/17/491683217.db2.gz HTYKMZZVELXAAO-OAHLLOKOSA-N 2 1 356.536 0.532 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C[C@@H]1[NH3+] ZINC000578738655 491683294 /nfs/dbraw/zinc/68/32/94/491683294.db2.gz JTFDGMJRVSZZOQ-MMOPVJDHSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000578914709 491687003 /nfs/dbraw/zinc/68/70/03/491687003.db2.gz JKRGXWKIGQRJRC-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000579045308 491689940 /nfs/dbraw/zinc/68/99/40/491689940.db2.gz NSPHYYSHKCSTPN-AWEZNQCLSA-N 2 1 373.461 0.267 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000579265570 491694470 /nfs/dbraw/zinc/69/44/70/491694470.db2.gz DIYBJCRJCASCFH-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000579265570 491694471 /nfs/dbraw/zinc/69/44/71/491694471.db2.gz DIYBJCRJCASCFH-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000579265570 491694472 /nfs/dbraw/zinc/69/44/72/491694472.db2.gz DIYBJCRJCASCFH-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579693074 491703051 /nfs/dbraw/zinc/70/30/51/491703051.db2.gz XEYVVOCSXGIOSF-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579693074 491703052 /nfs/dbraw/zinc/70/30/52/491703052.db2.gz XEYVVOCSXGIOSF-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855915 491706911 /nfs/dbraw/zinc/70/69/11/491706911.db2.gz HEYNJGDMMLGCCQ-ROUUACIJSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584793676 491714862 /nfs/dbraw/zinc/71/48/62/491714862.db2.gz RLQLKXCOAZFZOH-BGTYHANMSA-N 2 1 371.485 0.460 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587100108 491734859 /nfs/dbraw/zinc/73/48/59/491734859.db2.gz OUUYWZDMRJSAAG-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000587100108 491734860 /nfs/dbraw/zinc/73/48/60/491734860.db2.gz OUUYWZDMRJSAAG-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000587100108 491734861 /nfs/dbraw/zinc/73/48/61/491734861.db2.gz OUUYWZDMRJSAAG-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP O=c1c2c(ncn1Cc1ccc(C[NH+]3CCOCC3)cc1)CC[NH2+]CC2 ZINC000580712383 491742722 /nfs/dbraw/zinc/74/27/22/491742722.db2.gz CMRRAGNHCPHOLP-UHFFFAOYSA-N 2 1 354.454 0.812 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000581205579 491764187 /nfs/dbraw/zinc/76/41/87/491764187.db2.gz CBLCBIVRPJGYFY-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000581445861 491773491 /nfs/dbraw/zinc/77/34/91/491773491.db2.gz SKFRLFUVDZPBOW-CABCVRRESA-N 2 1 356.511 0.163 20 0 FCADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000590751317 491785368 /nfs/dbraw/zinc/78/53/68/491785368.db2.gz PCCLRRRSOBWZJV-OAGGEKHMSA-N 2 1 355.479 0.391 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@H+]1C1CC1 ZINC000581747634 491785405 /nfs/dbraw/zinc/78/54/05/491785405.db2.gz SGSIWOJQWDHGTM-XHSDSOJGSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747634 491785407 /nfs/dbraw/zinc/78/54/07/491785407.db2.gz SGSIWOJQWDHGTM-XHSDSOJGSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747634 491785410 /nfs/dbraw/zinc/78/54/10/491785410.db2.gz SGSIWOJQWDHGTM-XHSDSOJGSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581999687 491793654 /nfs/dbraw/zinc/79/36/54/491793654.db2.gz CPMCJRTYTUFJAX-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)S(C)(=O)=O ZINC000582122845 491798846 /nfs/dbraw/zinc/79/88/46/491798846.db2.gz GVTQKLFVFAVPKU-HRCADAONSA-N 2 1 374.551 0.222 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000582295374 491806125 /nfs/dbraw/zinc/80/61/25/491806125.db2.gz DUWHLHYWNVGDFD-HOTGVXAUSA-N 2 1 372.469 0.828 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000582312684 491807180 /nfs/dbraw/zinc/80/71/80/491807180.db2.gz GZLUQTTWXWBJNP-QGZVFWFLSA-N 2 1 358.486 0.759 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000591561356 491808365 /nfs/dbraw/zinc/80/83/65/491808365.db2.gz HXRCFSBSCCNNRV-INIZCTEOSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@@H](C)O1 ZINC000582354430 491808537 /nfs/dbraw/zinc/80/85/37/491808537.db2.gz KCRUKRDMUOGQGR-INMHGKMJSA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)CC1 ZINC000582549126 491817390 /nfs/dbraw/zinc/81/73/90/491817390.db2.gz MCZWSTQNHQOGEN-HNNXBMFYSA-N 2 1 367.538 0.023 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)Cc2ccccc2)C1 ZINC000582681548 491822496 /nfs/dbraw/zinc/82/24/96/491822496.db2.gz AYCDAYGQZAASJW-GBESFXJTSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000582681548 491822497 /nfs/dbraw/zinc/82/24/97/491822497.db2.gz AYCDAYGQZAASJW-GBESFXJTSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000582681548 491822498 /nfs/dbraw/zinc/82/24/98/491822498.db2.gz AYCDAYGQZAASJW-GBESFXJTSA-N 2 1 372.513 0.734 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC000582739147 491824694 /nfs/dbraw/zinc/82/46/94/491824694.db2.gz SLMCBLPQFVTFOP-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC000582739147 491824696 /nfs/dbraw/zinc/82/46/96/491824696.db2.gz SLMCBLPQFVTFOP-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC000582739147 491824697 /nfs/dbraw/zinc/82/46/97/491824697.db2.gz SLMCBLPQFVTFOP-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000582779606 491826229 /nfs/dbraw/zinc/82/62/29/491826229.db2.gz DNJRJBAWFXYZSY-XDNAFOTISA-N 2 1 356.470 0.492 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000582899372 491831405 /nfs/dbraw/zinc/83/14/05/491831405.db2.gz ZDHIASWJHYMSLE-FQEVSTJZSA-N 2 1 372.469 0.972 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000583312705 491842127 /nfs/dbraw/zinc/84/21/27/491842127.db2.gz JAEMYCKLIFQAGD-UIBIWLFHSA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000583371990 491843407 /nfs/dbraw/zinc/84/34/07/491843407.db2.gz WTIBLHPRWSSTIB-WBVHZDCISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1=CC[NH+](C)CC1 ZINC000583467616 491845495 /nfs/dbraw/zinc/84/54/95/491845495.db2.gz JLLVJOMCZZQANO-DOTOQJQBSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)C1=CC[N@H+](C)CC1 ZINC000583467616 491845496 /nfs/dbraw/zinc/84/54/96/491845496.db2.gz JLLVJOMCZZQANO-DOTOQJQBSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000583467616 491845497 /nfs/dbraw/zinc/84/54/97/491845497.db2.gz JLLVJOMCZZQANO-DOTOQJQBSA-N 2 1 362.518 0.943 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000583771514 491851771 /nfs/dbraw/zinc/85/17/71/491851771.db2.gz KUVZSTLYULEWDO-BRWVUGGUSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000583771514 491851772 /nfs/dbraw/zinc/85/17/72/491851772.db2.gz KUVZSTLYULEWDO-BRWVUGGUSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000583771514 491851773 /nfs/dbraw/zinc/85/17/73/491851773.db2.gz KUVZSTLYULEWDO-BRWVUGGUSA-N 2 1 356.511 0.440 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000584355981 491863689 /nfs/dbraw/zinc/86/36/89/491863689.db2.gz UEGVAJNOWGKCTA-PMACEKPBSA-N 2 1 372.513 0.702 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000611676368 491867628 /nfs/dbraw/zinc/86/76/28/491867628.db2.gz UTCXPAYEXPVOOW-ZOBUZTSGSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000611676368 491867630 /nfs/dbraw/zinc/86/76/30/491867630.db2.gz UTCXPAYEXPVOOW-ZOBUZTSGSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000611676368 491867632 /nfs/dbraw/zinc/86/76/32/491867632.db2.gz UTCXPAYEXPVOOW-ZOBUZTSGSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611676368 491867634 /nfs/dbraw/zinc/86/76/34/491867634.db2.gz UTCXPAYEXPVOOW-ZOBUZTSGSA-N 2 1 366.506 0.345 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881722 491871011 /nfs/dbraw/zinc/87/10/11/491871011.db2.gz GWKYYCKEALDNJF-GVDBMIGSSA-N 2 1 357.458 0.064 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594988523 491875402 /nfs/dbraw/zinc/87/54/02/491875402.db2.gz OLCTZJJBZCHXQR-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594988523 491875404 /nfs/dbraw/zinc/87/54/04/491875404.db2.gz OLCTZJJBZCHXQR-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594988523 491875406 /nfs/dbraw/zinc/87/54/06/491875406.db2.gz OLCTZJJBZCHXQR-DLBZAZTESA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)CCOCC[NH3+] ZINC000600734572 491879755 /nfs/dbraw/zinc/87/97/55/491879755.db2.gz HJKZKMRIHYKHSP-GFCCVEGCSA-N 2 1 366.418 0.402 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000601327837 491904303 /nfs/dbraw/zinc/90/43/03/491904303.db2.gz ATFGHSPKKXGERJ-MRXNPFEDSA-N 2 1 353.511 0.711 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612444576 491917971 /nfs/dbraw/zinc/91/79/71/491917971.db2.gz NRFKEZJKGLGXJS-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000612485282 491924806 /nfs/dbraw/zinc/92/48/06/491924806.db2.gz HWPLVZJVJDECQJ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000612777505 491950094 /nfs/dbraw/zinc/95/00/94/491950094.db2.gz KNFSUTVRRYHDEO-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612776356 491950331 /nfs/dbraw/zinc/95/03/31/491950331.db2.gz KFXFELJQNITOQS-KRWDZBQOSA-N 2 1 350.507 0.825 20 0 FCADMP COC(=O)c1cn(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000601962764 491955937 /nfs/dbraw/zinc/95/59/37/491955937.db2.gz APFKEBXLXNQKNR-GOSISDBHSA-N 2 1 359.430 0.291 20 0 FCADMP COC(=O)c1cn(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000601962764 491955940 /nfs/dbraw/zinc/95/59/40/491955940.db2.gz APFKEBXLXNQKNR-GOSISDBHSA-N 2 1 359.430 0.291 20 0 FCADMP [NH3+]CCSCc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000603205252 492019437 /nfs/dbraw/zinc/01/94/37/492019437.db2.gz WGLRFENFHHOOEE-UHFFFAOYSA-N 2 1 374.514 0.814 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000597430358 492037871 /nfs/dbraw/zinc/03/78/71/492037871.db2.gz KCIVEHUZGHYGFC-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604634309 492065193 /nfs/dbraw/zinc/06/51/93/492065193.db2.gz PQLDBGLBCUVZGK-QGZVFWFLSA-N 2 1 353.511 0.178 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000604639970 492065478 /nfs/dbraw/zinc/06/54/78/492065478.db2.gz DBZKWEVYJOQOSE-FGTMMUONSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604639970 492065481 /nfs/dbraw/zinc/06/54/81/492065481.db2.gz DBZKWEVYJOQOSE-FGTMMUONSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604639970 492065483 /nfs/dbraw/zinc/06/54/83/492065483.db2.gz DBZKWEVYJOQOSE-FGTMMUONSA-N 2 1 365.522 0.319 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604646636 492065638 /nfs/dbraw/zinc/06/56/38/492065638.db2.gz CRQPPDOAWMVGOJ-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604646636 492065639 /nfs/dbraw/zinc/06/56/39/492065639.db2.gz CRQPPDOAWMVGOJ-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604646636 492065640 /nfs/dbraw/zinc/06/56/40/492065640.db2.gz CRQPPDOAWMVGOJ-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000598268732 492091930 /nfs/dbraw/zinc/09/19/30/492091930.db2.gz MDHHJJYSMZHYNB-UHFFFAOYSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691938 492126515 /nfs/dbraw/zinc/12/65/15/492126515.db2.gz DOUJGETYRIGDFE-AEFFLSMTSA-N 2 1 367.538 0.422 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000606705024 492127687 /nfs/dbraw/zinc/12/76/87/492127687.db2.gz QSIKATYQYZWJQA-QGZVFWFLSA-N 2 1 354.495 0.461 20 0 FCADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479310 492177388 /nfs/dbraw/zinc/17/73/88/492177388.db2.gz PQRHMTUHTZVREY-XLIONFOSSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479310 492177391 /nfs/dbraw/zinc/17/73/91/492177391.db2.gz PQRHMTUHTZVREY-XLIONFOSSA-N 2 1 360.502 0.376 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000608690874 492187126 /nfs/dbraw/zinc/18/71/26/492187126.db2.gz OXAVQUTWGURNNA-MRXNPFEDSA-N 2 1 365.522 0.844 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618308246 492222004 /nfs/dbraw/zinc/22/20/04/492222004.db2.gz CLOUPBFLXPAGEA-SFHVURJKSA-N 2 1 360.502 0.987 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627428670 492291828 /nfs/dbraw/zinc/29/18/28/492291828.db2.gz LKFCOTDINPSOGP-FRRDWIJNSA-N 2 1 364.412 0.573 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785238 492304950 /nfs/dbraw/zinc/30/49/50/492304950.db2.gz ZHUWFWFLMMLVKY-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641785238 492304954 /nfs/dbraw/zinc/30/49/54/492304954.db2.gz ZHUWFWFLMMLVKY-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641785238 492304958 /nfs/dbraw/zinc/30/49/58/492304958.db2.gz ZHUWFWFLMMLVKY-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785220 492305489 /nfs/dbraw/zinc/30/54/89/492305489.db2.gz YUMIIQGBSVMXNS-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000641785220 492305494 /nfs/dbraw/zinc/30/54/94/492305494.db2.gz YUMIIQGBSVMXNS-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000641785220 492305498 /nfs/dbraw/zinc/30/54/98/492305498.db2.gz YUMIIQGBSVMXNS-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP CCOC1CC(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000641819903 492309246 /nfs/dbraw/zinc/30/92/46/492309246.db2.gz IRRZFZQAXRUTTR-UHFFFAOYSA-N 2 1 368.522 0.992 20 0 FCADMP CCOC1CC(CNC(=O)N2CCN(C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000641819903 492309249 /nfs/dbraw/zinc/30/92/49/492309249.db2.gz IRRZFZQAXRUTTR-UHFFFAOYSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCN2)[C@H](C)CN1Cc1ccccc1 ZINC000627473968 492311375 /nfs/dbraw/zinc/31/13/75/492311375.db2.gz ARIRBWOBARQSQH-JFIYKMOQSA-N 2 1 374.485 0.212 20 0 FCADMP CC[C@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000620478559 492312716 /nfs/dbraw/zinc/31/27/16/492312716.db2.gz XYKDXCBFUBSAIT-KZNAEPCWSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000620478559 492312720 /nfs/dbraw/zinc/31/27/20/492312720.db2.gz XYKDXCBFUBSAIT-KZNAEPCWSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478559 492312725 /nfs/dbraw/zinc/31/27/25/492312725.db2.gz XYKDXCBFUBSAIT-KZNAEPCWSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478559 492312731 /nfs/dbraw/zinc/31/27/31/492312731.db2.gz XYKDXCBFUBSAIT-KZNAEPCWSA-N 2 1 353.507 0.933 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568542 492315814 /nfs/dbraw/zinc/31/58/14/492315814.db2.gz OBERSZNSEFQQIP-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568542 492315816 /nfs/dbraw/zinc/31/58/16/492315816.db2.gz OBERSZNSEFQQIP-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841189 492318654 /nfs/dbraw/zinc/31/86/54/492318654.db2.gz NWLCOWCXSYZNPN-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841189 492318659 /nfs/dbraw/zinc/31/86/59/492318659.db2.gz NWLCOWCXSYZNPN-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C[C@@H]21 ZINC000641841189 492318662 /nfs/dbraw/zinc/31/86/62/492318662.db2.gz NWLCOWCXSYZNPN-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000647593229 492329951 /nfs/dbraw/zinc/32/99/51/492329951.db2.gz FWADMQPJFWPWMX-HUUCEWRRSA-N 2 1 354.495 0.380 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000642190954 492339937 /nfs/dbraw/zinc/33/99/37/492339937.db2.gz WVQJYRWJEUFPNP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@@H]1[NH3+] ZINC000642222676 492342449 /nfs/dbraw/zinc/34/24/49/492342449.db2.gz SYXPNAHJAOIUJN-PMPSAXMXSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000642253990 492345961 /nfs/dbraw/zinc/34/59/61/492345961.db2.gz VGJFDMLKZLBTFB-BPQIPLTHSA-N 2 1 358.486 0.820 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647708089 492349618 /nfs/dbraw/zinc/34/96/18/492349618.db2.gz IOHASEXWWSKYEG-HOJAQTOUSA-N 2 1 373.497 0.852 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647708089 492349624 /nfs/dbraw/zinc/34/96/24/492349624.db2.gz IOHASEXWWSKYEG-HOJAQTOUSA-N 2 1 373.497 0.852 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642330580 492352155 /nfs/dbraw/zinc/35/21/55/492352155.db2.gz XMEWSCHSTRGIKX-QEOTZNIISA-N 2 1 350.507 0.679 20 0 FCADMP CN1C(=O)N[C@]2(CCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357326 /nfs/dbraw/zinc/35/73/26/492357326.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@]2(CC[N@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357329 /nfs/dbraw/zinc/35/73/29/492357329.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@]2(CC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357330 /nfs/dbraw/zinc/35/73/30/492357330.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 1 358.442 0.250 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437827 492357650 /nfs/dbraw/zinc/35/76/50/492357650.db2.gz CHZONMKWGHDVQK-RISCZKNCSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437827 492357655 /nfs/dbraw/zinc/35/76/55/492357655.db2.gz CHZONMKWGHDVQK-RISCZKNCSA-N 2 1 372.391 0.859 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCNC(=O)C[C@H]3C)CC2)CC1 ZINC000654831866 492357895 /nfs/dbraw/zinc/35/78/95/492357895.db2.gz OPROFEFTORYNPX-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437825 492358032 /nfs/dbraw/zinc/35/80/32/492358032.db2.gz CHZONMKWGHDVQK-FZMZJTMJSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437825 492358036 /nfs/dbraw/zinc/35/80/36/492358036.db2.gz CHZONMKWGHDVQK-FZMZJTMJSA-N 2 1 372.391 0.859 20 0 FCADMP CNC(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634699702 492360865 /nfs/dbraw/zinc/36/08/65/492360865.db2.gz NYQMAIQALKVYHT-HXUWFJFHSA-N 2 1 360.502 0.423 20 0 FCADMP CNC(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634699702 492360869 /nfs/dbraw/zinc/36/08/69/492360869.db2.gz NYQMAIQALKVYHT-HXUWFJFHSA-N 2 1 360.502 0.423 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)CC1 ZINC000654867216 492365365 /nfs/dbraw/zinc/36/53/65/492365365.db2.gz KAGCFVOFJBYBST-KRWDZBQOSA-N 2 1 363.506 0.419 20 0 FCADMP COc1ccc(CNC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834758 492368988 /nfs/dbraw/zinc/36/89/88/492368988.db2.gz PCKDBZSQIATKAH-UHFFFAOYSA-N 2 1 350.463 0.157 20 0 FCADMP COc1ccc(CNC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834758 492368992 /nfs/dbraw/zinc/36/89/92/492368992.db2.gz PCKDBZSQIATKAH-UHFFFAOYSA-N 2 1 350.463 0.157 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640705 492369288 /nfs/dbraw/zinc/36/92/88/492369288.db2.gz KLICKWHVAFIYSK-GUDVDZBRSA-N 2 1 370.497 0.739 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1cccc2cccnc21 ZINC000647836237 492370066 /nfs/dbraw/zinc/37/00/66/492370066.db2.gz SILKNSRGQSUTJU-UHFFFAOYSA-N 2 1 355.486 0.731 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1cccc2cccnc21 ZINC000647836237 492370072 /nfs/dbraw/zinc/37/00/72/492370072.db2.gz SILKNSRGQSUTJU-UHFFFAOYSA-N 2 1 355.486 0.731 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000642648081 492370315 /nfs/dbraw/zinc/37/03/15/492370315.db2.gz MERNRWWDLXVEAQ-BHYGNILZSA-N 2 1 366.506 0.474 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000642693003 492374215 /nfs/dbraw/zinc/37/42/15/492374215.db2.gz JCYYGXFNZLWUGO-SUMDDJOVSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000642693003 492374220 /nfs/dbraw/zinc/37/42/20/492374220.db2.gz JCYYGXFNZLWUGO-SUMDDJOVSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000642693166 492374429 /nfs/dbraw/zinc/37/44/29/492374429.db2.gz ZCPTXEKLAXXFHY-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000642693166 492374433 /nfs/dbraw/zinc/37/44/33/492374433.db2.gz ZCPTXEKLAXXFHY-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642699639 492375935 /nfs/dbraw/zinc/37/59/35/492375935.db2.gz DMQXSWORQAGIPB-CRAIPNDOSA-N 2 1 358.486 0.881 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642723178 492380163 /nfs/dbraw/zinc/38/01/63/492380163.db2.gz VAOXCGIVINOPKA-SJLPKXTDSA-N 2 1 356.470 0.371 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642723178 492380165 /nfs/dbraw/zinc/38/01/65/492380165.db2.gz VAOXCGIVINOPKA-SJLPKXTDSA-N 2 1 356.470 0.371 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000642728576 492380863 /nfs/dbraw/zinc/38/08/63/492380863.db2.gz IOACIUDQKIFTOG-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728576 492380867 /nfs/dbraw/zinc/38/08/67/492380867.db2.gz IOACIUDQKIFTOG-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000654945765 492382476 /nfs/dbraw/zinc/38/24/76/492382476.db2.gz DRDVNGVPEHBARI-HZPDHXFCSA-N 2 1 362.478 0.516 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642732921 492382700 /nfs/dbraw/zinc/38/27/00/492382700.db2.gz CLJZKHDRVBCNGP-PKOBYXMFSA-N 2 1 370.497 0.761 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000654947962 492383712 /nfs/dbraw/zinc/38/37/12/492383712.db2.gz XDHIXLRJUIBUCS-GJZGRUSLSA-N 2 1 362.478 0.516 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750873 492384890 /nfs/dbraw/zinc/38/48/90/492384890.db2.gz HDXFYEBYGVEPOY-VVLHAWIVSA-N 2 1 368.522 0.435 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642759555 492386550 /nfs/dbraw/zinc/38/65/50/492386550.db2.gz PYQHUJWZPDXYQT-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759535 492386600 /nfs/dbraw/zinc/38/66/00/492386600.db2.gz LLLDPJOXRNLFHO-DOTOQJQBSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642759553 492387096 /nfs/dbraw/zinc/38/70/96/492387096.db2.gz OLTITRPAYABPDB-YSHGAJCASA-N 2 1 370.497 0.834 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000642778696 492389133 /nfs/dbraw/zinc/38/91/33/492389133.db2.gz CZMSWQAFDWBXJL-WBVHZDCISA-N 2 1 371.485 0.817 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975856 492389382 /nfs/dbraw/zinc/38/93/82/492389382.db2.gz GXWNFOMBLPUSIA-DLBZAZTESA-N 2 1 350.507 0.825 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975859 492389665 /nfs/dbraw/zinc/38/96/65/492389665.db2.gz GXWNFOMBLPUSIA-SJORKVTESA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976278 492390052 /nfs/dbraw/zinc/39/00/52/492390052.db2.gz MJKJITQVJHLHTI-LTIDMASMSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976278 492390056 /nfs/dbraw/zinc/39/00/56/492390056.db2.gz MJKJITQVJHLHTI-LTIDMASMSA-N 2 1 371.547 0.732 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977331 492390611 /nfs/dbraw/zinc/39/06/11/492390611.db2.gz AAABHPVMUQXVSN-LSDHHAIUSA-N 2 1 355.508 0.410 20 0 FCADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000648034367 492394575 /nfs/dbraw/zinc/39/45/75/492394575.db2.gz QRJNTQGKQKEWLM-INIZCTEOSA-N 2 1 351.495 0.984 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000642798906 492395107 /nfs/dbraw/zinc/39/51/07/492395107.db2.gz RUJFFOVZCHZTFV-BVBHFADKSA-N 2 1 370.497 0.976 20 0 FCADMP CCN1CC[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000655064295 492397809 /nfs/dbraw/zinc/39/78/09/492397809.db2.gz UQYKDFKZTSQHAY-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000642902140 492399212 /nfs/dbraw/zinc/39/92/12/492399212.db2.gz LCFKLKGPOQSBTC-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902297 492399265 /nfs/dbraw/zinc/39/92/65/492399265.db2.gz OYJYOMUMBGLMNP-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC000621699676 492405599 /nfs/dbraw/zinc/40/55/99/492405599.db2.gz AJJVCTGUEAWTAP-MDZRGWNJSA-N 2 1 364.490 0.040 20 0 FCADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150505 492408599 /nfs/dbraw/zinc/40/85/99/492408599.db2.gz CYFZIGFJBOJDKM-QGZVFWFLSA-N 2 1 368.522 0.437 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642974863 492409326 /nfs/dbraw/zinc/40/93/26/492409326.db2.gz CPFHLPBQTSOXHZ-INIZCTEOSA-N 2 1 367.538 0.247 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642974863 492409328 /nfs/dbraw/zinc/40/93/28/492409328.db2.gz CPFHLPBQTSOXHZ-INIZCTEOSA-N 2 1 367.538 0.247 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642988412 492411842 /nfs/dbraw/zinc/41/18/42/492411842.db2.gz WINUTCNHSBKQOZ-RDJZCZTQSA-N 2 1 367.538 0.247 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642988412 492411845 /nfs/dbraw/zinc/41/18/45/492411845.db2.gz WINUTCNHSBKQOZ-RDJZCZTQSA-N 2 1 367.538 0.247 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643014739 492414494 /nfs/dbraw/zinc/41/44/94/492414494.db2.gz UPXBEKZFXFQWDE-OGJJZOIMSA-N 2 1 374.529 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621844081 492424285 /nfs/dbraw/zinc/42/42/85/492424285.db2.gz OVIJUPADANVFBZ-LAVAIGHBSA-N 2 1 370.497 0.963 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843809 492424555 /nfs/dbraw/zinc/42/45/55/492424555.db2.gz LXTSJZMVMWMXCM-CYJAXWMASA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000635389506 492442235 /nfs/dbraw/zinc/44/22/35/492442235.db2.gz PIDJNQUVQJZHAL-OAHLLOKOSA-N 2 1 362.474 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028516 492443592 /nfs/dbraw/zinc/44/35/92/492443592.db2.gz RHKKFJUWRCPXHN-SPYBWZPUSA-N 2 1 364.490 0.038 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622031797 492445748 /nfs/dbraw/zinc/44/57/48/492445748.db2.gz UGVFZJBQSXEAAV-BEFAXECRSA-N 2 1 362.474 0.900 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000655508296 492450381 /nfs/dbraw/zinc/45/03/81/492450381.db2.gz MBTFMDPAQMWXIA-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000643419445 492454484 /nfs/dbraw/zinc/45/44/84/492454484.db2.gz IXVSCHULAMRAEH-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000643419445 492454485 /nfs/dbraw/zinc/45/44/85/492454485.db2.gz IXVSCHULAMRAEH-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000643419445 492454487 /nfs/dbraw/zinc/45/44/87/492454487.db2.gz IXVSCHULAMRAEH-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556358 492455778 /nfs/dbraw/zinc/45/57/78/492455778.db2.gz MADAKBSDRYUGQM-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556358 492455782 /nfs/dbraw/zinc/45/57/82/492455782.db2.gz MADAKBSDRYUGQM-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556358 492455788 /nfs/dbraw/zinc/45/57/88/492455788.db2.gz MADAKBSDRYUGQM-MSOLQXFVSA-N 2 1 367.538 0.424 20 0 FCADMP COC[C@@](C)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648785587 492456407 /nfs/dbraw/zinc/45/64/07/492456407.db2.gz TYHFQTBBHCKGIK-DINLJIAVSA-N 2 1 368.522 0.304 20 0 FCADMP COC[C@@](C)(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648785587 492456412 /nfs/dbraw/zinc/45/64/12/492456412.db2.gz TYHFQTBBHCKGIK-DINLJIAVSA-N 2 1 368.522 0.304 20 0 FCADMP COC[C@@](C)(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648785587 492456416 /nfs/dbraw/zinc/45/64/16/492456416.db2.gz TYHFQTBBHCKGIK-DINLJIAVSA-N 2 1 368.522 0.304 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635561707 492472493 /nfs/dbraw/zinc/47/24/93/492472493.db2.gz UGDKLUBLMUQLOD-UHFFFAOYSA-N 2 1 354.539 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC(C)C2)CC[NH+]1C ZINC000648923519 492475708 /nfs/dbraw/zinc/47/57/08/492475708.db2.gz GDBHTBSAJXIWEP-BRSBDYLESA-N 2 1 364.534 0.974 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000643484608 492477958 /nfs/dbraw/zinc/47/79/58/492477958.db2.gz GVSFPBNAELXJSA-SFHVURJKSA-N 2 1 374.485 0.215 20 0 FCADMP CS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655712343 492478422 /nfs/dbraw/zinc/47/84/22/492478422.db2.gz IXUWQSBXTBRYDC-KRWDZBQOSA-N 2 1 359.536 0.891 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643494171 492481463 /nfs/dbraw/zinc/48/14/63/492481463.db2.gz NHNJDWONXMFXKY-ZBFHGGJFSA-N 2 1 354.495 0.140 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643494156 492481982 /nfs/dbraw/zinc/48/19/82/492481982.db2.gz MDPXARJHTATZNP-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)CC1 ZINC000635659958 492487794 /nfs/dbraw/zinc/48/77/94/492487794.db2.gz BMGZYSCJRLWPIU-SJLPKXTDSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643531721 492491380 /nfs/dbraw/zinc/49/13/80/492491380.db2.gz ARWBCGPVYHTOTA-NXHRZFHOSA-N 2 1 358.486 0.915 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643539526 492493851 /nfs/dbraw/zinc/49/38/51/492493851.db2.gz TVPRLSHUQRJLFE-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP CC1([NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000643541435 492494754 /nfs/dbraw/zinc/49/47/54/492494754.db2.gz KQBRFVKKNSUKEV-HDICACEKSA-N 2 1 370.497 0.917 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643544150 492495310 /nfs/dbraw/zinc/49/53/10/492495310.db2.gz RMAZXDWZFGIZIB-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643545302 492495984 /nfs/dbraw/zinc/49/59/84/492495984.db2.gz XKTCRTDNKNHFSY-XDNAFOTISA-N 2 1 362.518 0.920 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CCOC ZINC000643545009 492496150 /nfs/dbraw/zinc/49/61/50/492496150.db2.gz LOJICYVIPVMYRH-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CCOC ZINC000643545009 492496153 /nfs/dbraw/zinc/49/61/53/492496153.db2.gz LOJICYVIPVMYRH-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549774 492496688 /nfs/dbraw/zinc/49/66/88/492496688.db2.gz OTVPMSLWVOBUOV-KBAYOESNSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@@H]21 ZINC000643549677 492497097 /nfs/dbraw/zinc/49/70/97/492497097.db2.gz BALZTOZFWYSCRN-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[C@H]2C1 ZINC000643550003 492497641 /nfs/dbraw/zinc/49/76/41/492497641.db2.gz QOCYEYDYTVLERY-OWSLCNJRSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[C@H]2C1 ZINC000643550002 492497766 /nfs/dbraw/zinc/49/77/66/492497766.db2.gz QOCYEYDYTVLERY-BDXSIMOUSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000655973384 492500060 /nfs/dbraw/zinc/50/00/60/492500060.db2.gz FQZALKKMVMRDGA-GVDBMIGSSA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000655973384 492500064 /nfs/dbraw/zinc/50/00/64/492500064.db2.gz FQZALKKMVMRDGA-GVDBMIGSSA-N 2 1 363.506 0.609 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643590211 492501766 /nfs/dbraw/zinc/50/17/66/492501766.db2.gz FOHDVAJEHXTZRL-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643590211 492501770 /nfs/dbraw/zinc/50/17/70/492501770.db2.gz FOHDVAJEHXTZRL-GBESFXJTSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2)C1 ZINC000643593472 492502977 /nfs/dbraw/zinc/50/29/77/492502977.db2.gz AULSNSXTYRPASS-LQWHRVPQSA-N 2 1 370.497 0.742 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594269 492503615 /nfs/dbraw/zinc/50/36/15/492503615.db2.gz XLUWQXLQONKZFC-FJIDUMEYSA-N 2 1 362.518 0.920 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000649271258 492516263 /nfs/dbraw/zinc/51/62/63/492516263.db2.gz CPAGJFOZFFAAOF-LJQANCHMSA-N 2 1 359.518 0.339 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022775 492520152 /nfs/dbraw/zinc/52/01/52/492520152.db2.gz LVOQNTMOKWNGEL-XQLPTFJDSA-N 2 1 352.479 0.349 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)C[C@H]1C ZINC000649340364 492539032 /nfs/dbraw/zinc/53/90/32/492539032.db2.gz UEDYAMQKRZKOFJ-WBTNSWJXSA-N 2 1 364.494 0.311 20 0 FCADMP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352143 492545827 /nfs/dbraw/zinc/54/58/27/492545827.db2.gz WAEAABAWGLQUTJ-UOIKSKOESA-N 2 1 355.442 0.842 20 0 FCADMP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000649412837 492552794 /nfs/dbraw/zinc/55/27/94/492552794.db2.gz AYMVZHGGNBGUQQ-QGZVFWFLSA-N 2 1 366.531 0.500 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H](CO)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000649473520 492555805 /nfs/dbraw/zinc/55/58/05/492555805.db2.gz YBKALPSYNVWEQK-NNXHMXCWSA-N 2 1 368.522 0.325 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000649473520 492555811 /nfs/dbraw/zinc/55/58/11/492555811.db2.gz YBKALPSYNVWEQK-NNXHMXCWSA-N 2 1 368.522 0.325 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000649473520 492555817 /nfs/dbraw/zinc/55/58/17/492555817.db2.gz YBKALPSYNVWEQK-NNXHMXCWSA-N 2 1 368.522 0.325 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000656299371 492577797 /nfs/dbraw/zinc/57/77/97/492577797.db2.gz RGVHJKHMBUNZJP-RKVPGOIHSA-N 2 1 368.547 0.673 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000636317823 492581832 /nfs/dbraw/zinc/58/18/32/492581832.db2.gz MDGJTMBZZRSOGM-SFHVURJKSA-N 2 1 373.501 0.526 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000636317823 492581836 /nfs/dbraw/zinc/58/18/36/492581836.db2.gz MDGJTMBZZRSOGM-SFHVURJKSA-N 2 1 373.501 0.526 20 0 FCADMP CC[NH+](CC)CCOc1ccc(CNc2nc(N)nc(N)[nH+]2)cc1OC ZINC000623873589 492603375 /nfs/dbraw/zinc/60/33/75/492603375.db2.gz MAIFZELQNBLHGE-UHFFFAOYSA-N 2 1 361.450 0.460 20 0 FCADMP CC(C)[NH+](CCNC(=O)C1CCN(c2nc(N)nc(N)[nH+]2)CC1)C(C)C ZINC000623895319 492604690 /nfs/dbraw/zinc/60/46/90/492604690.db2.gz NPNKNJQVQCACRP-UHFFFAOYSA-N 2 1 364.498 0.148 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656353976 492608815 /nfs/dbraw/zinc/60/88/15/492608815.db2.gz ADUFPUJHPWUVBU-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656357784 492611790 /nfs/dbraw/zinc/61/17/90/492611790.db2.gz HEPXOBAUTCEEMQ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656357784 492611794 /nfs/dbraw/zinc/61/17/94/492611794.db2.gz HEPXOBAUTCEEMQ-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359333 492613734 /nfs/dbraw/zinc/61/37/34/492613734.db2.gz OUEBTLFRKWJBCN-ROUUACIJSA-N 2 1 371.485 0.863 20 0 FCADMP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cn2)CCO1 ZINC000636540513 492615518 /nfs/dbraw/zinc/61/55/18/492615518.db2.gz VVJMODZFOVQLOE-HOCLYGCPSA-N 2 1 363.462 0.173 20 0 FCADMP C[C@H]1CN(c2ccc(CNC(=O)NCCN3CC[C@H](O)C3)cn2)CCO1 ZINC000636540513 492615521 /nfs/dbraw/zinc/61/55/21/492615521.db2.gz VVJMODZFOVQLOE-HOCLYGCPSA-N 2 1 363.462 0.173 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)C1 ZINC000656449064 492622831 /nfs/dbraw/zinc/62/28/31/492622831.db2.gz XNPPIYNEAAZAEI-QGZVFWFLSA-N 2 1 364.494 0.251 20 0 FCADMP Nc1nc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000624212644 492627968 /nfs/dbraw/zinc/62/79/68/492627968.db2.gz QQKLQBCNOMABNV-HNNXBMFYSA-N 2 1 354.462 0.093 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561737 492645357 /nfs/dbraw/zinc/64/53/57/492645357.db2.gz ZCZORRHYDHXAQN-PMACEKPBSA-N 2 1 374.529 0.930 20 0 FCADMP C[N@@H+](CCOCC[NH3+])Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000629574883 492652471 /nfs/dbraw/zinc/65/24/71/492652471.db2.gz JZGWPBDQVDUZFS-UHFFFAOYSA-N 2 1 355.236 0.864 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581627 492656436 /nfs/dbraw/zinc/65/64/36/492656436.db2.gz DTNRPEVXCGXBJP-LJQANCHMSA-N 2 1 360.502 0.872 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H]3[N@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC000644227801 492673576 /nfs/dbraw/zinc/67/35/76/492673576.db2.gz UJPVBCHESYDOQR-KURKYZTESA-N 2 1 373.501 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000629813637 492686319 /nfs/dbraw/zinc/68/63/19/492686319.db2.gz LCIWQGDTQWLYIT-RNJOBUHISA-N 2 1 364.412 0.523 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000629813637 492686320 /nfs/dbraw/zinc/68/63/20/492686320.db2.gz LCIWQGDTQWLYIT-RNJOBUHISA-N 2 1 364.412 0.523 20 0 FCADMP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651021540 492695124 /nfs/dbraw/zinc/69/51/24/492695124.db2.gz HBDYWQIINSUIMZ-RBUKOAKNSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651021540 492695126 /nfs/dbraw/zinc/69/51/26/492695126.db2.gz HBDYWQIINSUIMZ-RBUKOAKNSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651021540 492695128 /nfs/dbraw/zinc/69/51/28/492695128.db2.gz HBDYWQIINSUIMZ-RBUKOAKNSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651021540 492695130 /nfs/dbraw/zinc/69/51/30/492695130.db2.gz HBDYWQIINSUIMZ-RBUKOAKNSA-N 2 1 374.485 0.214 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000636795560 492695916 /nfs/dbraw/zinc/69/59/16/492695916.db2.gz MMZJDVJBOARRHR-IKGGRYGDSA-N 2 1 356.511 0.489 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000636950426 492735500 /nfs/dbraw/zinc/73/55/00/492735500.db2.gz UWYUVYLHJPYLCS-IGKNDFSCSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000636950426 492735501 /nfs/dbraw/zinc/73/55/01/492735501.db2.gz UWYUVYLHJPYLCS-IGKNDFSCSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000636950426 492735505 /nfs/dbraw/zinc/73/55/05/492735505.db2.gz UWYUVYLHJPYLCS-IGKNDFSCSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000636950426 492735506 /nfs/dbraw/zinc/73/55/06/492735506.db2.gz UWYUVYLHJPYLCS-IGKNDFSCSA-N 2 1 368.522 0.989 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644582800 492787347 /nfs/dbraw/zinc/78/73/47/492787347.db2.gz CYSWCOQRNKUVQZ-HLIPFELVSA-N 2 1 374.485 0.789 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644582800 492787348 /nfs/dbraw/zinc/78/73/48/492787348.db2.gz CYSWCOQRNKUVQZ-HLIPFELVSA-N 2 1 374.485 0.789 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000644648632 492796295 /nfs/dbraw/zinc/79/62/95/492796295.db2.gz UKSRJSMNEFWVCQ-JFIYKMOQSA-N 2 1 366.506 0.582 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637260501 492800911 /nfs/dbraw/zinc/80/09/11/492800911.db2.gz JYRDSHGCSGTPIY-QGZVFWFLSA-N 2 1 354.495 0.243 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870639 492806458 /nfs/dbraw/zinc/80/64/58/492806458.db2.gz OWCDFNYTTSKBDC-QGZVFWFLSA-N 2 1 373.501 0.921 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]21 ZINC000657870155 492806809 /nfs/dbraw/zinc/80/68/09/492806809.db2.gz DXFWTCHAISJBSO-AEFFLSMTSA-N 2 1 371.485 0.673 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631277203 492808332 /nfs/dbraw/zinc/80/83/32/492808332.db2.gz WPNPCTBSGGRMDK-UHFFFAOYSA-N 3 1 350.511 0.543 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631277203 492808335 /nfs/dbraw/zinc/80/83/35/492808335.db2.gz WPNPCTBSGGRMDK-UHFFFAOYSA-N 3 1 350.511 0.543 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[NH2+]C3CC3)CC2)CC1 ZINC000637363268 492812331 /nfs/dbraw/zinc/81/23/31/492812331.db2.gz UIYSZMHABSEBCY-UHFFFAOYSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373476 492813526 /nfs/dbraw/zinc/81/35/26/492813526.db2.gz QCQWUEJKMVYKEZ-OAGGEKHMSA-N 2 1 351.495 0.594 20 0 FCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375702 492814634 /nfs/dbraw/zinc/81/46/34/492814634.db2.gz PONZNZGRBDHYSO-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375702 492814637 /nfs/dbraw/zinc/81/46/37/492814637.db2.gz PONZNZGRBDHYSO-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375702 492814642 /nfs/dbraw/zinc/81/46/42/492814642.db2.gz PONZNZGRBDHYSO-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000637376084 492816472 /nfs/dbraw/zinc/81/64/72/492816472.db2.gz FPEMFPRMFDLVKZ-INIZCTEOSA-N 2 1 351.495 0.596 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000651845315 492833683 /nfs/dbraw/zinc/83/36/83/492833683.db2.gz IWYBKYUSDOYBDC-HNNXBMFYSA-N 2 1 350.467 0.324 20 0 FCADMP COCC[NH+]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637669043 492856616 /nfs/dbraw/zinc/85/66/16/492856616.db2.gz RZRXZNHRHVXBKG-UHFFFAOYSA-N 2 1 350.467 0.946 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000631847011 492862182 /nfs/dbraw/zinc/86/21/82/492862182.db2.gz MKJSMOBAUPYUPJ-JKSUJJTKSA-N 2 1 358.490 0.925 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000631847011 492862185 /nfs/dbraw/zinc/86/21/85/492862185.db2.gz MKJSMOBAUPYUPJ-JKSUJJTKSA-N 2 1 358.490 0.925 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631851032 492863626 /nfs/dbraw/zinc/86/36/26/492863626.db2.gz MXXDFDHEEYRTKH-MRXNPFEDSA-N 2 1 372.535 0.216 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631851032 492863630 /nfs/dbraw/zinc/86/36/30/492863630.db2.gz MXXDFDHEEYRTKH-MRXNPFEDSA-N 2 1 372.535 0.216 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000637819850 492870194 /nfs/dbraw/zinc/87/01/94/492870194.db2.gz RQTVOQPUZYCZGX-MSOLQXFVSA-N 2 1 358.486 0.822 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652144802 492886083 /nfs/dbraw/zinc/88/60/83/492886083.db2.gz UBSJXBDYSXOFSV-FCEWJHQRSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000638064912 492900262 /nfs/dbraw/zinc/90/02/62/492900262.db2.gz QHFBRTFVGFPQNC-MAUKXSAKSA-N 2 1 362.474 0.199 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000631988590 492904858 /nfs/dbraw/zinc/90/48/58/492904858.db2.gz HOPKEYRCRKZJFL-UHFFFAOYSA-N 2 1 359.536 0.846 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000638129795 492912840 /nfs/dbraw/zinc/91/28/40/492912840.db2.gz FCXHTWITGJPSLJ-INIZCTEOSA-N 2 1 362.474 0.300 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000638129795 492912842 /nfs/dbraw/zinc/91/28/42/492912842.db2.gz FCXHTWITGJPSLJ-INIZCTEOSA-N 2 1 362.474 0.300 20 0 FCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652347736 492913355 /nfs/dbraw/zinc/91/33/55/492913355.db2.gz KKCWOXHPBRVJJH-SOUVJXGZSA-N 2 1 352.479 0.925 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652347674 492913397 /nfs/dbraw/zinc/91/33/97/492913397.db2.gz JHGMVRDZTNKOSJ-DKIMLUQUSA-N 2 1 366.506 0.284 20 0 FCADMP O=C(CN1CC[NH2+]CC1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638137995 492915202 /nfs/dbraw/zinc/91/52/02/492915202.db2.gz SGTXOCFIKVBBOH-UHFFFAOYSA-N 2 1 359.518 0.216 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(N)nc3N)CC2)CC1 ZINC000638136054 492915630 /nfs/dbraw/zinc/91/56/30/492915630.db2.gz GGRNYOBATRYLPY-UHFFFAOYSA-N 2 1 361.538 0.930 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000652463672 492939855 /nfs/dbraw/zinc/93/98/55/492939855.db2.gz PPPLWIGDOKVCIT-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccnc2)CC1 ZINC000638786662 492978317 /nfs/dbraw/zinc/97/83/17/492978317.db2.gz UTUNZVFVMWBQQQ-UHFFFAOYSA-N 2 1 356.492 0.185 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836002 492981767 /nfs/dbraw/zinc/98/17/67/492981767.db2.gz PPMHQOKZLIDERA-WDYCEAGBSA-N 2 1 360.502 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652668488 492983131 /nfs/dbraw/zinc/98/31/31/492983131.db2.gz BNCOEJHQNPEDEW-OAHLLOKOSA-N 2 1 354.495 0.109 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645855223 492983174 /nfs/dbraw/zinc/98/31/74/492983174.db2.gz RAFJZXRFMZRNGI-BBWFWOEESA-N 2 1 350.507 0.681 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903946 492985402 /nfs/dbraw/zinc/98/54/02/492985402.db2.gz JGDQJSSBMOPPAU-AEFFLSMTSA-N 2 1 369.473 0.817 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638902164 492985618 /nfs/dbraw/zinc/98/56/18/492985618.db2.gz BVBJXRJTXLVVNW-SRABZTEZSA-N 2 1 364.494 0.644 20 0 FCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925775 492988307 /nfs/dbraw/zinc/98/83/07/492988307.db2.gz QAAKHGUFRLLHCX-YJBOKZPZSA-N 2 1 373.501 0.833 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652696117 492992896 /nfs/dbraw/zinc/99/28/96/492992896.db2.gz GKAHNZOGHGZUAT-KSZLIROESA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652696117 492992897 /nfs/dbraw/zinc/99/28/97/492992897.db2.gz GKAHNZOGHGZUAT-KSZLIROESA-N 2 1 358.486 0.758 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978115 492995216 /nfs/dbraw/zinc/99/52/16/492995216.db2.gz SHHCDTZFGDAXDJ-AEFFLSMTSA-N 2 1 360.506 0.706 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978115 492995219 /nfs/dbraw/zinc/99/52/19/492995219.db2.gz SHHCDTZFGDAXDJ-AEFFLSMTSA-N 2 1 360.506 0.706 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723432 493003389 /nfs/dbraw/zinc/00/33/89/493003389.db2.gz AKBLUIFTFCAIBX-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725332 493004945 /nfs/dbraw/zinc/00/49/45/493004945.db2.gz DTHPCHWTHMFVQQ-UHFFFAOYSA-N 2 1 368.522 0.309 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652736309 493011950 /nfs/dbraw/zinc/01/19/50/493011950.db2.gz CTANOVZBGUTEEH-RXVVDRJESA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652736309 493011953 /nfs/dbraw/zinc/01/19/53/493011953.db2.gz CTANOVZBGUTEEH-RXVVDRJESA-N 2 1 370.497 0.584 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652736836 493012889 /nfs/dbraw/zinc/01/28/89/493012889.db2.gz QNXPVUUAMDOJMS-LJQANCHMSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652736836 493012894 /nfs/dbraw/zinc/01/28/94/493012894.db2.gz QNXPVUUAMDOJMS-LJQANCHMSA-N 2 1 372.513 0.830 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](C)CC1 ZINC000646107801 493013583 /nfs/dbraw/zinc/01/35/83/493013583.db2.gz BUTMWEJZDQTGIU-MSOLQXFVSA-N 2 1 362.522 0.809 20 0 FCADMP C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632543668 493025488 /nfs/dbraw/zinc/02/54/88/493025488.db2.gz JFYLDBSRTGUCKN-MRXNPFEDSA-N 2 1 359.536 0.987 20 0 FCADMP C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632543668 493025490 /nfs/dbraw/zinc/02/54/90/493025490.db2.gz JFYLDBSRTGUCKN-MRXNPFEDSA-N 2 1 359.536 0.987 20 0 FCADMP C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632543667 493025502 /nfs/dbraw/zinc/02/55/02/493025502.db2.gz JFYLDBSRTGUCKN-INIZCTEOSA-N 2 1 359.536 0.987 20 0 FCADMP C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632543667 493025506 /nfs/dbraw/zinc/02/55/06/493025506.db2.gz JFYLDBSRTGUCKN-INIZCTEOSA-N 2 1 359.536 0.987 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000632578838 493035928 /nfs/dbraw/zinc/03/59/28/493035928.db2.gz FTUFQUNYNQVZQK-SFHVURJKSA-N 2 1 372.579 0.665 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000658778978 493052498 /nfs/dbraw/zinc/05/24/98/493052498.db2.gz QONPMYUGKPDRFL-AWEZNQCLSA-N 2 1 362.478 0.689 20 0 FCADMP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851497 493056230 /nfs/dbraw/zinc/05/62/30/493056230.db2.gz MXDKEKGLHUIJGT-QUCCMNQESA-N 2 1 361.486 0.716 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115084 493073104 /nfs/dbraw/zinc/07/31/04/493073104.db2.gz CBHFQZBVPFIANI-DOTOQJQBSA-N 2 1 361.490 0.601 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124440 493074441 /nfs/dbraw/zinc/07/44/41/493074441.db2.gz YSSRBAZKOYZZDP-GJZGRUSLSA-N 2 1 353.536 0.432 20 0 FCADMP O=C(NCC1C[NH2+]C1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000640246453 493089819 /nfs/dbraw/zinc/08/98/19/493089819.db2.gz PMAMVBPLWMRRCT-LJQANCHMSA-N 2 1 357.502 0.808 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000627186826 493104642 /nfs/dbraw/zinc/10/46/42/493104642.db2.gz YWIRDSXKLKMYRW-CYBMUJFWSA-N 2 1 368.400 0.271 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000633026565 493105393 /nfs/dbraw/zinc/10/53/93/493105393.db2.gz GHSXVQGREUPHHX-JQFCIGGWSA-N 2 1 358.442 0.591 20 0 FCADMP C[C@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@H+](C2CCC2)C1 ZINC000627233322 493113978 /nfs/dbraw/zinc/11/39/78/493113978.db2.gz DVBIJUBAHKRXNT-PBHICJAKSA-N 2 1 361.494 0.828 20 0 FCADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627258115 493120713 /nfs/dbraw/zinc/12/07/13/493120713.db2.gz UVAIWANJZRLXJE-CEXWTWQISA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258115 493120716 /nfs/dbraw/zinc/12/07/16/493120716.db2.gz UVAIWANJZRLXJE-CEXWTWQISA-N 2 1 358.486 0.961 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000627258115 493120719 /nfs/dbraw/zinc/12/07/19/493120719.db2.gz UVAIWANJZRLXJE-CEXWTWQISA-N 2 1 358.486 0.961 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258986 493120980 /nfs/dbraw/zinc/12/09/80/493120980.db2.gz KHOVYLVIEOKUOO-NSHGMRRFSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258986 493120982 /nfs/dbraw/zinc/12/09/82/493120982.db2.gz KHOVYLVIEOKUOO-NSHGMRRFSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258986 493120986 /nfs/dbraw/zinc/12/09/86/493120986.db2.gz KHOVYLVIEOKUOO-NSHGMRRFSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633101276 493125122 /nfs/dbraw/zinc/12/51/22/493125122.db2.gz MHPMIJDLEALJKQ-QGFMHUBQSA-N 2 1 368.481 0.540 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)NCc3ccc(F)cc3)nn2)CC1 ZINC000640777924 493130446 /nfs/dbraw/zinc/13/04/46/493130446.db2.gz IOHUOCNFXXHVOU-UHFFFAOYSA-N 2 1 360.437 0.699 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000633115191 493131599 /nfs/dbraw/zinc/13/15/99/493131599.db2.gz HGZABHKKYDPKFY-ZIAGYGMSSA-N 2 1 350.488 0.383 20 0 FCADMP Cc1ccc(CNC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000640792519 493131984 /nfs/dbraw/zinc/13/19/84/493131984.db2.gz RROZEMJTVVUVAM-UHFFFAOYSA-N 2 1 356.474 0.869 20 0 FCADMP CC[NH2+]Cc1ccn(Cc2cn([C@H](C)C(=O)N3CC[NH+](CC)CC3)nn2)n1 ZINC000640829839 493133096 /nfs/dbraw/zinc/13/30/96/493133096.db2.gz GTUHIONNZHHQLN-OAHLLOKOSA-N 2 1 374.493 0.358 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000633117751 493133259 /nfs/dbraw/zinc/13/32/59/493133259.db2.gz FZMJRGKNUIBECO-BPQIPLTHSA-N 2 1 358.486 0.710 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117707 493133465 /nfs/dbraw/zinc/13/34/65/493133465.db2.gz FPQZIBCRMSTKAF-DZJNRPSUSA-N 2 1 356.470 0.667 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633149382 493136918 /nfs/dbraw/zinc/13/69/18/493136918.db2.gz XFWDPQMGMAWWQK-NJAFHUGGSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297118 493139271 /nfs/dbraw/zinc/13/92/71/493139271.db2.gz BRBVJCICURWENZ-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316226 493145287 /nfs/dbraw/zinc/14/52/87/493145287.db2.gz CMMWELBOTTWSRW-XFZGEKFBSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316226 493145290 /nfs/dbraw/zinc/14/52/90/493145290.db2.gz CMMWELBOTTWSRW-XFZGEKFBSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316226 493145293 /nfs/dbraw/zinc/14/52/93/493145293.db2.gz CMMWELBOTTWSRW-XFZGEKFBSA-N 2 1 360.502 0.338 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627343032 493163039 /nfs/dbraw/zinc/16/30/39/493163039.db2.gz WWNKELNPVTVDMZ-NXHRZFHOSA-N 2 1 374.485 0.118 20 0 FCADMP C[N@@H+](CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659430665 493173960 /nfs/dbraw/zinc/17/39/60/493173960.db2.gz HFPIYAUILAJBAE-UHFFFAOYSA-N 2 1 358.446 0.962 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000659433852 493176847 /nfs/dbraw/zinc/17/68/47/493176847.db2.gz GUZNGQMXYWBPPY-UHFFFAOYSA-N 2 1 370.457 0.889 20 0 FCADMP Cc1ccccc1OC[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641192473 493178348 /nfs/dbraw/zinc/17/83/48/493178348.db2.gz AAZOOBDEDDGJQJ-SFHVURJKSA-N 2 1 359.474 0.992 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659436818 493178450 /nfs/dbraw/zinc/17/84/50/493178450.db2.gz ZIENBEIYQGCWDS-ZDUSSCGKSA-N 2 1 350.467 0.952 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641214251 493182131 /nfs/dbraw/zinc/18/21/31/493182131.db2.gz AYXKDEIDZSNVQM-SFHVURJKSA-N 2 1 355.446 0.475 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000659456117 493183829 /nfs/dbraw/zinc/18/38/29/493183829.db2.gz HVPOXHJVSAIYHS-IKGGRYGDSA-N 2 1 353.511 0.162 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627392652 493199526 /nfs/dbraw/zinc/19/95/26/493199526.db2.gz BCJYJSAJGJJKSJ-QWHCGFSZSA-N 2 1 366.428 0.820 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627402215 493204091 /nfs/dbraw/zinc/20/40/91/493204091.db2.gz XRTYFMBVKSEZSU-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627402215 493204095 /nfs/dbraw/zinc/20/40/95/493204095.db2.gz XRTYFMBVKSEZSU-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666670330 493213268 /nfs/dbraw/zinc/21/32/68/493213268.db2.gz IRPPVVNDKDPEQI-KRWDZBQOSA-N 2 1 360.458 0.797 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589758 493217331 /nfs/dbraw/zinc/21/73/31/493217331.db2.gz BTXYQLCVBRUHNQ-IAGOWNOFSA-N 2 1 352.454 0.885 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659600612 493219328 /nfs/dbraw/zinc/21/93/28/493219328.db2.gz AYFBPWWXKIVFCR-CVEARBPZSA-N 2 1 365.522 0.890 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000666770451 493224609 /nfs/dbraw/zinc/22/46/09/493224609.db2.gz APVUZFUCYJTJKC-INIZCTEOSA-N 2 1 358.442 0.708 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CCOC ZINC000659631123 493225564 /nfs/dbraw/zinc/22/55/64/493225564.db2.gz RKYYDJQDDHKBNB-CQSZACIVSA-N 2 1 366.466 0.283 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000666796308 493228246 /nfs/dbraw/zinc/22/82/46/493228246.db2.gz NOEIXHBEPHZOKI-GOSISDBHSA-N 2 1 373.501 0.583 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000672695131 493234408 /nfs/dbraw/zinc/23/44/08/493234408.db2.gz JKYVLQUKEFIAOL-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979322 493245004 /nfs/dbraw/zinc/24/50/04/493245004.db2.gz TYBWCRACPFKBGF-TVFCKZIOSA-N 2 1 366.506 0.527 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC[N@H+]1C ZINC000659678412 493247320 /nfs/dbraw/zinc/24/73/20/493247320.db2.gz MDUHPLNMBXYWLB-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659682260 493248817 /nfs/dbraw/zinc/24/88/17/493248817.db2.gz IHIBTCSRICRLNC-GJZGRUSLSA-N 2 1 356.511 0.435 20 0 FCADMP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672788150 493250148 /nfs/dbraw/zinc/25/01/48/493250148.db2.gz MONMRZYGLCJWPR-QGZVFWFLSA-N 2 1 361.490 0.268 20 0 FCADMP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672788150 493250151 /nfs/dbraw/zinc/25/01/51/493250151.db2.gz MONMRZYGLCJWPR-QGZVFWFLSA-N 2 1 361.490 0.268 20 0 FCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000659692102 493256211 /nfs/dbraw/zinc/25/62/11/493256211.db2.gz PFWYDPFIGYVCAI-UHFFFAOYSA-N 2 1 362.474 0.331 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659699895 493259934 /nfs/dbraw/zinc/25/99/34/493259934.db2.gz XETPPUZUWXWVRQ-HOTGVXAUSA-N 2 1 361.490 0.037 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000659700919 493261541 /nfs/dbraw/zinc/26/15/41/493261541.db2.gz ASKKLNDZJVNRRB-QAPCUYQASA-N 2 1 362.518 0.991 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734234 493278031 /nfs/dbraw/zinc/27/80/31/493278031.db2.gz OARHYGGHTQNWIB-CQSZACIVSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734233 493278101 /nfs/dbraw/zinc/27/81/01/493278101.db2.gz OARHYGGHTQNWIB-AWEZNQCLSA-N 2 1 352.479 0.086 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659737955 493279839 /nfs/dbraw/zinc/27/98/39/493279839.db2.gz WRIBONMBNNXAQW-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659738447 493279851 /nfs/dbraw/zinc/27/98/51/493279851.db2.gz DUMYRVYEOXLAGP-QAETUUGQSA-N 2 1 366.506 0.332 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812646 493303087 /nfs/dbraw/zinc/30/30/87/493303087.db2.gz SIYYEHATPXBHSD-CABCVRRESA-N 2 1 362.540 0.189 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000673337282 493318694 /nfs/dbraw/zinc/31/86/94/493318694.db2.gz FTHUDGRYDILIHL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673337282 493318697 /nfs/dbraw/zinc/31/86/97/493318697.db2.gz FTHUDGRYDILIHL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673337282 493318702 /nfs/dbraw/zinc/31/87/02/493318702.db2.gz FTHUDGRYDILIHL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000660075157 493322222 /nfs/dbraw/zinc/32/22/22/493322222.db2.gz XACDSZGUJKXGTB-IPMKNSEASA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000660075157 493322224 /nfs/dbraw/zinc/32/22/24/493322224.db2.gz XACDSZGUJKXGTB-IPMKNSEASA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000660075157 493322226 /nfs/dbraw/zinc/32/22/26/493322226.db2.gz XACDSZGUJKXGTB-IPMKNSEASA-N 2 1 358.571 0.395 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673381435 493323944 /nfs/dbraw/zinc/32/39/44/493323944.db2.gz HRCZIIIHVNQBMG-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673381435 493323949 /nfs/dbraw/zinc/32/39/49/493323949.db2.gz HRCZIIIHVNQBMG-GJZGRUSLSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)n2)CC1 ZINC000683867671 493375866 /nfs/dbraw/zinc/37/58/66/493375866.db2.gz NZMNAQGCJANEHI-HNNXBMFYSA-N 2 1 374.489 0.689 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000660830057 493383598 /nfs/dbraw/zinc/38/35/98/493383598.db2.gz KUVQMGSWRBKQQK-FUHWJXTLSA-N 2 1 367.538 0.422 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860983 493388147 /nfs/dbraw/zinc/38/81/47/493388147.db2.gz ADGKJFVZBAFDQU-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660860983 493388149 /nfs/dbraw/zinc/38/81/49/493388149.db2.gz ADGKJFVZBAFDQU-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660860983 493388151 /nfs/dbraw/zinc/38/81/51/493388151.db2.gz ADGKJFVZBAFDQU-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864236 493388850 /nfs/dbraw/zinc/38/88/50/493388850.db2.gz LXWMCYOBNBFBOL-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660864236 493388853 /nfs/dbraw/zinc/38/88/53/493388853.db2.gz LXWMCYOBNBFBOL-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660864236 493388856 /nfs/dbraw/zinc/38/88/56/493388856.db2.gz LXWMCYOBNBFBOL-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864239 493388882 /nfs/dbraw/zinc/38/88/82/493388882.db2.gz LXWMCYOBNBFBOL-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660864239 493388883 /nfs/dbraw/zinc/38/88/83/493388883.db2.gz LXWMCYOBNBFBOL-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660864239 493388884 /nfs/dbraw/zinc/38/88/84/493388884.db2.gz LXWMCYOBNBFBOL-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864238 493389459 /nfs/dbraw/zinc/38/94/59/493389459.db2.gz LXWMCYOBNBFBOL-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660864238 493389460 /nfs/dbraw/zinc/38/94/60/493389460.db2.gz LXWMCYOBNBFBOL-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660864238 493389462 /nfs/dbraw/zinc/38/94/62/493389462.db2.gz LXWMCYOBNBFBOL-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827073 493416675 /nfs/dbraw/zinc/41/66/75/493416675.db2.gz PPTQCVCSJGFEAX-DOTOQJQBSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000668827115 493416761 /nfs/dbraw/zinc/41/67/61/493416761.db2.gz QJTLZMWKIKRVBX-RBUKOAKNSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000668827115 493416762 /nfs/dbraw/zinc/41/67/62/493416762.db2.gz QJTLZMWKIKRVBX-RBUKOAKNSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668827115 493416763 /nfs/dbraw/zinc/41/67/63/493416763.db2.gz QJTLZMWKIKRVBX-RBUKOAKNSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827115 493416765 /nfs/dbraw/zinc/41/67/65/493416765.db2.gz QJTLZMWKIKRVBX-RBUKOAKNSA-N 2 1 370.497 0.978 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000668839762 493418745 /nfs/dbraw/zinc/41/87/45/493418745.db2.gz CSWWHSDKQKPDHJ-KRWDZBQOSA-N 2 1 366.506 0.062 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000661271839 493422566 /nfs/dbraw/zinc/42/25/66/493422566.db2.gz BFOKOEPGIOIHOH-CVEARBPZSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000661271839 493422567 /nfs/dbraw/zinc/42/25/67/493422567.db2.gz BFOKOEPGIOIHOH-CVEARBPZSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@H+]1C ZINC000668892659 493429631 /nfs/dbraw/zinc/42/96/31/493429631.db2.gz IXUIRTNGNWYFBV-ZBFHGGJFSA-N 2 1 359.474 0.897 20 0 FCADMP O=C1CC[C@@H]2C[N@@H+](CCCC[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661600797 493450333 /nfs/dbraw/zinc/45/03/33/493450333.db2.gz JRWIJPISOOZMRL-TVFCKZIOSA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[NH+](CCCC[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661600797 493450336 /nfs/dbraw/zinc/45/03/36/493450336.db2.gz JRWIJPISOOZMRL-TVFCKZIOSA-N 2 1 362.518 0.968 20 0 FCADMP O=C1CC[C@@H]2C[NH+](CCCC[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661600797 493450337 /nfs/dbraw/zinc/45/03/37/493450337.db2.gz JRWIJPISOOZMRL-TVFCKZIOSA-N 2 1 362.518 0.968 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000669035199 493455826 /nfs/dbraw/zinc/45/58/26/493455826.db2.gz ALSRUUWFHIULEJ-XIRDDKMYSA-N 2 1 356.511 0.881 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000669035194 493456063 /nfs/dbraw/zinc/45/60/63/493456063.db2.gz ALSRUUWFHIULEJ-HYVNUMGLSA-N 2 1 356.511 0.881 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000669072083 493460717 /nfs/dbraw/zinc/46/07/17/493460717.db2.gz ZKCKNNSMKARKCY-SFHVURJKSA-N 2 1 372.513 0.802 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000685177002 493462553 /nfs/dbraw/zinc/46/25/53/493462553.db2.gz SPEWBAUKMRQWGF-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000685177002 493462555 /nfs/dbraw/zinc/46/25/55/493462555.db2.gz SPEWBAUKMRQWGF-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675189988 493472894 /nfs/dbraw/zinc/47/28/94/493472894.db2.gz FXUKRCWFJJWTAT-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306595 493473859 /nfs/dbraw/zinc/47/38/59/493473859.db2.gz GXJSTRIOCWUWLQ-RHSMWYFYSA-N 2 1 357.458 0.329 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685340840 493480267 /nfs/dbraw/zinc/48/02/67/493480267.db2.gz GXWXXWYZOOWXGO-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340840 493480268 /nfs/dbraw/zinc/48/02/68/493480268.db2.gz GXWXXWYZOOWXGO-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCN2CCOCC2)CC2CC2)CC1 ZINC000661978159 493480352 /nfs/dbraw/zinc/48/03/52/493480352.db2.gz HSNYSINBRGUSPK-UHFFFAOYSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341570 493480416 /nfs/dbraw/zinc/48/04/16/493480416.db2.gz GTJBWQVUFRVODD-LVQVYYBASA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341570 493480417 /nfs/dbraw/zinc/48/04/17/493480417.db2.gz GTJBWQVUFRVODD-LVQVYYBASA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000685341570 493480418 /nfs/dbraw/zinc/48/04/18/493480418.db2.gz GTJBWQVUFRVODD-LVQVYYBASA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000685341570 493480421 /nfs/dbraw/zinc/48/04/21/493480421.db2.gz GTJBWQVUFRVODD-LVQVYYBASA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342105 493481649 /nfs/dbraw/zinc/48/16/49/493481649.db2.gz WOLDLPDAKGVWOT-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342105 493481651 /nfs/dbraw/zinc/48/16/51/493481651.db2.gz WOLDLPDAKGVWOT-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342105 493481652 /nfs/dbraw/zinc/48/16/52/493481652.db2.gz WOLDLPDAKGVWOT-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342105 493481654 /nfs/dbraw/zinc/48/16/54/493481654.db2.gz WOLDLPDAKGVWOT-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000662221621 493497215 /nfs/dbraw/zinc/49/72/15/493497215.db2.gz BGZLOGJQEANVOV-OBMJPTGESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@H](O)C[N@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000662221621 493497216 /nfs/dbraw/zinc/49/72/16/493497216.db2.gz BGZLOGJQEANVOV-OBMJPTGESA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@H](O)C[N@@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000662221621 493497219 /nfs/dbraw/zinc/49/72/19/493497219.db2.gz BGZLOGJQEANVOV-OBMJPTGESA-N 2 1 368.566 0.291 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000662271808 493501760 /nfs/dbraw/zinc/50/17/60/493501760.db2.gz JIYRBRCLGLUCGN-OAHLLOKOSA-N 2 1 368.503 0.414 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000662271808 493501762 /nfs/dbraw/zinc/50/17/62/493501762.db2.gz JIYRBRCLGLUCGN-OAHLLOKOSA-N 2 1 368.503 0.414 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669444090 493504311 /nfs/dbraw/zinc/50/43/11/493504311.db2.gz YOIJXFYDSFVNSS-PMPSAXMXSA-N 2 1 351.495 0.323 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC[NH2+]C3CC3)c2)C1 ZINC000669470028 493504996 /nfs/dbraw/zinc/50/49/96/493504996.db2.gz YAGIMZRCWIUZJN-QGZVFWFLSA-N 2 1 373.501 0.935 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486422 493506257 /nfs/dbraw/zinc/50/62/57/493506257.db2.gz DPJUTPIWCJLJTO-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)c2cn(CC[NH3+])nn2)c2cccs2)CC1 ZINC000662348456 493508627 /nfs/dbraw/zinc/50/86/27/493508627.db2.gz RVHXXXHPQKUKTK-CQSZACIVSA-N 2 1 363.491 0.017 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000662382883 493511149 /nfs/dbraw/zinc/51/11/49/493511149.db2.gz CYGSERJGQYHXJK-GOSISDBHSA-N 2 1 371.489 0.345 20 0 FCADMP CN1CC[N@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000662382883 493511151 /nfs/dbraw/zinc/51/11/51/493511151.db2.gz CYGSERJGQYHXJK-GOSISDBHSA-N 2 1 371.489 0.345 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000662382883 493511152 /nfs/dbraw/zinc/51/11/52/493511152.db2.gz CYGSERJGQYHXJK-GOSISDBHSA-N 2 1 371.489 0.345 20 0 FCADMP Cc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662377654 493511347 /nfs/dbraw/zinc/51/13/47/493511347.db2.gz LXXQKRMOILJFAL-KRWDZBQOSA-N 2 1 354.458 0.909 20 0 FCADMP Cc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662377654 493511348 /nfs/dbraw/zinc/51/13/48/493511348.db2.gz LXXQKRMOILJFAL-KRWDZBQOSA-N 2 1 354.458 0.909 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662387870 493511952 /nfs/dbraw/zinc/51/19/52/493511952.db2.gz MVILDFSOOJBIPK-UHFFFAOYSA-N 2 1 371.489 0.304 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662412028 493514300 /nfs/dbraw/zinc/51/43/00/493514300.db2.gz HANAAMRCQZBVST-CQSZACIVSA-N 2 1 355.280 0.813 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000662528992 493523706 /nfs/dbraw/zinc/52/37/06/493523706.db2.gz KULXNZCKIMPGND-YUELXQCFSA-N 2 1 350.467 0.038 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@H+]1C[C@@H](C)O ZINC000662528992 493523707 /nfs/dbraw/zinc/52/37/07/493523707.db2.gz KULXNZCKIMPGND-YUELXQCFSA-N 2 1 350.467 0.038 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704660 493533014 /nfs/dbraw/zinc/53/30/14/493533014.db2.gz JOAPTDCTAOVTAH-BXUZGUMPSA-N 2 1 350.385 0.232 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662722707 493534919 /nfs/dbraw/zinc/53/49/19/493534919.db2.gz HYGDOVPVXQOKTB-HUUCEWRRSA-N 2 1 350.467 0.385 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662722707 493534921 /nfs/dbraw/zinc/53/49/21/493534921.db2.gz HYGDOVPVXQOKTB-HUUCEWRRSA-N 2 1 350.467 0.385 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721066 493534924 /nfs/dbraw/zinc/53/49/24/493534924.db2.gz PUAZULUPNFUFMI-RBUKOAKNSA-N 2 1 360.502 0.626 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc2)CC1 ZINC000662753533 493538316 /nfs/dbraw/zinc/53/83/16/493538316.db2.gz SCONCGSEWOUIET-SFHVURJKSA-N 2 1 370.457 0.246 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662755495 493539185 /nfs/dbraw/zinc/53/91/85/493539185.db2.gz CFOJIKNKILHBEW-OALUTQOASA-N 2 1 360.502 0.804 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757737 493539228 /nfs/dbraw/zinc/53/92/28/493539228.db2.gz LZPQDPYRTXQDCY-OALUTQOASA-N 2 1 360.502 0.804 20 0 FCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000662758574 493539844 /nfs/dbraw/zinc/53/98/44/493539844.db2.gz QLKDMABSXXJBSW-RHSMWYFYSA-N 2 1 373.457 0.740 20 0 FCADMP CC[C@@H]([NH2+]C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000662787456 493541949 /nfs/dbraw/zinc/54/19/49/493541949.db2.gz AEGYWQWDXLJKNN-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@H+]1CCC[C@H](CN(C)C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1c1cnn(C)c1 ZINC000662863514 493547895 /nfs/dbraw/zinc/54/78/95/493547895.db2.gz HMIRUJTUUNPRRF-KBAYOESNSA-N 2 1 363.506 0.888 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)[C@H]2C1 ZINC000662944605 493558428 /nfs/dbraw/zinc/55/84/28/493558428.db2.gz NXTJHVIDKKERLI-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662954353 493560346 /nfs/dbraw/zinc/56/03/46/493560346.db2.gz UTAYGGGRKWRIDC-AEFFLSMTSA-N 2 1 358.486 0.582 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662962501 493561348 /nfs/dbraw/zinc/56/13/48/493561348.db2.gz JVEWPECAJBHEAC-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662962499 493561472 /nfs/dbraw/zinc/56/14/72/493561472.db2.gz JVEWPECAJBHEAC-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000670432820 493566212 /nfs/dbraw/zinc/56/62/12/493566212.db2.gz JBSNKWCPVDCXER-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000670432820 493566214 /nfs/dbraw/zinc/56/62/14/493566214.db2.gz JBSNKWCPVDCXER-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000670432820 493566215 /nfs/dbraw/zinc/56/62/15/493566215.db2.gz JBSNKWCPVDCXER-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670435849 493567037 /nfs/dbraw/zinc/56/70/37/493567037.db2.gz CQHSOKFMYZMVKQ-MRXNPFEDSA-N 2 1 359.474 0.325 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000670481954 493573317 /nfs/dbraw/zinc/57/33/17/493573317.db2.gz UJTOOTDUAFBLPN-GXTWGEPZSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670481954 493573318 /nfs/dbraw/zinc/57/33/18/493573318.db2.gz UJTOOTDUAFBLPN-GXTWGEPZSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670509736 493576532 /nfs/dbraw/zinc/57/65/32/493576532.db2.gz BUDYCBQFXYKREU-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670509736 493576534 /nfs/dbraw/zinc/57/65/34/493576534.db2.gz BUDYCBQFXYKREU-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670509735 493576634 /nfs/dbraw/zinc/57/66/34/493576634.db2.gz BUDYCBQFXYKREU-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670509735 493576635 /nfs/dbraw/zinc/57/66/35/493576635.db2.gz BUDYCBQFXYKREU-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000663434954 493589123 /nfs/dbraw/zinc/58/91/23/493589123.db2.gz HGQWLAGQIOFWQT-CQSZACIVSA-N 2 1 353.467 0.544 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479683 493591255 /nfs/dbraw/zinc/59/12/55/493591255.db2.gz JTIYGVZADOMUOF-MSOLQXFVSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479683 493591258 /nfs/dbraw/zinc/59/12/58/493591258.db2.gz JTIYGVZADOMUOF-MSOLQXFVSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663479683 493591259 /nfs/dbraw/zinc/59/12/59/493591259.db2.gz JTIYGVZADOMUOF-MSOLQXFVSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000670805040 493598515 /nfs/dbraw/zinc/59/85/15/493598515.db2.gz WWYDPSPLVBGFNK-GOEBONIOSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000670805040 493598517 /nfs/dbraw/zinc/59/85/17/493598517.db2.gz WWYDPSPLVBGFNK-GOEBONIOSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000670805039 493598681 /nfs/dbraw/zinc/59/86/81/493598681.db2.gz WWYDPSPLVBGFNK-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000670805039 493598684 /nfs/dbraw/zinc/59/86/84/493598684.db2.gz WWYDPSPLVBGFNK-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670877847 493608526 /nfs/dbraw/zinc/60/85/26/493608526.db2.gz IDPOFUNEXOGDBS-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000670984970 493620528 /nfs/dbraw/zinc/62/05/28/493620528.db2.gz BHSIHPQBQQZPJD-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000670984970 493620530 /nfs/dbraw/zinc/62/05/30/493620530.db2.gz BHSIHPQBQQZPJD-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000670984970 493620532 /nfs/dbraw/zinc/62/05/32/493620532.db2.gz BHSIHPQBQQZPJD-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000671033537 493625223 /nfs/dbraw/zinc/62/52/23/493625223.db2.gz XFUMZLIAWFXJHV-IKGGRYGDSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000671033537 493625225 /nfs/dbraw/zinc/62/52/25/493625225.db2.gz XFUMZLIAWFXJHV-IKGGRYGDSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000671033537 493625228 /nfs/dbraw/zinc/62/52/28/493625228.db2.gz XFUMZLIAWFXJHV-IKGGRYGDSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671033537 493625230 /nfs/dbraw/zinc/62/52/30/493625230.db2.gz XFUMZLIAWFXJHV-IKGGRYGDSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071266 493629146 /nfs/dbraw/zinc/62/91/46/493629146.db2.gz SLJYFOODRRUUFM-KEYYUXOJSA-N 2 1 354.520 0.283 20 0 FCADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000671091337 493631877 /nfs/dbraw/zinc/63/18/77/493631877.db2.gz SDPZCNSJEKJBIX-WMLDXEAASA-N 2 1 362.474 0.200 20 0 FCADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671091337 493631880 /nfs/dbraw/zinc/63/18/80/493631880.db2.gz SDPZCNSJEKJBIX-WMLDXEAASA-N 2 1 362.474 0.200 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000671091509 493632092 /nfs/dbraw/zinc/63/20/92/493632092.db2.gz NSGOTABJCAOSIQ-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664066075 493633923 /nfs/dbraw/zinc/63/39/23/493633923.db2.gz QYADGDIJTYUILP-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664066075 493633925 /nfs/dbraw/zinc/63/39/25/493633925.db2.gz QYADGDIJTYUILP-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664066075 493633926 /nfs/dbraw/zinc/63/39/26/493633926.db2.gz QYADGDIJTYUILP-SJORKVTESA-N 2 1 354.495 0.338 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671105918 493634997 /nfs/dbraw/zinc/63/49/97/493634997.db2.gz OTNVBNDSQCECTF-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671105918 493634998 /nfs/dbraw/zinc/63/49/98/493634998.db2.gz OTNVBNDSQCECTF-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671105918 493634999 /nfs/dbraw/zinc/63/49/99/493634999.db2.gz OTNVBNDSQCECTF-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671365591 493660931 /nfs/dbraw/zinc/66/09/31/493660931.db2.gz AMEFNEKZNSCOLY-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671365591 493660932 /nfs/dbraw/zinc/66/09/32/493660932.db2.gz AMEFNEKZNSCOLY-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671407014 493667430 /nfs/dbraw/zinc/66/74/30/493667430.db2.gz SGLIJDDHCUYKJP-NNXHMXCWSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671407014 493667431 /nfs/dbraw/zinc/66/74/31/493667431.db2.gz SGLIJDDHCUYKJP-NNXHMXCWSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671407014 493667432 /nfs/dbraw/zinc/66/74/32/493667432.db2.gz SGLIJDDHCUYKJP-NNXHMXCWSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671407014 493667434 /nfs/dbraw/zinc/66/74/34/493667434.db2.gz SGLIJDDHCUYKJP-NNXHMXCWSA-N 2 1 368.522 0.304 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380481 493677935 /nfs/dbraw/zinc/67/79/35/493677935.db2.gz IPBFHJRMKHRZRW-BRWVUGGUSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380481 493677936 /nfs/dbraw/zinc/67/79/36/493677936.db2.gz IPBFHJRMKHRZRW-BRWVUGGUSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380481 493677938 /nfs/dbraw/zinc/67/79/38/493677938.db2.gz IPBFHJRMKHRZRW-BRWVUGGUSA-N 2 1 365.522 0.700 20 0 FCADMP CC(CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C[NH+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778685 493683049 /nfs/dbraw/zinc/68/30/49/493683049.db2.gz SEHDZUUCBURFCU-FGYAAKKASA-N 2 1 370.582 0.396 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000679507295 493684169 /nfs/dbraw/zinc/68/41/69/493684169.db2.gz ZHTGMUGERANRHV-HNNXBMFYSA-N 2 1 354.414 0.903 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000679904228 493700166 /nfs/dbraw/zinc/70/01/66/493700166.db2.gz CELABTSTHVYGCK-OSYLJGHBSA-N 2 1 368.522 0.593 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000679904228 493700168 /nfs/dbraw/zinc/70/01/68/493700168.db2.gz CELABTSTHVYGCK-OSYLJGHBSA-N 2 1 368.522 0.593 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000679904228 493700170 /nfs/dbraw/zinc/70/01/70/493700170.db2.gz CELABTSTHVYGCK-OSYLJGHBSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000665112346 493700751 /nfs/dbraw/zinc/70/07/51/493700751.db2.gz URNKPZNINAQMSJ-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000665112346 493700752 /nfs/dbraw/zinc/70/07/52/493700752.db2.gz URNKPZNINAQMSJ-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP C[NH+]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000679923945 493701717 /nfs/dbraw/zinc/70/17/17/493701717.db2.gz WHTIXRFQMGOMBE-LJQANCHMSA-N 2 1 360.502 0.507 20 0 FCADMP C[NH+]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000679923945 493701719 /nfs/dbraw/zinc/70/17/19/493701719.db2.gz WHTIXRFQMGOMBE-LJQANCHMSA-N 2 1 360.502 0.507 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671816094 493706857 /nfs/dbraw/zinc/70/68/57/493706857.db2.gz LELVLRDSZBLEFE-HUUCEWRRSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671816094 493706859 /nfs/dbraw/zinc/70/68/59/493706859.db2.gz LELVLRDSZBLEFE-HUUCEWRRSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671816094 493706862 /nfs/dbraw/zinc/70/68/62/493706862.db2.gz LELVLRDSZBLEFE-HUUCEWRRSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253213 493707112 /nfs/dbraw/zinc/70/71/12/493707112.db2.gz KMLUSJIWZXPNGG-XLMAVXFVSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253213 493707113 /nfs/dbraw/zinc/70/71/13/493707113.db2.gz KMLUSJIWZXPNGG-XLMAVXFVSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253213 493707115 /nfs/dbraw/zinc/70/71/15/493707115.db2.gz KMLUSJIWZXPNGG-XLMAVXFVSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253213 493707117 /nfs/dbraw/zinc/70/71/17/493707117.db2.gz KMLUSJIWZXPNGG-XLMAVXFVSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820097 493707523 /nfs/dbraw/zinc/70/75/23/493707523.db2.gz GNGZUBJZRIXRIR-DOTOQJQBSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820097 493707524 /nfs/dbraw/zinc/70/75/24/493707524.db2.gz GNGZUBJZRIXRIR-DOTOQJQBSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000671880934 493710576 /nfs/dbraw/zinc/71/05/76/493710576.db2.gz YFPKZIKIWZLHMX-IRXDYDNUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000671880934 493710577 /nfs/dbraw/zinc/71/05/77/493710577.db2.gz YFPKZIKIWZLHMX-IRXDYDNUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000671880934 493710578 /nfs/dbraw/zinc/71/05/78/493710578.db2.gz YFPKZIKIWZLHMX-IRXDYDNUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000671882859 493711040 /nfs/dbraw/zinc/71/10/40/493711040.db2.gz UNNLDHCYZSGNTP-XHSDSOJGSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000671882859 493711041 /nfs/dbraw/zinc/71/10/41/493711041.db2.gz UNNLDHCYZSGNTP-XHSDSOJGSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000671882859 493711042 /nfs/dbraw/zinc/71/10/42/493711042.db2.gz UNNLDHCYZSGNTP-XHSDSOJGSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000671882859 493711043 /nfs/dbraw/zinc/71/10/43/493711043.db2.gz UNNLDHCYZSGNTP-XHSDSOJGSA-N 2 1 354.495 0.058 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671941581 493716860 /nfs/dbraw/zinc/71/68/60/493716860.db2.gz GCSBXWYUNBEIQD-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671941581 493716862 /nfs/dbraw/zinc/71/68/62/493716862.db2.gz GCSBXWYUNBEIQD-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680507982 493720821 /nfs/dbraw/zinc/72/08/21/493720821.db2.gz DUVRYLQFPPJMLG-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680507982 493720824 /nfs/dbraw/zinc/72/08/24/493720824.db2.gz DUVRYLQFPPJMLG-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000672015388 493725376 /nfs/dbraw/zinc/72/53/76/493725376.db2.gz VVMMKXQMCVXHEZ-HLLBOEOZSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000672015388 493725379 /nfs/dbraw/zinc/72/53/79/493725379.db2.gz VVMMKXQMCVXHEZ-HLLBOEOZSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672099033 493735598 /nfs/dbraw/zinc/73/55/98/493735598.db2.gz PEXRMCDOLSFUJH-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672099033 493735599 /nfs/dbraw/zinc/73/55/99/493735599.db2.gz PEXRMCDOLSFUJH-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672099033 493735601 /nfs/dbraw/zinc/73/56/01/493735601.db2.gz PEXRMCDOLSFUJH-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000665887247 493742505 /nfs/dbraw/zinc/74/25/05/493742505.db2.gz HRHJKNJICZDCAN-AZUAARDMSA-N 2 1 361.486 0.586 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011215 674338193 /nfs/dbraw/zinc/33/81/93/674338193.db2.gz QGDVTLAJILEDCK-CVEARBPZSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011215 674338195 /nfs/dbraw/zinc/33/81/95/674338195.db2.gz QGDVTLAJILEDCK-CVEARBPZSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011215 674338197 /nfs/dbraw/zinc/33/81/97/674338197.db2.gz QGDVTLAJILEDCK-CVEARBPZSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000410477748 534019202 /nfs/dbraw/zinc/01/92/02/534019202.db2.gz VXFXMXSPCFJCLD-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419444215 536497110 /nfs/dbraw/zinc/49/71/10/536497110.db2.gz CDEYZGCGTBOKPZ-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000410474831 527770275 /nfs/dbraw/zinc/77/02/75/527770275.db2.gz YHIKYCRCHUVCLK-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CCOC ZINC000410474831 527770279 /nfs/dbraw/zinc/77/02/79/527770279.db2.gz YHIKYCRCHUVCLK-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840330 527823662 /nfs/dbraw/zinc/82/36/62/527823662.db2.gz DTJGURQXUSSRJO-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840330 527823666 /nfs/dbraw/zinc/82/36/66/527823666.db2.gz DTJGURQXUSSRJO-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840330 527823670 /nfs/dbraw/zinc/82/36/70/527823670.db2.gz DTJGURQXUSSRJO-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410840330 527823674 /nfs/dbraw/zinc/82/36/74/527823674.db2.gz DTJGURQXUSSRJO-JKSUJKDBSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410811959 527829563 /nfs/dbraw/zinc/82/95/63/527829563.db2.gz XAZSKFITVUUKDV-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410811959 527829570 /nfs/dbraw/zinc/82/95/70/527829570.db2.gz XAZSKFITVUUKDV-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410811959 527829582 /nfs/dbraw/zinc/82/95/82/527829582.db2.gz XAZSKFITVUUKDV-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410474278 527842072 /nfs/dbraw/zinc/84/20/72/527842072.db2.gz WUYKJIVJXHIBFE-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000410474278 527842075 /nfs/dbraw/zinc/84/20/75/527842075.db2.gz WUYKJIVJXHIBFE-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000186597172 527873173 /nfs/dbraw/zinc/87/31/73/527873173.db2.gz IAXUMRQTQQGDBY-APWZRJJASA-N 2 1 363.506 0.884 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000410700616 527962469 /nfs/dbraw/zinc/96/24/69/527962469.db2.gz KMBKOQGHKKCMHD-ULQDDVLXSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000410700616 527962471 /nfs/dbraw/zinc/96/24/71/527962471.db2.gz KMBKOQGHKKCMHD-ULQDDVLXSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410780924 527990355 /nfs/dbraw/zinc/99/03/55/527990355.db2.gz AHZVPKLSKMBOCJ-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410780924 527990365 /nfs/dbraw/zinc/99/03/65/527990365.db2.gz AHZVPKLSKMBOCJ-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000413158278 528258463 /nfs/dbraw/zinc/25/84/63/528258463.db2.gz BBMVANOGKHFUQF-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000413158278 528258464 /nfs/dbraw/zinc/25/84/64/528258464.db2.gz BBMVANOGKHFUQF-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@@H+]1C ZINC000410731934 528714448 /nfs/dbraw/zinc/71/44/48/528714448.db2.gz QUWHAMQXOLBFTI-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000410731934 528714452 /nfs/dbraw/zinc/71/44/52/528714452.db2.gz QUWHAMQXOLBFTI-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731934 528714460 /nfs/dbraw/zinc/71/44/60/528714460.db2.gz QUWHAMQXOLBFTI-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000410731934 528714463 /nfs/dbraw/zinc/71/44/63/528714463.db2.gz QUWHAMQXOLBFTI-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C1 ZINC000178884662 529051890 /nfs/dbraw/zinc/05/18/90/529051890.db2.gz JEINGEXFAHZYAE-KRWDZBQOSA-N 2 1 352.523 0.759 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782091 529099547 /nfs/dbraw/zinc/09/95/47/529099547.db2.gz KWKNUWWHUKSMAA-HNNXBMFYSA-N 2 1 374.493 0.682 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000419705455 535071589 /nfs/dbraw/zinc/07/15/89/535071589.db2.gz ZPLCBLCKADAGOE-YVSFHVDLSA-N 2 1 350.507 0.809 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419692523 535074483 /nfs/dbraw/zinc/07/44/83/535074483.db2.gz GZRBATIZOLCJSK-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419158930 535081850 /nfs/dbraw/zinc/08/18/50/535081850.db2.gz WUHRBYVRCSAYBM-XHSDSOJGSA-N 2 1 368.522 0.700 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000419154728 535082822 /nfs/dbraw/zinc/08/28/22/535082822.db2.gz QLLAEFSRWAIKMM-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423920459 535204869 /nfs/dbraw/zinc/20/48/69/535204869.db2.gz GEUWDERQDAJPMI-KCQAQPDRSA-N 2 1 352.458 0.901 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424225805 535323150 /nfs/dbraw/zinc/32/31/50/535323150.db2.gz NMSZZKQRROGCSQ-KVDVXYDOSA-N 2 1 363.506 0.807 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424225805 535323152 /nfs/dbraw/zinc/32/31/52/535323152.db2.gz NMSZZKQRROGCSQ-KVDVXYDOSA-N 2 1 363.506 0.807 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419445849 535462424 /nfs/dbraw/zinc/46/24/24/535462424.db2.gz FJHLCDHABWEHAP-INIZCTEOSA-N 2 1 361.490 0.039 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1=O ZINC000442618080 535549805 /nfs/dbraw/zinc/54/98/05/535549805.db2.gz NXHXBPXXHNTWBS-YESZJQIVSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901586 535596615 /nfs/dbraw/zinc/59/66/15/535596615.db2.gz UICYYQUCFPQCCY-ROUUACIJSA-N 2 1 373.501 0.763 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)CC1 ZINC000444171844 535613518 /nfs/dbraw/zinc/61/35/18/535613518.db2.gz QDEZCXITFOUOBK-YLJYHZDGSA-N 2 1 362.518 0.779 20 0 FCADMP CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(=O)OC ZINC000420340112 535657451 /nfs/dbraw/zinc/65/74/51/535657451.db2.gz SPBUPCUPZALICC-WNOSKKOXSA-N 2 1 355.479 0.519 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000423482004 535713537 /nfs/dbraw/zinc/71/35/37/535713537.db2.gz XIKQTVNQDFQXCV-QGZVFWFLSA-N 2 1 350.507 0.907 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896924 535771271 /nfs/dbraw/zinc/77/12/71/535771271.db2.gz YIBDJOGMGYHAOW-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425396314 535865752 /nfs/dbraw/zinc/86/57/52/535865752.db2.gz YMUUBFSLIZEIRQ-DOTOQJQBSA-N 2 1 362.474 0.722 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000423454433 536354737 /nfs/dbraw/zinc/35/47/37/536354737.db2.gz YYXYGRBVCWBWJX-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423311166 536366942 /nfs/dbraw/zinc/36/69/42/536366942.db2.gz SUAQFOXUKHQLPI-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000419758119 536368551 /nfs/dbraw/zinc/36/85/51/536368551.db2.gz DMRBOVPTZUHENX-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000423653664 536398982 /nfs/dbraw/zinc/39/89/82/536398982.db2.gz ZMMYRVAEEPODCJ-GOSISDBHSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000423653664 536398985 /nfs/dbraw/zinc/39/89/85/536398985.db2.gz ZMMYRVAEEPODCJ-GOSISDBHSA-N 2 1 358.486 0.569 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835708 536449482 /nfs/dbraw/zinc/44/94/82/536449482.db2.gz AOZFQZYJAYUHJL-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419878208 536449497 /nfs/dbraw/zinc/44/94/97/536449497.db2.gz YSEBXFDBXIIFJV-AEFFLSMTSA-N 2 1 358.486 0.820 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@H](C)C1 ZINC000423862133 536453470 /nfs/dbraw/zinc/45/34/70/536453470.db2.gz RQFZBMRIGBSZBZ-ZBFHGGJFSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@H](C)C1 ZINC000423862133 536453475 /nfs/dbraw/zinc/45/34/75/536453475.db2.gz RQFZBMRIGBSZBZ-ZBFHGGJFSA-N 2 1 363.462 0.517 20 0 FCADMP COC[C@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000423384379 536654517 /nfs/dbraw/zinc/65/45/17/536654517.db2.gz LDDTYICIHOVQJO-SCTDSRPQSA-N 2 1 352.523 0.630 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419884510 536774577 /nfs/dbraw/zinc/77/45/77/536774577.db2.gz NYUQHXYNDAOYND-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP COC[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000424024756 536813387 /nfs/dbraw/zinc/81/33/87/536813387.db2.gz XWWAOIZFPZJPGI-LJQANCHMSA-N 2 1 360.502 0.722 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000591640615 546595975 /nfs/dbraw/zinc/59/59/75/546595975.db2.gz AFJKDVONPGWBPE-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CN1CCOCC1 ZINC000433404346 546922316 /nfs/dbraw/zinc/92/23/16/546922316.db2.gz WOKYMDRWCLKNCE-IAGOWNOFSA-N 2 1 356.511 0.755 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000433404346 546922320 /nfs/dbraw/zinc/92/23/20/546922320.db2.gz WOKYMDRWCLKNCE-IAGOWNOFSA-N 2 1 356.511 0.755 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000641803828 546959847 /nfs/dbraw/zinc/95/98/47/546959847.db2.gz IBPGVUDLQFHVIK-KFWWJZLASA-N 2 1 357.520 0.660 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000546574265 547041207 /nfs/dbraw/zinc/04/12/07/547041207.db2.gz MYVUOGJLKIIFSJ-SFHVURJKSA-N 2 1 367.515 0.804 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000546574265 547041211 /nfs/dbraw/zinc/04/12/11/547041211.db2.gz MYVUOGJLKIIFSJ-SFHVURJKSA-N 2 1 367.515 0.804 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550032459 547077718 /nfs/dbraw/zinc/07/77/18/547077718.db2.gz MNRAYQGRXNJGQW-MRXNPFEDSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000550096665 547078123 /nfs/dbraw/zinc/07/81/23/547078123.db2.gz KYMPOAXWDQELHU-MRXNPFEDSA-N 2 1 356.511 0.258 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000550457213 547087115 /nfs/dbraw/zinc/08/71/15/547087115.db2.gz AFXYUDFPCZUZCN-MRXNPFEDSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000550457213 547087119 /nfs/dbraw/zinc/08/71/19/547087119.db2.gz AFXYUDFPCZUZCN-MRXNPFEDSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000550457213 547087123 /nfs/dbraw/zinc/08/71/23/547087123.db2.gz AFXYUDFPCZUZCN-MRXNPFEDSA-N 2 1 354.495 0.060 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000550623094 547091944 /nfs/dbraw/zinc/09/19/44/547091944.db2.gz RTZJRSLHMSLYBJ-YOEHRIQHSA-N 2 1 353.488 0.758 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911658 547114835 /nfs/dbraw/zinc/11/48/35/547114835.db2.gz UERQHEBOYJDOCI-YOEHRIQHSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278638 547138483 /nfs/dbraw/zinc/13/84/83/547138483.db2.gz SUNCQULNCJQMLE-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278638 547138484 /nfs/dbraw/zinc/13/84/84/547138484.db2.gz SUNCQULNCJQMLE-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278638 547138488 /nfs/dbraw/zinc/13/84/88/547138488.db2.gz SUNCQULNCJQMLE-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551492069 547149537 /nfs/dbraw/zinc/14/95/37/547149537.db2.gz LCIMNCXJPAYBHJ-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000551492069 547149542 /nfs/dbraw/zinc/14/95/42/547149542.db2.gz LCIMNCXJPAYBHJ-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000551492069 547149546 /nfs/dbraw/zinc/14/95/46/547149546.db2.gz LCIMNCXJPAYBHJ-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000552192433 547194490 /nfs/dbraw/zinc/19/44/90/547194490.db2.gz SZKUIYRJMMNOEA-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000552622863 547220206 /nfs/dbraw/zinc/22/02/06/547220206.db2.gz ONSSGYMGHXKSGX-UHFFFAOYSA-N 2 1 356.511 0.261 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000553023439 547246655 /nfs/dbraw/zinc/24/66/55/547246655.db2.gz REMGQYCAJTXKKK-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000553039090 547249095 /nfs/dbraw/zinc/24/90/95/547249095.db2.gz FYUAARCPHGREJX-AWEZNQCLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000553542998 547287114 /nfs/dbraw/zinc/28/71/14/547287114.db2.gz OTTTUWCOGFYXQK-OWCLPIDISA-N 2 1 351.495 0.594 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000553542996 547287169 /nfs/dbraw/zinc/28/71/69/547287169.db2.gz OTTTUWCOGFYXQK-BZUAXINKSA-N 2 1 351.495 0.594 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCCNC3=O)CC2)CC1 ZINC000553555837 547288209 /nfs/dbraw/zinc/28/82/09/547288209.db2.gz COGVKFGIRVSOOS-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000553712398 547302283 /nfs/dbraw/zinc/30/22/83/547302283.db2.gz XBSLPQZDKCONPX-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356762 547337317 /nfs/dbraw/zinc/33/73/17/547337317.db2.gz WFSRYXHSJOVMKG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356762 547337323 /nfs/dbraw/zinc/33/73/23/547337323.db2.gz WFSRYXHSJOVMKG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356762 547337326 /nfs/dbraw/zinc/33/73/26/547337326.db2.gz WFSRYXHSJOVMKG-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000488713906 547386017 /nfs/dbraw/zinc/38/60/17/547386017.db2.gz MEZHTJAPJQNWTR-MTNOOBJLSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000488713906 547386024 /nfs/dbraw/zinc/38/60/24/547386024.db2.gz MEZHTJAPJQNWTR-MTNOOBJLSA-N 2 1 355.523 0.642 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000950256374 674423484 /nfs/dbraw/zinc/42/34/84/674423484.db2.gz WMVDRQQNNYPYDV-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000950256374 674423485 /nfs/dbraw/zinc/42/34/85/674423485.db2.gz WMVDRQQNNYPYDV-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000950256374 674423487 /nfs/dbraw/zinc/42/34/87/674423487.db2.gz WMVDRQQNNYPYDV-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](CCCO)C1 ZINC000950346526 674425103 /nfs/dbraw/zinc/42/51/03/674425103.db2.gz JBTIFXYTLROXHG-MSOLQXFVSA-N 2 1 353.507 0.648 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC000950363896 674425648 /nfs/dbraw/zinc/42/56/48/674425648.db2.gz WFRNUPKJEKAIRO-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC000950363897 674425738 /nfs/dbraw/zinc/42/57/38/674425738.db2.gz WFRNUPKJEKAIRO-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000950986765 674445404 /nfs/dbraw/zinc/44/54/04/674445404.db2.gz GRXMWKOQUWYRRV-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845768 598814218 /nfs/dbraw/zinc/81/42/18/598814218.db2.gz NAIRYVCGMYHSQG-QGZVFWFLSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845768 598814220 /nfs/dbraw/zinc/81/42/20/598814220.db2.gz NAIRYVCGMYHSQG-QGZVFWFLSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736845768 598814222 /nfs/dbraw/zinc/81/42/22/598814222.db2.gz NAIRYVCGMYHSQG-QGZVFWFLSA-N 2 1 369.473 0.853 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000953978639 674487390 /nfs/dbraw/zinc/48/73/90/674487390.db2.gz XGNCSMVWCGOTPV-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954273695 674493480 /nfs/dbraw/zinc/49/34/80/674493480.db2.gz FGJKYZUPLWGNLQ-OIISXLGYSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954273695 674493481 /nfs/dbraw/zinc/49/34/81/674493481.db2.gz FGJKYZUPLWGNLQ-OIISXLGYSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954273695 674493482 /nfs/dbraw/zinc/49/34/82/674493482.db2.gz FGJKYZUPLWGNLQ-OIISXLGYSA-N 2 1 350.507 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000954412749 674496993 /nfs/dbraw/zinc/49/69/93/674496993.db2.gz NEDYVTCQFCMEEZ-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000954412749 674496996 /nfs/dbraw/zinc/49/69/96/674496996.db2.gz NEDYVTCQFCMEEZ-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000954412749 674496999 /nfs/dbraw/zinc/49/69/99/674496999.db2.gz NEDYVTCQFCMEEZ-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000954413269 674497138 /nfs/dbraw/zinc/49/71/38/674497138.db2.gz XDHCPGNKCAUHOI-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000954413269 674497139 /nfs/dbraw/zinc/49/71/39/674497139.db2.gz XDHCPGNKCAUHOI-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000954413269 674497140 /nfs/dbraw/zinc/49/71/40/674497140.db2.gz XDHCPGNKCAUHOI-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000957592517 674546793 /nfs/dbraw/zinc/54/67/93/674546793.db2.gz JBXFATXNNVPDKC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP OCCOCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510537 609171291 /nfs/dbraw/zinc/17/12/91/609171291.db2.gz WPFTXTZJEKOFSK-UHFFFAOYSA-N 2 1 360.462 0.820 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000989231251 665720882 /nfs/dbraw/zinc/72/08/82/665720882.db2.gz UPQUGONQZWNYFP-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000729617309 665736348 /nfs/dbraw/zinc/73/63/48/665736348.db2.gz ABEFYFGEEAKZFX-WCXIOVBPSA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000729617754 665736391 /nfs/dbraw/zinc/73/63/91/665736391.db2.gz GOXNTEXQFFIXDT-BRWVUGGUSA-N 2 1 352.479 0.356 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000729617754 665736393 /nfs/dbraw/zinc/73/63/93/665736393.db2.gz GOXNTEXQFFIXDT-BRWVUGGUSA-N 2 1 352.479 0.356 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897593432 665742844 /nfs/dbraw/zinc/74/28/44/665742844.db2.gz HOJBFCADURUZFY-OAHLLOKOSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990760830 665930035 /nfs/dbraw/zinc/93/00/35/665930035.db2.gz HJCSLMPUZWKXLA-AIANPOQGSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990760830 665930037 /nfs/dbraw/zinc/93/00/37/665930037.db2.gz HJCSLMPUZWKXLA-AIANPOQGSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760830 665930038 /nfs/dbraw/zinc/93/00/38/665930038.db2.gz HJCSLMPUZWKXLA-AIANPOQGSA-N 2 1 357.520 0.484 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990760830 665930041 /nfs/dbraw/zinc/93/00/41/665930041.db2.gz HJCSLMPUZWKXLA-AIANPOQGSA-N 2 1 357.520 0.484 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990765011 665931688 /nfs/dbraw/zinc/93/16/88/665931688.db2.gz ROFVUYQTEYLCAM-BVIKNXMNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990765011 665931689 /nfs/dbraw/zinc/93/16/89/665931689.db2.gz ROFVUYQTEYLCAM-BVIKNXMNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765011 665931691 /nfs/dbraw/zinc/93/16/91/665931691.db2.gz ROFVUYQTEYLCAM-BVIKNXMNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765011 665931692 /nfs/dbraw/zinc/93/16/92/665931692.db2.gz ROFVUYQTEYLCAM-BVIKNXMNSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000969706768 663190357 /nfs/dbraw/zinc/19/03/57/663190357.db2.gz PHMSZEYARZDENL-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001022105145 663404948 /nfs/dbraw/zinc/40/49/48/663404948.db2.gz RFSIDDSLKBFXJZ-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP COCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001022105237 663405010 /nfs/dbraw/zinc/40/50/10/663405010.db2.gz VUALUKQCFRJLFR-MEBFFEOJSA-N 2 1 351.451 0.854 20 0 FCADMP COCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001022105237 663405012 /nfs/dbraw/zinc/40/50/12/663405012.db2.gz VUALUKQCFRJLFR-MEBFFEOJSA-N 2 1 351.451 0.854 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001022109312 663405852 /nfs/dbraw/zinc/40/58/52/663405852.db2.gz KWMCJSKQDGENEL-ZOFXXKQRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495569 663409836 /nfs/dbraw/zinc/40/98/36/663409836.db2.gz ZVNCDOVXYOTSJU-XQLPTFJDSA-N 2 1 353.467 0.293 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000891513855 663410913 /nfs/dbraw/zinc/41/09/13/663410913.db2.gz IALMBCGLEWTSHY-YVECIDJPSA-N 2 1 350.385 0.628 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891537094 663412821 /nfs/dbraw/zinc/41/28/21/663412821.db2.gz IJLVJPROAMULCL-RBVVOMGSSA-N 2 1 351.495 0.369 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000891567943 663416022 /nfs/dbraw/zinc/41/60/22/663416022.db2.gz YQZGNPUIMOTJCW-BRWVUGGUSA-N 2 1 353.511 0.210 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000891582117 663416655 /nfs/dbraw/zinc/41/66/55/663416655.db2.gz CNTJDEGSLJOVLO-CVEARBPZSA-N 2 1 354.495 0.413 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000933843137 663444100 /nfs/dbraw/zinc/44/41/00/663444100.db2.gz VAZVNXSBSJZBBZ-TVFCKZIOSA-N 2 1 351.491 0.951 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000891926330 663449728 /nfs/dbraw/zinc/44/97/28/663449728.db2.gz MKJUTEWLZYZVOG-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000891926330 663449729 /nfs/dbraw/zinc/44/97/29/663449729.db2.gz MKJUTEWLZYZVOG-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000891926330 663449732 /nfs/dbraw/zinc/44/97/32/663449732.db2.gz MKJUTEWLZYZVOG-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000892081829 663474102 /nfs/dbraw/zinc/47/41/02/663474102.db2.gz FJJFXCKVLGTNKL-IAGOWNOFSA-N 2 1 353.511 0.224 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892089008 663474969 /nfs/dbraw/zinc/47/49/69/663474969.db2.gz NYDDZCXDKPVFRR-IXDOHACOSA-N 2 1 353.511 0.352 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892174542 663485387 /nfs/dbraw/zinc/48/53/87/663485387.db2.gz FGIHXFUTROWWBK-IXDOHACOSA-N 2 1 353.511 0.210 20 0 FCADMP C[C@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)CN1CC[NH+](C)CC1 ZINC000924489528 663611236 /nfs/dbraw/zinc/61/12/36/663611236.db2.gz ALFXVJXTAFYNCS-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)NC2CC2)CC[N@@H+]1C ZINC001024448189 663943966 /nfs/dbraw/zinc/94/39/66/663943966.db2.gz FEXYLMGCZSFEKB-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)NC2CC2)CC[N@H+]1C ZINC001024448189 663943967 /nfs/dbraw/zinc/94/39/67/663943967.db2.gz FEXYLMGCZSFEKB-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC001024448189 663943968 /nfs/dbraw/zinc/94/39/68/663943968.db2.gz FEXYLMGCZSFEKB-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC001024448189 663943970 /nfs/dbraw/zinc/94/39/70/663943970.db2.gz FEXYLMGCZSFEKB-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cnnn2C)O1 ZINC001024506317 663956858 /nfs/dbraw/zinc/95/68/58/663956858.db2.gz KKKFIAQQRKESEQ-IJEWVQPXSA-N 2 1 350.467 0.005 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cnnn2C)O1 ZINC001024506317 663956859 /nfs/dbraw/zinc/95/68/59/663956859.db2.gz KKKFIAQQRKESEQ-IJEWVQPXSA-N 2 1 350.467 0.005 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C1 ZINC000892535336 664024038 /nfs/dbraw/zinc/02/40/38/664024038.db2.gz DBIIMLADGTURBZ-KRWDZBQOSA-N 2 1 350.463 0.158 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C1 ZINC000892535336 664024041 /nfs/dbraw/zinc/02/40/41/664024041.db2.gz DBIIMLADGTURBZ-KRWDZBQOSA-N 2 1 350.463 0.158 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000973334084 664100114 /nfs/dbraw/zinc/10/01/14/664100114.db2.gz YDITZKVUEBQRNP-SMLCLMEVSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000973334084 664100115 /nfs/dbraw/zinc/10/01/15/664100115.db2.gz YDITZKVUEBQRNP-SMLCLMEVSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000973334084 664100117 /nfs/dbraw/zinc/10/01/17/664100117.db2.gz YDITZKVUEBQRNP-SMLCLMEVSA-N 2 1 350.507 0.964 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000892918463 664154712 /nfs/dbraw/zinc/15/47/12/664154712.db2.gz FLIIMSJDYOUMSP-ZBFHGGJFSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892937232 664162208 /nfs/dbraw/zinc/16/22/08/664162208.db2.gz BSDMHQUOIRMQOQ-HOTGVXAUSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000892937232 664162209 /nfs/dbraw/zinc/16/22/09/664162209.db2.gz BSDMHQUOIRMQOQ-HOTGVXAUSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC[C@H]4CCOC4)C[C@H]32)O1 ZINC001025818489 664195323 /nfs/dbraw/zinc/19/53/23/664195323.db2.gz WOZYCYXKAOBKNR-HTPGKPQGSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCC[C@H]4CCOC4)C[C@H]32)O1 ZINC001025818489 664195325 /nfs/dbraw/zinc/19/53/25/664195325.db2.gz WOZYCYXKAOBKNR-HTPGKPQGSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCC[C@H]4CCOC4)C[C@H]32)O1 ZINC001025818489 664195328 /nfs/dbraw/zinc/19/53/28/664195328.db2.gz WOZYCYXKAOBKNR-HTPGKPQGSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCC[C@H]4CCOC4)C[C@H]32)O1 ZINC001025818489 664195331 /nfs/dbraw/zinc/19/53/31/664195331.db2.gz WOZYCYXKAOBKNR-HTPGKPQGSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC[C@H]4CCOC4)C[C@H]32)O1 ZINC001025818489 664195334 /nfs/dbraw/zinc/19/53/34/664195334.db2.gz WOZYCYXKAOBKNR-HTPGKPQGSA-N 2 1 351.491 0.569 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3cnn(CCF)c3)C2)CC1 ZINC000893022092 664200220 /nfs/dbraw/zinc/20/02/20/664200220.db2.gz JVJUBYNFGGFRML-HNNXBMFYSA-N 2 1 352.458 0.820 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974186296 664227267 /nfs/dbraw/zinc/22/72/67/664227267.db2.gz HHPFZKCFXJUPGY-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974186296 664227268 /nfs/dbraw/zinc/22/72/68/664227268.db2.gz HHPFZKCFXJUPGY-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974186296 664227269 /nfs/dbraw/zinc/22/72/69/664227269.db2.gz HHPFZKCFXJUPGY-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000959947574 674603194 /nfs/dbraw/zinc/60/31/94/674603194.db2.gz AUJWQCJILMAPAS-ZBRFXRBCSA-N 2 1 351.491 0.426 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@H+]1C ZINC000974606713 664268615 /nfs/dbraw/zinc/26/86/15/664268615.db2.gz SRMXRLHFRJJJRI-RBSFLKMASA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974606713 664268616 /nfs/dbraw/zinc/26/86/16/664268616.db2.gz SRMXRLHFRJJJRI-RBSFLKMASA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974606713 664268619 /nfs/dbraw/zinc/26/86/19/664268619.db2.gz SRMXRLHFRJJJRI-RBSFLKMASA-N 2 1 351.495 0.178 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026916892 664277076 /nfs/dbraw/zinc/27/70/76/664277076.db2.gz QVUCWSJNNDRZCD-KWCYVHTRSA-N 2 1 353.492 0.504 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026916892 664277079 /nfs/dbraw/zinc/27/70/79/664277079.db2.gz QVUCWSJNNDRZCD-KWCYVHTRSA-N 2 1 353.492 0.504 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnnn2C)O1 ZINC000960043063 674614110 /nfs/dbraw/zinc/61/41/10/674614110.db2.gz BDAYEZAMLSQXNO-IJEWVQPXSA-N 2 1 350.467 0.005 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnnn2C)O1 ZINC000960043063 674614114 /nfs/dbraw/zinc/61/41/14/674614114.db2.gz BDAYEZAMLSQXNO-IJEWVQPXSA-N 2 1 350.467 0.005 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)C1 ZINC000976698805 664395549 /nfs/dbraw/zinc/39/55/49/664395549.db2.gz DYJOGBPZIFQWQB-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1C ZINC000893501666 664420128 /nfs/dbraw/zinc/42/01/28/664420128.db2.gz PCAQWJJLTLNQSS-LSDHHAIUSA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n1C ZINC000893501666 664420131 /nfs/dbraw/zinc/42/01/31/664420131.db2.gz PCAQWJJLTLNQSS-LSDHHAIUSA-N 2 1 350.467 0.227 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000978990473 664452474 /nfs/dbraw/zinc/45/24/74/664452474.db2.gz UHNWKRNLOXMNCP-NQNKBUKLSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000979871042 664464922 /nfs/dbraw/zinc/46/49/22/664464922.db2.gz FUNOBQATRRXVDC-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979871042 664464926 /nfs/dbraw/zinc/46/49/26/664464926.db2.gz FUNOBQATRRXVDC-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000979887146 664465423 /nfs/dbraw/zinc/46/54/23/664465423.db2.gz UFYFEAINXIZOGQ-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000979887146 664465425 /nfs/dbraw/zinc/46/54/25/664465425.db2.gz UFYFEAINXIZOGQ-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000979887146 664465428 /nfs/dbraw/zinc/46/54/28/664465428.db2.gz UFYFEAINXIZOGQ-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184342 664815569 /nfs/dbraw/zinc/81/55/69/664815569.db2.gz GOAQVMRMWDLMJI-NXHRZFHOSA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000981200169 664817760 /nfs/dbraw/zinc/81/77/60/664817760.db2.gz LJEMXSZWHVAFHK-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000981200169 664817764 /nfs/dbraw/zinc/81/77/64/664817764.db2.gz LJEMXSZWHVAFHK-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000981200169 664817769 /nfs/dbraw/zinc/81/77/69/664817769.db2.gz LJEMXSZWHVAFHK-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778775 664839645 /nfs/dbraw/zinc/83/96/45/664839645.db2.gz PLOISJZMQXCSHE-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000981778775 664839652 /nfs/dbraw/zinc/83/96/52/664839652.db2.gz PLOISJZMQXCSHE-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778775 664839659 /nfs/dbraw/zinc/83/96/59/664839659.db2.gz PLOISJZMQXCSHE-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](C[C@H]2CCOC2)C3)O1 ZINC000981842022 664843206 /nfs/dbraw/zinc/84/32/06/664843206.db2.gz RQUWJJCGBBZGQT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](C[C@H]2CCOC2)C3)O1 ZINC000981842022 664843213 /nfs/dbraw/zinc/84/32/13/664843213.db2.gz RQUWJJCGBBZGQT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](C[C@H]2CCOC2)C3)O1 ZINC000981842022 664843218 /nfs/dbraw/zinc/84/32/18/664843218.db2.gz RQUWJJCGBBZGQT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](C[C@H]2CCOC2)C3)O1 ZINC000981842022 664843223 /nfs/dbraw/zinc/84/32/23/664843223.db2.gz RQUWJJCGBBZGQT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](C[C@H]2CCOC2)C3)O1 ZINC000981842022 664843228 /nfs/dbraw/zinc/84/32/28/664843228.db2.gz RQUWJJCGBBZGQT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001028551889 664902412 /nfs/dbraw/zinc/90/24/12/664902412.db2.gz AVAUJHGBKYSMMW-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001028551889 664902414 /nfs/dbraw/zinc/90/24/14/664902414.db2.gz AVAUJHGBKYSMMW-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001028551889 664902416 /nfs/dbraw/zinc/90/24/16/664902416.db2.gz AVAUJHGBKYSMMW-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(I)n1 ZINC000894292019 664949393 /nfs/dbraw/zinc/94/93/93/664949393.db2.gz BIHCUNYITUFFRS-UHFFFAOYSA-N 2 1 364.231 0.571 20 0 FCADMP C[C@@H]([NH2+]Cc1cnns1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111494 664986554 /nfs/dbraw/zinc/98/65/54/664986554.db2.gz JHJGYZYTVCOQSQ-XJKCOSOUSA-N 2 1 367.519 0.974 20 0 FCADMP C[C@@H]([NH2+]Cc1cnns1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111494 664986557 /nfs/dbraw/zinc/98/65/57/664986557.db2.gz JHJGYZYTVCOQSQ-XJKCOSOUSA-N 2 1 367.519 0.974 20 0 FCADMP COc1nscc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984015334 665013215 /nfs/dbraw/zinc/01/32/15/665013215.db2.gz PHTMWQDZZAFWJW-QHSBEEBCSA-N 2 1 368.503 0.855 20 0 FCADMP COc1nscc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984015334 665013219 /nfs/dbraw/zinc/01/32/19/665013219.db2.gz PHTMWQDZZAFWJW-QHSBEEBCSA-N 2 1 368.503 0.855 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237586 665078143 /nfs/dbraw/zinc/07/81/43/665078143.db2.gz UMHBUKILXRLSOV-MRXNPFEDSA-N 2 1 351.495 0.372 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237586 665078146 /nfs/dbraw/zinc/07/81/46/665078146.db2.gz UMHBUKILXRLSOV-MRXNPFEDSA-N 2 1 351.495 0.372 20 0 FCADMP CC[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000896730511 665104719 /nfs/dbraw/zinc/10/47/19/665104719.db2.gz RGNGEHUUFOPDEL-QAPCUYQASA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938038514 665312671 /nfs/dbraw/zinc/31/26/71/665312671.db2.gz AACLOGXFGXLVDP-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000989052477 665338047 /nfs/dbraw/zinc/33/80/47/665338047.db2.gz WJHFSDKIBZOGBU-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC(NC(=S)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000905556895 666028162 /nfs/dbraw/zinc/02/81/62/666028162.db2.gz ZLJDSCQPZHSSTC-QGZVFWFLSA-N 2 1 369.579 0.341 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713897 666063466 /nfs/dbraw/zinc/06/34/66/666063466.db2.gz LNJFJLFNDUMJKW-MSOLQXFVSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000906713897 666063468 /nfs/dbraw/zinc/06/34/68/666063468.db2.gz LNJFJLFNDUMJKW-MSOLQXFVSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000906713897 666063471 /nfs/dbraw/zinc/06/34/71/666063471.db2.gz LNJFJLFNDUMJKW-MSOLQXFVSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000906917610 666081171 /nfs/dbraw/zinc/08/11/71/666081171.db2.gz JCPKGWGCFHCJGQ-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000906917610 666081173 /nfs/dbraw/zinc/08/11/73/666081173.db2.gz JCPKGWGCFHCJGQ-JKSUJKDBSA-N 2 1 359.536 0.686 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419160296 674726690 /nfs/dbraw/zinc/72/66/90/674726690.db2.gz YWSHGQKLZSYKKH-APWZRJJASA-N 2 1 350.507 0.825 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911033686 666307188 /nfs/dbraw/zinc/30/71/88/666307188.db2.gz JQUXVUIOVAPLPB-HRCADAONSA-N 2 1 354.495 0.189 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000911079329 666310456 /nfs/dbraw/zinc/31/04/56/666310456.db2.gz XOSCRPUQDFYOEG-CYBMUJFWSA-N 2 1 350.488 0.684 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911694090 666371216 /nfs/dbraw/zinc/37/12/16/666371216.db2.gz SJZFITDXDJPDCR-CQSZACIVSA-N 2 1 371.279 0.479 20 0 FCADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912286886 666398732 /nfs/dbraw/zinc/39/87/32/666398732.db2.gz HNJJRGDTDGLSGF-LJQANCHMSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940310771 666546323 /nfs/dbraw/zinc/54/63/23/666546323.db2.gz IHOILNMELFYROB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@@H]12 ZINC000991974155 666611208 /nfs/dbraw/zinc/61/12/08/666611208.db2.gz LEKPEZRONXNCHJ-SFNKJDCFSA-N 2 1 351.491 0.999 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)CC[N@H+]1C ZINC000992399276 666636070 /nfs/dbraw/zinc/63/60/70/666636070.db2.gz HEKASWRXNIQQTM-BBWFWOEESA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC[NH+]1C ZINC000992399276 666636071 /nfs/dbraw/zinc/63/60/71/666636071.db2.gz HEKASWRXNIQQTM-BBWFWOEESA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC[NH+]1C ZINC000992399276 666636073 /nfs/dbraw/zinc/63/60/73/666636073.db2.gz HEKASWRXNIQQTM-BBWFWOEESA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000944052570 666824412 /nfs/dbraw/zinc/82/44/12/666824412.db2.gz OAEMWWDXEQCNPS-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000944052570 666824417 /nfs/dbraw/zinc/82/44/17/666824417.db2.gz OAEMWWDXEQCNPS-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000944052570 666824418 /nfs/dbraw/zinc/82/44/18/666824418.db2.gz OAEMWWDXEQCNPS-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000944107911 666830308 /nfs/dbraw/zinc/83/03/08/666830308.db2.gz BXQDFLOYMVRRBR-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993844630 666943410 /nfs/dbraw/zinc/94/34/10/666943410.db2.gz UJRXDYBWGUWWTB-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276473 666959011 /nfs/dbraw/zinc/95/90/11/666959011.db2.gz CYENDMCNCZNBEW-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734263466 666959429 /nfs/dbraw/zinc/95/94/29/666959429.db2.gz ADKUZIFIFOPHRO-QGZVFWFLSA-N 2 1 354.495 0.651 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994041153 666959803 /nfs/dbraw/zinc/95/98/03/666959803.db2.gz XSBBQQLYOXSAJD-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000994041153 666959807 /nfs/dbraw/zinc/95/98/07/666959807.db2.gz XSBBQQLYOXSAJD-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000994041153 666959810 /nfs/dbraw/zinc/95/98/10/666959810.db2.gz XSBBQQLYOXSAJD-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000996776494 666978698 /nfs/dbraw/zinc/97/86/98/666978698.db2.gz NXTWRAQKWULUBS-AQEOSJORSA-N 2 1 352.523 0.770 20 0 FCADMP CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000996776494 666978700 /nfs/dbraw/zinc/97/87/00/666978700.db2.gz NXTWRAQKWULUBS-AQEOSJORSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000994246705 666993747 /nfs/dbraw/zinc/99/37/47/666993747.db2.gz DZEGHQYJRJRFGZ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916843093 667032719 /nfs/dbraw/zinc/03/27/19/667032719.db2.gz TVHTYJBJCUTVSV-IXDOHACOSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916843093 667032723 /nfs/dbraw/zinc/03/27/23/667032723.db2.gz TVHTYJBJCUTVSV-IXDOHACOSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000916843093 667032728 /nfs/dbraw/zinc/03/27/28/667032728.db2.gz TVHTYJBJCUTVSV-IXDOHACOSA-N 2 1 352.479 0.402 20 0 FCADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408894 667110725 /nfs/dbraw/zinc/11/07/25/667110725.db2.gz MXNISBHLMBAFPG-FJIDUMEYSA-N 2 1 351.491 0.665 20 0 FCADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408894 667110728 /nfs/dbraw/zinc/11/07/28/667110728.db2.gz MXNISBHLMBAFPG-FJIDUMEYSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000997597343 667166391 /nfs/dbraw/zinc/16/63/91/667166391.db2.gz SHWWOIYFOVVOSY-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000997597343 667166394 /nfs/dbraw/zinc/16/63/94/667166394.db2.gz SHWWOIYFOVVOSY-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000997793592 667176631 /nfs/dbraw/zinc/17/66/31/667176631.db2.gz RNZYKDCEOWWLNW-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999492718 667241373 /nfs/dbraw/zinc/24/13/73/667241373.db2.gz BZKILIHVMHWCGS-KWCYVHTRSA-N 2 1 353.492 0.646 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999492718 667241375 /nfs/dbraw/zinc/24/13/75/667241375.db2.gz BZKILIHVMHWCGS-KWCYVHTRSA-N 2 1 353.492 0.646 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001033094981 667670150 /nfs/dbraw/zinc/67/01/50/667670150.db2.gz MNVXXMBJRQSWOK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001033094981 667670153 /nfs/dbraw/zinc/67/01/53/667670153.db2.gz MNVXXMBJRQSWOK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001033094981 667670155 /nfs/dbraw/zinc/67/01/55/667670155.db2.gz MNVXXMBJRQSWOK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001033094981 667670156 /nfs/dbraw/zinc/67/01/56/667670156.db2.gz MNVXXMBJRQSWOK-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033834369 667738928 /nfs/dbraw/zinc/73/89/28/667738928.db2.gz PTCVCKJZNZZISV-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033834369 667738930 /nfs/dbraw/zinc/73/89/30/667738930.db2.gz PTCVCKJZNZZISV-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001033834369 667738932 /nfs/dbraw/zinc/73/89/32/667738932.db2.gz PTCVCKJZNZZISV-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001033834369 667738934 /nfs/dbraw/zinc/73/89/34/667738934.db2.gz PTCVCKJZNZZISV-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001005408314 667739860 /nfs/dbraw/zinc/73/98/60/667739860.db2.gz WUGQYXJGKKBUJS-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2CCF)CC[N@@H+]1C ZINC001034939860 667772435 /nfs/dbraw/zinc/77/24/35/667772435.db2.gz OXKRTAPTIWBIOT-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2CCF)CC[N@H+]1C ZINC001034939860 667772437 /nfs/dbraw/zinc/77/24/37/667772437.db2.gz OXKRTAPTIWBIOT-RBSFLKMASA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](C[C@H]4CCOC4)C3)CC2)O1 ZINC001035733698 667790215 /nfs/dbraw/zinc/79/02/15/667790215.db2.gz WZAKIWAPLNXNHZ-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](C[C@H]4CCOC4)C3)CC2)O1 ZINC001035733698 667790216 /nfs/dbraw/zinc/79/02/16/667790216.db2.gz WZAKIWAPLNXNHZ-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923283066 667821744 /nfs/dbraw/zinc/82/17/44/667821744.db2.gz ZNFBIRXTTXHRIP-KGLIPLIRSA-N 2 1 355.866 0.867 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1F ZINC000923345778 667827173 /nfs/dbraw/zinc/82/71/73/667827173.db2.gz NADDQTMGLWJRHC-GJZGRUSLSA-N 2 1 353.438 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000946907452 667840468 /nfs/dbraw/zinc/84/04/68/667840468.db2.gz BWOKMPIGXJLSIE-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC(CNC(=S)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000760493455 667851472 /nfs/dbraw/zinc/85/14/72/667851472.db2.gz OKVQMTLEPUHJAD-KRWDZBQOSA-N 2 1 353.580 0.915 20 0 FCADMP O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000923592943 667855416 /nfs/dbraw/zinc/85/54/16/667855416.db2.gz XKLMMDNZYPNEMA-UHFFFAOYSA-N 2 1 356.467 0.530 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006187322 667856682 /nfs/dbraw/zinc/85/66/82/667856682.db2.gz OWVRFDMRYCFXKM-SQWLQELKSA-N 2 1 350.507 0.774 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC(=O)OC)C2CCOCC2)CC1 ZINC000743872108 668053078 /nfs/dbraw/zinc/05/30/78/668053078.db2.gz HYGYXMSZVOZDGZ-UHFFFAOYSA-N 2 1 355.479 0.631 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000818967189 668965948 /nfs/dbraw/zinc/96/59/48/668965948.db2.gz YZCBKMCNWHJUBY-INIZCTEOSA-N 2 1 356.511 0.584 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000818967189 668965950 /nfs/dbraw/zinc/96/59/50/668965950.db2.gz YZCBKMCNWHJUBY-INIZCTEOSA-N 2 1 356.511 0.584 20 0 FCADMP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000819062467 668975788 /nfs/dbraw/zinc/97/57/88/668975788.db2.gz QIDUYUPEEFNFLS-INIZCTEOSA-N 2 1 351.447 0.491 20 0 FCADMP CCOC1CC2(C1)CC[N@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000795721604 669058120 /nfs/dbraw/zinc/05/81/20/669058120.db2.gz UXTIKTYBVUJOHS-UHFFFAOYSA-N 2 1 350.463 0.851 20 0 FCADMP CCOC1CC2(C1)CC[N@@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000795721604 669058127 /nfs/dbraw/zinc/05/81/27/669058127.db2.gz UXTIKTYBVUJOHS-UHFFFAOYSA-N 2 1 350.463 0.851 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000822610194 669280967 /nfs/dbraw/zinc/28/09/67/669280967.db2.gz HVAIZQOONFHZKU-QGZVFWFLSA-N 2 1 352.523 0.772 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000808775555 669586307 /nfs/dbraw/zinc/58/63/07/669586307.db2.gz DPQGFOXVFBWDET-DOTOQJQBSA-N 2 1 361.552 0.825 20 0 FCADMP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000808775555 669586310 /nfs/dbraw/zinc/58/63/10/669586310.db2.gz DPQGFOXVFBWDET-DOTOQJQBSA-N 2 1 361.552 0.825 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000830509976 669788833 /nfs/dbraw/zinc/78/88/33/669788833.db2.gz DXWDJBRUPWFWGN-MRXNPFEDSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000964507626 675066292 /nfs/dbraw/zinc/06/62/92/675066292.db2.gz SCAOYHHWZMDCDM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841173138 670539084 /nfs/dbraw/zinc/53/90/84/670539084.db2.gz GDMZNVFAHROWJL-GFCCVEGCSA-N 2 1 367.881 0.836 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)NC(=O)N[C@H]1C ZINC000842472392 670692153 /nfs/dbraw/zinc/69/21/53/670692153.db2.gz GGQVKPGSRZVCQS-JSGCOSHPSA-N 2 1 350.463 0.969 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000843388944 670811554 /nfs/dbraw/zinc/81/15/54/670811554.db2.gz YUAFYJQDBWLEHK-HZPDHXFCSA-N 2 1 352.479 0.609 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844190299 670908780 /nfs/dbraw/zinc/90/87/80/670908780.db2.gz DRVDODADGAFHGW-JKSUJKDBSA-N 2 1 366.531 0.921 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000846032412 671071644 /nfs/dbraw/zinc/07/16/44/671071644.db2.gz AAGGTOUAZMKXHC-QLFBSQMISA-N 2 1 354.495 0.851 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000968009367 675177415 /nfs/dbraw/zinc/17/74/15/675177415.db2.gz JLDJTYDSFNNTJF-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000968009367 675177417 /nfs/dbraw/zinc/17/74/17/675177417.db2.gz JLDJTYDSFNNTJF-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000968009367 675177419 /nfs/dbraw/zinc/17/74/19/675177419.db2.gz JLDJTYDSFNNTJF-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849100717 671317614 /nfs/dbraw/zinc/31/76/14/671317614.db2.gz VJAHWRMSLDXJCH-CQSZACIVSA-N 2 1 354.499 0.309 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)CC1 ZINC000849108639 671318292 /nfs/dbraw/zinc/31/82/92/671318292.db2.gz VIAAPCPYGFTBES-UHFFFAOYSA-N 2 1 355.483 0.786 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[N@H+]2CCCOCC2)CC1 ZINC000849108639 671318293 /nfs/dbraw/zinc/31/82/93/671318293.db2.gz VIAAPCPYGFTBES-UHFFFAOYSA-N 2 1 355.483 0.786 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000850863844 671414473 /nfs/dbraw/zinc/41/44/73/671414473.db2.gz DSZCPCGKPVCZPX-GFCCVEGCSA-N 2 1 367.881 0.754 20 0 FCADMP C[C@@H](C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000109700596 671423634 /nfs/dbraw/zinc/42/36/34/671423634.db2.gz LJIRCMWEMCADNC-ZNMIVQPWSA-N 2 1 359.536 0.873 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852063884 671484573 /nfs/dbraw/zinc/48/45/73/671484573.db2.gz SZBWARRHIFKCGG-GVDBMIGSSA-N 2 1 352.479 0.402 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174254 671492323 /nfs/dbraw/zinc/49/23/23/671492323.db2.gz XXLLHKJMDFNVPK-HNNXBMFYSA-N 2 1 357.495 0.793 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174254 671492326 /nfs/dbraw/zinc/49/23/26/671492326.db2.gz XXLLHKJMDFNVPK-HNNXBMFYSA-N 2 1 357.495 0.793 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000852752886 671523475 /nfs/dbraw/zinc/52/34/75/671523475.db2.gz POXILFLGWSXJFH-MPGHIAIKSA-N 2 1 352.479 0.736 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000857334472 671725228 /nfs/dbraw/zinc/72/52/28/671725228.db2.gz AWKJQDXMNRDRPZ-ROUUACIJSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000903511406 675935920 /nfs/dbraw/zinc/93/59/20/675935920.db2.gz RSABTAKVGCNRGG-UOVPBQLFSA-N 2 1 350.507 0.523 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863763597 672151112 /nfs/dbraw/zinc/15/11/12/672151112.db2.gz FYTPLKSNTNUOSV-OAHLLOKOSA-N 2 1 356.511 0.389 20 0 FCADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931794 675983620 /nfs/dbraw/zinc/98/36/20/675983620.db2.gz IHRRVLDMKDREJD-BXUZGUMPSA-N 2 1 360.384 0.703 20 0 FCADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931794 675983622 /nfs/dbraw/zinc/98/36/22/675983622.db2.gz IHRRVLDMKDREJD-BXUZGUMPSA-N 2 1 360.384 0.703 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/CN1CCOCC1 ZINC000865088935 672225349 /nfs/dbraw/zinc/22/53/49/672225349.db2.gz KLPGXEGWKSRHNJ-JHTBKMLMSA-N 2 1 352.523 0.749 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001050328920 676081778 /nfs/dbraw/zinc/08/17/78/676081778.db2.gz PBEAHFYGDVYERY-WRQOLXDDSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876646635 672969707 /nfs/dbraw/zinc/96/97/07/672969707.db2.gz WLJZWNFCKWJWOA-UHFFFAOYSA-N 2 1 368.503 0.224 20 0 FCADMP CCOC(=O)N1CCC(C)(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000877017497 672994069 /nfs/dbraw/zinc/99/40/69/672994069.db2.gz PGBLLPQNMJMCHU-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000880253441 673183681 /nfs/dbraw/zinc/18/36/81/673183681.db2.gz PSYAJZJLKKYOCF-CALCHBBNSA-N 2 1 352.523 0.901 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)CC1 ZINC000880585724 673201393 /nfs/dbraw/zinc/20/13/93/673201393.db2.gz IXDOVRJSTHAPAK-QGZVFWFLSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001052394276 676122756 /nfs/dbraw/zinc/12/27/56/676122756.db2.gz VSAAPCQBABDQGG-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052394276 676122759 /nfs/dbraw/zinc/12/27/59/676122759.db2.gz VSAAPCQBABDQGG-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052394276 676122760 /nfs/dbraw/zinc/12/27/60/676122760.db2.gz VSAAPCQBABDQGG-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001052393439 676122958 /nfs/dbraw/zinc/12/29/58/676122958.db2.gz JXWJCLABGMBKEH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC001052393439 676122959 /nfs/dbraw/zinc/12/29/59/676122959.db2.gz JXWJCLABGMBKEH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC001052393439 676122960 /nfs/dbraw/zinc/12/29/60/676122960.db2.gz JXWJCLABGMBKEH-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)N1CC[NH2+]CC1 ZINC000883416442 673374273 /nfs/dbraw/zinc/37/42/73/673374273.db2.gz VBIRJHVYRCIUIH-SJORKVTESA-N 2 1 351.491 0.858 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883899933 673402170 /nfs/dbraw/zinc/40/21/70/673402170.db2.gz AQSRONITCBXVKK-HNNXBMFYSA-N 2 1 351.495 0.596 20 0 FCADMP CCN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000884513593 673458806 /nfs/dbraw/zinc/45/88/06/673458806.db2.gz MLZJPRJQVNFXRY-GFCCVEGCSA-N 2 1 352.401 0.587 20 0 FCADMP CCN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000884513593 673458807 /nfs/dbraw/zinc/45/88/07/673458807.db2.gz MLZJPRJQVNFXRY-GFCCVEGCSA-N 2 1 352.401 0.587 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCOCC1 ZINC000884544482 673461009 /nfs/dbraw/zinc/46/10/09/673461009.db2.gz HKWSKEFCPSMNRP-HNNXBMFYSA-N 2 1 354.495 0.191 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1ccsc1 ZINC000884576136 673463179 /nfs/dbraw/zinc/46/31/79/673463179.db2.gz ATGLHECRYQMRPP-RBSFLKMASA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000884576627 673463654 /nfs/dbraw/zinc/46/36/54/673463654.db2.gz MBIOQVFPEKGLOQ-QWHCGFSZSA-N 2 1 374.457 0.828 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1=CC[N@@H+](C)CC1 ZINC000884623719 673466985 /nfs/dbraw/zinc/46/69/85/673466985.db2.gz MLRZNMMQSPMKCH-NSHDSACASA-N 2 1 363.487 0.253 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000884631479 673468049 /nfs/dbraw/zinc/46/80/49/673468049.db2.gz LRKOBSNBOPMSBH-JHJVBQTASA-N 2 1 362.396 0.183 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884664670 673470606 /nfs/dbraw/zinc/47/06/06/673470606.db2.gz RPRDFGWIGAEPMW-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CCN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000884661457 673470717 /nfs/dbraw/zinc/47/07/17/673470717.db2.gz RRWKVHWURKLODB-MRXNPFEDSA-N 2 1 350.438 0.584 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878944 673487875 /nfs/dbraw/zinc/48/78/75/673487875.db2.gz OEPBZDKAUAKANA-HOTGVXAUSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000885195472 673507798 /nfs/dbraw/zinc/50/77/98/673507798.db2.gz LYMMGXREQZTXKE-UHFFFAOYSA-N 2 1 352.504 0.678 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)C2 ZINC000926193483 673816060 /nfs/dbraw/zinc/81/60/60/673816060.db2.gz QWOWSWKRHSYGBU-VXNCWWDNSA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C2 ZINC000926193483 673816061 /nfs/dbraw/zinc/81/60/61/673816061.db2.gz QWOWSWKRHSYGBU-VXNCWWDNSA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C2 ZINC000926193483 673816062 /nfs/dbraw/zinc/81/60/62/673816062.db2.gz QWOWSWKRHSYGBU-VXNCWWDNSA-N 2 1 352.523 0.076 20 0 FCADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926355918 673826275 /nfs/dbraw/zinc/82/62/75/673826275.db2.gz BLEXOYGUJVMDBJ-HNNXBMFYSA-N 2 1 360.568 0.662 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927642965 673875152 /nfs/dbraw/zinc/87/51/52/673875152.db2.gz SIXPYMWRQITRSL-RDJZCZTQSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@@H]1C ZINC000927642965 673875156 /nfs/dbraw/zinc/87/51/56/673875156.db2.gz SIXPYMWRQITRSL-RDJZCZTQSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@@H]1C ZINC000927642965 673875159 /nfs/dbraw/zinc/87/51/59/673875159.db2.gz SIXPYMWRQITRSL-RDJZCZTQSA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@@H]1C ZINC000927642965 673875162 /nfs/dbraw/zinc/87/51/62/673875162.db2.gz SIXPYMWRQITRSL-RDJZCZTQSA-N 2 1 354.495 0.602 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000930176191 674003855 /nfs/dbraw/zinc/00/38/55/674003855.db2.gz DJEUWRPYBFZQTQ-OAHLLOKOSA-N 2 1 368.547 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NC2CC2)CC[N@H+]1C ZINC000968866991 675242093 /nfs/dbraw/zinc/24/20/93/675242093.db2.gz PUDYFAKSVCFMLW-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC000968866991 675242095 /nfs/dbraw/zinc/24/20/95/675242095.db2.gz PUDYFAKSVCFMLW-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NC2CC2)CC[NH+]1C ZINC000968866991 675242098 /nfs/dbraw/zinc/24/20/98/675242098.db2.gz PUDYFAKSVCFMLW-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)CC[N@H+]1C ZINC001011211422 675377416 /nfs/dbraw/zinc/37/74/16/675377416.db2.gz WZOKFVQZZPLOKR-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC001011211422 675377417 /nfs/dbraw/zinc/37/74/17/675377417.db2.gz WZOKFVQZZPLOKR-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC001011211422 675377420 /nfs/dbraw/zinc/37/74/20/675377420.db2.gz WZOKFVQZZPLOKR-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001014504120 675391452 /nfs/dbraw/zinc/39/14/52/675391452.db2.gz UWYNBXSZCOCJHX-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001014504120 675391453 /nfs/dbraw/zinc/39/14/53/675391453.db2.gz UWYNBXSZCOCJHX-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001014504120 675391455 /nfs/dbraw/zinc/39/14/55/675391455.db2.gz UWYNBXSZCOCJHX-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@@H+]1C ZINC001018867479 675417852 /nfs/dbraw/zinc/41/78/52/675417852.db2.gz PYCSBBHMZMFZAA-VNHYZAJKSA-N 2 1 369.487 0.714 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)o3)C2)CC[N@H+]1C ZINC001018867479 675417854 /nfs/dbraw/zinc/41/78/54/675417854.db2.gz PYCSBBHMZMFZAA-VNHYZAJKSA-N 2 1 369.487 0.714 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)CC[N@H+]1C ZINC001020171125 675436241 /nfs/dbraw/zinc/43/62/41/675436241.db2.gz OQQJUGQSVDDXJT-BQJWPVKWSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)C3CCCCC3)C2)O1 ZINC001020286954 675439531 /nfs/dbraw/zinc/43/95/31/675439531.db2.gz REFJRZNBHZOEKN-FXXCCUJSSA-N 2 1 353.507 0.884 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)C3CCCCC3)C2)O1 ZINC001020286954 675439534 /nfs/dbraw/zinc/43/95/34/675439534.db2.gz REFJRZNBHZOEKN-FXXCCUJSSA-N 2 1 353.507 0.884 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NC)C3)CC[N@H+]1C ZINC001040209541 675460138 /nfs/dbraw/zinc/46/01/38/675460138.db2.gz KBNJLCQOQKFEGF-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)NC)C3)CC[NH+]1C ZINC001040209541 675460140 /nfs/dbraw/zinc/46/01/40/675460140.db2.gz KBNJLCQOQKFEGF-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)NC)C3)CC[NH+]1C ZINC001040209541 675460141 /nfs/dbraw/zinc/46/01/41/675460141.db2.gz KBNJLCQOQKFEGF-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001045443962 675653861 /nfs/dbraw/zinc/65/38/61/675653861.db2.gz ACEXSPXPDLELQA-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCF)C3)CC2)O1 ZINC001046038549 675682395 /nfs/dbraw/zinc/68/23/95/675682395.db2.gz MYPTUMKXYVQBHM-BRWVUGGUSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCF)C3)CC2)O1 ZINC001046038549 675682398 /nfs/dbraw/zinc/68/23/98/675682398.db2.gz MYPTUMKXYVQBHM-BRWVUGGUSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCCF)C3)CC2)O1 ZINC001046038549 675682399 /nfs/dbraw/zinc/68/23/99/675682399.db2.gz MYPTUMKXYVQBHM-BRWVUGGUSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCCF)C3)CC2)O1 ZINC001046038549 675682402 /nfs/dbraw/zinc/68/24/02/675682402.db2.gz MYPTUMKXYVQBHM-BRWVUGGUSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000900805742 675718300 /nfs/dbraw/zinc/71/83/00/675718300.db2.gz QERVLAMKDXAPRT-DLBZAZTESA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000900953766 675734494 /nfs/dbraw/zinc/73/44/94/675734494.db2.gz DZGDUVYWOCKVJJ-UHFFFAOYSA-N 2 1 353.555 0.545 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)[C@@H](C)C1 ZINC000901323118 675782116 /nfs/dbraw/zinc/78/21/16/675782116.db2.gz TXZSKXIXUZDTNI-AWEZNQCLSA-N 2 1 351.451 0.154 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)[C@@H](C)C1 ZINC000901323118 675782121 /nfs/dbraw/zinc/78/21/21/675782121.db2.gz TXZSKXIXUZDTNI-AWEZNQCLSA-N 2 1 351.451 0.154 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528366 675859612 /nfs/dbraw/zinc/85/96/12/675859612.db2.gz VYEVAWTZYJVOGA-PHPOFCCKSA-N 2 1 350.507 0.820 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048528366 675859615 /nfs/dbraw/zinc/85/96/15/675859615.db2.gz VYEVAWTZYJVOGA-PHPOFCCKSA-N 2 1 350.507 0.820 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528366 675859617 /nfs/dbraw/zinc/85/96/17/675859617.db2.gz VYEVAWTZYJVOGA-PHPOFCCKSA-N 2 1 350.507 0.820 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969512681 1167999124 /nfs/dbraw/zinc/99/91/24/1167999124.db2.gz VSNTVFJZRPETDC-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092531 1168162128 /nfs/dbraw/zinc/16/21/28/1168162128.db2.gz HESHPRPWFRWPGE-SJORKVTESA-N 2 1 356.474 0.756 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192812 1168170157 /nfs/dbraw/zinc/17/01/57/1168170157.db2.gz PSKHDTCDXAADQJ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192812 1168170165 /nfs/dbraw/zinc/17/01/65/1168170165.db2.gz PSKHDTCDXAADQJ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192812 1168170172 /nfs/dbraw/zinc/17/01/72/1168170172.db2.gz PSKHDTCDXAADQJ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]32)C1 ZINC001083192812 1168170176 /nfs/dbraw/zinc/17/01/76/1168170176.db2.gz PSKHDTCDXAADQJ-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001021240597 1168855822 /nfs/dbraw/zinc/85/58/22/1168855822.db2.gz LWJYOVBEPVSPSC-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001671298339 1169371392 /nfs/dbraw/zinc/37/13/92/1169371392.db2.gz QHUJDEVGXUJQKM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1 ZINC001021489067 1169468078 /nfs/dbraw/zinc/46/80/78/1169468078.db2.gz NOBGAVGNBVJKGX-ARFHVFGLSA-N 2 1 359.474 0.886 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001021712183 1169915133 /nfs/dbraw/zinc/91/51/33/1169915133.db2.gz JRWCSQVCKXZZID-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001021712183 1169915139 /nfs/dbraw/zinc/91/51/39/1169915139.db2.gz JRWCSQVCKXZZID-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001021712471 1169916065 /nfs/dbraw/zinc/91/60/65/1169916065.db2.gz PGLVDPPZSOEQMF-JKSUJKDBSA-N 2 1 359.474 0.735 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@H+]1C ZINC001021805828 1170081468 /nfs/dbraw/zinc/08/14/68/1170081468.db2.gz ACWMQGPXOYKUPA-WNRNVDISSA-N 2 1 374.529 0.872 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345263 1170124747 /nfs/dbraw/zinc/12/47/47/1170124747.db2.gz FHYFQWRMFRFPQR-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345263 1170124755 /nfs/dbraw/zinc/12/47/55/1170124755.db2.gz FHYFQWRMFRFPQR-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104346980 1170131966 /nfs/dbraw/zinc/13/19/66/1170131966.db2.gz OFOUGSXYEYPXMM-QBPKDAKJSA-N 2 1 364.494 0.071 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104346980 1170131981 /nfs/dbraw/zinc/13/19/81/1170131981.db2.gz OFOUGSXYEYPXMM-QBPKDAKJSA-N 2 1 364.494 0.071 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891375081 1170159351 /nfs/dbraw/zinc/15/93/51/1170159351.db2.gz NBCKSQCANRCDNC-NPJQDHAYSA-N 2 1 363.462 0.190 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891386390 1170262414 /nfs/dbraw/zinc/26/24/14/1170262414.db2.gz JJIZDEPOZODQRQ-KFWWJZLASA-N 2 1 362.434 0.158 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104354265 1170345521 /nfs/dbraw/zinc/34/55/21/1170345521.db2.gz YDWCTYPNAFUZCS-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355297 1170368945 /nfs/dbraw/zinc/36/89/45/1170368945.db2.gz WABNTWSJZJUPAL-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@H+]1C ZINC001022103996 1170657493 /nfs/dbraw/zinc/65/74/93/1170657493.db2.gz QTCCJUJUHPPULO-PNBKFKSVSA-N 2 1 369.473 0.739 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(=O)n4[n-]ccc4n3)C2)CC[N@H+]1C ZINC001022104803 1170658807 /nfs/dbraw/zinc/65/88/07/1170658807.db2.gz CYRFJAYRTGEDRG-GUIRCDHDSA-N 2 1 358.446 0.100 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4cnc[nH]4)C[C@H]32)C1 ZINC001022210538 1170747314 /nfs/dbraw/zinc/74/73/14/1170747314.db2.gz CYAKIYHGZVXPNE-HLLBOEOZSA-N 2 1 359.474 0.743 20 0 FCADMP CCn1cc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777450 1170824231 /nfs/dbraw/zinc/82/42/31/1170824231.db2.gz BFFGVRKLHVXJLX-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777450 1170824233 /nfs/dbraw/zinc/82/42/33/1170824233.db2.gz BFFGVRKLHVXJLX-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777450 1170824234 /nfs/dbraw/zinc/82/42/34/1170824234.db2.gz BFFGVRKLHVXJLX-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000971777450 1170824236 /nfs/dbraw/zinc/82/42/36/1170824236.db2.gz BFFGVRKLHVXJLX-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001691223633 1170866192 /nfs/dbraw/zinc/86/61/92/1170866192.db2.gz MJUAVDNMRMNNPD-ZNMIVQPWSA-N 2 1 367.494 0.189 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691244890 1170885004 /nfs/dbraw/zinc/88/50/04/1170885004.db2.gz FKJHDYPRZXXXLW-ZQDZILKHSA-N 2 1 367.494 0.047 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001691257197 1170894904 /nfs/dbraw/zinc/89/49/04/1170894904.db2.gz SYCCOYSIFFZNSW-JKSUJKDBSA-N 2 1 364.494 0.395 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001691257099 1170894980 /nfs/dbraw/zinc/89/49/80/1170894980.db2.gz QBSSCQRYAXLMSZ-JKSUJKDBSA-N 2 1 364.494 0.395 20 0 FCADMP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000933846363 1171019399 /nfs/dbraw/zinc/01/93/99/1171019399.db2.gz INFPVRDXSKZDTI-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000933846363 1171019407 /nfs/dbraw/zinc/01/94/07/1171019407.db2.gz INFPVRDXSKZDTI-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000891880684 1171039231 /nfs/dbraw/zinc/03/92/31/1171039231.db2.gz MCQSIYVSESADFR-INIZCTEOSA-N 2 1 367.538 0.470 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001691384598 1171253335 /nfs/dbraw/zinc/25/33/35/1171253335.db2.gz YCBOIFZGTFNDEC-KFWWJZLASA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087190633 1171338671 /nfs/dbraw/zinc/33/86/71/1171338671.db2.gz WKPKZLUYKOFNFF-CJNGLKHVSA-N 2 1 368.445 0.888 20 0 FCADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891970371 1171360371 /nfs/dbraw/zinc/36/03/71/1171360371.db2.gz JKKXFABKZORJBC-INIZCTEOSA-N 2 1 359.474 0.507 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1)OC ZINC001083236009 1171545489 /nfs/dbraw/zinc/54/54/89/1171545489.db2.gz HBRIHIKDIDVEBR-RYQLBKOJSA-N 2 1 369.506 0.434 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892180348 1171692870 /nfs/dbraw/zinc/69/28/70/1171692870.db2.gz MRHDXQNWBUGASC-ZWKOTPCHSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892180348 1171692878 /nfs/dbraw/zinc/69/28/78/1171692878.db2.gz MRHDXQNWBUGASC-ZWKOTPCHSA-N 2 1 362.474 0.483 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233263 1171785202 /nfs/dbraw/zinc/78/52/02/1171785202.db2.gz VVWIFRBYGSXOSB-NXOAAHMSSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233263 1171785212 /nfs/dbraw/zinc/78/52/12/1171785212.db2.gz VVWIFRBYGSXOSB-NXOAAHMSSA-N 2 1 368.522 0.942 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022719754 1171811392 /nfs/dbraw/zinc/81/13/92/1171811392.db2.gz BHOZCYMLENRYMP-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC001022725691 1171822563 /nfs/dbraw/zinc/82/25/63/1171822563.db2.gz XAGBAXHNFBSGLT-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP Cc1nccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000972257823 1171892965 /nfs/dbraw/zinc/89/29/65/1171892965.db2.gz VQBQLNTXCRMYRI-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000972257823 1171892968 /nfs/dbraw/zinc/89/29/68/1171892968.db2.gz VQBQLNTXCRMYRI-BRWVUGGUSA-N 2 1 359.474 0.735 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892275609 1171957079 /nfs/dbraw/zinc/95/70/79/1171957079.db2.gz YYFTVEAYABOEET-IAGOWNOFSA-N 2 1 365.522 0.367 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248278 1172002475 /nfs/dbraw/zinc/00/24/75/1172002475.db2.gz YQAYLDRXQWDELZ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248278 1172002485 /nfs/dbraw/zinc/00/24/85/1172002485.db2.gz YQAYLDRXQWDELZ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248278 1172002488 /nfs/dbraw/zinc/00/24/88/1172002488.db2.gz YQAYLDRXQWDELZ-BPQIPLTHSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cncc1CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001083248559 1172008637 /nfs/dbraw/zinc/00/86/37/1172008637.db2.gz MUHCBBSFWYEVJP-OKZBNKHCSA-N 2 1 362.474 0.833 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249433 1172021819 /nfs/dbraw/zinc/02/18/19/1172021819.db2.gz FBTFGIOKQCLINI-ZWKOTPCHSA-N 2 1 363.502 0.811 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249395 1172022271 /nfs/dbraw/zinc/02/22/71/1172022271.db2.gz CBITUUHFMOZVLR-ZWKOTPCHSA-N 2 1 356.470 0.897 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249395 1172022282 /nfs/dbraw/zinc/02/22/82/1172022282.db2.gz CBITUUHFMOZVLR-ZWKOTPCHSA-N 2 1 356.470 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC000972417698 1172100897 /nfs/dbraw/zinc/10/08/97/1172100897.db2.gz IDOADQGEJZEKNH-VDHUWJSZSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989034404 1192632037 /nfs/dbraw/zinc/63/20/37/1192632037.db2.gz BYVZJWJYWATGJH-TWMKSMIVSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001075938658 1192824111 /nfs/dbraw/zinc/82/41/11/1192824111.db2.gz CWDLDQPPGCUUSN-BZZMCLGOSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001075938658 1192824114 /nfs/dbraw/zinc/82/41/14/1192824114.db2.gz CWDLDQPPGCUUSN-BZZMCLGOSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001075938658 1192824116 /nfs/dbraw/zinc/82/41/16/1192824116.db2.gz CWDLDQPPGCUUSN-BZZMCLGOSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)O1 ZINC001075938658 1192824117 /nfs/dbraw/zinc/82/41/17/1192824117.db2.gz CWDLDQPPGCUUSN-BZZMCLGOSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000897669441 1192840476 /nfs/dbraw/zinc/84/04/76/1192840476.db2.gz UQTBWLGQSOYNQG-DOTOQJQBSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898005881 1192853557 /nfs/dbraw/zinc/85/35/57/1192853557.db2.gz KVDNNSFZTLMYMB-IIDMSEBBSA-N 2 1 371.485 0.718 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000898069730 1192856596 /nfs/dbraw/zinc/85/65/96/1192856596.db2.gz VDRGOOSMXSYEFA-IRXDYDNUSA-N 2 1 373.501 0.967 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000842025179 1192858064 /nfs/dbraw/zinc/85/80/64/1192858064.db2.gz YWUIVGBECHWSBI-MRXNPFEDSA-N 2 1 358.442 0.816 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000898129010 1192859180 /nfs/dbraw/zinc/85/91/80/1192859180.db2.gz XLDKRAMZYLXTQH-HZPDHXFCSA-N 2 1 359.474 0.719 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842038415 1192862221 /nfs/dbraw/zinc/86/22/21/1192862221.db2.gz OANCEAVZFNLOQE-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001272199202 1192874924 /nfs/dbraw/zinc/87/49/24/1192874924.db2.gz QIUDIFPKTAIXJV-IBGZPJMESA-N 2 1 363.506 0.701 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001691570556 1192887235 /nfs/dbraw/zinc/88/72/35/1192887235.db2.gz JQECQGMYFGOTOR-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001211603601 1179730979 /nfs/dbraw/zinc/73/09/79/1179730979.db2.gz MIQPTWSWAMZINJ-OQIJWPOYSA-N 2 1 372.513 0.999 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001087246378 1179976139 /nfs/dbraw/zinc/97/61/39/1179976139.db2.gz MBZGEKRDPUCKQB-VHDGCEQUSA-N 2 1 361.446 0.213 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691479774 1180489504 /nfs/dbraw/zinc/48/95/04/1180489504.db2.gz HCPGRPJXARTUNK-BHYGNILZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691479774 1180489516 /nfs/dbraw/zinc/48/95/16/1180489516.db2.gz HCPGRPJXARTUNK-BHYGNILZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691479774 1180489531 /nfs/dbraw/zinc/48/95/31/1180489531.db2.gz HCPGRPJXARTUNK-BHYGNILZSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691479774 1180489558 /nfs/dbraw/zinc/48/95/58/1180489558.db2.gz HCPGRPJXARTUNK-BHYGNILZSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738769 1180688213 /nfs/dbraw/zinc/68/82/13/1180688213.db2.gz GVUIGTSZNRKCCA-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738769 1180688236 /nfs/dbraw/zinc/68/82/36/1180688236.db2.gz GVUIGTSZNRKCCA-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024037997 1180805786 /nfs/dbraw/zinc/80/57/86/1180805786.db2.gz DOTGQSMHUXJBJN-BRWVUGGUSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024037997 1180805787 /nfs/dbraw/zinc/80/57/87/1180805787.db2.gz DOTGQSMHUXJBJN-BRWVUGGUSA-N 2 1 363.506 0.950 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001024039230 1180806611 /nfs/dbraw/zinc/80/66/11/1180806611.db2.gz RRVHCZUWONXSAJ-IIAWOOMASA-N 2 1 366.462 0.731 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001024039230 1180806615 /nfs/dbraw/zinc/80/66/15/1180806615.db2.gz RRVHCZUWONXSAJ-IIAWOOMASA-N 2 1 366.462 0.731 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001024137278 1180865977 /nfs/dbraw/zinc/86/59/77/1180865977.db2.gz JWMVOAZCUYMKGM-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001024492772 1181241255 /nfs/dbraw/zinc/24/12/55/1181241255.db2.gz JEMCZSRVXZGFGJ-HZPDHXFCSA-N 2 1 368.397 0.070 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001024503989 1181254514 /nfs/dbraw/zinc/25/45/14/1181254514.db2.gz MYEMEDSZORZSHG-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCCC2=O)O1 ZINC001024505485 1181258797 /nfs/dbraw/zinc/25/87/97/1181258797.db2.gz DVKXOOUANYEZIT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCCC2=O)O1 ZINC001024505485 1181258804 /nfs/dbraw/zinc/25/88/04/1181258804.db2.gz DVKXOOUANYEZIT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCCC2=O)O1 ZINC001024505485 1181258806 /nfs/dbraw/zinc/25/88/06/1181258806.db2.gz DVKXOOUANYEZIT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCN2CCCC2=O)O1 ZINC001024505485 1181258812 /nfs/dbraw/zinc/25/88/12/1181258812.db2.gz DVKXOOUANYEZIT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCCC2=O)O1 ZINC001024505485 1181258815 /nfs/dbraw/zinc/25/88/15/1181258815.db2.gz DVKXOOUANYEZIT-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@@H+]1C ZINC000947249680 1181510718 /nfs/dbraw/zinc/51/07/18/1181510718.db2.gz LMKFTDZSTFLSFI-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC000947249680 1181510726 /nfs/dbraw/zinc/51/07/26/1181510726.db2.gz LMKFTDZSTFLSFI-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000947249680 1181510732 /nfs/dbraw/zinc/51/07/32/1181510732.db2.gz LMKFTDZSTFLSFI-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000947249680 1181510746 /nfs/dbraw/zinc/51/07/46/1181510746.db2.gz LMKFTDZSTFLSFI-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947250204 1181660523 /nfs/dbraw/zinc/66/05/23/1181660523.db2.gz RJHZMQMIDPKKQM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250204 1181660532 /nfs/dbraw/zinc/66/05/32/1181660532.db2.gz RJHZMQMIDPKKQM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000947250204 1181660536 /nfs/dbraw/zinc/66/05/36/1181660536.db2.gz RJHZMQMIDPKKQM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000947250204 1181660542 /nfs/dbraw/zinc/66/05/42/1181660542.db2.gz RJHZMQMIDPKKQM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947250204 1181660553 /nfs/dbraw/zinc/66/05/53/1181660553.db2.gz RJHZMQMIDPKKQM-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024864109 1181703827 /nfs/dbraw/zinc/70/38/27/1181703827.db2.gz NBWASZIFIVJMFZ-IAOVAPTHSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)C2)C1 ZINC000892520712 1181713673 /nfs/dbraw/zinc/71/36/73/1181713673.db2.gz RYXQHOMMHSOYEP-LJQANCHMSA-N 2 1 369.473 0.963 20 0 FCADMP [NH3+]Cc1cn(-c2cccc(CNC(=O)N3CC[NH+](C4CC4)CC3)c2)nn1 ZINC000892528562 1181742943 /nfs/dbraw/zinc/74/29/43/1181742943.db2.gz MLURGOZZTROMIP-UHFFFAOYSA-N 2 1 355.446 0.716 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000947251704 1181838195 /nfs/dbraw/zinc/83/81/95/1181838195.db2.gz XZWOGZVUNRQZBU-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000947251704 1181838197 /nfs/dbraw/zinc/83/81/97/1181838197.db2.gz XZWOGZVUNRQZBU-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000947251704 1181838199 /nfs/dbraw/zinc/83/81/99/1181838199.db2.gz XZWOGZVUNRQZBU-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000947251704 1181838205 /nfs/dbraw/zinc/83/82/05/1181838205.db2.gz XZWOGZVUNRQZBU-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ncn1 ZINC001025002235 1181848169 /nfs/dbraw/zinc/84/81/69/1181848169.db2.gz ZGQHKDCRZNCZKN-KBAYOESNSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ncn1 ZINC001025002235 1181848170 /nfs/dbraw/zinc/84/81/70/1181848170.db2.gz ZGQHKDCRZNCZKN-KBAYOESNSA-N 2 1 361.490 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC[N@H+]1C ZINC000972990572 1181852320 /nfs/dbraw/zinc/85/23/20/1181852320.db2.gz YUDSYHARBUDDPU-VDHUWJSZSA-N 2 1 362.518 0.728 20 0 FCADMP O=C(Cn1ccnc1)N1C[C@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@H]21 ZINC000973000642 1181876296 /nfs/dbraw/zinc/87/62/96/1181876296.db2.gz VXXYODVNNFRSCZ-RHSMWYFYSA-N 2 1 364.409 0.904 20 0 FCADMP COCCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001104621421 1182290934 /nfs/dbraw/zinc/29/09/34/1182290934.db2.gz DKPADUGOFNCKPY-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000973413506 1182291419 /nfs/dbraw/zinc/29/14/19/1182291419.db2.gz LSAAEUOCXWNRNC-KLHDSHLOSA-N 2 1 364.490 0.097 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000973413506 1182291424 /nfs/dbraw/zinc/29/14/24/1182291424.db2.gz LSAAEUOCXWNRNC-KLHDSHLOSA-N 2 1 364.490 0.097 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000973550417 1182380883 /nfs/dbraw/zinc/38/08/83/1182380883.db2.gz KTFZDYLTEXOUPJ-OXGONZEZSA-N 2 1 359.474 0.629 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001112020753 1182384880 /nfs/dbraw/zinc/38/48/80/1182384880.db2.gz YVRJESUZJVFPMY-LPHOPBHVSA-N 2 1 359.474 0.866 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1CN(CC(=O)N1CCC1)C2 ZINC001112020753 1182384885 /nfs/dbraw/zinc/38/48/85/1182384885.db2.gz YVRJESUZJVFPMY-LPHOPBHVSA-N 2 1 359.474 0.866 20 0 FCADMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021647 1182390422 /nfs/dbraw/zinc/39/04/22/1182390422.db2.gz YTHIXKAHICVMDS-UEXGIBASSA-N 2 1 370.497 0.978 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021647 1182390425 /nfs/dbraw/zinc/39/04/25/1182390425.db2.gz YTHIXKAHICVMDS-UEXGIBASSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021647 1182390426 /nfs/dbraw/zinc/39/04/26/1182390426.db2.gz YTHIXKAHICVMDS-UEXGIBASSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021647 1182390427 /nfs/dbraw/zinc/39/04/27/1182390427.db2.gz YTHIXKAHICVMDS-UEXGIBASSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000892754303 1182474747 /nfs/dbraw/zinc/47/47/47/1182474747.db2.gz ABQHITKHIYUIER-SJORKVTESA-N 2 1 359.474 0.896 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000892766449 1182485279 /nfs/dbraw/zinc/48/52/79/1182485279.db2.gz LEJKJNWRONHFME-JKSUJKDBSA-N 2 1 368.522 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC[C@H]4C)C[C@H]32)CC[N@H+]1C ZINC001025793292 1182844935 /nfs/dbraw/zinc/84/49/35/1182844935.db2.gz DIFDGGPZDMRGFS-CFHZMDMSSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC[C@H]4C)C[C@H]32)CC[NH+]1C ZINC001025793292 1182844936 /nfs/dbraw/zinc/84/49/36/1182844936.db2.gz DIFDGGPZDMRGFS-CFHZMDMSSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC[C@H]4C)C[C@H]32)CC[NH+]1C ZINC001025793292 1182844939 /nfs/dbraw/zinc/84/49/39/1182844939.db2.gz DIFDGGPZDMRGFS-CFHZMDMSSA-N 2 1 362.518 0.774 20 0 FCADMP Cc1cnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001025818273 1182859416 /nfs/dbraw/zinc/85/94/16/1182859416.db2.gz NCQFAMYOBHAPNX-GKJLGGESSA-N 2 1 359.474 0.612 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104796047 1182925012 /nfs/dbraw/zinc/92/50/12/1182925012.db2.gz GGEFSPOTPVXZCP-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104932905 1183006735 /nfs/dbraw/zinc/00/67/35/1183006735.db2.gz VCKMIQQDQPMPEY-BZUAXINKSA-N 2 1 366.506 0.598 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1 ZINC001104938625 1183012687 /nfs/dbraw/zinc/01/26/87/1183012687.db2.gz YGXSJNFOUWOIDL-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1CCNCc1nncn1C ZINC001104966911 1183025709 /nfs/dbraw/zinc/02/57/09/1183025709.db2.gz KJHFHXSKIBEQMJ-HUUCEWRRSA-N 2 1 359.478 0.756 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001105042579 1183089342 /nfs/dbraw/zinc/08/93/42/1183089342.db2.gz XPPJPFDMYBGOPE-INMHGKMJSA-N 2 1 364.494 0.110 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC000974546770 1183322582 /nfs/dbraw/zinc/32/25/82/1183322582.db2.gz YNDNQSULPIITRY-NUJGCVRESA-N 2 1 361.490 0.837 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001026916171 1183490699 /nfs/dbraw/zinc/49/06/99/1183490699.db2.gz CHTWCHYKIBZKIW-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001026916171 1183490705 /nfs/dbraw/zinc/49/07/05/1183490705.db2.gz CHTWCHYKIBZKIW-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000975414807 1183860034 /nfs/dbraw/zinc/86/00/34/1183860034.db2.gz RASSOKMHOMCBOY-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975620086 1183956592 /nfs/dbraw/zinc/95/65/92/1183956592.db2.gz KSWJJTXUDKCTSC-ULQDDVLXSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC000975622467 1183988747 /nfs/dbraw/zinc/98/87/47/1183988747.db2.gz GCSFFMZRBLWLKT-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC000975622467 1183988754 /nfs/dbraw/zinc/98/87/54/1183988754.db2.gz GCSFFMZRBLWLKT-BBWFWOEESA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975720120 1185645191 /nfs/dbraw/zinc/64/51/91/1185645191.db2.gz QDQABMZREQQGMB-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000975720120 1185645198 /nfs/dbraw/zinc/64/51/98/1185645198.db2.gz QDQABMZREQQGMB-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000975816051 1185808884 /nfs/dbraw/zinc/80/88/84/1185808884.db2.gz KUYCHBSQLFSGSK-BZSNNMDCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)CC[N@H+]1C ZINC000975817870 1185810432 /nfs/dbraw/zinc/81/04/32/1185810432.db2.gz AQLCQOKXSAUITC-XDNAFOTISA-N 2 1 374.529 0.872 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978874809 1186023134 /nfs/dbraw/zinc/02/31/34/1186023134.db2.gz NOJIPPFNIBRWDC-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978874809 1186023142 /nfs/dbraw/zinc/02/31/42/1186023142.db2.gz NOJIPPFNIBRWDC-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978874809 1186023144 /nfs/dbraw/zinc/02/31/44/1186023144.db2.gz NOJIPPFNIBRWDC-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978874809 1186023148 /nfs/dbraw/zinc/02/31/48/1186023148.db2.gz NOJIPPFNIBRWDC-UUAJXVIYSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979862750 1186127280 /nfs/dbraw/zinc/12/72/80/1186127280.db2.gz NOJIPPFNIBRWDC-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979862750 1186127283 /nfs/dbraw/zinc/12/72/83/1186127283.db2.gz NOJIPPFNIBRWDC-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000979862750 1186127291 /nfs/dbraw/zinc/12/72/91/1186127291.db2.gz NOJIPPFNIBRWDC-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000979862750 1186127297 /nfs/dbraw/zinc/12/72/97/1186127297.db2.gz NOJIPPFNIBRWDC-HHARLNAUSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)C2 ZINC001112530531 1186136273 /nfs/dbraw/zinc/13/62/73/1186136273.db2.gz YXCDQIXYLVKGOE-VCBZYWHSSA-N 2 1 359.474 0.458 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027965847 1186243283 /nfs/dbraw/zinc/24/32/83/1186243283.db2.gz GMMXHOFYMKGPKY-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027965847 1186243287 /nfs/dbraw/zinc/24/32/87/1186243287.db2.gz GMMXHOFYMKGPKY-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965847 1186243293 /nfs/dbraw/zinc/24/32/93/1186243293.db2.gz GMMXHOFYMKGPKY-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965847 1186243298 /nfs/dbraw/zinc/24/32/98/1186243298.db2.gz GMMXHOFYMKGPKY-XOKHGSTOSA-N 2 1 364.494 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCN(C)C2=O)C3)CC[N@H+]1C ZINC000981778318 1186519445 /nfs/dbraw/zinc/51/94/45/1186519445.db2.gz HKHXOLZBNCXUTP-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)NC4CC4)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283666 1186698326 /nfs/dbraw/zinc/69/83/26/1186698326.db2.gz WNVFOQBFJHIUSD-FCNFAXOHSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NC4CC4)C[C@]3(C)C2)CC[NH+]1C ZINC000982283666 1186698327 /nfs/dbraw/zinc/69/83/27/1186698327.db2.gz WNVFOQBFJHIUSD-FCNFAXOHSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)NC4CC4)C[C@]3(C)C2)CC[NH+]1C ZINC000982283666 1186698328 /nfs/dbraw/zinc/69/83/28/1186698328.db2.gz WNVFOQBFJHIUSD-FCNFAXOHSA-N 2 1 362.518 0.776 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720513 1187466270 /nfs/dbraw/zinc/46/62/70/1187466270.db2.gz JXAAOGNSEVPQID-FGTMMUONSA-N 2 1 358.486 0.658 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001028552076 1187604427 /nfs/dbraw/zinc/60/44/27/1187604427.db2.gz FVGLVANAIVUVAE-SOUVJXGZSA-N 2 1 363.462 0.782 20 0 FCADMP COc1ccnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001028629468 1187758826 /nfs/dbraw/zinc/75/88/26/1187758826.db2.gz MXWHGNMRTTZCTA-RVKKMQEKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001028629468 1187758829 /nfs/dbraw/zinc/75/88/29/1187758829.db2.gz MXWHGNMRTTZCTA-RVKKMQEKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001028629468 1187758833 /nfs/dbraw/zinc/75/88/33/1187758833.db2.gz MXWHGNMRTTZCTA-RVKKMQEKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001028629468 1187758835 /nfs/dbraw/zinc/75/88/35/1187758835.db2.gz MXWHGNMRTTZCTA-RVKKMQEKSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629805 1187758993 /nfs/dbraw/zinc/75/89/93/1187758993.db2.gz SVVBDVJVZHUWOE-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629805 1187758995 /nfs/dbraw/zinc/75/89/95/1187758995.db2.gz SVVBDVJVZHUWOE-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629805 1187758997 /nfs/dbraw/zinc/75/89/97/1187758997.db2.gz SVVBDVJVZHUWOE-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629805 1187758999 /nfs/dbraw/zinc/75/89/99/1187758999.db2.gz SVVBDVJVZHUWOE-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000983037054 1187819064 /nfs/dbraw/zinc/81/90/64/1187819064.db2.gz HPQBNVNFAYAUQC-QBPKDAKJSA-N 2 1 368.522 0.401 20 0 FCADMP CC(=O)Nc1ccc(C[NH+]2CC3(CN(C(=O)CN(C)C(N)=[NH2+])C3)C2)cc1 ZINC001269992255 1187961342 /nfs/dbraw/zinc/96/13/42/1187961342.db2.gz DOIYYYJIKHYTNS-UHFFFAOYSA-N 2 1 358.446 0.114 20 0 FCADMP O=C(C[NH+](CCO)CCO)N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001270176309 1188042161 /nfs/dbraw/zinc/04/21/61/1188042161.db2.gz XKQWQJVZGZQUNI-MOPGFXCFSA-N 2 1 364.490 0.353 20 0 FCADMP C[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CCn4ccnc4)C3=O)C2)C1 ZINC001270334012 1188099159 /nfs/dbraw/zinc/09/91/59/1188099159.db2.gz WHQYBLLREGQYLB-VQIMIIECSA-N 2 1 359.474 0.676 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332611 1188101532 /nfs/dbraw/zinc/10/15/32/1188101532.db2.gz KMGKVLBJBZNPNV-KXBFYZLASA-N 2 1 364.490 0.258 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469621 1188212233 /nfs/dbraw/zinc/21/22/33/1188212233.db2.gz NKIIFECLXXHARI-DJIMGWMZSA-N 2 1 362.449 0.537 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095014 1188223103 /nfs/dbraw/zinc/22/31/03/1188223103.db2.gz HXGKMOXMIHZLLU-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550095014 1188223107 /nfs/dbraw/zinc/22/31/07/1188223107.db2.gz HXGKMOXMIHZLLU-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[NH+](C)C[C@@H]3C1)C2 ZINC000894788673 1188250764 /nfs/dbraw/zinc/25/07/64/1188250764.db2.gz VYZOOLDZJZOIAR-DJSILETISA-N 2 1 363.506 0.273 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[N@@H+](C)C[C@@H]3C1)C2 ZINC000894788673 1188250766 /nfs/dbraw/zinc/25/07/66/1188250766.db2.gz VYZOOLDZJZOIAR-DJSILETISA-N 2 1 363.506 0.273 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[N@H+](C)C[C@@H]3C1)C2 ZINC000894788673 1188250768 /nfs/dbraw/zinc/25/07/68/1188250768.db2.gz VYZOOLDZJZOIAR-DJSILETISA-N 2 1 363.506 0.273 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983676811 1188255314 /nfs/dbraw/zinc/25/53/14/1188255314.db2.gz ZBTNQZCAJWUNLE-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000550377860 1188343445 /nfs/dbraw/zinc/34/34/45/1188343445.db2.gz YLWVPYQACPOPNT-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000550377860 1188343447 /nfs/dbraw/zinc/34/34/47/1188343447.db2.gz YLWVPYQACPOPNT-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000983917422 1188396291 /nfs/dbraw/zinc/39/62/91/1188396291.db2.gz IZRRTRWIDLSNLM-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000983917422 1188396295 /nfs/dbraw/zinc/39/62/95/1188396295.db2.gz IZRRTRWIDLSNLM-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799008 1189364700 /nfs/dbraw/zinc/36/47/00/1189364700.db2.gz YBBJSMJPJZGRNQ-RYQLBKOJSA-N 2 1 358.490 0.673 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799008 1189364701 /nfs/dbraw/zinc/36/47/01/1189364701.db2.gz YBBJSMJPJZGRNQ-RYQLBKOJSA-N 2 1 358.490 0.673 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984012241 1189371035 /nfs/dbraw/zinc/37/10/35/1189371035.db2.gz DZCUKAWNIVQXLI-KLHDSHLOSA-N 2 1 364.494 0.563 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984012241 1189371039 /nfs/dbraw/zinc/37/10/39/1189371039.db2.gz DZCUKAWNIVQXLI-KLHDSHLOSA-N 2 1 364.494 0.563 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000984014607 1189371974 /nfs/dbraw/zinc/37/19/74/1189371974.db2.gz NEAGUMBYZCJHCE-MWQQHZPXSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000984014607 1189371977 /nfs/dbraw/zinc/37/19/77/1189371977.db2.gz NEAGUMBYZCJHCE-MWQQHZPXSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H](O)Cn2cccn2)CC[N@H+]1C ZINC001029313561 1189374227 /nfs/dbraw/zinc/37/42/27/1189374227.db2.gz GAUGAVYNQAZDEE-UYTYNIKBSA-N 2 1 361.490 0.259 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)Cn2cccn2)CC[NH+]1C ZINC001029313561 1189374231 /nfs/dbraw/zinc/37/42/31/1189374231.db2.gz GAUGAVYNQAZDEE-UYTYNIKBSA-N 2 1 361.490 0.259 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](O)Cn2cccn2)CC[NH+]1C ZINC001029313561 1189374238 /nfs/dbraw/zinc/37/42/38/1189374238.db2.gz GAUGAVYNQAZDEE-UYTYNIKBSA-N 2 1 361.490 0.259 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCc1cnn(CC)c1 ZINC001087529646 1189383508 /nfs/dbraw/zinc/38/35/08/1189383508.db2.gz OMYYDYDOGULNFX-RCCFBDPRSA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCc1cnn(CC)c1 ZINC001087529646 1189383513 /nfs/dbraw/zinc/38/35/13/1189383513.db2.gz OMYYDYDOGULNFX-RCCFBDPRSA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCc1cnn(CC)c1 ZINC001087529646 1189383520 /nfs/dbraw/zinc/38/35/20/1189383520.db2.gz OMYYDYDOGULNFX-RCCFBDPRSA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCc1cnn(CC)c1 ZINC001087529646 1189383533 /nfs/dbraw/zinc/38/35/33/1189383533.db2.gz OMYYDYDOGULNFX-RCCFBDPRSA-N 2 1 363.506 0.745 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550458519 1189504091 /nfs/dbraw/zinc/50/40/91/1189504091.db2.gz ZDFDIAFVCJANNB-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)CC[N@H+]1CC(=O)N(C)C ZINC001087580981 1189623103 /nfs/dbraw/zinc/62/31/03/1189623103.db2.gz JDKJSZDINAKUFP-JKSUJKDBSA-N 2 1 361.490 0.819 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)CCN1CC(=O)N(C)C ZINC001087580981 1189623110 /nfs/dbraw/zinc/62/31/10/1189623110.db2.gz JDKJSZDINAKUFP-JKSUJKDBSA-N 2 1 361.490 0.819 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144043 1189815253 /nfs/dbraw/zinc/81/52/53/1189815253.db2.gz RNYDEQZDBHZUDC-APWZRJJASA-N 2 1 359.474 0.855 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1=O ZINC001271144043 1189815254 /nfs/dbraw/zinc/81/52/54/1189815254.db2.gz RNYDEQZDBHZUDC-APWZRJJASA-N 2 1 359.474 0.855 20 0 FCADMP C[NH+]1CCC2(CCN2C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000895297884 1189824592 /nfs/dbraw/zinc/82/45/92/1189824592.db2.gz DZUYZJKPYUOSHS-UHFFFAOYSA-N 2 1 366.506 0.748 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087797606 1189827904 /nfs/dbraw/zinc/82/79/04/1189827904.db2.gz YGVYDMCSWRYAMS-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087797606 1189827905 /nfs/dbraw/zinc/82/79/05/1189827905.db2.gz YGVYDMCSWRYAMS-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000895333998 1189836231 /nfs/dbraw/zinc/83/62/31/1189836231.db2.gz NUEJZDYLILEHKM-KRWDZBQOSA-N 2 1 367.538 0.424 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895851934 1189887749 /nfs/dbraw/zinc/88/77/49/1189887749.db2.gz ZVHGOCDERJUIFW-KZNAEPCWSA-N 2 1 366.506 0.480 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908684 1189894298 /nfs/dbraw/zinc/89/42/98/1189894298.db2.gz KHHAAIDRIVSRNV-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908684 1189894299 /nfs/dbraw/zinc/89/42/99/1189894299.db2.gz KHHAAIDRIVSRNV-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001087908684 1189894302 /nfs/dbraw/zinc/89/43/02/1189894302.db2.gz KHHAAIDRIVSRNV-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908956 1189895328 /nfs/dbraw/zinc/89/53/28/1189895328.db2.gz UEHBWNPHHVMVEY-PMPSAXMXSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908956 1189895330 /nfs/dbraw/zinc/89/53/30/1189895330.db2.gz UEHBWNPHHVMVEY-PMPSAXMXSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908956 1189895333 /nfs/dbraw/zinc/89/53/33/1189895333.db2.gz UEHBWNPHHVMVEY-PMPSAXMXSA-N 2 1 362.474 0.010 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963794 1190008816 /nfs/dbraw/zinc/00/88/16/1190008816.db2.gz IDBLFSQQUKEUJU-RYRKJORJSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963794 1190008824 /nfs/dbraw/zinc/00/88/24/1190008824.db2.gz IDBLFSQQUKEUJU-RYRKJORJSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963794 1190008830 /nfs/dbraw/zinc/00/88/30/1190008830.db2.gz IDBLFSQQUKEUJU-RYRKJORJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467453 1190062316 /nfs/dbraw/zinc/06/23/16/1190062316.db2.gz DGOIWCWVXOQYBR-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896467453 1190062319 /nfs/dbraw/zinc/06/23/19/1190062319.db2.gz DGOIWCWVXOQYBR-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896467453 1190062322 /nfs/dbraw/zinc/06/23/22/1190062322.db2.gz DGOIWCWVXOQYBR-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994794 1190148603 /nfs/dbraw/zinc/14/86/03/1190148603.db2.gz CISSJCAJQOCIKN-XHSDSOJGSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994794 1190148605 /nfs/dbraw/zinc/14/86/05/1190148605.db2.gz CISSJCAJQOCIKN-XHSDSOJGSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994794 1190148607 /nfs/dbraw/zinc/14/86/07/1190148607.db2.gz CISSJCAJQOCIKN-XHSDSOJGSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999227 1190169334 /nfs/dbraw/zinc/16/93/34/1190169334.db2.gz BVAYPLHOMHWTNW-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999227 1190169336 /nfs/dbraw/zinc/16/93/36/1190169336.db2.gz BVAYPLHOMHWTNW-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087999227 1190169339 /nfs/dbraw/zinc/16/93/39/1190169339.db2.gz BVAYPLHOMHWTNW-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042651 1190301942 /nfs/dbraw/zinc/30/19/42/1190301942.db2.gz AZLSGZYHAJYUCY-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042651 1190301946 /nfs/dbraw/zinc/30/19/46/1190301946.db2.gz AZLSGZYHAJYUCY-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088126060 1190619285 /nfs/dbraw/zinc/61/92/85/1190619285.db2.gz MOPCCHGBPMEVEO-CVEARBPZSA-N 2 1 361.490 0.875 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088126060 1190619289 /nfs/dbraw/zinc/61/92/89/1190619289.db2.gz MOPCCHGBPMEVEO-CVEARBPZSA-N 2 1 361.490 0.875 20 0 FCADMP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896989511 1190668161 /nfs/dbraw/zinc/66/81/61/1190668161.db2.gz UJSKPCDIPLDSQI-LJQANCHMSA-N 2 1 364.534 0.724 20 0 FCADMP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000896989511 1190668162 /nfs/dbraw/zinc/66/81/62/1190668162.db2.gz UJSKPCDIPLDSQI-LJQANCHMSA-N 2 1 364.534 0.724 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059679353 1190870448 /nfs/dbraw/zinc/87/04/48/1190870448.db2.gz HFRATHDASNEVRU-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059679353 1190870451 /nfs/dbraw/zinc/87/04/51/1190870451.db2.gz HFRATHDASNEVRU-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1 ZINC000986125306 1190898654 /nfs/dbraw/zinc/89/86/54/1190898654.db2.gz AROZFPLJZUXBHI-SQNIBIBYSA-N 2 1 362.518 0.587 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986129641 1190900545 /nfs/dbraw/zinc/90/05/45/1190900545.db2.gz BVFNMNBOIMWSHH-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986259441 1190935853 /nfs/dbraw/zinc/93/58/53/1190935853.db2.gz AJWLZLAQZPNKKE-XDNAFOTISA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1)[NH+](C)C ZINC000986322424 1190955037 /nfs/dbraw/zinc/95/50/37/1190955037.db2.gz YCLHRIGHNZCRLM-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CCc1nnn(C(C)(C)C)n1 ZINC001088493351 1191008045 /nfs/dbraw/zinc/00/80/45/1191008045.db2.gz IIZJYMQSBQNPHY-QLFBSQMISA-N 2 1 363.510 0.644 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088505694 1191061871 /nfs/dbraw/zinc/06/18/71/1191061871.db2.gz REBURMNCEVSEBV-COXVUDFISA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1Cc1ccc(C(N)=O)cc1 ZINC001088505694 1191061878 /nfs/dbraw/zinc/06/18/78/1191061878.db2.gz REBURMNCEVSEBV-COXVUDFISA-N 2 1 360.458 0.195 20 0 FCADMP CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001276762432 1224128401 /nfs/dbraw/zinc/12/84/01/1224128401.db2.gz LEQQMSVDMOQCKX-BEFAXECRSA-N 2 1 364.490 0.400 20 0 FCADMP CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001276762433 1224128589 /nfs/dbraw/zinc/12/85/89/1224128589.db2.gz LEQQMSVDMOQCKX-DNVCBOLYSA-N 2 1 364.490 0.400 20 0 FCADMP C[C@@H]1CN(CCNC(=O)N2CCC(CCN3CCOCC3)CC2)CCO1 ZINC000729604982 1191119592 /nfs/dbraw/zinc/11/95/92/1191119592.db2.gz DNBMSYWWFKZGDK-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860663 1224129129 /nfs/dbraw/zinc/12/91/29/1224129129.db2.gz GHHPKFYSXYEADE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860663 1224129131 /nfs/dbraw/zinc/12/91/31/1224129131.db2.gz GHHPKFYSXYEADE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860663 1224129134 /nfs/dbraw/zinc/12/91/34/1224129134.db2.gz GHHPKFYSXYEADE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860663 1224129136 /nfs/dbraw/zinc/12/91/36/1224129136.db2.gz GHHPKFYSXYEADE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)N(C)C(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933103 1224132556 /nfs/dbraw/zinc/13/25/56/1224132556.db2.gz RHDOSCPDEKDYKX-WCXIOVBPSA-N 2 1 366.506 0.105 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000897476189 1191215058 /nfs/dbraw/zinc/21/50/58/1191215058.db2.gz MJRMGBYDLFQHKP-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000897476189 1191215061 /nfs/dbraw/zinc/21/50/61/1191215061.db2.gz MJRMGBYDLFQHKP-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000897476189 1191215065 /nfs/dbraw/zinc/21/50/65/1191215065.db2.gz MJRMGBYDLFQHKP-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001218101021 1224140215 /nfs/dbraw/zinc/14/02/15/1224140215.db2.gz GKYAZFIUFUCDDB-OKZBNKHCSA-N 2 1 369.506 0.170 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001218101021 1224140216 /nfs/dbraw/zinc/14/02/16/1224140216.db2.gz GKYAZFIUFUCDDB-OKZBNKHCSA-N 2 1 369.506 0.170 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218101021 1224140217 /nfs/dbraw/zinc/14/02/17/1224140217.db2.gz GKYAZFIUFUCDDB-OKZBNKHCSA-N 2 1 369.506 0.170 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218101021 1224140218 /nfs/dbraw/zinc/14/02/18/1224140218.db2.gz GKYAZFIUFUCDDB-OKZBNKHCSA-N 2 1 369.506 0.170 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162012 1224144256 /nfs/dbraw/zinc/14/42/56/1224144256.db2.gz LIEMVFSSPMEYAY-XMTFNYHQSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162012 1224144260 /nfs/dbraw/zinc/14/42/60/1224144260.db2.gz LIEMVFSSPMEYAY-XMTFNYHQSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162012 1224144262 /nfs/dbraw/zinc/14/42/62/1224144262.db2.gz LIEMVFSSPMEYAY-XMTFNYHQSA-N 2 1 369.506 0.434 20 0 FCADMP COCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162012 1224144264 /nfs/dbraw/zinc/14/42/64/1224144264.db2.gz LIEMVFSSPMEYAY-XMTFNYHQSA-N 2 1 369.506 0.434 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CC1 ZINC001218306601 1224153196 /nfs/dbraw/zinc/15/31/96/1224153196.db2.gz ONMJDFKAZQQOMJ-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)C1CC1 ZINC001218306601 1224153200 /nfs/dbraw/zinc/15/32/00/1224153200.db2.gz ONMJDFKAZQQOMJ-RCCFBDPRSA-N 2 1 362.474 0.918 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001691584523 1193739313 /nfs/dbraw/zinc/73/93/13/1193739313.db2.gz FQKZEETVZJMIKC-IKGGRYGDSA-N 2 1 350.507 0.635 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001691584523 1193739315 /nfs/dbraw/zinc/73/93/15/1193739315.db2.gz FQKZEETVZJMIKC-IKGGRYGDSA-N 2 1 350.507 0.635 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4cnc(C)n4C3)[C@H]2C1 ZINC001218535631 1224168569 /nfs/dbraw/zinc/16/85/69/1224168569.db2.gz CROGCOCAGAMHHK-BPQIPLTHSA-N 2 1 362.474 0.702 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001218535631 1224168573 /nfs/dbraw/zinc/16/85/73/1224168573.db2.gz CROGCOCAGAMHHK-BPQIPLTHSA-N 2 1 362.474 0.702 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001218535631 1224168579 /nfs/dbraw/zinc/16/85/79/1224168579.db2.gz CROGCOCAGAMHHK-BPQIPLTHSA-N 2 1 362.474 0.702 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550881126 1193817201 /nfs/dbraw/zinc/81/72/01/1193817201.db2.gz VOXJKJXSPNEXIM-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000551018564 1193827326 /nfs/dbraw/zinc/82/73/26/1193827326.db2.gz CDRWFSDYHLJIJQ-UHFFFAOYSA-N 2 1 365.478 0.315 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)cn1 ZINC001218550587 1224171711 /nfs/dbraw/zinc/17/17/11/1224171711.db2.gz FXLKKAVXWVHWTQ-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088748681 1193882619 /nfs/dbraw/zinc/88/26/19/1193882619.db2.gz QSICZYXIVJJKJB-DOMZBBRYSA-N 2 1 370.413 0.079 20 0 FCADMP Cc1cnc(CN2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756961 1193890730 /nfs/dbraw/zinc/89/07/30/1193890730.db2.gz BNNLALJEZLBIBJ-ADVWOHTOSA-N 2 1 371.485 0.727 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1Cc1ccn(C)n1 ZINC001088757371 1193892368 /nfs/dbraw/zinc/89/23/68/1193892368.db2.gz VXEGTOJSHJAJLR-KDEDCYCISA-N 2 1 359.474 0.362 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000552487033 1193936195 /nfs/dbraw/zinc/93/61/95/1193936195.db2.gz FJSGEHJNDNRKFQ-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000552487033 1193936197 /nfs/dbraw/zinc/93/61/97/1193936197.db2.gz FJSGEHJNDNRKFQ-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487033 1193936199 /nfs/dbraw/zinc/93/61/99/1193936199.db2.gz FJSGEHJNDNRKFQ-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000552487033 1193936202 /nfs/dbraw/zinc/93/62/02/1193936202.db2.gz FJSGEHJNDNRKFQ-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000552630888 1193944632 /nfs/dbraw/zinc/94/46/32/1193944632.db2.gz KSGBCAFHSNWJDB-KRWDZBQOSA-N 2 1 366.506 0.015 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105668617 1193953391 /nfs/dbraw/zinc/95/33/91/1193953391.db2.gz XZSMQCHDSNDAIR-LTDCPUDJSA-N 2 1 368.522 0.170 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075995105 1193953745 /nfs/dbraw/zinc/95/37/45/1193953745.db2.gz ZGVLDJJXHBLWFJ-NUEKZKHPSA-N 2 1 367.409 0.286 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000552882068 1193957368 /nfs/dbraw/zinc/95/73/68/1193957368.db2.gz CFJHMQAWXVBWGF-CVEARBPZSA-N 2 1 370.538 0.554 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000552907342 1193958140 /nfs/dbraw/zinc/95/81/40/1193958140.db2.gz CBOKOINCSKWPHT-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000553035518 1193966522 /nfs/dbraw/zinc/96/65/22/1193966522.db2.gz LGDVMZMWEDDDQC-HNNXBMFYSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000553035518 1193966523 /nfs/dbraw/zinc/96/65/23/1193966523.db2.gz LGDVMZMWEDDDQC-HNNXBMFYSA-N 2 1 359.474 0.638 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000553353449 1193991254 /nfs/dbraw/zinc/99/12/54/1193991254.db2.gz ABEZJXUJQMPXFU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000553353449 1193991258 /nfs/dbraw/zinc/99/12/58/1193991258.db2.gz ABEZJXUJQMPXFU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000553353449 1193991261 /nfs/dbraw/zinc/99/12/61/1193991261.db2.gz ABEZJXUJQMPXFU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000553353449 1193991265 /nfs/dbraw/zinc/99/12/65/1193991265.db2.gz ABEZJXUJQMPXFU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000553366016 1193992615 /nfs/dbraw/zinc/99/26/15/1193992615.db2.gz FEBPLJUHMOCGAU-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000553735203 1194018498 /nfs/dbraw/zinc/01/84/98/1194018498.db2.gz QSQULYPCYSZQKP-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000553735203 1194018500 /nfs/dbraw/zinc/01/85/00/1194018500.db2.gz QSQULYPCYSZQKP-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000553735203 1194018504 /nfs/dbraw/zinc/01/85/04/1194018504.db2.gz QSQULYPCYSZQKP-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP CN(C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000842165834 1194073234 /nfs/dbraw/zinc/07/32/34/1194073234.db2.gz GKJOYFBGZYVMQX-UHFFFAOYSA-N 2 1 358.486 0.889 20 0 FCADMP CN(C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000842165834 1194073235 /nfs/dbraw/zinc/07/32/35/1194073235.db2.gz GKJOYFBGZYVMQX-UHFFFAOYSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191462 1194086398 /nfs/dbraw/zinc/08/63/98/1194086398.db2.gz XVKNSSOBQVDQPV-XLIONFOSSA-N 2 1 358.486 0.822 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228723 1194108274 /nfs/dbraw/zinc/10/82/74/1194108274.db2.gz AUHAACCUCYCYCT-GOSISDBHSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088816507 1194119722 /nfs/dbraw/zinc/11/97/22/1194119722.db2.gz FPEWMNMFFCBBQJ-YVSFHVDLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088816507 1194119729 /nfs/dbraw/zinc/11/97/29/1194119729.db2.gz FPEWMNMFFCBBQJ-YVSFHVDLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088816507 1194119737 /nfs/dbraw/zinc/11/97/37/1194119737.db2.gz FPEWMNMFFCBBQJ-YVSFHVDLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088816507 1194119740 /nfs/dbraw/zinc/11/97/40/1194119740.db2.gz FPEWMNMFFCBBQJ-YVSFHVDLSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000899229606 1194122573 /nfs/dbraw/zinc/12/25/73/1194122573.db2.gz CQLPDQVIBPBEGY-PKOBYXMFSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000899229606 1194122583 /nfs/dbraw/zinc/12/25/83/1194122583.db2.gz CQLPDQVIBPBEGY-PKOBYXMFSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001083523456 1194145953 /nfs/dbraw/zinc/14/59/53/1194145953.db2.gz FAMNMCIHOOFAJY-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001083523456 1194145957 /nfs/dbraw/zinc/14/59/57/1194145957.db2.gz FAMNMCIHOOFAJY-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001083523456 1194145958 /nfs/dbraw/zinc/14/59/58/1194145958.db2.gz FAMNMCIHOOFAJY-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)ccc1=[NH2+] ZINC001218693275 1224197201 /nfs/dbraw/zinc/19/72/01/1224197201.db2.gz JTFVUNAPPUGXHJ-WBVHZDCISA-N 2 1 353.426 0.751 20 0 FCADMP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)cn2)CC1 ZINC001218723991 1224205655 /nfs/dbraw/zinc/20/56/55/1224205655.db2.gz BVUSNWLANAJYFZ-INIZCTEOSA-N 2 1 358.490 0.822 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001076070488 1194291820 /nfs/dbraw/zinc/29/18/20/1194291820.db2.gz LUCMDBUXJVEKNW-VWOFYDNZSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC001076070488 1194291823 /nfs/dbraw/zinc/29/18/23/1194291823.db2.gz LUCMDBUXJVEKNW-VWOFYDNZSA-N 2 1 368.481 0.978 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001076070488 1194291826 /nfs/dbraw/zinc/29/18/26/1194291826.db2.gz LUCMDBUXJVEKNW-VWOFYDNZSA-N 2 1 368.481 0.978 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246726 1194365961 /nfs/dbraw/zinc/36/59/61/1194365961.db2.gz HNINDLIPYCULKD-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246726 1194365965 /nfs/dbraw/zinc/36/59/65/1194365965.db2.gz HNINDLIPYCULKD-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076246726 1194365968 /nfs/dbraw/zinc/36/59/68/1194365968.db2.gz HNINDLIPYCULKD-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247066 1194366061 /nfs/dbraw/zinc/36/60/61/1194366061.db2.gz XFOLHKQPFAUUIB-SOUVJXGZSA-N 2 1 362.474 0.056 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247066 1194366063 /nfs/dbraw/zinc/36/60/63/1194366063.db2.gz XFOLHKQPFAUUIB-SOUVJXGZSA-N 2 1 362.474 0.056 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001076247066 1194366069 /nfs/dbraw/zinc/36/60/69/1194366069.db2.gz XFOLHKQPFAUUIB-SOUVJXGZSA-N 2 1 362.474 0.056 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247031 1194366500 /nfs/dbraw/zinc/36/65/00/1194366500.db2.gz VZLQVFOWGAAJTI-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247031 1194366506 /nfs/dbraw/zinc/36/65/06/1194366506.db2.gz VZLQVFOWGAAJTI-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001076247031 1194366512 /nfs/dbraw/zinc/36/65/12/1194366512.db2.gz VZLQVFOWGAAJTI-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076247884 1194367136 /nfs/dbraw/zinc/36/71/36/1194367136.db2.gz LBUUJTQLSXLHKC-IPMKNSEASA-N 2 1 370.497 0.826 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076248071 1194367214 /nfs/dbraw/zinc/36/72/14/1194367214.db2.gz VUZXYJQCMRTWGK-ZWKOTPCHSA-N 2 1 358.486 0.683 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076248071 1194367218 /nfs/dbraw/zinc/36/72/18/1194367218.db2.gz VUZXYJQCMRTWGK-ZWKOTPCHSA-N 2 1 358.486 0.683 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076309393 1194391728 /nfs/dbraw/zinc/39/17/28/1194391728.db2.gz PPVXDVSYYLVAAW-HRCADAONSA-N 2 1 359.474 0.818 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001076309393 1194391730 /nfs/dbraw/zinc/39/17/30/1194391730.db2.gz PPVXDVSYYLVAAW-HRCADAONSA-N 2 1 359.474 0.818 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076324780 1194393065 /nfs/dbraw/zinc/39/30/65/1194393065.db2.gz ZVZUTDYBLBJSMP-ARFHVFGLSA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H](NC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C(N)=O ZINC001276794812 1224214380 /nfs/dbraw/zinc/21/43/80/1224214380.db2.gz SPKBVFXWMOSBKK-RBSFLKMASA-N 2 1 368.522 0.218 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365944 1194422018 /nfs/dbraw/zinc/42/20/18/1194422018.db2.gz VQEBIKVTYRTWNI-ZWKOTPCHSA-N 2 1 358.486 0.983 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365944 1194422022 /nfs/dbraw/zinc/42/20/22/1194422022.db2.gz VQEBIKVTYRTWNI-ZWKOTPCHSA-N 2 1 358.486 0.983 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001076418933 1194467436 /nfs/dbraw/zinc/46/74/36/1194467436.db2.gz XGEYWLZJZAOWCN-FUHWJXTLSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001076418933 1194467440 /nfs/dbraw/zinc/46/74/40/1194467440.db2.gz XGEYWLZJZAOWCN-FUHWJXTLSA-N 2 1 360.506 0.968 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001076457715 1194496916 /nfs/dbraw/zinc/49/69/16/1194496916.db2.gz OLFVQZCUMWSWLQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001076457715 1194496924 /nfs/dbraw/zinc/49/69/24/1194496924.db2.gz OLFVQZCUMWSWLQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)nn1 ZINC001076457715 1194496930 /nfs/dbraw/zinc/49/69/30/1194496930.db2.gz OLFVQZCUMWSWLQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)nn1 ZINC001076457715 1194496934 /nfs/dbraw/zinc/49/69/34/1194496934.db2.gz OLFVQZCUMWSWLQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467590 1194502607 /nfs/dbraw/zinc/50/26/07/1194502607.db2.gz NRUSXWYDDXFOCR-YESZJQIVSA-N 2 1 360.502 0.531 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796113 1224228049 /nfs/dbraw/zinc/22/80/49/1224228049.db2.gz WPXVPSLOJIMTRV-VQIMIIECSA-N 3 1 363.506 0.594 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796113 1224228060 /nfs/dbraw/zinc/22/80/60/1224228060.db2.gz WPXVPSLOJIMTRV-VQIMIIECSA-N 3 1 363.506 0.594 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218819438 1224232922 /nfs/dbraw/zinc/23/29/22/1224232922.db2.gz DACSPCVPTGTOQW-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)cc1 ZINC001218855637 1224240696 /nfs/dbraw/zinc/24/06/96/1224240696.db2.gz LMRYQHCMIYHVKT-KRWDZBQOSA-N 2 1 372.473 0.990 20 0 FCADMP CCN1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2F)CC1 ZINC001218889036 1224250166 /nfs/dbraw/zinc/25/01/66/1224250166.db2.gz IXRWJZZTKPAOTO-OAHLLOKOSA-N 2 1 361.465 0.715 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919603 1224259645 /nfs/dbraw/zinc/25/96/45/1224259645.db2.gz VFZSAGJHUJWDPI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919603 1224259652 /nfs/dbraw/zinc/25/96/52/1224259652.db2.gz VFZSAGJHUJWDPI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919603 1224259661 /nfs/dbraw/zinc/25/96/61/1224259661.db2.gz VFZSAGJHUJWDPI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007545 1195143037 /nfs/dbraw/zinc/14/30/37/1195143037.db2.gz RESOLYGBFVLUIV-XUVXKRRUSA-N 2 1 371.481 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007545 1195143042 /nfs/dbraw/zinc/14/30/42/1195143042.db2.gz RESOLYGBFVLUIV-XUVXKRRUSA-N 2 1 371.481 0.720 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077023646 1195159832 /nfs/dbraw/zinc/15/98/32/1195159832.db2.gz LQYNYDWPAQIBIH-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001077023646 1195159843 /nfs/dbraw/zinc/15/98/43/1195159843.db2.gz LQYNYDWPAQIBIH-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001077023646 1195159851 /nfs/dbraw/zinc/15/98/51/1195159851.db2.gz LQYNYDWPAQIBIH-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091115 1195206717 /nfs/dbraw/zinc/20/67/17/1195206717.db2.gz MQILEBRVWMJIII-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091115 1195206722 /nfs/dbraw/zinc/20/67/22/1195206722.db2.gz MQILEBRVWMJIII-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091115 1195206726 /nfs/dbraw/zinc/20/67/26/1195206726.db2.gz MQILEBRVWMJIII-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001077091115 1195206728 /nfs/dbraw/zinc/20/67/28/1195206728.db2.gz MQILEBRVWMJIII-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001077147968 1195269618 /nfs/dbraw/zinc/26/96/18/1195269618.db2.gz QRPXECKMGRUSGT-ARFHVFGLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001077147968 1195269621 /nfs/dbraw/zinc/26/96/21/1195269621.db2.gz QRPXECKMGRUSGT-ARFHVFGLSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276800461 1224275456 /nfs/dbraw/zinc/27/54/56/1224275456.db2.gz SGFPWNPOGQWKBJ-APWZRJJASA-N 2 1 364.490 0.984 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)OC ZINC001077366338 1195465782 /nfs/dbraw/zinc/46/57/82/1195465782.db2.gz BYMMALRMWGDHQT-USXIJHARSA-N 2 1 359.430 0.467 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC1([NH3+])CC1 ZINC000904315605 1195531977 /nfs/dbraw/zinc/53/19/77/1195531977.db2.gz FMAGAZQSPPCXHO-UHFFFAOYSA-N 2 1 361.446 0.696 20 0 FCADMP O[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@]1(O)CCOC1 ZINC000905233050 1195578870 /nfs/dbraw/zinc/57/88/70/1195578870.db2.gz PYPQEWMVKZEGLT-XUVXKRRUSA-N 2 1 364.486 0.770 20 0 FCADMP Cc1oncc1CN1C[C@@H](NC(=O)c2ccc3cncn3c2C)[C@@H](O)C1 ZINC001083591365 1195589125 /nfs/dbraw/zinc/58/91/25/1195589125.db2.gz ZMEPJNLMGRTSLC-SJORKVTESA-N 2 1 355.398 0.914 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664556 1195643503 /nfs/dbraw/zinc/64/35/03/1195643503.db2.gz LVVSDTYHYRKXEV-HNNXBMFYSA-N 3 1 359.474 0.369 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664556 1195643504 /nfs/dbraw/zinc/64/35/04/1195643504.db2.gz LVVSDTYHYRKXEV-HNNXBMFYSA-N 3 1 359.474 0.369 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000906697670 1195645924 /nfs/dbraw/zinc/64/59/24/1195645924.db2.gz OZLVCGVNJJSHFN-KBPBESRZSA-N 2 1 360.458 0.842 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907555877 1195700320 /nfs/dbraw/zinc/70/03/20/1195700320.db2.gz ZEUMTJWDYJGXQT-YSIASYRMSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907555877 1195700324 /nfs/dbraw/zinc/70/03/24/1195700324.db2.gz ZEUMTJWDYJGXQT-YSIASYRMSA-N 2 1 361.486 0.537 20 0 FCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907555877 1195700327 /nfs/dbraw/zinc/70/03/27/1195700327.db2.gz ZEUMTJWDYJGXQT-YSIASYRMSA-N 2 1 361.486 0.537 20 0 FCADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000907757224 1195709630 /nfs/dbraw/zinc/70/96/30/1195709630.db2.gz UWNDNFPEDXRMPO-IAGOWNOFSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907757224 1195709635 /nfs/dbraw/zinc/70/96/35/1195709635.db2.gz UWNDNFPEDXRMPO-IAGOWNOFSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907757224 1195709640 /nfs/dbraw/zinc/70/96/40/1195709640.db2.gz UWNDNFPEDXRMPO-IAGOWNOFSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000907757224 1195709647 /nfs/dbraw/zinc/70/96/47/1195709647.db2.gz UWNDNFPEDXRMPO-IAGOWNOFSA-N 2 1 369.506 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000907757224 1195709651 /nfs/dbraw/zinc/70/96/51/1195709651.db2.gz UWNDNFPEDXRMPO-IAGOWNOFSA-N 2 1 369.506 0.879 20 0 FCADMP COC[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001105708630 1195793565 /nfs/dbraw/zinc/79/35/65/1195793565.db2.gz RGUOBOOJNHMAHS-RVKKMQEKSA-N 2 1 369.506 0.026 20 0 FCADMP COC[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001105708630 1195793571 /nfs/dbraw/zinc/79/35/71/1195793571.db2.gz RGUOBOOJNHMAHS-RVKKMQEKSA-N 2 1 369.506 0.026 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630937 1195802539 /nfs/dbraw/zinc/80/25/39/1195802539.db2.gz VPAXHQADRCZONV-NXHRZFHOSA-N 2 1 371.441 0.611 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C2)C1 ZINC000910844022 1195849420 /nfs/dbraw/zinc/84/94/20/1195849420.db2.gz VOFVKCCCJPBDTM-HXUWFJFHSA-N 2 1 371.485 0.721 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000910829190 1195850614 /nfs/dbraw/zinc/85/06/14/1195850614.db2.gz OLQWIWPLNGTXBF-DOTOQJQBSA-N 2 1 359.474 0.671 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000911069457 1195885954 /nfs/dbraw/zinc/88/59/54/1195885954.db2.gz UIHRIWYZXMTJGI-DOTOQJQBSA-N 2 1 368.522 0.437 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000911078825 1195886984 /nfs/dbraw/zinc/88/69/84/1195886984.db2.gz TUCVNVRTAALECK-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001219054670 1224323547 /nfs/dbraw/zinc/32/35/47/1224323547.db2.gz JDYWMVWTXKZEOE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001219054670 1224323558 /nfs/dbraw/zinc/32/35/58/1224323558.db2.gz JDYWMVWTXKZEOE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001219054670 1224323568 /nfs/dbraw/zinc/32/35/68/1224323568.db2.gz JDYWMVWTXKZEOE-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N(CCO)C1CC[NH+](C)CC1)n2C ZINC000911940593 1196323415 /nfs/dbraw/zinc/32/34/15/1196323415.db2.gz SDBZZSYUYDRKGU-UHFFFAOYSA-N 2 1 360.462 0.563 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654384 1196347226 /nfs/dbraw/zinc/34/72/26/1196347226.db2.gz LKCWSZSPASEAEI-QGRXYFRJSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654384 1196347227 /nfs/dbraw/zinc/34/72/27/1196347227.db2.gz LKCWSZSPASEAEI-QGRXYFRJSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654384 1196347231 /nfs/dbraw/zinc/34/72/31/1196347231.db2.gz LKCWSZSPASEAEI-QGRXYFRJSA-N 2 1 357.454 0.211 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960876 1196601369 /nfs/dbraw/zinc/60/13/69/1196601369.db2.gz FZDXVDACZGHGHO-HOTGVXAUSA-N 2 1 362.522 0.723 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960878 1196601489 /nfs/dbraw/zinc/60/14/89/1196601489.db2.gz FZDXVDACZGHGHO-JKSUJKDBSA-N 2 1 362.522 0.723 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000593737599 1196652684 /nfs/dbraw/zinc/65/26/84/1196652684.db2.gz PTMSWWJYZDPQEM-BBWFWOEESA-N 2 1 367.490 0.616 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(=O)OC ZINC000593736950 1196652726 /nfs/dbraw/zinc/65/27/26/1196652726.db2.gz ONWJGZIGKVFRHU-FDPKGLCPSA-N 2 1 369.506 0.909 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC000991725199 1196748975 /nfs/dbraw/zinc/74/89/75/1196748975.db2.gz YHQOFROACSFUIC-UHOSZYNNSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000991725199 1196748984 /nfs/dbraw/zinc/74/89/84/1196748984.db2.gz YHQOFROACSFUIC-UHOSZYNNSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000991725199 1196748990 /nfs/dbraw/zinc/74/89/90/1196748990.db2.gz YHQOFROACSFUIC-UHOSZYNNSA-N 2 1 370.497 0.611 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105977820 1196763199 /nfs/dbraw/zinc/76/31/99/1196763199.db2.gz AFHROAOOQKDHPO-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105977820 1196763207 /nfs/dbraw/zinc/76/32/07/1196763207.db2.gz AFHROAOOQKDHPO-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088860392 1196805820 /nfs/dbraw/zinc/80/58/20/1196805820.db2.gz JGAOXDGLPMXZCZ-IKGGRYGDSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C[C@H](O)Cn1cccn1 ZINC001088860392 1196805821 /nfs/dbraw/zinc/80/58/21/1196805821.db2.gz JGAOXDGLPMXZCZ-IKGGRYGDSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C[C@H](O)Cn1cccn1 ZINC001088860392 1196805823 /nfs/dbraw/zinc/80/58/23/1196805823.db2.gz JGAOXDGLPMXZCZ-IKGGRYGDSA-N 2 1 363.506 0.555 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871834 1196820014 /nfs/dbraw/zinc/82/00/14/1196820014.db2.gz LAHHJYHWDTVJKO-BGTYHANMSA-N 2 1 358.486 0.657 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871834 1196820016 /nfs/dbraw/zinc/82/00/16/1196820016.db2.gz LAHHJYHWDTVJKO-BGTYHANMSA-N 2 1 358.486 0.657 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871834 1196820020 /nfs/dbraw/zinc/82/00/20/1196820020.db2.gz LAHHJYHWDTVJKO-BGTYHANMSA-N 2 1 358.486 0.657 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871834 1196820022 /nfs/dbraw/zinc/82/00/22/1196820022.db2.gz LAHHJYHWDTVJKO-BGTYHANMSA-N 2 1 358.486 0.657 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504960 1197018931 /nfs/dbraw/zinc/01/89/31/1197018931.db2.gz HDCLSGKWFFQEKJ-FGTMMUONSA-N 2 1 367.534 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000992314863 1197062600 /nfs/dbraw/zinc/06/26/00/1197062600.db2.gz TWDUBQFPJQLJJN-GDBMZVCRSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000913679831 1197108246 /nfs/dbraw/zinc/10/82/46/1197108246.db2.gz SFPRODWGZSDUDW-SFHVURJKSA-N 2 1 361.486 0.803 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000913679831 1197108253 /nfs/dbraw/zinc/10/82/53/1197108253.db2.gz SFPRODWGZSDUDW-SFHVURJKSA-N 2 1 361.486 0.803 20 0 FCADMP Nc1c(F)cccc1N(C(=O)c1nnn2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001219289289 1224416212 /nfs/dbraw/zinc/41/62/12/1224416212.db2.gz ZKKUNEZEOKLZMJ-UHFFFAOYSA-N 2 1 359.409 0.501 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992950991 1197628433 /nfs/dbraw/zinc/62/84/33/1197628433.db2.gz GLFIATVKIAOHCQ-ABSDTBQOSA-N 2 1 362.518 0.731 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C ZINC001085225242 1197701766 /nfs/dbraw/zinc/70/17/66/1197701766.db2.gz OCSCJBWWTSVDRC-ARFHVFGLSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085225242 1197701773 /nfs/dbraw/zinc/70/17/73/1197701773.db2.gz OCSCJBWWTSVDRC-ARFHVFGLSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085225242 1197701783 /nfs/dbraw/zinc/70/17/83/1197701783.db2.gz OCSCJBWWTSVDRC-ARFHVFGLSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106249473 1197782241 /nfs/dbraw/zinc/78/22/41/1197782241.db2.gz ITANQDDLOIDTSS-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249935 1197783597 /nfs/dbraw/zinc/78/35/97/1197783597.db2.gz UQQKJAHPOLTSQQ-BZUAXINKSA-N 2 1 361.490 0.923 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)n1 ZINC001085319968 1197816877 /nfs/dbraw/zinc/81/68/77/1197816877.db2.gz YDVVTEKZSRZMHA-HUUCEWRRSA-N 2 1 364.494 0.994 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085332557 1197826192 /nfs/dbraw/zinc/82/61/92/1197826192.db2.gz CNSHQIJSOVMVRD-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1)[NH+](C)C ZINC000993133253 1197854909 /nfs/dbraw/zinc/85/49/09/1197854909.db2.gz DUWAXXAMIYTCLL-FRQCXROJSA-N 2 1 361.490 0.839 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310582 1197861391 /nfs/dbraw/zinc/86/13/91/1197861391.db2.gz TWSQVSIGGJZEQP-QBPKDAKJSA-N 2 1 368.522 0.162 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310582 1197861392 /nfs/dbraw/zinc/86/13/92/1197861392.db2.gz TWSQVSIGGJZEQP-QBPKDAKJSA-N 2 1 368.522 0.162 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322681 1197863169 /nfs/dbraw/zinc/86/31/69/1197863169.db2.gz QBTYVZZOAZQXQG-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1nc2c([nH]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)C2 ZINC001106343310 1197872042 /nfs/dbraw/zinc/87/20/42/1197872042.db2.gz YJPGHDCZGBUTQY-VNQPRFMTSA-N 2 1 371.489 0.799 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1 ZINC000993154397 1197893972 /nfs/dbraw/zinc/89/39/72/1197893972.db2.gz FLUSIWOZQANGSE-MDZRGWNJSA-N 2 1 360.502 0.341 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762113929 1197913328 /nfs/dbraw/zinc/91/33/28/1197913328.db2.gz RVOCUVZSZAXYKA-RTBURBONSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762113929 1197913331 /nfs/dbraw/zinc/91/33/31/1197913331.db2.gz RVOCUVZSZAXYKA-RTBURBONSA-N 2 1 361.486 0.708 20 0 FCADMP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C)C(N)=O ZINC001106434694 1197924696 /nfs/dbraw/zinc/92/46/96/1197924696.db2.gz CYOJMSBUWMATLK-KFWWJZLASA-N 2 1 361.490 0.710 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001066277281 1197941113 /nfs/dbraw/zinc/94/11/13/1197941113.db2.gz CWXQDXRVCWXSPB-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066277281 1197941120 /nfs/dbraw/zinc/94/11/20/1197941120.db2.gz CWXQDXRVCWXSPB-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066277281 1197941140 /nfs/dbraw/zinc/94/11/40/1197941140.db2.gz CWXQDXRVCWXSPB-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066277281 1197941155 /nfs/dbraw/zinc/94/11/55/1197941155.db2.gz CWXQDXRVCWXSPB-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066277281 1197941161 /nfs/dbraw/zinc/94/11/61/1197941161.db2.gz CWXQDXRVCWXSPB-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066278312 1197942457 /nfs/dbraw/zinc/94/24/57/1197942457.db2.gz MCUKFOQKFJLPKU-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066278312 1197942465 /nfs/dbraw/zinc/94/24/65/1197942465.db2.gz MCUKFOQKFJLPKU-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001273354246 1197975160 /nfs/dbraw/zinc/97/51/60/1197975160.db2.gz OCDNQBPYRHHABJ-IAGOWNOFSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](C)CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001273354246 1197975168 /nfs/dbraw/zinc/97/51/68/1197975168.db2.gz OCDNQBPYRHHABJ-IAGOWNOFSA-N 2 1 362.518 0.920 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)no1 ZINC001106600262 1198029503 /nfs/dbraw/zinc/02/95/03/1198029503.db2.gz WZSBIITYLVZSCV-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000741805352 1198128443 /nfs/dbraw/zinc/12/84/43/1198128443.db2.gz GIPXNYYCWFQYIZ-SFHVURJKSA-N 3 1 368.566 0.859 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2)CC1 ZINC000741805352 1198128451 /nfs/dbraw/zinc/12/84/51/1198128451.db2.gz GIPXNYYCWFQYIZ-SFHVURJKSA-N 2 1 368.566 0.859 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001086090853 1198158161 /nfs/dbraw/zinc/15/81/61/1198158161.db2.gz UPUVCFPWTROAMX-APIJFGDWSA-N 2 1 363.510 0.753 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000742267479 1198169842 /nfs/dbraw/zinc/16/98/42/1198169842.db2.gz QRXKQCPLKSOINO-HZPDHXFCSA-N 2 1 364.490 0.543 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000742267479 1198169860 /nfs/dbraw/zinc/16/98/60/1198169860.db2.gz QRXKQCPLKSOINO-HZPDHXFCSA-N 2 1 364.490 0.543 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120418 1198177884 /nfs/dbraw/zinc/17/78/84/1198177884.db2.gz YMRMXNIRCVBJGD-VDNDLQMASA-N 2 1 364.494 0.098 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120418 1198177889 /nfs/dbraw/zinc/17/78/89/1198177889.db2.gz YMRMXNIRCVBJGD-VDNDLQMASA-N 2 1 364.494 0.098 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001086120420 1198178092 /nfs/dbraw/zinc/17/80/92/1198178092.db2.gz YMTCIQLVGJAHFT-OVYGPGRDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001086120420 1198178104 /nfs/dbraw/zinc/17/81/04/1198178104.db2.gz YMTCIQLVGJAHFT-OVYGPGRDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001006286971 1198228039 /nfs/dbraw/zinc/22/80/39/1198228039.db2.gz MMPKKHMIQRHICT-VQHPVUNQSA-N 2 1 360.502 0.815 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086205190 1198255625 /nfs/dbraw/zinc/25/56/25/1198255625.db2.gz FGISWVHQSCQWQN-LZBKUMLDSA-N 2 1 370.497 0.705 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001006289695 1198258913 /nfs/dbraw/zinc/25/89/13/1198258913.db2.gz SAJDKNQUJGYXNU-HPBDAGMYSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001006294965 1198305167 /nfs/dbraw/zinc/30/51/67/1198305167.db2.gz QHBBKCJKSAAPIY-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001006294965 1198305174 /nfs/dbraw/zinc/30/51/74/1198305174.db2.gz QHBBKCJKSAAPIY-DZUCGIPZSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001086371190 1198331768 /nfs/dbraw/zinc/33/17/68/1198331768.db2.gz VJEVPHCRNOCGBX-AAVRWANBSA-N 2 1 370.448 0.868 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086399063 1198352630 /nfs/dbraw/zinc/35/26/30/1198352630.db2.gz LWKNJWHOSVVAGN-OVYGPGRDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1=O ZINC001086399063 1198352636 /nfs/dbraw/zinc/35/26/36/1198352636.db2.gz LWKNJWHOSVVAGN-OVYGPGRDSA-N 2 1 366.506 0.199 20 0 FCADMP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001219488883 1224485948 /nfs/dbraw/zinc/48/59/48/1224485948.db2.gz ANTKBGXJCXRZCN-DYVFJYSZSA-N 2 1 361.490 0.853 20 0 FCADMP CC(C)CN1N=C(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC1=O ZINC000766394666 1199027421 /nfs/dbraw/zinc/02/74/21/1199027421.db2.gz UDVQYSZFPRRPJV-OAHLLOKOSA-N 2 1 363.506 0.906 20 0 FCADMP CC(C)CN1N=C(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1=O ZINC000766394666 1199027427 /nfs/dbraw/zinc/02/74/27/1199027427.db2.gz UDVQYSZFPRRPJV-OAHLLOKOSA-N 2 1 363.506 0.906 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001169170482 1199054040 /nfs/dbraw/zinc/05/40/40/1199054040.db2.gz VZHNJGGRVPWGHZ-UONOGXRCSA-N 2 1 362.478 0.416 20 0 FCADMP CC(=O)N1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609006 1199080784 /nfs/dbraw/zinc/08/07/84/1199080784.db2.gz GTJKGMUBKJAGSY-KZNAEPCWSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)N1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609006 1199080795 /nfs/dbraw/zinc/08/07/95/1199080795.db2.gz GTJKGMUBKJAGSY-KZNAEPCWSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169609006 1199080799 /nfs/dbraw/zinc/08/07/99/1199080799.db2.gz GTJKGMUBKJAGSY-KZNAEPCWSA-N 2 1 366.506 0.108 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129347898 1199094726 /nfs/dbraw/zinc/09/47/26/1199094726.db2.gz IAXKPGYXPZSCDU-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP O=C(NCCN1CCCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219633124 1224539362 /nfs/dbraw/zinc/53/93/62/1224539362.db2.gz XUJJQXQMUUJBRS-SFHVURJKSA-N 2 1 358.486 0.852 20 0 FCADMP O=C(NCCN1CCCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219633124 1224539365 /nfs/dbraw/zinc/53/93/65/1224539365.db2.gz XUJJQXQMUUJBRS-SFHVURJKSA-N 2 1 358.486 0.852 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697043 1224563943 /nfs/dbraw/zinc/56/39/43/1224563943.db2.gz PGXHHGSLJBBQAS-OAHLLOKOSA-N 2 1 363.458 0.352 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697042 1224564322 /nfs/dbraw/zinc/56/43/22/1224564322.db2.gz PGXHHGSLJBBQAS-HNNXBMFYSA-N 2 1 363.458 0.352 20 0 FCADMP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726993 1224579441 /nfs/dbraw/zinc/57/94/41/1224579441.db2.gz UBRFHTZMBOBELF-MSOLQXFVSA-N 3 1 359.518 0.281 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726993 1224579447 /nfs/dbraw/zinc/57/94/47/1224579447.db2.gz UBRFHTZMBOBELF-MSOLQXFVSA-N 4 1 359.518 0.281 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726993 1224579452 /nfs/dbraw/zinc/57/94/52/1224579452.db2.gz UBRFHTZMBOBELF-MSOLQXFVSA-N 4 1 359.518 0.281 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCCN1 ZINC001219727140 1224580148 /nfs/dbraw/zinc/58/01/48/1224580148.db2.gz XSRRVHOMDQYOGT-OALUTQOASA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001219727140 1224580153 /nfs/dbraw/zinc/58/01/53/1224580153.db2.gz XSRRVHOMDQYOGT-OALUTQOASA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001219727140 1224580160 /nfs/dbraw/zinc/58/01/60/1224580160.db2.gz XSRRVHOMDQYOGT-OALUTQOASA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCN1 ZINC001219728752 1224581741 /nfs/dbraw/zinc/58/17/41/1224581741.db2.gz GIUXGBCNEBKSBT-OALUTQOASA-N 3 1 371.529 0.166 20 0 FCADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729166 1224581820 /nfs/dbraw/zinc/58/18/20/1224581820.db2.gz PSTXJPINYPGCBP-QYZOEREBSA-N 4 1 371.529 0.151 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129385088 1200095096 /nfs/dbraw/zinc/09/50/96/1200095096.db2.gz HFNHXTXZAFHQBG-CVEARBPZSA-N 2 1 362.478 0.140 20 0 FCADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301845 1200159592 /nfs/dbraw/zinc/15/95/92/1200159592.db2.gz MZGZUURWSDSGOF-LMSBXDPUSA-N 2 1 363.506 0.941 20 0 FCADMP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470287 1200313284 /nfs/dbraw/zinc/31/32/84/1200313284.db2.gz VIMPIIMXRUHNLE-IKGGRYGDSA-N 2 1 359.474 0.766 20 0 FCADMP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470287 1200313292 /nfs/dbraw/zinc/31/32/92/1200313292.db2.gz VIMPIIMXRUHNLE-IKGGRYGDSA-N 2 1 359.474 0.766 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001109673835 1200459683 /nfs/dbraw/zinc/45/96/83/1200459683.db2.gz SENPJXALSYDEFB-ILXRZTDVSA-N 2 1 363.510 0.644 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001109673835 1200459686 /nfs/dbraw/zinc/45/96/86/1200459686.db2.gz SENPJXALSYDEFB-ILXRZTDVSA-N 2 1 363.510 0.644 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001219796840 1224617171 /nfs/dbraw/zinc/61/71/71/1224617171.db2.gz SNJIIDCVCPEFTK-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001219796840 1224617174 /nfs/dbraw/zinc/61/71/74/1224617174.db2.gz SNJIIDCVCPEFTK-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001219796840 1224617178 /nfs/dbraw/zinc/61/71/78/1224617178.db2.gz SNJIIDCVCPEFTK-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001219796840 1224617182 /nfs/dbraw/zinc/61/71/82/1224617182.db2.gz SNJIIDCVCPEFTK-QYZOEREBSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219796171 1224617265 /nfs/dbraw/zinc/61/72/65/1224617265.db2.gz OYMJTYXZDQREIH-QFBILLFUSA-N 2 1 363.550 0.393 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)c1 ZINC001219800095 1224619992 /nfs/dbraw/zinc/61/99/92/1224619992.db2.gz GIEOIQGKSLTKPC-MSOLQXFVSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)c1 ZINC001219800095 1224619997 /nfs/dbraw/zinc/61/99/97/1224619997.db2.gz GIEOIQGKSLTKPC-MSOLQXFVSA-N 2 1 361.486 0.979 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)C1CC[NH+](CC2CC2)CC1 ZINC001109957291 1200646403 /nfs/dbraw/zinc/64/64/03/1200646403.db2.gz GBWBIJYGDDIRMG-QYZOEREBSA-N 2 1 365.518 0.839 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975969 1200656677 /nfs/dbraw/zinc/65/66/77/1200656677.db2.gz MEBCHWNGPYJGJP-MHORFTMASA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975969 1200656700 /nfs/dbraw/zinc/65/67/00/1200656700.db2.gz MEBCHWNGPYJGJP-MHORFTMASA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975969 1200656705 /nfs/dbraw/zinc/65/67/05/1200656705.db2.gz MEBCHWNGPYJGJP-MHORFTMASA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980781 1200665692 /nfs/dbraw/zinc/66/56/92/1200665692.db2.gz ZZFDPSCEPOQTJY-NCOADZHNSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980781 1200665693 /nfs/dbraw/zinc/66/56/93/1200665693.db2.gz ZZFDPSCEPOQTJY-NCOADZHNSA-N 2 1 368.522 0.541 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805709 1224625273 /nfs/dbraw/zinc/62/52/73/1224625273.db2.gz QCUKHNRPQFAWBW-CEXWTWQISA-N 2 1 361.486 0.739 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805927 1224625353 /nfs/dbraw/zinc/62/53/53/1224625353.db2.gz WKINOSPZDNXPSF-AOIWGVFYSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805927 1224625366 /nfs/dbraw/zinc/62/53/66/1224625366.db2.gz WKINOSPZDNXPSF-AOIWGVFYSA-N 2 1 361.486 0.875 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219809999 1224627865 /nfs/dbraw/zinc/62/78/65/1224627865.db2.gz YTQVQZDNPMBORJ-UHFFFAOYSA-N 2 1 367.453 0.355 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219814116 1224629748 /nfs/dbraw/zinc/62/97/48/1224629748.db2.gz SWZVRWTYBCZCIK-QRVBRYPASA-N 2 1 361.486 0.236 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001219814116 1224629752 /nfs/dbraw/zinc/62/97/52/1224629752.db2.gz SWZVRWTYBCZCIK-QRVBRYPASA-N 2 1 361.486 0.236 20 0 FCADMP Cc1cc(N2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001112680564 1200867142 /nfs/dbraw/zinc/86/71/42/1200867142.db2.gz NJVBPMYHFGSMSL-GDBMZVCRSA-N 2 1 361.490 0.881 20 0 FCADMP Cc1cc(N2CCC(CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001112680564 1200867149 /nfs/dbraw/zinc/86/71/49/1200867149.db2.gz NJVBPMYHFGSMSL-GDBMZVCRSA-N 2 1 361.490 0.881 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787510027 1200887171 /nfs/dbraw/zinc/88/71/71/1200887171.db2.gz XFIDICVXJMWCAT-CQSZACIVSA-N 2 1 362.478 0.689 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829902 1224641533 /nfs/dbraw/zinc/64/15/33/1224641533.db2.gz HQFCPASOKGLUDN-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829902 1224641550 /nfs/dbraw/zinc/64/15/50/1224641550.db2.gz HQFCPASOKGLUDN-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219829902 1224641555 /nfs/dbraw/zinc/64/15/55/1224641555.db2.gz HQFCPASOKGLUDN-ZACQAIPSSA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219830311 1224642630 /nfs/dbraw/zinc/64/26/30/1224642630.db2.gz VGMYTARQNNKBJU-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830311 1224642638 /nfs/dbraw/zinc/64/26/38/1224642638.db2.gz VGMYTARQNNKBJU-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830311 1224642642 /nfs/dbraw/zinc/64/26/42/1224642642.db2.gz VGMYTARQNNKBJU-KURKYZTESA-N 2 1 363.506 0.536 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850420 1224653480 /nfs/dbraw/zinc/65/34/80/1224653480.db2.gz SSHKYJKVXSAARW-LWYYNNOASA-N 2 1 372.513 0.591 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850420 1224653490 /nfs/dbraw/zinc/65/34/90/1224653490.db2.gz SSHKYJKVXSAARW-LWYYNNOASA-N 2 1 372.513 0.591 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850421 1224654286 /nfs/dbraw/zinc/65/42/86/1224654286.db2.gz SSHKYJKVXSAARW-ZGXWSNOMSA-N 2 1 372.513 0.591 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850421 1224654292 /nfs/dbraw/zinc/65/42/92/1224654292.db2.gz SSHKYJKVXSAARW-ZGXWSNOMSA-N 2 1 372.513 0.591 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607395 1201188841 /nfs/dbraw/zinc/18/88/41/1201188841.db2.gz YYBOZTWXBVFYDR-FHLIZLRMSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607395 1201188844 /nfs/dbraw/zinc/18/88/44/1201188844.db2.gz YYBOZTWXBVFYDR-FHLIZLRMSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793715017 1201254787 /nfs/dbraw/zinc/25/47/87/1201254787.db2.gz VGBVSZDKWIZEHH-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793715017 1201254792 /nfs/dbraw/zinc/25/47/92/1201254792.db2.gz VGBVSZDKWIZEHH-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101481 1201262066 /nfs/dbraw/zinc/26/20/66/1201262066.db2.gz QOPQMFIXNQQATH-WCVJEAGWSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101481 1201262073 /nfs/dbraw/zinc/26/20/73/1201262073.db2.gz QOPQMFIXNQQATH-WCVJEAGWSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101481 1201262076 /nfs/dbraw/zinc/26/20/76/1201262076.db2.gz QOPQMFIXNQQATH-WCVJEAGWSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101481 1201262081 /nfs/dbraw/zinc/26/20/81/1201262081.db2.gz QOPQMFIXNQQATH-WCVJEAGWSA-N 2 1 365.522 0.757 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000793803379 1201265887 /nfs/dbraw/zinc/26/58/87/1201265887.db2.gz QYOWOAQVPAFBNW-BBRMVZONSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000793803379 1201265895 /nfs/dbraw/zinc/26/58/95/1201265895.db2.gz QYOWOAQVPAFBNW-BBRMVZONSA-N 2 1 370.457 0.791 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793902487 1201274091 /nfs/dbraw/zinc/27/40/91/1201274091.db2.gz RFWGNZVEEVEKQN-LTIDMASMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793902487 1201274099 /nfs/dbraw/zinc/27/40/99/1201274099.db2.gz RFWGNZVEEVEKQN-LTIDMASMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793902487 1201274104 /nfs/dbraw/zinc/27/41/04/1201274104.db2.gz RFWGNZVEEVEKQN-LTIDMASMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620324 1201283008 /nfs/dbraw/zinc/28/30/08/1201283008.db2.gz LCOHLNHZQXAPGF-KSZLIROESA-N 2 1 370.497 0.930 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620324 1201283011 /nfs/dbraw/zinc/28/30/11/1201283011.db2.gz LCOHLNHZQXAPGF-KSZLIROESA-N 2 1 370.497 0.930 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407156 1201296217 /nfs/dbraw/zinc/29/62/17/1201296217.db2.gz GJEWYTISSAFTAG-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407156 1201296226 /nfs/dbraw/zinc/29/62/26/1201296226.db2.gz GJEWYTISSAFTAG-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407156 1201296229 /nfs/dbraw/zinc/29/62/29/1201296229.db2.gz GJEWYTISSAFTAG-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407156 1201296231 /nfs/dbraw/zinc/29/62/31/1201296231.db2.gz GJEWYTISSAFTAG-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407232 1201298522 /nfs/dbraw/zinc/29/85/22/1201298522.db2.gz JMZLDOOEPPQCDS-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407232 1201298530 /nfs/dbraw/zinc/29/85/30/1201298530.db2.gz JMZLDOOEPPQCDS-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407232 1201298534 /nfs/dbraw/zinc/29/85/34/1201298534.db2.gz JMZLDOOEPPQCDS-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407232 1201298538 /nfs/dbraw/zinc/29/85/38/1201298538.db2.gz JMZLDOOEPPQCDS-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453794 1201312253 /nfs/dbraw/zinc/31/22/53/1201312253.db2.gz JQERAYHDVOFXBL-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCOC)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129850416 1201404923 /nfs/dbraw/zinc/40/49/23/1201404923.db2.gz YUCKYWWWSUWLIA-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837306 1201409963 /nfs/dbraw/zinc/40/99/63/1201409963.db2.gz ASMWDWKUXYTTCY-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896980 1224673858 /nfs/dbraw/zinc/67/38/58/1224673858.db2.gz RKENNZNHYDFVRB-ZACQAIPSSA-N 2 1 367.465 0.751 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896980 1224673860 /nfs/dbraw/zinc/67/38/60/1224673860.db2.gz RKENNZNHYDFVRB-ZACQAIPSSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896980 1224673862 /nfs/dbraw/zinc/67/38/62/1224673862.db2.gz RKENNZNHYDFVRB-ZACQAIPSSA-N 2 1 367.465 0.751 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219896980 1224673864 /nfs/dbraw/zinc/67/38/64/1224673864.db2.gz RKENNZNHYDFVRB-ZACQAIPSSA-N 2 1 367.465 0.751 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130107688 1201503029 /nfs/dbraw/zinc/50/30/29/1201503029.db2.gz VXFXWICCWRFLGL-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132936 1201512837 /nfs/dbraw/zinc/51/28/37/1201512837.db2.gz XGRBPMGVGPFILH-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132936 1201512841 /nfs/dbraw/zinc/51/28/41/1201512841.db2.gz XGRBPMGVGPFILH-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234591 1201558354 /nfs/dbraw/zinc/55/83/54/1201558354.db2.gz COFYCPXDQNGEND-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234591 1201558358 /nfs/dbraw/zinc/55/83/58/1201558358.db2.gz COFYCPXDQNGEND-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n[nH]1 ZINC001130234725 1201559370 /nfs/dbraw/zinc/55/93/70/1201559370.db2.gz JBXJBFRCBHIXDY-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n1 ZINC001130234725 1201559375 /nfs/dbraw/zinc/55/93/75/1201559375.db2.gz JBXJBFRCBHIXDY-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130244938 1201565379 /nfs/dbraw/zinc/56/53/79/1201565379.db2.gz RZAVTMRXBNSCTE-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610624 1202730162 /nfs/dbraw/zinc/73/01/62/1202730162.db2.gz OKJFVWXHTBYGRL-SOLBZPMBSA-N 2 1 363.506 0.825 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726174 1202767413 /nfs/dbraw/zinc/76/74/13/1202767413.db2.gz OKGRYIACVKMPHU-JLJPHGGASA-N 2 1 360.462 0.544 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)cn1 ZINC001220078070 1224747554 /nfs/dbraw/zinc/74/75/54/1224747554.db2.gz IGKSHBFBSMVPME-SJORKVTESA-N 2 1 363.506 0.388 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131004017 1202841241 /nfs/dbraw/zinc/84/12/41/1202841241.db2.gz XDAUAUXTZKTJPE-BRWVUGGUSA-N 2 1 363.506 0.561 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012080 1202844553 /nfs/dbraw/zinc/84/45/53/1202844553.db2.gz AFIWBZYHNSFHGZ-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031803 1202850419 /nfs/dbraw/zinc/85/04/19/1202850419.db2.gz XTBNGXULPINISI-NUEKZKHPSA-N 2 1 360.462 0.544 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125972 1202866651 /nfs/dbraw/zinc/86/66/51/1202866651.db2.gz PVRNOSACFGGVFE-NUJGCVRESA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125972 1202866652 /nfs/dbraw/zinc/86/66/52/1202866652.db2.gz PVRNOSACFGGVFE-NUJGCVRESA-N 2 1 363.506 0.825 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131132986 1202869872 /nfs/dbraw/zinc/86/98/72/1202869872.db2.gz WKGGLMGCKLFXIN-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001131316138 1202885200 /nfs/dbraw/zinc/88/52/00/1202885200.db2.gz CLPFJBPLKZIHRL-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001131318957 1202886687 /nfs/dbraw/zinc/88/66/87/1202886687.db2.gz ZGRXRUCZLLPBPL-ZACQAIPSSA-N 2 1 364.490 0.988 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001131318957 1202886690 /nfs/dbraw/zinc/88/66/90/1202886690.db2.gz ZGRXRUCZLLPBPL-ZACQAIPSSA-N 2 1 364.490 0.988 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001086665050 1202887608 /nfs/dbraw/zinc/88/76/08/1202887608.db2.gz ONNVQYSIABVKGI-SQWLQELKSA-N 2 1 363.462 0.190 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001086665050 1202887611 /nfs/dbraw/zinc/88/76/11/1202887611.db2.gz ONNVQYSIABVKGI-SQWLQELKSA-N 2 1 363.462 0.190 20 0 FCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001131461544 1202899637 /nfs/dbraw/zinc/89/96/37/1202899637.db2.gz PKIOXCSRORNOAG-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461544 1202899638 /nfs/dbraw/zinc/89/96/38/1202899638.db2.gz PKIOXCSRORNOAG-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131596947 1202919066 /nfs/dbraw/zinc/91/90/66/1202919066.db2.gz CAJKABFWUALGCK-LMMKCTJWSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131597214 1202919623 /nfs/dbraw/zinc/91/96/23/1202919623.db2.gz QWCPUNFQGDKGST-AEFFLSMTSA-N 2 1 365.478 0.897 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131597214 1202919625 /nfs/dbraw/zinc/91/96/25/1202919625.db2.gz QWCPUNFQGDKGST-AEFFLSMTSA-N 2 1 365.478 0.897 20 0 FCADMP CCCNC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747798795 1202982953 /nfs/dbraw/zinc/98/29/53/1202982953.db2.gz TYAHZUUVANOXBF-CQSZACIVSA-N 2 1 365.478 0.198 20 0 FCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747798795 1202982955 /nfs/dbraw/zinc/98/29/55/1202982955.db2.gz TYAHZUUVANOXBF-CQSZACIVSA-N 2 1 365.478 0.198 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086716644 1203011741 /nfs/dbraw/zinc/01/17/41/1203011741.db2.gz KRVFQHURMFONHJ-LZWOXQAQSA-N 2 1 357.462 0.964 20 0 FCADMP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001134126236 1203015673 /nfs/dbraw/zinc/01/56/73/1203015673.db2.gz GSVACNXMVCBPDU-MOPGFXCFSA-N 2 1 370.501 0.946 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)O1 ZINC001086731298 1203052375 /nfs/dbraw/zinc/05/23/75/1203052375.db2.gz FLLAFQDDPRJSOM-CYGHRXIMSA-N 2 1 363.506 0.556 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)O1 ZINC001086731298 1203052380 /nfs/dbraw/zinc/05/23/80/1203052380.db2.gz FLLAFQDDPRJSOM-CYGHRXIMSA-N 2 1 363.506 0.556 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000817402826 1203104699 /nfs/dbraw/zinc/10/46/99/1203104699.db2.gz XUAFMZJUDPWCRN-MRXNPFEDSA-N 2 1 373.501 0.930 20 0 FCADMP COc1ccc(OC)c([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819004969 1203147314 /nfs/dbraw/zinc/14/73/14/1203147314.db2.gz VXRLEEVVCCFWJW-RHSMWYFYSA-N 2 1 365.474 0.914 20 0 FCADMP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)C(N)=O ZINC001086839029 1203193132 /nfs/dbraw/zinc/19/31/32/1203193132.db2.gz HRDVCJOMPDRWDN-KCQAQPDRSA-N 2 1 356.430 0.629 20 0 FCADMP CO[C@@H](C[NH3+])Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000822925631 1203241201 /nfs/dbraw/zinc/24/12/01/1203241201.db2.gz GDUBDDHBIBTVKQ-OAHLLOKOSA-N 2 1 359.430 0.640 20 0 FCADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822951134 1203242543 /nfs/dbraw/zinc/24/25/43/1203242543.db2.gz KWGGPQOORKHBKI-OAHLLOKOSA-N 2 1 358.446 0.804 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090866943 1203319884 /nfs/dbraw/zinc/31/98/84/1203319884.db2.gz SQRUOVJLMVKDPU-BBWFWOEESA-N 2 1 360.458 0.159 20 0 FCADMP O=C([C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670001 1203322720 /nfs/dbraw/zinc/32/27/20/1203322720.db2.gz KHVUJNUIBSYKRT-IRXDYDNUSA-N 2 1 353.426 0.417 20 0 FCADMP O=C([C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670001 1203322722 /nfs/dbraw/zinc/32/27/22/1203322722.db2.gz KHVUJNUIBSYKRT-IRXDYDNUSA-N 2 1 353.426 0.417 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186996 1203338727 /nfs/dbraw/zinc/33/87/27/1203338727.db2.gz DUYVTOBHFONKTG-IAGOWNOFSA-N 2 1 361.490 0.477 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220224144 1224808037 /nfs/dbraw/zinc/80/80/37/1224808037.db2.gz BCFAIYXMNDYIHQ-IKGGRYGDSA-N 2 1 365.474 0.931 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)c1 ZINC001220227539 1224809805 /nfs/dbraw/zinc/80/98/05/1224809805.db2.gz UDUPBLJZNJNXKI-MSOLQXFVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)c1 ZINC001220227539 1224809808 /nfs/dbraw/zinc/80/98/08/1224809808.db2.gz UDUPBLJZNJNXKI-MSOLQXFVSA-N 2 1 361.486 0.877 20 0 FCADMP COC(=O)[C@@]1(NC(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228706 1224810571 /nfs/dbraw/zinc/81/05/71/1224810571.db2.gz VGJSWESIWYCUFO-QFBILLFUSA-N 2 1 361.442 0.299 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001220230905 1224811094 /nfs/dbraw/zinc/81/10/94/1224811094.db2.gz UAUCCBRZRZCNHN-FGTMMUONSA-N 2 1 361.486 0.877 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001220230906 1224811231 /nfs/dbraw/zinc/81/12/31/1224811231.db2.gz UAUCCBRZRZCNHN-SQNIBIBYSA-N 2 1 361.486 0.877 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001220307185 1224824169 /nfs/dbraw/zinc/82/41/69/1224824169.db2.gz TZHFKYKNQOSSRJ-SFHVURJKSA-N 2 1 355.486 0.858 20 0 FCADMP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000845845407 1204553655 /nfs/dbraw/zinc/55/36/55/1204553655.db2.gz OERLLSRWHRGFRF-ZNMIVQPWSA-N 2 1 372.510 0.667 20 0 FCADMP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000845845407 1204553659 /nfs/dbraw/zinc/55/36/59/1204553659.db2.gz OERLLSRWHRGFRF-ZNMIVQPWSA-N 2 1 372.510 0.667 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359631 1224843951 /nfs/dbraw/zinc/84/39/51/1224843951.db2.gz RKZPIDVAHJLLFD-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359631 1224843955 /nfs/dbraw/zinc/84/39/55/1224843955.db2.gz RKZPIDVAHJLLFD-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359631 1224843958 /nfs/dbraw/zinc/84/39/58/1224843958.db2.gz RKZPIDVAHJLLFD-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359631 1224843963 /nfs/dbraw/zinc/84/39/63/1224843963.db2.gz RKZPIDVAHJLLFD-JTDSTZFVSA-N 2 1 371.497 0.787 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220369612 1224846837 /nfs/dbraw/zinc/84/68/37/1224846837.db2.gz LGZVULHKUYDDAN-KURKYZTESA-N 2 1 363.502 0.859 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220369612 1224846839 /nfs/dbraw/zinc/84/68/39/1224846839.db2.gz LGZVULHKUYDDAN-KURKYZTESA-N 2 1 363.502 0.859 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)CC(C)(C)C ZINC001220369612 1224846842 /nfs/dbraw/zinc/84/68/42/1224846842.db2.gz LGZVULHKUYDDAN-KURKYZTESA-N 2 1 363.502 0.859 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664538 1204811398 /nfs/dbraw/zinc/81/13/98/1204811398.db2.gz RMBCJNLBWQEJFK-UWVAXJGDSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664538 1204811400 /nfs/dbraw/zinc/81/14/00/1204811400.db2.gz RMBCJNLBWQEJFK-UWVAXJGDSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091664538 1204811402 /nfs/dbraw/zinc/81/14/02/1204811402.db2.gz RMBCJNLBWQEJFK-UWVAXJGDSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)nn1 ZINC001091676904 1204817656 /nfs/dbraw/zinc/81/76/56/1204817656.db2.gz GZMZNPKIEBRIKK-AYBZRNKSSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)nn1 ZINC001091676904 1204817659 /nfs/dbraw/zinc/81/76/59/1204817659.db2.gz GZMZNPKIEBRIKK-AYBZRNKSSA-N 2 1 358.490 0.437 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091676995 1204817810 /nfs/dbraw/zinc/81/78/10/1204817810.db2.gz HSPWDBSXWUNRAH-SYNHAJSKSA-N 2 1 360.502 0.387 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738021 1204837508 /nfs/dbraw/zinc/83/75/08/1204837508.db2.gz NENLNJQMCIKGLP-GJYPPUQNSA-N 2 1 363.506 0.132 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737060 1204837901 /nfs/dbraw/zinc/83/79/01/1204837901.db2.gz BGLGQYROQDYSKN-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737060 1204837902 /nfs/dbraw/zinc/83/79/02/1204837902.db2.gz BGLGQYROQDYSKN-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737060 1204837904 /nfs/dbraw/zinc/83/79/04/1204837904.db2.gz BGLGQYROQDYSKN-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001086970749 1204870040 /nfs/dbraw/zinc/87/00/40/1204870040.db2.gz GWJALTRGRYUXIL-GVDBMIGSSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001086970749 1204870041 /nfs/dbraw/zinc/87/00/41/1204870041.db2.gz GWJALTRGRYUXIL-GVDBMIGSSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086982378 1204878003 /nfs/dbraw/zinc/87/80/03/1204878003.db2.gz GAZKQPUQBJWKCE-OKZBNKHCSA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001087011313 1204898112 /nfs/dbraw/zinc/89/81/12/1204898112.db2.gz OUWMBQMDQKCPHX-OTWHNJEPSA-N 2 1 371.485 0.599 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087035408 1204910658 /nfs/dbraw/zinc/91/06/58/1204910658.db2.gz ZYYFDIZUBPFRME-BPQIPLTHSA-N 2 1 363.506 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087055287 1204935509 /nfs/dbraw/zinc/93/55/09/1204935509.db2.gz DQIOITOJJYQHHM-DTZQCDIJSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087055287 1204935515 /nfs/dbraw/zinc/93/55/15/1204935515.db2.gz DQIOITOJJYQHHM-DTZQCDIJSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087059814 1204944392 /nfs/dbraw/zinc/94/43/92/1204944392.db2.gz WKFYOXSFOPXAPI-NVXWUHKLSA-N 2 1 361.490 0.914 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087063189 1204949904 /nfs/dbraw/zinc/94/99/04/1204949904.db2.gz MEXNJTHKAWKSLA-BZUAXINKSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087063189 1204949911 /nfs/dbraw/zinc/94/99/11/1204949911.db2.gz MEXNJTHKAWKSLA-BZUAXINKSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083412 1204970202 /nfs/dbraw/zinc/97/02/02/1204970202.db2.gz CVWOKHKGHBGIBW-FVQBIDKESA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083412 1204970212 /nfs/dbraw/zinc/97/02/12/1204970212.db2.gz CVWOKHKGHBGIBW-FVQBIDKESA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083910 1204972066 /nfs/dbraw/zinc/97/20/66/1204972066.db2.gz XLFFUMFNZLZUKA-ZMSDIMECSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087100921 1204997249 /nfs/dbraw/zinc/99/72/49/1204997249.db2.gz LEZFNEVTTVBNJF-ZMSDIMECSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087102056 1205001244 /nfs/dbraw/zinc/00/12/44/1205001244.db2.gz MDPQTSQROVYXER-DJIMGWMZSA-N 2 1 366.462 0.348 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087102056 1205001250 /nfs/dbraw/zinc/00/12/50/1205001250.db2.gz MDPQTSQROVYXER-DJIMGWMZSA-N 2 1 366.462 0.348 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087096537 1205004170 /nfs/dbraw/zinc/00/41/70/1205004170.db2.gz QVDIMXVYTZBJJO-ZMSDIMECSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087096465 1205004483 /nfs/dbraw/zinc/00/44/83/1205004483.db2.gz OQSOREZVWUJXLN-GVDBMIGSSA-N 2 1 361.490 0.772 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)ncn1 ZINC001091782840 1205027438 /nfs/dbraw/zinc/02/74/38/1205027438.db2.gz IXDRNNJCMPAIRJ-CIWUYKSXSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)ncn1 ZINC001091782840 1205027439 /nfs/dbraw/zinc/02/74/39/1205027439.db2.gz IXDRNNJCMPAIRJ-CIWUYKSXSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)ncn1 ZINC001091782840 1205027440 /nfs/dbraw/zinc/02/74/40/1205027440.db2.gz IXDRNNJCMPAIRJ-CIWUYKSXSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)ncn1 ZINC001091782840 1205027441 /nfs/dbraw/zinc/02/74/41/1205027441.db2.gz IXDRNNJCMPAIRJ-CIWUYKSXSA-N 2 1 373.501 0.784 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091985857 1205093944 /nfs/dbraw/zinc/09/39/44/1205093944.db2.gz KNHJGYODDYTKSV-POAQFYNOSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975060 1205105638 /nfs/dbraw/zinc/10/56/38/1205105638.db2.gz FJEIMZOOFABGTA-NBQZKYEYSA-N 2 1 362.518 0.776 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197985 1205191371 /nfs/dbraw/zinc/19/13/71/1205191371.db2.gz AFZLAQGQJLXZTL-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197985 1205191375 /nfs/dbraw/zinc/19/13/75/1205191375.db2.gz AFZLAQGQJLXZTL-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CC1 ZINC001092197985 1205191380 /nfs/dbraw/zinc/19/13/80/1205191380.db2.gz AFZLAQGQJLXZTL-QINHECLXSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)cc1=O ZINC001092275925 1205223650 /nfs/dbraw/zinc/22/36/50/1205223650.db2.gz WXQQSJQCMHQUKN-XLIONFOSSA-N 2 1 358.486 0.761 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301385 1205234447 /nfs/dbraw/zinc/23/44/47/1205234447.db2.gz GCINXBKPKYHTOM-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301385 1205234451 /nfs/dbraw/zinc/23/44/51/1205234451.db2.gz GCINXBKPKYHTOM-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301385 1205234456 /nfs/dbraw/zinc/23/44/56/1205234456.db2.gz GCINXBKPKYHTOM-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301385 1205234460 /nfs/dbraw/zinc/23/44/60/1205234460.db2.gz GCINXBKPKYHTOM-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092503985 1205295939 /nfs/dbraw/zinc/29/59/39/1205295939.db2.gz FWPZMISMSUDDND-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092503985 1205295942 /nfs/dbraw/zinc/29/59/42/1205295942.db2.gz FWPZMISMSUDDND-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092503985 1205295947 /nfs/dbraw/zinc/29/59/47/1205295947.db2.gz FWPZMISMSUDDND-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504739 1205296622 /nfs/dbraw/zinc/29/66/22/1205296622.db2.gz YHHBUSCEROSSLD-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504739 1205296626 /nfs/dbraw/zinc/29/66/26/1205296626.db2.gz YHHBUSCEROSSLD-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504739 1205296631 /nfs/dbraw/zinc/29/66/31/1205296631.db2.gz YHHBUSCEROSSLD-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504739 1205296635 /nfs/dbraw/zinc/29/66/35/1205296635.db2.gz YHHBUSCEROSSLD-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521874 1205302152 /nfs/dbraw/zinc/30/21/52/1205302152.db2.gz GCUYHJREMBGSOV-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521874 1205302155 /nfs/dbraw/zinc/30/21/55/1205302155.db2.gz GCUYHJREMBGSOV-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521874 1205302161 /nfs/dbraw/zinc/30/21/61/1205302161.db2.gz GCUYHJREMBGSOV-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521874 1205302164 /nfs/dbraw/zinc/30/21/64/1205302164.db2.gz GCUYHJREMBGSOV-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521718 1205302326 /nfs/dbraw/zinc/30/23/26/1205302326.db2.gz CCEZGNUZFTUGQC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521718 1205302330 /nfs/dbraw/zinc/30/23/30/1205302330.db2.gz CCEZGNUZFTUGQC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092521718 1205302334 /nfs/dbraw/zinc/30/23/34/1205302334.db2.gz CCEZGNUZFTUGQC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092521718 1205302339 /nfs/dbraw/zinc/30/23/39/1205302339.db2.gz CCEZGNUZFTUGQC-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523079 1205302455 /nfs/dbraw/zinc/30/24/55/1205302455.db2.gz ZXHLASBYMYEYNA-FRFSOERESA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523079 1205302459 /nfs/dbraw/zinc/30/24/59/1205302459.db2.gz ZXHLASBYMYEYNA-FRFSOERESA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523079 1205302461 /nfs/dbraw/zinc/30/24/61/1205302461.db2.gz ZXHLASBYMYEYNA-FRFSOERESA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523079 1205302465 /nfs/dbraw/zinc/30/24/65/1205302465.db2.gz ZXHLASBYMYEYNA-FRFSOERESA-N 2 1 364.494 0.121 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524371 1205303316 /nfs/dbraw/zinc/30/33/16/1205303316.db2.gz WPKYRXARGDXKCY-LZQZEXGQSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524371 1205303320 /nfs/dbraw/zinc/30/33/20/1205303320.db2.gz WPKYRXARGDXKCY-LZQZEXGQSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092524371 1205303323 /nfs/dbraw/zinc/30/33/23/1205303323.db2.gz WPKYRXARGDXKCY-LZQZEXGQSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092524371 1205303326 /nfs/dbraw/zinc/30/33/26/1205303326.db2.gz WPKYRXARGDXKCY-LZQZEXGQSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611499 1205313431 /nfs/dbraw/zinc/31/34/31/1205313431.db2.gz YITBOQQJWYSXIW-OIISXLGYSA-N 2 1 363.506 0.038 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092602518 1205317650 /nfs/dbraw/zinc/31/76/50/1205317650.db2.gz ATFADVKGSLXWLL-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602518 1205317652 /nfs/dbraw/zinc/31/76/52/1205317652.db2.gz ATFADVKGSLXWLL-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602518 1205317653 /nfs/dbraw/zinc/31/76/53/1205317653.db2.gz ATFADVKGSLXWLL-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[NH+]1C ZINC001092621693 1205330124 /nfs/dbraw/zinc/33/01/24/1205330124.db2.gz WZDASRVPJLZHFT-KLHDSHLOSA-N 2 1 364.490 0.160 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001092621693 1205330125 /nfs/dbraw/zinc/33/01/25/1205330125.db2.gz WZDASRVPJLZHFT-KLHDSHLOSA-N 2 1 364.490 0.160 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)CC[N@H+]1C ZINC001092621693 1205330127 /nfs/dbraw/zinc/33/01/27/1205330127.db2.gz WZDASRVPJLZHFT-KLHDSHLOSA-N 2 1 364.490 0.160 20 0 FCADMP CN(CC[NH3+])CCNC(=O)c1ccc(C[C@@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC001220517551 1224900200 /nfs/dbraw/zinc/90/02/00/1224900200.db2.gz PSDHRNUFAMDYKE-MRXNPFEDSA-N 2 1 364.490 0.518 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937875 1205962717 /nfs/dbraw/zinc/96/27/17/1205962717.db2.gz YRWJHVABQNCTAL-OIISXLGYSA-N 2 1 360.506 0.791 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056904 1206003732 /nfs/dbraw/zinc/00/37/32/1206003732.db2.gz VAYVALGFEUAGEB-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133434 1206032200 /nfs/dbraw/zinc/03/22/00/1206032200.db2.gz FJQGKJAPBGUFLQ-BRWVUGGUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137002 1206033993 /nfs/dbraw/zinc/03/39/93/1206033993.db2.gz IECHHPSYZAKMPY-RBSFLKMASA-N 2 1 361.490 0.922 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208689 1206057202 /nfs/dbraw/zinc/05/72/02/1206057202.db2.gz BAJPAUUVLALMCT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208689 1206057204 /nfs/dbraw/zinc/05/72/04/1206057204.db2.gz BAJPAUUVLALMCT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208689 1206057208 /nfs/dbraw/zinc/05/72/08/1206057208.db2.gz BAJPAUUVLALMCT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208689 1206057210 /nfs/dbraw/zinc/05/72/10/1206057210.db2.gz BAJPAUUVLALMCT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP [NH3+]C1CCN(c2nc(NCc3ccccc3-n3cnnn3)cc[nH+]2)CC1 ZINC001171418165 1206092996 /nfs/dbraw/zinc/09/29/96/1206092996.db2.gz OWWFHGZNTLASGR-UHFFFAOYSA-N 2 1 351.418 0.992 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001093673218 1206099854 /nfs/dbraw/zinc/09/98/54/1206099854.db2.gz MJEUHKQOYICQQB-KYJSFNMBSA-N 2 1 360.506 0.966 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093816968 1206134493 /nfs/dbraw/zinc/13/44/93/1206134493.db2.gz VRBXIUJMUKJTAD-IXDOHACOSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150921 1206151702 /nfs/dbraw/zinc/15/17/02/1206151702.db2.gz NYKZTQQCZBNFLJ-XGUBFFRZSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150921 1206151703 /nfs/dbraw/zinc/15/17/03/1206151703.db2.gz NYKZTQQCZBNFLJ-XGUBFFRZSA-N 2 1 365.478 0.167 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001094041922 1206174145 /nfs/dbraw/zinc/17/41/45/1206174145.db2.gz INOSNRFAKNFGHI-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)C1 ZINC001094041783 1206174355 /nfs/dbraw/zinc/17/43/55/1206174355.db2.gz FGZJNXGRPOIQQH-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)C2 ZINC001094043688 1206174867 /nfs/dbraw/zinc/17/48/67/1206174867.db2.gz SVRJWFZSPOUUMF-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001094110271 1206185741 /nfs/dbraw/zinc/18/57/41/1206185741.db2.gz DCMIFCXPVZXYND-HUUCEWRRSA-N 2 1 366.462 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001094114132 1206186514 /nfs/dbraw/zinc/18/65/14/1206186514.db2.gz ULPYIWZYKXWFCX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094220534 1206203182 /nfs/dbraw/zinc/20/31/82/1206203182.db2.gz FKDJSXJRGHILAL-OWCLPIDISA-N 2 1 363.510 0.609 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001094221808 1206203775 /nfs/dbraw/zinc/20/37/75/1206203775.db2.gz VQIURWUDCHPJNW-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094242304 1206210232 /nfs/dbraw/zinc/21/02/32/1206210232.db2.gz IPYKXNHHYQFYIZ-KYJSFNMBSA-N 2 1 371.489 0.697 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)CC[N@H+]1C ZINC001094419799 1206223781 /nfs/dbraw/zinc/22/37/81/1206223781.db2.gz DXKDVFOIHWZHKG-YWTNHNAXSA-N 2 1 360.506 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)CC[NH+]1C ZINC001094419799 1206223785 /nfs/dbraw/zinc/22/37/85/1206223785.db2.gz DXKDVFOIHWZHKG-YWTNHNAXSA-N 2 1 360.506 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)CC[NH+]1C ZINC001094419799 1206223787 /nfs/dbraw/zinc/22/37/87/1206223787.db2.gz DXKDVFOIHWZHKG-YWTNHNAXSA-N 2 1 360.506 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)CC[N@H+]1C ZINC001094419172 1206223903 /nfs/dbraw/zinc/22/39/03/1206223903.db2.gz VEDXAUFEIXKPKU-WOCWXWTJSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)CC[NH+]1C ZINC001094419172 1206223906 /nfs/dbraw/zinc/22/39/06/1206223906.db2.gz VEDXAUFEIXKPKU-WOCWXWTJSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)CC[NH+]1C ZINC001094419172 1206223908 /nfs/dbraw/zinc/22/39/08/1206223908.db2.gz VEDXAUFEIXKPKU-WOCWXWTJSA-N 2 1 362.518 0.920 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001691697921 1206252555 /nfs/dbraw/zinc/25/25/55/1206252555.db2.gz MBIFFPIFXXBZJK-KSZLIROESA-N 2 1 363.506 0.825 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013547 1206254413 /nfs/dbraw/zinc/25/44/13/1206254413.db2.gz JFCUOLMIMFOEOV-BGTYHANMSA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013547 1206254418 /nfs/dbraw/zinc/25/44/18/1206254418.db2.gz JFCUOLMIMFOEOV-BGTYHANMSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013547 1206254421 /nfs/dbraw/zinc/25/44/21/1206254421.db2.gz JFCUOLMIMFOEOV-BGTYHANMSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]21 ZINC001172013547 1206254425 /nfs/dbraw/zinc/25/44/25/1206254425.db2.gz JFCUOLMIMFOEOV-BGTYHANMSA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015361 1206254735 /nfs/dbraw/zinc/25/47/35/1206254735.db2.gz PKKYVXPAFFSMID-GOSISDBHSA-N 2 1 372.513 0.964 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)C(C)C ZINC001220575374 1224943673 /nfs/dbraw/zinc/94/36/73/1224943673.db2.gz ULUKZPPKNKSATL-SOLBZPMBSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)C(C)C ZINC001220575374 1224943678 /nfs/dbraw/zinc/94/36/78/1224943678.db2.gz ULUKZPPKNKSATL-SOLBZPMBSA-N 2 1 368.522 0.137 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810253 1206365651 /nfs/dbraw/zinc/36/56/51/1206365651.db2.gz AKPHWPHPZLJWFC-IAGOWNOFSA-N 2 1 370.538 0.840 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810253 1206365655 /nfs/dbraw/zinc/36/56/55/1206365655.db2.gz AKPHWPHPZLJWFC-IAGOWNOFSA-N 2 1 370.538 0.840 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220643315 1224981935 /nfs/dbraw/zinc/98/19/35/1224981935.db2.gz ZXKLFJCEZSPVGD-MSOLQXFVSA-N 2 1 365.449 0.598 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001220643315 1224981944 /nfs/dbraw/zinc/98/19/44/1224981944.db2.gz ZXKLFJCEZSPVGD-MSOLQXFVSA-N 2 1 365.449 0.598 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944633 1207403936 /nfs/dbraw/zinc/40/39/36/1207403936.db2.gz LOLJVOVVFFVDNS-OKZBNKHCSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944633 1207403942 /nfs/dbraw/zinc/40/39/42/1207403942.db2.gz LOLJVOVVFFVDNS-OKZBNKHCSA-N 2 1 362.518 0.728 20 0 FCADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187971475 1207405236 /nfs/dbraw/zinc/40/52/36/1207405236.db2.gz MIGKCPBQHWPXIA-IXDOHACOSA-N 2 1 364.490 0.938 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187971475 1207405242 /nfs/dbraw/zinc/40/52/42/1207405242.db2.gz MIGKCPBQHWPXIA-IXDOHACOSA-N 2 1 364.490 0.938 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405517 1207454158 /nfs/dbraw/zinc/45/41/58/1207454158.db2.gz JIQWXRWKZWCBOS-FUHWJXTLSA-N 2 1 369.473 0.732 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405853 1207454210 /nfs/dbraw/zinc/45/42/10/1207454210.db2.gz QTUHNIVLPAALHF-WMLDXEAASA-N 2 1 355.442 0.925 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405853 1207454212 /nfs/dbraw/zinc/45/42/12/1207454212.db2.gz QTUHNIVLPAALHF-WMLDXEAASA-N 2 1 355.442 0.925 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000775160354 1207454818 /nfs/dbraw/zinc/45/48/18/1207454818.db2.gz NOCPCPJUFMDXLC-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)nn1 ZINC001188962808 1207493476 /nfs/dbraw/zinc/49/34/76/1207493476.db2.gz GTLYJERYVSGDMI-GOEBONIOSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)nn1 ZINC001188962808 1207493478 /nfs/dbraw/zinc/49/34/78/1207493478.db2.gz GTLYJERYVSGDMI-GOEBONIOSA-N 2 1 359.474 0.860 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001189034220 1207497380 /nfs/dbraw/zinc/49/73/80/1207497380.db2.gz CJNJECZGSFHUIN-DLBZAZTESA-N 2 1 359.474 0.182 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001189034220 1207497390 /nfs/dbraw/zinc/49/73/90/1207497390.db2.gz CJNJECZGSFHUIN-DLBZAZTESA-N 2 1 359.474 0.182 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](CC)CC ZINC001189110046 1207501439 /nfs/dbraw/zinc/50/14/39/1207501439.db2.gz LATWELPUZKQWCN-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](CC)CC ZINC001189110046 1207501444 /nfs/dbraw/zinc/50/14/44/1207501444.db2.gz LATWELPUZKQWCN-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118399 1207503163 /nfs/dbraw/zinc/50/31/63/1207503163.db2.gz WCOXXUQHWTYGTC-BPQIPLTHSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118399 1207503166 /nfs/dbraw/zinc/50/31/66/1207503166.db2.gz WCOXXUQHWTYGTC-BPQIPLTHSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118399 1207503171 /nfs/dbraw/zinc/50/31/71/1207503171.db2.gz WCOXXUQHWTYGTC-BPQIPLTHSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126653 1207509093 /nfs/dbraw/zinc/50/90/93/1207509093.db2.gz JJFNFOMDCJKDAG-IXDOHACOSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126653 1207509100 /nfs/dbraw/zinc/50/91/00/1207509100.db2.gz JJFNFOMDCJKDAG-IXDOHACOSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126653 1207509110 /nfs/dbraw/zinc/50/91/10/1207509110.db2.gz JJFNFOMDCJKDAG-IXDOHACOSA-N 2 1 365.522 0.569 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)C2 ZINC001189136439 1207511460 /nfs/dbraw/zinc/51/14/60/1207511460.db2.gz YBWLCXZRUPHJIO-XYJFISCASA-N 2 1 362.474 0.296 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001189136439 1207511463 /nfs/dbraw/zinc/51/14/63/1207511463.db2.gz YBWLCXZRUPHJIO-XYJFISCASA-N 2 1 362.474 0.296 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189668781 1207580582 /nfs/dbraw/zinc/58/05/82/1207580582.db2.gz OPKOIQYSUUECEH-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189668781 1207580586 /nfs/dbraw/zinc/58/05/86/1207580586.db2.gz OPKOIQYSUUECEH-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189668781 1207580591 /nfs/dbraw/zinc/58/05/91/1207580591.db2.gz OPKOIQYSUUECEH-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189668781 1207580597 /nfs/dbraw/zinc/58/05/97/1207580597.db2.gz OPKOIQYSUUECEH-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820164 1207606356 /nfs/dbraw/zinc/60/63/56/1207606356.db2.gz SWHSTVLBXKIAOP-YESZJQIVSA-N 2 1 368.522 0.353 20 0 FCADMP COc1ncccc1C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802386 1207609668 /nfs/dbraw/zinc/60/96/68/1207609668.db2.gz XOLRYUCGLIDETD-DOTOQJQBSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ncccc1C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802386 1207609675 /nfs/dbraw/zinc/60/96/75/1207609675.db2.gz XOLRYUCGLIDETD-DOTOQJQBSA-N 2 1 362.474 0.701 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189802390 1207610741 /nfs/dbraw/zinc/61/07/41/1207610741.db2.gz XZHCSDZCNNPXQT-HYVNUMGLSA-N 2 1 360.502 0.530 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001189802390 1207610746 /nfs/dbraw/zinc/61/07/46/1207610746.db2.gz XZHCSDZCNNPXQT-HYVNUMGLSA-N 2 1 360.502 0.530 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189922886 1207621848 /nfs/dbraw/zinc/62/18/48/1207621848.db2.gz FSYRWAOCPNYTRG-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCOCC)C[C@H]21 ZINC001189890672 1207623540 /nfs/dbraw/zinc/62/35/40/1207623540.db2.gz GPNWQTQCNACKOC-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCOCC)C[C@H]21 ZINC001189890672 1207623546 /nfs/dbraw/zinc/62/35/46/1207623546.db2.gz GPNWQTQCNACKOC-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001189890672 1207623550 /nfs/dbraw/zinc/62/35/50/1207623550.db2.gz GPNWQTQCNACKOC-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001189890672 1207623554 /nfs/dbraw/zinc/62/35/54/1207623554.db2.gz GPNWQTQCNACKOC-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220682924 1225011338 /nfs/dbraw/zinc/01/13/38/1225011338.db2.gz HUBNGPKWSMIKTB-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220682924 1225011347 /nfs/dbraw/zinc/01/13/47/1225011347.db2.gz HUBNGPKWSMIKTB-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220682924 1225011354 /nfs/dbraw/zinc/01/13/54/1225011354.db2.gz HUBNGPKWSMIKTB-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O ZINC001220682924 1225011364 /nfs/dbraw/zinc/01/13/64/1225011364.db2.gz HUBNGPKWSMIKTB-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238455 1207666903 /nfs/dbraw/zinc/66/69/03/1207666903.db2.gz NCEVOFMYYNGBFD-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238455 1207666905 /nfs/dbraw/zinc/66/69/05/1207666905.db2.gz NCEVOFMYYNGBFD-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238455 1207666908 /nfs/dbraw/zinc/66/69/08/1207666908.db2.gz NCEVOFMYYNGBFD-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238455 1207666911 /nfs/dbraw/zinc/66/69/11/1207666911.db2.gz NCEVOFMYYNGBFD-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)nc1=O ZINC001190324197 1207675979 /nfs/dbraw/zinc/67/59/79/1207675979.db2.gz IHXYXMKPYXJOBA-LSDHHAIUSA-N 2 1 362.478 0.017 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001273660022 1207877338 /nfs/dbraw/zinc/87/73/38/1207877338.db2.gz OXMAOUUDDPTISK-KDOFPFPSSA-N 2 1 362.478 0.326 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001193774922 1207888373 /nfs/dbraw/zinc/88/83/73/1207888373.db2.gz XYZQGQACKUKHPR-QZTJIDSGSA-N 2 1 361.486 0.883 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193755940 1207890470 /nfs/dbraw/zinc/89/04/70/1207890470.db2.gz NPWDEALLPSEINJ-QRVBRYPASA-N 2 1 360.502 0.754 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O ZINC001193755359 1207890479 /nfs/dbraw/zinc/89/04/79/1207890479.db2.gz JKSMDUBZZCIUSJ-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O ZINC001193755359 1207890481 /nfs/dbraw/zinc/89/04/81/1207890481.db2.gz JKSMDUBZZCIUSJ-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103083 1207918902 /nfs/dbraw/zinc/91/89/02/1207918902.db2.gz UMDOXAXUAVCEOR-IAGOWNOFSA-N 2 1 371.522 0.321 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289828 1207934325 /nfs/dbraw/zinc/93/43/25/1207934325.db2.gz PDMGUNYOCLQQJK-KBAYOESNSA-N 2 1 362.474 0.496 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001194729050 1207974689 /nfs/dbraw/zinc/97/46/89/1207974689.db2.gz NUJFPBZBOOXTLW-QZTJIDSGSA-N 2 1 358.442 0.822 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001194729050 1207974692 /nfs/dbraw/zinc/97/46/92/1207974692.db2.gz NUJFPBZBOOXTLW-QZTJIDSGSA-N 2 1 358.442 0.822 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001195677583 1208032515 /nfs/dbraw/zinc/03/25/15/1208032515.db2.gz UAUCCBRZRZCNHN-KZNAEPCWSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195701423 1208035951 /nfs/dbraw/zinc/03/59/51/1208035951.db2.gz MOFARFKFNUWMLL-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195701423 1208035955 /nfs/dbraw/zinc/03/59/55/1208035955.db2.gz MOFARFKFNUWMLL-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCN(CCNC(=O)NC(C)C)CC2)CC[N@H+]1C ZINC001195900026 1208044298 /nfs/dbraw/zinc/04/42/98/1208044298.db2.gz HDZSAOUHHFLGHT-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCNC(=O)NC(C)C)CC2)CC[N@@H+]1C ZINC001195900026 1208044303 /nfs/dbraw/zinc/04/43/03/1208044303.db2.gz HDZSAOUHHFLGHT-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCNC(=O)NC(C)C)CC2)CC[N@H+]1C ZINC001195900026 1208044307 /nfs/dbraw/zinc/04/43/07/1208044307.db2.gz HDZSAOUHHFLGHT-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCNC(=O)NC(C)C)CC2)CC[NH+]1C ZINC001195900026 1208044309 /nfs/dbraw/zinc/04/43/09/1208044309.db2.gz HDZSAOUHHFLGHT-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCNC(=O)NC(C)C)CC2)CC[NH+]1C ZINC001195900026 1208044312 /nfs/dbraw/zinc/04/43/12/1208044312.db2.gz HDZSAOUHHFLGHT-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O)[NH+](CC)CC ZINC001196133467 1208057402 /nfs/dbraw/zinc/05/74/02/1208057402.db2.gz WJSSMCXJNBUZMC-FGTMMUONSA-N 2 1 365.522 0.782 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O)[NH+](CC)CC ZINC001196133467 1208057405 /nfs/dbraw/zinc/05/74/05/1208057405.db2.gz WJSSMCXJNBUZMC-FGTMMUONSA-N 2 1 365.522 0.782 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196122482 1208059373 /nfs/dbraw/zinc/05/93/73/1208059373.db2.gz CISZNXBZQIEQAI-GUDVDZBRSA-N 2 1 363.502 0.961 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196122482 1208059376 /nfs/dbraw/zinc/05/93/76/1208059376.db2.gz CISZNXBZQIEQAI-GUDVDZBRSA-N 2 1 363.502 0.961 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123475 1208059403 /nfs/dbraw/zinc/05/94/03/1208059403.db2.gz SGEFWHKNIRQKDT-FGTMMUONSA-N 2 1 365.522 0.727 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123475 1208059405 /nfs/dbraw/zinc/05/94/05/1208059405.db2.gz SGEFWHKNIRQKDT-FGTMMUONSA-N 2 1 365.522 0.727 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196124008 1208060214 /nfs/dbraw/zinc/06/02/14/1208060214.db2.gz YJVVDBLFYKLFMM-IXDOHACOSA-N 2 1 366.510 0.177 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196124008 1208060217 /nfs/dbraw/zinc/06/02/17/1208060217.db2.gz YJVVDBLFYKLFMM-IXDOHACOSA-N 2 1 366.510 0.177 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCOCc2ccccc2)C[C@H]1O ZINC001196169372 1208062898 /nfs/dbraw/zinc/06/28/98/1208062898.db2.gz RMARTXFLHHSHRF-BHIYHBOVSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001196169372 1208062899 /nfs/dbraw/zinc/06/28/99/1208062899.db2.gz RMARTXFLHHSHRF-BHIYHBOVSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001196169372 1208062901 /nfs/dbraw/zinc/06/29/01/1208062901.db2.gz RMARTXFLHHSHRF-BHIYHBOVSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001196169372 1208062904 /nfs/dbraw/zinc/06/29/04/1208062904.db2.gz RMARTXFLHHSHRF-BHIYHBOVSA-N 2 1 361.486 0.849 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CC1 ZINC001196925038 1208119413 /nfs/dbraw/zinc/11/94/13/1208119413.db2.gz IDHRPYYBOOWCAV-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1)C1CC1 ZINC001196925038 1208119415 /nfs/dbraw/zinc/11/94/15/1208119415.db2.gz IDHRPYYBOOWCAV-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000896 1208128048 /nfs/dbraw/zinc/12/80/48/1208128048.db2.gz NSRWMNFWQYRGHD-IXDOHACOSA-N 2 1 370.538 0.704 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197049326 1208131129 /nfs/dbraw/zinc/13/11/29/1208131129.db2.gz MHPBAENNBWKTQU-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197049326 1208131131 /nfs/dbraw/zinc/13/11/31/1208131131.db2.gz MHPBAENNBWKTQU-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197274754 1208149695 /nfs/dbraw/zinc/14/96/95/1208149695.db2.gz XXJHVRSDUZZQPA-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197274754 1208149697 /nfs/dbraw/zinc/14/96/97/1208149697.db2.gz XXJHVRSDUZZQPA-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197272966 1208149884 /nfs/dbraw/zinc/14/98/84/1208149884.db2.gz BRDTVKXYVFMEAU-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197272966 1208149891 /nfs/dbraw/zinc/14/98/91/1208149891.db2.gz BRDTVKXYVFMEAU-IAGOWNOFSA-N 2 1 359.430 0.469 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404081 1208160652 /nfs/dbraw/zinc/16/06/52/1208160652.db2.gz OJRIXOQAOXICNE-BRWVUGGUSA-N 2 1 368.522 0.312 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404081 1208160655 /nfs/dbraw/zinc/16/06/55/1208160655.db2.gz OJRIXOQAOXICNE-BRWVUGGUSA-N 2 1 368.522 0.312 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001197493236 1208171305 /nfs/dbraw/zinc/17/13/05/1208171305.db2.gz HIARUNXJJAURIC-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001197493236 1208171308 /nfs/dbraw/zinc/17/13/08/1208171308.db2.gz HIARUNXJJAURIC-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001197493236 1208171311 /nfs/dbraw/zinc/17/13/11/1208171311.db2.gz HIARUNXJJAURIC-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199096703 1208317899 /nfs/dbraw/zinc/31/78/99/1208317899.db2.gz RKJYSENOYPVZJE-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199096703 1208317903 /nfs/dbraw/zinc/31/79/03/1208317903.db2.gz RKJYSENOYPVZJE-KZNAEPCWSA-N 2 1 371.522 0.321 20 0 FCADMP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199111972 1208322038 /nfs/dbraw/zinc/32/20/38/1208322038.db2.gz UVEWXKHYXNLXRS-GUDVDZBRSA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199111972 1208322041 /nfs/dbraw/zinc/32/20/41/1208322041.db2.gz UVEWXKHYXNLXRS-GUDVDZBRSA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001199111972 1208322045 /nfs/dbraw/zinc/32/20/45/1208322045.db2.gz UVEWXKHYXNLXRS-GUDVDZBRSA-N 2 1 363.502 0.784 20 0 FCADMP CCc1ccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001199111972 1208322048 /nfs/dbraw/zinc/32/20/48/1208322048.db2.gz UVEWXKHYXNLXRS-GUDVDZBRSA-N 2 1 363.502 0.784 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112076 1208322075 /nfs/dbraw/zinc/32/20/75/1208322075.db2.gz ZZNWGPONNHFYMM-GUDVDZBRSA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112076 1208322079 /nfs/dbraw/zinc/32/20/79/1208322079.db2.gz ZZNWGPONNHFYMM-GUDVDZBRSA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112076 1208322081 /nfs/dbraw/zinc/32/20/81/1208322081.db2.gz ZZNWGPONNHFYMM-GUDVDZBRSA-N 2 1 363.502 0.482 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199398525 1208348755 /nfs/dbraw/zinc/34/87/55/1208348755.db2.gz UBIAVKJURYJDMT-GVDBMIGSSA-N 2 1 366.462 0.020 20 0 FCADMP O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1O ZINC001199406252 1208349854 /nfs/dbraw/zinc/34/98/54/1208349854.db2.gz QWEHPHLAYDVQDE-QZTJIDSGSA-N 2 1 358.442 0.904 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)c1ccccc1 ZINC001220768556 1225062090 /nfs/dbraw/zinc/06/20/90/1225062090.db2.gz QZKDDIVIMGHWSG-SQNIBIBYSA-N 2 1 365.474 0.114 20 0 FCADMP C[N@H+]1CCC[C@@H](C(=O)N2CC3(CCN3C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835739 1208406747 /nfs/dbraw/zinc/40/67/47/1208406747.db2.gz QIIIAGGIECRSLA-IAGOWNOFSA-N 2 1 360.502 0.626 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@@H]1O ZINC001220768612 1225063566 /nfs/dbraw/zinc/06/35/66/1225063566.db2.gz VFTFLASSZZDYJX-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP C[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)CS(C)(=O)=O ZINC001691705693 1208437853 /nfs/dbraw/zinc/43/78/53/1208437853.db2.gz AMFQHMDKDCEINK-DGXTUMSLSA-N 2 1 359.536 0.492 20 0 FCADMP CC(C)COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229416 1208449363 /nfs/dbraw/zinc/44/93/63/1208449363.db2.gz BUZFXUBEOPXAKT-BPQIPLTHSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229416 1208449365 /nfs/dbraw/zinc/44/93/65/1208449365.db2.gz BUZFXUBEOPXAKT-BPQIPLTHSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229351 1208449422 /nfs/dbraw/zinc/44/94/22/1208449422.db2.gz BBFWRYBHKMFMGV-HLLBOEOZSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229351 1208449424 /nfs/dbraw/zinc/44/94/24/1208449424.db2.gz BBFWRYBHKMFMGV-HLLBOEOZSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCOC[C@H]3CCCO3)CC2)O1 ZINC001201238876 1208449864 /nfs/dbraw/zinc/44/98/64/1208449864.db2.gz DMKLFSDCVAFVQI-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCOC[C@H]3CCCO3)CC2)O1 ZINC001201238876 1208449868 /nfs/dbraw/zinc/44/98/68/1208449868.db2.gz DMKLFSDCVAFVQI-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001489194225 1208657303 /nfs/dbraw/zinc/65/73/03/1208657303.db2.gz VJLTXVIDXUBBGX-ILXRZTDVSA-N 2 1 366.462 0.137 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001489194225 1208657307 /nfs/dbraw/zinc/65/73/07/1208657307.db2.gz VJLTXVIDXUBBGX-ILXRZTDVSA-N 2 1 366.462 0.137 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2CC)C[C@@H]1O ZINC001220830589 1225093279 /nfs/dbraw/zinc/09/32/79/1225093279.db2.gz CWFSSPGDDCABJU-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001489589837 1209009400 /nfs/dbraw/zinc/00/94/00/1209009400.db2.gz ILVWECZNNRCZIO-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000850691529 1209482739 /nfs/dbraw/zinc/48/27/39/1209482739.db2.gz POUTTYXHVJTBAD-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000850691529 1209482743 /nfs/dbraw/zinc/48/27/43/1209482743.db2.gz POUTTYXHVJTBAD-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000850691529 1209482744 /nfs/dbraw/zinc/48/27/44/1209482744.db2.gz POUTTYXHVJTBAD-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000850691529 1209482745 /nfs/dbraw/zinc/48/27/45/1209482745.db2.gz POUTTYXHVJTBAD-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000851685086 1209511805 /nfs/dbraw/zinc/51/18/05/1209511805.db2.gz MKTZMOQKVKCRIQ-UHFFFAOYSA-N 2 1 356.430 0.580 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110668080 1209592337 /nfs/dbraw/zinc/59/23/37/1209592337.db2.gz VZVCGQNLBDULLI-BDXSIMOUSA-N 2 1 366.506 0.201 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001110684635 1209626197 /nfs/dbraw/zinc/62/61/97/1209626197.db2.gz RUMNGCUUCIVIDC-VQHPVUNQSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110684635 1209626204 /nfs/dbraw/zinc/62/62/04/1209626204.db2.gz RUMNGCUUCIVIDC-VQHPVUNQSA-N 2 1 363.506 0.608 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110684635 1209626209 /nfs/dbraw/zinc/62/62/09/1209626209.db2.gz RUMNGCUUCIVIDC-VQHPVUNQSA-N 2 1 363.506 0.608 20 0 FCADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087283 1209738918 /nfs/dbraw/zinc/73/89/18/1209738918.db2.gz RTOUPJPVXFZWJU-GUYCJALGSA-N 2 1 363.462 0.476 20 0 FCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087283 1209738923 /nfs/dbraw/zinc/73/89/23/1209738923.db2.gz RTOUPJPVXFZWJU-GUYCJALGSA-N 2 1 363.462 0.476 20 0 FCADMP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746594 1209790007 /nfs/dbraw/zinc/79/00/07/1209790007.db2.gz VIMPIIMXRUHNLE-ZACQAIPSSA-N 2 1 359.474 0.766 20 0 FCADMP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746594 1209790013 /nfs/dbraw/zinc/79/00/13/1209790013.db2.gz VIMPIIMXRUHNLE-ZACQAIPSSA-N 2 1 359.474 0.766 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859642285 1209826916 /nfs/dbraw/zinc/82/69/16/1209826916.db2.gz QBDXHXMRGMRPQK-CYBMUJFWSA-N 2 1 363.462 0.894 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975904 1225169769 /nfs/dbraw/zinc/16/97/69/1225169769.db2.gz AFVNMKKCXOPKKH-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975904 1225169772 /nfs/dbraw/zinc/16/97/72/1225169772.db2.gz AFVNMKKCXOPKKH-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975904 1225169776 /nfs/dbraw/zinc/16/97/76/1225169776.db2.gz AFVNMKKCXOPKKH-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863752895 1209949836 /nfs/dbraw/zinc/94/98/36/1209949836.db2.gz IEPBTRFGSTXLTD-HNNXBMFYSA-N 2 1 362.474 0.535 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863752895 1209949841 /nfs/dbraw/zinc/94/98/41/1209949841.db2.gz IEPBTRFGSTXLTD-HNNXBMFYSA-N 2 1 362.474 0.535 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000866540866 1209998247 /nfs/dbraw/zinc/99/82/47/1209998247.db2.gz SFVQLDGNDKEIFD-GVDRCSPZSA-N 2 1 366.481 0.522 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000866540866 1209998252 /nfs/dbraw/zinc/99/82/52/1209998252.db2.gz SFVQLDGNDKEIFD-GVDRCSPZSA-N 2 1 366.481 0.522 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](F)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000866540866 1209998256 /nfs/dbraw/zinc/99/82/56/1209998256.db2.gz SFVQLDGNDKEIFD-GVDRCSPZSA-N 2 1 366.481 0.522 20 0 FCADMP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866710850 1210003841 /nfs/dbraw/zinc/00/38/41/1210003841.db2.gz WMRXRKTVSIIHRI-BBWFWOEESA-N 2 1 358.442 0.755 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C[NH+]1CCOCC1 ZINC000868369498 1210055891 /nfs/dbraw/zinc/05/58/91/1210055891.db2.gz UWPUUKVVKOFAKE-KRWDZBQOSA-N 2 1 367.538 0.376 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875168485 1210345968 /nfs/dbraw/zinc/34/59/68/1210345968.db2.gz WOJXZNIVCCGGNR-MRXNPFEDSA-N 2 1 367.538 0.071 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221073190 1225209839 /nfs/dbraw/zinc/20/98/39/1225209839.db2.gz KLVMSGBMOZSLDF-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073498 1225211049 /nfs/dbraw/zinc/21/10/49/1225211049.db2.gz YUSBZFOJJHBUSB-KURKYZTESA-N 2 1 371.522 0.057 20 0 FCADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000876781200 1210429754 /nfs/dbraw/zinc/42/97/54/1210429754.db2.gz MFZBURPAZLKODU-KRWDZBQOSA-N 2 1 362.522 0.873 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000877229885 1210439953 /nfs/dbraw/zinc/43/99/53/1210439953.db2.gz SHTBRLACJMQUQO-INIZCTEOSA-N 2 1 369.469 0.995 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000877229885 1210439957 /nfs/dbraw/zinc/43/99/57/1210439957.db2.gz SHTBRLACJMQUQO-INIZCTEOSA-N 2 1 369.469 0.995 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246817 1210440872 /nfs/dbraw/zinc/44/08/72/1210440872.db2.gz QJFXOWLVJHRJSU-IECFSIQFSA-N 2 1 362.518 0.966 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)CC1 ZINC000879992887 1210510149 /nfs/dbraw/zinc/51/01/49/1210510149.db2.gz MUETXQWZQKJUGW-SFHVURJKSA-N 3 1 366.550 0.756 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091871 1225219831 /nfs/dbraw/zinc/21/98/31/1225219831.db2.gz YXYJZBFUNPNFGT-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091871 1225219836 /nfs/dbraw/zinc/21/98/36/1225219836.db2.gz YXYJZBFUNPNFGT-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880297355 1210526811 /nfs/dbraw/zinc/52/68/11/1210526811.db2.gz MCJOCCLKJINUKY-ZDUSSCGKSA-N 2 1 361.425 0.303 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000883128263 1210654502 /nfs/dbraw/zinc/65/45/02/1210654502.db2.gz ZTUBMOXZAXJYOM-OAHLLOKOSA-N 2 1 374.489 0.512 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC000883457998 1210668806 /nfs/dbraw/zinc/66/88/06/1210668806.db2.gz UJERAEPGJXGZIG-CVEARBPZSA-N 2 1 365.522 0.985 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883606523 1210673517 /nfs/dbraw/zinc/67/35/17/1210673517.db2.gz UTFSURCHROZAFL-QGZVFWFLSA-N 2 1 359.474 0.717 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883604902 1210673795 /nfs/dbraw/zinc/67/37/95/1210673795.db2.gz HHUCTWLGWKAENX-CRAIPNDOSA-N 2 1 371.485 0.730 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883611555 1210674927 /nfs/dbraw/zinc/67/49/27/1210674927.db2.gz BNYXOAXKITUUKX-RVKKMQEKSA-N 2 1 371.485 0.763 20 0 FCADMP C[C@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC[NH2+]C1 ZINC000883611401 1210675267 /nfs/dbraw/zinc/67/52/67/1210675267.db2.gz XPSSOWCUCITDIZ-PXNSSMCTSA-N 2 1 371.485 0.778 20 0 FCADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000883647932 1210679812 /nfs/dbraw/zinc/67/98/12/1210679812.db2.gz ISNCXHVVWQBMHB-FUHWJXTLSA-N 2 1 374.485 0.721 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494201 1210739052 /nfs/dbraw/zinc/73/90/52/1210739052.db2.gz MZMOBISWRRHASN-LSDHHAIUSA-N 2 1 374.476 0.832 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884503931 1210740357 /nfs/dbraw/zinc/74/03/57/1210740357.db2.gz XUHCFNDVIYZEFI-BZSNNMDCSA-N 2 1 356.470 0.240 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000884539493 1210746699 /nfs/dbraw/zinc/74/66/99/1210746699.db2.gz BSOPNVKWNLKHNJ-RHSMWYFYSA-N 2 1 360.458 0.083 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000884540301 1210746910 /nfs/dbraw/zinc/74/69/10/1210746910.db2.gz YNGBLHZRNGGWDU-UHFFFAOYSA-N 2 1 362.474 0.379 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000884553677 1210749385 /nfs/dbraw/zinc/74/93/85/1210749385.db2.gz FAROWOGXNIKZCI-KBRIMQKVSA-N 2 1 356.470 0.559 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884597496 1210758320 /nfs/dbraw/zinc/75/83/20/1210758320.db2.gz BYQHTERTMVPNFI-UHFFFAOYSA-N 2 1 367.538 0.250 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000884599726 1210758656 /nfs/dbraw/zinc/75/86/56/1210758656.db2.gz JLNBGIFNJRKEMX-GVDBMIGSSA-N 2 1 373.501 0.261 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884603526 1210760744 /nfs/dbraw/zinc/76/07/44/1210760744.db2.gz LPPNHKXFHDGJJL-ZWKOTPCHSA-N 2 1 374.485 0.044 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626122 1210765691 /nfs/dbraw/zinc/76/56/91/1210765691.db2.gz BCIUEFORGBAFBB-IAGOWNOFSA-N 2 1 356.470 0.692 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000884629844 1210766932 /nfs/dbraw/zinc/76/69/32/1210766932.db2.gz FUPXKYFDCAGKAE-RANZSIQMSA-N 2 1 356.470 0.728 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669651 1210775424 /nfs/dbraw/zinc/77/54/24/1210775424.db2.gz CDWVOKUCFJDFAN-ROUUACIJSA-N 2 1 356.470 0.692 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675878 1210776628 /nfs/dbraw/zinc/77/66/28/1210776628.db2.gz TZFMYQNKYXNNKW-RDJZCZTQSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000884673863 1210777289 /nfs/dbraw/zinc/77/72/89/1210777289.db2.gz HUQCXQYZQOGPLA-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000884673863 1210777293 /nfs/dbraw/zinc/77/72/93/1210777293.db2.gz HUQCXQYZQOGPLA-MSOLQXFVSA-N 2 1 374.485 0.180 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884675729 1210777520 /nfs/dbraw/zinc/77/75/20/1210777520.db2.gz NSQWEOYVWGYMKE-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884675729 1210777529 /nfs/dbraw/zinc/77/75/29/1210777529.db2.gz NSQWEOYVWGYMKE-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000884688438 1210781018 /nfs/dbraw/zinc/78/10/18/1210781018.db2.gz CIZSJCUDTYZDNT-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000884688438 1210781021 /nfs/dbraw/zinc/78/10/21/1210781021.db2.gz CIZSJCUDTYZDNT-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000884691357 1210782286 /nfs/dbraw/zinc/78/22/86/1210782286.db2.gz FKXDJEWAESOJEY-FUHWJXTLSA-N 2 1 358.486 0.801 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884698228 1210783110 /nfs/dbraw/zinc/78/31/10/1210783110.db2.gz KWVZSNHPZYEUOG-BPQIPLTHSA-N 2 1 358.486 0.678 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884698229 1210783477 /nfs/dbraw/zinc/78/34/77/1210783477.db2.gz KWVZSNHPZYEUOG-RYQLBKOJSA-N 2 1 358.486 0.678 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)NCC3([NH3+])CCC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884715093 1210785607 /nfs/dbraw/zinc/78/56/07/1210785607.db2.gz IZGIKBXEJRWXSX-FXAWDEMLSA-N 2 1 370.497 0.965 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)C1 ZINC000884787523 1210795998 /nfs/dbraw/zinc/79/59/98/1210795998.db2.gz VBAIQTKUPIGIOC-AEFFLSMTSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)C1 ZINC000884787523 1210796005 /nfs/dbraw/zinc/79/60/05/1210796005.db2.gz VBAIQTKUPIGIOC-AEFFLSMTSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000884832813 1210800101 /nfs/dbraw/zinc/80/01/01/1210800101.db2.gz AMCVGWZWAJXPBQ-JOCBIADPSA-N 2 1 358.486 0.676 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834481 1210800562 /nfs/dbraw/zinc/80/05/62/1210800562.db2.gz XCKUJOULTQMWAL-WZGPROSRSA-N 2 1 370.497 0.834 20 0 FCADMP CN(C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884847891 1210801141 /nfs/dbraw/zinc/80/11/41/1210801141.db2.gz LGFHMDZSDOJSMG-KRWDZBQOSA-N 2 1 356.470 0.644 20 0 FCADMP CN(C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884885644 1210803015 /nfs/dbraw/zinc/80/30/15/1210803015.db2.gz AVXNQNZCLIHYMC-FUHWJXTLSA-N 2 1 358.486 0.758 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884892815 1210803404 /nfs/dbraw/zinc/80/34/04/1210803404.db2.gz ZIBREDKIWIEUHF-MSOLQXFVSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000884972481 1210806023 /nfs/dbraw/zinc/80/60/23/1210806023.db2.gz PWJSKDWTKIJKMZ-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000884972481 1210806025 /nfs/dbraw/zinc/80/60/25/1210806025.db2.gz PWJSKDWTKIJKMZ-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884974322 1210806032 /nfs/dbraw/zinc/80/60/32/1210806032.db2.gz RWIDNWQBKVQPCZ-HNNXBMFYSA-N 2 1 368.522 0.186 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982633 1210806339 /nfs/dbraw/zinc/80/63/39/1210806339.db2.gz GXTYIBDYDFBRME-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000884982602 1210806430 /nfs/dbraw/zinc/80/64/30/1210806430.db2.gz GHRXAHGMBDYSHF-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000884984103 1210806772 /nfs/dbraw/zinc/80/67/72/1210806772.db2.gz QEYDBDUWQQXXQI-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000884984103 1210806774 /nfs/dbraw/zinc/80/67/74/1210806774.db2.gz QEYDBDUWQQXXQI-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)c1 ZINC000885018141 1210808987 /nfs/dbraw/zinc/80/89/87/1210808987.db2.gz JPAFIGHJPHIRAW-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)c1 ZINC000885018141 1210808989 /nfs/dbraw/zinc/80/89/89/1210808989.db2.gz JPAFIGHJPHIRAW-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000885018038 1210809071 /nfs/dbraw/zinc/80/90/71/1210809071.db2.gz IDMMAIKADJNXDN-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000885018038 1210809072 /nfs/dbraw/zinc/80/90/72/1210809072.db2.gz IDMMAIKADJNXDN-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)c1 ZINC000885018142 1210809075 /nfs/dbraw/zinc/80/90/75/1210809075.db2.gz JPAFIGHJPHIRAW-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)c1 ZINC000885018142 1210809076 /nfs/dbraw/zinc/80/90/76/1210809076.db2.gz JPAFIGHJPHIRAW-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885152754 1210812901 /nfs/dbraw/zinc/81/29/01/1210812901.db2.gz VXVZXUNGSYAGCH-FGTMMUONSA-N 2 1 356.470 0.370 20 0 FCADMP C[C@H](c1nnnn1C)N(C)[C@H]1CC[C@H]([N@H+](C)[C@H](C)c2nnnn2C)CC1 ZINC000886389235 1210828788 /nfs/dbraw/zinc/82/87/88/1210828788.db2.gz ABXNDWXSCQTHOE-AAVRWANBSA-N 2 1 362.486 0.731 20 0 FCADMP C[C@H](c1nnnn1C)N(C)[C@H]1CC[C@H]([N@@H+](C)[C@H](C)c2nnnn2C)CC1 ZINC000886389235 1210828789 /nfs/dbraw/zinc/82/87/89/1210828789.db2.gz ABXNDWXSCQTHOE-AAVRWANBSA-N 2 1 362.486 0.731 20 0 FCADMP C[C@H](c1nnnn1C)[NH+](C)[C@H]1CC[C@H]([N@@H+](C)[C@H](C)c2nnnn2C)CC1 ZINC000886389235 1210828792 /nfs/dbraw/zinc/82/87/92/1210828792.db2.gz ABXNDWXSCQTHOE-AAVRWANBSA-N 2 1 362.486 0.731 20 0 FCADMP C[C@H](c1nnnn1C)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@H](C)c2nnnn2C)CC1 ZINC000886389235 1210828795 /nfs/dbraw/zinc/82/87/95/1210828795.db2.gz ABXNDWXSCQTHOE-AAVRWANBSA-N 2 1 362.486 0.731 20 0 FCADMP [NH3+]Cc1cccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000826569199 1210856093 /nfs/dbraw/zinc/85/60/93/1210856093.db2.gz VIEBLFLVNAEHDF-UHFFFAOYSA-N 2 1 354.458 0.877 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000887699459 1210896632 /nfs/dbraw/zinc/89/66/32/1210896632.db2.gz AEQLPOBNURGKLH-MRXNPFEDSA-N 2 1 374.489 0.466 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274178375 1210905231 /nfs/dbraw/zinc/90/52/31/1210905231.db2.gz AUANMMICUTVIBZ-VMEOHVCESA-N 2 1 362.518 0.968 20 0 FCADMP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920574 /nfs/dbraw/zinc/92/05/74/1210920574.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 1 361.490 0.893 20 0 FCADMP CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920578 /nfs/dbraw/zinc/92/05/78/1210920578.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 1 361.490 0.893 20 0 FCADMP CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920582 /nfs/dbraw/zinc/92/05/82/1210920582.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 1 361.490 0.893 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000889433578 1210938979 /nfs/dbraw/zinc/93/89/79/1210938979.db2.gz GYLSPNUIEFYMKL-RDJZCZTQSA-N 2 1 374.489 0.642 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889742970 1210945792 /nfs/dbraw/zinc/94/57/92/1210945792.db2.gz CHSKXOGQYZQVTR-GMNCBBECSA-N 2 1 365.518 0.935 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)ccn2)CC1 ZINC000889770691 1210950193 /nfs/dbraw/zinc/95/01/93/1210950193.db2.gz UXUQZDYBCKNNNW-MSOLQXFVSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)ccn2)CC1 ZINC000889770691 1210950197 /nfs/dbraw/zinc/95/01/97/1210950197.db2.gz UXUQZDYBCKNNNW-MSOLQXFVSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)ccn2)CC1 ZINC000889770694 1210950487 /nfs/dbraw/zinc/95/04/87/1210950487.db2.gz UXUQZDYBCKNNNW-ZWKOTPCHSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)ccn2)CC1 ZINC000889770694 1210950489 /nfs/dbraw/zinc/95/04/89/1210950489.db2.gz UXUQZDYBCKNNNW-ZWKOTPCHSA-N 2 1 373.501 0.505 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000889805656 1210954627 /nfs/dbraw/zinc/95/46/27/1210954627.db2.gz QVYVZHLHXOMPLF-YJBOKZPZSA-N 2 1 373.501 0.976 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890057771 1210962863 /nfs/dbraw/zinc/96/28/63/1210962863.db2.gz NIVYQMQUIVDDEX-GOSISDBHSA-N 2 1 373.501 0.930 20 0 FCADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890138313 1210968574 /nfs/dbraw/zinc/96/85/74/1210968574.db2.gz WHVWZMUXALIVBD-GOSISDBHSA-N 2 1 365.522 0.344 20 0 FCADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890138313 1210968584 /nfs/dbraw/zinc/96/85/84/1210968584.db2.gz WHVWZMUXALIVBD-GOSISDBHSA-N 2 1 365.522 0.344 20 0 FCADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890138313 1210968586 /nfs/dbraw/zinc/96/85/86/1210968586.db2.gz WHVWZMUXALIVBD-GOSISDBHSA-N 2 1 365.522 0.344 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890138267 1210968616 /nfs/dbraw/zinc/96/86/16/1210968616.db2.gz VNBCKTZXAUYXFV-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138267 1210968621 /nfs/dbraw/zinc/96/86/21/1210968621.db2.gz VNBCKTZXAUYXFV-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138267 1210968623 /nfs/dbraw/zinc/96/86/23/1210968623.db2.gz VNBCKTZXAUYXFV-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001274397061 1211044239 /nfs/dbraw/zinc/04/42/39/1211044239.db2.gz MQYRGYBELHXPNU-QUCCMNQESA-N 2 1 366.550 0.972 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147126 1211179764 /nfs/dbraw/zinc/17/97/64/1211179764.db2.gz ALNFRLGZJGLRJR-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147126 1211179767 /nfs/dbraw/zinc/17/97/67/1211179767.db2.gz ALNFRLGZJGLRJR-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147126 1211179768 /nfs/dbraw/zinc/17/97/68/1211179768.db2.gz ALNFRLGZJGLRJR-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 ZINC001221221608 1225271957 /nfs/dbraw/zinc/27/19/57/1225271957.db2.gz RWOUOFVTKDADRT-HKUYNNGSSA-N 2 1 357.454 0.961 20 0 FCADMP Cc1ncc(CO)c(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001275335535 1211216631 /nfs/dbraw/zinc/21/66/31/1211216631.db2.gz NEEJBXOPQSBPJC-IBGZPJMESA-N 2 1 362.474 0.716 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343755 1211219332 /nfs/dbraw/zinc/21/93/32/1211219332.db2.gz SEDUHXVMCCQWOR-APWZRJJASA-N 2 1 366.506 0.430 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343755 1211219335 /nfs/dbraw/zinc/21/93/35/1211219335.db2.gz SEDUHXVMCCQWOR-APWZRJJASA-N 2 1 366.506 0.430 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCCN(Cc3cnc(C)n3C)C2)C1=O)OC ZINC001275392949 1211230523 /nfs/dbraw/zinc/23/05/23/1211230523.db2.gz XCYGXYNGQUYTHX-SFHVURJKSA-N 2 1 364.446 0.689 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447391 1211239168 /nfs/dbraw/zinc/23/91/68/1211239168.db2.gz JTKANBQOJBEYRZ-QFBILLFUSA-N 2 1 359.474 0.963 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447391 1211239171 /nfs/dbraw/zinc/23/91/71/1211239171.db2.gz JTKANBQOJBEYRZ-QFBILLFUSA-N 2 1 359.474 0.963 20 0 FCADMP COC(C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1)OC ZINC001275494193 1211250717 /nfs/dbraw/zinc/25/07/17/1211250717.db2.gz VMOTYTBHXUYQIF-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP COC(C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1)OC ZINC001275494193 1211250719 /nfs/dbraw/zinc/25/07/19/1211250719.db2.gz VMOTYTBHXUYQIF-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP COC(C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1)OC ZINC001275494193 1211250722 /nfs/dbraw/zinc/25/07/22/1211250722.db2.gz VMOTYTBHXUYQIF-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)OCC1=O ZINC001275504304 1211251560 /nfs/dbraw/zinc/25/15/60/1211251560.db2.gz LVIBWPVUYHLJCP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)OCC1=O ZINC001275504304 1211251563 /nfs/dbraw/zinc/25/15/63/1211251563.db2.gz LVIBWPVUYHLJCP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)OCC1=O ZINC001275504304 1211251566 /nfs/dbraw/zinc/25/15/66/1211251566.db2.gz LVIBWPVUYHLJCP-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507719 1211252046 /nfs/dbraw/zinc/25/20/46/1211252046.db2.gz HVONGICDMNJVAX-IBGZPJMESA-N 2 1 369.506 0.829 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507719 1211252048 /nfs/dbraw/zinc/25/20/48/1211252048.db2.gz HVONGICDMNJVAX-IBGZPJMESA-N 2 1 369.506 0.829 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511561 1211252559 /nfs/dbraw/zinc/25/25/59/1211252559.db2.gz KFOSWKRMJHULFP-LJQANCHMSA-N 2 1 363.506 0.811 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275511561 1211252560 /nfs/dbraw/zinc/25/25/60/1211252560.db2.gz KFOSWKRMJHULFP-LJQANCHMSA-N 2 1 363.506 0.811 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510899 1211252984 /nfs/dbraw/zinc/25/29/84/1211252984.db2.gz BDSOBQUQPMSWNN-HNAYVOBHSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510899 1211252986 /nfs/dbraw/zinc/25/29/86/1211252986.db2.gz BDSOBQUQPMSWNN-HNAYVOBHSA-N 2 1 366.506 0.156 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556951 1211256572 /nfs/dbraw/zinc/25/65/72/1211256572.db2.gz QWGNNNCRWBJPCQ-KXBFYZLASA-N 2 1 367.490 0.583 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O)OC ZINC001275556988 1211257050 /nfs/dbraw/zinc/25/70/50/1211257050.db2.gz RLNQSTVLWFDLGK-IBGZPJMESA-N 2 1 367.490 0.788 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C3)CC1 ZINC001275576964 1211259129 /nfs/dbraw/zinc/25/91/29/1211259129.db2.gz PTROSLBDAANSFD-HZPDHXFCSA-N 2 1 362.518 0.918 20 0 FCADMP O=C1C[C@@]2(CN1CC1CCOCC1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275737601 1211278681 /nfs/dbraw/zinc/27/86/81/1211278681.db2.gz LWWVPGSGNYAQOP-HXUWFJFHSA-N 2 1 365.518 0.964 20 0 FCADMP O=C1C[C@]2(CN1Cc1ncccn1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275737525 1211278895 /nfs/dbraw/zinc/27/88/95/1211278895.db2.gz LBEFWIHFOBZRKY-IBGZPJMESA-N 2 1 359.474 0.527 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738287 1211279208 /nfs/dbraw/zinc/27/92/08/1211279208.db2.gz XUFQENHZXDZELN-LJQANCHMSA-N 2 1 366.506 0.062 20 0 FCADMP CCOC(=O)[C@H](C)N1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275743410 1211280354 /nfs/dbraw/zinc/28/03/54/1211280354.db2.gz QUCIRXKXMHEHLB-HNNXBMFYSA-N 2 1 367.490 0.583 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc[nH]2)C1 ZINC001275817611 1211290631 /nfs/dbraw/zinc/29/06/31/1211290631.db2.gz PJYZQHPXZRREMO-XIRDDKMYSA-N 2 1 360.458 0.685 20 0 FCADMP CC(C)OC(=O)CN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833353 1211293642 /nfs/dbraw/zinc/29/36/42/1211293642.db2.gz CCFJLJKQMHCCJS-UHFFFAOYSA-N 2 1 367.490 0.583 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275833561 1211293731 /nfs/dbraw/zinc/29/37/31/1211293731.db2.gz KGIGSYUFVIUIJY-LJQANCHMSA-N 2 1 369.506 0.641 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC2=O)CCCCN3CC[NH+](C)C)CC1 ZINC001275841766 1211296037 /nfs/dbraw/zinc/29/60/37/1211296037.db2.gz DGVHOCRMGXVOMP-FQEVSTJZSA-N 2 1 365.566 0.643 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(CC(=O)OC(C)C)C(=O)CO3)CC1 ZINC001275879877 1211304447 /nfs/dbraw/zinc/30/44/47/1211304447.db2.gz QPSUQLIIAKCOBJ-UHFFFAOYSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879880 1211304458 /nfs/dbraw/zinc/30/44/58/1211304458.db2.gz QRZLNSVAYAFWFJ-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879880 1211304460 /nfs/dbraw/zinc/30/44/60/1211304460.db2.gz QRZLNSVAYAFWFJ-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879880 1211304462 /nfs/dbraw/zinc/30/44/62/1211304462.db2.gz QRZLNSVAYAFWFJ-FRQCXROJSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879881 1211304749 /nfs/dbraw/zinc/30/47/49/1211304749.db2.gz QRZLNSVAYAFWFJ-TXPKVOOTSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879881 1211304751 /nfs/dbraw/zinc/30/47/51/1211304751.db2.gz QRZLNSVAYAFWFJ-TXPKVOOTSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879881 1211304756 /nfs/dbraw/zinc/30/47/56/1211304756.db2.gz QRZLNSVAYAFWFJ-TXPKVOOTSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880724 1211305333 /nfs/dbraw/zinc/30/53/33/1211305333.db2.gz VUBHFFAQUQTVAX-GPMSIDNRSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880724 1211305334 /nfs/dbraw/zinc/30/53/34/1211305334.db2.gz VUBHFFAQUQTVAX-GPMSIDNRSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001275880724 1211305336 /nfs/dbraw/zinc/30/53/36/1211305336.db2.gz VUBHFFAQUQTVAX-GPMSIDNRSA-N 2 1 367.490 0.583 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880724 1211305339 /nfs/dbraw/zinc/30/53/39/1211305339.db2.gz VUBHFFAQUQTVAX-GPMSIDNRSA-N 2 1 367.490 0.583 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879102 1211306379 /nfs/dbraw/zinc/30/63/79/1211306379.db2.gz NNGPJLLXKDHUAL-ICSRJNTNSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879102 1211306382 /nfs/dbraw/zinc/30/63/82/1211306382.db2.gz NNGPJLLXKDHUAL-ICSRJNTNSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879102 1211306385 /nfs/dbraw/zinc/30/63/85/1211306385.db2.gz NNGPJLLXKDHUAL-ICSRJNTNSA-N 2 1 364.534 0.585 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001095424165 1211333725 /nfs/dbraw/zinc/33/37/25/1211333725.db2.gz HHVHOTHZSQIHBZ-NCOADZHNSA-N 2 1 361.490 0.075 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001095432064 1211335124 /nfs/dbraw/zinc/33/51/24/1211335124.db2.gz RORCESHPNWYOCJ-IWCQGFGOSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001095432064 1211335126 /nfs/dbraw/zinc/33/51/26/1211335126.db2.gz RORCESHPNWYOCJ-IWCQGFGOSA-N 2 1 374.489 0.011 20 0 FCADMP Nc1ncc(CN2CCC3(CCN(CCn4ccnc4)C3=O)CC2)cn1 ZINC001276090578 1211351196 /nfs/dbraw/zinc/35/11/96/1211351196.db2.gz XPSJCZOFOJEEGY-UHFFFAOYSA-N 2 1 355.446 0.770 20 0 FCADMP CNc1ncccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276199520 1211379674 /nfs/dbraw/zinc/37/96/74/1211379674.db2.gz QUPSQQBNRTUGAE-LJQANCHMSA-N 2 1 361.490 0.736 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925407529 1211499352 /nfs/dbraw/zinc/49/93/52/1211499352.db2.gz FEPQQOALKRKEOI-IRXDYDNUSA-N 2 1 361.490 0.279 20 0 FCADMP CN(C)c1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ncn1 ZINC000926103744 1211516049 /nfs/dbraw/zinc/51/60/49/1211516049.db2.gz NSGMJLUTFXRXGL-GASCZTMLSA-N 2 1 359.478 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000926322475 1211530337 /nfs/dbraw/zinc/53/03/37/1211530337.db2.gz WJQDLCUSQAJIPA-YVSFHVDLSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000926322475 1211530342 /nfs/dbraw/zinc/53/03/42/1211530342.db2.gz WJQDLCUSQAJIPA-YVSFHVDLSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926393359 1211545092 /nfs/dbraw/zinc/54/50/92/1211545092.db2.gz DGCZNIJHZDSQCT-RTBURBONSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926393358 1211545297 /nfs/dbraw/zinc/54/52/97/1211545297.db2.gz DGCZNIJHZDSQCT-RBUKOAKNSA-N 2 1 372.513 0.959 20 0 FCADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221356708 1225302077 /nfs/dbraw/zinc/30/20/77/1225302077.db2.gz CGMPDQKZTCEYNF-KURKYZTESA-N 2 1 366.550 0.923 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001110956345 1211615043 /nfs/dbraw/zinc/61/50/43/1211615043.db2.gz FAHDFLFMIHNXDK-FPCVCCKLSA-N 2 1 358.490 0.829 20 0 FCADMP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369786 1225302373 /nfs/dbraw/zinc/30/23/73/1225302373.db2.gz NNKNTRPWTXFBGQ-CVEARBPZSA-N 2 1 356.470 0.349 20 0 FCADMP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369786 1225302379 /nfs/dbraw/zinc/30/23/79/1225302379.db2.gz NNKNTRPWTXFBGQ-CVEARBPZSA-N 2 1 356.470 0.349 20 0 FCADMP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001110961166 1211616037 /nfs/dbraw/zinc/61/60/37/1211616037.db2.gz UOTSOLVRLUSSFD-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)CCO1 ZINC001110961166 1211616041 /nfs/dbraw/zinc/61/60/41/1211616041.db2.gz UOTSOLVRLUSSFD-HZMVEIRTSA-N 2 1 366.506 0.297 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961682 1211617518 /nfs/dbraw/zinc/61/75/18/1211617518.db2.gz DTYQCSMRIRQMLE-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961682 1211617520 /nfs/dbraw/zinc/61/75/20/1211617520.db2.gz DTYQCSMRIRQMLE-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C)N1CCCC1 ZINC000929178930 1211621255 /nfs/dbraw/zinc/62/12/55/1211621255.db2.gz BNYMWBNMIQITSJ-WBVHZDCISA-N 2 1 374.485 0.769 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882692 1211669518 /nfs/dbraw/zinc/66/95/18/1211669518.db2.gz WCBDQTJAFROOHQ-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000929882692 1211669520 /nfs/dbraw/zinc/66/95/20/1211669520.db2.gz WCBDQTJAFROOHQ-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000929882692 1211669523 /nfs/dbraw/zinc/66/95/23/1211669523.db2.gz WCBDQTJAFROOHQ-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000929882692 1211669528 /nfs/dbraw/zinc/66/95/28/1211669528.db2.gz WCBDQTJAFROOHQ-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979866 1211683283 /nfs/dbraw/zinc/68/32/83/1211683283.db2.gz GYAFXNVJLBGDBJ-YJNKXOJESA-N 2 1 367.494 0.282 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979866 1211683287 /nfs/dbraw/zinc/68/32/87/1211683287.db2.gz GYAFXNVJLBGDBJ-YJNKXOJESA-N 2 1 367.494 0.282 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000930958241 1211731471 /nfs/dbraw/zinc/73/14/71/1211731471.db2.gz LEFJQQVVMIFUOB-IRXDYDNUSA-N 2 1 359.474 0.897 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931872637 1211776249 /nfs/dbraw/zinc/77/62/49/1211776249.db2.gz BVQYSXJFFKHPJC-OAHLLOKOSA-N 2 1 368.428 0.675 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931872637 1211776252 /nfs/dbraw/zinc/77/62/52/1211776252.db2.gz BVQYSXJFFKHPJC-OAHLLOKOSA-N 2 1 368.428 0.675 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876260 1211777606 /nfs/dbraw/zinc/77/76/06/1211777606.db2.gz XRTMOXKVIJHAGF-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876260 1211777608 /nfs/dbraw/zinc/77/76/08/1211777608.db2.gz XRTMOXKVIJHAGF-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931876260 1211777610 /nfs/dbraw/zinc/77/76/10/1211777610.db2.gz XRTMOXKVIJHAGF-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931876260 1211777613 /nfs/dbraw/zinc/77/76/13/1211777613.db2.gz XRTMOXKVIJHAGF-ZWKOTPCHSA-N 2 1 373.501 0.715 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH+]c1 ZINC000932800021 1211822614 /nfs/dbraw/zinc/82/26/14/1211822614.db2.gz FYPBKVWJLSNECA-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]c1 ZINC000932800021 1211822616 /nfs/dbraw/zinc/82/26/16/1211822616.db2.gz FYPBKVWJLSNECA-HZPDHXFCSA-N 2 1 359.474 0.861 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933853454 1211849245 /nfs/dbraw/zinc/84/92/45/1211849245.db2.gz MPYOYSHEEMUEFT-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933853454 1211849247 /nfs/dbraw/zinc/84/92/47/1211849247.db2.gz MPYOYSHEEMUEFT-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933853454 1211849250 /nfs/dbraw/zinc/84/92/50/1211849250.db2.gz MPYOYSHEEMUEFT-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933853454 1211849253 /nfs/dbraw/zinc/84/92/53/1211849253.db2.gz MPYOYSHEEMUEFT-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146879 1211899711 /nfs/dbraw/zinc/89/97/11/1211899711.db2.gz DBKKFORNJHNRHE-TVFCKZIOSA-N 2 1 369.506 0.218 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146879 1211899714 /nfs/dbraw/zinc/89/97/14/1211899714.db2.gz DBKKFORNJHNRHE-TVFCKZIOSA-N 2 1 369.506 0.218 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001111151498 1211901261 /nfs/dbraw/zinc/90/12/61/1211901261.db2.gz CTNOPZVTVSGBQY-TWMKSMIVSA-N 2 1 374.489 0.209 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001111151498 1211901264 /nfs/dbraw/zinc/90/12/64/1211901264.db2.gz CTNOPZVTVSGBQY-TWMKSMIVSA-N 2 1 374.489 0.209 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229102 1211935304 /nfs/dbraw/zinc/93/53/04/1211935304.db2.gz WOBUJSCKRFRKKG-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229102 1211935306 /nfs/dbraw/zinc/93/53/06/1211935306.db2.gz WOBUJSCKRFRKKG-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229102 1211935307 /nfs/dbraw/zinc/93/53/07/1211935307.db2.gz WOBUJSCKRFRKKG-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111229102 1211935309 /nfs/dbraw/zinc/93/53/09/1211935309.db2.gz WOBUJSCKRFRKKG-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229102 1211935311 /nfs/dbraw/zinc/93/53/11/1211935311.db2.gz WOBUJSCKRFRKKG-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111234272 1211937071 /nfs/dbraw/zinc/93/70/71/1211937071.db2.gz FTUDOMDGGBAZMO-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111234272 1211937075 /nfs/dbraw/zinc/93/70/75/1211937075.db2.gz FTUDOMDGGBAZMO-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111234272 1211937081 /nfs/dbraw/zinc/93/70/81/1211937081.db2.gz FTUDOMDGGBAZMO-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111234272 1211937086 /nfs/dbraw/zinc/93/70/86/1211937086.db2.gz FTUDOMDGGBAZMO-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001095765541 1211980129 /nfs/dbraw/zinc/98/01/29/1211980129.db2.gz JCRBVHVMQJULOR-IWCQGFGOSA-N 2 1 353.426 0.900 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001095765541 1211980134 /nfs/dbraw/zinc/98/01/34/1211980134.db2.gz JCRBVHVMQJULOR-IWCQGFGOSA-N 2 1 353.426 0.900 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC000968738293 1212107007 /nfs/dbraw/zinc/10/70/07/1212107007.db2.gz RCJFLFLWEXTUNK-QLFBSQMISA-N 2 1 363.510 0.849 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC000968738293 1212107010 /nfs/dbraw/zinc/10/70/10/1212107010.db2.gz RCJFLFLWEXTUNK-QLFBSQMISA-N 2 1 363.510 0.849 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274373 1212193297 /nfs/dbraw/zinc/19/32/97/1212193297.db2.gz AFILXXHDFQEHEG-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274373 1212193299 /nfs/dbraw/zinc/19/32/99/1212193299.db2.gz AFILXXHDFQEHEG-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274373 1212193301 /nfs/dbraw/zinc/19/33/01/1212193301.db2.gz AFILXXHDFQEHEG-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274373 1212193304 /nfs/dbraw/zinc/19/33/04/1212193304.db2.gz AFILXXHDFQEHEG-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCn3cccn3)CC2)O1 ZINC000948542374 1212196517 /nfs/dbraw/zinc/19/65/17/1212196517.db2.gz QWXCJBFCTFBRRI-FGTMMUONSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCn3cccn3)CC2)O1 ZINC000948542374 1212196524 /nfs/dbraw/zinc/19/65/24/1212196524.db2.gz QWXCJBFCTFBRRI-FGTMMUONSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCn3cccn3)CC2)O1 ZINC000948542374 1212196529 /nfs/dbraw/zinc/19/65/29/1212196529.db2.gz QWXCJBFCTFBRRI-FGTMMUONSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCn3cccn3)CC2)O1 ZINC000948542374 1212196533 /nfs/dbraw/zinc/19/65/33/1212196533.db2.gz QWXCJBFCTFBRRI-FGTMMUONSA-N 2 1 363.506 0.915 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280893 1212232492 /nfs/dbraw/zinc/23/24/92/1212232492.db2.gz AFJJBXGNAQYKHO-VQHPVUNQSA-N 2 1 368.522 0.543 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280893 1212232495 /nfs/dbraw/zinc/23/24/95/1212232495.db2.gz AFJJBXGNAQYKHO-VQHPVUNQSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111281361 1212233086 /nfs/dbraw/zinc/23/30/86/1212233086.db2.gz ORJGALSIQXJAJU-NCOADZHNSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111281361 1212233091 /nfs/dbraw/zinc/23/30/91/1212233091.db2.gz ORJGALSIQXJAJU-NCOADZHNSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc4ccccc4n3C)C2)O1 ZINC000969071839 1212255465 /nfs/dbraw/zinc/25/54/65/1212255465.db2.gz JCVYJIGGKZIFAA-IIDMSEBBSA-N 2 1 371.485 0.983 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc4ccccc4n3C)C2)O1 ZINC000969071839 1212255471 /nfs/dbraw/zinc/25/54/71/1212255471.db2.gz JCVYJIGGKZIFAA-IIDMSEBBSA-N 2 1 371.485 0.983 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098990 1212290772 /nfs/dbraw/zinc/29/07/72/1212290772.db2.gz QCLIKBLLTALAEB-OAGGEKHMSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)Cc3cncn3C)CC2)CC[N@H+]1C ZINC000949177422 1212313053 /nfs/dbraw/zinc/31/30/53/1212313053.db2.gz KGTNVRWIOIFNKX-RHSMWYFYSA-N 2 1 361.490 0.658 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001221560722 1225367042 /nfs/dbraw/zinc/36/70/42/1225367042.db2.gz CXTOUFLTOHSMOD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001221560722 1225367050 /nfs/dbraw/zinc/36/70/50/1225367050.db2.gz CXTOUFLTOHSMOD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001221560722 1225367056 /nfs/dbraw/zinc/36/70/56/1225367056.db2.gz CXTOUFLTOHSMOD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1)C1CC1 ZINC001221560722 1225367064 /nfs/dbraw/zinc/36/70/64/1225367064.db2.gz CXTOUFLTOHSMOD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662496 1212480329 /nfs/dbraw/zinc/48/03/29/1212480329.db2.gz CPEGFIZZSCNTDR-RYQLBKOJSA-N 2 1 366.506 0.650 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001111312412 1212554019 /nfs/dbraw/zinc/55/40/19/1212554019.db2.gz FWMKOQSRCWYRCT-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001111312412 1212554025 /nfs/dbraw/zinc/55/40/25/1212554025.db2.gz FWMKOQSRCWYRCT-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001111312412 1212554031 /nfs/dbraw/zinc/55/40/31/1212554031.db2.gz FWMKOQSRCWYRCT-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001111312412 1212554035 /nfs/dbraw/zinc/55/40/35/1212554035.db2.gz FWMKOQSRCWYRCT-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007826784 1212586002 /nfs/dbraw/zinc/58/60/02/1212586002.db2.gz JSEBZBPMVOEMMI-JXFKEZNVSA-N 2 1 371.485 0.785 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007859053 1212593720 /nfs/dbraw/zinc/59/37/20/1212593720.db2.gz XSPJAGCHLDMTNI-JXFKEZNVSA-N 2 1 371.485 0.785 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008175998 1212649393 /nfs/dbraw/zinc/64/93/93/1212649393.db2.gz ZDLPOWIGIXFINL-FVQBIDKESA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008175998 1212649398 /nfs/dbraw/zinc/64/93/98/1212649398.db2.gz ZDLPOWIGIXFINL-FVQBIDKESA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)CC2(C)C)CC[N@H+]1C ZINC001008202769 1212658456 /nfs/dbraw/zinc/65/84/56/1212658456.db2.gz IAKNDLOQGSHRGX-ARFHVFGLSA-N 2 1 361.490 0.967 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616976 1225399867 /nfs/dbraw/zinc/39/98/67/1225399867.db2.gz YKCCDZCWUZXHID-BRWVUGGUSA-N 2 1 369.506 0.027 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001276307794 1212958873 /nfs/dbraw/zinc/95/88/73/1212958873.db2.gz LXAAXDXQCDMDEN-HKUYNNGSSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000953818311 1213019560 /nfs/dbraw/zinc/01/95/60/1213019560.db2.gz QFIPLVVBEROJHL-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000953818311 1213019563 /nfs/dbraw/zinc/01/95/63/1213019563.db2.gz QFIPLVVBEROJHL-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000953818311 1213019569 /nfs/dbraw/zinc/01/95/69/1213019569.db2.gz QFIPLVVBEROJHL-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000953818311 1213019572 /nfs/dbraw/zinc/01/95/72/1213019572.db2.gz QFIPLVVBEROJHL-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000953978356 1213030036 /nfs/dbraw/zinc/03/00/36/1213030036.db2.gz OWOFCMYELFDMDU-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000953978356 1213030040 /nfs/dbraw/zinc/03/00/40/1213030040.db2.gz OWOFCMYELFDMDU-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953978356 1213030044 /nfs/dbraw/zinc/03/00/44/1213030044.db2.gz OWOFCMYELFDMDU-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000953978356 1213030048 /nfs/dbraw/zinc/03/00/48/1213030048.db2.gz OWOFCMYELFDMDU-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000089925283 1213053933 /nfs/dbraw/zinc/05/39/33/1213053933.db2.gz ZFDFJMOEWKIKGF-SFHVURJKSA-N 2 1 363.506 0.766 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@H+]1C ZINC000954411400 1213070918 /nfs/dbraw/zinc/07/09/18/1213070918.db2.gz RDVLNTZKKKQFBY-CXAGYDPISA-N 2 1 355.442 0.957 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954502784 1213080313 /nfs/dbraw/zinc/08/03/13/1213080313.db2.gz LPNYEXDAVFHHNK-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954502784 1213080315 /nfs/dbraw/zinc/08/03/15/1213080315.db2.gz LPNYEXDAVFHHNK-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954502784 1213080319 /nfs/dbraw/zinc/08/03/19/1213080319.db2.gz LPNYEXDAVFHHNK-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954502784 1213080323 /nfs/dbraw/zinc/08/03/23/1213080323.db2.gz LPNYEXDAVFHHNK-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221659439 1225423092 /nfs/dbraw/zinc/42/30/92/1225423092.db2.gz OVJCHDWXTWTJMY-DJIMGWMZSA-N 2 1 357.458 0.329 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221659439 1225423094 /nfs/dbraw/zinc/42/30/94/1225423094.db2.gz OVJCHDWXTWTJMY-DJIMGWMZSA-N 2 1 357.458 0.329 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000954812337 1213111378 /nfs/dbraw/zinc/11/13/78/1213111378.db2.gz NYNZYNLWDRCDPO-OLMNPRSZSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCc1ccc3c(c1)CCO3)C2 ZINC001276337337 1213418552 /nfs/dbraw/zinc/41/85/52/1213418552.db2.gz BFQYDYLQVCYKCE-UHFFFAOYSA-N 2 1 359.470 0.639 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701516 1225448350 /nfs/dbraw/zinc/44/83/50/1225448350.db2.gz SGMVTUWIECPIBE-MOXMWUHRSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701516 1225448355 /nfs/dbraw/zinc/44/83/55/1225448355.db2.gz SGMVTUWIECPIBE-MOXMWUHRSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701516 1225448359 /nfs/dbraw/zinc/44/83/59/1225448359.db2.gz SGMVTUWIECPIBE-MOXMWUHRSA-N 2 1 363.502 0.809 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960048403 1213595219 /nfs/dbraw/zinc/59/52/19/1213595219.db2.gz WTBFHERJBRFSLY-FHLIZLRMSA-N 2 1 363.506 0.918 20 0 FCADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC000960718095 1213906431 /nfs/dbraw/zinc/90/64/31/1213906431.db2.gz NWAMQVOBUSCIIM-FHLIZLRMSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1ncc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC000960718095 1213906434 /nfs/dbraw/zinc/90/64/34/1213906434.db2.gz NWAMQVOBUSCIIM-FHLIZLRMSA-N 2 1 361.490 0.927 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014452508 1213955544 /nfs/dbraw/zinc/95/55/44/1213955544.db2.gz QGRCGNKWEQRKHJ-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014452508 1213955550 /nfs/dbraw/zinc/95/55/50/1213955550.db2.gz QGRCGNKWEQRKHJ-JZXOWHBKSA-N 2 1 366.506 0.012 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733928 1213994589 /nfs/dbraw/zinc/99/45/89/1213994589.db2.gz YRBNJDZEUPEMOH-QRVBRYPASA-N 2 1 370.497 0.755 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733928 1213994595 /nfs/dbraw/zinc/99/45/95/1213994595.db2.gz YRBNJDZEUPEMOH-QRVBRYPASA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733928 1213994601 /nfs/dbraw/zinc/99/46/01/1213994601.db2.gz YRBNJDZEUPEMOH-QRVBRYPASA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733928 1213994605 /nfs/dbraw/zinc/99/46/05/1213994605.db2.gz YRBNJDZEUPEMOH-QRVBRYPASA-N 2 1 370.497 0.755 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001016679584 1214034030 /nfs/dbraw/zinc/03/40/30/1214034030.db2.gz MLBAOFFKUBRBAX-LHUBUQBQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001016679584 1214034037 /nfs/dbraw/zinc/03/40/37/1214034037.db2.gz MLBAOFFKUBRBAX-LHUBUQBQSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276825632 1225505238 /nfs/dbraw/zinc/50/52/38/1225505238.db2.gz WIXQYOUETYDHCO-ICSRJNTNSA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825632 1225505241 /nfs/dbraw/zinc/50/52/41/1225505241.db2.gz WIXQYOUETYDHCO-ICSRJNTNSA-N 2 1 366.550 0.565 20 0 FCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276825632 1225505242 /nfs/dbraw/zinc/50/52/42/1225505242.db2.gz WIXQYOUETYDHCO-ICSRJNTNSA-N 2 1 366.550 0.565 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001019072398 1214191745 /nfs/dbraw/zinc/19/17/45/1214191745.db2.gz HCLNBUHLFRRWHA-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001019072398 1214191748 /nfs/dbraw/zinc/19/17/48/1214191748.db2.gz HCLNBUHLFRRWHA-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001019072398 1214191751 /nfs/dbraw/zinc/19/17/51/1214191751.db2.gz HCLNBUHLFRRWHA-YESZJQIVSA-N 2 1 362.518 0.729 20 0 FCADMP COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC001020286610 1214327567 /nfs/dbraw/zinc/32/75/67/1214327567.db2.gz GGPONGFVROQEKY-BRXULGCHSA-N 2 1 365.430 0.104 20 0 FCADMP COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC001020286610 1214327572 /nfs/dbraw/zinc/32/75/72/1214327572.db2.gz GGPONGFVROQEKY-BRXULGCHSA-N 2 1 365.430 0.104 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)c3ccccc3F)C2)O1 ZINC001020287146 1214328625 /nfs/dbraw/zinc/32/86/25/1214328625.db2.gz UTARKSPBZCUMLX-YWBVBXMBSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)c3ccccc3F)C2)O1 ZINC001020287146 1214328629 /nfs/dbraw/zinc/32/86/29/1214328629.db2.gz UTARKSPBZCUMLX-YWBVBXMBSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)O1 ZINC001020288099 1214328772 /nfs/dbraw/zinc/32/87/72/1214328772.db2.gz ZIFXYPKXYFFOHP-BQJWPVKWSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCC[C@H](C)C3)C2)O1 ZINC001020288099 1214328780 /nfs/dbraw/zinc/32/87/80/1214328780.db2.gz ZIFXYPKXYFFOHP-BQJWPVKWSA-N 2 1 366.506 0.201 20 0 FCADMP COc1cncc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961987734 1214392768 /nfs/dbraw/zinc/39/27/68/1214392768.db2.gz DDAHPEMJGGGNOC-UWLZSVRSSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000961987692 1214392821 /nfs/dbraw/zinc/39/28/21/1214392821.db2.gz CDFCFBIDDJCNKR-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000961987692 1214392828 /nfs/dbraw/zinc/39/28/28/1214392828.db2.gz CDFCFBIDDJCNKR-LHUBUQBQSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001039595264 1214401903 /nfs/dbraw/zinc/40/19/03/1214401903.db2.gz IXJNGMYWCNMHSC-LJIZCISZSA-N 2 1 362.474 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001040707773 1214570909 /nfs/dbraw/zinc/57/09/09/1214570909.db2.gz IFOGDTLWLGIOLD-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001040902350 1214617916 /nfs/dbraw/zinc/61/79/16/1214617916.db2.gz RJHMMLPEMWYUCR-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001040902350 1214617922 /nfs/dbraw/zinc/61/79/22/1214617922.db2.gz RJHMMLPEMWYUCR-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001040902350 1214617925 /nfs/dbraw/zinc/61/79/25/1214617925.db2.gz RJHMMLPEMWYUCR-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc(C)[nH+]1 ZINC001041182906 1214738112 /nfs/dbraw/zinc/73/81/12/1214738112.db2.gz NRQQQZYRBRDNRO-GVDBMIGSSA-N 2 1 359.474 0.355 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966970 1225556500 /nfs/dbraw/zinc/55/65/00/1225556500.db2.gz NHYMPNLAZLAZFB-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966970 1225556505 /nfs/dbraw/zinc/55/65/05/1225556505.db2.gz NHYMPNLAZLAZFB-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966970 1225556508 /nfs/dbraw/zinc/55/65/08/1225556508.db2.gz NHYMPNLAZLAZFB-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221966970 1225556512 /nfs/dbraw/zinc/55/65/12/1225556512.db2.gz NHYMPNLAZLAZFB-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000963757734 1214844542 /nfs/dbraw/zinc/84/45/42/1214844542.db2.gz OBPQTLYNRKEFRH-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC000963760032 1214845120 /nfs/dbraw/zinc/84/51/20/1214845120.db2.gz ZJSDEBWCMLSRBV-CWQOZTLDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC000963760032 1214845123 /nfs/dbraw/zinc/84/51/23/1214845123.db2.gz ZJSDEBWCMLSRBV-CWQOZTLDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC000963760032 1214845126 /nfs/dbraw/zinc/84/51/26/1214845126.db2.gz ZJSDEBWCMLSRBV-CWQOZTLDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000964506253 1214970512 /nfs/dbraw/zinc/97/05/12/1214970512.db2.gz JQISWUFVDQUSIG-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000965950564 1215149757 /nfs/dbraw/zinc/14/97/57/1215149757.db2.gz FHAXPMFVPNJWJR-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000965950564 1215149758 /nfs/dbraw/zinc/14/97/58/1215149758.db2.gz FHAXPMFVPNJWJR-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000965950564 1215149760 /nfs/dbraw/zinc/14/97/60/1215149760.db2.gz FHAXPMFVPNJWJR-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000965950564 1215149762 /nfs/dbraw/zinc/14/97/62/1215149762.db2.gz FHAXPMFVPNJWJR-WCXIOVBPSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000968096414 1215285708 /nfs/dbraw/zinc/28/57/08/1215285708.db2.gz KLATXFDZSTVERI-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968096414 1215285710 /nfs/dbraw/zinc/28/57/10/1215285710.db2.gz KLATXFDZSTVERI-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000968096414 1215285712 /nfs/dbraw/zinc/28/57/12/1215285712.db2.gz KLATXFDZSTVERI-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000968096414 1215285715 /nfs/dbraw/zinc/28/57/15/1215285715.db2.gz KLATXFDZSTVERI-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462969 1225626164 /nfs/dbraw/zinc/62/61/64/1225626164.db2.gz CFDJIYIZKVHZOQ-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462969 1225626167 /nfs/dbraw/zinc/62/61/67/1225626167.db2.gz CFDJIYIZKVHZOQ-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462969 1225626169 /nfs/dbraw/zinc/62/61/69/1225626169.db2.gz CFDJIYIZKVHZOQ-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)[C@H]2C1 ZINC001222462969 1225626173 /nfs/dbraw/zinc/62/61/73/1225626173.db2.gz CFDJIYIZKVHZOQ-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP c1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc(OCCN2CCOCC2)c1 ZINC001222501965 1225629621 /nfs/dbraw/zinc/62/96/21/1225629621.db2.gz APNNTEDAOUGBBJ-SFTDATJTSA-N 2 1 374.529 0.923 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055645927 1215896486 /nfs/dbraw/zinc/89/64/86/1215896486.db2.gz MGICRPGNIFVXNO-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001000458306 1216062801 /nfs/dbraw/zinc/06/28/01/1216062801.db2.gz HZHXWSADFQCMOT-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001000458306 1216062803 /nfs/dbraw/zinc/06/28/03/1216062803.db2.gz HZHXWSADFQCMOT-ORQFMDKSSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001001417862 1216192324 /nfs/dbraw/zinc/19/23/24/1216192324.db2.gz GUUHXEIQLUXFNP-KBAYOESNSA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncccn3)CC2)O1 ZINC001050335807 1216308626 /nfs/dbraw/zinc/30/86/26/1216308626.db2.gz CJSMTOAUKVEVMW-QBPKDAKJSA-N 2 1 361.490 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncccn3)CC2)O1 ZINC001050335807 1216308631 /nfs/dbraw/zinc/30/86/31/1216308631.db2.gz CJSMTOAUKVEVMW-QBPKDAKJSA-N 2 1 361.490 0.960 20 0 FCADMP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329257 1216308865 /nfs/dbraw/zinc/30/88/65/1216308865.db2.gz PVJVRDVURIKXPY-XFIYOXNOSA-N 2 1 363.510 0.876 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCn2cccn2)CC3)O1 ZINC001050563450 1216335803 /nfs/dbraw/zinc/33/58/03/1216335803.db2.gz KGHMUSJYNMTOCN-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCn2cccn2)CC3)O1 ZINC001050563450 1216335808 /nfs/dbraw/zinc/33/58/08/1216335808.db2.gz KGHMUSJYNMTOCN-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291544 1216426692 /nfs/dbraw/zinc/42/66/92/1216426692.db2.gz SJIGKKMAPDIDPN-CKEIUWERSA-N 2 1 358.486 0.875 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291544 1216426700 /nfs/dbraw/zinc/42/67/00/1216426700.db2.gz SJIGKKMAPDIDPN-CKEIUWERSA-N 2 1 358.486 0.875 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291544 1216426706 /nfs/dbraw/zinc/42/67/06/1216426706.db2.gz SJIGKKMAPDIDPN-CKEIUWERSA-N 2 1 358.486 0.875 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291544 1216426715 /nfs/dbraw/zinc/42/67/15/1216426715.db2.gz SJIGKKMAPDIDPN-CKEIUWERSA-N 2 1 358.486 0.875 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968704 1225670828 /nfs/dbraw/zinc/67/08/28/1225670828.db2.gz PYNRSXDQMGWKND-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968704 1225670833 /nfs/dbraw/zinc/67/08/33/1225670833.db2.gz PYNRSXDQMGWKND-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623893 1216468476 /nfs/dbraw/zinc/46/84/76/1216468476.db2.gz KGOXMRAVSKKCJJ-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)n(C)n3)C2)CC[N@H+]1C ZINC001051624746 1216470041 /nfs/dbraw/zinc/47/00/41/1216470041.db2.gz UFOMGOPYZFRWPE-OKZBNKHCSA-N 2 1 363.506 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3F)C2)O1 ZINC001051678492 1216474664 /nfs/dbraw/zinc/47/46/64/1216474664.db2.gz CIVXRMOSZDTCCL-QGPMSJSTSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3F)C2)O1 ZINC001051678492 1216474671 /nfs/dbraw/zinc/47/46/71/1216474671.db2.gz CIVXRMOSZDTCCL-QGPMSJSTSA-N 2 1 365.449 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057966478 1216610994 /nfs/dbraw/zinc/61/09/94/1216610994.db2.gz JFSZEXGZQPLKKE-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057966478 1216610999 /nfs/dbraw/zinc/61/09/99/1216610999.db2.gz JFSZEXGZQPLKKE-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057966478 1216611001 /nfs/dbraw/zinc/61/10/01/1216611001.db2.gz JFSZEXGZQPLKKE-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](CCN1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCN(CCO)C(C)(C)C1 ZINC000682035198 1216655659 /nfs/dbraw/zinc/65/56/59/1216655659.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@@H](CCN1CC[NH+](CCO)C(C)(C)C1)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682035198 1216655670 /nfs/dbraw/zinc/65/56/70/1216655670.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@@H](CCN1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682035198 1216655673 /nfs/dbraw/zinc/65/56/73/1216655673.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@@H](CC[N@@H+]1CCN(CCO)C(C)(C)C1)N1CC[NH+](CCO)C(C)(C)C1 ZINC000682035198 1216655682 /nfs/dbraw/zinc/65/56/82/1216655682.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@@H](CC[N@H+]1CCN(CCO)C(C)(C)C1)N1CC[NH+](CCO)C(C)(C)C1 ZINC000682035198 1216655689 /nfs/dbraw/zinc/65/56/89/1216655689.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@@H](CC[NH+]1CCN(CCO)C(C)(C)C1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035198 1216655696 /nfs/dbraw/zinc/65/56/96/1216655696.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP C[C@@H](CC[NH+]1CCN(CCO)C(C)(C)C1)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682035198 1216655702 /nfs/dbraw/zinc/65/57/02/1216655702.db2.gz STCJOEIOHJQCSW-SFHVURJKSA-N 2 1 370.582 0.542 20 0 FCADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223174878 1225688329 /nfs/dbraw/zinc/68/83/29/1225688329.db2.gz SQMDEBSUITYCJP-NEWSRXKRSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)CC[NH+](C)C)O3)CC[N@H+]1C ZINC001068624486 1216751212 /nfs/dbraw/zinc/75/12/12/1216751212.db2.gz PDMZQAGVEZGIMG-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001068885195 1216765591 /nfs/dbraw/zinc/76/55/91/1216765591.db2.gz PQYZPZJOTBBOSA-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927074 1216847741 /nfs/dbraw/zinc/84/77/41/1216847741.db2.gz HXTBPWRAEDDZQE-XHSDSOJGSA-N 2 1 364.494 0.265 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927074 1216847744 /nfs/dbraw/zinc/84/77/44/1216847744.db2.gz HXTBPWRAEDDZQE-XHSDSOJGSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928337 1216848476 /nfs/dbraw/zinc/84/84/76/1216848476.db2.gz ABEUDSRBQOOZFB-KSZLIROESA-N 2 1 358.490 0.928 20 0 FCADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928338 1216848952 /nfs/dbraw/zinc/84/89/52/1216848952.db2.gz ABEUDSRBQOOZFB-KURKYZTESA-N 2 1 358.490 0.928 20 0 FCADMP CC(C)N1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354240 1225699745 /nfs/dbraw/zinc/69/97/45/1225699745.db2.gz LQJHDLCSWCKFIR-SQNIBIBYSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001223354240 1225699747 /nfs/dbraw/zinc/69/97/47/1225699747.db2.gz LQJHDLCSWCKFIR-SQNIBIBYSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001223354240 1225699751 /nfs/dbraw/zinc/69/97/51/1225699751.db2.gz LQJHDLCSWCKFIR-SQNIBIBYSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354240 1225699756 /nfs/dbraw/zinc/69/97/56/1225699756.db2.gz LQJHDLCSWCKFIR-SQNIBIBYSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354240 1225699761 /nfs/dbraw/zinc/69/97/61/1225699761.db2.gz LQJHDLCSWCKFIR-SQNIBIBYSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006079 1216892867 /nfs/dbraw/zinc/89/28/67/1216892867.db2.gz CICHGXSZVSDSSX-IKGGRYGDSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006079 1216892870 /nfs/dbraw/zinc/89/28/70/1216892870.db2.gz CICHGXSZVSDSSX-IKGGRYGDSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006079 1216892871 /nfs/dbraw/zinc/89/28/71/1216892871.db2.gz CICHGXSZVSDSSX-IKGGRYGDSA-N 2 1 362.478 0.139 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070006079 1216892872 /nfs/dbraw/zinc/89/28/72/1216892872.db2.gz CICHGXSZVSDSSX-IKGGRYGDSA-N 2 1 362.478 0.139 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223513126 1225712203 /nfs/dbraw/zinc/71/22/03/1225712203.db2.gz XARTUOGURGERGD-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223513126 1225712207 /nfs/dbraw/zinc/71/22/07/1225712207.db2.gz XARTUOGURGERGD-IKGGRYGDSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001041294522 1217270469 /nfs/dbraw/zinc/27/04/69/1217270469.db2.gz RKOHLELOFQYVJK-HBFSDRIKSA-N 2 1 365.518 0.650 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCN4CCNC4=O)C3)C2)CC[N@H+]1C ZINC001041297509 1217270916 /nfs/dbraw/zinc/27/09/16/1217270916.db2.gz QFJKNTOCODBMHB-GPMSIDNRSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCN4CCNC4=O)C3)C2)CC[NH+]1C ZINC001041297509 1217270922 /nfs/dbraw/zinc/27/09/22/1217270922.db2.gz QFJKNTOCODBMHB-GPMSIDNRSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCN4CCNC4=O)C3)C2)CC[NH+]1C ZINC001041297509 1217270927 /nfs/dbraw/zinc/27/09/27/1217270927.db2.gz QFJKNTOCODBMHB-GPMSIDNRSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@H+]1C ZINC001041300217 1217272970 /nfs/dbraw/zinc/27/29/70/1217272970.db2.gz GCIFQZOCHTZNQA-SQGPQFPESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001041300217 1217272978 /nfs/dbraw/zinc/27/29/78/1217272978.db2.gz GCIFQZOCHTZNQA-SQGPQFPESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001041300217 1217272983 /nfs/dbraw/zinc/27/29/83/1217272983.db2.gz GCIFQZOCHTZNQA-SQGPQFPESA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223726510 1225730344 /nfs/dbraw/zinc/73/03/44/1225730344.db2.gz HSDBWWVJEBVZEL-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223846639 1225740047 /nfs/dbraw/zinc/74/00/47/1225740047.db2.gz PYNDUNUPSBBEOD-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223846639 1225740051 /nfs/dbraw/zinc/74/00/51/1225740051.db2.gz PYNDUNUPSBBEOD-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223846639 1225740056 /nfs/dbraw/zinc/74/00/56/1225740056.db2.gz PYNDUNUPSBBEOD-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916239 1225746498 /nfs/dbraw/zinc/74/64/98/1225746498.db2.gz BVNGWSWLYHKXQY-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916239 1225746500 /nfs/dbraw/zinc/74/65/00/1225746500.db2.gz BVNGWSWLYHKXQY-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916417 1225746853 /nfs/dbraw/zinc/74/68/53/1225746853.db2.gz HFMJXBMFRDTUNF-AEFFLSMTSA-N 2 1 363.506 0.730 20 0 FCADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276932670 1225748097 /nfs/dbraw/zinc/74/80/97/1225748097.db2.gz FJUJMEIGUFXDDA-IBGZPJMESA-N 2 1 359.474 0.996 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223985262 1225751004 /nfs/dbraw/zinc/75/10/04/1225751004.db2.gz WLYSXMDRUAWESR-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223985262 1225751008 /nfs/dbraw/zinc/75/10/08/1225751008.db2.gz WLYSXMDRUAWESR-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)COCCOC)[C@H]2C1 ZINC001223985262 1225751009 /nfs/dbraw/zinc/75/10/09/1225751009.db2.gz WLYSXMDRUAWESR-KURKYZTESA-N 2 1 371.522 0.275 20 0 FCADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001043262024 1217617643 /nfs/dbraw/zinc/61/76/43/1217617643.db2.gz AGYNHFCMAHTFBW-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128984 1225758318 /nfs/dbraw/zinc/75/83/18/1225758318.db2.gz BSXJFYONKXHZBN-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)[NH+](C)CC)C2)CC[N@H+]1C ZINC001043613683 1217684364 /nfs/dbraw/zinc/68/43/64/1217684364.db2.gz VOXKRNKMJGHEMG-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C2)CC[NH+]1C ZINC001043613683 1217684368 /nfs/dbraw/zinc/68/43/68/1217684368.db2.gz VOXKRNKMJGHEMG-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)[N@@H+](C)CC)C2)CC[NH+]1C ZINC001043613683 1217684373 /nfs/dbraw/zinc/68/43/73/1217684373.db2.gz VOXKRNKMJGHEMG-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCOC)[C@H]3C2)C1 ZINC001224190259 1225763134 /nfs/dbraw/zinc/76/31/34/1225763134.db2.gz KOZPNRWLIPJCJB-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCOC)[C@H]3C2)C1 ZINC001224190259 1225763138 /nfs/dbraw/zinc/76/31/38/1225763138.db2.gz KOZPNRWLIPJCJB-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCOC)[C@H]3C2)C1 ZINC001224190259 1225763141 /nfs/dbraw/zinc/76/31/41/1225763141.db2.gz KOZPNRWLIPJCJB-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCOC)[C@H]3C2)C1 ZINC001224190259 1225763145 /nfs/dbraw/zinc/76/31/45/1225763145.db2.gz KOZPNRWLIPJCJB-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043790104 1217743698 /nfs/dbraw/zinc/74/36/98/1217743698.db2.gz AEINAMUTZSCDRB-XOKHGSTOSA-N 2 1 359.474 0.851 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043790104 1217743700 /nfs/dbraw/zinc/74/37/00/1217743700.db2.gz AEINAMUTZSCDRB-XOKHGSTOSA-N 2 1 359.474 0.851 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246036 1225768346 /nfs/dbraw/zinc/76/83/46/1225768346.db2.gz RQVWYGSURCEJLY-CABCVRRESA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224246036 1225768348 /nfs/dbraw/zinc/76/83/48/1225768348.db2.gz RQVWYGSURCEJLY-CABCVRRESA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224246036 1225768349 /nfs/dbraw/zinc/76/83/49/1225768349.db2.gz RQVWYGSURCEJLY-CABCVRRESA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224246036 1225768352 /nfs/dbraw/zinc/76/83/52/1225768352.db2.gz RQVWYGSURCEJLY-CABCVRRESA-N 2 1 367.494 0.095 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001095964741 1217789353 /nfs/dbraw/zinc/78/93/53/1217789353.db2.gz ABBWKILFCOVZKW-OWSLCNJRSA-N 2 1 361.490 0.307 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001096021961 1217923799 /nfs/dbraw/zinc/92/37/99/1217923799.db2.gz AZSDPWMUTNKONN-PMPSAXMXSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001096021961 1217923803 /nfs/dbraw/zinc/92/38/03/1217923803.db2.gz AZSDPWMUTNKONN-PMPSAXMXSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)C1 ZINC001096021961 1217923808 /nfs/dbraw/zinc/92/38/08/1217923808.db2.gz AZSDPWMUTNKONN-PMPSAXMXSA-N 2 1 363.506 0.465 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)C1 ZINC001096021961 1217923810 /nfs/dbraw/zinc/92/38/10/1217923810.db2.gz AZSDPWMUTNKONN-PMPSAXMXSA-N 2 1 363.506 0.465 20 0 FCADMP COc1cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000900480579 1217995263 /nfs/dbraw/zinc/99/52/63/1217995263.db2.gz IIMZGYWCENJENS-DNVCBOLYSA-N 2 1 365.474 0.707 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000900867283 1218046645 /nfs/dbraw/zinc/04/66/45/1218046645.db2.gz SCYZOJALQZOIKB-IAGOWNOFSA-N 2 1 367.490 0.585 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)n1 ZINC001096348138 1218255415 /nfs/dbraw/zinc/25/54/15/1218255415.db2.gz CSZKKHJQLJRODH-BDXSIMOUSA-N 2 1 360.506 0.958 20 0 FCADMP CN(C)c1ccncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CC1 ZINC001096363676 1218267545 /nfs/dbraw/zinc/26/75/45/1218267545.db2.gz BHLVUYDHJVFKDW-KMFMINBZSA-N 2 1 357.458 0.761 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001225526156 1225815115 /nfs/dbraw/zinc/81/51/15/1225815115.db2.gz YGGLPKLVJCLEKP-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001225526156 1225815116 /nfs/dbraw/zinc/81/51/16/1225815116.db2.gz YGGLPKLVJCLEKP-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543523 1218475564 /nfs/dbraw/zinc/47/55/64/1218475564.db2.gz VQHMSYBTFFWCPJ-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543523 1218475566 /nfs/dbraw/zinc/47/55/66/1218475566.db2.gz VQHMSYBTFFWCPJ-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096543523 1218475574 /nfs/dbraw/zinc/47/55/74/1218475574.db2.gz VQHMSYBTFFWCPJ-BDXSIMOUSA-N 2 1 356.470 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550076 1218487654 /nfs/dbraw/zinc/48/76/54/1218487654.db2.gz VXABAUJJACRLQA-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550076 1218487663 /nfs/dbraw/zinc/48/76/63/1218487663.db2.gz VXABAUJJACRLQA-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCn2cccn2)O1 ZINC001049550076 1218487670 /nfs/dbraw/zinc/48/76/70/1218487670.db2.gz VXABAUJJACRLQA-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCn2cccn2)O1 ZINC001049550076 1218487676 /nfs/dbraw/zinc/48/76/76/1218487676.db2.gz VXABAUJJACRLQA-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550071 1218487704 /nfs/dbraw/zinc/48/77/04/1218487704.db2.gz VXABAUJJACRLQA-BRSBDYLESA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550071 1218487709 /nfs/dbraw/zinc/48/77/09/1218487709.db2.gz VXABAUJJACRLQA-BRSBDYLESA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCn2cccn2)O1 ZINC001049550071 1218487712 /nfs/dbraw/zinc/48/77/12/1218487712.db2.gz VXABAUJJACRLQA-BRSBDYLESA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCn2cccn2)O1 ZINC001049550071 1218487717 /nfs/dbraw/zinc/48/77/17/1218487717.db2.gz VXABAUJJACRLQA-BRSBDYLESA-N 2 1 361.490 0.668 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769870 1218521800 /nfs/dbraw/zinc/52/18/00/1218521800.db2.gz QJNKAXXCCFGWFD-UWVAXJGDSA-N 3 1 374.533 0.767 20 0 FCADMP C[NH+]1CCN(c2ncc(CN[C@@H]3C[NH2+]CC4(CCOCC4)C3)cn2)CC1 ZINC000903972362 1218575622 /nfs/dbraw/zinc/57/56/22/1218575622.db2.gz HFMAEFARIAHESY-KRWDZBQOSA-N 2 1 360.506 0.477 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097063148 1218674604 /nfs/dbraw/zinc/67/46/04/1218674604.db2.gz IBPBAYAXVDJVCU-NCOADZHNSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001097063148 1218674605 /nfs/dbraw/zinc/67/46/05/1218674605.db2.gz IBPBAYAXVDJVCU-NCOADZHNSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001097063148 1218674610 /nfs/dbraw/zinc/67/46/10/1218674610.db2.gz IBPBAYAXVDJVCU-NCOADZHNSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097063148 1218674616 /nfs/dbraw/zinc/67/46/16/1218674616.db2.gz IBPBAYAXVDJVCU-NCOADZHNSA-N 2 1 363.506 0.606 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226323217 1225840532 /nfs/dbraw/zinc/84/05/32/1225840532.db2.gz JBVMGEPSOLPUJS-QBPKDAKJSA-N 2 1 368.522 0.496 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3N)C2)OCC1=O ZINC001277130108 1225844216 /nfs/dbraw/zinc/84/42/16/1225844216.db2.gz PKXMRWLUJBKESD-SFHVURJKSA-N 2 1 368.428 0.912 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3N)C2)OCC1=O ZINC001277130108 1225844218 /nfs/dbraw/zinc/84/42/18/1225844218.db2.gz PKXMRWLUJBKESD-SFHVURJKSA-N 2 1 368.428 0.912 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001097639501 1218832189 /nfs/dbraw/zinc/83/21/89/1218832189.db2.gz WSNGQWXBZOVTHK-OAGGEKHMSA-N 2 1 363.506 0.608 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001097639501 1218832190 /nfs/dbraw/zinc/83/21/90/1218832190.db2.gz WSNGQWXBZOVTHK-OAGGEKHMSA-N 2 1 363.506 0.608 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732088 1218861395 /nfs/dbraw/zinc/86/13/95/1218861395.db2.gz XUYVNVUXVMPTLI-KSZLIROESA-N 2 1 358.486 0.788 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732088 1218861398 /nfs/dbraw/zinc/86/13/98/1218861398.db2.gz XUYVNVUXVMPTLI-KSZLIROESA-N 2 1 358.486 0.788 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001052732088 1218861400 /nfs/dbraw/zinc/86/14/00/1218861400.db2.gz XUYVNVUXVMPTLI-KSZLIROESA-N 2 1 358.486 0.788 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccco3)CC2)CC[N@@H+]1C ZINC001055501971 1219061271 /nfs/dbraw/zinc/06/12/71/1219061271.db2.gz PVYICIARWCMHMB-GDBMZVCRSA-N 2 1 362.474 0.930 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccco3)CC2)CC[N@H+]1C ZINC001055501971 1219061279 /nfs/dbraw/zinc/06/12/79/1219061279.db2.gz PVYICIARWCMHMB-GDBMZVCRSA-N 2 1 362.474 0.930 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccn[nH]3)CC2)CC[N@H+]1C ZINC001055529088 1219068927 /nfs/dbraw/zinc/06/89/27/1219068927.db2.gz MGBCLYCFORHMLF-UKRRQHHQSA-N 2 1 362.478 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cn[nH]c3)CC2)CC[N@H+]1C ZINC001055530348 1219069029 /nfs/dbraw/zinc/06/90/29/1219069029.db2.gz GITXDNOPFMWDPG-CZUORRHYSA-N 2 1 362.478 0.060 20 0 FCADMP CCOCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055543579 1219074240 /nfs/dbraw/zinc/07/42/40/1219074240.db2.gz CWFHUWIMDRPWFF-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)/C=C\C3CC3)CC2)CC[N@H+]1C ZINC001055551417 1219077388 /nfs/dbraw/zinc/07/73/88/1219077388.db2.gz RYTUPSCCFSJYTB-CPHMMYSSSA-N 2 1 362.518 0.990 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001055599439 1219095893 /nfs/dbraw/zinc/09/58/93/1219095893.db2.gz AMHRCSXJQIDFBY-NVXWUHKLSA-N 2 1 361.490 0.934 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804051647 1219104627 /nfs/dbraw/zinc/10/46/27/1219104627.db2.gz APOIPSXKILVEOZ-JKSUJKDBSA-N 2 1 364.490 0.053 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804055941 1219109681 /nfs/dbraw/zinc/10/96/81/1219109681.db2.gz PTHGOYWYVLQNDW-DLBZAZTESA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000804062740 1219117959 /nfs/dbraw/zinc/11/79/59/1219117959.db2.gz KNKZNQQQCNCRAN-JYJNAYRXSA-N 2 1 368.522 0.448 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804062552 1219118193 /nfs/dbraw/zinc/11/81/93/1219118193.db2.gz ICARZSLAICBOHE-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064454 1219128764 /nfs/dbraw/zinc/12/87/64/1219128764.db2.gz SEDGAVIJYUSYSV-SJORKVTESA-N 2 1 366.429 0.924 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064454 1219128768 /nfs/dbraw/zinc/12/87/68/1219128768.db2.gz SEDGAVIJYUSYSV-SJORKVTESA-N 2 1 366.429 0.924 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1)OC ZINC001070078176 1219146467 /nfs/dbraw/zinc/14/64/67/1219146467.db2.gz YKKOBYJLRLDFBI-OAGGEKHMSA-N 2 1 362.478 0.140 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCOCCNC(C)=O)CC2)CC[N@H+]1C ZINC001227454757 1225875457 /nfs/dbraw/zinc/87/54/57/1225875457.db2.gz UDURCECSMINYDX-ZWKOTPCHSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158660 1219246296 /nfs/dbraw/zinc/24/62/96/1219246296.db2.gz UMKKCKWIUMXWHW-SQNIBIBYSA-N 2 1 354.458 0.914 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217689 1219299503 /nfs/dbraw/zinc/29/95/03/1219299503.db2.gz OBJOBNZBZRYDQE-OAGGEKHMSA-N 2 1 361.450 0.456 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217679 1219299595 /nfs/dbraw/zinc/29/95/95/1219299595.db2.gz NTJDQPLKTVNHAJ-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217679 1219299598 /nfs/dbraw/zinc/29/95/98/1219299598.db2.gz NTJDQPLKTVNHAJ-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1n1ccnn1 ZINC001070275603 1219342745 /nfs/dbraw/zinc/34/27/45/1219342745.db2.gz VILZEZNUGOWXLD-CVEARBPZSA-N 2 1 359.434 0.537 20 0 FCADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)c1 ZINC001070326729 1219376633 /nfs/dbraw/zinc/37/66/33/1219376633.db2.gz ADZVYDJNJDSLSI-KURKYZTESA-N 2 1 369.473 0.475 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327203 1219377176 /nfs/dbraw/zinc/37/71/76/1219377176.db2.gz XPWYGTJOVSEUKB-ZNMIVQPWSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327203 1219377182 /nfs/dbraw/zinc/37/71/82/1219377182.db2.gz XPWYGTJOVSEUKB-ZNMIVQPWSA-N 2 1 359.434 0.068 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070475250 1219426074 /nfs/dbraw/zinc/42/60/74/1219426074.db2.gz KLIUMMMENLLVTI-JQHSSLGASA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070475250 1219426077 /nfs/dbraw/zinc/42/60/77/1219426077.db2.gz KLIUMMMENLLVTI-JQHSSLGASA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2[NH2+]CCO)c1 ZINC001070500742 1219441844 /nfs/dbraw/zinc/44/18/44/1219441844.db2.gz FMJXSSHCKVPNAX-IMJJTQAJSA-N 2 1 358.446 0.071 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534639 1219457353 /nfs/dbraw/zinc/45/73/53/1219457353.db2.gz FVKYYGDDLAKMKU-HLLBOEOZSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001070629187 1219493624 /nfs/dbraw/zinc/49/36/24/1219493624.db2.gz CYZLYQOLDILQFS-ZACQAIPSSA-N 2 1 371.489 0.295 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001228167850 1225898005 /nfs/dbraw/zinc/89/80/05/1225898005.db2.gz SHLULKSROBEWGU-ZACQAIPSSA-N 2 1 366.506 0.391 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001228167850 1225898006 /nfs/dbraw/zinc/89/80/06/1225898006.db2.gz SHLULKSROBEWGU-ZACQAIPSSA-N 2 1 366.506 0.391 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001070805672 1219547377 /nfs/dbraw/zinc/54/73/77/1219547377.db2.gz IZUYDJGBPGVLOF-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001070805672 1219547379 /nfs/dbraw/zinc/54/73/79/1219547379.db2.gz IZUYDJGBPGVLOF-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[NH+](CC4CC4)CC3=O)C2)CC[N@@H+]1C ZINC001071265707 1219611593 /nfs/dbraw/zinc/61/15/93/1219611593.db2.gz QIGQYYUKJUWFIC-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[NH+](CC4CC4)CC3=O)C2)CC[N@H+]1C ZINC001071265707 1219611594 /nfs/dbraw/zinc/61/15/94/1219611594.db2.gz QIGQYYUKJUWFIC-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[N@H+](CC4CC4)CC3=O)C2)CC[NH+]1C ZINC001071265707 1219611596 /nfs/dbraw/zinc/61/15/96/1219611596.db2.gz QIGQYYUKJUWFIC-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[N@@H+](CC4CC4)CC3=O)C2)CC[NH+]1C ZINC001071265707 1219611598 /nfs/dbraw/zinc/61/15/98/1219611598.db2.gz QIGQYYUKJUWFIC-BPQIPLTHSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCNC(=O)CC2)C3)CC[N@H+]1C ZINC001072752365 1219621534 /nfs/dbraw/zinc/62/15/34/1219621534.db2.gz HHVNJPDWGULSLR-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCNC(=O)CC2)C3)CC[NH+]1C ZINC001072752365 1219621537 /nfs/dbraw/zinc/62/15/37/1219621537.db2.gz HHVNJPDWGULSLR-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C3)CC[NH+]1C ZINC001072752365 1219621538 /nfs/dbraw/zinc/62/15/38/1219621538.db2.gz HHVNJPDWGULSLR-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239597 1225904385 /nfs/dbraw/zinc/90/43/85/1225904385.db2.gz VAEGQIORDIQQDF-HUUCEWRRSA-N 2 1 363.510 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001073061906 1219634583 /nfs/dbraw/zinc/63/45/83/1219634583.db2.gz FKWKWHMVQLYEDT-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H](C)O2 ZINC001098603653 1219805465 /nfs/dbraw/zinc/80/54/65/1219805465.db2.gz UEZLBGWNVNJCGY-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H](C)O2 ZINC001098603653 1219805466 /nfs/dbraw/zinc/80/54/66/1219805466.db2.gz UEZLBGWNVNJCGY-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP COCCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098674066 1219809672 /nfs/dbraw/zinc/80/96/72/1219809672.db2.gz YNNXATKMASCGEH-HYVNUMGLSA-N 2 1 364.494 0.518 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001098841217 1219838075 /nfs/dbraw/zinc/83/80/75/1219838075.db2.gz DJYIDHJOLRTLSO-ZWOKBUDYSA-N 2 1 360.502 0.531 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099029538 1219892337 /nfs/dbraw/zinc/89/23/37/1219892337.db2.gz DLKJHSZLOJKQAU-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)C1 ZINC001099029538 1219892341 /nfs/dbraw/zinc/89/23/41/1219892341.db2.gz DLKJHSZLOJKQAU-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)C1 ZINC001099029538 1219892343 /nfs/dbraw/zinc/89/23/43/1219892343.db2.gz DLKJHSZLOJKQAU-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001099062996 1219898782 /nfs/dbraw/zinc/89/87/82/1219898782.db2.gz OEBZTIGNDWYRMV-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001099463820 1220005629 /nfs/dbraw/zinc/00/56/29/1220005629.db2.gz FBIXWIOGWZTTOW-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001228602118 1225935975 /nfs/dbraw/zinc/93/59/75/1225935975.db2.gz DILXWJZIKOQVSI-HUUCEWRRSA-N 2 1 363.462 0.647 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCOC2)C1 ZINC001099514635 1220019457 /nfs/dbraw/zinc/01/94/57/1220019457.db2.gz DZQOTDYFSKVZKG-HBFSDRIKSA-N 2 1 365.518 0.964 20 0 FCADMP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)n1 ZINC001099526359 1220023257 /nfs/dbraw/zinc/02/32/57/1220023257.db2.gz LHHDPUSPDFZXJH-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101257209 1220249677 /nfs/dbraw/zinc/24/96/77/1220249677.db2.gz KSWJYDWEMGOSJR-MDZRGWNJSA-N 2 1 368.497 0.679 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285030 1220266569 /nfs/dbraw/zinc/26/65/69/1220266569.db2.gz LRAFVNPYFSDDSX-LPMFXHHGSA-N 2 1 364.490 0.302 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285030 1220266573 /nfs/dbraw/zinc/26/65/73/1220266573.db2.gz LRAFVNPYFSDDSX-LPMFXHHGSA-N 2 1 364.490 0.302 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285030 1220266578 /nfs/dbraw/zinc/26/65/78/1220266578.db2.gz LRAFVNPYFSDDSX-LPMFXHHGSA-N 2 1 364.490 0.302 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101349824 1220297207 /nfs/dbraw/zinc/29/72/07/1220297207.db2.gz GMZOVPPVIWYNNF-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)CC1 ZINC001101351166 1220297642 /nfs/dbraw/zinc/29/76/42/1220297642.db2.gz VVPZJPDPRKDNNF-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101354061 1220298546 /nfs/dbraw/zinc/29/85/46/1220298546.db2.gz OBSRDCULPDSOFB-POAQFYNOSA-N 2 1 364.534 0.879 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363982 1220302688 /nfs/dbraw/zinc/30/26/88/1220302688.db2.gz JBWXHFZALAACGF-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365807 1220304398 /nfs/dbraw/zinc/30/43/98/1220304398.db2.gz KUGRODJEICOCNL-AOIWGVFYSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101397654 1220323203 /nfs/dbraw/zinc/32/32/03/1220323203.db2.gz BCHLSNSWSNTFFT-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431379 1220341768 /nfs/dbraw/zinc/34/17/68/1220341768.db2.gz MCIFUJWKSFJCBE-MDZRGWNJSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001101464385 1220361758 /nfs/dbraw/zinc/36/17/58/1220361758.db2.gz GHVFCWOEOMDFJM-HLIPFELVSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101474961 1220366418 /nfs/dbraw/zinc/36/64/18/1220366418.db2.gz DHQXRAGGIJKLTA-GGPKGHCWSA-N 2 1 367.534 0.896 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487350 1220371346 /nfs/dbraw/zinc/37/13/46/1220371346.db2.gz ZYOXULAFAHHEOS-LQWHRVPQSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487350 1220371350 /nfs/dbraw/zinc/37/13/50/1220371350.db2.gz ZYOXULAFAHHEOS-LQWHRVPQSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487350 1220371354 /nfs/dbraw/zinc/37/13/54/1220371354.db2.gz ZYOXULAFAHHEOS-LQWHRVPQSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487350 1220371358 /nfs/dbraw/zinc/37/13/58/1220371358.db2.gz ZYOXULAFAHHEOS-LQWHRVPQSA-N 2 1 370.497 0.787 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975871 1220449871 /nfs/dbraw/zinc/44/98/71/1220449871.db2.gz FCXPVNJXKAHOBS-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045891 1220476139 /nfs/dbraw/zinc/47/61/39/1220476139.db2.gz BBACEJVZWQDBEK-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047750 1220476787 /nfs/dbraw/zinc/47/67/87/1220476787.db2.gz RUZGKKUNPBDLDU-XNRPHZJLSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047750 1220476788 /nfs/dbraw/zinc/47/67/88/1220476788.db2.gz RUZGKKUNPBDLDU-XNRPHZJLSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047761 1220476942 /nfs/dbraw/zinc/47/69/42/1220476942.db2.gz RZTNETMJZYQOGW-LSBZLQRGSA-N 2 1 360.502 0.910 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051611 1220479244 /nfs/dbraw/zinc/47/92/44/1220479244.db2.gz ALKGUVPWQHHQGZ-BFYDXBDKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051611 1220479246 /nfs/dbraw/zinc/47/92/46/1220479246.db2.gz ALKGUVPWQHHQGZ-BFYDXBDKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051611 1220479249 /nfs/dbraw/zinc/47/92/49/1220479249.db2.gz ALKGUVPWQHHQGZ-BFYDXBDKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102060590 1220482081 /nfs/dbraw/zinc/48/20/81/1220482081.db2.gz HOXNWTDJSBDQJA-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102060590 1220482082 /nfs/dbraw/zinc/48/20/82/1220482082.db2.gz HOXNWTDJSBDQJA-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102060590 1220482083 /nfs/dbraw/zinc/48/20/83/1220482083.db2.gz HOXNWTDJSBDQJA-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157252 1220528363 /nfs/dbraw/zinc/52/83/63/1220528363.db2.gz DRZLXUVYGMKSDB-QLFBSQMISA-N 2 1 361.490 0.581 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157252 1220528369 /nfs/dbraw/zinc/52/83/69/1220528369.db2.gz DRZLXUVYGMKSDB-QLFBSQMISA-N 2 1 361.490 0.581 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)nn1C ZINC001277350917 1225973868 /nfs/dbraw/zinc/97/38/68/1225973868.db2.gz BUQJCMXFUKTZDK-SFHVURJKSA-N 2 1 363.462 0.193 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)nn1C ZINC001277350917 1225973871 /nfs/dbraw/zinc/97/38/71/1225973871.db2.gz BUQJCMXFUKTZDK-SFHVURJKSA-N 2 1 363.462 0.193 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290587 1220576064 /nfs/dbraw/zinc/57/60/64/1220576064.db2.gz KXLMXJSYOYDXPP-ZIAGYGMSSA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290587 1220576068 /nfs/dbraw/zinc/57/60/68/1220576068.db2.gz KXLMXJSYOYDXPP-ZIAGYGMSSA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)C1CC1 ZINC001102312854 1220581900 /nfs/dbraw/zinc/58/19/00/1220581900.db2.gz REBSVBPJMZZWRE-IIDMSEBBSA-N 2 1 364.534 0.927 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337670 1220586523 /nfs/dbraw/zinc/58/65/23/1220586523.db2.gz NTGXBJQYIBEWFA-JFIYKMOQSA-N 2 1 370.538 0.409 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430321 1220622148 /nfs/dbraw/zinc/62/21/48/1220622148.db2.gz MOHNYBRPUTZUEL-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468352 1220638047 /nfs/dbraw/zinc/63/80/47/1220638047.db2.gz DLEQAAKRCBLNOX-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468352 1220638051 /nfs/dbraw/zinc/63/80/51/1220638051.db2.gz DLEQAAKRCBLNOX-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468526 1220638752 /nfs/dbraw/zinc/63/87/52/1220638752.db2.gz MXJKDQQAJSZABO-IXDOHACOSA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468526 1220638755 /nfs/dbraw/zinc/63/87/55/1220638755.db2.gz MXJKDQQAJSZABO-IXDOHACOSA-N 2 1 361.490 0.944 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229135888 1225981683 /nfs/dbraw/zinc/98/16/83/1225981683.db2.gz SDSXCENYWMPAPH-GVDBMIGSSA-N 2 1 368.522 0.640 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102473681 1220643984 /nfs/dbraw/zinc/64/39/84/1220643984.db2.gz KUSIREUTGYUYMQ-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(CCOC)no2)C[C@H]1C ZINC001102473681 1220643986 /nfs/dbraw/zinc/64/39/86/1220643986.db2.gz KUSIREUTGYUYMQ-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP Cc1nonc1C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488653 1220652415 /nfs/dbraw/zinc/65/24/15/1220652415.db2.gz CORKTFVMWPCLGR-UKRRQHHQSA-N 2 1 365.478 0.673 20 0 FCADMP Cc1nonc1C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488653 1220652416 /nfs/dbraw/zinc/65/24/16/1220652416.db2.gz CORKTFVMWPCLGR-UKRRQHHQSA-N 2 1 365.478 0.673 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511003 1220670478 /nfs/dbraw/zinc/67/04/78/1220670478.db2.gz FIVZEKIJIHBKNC-NVXWUHKLSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520299 1220678857 /nfs/dbraw/zinc/67/88/57/1220678857.db2.gz FBZQOSFDICNPJF-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1)C1CC1 ZINC001102579199 1220701660 /nfs/dbraw/zinc/70/16/60/1220701660.db2.gz NCBPWSJWRSYIJQ-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1)C1CC1 ZINC001102579199 1220701661 /nfs/dbraw/zinc/70/16/61/1220701661.db2.gz NCBPWSJWRSYIJQ-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579814 1220702033 /nfs/dbraw/zinc/70/20/33/1220702033.db2.gz QUTQUHFCPUARTP-NVXWUHKLSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579814 1220702037 /nfs/dbraw/zinc/70/20/37/1220702037.db2.gz QUTQUHFCPUARTP-NVXWUHKLSA-N 2 1 360.506 0.968 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102580347 1220702983 /nfs/dbraw/zinc/70/29/83/1220702983.db2.gz RWGHLTKFXCVKJR-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102580347 1220702992 /nfs/dbraw/zinc/70/29/92/1220702992.db2.gz RWGHLTKFXCVKJR-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102612929 1220731369 /nfs/dbraw/zinc/73/13/69/1220731369.db2.gz DJAADYCOMCMGBO-IEBWSBKVSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001102612929 1220731374 /nfs/dbraw/zinc/73/13/74/1220731374.db2.gz DJAADYCOMCMGBO-IEBWSBKVSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001102612929 1220731379 /nfs/dbraw/zinc/73/13/79/1220731379.db2.gz DJAADYCOMCMGBO-IEBWSBKVSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001102612929 1220731383 /nfs/dbraw/zinc/73/13/83/1220731383.db2.gz DJAADYCOMCMGBO-IEBWSBKVSA-N 2 1 363.502 0.811 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781982 1220781587 /nfs/dbraw/zinc/78/15/87/1220781587.db2.gz FUETXVGRXCMGDH-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781982 1220781592 /nfs/dbraw/zinc/78/15/92/1220781592.db2.gz FUETXVGRXCMGDH-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102781982 1220781600 /nfs/dbraw/zinc/78/16/00/1220781600.db2.gz FUETXVGRXCMGDH-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102781982 1220781608 /nfs/dbraw/zinc/78/16/08/1220781608.db2.gz FUETXVGRXCMGDH-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001103003579 1220818961 /nfs/dbraw/zinc/81/89/61/1220818961.db2.gz RZKXOVUAFUPFQA-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001103003579 1220818964 /nfs/dbraw/zinc/81/89/64/1220818964.db2.gz RZKXOVUAFUPFQA-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001103003579 1220818966 /nfs/dbraw/zinc/81/89/66/1220818966.db2.gz RZKXOVUAFUPFQA-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136695 1220838709 /nfs/dbraw/zinc/83/87/09/1220838709.db2.gz ONLOFYDBHAEOKT-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136695 1220838710 /nfs/dbraw/zinc/83/87/10/1220838710.db2.gz ONLOFYDBHAEOKT-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136695 1220838711 /nfs/dbraw/zinc/83/87/11/1220838711.db2.gz ONLOFYDBHAEOKT-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136695 1220838714 /nfs/dbraw/zinc/83/87/14/1220838714.db2.gz ONLOFYDBHAEOKT-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157758 1220841563 /nfs/dbraw/zinc/84/15/63/1220841563.db2.gz BBKPBYCWBKIHBV-MGPQQGTHSA-N 2 1 369.510 0.374 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157758 1220841564 /nfs/dbraw/zinc/84/15/64/1220841564.db2.gz BBKPBYCWBKIHBV-MGPQQGTHSA-N 2 1 369.510 0.374 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103157758 1220841565 /nfs/dbraw/zinc/84/15/65/1220841565.db2.gz BBKPBYCWBKIHBV-MGPQQGTHSA-N 2 1 369.510 0.374 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170784 1220843668 /nfs/dbraw/zinc/84/36/68/1220843668.db2.gz IFZXCSKDAKCZIN-RBSFLKMASA-N 2 1 368.478 0.431 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170784 1220843669 /nfs/dbraw/zinc/84/36/69/1220843669.db2.gz IFZXCSKDAKCZIN-RBSFLKMASA-N 2 1 368.478 0.431 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185585 1220847635 /nfs/dbraw/zinc/84/76/35/1220847635.db2.gz FNDOFILFTHXONN-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365225 1220871383 /nfs/dbraw/zinc/87/13/83/1220871383.db2.gz URJYCTIBDBDARZ-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103365225 1220871385 /nfs/dbraw/zinc/87/13/85/1220871385.db2.gz URJYCTIBDBDARZ-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103365225 1220871387 /nfs/dbraw/zinc/87/13/87/1220871387.db2.gz URJYCTIBDBDARZ-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537170 1220896948 /nfs/dbraw/zinc/89/69/48/1220896948.db2.gz XBLUYKKKPRQPDX-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537170 1220896949 /nfs/dbraw/zinc/89/69/49/1220896949.db2.gz XBLUYKKKPRQPDX-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536983 1220897056 /nfs/dbraw/zinc/89/70/56/1220897056.db2.gz LXJNWUXLVICRJU-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536983 1220897059 /nfs/dbraw/zinc/89/70/59/1220897059.db2.gz LXJNWUXLVICRJU-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103550158 1220899193 /nfs/dbraw/zinc/89/91/93/1220899193.db2.gz BRJSDKVCOSJJPR-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641852 1220924612 /nfs/dbraw/zinc/92/46/12/1220924612.db2.gz GQTHUHIKHNFYFL-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP CCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641852 1220924615 /nfs/dbraw/zinc/92/46/15/1220924615.db2.gz GQTHUHIKHNFYFL-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nn1 ZINC001103643810 1220925546 /nfs/dbraw/zinc/92/55/46/1220925546.db2.gz RIAQGBZKPDHQII-HZPDHXFCSA-N 2 1 366.510 0.450 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647194 1220928008 /nfs/dbraw/zinc/92/80/08/1220928008.db2.gz YZVOTDKKBLKZEJ-BZUAXINKSA-N 2 1 362.518 0.824 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722295 1220951760 /nfs/dbraw/zinc/95/17/60/1220951760.db2.gz GPXVJYMDBUSXHA-SJLPKXTDSA-N 2 1 368.522 0.309 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721295 1220951882 /nfs/dbraw/zinc/95/18/82/1220951882.db2.gz MLQGSDVLSGRLFD-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721295 1220951884 /nfs/dbraw/zinc/95/18/84/1220951884.db2.gz MLQGSDVLSGRLFD-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721295 1220951893 /nfs/dbraw/zinc/95/18/93/1220951893.db2.gz MLQGSDVLSGRLFD-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721295 1220951900 /nfs/dbraw/zinc/95/19/00/1220951900.db2.gz MLQGSDVLSGRLFD-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103723510 1220952205 /nfs/dbraw/zinc/95/22/05/1220952205.db2.gz NONBGCWGDSJXSG-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103723510 1220952208 /nfs/dbraw/zinc/95/22/08/1220952208.db2.gz NONBGCWGDSJXSG-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103755372 1220965973 /nfs/dbraw/zinc/96/59/73/1220965973.db2.gz DTRABUKZXSSWAM-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103755372 1220965976 /nfs/dbraw/zinc/96/59/76/1220965976.db2.gz DTRABUKZXSSWAM-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103755372 1220965980 /nfs/dbraw/zinc/96/59/80/1220965980.db2.gz DTRABUKZXSSWAM-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103755373 1220966225 /nfs/dbraw/zinc/96/62/25/1220966225.db2.gz DYZHTXCDGAWUBE-HZPDHXFCSA-N 2 1 366.506 0.550 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103755373 1220966227 /nfs/dbraw/zinc/96/62/27/1220966227.db2.gz DYZHTXCDGAWUBE-HZPDHXFCSA-N 2 1 366.506 0.550 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103755373 1220966228 /nfs/dbraw/zinc/96/62/28/1220966228.db2.gz DYZHTXCDGAWUBE-HZPDHXFCSA-N 2 1 366.506 0.550 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034102 1221001614 /nfs/dbraw/zinc/00/16/14/1221001614.db2.gz SGQZCDZPOBGXOO-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034102 1221001616 /nfs/dbraw/zinc/00/16/16/1221001616.db2.gz SGQZCDZPOBGXOO-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)CC[NH+]1C ZINC001111752466 1221090414 /nfs/dbraw/zinc/09/04/14/1221090414.db2.gz RQRZKOBMVPUBPZ-ASKNOMKYSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855690 1221137288 /nfs/dbraw/zinc/13/72/88/1221137288.db2.gz IMCGFRWHQFICSN-SIFCLUCFSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001111853991 1221137440 /nfs/dbraw/zinc/13/74/40/1221137440.db2.gz DXUBUIDALJCKCH-LNLFQRSKSA-N 2 1 363.506 0.557 20 0 FCADMP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)CCO1 ZINC001111864372 1221141209 /nfs/dbraw/zinc/14/12/09/1221141209.db2.gz MVTZKJNWYMWWKI-BXWFABGCSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001111874226 1221146661 /nfs/dbraw/zinc/14/66/61/1221146661.db2.gz UCTDQTMZDFAIJD-BXWFABGCSA-N 2 1 366.506 0.204 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001111874226 1221146670 /nfs/dbraw/zinc/14/66/70/1221146670.db2.gz UCTDQTMZDFAIJD-BXWFABGCSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000782582171 1221172725 /nfs/dbraw/zinc/17/27/25/1221172725.db2.gz XAZNDGXFGPSTSE-MRXNPFEDSA-N 2 1 373.501 0.835 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927037 1221173383 /nfs/dbraw/zinc/17/33/83/1221173383.db2.gz VXQOCWZDEXRLHX-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927037 1221173384 /nfs/dbraw/zinc/17/33/84/1221173384.db2.gz VXQOCWZDEXRLHX-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111927037 1221173387 /nfs/dbraw/zinc/17/33/87/1221173387.db2.gz VXQOCWZDEXRLHX-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111927037 1221173390 /nfs/dbraw/zinc/17/33/90/1221173390.db2.gz VXQOCWZDEXRLHX-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCOCC1)C2 ZINC001111926777 1221173446 /nfs/dbraw/zinc/17/34/46/1221173446.db2.gz ICPXUZLQIYXCNN-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC001111926777 1221173447 /nfs/dbraw/zinc/17/34/47/1221173447.db2.gz ICPXUZLQIYXCNN-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001111926777 1221173450 /nfs/dbraw/zinc/17/34/50/1221173450.db2.gz ICPXUZLQIYXCNN-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937953 1221178762 /nfs/dbraw/zinc/17/87/62/1221178762.db2.gz DEFQINYABBZOEG-YJBOKZPZSA-N 2 1 364.494 0.347 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937953 1221178765 /nfs/dbraw/zinc/17/87/65/1221178765.db2.gz DEFQINYABBZOEG-YJBOKZPZSA-N 2 1 364.494 0.347 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C2 ZINC001111938062 1221179222 /nfs/dbraw/zinc/17/92/22/1221179222.db2.gz JLIGPGWPNXOEOH-KXBFYZLASA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938112 1221179233 /nfs/dbraw/zinc/17/92/33/1221179233.db2.gz LTSMUTOSRWRNKP-GUXCAODWSA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCOC)C3)C1 ZINC001111996306 1221196644 /nfs/dbraw/zinc/19/66/44/1221196644.db2.gz UMFUDMWQCWTJLX-LNLFQRSKSA-N 2 1 369.506 0.341 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCOC)C3)C1 ZINC001111996306 1221196646 /nfs/dbraw/zinc/19/66/46/1221196646.db2.gz UMFUDMWQCWTJLX-LNLFQRSKSA-N 2 1 369.506 0.341 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCOC)C3)C1 ZINC001111996306 1221196648 /nfs/dbraw/zinc/19/66/48/1221196648.db2.gz UMFUDMWQCWTJLX-LNLFQRSKSA-N 2 1 369.506 0.341 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCOC)C3)C1 ZINC001111996306 1221196649 /nfs/dbraw/zinc/19/66/49/1221196649.db2.gz UMFUDMWQCWTJLX-LNLFQRSKSA-N 2 1 369.506 0.341 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001112005206 1221199134 /nfs/dbraw/zinc/19/91/34/1221199134.db2.gz ZHXRMLHMOUBRAC-KXBFYZLASA-N 2 1 364.490 0.446 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112285482 1221230266 /nfs/dbraw/zinc/23/02/66/1221230266.db2.gz ZCRNOTHVEFKQHX-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)C1 ZINC001112291479 1221232824 /nfs/dbraw/zinc/23/28/24/1221232824.db2.gz MHVHFIBRKSNQKH-SCTDSRPQSA-N 2 1 361.490 0.432 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)C1 ZINC001112291479 1221232829 /nfs/dbraw/zinc/23/28/29/1221232829.db2.gz MHVHFIBRKSNQKH-SCTDSRPQSA-N 2 1 361.490 0.432 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692528 1226028139 /nfs/dbraw/zinc/02/81/39/1226028139.db2.gz JGFCSVFVPFCTAC-RRFJBIMHSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@@H](CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179095 1221304813 /nfs/dbraw/zinc/30/48/13/1221304813.db2.gz AQHUBNSINOEWEN-OTJKEOIZSA-N 2 1 366.462 0.626 20 0 FCADMP C[C@@H](CC[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179095 1221304819 /nfs/dbraw/zinc/30/48/19/1221304819.db2.gz AQHUBNSINOEWEN-OTJKEOIZSA-N 2 1 366.462 0.626 20 0 FCADMP C[C@@H](CC[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179095 1221304823 /nfs/dbraw/zinc/30/48/23/1221304823.db2.gz AQHUBNSINOEWEN-OTJKEOIZSA-N 2 1 366.462 0.626 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001116953025 1221407757 /nfs/dbraw/zinc/40/77/57/1221407757.db2.gz KSPYUXZMGVVNEB-IRXDYDNUSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001116953025 1221407763 /nfs/dbraw/zinc/40/77/63/1221407763.db2.gz KSPYUXZMGVVNEB-IRXDYDNUSA-N 2 1 372.513 0.960 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229876843 1226037954 /nfs/dbraw/zinc/03/79/54/1226037954.db2.gz DPLZHQSQGWRVJS-GVDBMIGSSA-N 2 1 370.538 0.886 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001117649475 1221601286 /nfs/dbraw/zinc/60/12/86/1221601286.db2.gz XKTWNDBAXFCLIQ-AWEZNQCLSA-N 2 1 361.490 0.934 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147924 1226058304 /nfs/dbraw/zinc/05/83/04/1226058304.db2.gz XDNJJMPUQJAFAH-HZPDHXFCSA-N 2 1 365.478 0.361 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001230215256 1226065498 /nfs/dbraw/zinc/06/54/98/1226065498.db2.gz LDANJIUQEVZTLB-BRWVUGGUSA-N 2 1 366.506 0.250 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001230215256 1226065502 /nfs/dbraw/zinc/06/55/02/1226065502.db2.gz LDANJIUQEVZTLB-BRWVUGGUSA-N 2 1 366.506 0.250 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215114 1226064330 /nfs/dbraw/zinc/06/43/30/1226064330.db2.gz GEGWDFMPPXOUJW-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215114 1226064332 /nfs/dbraw/zinc/06/43/32/1226064332.db2.gz GEGWDFMPPXOUJW-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215113 1226064382 /nfs/dbraw/zinc/06/43/82/1226064382.db2.gz GEGWDFMPPXOUJW-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215113 1226064390 /nfs/dbraw/zinc/06/43/90/1226064390.db2.gz GEGWDFMPPXOUJW-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC001118147736 1221719981 /nfs/dbraw/zinc/71/99/81/1221719981.db2.gz JANOYTXCZAPCNV-UHFFFAOYSA-N 2 1 361.490 0.536 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230274774 1226070712 /nfs/dbraw/zinc/07/07/12/1226070712.db2.gz KZJLRDJWHXQBBR-BRWVUGGUSA-N 2 1 370.538 0.885 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)CC1 ZINC001119343737 1221902303 /nfs/dbraw/zinc/90/23/03/1221902303.db2.gz MFAYENLVWODVFQ-SFHVURJKSA-N 2 1 374.485 0.769 20 0 FCADMP C[NH+]1CC=C(CNc2nc(NCC3=CC[N@@H+](C)CC3)cc(C(N)=O)n2)CC1 ZINC001120031306 1222010816 /nfs/dbraw/zinc/01/08/16/1222010816.db2.gz QOZQPVPBUUVJCJ-UHFFFAOYSA-N 2 1 371.489 0.923 20 0 FCADMP C[NH+]1CC=C(CNc2cc(C(N)=O)nc(NCC3=CC[N@H+](C)CC3)n2)CC1 ZINC001120031306 1222010823 /nfs/dbraw/zinc/01/08/23/1222010823.db2.gz QOZQPVPBUUVJCJ-UHFFFAOYSA-N 2 1 371.489 0.923 20 0 FCADMP C[NH+]1CC=C(CNc2cc(C(N)=O)nc(NCC3=CC[N@@H+](C)CC3)n2)CC1 ZINC001120031306 1222010827 /nfs/dbraw/zinc/01/08/27/1222010827.db2.gz QOZQPVPBUUVJCJ-UHFFFAOYSA-N 2 1 371.489 0.923 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@H]1CCn2c[nH+]cc2C1 ZINC001120511668 1222097371 /nfs/dbraw/zinc/09/73/71/1222097371.db2.gz SLIHEYQERGFHHX-HOCLYGCPSA-N 2 1 355.398 0.665 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@H](C)C1 ZINC001120579104 1222105431 /nfs/dbraw/zinc/10/54/31/1222105431.db2.gz MSKOSFFZXSBCDU-MZMPZRCHSA-N 2 1 360.458 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@H](C)C1 ZINC001120579104 1222105434 /nfs/dbraw/zinc/10/54/34/1222105434.db2.gz MSKOSFFZXSBCDU-MZMPZRCHSA-N 2 1 360.458 0.890 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001121363508 1222168866 /nfs/dbraw/zinc/16/88/66/1222168866.db2.gz WNRNGFVKRRMMEU-UHFFFAOYSA-N 2 1 366.510 0.145 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122385384 1222270197 /nfs/dbraw/zinc/27/01/97/1222270197.db2.gz CEVNYMKTMVWBCC-IBGZPJMESA-N 2 1 359.470 0.867 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122385384 1222270198 /nfs/dbraw/zinc/27/01/98/1222270198.db2.gz CEVNYMKTMVWBCC-IBGZPJMESA-N 2 1 359.470 0.867 20 0 FCADMP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122521718 1222279750 /nfs/dbraw/zinc/27/97/50/1222279750.db2.gz QLCRYRDLGRRASR-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513296 1222336293 /nfs/dbraw/zinc/33/62/93/1222336293.db2.gz WRABSNRJTUPXMN-QFBILLFUSA-N 2 1 357.502 0.761 20 0 FCADMP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@H+]2C)(N2CCOCC2)CC1 ZINC001123625443 1222345309 /nfs/dbraw/zinc/34/53/09/1222345309.db2.gz SEVFONUWIGNWGX-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)CC1 ZINC001123637557 1222345701 /nfs/dbraw/zinc/34/57/01/1222345701.db2.gz VXKYFGAMDRFBSQ-HCXYKTFWSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001123637557 1222345705 /nfs/dbraw/zinc/34/57/05/1222345705.db2.gz VXKYFGAMDRFBSQ-HCXYKTFWSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001123637557 1222345709 /nfs/dbraw/zinc/34/57/09/1222345709.db2.gz VXKYFGAMDRFBSQ-HCXYKTFWSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123695607 1222351226 /nfs/dbraw/zinc/35/12/26/1222351226.db2.gz UXMFGXVADWMSLV-SJLPKXTDSA-N 2 1 367.538 0.375 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC001123775322 1222355516 /nfs/dbraw/zinc/35/55/16/1222355516.db2.gz UFLBWXXAJSPTBT-VBSBHUPXSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001123775322 1222355518 /nfs/dbraw/zinc/35/55/18/1222355518.db2.gz UFLBWXXAJSPTBT-VBSBHUPXSA-N 2 1 372.513 0.374 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001123775322 1222355525 /nfs/dbraw/zinc/35/55/25/1222355525.db2.gz UFLBWXXAJSPTBT-VBSBHUPXSA-N 2 1 372.513 0.374 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000828603958 1222410479 /nfs/dbraw/zinc/41/04/79/1222410479.db2.gz TWWIYRPWXXEPQC-GOSISDBHSA-N 2 1 373.501 0.963 20 0 FCADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000828603370 1222410632 /nfs/dbraw/zinc/41/06/32/1222410632.db2.gz OAFUUDILBFNVIQ-OAHLLOKOSA-N 2 1 373.501 0.976 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH]1 ZINC001277572097 1226130176 /nfs/dbraw/zinc/13/01/76/1226130176.db2.gz JOVZXFHGWZAMNT-SFHVURJKSA-N 2 1 364.446 0.166 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH]1 ZINC001277572097 1226130181 /nfs/dbraw/zinc/13/01/81/1226130181.db2.gz JOVZXFHGWZAMNT-SFHVURJKSA-N 2 1 364.446 0.166 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771331 1222524032 /nfs/dbraw/zinc/52/40/32/1222524032.db2.gz MGDGSHIEJCTPCW-HXUWFJFHSA-N 2 1 374.485 0.550 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccnc2N)CC1 ZINC001140009581 1222563177 /nfs/dbraw/zinc/56/31/77/1222563177.db2.gz GFHGKVDCXQHXSN-IAGOWNOFSA-N 2 1 358.490 0.966 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2nccnc2N)CC1 ZINC001140009581 1222563183 /nfs/dbraw/zinc/56/31/83/1222563183.db2.gz GFHGKVDCXQHXSN-IAGOWNOFSA-N 2 1 358.490 0.966 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755939 1222587193 /nfs/dbraw/zinc/58/71/93/1222587193.db2.gz UBILMNCGGMOOOY-YVSFHVDLSA-N 2 1 368.522 0.543 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000834755939 1222587195 /nfs/dbraw/zinc/58/71/95/1222587195.db2.gz UBILMNCGGMOOOY-YVSFHVDLSA-N 2 1 368.522 0.543 20 0 FCADMP COCCN1C[C@@H]2C[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C[C@@H]2C1=O ZINC001140972001 1222626269 /nfs/dbraw/zinc/62/62/69/1222626269.db2.gz PNHBRQZARMQXOB-OALUTQOASA-N 2 1 372.513 0.975 20 0 FCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838302254 1222677028 /nfs/dbraw/zinc/67/70/28/1222677028.db2.gz OKINPPJLVGADEY-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838302254 1222677030 /nfs/dbraw/zinc/67/70/30/1222677030.db2.gz OKINPPJLVGADEY-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838302254 1222677034 /nfs/dbraw/zinc/67/70/34/1222677034.db2.gz OKINPPJLVGADEY-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000838475422 1222681014 /nfs/dbraw/zinc/68/10/14/1222681014.db2.gz DHYVEQVGEOPWFS-SOLBZPMBSA-N 2 1 368.522 0.726 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475741 1222681503 /nfs/dbraw/zinc/68/15/03/1222681503.db2.gz JPSASEIZWPMOIE-ZWKOTPCHSA-N 2 1 368.522 0.776 20 0 FCADMP C[C@]1(C(N)=O)CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062309 1222768151 /nfs/dbraw/zinc/76/81/51/1222768151.db2.gz UZVPIFASLKMOPC-YRNRMSPPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@]1(C(N)=O)CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062309 1222768157 /nfs/dbraw/zinc/76/81/57/1222768157.db2.gz UZVPIFASLKMOPC-YRNRMSPPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@]1(C(N)=O)CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062309 1222768160 /nfs/dbraw/zinc/76/81/60/1222768160.db2.gz UZVPIFASLKMOPC-YRNRMSPPSA-N 2 1 370.453 0.258 20 0 FCADMP C[C@]1(C(N)=O)CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840062309 1222768166 /nfs/dbraw/zinc/76/81/66/1222768166.db2.gz UZVPIFASLKMOPC-YRNRMSPPSA-N 2 1 370.453 0.258 20 0 FCADMP COCc1cccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001277662324 1226151200 /nfs/dbraw/zinc/15/12/00/1226151200.db2.gz PBOHNAZHWRXGPD-IBGZPJMESA-N 2 1 362.474 0.593 20 0 FCADMP COCc1cccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001277662324 1226151202 /nfs/dbraw/zinc/15/12/02/1226151202.db2.gz PBOHNAZHWRXGPD-IBGZPJMESA-N 2 1 362.474 0.593 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC001141828332 1222780964 /nfs/dbraw/zinc/78/09/64/1222780964.db2.gz RQYUNYYXPQUFHQ-HZPDHXFCSA-N 2 1 370.457 0.951 20 0 FCADMP COC(=O)c1cnc(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC001141828332 1222780966 /nfs/dbraw/zinc/78/09/66/1222780966.db2.gz RQYUNYYXPQUFHQ-HZPDHXFCSA-N 2 1 370.457 0.951 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841137239 1222809686 /nfs/dbraw/zinc/80/96/86/1222809686.db2.gz SLIDJQHPXGIVGA-IBGZPJMESA-N 2 1 360.458 0.907 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000841282987 1222818029 /nfs/dbraw/zinc/81/80/29/1222818029.db2.gz ZXUDXWFAMBTCJA-RHSMWYFYSA-N 2 1 359.474 0.573 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CCC([NH3+])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842189763 1222839740 /nfs/dbraw/zinc/83/97/40/1222839740.db2.gz QFVGCSRTSLCKDY-HXUWFJFHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000842190596 1222839810 /nfs/dbraw/zinc/83/98/10/1222839810.db2.gz UYIPRHRKQGXPBS-MDYRTPRTSA-N 2 1 358.486 0.820 20 0 FCADMP [NH3+]C1(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCN(Cc2ccccc2)CC1 ZINC000842513093 1222848539 /nfs/dbraw/zinc/84/85/39/1222848539.db2.gz RWNAFMOHNOMMRV-UHFFFAOYSA-N 2 1 368.485 0.779 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C)n1 ZINC001277689962 1226158886 /nfs/dbraw/zinc/15/88/86/1226158886.db2.gz MRVFVGQLJLJYTI-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000843243333 1222862299 /nfs/dbraw/zinc/86/22/99/1222862299.db2.gz ASZAKFSHHTYRGT-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000843243333 1222862300 /nfs/dbraw/zinc/86/23/00/1222862300.db2.gz ASZAKFSHHTYRGT-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000843243333 1222862301 /nfs/dbraw/zinc/86/23/01/1222862301.db2.gz ASZAKFSHHTYRGT-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000843243333 1222862302 /nfs/dbraw/zinc/86/23/02/1222862302.db2.gz ASZAKFSHHTYRGT-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000843243333 1222862304 /nfs/dbraw/zinc/86/23/04/1222862304.db2.gz ASZAKFSHHTYRGT-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4ncncc34)CC[C@@H]2C1 ZINC001232655251 1226159696 /nfs/dbraw/zinc/15/96/96/1226159696.db2.gz LJXAOSJOZUWXER-RHSMWYFYSA-N 2 1 372.473 0.520 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3c[nH]c4ncncc34)CC[C@@H]2C1 ZINC001232655251 1226159697 /nfs/dbraw/zinc/15/96/97/1226159697.db2.gz LJXAOSJOZUWXER-RHSMWYFYSA-N 2 1 372.473 0.520 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3c[nH]c4ncncc34)CC[C@@H]2C1 ZINC001232655251 1226159702 /nfs/dbraw/zinc/15/97/02/1226159702.db2.gz LJXAOSJOZUWXER-RHSMWYFYSA-N 2 1 372.473 0.520 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843349356 1222871996 /nfs/dbraw/zinc/87/19/96/1222871996.db2.gz WEWRDFHSOVJDDP-UHFFFAOYSA-N 2 1 373.501 0.267 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843349356 1222871999 /nfs/dbraw/zinc/87/19/99/1222871999.db2.gz WEWRDFHSOVJDDP-UHFFFAOYSA-N 2 1 373.501 0.267 20 0 FCADMP COc1ccnc(N(C(=O)CC[NH+]2CCN(C)CC2)C2CC[NH2+]CC2)c1 ZINC001143231935 1222872198 /nfs/dbraw/zinc/87/21/98/1222872198.db2.gz WQSWHEKOUMCMTB-UHFFFAOYSA-N 2 1 361.490 0.813 20 0 FCADMP C[NH+]1CCN(CCC(=O)NCc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001143236746 1222872952 /nfs/dbraw/zinc/87/29/52/1222872952.db2.gz SQWGBGPYVHPCEC-UHFFFAOYSA-N 2 1 359.518 0.692 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363626 1222873729 /nfs/dbraw/zinc/87/37/29/1222873729.db2.gz DMMNFKWHFPFHKI-UHFFFAOYSA-N 2 1 358.486 0.966 20 0 FCADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843368337 1222873813 /nfs/dbraw/zinc/87/38/13/1222873813.db2.gz QSPFTYHYILPTDM-QGZVFWFLSA-N 2 1 363.462 0.348 20 0 FCADMP CC(C)OCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881085 1222891340 /nfs/dbraw/zinc/89/13/40/1222891340.db2.gz DIZGPYRUMZDTRY-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881085 1222891341 /nfs/dbraw/zinc/89/13/41/1222891341.db2.gz DIZGPYRUMZDTRY-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881085 1222891342 /nfs/dbraw/zinc/89/13/42/1222891342.db2.gz DIZGPYRUMZDTRY-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881085 1222891344 /nfs/dbraw/zinc/89/13/44/1222891344.db2.gz DIZGPYRUMZDTRY-FGTMMUONSA-N 2 1 371.522 0.728 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC(C)([NH+](C)C)C3)cn21 ZINC001150400932 1222902116 /nfs/dbraw/zinc/90/21/16/1222902116.db2.gz LEGMAMVESBUXSO-HNNXBMFYSA-N 2 1 371.489 0.424 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC(C)([NH+](C)C)C3)cn21 ZINC001150400932 1222902119 /nfs/dbraw/zinc/90/21/19/1222902119.db2.gz LEGMAMVESBUXSO-HNNXBMFYSA-N 2 1 371.489 0.424 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](CC(=O)N(C)C)CC1 ZINC001151138219 1222916926 /nfs/dbraw/zinc/91/69/26/1222916926.db2.gz VEGTUVAIKXYBPV-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](CC(=O)N(C)C)CC1 ZINC001151138219 1222916930 /nfs/dbraw/zinc/91/69/30/1222916930.db2.gz VEGTUVAIKXYBPV-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP CCOC(=O)[C@]12CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001154686856 1223015839 /nfs/dbraw/zinc/01/58/39/1223015839.db2.gz HRRGKVIOKVLSHC-AUUYWEPGSA-N 3 1 374.489 0.383 20 0 FCADMP CCOC(=O)[C@]12CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154695882 1223016228 /nfs/dbraw/zinc/01/62/28/1223016228.db2.gz GOEHYRAQVVXTTC-DNVCBOLYSA-N 2 1 374.489 0.207 20 0 FCADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(C(=O)N4CCOCC4)cn3)C2)C1 ZINC001155373222 1223033797 /nfs/dbraw/zinc/03/37/97/1223033797.db2.gz OHXGTGMTGWHGKZ-QGZVFWFLSA-N 2 1 359.474 0.413 20 0 FCADMP C(C[C@@H]1CCOC12C[NH2+]C2)Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001155477017 1223035749 /nfs/dbraw/zinc/03/57/49/1223035749.db2.gz DYPYHEDPQDOZFI-OAHLLOKOSA-N 2 1 373.505 0.674 20 0 FCADMP C(Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527292 1223037574 /nfs/dbraw/zinc/03/75/74/1223037574.db2.gz VTZMDISRGQWIOC-OAGGEKHMSA-N 2 1 373.505 0.530 20 0 FCADMP Cc1cc(C[NH3+])nn1-c1cc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001156038811 1223048609 /nfs/dbraw/zinc/04/86/09/1223048609.db2.gz XYEHLYXSOJXQTE-UHFFFAOYSA-N 2 1 359.434 0.103 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001157169697 1223069326 /nfs/dbraw/zinc/06/93/26/1223069326.db2.gz SZYDFBWWKAHKMO-OAHLLOKOSA-N 2 1 365.522 0.700 20 0 FCADMP [NH3+]CCCC[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCCC1 ZINC001157370918 1223075479 /nfs/dbraw/zinc/07/54/79/1223075479.db2.gz KVMJVNIKSAWWKB-ZWKOTPCHSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC001157978367 1223086030 /nfs/dbraw/zinc/08/60/30/1223086030.db2.gz SVYSSVOGLFHKAM-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001157978367 1223086034 /nfs/dbraw/zinc/08/60/34/1223086034.db2.gz SVYSSVOGLFHKAM-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001157978367 1223086036 /nfs/dbraw/zinc/08/60/36/1223086036.db2.gz SVYSSVOGLFHKAM-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCCNCc1ncnn1C ZINC001158249894 1223091540 /nfs/dbraw/zinc/09/15/40/1223091540.db2.gz RTVZAQRWMKNPJR-HUUCEWRRSA-N 2 1 357.462 0.579 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001158413168 1223097248 /nfs/dbraw/zinc/09/72/48/1223097248.db2.gz WYJNPNGIWBOUGE-AEGPPILISA-N 2 1 367.494 0.189 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158558584 1223102222 /nfs/dbraw/zinc/10/22/22/1223102222.db2.gz SQAGKPIPWNZNQH-SBHAEUEKSA-N 2 1 371.529 0.343 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158661946 1223104921 /nfs/dbraw/zinc/10/49/21/1223104921.db2.gz ZYOATCGUTXJAIU-ZDUSSCGKSA-N 2 1 359.434 0.100 20 0 FCADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158697582 1223105566 /nfs/dbraw/zinc/10/55/66/1223105566.db2.gz DHXMTCCPWDSQMU-GOSISDBHSA-N 3 1 362.522 0.737 20 0 FCADMP CN1CCO[C@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]21 ZINC001158804077 1223110124 /nfs/dbraw/zinc/11/01/24/1223110124.db2.gz KIWGRFUQHYJZDZ-QRVBRYPASA-N 2 1 370.497 0.249 20 0 FCADMP CN1CCO[C@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]21 ZINC001158804077 1223110127 /nfs/dbraw/zinc/11/01/27/1223110127.db2.gz KIWGRFUQHYJZDZ-QRVBRYPASA-N 2 1 370.497 0.249 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158891387 1223112117 /nfs/dbraw/zinc/11/21/17/1223112117.db2.gz YGSRNJFVGLPMNI-OAHLLOKOSA-N 2 1 368.522 0.722 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159135637 1223118480 /nfs/dbraw/zinc/11/84/80/1223118480.db2.gz XOWONGSRWQOORX-RMRDIRSESA-N 2 1 373.501 0.746 20 0 FCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccc([C@@H]([NH3+])CN)cc2)C1 ZINC001159134814 1223118537 /nfs/dbraw/zinc/11/85/37/1223118537.db2.gz PTMXVYMYHNAPSC-PBHICJAKSA-N 2 1 356.474 0.675 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001159165696 1223119485 /nfs/dbraw/zinc/11/94/85/1223119485.db2.gz DQYZCZMBOPXFJP-FUHIMQAGSA-N 2 1 374.485 0.633 20 0 FCADMP CCn1nnc2c1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]2COCc1ccccc1 ZINC001159246589 1223121616 /nfs/dbraw/zinc/12/16/16/1223121616.db2.gz IMVYUQQUHYTTLN-DOTOQJQBSA-N 2 1 372.473 0.617 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317900 1223124152 /nfs/dbraw/zinc/12/41/52/1223124152.db2.gz ZQUMTPIVARFPKC-FCGDIQPGSA-N 2 1 374.485 0.508 20 0 FCADMP CCOC(=O)C1=C(Nc2ncccc2C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001159453094 1223127336 /nfs/dbraw/zinc/12/73/36/1223127336.db2.gz QFJGZRSLMDOWDL-UHFFFAOYSA-N 2 1 359.430 0.349 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159573840 1223129707 /nfs/dbraw/zinc/12/97/07/1223129707.db2.gz JGSWWUMRAZKGSV-HNNXBMFYSA-N 2 1 373.505 0.284 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]2C1 ZINC001159636471 1223131891 /nfs/dbraw/zinc/13/18/91/1223131891.db2.gz TULFBMXZEMUZJM-HSALFYBXSA-N 2 1 373.497 0.897 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666084 1223133103 /nfs/dbraw/zinc/13/31/03/1223133103.db2.gz OYUNYUHLQVYGHQ-KURKYZTESA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666084 1223133106 /nfs/dbraw/zinc/13/31/06/1223133106.db2.gz OYUNYUHLQVYGHQ-KURKYZTESA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666084 1223133112 /nfs/dbraw/zinc/13/31/12/1223133112.db2.gz OYUNYUHLQVYGHQ-KURKYZTESA-N 2 1 370.457 0.176 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C ZINC000977819374 1248658328 /nfs/dbraw/zinc/65/83/28/1248658328.db2.gz SHYKDTRTPCZYLF-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2cc[nH+]c2C)CC[N@H+]1C ZINC000977819374 1248658344 /nfs/dbraw/zinc/65/83/44/1248658344.db2.gz SHYKDTRTPCZYLF-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP [NH3+]C[C@H](O)CC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159887456 1223139001 /nfs/dbraw/zinc/13/90/01/1223139001.db2.gz VVXHRGOJYJEEQN-WBVHZDCISA-N 2 1 368.428 0.851 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001160036853 1223143374 /nfs/dbraw/zinc/14/33/74/1223143374.db2.gz XQKQNHWBYKYRSU-ROUUACIJSA-N 2 1 367.453 0.857 20 0 FCADMP NC1(C(=O)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC[NH2+]CC1 ZINC001160054289 1223143575 /nfs/dbraw/zinc/14/35/75/1223143575.db2.gz YMKVFPBIRKBEFY-UHFFFAOYSA-N 2 1 357.502 0.977 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001160078623 1223144187 /nfs/dbraw/zinc/14/41/87/1223144187.db2.gz XAGNAPLLOVKMHF-BBRMVZONSA-N 2 1 371.407 0.961 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422497 1223158869 /nfs/dbraw/zinc/15/88/69/1223158869.db2.gz HACXNTPTRZZKGT-IQZDNPOKSA-N 2 1 358.486 0.863 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423167 1223159189 /nfs/dbraw/zinc/15/91/89/1223159189.db2.gz KQLQSLNTENZJER-WZGPROSRSA-N 2 1 357.502 0.702 20 0 FCADMP CCOC(=O)N1CCc2nnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)cc2C1 ZINC001160518976 1223163597 /nfs/dbraw/zinc/16/35/97/1223163597.db2.gz JZQOLSSHVMVJHE-GOSISDBHSA-N 2 1 360.462 0.826 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584748 1223165334 /nfs/dbraw/zinc/16/53/34/1223165334.db2.gz FTCHXGKRBMYPSP-ZDUSSCGKSA-N 2 1 360.414 0.123 20 0 FCADMP CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160787490 1223172274 /nfs/dbraw/zinc/17/22/74/1223172274.db2.gz JXYZYMPNPBGJCU-XJKSGUPXSA-N 2 1 365.478 0.894 20 0 FCADMP COc1ccccc1OCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160856965 1223177384 /nfs/dbraw/zinc/17/73/84/1223177384.db2.gz AYMQOUKBAGSQLL-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP COc1ccccc1OCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160856965 1223177388 /nfs/dbraw/zinc/17/73/88/1223177388.db2.gz AYMQOUKBAGSQLL-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP CC1CCC(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160857525 1223178468 /nfs/dbraw/zinc/17/84/68/1223178468.db2.gz IUZLBPGWTQHZKT-MNAZLIDISA-N 2 1 368.522 0.496 20 0 FCADMP CC1CCC(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160857525 1223178472 /nfs/dbraw/zinc/17/84/72/1223178472.db2.gz IUZLBPGWTQHZKT-MNAZLIDISA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@]2(N)CCC[NH2+]C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160957978 1223181772 /nfs/dbraw/zinc/18/17/72/1223181772.db2.gz WFTYVZWPWBSNNI-WTANOLMUSA-N 2 1 371.489 0.712 20 0 FCADMP O=C(C[C@@H]1CCC[NH2+]C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196382 1223188645 /nfs/dbraw/zinc/18/86/45/1223188645.db2.gz FQDOKJUKINQRHE-IBGZPJMESA-N 3 1 366.550 0.927 20 0 FCADMP O=C([C@@H]1CCCC[NH2+]C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197110 1223189121 /nfs/dbraw/zinc/18/91/21/1223189121.db2.gz ZVLLHIRSHTZVHP-LJQANCHMSA-N 3 1 366.550 0.927 20 0 FCADMP O=C([C@H]1C[C@@H]2CC[C@H]1[NH2+]2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196799 1223189291 /nfs/dbraw/zinc/18/92/91/1223189291.db2.gz RVWXQAARFCCIFI-GBESFXJTSA-N 3 1 364.534 0.677 20 0 FCADMP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196839 1223189346 /nfs/dbraw/zinc/18/93/46/1223189346.db2.gz SSZAZPADSIEQHV-ROUUACIJSA-N 3 1 370.513 0.627 20 0 FCADMP C1C[C@@H](N2CCC(Nc3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C[NH2+]1 ZINC001161470984 1223200463 /nfs/dbraw/zinc/20/04/63/1223200463.db2.gz WXAUODUSPKRVOU-OAHLLOKOSA-N 2 1 373.505 0.155 20 0 FCADMP C[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC001161976831 1223209501 /nfs/dbraw/zinc/20/95/01/1223209501.db2.gz UWPDTOOLBMVEDU-GOSISDBHSA-N 2 1 374.529 0.766 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283018 1223212664 /nfs/dbraw/zinc/21/26/64/1223212664.db2.gz FXFPEHLIBRNFRR-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162319727 1223213613 /nfs/dbraw/zinc/21/36/13/1223213613.db2.gz ARCNIWCOBLOJAE-IAGOWNOFSA-N 2 1 371.522 0.587 20 0 FCADMP CCOCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162319727 1223213617 /nfs/dbraw/zinc/21/36/17/1223213617.db2.gz ARCNIWCOBLOJAE-IAGOWNOFSA-N 2 1 371.522 0.587 20 0 FCADMP CSc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc(C2C[NH2+]C2)n1 ZINC001163112153 1223225804 /nfs/dbraw/zinc/22/58/04/1223225804.db2.gz QRMPBJLDBIAAMY-UHFFFAOYSA-N 2 1 373.486 0.547 20 0 FCADMP O=c1cc(CNc2ccc3c(c2)COC32C[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001163120654 1223226517 /nfs/dbraw/zinc/22/65/17/1223226517.db2.gz SSLCKGJZQBWZBB-UHFFFAOYSA-N 2 1 353.426 0.677 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164578808 1223240071 /nfs/dbraw/zinc/24/00/71/1223240071.db2.gz SQPVBNKJPHKXRI-HUUCEWRRSA-N 2 1 363.510 0.970 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164575788 1223240194 /nfs/dbraw/zinc/24/01/94/1223240194.db2.gz HLAHDXZXJNWPMN-MGPQQGTHSA-N 2 1 367.494 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001164576065 1223240249 /nfs/dbraw/zinc/24/02/49/1223240249.db2.gz MJNLTRJCERSAQG-ZIAGYGMSSA-N 2 1 363.462 0.829 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001165727883 1223255093 /nfs/dbraw/zinc/25/50/93/1223255093.db2.gz JSOSVYOHCRFBPP-IJEWVQPXSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC1CC1 ZINC001165727883 1223255098 /nfs/dbraw/zinc/25/50/98/1223255098.db2.gz JSOSVYOHCRFBPP-IJEWVQPXSA-N 2 1 366.506 0.249 20 0 FCADMP c1cnn(Cc2c[nH+]c3n2CCN(c2ncnc4c2CC[NH2+]CC4)CC3)c1 ZINC001165968523 1223263466 /nfs/dbraw/zinc/26/34/66/1223263466.db2.gz CAVQIVLXFFPLSW-UHFFFAOYSA-N 2 1 364.457 0.669 20 0 FCADMP CC(=O)N1CCC[C@@]2(C1)CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CCO2 ZINC001166330389 1223273764 /nfs/dbraw/zinc/27/37/64/1223273764.db2.gz XQHBCAVXEFFQBO-LJQANCHMSA-N 2 1 374.489 0.622 20 0 FCADMP C[NH+](C)CC1(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001205167787 1223314137 /nfs/dbraw/zinc/31/41/37/1223314137.db2.gz VERZVOJOSAEESA-QZTJIDSGSA-N 2 1 361.486 0.394 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001205167829 1223314173 /nfs/dbraw/zinc/31/41/73/1223314173.db2.gz WVWJEBVJBUOLRS-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001205449329 1223323851 /nfs/dbraw/zinc/32/38/51/1223323851.db2.gz RMUQGUASYWBNIO-XOKHGSTOSA-N 2 1 364.465 0.925 20 0 FCADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n(C)n1 ZINC001205897138 1223341564 /nfs/dbraw/zinc/34/15/64/1223341564.db2.gz OGSNCIAOVPYJMD-UHFFFAOYSA-N 2 1 363.506 0.731 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979431 1223400953 /nfs/dbraw/zinc/40/09/53/1223400953.db2.gz WIQMLCPUJMOHGL-ZTFGCOKTSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979431 1223400958 /nfs/dbraw/zinc/40/09/58/1223400958.db2.gz WIQMLCPUJMOHGL-ZTFGCOKTSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCCCOC)C[C@H]2C)CC[N@@H+]1C ZINC001207000398 1223403474 /nfs/dbraw/zinc/40/34/74/1223403474.db2.gz DECNNDTXKNNXMR-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCCCOC)C[C@H]2C)CC[N@H+]1C ZINC001207000398 1223403478 /nfs/dbraw/zinc/40/34/78/1223403478.db2.gz DECNNDTXKNNXMR-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]2C)CC[NH+]1C ZINC001207000398 1223403484 /nfs/dbraw/zinc/40/34/84/1223403484.db2.gz DECNNDTXKNNXMR-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]2C)CC[NH+]1C ZINC001207000398 1223403486 /nfs/dbraw/zinc/40/34/86/1223403486.db2.gz DECNNDTXKNNXMR-YYIAUSFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538651 1223453284 /nfs/dbraw/zinc/45/32/84/1223453284.db2.gz RYQBAQIMUSOMKO-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538651 1223453290 /nfs/dbraw/zinc/45/32/90/1223453290.db2.gz RYQBAQIMUSOMKO-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538651 1223453295 /nfs/dbraw/zinc/45/32/95/1223453295.db2.gz RYQBAQIMUSOMKO-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001207538651 1223453301 /nfs/dbraw/zinc/45/33/01/1223453301.db2.gz RYQBAQIMUSOMKO-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563220 1223456685 /nfs/dbraw/zinc/45/66/85/1223456685.db2.gz JVSUKMCKDITXDQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563220 1223456688 /nfs/dbraw/zinc/45/66/88/1223456688.db2.gz JVSUKMCKDITXDQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563220 1223456692 /nfs/dbraw/zinc/45/66/92/1223456692.db2.gz JVSUKMCKDITXDQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563220 1223456695 /nfs/dbraw/zinc/45/66/95/1223456695.db2.gz JVSUKMCKDITXDQ-HLLBOEOZSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563219 1223457170 /nfs/dbraw/zinc/45/71/70/1223457170.db2.gz JVSUKMCKDITXDQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563219 1223457171 /nfs/dbraw/zinc/45/71/71/1223457171.db2.gz JVSUKMCKDITXDQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563219 1223457172 /nfs/dbraw/zinc/45/71/72/1223457172.db2.gz JVSUKMCKDITXDQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563219 1223457173 /nfs/dbraw/zinc/45/71/73/1223457173.db2.gz JVSUKMCKDITXDQ-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705675 1223473044 /nfs/dbraw/zinc/47/30/44/1223473044.db2.gz GUNXOBHZHRXPMD-OWCLPIDISA-N 2 1 368.522 0.258 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001208074329 1223513987 /nfs/dbraw/zinc/51/39/87/1223513987.db2.gz WCMNPWKFGQJYKA-FGTMMUONSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001276567285 1223533061 /nfs/dbraw/zinc/53/30/61/1223533061.db2.gz XSJANTUNFJWBAL-QAPCUYQASA-N 2 1 354.458 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441515 1223546175 /nfs/dbraw/zinc/54/61/75/1223546175.db2.gz JDVUFJHHXRDNOO-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496215 1223551277 /nfs/dbraw/zinc/55/12/77/1223551277.db2.gz MLTWKOBGYFGJRV-BHIYHBOVSA-N 2 1 363.502 0.952 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575286 1223558264 /nfs/dbraw/zinc/55/82/64/1223558264.db2.gz MQIVPZOCIWMAHC-KBAYOESNSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575144 1223558675 /nfs/dbraw/zinc/55/86/75/1223558675.db2.gz JYIRZRHMIJEBNF-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575144 1223558681 /nfs/dbraw/zinc/55/86/81/1223558681.db2.gz JYIRZRHMIJEBNF-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001208596765 1223561358 /nfs/dbraw/zinc/56/13/58/1223561358.db2.gz YRRIXUBZLRNFCP-GBESFXJTSA-N 2 1 365.518 0.914 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604186 1223561852 /nfs/dbraw/zinc/56/18/52/1223561852.db2.gz CVXPDDSUNCCBBM-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604186 1223561856 /nfs/dbraw/zinc/56/18/56/1223561856.db2.gz CVXPDDSUNCCBBM-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604186 1223561859 /nfs/dbraw/zinc/56/18/59/1223561859.db2.gz CVXPDDSUNCCBBM-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1)C1CC1 ZINC001208721612 1223572557 /nfs/dbraw/zinc/57/25/57/1223572557.db2.gz GDHUAOSSADTHFL-MWQQHZPXSA-N 2 1 373.501 0.971 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1)C1CC1 ZINC001208721612 1223572559 /nfs/dbraw/zinc/57/25/59/1223572559.db2.gz GDHUAOSSADTHFL-MWQQHZPXSA-N 2 1 373.501 0.971 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738570 1223574226 /nfs/dbraw/zinc/57/42/26/1223574226.db2.gz FKIVNFCQWMJLAD-FGTMMUONSA-N 2 1 371.522 0.587 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738935 1223574806 /nfs/dbraw/zinc/57/48/06/1223574806.db2.gz LXUGXPAFNHFNKZ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738935 1223574809 /nfs/dbraw/zinc/57/48/09/1223574809.db2.gz LXUGXPAFNHFNKZ-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](CC1COC(C)(C)OC1)CC2 ZINC001209192769 1223602453 /nfs/dbraw/zinc/60/24/53/1223602453.db2.gz BKJOTZBGDLZNCM-UHFFFAOYSA-N 2 1 366.462 0.723 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](CC1COC(C)(C)OC1)CC2 ZINC001209192769 1223602455 /nfs/dbraw/zinc/60/24/55/1223602455.db2.gz BKJOTZBGDLZNCM-UHFFFAOYSA-N 2 1 366.462 0.723 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4cccnc34)C2)OCC1=O ZINC001276628834 1223605645 /nfs/dbraw/zinc/60/56/45/1223605645.db2.gz CDYXVIDJXICMNR-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP COC(CN1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276629888 1223607850 /nfs/dbraw/zinc/60/78/50/1223607850.db2.gz BKRBEUIBASQTED-IBGZPJMESA-N 2 1 368.522 0.167 20 0 FCADMP COC(CN1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O)OC ZINC001276629919 1223608337 /nfs/dbraw/zinc/60/83/37/1223608337.db2.gz DOYXTASXMQNKTF-LJQANCHMSA-N 2 1 368.522 0.310 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327459 1223611067 /nfs/dbraw/zinc/61/10/67/1223611067.db2.gz JMOGTCPSFJTYGD-GDBMZVCRSA-N 2 1 364.494 0.019 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327459 1223611070 /nfs/dbraw/zinc/61/10/70/1223611070.db2.gz JMOGTCPSFJTYGD-GDBMZVCRSA-N 2 1 364.494 0.019 20 0 FCADMP CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276636453 1223613481 /nfs/dbraw/zinc/61/34/81/1223613481.db2.gz NPLDBLAHHDBERB-FQEVSTJZSA-N 2 1 366.550 0.831 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@]3(CCN(Cc4cnoc4)C3=O)C2)CC1 ZINC001276636597 1223613631 /nfs/dbraw/zinc/61/36/31/1223613631.db2.gz PGSHFVWEUWVSMP-IBGZPJMESA-N 2 1 361.490 0.737 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829928 1223651675 /nfs/dbraw/zinc/65/16/75/1223651675.db2.gz NZGSBHLOIITPMM-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829928 1223651678 /nfs/dbraw/zinc/65/16/78/1223651678.db2.gz NZGSBHLOIITPMM-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315246 1223682444 /nfs/dbraw/zinc/68/24/44/1223682444.db2.gz NMOLWNBZEISHGU-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315246 1223682446 /nfs/dbraw/zinc/68/24/46/1223682446.db2.gz NMOLWNBZEISHGU-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001210724532 1223704756 /nfs/dbraw/zinc/70/47/56/1223704756.db2.gz YQKAQJRXUKJETH-HLLBOEOZSA-N 2 1 361.490 0.706 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192609 1223765181 /nfs/dbraw/zinc/76/51/81/1223765181.db2.gz TUIUMBBURSJANK-RVKOJVRFSA-N 2 1 367.490 0.092 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192609 1223765183 /nfs/dbraw/zinc/76/51/83/1223765183.db2.gz TUIUMBBURSJANK-RVKOJVRFSA-N 2 1 367.490 0.092 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192609 1223765186 /nfs/dbraw/zinc/76/51/86/1223765186.db2.gz TUIUMBBURSJANK-RVKOJVRFSA-N 2 1 367.490 0.092 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191730 1223765443 /nfs/dbraw/zinc/76/54/43/1223765443.db2.gz FMJCRTLYDUVPPX-CBYDULDESA-N 2 1 367.490 0.092 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191730 1223765447 /nfs/dbraw/zinc/76/54/47/1223765447.db2.gz FMJCRTLYDUVPPX-CBYDULDESA-N 2 1 367.490 0.092 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191730 1223765452 /nfs/dbraw/zinc/76/54/52/1223765452.db2.gz FMJCRTLYDUVPPX-CBYDULDESA-N 2 1 367.490 0.092 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213801 1223769733 /nfs/dbraw/zinc/76/97/33/1223769733.db2.gz SBHKSVVLXXEHBD-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213801 1223769736 /nfs/dbraw/zinc/76/97/36/1223769736.db2.gz SBHKSVVLXXEHBD-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342302 1223788125 /nfs/dbraw/zinc/78/81/25/1223788125.db2.gz QFGSUNXOEITQGH-BZUAXINKSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342302 1223788127 /nfs/dbraw/zinc/78/81/27/1223788127.db2.gz QFGSUNXOEITQGH-BZUAXINKSA-N 2 1 368.522 0.399 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368455 1223790947 /nfs/dbraw/zinc/79/09/47/1223790947.db2.gz ALRXEJUIWPYKAF-KZNAEPCWSA-N 2 1 371.522 0.177 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374504 1223791807 /nfs/dbraw/zinc/79/18/07/1223791807.db2.gz JKQJSEOTAHQJIZ-BRWVUGGUSA-N 2 1 370.538 0.787 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374504 1223791809 /nfs/dbraw/zinc/79/18/09/1223791809.db2.gz JKQJSEOTAHQJIZ-BRWVUGGUSA-N 2 1 370.538 0.787 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371420 1223791997 /nfs/dbraw/zinc/79/19/97/1223791997.db2.gz ZMWYKNYFIWKSEA-NVXWUHKLSA-N 2 1 360.462 0.235 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371420 1223791999 /nfs/dbraw/zinc/79/19/99/1223791999.db2.gz ZMWYKNYFIWKSEA-NVXWUHKLSA-N 2 1 360.462 0.235 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378432 1223792562 /nfs/dbraw/zinc/79/25/62/1223792562.db2.gz QIXDTHPQYDRMBW-CGTJXYLNSA-N 2 1 365.474 0.193 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455843 1223801019 /nfs/dbraw/zinc/80/10/19/1223801019.db2.gz QEBAWTKZWRFWFP-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455844 1223801099 /nfs/dbraw/zinc/80/10/99/1223801099.db2.gz QEBAWTKZWRFWFP-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576761 1223816855 /nfs/dbraw/zinc/81/68/55/1223816855.db2.gz VVPOHVLYJIEYBQ-QZTJIDSGSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001213576761 1223816858 /nfs/dbraw/zinc/81/68/58/1223816858.db2.gz VVPOHVLYJIEYBQ-QZTJIDSGSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580803 1223817591 /nfs/dbraw/zinc/81/75/91/1223817591.db2.gz JKCICQFCRGMIAD-QZTJIDSGSA-N 2 1 369.506 0.341 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580803 1223817593 /nfs/dbraw/zinc/81/75/93/1223817593.db2.gz JKCICQFCRGMIAD-QZTJIDSGSA-N 2 1 369.506 0.341 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213598246 1223820637 /nfs/dbraw/zinc/82/06/37/1223820637.db2.gz DZFWFRZAJVJBQJ-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213678045 1223831668 /nfs/dbraw/zinc/83/16/68/1223831668.db2.gz APKCATPBECEMAC-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213678045 1223831669 /nfs/dbraw/zinc/83/16/69/1223831669.db2.gz APKCATPBECEMAC-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1OC ZINC001213678045 1223831670 /nfs/dbraw/zinc/83/16/70/1223831670.db2.gz APKCATPBECEMAC-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213757341 1223844671 /nfs/dbraw/zinc/84/46/71/1223844671.db2.gz DRWHTALLCMFOIF-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCc4ccnn4C)C[C@H]32)CC[N@H+]1C ZINC000978152115 1248707718 /nfs/dbraw/zinc/70/77/18/1248707718.db2.gz DIVTUKXPIVKSKS-LTFXXXRZSA-N 2 1 359.518 0.987 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)CC[NH+]1C ZINC000978152115 1248707729 /nfs/dbraw/zinc/70/77/29/1248707729.db2.gz DIVTUKXPIVKSKS-LTFXXXRZSA-N 2 1 359.518 0.987 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)CC[NH+]1C ZINC000978152115 1248707735 /nfs/dbraw/zinc/70/77/35/1248707735.db2.gz DIVTUKXPIVKSKS-LTFXXXRZSA-N 2 1 359.518 0.987 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213767559 1223846676 /nfs/dbraw/zinc/84/66/76/1223846676.db2.gz ZTPLXEPVUWJVTI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213767559 1223846678 /nfs/dbraw/zinc/84/66/78/1223846678.db2.gz ZTPLXEPVUWJVTI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213767559 1223846679 /nfs/dbraw/zinc/84/66/79/1223846679.db2.gz ZTPLXEPVUWJVTI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213767559 1223846681 /nfs/dbraw/zinc/84/66/81/1223846681.db2.gz ZTPLXEPVUWJVTI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@H](OC)C1)C1CCC1 ZINC001213802191 1223852199 /nfs/dbraw/zinc/85/21/99/1223852199.db2.gz NNKOKVAVOOQJMY-FGTMMUONSA-N 2 1 364.490 0.983 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213860271 1223863231 /nfs/dbraw/zinc/86/32/31/1223863231.db2.gz YHKYRPQQHIAVHP-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213860271 1223863232 /nfs/dbraw/zinc/86/32/32/1223863232.db2.gz YHKYRPQQHIAVHP-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213860271 1223863235 /nfs/dbraw/zinc/86/32/35/1223863235.db2.gz YHKYRPQQHIAVHP-GVDBMIGSSA-N 2 1 364.494 0.216 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929744 1223874993 /nfs/dbraw/zinc/87/49/93/1223874993.db2.gz JJAHNFJHKXGYBD-GUDVDZBRSA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929744 1223874995 /nfs/dbraw/zinc/87/49/95/1223874995.db2.gz JJAHNFJHKXGYBD-GUDVDZBRSA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929744 1223874997 /nfs/dbraw/zinc/87/49/97/1223874997.db2.gz JJAHNFJHKXGYBD-GUDVDZBRSA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930003 1223875167 /nfs/dbraw/zinc/87/51/67/1223875167.db2.gz VNKKJBDLJCTJQO-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930003 1223875168 /nfs/dbraw/zinc/87/51/68/1223875168.db2.gz VNKKJBDLJCTJQO-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930003 1223875170 /nfs/dbraw/zinc/87/51/70/1223875170.db2.gz VNKKJBDLJCTJQO-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214662044 1223930001 /nfs/dbraw/zinc/93/00/01/1223930001.db2.gz RIANTOTVPHPJFD-FRRDWIJNSA-N 2 1 364.450 0.028 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214674410 1223931167 /nfs/dbraw/zinc/93/11/67/1223931167.db2.gz QWJWZNCOEPKHCZ-WQVCFCJDSA-N 2 1 362.478 0.363 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214674410 1223931171 /nfs/dbraw/zinc/93/11/71/1223931171.db2.gz QWJWZNCOEPKHCZ-WQVCFCJDSA-N 2 1 362.478 0.363 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001214850309 1223948090 /nfs/dbraw/zinc/94/80/90/1223948090.db2.gz SBYQLTJWVAGOOC-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001215393167 1223996041 /nfs/dbraw/zinc/99/60/41/1223996041.db2.gz QLPQRWLFEWGKHW-OIISXLGYSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001215393167 1223996043 /nfs/dbraw/zinc/99/60/43/1223996043.db2.gz QLPQRWLFEWGKHW-OIISXLGYSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001215415612 1223998625 /nfs/dbraw/zinc/99/86/25/1223998625.db2.gz CSOZPQCYHNSFAT-UKRRQHHQSA-N 2 1 360.506 0.971 20 0 FCADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276724558 1224005886 /nfs/dbraw/zinc/00/58/86/1224005886.db2.gz YBHYPYVPYBSGEX-IBGZPJMESA-N 2 1 360.458 0.998 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001215558697 1224006534 /nfs/dbraw/zinc/00/65/34/1224006534.db2.gz YSTVIQGZAXWIEM-BPQIPLTHSA-N 2 1 360.502 0.861 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563998 1224006642 /nfs/dbraw/zinc/00/66/42/1224006642.db2.gz WFJWZSVDRVGPKO-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC001215599102 1224008537 /nfs/dbraw/zinc/00/85/37/1224008537.db2.gz QXCMKGMVQGXUCQ-BRWVUGGUSA-N 2 1 361.490 0.914 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001215934446 1224024938 /nfs/dbraw/zinc/02/49/38/1224024938.db2.gz TZJOSJFACCMYFF-SJLPKXTDSA-N 2 1 363.506 0.859 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001215934547 1224025269 /nfs/dbraw/zinc/02/52/69/1224025269.db2.gz YDGLDVNEWFNYSI-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001216464713 1224052706 /nfs/dbraw/zinc/05/27/06/1224052706.db2.gz SPHNMOCNDPDSDA-HUUCEWRRSA-N 2 1 364.494 0.477 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490659 1224052928 /nfs/dbraw/zinc/05/29/28/1224052928.db2.gz JBYJKNGPMUUIEM-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216495197 1224053398 /nfs/dbraw/zinc/05/33/98/1224053398.db2.gz ZOSYEURXHZZJJN-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216752082 1224068300 /nfs/dbraw/zinc/06/83/00/1224068300.db2.gz GIVCKBMMKCIOJP-JKIFEVAISA-N 2 1 360.458 0.719 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216753992 1224068313 /nfs/dbraw/zinc/06/83/13/1224068313.db2.gz CQWMKMHRPGWGGJ-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)c1nnnn1C ZINC001216773000 1224070875 /nfs/dbraw/zinc/07/08/75/1224070875.db2.gz UJTUPNMODCEOMW-OWCLPIDISA-N 2 1 363.510 0.974 20 0 FCADMP CCc1nocc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978348924 1248731535 /nfs/dbraw/zinc/73/15/35/1248731535.db2.gz DYPBYBJBXYZKCW-BVOVVCLWSA-N 2 1 362.474 0.750 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978348924 1248731541 /nfs/dbraw/zinc/73/15/41/1248731541.db2.gz DYPBYBJBXYZKCW-BVOVVCLWSA-N 2 1 362.474 0.750 20 0 FCADMP CCc1nocc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978348924 1248731545 /nfs/dbraw/zinc/73/15/45/1248731545.db2.gz DYPBYBJBXYZKCW-BVOVVCLWSA-N 2 1 362.474 0.750 20 0 FCADMP CCc1nocc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978348924 1248731548 /nfs/dbraw/zinc/73/15/48/1248731548.db2.gz DYPBYBJBXYZKCW-BVOVVCLWSA-N 2 1 362.474 0.750 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCCC3)CC2)O1 ZINC000985491630 1248939870 /nfs/dbraw/zinc/93/98/70/1248939870.db2.gz GWICLDQHALVIMP-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCCC3)CC2)O1 ZINC000985491630 1248939881 /nfs/dbraw/zinc/93/98/81/1248939881.db2.gz GWICLDQHALVIMP-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)CC(=O)N3CCCC3)CC2)O1 ZINC000985491630 1248939890 /nfs/dbraw/zinc/93/98/90/1248939890.db2.gz GWICLDQHALVIMP-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)CC(=O)N3CCCC3)CC2)O1 ZINC000985491630 1248939893 /nfs/dbraw/zinc/93/98/93/1248939893.db2.gz GWICLDQHALVIMP-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000987515228 1249069414 /nfs/dbraw/zinc/06/94/14/1249069414.db2.gz BGNKNKONUPDJER-PMPSAXMXSA-N 2 1 366.506 0.155 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC(O)(C[NH+](C)C)CC3)cc2)CC1 ZINC000823683829 1245320512 /nfs/dbraw/zinc/32/05/12/1245320512.db2.gz CWNYDDDCLMTJRR-UHFFFAOYSA-N 2 1 374.529 0.963 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891536652 1245453211 /nfs/dbraw/zinc/45/32/11/1245453211.db2.gz FHRUIBHBEQYACE-IBGZPJMESA-N 2 1 367.538 0.946 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567024 1245455497 /nfs/dbraw/zinc/45/54/97/1245455497.db2.gz UTIYBZIVACTNGE-MHORFTMASA-N 2 1 365.522 0.223 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+]2CC[C@@H](C)C2)CC1 ZINC000897428711 1245472007 /nfs/dbraw/zinc/47/20/07/1245472007.db2.gz QBUHCSHEBRGOHD-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+]2CC[C@@H](C)C2)CC1 ZINC000897428711 1245472010 /nfs/dbraw/zinc/47/20/10/1245472010.db2.gz QBUHCSHEBRGOHD-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897428711 1245472012 /nfs/dbraw/zinc/47/20/12/1245472012.db2.gz QBUHCSHEBRGOHD-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897428711 1245472015 /nfs/dbraw/zinc/47/20/15/1245472015.db2.gz QBUHCSHEBRGOHD-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)[nH+]c1 ZINC000911480585 1245497845 /nfs/dbraw/zinc/49/78/45/1245497845.db2.gz LLKKBKWHQOHUJN-UHFFFAOYSA-N 2 1 359.474 0.909 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911505202 1245502032 /nfs/dbraw/zinc/50/20/32/1245502032.db2.gz RBSPPEFXFDDPOU-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517805 1245504196 /nfs/dbraw/zinc/50/41/96/1245504196.db2.gz XQDPOXSCSGOJOT-KFKAGJAMSA-N 2 1 370.497 0.918 20 0 FCADMP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923323560 1245708121 /nfs/dbraw/zinc/70/81/21/1245708121.db2.gz JDMGOIBKOFRTOG-KZNAEPCWSA-N 2 1 364.534 0.677 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939887172 1246184174 /nfs/dbraw/zinc/18/41/74/1246184174.db2.gz ITLNYXBOWYBGHS-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939887172 1246184178 /nfs/dbraw/zinc/18/41/78/1246184178.db2.gz ITLNYXBOWYBGHS-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939887173 1246184448 /nfs/dbraw/zinc/18/44/48/1246184448.db2.gz ITLNYXBOWYBGHS-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939887173 1246184450 /nfs/dbraw/zinc/18/44/50/1246184450.db2.gz ITLNYXBOWYBGHS-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000940755734 1246378031 /nfs/dbraw/zinc/37/80/31/1246378031.db2.gz RKUPTZUHUDZFAN-RBSFLKMASA-N 2 1 359.474 0.819 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488935 1246649338 /nfs/dbraw/zinc/64/93/38/1246649338.db2.gz NOUVUJDUMULFIT-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488935 1246649344 /nfs/dbraw/zinc/64/93/44/1246649344.db2.gz NOUVUJDUMULFIT-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488935 1246649351 /nfs/dbraw/zinc/64/93/51/1246649351.db2.gz NOUVUJDUMULFIT-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488935 1246649363 /nfs/dbraw/zinc/64/93/63/1246649363.db2.gz NOUVUJDUMULFIT-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000943068849 1247254957 /nfs/dbraw/zinc/25/49/57/1247254957.db2.gz JPQXTAYPGFXLET-DJIMGWMZSA-N 2 1 371.441 0.242 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@H+]1C ZINC000944619498 1247585197 /nfs/dbraw/zinc/58/51/97/1247585197.db2.gz XTOBLDSPBOKKSO-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)CC2)CC[N@H+]1C ZINC000944948016 1247687466 /nfs/dbraw/zinc/68/74/66/1247687466.db2.gz RWEKPEBDTDLWAJ-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)CC2)CC[NH+]1C ZINC000944948016 1247687471 /nfs/dbraw/zinc/68/74/71/1247687471.db2.gz RWEKPEBDTDLWAJ-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)CC2)CC[NH+]1C ZINC000944948016 1247687478 /nfs/dbraw/zinc/68/74/78/1247687478.db2.gz RWEKPEBDTDLWAJ-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595009 1247908918 /nfs/dbraw/zinc/90/89/18/1247908918.db2.gz DSSNJAQBBKWKBB-HSFUPAIVSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595009 1247908922 /nfs/dbraw/zinc/90/89/22/1247908922.db2.gz DSSNJAQBBKWKBB-HSFUPAIVSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595009 1247908934 /nfs/dbraw/zinc/90/89/34/1247908934.db2.gz DSSNJAQBBKWKBB-HSFUPAIVSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642474 1247933067 /nfs/dbraw/zinc/93/30/67/1247933067.db2.gz LFVWDKLSWFBTRP-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642474 1247933073 /nfs/dbraw/zinc/93/30/73/1247933073.db2.gz LFVWDKLSWFBTRP-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642474 1247933080 /nfs/dbraw/zinc/93/30/80/1247933080.db2.gz LFVWDKLSWFBTRP-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3CC2)O1 ZINC000946642474 1247933085 /nfs/dbraw/zinc/93/30/85/1247933085.db2.gz LFVWDKLSWFBTRP-MTHXSQLBSA-N 2 1 365.518 0.912 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000976454811 1248219576 /nfs/dbraw/zinc/21/95/76/1248219576.db2.gz VLMNDQFOCGUBPC-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000976454811 1248219588 /nfs/dbraw/zinc/21/95/88/1248219588.db2.gz VLMNDQFOCGUBPC-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccc2c[nH+]cn21 ZINC000994844223 1250703738 /nfs/dbraw/zinc/70/37/38/1250703738.db2.gz DAGVHLMEVPLVKL-SJKOYZFVSA-N 2 1 371.441 0.302 20 0 FCADMP Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccc2c[nH+]cn21 ZINC000994844223 1250703751 /nfs/dbraw/zinc/70/37/51/1250703751.db2.gz DAGVHLMEVPLVKL-SJKOYZFVSA-N 2 1 371.441 0.302 20 0 FCADMP CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCC1 ZINC000994844215 1250704629 /nfs/dbraw/zinc/70/46/29/1250704629.db2.gz CWWDLAOPJOHAGJ-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCC1 ZINC000994844215 1250704640 /nfs/dbraw/zinc/70/46/40/1250704640.db2.gz CWWDLAOPJOHAGJ-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C(N)=O)CCOCC3)CC2)CC1 ZINC001328357272 1265537815 /nfs/dbraw/zinc/53/78/15/1265537815.db2.gz UBJZLMXYBYXLQD-UHFFFAOYSA-N 2 1 366.506 0.333 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000996315572 1251312376 /nfs/dbraw/zinc/31/23/76/1251312376.db2.gz TZRDGYLPWCUIQV-KSZLIROESA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)O1 ZINC000996714194 1251422432 /nfs/dbraw/zinc/42/24/32/1251422432.db2.gz AKXCJBSODVDIOO-RDTXWAMCSA-N 2 1 361.490 0.629 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)O1 ZINC000996714194 1251422435 /nfs/dbraw/zinc/42/24/35/1251422435.db2.gz AKXCJBSODVDIOO-RDTXWAMCSA-N 2 1 361.490 0.629 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000997006273 1251467339 /nfs/dbraw/zinc/46/73/39/1251467339.db2.gz ZPDNMADLAHZWJQ-MTSZKFMLSA-N 2 1 360.502 0.671 20 0 FCADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC000997860290 1251728448 /nfs/dbraw/zinc/72/84/48/1251728448.db2.gz OMYOEEWLFCTICE-CRAIPNDOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC000997860290 1251728460 /nfs/dbraw/zinc/72/84/60/1251728460.db2.gz OMYOEEWLFCTICE-CRAIPNDOSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)CC[N@@H+]1C ZINC000998126095 1251797448 /nfs/dbraw/zinc/79/74/48/1251797448.db2.gz UFFJLBKCTZSTRE-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)CC[N@H+]1C ZINC000998126095 1251797452 /nfs/dbraw/zinc/79/74/52/1251797452.db2.gz UFFJLBKCTZSTRE-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000998126095 1251797456 /nfs/dbraw/zinc/79/74/56/1251797456.db2.gz UFFJLBKCTZSTRE-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000998126095 1251797459 /nfs/dbraw/zinc/79/74/59/1251797459.db2.gz UFFJLBKCTZSTRE-GVDBMIGSSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)CC[N@@H+]1C ZINC000998462920 1251886908 /nfs/dbraw/zinc/88/69/08/1251886908.db2.gz GYBGLTJPEIXWBM-CXAGYDPISA-N 2 1 368.441 0.548 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)CC[N@H+]1C ZINC000998462920 1251886918 /nfs/dbraw/zinc/88/69/18/1251886918.db2.gz GYBGLTJPEIXWBM-CXAGYDPISA-N 2 1 368.441 0.548 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000998467116 1251889676 /nfs/dbraw/zinc/88/96/76/1251889676.db2.gz SJSWIAIAXCDGGE-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000998467116 1251889687 /nfs/dbraw/zinc/88/96/87/1251889687.db2.gz SJSWIAIAXCDGGE-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000998467116 1251889695 /nfs/dbraw/zinc/88/96/95/1251889695.db2.gz SJSWIAIAXCDGGE-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC000998630383 1251933362 /nfs/dbraw/zinc/93/33/62/1251933362.db2.gz KRPSREJRKYNTNW-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC000998630383 1251933366 /nfs/dbraw/zinc/93/33/66/1251933366.db2.gz KRPSREJRKYNTNW-NCOADZHNSA-N 2 1 359.474 0.781 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000998792839 1251967502 /nfs/dbraw/zinc/96/75/02/1251967502.db2.gz CGAGCPSGFPSQMM-SSHXOBKSSA-N 2 1 364.490 0.445 20 0 FCADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000998988587 1252016106 /nfs/dbraw/zinc/01/61/06/1252016106.db2.gz VFMJJYTVZAEFDA-WBTBYHMDSA-N 2 1 362.474 0.888 20 0 FCADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000998988587 1252016109 /nfs/dbraw/zinc/01/61/09/1252016109.db2.gz VFMJJYTVZAEFDA-WBTBYHMDSA-N 2 1 362.474 0.888 20 0 FCADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000998986411 1252016566 /nfs/dbraw/zinc/01/65/66/1252016566.db2.gz FVHYGWNMGNLSDY-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000998986411 1252016577 /nfs/dbraw/zinc/01/65/77/1252016577.db2.gz FVHYGWNMGNLSDY-LHUBUQBQSA-N 2 1 362.474 0.888 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000999711446 1252176795 /nfs/dbraw/zinc/17/67/95/1252176795.db2.gz LJIIHKHFZUUOEH-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002245293 1252487441 /nfs/dbraw/zinc/48/74/41/1252487441.db2.gz DDUQSKLKJOCWFX-GDBMZVCRSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002245293 1252487443 /nfs/dbraw/zinc/48/74/43/1252487443.db2.gz DDUQSKLKJOCWFX-GDBMZVCRSA-N 2 1 361.490 0.921 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002698883 1252646074 /nfs/dbraw/zinc/64/60/74/1252646074.db2.gz QGHPFIBOLOFRFQ-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002698883 1252646082 /nfs/dbraw/zinc/64/60/82/1252646082.db2.gz QGHPFIBOLOFRFQ-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001002790617 1252674467 /nfs/dbraw/zinc/67/44/67/1252674467.db2.gz NTQZCGBWOLWROO-HZMVEIRTSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC001002878040 1252725106 /nfs/dbraw/zinc/72/51/06/1252725106.db2.gz QWKACJJVORNEIK-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)O1 ZINC001003140810 1252789925 /nfs/dbraw/zinc/78/99/25/1252789925.db2.gz WIYGIKSNTMPFQL-RHSMWYFYSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)O1 ZINC001003140810 1252789929 /nfs/dbraw/zinc/78/99/29/1252789929.db2.gz WIYGIKSNTMPFQL-RHSMWYFYSA-N 2 1 362.474 0.185 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001518760453 1265678291 /nfs/dbraw/zinc/67/82/91/1265678291.db2.gz INEGNRJKBUGBJF-IRXDYDNUSA-N 2 1 355.527 0.278 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001519200619 1265707870 /nfs/dbraw/zinc/70/78/70/1265707870.db2.gz MTDVYYRJDHDFGW-QGZVFWFLSA-N 2 1 368.551 0.792 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001329204755 1265712430 /nfs/dbraw/zinc/71/24/30/1265712430.db2.gz LZCCITDEASGRHJ-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004303375 1253276833 /nfs/dbraw/zinc/27/68/33/1253276833.db2.gz QLRHWEIAVXHHQW-HZMVEIRTSA-N 2 1 360.502 0.815 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001004422204 1253320506 /nfs/dbraw/zinc/32/05/06/1253320506.db2.gz NQWNHLWBINCIFR-SZXPJGKVSA-N 2 1 371.485 0.961 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001005492230 1253565722 /nfs/dbraw/zinc/56/57/22/1253565722.db2.gz LJIIHKHFZUUOEH-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001519641839 1265742694 /nfs/dbraw/zinc/74/26/94/1265742694.db2.gz GMVQVIFJPUGETC-HNNXBMFYSA-N 2 1 354.495 0.855 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001519641839 1265742698 /nfs/dbraw/zinc/74/26/98/1265742698.db2.gz GMVQVIFJPUGETC-HNNXBMFYSA-N 2 1 354.495 0.855 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001519641839 1265742700 /nfs/dbraw/zinc/74/27/00/1265742700.db2.gz GMVQVIFJPUGETC-HNNXBMFYSA-N 2 1 354.495 0.855 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001519641839 1265742703 /nfs/dbraw/zinc/74/27/03/1265742703.db2.gz GMVQVIFJPUGETC-HNNXBMFYSA-N 2 1 354.495 0.855 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001022175165 1253802384 /nfs/dbraw/zinc/80/23/84/1253802384.db2.gz QTEHJQMCVHYFCJ-JKSUJKDBSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001022175147 1253802579 /nfs/dbraw/zinc/80/25/79/1253802579.db2.gz PWLAFDGTKFSEPH-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001022175147 1253802590 /nfs/dbraw/zinc/80/25/90/1253802590.db2.gz PWLAFDGTKFSEPH-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022423987 1253806932 /nfs/dbraw/zinc/80/69/32/1253806932.db2.gz MUTWDSSXGZITIF-YESZJQIVSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001027416177 1253853223 /nfs/dbraw/zinc/85/32/23/1253853223.db2.gz ASPNGIFEVUELMV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001027416177 1253853233 /nfs/dbraw/zinc/85/32/33/1253853233.db2.gz ASPNGIFEVUELMV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001027416177 1253853244 /nfs/dbraw/zinc/85/32/44/1253853244.db2.gz ASPNGIFEVUELMV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001027416177 1253853251 /nfs/dbraw/zinc/85/32/51/1253853251.db2.gz ASPNGIFEVUELMV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001329508982 1265773093 /nfs/dbraw/zinc/77/30/93/1265773093.db2.gz URMVIKNVRHXUKP-QGZVFWFLSA-N 2 1 360.458 0.404 20 0 FCADMP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588903 1253863562 /nfs/dbraw/zinc/86/35/62/1253863562.db2.gz MWSTYWBSFLMCCE-KSZLIROESA-N 2 1 358.486 0.740 20 0 FCADMP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588903 1253863565 /nfs/dbraw/zinc/86/35/65/1253863565.db2.gz MWSTYWBSFLMCCE-KSZLIROESA-N 2 1 358.486 0.740 20 0 FCADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588903 1253863567 /nfs/dbraw/zinc/86/35/67/1253863567.db2.gz MWSTYWBSFLMCCE-KSZLIROESA-N 2 1 358.486 0.740 20 0 FCADMP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588903 1253863570 /nfs/dbraw/zinc/86/35/70/1253863570.db2.gz MWSTYWBSFLMCCE-KSZLIROESA-N 2 1 358.486 0.740 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@H+]1C ZINC001031681154 1253886923 /nfs/dbraw/zinc/88/69/23/1253886923.db2.gz GRUUADNGHFUMIC-CZUORRHYSA-N 2 1 356.474 0.857 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001519903514 1265798063 /nfs/dbraw/zinc/79/80/63/1265798063.db2.gz ZJCCKSOKKRTUEB-QAPCUYQASA-N 2 1 367.538 0.563 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001034649845 1253998344 /nfs/dbraw/zinc/99/83/44/1253998344.db2.gz XJODMFAYRCIAHZ-ZQDZILKHSA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001034649738 1253998611 /nfs/dbraw/zinc/99/86/11/1253998611.db2.gz RXBCNWHIUMXQSG-LUKYLMHMSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCN4CCCC4=O)C3)CC2)CC[N@H+]1C ZINC001035708872 1254056541 /nfs/dbraw/zinc/05/65/41/1254056541.db2.gz LARFGPZHHYWJNH-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035710083 1254059069 /nfs/dbraw/zinc/05/90/69/1254059069.db2.gz IIPVBZHIHJSSOC-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035710083 1254059071 /nfs/dbraw/zinc/05/90/71/1254059071.db2.gz IIPVBZHIHJSSOC-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001329678463 1265811235 /nfs/dbraw/zinc/81/12/35/1265811235.db2.gz GYTJSRMIYHKBHQ-IWCQGFGOSA-N 2 1 366.506 0.317 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001061651360 1254198815 /nfs/dbraw/zinc/19/88/15/1254198815.db2.gz OAQNGFZHTZEDBJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001061651360 1254198818 /nfs/dbraw/zinc/19/88/18/1254198818.db2.gz OAQNGFZHTZEDBJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001061651360 1254198826 /nfs/dbraw/zinc/19/88/26/1254198826.db2.gz OAQNGFZHTZEDBJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001062240514 1254249743 /nfs/dbraw/zinc/24/97/43/1254249743.db2.gz ZGAZMONDNSGCAB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062262700 1254252440 /nfs/dbraw/zinc/25/24/40/1254252440.db2.gz DTWODUUTQWOVBD-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001062262700 1254252453 /nfs/dbraw/zinc/25/24/53/1254252453.db2.gz DTWODUUTQWOVBD-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062262700 1254252467 /nfs/dbraw/zinc/25/24/67/1254252467.db2.gz DTWODUUTQWOVBD-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062262700 1254252471 /nfs/dbraw/zinc/25/24/71/1254252471.db2.gz DTWODUUTQWOVBD-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C3(C[NH+](C)C)CC3)CCC2)O1 ZINC001063494334 1254350361 /nfs/dbraw/zinc/35/03/61/1254350361.db2.gz KUYIWJACBFBRDH-HUUCEWRRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C3(C[NH+](C)C)CC3)CCC2)O1 ZINC001063494334 1254350366 /nfs/dbraw/zinc/35/03/66/1254350366.db2.gz KUYIWJACBFBRDH-HUUCEWRRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496637 1254352038 /nfs/dbraw/zinc/35/20/38/1254352038.db2.gz CNODQKXJDGUAMT-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496637 1254352050 /nfs/dbraw/zinc/35/20/50/1254352050.db2.gz CNODQKXJDGUAMT-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496637 1254352064 /nfs/dbraw/zinc/35/20/64/1254352064.db2.gz CNODQKXJDGUAMT-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496637 1254352074 /nfs/dbraw/zinc/35/20/74/1254352074.db2.gz CNODQKXJDGUAMT-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC001063645876 1254367864 /nfs/dbraw/zinc/36/78/64/1254367864.db2.gz RFBALLYKIYHJGQ-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC001063645876 1254367875 /nfs/dbraw/zinc/36/78/75/1254367875.db2.gz RFBALLYKIYHJGQ-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001520192005 1265872976 /nfs/dbraw/zinc/87/29/76/1265872976.db2.gz PFVMOAJWWDUROG-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553891 1254679912 /nfs/dbraw/zinc/67/99/12/1254679912.db2.gz SQYSJQMPGHUHCG-KBAYOESNSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553891 1254679921 /nfs/dbraw/zinc/67/99/21/1254679921.db2.gz SQYSJQMPGHUHCG-KBAYOESNSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553891 1254679934 /nfs/dbraw/zinc/67/99/34/1254679934.db2.gz SQYSJQMPGHUHCG-KBAYOESNSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2O)C1 ZINC001077553891 1254679948 /nfs/dbraw/zinc/67/99/48/1254679948.db2.gz SQYSJQMPGHUHCG-KBAYOESNSA-N 2 1 363.506 0.512 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618428 1254785649 /nfs/dbraw/zinc/78/56/49/1254785649.db2.gz IBJXZCSPLKWSOG-QZTJIDSGSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618428 1254785655 /nfs/dbraw/zinc/78/56/55/1254785655.db2.gz IBJXZCSPLKWSOG-QZTJIDSGSA-N 2 1 361.486 0.877 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001077981709 1255143136 /nfs/dbraw/zinc/14/31/36/1255143136.db2.gz YLQVBLRRAFVHTA-KZNAEPCWSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001077981709 1255143141 /nfs/dbraw/zinc/14/31/41/1255143141.db2.gz YLQVBLRRAFVHTA-KZNAEPCWSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077981709 1255143146 /nfs/dbraw/zinc/14/31/46/1255143146.db2.gz YLQVBLRRAFVHTA-KZNAEPCWSA-N 2 1 363.506 0.699 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077981709 1255143153 /nfs/dbraw/zinc/14/31/53/1255143153.db2.gz YLQVBLRRAFVHTA-KZNAEPCWSA-N 2 1 363.506 0.699 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006220 1255162193 /nfs/dbraw/zinc/16/21/93/1255162193.db2.gz WLBLJOMWLSTXIU-IAOVAPTHSA-N 2 1 359.430 0.226 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006220 1255162196 /nfs/dbraw/zinc/16/21/96/1255162196.db2.gz WLBLJOMWLSTXIU-IAOVAPTHSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006220 1255162200 /nfs/dbraw/zinc/16/22/00/1255162200.db2.gz WLBLJOMWLSTXIU-IAOVAPTHSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006220 1255162206 /nfs/dbraw/zinc/16/22/06/1255162206.db2.gz WLBLJOMWLSTXIU-IAOVAPTHSA-N 2 1 359.430 0.226 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013032 1255168496 /nfs/dbraw/zinc/16/84/96/1255168496.db2.gz OACIYEADAFGATO-QZTJIDSGSA-N 2 1 366.465 0.992 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012252 1255168776 /nfs/dbraw/zinc/16/87/76/1255168776.db2.gz YVWJIZXHXKXBMR-IAGOWNOFSA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012252 1255168782 /nfs/dbraw/zinc/16/87/82/1255168782.db2.gz YVWJIZXHXKXBMR-IAGOWNOFSA-N 2 1 363.433 0.462 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001078018051 1255173811 /nfs/dbraw/zinc/17/38/11/1255173811.db2.gz LDKKLPPQKYNUHW-QGPMSJSTSA-N 2 1 362.474 0.882 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001078018051 1255173815 /nfs/dbraw/zinc/17/38/15/1255173815.db2.gz LDKKLPPQKYNUHW-QGPMSJSTSA-N 2 1 362.474 0.882 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175726 1255287943 /nfs/dbraw/zinc/28/79/43/1255287943.db2.gz JUSOQMPPJZYUJO-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175726 1255287948 /nfs/dbraw/zinc/28/79/48/1255287948.db2.gz JUSOQMPPJZYUJO-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175726 1255287952 /nfs/dbraw/zinc/28/79/52/1255287952.db2.gz JUSOQMPPJZYUJO-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078175726 1255287958 /nfs/dbraw/zinc/28/79/58/1255287958.db2.gz JUSOQMPPJZYUJO-RCCFBDPRSA-N 2 1 361.486 0.795 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175064 1255288493 /nfs/dbraw/zinc/28/84/93/1255288493.db2.gz VSXABJUPTAJLRY-KFKAGJAMSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175064 1255288496 /nfs/dbraw/zinc/28/84/96/1255288496.db2.gz VSXABJUPTAJLRY-KFKAGJAMSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]2O)C1 ZINC001078175064 1255288500 /nfs/dbraw/zinc/28/85/00/1255288500.db2.gz VSXABJUPTAJLRY-KFKAGJAMSA-N 2 1 359.470 0.372 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209986 1255324256 /nfs/dbraw/zinc/32/42/56/1255324256.db2.gz QCJFXOOGNKEAOM-GUDVDZBRSA-N 2 1 361.486 0.420 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209986 1255324262 /nfs/dbraw/zinc/32/42/62/1255324262.db2.gz QCJFXOOGNKEAOM-GUDVDZBRSA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209986 1255324269 /nfs/dbraw/zinc/32/42/69/1255324269.db2.gz QCJFXOOGNKEAOM-GUDVDZBRSA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@H]2O)C1 ZINC001078209986 1255324275 /nfs/dbraw/zinc/32/42/75/1255324275.db2.gz QCJFXOOGNKEAOM-GUDVDZBRSA-N 2 1 361.486 0.420 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222985 1255335114 /nfs/dbraw/zinc/33/51/14/1255335114.db2.gz ZUASXZCSNDZDPI-QXAKKESOSA-N 2 1 361.486 0.950 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078227445 1255342147 /nfs/dbraw/zinc/34/21/47/1255342147.db2.gz ZPOIGXSBOPWLTC-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccnn3C)C2)CC[N@H+]1C ZINC001078404235 1255409078 /nfs/dbraw/zinc/40/90/78/1255409078.db2.gz WCMUBDZWYGXYGH-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001079146743 1255458938 /nfs/dbraw/zinc/45/89/38/1255458938.db2.gz DXUWBAIEUJEVCC-GUDVDZBRSA-N 2 1 361.486 0.801 20 0 FCADMP CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001079146743 1255458943 /nfs/dbraw/zinc/45/89/43/1255458943.db2.gz DXUWBAIEUJEVCC-GUDVDZBRSA-N 2 1 361.486 0.801 20 0 FCADMP CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079146743 1255458952 /nfs/dbraw/zinc/45/89/52/1255458952.db2.gz DXUWBAIEUJEVCC-GUDVDZBRSA-N 2 1 361.486 0.801 20 0 FCADMP CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079146743 1255458957 /nfs/dbraw/zinc/45/89/57/1255458957.db2.gz DXUWBAIEUJEVCC-GUDVDZBRSA-N 2 1 361.486 0.801 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)C1 ZINC001079149793 1255460644 /nfs/dbraw/zinc/46/06/44/1255460644.db2.gz MBZCZWVYVXVWOT-RCCFBDPRSA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)C1 ZINC001079149793 1255460646 /nfs/dbraw/zinc/46/06/46/1255460646.db2.gz MBZCZWVYVXVWOT-RCCFBDPRSA-N 2 1 365.449 0.423 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079210008 1255473109 /nfs/dbraw/zinc/47/31/09/1255473109.db2.gz TULDLJCTIHBWOD-JKSUJKDBSA-N 2 1 359.405 0.400 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079302820 1255503225 /nfs/dbraw/zinc/50/32/25/1255503225.db2.gz LMHKWNOAIBQKLH-GOEBONIOSA-N 2 1 359.405 0.400 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001079710315 1255582268 /nfs/dbraw/zinc/58/22/68/1255582268.db2.gz CUOUWROKLXBCHR-KBRIMQKVSA-N 2 1 359.474 0.764 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001079710315 1255582277 /nfs/dbraw/zinc/58/22/77/1255582277.db2.gz CUOUWROKLXBCHR-KBRIMQKVSA-N 2 1 359.474 0.764 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846590 1255631961 /nfs/dbraw/zinc/63/19/61/1255631961.db2.gz UNSAMMXNQYKYJI-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846590 1255631965 /nfs/dbraw/zinc/63/19/65/1255631965.db2.gz UNSAMMXNQYKYJI-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001080015605 1255708706 /nfs/dbraw/zinc/70/87/06/1255708706.db2.gz QNPKIRPXHBXYHN-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001080015605 1255708709 /nfs/dbraw/zinc/70/87/09/1255708709.db2.gz QNPKIRPXHBXYHN-GDBMZVCRSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161270 1255766153 /nfs/dbraw/zinc/76/61/53/1255766153.db2.gz UPESQAPYNPTHKP-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161270 1255766159 /nfs/dbraw/zinc/76/61/59/1255766159.db2.gz UPESQAPYNPTHKP-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161270 1255766164 /nfs/dbraw/zinc/76/61/64/1255766164.db2.gz UPESQAPYNPTHKP-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161270 1255766170 /nfs/dbraw/zinc/76/61/70/1255766170.db2.gz UPESQAPYNPTHKP-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164607 1255769039 /nfs/dbraw/zinc/76/90/39/1255769039.db2.gz JNDHZYWQLNUIAO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164607 1255769047 /nfs/dbraw/zinc/76/90/47/1255769047.db2.gz JNDHZYWQLNUIAO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164607 1255769051 /nfs/dbraw/zinc/76/90/51/1255769051.db2.gz JNDHZYWQLNUIAO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164607 1255769057 /nfs/dbraw/zinc/76/90/57/1255769057.db2.gz JNDHZYWQLNUIAO-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080179088 1255773591 /nfs/dbraw/zinc/77/35/91/1255773591.db2.gz CPDOJUHZNZSGDG-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080179088 1255773599 /nfs/dbraw/zinc/77/35/99/1255773599.db2.gz CPDOJUHZNZSGDG-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449546 1255894138 /nfs/dbraw/zinc/89/41/38/1255894138.db2.gz OSVPRUOCDIROEG-SPYBWZPUSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449546 1255894143 /nfs/dbraw/zinc/89/41/43/1255894143.db2.gz OSVPRUOCDIROEG-SPYBWZPUSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080449546 1255894150 /nfs/dbraw/zinc/89/41/50/1255894150.db2.gz OSVPRUOCDIROEG-SPYBWZPUSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080449546 1255894160 /nfs/dbraw/zinc/89/41/60/1255894160.db2.gz OSVPRUOCDIROEG-SPYBWZPUSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080456156 1255896408 /nfs/dbraw/zinc/89/64/08/1255896408.db2.gz QSNVLCHKIZRQRZ-CRAIPNDOSA-N 2 1 360.502 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080456156 1255896417 /nfs/dbraw/zinc/89/64/17/1255896417.db2.gz QSNVLCHKIZRQRZ-CRAIPNDOSA-N 2 1 360.502 0.929 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080482886 1255910494 /nfs/dbraw/zinc/91/04/94/1255910494.db2.gz REYBQEALHAORBJ-NRSFXHEJSA-N 2 1 358.486 0.514 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080482886 1255910499 /nfs/dbraw/zinc/91/04/99/1255910499.db2.gz REYBQEALHAORBJ-NRSFXHEJSA-N 2 1 358.486 0.514 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080482886 1255910502 /nfs/dbraw/zinc/91/05/02/1255910502.db2.gz REYBQEALHAORBJ-NRSFXHEJSA-N 2 1 358.486 0.514 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080482886 1255910508 /nfs/dbraw/zinc/91/05/08/1255910508.db2.gz REYBQEALHAORBJ-NRSFXHEJSA-N 2 1 358.486 0.514 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979313 1256123390 /nfs/dbraw/zinc/12/33/90/1256123390.db2.gz KQFOTXLCHNSUPF-XYPHTWIQSA-N 2 1 364.494 0.052 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979313 1256123399 /nfs/dbraw/zinc/12/33/99/1256123399.db2.gz KQFOTXLCHNSUPF-XYPHTWIQSA-N 2 1 364.494 0.052 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979313 1256123413 /nfs/dbraw/zinc/12/34/13/1256123413.db2.gz KQFOTXLCHNSUPF-XYPHTWIQSA-N 2 1 364.494 0.052 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979313 1256123420 /nfs/dbraw/zinc/12/34/20/1256123420.db2.gz KQFOTXLCHNSUPF-XYPHTWIQSA-N 2 1 364.494 0.052 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081127139 1256189642 /nfs/dbraw/zinc/18/96/42/1256189642.db2.gz YEBJWUWKXIRDPS-FGTMMUONSA-N 2 1 358.486 0.930 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081226715 1256211543 /nfs/dbraw/zinc/21/15/43/1256211543.db2.gz GXKIOPXDKFLIQT-DLBZAZTESA-N 2 1 369.473 0.390 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081669986 1256329038 /nfs/dbraw/zinc/32/90/38/1256329038.db2.gz ABEBVIMEGMHPOA-KZNAEPCWSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081669986 1256329043 /nfs/dbraw/zinc/32/90/43/1256329043.db2.gz ABEBVIMEGMHPOA-KZNAEPCWSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691747 1256336601 /nfs/dbraw/zinc/33/66/01/1256336601.db2.gz OAEQUPUQQXXQKA-BASLNEPJSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691747 1256336604 /nfs/dbraw/zinc/33/66/04/1256336604.db2.gz OAEQUPUQQXXQKA-BASLNEPJSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691747 1256336610 /nfs/dbraw/zinc/33/66/10/1256336610.db2.gz OAEQUPUQQXXQKA-BASLNEPJSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691747 1256336614 /nfs/dbraw/zinc/33/66/14/1256336614.db2.gz OAEQUPUQQXXQKA-BASLNEPJSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947235 1256467617 /nfs/dbraw/zinc/46/76/17/1256467617.db2.gz RRMZYCPSWHNEDH-IAGOWNOFSA-N 2 1 371.441 0.386 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947235 1256467620 /nfs/dbraw/zinc/46/76/20/1256467620.db2.gz RRMZYCPSWHNEDH-IAGOWNOFSA-N 2 1 371.441 0.386 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095808 1256532477 /nfs/dbraw/zinc/53/24/77/1256532477.db2.gz JMZFQYRHTKNRKA-QZTJIDSGSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082134041 1256552991 /nfs/dbraw/zinc/55/29/91/1256552991.db2.gz YMSZJMPWKUMGQR-CGTJXYLNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082134041 1256552993 /nfs/dbraw/zinc/55/29/93/1256552993.db2.gz YMSZJMPWKUMGQR-CGTJXYLNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082134041 1256552999 /nfs/dbraw/zinc/55/29/99/1256552999.db2.gz YMSZJMPWKUMGQR-CGTJXYLNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082134041 1256553008 /nfs/dbraw/zinc/55/30/08/1256553008.db2.gz YMSZJMPWKUMGQR-CGTJXYLNSA-N 2 1 363.506 0.800 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279410 1256629049 /nfs/dbraw/zinc/62/90/49/1256629049.db2.gz ZRVYBLCWZYWDBA-KBRIMQKVSA-N 2 1 359.430 0.731 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279410 1256629055 /nfs/dbraw/zinc/62/90/55/1256629055.db2.gz ZRVYBLCWZYWDBA-KBRIMQKVSA-N 2 1 359.430 0.731 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326482 1256666922 /nfs/dbraw/zinc/66/69/22/1256666922.db2.gz FNUHQHBERWFYAX-IPMKNSEASA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326482 1256666926 /nfs/dbraw/zinc/66/69/26/1256666926.db2.gz FNUHQHBERWFYAX-IPMKNSEASA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326482 1256666931 /nfs/dbraw/zinc/66/69/31/1256666931.db2.gz FNUHQHBERWFYAX-IPMKNSEASA-N 2 1 361.486 0.836 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328597 1256670835 /nfs/dbraw/zinc/67/08/35/1256670835.db2.gz BIVIPEPDBOGKHO-KZNAEPCWSA-N 2 1 365.518 0.839 20 0 FCADMP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515768 1256802057 /nfs/dbraw/zinc/80/20/57/1256802057.db2.gz XYPFYMMOVISTQM-HYVNUMGLSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082557952 1256853424 /nfs/dbraw/zinc/85/34/24/1256853424.db2.gz QMIIHWHTGAXMHV-NXHRZFHOSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082558157 1256854497 /nfs/dbraw/zinc/85/44/97/1256854497.db2.gz BNLMOFYWZBRJBN-XYPHTWIQSA-N 2 1 363.462 0.650 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082558157 1256854508 /nfs/dbraw/zinc/85/45/08/1256854508.db2.gz BNLMOFYWZBRJBN-XYPHTWIQSA-N 2 1 363.462 0.650 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082559611 1256858592 /nfs/dbraw/zinc/85/85/92/1256858592.db2.gz KIVDFMHDONBXEV-FVQBIDKESA-N 2 1 361.494 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082559611 1256858606 /nfs/dbraw/zinc/85/86/06/1256858606.db2.gz KIVDFMHDONBXEV-FVQBIDKESA-N 2 1 361.494 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082561922 1256859487 /nfs/dbraw/zinc/85/94/87/1256859487.db2.gz ZPYZEODROOZBQE-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001082561923 1256859874 /nfs/dbraw/zinc/85/98/74/1256859874.db2.gz ZTXSZLLERXIKNS-GDBMZVCRSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001082561923 1256859885 /nfs/dbraw/zinc/85/98/85/1256859885.db2.gz ZTXSZLLERXIKNS-GDBMZVCRSA-N 2 1 363.510 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082562105 1256861251 /nfs/dbraw/zinc/86/12/51/1256861251.db2.gz OCWRLNLXTVKHLZ-TZMCWYRMSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082562105 1256861256 /nfs/dbraw/zinc/86/12/56/1256861256.db2.gz OCWRLNLXTVKHLZ-TZMCWYRMSA-N 2 1 370.448 0.964 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082592671 1256906170 /nfs/dbraw/zinc/90/61/70/1256906170.db2.gz RHBSFDZYDZKMKL-CZUORRHYSA-N 2 1 365.478 0.673 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082617528 1256928507 /nfs/dbraw/zinc/92/85/07/1256928507.db2.gz ZSUZRDDTCQSJAK-UKRRQHHQSA-N 2 1 359.478 0.573 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)n1C ZINC001082617496 1256928873 /nfs/dbraw/zinc/92/88/73/1256928873.db2.gz XTIWMFISMQHCEC-HUUCEWRRSA-N 2 1 360.506 0.942 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082653357 1256956832 /nfs/dbraw/zinc/95/68/32/1256956832.db2.gz HALNTWCKGDGUHU-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082653478 1256956938 /nfs/dbraw/zinc/95/69/38/1256956938.db2.gz MPTYNPWVAOWGEL-CQNSDRIQSA-N 2 1 356.470 0.881 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)ncn1 ZINC001082653429 1256958540 /nfs/dbraw/zinc/95/85/40/1256958540.db2.gz KJUOGPABPCCBIS-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653650 1256959150 /nfs/dbraw/zinc/95/91/50/1256959150.db2.gz WHQPBMKYZICGQY-BVVDNFFRSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653650 1256959154 /nfs/dbraw/zinc/95/91/54/1256959154.db2.gz WHQPBMKYZICGQY-BVVDNFFRSA-N 2 1 371.485 0.585 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001082703205 1256994860 /nfs/dbraw/zinc/99/48/60/1256994860.db2.gz DAUCHOFXOVRLLF-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001082703205 1256994883 /nfs/dbraw/zinc/99/48/83/1256994883.db2.gz DAUCHOFXOVRLLF-NXHRZFHOSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705555 1256995976 /nfs/dbraw/zinc/99/59/76/1256995976.db2.gz LBERTRPRRKVYOW-FXUDXRNXSA-N 2 1 363.510 0.921 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705555 1256995983 /nfs/dbraw/zinc/99/59/83/1256995983.db2.gz LBERTRPRRKVYOW-FXUDXRNXSA-N 2 1 363.510 0.921 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082719716 1257010590 /nfs/dbraw/zinc/01/05/90/1257010590.db2.gz GJIACNUSFDKHBX-XJKCOSOUSA-N 2 1 361.494 0.847 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082743064 1257022269 /nfs/dbraw/zinc/02/22/69/1257022269.db2.gz FUJBUUFKTAYLEI-DDUZABMNSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082743064 1257022276 /nfs/dbraw/zinc/02/22/76/1257022276.db2.gz FUJBUUFKTAYLEI-DDUZABMNSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082742627 1257022628 /nfs/dbraw/zinc/02/26/28/1257022628.db2.gz MQVSNRKPKBBRTH-PBFPGSCMSA-N 2 1 367.473 0.359 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082742627 1257022635 /nfs/dbraw/zinc/02/26/35/1257022635.db2.gz MQVSNRKPKBBRTH-PBFPGSCMSA-N 2 1 367.473 0.359 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001082743375 1257023386 /nfs/dbraw/zinc/02/33/86/1257023386.db2.gz XEDPRACRLYSIBP-HUUCEWRRSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001082743375 1257023392 /nfs/dbraw/zinc/02/33/92/1257023392.db2.gz XEDPRACRLYSIBP-HUUCEWRRSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082742474 1257024115 /nfs/dbraw/zinc/02/41/15/1257024115.db2.gz HBLMFZJDBAAPGK-HBUWYVDXSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082742474 1257024122 /nfs/dbraw/zinc/02/41/22/1257024122.db2.gz HBLMFZJDBAAPGK-HBUWYVDXSA-N 2 1 366.485 0.964 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)c1 ZINC001082808005 1257066514 /nfs/dbraw/zinc/06/65/14/1257066514.db2.gz PFCJIKZBTVOOCW-CRAIPNDOSA-N 2 1 362.474 0.749 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082828041 1257086414 /nfs/dbraw/zinc/08/64/14/1257086414.db2.gz OLLZLZPSTCMYAB-RHSMWYFYSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082861997 1257113419 /nfs/dbraw/zinc/11/34/19/1257113419.db2.gz VDIDDNAHOPPAIS-HZSPNIEDSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082861997 1257113422 /nfs/dbraw/zinc/11/34/22/1257113422.db2.gz VDIDDNAHOPPAIS-HZSPNIEDSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082921353 1257145835 /nfs/dbraw/zinc/14/58/35/1257145835.db2.gz GORILOQSDQEEOM-NVXWUHKLSA-N 2 1 369.473 0.695 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)C1 ZINC001082933708 1257154456 /nfs/dbraw/zinc/15/44/56/1257154456.db2.gz GMEISVCSSSWTIF-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)C1 ZINC001082933708 1257154457 /nfs/dbraw/zinc/15/44/57/1257154457.db2.gz GMEISVCSSSWTIF-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)C1 ZINC001082934703 1257156238 /nfs/dbraw/zinc/15/62/38/1257156238.db2.gz VUBTTXXMAQLPSK-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)C1 ZINC001082934703 1257156240 /nfs/dbraw/zinc/15/62/40/1257156240.db2.gz VUBTTXXMAQLPSK-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1c(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)ccc2c[nH+]cn21 ZINC001083126363 1257364871 /nfs/dbraw/zinc/36/48/71/1257364871.db2.gz LSTSSLUHIZFWCP-YESZJQIVSA-N 2 1 369.425 0.056 20 0 FCADMP Cc1c(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)ccc2c[nH+]cn21 ZINC001083126363 1257364880 /nfs/dbraw/zinc/36/48/80/1257364880.db2.gz LSTSSLUHIZFWCP-YESZJQIVSA-N 2 1 369.425 0.056 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001083750044 1257488798 /nfs/dbraw/zinc/48/87/98/1257488798.db2.gz CZQUYDBGMLTCOO-KURKYZTESA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001083750044 1257488805 /nfs/dbraw/zinc/48/88/05/1257488805.db2.gz CZQUYDBGMLTCOO-KURKYZTESA-N 2 1 365.449 0.362 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001083750301 1257489579 /nfs/dbraw/zinc/48/95/79/1257489579.db2.gz OQEGABJFJZEQCN-MOPGFXCFSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001083750301 1257489581 /nfs/dbraw/zinc/48/95/81/1257489581.db2.gz OQEGABJFJZEQCN-MOPGFXCFSA-N 2 1 361.486 0.877 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778671 1257518479 /nfs/dbraw/zinc/51/84/79/1257518479.db2.gz UPNZRDSMLHFPNO-LZQZEXGQSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778671 1257518484 /nfs/dbraw/zinc/51/84/84/1257518484.db2.gz UPNZRDSMLHFPNO-LZQZEXGQSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778671 1257518492 /nfs/dbraw/zinc/51/84/92/1257518492.db2.gz UPNZRDSMLHFPNO-LZQZEXGQSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778671 1257518499 /nfs/dbraw/zinc/51/84/99/1257518499.db2.gz UPNZRDSMLHFPNO-LZQZEXGQSA-N 2 1 360.502 0.898 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083781266 1257526237 /nfs/dbraw/zinc/52/62/37/1257526237.db2.gz ABRYGGKUZMSBRY-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083781266 1257526241 /nfs/dbraw/zinc/52/62/41/1257526241.db2.gz ABRYGGKUZMSBRY-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083781266 1257526244 /nfs/dbraw/zinc/52/62/44/1257526244.db2.gz ABRYGGKUZMSBRY-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)c1 ZINC001083781266 1257526249 /nfs/dbraw/zinc/52/62/49/1257526249.db2.gz ABRYGGKUZMSBRY-UHOSZYNNSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2O)cn1 ZINC001083851167 1257609079 /nfs/dbraw/zinc/60/90/79/1257609079.db2.gz QHGZQTMMLAMNLV-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001521502804 1266128736 /nfs/dbraw/zinc/12/87/36/1266128736.db2.gz BNDYZPYEHIJOJW-HXUWFJFHSA-N 2 1 360.502 0.772 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896002 1257671939 /nfs/dbraw/zinc/67/19/39/1257671939.db2.gz QDPHMZLVQJTJHU-QGTPRVQTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896002 1257671945 /nfs/dbraw/zinc/67/19/45/1257671945.db2.gz QDPHMZLVQJTJHU-QGTPRVQTSA-N 2 1 371.441 0.469 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001083953434 1257741866 /nfs/dbraw/zinc/74/18/66/1257741866.db2.gz SMRPFCGWCKDLOB-UHOSZYNNSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001083953434 1257741875 /nfs/dbraw/zinc/74/18/75/1257741875.db2.gz SMRPFCGWCKDLOB-UHOSZYNNSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001083953434 1257741887 /nfs/dbraw/zinc/74/18/87/1257741887.db2.gz SMRPFCGWCKDLOB-UHOSZYNNSA-N 2 1 360.502 0.756 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083953585 1257741968 /nfs/dbraw/zinc/74/19/68/1257741968.db2.gz XXGZVZBIRLPUOE-QRVBRYPASA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083953585 1257741974 /nfs/dbraw/zinc/74/19/74/1257741974.db2.gz XXGZVZBIRLPUOE-QRVBRYPASA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083953585 1257741978 /nfs/dbraw/zinc/74/19/78/1257741978.db2.gz XXGZVZBIRLPUOE-QRVBRYPASA-N 2 1 361.486 0.836 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054170 1257865361 /nfs/dbraw/zinc/86/53/61/1257865361.db2.gz ZCISQDDUPRGQCA-NXHRZFHOSA-N 2 1 370.453 0.955 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054170 1257865366 /nfs/dbraw/zinc/86/53/66/1257865366.db2.gz ZCISQDDUPRGQCA-NXHRZFHOSA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054170 1257865373 /nfs/dbraw/zinc/86/53/73/1257865373.db2.gz ZCISQDDUPRGQCA-NXHRZFHOSA-N 2 1 370.453 0.955 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2O)C1 ZINC001084054170 1257865381 /nfs/dbraw/zinc/86/53/81/1257865381.db2.gz ZCISQDDUPRGQCA-NXHRZFHOSA-N 2 1 370.453 0.955 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001084060053 1257879891 /nfs/dbraw/zinc/87/98/91/1257879891.db2.gz FIPAMOABJGNGNN-MSOLQXFVSA-N 2 1 370.453 0.530 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001084060053 1257879904 /nfs/dbraw/zinc/87/99/04/1257879904.db2.gz FIPAMOABJGNGNN-MSOLQXFVSA-N 2 1 370.453 0.530 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084347587 1258040409 /nfs/dbraw/zinc/04/04/09/1258040409.db2.gz WXNJHSMNTHHKGV-KZNAEPCWSA-N 2 1 360.502 0.483 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001084357313 1258045950 /nfs/dbraw/zinc/04/59/50/1258045950.db2.gz UIPKUQMTFOCIGL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001084357313 1258045956 /nfs/dbraw/zinc/04/59/56/1258045956.db2.gz UIPKUQMTFOCIGL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001084357313 1258045967 /nfs/dbraw/zinc/04/59/67/1258045967.db2.gz UIPKUQMTFOCIGL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084354654 1258047553 /nfs/dbraw/zinc/04/75/53/1258047553.db2.gz PMSMCMNERATXFH-BNEJOLLZSA-N 2 1 360.506 0.768 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084354654 1258047557 /nfs/dbraw/zinc/04/75/57/1258047557.db2.gz PMSMCMNERATXFH-BNEJOLLZSA-N 2 1 360.506 0.768 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084354654 1258047561 /nfs/dbraw/zinc/04/75/61/1258047561.db2.gz PMSMCMNERATXFH-BNEJOLLZSA-N 2 1 360.506 0.768 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409718 1258088807 /nfs/dbraw/zinc/08/88/07/1258088807.db2.gz FOBUKQGBCBJCPA-BPQIPLTHSA-N 2 1 361.490 0.261 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409718 1258088813 /nfs/dbraw/zinc/08/88/13/1258088813.db2.gz FOBUKQGBCBJCPA-BPQIPLTHSA-N 2 1 361.490 0.261 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001084409718 1258088818 /nfs/dbraw/zinc/08/88/18/1258088818.db2.gz FOBUKQGBCBJCPA-BPQIPLTHSA-N 2 1 361.490 0.261 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484501 1258128678 /nfs/dbraw/zinc/12/86/78/1258128678.db2.gz YVYUSBDDWHMANF-HZPDHXFCSA-N 2 1 361.490 0.173 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484501 1258128681 /nfs/dbraw/zinc/12/86/81/1258128681.db2.gz YVYUSBDDWHMANF-HZPDHXFCSA-N 2 1 361.490 0.173 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484252 1258128783 /nfs/dbraw/zinc/12/87/83/1258128783.db2.gz LNRNRLDSSHZDHX-BRWVUGGUSA-N 2 1 370.501 0.927 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001084751959 1258289773 /nfs/dbraw/zinc/28/97/73/1258289773.db2.gz LKQITNPHBALYLD-QZTJIDSGSA-N 2 1 360.506 0.931 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775762 1258317180 /nfs/dbraw/zinc/31/71/80/1258317180.db2.gz TVHAQDSJQOWRGV-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775762 1258317191 /nfs/dbraw/zinc/31/71/91/1258317191.db2.gz TVHAQDSJQOWRGV-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775762 1258317200 /nfs/dbraw/zinc/31/72/00/1258317200.db2.gz TVHAQDSJQOWRGV-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778280 1258320490 /nfs/dbraw/zinc/32/04/90/1258320490.db2.gz OJONMVPBTMFLDW-OWCLPIDISA-N 2 1 356.474 0.394 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)[NH+]1CCCC1 ZINC001084853136 1258401527 /nfs/dbraw/zinc/40/15/27/1258401527.db2.gz LTPNAXCQFMZHCH-KZNAEPCWSA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21)[NH+]1CCCC1 ZINC001084853136 1258401529 /nfs/dbraw/zinc/40/15/29/1258401529.db2.gz LTPNAXCQFMZHCH-KZNAEPCWSA-N 2 1 360.506 0.931 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084852901 1258401668 /nfs/dbraw/zinc/40/16/68/1258401668.db2.gz RULNYLRJZXJOHF-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084852901 1258401671 /nfs/dbraw/zinc/40/16/71/1258401671.db2.gz RULNYLRJZXJOHF-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084852901 1258401674 /nfs/dbraw/zinc/40/16/74/1258401674.db2.gz RULNYLRJZXJOHF-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084852901 1258401676 /nfs/dbraw/zinc/40/16/76/1258401676.db2.gz RULNYLRJZXJOHF-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1)C1CC1 ZINC001084957930 1258469690 /nfs/dbraw/zinc/46/96/90/1258469690.db2.gz FCRBJQCDBMEQKR-HHXXYDBFSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cccn4)[C@H]3C2)O1 ZINC001084969894 1258482474 /nfs/dbraw/zinc/48/24/74/1258482474.db2.gz DAPVGAWDTFFGNL-ZJPYXAASSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cccn4)[C@H]3C2)O1 ZINC001084969894 1258482477 /nfs/dbraw/zinc/48/24/77/1258482477.db2.gz DAPVGAWDTFFGNL-ZJPYXAASSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCn4cccn4)[C@H]3C2)O1 ZINC001084969894 1258482482 /nfs/dbraw/zinc/48/24/82/1258482482.db2.gz DAPVGAWDTFFGNL-ZJPYXAASSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCn4cccn4)[C@H]3C2)O1 ZINC001084969894 1258482484 /nfs/dbraw/zinc/48/24/84/1258482484.db2.gz DAPVGAWDTFFGNL-ZJPYXAASSA-N 2 1 361.490 0.525 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC001331306916 1266188906 /nfs/dbraw/zinc/18/89/06/1266188906.db2.gz ZXRNCOGMKBSYOF-CGTJXYLNSA-N 2 1 372.469 0.331 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC001331306916 1266188910 /nfs/dbraw/zinc/18/89/10/1266188910.db2.gz ZXRNCOGMKBSYOF-CGTJXYLNSA-N 2 1 372.469 0.331 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21)C1CC1 ZINC001085022345 1258529210 /nfs/dbraw/zinc/52/92/10/1258529210.db2.gz XNLZDJFXLSUHMF-QAPCUYQASA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085159133 1258611392 /nfs/dbraw/zinc/61/13/92/1258611392.db2.gz IXGFPQLRXLYJMX-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)C1 ZINC001085159133 1258611400 /nfs/dbraw/zinc/61/14/00/1258611400.db2.gz IXGFPQLRXLYJMX-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086734781 1258632951 /nfs/dbraw/zinc/63/29/51/1258632951.db2.gz SADJTHKQJHYSGD-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086734782 1258633304 /nfs/dbraw/zinc/63/33/04/1258633304.db2.gz SADJTHKQJHYSGD-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170056 1258690851 /nfs/dbraw/zinc/69/08/51/1258690851.db2.gz CPDJQZCDXKWBTF-BBWFWOEESA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170056 1258690855 /nfs/dbraw/zinc/69/08/55/1258690855.db2.gz CPDJQZCDXKWBTF-BBWFWOEESA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001088170056 1258690859 /nfs/dbraw/zinc/69/08/59/1258690859.db2.gz CPDJQZCDXKWBTF-BBWFWOEESA-N 2 1 362.518 0.729 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)n1 ZINC001088171773 1258691368 /nfs/dbraw/zinc/69/13/68/1258691368.db2.gz GIJPKAAYVLGMOB-CVEARBPZSA-N 2 1 371.485 0.861 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC4CC4)nn3)C2)O1 ZINC001089588670 1258760545 /nfs/dbraw/zinc/76/05/45/1258760545.db2.gz PVQUYGXTAWCDDO-XOKHGSTOSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CC4CC4)nn3)C2)O1 ZINC001089588670 1258760553 /nfs/dbraw/zinc/76/05/53/1258760553.db2.gz PVQUYGXTAWCDDO-XOKHGSTOSA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721266 1258817334 /nfs/dbraw/zinc/81/73/34/1258817334.db2.gz KCBHMFHRCKCKFV-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP [NH3+]C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427626 1266214770 /nfs/dbraw/zinc/21/47/70/1266214770.db2.gz VFRDFHOMJLUZTB-RTBURBONSA-N 2 1 360.502 0.642 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828842 1258858212 /nfs/dbraw/zinc/85/82/12/1258858212.db2.gz SDFJETQECJKWLQ-UKRRQHHQSA-N 2 1 353.430 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828842 1258858217 /nfs/dbraw/zinc/85/82/17/1258858217.db2.gz SDFJETQECJKWLQ-UKRRQHHQSA-N 2 1 353.430 0.961 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663214 1258935997 /nfs/dbraw/zinc/93/59/97/1258935997.db2.gz WUUJQOKDEAINIP-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)C1 ZINC001106666826 1258937212 /nfs/dbraw/zinc/93/72/12/1258937212.db2.gz WYIYIWFRKQREHL-RRFJBIMHSA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)C1 ZINC001106666825 1258937247 /nfs/dbraw/zinc/93/72/47/1258937247.db2.gz WYIYIWFRKQREHL-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106715956 1258946175 /nfs/dbraw/zinc/94/61/75/1258946175.db2.gz QXDQIKFGRDHIQH-HUUCEWRRSA-N 2 1 361.490 0.969 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767540 1258958313 /nfs/dbraw/zinc/95/83/13/1258958313.db2.gz HIEVRMVKVSEFLE-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106765658 1258958376 /nfs/dbraw/zinc/95/83/76/1258958376.db2.gz NYKNWGRXJMQWCU-BRWVUGGUSA-N 2 1 366.506 0.062 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766162 1258958580 /nfs/dbraw/zinc/95/85/80/1258958580.db2.gz BZFNNVAFCZTUOM-IAGOWNOFSA-N 2 1 368.522 0.260 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106775668 1258960762 /nfs/dbraw/zinc/96/07/62/1258960762.db2.gz XKNINPFGPLSIPB-HZPDHXFCSA-N 2 1 365.526 0.906 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839669 1258974182 /nfs/dbraw/zinc/97/41/82/1258974182.db2.gz NFRWICUPCYUCQI-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1 ZINC001106903660 1258993200 /nfs/dbraw/zinc/99/32/00/1258993200.db2.gz FIMAVBOHRJCENZ-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C)C1CC1 ZINC001106986968 1259011427 /nfs/dbraw/zinc/01/14/27/1259011427.db2.gz LUGPUAWAPODNMS-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009696 1259016834 /nfs/dbraw/zinc/01/68/34/1259016834.db2.gz WMFNUNAUPNPTIN-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009696 1259016839 /nfs/dbraw/zinc/01/68/39/1259016839.db2.gz WMFNUNAUPNPTIN-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074522 1259027995 /nfs/dbraw/zinc/02/79/95/1259027995.db2.gz BFWZBJBWAXXXFO-QRQLOZEOSA-N 2 1 363.502 0.810 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074522 1259028001 /nfs/dbraw/zinc/02/80/01/1259028001.db2.gz BFWZBJBWAXXXFO-QRQLOZEOSA-N 2 1 363.502 0.810 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530588 1259109545 /nfs/dbraw/zinc/10/95/45/1259109545.db2.gz AUJNMIWSLBXIQD-VQIMIIECSA-N 2 1 368.522 0.452 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579141 1259123711 /nfs/dbraw/zinc/12/37/11/1259123711.db2.gz UVSGMFSXFPGKHN-VQIMIIECSA-N 2 1 366.506 0.158 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579141 1259123713 /nfs/dbraw/zinc/12/37/13/1259123713.db2.gz UVSGMFSXFPGKHN-VQIMIIECSA-N 2 1 366.506 0.158 20 0 FCADMP Cc1nc[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107621641 1259135200 /nfs/dbraw/zinc/13/52/00/1259135200.db2.gz TYKUVSGVVCNJEH-SJLPKXTDSA-N 2 1 357.462 0.950 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632022 1259139883 /nfs/dbraw/zinc/13/98/83/1259139883.db2.gz MJFKROTZCXVCGR-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632022 1259139885 /nfs/dbraw/zinc/13/98/85/1259139885.db2.gz MJFKROTZCXVCGR-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCNC(=O)C2CC2)CC3)C1 ZINC001107632022 1259139890 /nfs/dbraw/zinc/13/98/90/1259139890.db2.gz MJFKROTZCXVCGR-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCN1CCNC1=O)CC2 ZINC001107646712 1259142664 /nfs/dbraw/zinc/14/26/64/1259142664.db2.gz ROQONNQRSIRLSX-VQIMIIECSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107646712 1259142667 /nfs/dbraw/zinc/14/26/67/1259142667.db2.gz ROQONNQRSIRLSX-VQIMIIECSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107646712 1259142670 /nfs/dbraw/zinc/14/26/70/1259142670.db2.gz ROQONNQRSIRLSX-VQIMIIECSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CC3CCOCC3)CCO2)O1 ZINC001108023434 1259151287 /nfs/dbraw/zinc/15/12/87/1259151287.db2.gz BMGCZURWMJHPJB-SUMDDJOVSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CC3CCOCC3)CCO2)O1 ZINC001108023434 1259151292 /nfs/dbraw/zinc/15/12/92/1259151292.db2.gz BMGCZURWMJHPJB-SUMDDJOVSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CC3CCOCC3)CCO2)O1 ZINC001108023434 1259151295 /nfs/dbraw/zinc/15/12/95/1259151295.db2.gz BMGCZURWMJHPJB-SUMDDJOVSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CC3CCOCC3)CCO2)O1 ZINC001108023434 1259151298 /nfs/dbraw/zinc/15/12/98/1259151298.db2.gz BMGCZURWMJHPJB-SUMDDJOVSA-N 2 1 369.506 0.339 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCOC)C3)C2)CC[N@@H+]1C ZINC001108546198 1259157346 /nfs/dbraw/zinc/15/73/46/1259157346.db2.gz QEKSKCXRGIRYHH-BHYGNILZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCOC)C3)C2)CC[N@H+]1C ZINC001108546198 1259157349 /nfs/dbraw/zinc/15/73/49/1259157349.db2.gz QEKSKCXRGIRYHH-BHYGNILZSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001112570778 1259166003 /nfs/dbraw/zinc/16/60/03/1259166003.db2.gz OQMPBOVPBOBECG-IHPCNDPISA-N 2 1 365.518 0.700 20 0 FCADMP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC001127643844 1259182884 /nfs/dbraw/zinc/18/28/84/1259182884.db2.gz NRURKNLJLWIHBT-GDBMZVCRSA-N 2 1 364.465 0.796 20 0 FCADMP COCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127991627 1259188791 /nfs/dbraw/zinc/18/87/91/1259188791.db2.gz ZHBSTJSISGUZNT-QLFBSQMISA-N 2 1 364.494 0.175 20 0 FCADMP COCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127991627 1259188793 /nfs/dbraw/zinc/18/87/93/1259188793.db2.gz ZHBSTJSISGUZNT-QLFBSQMISA-N 2 1 364.494 0.175 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001331603699 1266246907 /nfs/dbraw/zinc/24/69/07/1266246907.db2.gz IICHCLYYXOADIW-CRAIPNDOSA-N 2 1 372.469 0.521 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001331603699 1266246915 /nfs/dbraw/zinc/24/69/15/1266246915.db2.gz IICHCLYYXOADIW-CRAIPNDOSA-N 2 1 372.469 0.521 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989207 1259282796 /nfs/dbraw/zinc/28/27/96/1259282796.db2.gz MOJLNQMPJLRYGA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989207 1259282800 /nfs/dbraw/zinc/28/28/00/1259282800.db2.gz MOJLNQMPJLRYGA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989207 1259282809 /nfs/dbraw/zinc/28/28/09/1259282809.db2.gz MOJLNQMPJLRYGA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989207 1259282814 /nfs/dbraw/zinc/28/28/14/1259282814.db2.gz MOJLNQMPJLRYGA-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029317 1259292600 /nfs/dbraw/zinc/29/26/00/1259292600.db2.gz BFYUZHUFDSGCSU-OAGGEKHMSA-N 2 1 370.473 0.336 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029317 1259292609 /nfs/dbraw/zinc/29/26/09/1259292609.db2.gz BFYUZHUFDSGCSU-OAGGEKHMSA-N 2 1 370.473 0.336 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1 ZINC001129048784 1259298891 /nfs/dbraw/zinc/29/88/91/1259298891.db2.gz JSXDNASINUFXDC-XHSDSOJGSA-N 2 1 362.478 0.140 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071814 1259304960 /nfs/dbraw/zinc/30/49/60/1259304960.db2.gz MVEOZDXBGROVKM-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071814 1259304965 /nfs/dbraw/zinc/30/49/65/1259304965.db2.gz MVEOZDXBGROVKM-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220313 1259347253 /nfs/dbraw/zinc/34/72/53/1259347253.db2.gz VEHSDXFMIBUFGK-OAGGEKHMSA-N 2 1 364.494 0.122 20 0 FCADMP C[NH+]1CCN(c2nccnc2-n2nc(-c3ccccc3)nc2CC[NH3+])CC1 ZINC001168708274 1259389786 /nfs/dbraw/zinc/38/97/86/1259389786.db2.gz NDYJESXPRBSCSU-UHFFFAOYSA-N 2 1 364.457 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001200537580 1259415780 /nfs/dbraw/zinc/41/57/80/1259415780.db2.gz QYZKQMKVCMLLDR-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537150 1259416105 /nfs/dbraw/zinc/41/61/05/1259416105.db2.gz MIMTYANMMVVATL-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001200536259 1259416323 /nfs/dbraw/zinc/41/63/23/1259416323.db2.gz CCEZWYQZBSVGHU-HYVNUMGLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653779 1266258764 /nfs/dbraw/zinc/25/87/64/1266258764.db2.gz UTVUDXOFAQTPLU-OWLYRPNTSA-N 2 1 358.486 0.724 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546230 1259416752 /nfs/dbraw/zinc/41/67/52/1259416752.db2.gz AHUXGUPLROTMCE-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001200651608 1259419171 /nfs/dbraw/zinc/41/91/71/1259419171.db2.gz CTLRJKFRMFECDE-OKZBNKHCSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001200644933 1259419268 /nfs/dbraw/zinc/41/92/68/1259419268.db2.gz UBRBDSLLEDBHKM-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)Nc3cnccn3)CC2)CC[N@H+]1C ZINC001200636590 1259419432 /nfs/dbraw/zinc/41/94/32/1259419432.db2.gz JHQBCHMGLVJVKF-UKRRQHHQSA-N 2 1 360.462 0.336 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCO[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001200729491 1259420402 /nfs/dbraw/zinc/42/04/02/1259420402.db2.gz OCKPYRQCDRIMAK-ARFHVFGLSA-N 2 1 358.446 0.617 20 0 FCADMP COCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787670 1259420912 /nfs/dbraw/zinc/42/09/12/1259420912.db2.gz VXZPZBQSZAOMDJ-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787670 1259420916 /nfs/dbraw/zinc/42/09/16/1259420916.db2.gz VXZPZBQSZAOMDJ-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCC3CC3)C2)O1 ZINC001200787256 1259420940 /nfs/dbraw/zinc/42/09/40/1259420940.db2.gz QIEBIANLZLUPAY-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCC3CC3)C2)O1 ZINC001200787256 1259420944 /nfs/dbraw/zinc/42/09/44/1259420944.db2.gz QIEBIANLZLUPAY-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212416236 1259496325 /nfs/dbraw/zinc/49/63/25/1259496325.db2.gz DSJZVZFIAVIGEN-QZTJIDSGSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212416236 1259496331 /nfs/dbraw/zinc/49/63/31/1259496331.db2.gz DSJZVZFIAVIGEN-QZTJIDSGSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212416236 1259496337 /nfs/dbraw/zinc/49/63/37/1259496337.db2.gz DSJZVZFIAVIGEN-QZTJIDSGSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212416236 1259496347 /nfs/dbraw/zinc/49/63/47/1259496347.db2.gz DSJZVZFIAVIGEN-QZTJIDSGSA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1)OC ZINC001212458490 1259515269 /nfs/dbraw/zinc/51/52/69/1259515269.db2.gz HRZJHFDMFAZQGV-BRWVUGGUSA-N 2 1 371.522 0.585 20 0 FCADMP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](CCCC[NH3+])CCC2 ZINC001235497783 1259573427 /nfs/dbraw/zinc/57/34/27/1259573427.db2.gz KQXSDDPASOOSNQ-LPHOPBHVSA-N 2 1 360.506 0.822 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccccc3C(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC001235922849 1259585130 /nfs/dbraw/zinc/58/51/30/1259585130.db2.gz XIDQYJFELZBXGS-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3c(OC)cncc3OC)C[C@H]1C2 ZINC001236027898 1259587452 /nfs/dbraw/zinc/58/74/52/1259587452.db2.gz PEQMYRBIQOWGQM-IZSNYMMISA-N 2 1 361.442 0.929 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cnc4c(c3)OCCO4)C[C@H]1C2 ZINC001236028872 1259587485 /nfs/dbraw/zinc/58/74/85/1259587485.db2.gz XNOPBQQCCQQZPF-GJRWTSMGSA-N 2 1 359.426 0.683 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3c(CO)cnc(C)c3O)C[C@H]1C2 ZINC001236028130 1259587567 /nfs/dbraw/zinc/58/75/67/1259587567.db2.gz DZKUBNJALYVAQE-FERZIJSQSA-N 2 1 361.442 0.418 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(-c3ccc(N4CC[NH2+]CC4)nn3)cc2)CC1 ZINC001236555050 1259591560 /nfs/dbraw/zinc/59/15/60/1259591560.db2.gz CATSRQOQOJCVFW-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP C[C@H]1CN(c2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)nn2)CC[NH2+]1 ZINC001240539849 1259628807 /nfs/dbraw/zinc/62/88/07/1259628807.db2.gz BOVZGBQOVSCMGD-HNNXBMFYSA-N 2 1 357.462 0.470 20 0 FCADMP COC(=O)[C@](C)([NH3+])Cc1cccc(-c2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001241900021 1259632093 /nfs/dbraw/zinc/63/20/93/1259632093.db2.gz RWZMBPUYJLRFEW-LJQANCHMSA-N 2 1 355.442 0.986 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246069578 1259647230 /nfs/dbraw/zinc/64/72/30/1259647230.db2.gz KSJYHSPATGSPKA-CEXWTWQISA-N 2 1 368.472 0.693 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412592 1259652373 /nfs/dbraw/zinc/65/23/73/1259652373.db2.gz PNHJAXMPBWGKJM-CRAIPNDOSA-N 2 1 357.495 0.651 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412592 1259652383 /nfs/dbraw/zinc/65/23/83/1259652383.db2.gz PNHJAXMPBWGKJM-CRAIPNDOSA-N 2 1 357.495 0.651 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358924 1259652470 /nfs/dbraw/zinc/65/24/70/1259652470.db2.gz RJUDIMRHDKWBFK-ZIAGYGMSSA-N 2 1 362.478 0.334 20 0 FCADMP CCC(CC)[C@@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246411920 1259652614 /nfs/dbraw/zinc/65/26/14/1259652614.db2.gz RKPXTJGXIGUVMX-MQYMPAJFSA-N 3 1 365.518 0.937 20 0 FCADMP COc1ccc(C(=O)N2CCC(N3CC[NH2+]C[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246632384 1259656914 /nfs/dbraw/zinc/65/69/14/1259656914.db2.gz VBKCBQIVQWMCJZ-HXUWFJFHSA-N 2 1 358.486 0.937 20 0 FCADMP CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690752 1259658889 /nfs/dbraw/zinc/65/88/89/1259658889.db2.gz WULBKDFDRFATRZ-NQIIRXRSSA-N 2 1 369.513 0.504 20 0 FCADMP CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246690751 1259659489 /nfs/dbraw/zinc/65/94/89/1259659489.db2.gz WULBKDFDRFATRZ-GHTZIAJQSA-N 2 1 369.513 0.504 20 0 FCADMP c1ncn2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1cccnc1)C2 ZINC001246718646 1259667995 /nfs/dbraw/zinc/66/79/95/1259667995.db2.gz JMYZSSQYMHOHGD-SJORKVTESA-N 2 1 368.485 0.883 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246722674 1259669230 /nfs/dbraw/zinc/66/92/30/1259669230.db2.gz RXMOWLUUJRFBKW-URLQWDBASA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246722674 1259669240 /nfs/dbraw/zinc/66/92/40/1259669240.db2.gz RXMOWLUUJRFBKW-URLQWDBASA-N 2 1 374.489 0.200 20 0 FCADMP Cc1cccc(COC[C@]23COC[C@H]2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)n1 ZINC001246727508 1259671619 /nfs/dbraw/zinc/67/16/19/1259671619.db2.gz HSQLYORLUKBTFO-RLLQIKCJSA-N 2 1 372.513 0.949 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461516 1259672079 /nfs/dbraw/zinc/67/20/79/1259672079.db2.gz WKKCPGDGFOOKFI-BZUAXINKSA-N 2 1 352.479 0.308 20 0 FCADMP c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246737426 1259673241 /nfs/dbraw/zinc/67/32/41/1259673241.db2.gz PYAANVAMQVMTNP-INDMIFKZSA-N 2 1 358.486 0.924 20 0 FCADMP O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246734515 1259673329 /nfs/dbraw/zinc/67/33/29/1259673329.db2.gz OILJEHDYBBKLDN-VDHUWJSZSA-N 2 1 374.485 0.612 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)c1 ZINC001246735560 1259673534 /nfs/dbraw/zinc/67/35/34/1259673534.db2.gz UPIMBCFDTJZWJY-CEXWTWQISA-N 2 1 357.502 0.451 20 0 FCADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739950 1259674476 /nfs/dbraw/zinc/67/44/76/1259674476.db2.gz SLSBRNOGKKXINO-KRWDZBQOSA-N 3 1 374.533 0.385 20 0 FCADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739950 1259674488 /nfs/dbraw/zinc/67/44/88/1259674488.db2.gz SLSBRNOGKKXINO-KRWDZBQOSA-N 2 1 374.533 0.385 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741000 1259675680 /nfs/dbraw/zinc/67/56/80/1259675680.db2.gz WRTPJQKQAUQXBI-IUVQAAGXSA-N 2 1 359.474 0.970 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246743856 1259676503 /nfs/dbraw/zinc/67/65/03/1259676503.db2.gz BNGWSUQNVHYMKM-PKOBYXMFSA-N 2 1 355.486 0.600 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C[NH2+]1 ZINC001246746324 1259677668 /nfs/dbraw/zinc/67/76/68/1259677668.db2.gz JEWPZXWBGISVQU-IRXDYDNUSA-N 2 1 366.506 0.155 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001335478440 1259678223 /nfs/dbraw/zinc/67/82/23/1259678223.db2.gz SICUCWWYKKFGPZ-GOSISDBHSA-N 2 1 351.495 0.467 20 0 FCADMP O=C([C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745362 1259678296 /nfs/dbraw/zinc/67/82/96/1259678296.db2.gz HBXCHCPYGRGWIS-SJORKVTESA-N 2 1 362.518 0.431 20 0 FCADMP CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246751857 1259678914 /nfs/dbraw/zinc/67/89/14/1259678914.db2.gz CQTICTBFHIEICS-ZWOKBUDYSA-N 2 1 372.517 0.630 20 0 FCADMP Cn1cc(C(=O)N[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]3CCCO[C@H]23)cn1 ZINC001246750680 1259679382 /nfs/dbraw/zinc/67/93/82/1259679382.db2.gz GVTGUUOVEVFYRT-CYLNWZRHSA-N 2 1 359.474 0.665 20 0 FCADMP CN(C)C(=O)[C@]12C[N@H+](C3CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246748852 1259680246 /nfs/dbraw/zinc/68/02/46/1259680246.db2.gz POBSIJJBSLXZFO-VQIMIIECSA-N 2 1 358.490 0.588 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752300 1259680699 /nfs/dbraw/zinc/68/06/99/1259680699.db2.gz ZCXZIUDIEKZDQS-ICSRJNTNSA-N 2 1 369.513 0.990 20 0 FCADMP c1ncn2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1ccccn1)C2 ZINC001246763389 1259683588 /nfs/dbraw/zinc/68/35/88/1259683588.db2.gz BWEGRHNYBQFKIJ-SJORKVTESA-N 2 1 368.485 0.883 20 0 FCADMP O=C1[C@@H]2CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C(=O)N1Cc1ccccc1 ZINC001246846576 1259690221 /nfs/dbraw/zinc/69/02/21/1259690221.db2.gz BKTWTCBDZDHIOW-KZNAEPCWSA-N 2 1 368.481 0.730 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851428 1259690254 /nfs/dbraw/zinc/69/02/54/1259690254.db2.gz GBYXZTUWRXVYGR-BIENJYKASA-N 2 1 374.489 0.416 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3CCN(c4ncccn4)CC3)C[C@H]1C2 ZINC001246857962 1259693572 /nfs/dbraw/zinc/69/35/72/1259693572.db2.gz JYOYNKCSOWJODH-ASKNOMKYSA-N 2 1 371.485 0.776 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859483 1259693898 /nfs/dbraw/zinc/69/38/98/1259693898.db2.gz PEAZRFJVZDIBPP-MSWPAXRKSA-N 2 1 366.458 0.428 20 0 FCADMP COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920234 1259694519 /nfs/dbraw/zinc/69/45/19/1259694519.db2.gz DHOPMUSNGHSISE-OALUTQOASA-N 2 1 372.513 0.830 20 0 FCADMP [NH3+]CCNC(=O)/C=C/c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001247637440 1259703148 /nfs/dbraw/zinc/70/31/48/1259703148.db2.gz FVNGWSISAIMUHZ-AATRIKPKSA-N 2 1 357.414 0.657 20 0 FCADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3C[NH2+]CC34CNC4)n2)CC1 ZINC001247831237 1259705804 /nfs/dbraw/zinc/70/58/04/1259705804.db2.gz RGDZADUCJQXCPO-HNNXBMFYSA-N 2 1 354.458 0.765 20 0 FCADMP CN1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4C[NH2+]CC5)n3)cc2)CC1 ZINC001247854849 1259707612 /nfs/dbraw/zinc/70/76/12/1259707612.db2.gz DDGIWVIQKZZMQJ-OXQOHEQNSA-N 2 1 368.485 0.939 20 0 FCADMP O[C@@H](CN1CCOCC1)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001251014271 1259728654 /nfs/dbraw/zinc/72/86/54/1259728654.db2.gz NXSHJIDORVUYDE-GOSISDBHSA-N 2 1 363.506 0.030 20 0 FCADMP OCC[NH+](CCO)CCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252394220 1259784330 /nfs/dbraw/zinc/78/43/30/1259784330.db2.gz MCJOVPJTTLLLTF-SFHVURJKSA-N 2 1 362.470 0.846 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335710700 1259798044 /nfs/dbraw/zinc/79/80/44/1259798044.db2.gz CSSIUCXMNVUFNR-MDYRTPRTSA-N 2 1 374.485 0.030 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252921333 1259810944 /nfs/dbraw/zinc/81/09/44/1259810944.db2.gz ALANEJUYRRPDJX-IHPCNDPISA-N 2 1 360.454 0.745 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252921333 1259810949 /nfs/dbraw/zinc/81/09/49/1259810949.db2.gz ALANEJUYRRPDJX-IHPCNDPISA-N 2 1 360.454 0.745 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252921333 1259810955 /nfs/dbraw/zinc/81/09/55/1259810955.db2.gz ALANEJUYRRPDJX-IHPCNDPISA-N 2 1 360.454 0.745 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252921333 1259810961 /nfs/dbraw/zinc/81/09/61/1259810961.db2.gz ALANEJUYRRPDJX-IHPCNDPISA-N 2 1 360.454 0.745 20 0 FCADMP C[NH+](C)CCCN1CC[NH+](C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253146155 1259821835 /nfs/dbraw/zinc/82/18/35/1259821835.db2.gz VASWACXHYMVLNW-IBGZPJMESA-N 2 1 365.518 0.530 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253391047 1259838682 /nfs/dbraw/zinc/83/86/82/1259838682.db2.gz WESLXEYUVZOGJN-BEFAXECRSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+]1CCC([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC1 ZINC001256204877 1259937877 /nfs/dbraw/zinc/93/78/77/1259937877.db2.gz MQYBYKRUFSQIST-RYQLBKOJSA-N 2 1 359.474 0.638 20 0 FCADMP C[NH+]1CCC([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC1 ZINC001256204877 1259937883 /nfs/dbraw/zinc/93/78/83/1259937883.db2.gz MQYBYKRUFSQIST-RYQLBKOJSA-N 2 1 359.474 0.638 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001256434884 1259951985 /nfs/dbraw/zinc/95/19/85/1259951985.db2.gz ODSFUEHWBMYLGQ-RTBURBONSA-N 2 1 366.550 0.973 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001336035034 1259953005 /nfs/dbraw/zinc/95/30/05/1259953005.db2.gz MNUOBZPXQHEPLB-MJGOQNOKSA-N 2 1 365.522 0.321 20 0 FCADMP CC1(C)OC[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)O1 ZINC001336076024 1259976609 /nfs/dbraw/zinc/97/66/09/1259976609.db2.gz OPVODMQDZRYLQE-OWCLPIDISA-N 2 1 352.479 0.748 20 0 FCADMP CCN1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738628 1260027201 /nfs/dbraw/zinc/02/72/01/1260027201.db2.gz BGYIWZQHWPQAHG-FIDHJVLJSA-N 2 1 368.474 0.770 20 0 FCADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738628 1260027207 /nfs/dbraw/zinc/02/72/07/1260027207.db2.gz BGYIWZQHWPQAHG-FIDHJVLJSA-N 2 1 368.474 0.770 20 0 FCADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738628 1260027215 /nfs/dbraw/zinc/02/72/15/1260027215.db2.gz BGYIWZQHWPQAHG-FIDHJVLJSA-N 2 1 368.474 0.770 20 0 FCADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738628 1260027222 /nfs/dbraw/zinc/02/72/22/1260027222.db2.gz BGYIWZQHWPQAHG-FIDHJVLJSA-N 2 1 368.474 0.770 20 0 FCADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001257738628 1260027232 /nfs/dbraw/zinc/02/72/32/1260027232.db2.gz BGYIWZQHWPQAHG-FIDHJVLJSA-N 2 1 368.474 0.770 20 0 FCADMP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001336241104 1260055181 /nfs/dbraw/zinc/05/51/81/1260055181.db2.gz QBMNPGLWITWHOV-MSOLQXFVSA-N 2 1 367.538 0.614 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C[C@@H]2C1 ZINC001336268332 1260062493 /nfs/dbraw/zinc/06/24/93/1260062493.db2.gz VHEIAHFGVPBBET-SOUVJXGZSA-N 2 1 350.463 0.707 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC001261384474 1260130240 /nfs/dbraw/zinc/13/02/40/1260130240.db2.gz QGCUQATUUSKJOR-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825776 1260231250 /nfs/dbraw/zinc/23/12/50/1260231250.db2.gz HYFWOAZNEIBEKU-WMLDXEAASA-N 2 1 371.428 0.767 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825774 1260231541 /nfs/dbraw/zinc/23/15/41/1260231541.db2.gz HYFWOAZNEIBEKU-PBHICJAKSA-N 2 1 371.428 0.767 20 0 FCADMP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336857382 1260238870 /nfs/dbraw/zinc/23/88/70/1260238870.db2.gz CVAVIBAGOAGJSO-YVSFHVDLSA-N 2 1 363.506 0.511 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NCCOCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001336903976 1260249369 /nfs/dbraw/zinc/24/93/69/1260249369.db2.gz QOYGNCNVPKZBEY-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001336975329 1260273432 /nfs/dbraw/zinc/27/34/32/1260273432.db2.gz NBLXDVDTSIJFFF-BHIYHBOVSA-N 2 1 373.501 0.317 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001337077877 1260303633 /nfs/dbraw/zinc/30/36/33/1260303633.db2.gz MICVNEYAEARSHJ-SJORKVTESA-N 2 1 350.507 0.289 20 0 FCADMP C[C@H]1Cn2nc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099595 1260339796 /nfs/dbraw/zinc/33/97/96/1260339796.db2.gz OMAFIXOHUAIROP-XJKSGUPXSA-N 2 1 362.478 0.047 20 0 FCADMP C[C@H]1Cn2nc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2C[NH2+]1 ZINC001263099595 1260339803 /nfs/dbraw/zinc/33/98/03/1260339803.db2.gz OMAFIXOHUAIROP-XJKSGUPXSA-N 2 1 362.478 0.047 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)[C@H](C)C1 ZINC001337387440 1260387144 /nfs/dbraw/zinc/38/71/44/1260387144.db2.gz NJWMSJOLPTYSFX-FPCVCCKLSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCC3CCOCC3)CC2)CC[N@H+]1C ZINC001265258372 1260410082 /nfs/dbraw/zinc/41/00/82/1260410082.db2.gz HDJXDNLJEPAEBT-IEBWSBKVSA-N 2 1 366.550 0.877 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001265478897 1260414042 /nfs/dbraw/zinc/41/40/42/1260414042.db2.gz SITBMRCACXZXHQ-CEEVZKBLSA-N 2 1 362.474 0.861 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337532506 1260424050 /nfs/dbraw/zinc/42/40/50/1260424050.db2.gz SLAXOWCWYAMZSR-QAQDUYKDSA-N 2 1 373.501 0.121 20 0 FCADMP CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272741636 1260495239 /nfs/dbraw/zinc/49/52/39/1260495239.db2.gz KDMLJTDPVYCNAV-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001272745961 1260497472 /nfs/dbraw/zinc/49/74/72/1260497472.db2.gz UXGBBYBTTBZBTH-SJORKVTESA-N 2 1 360.502 0.768 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC001337875954 1260507602 /nfs/dbraw/zinc/50/76/02/1260507602.db2.gz BVMFMQVYSQCWQK-HDICACEKSA-N 2 1 371.485 0.720 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CCCC[N@H+]2C)C3)CC1 ZINC001273137227 1260600210 /nfs/dbraw/zinc/60/02/10/1260600210.db2.gz IRPHJGPLTSNAAI-WRWLIDTKSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216636 1260626645 /nfs/dbraw/zinc/62/66/45/1260626645.db2.gz ISEIHNTZGYOXQV-KSZLIROESA-N 2 1 361.490 0.384 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216636 1260626654 /nfs/dbraw/zinc/62/66/54/1260626654.db2.gz ISEIHNTZGYOXQV-KSZLIROESA-N 2 1 361.490 0.384 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216636 1260626664 /nfs/dbraw/zinc/62/66/64/1260626664.db2.gz ISEIHNTZGYOXQV-KSZLIROESA-N 2 1 361.490 0.384 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)C1 ZINC001273216636 1260626673 /nfs/dbraw/zinc/62/66/73/1260626673.db2.gz ISEIHNTZGYOXQV-KSZLIROESA-N 2 1 361.490 0.384 20 0 FCADMP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@H]1COCCN1C(=O)OC(C)(C)C)C2 ZINC001278184102 1260686827 /nfs/dbraw/zinc/68/68/27/1260686827.db2.gz VRPMIUQERNYKHZ-INIZCTEOSA-N 2 1 368.522 0.802 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc(C(C)(C)O)nc4)CC3)[C@@H]2C1 ZINC001278920635 1260759260 /nfs/dbraw/zinc/75/92/60/1260759260.db2.gz QZIPZEPGJDXRHC-HZPDHXFCSA-N 2 1 358.486 0.951 20 0 FCADMP Cc1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001279287197 1260823213 /nfs/dbraw/zinc/82/32/13/1260823213.db2.gz SVTPQDPHEDLFTL-IAGOWNOFSA-N 2 1 360.506 0.292 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2COC(C)(C)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001279469835 1260875539 /nfs/dbraw/zinc/87/55/39/1260875539.db2.gz PZDRTCQHJOXOFL-LPHOPBHVSA-N 2 1 368.522 0.356 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001279500854 1260881257 /nfs/dbraw/zinc/88/12/57/1260881257.db2.gz FJXKPLTWFOCOPA-IRXDYDNUSA-N 2 1 368.522 0.800 20 0 FCADMP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825940 1260938984 /nfs/dbraw/zinc/93/89/84/1260938984.db2.gz IBRDXCNQKVEZOI-DARAHFNDSA-N 2 1 360.462 0.726 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(-n4nccn4)cc3)C[C@@H]21 ZINC001279880516 1260949430 /nfs/dbraw/zinc/94/94/30/1260949430.db2.gz XHUUDPGOXBNPPW-OALUTQOASA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(-n4nccn4)cc3)C[C@H]21 ZINC001279880514 1260949699 /nfs/dbraw/zinc/94/96/99/1260949699.db2.gz XHUUDPGOXBNPPW-MOPGFXCFSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001279900677 1260956330 /nfs/dbraw/zinc/95/63/30/1260956330.db2.gz UWALNMRIASGWAF-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914831 1260959078 /nfs/dbraw/zinc/95/90/78/1260959078.db2.gz VUQDNHDYGRIFFE-UWWQBHOKSA-N 2 1 366.506 0.012 20 0 FCADMP COCOCCC[N@@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280090063 1260997463 /nfs/dbraw/zinc/99/74/63/1260997463.db2.gz MBTIHCZQVAVCKC-UHFFFAOYSA-N 2 1 365.478 0.602 20 0 FCADMP COCOCCC[N@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280090063 1260997468 /nfs/dbraw/zinc/99/74/68/1260997468.db2.gz MBTIHCZQVAVCKC-UHFFFAOYSA-N 2 1 365.478 0.602 20 0 FCADMP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001280202281 1261031298 /nfs/dbraw/zinc/03/12/98/1261031298.db2.gz YMLWKNFUJRYQCX-GVDBMIGSSA-N 2 1 361.490 0.024 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)O1 ZINC001280211054 1261034354 /nfs/dbraw/zinc/03/43/54/1261034354.db2.gz MJSVBCSURCUBCN-ZDUSSCGKSA-N 2 1 363.466 0.114 20 0 FCADMP Cc1c[nH]c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)n1 ZINC001280215534 1261036556 /nfs/dbraw/zinc/03/65/56/1261036556.db2.gz RXOMTVQFNDCIIC-RDTXWAMCSA-N 2 1 357.462 0.937 20 0 FCADMP Cc1c[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)n1 ZINC001280215534 1261036561 /nfs/dbraw/zinc/03/65/61/1261036561.db2.gz RXOMTVQFNDCIIC-RDTXWAMCSA-N 2 1 357.462 0.937 20 0 FCADMP O=C1CCC[C@]2(CN(CC[NH+]3CCCC3)CC[N@H+](Cc3cn[nH]c3)C2)N1 ZINC001280224391 1261039858 /nfs/dbraw/zinc/03/98/58/1261039858.db2.gz QYUNMJOFDBACRI-LJQANCHMSA-N 2 1 360.506 0.662 20 0 FCADMP O=C1CCC[C@]2(CN(CC[NH+]3CCCC3)CC[N@@H+](Cc3cn[nH]c3)C2)N1 ZINC001280224391 1261039860 /nfs/dbraw/zinc/03/98/60/1261039860.db2.gz QYUNMJOFDBACRI-LJQANCHMSA-N 2 1 360.506 0.662 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259445 1261043627 /nfs/dbraw/zinc/04/36/27/1261043627.db2.gz ONGARQPFRRNBLN-LMSBXDPUSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259445 1261043631 /nfs/dbraw/zinc/04/36/31/1261043631.db2.gz ONGARQPFRRNBLN-LMSBXDPUSA-N 2 1 361.490 0.847 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259445 1261043636 /nfs/dbraw/zinc/04/36/36/1261043636.db2.gz ONGARQPFRRNBLN-LMSBXDPUSA-N 2 1 361.490 0.847 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001280259452 1261043742 /nfs/dbraw/zinc/04/37/42/1261043742.db2.gz OQHZNTDUCMQJEM-FLXSYLCISA-N 2 1 360.506 0.740 20 0 FCADMP Cc1nc[nH]c1C[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280345098 1261060670 /nfs/dbraw/zinc/06/06/70/1261060670.db2.gz XXYQBFNDACTGGB-KYJSFNMBSA-N 2 1 361.490 0.908 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC001281848291 1261231197 /nfs/dbraw/zinc/23/11/97/1261231197.db2.gz PYETZHQJOGDKPF-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(CO)(CO)CC3)CC2)CC1 ZINC001332507673 1266419159 /nfs/dbraw/zinc/41/91/59/1266419159.db2.gz MBNWKVDJVYHEHY-UHFFFAOYSA-N 2 1 367.534 0.776 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001580311257 1278115101 /nfs/dbraw/zinc/11/51/01/1278115101.db2.gz MIYCBTUARKIMTO-SFHVURJKSA-N 2 1 358.486 0.748 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)Cc2cncn2C)C(C)(C)C)CC[N@H+]1C ZINC001288221092 1262013068 /nfs/dbraw/zinc/01/30/68/1262013068.db2.gz GPDBVJLPZRLRAU-BMFZPTHFSA-N 2 1 363.506 0.950 20 0 FCADMP COCCN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001288246742 1262016206 /nfs/dbraw/zinc/01/62/06/1262016206.db2.gz NEQKGIVSBHDIAZ-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580324040 1278125369 /nfs/dbraw/zinc/12/53/69/1278125369.db2.gz ATUZNMGHGRNISI-XJKCOSOUSA-N 2 1 370.461 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001289146718 1262127525 /nfs/dbraw/zinc/12/75/25/1262127525.db2.gz XULKLYLHFMNYLJ-IAGOWNOFSA-N 2 1 368.522 0.282 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC001290540238 1262467464 /nfs/dbraw/zinc/46/74/64/1262467464.db2.gz SNUSEHYIGCEYAV-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC001290540238 1262467469 /nfs/dbraw/zinc/46/74/69/1262467469.db2.gz SNUSEHYIGCEYAV-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC001290540238 1262467473 /nfs/dbraw/zinc/46/74/73/1262467473.db2.gz SNUSEHYIGCEYAV-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001580345207 1278142282 /nfs/dbraw/zinc/14/22/82/1278142282.db2.gz IBSYOIQMQYVGOF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580345207 1278142287 /nfs/dbraw/zinc/14/22/87/1278142287.db2.gz IBSYOIQMQYVGOF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580345207 1278142292 /nfs/dbraw/zinc/14/22/92/1278142292.db2.gz IBSYOIQMQYVGOF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC001293284525 1262714573 /nfs/dbraw/zinc/71/45/73/1262714573.db2.gz WQQVQFQCVTVXNE-SFHVURJKSA-N 2 1 361.490 0.280 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001479506749 1263234438 /nfs/dbraw/zinc/23/44/38/1263234438.db2.gz NMXQEOYFLGLRNP-BHYGNILZSA-N 2 1 365.522 0.663 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001317552608 1263517184 /nfs/dbraw/zinc/51/71/84/1263517184.db2.gz LKBHOVPDOWWKHQ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001317552608 1263517188 /nfs/dbraw/zinc/51/71/88/1263517188.db2.gz LKBHOVPDOWWKHQ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001317552608 1263517192 /nfs/dbraw/zinc/51/71/92/1263517192.db2.gz LKBHOVPDOWWKHQ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001317552608 1263517196 /nfs/dbraw/zinc/51/71/96/1263517196.db2.gz LKBHOVPDOWWKHQ-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001580385827 1278205794 /nfs/dbraw/zinc/20/57/94/1278205794.db2.gz VYWWXHQCARVNMF-ZIAGYGMSSA-N 2 1 372.477 0.887 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001495160897 1263801551 /nfs/dbraw/zinc/80/15/51/1263801551.db2.gz NVSCNDYBAOJNKZ-BFHYXJOUSA-N 2 1 367.494 0.189 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001496978434 1263907429 /nfs/dbraw/zinc/90/74/29/1263907429.db2.gz CEJJOKVMWZOLIK-DJIMGWMZSA-N 2 1 362.474 0.340 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001322316307 1264181624 /nfs/dbraw/zinc/18/16/24/1264181624.db2.gz QKKLOFBLRLLTHQ-OAHLLOKOSA-N 2 1 370.457 0.688 20 0 FCADMP Cc1nonc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001502870933 1264183446 /nfs/dbraw/zinc/18/34/46/1264183446.db2.gz WYCNKXJDTOJAJY-ZIAGYGMSSA-N 2 1 351.451 0.161 20 0 FCADMP Cc1nonc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001502870933 1264183449 /nfs/dbraw/zinc/18/34/49/1264183449.db2.gz WYCNKXJDTOJAJY-ZIAGYGMSSA-N 2 1 351.451 0.161 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580390171 1278220471 /nfs/dbraw/zinc/22/04/71/1278220471.db2.gz WKQAAPGLCUVQNM-BASLNEPJSA-N 2 1 369.473 0.944 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001322732568 1264251938 /nfs/dbraw/zinc/25/19/38/1264251938.db2.gz HJFKRDGPXOTJQU-IKGGRYGDSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580401041 1278226882 /nfs/dbraw/zinc/22/68/82/1278226882.db2.gz ZRAKYOIHFBWNEM-ABAIWWIYSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)Cc3ccco3)CC2)CC[N@H+]1C ZINC001323443132 1264430293 /nfs/dbraw/zinc/43/02/93/1264430293.db2.gz ORWFCNDSGHGVDV-GDBMZVCRSA-N 2 1 362.474 0.817 20 0 FCADMP COC(=O)c1cnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC001323577499 1264460084 /nfs/dbraw/zinc/46/00/84/1264460084.db2.gz CSKGGCCLNTYSBQ-CQSZACIVSA-N 2 1 361.446 0.504 20 0 FCADMP COC(=O)c1cnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC001323577499 1264460085 /nfs/dbraw/zinc/46/00/85/1264460085.db2.gz CSKGGCCLNTYSBQ-CQSZACIVSA-N 2 1 361.446 0.504 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001325829783 1265005107 /nfs/dbraw/zinc/00/51/07/1265005107.db2.gz GEGDPUWZFWFNAF-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001513391921 1265089702 /nfs/dbraw/zinc/08/97/02/1265089702.db2.gz IPQPNNFXEOOXKT-NUJGCVRESA-N 2 1 368.522 0.399 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@@H]21 ZINC001326472049 1265118283 /nfs/dbraw/zinc/11/82/83/1265118283.db2.gz ICJFOHLQMDEHJW-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574109 1266432617 /nfs/dbraw/zinc/43/26/17/1266432617.db2.gz SIEFMBYCGFRACT-KSZLIROESA-N 2 1 367.538 0.694 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CCO1 ZINC001333396782 1266592082 /nfs/dbraw/zinc/59/20/82/1266592082.db2.gz CFPKIVXMVXBPIX-WBAXXEDZSA-N 2 1 372.469 0.096 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CCO1 ZINC001333396782 1266592090 /nfs/dbraw/zinc/59/20/90/1266592090.db2.gz CFPKIVXMVXBPIX-WBAXXEDZSA-N 2 1 372.469 0.096 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001333448310 1266604894 /nfs/dbraw/zinc/60/48/94/1266604894.db2.gz NNYQPBLBOFKLRT-SAABIXHNSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001333795219 1266719926 /nfs/dbraw/zinc/71/99/26/1266719926.db2.gz XCPHCHGXIVSHLS-HNNXBMFYSA-N 2 1 351.491 0.809 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001333821808 1266729151 /nfs/dbraw/zinc/72/91/51/1266729151.db2.gz YOZDTPZYKWHQTA-ZDUSSCGKSA-N 2 1 358.446 0.721 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001333958582 1266757328 /nfs/dbraw/zinc/75/73/28/1266757328.db2.gz CGFNPEXWBGSYKF-MBOZVWFJSA-N 2 1 358.486 0.868 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC001334215999 1266892250 /nfs/dbraw/zinc/89/22/50/1266892250.db2.gz TUWZJSWGNKQXBJ-KRWDZBQOSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC1CC[NH+](CC2CC2)CC1 ZINC001527877163 1266930654 /nfs/dbraw/zinc/93/06/54/1266930654.db2.gz BOWFNQFPXHQDAF-UHFFFAOYSA-N 2 1 352.479 0.609 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC1CC[NH+](CC2CC2)CC1 ZINC001527877163 1266930660 /nfs/dbraw/zinc/93/06/60/1266930660.db2.gz BOWFNQFPXHQDAF-UHFFFAOYSA-N 2 1 352.479 0.609 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001527877133 1266930953 /nfs/dbraw/zinc/93/09/53/1266930953.db2.gz AWLWQWQCUNNJML-UHFFFAOYSA-N 2 1 362.474 0.996 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC001527877133 1266930959 /nfs/dbraw/zinc/93/09/59/1266930959.db2.gz AWLWQWQCUNNJML-UHFFFAOYSA-N 2 1 362.474 0.996 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099759 1266943439 /nfs/dbraw/zinc/94/34/39/1266943439.db2.gz FGUJMXJOIYCCKR-QZTJIDSGSA-N 2 1 363.550 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCNC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@H+]1C ZINC001529794034 1267078151 /nfs/dbraw/zinc/07/81/51/1267078151.db2.gz FRRPPTYGMYOXQH-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001542692048 1267504375 /nfs/dbraw/zinc/50/43/75/1267504375.db2.gz UDDNFYMMLIKQTG-ROUUACIJSA-N 3 1 354.539 0.829 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001542692048 1267504382 /nfs/dbraw/zinc/50/43/82/1267504382.db2.gz UDDNFYMMLIKQTG-ROUUACIJSA-N 2 1 354.539 0.829 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001542692048 1267504392 /nfs/dbraw/zinc/50/43/92/1267504392.db2.gz UDDNFYMMLIKQTG-ROUUACIJSA-N 2 1 354.539 0.829 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001549034511 1267792915 /nfs/dbraw/zinc/79/29/15/1267792915.db2.gz NMSZZKQRROGCSQ-SSGTUYFUSA-N 2 1 363.506 0.807 20 0 FCADMP C[C@@H](CN1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338449511 1267944810 /nfs/dbraw/zinc/94/48/10/1267944810.db2.gz UMYFTNXOHFYZID-RYQLBKOJSA-N 2 1 365.522 0.317 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC001338685312 1268042502 /nfs/dbraw/zinc/04/25/02/1268042502.db2.gz YFQORNBAFXLHNC-INIZCTEOSA-N 2 1 360.462 0.253 20 0 FCADMP COC[C@]1(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCCC[NH2+]1 ZINC001550069254 1268068989 /nfs/dbraw/zinc/06/89/89/1268068989.db2.gz POUOBKNGWXYXOX-BXWFABGCSA-N 2 1 351.491 0.905 20 0 FCADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550284032 1268104498 /nfs/dbraw/zinc/10/44/98/1268104498.db2.gz SIUICCXHZIIWQB-PMPSAXMXSA-N 2 1 354.495 0.242 20 0 FCADMP Cn1cc(CN2CC[C@H]([NH+](C)C)C2)c(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n1 ZINC001550366203 1268107947 /nfs/dbraw/zinc/10/79/47/1268107947.db2.gz CDWBEPGJYCOQEB-RYRKJORJSA-N 2 1 374.533 0.580 20 0 FCADMP CO[C@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001550401054 1268111304 /nfs/dbraw/zinc/11/13/04/1268111304.db2.gz QIRNHXSNWWNSJJ-KRWDZBQOSA-N 2 1 361.490 0.951 20 0 FCADMP CO[C@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001550401054 1268111310 /nfs/dbraw/zinc/11/13/10/1268111310.db2.gz QIRNHXSNWWNSJJ-KRWDZBQOSA-N 2 1 361.490 0.951 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H](O)C2 ZINC001550478241 1268124386 /nfs/dbraw/zinc/12/43/86/1268124386.db2.gz MIKBSILUEBSNEG-WMEZAQDKSA-N 2 1 363.506 0.654 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540296 1268129696 /nfs/dbraw/zinc/12/96/96/1268129696.db2.gz BCMWVQKMUICMEV-IKGGRYGDSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540296 1268129700 /nfs/dbraw/zinc/12/97/00/1268129700.db2.gz BCMWVQKMUICMEV-IKGGRYGDSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540296 1268129703 /nfs/dbraw/zinc/12/97/03/1268129703.db2.gz BCMWVQKMUICMEV-IKGGRYGDSA-N 2 1 374.485 0.836 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338966392 1268131956 /nfs/dbraw/zinc/13/19/56/1268131956.db2.gz WHSOBSDGRIXJTO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338966392 1268131961 /nfs/dbraw/zinc/13/19/61/1268131961.db2.gz WHSOBSDGRIXJTO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338966392 1268131964 /nfs/dbraw/zinc/13/19/64/1268131964.db2.gz WHSOBSDGRIXJTO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]C[C@@]12CC[C@@H](CN1C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001550731150 1268157397 /nfs/dbraw/zinc/15/73/97/1268157397.db2.gz LJJOTYDHZKGBFG-QAPCUYQASA-N 2 1 352.479 0.391 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H](C)O1 ZINC001550762521 1268164934 /nfs/dbraw/zinc/16/49/34/1268164934.db2.gz PQHSJYCRBBTOPM-ZACQAIPSSA-N 2 1 368.522 0.896 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001550980903 1268188001 /nfs/dbraw/zinc/18/80/01/1268188001.db2.gz SDHQEFZAPHMYSC-BRWVUGGUSA-N 2 1 354.495 0.600 20 0 FCADMP CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@H]3[NH2+]CC(=O)N[C@@H]3C2)CC1 ZINC001551470287 1268257805 /nfs/dbraw/zinc/25/78/05/1268257805.db2.gz HNFLBVFCMAZMFG-BWRBCVJASA-N 2 1 363.506 0.655 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC(C[NH3+])(c2ccccc2)C1 ZINC001551486921 1268261027 /nfs/dbraw/zinc/26/10/27/1268261027.db2.gz ZQAYGONWCWXPOE-PPDQVPDSSA-N 2 1 359.518 0.981 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551518918 1268263134 /nfs/dbraw/zinc/26/31/34/1268263134.db2.gz KWPAIVRIYDOEAV-MJGOQNOKSA-N 2 1 373.501 0.901 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551555295 1268267203 /nfs/dbraw/zinc/26/72/03/1268267203.db2.gz NMMASLPTYRAJDH-RDJZCZTQSA-N 2 1 365.522 0.664 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551585360 1268279202 /nfs/dbraw/zinc/27/92/02/1268279202.db2.gz ATUZEOSQUKVIKA-IIVZCXTMSA-N 2 1 365.522 0.757 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551592794 1268280515 /nfs/dbraw/zinc/28/05/15/1268280515.db2.gz NAVGZTLXIWXONO-LXZKKBNFSA-N 2 1 351.495 0.226 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551596438 1268281696 /nfs/dbraw/zinc/28/16/96/1268281696.db2.gz TZJFTVGWSCDLFN-ZVZYQTTQSA-N 2 1 365.522 0.616 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@@H+]1C ZINC001551938423 1268315599 /nfs/dbraw/zinc/31/55/99/1268315599.db2.gz IYHFECHBMQHDHH-LXTVHRRPSA-N 2 1 362.478 0.499 20 0 FCADMP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](OC)CN2c2cc(N)[nH+]cn2)CC[N@H+]1C ZINC001551938423 1268315610 /nfs/dbraw/zinc/31/56/10/1268315610.db2.gz IYHFECHBMQHDHH-LXTVHRRPSA-N 2 1 362.478 0.499 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC001339854660 1268349899 /nfs/dbraw/zinc/34/98/99/1268349899.db2.gz IPFGLNATURTLKA-VKJFTORMSA-N 2 1 372.469 0.922 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001552013513 1268352626 /nfs/dbraw/zinc/35/26/26/1268352626.db2.gz SYKMQEDIJRSBJB-MLHJIOFPSA-N 2 1 366.506 0.744 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)n1C ZINC001552120077 1268382542 /nfs/dbraw/zinc/38/25/42/1268382542.db2.gz GJGASHGYVXEJRB-RBSFLKMASA-N 2 1 350.467 0.273 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)n1C ZINC001552120077 1268382552 /nfs/dbraw/zinc/38/25/52/1268382552.db2.gz GJGASHGYVXEJRB-RBSFLKMASA-N 2 1 350.467 0.273 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001552127631 1268387266 /nfs/dbraw/zinc/38/72/66/1268387266.db2.gz VZMQCVXVYBXWFR-RBSFLKMASA-N 2 1 350.467 0.554 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201429 1268408246 /nfs/dbraw/zinc/40/82/46/1268408246.db2.gz WABALHHKDBQEDA-QUCCMNQESA-N 2 1 358.486 0.286 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202166 1268408274 /nfs/dbraw/zinc/40/82/74/1268408274.db2.gz BUAIZRWHICNVGJ-CTNGQTDRSA-N 2 1 372.513 0.676 20 0 FCADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202895 1268409319 /nfs/dbraw/zinc/40/93/19/1268409319.db2.gz SKVBZHKWFLWQAL-XLIONFOSSA-N 2 1 358.486 0.999 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283893 1268433470 /nfs/dbraw/zinc/43/34/70/1268433470.db2.gz VIOWFZLBOSEXPL-WQDJSCAQSA-N 2 1 365.518 0.960 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001340123822 1268443773 /nfs/dbraw/zinc/44/37/73/1268443773.db2.gz XLYDBIPMVNVWMV-INIZCTEOSA-N 2 1 358.486 0.571 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC001340123822 1268443776 /nfs/dbraw/zinc/44/37/76/1268443776.db2.gz XLYDBIPMVNVWMV-INIZCTEOSA-N 2 1 358.486 0.571 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC001552680227 1268520322 /nfs/dbraw/zinc/52/03/22/1268520322.db2.gz KBZJUKNUJGAPAZ-MRXNPFEDSA-N 2 1 363.506 0.981 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC001552680227 1268520332 /nfs/dbraw/zinc/52/03/32/1268520332.db2.gz KBZJUKNUJGAPAZ-MRXNPFEDSA-N 2 1 363.506 0.981 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC001552692556 1268521561 /nfs/dbraw/zinc/52/15/61/1268521561.db2.gz JZGZJCSKXPIGGP-UHFFFAOYSA-N 2 1 374.489 0.257 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC001552696355 1268523587 /nfs/dbraw/zinc/52/35/87/1268523587.db2.gz WKEKJICJHDLSEE-BFYDXBDKSA-N 2 1 362.478 0.515 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001340397058 1268534922 /nfs/dbraw/zinc/53/49/22/1268534922.db2.gz DCYIEVIERSFQNL-ICSRJNTNSA-N 2 1 361.486 0.898 20 0 FCADMP C[NH+]1CCN([C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770519 1268543037 /nfs/dbraw/zinc/54/30/37/1268543037.db2.gz WLDDCAGAACJWHI-KRWDZBQOSA-N 2 1 366.554 0.044 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC001552808671 1268552836 /nfs/dbraw/zinc/55/28/36/1268552836.db2.gz YZLRVOJLCJMSOV-SQNIBIBYSA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@H]2CCC[C@@H]2N(C)C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001552808671 1268552839 /nfs/dbraw/zinc/55/28/39/1268552839.db2.gz YZLRVOJLCJMSOV-SQNIBIBYSA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@H]2CCC[C@@H]2N(C)C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001552808671 1268552845 /nfs/dbraw/zinc/55/28/45/1268552845.db2.gz YZLRVOJLCJMSOV-SQNIBIBYSA-N 2 1 368.522 0.992 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC001552976092 1268572030 /nfs/dbraw/zinc/57/20/30/1268572030.db2.gz MRJMJQDTNBOJFX-UHFFFAOYSA-N 2 1 356.514 0.791 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997453 1268574502 /nfs/dbraw/zinc/57/45/02/1268574502.db2.gz MZGHMHNNNOANTR-GJGATLCTSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997453 1268574511 /nfs/dbraw/zinc/57/45/11/1268574511.db2.gz MZGHMHNNNOANTR-GJGATLCTSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997453 1268574517 /nfs/dbraw/zinc/57/45/17/1268574517.db2.gz MZGHMHNNNOANTR-GJGATLCTSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997453 1268574522 /nfs/dbraw/zinc/57/45/22/1268574522.db2.gz MZGHMHNNNOANTR-GJGATLCTSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997454 1268574655 /nfs/dbraw/zinc/57/46/55/1268574655.db2.gz MZGHMHNNNOANTR-ILYVXUQDSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997454 1268574663 /nfs/dbraw/zinc/57/46/63/1268574663.db2.gz MZGHMHNNNOANTR-ILYVXUQDSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997454 1268574665 /nfs/dbraw/zinc/57/46/65/1268574665.db2.gz MZGHMHNNNOANTR-ILYVXUQDSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552997454 1268574668 /nfs/dbraw/zinc/57/46/68/1268574668.db2.gz MZGHMHNNNOANTR-ILYVXUQDSA-N 2 1 368.522 0.486 20 0 FCADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001340637296 1268612189 /nfs/dbraw/zinc/61/21/89/1268612189.db2.gz RKDCQQFBFSSRSI-QWHCGFSZSA-N 2 1 355.401 0.316 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368424 1268638292 /nfs/dbraw/zinc/63/82/92/1268638292.db2.gz GSMLDZOJIHQKEZ-YLJYHZDGSA-N 2 1 364.534 0.679 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553370154 1268638602 /nfs/dbraw/zinc/63/86/02/1268638602.db2.gz OYNBFPLMLQHXEE-FXAWDEMLSA-N 2 1 356.470 0.512 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553370154 1268638607 /nfs/dbraw/zinc/63/86/07/1268638607.db2.gz OYNBFPLMLQHXEE-FXAWDEMLSA-N 2 1 356.470 0.512 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553371084 1268638806 /nfs/dbraw/zinc/63/88/06/1268638806.db2.gz WLIVGJVFPNMPGK-VQIMIIECSA-N 2 1 351.491 0.764 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376638 1268638826 /nfs/dbraw/zinc/63/88/26/1268638826.db2.gz XELFAZCZVBFEHX-DHSIGJKJSA-N 2 1 365.499 0.809 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384826 1268640566 /nfs/dbraw/zinc/64/05/66/1268640566.db2.gz XELXSJSRDSZNMS-KXBFYZLASA-N 2 1 360.458 0.542 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccco4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378912 1268641415 /nfs/dbraw/zinc/64/14/15/1268641415.db2.gz OQOKLLQBBSGMIL-AUUYWEPGSA-N 2 1 360.458 0.542 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@H]2C1 ZINC001553385272 1268642892 /nfs/dbraw/zinc/64/28/92/1268642892.db2.gz ZVOZHTYZWGXVFJ-SCLBCKFNSA-N 2 1 364.877 0.727 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@H]2C1 ZINC001553399740 1268643735 /nfs/dbraw/zinc/64/37/35/1268643735.db2.gz TVDLNVNUEBFQMM-DYZYQPBXSA-N 2 1 370.375 0.700 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553405796 1268644979 /nfs/dbraw/zinc/64/49/79/1268644979.db2.gz DPHCKEKDUZJSEI-AABGKKOBSA-N 2 1 372.513 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553430592 1268648824 /nfs/dbraw/zinc/64/88/24/1268648824.db2.gz BNIJKBMAVCSVHY-HOTGVXAUSA-N 2 1 365.522 0.618 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)C[C@H](C)O1 ZINC001553430467 1268648911 /nfs/dbraw/zinc/64/89/11/1268648911.db2.gz MUIAENZGICEEDM-ILMPWQCYSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC001553460703 1268654714 /nfs/dbraw/zinc/65/47/14/1268654714.db2.gz AKTLAGGGQRQBBI-YXJHDRRASA-N 2 1 354.495 0.493 20 0 FCADMP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001553460703 1268654719 /nfs/dbraw/zinc/65/47/19/1268654719.db2.gz AKTLAGGGQRQBBI-YXJHDRRASA-N 2 1 354.495 0.493 20 0 FCADMP CCO[C@H]1COC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553491291 1268658731 /nfs/dbraw/zinc/65/87/31/1268658731.db2.gz UTVFTOGQMSEMCS-TWMKSMIVSA-N 2 1 352.479 0.401 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509451 1268660741 /nfs/dbraw/zinc/66/07/41/1268660741.db2.gz VNEGJPHTKUSKKO-LVQVYYBASA-N 2 1 354.495 0.552 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509451 1268660748 /nfs/dbraw/zinc/66/07/48/1268660748.db2.gz VNEGJPHTKUSKKO-LVQVYYBASA-N 2 1 354.495 0.552 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553513674 1268660939 /nfs/dbraw/zinc/66/09/39/1268660939.db2.gz ZMMPYCIQQZFWTE-MKXGPGLRSA-N 2 1 357.502 0.649 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553513674 1268660951 /nfs/dbraw/zinc/66/09/51/1268660951.db2.gz ZMMPYCIQQZFWTE-MKXGPGLRSA-N 2 1 357.502 0.649 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553528832 1268664839 /nfs/dbraw/zinc/66/48/39/1268664839.db2.gz VHWNOXYUWUFLRK-LMMKCTJWSA-N 2 1 365.522 0.224 20 0 FCADMP CC[C@@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001553641559 1268672290 /nfs/dbraw/zinc/67/22/90/1268672290.db2.gz ORLAAAPIHCPYSU-PBHICJAKSA-N 2 1 363.506 0.979 20 0 FCADMP CC[C@@H](C)[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001553641559 1268672298 /nfs/dbraw/zinc/67/22/98/1268672298.db2.gz ORLAAAPIHCPYSU-PBHICJAKSA-N 2 1 363.506 0.979 20 0 FCADMP C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001340931173 1268714995 /nfs/dbraw/zinc/71/49/95/1268714995.db2.gz WVIOSFUDVLEGIX-OWLYRPNTSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@@H](OC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001340931171 1268715154 /nfs/dbraw/zinc/71/51/54/1268715154.db2.gz WVIOSFUDVLEGIX-NRSFXHEJSA-N 2 1 351.491 0.998 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001341117986 1268792366 /nfs/dbraw/zinc/79/23/66/1268792366.db2.gz CBJFJTRITKNEAM-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001341633322 1269122971 /nfs/dbraw/zinc/12/29/71/1269122971.db2.gz AUDDBJAGHIHITE-OLZOCXBDSA-N 2 1 358.408 0.726 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CSCC[NH2+]2)CC1=O ZINC001341897763 1269256996 /nfs/dbraw/zinc/25/69/96/1269256996.db2.gz NLYQQLKXAZQBCA-BZUAXINKSA-N 2 1 368.547 0.531 20 0 FCADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc2c(c1)CC[NH2+]CC2 ZINC001342042846 1269317074 /nfs/dbraw/zinc/31/70/74/1269317074.db2.gz CPRJYVQKJPQHFG-AZUAARDMSA-N 2 1 359.470 0.330 20 0 FCADMP CCOC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCOCC1 ZINC001342537428 1269504680 /nfs/dbraw/zinc/50/46/80/1269504680.db2.gz YHEPQQXQTCVDSR-CALCHBBNSA-N 2 1 351.491 0.999 20 0 FCADMP CCOC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCOCC1 ZINC001342537428 1269504687 /nfs/dbraw/zinc/50/46/87/1269504687.db2.gz YHEPQQXQTCVDSR-CALCHBBNSA-N 2 1 351.491 0.999 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001566048547 1269580037 /nfs/dbraw/zinc/58/00/37/1269580037.db2.gz SJBKGFMYGSLJMR-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP COCCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001342853396 1269645469 /nfs/dbraw/zinc/64/54/69/1269645469.db2.gz IPKMMPKCVFUDCQ-ZDUSSCGKSA-N 2 1 366.466 0.330 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001343066515 1269754672 /nfs/dbraw/zinc/75/46/72/1269754672.db2.gz XPPJZVJFGZQQSU-KLHDSHLOSA-N 2 1 366.506 0.010 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](O)[C@H](CO)C3)CC2)CC1 ZINC001570401650 1269877013 /nfs/dbraw/zinc/87/70/13/1269877013.db2.gz KNWVEBJHMIZXNH-WMZOPIPTSA-N 2 1 353.507 0.384 20 0 FCADMP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001344032629 1270081306 /nfs/dbraw/zinc/08/13/06/1270081306.db2.gz OVPACSRSRUTWSO-INIZCTEOSA-N 2 1 363.506 0.512 20 0 FCADMP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001344032629 1270081315 /nfs/dbraw/zinc/08/13/15/1270081315.db2.gz OVPACSRSRUTWSO-INIZCTEOSA-N 2 1 363.506 0.512 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001344949894 1270281603 /nfs/dbraw/zinc/28/16/03/1270281603.db2.gz GXQKMSVYSJRJOR-BQFCYCMXSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001573066754 1270588029 /nfs/dbraw/zinc/58/80/29/1270588029.db2.gz APQMPWZMYVACGW-HZPDHXFCSA-N 2 1 359.474 0.593 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976429 1270970478 /nfs/dbraw/zinc/97/04/78/1270970478.db2.gz WGGSMILONBBAMW-BBRMVZONSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209263 1271095205 /nfs/dbraw/zinc/09/52/05/1271095205.db2.gz DGAPWVXPOQEHOM-XJKSGUPXSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251495 1271120411 /nfs/dbraw/zinc/12/04/11/1271120411.db2.gz GETLNHWJVHEFCP-GOSISDBHSA-N 2 1 372.477 0.674 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574255188 1271125576 /nfs/dbraw/zinc/12/55/76/1271125576.db2.gz NOOSHWYTUZPNHH-IRXDYDNUSA-N 2 1 369.473 0.992 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574264757 1271140988 /nfs/dbraw/zinc/14/09/88/1271140988.db2.gz MIYHINZYYKRLEO-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574287926 1271162717 /nfs/dbraw/zinc/16/27/17/1271162717.db2.gz AVFCMQFTGMIKDN-HNNXBMFYSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596460 1271397574 /nfs/dbraw/zinc/39/75/74/1271397574.db2.gz KDJJNHXZOQQYTF-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596460 1271397578 /nfs/dbraw/zinc/39/75/78/1271397578.db2.gz KDJJNHXZOQQYTF-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574598415 1271401861 /nfs/dbraw/zinc/40/18/61/1271401861.db2.gz QJKMWLZKIZYRDW-XJKSGUPXSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599207 1271402337 /nfs/dbraw/zinc/40/23/37/1271402337.db2.gz ZTTVQITUMLLSOR-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574599176 1271402551 /nfs/dbraw/zinc/40/25/51/1271402551.db2.gz UHGCFCSILDJJAU-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574599176 1271402553 /nfs/dbraw/zinc/40/25/53/1271402553.db2.gz UHGCFCSILDJJAU-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001574780183 1271514932 /nfs/dbraw/zinc/51/49/32/1271514932.db2.gz XYJNOGQHVMLUQG-AWEZNQCLSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870871 1271622654 /nfs/dbraw/zinc/62/26/54/1271622654.db2.gz DWQRNCQVJDPTGG-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877478 1271636533 /nfs/dbraw/zinc/63/65/33/1271636533.db2.gz SAZSHMPUTOILNI-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877478 1271636539 /nfs/dbraw/zinc/63/65/39/1271636539.db2.gz SAZSHMPUTOILNI-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877478 1271636550 /nfs/dbraw/zinc/63/65/50/1271636550.db2.gz SAZSHMPUTOILNI-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877478 1271636559 /nfs/dbraw/zinc/63/65/59/1271636559.db2.gz SAZSHMPUTOILNI-RYUDHWBXSA-N 2 1 363.491 0.816 20 0 FCADMP CC(C)(C)OC(=O)NCC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H](O)CO ZINC001575223458 1271821474 /nfs/dbraw/zinc/82/14/74/1271821474.db2.gz IMJAZIULPGPVLG-INIZCTEOSA-N 2 1 359.511 0.946 20 0 FCADMP CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575682061 1272294093 /nfs/dbraw/zinc/29/40/93/1272294093.db2.gz KRKHUNRBQLAGRF-OAHLLOKOSA-N 2 1 363.510 0.668 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1CCC[N@@H+](C)C(C)C ZINC001575711173 1272347963 /nfs/dbraw/zinc/34/79/63/1272347963.db2.gz CGHOYPLLAVJIOE-CABCVRRESA-N 2 1 365.526 0.930 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH3+])C2)n1CCC[N@@H+](C)C(C)C ZINC001575711175 1272349179 /nfs/dbraw/zinc/34/91/79/1272349179.db2.gz CGHOYPLLAVJIOE-HUUCEWRRSA-N 2 1 365.526 0.930 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1c[nH]nn1)CC2)[NH+](C)C ZINC001576182625 1272978529 /nfs/dbraw/zinc/97/85/29/1272978529.db2.gz APBIVDWTRWZFFA-JKSUJKDBSA-N 2 1 364.494 0.632 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486565 1273335160 /nfs/dbraw/zinc/33/51/60/1273335160.db2.gz XOEVFQARPKDYDD-HZPDHXFCSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486565 1273335170 /nfs/dbraw/zinc/33/51/70/1273335170.db2.gz XOEVFQARPKDYDD-HZPDHXFCSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486565 1273335179 /nfs/dbraw/zinc/33/51/79/1273335179.db2.gz XOEVFQARPKDYDD-HZPDHXFCSA-N 2 1 350.467 0.039 20 0 FCADMP CC1=CCN(c2nnc(C3CC[NH2+]CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001576563173 1273444687 /nfs/dbraw/zinc/44/46/87/1273444687.db2.gz UTWBEXMGBZTXRC-LJQANCHMSA-N 2 1 360.506 0.968 20 0 FCADMP CC[C@H](C(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCCOC)CC1)[NH+](C)C ZINC001576615662 1273483487 /nfs/dbraw/zinc/48/34/87/1273483487.db2.gz KTZAIAWNWJTJBX-QGZVFWFLSA-N 2 1 366.510 0.974 20 0 FCADMP C[C@H]1CN(C(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)CC[N@H+]1CC(C)(C)O ZINC001576760018 1273632801 /nfs/dbraw/zinc/63/28/01/1273632801.db2.gz IBXNVUGNWKOXRR-KXBFYZLASA-N 2 1 353.507 0.575 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794290 1273696097 /nfs/dbraw/zinc/69/60/97/1273696097.db2.gz DUELENXRHQOBGK-HZPDHXFCSA-N 2 1 357.462 0.803 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797225 1273701689 /nfs/dbraw/zinc/70/16/89/1273701689.db2.gz UXKZJABDMWNSJJ-HZPDHXFCSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797225 1273701695 /nfs/dbraw/zinc/70/16/95/1273701695.db2.gz UXKZJABDMWNSJJ-HZPDHXFCSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001576801257 1273706747 /nfs/dbraw/zinc/70/67/47/1273706747.db2.gz PWPHBSVQNRYHSZ-CYBMUJFWSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001576801257 1273706755 /nfs/dbraw/zinc/70/67/55/1273706755.db2.gz PWPHBSVQNRYHSZ-CYBMUJFWSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001576802178 1273707188 /nfs/dbraw/zinc/70/71/88/1273707188.db2.gz WKEZRFRBIGTWCJ-CABCVRRESA-N 2 1 354.495 0.982 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1[NH3+] ZINC001576822868 1273744243 /nfs/dbraw/zinc/74/42/43/1273744243.db2.gz AZWPWJPTELPOAY-PMPSAXMXSA-N 2 1 371.489 0.844 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1[NH3+] ZINC001576822868 1273744250 /nfs/dbraw/zinc/74/42/50/1273744250.db2.gz AZWPWJPTELPOAY-PMPSAXMXSA-N 2 1 371.489 0.844 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCCC[C@@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576883699 1273867364 /nfs/dbraw/zinc/86/73/64/1273867364.db2.gz OTLNWKIIOQGVAS-MRXNPFEDSA-N 2 1 364.494 0.429 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902200 1273906255 /nfs/dbraw/zinc/90/62/55/1273906255.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001576902200 1273906261 /nfs/dbraw/zinc/90/62/61/1273906261.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576902200 1273906271 /nfs/dbraw/zinc/90/62/71/1273906271.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902200 1273906275 /nfs/dbraw/zinc/90/62/75/1273906275.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902200 1273906281 /nfs/dbraw/zinc/90/62/81/1273906281.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001576902200 1273906283 /nfs/dbraw/zinc/90/62/83/1273906283.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576902200 1273906288 /nfs/dbraw/zinc/90/62/88/1273906288.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001576903578 1273910384 /nfs/dbraw/zinc/91/03/84/1273910384.db2.gz HNEIWOXOVVRLDY-KRWDZBQOSA-N 2 1 363.510 0.303 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001576903578 1273910393 /nfs/dbraw/zinc/91/03/93/1273910393.db2.gz HNEIWOXOVVRLDY-KRWDZBQOSA-N 2 1 363.510 0.303 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576902882 1273911623 /nfs/dbraw/zinc/91/16/23/1273911623.db2.gz GHEAOACJRZJPSZ-JKSUJKDBSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902882 1273911639 /nfs/dbraw/zinc/91/16/39/1273911639.db2.gz GHEAOACJRZJPSZ-JKSUJKDBSA-N 2 1 362.478 0.181 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576902882 1273911643 /nfs/dbraw/zinc/91/16/43/1273911643.db2.gz GHEAOACJRZJPSZ-JKSUJKDBSA-N 2 1 362.478 0.181 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)c1cn(C2C[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC001577068765 1274133124 /nfs/dbraw/zinc/13/31/24/1274133124.db2.gz IPSZSBKSMYLEJU-MRXNPFEDSA-N 2 1 350.467 0.289 20 0 FCADMP CC[C@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577137626 1274188779 /nfs/dbraw/zinc/18/87/79/1274188779.db2.gz GNJNOWPAINMRPN-CABCVRRESA-N 2 1 352.483 0.288 20 0 FCADMP CC[C@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577149735 1274200720 /nfs/dbraw/zinc/20/07/20/1274200720.db2.gz YRZUYSQSXLZHIK-SOUVJXGZSA-N 2 1 350.467 0.388 20 0 FCADMP CC[C@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577149735 1274200727 /nfs/dbraw/zinc/20/07/27/1274200727.db2.gz YRZUYSQSXLZHIK-SOUVJXGZSA-N 2 1 350.467 0.388 20 0 FCADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001577445468 1274411956 /nfs/dbraw/zinc/41/19/56/1274411956.db2.gz UTEVADRWUXPEAT-GJZGRUSLSA-N 2 1 363.510 0.746 20 0 FCADMP CCC[N@@H+](CC)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCNC(=O)C1 ZINC001577507135 1274460281 /nfs/dbraw/zinc/46/02/81/1274460281.db2.gz FTJHPSSZORJFPW-HNNXBMFYSA-N 2 1 363.510 0.413 20 0 FCADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH2+]CC1 ZINC001577536556 1274478980 /nfs/dbraw/zinc/47/89/80/1274478980.db2.gz ZDKGWYWLOBGXTB-INIZCTEOSA-N 2 1 358.494 0.963 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001577541716 1274482175 /nfs/dbraw/zinc/48/21/75/1274482175.db2.gz CWAXAWXKUPVLLU-GOSISDBHSA-N 2 1 351.495 0.372 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577546810 1274486078 /nfs/dbraw/zinc/48/60/78/1274486078.db2.gz BGDHFLYUXNPBLA-UHFFFAOYSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577551460 1274491763 /nfs/dbraw/zinc/49/17/63/1274491763.db2.gz SKBPWIQJPDYRTM-OAHLLOKOSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577560628 1274508504 /nfs/dbraw/zinc/50/85/04/1274508504.db2.gz GXGZXGXDYJEYFZ-HNNXBMFYSA-N 2 1 360.466 0.578 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577561193 1274509441 /nfs/dbraw/zinc/50/94/41/1274509441.db2.gz SHSXPFFRJPEOTR-LLVKDONJSA-N 2 1 351.480 0.864 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577567793 1274525407 /nfs/dbraw/zinc/52/54/07/1274525407.db2.gz HLIFAGJGMIUXGK-CQSZACIVSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573851 1274537477 /nfs/dbraw/zinc/53/74/77/1274537477.db2.gz FBECKGGSXJHCTM-AWEZNQCLSA-N 2 1 372.477 0.997 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC[NH2+]CC1 ZINC001577637175 1274624688 /nfs/dbraw/zinc/62/46/88/1274624688.db2.gz YCOGFIUCUNIYJF-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669151 1274693662 /nfs/dbraw/zinc/69/36/62/1274693662.db2.gz OWBWOQIQWHBMKN-XJKSGUPXSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577673008 1274703119 /nfs/dbraw/zinc/70/31/19/1274703119.db2.gz GBGZZZDGFDMKLO-OAHLLOKOSA-N 2 1 358.450 0.476 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577673648 1274708565 /nfs/dbraw/zinc/70/85/65/1274708565.db2.gz SYCRDRTWMOXDGM-OAHLLOKOSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001577764262 1274848468 /nfs/dbraw/zinc/84/84/68/1274848468.db2.gz WCGNTBWDHBSCOE-KFWWJZLASA-N 2 1 361.494 0.103 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577780765 1274875793 /nfs/dbraw/zinc/87/57/93/1274875793.db2.gz FMZUDZIUQXPRSJ-KGLIPLIRSA-N 2 1 372.477 0.803 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577849833 1274987282 /nfs/dbraw/zinc/98/72/82/1274987282.db2.gz ZWZZZYIHYJSZKD-CQSZACIVSA-N 2 1 372.477 0.949 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577852565 1274996435 /nfs/dbraw/zinc/99/64/35/1274996435.db2.gz USERMDIVQCNWLD-LRDDRELGSA-N 2 1 372.477 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852237 1274997711 /nfs/dbraw/zinc/99/77/11/1274997711.db2.gz MSWHRHIIPPVSQV-CQSZACIVSA-N 2 1 372.477 0.949 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577859458 1275017732 /nfs/dbraw/zinc/01/77/32/1275017732.db2.gz IBWYHPSZGSIDRE-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862455 1275028425 /nfs/dbraw/zinc/02/84/25/1275028425.db2.gz CCXQIRQETKUSIU-CQSZACIVSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866351 1275043202 /nfs/dbraw/zinc/04/32/02/1275043202.db2.gz FKUZTDQPMARUIJ-LBPRGKRZSA-N 2 1 360.466 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577866141 1275044448 /nfs/dbraw/zinc/04/44/48/1275044448.db2.gz ASHCUFHWZWYKKQ-HNNXBMFYSA-N 2 1 358.450 0.332 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577872369 1275064246 /nfs/dbraw/zinc/06/42/46/1275064246.db2.gz WXQBZNDQKDGBRC-KRWDZBQOSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577872369 1275064251 /nfs/dbraw/zinc/06/42/51/1275064251.db2.gz WXQBZNDQKDGBRC-KRWDZBQOSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577872350 1275065084 /nfs/dbraw/zinc/06/50/84/1275065084.db2.gz WEMOCUCKQWFOGV-QGZVFWFLSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577872350 1275065088 /nfs/dbraw/zinc/06/50/88/1275065088.db2.gz WEMOCUCKQWFOGV-QGZVFWFLSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577873418 1275065885 /nfs/dbraw/zinc/06/58/85/1275065885.db2.gz HYXBMQFCDPJYRW-QGZVFWFLSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577873418 1275065888 /nfs/dbraw/zinc/06/58/88/1275065888.db2.gz HYXBMQFCDPJYRW-QGZVFWFLSA-N 2 1 371.489 0.394 20 0 FCADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1-c1nn[nH]n1 ZINC001578004168 1275263284 /nfs/dbraw/zinc/26/32/84/1275263284.db2.gz BBIYLZLWDILITN-UHFFFAOYSA-N 2 1 357.462 0.901 20 0 FCADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H](C)[NH2+]C ZINC001578133113 1275432826 /nfs/dbraw/zinc/43/28/26/1275432826.db2.gz YHOGSZRKBYJXQF-MAUKXSAKSA-N 2 1 366.510 0.724 20 0 FCADMP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001578206093 1275495473 /nfs/dbraw/zinc/49/54/73/1275495473.db2.gz AGPZGEJYWPAWQU-MRXNPFEDSA-N 2 1 359.536 0.735 20 0 FCADMP CCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[N@@H+](C)CCC[NH3+] ZINC001578304925 1275640529 /nfs/dbraw/zinc/64/05/29/1275640529.db2.gz FRSXOUXEHYTSJL-AWEZNQCLSA-N 2 1 351.499 0.178 20 0 FCADMP CN(C)C(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001578401513 1275775087 /nfs/dbraw/zinc/77/50/87/1275775087.db2.gz LWYXPCGNSMSLIR-CABCVRRESA-N 2 1 361.494 0.465 20 0 FCADMP CN(C)C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412497 1275783478 /nfs/dbraw/zinc/78/34/78/1275783478.db2.gz OBQOKZYGEZVDEZ-IRXDYDNUSA-N 2 1 352.523 0.759 20 0 FCADMP CN(C)C[C@H]1COC2(CCCC2)C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412497 1275783483 /nfs/dbraw/zinc/78/34/83/1275783483.db2.gz OBQOKZYGEZVDEZ-IRXDYDNUSA-N 2 1 352.523 0.759 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001578448395 1275846910 /nfs/dbraw/zinc/84/69/10/1275846910.db2.gz AUIXRVPJSHRLRF-KCQAQPDRSA-N 2 1 370.461 0.687 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001578448395 1275846914 /nfs/dbraw/zinc/84/69/14/1275846914.db2.gz AUIXRVPJSHRLRF-KCQAQPDRSA-N 2 1 370.461 0.687 20 0 FCADMP CN(C[C@@H]1CCOC1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578525967 1275959902 /nfs/dbraw/zinc/95/99/02/1275959902.db2.gz VQRCRWYKGQJOMZ-AFIMGQEJSA-N 2 1 364.494 0.022 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529657 1275961891 /nfs/dbraw/zinc/96/18/91/1275961891.db2.gz WXJRTFUKHRZWRR-CABCVRRESA-N 2 1 351.495 0.323 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529659 1275962491 /nfs/dbraw/zinc/96/24/91/1275962491.db2.gz WXJRTFUKHRZWRR-HUUCEWRRSA-N 2 1 351.495 0.323 20 0 FCADMP COC(=O)C1=C(C)O[C@@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784194 1276265244 /nfs/dbraw/zinc/26/52/44/1276265244.db2.gz RYSUIHXIQDNEKH-MXYBEHONSA-N 2 1 351.403 0.089 20 0 FCADMP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCOC3(CCC([NH3+])CC3)C2)C1=O ZINC001578807341 1276298537 /nfs/dbraw/zinc/29/85/37/1276298537.db2.gz HMSQLEGYQITCID-SWKXRBFHSA-N 2 1 353.463 0.513 20 0 FCADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCOC3(CCC([NH3+])CC3)C2)C1=O ZINC001578807341 1276298539 /nfs/dbraw/zinc/29/85/39/1276298539.db2.gz HMSQLEGYQITCID-SWKXRBFHSA-N 2 1 353.463 0.513 20 0 FCADMP COC(=O)c1cnc([C@@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)s1 ZINC001578883197 1276414184 /nfs/dbraw/zinc/41/41/84/1276414184.db2.gz QHDGGKPVVAVPHO-GFCCVEGCSA-N 2 1 352.460 0.541 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578972406 1276518099 /nfs/dbraw/zinc/51/80/99/1276518099.db2.gz PPKYCLWFIHQBLI-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578972406 1276518101 /nfs/dbraw/zinc/51/81/01/1276518101.db2.gz PPKYCLWFIHQBLI-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001578974380 1276522199 /nfs/dbraw/zinc/52/21/99/1276522199.db2.gz NAESRZMGKJMSIG-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578976521 1276527455 /nfs/dbraw/zinc/52/74/55/1276527455.db2.gz CHNKDFONWKHHOZ-UHFFFAOYSA-N 2 1 357.462 0.853 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578980372 1276540016 /nfs/dbraw/zinc/54/00/16/1276540016.db2.gz IBVGTBRLPORNKN-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001578988507 1276562506 /nfs/dbraw/zinc/56/25/06/1276562506.db2.gz YNYHOHXJTCKZMS-HALDLXJZSA-N 2 1 373.436 0.504 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579009815 1276583801 /nfs/dbraw/zinc/58/38/01/1276583801.db2.gz RKXRTXLNRMTPJE-TXEJJXNPSA-N 2 1 356.434 0.227 20 0 FCADMP COCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001579019262 1276598288 /nfs/dbraw/zinc/59/82/88/1276598288.db2.gz NMAXJJPUTMIMGL-OAGGEKHMSA-N 2 1 366.510 0.676 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH3+])C[C@@H]1C ZINC001579038373 1276622040 /nfs/dbraw/zinc/62/20/40/1276622040.db2.gz GOAQXHMVZPYYEP-CABCVRRESA-N 2 1 374.493 0.487 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579131960 1276821588 /nfs/dbraw/zinc/82/15/88/1276821588.db2.gz HVLZMLHPKFMAFE-LBPRGKRZSA-N 2 1 363.491 0.770 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579131960 1276821599 /nfs/dbraw/zinc/82/15/99/1276821599.db2.gz HVLZMLHPKFMAFE-LBPRGKRZSA-N 2 1 363.491 0.770 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579131558 1276822899 /nfs/dbraw/zinc/82/28/99/1276822899.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579131558 1276822914 /nfs/dbraw/zinc/82/29/14/1276822914.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579131558 1276822928 /nfs/dbraw/zinc/82/29/28/1276822928.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579133648 1276834297 /nfs/dbraw/zinc/83/42/97/1276834297.db2.gz ZQEFPFRQQQQVRW-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579133648 1276834313 /nfs/dbraw/zinc/83/43/13/1276834313.db2.gz ZQEFPFRQQQQVRW-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579133648 1276834334 /nfs/dbraw/zinc/83/43/34/1276834334.db2.gz ZQEFPFRQQQQVRW-MRXNPFEDSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168722 1276921338 /nfs/dbraw/zinc/92/13/38/1276921338.db2.gz IVJQJPZLXPKQPY-CZUORRHYSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172362 1276928264 /nfs/dbraw/zinc/92/82/64/1276928264.db2.gz QPJWDRQFKCDMAN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172362 1276928270 /nfs/dbraw/zinc/92/82/70/1276928270.db2.gz QPJWDRQFKCDMAN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172362 1276928274 /nfs/dbraw/zinc/92/82/74/1276928274.db2.gz QPJWDRQFKCDMAN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579172362 1276928281 /nfs/dbraw/zinc/92/82/81/1276928281.db2.gz QPJWDRQFKCDMAN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579261407 1277059186 /nfs/dbraw/zinc/05/91/86/1277059186.db2.gz PZVXVWHRDDVGSZ-RDJZCZTQSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579261407 1277059189 /nfs/dbraw/zinc/05/91/89/1277059189.db2.gz PZVXVWHRDDVGSZ-RDJZCZTQSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579261407 1277059195 /nfs/dbraw/zinc/05/91/95/1277059195.db2.gz PZVXVWHRDDVGSZ-RDJZCZTQSA-N 2 1 369.473 0.994 20 0 FCADMP COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC001579284721 1277105940 /nfs/dbraw/zinc/10/59/40/1277105940.db2.gz MQHQOZWDTNULDQ-HNNXBMFYSA-N 2 1 351.447 0.033 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713160422 1287267691 /nfs/dbraw/zinc/26/76/91/1287267691.db2.gz KZHBFORWLGJNFF-KBUPBQIOSA-N 2 1 362.478 0.542 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323552 1277140604 /nfs/dbraw/zinc/14/06/04/1277140604.db2.gz VZVBELOADURVGA-GTPINHCMSA-N 2 1 369.473 0.897 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326156 1277150078 /nfs/dbraw/zinc/15/00/78/1277150078.db2.gz MKOZKXGZXDJCQD-SCLBCKFNSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579326238 1277150398 /nfs/dbraw/zinc/15/03/98/1277150398.db2.gz IKRNJQWXCCTITR-IUODEOHRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326968 1277151787 /nfs/dbraw/zinc/15/17/87/1277151787.db2.gz NJHOPNUITNHSMT-GOEBONIOSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579326809 1277152319 /nfs/dbraw/zinc/15/23/19/1277152319.db2.gz MQPRWESWYBGUEV-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327511 1277154321 /nfs/dbraw/zinc/15/43/21/1277154321.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327511 1277154323 /nfs/dbraw/zinc/15/43/23/1277154323.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327511 1277154325 /nfs/dbraw/zinc/15/43/25/1277154325.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579334118 1277170826 /nfs/dbraw/zinc/17/08/26/1277170826.db2.gz CLKNHNXXEOLJKZ-INIZCTEOSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334159 1277170994 /nfs/dbraw/zinc/17/09/94/1277170994.db2.gz DGQLFFBNSXKCCD-CQSZACIVSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334493 1277171067 /nfs/dbraw/zinc/17/10/67/1277171067.db2.gz YAVUZGCPIBGKCE-QWHCGFSZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334493 1277171069 /nfs/dbraw/zinc/17/10/69/1277171069.db2.gz YAVUZGCPIBGKCE-QWHCGFSZSA-N 2 1 356.434 0.298 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579335038 1277173687 /nfs/dbraw/zinc/17/36/87/1277173687.db2.gz MCXONOVLLBFAMD-AWEZNQCLSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335707 1277178088 /nfs/dbraw/zinc/17/80/88/1277178088.db2.gz UFHMQHVBGUIEFN-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335707 1277178090 /nfs/dbraw/zinc/17/80/90/1277178090.db2.gz UFHMQHVBGUIEFN-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579335707 1277178091 /nfs/dbraw/zinc/17/80/91/1277178091.db2.gz UFHMQHVBGUIEFN-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579340026 1277185682 /nfs/dbraw/zinc/18/56/82/1277185682.db2.gz PJESKYFLNFPHPP-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579345240 1277196340 /nfs/dbraw/zinc/19/63/40/1277196340.db2.gz KFPSWJKUYRMSGW-OAHLLOKOSA-N 2 1 369.473 0.757 20 0 FCADMP CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@H](O)C1CC[NH2+]CC1)C2 ZINC001579347586 1277201362 /nfs/dbraw/zinc/20/13/62/1277201362.db2.gz HBWKOHAJNMAVCL-KRWDZBQOSA-N 2 1 353.488 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347315 1277201420 /nfs/dbraw/zinc/20/14/20/1277201420.db2.gz AXLMUKBESBEMHM-IHRRRGAJSA-N 2 1 370.461 0.332 20 0 FCADMP CS(=O)(=O)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC001579350343 1277205826 /nfs/dbraw/zinc/20/58/26/1277205826.db2.gz ONBAFCQVNYQSEA-NSHDSACASA-N 2 1 355.382 0.609 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353124 1277209505 /nfs/dbraw/zinc/20/95/05/1277209505.db2.gz DWCZXHNDIPJZJV-CZUORRHYSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354286 1277217106 /nfs/dbraw/zinc/21/71/06/1277217106.db2.gz YCURQHMLKIACMB-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359142 1277231351 /nfs/dbraw/zinc/23/13/51/1277231351.db2.gz OWOZQQBMZFBPIL-WOMSROEHSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359519 1277232860 /nfs/dbraw/zinc/23/28/60/1277232860.db2.gz WMKRRXDAWYMWCT-BDVYOWHSSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359691 1277233512 /nfs/dbraw/zinc/23/35/12/1277233512.db2.gz ZWRWOPXWVCQLLN-OAHLLOKOSA-N 2 1 370.461 0.476 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362793 1277240775 /nfs/dbraw/zinc/24/07/75/1277240775.db2.gz SWKPRYKZJFEWHK-ZIAGYGMSSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362793 1277240781 /nfs/dbraw/zinc/24/07/81/1277240781.db2.gz SWKPRYKZJFEWHK-ZIAGYGMSSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579363203 1277241615 /nfs/dbraw/zinc/24/16/15/1277241615.db2.gz XXRDTLXPRRGNJT-HYVNUMGLSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363112 1277242440 /nfs/dbraw/zinc/24/24/40/1277242440.db2.gz WCZXGOGHGVFPIV-IIAWOOMASA-N 2 1 373.436 0.837 20 0 FCADMP Cc1cccc(-c2nnc(N3CC[C@@H]([NH3+])C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001579745631 1277855637 /nfs/dbraw/zinc/85/56/37/1277855637.db2.gz SSQJKYYKWZUHEF-HZPDHXFCSA-N 2 1 371.489 0.907 20 0 FCADMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015151 1277991307 /nfs/dbraw/zinc/99/13/07/1277991307.db2.gz NQNHZEMBXOBXIW-OCCSQVGLSA-N 2 1 373.461 0.421 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089130 1278003719 /nfs/dbraw/zinc/00/37/19/1278003719.db2.gz LBICLJLDKXZBKG-IAGOWNOFSA-N 2 1 356.470 0.610 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580277273 1278070966 /nfs/dbraw/zinc/07/09/66/1278070966.db2.gz KFZAJAVPJRHYSJ-RYUDHWBXSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580278773 1278075794 /nfs/dbraw/zinc/07/57/94/1278075794.db2.gz FVPFFXGSYPGAAM-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC[NH+]1CCOCC1 ZINC001580279788 1278078154 /nfs/dbraw/zinc/07/81/54/1278078154.db2.gz HCFRGJNLSVPOAS-AWEZNQCLSA-N 2 1 373.461 0.183 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940503 1279148083 /nfs/dbraw/zinc/14/80/83/1279148083.db2.gz AIVSVAPSDWDLNG-OCCSQVGLSA-N 2 1 372.477 0.853 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942758 1279151121 /nfs/dbraw/zinc/15/11/21/1279151121.db2.gz ZPEPSLDNBNZXKR-HIFRSBDPSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580968031 1279168989 /nfs/dbraw/zinc/16/89/89/1279168989.db2.gz GLNISPDRMRZPMP-AWEZNQCLSA-N 2 1 370.461 0.561 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994162 1279200658 /nfs/dbraw/zinc/20/06/58/1279200658.db2.gz QPBSSLICFIDLGO-CJNGLKHVSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994163 1279201707 /nfs/dbraw/zinc/20/17/07/1279201707.db2.gz QPBSSLICFIDLGO-CZUORRHYSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NC2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002010 1279217269 /nfs/dbraw/zinc/21/72/69/1279217269.db2.gz MFRPGXLMCGKHQW-ZUEPYMLJSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008551 1279233094 /nfs/dbraw/zinc/23/30/94/1279233094.db2.gz LPAAQSWMGKQQBK-WBMJQRKESA-N 2 1 372.477 0.591 20 0 FCADMP Cc1cc(NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018798 1279250536 /nfs/dbraw/zinc/25/05/36/1279250536.db2.gz BPPOUJWFHFKCCR-ROKHWSDSSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026506 1279259913 /nfs/dbraw/zinc/25/99/13/1279259913.db2.gz LVXHFGYIMBDLNL-STQMWFEESA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027085 1279261756 /nfs/dbraw/zinc/26/17/56/1279261756.db2.gz LKVQSCVGVMPUPI-ZDUSSCGKSA-N 2 1 358.450 0.204 20 0 FCADMP Cc1cc(NCCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027846 1279263404 /nfs/dbraw/zinc/26/34/04/1279263404.db2.gz YXQCKMKPRPNPFS-INIZCTEOSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(NCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028452 1279264426 /nfs/dbraw/zinc/26/44/26/1279264426.db2.gz YLKPLVDDUVDGLQ-UHFFFAOYSA-N 2 1 374.493 0.840 20 0 FCADMP Cc1cc(NC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031904 1279269221 /nfs/dbraw/zinc/26/92/21/1279269221.db2.gz MQEQBUWQJHYHTA-YPMHNXCESA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038455 1279275201 /nfs/dbraw/zinc/27/52/01/1279275201.db2.gz MFRPGXLMCGKHQW-XJKCOSOUSA-N 2 1 370.461 0.393 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001715227913 1287346620 /nfs/dbraw/zinc/34/66/20/1287346620.db2.gz GWKCZFCABQQEIP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001603459666 1287377645 /nfs/dbraw/zinc/37/76/45/1287377645.db2.gz XJLAVDUJCNFQEZ-QWHCGFSZSA-N 2 1 372.477 0.863 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581563836 1280141939 /nfs/dbraw/zinc/14/19/39/1280141939.db2.gz SGWJGTKVBFOQQJ-ZDUSSCGKSA-N 2 1 368.445 0.914 20 0 FCADMP CCNC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717002443 1287400170 /nfs/dbraw/zinc/40/01/70/1287400170.db2.gz UJRXMXKHKHOUMW-QBPKDAKJSA-N 2 1 352.523 0.975 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581949700 1280781719 /nfs/dbraw/zinc/78/17/19/1280781719.db2.gz MKMDUALXDSCONO-OAHLLOKOSA-N 2 1 368.445 0.252 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582046734 1280968437 /nfs/dbraw/zinc/96/84/37/1280968437.db2.gz WSRLADSTAAQCMX-CQSZACIVSA-N 2 1 370.461 0.833 20 0 FCADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582100937 1281058475 /nfs/dbraw/zinc/05/84/75/1281058475.db2.gz WCKORGMCOAWZJG-HNNXBMFYSA-N 2 1 369.473 0.901 20 0 FCADMP C[C@@]1(CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC[NH2+]C1 ZINC001603802717 1287502379 /nfs/dbraw/zinc/50/23/79/1287502379.db2.gz PFEAOAKHXRDYBP-CRAIPNDOSA-N 2 1 355.446 0.559 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@@H+]1C ZINC001603855011 1287521558 /nfs/dbraw/zinc/52/15/58/1287521558.db2.gz MDMWIDJOOBSUSG-SRCQZFHVSA-N 2 1 369.473 0.995 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[N@H+]1C ZINC001603855011 1287521560 /nfs/dbraw/zinc/52/15/60/1287521560.db2.gz MDMWIDJOOBSUSG-SRCQZFHVSA-N 2 1 369.473 0.995 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001589716719 1282957734 /nfs/dbraw/zinc/95/77/34/1282957734.db2.gz LGAYUEOAZZCHAW-CZUORRHYSA-N 2 1 370.461 0.569 20 0 FCADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@@H]1C[NH3+] ZINC001590190699 1283293896 /nfs/dbraw/zinc/29/38/96/1283293896.db2.gz NIZCEMBQTZJPNM-PZNPJNSTSA-N 2 1 369.473 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001680808655 1283445870 /nfs/dbraw/zinc/44/58/70/1283445870.db2.gz YJNWPHYKGCAUQG-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(=O)[nH]n1 ZINC001681411229 1283494020 /nfs/dbraw/zinc/49/40/20/1283494020.db2.gz FRFCOVKPWWFUEP-OAHLLOKOSA-N 2 1 350.467 0.740 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733021 1283768845 /nfs/dbraw/zinc/76/88/45/1283768845.db2.gz KKYVRWKMHHAMIR-APHBUQMISA-N 2 1 370.461 0.642 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070893 1284131787 /nfs/dbraw/zinc/13/17/87/1284131787.db2.gz GXDRYHVXXIBVHS-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070893 1284131795 /nfs/dbraw/zinc/13/17/95/1284131795.db2.gz GXDRYHVXXIBVHS-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591070893 1284131801 /nfs/dbraw/zinc/13/18/01/1284131801.db2.gz GXDRYHVXXIBVHS-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001591171213 1284254870 /nfs/dbraw/zinc/25/48/70/1284254870.db2.gz AHQKQCIHFIEHKD-ZDUSSCGKSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001591175228 1284263796 /nfs/dbraw/zinc/26/37/96/1284263796.db2.gz JZXVQCICLGJHDL-AWEZNQCLSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001591175228 1284263805 /nfs/dbraw/zinc/26/38/05/1284263805.db2.gz JZXVQCICLGJHDL-AWEZNQCLSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175693 1284264927 /nfs/dbraw/zinc/26/49/27/1284264927.db2.gz RNUJGYVZSFFZID-XIRDDKMYSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591175340 1284267628 /nfs/dbraw/zinc/26/76/28/1284267628.db2.gz LOOKPUWGVVKOMV-RGDDUWESSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175594 1284267804 /nfs/dbraw/zinc/26/78/04/1284267804.db2.gz QDSJZTOIMLZXSU-QWHCGFSZSA-N 2 1 356.434 0.156 20 0 FCADMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)c1cc(C[NH3+])ccn1 ZINC001604637963 1287699882 /nfs/dbraw/zinc/69/98/82/1287699882.db2.gz LSINAEJGZYTXCI-MRXNPFEDSA-N 2 1 364.413 0.570 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591176645 1284269273 /nfs/dbraw/zinc/26/92/73/1284269273.db2.gz SCPYMBXNVQHZCQ-OAHLLOKOSA-N 2 1 357.462 0.804 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187318 1284299539 /nfs/dbraw/zinc/29/95/39/1284299539.db2.gz NCQSRDGGNGRSGY-YPQKKHBXSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001591192756 1284310775 /nfs/dbraw/zinc/31/07/75/1284310775.db2.gz HZBJIHFNXYNXGR-UHFFFAOYSA-N 2 1 369.477 0.584 20 0 FCADMP C[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591760738 1284889513 /nfs/dbraw/zinc/88/95/13/1284889513.db2.gz ZWEBVTAWEKFWCY-CYBMUJFWSA-N 2 1 358.450 0.431 20 0 FCADMP Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC001591963996 1285031338 /nfs/dbraw/zinc/03/13/38/1285031338.db2.gz WAEJPJICGQIDPO-UHFFFAOYSA-N 2 1 372.473 0.834 20 0 FCADMP Cc1cc(NCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049192 1285095748 /nfs/dbraw/zinc/09/57/48/1285095748.db2.gz KGMQOLSDXWJLAC-CJNGLKHVSA-N 2 1 370.461 0.537 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001604849232 1287797057 /nfs/dbraw/zinc/79/70/57/1287797057.db2.gz GBOCUDNOWGEOMH-BZUAXINKSA-N 2 1 355.446 0.555 20 0 FCADMP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001604849409 1287797873 /nfs/dbraw/zinc/79/78/73/1287797873.db2.gz LRTGGHCCSCDCQU-ZDUSSCGKSA-N 2 1 358.450 0.286 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@H]21 ZINC001592740922 1285658084 /nfs/dbraw/zinc/65/80/84/1285658084.db2.gz JPSLOCRUTXBMFW-MWQQHZPXSA-N 2 1 367.457 0.639 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(F)ccc3-c3nn[nH]n3)nn2)CC1 ZINC001592742948 1285661131 /nfs/dbraw/zinc/66/11/31/1285661131.db2.gz WXXZBLVNVFVSEQ-UHFFFAOYSA-N 2 1 371.424 0.611 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742281 1285661311 /nfs/dbraw/zinc/66/13/11/1285661311.db2.gz ZAGOWSWTNALJFA-CFMVVWHZSA-N 2 1 353.430 0.392 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001702419201 1285661602 /nfs/dbraw/zinc/66/16/02/1285661602.db2.gz DMTYQFAHZAXNBG-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CCC[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)CC[NH+](C)C ZINC001609267801 1289031448 /nfs/dbraw/zinc/03/14/48/1289031448.db2.gz NNMIOLZLEQFZIW-QGZVFWFLSA-N 2 1 361.494 0.715 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994646 1285878699 /nfs/dbraw/zinc/87/86/99/1285878699.db2.gz FELFOEZQMRMMDJ-HOTGVXAUSA-N 2 1 367.457 0.844 20 0 FCADMP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001593075800 1285971809 /nfs/dbraw/zinc/97/18/09/1285971809.db2.gz DRFHAMQFXXUBMA-CJNGLKHVSA-N 2 1 370.461 0.619 20 0 FCADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001593507933 1286186256 /nfs/dbraw/zinc/18/62/56/1286186256.db2.gz LYMWYLMGMGEWNR-YQQAZPJKSA-N 2 1 358.446 0.680 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001735945024 1289067306 /nfs/dbraw/zinc/06/73/06/1289067306.db2.gz JLJFNZPISFSVGZ-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001735945024 1289067313 /nfs/dbraw/zinc/06/73/13/1289067313.db2.gz JLJFNZPISFSVGZ-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001735945024 1289067316 /nfs/dbraw/zinc/06/73/16/1289067316.db2.gz JLJFNZPISFSVGZ-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CC[N@H+]1C ZINC001735992383 1289113783 /nfs/dbraw/zinc/11/37/83/1289113783.db2.gz AGDUVKMNBQIHMM-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001707225797 1287073370 /nfs/dbraw/zinc/07/33/70/1287073370.db2.gz ZKOSDQPEGDBLGC-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001707225797 1287073376 /nfs/dbraw/zinc/07/33/76/1287073376.db2.gz ZKOSDQPEGDBLGC-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001707225797 1287073386 /nfs/dbraw/zinc/07/33/86/1287073386.db2.gz ZKOSDQPEGDBLGC-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@@H]3C2)nn1 ZINC001707227365 1287077617 /nfs/dbraw/zinc/07/76/17/1287077617.db2.gz ULWJBIUDYOAXLU-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@@H]3C2)nn1 ZINC001707227365 1287077631 /nfs/dbraw/zinc/07/76/31/1287077631.db2.gz ULWJBIUDYOAXLU-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001710273146 1287169537 /nfs/dbraw/zinc/16/95/37/1287169537.db2.gz VELSYUVOEQPPKZ-LSDHHAIUSA-N 2 1 365.526 0.897 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605093684 1287877753 /nfs/dbraw/zinc/87/77/53/1287877753.db2.gz CKEGHPZRVZSSEQ-INIZCTEOSA-N 2 1 373.461 0.138 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605093684 1287877759 /nfs/dbraw/zinc/87/77/59/1287877759.db2.gz CKEGHPZRVZSSEQ-INIZCTEOSA-N 2 1 373.461 0.138 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001605436190 1287962646 /nfs/dbraw/zinc/96/26/46/1287962646.db2.gz VLSDTDKSCITYMR-GFCCVEGCSA-N 2 1 360.466 0.578 20 0 FCADMP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732813 1288065216 /nfs/dbraw/zinc/06/52/16/1288065216.db2.gz VRISCYYGSFDJOT-KBPBESRZSA-N 2 1 370.461 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(S(C)(=O)=O)o3)CC2)CC[N@@H+]1C ZINC001723516612 1288425076 /nfs/dbraw/zinc/42/50/76/1288425076.db2.gz AMCRACBIDDPXKD-TZMCWYRMSA-N 2 1 369.487 0.762 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(S(C)(=O)=O)o3)CC2)CC[N@H+]1C ZINC001723516612 1288425079 /nfs/dbraw/zinc/42/50/79/1288425079.db2.gz AMCRACBIDDPXKD-TZMCWYRMSA-N 2 1 369.487 0.762 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C12CC[NH+](CC1)C2 ZINC001606745011 1288484202 /nfs/dbraw/zinc/48/42/02/1288484202.db2.gz OFYCNHGHQBBEDI-INIZCTEOSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C12CC[NH+](CC1)C2 ZINC001606745011 1288484209 /nfs/dbraw/zinc/48/42/09/1288484209.db2.gz OFYCNHGHQBBEDI-INIZCTEOSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001606780930 1288512419 /nfs/dbraw/zinc/51/24/19/1288512419.db2.gz RCWNTSOVBOPGDB-SWLSCSKDSA-N 2 1 356.434 0.229 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001727551502 1288517013 /nfs/dbraw/zinc/51/70/13/1288517013.db2.gz ISCHKCFJJYTWMH-HOTGVXAUSA-N 2 1 350.511 0.949 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NCC ZINC001731865182 1288568954 /nfs/dbraw/zinc/56/89/54/1288568954.db2.gz WFHDMIBFVPAXKN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NCC ZINC001731865182 1288568956 /nfs/dbraw/zinc/56/89/56/1288568956.db2.gz WFHDMIBFVPAXKN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NCC ZINC001731865182 1288568958 /nfs/dbraw/zinc/56/89/58/1288568958.db2.gz WFHDMIBFVPAXKN-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP O=S(=O)(CC[NH2+][C@H]1CCc2c[nH+]cn2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001607057863 1288628219 /nfs/dbraw/zinc/62/82/19/1288628219.db2.gz PCMOCIDDKUONHH-ZDUSSCGKSA-N 2 1 373.442 0.442 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001735722034 1288799141 /nfs/dbraw/zinc/79/91/41/1288799141.db2.gz OVMPSMPNZAJXEO-LZLYRXPVSA-N 2 1 352.523 0.974 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001692087116 1289395087 /nfs/dbraw/zinc/39/50/87/1289395087.db2.gz ZPRXWIUJMRBKGR-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP CO[C@@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001692130295 1289402031 /nfs/dbraw/zinc/40/20/31/1289402031.db2.gz HOAREAJSCJZXSK-OUCADQQQSA-N 2 1 351.451 0.263 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001692281143 1289441316 /nfs/dbraw/zinc/44/13/16/1289441316.db2.gz STALAYDLZGKOOZ-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001692278260 1289441466 /nfs/dbraw/zinc/44/14/66/1289441466.db2.gz ZVJZARGYGYLVTR-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001698747440 1289535024 /nfs/dbraw/zinc/53/50/24/1289535024.db2.gz DKWLKIAEGRGRAK-BFHYXJOUSA-N 2 1 369.510 0.293 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001699650612 1289559566 /nfs/dbraw/zinc/55/95/66/1289559566.db2.gz BBUYNEMWWRELJT-OWCLPIDISA-N 2 1 366.506 0.250 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H]3CCN(C(C)C)C3=O)CC2)CC[N@H+]1C ZINC001699651812 1289560337 /nfs/dbraw/zinc/56/03/37/1289560337.db2.gz RWTSALNEFNWJRV-HRCADAONSA-N 2 1 350.507 0.964 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001616946008 1289802276 /nfs/dbraw/zinc/80/22/76/1289802276.db2.gz CJEIYDSWESZKPW-CABCVRRESA-N 2 1 352.483 0.286 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001616946008 1289802291 /nfs/dbraw/zinc/80/22/91/1289802291.db2.gz CJEIYDSWESZKPW-CABCVRRESA-N 2 1 352.483 0.286 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CCOC)CC2)n1CC[NH+]1CCCC1 ZINC001616942940 1289802589 /nfs/dbraw/zinc/80/25/89/1289802589.db2.gz FPFQQCWEDSRYFE-UHFFFAOYSA-N 2 1 366.510 0.679 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H](C)[NH+](C)C ZINC001616940491 1289803954 /nfs/dbraw/zinc/80/39/54/1289803954.db2.gz KTAJWHIRJWJXEG-OAHLLOKOSA-N 2 1 354.499 0.533 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1OC ZINC001702319999 1290037094 /nfs/dbraw/zinc/03/70/94/1290037094.db2.gz IZMHEAARBZFRJS-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1OC ZINC001702319999 1290037102 /nfs/dbraw/zinc/03/71/02/1290037102.db2.gz IZMHEAARBZFRJS-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OC ZINC001702319999 1290037113 /nfs/dbraw/zinc/03/71/13/1290037113.db2.gz IZMHEAARBZFRJS-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741852132 1290562057 /nfs/dbraw/zinc/56/20/57/1290562057.db2.gz OMDPZXORSXZVQO-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741852132 1290562065 /nfs/dbraw/zinc/56/20/65/1290562065.db2.gz OMDPZXORSXZVQO-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](CO)[C@H](CO)C3)CC2)CC1 ZINC001630401827 1290666349 /nfs/dbraw/zinc/66/63/49/1290666349.db2.gz YGVMDTVHGAJMOG-IRXDYDNUSA-N 2 1 353.507 0.242 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]32)C1 ZINC001757248009 1290750214 /nfs/dbraw/zinc/75/02/14/1290750214.db2.gz ZHEJBFNJSDEGET-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001757529181 1290781850 /nfs/dbraw/zinc/78/18/50/1290781850.db2.gz UQGBQRJGHFVNLP-PMPSAXMXSA-N 2 1 367.469 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cccs3)C2)CC[N@H+]1C ZINC001661426700 1291693821 /nfs/dbraw/zinc/69/38/21/1291693821.db2.gz JNZRGYFRSCSHHQ-IXYNUQLISA-N 2 1 364.515 0.941 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001661426565 1291694017 /nfs/dbraw/zinc/69/40/17/1291694017.db2.gz CUMNJDYFSOMFEQ-KBUPBQIOSA-N 2 1 357.520 0.388 20 0 FCADMP CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435681 1291965654 /nfs/dbraw/zinc/96/56/54/1291965654.db2.gz OOWMWZJFOAJDDR-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782427 1292282069 /nfs/dbraw/zinc/28/20/69/1292282069.db2.gz JBQLVXNPQZWOPO-IRXDYDNUSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782427 1292282077 /nfs/dbraw/zinc/28/20/77/1292282077.db2.gz JBQLVXNPQZWOPO-IRXDYDNUSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782427 1292282085 /nfs/dbraw/zinc/28/20/85/1292282085.db2.gz JBQLVXNPQZWOPO-IRXDYDNUSA-N 2 1 355.527 0.016 20 0 FCADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001679408582 1292303462 /nfs/dbraw/zinc/30/34/62/1292303462.db2.gz DETROLLMSQJOAP-SJLPKXTDSA-N 2 1 368.522 0.633 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001685620100 1292575393 /nfs/dbraw/zinc/57/53/93/1292575393.db2.gz USZYFSXVYVNSKF-KURKYZTESA-N 2 1 368.522 0.510 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001689036294 1294581603 /nfs/dbraw/zinc/58/16/03/1294581603.db2.gz SNCATMMTQOWVPZ-KSZLIROESA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001689036294 1294581610 /nfs/dbraw/zinc/58/16/10/1294581610.db2.gz SNCATMMTQOWVPZ-KSZLIROESA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001689036295 1294582204 /nfs/dbraw/zinc/58/22/04/1294582204.db2.gz SNCATMMTQOWVPZ-RCCFBDPRSA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001689036295 1294582213 /nfs/dbraw/zinc/58/22/13/1294582213.db2.gz SNCATMMTQOWVPZ-RCCFBDPRSA-N 2 1 363.506 0.825 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689074597 1294596401 /nfs/dbraw/zinc/59/64/01/1294596401.db2.gz JOZYVKQZTYASNB-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001689230112 1294688216 /nfs/dbraw/zinc/68/82/16/1294688216.db2.gz OCDDCIXMGUMYCS-OAGGEKHMSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001689245128 1294703372 /nfs/dbraw/zinc/70/33/72/1294703372.db2.gz OLBHPJDTZHOTJB-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)[C@@H]2CCCN(C)C2=O)CC[NH+]1C ZINC001689245128 1294703382 /nfs/dbraw/zinc/70/33/82/1294703382.db2.gz OLBHPJDTZHOTJB-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)[C@@H]2CCCN(C)C2=O)CC[NH+]1C ZINC001689245128 1294703394 /nfs/dbraw/zinc/70/33/94/1294703394.db2.gz OLBHPJDTZHOTJB-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001689296768 1294724588 /nfs/dbraw/zinc/72/45/88/1294724588.db2.gz YWPSOEVYSXGKEU-CABCVRRESA-N 2 1 353.511 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001689296768 1294724594 /nfs/dbraw/zinc/72/45/94/1294724594.db2.gz YWPSOEVYSXGKEU-CABCVRRESA-N 2 1 353.511 0.757 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC001689323332 1294745628 /nfs/dbraw/zinc/74/56/28/1294745628.db2.gz FAKKDTDZUYNZJV-RDBSUJKOSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC001689323332 1294745634 /nfs/dbraw/zinc/74/56/34/1294745634.db2.gz FAKKDTDZUYNZJV-RDBSUJKOSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001689349547 1294766047 /nfs/dbraw/zinc/76/60/47/1294766047.db2.gz JTDDWIWNXCMDMG-XQJUWPJRSA-N 2 1 366.506 0.226 20 0 FCADMP COCCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690656969 1294879207 /nfs/dbraw/zinc/87/92/07/1294879207.db2.gz DBMNQVDDDOAJCM-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001691837678 1294935537 /nfs/dbraw/zinc/93/55/37/1294935537.db2.gz LOOJOVQATKPNQX-KMFMINBZSA-N 2 1 361.490 0.717 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164766401 721075468 /nfs/dbraw/zinc/07/54/68/721075468.db2.gz KETJVTAKDSZUGX-DLBZAZTESA-N 2 1 367.501 0.857 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164765735 721165125 /nfs/dbraw/zinc/16/51/25/721165125.db2.gz IDYRALTXHANCFL-DOTOQJQBSA-N 2 1 353.474 0.814 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006283 837593910 /nfs/dbraw/zinc/59/39/10/837593910.db2.gz NSTRUGHSBOCKSB-OWCLPIDISA-N 2 1 350.467 0.139 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006283 837593916 /nfs/dbraw/zinc/59/39/16/837593916.db2.gz NSTRUGHSBOCKSB-OWCLPIDISA-N 2 1 350.467 0.139 20 0 FCADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006283 837593920 /nfs/dbraw/zinc/59/39/20/837593920.db2.gz NSTRUGHSBOCKSB-OWCLPIDISA-N 2 1 350.467 0.139 20 0 FCADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006283 837593927 /nfs/dbraw/zinc/59/39/27/837593927.db2.gz NSTRUGHSBOCKSB-OWCLPIDISA-N 2 1 350.467 0.139 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382735 837651120 /nfs/dbraw/zinc/65/11/20/837651120.db2.gz OQZARRIQECYNNU-NUJGCVRESA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)O1 ZINC001070927149 837703359 /nfs/dbraw/zinc/70/33/59/837703359.db2.gz WVFJQHRYUUXWEK-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)O1 ZINC001070927149 837703364 /nfs/dbraw/zinc/70/33/64/837703364.db2.gz WVFJQHRYUUXWEK-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001071062174 837721154 /nfs/dbraw/zinc/72/11/54/837721154.db2.gz OFLMFMDNSMAIEW-BJZITVGISA-N 2 1 353.507 0.837 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101257481 844122666 /nfs/dbraw/zinc/12/26/66/844122666.db2.gz WMRQRVDNTVCFSI-RKVPGOIHSA-N 2 1 356.486 0.535 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272653 844127444 /nfs/dbraw/zinc/12/74/44/844127444.db2.gz WSGVUUSTLBPBQY-AYBZRNKSSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272601 844127892 /nfs/dbraw/zinc/12/78/92/844127892.db2.gz UBZDAMMKNSFNAS-AYBZRNKSSA-N 2 1 352.523 0.831 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101277656 844130229 /nfs/dbraw/zinc/13/02/29/844130229.db2.gz RYFQUFDQUNZWEX-MDZRGWNJSA-N 2 1 352.523 0.974 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=S)NCCC[NH+]1CCOCC1 ZINC000746553181 836189377 /nfs/dbraw/zinc/18/93/77/836189377.db2.gz YDXYOJAXLLFZQU-ZACQAIPSSA-N 2 1 370.563 0.767 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@@]2(C)C1 ZINC001101351350 844154251 /nfs/dbraw/zinc/15/42/51/844154251.db2.gz DZMDCEVPCZPCIG-WBVHZDCISA-N 2 1 371.547 0.543 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351836 844155339 /nfs/dbraw/zinc/15/53/39/844155339.db2.gz NUYIPQMDUYERQP-QAPCUYQASA-N 2 1 353.511 0.426 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393903 844173746 /nfs/dbraw/zinc/17/37/46/844173746.db2.gz KZLSEDUDRPMKLF-SCTDSRPQSA-N 2 1 353.507 0.650 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393903 844173757 /nfs/dbraw/zinc/17/37/57/844173757.db2.gz KZLSEDUDRPMKLF-SCTDSRPQSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101418432 844179912 /nfs/dbraw/zinc/17/99/12/844179912.db2.gz QVZWKFCYFUTQLE-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101418432 844179915 /nfs/dbraw/zinc/17/99/15/844179915.db2.gz QVZWKFCYFUTQLE-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101418432 844179917 /nfs/dbraw/zinc/17/99/17/844179917.db2.gz QVZWKFCYFUTQLE-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001059678516 836639785 /nfs/dbraw/zinc/63/97/85/836639785.db2.gz VGFHRIIXUFAVOL-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461732 844192553 /nfs/dbraw/zinc/19/25/53/844192553.db2.gz QSSKLGUTIOLGIW-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473337 844198480 /nfs/dbraw/zinc/19/84/80/844198480.db2.gz QOCYMOSRKNQKLC-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474279 844198903 /nfs/dbraw/zinc/19/89/03/844198903.db2.gz QVIDWPQOUIRMSC-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001065212575 836823309 /nfs/dbraw/zinc/82/33/09/836823309.db2.gz QAJFGKHZRQRMKH-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076574940 838018290 /nfs/dbraw/zinc/01/82/90/838018290.db2.gz SHXFQKJHZKPURY-IXDOHACOSA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076574940 838018301 /nfs/dbraw/zinc/01/83/01/838018301.db2.gz SHXFQKJHZKPURY-IXDOHACOSA-N 2 1 369.531 0.440 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999331 838205793 /nfs/dbraw/zinc/20/57/93/838205793.db2.gz NNASSQDASJTWRK-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999388 838205888 /nfs/dbraw/zinc/20/58/88/838205888.db2.gz PUVAHRVPXXHDPG-IAGOWNOFSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999388 838205900 /nfs/dbraw/zinc/20/59/00/838205900.db2.gz PUVAHRVPXXHDPG-IAGOWNOFSA-N 2 1 353.507 0.981 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007692 838212494 /nfs/dbraw/zinc/21/24/94/838212494.db2.gz YIYQRHYETAEBFR-BRWVUGGUSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007692 838212505 /nfs/dbraw/zinc/21/25/05/838212505.db2.gz YIYQRHYETAEBFR-BRWVUGGUSA-N 2 1 364.515 0.763 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2C)CC[N@H+]1C ZINC001101983976 844361345 /nfs/dbraw/zinc/36/13/45/844361345.db2.gz TUACMRXQAXDKRY-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2C)CC[NH+]1C ZINC001101983976 844361352 /nfs/dbraw/zinc/36/13/52/844361352.db2.gz TUACMRXQAXDKRY-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2C)CC[NH+]1C ZINC001101983976 844361365 /nfs/dbraw/zinc/36/13/65/844361365.db2.gz TUACMRXQAXDKRY-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)O1 ZINC001077220594 838824728 /nfs/dbraw/zinc/82/47/28/838824728.db2.gz PJIDWVBPIIGCBV-MWQQHZPXSA-N 2 1 367.515 0.561 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)O1 ZINC001077220594 838824740 /nfs/dbraw/zinc/82/47/40/838824740.db2.gz PJIDWVBPIIGCBV-MWQQHZPXSA-N 2 1 367.515 0.561 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2O)O1 ZINC001077220594 838824754 /nfs/dbraw/zinc/82/47/54/838824754.db2.gz PJIDWVBPIIGCBV-MWQQHZPXSA-N 2 1 367.515 0.561 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)O1 ZINC001077220594 838824769 /nfs/dbraw/zinc/82/47/69/838824769.db2.gz PJIDWVBPIIGCBV-MWQQHZPXSA-N 2 1 367.515 0.561 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102015625 844374136 /nfs/dbraw/zinc/37/41/36/844374136.db2.gz MIWMWGFWQLQGRC-RBSFLKMASA-N 2 1 365.515 0.395 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102015625 844374149 /nfs/dbraw/zinc/37/41/49/844374149.db2.gz MIWMWGFWQLQGRC-RBSFLKMASA-N 2 1 365.515 0.395 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001102015723 844375930 /nfs/dbraw/zinc/37/59/30/844375930.db2.gz PEAREZUQABNRJQ-FMKPAKJESA-N 2 1 356.486 0.629 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001077505215 839003917 /nfs/dbraw/zinc/00/39/17/839003917.db2.gz UULMXWDUGJFWPA-BRWVUGGUSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077582722 839053665 /nfs/dbraw/zinc/05/36/65/839053665.db2.gz QLWYZNLVHWZVQQ-NUEKZKHPSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077582722 839053678 /nfs/dbraw/zinc/05/36/78/839053678.db2.gz QLWYZNLVHWZVQQ-NUEKZKHPSA-N 2 1 351.447 0.543 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047391 844394646 /nfs/dbraw/zinc/39/46/46/844394646.db2.gz FRKFHEMDSGGBGJ-QGPMSJSTSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047324 844394735 /nfs/dbraw/zinc/39/47/35/844394735.db2.gz CAQZXGRNLWHVPF-DDUZABMNSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046035 844394989 /nfs/dbraw/zinc/39/49/89/844394989.db2.gz IYDJUSWZSDRPIW-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102066482 844402599 /nfs/dbraw/zinc/40/25/99/844402599.db2.gz NOYNJQWXGXPPCX-RKVPGOIHSA-N 2 1 352.523 0.878 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077779170 839153167 /nfs/dbraw/zinc/15/31/67/839153167.db2.gz FYUHURIQWVYAAW-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102089985 844408647 /nfs/dbraw/zinc/40/86/47/844408647.db2.gz WMYNCYRSGXPCBP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001102089985 844408651 /nfs/dbraw/zinc/40/86/51/844408651.db2.gz WMYNCYRSGXPCBP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001102089985 844408657 /nfs/dbraw/zinc/40/86/57/844408657.db2.gz WMYNCYRSGXPCBP-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077892946 839211325 /nfs/dbraw/zinc/21/13/25/839211325.db2.gz RZERTKAVGCAZLK-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077892946 839211339 /nfs/dbraw/zinc/21/13/39/839211339.db2.gz RZERTKAVGCAZLK-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077923802 839233513 /nfs/dbraw/zinc/23/35/13/839233513.db2.gz FGNSHTLYRZVOJY-KBAYOESNSA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011810 839291313 /nfs/dbraw/zinc/29/13/13/839291313.db2.gz IYENYNUJRBPQRR-YNEHKIRRSA-N 2 1 362.301 0.827 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011810 839291322 /nfs/dbraw/zinc/29/13/22/839291322.db2.gz IYENYNUJRBPQRR-YNEHKIRRSA-N 2 1 362.301 0.827 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001078229818 839418658 /nfs/dbraw/zinc/41/86/58/839418658.db2.gz ZSKQBPDFVUBFCQ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001078229818 839418667 /nfs/dbraw/zinc/41/86/67/839418667.db2.gz ZSKQBPDFVUBFCQ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001078229818 839418674 /nfs/dbraw/zinc/41/86/74/839418674.db2.gz ZSKQBPDFVUBFCQ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848570 839607752 /nfs/dbraw/zinc/60/77/52/839607752.db2.gz BWPIPNLITDSOTP-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848570 839607762 /nfs/dbraw/zinc/60/77/62/839607762.db2.gz BWPIPNLITDSOTP-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848570 839607772 /nfs/dbraw/zinc/60/77/72/839607772.db2.gz BWPIPNLITDSOTP-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848570 839607778 /nfs/dbraw/zinc/60/77/78/839607778.db2.gz BWPIPNLITDSOTP-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080015816 839647511 /nfs/dbraw/zinc/64/75/11/839647511.db2.gz WPALTZGZEMQQQD-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080015816 839647517 /nfs/dbraw/zinc/64/75/17/839647517.db2.gz WPALTZGZEMQQQD-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080015816 839647524 /nfs/dbraw/zinc/64/75/24/839647524.db2.gz WPALTZGZEMQQQD-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080015816 839647533 /nfs/dbraw/zinc/64/75/33/839647533.db2.gz WPALTZGZEMQQQD-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287149 844458417 /nfs/dbraw/zinc/45/84/17/844458417.db2.gz PKBZDQOVTFFURS-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329781 839705205 /nfs/dbraw/zinc/70/52/05/839705205.db2.gz QFDWMRIYBFYVES-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329781 839705210 /nfs/dbraw/zinc/70/52/10/839705210.db2.gz QFDWMRIYBFYVES-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329781 839705223 /nfs/dbraw/zinc/70/52/23/839705223.db2.gz QFDWMRIYBFYVES-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329781 839705236 /nfs/dbraw/zinc/70/52/36/839705236.db2.gz QFDWMRIYBFYVES-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080444688 839724892 /nfs/dbraw/zinc/72/48/92/839724892.db2.gz ZXBVIMSMCMCOSV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080444688 839724901 /nfs/dbraw/zinc/72/49/01/839724901.db2.gz ZXBVIMSMCMCOSV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080444688 839724908 /nfs/dbraw/zinc/72/49/08/839724908.db2.gz ZXBVIMSMCMCOSV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)c2nccs2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320442 844466113 /nfs/dbraw/zinc/46/61/13/844466113.db2.gz CSLUHMZHEUHFEV-ZIAGYGMSSA-N 2 1 367.519 0.742 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)c2nccs2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320442 844466119 /nfs/dbraw/zinc/46/61/19/844466119.db2.gz CSLUHMZHEUHFEV-ZIAGYGMSSA-N 2 1 367.519 0.742 20 0 FCADMP COCc1noc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102318679 844466400 /nfs/dbraw/zinc/46/64/00/844466400.db2.gz FGXCTVMWGFMRKV-HZSPNIEDSA-N 2 1 353.467 0.913 20 0 FCADMP COCc1noc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102318679 844466406 /nfs/dbraw/zinc/46/64/06/844466406.db2.gz FGXCTVMWGFMRKV-HZSPNIEDSA-N 2 1 353.467 0.913 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320569 844466700 /nfs/dbraw/zinc/46/67/00/844466700.db2.gz IUMRSRARBDOPAJ-MGPQQGTHSA-N 2 1 369.428 0.562 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554242 839745199 /nfs/dbraw/zinc/74/51/99/839745199.db2.gz HSDKNMVZBOEFSS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554242 839745204 /nfs/dbraw/zinc/74/52/04/839745204.db2.gz HSDKNMVZBOEFSS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC001080704756 839780070 /nfs/dbraw/zinc/78/00/70/839780070.db2.gz JZNSUIBCKMAOGQ-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC001080704756 839780077 /nfs/dbraw/zinc/78/00/77/839780077.db2.gz JZNSUIBCKMAOGQ-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368221 844475811 /nfs/dbraw/zinc/47/58/11/844475811.db2.gz LLPWBTQPCIATKL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368221 844475818 /nfs/dbraw/zinc/47/58/18/844475818.db2.gz LLPWBTQPCIATKL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368221 844475823 /nfs/dbraw/zinc/47/58/23/844475823.db2.gz LLPWBTQPCIATKL-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366657 844476664 /nfs/dbraw/zinc/47/66/64/844476664.db2.gz MRMVQAWUFLZWCP-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366657 844476672 /nfs/dbraw/zinc/47/66/72/844476672.db2.gz MRMVQAWUFLZWCP-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366657 844476678 /nfs/dbraw/zinc/47/66/78/844476678.db2.gz MRMVQAWUFLZWCP-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375752 844480711 /nfs/dbraw/zinc/48/07/11/844480711.db2.gz ZRMQNIPZQPAXKD-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375752 844480713 /nfs/dbraw/zinc/48/07/13/844480713.db2.gz ZRMQNIPZQPAXKD-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375752 844480716 /nfs/dbraw/zinc/48/07/16/844480716.db2.gz ZRMQNIPZQPAXKD-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481795 839942438 /nfs/dbraw/zinc/94/24/38/839942438.db2.gz WIFXUPMVJZKJMJ-ZACQAIPSSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481795 839942447 /nfs/dbraw/zinc/94/24/47/839942447.db2.gz WIFXUPMVJZKJMJ-ZACQAIPSSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481795 839942463 /nfs/dbraw/zinc/94/24/63/839942463.db2.gz WIFXUPMVJZKJMJ-ZACQAIPSSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481795 839942467 /nfs/dbraw/zinc/94/24/67/839942467.db2.gz WIFXUPMVJZKJMJ-ZACQAIPSSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893523 840089313 /nfs/dbraw/zinc/08/93/13/840089313.db2.gz VDFILABFARAYRH-BRWVUGGUSA-N 2 1 351.491 0.857 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949459 840119052 /nfs/dbraw/zinc/11/90/52/840119052.db2.gz QGZZUFVRAADFLS-BRWVUGGUSA-N 2 1 350.463 0.966 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949459 840119059 /nfs/dbraw/zinc/11/90/59/840119059.db2.gz QGZZUFVRAADFLS-BRWVUGGUSA-N 2 1 350.463 0.966 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CCC1 ZINC001081949510 840119357 /nfs/dbraw/zinc/11/93/57/840119357.db2.gz SGZAUDCFWVPPGM-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CCC1 ZINC001081949510 840119364 /nfs/dbraw/zinc/11/93/64/840119364.db2.gz SGZAUDCFWVPPGM-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468370 844509316 /nfs/dbraw/zinc/50/93/16/844509316.db2.gz FIJFAFOEBLFFGC-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468370 844509327 /nfs/dbraw/zinc/50/93/27/844509327.db2.gz FIJFAFOEBLFFGC-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102475240 844516131 /nfs/dbraw/zinc/51/61/31/844516131.db2.gz FRMKYDIELXPXAI-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102473453 844515232 /nfs/dbraw/zinc/51/52/32/844515232.db2.gz ABCAVQIQUPIYKV-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486719 844523052 /nfs/dbraw/zinc/52/30/52/844523052.db2.gz RYVLTRUBLWHXJZ-ZIAGYGMSSA-N 2 1 367.519 0.833 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486719 844523056 /nfs/dbraw/zinc/52/30/56/844523056.db2.gz RYVLTRUBLWHXJZ-ZIAGYGMSSA-N 2 1 367.519 0.833 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C2)n1C ZINC001102495843 844529298 /nfs/dbraw/zinc/52/92/98/844529298.db2.gz PTRWYFDJTWWWNK-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C2)n1C ZINC001102495843 844529304 /nfs/dbraw/zinc/52/93/04/844529304.db2.gz PTRWYFDJTWWWNK-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C2)n1C ZINC001102495843 844529312 /nfs/dbraw/zinc/52/93/12/844529312.db2.gz PTRWYFDJTWWWNK-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C2)n1C ZINC001102495843 844529319 /nfs/dbraw/zinc/52/93/19/844529319.db2.gz PTRWYFDJTWWWNK-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001102496409 844530863 /nfs/dbraw/zinc/53/08/63/844530863.db2.gz TXVBJVGHMURXBB-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102496409 844530868 /nfs/dbraw/zinc/53/08/68/844530868.db2.gz TXVBJVGHMURXBB-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001102496409 844530872 /nfs/dbraw/zinc/53/08/72/844530872.db2.gz TXVBJVGHMURXBB-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082459094 840421772 /nfs/dbraw/zinc/42/17/72/840421772.db2.gz LLYAPWMMEPINHM-BPLDGKMQSA-N 2 1 355.870 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082459094 840421780 /nfs/dbraw/zinc/42/17/80/840421780.db2.gz LLYAPWMMEPINHM-BPLDGKMQSA-N 2 1 355.870 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001082522116 840448259 /nfs/dbraw/zinc/44/82/59/840448259.db2.gz STMKFABGHZGRGV-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082544823 840457889 /nfs/dbraw/zinc/45/78/89/840457889.db2.gz UEFCTWRBVUZYHF-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513381 844544983 /nfs/dbraw/zinc/54/49/83/844544983.db2.gz ICNZMMPCOXFAII-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001082646525 840510197 /nfs/dbraw/zinc/51/01/97/840510197.db2.gz CTROOKUISGSZSB-VHDGCEQUSA-N 2 1 354.476 0.063 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515224 844546485 /nfs/dbraw/zinc/54/64/85/844546485.db2.gz JLRATYNALSDXHY-HUUCEWRRSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[NH+](C)C ZINC001082747160 840545914 /nfs/dbraw/zinc/54/59/14/840545914.db2.gz BKMBTPIRRCGNSR-MCIONIFRSA-N 2 1 350.467 0.085 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524870 844553703 /nfs/dbraw/zinc/55/37/03/844553703.db2.gz ATVNPSIFVFIGBB-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524870 844553710 /nfs/dbraw/zinc/55/37/10/844553710.db2.gz ATVNPSIFVFIGBB-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524870 844553716 /nfs/dbraw/zinc/55/37/16/844553716.db2.gz ATVNPSIFVFIGBB-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001082933975 840612529 /nfs/dbraw/zinc/61/25/29/840612529.db2.gz RIJWWFBJSZADEF-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001082933975 840612533 /nfs/dbraw/zinc/61/25/33/840612533.db2.gz RIJWWFBJSZADEF-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083086526 840698421 /nfs/dbraw/zinc/69/84/21/840698421.db2.gz RJHVYCTYXHRYKF-HRCADAONSA-N 2 1 350.463 0.691 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083086526 840698429 /nfs/dbraw/zinc/69/84/29/840698429.db2.gz RJHVYCTYXHRYKF-HRCADAONSA-N 2 1 350.463 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579927 844574134 /nfs/dbraw/zinc/57/41/34/844574134.db2.gz XOMLNXKLCIYKPB-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578270 844573693 /nfs/dbraw/zinc/57/36/93/844573693.db2.gz TVBANOOWBYECNU-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578270 844573694 /nfs/dbraw/zinc/57/36/94/844573694.db2.gz TVBANOOWBYECNU-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578270 844573696 /nfs/dbraw/zinc/57/36/96/844573696.db2.gz TVBANOOWBYECNU-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102600066 844590864 /nfs/dbraw/zinc/59/08/64/844590864.db2.gz KNDSRARNGXJPJP-BRWVUGGUSA-N 2 1 351.495 0.268 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102600066 844590868 /nfs/dbraw/zinc/59/08/68/844590868.db2.gz KNDSRARNGXJPJP-BRWVUGGUSA-N 2 1 351.495 0.268 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102600066 844590874 /nfs/dbraw/zinc/59/08/74/844590874.db2.gz KNDSRARNGXJPJP-BRWVUGGUSA-N 2 1 351.495 0.268 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102600917 844592812 /nfs/dbraw/zinc/59/28/12/844592812.db2.gz CBJGSFFWVJCFEM-HUUCEWRRSA-N 2 1 352.479 0.160 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102600917 844592816 /nfs/dbraw/zinc/59/28/16/844592816.db2.gz CBJGSFFWVJCFEM-HUUCEWRRSA-N 2 1 352.479 0.160 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102600917 844592820 /nfs/dbraw/zinc/59/28/20/844592820.db2.gz CBJGSFFWVJCFEM-HUUCEWRRSA-N 2 1 352.479 0.160 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460580 841028848 /nfs/dbraw/zinc/02/88/48/841028848.db2.gz NNASSQDASJTWRK-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cs1 ZINC001083465366 841037192 /nfs/dbraw/zinc/03/71/92/841037192.db2.gz BAOYVOMXIWMISV-ZACQAIPSSA-N 2 1 364.515 0.497 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cs1 ZINC001083465366 841037203 /nfs/dbraw/zinc/03/72/03/841037203.db2.gz BAOYVOMXIWMISV-ZACQAIPSSA-N 2 1 364.515 0.497 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083523239 841121002 /nfs/dbraw/zinc/12/10/02/841121002.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083523239 841121007 /nfs/dbraw/zinc/12/10/07/841121007.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001083523239 841121011 /nfs/dbraw/zinc/12/10/11/841121011.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563400 841172760 /nfs/dbraw/zinc/17/27/60/841172760.db2.gz NQJCAQXJDWTGRK-SJORKVTESA-N 2 1 351.491 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083645060 841272786 /nfs/dbraw/zinc/27/27/86/841272786.db2.gz JFSHXACHULOWIC-IKGGRYGDSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083645060 841272798 /nfs/dbraw/zinc/27/27/98/841272798.db2.gz JFSHXACHULOWIC-IKGGRYGDSA-N 2 1 350.463 0.294 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083669098 841293943 /nfs/dbraw/zinc/29/39/43/841293943.db2.gz UCGAACFPQHJAHA-IXDOHACOSA-N 2 1 364.515 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001083669098 841293954 /nfs/dbraw/zinc/29/39/54/841293954.db2.gz UCGAACFPQHJAHA-IXDOHACOSA-N 2 1 364.515 0.721 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083727322 841368567 /nfs/dbraw/zinc/36/85/67/841368567.db2.gz XDMQJWAFRYHOCT-SDNTUTLCSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083727322 841368574 /nfs/dbraw/zinc/36/85/74/841368574.db2.gz XDMQJWAFRYHOCT-SDNTUTLCSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083727322 841368585 /nfs/dbraw/zinc/36/85/85/841368585.db2.gz XDMQJWAFRYHOCT-SDNTUTLCSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083727322 841368593 /nfs/dbraw/zinc/36/85/93/841368593.db2.gz XDMQJWAFRYHOCT-SDNTUTLCSA-N 2 1 366.531 0.886 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001083750352 841393214 /nfs/dbraw/zinc/39/32/14/841393214.db2.gz RVDLJDHNKNHVJS-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781322 841428785 /nfs/dbraw/zinc/42/87/85/841428785.db2.gz BYJBTGJGBVRUKH-JQHSSLGASA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781322 841428791 /nfs/dbraw/zinc/42/87/91/841428791.db2.gz BYJBTGJGBVRUKH-JQHSSLGASA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083781322 841428795 /nfs/dbraw/zinc/42/87/95/841428795.db2.gz BYJBTGJGBVRUKH-JQHSSLGASA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831193 841474758 /nfs/dbraw/zinc/47/47/58/841474758.db2.gz BDFOHVWXLNWZEC-NXHRZFHOSA-N 2 1 353.507 0.981 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831193 841474767 /nfs/dbraw/zinc/47/47/67/841474767.db2.gz BDFOHVWXLNWZEC-NXHRZFHOSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083832296 841476216 /nfs/dbraw/zinc/47/62/16/841476216.db2.gz AQSCZVCHIIWVHC-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083832296 841476220 /nfs/dbraw/zinc/47/62/20/841476220.db2.gz AQSCZVCHIIWVHC-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083832296 841476225 /nfs/dbraw/zinc/47/62/25/841476225.db2.gz AQSCZVCHIIWVHC-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083832296 841476232 /nfs/dbraw/zinc/47/62/32/841476232.db2.gz AQSCZVCHIIWVHC-KURKYZTESA-N 2 1 353.507 0.980 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083833022 841477374 /nfs/dbraw/zinc/47/73/74/841477374.db2.gz FYUHURIQWVYAAW-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)cn1 ZINC001083851230 841500324 /nfs/dbraw/zinc/50/03/24/841500324.db2.gz UOFXUFCKDQWSQJ-CVEARBPZSA-N 2 1 363.487 0.481 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)cn1 ZINC001083851230 841500331 /nfs/dbraw/zinc/50/03/31/841500331.db2.gz UOFXUFCKDQWSQJ-CVEARBPZSA-N 2 1 363.487 0.481 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083887597 841534487 /nfs/dbraw/zinc/53/44/87/841534487.db2.gz AGIUSNYOSWNHQN-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083887597 841534497 /nfs/dbraw/zinc/53/44/97/841534497.db2.gz AGIUSNYOSWNHQN-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083908399 841555122 /nfs/dbraw/zinc/55/51/22/841555122.db2.gz AXBFBQBGWKHMPP-NXHRZFHOSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833534 861220126 /nfs/dbraw/zinc/22/01/26/861220126.db2.gz JQQRBMNVWLDYPI-DNVCBOLYSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056514 841670737 /nfs/dbraw/zinc/67/07/37/841670737.db2.gz BFGZHAUBZJIYAI-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056514 841670744 /nfs/dbraw/zinc/67/07/44/841670744.db2.gz BFGZHAUBZJIYAI-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056514 841670750 /nfs/dbraw/zinc/67/07/50/841670750.db2.gz BFGZHAUBZJIYAI-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056514 841670756 /nfs/dbraw/zinc/67/07/56/841670756.db2.gz BFGZHAUBZJIYAI-XYPHTWIQSA-N 2 1 367.877 0.832 20 0 FCADMP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC001084405194 841788574 /nfs/dbraw/zinc/78/85/74/841788574.db2.gz CADBLDSVFYSEOT-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC001084405194 841788578 /nfs/dbraw/zinc/78/85/78/841788578.db2.gz CADBLDSVFYSEOT-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC001084405194 841788592 /nfs/dbraw/zinc/78/85/92/841788592.db2.gz CADBLDSVFYSEOT-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599048 841838844 /nfs/dbraw/zinc/83/88/44/841838844.db2.gz NSDOKJCARFGQHG-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599048 841838848 /nfs/dbraw/zinc/83/88/48/841838848.db2.gz NSDOKJCARFGQHG-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599048 841838853 /nfs/dbraw/zinc/83/88/53/841838853.db2.gz NSDOKJCARFGQHG-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599048 841838857 /nfs/dbraw/zinc/83/88/57/841838857.db2.gz NSDOKJCARFGQHG-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599046 841839340 /nfs/dbraw/zinc/83/93/40/841839340.db2.gz NSDOKJCARFGQHG-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599046 841839350 /nfs/dbraw/zinc/83/93/50/841839350.db2.gz NSDOKJCARFGQHG-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599046 841839361 /nfs/dbraw/zinc/83/93/61/841839361.db2.gz NSDOKJCARFGQHG-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084599046 841839374 /nfs/dbraw/zinc/83/93/74/841839374.db2.gz NSDOKJCARFGQHG-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001084630485 841870639 /nfs/dbraw/zinc/87/06/39/841870639.db2.gz IKUZXVRAPBHTLL-DJIMGWMZSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001084630485 841870645 /nfs/dbraw/zinc/87/06/45/841870645.db2.gz IKUZXVRAPBHTLL-DJIMGWMZSA-N 2 1 369.531 0.296 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844524 841931745 /nfs/dbraw/zinc/93/17/45/841931745.db2.gz XJEKKBINFDBCEV-NXHRZFHOSA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844524 841931753 /nfs/dbraw/zinc/93/17/53/841931753.db2.gz XJEKKBINFDBCEV-NXHRZFHOSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844524 841931759 /nfs/dbraw/zinc/93/17/59/841931759.db2.gz XJEKKBINFDBCEV-NXHRZFHOSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844524 841931766 /nfs/dbraw/zinc/93/17/66/841931766.db2.gz XJEKKBINFDBCEV-NXHRZFHOSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939179 841960401 /nfs/dbraw/zinc/96/04/01/841960401.db2.gz VOWYTMFGWRIUQC-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939179 841960410 /nfs/dbraw/zinc/96/04/10/841960410.db2.gz VOWYTMFGWRIUQC-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939179 841960418 /nfs/dbraw/zinc/96/04/18/841960418.db2.gz VOWYTMFGWRIUQC-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084939179 841960421 /nfs/dbraw/zinc/96/04/21/841960421.db2.gz VOWYTMFGWRIUQC-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953327 841967830 /nfs/dbraw/zinc/96/78/30/841967830.db2.gz DMTRVGYOTDDZAV-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953327 841967834 /nfs/dbraw/zinc/96/78/34/841967834.db2.gz DMTRVGYOTDDZAV-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953327 841967840 /nfs/dbraw/zinc/96/78/40/841967840.db2.gz DMTRVGYOTDDZAV-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001084953327 841967845 /nfs/dbraw/zinc/96/78/45/841967845.db2.gz DMTRVGYOTDDZAV-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)C1=O ZINC001085333401 842078956 /nfs/dbraw/zinc/07/89/56/842078956.db2.gz OLCQIMDAKKITJI-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085332296 842079651 /nfs/dbraw/zinc/07/96/51/842079651.db2.gz RNNQFEPBRXMNEK-BZUAXINKSA-N 2 1 351.495 0.513 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001086371302 842128470 /nfs/dbraw/zinc/12/84/70/842128470.db2.gz ANSSUGGADOJDGS-LUKYLMHMSA-N 2 1 350.507 0.824 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400786 842131130 /nfs/dbraw/zinc/13/11/30/842131130.db2.gz XIXNTIUHGKJWFB-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400786 842131132 /nfs/dbraw/zinc/13/11/32/842131132.db2.gz XIXNTIUHGKJWFB-IXYNUQLISA-N 2 1 350.467 0.002 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)sn1 ZINC001086665076 842145461 /nfs/dbraw/zinc/14/54/61/842145461.db2.gz PLKWWYINQZIDMG-GUTXKFCHSA-N 2 1 368.503 0.857 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)sn1 ZINC001086665076 842145469 /nfs/dbraw/zinc/14/54/69/842145469.db2.gz PLKWWYINQZIDMG-GUTXKFCHSA-N 2 1 368.503 0.857 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)O1 ZINC001086731518 842161323 /nfs/dbraw/zinc/16/13/23/842161323.db2.gz ONDXBXAWSPPAHB-QVHKTLOISA-N 2 1 353.492 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)O1 ZINC001086731518 842161332 /nfs/dbraw/zinc/16/13/32/842161332.db2.gz ONDXBXAWSPPAHB-QVHKTLOISA-N 2 1 353.492 0.632 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087077174 842271723 /nfs/dbraw/zinc/27/17/23/842271723.db2.gz KOSWHARFPIRXKN-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087077174 842271730 /nfs/dbraw/zinc/27/17/30/842271730.db2.gz KOSWHARFPIRXKN-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087096775 842287221 /nfs/dbraw/zinc/28/72/21/842287221.db2.gz DCVGUORMRUELEI-UKRRQHHQSA-N 2 1 365.503 0.587 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087101026 842289926 /nfs/dbraw/zinc/28/99/26/842289926.db2.gz PTFDZYOJCSWEBQ-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087711505 842411547 /nfs/dbraw/zinc/41/15/47/842411547.db2.gz IGHDKYHJRLEIFR-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087828238 842443218 /nfs/dbraw/zinc/44/32/18/842443218.db2.gz FFMUCHAYQSTHEO-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087828238 842443227 /nfs/dbraw/zinc/44/32/27/842443227.db2.gz FFMUCHAYQSTHEO-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087828238 842443236 /nfs/dbraw/zinc/44/32/36/842443236.db2.gz FFMUCHAYQSTHEO-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993117 842494388 /nfs/dbraw/zinc/49/43/88/842494388.db2.gz AAPCJKRRYWQLKS-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993117 842494393 /nfs/dbraw/zinc/49/43/93/842494393.db2.gz AAPCJKRRYWQLKS-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993117 842494401 /nfs/dbraw/zinc/49/44/01/842494401.db2.gz AAPCJKRRYWQLKS-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001088150603 842544712 /nfs/dbraw/zinc/54/47/12/842544712.db2.gz MHQKTFRWDKGXKL-SJORKVTESA-N 2 1 350.507 0.587 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212780 842563081 /nfs/dbraw/zinc/56/30/81/842563081.db2.gz PJMDPWVJJURIGH-RYRKJORJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[NH+](CCO)C3)CC2)CC[N@H+]1C ZINC001088234137 842566285 /nfs/dbraw/zinc/56/62/85/842566285.db2.gz JQJKHNIWNUGBKZ-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[N@H+](CCO)C3)CC2)CC[NH+]1C ZINC001088234137 842566293 /nfs/dbraw/zinc/56/62/93/842566293.db2.gz JQJKHNIWNUGBKZ-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[N@@H+](CCO)C3)CC2)CC[NH+]1C ZINC001088234137 842566299 /nfs/dbraw/zinc/56/62/99/842566299.db2.gz JQJKHNIWNUGBKZ-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@@H]2C)CC[NH+]1C ZINC001088577827 842616480 /nfs/dbraw/zinc/61/64/80/842616480.db2.gz QUYOTLMPXOMNCY-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577827 842616490 /nfs/dbraw/zinc/61/64/90/842616490.db2.gz QUYOTLMPXOMNCY-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577827 842616495 /nfs/dbraw/zinc/61/64/95/842616495.db2.gz QUYOTLMPXOMNCY-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001088983513 842734182 /nfs/dbraw/zinc/73/41/82/842734182.db2.gz AIGLUFSXHIPVHN-PMPSAXMXSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001088983513 842734185 /nfs/dbraw/zinc/73/41/85/842734185.db2.gz AIGLUFSXHIPVHN-PMPSAXMXSA-N 2 1 369.531 0.486 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054067 842762425 /nfs/dbraw/zinc/76/24/25/842762425.db2.gz YXIRSNFONLQQSF-VNQPRFMTSA-N 2 1 352.504 0.985 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054067 842762429 /nfs/dbraw/zinc/76/24/29/842762429.db2.gz YXIRSNFONLQQSF-VNQPRFMTSA-N 2 1 352.504 0.985 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054067 842762435 /nfs/dbraw/zinc/76/24/35/842762435.db2.gz YXIRSNFONLQQSF-VNQPRFMTSA-N 2 1 352.504 0.985 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCc3ccns3)[C@@H]2C)C1 ZINC001089054067 842762438 /nfs/dbraw/zinc/76/24/38/842762438.db2.gz YXIRSNFONLQQSF-VNQPRFMTSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091734967 843085571 /nfs/dbraw/zinc/08/55/71/843085571.db2.gz DHLDGSKZNQPZKA-DAYGRLMNSA-N 2 1 350.507 0.728 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071309 843153241 /nfs/dbraw/zinc/15/32/41/843153241.db2.gz PYTWKLQSCIZPIZ-APWZRJJASA-N 2 1 350.507 0.587 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070860 843153577 /nfs/dbraw/zinc/15/35/77/843153577.db2.gz AVXFYWWXJGLLMN-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001092275724 843175506 /nfs/dbraw/zinc/17/55/06/843175506.db2.gz MRFIHNSYWAJDRY-NUJGCVRESA-N 2 1 369.531 0.297 20 0 FCADMP CCc1nocc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522634 843226599 /nfs/dbraw/zinc/22/65/99/843226599.db2.gz RUQFLHSXOUAGMI-CKEIUWERSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522634 843226607 /nfs/dbraw/zinc/22/66/07/843226607.db2.gz RUQFLHSXOUAGMI-CKEIUWERSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092522634 843226619 /nfs/dbraw/zinc/22/66/19/843226619.db2.gz RUQFLHSXOUAGMI-CKEIUWERSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092522634 843226629 /nfs/dbraw/zinc/22/66/29/843226629.db2.gz RUQFLHSXOUAGMI-CKEIUWERSA-N 2 1 350.463 0.752 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523372 843227178 /nfs/dbraw/zinc/22/71/78/843227178.db2.gz IAZMIWQTANSATP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523372 843227193 /nfs/dbraw/zinc/22/71/93/843227193.db2.gz IAZMIWQTANSATP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523372 843227203 /nfs/dbraw/zinc/22/72/03/843227203.db2.gz IAZMIWQTANSATP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092523372 843227214 /nfs/dbraw/zinc/22/72/14/843227214.db2.gz IAZMIWQTANSATP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092522842 843228028 /nfs/dbraw/zinc/22/80/28/843228028.db2.gz WBDUKUQNSZCFLP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092522842 843228037 /nfs/dbraw/zinc/22/80/37/843228037.db2.gz WBDUKUQNSZCFLP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092522842 843228048 /nfs/dbraw/zinc/22/80/48/843228048.db2.gz WBDUKUQNSZCFLP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092522842 843228057 /nfs/dbraw/zinc/22/80/57/843228057.db2.gz WBDUKUQNSZCFLP-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[NH+]1C ZINC001092620298 843254995 /nfs/dbraw/zinc/25/49/95/843254995.db2.gz AEEHCXNALLGZHW-KCYZZUKISA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001092620298 843255007 /nfs/dbraw/zinc/25/50/07/843255007.db2.gz AEEHCXNALLGZHW-KCYZZUKISA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001092620298 843255019 /nfs/dbraw/zinc/25/50/19/843255019.db2.gz AEEHCXNALLGZHW-KCYZZUKISA-N 2 1 350.507 0.632 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657968 843269092 /nfs/dbraw/zinc/26/90/92/843269092.db2.gz APEVCSQSPGZTRD-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657968 843269101 /nfs/dbraw/zinc/26/91/01/843269101.db2.gz APEVCSQSPGZTRD-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657968 843269110 /nfs/dbraw/zinc/26/91/10/843269110.db2.gz APEVCSQSPGZTRD-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001092657968 843269118 /nfs/dbraw/zinc/26/91/18/843269118.db2.gz APEVCSQSPGZTRD-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225610 843413339 /nfs/dbraw/zinc/41/33/39/843413339.db2.gz QAHUASNRWUWAKM-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225610 843413350 /nfs/dbraw/zinc/41/33/50/843413350.db2.gz QAHUASNRWUWAKM-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001093225610 843413358 /nfs/dbraw/zinc/41/33/58/843413358.db2.gz QAHUASNRWUWAKM-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093281731 843421026 /nfs/dbraw/zinc/42/10/26/843421026.db2.gz UHIMOASVMVUJTL-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857445 843479775 /nfs/dbraw/zinc/47/97/75/843479775.db2.gz GOJFNCQISQCRLE-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857445 843479780 /nfs/dbraw/zinc/47/97/80/843479780.db2.gz GOJFNCQISQCRLE-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001093992456 843500629 /nfs/dbraw/zinc/50/06/29/843500629.db2.gz SVUVTDFAQBWIAY-KFWWJZLASA-N 2 1 367.519 0.831 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001093992456 843500632 /nfs/dbraw/zinc/50/06/32/843500632.db2.gz SVUVTDFAQBWIAY-KFWWJZLASA-N 2 1 367.519 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094043987 843507593 /nfs/dbraw/zinc/50/75/93/843507593.db2.gz HCTXTHXCYKVTGK-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094110611 843516876 /nfs/dbraw/zinc/51/68/76/843516876.db2.gz IMCGIDKRUCIRQH-RHSMWYFYSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001094114128 843518234 /nfs/dbraw/zinc/51/82/34/843518234.db2.gz UHCDDJAFTKVFSN-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001094221528 843532804 /nfs/dbraw/zinc/53/28/04/843532804.db2.gz PJTJAIGHIMCNDX-FVQBIDKESA-N 2 1 368.503 0.310 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)C1 ZINC001094232069 843536325 /nfs/dbraw/zinc/53/63/25/843536325.db2.gz LGPOMQCEBRLQDZ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)C1 ZINC001094232069 843536333 /nfs/dbraw/zinc/53/63/33/843536333.db2.gz LGPOMQCEBRLQDZ-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094737730 843697323 /nfs/dbraw/zinc/69/73/23/843697323.db2.gz AFZFGPJSXJGLMO-HLLBOEOZSA-N 2 1 350.507 0.774 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096540553 843801106 /nfs/dbraw/zinc/80/11/06/843801106.db2.gz VECKDIYGYUOILI-WCVJEAGWSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096540553 843801116 /nfs/dbraw/zinc/80/11/16/843801116.db2.gz VECKDIYGYUOILI-WCVJEAGWSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096540553 843801125 /nfs/dbraw/zinc/80/11/25/843801125.db2.gz VECKDIYGYUOILI-WCVJEAGWSA-N 2 1 364.515 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096540553 843801136 /nfs/dbraw/zinc/80/11/36/843801136.db2.gz VECKDIYGYUOILI-WCVJEAGWSA-N 2 1 364.515 0.891 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCF)nn3)C2)CC[N@H+]1C ZINC001098673597 843928086 /nfs/dbraw/zinc/92/80/86/843928086.db2.gz RXMZNPWEMKLTNE-FVQBIDKESA-N 2 1 352.458 0.841 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871052 843943114 /nfs/dbraw/zinc/94/31/14/843943114.db2.gz ZSXUKUZTSPOSBU-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098871052 843943116 /nfs/dbraw/zinc/94/31/16/843943116.db2.gz ZSXUKUZTSPOSBU-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098871052 843943119 /nfs/dbraw/zinc/94/31/19/843943119.db2.gz ZSXUKUZTSPOSBU-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098871052 843943121 /nfs/dbraw/zinc/94/31/21/843943121.db2.gz ZSXUKUZTSPOSBU-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223178 843978737 /nfs/dbraw/zinc/97/87/37/843978737.db2.gz HRRFSCRWMHJQNY-MGPQQGTHSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223178 843978739 /nfs/dbraw/zinc/97/87/39/843978739.db2.gz HRRFSCRWMHJQNY-MGPQQGTHSA-N 2 1 359.396 0.993 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099263388 843996106 /nfs/dbraw/zinc/99/61/06/843996106.db2.gz RHUCVPICBHZICZ-YNEHKIRRSA-N 2 1 364.412 0.714 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099263388 843996108 /nfs/dbraw/zinc/99/61/08/843996108.db2.gz RHUCVPICBHZICZ-YNEHKIRRSA-N 2 1 364.412 0.714 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099265396 843996680 /nfs/dbraw/zinc/99/66/80/843996680.db2.gz GLGSTZJKCYUTMF-IJLUTSLNSA-N 2 1 350.385 0.325 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099265396 843996685 /nfs/dbraw/zinc/99/66/85/843996685.db2.gz GLGSTZJKCYUTMF-IJLUTSLNSA-N 2 1 350.385 0.325 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780875 844646647 /nfs/dbraw/zinc/64/66/47/844646647.db2.gz SDGUIRPPTAVEHZ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102780875 844646649 /nfs/dbraw/zinc/64/66/49/844646649.db2.gz SDGUIRPPTAVEHZ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102780875 844646651 /nfs/dbraw/zinc/64/66/51/844646651.db2.gz SDGUIRPPTAVEHZ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818651 844652208 /nfs/dbraw/zinc/65/22/08/844652208.db2.gz ASWXMCDVBGEQLD-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818651 844652213 /nfs/dbraw/zinc/65/22/13/844652213.db2.gz ASWXMCDVBGEQLD-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818651 844652215 /nfs/dbraw/zinc/65/22/15/844652215.db2.gz ASWXMCDVBGEQLD-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818651 844652216 /nfs/dbraw/zinc/65/22/16/844652216.db2.gz ASWXMCDVBGEQLD-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102977060 844676823 /nfs/dbraw/zinc/67/68/23/844676823.db2.gz KZTQNCKMGPAREV-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102977060 844676827 /nfs/dbraw/zinc/67/68/27/844676827.db2.gz KZTQNCKMGPAREV-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102977060 844676832 /nfs/dbraw/zinc/67/68/32/844676832.db2.gz KZTQNCKMGPAREV-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994125 844681793 /nfs/dbraw/zinc/68/17/93/844681793.db2.gz RLCGIJAEJGCXED-DJIMGWMZSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001103085300 844697276 /nfs/dbraw/zinc/69/72/76/844697276.db2.gz PERDWBMKXBLWOD-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001103085300 844697280 /nfs/dbraw/zinc/69/72/80/844697280.db2.gz PERDWBMKXBLWOD-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090542 844698718 /nfs/dbraw/zinc/69/87/18/844698718.db2.gz XUEFPXTWXZJZNQ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090542 844698720 /nfs/dbraw/zinc/69/87/20/844698720.db2.gz XUEFPXTWXZJZNQ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090542 844698723 /nfs/dbraw/zinc/69/87/23/844698723.db2.gz XUEFPXTWXZJZNQ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148251 844708319 /nfs/dbraw/zinc/70/83/19/844708319.db2.gz TVWWMAFQULLGRT-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148251 844708321 /nfs/dbraw/zinc/70/83/21/844708321.db2.gz TVWWMAFQULLGRT-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148251 844708323 /nfs/dbraw/zinc/70/83/23/844708323.db2.gz TVWWMAFQULLGRT-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308569 844734621 /nfs/dbraw/zinc/73/46/21/844734621.db2.gz ADBPQFPDANXHHK-IAGOWNOFSA-N 2 1 355.523 0.944 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359279 844743341 /nfs/dbraw/zinc/74/33/41/844743341.db2.gz SBUJMYXVBJABDU-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359279 844743344 /nfs/dbraw/zinc/74/33/44/844743344.db2.gz SBUJMYXVBJABDU-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C)C1 ZINC001103359279 844743350 /nfs/dbraw/zinc/74/33/50/844743350.db2.gz SBUJMYXVBJABDU-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103379092 844746006 /nfs/dbraw/zinc/74/60/06/844746006.db2.gz ZQDMRPSJHPXXMN-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535494 844775921 /nfs/dbraw/zinc/77/59/21/844775921.db2.gz MZAXNDWYDIHPTE-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535494 844775926 /nfs/dbraw/zinc/77/59/26/844775926.db2.gz MZAXNDWYDIHPTE-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647002 844794773 /nfs/dbraw/zinc/79/47/73/844794773.db2.gz PGEUWVPLGRGEQF-HZPDHXFCSA-N 2 1 350.507 0.683 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663528 844797474 /nfs/dbraw/zinc/79/74/74/844797474.db2.gz GIKCHUFOURIZNZ-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663528 844797484 /nfs/dbraw/zinc/79/74/84/844797484.db2.gz GIKCHUFOURIZNZ-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663528 844797494 /nfs/dbraw/zinc/79/74/94/844797494.db2.gz GIKCHUFOURIZNZ-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722407 844807420 /nfs/dbraw/zinc/80/74/20/844807420.db2.gz MBGQYAXDJASNDU-HZPDHXFCSA-N 2 1 351.495 0.182 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718885 844807471 /nfs/dbraw/zinc/80/74/71/844807471.db2.gz IVTVFHHKUHLPIY-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718885 844807481 /nfs/dbraw/zinc/80/74/81/844807481.db2.gz IVTVFHHKUHLPIY-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718885 844807488 /nfs/dbraw/zinc/80/74/88/844807488.db2.gz IVTVFHHKUHLPIY-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721435 844807870 /nfs/dbraw/zinc/80/78/70/844807870.db2.gz SHVHPISZWYTZEG-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721435 844807872 /nfs/dbraw/zinc/80/78/72/844807872.db2.gz SHVHPISZWYTZEG-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721435 844807876 /nfs/dbraw/zinc/80/78/76/844807876.db2.gz SHVHPISZWYTZEG-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751751 844814905 /nfs/dbraw/zinc/81/49/05/844814905.db2.gz OXPUKYKXKVUPGZ-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752485 844815822 /nfs/dbraw/zinc/81/58/22/844815822.db2.gz IGDFKIKYWMWXHP-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103756864 844817286 /nfs/dbraw/zinc/81/72/86/844817286.db2.gz DQPISHMDLKNWPP-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103756864 844817289 /nfs/dbraw/zinc/81/72/89/844817289.db2.gz DQPISHMDLKNWPP-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103756864 844817293 /nfs/dbraw/zinc/81/72/93/844817293.db2.gz DQPISHMDLKNWPP-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001103999570 844851403 /nfs/dbraw/zinc/85/14/03/844851403.db2.gz CVODBKXWJSMHAC-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630207 861507768 /nfs/dbraw/zinc/50/77/68/861507768.db2.gz MGOZQRCYYDPPRE-KBAYOESNSA-N 2 1 350.507 0.667 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104362996 844900674 /nfs/dbraw/zinc/90/06/74/844900674.db2.gz UFKXVFPHSHJZCR-HUUCEWRRSA-N 2 1 361.552 0.836 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371676 844902889 /nfs/dbraw/zinc/90/28/89/844902889.db2.gz AUGDIDHIPUVVCC-CHWSQXEVSA-N 2 1 351.451 0.170 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013835 844968670 /nfs/dbraw/zinc/96/86/70/844968670.db2.gz WTNOYPWIXKZJDW-NVXWUHKLSA-N 2 1 352.479 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001105008091 844968764 /nfs/dbraw/zinc/96/87/64/844968764.db2.gz PLTJPANGFWKNAC-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008041 844968789 /nfs/dbraw/zinc/96/87/89/844968789.db2.gz MWCNYHFIMBUJLQ-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268764 844984445 /nfs/dbraw/zinc/98/44/45/844984445.db2.gz YGMMAHLSWUBLCZ-CZUORRHYSA-N 2 1 350.467 0.270 20 0 FCADMP CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268764 844984452 /nfs/dbraw/zinc/98/44/52/844984452.db2.gz YGMMAHLSWUBLCZ-CZUORRHYSA-N 2 1 350.467 0.270 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105668056 845015069 /nfs/dbraw/zinc/01/50/69/845015069.db2.gz WATKUGZHYUQQTB-PSBWJHGTSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)N3CCCC3)C2)C1=O ZINC001276678394 861532279 /nfs/dbraw/zinc/53/22/79/861532279.db2.gz MFAVBCYQMKZNDH-SFHVURJKSA-N 2 1 350.463 0.012 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106210698 845135670 /nfs/dbraw/zinc/13/56/70/845135670.db2.gz AMFAXUXHBNBXQI-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCOCC1CC1 ZINC001106310269 845153192 /nfs/dbraw/zinc/15/31/92/845153192.db2.gz OUSAJHVTLUCRCC-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCOCC1CC1 ZINC001106310269 845153199 /nfs/dbraw/zinc/15/31/99/845153199.db2.gz OUSAJHVTLUCRCC-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106340024 845159097 /nfs/dbraw/zinc/15/90/97/845159097.db2.gz ILCBXDNDIJZJIP-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)C1 ZINC001106571104 845196439 /nfs/dbraw/zinc/19/64/39/845196439.db2.gz MMNOKGLLZPYDSM-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106839297 845264474 /nfs/dbraw/zinc/26/44/74/845264474.db2.gz BUHSCOCSSABXJN-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106874367 845275087 /nfs/dbraw/zinc/27/50/87/845275087.db2.gz FIHDKZPWUXBJDZ-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001107042291 845317361 /nfs/dbraw/zinc/31/73/61/845317361.db2.gz FLRKGULQAFYSGA-BRWVUGGUSA-N 2 1 351.495 0.268 20 0 FCADMP COC[C@@H](C(=O)OC)[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728143 861559840 /nfs/dbraw/zinc/55/98/40/861559840.db2.gz UTJIVKYBLHLEPH-MAUKXSAKSA-N 2 1 355.479 0.441 20 0 FCADMP COC[C@@H](C(=O)OC)[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276728143 861559850 /nfs/dbraw/zinc/55/98/50/861559850.db2.gz UTJIVKYBLHLEPH-MAUKXSAKSA-N 2 1 355.479 0.441 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001107424579 845369122 /nfs/dbraw/zinc/36/91/22/845369122.db2.gz WCFKUUWCXZMFOX-IIDMSEBBSA-N 2 1 356.486 0.773 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C1CC1 ZINC001107438790 845372800 /nfs/dbraw/zinc/37/28/00/845372800.db2.gz JAILNLHMYNIMPM-ZHALLVOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)CC1 ZINC001107520697 845390041 /nfs/dbraw/zinc/39/00/41/845390041.db2.gz DBEFTPPBTAOHQB-SJLPKXTDSA-N 2 1 353.507 0.698 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609550 845407202 /nfs/dbraw/zinc/40/72/02/845407202.db2.gz WSJKFBQLWOJJGO-CRAIPNDOSA-N 2 1 354.495 0.014 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107609360 845408161 /nfs/dbraw/zinc/40/81/61/845408161.db2.gz PEVNPSYCTJBBMA-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107609360 845408164 /nfs/dbraw/zinc/40/81/64/845408164.db2.gz PEVNPSYCTJBBMA-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107609360 845408169 /nfs/dbraw/zinc/40/81/69/845408169.db2.gz PEVNPSYCTJBBMA-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP COCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107633809 845411499 /nfs/dbraw/zinc/41/14/99/845411499.db2.gz CZKXIOLOWXXLII-YQVWRLOYSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC001107633738 845412284 /nfs/dbraw/zinc/41/22/84/845412284.db2.gz BFZPJENSGFRJLJ-ZHALLVOQSA-N 2 1 353.507 0.698 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001109305713 845618607 /nfs/dbraw/zinc/61/86/07/845618607.db2.gz MSCCWWKYXJQPBJ-SUJAAXHWSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001109305713 845618612 /nfs/dbraw/zinc/61/86/12/845618612.db2.gz MSCCWWKYXJQPBJ-SUJAAXHWSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001109305713 845618618 /nfs/dbraw/zinc/61/86/18/845618618.db2.gz MSCCWWKYXJQPBJ-SUJAAXHWSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001109305713 845618621 /nfs/dbraw/zinc/61/86/21/845618621.db2.gz MSCCWWKYXJQPBJ-SUJAAXHWSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109474410 845668001 /nfs/dbraw/zinc/66/80/01/845668001.db2.gz VPWZAWPTKUIXDL-VSZNYVQBSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109474410 845668007 /nfs/dbraw/zinc/66/80/07/845668007.db2.gz VPWZAWPTKUIXDL-VSZNYVQBSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109474410 845668011 /nfs/dbraw/zinc/66/80/11/845668011.db2.gz VPWZAWPTKUIXDL-VSZNYVQBSA-N 2 1 353.507 0.837 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650029 845704694 /nfs/dbraw/zinc/70/46/94/845704694.db2.gz OUDFBDLNDYFVKT-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650029 845704700 /nfs/dbraw/zinc/70/47/00/845704700.db2.gz OUDFBDLNDYFVKT-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001109673912 845710835 /nfs/dbraw/zinc/71/08/35/845710835.db2.gz TZIHZWDXKJVARG-AGIUHOORSA-N 2 1 364.412 0.728 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674435 845712564 /nfs/dbraw/zinc/71/25/64/845712564.db2.gz IZNVLSJBKZCTLD-ILXRZTDVSA-N 2 1 352.504 0.891 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674435 845712570 /nfs/dbraw/zinc/71/25/70/845712570.db2.gz IZNVLSJBKZCTLD-ILXRZTDVSA-N 2 1 352.504 0.891 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001109866591 845751699 /nfs/dbraw/zinc/75/16/99/845751699.db2.gz JKEIPCMPXNWULC-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001276794775 861611510 /nfs/dbraw/zinc/61/15/10/861611510.db2.gz AQPXIFSCPIXKAY-PXAZEXFGSA-N 2 1 361.433 0.842 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110682927 845946601 /nfs/dbraw/zinc/94/66/01/845946601.db2.gz IKTLHAKDNHRBNV-FPCVCCKLSA-N 2 1 372.535 0.132 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110682927 845946613 /nfs/dbraw/zinc/94/66/13/845946613.db2.gz IKTLHAKDNHRBNV-FPCVCCKLSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110682927 845946625 /nfs/dbraw/zinc/94/66/25/845946625.db2.gz IKTLHAKDNHRBNV-FPCVCCKLSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110682927 845946630 /nfs/dbraw/zinc/94/66/30/845946630.db2.gz IKTLHAKDNHRBNV-FPCVCCKLSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110960804 846002114 /nfs/dbraw/zinc/00/21/14/846002114.db2.gz JITGAIOUELVFRF-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110960804 846002119 /nfs/dbraw/zinc/00/21/19/846002119.db2.gz JITGAIOUELVFRF-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980232 846007040 /nfs/dbraw/zinc/00/70/40/846007040.db2.gz WAEAKNZLEGUGNB-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980232 846007046 /nfs/dbraw/zinc/00/70/46/846007046.db2.gz WAEAKNZLEGUGNB-FPCVCCKLSA-N 2 1 354.495 0.201 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980233 846007406 /nfs/dbraw/zinc/00/74/06/846007406.db2.gz WAEAKNZLEGUGNB-JJXSEGSLSA-N 2 1 354.495 0.201 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980233 846007410 /nfs/dbraw/zinc/00/74/10/846007410.db2.gz WAEAKNZLEGUGNB-JJXSEGSLSA-N 2 1 354.495 0.201 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)(C)C ZINC001110981724 846007438 /nfs/dbraw/zinc/00/74/38/846007438.db2.gz YRWNMPWJDFEUIL-KFWWJZLASA-N 2 1 353.511 0.757 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001110981724 846007440 /nfs/dbraw/zinc/00/74/40/846007440.db2.gz YRWNMPWJDFEUIL-KFWWJZLASA-N 2 1 353.511 0.757 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001111030855 846018588 /nfs/dbraw/zinc/01/85/88/846018588.db2.gz HNRWRTPJPXQEJT-WCVJEAGWSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C3)C1=O ZINC001111030855 846018591 /nfs/dbraw/zinc/01/85/91/846018591.db2.gz HNRWRTPJPXQEJT-WCVJEAGWSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C3)C1=O ZINC001111030855 846018595 /nfs/dbraw/zinc/01/85/95/846018595.db2.gz HNRWRTPJPXQEJT-WCVJEAGWSA-N 2 1 350.507 0.917 20 0 FCADMP CN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C3)C1=O ZINC001111030855 846018598 /nfs/dbraw/zinc/01/85/98/846018598.db2.gz HNRWRTPJPXQEJT-WCVJEAGWSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001111098370 846032851 /nfs/dbraw/zinc/03/28/51/846032851.db2.gz AVZRMDJYRYKGFH-ZJPYXAASSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111098370 846032858 /nfs/dbraw/zinc/03/28/58/846032858.db2.gz AVZRMDJYRYKGFH-ZJPYXAASSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111098370 846032865 /nfs/dbraw/zinc/03/28/65/846032865.db2.gz AVZRMDJYRYKGFH-ZJPYXAASSA-N 2 1 353.507 0.980 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111233585 846066440 /nfs/dbraw/zinc/06/64/40/846066440.db2.gz RCNFYYBFKJVZFV-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111233585 846066448 /nfs/dbraw/zinc/06/64/48/846066448.db2.gz RCNFYYBFKJVZFV-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111233585 846066453 /nfs/dbraw/zinc/06/64/53/846066453.db2.gz RCNFYYBFKJVZFV-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111233585 846066458 /nfs/dbraw/zinc/06/64/58/846066458.db2.gz RCNFYYBFKJVZFV-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111305421 846081711 /nfs/dbraw/zinc/08/17/11/846081711.db2.gz KXFQQUXAOKGNAK-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111305421 846081718 /nfs/dbraw/zinc/08/17/18/846081718.db2.gz KXFQQUXAOKGNAK-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001111305421 846081724 /nfs/dbraw/zinc/08/17/24/846081724.db2.gz KXFQQUXAOKGNAK-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001111305421 846081729 /nfs/dbraw/zinc/08/17/29/846081729.db2.gz KXFQQUXAOKGNAK-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111307631 846081900 /nfs/dbraw/zinc/08/19/00/846081900.db2.gz ODKYPZAEQMVOLB-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111307631 846081908 /nfs/dbraw/zinc/08/19/08/846081908.db2.gz ODKYPZAEQMVOLB-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111307631 846081915 /nfs/dbraw/zinc/08/19/15/846081915.db2.gz ODKYPZAEQMVOLB-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111307631 846081923 /nfs/dbraw/zinc/08/19/23/846081923.db2.gz ODKYPZAEQMVOLB-VQHPVUNQSA-N 2 1 371.547 0.875 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001111408383 846099203 /nfs/dbraw/zinc/09/92/03/846099203.db2.gz WCHIZJVAZRHVLR-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001111408383 846099208 /nfs/dbraw/zinc/09/92/08/846099208.db2.gz WCHIZJVAZRHVLR-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415353 846103697 /nfs/dbraw/zinc/10/36/97/846103697.db2.gz QFNMEZBJFCMGQL-XDNAFOTISA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111858307 846233365 /nfs/dbraw/zinc/23/33/65/846233365.db2.gz YNDZVAOONNLTFO-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111858307 846233375 /nfs/dbraw/zinc/23/33/75/846233375.db2.gz YNDZVAOONNLTFO-RDJZCZTQSA-N 2 1 359.536 0.734 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859939 846233763 /nfs/dbraw/zinc/23/37/63/846233763.db2.gz IKTPLQROYSLXRN-HKUYNNGSSA-N 2 1 353.507 0.962 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862498 846234603 /nfs/dbraw/zinc/23/46/03/846234603.db2.gz PKLRPALAXMJPAI-WMZOPIPTSA-N 2 1 354.495 0.062 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111907661 846255532 /nfs/dbraw/zinc/25/55/32/846255532.db2.gz GYINNERDFMLDID-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](CC)CC)C2)C1=O ZINC001111910203 846256986 /nfs/dbraw/zinc/25/69/86/846256986.db2.gz SVAKSBYXUROOIT-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915209 846259691 /nfs/dbraw/zinc/25/96/91/846259691.db2.gz RXSSNJZOSJAAKY-SCTDSRPQSA-N 2 1 353.507 0.696 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111937928 846268491 /nfs/dbraw/zinc/26/84/91/846268491.db2.gz CIHDFCMBTSJYSQ-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111937928 846268502 /nfs/dbraw/zinc/26/85/02/846268502.db2.gz CIHDFCMBTSJYSQ-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111937928 846268516 /nfs/dbraw/zinc/26/85/16/846268516.db2.gz CIHDFCMBTSJYSQ-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006172 846292541 /nfs/dbraw/zinc/29/25/41/846292541.db2.gz LMOIEGDMQLJYOY-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112110639 846390195 /nfs/dbraw/zinc/39/01/95/846390195.db2.gz ZDLFCIKBSWMFOG-IJLUTSLNSA-N 2 1 370.391 0.391 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112123501 846401099 /nfs/dbraw/zinc/40/10/99/846401099.db2.gz MSFKAAMCWPOSDK-GHMZBOCLSA-N 2 1 352.401 0.442 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112123501 846401106 /nfs/dbraw/zinc/40/11/06/846401106.db2.gz MSFKAAMCWPOSDK-GHMZBOCLSA-N 2 1 352.401 0.442 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112154614 846422370 /nfs/dbraw/zinc/42/23/70/846422370.db2.gz UTVYPKZSFBKYLZ-GRYCIOLGSA-N 2 1 350.385 0.196 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160099 846425981 /nfs/dbraw/zinc/42/59/81/846425981.db2.gz SEZJSUHQNKRQDM-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP CC(=O)[C@H](C)[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899105 861676208 /nfs/dbraw/zinc/67/62/08/861676208.db2.gz GAEMXQXXSSTGKH-QFBILLFUSA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@H](C)[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899105 861676211 /nfs/dbraw/zinc/67/62/11/861676211.db2.gz GAEMXQXXSSTGKH-QFBILLFUSA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@H](C)[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899105 861676218 /nfs/dbraw/zinc/67/62/18/861676218.db2.gz GAEMXQXXSSTGKH-QFBILLFUSA-N 2 1 350.507 0.526 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112196299 846453797 /nfs/dbraw/zinc/45/37/97/846453797.db2.gz APDRQFUISBCOCJ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112195035 846454343 /nfs/dbraw/zinc/45/43/43/846454343.db2.gz DWQQQZHVFORPMY-IJLUTSLNSA-N 2 1 352.401 0.571 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112198360 846456635 /nfs/dbraw/zinc/45/66/35/846456635.db2.gz QHZJOWIWXWGFJM-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112198360 846456644 /nfs/dbraw/zinc/45/66/44/846456644.db2.gz QHZJOWIWXWGFJM-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112206441 846462806 /nfs/dbraw/zinc/46/28/06/846462806.db2.gz PQQYNCUIPVFACU-CYZMBNFOSA-N 2 1 362.396 0.196 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112206441 846462813 /nfs/dbraw/zinc/46/28/13/846462813.db2.gz PQQYNCUIPVFACU-CYZMBNFOSA-N 2 1 362.396 0.196 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C2)C1 ZINC001112208163 846465007 /nfs/dbraw/zinc/46/50/07/846465007.db2.gz PAKOXDZZMHCGGS-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C2)C1 ZINC001112208163 846465009 /nfs/dbraw/zinc/46/50/09/846465009.db2.gz PAKOXDZZMHCGGS-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112209009 846466593 /nfs/dbraw/zinc/46/65/93/846466593.db2.gz VGMQBDPDAKLFFY-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112209009 846466595 /nfs/dbraw/zinc/46/65/95/846466595.db2.gz VGMQBDPDAKLFFY-JHJVBQTASA-N 2 1 353.385 0.068 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211930 846469250 /nfs/dbraw/zinc/46/92/50/846469250.db2.gz DIYJGURTTSJBCF-YNEHKIRRSA-N 2 1 355.401 0.313 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112423902 846503150 /nfs/dbraw/zinc/50/31/50/846503150.db2.gz LCBJKFOFTGUZLR-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112423902 846503154 /nfs/dbraw/zinc/50/31/54/846503154.db2.gz LCBJKFOFTGUZLR-NTDBWNAOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112436999 846505094 /nfs/dbraw/zinc/50/50/94/846505094.db2.gz RPSCRNLYZTXLTL-FCEWJHQRSA-N 2 1 355.523 0.942 20 0 FCADMP CO[C@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545869 846520518 /nfs/dbraw/zinc/52/05/18/846520518.db2.gz INOKCIJOZNFAME-AOIWGVFYSA-N 2 1 353.507 0.962 20 0 FCADMP CO[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545870 846520606 /nfs/dbraw/zinc/52/06/06/846520606.db2.gz INOKCIJOZNFAME-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112563374 846525236 /nfs/dbraw/zinc/52/52/36/846525236.db2.gz SKAQWYNKIIZIDD-AOIWGVFYSA-N 2 1 353.507 0.555 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001117091180 846884160 /nfs/dbraw/zinc/88/41/60/846884160.db2.gz AJVVTWHMDUYJRK-HOCLYGCPSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001118123439 847289976 /nfs/dbraw/zinc/28/99/76/847289976.db2.gz KSLIPDVRQWKABY-HOTGVXAUSA-N 2 1 352.479 0.356 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330309 847385006 /nfs/dbraw/zinc/38/50/06/847385006.db2.gz KODPVFCAJWHYDR-DRMAHVMPSA-N 2 1 350.507 0.810 20 0 FCADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC001119374648 847827047 /nfs/dbraw/zinc/82/70/47/847827047.db2.gz BTVJGZGTIAIRLY-MSOLQXFVSA-N 2 1 353.507 0.711 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC001119424963 847840180 /nfs/dbraw/zinc/84/01/80/847840180.db2.gz NGNDVZWBRIYMCZ-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556240 848240795 /nfs/dbraw/zinc/24/07/95/848240795.db2.gz RWYZUNZGEDLKSB-HZPDHXFCSA-N 2 1 352.479 0.404 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC001120590448 848249442 /nfs/dbraw/zinc/24/94/42/848249442.db2.gz PJILSDFPJZOUJQ-DZGCQCFKSA-N 2 1 359.264 0.845 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC001120590448 848249448 /nfs/dbraw/zinc/24/94/48/848249448.db2.gz PJILSDFPJZOUJQ-DZGCQCFKSA-N 2 1 359.264 0.845 20 0 FCADMP C[C@H](O)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289576 848334299 /nfs/dbraw/zinc/33/42/99/848334299.db2.gz YPMVJPWXAXKASC-JOHKWTJPSA-N 2 1 353.507 0.884 20 0 FCADMP C[C@H](O)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289576 848334307 /nfs/dbraw/zinc/33/43/07/848334307.db2.gz YPMVJPWXAXKASC-JOHKWTJPSA-N 2 1 353.507 0.884 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3COC4(C[NH2+]C4)C3)CC2)cs1 ZINC001122142203 848453842 /nfs/dbraw/zinc/45/38/42/848453842.db2.gz KXAZDBQNWQOAKS-AWEZNQCLSA-N 2 1 350.488 0.911 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001123564651 848606908 /nfs/dbraw/zinc/60/69/08/848606908.db2.gz ORQVESCJPNOKBL-IRXDYDNUSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC001123614693 848613947 /nfs/dbraw/zinc/61/39/47/848613947.db2.gz OUTDRXITMIURHG-JKSUJKDBSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC001123614693 848613948 /nfs/dbraw/zinc/61/39/48/848613948.db2.gz OUTDRXITMIURHG-JKSUJKDBSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001123614693 848613951 /nfs/dbraw/zinc/61/39/51/848613951.db2.gz OUTDRXITMIURHG-JKSUJKDBSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[NH+]1CCC2(C1)OCCO2)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001123614693 848613952 /nfs/dbraw/zinc/61/39/52/848613952.db2.gz OUTDRXITMIURHG-JKSUJKDBSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC1CC[NH+](C2CCC2)CC1 ZINC001123708132 848628603 /nfs/dbraw/zinc/62/86/03/848628603.db2.gz PAFKSWONQNPWJH-UHFFFAOYSA-N 2 1 352.479 0.751 20 0 FCADMP O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC1CC[NH+](C2CCC2)CC1 ZINC001123708132 848628605 /nfs/dbraw/zinc/62/86/05/848628605.db2.gz PAFKSWONQNPWJH-UHFFFAOYSA-N 2 1 352.479 0.751 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001127644132 848730324 /nfs/dbraw/zinc/73/03/24/848730324.db2.gz WDEQGZLIQFCBKX-GDBMZVCRSA-N 2 1 353.488 0.506 20 0 FCADMP C[C@H](C1CC1)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127644067 848730848 /nfs/dbraw/zinc/73/08/48/848730848.db2.gz SYZBTIXVAOFMNF-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127701703 848732415 /nfs/dbraw/zinc/73/24/15/848732415.db2.gz WQIFTTYUIZBEMQ-RWMBFGLXSA-N 2 1 364.412 0.586 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC(C)C)CC[N@H+]1C ZINC001127705454 848733331 /nfs/dbraw/zinc/73/33/31/848733331.db2.gz DEZACOAJPSKLMK-JKSUJKDBSA-N 2 1 356.511 0.354 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001129029879 848798251 /nfs/dbraw/zinc/79/82/51/848798251.db2.gz NMNRONVHNHCCGT-XHSDSOJGSA-N 2 1 352.458 0.710 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258313 848822926 /nfs/dbraw/zinc/82/29/26/848822926.db2.gz VYENBHHPZILHRH-PMPSAXMXSA-N 2 1 352.483 0.386 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129258313 848822929 /nfs/dbraw/zinc/82/29/29/848822929.db2.gz VYENBHHPZILHRH-PMPSAXMXSA-N 2 1 352.483 0.386 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129986770 848926596 /nfs/dbraw/zinc/92/65/96/848926596.db2.gz LLNUCJBPKBNLJB-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130037926 848934650 /nfs/dbraw/zinc/93/46/50/848934650.db2.gz CGUVRHFJPWVMOC-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130096982 848944460 /nfs/dbraw/zinc/94/44/60/848944460.db2.gz WZWYKIUJDRQVON-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP COc1cccc([C@@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130182564 848960759 /nfs/dbraw/zinc/96/07/59/848960759.db2.gz NIOIPGGPLUNMSS-XOKHGSTOSA-N 2 1 351.447 0.154 20 0 FCADMP COc1cccc([C@@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130182564 848960764 /nfs/dbraw/zinc/96/07/64/848960764.db2.gz NIOIPGGPLUNMSS-XOKHGSTOSA-N 2 1 351.447 0.154 20 0 FCADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130235066 848983344 /nfs/dbraw/zinc/98/33/44/848983344.db2.gz SUGGPMLZTQRJHB-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130235066 848983347 /nfs/dbraw/zinc/98/33/47/848983347.db2.gz SUGGPMLZTQRJHB-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130249087 848988502 /nfs/dbraw/zinc/98/85/02/848988502.db2.gz JDHPBZYWWGUCRH-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130249087 848988511 /nfs/dbraw/zinc/98/85/11/848988511.db2.gz JDHPBZYWWGUCRH-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130249087 848988519 /nfs/dbraw/zinc/98/85/19/848988519.db2.gz JDHPBZYWWGUCRH-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130719333 849028917 /nfs/dbraw/zinc/02/89/17/849028917.db2.gz JYYICJZCCFWWQT-YQQAZPJKSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@@H+](C)CC)n2)O1 ZINC001130813642 849048350 /nfs/dbraw/zinc/04/83/50/849048350.db2.gz VSYQPFRQKMWRCW-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[nH]2)O1 ZINC001130813642 849048356 /nfs/dbraw/zinc/04/83/56/849048356.db2.gz VSYQPFRQKMWRCW-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[nH]2)O1 ZINC001130813642 849048365 /nfs/dbraw/zinc/04/83/65/849048365.db2.gz VSYQPFRQKMWRCW-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001131115536 849080455 /nfs/dbraw/zinc/08/04/55/849080455.db2.gz RGYXRZVLMNBNQR-ARFHVFGLSA-N 2 1 351.495 0.417 20 0 FCADMP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313264 849095100 /nfs/dbraw/zinc/09/51/00/849095100.db2.gz MGODPFSDYFIGNZ-OAGGEKHMSA-N 2 1 352.479 0.700 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277695616 862001611 /nfs/dbraw/zinc/00/16/11/862001611.db2.gz QEMAJYJAQAXHOL-FZMZJTMJSA-N 2 1 351.369 0.312 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC001153324267 849742784 /nfs/dbraw/zinc/74/27/84/849742784.db2.gz AFCJKQSDVVDDOM-QGZVFWFLSA-N 2 1 352.523 0.774 20 0 FCADMP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C[C@@H]2CF)CC1 ZINC001158568223 850059933 /nfs/dbraw/zinc/05/99/33/850059933.db2.gz NOUZBLLGDPTNCR-YQQAZPJKSA-N 3 1 352.498 0.986 20 0 FCADMP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C[C@@H]2CF)CC1 ZINC001158568222 850060824 /nfs/dbraw/zinc/06/08/24/850060824.db2.gz NOUZBLLGDPTNCR-HLLBOEOZSA-N 3 1 352.498 0.986 20 0 FCADMP Cc1nc(CO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]3CCCO[C@H]23)cs1 ZINC001159506578 850120106 /nfs/dbraw/zinc/12/01/06/850120106.db2.gz CTMFBIQFUFQMAS-YJNKXOJESA-N 2 1 354.476 0.403 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159908869 850145499 /nfs/dbraw/zinc/14/54/99/850145499.db2.gz KQQRZTAMPWPNSK-PWNZVWSESA-N 2 1 354.476 0.342 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)O1 ZINC001160850753 850205466 /nfs/dbraw/zinc/20/54/66/850205466.db2.gz GEDIICUNCIFJOH-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)O1 ZINC001160850753 850205481 /nfs/dbraw/zinc/20/54/81/850205481.db2.gz GEDIICUNCIFJOH-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857985 850207753 /nfs/dbraw/zinc/20/77/53/850207753.db2.gz VKEFQXDKAIHTKV-IIAWOOMASA-N 2 1 356.511 0.495 20 0 FCADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857985 850207763 /nfs/dbraw/zinc/20/77/63/850207763.db2.gz VKEFQXDKAIHTKV-IIAWOOMASA-N 2 1 356.511 0.495 20 0 FCADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051355 850225263 /nfs/dbraw/zinc/22/52/63/850225263.db2.gz UEUPISMVRPPINE-HUUCEWRRSA-N 2 1 357.520 0.342 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C[C@H]2C1 ZINC001161175459 850237181 /nfs/dbraw/zinc/23/71/81/850237181.db2.gz MFJYCBOISBEUMU-XQLPTFJDSA-N 2 1 352.479 0.097 20 0 FCADMP C[NH+]1CCC(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)(N2CCOCC2)CC1 ZINC001161816773 850285179 /nfs/dbraw/zinc/28/51/79/850285179.db2.gz RRJHKRSNQBIHSU-MRXNPFEDSA-N 2 1 356.486 0.333 20 0 FCADMP [NH3+]C1CC[NH+](CCNc2nc3scnc3c(N3CCOCC3)n2)CC1 ZINC001161867014 850285515 /nfs/dbraw/zinc/28/55/15/850285515.db2.gz JDQMFOZKVKDBAJ-UHFFFAOYSA-N 2 1 363.491 0.758 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCOC[C@](O)(C(F)(F)F)C3)n2)CC1 ZINC001164296518 850404396 /nfs/dbraw/zinc/40/43/96/850404396.db2.gz ZGAVGRYQIJJYPC-AWEZNQCLSA-N 2 1 361.368 0.534 20 0 FCADMP Cc1nnsc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165729095 850453704 /nfs/dbraw/zinc/45/37/04/850453704.db2.gz YWDJCWUKJGSPBH-TZMCWYRMSA-N 2 1 367.519 0.942 20 0 FCADMP Cc1nnsc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165729095 850453709 /nfs/dbraw/zinc/45/37/09/850453709.db2.gz YWDJCWUKJGSPBH-TZMCWYRMSA-N 2 1 367.519 0.942 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N([C@@H]1C[NH2+]C[C@@H]3CCCO[C@H]13)S(C)(=O)=O)C2 ZINC001169129617 850606908 /nfs/dbraw/zinc/60/69/08/850606908.db2.gz KFQPOKUYKFLIJW-PFHJDOJBSA-N 2 1 357.520 0.640 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CC[NH+](C)CC3)ncn2)O1 ZINC001170271498 850648949 /nfs/dbraw/zinc/64/89/49/850648949.db2.gz BDENNLBBDQEEDQ-CKEIUWERSA-N 2 1 350.467 0.365 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCN(CCC[NH+](C)C)CC2)C[C@@H]1C(=O)OC ZINC001173582498 850730069 /nfs/dbraw/zinc/73/00/69/850730069.db2.gz LXQJZIBJXRFYSA-MUJYYYPQSA-N 2 1 355.479 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)CC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178731173 850921471 /nfs/dbraw/zinc/92/14/71/850921471.db2.gz NSIVTAIIOIDKKM-WTTBNOFXSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N2CCC2)O1 ZINC001178810884 850932640 /nfs/dbraw/zinc/93/26/40/850932640.db2.gz NGGUWWFKIAEVDS-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N2CCC2)O1 ZINC001178810884 850932644 /nfs/dbraw/zinc/93/26/44/850932644.db2.gz NGGUWWFKIAEVDS-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC=CO2)C[C@]2(CCCC(=O)N2)C1 ZINC001278141256 862210491 /nfs/dbraw/zinc/21/04/91/862210491.db2.gz UVULKNXYEJUMFP-MJGOQNOKSA-N 2 1 350.507 0.897 20 0 FCADMP C[N@H+](CC(=O)NC1(C[NH3+])COC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814796 851271770 /nfs/dbraw/zinc/27/17/70/851271770.db2.gz JYPCDHDADPLGAR-ZDUSSCGKSA-N 2 1 356.467 0.162 20 0 FCADMP C[N@@H+](CC(=O)NC1(C[NH3+])COC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814796 851271775 /nfs/dbraw/zinc/27/17/75/851271775.db2.gz JYPCDHDADPLGAR-ZDUSSCGKSA-N 2 1 356.467 0.162 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001185254251 851345924 /nfs/dbraw/zinc/34/59/24/851345924.db2.gz ZQUOJUUWLJDREZ-PMPSAXMXSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001185254251 851345931 /nfs/dbraw/zinc/34/59/31/851345931.db2.gz ZQUOJUUWLJDREZ-PMPSAXMXSA-N 2 1 363.531 0.812 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001185254251 851345941 /nfs/dbraw/zinc/34/59/41/851345941.db2.gz ZQUOJUUWLJDREZ-PMPSAXMXSA-N 2 1 363.531 0.812 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001186116618 851412293 /nfs/dbraw/zinc/41/22/93/851412293.db2.gz JCYDBGJHOJJCAS-JYJNAYRXSA-N 2 1 353.463 0.241 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001186116618 851412299 /nfs/dbraw/zinc/41/22/99/851412299.db2.gz JCYDBGJHOJJCAS-JYJNAYRXSA-N 2 1 353.463 0.241 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001186353536 851427820 /nfs/dbraw/zinc/42/78/20/851427820.db2.gz JGFRXZQAYKOGLB-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001186369562 851429321 /nfs/dbraw/zinc/42/93/21/851429321.db2.gz CROQMTLLWAQIDM-AWEZNQCLSA-N 2 1 366.487 0.274 20 0 FCADMP COCOCCC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278203978 862253032 /nfs/dbraw/zinc/25/30/32/862253032.db2.gz JIRISRPDWFACRH-SFHVURJKSA-N 2 1 356.511 0.215 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305299 851543504 /nfs/dbraw/zinc/54/35/04/851543504.db2.gz VDEUMPLHWYJVBP-HRCADAONSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305299 851543507 /nfs/dbraw/zinc/54/35/07/851543507.db2.gz VDEUMPLHWYJVBP-HRCADAONSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305299 851543518 /nfs/dbraw/zinc/54/35/18/851543518.db2.gz VDEUMPLHWYJVBP-HRCADAONSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305299 851543530 /nfs/dbraw/zinc/54/35/30/851543530.db2.gz VDEUMPLHWYJVBP-HRCADAONSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305298 851543761 /nfs/dbraw/zinc/54/37/61/851543761.db2.gz VDEUMPLHWYJVBP-ARFHVFGLSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305298 851543774 /nfs/dbraw/zinc/54/37/74/851543774.db2.gz VDEUMPLHWYJVBP-ARFHVFGLSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305298 851543786 /nfs/dbraw/zinc/54/37/86/851543786.db2.gz VDEUMPLHWYJVBP-ARFHVFGLSA-N 2 1 351.495 0.321 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305298 851543793 /nfs/dbraw/zinc/54/37/93/851543793.db2.gz VDEUMPLHWYJVBP-ARFHVFGLSA-N 2 1 351.495 0.321 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCOCCOC)C[C@H]21 ZINC001188107804 851646455 /nfs/dbraw/zinc/64/64/55/851646455.db2.gz YYZZMAJIQKHAJC-YESZJQIVSA-N 2 1 359.486 0.862 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917684 851733471 /nfs/dbraw/zinc/73/34/71/851733471.db2.gz ICJKOIZMFTVBGS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917684 851733475 /nfs/dbraw/zinc/73/34/75/851733475.db2.gz ICJKOIZMFTVBGS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917684 851733477 /nfs/dbraw/zinc/73/34/77/851733477.db2.gz ICJKOIZMFTVBGS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917684 851733481 /nfs/dbraw/zinc/73/34/81/851733481.db2.gz ICJKOIZMFTVBGS-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979499 851738892 /nfs/dbraw/zinc/73/88/92/851738892.db2.gz OSKGEPIBJBMYGM-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979499 851738900 /nfs/dbraw/zinc/73/89/00/851738900.db2.gz OSKGEPIBJBMYGM-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970440 851739603 /nfs/dbraw/zinc/73/96/03/851739603.db2.gz HZGUENWPJYBNKD-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970440 851739607 /nfs/dbraw/zinc/73/96/07/851739607.db2.gz HZGUENWPJYBNKD-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433805 851789928 /nfs/dbraw/zinc/78/99/28/851789928.db2.gz WJGAFXFIBBWDHG-GVDBMIGSSA-N 2 1 350.463 0.512 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433805 851789935 /nfs/dbraw/zinc/78/99/35/851789935.db2.gz WJGAFXFIBBWDHG-GVDBMIGSSA-N 2 1 350.463 0.512 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189433253 851789996 /nfs/dbraw/zinc/78/99/96/851789996.db2.gz KVXHGYLCXNCZCO-DLBZAZTESA-N 2 1 350.463 0.513 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189433253 851790006 /nfs/dbraw/zinc/79/00/06/851790006.db2.gz KVXHGYLCXNCZCO-DLBZAZTESA-N 2 1 350.463 0.513 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189484069 851795710 /nfs/dbraw/zinc/79/57/10/851795710.db2.gz AQJVUMOLLRLVFA-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001189484069 851795718 /nfs/dbraw/zinc/79/57/18/851795718.db2.gz AQJVUMOLLRLVFA-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001189882069 851835171 /nfs/dbraw/zinc/83/51/71/851835171.db2.gz ZUAPOLLILFNREA-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001189882069 851835176 /nfs/dbraw/zinc/83/51/76/851835176.db2.gz ZUAPOLLILFNREA-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176133 851870786 /nfs/dbraw/zinc/87/07/86/851870786.db2.gz CDKWEKWPYPFDTK-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176133 851870788 /nfs/dbraw/zinc/87/07/88/851870788.db2.gz CDKWEKWPYPFDTK-HRCADAONSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001190237675 851881402 /nfs/dbraw/zinc/88/14/02/851881402.db2.gz CXMREIWVISXQAD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001190237675 851881403 /nfs/dbraw/zinc/88/14/03/851881403.db2.gz CXMREIWVISXQAD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001190237675 851881407 /nfs/dbraw/zinc/88/14/07/851881407.db2.gz CXMREIWVISXQAD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001190237675 851881410 /nfs/dbraw/zinc/88/14/10/851881410.db2.gz CXMREIWVISXQAD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001190237675 851881414 /nfs/dbraw/zinc/88/14/14/851881414.db2.gz CXMREIWVISXQAD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238327 851882000 /nfs/dbraw/zinc/88/20/00/851882000.db2.gz LGEOYFYKGOZHED-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238327 851882005 /nfs/dbraw/zinc/88/20/05/851882005.db2.gz LGEOYFYKGOZHED-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238327 851882011 /nfs/dbraw/zinc/88/20/11/851882011.db2.gz LGEOYFYKGOZHED-OWCLPIDISA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351212 851895210 /nfs/dbraw/zinc/89/52/10/851895210.db2.gz UPZDHWDPYHBEPB-RCCFBDPRSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351212 851895216 /nfs/dbraw/zinc/89/52/16/851895216.db2.gz UPZDHWDPYHBEPB-RCCFBDPRSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351212 851895221 /nfs/dbraw/zinc/89/52/21/851895221.db2.gz UPZDHWDPYHBEPB-RCCFBDPRSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351211 851895411 /nfs/dbraw/zinc/89/54/11/851895411.db2.gz UPZDHWDPYHBEPB-OKZBNKHCSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351211 851895416 /nfs/dbraw/zinc/89/54/16/851895416.db2.gz UPZDHWDPYHBEPB-OKZBNKHCSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351211 851895420 /nfs/dbraw/zinc/89/54/20/851895420.db2.gz UPZDHWDPYHBEPB-OKZBNKHCSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370267 851897453 /nfs/dbraw/zinc/89/74/53/851897453.db2.gz AOTPFGCQUHWAMA-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370267 851897462 /nfs/dbraw/zinc/89/74/62/851897462.db2.gz AOTPFGCQUHWAMA-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001190370267 851897474 /nfs/dbraw/zinc/89/74/74/851897474.db2.gz AOTPFGCQUHWAMA-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CN(CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)C(=O)OC(C)(C)C ZINC001278480386 862345573 /nfs/dbraw/zinc/34/55/73/862345573.db2.gz PVRQBGDAXBKPST-CVEARBPZSA-N 2 1 356.511 0.800 20 0 FCADMP CN(CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)C(=O)OC(C)(C)C ZINC001278480386 862345592 /nfs/dbraw/zinc/34/55/92/862345592.db2.gz PVRQBGDAXBKPST-CVEARBPZSA-N 2 1 356.511 0.800 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001193024299 852339692 /nfs/dbraw/zinc/33/96/92/852339692.db2.gz KCZKOWIXQOCNFC-RCCFBDPRSA-N 2 1 351.491 0.306 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001193024299 852339697 /nfs/dbraw/zinc/33/96/97/852339697.db2.gz KCZKOWIXQOCNFC-RCCFBDPRSA-N 2 1 351.491 0.306 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193892049 852501493 /nfs/dbraw/zinc/50/14/93/852501493.db2.gz CMAVHFHBIQCWQS-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193892049 852501498 /nfs/dbraw/zinc/50/14/98/852501498.db2.gz CMAVHFHBIQCWQS-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193892049 852501503 /nfs/dbraw/zinc/50/15/03/852501503.db2.gz CMAVHFHBIQCWQS-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001194264977 852569504 /nfs/dbraw/zinc/56/95/04/852569504.db2.gz JOQXIZKHIWQFSD-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001194264977 852569505 /nfs/dbraw/zinc/56/95/05/852569505.db2.gz JOQXIZKHIWQFSD-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)CCCC1 ZINC001195006533 852692248 /nfs/dbraw/zinc/69/22/48/852692248.db2.gz KYZRPZMKVQYKGW-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001195594833 852793553 /nfs/dbraw/zinc/79/35/53/852793553.db2.gz WBVUORGYYOEGHH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)CC[N@H+]1C ZINC001195594833 852793558 /nfs/dbraw/zinc/79/35/58/852793558.db2.gz WBVUORGYYOEGHH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)CC[NH+]1C ZINC001195594833 852793563 /nfs/dbraw/zinc/79/35/63/852793563.db2.gz WBVUORGYYOEGHH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)CC[NH+]1C ZINC001195594833 852793568 /nfs/dbraw/zinc/79/35/68/852793568.db2.gz WBVUORGYYOEGHH-DZJNRPSUSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001195709051 852816835 /nfs/dbraw/zinc/81/68/35/852816835.db2.gz WDSBJXKOMXXGIG-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001195709051 852816840 /nfs/dbraw/zinc/81/68/40/852816840.db2.gz WDSBJXKOMXXGIG-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207897 852915231 /nfs/dbraw/zinc/91/52/31/852915231.db2.gz WCVQFJZIBXRESW-CHWSQXEVSA-N 2 1 351.438 0.407 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207897 852915240 /nfs/dbraw/zinc/91/52/40/852915240.db2.gz WCVQFJZIBXRESW-CHWSQXEVSA-N 2 1 351.438 0.407 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207897 852915248 /nfs/dbraw/zinc/91/52/48/852915248.db2.gz WCVQFJZIBXRESW-CHWSQXEVSA-N 2 1 351.438 0.407 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207897 852915252 /nfs/dbraw/zinc/91/52/52/852915252.db2.gz WCVQFJZIBXRESW-CHWSQXEVSA-N 2 1 351.438 0.407 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001196666864 852993842 /nfs/dbraw/zinc/99/38/42/852993842.db2.gz HXRXTKRNFLEXHM-BZUAXINKSA-N 2 1 352.479 0.719 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001196666864 852993847 /nfs/dbraw/zinc/99/38/47/852993847.db2.gz HXRXTKRNFLEXHM-BZUAXINKSA-N 2 1 352.479 0.719 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940987 853036985 /nfs/dbraw/zinc/03/69/85/853036985.db2.gz ZCJAGVVODZYNLH-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940987 853036988 /nfs/dbraw/zinc/03/69/88/853036988.db2.gz ZCJAGVVODZYNLH-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940984 853037243 /nfs/dbraw/zinc/03/72/43/853037243.db2.gz ZBRQNPLPDWYBMY-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940984 853037250 /nfs/dbraw/zinc/03/72/50/853037250.db2.gz ZBRQNPLPDWYBMY-IAGOWNOFSA-N 2 1 357.495 0.077 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001197049683 853052652 /nfs/dbraw/zinc/05/26/52/853052652.db2.gz QEJASABICXOKOL-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001197049683 853052654 /nfs/dbraw/zinc/05/26/54/853052654.db2.gz QEJASABICXOKOL-IAGOWNOFSA-N 2 1 353.438 0.708 20 0 FCADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825764 853167894 /nfs/dbraw/zinc/16/78/94/853167894.db2.gz HZRALZZUGULVLG-IAGOWNOFSA-N 2 1 369.893 0.888 20 0 FCADMP Cc1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825764 853167898 /nfs/dbraw/zinc/16/78/98/853167898.db2.gz HZRALZZUGULVLG-IAGOWNOFSA-N 2 1 369.893 0.888 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1O ZINC001197826207 853168658 /nfs/dbraw/zinc/16/86/58/853168658.db2.gz QOFCGRBJAIITLK-IAGOWNOFSA-N 2 1 369.893 0.622 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197926313 853187902 /nfs/dbraw/zinc/18/79/02/853187902.db2.gz KTVMINUVUNOZBA-ZIAGYGMSSA-N 2 1 369.428 0.849 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001197954972 853190821 /nfs/dbraw/zinc/19/08/21/853190821.db2.gz IVEXGUPAVHVEQN-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001199057438 853361421 /nfs/dbraw/zinc/36/14/21/853361421.db2.gz JSWDCJTZGWJSMT-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCC(F)F)C2)CC[N@H+]1C ZINC001200547452 853502466 /nfs/dbraw/zinc/50/24/66/853502466.db2.gz NETRYKDJXUHJCS-QLFBSQMISA-N 2 1 363.449 0.815 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001200554340 853502508 /nfs/dbraw/zinc/50/25/08/853502508.db2.gz IXJAEANQAKOYKD-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001200644045 853507269 /nfs/dbraw/zinc/50/72/69/853507269.db2.gz IIVDOMJLEPBFDP-RHSMWYFYSA-N 2 1 350.507 0.918 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979466 853775649 /nfs/dbraw/zinc/77/56/49/853775649.db2.gz YDJVJKZJNMSYKA-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979466 853775656 /nfs/dbraw/zinc/77/56/56/853775656.db2.gz YDJVJKZJNMSYKA-HYVNUMGLSA-N 2 1 350.507 0.681 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232147 853792930 /nfs/dbraw/zinc/79/29/30/853792930.db2.gz QTZHGVDCXYZYST-BPLDGKMQSA-N 2 1 355.504 0.867 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232147 853792934 /nfs/dbraw/zinc/79/29/34/853792934.db2.gz QTZHGVDCXYZYST-BPLDGKMQSA-N 2 1 355.504 0.867 20 0 FCADMP O=C(CO[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21)N1CCCC1 ZINC001207435810 853812237 /nfs/dbraw/zinc/81/22/37/853812237.db2.gz WCOWAPVHSYSPSS-AOIWGVFYSA-N 2 1 351.491 0.857 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CNC(=O)C[N@@H+]2CC1CC[NH2+]CC1 ZINC001207436267 853813418 /nfs/dbraw/zinc/81/34/18/853813418.db2.gz ZKRQLZKGAZMTBK-GOSISDBHSA-N 2 1 352.479 0.797 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CNC(=O)C[N@H+]2CC1CC[NH2+]CC1 ZINC001207436267 853813421 /nfs/dbraw/zinc/81/34/21/853813421.db2.gz ZKRQLZKGAZMTBK-GOSISDBHSA-N 2 1 352.479 0.797 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207547384 853823424 /nfs/dbraw/zinc/82/34/24/853823424.db2.gz USNQIGOPUVKISG-KYJSFNMBSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207547384 853823428 /nfs/dbraw/zinc/82/34/28/853823428.db2.gz USNQIGOPUVKISG-KYJSFNMBSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568114 853827209 /nfs/dbraw/zinc/82/72/09/853827209.db2.gz PGMNBIPQIDRIIV-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568114 853827212 /nfs/dbraw/zinc/82/72/12/853827212.db2.gz PGMNBIPQIDRIIV-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568114 853827219 /nfs/dbraw/zinc/82/72/19/853827219.db2.gz PGMNBIPQIDRIIV-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568114 853827225 /nfs/dbraw/zinc/82/72/25/853827225.db2.gz PGMNBIPQIDRIIV-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207600926 853828571 /nfs/dbraw/zinc/82/85/71/853828571.db2.gz CYGRRNIIZSLOIV-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207600926 853828576 /nfs/dbraw/zinc/82/85/76/853828576.db2.gz CYGRRNIIZSLOIV-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207600926 853828579 /nfs/dbraw/zinc/82/85/79/853828579.db2.gz CYGRRNIIZSLOIV-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207600926 853828586 /nfs/dbraw/zinc/82/85/86/853828586.db2.gz CYGRRNIIZSLOIV-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207602813 853829363 /nfs/dbraw/zinc/82/93/63/853829363.db2.gz VQECTIJCYRBFJC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207602813 853829366 /nfs/dbraw/zinc/82/93/66/853829366.db2.gz VQECTIJCYRBFJC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207602813 853829371 /nfs/dbraw/zinc/82/93/71/853829371.db2.gz VQECTIJCYRBFJC-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070072 853890656 /nfs/dbraw/zinc/89/06/56/853890656.db2.gz CKTWEFFOAAQJTK-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001208073162 853891695 /nfs/dbraw/zinc/89/16/95/853891695.db2.gz DJNSUHCGTINRRP-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCCc2ccsc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496039 853943424 /nfs/dbraw/zinc/94/34/24/853943424.db2.gz HVWNYBKAJQDZBZ-GDBMZVCRSA-N 2 1 366.531 0.795 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCCc2ccsc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496039 853943427 /nfs/dbraw/zinc/94/34/27/853943427.db2.gz HVWNYBKAJQDZBZ-GDBMZVCRSA-N 2 1 366.531 0.795 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](CC2CN(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001208621871 853961408 /nfs/dbraw/zinc/96/14/08/853961408.db2.gz AXANPKWCVQGCBK-UHFFFAOYSA-N 2 1 354.495 0.949 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208646167 853962506 /nfs/dbraw/zinc/96/25/06/853962506.db2.gz FULMMFYMATUSMA-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208646167 853962511 /nfs/dbraw/zinc/96/25/11/853962511.db2.gz FULMMFYMATUSMA-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208646167 853962515 /nfs/dbraw/zinc/96/25/15/853962515.db2.gz FULMMFYMATUSMA-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP C[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506678 854032812 /nfs/dbraw/zinc/03/28/12/854032812.db2.gz QSZVJZMIGNSTPE-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506678 854032820 /nfs/dbraw/zinc/03/28/20/854032820.db2.gz QSZVJZMIGNSTPE-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040148 854072745 /nfs/dbraw/zinc/07/27/45/854072745.db2.gz BUNNHWVBGIADCO-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040148 854072751 /nfs/dbraw/zinc/07/27/51/854072751.db2.gz BUNNHWVBGIADCO-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210040148 854072758 /nfs/dbraw/zinc/07/27/58/854072758.db2.gz BUNNHWVBGIADCO-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179559 854087302 /nfs/dbraw/zinc/08/73/02/854087302.db2.gz PKVDCBRABMNWDJ-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179559 854087303 /nfs/dbraw/zinc/08/73/03/854087303.db2.gz PKVDCBRABMNWDJ-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315018 854099506 /nfs/dbraw/zinc/09/95/06/854099506.db2.gz INLYAYKCCKNFOV-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315018 854099511 /nfs/dbraw/zinc/09/95/11/854099511.db2.gz INLYAYKCCKNFOV-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315053 854099634 /nfs/dbraw/zinc/09/96/34/854099634.db2.gz KKISTTMSYHVPEU-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315053 854099635 /nfs/dbraw/zinc/09/96/35/854099635.db2.gz KKISTTMSYHVPEU-HUUCEWRRSA-N 2 1 356.511 0.306 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330020 854100708 /nfs/dbraw/zinc/10/07/08/854100708.db2.gz LNFIFSARFMGUDJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330020 854100718 /nfs/dbraw/zinc/10/07/18/854100718.db2.gz LNFIFSARFMGUDJ-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330476 854101519 /nfs/dbraw/zinc/10/15/19/854101519.db2.gz ZUICVNSCVVSMIV-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211024929 854147924 /nfs/dbraw/zinc/14/79/24/854147924.db2.gz BYZQVTGGGFRXEX-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211024929 854147925 /nfs/dbraw/zinc/14/79/25/854147925.db2.gz BYZQVTGGGFRXEX-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211024929 854147926 /nfs/dbraw/zinc/14/79/26/854147926.db2.gz BYZQVTGGGFRXEX-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211024929 854147927 /nfs/dbraw/zinc/14/79/27/854147927.db2.gz BYZQVTGGGFRXEX-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094898 854157201 /nfs/dbraw/zinc/15/72/01/854157201.db2.gz XONFOTBLTBKOCZ-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191287 854167908 /nfs/dbraw/zinc/16/79/08/854167908.db2.gz HMYKZDPUVNZQRN-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191287 854167910 /nfs/dbraw/zinc/16/79/10/854167910.db2.gz HMYKZDPUVNZQRN-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191287 854167913 /nfs/dbraw/zinc/16/79/13/854167913.db2.gz HMYKZDPUVNZQRN-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2C)C1 ZINC001211191287 854167916 /nfs/dbraw/zinc/16/79/16/854167916.db2.gz HMYKZDPUVNZQRN-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299881 854174823 /nfs/dbraw/zinc/17/48/23/854174823.db2.gz AGELAGBVMXMRIC-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299881 854174826 /nfs/dbraw/zinc/17/48/26/854174826.db2.gz AGELAGBVMXMRIC-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326397 854177075 /nfs/dbraw/zinc/17/70/75/854177075.db2.gz MMHLISNBMUUDJD-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326397 854177081 /nfs/dbraw/zinc/17/70/81/854177081.db2.gz MMHLISNBMUUDJD-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369886 854182610 /nfs/dbraw/zinc/18/26/10/854182610.db2.gz SDGNXKYUGWSODF-MGPQQGTHSA-N 2 1 369.428 0.703 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369886 854182612 /nfs/dbraw/zinc/18/26/12/854182612.db2.gz SDGNXKYUGWSODF-MGPQQGTHSA-N 2 1 369.428 0.703 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001211369886 854182619 /nfs/dbraw/zinc/18/26/19/854182619.db2.gz SDGNXKYUGWSODF-MGPQQGTHSA-N 2 1 369.428 0.703 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409384 854467086 /nfs/dbraw/zinc/46/70/86/854467086.db2.gz FAXBDUHXJNAYHF-KZNAEPCWSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409382 854467253 /nfs/dbraw/zinc/46/72/53/854467253.db2.gz FAXBDUHXJNAYHF-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416492 854470642 /nfs/dbraw/zinc/47/06/42/854470642.db2.gz MKENKPQLXHOUJO-RBSFLKMASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416492 854470643 /nfs/dbraw/zinc/47/06/43/854470643.db2.gz MKENKPQLXHOUJO-RBSFLKMASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416492 854470645 /nfs/dbraw/zinc/47/06/45/854470645.db2.gz MKENKPQLXHOUJO-RBSFLKMASA-N 2 1 361.433 0.710 20 0 FCADMP CO[C@@H]1C[NH+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416492 854470648 /nfs/dbraw/zinc/47/06/48/854470648.db2.gz MKENKPQLXHOUJO-RBSFLKMASA-N 2 1 361.433 0.710 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495352 854501087 /nfs/dbraw/zinc/50/10/87/854501087.db2.gz CPKQRPKXECWOAD-USXIJHARSA-N 2 1 350.463 0.758 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CCC1 ZINC001213342190 854582533 /nfs/dbraw/zinc/58/25/33/854582533.db2.gz LBFKNGSDOKHJCI-IXDOHACOSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399891 854602834 /nfs/dbraw/zinc/60/28/34/854602834.db2.gz PQFNOZWPCUBCFH-UMVBOHGHSA-N 2 1 351.438 0.670 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399891 854602836 /nfs/dbraw/zinc/60/28/36/854602836.db2.gz PQFNOZWPCUBCFH-UMVBOHGHSA-N 2 1 351.438 0.670 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580402 854674341 /nfs/dbraw/zinc/67/43/41/854674341.db2.gz AWRBJLXQMGFMJM-IAGOWNOFSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580402 854674348 /nfs/dbraw/zinc/67/43/48/854674348.db2.gz AWRBJLXQMGFMJM-IAGOWNOFSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638626 854694189 /nfs/dbraw/zinc/69/41/89/854694189.db2.gz XNLFKXFXTCCZPI-IAGOWNOFSA-N 2 1 357.495 0.339 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213860323 854796230 /nfs/dbraw/zinc/79/62/30/854796230.db2.gz ZKWHZUZDOKKIHH-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213860323 854796236 /nfs/dbraw/zinc/79/62/36/854796236.db2.gz ZKWHZUZDOKKIHH-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863202 854797576 /nfs/dbraw/zinc/79/75/76/854797576.db2.gz HJKOSCINNCZCNC-GVDBMIGSSA-N 2 1 357.495 0.197 20 0 FCADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892762 854814051 /nfs/dbraw/zinc/81/40/51/854814051.db2.gz PHVXHCCYBJHVLS-ZACQAIPSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892762 854814055 /nfs/dbraw/zinc/81/40/55/854814055.db2.gz PHVXHCCYBJHVLS-ZACQAIPSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892762 854814060 /nfs/dbraw/zinc/81/40/60/854814060.db2.gz PHVXHCCYBJHVLS-ZACQAIPSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2OC)C1 ZINC001213892762 854814065 /nfs/dbraw/zinc/81/40/65/854814065.db2.gz PHVXHCCYBJHVLS-ZACQAIPSSA-N 2 1 357.495 0.339 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001214336257 854927069 /nfs/dbraw/zinc/92/70/69/854927069.db2.gz ZSGXIDNKXLQIOK-UPJWGTAASA-N 2 1 364.412 0.538 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214597434 854976053 /nfs/dbraw/zinc/97/60/53/854976053.db2.gz JLOAOLYSXGIYGT-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215540658 855125886 /nfs/dbraw/zinc/12/58/86/855125886.db2.gz PFMDPMHOEORQHZ-ARFHVFGLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215539973 855126021 /nfs/dbraw/zinc/12/60/21/855126021.db2.gz FURRDBWGJRQMBC-BFYDXBDKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215536420 855126693 /nfs/dbraw/zinc/12/66/93/855126693.db2.gz QXNQHOBNWLOIMR-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934051 855158060 /nfs/dbraw/zinc/15/80/60/855158060.db2.gz DOSIRCCJLWCRPK-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001215938687 855158780 /nfs/dbraw/zinc/15/87/80/855158780.db2.gz JQBVFSLONIRNJO-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1 ZINC001216217141 855181008 /nfs/dbraw/zinc/18/10/08/855181008.db2.gz IHZFNMUUXIPZCW-TZMCWYRMSA-N 2 1 351.451 0.700 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216226593 855181554 /nfs/dbraw/zinc/18/15/54/855181554.db2.gz XUWIBZUAWCGDSH-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216383367 855197066 /nfs/dbraw/zinc/19/70/66/855197066.db2.gz KYGXLVLAZPAEAA-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001216757802 855233835 /nfs/dbraw/zinc/23/38/35/855233835.db2.gz MKYGHSGDIRBNAZ-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001216757801 855233877 /nfs/dbraw/zinc/23/38/77/855233877.db2.gz MKYGHSGDIRBNAZ-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216851761 855259097 /nfs/dbraw/zinc/25/90/97/855259097.db2.gz HORRHCZCKZNFSG-OWCLPIDISA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnc(CN3CCCC[C@H]([NH3+])C3=O)o2)C[C@@H](C)O1 ZINC001217726825 855369702 /nfs/dbraw/zinc/36/97/02/855369702.db2.gz NLQQURGAZWBRHP-MCIONIFRSA-N 2 1 351.451 0.561 20 0 FCADMP CC/C=C\CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042257 855523339 /nfs/dbraw/zinc/52/33/39/855523339.db2.gz AOFUMPVRPSXQJW-NQVSYGGRSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C\CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042257 855523342 /nfs/dbraw/zinc/52/33/42/855523342.db2.gz AOFUMPVRPSXQJW-NQVSYGGRSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219042257 855523345 /nfs/dbraw/zinc/52/33/45/855523345.db2.gz AOFUMPVRPSXQJW-NQVSYGGRSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219042257 855523346 /nfs/dbraw/zinc/52/33/46/855523346.db2.gz AOFUMPVRPSXQJW-NQVSYGGRSA-N 2 1 351.491 0.975 20 0 FCADMP Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219417558 855663682 /nfs/dbraw/zinc/66/36/82/855663682.db2.gz WELBLBREKIDSSR-CYBMUJFWSA-N 2 1 350.444 0.319 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001219661046 855758153 /nfs/dbraw/zinc/75/81/53/855758153.db2.gz RBYOQRCUUNLQEW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)CC[N@H+]1C ZINC001219661046 855758157 /nfs/dbraw/zinc/75/81/57/855758157.db2.gz RBYOQRCUUNLQEW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001219661046 855758161 /nfs/dbraw/zinc/75/81/61/855758161.db2.gz RBYOQRCUUNLQEW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001219661046 855758165 /nfs/dbraw/zinc/75/81/65/855758165.db2.gz RBYOQRCUUNLQEW-MLHJIOFPSA-N 2 1 353.507 0.695 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219793605 855815145 /nfs/dbraw/zinc/81/51/45/855815145.db2.gz IMTWTEMVRBPBQZ-QGZVFWFLSA-N 2 1 350.507 0.478 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823327 855831389 /nfs/dbraw/zinc/83/13/89/855831389.db2.gz PFRWZJJPTRXCLQ-UONOGXRCSA-N 3 1 350.488 0.461 20 0 FCADMP CN1C[C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823327 855831396 /nfs/dbraw/zinc/83/13/96/855831396.db2.gz PFRWZJJPTRXCLQ-UONOGXRCSA-N 2 1 350.488 0.461 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867956 855853871 /nfs/dbraw/zinc/85/38/71/855853871.db2.gz VLYOTFBBLFFWKY-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867956 855853874 /nfs/dbraw/zinc/85/38/74/855853874.db2.gz VLYOTFBBLFFWKY-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220062272 855940804 /nfs/dbraw/zinc/94/08/04/855940804.db2.gz SOWMCYMOWJIRPY-HOTGVXAUSA-N 2 1 371.547 0.782 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073634 855946307 /nfs/dbraw/zinc/94/63/07/855946307.db2.gz FZWFDEVZDMCZCY-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073634 855946312 /nfs/dbraw/zinc/94/63/12/855946312.db2.gz FZWFDEVZDMCZCY-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)C1CCCCC1 ZINC001220073634 855946318 /nfs/dbraw/zinc/94/63/18/855946318.db2.gz FZWFDEVZDMCZCY-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209330 856009416 /nfs/dbraw/zinc/00/94/16/856009416.db2.gz KDWANEOVNPDIAQ-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209330 856009424 /nfs/dbraw/zinc/00/94/24/856009424.db2.gz KDWANEOVNPDIAQ-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209330 856009432 /nfs/dbraw/zinc/00/94/32/856009432.db2.gz KDWANEOVNPDIAQ-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209330 856009440 /nfs/dbraw/zinc/00/94/40/856009440.db2.gz KDWANEOVNPDIAQ-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001220230556 856023217 /nfs/dbraw/zinc/02/32/17/856023217.db2.gz KEIGBFPBBBTSEL-ZACQAIPSSA-N 2 1 353.507 0.431 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220234135 856024649 /nfs/dbraw/zinc/02/46/49/856024649.db2.gz WDSBJXKOMXXGIG-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220234135 856024658 /nfs/dbraw/zinc/02/46/58/856024658.db2.gz WDSBJXKOMXXGIG-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220550446 856179960 /nfs/dbraw/zinc/17/99/60/856179960.db2.gz SGAYFOQDAWVCDA-SJORKVTESA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220550446 856179967 /nfs/dbraw/zinc/17/99/67/856179967.db2.gz SGAYFOQDAWVCDA-SJORKVTESA-N 2 1 350.463 0.560 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O)C(C)C ZINC001220572698 856190085 /nfs/dbraw/zinc/19/00/85/856190085.db2.gz GULRWFMXFCIVJD-IXDOHACOSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O)C(C)C ZINC001220572698 856190091 /nfs/dbraw/zinc/19/00/91/856190091.db2.gz GULRWFMXFCIVJD-IXDOHACOSA-N 2 1 359.511 0.177 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CC1 ZINC001220600046 856201991 /nfs/dbraw/zinc/20/19/91/856201991.db2.gz YNUHUYOHXXVITQ-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CC1 ZINC001220600046 856201995 /nfs/dbraw/zinc/20/19/95/856201995.db2.gz YNUHUYOHXXVITQ-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)c1ccc(Br)cc1 ZINC001220605718 856203386 /nfs/dbraw/zinc/20/33/86/856203386.db2.gz WLXGYSPTUZOLOF-QWHCGFSZSA-N 2 1 352.236 0.858 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728507 856267081 /nfs/dbraw/zinc/26/70/81/856267081.db2.gz OFRAYZYODCPJPV-OLMNPRSZSA-N 2 1 353.507 0.431 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1O ZINC001220768719 856290319 /nfs/dbraw/zinc/29/03/19/856290319.db2.gz ZVOCRGAPRODQBK-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220816782 856319390 /nfs/dbraw/zinc/31/93/90/856319390.db2.gz AGNPCQJSUZOUFJ-KGLIPLIRSA-N 2 1 369.428 0.849 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220816782 856319403 /nfs/dbraw/zinc/31/94/03/856319403.db2.gz AGNPCQJSUZOUFJ-KGLIPLIRSA-N 2 1 369.428 0.849 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220816782 856319418 /nfs/dbraw/zinc/31/94/18/856319418.db2.gz AGNPCQJSUZOUFJ-KGLIPLIRSA-N 2 1 369.428 0.849 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826176 856328387 /nfs/dbraw/zinc/32/83/87/856328387.db2.gz QOHPPFFMYGEWDI-XQQFMLRXSA-N 2 1 355.401 0.193 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826176 856328395 /nfs/dbraw/zinc/32/83/95/856328395.db2.gz QOHPPFFMYGEWDI-XQQFMLRXSA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826176 856328402 /nfs/dbraw/zinc/32/84/02/856328402.db2.gz QOHPPFFMYGEWDI-XQQFMLRXSA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220826176 856328408 /nfs/dbraw/zinc/32/84/08/856328408.db2.gz QOHPPFFMYGEWDI-XQQFMLRXSA-N 2 1 355.401 0.193 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)c1 ZINC001220911106 856370147 /nfs/dbraw/zinc/37/01/47/856370147.db2.gz GXTCVYBBLUWZNW-RDJZCZTQSA-N 2 1 350.438 0.462 20 0 FCADMP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220928679 856379051 /nfs/dbraw/zinc/37/90/51/856379051.db2.gz ZGSWESMZPBJMEL-GJZGRUSLSA-N 3 1 352.504 0.405 20 0 FCADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220928679 856379054 /nfs/dbraw/zinc/37/90/54/856379054.db2.gz ZGSWESMZPBJMEL-GJZGRUSLSA-N 3 1 352.504 0.405 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976147 856403661 /nfs/dbraw/zinc/40/36/61/856403661.db2.gz LOFZAPKBJIYKKD-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976147 856403667 /nfs/dbraw/zinc/40/36/67/856403667.db2.gz LOFZAPKBJIYKKD-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976147 856403675 /nfs/dbraw/zinc/40/36/75/856403675.db2.gz LOFZAPKBJIYKKD-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O ZINC001220986892 856409127 /nfs/dbraw/zinc/40/91/27/856409127.db2.gz DIYPWXSEUNROGI-NXHRZFHOSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221073109 856448996 /nfs/dbraw/zinc/44/89/96/856448996.db2.gz GODAFMGVUALMJN-KSZLIROESA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001221073294 856450087 /nfs/dbraw/zinc/45/00/87/856450087.db2.gz OURJBWNYFMWVQH-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407866 856560802 /nfs/dbraw/zinc/56/08/02/856560802.db2.gz FFUDXPCSXUVKOY-AJNGGQMLSA-N 2 1 354.495 0.532 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2cncs2)C[C@]2(CCCC(=O)N2)C1 ZINC001279287466 862812539 /nfs/dbraw/zinc/81/25/39/862812539.db2.gz QBXPVOYWDVOKNB-KRWDZBQOSA-N 2 1 351.520 0.861 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cncs2)C[C@]2(CCCC(=O)N2)C1 ZINC001279287466 862812556 /nfs/dbraw/zinc/81/25/56/862812556.db2.gz QBXPVOYWDVOKNB-KRWDZBQOSA-N 2 1 351.520 0.861 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001221642690 856636066 /nfs/dbraw/zinc/63/60/66/856636066.db2.gz DEXPZPWLHPCFBL-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21)[NH+](C)C ZINC001221642690 856636068 /nfs/dbraw/zinc/63/60/68/856636068.db2.gz DEXPZPWLHPCFBL-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657033 856641991 /nfs/dbraw/zinc/64/19/91/856641991.db2.gz GSJBJCYFPOEXKN-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657033 856641993 /nfs/dbraw/zinc/64/19/93/856641993.db2.gz GSJBJCYFPOEXKN-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657033 856641995 /nfs/dbraw/zinc/64/19/95/856641995.db2.gz GSJBJCYFPOEXKN-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001221657033 856641997 /nfs/dbraw/zinc/64/19/97/856641997.db2.gz GSJBJCYFPOEXKN-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768593 856676947 /nfs/dbraw/zinc/67/69/47/856676947.db2.gz WPADOJOXMMZKKF-VNQPRFMTSA-N 2 1 351.447 0.495 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001221768593 856676951 /nfs/dbraw/zinc/67/69/51/856676951.db2.gz WPADOJOXMMZKKF-VNQPRFMTSA-N 2 1 351.447 0.495 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221791364 856685330 /nfs/dbraw/zinc/68/53/30/856685330.db2.gz IFFQQCIBVQQWGU-HZPDHXFCSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221791364 856685336 /nfs/dbraw/zinc/68/53/36/856685336.db2.gz IFFQQCIBVQQWGU-HZPDHXFCSA-N 2 1 357.520 0.296 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848751 856709399 /nfs/dbraw/zinc/70/93/99/856709399.db2.gz FEBKVXPBTHQDPY-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848751 856709406 /nfs/dbraw/zinc/70/94/06/856709406.db2.gz FEBKVXPBTHQDPY-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221919415 856732745 /nfs/dbraw/zinc/73/27/45/856732745.db2.gz NKGFTGXKIMMWNZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221919415 856732755 /nfs/dbraw/zinc/73/27/55/856732755.db2.gz NKGFTGXKIMMWNZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221919415 856732761 /nfs/dbraw/zinc/73/27/61/856732761.db2.gz NKGFTGXKIMMWNZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221919415 856732769 /nfs/dbraw/zinc/73/27/69/856732769.db2.gz NKGFTGXKIMMWNZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCC3CCOCC3)C[C@H]21 ZINC001221950677 856746381 /nfs/dbraw/zinc/74/63/81/856746381.db2.gz SNPKKFGYKZFIOU-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950571 856746391 /nfs/dbraw/zinc/74/63/91/856746391.db2.gz NVFREWCYHXNKOP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950571 856746394 /nfs/dbraw/zinc/74/63/94/856746394.db2.gz NVFREWCYHXNKOP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950571 856746396 /nfs/dbraw/zinc/74/63/96/856746396.db2.gz NVFREWCYHXNKOP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001221950571 856746399 /nfs/dbraw/zinc/74/63/99/856746399.db2.gz NVFREWCYHXNKOP-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962729 856750598 /nfs/dbraw/zinc/75/05/98/856750598.db2.gz SMODGPNFLMPIGO-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962729 856750605 /nfs/dbraw/zinc/75/06/05/856750605.db2.gz SMODGPNFLMPIGO-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001221967246 856753134 /nfs/dbraw/zinc/75/31/34/856753134.db2.gz YYINEVKNNDIALU-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221967246 856753140 /nfs/dbraw/zinc/75/31/40/856753140.db2.gz YYINEVKNNDIALU-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001221967246 856753147 /nfs/dbraw/zinc/75/31/47/856753147.db2.gz YYINEVKNNDIALU-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972699 856755458 /nfs/dbraw/zinc/75/54/58/856755458.db2.gz FPVDUICMFWQWRG-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972699 856755462 /nfs/dbraw/zinc/75/54/62/856755462.db2.gz FPVDUICMFWQWRG-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221972699 856755466 /nfs/dbraw/zinc/75/54/66/856755466.db2.gz FPVDUICMFWQWRG-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222017910 856767710 /nfs/dbraw/zinc/76/77/10/856767710.db2.gz BOVPIHZUOWQFDX-KZNAEPCWSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222017911 856768065 /nfs/dbraw/zinc/76/80/65/856768065.db2.gz BOVPIHZUOWQFDX-RCCFBDPRSA-N 2 1 353.507 0.914 20 0 FCADMP CN1CCN(c2ncc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)s2)CC1 ZINC001222497448 856846594 /nfs/dbraw/zinc/84/65/94/856846594.db2.gz KFWQJNRBAVUYCQ-HOTGVXAUSA-N 2 1 350.536 0.421 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245346 856903591 /nfs/dbraw/zinc/90/35/91/856903591.db2.gz AFTIQBRTIFZVJA-IKGGRYGDSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)CC[N@H+]1C ZINC001223354744 856910715 /nfs/dbraw/zinc/91/07/15/856910715.db2.gz PWIJJHVEAHWZRE-MHORFTMASA-N 2 1 353.507 0.648 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)CC[NH+]1C ZINC001223354744 856910717 /nfs/dbraw/zinc/91/07/17/856910717.db2.gz PWIJJHVEAHWZRE-MHORFTMASA-N 2 1 353.507 0.648 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)CC[NH+]1C ZINC001223354744 856910719 /nfs/dbraw/zinc/91/07/19/856910719.db2.gz PWIJJHVEAHWZRE-MHORFTMASA-N 2 1 353.507 0.648 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001223379193 856912224 /nfs/dbraw/zinc/91/22/24/856912224.db2.gz SWZUFUSRQWLSAE-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223429782 856914477 /nfs/dbraw/zinc/91/44/77/856914477.db2.gz AYKYSYFPHXKCKS-CABCVRRESA-N 2 1 350.463 0.010 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223430520 856915155 /nfs/dbraw/zinc/91/51/55/856915155.db2.gz MIUULCPRMZIZQX-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430129 856915222 /nfs/dbraw/zinc/91/52/22/856915222.db2.gz HKZGXAXLAWQINK-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430129 856915224 /nfs/dbraw/zinc/91/52/24/856915224.db2.gz HKZGXAXLAWQINK-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001223429886 856915263 /nfs/dbraw/zinc/91/52/63/856915263.db2.gz DAMWSAOSGADQBI-BBWFWOEESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1 ZINC001223430705 856915282 /nfs/dbraw/zinc/91/52/82/856915282.db2.gz PNDXOHRNPMQLSC-SJORKVTESA-N 2 1 371.547 0.686 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505701 856921167 /nfs/dbraw/zinc/92/11/67/856921167.db2.gz OCHKKSSEJKFOGQ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505701 856921172 /nfs/dbraw/zinc/92/11/72/856921172.db2.gz OCHKKSSEJKFOGQ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505701 856921179 /nfs/dbraw/zinc/92/11/79/856921179.db2.gz OCHKKSSEJKFOGQ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505701 856921181 /nfs/dbraw/zinc/92/11/81/856921181.db2.gz OCHKKSSEJKFOGQ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226615498 857115268 /nfs/dbraw/zinc/11/52/68/857115268.db2.gz WQRWXUBGJAPKDG-BZUAXINKSA-N 2 1 359.536 0.922 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226615498 857115272 /nfs/dbraw/zinc/11/52/72/857115272.db2.gz WQRWXUBGJAPKDG-BZUAXINKSA-N 2 1 359.536 0.922 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NCC3CCC3)CC2)CC[N@@H+]1C ZINC001227442601 857160751 /nfs/dbraw/zinc/16/07/51/857160751.db2.gz AAQLELPUBCDVQD-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NCC3CCC3)CC2)CC[N@H+]1C ZINC001227442601 857160758 /nfs/dbraw/zinc/16/07/58/857160758.db2.gz AAQLELPUBCDVQD-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP COCCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443413 857160833 /nfs/dbraw/zinc/16/08/33/857160833.db2.gz JVOFRRIDSKMDPU-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443413 857160836 /nfs/dbraw/zinc/16/08/36/857160836.db2.gz JVOFRRIDSKMDPU-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227614283 857167234 /nfs/dbraw/zinc/16/72/34/857167234.db2.gz XCXYJSVMRHOULN-RVKOJVRFSA-N 2 1 351.491 0.903 20 0 FCADMP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703836 857170582 /nfs/dbraw/zinc/17/05/82/857170582.db2.gz NXFPKXLQGDXZTQ-ZACQAIPSSA-N 2 1 371.547 0.922 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229869082 857291224 /nfs/dbraw/zinc/29/12/24/857291224.db2.gz WUTXHMMIVNTMPE-GVDBMIGSSA-N 2 1 359.511 0.369 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138274 857306827 /nfs/dbraw/zinc/30/68/27/857306827.db2.gz MIYHQDLXKKMSSL-BZUAXINKSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001230284948 857322754 /nfs/dbraw/zinc/32/27/54/857322754.db2.gz YQAAQRALVXPDRA-ARFHVFGLSA-N 2 1 359.536 0.778 20 0 FCADMP COCC[N@H+]1CCOC[C@]2(CCCN(Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363398 /nfs/dbraw/zinc/36/33/98/857363398.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 1 352.435 0.449 20 0 FCADMP COCCN1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363388 /nfs/dbraw/zinc/36/33/88/857363388.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 1 352.435 0.449 20 0 FCADMP COCC[N@@H+]1CCOC[C@]2(CCCN(Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363394 /nfs/dbraw/zinc/36/33/94/857363394.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 1 352.435 0.449 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CC(C)(C)N3CCOCC3)C[C@H]1C2 ZINC001236018939 857436011 /nfs/dbraw/zinc/43/60/11/857436011.db2.gz AOLWDUQDINJKOH-OLMMMNRUSA-N 2 1 351.491 0.428 20 0 FCADMP C[N@@H+](C1CCOCC1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239099450 857513882 /nfs/dbraw/zinc/51/38/82/857513882.db2.gz IJTZPYHWWIUIKC-UHFFFAOYSA-N 2 1 359.536 0.891 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047449 857566353 /nfs/dbraw/zinc/56/63/53/857566353.db2.gz DZZRPETUZIWAOC-OKZBNKHCSA-N 3 1 354.445 0.303 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047449 857566360 /nfs/dbraw/zinc/56/63/60/857566360.db2.gz DZZRPETUZIWAOC-OKZBNKHCSA-N 2 1 354.445 0.303 20 0 FCADMP O=C([C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)C[NH2+]1)N1CCSC1 ZINC001246185676 857570322 /nfs/dbraw/zinc/57/03/22/857570322.db2.gz VIUDSJJQHVSRCH-OAGGEKHMSA-N 2 1 368.547 0.388 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC001246301974 857572950 /nfs/dbraw/zinc/57/29/50/857572950.db2.gz ZFNRHZYDTLRUIR-YOEHRIQHSA-N 2 1 353.488 0.318 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CCN(C4CC[NH2+]CC4)C3)C[C@H](C1)N2 ZINC001246369566 857576541 /nfs/dbraw/zinc/57/65/41/857576541.db2.gz GALDSOPEVVRZJZ-LHJGCZIBSA-N 2 1 350.507 0.475 20 0 FCADMP CCOC(=O)CCC(CCC(=O)OCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246620866 857587051 /nfs/dbraw/zinc/58/70/51/857587051.db2.gz BADOXEUGCKQJNL-GOSISDBHSA-N 2 1 355.479 0.679 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCN[C@H](C(F)(F)F)C1)C2 ZINC001246674366 857589554 /nfs/dbraw/zinc/58/95/54/857589554.db2.gz RXNGWBOCGRUEIC-ULSDXFBPSA-N 2 1 361.408 1.000 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700541 857592021 /nfs/dbraw/zinc/59/20/21/857592021.db2.gz GYBYYHGOGWDTHS-BCDMZGRMSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745369 857597057 /nfs/dbraw/zinc/59/70/57/857597057.db2.gz HGTQCYZLJOYIEI-FAJBIJEISA-N 2 1 351.491 0.999 20 0 FCADMP C[C@H]1C[C@@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751427 857598894 /nfs/dbraw/zinc/59/88/94/857598894.db2.gz PIGFBOIPNIBTBK-IRXDYDNUSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)CC[NH2+]1 ZINC001246756096 857599087 /nfs/dbraw/zinc/59/90/87/857599087.db2.gz KRZULONSVQWPBV-IXDOHACOSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC[NH2+]1 ZINC001246772653 857599770 /nfs/dbraw/zinc/59/97/70/857599770.db2.gz FCPUWODDALMWDC-MTNOOBJLSA-N 2 1 351.491 0.857 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC4CC4)CC3)[C@@H]2C1 ZINC001279514841 862929569 /nfs/dbraw/zinc/92/95/69/862929569.db2.gz UGIMZSYMNPXLOT-IAGOWNOFSA-N 2 1 351.491 0.919 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246923666 857605545 /nfs/dbraw/zinc/60/55/45/857605545.db2.gz DZGNPWVTZFWWLV-OAHLLOKOSA-N 3 1 354.445 0.938 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246923666 857605546 /nfs/dbraw/zinc/60/55/46/857605546.db2.gz DZGNPWVTZFWWLV-OAHLLOKOSA-N 3 1 354.445 0.938 20 0 FCADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CSC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246932262 857606468 /nfs/dbraw/zinc/60/64/68/857606468.db2.gz CJQZARNGMMLYDG-KRWDZBQOSA-N 3 1 354.564 0.468 20 0 FCADMP COC(=O)[C@H](N)[C@H]1CCC[N@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926496 857606610 /nfs/dbraw/zinc/60/66/10/857606610.db2.gz TXZJNIJBIVRUQP-JMDIOJQTSA-N 2 1 353.463 0.271 20 0 FCADMP C[NH+](C)CCNC(=S)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001249836287 857652388 /nfs/dbraw/zinc/65/23/88/857652388.db2.gz IYPYBABONXUPRT-UHFFFAOYSA-N 2 1 363.535 0.635 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C[C@H](O)COc2cccc(F)c2)CCC1=O ZINC001250809416 857664229 /nfs/dbraw/zinc/66/42/29/857664229.db2.gz PCHPQWDWXKRKTR-INIZCTEOSA-N 2 1 353.438 0.661 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)COc2cccc(F)c2)CCC1=O ZINC001250809416 857664232 /nfs/dbraw/zinc/66/42/32/857664232.db2.gz PCHPQWDWXKRKTR-INIZCTEOSA-N 2 1 353.438 0.661 20 0 FCADMP CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001251339893 857717876 /nfs/dbraw/zinc/71/78/76/857717876.db2.gz IHPUXAYRAFEITG-SFHVURJKSA-N 2 1 357.495 0.795 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001251779942 857751164 /nfs/dbraw/zinc/75/11/64/857751164.db2.gz WSUGALVENISFNX-HRCADAONSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+](C)CCN1CC[NH+](C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253128857 857861566 /nfs/dbraw/zinc/86/15/66/857861566.db2.gz GNNCKSVMBFMGQX-SFHVURJKSA-N 2 1 351.491 0.140 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253182667 857869353 /nfs/dbraw/zinc/86/93/53/857869353.db2.gz SGXVEVGDRJGILF-OALUTQOASA-N 2 1 357.539 0.750 20 0 FCADMP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]21 ZINC001253389262 857884487 /nfs/dbraw/zinc/88/44/87/857884487.db2.gz XJJSBYIVBZUVKF-XUWVNRHRSA-N 2 1 356.511 0.344 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]2COC[C@H]12 ZINC001255675409 858028659 /nfs/dbraw/zinc/02/86/59/858028659.db2.gz FNEPYGSFKAQLPU-DXMBWKHVSA-N 2 1 351.491 0.806 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]2COC[C@H]12 ZINC001255675409 858028665 /nfs/dbraw/zinc/02/86/65/858028665.db2.gz FNEPYGSFKAQLPU-DXMBWKHVSA-N 2 1 351.491 0.806 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]2COC[C@H]12 ZINC001255675409 858028671 /nfs/dbraw/zinc/02/86/71/858028671.db2.gz FNEPYGSFKAQLPU-DXMBWKHVSA-N 2 1 351.491 0.806 20 0 FCADMP COC1(CC(=O)N2CCO[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]32)CCC1 ZINC001279615472 862980087 /nfs/dbraw/zinc/98/00/87/862980087.db2.gz LELAIOBUQNEHCP-SJORKVTESA-N 2 1 351.491 0.857 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1C(C)=O ZINC001256696547 858096527 /nfs/dbraw/zinc/09/65/27/858096527.db2.gz HOWYYAANVYUMDN-OFLPRAFFSA-N 2 1 353.463 0.336 20 0 FCADMP COC(=O)[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1C(C)=O ZINC001256696547 858096532 /nfs/dbraw/zinc/09/65/32/858096532.db2.gz HOWYYAANVYUMDN-OFLPRAFFSA-N 2 1 353.463 0.336 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001256792905 858099004 /nfs/dbraw/zinc/09/90/04/858099004.db2.gz VMHUYUKUQBAVOH-IAGOWNOFSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+]1CCC([N@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001258777848 858210726 /nfs/dbraw/zinc/21/07/26/858210726.db2.gz KLKREQPXNZNUKF-KRWDZBQOSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(NS(C)(=O)=O)cc1 ZINC001279729155 863030128 /nfs/dbraw/zinc/03/01/28/863030128.db2.gz MEEAONIMJYQYSY-CALCHBBNSA-N 2 1 352.504 0.878 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(NS(C)(=O)=O)cc1 ZINC001279729155 863030138 /nfs/dbraw/zinc/03/01/38/863030138.db2.gz MEEAONIMJYQYSY-CALCHBBNSA-N 2 1 352.504 0.878 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H]1C ZINC001261525295 858579769 /nfs/dbraw/zinc/57/97/69/858579769.db2.gz ZJHYQUMSIYYMRA-FPXQBCRKSA-N 2 1 350.507 0.905 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001263762568 859206354 /nfs/dbraw/zinc/20/63/54/859206354.db2.gz HSZKLUHLURZHHH-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP C[C@H](C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592337 859484899 /nfs/dbraw/zinc/48/48/99/859484899.db2.gz PGSLVTCGPVHWHZ-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592337 859484903 /nfs/dbraw/zinc/48/49/03/859484903.db2.gz PGSLVTCGPVHWHZ-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592337 859484906 /nfs/dbraw/zinc/48/49/06/859484906.db2.gz PGSLVTCGPVHWHZ-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[C@H](C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592337 859484909 /nfs/dbraw/zinc/48/49/09/859484909.db2.gz PGSLVTCGPVHWHZ-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001270333120 859719267 /nfs/dbraw/zinc/71/92/67/859719267.db2.gz QKCJABHCXQKATA-HZPDHXFCSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCS(=O)(=O)C3)CCCC2)CC[N@H+]1C ZINC001270750336 859837018 /nfs/dbraw/zinc/83/70/18/859837018.db2.gz XNSXRMDRMNZXGD-BZUAXINKSA-N 2 1 371.547 0.780 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001271138352 859903828 /nfs/dbraw/zinc/90/38/28/859903828.db2.gz DDNRIKMIDMPPOT-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1C ZINC001272414272 860151272 /nfs/dbraw/zinc/15/12/72/860151272.db2.gz MUHMHYBGEDFGEZ-FRRDWIJNSA-N 2 1 352.483 0.009 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1C ZINC001272414272 860151283 /nfs/dbraw/zinc/15/12/83/860151283.db2.gz MUHMHYBGEDFGEZ-FRRDWIJNSA-N 2 1 352.483 0.009 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@@H]3CCC[N@H+]3C)(C1)C2 ZINC001273312837 860447186 /nfs/dbraw/zinc/44/71/86/860447186.db2.gz HFHKRAYHHQXZIS-MNNVXMFVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1)[NH+]1CCCC1 ZINC001273500603 860509962 /nfs/dbraw/zinc/50/99/62/860509962.db2.gz BVQIOOVWNYVKRO-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001273511920 860514482 /nfs/dbraw/zinc/51/44/82/860514482.db2.gz NIZUYAYLZNKJJY-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001273511920 860514493 /nfs/dbraw/zinc/51/44/93/860514493.db2.gz NIZUYAYLZNKJJY-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001273511920 860514497 /nfs/dbraw/zinc/51/44/97/860514497.db2.gz NIZUYAYLZNKJJY-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666160 860561385 /nfs/dbraw/zinc/56/13/85/860561385.db2.gz ILTCDCYOOYEJQF-JLVBRIDZSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC3CC3)C[C@H]21 ZINC001274923508 860872485 /nfs/dbraw/zinc/87/24/85/860872485.db2.gz DDAWXOFJSPEJNX-KSZLIROESA-N 2 1 350.507 0.334 20 0 FCADMP CCCC[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275104686 860934228 /nfs/dbraw/zinc/93/42/28/860934228.db2.gz YHQWFRFCMWTRAV-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CCCC[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275104686 860934242 /nfs/dbraw/zinc/93/42/42/860934242.db2.gz YHQWFRFCMWTRAV-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CCCC[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275104686 860934256 /nfs/dbraw/zinc/93/42/56/860934256.db2.gz YHQWFRFCMWTRAV-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@@H+](C)CCN3C)(C1)CCC2 ZINC001275176853 860979894 /nfs/dbraw/zinc/97/98/94/860979894.db2.gz MBKHXMQZKMEBRW-YTQUADARSA-N 2 1 351.539 0.345 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275466041 861104148 /nfs/dbraw/zinc/10/41/48/861104148.db2.gz VSDLPQWKXXDHDC-GOSISDBHSA-N 2 1 350.463 0.904 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511614 861116679 /nfs/dbraw/zinc/11/66/79/861116679.db2.gz KYQUHIDASHPQNS-GOSISDBHSA-N 2 1 373.563 0.933 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511614 861116684 /nfs/dbraw/zinc/11/66/84/861116684.db2.gz KYQUHIDASHPQNS-GOSISDBHSA-N 2 1 373.563 0.933 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275557078 861128605 /nfs/dbraw/zinc/12/86/05/861128605.db2.gz UOYXKWNBTKXGFV-HZPDHXFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)OC(=O)CN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557541 861128847 /nfs/dbraw/zinc/12/88/47/861128847.db2.gz ZNEOWYQVIXDKEV-UHFFFAOYSA-N 2 1 353.463 0.193 20 0 FCADMP Cc1noc(CN2C[C@@]3(F)C[N@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)n1 ZINC001275737279 861180044 /nfs/dbraw/zinc/18/00/44/861180044.db2.gz JLDIISOAZGOJDK-JKSUJKDBSA-N 2 1 355.389 0.452 20 0 FCADMP Cc1noc(CN2C[C@@]3(F)C[N@@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)n1 ZINC001275737279 861180060 /nfs/dbraw/zinc/18/00/60/861180060.db2.gz JLDIISOAZGOJDK-JKSUJKDBSA-N 2 1 355.389 0.452 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736501 861180629 /nfs/dbraw/zinc/18/06/29/861180629.db2.gz FEXSHJZHDYGPOO-IBGZPJMESA-N 2 1 350.507 0.827 20 0 FCADMP CCC1(C[N@@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)COC1 ZINC001279905895 863128313 /nfs/dbraw/zinc/12/83/13/863128313.db2.gz VTVZMIMFPNQCEG-LSDHHAIUSA-N 2 1 350.463 0.310 20 0 FCADMP COC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053052 863221154 /nfs/dbraw/zinc/22/11/54/863221154.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 1 350.463 0.715 20 0 FCADMP COC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053052 863221177 /nfs/dbraw/zinc/22/11/77/863221177.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 1 350.463 0.715 20 0 FCADMP COC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053052 863221191 /nfs/dbraw/zinc/22/11/91/863221191.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 2 1 350.463 0.715 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)C1 ZINC001280256198 863362311 /nfs/dbraw/zinc/36/23/11/863362311.db2.gz BOAIVKFMTXKQMN-WBVHZDCISA-N 2 1 351.491 0.429 20 0 FCADMP COCCN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280259741 863366643 /nfs/dbraw/zinc/36/66/43/863366643.db2.gz ZVUGTIDENBMQGU-IAGOWNOFSA-N 2 1 353.507 0.772 20 0 FCADMP COCCN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280259741 863366652 /nfs/dbraw/zinc/36/66/52/863366652.db2.gz ZVUGTIDENBMQGU-IAGOWNOFSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@@H]2C1 ZINC001280279433 863375518 /nfs/dbraw/zinc/37/55/18/863375518.db2.gz XLXBWLBBKROWTJ-HZPDHXFCSA-N 2 1 357.470 0.869 20 0 FCADMP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280301711 863394437 /nfs/dbraw/zinc/39/44/37/863394437.db2.gz CTDZELZZRPYFLH-SFHVURJKSA-N 2 1 353.511 0.082 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281838474 863803698 /nfs/dbraw/zinc/80/36/98/863803698.db2.gz HDVXVGALLMWLIY-FPCVCCKLSA-N 2 1 354.495 0.009 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]21 ZINC001288979940 864835815 /nfs/dbraw/zinc/83/58/15/864835815.db2.gz MCANCFQIDFQKTQ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001288979940 864835832 /nfs/dbraw/zinc/83/58/32/864835832.db2.gz MCANCFQIDFQKTQ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC001288979940 864835845 /nfs/dbraw/zinc/83/58/45/864835845.db2.gz MCANCFQIDFQKTQ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCS(=O)(=O)N(C)C ZINC001292583125 865746676 /nfs/dbraw/zinc/74/66/76/865746676.db2.gz YTCWIQMPVAPZHI-HNNXBMFYSA-N 2 1 362.540 0.142 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn([C@@H]3CCN(CC(F)(F)F)C3=O)nn2)CC1 ZINC001349743946 866428530 /nfs/dbraw/zinc/42/85/30/866428530.db2.gz DZEONHWLWSWHAN-CYBMUJFWSA-N 2 1 360.384 0.579 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001351786638 866967741 /nfs/dbraw/zinc/96/77/41/866967741.db2.gz GNCUKLCBYMIHFI-RYQLBKOJSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001353413262 867418929 /nfs/dbraw/zinc/41/89/29/867418929.db2.gz IGQBDQADEDRUQY-HZPDHXFCSA-N 2 1 354.495 0.413 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001353464263 867429242 /nfs/dbraw/zinc/42/92/42/867429242.db2.gz GWSOATPPPHSKJA-GOSISDBHSA-N 2 1 351.495 0.326 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001316758870 867460160 /nfs/dbraw/zinc/46/01/60/867460160.db2.gz PGMTZGGOLHCCTG-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001316758870 867460164 /nfs/dbraw/zinc/46/01/64/867460164.db2.gz PGMTZGGOLHCCTG-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001316758870 867460169 /nfs/dbraw/zinc/46/01/69/867460169.db2.gz PGMTZGGOLHCCTG-SJORKVTESA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001353633499 867460634 /nfs/dbraw/zinc/46/06/34/867460634.db2.gz LFONKLHCHKAADY-DOTOQJQBSA-N 2 1 350.438 0.788 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001317552170 867540145 /nfs/dbraw/zinc/54/01/45/867540145.db2.gz FAXSASNCIWNSNW-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001317552170 867540151 /nfs/dbraw/zinc/54/01/51/867540151.db2.gz FAXSASNCIWNSNW-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001317552170 867540158 /nfs/dbraw/zinc/54/01/58/867540158.db2.gz FAXSASNCIWNSNW-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NCC ZINC001317539912 867540754 /nfs/dbraw/zinc/54/07/54/867540754.db2.gz AVPAANBGFLMQQR-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NCC ZINC001317539912 867540767 /nfs/dbraw/zinc/54/07/67/867540767.db2.gz AVPAANBGFLMQQR-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC(=O)NCC ZINC001317539912 867540777 /nfs/dbraw/zinc/54/07/77/867540777.db2.gz AVPAANBGFLMQQR-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC(=O)NCC ZINC001317539912 867540794 /nfs/dbraw/zinc/54/07/94/867540794.db2.gz AVPAANBGFLMQQR-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001318718305 867733740 /nfs/dbraw/zinc/73/37/40/867733740.db2.gz OWVMNOSFBSSMTM-HZPDHXFCSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)CSCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC001319234475 867863836 /nfs/dbraw/zinc/86/38/36/867863836.db2.gz LGPXDSIAIIHYHR-HZPDHXFCSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCC[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001358668819 868243960 /nfs/dbraw/zinc/24/39/60/868243960.db2.gz BEQBYBMASHLDJM-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001358666588 868244617 /nfs/dbraw/zinc/24/46/17/868244617.db2.gz YVWDVKGPWBUZGK-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001358666588 868244634 /nfs/dbraw/zinc/24/46/34/868244634.db2.gz YVWDVKGPWBUZGK-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001358666588 868244651 /nfs/dbraw/zinc/24/46/51/868244651.db2.gz YVWDVKGPWBUZGK-BZUAXINKSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1nn(CCO)c(C)c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001325023357 869752328 /nfs/dbraw/zinc/75/23/28/869752328.db2.gz OXNJJGLMMZCTHW-UHFFFAOYSA-N 2 1 351.495 0.574 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)CC1 ZINC001326756080 870484618 /nfs/dbraw/zinc/48/46/18/870484618.db2.gz IXYRLYAOAPRPBW-OAHLLOKOSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327522053 870923325 /nfs/dbraw/zinc/92/33/25/870923325.db2.gz YYIYWGGNQJHPED-MRXNPFEDSA-N 2 1 350.507 0.827 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001346169367 871682422 /nfs/dbraw/zinc/68/24/22/871682422.db2.gz IPBPYPIDQCBAAP-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001346169367 871682424 /nfs/dbraw/zinc/68/24/24/871682424.db2.gz IPBPYPIDQCBAAP-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425404 871833719 /nfs/dbraw/zinc/83/37/19/871833719.db2.gz GCVRIVRYYIJARB-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001329520471 872087966 /nfs/dbraw/zinc/08/79/66/872087966.db2.gz IKSIZFUBJJAAAN-LSDHHAIUSA-N 2 1 354.495 0.047 20 0 FCADMP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001347187299 872208847 /nfs/dbraw/zinc/20/88/47/872208847.db2.gz QESATBOAJOUEEY-NVXWUHKLSA-N 2 1 353.511 0.127 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC(C)C)C[C@@H]1C ZINC001347438701 872334463 /nfs/dbraw/zinc/33/44/63/872334463.db2.gz PANDKHBAMOUWNE-UONOGXRCSA-N 2 1 350.467 0.950 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963636 873316406 /nfs/dbraw/zinc/31/64/06/873316406.db2.gz IFULMJRULWBULB-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963636 873316420 /nfs/dbraw/zinc/31/64/20/873316420.db2.gz IFULMJRULWBULB-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360645 948123760 /nfs/dbraw/zinc/12/37/60/948123760.db2.gz SGTLLLRPMQRKBC-GJZGRUSLSA-N 2 1 350.430 0.918 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926123 948986552 /nfs/dbraw/zinc/98/65/52/948986552.db2.gz IWXTVXFXFWGRGU-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263593 949403168 /nfs/dbraw/zinc/40/31/68/949403168.db2.gz IHWYWICMFHODOI-CXAGYDPISA-N 2 1 369.473 0.897 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264208 949418913 /nfs/dbraw/zinc/41/89/13/949418913.db2.gz MWRGDUYSARDFMJ-XJKSGUPXSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574731367 950049054 /nfs/dbraw/zinc/04/90/54/950049054.db2.gz CUYDMKSZJDFYAK-YNEHKIRRSA-N 2 1 358.450 0.283 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574740265 950226870 /nfs/dbraw/zinc/22/68/70/950226870.db2.gz DBASHEBUUMPXNL-RDBSUJKOSA-N 2 1 372.477 0.673 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974289 950405238 /nfs/dbraw/zinc/40/52/38/950405238.db2.gz LXCCPSQBBWIVRQ-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974289 950405252 /nfs/dbraw/zinc/40/52/52/950405252.db2.gz LXCCPSQBBWIVRQ-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974289 950405270 /nfs/dbraw/zinc/40/52/70/950405270.db2.gz LXCCPSQBBWIVRQ-HZPDHXFCSA-N 2 1 355.446 0.509 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204981 950488597 /nfs/dbraw/zinc/48/85/97/950488597.db2.gz FCKJVCWMTCPNBB-NEPJUHHUSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576205478 950517828 /nfs/dbraw/zinc/51/78/28/950517828.db2.gz YZZFCAGBNOAOSZ-QWHCGFSZSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208672 950615089 /nfs/dbraw/zinc/61/50/89/950615089.db2.gz RZBMWIZJKIRRSS-NEPJUHHUSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576208948 950621073 /nfs/dbraw/zinc/62/10/73/950621073.db2.gz VNYCADYESDNMEL-STQMWFEESA-N 2 1 358.450 0.332 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001570996176 951011850 /nfs/dbraw/zinc/01/18/50/951011850.db2.gz OONLDAXGMHUFMF-QGZVFWFLSA-N 2 1 359.478 0.469 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575093014 951796438 /nfs/dbraw/zinc/79/64/38/951796438.db2.gz GURZKTMQIZMBTR-CJNGLKHVSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571052755 951827664 /nfs/dbraw/zinc/82/76/64/951827664.db2.gz ZBQMPVGRWQAFNP-OCCSQVGLSA-N 2 1 368.445 0.441 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099021 951828495 /nfs/dbraw/zinc/82/84/95/951828495.db2.gz HEDLJSUBOADZRL-NEPJUHHUSA-N 2 1 363.491 0.722 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106839 951906529 /nfs/dbraw/zinc/90/65/29/951906529.db2.gz VJAVIAIEMTXCNI-CJNGLKHVSA-N 2 1 357.462 0.660 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575109560 951932052 /nfs/dbraw/zinc/93/20/52/951932052.db2.gz SMSKOZRZGKHHIU-CJNGLKHVSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113890 951949658 /nfs/dbraw/zinc/94/96/58/951949658.db2.gz HRVRBMVUKDFHKD-CJNGLKHVSA-N 2 1 357.462 0.803 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064639 951976541 /nfs/dbraw/zinc/97/65/41/951976541.db2.gz WASJUTQFTNXTPT-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064639 951976549 /nfs/dbraw/zinc/97/65/49/951976549.db2.gz WASJUTQFTNXTPT-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571064639 951976558 /nfs/dbraw/zinc/97/65/58/951976558.db2.gz WASJUTQFTNXTPT-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078427 952129951 /nfs/dbraw/zinc/12/99/51/952129951.db2.gz QCSFAWPDZVQBHC-UKRRQHHQSA-N 2 1 370.461 0.607 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1cc(C[N@H+](CCO)C[C@@H](C)O)ccc1F ZINC000295256981 214287940 /nfs/dbraw/zinc/28/79/40/214287940.db2.gz XOPYMAONCGVCIQ-HUUCEWRRSA-N 2 1 358.454 0.176 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1ccc(F)c(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000295256981 214287942 /nfs/dbraw/zinc/28/79/42/214287942.db2.gz XOPYMAONCGVCIQ-HUUCEWRRSA-N 2 1 358.454 0.176 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1ccc(F)c(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000295256981 214287945 /nfs/dbraw/zinc/28/79/45/214287945.db2.gz XOPYMAONCGVCIQ-HUUCEWRRSA-N 2 1 358.454 0.176 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000410779296 529798459 /nfs/dbraw/zinc/79/84/59/529798459.db2.gz IQKHBVASEDLQJO-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000410983664 529796641 /nfs/dbraw/zinc/79/66/41/529796641.db2.gz QBTXLZLHKQSMQG-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410841130 529861290 /nfs/dbraw/zinc/86/12/90/529861290.db2.gz GSAAZPDQAQTQHN-PXNSSMCTSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410841130 529861291 /nfs/dbraw/zinc/86/12/91/529861291.db2.gz GSAAZPDQAQTQHN-PXNSSMCTSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410841130 529861292 /nfs/dbraw/zinc/86/12/92/529861292.db2.gz GSAAZPDQAQTQHN-PXNSSMCTSA-N 2 1 362.518 0.731 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000410752683 529929442 /nfs/dbraw/zinc/92/94/42/529929442.db2.gz IFBYIGAKTFFCCW-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410752683 529929443 /nfs/dbraw/zinc/92/94/43/529929443.db2.gz IFBYIGAKTFFCCW-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410752683 529929444 /nfs/dbraw/zinc/92/94/44/529929444.db2.gz IFBYIGAKTFFCCW-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410969936 529931357 /nfs/dbraw/zinc/93/13/57/529931357.db2.gz FXMYWOUPOCFVLA-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410969936 529931358 /nfs/dbraw/zinc/93/13/58/529931358.db2.gz FXMYWOUPOCFVLA-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410969936 529931359 /nfs/dbraw/zinc/93/13/59/529931359.db2.gz FXMYWOUPOCFVLA-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC[C@H]21 ZINC000410951730 530064974 /nfs/dbraw/zinc/06/49/74/530064974.db2.gz GDHJMVCSPXIKRI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951730 530064975 /nfs/dbraw/zinc/06/49/75/530064975.db2.gz GDHJMVCSPXIKRI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951730 530064976 /nfs/dbraw/zinc/06/49/76/530064976.db2.gz GDHJMVCSPXIKRI-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719228 530059311 /nfs/dbraw/zinc/05/93/11/530059311.db2.gz NPMHWBUTSIHGQI-FXAWDEMLSA-N 2 1 362.518 0.875 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000331486044 215003250 /nfs/dbraw/zinc/00/32/50/215003250.db2.gz QVDYEAIKIWYWBC-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000331486044 215003253 /nfs/dbraw/zinc/00/32/53/215003253.db2.gz QVDYEAIKIWYWBC-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000331486044 215003257 /nfs/dbraw/zinc/00/32/57/215003257.db2.gz QVDYEAIKIWYWBC-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCSC1 ZINC000331540165 215011941 /nfs/dbraw/zinc/01/19/41/215011941.db2.gz PKIXURVDXPGELU-CKEIUWERSA-N 2 1 354.520 0.093 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000331547585 215013149 /nfs/dbraw/zinc/01/31/49/215013149.db2.gz BEQFBDMRXUVYQV-GBJTYRQASA-N 2 1 352.479 0.301 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000331547595 215013319 /nfs/dbraw/zinc/01/33/19/215013319.db2.gz BEQFBDMRXUVYQV-YJNKXOJESA-N 2 1 352.479 0.301 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000331602617 215021317 /nfs/dbraw/zinc/02/13/17/215021317.db2.gz ZRZGRAOLSNWCAG-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000331669842 215031356 /nfs/dbraw/zinc/03/13/56/215031356.db2.gz ZOORYXATQYXBSL-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000331669842 215031360 /nfs/dbraw/zinc/03/13/60/215031360.db2.gz ZOORYXATQYXBSL-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000331669842 215031363 /nfs/dbraw/zinc/03/13/63/215031363.db2.gz ZOORYXATQYXBSL-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000331669842 215031365 /nfs/dbraw/zinc/03/13/65/215031365.db2.gz ZOORYXATQYXBSL-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000331727517 215039940 /nfs/dbraw/zinc/03/99/40/215039940.db2.gz YMMDXBGQXBPMJH-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000331727517 215039944 /nfs/dbraw/zinc/03/99/44/215039944.db2.gz YMMDXBGQXBPMJH-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000331727517 215039946 /nfs/dbraw/zinc/03/99/46/215039946.db2.gz YMMDXBGQXBPMJH-NCOADZHNSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000331797949 215048503 /nfs/dbraw/zinc/04/85/03/215048503.db2.gz LSFIGPBULVUKFZ-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331847643 215055300 /nfs/dbraw/zinc/05/53/00/215055300.db2.gz GNMHKHXQROGDAR-QGZVFWFLSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331847643 215055302 /nfs/dbraw/zinc/05/53/02/215055302.db2.gz GNMHKHXQROGDAR-QGZVFWFLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000332006035 215079340 /nfs/dbraw/zinc/07/93/40/215079340.db2.gz CMYNJFSJHBBHKH-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000332006035 215079344 /nfs/dbraw/zinc/07/93/44/215079344.db2.gz CMYNJFSJHBBHKH-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332006035 215079347 /nfs/dbraw/zinc/07/93/47/215079347.db2.gz CMYNJFSJHBBHKH-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332006035 215079350 /nfs/dbraw/zinc/07/93/50/215079350.db2.gz CMYNJFSJHBBHKH-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000332128374 215098297 /nfs/dbraw/zinc/09/82/97/215098297.db2.gz HNFHLJHXWPEKOF-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000332128374 215098300 /nfs/dbraw/zinc/09/83/00/215098300.db2.gz HNFHLJHXWPEKOF-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000332128374 215098302 /nfs/dbraw/zinc/09/83/02/215098302.db2.gz HNFHLJHXWPEKOF-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)[N@H+](C)C1 ZINC000332305349 215127363 /nfs/dbraw/zinc/12/73/63/215127363.db2.gz RFLOTQZXCGFHLQ-HCXYKTFWSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)[N@@H+](C)C1 ZINC000332305349 215127365 /nfs/dbraw/zinc/12/73/65/215127365.db2.gz RFLOTQZXCGFHLQ-HCXYKTFWSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[NH+](C)C1 ZINC000332305349 215127368 /nfs/dbraw/zinc/12/73/68/215127368.db2.gz RFLOTQZXCGFHLQ-HCXYKTFWSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[NH+](C)C1 ZINC000332305349 215127370 /nfs/dbraw/zinc/12/73/70/215127370.db2.gz RFLOTQZXCGFHLQ-HCXYKTFWSA-N 2 1 361.486 0.705 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000332408830 215146744 /nfs/dbraw/zinc/14/67/44/215146744.db2.gz QEXOBDJHBJRWDH-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000332480579 215159492 /nfs/dbraw/zinc/15/94/92/215159492.db2.gz MLDHBRPGWLGXNO-RHSMWYFYSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000332480579 215159494 /nfs/dbraw/zinc/15/94/94/215159494.db2.gz MLDHBRPGWLGXNO-RHSMWYFYSA-N 2 1 359.474 0.635 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)CC2)c1 ZINC000332540286 215173764 /nfs/dbraw/zinc/17/37/64/215173764.db2.gz KOGUFNYZTOYDMQ-HNNXBMFYSA-N 2 1 359.474 0.624 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000332537929 215174489 /nfs/dbraw/zinc/17/44/89/215174489.db2.gz VIHSHPWRWZCPKJ-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332624574 215192023 /nfs/dbraw/zinc/19/20/23/215192023.db2.gz RUYSBHZREWRLFJ-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000332620229 215192661 /nfs/dbraw/zinc/19/26/61/215192661.db2.gz DUJMJFKYVZWFIF-UWWPHRKUSA-N 2 1 362.449 0.630 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000332620229 215192664 /nfs/dbraw/zinc/19/26/64/215192664.db2.gz DUJMJFKYVZWFIF-UWWPHRKUSA-N 2 1 362.449 0.630 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332646856 215197364 /nfs/dbraw/zinc/19/73/64/215197364.db2.gz XGDOTRBQVDAJMV-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333131909 215240180 /nfs/dbraw/zinc/24/01/80/215240180.db2.gz BUXIJEUSLUYUKV-OWSLCNJRSA-N 2 1 372.517 0.971 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cn1C ZINC000333158712 215243875 /nfs/dbraw/zinc/24/38/75/215243875.db2.gz NMHQMIKEODCDPD-DZGCQCFKSA-N 2 1 355.508 0.423 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333356017 215268459 /nfs/dbraw/zinc/26/84/59/215268459.db2.gz KIACALGCPROAHE-ARFHVFGLSA-N 2 1 351.495 0.465 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000333359544 215269838 /nfs/dbraw/zinc/26/98/38/215269838.db2.gz CQLGCUVGTBMPKF-CABCVRRESA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000333359544 215269839 /nfs/dbraw/zinc/26/98/39/215269839.db2.gz CQLGCUVGTBMPKF-CABCVRRESA-N 2 1 357.520 0.486 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000333401806 215275778 /nfs/dbraw/zinc/27/57/78/215275778.db2.gz QBSRVYSVNJINCX-IAGOWNOFSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401806 215275783 /nfs/dbraw/zinc/27/57/83/215275783.db2.gz QBSRVYSVNJINCX-IAGOWNOFSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401806 215275785 /nfs/dbraw/zinc/27/57/85/215275785.db2.gz QBSRVYSVNJINCX-IAGOWNOFSA-N 2 1 365.522 0.570 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000333492693 215287900 /nfs/dbraw/zinc/28/79/00/215287900.db2.gz VCYJGKJPDWIDRK-JKSUJKDBSA-N 2 1 374.489 0.709 20 0 FCADMP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000333545187 215294216 /nfs/dbraw/zinc/29/42/16/215294216.db2.gz JROQQZLCCPRNJI-HZPDHXFCSA-N 2 1 354.495 0.637 20 0 FCADMP C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000333545188 215294481 /nfs/dbraw/zinc/29/44/81/215294481.db2.gz JROQQZLCCPRNJI-JKSUJKDBSA-N 2 1 354.495 0.637 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000333659231 215306873 /nfs/dbraw/zinc/30/68/73/215306873.db2.gz LHUZSLPCQZHNGR-RCCFBDPRSA-N 2 1 367.538 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000333733811 215314051 /nfs/dbraw/zinc/31/40/51/215314051.db2.gz WOTWDDCFNPRIFX-FRRDWIJNSA-N 2 1 351.417 0.557 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000333815083 215321410 /nfs/dbraw/zinc/32/14/10/215321410.db2.gz JXWWVZZFZVEYBP-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000333815083 215321411 /nfs/dbraw/zinc/32/14/11/215321411.db2.gz JXWWVZZFZVEYBP-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000333807381 215322036 /nfs/dbraw/zinc/32/20/36/215322036.db2.gz IRPPIWNEHDEURF-WCXIOVBPSA-N 2 1 354.495 0.648 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000333885992 215328592 /nfs/dbraw/zinc/32/85/92/215328592.db2.gz VWYPWVYNWNWCBS-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)[C@H]2C1 ZINC000333908301 215329911 /nfs/dbraw/zinc/32/99/11/215329911.db2.gz WACBKMQLBCOJSY-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@H]2C1 ZINC000333908301 215329914 /nfs/dbraw/zinc/32/99/14/215329914.db2.gz WACBKMQLBCOJSY-IRXDYDNUSA-N 2 1 366.506 0.603 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000333929088 215332231 /nfs/dbraw/zinc/33/22/31/215332231.db2.gz XZRNSVWLGFPZRA-INIZCTEOSA-N 2 1 354.495 0.781 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285723721 213383810 /nfs/dbraw/zinc/38/38/10/213383810.db2.gz YWPAZVCFXUPKDF-UHFFFAOYSA-N 2 1 356.430 0.402 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285723721 213383814 /nfs/dbraw/zinc/38/38/14/213383814.db2.gz YWPAZVCFXUPKDF-UHFFFAOYSA-N 2 1 356.430 0.402 20 0 FCADMP C[N@@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972398 215378060 /nfs/dbraw/zinc/37/80/60/215378060.db2.gz LWBCEXQKLDIDNF-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972398 215378063 /nfs/dbraw/zinc/37/80/63/215378063.db2.gz LWBCEXQKLDIDNF-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+](CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972398 215378065 /nfs/dbraw/zinc/37/80/65/215378065.db2.gz LWBCEXQKLDIDNF-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000285188592 213299548 /nfs/dbraw/zinc/29/95/48/213299548.db2.gz VWAFJOBOEJZEQH-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000285185507 213299686 /nfs/dbraw/zinc/29/96/86/213299686.db2.gz ILDVJYRCWPMAAE-UHFFFAOYSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2ccccc2C1 ZINC000285188592 213299540 /nfs/dbraw/zinc/29/95/40/213299540.db2.gz VWAFJOBOEJZEQH-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2ccccc2C1 ZINC000285188592 213299543 /nfs/dbraw/zinc/29/95/43/213299543.db2.gz VWAFJOBOEJZEQH-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000285188592 213299546 /nfs/dbraw/zinc/29/95/46/213299546.db2.gz VWAFJOBOEJZEQH-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000284773405 213216050 /nfs/dbraw/zinc/21/60/50/213216050.db2.gz JISAFMQJSSFYLY-UHFFFAOYSA-N 2 1 360.458 0.970 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000284711756 213203821 /nfs/dbraw/zinc/20/38/21/213203821.db2.gz XOVJBWSEPOFBHI-UHFFFAOYSA-N 2 1 358.486 0.715 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000284711756 213203826 /nfs/dbraw/zinc/20/38/26/213203826.db2.gz XOVJBWSEPOFBHI-UHFFFAOYSA-N 2 1 358.486 0.715 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000284711756 213203830 /nfs/dbraw/zinc/20/38/30/213203830.db2.gz XOVJBWSEPOFBHI-UHFFFAOYSA-N 2 1 358.486 0.715 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000284711756 213203833 /nfs/dbraw/zinc/20/38/33/213203833.db2.gz XOVJBWSEPOFBHI-UHFFFAOYSA-N 2 1 358.486 0.715 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000284615090 213181605 /nfs/dbraw/zinc/18/16/05/213181605.db2.gz ZHQNKKAFXUDHMH-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000284615090 213181607 /nfs/dbraw/zinc/18/16/07/213181607.db2.gz ZHQNKKAFXUDHMH-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000284615090 213181609 /nfs/dbraw/zinc/18/16/09/213181609.db2.gz ZHQNKKAFXUDHMH-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccco1 ZINC000284529878 213161372 /nfs/dbraw/zinc/16/13/72/213161372.db2.gz UGVKQMSEPXSSFF-HNNXBMFYSA-N 2 1 350.463 0.991 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000284455755 213143342 /nfs/dbraw/zinc/14/33/42/213143342.db2.gz MXSKPBPXYLSRLA-UHFFFAOYSA-N 2 1 373.501 0.716 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284328427 213112677 /nfs/dbraw/zinc/11/26/77/213112677.db2.gz JRYWNDJCRYBPES-CABCVRRESA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284322102 213110364 /nfs/dbraw/zinc/11/03/64/213110364.db2.gz JKSSHUXLCFQXAI-QLFBSQMISA-N 2 1 350.463 0.797 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284322102 213110366 /nfs/dbraw/zinc/11/03/66/213110366.db2.gz JKSSHUXLCFQXAI-QLFBSQMISA-N 2 1 350.463 0.797 20 0 FCADMP C[C@H](Cn1ccnc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988955 213049848 /nfs/dbraw/zinc/04/98/48/213049848.db2.gz PQHVVJMFKHYUFC-NVXWUHKLSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@H](Cn1ccnc1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283988955 213049850 /nfs/dbraw/zinc/04/98/50/213049850.db2.gz PQHVVJMFKHYUFC-NVXWUHKLSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893155 213029603 /nfs/dbraw/zinc/02/96/03/213029603.db2.gz CUSOLYGSDPDXEI-APWZRJJASA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893155 213029605 /nfs/dbraw/zinc/02/96/05/213029605.db2.gz CUSOLYGSDPDXEI-APWZRJJASA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283893155 213029606 /nfs/dbraw/zinc/02/96/06/213029606.db2.gz CUSOLYGSDPDXEI-APWZRJJASA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283893155 213029608 /nfs/dbraw/zinc/02/96/08/213029608.db2.gz CUSOLYGSDPDXEI-APWZRJJASA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000366776549 216030184 /nfs/dbraw/zinc/03/01/84/216030184.db2.gz MUTJGBFRJILIQK-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000413446122 237337539 /nfs/dbraw/zinc/33/75/39/237337539.db2.gz PCWVWURVGBTROG-OAHLLOKOSA-N 2 1 354.495 0.625 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000413446122 237337546 /nfs/dbraw/zinc/33/75/46/237337546.db2.gz PCWVWURVGBTROG-OAHLLOKOSA-N 2 1 354.495 0.625 20 0 FCADMP C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030317 216066148 /nfs/dbraw/zinc/06/61/48/216066148.db2.gz PYLPXXVQDJZHCM-HOTGVXAUSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@@H](C)C1 ZINC000367591515 216140740 /nfs/dbraw/zinc/14/07/40/216140740.db2.gz ZWGSFUMLKONGGB-FJIDUMEYSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@@H](C)C1 ZINC000367591515 216140743 /nfs/dbraw/zinc/14/07/43/216140743.db2.gz ZWGSFUMLKONGGB-FJIDUMEYSA-N 2 1 368.522 0.726 20 0 FCADMP CCC(CC)[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000367691579 216150747 /nfs/dbraw/zinc/15/07/47/216150747.db2.gz VJXCAARHOAXBDJ-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000367982788 216188029 /nfs/dbraw/zinc/18/80/29/216188029.db2.gz KUDCWIPOPPQDOV-QGZVFWFLSA-N 2 1 358.486 0.837 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000367982788 216188032 /nfs/dbraw/zinc/18/80/32/216188032.db2.gz KUDCWIPOPPQDOV-QGZVFWFLSA-N 2 1 358.486 0.837 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1=O ZINC000246529948 209390344 /nfs/dbraw/zinc/39/03/44/209390344.db2.gz WNABXEBMODNAIL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1=O ZINC000246529948 209390347 /nfs/dbraw/zinc/39/03/47/209390347.db2.gz WNABXEBMODNAIL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1=O ZINC000246529948 209390351 /nfs/dbraw/zinc/39/03/51/209390351.db2.gz WNABXEBMODNAIL-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000246509004 209389607 /nfs/dbraw/zinc/38/96/07/209389607.db2.gz UNPVSUHUVNOWEP-IXDOHACOSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246509004 209389611 /nfs/dbraw/zinc/38/96/11/209389611.db2.gz UNPVSUHUVNOWEP-IXDOHACOSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246509004 209389616 /nfs/dbraw/zinc/38/96/16/209389616.db2.gz UNPVSUHUVNOWEP-IXDOHACOSA-N 2 1 356.511 0.848 20 0 FCADMP COCC[NH+](C)CCNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246509004 209389621 /nfs/dbraw/zinc/38/96/21/209389621.db2.gz UNPVSUHUVNOWEP-IXDOHACOSA-N 2 1 356.511 0.848 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410968 209386480 /nfs/dbraw/zinc/38/64/80/209386480.db2.gz BMQMQCGGNYEUEH-DZKIICNBSA-N 2 1 352.479 0.796 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000237952559 209361819 /nfs/dbraw/zinc/36/18/19/209361819.db2.gz MYPHIENRBCIMHI-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(C[NH2+]C[C@H]1CCCO1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000237927331 209361067 /nfs/dbraw/zinc/36/10/67/209361067.db2.gz WOWAHTCWXUICCB-GOSISDBHSA-N 2 1 374.485 0.216 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000237950351 209360705 /nfs/dbraw/zinc/36/07/05/209360705.db2.gz MYPHIENRBCIMHI-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000237800156 209358576 /nfs/dbraw/zinc/35/85/76/209358576.db2.gz FTOIPFDKKUAKPW-SFHVURJKSA-N 2 1 358.486 0.886 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)NCCN3CC[NH2+]CC3)CC2)cs1 ZINC000237718821 209356509 /nfs/dbraw/zinc/35/65/09/209356509.db2.gz RYLFEPNYITZVAA-UHFFFAOYSA-N 2 1 351.520 0.685 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237611538 209355684 /nfs/dbraw/zinc/35/56/84/209355684.db2.gz HUWILIWTDXYFIT-OKILXGFUSA-N 2 1 350.467 0.432 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000237131794 209347052 /nfs/dbraw/zinc/34/70/52/209347052.db2.gz TYDNKFINAMJSJP-UHFFFAOYSA-N 2 1 358.486 0.634 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192153420 209297328 /nfs/dbraw/zinc/29/73/28/209297328.db2.gz DJFUGFYFGJMHLK-UHFFFAOYSA-N 2 1 369.554 0.624 20 0 FCADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000368769259 216292749 /nfs/dbraw/zinc/29/27/49/216292749.db2.gz FYNBDYHGMMINLJ-KRWDZBQOSA-N 2 1 352.523 0.808 20 0 FCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1C/C=C/C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368976319 216326037 /nfs/dbraw/zinc/32/60/37/216326037.db2.gz VLPWRAUKYJJIRT-OEADIOIJSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C/C[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368976319 216326043 /nfs/dbraw/zinc/32/60/43/216326043.db2.gz VLPWRAUKYJJIRT-OEADIOIJSA-N 2 1 360.502 0.714 20 0 FCADMP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C/C=C/C[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368976319 216326048 /nfs/dbraw/zinc/32/60/48/216326048.db2.gz VLPWRAUKYJJIRT-OEADIOIJSA-N 2 1 360.502 0.714 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369027360 216334911 /nfs/dbraw/zinc/33/49/11/216334911.db2.gz LQLAJICQPSUTOJ-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369027360 216334915 /nfs/dbraw/zinc/33/49/15/216334915.db2.gz LQLAJICQPSUTOJ-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369027360 216334917 /nfs/dbraw/zinc/33/49/17/216334917.db2.gz LQLAJICQPSUTOJ-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)CC1 ZINC000369407902 216398183 /nfs/dbraw/zinc/39/81/83/216398183.db2.gz NSXZGZYNLFDCOI-ZBFHGGJFSA-N 2 1 351.495 0.463 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000369389146 216394618 /nfs/dbraw/zinc/39/46/18/216394618.db2.gz LVQKOALEOXLXMB-KURKYZTESA-N 2 1 352.523 0.723 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000369389146 216394621 /nfs/dbraw/zinc/39/46/21/216394621.db2.gz LVQKOALEOXLXMB-KURKYZTESA-N 2 1 352.523 0.723 20 0 FCADMP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369395121 216394968 /nfs/dbraw/zinc/39/49/68/216394968.db2.gz KUPGTBRZVUTSKZ-SFHVURJKSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000369401138 216396521 /nfs/dbraw/zinc/39/65/21/216396521.db2.gz KQDKZSLROAWSLZ-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(c4cccnn4)CC3)cn2)CC1 ZINC000277692968 212389535 /nfs/dbraw/zinc/38/95/35/212389535.db2.gz QRPJJCYLINUXMH-UHFFFAOYSA-N 2 1 368.489 0.777 20 0 FCADMP C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000188660681 209233081 /nfs/dbraw/zinc/23/30/81/209233081.db2.gz YESWBIWZRWBCGB-HNNXBMFYSA-N 2 1 364.490 0.939 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CCOCC2(C)C)CCN1CC(C)(C)O ZINC000188503280 209232486 /nfs/dbraw/zinc/23/24/86/209232486.db2.gz AHARIPWMNAGHRQ-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP CN(CC(=O)NC1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188303043 209228343 /nfs/dbraw/zinc/22/83/43/209228343.db2.gz LWLVAICGGYQHTM-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000188159620 209224466 /nfs/dbraw/zinc/22/44/66/209224466.db2.gz LEQQCARFWIXGKN-NQIIRXRSSA-N 2 1 374.529 0.718 20 0 FCADMP C[C@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000188159620 209224467 /nfs/dbraw/zinc/22/44/67/209224467.db2.gz LEQQCARFWIXGKN-NQIIRXRSSA-N 2 1 374.529 0.718 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000186623890 209193635 /nfs/dbraw/zinc/19/36/35/209193635.db2.gz BZPXZVBMKVPFPL-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[NH+]1CC[C@@H]2C[NH+](CCOCC[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000931440269 674115036 /nfs/dbraw/zinc/11/50/36/674115036.db2.gz SYNOXTXEDUKCGN-JVSBHGNQSA-N 4 1 350.551 0.770 20 0 FCADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC[NH+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H]2C1 ZINC000931440269 674115037 /nfs/dbraw/zinc/11/50/37/674115037.db2.gz SYNOXTXEDUKCGN-JVSBHGNQSA-N 4 1 350.551 0.770 20 0 FCADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC[NH+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H]2C1 ZINC000931440269 674115040 /nfs/dbraw/zinc/11/50/40/674115040.db2.gz SYNOXTXEDUKCGN-JVSBHGNQSA-N 4 1 350.551 0.770 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000373287304 217003741 /nfs/dbraw/zinc/00/37/41/217003741.db2.gz VAKLTAXHHCQRHB-MRXNPFEDSA-N 2 1 368.522 0.992 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000414851494 245327065 /nfs/dbraw/zinc/32/70/65/245327065.db2.gz ULVISTRYURXKEG-UHFFFAOYSA-N 2 1 350.488 0.900 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000415075179 245344009 /nfs/dbraw/zinc/34/40/09/245344009.db2.gz BBECVKCXPWAMAX-ZIAGYGMSSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000415075179 245344017 /nfs/dbraw/zinc/34/40/17/245344017.db2.gz BBECVKCXPWAMAX-ZIAGYGMSSA-N 2 1 362.474 0.948 20 0 FCADMP C[NH2+]CCCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000415071607 245345155 /nfs/dbraw/zinc/34/51/55/245345155.db2.gz WRVOVCBZNKQXQH-UHFFFAOYSA-N 2 1 363.462 0.814 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@H+]1C1CC1 ZINC000414946379 245336012 /nfs/dbraw/zinc/33/60/12/245336012.db2.gz TXEYGIQUYKHGDN-IUODEOHRSA-N 2 1 358.442 0.849 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000415258470 245371169 /nfs/dbraw/zinc/37/11/69/245371169.db2.gz SCGZDPASEVQBAL-KRWDZBQOSA-N 2 1 362.474 0.698 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000184742801 209166863 /nfs/dbraw/zinc/16/68/63/209166863.db2.gz PPJOKWHZWHCOAX-HOTGVXAUSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000374907648 217188735 /nfs/dbraw/zinc/18/87/35/217188735.db2.gz DUWDUCGHZLPWNB-UHFFFAOYSA-N 3 1 365.566 0.641 20 0 FCADMP Cc1nccc(N2CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC2)n1 ZINC000183779408 209152593 /nfs/dbraw/zinc/15/25/93/209152593.db2.gz VJUOOVMJJYIBST-UHFFFAOYSA-N 2 1 374.367 0.685 20 0 FCADMP C[NH+]1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000183753264 209151413 /nfs/dbraw/zinc/15/14/13/209151413.db2.gz UMFDSPJTRNRHMW-MRXNPFEDSA-N 2 1 372.535 0.087 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183375761 209143635 /nfs/dbraw/zinc/14/36/35/209143635.db2.gz DTOKTRNNFLXFLE-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000375475591 217269896 /nfs/dbraw/zinc/26/98/96/217269896.db2.gz XBMPUEIGKNEYQF-BZSNNMDCSA-N 2 1 352.523 0.772 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000375741747 217306610 /nfs/dbraw/zinc/30/66/10/217306610.db2.gz GTCIACTYYAQVIR-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000375741747 217306614 /nfs/dbraw/zinc/30/66/14/217306614.db2.gz GTCIACTYYAQVIR-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375741747 217306617 /nfs/dbraw/zinc/30/66/17/217306617.db2.gz GTCIACTYYAQVIR-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000375741747 217306619 /nfs/dbraw/zinc/30/66/19/217306619.db2.gz GTCIACTYYAQVIR-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C3)c2)C1 ZINC000417550104 245706573 /nfs/dbraw/zinc/70/65/73/245706573.db2.gz UMBJUYFTRJICJT-IAGOWNOFSA-N 2 1 359.474 0.545 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419128589 246003134 /nfs/dbraw/zinc/00/31/34/246003134.db2.gz BGIRAVYJTPUMPW-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419128588 246003331 /nfs/dbraw/zinc/00/33/31/246003331.db2.gz BGIRAVYJTPUMPW-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000419130127 246004254 /nfs/dbraw/zinc/00/42/54/246004254.db2.gz AQMCLELXEUIHSR-APWZRJJASA-N 2 1 350.507 0.683 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000419128816 246005088 /nfs/dbraw/zinc/00/50/88/246005088.db2.gz XEGRWUVINYEYJJ-IRXDYDNUSA-N 2 1 367.538 0.008 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419156528 246022564 /nfs/dbraw/zinc/02/25/64/246022564.db2.gz VJTUCVXGZOLYEP-XJKSGUPXSA-N 2 1 364.515 0.930 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131311 246006407 /nfs/dbraw/zinc/00/64/07/246006407.db2.gz CKGGTTGAAGCUIN-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132496 246007875 /nfs/dbraw/zinc/00/78/75/246007875.db2.gz BOGXWHZZSLRYMF-DOTOQJQBSA-N 2 1 362.474 0.247 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)[nH+]1 ZINC000419135886 246008992 /nfs/dbraw/zinc/00/89/92/246008992.db2.gz OBTAEIYWMFPUIC-GJZGRUSLSA-N 2 1 359.474 0.684 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000419137575 246011727 /nfs/dbraw/zinc/01/17/27/246011727.db2.gz QYRZKGFFYWORQR-HOCLYGCPSA-N 2 1 359.474 0.719 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000419139436 246011739 /nfs/dbraw/zinc/01/17/39/246011739.db2.gz URSQFAPZGARTDY-QZTJIDSGSA-N 2 1 374.485 0.343 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)[nH+]1 ZINC000419143666 246013203 /nfs/dbraw/zinc/01/32/03/246013203.db2.gz ZKTFAKWNGXSLIS-CZUORRHYSA-N 2 1 359.474 0.589 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419140813 246013460 /nfs/dbraw/zinc/01/34/60/246013460.db2.gz WECBLDIZJMHPLE-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000419140756 246013874 /nfs/dbraw/zinc/01/38/74/246013874.db2.gz WAUATTUGWSUFEV-INIZCTEOSA-N 2 1 359.474 0.815 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144909 246013967 /nfs/dbraw/zinc/01/39/67/246013967.db2.gz GZUPEWFPOSLERJ-HUUCEWRRSA-N 2 1 364.515 0.897 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419165476 246028478 /nfs/dbraw/zinc/02/84/78/246028478.db2.gz GLIYTFVIMNWTKV-HOTGVXAUSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169101 246030426 /nfs/dbraw/zinc/03/04/26/246030426.db2.gz UFLORPHMBYKQIV-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419173616 246034362 /nfs/dbraw/zinc/03/43/62/246034362.db2.gz MCXCWKJEMAJMCG-DLBZAZTESA-N 2 1 355.442 0.651 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419176118 246036032 /nfs/dbraw/zinc/03/60/32/246036032.db2.gz YQHLKAHPFDDWNB-WMZOPIPTSA-N 2 1 358.486 0.521 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000419182702 246039313 /nfs/dbraw/zinc/03/93/13/246039313.db2.gz BQMBEVSMUIQQGG-CYBMUJFWSA-N 2 1 356.417 0.723 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000419182702 246039316 /nfs/dbraw/zinc/03/93/16/246039316.db2.gz BQMBEVSMUIQQGG-CYBMUJFWSA-N 2 1 356.417 0.723 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419180863 246040057 /nfs/dbraw/zinc/04/00/57/246040057.db2.gz AXCJKJVRAIXUBR-INIZCTEOSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186911 246040859 /nfs/dbraw/zinc/04/08/59/246040859.db2.gz FIZCEWNCSNSRGG-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419184921 246042641 /nfs/dbraw/zinc/04/26/41/246042641.db2.gz OMWJAPRAEPEUDP-DLBZAZTESA-N 2 1 366.506 0.394 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162346 246026402 /nfs/dbraw/zinc/02/64/02/246026402.db2.gz GZYNPTSGSNLZPA-QZTJIDSGSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419230505 246067110 /nfs/dbraw/zinc/06/71/10/246067110.db2.gz IUYVPIULBGANPX-RISCZKNCSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419230505 246067114 /nfs/dbraw/zinc/06/71/14/246067114.db2.gz IUYVPIULBGANPX-RISCZKNCSA-N 2 1 350.488 0.464 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215849 246059469 /nfs/dbraw/zinc/05/94/69/246059469.db2.gz ZMJXANABIGUPPZ-QWHCGFSZSA-N 2 1 366.428 0.820 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215849 246059472 /nfs/dbraw/zinc/05/94/72/246059472.db2.gz ZMJXANABIGUPPZ-QWHCGFSZSA-N 2 1 366.428 0.820 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419215358 246059661 /nfs/dbraw/zinc/05/96/61/246059661.db2.gz YUASMRWFYNKRHV-CEXWTWQISA-N 2 1 370.497 0.835 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215848 246060130 /nfs/dbraw/zinc/06/01/30/246060130.db2.gz ZMJXANABIGUPPZ-OLZOCXBDSA-N 2 1 366.428 0.820 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215848 246060134 /nfs/dbraw/zinc/06/01/34/246060134.db2.gz ZMJXANABIGUPPZ-OLZOCXBDSA-N 2 1 366.428 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228605 246067321 /nfs/dbraw/zinc/06/73/21/246067321.db2.gz MLVAIFVONPNJSL-RYRKJORJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419223120 246062266 /nfs/dbraw/zinc/06/22/66/246062266.db2.gz CLCSPKCWMINDTM-DJIMGWMZSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419225190 246065638 /nfs/dbraw/zinc/06/56/38/246065638.db2.gz GRWNGDICVXLCKE-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419230420 246066682 /nfs/dbraw/zinc/06/66/82/246066682.db2.gz PWMVUUBGOGHFEN-FHLIZLRMSA-N 2 1 358.486 0.867 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419199524 246048499 /nfs/dbraw/zinc/04/84/99/246048499.db2.gz ZWRYUBSIAORXMO-UHFFFAOYSA-N 2 1 372.391 0.617 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419235542 246070000 /nfs/dbraw/zinc/07/00/00/246070000.db2.gz NEBKIKSZHKRXRZ-MAUKXSAKSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419235542 246070004 /nfs/dbraw/zinc/07/00/04/246070004.db2.gz NEBKIKSZHKRXRZ-MAUKXSAKSA-N 2 1 374.485 0.126 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419233884 246070137 /nfs/dbraw/zinc/07/01/37/246070137.db2.gz WVPZNORLGKCKKC-USXIJHARSA-N 2 1 350.507 0.871 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419235352 246070181 /nfs/dbraw/zinc/07/01/81/246070181.db2.gz YVQALCBVNNIEJG-DLBZAZTESA-N 2 1 350.507 0.825 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419233993 246072521 /nfs/dbraw/zinc/07/25/21/246072521.db2.gz XCUPAUJDQRHRNF-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419385522 246128227 /nfs/dbraw/zinc/12/82/27/246128227.db2.gz CMHPXUSPEGVTIW-QZTJIDSGSA-N 2 1 356.470 0.229 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419385522 246128230 /nfs/dbraw/zinc/12/82/30/246128230.db2.gz CMHPXUSPEGVTIW-QZTJIDSGSA-N 2 1 356.470 0.229 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000419392457 246128758 /nfs/dbraw/zinc/12/87/58/246128758.db2.gz LAYWADDERHXKLG-OAHLLOKOSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000419392457 246128768 /nfs/dbraw/zinc/12/87/68/246128768.db2.gz LAYWADDERHXKLG-OAHLLOKOSA-N 2 1 358.486 0.747 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419390609 246129477 /nfs/dbraw/zinc/12/94/77/246129477.db2.gz GNECVHSUMMEYCJ-OAHLLOKOSA-N 2 1 350.488 0.137 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419351584 246112957 /nfs/dbraw/zinc/11/29/57/246112957.db2.gz HQPHBZWNMUOGPO-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419412428 246146584 /nfs/dbraw/zinc/14/65/84/246146584.db2.gz REFFMTONEOAEOV-QZTJIDSGSA-N 2 1 358.486 0.793 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419391309 246131161 /nfs/dbraw/zinc/13/11/61/246131161.db2.gz JSOYQVKBTIUVPY-QZTJIDSGSA-N 2 1 374.485 0.126 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399156 246134183 /nfs/dbraw/zinc/13/41/83/246134183.db2.gz JBWGKGFUWGEBDN-BQFCYCMXSA-N 2 1 360.502 0.985 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399362 246135114 /nfs/dbraw/zinc/13/51/14/246135114.db2.gz JHLQWRMAFPYNJO-WBAXXEDZSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399704 246135545 /nfs/dbraw/zinc/13/55/45/246135545.db2.gz KEZPGGIMYXJYBO-JCGIZDLHSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000419404286 246136673 /nfs/dbraw/zinc/13/66/73/246136673.db2.gz FRZLLEBPXRJNTO-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419405794 246139023 /nfs/dbraw/zinc/13/90/23/246139023.db2.gz HXZWRZUAEXNAQI-OTWHNJEPSA-N 2 1 370.497 0.617 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419407137 246139334 /nfs/dbraw/zinc/13/93/34/246139334.db2.gz KCQJMHFYZZWEGU-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419405793 246139735 /nfs/dbraw/zinc/13/97/35/246139735.db2.gz HXZWRZUAEXNAQI-CEXWTWQISA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404620 246139968 /nfs/dbraw/zinc/13/99/68/246139968.db2.gz UDVDWCZNGREINA-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409189 246141098 /nfs/dbraw/zinc/14/10/98/246141098.db2.gz DTRLBMYAWNUULY-PVAVHDDUSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409189 246141103 /nfs/dbraw/zinc/14/11/03/246141103.db2.gz DTRLBMYAWNUULY-PVAVHDDUSA-N 2 1 362.474 0.246 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419407297 246142140 /nfs/dbraw/zinc/14/21/40/246142140.db2.gz YBDRLQQSTAVFFT-INIZCTEOSA-N 2 1 364.515 0.398 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419407297 246142144 /nfs/dbraw/zinc/14/21/44/246142144.db2.gz YBDRLQQSTAVFFT-INIZCTEOSA-N 2 1 364.515 0.398 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419422140 246154381 /nfs/dbraw/zinc/15/43/81/246154381.db2.gz LXNUSICVOCOOMN-CQSZACIVSA-N 2 1 354.401 0.650 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430822 246158476 /nfs/dbraw/zinc/15/84/76/246158476.db2.gz WEEGFLNAKLGMAT-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419430908 246159771 /nfs/dbraw/zinc/15/97/71/246159771.db2.gz WPTXBTCGRFHQFG-OAQYLSRUSA-N 2 1 370.497 0.763 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419453789 246171610 /nfs/dbraw/zinc/17/16/10/246171610.db2.gz SGCAOUYKCXJRKE-FUHWJXTLSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510336 246186211 /nfs/dbraw/zinc/18/62/11/246186211.db2.gz UCRMPAIXVGQPDL-DLBZAZTESA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419524240 246190423 /nfs/dbraw/zinc/19/04/23/246190423.db2.gz BSUKUGCHQMPFQV-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000419528056 246191973 /nfs/dbraw/zinc/19/19/73/246191973.db2.gz VYEXRATZWJCTTF-DLBZAZTESA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470505 246174368 /nfs/dbraw/zinc/17/43/68/246174368.db2.gz FLRXDFROEZVNAS-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419488031 246181155 /nfs/dbraw/zinc/18/11/55/246181155.db2.gz ZQZSGJQNLVJEBK-WNKDZCFJSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419532145 246195736 /nfs/dbraw/zinc/19/57/36/246195736.db2.gz MIDHOYUFUURAKV-YFHUEUNASA-N 2 1 358.486 0.832 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419537715 246195924 /nfs/dbraw/zinc/19/59/24/246195924.db2.gz WECGFHCJWXNHDA-KBAYOESNSA-N 2 1 374.485 0.199 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419539907 246197314 /nfs/dbraw/zinc/19/73/14/246197314.db2.gz QCDDRKPIPLMFFK-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000419650359 246230084 /nfs/dbraw/zinc/23/00/84/246230084.db2.gz CVDMDZNQPPPXCI-AITUJVMLSA-N 2 1 370.497 0.976 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000419719519 246269483 /nfs/dbraw/zinc/26/94/83/246269483.db2.gz GNHQRTKORVAYBU-ZDUSSCGKSA-N 2 1 366.412 0.605 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419665701 246238244 /nfs/dbraw/zinc/23/82/44/246238244.db2.gz URXVEGAHHAZJLA-CYGHRXIMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419703465 246259659 /nfs/dbraw/zinc/25/96/59/246259659.db2.gz DHEPOEIPNFXXCA-LMSBXDPUSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419707247 246261841 /nfs/dbraw/zinc/26/18/41/246261841.db2.gz LVNOYDYLMDZUPS-CYGHRXIMSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419717442 246268028 /nfs/dbraw/zinc/26/80/28/246268028.db2.gz BHQPHIWHZUCCML-IRXDYDNUSA-N 2 1 366.506 0.206 20 0 FCADMP CN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000419764785 246289549 /nfs/dbraw/zinc/28/95/49/246289549.db2.gz WVRPLLGEEIHNKQ-UHFFFAOYSA-N 2 1 350.438 0.584 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760812 246289751 /nfs/dbraw/zinc/28/97/51/246289751.db2.gz OHNPWCDROOPMPC-HOTGVXAUSA-N 2 1 350.438 0.760 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000419778215 246293395 /nfs/dbraw/zinc/29/33/95/246293395.db2.gz OHANXDMOKLTSPR-RRFJBIMHSA-N 2 1 354.495 0.188 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000419800471 246298857 /nfs/dbraw/zinc/29/88/57/246298857.db2.gz AIJSVPQRROTRCJ-CVEARBPZSA-N 2 1 362.474 0.991 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419730722 246274397 /nfs/dbraw/zinc/27/43/97/246274397.db2.gz QBIJBBWVJWUKRR-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419837648 246311918 /nfs/dbraw/zinc/31/19/18/246311918.db2.gz WXBLKEPRVUNTOM-IRXDYDNUSA-N 2 1 369.554 0.208 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419907960 246364221 /nfs/dbraw/zinc/36/42/21/246364221.db2.gz DEKFQYYKZGKULV-HNNXBMFYSA-N 2 1 364.515 0.551 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419918589 246368270 /nfs/dbraw/zinc/36/82/70/246368270.db2.gz UOUUJJOGVVEAGB-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000419918589 246368277 /nfs/dbraw/zinc/36/82/77/246368277.db2.gz UOUUJJOGVVEAGB-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000419920472 246369276 /nfs/dbraw/zinc/36/92/76/246369276.db2.gz GPKUUXDPFDMLBZ-UHFFFAOYSA-N 2 1 366.465 0.820 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419924891 246370999 /nfs/dbraw/zinc/37/09/99/246370999.db2.gz NQLFTAKVFBOSCA-MOPGFXCFSA-N 2 1 370.497 0.835 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000419876875 246343944 /nfs/dbraw/zinc/34/39/44/246343944.db2.gz PZQWJXSBCVNDGN-QGZVFWFLSA-N 2 1 361.490 0.620 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419876820 246344006 /nfs/dbraw/zinc/34/40/06/246344006.db2.gz IHCLZYQLPDNQHG-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000419876905 246344277 /nfs/dbraw/zinc/34/42/77/246344277.db2.gz QCDCJJKZDXSZGP-UHFFFAOYSA-N 2 1 362.474 0.455 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000419876905 246344284 /nfs/dbraw/zinc/34/42/84/246344284.db2.gz QCDCJJKZDXSZGP-UHFFFAOYSA-N 2 1 362.474 0.455 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419889179 246352246 /nfs/dbraw/zinc/35/22/46/246352246.db2.gz GSZRCENDAOPTBM-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419900125 246359465 /nfs/dbraw/zinc/35/94/65/246359465.db2.gz QKECJIZRPXIMFI-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000419942056 246380358 /nfs/dbraw/zinc/38/03/58/246380358.db2.gz YUZNCFCDECFWRD-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000419942056 246380363 /nfs/dbraw/zinc/38/03/63/246380363.db2.gz YUZNCFCDECFWRD-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419945029 246381180 /nfs/dbraw/zinc/38/11/80/246381180.db2.gz BWPMGHCGVNXXCN-DOTOQJQBSA-N 2 1 361.490 0.606 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000419948267 246381980 /nfs/dbraw/zinc/38/19/80/246381980.db2.gz FHAVASUVKQXLKA-CVEARBPZSA-N 2 1 356.511 0.435 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000419948267 246381985 /nfs/dbraw/zinc/38/19/85/246381985.db2.gz FHAVASUVKQXLKA-CVEARBPZSA-N 2 1 356.511 0.435 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419971426 246395310 /nfs/dbraw/zinc/39/53/10/246395310.db2.gz WRLPCUUVIFZCKU-HLLBOEOZSA-N 2 1 368.522 0.626 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000423379405 247015042 /nfs/dbraw/zinc/01/50/42/247015042.db2.gz LVIOAMFVYSWQOC-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[N@H+]1C ZINC000423379405 247015045 /nfs/dbraw/zinc/01/50/45/247015045.db2.gz LVIOAMFVYSWQOC-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC[N@@H+]1C ZINC000423381742 247015613 /nfs/dbraw/zinc/01/56/13/247015613.db2.gz OBCDWAYASWPVCH-IKGGRYGDSA-N 2 1 366.506 0.140 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC[N@H+]1C ZINC000423381742 247015616 /nfs/dbraw/zinc/01/56/16/247015616.db2.gz OBCDWAYASWPVCH-IKGGRYGDSA-N 2 1 366.506 0.140 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530550 247044465 /nfs/dbraw/zinc/04/44/65/247044465.db2.gz PPSHROWYMNRVNV-IRXDYDNUSA-N 2 1 367.538 0.199 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423534061 247045172 /nfs/dbraw/zinc/04/51/72/247045172.db2.gz ZIJBVIXJRSAMHN-IXDOHACOSA-N 2 1 368.522 0.389 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000423534061 247045178 /nfs/dbraw/zinc/04/51/78/247045178.db2.gz ZIJBVIXJRSAMHN-IXDOHACOSA-N 2 1 368.522 0.389 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000423541490 247046486 /nfs/dbraw/zinc/04/64/86/247046486.db2.gz RZMCSNNEWPLLOR-LSDHHAIUSA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000423541490 247046495 /nfs/dbraw/zinc/04/64/95/247046495.db2.gz RZMCSNNEWPLLOR-LSDHHAIUSA-N 2 1 356.511 0.122 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423541964 247047428 /nfs/dbraw/zinc/04/74/28/247047428.db2.gz SNIQCJRXQDZPKY-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000423541964 247047434 /nfs/dbraw/zinc/04/74/34/247047434.db2.gz SNIQCJRXQDZPKY-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423583236 247062565 /nfs/dbraw/zinc/06/25/65/247062565.db2.gz BVNRUXDIISABCI-QGZVFWFLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423471410 247033411 /nfs/dbraw/zinc/03/34/11/247033411.db2.gz WXFDWOSWGYFXNV-FUHWJXTLSA-N 2 1 358.486 0.917 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423694026 247113916 /nfs/dbraw/zinc/11/39/16/247113916.db2.gz FOXQZQDTQPXFKN-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423694026 247113923 /nfs/dbraw/zinc/11/39/23/247113923.db2.gz FOXQZQDTQPXFKN-HNNXBMFYSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423615924 247076770 /nfs/dbraw/zinc/07/67/70/247076770.db2.gz RLLLJIOPXNJANJ-GOSISDBHSA-N 2 1 358.486 0.584 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423626938 247083440 /nfs/dbraw/zinc/08/34/40/247083440.db2.gz GPWLEERIRHMBDA-LSDHHAIUSA-N 2 1 364.515 0.631 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423642988 247088230 /nfs/dbraw/zinc/08/82/30/247088230.db2.gz CHDJRVFZFQDAPB-IBGZPJMESA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423642988 247088243 /nfs/dbraw/zinc/08/82/43/247088243.db2.gz CHDJRVFZFQDAPB-IBGZPJMESA-N 2 1 372.513 0.830 20 0 FCADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645530 247089232 /nfs/dbraw/zinc/08/92/32/247089232.db2.gz KUUDUMIVVHFIRE-OTWHNJEPSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000423652345 247094480 /nfs/dbraw/zinc/09/44/80/247094480.db2.gz NHCVIRTXGNBCTP-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423652411 247094807 /nfs/dbraw/zinc/09/48/07/247094807.db2.gz UQWOPSKOTZCYFS-NXHRZFHOSA-N 2 1 356.470 0.397 20 0 FCADMP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000423670244 247103130 /nfs/dbraw/zinc/10/31/30/247103130.db2.gz UWFVLRVOXQNLEF-UHFFFAOYSA-N 2 1 374.485 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771359 247139316 /nfs/dbraw/zinc/13/93/16/247139316.db2.gz FVZUSZWEJWFNQX-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861484 247145949 /nfs/dbraw/zinc/14/59/49/247145949.db2.gz COADEDWUFXKXFT-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423718945 247124121 /nfs/dbraw/zinc/12/41/21/247124121.db2.gz LZXMYIQTNQDSAM-JXFKEZNVSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[C@@H]1C[NH3+] ZINC000423724375 247126135 /nfs/dbraw/zinc/12/61/35/247126135.db2.gz HBQBEWNAFMNZGY-GOEBONIOSA-N 2 1 361.490 0.787 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000423737802 247132486 /nfs/dbraw/zinc/13/24/86/247132486.db2.gz PXXWNAHEQUBZMO-HZPDHXFCSA-N 2 1 368.522 0.389 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000423743364 247135875 /nfs/dbraw/zinc/13/58/75/247135875.db2.gz LRBKBUWZPKKDTQ-QXCFHYIPSA-N 2 1 370.497 0.773 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)cc2F)CC1 ZINC000424046492 247164789 /nfs/dbraw/zinc/16/47/89/247164789.db2.gz REWLQQHWTLYTRZ-ZWKOTPCHSA-N 2 1 362.449 0.780 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000424141539 247172107 /nfs/dbraw/zinc/17/21/07/247172107.db2.gz CWKORQDZHQCSBB-HZPDHXFCSA-N 2 1 362.478 0.387 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218259 247178710 /nfs/dbraw/zinc/17/87/10/247178710.db2.gz RUYCWEAZDKMWAX-RCCFBDPRSA-N 2 1 356.470 0.588 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000424495509 247239545 /nfs/dbraw/zinc/23/95/45/247239545.db2.gz QMSBEAPFYVULHJ-HNNXBMFYSA-N 2 1 356.511 0.387 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424495007 247239834 /nfs/dbraw/zinc/23/98/34/247239834.db2.gz OYUUMMIPHLPZSN-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424522059 247251605 /nfs/dbraw/zinc/25/16/05/247251605.db2.gz MMWAZTHZVUYVNU-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000424456567 247225708 /nfs/dbraw/zinc/22/57/08/247225708.db2.gz PQVUZMUANSPHTH-QGZVFWFLSA-N 2 1 362.474 0.745 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000425382797 247330800 /nfs/dbraw/zinc/33/08/00/247330800.db2.gz HYQCHZACSGWOLJ-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425405941 247336316 /nfs/dbraw/zinc/33/63/16/247336316.db2.gz RRAXVQOYXCPTOQ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425405941 247336317 /nfs/dbraw/zinc/33/63/17/247336317.db2.gz RRAXVQOYXCPTOQ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425405941 247336321 /nfs/dbraw/zinc/33/63/21/247336321.db2.gz RRAXVQOYXCPTOQ-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000436350612 248038838 /nfs/dbraw/zinc/03/88/38/248038838.db2.gz WICJNEOREMJYNY-MRXNPFEDSA-N 2 1 358.527 0.831 20 0 FCADMP Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])sc2n1 ZINC000436059755 248031146 /nfs/dbraw/zinc/03/11/46/248031146.db2.gz PEASDRWQFYVQQR-GFCCVEGCSA-N 2 1 364.475 0.279 20 0 FCADMP Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])sc2n1 ZINC000436059755 248031149 /nfs/dbraw/zinc/03/11/49/248031149.db2.gz PEASDRWQFYVQQR-GFCCVEGCSA-N 2 1 364.475 0.279 20 0 FCADMP COc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436057724 248031464 /nfs/dbraw/zinc/03/14/64/248031464.db2.gz WTALNIRJGXXZNV-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP COc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436057724 248031466 /nfs/dbraw/zinc/03/14/66/248031466.db2.gz WTALNIRJGXXZNV-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438881318 248099865 /nfs/dbraw/zinc/09/98/65/248099865.db2.gz BHZJFLZAILJJJK-PBHICJAKSA-N 2 1 371.485 0.741 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000439345033 248121874 /nfs/dbraw/zinc/12/18/74/248121874.db2.gz KTUDJFATAXDCHW-SFHVURJKSA-N 2 1 368.522 0.448 20 0 FCADMP COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000441230002 248244554 /nfs/dbraw/zinc/24/45/54/248244554.db2.gz IZDCJGAJOALAPJ-KRWDZBQOSA-N 2 1 355.479 0.221 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2)C1 ZINC000444168294 248349412 /nfs/dbraw/zinc/34/94/12/248349412.db2.gz NNBZSYOKNCJHFL-LVCYWYKZSA-N 2 1 370.497 1.000 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446369852 248388390 /nfs/dbraw/zinc/38/83/90/248388390.db2.gz OSYWKLXZSMOPMY-URLQWDBASA-N 2 1 366.506 0.188 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457558496 249591499 /nfs/dbraw/zinc/59/14/99/249591499.db2.gz UFLAIULLIIWKID-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP COCOc1ccc(OC)cc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000271259279 211366783 /nfs/dbraw/zinc/36/67/83/211366783.db2.gz YZNMNMIFFZSDSU-UHFFFAOYSA-N 2 1 351.447 0.932 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470964224 250082847 /nfs/dbraw/zinc/08/28/47/250082847.db2.gz VUQDUICXLNKERD-YJBOKZPZSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472277347 250143655 /nfs/dbraw/zinc/14/36/55/250143655.db2.gz MYXSSENVHSKXBC-KRWDZBQOSA-N 2 1 354.495 0.110 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000474034843 250265643 /nfs/dbraw/zinc/26/56/43/250265643.db2.gz MYCVXNWGDIRAJE-MRXNPFEDSA-N 2 1 356.511 0.489 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000480886905 250292421 /nfs/dbraw/zinc/29/24/21/250292421.db2.gz VPNATHGBKDTDEO-INIZCTEOSA-N 2 1 370.538 0.650 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000481023056 250308744 /nfs/dbraw/zinc/30/87/44/250308744.db2.gz ZZQXVPALAPVUHP-QKPAOTATSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000481023056 250308747 /nfs/dbraw/zinc/30/87/47/250308747.db2.gz ZZQXVPALAPVUHP-QKPAOTATSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000481023056 250308750 /nfs/dbraw/zinc/30/87/50/250308750.db2.gz ZZQXVPALAPVUHP-QKPAOTATSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)CN1CC[NH+](C)CC1 ZINC000481697201 250350194 /nfs/dbraw/zinc/35/01/94/250350194.db2.gz PHWOLYJXRARBCK-NVXWUHKLSA-N 2 1 357.568 0.606 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879241 250370311 /nfs/dbraw/zinc/37/03/11/250370311.db2.gz NDRSWWXIWMNJEH-HZPDHXFCSA-N 2 1 368.522 0.044 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000482530378 250392905 /nfs/dbraw/zinc/39/29/05/250392905.db2.gz LGQUUHHKCHEUHF-RYUDHWBXSA-N 2 1 360.505 0.652 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000482530378 250392907 /nfs/dbraw/zinc/39/29/07/250392907.db2.gz LGQUUHHKCHEUHF-RYUDHWBXSA-N 2 1 360.505 0.652 20 0 FCADMP C[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)N1CC[NH+](C)CC1 ZINC000269657933 211037159 /nfs/dbraw/zinc/03/71/59/211037159.db2.gz HUDRQWKOZVLEKD-NVXWUHKLSA-N 2 1 360.506 0.796 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC[N@@H+](C)C1 ZINC000413079065 532989002 /nfs/dbraw/zinc/98/90/02/532989002.db2.gz UIFMDSQDGUPNCX-OAHLLOKOSA-N 2 1 354.495 0.853 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000104141401 208181006 /nfs/dbraw/zinc/18/10/06/208181006.db2.gz TWNYPBCEEBIIBV-KRWDZBQOSA-N 2 1 360.506 0.979 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000104141401 208181011 /nfs/dbraw/zinc/18/10/11/208181011.db2.gz TWNYPBCEEBIIBV-KRWDZBQOSA-N 2 1 360.506 0.979 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000106124966 208210262 /nfs/dbraw/zinc/21/02/62/208210262.db2.gz KPBZGWXXHCLBOX-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[N@H+](CCN1CC[NH+](CCN2C(=O)CCC2=O)CC1)Cc1ccccc1 ZINC000108865697 208252201 /nfs/dbraw/zinc/25/22/01/208252201.db2.gz WGKHJTRXAXOVDU-UHFFFAOYSA-N 2 1 358.486 0.885 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCN2C(=O)CCC2=O)CC1)Cc1ccccc1 ZINC000108865697 208252207 /nfs/dbraw/zinc/25/22/07/208252207.db2.gz WGKHJTRXAXOVDU-UHFFFAOYSA-N 2 1 358.486 0.885 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112213485 208289500 /nfs/dbraw/zinc/28/95/00/208289500.db2.gz BNUFKDUDEMISGT-KRWDZBQOSA-N 2 1 356.511 0.709 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000266700622 210384923 /nfs/dbraw/zinc/38/49/23/210384923.db2.gz RTTMCXPOZZHRFC-UHFFFAOYSA-N 2 1 364.490 0.814 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000246768470 209397907 /nfs/dbraw/zinc/39/79/07/209397907.db2.gz HZRHPKAUHSWLHJ-ZACQAIPSSA-N 2 1 365.522 0.807 20 0 FCADMP CCC(CC)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000132105488 208664451 /nfs/dbraw/zinc/66/44/51/208664451.db2.gz ZSZDJTDBMPJOHZ-IAGOWNOFSA-N 2 1 368.522 0.437 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000176991496 209013049 /nfs/dbraw/zinc/01/30/49/209013049.db2.gz AXDQOIYTUCJDKW-LJQANCHMSA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000176991496 209013053 /nfs/dbraw/zinc/01/30/53/209013053.db2.gz AXDQOIYTUCJDKW-LJQANCHMSA-N 2 1 361.486 0.980 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000377763069 230002872 /nfs/dbraw/zinc/00/28/72/230002872.db2.gz RIRMYZAPERKAOI-KRWDZBQOSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000410437045 230079709 /nfs/dbraw/zinc/07/97/09/230079709.db2.gz SGVMOTUCHWTLKC-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410439215 230080607 /nfs/dbraw/zinc/08/06/07/230080607.db2.gz VQXOTOIRDPXVSI-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000410527236 230122916 /nfs/dbraw/zinc/12/29/16/230122916.db2.gz PYBWHIVOCLGNOU-CVEARBPZSA-N 2 1 359.474 0.364 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000410527236 230122920 /nfs/dbraw/zinc/12/29/20/230122920.db2.gz PYBWHIVOCLGNOU-CVEARBPZSA-N 2 1 359.474 0.364 20 0 FCADMP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000932623542 674204547 /nfs/dbraw/zinc/20/45/47/674204547.db2.gz ZYRKFYXXZKEXLT-DZGCQCFKSA-N 2 1 370.519 0.803 20 0 FCADMP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932623542 674204550 /nfs/dbraw/zinc/20/45/50/674204550.db2.gz ZYRKFYXXZKEXLT-DZGCQCFKSA-N 2 1 370.519 0.803 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000933475574 674258745 /nfs/dbraw/zinc/25/87/45/674258745.db2.gz INNZNZOJAXBDMB-OAHLLOKOSA-N 2 1 350.467 0.372 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000532596210 484201362 /nfs/dbraw/zinc/20/13/62/484201362.db2.gz OBKFLGQNSUREPI-UHFFFAOYSA-N 2 1 350.467 0.326 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000508994160 484303461 /nfs/dbraw/zinc/30/34/61/484303461.db2.gz CMSLAPFZJRMPBO-AWEZNQCLSA-N 2 1 350.467 0.374 20 0 FCADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000278543927 488880669 /nfs/dbraw/zinc/88/06/69/488880669.db2.gz GQJMWPZWDQUNPC-INIZCTEOSA-N 2 1 368.503 0.539 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000562789070 491189392 /nfs/dbraw/zinc/18/93/92/491189392.db2.gz KHMWZRZCRNESHR-KRWDZBQOSA-N 2 1 359.474 0.625 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000287565804 488881712 /nfs/dbraw/zinc/88/17/12/488881712.db2.gz UQVOCQYDSSSAGE-INIZCTEOSA-N 2 1 360.502 0.794 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794823 491189488 /nfs/dbraw/zinc/18/94/88/491189488.db2.gz ROFRKPBQTBQOEL-UKRRQHHQSA-N 2 1 351.520 0.779 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794823 491189489 /nfs/dbraw/zinc/18/94/89/491189489.db2.gz ROFRKPBQTBQOEL-UKRRQHHQSA-N 2 1 351.520 0.779 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000287534649 488878713 /nfs/dbraw/zinc/87/87/13/488878713.db2.gz BYQFJFUIAKGAGN-HNNXBMFYSA-N 2 1 365.478 0.230 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000287801201 488907525 /nfs/dbraw/zinc/90/75/25/488907525.db2.gz MGXYBAZLYKXNKL-UHFFFAOYSA-N 2 1 353.467 0.172 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000287801201 488907526 /nfs/dbraw/zinc/90/75/26/488907526.db2.gz MGXYBAZLYKXNKL-UHFFFAOYSA-N 2 1 353.467 0.172 20 0 FCADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364204239 488934864 /nfs/dbraw/zinc/93/48/64/488934864.db2.gz WUPOGYKQJQENPU-ZYSHUDEJSA-N 2 1 361.486 0.583 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000288122353 488946590 /nfs/dbraw/zinc/94/65/90/488946590.db2.gz JHSHKKFEVXQKEP-QGZVFWFLSA-N 2 1 364.465 0.926 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000288124967 488946781 /nfs/dbraw/zinc/94/67/81/488946781.db2.gz KGHYLOSSCXWHEJ-UHFFFAOYSA-N 2 1 353.467 0.125 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000288124967 488946783 /nfs/dbraw/zinc/94/67/83/488946783.db2.gz KGHYLOSSCXWHEJ-UHFFFAOYSA-N 2 1 353.467 0.125 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CC=CCC1 ZINC000279519337 488949334 /nfs/dbraw/zinc/94/93/34/488949334.db2.gz BAQVQSPIJCMFMA-UHFFFAOYSA-N 2 1 373.505 0.550 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000279519337 488949336 /nfs/dbraw/zinc/94/93/36/488949336.db2.gz BAQVQSPIJCMFMA-UHFFFAOYSA-N 2 1 373.505 0.550 20 0 FCADMP C[C@](O)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C[NH+]1CCOCC1 ZINC000364387474 488954275 /nfs/dbraw/zinc/95/42/75/488954275.db2.gz RABYQOKZMYCNHF-SFHVURJKSA-N 2 1 369.506 0.221 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000028422214 487709124 /nfs/dbraw/zinc/70/91/24/487709124.db2.gz RCIFTHKOJFCSLZ-UHFFFAOYSA-N 2 1 360.462 0.124 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043860320 487905812 /nfs/dbraw/zinc/90/58/12/487905812.db2.gz HFAJTPIULHYYOR-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043860320 487905815 /nfs/dbraw/zinc/90/58/15/487905815.db2.gz HFAJTPIULHYYOR-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000052133781 488159127 /nfs/dbraw/zinc/15/91/27/488159127.db2.gz MHWCUSNXKMZZMP-INIZCTEOSA-N 2 1 374.551 0.381 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000052133781 488159130 /nfs/dbraw/zinc/15/91/30/488159130.db2.gz MHWCUSNXKMZZMP-INIZCTEOSA-N 2 1 374.551 0.381 20 0 FCADMP O=C(C[N@H+](CCO)CC1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000064516471 488313332 /nfs/dbraw/zinc/31/33/32/488313332.db2.gz KLRMVRLBKZRPSN-UHFFFAOYSA-N 2 1 353.507 0.842 20 0 FCADMP O=C(C[N@@H+](CCO)CC1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000064516471 488313336 /nfs/dbraw/zinc/31/33/36/488313336.db2.gz KLRMVRLBKZRPSN-UHFFFAOYSA-N 2 1 353.507 0.842 20 0 FCADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NC1C[NH2+]C1 ZINC000562828930 491193860 /nfs/dbraw/zinc/19/38/60/491193860.db2.gz TYBRWENUYUBUPI-OAHLLOKOSA-N 2 1 350.850 0.681 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000569808514 491193685 /nfs/dbraw/zinc/19/36/85/491193685.db2.gz UHGYIIDAORWAIN-OWCLPIDISA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225590 488384009 /nfs/dbraw/zinc/38/40/09/488384009.db2.gz ZCGVOSQFFHLXTR-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225590 488384010 /nfs/dbraw/zinc/38/40/10/488384010.db2.gz ZCGVOSQFFHLXTR-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225590 488384011 /nfs/dbraw/zinc/38/40/11/488384011.db2.gz ZCGVOSQFFHLXTR-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000073225590 488384012 /nfs/dbraw/zinc/38/40/12/488384012.db2.gz ZCGVOSQFFHLXTR-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000073253780 488384182 /nfs/dbraw/zinc/38/41/82/488384182.db2.gz KBLXJVSOWPNRRJ-CQSZACIVSA-N 2 1 354.414 0.806 20 0 FCADMP CC(C)(CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000073489064 488384708 /nfs/dbraw/zinc/38/47/08/488384708.db2.gz ZWCMHFHHKOBAMH-GOSISDBHSA-N 2 1 356.511 0.633 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667266 488385650 /nfs/dbraw/zinc/38/56/50/488385650.db2.gz UJCVBHTUAMTGRM-ROUUACIJSA-N 2 1 369.554 0.765 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000073713182 488385851 /nfs/dbraw/zinc/38/58/51/488385851.db2.gz IYCSZCCTOWTZGW-LJQANCHMSA-N 2 1 364.490 0.631 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000074098168 488387456 /nfs/dbraw/zinc/38/74/56/488387456.db2.gz CWKNAZKHOWNPDS-ZACQAIPSSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000074098168 488387457 /nfs/dbraw/zinc/38/74/57/488387457.db2.gz CWKNAZKHOWNPDS-ZACQAIPSSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000074098168 488387458 /nfs/dbraw/zinc/38/74/58/488387458.db2.gz CWKNAZKHOWNPDS-ZACQAIPSSA-N 2 1 353.511 0.032 20 0 FCADMP COC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814380 491194636 /nfs/dbraw/zinc/19/46/36/491194636.db2.gz KGIMMTFEZBCIMK-VQIMIIECSA-N 2 1 360.458 0.701 20 0 FCADMP COC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814380 491194641 /nfs/dbraw/zinc/19/46/41/491194641.db2.gz KGIMMTFEZBCIMK-VQIMIIECSA-N 2 1 360.458 0.701 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000074345303 488390679 /nfs/dbraw/zinc/39/06/79/488390679.db2.gz CXHHBBAABGQIDG-GJZGRUSLSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000074345303 488390682 /nfs/dbraw/zinc/39/06/82/488390682.db2.gz CXHHBBAABGQIDG-GJZGRUSLSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000074345303 488390684 /nfs/dbraw/zinc/39/06/84/488390684.db2.gz CXHHBBAABGQIDG-GJZGRUSLSA-N 2 1 351.495 0.357 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000183394535 488392345 /nfs/dbraw/zinc/39/23/45/488392345.db2.gz QTKNRALPZRNPQT-UHFFFAOYSA-N 2 1 368.570 0.291 20 0 FCADMP C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737326 488402276 /nfs/dbraw/zinc/40/22/76/488402276.db2.gz SGYLLLNACNSLSM-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737326 488402278 /nfs/dbraw/zinc/40/22/78/488402278.db2.gz SGYLLLNACNSLSM-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000569836146 491196789 /nfs/dbraw/zinc/19/67/89/491196789.db2.gz ZURHBZIXGNHOAC-OWCLPIDISA-N 2 1 359.474 0.962 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000077804568 488418268 /nfs/dbraw/zinc/41/82/68/488418268.db2.gz DEUHIJVMSJFJTE-HZPDHXFCSA-N 2 1 367.538 0.864 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@H](C)C1 ZINC000192814334 488424531 /nfs/dbraw/zinc/42/45/31/488424531.db2.gz AYMOGGHGGZDHCB-IAGOWNOFSA-N 2 1 364.490 0.311 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668332374 493332344 /nfs/dbraw/zinc/33/23/44/493332344.db2.gz KYHPHDNOQHKCJW-INIZCTEOSA-N 2 1 366.506 0.348 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668332374 493332346 /nfs/dbraw/zinc/33/23/46/493332346.db2.gz KYHPHDNOQHKCJW-INIZCTEOSA-N 2 1 366.506 0.348 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193709855 488429207 /nfs/dbraw/zinc/42/92/07/488429207.db2.gz QSZXSEXNKHHJFY-UHFFFAOYSA-N 2 1 351.495 0.370 20 0 FCADMP CC[NH+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000080233719 488434341 /nfs/dbraw/zinc/43/43/41/488434341.db2.gz WZBHOIGLFKZOMC-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000081315473 488441030 /nfs/dbraw/zinc/44/10/30/488441030.db2.gz IOGJKWHKIPKJGB-SFHVURJKSA-N 2 1 374.485 0.696 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000081315473 488441033 /nfs/dbraw/zinc/44/10/33/488441033.db2.gz IOGJKWHKIPKJGB-SFHVURJKSA-N 2 1 374.485 0.696 20 0 FCADMP C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085361823 488451446 /nfs/dbraw/zinc/45/14/46/488451446.db2.gz QDBVMAGBFSFJMQ-CQSZACIVSA-N 2 1 355.527 0.815 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000246347856 488472193 /nfs/dbraw/zinc/47/21/93/488472193.db2.gz FJFKLDAFIHBWGS-QZTJIDSGSA-N 2 1 370.538 0.689 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246495556 488473281 /nfs/dbraw/zinc/47/32/81/488473281.db2.gz WJAUDXXHPWIPRR-MJQMVNBJSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246495556 488473283 /nfs/dbraw/zinc/47/32/83/488473283.db2.gz WJAUDXXHPWIPRR-MJQMVNBJSA-N 2 1 370.538 0.735 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092924215 488477650 /nfs/dbraw/zinc/47/76/50/488477650.db2.gz YEWDALCPPKESDN-CYBMUJFWSA-N 2 1 356.434 0.163 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000093256704 488479224 /nfs/dbraw/zinc/47/92/24/488479224.db2.gz XFMZUTQMTRJAEQ-UHFFFAOYSA-N 2 1 354.539 0.831 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256431 488483281 /nfs/dbraw/zinc/48/32/81/488483281.db2.gz SLTVLRKYRSLZOU-DOTOQJQBSA-N 2 1 360.458 0.701 20 0 FCADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000097474495 488492563 /nfs/dbraw/zinc/49/25/63/488492563.db2.gz IRZWVYZZZUWIMG-UHFFFAOYSA-N 2 1 366.506 0.159 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000102049776 488497107 /nfs/dbraw/zinc/49/71/07/488497107.db2.gz PIOZWNRWZLCFEX-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000102049776 488497108 /nfs/dbraw/zinc/49/71/08/488497108.db2.gz PIOZWNRWZLCFEX-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000102049776 488497109 /nfs/dbraw/zinc/49/71/09/488497109.db2.gz PIOZWNRWZLCFEX-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649505 488500327 /nfs/dbraw/zinc/50/03/27/488500327.db2.gz LFJONWBYHWREFG-QZTJIDSGSA-N 2 1 373.501 0.559 20 0 FCADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649505 488500330 /nfs/dbraw/zinc/50/03/30/488500330.db2.gz LFJONWBYHWREFG-QZTJIDSGSA-N 2 1 373.501 0.559 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000103576701 488502563 /nfs/dbraw/zinc/50/25/63/488502563.db2.gz YIEVYTBCGQAKFD-QGZVFWFLSA-N 2 1 367.538 0.914 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000248894637 488504138 /nfs/dbraw/zinc/50/41/38/488504138.db2.gz YDCJTSBFHHTIEY-HUUCEWRRSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000248894637 488504139 /nfs/dbraw/zinc/50/41/39/488504139.db2.gz YDCJTSBFHHTIEY-HUUCEWRRSA-N 2 1 353.511 0.616 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C1CC1 ZINC000104801475 488505946 /nfs/dbraw/zinc/50/59/46/488505946.db2.gz VHERRXNULYQKSK-CQSZACIVSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000104806662 488505977 /nfs/dbraw/zinc/50/59/77/488505977.db2.gz RYGIBHKNGOUBDT-OAHLLOKOSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C1CC1 ZINC000105223198 488507939 /nfs/dbraw/zinc/50/79/39/488507939.db2.gz PFMWSRGGEPBAND-GDBMZVCRSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000105223198 488507942 /nfs/dbraw/zinc/50/79/42/488507942.db2.gz PFMWSRGGEPBAND-GDBMZVCRSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000105223198 488507943 /nfs/dbraw/zinc/50/79/43/488507943.db2.gz PFMWSRGGEPBAND-GDBMZVCRSA-N 2 1 353.511 0.711 20 0 FCADMP COc1cc(OC)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000261626423 488527791 /nfs/dbraw/zinc/52/77/91/488527791.db2.gz GVZNMXGCVDVJTB-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@@H](C)O1 ZINC000261695171 488531550 /nfs/dbraw/zinc/53/15/50/488531550.db2.gz DHTIZAFCVJDYNW-VQHPVUNQSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CC(=O)NC)CC1 ZINC000113406136 488538262 /nfs/dbraw/zinc/53/82/62/488538262.db2.gz KZQIAAFKFBYQFU-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000113406136 488538264 /nfs/dbraw/zinc/53/82/64/488538264.db2.gz KZQIAAFKFBYQFU-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261899230 488540460 /nfs/dbraw/zinc/54/04/60/488540460.db2.gz WIQPGOMXEZEAGN-DLBZAZTESA-N 2 1 360.458 0.829 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261899230 488540462 /nfs/dbraw/zinc/54/04/62/488540462.db2.gz WIQPGOMXEZEAGN-DLBZAZTESA-N 2 1 360.458 0.829 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NCC[NH+]1CCCCC1 ZINC000114581214 488540860 /nfs/dbraw/zinc/54/08/60/488540860.db2.gz KPEXHSITANPEAT-UHFFFAOYSA-N 2 1 355.527 0.162 20 0 FCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000114602553 488541868 /nfs/dbraw/zinc/54/18/68/488541868.db2.gz CTHMHNIHKCGPFK-GOSISDBHSA-N 2 1 367.538 0.256 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000115816792 488545897 /nfs/dbraw/zinc/54/58/97/488545897.db2.gz FAJDOKIZPSAGPY-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115816792 488545898 /nfs/dbraw/zinc/54/58/98/488545898.db2.gz FAJDOKIZPSAGPY-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115816792 488545900 /nfs/dbraw/zinc/54/59/00/488545900.db2.gz FAJDOKIZPSAGPY-DLBZAZTESA-N 2 1 367.538 0.912 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114170 488551464 /nfs/dbraw/zinc/55/14/64/488551464.db2.gz BFFIGBQUXZBWBV-HOCLYGCPSA-N 2 1 364.515 0.945 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCc1cccs1 ZINC000262114170 488551466 /nfs/dbraw/zinc/55/14/66/488551466.db2.gz BFFIGBQUXZBWBV-HOCLYGCPSA-N 2 1 364.515 0.945 20 0 FCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NCc1ccc(F)cc1 ZINC000262185922 488555981 /nfs/dbraw/zinc/55/59/81/488555981.db2.gz RGZFPMRKDGXWFI-UHFFFAOYSA-N 2 1 350.438 0.586 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120315431 488560703 /nfs/dbraw/zinc/56/07/03/488560703.db2.gz RUXHOUNTBYWPPR-MAUKXSAKSA-N 2 1 352.479 0.910 20 0 FCADMP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@@H](C)O1 ZINC000262274171 488560957 /nfs/dbraw/zinc/56/09/57/488560957.db2.gz YRGTUPPUHFRWSK-IAGOWNOFSA-N 2 1 352.523 0.630 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646555 488562354 /nfs/dbraw/zinc/56/23/54/488562354.db2.gz NVBPVBXDCHMXOA-IAGOWNOFSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262402515 488568518 /nfs/dbraw/zinc/56/85/18/488568518.db2.gz PQNRTHXEOVCAIR-CQSZACIVSA-N 2 1 359.536 0.780 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000262402515 488568519 /nfs/dbraw/zinc/56/85/19/488568519.db2.gz PQNRTHXEOVCAIR-CQSZACIVSA-N 2 1 359.536 0.780 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@H]3COCC[NH2+]3)CC2)oc1C ZINC000262424253 488569685 /nfs/dbraw/zinc/56/96/85/488569685.db2.gz SBMRGFTYHVDCAN-INIZCTEOSA-N 2 1 350.463 0.998 20 0 FCADMP COCC[NH2+]CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262632289 488583298 /nfs/dbraw/zinc/58/32/98/488583298.db2.gz FVOIBGUDVJMAQK-QGZVFWFLSA-N 2 1 362.474 0.236 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1(C)C ZINC000262803269 488594571 /nfs/dbraw/zinc/59/45/71/488594571.db2.gz RQYJLXJHVUKVHU-GPMSIDNRSA-N 2 1 354.539 0.909 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881848 488597839 /nfs/dbraw/zinc/59/78/39/488597839.db2.gz NOBKOCACKWUCBD-RHSMWYFYSA-N 2 1 351.447 0.758 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C2)cc(OC)c1 ZINC000262881848 488597840 /nfs/dbraw/zinc/59/78/40/488597840.db2.gz NOBKOCACKWUCBD-RHSMWYFYSA-N 2 1 351.447 0.758 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000557346367 491369124 /nfs/dbraw/zinc/36/91/24/491369124.db2.gz HVDMHRRAXXTDBE-KRWDZBQOSA-N 2 1 369.554 0.175 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000263226034 488606726 /nfs/dbraw/zinc/60/67/26/488606726.db2.gz GNGIDLXUPVBFQZ-JZXOWHBKSA-N 2 1 367.538 0.103 20 0 FCADMP Cc1cc(N2CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)nc(C)[nH+]1 ZINC000263232786 488606894 /nfs/dbraw/zinc/60/68/94/488606894.db2.gz INRFTNDGILXUNP-KRWDZBQOSA-N 2 1 362.478 0.278 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000128181117 488622608 /nfs/dbraw/zinc/62/26/08/488622608.db2.gz LGZWTAIZJGIFLQ-HOCLYGCPSA-N 2 1 357.462 0.900 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000129993891 488634957 /nfs/dbraw/zinc/63/49/57/488634957.db2.gz GQINWHCVFXKMMW-SFHVURJKSA-N 2 1 364.494 0.674 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130660769 488639407 /nfs/dbraw/zinc/63/94/07/488639407.db2.gz SEZHQXQRYVKCBM-HOTGVXAUSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554573291 491210345 /nfs/dbraw/zinc/21/03/45/491210345.db2.gz WWCNDDNNYMQIJW-DLBZAZTESA-N 2 1 355.527 0.111 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1 ZINC000134030188 488663759 /nfs/dbraw/zinc/66/37/59/488663759.db2.gz CUWLFURKIOKSHO-IAGOWNOFSA-N 2 1 370.563 0.335 20 0 FCADMP CC[NH+](C)CCNC(=O)Cc1ccc(CC(=O)NCC[N@H+](C)CC)cc1 ZINC000274106020 488683572 /nfs/dbraw/zinc/68/35/72/488683572.db2.gz YDGHODBRWONALQ-UHFFFAOYSA-N 2 1 362.518 0.907 20 0 FCADMP Cn1nccc1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274205960 488690422 /nfs/dbraw/zinc/69/04/22/488690422.db2.gz UJRMEYOHGQGUHM-UHFFFAOYSA-N 2 1 364.475 0.306 20 0 FCADMP COc1cccc([C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[NH+](C)C)c1 ZINC000264713902 488702043 /nfs/dbraw/zinc/70/20/43/488702043.db2.gz DZDJYBJGPWQBOZ-SJLPKXTDSA-N 2 1 363.506 0.843 20 0 FCADMP C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccccc1CN1CCOCC1 ZINC000266143519 488723859 /nfs/dbraw/zinc/72/38/59/488723859.db2.gz RIYSEBUNVUDVPM-KRWDZBQOSA-N 2 1 360.502 0.885 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NCC2(O)CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000266782078 488729593 /nfs/dbraw/zinc/72/95/93/488729593.db2.gz TWIDSRUCKQXWRZ-SFHVURJKSA-N 2 1 360.502 0.548 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154025834 488737610 /nfs/dbraw/zinc/73/76/10/488737610.db2.gz JYGVWMMSYWOXLU-HNNXBMFYSA-N 2 1 364.494 0.574 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000154161467 488739326 /nfs/dbraw/zinc/73/93/26/488739326.db2.gz AANXGUQBMAPBIZ-UHFFFAOYSA-N 2 1 356.511 0.585 20 0 FCADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125375 488762395 /nfs/dbraw/zinc/76/23/95/488762395.db2.gz OLSGNXIGYHTLFN-SJORKVTESA-N 2 1 360.506 0.835 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000267120980 488762996 /nfs/dbraw/zinc/76/29/96/488762996.db2.gz NXHXOIGVKXZSRC-SFHVURJKSA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000267120980 488762997 /nfs/dbraw/zinc/76/29/97/488762997.db2.gz NXHXOIGVKXZSRC-SFHVURJKSA-N 2 1 361.486 0.850 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000157379765 488771085 /nfs/dbraw/zinc/77/10/85/488771085.db2.gz APSMOZCHVUYQKY-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(=O)N1CCCCC1 ZINC000563149555 491221606 /nfs/dbraw/zinc/22/16/06/491221606.db2.gz CEWKPWHTGRZDJJ-DOTOQJQBSA-N 2 1 350.507 0.825 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000267319878 488777474 /nfs/dbraw/zinc/77/74/74/488777474.db2.gz NAUFUWBATFJDSZ-MRXNPFEDSA-N 2 1 361.490 0.357 20 0 FCADMP Cc1c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000164286763 488810144 /nfs/dbraw/zinc/81/01/44/488810144.db2.gz LBMVWLOCZQGXSM-OKILXGFUSA-N 2 1 364.494 0.740 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C[NH2+]CC2CC2)c1 ZINC000164869926 488810878 /nfs/dbraw/zinc/81/08/78/488810878.db2.gz XAUMHXKUDDELIG-UHFFFAOYSA-N 2 1 374.485 0.963 20 0 FCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1C[NH2+]CCO1 ZINC000166165589 488811666 /nfs/dbraw/zinc/81/16/66/488811666.db2.gz CRUJSOJRZVQGJM-GOSISDBHSA-N 2 1 358.442 0.900 20 0 FCADMP O=C(NCCN1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903020 488828156 /nfs/dbraw/zinc/82/81/56/488828156.db2.gz TXSUOUGWBCYTCV-MRXNPFEDSA-N 2 1 359.478 0.088 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000172545458 488835224 /nfs/dbraw/zinc/83/52/24/488835224.db2.gz DEDYSVVAEVWLMO-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172545458 488835226 /nfs/dbraw/zinc/83/52/26/488835226.db2.gz DEDYSVVAEVWLMO-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000173487786 488843202 /nfs/dbraw/zinc/84/32/02/488843202.db2.gz OVWUNKLGBUVSPI-MSOLQXFVSA-N 2 1 369.554 0.526 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000174500064 488849512 /nfs/dbraw/zinc/84/95/12/488849512.db2.gz PXERICONMHBQNW-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000176622058 488858655 /nfs/dbraw/zinc/85/86/55/488858655.db2.gz LMNNUCTZBYCDQW-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181057813 488862980 /nfs/dbraw/zinc/86/29/80/488862980.db2.gz SBNVPGNDIZMODJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000181057813 488862981 /nfs/dbraw/zinc/86/29/81/488862981.db2.gz SBNVPGNDIZMODJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000181057813 488862982 /nfs/dbraw/zinc/86/29/82/488862982.db2.gz SBNVPGNDIZMODJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181057813 488862983 /nfs/dbraw/zinc/86/29/83/488862983.db2.gz SBNVPGNDIZMODJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181057813 488862984 /nfs/dbraw/zinc/86/29/84/488862984.db2.gz SBNVPGNDIZMODJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181101276 488862994 /nfs/dbraw/zinc/86/29/94/488862994.db2.gz LRGURPWLHDSERT-QLFBSQMISA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000181101276 488862995 /nfs/dbraw/zinc/86/29/95/488862995.db2.gz LRGURPWLHDSERT-QLFBSQMISA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000181101276 488862996 /nfs/dbraw/zinc/86/29/96/488862996.db2.gz LRGURPWLHDSERT-QLFBSQMISA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000181101276 488862998 /nfs/dbraw/zinc/86/29/98/488862998.db2.gz LRGURPWLHDSERT-QLFBSQMISA-N 2 1 352.479 0.890 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000279972988 488977844 /nfs/dbraw/zinc/97/78/44/488977844.db2.gz YDHRFUZYDKXJSB-CYBMUJFWSA-N 2 1 353.492 0.317 20 0 FCADMP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000329277136 488988808 /nfs/dbraw/zinc/98/88/08/488988808.db2.gz JEDPBRPIVQUMGH-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389220 488999810 /nfs/dbraw/zinc/99/98/10/488999810.db2.gz UJCHWUDEZNBRRY-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389220 488999813 /nfs/dbraw/zinc/99/98/13/488999813.db2.gz UJCHWUDEZNBRRY-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C ZINC000329389220 488999817 /nfs/dbraw/zinc/99/98/17/488999817.db2.gz UJCHWUDEZNBRRY-UONOGXRCSA-N 2 1 362.478 0.238 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3COc4ccccc4[C@H]3O)cn2)CC1 ZINC000288666801 489002751 /nfs/dbraw/zinc/00/27/51/489002751.db2.gz WDHHQMNNDUHPPY-FUHWJXTLSA-N 2 1 355.442 0.813 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000329722500 489030543 /nfs/dbraw/zinc/03/05/43/489030543.db2.gz NKZGCRLMEIPGOC-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000329722500 489030547 /nfs/dbraw/zinc/03/05/47/489030547.db2.gz NKZGCRLMEIPGOC-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP O=C(CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000280815575 489033309 /nfs/dbraw/zinc/03/33/09/489033309.db2.gz MQTQPEJEXUAQKR-NQIIRXRSSA-N 2 1 370.497 0.837 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280828698 489033968 /nfs/dbraw/zinc/03/39/68/489033968.db2.gz VSUJYWCIOKEBOC-MDYRTPRTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000280828698 489033970 /nfs/dbraw/zinc/03/39/70/489033970.db2.gz VSUJYWCIOKEBOC-MDYRTPRTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000280828698 489033972 /nfs/dbraw/zinc/03/39/72/489033972.db2.gz VSUJYWCIOKEBOC-MDYRTPRTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1C1CC1 ZINC000289036033 489037776 /nfs/dbraw/zinc/03/77/76/489037776.db2.gz WHMNWSKZZKNFLV-CABCVRRESA-N 2 1 362.474 0.911 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccn3ccnc3c2)CCCO1 ZINC000289254592 489053211 /nfs/dbraw/zinc/05/32/11/489053211.db2.gz QHMYDZHIALBJKI-HNNXBMFYSA-N 2 1 373.457 0.568 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570283048 491230384 /nfs/dbraw/zinc/23/03/84/491230384.db2.gz KFHXBNIHFWRYJW-INIZCTEOSA-N 2 1 363.510 0.178 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CCOCC1 ZINC000365327478 489064146 /nfs/dbraw/zinc/06/41/46/489064146.db2.gz OUEAZKVJEKXLGQ-RCCFBDPRSA-N 2 1 367.538 0.517 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000554911747 491231859 /nfs/dbraw/zinc/23/18/59/491231859.db2.gz IZURDYGOHJPFAW-MRXNPFEDSA-N 3 1 369.554 0.175 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000365695683 489101308 /nfs/dbraw/zinc/10/13/08/489101308.db2.gz KPPWOXSGYLVEQB-SFHVURJKSA-N 2 1 365.474 0.973 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000290218487 489122035 /nfs/dbraw/zinc/12/20/35/489122035.db2.gz SUWVVJOJLBJAHV-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000365976754 489131254 /nfs/dbraw/zinc/13/12/54/489131254.db2.gz DVBBWBJVKQKDQA-RTBURBONSA-N 2 1 361.486 0.979 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000290401964 489136570 /nfs/dbraw/zinc/13/65/70/489136570.db2.gz IRWJBWHFEUIGOG-WBVHZDCISA-N 2 1 371.485 0.910 20 0 FCADMP O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000290401964 489136574 /nfs/dbraw/zinc/13/65/74/489136574.db2.gz IRWJBWHFEUIGOG-WBVHZDCISA-N 2 1 371.485 0.910 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000366242773 489162132 /nfs/dbraw/zinc/16/21/32/489162132.db2.gz CADJHMLISAAPJB-SJORKVTESA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366242773 489162137 /nfs/dbraw/zinc/16/21/37/489162137.db2.gz CADJHMLISAAPJB-SJORKVTESA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000331376171 489203228 /nfs/dbraw/zinc/20/32/28/489203228.db2.gz DWMCPTNSLOAXNV-XUWVNRHRSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000331376171 489203229 /nfs/dbraw/zinc/20/32/29/489203229.db2.gz DWMCPTNSLOAXNV-XUWVNRHRSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000331404166 489207141 /nfs/dbraw/zinc/20/71/41/489207141.db2.gz PVIHYPOQNCYIMY-QZWWFDLISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000331404166 489207144 /nfs/dbraw/zinc/20/71/44/489207144.db2.gz PVIHYPOQNCYIMY-QZWWFDLISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331404166 489207146 /nfs/dbraw/zinc/20/71/46/489207146.db2.gz PVIHYPOQNCYIMY-QZWWFDLISA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000297604517 489213371 /nfs/dbraw/zinc/21/33/71/489213371.db2.gz BSBZEEFCPZCPOE-MRXNPFEDSA-N 2 1 364.490 0.970 20 0 FCADMP CCN1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000297620855 489214805 /nfs/dbraw/zinc/21/48/05/489214805.db2.gz VXCDVKXGYWMKDA-UHFFFAOYSA-N 2 1 350.463 0.724 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000332561105 489219937 /nfs/dbraw/zinc/21/99/37/489219937.db2.gz RIYJCOXJYTUQGG-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000332782723 489229780 /nfs/dbraw/zinc/22/97/80/489229780.db2.gz ZJUMZUKYPNCOID-BPQIPLTHSA-N 2 1 352.523 0.506 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)NCCC[NH+]3CCOCC3)n2)CC1 ZINC000369654537 489260502 /nfs/dbraw/zinc/26/05/02/489260502.db2.gz MBJZHXKPWQZBTD-UHFFFAOYSA-N 2 1 350.467 0.994 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501424 489267215 /nfs/dbraw/zinc/26/72/15/489267215.db2.gz PPORNQPCPUQHQT-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501424 489267218 /nfs/dbraw/zinc/26/72/18/489267218.db2.gz PPORNQPCPUQHQT-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000283501424 489267221 /nfs/dbraw/zinc/26/72/21/489267221.db2.gz PPORNQPCPUQHQT-GUDVDZBRSA-N 2 1 370.497 0.930 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540517 489272531 /nfs/dbraw/zinc/27/25/31/489272531.db2.gz RSIUZZUDNFEEDV-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283540517 489272535 /nfs/dbraw/zinc/27/25/35/489272535.db2.gz RSIUZZUDNFEEDV-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283540517 489272539 /nfs/dbraw/zinc/27/25/39/489272539.db2.gz RSIUZZUDNFEEDV-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP NC(=O)NC(=O)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286001622 489344201 /nfs/dbraw/zinc/34/42/01/489344201.db2.gz OVVZHQXVIDCGNH-SFHVURJKSA-N 2 1 373.501 0.854 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000361729720 489363832 /nfs/dbraw/zinc/36/38/32/489363832.db2.gz UIYZXEUBMUHCCU-NVXWUHKLSA-N 2 1 359.474 0.360 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000361729720 489363833 /nfs/dbraw/zinc/36/38/33/489363833.db2.gz UIYZXEUBMUHCCU-NVXWUHKLSA-N 2 1 359.474 0.360 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000370516802 489369472 /nfs/dbraw/zinc/36/94/72/489369472.db2.gz CEJPYQQZSYSKRY-GOSISDBHSA-N 2 1 353.507 0.935 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000362257356 489380565 /nfs/dbraw/zinc/38/05/65/489380565.db2.gz NZTWYQIPTRJEAM-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000362257356 489380567 /nfs/dbraw/zinc/38/05/67/489380567.db2.gz NZTWYQIPTRJEAM-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000362257356 489380568 /nfs/dbraw/zinc/38/05/68/489380568.db2.gz NZTWYQIPTRJEAM-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000362257356 489380570 /nfs/dbraw/zinc/38/05/70/489380570.db2.gz NZTWYQIPTRJEAM-ARFHVFGLSA-N 2 1 352.479 0.892 20 0 FCADMP CC(C)n1cc([C@]2(O)CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000370641637 489385114 /nfs/dbraw/zinc/38/51/14/489385114.db2.gz DVGSMIUDDWKFIK-SFHVURJKSA-N 2 1 364.494 0.307 20 0 FCADMP CC(C)n1cc([C@]2(O)CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000370641637 489385116 /nfs/dbraw/zinc/38/51/16/489385116.db2.gz DVGSMIUDDWKFIK-SFHVURJKSA-N 2 1 364.494 0.307 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688375 489392494 /nfs/dbraw/zinc/39/24/94/489392494.db2.gz MDZGDYLLPVFRBI-PXNSSMCTSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688375 489392497 /nfs/dbraw/zinc/39/24/97/489392497.db2.gz MDZGDYLLPVFRBI-PXNSSMCTSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CCO1 ZINC000362688375 489392499 /nfs/dbraw/zinc/39/24/99/489392499.db2.gz MDZGDYLLPVFRBI-PXNSSMCTSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CCO1 ZINC000362688375 489392502 /nfs/dbraw/zinc/39/25/02/489392502.db2.gz MDZGDYLLPVFRBI-PXNSSMCTSA-N 2 1 372.513 0.913 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362705195 489393564 /nfs/dbraw/zinc/39/35/64/489393564.db2.gz WRNZURPBTRMBDB-FQEVSTJZSA-N 2 1 371.529 0.705 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000370735792 489394982 /nfs/dbraw/zinc/39/49/82/489394982.db2.gz ZQSDLFIIGYBBPL-DJIMGWMZSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000370735792 489394986 /nfs/dbraw/zinc/39/49/86/489394986.db2.gz ZQSDLFIIGYBBPL-DJIMGWMZSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000370735792 489394987 /nfs/dbraw/zinc/39/49/87/489394987.db2.gz ZQSDLFIIGYBBPL-DJIMGWMZSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000570616932 491253326 /nfs/dbraw/zinc/25/33/26/491253326.db2.gz ZDLWKCHOTAHATJ-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000570616932 491253328 /nfs/dbraw/zinc/25/33/28/491253328.db2.gz ZDLWKCHOTAHATJ-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000570616932 491253329 /nfs/dbraw/zinc/25/33/29/491253329.db2.gz ZDLWKCHOTAHATJ-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@@H+](C[C@H](O)CNCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253906 /nfs/dbraw/zinc/25/39/06/491253906.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253909 /nfs/dbraw/zinc/25/39/09/491253909.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253911 /nfs/dbraw/zinc/25/39/11/491253911.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 2 1 374.529 0.929 20 0 FCADMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(=O)N1CCOCC1 ZINC000299254052 489424444 /nfs/dbraw/zinc/42/44/44/489424444.db2.gz FBUDARDTTGOQPM-UHFFFAOYSA-N 2 1 365.474 0.974 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000570683431 491257571 /nfs/dbraw/zinc/25/75/71/491257571.db2.gz PXHKIFDWZQQMJR-KDURUIRLSA-N 3 1 372.513 0.881 20 0 FCADMP COc1ccc(CN2CCCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000570683431 491257574 /nfs/dbraw/zinc/25/75/74/491257574.db2.gz PXHKIFDWZQQMJR-KDURUIRLSA-N 3 1 372.513 0.881 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183137 489434991 /nfs/dbraw/zinc/43/49/91/489434991.db2.gz OHRZHFBACJNJLA-QZTJIDSGSA-N 2 1 366.506 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063924 489447362 /nfs/dbraw/zinc/44/73/62/489447362.db2.gz NDTXIPDVSMSRRJ-IAGOWNOFSA-N 2 1 352.479 0.356 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCNS(C)(=O)=O)CC2)CC1 ZINC000371158157 489458250 /nfs/dbraw/zinc/45/82/50/489458250.db2.gz QQDDNLDNGNHHBP-UHFFFAOYSA-N 2 1 360.568 0.664 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1C ZINC000287164235 489466805 /nfs/dbraw/zinc/46/68/05/489466805.db2.gz ZCHQYTRFASWRHK-HIFRSBDPSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1C ZINC000287164235 489466807 /nfs/dbraw/zinc/46/68/07/489466807.db2.gz ZCHQYTRFASWRHK-HIFRSBDPSA-N 2 1 362.478 0.045 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)CC1 ZINC000363572324 489480442 /nfs/dbraw/zinc/48/04/42/489480442.db2.gz CTSCLEVYXYCKSQ-KSSFIOAISA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000423117683 489494822 /nfs/dbraw/zinc/49/48/22/489494822.db2.gz WSCHOEHNPPHUBQ-GDBMZVCRSA-N 2 1 364.515 0.631 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162990 489498086 /nfs/dbraw/zinc/49/80/86/489498086.db2.gz LZXRPDOBPXPPDD-IAGOWNOFSA-N 2 1 359.474 0.454 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423171162 489499547 /nfs/dbraw/zinc/49/95/47/489499547.db2.gz ZNVIWNFFYCIDDJ-SJLPKXTDSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423218411 489503889 /nfs/dbraw/zinc/50/38/89/489503889.db2.gz VLGQAFKFCUUVEJ-CALCHBBNSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423217986 489504238 /nfs/dbraw/zinc/50/42/38/489504238.db2.gz TVZUZAQJXKWCME-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000423231497 489505632 /nfs/dbraw/zinc/50/56/32/489505632.db2.gz LJEPSXQLVMGLQT-SFHVURJKSA-N 2 1 358.486 0.713 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415378532 489516527 /nfs/dbraw/zinc/51/65/27/489516527.db2.gz PUDNRXCGVYWVDD-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415517947 489526680 /nfs/dbraw/zinc/52/66/80/489526680.db2.gz IDVBRKQZNJWNQN-RDJZCZTQSA-N 2 1 374.485 0.696 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843528 489533285 /nfs/dbraw/zinc/53/32/85/489533285.db2.gz JIFUIQVVDHRCDS-GJZGRUSLSA-N 2 1 367.494 0.191 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882445 489539338 /nfs/dbraw/zinc/53/93/38/489539338.db2.gz DRKKHESCUXAKQA-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882445 489539346 /nfs/dbraw/zinc/53/93/46/489539346.db2.gz DRKKHESCUXAKQA-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425881620 489539383 /nfs/dbraw/zinc/53/93/83/489539383.db2.gz CWBCTEKLLURZOQ-HOCLYGCPSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425881620 489539389 /nfs/dbraw/zinc/53/93/89/489539389.db2.gz CWBCTEKLLURZOQ-HOCLYGCPSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882441 489539695 /nfs/dbraw/zinc/53/96/95/489539695.db2.gz DRKKHESCUXAKQA-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425882441 489539702 /nfs/dbraw/zinc/53/97/02/489539702.db2.gz DRKKHESCUXAKQA-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415660983 489540055 /nfs/dbraw/zinc/54/00/55/489540055.db2.gz UDFVUALWJTZAON-OAHLLOKOSA-N 2 1 362.474 0.614 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415685879 489541150 /nfs/dbraw/zinc/54/11/50/489541150.db2.gz GZBSEDWLFCSEQP-FQEVSTJZSA-N 2 1 374.485 0.697 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000563667406 491261749 /nfs/dbraw/zinc/26/17/49/491261749.db2.gz RSNKYVNADBTETG-OAHLLOKOSA-N 2 1 356.492 0.987 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426108340 489555193 /nfs/dbraw/zinc/55/51/93/489555193.db2.gz HNOYVGKXFYEQNR-LBPRGKRZSA-N 2 1 364.412 0.587 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415955304 489566137 /nfs/dbraw/zinc/56/61/37/489566137.db2.gz PVWIHUOMOUYCKX-UHFFFAOYSA-N 2 1 358.450 0.993 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000416054953 489568519 /nfs/dbraw/zinc/56/85/19/489568519.db2.gz XERPFGIUBGYSPU-CABCVRRESA-N 2 1 374.407 0.985 20 0 FCADMP Cc1cccc([C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)N2CCOCC2)c1 ZINC000372312363 489569334 /nfs/dbraw/zinc/56/93/34/489569334.db2.gz WFIXUFFERHHICF-WOJBJXKFSA-N 2 1 372.513 0.874 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454641941 489574471 /nfs/dbraw/zinc/57/44/71/489574471.db2.gz FPDGUYHMHMRZRA-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454641941 489574472 /nfs/dbraw/zinc/57/44/72/489574472.db2.gz FPDGUYHMHMRZRA-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454641941 489574475 /nfs/dbraw/zinc/57/44/75/489574475.db2.gz FPDGUYHMHMRZRA-HRCADAONSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788561 491264249 /nfs/dbraw/zinc/26/42/49/491264249.db2.gz FXOFZMQYACZHON-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786006 491264570 /nfs/dbraw/zinc/26/45/70/491264570.db2.gz REYOBOXEXUUJON-ZIAGYGMSSA-N 2 1 365.444 0.947 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000454999335 489584590 /nfs/dbraw/zinc/58/45/90/489584590.db2.gz LXQVUCPQZFPWBN-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000455663961 489598289 /nfs/dbraw/zinc/59/82/89/489598289.db2.gz YQQLCBQUVUOBLR-CQSZACIVSA-N 2 1 352.483 0.754 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000427273671 489600414 /nfs/dbraw/zinc/60/04/14/489600414.db2.gz JLZMYAMKVLJIBT-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000416817091 489630853 /nfs/dbraw/zinc/63/08/53/489630853.db2.gz PTYPMCYEZCALLL-ZIAGYGMSSA-N 2 1 351.451 0.379 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416831352 489631476 /nfs/dbraw/zinc/63/14/76/489631476.db2.gz BBRGEVSVELNMRQ-ROUUACIJSA-N 2 1 373.501 0.757 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038371 489634022 /nfs/dbraw/zinc/63/40/22/489634022.db2.gz YBPFHQHMYSOYEM-YOEHRIQHSA-N 2 1 353.488 1.000 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038371 489634026 /nfs/dbraw/zinc/63/40/26/489634026.db2.gz YBPFHQHMYSOYEM-YOEHRIQHSA-N 2 1 353.488 1.000 20 0 FCADMP COC[C@@]1(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000416957876 489636203 /nfs/dbraw/zinc/63/62/03/489636203.db2.gz OKSBEKJBZSRSDP-AEFFLSMTSA-N 2 1 355.527 0.326 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C(F)F ZINC000416959017 489636279 /nfs/dbraw/zinc/63/62/79/489636279.db2.gz UUOQNWDWKRNMEK-CYBMUJFWSA-N 2 1 371.436 0.270 20 0 FCADMP C[C@H]1[NH2+]CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H]1C ZINC000416960426 489636844 /nfs/dbraw/zinc/63/68/44/489636844.db2.gz NZNGVPNJTZBDJZ-CVEARBPZSA-N 2 1 361.494 0.381 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000416995138 489638215 /nfs/dbraw/zinc/63/82/15/489638215.db2.gz KUAHUBSYSBGSRB-UHFFFAOYSA-N 2 1 353.511 0.701 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCC[C@@H](C)C1 ZINC000417027554 489639208 /nfs/dbraw/zinc/63/92/08/489639208.db2.gz ZXXZIHRLJFYTSW-OAGGEKHMSA-N 2 1 353.511 0.603 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417050693 489639853 /nfs/dbraw/zinc/63/98/53/489639853.db2.gz LBNPLLXMCORVKF-HOCLYGCPSA-N 2 1 353.511 0.888 20 0 FCADMP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049018 489640106 /nfs/dbraw/zinc/64/01/06/489640106.db2.gz YJURTJNKALZUKZ-WMZOPIPTSA-N 2 1 361.490 0.566 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417140741 489643301 /nfs/dbraw/zinc/64/33/01/489643301.db2.gz QMKIJEYKWBLZQU-ARFHVFGLSA-N 2 1 351.495 0.642 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000555730133 491268480 /nfs/dbraw/zinc/26/84/80/491268480.db2.gz KYSOSDJYAWEQFB-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000555730133 491268481 /nfs/dbraw/zinc/26/84/81/491268481.db2.gz KYSOSDJYAWEQFB-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000555730133 491268482 /nfs/dbraw/zinc/26/84/82/491268482.db2.gz KYSOSDJYAWEQFB-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515859 489647907 /nfs/dbraw/zinc/64/79/07/489647907.db2.gz NLLUCSDJRJNJFI-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000457515859 489647909 /nfs/dbraw/zinc/64/79/09/489647909.db2.gz NLLUCSDJRJNJFI-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000457515859 489647912 /nfs/dbraw/zinc/64/79/12/489647912.db2.gz NLLUCSDJRJNJFI-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417378732 489650628 /nfs/dbraw/zinc/65/06/28/489650628.db2.gz FLONJCJIWGZKDB-ZWKOTPCHSA-N 2 1 372.517 0.845 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600170 489650762 /nfs/dbraw/zinc/65/07/62/489650762.db2.gz MQFITHAQYHPZEG-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600170 489650764 /nfs/dbraw/zinc/65/07/64/489650764.db2.gz MQFITHAQYHPZEG-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417429041 489652349 /nfs/dbraw/zinc/65/23/49/489652349.db2.gz MPDJOKRUNDFJAC-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP CC[N@@H+](CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417428406 489652541 /nfs/dbraw/zinc/65/25/41/489652541.db2.gz KXLZTMVLEQUJHO-ZDUSSCGKSA-N 2 1 351.417 0.606 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417433074 489653252 /nfs/dbraw/zinc/65/32/52/489653252.db2.gz UWSUKCIHBPNQGV-QAETUUGQSA-N 2 1 365.522 0.698 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417436227 489653617 /nfs/dbraw/zinc/65/36/17/489653617.db2.gz ZNDKBLUWZNFWHD-YJBOKZPZSA-N 2 1 353.511 0.618 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511061 489656878 /nfs/dbraw/zinc/65/68/78/489656878.db2.gz YDWWEYHASKFFJY-LJQANCHMSA-N 2 1 359.518 0.755 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3CCC[NH2+]3)c2)C1 ZINC000417544386 489657815 /nfs/dbraw/zinc/65/78/15/489657815.db2.gz HMINVMVVRBUTGK-ZWKOTPCHSA-N 2 1 373.501 0.935 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417548608 489658008 /nfs/dbraw/zinc/65/80/08/489658008.db2.gz RCPODZONOXUCDZ-IRXDYDNUSA-N 2 1 361.490 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417579601 489658826 /nfs/dbraw/zinc/65/88/26/489658826.db2.gz BAODMCFSAVIWJG-JZXOWHBKSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417582425 489659174 /nfs/dbraw/zinc/65/91/74/489659174.db2.gz IAUWCVFCIGADGA-JKSUJKDBSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417741148 489663370 /nfs/dbraw/zinc/66/33/70/489663370.db2.gz IMYFCULUSNISKY-IKGGRYGDSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417740570 489663375 /nfs/dbraw/zinc/66/33/75/489663375.db2.gz ZXQVJQQXYCLWDT-FUHWJXTLSA-N 2 1 361.490 0.566 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000417761484 489664635 /nfs/dbraw/zinc/66/46/35/489664635.db2.gz ZFAUYZSTGIIGFF-AGIUHOORSA-N 2 1 351.417 0.604 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000417871370 489669068 /nfs/dbraw/zinc/66/90/68/489669068.db2.gz ZUCCMDOWSSXXFS-OAHLLOKOSA-N 2 1 366.462 0.241 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000417871370 489669070 /nfs/dbraw/zinc/66/90/70/489669070.db2.gz ZUCCMDOWSSXXFS-OAHLLOKOSA-N 2 1 366.462 0.241 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417896893 489670052 /nfs/dbraw/zinc/67/00/52/489670052.db2.gz WFZULCDLYAZMSJ-SJORKVTESA-N 2 1 367.538 0.993 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458193291 489673709 /nfs/dbraw/zinc/67/37/09/489673709.db2.gz FPGCPXRHDCMVGD-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458193291 489673712 /nfs/dbraw/zinc/67/37/12/489673712.db2.gz FPGCPXRHDCMVGD-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458193291 489673715 /nfs/dbraw/zinc/67/37/15/489673715.db2.gz FPGCPXRHDCMVGD-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[N@H+](C)C1CC1 ZINC000458301762 489676627 /nfs/dbraw/zinc/67/66/27/489676627.db2.gz YGNFMYXLCRVREX-HNNXBMFYSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[N@@H+](C)C1CC1 ZINC000458301762 489676629 /nfs/dbraw/zinc/67/66/29/489676629.db2.gz YGNFMYXLCRVREX-HNNXBMFYSA-N 2 1 354.495 0.650 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)CCC(F)(F)F ZINC000418077905 489677724 /nfs/dbraw/zinc/67/77/24/489677724.db2.gz MVKIOPPOYOGFNY-CQSZACIVSA-N 2 1 365.444 0.950 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)CCC(F)(F)F ZINC000418077316 489678104 /nfs/dbraw/zinc/67/81/04/489678104.db2.gz LNIQISPAXAVAOG-AWEZNQCLSA-N 2 1 365.444 0.950 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458407336 489681266 /nfs/dbraw/zinc/68/12/66/489681266.db2.gz CXONAICMKDYUQO-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000418172949 489682483 /nfs/dbraw/zinc/68/24/83/489682483.db2.gz BMAPYGXUVFMDFW-AKBNIOSXSA-N 2 1 365.522 0.839 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426998 489683002 /nfs/dbraw/zinc/68/30/02/489683002.db2.gz NQXHOUWODYWLCF-JKSUJKDBSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426998 489683006 /nfs/dbraw/zinc/68/30/06/489683006.db2.gz NQXHOUWODYWLCF-JKSUJKDBSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426998 489683007 /nfs/dbraw/zinc/68/30/07/489683007.db2.gz NQXHOUWODYWLCF-JKSUJKDBSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418186954 489683762 /nfs/dbraw/zinc/68/37/62/489683762.db2.gz UUWMGAKRBOIILV-UCHQMPSGSA-N 2 1 365.522 0.981 20 0 FCADMP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823305 491271263 /nfs/dbraw/zinc/27/12/63/491271263.db2.gz YOLVFAWBMSXNQS-XOSAIJSUSA-N 2 1 363.506 0.593 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297072 489689259 /nfs/dbraw/zinc/68/92/59/489689259.db2.gz KGOPLOCFQGPIIK-UHFFFAOYSA-N 2 1 374.533 0.355 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418450023 489698846 /nfs/dbraw/zinc/69/88/46/489698846.db2.gz UDFQLPZEKLJRKU-INIZCTEOSA-N 2 1 355.527 0.946 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418450023 489698851 /nfs/dbraw/zinc/69/88/51/489698851.db2.gz UDFQLPZEKLJRKU-INIZCTEOSA-N 2 1 355.527 0.946 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(C)c1C ZINC000489242873 489702845 /nfs/dbraw/zinc/70/28/45/489702845.db2.gz UIBKSGWNHXSECO-OAHLLOKOSA-N 2 1 357.524 0.765 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836200 491272452 /nfs/dbraw/zinc/27/24/52/491272452.db2.gz NDUVYELWSUEIQR-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000563849109 491272780 /nfs/dbraw/zinc/27/27/80/491272780.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 2 1 371.533 0.816 20 0 FCADMP Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(NC[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000563849109 491272782 /nfs/dbraw/zinc/27/27/82/491272782.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 1 371.533 0.816 20 0 FCADMP Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(NC[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000563849109 491272785 /nfs/dbraw/zinc/27/27/85/491272785.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 1 371.533 0.816 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609335 489709819 /nfs/dbraw/zinc/70/98/19/489709819.db2.gz FHGSIMYPZJSFKB-RDBSUJKOSA-N 2 1 365.444 0.804 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627340 489712844 /nfs/dbraw/zinc/71/28/44/489712844.db2.gz AVZIZKZUFHASBD-IEBWSBKVSA-N 3 1 369.554 0.813 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000563864017 491273586 /nfs/dbraw/zinc/27/35/86/491273586.db2.gz FRFVMSXJDZWAPH-BRWVUGGUSA-N 2 1 358.442 0.804 20 0 FCADMP CCC[C@H]1CN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418660018 489716753 /nfs/dbraw/zinc/71/67/53/489716753.db2.gz WRLFDAXVVRCHGB-WMZOPIPTSA-N 2 1 356.511 0.897 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132437 489719277 /nfs/dbraw/zinc/71/92/77/489719277.db2.gz IOEYTCHPHMFSDW-MAUKXSAKSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000489608274 489720125 /nfs/dbraw/zinc/72/01/25/489720125.db2.gz UCNITYCHGFRXJH-HRCADAONSA-N 2 1 353.511 0.746 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459215107 489723149 /nfs/dbraw/zinc/72/31/49/489723149.db2.gz RLSXYAHHKIMSLN-UHFFFAOYSA-N 2 1 356.511 0.851 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459214134 489723495 /nfs/dbraw/zinc/72/34/95/489723495.db2.gz QCLHDDJXOQQTBF-UHFFFAOYSA-N 2 1 354.495 0.603 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459214134 489723498 /nfs/dbraw/zinc/72/34/98/489723498.db2.gz QCLHDDJXOQQTBF-UHFFFAOYSA-N 2 1 354.495 0.603 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459277769 489725486 /nfs/dbraw/zinc/72/54/86/489725486.db2.gz AYUCNSPURMVFCB-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000459277769 489725488 /nfs/dbraw/zinc/72/54/88/489725488.db2.gz AYUCNSPURMVFCB-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000459277769 489725490 /nfs/dbraw/zinc/72/54/90/489725490.db2.gz AYUCNSPURMVFCB-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459277769 489725492 /nfs/dbraw/zinc/72/54/92/489725492.db2.gz AYUCNSPURMVFCB-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459277769 489725495 /nfs/dbraw/zinc/72/54/95/489725495.db2.gz AYUCNSPURMVFCB-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418794666 489728555 /nfs/dbraw/zinc/72/85/55/489728555.db2.gz RKXUVMUFCNHHGI-HKUYNNGSSA-N 2 1 362.474 0.301 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000489802080 489728878 /nfs/dbraw/zinc/72/88/78/489728878.db2.gz QLLVAHIHTRLXIZ-MRXNPFEDSA-N 2 1 367.538 0.249 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000489802080 489728881 /nfs/dbraw/zinc/72/88/81/489728881.db2.gz QLLVAHIHTRLXIZ-MRXNPFEDSA-N 2 1 367.538 0.249 20 0 FCADMP C[C@@H]1NC(=O)N(CC[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000459467808 489733694 /nfs/dbraw/zinc/73/36/94/489733694.db2.gz QJIXYEOGXUBEFA-KRWDZBQOSA-N 2 1 373.501 0.676 20 0 FCADMP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485756 489734359 /nfs/dbraw/zinc/73/43/59/489734359.db2.gz UADYTACUYIVBKU-BZSNNMDCSA-N 2 1 354.539 0.874 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822518 489739149 /nfs/dbraw/zinc/73/91/49/489739149.db2.gz ASHASJGPHFULCL-OAHLLOKOSA-N 2 1 354.495 0.237 20 0 FCADMP CON1CCC([NH+](C)CC2(C[N@H+](C)C3CCN(OC)CC3)COC2)CC1 ZINC000459581655 489739722 /nfs/dbraw/zinc/73/97/22/489739722.db2.gz PFGUPYUELRYHIZ-UHFFFAOYSA-N 2 1 370.538 0.918 20 0 FCADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)C[NH3+] ZINC000430551839 489745939 /nfs/dbraw/zinc/74/59/39/489745939.db2.gz JEYIPHMVKXFPCU-UHFFFAOYSA-N 2 1 370.519 0.300 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562835 489746157 /nfs/dbraw/zinc/74/61/57/489746157.db2.gz GPCPEXLMBUUMLI-HZPDHXFCSA-N 2 1 367.538 0.105 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562835 489746159 /nfs/dbraw/zinc/74/61/59/489746159.db2.gz GPCPEXLMBUUMLI-HZPDHXFCSA-N 2 1 367.538 0.105 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000430553446 489746226 /nfs/dbraw/zinc/74/62/26/489746226.db2.gz OUVWKLVCCZSCDK-LJQANCHMSA-N 2 1 366.550 0.923 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570370 489746974 /nfs/dbraw/zinc/74/69/74/489746974.db2.gz GKSXBAVEAGEVNX-GJZGRUSLSA-N 2 1 362.540 0.222 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)S(C)(=O)=O ZINC000430570370 489746977 /nfs/dbraw/zinc/74/69/77/489746977.db2.gz GKSXBAVEAGEVNX-GJZGRUSLSA-N 2 1 362.540 0.222 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430572539 489747312 /nfs/dbraw/zinc/74/73/12/489747312.db2.gz OOHLXWYSJANOCH-UHFFFAOYSA-N 2 1 370.475 0.102 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418838137 489748682 /nfs/dbraw/zinc/74/86/82/489748682.db2.gz BQRVPRFTFWTJLS-SFHVURJKSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430598301 489750363 /nfs/dbraw/zinc/75/03/63/489750363.db2.gz CHJIAMDKZBPAPH-GOEBONIOSA-N 2 1 360.458 0.413 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600336 489750770 /nfs/dbraw/zinc/75/07/70/489750770.db2.gz HNOBMPAZSJFCID-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600339 489750866 /nfs/dbraw/zinc/75/08/66/489750866.db2.gz HNOBMPAZSJFCID-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600325 489751054 /nfs/dbraw/zinc/75/10/54/489751054.db2.gz HLVXVYYIGDZFCE-UKRRQHHQSA-N 2 1 364.515 0.808 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000430610307 489751671 /nfs/dbraw/zinc/75/16/71/489751671.db2.gz KHBGYBQVLPFKDA-AWEZNQCLSA-N 2 1 371.478 0.776 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000430610307 489751674 /nfs/dbraw/zinc/75/16/74/489751674.db2.gz KHBGYBQVLPFKDA-AWEZNQCLSA-N 2 1 371.478 0.776 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000430609165 489752277 /nfs/dbraw/zinc/75/22/77/489752277.db2.gz HANPOTLTZKVPSB-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606563 489752424 /nfs/dbraw/zinc/75/24/24/489752424.db2.gz WHUWOCGZAZHLSB-AEFFLSMTSA-N 2 1 360.502 0.829 20 0 FCADMP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610564 489753946 /nfs/dbraw/zinc/75/39/46/489753946.db2.gz LAQJNMUOAXXMMR-WCQYABFASA-N 2 1 353.492 0.874 20 0 FCADMP Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430610564 489753947 /nfs/dbraw/zinc/75/39/47/489753947.db2.gz LAQJNMUOAXXMMR-WCQYABFASA-N 2 1 353.492 0.874 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000418848318 489754743 /nfs/dbraw/zinc/75/47/43/489754743.db2.gz LCHRCWIROMRNHS-GOEBONIOSA-N 2 1 362.474 0.672 20 0 FCADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624234 489755937 /nfs/dbraw/zinc/75/59/37/489755937.db2.gz OFKXAUBYTYLFKK-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000430624372 489756021 /nfs/dbraw/zinc/75/60/21/489756021.db2.gz IALZVGSOVRRWLQ-HNNXBMFYSA-N 2 1 353.488 0.637 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000430624372 489756023 /nfs/dbraw/zinc/75/60/23/489756023.db2.gz IALZVGSOVRRWLQ-HNNXBMFYSA-N 2 1 353.488 0.637 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC000430624612 489756769 /nfs/dbraw/zinc/75/67/69/489756769.db2.gz JEDJKPPLICWYAI-QGZVFWFLSA-N 2 1 350.507 0.827 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000418851917 489756911 /nfs/dbraw/zinc/75/69/11/489756911.db2.gz QEWNUFUETUPRHD-GOEBONIOSA-N 2 1 362.474 0.625 20 0 FCADMP C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430629258 489757409 /nfs/dbraw/zinc/75/74/09/489757409.db2.gz PQTPHRHPDMUGNA-CYBMUJFWSA-N 2 1 350.438 0.790 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626710 489758021 /nfs/dbraw/zinc/75/80/21/489758021.db2.gz MGHZJRWQMNTLPP-ILXRZTDVSA-N 2 1 367.494 0.178 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc2C1 ZINC000430630269 489758259 /nfs/dbraw/zinc/75/82/59/489758259.db2.gz RWSBMZDWQZBEPX-IBGZPJMESA-N 2 1 370.497 0.715 20 0 FCADMP CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000430631870 489758646 /nfs/dbraw/zinc/75/86/46/489758646.db2.gz VUUHMPOFHXXYFR-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640871 489760292 /nfs/dbraw/zinc/76/02/92/489760292.db2.gz LEKSPNGQIGSQQF-ROUUACIJSA-N 2 1 358.486 0.960 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647428 489761522 /nfs/dbraw/zinc/76/15/22/489761522.db2.gz XWGGGBSZWIIPES-OLZOCXBDSA-N 2 1 362.396 0.293 20 0 FCADMP O=C([C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647428 489761527 /nfs/dbraw/zinc/76/15/27/489761527.db2.gz XWGGGBSZWIIPES-OLZOCXBDSA-N 2 1 362.396 0.293 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC000430700538 489766120 /nfs/dbraw/zinc/76/61/20/489766120.db2.gz SBQQBGOQQBDCBX-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP Cc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430718002 489766633 /nfs/dbraw/zinc/76/66/33/489766633.db2.gz FYPPVHGRXRDCSU-OLZOCXBDSA-N 2 1 350.467 0.038 20 0 FCADMP Cc1c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000430718002 489766639 /nfs/dbraw/zinc/76/66/39/489766639.db2.gz FYPPVHGRXRDCSU-OLZOCXBDSA-N 2 1 350.467 0.038 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418870618 489767516 /nfs/dbraw/zinc/76/75/16/489767516.db2.gz YKRKWHVODRSYTJ-USXIJHARSA-N 2 1 374.485 0.606 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cn2)CC1 ZINC000430861099 489774566 /nfs/dbraw/zinc/77/45/66/489774566.db2.gz AIRHZLLVFAXHLR-UAGQMJEPSA-N 2 1 374.489 0.516 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418885937 489775887 /nfs/dbraw/zinc/77/58/87/489775887.db2.gz ZPUMLZDQMUTILO-OAGGEKHMSA-N 2 1 354.495 0.237 20 0 FCADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000430937665 489779239 /nfs/dbraw/zinc/77/92/39/489779239.db2.gz DJCREJNMYQJUII-MRXNPFEDSA-N 2 1 350.507 0.908 20 0 FCADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000430937665 489779244 /nfs/dbraw/zinc/77/92/44/489779244.db2.gz DJCREJNMYQJUII-MRXNPFEDSA-N 2 1 350.507 0.908 20 0 FCADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940132 489779439 /nfs/dbraw/zinc/77/94/39/489779439.db2.gz NWRVAWQGYNJKDE-QGZVFWFLSA-N 2 1 358.486 0.546 20 0 FCADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940132 489779441 /nfs/dbraw/zinc/77/94/41/489779441.db2.gz NWRVAWQGYNJKDE-QGZVFWFLSA-N 2 1 358.486 0.546 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947523 489780690 /nfs/dbraw/zinc/78/06/90/489780690.db2.gz BKRUBFFMUHYZTF-QFBILLFUSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947523 489780693 /nfs/dbraw/zinc/78/06/93/489780693.db2.gz BKRUBFFMUHYZTF-QFBILLFUSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000430966591 489781717 /nfs/dbraw/zinc/78/17/17/489781717.db2.gz PANLLTMNPZGTBH-CVEARBPZSA-N 2 1 350.507 0.764 20 0 FCADMP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000430966591 489781721 /nfs/dbraw/zinc/78/17/21/489781721.db2.gz PANLLTMNPZGTBH-CVEARBPZSA-N 2 1 350.507 0.764 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000418912542 489788196 /nfs/dbraw/zinc/78/81/96/489788196.db2.gz DGWQNBSXLKPRPU-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC1CC[NH+](C)CC1)C2 ZINC000376745396 489788417 /nfs/dbraw/zinc/78/84/17/489788417.db2.gz DLJPYDSFMZCYSQ-ALOPSCKCSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000418928236 489793834 /nfs/dbraw/zinc/79/38/34/489793834.db2.gz URBFDGQKUOJWJO-OAGGEKHMSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000418945036 489799316 /nfs/dbraw/zinc/79/93/16/489799316.db2.gz KXELWVDBBPVJHW-NVXWUHKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000418949856 489801760 /nfs/dbraw/zinc/80/17/60/489801760.db2.gz QALQCYABQCSLKW-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418985975 489810194 /nfs/dbraw/zinc/81/01/94/489810194.db2.gz NTHNFJLRLDFOHT-RYQLBKOJSA-N 2 1 358.486 0.788 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000460001569 489814846 /nfs/dbraw/zinc/81/48/46/489814846.db2.gz YZUURTCLRYSDEY-DLBZAZTESA-N 2 1 350.507 0.731 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000419034204 489827769 /nfs/dbraw/zinc/82/77/69/489827769.db2.gz DITGMQYADMTMGP-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000419036013 489828581 /nfs/dbraw/zinc/82/85/81/489828581.db2.gz GALZTVNEBYNHAW-NXOAAHMSSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000460047343 489831504 /nfs/dbraw/zinc/83/15/04/489831504.db2.gz ZUEUOSPCHUBZTN-QGZVFWFLSA-N 2 1 352.523 0.977 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419043468 489832454 /nfs/dbraw/zinc/83/24/54/489832454.db2.gz REDDMEOMNCSGNW-BBWFWOEESA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419046335 489833182 /nfs/dbraw/zinc/83/31/82/489833182.db2.gz PRDZBCMMBVANLY-HYVNUMGLSA-N 2 1 360.458 0.043 20 0 FCADMP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000377011003 489834422 /nfs/dbraw/zinc/83/44/22/489834422.db2.gz CPRWPECWAPABHJ-MRXNPFEDSA-N 2 1 358.508 0.954 20 0 FCADMP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000377011003 489834427 /nfs/dbraw/zinc/83/44/27/489834427.db2.gz CPRWPECWAPABHJ-MRXNPFEDSA-N 2 1 358.508 0.954 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419056430 489837419 /nfs/dbraw/zinc/83/74/19/489837419.db2.gz LMKLLMLAVWCEMD-FGTMMUONSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419058746 489838322 /nfs/dbraw/zinc/83/83/22/489838322.db2.gz CEMXDUASGXGEOO-KBPBESRZSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C[C@@H]1[NH+](C)C ZINC000460064968 489840158 /nfs/dbraw/zinc/84/01/58/489840158.db2.gz XLKCQZRYIZSZLA-UXLLHSPISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066086 489841823 /nfs/dbraw/zinc/84/18/23/489841823.db2.gz DYYPRASLEANNNW-YJBOKZPZSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066086 489841828 /nfs/dbraw/zinc/84/18/28/489841828.db2.gz DYYPRASLEANNNW-YJBOKZPZSA-N 2 1 374.485 0.392 20 0 FCADMP O=C(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)NCC[NH+]1CCCCCC1 ZINC000432431863 489841868 /nfs/dbraw/zinc/84/18/68/489841868.db2.gz FHHAYESQAFRTDN-DLBZAZTESA-N 2 1 365.522 0.905 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419065348 489842246 /nfs/dbraw/zinc/84/22/46/489842246.db2.gz DEHMJOJRAWRPOU-HUUCEWRRSA-N 2 1 362.474 0.235 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419065348 489842248 /nfs/dbraw/zinc/84/22/48/489842248.db2.gz DEHMJOJRAWRPOU-HUUCEWRRSA-N 2 1 362.474 0.235 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419067801 489842890 /nfs/dbraw/zinc/84/28/90/489842890.db2.gz GNSLDIPSGSJEGQ-LSDHHAIUSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419067801 489842895 /nfs/dbraw/zinc/84/28/95/489842895.db2.gz GNSLDIPSGSJEGQ-LSDHHAIUSA-N 2 1 362.474 0.329 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000460076281 489845168 /nfs/dbraw/zinc/84/51/68/489845168.db2.gz NHACPULKCPGXSS-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074151 489846115 /nfs/dbraw/zinc/84/61/15/489846115.db2.gz NCZARTDPHZIQAD-KBXCAEBGSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074151 489846119 /nfs/dbraw/zinc/84/61/19/489846119.db2.gz NCZARTDPHZIQAD-KBXCAEBGSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074155 489846529 /nfs/dbraw/zinc/84/65/29/489846529.db2.gz NCZARTDPHZIQAD-KSSFIOAISA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CCO1 ZINC000419074155 489846533 /nfs/dbraw/zinc/84/65/33/489846533.db2.gz NCZARTDPHZIQAD-KSSFIOAISA-N 2 1 374.485 0.377 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920183 491283006 /nfs/dbraw/zinc/28/30/06/491283006.db2.gz CIPGXKFQQMOQDV-SJORKVTESA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920183 491283011 /nfs/dbraw/zinc/28/30/11/491283011.db2.gz CIPGXKFQQMOQDV-SJORKVTESA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920183 491283013 /nfs/dbraw/zinc/28/30/13/491283013.db2.gz CIPGXKFQQMOQDV-SJORKVTESA-N 2 1 369.554 0.221 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)O1 ZINC000419087292 489851417 /nfs/dbraw/zinc/85/14/17/489851417.db2.gz PDVXWSVGKKFBQS-XQLPTFJDSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)O1 ZINC000419087292 489851418 /nfs/dbraw/zinc/85/14/18/489851418.db2.gz PDVXWSVGKKFBQS-XQLPTFJDSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419090253 489852354 /nfs/dbraw/zinc/85/23/54/489852354.db2.gz UUSQIVHWAISXOL-HUUCEWRRSA-N 2 1 368.522 0.496 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000419089544 489852690 /nfs/dbraw/zinc/85/26/90/489852690.db2.gz UCKBRKXEDHCPTF-KKUMJFAQSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000419092343 489853780 /nfs/dbraw/zinc/85/37/80/489853780.db2.gz XCXSYWGCSBJUGQ-BZUAXINKSA-N 2 1 368.522 0.578 20 0 FCADMP C[N@H+](CCCNC(=O)C1CCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000432794287 489854024 /nfs/dbraw/zinc/85/40/24/489854024.db2.gz ARSVQJFBEUJFQU-UHFFFAOYSA-N 2 1 360.506 0.967 20 0 FCADMP C[N@@H+](CCCNC(=O)C1CCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000432794287 489854028 /nfs/dbraw/zinc/85/40/28/489854028.db2.gz ARSVQJFBEUJFQU-UHFFFAOYSA-N 2 1 360.506 0.967 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[nH+]c1 ZINC000419097029 489854209 /nfs/dbraw/zinc/85/42/09/489854209.db2.gz MTCMAJQSEPXGGH-XHSDSOJGSA-N 2 1 359.474 0.894 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)[nH+]c1 ZINC000419098348 489854984 /nfs/dbraw/zinc/85/49/84/489854984.db2.gz NXRBOHGTOFHOFF-INIZCTEOSA-N 2 1 361.490 1.332 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419099113 489855168 /nfs/dbraw/zinc/85/51/68/489855168.db2.gz DKCWFLXGPCIBDE-IRXDYDNUSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419103978 489855824 /nfs/dbraw/zinc/85/58/24/489855824.db2.gz GUVCAWCVPGHYCX-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000460250700 489858383 /nfs/dbraw/zinc/85/83/83/489858383.db2.gz LDNDLCSHTWZOHM-GOSISDBHSA-N 2 1 350.463 0.493 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000460265763 489860858 /nfs/dbraw/zinc/86/08/58/489860858.db2.gz ZEMCFGBMSIVQEB-XYJFISCASA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000460265763 489860862 /nfs/dbraw/zinc/86/08/62/489860862.db2.gz ZEMCFGBMSIVQEB-XYJFISCASA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000460265763 489860867 /nfs/dbraw/zinc/86/08/67/489860867.db2.gz ZEMCFGBMSIVQEB-XYJFISCASA-N 2 1 356.511 0.489 20 0 FCADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000460336674 489863439 /nfs/dbraw/zinc/86/34/39/489863439.db2.gz UZWDYAXBWZRKGV-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120115 489864323 /nfs/dbraw/zinc/86/43/23/489864323.db2.gz PRGPRMUTGYHEGS-PVAVHDDUSA-N 2 1 368.522 0.483 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000419991494 489874637 /nfs/dbraw/zinc/87/46/37/489874637.db2.gz DKLVSQQJELMOBM-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000419991494 489874639 /nfs/dbraw/zinc/87/46/39/489874639.db2.gz DKLVSQQJELMOBM-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420065203 489900525 /nfs/dbraw/zinc/90/05/25/489900525.db2.gz XINGFNGMMHMLMH-INIZCTEOSA-N 2 1 361.490 0.748 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433789137 489900851 /nfs/dbraw/zinc/90/08/51/489900851.db2.gz CVIKFEYFLYUAEI-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000494641127 489901659 /nfs/dbraw/zinc/90/16/59/489901659.db2.gz DMWYKDLPJINOBH-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070093 489902141 /nfs/dbraw/zinc/90/21/41/489902141.db2.gz JEQMWEDZHYVADI-YOEHRIQHSA-N 2 1 366.506 0.332 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069218 489902752 /nfs/dbraw/zinc/90/27/52/489902752.db2.gz VNMMYJPCABRDPI-QZTJIDSGSA-N 2 1 373.501 0.748 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433925897 489904833 /nfs/dbraw/zinc/90/48/33/489904833.db2.gz XCHOGXDGURPJEP-CVEARBPZSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433925897 489904835 /nfs/dbraw/zinc/90/48/35/489904835.db2.gz XCHOGXDGURPJEP-CVEARBPZSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433925897 489904837 /nfs/dbraw/zinc/90/48/37/489904837.db2.gz XCHOGXDGURPJEP-CVEARBPZSA-N 2 1 351.495 0.642 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC[N@@H+]1CCOC ZINC000420083109 489906513 /nfs/dbraw/zinc/90/65/13/489906513.db2.gz SIRYVELJYXZOHK-OAHLLOKOSA-N 2 1 356.511 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC[N@H+]1CCOC ZINC000420083109 489906516 /nfs/dbraw/zinc/90/65/16/489906516.db2.gz SIRYVELJYXZOHK-OAHLLOKOSA-N 2 1 356.511 0.579 20 0 FCADMP C[C@](O)(CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352234 489923552 /nfs/dbraw/zinc/92/35/52/489923552.db2.gz FUVZWWJSANBWRR-AEFFLSMTSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@](O)(CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000434352234 489923556 /nfs/dbraw/zinc/92/35/56/489923556.db2.gz FUVZWWJSANBWRR-AEFFLSMTSA-N 2 1 354.495 0.386 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420131255 489924097 /nfs/dbraw/zinc/92/40/97/489924097.db2.gz WZTOZSWQCWMKSR-CABCVRRESA-N 2 1 354.495 0.332 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420131259 489924133 /nfs/dbraw/zinc/92/41/33/489924133.db2.gz WZTOZSWQCWMKSR-HUUCEWRRSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000420141831 489928392 /nfs/dbraw/zinc/92/83/92/489928392.db2.gz ZORRNDGOLHVASW-HUUCEWRRSA-N 2 1 364.515 0.692 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141423 489928582 /nfs/dbraw/zinc/92/85/82/489928582.db2.gz ZITDPQQBUFIBGV-OQIJWPOYSA-N 2 1 370.497 0.834 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420145324 489929710 /nfs/dbraw/zinc/92/97/10/489929710.db2.gz OPNNOHFHRVQWJT-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)C[NH3+])c1 ZINC000420148794 489931167 /nfs/dbraw/zinc/93/11/67/489931167.db2.gz GKVFOPULQPUVAE-UHFFFAOYSA-N 2 1 372.416 0.296 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420173583 489939646 /nfs/dbraw/zinc/93/96/46/489939646.db2.gz XKHUUXZEYKVUKS-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420173583 489939648 /nfs/dbraw/zinc/93/96/48/489939648.db2.gz XKHUUXZEYKVUKS-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172895 489939757 /nfs/dbraw/zinc/93/97/57/489939757.db2.gz WHNMRMBGGNTYQH-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000420186417 489945148 /nfs/dbraw/zinc/94/51/48/489945148.db2.gz CLGXPVAPIOZYBA-INDMIFKZSA-N 2 1 370.497 0.820 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000420187473 489945379 /nfs/dbraw/zinc/94/53/79/489945379.db2.gz RJQYUFNLNALNFN-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000420198445 489949621 /nfs/dbraw/zinc/94/96/21/489949621.db2.gz CKFBDMHFCWAOOE-NQNKBUKLSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434708619 489951661 /nfs/dbraw/zinc/95/16/61/489951661.db2.gz DARANLLVUQJDCZ-GGJLBNBESA-N 2 1 368.566 0.848 20 0 FCADMP C[C@H](CN1CCOCC1)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000434708619 489951664 /nfs/dbraw/zinc/95/16/64/489951664.db2.gz DARANLLVUQJDCZ-GGJLBNBESA-N 2 1 368.566 0.848 20 0 FCADMP C[C@H](CN1CCOCC1)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000434708619 489951668 /nfs/dbraw/zinc/95/16/68/489951668.db2.gz DARANLLVUQJDCZ-GGJLBNBESA-N 2 1 368.566 0.848 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477263247 489954267 /nfs/dbraw/zinc/95/42/67/489954267.db2.gz JMGQKTKYOBOVRP-CRAIPNDOSA-N 2 1 356.511 0.308 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798581 489959904 /nfs/dbraw/zinc/95/99/04/489959904.db2.gz KEBYXIOAWOOVSD-HOTGVXAUSA-N 2 1 362.522 0.795 20 0 FCADMP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420297662 489960620 /nfs/dbraw/zinc/96/06/20/489960620.db2.gz RIZJEJKSBJNROO-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299657 489961952 /nfs/dbraw/zinc/96/19/52/489961952.db2.gz UEOVNXYDXQIIQU-VXGBXAGGSA-N 2 1 350.385 0.327 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000420310488 489962302 /nfs/dbraw/zinc/96/23/02/489962302.db2.gz PXWAUIZSIWOEAZ-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333724 489963730 /nfs/dbraw/zinc/96/37/30/489963730.db2.gz SVEKELWCHJRXOG-OLZOCXBDSA-N 2 1 363.462 0.445 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327217 489963856 /nfs/dbraw/zinc/96/38/56/489963856.db2.gz LBCTZTXXCPPLML-IRXDYDNUSA-N 2 1 358.490 0.447 20 0 FCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347219 489965226 /nfs/dbraw/zinc/96/52/26/489965226.db2.gz FUQAFRVTYAHRTA-MRXNPFEDSA-N 2 1 364.465 0.642 20 0 FCADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346698 489965481 /nfs/dbraw/zinc/96/54/81/489965481.db2.gz DIQMFMUJUHXWRN-IBGZPJMESA-N 2 1 360.502 0.819 20 0 FCADMP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346698 489965484 /nfs/dbraw/zinc/96/54/84/489965484.db2.gz DIQMFMUJUHXWRN-IBGZPJMESA-N 2 1 360.502 0.819 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000420348480 489965802 /nfs/dbraw/zinc/96/58/02/489965802.db2.gz MAAASRGIIROJIG-KRWDZBQOSA-N 2 1 352.523 0.822 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000420348480 489965804 /nfs/dbraw/zinc/96/58/04/489965804.db2.gz MAAASRGIIROJIG-KRWDZBQOSA-N 2 1 352.523 0.822 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349299 489966905 /nfs/dbraw/zinc/96/69/05/489966905.db2.gz OJOBBXLEHBDTNW-YJBOKZPZSA-N 2 1 374.485 0.457 20 0 FCADMP CSC1(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000462515466 489980069 /nfs/dbraw/zinc/98/00/69/489980069.db2.gz TZHYEBZHMFCUEA-INIZCTEOSA-N 2 1 374.551 0.196 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000477639266 489980139 /nfs/dbraw/zinc/98/01/39/489980139.db2.gz FBMQASONTLJSMC-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000477675412 489984025 /nfs/dbraw/zinc/98/40/25/489984025.db2.gz GNOISISEFVIVHH-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000420771504 490021329 /nfs/dbraw/zinc/02/13/29/490021329.db2.gz RZWYCASAGHWORK-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000420771504 490021333 /nfs/dbraw/zinc/02/13/33/490021333.db2.gz RZWYCASAGHWORK-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1=O ZINC000378187287 490024927 /nfs/dbraw/zinc/02/49/27/490024927.db2.gz IMSXTZMELWXSQM-YLFCFFPRSA-N 2 1 350.507 0.905 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853681 490026224 /nfs/dbraw/zinc/02/62/24/490026224.db2.gz DSVGNLAOYBNSIC-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420853681 490026229 /nfs/dbraw/zinc/02/62/29/490026229.db2.gz DSVGNLAOYBNSIC-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420853681 490026232 /nfs/dbraw/zinc/02/62/32/490026232.db2.gz DSVGNLAOYBNSIC-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000478823209 490040009 /nfs/dbraw/zinc/04/00/09/490040009.db2.gz LJOQHSFMEWGEHG-INIZCTEOSA-N 2 1 361.490 0.802 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000478823209 490040013 /nfs/dbraw/zinc/04/00/13/490040013.db2.gz LJOQHSFMEWGEHG-INIZCTEOSA-N 2 1 361.490 0.802 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000478821092 490040076 /nfs/dbraw/zinc/04/00/76/490040076.db2.gz HQAVJJQIIMGXON-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441044542 490050550 /nfs/dbraw/zinc/05/05/50/490050550.db2.gz XDNOGJCBYSBFOZ-ZFWWWQNUSA-N 2 1 356.430 1.004 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000378425140 490062309 /nfs/dbraw/zinc/06/23/09/490062309.db2.gz SQCKNOOMXRZGGS-ROUUACIJSA-N 2 1 374.485 0.744 20 0 FCADMP COC(=O)C1=C(C)O[C@H](CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482456 490071171 /nfs/dbraw/zinc/07/11/71/490071171.db2.gz MENMHALUHPJRLV-HOCLYGCPSA-N 2 1 351.447 0.636 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC000444273467 490079341 /nfs/dbraw/zinc/07/93/41/490079341.db2.gz PLXPZXRXIHWSKM-RDTXWAMCSA-N 2 1 354.495 0.141 20 0 FCADMP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC000444273466 490079466 /nfs/dbraw/zinc/07/94/66/490079466.db2.gz PLXPZXRXIHWSKM-KSSFIOAISA-N 2 1 354.495 0.141 20 0 FCADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000479307275 490082192 /nfs/dbraw/zinc/08/21/92/490082192.db2.gz FKKZSMXHDOWCFF-UHFFFAOYSA-N 2 1 353.511 0.668 20 0 FCADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000545164716 490088911 /nfs/dbraw/zinc/08/89/11/490088911.db2.gz DCXFPCBYXHVZFT-INIZCTEOSA-N 2 1 357.838 0.369 20 0 FCADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000545164716 490088915 /nfs/dbraw/zinc/08/89/15/490088915.db2.gz DCXFPCBYXHVZFT-INIZCTEOSA-N 2 1 357.838 0.369 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000465265617 490098427 /nfs/dbraw/zinc/09/84/27/490098427.db2.gz LNQXHTWZAAGHRH-QGZVFWFLSA-N 2 1 354.539 0.972 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000496148211 490105054 /nfs/dbraw/zinc/10/50/54/490105054.db2.gz OFOIDWBNBNMNDE-DLBZAZTESA-N 2 1 351.470 0.973 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000571320110 491300257 /nfs/dbraw/zinc/30/02/57/491300257.db2.gz DPMCVRRLJMAKNT-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000379674818 490126805 /nfs/dbraw/zinc/12/68/05/490126805.db2.gz VKZGNGVWLXJEAD-DOTOQJQBSA-N 2 1 355.504 0.805 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000496829995 490127990 /nfs/dbraw/zinc/12/79/90/490127990.db2.gz IBLSCWUCJJGZKE-HOTGVXAUSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000496829995 490127996 /nfs/dbraw/zinc/12/79/96/490127996.db2.gz IBLSCWUCJJGZKE-HOTGVXAUSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000496829995 490127998 /nfs/dbraw/zinc/12/79/98/490127998.db2.gz IBLSCWUCJJGZKE-HOTGVXAUSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000496829995 490128002 /nfs/dbraw/zinc/12/80/02/490128002.db2.gz IBLSCWUCJJGZKE-HOTGVXAUSA-N 2 1 355.479 0.583 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000520384389 490140518 /nfs/dbraw/zinc/14/05/18/490140518.db2.gz PTLDKWYWEVJIRE-HNNXBMFYSA-N 2 1 355.527 0.421 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000465840916 490146957 /nfs/dbraw/zinc/14/69/57/490146957.db2.gz KIAHFFAYRDRSGI-IKGGRYGDSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000465840916 490146965 /nfs/dbraw/zinc/14/69/65/490146965.db2.gz KIAHFFAYRDRSGI-IKGGRYGDSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000465840916 490146973 /nfs/dbraw/zinc/14/69/73/490146973.db2.gz KIAHFFAYRDRSGI-IKGGRYGDSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000465869994 490148684 /nfs/dbraw/zinc/14/86/84/490148684.db2.gz HVEXOOUSWKEKKH-QZTJIDSGSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000465869994 490148690 /nfs/dbraw/zinc/14/86/90/490148690.db2.gz HVEXOOUSWKEKKH-QZTJIDSGSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000465869994 490148693 /nfs/dbraw/zinc/14/86/93/490148693.db2.gz HVEXOOUSWKEKKH-QZTJIDSGSA-N 3 1 368.570 0.290 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000465869994 490148699 /nfs/dbraw/zinc/14/86/99/490148699.db2.gz HVEXOOUSWKEKKH-QZTJIDSGSA-N 2 1 368.570 0.290 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000465869994 490148706 /nfs/dbraw/zinc/14/87/06/490148706.db2.gz HVEXOOUSWKEKKH-QZTJIDSGSA-N 2 1 368.570 0.290 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000465870000 490148761 /nfs/dbraw/zinc/14/87/61/490148761.db2.gz HVEXOOUSWKEKKH-ZWKOTPCHSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000465870000 490148769 /nfs/dbraw/zinc/14/87/69/490148769.db2.gz HVEXOOUSWKEKKH-ZWKOTPCHSA-N 3 1 368.570 0.290 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000465870000 490148774 /nfs/dbraw/zinc/14/87/74/490148774.db2.gz HVEXOOUSWKEKKH-ZWKOTPCHSA-N 3 1 368.570 0.290 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000465870000 490148781 /nfs/dbraw/zinc/14/87/81/490148781.db2.gz HVEXOOUSWKEKKH-ZWKOTPCHSA-N 2 1 368.570 0.290 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000465870000 490148785 /nfs/dbraw/zinc/14/87/85/490148785.db2.gz HVEXOOUSWKEKKH-ZWKOTPCHSA-N 2 1 368.570 0.290 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000465863634 490148947 /nfs/dbraw/zinc/14/89/47/490148947.db2.gz HAPWUGVFEMKQHH-GDBMZVCRSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460153 490151409 /nfs/dbraw/zinc/15/14/09/490151409.db2.gz ZAFGTTFMMUEXCN-WBVHZDCISA-N 2 1 366.506 0.322 20 0 FCADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354144 491303007 /nfs/dbraw/zinc/30/30/07/491303007.db2.gz DPBPJQUZNLPJDH-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465956934 490157552 /nfs/dbraw/zinc/15/75/52/490157552.db2.gz RCVWVFODBFIMNF-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465956934 490157560 /nfs/dbraw/zinc/15/75/60/490157560.db2.gz RCVWVFODBFIMNF-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465956934 490157564 /nfs/dbraw/zinc/15/75/64/490157564.db2.gz RCVWVFODBFIMNF-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446288164 490157761 /nfs/dbraw/zinc/15/77/61/490157761.db2.gz NYPMYTILCQSSPA-MBOZVWFJSA-N 2 1 366.550 0.909 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608411 490169172 /nfs/dbraw/zinc/16/91/72/490169172.db2.gz XZZAEKKVRASREZ-VQTJNVASSA-N 2 1 359.470 0.196 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233892 490171400 /nfs/dbraw/zinc/17/14/00/490171400.db2.gz FUNWMGFUOFRJHC-DJIMGWMZSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233892 490171418 /nfs/dbraw/zinc/17/14/18/490171418.db2.gz FUNWMGFUOFRJHC-DJIMGWMZSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000466233892 490171435 /nfs/dbraw/zinc/17/14/35/490171435.db2.gz FUNWMGFUOFRJHC-DJIMGWMZSA-N 2 1 365.522 0.711 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770598 490186877 /nfs/dbraw/zinc/18/68/77/490186877.db2.gz JSMUVPLTLLUKPA-ROUUACIJSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000520770598 490186885 /nfs/dbraw/zinc/18/68/85/490186885.db2.gz JSMUVPLTLLUKPA-ROUUACIJSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000520770598 490186894 /nfs/dbraw/zinc/18/68/94/490186894.db2.gz JSMUVPLTLLUKPA-ROUUACIJSA-N 2 1 373.501 0.750 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000507411214 490217656 /nfs/dbraw/zinc/21/76/56/490217656.db2.gz WSXJICZYNKACAW-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000480637116 490219539 /nfs/dbraw/zinc/21/95/39/490219539.db2.gz AWKWHQJYMHYSLG-IUODEOHRSA-N 2 1 357.524 0.823 20 0 FCADMP COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387753 490228856 /nfs/dbraw/zinc/22/88/56/490228856.db2.gz UUGXYKMAQUEHHC-FUHWJXTLSA-N 2 1 371.522 0.321 20 0 FCADMP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000447387753 490228861 /nfs/dbraw/zinc/22/88/61/490228861.db2.gz UUGXYKMAQUEHHC-FUHWJXTLSA-N 2 1 371.522 0.321 20 0 FCADMP CNC(=O)N[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466947655 490232692 /nfs/dbraw/zinc/23/26/92/490232692.db2.gz WUFBYMCZIFYMKJ-HUUCEWRRSA-N 2 1 354.499 0.163 20 0 FCADMP CNC(=O)N[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947653 490233402 /nfs/dbraw/zinc/23/34/02/490233402.db2.gz WUFBYMCZIFYMKJ-GASCZTMLSA-N 2 1 354.499 0.163 20 0 FCADMP CNC(=O)N[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947653 490233406 /nfs/dbraw/zinc/23/34/06/490233406.db2.gz WUFBYMCZIFYMKJ-GASCZTMLSA-N 2 1 354.499 0.163 20 0 FCADMP CNC(=O)N[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947653 490233412 /nfs/dbraw/zinc/23/34/12/490233412.db2.gz WUFBYMCZIFYMKJ-GASCZTMLSA-N 2 1 354.499 0.163 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521370750 490253492 /nfs/dbraw/zinc/25/34/92/490253492.db2.gz IFJPMTCZLPGZRI-RDJZCZTQSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000521370750 490253501 /nfs/dbraw/zinc/25/35/01/490253501.db2.gz IFJPMTCZLPGZRI-RDJZCZTQSA-N 2 1 364.490 0.053 20 0 FCADMP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467205298 490268876 /nfs/dbraw/zinc/26/88/76/490268876.db2.gz GYLYJRAPZAFQCY-UHFFFAOYSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000521597343 490280327 /nfs/dbraw/zinc/28/03/27/490280327.db2.gz YMMZIJULRMNLNN-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)CSCC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000533815218 490285673 /nfs/dbraw/zinc/28/56/73/490285673.db2.gz KPCJREUQOGWFSM-FPCVCCKLSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000533815218 490285682 /nfs/dbraw/zinc/28/56/82/490285682.db2.gz KPCJREUQOGWFSM-FPCVCCKLSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000533815218 490285693 /nfs/dbraw/zinc/28/56/93/490285693.db2.gz KPCJREUQOGWFSM-FPCVCCKLSA-N 2 1 370.563 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000571550670 491315178 /nfs/dbraw/zinc/31/51/78/491315178.db2.gz NDWQJUKNRCFZHA-SJLPKXTDSA-N 2 1 358.486 0.917 20 0 FCADMP COC1(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000571566315 491316460 /nfs/dbraw/zinc/31/64/60/491316460.db2.gz QMVLOOIXJWNRNL-HNNXBMFYSA-N 2 1 366.531 0.921 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000422427332 490313779 /nfs/dbraw/zinc/31/37/79/490313779.db2.gz DDUACZOBRMUIGE-KRWDZBQOSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437169 490318287 /nfs/dbraw/zinc/31/82/87/490318287.db2.gz YZGDLFZDVFRUCJ-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000422437169 490318292 /nfs/dbraw/zinc/31/82/92/490318292.db2.gz YZGDLFZDVFRUCJ-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000422437169 490318300 /nfs/dbraw/zinc/31/83/00/490318300.db2.gz YZGDLFZDVFRUCJ-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467689681 490330799 /nfs/dbraw/zinc/33/07/99/490330799.db2.gz WWDDAQZOBPSJRN-ALOPSCKCSA-N 2 1 350.507 0.191 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)CC[C@H]2C)CC1=O ZINC000498725943 490332100 /nfs/dbraw/zinc/33/21/00/490332100.db2.gz KTZRZPPJPYXVJH-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1=O ZINC000498725943 490332105 /nfs/dbraw/zinc/33/21/05/490332105.db2.gz KTZRZPPJPYXVJH-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1=O ZINC000498725943 490332109 /nfs/dbraw/zinc/33/21/09/490332109.db2.gz KTZRZPPJPYXVJH-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000422485671 490351493 /nfs/dbraw/zinc/35/14/93/490351493.db2.gz FJABGSRVZFQFHZ-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484089 490351575 /nfs/dbraw/zinc/35/15/75/490351575.db2.gz BWIWKBXXKMHBSO-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000422488433 490352331 /nfs/dbraw/zinc/35/23/31/490352331.db2.gz NBJQGEQTKHWOTB-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000422492568 490357382 /nfs/dbraw/zinc/35/73/82/490357382.db2.gz PBAWRIORPINMIA-IRXDYDNUSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000422492568 490357388 /nfs/dbraw/zinc/35/73/88/490357388.db2.gz PBAWRIORPINMIA-IRXDYDNUSA-N 2 1 366.506 0.015 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410876581 490373028 /nfs/dbraw/zinc/37/30/28/490373028.db2.gz KSMJQBIWZMBAGR-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522442614 490379450 /nfs/dbraw/zinc/37/94/50/490379450.db2.gz VATKRQRATTZPNI-QGZVFWFLSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(C)=O)nn1 ZINC000448853178 490382825 /nfs/dbraw/zinc/38/28/25/490382825.db2.gz NSPRNHPAIZWILH-OAHLLOKOSA-N 2 1 350.467 0.355 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000468505286 490410563 /nfs/dbraw/zinc/41/05/63/490410563.db2.gz NKUXGKBSAKBTHA-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918131 490425989 /nfs/dbraw/zinc/42/59/89/490425989.db2.gz WFTXMTLTHMJFHD-FHWLQOOXSA-N 2 1 361.486 0.706 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918131 490425992 /nfs/dbraw/zinc/42/59/92/490425992.db2.gz WFTXMTLTHMJFHD-FHWLQOOXSA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918131 490425997 /nfs/dbraw/zinc/42/59/97/490425997.db2.gz WFTXMTLTHMJFHD-FHWLQOOXSA-N 2 1 361.486 0.706 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000534918131 490426003 /nfs/dbraw/zinc/42/60/03/490426003.db2.gz WFTXMTLTHMJFHD-FHWLQOOXSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422638684 490437978 /nfs/dbraw/zinc/43/79/78/490437978.db2.gz QXEDYZSSDLJVTG-MCIONIFRSA-N 2 1 362.478 0.129 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000509718184 490456348 /nfs/dbraw/zinc/45/63/48/490456348.db2.gz XLVQFQNLTPGHOP-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000509723799 490457641 /nfs/dbraw/zinc/45/76/41/490457641.db2.gz ZJWZSNIVLVTTIQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000509723799 490457648 /nfs/dbraw/zinc/45/76/48/490457648.db2.gz ZJWZSNIVLVTTIQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000509723799 490457657 /nfs/dbraw/zinc/45/76/57/490457657.db2.gz ZJWZSNIVLVTTIQ-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000509727054 490458480 /nfs/dbraw/zinc/45/84/80/490458480.db2.gz GYDKLSCTWDZWMX-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939633 490480468 /nfs/dbraw/zinc/48/04/68/490480468.db2.gz STRLCSCXKBYDMD-UONOGXRCSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939633 490480472 /nfs/dbraw/zinc/48/04/72/490480472.db2.gz STRLCSCXKBYDMD-UONOGXRCSA-N 2 1 350.488 0.702 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000484965150 490483436 /nfs/dbraw/zinc/48/34/36/490483436.db2.gz ADFPVXVVKCNCSK-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000484965150 490483444 /nfs/dbraw/zinc/48/34/44/490483444.db2.gz ADFPVXVVKCNCSK-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000523676165 490485355 /nfs/dbraw/zinc/48/53/55/490485355.db2.gz FVQRPCXOTQMQGL-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000523676165 490485360 /nfs/dbraw/zinc/48/53/60/490485360.db2.gz FVQRPCXOTQMQGL-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000523676165 490485364 /nfs/dbraw/zinc/48/53/64/490485364.db2.gz FVQRPCXOTQMQGL-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693096 490486840 /nfs/dbraw/zinc/48/68/40/490486840.db2.gz VDDVHAMBFNXAJB-RYUDHWBXSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2csc(NC(=O)[C@H]3CC[N@H+](C)C3)n2)C1 ZINC000523693096 490486843 /nfs/dbraw/zinc/48/68/43/490486843.db2.gz VDDVHAMBFNXAJB-RYUDHWBXSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2csc(NC(=O)[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC000523693096 490486846 /nfs/dbraw/zinc/48/68/46/490486846.db2.gz VDDVHAMBFNXAJB-RYUDHWBXSA-N 2 1 351.476 0.601 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000523701179 490487749 /nfs/dbraw/zinc/48/77/49/490487749.db2.gz WPGMYKLOEQPXBQ-QGZVFWFLSA-N 2 1 355.527 0.018 20 0 FCADMP C[N@@H+]1CCC[C@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000523701179 490487752 /nfs/dbraw/zinc/48/77/52/490487752.db2.gz WPGMYKLOEQPXBQ-QGZVFWFLSA-N 2 1 355.527 0.018 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000523701179 490487759 /nfs/dbraw/zinc/48/77/59/490487759.db2.gz WPGMYKLOEQPXBQ-QGZVFWFLSA-N 2 1 355.527 0.018 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000510381842 490512147 /nfs/dbraw/zinc/51/21/47/490512147.db2.gz ZQAXUCWOMLTWPU-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000500436606 490516344 /nfs/dbraw/zinc/51/63/44/490516344.db2.gz AYVUWYPRICFVRO-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000500458282 490519685 /nfs/dbraw/zinc/51/96/85/490519685.db2.gz SFGYNZZNDGPHTB-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000556749637 491333100 /nfs/dbraw/zinc/33/31/00/491333100.db2.gz MWGQVUHKZYVRPJ-KURKYZTESA-N 2 1 368.522 0.776 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000556749637 491333104 /nfs/dbraw/zinc/33/31/04/491333104.db2.gz MWGQVUHKZYVRPJ-KURKYZTESA-N 2 1 368.522 0.776 20 0 FCADMP COCC1(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000451150880 490522462 /nfs/dbraw/zinc/52/24/62/490522462.db2.gz XRPFJPREGXWKSC-UHFFFAOYSA-N 2 1 368.503 0.692 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000510543766 490525389 /nfs/dbraw/zinc/52/53/89/490525389.db2.gz CEVVGJGIMLZOQP-OAHLLOKOSA-N 2 1 365.522 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000510543766 490525393 /nfs/dbraw/zinc/52/53/93/490525393.db2.gz CEVVGJGIMLZOQP-OAHLLOKOSA-N 2 1 365.522 0.927 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423039691 490527504 /nfs/dbraw/zinc/52/75/04/490527504.db2.gz QZUWRVLNFJLZTF-IEBWSBKVSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000423040062 490527625 /nfs/dbraw/zinc/52/76/25/490527625.db2.gz SJHMARQKMZKUGT-KRWDZBQOSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000571872475 491334074 /nfs/dbraw/zinc/33/40/74/491334074.db2.gz DZOOJFMIWSGETF-RYRKJORJSA-N 2 1 358.486 0.915 20 0 FCADMP CCC[C@H]1CN(C(=O)NCCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC000500762425 490549359 /nfs/dbraw/zinc/54/93/59/490549359.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 1 356.511 0.849 20 0 FCADMP CCC[C@H]1CN(C(=O)NCCN2CCOC[C@H]2C)CCN1CCOC ZINC000500762425 490549363 /nfs/dbraw/zinc/54/93/63/490549363.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 1 356.511 0.849 20 0 FCADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069182 490550177 /nfs/dbraw/zinc/55/01/77/490550177.db2.gz XHTCUQXZZUPIEY-OAHLLOKOSA-N 2 1 371.441 0.390 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000564914737 491335846 /nfs/dbraw/zinc/33/58/46/491335846.db2.gz GTBWJMNMRVNASM-QGZVFWFLSA-N 2 1 360.458 0.368 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000485847809 490563223 /nfs/dbraw/zinc/56/32/23/490563223.db2.gz RVFDAVLFSIAIEU-ZHALLVOQSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1=CC[NH+](C)CC1 ZINC000511214942 490571174 /nfs/dbraw/zinc/57/11/74/490571174.db2.gz GLRNUUWVVNMQBV-WBVHZDCISA-N 2 1 365.522 0.879 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214942 490571176 /nfs/dbraw/zinc/57/11/76/490571176.db2.gz GLRNUUWVVNMQBV-WBVHZDCISA-N 2 1 365.522 0.879 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214942 490571179 /nfs/dbraw/zinc/57/11/79/490571179.db2.gz GLRNUUWVVNMQBV-WBVHZDCISA-N 2 1 365.522 0.879 20 0 FCADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000501154669 490584541 /nfs/dbraw/zinc/58/45/41/490584541.db2.gz QMQGSWVVUDYHHX-QGZVFWFLSA-N 2 1 368.522 0.357 20 0 FCADMP C[C@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000525293439 490594081 /nfs/dbraw/zinc/59/40/81/490594081.db2.gz ZKCUWCGLFSTHCE-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000525293439 490594088 /nfs/dbraw/zinc/59/40/88/490594088.db2.gz ZKCUWCGLFSTHCE-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486289722 490606468 /nfs/dbraw/zinc/60/64/68/490606468.db2.gz FDLJDCRIPWUISQ-BIVLZKPYSA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486289722 490606472 /nfs/dbraw/zinc/60/64/72/490606472.db2.gz FDLJDCRIPWUISQ-BIVLZKPYSA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486289722 490606479 /nfs/dbraw/zinc/60/64/79/490606479.db2.gz FDLJDCRIPWUISQ-BIVLZKPYSA-N 2 1 352.523 0.639 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501519852 490611408 /nfs/dbraw/zinc/61/14/08/490611408.db2.gz CVKMKJZXWWFIQJ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501519852 490611412 /nfs/dbraw/zinc/61/14/12/490611412.db2.gz CVKMKJZXWWFIQJ-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000549926903 490614330 /nfs/dbraw/zinc/61/43/30/490614330.db2.gz NWYYYDIYFWYESW-UHFFFAOYSA-N 2 1 360.502 0.831 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365759 490614749 /nfs/dbraw/zinc/61/47/49/490614749.db2.gz LBMSZGYOFSZGEL-KURKYZTESA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000486365759 490614753 /nfs/dbraw/zinc/61/47/53/490614753.db2.gz LBMSZGYOFSZGEL-KURKYZTESA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000486365759 490614759 /nfs/dbraw/zinc/61/47/59/490614759.db2.gz LBMSZGYOFSZGEL-KURKYZTESA-N 2 1 352.523 0.438 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589251 490619502 /nfs/dbraw/zinc/61/95/02/490619502.db2.gz ODWZRGRNOLICRE-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000501600497 490620164 /nfs/dbraw/zinc/62/01/64/490620164.db2.gz SRGNEVKQSAVBHX-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486442068 490626041 /nfs/dbraw/zinc/62/60/41/490626041.db2.gz NNXDCUBADISKSU-VQHPVUNQSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486442068 490626044 /nfs/dbraw/zinc/62/60/44/490626044.db2.gz NNXDCUBADISKSU-VQHPVUNQSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486442068 490626046 /nfs/dbraw/zinc/62/60/46/490626046.db2.gz NNXDCUBADISKSU-VQHPVUNQSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635160 490627696 /nfs/dbraw/zinc/62/76/96/490627696.db2.gz FTTRTQVHPIDRSM-HZPDHXFCSA-N 2 1 366.506 0.156 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640274 490630217 /nfs/dbraw/zinc/63/02/17/490630217.db2.gz NKUWLUVWJFLSGX-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000501651822 490630713 /nfs/dbraw/zinc/63/07/13/490630713.db2.gz YMISONWMPPRCFC-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000486461228 490633266 /nfs/dbraw/zinc/63/32/66/490633266.db2.gz ANQVBKUVWVYTKW-SJORKVTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461228 490633269 /nfs/dbraw/zinc/63/32/69/490633269.db2.gz ANQVBKUVWVYTKW-SJORKVTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461228 490633274 /nfs/dbraw/zinc/63/32/74/490633274.db2.gz ANQVBKUVWVYTKW-SJORKVTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000486461225 490633561 /nfs/dbraw/zinc/63/35/61/490633561.db2.gz ANQVBKUVWVYTKW-DLBZAZTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461225 490633566 /nfs/dbraw/zinc/63/35/66/490633566.db2.gz ANQVBKUVWVYTKW-DLBZAZTESA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1C ZINC000486461225 490633568 /nfs/dbraw/zinc/63/35/68/490633568.db2.gz ANQVBKUVWVYTKW-DLBZAZTESA-N 2 1 367.538 0.911 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)NC)nc1 ZINC000486578483 490647496 /nfs/dbraw/zinc/64/74/96/490647496.db2.gz IBPZNCGMKGUNKP-INIZCTEOSA-N 2 1 361.490 0.929 20 0 FCADMP COc1ccc(CN2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2=O)cc1 ZINC000564988485 491344094 /nfs/dbraw/zinc/34/40/94/491344094.db2.gz JYRXMPNJOYXQCA-UHFFFAOYSA-N 2 1 374.485 0.551 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550467784 490672616 /nfs/dbraw/zinc/67/26/16/490672616.db2.gz VLBXWPIWQJQXTR-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550467784 490672618 /nfs/dbraw/zinc/67/26/18/490672618.db2.gz VLBXWPIWQJQXTR-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550467784 490672620 /nfs/dbraw/zinc/67/26/20/490672620.db2.gz VLBXWPIWQJQXTR-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943025 490681578 /nfs/dbraw/zinc/68/15/78/490681578.db2.gz WVPMMRBHSREMSY-SZMVWBNQSA-N 2 1 360.502 0.589 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000512665684 490691600 /nfs/dbraw/zinc/69/16/00/490691600.db2.gz HBMNETSBUUCCBT-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512661962 490691653 /nfs/dbraw/zinc/69/16/53/490691653.db2.gz VCIHNYSXQOIFCN-UHFFFAOYSA-N 2 1 369.554 0.549 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000487444026 490712952 /nfs/dbraw/zinc/71/29/52/490712952.db2.gz SMKDTVWAJPQIAZ-CABCVRRESA-N 2 1 363.524 0.473 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000487444026 490712956 /nfs/dbraw/zinc/71/29/56/490712956.db2.gz SMKDTVWAJPQIAZ-CABCVRRESA-N 2 1 363.524 0.473 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513207126 490715031 /nfs/dbraw/zinc/71/50/31/490715031.db2.gz UKSGSVBVABWVKS-CVEARBPZSA-N 2 1 359.536 0.780 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513207126 490715034 /nfs/dbraw/zinc/71/50/34/490715034.db2.gz UKSGSVBVABWVKS-CVEARBPZSA-N 2 1 359.536 0.780 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513231289 490715272 /nfs/dbraw/zinc/71/52/72/490715272.db2.gz UQAVASQPHDPOOI-CABCVRRESA-N 2 1 367.494 0.193 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513231289 490715274 /nfs/dbraw/zinc/71/52/74/490715274.db2.gz UQAVASQPHDPOOI-CABCVRRESA-N 2 1 367.494 0.193 20 0 FCADMP [NH3+]C1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCOCC1 ZINC000513236590 490715964 /nfs/dbraw/zinc/71/59/64/490715964.db2.gz YQFKQJTZDHCMTI-UHFFFAOYSA-N 2 1 353.385 0.608 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC1=O ZINC000513238483 490716920 /nfs/dbraw/zinc/71/69/20/490716920.db2.gz MXUBHKUVUAMNJD-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000513238483 490716923 /nfs/dbraw/zinc/71/69/23/490716923.db2.gz MXUBHKUVUAMNJD-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1=O ZINC000513238483 490716924 /nfs/dbraw/zinc/71/69/24/490716924.db2.gz MXUBHKUVUAMNJD-VVLHAWIVSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000487674000 490724127 /nfs/dbraw/zinc/72/41/27/490724127.db2.gz JONJPXCRBRUSOM-INIZCTEOSA-N 2 1 374.489 0.561 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000487674000 490724131 /nfs/dbraw/zinc/72/41/31/490724131.db2.gz JONJPXCRBRUSOM-INIZCTEOSA-N 2 1 374.489 0.561 20 0 FCADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000503075023 490737394 /nfs/dbraw/zinc/73/73/94/490737394.db2.gz MMQHSZQHAVMJTI-HOTGVXAUSA-N 2 1 356.492 0.059 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000514211201 490766093 /nfs/dbraw/zinc/76/60/93/490766093.db2.gz OWGGQCXCAREQBS-ULQDDVLXSA-N 2 1 361.552 0.995 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000514211199 490766327 /nfs/dbraw/zinc/76/63/27/490766327.db2.gz OWGGQCXCAREQBS-BBWFWOEESA-N 2 1 361.552 0.995 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210872 490766544 /nfs/dbraw/zinc/76/65/44/490766544.db2.gz KQYAPGASFDZWAW-MSOLQXFVSA-N 3 1 354.539 0.877 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCC(C)CC1 ZINC000557122177 491354682 /nfs/dbraw/zinc/35/46/82/491354682.db2.gz SZUGFWAOXXDVIN-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000514663378 490779389 /nfs/dbraw/zinc/77/93/89/490779389.db2.gz OHMTXJNNNCFAAO-MRXNPFEDSA-N 2 1 356.430 0.440 20 0 FCADMP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850469 490792832 /nfs/dbraw/zinc/79/28/32/490792832.db2.gz NESFJKPPUPVIQO-DOTOQJQBSA-N 2 1 362.518 0.968 20 0 FCADMP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000514850472 490793127 /nfs/dbraw/zinc/79/31/27/490793127.db2.gz NESFJKPPUPVIQO-WBVHZDCISA-N 2 1 362.518 0.968 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000514951226 490799993 /nfs/dbraw/zinc/79/99/93/490799993.db2.gz LFCROGXRCBFSSE-HOTGVXAUSA-N 2 1 351.495 0.594 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000572234252 491357255 /nfs/dbraw/zinc/35/72/55/491357255.db2.gz MQPTZMGCRACNKV-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242946 491357723 /nfs/dbraw/zinc/35/77/23/491357723.db2.gz DOHTWDJSCHZMNB-XYVMCAHJSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000515333198 490819175 /nfs/dbraw/zinc/81/91/75/490819175.db2.gz HBPHRIPUFXKLOM-UHFFFAOYSA-N 2 1 354.520 0.142 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000557193858 491358713 /nfs/dbraw/zinc/35/87/13/491358713.db2.gz SAIOFCULGLVUHV-ULQDDVLXSA-N 3 1 355.527 0.408 20 0 FCADMP COC[C@@H](O)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000515832167 490839997 /nfs/dbraw/zinc/83/99/97/490839997.db2.gz MGKVQQHGNQAKQW-KRWDZBQOSA-N 2 1 351.447 0.444 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000516213364 490857061 /nfs/dbraw/zinc/85/70/61/490857061.db2.gz RLHDPTJTFIVDRN-NVXWUHKLSA-N 2 1 371.485 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000516213364 490857063 /nfs/dbraw/zinc/85/70/63/490857063.db2.gz RLHDPTJTFIVDRN-NVXWUHKLSA-N 2 1 371.485 0.638 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000516619493 490871423 /nfs/dbraw/zinc/87/14/23/490871423.db2.gz XCAGWXIYDDNAIH-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000516619493 490871424 /nfs/dbraw/zinc/87/14/24/490871424.db2.gz XCAGWXIYDDNAIH-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP CN1CC(=O)N(CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000516625064 490871543 /nfs/dbraw/zinc/87/15/43/490871543.db2.gz UNFQQSVDHIMLDF-UHFFFAOYSA-N 2 1 374.445 0.446 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000541836954 490874725 /nfs/dbraw/zinc/87/47/25/490874725.db2.gz BPLKYXRKNUTRBI-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000516780403 490877658 /nfs/dbraw/zinc/87/76/58/490877658.db2.gz AZTUABSHTAWURU-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000516780403 490877660 /nfs/dbraw/zinc/87/76/60/490877660.db2.gz AZTUABSHTAWURU-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000516780403 490877662 /nfs/dbraw/zinc/87/76/62/490877662.db2.gz AZTUABSHTAWURU-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784430 490878092 /nfs/dbraw/zinc/87/80/92/490878092.db2.gz QHIIFAGOYMACOL-HOTGVXAUSA-N 2 1 374.489 0.391 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784430 490878094 /nfs/dbraw/zinc/87/80/94/490878094.db2.gz QHIIFAGOYMACOL-HOTGVXAUSA-N 2 1 374.489 0.391 20 0 FCADMP COCC(COC)N1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000516913834 490884466 /nfs/dbraw/zinc/88/44/66/490884466.db2.gz UPHYLAFRWZUGEY-MRXNPFEDSA-N 2 1 356.511 0.705 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000516913834 490884467 /nfs/dbraw/zinc/88/44/67/490884467.db2.gz UPHYLAFRWZUGEY-MRXNPFEDSA-N 2 1 356.511 0.705 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000516913834 490884468 /nfs/dbraw/zinc/88/44/68/490884468.db2.gz UPHYLAFRWZUGEY-MRXNPFEDSA-N 2 1 356.511 0.705 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC000572274720 491360151 /nfs/dbraw/zinc/36/01/51/491360151.db2.gz LMNCHZOZNRMDDN-HOTGVXAUSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)CC1 ZINC000517225443 490899750 /nfs/dbraw/zinc/89/97/50/490899750.db2.gz ZDLWOVPKOOPXTE-KRWDZBQOSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572285925 491360382 /nfs/dbraw/zinc/36/03/82/491360382.db2.gz LEEJZQSIEABIFW-GVRJEKJASA-N 2 1 354.495 0.329 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572285925 491360384 /nfs/dbraw/zinc/36/03/84/491360384.db2.gz LEEJZQSIEABIFW-GVRJEKJASA-N 2 1 354.495 0.329 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530654411 490917736 /nfs/dbraw/zinc/91/77/36/490917736.db2.gz NSAUBTVZESANOE-OAQYLSRUSA-N 2 1 374.529 0.766 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+](C)C(C)C)CC1 ZINC000517863883 490922950 /nfs/dbraw/zinc/92/29/50/490922950.db2.gz BFYLZXAGDXJQOG-UHFFFAOYSA-N 2 1 355.527 0.912 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+](C)C(C)C)CC1 ZINC000517863883 490922951 /nfs/dbraw/zinc/92/29/51/490922951.db2.gz BFYLZXAGDXJQOG-UHFFFAOYSA-N 2 1 355.527 0.912 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000517863883 490922952 /nfs/dbraw/zinc/92/29/52/490922952.db2.gz BFYLZXAGDXJQOG-UHFFFAOYSA-N 2 1 355.527 0.912 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000517863883 490922954 /nfs/dbraw/zinc/92/29/54/490922954.db2.gz BFYLZXAGDXJQOG-UHFFFAOYSA-N 2 1 355.527 0.912 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777981 490924003 /nfs/dbraw/zinc/92/40/03/490924003.db2.gz CBOAICNRADNPBT-QZTJIDSGSA-N 2 1 372.579 0.758 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H]3CC(N)=O)CC2)CC1 ZINC000518214814 490933157 /nfs/dbraw/zinc/93/31/57/490933157.db2.gz CPRUTHYTJMGRNU-KRWDZBQOSA-N 2 1 366.506 0.286 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@@H+](C)CCOC)C2)CC1 ZINC000518522952 490944197 /nfs/dbraw/zinc/94/41/97/490944197.db2.gz WFBMCWHCCBPVBL-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NCCCCN2CC[NH+](C)CC2)ccn1 ZINC000543763174 490945571 /nfs/dbraw/zinc/94/55/71/490945571.db2.gz YKBAHYAEGWXPKT-UHFFFAOYSA-N 2 1 363.506 0.779 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000565253877 491366095 /nfs/dbraw/zinc/36/60/95/491366095.db2.gz KLTIVABAYLTWBD-ILXRZTDVSA-N 2 1 351.495 0.450 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NCCCCN2CC[NH+](C)CC2)CCSC1 ZINC000531366149 490954632 /nfs/dbraw/zinc/95/46/32/490954632.db2.gz OHYQJCVASKOGRS-KRWDZBQOSA-N 2 1 357.568 0.751 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000518934799 490955473 /nfs/dbraw/zinc/95/54/73/490955473.db2.gz OKNLKLOLHADYJD-XJKSGUPXSA-N 2 1 358.442 0.660 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000518941474 490955788 /nfs/dbraw/zinc/95/57/88/490955788.db2.gz ZTNSLONQBNAHHG-QGZVFWFLSA-N 2 1 366.506 0.254 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000519380429 490970428 /nfs/dbraw/zinc/97/04/28/490970428.db2.gz QFBMKTGEPBOAOJ-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000531812237 490975420 /nfs/dbraw/zinc/97/54/20/490975420.db2.gz HNAYWLYXVHRMFA-NVXWUHKLSA-N 2 1 363.506 0.419 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)CC1 ZINC000531838326 490976345 /nfs/dbraw/zinc/97/63/45/490976345.db2.gz XRYTUPIMJQWHRC-QZTJIDSGSA-N 2 1 366.554 0.042 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000519673802 490983508 /nfs/dbraw/zinc/98/35/08/490983508.db2.gz VJZNVOMMMFTAOH-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000553956629 491166603 /nfs/dbraw/zinc/16/66/03/491166603.db2.gz KLFQDZXNIRPZKB-LSDHHAIUSA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000562662292 491179215 /nfs/dbraw/zinc/17/92/15/491179215.db2.gz JECKHGMEPVXYBI-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000569706395 491184262 /nfs/dbraw/zinc/18/42/62/491184262.db2.gz NUWJQJSPIXNZQD-OWCLPIDISA-N 2 1 352.479 0.038 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)C1=O ZINC000562733772 491185554 /nfs/dbraw/zinc/18/55/54/491185554.db2.gz NAIPDNHCJKOORW-IKGGRYGDSA-N 2 1 372.469 0.267 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000557422462 491373889 /nfs/dbraw/zinc/37/38/89/491373889.db2.gz XFMXKHWSDIOTLU-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@H]2[NH3+])cn1 ZINC000572521770 491376299 /nfs/dbraw/zinc/37/62/99/491376299.db2.gz SHEJDBJTTZOJRA-YTQUADARSA-N 2 1 368.485 0.980 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000557501888 491379123 /nfs/dbraw/zinc/37/91/23/491379123.db2.gz VPCHSWCLOCCQIX-HOCLYGCPSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000557555022 491382466 /nfs/dbraw/zinc/38/24/66/491382466.db2.gz QSEKWEOJWVIBMO-QGZVFWFLSA-N 2 1 368.522 0.282 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000557555022 491382470 /nfs/dbraw/zinc/38/24/70/491382470.db2.gz QSEKWEOJWVIBMO-QGZVFWFLSA-N 2 1 368.522 0.282 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000557555022 491382472 /nfs/dbraw/zinc/38/24/72/491382472.db2.gz QSEKWEOJWVIBMO-QGZVFWFLSA-N 2 1 368.522 0.282 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000557561153 491382753 /nfs/dbraw/zinc/38/27/53/491382753.db2.gz FJZZNFNNKZLGDH-HNNXBMFYSA-N 2 1 372.513 0.801 20 0 FCADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]([N@H+]4CC[C@H](O)C4)C3)c2)CC1 ZINC000673514466 493339237 /nfs/dbraw/zinc/33/92/37/493339237.db2.gz GZXSEUYZSHDOSO-PMACEKPBSA-N 2 1 372.513 0.715 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000565643845 491390252 /nfs/dbraw/zinc/39/02/52/491390252.db2.gz HQUQSUWDEYDUNI-JKSUJKDBSA-N 2 1 359.474 0.743 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000565643845 491390254 /nfs/dbraw/zinc/39/02/54/491390254.db2.gz HQUQSUWDEYDUNI-JKSUJKDBSA-N 2 1 359.474 0.743 20 0 FCADMP O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1CCN1CCOCC1 ZINC000565651702 491391105 /nfs/dbraw/zinc/39/11/05/491391105.db2.gz PWPZRXYQERYTAK-BSDSXHPESA-N 3 1 350.507 0.430 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000565668538 491392486 /nfs/dbraw/zinc/39/24/86/491392486.db2.gz BPBCXQKIKSZAOI-PMPSAXMXSA-N 2 1 351.495 0.308 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1CCCC1 ZINC000557743135 491395404 /nfs/dbraw/zinc/39/54/04/491395404.db2.gz RELUSJZWCAKHKG-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000557743135 491395407 /nfs/dbraw/zinc/39/54/07/491395407.db2.gz RELUSJZWCAKHKG-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000557743135 491395410 /nfs/dbraw/zinc/39/54/10/491395410.db2.gz RELUSJZWCAKHKG-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966849 491404525 /nfs/dbraw/zinc/40/45/25/491404525.db2.gz KBGSZDJCQJKCMG-FUHWJXTLSA-N 2 1 369.531 0.956 20 0 FCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000572966849 491404526 /nfs/dbraw/zinc/40/45/26/491404526.db2.gz KBGSZDJCQJKCMG-FUHWJXTLSA-N 2 1 369.531 0.956 20 0 FCADMP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566129631 491419538 /nfs/dbraw/zinc/41/95/38/491419538.db2.gz GWMUWSMHKLPDIN-HOCLYGCPSA-N 2 1 355.504 0.788 20 0 FCADMP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566129631 491419539 /nfs/dbraw/zinc/41/95/39/491419539.db2.gz GWMUWSMHKLPDIN-HOCLYGCPSA-N 2 1 355.504 0.788 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000573309337 491425125 /nfs/dbraw/zinc/42/51/25/491425125.db2.gz FBKOGFXIGSHQAC-GOSISDBHSA-N 2 1 374.485 0.332 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346212 491428096 /nfs/dbraw/zinc/42/80/96/491428096.db2.gz BBKPWGVGOJFJJQ-ZIAGYGMSSA-N 2 1 365.444 0.948 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244173 491430007 /nfs/dbraw/zinc/43/00/07/491430007.db2.gz DBNSWYGNEDVJTQ-HAGHYFMRSA-N 3 1 374.529 0.498 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244173 491430008 /nfs/dbraw/zinc/43/00/08/491430008.db2.gz DBNSWYGNEDVJTQ-HAGHYFMRSA-N 2 1 374.529 0.498 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000566288852 491433091 /nfs/dbraw/zinc/43/30/91/491433091.db2.gz NCURUQFPUVKXFR-XHSDSOJGSA-N 2 1 364.494 0.649 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000566304319 491434073 /nfs/dbraw/zinc/43/40/73/491434073.db2.gz XHGKJBRVHRHPED-YESZJQIVSA-N 2 1 358.490 0.575 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000573505855 491437737 /nfs/dbraw/zinc/43/77/37/491437737.db2.gz DHNMPOWXPRMUGM-GOSISDBHSA-N 2 1 360.502 0.878 20 0 FCADMP C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351445 491439124 /nfs/dbraw/zinc/43/91/24/491439124.db2.gz IFOQTXVXXWLRON-QGZVFWFLSA-N 2 1 372.513 0.697 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000566396748 491440806 /nfs/dbraw/zinc/44/08/06/491440806.db2.gz BVQKIRDTTWWPMM-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000573674890 491447382 /nfs/dbraw/zinc/44/73/82/491447382.db2.gz GUQBWNXKUJQCOI-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000566491667 491448059 /nfs/dbraw/zinc/44/80/59/491448059.db2.gz WBZYRZBAQAJDTQ-OALUTQOASA-N 3 1 371.529 0.962 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000566491667 491448060 /nfs/dbraw/zinc/44/80/60/491448060.db2.gz WBZYRZBAQAJDTQ-OALUTQOASA-N 3 1 371.529 0.962 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684652 491448504 /nfs/dbraw/zinc/44/85/04/491448504.db2.gz NCYPZQUKXUCZJP-DZGCQCFKSA-N 2 1 360.458 0.800 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684652 491448506 /nfs/dbraw/zinc/44/85/06/491448506.db2.gz NCYPZQUKXUCZJP-DZGCQCFKSA-N 2 1 360.458 0.800 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496660 491449097 /nfs/dbraw/zinc/44/90/97/491449097.db2.gz SVBWJLNCKSTAKR-KZNAEPCWSA-N 2 1 374.460 0.951 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496660 491449100 /nfs/dbraw/zinc/44/91/00/491449100.db2.gz SVBWJLNCKSTAKR-KZNAEPCWSA-N 2 1 374.460 0.951 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000573806393 491456028 /nfs/dbraw/zinc/45/60/28/491456028.db2.gz FDUFCVTYRZLLFE-UYAOXDASSA-N 2 1 371.529 0.609 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000573806393 491456030 /nfs/dbraw/zinc/45/60/30/491456030.db2.gz FDUFCVTYRZLLFE-UYAOXDASSA-N 2 1 371.529 0.609 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000573960059 491465519 /nfs/dbraw/zinc/46/55/19/491465519.db2.gz ZOXCLBIWMQWEAS-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000573960059 491465522 /nfs/dbraw/zinc/46/55/22/491465522.db2.gz ZOXCLBIWMQWEAS-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000573960059 491465525 /nfs/dbraw/zinc/46/55/25/491465525.db2.gz ZOXCLBIWMQWEAS-XHSDSOJGSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000573960058 491465544 /nfs/dbraw/zinc/46/55/44/491465544.db2.gz ZOXCLBIWMQWEAS-OAGGEKHMSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000573960058 491465547 /nfs/dbraw/zinc/46/55/47/491465547.db2.gz ZOXCLBIWMQWEAS-OAGGEKHMSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000573960058 491465550 /nfs/dbraw/zinc/46/55/50/491465550.db2.gz ZOXCLBIWMQWEAS-OAGGEKHMSA-N 2 1 350.507 0.822 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000559352161 491466566 /nfs/dbraw/zinc/46/65/66/491466566.db2.gz DSHZNHZEEULJPI-UHFFFAOYSA-N 2 1 356.511 0.261 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000559379487 491468568 /nfs/dbraw/zinc/46/85/68/491468568.db2.gz NWWYGOJXIVGKQI-MRXNPFEDSA-N 2 1 356.511 0.306 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559443995 491473975 /nfs/dbraw/zinc/47/39/75/491473975.db2.gz DIOKDJPVXJPWFC-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566904862 491474338 /nfs/dbraw/zinc/47/43/38/491474338.db2.gz YIXAUWSQKVTJEH-OTWHNJEPSA-N 2 1 357.502 0.663 20 0 FCADMP CC1CCC(NC(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)CC1 ZINC000567053274 491483158 /nfs/dbraw/zinc/48/31/58/491483158.db2.gz XXDHCKILJXDHJU-UHFFFAOYSA-N 2 1 351.539 0.204 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000567095705 491485352 /nfs/dbraw/zinc/48/53/52/491485352.db2.gz VCJHAVBJOVOHMN-QGZVFWFLSA-N 2 1 373.501 0.873 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398050 491493417 /nfs/dbraw/zinc/49/34/17/491493417.db2.gz ZJHXEBRFBQGVCR-JKSUJKDBSA-N 2 1 363.510 0.034 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000567455377 491507174 /nfs/dbraw/zinc/50/71/74/491507174.db2.gz JRDUSCAHYPHHDW-KGLIPLIRSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000567455377 491507177 /nfs/dbraw/zinc/50/71/77/491507177.db2.gz JRDUSCAHYPHHDW-KGLIPLIRSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567481334 491508423 /nfs/dbraw/zinc/50/84/23/491508423.db2.gz OQXRUJPURQOZHX-BRWVUGGUSA-N 2 1 374.485 0.311 20 0 FCADMP CCC[C@@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000574640888 491510002 /nfs/dbraw/zinc/51/00/02/491510002.db2.gz OGGMEASAMXBJJY-QGZVFWFLSA-N 2 1 363.506 0.921 20 0 FCADMP CCS(=O)(=O)N(C)C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000574692136 491513724 /nfs/dbraw/zinc/51/37/24/491513724.db2.gz PXVJBSHYDFARCJ-ROUUACIJSA-N 2 1 369.531 0.663 20 0 FCADMP COC(=O)[C@](C)(O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000574839277 491523316 /nfs/dbraw/zinc/52/33/16/491523316.db2.gz IBRQTNILPJCCDE-IIDMSEBBSA-N 2 1 358.479 0.501 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574868562 491524746 /nfs/dbraw/zinc/52/47/46/491524746.db2.gz BSJDARANXJNLCJ-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000574878642 491525479 /nfs/dbraw/zinc/52/54/79/491525479.db2.gz VRRONYICIYKXMU-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000574907705 491527004 /nfs/dbraw/zinc/52/70/04/491527004.db2.gz GJLFIRSLGQOIMI-KRWDZBQOSA-N 2 1 359.474 0.931 20 0 FCADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000574907705 491527006 /nfs/dbraw/zinc/52/70/06/491527006.db2.gz GJLFIRSLGQOIMI-KRWDZBQOSA-N 2 1 359.474 0.931 20 0 FCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000575101118 491539391 /nfs/dbraw/zinc/53/93/91/491539391.db2.gz TXVJDQXACPZLIA-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000575101118 491539393 /nfs/dbraw/zinc/53/93/93/491539393.db2.gz TXVJDQXACPZLIA-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000567909573 491540786 /nfs/dbraw/zinc/54/07/86/491540786.db2.gz HBJJHGWEFGBFNA-QGZVFWFLSA-N 2 1 366.506 0.206 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000575174407 491543750 /nfs/dbraw/zinc/54/37/50/491543750.db2.gz DPDAZJONGXHNKZ-UHFFFAOYSA-N 2 1 374.485 0.840 20 0 FCADMP C[N@@H+]1CCC[C@H](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000560568571 491545351 /nfs/dbraw/zinc/54/53/51/491545351.db2.gz ODEPEMNFDHRESM-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000560568571 491545353 /nfs/dbraw/zinc/54/53/53/491545353.db2.gz ODEPEMNFDHRESM-QGZVFWFLSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCCO1 ZINC000575198094 491545627 /nfs/dbraw/zinc/54/56/27/491545627.db2.gz LZKMGPVWNFGSIG-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)CCCO1 ZINC000575198094 491545630 /nfs/dbraw/zinc/54/56/30/491545630.db2.gz LZKMGPVWNFGSIG-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)CCCO1 ZINC000575198094 491545633 /nfs/dbraw/zinc/54/56/33/491545633.db2.gz LZKMGPVWNFGSIG-SFHVURJKSA-N 2 1 369.554 0.814 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000560667844 491551569 /nfs/dbraw/zinc/55/15/69/491551569.db2.gz WFXNRZLNYHRNAW-INIZCTEOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000560667844 491551571 /nfs/dbraw/zinc/55/15/71/491551571.db2.gz WFXNRZLNYHRNAW-INIZCTEOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000560667844 491551572 /nfs/dbraw/zinc/55/15/72/491551572.db2.gz WFXNRZLNYHRNAW-INIZCTEOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000560670138 491551901 /nfs/dbraw/zinc/55/19/01/491551901.db2.gz OMKTXZWWUMFEJX-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@](C)(O)C(=O)OC)CC2)CC1 ZINC000568209163 491559296 /nfs/dbraw/zinc/55/92/96/491559296.db2.gz PJLKHKHKZRTIGH-SFHVURJKSA-N 2 1 355.479 0.223 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000560883879 491561511 /nfs/dbraw/zinc/56/15/11/491561511.db2.gz FZVUQJHOLDEQAU-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000560883879 491561512 /nfs/dbraw/zinc/56/15/12/491561512.db2.gz FZVUQJHOLDEQAU-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884323 491561535 /nfs/dbraw/zinc/56/15/35/491561535.db2.gz MGRUPERXTNRQSJ-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884323 491561536 /nfs/dbraw/zinc/56/15/36/491561536.db2.gz MGRUPERXTNRQSJ-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288173 491567029 /nfs/dbraw/zinc/56/70/29/491567029.db2.gz WDONRKPTRPVHHZ-BZZMCLGOSA-N 2 1 371.485 0.603 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000561012536 491570589 /nfs/dbraw/zinc/57/05/89/491570589.db2.gz IBTKYDNUUDUEMS-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000561012536 491570590 /nfs/dbraw/zinc/57/05/90/491570590.db2.gz IBTKYDNUUDUEMS-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000561012536 491570591 /nfs/dbraw/zinc/57/05/91/491570591.db2.gz IBTKYDNUUDUEMS-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000561012536 491570592 /nfs/dbraw/zinc/57/05/92/491570592.db2.gz IBTKYDNUUDUEMS-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP Cc1ncc2n1C[C@H](C(=O)NC1CCN([C@@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928121 491570945 /nfs/dbraw/zinc/57/09/45/491570945.db2.gz BFRXLSXKDCFNHY-RHSMWYFYSA-N 2 1 359.474 0.565 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000568373613 491572135 /nfs/dbraw/zinc/57/21/35/491572135.db2.gz OIDAMCADESIHFY-HOTGVXAUSA-N 2 1 366.506 0.333 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000568383037 491573231 /nfs/dbraw/zinc/57/32/31/491573231.db2.gz YHKLBEQIKNBXTC-QGZVFWFLSA-N 2 1 369.893 0.971 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000576146879 491586004 /nfs/dbraw/zinc/58/60/04/491586004.db2.gz JSQNJZZOQSJWBA-ZBFHGGJFSA-N 2 1 358.442 0.580 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000584396558 491586056 /nfs/dbraw/zinc/58/60/56/491586056.db2.gz RIJFJTWHEGADIX-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000568608992 491590934 /nfs/dbraw/zinc/59/09/34/491590934.db2.gz RAQMIIRAPUOWNW-ZBFHGGJFSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000576233924 491595945 /nfs/dbraw/zinc/59/59/45/491595945.db2.gz OBVVVKIIPYKGFA-HYVNUMGLSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000576293248 491602302 /nfs/dbraw/zinc/60/23/02/491602302.db2.gz NXJBPPATVIQWIU-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000577280943 491609636 /nfs/dbraw/zinc/60/96/36/491609636.db2.gz DGCRUVISQLLJKT-DLBZAZTESA-N 2 1 366.506 0.348 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000568866848 491615397 /nfs/dbraw/zinc/61/53/97/491615397.db2.gz KKRICPIWEZNGEZ-GOSISDBHSA-N 2 1 372.469 0.942 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000561596751 491620325 /nfs/dbraw/zinc/62/03/25/491620325.db2.gz PAORIHGSBYLRAI-OAHLLOKOSA-N 2 1 368.522 0.545 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000577515066 491628179 /nfs/dbraw/zinc/62/81/79/491628179.db2.gz SRTHTHJNIMAQEA-BBWFWOEESA-N 2 1 366.506 0.333 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000569094990 491633029 /nfs/dbraw/zinc/63/30/29/491633029.db2.gz IDJKPEZGVHNRMF-BBWFWOEESA-N 2 1 364.494 0.213 20 0 FCADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703535 491637209 /nfs/dbraw/zinc/63/72/09/491637209.db2.gz JYZQOCDISXXDKP-JKSUJKDBSA-N 2 1 366.458 0.837 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000576727856 491639756 /nfs/dbraw/zinc/63/97/56/491639756.db2.gz FXVGMRPXVLYUKL-KRWDZBQOSA-N 2 1 374.485 0.697 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724957 491645811 /nfs/dbraw/zinc/64/58/11/491645811.db2.gz RHLMNFYTEVPABN-IRXDYDNUSA-N 2 1 365.522 0.572 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000562001787 491646510 /nfs/dbraw/zinc/64/65/10/491646510.db2.gz PVBBCHSPRSCECH-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000577727831 491646747 /nfs/dbraw/zinc/64/67/47/491646747.db2.gz YVDCEMQBTOXVMX-INIZCTEOSA-N 2 1 362.474 0.957 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@H]2CC[C@@H](C)C2)C1 ZINC000562038152 491649970 /nfs/dbraw/zinc/64/99/70/491649970.db2.gz LLDABTCZUGDYGA-FGTMMUONSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)C1 ZINC000562038152 491649974 /nfs/dbraw/zinc/64/99/74/491649974.db2.gz LLDABTCZUGDYGA-FGTMMUONSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)C1 ZINC000562038152 491649977 /nfs/dbraw/zinc/64/99/77/491649977.db2.gz LLDABTCZUGDYGA-FGTMMUONSA-N 2 1 355.523 0.942 20 0 FCADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NC1C[NH2+]C1 ZINC000569336404 491653219 /nfs/dbraw/zinc/65/32/19/491653219.db2.gz IHWGELHTJVJFFZ-HNNXBMFYSA-N 2 1 350.850 0.681 20 0 FCADMP O=C(N1CCN(c2[nH]cc[nH+]2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569376925 491657509 /nfs/dbraw/zinc/65/75/09/491657509.db2.gz KKIHVPVTOXZIQZ-IBGZPJMESA-N 2 1 355.442 0.695 20 0 FCADMP O=C(N1CCN(c2[nH]cc[nH+]2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569376925 491657511 /nfs/dbraw/zinc/65/75/11/491657511.db2.gz KKIHVPVTOXZIQZ-IBGZPJMESA-N 2 1 355.442 0.695 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000569411427 491659788 /nfs/dbraw/zinc/65/97/88/491659788.db2.gz IEJLSNPGIROKAE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000569411427 491659792 /nfs/dbraw/zinc/65/97/92/491659792.db2.gz IEJLSNPGIROKAE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000569411427 491659793 /nfs/dbraw/zinc/65/97/93/491659793.db2.gz IEJLSNPGIROKAE-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000578193552 491671941 /nfs/dbraw/zinc/67/19/41/491671941.db2.gz GNVXSRQQDVVFBC-MRXNPFEDSA-N 2 1 367.515 0.946 20 0 FCADMP Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000578193552 491671942 /nfs/dbraw/zinc/67/19/42/491671942.db2.gz GNVXSRQQDVVFBC-MRXNPFEDSA-N 2 1 367.515 0.946 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000578464368 491677916 /nfs/dbraw/zinc/67/79/16/491677916.db2.gz PYDKKTXUYBTMEW-ULQDDVLXSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000578464368 491677917 /nfs/dbraw/zinc/67/79/17/491677917.db2.gz PYDKKTXUYBTMEW-ULQDDVLXSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000578464368 491677918 /nfs/dbraw/zinc/67/79/18/491677918.db2.gz PYDKKTXUYBTMEW-ULQDDVLXSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000578464368 491677919 /nfs/dbraw/zinc/67/79/19/491677919.db2.gz PYDKKTXUYBTMEW-ULQDDVLXSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000578497674 491678420 /nfs/dbraw/zinc/67/84/20/491678420.db2.gz UDRFUPNGAODJLF-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578607496 491680596 /nfs/dbraw/zinc/68/05/96/491680596.db2.gz XNURXFCDSXMEDX-INIZCTEOSA-N 2 1 354.495 0.206 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578607496 491680597 /nfs/dbraw/zinc/68/05/97/491680597.db2.gz XNURXFCDSXMEDX-INIZCTEOSA-N 2 1 354.495 0.206 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000579091397 491690685 /nfs/dbraw/zinc/69/06/85/491690685.db2.gz SPJBEEQHVFFSMG-RBUKOAKNSA-N 2 1 374.533 0.981 20 0 FCADMP [NH3+][C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 ZINC000579109127 491691154 /nfs/dbraw/zinc/69/11/54/491691154.db2.gz ODFVGQZCXMROLP-ZWKOTPCHSA-N 2 1 374.485 0.516 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000579232543 491693583 /nfs/dbraw/zinc/69/35/83/491693583.db2.gz GSJFUHRTJUKCPD-QGZVFWFLSA-N 2 1 366.506 0.206 20 0 FCADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359988 491696398 /nfs/dbraw/zinc/69/63/98/491696398.db2.gz YYNQVNMJMIPGBH-QZTJIDSGSA-N 2 1 372.517 0.979 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000579456240 491698139 /nfs/dbraw/zinc/69/81/39/491698139.db2.gz HGVLIZSEQOBKRY-LSDHHAIUSA-N 2 1 364.494 0.461 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000579931226 491709366 /nfs/dbraw/zinc/70/93/66/491709366.db2.gz UTFGYXMIEMSUOL-DLBZAZTESA-N 2 1 353.511 0.032 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000579931229 491709755 /nfs/dbraw/zinc/70/97/55/491709755.db2.gz UTFGYXMIEMSUOL-SJORKVTESA-N 2 1 353.511 0.032 20 0 FCADMP CCC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000584723476 491711653 /nfs/dbraw/zinc/71/16/53/491711653.db2.gz XFHMRYSTLWPLKH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000580058039 491715293 /nfs/dbraw/zinc/71/52/93/491715293.db2.gz RTSRTEIUZZAXMG-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584807884 491715511 /nfs/dbraw/zinc/71/55/11/491715511.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715512 /nfs/dbraw/zinc/71/55/12/491715512.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715513 /nfs/dbraw/zinc/71/55/13/491715513.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584807886 491715535 /nfs/dbraw/zinc/71/55/35/491715535.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715536 /nfs/dbraw/zinc/71/55/36/491715536.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715538 /nfs/dbraw/zinc/71/55/38/491715538.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 2 1 368.566 0.291 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000580253876 491723233 /nfs/dbraw/zinc/72/32/33/491723233.db2.gz ADMIFAYRRFMUFE-MRXNPFEDSA-N 2 1 370.563 0.636 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000580253876 491723235 /nfs/dbraw/zinc/72/32/35/491723235.db2.gz ADMIFAYRRFMUFE-MRXNPFEDSA-N 2 1 370.563 0.636 20 0 FCADMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000580319921 491726090 /nfs/dbraw/zinc/72/60/90/491726090.db2.gz FFONEBLXMBAPMZ-INIZCTEOSA-N 2 1 366.506 0.347 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589219130 491757332 /nfs/dbraw/zinc/75/73/32/491757332.db2.gz BRYBOQRYNJHHQT-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000581122436 491760180 /nfs/dbraw/zinc/76/01/80/491760180.db2.gz NDWFFTSLLSDGQJ-UUAJXVIYSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000581122436 491760181 /nfs/dbraw/zinc/76/01/81/491760181.db2.gz NDWFFTSLLSDGQJ-UUAJXVIYSA-N 2 1 366.506 0.343 20 0 FCADMP CSc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000581365520 491770029 /nfs/dbraw/zinc/77/00/29/491770029.db2.gz VBLVLWVWQHJNDK-HNNXBMFYSA-N 2 1 367.515 0.902 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581500296 491775543 /nfs/dbraw/zinc/77/55/43/491775543.db2.gz MRIFWGZZHOSEHE-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581500296 491775545 /nfs/dbraw/zinc/77/55/45/491775545.db2.gz MRIFWGZZHOSEHE-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000581502682 491775655 /nfs/dbraw/zinc/77/56/55/491775655.db2.gz AQSYZDXTMYDJSJ-HNNXBMFYSA-N 2 1 350.507 0.824 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(C)C)CC1 ZINC000581534588 491776513 /nfs/dbraw/zinc/77/65/13/491776513.db2.gz PQLDGKBZQWJERU-INIZCTEOSA-N 2 1 361.490 0.989 20 0 FCADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000590751318 491785290 /nfs/dbraw/zinc/78/52/90/491785290.db2.gz PCCLRRRSOBWZJV-XHSDSOJGSA-N 2 1 355.479 0.391 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835866 491787080 /nfs/dbraw/zinc/78/70/80/491787080.db2.gz MJGHEJRAGQJEOT-RCCFBDPRSA-N 2 1 372.469 0.048 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835866 491787081 /nfs/dbraw/zinc/78/70/81/491787081.db2.gz MJGHEJRAGQJEOT-RCCFBDPRSA-N 2 1 372.469 0.048 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000590954136 491789997 /nfs/dbraw/zinc/78/99/97/491789997.db2.gz UZPMXFXPFKIZDJ-SFHVURJKSA-N 2 1 369.554 0.670 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000591411744 491805086 /nfs/dbraw/zinc/80/50/86/491805086.db2.gz INJWTPCSXLAGTE-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000591411744 491805087 /nfs/dbraw/zinc/80/50/87/491805087.db2.gz INJWTPCSXLAGTE-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000591411744 491805089 /nfs/dbraw/zinc/80/50/89/491805089.db2.gz INJWTPCSXLAGTE-PMPSAXMXSA-N 2 1 351.495 0.500 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000591561360 491808467 /nfs/dbraw/zinc/80/84/67/491808467.db2.gz HXRCFSBSCCNNRV-MRXNPFEDSA-N 2 1 353.511 0.616 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000582563723 491818006 /nfs/dbraw/zinc/81/80/06/491818006.db2.gz OMDZRZUYKBWTBZ-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668814 491821823 /nfs/dbraw/zinc/82/18/23/491821823.db2.gz MFMRLMFENJMCCJ-WTTBNOFXSA-N 2 1 363.506 0.606 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932887 491832911 /nfs/dbraw/zinc/83/29/11/491832911.db2.gz WOZXQXLZACXNKB-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583156811 491839313 /nfs/dbraw/zinc/83/93/13/491839313.db2.gz HUGNMTMDMXUWPI-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583156811 491839314 /nfs/dbraw/zinc/83/93/14/491839314.db2.gz HUGNMTMDMXUWPI-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850459 491853306 /nfs/dbraw/zinc/85/33/06/491853306.db2.gz MWTXLVWGYVKXFR-DZGCQCFKSA-N 2 1 359.492 0.266 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1[NH3+] ZINC000584226605 491860981 /nfs/dbraw/zinc/86/09/81/491860981.db2.gz CHUWXHHXDCDIIL-DZJNRPSUSA-N 2 1 356.470 0.525 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000611638915 491864410 /nfs/dbraw/zinc/86/44/10/491864410.db2.gz YFIPZKHAVFJDQL-RHSMWYFYSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000611638351 491864479 /nfs/dbraw/zinc/86/44/79/491864479.db2.gz SKRCDUDSNNNULR-UNEWFSDZSA-N 2 1 364.490 0.097 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1Br ZINC000594878028 491870289 /nfs/dbraw/zinc/87/02/89/491870289.db2.gz BENOGKNGKFJPBJ-ZWKOPEQDSA-N 2 1 367.247 0.219 20 0 FCADMP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601471986 491925116 /nfs/dbraw/zinc/92/51/16/491925116.db2.gz BNOOKZLGQWDOHD-KRWDZBQOSA-N 2 1 374.485 0.791 20 0 FCADMP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601471986 491925119 /nfs/dbraw/zinc/92/51/19/491925119.db2.gz BNOOKZLGQWDOHD-KRWDZBQOSA-N 2 1 374.485 0.791 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542461 491930598 /nfs/dbraw/zinc/93/05/98/491930598.db2.gz IVCDHYDCBXZTOR-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542461 491930600 /nfs/dbraw/zinc/93/06/00/491930600.db2.gz IVCDHYDCBXZTOR-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000612542461 491930601 /nfs/dbraw/zinc/93/06/01/491930601.db2.gz IVCDHYDCBXZTOR-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000612547960 491932494 /nfs/dbraw/zinc/93/24/94/491932494.db2.gz JCCGBOXCAZDLRG-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546879 491932560 /nfs/dbraw/zinc/93/25/60/491932560.db2.gz WUSSXBXNQHRLNQ-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546880 491932754 /nfs/dbraw/zinc/93/27/54/491932754.db2.gz WUSSXBXNQHRLNQ-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599629 491937937 /nfs/dbraw/zinc/93/79/37/491937937.db2.gz ZQSMTANEXCCTSS-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602194408 491966783 /nfs/dbraw/zinc/96/67/83/491966783.db2.gz KNNNQDWLMZZUFH-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659983 491990105 /nfs/dbraw/zinc/99/01/05/491990105.db2.gz GHDJALSNWXFTMU-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000602530819 491992295 /nfs/dbraw/zinc/99/22/95/491992295.db2.gz MATSXMZIMCYUEK-OAHLLOKOSA-N 2 1 361.490 0.552 20 0 FCADMP COC(=O)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)n1C ZINC000602670065 491995091 /nfs/dbraw/zinc/99/50/91/491995091.db2.gz MIJSWBCBPRLEKQ-UHFFFAOYSA-N 2 1 350.463 0.894 20 0 FCADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)NC(=O)NCC(F)(F)F ZINC000602846412 492000695 /nfs/dbraw/zinc/00/06/95/492000695.db2.gz PTODEGZJZNZRBS-UHFFFAOYSA-N 2 1 359.352 0.982 20 0 FCADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)NC(=O)NCC(F)(F)F ZINC000602846412 492000696 /nfs/dbraw/zinc/00/06/96/492000696.db2.gz PTODEGZJZNZRBS-UHFFFAOYSA-N 2 1 359.352 0.982 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000603657665 492039517 /nfs/dbraw/zinc/03/95/17/492039517.db2.gz VLTUOPPYIBCGGG-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604388472 492059801 /nfs/dbraw/zinc/05/98/01/492059801.db2.gz FAWAQOLEOBHRNC-LJQANCHMSA-N 2 1 365.566 0.687 20 0 FCADMP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604632829 492065391 /nfs/dbraw/zinc/06/53/91/492065391.db2.gz FVOWMRXAJPSEOC-KRWDZBQOSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000615089650 492071988 /nfs/dbraw/zinc/07/19/88/492071988.db2.gz LYDHMPRQVYOMFC-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)CC1=O ZINC000615311484 492085685 /nfs/dbraw/zinc/08/56/85/492085685.db2.gz ZWRSHVBFILTXAD-VQHPVUNQSA-N 2 1 350.507 0.870 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000605879553 492104549 /nfs/dbraw/zinc/10/45/49/492104549.db2.gz LDWCZHKLHFNVRK-CVEARBPZSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000605879553 492104552 /nfs/dbraw/zinc/10/45/52/492104552.db2.gz LDWCZHKLHFNVRK-CVEARBPZSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000605879553 492104555 /nfs/dbraw/zinc/10/45/55/492104555.db2.gz LDWCZHKLHFNVRK-CVEARBPZSA-N 2 1 351.495 0.357 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000607229440 492141681 /nfs/dbraw/zinc/14/16/81/492141681.db2.gz YQPDPUFOFMIAHZ-CALCHBBNSA-N 3 1 357.543 0.621 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000607229440 492141682 /nfs/dbraw/zinc/14/16/82/492141682.db2.gz YQPDPUFOFMIAHZ-CALCHBBNSA-N 2 1 357.543 0.621 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000607229603 492141781 /nfs/dbraw/zinc/14/17/81/492141781.db2.gz PFOZNOMTPSQDBX-INIZCTEOSA-N 2 1 356.511 0.489 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250022 492148922 /nfs/dbraw/zinc/14/89/22/492148922.db2.gz HWKHQYOEMXAURV-MRXNPFEDSA-N 2 1 365.478 0.544 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000607721407 492150015 /nfs/dbraw/zinc/15/00/15/492150015.db2.gz ICEXZJDFVXQXAD-OAHLLOKOSA-N 2 1 350.467 0.773 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(N3CCCC3=O)CC2)C1=O ZINC000608017651 492162664 /nfs/dbraw/zinc/16/26/64/492162664.db2.gz PDCHJLUTKCGMCM-OAHLLOKOSA-N 2 1 350.463 0.152 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691435 492187523 /nfs/dbraw/zinc/18/75/23/492187523.db2.gz SRFDEBODSDIQLB-GDBMZVCRSA-N 2 1 353.511 0.603 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654379030 492296309 /nfs/dbraw/zinc/29/63/09/492296309.db2.gz MJXNGXHFKAEKSC-JKSUJKDBSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654379030 492296312 /nfs/dbraw/zinc/29/63/12/492296312.db2.gz MJXNGXHFKAEKSC-JKSUJKDBSA-N 2 1 351.495 0.513 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641736766 492300985 /nfs/dbraw/zinc/30/09/85/492300985.db2.gz KOFXUNWZXDOBCW-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552650 492303798 /nfs/dbraw/zinc/30/37/98/492303798.db2.gz OPORLZAZMMLITI-MSOLQXFVSA-N 2 1 358.486 0.822 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641782395 492305220 /nfs/dbraw/zinc/30/52/20/492305220.db2.gz BJINADSHHXHOPT-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000641782395 492305223 /nfs/dbraw/zinc/30/52/23/492305223.db2.gz BJINADSHHXHOPT-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC1 ZINC000641782395 492305224 /nfs/dbraw/zinc/30/52/24/492305224.db2.gz BJINADSHHXHOPT-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000647561167 492308809 /nfs/dbraw/zinc/30/88/09/492308809.db2.gz APTMJCXEFKNVRV-MRXNPFEDSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000647561167 492308812 /nfs/dbraw/zinc/30/88/12/492308812.db2.gz APTMJCXEFKNVRV-MRXNPFEDSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825714 492311244 /nfs/dbraw/zinc/31/12/44/492311244.db2.gz WTQBAFAHHQRZMS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC000641825714 492311246 /nfs/dbraw/zinc/31/12/46/492311246.db2.gz WTQBAFAHHQRZMS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)(N2CCOCC2)CC1 ZINC000641829057 492312213 /nfs/dbraw/zinc/31/22/13/492312213.db2.gz AXOPNTLOTWHWFM-UHFFFAOYSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H](C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000620478557 492312400 /nfs/dbraw/zinc/31/24/00/492312400.db2.gz XYKDXCBFUBSAIT-KSZLIROESA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H](C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000620478557 492312401 /nfs/dbraw/zinc/31/24/01/492312401.db2.gz XYKDXCBFUBSAIT-KSZLIROESA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478557 492312407 /nfs/dbraw/zinc/31/24/07/492312407.db2.gz XYKDXCBFUBSAIT-KSZLIROESA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H](C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478557 492312411 /nfs/dbraw/zinc/31/24/11/492312411.db2.gz XYKDXCBFUBSAIT-KSZLIROESA-N 2 1 353.507 0.933 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567278 492313556 /nfs/dbraw/zinc/31/35/56/492313556.db2.gz POLYMPAFKVQRNJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567278 492313560 /nfs/dbraw/zinc/31/35/60/492313560.db2.gz POLYMPAFKVQRNJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567278 492313563 /nfs/dbraw/zinc/31/35/63/492313563.db2.gz POLYMPAFKVQRNJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647569034 492317890 /nfs/dbraw/zinc/31/78/90/492317890.db2.gz ZCODJGUXOINNAX-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000627507446 492326592 /nfs/dbraw/zinc/32/65/92/492326592.db2.gz SVPCACGSMTURBT-YFHUEUNASA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000627507446 492326596 /nfs/dbraw/zinc/32/65/96/492326596.db2.gz SVPCACGSMTURBT-YFHUEUNASA-N 2 1 358.486 0.974 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000642076236 492331693 /nfs/dbraw/zinc/33/16/93/492331693.db2.gz OPWUNFMRIZXHMF-UHFFFAOYSA-N 2 1 352.479 0.006 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000642195247 492340147 /nfs/dbraw/zinc/34/01/47/492340147.db2.gz SERHJHQDVOYSFS-XSLAGTTESA-N 2 1 356.470 0.616 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000642253991 492345377 /nfs/dbraw/zinc/34/53/77/492345377.db2.gz VGJFDMLKZLBTFB-KBAYOESNSA-N 2 1 358.486 0.820 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000654736556 492345878 /nfs/dbraw/zinc/34/58/78/492345878.db2.gz AYBJMNXFMYQOIX-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000647698389 492347000 /nfs/dbraw/zinc/34/70/00/492347000.db2.gz YPAOTYPJDPJOFE-NRFANRHFSA-N 2 1 372.513 0.377 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000642321278 492350528 /nfs/dbraw/zinc/35/05/28/492350528.db2.gz UALMNZDMRJICKV-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330387 492351697 /nfs/dbraw/zinc/35/16/97/492351697.db2.gz DAIVEZAVQHSNJQ-NPJQDHAYSA-N 2 1 354.495 0.044 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345404 492353306 /nfs/dbraw/zinc/35/33/06/492353306.db2.gz LMMQXECJASFYLD-HNNXBMFYSA-N 2 1 365.522 0.049 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345404 492353310 /nfs/dbraw/zinc/35/33/10/492353310.db2.gz LMMQXECJASFYLD-HNNXBMFYSA-N 2 1 365.522 0.049 20 0 FCADMP CC(C)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000621152821 492359231 /nfs/dbraw/zinc/35/92/31/492359231.db2.gz FLKZYPIFPQQFAS-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642495872 492359845 /nfs/dbraw/zinc/35/98/45/492359845.db2.gz ZCHUBKAVBNGFDG-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000642522223 492361838 /nfs/dbraw/zinc/36/18/38/492361838.db2.gz UGIBCBXDCXPYCA-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642550345 492363886 /nfs/dbraw/zinc/36/38/86/492363886.db2.gz AMASLAZCYGKHFV-CEXWTWQISA-N 2 1 370.497 0.978 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640656 492368441 /nfs/dbraw/zinc/36/84/41/492368441.db2.gz FFKRFDSRNZYNEO-XOYOTBSWSA-N 2 1 358.486 0.867 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642645036 492370217 /nfs/dbraw/zinc/37/02/17/492370217.db2.gz GCSAADZBWIDGIJ-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000642693053 492374398 /nfs/dbraw/zinc/37/43/98/492374398.db2.gz MZUZCSCUTKFKFQ-RVKKMQEKSA-N 2 1 374.485 0.124 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000642693053 492374401 /nfs/dbraw/zinc/37/44/01/492374401.db2.gz MZUZCSCUTKFKFQ-RVKKMQEKSA-N 2 1 374.485 0.124 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642693138 492374609 /nfs/dbraw/zinc/37/46/09/492374609.db2.gz XNUYJQRSNNGOIA-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000642693138 492374611 /nfs/dbraw/zinc/37/46/11/492374611.db2.gz XNUYJQRSNNGOIA-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728578 492380691 /nfs/dbraw/zinc/38/06/91/492380691.db2.gz IOACIUDQKIFTOG-HOCLYGCPSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728578 492380694 /nfs/dbraw/zinc/38/06/94/492380694.db2.gz IOACIUDQKIFTOG-HOCLYGCPSA-N 2 1 354.495 0.250 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccsc1 ZINC000642731653 492381464 /nfs/dbraw/zinc/38/14/64/492381464.db2.gz AERRKYYVFZNRSW-NWANDNLSSA-N 2 1 350.488 0.677 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728592 492381530 /nfs/dbraw/zinc/38/15/30/492381530.db2.gz KEGKALBEWVUSBD-HZMVEIRTSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728592 492381533 /nfs/dbraw/zinc/38/15/33/492381533.db2.gz KEGKALBEWVUSBD-HZMVEIRTSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729524 492381850 /nfs/dbraw/zinc/38/18/50/492381850.db2.gz TUQGTVZXWRDAHP-PVAVHDDUSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729524 492381853 /nfs/dbraw/zinc/38/18/53/492381853.db2.gz TUQGTVZXWRDAHP-PVAVHDDUSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000642733047 492382948 /nfs/dbraw/zinc/38/29/48/492382948.db2.gz TTYPVGDNZMHVOT-YJBOKZPZSA-N 2 1 374.485 0.126 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744841 492384937 /nfs/dbraw/zinc/38/49/37/492384937.db2.gz DECUKLBNVAAGMI-RDJZCZTQSA-N 2 1 362.474 0.070 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744841 492384942 /nfs/dbraw/zinc/38/49/42/492384942.db2.gz DECUKLBNVAAGMI-RDJZCZTQSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642744045 492385375 /nfs/dbraw/zinc/38/53/75/492385375.db2.gz SOUWKHPZSAGKFM-INIZCTEOSA-N 2 1 373.501 0.182 20 0 FCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000647937333 492385719 /nfs/dbraw/zinc/38/57/19/492385719.db2.gz VZAZWOQUZTWECF-NVXWUHKLSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1[NH3+] ZINC000647937333 492385722 /nfs/dbraw/zinc/38/57/22/492385722.db2.gz VZAZWOQUZTWECF-NVXWUHKLSA-N 2 1 350.507 0.907 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)c(N2CCCC2)[nH+]1 ZINC000642778675 492389099 /nfs/dbraw/zinc/38/90/99/492389099.db2.gz BYDXMIFYTCSGFV-UHFFFAOYSA-N 2 1 359.474 0.804 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778963 492389331 /nfs/dbraw/zinc/38/93/31/492389331.db2.gz TZWBALMDVQUUTI-HUUCEWRRSA-N 2 1 359.474 0.802 20 0 FCADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977764 492390003 /nfs/dbraw/zinc/39/00/03/492390003.db2.gz HFUZVWHXIJKPAV-JKSUJKDBSA-N 2 1 374.551 0.096 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000655038962 492394828 /nfs/dbraw/zinc/39/48/28/492394828.db2.gz STIVGYHDPPUXJN-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@](C)(C(N)=O)C3)CC2)CC1 ZINC000655045657 492395562 /nfs/dbraw/zinc/39/55/62/492395562.db2.gz NEGOITXQBPRXRJ-LJQANCHMSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Cc1ccc(F)cc1 ZINC000642808938 492396682 /nfs/dbraw/zinc/39/66/82/492396682.db2.gz KTFGPYUMRHSWBQ-UHFFFAOYSA-N 2 1 350.438 0.714 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)C1 ZINC000642889231 492397224 /nfs/dbraw/zinc/39/72/24/492397224.db2.gz DDOURNSGZDWVSF-MRXNPFEDSA-N 2 1 365.522 0.003 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642940944 492405453 /nfs/dbraw/zinc/40/54/53/492405453.db2.gz NBAVKLZZMUAVIG-WBVHZDCISA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642940944 492405459 /nfs/dbraw/zinc/40/54/59/492405459.db2.gz NBAVKLZZMUAVIG-WBVHZDCISA-N 2 1 367.538 0.103 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958473 492406898 /nfs/dbraw/zinc/40/68/98/492406898.db2.gz AJJZJGUHOZZFOA-HOCLYGCPSA-N 2 1 366.506 0.693 20 0 FCADMP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150490 492408569 /nfs/dbraw/zinc/40/85/69/492408569.db2.gz BHQXOMDDZVYAQV-INIZCTEOSA-N 2 1 366.506 0.062 20 0 FCADMP CCC[C@@](C)([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152488 492409036 /nfs/dbraw/zinc/40/90/36/492409036.db2.gz OOTKMYOSZTZGLN-LJQANCHMSA-N 2 1 367.538 0.201 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979906 492409572 /nfs/dbraw/zinc/40/95/72/492409572.db2.gz OOQRSAQGYPLXKR-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000642980341 492410412 /nfs/dbraw/zinc/41/04/12/492410412.db2.gz AKNHKVXJIPIVKE-OAHLLOKOSA-N 2 1 364.515 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000642989651 492411677 /nfs/dbraw/zinc/41/16/77/492411677.db2.gz BSHQYPJRDHXADV-BPKGMFCQSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000642989651 492411680 /nfs/dbraw/zinc/41/16/80/492411680.db2.gz BSHQYPJRDHXADV-BPKGMFCQSA-N 2 1 366.506 0.343 20 0 FCADMP O=C([C@H]1C[NH2+]CCOC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000648179139 492412901 /nfs/dbraw/zinc/41/29/01/492412901.db2.gz GERDGAOMQKQYNC-INIZCTEOSA-N 2 1 361.490 0.819 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642991946 492413159 /nfs/dbraw/zinc/41/31/59/492413159.db2.gz CFSCTDQCTCWOAB-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC000621838265 492421412 /nfs/dbraw/zinc/42/14/12/492421412.db2.gz BCMQMXHMEYJHOH-CUYVQJCZSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000621839506 492422595 /nfs/dbraw/zinc/42/25/95/492422595.db2.gz UHTUNBNNRMMVBM-WRWLIDTKSA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000621840172 492423310 /nfs/dbraw/zinc/42/33/10/492423310.db2.gz FCSCUBOFOKWRHS-FXAWDEMLSA-N 2 1 356.470 0.501 20 0 FCADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000621840172 492423313 /nfs/dbraw/zinc/42/33/13/492423313.db2.gz FCSCUBOFOKWRHS-FXAWDEMLSA-N 2 1 356.470 0.501 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621844082 492424628 /nfs/dbraw/zinc/42/46/28/492424628.db2.gz OVIJUPADANVFBZ-NKMKZGIRSA-N 2 1 370.497 0.963 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845808 492426056 /nfs/dbraw/zinc/42/60/56/492426056.db2.gz PTEOCZKXXRJLHT-DNVCBOLYSA-N 2 1 362.449 0.714 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233541 492432907 /nfs/dbraw/zinc/43/29/07/492432907.db2.gz VZICBUDFCZGAJN-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000622031973 492445632 /nfs/dbraw/zinc/44/56/32/492445632.db2.gz XDWWYTNQUPDRBR-UEXGIBASSA-N 2 1 370.497 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000622031973 492445635 /nfs/dbraw/zinc/44/56/35/492445635.db2.gz XDWWYTNQUPDRBR-UEXGIBASSA-N 2 1 370.497 0.712 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000643484615 492478301 /nfs/dbraw/zinc/47/83/01/492478301.db2.gz HUJZNBJHGMZSDZ-GOSISDBHSA-N 2 1 358.486 0.979 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643489792 492479766 /nfs/dbraw/zinc/47/97/66/492479766.db2.gz PZBGORSOLYJHJZ-ULQDDVLXSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000643492470 492480687 /nfs/dbraw/zinc/48/06/87/492480687.db2.gz ZRVSQHBFZRCSOG-XHSDSOJGSA-N 2 1 357.458 0.234 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000635607645 492481067 /nfs/dbraw/zinc/48/10/67/492481067.db2.gz QMLMPAXCEGKEKF-INIZCTEOSA-N 2 1 362.478 0.516 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000635607645 492481072 /nfs/dbraw/zinc/48/10/72/492481072.db2.gz QMLMPAXCEGKEKF-INIZCTEOSA-N 2 1 362.478 0.516 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000643503627 492483475 /nfs/dbraw/zinc/48/34/75/492483475.db2.gz OLBMYNUTZXXUNJ-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000643513306 492486530 /nfs/dbraw/zinc/48/65/30/492486530.db2.gz QLZITAAXTGOLQY-BZUAXINKSA-N 2 1 359.474 0.677 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000643513329 492486569 /nfs/dbraw/zinc/48/65/69/492486569.db2.gz WDADVJFRQVOJPR-BZUAXINKSA-N 2 1 359.474 0.677 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531824 492491356 /nfs/dbraw/zinc/49/13/56/492491356.db2.gz OQYXWPCJNYVKRG-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC[C@@H]21 ZINC000643549856 492497720 /nfs/dbraw/zinc/49/77/20/492497720.db2.gz WRMWEFGEZVWMRT-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2C1 ZINC000655958935 492498022 /nfs/dbraw/zinc/49/80/22/492498022.db2.gz PMSHWKIRQNGQDA-ZTFGCOKTSA-N 2 1 371.485 0.969 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000643564582 492499343 /nfs/dbraw/zinc/49/93/43/492499343.db2.gz WHBRPCXGQVRQCW-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCCOCC3)CC2)C1 ZINC000655971779 492500244 /nfs/dbraw/zinc/50/02/44/492500244.db2.gz RVNNZYOHVIBXNN-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000655973382 492500272 /nfs/dbraw/zinc/50/02/72/492500272.db2.gz FQZALKKMVMRDGA-BBWFWOEESA-N 2 1 363.506 0.609 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000655973382 492500278 /nfs/dbraw/zinc/50/02/78/492500278.db2.gz FQZALKKMVMRDGA-BBWFWOEESA-N 2 1 363.506 0.609 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643586155 492500946 /nfs/dbraw/zinc/50/09/46/492500946.db2.gz YASHMLAAGAFITC-NJAFHUGGSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2)C1 ZINC000643593473 492502418 /nfs/dbraw/zinc/50/24/18/492502418.db2.gz AULSNSXTYRPASS-LVCYWYKZSA-N 2 1 370.497 0.742 20 0 FCADMP CN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+](C)CCc3ccccc3)CC2)C1=O ZINC000635925944 492528782 /nfs/dbraw/zinc/52/87/82/492528782.db2.gz DBVAJHMJLHPDII-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP Cc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nnn1C1CC[NH2+]CC1 ZINC000649320935 492532060 /nfs/dbraw/zinc/53/20/60/492532060.db2.gz GGNLKEPNPUAOJV-HOTGVXAUSA-N 2 1 362.478 0.182 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C1 ZINC000649320863 492532117 /nfs/dbraw/zinc/53/21/17/492532117.db2.gz CNMUEOFQSPJPNA-MLHJIOFPSA-N 2 1 356.470 0.751 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075649 492536628 /nfs/dbraw/zinc/53/66/28/492536628.db2.gz QPDFIAUNIPJBCG-MWDXBVQZSA-N 2 1 368.522 0.399 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334017 492537305 /nfs/dbraw/zinc/53/73/05/492537305.db2.gz BUJJQWRNZYLUPU-MRXNPFEDSA-N 2 1 360.506 0.247 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334017 492537307 /nfs/dbraw/zinc/53/73/07/492537307.db2.gz BUJJQWRNZYLUPU-MRXNPFEDSA-N 2 1 360.506 0.247 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409739 492550989 /nfs/dbraw/zinc/55/09/89/492550989.db2.gz PJWKPADAQLQUPJ-GOSISDBHSA-N 2 1 359.518 0.561 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409739 492550993 /nfs/dbraw/zinc/55/09/93/492550993.db2.gz PJWKPADAQLQUPJ-GOSISDBHSA-N 2 1 359.518 0.561 20 0 FCADMP c1ccc(N2CCN(C[C@@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414518 492552891 /nfs/dbraw/zinc/55/28/91/492552891.db2.gz DZJZTEILXBCSBO-HXUWFJFHSA-N 2 1 372.561 0.821 20 0 FCADMP c1ccc(N2CC[NH+](C[C@@H]3CCCN(CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414518 492552893 /nfs/dbraw/zinc/55/28/93/492552893.db2.gz DZJZTEILXBCSBO-HXUWFJFHSA-N 2 1 372.561 0.821 20 0 FCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000649416571 492553222 /nfs/dbraw/zinc/55/32/22/492553222.db2.gz FBTAGUXJYJRFKT-CVEARBPZSA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000649416571 492553224 /nfs/dbraw/zinc/55/32/24/492553224.db2.gz FBTAGUXJYJRFKT-CVEARBPZSA-N 2 1 367.538 0.105 20 0 FCADMP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1C[C@H]1CCC[NH+]1C ZINC000649564816 492562927 /nfs/dbraw/zinc/56/29/27/492562927.db2.gz YOOGZMCEMDGLFX-KURKYZTESA-N 2 1 351.539 0.249 20 0 FCADMP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[NH+]2C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649564816 492562930 /nfs/dbraw/zinc/56/29/30/492562930.db2.gz YOOGZMCEMDGLFX-KURKYZTESA-N 2 1 351.539 0.249 20 0 FCADMP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[NH+]2C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649564816 492562934 /nfs/dbraw/zinc/56/29/34/492562934.db2.gz YOOGZMCEMDGLFX-KURKYZTESA-N 2 1 351.539 0.249 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656320899 492591513 /nfs/dbraw/zinc/59/15/13/492591513.db2.gz XCMYJMUQXZTFAM-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656320899 492591516 /nfs/dbraw/zinc/59/15/16/492591516.db2.gz XCMYJMUQXZTFAM-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656320899 492591519 /nfs/dbraw/zinc/59/15/19/492591519.db2.gz XCMYJMUQXZTFAM-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656336897 492600498 /nfs/dbraw/zinc/60/04/98/492600498.db2.gz DLHMDGCBHUHFGU-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656336897 492600500 /nfs/dbraw/zinc/60/05/00/492600500.db2.gz DLHMDGCBHUHFGU-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656336897 492600504 /nfs/dbraw/zinc/60/05/04/492600504.db2.gz DLHMDGCBHUHFGU-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656355155 492610894 /nfs/dbraw/zinc/61/08/94/492610894.db2.gz JUQRYEIDFWAIGE-HOTGVXAUSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656355155 492610899 /nfs/dbraw/zinc/61/08/99/492610899.db2.gz JUQRYEIDFWAIGE-HOTGVXAUSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000624033864 492614674 /nfs/dbraw/zinc/61/46/74/492614674.db2.gz XBAYLASHBPSANW-SFHVURJKSA-N 2 1 373.501 0.526 20 0 FCADMP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578696 492655365 /nfs/dbraw/zinc/65/53/65/492655365.db2.gz DKGQEONIVWERKA-HNNXBMFYSA-N 2 1 351.447 0.582 20 0 FCADMP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578696 492655368 /nfs/dbraw/zinc/65/53/68/492655368.db2.gz DKGQEONIVWERKA-HNNXBMFYSA-N 2 1 351.447 0.582 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629788191 492671764 /nfs/dbraw/zinc/67/17/64/492671764.db2.gz NAANAKLJLNJLDL-OLZOCXBDSA-N 2 1 364.412 0.526 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000629792625 492673637 /nfs/dbraw/zinc/67/36/37/492673637.db2.gz WAKKIBKYDLFXKL-QGZVFWFLSA-N 2 1 361.490 0.702 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000650863561 492677813 /nfs/dbraw/zinc/67/78/13/492677813.db2.gz SUSHEBBNTHOJPZ-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624787023 492684035 /nfs/dbraw/zinc/68/40/35/492684035.db2.gz OLALZXBITBMCMD-GDBMZVCRSA-N 2 1 351.495 0.765 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000644289948 492693293 /nfs/dbraw/zinc/69/32/93/492693293.db2.gz VZEUIMGAAZSJCC-MHORFTMASA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000644289948 492693297 /nfs/dbraw/zinc/69/32/97/492693297.db2.gz VZEUIMGAAZSJCC-MHORFTMASA-N 2 1 368.522 0.630 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CCOCCOC)CC1 ZINC000651097850 492707830 /nfs/dbraw/zinc/70/78/30/492707830.db2.gz YWWMMACKWBLRIK-KRWDZBQOSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000636907290 492725538 /nfs/dbraw/zinc/72/55/38/492725538.db2.gz MZFDEWLGCCGCTP-CLCXKQKWSA-N 2 1 366.506 0.527 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630588244 492754587 /nfs/dbraw/zinc/75/45/87/492754587.db2.gz BIGKZTQYNOGGNI-GOSISDBHSA-N 2 1 350.511 0.601 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC000630588244 492754593 /nfs/dbraw/zinc/75/45/93/492754593.db2.gz BIGKZTQYNOGGNI-GOSISDBHSA-N 3 1 350.511 0.601 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC000630588244 492754599 /nfs/dbraw/zinc/75/45/99/492754599.db2.gz BIGKZTQYNOGGNI-GOSISDBHSA-N 3 1 350.511 0.601 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000644589273 492789322 /nfs/dbraw/zinc/78/93/22/492789322.db2.gz MGJDLVFQYWFLJX-IAGOWNOFSA-N 2 1 359.474 0.822 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000644589273 492789327 /nfs/dbraw/zinc/78/93/27/492789327.db2.gz MGJDLVFQYWFLJX-IAGOWNOFSA-N 2 1 359.474 0.822 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000637259378 492801016 /nfs/dbraw/zinc/80/10/16/492801016.db2.gz VVVVNIUXYQTCMF-OAGGEKHMSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637259378 492801023 /nfs/dbraw/zinc/80/10/23/492801023.db2.gz VVVVNIUXYQTCMF-OAGGEKHMSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000637259378 492801026 /nfs/dbraw/zinc/80/10/26/492801026.db2.gz VVVVNIUXYQTCMF-OAGGEKHMSA-N 2 1 351.495 0.642 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000631163204 492801342 /nfs/dbraw/zinc/80/13/42/492801342.db2.gz LTOLLPGXYPYZEX-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000631163204 492801347 /nfs/dbraw/zinc/80/13/47/492801347.db2.gz LTOLLPGXYPYZEX-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631163204 492801350 /nfs/dbraw/zinc/80/13/50/492801350.db2.gz LTOLLPGXYPYZEX-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870264 492806184 /nfs/dbraw/zinc/80/61/84/492806184.db2.gz ISFFUYMQVXMNDY-MRXNPFEDSA-N 2 1 359.474 0.530 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873186 492807429 /nfs/dbraw/zinc/80/74/29/492807429.db2.gz GZSBQCXDHUHRHU-MRXNPFEDSA-N 2 1 359.474 0.530 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000625525544 492811423 /nfs/dbraw/zinc/81/14/23/492811423.db2.gz WXAZKXKKUILOFA-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000625525544 492811425 /nfs/dbraw/zinc/81/14/25/492811425.db2.gz WXAZKXKKUILOFA-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000625525544 492811427 /nfs/dbraw/zinc/81/14/27/492811427.db2.gz WXAZKXKKUILOFA-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000625525544 492811428 /nfs/dbraw/zinc/81/14/28/492811428.db2.gz WXAZKXKKUILOFA-IRXDYDNUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375724 492816599 /nfs/dbraw/zinc/81/65/99/492816599.db2.gz QMLJHHPDULTNHZ-HOCLYGCPSA-N 2 1 353.511 0.698 20 0 FCADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651865587 492837279 /nfs/dbraw/zinc/83/72/79/492837279.db2.gz XMNMZDGYSOIZLZ-OAHLLOKOSA-N 2 1 350.467 0.326 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651865587 492837281 /nfs/dbraw/zinc/83/72/81/492837281.db2.gz XMNMZDGYSOIZLZ-OAHLLOKOSA-N 2 1 350.467 0.326 20 0 FCADMP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830217 492858784 /nfs/dbraw/zinc/85/87/84/492858784.db2.gz MMHNHONSLNUFTE-LSDHHAIUSA-N 2 1 356.478 0.778 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000645070154 492862812 /nfs/dbraw/zinc/86/28/12/492862812.db2.gz WMJBRRBOGJOGIG-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)nn1 ZINC000631847317 492862988 /nfs/dbraw/zinc/86/29/88/492862988.db2.gz RPNWRBPDEZWUTM-CQSZACIVSA-N 2 1 359.821 0.845 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652149819 492888391 /nfs/dbraw/zinc/88/83/91/492888391.db2.gz BQDOKRUVBCFXSI-UHFFFAOYSA-N 2 1 365.453 0.636 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000631928155 492889215 /nfs/dbraw/zinc/88/92/15/492889215.db2.gz ROIUNSKSPGSYOH-RHSMWYFYSA-N 2 1 356.536 0.864 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC000631975481 492902346 /nfs/dbraw/zinc/90/23/46/492902346.db2.gz GJIDZUGOJVMKRB-KRWDZBQOSA-N 2 1 358.552 0.514 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000658466197 492906221 /nfs/dbraw/zinc/90/62/21/492906221.db2.gz XJUOKTWTQDFOQD-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000658466197 492906224 /nfs/dbraw/zinc/90/62/24/492906224.db2.gz XJUOKTWTQDFOQD-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000658466197 492906227 /nfs/dbraw/zinc/90/62/27/492906227.db2.gz XJUOKTWTQDFOQD-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000658466197 492906229 /nfs/dbraw/zinc/90/62/29/492906229.db2.gz XJUOKTWTQDFOQD-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638104554 492906999 /nfs/dbraw/zinc/90/69/99/492906999.db2.gz JLFKKQAEOMGWDC-WOPDTQHZSA-N 2 1 372.420 0.277 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638104554 492907004 /nfs/dbraw/zinc/90/70/04/492907004.db2.gz JLFKKQAEOMGWDC-WOPDTQHZSA-N 2 1 372.420 0.277 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000632018856 492911417 /nfs/dbraw/zinc/91/14/17/492911417.db2.gz KMCKJZDZNNERDK-SJORKVTESA-N 2 1 360.568 0.758 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348167 492913306 /nfs/dbraw/zinc/91/33/06/492913306.db2.gz WGJJZDMOODWHLC-XAJHFOFHSA-N 2 1 366.506 0.317 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638134720 492913763 /nfs/dbraw/zinc/91/37/63/492913763.db2.gz OFJFHCKZBFJVLI-YUSALJHKSA-N 2 1 354.405 0.963 20 0 FCADMP CC[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638133979 492913960 /nfs/dbraw/zinc/91/39/60/492913960.db2.gz JZIZZSINCLROCN-RBUKOAKNSA-N 2 1 360.502 0.687 20 0 FCADMP CC[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638133979 492913962 /nfs/dbraw/zinc/91/39/62/492913962.db2.gz JZIZZSINCLROCN-RBUKOAKNSA-N 2 1 360.502 0.687 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CC[NH3+] ZINC000652355149 492915119 /nfs/dbraw/zinc/91/51/19/492915119.db2.gz QEAGJTZFWFBZAV-IAGOWNOFSA-N 2 1 360.506 0.965 20 0 FCADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652360471 492916060 /nfs/dbraw/zinc/91/60/60/492916060.db2.gz IXKGODCUJAVFMO-BRWVUGGUSA-N 2 1 352.479 0.038 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141428 492916789 /nfs/dbraw/zinc/91/67/89/492916789.db2.gz UHTMOJIPFZJGTQ-PKOBYXMFSA-N 2 1 361.490 0.477 20 0 FCADMP [NH3+]C1(CC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000638226406 492924131 /nfs/dbraw/zinc/92/41/31/492924131.db2.gz ILFVTSKRWLYGSL-MOPGFXCFSA-N 3 1 372.513 0.959 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632126883 492935359 /nfs/dbraw/zinc/93/53/59/492935359.db2.gz FZTNNIHXNKCYRT-SFHVURJKSA-N 2 1 374.595 0.911 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638438798 492947282 /nfs/dbraw/zinc/94/72/82/492947282.db2.gz CVOQIDZESZTKBT-HNNXBMFYSA-N 2 1 357.462 0.730 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000638490851 492956096 /nfs/dbraw/zinc/95/60/96/492956096.db2.gz BCMNUFBFEKRIDD-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632255374 492959053 /nfs/dbraw/zinc/95/90/53/492959053.db2.gz QNCUKKQCPASEGS-IRXDYDNUSA-N 2 1 360.568 0.664 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000626312910 492962065 /nfs/dbraw/zinc/96/20/65/492962065.db2.gz WJLBWPNEQRPSFT-GOSISDBHSA-N 2 1 362.474 0.749 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000626312910 492962069 /nfs/dbraw/zinc/96/20/69/492962069.db2.gz WJLBWPNEQRPSFT-GOSISDBHSA-N 2 1 362.474 0.749 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638804862 492980319 /nfs/dbraw/zinc/98/03/19/492980319.db2.gz YEWVTDWWYHXSSY-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925773 492988261 /nfs/dbraw/zinc/98/82/61/492988261.db2.gz QAAKHGUFRLLHCX-MAUKXSAKSA-N 2 1 373.501 0.833 20 0 FCADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009505 492999982 /nfs/dbraw/zinc/99/99/82/492999982.db2.gz OHGLTCDEEXPWRH-RTBURBONSA-N 2 1 360.502 0.989 20 0 FCADMP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000646009502 493000020 /nfs/dbraw/zinc/00/00/20/493000020.db2.gz OHGLTCDEEXPWRH-MOPGFXCFSA-N 2 1 360.502 0.989 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652724870 493004016 /nfs/dbraw/zinc/00/40/16/493004016.db2.gz OTQSJDQQKGIFAB-GASCZTMLSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652725534 493004990 /nfs/dbraw/zinc/00/49/90/493004990.db2.gz LDFQONMSPSDYIM-IBGZPJMESA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652725534 493004992 /nfs/dbraw/zinc/00/49/92/493004992.db2.gz LDFQONMSPSDYIM-IBGZPJMESA-N 2 1 372.513 0.878 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652731003 493009466 /nfs/dbraw/zinc/00/94/66/493009466.db2.gz YWIMYFPCWXJXCT-YQQAZPJKSA-N 2 1 366.506 0.284 20 0 FCADMP CS(=O)(=O)N1CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639440921 493010052 /nfs/dbraw/zinc/01/00/52/493010052.db2.gz RQTNYKWNTDVYJR-SFHVURJKSA-N 2 1 367.515 0.591 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)[N@H+]1C ZINC000652734765 493011105 /nfs/dbraw/zinc/01/11/05/493011105.db2.gz VHTDCFYIKYVOGZ-DMRKSPOLSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)[N@@H+]1C ZINC000652734765 493011109 /nfs/dbraw/zinc/01/11/09/493011109.db2.gz VHTDCFYIKYVOGZ-DMRKSPOLSA-N 2 1 366.506 0.282 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@H]2C1 ZINC000626811427 493024740 /nfs/dbraw/zinc/02/47/40/493024740.db2.gz DKYDJRPQVXGXKP-CJNGLKHVSA-N 2 1 358.442 0.660 20 0 FCADMP C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851496 493056112 /nfs/dbraw/zinc/05/61/12/493056112.db2.gz MXDKEKGLHUIJGT-ICSRJNTNSA-N 2 1 361.486 0.716 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cn2cc[nH+]c12 ZINC000658803859 493062187 /nfs/dbraw/zinc/06/21/87/493062187.db2.gz QYBIBPZMMIOABO-INIZCTEOSA-N 2 1 371.441 0.951 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653117480 493073479 /nfs/dbraw/zinc/07/34/79/493073479.db2.gz MXQGZEXXTQAUQE-MSOLQXFVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000653124597 493075404 /nfs/dbraw/zinc/07/54/04/493075404.db2.gz BMHDVXDKSDALQZ-IBGZPJMESA-N 2 1 361.534 0.590 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653125311 493076423 /nfs/dbraw/zinc/07/64/23/493076423.db2.gz WABALHHKDBQEDA-ICSRJNTNSA-N 2 1 358.486 0.286 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000646666683 493081606 /nfs/dbraw/zinc/08/16/06/493081606.db2.gz WZJCPFDQTSSPIF-ZWKOTPCHSA-N 2 1 373.501 0.607 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[C@H]1C(F)(F)F ZINC000627044512 493084794 /nfs/dbraw/zinc/08/47/94/493084794.db2.gz NEJGPHAWGLEIBI-QWHCGFSZSA-N 2 1 352.401 0.877 20 0 FCADMP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653253905 493086624 /nfs/dbraw/zinc/08/66/24/493086624.db2.gz DGFFNMIMTFOJHT-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653253905 493086629 /nfs/dbraw/zinc/08/66/29/493086629.db2.gz DGFFNMIMTFOJHT-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114009 493089994 /nfs/dbraw/zinc/08/99/94/493089994.db2.gz TXBOUKABBXWEIK-BRWVUGGUSA-N 2 1 350.438 0.637 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)[C@@H]1CC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000632808284 493090955 /nfs/dbraw/zinc/09/09/55/493090955.db2.gz NFLDBXVGTSZNAT-QZTJIDSGSA-N 2 1 360.502 0.769 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632909210 493096240 /nfs/dbraw/zinc/09/62/40/493096240.db2.gz KGNBNGQXBVDBBS-GJZGRUSLSA-N 2 1 373.457 0.661 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633084587 493118536 /nfs/dbraw/zinc/11/85/36/493118536.db2.gz NECKQWPYRISYJU-OALUTQOASA-N 2 1 370.497 0.726 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259004 493120071 /nfs/dbraw/zinc/12/00/71/493120071.db2.gz KOARIVQYBNKJFM-QZTJIDSGSA-N 2 1 373.501 0.261 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1)CC1CC1 ZINC000633098220 493123958 /nfs/dbraw/zinc/12/39/58/493123958.db2.gz MGMHAQLDSPWWLE-ROUUACIJSA-N 2 1 362.518 0.920 20 0 FCADMP [NH3+]C[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(F)(F)F ZINC000659025196 493127298 /nfs/dbraw/zinc/12/72/98/493127298.db2.gz ORDXLRVMSIAMRY-GRYCIOLGSA-N 2 1 350.385 0.819 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(F)(F)F ZINC000659025198 493127301 /nfs/dbraw/zinc/12/73/01/493127301.db2.gz ORDXLRVMSIAMRY-IJLUTSLNSA-N 2 1 350.385 0.819 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633150500 493136852 /nfs/dbraw/zinc/13/68/52/493136852.db2.gz YTQFPXRSLYRYPV-RDJZCZTQSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149924 493136859 /nfs/dbraw/zinc/13/68/59/493136859.db2.gz XOEGJBDZYMQSAI-DZJNRPSUSA-N 2 1 356.470 0.525 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)oc1C ZINC000627295020 493138186 /nfs/dbraw/zinc/13/81/86/493138186.db2.gz ROUGRVJUPQUSMS-OAHLLOKOSA-N 2 1 363.462 0.098 20 0 FCADMP CCCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646980799 493139635 /nfs/dbraw/zinc/13/96/35/493139635.db2.gz XZPRAZIYYXPFHT-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646980799 493139644 /nfs/dbraw/zinc/13/96/44/493139644.db2.gz XZPRAZIYYXPFHT-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659072853 493139972 /nfs/dbraw/zinc/13/99/72/493139972.db2.gz CYRLVNHMPVXBHA-ZTFGCOKTSA-N 2 1 372.469 0.839 20 0 FCADMP CCCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646984127 493141794 /nfs/dbraw/zinc/14/17/94/493141794.db2.gz IKHUMLKOVJQBCZ-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316223 493145536 /nfs/dbraw/zinc/14/55/36/493145536.db2.gz CMMWELBOTTWSRW-MULDDASSSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316223 493145538 /nfs/dbraw/zinc/14/55/38/493145538.db2.gz CMMWELBOTTWSRW-MULDDASSSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316223 493145542 /nfs/dbraw/zinc/14/55/42/493145542.db2.gz CMMWELBOTTWSRW-MULDDASSSA-N 2 1 360.502 0.338 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312473 493146262 /nfs/dbraw/zinc/14/62/62/493146262.db2.gz ZKLBQGNKPBUMDL-VVLHAWIVSA-N 2 1 352.523 0.925 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000647021448 493146583 /nfs/dbraw/zinc/14/65/83/493146583.db2.gz PHZUUFBVUMHEDU-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000647021448 493146586 /nfs/dbraw/zinc/14/65/86/493146586.db2.gz PHZUUFBVUMHEDU-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627318786 493150393 /nfs/dbraw/zinc/15/03/93/493150393.db2.gz AGLBDWDIYBLTRP-ZYHUDNBSSA-N 2 1 350.385 0.183 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334765 493158974 /nfs/dbraw/zinc/15/89/74/493158974.db2.gz ZWHLVIDOFRSUSO-MRXNPFEDSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000627335016 493158990 /nfs/dbraw/zinc/15/89/90/493158990.db2.gz ILMZBYDPHNEGIB-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006187 493161556 /nfs/dbraw/zinc/16/15/56/493161556.db2.gz XQWPWHPCEOSUSA-WBVHZDCISA-N 2 1 372.473 0.705 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000653594238 493162654 /nfs/dbraw/zinc/16/26/54/493162654.db2.gz FSEZALUUWFHFBS-LJQANCHMSA-N 2 1 356.555 0.416 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000653594237 493162696 /nfs/dbraw/zinc/16/26/96/493162696.db2.gz FSEZALUUWFHFBS-IBGZPJMESA-N 2 1 356.555 0.416 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659434891 493175988 /nfs/dbraw/zinc/17/59/88/493175988.db2.gz RSTRUNLARQXWKH-QGZVFWFLSA-N 2 1 365.522 0.572 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627365495 493181628 /nfs/dbraw/zinc/18/16/28/493181628.db2.gz QICMQLHVYGPKJN-RWMBFGLXSA-N 2 1 366.428 0.819 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC000659286507 493182793 /nfs/dbraw/zinc/18/27/93/493182793.db2.gz JIWKXWVTPJABOB-KSZLIROESA-N 2 1 363.506 0.505 20 0 FCADMP [NH3+]Cc1cnn(Cc2cn(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)c1 ZINC000641228846 493184776 /nfs/dbraw/zinc/18/47/76/493184776.db2.gz FDWVSUVGRFYIEG-LJQANCHMSA-N 2 1 367.457 0.619 20 0 FCADMP COCC[NH2+]CCc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229985 493185255 /nfs/dbraw/zinc/18/52/55/493185255.db2.gz NXFYTRHIIMVCBJ-LJQANCHMSA-N 2 1 359.474 0.694 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627392651 493199844 /nfs/dbraw/zinc/19/98/44/493199844.db2.gz BCJYJSAJGJJKSJ-OLZOCXBDSA-N 2 1 366.428 0.820 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538764 493208743 /nfs/dbraw/zinc/20/87/43/493208743.db2.gz LYRZYPVIQWJVQQ-STQMWFEESA-N 2 1 351.417 0.606 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548968 493211008 /nfs/dbraw/zinc/21/10/08/493211008.db2.gz JPUHURGGTWNFJT-ROUUACIJSA-N 2 1 362.474 0.431 20 0 FCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000681765315 493215456 /nfs/dbraw/zinc/21/54/56/493215456.db2.gz NRTOXEUOYZVRKT-CTNGQTDRSA-N 2 1 372.513 0.472 20 0 FCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000681765315 493215458 /nfs/dbraw/zinc/21/54/58/493215458.db2.gz NRTOXEUOYZVRKT-CTNGQTDRSA-N 2 1 372.513 0.472 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659592457 493217493 /nfs/dbraw/zinc/21/74/93/493217493.db2.gz MGZYUWVFCAGIGQ-BMGDILEWSA-N 2 1 364.465 0.979 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639959 493224990 /nfs/dbraw/zinc/22/49/90/493224990.db2.gz PTDCSCVQAHWZDM-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639959 493224993 /nfs/dbraw/zinc/22/49/93/493224993.db2.gz PTDCSCVQAHWZDM-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000666796337 493227786 /nfs/dbraw/zinc/22/77/86/493227786.db2.gz YQWIVNNVFOWHNO-SFHVURJKSA-N 2 1 373.501 0.583 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000672655660 493228943 /nfs/dbraw/zinc/22/89/43/493228943.db2.gz XZTVNGFSCACKSG-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000672655660 493228948 /nfs/dbraw/zinc/22/89/48/493228948.db2.gz XZTVNGFSCACKSG-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000672693432 493233924 /nfs/dbraw/zinc/23/39/24/493233924.db2.gz WKKFGYWFOJYYFL-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000672695786 493234441 /nfs/dbraw/zinc/23/44/41/493234441.db2.gz HWZKCADPQCKZQN-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000666976980 493243955 /nfs/dbraw/zinc/24/39/55/493243955.db2.gz UBQHXFDOJUJHAV-WBVHZDCISA-N 2 1 368.522 0.726 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659679799 493247992 /nfs/dbraw/zinc/24/79/92/493247992.db2.gz DYXGRWPERRSIBW-OWCLPIDISA-N 2 1 354.495 0.045 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659682081 493248934 /nfs/dbraw/zinc/24/89/34/493248934.db2.gz GSEKUBAKDKRORP-HOTGVXAUSA-N 2 1 368.522 0.627 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659683303 493249526 /nfs/dbraw/zinc/24/95/26/493249526.db2.gz QGMQNOWEWGVBBX-KBPBESRZSA-N 2 1 354.495 0.378 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659699896 493260056 /nfs/dbraw/zinc/26/00/56/493260056.db2.gz XETPPUZUWXWVRQ-HZPDHXFCSA-N 2 1 361.490 0.037 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659699894 493260067 /nfs/dbraw/zinc/26/00/67/493260067.db2.gz XETPPUZUWXWVRQ-CVEARBPZSA-N 2 1 361.490 0.037 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000672881407 493262530 /nfs/dbraw/zinc/26/25/30/493262530.db2.gz QRULKESZJFCDQF-MRXNPFEDSA-N 2 1 368.522 0.585 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659703983 493263582 /nfs/dbraw/zinc/26/35/82/493263582.db2.gz IJABBRMXWSSYPO-DOTOQJQBSA-N 2 1 362.518 0.825 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659738449 493280012 /nfs/dbraw/zinc/28/00/12/493280012.db2.gz DUMYRVYEOXLAGP-YVSFHVDLSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673131254 493294084 /nfs/dbraw/zinc/29/40/84/493294084.db2.gz GMCDVAXQHHWMBG-HNNXBMFYSA-N 2 1 350.467 0.374 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795588 493302642 /nfs/dbraw/zinc/30/26/42/493302642.db2.gz HXVDDVADDAYOCO-KRWDZBQOSA-N 2 1 374.489 0.792 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308365 493316151 /nfs/dbraw/zinc/31/61/51/493316151.db2.gz PUCPVLWAQHFJRL-PMPSAXMXSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308365 493316155 /nfs/dbraw/zinc/31/61/55/493316155.db2.gz PUCPVLWAQHFJRL-PMPSAXMXSA-N 2 1 354.495 0.202 20 0 FCADMP Cc1ncc(CN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000668209065 493324758 /nfs/dbraw/zinc/32/47/58/493324758.db2.gz SFYNCQJUIXNCMP-UHFFFAOYSA-N 2 1 351.476 0.944 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000673427650 493327363 /nfs/dbraw/zinc/32/73/63/493327363.db2.gz CCLWRANVXGPKHV-IAGOWNOFSA-N 2 1 368.522 0.593 20 0 FCADMP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000660165963 493331864 /nfs/dbraw/zinc/33/18/64/493331864.db2.gz XXKKWEDUSIBAEK-GVDBMIGSSA-N 2 1 351.491 0.593 20 0 FCADMP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000660165961 493332174 /nfs/dbraw/zinc/33/21/74/493332174.db2.gz XXKKWEDUSIBAEK-BRWVUGGUSA-N 2 1 351.491 0.593 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660638339 493369241 /nfs/dbraw/zinc/36/92/41/493369241.db2.gz JJBGZCDHYXEZLF-SFHVURJKSA-N 2 1 367.538 0.422 20 0 FCADMP CN1CCN(C)[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660638339 493369244 /nfs/dbraw/zinc/36/92/44/493369244.db2.gz JJBGZCDHYXEZLF-SFHVURJKSA-N 2 1 367.538 0.422 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)C1CC1 ZINC000668777678 493409002 /nfs/dbraw/zinc/40/90/02/493409002.db2.gz UMTLSRPSLHSQRQ-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)C1CC1 ZINC000668777678 493409004 /nfs/dbraw/zinc/40/90/04/493409004.db2.gz UMTLSRPSLHSQRQ-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000668777678 493409005 /nfs/dbraw/zinc/40/90/05/493409005.db2.gz UMTLSRPSLHSQRQ-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000668777678 493409007 /nfs/dbraw/zinc/40/90/07/493409007.db2.gz UMTLSRPSLHSQRQ-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000668789358 493411044 /nfs/dbraw/zinc/41/10/44/493411044.db2.gz UKZQQEPQBFQXGR-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000668827637 493416701 /nfs/dbraw/zinc/41/67/01/493416701.db2.gz KTCFNFZBEIIUHW-INIZCTEOSA-N 2 1 366.506 0.348 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000661271843 493422937 /nfs/dbraw/zinc/42/29/37/493422937.db2.gz BFOKOEPGIOIHOH-HZPDHXFCSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000661271843 493422939 /nfs/dbraw/zinc/42/29/39/493422939.db2.gz BFOKOEPGIOIHOH-HZPDHXFCSA-N 2 1 368.522 0.279 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000668992005 493447451 /nfs/dbraw/zinc/44/74/51/493447451.db2.gz JYAYWBGVCXNVRO-HNNXBMFYSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000668992005 493447453 /nfs/dbraw/zinc/44/74/53/493447453.db2.gz JYAYWBGVCXNVRO-HNNXBMFYSA-N 2 1 367.538 0.118 20 0 FCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000668992005 493447455 /nfs/dbraw/zinc/44/74/55/493447455.db2.gz JYAYWBGVCXNVRO-HNNXBMFYSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661598077 493449948 /nfs/dbraw/zinc/44/99/48/493449948.db2.gz ODGPNRUCBLKULX-DZVNLGKHSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661598077 493449951 /nfs/dbraw/zinc/44/99/51/493449951.db2.gz ODGPNRUCBLKULX-DZVNLGKHSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](CC[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661598077 493449954 /nfs/dbraw/zinc/44/99/54/493449954.db2.gz ODGPNRUCBLKULX-DZVNLGKHSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340641 493480581 /nfs/dbraw/zinc/48/05/81/493480581.db2.gz AAQXKUMWBWSKJC-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340641 493480583 /nfs/dbraw/zinc/48/05/83/493480583.db2.gz AAQXKUMWBWSKJC-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340641 493480586 /nfs/dbraw/zinc/48/05/86/493480586.db2.gz AAQXKUMWBWSKJC-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340641 493480588 /nfs/dbraw/zinc/48/05/88/493480588.db2.gz AAQXKUMWBWSKJC-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342515 493481080 /nfs/dbraw/zinc/48/10/80/493481080.db2.gz JAWKLIVSNGFZPC-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342515 493481084 /nfs/dbraw/zinc/48/10/84/493481084.db2.gz JAWKLIVSNGFZPC-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343613 493482184 /nfs/dbraw/zinc/48/21/84/493482184.db2.gz NLTQRTIVIGXGFX-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343613 493482186 /nfs/dbraw/zinc/48/21/86/493482186.db2.gz NLTQRTIVIGXGFX-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+](C)C2CC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000662221622 493497457 /nfs/dbraw/zinc/49/74/57/493497457.db2.gz BGZLOGJQEANVOV-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@H](O)C[N@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000662221622 493497460 /nfs/dbraw/zinc/49/74/60/493497460.db2.gz BGZLOGJQEANVOV-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1[C@H](C)N(C[C@H](O)C[N@@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000662221622 493497463 /nfs/dbraw/zinc/49/74/63/493497463.db2.gz BGZLOGJQEANVOV-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669444091 493504503 /nfs/dbraw/zinc/50/45/03/493504503.db2.gz YOIJXFYDSFVNSS-XHSDSOJGSA-N 2 1 351.495 0.323 20 0 FCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296818 493504907 /nfs/dbraw/zinc/50/49/07/493504907.db2.gz NMRZZZPUTHEVDG-ROUUACIJSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000669486485 493506316 /nfs/dbraw/zinc/50/63/16/493506316.db2.gz POQKIKHDUWZRCX-BRWVUGGUSA-N 2 1 353.511 0.019 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662350475 493508365 /nfs/dbraw/zinc/50/83/65/493508365.db2.gz BVXWUJZTSYKKGM-OAHLLOKOSA-N 2 1 350.467 0.289 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669585435 493512502 /nfs/dbraw/zinc/51/25/02/493512502.db2.gz ILTYYJRSIGQFCU-SJORKVTESA-N 2 1 365.522 0.714 20 0 FCADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000662443385 493516223 /nfs/dbraw/zinc/51/62/23/493516223.db2.gz KVBKWDWZTQZFSO-KRWDZBQOSA-N 2 1 361.490 0.833 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000662480317 493519302 /nfs/dbraw/zinc/51/93/02/493519302.db2.gz QPNCCGSFCOLYAO-MRXNPFEDSA-N 2 1 363.510 0.204 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662484042 493519979 /nfs/dbraw/zinc/51/99/79/493519979.db2.gz DYGLONYJBVNNFD-UHFFFAOYSA-N 2 1 373.461 0.115 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@@H+]1C[C@H](C)O ZINC000662528990 493523683 /nfs/dbraw/zinc/52/36/83/493523683.db2.gz KULXNZCKIMPGND-CFVMTHIKSA-N 2 1 350.467 0.038 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC[N@H+]1C[C@H](C)O ZINC000662528990 493523684 /nfs/dbraw/zinc/52/36/84/493523684.db2.gz KULXNZCKIMPGND-CFVMTHIKSA-N 2 1 350.467 0.038 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662534446 493524602 /nfs/dbraw/zinc/52/46/02/493524602.db2.gz HJUBPUWEZRPGIM-OLZOCXBDSA-N 2 1 353.385 0.463 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676246724 493534457 /nfs/dbraw/zinc/53/44/57/493534457.db2.gz WHQYREBHNXOTDJ-ZBFHGGJFSA-N 2 1 356.511 0.894 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246724 493534459 /nfs/dbraw/zinc/53/44/59/493534459.db2.gz WHQYREBHNXOTDJ-ZBFHGGJFSA-N 2 1 356.511 0.894 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC000662721946 493535021 /nfs/dbraw/zinc/53/50/21/493535021.db2.gz FTCMPVVINKXETH-SJORKVTESA-N 2 1 366.506 0.143 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250213 493535126 /nfs/dbraw/zinc/53/51/26/493535126.db2.gz FLJRQNIUUZQIEC-SVGFKBNWSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250213 493535127 /nfs/dbraw/zinc/53/51/27/493535127.db2.gz FLJRQNIUUZQIEC-SVGFKBNWSA-N 2 1 354.495 0.383 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662724765 493535360 /nfs/dbraw/zinc/53/53/60/493535360.db2.gz SXDJOCHPAQXWRO-SOUVJXGZSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662724765 493535364 /nfs/dbraw/zinc/53/53/64/493535364.db2.gz SXDJOCHPAQXWRO-SOUVJXGZSA-N 2 1 350.467 0.120 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000669929918 493535635 /nfs/dbraw/zinc/53/56/35/493535635.db2.gz HDCHKMATFDTSPH-UHFFFAOYSA-N 2 1 358.486 0.670 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCO[C@@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750104 493537013 /nfs/dbraw/zinc/53/70/13/493537013.db2.gz PRILNAZLHVRVCL-JCGIZDLHSA-N 2 1 363.458 0.758 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCO[C@@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750104 493537016 /nfs/dbraw/zinc/53/70/16/493537016.db2.gz PRILNAZLHVRVCL-JCGIZDLHSA-N 2 1 363.458 0.758 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000662752798 493537885 /nfs/dbraw/zinc/53/78/85/493537885.db2.gz KSZMKFUDFGGNCQ-CQSZACIVSA-N 2 1 356.430 0.564 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757735 493539450 /nfs/dbraw/zinc/53/94/50/493539450.db2.gz LZPQDPYRTXQDCY-MOPGFXCFSA-N 2 1 360.502 0.804 20 0 FCADMP Cc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662758406 493540006 /nfs/dbraw/zinc/54/00/06/493540006.db2.gz RPMWLRCXIGHYAW-AWEZNQCLSA-N 3 1 370.461 0.520 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000662775328 493540994 /nfs/dbraw/zinc/54/09/94/493540994.db2.gz XLRWRPGKQCXONA-WBVHZDCISA-N 2 1 355.446 0.774 20 0 FCADMP CC(C)[NH2+]CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000662788426 493542053 /nfs/dbraw/zinc/54/20/53/493542053.db2.gz NBXRESRNUZWKTJ-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000662815274 493544422 /nfs/dbraw/zinc/54/44/22/493544422.db2.gz QXGRWGKNKNKUHL-RDJZCZTQSA-N 2 1 355.446 0.774 20 0 FCADMP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676308470 493544512 /nfs/dbraw/zinc/54/45/12/493544512.db2.gz XDPHRZILQARDTM-DLBZAZTESA-N 3 1 357.543 0.621 20 0 FCADMP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676308470 493544513 /nfs/dbraw/zinc/54/45/13/493544513.db2.gz XDPHRZILQARDTM-DLBZAZTESA-N 3 1 357.543 0.621 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662857365 493547216 /nfs/dbraw/zinc/54/72/16/493547216.db2.gz AMNHZTOBGLQKMG-DLBZAZTESA-N 2 1 369.469 0.983 20 0 FCADMP CC[N@H+]1CCC[C@H](CN(C)C(=O)[C@@H]2C[NH2+]CCOC2)[C@H]1c1cnn(C)c1 ZINC000662863522 493548063 /nfs/dbraw/zinc/54/80/63/493548063.db2.gz HMIRUJTUUNPRRF-NXHRZFHOSA-N 2 1 363.506 0.888 20 0 FCADMP CN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901687 493550157 /nfs/dbraw/zinc/55/01/57/493550157.db2.gz YIHNCLWPEOVFBL-AWEZNQCLSA-N 2 1 351.520 0.885 20 0 FCADMP CN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901687 493550158 /nfs/dbraw/zinc/55/01/58/493550158.db2.gz YIHNCLWPEOVFBL-AWEZNQCLSA-N 2 1 351.520 0.885 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)[C@H]2C1 ZINC000662944041 493558408 /nfs/dbraw/zinc/55/84/08/493558408.db2.gz HSOWQYLLYJUAOY-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946843 493559258 /nfs/dbraw/zinc/55/92/58/493559258.db2.gz DEENMCNPEMHWPG-RBUKOAKNSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662957917 493561019 /nfs/dbraw/zinc/56/10/19/493561019.db2.gz OYLXCGRIPDLWIF-NZSAHSFTSA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000662966012 493562041 /nfs/dbraw/zinc/56/20/41/493562041.db2.gz DZOGDXGSYPOKMY-GOSISDBHSA-N 2 1 358.486 0.712 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000662984439 493564131 /nfs/dbraw/zinc/56/41/31/493564131.db2.gz RHKPULKWWDJEDY-OIISXLGYSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000662988657 493565110 /nfs/dbraw/zinc/56/51/10/493565110.db2.gz VOPAQWZFPQKMPE-MJGOQNOKSA-N 2 1 372.513 0.959 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000676698129 493567764 /nfs/dbraw/zinc/56/77/64/493567764.db2.gz MQHILNPEYIHPHX-PKOBYXMFSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000676698129 493567766 /nfs/dbraw/zinc/56/77/66/493567766.db2.gz MQHILNPEYIHPHX-PKOBYXMFSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000676698129 493567768 /nfs/dbraw/zinc/56/77/68/493567768.db2.gz MQHILNPEYIHPHX-PKOBYXMFSA-N 2 1 364.534 0.916 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000670545191 493579445 /nfs/dbraw/zinc/57/94/45/493579445.db2.gz VONBKNCNBGZHMP-UHFFFAOYSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670628481 493581249 /nfs/dbraw/zinc/58/12/49/493581249.db2.gz FQZAGLXMBIVSNZ-RTBURBONSA-N 2 1 370.497 0.978 20 0 FCADMP c1nc2nc(=N[C@@H]3CC[NH+](C4CC4)C3)cc(N[C@@H]3CC[N@H+](C4CC4)C3)n2[nH]1 ZINC000663425502 493588438 /nfs/dbraw/zinc/58/84/38/493588438.db2.gz RCSQGAKTBDACFN-ZIAGYGMSSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@@H]3CC[N@@H+](C4CC4)C3)cc(N[C@@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425502 493588439 /nfs/dbraw/zinc/58/84/39/493588439.db2.gz RCSQGAKTBDACFN-ZIAGYGMSSA-N 2 1 368.489 0.843 20 0 FCADMP c1nc2nc(=N[C@@H]3CC[N@H+](C4CC4)C3)cc(N[C@@H]3CC[NH+](C4CC4)C3)n2[nH]1 ZINC000663425502 493588441 /nfs/dbraw/zinc/58/84/41/493588441.db2.gz RCSQGAKTBDACFN-ZIAGYGMSSA-N 2 1 368.489 0.843 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000663619073 493604721 /nfs/dbraw/zinc/60/47/21/493604721.db2.gz YPDCHBCQJMWKIG-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663620827 493605127 /nfs/dbraw/zinc/60/51/27/493605127.db2.gz NONFZQAUPMVZKY-QGZVFWFLSA-N 2 1 365.522 0.572 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663620827 493605129 /nfs/dbraw/zinc/60/51/29/493605129.db2.gz NONFZQAUPMVZKY-QGZVFWFLSA-N 2 1 365.522 0.572 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000677577118 493609325 /nfs/dbraw/zinc/60/93/25/493609325.db2.gz CWNCGKQXLPDWAJ-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP O=C1CCCN1[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000677738083 493614583 /nfs/dbraw/zinc/61/45/83/493614583.db2.gz BOPJTSRWCKDXRB-ZHEVZCJESA-N 2 1 360.502 0.936 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000670990278 493621230 /nfs/dbraw/zinc/62/12/30/493621230.db2.gz PJQUUWFNIPIGKJ-VVLHAWIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000670990278 493621233 /nfs/dbraw/zinc/62/12/33/493621233.db2.gz PJQUUWFNIPIGKJ-VVLHAWIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000670990278 493621234 /nfs/dbraw/zinc/62/12/34/493621234.db2.gz PJQUUWFNIPIGKJ-VVLHAWIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670990278 493621237 /nfs/dbraw/zinc/62/12/37/493621237.db2.gz PJQUUWFNIPIGKJ-VVLHAWIVSA-N 2 1 368.522 0.306 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104482 493634933 /nfs/dbraw/zinc/63/49/33/493634933.db2.gz JBMYGUXHPAQKTM-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104482 493634934 /nfs/dbraw/zinc/63/49/34/493634934.db2.gz JBMYGUXHPAQKTM-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000671104482 493634935 /nfs/dbraw/zinc/63/49/35/493634935.db2.gz JBMYGUXHPAQKTM-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671105113 493634971 /nfs/dbraw/zinc/63/49/71/493634971.db2.gz HVGXZIQBWCDPPK-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105113 493634972 /nfs/dbraw/zinc/63/49/72/493634972.db2.gz HVGXZIQBWCDPPK-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105113 493634973 /nfs/dbraw/zinc/63/49/73/493634973.db2.gz HVGXZIQBWCDPPK-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671106644 493635575 /nfs/dbraw/zinc/63/55/75/493635575.db2.gz WSCXIQWPKNYPQQ-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671106644 493635576 /nfs/dbraw/zinc/63/55/76/493635576.db2.gz WSCXIQWPKNYPQQ-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671106644 493635577 /nfs/dbraw/zinc/63/55/77/493635577.db2.gz WSCXIQWPKNYPQQ-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671106644 493635578 /nfs/dbraw/zinc/63/55/78/493635578.db2.gz WSCXIQWPKNYPQQ-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000671815762 493707122 /nfs/dbraw/zinc/70/71/22/493707122.db2.gz CNCOMQUOJDYTAX-RDJZCZTQSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671815762 493707124 /nfs/dbraw/zinc/70/71/24/493707124.db2.gz CNCOMQUOJDYTAX-RDJZCZTQSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000671815762 493707125 /nfs/dbraw/zinc/70/71/25/493707125.db2.gz CNCOMQUOJDYTAX-RDJZCZTQSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671815763 493707155 /nfs/dbraw/zinc/70/71/55/493707155.db2.gz CNCOMQUOJDYTAX-WBVHZDCISA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671815763 493707156 /nfs/dbraw/zinc/70/71/56/493707156.db2.gz CNCOMQUOJDYTAX-WBVHZDCISA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671815763 493707157 /nfs/dbraw/zinc/70/71/57/493707157.db2.gz CNCOMQUOJDYTAX-WBVHZDCISA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000671882856 493711052 /nfs/dbraw/zinc/71/10/52/493711052.db2.gz UNNLDHCYZSGNTP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000671882856 493711053 /nfs/dbraw/zinc/71/10/53/493711053.db2.gz UNNLDHCYZSGNTP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000671882856 493711055 /nfs/dbraw/zinc/71/10/55/493711055.db2.gz UNNLDHCYZSGNTP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000671882856 493711056 /nfs/dbraw/zinc/71/10/56/493711056.db2.gz UNNLDHCYZSGNTP-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000671960861 493718396 /nfs/dbraw/zinc/71/83/96/493718396.db2.gz KRJJTACDCZTMLP-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680518468 493721774 /nfs/dbraw/zinc/72/17/74/493721774.db2.gz KWKJMUWSUNQNSL-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672012935 493724796 /nfs/dbraw/zinc/72/47/96/493724796.db2.gz DRXHXGXXXWBVBC-GJZGRUSLSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672012935 493724799 /nfs/dbraw/zinc/72/47/99/493724799.db2.gz DRXHXGXXXWBVBC-GJZGRUSLSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672204274 493742283 /nfs/dbraw/zinc/74/22/83/493742283.db2.gz SBOFJEQMTBSHNP-KRWDZBQOSA-N 2 1 359.474 0.721 20 0 FCADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000665887250 493742736 /nfs/dbraw/zinc/74/27/36/493742736.db2.gz HRHJKNJICZDCAN-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672308853 493753701 /nfs/dbraw/zinc/75/37/01/493753701.db2.gz AETHCCSBJNJCOA-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310827 493755120 /nfs/dbraw/zinc/75/51/20/493755120.db2.gz JHBSPPNHJGRYAP-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000186516078 533923696 /nfs/dbraw/zinc/92/36/96/533923696.db2.gz ZKGLDDXDGYZPIR-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000186516078 533923704 /nfs/dbraw/zinc/92/37/04/533923704.db2.gz ZKGLDDXDGYZPIR-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000186516078 533923709 /nfs/dbraw/zinc/92/37/09/533923709.db2.gz ZKGLDDXDGYZPIR-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000186516078 533923713 /nfs/dbraw/zinc/92/37/13/533923713.db2.gz ZKGLDDXDGYZPIR-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410474958 534018993 /nfs/dbraw/zinc/01/89/93/534018993.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000247179580 534076660 /nfs/dbraw/zinc/07/66/60/534076660.db2.gz BHJVLWLNBCEWLJ-RDJZCZTQSA-N 2 1 363.506 0.940 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000410501419 534277904 /nfs/dbraw/zinc/27/79/04/534277904.db2.gz UMBBPATXTWYGDH-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000410501419 534277907 /nfs/dbraw/zinc/27/79/07/534277907.db2.gz UMBBPATXTWYGDH-OAHLLOKOSA-N 2 1 368.522 0.090 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419455606 536497979 /nfs/dbraw/zinc/49/79/79/536497979.db2.gz XLFWBKYOHYIDJI-DLBZAZTESA-N 2 1 362.474 0.024 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000359962274 527734315 /nfs/dbraw/zinc/73/43/15/527734315.db2.gz UQGUCJUQCCFAPS-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000359962274 527734320 /nfs/dbraw/zinc/73/43/20/527734320.db2.gz UQGUCJUQCCFAPS-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC[N@@H+]1CCOC ZINC000410886849 527768515 /nfs/dbraw/zinc/76/85/15/527768515.db2.gz OXPNOXSEHMCTOQ-QGZVFWFLSA-N 2 1 370.538 0.744 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC[N@H+]1CCOC ZINC000410886849 527768519 /nfs/dbraw/zinc/76/85/19/527768519.db2.gz OXPNOXSEHMCTOQ-QGZVFWFLSA-N 2 1 370.538 0.744 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000410779956 527802051 /nfs/dbraw/zinc/80/20/51/527802051.db2.gz NSHWABPZYDJZDD-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000410779956 527802052 /nfs/dbraw/zinc/80/20/52/527802052.db2.gz NSHWABPZYDJZDD-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000410779956 527802056 /nfs/dbraw/zinc/80/20/56/527802056.db2.gz NSHWABPZYDJZDD-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410909017 528064593 /nfs/dbraw/zinc/06/45/93/528064593.db2.gz KBQJVYXDWLNBPR-UHFFFAOYSA-N 2 1 356.511 0.092 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000410847622 528145338 /nfs/dbraw/zinc/14/53/38/528145338.db2.gz WZFXRRLHKIMHIN-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000410847622 528145343 /nfs/dbraw/zinc/14/53/43/528145343.db2.gz WZFXRRLHKIMHIN-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000410477377 528147524 /nfs/dbraw/zinc/14/75/24/528147524.db2.gz TUZWCDXKQBNHIL-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410695532 528739025 /nfs/dbraw/zinc/73/90/25/528739025.db2.gz FXUMSEDDWINMQK-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410695532 528739028 /nfs/dbraw/zinc/73/90/28/528739028.db2.gz FXUMSEDDWINMQK-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000410924632 529032674 /nfs/dbraw/zinc/03/26/74/529032674.db2.gz DVZQBLSSLOFTRU-KRWDZBQOSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000262086377 529036830 /nfs/dbraw/zinc/03/68/30/529036830.db2.gz LCXPZXPNZZFMKA-SFHVURJKSA-N 2 1 364.465 0.960 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000262086377 529036834 /nfs/dbraw/zinc/03/68/34/529036834.db2.gz LCXPZXPNZZFMKA-SFHVURJKSA-N 2 1 364.465 0.960 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000411017471 529074571 /nfs/dbraw/zinc/07/45/71/529074571.db2.gz BRWHAQOZJVJLMB-SJORKVTESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000411017471 529074572 /nfs/dbraw/zinc/07/45/72/529074572.db2.gz BRWHAQOZJVJLMB-SJORKVTESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413297335 529272814 /nfs/dbraw/zinc/27/28/14/529272814.db2.gz RBKFCWUYNHPKDS-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413297335 529272818 /nfs/dbraw/zinc/27/28/18/529272818.db2.gz RBKFCWUYNHPKDS-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413297335 529272820 /nfs/dbraw/zinc/27/28/20/529272820.db2.gz RBKFCWUYNHPKDS-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165213 535068776 /nfs/dbraw/zinc/06/87/76/535068776.db2.gz FZKKCNJBXLSCCH-QZTJIDSGSA-N 2 1 360.502 0.767 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419705452 535071003 /nfs/dbraw/zinc/07/10/03/535071003.db2.gz ZPLCBLCKADAGOE-HZMVEIRTSA-N 2 1 350.507 0.809 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419696787 535074077 /nfs/dbraw/zinc/07/40/77/535074077.db2.gz NFQVOSMQDBBMSU-BBWFWOEESA-N 2 1 350.507 0.966 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419282718 535218862 /nfs/dbraw/zinc/21/88/62/535218862.db2.gz IOSHZBXLEJKFIM-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@@H+]1C ZINC000415177770 535254382 /nfs/dbraw/zinc/25/43/82/535254382.db2.gz RINKKQBIHSRKOV-INIZCTEOSA-N 2 1 360.458 0.906 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@H+]1C ZINC000415177770 535254388 /nfs/dbraw/zinc/25/43/88/535254388.db2.gz RINKKQBIHSRKOV-INIZCTEOSA-N 2 1 360.458 0.906 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419587878 535501256 /nfs/dbraw/zinc/50/12/56/535501256.db2.gz NWUGHCMWPULJHW-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419577968 535502611 /nfs/dbraw/zinc/50/26/11/535502611.db2.gz DLMBMYUJZHBJHT-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC[N@@H+]1CCOC ZINC000423587654 535733139 /nfs/dbraw/zinc/73/31/39/535733139.db2.gz FKDXZDZNODZHOP-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC[N@H+]1CCOC ZINC000423587654 535733145 /nfs/dbraw/zinc/73/31/45/535733145.db2.gz FKDXZDZNODZHOP-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2F)CC1 ZINC000423996844 535744554 /nfs/dbraw/zinc/74/45/54/535744554.db2.gz XMDXXEMGFDGXJL-HNNXBMFYSA-N 2 1 350.438 0.686 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423486956 535771282 /nfs/dbraw/zinc/77/12/82/535771282.db2.gz WXFYWGPCSACCTH-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419840680 535946561 /nfs/dbraw/zinc/94/65/61/535946561.db2.gz JAMZIQKUFSBLMH-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000423792886 536302509 /nfs/dbraw/zinc/30/25/09/536302509.db2.gz WLNCQRAHXIMLKJ-OAHLLOKOSA-N 2 1 363.462 0.058 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419176164 536368136 /nfs/dbraw/zinc/36/81/36/536368136.db2.gz YWBNVPCACRJQFU-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419856390 536372469 /nfs/dbraw/zinc/37/24/69/536372469.db2.gz XZUINZHHIAPTOY-UHFFFAOYSA-N 2 1 373.501 0.135 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423647535 536372604 /nfs/dbraw/zinc/37/26/04/536372604.db2.gz NFORTQHOXYQGLP-GOSISDBHSA-N 2 1 373.501 0.217 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423383004 536372688 /nfs/dbraw/zinc/37/26/88/536372688.db2.gz KDLKQSFILUAWQV-KRWDZBQOSA-N 2 1 373.501 0.217 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419146531 536450062 /nfs/dbraw/zinc/45/00/62/536450062.db2.gz BGDMZUNESXOAIY-AEFFLSMTSA-N 2 1 360.502 0.639 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000452977035 536466179 /nfs/dbraw/zinc/46/61/79/536466179.db2.gz PWJSUKDXGJCYOX-MJJLTSLDSA-N 2 1 374.529 0.728 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000452977035 536466180 /nfs/dbraw/zinc/46/61/80/536466180.db2.gz PWJSUKDXGJCYOX-MJJLTSLDSA-N 2 1 374.529 0.728 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000452977035 536466182 /nfs/dbraw/zinc/46/61/82/536466182.db2.gz PWJSUKDXGJCYOX-MJJLTSLDSA-N 2 1 374.529 0.728 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419894816 536775866 /nfs/dbraw/zinc/77/58/66/536775866.db2.gz RIKYGUZMAWIIRA-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423603799 536776023 /nfs/dbraw/zinc/77/60/23/536776023.db2.gz FGDCKBKGYGNURD-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000328673718 546516520 /nfs/dbraw/zinc/51/65/20/546516520.db2.gz PLLAYQUKGOSGBP-GOSISDBHSA-N 2 1 352.523 0.460 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736269 546747804 /nfs/dbraw/zinc/74/78/04/546747804.db2.gz KWUFSMJDZJFEBM-SQWLQELKSA-N 2 1 352.479 0.973 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+](C)C1 ZINC000594283154 546778885 /nfs/dbraw/zinc/77/88/85/546778885.db2.gz CSKPOZJXSUKJJE-OWCLPIDISA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+](C)C1 ZINC000594283154 546778887 /nfs/dbraw/zinc/77/88/87/546778887.db2.gz CSKPOZJXSUKJJE-OWCLPIDISA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+](C)C1 ZINC000594283154 546778892 /nfs/dbraw/zinc/77/88/92/546778892.db2.gz CSKPOZJXSUKJJE-OWCLPIDISA-N 2 1 352.479 0.750 20 0 FCADMP C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433370184 546921788 /nfs/dbraw/zinc/92/17/88/546921788.db2.gz DCQFEMYEYKBETQ-OAHLLOKOSA-N 2 1 355.504 0.825 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715686 546928219 /nfs/dbraw/zinc/92/82/19/546928219.db2.gz JXMPXUTUCIJIRF-DLBZAZTESA-N 2 1 356.511 0.633 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCCO1 ZINC000458715686 546928221 /nfs/dbraw/zinc/92/82/21/546928221.db2.gz JXMPXUTUCIJIRF-DLBZAZTESA-N 2 1 356.511 0.633 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CCCO1 ZINC000458715686 546928223 /nfs/dbraw/zinc/92/82/23/546928223.db2.gz JXMPXUTUCIJIRF-DLBZAZTESA-N 2 1 356.511 0.633 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574185 547040509 /nfs/dbraw/zinc/04/05/09/547040509.db2.gz LDKBMPWQRSTOEI-KDOFPFPSSA-N 2 1 355.479 0.223 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574185 547040514 /nfs/dbraw/zinc/04/05/14/547040514.db2.gz LDKBMPWQRSTOEI-KDOFPFPSSA-N 2 1 355.479 0.223 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550907870 547114247 /nfs/dbraw/zinc/11/42/47/547114247.db2.gz DQCQHUIYLMMSIA-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550904531 547115409 /nfs/dbraw/zinc/11/54/09/547115409.db2.gz YRBIZWZSMWEPJU-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550904531 547115413 /nfs/dbraw/zinc/11/54/13/547115413.db2.gz YRBIZWZSMWEPJU-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550904531 547115418 /nfs/dbraw/zinc/11/54/18/547115418.db2.gz YRBIZWZSMWEPJU-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551213175 547134477 /nfs/dbraw/zinc/13/44/77/547134477.db2.gz IYERLSGOPCJCOM-RKVPGOIHSA-N 2 1 370.563 0.777 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000552191115 547194659 /nfs/dbraw/zinc/19/46/59/547194659.db2.gz SZKUIYRJMMNOEA-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000552359174 547204002 /nfs/dbraw/zinc/20/40/02/547204002.db2.gz OIBXIOOWISOTPR-ARFHVFGLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000552359174 547204005 /nfs/dbraw/zinc/20/40/05/547204005.db2.gz OIBXIOOWISOTPR-ARFHVFGLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000552359174 547204013 /nfs/dbraw/zinc/20/40/13/547204013.db2.gz OIBXIOOWISOTPR-ARFHVFGLSA-N 2 1 350.507 0.964 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000552623802 547219856 /nfs/dbraw/zinc/21/98/56/547219856.db2.gz GTPRGLCRNGAWFF-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000552769435 547231542 /nfs/dbraw/zinc/23/15/42/547231542.db2.gz DZUFHBFHVPPPLR-XGHPGWEVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553050619 547248756 /nfs/dbraw/zinc/24/87/56/547248756.db2.gz XZUTYHJNUDQOOJ-CQSZACIVSA-N 2 1 351.499 0.038 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553050619 547248760 /nfs/dbraw/zinc/24/87/60/547248760.db2.gz XZUTYHJNUDQOOJ-CQSZACIVSA-N 2 1 351.499 0.038 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000553271143 547264958 /nfs/dbraw/zinc/26/49/58/547264958.db2.gz GLJSITBJQFMMCT-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000553734868 547303653 /nfs/dbraw/zinc/30/36/53/547303653.db2.gz OKZONZAFDLTILR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000553734868 547303656 /nfs/dbraw/zinc/30/36/56/547303656.db2.gz OKZONZAFDLTILR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000553734868 547303660 /nfs/dbraw/zinc/30/36/60/547303660.db2.gz OKZONZAFDLTILR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949020863 674392259 /nfs/dbraw/zinc/39/22/59/674392259.db2.gz LGJMQFBYWBMXFJ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP O=C1[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292386 598962042 /nfs/dbraw/zinc/96/20/42/598962042.db2.gz ZZRNRHRNSBSIPJ-UKRRQHHQSA-N 2 1 364.413 0.773 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736854163 599079617 /nfs/dbraw/zinc/07/96/17/599079617.db2.gz AKRJZVFDCIYEBF-KRWDZBQOSA-N 2 1 371.489 0.957 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736854163 599079620 /nfs/dbraw/zinc/07/96/20/599079620.db2.gz AKRJZVFDCIYEBF-KRWDZBQOSA-N 2 1 371.489 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950247765 674423223 /nfs/dbraw/zinc/42/32/23/674423223.db2.gz FPOMZOWBJIRZCX-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCCCC2)CC[N@H+]1C ZINC000950248201 674423234 /nfs/dbraw/zinc/42/32/34/674423234.db2.gz QIRUVEGJRFFGTI-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950827917 674440195 /nfs/dbraw/zinc/44/01/95/674440195.db2.gz PJOJHUXMGVHYEC-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161270 599644518 /nfs/dbraw/zinc/64/45/18/599644518.db2.gz XZBWODKKLDNQLH-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161270 599644519 /nfs/dbraw/zinc/64/45/19/599644519.db2.gz XZBWODKKLDNQLH-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161270 599644520 /nfs/dbraw/zinc/64/45/20/599644520.db2.gz XZBWODKKLDNQLH-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161270 599644521 /nfs/dbraw/zinc/64/45/21/599644521.db2.gz XZBWODKKLDNQLH-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001022109309 663405796 /nfs/dbraw/zinc/40/57/96/663405796.db2.gz KWMCJSKQDGENEL-UHDSXZAQSA-N 2 1 350.507 0.870 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538132 663413073 /nfs/dbraw/zinc/41/30/73/663413073.db2.gz QFYDIBRNTZVVEQ-JKSUJKDBSA-N 2 1 354.495 0.555 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891633349 663420591 /nfs/dbraw/zinc/42/05/91/663420591.db2.gz YLBSVVVCQCGBCN-KFWWJZLASA-N 2 1 353.467 0.295 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847016 663444515 /nfs/dbraw/zinc/44/45/15/663444515.db2.gz DKZRAYYJZKPBSD-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000933847016 663444516 /nfs/dbraw/zinc/44/45/16/663444516.db2.gz DKZRAYYJZKPBSD-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000933847016 663444517 /nfs/dbraw/zinc/44/45/17/663444517.db2.gz DKZRAYYJZKPBSD-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891953124 663454777 /nfs/dbraw/zinc/45/47/77/663454777.db2.gz OCFQKAOMTQQOPT-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891966725 663458634 /nfs/dbraw/zinc/45/86/34/663458634.db2.gz VEKKBQYVSFTKAE-QGZVFWFLSA-N 2 1 353.511 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001023377774 663620267 /nfs/dbraw/zinc/62/02/67/663620267.db2.gz WDEGEPRKVOUYFB-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001023377774 663620268 /nfs/dbraw/zinc/62/02/68/663620268.db2.gz WDEGEPRKVOUYFB-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001023377774 663620269 /nfs/dbraw/zinc/62/02/69/663620269.db2.gz WDEGEPRKVOUYFB-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001024447179 663943664 /nfs/dbraw/zinc/94/36/64/663943664.db2.gz SBSPOPXOJHYAJR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001024447179 663943665 /nfs/dbraw/zinc/94/36/65/663943665.db2.gz SBSPOPXOJHYAJR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001024447179 663943667 /nfs/dbraw/zinc/94/36/67/663943667.db2.gz SBSPOPXOJHYAJR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001024447179 663943669 /nfs/dbraw/zinc/94/36/69/663943669.db2.gz SBSPOPXOJHYAJR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@H+]1C ZINC000973332658 664099804 /nfs/dbraw/zinc/09/98/04/664099804.db2.gz VCILQDLCFVHGAB-FFWIBEFTSA-N 2 1 350.507 0.820 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000973332658 664099807 /nfs/dbraw/zinc/09/98/07/664099807.db2.gz VCILQDLCFVHGAB-FFWIBEFTSA-N 2 1 350.507 0.820 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000973332658 664099808 /nfs/dbraw/zinc/09/98/08/664099808.db2.gz VCILQDLCFVHGAB-FFWIBEFTSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)[N@@H+]1CCO ZINC000892758512 664137732 /nfs/dbraw/zinc/13/77/32/664137732.db2.gz JWYHVJPVMFMNRY-OWCLPIDISA-N 2 1 354.495 0.242 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000892761393 664137744 /nfs/dbraw/zinc/13/77/44/664137744.db2.gz ZWDVSLBUQOQPBP-JKSUJKDBSA-N 2 1 354.495 0.291 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3cnn(CCF)c3)C2)CC1 ZINC000893022096 664200256 /nfs/dbraw/zinc/20/02/56/664200256.db2.gz JVJUBYNFGGFRML-OAHLLOKOSA-N 2 1 352.458 0.820 20 0 FCADMP CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893054034 664202180 /nfs/dbraw/zinc/20/21/80/664202180.db2.gz UDINOCFLGIBANA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000893054034 664202181 /nfs/dbraw/zinc/20/21/81/664202181.db2.gz UDINOCFLGIBANA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000893054034 664202184 /nfs/dbraw/zinc/20/21/84/664202184.db2.gz UDINOCFLGIBANA-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3nncn3C)CC2)O1 ZINC001026514536 664239509 /nfs/dbraw/zinc/23/95/09/664239509.db2.gz ITWVSAKFTUTCEW-XSCHDIRWSA-N 2 1 350.467 0.051 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000978881809 664448230 /nfs/dbraw/zinc/44/82/30/664448230.db2.gz UFYFEAINXIZOGQ-UHDSXZAQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000978881809 664448233 /nfs/dbraw/zinc/44/82/33/664448233.db2.gz UFYFEAINXIZOGQ-UHDSXZAQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000978881809 664448236 /nfs/dbraw/zinc/44/82/36/664448236.db2.gz UFYFEAINXIZOGQ-UHDSXZAQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000979781904 664462952 /nfs/dbraw/zinc/46/29/52/664462952.db2.gz BYOACLHXZMDBOH-QUSNUVHPSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000979781904 664462953 /nfs/dbraw/zinc/46/29/53/664462953.db2.gz BYOACLHXZMDBOH-QUSNUVHPSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000979781904 664462956 /nfs/dbraw/zinc/46/29/56/664462956.db2.gz BYOACLHXZMDBOH-QUSNUVHPSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001027891850 664472055 /nfs/dbraw/zinc/47/20/55/664472055.db2.gz JBJPTEURGVVTKJ-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001027891850 664472056 /nfs/dbraw/zinc/47/20/56/664472056.db2.gz JBJPTEURGVVTKJ-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001027891850 664472057 /nfs/dbraw/zinc/47/20/57/664472057.db2.gz JBJPTEURGVVTKJ-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001027891850 664472058 /nfs/dbraw/zinc/47/20/58/664472058.db2.gz JBJPTEURGVVTKJ-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CCc1nocc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628108 664930463 /nfs/dbraw/zinc/93/04/63/664930463.db2.gz OBTATJYOZGSMQR-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628108 664930464 /nfs/dbraw/zinc/93/04/64/664930464.db2.gz OBTATJYOZGSMQR-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628108 664930465 /nfs/dbraw/zinc/93/04/65/664930465.db2.gz OBTATJYOZGSMQR-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628108 664930466 /nfs/dbraw/zinc/93/04/66/664930466.db2.gz OBTATJYOZGSMQR-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628108 664930467 /nfs/dbraw/zinc/93/04/67/664930467.db2.gz OBTATJYOZGSMQR-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP Cn1ncc(I)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000894292110 664949399 /nfs/dbraw/zinc/94/93/99/664949399.db2.gz CAHLZHLZXNHMHH-UHFFFAOYSA-N 2 1 364.231 0.571 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261939575 664958159 /nfs/dbraw/zinc/95/81/59/664958159.db2.gz KJJLEFSHBXQHKZ-ZBFHGGJFSA-N 2 1 352.866 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000983704739 664985011 /nfs/dbraw/zinc/98/50/11/664985011.db2.gz MRFWPQRNKLQEOT-KBUPBQIOSA-N 2 1 352.458 0.572 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897007309 665140209 /nfs/dbraw/zinc/14/02/09/665140209.db2.gz XKEITSGSMIPMNL-QZTJIDSGSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[NH+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C[C@@H](C)O1 ZINC000925275381 665290185 /nfs/dbraw/zinc/29/01/85/665290185.db2.gz RLVZFWWBYCULTH-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1 ZINC000988782298 665314308 /nfs/dbraw/zinc/31/43/08/665314308.db2.gz HSGKOVBPDGVOIZ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC000988783691 665314729 /nfs/dbraw/zinc/31/47/29/665314729.db2.gz WTNZMDYNNXXAII-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000906412088 666052927 /nfs/dbraw/zinc/05/29/27/666052927.db2.gz RTZBCDFYKAGOFZ-JFIYKMOQSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000906412088 666052929 /nfs/dbraw/zinc/05/29/29/666052929.db2.gz RTZBCDFYKAGOFZ-JFIYKMOQSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000906412088 666052931 /nfs/dbraw/zinc/05/29/31/666052931.db2.gz RTZBCDFYKAGOFZ-JFIYKMOQSA-N 2 1 352.523 0.580 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2Cl)CC1 ZINC000906697668 666062848 /nfs/dbraw/zinc/06/28/48/666062848.db2.gz OWSDGVPSSXFSQT-UHFFFAOYSA-N 2 1 365.865 0.638 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198646 666193533 /nfs/dbraw/zinc/19/35/33/666193533.db2.gz AXQJSVGOHNAGPU-QZTJIDSGSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198646 666193535 /nfs/dbraw/zinc/19/35/35/666193535.db2.gz AXQJSVGOHNAGPU-QZTJIDSGSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000908198646 666193537 /nfs/dbraw/zinc/19/35/37/666193537.db2.gz AXQJSVGOHNAGPU-QZTJIDSGSA-N 2 1 352.523 0.460 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000910571161 666251740 /nfs/dbraw/zinc/25/17/40/666251740.db2.gz BEQXSQGGYMXQAV-UHFFFAOYSA-N 2 1 354.539 0.972 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C(=O)NCC3(C)C)CC2)CC1 ZINC000912642019 666463669 /nfs/dbraw/zinc/46/36/69/666463669.db2.gz VIBXMBPMIYAAIJ-MRXNPFEDSA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000913179129 666510280 /nfs/dbraw/zinc/51/02/80/666510280.db2.gz FCSWFWHRNGRTLD-SFNKJDCFSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000913179129 666510282 /nfs/dbraw/zinc/51/02/82/666510282.db2.gz FCSWFWHRNGRTLD-SFNKJDCFSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000913179129 666510283 /nfs/dbraw/zinc/51/02/83/666510283.db2.gz FCSWFWHRNGRTLD-SFNKJDCFSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940286974 666545366 /nfs/dbraw/zinc/54/53/66/666545366.db2.gz BWLFMSZAEQIHLR-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000941274156 666603721 /nfs/dbraw/zinc/60/37/21/666603721.db2.gz XSPGHLMEKQMOSC-KLHDSHLOSA-N 2 1 354.495 0.009 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000941274156 666603725 /nfs/dbraw/zinc/60/37/25/666603725.db2.gz XSPGHLMEKQMOSC-KLHDSHLOSA-N 2 1 354.495 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000992401868 666636325 /nfs/dbraw/zinc/63/63/25/666636325.db2.gz VGNLRALAEDBXKG-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419407280 674761170 /nfs/dbraw/zinc/76/11/70/674761170.db2.gz KAGMVVCGPXEZJD-JTDSTZFVSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000943705963 666783931 /nfs/dbraw/zinc/78/39/31/666783931.db2.gz UNFMQKDGRIZYJG-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000943705963 666783933 /nfs/dbraw/zinc/78/39/33/666783933.db2.gz UNFMQKDGRIZYJG-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000943705963 666783934 /nfs/dbraw/zinc/78/39/34/666783934.db2.gz UNFMQKDGRIZYJG-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000945381492 666878806 /nfs/dbraw/zinc/87/88/06/666878806.db2.gz KCYGOMJAFYEAQE-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000945381492 666878810 /nfs/dbraw/zinc/87/88/10/666878810.db2.gz KCYGOMJAFYEAQE-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000945381492 666878814 /nfs/dbraw/zinc/87/88/14/666878814.db2.gz KCYGOMJAFYEAQE-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)O1 ZINC000995956928 666896772 /nfs/dbraw/zinc/89/67/72/666896772.db2.gz IOQYTUHZICQAMX-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)O1 ZINC000995956928 666896776 /nfs/dbraw/zinc/89/67/76/666896776.db2.gz IOQYTUHZICQAMX-DJIMGWMZSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993839382 666943094 /nfs/dbraw/zinc/94/30/94/666943094.db2.gz ILQGOCTUJYOVPL-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000996603449 666944960 /nfs/dbraw/zinc/94/49/60/666944960.db2.gz MXERFPRBAJLILK-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP COCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996610022 666947824 /nfs/dbraw/zinc/94/78/24/666947824.db2.gz XQVWXIFYNNVZIV-TZMCWYRMSA-N 2 1 351.451 0.637 20 0 FCADMP COCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996610022 666947826 /nfs/dbraw/zinc/94/78/26/666947826.db2.gz XQVWXIFYNNVZIV-TZMCWYRMSA-N 2 1 351.451 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996610088 666947886 /nfs/dbraw/zinc/94/78/86/666947886.db2.gz YCZCCQNAKBCDEQ-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000993959312 666951103 /nfs/dbraw/zinc/95/11/03/666951103.db2.gz OHGNLLGYXBNNNO-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993959312 666951106 /nfs/dbraw/zinc/95/11/06/666951106.db2.gz OHGNLLGYXBNNNO-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993959312 666951109 /nfs/dbraw/zinc/95/11/09/666951109.db2.gz OHGNLLGYXBNNNO-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)O1 ZINC000997857869 667177817 /nfs/dbraw/zinc/17/78/17/667177817.db2.gz CPNHKEAZRKHPAJ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)O1 ZINC000997857869 667177819 /nfs/dbraw/zinc/17/78/19/667177819.db2.gz CPNHKEAZRKHPAJ-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000998795310 667221598 /nfs/dbraw/zinc/22/15/98/667221598.db2.gz XAGFLRJMXXKSHP-SJJHQCBESA-N 2 1 350.507 0.918 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499183 667240991 /nfs/dbraw/zinc/24/09/91/667240991.db2.gz ZUIHQDYUIGTEKY-IJEWVQPXSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499183 667240994 /nfs/dbraw/zinc/24/09/94/667240994.db2.gz ZUIHQDYUIGTEKY-IJEWVQPXSA-N 2 1 350.467 0.098 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001031685878 667268751 /nfs/dbraw/zinc/26/87/51/667268751.db2.gz GMGFPMXXPFJYAS-BHYGNILZSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001002260299 667528876 /nfs/dbraw/zinc/52/88/76/667528876.db2.gz OFPXBOLIXZUZMR-BHYGNILZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001002260299 667528879 /nfs/dbraw/zinc/52/88/79/667528879.db2.gz OFPXBOLIXZUZMR-BHYGNILZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001002260299 667528881 /nfs/dbraw/zinc/52/88/81/667528881.db2.gz OFPXBOLIXZUZMR-BHYGNILZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002483518 667544358 /nfs/dbraw/zinc/54/43/58/667544358.db2.gz DNZHTOHBPFLDGD-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002483518 667544360 /nfs/dbraw/zinc/54/43/60/667544360.db2.gz DNZHTOHBPFLDGD-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002483518 667544364 /nfs/dbraw/zinc/54/43/64/667544364.db2.gz DNZHTOHBPFLDGD-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)O1 ZINC001003132529 667598265 /nfs/dbraw/zinc/59/82/65/667598265.db2.gz DSMMVHLJCRXGCX-YUELXQCFSA-N 2 1 361.433 0.710 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)O1 ZINC001003132529 667598270 /nfs/dbraw/zinc/59/82/70/667598270.db2.gz DSMMVHLJCRXGCX-YUELXQCFSA-N 2 1 361.433 0.710 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595101 667676094 /nfs/dbraw/zinc/67/60/94/667676094.db2.gz INPQZLKTMRNWID-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595101 667676096 /nfs/dbraw/zinc/67/60/96/667676096.db2.gz INPQZLKTMRNWID-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595101 667676098 /nfs/dbraw/zinc/67/60/98/667676098.db2.gz INPQZLKTMRNWID-OVYGPGRDSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001005406491 667740190 /nfs/dbraw/zinc/74/01/90/667740190.db2.gz CNQRAJREWIEQOW-RHSMWYFYSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)CC1 ZINC001034209095 667749447 /nfs/dbraw/zinc/74/94/47/667749447.db2.gz GUKWFLXPDNGHOF-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)O1 ZINC001034675937 667763795 /nfs/dbraw/zinc/76/37/95/667763795.db2.gz UBESNTDFYPUKNG-KLHDSHLOSA-N 2 1 350.467 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)O1 ZINC001034675937 667763797 /nfs/dbraw/zinc/76/37/97/667763797.db2.gz UBESNTDFYPUKNG-KLHDSHLOSA-N 2 1 350.467 0.014 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971313 667772286 /nfs/dbraw/zinc/77/22/86/667772286.db2.gz JTROQEDMWWHJIB-IIAWOOMASA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971313 667772288 /nfs/dbraw/zinc/77/22/88/667772288.db2.gz JTROQEDMWWHJIB-IIAWOOMASA-N 2 1 350.467 0.098 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000923345779 667827326 /nfs/dbraw/zinc/82/73/26/667827326.db2.gz NADDQTMGLWJRHC-HUUCEWRRSA-N 2 1 353.438 0.885 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923380562 667829295 /nfs/dbraw/zinc/82/92/95/667829295.db2.gz OXMHDHFMLIEOAJ-BRWVUGGUSA-N 2 1 354.495 0.240 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923490967 667840791 /nfs/dbraw/zinc/84/07/91/667840791.db2.gz GMDWZAJRISVQSU-CYBMUJFWSA-N 2 1 354.476 0.546 20 0 FCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923489599 667840813 /nfs/dbraw/zinc/84/08/13/667840813.db2.gz PRXWZYYVGWBXOJ-AWEZNQCLSA-N 2 1 352.504 0.884 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC000961991178 674853365 /nfs/dbraw/zinc/85/33/65/674853365.db2.gz PJQPGQTXKPHMBC-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC000961991178 674853366 /nfs/dbraw/zinc/85/33/66/674853366.db2.gz PJQPGQTXKPHMBC-PSPNYPNSSA-N 2 1 350.438 0.924 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760497549 667851937 /nfs/dbraw/zinc/85/19/37/667851937.db2.gz UGUYSECBGIFYNY-MRXNPFEDSA-N 2 1 367.563 0.441 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=S)NCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000760504808 667852024 /nfs/dbraw/zinc/85/20/24/667852024.db2.gz XNRUWAVVGHAFAH-CQSZACIVSA-N 2 1 356.536 0.772 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=S)NCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000760504808 667852025 /nfs/dbraw/zinc/85/20/25/667852025.db2.gz XNRUWAVVGHAFAH-CQSZACIVSA-N 2 1 356.536 0.772 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C3OCCO3)C1)C2=O ZINC000738151108 667905608 /nfs/dbraw/zinc/90/56/08/667905608.db2.gz ZUOWBLACTNQSLZ-ZDUSSCGKSA-N 2 1 352.435 0.045 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C3OCCO3)C1)C2=O ZINC000738151108 667905611 /nfs/dbraw/zinc/90/56/11/667905611.db2.gz ZUOWBLACTNQSLZ-ZDUSSCGKSA-N 2 1 352.435 0.045 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000764504207 667985476 /nfs/dbraw/zinc/98/54/76/667985476.db2.gz PSNGOCZQBYGYNH-HNNXBMFYSA-N 2 1 353.536 0.194 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000774788107 668173944 /nfs/dbraw/zinc/17/39/44/668173944.db2.gz HNZBUJYCGXXKEE-CVEARBPZSA-N 2 1 354.495 0.201 20 0 FCADMP O=C(C[NH2+][C@@H](CCO)C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000771797658 668274697 /nfs/dbraw/zinc/27/46/97/668274697.db2.gz BOFAOZKTUQBWTA-KRWDZBQOSA-N 2 1 353.507 0.888 20 0 FCADMP CC(C)COC(=O)N1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000776689433 668286347 /nfs/dbraw/zinc/28/63/47/668286347.db2.gz XAAHNBYATGKUFO-UHFFFAOYSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)CSCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783918205 668636857 /nfs/dbraw/zinc/63/68/57/668636857.db2.gz PZGQDYDPVQABSD-HZPDHXFCSA-N 2 1 370.563 0.921 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000787378637 668795568 /nfs/dbraw/zinc/79/55/68/668795568.db2.gz ZGTFRDRIXFPTRB-QGZVFWFLSA-N 2 1 350.507 0.384 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC1 ZINC000818679877 668931803 /nfs/dbraw/zinc/93/18/03/668931803.db2.gz HITABGBMIOAKBG-UHFFFAOYSA-N 2 1 354.495 0.284 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000793742190 668947315 /nfs/dbraw/zinc/94/73/15/668947315.db2.gz PKVRTGHJFNLXCX-UKRRQHHQSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000793742190 668947320 /nfs/dbraw/zinc/94/73/20/668947320.db2.gz PKVRTGHJFNLXCX-UKRRQHHQSA-N 2 1 354.495 0.201 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000822962055 669309726 /nfs/dbraw/zinc/30/97/26/669309726.db2.gz PULYRBZCVKDZIE-HZPDHXFCSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064832 669361008 /nfs/dbraw/zinc/36/10/08/669361008.db2.gz YVCNIWXTPVGSIR-ZNMIVQPWSA-N 2 1 354.495 0.058 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000825298146 669446786 /nfs/dbraw/zinc/44/67/86/669446786.db2.gz LKCIBPOIYMINQL-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825298146 669446791 /nfs/dbraw/zinc/44/67/91/669446791.db2.gz LKCIBPOIYMINQL-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CCC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1)CC[NH+](C)C ZINC000808781219 669586045 /nfs/dbraw/zinc/58/60/45/669586045.db2.gz AUIJKWJNADIGTO-UHFFFAOYSA-N 2 1 360.524 0.845 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1)CC[NH+](C)C ZINC000808781219 669586052 /nfs/dbraw/zinc/58/60/52/669586052.db2.gz AUIJKWJNADIGTO-UHFFFAOYSA-N 2 1 360.524 0.845 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000829029370 669680689 /nfs/dbraw/zinc/68/06/89/669680689.db2.gz KWSYUIALZSSKHW-KRWDZBQOSA-N 2 1 350.507 0.907 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000834703432 669970645 /nfs/dbraw/zinc/97/06/45/669970645.db2.gz JTVISRVLOLLFAU-SOUVJXGZSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000834703432 669970647 /nfs/dbraw/zinc/97/06/47/669970647.db2.gz JTVISRVLOLLFAU-SOUVJXGZSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC000834703432 669970649 /nfs/dbraw/zinc/97/06/49/669970649.db2.gz JTVISRVLOLLFAU-SOUVJXGZSA-N 2 1 354.495 0.153 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC000834703432 669970652 /nfs/dbraw/zinc/97/06/52/669970652.db2.gz JTVISRVLOLLFAU-SOUVJXGZSA-N 2 1 354.495 0.153 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)NC(=O)N[C@H]1C ZINC000818340513 670097717 /nfs/dbraw/zinc/09/77/17/670097717.db2.gz OMMNWSINEIUVBA-OLZOCXBDSA-N 2 1 350.463 0.969 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2Cl)CC1 ZINC000841147746 670537179 /nfs/dbraw/zinc/53/71/79/670537179.db2.gz NIXGYTARGJXEJC-GFCCVEGCSA-N 2 1 365.865 0.590 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)C[C@@H]1C ZINC000843247897 670783475 /nfs/dbraw/zinc/78/34/75/670783475.db2.gz CQVGBFGHFBNWMW-GASCZTMLSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)C[C@@H]1C ZINC000843247897 670783477 /nfs/dbraw/zinc/78/34/77/670783477.db2.gz CQVGBFGHFBNWMW-GASCZTMLSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@@H]1C ZINC000843247897 670783479 /nfs/dbraw/zinc/78/34/79/670783479.db2.gz CQVGBFGHFBNWMW-GASCZTMLSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000843247897 670783488 /nfs/dbraw/zinc/78/34/88/670783488.db2.gz CQVGBFGHFBNWMW-GASCZTMLSA-N 2 1 354.495 0.107 20 0 FCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843349274 670803615 /nfs/dbraw/zinc/80/36/15/670803615.db2.gz QJXMSMGWQFWGMK-ZDUSSCGKSA-N 2 1 351.451 0.204 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)NC(=O)N[C@H]1C ZINC000843385759 670810779 /nfs/dbraw/zinc/81/07/79/670810779.db2.gz VYSIJLMCYPZHKQ-GXTWGEPZSA-N 2 1 350.463 0.826 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NOC2CC[NH+](C)CC2)CC1=O ZINC000846646257 671134458 /nfs/dbraw/zinc/13/44/58/671134458.db2.gz BFLXJZGQPNJDGP-CABCVRRESA-N 2 1 352.479 0.461 20 0 FCADMP CCNS(=O)(=O)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847477872 671198417 /nfs/dbraw/zinc/19/84/17/671198417.db2.gz FTEPCUQLIZYRSX-UHFFFAOYSA-N 2 1 374.551 0.238 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849102048 671317966 /nfs/dbraw/zinc/31/79/66/671317966.db2.gz OXBWXJMRIKAVLL-UHFFFAOYSA-N 3 1 355.527 0.712 20 0 FCADMP COc1ccc([C@@H](CO)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849115628 671318802 /nfs/dbraw/zinc/31/88/02/671318802.db2.gz BWBCNPMVRHKEMA-MRXNPFEDSA-N 2 1 350.463 0.607 20 0 FCADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000859243326 671803573 /nfs/dbraw/zinc/80/35/73/671803573.db2.gz ASSDYGVOMJOWRH-QZTJIDSGSA-N 2 1 374.598 0.861 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049483472 675950541 /nfs/dbraw/zinc/95/05/41/675950541.db2.gz XPYJAHMUBRJMMC-FPCVCCKLSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049483472 675950543 /nfs/dbraw/zinc/95/05/43/675950543.db2.gz XPYJAHMUBRJMMC-FPCVCCKLSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483472 675950545 /nfs/dbraw/zinc/95/05/45/675950545.db2.gz XPYJAHMUBRJMMC-FPCVCCKLSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483472 675950546 /nfs/dbraw/zinc/95/05/46/675950546.db2.gz XPYJAHMUBRJMMC-FPCVCCKLSA-N 2 1 357.520 0.437 20 0 FCADMP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000118094209 671950218 /nfs/dbraw/zinc/95/02/18/671950218.db2.gz MAOWFQMVOSLUAW-UHFFFAOYSA-N 2 1 367.881 0.708 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783562 675972994 /nfs/dbraw/zinc/97/29/94/675972994.db2.gz ZEIRTDFEUOPWLZ-WMZOPIPTSA-N 2 1 350.507 0.561 20 0 FCADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931797 675983591 /nfs/dbraw/zinc/98/35/91/675983591.db2.gz IHRRVLDMKDREJD-SMDDNHRTSA-N 2 1 360.384 0.703 20 0 FCADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931797 675983593 /nfs/dbraw/zinc/98/35/93/675983593.db2.gz IHRRVLDMKDREJD-SMDDNHRTSA-N 2 1 360.384 0.703 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)CC[N@@H+]1C ZINC001053265725 675993241 /nfs/dbraw/zinc/99/32/41/675993241.db2.gz DVGFCDRHACLCJA-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)CC[N@H+]1C ZINC001053265725 675993243 /nfs/dbraw/zinc/99/32/43/675993243.db2.gz DVGFCDRHACLCJA-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)CC[N@H+]1C ZINC001055358990 676017524 /nfs/dbraw/zinc/01/75/24/676017524.db2.gz WBJNBIVQIDYTMI-VVLHAWIVSA-N 2 1 350.507 0.585 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C1/SCC(=O)N1C ZINC000874266296 672771867 /nfs/dbraw/zinc/77/18/67/672771867.db2.gz IOOWMBWWMPEBGS-SWEABUAFSA-N 2 1 354.520 0.908 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](C[C@H]3CCCOC3)CC2)O1 ZINC001001531158 676075366 /nfs/dbraw/zinc/07/53/66/676075366.db2.gz BFGMUBUGNYFVCW-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](C[C@H]3CCCOC3)CC2)O1 ZINC001001531158 676075373 /nfs/dbraw/zinc/07/53/73/676075373.db2.gz BFGMUBUGNYFVCW-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923654729 672997024 /nfs/dbraw/zinc/99/70/24/672997024.db2.gz KWPUCJTZDWFGRN-KRWDZBQOSA-N 2 1 352.504 0.385 20 0 FCADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)CC1(O)CCCCC1 ZINC000878337434 673055041 /nfs/dbraw/zinc/05/50/41/673055041.db2.gz CDKSJPGXKFXABF-KRWDZBQOSA-N 2 1 356.507 0.592 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883900753 673402177 /nfs/dbraw/zinc/40/21/77/673402177.db2.gz QBCCCZZTRXNYKY-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883900753 673402178 /nfs/dbraw/zinc/40/21/78/673402178.db2.gz QBCCCZZTRXNYKY-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883900753 673402179 /nfs/dbraw/zinc/40/21/79/673402179.db2.gz QBCCCZZTRXNYKY-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884450240 673453879 /nfs/dbraw/zinc/45/38/79/673453879.db2.gz CBCJXVPIINEKRT-UAGQMJEPSA-N 2 1 367.515 0.633 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884503846 673457665 /nfs/dbraw/zinc/45/76/65/673457665.db2.gz VFDQJYLLFZONOO-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@H+]1C1CC1 ZINC000884553708 673461550 /nfs/dbraw/zinc/46/15/50/673461550.db2.gz FRXWGXLCSMXZFU-MNOVXSKESA-N 2 1 363.487 0.228 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000884554306 673461669 /nfs/dbraw/zinc/46/16/69/673461669.db2.gz QPYWSFNEOPJDED-LPMFXHHGSA-N 2 1 350.507 0.951 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884598331 673464824 /nfs/dbraw/zinc/46/48/24/673464824.db2.gz YKPYCJFCCLDUTL-TXPKVOOTSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000884640899 673469034 /nfs/dbraw/zinc/46/90/34/673469034.db2.gz UDFVGYUKRMARKZ-LJQANCHMSA-N 2 1 350.507 0.969 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000884643114 673469258 /nfs/dbraw/zinc/46/92/58/673469258.db2.gz XOFLUVRQKSAIRP-KDOFPFPSSA-N 2 1 354.495 0.047 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000885008922 673497694 /nfs/dbraw/zinc/49/76/94/673497694.db2.gz UIFDKKUBVRKNHR-KSWRQPAISA-N 2 1 350.507 0.822 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000885459929 673522083 /nfs/dbraw/zinc/52/20/83/673522083.db2.gz PYXMUGJMHCGOFE-SJORKVTESA-N 2 1 358.552 0.512 20 0 FCADMP CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000887068688 673618551 /nfs/dbraw/zinc/61/85/51/673618551.db2.gz QAFPPVDYVKRMOJ-OAHLLOKOSA-N 2 1 350.463 0.770 20 0 FCADMP C[C@@H](CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130329 673704461 /nfs/dbraw/zinc/70/44/61/673704461.db2.gz QDJGYMLYVBKFKZ-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967754 673771453 /nfs/dbraw/zinc/77/14/53/673771453.db2.gz YQUOUSYOVILKFD-ZBFHGGJFSA-N 2 1 374.551 0.224 20 0 FCADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023662 673774327 /nfs/dbraw/zinc/77/43/27/673774327.db2.gz OKDQBHCNDYVFFF-DOTOQJQBSA-N 2 1 361.552 0.873 20 0 FCADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCN(S(C)(=O)=O)CC1 ZINC000925023664 673774448 /nfs/dbraw/zinc/77/44/48/673774448.db2.gz OKDQBHCNDYVFFF-RDJZCZTQSA-N 2 1 361.552 0.873 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925276356 673785264 /nfs/dbraw/zinc/78/52/64/673785264.db2.gz ZAFDHIGWWZSXEH-KBPBESRZSA-N 2 1 365.503 0.519 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637134 673873602 /nfs/dbraw/zinc/87/36/02/673873602.db2.gz NSLPQZZROTXJPM-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637134 673873603 /nfs/dbraw/zinc/87/36/03/673873603.db2.gz NSLPQZZROTXJPM-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637134 673873604 /nfs/dbraw/zinc/87/36/04/673873604.db2.gz NSLPQZZROTXJPM-ZOBUZTSGSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)CC1(CC(=O)NC[C@H]2CC[N@@H+]2C)CCCC1 ZINC000928564303 673919842 /nfs/dbraw/zinc/91/98/42/673919842.db2.gz UTDXJXOFJIZDMJ-IYBDPMFKSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CC1(CC(=O)NC[C@@H]2CC[N@@H+]2C)CCCC1 ZINC000928564303 673919843 /nfs/dbraw/zinc/91/98/43/673919843.db2.gz UTDXJXOFJIZDMJ-IYBDPMFKSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CC1(CC(=O)NC[C@@H]2CC[N@H+]2C)CCCC1 ZINC000928564303 673919844 /nfs/dbraw/zinc/91/98/44/673919844.db2.gz UTDXJXOFJIZDMJ-IYBDPMFKSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC001008168785 675309179 /nfs/dbraw/zinc/30/91/79/675309179.db2.gz QSOXWIGEULYDHZ-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011134996 675374293 /nfs/dbraw/zinc/37/42/93/675374293.db2.gz UIKJTIWROXKINJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011134996 675374294 /nfs/dbraw/zinc/37/42/94/675374294.db2.gz UIKJTIWROXKINJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011134996 675374295 /nfs/dbraw/zinc/37/42/95/675374295.db2.gz UIKJTIWROXKINJ-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001014501312 675391496 /nfs/dbraw/zinc/39/14/96/675391496.db2.gz JHSDMGKIPAQVCX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001014501312 675391499 /nfs/dbraw/zinc/39/14/99/675391499.db2.gz JHSDMGKIPAQVCX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001014501312 675391501 /nfs/dbraw/zinc/39/15/01/675391501.db2.gz JHSDMGKIPAQVCX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001016575280 675402417 /nfs/dbraw/zinc/40/24/17/675402417.db2.gz XTKVPHRONGQCLA-LHUBUQBQSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001016631019 675403133 /nfs/dbraw/zinc/40/31/33/675403133.db2.gz LWVDOOIIQWDUFT-XHSDSOJGSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001016631019 675403134 /nfs/dbraw/zinc/40/31/34/675403134.db2.gz LWVDOOIIQWDUFT-XHSDSOJGSA-N 2 1 371.547 0.732 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001018365136 675416531 /nfs/dbraw/zinc/41/65/31/675416531.db2.gz CWHPXYWMNAOFIL-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001018365136 675416533 /nfs/dbraw/zinc/41/65/33/675416533.db2.gz CWHPXYWMNAOFIL-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001018873177 675417934 /nfs/dbraw/zinc/41/79/34/675417934.db2.gz MUKBLCHROGAWJV-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)[NH+](C)C ZINC001019069066 675420890 /nfs/dbraw/zinc/42/08/90/675420890.db2.gz ASFBBLIUEBKFIV-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020174742 675436490 /nfs/dbraw/zinc/43/64/90/675436490.db2.gz OVQINIXRLQCCAX-UVPYHEFZSA-N 2 1 357.520 0.388 20 0 FCADMP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001020171340 675436606 /nfs/dbraw/zinc/43/66/06/675436606.db2.gz XXTIPJPQNNMVCU-XVIXHAIJSA-N 2 1 351.451 0.854 20 0 FCADMP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001020171340 675436610 /nfs/dbraw/zinc/43/66/10/675436610.db2.gz XXTIPJPQNNMVCU-XVIXHAIJSA-N 2 1 351.451 0.854 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001039132817 675447522 /nfs/dbraw/zinc/44/75/22/675447522.db2.gz OVXITMCWQGXWST-YESZJQIVSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001039132817 675447524 /nfs/dbraw/zinc/44/75/24/675447524.db2.gz OVXITMCWQGXWST-YESZJQIVSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001039132817 675447527 /nfs/dbraw/zinc/44/75/27/675447527.db2.gz OVXITMCWQGXWST-YESZJQIVSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001045444933 675654020 /nfs/dbraw/zinc/65/40/20/675654020.db2.gz KXRHAECLESFUON-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479218 675654330 /nfs/dbraw/zinc/65/43/30/675654330.db2.gz XJMJPIRACNJMQD-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479218 675654332 /nfs/dbraw/zinc/65/43/32/675654332.db2.gz XJMJPIRACNJMQD-QLFBSQMISA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)CC[N@H+]1C ZINC001045671797 675656750 /nfs/dbraw/zinc/65/67/50/675656750.db2.gz IZUNVJOOMVZRPS-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](CC(N)=O)C3)C2)CC[N@H+]1C ZINC001045939134 675673833 /nfs/dbraw/zinc/67/38/33/675673833.db2.gz WFIPKVNLMBRJPB-FCEWJHQRSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)CC[NH+]1C ZINC001045939134 675673835 /nfs/dbraw/zinc/67/38/35/675673835.db2.gz WFIPKVNLMBRJPB-FCEWJHQRSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CC[NH+]1C ZINC001045939134 675673837 /nfs/dbraw/zinc/67/38/37/675673837.db2.gz WFIPKVNLMBRJPB-FCEWJHQRSA-N 2 1 350.507 0.907 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438693 675681740 /nfs/dbraw/zinc/68/17/40/675681740.db2.gz CFLMSNKRMIKITL-ZGUYJTEBSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](C/C=C\Cl)C3)CC2)O1 ZINC001046038286 675682220 /nfs/dbraw/zinc/68/22/20/675682220.db2.gz JLARMPSVLPMDIA-WLJOHKDUSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](C/C=C\Cl)C3)CC2)O1 ZINC001046038286 675682222 /nfs/dbraw/zinc/68/22/22/675682222.db2.gz JLARMPSVLPMDIA-WLJOHKDUSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](C/C=C\Cl)C3)CC2)O1 ZINC001046038286 675682224 /nfs/dbraw/zinc/68/22/24/675682224.db2.gz JLARMPSVLPMDIA-WLJOHKDUSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](C/C=C\Cl)C3)CC2)O1 ZINC001046038286 675682225 /nfs/dbraw/zinc/68/22/25/675682225.db2.gz JLARMPSVLPMDIA-WLJOHKDUSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612659 675699675 /nfs/dbraw/zinc/69/96/75/675699675.db2.gz MGCNXWCBPCQAGB-IYBDPMFKSA-N 2 1 351.495 0.371 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612659 675699676 /nfs/dbraw/zinc/69/96/76/675699676.db2.gz MGCNXWCBPCQAGB-IYBDPMFKSA-N 2 1 351.495 0.371 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001046332625 675709321 /nfs/dbraw/zinc/70/93/21/675709321.db2.gz RKSCHLYIIGBSEP-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001046332625 675709326 /nfs/dbraw/zinc/70/93/26/675709326.db2.gz RKSCHLYIIGBSEP-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001046332625 675709329 /nfs/dbraw/zinc/70/93/29/675709329.db2.gz RKSCHLYIIGBSEP-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001046332625 675709332 /nfs/dbraw/zinc/70/93/32/675709332.db2.gz RKSCHLYIIGBSEP-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900732576 675711568 /nfs/dbraw/zinc/71/15/68/675711568.db2.gz MPAQBKUHOMLNAH-KZNAEPCWSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900732576 675711570 /nfs/dbraw/zinc/71/15/70/675711570.db2.gz MPAQBKUHOMLNAH-KZNAEPCWSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900732576 675711571 /nfs/dbraw/zinc/71/15/71/675711571.db2.gz MPAQBKUHOMLNAH-KZNAEPCWSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900802434 675717482 /nfs/dbraw/zinc/71/74/82/675717482.db2.gz FJEWKEJCHMBRQU-CPFNUKBASA-N 2 1 352.523 0.628 20 0 FCADMP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900805747 675718436 /nfs/dbraw/zinc/71/84/36/675718436.db2.gz QERVLAMKDXAPRT-IRXDYDNUSA-N 2 1 352.523 0.772 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000900944094 675733891 /nfs/dbraw/zinc/73/38/91/675733891.db2.gz HITDFFAMTFUVES-PBHICJAKSA-N 2 1 357.520 0.815 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000900944094 675733892 /nfs/dbraw/zinc/73/38/92/675733892.db2.gz HITDFFAMTFUVES-PBHICJAKSA-N 2 1 357.520 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384894 675795867 /nfs/dbraw/zinc/79/58/67/675795867.db2.gz MGZJEIWODGTVLB-OJLVUWQFSA-N 2 1 369.897 0.380 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001047384894 675795870 /nfs/dbraw/zinc/79/58/70/675795870.db2.gz MGZJEIWODGTVLB-OJLVUWQFSA-N 2 1 369.897 0.380 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047384894 675795872 /nfs/dbraw/zinc/79/58/72/675795872.db2.gz MGZJEIWODGTVLB-OJLVUWQFSA-N 2 1 369.897 0.380 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047384894 675795875 /nfs/dbraw/zinc/79/58/75/675795875.db2.gz MGZJEIWODGTVLB-OJLVUWQFSA-N 2 1 369.897 0.380 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047385989 675796315 /nfs/dbraw/zinc/79/63/15/675796315.db2.gz HTAPGMYXDHHWNO-KBXIAJHMSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1ncsc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047385989 675796316 /nfs/dbraw/zinc/79/63/16/675796316.db2.gz HTAPGMYXDHHWNO-KBXIAJHMSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385989 675796318 /nfs/dbraw/zinc/79/63/18/675796318.db2.gz HTAPGMYXDHHWNO-KBXIAJHMSA-N 2 1 352.504 0.795 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385989 675796320 /nfs/dbraw/zinc/79/63/20/675796320.db2.gz HTAPGMYXDHHWNO-KBXIAJHMSA-N 2 1 352.504 0.795 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(CO)[nH]cc(OC)c2=O)C1 ZINC000902170158 675837471 /nfs/dbraw/zinc/83/74/71/675837471.db2.gz GQZQGKCEVQWCLW-CQSZACIVSA-N 2 1 353.463 0.809 20 0 FCADMP COc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969958143 1168235748 /nfs/dbraw/zinc/23/57/48/1168235748.db2.gz IZPHGBDYSKCAPA-CKEIUWERSA-N 2 1 362.474 0.746 20 0 FCADMP CCn1cc(CC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969957381 1168237931 /nfs/dbraw/zinc/23/79/31/1168237931.db2.gz FOTYBNZVOOTXFN-IIDMSEBBSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969957381 1168237939 /nfs/dbraw/zinc/23/79/39/1168237939.db2.gz FOTYBNZVOOTXFN-IIDMSEBBSA-N 2 1 363.506 0.601 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC2CC2)O1 ZINC001021297429 1168960101 /nfs/dbraw/zinc/96/01/01/1168960101.db2.gz OSYDJJWYUGAUOY-DNUGQZQRSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC2CC2)O1 ZINC001021297429 1168960117 /nfs/dbraw/zinc/96/01/17/1168960117.db2.gz OSYDJJWYUGAUOY-DNUGQZQRSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)O1 ZINC001021297429 1168960131 /nfs/dbraw/zinc/96/01/31/1168960131.db2.gz OSYDJJWYUGAUOY-DNUGQZQRSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)O1 ZINC001021297429 1168960154 /nfs/dbraw/zinc/96/01/54/1168960154.db2.gz OSYDJJWYUGAUOY-DNUGQZQRSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000970638970 1169227002 /nfs/dbraw/zinc/22/70/02/1169227002.db2.gz WDAOLTOSMXBKJC-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1CC[NH2+]CCOCCO ZINC001104291915 1169659663 /nfs/dbraw/zinc/65/96/63/1169659663.db2.gz ZQMSBAKLHSAXHE-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@H]32)C1 ZINC001021699845 1169894241 /nfs/dbraw/zinc/89/42/41/1169894241.db2.gz YGKCZMNGQLGPLE-LZLYRXPVSA-N 2 1 367.453 0.959 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC001021701623 1169895822 /nfs/dbraw/zinc/89/58/22/1169895822.db2.gz BGDNOYGMMWQXLI-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccnn1C ZINC001104347264 1170137710 /nfs/dbraw/zinc/13/77/10/1170137710.db2.gz UHMGTAMKTZHEEC-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccnn1C ZINC001104347264 1170137714 /nfs/dbraw/zinc/13/77/14/1170137714.db2.gz UHMGTAMKTZHEEC-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347383 1170139360 /nfs/dbraw/zinc/13/93/60/1170139360.db2.gz XNSWBOQSPRXUAM-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347383 1170139381 /nfs/dbraw/zinc/13/93/81/1170139381.db2.gz XNSWBOQSPRXUAM-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022035444 1170443979 /nfs/dbraw/zinc/44/39/79/1170443979.db2.gz MVODJRYJHSBUKP-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CCC1 ZINC001022039886 1170461324 /nfs/dbraw/zinc/46/13/24/1170461324.db2.gz XPFQGGIXYHWVEG-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@H+]1C1CC1 ZINC000891662502 1170801892 /nfs/dbraw/zinc/80/18/92/1170801892.db2.gz YCNWPNVGMDQGGF-IVCRCZCHSA-N 2 1 363.462 0.188 20 0 FCADMP CN1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001022252998 1170807863 /nfs/dbraw/zinc/80/78/63/1170807863.db2.gz JIHQDNRBJBFVRO-YESZJQIVSA-N 2 1 359.474 0.817 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[C@@H]2C1 ZINC000891714041 1170833211 /nfs/dbraw/zinc/83/32/11/1170833211.db2.gz KMBNEQRQDPFRAD-IAGOWNOFSA-N 2 1 358.490 0.679 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001691268128 1171002923 /nfs/dbraw/zinc/00/29/23/1171002923.db2.gz BPLFZRQJVPLHDD-UONOGXRCSA-N 2 1 360.418 0.693 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001691268135 1171003432 /nfs/dbraw/zinc/00/34/32/1171003432.db2.gz BVDGEQZVTCPXFS-XHSDSOJGSA-N 2 1 357.462 0.845 20 0 FCADMP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000933846880 1171019320 /nfs/dbraw/zinc/01/93/20/1171019320.db2.gz KSXYOLSZQAYVTK-INIZCTEOSA-N 2 1 366.506 0.015 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000933846880 1171019331 /nfs/dbraw/zinc/01/93/31/1171019331.db2.gz KSXYOLSZQAYVTK-INIZCTEOSA-N 2 1 366.506 0.015 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001691382338 1171242888 /nfs/dbraw/zinc/24/28/88/1171242888.db2.gz QKAHAPCPHDVAHC-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001691382338 1171242903 /nfs/dbraw/zinc/24/29/03/1171242903.db2.gz QKAHAPCPHDVAHC-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000891976051 1171380105 /nfs/dbraw/zinc/38/01/05/1171380105.db2.gz IMDXJIYIDKAQGX-QGZVFWFLSA-N 2 1 367.538 0.744 20 0 FCADMP NC(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000891999358 1171457411 /nfs/dbraw/zinc/45/74/11/1171457411.db2.gz BLPOZFDEZBFHBM-STQMWFEESA-N 2 1 371.489 0.873 20 0 FCADMP NC(=O)c1cc(N[C@H]2CC[NH+](C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000891999358 1171457423 /nfs/dbraw/zinc/45/74/23/1171457423.db2.gz BLPOZFDEZBFHBM-STQMWFEESA-N 2 1 371.489 0.873 20 0 FCADMP C[C@@H](O)CN1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)c3)[C@H]2C1 ZINC001083239220 1171635529 /nfs/dbraw/zinc/63/55/29/1171635529.db2.gz ZGFWPPFIWKEPRL-FHLIZLRMSA-N 2 1 356.426 0.778 20 0 FCADMP OCC[C@@H]1COCCN1Cc1ccc(C[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000934287272 1171699499 /nfs/dbraw/zinc/69/94/99/1171699499.db2.gz NWOMEYHERRZFDB-WOJBJXKFSA-N 2 1 364.486 0.853 20 0 FCADMP OCC[C@@H]1COCCN1Cc1ccc(C[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000934287272 1171699503 /nfs/dbraw/zinc/69/95/03/1171699503.db2.gz NWOMEYHERRZFDB-WOJBJXKFSA-N 2 1 364.486 0.853 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892232335 1171782415 /nfs/dbraw/zinc/78/24/15/1171782415.db2.gz DJQLYEAZPKYAKX-GOSISDBHSA-N 2 1 367.538 0.472 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892275610 1171957135 /nfs/dbraw/zinc/95/71/35/1171957135.db2.gz YYFTVEAYABOEET-IRXDYDNUSA-N 2 1 365.522 0.367 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972315934 1171959588 /nfs/dbraw/zinc/95/95/88/1171959588.db2.gz ZTMVAVBDSOMMAV-KZNAEPCWSA-N 2 1 371.485 0.593 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000989061739 1192667105 /nfs/dbraw/zinc/66/71/05/1192667105.db2.gz PVFLRSRDBOQPCC-PMPSAXMXSA-N 2 1 371.485 0.962 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547730 1192784756 /nfs/dbraw/zinc/78/47/56/1192784756.db2.gz FPLLRWIYWNBJJB-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547730 1192784762 /nfs/dbraw/zinc/78/47/62/1192784762.db2.gz FPLLRWIYWNBJJB-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658247 1192803301 /nfs/dbraw/zinc/80/33/01/1192803301.db2.gz PTBLHHICJZFAJD-LUYZLQTOSA-N 2 1 365.478 0.609 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658247 1192803302 /nfs/dbraw/zinc/80/33/02/1192803302.db2.gz PTBLHHICJZFAJD-LUYZLQTOSA-N 2 1 365.478 0.609 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658247 1192803303 /nfs/dbraw/zinc/80/33/03/1192803303.db2.gz PTBLHHICJZFAJD-LUYZLQTOSA-N 2 1 365.478 0.609 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658247 1192803305 /nfs/dbraw/zinc/80/33/05/1192803305.db2.gz PTBLHHICJZFAJD-LUYZLQTOSA-N 2 1 365.478 0.609 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001059969281 1192812866 /nfs/dbraw/zinc/81/28/66/1192812866.db2.gz FFEBRJJMBYOKTP-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000897791122 1192846798 /nfs/dbraw/zinc/84/67/98/1192846798.db2.gz DCWSSCRVUDDSQJ-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000897791122 1192846803 /nfs/dbraw/zinc/84/68/03/1192846803.db2.gz DCWSSCRVUDDSQJ-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001691579000 1192891611 /nfs/dbraw/zinc/89/16/11/1192891611.db2.gz UPTMQCDJWYQJLJ-IXDOHACOSA-N 2 1 352.523 0.974 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000550636549 1192891853 /nfs/dbraw/zinc/89/18/53/1192891853.db2.gz XHVHQWZXGLUEAA-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)[C@H]2C1 ZINC000892369730 1179872092 /nfs/dbraw/zinc/87/20/92/1179872092.db2.gz JHJKEYXDPHMAHU-SJORKVTESA-N 2 1 358.490 0.679 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001087245134 1179919175 /nfs/dbraw/zinc/91/91/75/1179919175.db2.gz GPUMATFVVFXVJN-PMPSAXMXSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001087245134 1179919184 /nfs/dbraw/zinc/91/91/84/1179919184.db2.gz GPUMATFVVFXVJN-PMPSAXMXSA-N 2 1 363.510 0.752 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC000972638094 1180088938 /nfs/dbraw/zinc/08/89/38/1180088938.db2.gz HZALQXURCLJLME-HZPDHXFCSA-N 2 1 359.474 0.735 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001024039231 1180806401 /nfs/dbraw/zinc/80/64/01/1180806401.db2.gz RRVHCZUWONXSAJ-IJEWVQPXSA-N 2 1 366.462 0.731 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001024039231 1180806404 /nfs/dbraw/zinc/80/64/04/1180806404.db2.gz RRVHCZUWONXSAJ-IJEWVQPXSA-N 2 1 366.462 0.731 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000892536631 1181782774 /nfs/dbraw/zinc/78/27/74/1181782774.db2.gz RVIWIJZKQBOKOR-ZWKOTPCHSA-N 2 1 362.474 0.565 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000892536631 1181782778 /nfs/dbraw/zinc/78/27/78/1181782778.db2.gz RVIWIJZKQBOKOR-ZWKOTPCHSA-N 2 1 362.474 0.565 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001745258116 1181801156 /nfs/dbraw/zinc/80/11/56/1181801156.db2.gz FYAHJVMZKGWXHJ-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973273178 1182180562 /nfs/dbraw/zinc/18/05/62/1182180562.db2.gz TWBHWRYWHWEDKU-WRQOLXDDSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973273178 1182180691 /nfs/dbraw/zinc/18/06/91/1182180691.db2.gz TWBHWRYWHWEDKU-WRQOLXDDSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973273178 1182180885 /nfs/dbraw/zinc/18/08/85/1182180885.db2.gz TWBHWRYWHWEDKU-WRQOLXDDSA-N 2 1 366.506 0.342 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973273178 1182181033 /nfs/dbraw/zinc/18/10/33/1182181033.db2.gz TWBHWRYWHWEDKU-WRQOLXDDSA-N 2 1 366.506 0.342 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892685591 1182276602 /nfs/dbraw/zinc/27/66/02/1182276602.db2.gz ALTUVSSKWARCSB-QZTJIDSGSA-N 2 1 368.522 0.728 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083283982 1182512460 /nfs/dbraw/zinc/51/24/60/1182512460.db2.gz GPTZVUDBLQALKE-DLBZAZTESA-N 2 1 362.478 0.066 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083283982 1182512469 /nfs/dbraw/zinc/51/24/69/1182512469.db2.gz GPTZVUDBLQALKE-DLBZAZTESA-N 2 1 362.478 0.066 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000892920155 1182578966 /nfs/dbraw/zinc/57/89/66/1182578966.db2.gz UBRSXLADIADAAU-IRXDYDNUSA-N 2 1 365.522 0.807 20 0 FCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000892938920 1182661629 /nfs/dbraw/zinc/66/16/29/1182661629.db2.gz TZQVDRFOINENRA-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001025684095 1182683036 /nfs/dbraw/zinc/68/30/36/1182683036.db2.gz CGJRKRXSEUBFOE-GVDBMIGSSA-N 2 1 366.506 0.035 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789673 1182839497 /nfs/dbraw/zinc/83/94/97/1182839497.db2.gz VNZSYYJYSNFNFX-KDGIVYDMSA-N 2 1 365.518 0.815 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792940 1182844554 /nfs/dbraw/zinc/84/45/54/1182844554.db2.gz PBFAPWUTPGAMKF-WILKKADYSA-N 2 1 362.518 0.820 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025792940 1182844557 /nfs/dbraw/zinc/84/45/57/1182844557.db2.gz PBFAPWUTPGAMKF-WILKKADYSA-N 2 1 362.518 0.820 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025792940 1182844560 /nfs/dbraw/zinc/84/45/60/1182844560.db2.gz PBFAPWUTPGAMKF-WILKKADYSA-N 2 1 362.518 0.820 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063313 1182877538 /nfs/dbraw/zinc/87/75/38/1182877538.db2.gz INUAYYLWEWVNJJ-HZYJHYJVSA-N 2 1 356.470 0.252 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063313 1182877543 /nfs/dbraw/zinc/87/75/43/1182877543.db2.gz INUAYYLWEWVNJJ-HZYJHYJVSA-N 2 1 356.470 0.252 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001026063313 1182877545 /nfs/dbraw/zinc/87/75/45/1182877545.db2.gz INUAYYLWEWVNJJ-HZYJHYJVSA-N 2 1 356.470 0.252 20 0 FCADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001026063313 1182877548 /nfs/dbraw/zinc/87/75/48/1182877548.db2.gz INUAYYLWEWVNJJ-HZYJHYJVSA-N 2 1 356.470 0.252 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063348 1182877697 /nfs/dbraw/zinc/87/76/97/1182877697.db2.gz PKNGSZCKQLHXDI-IGERKEGBSA-N 2 1 370.497 0.513 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001026063348 1182877700 /nfs/dbraw/zinc/87/77/00/1182877700.db2.gz PKNGSZCKQLHXDI-IGERKEGBSA-N 2 1 370.497 0.513 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001026063348 1182877702 /nfs/dbraw/zinc/87/77/02/1182877702.db2.gz PKNGSZCKQLHXDI-IGERKEGBSA-N 2 1 370.497 0.513 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063292 1182878074 /nfs/dbraw/zinc/87/80/74/1182878074.db2.gz DUNSTGCOIUVHQP-NYLIBXOJSA-N 2 1 370.497 0.642 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001026063292 1182878076 /nfs/dbraw/zinc/87/80/76/1182878076.db2.gz DUNSTGCOIUVHQP-NYLIBXOJSA-N 2 1 370.497 0.642 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001026063292 1182878080 /nfs/dbraw/zinc/87/80/80/1182878080.db2.gz DUNSTGCOIUVHQP-NYLIBXOJSA-N 2 1 370.497 0.642 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cnn(C)c1 ZINC001104796367 1182925402 /nfs/dbraw/zinc/92/54/02/1182925402.db2.gz QDWDQTTVHQNFCQ-SJLPKXTDSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237933 1182966087 /nfs/dbraw/zinc/96/60/87/1182966087.db2.gz PSJFVWYWFLTMMN-KURKYZTESA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237933 1182966109 /nfs/dbraw/zinc/96/61/09/1182966109.db2.gz PSJFVWYWFLTMMN-KURKYZTESA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237933 1182966123 /nfs/dbraw/zinc/96/61/23/1182966123.db2.gz PSJFVWYWFLTMMN-KURKYZTESA-N 2 1 367.538 0.111 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000974185229 1183038080 /nfs/dbraw/zinc/03/80/80/1183038080.db2.gz HZJFFDFJEFGNPC-LJIZCISZSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000974185229 1183038088 /nfs/dbraw/zinc/03/80/88/1183038088.db2.gz HZJFFDFJEFGNPC-LJIZCISZSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001105007665 1183065637 /nfs/dbraw/zinc/06/56/37/1183065637.db2.gz DHIRWRPJQIDMTR-KBAYOESNSA-N 2 1 360.502 0.911 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007983 1183065748 /nfs/dbraw/zinc/06/57/48/1183065748.db2.gz KXVITEZBOWZGRU-OAGGEKHMSA-N 2 1 363.510 0.780 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008326 1183066884 /nfs/dbraw/zinc/06/68/84/1183066884.db2.gz YJKNCERTYFYVNZ-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010371 1183068049 /nfs/dbraw/zinc/06/80/49/1183068049.db2.gz IRXSLCRFLNOUFH-ZACQAIPSSA-N 2 1 367.538 0.720 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1 ZINC001105017094 1183070321 /nfs/dbraw/zinc/07/03/21/1183070321.db2.gz OSBVMZGKKAXTKL-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)C1 ZINC001105042096 1183089193 /nfs/dbraw/zinc/08/91/93/1183089193.db2.gz NIKISMZNVQCJAX-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)C1 ZINC001105040790 1183089223 /nfs/dbraw/zinc/08/92/23/1183089223.db2.gz QCKBEKLYNDBDSM-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)C1 ZINC001105040790 1183089231 /nfs/dbraw/zinc/08/92/31/1183089231.db2.gz QCKBEKLYNDBDSM-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268141 1183165318 /nfs/dbraw/zinc/16/53/18/1183165318.db2.gz BGRIGMNKTUTTLF-RHSMWYFYSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268141 1183165327 /nfs/dbraw/zinc/16/53/27/1183165327.db2.gz BGRIGMNKTUTTLF-RHSMWYFYSA-N 2 1 364.494 0.516 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccccc1 ZINC001267987912 1183286915 /nfs/dbraw/zinc/28/69/15/1183286915.db2.gz ZPZLENAKZPWSRI-LZLYRXPVSA-N 2 1 360.502 0.985 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC000974539994 1183320758 /nfs/dbraw/zinc/32/07/58/1183320758.db2.gz AKIAUIYZPDSOBQ-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC000974539994 1183320768 /nfs/dbraw/zinc/32/07/68/1183320768.db2.gz AKIAUIYZPDSOBQ-DJIMGWMZSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000974582512 1183361110 /nfs/dbraw/zinc/36/11/10/1183361110.db2.gz XVUHQSPTQQXTPA-BRWVUGGUSA-N 2 1 360.502 0.483 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001026855287 1183424664 /nfs/dbraw/zinc/42/46/64/1183424664.db2.gz DJLFBSPRRHSJRO-QLFBSQMISA-N 2 1 365.478 0.884 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001026855287 1183424665 /nfs/dbraw/zinc/42/46/65/1183424665.db2.gz DJLFBSPRRHSJRO-QLFBSQMISA-N 2 1 365.478 0.884 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001026853930 1183425174 /nfs/dbraw/zinc/42/51/74/1183425174.db2.gz VXTUEQUEIHQFFA-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975210608 1183772713 /nfs/dbraw/zinc/77/27/13/1183772713.db2.gz IVVOBXSNCJZWQN-GVDBMIGSSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC000975624075 1183963755 /nfs/dbraw/zinc/96/37/55/1183963755.db2.gz PRQXFLGNKVNVLF-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC000975624075 1183963760 /nfs/dbraw/zinc/96/37/60/1183963760.db2.gz PRQXFLGNKVNVLF-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP Cn1cncc1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975718035 1185634690 /nfs/dbraw/zinc/63/46/90/1185634690.db2.gz BKRPQCVYTCAZME-ZOBUZTSGSA-N 2 1 359.474 0.364 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000975718911 1185639209 /nfs/dbraw/zinc/63/92/09/1185639209.db2.gz CHIPCVSSGGTDCS-IRXDYDNUSA-N 2 1 359.474 0.737 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000975718956 1185641646 /nfs/dbraw/zinc/64/16/46/1185641646.db2.gz DLBITSVRYUJTGY-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21)[NH+](C)C ZINC000975809812 1185813923 /nfs/dbraw/zinc/81/39/23/1185813923.db2.gz WESPUHLCONJJCM-BBWFWOEESA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC[N@H+]1C ZINC000978960224 1186035277 /nfs/dbraw/zinc/03/52/77/1186035277.db2.gz ODLJQCQXLFPROZ-BKQXGZDCSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC[N@@H+]1C ZINC000978960224 1186035284 /nfs/dbraw/zinc/03/52/84/1186035284.db2.gz ODLJQCQXLFPROZ-BKQXGZDCSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC[N@H+]1C ZINC000978960224 1186035291 /nfs/dbraw/zinc/03/52/91/1186035291.db2.gz ODLJQCQXLFPROZ-BKQXGZDCSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000978963391 1186038616 /nfs/dbraw/zinc/03/86/16/1186038616.db2.gz AHBJPPJDHMFZQI-TXCZRRACSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000978963391 1186038620 /nfs/dbraw/zinc/03/86/20/1186038620.db2.gz AHBJPPJDHMFZQI-TXCZRRACSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112529719 1186090125 /nfs/dbraw/zinc/09/01/25/1186090125.db2.gz LZIRRGDUFTVGAM-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112529963 1186093925 /nfs/dbraw/zinc/09/39/25/1186093925.db2.gz XNEYUXZBVPISRE-LNLFQRSKSA-N 2 1 360.506 0.838 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530412 1186133595 /nfs/dbraw/zinc/13/35/95/1186133595.db2.gz SUNYBUSUECJEEC-QKLQHJQFSA-N 2 1 367.534 0.944 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000979975973 1186147282 /nfs/dbraw/zinc/14/72/82/1186147282.db2.gz CHANRCWSCQLVTD-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000979975973 1186147284 /nfs/dbraw/zinc/14/72/84/1186147284.db2.gz CHANRCWSCQLVTD-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979975973 1186147287 /nfs/dbraw/zinc/14/72/87/1186147287.db2.gz CHANRCWSCQLVTD-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979975973 1186147293 /nfs/dbraw/zinc/14/72/93/1186147293.db2.gz CHANRCWSCQLVTD-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000979975229 1186153116 /nfs/dbraw/zinc/15/31/16/1186153116.db2.gz AHBJPPJDHMFZQI-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000979975229 1186153122 /nfs/dbraw/zinc/15/31/22/1186153122.db2.gz AHBJPPJDHMFZQI-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000979997201 1186160673 /nfs/dbraw/zinc/16/06/73/1186160673.db2.gz VNVNHNBFBPEXEH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)O1 ZINC000979997201 1186160689 /nfs/dbraw/zinc/16/06/89/1186160689.db2.gz VNVNHNBFBPEXEH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)O1 ZINC000979997201 1186160693 /nfs/dbraw/zinc/16/06/93/1186160693.db2.gz VNVNHNBFBPEXEH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000979997201 1186160709 /nfs/dbraw/zinc/16/07/09/1186160709.db2.gz VNVNHNBFBPEXEH-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027887990 1186193747 /nfs/dbraw/zinc/19/37/47/1186193747.db2.gz CDTUMDFTXOLOFQ-NUJGCVRESA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027887990 1186193749 /nfs/dbraw/zinc/19/37/49/1186193749.db2.gz CDTUMDFTXOLOFQ-NUJGCVRESA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001027893225 1186197904 /nfs/dbraw/zinc/19/79/04/1186197904.db2.gz PSPSWJVQKSCQAR-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001027893225 1186197906 /nfs/dbraw/zinc/19/79/06/1186197906.db2.gz PSPSWJVQKSCQAR-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC000981200583 1186348812 /nfs/dbraw/zinc/34/88/12/1186348812.db2.gz VMQKWTTVPRGJRO-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC000981200583 1186348818 /nfs/dbraw/zinc/34/88/18/1186348818.db2.gz VMQKWTTVPRGJRO-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC000981200583 1186348825 /nfs/dbraw/zinc/34/88/25/1186348825.db2.gz VMQKWTTVPRGJRO-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC000981200583 1186348829 /nfs/dbraw/zinc/34/88/29/1186348829.db2.gz VMQKWTTVPRGJRO-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893867863 1187518975 /nfs/dbraw/zinc/51/89/75/1187518975.db2.gz RWAGCPBORUPAMN-ZWKOTPCHSA-N 2 1 367.538 0.253 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000894109372 1187552453 /nfs/dbraw/zinc/55/24/53/1187552453.db2.gz OQYLZDSOLBYTQZ-CEXWTWQISA-N 2 1 358.486 0.956 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000894109372 1187552455 /nfs/dbraw/zinc/55/24/55/1187552455.db2.gz OQYLZDSOLBYTQZ-CEXWTWQISA-N 2 1 358.486 0.956 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000894109372 1187552459 /nfs/dbraw/zinc/55/24/59/1187552459.db2.gz OQYLZDSOLBYTQZ-CEXWTWQISA-N 2 1 358.486 0.956 20 0 FCADMP CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462904 1187647789 /nfs/dbraw/zinc/64/77/89/1187647789.db2.gz FXAVGRFZQRFLAB-KURKYZTESA-N 2 1 365.449 0.423 20 0 FCADMP CN1CCO[C@H](C(=O)N[C@@H]2CN(CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462904 1187647793 /nfs/dbraw/zinc/64/77/93/1187647793.db2.gz FXAVGRFZQRFLAB-KURKYZTESA-N 2 1 365.449 0.423 20 0 FCADMP Cn1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1=O ZINC001028605036 1187747088 /nfs/dbraw/zinc/74/70/88/1187747088.db2.gz JPQOHVUFLRLHJB-BZUAXINKSA-N 2 1 355.442 0.850 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cc1=O ZINC001028605036 1187747093 /nfs/dbraw/zinc/74/70/93/1187747093.db2.gz JPQOHVUFLRLHJB-BZUAXINKSA-N 2 1 355.442 0.850 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628544 1187757399 /nfs/dbraw/zinc/75/73/99/1187757399.db2.gz URHQSGPIBZQFMT-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628544 1187757404 /nfs/dbraw/zinc/75/74/04/1187757404.db2.gz URHQSGPIBZQFMT-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628544 1187757409 /nfs/dbraw/zinc/75/74/09/1187757409.db2.gz URHQSGPIBZQFMT-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628544 1187757415 /nfs/dbraw/zinc/75/74/15/1187757415.db2.gz URHQSGPIBZQFMT-UKPHBRMFSA-N 2 1 364.494 0.264 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000983004542 1187812987 /nfs/dbraw/zinc/81/29/87/1187812987.db2.gz HZOMHSPMYPHURU-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000983139309 1187839396 /nfs/dbraw/zinc/83/93/96/1187839396.db2.gz SJGPIFZBKGEEGJ-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000983139309 1187839398 /nfs/dbraw/zinc/83/93/98/1187839398.db2.gz SJGPIFZBKGEEGJ-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000983139309 1187839400 /nfs/dbraw/zinc/83/94/00/1187839400.db2.gz SJGPIFZBKGEEGJ-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332607 1188100942 /nfs/dbraw/zinc/10/09/42/1188100942.db2.gz KMGKVLBJBZNPNV-HNAYVOBHSA-N 2 1 364.490 0.258 20 0 FCADMP COc1ccc([C@@H]2CC[N@@H+](CCO)C[C@@H]2NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001087476756 1188248150 /nfs/dbraw/zinc/24/81/50/1188248150.db2.gz CYFZPJMLPLWWIO-NEWSRXKRSA-N 2 1 361.486 0.913 20 0 FCADMP COc1ccc([C@@H]2CC[NH+](CCO)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001087476756 1188248152 /nfs/dbraw/zinc/24/81/52/1188248152.db2.gz CYFZPJMLPLWWIO-NEWSRXKRSA-N 2 1 361.486 0.913 20 0 FCADMP COc1ccc([C@@H]2CC[NH+](CCO)C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001087476756 1188248155 /nfs/dbraw/zinc/24/81/55/1188248155.db2.gz CYFZPJMLPLWWIO-NEWSRXKRSA-N 2 1 361.486 0.913 20 0 FCADMP C[C@H]([NH2+]Cc1ccnn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111225 1188291076 /nfs/dbraw/zinc/29/10/76/1188291076.db2.gz DLIQVJMOQJSXAM-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H]([NH2+]Cc1ccnn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111225 1188291081 /nfs/dbraw/zinc/29/10/81/1188291081.db2.gz DLIQVJMOQJSXAM-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000550347786 1188340636 /nfs/dbraw/zinc/34/06/36/1188340636.db2.gz AFXQJQKVRBIHCV-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000550347787 1188340854 /nfs/dbraw/zinc/34/08/54/1188340854.db2.gz AFXQJQKVRBIHCV-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000550378351 1188343672 /nfs/dbraw/zinc/34/36/72/1188343672.db2.gz PCWMQXLMJSPZEE-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(OC)nc1 ZINC001087529431 1189383000 /nfs/dbraw/zinc/38/30/00/1189383000.db2.gz GWGWFVSWVZNJAW-GVDBMIGSSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(OC)nc1 ZINC001087529431 1189383008 /nfs/dbraw/zinc/38/30/08/1189383008.db2.gz GWGWFVSWVZNJAW-GVDBMIGSSA-N 2 1 362.474 0.890 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000550455600 1189491791 /nfs/dbraw/zinc/49/17/91/1189491791.db2.gz ARCUCOPEBGOWKT-USXIJHARSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000550455600 1189491804 /nfs/dbraw/zinc/49/18/04/1189491804.db2.gz ARCUCOPEBGOWKT-USXIJHARSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000550455600 1189491816 /nfs/dbraw/zinc/49/18/16/1189491816.db2.gz ARCUCOPEBGOWKT-USXIJHARSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC[NH+]1C ZINC001075813751 1189604645 /nfs/dbraw/zinc/60/46/45/1189604645.db2.gz XNFXLIRNZDEKNY-MWDXBVQZSA-N 2 1 363.506 0.275 20 0 FCADMP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029403584 1189606982 /nfs/dbraw/zinc/60/69/82/1189606982.db2.gz MNIUDUCTTATUTB-XDNAFOTISA-N 2 1 369.481 0.901 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087659408 1189711707 /nfs/dbraw/zinc/71/17/07/1189711707.db2.gz FEUSDKZMFHQYLA-HRCADAONSA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001087659408 1189711728 /nfs/dbraw/zinc/71/17/28/1189711728.db2.gz FEUSDKZMFHQYLA-HRCADAONSA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087659408 1189711742 /nfs/dbraw/zinc/71/17/42/1189711742.db2.gz FEUSDKZMFHQYLA-HRCADAONSA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCN1CCNC1=O ZINC001087684696 1189745088 /nfs/dbraw/zinc/74/50/88/1189745088.db2.gz JAVVHWCGUBBJAI-JKSUJKDBSA-N 2 1 365.522 0.855 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cn5c(n4)CCCC5)[C@@H]3C2)C1=O ZINC001075819012 1189818086 /nfs/dbraw/zinc/81/80/86/1189818086.db2.gz SFNUXSXTILRAMQ-BHYGNILZSA-N 2 1 371.485 0.525 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000896235998 1190018610 /nfs/dbraw/zinc/01/86/10/1190018610.db2.gz IFOSHKYNJDADBS-UHFFFAOYSA-N 2 1 373.501 0.873 20 0 FCADMP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)nn1 ZINC001087971277 1190035639 /nfs/dbraw/zinc/03/56/39/1190035639.db2.gz POLZDAVZLYHNSF-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)nn1 ZINC001087971277 1190035650 /nfs/dbraw/zinc/03/56/50/1190035650.db2.gz POLZDAVZLYHNSF-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)nn1 ZINC001087971277 1190035658 /nfs/dbraw/zinc/03/56/58/1190035658.db2.gz POLZDAVZLYHNSF-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)nn1 ZINC001087971277 1190035664 /nfs/dbraw/zinc/03/56/64/1190035664.db2.gz POLZDAVZLYHNSF-XLMAVXFVSA-N 2 1 360.506 0.919 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986445 1190116033 /nfs/dbraw/zinc/11/60/33/1190116033.db2.gz LLLJYNYARFXJRJ-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986445 1190116035 /nfs/dbraw/zinc/11/60/35/1190116035.db2.gz LLLJYNYARFXJRJ-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087986445 1190116041 /nfs/dbraw/zinc/11/60/41/1190116041.db2.gz LLLJYNYARFXJRJ-SQNIBIBYSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)CCC1 ZINC001087992774 1190143766 /nfs/dbraw/zinc/14/37/66/1190143766.db2.gz LVNWUINOBWKPEH-CVEARBPZSA-N 2 1 363.506 0.276 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318488 1190191263 /nfs/dbraw/zinc/19/12/63/1190191263.db2.gz DUXWOSVBDGWXQL-JKSUJKDBSA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000262318488 1190191264 /nfs/dbraw/zinc/19/12/64/1190191264.db2.gz DUXWOSVBDGWXQL-JKSUJKDBSA-N 2 1 363.458 0.773 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018824 1190230965 /nfs/dbraw/zinc/23/09/65/1190230965.db2.gz MSDSFQRGKYPJGL-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018824 1190230971 /nfs/dbraw/zinc/23/09/71/1190230971.db2.gz MSDSFQRGKYPJGL-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088042070 1190299529 /nfs/dbraw/zinc/29/95/29/1190299529.db2.gz WJCMVVSRLYTVNI-UKPHBRMFSA-N 2 1 353.426 0.617 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1)N1CCC1 ZINC001088042073 1190300053 /nfs/dbraw/zinc/30/00/53/1190300053.db2.gz WNKPLSLLKXEUQF-WBVHZDCISA-N 2 1 367.453 0.961 20 0 FCADMP OC[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)[C@H](O)[C@@H]1O ZINC001168048205 1190331272 /nfs/dbraw/zinc/33/12/72/1190331272.db2.gz AWQRLFSZWFMHSZ-CUQGXLOWSA-N 2 1 360.458 0.865 20 0 FCADMP CO[C@@H](CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001271288884 1190386657 /nfs/dbraw/zinc/38/66/57/1190386657.db2.gz ABOGEWVRGUDNMH-NXHRZFHOSA-N 2 1 361.486 0.877 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105961 1190592519 /nfs/dbraw/zinc/59/25/19/1190592519.db2.gz JMINPARZQPWAMN-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105961 1190592526 /nfs/dbraw/zinc/59/25/26/1190592526.db2.gz JMINPARZQPWAMN-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105961 1190592532 /nfs/dbraw/zinc/59/25/32/1190592532.db2.gz JMINPARZQPWAMN-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088130599 1190633067 /nfs/dbraw/zinc/63/30/67/1190633067.db2.gz WOHUJUTWPOHYER-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)CC[C@@H]3C2)CC1 ZINC001088150458 1190673869 /nfs/dbraw/zinc/67/38/69/1190673869.db2.gz DMZZXUVXGJOKGC-SJORKVTESA-N 2 1 360.506 0.827 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4cnnn4C)CC[C@@H]3C2)CC1 ZINC001088150458 1190673881 /nfs/dbraw/zinc/67/38/81/1190673881.db2.gz DMZZXUVXGJOKGC-SJORKVTESA-N 2 1 360.506 0.827 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128075 1190899878 /nfs/dbraw/zinc/89/98/78/1190899878.db2.gz QXNPRZINFDZSHV-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128075 1190899881 /nfs/dbraw/zinc/89/98/81/1190899881.db2.gz QXNPRZINFDZSHV-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128075 1190899883 /nfs/dbraw/zinc/89/98/83/1190899883.db2.gz QXNPRZINFDZSHV-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986138727 1190904071 /nfs/dbraw/zinc/90/40/71/1190904071.db2.gz XUOAIKOMTCPRBL-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986138727 1190904074 /nfs/dbraw/zinc/90/40/74/1190904074.db2.gz XUOAIKOMTCPRBL-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)C1 ZINC000986576751 1191044696 /nfs/dbraw/zinc/04/46/96/1191044696.db2.gz KDJLXWITXSIDGE-OAGGEKHMSA-N 2 1 359.474 0.601 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886198 1191116933 /nfs/dbraw/zinc/11/69/33/1191116933.db2.gz HLVNTJVOQHYRRW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886198 1191116936 /nfs/dbraw/zinc/11/69/36/1191116936.db2.gz HLVNTJVOQHYRRW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21)C1CCC1 ZINC001075886198 1191116938 /nfs/dbraw/zinc/11/69/38/1191116938.db2.gz HLVNTJVOQHYRRW-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)n1 ZINC001075887223 1191132462 /nfs/dbraw/zinc/13/24/62/1191132462.db2.gz BRNLTBCKSKOTRG-FUHWJXTLSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)n1 ZINC001075887223 1191132464 /nfs/dbraw/zinc/13/24/64/1191132464.db2.gz BRNLTBCKSKOTRG-FUHWJXTLSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)n1 ZINC001075887223 1191132466 /nfs/dbraw/zinc/13/24/66/1191132466.db2.gz BRNLTBCKSKOTRG-FUHWJXTLSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1cncn1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988146642 1191153456 /nfs/dbraw/zinc/15/34/56/1191153456.db2.gz OSMXDTRPALBZLG-BRWVUGGUSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988146642 1191153459 /nfs/dbraw/zinc/15/34/59/1191153459.db2.gz OSMXDTRPALBZLG-BRWVUGGUSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988146642 1191153461 /nfs/dbraw/zinc/15/34/61/1191153461.db2.gz OSMXDTRPALBZLG-BRWVUGGUSA-N 2 1 361.490 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C)CC[N@H+]1C ZINC000988336473 1191180934 /nfs/dbraw/zinc/18/09/34/1191180934.db2.gz PNYSKHIJFHQYSA-LTIDMASMSA-N 2 1 362.518 0.918 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)C1 ZINC000988363969 1191194132 /nfs/dbraw/zinc/19/41/32/1191194132.db2.gz OGPZIXVKTNVBLZ-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)C1 ZINC000988363969 1191194133 /nfs/dbraw/zinc/19/41/33/1191194133.db2.gz OGPZIXVKTNVBLZ-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618908 1191208619 /nfs/dbraw/zinc/20/86/19/1191208619.db2.gz FMJROIADBQTQJD-SJORKVTESA-N 2 1 366.506 0.794 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)ncn1 ZINC001088574760 1191214423 /nfs/dbraw/zinc/21/44/23/1191214423.db2.gz PAUTYIGSZVTDBP-WBVHZDCISA-N 2 1 371.489 0.936 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)ncn1 ZINC001088574760 1191214424 /nfs/dbraw/zinc/21/44/24/1191214424.db2.gz PAUTYIGSZVTDBP-WBVHZDCISA-N 2 1 371.489 0.936 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CN(C)C)on3)[C@H]2C1 ZINC001218213163 1224147450 /nfs/dbraw/zinc/14/74/50/1224147450.db2.gz CNEYWHISRSWUTR-DLBZAZTESA-N 2 1 366.462 0.686 20 0 FCADMP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CN(C)C)on3)[C@H]2C1 ZINC001218213163 1224147453 /nfs/dbraw/zinc/14/74/53/1224147453.db2.gz CNEYWHISRSWUTR-DLBZAZTESA-N 2 1 366.462 0.686 20 0 FCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001691584524 1193739209 /nfs/dbraw/zinc/73/92/09/1193739209.db2.gz FQKZEETVZJMIKC-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001691584524 1193739211 /nfs/dbraw/zinc/73/92/11/1193739211.db2.gz FQKZEETVZJMIKC-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)n1 ZINC001083465371 1193761964 /nfs/dbraw/zinc/76/19/64/1193761964.db2.gz BDEFHFKZWRGOKH-QRVBRYPASA-N 2 1 358.486 0.702 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)n1 ZINC001083465371 1193761970 /nfs/dbraw/zinc/76/19/70/1193761970.db2.gz BDEFHFKZWRGOKH-QRVBRYPASA-N 2 1 358.486 0.702 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466552 1193820140 /nfs/dbraw/zinc/82/01/40/1193820140.db2.gz ZKGVVGYLLDEDAK-UHOSZYNNSA-N 2 1 361.461 0.871 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466552 1193820141 /nfs/dbraw/zinc/82/01/41/1193820141.db2.gz ZKGVVGYLLDEDAK-UHOSZYNNSA-N 2 1 361.461 0.871 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551166713 1193838374 /nfs/dbraw/zinc/83/83/74/1193838374.db2.gz USTAPXASBZPTLH-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218558328 1224173148 /nfs/dbraw/zinc/17/31/48/1224173148.db2.gz YEEHKSVWEPFBKS-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000990521849 1193872404 /nfs/dbraw/zinc/87/24/04/1193872404.db2.gz GSBUEZMJVZQALV-QYZOEREBSA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000990521849 1193872407 /nfs/dbraw/zinc/87/24/07/1193872407.db2.gz GSBUEZMJVZQALV-QYZOEREBSA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000990521849 1193872409 /nfs/dbraw/zinc/87/24/09/1193872409.db2.gz GSBUEZMJVZQALV-QYZOEREBSA-N 2 1 370.497 0.753 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757214 1193891837 /nfs/dbraw/zinc/89/18/37/1193891837.db2.gz NWSVPKXUZLILTE-AHZKFYHPSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757214 1193891839 /nfs/dbraw/zinc/89/18/39/1193891839.db2.gz NWSVPKXUZLILTE-AHZKFYHPSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757214 1193891840 /nfs/dbraw/zinc/89/18/40/1193891840.db2.gz NWSVPKXUZLILTE-AHZKFYHPSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)ncn1 ZINC001088757214 1193891842 /nfs/dbraw/zinc/89/18/42/1193891842.db2.gz NWSVPKXUZLILTE-AHZKFYHPSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1oncc1CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757453 1193892194 /nfs/dbraw/zinc/89/21/94/1193892194.db2.gz ZYCWXMLHSAUGEX-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757453 1193892196 /nfs/dbraw/zinc/89/21/96/1193892196.db2.gz ZYCWXMLHSAUGEX-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757453 1193892202 /nfs/dbraw/zinc/89/22/02/1193892202.db2.gz ZYCWXMLHSAUGEX-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757453 1193892203 /nfs/dbraw/zinc/89/22/03/1193892203.db2.gz ZYCWXMLHSAUGEX-QEVJQSPQSA-N 2 1 360.458 0.925 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472276 1193901817 /nfs/dbraw/zinc/90/18/17/1193901817.db2.gz PACIGCHOLQTVHW-AXUOBQJMSA-N 2 1 361.486 0.739 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472276 1193901823 /nfs/dbraw/zinc/90/18/23/1193901823.db2.gz PACIGCHOLQTVHW-AXUOBQJMSA-N 2 1 361.486 0.739 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472276 1193901828 /nfs/dbraw/zinc/90/18/28/1193901828.db2.gz PACIGCHOLQTVHW-AXUOBQJMSA-N 2 1 361.486 0.739 20 0 FCADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579267 1224177066 /nfs/dbraw/zinc/17/70/66/1224177066.db2.gz BIFBDQIJZDPSKU-INIZCTEOSA-N 3 1 363.510 0.663 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471646 1193932577 /nfs/dbraw/zinc/93/25/77/1193932577.db2.gz RWPHLBXUDBCAQP-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000552471646 1193932582 /nfs/dbraw/zinc/93/25/82/1193932582.db2.gz RWPHLBXUDBCAQP-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000552471646 1193932587 /nfs/dbraw/zinc/93/25/87/1193932587.db2.gz RWPHLBXUDBCAQP-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000552471646 1193932593 /nfs/dbraw/zinc/93/25/93/1193932593.db2.gz RWPHLBXUDBCAQP-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000552501270 1193934839 /nfs/dbraw/zinc/93/48/39/1193934839.db2.gz SVJGFQNZSHQFKI-QBPKDAKJSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105668046 1193946402 /nfs/dbraw/zinc/94/64/02/1193946402.db2.gz HCJNIPAHPYKXAZ-LTDCPUDJSA-N 2 1 368.522 0.040 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000552747493 1193949398 /nfs/dbraw/zinc/94/93/98/1193949398.db2.gz KNJXXDJSAKTMMW-MRXNPFEDSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000552747493 1193949401 /nfs/dbraw/zinc/94/94/01/1193949401.db2.gz KNJXXDJSAKTMMW-MRXNPFEDSA-N 2 1 361.490 0.885 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000553025320 1193965388 /nfs/dbraw/zinc/96/53/88/1193965388.db2.gz WWSWISZXWSMDNG-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000553025320 1193965392 /nfs/dbraw/zinc/96/53/92/1193965392.db2.gz WWSWISZXWSMDNG-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000553025320 1193965396 /nfs/dbraw/zinc/96/53/96/1193965396.db2.gz WWSWISZXWSMDNG-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000553712359 1194016203 /nfs/dbraw/zinc/01/62/03/1194016203.db2.gz QUKQOISXHUZQBY-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505568 1194051260 /nfs/dbraw/zinc/05/12/60/1194051260.db2.gz TUTYHHWBTKYGOD-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505568 1194051267 /nfs/dbraw/zinc/05/12/67/1194051267.db2.gz TUTYHHWBTKYGOD-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505568 1194051271 /nfs/dbraw/zinc/05/12/71/1194051271.db2.gz TUTYHHWBTKYGOD-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083505568 1194051277 /nfs/dbraw/zinc/05/12/77/1194051277.db2.gz TUTYHHWBTKYGOD-QRVBRYPASA-N 2 1 361.486 0.715 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191460 1194085979 /nfs/dbraw/zinc/08/59/79/1194085979.db2.gz XVKNSSOBQVDQPV-FXAWDEMLSA-N 2 1 358.486 0.822 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(N2CCCC2)[nH+]1 ZINC000842196366 1194087895 /nfs/dbraw/zinc/08/78/95/1194087895.db2.gz WGVGUPBPHKLLRF-ZBFHGGJFSA-N 2 1 357.458 0.427 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228898 1194108569 /nfs/dbraw/zinc/10/85/69/1194108569.db2.gz CDKDGWRPSWFWQX-QZTJIDSGSA-N 2 1 358.486 0.747 20 0 FCADMP CN1CCC[C@@H]1c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC000899159051 1194115190 /nfs/dbraw/zinc/11/51/90/1194115190.db2.gz UMZYRAZBFPLIQP-IIDMSEBBSA-N 3 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC000899159051 1194115193 /nfs/dbraw/zinc/11/51/93/1194115193.db2.gz UMZYRAZBFPLIQP-IIDMSEBBSA-N 3 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC000899159051 1194115196 /nfs/dbraw/zinc/11/51/96/1194115196.db2.gz UMZYRAZBFPLIQP-IIDMSEBBSA-N 3 1 362.522 0.988 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518735 1194124333 /nfs/dbraw/zinc/12/43/33/1194124333.db2.gz OCEKKDKUEOCVFM-NXHRZFHOSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518735 1194124336 /nfs/dbraw/zinc/12/43/36/1194124336.db2.gz OCEKKDKUEOCVFM-NXHRZFHOSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083518735 1194124337 /nfs/dbraw/zinc/12/43/37/1194124337.db2.gz OCEKKDKUEOCVFM-NXHRZFHOSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521946 1194135033 /nfs/dbraw/zinc/13/50/33/1194135033.db2.gz NBPNOEBZYRCDBO-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521946 1194135035 /nfs/dbraw/zinc/13/50/35/1194135035.db2.gz NBPNOEBZYRCDBO-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521946 1194135037 /nfs/dbraw/zinc/13/50/37/1194135037.db2.gz NBPNOEBZYRCDBO-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001083523683 1194146943 /nfs/dbraw/zinc/14/69/43/1194146943.db2.gz NZTDQGQLFSNDRP-SQNIBIBYSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001083523683 1194146946 /nfs/dbraw/zinc/14/69/46/1194146946.db2.gz NZTDQGQLFSNDRP-SQNIBIBYSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001083523683 1194146949 /nfs/dbraw/zinc/14/69/49/1194146949.db2.gz NZTDQGQLFSNDRP-SQNIBIBYSA-N 2 1 361.490 0.451 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001083523683 1194146951 /nfs/dbraw/zinc/14/69/51/1194146951.db2.gz NZTDQGQLFSNDRP-SQNIBIBYSA-N 2 1 361.490 0.451 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524032 1194154771 /nfs/dbraw/zinc/15/47/71/1194154771.db2.gz DVNLJRUDUFKLHR-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524032 1194154776 /nfs/dbraw/zinc/15/47/76/1194154776.db2.gz DVNLJRUDUFKLHR-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524032 1194154779 /nfs/dbraw/zinc/15/47/79/1194154779.db2.gz DVNLJRUDUFKLHR-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524225 1194156619 /nfs/dbraw/zinc/15/66/19/1194156619.db2.gz MTEUIQPJYSEAFY-BBWFWOEESA-N 2 1 366.506 0.031 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088823776 1194169697 /nfs/dbraw/zinc/16/96/97/1194169697.db2.gz CXUIQKFGHHKQJL-KMFMINBZSA-N 2 1 357.462 0.625 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088823776 1194169702 /nfs/dbraw/zinc/16/97/02/1194169702.db2.gz CXUIQKFGHHKQJL-KMFMINBZSA-N 2 1 357.462 0.625 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001691626546 1194322200 /nfs/dbraw/zinc/32/22/00/1194322200.db2.gz JEDHXAYXRXMHJK-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161575 1194335541 /nfs/dbraw/zinc/33/55/41/1194335541.db2.gz OMXAJIAVHKSFQV-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161575 1194335542 /nfs/dbraw/zinc/33/55/42/1194335542.db2.gz OMXAJIAVHKSFQV-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161575 1194335544 /nfs/dbraw/zinc/33/55/44/1194335544.db2.gz OMXAJIAVHKSFQV-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001076161575 1194335546 /nfs/dbraw/zinc/33/55/46/1194335546.db2.gz OMXAJIAVHKSFQV-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001076174679 1194338496 /nfs/dbraw/zinc/33/84/96/1194338496.db2.gz WQECKXALAOVBPH-KSZLIROESA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cccn4)C[C@H]32)C1 ZINC001076174679 1194338500 /nfs/dbraw/zinc/33/85/00/1194338500.db2.gz WQECKXALAOVBPH-KSZLIROESA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC001076174679 1194338504 /nfs/dbraw/zinc/33/85/04/1194338504.db2.gz WQECKXALAOVBPH-KSZLIROESA-N 2 1 361.490 0.525 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC001076174679 1194338510 /nfs/dbraw/zinc/33/85/10/1194338510.db2.gz WQECKXALAOVBPH-KSZLIROESA-N 2 1 361.490 0.525 20 0 FCADMP CC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794351 1224209330 /nfs/dbraw/zinc/20/93/30/1224209330.db2.gz HRIHURKQSISFCJ-MUKKUYKPSA-N 2 1 367.490 0.554 20 0 FCADMP CC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794351 1224209339 /nfs/dbraw/zinc/20/93/39/1224209339.db2.gz HRIHURKQSISFCJ-MUKKUYKPSA-N 2 1 367.490 0.554 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001076204098 1194352608 /nfs/dbraw/zinc/35/26/08/1194352608.db2.gz RGXYQJRACWOMKX-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cnn(CC[NH+](C)C)c4)[C@@H]3C2)cn1 ZINC001076344914 1194407282 /nfs/dbraw/zinc/40/72/82/1194407282.db2.gz GCRYRLLHQOUWGW-FUHWJXTLSA-N 2 1 371.489 0.525 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnn(CC[NH+](C)C)c4)[C@@H]3C2)cn1 ZINC001076344914 1194407288 /nfs/dbraw/zinc/40/72/88/1194407288.db2.gz GCRYRLLHQOUWGW-FUHWJXTLSA-N 2 1 371.489 0.525 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001076398830 1194454773 /nfs/dbraw/zinc/45/47/73/1194454773.db2.gz IGOORHQKVXESRJ-DLBZAZTESA-N 2 1 363.506 0.276 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001076398858 1194455443 /nfs/dbraw/zinc/45/54/43/1194455443.db2.gz JPIDTGVOJKPHOB-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000938211762 1194530390 /nfs/dbraw/zinc/53/03/90/1194530390.db2.gz SCCHBJCNHQNHBX-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000938211762 1194530398 /nfs/dbraw/zinc/53/03/98/1194530398.db2.gz SCCHBJCNHQNHBX-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076576397 1194583449 /nfs/dbraw/zinc/58/34/49/1194583449.db2.gz JCQSAYZZIOWFML-OKZBNKHCSA-N 2 1 361.490 0.384 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076576397 1194583452 /nfs/dbraw/zinc/58/34/52/1194583452.db2.gz JCQSAYZZIOWFML-OKZBNKHCSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)cc1 ZINC001218855639 1224241163 /nfs/dbraw/zinc/24/11/63/1224241163.db2.gz LMRYQHCMIYHVKT-QGZVFWFLSA-N 2 1 372.473 0.990 20 0 FCADMP C[C@@H](CCNC(=O)CCC[NH+]1CCCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076909911 1195067276 /nfs/dbraw/zinc/06/72/76/1195067276.db2.gz ZVZAMXVXPCKOKQ-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CCNC(=O)CCC[NH+]1CCCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076909911 1195067279 /nfs/dbraw/zinc/06/72/79/1195067279.db2.gz ZVZAMXVXPCKOKQ-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560307 1195155977 /nfs/dbraw/zinc/15/59/77/1195155977.db2.gz ZQGWGPNMKISPAF-MSOLQXFVSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560307 1195155985 /nfs/dbraw/zinc/15/59/85/1195155985.db2.gz ZQGWGPNMKISPAF-MSOLQXFVSA-N 2 1 358.486 0.927 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077128815 1195244186 /nfs/dbraw/zinc/24/41/86/1195244186.db2.gz GFGTVILLFWBFHM-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128815 1195244190 /nfs/dbraw/zinc/24/41/90/1195244190.db2.gz GFGTVILLFWBFHM-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001077128815 1195244193 /nfs/dbraw/zinc/24/41/93/1195244193.db2.gz GFGTVILLFWBFHM-GUDVDZBRSA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077131400 1195247798 /nfs/dbraw/zinc/24/77/98/1195247798.db2.gz ZCDZLSKZKNYXIR-IXDOHACOSA-N 2 1 362.474 0.739 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077131400 1195247803 /nfs/dbraw/zinc/24/78/03/1195247803.db2.gz ZCDZLSKZKNYXIR-IXDOHACOSA-N 2 1 362.474 0.739 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001077148905 1195271444 /nfs/dbraw/zinc/27/14/44/1195271444.db2.gz JINLLLZIGQUWOR-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001077148905 1195271451 /nfs/dbraw/zinc/27/14/51/1195271451.db2.gz JINLLLZIGQUWOR-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001077148905 1195271455 /nfs/dbraw/zinc/27/14/55/1195271455.db2.gz JINLLLZIGQUWOR-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001077148905 1195271463 /nfs/dbraw/zinc/27/14/63/1195271463.db2.gz JINLLLZIGQUWOR-ARFHVFGLSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276800464 1224274618 /nfs/dbraw/zinc/27/46/18/1224274618.db2.gz SGFPWNPOGQWKBJ-LPHOPBHVSA-N 2 1 364.490 0.984 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001077300042 1195399875 /nfs/dbraw/zinc/39/98/75/1195399875.db2.gz UZKNUQVBGRPBCN-IAGOWNOFSA-N 2 1 361.490 0.235 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001077300042 1195399881 /nfs/dbraw/zinc/39/98/81/1195399881.db2.gz UZKNUQVBGRPBCN-IAGOWNOFSA-N 2 1 361.490 0.235 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308735 1195410046 /nfs/dbraw/zinc/41/00/46/1195410046.db2.gz JOICOPUFZYXKSI-BMGDILEWSA-N 2 1 358.442 0.926 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366517 1195466433 /nfs/dbraw/zinc/46/64/33/1195466433.db2.gz MMVTZMGDXXEZQB-ZTFGCOKTSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077399446 1195499378 /nfs/dbraw/zinc/49/93/78/1195499378.db2.gz KDGBKSJYSYUJOB-QGPMSJSTSA-N 2 1 362.474 0.492 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077399446 1195499382 /nfs/dbraw/zinc/49/93/82/1195499382.db2.gz KDGBKSJYSYUJOB-QGPMSJSTSA-N 2 1 362.474 0.492 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)c2)CCO1 ZINC000905062316 1195574587 /nfs/dbraw/zinc/57/45/87/1195574587.db2.gz WLUROLCOJCYQDD-AHRSYUTCSA-N 2 1 364.486 0.899 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)c2)CCO1 ZINC000905062316 1195574595 /nfs/dbraw/zinc/57/45/95/1195574595.db2.gz WLUROLCOJCYQDD-AHRSYUTCSA-N 2 1 364.486 0.899 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906763923 1195657769 /nfs/dbraw/zinc/65/77/69/1195657769.db2.gz SRCURZSTVXYTEJ-UHFFFAOYSA-N 2 1 373.545 0.760 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906763923 1195657770 /nfs/dbraw/zinc/65/77/70/1195657770.db2.gz SRCURZSTVXYTEJ-UHFFFAOYSA-N 2 1 373.545 0.760 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cn1 ZINC001083601933 1195664096 /nfs/dbraw/zinc/66/40/96/1195664096.db2.gz UZKNUQVBGRPBCN-SJORKVTESA-N 2 1 361.490 0.235 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cn1 ZINC001083601933 1195664098 /nfs/dbraw/zinc/66/40/98/1195664098.db2.gz UZKNUQVBGRPBCN-SJORKVTESA-N 2 1 361.490 0.235 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000906853028 1195669461 /nfs/dbraw/zinc/66/94/61/1195669461.db2.gz QTCJVWRHJDVWLK-FQEVSTJZSA-N 2 1 360.502 0.233 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000906853028 1195669464 /nfs/dbraw/zinc/66/94/64/1195669464.db2.gz QTCJVWRHJDVWLK-FQEVSTJZSA-N 2 1 360.502 0.233 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000906853028 1195669472 /nfs/dbraw/zinc/66/94/72/1195669472.db2.gz QTCJVWRHJDVWLK-FQEVSTJZSA-N 2 1 360.502 0.233 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155830 1195681558 /nfs/dbraw/zinc/68/15/58/1195681558.db2.gz LTNQNSZZSVMSAQ-VQTJNVASSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155830 1195681564 /nfs/dbraw/zinc/68/15/64/1195681564.db2.gz LTNQNSZZSVMSAQ-VQTJNVASSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000907155830 1195681567 /nfs/dbraw/zinc/68/15/67/1195681567.db2.gz LTNQNSZZSVMSAQ-VQTJNVASSA-N 2 1 374.529 0.479 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000910681013 1195832617 /nfs/dbraw/zinc/83/26/17/1195832617.db2.gz YFVLYYXXHBIMHB-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000910681013 1195832619 /nfs/dbraw/zinc/83/26/19/1195832619.db2.gz YFVLYYXXHBIMHB-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1 ZINC000910843019 1195849414 /nfs/dbraw/zinc/84/94/14/1195849414.db2.gz JJFJVTYNUXABNG-UHFFFAOYSA-N 2 1 373.501 0.967 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911001855 1195877031 /nfs/dbraw/zinc/87/70/31/1195877031.db2.gz YCGXRDMFNZUDPN-JKSUJKDBSA-N 2 1 368.441 0.260 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000911052623 1195879057 /nfs/dbraw/zinc/87/90/57/1195879057.db2.gz DWMCPTNSLOAXNV-YHUYYLMFSA-N 2 1 366.506 0.058 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000911080631 1195883911 /nfs/dbraw/zinc/88/39/11/1195883911.db2.gz PHCALIYILRKXNZ-MRXNPFEDSA-N 2 1 360.458 0.001 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000911240965 1195921265 /nfs/dbraw/zinc/92/12/65/1195921265.db2.gz BTOIKIMNMIOTEJ-GDAAHCPNSA-N 2 1 370.497 0.834 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC000911359245 1195941308 /nfs/dbraw/zinc/94/13/08/1195941308.db2.gz XJWTWCAYJIBWRB-IPMKNSEASA-N 2 1 370.497 0.753 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219066140 1224333565 /nfs/dbraw/zinc/33/35/65/1224333565.db2.gz XOJGKGBNFJMHLD-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219066140 1224333575 /nfs/dbraw/zinc/33/35/75/1224333575.db2.gz XOJGKGBNFJMHLD-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@H](C(=O)N3CC[NH2+]CC3)C1)CC2 ZINC000911702479 1196308384 /nfs/dbraw/zinc/30/83/84/1196308384.db2.gz LAZRPAZLKKJQCG-HOTGVXAUSA-N 2 1 359.474 0.424 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358245 1196318895 /nfs/dbraw/zinc/31/88/95/1196318895.db2.gz IAQRTIZPBLDCMF-VYCZESIESA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cncn2C)CC3)O1 ZINC000991358245 1196318899 /nfs/dbraw/zinc/31/88/99/1196318899.db2.gz IAQRTIZPBLDCMF-VYCZESIESA-N 2 1 361.490 0.752 20 0 FCADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000913040762 1196390864 /nfs/dbraw/zinc/39/08/64/1196390864.db2.gz PTUYHQXLHJPGLO-VMPITWQZSA-N 2 1 374.485 0.706 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592564652 1196569170 /nfs/dbraw/zinc/56/91/70/1196569170.db2.gz NQXYOBVENXSZIV-UONOGXRCSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592564652 1196569173 /nfs/dbraw/zinc/56/91/73/1196569173.db2.gz NQXYOBVENXSZIV-UONOGXRCSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@H](C)C1 ZINC000592564653 1196569599 /nfs/dbraw/zinc/56/95/99/1196569599.db2.gz NQXYOBVENXSZIV-ZIAGYGMSSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@H](C)C1 ZINC000592564653 1196569604 /nfs/dbraw/zinc/56/96/04/1196569604.db2.gz NQXYOBVENXSZIV-ZIAGYGMSSA-N 2 1 363.462 0.429 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)C1 ZINC000592964460 1196597154 /nfs/dbraw/zinc/59/71/54/1196597154.db2.gz GVJVUWXNYSTBBA-JKSUJKDBSA-N 2 1 360.506 0.571 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592956654 1196600473 /nfs/dbraw/zinc/60/04/73/1196600473.db2.gz IJDDRLYZOULFAL-MRXNPFEDSA-N 2 1 362.522 0.723 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945049 1196748489 /nfs/dbraw/zinc/74/84/89/1196748489.db2.gz JETMHOLLYDFPKF-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088898928 1196831127 /nfs/dbraw/zinc/83/11/27/1196831127.db2.gz BTHXUKWIVBUQSK-NXHRZFHOSA-N 2 1 363.506 0.555 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052971 1196876435 /nfs/dbraw/zinc/87/64/35/1196876435.db2.gz GGSMYVVLCSHFPW-SQNIBIBYSA-N 2 1 363.506 0.800 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052971 1196876437 /nfs/dbraw/zinc/87/64/37/1196876437.db2.gz GGSMYVVLCSHFPW-SQNIBIBYSA-N 2 1 363.506 0.800 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052971 1196876440 /nfs/dbraw/zinc/87/64/40/1196876440.db2.gz GGSMYVVLCSHFPW-SQNIBIBYSA-N 2 1 363.506 0.800 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3nc(C)cc3C)[C@@H]2C)C1 ZINC001089052971 1196876442 /nfs/dbraw/zinc/87/64/42/1196876442.db2.gz GGSMYVVLCSHFPW-SQNIBIBYSA-N 2 1 363.506 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000992371177 1197080072 /nfs/dbraw/zinc/08/00/72/1197080072.db2.gz JXZGMWSWBOVLEJ-GOEBONIOSA-N 2 1 359.474 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000992398367 1197087284 /nfs/dbraw/zinc/08/72/84/1197087284.db2.gz BPQHHYIEODPAAS-KSZLIROESA-N 2 1 362.518 0.918 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001083696340 1197102414 /nfs/dbraw/zinc/10/24/14/1197102414.db2.gz WBULQEQHLRTWPB-CABCVRRESA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001083696340 1197102418 /nfs/dbraw/zinc/10/24/18/1197102418.db2.gz WBULQEQHLRTWPB-CABCVRRESA-N 2 1 365.478 0.346 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001219262273 1224406627 /nfs/dbraw/zinc/40/66/27/1224406627.db2.gz RFLMKQGAFBOFDC-LJQANCHMSA-N 2 1 373.457 0.871 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219260206 1224407485 /nfs/dbraw/zinc/40/74/85/1224407485.db2.gz LFQHNFTUHGWAGD-TZMCWYRMSA-N 2 1 360.414 0.513 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719707 1197651638 /nfs/dbraw/zinc/65/16/38/1197651638.db2.gz RXISNQHHUJUFTQ-KSZLIROESA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719707 1197651641 /nfs/dbraw/zinc/65/16/41/1197651641.db2.gz RXISNQHHUJUFTQ-KSZLIROESA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083719707 1197651645 /nfs/dbraw/zinc/65/16/45/1197651645.db2.gz RXISNQHHUJUFTQ-KSZLIROESA-N 2 1 363.506 0.246 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719767 1197653044 /nfs/dbraw/zinc/65/30/44/1197653044.db2.gz UXGDKIWNCNYLBK-JQHSSLGASA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719767 1197653047 /nfs/dbraw/zinc/65/30/47/1197653047.db2.gz UXGDKIWNCNYLBK-JQHSSLGASA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719767 1197653049 /nfs/dbraw/zinc/65/30/49/1197653049.db2.gz UXGDKIWNCNYLBK-JQHSSLGASA-N 2 1 363.506 0.246 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033695 1197702899 /nfs/dbraw/zinc/70/28/99/1197702899.db2.gz SCLUNKYGLUOWSM-MDZRGWNJSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)O1 ZINC001085243129 1197740369 /nfs/dbraw/zinc/74/03/69/1197740369.db2.gz WFHZUACIMRDFLN-VDHUWJSZSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)O1 ZINC001085243129 1197740379 /nfs/dbraw/zinc/74/03/79/1197740379.db2.gz WFHZUACIMRDFLN-VDHUWJSZSA-N 2 1 363.506 0.699 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274353 1197744107 /nfs/dbraw/zinc/74/41/07/1197744107.db2.gz HITDELSPWBGJTD-FGTMMUONSA-N 2 1 366.506 0.792 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279356 1197786868 /nfs/dbraw/zinc/78/68/68/1197786868.db2.gz FZCBHBYKUVGRNA-SFGPOHQJSA-N 2 1 361.446 0.450 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279356 1197786883 /nfs/dbraw/zinc/78/68/83/1197786883.db2.gz FZCBHBYKUVGRNA-SFGPOHQJSA-N 2 1 361.446 0.450 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667525 1197801768 /nfs/dbraw/zinc/80/17/68/1197801768.db2.gz HGTLRSLTSZGCAU-KSZLIROESA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667525 1197801772 /nfs/dbraw/zinc/80/17/72/1197801772.db2.gz HGTLRSLTSZGCAU-KSZLIROESA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000734667525 1197801775 /nfs/dbraw/zinc/80/17/75/1197801775.db2.gz HGTLRSLTSZGCAU-KSZLIROESA-N 2 1 365.522 0.271 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4ccnc4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993081639 1197803729 /nfs/dbraw/zinc/80/37/29/1197803729.db2.gz PDEYFLBXMODYFR-YYAJDYIMSA-N 2 1 359.474 0.530 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001085422017 1197887025 /nfs/dbraw/zinc/88/70/25/1197887025.db2.gz FFNOUJWMBGYMFO-RRFJBIMHSA-N 2 1 362.478 0.277 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001085422017 1197887029 /nfs/dbraw/zinc/88/70/29/1197887029.db2.gz FFNOUJWMBGYMFO-RRFJBIMHSA-N 2 1 362.478 0.277 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855487 1197893799 /nfs/dbraw/zinc/89/37/99/1197893799.db2.gz FKBSZSNNNJARLH-QWFCFKBJSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855487 1197893802 /nfs/dbraw/zinc/89/38/02/1197893802.db2.gz FKBSZSNNNJARLH-QWFCFKBJSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000735855487 1197893804 /nfs/dbraw/zinc/89/38/04/1197893804.db2.gz FKBSZSNNNJARLH-QWFCFKBJSA-N 2 1 359.470 0.603 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106433147 1197923830 /nfs/dbraw/zinc/92/38/30/1197923830.db2.gz CCSYOTLVDSVGQF-OIISXLGYSA-N 2 1 360.462 0.133 20 0 FCADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000915062466 1197932949 /nfs/dbraw/zinc/93/29/49/1197932949.db2.gz IGYNLCAVAGOUER-GOSISDBHSA-N 2 1 366.506 0.166 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106577632 1198020659 /nfs/dbraw/zinc/02/06/59/1198020659.db2.gz OUQCONKHQJFEEV-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)C1 ZINC001106577632 1198020670 /nfs/dbraw/zinc/02/06/70/1198020670.db2.gz OUQCONKHQJFEEV-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066358767 1198084154 /nfs/dbraw/zinc/08/41/54/1198084154.db2.gz HBNGOBORMCUPTR-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066358767 1198084166 /nfs/dbraw/zinc/08/41/66/1198084166.db2.gz HBNGOBORMCUPTR-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066358767 1198084176 /nfs/dbraw/zinc/08/41/76/1198084176.db2.gz HBNGOBORMCUPTR-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066358767 1198084187 /nfs/dbraw/zinc/08/41/87/1198084187.db2.gz HBNGOBORMCUPTR-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133751 1199047320 /nfs/dbraw/zinc/04/73/20/1199047320.db2.gz JPRWXELMIDAUER-XFKSJGNHSA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169133751 1199047330 /nfs/dbraw/zinc/04/73/30/1199047330.db2.gz JPRWXELMIDAUER-XFKSJGNHSA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169133751 1199047343 /nfs/dbraw/zinc/04/73/43/1199047343.db2.gz JPRWXELMIDAUER-XFKSJGNHSA-N 2 1 364.534 0.772 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)CC1 ZINC001169255946 1199059902 /nfs/dbraw/zinc/05/99/02/1199059902.db2.gz WGPMKFASXRQTFR-KZNAEPCWSA-N 2 1 361.490 0.866 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)CC1 ZINC001169255946 1199059910 /nfs/dbraw/zinc/05/99/10/1199059910.db2.gz WGPMKFASXRQTFR-KZNAEPCWSA-N 2 1 361.490 0.866 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC001169402221 1199061956 /nfs/dbraw/zinc/06/19/56/1199061956.db2.gz BBPQZFANKIAAJM-DLBZAZTESA-N 2 1 367.490 0.583 20 0 FCADMP CC(=O)N1CC[C@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169545443 1199075536 /nfs/dbraw/zinc/07/55/36/1199075536.db2.gz LRNGAYJFLFDFOB-INIZCTEOSA-N 2 1 358.490 0.250 20 0 FCADMP CC(=O)N1CC[C@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169545443 1199075540 /nfs/dbraw/zinc/07/55/40/1199075540.db2.gz LRNGAYJFLFDFOB-INIZCTEOSA-N 2 1 358.490 0.250 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337436 1199078982 /nfs/dbraw/zinc/07/89/82/1199078982.db2.gz HOFPRPGRSVZUOH-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337435 1199079541 /nfs/dbraw/zinc/07/95/41/1199079541.db2.gz HOFPRPGRSVZUOH-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP [NH3+]C1CCN(c2nc(NCc3ccc(N4CCOCC4)nn3)cc[nH+]2)CC1 ZINC001169740658 1199086899 /nfs/dbraw/zinc/08/68/99/1199086899.db2.gz ZWPVTCCAAHZGFA-UHFFFAOYSA-N 2 1 370.461 0.643 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369805 1199130960 /nfs/dbraw/zinc/13/09/60/1199130960.db2.gz HJLKGICHTHXNLD-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369805 1199130963 /nfs/dbraw/zinc/13/09/63/1199130963.db2.gz HJLKGICHTHXNLD-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129369805 1199130969 /nfs/dbraw/zinc/13/09/69/1199130969.db2.gz HJLKGICHTHXNLD-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]C[C@H]1O ZINC001219726975 1224579645 /nfs/dbraw/zinc/57/96/45/1224579645.db2.gz TTZSLCUABTWABX-CEXWTWQISA-N 3 1 372.513 0.185 20 0 FCADMP [NH3+]CCNCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728578 1224580841 /nfs/dbraw/zinc/58/08/41/1224580841.db2.gz BEGMSMGZNAXSLE-SFHVURJKSA-N 3 1 359.518 0.153 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129381047 1200040316 /nfs/dbraw/zinc/04/03/16/1200040316.db2.gz HVHGVXWTEPLLPP-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129381047 1200040325 /nfs/dbraw/zinc/04/03/25/1200040325.db2.gz HVHGVXWTEPLLPP-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294803 1200152862 /nfs/dbraw/zinc/15/28/62/1200152862.db2.gz TTZLBYBDPKPHPH-QZWWFDLISA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294803 1200152875 /nfs/dbraw/zinc/15/28/75/1200152875.db2.gz TTZLBYBDPKPHPH-QZWWFDLISA-N 2 1 362.518 0.964 20 0 FCADMP COc1ccc(C2(C(=O)NC[C@H]3C[C@H]4CNCC[N@H+]4C3)CC[NH2+]CC2)cc1 ZINC001219766361 1224601957 /nfs/dbraw/zinc/60/19/57/1224601957.db2.gz RAMFIJWMSUHBME-AEFFLSMTSA-N 2 1 372.513 0.726 20 0 FCADMP COc1ccc(C2(C(=O)NC[C@H]3C[C@H]4C[NH2+]CCN4C3)CC[NH2+]CC2)cc1 ZINC001219766361 1224601964 /nfs/dbraw/zinc/60/19/64/1224601964.db2.gz RAMFIJWMSUHBME-AEFFLSMTSA-N 2 1 372.513 0.726 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001109645986 1200437224 /nfs/dbraw/zinc/43/72/24/1200437224.db2.gz BYLQJUQVSHLVPN-MVJTYMMSSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001109645986 1200437226 /nfs/dbraw/zinc/43/72/26/1200437226.db2.gz BYLQJUQVSHLVPN-MVJTYMMSSA-N 2 1 362.474 0.484 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001109719866 1200486707 /nfs/dbraw/zinc/48/67/07/1200486707.db2.gz PCKJIQRTFCMEAR-PASDCYSWSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001109719866 1200486711 /nfs/dbraw/zinc/48/67/11/1200486711.db2.gz PCKJIQRTFCMEAR-PASDCYSWSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001109719866 1200486712 /nfs/dbraw/zinc/48/67/12/1200486712.db2.gz PCKJIQRTFCMEAR-PASDCYSWSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794791 1224615700 /nfs/dbraw/zinc/61/57/00/1224615700.db2.gz OSGBDMCZRLWZSQ-KURKYZTESA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794791 1224615702 /nfs/dbraw/zinc/61/57/02/1224615702.db2.gz OSGBDMCZRLWZSQ-KURKYZTESA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794791 1224615706 /nfs/dbraw/zinc/61/57/06/1224615706.db2.gz OSGBDMCZRLWZSQ-KURKYZTESA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794791 1224615709 /nfs/dbraw/zinc/61/57/09/1224615709.db2.gz OSGBDMCZRLWZSQ-KURKYZTESA-N 2 1 369.506 0.216 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219795684 1224615996 /nfs/dbraw/zinc/61/59/96/1224615996.db2.gz DQOFXNIIWAMQKY-IBGZPJMESA-N 2 1 363.550 0.393 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CCC1 ZINC001219802603 1224621973 /nfs/dbraw/zinc/62/19/73/1224621973.db2.gz WAJDOOCVCPYXHR-MSOLQXFVSA-N 2 1 359.470 0.862 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)CCC1 ZINC001219802603 1224621976 /nfs/dbraw/zinc/62/19/76/1224621976.db2.gz WAJDOOCVCPYXHR-MSOLQXFVSA-N 2 1 359.470 0.862 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219804567 1224624021 /nfs/dbraw/zinc/62/40/21/1224624021.db2.gz ZUXLJUPRXYYHSG-QYZOEREBSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219804567 1224624028 /nfs/dbraw/zinc/62/40/28/1224624028.db2.gz ZUXLJUPRXYYHSG-QYZOEREBSA-N 2 1 361.486 0.835 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805854 1224625701 /nfs/dbraw/zinc/62/57/01/1224625701.db2.gz UHXNFEQHWAGGMV-QYZOEREBSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805854 1224625704 /nfs/dbraw/zinc/62/57/04/1224625704.db2.gz UHXNFEQHWAGGMV-QYZOEREBSA-N 2 1 361.486 0.875 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219806300 1224625775 /nfs/dbraw/zinc/62/57/75/1224625775.db2.gz QREMQQQYAYNABO-AWEZNQCLSA-N 2 1 359.474 0.523 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006929 1200698844 /nfs/dbraw/zinc/69/88/44/1200698844.db2.gz AERFARSHGUNZRG-BDXSIMOUSA-N 2 1 371.522 0.464 20 0 FCADMP CC(C)N(C(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)C(C)C ZINC001219813977 1224629917 /nfs/dbraw/zinc/62/99/17/1224629917.db2.gz NJRDOWQCCYHGRQ-SJORKVTESA-N 2 1 368.522 0.277 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815743 1224632251 /nfs/dbraw/zinc/63/22/51/1224632251.db2.gz IBQDLOTXAFDJRB-KURKYZTESA-N 2 1 365.449 0.505 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815743 1224632255 /nfs/dbraw/zinc/63/22/55/1224632255.db2.gz IBQDLOTXAFDJRB-KURKYZTESA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815743 1224632258 /nfs/dbraw/zinc/63/22/58/1224632258.db2.gz IBQDLOTXAFDJRB-KURKYZTESA-N 2 1 365.449 0.505 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O)C1CCC1 ZINC001219815743 1224632267 /nfs/dbraw/zinc/63/22/67/1224632267.db2.gz IBQDLOTXAFDJRB-KURKYZTESA-N 2 1 365.449 0.505 20 0 FCADMP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001112578188 1200816679 /nfs/dbraw/zinc/81/66/79/1200816679.db2.gz CFWAHTBLOAYBLU-FTRWYGJKSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001112586248 1200822727 /nfs/dbraw/zinc/82/27/27/1200822727.db2.gz PEGHHGTZKGMJGD-VKJFTORMSA-N 2 1 363.510 0.830 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129393537 1200926935 /nfs/dbraw/zinc/92/69/35/1200926935.db2.gz NYQNBRFESWJZSX-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607396 1201188576 /nfs/dbraw/zinc/18/85/76/1201188576.db2.gz YYBOZTWXBVFYDR-JCGIZDLHSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607396 1201188581 /nfs/dbraw/zinc/18/85/81/1201188581.db2.gz YYBOZTWXBVFYDR-JCGIZDLHSA-N 2 1 358.486 0.786 20 0 FCADMP Cn1cncc1CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129412263 1201300062 /nfs/dbraw/zinc/30/00/62/1201300062.db2.gz OLZJDXVLCVBHFM-SJORKVTESA-N 2 1 357.462 0.786 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400422 1201307099 /nfs/dbraw/zinc/30/70/99/1201307099.db2.gz NPQCBDNCOZGGGJ-BBWFWOEESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400422 1201307104 /nfs/dbraw/zinc/30/71/04/1201307104.db2.gz NPQCBDNCOZGGGJ-BBWFWOEESA-N 2 1 366.510 0.777 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129400422 1201307107 /nfs/dbraw/zinc/30/71/07/1201307107.db2.gz NPQCBDNCOZGGGJ-BBWFWOEESA-N 2 1 366.510 0.777 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453978 1201312309 /nfs/dbraw/zinc/31/23/09/1201312309.db2.gz SLGMTKPBNUSNFP-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001219874685 1224667068 /nfs/dbraw/zinc/66/70/68/1224667068.db2.gz CTDJDMZZCTVPSW-KURKYZTESA-N 2 1 362.474 0.647 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001219874685 1224667072 /nfs/dbraw/zinc/66/70/72/1224667072.db2.gz CTDJDMZZCTVPSW-KURKYZTESA-N 2 1 362.474 0.647 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001219877904 1224667864 /nfs/dbraw/zinc/66/78/64/1224667864.db2.gz URWOMCKACUEURF-SJORKVTESA-N 2 1 369.506 0.075 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129684279 1201370096 /nfs/dbraw/zinc/37/00/96/1201370096.db2.gz HBDCWMHNLNALFV-ZACQAIPSSA-N 2 1 362.478 0.283 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130081508 1201492885 /nfs/dbraw/zinc/49/28/85/1201492885.db2.gz RWEKVAYAAWFYTO-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107667 1201502837 /nfs/dbraw/zinc/50/28/37/1201502837.db2.gz UTZPWJIPDRJHPB-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCOc1ccc(OCC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130182699 1201535217 /nfs/dbraw/zinc/53/52/17/1201535217.db2.gz UCSRNWSLEGEKOV-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP CCOc1ccc(OCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130182699 1201535220 /nfs/dbraw/zinc/53/52/20/1201535220.db2.gz UCSRNWSLEGEKOV-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130215957 1201547113 /nfs/dbraw/zinc/54/71/13/1201547113.db2.gz JSONXIGQCIIOLS-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001130215957 1201547114 /nfs/dbraw/zinc/54/71/14/1201547114.db2.gz JSONXIGQCIIOLS-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001130215957 1201547115 /nfs/dbraw/zinc/54/71/15/1201547115.db2.gz JSONXIGQCIIOLS-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001130215957 1201547116 /nfs/dbraw/zinc/54/71/16/1201547116.db2.gz JSONXIGQCIIOLS-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001130215957 1201547118 /nfs/dbraw/zinc/54/71/18/1201547118.db2.gz JSONXIGQCIIOLS-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1 ZINC001130242169 1201562759 /nfs/dbraw/zinc/56/27/59/1201562759.db2.gz JXWOXYDFIVIVHQ-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219941330 1224692693 /nfs/dbraw/zinc/69/26/93/1224692693.db2.gz VKBMXJSRJFGJAL-ROUUACIJSA-N 2 1 358.486 0.345 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940908 1224692711 /nfs/dbraw/zinc/69/27/11/1224692711.db2.gz IDBRGILUCGKQKH-AZUAARDMSA-N 3 1 373.545 0.765 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940908 1224692715 /nfs/dbraw/zinc/69/27/15/1224692715.db2.gz IDBRGILUCGKQKH-AZUAARDMSA-N 2 1 373.545 0.765 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940908 1224692720 /nfs/dbraw/zinc/69/27/20/1224692720.db2.gz IDBRGILUCGKQKH-AZUAARDMSA-N 2 1 373.545 0.765 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1[nH]nc2ccccc21 ZINC001220046744 1224737054 /nfs/dbraw/zinc/73/70/54/1224737054.db2.gz BVHGDZMFPYNERB-YOEHRIQHSA-N 2 1 372.473 0.626 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209784 1202714297 /nfs/dbraw/zinc/71/42/97/1202714297.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C(C)C ZINC000806209784 1202714299 /nfs/dbraw/zinc/71/42/99/1202714299.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C(C)C ZINC000806209784 1202714302 /nfs/dbraw/zinc/71/43/02/1202714302.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209784 1202714305 /nfs/dbraw/zinc/71/43/05/1202714305.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209784 1202714307 /nfs/dbraw/zinc/71/43/07/1202714307.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 2 1 367.538 0.118 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130615530 1202732994 /nfs/dbraw/zinc/73/29/94/1202732994.db2.gz UXORYHOVOQYRHH-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000806813748 1202777077 /nfs/dbraw/zinc/77/70/77/1202777077.db2.gz ANQDYACOKKKXLM-SOLBZPMBSA-N 2 1 368.522 0.726 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](F)C[NH+](CC)CC)n[nH]2)O1 ZINC001130785264 1202788755 /nfs/dbraw/zinc/78/87/55/1202788755.db2.gz IKEGHKXOFPEMPI-MELADBBJSA-N 2 1 370.473 0.930 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220073538 1224745997 /nfs/dbraw/zinc/74/59/97/1224745997.db2.gz HIBLVHCASNNDIR-CVEARBPZSA-N 2 1 351.410 0.701 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220073540 1224746225 /nfs/dbraw/zinc/74/62/25/1224746225.db2.gz HIBLVHCASNNDIR-HZPDHXFCSA-N 2 1 351.410 0.701 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817580 1202808672 /nfs/dbraw/zinc/80/86/72/1202808672.db2.gz UJCLCRQNLZWMOS-QLFBSQMISA-N 2 1 364.494 0.838 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817580 1202808673 /nfs/dbraw/zinc/80/86/73/1202808673.db2.gz UJCLCRQNLZWMOS-QLFBSQMISA-N 2 1 364.494 0.838 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817580 1202808675 /nfs/dbraw/zinc/80/86/75/1202808675.db2.gz UJCLCRQNLZWMOS-QLFBSQMISA-N 2 1 364.494 0.838 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003981 1202841272 /nfs/dbraw/zinc/84/12/72/1202841272.db2.gz VUUWORNPIHFGAC-ZACQAIPSSA-N 2 1 363.506 0.825 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031360 1202846140 /nfs/dbraw/zinc/84/61/40/1202846140.db2.gz LUGNUXXIHSFYCS-HZPDHXFCSA-N 2 1 360.462 0.546 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccon1 ZINC001131059926 1202853980 /nfs/dbraw/zinc/85/39/80/1202853980.db2.gz PMWXTWJGQQVXFJ-HZPDHXFCSA-N 2 1 360.462 0.834 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070497 1202856658 /nfs/dbraw/zinc/85/66/58/1202856658.db2.gz YPBSCYWSFNKEKY-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131130537 1202869178 /nfs/dbraw/zinc/86/91/78/1202869178.db2.gz RKVTVIFWAYMYTM-GVDBMIGSSA-N 2 1 365.522 0.805 20 0 FCADMP COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318863 1202886976 /nfs/dbraw/zinc/88/69/76/1202886976.db2.gz UXYXTVJPRXXOKS-XHSDSOJGSA-N 2 1 368.478 0.079 20 0 FCADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318863 1202886978 /nfs/dbraw/zinc/88/69/78/1202886978.db2.gz UXYXTVJPRXXOKS-XHSDSOJGSA-N 2 1 368.478 0.079 20 0 FCADMP COCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318863 1202886979 /nfs/dbraw/zinc/88/69/79/1202886979.db2.gz UXYXTVJPRXXOKS-XHSDSOJGSA-N 2 1 368.478 0.079 20 0 FCADMP COCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318863 1202886981 /nfs/dbraw/zinc/88/69/81/1202886981.db2.gz UXYXTVJPRXXOKS-XHSDSOJGSA-N 2 1 368.478 0.079 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccn1 ZINC001086665042 1202887318 /nfs/dbraw/zinc/88/73/18/1202887318.db2.gz OGGCLKVUMIGXSI-UAGQMJEPSA-N 2 1 362.474 0.795 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccn1 ZINC001086665042 1202887319 /nfs/dbraw/zinc/88/73/19/1202887319.db2.gz OGGCLKVUMIGXSI-UAGQMJEPSA-N 2 1 362.474 0.795 20 0 FCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001131461935 1202899667 /nfs/dbraw/zinc/89/96/67/1202899667.db2.gz XRMDFIVQYNMQDP-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461935 1202899669 /nfs/dbraw/zinc/89/96/69/1202899669.db2.gz XRMDFIVQYNMQDP-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131464476 1202899976 /nfs/dbraw/zinc/89/99/76/1202899976.db2.gz SKPXDHVSYKMOKV-NUJGCVRESA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131522436 1202910938 /nfs/dbraw/zinc/91/09/38/1202910938.db2.gz HMMHDENGFJNKIP-WBVHZDCISA-N 2 1 368.522 0.448 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604826 1202918737 /nfs/dbraw/zinc/91/87/37/1202918737.db2.gz IYOHEHPOOJDDOY-NUJGCVRESA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131609020 1202920646 /nfs/dbraw/zinc/92/06/46/1202920646.db2.gz VTVFNPIUJVPQBJ-APWZRJJASA-N 2 1 368.522 0.401 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086700136 1202974572 /nfs/dbraw/zinc/97/45/72/1202974572.db2.gz ZJUVPYZDXNRURL-LXTVHRRPSA-N 2 1 365.478 0.931 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086700136 1202974576 /nfs/dbraw/zinc/97/45/76/1202974576.db2.gz ZJUVPYZDXNRURL-LXTVHRRPSA-N 2 1 365.478 0.931 20 0 FCADMP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1)N1CCC1 ZINC001086717391 1203012705 /nfs/dbraw/zinc/01/27/05/1203012705.db2.gz VVHLHWMXEIEHNK-ARFHVFGLSA-N 2 1 359.474 0.867 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731747 1203056400 /nfs/dbraw/zinc/05/64/00/1203056400.db2.gz APKMGYYYMVXOBE-QKPAOTATSA-N 2 1 364.494 0.392 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731747 1203056403 /nfs/dbraw/zinc/05/64/03/1203056403.db2.gz APKMGYYYMVXOBE-QKPAOTATSA-N 2 1 364.494 0.392 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)no1 ZINC001086739241 1203065448 /nfs/dbraw/zinc/06/54/48/1203065448.db2.gz PEGKXWSMXCBINL-GZBFAFLISA-N 2 1 363.462 0.503 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC001086785403 1203091127 /nfs/dbraw/zinc/09/11/27/1203091127.db2.gz XVZJVHZLHZJYEQ-LZLYRXPVSA-N 2 1 363.506 0.904 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001086784972 1203092643 /nfs/dbraw/zinc/09/26/43/1203092643.db2.gz DFAPCXGVOJVWIT-LZLYRXPVSA-N 2 1 363.506 0.904 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnnn3C)C1)CC2 ZINC001086787527 1203093676 /nfs/dbraw/zinc/09/36/76/1203093676.db2.gz VUEPXNHUQYFJTN-ARFHVFGLSA-N 2 1 371.489 0.957 20 0 FCADMP C[C@H](CCCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170869778 1203106226 /nfs/dbraw/zinc/10/62/26/1203106226.db2.gz APYNNCHLEHFCTI-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000817959995 1203128195 /nfs/dbraw/zinc/12/81/95/1203128195.db2.gz JVVWESALWNLIRB-DNVCBOLYSA-N 2 1 359.474 0.964 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000817990141 1203131507 /nfs/dbraw/zinc/13/15/07/1203131507.db2.gz XRLYDXMJASIWGT-OFLPRAFFSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000817990141 1203131509 /nfs/dbraw/zinc/13/15/09/1203131509.db2.gz XRLYDXMJASIWGT-OFLPRAFFSA-N 2 1 368.522 0.674 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000817993514 1203132073 /nfs/dbraw/zinc/13/20/73/1203132073.db2.gz KYTRCHIIGHPVMG-SQNIBIBYSA-N 2 1 356.470 0.540 20 0 FCADMP C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001090842349 1203312312 /nfs/dbraw/zinc/31/23/12/1203312312.db2.gz NKMZZHWCVVHDEX-IUODEOHRSA-N 2 1 357.462 0.789 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220237792 1224812336 /nfs/dbraw/zinc/81/23/36/1224812336.db2.gz FQUXWUZZWORKKQ-MSOLQXFVSA-N 2 1 361.486 0.667 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220237493 1224812533 /nfs/dbraw/zinc/81/25/33/1224812533.db2.gz YUXAFZCBKABYAF-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220277033 1224819461 /nfs/dbraw/zinc/81/94/61/1224819461.db2.gz PNHVHFPWJWGIQZ-SJORKVTESA-N 2 1 362.474 0.001 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220277033 1224819463 /nfs/dbraw/zinc/81/94/63/1224819463.db2.gz PNHVHFPWJWGIQZ-SJORKVTESA-N 2 1 362.474 0.001 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001220290054 1224821527 /nfs/dbraw/zinc/82/15/27/1224821527.db2.gz LTFULRJQNIVGCT-IXDOHACOSA-N 2 1 366.510 0.196 20 0 FCADMP C[C@@H]1CCN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001144135016 1204423856 /nfs/dbraw/zinc/42/38/56/1204423856.db2.gz CKGZNODNLVRESZ-YPMHNXCESA-N 2 1 358.450 0.456 20 0 FCADMP COc1cccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091096017 1204513561 /nfs/dbraw/zinc/51/35/61/1204513561.db2.gz JNWQMFXNLBCYOA-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cccc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091096017 1204513566 /nfs/dbraw/zinc/51/35/66/1204513566.db2.gz JNWQMFXNLBCYOA-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cn1 ZINC000846331989 1204615985 /nfs/dbraw/zinc/61/59/85/1204615985.db2.gz VQXMMKUTXARRQH-UHFFFAOYSA-N 2 1 370.457 0.698 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355563 1224841216 /nfs/dbraw/zinc/84/12/16/1224841216.db2.gz UWAVJPJCJWCLJU-NXHRZFHOSA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355563 1224841217 /nfs/dbraw/zinc/84/12/17/1224841217.db2.gz UWAVJPJCJWCLJU-NXHRZFHOSA-N 2 1 364.490 0.732 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358668 1224841928 /nfs/dbraw/zinc/84/19/28/1224841928.db2.gz WBRSVJMGMSSQKY-VVLHAWIVSA-N 2 1 360.458 0.251 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543183 1204708005 /nfs/dbraw/zinc/70/80/05/1204708005.db2.gz FBYNEOZZPHFKJO-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543183 1204708006 /nfs/dbraw/zinc/70/80/06/1204708006.db2.gz FBYNEOZZPHFKJO-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091543183 1204708007 /nfs/dbraw/zinc/70/80/07/1204708007.db2.gz FBYNEOZZPHFKJO-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543181 1204708317 /nfs/dbraw/zinc/70/83/17/1204708317.db2.gz DYQPSZRFTUMXBQ-GJYPPUQNSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543181 1204708330 /nfs/dbraw/zinc/70/83/30/1204708330.db2.gz DYQPSZRFTUMXBQ-GJYPPUQNSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543181 1204708336 /nfs/dbraw/zinc/70/83/36/1204708336.db2.gz DYQPSZRFTUMXBQ-GJYPPUQNSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091738283 1204837634 /nfs/dbraw/zinc/83/76/34/1204837634.db2.gz SXSHTXGHRMWIOV-GJYPPUQNSA-N 2 1 369.473 0.833 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091738283 1204837635 /nfs/dbraw/zinc/83/76/35/1204837635.db2.gz SXSHTXGHRMWIOV-GJYPPUQNSA-N 2 1 369.473 0.833 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741099 1204838112 /nfs/dbraw/zinc/83/81/12/1204838112.db2.gz ZXJKFKUILDLSNE-SXGZJXTBSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741099 1204838113 /nfs/dbraw/zinc/83/81/13/1204838113.db2.gz ZXJKFKUILDLSNE-SXGZJXTBSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091741099 1204838114 /nfs/dbraw/zinc/83/81/14/1204838114.db2.gz ZXJKFKUILDLSNE-SXGZJXTBSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844356 /nfs/dbraw/zinc/84/43/56/1204844356.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 1 371.485 0.916 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844357 /nfs/dbraw/zinc/84/43/57/1204844357.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 1 371.485 0.916 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844358 /nfs/dbraw/zinc/84/43/58/1204844358.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 1 371.485 0.916 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086880310 1204856198 /nfs/dbraw/zinc/85/61/98/1204856198.db2.gz SMYVMAPYGCNNIV-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086880310 1204856199 /nfs/dbraw/zinc/85/61/99/1204856199.db2.gz SMYVMAPYGCNNIV-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001086875601 1204859050 /nfs/dbraw/zinc/85/90/50/1204859050.db2.gz YLOHIQMKVKUNLT-SOUVJXGZSA-N 2 1 363.458 0.975 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993780 1204885219 /nfs/dbraw/zinc/88/52/19/1204885219.db2.gz RCQKTXVVWIZZAJ-RCCFBDPRSA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993780 1204885221 /nfs/dbraw/zinc/88/52/21/1204885221.db2.gz RCQKTXVVWIZZAJ-RCCFBDPRSA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086999380 1204888919 /nfs/dbraw/zinc/88/89/19/1204888919.db2.gz DAQUJMLJKIJVHB-JKSUJKDBSA-N 2 1 360.462 0.317 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087002309 1204890345 /nfs/dbraw/zinc/89/03/45/1204890345.db2.gz RVJPZZXPGIQNJN-ZWKOTPCHSA-N 2 1 363.506 0.682 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001087009834 1204897573 /nfs/dbraw/zinc/89/75/73/1204897573.db2.gz AENQYVCOBDKISJ-RCCFBDPRSA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001087009834 1204897574 /nfs/dbraw/zinc/89/75/74/1204897574.db2.gz AENQYVCOBDKISJ-RCCFBDPRSA-N 2 1 361.490 0.435 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001087038779 1204917465 /nfs/dbraw/zinc/91/74/65/1204917465.db2.gz ZASBRSCVXXSMKP-QRVBRYPASA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001087038779 1204917475 /nfs/dbraw/zinc/91/74/75/1204917475.db2.gz ZASBRSCVXXSMKP-QRVBRYPASA-N 2 1 361.486 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087055328 1204935796 /nfs/dbraw/zinc/93/57/96/1204935796.db2.gz HBOYCQKTUZCRAN-MUIFIZLQSA-N 2 1 364.494 0.108 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087055231 1204935994 /nfs/dbraw/zinc/93/59/94/1204935994.db2.gz AQXCGAHLWKFPIP-VDHUWJSZSA-N 2 1 363.506 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001087059355 1204943274 /nfs/dbraw/zinc/94/32/74/1204943274.db2.gz AMOQUGZQWRNMED-FGTMMUONSA-N 2 1 363.506 0.676 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087059520 1204944630 /nfs/dbraw/zinc/94/46/30/1204944630.db2.gz JZKWXGCOBARTGA-CRAIPNDOSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059739 1204944710 /nfs/dbraw/zinc/94/47/10/1204944710.db2.gz SORLDKAXLXPGDD-CRAIPNDOSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087077457 1204965719 /nfs/dbraw/zinc/96/57/19/1204965719.db2.gz YBEDUVLUEXEJIT-LJIGWXMPSA-N 2 1 365.478 0.753 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087100910 1204996794 /nfs/dbraw/zinc/99/67/94/1204996794.db2.gz KQAQISGVEIJQOD-KZNAEPCWSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087100432 1204998827 /nfs/dbraw/zinc/99/88/27/1204998827.db2.gz SGJBRQTYORRPTO-BRWVUGGUSA-N 2 1 361.490 0.690 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786292 1205012262 /nfs/dbraw/zinc/01/22/62/1205012262.db2.gz ABDOSMFPQGEAJM-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786292 1205012265 /nfs/dbraw/zinc/01/22/65/1205012265.db2.gz ABDOSMFPQGEAJM-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001091786292 1205012270 /nfs/dbraw/zinc/01/22/70/1205012270.db2.gz ABDOSMFPQGEAJM-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091777213 1205024698 /nfs/dbraw/zinc/02/46/98/1205024698.db2.gz SCERAAGXGZXUDR-MDZRGWNJSA-N 2 1 360.502 0.531 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782836 1205027086 /nfs/dbraw/zinc/02/70/86/1205027086.db2.gz IUCWZHKNXWBNQP-ODZKNYGOSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782836 1205027088 /nfs/dbraw/zinc/02/70/88/1205027088.db2.gz IUCWZHKNXWBNQP-ODZKNYGOSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782836 1205027092 /nfs/dbraw/zinc/02/70/92/1205027092.db2.gz IUCWZHKNXWBNQP-ODZKNYGOSA-N 2 1 373.501 0.784 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782836 1205027096 /nfs/dbraw/zinc/02/70/96/1205027096.db2.gz IUCWZHKNXWBNQP-ODZKNYGOSA-N 2 1 373.501 0.784 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091845286 1205035432 /nfs/dbraw/zinc/03/54/32/1205035432.db2.gz RSBYMZCPMCIWQX-KSMMKXTCSA-N 2 1 368.441 0.535 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818405 1205041391 /nfs/dbraw/zinc/04/13/91/1205041391.db2.gz FSORONMGPKSUPJ-FCEWJHQRSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823403 1205043424 /nfs/dbraw/zinc/04/34/24/1205043424.db2.gz ATJBCFNYUUPCPX-OGWOLHLISA-N 2 1 355.442 0.992 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)nn1 ZINC001091910087 1205069565 /nfs/dbraw/zinc/06/95/65/1205069565.db2.gz HQCWBALIXHMYKB-BEFAXECRSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)nn1 ZINC001091910087 1205069566 /nfs/dbraw/zinc/06/95/66/1205069566.db2.gz HQCWBALIXHMYKB-BEFAXECRSA-N 2 1 360.506 0.970 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975004 1205105598 /nfs/dbraw/zinc/10/55/98/1205105598.db2.gz BJZOABONXAJVHK-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060659 1205130511 /nfs/dbraw/zinc/13/05/11/1205130511.db2.gz BRHNZMXFBBOEHO-KHYOSLBOSA-N 2 1 361.490 0.921 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060659 1205130517 /nfs/dbraw/zinc/13/05/17/1205130517.db2.gz BRHNZMXFBBOEHO-KHYOSLBOSA-N 2 1 361.490 0.921 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001092071571 1205135199 /nfs/dbraw/zinc/13/51/99/1205135199.db2.gz BHUCXBAWUICJDO-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198890 1205191663 /nfs/dbraw/zinc/19/16/63/1205191663.db2.gz ACVDRPQMVHCJJZ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198890 1205191666 /nfs/dbraw/zinc/19/16/66/1205191666.db2.gz ACVDRPQMVHCJJZ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198890 1205191670 /nfs/dbraw/zinc/19/16/70/1205191670.db2.gz ACVDRPQMVHCJJZ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198890 1205191675 /nfs/dbraw/zinc/19/16/75/1205191675.db2.gz ACVDRPQMVHCJJZ-FCEWJHQRSA-N 2 1 360.506 0.920 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)cc1=O ZINC001092203868 1205197983 /nfs/dbraw/zinc/19/79/83/1205197983.db2.gz ZXYAQCIXFBJRAK-XLIONFOSSA-N 2 1 370.497 0.761 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092278816 1205225863 /nfs/dbraw/zinc/22/58/63/1205225863.db2.gz ZKEASQMDKXHCED-MUKKUYKPSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092278816 1205225864 /nfs/dbraw/zinc/22/58/64/1205225864.db2.gz ZKEASQMDKXHCED-MUKKUYKPSA-N 2 1 359.474 0.639 20 0 FCADMP COc1ccnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)c1 ZINC001092522210 1205302250 /nfs/dbraw/zinc/30/22/50/1205302250.db2.gz MIRMJZPFYLOTHR-IIDMSEBBSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)c1 ZINC001092522210 1205302254 /nfs/dbraw/zinc/30/22/54/1205302254.db2.gz MIRMJZPFYLOTHR-IIDMSEBBSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)c1 ZINC001092522210 1205302258 /nfs/dbraw/zinc/30/22/58/1205302258.db2.gz MIRMJZPFYLOTHR-IIDMSEBBSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)c1 ZINC001092522210 1205302261 /nfs/dbraw/zinc/30/22/61/1205302261.db2.gz MIRMJZPFYLOTHR-IIDMSEBBSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615929 1205329172 /nfs/dbraw/zinc/32/91/72/1205329172.db2.gz SCINLBWZODGDET-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615929 1205329175 /nfs/dbraw/zinc/32/91/75/1205329175.db2.gz SCINLBWZODGDET-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP CN[C@@H](CCCC[NH3+])C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460800 1224881176 /nfs/dbraw/zinc/88/11/76/1224881176.db2.gz ZFGDCXUCUIXYEI-INIZCTEOSA-N 2 1 362.478 0.467 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676648 1205336896 /nfs/dbraw/zinc/33/68/96/1205336896.db2.gz HDGVHFYFLBCVRI-OAGGEKHMSA-N 2 1 359.474 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676648 1205336899 /nfs/dbraw/zinc/33/68/99/1205336899.db2.gz HDGVHFYFLBCVRI-OAGGEKHMSA-N 2 1 359.474 0.677 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724715 1205347603 /nfs/dbraw/zinc/34/76/03/1205347603.db2.gz UCKVCPVKFIFXNK-KCYZZUKISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724715 1205347605 /nfs/dbraw/zinc/34/76/05/1205347605.db2.gz UCKVCPVKFIFXNK-KCYZZUKISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724715 1205347606 /nfs/dbraw/zinc/34/76/06/1205347606.db2.gz UCKVCPVKFIFXNK-KCYZZUKISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724715 1205347608 /nfs/dbraw/zinc/34/76/08/1205347608.db2.gz UCKVCPVKFIFXNK-KCYZZUKISA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753551 1205351563 /nfs/dbraw/zinc/35/15/63/1205351563.db2.gz POUFPBLZEGFUKY-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753551 1205351565 /nfs/dbraw/zinc/35/15/65/1205351565.db2.gz POUFPBLZEGFUKY-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220482240 1224887859 /nfs/dbraw/zinc/88/78/59/1224887859.db2.gz IZMWVACSPLMSHW-SJORKVTESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220482240 1224887863 /nfs/dbraw/zinc/88/78/63/1224887863.db2.gz IZMWVACSPLMSHW-SJORKVTESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911020 1205940429 /nfs/dbraw/zinc/94/04/29/1205940429.db2.gz NPXUZBLCVUGNBG-KURKYZTESA-N 2 1 363.506 0.676 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911020 1205940434 /nfs/dbraw/zinc/94/04/34/1205940434.db2.gz NPXUZBLCVUGNBG-KURKYZTESA-N 2 1 363.506 0.676 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2C)C1 ZINC001092911020 1205940438 /nfs/dbraw/zinc/94/04/38/1205940438.db2.gz NPXUZBLCVUGNBG-KURKYZTESA-N 2 1 363.506 0.676 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085382 1206014786 /nfs/dbraw/zinc/01/47/86/1206014786.db2.gz XEQUYIKVLIELAJ-MGPQQGTHSA-N 2 1 356.430 0.439 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085382 1206014791 /nfs/dbraw/zinc/01/47/91/1206014791.db2.gz XEQUYIKVLIELAJ-MGPQQGTHSA-N 2 1 356.430 0.439 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)cc1=O ZINC001093194857 1206053408 /nfs/dbraw/zinc/05/34/08/1206053408.db2.gz DPGTXUADHREIRD-QLFBSQMISA-N 2 1 363.458 0.784 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1=O ZINC001093194857 1206053414 /nfs/dbraw/zinc/05/34/14/1206053414.db2.gz DPGTXUADHREIRD-QLFBSQMISA-N 2 1 363.458 0.784 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)cc1=O ZINC001093194857 1206053418 /nfs/dbraw/zinc/05/34/18/1206053418.db2.gz DPGTXUADHREIRD-QLFBSQMISA-N 2 1 363.458 0.784 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465515 1206084546 /nfs/dbraw/zinc/08/45/46/1206084546.db2.gz KBRDIMVBKJQLEJ-QQTQMKHKSA-N 2 1 367.534 0.677 20 0 FCADMP CC(C)[C@H]1N(C(=O)CC[NH+]2CCOCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093468954 1206085352 /nfs/dbraw/zinc/08/53/52/1206085352.db2.gz CVTLECDIPPLZMZ-RWQQGDIJSA-N 2 1 371.497 0.644 20 0 FCADMP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001093673257 1206099866 /nfs/dbraw/zinc/09/98/66/1206099866.db2.gz NONSOSWNGQVVPE-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690308 1206101496 /nfs/dbraw/zinc/10/14/96/1206101496.db2.gz SKKRRJBSIQTXJC-BFYDXBDKSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690308 1206101498 /nfs/dbraw/zinc/10/14/98/1206101498.db2.gz SKKRRJBSIQTXJC-BFYDXBDKSA-N 2 1 362.474 0.605 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093768024 1206112451 /nfs/dbraw/zinc/11/24/51/1206112451.db2.gz JDBMZCPMPGSQDP-KFWWJZLASA-N 2 1 364.494 0.165 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149358 1206122878 /nfs/dbraw/zinc/12/28/78/1206122878.db2.gz DOUHEURYLLMSHH-KBXIAJHMSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149358 1206122881 /nfs/dbraw/zinc/12/28/81/1206122881.db2.gz DOUHEURYLLMSHH-KBXIAJHMSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093822419 1206123966 /nfs/dbraw/zinc/12/39/66/1206123966.db2.gz QGVZFCCIHZOPCR-FMKPAKJESA-N 2 1 357.462 0.773 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093883963 1206142810 /nfs/dbraw/zinc/14/28/10/1206142810.db2.gz GVGTWZPAPKSHLW-OAGGEKHMSA-N 2 1 363.510 0.515 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001093883963 1206142811 /nfs/dbraw/zinc/14/28/11/1206142811.db2.gz GVGTWZPAPKSHLW-OAGGEKHMSA-N 2 1 363.510 0.515 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001093921603 1206150255 /nfs/dbraw/zinc/15/02/55/1206150255.db2.gz XBTJGYVSCUGCLM-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001094041188 1206174305 /nfs/dbraw/zinc/17/43/05/1206174305.db2.gz ZJIRHOJHVYGFSF-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1ncccn1 ZINC001094110782 1206185533 /nfs/dbraw/zinc/18/55/33/1206185533.db2.gz OCIYLARWJZCPLG-IXDOHACOSA-N 2 1 361.490 0.944 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)nn1 ZINC001094110823 1206186000 /nfs/dbraw/zinc/18/60/00/1206186000.db2.gz QCSYYCGGQCDIFE-HZPDHXFCSA-N 2 1 364.494 0.204 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094114134 1206186244 /nfs/dbraw/zinc/18/62/44/1206186244.db2.gz ULZMUZLGDQJFCM-HZPDHXFCSA-N 2 1 364.494 0.204 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094113879 1206186476 /nfs/dbraw/zinc/18/64/76/1206186476.db2.gz IFNJESFDJNROOC-NVXWUHKLSA-N 2 1 363.506 0.635 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001094164946 1206197416 /nfs/dbraw/zinc/19/74/16/1206197416.db2.gz GWBKMCZBKFKOSS-QLFBSQMISA-N 2 1 365.478 0.742 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094219874 1206203100 /nfs/dbraw/zinc/20/31/00/1206203100.db2.gz VDSSPTCCPHKIGP-ZTFGCOKTSA-N 2 1 358.486 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)C1 ZINC001094232048 1206208119 /nfs/dbraw/zinc/20/81/19/1206208119.db2.gz KFTZPVNPJZBIIE-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)C1 ZINC001094232048 1206208121 /nfs/dbraw/zinc/20/81/21/1206208121.db2.gz KFTZPVNPJZBIIE-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385092 1206223038 /nfs/dbraw/zinc/22/30/38/1206223038.db2.gz ZLAGZYBEXDTLHG-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385092 1206223040 /nfs/dbraw/zinc/22/30/40/1206223040.db2.gz ZLAGZYBEXDTLHG-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@H+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385092 1206223045 /nfs/dbraw/zinc/22/30/45/1206223045.db2.gz ZLAGZYBEXDTLHG-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385092 1206223048 /nfs/dbraw/zinc/22/30/48/1206223048.db2.gz ZLAGZYBEXDTLHG-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417354 1206224148 /nfs/dbraw/zinc/22/41/48/1206224148.db2.gz WDJORIVDWIEDDE-SZVBFZGTSA-N 2 1 363.506 0.800 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001094433113 1206225305 /nfs/dbraw/zinc/22/53/05/1206225305.db2.gz RBXMTGFFAAWVKA-QWFCFKBJSA-N 2 1 365.518 0.983 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001094433113 1206225308 /nfs/dbraw/zinc/22/53/08/1206225308.db2.gz RBXMTGFFAAWVKA-QWFCFKBJSA-N 2 1 365.518 0.983 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001094433113 1206225311 /nfs/dbraw/zinc/22/53/11/1206225311.db2.gz RBXMTGFFAAWVKA-QWFCFKBJSA-N 2 1 365.518 0.983 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495359 1206232438 /nfs/dbraw/zinc/23/24/38/1206232438.db2.gz KFRBMJSDJYQVIM-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495359 1206232442 /nfs/dbraw/zinc/23/24/42/1206232442.db2.gz KFRBMJSDJYQVIM-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC001094495359 1206232446 /nfs/dbraw/zinc/23/24/46/1206232446.db2.gz KFRBMJSDJYQVIM-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)cn1 ZINC001094532517 1206237105 /nfs/dbraw/zinc/23/71/05/1206237105.db2.gz YRGCMSVMZUHBIQ-IEBWSBKVSA-N 2 1 363.506 0.802 20 0 FCADMP CCn1ncnc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500308 1206249587 /nfs/dbraw/zinc/24/95/87/1206249587.db2.gz KLICJONUXANNJJ-ARFHVFGLSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1ncnc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500308 1206249590 /nfs/dbraw/zinc/24/95/90/1206249590.db2.gz KLICJONUXANNJJ-ARFHVFGLSA-N 2 1 366.510 0.782 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)CC2)C1 ZINC001172239916 1206260299 /nfs/dbraw/zinc/26/02/99/1206260299.db2.gz QEYZWWMJVJBOPE-AYHJJNSGSA-N 2 1 363.502 0.975 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220582945 1224948072 /nfs/dbraw/zinc/94/80/72/1224948072.db2.gz LYNFLTCKSFGRQD-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nncn1C ZINC001178810919 1206365580 /nfs/dbraw/zinc/36/55/80/1206365580.db2.gz OXMUCFXLPFVRCY-OWCLPIDISA-N 2 1 366.510 0.861 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nncn1C ZINC001178810919 1206365583 /nfs/dbraw/zinc/36/55/83/1206365583.db2.gz OXMUCFXLPFVRCY-OWCLPIDISA-N 2 1 366.510 0.861 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001178948469 1206368402 /nfs/dbraw/zinc/36/84/02/1206368402.db2.gz LCJAFJGZJUNLQT-MOPGFXCFSA-N 2 1 373.501 0.131 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001178948469 1206368404 /nfs/dbraw/zinc/36/84/04/1206368404.db2.gz LCJAFJGZJUNLQT-MOPGFXCFSA-N 2 1 373.501 0.131 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001181508415 1206410281 /nfs/dbraw/zinc/41/02/81/1206410281.db2.gz XDTPHZIEEBMDLT-MXHNKVEKSA-N 2 1 364.534 0.927 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001182032259 1206419241 /nfs/dbraw/zinc/41/92/41/1206419241.db2.gz SYMYQYKZRCBLRF-QZTJIDSGSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001182684731 1206442348 /nfs/dbraw/zinc/44/23/48/1206442348.db2.gz VNTZDLIYVYGARE-BFYDXBDKSA-N 2 1 362.474 0.769 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CCc3ccc(N)nc3)CC[C@@H]2C1 ZINC001183933295 1206462056 /nfs/dbraw/zinc/46/20/56/1206462056.db2.gz KUSDQBHTACONMG-IAGOWNOFSA-N 2 1 362.474 0.792 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)O1 ZINC001185240060 1206476149 /nfs/dbraw/zinc/47/61/49/1206476149.db2.gz BLKYJGZWIAIBSU-DODZYUBVSA-N 2 1 365.474 0.320 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)O1 ZINC001185240060 1206476150 /nfs/dbraw/zinc/47/61/50/1206476150.db2.gz BLKYJGZWIAIBSU-DODZYUBVSA-N 2 1 365.474 0.320 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001185233748 1206476405 /nfs/dbraw/zinc/47/64/05/1206476405.db2.gz XGRKXKXVVQBHKU-MOPGFXCFSA-N 2 1 361.486 0.803 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001185233748 1206476407 /nfs/dbraw/zinc/47/64/07/1206476407.db2.gz XGRKXKXVVQBHKU-MOPGFXCFSA-N 2 1 361.486 0.803 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185250546 1206477155 /nfs/dbraw/zinc/47/71/55/1206477155.db2.gz GXEONGSEIITDTA-QYZOEREBSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185250546 1206477158 /nfs/dbraw/zinc/47/71/58/1206477158.db2.gz GXEONGSEIITDTA-QYZOEREBSA-N 2 1 373.501 0.129 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001185250546 1206477165 /nfs/dbraw/zinc/47/71/65/1206477165.db2.gz GXEONGSEIITDTA-QYZOEREBSA-N 2 1 373.501 0.129 20 0 FCADMP COCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185943681 1206488831 /nfs/dbraw/zinc/48/88/31/1206488831.db2.gz UFWUEFWQTGWMPY-HYVNUMGLSA-N 2 1 364.494 0.518 20 0 FCADMP COCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943681 1206488833 /nfs/dbraw/zinc/48/88/33/1206488833.db2.gz UFWUEFWQTGWMPY-HYVNUMGLSA-N 2 1 364.494 0.518 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944429 1207404057 /nfs/dbraw/zinc/40/40/57/1207404057.db2.gz GOSQBGXXGWAGJT-RCCFBDPRSA-N 2 1 362.518 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944429 1207404058 /nfs/dbraw/zinc/40/40/58/1207404058.db2.gz GOSQBGXXGWAGJT-RCCFBDPRSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212806 1207435145 /nfs/dbraw/zinc/43/51/45/1207435145.db2.gz PCEUTGZVMASSSZ-DOTOQJQBSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212806 1207435148 /nfs/dbraw/zinc/43/51/48/1207435148.db2.gz PCEUTGZVMASSSZ-DOTOQJQBSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212806 1207435150 /nfs/dbraw/zinc/43/51/50/1207435150.db2.gz PCEUTGZVMASSSZ-DOTOQJQBSA-N 2 1 365.522 0.711 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405930 1207454153 /nfs/dbraw/zinc/45/41/53/1207454153.db2.gz VNKGYIUPZSBGGA-HLLBOEOZSA-N 2 1 359.474 0.575 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568049 1207463871 /nfs/dbraw/zinc/46/38/71/1207463871.db2.gz BISJDQWPFWUFMG-HDMKZQKVSA-N 2 1 362.474 0.302 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568049 1207463874 /nfs/dbraw/zinc/46/38/74/1207463874.db2.gz BISJDQWPFWUFMG-HDMKZQKVSA-N 2 1 362.474 0.302 20 0 FCADMP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCN(C(=O)CC[NH+](C)C)[C@@H]4C3)ccc21 ZINC001189035413 1207497226 /nfs/dbraw/zinc/49/72/26/1207497226.db2.gz YCZXSVBFCMRHEL-MAUKXSAKSA-N 2 1 356.474 0.953 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001189061207 1207498885 /nfs/dbraw/zinc/49/88/85/1207498885.db2.gz BJGDLDIZVOKTEM-XYJFISCASA-N 2 1 369.506 0.027 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189668782 1207580307 /nfs/dbraw/zinc/58/03/07/1207580307.db2.gz OPKOIQYSUUECEH-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189668782 1207580311 /nfs/dbraw/zinc/58/03/11/1207580311.db2.gz OPKOIQYSUUECEH-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189668782 1207580313 /nfs/dbraw/zinc/58/03/13/1207580313.db2.gz OPKOIQYSUUECEH-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001189668782 1207580316 /nfs/dbraw/zinc/58/03/16/1207580316.db2.gz OPKOIQYSUUECEH-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801789 1207609823 /nfs/dbraw/zinc/60/98/23/1207609823.db2.gz MZEPGDXZWHJZHG-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801789 1207609827 /nfs/dbraw/zinc/60/98/27/1207609827.db2.gz MZEPGDXZWHJZHG-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001190247825 1207667746 /nfs/dbraw/zinc/66/77/46/1207667746.db2.gz SXIKMAMKMFUOQS-QLFBSQMISA-N 2 1 363.462 0.876 20 0 FCADMP CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247116 1207667977 /nfs/dbraw/zinc/66/79/77/1207667977.db2.gz LFKRDCILYLVSAW-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247116 1207667981 /nfs/dbraw/zinc/66/79/81/1207667981.db2.gz LFKRDCILYLVSAW-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247116 1207667989 /nfs/dbraw/zinc/66/79/89/1207667989.db2.gz LFKRDCILYLVSAW-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247116 1207667994 /nfs/dbraw/zinc/66/79/94/1207667994.db2.gz LFKRDCILYLVSAW-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247116 1207667998 /nfs/dbraw/zinc/66/79/98/1207667998.db2.gz LFKRDCILYLVSAW-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001190248251 1207668019 /nfs/dbraw/zinc/66/80/19/1207668019.db2.gz ZKMRYIDCCBBMNC-FGTMMUONSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCOCCNC(C)=O)C2)CC[NH+]1C ZINC001190248251 1207668023 /nfs/dbraw/zinc/66/80/23/1207668023.db2.gz ZKMRYIDCCBBMNC-FGTMMUONSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246368 1207668091 /nfs/dbraw/zinc/66/80/91/1207668091.db2.gz BGBZHGDEMBNVOD-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246368 1207668094 /nfs/dbraw/zinc/66/80/94/1207668094.db2.gz BGBZHGDEMBNVOD-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246368 1207668096 /nfs/dbraw/zinc/66/80/96/1207668096.db2.gz BGBZHGDEMBNVOD-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246368 1207668099 /nfs/dbraw/zinc/66/80/99/1207668099.db2.gz BGBZHGDEMBNVOD-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246368 1207668101 /nfs/dbraw/zinc/66/81/01/1207668101.db2.gz BGBZHGDEMBNVOD-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487309 1207688168 /nfs/dbraw/zinc/68/81/68/1207688168.db2.gz WAKXXFORTNIUGE-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487309 1207688173 /nfs/dbraw/zinc/68/81/73/1207688173.db2.gz WAKXXFORTNIUGE-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487309 1207688178 /nfs/dbraw/zinc/68/81/78/1207688178.db2.gz WAKXXFORTNIUGE-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190487309 1207688185 /nfs/dbraw/zinc/68/81/85/1207688185.db2.gz WAKXXFORTNIUGE-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791938 1207889464 /nfs/dbraw/zinc/88/94/64/1207889464.db2.gz UHXNFEQHWAGGMV-QRVBRYPASA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791938 1207889465 /nfs/dbraw/zinc/88/94/65/1207889465.db2.gz UHXNFEQHWAGGMV-QRVBRYPASA-N 2 1 361.486 0.875 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O)C1CCC1 ZINC001193804553 1207891632 /nfs/dbraw/zinc/89/16/32/1207891632.db2.gz AJZMTXYGFSPJGW-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O)C1CCC1 ZINC001193804553 1207891635 /nfs/dbraw/zinc/89/16/35/1207891635.db2.gz AJZMTXYGFSPJGW-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)C1CCC1 ZINC001193804553 1207891636 /nfs/dbraw/zinc/89/16/36/1207891636.db2.gz AJZMTXYGFSPJGW-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)C1CCC1 ZINC001193804553 1207891639 /nfs/dbraw/zinc/89/16/39/1207891639.db2.gz AJZMTXYGFSPJGW-QZTJIDSGSA-N 2 1 365.449 0.850 20 0 FCADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001194298852 1207930450 /nfs/dbraw/zinc/93/04/50/1207930450.db2.gz MVIAPUKEDPNWFN-IAGOWNOFSA-N 2 1 363.506 0.697 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001194298852 1207930457 /nfs/dbraw/zinc/93/04/57/1207930457.db2.gz MVIAPUKEDPNWFN-IAGOWNOFSA-N 2 1 363.506 0.697 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001194298852 1207930461 /nfs/dbraw/zinc/93/04/61/1207930461.db2.gz MVIAPUKEDPNWFN-IAGOWNOFSA-N 2 1 363.506 0.697 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001194298852 1207930467 /nfs/dbraw/zinc/93/04/67/1207930467.db2.gz MVIAPUKEDPNWFN-IAGOWNOFSA-N 2 1 363.506 0.697 20 0 FCADMP CC(C)(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831424 1207978200 /nfs/dbraw/zinc/97/82/00/1207978200.db2.gz CZBCCVNERCPXIO-ARLDDLHVSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831424 1207978202 /nfs/dbraw/zinc/97/82/02/1207978202.db2.gz CZBCCVNERCPXIO-ARLDDLHVSA-N 2 1 365.518 0.837 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1 ZINC001195677582 1208032809 /nfs/dbraw/zinc/03/28/09/1208032809.db2.gz UAUCCBRZRZCNHN-KURKYZTESA-N 2 1 361.486 0.877 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001195692299 1208035210 /nfs/dbraw/zinc/03/52/10/1208035210.db2.gz YVOQOCUQOLMMAV-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001195692299 1208035211 /nfs/dbraw/zinc/03/52/11/1208035211.db2.gz YVOQOCUQOLMMAV-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001195701265 1208036099 /nfs/dbraw/zinc/03/60/99/1208036099.db2.gz LJNPQVDJIJVRIA-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195701699 1208036302 /nfs/dbraw/zinc/03/63/02/1208036302.db2.gz QGFSSNLROVZCKD-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195701699 1208036303 /nfs/dbraw/zinc/03/63/03/1208036303.db2.gz QGFSSNLROVZCKD-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)CC1 ZINC001195829702 1208042649 /nfs/dbraw/zinc/04/26/49/1208042649.db2.gz UXKNHEDUCBWAIJ-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222317 1208067815 /nfs/dbraw/zinc/06/78/15/1208067815.db2.gz KUMJBRQOGXTRNL-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222317 1208067820 /nfs/dbraw/zinc/06/78/20/1208067820.db2.gz KUMJBRQOGXTRNL-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222317 1208067823 /nfs/dbraw/zinc/06/78/23/1208067823.db2.gz KUMJBRQOGXTRNL-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O)CC(C)(C)C ZINC001196222317 1208067827 /nfs/dbraw/zinc/06/78/27/1208067827.db2.gz KUMJBRQOGXTRNL-BRWVUGGUSA-N 2 1 371.522 0.321 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001196251335 1208069025 /nfs/dbraw/zinc/06/90/25/1208069025.db2.gz IXKBJONAESPVKY-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196298871 1208072985 /nfs/dbraw/zinc/07/29/85/1208072985.db2.gz DFNQPHDUMWCUSQ-BHIYHBOVSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001196638510 1208098822 /nfs/dbraw/zinc/09/88/22/1208098822.db2.gz UNTAEMVPZPRDSY-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001196638510 1208098826 /nfs/dbraw/zinc/09/88/26/1208098826.db2.gz UNTAEMVPZPRDSY-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001196667143 1208100390 /nfs/dbraw/zinc/10/03/90/1208100390.db2.gz LQJWKLDAOINSJP-GVDBMIGSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001196667143 1208100393 /nfs/dbraw/zinc/10/03/93/1208100393.db2.gz LQJWKLDAOINSJP-GVDBMIGSSA-N 2 1 364.490 0.985 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001196920489 1208118006 /nfs/dbraw/zinc/11/80/06/1208118006.db2.gz ZQENLCKQVJLIEZ-GVDBMIGSSA-N 2 1 364.490 0.948 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001196920489 1208118011 /nfs/dbraw/zinc/11/80/11/1208118011.db2.gz ZQENLCKQVJLIEZ-GVDBMIGSSA-N 2 1 364.490 0.948 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001196940955 1208123750 /nfs/dbraw/zinc/12/37/50/1208123750.db2.gz XLAIMKSCZMBIJA-QZTJIDSGSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001196940955 1208123754 /nfs/dbraw/zinc/12/37/54/1208123754.db2.gz XLAIMKSCZMBIJA-QZTJIDSGSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197049750 1208131693 /nfs/dbraw/zinc/13/16/93/1208131693.db2.gz RMHUOQDWCJAMEZ-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001197049750 1208131696 /nfs/dbraw/zinc/13/16/96/1208131696.db2.gz RMHUOQDWCJAMEZ-QZTJIDSGSA-N 2 1 362.474 0.648 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001197058057 1208132620 /nfs/dbraw/zinc/13/26/20/1208132620.db2.gz LYNFLTCKSFGRQD-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CC1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197140027 1208137872 /nfs/dbraw/zinc/13/78/72/1208137872.db2.gz QWHKOCJBTYCUOT-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197140027 1208137875 /nfs/dbraw/zinc/13/78/75/1208137875.db2.gz QWHKOCJBTYCUOT-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197253707 1208149027 /nfs/dbraw/zinc/14/90/27/1208149027.db2.gz MQPIMEPZDXRZLR-QZTJIDSGSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197253707 1208149030 /nfs/dbraw/zinc/14/90/30/1208149030.db2.gz MQPIMEPZDXRZLR-QZTJIDSGSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319443 1208152361 /nfs/dbraw/zinc/15/23/61/1208152361.db2.gz HNVHCUCPDMKOSA-QZTJIDSGSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319443 1208152363 /nfs/dbraw/zinc/15/23/63/1208152363.db2.gz HNVHCUCPDMKOSA-QZTJIDSGSA-N 2 1 362.474 0.162 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294501 1208154285 /nfs/dbraw/zinc/15/42/85/1208154285.db2.gz AAMLFWJCXXBDAA-OIISXLGYSA-N 2 1 369.473 0.768 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197628685 1208179963 /nfs/dbraw/zinc/17/99/63/1208179963.db2.gz STWMWBOOUDQTSX-QGZVFWFLSA-N 3 1 361.490 0.931 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197825673 1208202045 /nfs/dbraw/zinc/20/20/45/1208202045.db2.gz FMMDBBIWTXOALO-QZTJIDSGSA-N 2 1 365.474 0.113 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197825673 1208202049 /nfs/dbraw/zinc/20/20/49/1208202049.db2.gz FMMDBBIWTXOALO-QZTJIDSGSA-N 2 1 365.474 0.113 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001197955925 1208208888 /nfs/dbraw/zinc/20/88/88/1208208888.db2.gz QZDMGOFMERERCW-IAGOWNOFSA-N 2 1 366.510 0.342 20 0 FCADMP C[NH+]1CCN(c2cnccc2C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)CC1 ZINC001198152422 1208224716 /nfs/dbraw/zinc/22/47/16/1208224716.db2.gz CEZRRUPEZLPSTM-LBPRGKRZSA-N 2 1 372.498 0.680 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccncc1N1CC[NH+](C)CC1 ZINC001198158152 1208225185 /nfs/dbraw/zinc/22/51/85/1208225185.db2.gz VOMJAHGMPDDZRS-UHFFFAOYSA-N 3 1 361.494 0.511 20 0 FCADMP CN(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1 ZINC001199119275 1208322608 /nfs/dbraw/zinc/32/26/08/1208322608.db2.gz ADDRKDNCEZIKGY-QRVBRYPASA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1 ZINC001199119275 1208322609 /nfs/dbraw/zinc/32/26/09/1208322609.db2.gz ADDRKDNCEZIKGY-QRVBRYPASA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccc1 ZINC001199119275 1208322610 /nfs/dbraw/zinc/32/26/10/1208322610.db2.gz ADDRKDNCEZIKGY-QRVBRYPASA-N 2 1 361.486 0.877 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370105 1208343971 /nfs/dbraw/zinc/34/39/71/1208343971.db2.gz KTJZEIFJGZSVPV-QZTJIDSGSA-N 2 1 363.506 0.390 20 0 FCADMP CN(CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O)Cc1ccccc1 ZINC001199384019 1208344539 /nfs/dbraw/zinc/34/45/39/1208344539.db2.gz CMVLYMPDRVXCHO-RTBURBONSA-N 2 1 361.486 0.706 20 0 FCADMP CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220764355 1225060716 /nfs/dbraw/zinc/06/07/16/1225060716.db2.gz IQCJHXPKGSSWFO-MOPGFXCFSA-N 2 1 363.502 0.531 20 0 FCADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764340 1225061605 /nfs/dbraw/zinc/06/16/05/1225061605.db2.gz HYJAEXFCJKWTIC-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764340 1225061614 /nfs/dbraw/zinc/06/16/14/1225061614.db2.gz HYJAEXFCJKWTIC-SJORKVTESA-N 2 1 365.474 0.243 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCO[C@@H]2CCOC2)[C@@H]1C ZINC001691702419 1208419460 /nfs/dbraw/zinc/41/94/60/1208419460.db2.gz PENVDUCCJHJLSE-ZACQAIPSSA-N 2 1 350.463 0.966 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCO[C@@H]2CCOC2)[C@@H]1C ZINC001691702419 1208419462 /nfs/dbraw/zinc/41/94/62/1208419462.db2.gz PENVDUCCJHJLSE-ZACQAIPSSA-N 2 1 350.463 0.966 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771489 1225064142 /nfs/dbraw/zinc/06/41/42/1225064142.db2.gz VZAJPWXHVRUIGO-MSOLQXFVSA-N 2 1 365.518 0.840 20 0 FCADMP CCCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230480 1208449396 /nfs/dbraw/zinc/44/93/96/1208449396.db2.gz SLVLSLBOLZOJQF-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP CCCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230480 1208449397 /nfs/dbraw/zinc/44/93/97/1208449397.db2.gz SLVLSLBOLZOJQF-BFYDXBDKSA-N 2 1 368.522 0.591 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)cnc3c1)C2 ZINC001110562294 1208451884 /nfs/dbraw/zinc/45/18/84/1208451884.db2.gz LRLMXSORVGGBLC-VQHPVUNQSA-N 2 1 358.442 0.985 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569258 1208462996 /nfs/dbraw/zinc/46/29/96/1208462996.db2.gz HUCZMCHGLHZLAG-MKXGPGLRSA-N 2 1 374.529 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569258 1208463003 /nfs/dbraw/zinc/46/30/03/1208463003.db2.gz HUCZMCHGLHZLAG-MKXGPGLRSA-N 2 1 374.529 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001488981980 1208598283 /nfs/dbraw/zinc/59/82/83/1208598283.db2.gz BRVUQJUNVKNBOX-HYVNUMGLSA-N 2 1 351.495 0.681 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220802513 1225080998 /nfs/dbraw/zinc/08/09/98/1225080998.db2.gz YQZTYXKQOIJWMD-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220802513 1225081003 /nfs/dbraw/zinc/08/10/03/1225081003.db2.gz YQZTYXKQOIJWMD-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001489348851 1208778488 /nfs/dbraw/zinc/77/84/88/1208778488.db2.gz ORXFBDVVSKWLTH-IXDOHACOSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220821908 1225088401 /nfs/dbraw/zinc/08/84/01/1225088401.db2.gz KFWVMJUOZUPPJS-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220821908 1225088406 /nfs/dbraw/zinc/08/84/06/1225088406.db2.gz KFWVMJUOZUPPJS-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220821908 1225088414 /nfs/dbraw/zinc/08/84/14/1225088414.db2.gz KFWVMJUOZUPPJS-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220821908 1225088417 /nfs/dbraw/zinc/08/84/17/1225088417.db2.gz KFWVMJUOZUPPJS-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1O ZINC001489381536 1208803505 /nfs/dbraw/zinc/80/35/05/1208803505.db2.gz HVSUDUJVPWLVBT-IAGOWNOFSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001489592282 1209013957 /nfs/dbraw/zinc/01/39/57/1209013957.db2.gz PBOMWJNSOHEJEJ-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001489592282 1209013962 /nfs/dbraw/zinc/01/39/62/1209013962.db2.gz PBOMWJNSOHEJEJ-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001489592282 1209013966 /nfs/dbraw/zinc/01/39/66/1209013966.db2.gz PBOMWJNSOHEJEJ-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667946 1209591930 /nfs/dbraw/zinc/59/19/30/1209591930.db2.gz PYYCGKRLPRWMDL-WCXIOVBPSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667946 1209591933 /nfs/dbraw/zinc/59/19/33/1209591933.db2.gz PYYCGKRLPRWMDL-WCXIOVBPSA-N 2 1 365.522 0.756 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cn2cccn2)CCC1 ZINC001110664937 1209592255 /nfs/dbraw/zinc/59/22/55/1209592255.db2.gz FODKPYUSGMADSJ-TWMKSMIVSA-N 2 1 361.490 0.450 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001110673546 1209607717 /nfs/dbraw/zinc/60/77/17/1209607717.db2.gz FVMDQRXKSCAXDE-TWMKSMIVSA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001110673546 1209607724 /nfs/dbraw/zinc/60/77/24/1209607724.db2.gz FVMDQRXKSCAXDE-TWMKSMIVSA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001110673546 1209607727 /nfs/dbraw/zinc/60/77/27/1209607727.db2.gz FVMDQRXKSCAXDE-TWMKSMIVSA-N 2 1 358.490 0.971 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)n2cc(C[NH3+])cnc2=N)cc1 ZINC001220951210 1225155408 /nfs/dbraw/zinc/15/54/08/1225155408.db2.gz TXWQVBOWMCKUFR-OAHLLOKOSA-N 2 1 371.441 0.721 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001110738926 1209768830 /nfs/dbraw/zinc/76/88/30/1209768830.db2.gz ZWZKTDMZWULQSO-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001110738926 1209768838 /nfs/dbraw/zinc/76/88/38/1209768838.db2.gz ZWZKTDMZWULQSO-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001110738926 1209768847 /nfs/dbraw/zinc/76/88/47/1209768847.db2.gz ZWZKTDMZWULQSO-ZACQAIPSSA-N 2 1 368.522 0.591 20 0 FCADMP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000858192579 1209779877 /nfs/dbraw/zinc/77/98/77/1209779877.db2.gz NLDUPHWKYYQKCU-IAGOWNOFSA-N 2 1 366.506 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220985868 1225174455 /nfs/dbraw/zinc/17/44/55/1225174455.db2.gz IBIIHHCQQIPADP-JQHSSLGASA-N 2 1 365.518 0.696 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000863754468 1209950226 /nfs/dbraw/zinc/95/02/26/1209950226.db2.gz SMRQRNHZZLBHEA-QGZVFWFLSA-N 2 1 360.502 0.959 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000864884343 1209967004 /nfs/dbraw/zinc/96/70/04/1209967004.db2.gz JASHNKNZOWUTOB-OVYGPGRDSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000864884343 1209967007 /nfs/dbraw/zinc/96/70/07/1209967007.db2.gz JASHNKNZOWUTOB-OVYGPGRDSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](F)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000864884343 1209967009 /nfs/dbraw/zinc/96/70/09/1209967009.db2.gz JASHNKNZOWUTOB-OVYGPGRDSA-N 2 1 366.481 0.811 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221005101 1225181901 /nfs/dbraw/zinc/18/19/01/1225181901.db2.gz WQJUMBCSLAVIJY-WDSOQIARSA-N 2 1 374.533 0.431 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215006 1210044584 /nfs/dbraw/zinc/04/45/84/1210044584.db2.gz AFENMDJMTUBRTB-ROUUACIJSA-N 2 1 365.522 0.271 20 0 FCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@H]21 ZINC000868695440 1210071706 /nfs/dbraw/zinc/07/17/06/1210071706.db2.gz QHLGXSLEDHGCHX-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC[C@H]21 ZINC000868695440 1210071709 /nfs/dbraw/zinc/07/17/09/1210071709.db2.gz QHLGXSLEDHGCHX-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221010182 1225185107 /nfs/dbraw/zinc/18/51/07/1225185107.db2.gz AXTRPZMCCCCBCQ-QZTJIDSGSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)c1 ZINC001221062359 1225203729 /nfs/dbraw/zinc/20/37/29/1225203729.db2.gz PCJLBBJMWKTDAO-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)c1 ZINC001221062359 1225203735 /nfs/dbraw/zinc/20/37/35/1225203735.db2.gz PCJLBBJMWKTDAO-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875235955 1210355152 /nfs/dbraw/zinc/35/51/52/1210355152.db2.gz AFJUWSWBLICHLH-SJORKVTESA-N 2 1 366.506 0.603 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC000878702635 1210463688 /nfs/dbraw/zinc/46/36/88/1210463688.db2.gz JNFUCQMMIHNURO-QAPCUYQASA-N 2 1 362.474 0.052 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC000878702635 1210463692 /nfs/dbraw/zinc/46/36/92/1210463692.db2.gz JNFUCQMMIHNURO-QAPCUYQASA-N 2 1 362.474 0.052 20 0 FCADMP CONC(=O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000879924348 1210504682 /nfs/dbraw/zinc/50/46/82/1210504682.db2.gz PXRNRLRJHQXKCL-QGZVFWFLSA-N 2 1 362.474 0.795 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](C/C=C\C[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311986 1210528380 /nfs/dbraw/zinc/52/83/80/1210528380.db2.gz QTUAFAPQPBNLLD-XLEOCTNXSA-N 2 1 360.502 0.363 20 0 FCADMP C[C@@H](CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[N@@H+](C)C1CC1 ZINC000883332315 1210662124 /nfs/dbraw/zinc/66/21/24/1210662124.db2.gz RZSXZOJHMMNXRX-HNNXBMFYSA-N 2 1 365.522 0.985 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000883655604 1210681335 /nfs/dbraw/zinc/68/13/35/1210681335.db2.gz HHAKDDNDQFHSAO-GOSISDBHSA-N 2 1 374.485 0.722 20 0 FCADMP C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001006342848 1210696342 /nfs/dbraw/zinc/69/63/42/1210696342.db2.gz PQSSAGUIMHRAKK-JKIFEVAISA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006342848 1210696347 /nfs/dbraw/zinc/69/63/47/1210696347.db2.gz PQSSAGUIMHRAKK-JKIFEVAISA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006342848 1210696354 /nfs/dbraw/zinc/69/63/54/1210696354.db2.gz PQSSAGUIMHRAKK-JKIFEVAISA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001006342848 1210696363 /nfs/dbraw/zinc/69/63/63/1210696363.db2.gz PQSSAGUIMHRAKK-JKIFEVAISA-N 2 1 366.506 0.153 20 0 FCADMP CCC1([NH+]2CCC2)CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000884053412 1210712186 /nfs/dbraw/zinc/71/21/86/1210712186.db2.gz VWMNBYMTBOYZGP-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884200352 1210722243 /nfs/dbraw/zinc/72/22/43/1210722243.db2.gz ZTDXDQYMDRGPCV-UHFFFAOYSA-N 2 1 374.533 0.495 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000884207734 1210723215 /nfs/dbraw/zinc/72/32/15/1210723215.db2.gz DLDUYOGOQQOQQJ-OAHLLOKOSA-N 2 1 362.474 0.602 20 0 FCADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000884208610 1210723445 /nfs/dbraw/zinc/72/34/45/1210723445.db2.gz GFVARMPPDMJMRL-KRWDZBQOSA-N 2 1 358.486 0.693 20 0 FCADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884281105 1210728468 /nfs/dbraw/zinc/72/84/68/1210728468.db2.gz BIDUSUIEOIANQJ-OAHLLOKOSA-N 2 1 355.446 0.011 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000884331617 1210730460 /nfs/dbraw/zinc/73/04/60/1210730460.db2.gz SPUINFPRDUUKEV-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000884331617 1210730464 /nfs/dbraw/zinc/73/04/64/1210730464.db2.gz SPUINFPRDUUKEV-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000884489156 1210738369 /nfs/dbraw/zinc/73/83/69/1210738369.db2.gz QZLAJTSRVBRIPV-NXHRZFHOSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000884489154 1210738689 /nfs/dbraw/zinc/73/86/89/1210738689.db2.gz QZLAJTSRVBRIPV-KBAYOESNSA-N 2 1 358.486 0.820 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884503932 1210740246 /nfs/dbraw/zinc/74/02/46/1210740246.db2.gz XUHCFNDVIYZEFI-SQNIBIBYSA-N 2 1 356.470 0.240 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000884522828 1210744708 /nfs/dbraw/zinc/74/47/08/1210744708.db2.gz IWIRNYYUEVDLLQ-RVKKMQEKSA-N 2 1 358.486 0.603 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000884522828 1210744715 /nfs/dbraw/zinc/74/47/15/1210744715.db2.gz IWIRNYYUEVDLLQ-RVKKMQEKSA-N 2 1 358.486 0.603 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000884522826 1210744911 /nfs/dbraw/zinc/74/49/11/1210744911.db2.gz IWIRNYYUEVDLLQ-IIDMSEBBSA-N 2 1 358.486 0.603 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000884522826 1210744923 /nfs/dbraw/zinc/74/49/23/1210744923.db2.gz IWIRNYYUEVDLLQ-IIDMSEBBSA-N 2 1 358.486 0.603 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532780 1210745631 /nfs/dbraw/zinc/74/56/31/1210745631.db2.gz QDTYEPGJFSPKOW-LAVFITLUSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000884560171 1210751831 /nfs/dbraw/zinc/75/18/31/1210751831.db2.gz PDAGDAFRAKDVIP-RHSMWYFYSA-N 2 1 358.486 0.888 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000884576568 1210754267 /nfs/dbraw/zinc/75/42/67/1210754267.db2.gz KQPHTCHHNBVJDZ-BMGDILEWSA-N 2 1 358.486 0.888 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884587882 1210757984 /nfs/dbraw/zinc/75/79/84/1210757984.db2.gz SUAPPLGEDIJUEQ-UHFFFAOYSA-N 2 1 362.474 0.033 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884598216 1210758744 /nfs/dbraw/zinc/75/87/44/1210758744.db2.gz VWOZDSQDJIFMAM-INIZCTEOSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598309 1210759027 /nfs/dbraw/zinc/75/90/27/1210759027.db2.gz XSBSGRBKNLSIJO-PFRQMTDMSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884604211 1210760879 /nfs/dbraw/zinc/76/08/79/1210760879.db2.gz BSUKUGCHQMPFQV-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884604209 1210761314 /nfs/dbraw/zinc/76/13/14/1210761314.db2.gz BSUKUGCHQMPFQV-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884626123 1210766097 /nfs/dbraw/zinc/76/60/97/1210766097.db2.gz BCIUEFORGBAFBB-IRXDYDNUSA-N 2 1 356.470 0.692 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670428 1210776020 /nfs/dbraw/zinc/77/60/20/1210776020.db2.gz ZPIOWPOJADEKDH-BZSNNMDCSA-N 2 1 356.470 0.560 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884674406 1210777490 /nfs/dbraw/zinc/77/74/90/1210777490.db2.gz VEAIUTYOFXODOP-NJAFHUGGSA-N 2 1 358.486 0.739 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884688310 1210781671 /nfs/dbraw/zinc/78/16/71/1210781671.db2.gz YKZOQWZPALIQBV-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884688310 1210781676 /nfs/dbraw/zinc/78/16/76/1210781676.db2.gz YKZOQWZPALIQBV-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000884714831 1210785883 /nfs/dbraw/zinc/78/58/83/1210785883.db2.gz BNXAZICIFAAYDQ-QGZVFWFLSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000884714831 1210785895 /nfs/dbraw/zinc/78/58/95/1210785895.db2.gz BNXAZICIFAAYDQ-QGZVFWFLSA-N 2 1 374.485 0.310 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000884775671 1210793550 /nfs/dbraw/zinc/79/35/50/1210793550.db2.gz IMENAZFCHSWTIN-IPMKNSEASA-N 2 1 370.497 0.950 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789850 1210795530 /nfs/dbraw/zinc/79/55/30/1210795530.db2.gz DOSPPGFLKFMTRE-JJXOGSGTSA-N 2 1 370.497 0.739 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000884824917 1210800007 /nfs/dbraw/zinc/80/00/07/1210800007.db2.gz VVJWOXWEZAEGCL-RYQLBKOJSA-N 2 1 374.485 0.179 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000884824917 1210800010 /nfs/dbraw/zinc/80/00/10/1210800010.db2.gz VVJWOXWEZAEGCL-RYQLBKOJSA-N 2 1 374.485 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824557 1210800097 /nfs/dbraw/zinc/80/00/97/1210800097.db2.gz ACEJUJOMNDMRCN-MXSMSXNCSA-N 2 1 358.486 0.737 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884833081 1210800319 /nfs/dbraw/zinc/80/03/19/1210800319.db2.gz FVWRSDLQLPGGRB-NXHRZFHOSA-N 2 1 374.485 0.057 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835243 1210800339 /nfs/dbraw/zinc/80/03/39/1210800339.db2.gz NMLKMHKNAXDGND-NUJGCVRESA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884834297 1210800481 /nfs/dbraw/zinc/80/04/81/1210800481.db2.gz UYVWNNSPMWMYNR-OWYHZJEWSA-N 2 1 370.497 0.549 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000884840207 1210800992 /nfs/dbraw/zinc/80/09/92/1210800992.db2.gz GCFCXBHHQUEUBY-LSDHHAIUSA-N 2 1 358.486 0.890 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000884840207 1210800994 /nfs/dbraw/zinc/80/09/94/1210800994.db2.gz GCFCXBHHQUEUBY-LSDHHAIUSA-N 2 1 358.486 0.890 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884968093 1210805817 /nfs/dbraw/zinc/80/58/17/1210805817.db2.gz OPSVUVUXHRALMA-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884970467 1210806079 /nfs/dbraw/zinc/80/60/79/1210806079.db2.gz JPNZVPIATBWOQB-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884973991 1210806119 /nfs/dbraw/zinc/80/61/19/1210806119.db2.gz KGPDQUZDIKJYEZ-HOTGVXAUSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)C2)cc1 ZINC000884982601 1210806355 /nfs/dbraw/zinc/80/63/55/1210806355.db2.gz GHRXAHGMBDYSHF-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983549 1210806911 /nfs/dbraw/zinc/80/69/11/1210806911.db2.gz LRGSHBWWWJYYFR-MSOLQXFVSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983549 1210806912 /nfs/dbraw/zinc/80/69/12/1210806912.db2.gz LRGSHBWWWJYYFR-MSOLQXFVSA-N 2 1 374.485 0.132 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000884983474 1210807001 /nfs/dbraw/zinc/80/70/01/1210807001.db2.gz JSWWJVWPFDBDRY-WMZOPIPTSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000884983474 1210807003 /nfs/dbraw/zinc/80/70/03/1210807003.db2.gz JSWWJVWPFDBDRY-WMZOPIPTSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000885018773 1210808745 /nfs/dbraw/zinc/80/87/45/1210808745.db2.gz SJZGOEOYPFPEAJ-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000885018773 1210808747 /nfs/dbraw/zinc/80/87/47/1210808747.db2.gz SJZGOEOYPFPEAJ-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139613 1210811894 /nfs/dbraw/zinc/81/18/94/1210811894.db2.gz KGKCLPMOEUJKCV-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143724 1210812225 /nfs/dbraw/zinc/81/22/25/1210812225.db2.gz MXOPLXHZUXAAPI-HZPDHXFCSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143724 1210812227 /nfs/dbraw/zinc/81/22/27/1210812227.db2.gz MXOPLXHZUXAAPI-HZPDHXFCSA-N 2 1 366.506 0.060 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167832 1210814430 /nfs/dbraw/zinc/81/44/30/1210814430.db2.gz PRRVOSRHVRQUMH-CEXWTWQISA-N 2 1 370.497 0.760 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000885281551 1210817084 /nfs/dbraw/zinc/81/70/84/1210817084.db2.gz VCJOAPNAABVQDD-AWEZNQCLSA-N 2 1 372.460 0.824 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000885869170 1210820968 /nfs/dbraw/zinc/82/09/68/1210820968.db2.gz PRDAWRYODXMRBG-CTNGQTDRSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869170 1210820970 /nfs/dbraw/zinc/82/09/70/1210820970.db2.gz PRDAWRYODXMRBG-CTNGQTDRSA-N 2 1 373.497 0.993 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000885869170 1210820971 /nfs/dbraw/zinc/82/09/71/1210820971.db2.gz PRDAWRYODXMRBG-CTNGQTDRSA-N 2 1 373.497 0.993 20 0 FCADMP Cn1cc(CC[NH+](C)[C@H]2CC[C@H]([N@H+](C)CCc3cn(C)nn3)CC2)nn1 ZINC000886387143 1210828928 /nfs/dbraw/zinc/82/89/28/1210828928.db2.gz VLIVAHBBVLGMJK-IYARVYRRSA-N 2 1 360.510 0.904 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872084 1210838483 /nfs/dbraw/zinc/83/84/83/1210838483.db2.gz IVDOXVGKMHISLL-XLIONFOSSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872084 1210838485 /nfs/dbraw/zinc/83/84/85/1210838485.db2.gz IVDOXVGKMHISLL-XLIONFOSSA-N 2 1 372.517 0.979 20 0 FCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000886881232 1210839352 /nfs/dbraw/zinc/83/93/52/1210839352.db2.gz VATNACFZATVUCI-ARWBCWGVSA-N 2 1 371.481 0.852 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064165 1210844602 /nfs/dbraw/zinc/84/46/02/1210844602.db2.gz BKOXHAUOIWRPBV-ZWKOTPCHSA-N 2 1 358.486 0.774 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887130588 1210848924 /nfs/dbraw/zinc/84/89/24/1210848924.db2.gz HFIRQRVKZGNSDC-JKSUJKDBSA-N 2 1 359.474 0.671 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887130588 1210848925 /nfs/dbraw/zinc/84/89/25/1210848925.db2.gz HFIRQRVKZGNSDC-JKSUJKDBSA-N 2 1 359.474 0.671 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083339 1210875752 /nfs/dbraw/zinc/87/57/52/1210875752.db2.gz DPWGNKBZAPTKTR-RDJZCZTQSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+]1CCC(NC(=O)C23CC(NC(=O)C[C@@H]4CCC[N@@H+](C)C4)(C2)C3)CC1 ZINC001274195407 1210908603 /nfs/dbraw/zinc/90/86/03/1210908603.db2.gz PHRZYYCOYWNOTG-VMEOHVCESA-N 2 1 362.518 0.968 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)C3(O)CC[NH+](C)CC3)CC2)C1 ZINC001274203272 1210911423 /nfs/dbraw/zinc/91/14/23/1210911423.db2.gz LOMNDPLCSGOPKS-UHFFFAOYSA-N 2 1 366.550 0.709 20 0 FCADMP C[NH+](C)CCN1CCCC2(CCN(C(=O)C3(O)CC[NH+](C)CC3)CC2)C1 ZINC001274203272 1210911426 /nfs/dbraw/zinc/91/14/26/1210911426.db2.gz LOMNDPLCSGOPKS-UHFFFAOYSA-N 2 1 366.550 0.709 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C2(O)CC[NH+](C)CC2)n(C)n1 ZINC001274204008 1210912282 /nfs/dbraw/zinc/91/22/82/1210912282.db2.gz PSUCQRZDPPDUKD-IRXDYDNUSA-N 2 1 361.490 0.360 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C2(O)CC[NH+](C)CC2)n(C)n1 ZINC001274204008 1210912287 /nfs/dbraw/zinc/91/22/87/1210912287.db2.gz PSUCQRZDPPDUKD-IRXDYDNUSA-N 2 1 361.490 0.360 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000889433579 1210938609 /nfs/dbraw/zinc/93/86/09/1210938609.db2.gz GYLSPNUIEFYMKL-WBVHZDCISA-N 2 1 374.489 0.642 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3CCO)n2C ZINC000889760408 1210948487 /nfs/dbraw/zinc/94/84/87/1210948487.db2.gz FYWFYQHYICFVSQ-GJZGRUSLSA-N 2 1 372.473 0.706 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000890129782 1210966370 /nfs/dbraw/zinc/96/63/70/1210966370.db2.gz DGFNBTKNDWEVDT-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000890129782 1210966371 /nfs/dbraw/zinc/96/63/71/1210966371.db2.gz DGFNBTKNDWEVDT-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000890129782 1210966373 /nfs/dbraw/zinc/96/63/73/1210966373.db2.gz DGFNBTKNDWEVDT-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890134744 1210967570 /nfs/dbraw/zinc/96/75/70/1210967570.db2.gz RDCWAFOIOZZPOK-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890141680 1210969308 /nfs/dbraw/zinc/96/93/08/1210969308.db2.gz ODCPTRHFRZQPAE-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001274950150 1211150690 /nfs/dbraw/zinc/15/06/90/1211150690.db2.gz JELWVYCFWNNKQT-UKRRQHHQSA-N 2 1 367.494 0.082 20 0 FCADMP CC[NH+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001274950150 1211150691 /nfs/dbraw/zinc/15/06/91/1211150691.db2.gz JELWVYCFWNNKQT-UKRRQHHQSA-N 2 1 367.494 0.082 20 0 FCADMP CC[NH+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001274950150 1211150692 /nfs/dbraw/zinc/15/06/92/1211150692.db2.gz JELWVYCFWNNKQT-UKRRQHHQSA-N 2 1 367.494 0.082 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147124 1211180078 /nfs/dbraw/zinc/18/00/78/1211180078.db2.gz ALNFRLGZJGLRJR-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147124 1211180080 /nfs/dbraw/zinc/18/00/80/1211180080.db2.gz ALNFRLGZJGLRJR-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC[N@@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147124 1211180081 /nfs/dbraw/zinc/18/00/81/1211180081.db2.gz ALNFRLGZJGLRJR-FQEVSTJZSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275171067 1211187911 /nfs/dbraw/zinc/18/79/11/1211187911.db2.gz CRXOOPGUDKJSQX-UYAOXDASSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275171067 1211187915 /nfs/dbraw/zinc/18/79/15/1211187915.db2.gz CRXOOPGUDKJSQX-UYAOXDASSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275171067 1211187917 /nfs/dbraw/zinc/18/79/17/1211187917.db2.gz CRXOOPGUDKJSQX-UYAOXDASSA-N 2 1 364.534 0.868 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCN3C)CC2)C1 ZINC001275177635 1211190334 /nfs/dbraw/zinc/19/03/34/1211190334.db2.gz QDRVELANUZNEIB-GOSISDBHSA-N 2 1 365.566 0.498 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343758 1211219322 /nfs/dbraw/zinc/21/93/22/1211219322.db2.gz SEDUHXVMCCQWOR-VQIMIIECSA-N 2 1 366.506 0.430 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343758 1211219323 /nfs/dbraw/zinc/21/93/23/1211219323.db2.gz SEDUHXVMCCQWOR-VQIMIIECSA-N 2 1 366.506 0.430 20 0 FCADMP COc1ncc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275366742 1211224472 /nfs/dbraw/zinc/22/44/72/1211224472.db2.gz XZTOJWOFWJOTOM-GOSISDBHSA-N 2 1 361.446 0.388 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447692 1211239441 /nfs/dbraw/zinc/23/94/41/1211239441.db2.gz NABQJOCEWXRCIN-IBGZPJMESA-N 2 1 359.474 0.835 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447692 1211239444 /nfs/dbraw/zinc/23/94/44/1211239444.db2.gz NABQJOCEWXRCIN-IBGZPJMESA-N 2 1 359.474 0.835 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275449023 1211239551 /nfs/dbraw/zinc/23/95/51/1211239551.db2.gz YYBQFFJFXBBCIF-RDTXWAMCSA-N 2 1 359.430 0.099 20 0 FCADMP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O 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CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001111141955 1211897548 /nfs/dbraw/zinc/89/75/48/1211897548.db2.gz OAHQVFCZKZEWOI-FRQCXROJSA-N 2 1 361.490 0.881 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001111141955 1211897549 /nfs/dbraw/zinc/89/75/49/1211897549.db2.gz OAHQVFCZKZEWOI-FRQCXROJSA-N 2 1 361.490 0.881 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)CC1 ZINC001111197287 1211922706 /nfs/dbraw/zinc/92/27/06/1211922706.db2.gz RBUZHUZUIAQNLZ-OIISXLGYSA-N 2 1 362.478 0.110 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)C1CC[NH+](CC2CC2)CC1 ZINC001111261189 1211978807 /nfs/dbraw/zinc/97/88/07/1211978807.db2.gz GBWBIJYGDDIRMG-QRVBRYPASA-N 2 1 365.518 0.839 20 0 FCADMP COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)nn1 ZINC001095768450 1211981248 /nfs/dbraw/zinc/98/12/48/1211981248.db2.gz FRVQTBZTPRAETN-PMPSAXMXSA-N 2 1 356.430 0.912 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000948961872 1212269082 /nfs/dbraw/zinc/26/90/82/1212269082.db2.gz OBQZEQNBKOIWBF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000948961872 1212269084 /nfs/dbraw/zinc/26/90/84/1212269084.db2.gz OBQZEQNBKOIWBF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000948961872 1212269085 /nfs/dbraw/zinc/26/90/85/1212269085.db2.gz OBQZEQNBKOIWBF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000948961872 1212269089 /nfs/dbraw/zinc/26/90/89/1212269089.db2.gz OBQZEQNBKOIWBF-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007482970 1212503774 /nfs/dbraw/zinc/50/37/74/1212503774.db2.gz AELOZRDYGPETRX-JXFKEZNVSA-N 2 1 371.485 0.785 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001007484245 1212504881 /nfs/dbraw/zinc/50/48/81/1212504881.db2.gz ODCLFIHNPVYNPM-LPHOPBHVSA-N 2 1 359.474 0.785 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1 ZINC001111308299 1212537631 /nfs/dbraw/zinc/53/76/31/1212537631.db2.gz MFQYZZHDMCFRMM-TVFCKZIOSA-N 2 1 363.506 0.697 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001111308299 1212537637 /nfs/dbraw/zinc/53/76/37/1212537637.db2.gz MFQYZZHDMCFRMM-TVFCKZIOSA-N 2 1 363.506 0.697 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001111308299 1212537640 /nfs/dbraw/zinc/53/76/40/1212537640.db2.gz MFQYZZHDMCFRMM-TVFCKZIOSA-N 2 1 363.506 0.697 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950241348 1212538084 /nfs/dbraw/zinc/53/80/84/1212538084.db2.gz CYLISZVGZFBMQU-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000950243482 1212539550 /nfs/dbraw/zinc/53/95/50/1212539550.db2.gz DZWOBMHBPNXFFG-OWCLPIDISA-N 2 1 361.490 0.984 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1C ZINC000950243925 1212540062 /nfs/dbraw/zinc/54/00/62/1212540062.db2.gz PSKYCHUGNLIURJ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221587999 1225382828 /nfs/dbraw/zinc/38/28/28/1225382828.db2.gz POFLGZTUUFAATA-OWCLPIDISA-N 2 1 369.485 0.224 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221587999 1225382836 /nfs/dbraw/zinc/38/28/36/1225382836.db2.gz POFLGZTUUFAATA-OWCLPIDISA-N 2 1 369.485 0.224 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCCCC2)O1 ZINC000950793736 1212677007 /nfs/dbraw/zinc/67/70/07/1212677007.db2.gz UVEVJEMBXIXCEA-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)CC[NH+]2CCCCC2)O1 ZINC000950793736 1212677012 /nfs/dbraw/zinc/67/70/12/1212677012.db2.gz UVEVJEMBXIXCEA-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008337720 1212680687 /nfs/dbraw/zinc/68/06/87/1212680687.db2.gz BMXHIJLTSYQIAU-BZUAXINKSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008337720 1212680692 /nfs/dbraw/zinc/68/06/92/1212680692.db2.gz BMXHIJLTSYQIAU-BZUAXINKSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000951094000 1212759344 /nfs/dbraw/zinc/75/93/44/1212759344.db2.gz AELSCOQXDVXFGJ-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000951094000 1212759346 /nfs/dbraw/zinc/75/93/46/1212759346.db2.gz AELSCOQXDVXFGJ-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616177 1225398492 /nfs/dbraw/zinc/39/84/92/1225398492.db2.gz HGIPDUSFTGBZOD-IXDOHACOSA-N 2 1 362.474 0.956 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616177 1225398500 /nfs/dbraw/zinc/39/85/00/1225398500.db2.gz HGIPDUSFTGBZOD-IXDOHACOSA-N 2 1 362.474 0.956 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616967 1225400945 /nfs/dbraw/zinc/40/09/45/1225400945.db2.gz YCMREBLBKXXOKE-KURKYZTESA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000954406240 1213068639 /nfs/dbraw/zinc/06/86/39/1213068639.db2.gz QUUHJFWGOZGGQF-UKRRQHHQSA-N 2 1 359.474 0.771 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954408832 1213069679 /nfs/dbraw/zinc/06/96/79/1213069679.db2.gz TUEGLGVSLFQHBE-JFIYKMOQSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954408832 1213069683 /nfs/dbraw/zinc/06/96/83/1213069683.db2.gz TUEGLGVSLFQHBE-JFIYKMOQSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954408832 1213069687 /nfs/dbraw/zinc/06/96/87/1213069687.db2.gz TUEGLGVSLFQHBE-JFIYKMOQSA-N 2 1 364.534 0.974 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221658918 1225422566 /nfs/dbraw/zinc/42/25/66/1225422566.db2.gz ATJAZJQIUAGCGY-KBAYOESNSA-N 2 1 371.485 0.719 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001221658918 1225422572 /nfs/dbraw/zinc/42/25/72/1225422572.db2.gz ATJAZJQIUAGCGY-KBAYOESNSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000954775217 1213110111 /nfs/dbraw/zinc/11/01/11/1213110111.db2.gz MDADWFLPNNWAKM-CXAGYDPISA-N 2 1 371.441 0.336 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000954775217 1213110114 /nfs/dbraw/zinc/11/01/14/1213110114.db2.gz MDADWFLPNNWAKM-CXAGYDPISA-N 2 1 371.441 0.336 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089354 1213248865 /nfs/dbraw/zinc/24/88/65/1213248865.db2.gz CGBZZDVGCRYUOT-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089353 1213249050 /nfs/dbraw/zinc/24/90/50/1213249050.db2.gz CGBZZDVGCRYUOT-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957088279 1213249282 /nfs/dbraw/zinc/24/92/82/1213249282.db2.gz YXETYNFEJBFHOL-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+](Cc1nnnn1C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716041 1213350569 /nfs/dbraw/zinc/35/05/69/1213350569.db2.gz QTBFHWSQBCMNLF-GDBMZVCRSA-N 2 1 363.510 0.611 20 0 FCADMP CC[N@H+](Cc1nnnn1C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716041 1213350570 /nfs/dbraw/zinc/35/05/70/1213350570.db2.gz QTBFHWSQBCMNLF-GDBMZVCRSA-N 2 1 363.510 0.611 20 0 FCADMP CC[NH+](Cc1nnnn1C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000957716041 1213350572 /nfs/dbraw/zinc/35/05/72/1213350572.db2.gz QTBFHWSQBCMNLF-GDBMZVCRSA-N 2 1 363.510 0.611 20 0 FCADMP CC[NH+](Cc1nnnn1C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000957716041 1213350573 /nfs/dbraw/zinc/35/05/73/1213350573.db2.gz QTBFHWSQBCMNLF-GDBMZVCRSA-N 2 1 363.510 0.611 20 0 FCADMP C[NH+](C)CCN1CC2(C[NH+](CC3CCC4(CC3)OCCO4)C2)OCC1=O ZINC001276331404 1213415560 /nfs/dbraw/zinc/41/55/60/1213415560.db2.gz KOFPXWIVVBWHIG-UHFFFAOYSA-N 2 1 367.490 0.395 20 0 FCADMP CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)C1 ZINC001095912104 1213450606 /nfs/dbraw/zinc/45/06/06/1213450606.db2.gz ICPJMNWQFNLAIM-VSZNYVQBSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001095912104 1213450609 /nfs/dbraw/zinc/45/06/09/1213450609.db2.gz ICPJMNWQFNLAIM-VSZNYVQBSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001095912104 1213450614 /nfs/dbraw/zinc/45/06/14/1213450614.db2.gz ICPJMNWQFNLAIM-VSZNYVQBSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)C1 ZINC001095912104 1213450619 /nfs/dbraw/zinc/45/06/19/1213450619.db2.gz ICPJMNWQFNLAIM-VSZNYVQBSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)C1 ZINC001095912104 1213450622 /nfs/dbraw/zinc/45/06/22/1213450622.db2.gz ICPJMNWQFNLAIM-VSZNYVQBSA-N 2 1 361.490 0.714 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001221710861 1225452159 /nfs/dbraw/zinc/45/21/59/1225452159.db2.gz MIPVGZVTARGJEC-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001221710861 1225452164 /nfs/dbraw/zinc/45/21/64/1225452164.db2.gz MIPVGZVTARGJEC-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000959966346 1213564814 /nfs/dbraw/zinc/56/48/14/1213564814.db2.gz LJEADPZETKUZFD-HBRVENNYSA-N 2 1 370.497 0.933 20 0 FCADMP CNC(=O)c1cccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000959966346 1213564816 /nfs/dbraw/zinc/56/48/16/1213564816.db2.gz LJEADPZETKUZFD-HBRVENNYSA-N 2 1 370.497 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@@H+]1C ZINC000960010585 1213580157 /nfs/dbraw/zinc/58/01/57/1213580157.db2.gz LUYCMTWKUSELKS-VNQPRFMTSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@H+]1C ZINC000960010585 1213580162 /nfs/dbraw/zinc/58/01/62/1213580162.db2.gz LUYCMTWKUSELKS-VNQPRFMTSA-N 2 1 361.494 0.819 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)CCC1 ZINC000960140013 1213634357 /nfs/dbraw/zinc/63/43/57/1213634357.db2.gz VZOLBEHIGBUWHK-OWCLPIDISA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)C[NH+]4CCCC4)C3)C2)CC[N@H+]1C ZINC001014003671 1213917237 /nfs/dbraw/zinc/91/72/37/1213917237.db2.gz XEBZQFQCSLYZET-FUNFLYJBSA-N 2 1 362.518 0.966 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221818402 1225491835 /nfs/dbraw/zinc/49/18/35/1225491835.db2.gz VYKKPCHCVWHVNC-HZPDHXFCSA-N 2 1 365.522 0.522 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221818402 1225491839 /nfs/dbraw/zinc/49/18/39/1225491839.db2.gz VYKKPCHCVWHVNC-HZPDHXFCSA-N 2 1 365.522 0.522 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221818402 1225491841 /nfs/dbraw/zinc/49/18/41/1225491841.db2.gz VYKKPCHCVWHVNC-HZPDHXFCSA-N 2 1 365.522 0.522 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001221818402 1225491845 /nfs/dbraw/zinc/49/18/45/1225491845.db2.gz VYKKPCHCVWHVNC-HZPDHXFCSA-N 2 1 365.522 0.522 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCn2cncn2)CC3)CC[N@H+]1C ZINC001016631111 1214025320 /nfs/dbraw/zinc/02/53/20/1214025320.db2.gz NIPAVDKFDHNSPF-BBWFWOEESA-N 2 1 360.506 0.979 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)N2CCCC2)CC3)CC[N@H+]1C ZINC001016632029 1214025432 /nfs/dbraw/zinc/02/54/32/1214025432.db2.gz KBNOEHLCTGYGHG-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001017133269 1214075473 /nfs/dbraw/zinc/07/54/73/1214075473.db2.gz QKCHVOYUJLVJKB-RBSFLKMASA-N 2 1 364.494 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001017133269 1214075478 /nfs/dbraw/zinc/07/54/78/1214075478.db2.gz QKCHVOYUJLVJKB-RBSFLKMASA-N 2 1 364.494 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001017133269 1214075482 /nfs/dbraw/zinc/07/54/82/1214075482.db2.gz QKCHVOYUJLVJKB-RBSFLKMASA-N 2 1 364.494 0.119 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cncn3C)C2)O1 ZINC001017153745 1214075825 /nfs/dbraw/zinc/07/58/25/1214075825.db2.gz QUGVFSNCQRSAQK-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cncn3C)C2)O1 ZINC001017153745 1214075834 /nfs/dbraw/zinc/07/58/34/1214075834.db2.gz QUGVFSNCQRSAQK-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cncn3C)C2)O1 ZINC001017153745 1214075844 /nfs/dbraw/zinc/07/58/44/1214075844.db2.gz QUGVFSNCQRSAQK-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cncn3C)C2)O1 ZINC001017153745 1214075851 /nfs/dbraw/zinc/07/58/51/1214075851.db2.gz QUGVFSNCQRSAQK-SOLBZPMBSA-N 2 1 363.506 0.810 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC001018871036 1214167099 /nfs/dbraw/zinc/16/70/99/1214167099.db2.gz WJDPXCCCQIFWRH-MELADBBJSA-N 2 1 370.448 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC001018871036 1214167103 /nfs/dbraw/zinc/16/71/03/1214167103.db2.gz WJDPXCCCQIFWRH-MELADBBJSA-N 2 1 370.448 0.964 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365305 1214181649 /nfs/dbraw/zinc/18/16/49/1214181649.db2.gz HTVMCJHANFEYQY-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365305 1214181653 /nfs/dbraw/zinc/18/16/53/1214181653.db2.gz HTVMCJHANFEYQY-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365305 1214181657 /nfs/dbraw/zinc/18/16/57/1214181657.db2.gz HTVMCJHANFEYQY-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H](C1)O2 ZINC001276365305 1214181660 /nfs/dbraw/zinc/18/16/60/1214181660.db2.gz HTVMCJHANFEYQY-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416641 1214239575 /nfs/dbraw/zinc/23/95/75/1214239575.db2.gz RPPIWISOAYVGLD-BBWFWOEESA-N 2 1 369.473 0.246 20 0 FCADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416641 1214239582 /nfs/dbraw/zinc/23/95/82/1214239582.db2.gz RPPIWISOAYVGLD-BBWFWOEESA-N 2 1 369.473 0.246 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)CC[N@H+]1C ZINC000961665531 1214261767 /nfs/dbraw/zinc/26/17/67/1214261767.db2.gz WSGAVGHDTYLUCL-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961665531 1214261774 /nfs/dbraw/zinc/26/17/74/1214261774.db2.gz WSGAVGHDTYLUCL-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961665531 1214261775 /nfs/dbraw/zinc/26/17/75/1214261775.db2.gz WSGAVGHDTYLUCL-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCCC[NH+]4C)C[C@@H]3C2)CC[N@H+]1C ZINC000961666815 1214262377 /nfs/dbraw/zinc/26/23/77/1214262377.db2.gz NMBMLBLGWQYEDU-SFFUCWETSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCCC[N@@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961666815 1214262383 /nfs/dbraw/zinc/26/23/83/1214262383.db2.gz NMBMLBLGWQYEDU-SFFUCWETSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961666815 1214262384 /nfs/dbraw/zinc/26/23/84/1214262384.db2.gz NMBMLBLGWQYEDU-SFFUCWETSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001020172079 1214317232 /nfs/dbraw/zinc/31/72/32/1214317232.db2.gz LETJWXOKMBFYPM-KBUPBQIOSA-N 2 1 363.510 0.548 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039580897 1214387422 /nfs/dbraw/zinc/38/74/22/1214387422.db2.gz GUULWGNKNRUBJZ-OAGGEKHMSA-N 2 1 370.461 0.643 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039580897 1214387432 /nfs/dbraw/zinc/38/74/32/1214387432.db2.gz GUULWGNKNRUBJZ-OAGGEKHMSA-N 2 1 370.461 0.643 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC000961990113 1214394976 /nfs/dbraw/zinc/39/49/76/1214394976.db2.gz JEOVAEYZBFDZQQ-SEVFCGSRSA-N 2 1 361.490 0.533 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC000961990113 1214394982 /nfs/dbraw/zinc/39/49/82/1214394982.db2.gz JEOVAEYZBFDZQQ-SEVFCGSRSA-N 2 1 361.490 0.533 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001039867291 1214452158 /nfs/dbraw/zinc/45/21/58/1214452158.db2.gz GLCROSUZXDOWSV-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001039867291 1214452164 /nfs/dbraw/zinc/45/21/64/1214452164.db2.gz GLCROSUZXDOWSV-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039867291 1214452169 /nfs/dbraw/zinc/45/21/69/1214452169.db2.gz GLCROSUZXDOWSV-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894841 1225526145 /nfs/dbraw/zinc/52/61/45/1225526145.db2.gz KITGYHVSKNLLTL-SJLPKXTDSA-N 2 1 369.506 0.293 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919394 1225534759 /nfs/dbraw/zinc/53/47/59/1225534759.db2.gz MKISFLBPKRJPBX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919394 1225534761 /nfs/dbraw/zinc/53/47/61/1225534761.db2.gz MKISFLBPKRJPBX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919394 1225534763 /nfs/dbraw/zinc/53/47/63/1225534763.db2.gz MKISFLBPKRJPBX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919394 1225534767 /nfs/dbraw/zinc/53/47/67/1225534767.db2.gz MKISFLBPKRJPBX-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950143 1225548961 /nfs/dbraw/zinc/54/89/61/1225548961.db2.gz VNHGSKIOBWGJAW-KZNAEPCWSA-N 2 1 365.518 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3nncn3C)CC2)O1 ZINC000963551541 1214820306 /nfs/dbraw/zinc/82/03/06/1214820306.db2.gz PKRKZMAOKYQMAM-PRLABOORSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3nncn3C)CC2)O1 ZINC000963551541 1214820308 /nfs/dbraw/zinc/82/03/08/1214820308.db2.gz PKRKZMAOKYQMAM-PRLABOORSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cncn3C)CC2)O1 ZINC000963551371 1214820445 /nfs/dbraw/zinc/82/04/45/1214820445.db2.gz LPSJPGGASWJKQM-YHOLWWCESA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cncn3C)CC2)O1 ZINC000963551371 1214820446 /nfs/dbraw/zinc/82/04/46/1214820446.db2.gz LPSJPGGASWJKQM-YHOLWWCESA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000964536193 1214975644 /nfs/dbraw/zinc/97/56/44/1214975644.db2.gz LMESNRZCEMWSRI-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000968091900 1215283828 /nfs/dbraw/zinc/28/38/28/1215283828.db2.gz TUJKGKBHHSKVFP-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000968091900 1215283831 /nfs/dbraw/zinc/28/38/31/1215283831.db2.gz TUJKGKBHHSKVFP-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000968091900 1215283834 /nfs/dbraw/zinc/28/38/34/1215283834.db2.gz TUJKGKBHHSKVFP-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000968091900 1215283838 /nfs/dbraw/zinc/28/38/38/1215283838.db2.gz TUJKGKBHHSKVFP-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000968091900 1215283842 /nfs/dbraw/zinc/28/38/42/1215283842.db2.gz TUJKGKBHHSKVFP-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055647262 1215897107 /nfs/dbraw/zinc/89/71/07/1215897107.db2.gz PGUVWNPEQLLLGW-QAPCUYQASA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055647380 1215897303 /nfs/dbraw/zinc/89/73/03/1215897303.db2.gz RGSVEYFBTOXJFM-VYDXJSESSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001055651633 1215899529 /nfs/dbraw/zinc/89/95/29/1215899529.db2.gz UYEINIUNAXKBLL-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001056106016 1215948679 /nfs/dbraw/zinc/94/86/79/1215948679.db2.gz RKYWTMGCUBIOOT-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC001222646433 1225642784 /nfs/dbraw/zinc/64/27/84/1225642784.db2.gz AXIVHWYMQUOJQC-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694294 1225645763 /nfs/dbraw/zinc/64/57/63/1225645763.db2.gz SBHAXCIOBHJNKS-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694294 1225645766 /nfs/dbraw/zinc/64/57/66/1225645766.db2.gz SBHAXCIOBHJNKS-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)CC[N@H+]1C ZINC001222707289 1225647246 /nfs/dbraw/zinc/64/72/46/1225647246.db2.gz DFMMMDZWGAVCAJ-AHCXZYCDSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)CC[NH+]1C ZINC001222707289 1225647248 /nfs/dbraw/zinc/64/72/48/1225647248.db2.gz DFMMMDZWGAVCAJ-AHCXZYCDSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)CC[NH+]1C ZINC001222707289 1225647253 /nfs/dbraw/zinc/64/72/53/1225647253.db2.gz DFMMMDZWGAVCAJ-AHCXZYCDSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001000477939 1216069181 /nfs/dbraw/zinc/06/91/81/1216069181.db2.gz SAJDKNQUJGYXNU-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@H]3CCNC3=O)cc2F)CC[N@H+]1C ZINC001001522577 1216231939 /nfs/dbraw/zinc/23/19/39/1216231939.db2.gz FVMGQDRHBVFLME-VMGRFDJRSA-N 2 1 362.449 0.760 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531787 1216238102 /nfs/dbraw/zinc/23/81/02/1216238102.db2.gz JFYJNUQZJADDQN-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531787 1216238112 /nfs/dbraw/zinc/23/81/12/1216238112.db2.gz JFYJNUQZJADDQN-JKIFEVAISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001050048972 1216274301 /nfs/dbraw/zinc/27/43/01/1216274301.db2.gz DHBFMEIDZMOVJV-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001050048972 1216274311 /nfs/dbraw/zinc/27/43/11/1216274311.db2.gz DHBFMEIDZMOVJV-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001050048972 1216274326 /nfs/dbraw/zinc/27/43/26/1216274326.db2.gz DHBFMEIDZMOVJV-CYGHRXIMSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)CC[N@H+]1C ZINC001050525440 1216330711 /nfs/dbraw/zinc/33/07/11/1216330711.db2.gz XLEXBLFGKRXKQM-KFWWJZLASA-N 2 1 362.474 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC2CC2)CC3)CC[N@H+]1C ZINC001050523929 1216331673 /nfs/dbraw/zinc/33/16/73/1216331673.db2.gz MITXFEYSWRLHGY-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968739 1225671397 /nfs/dbraw/zinc/67/13/97/1225671397.db2.gz RPVJMGTWDSHWBH-SQNIBIBYSA-N 2 1 365.518 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cn(CC)nn3)C2)CC[N@@H+]1C ZINC001051623340 1216467856 /nfs/dbraw/zinc/46/78/56/1216467856.db2.gz FNXPHOSOOSLFHZ-IXDOHACOSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cn(CC)nn3)C2)CC[N@H+]1C ZINC001051623340 1216467862 /nfs/dbraw/zinc/46/78/62/1216467862.db2.gz FNXPHOSOOSLFHZ-IXDOHACOSA-N 2 1 364.494 0.345 20 0 FCADMP COc1ccnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)c1 ZINC001051622759 1216468334 /nfs/dbraw/zinc/46/83/34/1216468334.db2.gz XRVZWPNWEVDMCB-FHLIZLRMSA-N 2 1 362.474 0.747 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccn3CC)C2)CC[N@H+]1C ZINC001051624938 1216469093 /nfs/dbraw/zinc/46/90/93/1216469093.db2.gz WHFMGGLYADPATL-IXDOHACOSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624755 1216470138 /nfs/dbraw/zinc/47/01/38/1216470138.db2.gz UIVLEPKESITYGO-FVQBIDKESA-N 2 1 364.494 0.264 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624755 1216470140 /nfs/dbraw/zinc/47/01/40/1216470140.db2.gz UIVLEPKESITYGO-FVQBIDKESA-N 2 1 364.494 0.264 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001051678914 1216474459 /nfs/dbraw/zinc/47/44/59/1216474459.db2.gz FOLPQKJGIVXENX-XOKHGSTOSA-N 2 1 366.437 0.257 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001051678914 1216474461 /nfs/dbraw/zinc/47/44/61/1216474461.db2.gz FOLPQKJGIVXENX-XOKHGSTOSA-N 2 1 366.437 0.257 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1=O ZINC000827320075 1216586730 /nfs/dbraw/zinc/58/67/30/1216586730.db2.gz QQSSZOKDTIMXLN-MLHJIOFPSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1=O ZINC000827320075 1216586733 /nfs/dbraw/zinc/58/67/33/1216586733.db2.gz QQSSZOKDTIMXLN-MLHJIOFPSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC000827320075 1216586738 /nfs/dbraw/zinc/58/67/38/1216586738.db2.gz QQSSZOKDTIMXLN-MLHJIOFPSA-N 2 1 362.518 0.872 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115717 1225682612 /nfs/dbraw/zinc/68/26/12/1225682612.db2.gz JNTVYCHKHLVKIN-OLMNPRSZSA-N 2 1 358.442 0.878 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827706336 1216642969 /nfs/dbraw/zinc/64/29/69/1216642969.db2.gz LMIUJXFLOJLZKT-BBWFWOEESA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001058236642 1216654662 /nfs/dbraw/zinc/65/46/62/1216654662.db2.gz AZDUYOQPPXDBRZ-DLBZAZTESA-N 2 1 370.538 0.386 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCO2 ZINC001068401833 1216731630 /nfs/dbraw/zinc/73/16/30/1216731630.db2.gz UAZTUTADBQMUMY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401833 1216731638 /nfs/dbraw/zinc/73/16/38/1216731638.db2.gz UAZTUTADBQMUMY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401833 1216731642 /nfs/dbraw/zinc/73/16/42/1216731642.db2.gz UAZTUTADBQMUMY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC3(CN(C(=O)CC[NH+](C)C)C3)O2)CC[N@H+]1C ZINC001068579447 1216746810 /nfs/dbraw/zinc/74/68/10/1216746810.db2.gz PESTXWAEYOOEDV-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068939650 1216770340 /nfs/dbraw/zinc/77/03/40/1216770340.db2.gz GGKCRBDGWGTGGD-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068939650 1216770347 /nfs/dbraw/zinc/77/03/47/1216770347.db2.gz GGKCRBDGWGTGGD-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068939650 1216770351 /nfs/dbraw/zinc/77/03/51/1216770351.db2.gz GGKCRBDGWGTGGD-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838799 1216805207 /nfs/dbraw/zinc/80/52/07/1216805207.db2.gz IHWIUXVGVOOLBB-DJIMGWMZSA-N 2 1 361.490 0.605 20 0 FCADMP CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838799 1216805208 /nfs/dbraw/zinc/80/52/08/1216805208.db2.gz IHWIUXVGVOOLBB-DJIMGWMZSA-N 2 1 361.490 0.605 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903002 1216828807 /nfs/dbraw/zinc/82/88/07/1216828807.db2.gz ZHUXSEUMVYKXRL-QYZOEREBSA-N 2 1 368.485 0.957 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903002 1216828808 /nfs/dbraw/zinc/82/88/08/1216828808.db2.gz ZHUXSEUMVYKXRL-QYZOEREBSA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903002 1216828809 /nfs/dbraw/zinc/82/88/09/1216828809.db2.gz ZHUXSEUMVYKXRL-QYZOEREBSA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069903002 1216828815 /nfs/dbraw/zinc/82/88/15/1216828815.db2.gz ZHUXSEUMVYKXRL-QYZOEREBSA-N 2 1 368.485 0.957 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069928983 1216848791 /nfs/dbraw/zinc/84/87/91/1216848791.db2.gz OPQDDNNICLHARA-CVEARBPZSA-N 2 1 360.466 0.100 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223513127 1225712470 /nfs/dbraw/zinc/71/24/70/1225712470.db2.gz XBMBCXCWVXDDOT-ILXRZTDVSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223513127 1225712471 /nfs/dbraw/zinc/71/24/71/1225712471.db2.gz XBMBCXCWVXDDOT-ILXRZTDVSA-N 2 1 367.494 0.095 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678440 1225726923 /nfs/dbraw/zinc/72/69/23/1225726923.db2.gz FODDYHPZTLWHLV-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678440 1225726928 /nfs/dbraw/zinc/72/69/28/1225726928.db2.gz FODDYHPZTLWHLV-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223916964 1225745950 /nfs/dbraw/zinc/74/59/50/1225745950.db2.gz WWWMYEYEDVQWLQ-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916742 1225746740 /nfs/dbraw/zinc/74/67/40/1225746740.db2.gz OCMPIIYZFVKMAB-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916742 1225746743 /nfs/dbraw/zinc/74/67/43/1225746743.db2.gz OCMPIIYZFVKMAB-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276932680 1225748259 /nfs/dbraw/zinc/74/82/59/1225748259.db2.gz FJUJMEIGUFXDDA-LJQANCHMSA-N 2 1 359.474 0.996 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223947198 1225748540 /nfs/dbraw/zinc/74/85/40/1225748540.db2.gz YJGIPDKGUSVPKG-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223977766 1225750084 /nfs/dbraw/zinc/75/00/84/1225750084.db2.gz LFJKFOWHRCYJBH-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223977766 1225750088 /nfs/dbraw/zinc/75/00/88/1225750088.db2.gz LFJKFOWHRCYJBH-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCCCOC)[C@H]2C1 ZINC001223977766 1225750090 /nfs/dbraw/zinc/75/00/90/1225750090.db2.gz LFJKFOWHRCYJBH-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)NC(=O)CN1CC[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001224036658 1225753540 /nfs/dbraw/zinc/75/35/40/1225753540.db2.gz JTJCDPYBOLJFOX-WBVHZDCISA-N 2 1 361.490 0.800 20 0 FCADMP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130133 1225759790 /nfs/dbraw/zinc/75/97/90/1225759790.db2.gz OIOGQGMTGPNXPH-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130133 1225759794 /nfs/dbraw/zinc/75/97/94/1225759794.db2.gz OIOGQGMTGPNXPH-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130133 1225759796 /nfs/dbraw/zinc/75/97/96/1225759796.db2.gz OIOGQGMTGPNXPH-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130133 1225759798 /nfs/dbraw/zinc/75/97/98/1225759798.db2.gz OIOGQGMTGPNXPH-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C3)n1 ZINC001096015917 1217913220 /nfs/dbraw/zinc/91/32/20/1217913220.db2.gz UHEKSGYBHXFJLL-NBMRYCAZSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C3)n1 ZINC001096015917 1217913226 /nfs/dbraw/zinc/91/32/26/1217913226.db2.gz UHEKSGYBHXFJLL-NBMRYCAZSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C3)n1 ZINC001096015917 1217913231 /nfs/dbraw/zinc/91/32/31/1217913231.db2.gz UHEKSGYBHXFJLL-NBMRYCAZSA-N 2 1 360.506 0.958 20 0 FCADMP C[NH+](C)CCN1C[C@H](c2cccnc2)C2(CC[NH+](CC(N)=O)CC2)C1=O ZINC001276965405 1225776215 /nfs/dbraw/zinc/77/62/15/1225776215.db2.gz JZBYMEFMMGTQMK-MRXNPFEDSA-N 2 1 359.474 0.137 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000900586893 1218009416 /nfs/dbraw/zinc/00/94/16/1218009416.db2.gz SGXSOXKABAZSHZ-SJORKVTESA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000900586893 1218009423 /nfs/dbraw/zinc/00/94/23/1218009423.db2.gz SGXSOXKABAZSHZ-SJORKVTESA-N 2 1 369.506 0.831 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC000900613806 1218013240 /nfs/dbraw/zinc/01/32/40/1218013240.db2.gz XDUQTCRGLTUTIF-UHFFFAOYSA-N 2 1 365.522 0.764 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)c1cnc(C(=O)NCC[N@H+](C)C(C)C)cn1 ZINC000900697235 1218027206 /nfs/dbraw/zinc/02/72/06/1218027206.db2.gz JFLYHVDXEUFHGC-UHFFFAOYSA-N 2 1 364.494 0.617 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001047386547 1218138873 /nfs/dbraw/zinc/13/88/73/1218138873.db2.gz ZUTZPIYUPRJVMA-OAOYMFHYSA-N 2 1 361.486 0.523 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[NH+]1C ZINC001047386547 1218138879 /nfs/dbraw/zinc/13/88/79/1218138879.db2.gz ZUTZPIYUPRJVMA-OAOYMFHYSA-N 2 1 361.486 0.523 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC[NH+]1C ZINC001047386547 1218138882 /nfs/dbraw/zinc/13/88/82/1218138882.db2.gz ZUTZPIYUPRJVMA-OAOYMFHYSA-N 2 1 361.486 0.523 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096351012 1218260702 /nfs/dbraw/zinc/26/07/02/1218260702.db2.gz XGCRAVIJLUJBTI-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096351012 1218260710 /nfs/dbraw/zinc/26/07/10/1218260710.db2.gz XGCRAVIJLUJBTI-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096351012 1218260718 /nfs/dbraw/zinc/26/07/18/1218260718.db2.gz XGCRAVIJLUJBTI-FZKCQIBNSA-N 2 1 362.474 0.199 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001225526174 1225815243 /nfs/dbraw/zinc/81/52/43/1225815243.db2.gz YTXWBBQKRUNTIR-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001225526174 1225815244 /nfs/dbraw/zinc/81/52/44/1225815244.db2.gz YTXWBBQKRUNTIR-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001049075531 1218377795 /nfs/dbraw/zinc/37/77/95/1218377795.db2.gz QBKYCKFPUGYMPC-XDNAFOTISA-N 2 1 356.470 0.207 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001049075531 1218377802 /nfs/dbraw/zinc/37/78/02/1218377802.db2.gz QBKYCKFPUGYMPC-XDNAFOTISA-N 2 1 356.470 0.207 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001049075531 1218377808 /nfs/dbraw/zinc/37/78/08/1218377808.db2.gz QBKYCKFPUGYMPC-XDNAFOTISA-N 2 1 356.470 0.207 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001096549256 1218477499 /nfs/dbraw/zinc/47/74/99/1218477499.db2.gz XCZZWOUXGPQLSM-UGUYLWEFSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001096549256 1218477503 /nfs/dbraw/zinc/47/75/03/1218477503.db2.gz XCZZWOUXGPQLSM-UGUYLWEFSA-N 2 1 355.446 0.692 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550073 1218486384 /nfs/dbraw/zinc/48/63/84/1218486384.db2.gz VXABAUJJACRLQA-VSZNYVQBSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCn2cccn2)O1 ZINC001049550073 1218486386 /nfs/dbraw/zinc/48/63/86/1218486386.db2.gz VXABAUJJACRLQA-VSZNYVQBSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCn2cccn2)O1 ZINC001049550073 1218486390 /nfs/dbraw/zinc/48/63/90/1218486390.db2.gz VXABAUJJACRLQA-VSZNYVQBSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCn2cccn2)O1 ZINC001049550073 1218486395 /nfs/dbraw/zinc/48/63/95/1218486395.db2.gz VXABAUJJACRLQA-VSZNYVQBSA-N 2 1 361.490 0.668 20 0 FCADMP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757604 1218517252 /nfs/dbraw/zinc/51/72/52/1218517252.db2.gz DVSUAIRUQHHLQW-GJZGRUSLSA-N 2 1 363.462 0.860 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769867 1218521955 /nfs/dbraw/zinc/52/19/55/1218521955.db2.gz QJNKAXXCCFGWFD-FUHIMQAGSA-N 3 1 374.533 0.767 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001096608796 1218575375 /nfs/dbraw/zinc/57/53/75/1218575375.db2.gz FTAYXIBTEZWQPO-LAVFITLUSA-N 2 1 356.470 0.972 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000803995633 1218579919 /nfs/dbraw/zinc/57/99/19/1218579919.db2.gz JLJXSBSOMQHENE-DLBZAZTESA-N 2 1 366.506 0.347 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001097085520 1218685230 /nfs/dbraw/zinc/68/52/30/1218685230.db2.gz HHVHOTHZSQIHBZ-TWMKSMIVSA-N 2 1 361.490 0.075 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)cn1 ZINC001097095894 1218688225 /nfs/dbraw/zinc/68/82/25/1218688225.db2.gz YSTPXQDKOITROD-NXHRZFHOSA-N 2 1 371.489 0.714 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)cn1 ZINC001097095894 1218688229 /nfs/dbraw/zinc/68/82/29/1218688229.db2.gz YSTPXQDKOITROD-NXHRZFHOSA-N 2 1 371.489 0.714 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001097102122 1218689287 /nfs/dbraw/zinc/68/92/87/1218689287.db2.gz OLDIHTKKGIRTSK-QCODTGAPSA-N 2 1 362.474 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001097102122 1218689292 /nfs/dbraw/zinc/68/92/92/1218689292.db2.gz OLDIHTKKGIRTSK-QCODTGAPSA-N 2 1 362.474 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001097102122 1218689297 /nfs/dbraw/zinc/68/92/97/1218689297.db2.gz OLDIHTKKGIRTSK-QCODTGAPSA-N 2 1 362.474 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001226323272 1225840256 /nfs/dbraw/zinc/84/02/56/1225840256.db2.gz KEBLLULNFRLYBI-KLHDSHLOSA-N 2 1 374.489 0.772 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097210272 1218720920 /nfs/dbraw/zinc/72/09/20/1218720920.db2.gz SVBHCLULYVLYMA-TVFCKZIOSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)C1 ZINC001097210272 1218720929 /nfs/dbraw/zinc/72/09/29/1218720929.db2.gz SVBHCLULYVLYMA-TVFCKZIOSA-N 2 1 360.506 0.978 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)C1 ZINC001097210272 1218720936 /nfs/dbraw/zinc/72/09/36/1218720936.db2.gz SVBHCLULYVLYMA-TVFCKZIOSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854687 1218853315 /nfs/dbraw/zinc/85/33/15/1218853315.db2.gz PWCQUIMUPBQVFE-LIRZEXBASA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854687 1218853317 /nfs/dbraw/zinc/85/33/17/1218853317.db2.gz PWCQUIMUPBQVFE-LIRZEXBASA-N 2 1 358.486 1.000 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226765869 1225854321 /nfs/dbraw/zinc/85/43/21/1225854321.db2.gz GASDCNMOFDHMAQ-RRFJBIMHSA-N 2 1 367.494 0.461 20 0 FCADMP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)nc1=O ZINC001226889723 1225857212 /nfs/dbraw/zinc/85/72/12/1225857212.db2.gz BFBRVOIZLBBKRM-RBSFLKMASA-N 2 1 364.494 0.500 20 0 FCADMP CC[C@H](OC)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055539318 1219072824 /nfs/dbraw/zinc/07/28/24/1219072824.db2.gz LHMRDXHVPHCZBZ-OIISXLGYSA-N 2 1 368.522 0.448 20 0 FCADMP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccn1 ZINC001277179860 1225863211 /nfs/dbraw/zinc/86/32/11/1225863211.db2.gz SPBZVJGQJGBTCD-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccn1 ZINC001277179860 1225863213 /nfs/dbraw/zinc/86/32/13/1225863213.db2.gz SPBZVJGQJGBTCD-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(C)(C)O)CC2)CC[N@H+]1C ZINC001055583674 1219087959 /nfs/dbraw/zinc/08/79/59/1219087959.db2.gz XQTBKVVQBYVGNX-GDBMZVCRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cn[nH]c3)CC2)CC[N@H+]1C ZINC001055583440 1219088303 /nfs/dbraw/zinc/08/83/03/1219088303.db2.gz NWPZBMLZGMLZCE-CZUORRHYSA-N 2 1 362.478 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccoc3)CC2)CC[N@H+]1C ZINC001055583557 1219088742 /nfs/dbraw/zinc/08/87/42/1219088742.db2.gz SCOUMPAEYQBDQL-RHSMWYFYSA-N 2 1 362.474 0.930 20 0 FCADMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1)[NH+](C)C ZINC001055594050 1219093272 /nfs/dbraw/zinc/09/32/72/1219093272.db2.gz FGLZYGRWNNCRAP-OIISXLGYSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001055602114 1219096716 /nfs/dbraw/zinc/09/67/16/1219096716.db2.gz PRGLRPNUGNLVET-QOKNQOGYSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804049243 1219102294 /nfs/dbraw/zinc/10/22/94/1219102294.db2.gz CAQCTDQGYQBSKY-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070098903 1219171540 /nfs/dbraw/zinc/17/15/40/1219171540.db2.gz YNADMHNTZCIHPY-BBWFWOEESA-N 2 1 362.478 0.142 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070098903 1219171543 /nfs/dbraw/zinc/17/15/43/1219171543.db2.gz YNADMHNTZCIHPY-BBWFWOEESA-N 2 1 362.478 0.142 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100243 1219174381 /nfs/dbraw/zinc/17/43/81/1219174381.db2.gz LMKCFOKYDLTXPW-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100243 1219174384 /nfs/dbraw/zinc/17/43/84/1219174384.db2.gz LMKCFOKYDLTXPW-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100243 1219174388 /nfs/dbraw/zinc/17/43/88/1219174388.db2.gz LMKCFOKYDLTXPW-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100243 1219174393 /nfs/dbraw/zinc/17/43/93/1219174393.db2.gz LMKCFOKYDLTXPW-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCOCC2)CC[N@H+]1C ZINC001070133652 1219210152 /nfs/dbraw/zinc/21/01/52/1219210152.db2.gz JMCPWKXHDLDRTL-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070133652 1219210160 /nfs/dbraw/zinc/21/01/60/1219210160.db2.gz JMCPWKXHDLDRTL-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCOCC2)CC[NH+]1C ZINC001070133652 1219210163 /nfs/dbraw/zinc/21/01/63/1219210163.db2.gz JMCPWKXHDLDRTL-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227544192 1225878279 /nfs/dbraw/zinc/87/82/79/1225878279.db2.gz VMFLVFZFFCBCPK-ARFHVFGLSA-N 2 1 364.490 0.786 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217601 1219299724 /nfs/dbraw/zinc/29/97/24/1219299724.db2.gz KBYSOJNHDYLZIO-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217601 1219299729 /nfs/dbraw/zinc/29/97/29/1219299729.db2.gz KBYSOJNHDYLZIO-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070219802 1219302103 /nfs/dbraw/zinc/30/21/03/1219302103.db2.gz LAHJZBVSXBIZBQ-SQNIBIBYSA-N 2 1 369.473 0.699 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)CC2 ZINC001070260390 1219330504 /nfs/dbraw/zinc/33/05/04/1219330504.db2.gz HBCPVXMKPSRCQP-OIISXLGYSA-N 2 1 357.462 0.796 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070287227 1219351091 /nfs/dbraw/zinc/35/10/91/1219351091.db2.gz SXICDANZQUGIFJ-ZNMIVQPWSA-N 2 1 361.450 0.021 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC2CC(C)C2)[C@@H](n2ccnn2)C1 ZINC001070328143 1219379153 /nfs/dbraw/zinc/37/91/53/1219379153.db2.gz PREXLHDWDQERMH-BNICSPFPSA-N 2 1 357.462 0.871 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2CC)n1 ZINC001070357333 1219395237 /nfs/dbraw/zinc/39/52/37/1219395237.db2.gz IJUOAXVDVWSZTC-ZNMIVQPWSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)[nH]1 ZINC001070357333 1219395241 /nfs/dbraw/zinc/39/52/41/1219395241.db2.gz IJUOAXVDVWSZTC-ZNMIVQPWSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2CC)[nH]1 ZINC001070357333 1219395245 /nfs/dbraw/zinc/39/52/45/1219395245.db2.gz IJUOAXVDVWSZTC-ZNMIVQPWSA-N 2 1 364.494 0.777 20 0 FCADMP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382549 1219407131 /nfs/dbraw/zinc/40/71/31/1219407131.db2.gz FJSPABDYHDDXIC-NUJGCVRESA-N 2 1 366.506 0.060 20 0 FCADMP COCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412570 1219410104 /nfs/dbraw/zinc/41/01/04/1219410104.db2.gz DQZDISOWJDWSDM-IJEWVQPXSA-N 2 1 365.478 0.181 20 0 FCADMP COCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412570 1219410108 /nfs/dbraw/zinc/41/01/08/1219410108.db2.gz DQZDISOWJDWSDM-IJEWVQPXSA-N 2 1 365.478 0.181 20 0 FCADMP COCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412570 1219410110 /nfs/dbraw/zinc/41/01/10/1219410110.db2.gz DQZDISOWJDWSDM-IJEWVQPXSA-N 2 1 365.478 0.181 20 0 FCADMP COCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412570 1219410114 /nfs/dbraw/zinc/41/01/14/1219410114.db2.gz DQZDISOWJDWSDM-IJEWVQPXSA-N 2 1 365.478 0.181 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070563927 1219470878 /nfs/dbraw/zinc/47/08/78/1219470878.db2.gz LYLRUUHUROWKSJ-SOLBZPMBSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070565079 1219471501 /nfs/dbraw/zinc/47/15/01/1219471501.db2.gz DCFGPCBXHIEEBJ-DOTOQJQBSA-N 2 1 371.489 0.334 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCO ZINC001070655557 1219510332 /nfs/dbraw/zinc/51/03/32/1219510332.db2.gz ROMFJVNYTLQUJU-KFWWJZLASA-N 2 1 358.446 0.071 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670184 1219517604 /nfs/dbraw/zinc/51/76/04/1219517604.db2.gz CCIQYJHIVDSRQX-DVLQGMHPSA-N 2 1 359.474 0.187 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719319 1219541359 /nfs/dbraw/zinc/54/13/59/1219541359.db2.gz ZKUXISFJFMYVJX-DJIMGWMZSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001070721778 1219542724 /nfs/dbraw/zinc/54/27/24/1219542724.db2.gz ABDCMDQOUNSDMU-ZHALLVOQSA-N 2 1 371.485 0.599 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913593 1219566921 /nfs/dbraw/zinc/56/69/21/1219566921.db2.gz QTISRBKLDVAQBZ-OAGGEKHMSA-N 2 1 364.490 0.985 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001070916166 1219570801 /nfs/dbraw/zinc/57/08/01/1219570801.db2.gz DOFDMGIKFCTKOK-XHSDSOJGSA-N 2 1 364.490 0.987 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001070916166 1219570803 /nfs/dbraw/zinc/57/08/03/1219570803.db2.gz DOFDMGIKFCTKOK-XHSDSOJGSA-N 2 1 364.490 0.987 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917815 1219572557 /nfs/dbraw/zinc/57/25/57/1219572557.db2.gz KXPQXPFJEUCENH-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001070924828 1219582686 /nfs/dbraw/zinc/58/26/86/1219582686.db2.gz UUQVINPPBGJULF-BBWFWOEESA-N 2 1 364.490 0.988 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001070924828 1219582688 /nfs/dbraw/zinc/58/26/88/1219582688.db2.gz UUQVINPPBGJULF-BBWFWOEESA-N 2 1 364.490 0.988 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071061266 1219597352 /nfs/dbraw/zinc/59/73/52/1219597352.db2.gz VPWZGXJBTCCMAK-QRVBRYPASA-N 2 1 367.534 0.942 20 0 FCADMP COc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)nn1 ZINC001072751912 1219621692 /nfs/dbraw/zinc/62/16/92/1219621692.db2.gz KUGKVMONOFWFTP-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)nn1 ZINC001072751912 1219621695 /nfs/dbraw/zinc/62/16/95/1219621695.db2.gz KUGKVMONOFWFTP-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)nn1 ZINC001072751912 1219621699 /nfs/dbraw/zinc/62/16/99/1219621699.db2.gz KUGKVMONOFWFTP-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)nn1 ZINC001072751912 1219621700 /nfs/dbraw/zinc/62/17/00/1219621700.db2.gz KUGKVMONOFWFTP-GDBMZVCRSA-N 2 1 359.474 0.860 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cncn3C)CCCO2)CC[N@@H+]1C ZINC001073605793 1219671958 /nfs/dbraw/zinc/67/19/58/1219671958.db2.gz VDRMXWLFJZIPCZ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cncn3C)CCCO2)CC[N@H+]1C ZINC001073605793 1219671959 /nfs/dbraw/zinc/67/19/59/1219671959.db2.gz VDRMXWLFJZIPCZ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)CCCO2)CC[NH+]1C ZINC001073605793 1219671963 /nfs/dbraw/zinc/67/19/63/1219671963.db2.gz VDRMXWLFJZIPCZ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)CCCO2)CC[NH+]1C ZINC001073605793 1219671966 /nfs/dbraw/zinc/67/19/66/1219671966.db2.gz VDRMXWLFJZIPCZ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3cncn3C)CCCO2)CC[N@@H+]1C ZINC001073605794 1219672185 /nfs/dbraw/zinc/67/21/85/1219672185.db2.gz VDRMXWLFJZIPCZ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3cncn3C)CCCO2)CC[N@H+]1C ZINC001073605794 1219672189 /nfs/dbraw/zinc/67/21/89/1219672189.db2.gz VDRMXWLFJZIPCZ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3cncn3C)CCCO2)CC[NH+]1C ZINC001073605794 1219672192 /nfs/dbraw/zinc/67/21/92/1219672192.db2.gz VDRMXWLFJZIPCZ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3cncn3C)CCCO2)CC[NH+]1C ZINC001073605794 1219672194 /nfs/dbraw/zinc/67/21/94/1219672194.db2.gz VDRMXWLFJZIPCZ-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCCO2)O1 ZINC001073660863 1219676250 /nfs/dbraw/zinc/67/62/50/1219676250.db2.gz QKRDOSIDHHZYGD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCCO2)O1 ZINC001073660863 1219676254 /nfs/dbraw/zinc/67/62/54/1219676254.db2.gz QKRDOSIDHHZYGD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)CCCO2)O1 ZINC001073660863 1219676258 /nfs/dbraw/zinc/67/62/58/1219676258.db2.gz QKRDOSIDHHZYGD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)CCCO2)O1 ZINC001073660863 1219676261 /nfs/dbraw/zinc/67/62/61/1219676261.db2.gz QKRDOSIDHHZYGD-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709584 1219717927 /nfs/dbraw/zinc/71/79/27/1219717927.db2.gz JDKWMCRFTHICOT-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709584 1219717932 /nfs/dbraw/zinc/71/79/32/1219717932.db2.gz JDKWMCRFTHICOT-YQFWSFKMSA-N 2 1 362.474 0.888 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001074713373 1219718006 /nfs/dbraw/zinc/71/80/06/1219718006.db2.gz SPHHMLWKNHWVBB-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001098371212 1219767980 /nfs/dbraw/zinc/76/79/80/1219767980.db2.gz LMNOEEHYIOOVMK-NVXWUHKLSA-N 2 1 361.490 0.602 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ncccn3)CC2)CC[N@H+]1C ZINC001098371212 1219767982 /nfs/dbraw/zinc/76/79/82/1219767982.db2.gz LMNOEEHYIOOVMK-NVXWUHKLSA-N 2 1 361.490 0.602 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3ncccn3)CC2)CC[NH+]1C ZINC001098371212 1219767984 /nfs/dbraw/zinc/76/79/84/1219767984.db2.gz LMNOEEHYIOOVMK-NVXWUHKLSA-N 2 1 361.490 0.602 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3ncccn3)CC2)CC[NH+]1C ZINC001098371212 1219767986 /nfs/dbraw/zinc/76/79/86/1219767986.db2.gz LMNOEEHYIOOVMK-NVXWUHKLSA-N 2 1 361.490 0.602 20 0 FCADMP CC(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685968 1219810461 /nfs/dbraw/zinc/81/04/61/1219810461.db2.gz WAVMAZVMIOIKQL-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)CC1 ZINC001099008692 1219887880 /nfs/dbraw/zinc/88/78/80/1219887880.db2.gz LHHQSQVDWDJZED-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCC2)C3)CC1 ZINC001099062839 1219898675 /nfs/dbraw/zinc/89/86/75/1219898675.db2.gz JQIOWGJYGILWRH-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001099333166 1219970139 /nfs/dbraw/zinc/97/01/39/1219970139.db2.gz PFKAZOMCTVWQMH-ZIAGYGMSSA-N 2 1 371.407 0.995 20 0 FCADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001099333318 1219970220 /nfs/dbraw/zinc/97/02/20/1219970220.db2.gz WBXATQAEVMPUSO-ZIAGYGMSSA-N 2 1 371.407 0.995 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001228604026 1225935273 /nfs/dbraw/zinc/93/52/73/1225935273.db2.gz VXTKQWLIJOGESA-USXIJHARSA-N 2 1 361.490 0.907 20 0 FCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000751052832 1220031050 /nfs/dbraw/zinc/03/10/50/1220031050.db2.gz BOTNKTNARZAGJK-UHFFFAOYSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)NC(N)=O ZINC001228647787 1225939893 /nfs/dbraw/zinc/93/98/93/1225939893.db2.gz ZJSOGNCSSWCCLB-BFHYXJOUSA-N 2 1 369.510 0.565 20 0 FCADMP CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000755745907 1220147348 /nfs/dbraw/zinc/14/73/48/1220147348.db2.gz OSLGMMPBCCGDFU-SFHVURJKSA-N 2 1 362.478 0.808 20 0 FCADMP Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000755779044 1220148209 /nfs/dbraw/zinc/14/82/09/1220148209.db2.gz HRQIQUHLPKTJSW-ROUUACIJSA-N 2 1 373.501 0.959 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172038 1220208630 /nfs/dbraw/zinc/20/86/30/1220208630.db2.gz TZTMNRBZCPMDHC-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172038 1220208633 /nfs/dbraw/zinc/20/86/33/1220208633.db2.gz TZTMNRBZCPMDHC-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172038 1220208636 /nfs/dbraw/zinc/20/86/36/1220208636.db2.gz TZTMNRBZCPMDHC-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241268 1220241495 /nfs/dbraw/zinc/24/14/95/1220241495.db2.gz YJKNUWACNZODAY-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278392 1220264486 /nfs/dbraw/zinc/26/44/86/1220264486.db2.gz HFUHCXZMSIFDEG-APWZRJJASA-N 2 1 362.518 0.779 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278422 1220264753 /nfs/dbraw/zinc/26/47/53/1220264753.db2.gz IKYWKAFPNUNMRR-LMMKCTJWSA-N 2 1 365.518 0.650 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285247 1220266896 /nfs/dbraw/zinc/26/68/96/1220266896.db2.gz URZQOGCBYOKITR-JCGVRSQUSA-N 2 1 367.494 0.080 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285247 1220266901 /nfs/dbraw/zinc/26/69/01/1220266901.db2.gz URZQOGCBYOKITR-JCGVRSQUSA-N 2 1 367.494 0.080 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285247 1220266904 /nfs/dbraw/zinc/26/69/04/1220266904.db2.gz URZQOGCBYOKITR-JCGVRSQUSA-N 2 1 367.494 0.080 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305134 1220278627 /nfs/dbraw/zinc/27/86/27/1220278627.db2.gz GTACEGKZYBHGLS-FUPNPVLKSA-N 2 1 363.502 0.666 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305134 1220278632 /nfs/dbraw/zinc/27/86/32/1220278632.db2.gz GTACEGKZYBHGLS-FUPNPVLKSA-N 2 1 363.502 0.666 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305134 1220278637 /nfs/dbraw/zinc/27/86/37/1220278637.db2.gz GTACEGKZYBHGLS-FUPNPVLKSA-N 2 1 363.502 0.666 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342866 1220295472 /nfs/dbraw/zinc/29/54/72/1220295472.db2.gz QSROHIBFOXKSQG-CLCXKQKWSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101393922 1220319584 /nfs/dbraw/zinc/31/95/84/1220319584.db2.gz LRDUTNSOYLOTRU-APWZRJJASA-N 2 1 361.490 0.840 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101393922 1220319589 /nfs/dbraw/zinc/31/95/89/1220319589.db2.gz LRDUTNSOYLOTRU-APWZRJJASA-N 2 1 361.490 0.840 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429940 1220339618 /nfs/dbraw/zinc/33/96/18/1220339618.db2.gz HKTYGJJOBFJEHN-VPWXQRGCSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429940 1220339623 /nfs/dbraw/zinc/33/96/23/1220339623.db2.gz HKTYGJJOBFJEHN-VPWXQRGCSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429940 1220339628 /nfs/dbraw/zinc/33/96/28/1220339628.db2.gz HKTYGJJOBFJEHN-VPWXQRGCSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432391 1220341251 /nfs/dbraw/zinc/34/12/51/1220341251.db2.gz PZGFCNIXUKJVNH-CLCXKQKWSA-N 2 1 366.506 0.012 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432289 1220341824 /nfs/dbraw/zinc/34/18/24/1220341824.db2.gz KQDJTNNJBAZYCE-GJYPPUQNSA-N 2 1 368.522 0.389 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440504 1220346632 /nfs/dbraw/zinc/34/66/32/1220346632.db2.gz OLNGVRWBASJZCO-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440504 1220346638 /nfs/dbraw/zinc/34/66/38/1220346638.db2.gz OLNGVRWBASJZCO-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440504 1220346641 /nfs/dbraw/zinc/34/66/41/1220346641.db2.gz OLNGVRWBASJZCO-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487050 1220370980 /nfs/dbraw/zinc/37/09/80/1220370980.db2.gz LHZKUNVYEFCEDH-VPWXQRGCSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487050 1220370983 /nfs/dbraw/zinc/37/09/83/1220370983.db2.gz LHZKUNVYEFCEDH-VPWXQRGCSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487050 1220370988 /nfs/dbraw/zinc/37/09/88/1220370988.db2.gz LHZKUNVYEFCEDH-VPWXQRGCSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487050 1220370992 /nfs/dbraw/zinc/37/09/92/1220370992.db2.gz LHZKUNVYEFCEDH-VPWXQRGCSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819555 1220409568 /nfs/dbraw/zinc/40/95/68/1220409568.db2.gz MUYBQWATYYHRBB-BFYDXBDKSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101819555 1220409569 /nfs/dbraw/zinc/40/95/69/1220409569.db2.gz MUYBQWATYYHRBB-BFYDXBDKSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101819555 1220409571 /nfs/dbraw/zinc/40/95/71/1220409571.db2.gz MUYBQWATYYHRBB-BFYDXBDKSA-N 2 1 362.474 0.674 20 0 FCADMP COCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044823 1220476159 /nfs/dbraw/zinc/47/61/59/1220476159.db2.gz GZPKFCZODQYLEH-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044823 1220476161 /nfs/dbraw/zinc/47/61/61/1220476161.db2.gz GZPKFCZODQYLEH-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045137 1220476491 /nfs/dbraw/zinc/47/64/91/1220476491.db2.gz SSBJUZHUIJEXGE-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045137 1220476495 /nfs/dbraw/zinc/47/64/95/1220476495.db2.gz SSBJUZHUIJEXGE-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045137 1220476496 /nfs/dbraw/zinc/47/64/96/1220476496.db2.gz SSBJUZHUIJEXGE-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047768 1220476784 /nfs/dbraw/zinc/47/67/84/1220476784.db2.gz SBLUYGBGIQIZLY-QGPMSJSTSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047751 1220477224 /nfs/dbraw/zinc/47/72/24/1220477224.db2.gz RUZGKKUNPBDLDU-XPKDYRNWSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047751 1220477226 /nfs/dbraw/zinc/47/72/26/1220477226.db2.gz RUZGKKUNPBDLDU-XPKDYRNWSA-N 2 1 364.494 0.660 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078984 1220489147 /nfs/dbraw/zinc/48/91/47/1220489147.db2.gz RHHXEJWBQJZAFH-QBPKDAKJSA-N 2 1 368.522 0.256 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078984 1220489152 /nfs/dbraw/zinc/48/91/52/1220489152.db2.gz RHHXEJWBQJZAFH-QBPKDAKJSA-N 2 1 368.522 0.256 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078984 1220489155 /nfs/dbraw/zinc/48/91/55/1220489155.db2.gz RHHXEJWBQJZAFH-QBPKDAKJSA-N 2 1 368.522 0.256 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102078984 1220489158 /nfs/dbraw/zinc/48/91/58/1220489158.db2.gz RHHXEJWBQJZAFH-QBPKDAKJSA-N 2 1 368.522 0.256 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109472 1220501063 /nfs/dbraw/zinc/50/10/63/1220501063.db2.gz LVVUQOMKPLMVIH-HUUCEWRRSA-N 2 1 368.478 0.697 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109472 1220501071 /nfs/dbraw/zinc/50/10/71/1220501071.db2.gz LVVUQOMKPLMVIH-HUUCEWRRSA-N 2 1 368.478 0.697 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001102157413 1220527195 /nfs/dbraw/zinc/52/71/95/1220527195.db2.gz IFHIXRKRQBHBJG-BMFZPTHFSA-N 2 1 357.462 0.655 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001102157413 1220527201 /nfs/dbraw/zinc/52/72/01/1220527201.db2.gz IFHIXRKRQBHBJG-BMFZPTHFSA-N 2 1 357.462 0.655 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1)C1CC1 ZINC001102157748 1220530570 /nfs/dbraw/zinc/53/05/70/1220530570.db2.gz OSKKZLVBDFOMIO-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1)C1CC1 ZINC001102157748 1220530574 /nfs/dbraw/zinc/53/05/74/1220530574.db2.gz OSKKZLVBDFOMIO-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214903 1220557830 /nfs/dbraw/zinc/55/78/30/1220557830.db2.gz FWRKRFKABCPJHF-KFWWJZLASA-N 2 1 364.490 0.350 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273554 1220569270 /nfs/dbraw/zinc/56/92/70/1220569270.db2.gz GGLUXBGVYNPDDE-KURKYZTESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273554 1220569274 /nfs/dbraw/zinc/56/92/74/1220569274.db2.gz GGLUXBGVYNPDDE-KURKYZTESA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273554 1220569278 /nfs/dbraw/zinc/56/92/78/1220569278.db2.gz GGLUXBGVYNPDDE-KURKYZTESA-N 2 1 371.522 0.443 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273514 1220569778 /nfs/dbraw/zinc/56/97/78/1220569778.db2.gz FCWMURYRWJZRJQ-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273514 1220569782 /nfs/dbraw/zinc/56/97/82/1220569782.db2.gz FCWMURYRWJZRJQ-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273514 1220569789 /nfs/dbraw/zinc/56/97/89/1220569789.db2.gz FCWMURYRWJZRJQ-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001102285091 1220572348 /nfs/dbraw/zinc/57/23/48/1220572348.db2.gz AJHSYQFBRUPUCN-HYVNUMGLSA-N 2 1 364.490 0.447 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001102285091 1220572351 /nfs/dbraw/zinc/57/23/51/1220572351.db2.gz AJHSYQFBRUPUCN-HYVNUMGLSA-N 2 1 364.490 0.447 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288620 1220575477 /nfs/dbraw/zinc/57/54/77/1220575477.db2.gz MYCFZQNWWGUIPG-HZPDHXFCSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294442 1220577394 /nfs/dbraw/zinc/57/73/94/1220577394.db2.gz YMIOKBITBQQGDH-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320768 1220582108 /nfs/dbraw/zinc/58/21/08/1220582108.db2.gz SHHDCONOSIJBID-BZUAXINKSA-N 2 1 364.490 0.920 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320494 1220582808 /nfs/dbraw/zinc/58/28/08/1220582808.db2.gz FMAGUQBAPPPBAN-IUODEOHRSA-N 2 1 364.494 0.601 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320494 1220582818 /nfs/dbraw/zinc/58/28/18/1220582818.db2.gz FMAGUQBAPPPBAN-IUODEOHRSA-N 2 1 364.494 0.601 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)on1 ZINC001102320726 1220583206 /nfs/dbraw/zinc/58/32/06/1220583206.db2.gz QETFKMKYKNDKCW-VHDGCEQUSA-N 2 1 365.478 0.946 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)on1 ZINC001102320726 1220583215 /nfs/dbraw/zinc/58/32/15/1220583215.db2.gz QETFKMKYKNDKCW-VHDGCEQUSA-N 2 1 365.478 0.946 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370157 1220595382 /nfs/dbraw/zinc/59/53/82/1220595382.db2.gz SLAPFRQWLCUPAY-LZLYRXPVSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370157 1220595390 /nfs/dbraw/zinc/59/53/90/1220595390.db2.gz SLAPFRQWLCUPAY-LZLYRXPVSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370157 1220595398 /nfs/dbraw/zinc/59/53/98/1220595398.db2.gz SLAPFRQWLCUPAY-LZLYRXPVSA-N 2 1 368.522 0.165 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102369855 1220595532 /nfs/dbraw/zinc/59/55/32/1220595532.db2.gz ITNPRNGHTHGJDC-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102369855 1220595536 /nfs/dbraw/zinc/59/55/36/1220595536.db2.gz ITNPRNGHTHGJDC-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368526 1220597449 /nfs/dbraw/zinc/59/74/49/1220597449.db2.gz YCQIFWMEXKQHJG-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368526 1220597456 /nfs/dbraw/zinc/59/74/56/1220597456.db2.gz YCQIFWMEXKQHJG-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368526 1220597466 /nfs/dbraw/zinc/59/74/66/1220597466.db2.gz YCQIFWMEXKQHJG-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)C(C)C ZINC001102472012 1220641555 /nfs/dbraw/zinc/64/15/55/1220641555.db2.gz CSYSNZQSMXBTAZ-FMKPAKJESA-N 2 1 369.510 0.232 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229134547 1225982321 /nfs/dbraw/zinc/98/23/21/1225982321.db2.gz BZDMMBGPWXBNPU-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229135887 1225982407 /nfs/dbraw/zinc/98/24/07/1225982407.db2.gz SDSXCENYWMPAPH-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102510969 1220670573 /nfs/dbraw/zinc/67/05/73/1220670573.db2.gz DBOGOIBUAVJYQT-NVXWUHKLSA-N 2 1 368.522 0.117 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513698 1220672135 /nfs/dbraw/zinc/67/21/35/1220672135.db2.gz XOSWKSSXNJQJRF-HZPDHXFCSA-N 2 1 370.538 0.411 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102513861 1220672695 /nfs/dbraw/zinc/67/26/95/1220672695.db2.gz DKZQTFNLTFJUCE-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001102514393 1220673210 /nfs/dbraw/zinc/67/32/10/1220673210.db2.gz WASFCVKADITCJG-ZTFGCOKTSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001102514393 1220673214 /nfs/dbraw/zinc/67/32/14/1220673214.db2.gz WASFCVKADITCJG-ZTFGCOKTSA-N 2 1 362.522 0.921 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001102514393 1220673218 /nfs/dbraw/zinc/67/32/18/1220673218.db2.gz WASFCVKADITCJG-ZTFGCOKTSA-N 2 1 362.522 0.921 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514399 1220673292 /nfs/dbraw/zinc/67/32/92/1220673292.db2.gz WCPIHGIKIZPSEU-KZNAEPCWSA-N 2 1 367.534 0.800 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514141 1220673303 /nfs/dbraw/zinc/67/33/03/1220673303.db2.gz OHCFCZLFFOLPDO-BFYDXBDKSA-N 2 1 362.518 0.681 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524427 1220680516 /nfs/dbraw/zinc/68/05/16/1220680516.db2.gz FCAVXQOZNCKCOV-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524427 1220680520 /nfs/dbraw/zinc/68/05/20/1220680520.db2.gz FCAVXQOZNCKCOV-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102524427 1220680522 /nfs/dbraw/zinc/68/05/22/1220680522.db2.gz FCAVXQOZNCKCOV-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102525696 1220681504 /nfs/dbraw/zinc/68/15/04/1220681504.db2.gz QBRUVERVJCQEEU-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102525696 1220681510 /nfs/dbraw/zinc/68/15/10/1220681510.db2.gz QBRUVERVJCQEEU-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102525696 1220681512 /nfs/dbraw/zinc/68/15/12/1220681512.db2.gz QBRUVERVJCQEEU-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102579071 1220701320 /nfs/dbraw/zinc/70/13/20/1220701320.db2.gz HDVLUUFXNPBANZ-DJIMGWMZSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102579071 1220701325 /nfs/dbraw/zinc/70/13/25/1220701325.db2.gz HDVLUUFXNPBANZ-DJIMGWMZSA-N 2 1 361.490 0.885 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580837 1220702768 /nfs/dbraw/zinc/70/27/68/1220702768.db2.gz NLUZLAUKDLCBCC-RHSMWYFYSA-N 2 1 365.478 0.028 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580837 1220702776 /nfs/dbraw/zinc/70/27/76/1220702776.db2.gz NLUZLAUKDLCBCC-RHSMWYFYSA-N 2 1 365.478 0.028 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580996 1220703236 /nfs/dbraw/zinc/70/32/36/1220703236.db2.gz UYQTVLYINZQPQH-BRWVUGGUSA-N 2 1 368.522 0.117 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580284 1220704275 /nfs/dbraw/zinc/70/42/75/1220704275.db2.gz ORXIARYPMWVWAQ-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588525 1220712042 /nfs/dbraw/zinc/71/20/42/1220712042.db2.gz CXVPMCFFIZWWRV-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102588525 1220712049 /nfs/dbraw/zinc/71/20/49/1220712049.db2.gz CXVPMCFFIZWWRV-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102588525 1220712058 /nfs/dbraw/zinc/71/20/58/1220712058.db2.gz CXVPMCFFIZWWRV-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102588525 1220712066 /nfs/dbraw/zinc/71/20/66/1220712066.db2.gz CXVPMCFFIZWWRV-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102601021 1220723463 /nfs/dbraw/zinc/72/34/63/1220723463.db2.gz HBBYJSFDOIHXQV-HZPDHXFCSA-N 2 1 364.490 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102601021 1220723467 /nfs/dbraw/zinc/72/34/67/1220723467.db2.gz HBBYJSFDOIHXQV-HZPDHXFCSA-N 2 1 364.490 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102601021 1220723474 /nfs/dbraw/zinc/72/34/74/1220723474.db2.gz HBBYJSFDOIHXQV-HZPDHXFCSA-N 2 1 364.490 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993966 1220817524 /nfs/dbraw/zinc/81/75/24/1220817524.db2.gz NQYKESYUBNUIGG-QGPMSJSTSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993601 1220817762 /nfs/dbraw/zinc/81/77/62/1220817762.db2.gz CGHAPPLAYAQCBG-KYJSFNMBSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083956 1220831071 /nfs/dbraw/zinc/83/10/71/1220831071.db2.gz QITBUNIUYUAFOJ-RBSFLKMASA-N 2 1 364.490 0.350 20 0 FCADMP COCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249903 1220856714 /nfs/dbraw/zinc/85/67/14/1220856714.db2.gz XBLDOZZNOKJXMF-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP COCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001103249903 1220856715 /nfs/dbraw/zinc/85/67/15/1220856715.db2.gz XBLDOZZNOKJXMF-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP COCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001103249903 1220856716 /nfs/dbraw/zinc/85/67/16/1220856716.db2.gz XBLDOZZNOKJXMF-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001103249420 1220856877 /nfs/dbraw/zinc/85/68/77/1220856877.db2.gz HFVIXBVOWJCMKZ-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001103249420 1220856881 /nfs/dbraw/zinc/85/68/81/1220856881.db2.gz HFVIXBVOWJCMKZ-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001103249420 1220856885 /nfs/dbraw/zinc/85/68/85/1220856885.db2.gz HFVIXBVOWJCMKZ-QUJXQBBWSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398123 1220877009 /nfs/dbraw/zinc/87/70/09/1220877009.db2.gz DLNIISMYUHAVSG-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001103448251 1220884677 /nfs/dbraw/zinc/88/46/77/1220884677.db2.gz CSSUFHUWQJECRL-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537090 1220897228 /nfs/dbraw/zinc/89/72/28/1220897228.db2.gz RNIMFEOFOQVQHO-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537090 1220897230 /nfs/dbraw/zinc/89/72/30/1220897230.db2.gz RNIMFEOFOQVQHO-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583244 1220907308 /nfs/dbraw/zinc/90/73/08/1220907308.db2.gz OFKFKSJUDCGQGT-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583244 1220907315 /nfs/dbraw/zinc/90/73/15/1220907315.db2.gz OFKFKSJUDCGQGT-HUUCEWRRSA-N 2 1 370.457 0.701 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646965 1220926939 /nfs/dbraw/zinc/92/69/39/1220926939.db2.gz NTLMJLFPXAUIOB-IAGOWNOFSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647130 1220927156 /nfs/dbraw/zinc/92/71/56/1220927156.db2.gz VVWOYYGEVAKWSR-NVXWUHKLSA-N 2 1 362.518 0.683 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646682 1220927511 /nfs/dbraw/zinc/92/75/11/1220927511.db2.gz FKXDCAHJWMBLIT-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103662807 1220932826 /nfs/dbraw/zinc/93/28/26/1220932826.db2.gz SBSJIZJTNFECHK-HUUCEWRRSA-N 2 1 366.510 0.415 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103662807 1220932829 /nfs/dbraw/zinc/93/28/29/1220932829.db2.gz SBSJIZJTNFECHK-HUUCEWRRSA-N 2 1 366.510 0.415 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103662807 1220932833 /nfs/dbraw/zinc/93/28/33/1220932833.db2.gz SBSJIZJTNFECHK-HUUCEWRRSA-N 2 1 366.510 0.415 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001103722266 1220952345 /nfs/dbraw/zinc/95/23/45/1220952345.db2.gz DYIUKYQMNRLQMO-HUUCEWRRSA-N 2 1 365.478 0.886 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)n1 ZINC001103722266 1220952347 /nfs/dbraw/zinc/95/23/47/1220952347.db2.gz DYIUKYQMNRLQMO-HUUCEWRRSA-N 2 1 365.478 0.886 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104032249 1221000597 /nfs/dbraw/zinc/00/05/97/1221000597.db2.gz LTLLSSXRFOOCDZ-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104032249 1221000601 /nfs/dbraw/zinc/00/06/01/1221000601.db2.gz LTLLSSXRFOOCDZ-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034103 1221001079 /nfs/dbraw/zinc/00/10/79/1221001079.db2.gz SGQZCDZPOBGXOO-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034103 1221001083 /nfs/dbraw/zinc/00/10/83/1221001083.db2.gz SGQZCDZPOBGXOO-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1)c1ccccc1 ZINC000781997494 1221120804 /nfs/dbraw/zinc/12/08/04/1221120804.db2.gz CHTQHCKOLHSBOW-INIZCTEOSA-N 2 1 360.458 0.980 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCC(=O)NC2=O)C3)CC1 ZINC001111855704 1221137279 /nfs/dbraw/zinc/13/72/79/1221137279.db2.gz JBAIWYAGEUVBIQ-NJSLBKSFSA-N 2 1 362.474 0.104 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001111853406 1221137963 /nfs/dbraw/zinc/13/79/63/1221137963.db2.gz XATSQPSUJXBVPT-YWZLYKJASA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111870734 1221143704 /nfs/dbraw/zinc/14/37/04/1221143704.db2.gz LVZUYBZLORTVED-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111870734 1221143708 /nfs/dbraw/zinc/14/37/08/1221143708.db2.gz LVZUYBZLORTVED-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111870734 1221143713 /nfs/dbraw/zinc/14/37/13/1221143713.db2.gz LVZUYBZLORTVED-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCOCC1)C2 ZINC001111952713 1221183158 /nfs/dbraw/zinc/18/31/58/1221183158.db2.gz WWZLEUYLNXMSAI-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC001111952713 1221183163 /nfs/dbraw/zinc/18/31/63/1221183163.db2.gz WWZLEUYLNXMSAI-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001111952713 1221183166 /nfs/dbraw/zinc/18/31/66/1221183166.db2.gz WWZLEUYLNXMSAI-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004649 1221198643 /nfs/dbraw/zinc/19/86/43/1221198643.db2.gz KYFRYPMYHQWKSU-KSSFIOAISA-N 2 1 365.478 0.028 20 0 FCADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004649 1221198645 /nfs/dbraw/zinc/19/86/45/1221198645.db2.gz KYFRYPMYHQWKSU-KSSFIOAISA-N 2 1 365.478 0.028 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009667 1221199450 /nfs/dbraw/zinc/19/94/50/1221199450.db2.gz OLBYMZUTCSBPKF-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009667 1221199451 /nfs/dbraw/zinc/19/94/51/1221199451.db2.gz OLBYMZUTCSBPKF-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009667 1221199453 /nfs/dbraw/zinc/19/94/53/1221199453.db2.gz OLBYMZUTCSBPKF-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009667 1221199454 /nfs/dbraw/zinc/19/94/54/1221199454.db2.gz OLBYMZUTCSBPKF-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2ccnc2)C1 ZINC001112021412 1221203083 /nfs/dbraw/zinc/20/30/83/1221203083.db2.gz MDIAAIYYVZDOGY-YJBOKZPZSA-N 2 1 357.462 0.963 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2ccnc2)C1 ZINC001112021412 1221203086 /nfs/dbraw/zinc/20/30/86/1221203086.db2.gz MDIAAIYYVZDOGY-YJBOKZPZSA-N 2 1 357.462 0.963 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C(F)(F)F ZINC001112130989 1221210611 /nfs/dbraw/zinc/21/06/11/1221210611.db2.gz FGJQDYZBWHUDIF-CHWSQXEVSA-N 2 1 369.347 0.673 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCC3CC3)C2)C1 ZINC001112291384 1221232582 /nfs/dbraw/zinc/23/25/82/1221232582.db2.gz IOAPGKFYEMKTFS-BJLQDIEVSA-N 2 1 365.518 0.962 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCC3CC3)C2)C1 ZINC001112291384 1221232588 /nfs/dbraw/zinc/23/25/88/1221232588.db2.gz IOAPGKFYEMKTFS-BJLQDIEVSA-N 2 1 365.518 0.962 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112429350 1221257941 /nfs/dbraw/zinc/25/79/41/1221257941.db2.gz XBOYAIUHGCOMHF-SCTDSRPQSA-N 2 1 360.506 0.981 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC001116478317 1221366005 /nfs/dbraw/zinc/36/60/05/1221366005.db2.gz ZIDUUUICRBQOKN-CQSZACIVSA-N 2 1 362.478 0.546 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001229868467 1226036764 /nfs/dbraw/zinc/03/67/64/1226036764.db2.gz IFLSLVWLHLHLJH-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229860476 1226036808 /nfs/dbraw/zinc/03/68/08/1226036808.db2.gz ULVYQRMRAXYHHX-HUUCEWRRSA-N 2 1 369.510 0.581 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001117311822 1221514773 /nfs/dbraw/zinc/51/47/73/1221514773.db2.gz OXONFOVVFRGRHW-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118137403 1221717546 /nfs/dbraw/zinc/71/75/46/1221717546.db2.gz CFDHBWDIMMGHKG-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118137403 1221717550 /nfs/dbraw/zinc/71/75/50/1221717550.db2.gz CFDHBWDIMMGHKG-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119352463 1221903912 /nfs/dbraw/zinc/90/39/12/1221903912.db2.gz MBGRYUNJEFNYTB-RDJZCZTQSA-N 2 1 361.490 0.748 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001119427177 1221915823 /nfs/dbraw/zinc/91/58/23/1221915823.db2.gz HPDWSNYFHXRNEQ-BZSNNMDCSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001119427177 1221915829 /nfs/dbraw/zinc/91/58/29/1221915829.db2.gz HPDWSNYFHXRNEQ-BZSNNMDCSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119424865 1221916206 /nfs/dbraw/zinc/91/62/06/1221916206.db2.gz LHAUXQYGUDJFNP-QZTJIDSGSA-N 2 1 369.554 0.798 20 0 FCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001119429692 1221917116 /nfs/dbraw/zinc/91/71/16/1221917116.db2.gz XLMPKOVGBDXDKV-ZWKOTPCHSA-N 2 1 356.470 0.514 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC001119468814 1221920753 /nfs/dbraw/zinc/92/07/53/1221920753.db2.gz OIXDHLFMONIKQN-UHFFFAOYSA-N 2 1 365.522 0.905 20 0 FCADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)c2)CC1 ZINC001120376894 1222074236 /nfs/dbraw/zinc/07/42/36/1222074236.db2.gz NQNCBLWCBVVOFD-UXHICEINSA-N 2 1 363.502 0.426 20 0 FCADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)c2)CC1 ZINC001120376896 1222074635 /nfs/dbraw/zinc/07/46/35/1222074635.db2.gz NQNCBLWCBVVOFD-WOJBJXKFSA-N 2 1 363.502 0.426 20 0 FCADMP C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1)C(=O)N(C)C ZINC001121288610 1222160295 /nfs/dbraw/zinc/16/02/95/1222160295.db2.gz FTMJINJKMNWJSC-WFHVLEQDSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1)C(=O)N(C)C ZINC001121288610 1222160302 /nfs/dbraw/zinc/16/03/02/1222160302.db2.gz FTMJINJKMNWJSC-WFHVLEQDSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123506141 1222336507 /nfs/dbraw/zinc/33/65/07/1222336507.db2.gz VPEMAXGVQVMBHA-JQHSSLGASA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001123637559 1222345684 /nfs/dbraw/zinc/34/56/84/1222345684.db2.gz VXKYFGAMDRFBSQ-NCXUSEDFSA-N 2 1 363.550 0.392 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001123886522 1222363254 /nfs/dbraw/zinc/36/32/54/1222363254.db2.gz QPPGUNKYXKSEQI-ZWKOTPCHSA-N 2 1 369.554 0.765 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231769144 1226125420 /nfs/dbraw/zinc/12/54/20/1226125420.db2.gz ZIZZWZJAVNVXNF-SJORKVTESA-N 2 1 369.469 0.433 20 0 FCADMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231769144 1226125423 /nfs/dbraw/zinc/12/54/23/1226125423.db2.gz ZIZZWZJAVNVXNF-SJORKVTESA-N 2 1 369.469 0.433 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231769144 1226125428 /nfs/dbraw/zinc/12/54/28/1226125428.db2.gz ZIZZWZJAVNVXNF-SJORKVTESA-N 2 1 369.469 0.433 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231769144 1226125431 /nfs/dbraw/zinc/12/54/31/1226125431.db2.gz ZIZZWZJAVNVXNF-SJORKVTESA-N 2 1 369.469 0.433 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000834542264 1222578974 /nfs/dbraw/zinc/57/89/74/1222578974.db2.gz AZVBCVPINJROOJ-GASCZTMLSA-N 2 1 366.506 0.297 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000834542264 1222578978 /nfs/dbraw/zinc/57/89/78/1222578978.db2.gz AZVBCVPINJROOJ-GASCZTMLSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCN(CC(N)=O)C(C)(C)C2)CC1 ZINC001140971357 1222626227 /nfs/dbraw/zinc/62/62/27/1222626227.db2.gz RTGQQKYWAQIFEC-UHFFFAOYSA-N 2 1 359.518 0.820 20 0 FCADMP NC(=O)C[C@@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071970 1222769361 /nfs/dbraw/zinc/76/93/61/1222769361.db2.gz HKOPOQNSSZXTMX-YESZJQIVSA-N 2 1 370.453 0.258 20 0 FCADMP NC(=O)C[C@@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071970 1222769364 /nfs/dbraw/zinc/76/93/64/1222769364.db2.gz HKOPOQNSSZXTMX-YESZJQIVSA-N 2 1 370.453 0.258 20 0 FCADMP NC(=O)C[C@@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071970 1222769372 /nfs/dbraw/zinc/76/93/72/1222769372.db2.gz HKOPOQNSSZXTMX-YESZJQIVSA-N 2 1 370.453 0.258 20 0 FCADMP NC(=O)C[C@@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071970 1222769374 /nfs/dbraw/zinc/76/93/74/1222769374.db2.gz HKOPOQNSSZXTMX-YESZJQIVSA-N 2 1 370.453 0.258 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109925 1222808103 /nfs/dbraw/zinc/80/81/03/1222808103.db2.gz OIUKLAYKASSHCH-PBHICJAKSA-N 2 1 360.458 0.905 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151986 1222810248 /nfs/dbraw/zinc/81/02/48/1222810248.db2.gz PDALQLZGBFKMRO-INIZCTEOSA-N 2 1 359.474 0.635 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841227466 1222815181 /nfs/dbraw/zinc/81/51/81/1222815181.db2.gz DIUWVWKWXLNOTR-OAHLLOKOSA-N 2 1 361.490 0.881 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cn1 ZINC000842164130 1222838669 /nfs/dbraw/zinc/83/86/69/1222838669.db2.gz VEBUVBYHDLFJCM-BBRMVZONSA-N 2 1 370.457 0.920 20 0 FCADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843047565 1222857485 /nfs/dbraw/zinc/85/74/85/1222857485.db2.gz WTGOTQBPAQUFDU-INIZCTEOSA-N 2 1 360.458 0.195 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCCCCC[NH3+])cn1 ZINC000843258484 1222866721 /nfs/dbraw/zinc/86/67/21/1222866721.db2.gz GGVFTNHAUDFQFK-UHFFFAOYSA-N 2 1 358.446 0.827 20 0 FCADMP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000843265399 1222868476 /nfs/dbraw/zinc/86/84/76/1222868476.db2.gz GAJNBRPWJXSISC-QGZVFWFLSA-N 2 1 367.538 0.249 20 0 FCADMP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000843265399 1222868477 /nfs/dbraw/zinc/86/84/77/1222868477.db2.gz GAJNBRPWJXSISC-QGZVFWFLSA-N 2 1 367.538 0.249 20 0 FCADMP CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2C1=O ZINC000843364070 1222873869 /nfs/dbraw/zinc/87/38/69/1222873869.db2.gz OJGDDUANTVHROQ-UHFFFAOYSA-N 2 1 356.426 0.926 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@@H]3C[N@H+](C)CCN3C)n2c1 ZINC001150389651 1222899526 /nfs/dbraw/zinc/89/95/26/1222899526.db2.gz MTHMJLSVLNSQDY-INIZCTEOSA-N 2 1 373.505 0.719 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@@H]3C[N@@H+](C)CCN3C)n2c1 ZINC001150389651 1222899529 /nfs/dbraw/zinc/89/95/29/1222899529.db2.gz MTHMJLSVLNSQDY-INIZCTEOSA-N 2 1 373.505 0.719 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]1C2 ZINC001154632889 1223013487 /nfs/dbraw/zinc/01/34/87/1223013487.db2.gz OYBDUAMCPLJKPN-GJRWTSMGSA-N 2 1 373.457 0.148 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc3[nH]c(N)nc3c1)CC2 ZINC001156970431 1223064073 /nfs/dbraw/zinc/06/40/73/1223064073.db2.gz BGYCAXHENHBPQO-UHFFFAOYSA-N 2 1 370.457 0.962 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc3[nH]c(N)[nH+]c3c1)CC2 ZINC001156970431 1223064080 /nfs/dbraw/zinc/06/40/80/1223064080.db2.gz BGYCAXHENHBPQO-UHFFFAOYSA-N 2 1 370.457 0.962 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992451 1223064786 /nfs/dbraw/zinc/06/47/86/1223064786.db2.gz LETDHLIBCXHKTI-ZVDOUQERSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992451 1223064789 /nfs/dbraw/zinc/06/47/89/1223064789.db2.gz LETDHLIBCXHKTI-ZVDOUQERSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992451 1223064794 /nfs/dbraw/zinc/06/47/94/1223064794.db2.gz LETDHLIBCXHKTI-ZVDOUQERSA-N 2 1 373.497 0.681 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)CC1 ZINC001157848015 1223082702 /nfs/dbraw/zinc/08/27/02/1223082702.db2.gz NBOCYBBKILYKHN-UHFFFAOYSA-N 3 1 373.549 0.692 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001158403330 1223096574 /nfs/dbraw/zinc/09/65/74/1223096574.db2.gz FOXGKNSTGLSVES-DLBZAZTESA-N 2 1 361.490 0.524 20 0 FCADMP CN1CCN(c2ccc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)nn2)CC1 ZINC001158574997 1223103123 /nfs/dbraw/zinc/10/31/23/1223103123.db2.gz FKOCWBQHWGPMDF-UHFFFAOYSA-N 2 1 373.549 0.881 20 0 FCADMP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC3)cn1 ZINC001158982789 1223114865 /nfs/dbraw/zinc/11/48/65/1223114865.db2.gz MPJHBNHNMPMRFW-HNNXBMFYSA-N 2 1 361.490 0.627 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001159125113 1223117866 /nfs/dbraw/zinc/11/78/66/1223117866.db2.gz UHBFJOAYJVWDGP-LJQANCHMSA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001159125113 1223117869 /nfs/dbraw/zinc/11/78/69/1223117869.db2.gz UHBFJOAYJVWDGP-LJQANCHMSA-N 2 1 366.506 0.063 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159157801 1223119436 /nfs/dbraw/zinc/11/94/36/1223119436.db2.gz IYOFXETXEGJMBI-INIZCTEOSA-N 2 1 362.522 0.710 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21 ZINC001159424588 1223126778 /nfs/dbraw/zinc/12/67/78/1223126778.db2.gz KEYHBFJJLDAJQY-GGPKGHCWSA-N 2 1 373.501 0.177 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21 ZINC001159424588 1223126780 /nfs/dbraw/zinc/12/67/80/1223126780.db2.gz KEYHBFJJLDAJQY-GGPKGHCWSA-N 2 1 373.501 0.177 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001159472576 1223127808 /nfs/dbraw/zinc/12/78/08/1223127808.db2.gz WHRCQDKOFZNPFL-HNBVOPMISA-N 2 1 362.518 0.145 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159472864 1223127829 /nfs/dbraw/zinc/12/78/29/1223127829.db2.gz ZKWXXCMKGCMESR-ZHALLVOQSA-N 3 1 362.518 0.002 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)CC[C@@H]2C1 ZINC001159635392 1223131653 /nfs/dbraw/zinc/13/16/53/1223131653.db2.gz MUQFRIRFLWZQSA-BRWVUGGUSA-N 2 1 371.522 0.715 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667535 1223132749 /nfs/dbraw/zinc/13/27/49/1223132749.db2.gz UXMGBROWSYVKOL-QZTJIDSGSA-N 2 1 356.470 0.883 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159724628 1223135285 /nfs/dbraw/zinc/13/52/85/1223135285.db2.gz UUMDHHVWTMCXCF-AWEZNQCLSA-N 2 1 371.445 0.136 20 0 FCADMP CNC(=O)N[C@H]1CC2(CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)c2ccc(C)cc21 ZINC001159824084 1223137130 /nfs/dbraw/zinc/13/71/30/1223137130.db2.gz KDAHRJJTJWCCPZ-IRXDYDNUSA-N 2 1 373.501 0.905 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855037 1223138493 /nfs/dbraw/zinc/13/84/93/1223138493.db2.gz GZGMGNWVXZJYQX-AEFFLSMTSA-N 2 1 362.449 0.395 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160049593 1223143613 /nfs/dbraw/zinc/14/36/13/1223143613.db2.gz BGBCMTQCVFWRHN-UHFFFAOYSA-N 2 1 357.502 0.801 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(NCc3ccccc3-n3cnnn3)n2)CC1 ZINC001160221101 1223150252 /nfs/dbraw/zinc/15/02/52/1223150252.db2.gz JXXGOPOPGRXPDY-UHFFFAOYSA-N 2 1 351.418 0.992 20 0 FCADMP C[NH+]1CCN(c2ccc(-n3nc(-c4ccncc4)cc3C[NH3+])nn2)CC1 ZINC001160337606 1223155753 /nfs/dbraw/zinc/15/57/53/1223155753.db2.gz GXVYSHARYWMTAB-UHFFFAOYSA-N 2 1 350.430 0.935 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C[C@H]21 ZINC001160423943 1223159047 /nfs/dbraw/zinc/15/90/47/1223159047.db2.gz NYOXWQZPBUEWJS-WSIUPNEHSA-N 2 1 358.486 0.721 20 0 FCADMP CC1(C)C(=O)NCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160478059 1223161338 /nfs/dbraw/zinc/16/13/38/1223161338.db2.gz JFZCOILKCODHPQ-MRXNPFEDSA-N 2 1 356.470 0.445 20 0 FCADMP CC1(C)C(=O)NCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160478059 1223161342 /nfs/dbraw/zinc/16/13/42/1223161342.db2.gz JFZCOILKCODHPQ-MRXNPFEDSA-N 2 1 356.470 0.445 20 0 FCADMP CCOC(=O)c1nc2ccn(C)c2c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512927 1223163118 /nfs/dbraw/zinc/16/31/18/1223163118.db2.gz GLAYNBGOAMJFSU-GOSISDBHSA-N 2 1 358.446 0.402 20 0 FCADMP [NH3+]C[C@@]1(Nc2nc(N3CCOCC3)nc3c2CCN3)C[NH+]2CCC1CC2 ZINC001160511963 1223163420 /nfs/dbraw/zinc/16/34/20/1223163420.db2.gz QKWZFYKJAKLMMP-GOSISDBHSA-N 2 1 359.478 0.116 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566031 1223164959 /nfs/dbraw/zinc/16/49/59/1223164959.db2.gz LFZMXOJSMXIWOH-UHFFFAOYSA-N 2 1 356.474 0.549 20 0 FCADMP COC(=O)c1ccc(CN2CCN(C(=O)C[NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC001160569853 1223165557 /nfs/dbraw/zinc/16/55/57/1223165557.db2.gz VYHCLKKBMDSYJA-UHFFFAOYSA-N 2 1 374.485 0.459 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160710515 1223169098 /nfs/dbraw/zinc/16/90/98/1223169098.db2.gz OJHJNPQAUYHFKP-IBGZPJMESA-N 3 1 354.498 0.845 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160705369 1223169115 /nfs/dbraw/zinc/16/91/15/1223169115.db2.gz WKLFZQNHJIVDSL-QGZVFWFLSA-N 2 1 357.502 0.405 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160840425 1223177073 /nfs/dbraw/zinc/17/70/73/1223177073.db2.gz WDVQKMGTQNOYGX-HNNXBMFYSA-N 3 1 361.494 0.182 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2ccc(O)cc2)O1 ZINC001160857579 1223178419 /nfs/dbraw/zinc/17/84/19/1223178419.db2.gz LNKOKCSPBOOIOR-CZUORRHYSA-N 2 1 364.446 0.146 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2ccc(O)cc2)O1 ZINC001160857579 1223178420 /nfs/dbraw/zinc/17/84/20/1223178420.db2.gz LNKOKCSPBOOIOR-CZUORRHYSA-N 2 1 364.446 0.146 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4C[N@H+](C)CCN4C)n3c2)CC[NH2+]1 ZINC001161023268 1223183766 /nfs/dbraw/zinc/18/37/66/1223183766.db2.gz GMPPSDUTPJQWBU-HIFRSBDPSA-N 2 1 357.462 0.082 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4C[N@@H+](C)CCN4C)n3c2)CC[NH2+]1 ZINC001161023268 1223183769 /nfs/dbraw/zinc/18/37/69/1223183769.db2.gz GMPPSDUTPJQWBU-HIFRSBDPSA-N 2 1 357.462 0.082 20 0 FCADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371156 1223197245 /nfs/dbraw/zinc/19/72/45/1223197245.db2.gz BGTIWXUFSBMNPW-DLBZAZTESA-N 3 1 372.517 0.158 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161456507 1223199630 /nfs/dbraw/zinc/19/96/30/1223199630.db2.gz MFJDNEWAGNBNDH-UHFFFAOYSA-N 2 1 356.470 0.806 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596768 1223205722 /nfs/dbraw/zinc/20/57/22/1223205722.db2.gz AZNJCZJGIQQEPZ-GOSISDBHSA-N 2 1 357.502 0.358 20 0 FCADMP CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275506 1223212857 /nfs/dbraw/zinc/21/28/57/1223212857.db2.gz UYFWUQHQGYHIKR-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1nccc1C[NH3+] ZINC001162590869 1223218165 /nfs/dbraw/zinc/21/81/65/1223218165.db2.gz GNPXGKIIDWYXGF-CYBMUJFWSA-N 2 1 361.446 0.832 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001162734143 1223219067 /nfs/dbraw/zinc/21/90/67/1223219067.db2.gz YPIYZIPOVVSWHM-MRXNPFEDSA-N 2 1 364.494 0.772 20 0 FCADMP C[C@H]([NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001162809972 1223220179 /nfs/dbraw/zinc/22/01/79/1223220179.db2.gz ALLLWVGMNBPAAJ-LZLYRXPVSA-N 2 1 360.502 0.861 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001164575612 1223240084 /nfs/dbraw/zinc/24/00/84/1223240084.db2.gz DCJZDLUEMGAZNR-IXDOHACOSA-N 2 1 363.506 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC001164582018 1223240290 /nfs/dbraw/zinc/24/02/90/1223240290.db2.gz CFQAKWZZAQEIAO-UKRRQHHQSA-N 2 1 361.494 0.724 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC001164582386 1223240341 /nfs/dbraw/zinc/24/03/41/1223240341.db2.gz KAOBEGXAHVEFLC-QLFBSQMISA-N 2 1 363.510 0.878 20 0 FCADMP COCCn1ccc2c1nc[nH+]c2N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001165311869 1223244237 /nfs/dbraw/zinc/24/42/37/1223244237.db2.gz XSYRNMFXKBYREX-UHFFFAOYSA-N 2 1 368.445 0.768 20 0 FCADMP [NH3+]C1CCN(c2cccc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n2)CC1 ZINC001165311950 1223244439 /nfs/dbraw/zinc/24/44/39/1223244439.db2.gz YCNPZGYAKQQZQA-UHFFFAOYSA-N 2 1 368.489 0.700 20 0 FCADMP COc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206567401 1223361499 /nfs/dbraw/zinc/36/14/99/1223361499.db2.gz APZSAIGNHNLHSN-NVXWUHKLSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206567401 1223361502 /nfs/dbraw/zinc/36/15/02/1223361502.db2.gz APZSAIGNHNLHSN-NVXWUHKLSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206567401 1223361505 /nfs/dbraw/zinc/36/15/05/1223361505.db2.gz APZSAIGNHNLHSN-NVXWUHKLSA-N 2 1 362.474 0.701 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cc[nH]c(=O)c3)CC2)C1 ZINC001207121470 1223419028 /nfs/dbraw/zinc/41/90/28/1223419028.db2.gz FKBPELFTLIJOEU-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)CC[C@@H]32)cn1 ZINC001207437713 1223446495 /nfs/dbraw/zinc/44/64/95/1223446495.db2.gz XFRSCSBSRIUGCU-OKZBNKHCSA-N 2 1 361.490 0.486 20 0 FCADMP COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481657 1223449372 /nfs/dbraw/zinc/44/93/72/1223449372.db2.gz BWMSOGSXQPZKED-QGZVFWFLSA-N 2 1 363.506 0.809 20 0 FCADMP COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481657 1223449375 /nfs/dbraw/zinc/44/93/75/1223449375.db2.gz BWMSOGSXQPZKED-QGZVFWFLSA-N 2 1 363.506 0.809 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC(C)C)C[C@H]1C)[NH+](C)C ZINC001207698235 1223471967 /nfs/dbraw/zinc/47/19/67/1223471967.db2.gz WQBDCALIMBZBDR-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C)[NH+](C)C ZINC001207698235 1223471971 /nfs/dbraw/zinc/47/19/71/1223471971.db2.gz WQBDCALIMBZBDR-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706387 1223472869 /nfs/dbraw/zinc/47/28/69/1223472869.db2.gz YZGWAIFDCAPCBK-NVXWUHKLSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706387 1223472870 /nfs/dbraw/zinc/47/28/70/1223472870.db2.gz YZGWAIFDCAPCBK-NVXWUHKLSA-N 2 1 363.506 0.715 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766726 1223478227 /nfs/dbraw/zinc/47/82/27/1223478227.db2.gz FQGNXTBOXQXCAH-NVXWUHKLSA-N 2 1 361.490 0.871 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766726 1223478229 /nfs/dbraw/zinc/47/82/29/1223478229.db2.gz FQGNXTBOXQXCAH-NVXWUHKLSA-N 2 1 361.490 0.871 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784094 1223478734 /nfs/dbraw/zinc/47/87/34/1223478734.db2.gz FBDXGIHIMSOICH-BFYDXBDKSA-N 2 1 361.490 0.821 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946947 1223499007 /nfs/dbraw/zinc/49/90/07/1223499007.db2.gz SYEGTNQYLXNQAY-FRFSOERESA-N 2 1 359.430 0.325 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208427622 1223544163 /nfs/dbraw/zinc/54/41/63/1223544163.db2.gz DGMRTZKRGDUUSP-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208427622 1223544167 /nfs/dbraw/zinc/54/41/67/1223544167.db2.gz DGMRTZKRGDUUSP-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492537 1223550556 /nfs/dbraw/zinc/55/05/56/1223550556.db2.gz MWSOJTKALFIIAQ-RHSMWYFYSA-N 2 1 364.465 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492537 1223550561 /nfs/dbraw/zinc/55/05/61/1223550561.db2.gz MWSOJTKALFIIAQ-RHSMWYFYSA-N 2 1 364.465 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496216 1223551613 /nfs/dbraw/zinc/55/16/13/1223551613.db2.gz MLTWKOBGYFGJRV-NZSAHSFTSA-N 2 1 363.502 0.952 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575287 1223558970 /nfs/dbraw/zinc/55/89/70/1223558970.db2.gz MQIVPZOCIWMAHC-NXHRZFHOSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208591017 1223561538 /nfs/dbraw/zinc/56/15/38/1223561538.db2.gz NKYDNLAHCMDLKW-ARFHVFGLSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208591017 1223561541 /nfs/dbraw/zinc/56/15/41/1223561541.db2.gz NKYDNLAHCMDLKW-ARFHVFGLSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591017 1223561544 /nfs/dbraw/zinc/56/15/44/1223561544.db2.gz NKYDNLAHCMDLKW-ARFHVFGLSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591017 1223561546 /nfs/dbraw/zinc/56/15/46/1223561546.db2.gz NKYDNLAHCMDLKW-ARFHVFGLSA-N 2 1 367.538 0.862 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001208628384 1223564547 /nfs/dbraw/zinc/56/45/47/1223564547.db2.gz GGDHLIAIPFHGFC-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738868 1223574209 /nfs/dbraw/zinc/57/42/09/1223574209.db2.gz KKIGKJAXSHLRNH-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738868 1223574211 /nfs/dbraw/zinc/57/42/11/1223574211.db2.gz KKIGKJAXSHLRNH-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP COC(CN1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O)OC ZINC001276629918 1223608031 /nfs/dbraw/zinc/60/80/31/1223608031.db2.gz DOYXTASXMQNKTF-IBGZPJMESA-N 2 1 368.522 0.310 20 0 FCADMP Cc1cccc(CO[C@H]2C[C@H]3CN(CCN4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289500 1223608059 /nfs/dbraw/zinc/60/80/59/1223608059.db2.gz DKUFSPBFDBKHBE-PMACEKPBSA-N 2 1 360.502 0.997 20 0 FCADMP COCCOCN1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276630212 1223609599 /nfs/dbraw/zinc/60/95/99/1223609599.db2.gz MKPBRWWARAPFQS-IBGZPJMESA-N 2 1 368.522 0.311 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506602 1223626478 /nfs/dbraw/zinc/62/64/78/1223626478.db2.gz NFXAJEBUJZFNLS-CRAIPNDOSA-N 2 1 363.506 0.659 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506602 1223626481 /nfs/dbraw/zinc/62/64/81/1223626481.db2.gz NFXAJEBUJZFNLS-CRAIPNDOSA-N 2 1 363.506 0.659 20 0 FCADMP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514923 1223627039 /nfs/dbraw/zinc/62/70/39/1223627039.db2.gz QTNKOWVLFUEXHN-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514923 1223627040 /nfs/dbraw/zinc/62/70/40/1223627040.db2.gz QTNKOWVLFUEXHN-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836162 1223652651 /nfs/dbraw/zinc/65/26/51/1223652651.db2.gz IAYIYOSPSHRMAE-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836162 1223652653 /nfs/dbraw/zinc/65/26/53/1223652653.db2.gz IAYIYOSPSHRMAE-NVXWUHKLSA-N 2 1 368.522 0.401 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836409 1223652744 /nfs/dbraw/zinc/65/27/44/1223652744.db2.gz MFYOYNCWZVGWGZ-RHSMWYFYSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836409 1223652747 /nfs/dbraw/zinc/65/27/47/1223652747.db2.gz MFYOYNCWZVGWGZ-RHSMWYFYSA-N 2 1 361.490 0.832 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2C)CC1 ZINC001209958121 1223658785 /nfs/dbraw/zinc/65/87/85/1223658785.db2.gz UEDDLIZLYNNAKR-UMVBOHGHSA-N 2 1 367.494 0.127 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2C)CC1 ZINC001209958121 1223658788 /nfs/dbraw/zinc/65/87/88/1223658788.db2.gz UEDDLIZLYNNAKR-UMVBOHGHSA-N 2 1 367.494 0.127 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040399 1223663107 /nfs/dbraw/zinc/66/31/07/1223663107.db2.gz GKRGAWMXEUJOIZ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040399 1223663108 /nfs/dbraw/zinc/66/31/08/1223663108.db2.gz GKRGAWMXEUJOIZ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040399 1223663109 /nfs/dbraw/zinc/66/31/09/1223663109.db2.gz GKRGAWMXEUJOIZ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210040399 1223663110 /nfs/dbraw/zinc/66/31/10/1223663110.db2.gz GKRGAWMXEUJOIZ-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315438 1223682092 /nfs/dbraw/zinc/68/20/92/1223682092.db2.gz PHXDKTLHCCKUMO-BHIYHBOVSA-N 2 1 363.502 0.605 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210485396 1223694367 /nfs/dbraw/zinc/69/43/67/1223694367.db2.gz JIUPVEIWGGMKNT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210485396 1223694369 /nfs/dbraw/zinc/69/43/69/1223694369.db2.gz JIUPVEIWGGMKNT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210485396 1223694372 /nfs/dbraw/zinc/69/43/72/1223694372.db2.gz JIUPVEIWGGMKNT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210485396 1223694375 /nfs/dbraw/zinc/69/43/75/1223694375.db2.gz JIUPVEIWGGMKNT-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210485395 1223694590 /nfs/dbraw/zinc/69/45/90/1223694590.db2.gz JIUPVEIWGGMKNT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210485395 1223694592 /nfs/dbraw/zinc/69/45/92/1223694592.db2.gz JIUPVEIWGGMKNT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210485395 1223694595 /nfs/dbraw/zinc/69/45/95/1223694595.db2.gz JIUPVEIWGGMKNT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210485395 1223694596 /nfs/dbraw/zinc/69/45/96/1223694596.db2.gz JIUPVEIWGGMKNT-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539043 1223696772 /nfs/dbraw/zinc/69/67/72/1223696772.db2.gz VFTPPPVIELCLIU-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539043 1223696775 /nfs/dbraw/zinc/69/67/75/1223696775.db2.gz VFTPPPVIELCLIU-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539043 1223696778 /nfs/dbraw/zinc/69/67/78/1223696778.db2.gz VFTPPPVIELCLIU-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001210539043 1223696781 /nfs/dbraw/zinc/69/67/81/1223696781.db2.gz VFTPPPVIELCLIU-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211031687 1223720148 /nfs/dbraw/zinc/72/01/48/1223720148.db2.gz KTVPBPLGMRUIHK-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211031687 1223720150 /nfs/dbraw/zinc/72/01/50/1223720150.db2.gz KTVPBPLGMRUIHK-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211031687 1223720153 /nfs/dbraw/zinc/72/01/53/1223720153.db2.gz KTVPBPLGMRUIHK-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211031687 1223720157 /nfs/dbraw/zinc/72/01/57/1223720157.db2.gz KTVPBPLGMRUIHK-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C ZINC001211045878 1223721392 /nfs/dbraw/zinc/72/13/92/1223721392.db2.gz DICRUCUAXHSMRQ-SOLBZPMBSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001211046292 1223721622 /nfs/dbraw/zinc/72/16/22/1223721622.db2.gz MGQZJPIOUVOCAC-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340250 1223787932 /nfs/dbraw/zinc/78/79/32/1223787932.db2.gz YFXSOZYNUSPYHM-HUUCEWRRSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340250 1223787937 /nfs/dbraw/zinc/78/79/37/1223787937.db2.gz YFXSOZYNUSPYHM-HUUCEWRRSA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348621 1223789477 /nfs/dbraw/zinc/78/94/77/1223789477.db2.gz PXLWWSSZIYXQLX-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348621 1223789481 /nfs/dbraw/zinc/78/94/81/1223789481.db2.gz PXLWWSSZIYXQLX-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446899 1223800056 /nfs/dbraw/zinc/80/00/56/1223800056.db2.gz YPILMUSVJARGIZ-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446899 1223800058 /nfs/dbraw/zinc/80/00/58/1223800058.db2.gz YPILMUSVJARGIZ-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446899 1223800060 /nfs/dbraw/zinc/80/00/60/1223800060.db2.gz YPILMUSVJARGIZ-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446899 1223800061 /nfs/dbraw/zinc/80/00/61/1223800061.db2.gz YPILMUSVJARGIZ-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575919 1223816371 /nfs/dbraw/zinc/81/63/71/1223816371.db2.gz ANZAUJKYUJURKX-OWCLPIDISA-N 2 1 363.462 0.066 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CCC1 ZINC001213581482 1223817650 /nfs/dbraw/zinc/81/76/50/1223817650.db2.gz YXEOIAIYXGPWED-FGTMMUONSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CCC1 ZINC001213581482 1223817654 /nfs/dbraw/zinc/81/76/54/1223817654.db2.gz YXEOIAIYXGPWED-FGTMMUONSA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213676164 1223831465 /nfs/dbraw/zinc/83/14/65/1223831465.db2.gz SVJMPDPRLOOEQP-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213676164 1223831468 /nfs/dbraw/zinc/83/14/68/1223831468.db2.gz SVJMPDPRLOOEQP-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213676164 1223831472 /nfs/dbraw/zinc/83/14/72/1223831472.db2.gz SVJMPDPRLOOEQP-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213676164 1223831473 /nfs/dbraw/zinc/83/14/73/1223831473.db2.gz SVJMPDPRLOOEQP-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCCC1 ZINC001213730174 1223840085 /nfs/dbraw/zinc/84/00/85/1223840085.db2.gz HBYSVODCLSQNBR-KZNAEPCWSA-N 2 1 371.522 0.585 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213728883 1223840135 /nfs/dbraw/zinc/84/01/35/1223840135.db2.gz XUFCCCHYMAJMTF-QZTJIDSGSA-N 2 1 365.474 0.589 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213728883 1223840137 /nfs/dbraw/zinc/84/01/37/1223840137.db2.gz XUFCCCHYMAJMTF-QZTJIDSGSA-N 2 1 365.474 0.589 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921490 1223873253 /nfs/dbraw/zinc/87/32/53/1223873253.db2.gz BLIHKQSTYMUPRQ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921490 1223873256 /nfs/dbraw/zinc/87/32/56/1223873256.db2.gz BLIHKQSTYMUPRQ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927379 1223874369 /nfs/dbraw/zinc/87/43/69/1223874369.db2.gz GLAKBPKYJDCGGO-IAGOWNOFSA-N 2 1 362.474 0.441 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927379 1223874370 /nfs/dbraw/zinc/87/43/70/1223874370.db2.gz GLAKBPKYJDCGGO-IAGOWNOFSA-N 2 1 362.474 0.441 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927379 1223874372 /nfs/dbraw/zinc/87/43/72/1223874372.db2.gz GLAKBPKYJDCGGO-IAGOWNOFSA-N 2 1 362.474 0.441 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927379 1223874374 /nfs/dbraw/zinc/87/43/74/1223874374.db2.gz GLAKBPKYJDCGGO-IAGOWNOFSA-N 2 1 362.474 0.441 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974061 1223880055 /nfs/dbraw/zinc/88/00/55/1223880055.db2.gz GJWQAEURUMCTOJ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974061 1223880057 /nfs/dbraw/zinc/88/00/57/1223880057.db2.gz GJWQAEURUMCTOJ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC001214386245 1223906866 /nfs/dbraw/zinc/90/68/66/1223906866.db2.gz FKYYJKCQDWRJLI-QRQLOZEOSA-N 2 1 361.486 0.970 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC001214386245 1223906867 /nfs/dbraw/zinc/90/68/67/1223906867.db2.gz FKYYJKCQDWRJLI-QRQLOZEOSA-N 2 1 361.486 0.970 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC001214386242 1223907011 /nfs/dbraw/zinc/90/70/11/1223907011.db2.gz FKYYJKCQDWRJLI-BHIYHBOVSA-N 2 1 361.486 0.970 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC001214386242 1223907012 /nfs/dbraw/zinc/90/70/12/1223907012.db2.gz FKYYJKCQDWRJLI-BHIYHBOVSA-N 2 1 361.486 0.970 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214598698 1223924627 /nfs/dbraw/zinc/92/46/27/1223924627.db2.gz ZQQNMTWZNUISPT-ZACQAIPSSA-N 2 1 368.522 0.448 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166320 1248712923 /nfs/dbraw/zinc/71/29/23/1248712923.db2.gz KCUVQOVVYAXOOD-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166320 1248712928 /nfs/dbraw/zinc/71/29/28/1248712928.db2.gz KCUVQOVVYAXOOD-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166320 1248712933 /nfs/dbraw/zinc/71/29/33/1248712933.db2.gz KCUVQOVVYAXOOD-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166320 1248712937 /nfs/dbraw/zinc/71/29/37/1248712937.db2.gz KCUVQOVVYAXOOD-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214855288 1223948688 /nfs/dbraw/zinc/94/86/88/1223948688.db2.gz BKHGXIRZLBSNRG-BPLDGKMQSA-N 2 1 365.478 0.025 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214855840 1223948696 /nfs/dbraw/zinc/94/86/96/1223948696.db2.gz PCLBYOSCAJCTNE-FVQBIDKESA-N 2 1 359.474 0.723 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950475 1223958603 /nfs/dbraw/zinc/95/86/03/1223958603.db2.gz SKJNKVFJBVHHGD-KLHDSHLOSA-N 2 1 368.522 0.447 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950475 1223958606 /nfs/dbraw/zinc/95/86/06/1223958606.db2.gz SKJNKVFJBVHHGD-KLHDSHLOSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214950381 1223958655 /nfs/dbraw/zinc/95/86/55/1223958655.db2.gz QDGQQFFZLVUONB-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214950381 1223958657 /nfs/dbraw/zinc/95/86/57/1223958657.db2.gz QDGQQFFZLVUONB-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)no1 ZINC001215155990 1223979141 /nfs/dbraw/zinc/97/91/41/1223979141.db2.gz SYALLKXIVBKQNQ-BXUZGUMPSA-N 2 1 360.418 0.563 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001215416247 1223998387 /nfs/dbraw/zinc/99/83/87/1223998387.db2.gz RDIBICBNHATCLK-RHSMWYFYSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001215423550 1223999105 /nfs/dbraw/zinc/99/91/05/1223999105.db2.gz OYQCCDCNTWEAGE-NVXWUHKLSA-N 2 1 371.489 0.941 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001215463316 1224000785 /nfs/dbraw/zinc/00/07/85/1224000785.db2.gz RDBUCCNJFYYNNK-GDBMZVCRSA-N 2 1 357.462 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215539920 1224005136 /nfs/dbraw/zinc/00/51/36/1224005136.db2.gz CPUZBCREBBRMEY-ZMSDIMECSA-N 2 1 362.474 0.674 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215541025 1224005178 /nfs/dbraw/zinc/00/51/78/1224005178.db2.gz VEWGCMCSWSIJES-ARFHVFGLSA-N 2 1 367.538 0.862 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567988 1224006586 /nfs/dbraw/zinc/00/65/86/1224006586.db2.gz JLHNALAMVKPPSI-HUUCEWRRSA-N 2 1 365.526 0.998 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567988 1224006589 /nfs/dbraw/zinc/00/65/89/1224006589.db2.gz JLHNALAMVKPPSI-HUUCEWRRSA-N 2 1 365.526 0.998 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598938 1224008755 /nfs/dbraw/zinc/00/87/55/1224008755.db2.gz KSYXKQJRXGCATM-CKEIUWERSA-N 2 1 365.478 0.815 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001215723528 1224014358 /nfs/dbraw/zinc/01/43/58/1224014358.db2.gz WWHPPMFNNXJVKF-GDBMZVCRSA-N 2 1 361.490 0.969 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1C1CC1 ZINC001216402263 1224049199 /nfs/dbraw/zinc/04/91/99/1224049199.db2.gz YNQFVDZRZSAOJI-CZUORRHYSA-N 2 1 364.494 0.436 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001216754168 1224068287 /nfs/dbraw/zinc/06/82/87/1224068287.db2.gz JSQTXJUHLJIDSG-XOKHGSTOSA-N 2 1 362.518 0.679 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216756085 1224068864 /nfs/dbraw/zinc/06/88/64/1224068864.db2.gz RCUVBYMDEWVBPO-UMVBOHGHSA-N 2 1 371.445 0.445 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001216756246 1224069106 /nfs/dbraw/zinc/06/91/06/1224069106.db2.gz ZDNVBVKWRVJHCX-TZMCWYRMSA-N 2 1 357.418 0.057 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCc3nc(C)no3)C2)C1 ZINC001216801780 1224073694 /nfs/dbraw/zinc/07/36/94/1224073694.db2.gz UXAUUUMQNOHSIR-BMFZPTHFSA-N 2 1 365.478 0.468 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCc3nc(C)no3)C2)C1 ZINC001216801780 1224073696 /nfs/dbraw/zinc/07/36/96/1224073696.db2.gz UXAUUUMQNOHSIR-BMFZPTHFSA-N 2 1 365.478 0.468 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216845137 1224078504 /nfs/dbraw/zinc/07/85/04/1224078504.db2.gz YVINXGDHZVDHSZ-KFWWJZLASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001216993646 1224084106 /nfs/dbraw/zinc/08/41/06/1224084106.db2.gz NNLZECVPPYSQSK-KBAYOESNSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001216993646 1224084108 /nfs/dbraw/zinc/08/41/08/1224084108.db2.gz NNLZECVPPYSQSK-KBAYOESNSA-N 2 1 358.486 0.786 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993377686 1249508618 /nfs/dbraw/zinc/50/86/18/1249508618.db2.gz MTILKFPUWMBVFI-VIPLHTEESA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000993950586 1250098688 /nfs/dbraw/zinc/09/86/88/1250098688.db2.gz HOIJWJKUJIMWMP-XHSDSOJGSA-N 2 1 359.474 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000993950586 1250098701 /nfs/dbraw/zinc/09/87/01/1250098701.db2.gz HOIJWJKUJIMWMP-XHSDSOJGSA-N 2 1 359.474 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994027592 1250152546 /nfs/dbraw/zinc/15/25/46/1250152546.db2.gz BUKGJCFZWDOLSH-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986065 1245316481 /nfs/dbraw/zinc/31/64/81/1245316481.db2.gz FCWNYXAIPXNXPK-ZACQAIPSSA-N 2 1 374.441 0.317 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986065 1245316484 /nfs/dbraw/zinc/31/64/84/1245316484.db2.gz FCWNYXAIPXNXPK-ZACQAIPSSA-N 2 1 374.441 0.317 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n[nH]1 ZINC000823771484 1245321121 /nfs/dbraw/zinc/32/11/21/1245321121.db2.gz SSZOYRKLWKMEMU-DLBZAZTESA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n[nH]1 ZINC000823771484 1245321127 /nfs/dbraw/zinc/32/11/27/1245321127.db2.gz SSZOYRKLWKMEMU-DLBZAZTESA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000823771484 1245321129 /nfs/dbraw/zinc/32/11/29/1245321129.db2.gz SSZOYRKLWKMEMU-DLBZAZTESA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000823771484 1245321133 /nfs/dbraw/zinc/32/11/33/1245321133.db2.gz SSZOYRKLWKMEMU-DLBZAZTESA-N 2 1 374.489 0.555 20 0 FCADMP CCN(C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000891463928 1245451192 /nfs/dbraw/zinc/45/11/92/1245451192.db2.gz HGYXHQCBZPOYRW-SFHVURJKSA-N 2 1 360.506 0.987 20 0 FCADMP C[N@@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCC1 ZINC000891519117 1245452234 /nfs/dbraw/zinc/45/22/34/1245452234.db2.gz WLEOTTPKXOGDQR-XHSDSOJGSA-N 2 1 365.478 0.437 20 0 FCADMP CCN(C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000891570014 1245455201 /nfs/dbraw/zinc/45/52/01/1245455201.db2.gz VVDZTUCLGBYNJO-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563256 1245455413 /nfs/dbraw/zinc/45/54/13/1245455413.db2.gz BRVQHQXSJBSKHL-IRXDYDNUSA-N 2 1 367.538 0.470 20 0 FCADMP CCN(C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891570010 1245455675 /nfs/dbraw/zinc/45/56/75/1245455675.db2.gz VVDZTUCLGBYNJO-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000891601465 1245456485 /nfs/dbraw/zinc/45/64/85/1245456485.db2.gz GABROYUMPHYTQA-DLBZAZTESA-N 2 1 367.538 0.328 20 0 FCADMP Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923311529 1245707429 /nfs/dbraw/zinc/70/74/29/1245707429.db2.gz YVWAOMMQDFOTBK-SFHVURJKSA-N 2 1 359.470 0.897 20 0 FCADMP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923323559 1245708712 /nfs/dbraw/zinc/70/87/12/1245708712.db2.gz JDMGOIBKOFRTOG-KURKYZTESA-N 2 1 364.534 0.677 20 0 FCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000923483954 1245724313 /nfs/dbraw/zinc/72/43/13/1245724313.db2.gz UIQQPHAIYYGARZ-KRWDZBQOSA-N 2 1 372.513 0.936 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000941102598 1246462435 /nfs/dbraw/zinc/46/24/35/1246462435.db2.gz BNHSJNKCBAIXOD-ARFHVFGLSA-N 2 1 359.474 0.536 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000941276581 1246540436 /nfs/dbraw/zinc/54/04/36/1246540436.db2.gz ZLMOXZYDALZELR-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000941276581 1246540444 /nfs/dbraw/zinc/54/04/44/1246540444.db2.gz ZLMOXZYDALZELR-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000941278440 1246541149 /nfs/dbraw/zinc/54/11/49/1246541149.db2.gz NNUUTSAJALJGIZ-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000941278440 1246541156 /nfs/dbraw/zinc/54/11/56/1246541156.db2.gz NNUUTSAJALJGIZ-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941369487 1246577134 /nfs/dbraw/zinc/57/71/34/1246577134.db2.gz GWZSIWSMMOKMGN-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@H]4CCCO4)C3)CC2)CC[N@H+]1C ZINC000941413120 1246608872 /nfs/dbraw/zinc/60/88/72/1246608872.db2.gz QJQBNIYQWCCVRF-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488934 1246649702 /nfs/dbraw/zinc/64/97/02/1246649702.db2.gz NOUVUJDUMULFIT-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488934 1246649710 /nfs/dbraw/zinc/64/97/10/1246649710.db2.gz NOUVUJDUMULFIT-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488934 1246649717 /nfs/dbraw/zinc/64/97/17/1246649717.db2.gz NOUVUJDUMULFIT-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941488934 1246649724 /nfs/dbraw/zinc/64/97/24/1246649724.db2.gz NOUVUJDUMULFIT-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941871687 1246880060 /nfs/dbraw/zinc/88/00/60/1246880060.db2.gz VBRXCTRNWVNNQR-INMHGKMJSA-N 2 1 365.478 0.120 20 0 FCADMP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549234 1247123833 /nfs/dbraw/zinc/12/38/33/1247123833.db2.gz LGKGKVLRGPKZMA-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000943263246 1247278714 /nfs/dbraw/zinc/27/87/14/1247278714.db2.gz JXDCIDFDFMBCOD-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC000943263246 1247278723 /nfs/dbraw/zinc/27/87/23/1247278723.db2.gz JXDCIDFDFMBCOD-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000943284217 1247285502 /nfs/dbraw/zinc/28/55/02/1247285502.db2.gz AYELUJZWNUODLW-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000994248654 1250316778 /nfs/dbraw/zinc/31/67/78/1250316778.db2.gz KIZLPBZGPCPYAI-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000994248654 1250316791 /nfs/dbraw/zinc/31/67/91/1250316791.db2.gz KIZLPBZGPCPYAI-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943602339 1247366646 /nfs/dbraw/zinc/36/66/46/1247366646.db2.gz ZJIDXVPKJMRCLQ-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000943662471 1247378584 /nfs/dbraw/zinc/37/85/84/1247378584.db2.gz KZMMNZIWMDGFBU-HHARLNAUSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000943662471 1247378594 /nfs/dbraw/zinc/37/85/94/1247378594.db2.gz KZMMNZIWMDGFBU-HHARLNAUSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000943662471 1247378605 /nfs/dbraw/zinc/37/86/05/1247378605.db2.gz KZMMNZIWMDGFBU-HHARLNAUSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000943662471 1247378616 /nfs/dbraw/zinc/37/86/16/1247378616.db2.gz KZMMNZIWMDGFBU-HHARLNAUSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000943705781 1247392461 /nfs/dbraw/zinc/39/24/61/1247392461.db2.gz OSIFCIZKEGZQJP-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000943705781 1247392470 /nfs/dbraw/zinc/39/24/70/1247392470.db2.gz OSIFCIZKEGZQJP-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000943705781 1247392478 /nfs/dbraw/zinc/39/24/78/1247392478.db2.gz OSIFCIZKEGZQJP-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000943705781 1247392484 /nfs/dbraw/zinc/39/24/84/1247392484.db2.gz OSIFCIZKEGZQJP-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000946426285 1247809294 /nfs/dbraw/zinc/80/92/94/1247809294.db2.gz IJWXKTTUYKROKY-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001327810086 1265431702 /nfs/dbraw/zinc/43/17/02/1265431702.db2.gz AXRUIQLEKYWHJI-GOSISDBHSA-N 2 1 356.470 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946595433 1247909034 /nfs/dbraw/zinc/90/90/34/1247909034.db2.gz ZFOMCTWENKTOCT-UYTYNIKBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595433 1247909043 /nfs/dbraw/zinc/90/90/43/1247909043.db2.gz ZFOMCTWENKTOCT-UYTYNIKBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595433 1247909055 /nfs/dbraw/zinc/90/90/55/1247909055.db2.gz ZFOMCTWENKTOCT-UYTYNIKBSA-N 2 1 362.518 0.728 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946770229 1248000731 /nfs/dbraw/zinc/00/07/31/1248000731.db2.gz KSEVIXLKEUWJCI-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000947279063 1248088324 /nfs/dbraw/zinc/08/83/24/1248088324.db2.gz OGTSHEHWHVMBFE-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000947279063 1248088328 /nfs/dbraw/zinc/08/83/28/1248088328.db2.gz OGTSHEHWHVMBFE-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)[C@@H]2C1)C1CC1 ZINC000972739071 1248127060 /nfs/dbraw/zinc/12/70/60/1248127060.db2.gz NEOQNRDVCDNKHN-KYJSFNMBSA-N 2 1 359.474 0.742 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)CC[N@H+]1C ZINC000972737953 1248127471 /nfs/dbraw/zinc/12/74/71/1248127471.db2.gz MXQJHZJSEIBGDD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)CC[NH+]1C ZINC000972737953 1248127481 /nfs/dbraw/zinc/12/74/81/1248127481.db2.gz MXQJHZJSEIBGDD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)CC[NH+]1C ZINC000972737953 1248127495 /nfs/dbraw/zinc/12/74/95/1248127495.db2.gz MXQJHZJSEIBGDD-JOCBIADPSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC000976944705 1248481815 /nfs/dbraw/zinc/48/18/15/1248481815.db2.gz IVUIBXYYIBJFLB-MTSZKFMLSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000977026779 1248520179 /nfs/dbraw/zinc/52/01/79/1248520179.db2.gz SFQMZFCETBEZBG-NDVFFRQXSA-N 2 1 362.518 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000977026779 1248520183 /nfs/dbraw/zinc/52/01/83/1248520183.db2.gz SFQMZFCETBEZBG-NDVFFRQXSA-N 2 1 362.518 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000977026779 1248520190 /nfs/dbraw/zinc/52/01/90/1248520190.db2.gz SFQMZFCETBEZBG-NDVFFRQXSA-N 2 1 362.518 0.630 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001328143116 1265490539 /nfs/dbraw/zinc/49/05/39/1265490539.db2.gz OFCXHBJKZFUBTM-UHFFFAOYSA-N 2 1 363.510 0.268 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994315899 1250367877 /nfs/dbraw/zinc/36/78/77/1250367877.db2.gz SBXFAMGEARDJNY-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994853345 1250713406 /nfs/dbraw/zinc/71/34/06/1250713406.db2.gz YSGSPZSNLOOEBN-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994853345 1250713413 /nfs/dbraw/zinc/71/34/13/1250713413.db2.gz YSGSPZSNLOOEBN-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994853345 1250713424 /nfs/dbraw/zinc/71/34/24/1250713424.db2.gz YSGSPZSNLOOEBN-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994853345 1250713432 /nfs/dbraw/zinc/71/34/32/1250713432.db2.gz YSGSPZSNLOOEBN-DJIMGWMZSA-N 2 1 366.506 0.153 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498350 1265517831 /nfs/dbraw/zinc/51/78/31/1265517831.db2.gz YSEDNCXRHRTLHH-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)ncn1 ZINC000995957011 1251091073 /nfs/dbraw/zinc/09/10/73/1251091073.db2.gz JDLBFGZGHMGKBU-DJIMGWMZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)ncn1 ZINC000995957011 1251091084 /nfs/dbraw/zinc/09/10/84/1251091084.db2.gz JDLBFGZGHMGKBU-DJIMGWMZSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)O1 ZINC000995959759 1251094421 /nfs/dbraw/zinc/09/44/21/1251094421.db2.gz SAGMPNQIPSOQFS-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)O1 ZINC000995959759 1251094428 /nfs/dbraw/zinc/09/44/28/1251094428.db2.gz SAGMPNQIPSOQFS-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000996315573 1251311620 /nfs/dbraw/zinc/31/16/20/1251311620.db2.gz TZRDGYLPWCUIQV-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC000996385415 1251335849 /nfs/dbraw/zinc/33/58/49/1251335849.db2.gz JUELLXZZBIUIPB-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000996577070 1251395816 /nfs/dbraw/zinc/39/58/16/1251395816.db2.gz UHXDQSINWZWTFF-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000996577070 1251395823 /nfs/dbraw/zinc/39/58/23/1251395823.db2.gz UHXDQSINWZWTFF-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ncnn3CCF)CC2)O1 ZINC000996711062 1251420494 /nfs/dbraw/zinc/42/04/94/1251420494.db2.gz IZBMTTLEYUFVJD-UKRRQHHQSA-N 2 1 368.457 0.047 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ncnn3CCF)CC2)O1 ZINC000996711062 1251420503 /nfs/dbraw/zinc/42/05/03/1251420503.db2.gz IZBMTTLEYUFVJD-UKRRQHHQSA-N 2 1 368.457 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000997007484 1251468869 /nfs/dbraw/zinc/46/88/69/1251468869.db2.gz MBNUIBLEMYSEHN-XABWRGDLSA-N 2 1 362.518 0.917 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)c2)CC1 ZINC001328581779 1265582960 /nfs/dbraw/zinc/58/29/60/1265582960.db2.gz WFUYVEQYCRARBB-IBGZPJMESA-N 2 1 360.502 0.819 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000998062480 1251770557 /nfs/dbraw/zinc/77/05/57/1251770557.db2.gz HRTLOZUTHBKLSJ-LTIDMASMSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000999498031 1252127764 /nfs/dbraw/zinc/12/77/64/1252127764.db2.gz UIBSBNCXPMXMPO-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC000999498031 1252127768 /nfs/dbraw/zinc/12/77/68/1252127768.db2.gz UIBSBNCXPMXMPO-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC001002289524 1252505618 /nfs/dbraw/zinc/50/56/18/1252505618.db2.gz FJHDAAFORNOMBJ-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC001002289524 1252505625 /nfs/dbraw/zinc/50/56/25/1252505625.db2.gz FJHDAAFORNOMBJ-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002289524 1252505632 /nfs/dbraw/zinc/50/56/32/1252505632.db2.gz FJHDAAFORNOMBJ-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002289524 1252505636 /nfs/dbraw/zinc/50/56/36/1252505636.db2.gz FJHDAAFORNOMBJ-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)O1 ZINC001002878973 1252725223 /nfs/dbraw/zinc/72/52/23/1252725223.db2.gz DHIAZLVUJHXJJO-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)O1 ZINC001002878973 1252725235 /nfs/dbraw/zinc/72/52/35/1252725235.db2.gz DHIAZLVUJHXJJO-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001002878973 1252725243 /nfs/dbraw/zinc/72/52/43/1252725243.db2.gz DHIAZLVUJHXJJO-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)O1 ZINC001002878973 1252725252 /nfs/dbraw/zinc/72/52/52/1252725252.db2.gz DHIAZLVUJHXJJO-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC001002882355 1252727417 /nfs/dbraw/zinc/72/74/17/1252727417.db2.gz BWEPCFMPTGTLCN-GDBMZVCRSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC001002882355 1252727423 /nfs/dbraw/zinc/72/74/23/1252727423.db2.gz BWEPCFMPTGTLCN-GDBMZVCRSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC001002882355 1252727426 /nfs/dbraw/zinc/72/74/26/1252727426.db2.gz BWEPCFMPTGTLCN-GDBMZVCRSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC001002882355 1252727434 /nfs/dbraw/zinc/72/74/34/1252727434.db2.gz BWEPCFMPTGTLCN-GDBMZVCRSA-N 2 1 366.506 0.012 20 0 FCADMP COCC[N@H+](C)CCn1c(C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001519117137 1265702598 /nfs/dbraw/zinc/70/25/98/1265702598.db2.gz NLWBHIDOILOXOB-UHFFFAOYSA-N 2 1 368.526 0.712 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001519117137 1265702605 /nfs/dbraw/zinc/70/26/05/1265702605.db2.gz NLWBHIDOILOXOB-UHFFFAOYSA-N 2 1 368.526 0.712 20 0 FCADMP COCC[NH+](C)CCn1c(C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001519117137 1265702613 /nfs/dbraw/zinc/70/26/13/1265702613.db2.gz NLWBHIDOILOXOB-UHFFFAOYSA-N 2 1 368.526 0.712 20 0 FCADMP COCC[NH+](C)CCn1c(C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001519117137 1265702621 /nfs/dbraw/zinc/70/26/21/1265702621.db2.gz NLWBHIDOILOXOB-UHFFFAOYSA-N 2 1 368.526 0.712 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001033185747 1253949526 /nfs/dbraw/zinc/94/95/26/1253949526.db2.gz PRPDAJVKFGSCHZ-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001033185747 1253949536 /nfs/dbraw/zinc/94/95/36/1253949536.db2.gz PRPDAJVKFGSCHZ-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001033185747 1253949546 /nfs/dbraw/zinc/94/95/46/1253949546.db2.gz PRPDAJVKFGSCHZ-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001033185747 1253949553 /nfs/dbraw/zinc/94/95/53/1253949553.db2.gz PRPDAJVKFGSCHZ-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033195455 1253950998 /nfs/dbraw/zinc/95/09/98/1253950998.db2.gz HRDXTOSGRAXLRM-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033195455 1253951013 /nfs/dbraw/zinc/95/10/13/1253951013.db2.gz HRDXTOSGRAXLRM-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033195455 1253951031 /nfs/dbraw/zinc/95/10/31/1253951031.db2.gz HRDXTOSGRAXLRM-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033195455 1253951044 /nfs/dbraw/zinc/95/10/44/1253951044.db2.gz HRDXTOSGRAXLRM-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1 ZINC001034971244 1254013497 /nfs/dbraw/zinc/01/34/97/1254013497.db2.gz HLCROKYYOZYMSF-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1 ZINC001034971244 1254013506 /nfs/dbraw/zinc/01/35/06/1254013506.db2.gz HLCROKYYOZYMSF-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001519902858 1265796664 /nfs/dbraw/zinc/79/66/64/1265796664.db2.gz VJUQWUVTCSXBQA-DOTOQJQBSA-N 2 1 355.527 0.373 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@H]4CCC(=O)NC4=O)C3)CC2)CC[N@@H+]1C ZINC001035708972 1254056628 /nfs/dbraw/zinc/05/66/28/1254056628.db2.gz NZJYXFNKTYYZKW-KFWWJZLASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@H]4CCC(=O)NC4=O)C3)CC2)CC[N@H+]1C ZINC001035708972 1254056634 /nfs/dbraw/zinc/05/66/34/1254056634.db2.gz NZJYXFNKTYYZKW-KFWWJZLASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001057859205 1254098712 /nfs/dbraw/zinc/09/87/12/1254098712.db2.gz UYTSVGHXEVCUQL-IAGOWNOFSA-N 2 1 368.522 0.140 20 0 FCADMP CC[C@H](C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001062263315 1254255101 /nfs/dbraw/zinc/25/51/01/1254255101.db2.gz FFGZPLDWPJTKKQ-QBPKDAKJSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@H](C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001062263315 1254255122 /nfs/dbraw/zinc/25/51/22/1254255122.db2.gz FFGZPLDWPJTKKQ-QBPKDAKJSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC2)CC[N@@H+]1C ZINC001062747315 1254279089 /nfs/dbraw/zinc/27/90/89/1254279089.db2.gz MOKVIHROPWHTGF-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC2)CC[N@H+]1C ZINC001062747315 1254279094 /nfs/dbraw/zinc/27/90/94/1254279094.db2.gz MOKVIHROPWHTGF-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747315 1254279101 /nfs/dbraw/zinc/27/91/01/1254279101.db2.gz MOKVIHROPWHTGF-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747315 1254279104 /nfs/dbraw/zinc/27/91/04/1254279104.db2.gz MOKVIHROPWHTGF-XHSDSOJGSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)N(C(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329785702 1265844974 /nfs/dbraw/zinc/84/49/74/1265844974.db2.gz PJVVLBCAQFMFEM-QAPCUYQASA-N 2 1 370.453 0.374 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496636 1254353536 /nfs/dbraw/zinc/35/35/36/1254353536.db2.gz CNODQKXJDGUAMT-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496636 1254353540 /nfs/dbraw/zinc/35/35/40/1254353540.db2.gz CNODQKXJDGUAMT-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496636 1254353545 /nfs/dbraw/zinc/35/35/45/1254353545.db2.gz CNODQKXJDGUAMT-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001063496636 1254353551 /nfs/dbraw/zinc/35/35/51/1254353551.db2.gz CNODQKXJDGUAMT-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329822441 1265861374 /nfs/dbraw/zinc/86/13/74/1265861374.db2.gz COHFGLYJXJVJAQ-GFCCVEGCSA-N 2 1 364.450 0.036 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001065210885 1254491622 /nfs/dbraw/zinc/49/16/22/1254491622.db2.gz HQPYHMFYCBHUHF-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@H]2O)CC1 ZINC001077618982 1254786672 /nfs/dbraw/zinc/78/66/72/1254786672.db2.gz XWCKYUMONZMWPT-IPMKNSEASA-N 2 1 361.486 0.093 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001077618666 1254786693 /nfs/dbraw/zinc/78/66/93/1254786693.db2.gz OQEGABJFJZEQCN-RTBURBONSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001077618666 1254786705 /nfs/dbraw/zinc/78/67/05/1254786705.db2.gz OQEGABJFJZEQCN-RTBURBONSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)CC1 ZINC001077618424 1254787162 /nfs/dbraw/zinc/78/71/62/1254787162.db2.gz HZHGTGMQGYLZIZ-QZTJIDSGSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)CC1 ZINC001077618424 1254787183 /nfs/dbraw/zinc/78/71/83/1254787183.db2.gz HZHGTGMQGYLZIZ-QZTJIDSGSA-N 2 1 365.449 0.708 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680364 1254868038 /nfs/dbraw/zinc/86/80/38/1254868038.db2.gz CDHMFFLOEKLYGB-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680364 1254868050 /nfs/dbraw/zinc/86/80/50/1254868050.db2.gz CDHMFFLOEKLYGB-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680364 1254868063 /nfs/dbraw/zinc/86/80/63/1254868063.db2.gz CDHMFFLOEKLYGB-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077682940 1254873354 /nfs/dbraw/zinc/87/33/54/1254873354.db2.gz RZNBURCDHGGMNW-KBAYOESNSA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077682940 1254873367 /nfs/dbraw/zinc/87/33/67/1254873367.db2.gz RZNBURCDHGGMNW-KBAYOESNSA-N 2 1 362.474 0.342 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685208 1254878203 /nfs/dbraw/zinc/87/82/03/1254878203.db2.gz DSCZBGQZNCHZAN-KZNAEPCWSA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685208 1254878212 /nfs/dbraw/zinc/87/82/12/1254878212.db2.gz DSCZBGQZNCHZAN-KZNAEPCWSA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)C1 ZINC001077685208 1254878220 /nfs/dbraw/zinc/87/82/20/1254878220.db2.gz DSCZBGQZNCHZAN-KZNAEPCWSA-N 2 1 367.534 0.821 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077777425 1254979737 /nfs/dbraw/zinc/97/97/37/1254979737.db2.gz LFQMGWKXHZTGBT-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077777425 1254979749 /nfs/dbraw/zinc/97/97/49/1254979749.db2.gz LFQMGWKXHZTGBT-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077777425 1254979756 /nfs/dbraw/zinc/97/97/56/1254979756.db2.gz LFQMGWKXHZTGBT-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077777425 1254979764 /nfs/dbraw/zinc/97/97/64/1254979764.db2.gz LFQMGWKXHZTGBT-FGTMMUONSA-N 2 1 363.506 0.387 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779373 1254981137 /nfs/dbraw/zinc/98/11/37/1254981137.db2.gz KDMVFPOXFJZQEE-IAGOWNOFSA-N 2 1 364.490 0.939 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779373 1254981147 /nfs/dbraw/zinc/98/11/47/1254981147.db2.gz KDMVFPOXFJZQEE-IAGOWNOFSA-N 2 1 364.490 0.939 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077974968 1255139601 /nfs/dbraw/zinc/13/96/01/1255139601.db2.gz BSYUUYINYBOKJN-GUDVDZBRSA-N 2 1 365.518 0.839 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078005337 1255161956 /nfs/dbraw/zinc/16/19/56/1255161956.db2.gz APGIFZNEAGULKT-BHIYHBOVSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078005337 1255161949 /nfs/dbraw/zinc/16/19/49/1255161949.db2.gz APGIFZNEAGULKT-BHIYHBOVSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078005337 1255161954 /nfs/dbraw/zinc/16/19/54/1255161954.db2.gz APGIFZNEAGULKT-BHIYHBOVSA-N 2 1 361.486 0.836 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174325 1255287457 /nfs/dbraw/zinc/28/74/57/1255287457.db2.gz IEGLDMZWCZWIJL-KBAYOESNSA-N 2 1 359.470 0.841 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174325 1255287469 /nfs/dbraw/zinc/28/74/69/1255287469.db2.gz IEGLDMZWCZWIJL-KBAYOESNSA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174325 1255287476 /nfs/dbraw/zinc/28/74/76/1255287476.db2.gz IEGLDMZWCZWIJL-KBAYOESNSA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174325 1255287488 /nfs/dbraw/zinc/28/74/88/1255287488.db2.gz IEGLDMZWCZWIJL-KBAYOESNSA-N 2 1 359.470 0.841 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174165 1255288736 /nfs/dbraw/zinc/28/87/36/1255288736.db2.gz CVYVIBZFSMGYRV-BZUAXINKSA-N 2 1 361.442 0.071 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174165 1255288742 /nfs/dbraw/zinc/28/87/42/1255288742.db2.gz CVYVIBZFSMGYRV-BZUAXINKSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174165 1255288746 /nfs/dbraw/zinc/28/87/46/1255288746.db2.gz CVYVIBZFSMGYRV-BZUAXINKSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174165 1255288750 /nfs/dbraw/zinc/28/87/50/1255288750.db2.gz CVYVIBZFSMGYRV-BZUAXINKSA-N 2 1 361.442 0.071 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174324 1255289042 /nfs/dbraw/zinc/28/90/42/1255289042.db2.gz IEGLDMZWCZWIJL-CGTJXYLNSA-N 2 1 359.470 0.841 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174324 1255289046 /nfs/dbraw/zinc/28/90/46/1255289046.db2.gz IEGLDMZWCZWIJL-CGTJXYLNSA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174324 1255289049 /nfs/dbraw/zinc/28/90/49/1255289049.db2.gz IEGLDMZWCZWIJL-CGTJXYLNSA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)C[C@H]2O)C1 ZINC001078174324 1255289051 /nfs/dbraw/zinc/28/90/51/1255289051.db2.gz IEGLDMZWCZWIJL-CGTJXYLNSA-N 2 1 359.470 0.841 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206050 1255318915 /nfs/dbraw/zinc/31/89/15/1255318915.db2.gz NPBFJMYBFWQDEQ-KURKYZTESA-N 2 1 365.518 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206050 1255318925 /nfs/dbraw/zinc/31/89/25/1255318925.db2.gz NPBFJMYBFWQDEQ-KURKYZTESA-N 2 1 365.518 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206050 1255318932 /nfs/dbraw/zinc/31/89/32/1255318932.db2.gz NPBFJMYBFWQDEQ-KURKYZTESA-N 2 1 365.518 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001078206050 1255318941 /nfs/dbraw/zinc/31/89/41/1255318941.db2.gz NPBFJMYBFWQDEQ-KURKYZTESA-N 2 1 365.518 0.839 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001078227140 1255340316 /nfs/dbraw/zinc/34/03/16/1255340316.db2.gz KXSHQPNZTUVNPK-KFKAGJAMSA-N 2 1 361.486 0.950 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)cn1 ZINC001078227187 1255340450 /nfs/dbraw/zinc/34/04/50/1255340450.db2.gz NGSHKRRDWAUFRM-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)cn1 ZINC001078227187 1255340458 /nfs/dbraw/zinc/34/04/58/1255340458.db2.gz NGSHKRRDWAUFRM-RTBURBONSA-N 2 1 371.485 0.499 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001078404203 1255408825 /nfs/dbraw/zinc/40/88/25/1255408825.db2.gz UZQMTFALGWZZKD-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](N(C)C(=O)CC[NH+](C)C)CC2)O1 ZINC001079066238 1255439206 /nfs/dbraw/zinc/43/92/06/1255439206.db2.gz HHBVOTBJDALITL-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](N(C)C(=O)CC[NH+](C)C)CC2)O1 ZINC001079066238 1255439208 /nfs/dbraw/zinc/43/92/08/1255439208.db2.gz HHBVOTBJDALITL-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146776 1255459519 /nfs/dbraw/zinc/45/95/19/1255459519.db2.gz GQRADTUWTPWHBX-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146776 1255459522 /nfs/dbraw/zinc/45/95/22/1255459522.db2.gz GQRADTUWTPWHBX-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079146776 1255459524 /nfs/dbraw/zinc/45/95/24/1255459524.db2.gz GQRADTUWTPWHBX-IPMKNSEASA-N 2 1 361.486 0.658 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)C1 ZINC001079149792 1255460462 /nfs/dbraw/zinc/46/04/62/1255460462.db2.gz MBZCZWVYVXVWOT-KSZLIROESA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)C1 ZINC001079149792 1255460468 /nfs/dbraw/zinc/46/04/68/1255460468.db2.gz MBZCZWVYVXVWOT-KSZLIROESA-N 2 1 365.449 0.423 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001079185392 1255468726 /nfs/dbraw/zinc/46/87/26/1255468726.db2.gz NOFDIQARIGWORF-VDNDLQMASA-N 2 1 362.449 0.535 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001079298925 1255503843 /nfs/dbraw/zinc/50/38/43/1255503843.db2.gz NOCLSULDSLCVJO-DOTOQJQBSA-N 2 1 362.449 0.679 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160939 1255766349 /nfs/dbraw/zinc/76/63/49/1255766349.db2.gz FKVBGIQROSVBHJ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160939 1255766353 /nfs/dbraw/zinc/76/63/53/1255766353.db2.gz FKVBGIQROSVBHJ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160939 1255766357 /nfs/dbraw/zinc/76/63/57/1255766357.db2.gz FKVBGIQROSVBHJ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160939 1255766360 /nfs/dbraw/zinc/76/63/60/1255766360.db2.gz FKVBGIQROSVBHJ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188662 1255778831 /nfs/dbraw/zinc/77/88/31/1255778831.db2.gz OVDPVAMNWPSFHG-SZVBFZGTSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080192457 1255780434 /nfs/dbraw/zinc/78/04/34/1255780434.db2.gz MDJZHPXFKLHLRX-RVKKMQEKSA-N 2 1 360.502 0.975 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080192457 1255780440 /nfs/dbraw/zinc/78/04/40/1255780440.db2.gz MDJZHPXFKLHLRX-RVKKMQEKSA-N 2 1 360.502 0.975 20 0 FCADMP CCN(C(=O)C[NH+]1CCC[C@H]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080554790 1255929666 /nfs/dbraw/zinc/92/96/66/1255929666.db2.gz CYNXNZZMBJZWPR-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[NH+]1CCC[C@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080554790 1255929672 /nfs/dbraw/zinc/92/96/72/1255929672.db2.gz CYNXNZZMBJZWPR-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCC[C@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080554790 1255929680 /nfs/dbraw/zinc/92/96/80/1255929680.db2.gz CYNXNZZMBJZWPR-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080554790 1255929683 /nfs/dbraw/zinc/92/96/83/1255929683.db2.gz CYNXNZZMBJZWPR-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754273 1256018984 /nfs/dbraw/zinc/01/89/84/1256018984.db2.gz FRQRTBHRPAJGTA-OLMNPRSZSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001080935213 1256103334 /nfs/dbraw/zinc/10/33/34/1256103334.db2.gz NNCKJLHLNYCYJU-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080935213 1256103344 /nfs/dbraw/zinc/10/33/44/1256103344.db2.gz NNCKJLHLNYCYJU-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080935213 1256103347 /nfs/dbraw/zinc/10/33/47/1256103347.db2.gz NNCKJLHLNYCYJU-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)CCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001080973788 1256119200 /nfs/dbraw/zinc/11/92/00/1256119200.db2.gz WIMUCUFRUQPKHW-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976717 1256120275 /nfs/dbraw/zinc/12/02/75/1256120275.db2.gz GZUBTLNTKBJVEO-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976717 1256120278 /nfs/dbraw/zinc/12/02/78/1256120278.db2.gz GZUBTLNTKBJVEO-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976717 1256120283 /nfs/dbraw/zinc/12/02/83/1256120283.db2.gz GZUBTLNTKBJVEO-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)C1 ZINC001080976717 1256120288 /nfs/dbraw/zinc/12/02/88/1256120288.db2.gz GZUBTLNTKBJVEO-ZTFGCOKTSA-N 2 1 363.506 0.657 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001081125674 1256187916 /nfs/dbraw/zinc/18/79/16/1256187916.db2.gz MGIQJCAOOIBAIZ-GBESFXJTSA-N 2 1 370.497 0.943 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226409 1256211701 /nfs/dbraw/zinc/21/17/01/1256211701.db2.gz AYAAUUURXGQCRA-OKZBNKHCSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226409 1256211703 /nfs/dbraw/zinc/21/17/03/1256211703.db2.gz AYAAUUURXGQCRA-OKZBNKHCSA-N 2 1 368.485 0.851 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081649537 1256318599 /nfs/dbraw/zinc/31/85/99/1256318599.db2.gz KWGFDBVXHAJUQA-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081649537 1256318601 /nfs/dbraw/zinc/31/86/01/1256318601.db2.gz KWGFDBVXHAJUQA-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081649537 1256318607 /nfs/dbraw/zinc/31/86/07/1256318607.db2.gz KWGFDBVXHAJUQA-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081649537 1256318614 /nfs/dbraw/zinc/31/86/14/1256318614.db2.gz KWGFDBVXHAJUQA-BRWVUGGUSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670087 1256328968 /nfs/dbraw/zinc/32/89/68/1256328968.db2.gz FGXINXLNRAVSGO-RCCFBDPRSA-N 2 1 361.490 0.120 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691741 1256336793 /nfs/dbraw/zinc/33/67/93/1256336793.db2.gz NTBARPUVELMANU-MWQQHZPXSA-N 2 1 362.474 0.041 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691741 1256336798 /nfs/dbraw/zinc/33/67/98/1256336798.db2.gz NTBARPUVELMANU-MWQQHZPXSA-N 2 1 362.474 0.041 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691741 1256336804 /nfs/dbraw/zinc/33/68/04/1256336804.db2.gz NTBARPUVELMANU-MWQQHZPXSA-N 2 1 362.474 0.041 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767120 1256359395 /nfs/dbraw/zinc/35/93/95/1256359395.db2.gz RYRTXLWYJGETBZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767120 1256359399 /nfs/dbraw/zinc/35/93/99/1256359399.db2.gz RYRTXLWYJGETBZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767120 1256359406 /nfs/dbraw/zinc/35/94/06/1256359406.db2.gz RYRTXLWYJGETBZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767120 1256359415 /nfs/dbraw/zinc/35/94/15/1256359415.db2.gz RYRTXLWYJGETBZ-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018719 1256499011 /nfs/dbraw/zinc/49/90/11/1256499011.db2.gz QJPBABYJWDEFLT-IAGOWNOFSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018719 1256499016 /nfs/dbraw/zinc/49/90/16/1256499016.db2.gz QJPBABYJWDEFLT-IAGOWNOFSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082132879 1256550354 /nfs/dbraw/zinc/55/03/54/1256550354.db2.gz WBSKZILPPDKKLF-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082132879 1256550356 /nfs/dbraw/zinc/55/03/56/1256550356.db2.gz WBSKZILPPDKKLF-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082132879 1256550364 /nfs/dbraw/zinc/55/03/64/1256550364.db2.gz WBSKZILPPDKKLF-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001082144745 1256560727 /nfs/dbraw/zinc/56/07/27/1256560727.db2.gz FFGZPLDWPJTKKQ-LTIDMASMSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001082144745 1256560734 /nfs/dbraw/zinc/56/07/34/1256560734.db2.gz FFGZPLDWPJTKKQ-LTIDMASMSA-N 2 1 368.522 0.543 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326496 1256666649 /nfs/dbraw/zinc/66/66/49/1256666649.db2.gz GMTAVONSUSOXGO-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326496 1256666658 /nfs/dbraw/zinc/66/66/58/1256666658.db2.gz GMTAVONSUSOXGO-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326496 1256666664 /nfs/dbraw/zinc/66/66/64/1256666664.db2.gz GMTAVONSUSOXGO-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082520591 1256804758 /nfs/dbraw/zinc/80/47/58/1256804758.db2.gz GSILQCBGRNQQTI-KLHDSHLOSA-N 2 1 360.506 0.891 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082520591 1256804769 /nfs/dbraw/zinc/80/47/69/1256804769.db2.gz GSILQCBGRNQQTI-KLHDSHLOSA-N 2 1 360.506 0.891 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082544801 1256834035 /nfs/dbraw/zinc/83/40/35/1256834035.db2.gz SIVVSZABCJOLSN-FVQBIDKESA-N 2 1 361.494 0.819 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082544801 1256834043 /nfs/dbraw/zinc/83/40/43/1256834043.db2.gz SIVVSZABCJOLSN-FVQBIDKESA-N 2 1 361.494 0.819 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082544570 1256835800 /nfs/dbraw/zinc/83/58/00/1256835800.db2.gz IZRIKXOHOYPELG-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557961 1256855242 /nfs/dbraw/zinc/85/52/42/1256855242.db2.gz QVGPINIGZOSBSF-OLMNPRSZSA-N 2 1 371.489 0.548 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082559383 1256858448 /nfs/dbraw/zinc/85/84/48/1256858448.db2.gz DCWJCBIQUVOUPR-XPKDYRNWSA-N 2 1 363.510 0.705 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)ncn1 ZINC001082558747 1256858637 /nfs/dbraw/zinc/85/86/37/1256858637.db2.gz FGYOWVSYCBMLPW-ZTFGCOKTSA-N 2 1 371.489 0.548 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1)[NH+](C)C ZINC001082575343 1256884820 /nfs/dbraw/zinc/88/48/20/1256884820.db2.gz ZEDHFIHENWSAMS-FMKPAKJESA-N 2 1 365.526 0.951 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]CCn1cncn1 ZINC001082647954 1256952546 /nfs/dbraw/zinc/95/25/46/1256952546.db2.gz QGFAOWYFIXEKNY-GDBMZVCRSA-N 2 1 357.462 0.490 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082653270 1256957249 /nfs/dbraw/zinc/95/72/49/1256957249.db2.gz CRXSQTSECUSAEW-PHYFXXPTSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082653373 1256957916 /nfs/dbraw/zinc/95/79/16/1256957916.db2.gz HWKNJUIURWOZBW-LVPSCPSHSA-N 2 1 356.470 0.881 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653264 1256958392 /nfs/dbraw/zinc/95/83/92/1256958392.db2.gz CNDDJEUJGDYKRV-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001082703404 1256994078 /nfs/dbraw/zinc/99/40/78/1256994078.db2.gz RMJOPEONSCLTEI-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001082703404 1256994080 /nfs/dbraw/zinc/99/40/80/1256994080.db2.gz RMJOPEONSCLTEI-KBAYOESNSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)C1 ZINC001082742225 1257023166 /nfs/dbraw/zinc/02/31/66/1257023166.db2.gz WQOAVKQOTSWVOY-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)C1 ZINC001082742225 1257023175 /nfs/dbraw/zinc/02/31/75/1257023175.db2.gz WQOAVKQOTSWVOY-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001082743591 1257024423 /nfs/dbraw/zinc/02/44/23/1257024423.db2.gz NBALRKLKKYDCTG-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001082743591 1257024433 /nfs/dbraw/zinc/02/44/33/1257024433.db2.gz NBALRKLKKYDCTG-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082744246 1257025453 /nfs/dbraw/zinc/02/54/53/1257025453.db2.gz ZTGSJSXLFFMFQQ-BZUAXINKSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082827056 1257083876 /nfs/dbraw/zinc/08/38/76/1257083876.db2.gz ZJWIWLYYKDLWTE-XOKHGSTOSA-N 2 1 368.441 0.548 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082826791 1257084151 /nfs/dbraw/zinc/08/41/51/1257084151.db2.gz JMSWJDSZJYBOGG-KBRIMQKVSA-N 2 1 368.441 0.596 20 0 FCADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1 ZINC001082919742 1257144394 /nfs/dbraw/zinc/14/43/94/1257144394.db2.gz DHOXQGDOGIXPRA-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001082922456 1257146871 /nfs/dbraw/zinc/14/68/71/1257146871.db2.gz FKLSSVAQYODOIK-CXAGYDPISA-N 2 1 355.442 0.927 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21)[NH+](C)C ZINC001083120046 1257352515 /nfs/dbraw/zinc/35/25/15/1257352515.db2.gz WYBPHTXBFNPVCZ-CEXWTWQISA-N 2 1 361.486 0.931 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21)[NH+](C)C ZINC001083120046 1257352524 /nfs/dbraw/zinc/35/25/24/1257352524.db2.gz WYBPHTXBFNPVCZ-CEXWTWQISA-N 2 1 361.486 0.931 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183194 1257444749 /nfs/dbraw/zinc/44/47/49/1257444749.db2.gz SEAGVAKGIPZQRZ-ZWKOTPCHSA-N 2 1 361.490 0.216 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@@H]1O)CC2 ZINC001083731530 1257467906 /nfs/dbraw/zinc/46/79/06/1257467906.db2.gz CTPKBZGWNIRKMO-IMJJTQAJSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@@H]1O)CC2 ZINC001083731530 1257467908 /nfs/dbraw/zinc/46/79/08/1257467908.db2.gz CTPKBZGWNIRKMO-IMJJTQAJSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083734100 1257471914 /nfs/dbraw/zinc/47/19/14/1257471914.db2.gz QSBCDAHPMCNVGZ-NXHRZFHOSA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083734100 1257471918 /nfs/dbraw/zinc/47/19/18/1257471918.db2.gz QSBCDAHPMCNVGZ-NXHRZFHOSA-N 2 1 362.474 0.342 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521424496 1266121240 /nfs/dbraw/zinc/12/12/40/1266121240.db2.gz GLFAYCOZMJPMHN-LZWOXQAQSA-N 2 1 356.511 0.480 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521424496 1266121242 /nfs/dbraw/zinc/12/12/42/1266121242.db2.gz GLFAYCOZMJPMHN-LZWOXQAQSA-N 2 1 356.511 0.480 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083750465 1257488667 /nfs/dbraw/zinc/48/86/67/1257488667.db2.gz YBJNYOROIREFSE-MSOLQXFVSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083750465 1257488670 /nfs/dbraw/zinc/48/86/70/1257488670.db2.gz YBJNYOROIREFSE-MSOLQXFVSA-N 2 1 365.449 0.708 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1 ZINC001083750423 1257488832 /nfs/dbraw/zinc/48/88/32/1257488832.db2.gz WHGNDDUQQGPSCV-MOPGFXCFSA-N 2 1 361.486 0.741 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)c1ccccc1 ZINC001083749904 1257488969 /nfs/dbraw/zinc/48/89/69/1257488969.db2.gz WCOPRYCRKLUEMS-CEXWTWQISA-N 2 1 361.486 0.877 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778001 1257517789 /nfs/dbraw/zinc/51/77/89/1257517789.db2.gz XAHQDUKMJLKULR-JTDSTZFVSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778001 1257517793 /nfs/dbraw/zinc/51/77/93/1257517793.db2.gz XAHQDUKMJLKULR-JTDSTZFVSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778001 1257517796 /nfs/dbraw/zinc/51/77/96/1257517796.db2.gz XAHQDUKMJLKULR-JTDSTZFVSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778001 1257517799 /nfs/dbraw/zinc/51/77/99/1257517799.db2.gz XAHQDUKMJLKULR-JTDSTZFVSA-N 2 1 371.497 0.929 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863662 1257625949 /nfs/dbraw/zinc/62/59/49/1257625949.db2.gz CMRYCZMKWUVRSR-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953300 1257741262 /nfs/dbraw/zinc/74/12/62/1257741262.db2.gz NMIWEVPPDYFYOB-ZACQAIPSSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953300 1257741264 /nfs/dbraw/zinc/74/12/64/1257741264.db2.gz NMIWEVPPDYFYOB-ZACQAIPSSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953300 1257741266 /nfs/dbraw/zinc/74/12/66/1257741266.db2.gz NMIWEVPPDYFYOB-ZACQAIPSSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953300 1257741268 /nfs/dbraw/zinc/74/12/68/1257741268.db2.gz NMIWEVPPDYFYOB-ZACQAIPSSA-N 2 1 361.490 0.151 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954799 1257743847 /nfs/dbraw/zinc/74/38/47/1257743847.db2.gz JIMAQUFZCLGPJS-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954799 1257743854 /nfs/dbraw/zinc/74/38/54/1257743854.db2.gz JIMAQUFZCLGPJS-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954799 1257743860 /nfs/dbraw/zinc/74/38/60/1257743860.db2.gz JIMAQUFZCLGPJS-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083954799 1257743864 /nfs/dbraw/zinc/74/38/64/1257743864.db2.gz JIMAQUFZCLGPJS-OLMNPRSZSA-N 2 1 365.449 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958092 1257748764 /nfs/dbraw/zinc/74/87/64/1257748764.db2.gz YVWJIZXHXKXBMR-SJORKVTESA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958092 1257748767 /nfs/dbraw/zinc/74/87/67/1257748767.db2.gz YVWJIZXHXKXBMR-SJORKVTESA-N 2 1 363.433 0.462 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053243 1257865579 /nfs/dbraw/zinc/86/55/79/1257865579.db2.gz XAFRYOKWJKNEMQ-JQHSSLGASA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053243 1257865584 /nfs/dbraw/zinc/86/55/84/1257865584.db2.gz XAFRYOKWJKNEMQ-JQHSSLGASA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053243 1257865591 /nfs/dbraw/zinc/86/55/91/1257865591.db2.gz XAFRYOKWJKNEMQ-JQHSSLGASA-N 2 1 360.458 0.258 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053243 1257865598 /nfs/dbraw/zinc/86/55/98/1257865598.db2.gz XAFRYOKWJKNEMQ-JQHSSLGASA-N 2 1 360.458 0.258 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056806 1257869322 /nfs/dbraw/zinc/86/93/22/1257869322.db2.gz OVMNTWAILYCWQK-QRQLOZEOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056806 1257869330 /nfs/dbraw/zinc/86/93/30/1257869330.db2.gz OVMNTWAILYCWQK-QRQLOZEOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)C1 ZINC001084056806 1257869340 /nfs/dbraw/zinc/86/93/40/1257869340.db2.gz OVMNTWAILYCWQK-QRQLOZEOSA-N 2 1 369.469 0.485 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077859 1257904386 /nfs/dbraw/zinc/90/43/86/1257904386.db2.gz DPBDNZLDOUNZRY-QYZOEREBSA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077859 1257904391 /nfs/dbraw/zinc/90/43/91/1257904391.db2.gz DPBDNZLDOUNZRY-QYZOEREBSA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077859 1257904394 /nfs/dbraw/zinc/90/43/94/1257904394.db2.gz DPBDNZLDOUNZRY-QYZOEREBSA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077859 1257904399 /nfs/dbraw/zinc/90/43/99/1257904399.db2.gz DPBDNZLDOUNZRY-QYZOEREBSA-N 2 1 361.486 0.631 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088062 1257911473 /nfs/dbraw/zinc/91/14/73/1257911473.db2.gz OHOWREUGESYNEL-IPELMVKDSA-N 2 1 361.486 0.950 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403434 1258081763 /nfs/dbraw/zinc/08/17/63/1258081763.db2.gz UXOVVMPUFXLFPN-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403434 1258081768 /nfs/dbraw/zinc/08/17/68/1258081768.db2.gz UXOVVMPUFXLFPN-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403434 1258081776 /nfs/dbraw/zinc/08/17/76/1258081776.db2.gz UXOVVMPUFXLFPN-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001084403434 1258081782 /nfs/dbraw/zinc/08/17/82/1258081782.db2.gz UXOVVMPUFXLFPN-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)cc1=O ZINC001084403910 1258082699 /nfs/dbraw/zinc/08/26/99/1258082699.db2.gz ISRKDZXHEQXFOJ-IAGOWNOFSA-N 2 1 358.486 0.902 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)[C@@H]3C2)n1 ZINC001084406313 1258087075 /nfs/dbraw/zinc/08/70/75/1258087075.db2.gz MDOWJLNGVWDGTN-KURKYZTESA-N 2 1 360.506 0.768 20 0 FCADMP C/C(=C\C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001521676978 1266162103 /nfs/dbraw/zinc/16/21/03/1266162103.db2.gz NHQPBVAHBBGEQA-FSOQDABGSA-N 2 1 374.529 0.753 20 0 FCADMP C/C(=C\C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001521676978 1266162106 /nfs/dbraw/zinc/16/21/06/1266162106.db2.gz NHQPBVAHBBGEQA-FSOQDABGSA-N 2 1 374.529 0.753 20 0 FCADMP C/C(=C\C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001521676978 1266162113 /nfs/dbraw/zinc/16/21/13/1266162113.db2.gz NHQPBVAHBBGEQA-FSOQDABGSA-N 2 1 374.529 0.753 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084522204 1258149897 /nfs/dbraw/zinc/14/98/97/1258149897.db2.gz PRWLLXGHLYSNPE-BRWVUGGUSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084522204 1258149899 /nfs/dbraw/zinc/14/98/99/1258149899.db2.gz PRWLLXGHLYSNPE-BRWVUGGUSA-N 2 1 359.474 0.641 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CC4)[C@H]3C2)CC[N@H+]1C ZINC001085016935 1258522284 /nfs/dbraw/zinc/52/22/84/1258522284.db2.gz XBJSFZIQQZEPCN-DFGXFYAUSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)CC[NH+]1C ZINC001085016935 1258522286 /nfs/dbraw/zinc/52/22/86/1258522286.db2.gz XBJSFZIQQZEPCN-DFGXFYAUSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)CC[NH+]1C ZINC001085016935 1258522290 /nfs/dbraw/zinc/52/22/90/1258522290.db2.gz XBJSFZIQQZEPCN-DFGXFYAUSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)CC1 ZINC001085022460 1258529816 /nfs/dbraw/zinc/52/98/16/1258529816.db2.gz JAISUAJGIOISRF-WBVHZDCISA-N 2 1 363.506 0.276 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)n1 ZINC001085093723 1258587942 /nfs/dbraw/zinc/58/79/42/1258587942.db2.gz YMDDNBOROIIFCF-MSOLQXFVSA-N 2 1 360.506 0.914 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001085159314 1258611332 /nfs/dbraw/zinc/61/13/32/1258611332.db2.gz PDFBSOOOXULOGS-KURKYZTESA-N 2 1 363.506 0.793 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001085159314 1258611340 /nfs/dbraw/zinc/61/13/40/1258611340.db2.gz PDFBSOOOXULOGS-KURKYZTESA-N 2 1 363.506 0.793 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207010 1258730123 /nfs/dbraw/zinc/73/01/23/1258730123.db2.gz QCULMUUXJIBOEB-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207010 1258730128 /nfs/dbraw/zinc/73/01/28/1258730128.db2.gz QCULMUUXJIBOEB-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207010 1258730130 /nfs/dbraw/zinc/73/01/30/1258730130.db2.gz QCULMUUXJIBOEB-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)CC[C@@H]3C2)C1 ZINC001088207010 1258730136 /nfs/dbraw/zinc/73/01/36/1258730136.db2.gz QCULMUUXJIBOEB-FGTMMUONSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212583 1258734322 /nfs/dbraw/zinc/73/43/22/1258734322.db2.gz ASTWUAVNTAZVLK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212583 1258734328 /nfs/dbraw/zinc/73/43/28/1258734328.db2.gz ASTWUAVNTAZVLK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212583 1258734330 /nfs/dbraw/zinc/73/43/30/1258734330.db2.gz ASTWUAVNTAZVLK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088212583 1258734334 /nfs/dbraw/zinc/73/43/34/1258734334.db2.gz ASTWUAVNTAZVLK-SOLBZPMBSA-N 2 1 360.506 0.970 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944371 1258767565 /nfs/dbraw/zinc/76/75/65/1258767565.db2.gz CIFAUSYCKLEPAF-IXDOHACOSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944371 1258767570 /nfs/dbraw/zinc/76/75/70/1258767570.db2.gz CIFAUSYCKLEPAF-IXDOHACOSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944371 1258767573 /nfs/dbraw/zinc/76/75/73/1258767573.db2.gz CIFAUSYCKLEPAF-IXDOHACOSA-N 2 1 369.506 0.339 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944371 1258767581 /nfs/dbraw/zinc/76/75/81/1258767581.db2.gz CIFAUSYCKLEPAF-IXDOHACOSA-N 2 1 369.506 0.339 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671315 1258813099 /nfs/dbraw/zinc/81/30/99/1258813099.db2.gz HQZCCCMGPKBMGV-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671315 1258813102 /nfs/dbraw/zinc/81/31/02/1258813102.db2.gz HQZCCCMGPKBMGV-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092671315 1258813103 /nfs/dbraw/zinc/81/31/03/1258813103.db2.gz HQZCCCMGPKBMGV-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720970 1258817871 /nfs/dbraw/zinc/81/78/71/1258817871.db2.gz AWYRVVRDIZIIRJ-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720970 1258817879 /nfs/dbraw/zinc/81/78/79/1258817879.db2.gz AWYRVVRDIZIIRJ-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782052 1258844107 /nfs/dbraw/zinc/84/41/07/1258844107.db2.gz CRCKCPDNFVEOPN-FRFSOERESA-N 2 1 355.442 0.863 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782216 1258845037 /nfs/dbraw/zinc/84/50/37/1258845037.db2.gz HVRPURJCYRGSEW-GDBMZVCRSA-N 2 1 370.457 0.657 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828163 1258857741 /nfs/dbraw/zinc/85/77/41/1258857741.db2.gz HOGLTRKRKCBGOL-XNRPHZJLSA-N 2 1 369.425 0.437 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331433015 1266215783 /nfs/dbraw/zinc/21/57/83/1266215783.db2.gz YGHHSUYIDCIQQC-QZTJIDSGSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092842610 1258865545 /nfs/dbraw/zinc/86/55/45/1258865545.db2.gz GSOISGKXXLPQBP-OHDZGACESA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092842610 1258865553 /nfs/dbraw/zinc/86/55/53/1258865553.db2.gz GSOISGKXXLPQBP-OHDZGACESA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001092842610 1258865563 /nfs/dbraw/zinc/86/55/63/1258865563.db2.gz GSOISGKXXLPQBP-OHDZGACESA-N 2 1 371.485 0.524 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001092842610 1258865573 /nfs/dbraw/zinc/86/55/73/1258865573.db2.gz GSOISGKXXLPQBP-OHDZGACESA-N 2 1 371.485 0.524 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106593450 1258927171 /nfs/dbraw/zinc/92/71/71/1258927171.db2.gz FKWLUQSMRUJORZ-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106666549 1258936973 /nfs/dbraw/zinc/93/69/73/1258936973.db2.gz NYHICNKHCNMGQG-SPYBWZPUSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)C1 ZINC001106666773 1258937186 /nfs/dbraw/zinc/93/71/86/1258937186.db2.gz ULFZAKVPVAAENT-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665452 1258937365 /nfs/dbraw/zinc/93/73/65/1258937365.db2.gz XAVPQECDAGFKMD-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106765616 1258957507 /nfs/dbraw/zinc/95/75/07/1258957507.db2.gz LYPQVORZXKDKCS-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)C(C)C ZINC001106779075 1258961537 /nfs/dbraw/zinc/96/15/37/1258961537.db2.gz WFNAXNUANXHIQW-INMHGKMJSA-N 2 1 365.526 0.761 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106905425 1258992789 /nfs/dbraw/zinc/99/27/89/1258992789.db2.gz OZGWJMHYJBUDOU-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1 ZINC001106910828 1258994687 /nfs/dbraw/zinc/99/46/87/1258994687.db2.gz QMTCALJTIHUARJ-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1 ZINC001106910828 1258994696 /nfs/dbraw/zinc/99/46/96/1258994696.db2.gz QMTCALJTIHUARJ-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)C1 ZINC001107012279 1259017070 /nfs/dbraw/zinc/01/70/70/1259017070.db2.gz MRRONUFJLRCYLW-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)C1 ZINC001107012279 1259017078 /nfs/dbraw/zinc/01/70/78/1259017078.db2.gz MRRONUFJLRCYLW-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCNC(=O)C1CC1)CC2 ZINC001107329404 1259055141 /nfs/dbraw/zinc/05/51/41/1259055141.db2.gz SSYNXAMGLSJVFG-SQGPQFPESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2 ZINC001107329404 1259055146 /nfs/dbraw/zinc/05/51/46/1259055146.db2.gz SSYNXAMGLSJVFG-SQGPQFPESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNC(=O)C1CC1)CC2 ZINC001107329404 1259055151 /nfs/dbraw/zinc/05/51/51/1259055151.db2.gz SSYNXAMGLSJVFG-SQGPQFPESA-N 2 1 362.518 0.968 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343071 1259057238 /nfs/dbraw/zinc/05/72/38/1259057238.db2.gz JWNNVPXVCJTNAZ-YQVWRLOYSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343071 1259057243 /nfs/dbraw/zinc/05/72/43/1259057243.db2.gz JWNNVPXVCJTNAZ-YQVWRLOYSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343071 1259057248 /nfs/dbraw/zinc/05/72/48/1259057248.db2.gz JWNNVPXVCJTNAZ-YQVWRLOYSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343071 1259057252 /nfs/dbraw/zinc/05/72/52/1259057252.db2.gz JWNNVPXVCJTNAZ-YQVWRLOYSA-N 2 1 369.506 0.341 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[C@H]1C[NH+]2CCC1CC2 ZINC001107409591 1259079643 /nfs/dbraw/zinc/07/96/43/1259079643.db2.gz ZVERXOVMCLBBAY-NLWGTHIKSA-N 2 1 365.518 0.698 20 0 FCADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2)[NH+](C)C ZINC001107451563 1259091732 /nfs/dbraw/zinc/09/17/32/1259091732.db2.gz XAQKMTLVEOHUDU-GPMSIDNRSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107533741 1259110349 /nfs/dbraw/zinc/11/03/49/1259110349.db2.gz DEWUMMJIBFBNMW-DDUZABMNSA-N 2 1 367.494 0.128 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC001107534205 1259110668 /nfs/dbraw/zinc/11/06/68/1259110668.db2.gz GPBGZMLMVYGMHE-DNVCBOLYSA-N 2 1 364.490 0.448 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107583259 1259125275 /nfs/dbraw/zinc/12/52/75/1259125275.db2.gz SRWXXCJFZKPZEX-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP Cn1cncc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609349 1259132688 /nfs/dbraw/zinc/13/26/88/1259132688.db2.gz OPJMAKBQPAOKRU-IEBWSBKVSA-N 2 1 363.506 0.859 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)nn1 ZINC001107609213 1259132797 /nfs/dbraw/zinc/13/27/97/1259132797.db2.gz IWDIGHVVNYQVFY-SJLPKXTDSA-N 2 1 364.494 0.254 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)nn1 ZINC001107609213 1259132800 /nfs/dbraw/zinc/13/28/00/1259132800.db2.gz IWDIGHVVNYQVFY-SJLPKXTDSA-N 2 1 364.494 0.254 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406162 1259159874 /nfs/dbraw/zinc/15/98/74/1259159874.db2.gz PYYCGKRLPRWMDL-LTIDMASMSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406162 1259159876 /nfs/dbraw/zinc/15/98/76/1259159876.db2.gz PYYCGKRLPRWMDL-LTIDMASMSA-N 2 1 365.522 0.756 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC001127638217 1259182877 /nfs/dbraw/zinc/18/28/77/1259182877.db2.gz HSMGZEJHZUVFOZ-ZIAGYGMSSA-N 2 1 358.442 0.329 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644062 1259183119 /nfs/dbraw/zinc/18/31/19/1259183119.db2.gz STCXFYQUKLXMCR-IIAWOOMASA-N 2 1 364.465 0.876 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nnnn1-c1ccccc1 ZINC001127659593 1259183793 /nfs/dbraw/zinc/18/37/93/1259183793.db2.gz HEWURPZKMPDUSH-SQWLQELKSA-N 2 1 357.462 0.769 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nnnn1-c1ccccc1 ZINC001127659593 1259183796 /nfs/dbraw/zinc/18/37/96/1259183796.db2.gz HEWURPZKMPDUSH-SQWLQELKSA-N 2 1 357.462 0.769 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060096 1259301404 /nfs/dbraw/zinc/30/14/04/1259301404.db2.gz KATVBSHZKHWKMA-IKGGRYGDSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001129103062 1259314398 /nfs/dbraw/zinc/31/43/98/1259314398.db2.gz CFVAPHQTRPPIPQ-SJORKVTESA-N 2 1 369.429 0.618 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001129103062 1259314403 /nfs/dbraw/zinc/31/44/03/1259314403.db2.gz CFVAPHQTRPPIPQ-SJORKVTESA-N 2 1 369.429 0.618 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276591 1259362929 /nfs/dbraw/zinc/36/29/29/1259362929.db2.gz MVEOZDXBGROVKM-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276591 1259362934 /nfs/dbraw/zinc/36/29/34/1259362934.db2.gz MVEOZDXBGROVKM-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276715 1259363250 /nfs/dbraw/zinc/36/32/50/1259363250.db2.gz SNEIXZZHJZOFAZ-IKGGRYGDSA-N 2 1 366.510 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001200547503 1259415965 /nfs/dbraw/zinc/41/59/65/1259415965.db2.gz OBCQORDENITGIL-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP CCCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786592 1259420566 /nfs/dbraw/zinc/42/05/66/1259420566.db2.gz HCMSOJODAJUGKD-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786592 1259420572 /nfs/dbraw/zinc/42/05/72/1259420572.db2.gz HCMSOJODAJUGKD-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408504 1259494022 /nfs/dbraw/zinc/49/40/22/1259494022.db2.gz SZNAVIWASAFBIN-GVDBMIGSSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408504 1259494024 /nfs/dbraw/zinc/49/40/24/1259494024.db2.gz SZNAVIWASAFBIN-GVDBMIGSSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410044 1259494665 /nfs/dbraw/zinc/49/46/65/1259494665.db2.gz MRHPNQHGPNSMII-JFIYKMOQSA-N 2 1 362.474 0.041 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410044 1259494671 /nfs/dbraw/zinc/49/46/71/1259494671.db2.gz MRHPNQHGPNSMII-JFIYKMOQSA-N 2 1 362.474 0.041 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418261 1259497602 /nfs/dbraw/zinc/49/76/02/1259497602.db2.gz GDOIVIITPJTGMZ-RCCFBDPRSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418261 1259497605 /nfs/dbraw/zinc/49/76/05/1259497605.db2.gz GDOIVIITPJTGMZ-RCCFBDPRSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418261 1259497609 /nfs/dbraw/zinc/49/76/09/1259497609.db2.gz GDOIVIITPJTGMZ-RCCFBDPRSA-N 2 1 371.522 0.320 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215536102 1259534519 /nfs/dbraw/zinc/53/45/19/1259534519.db2.gz IKGLQCVCZADEII-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP c1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc(OCCN2CCOCC2)c1 ZINC001234985651 1259565757 /nfs/dbraw/zinc/56/57/57/1259565757.db2.gz DERJNZKOQGTKML-FQEVSTJZSA-N 2 1 360.502 0.535 20 0 FCADMP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCCO[C@@]3(CNCCOC3)C2)c1 ZINC001235198371 1259569147 /nfs/dbraw/zinc/56/91/47/1259569147.db2.gz DLANSDFARIAGJW-FQEVSTJZSA-N 2 1 360.502 0.677 20 0 FCADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCO[C@@]3(CNCCOC3)C2)c1 ZINC001235198371 1259569151 /nfs/dbraw/zinc/56/91/51/1259569151.db2.gz DLANSDFARIAGJW-FQEVSTJZSA-N 2 1 360.502 0.677 20 0 FCADMP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@@H+](CCCC[NH3+])C1 ZINC001235581412 1259578561 /nfs/dbraw/zinc/57/85/61/1259578561.db2.gz LBQNJSUDVRZRCN-IBGZPJMESA-N 2 1 361.490 0.834 20 0 FCADMP C[C@H]1CN(c2ccc(-c3cnc(N4CC[NH+](C)CC4)nc3)nn2)CC[NH2+]1 ZINC001235914741 1259585093 /nfs/dbraw/zinc/58/50/93/1259585093.db2.gz RSRWUCSCYKCJJL-AWEZNQCLSA-N 2 1 354.462 0.484 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccc(O[C@@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC001235916832 1259585652 /nfs/dbraw/zinc/58/56/52/1259585652.db2.gz TXBQDXMYQQHNRG-OAHLLOKOSA-N 2 1 355.446 0.816 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1 ZINC001236029203 1259587846 /nfs/dbraw/zinc/58/78/46/1259587846.db2.gz JZWQUVKZAFHAKX-KEIZMWOVSA-N 2 1 360.414 0.094 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(OCC(N)=O)cc3)C[C@H]1C2 ZINC001236028841 1259587893 /nfs/dbraw/zinc/58/78/93/1259587893.db2.gz XCTJMMIEHSCVAB-ASKNOMKYSA-N 2 1 373.453 0.381 20 0 FCADMP [NH3+]C1CCN(C2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)CC1 ZINC001236582758 1259591087 /nfs/dbraw/zinc/59/10/87/1259591087.db2.gz ILLIMCCTDUIRJF-UHFFFAOYSA-N 3 1 358.534 0.879 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](Cc1cccc3c[nH+]cn31)C[C@H]2C(=O)N(C)C ZINC001238117071 1259614203 /nfs/dbraw/zinc/61/42/03/1259614203.db2.gz UZTKRBNRISGMCY-KRWDZBQOSA-N 2 1 355.442 0.703 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1cccc3c[nH+]cn31)C[C@H]2C(=O)N(C)C ZINC001238117071 1259614214 /nfs/dbraw/zinc/61/42/14/1259614214.db2.gz UZTKRBNRISGMCY-KRWDZBQOSA-N 2 1 355.442 0.703 20 0 FCADMP COc1ccoc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001237864368 1259615432 /nfs/dbraw/zinc/61/54/32/1259615432.db2.gz AIJXRWNLDJZQHZ-UHFFFAOYSA-N 2 1 364.490 0.958 20 0 FCADMP COc1ccc(C2([NH2+]C[C@@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)cc1 ZINC001245996254 1259642922 /nfs/dbraw/zinc/64/29/22/1259642922.db2.gz LSPRSJXIBAPQHN-KRWDZBQOSA-N 3 1 363.502 0.729 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246033345 1259644871 /nfs/dbraw/zinc/64/48/71/1259644871.db2.gz IJYDHFBEHKCXQP-ZNLIYNOOSA-N 3 1 367.440 0.648 20 0 FCADMP COC(=O)[C@H](N)[C@@H]1CCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052916 1259645907 /nfs/dbraw/zinc/64/59/07/1259645907.db2.gz MKMSRHNVUWFSBC-VJUNAUMWSA-N 2 1 371.428 0.408 20 0 FCADMP COC(=O)[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052916 1259645917 /nfs/dbraw/zinc/64/59/17/1259645917.db2.gz MKMSRHNVUWFSBC-VJUNAUMWSA-N 2 1 371.428 0.408 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001335415590 1259653648 /nfs/dbraw/zinc/65/36/48/1259653648.db2.gz AMYHZVNNFAWTLM-YQQAZPJKSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641720 1259657381 /nfs/dbraw/zinc/65/73/81/1259657381.db2.gz XJGOTZWYLOFZMH-RBSFLKMASA-N 2 1 374.489 0.429 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641720 1259657390 /nfs/dbraw/zinc/65/73/90/1259657390.db2.gz XJGOTZWYLOFZMH-RBSFLKMASA-N 2 1 374.489 0.429 20 0 FCADMP COc1ccc(CN2CC[C@@H]([N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2=O)c(OC)c1 ZINC001246569675 1259657778 /nfs/dbraw/zinc/65/77/78/1259657778.db2.gz RPOPILHWPJNJDY-DJIMGWMZSA-N 2 1 363.458 0.589 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429974 1259660709 /nfs/dbraw/zinc/66/07/09/1259660709.db2.gz IUSBSWUNOIZGLF-HOTGVXAUSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429976 1259661226 /nfs/dbraw/zinc/66/12/26/1259661226.db2.gz IUSBSWUNOIZGLF-HZPDHXFCSA-N 2 1 353.511 0.080 20 0 FCADMP O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCCO1 ZINC001246693948 1259662531 /nfs/dbraw/zinc/66/25/31/1259662531.db2.gz KCRYVBLPIKYERN-VQHPVUNQSA-N 2 1 364.490 0.256 20 0 FCADMP c1cnc(N2CC[C@@]3(C2)COCC[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246718760 1259668691 /nfs/dbraw/zinc/66/86/91/1259668691.db2.gz ZMKZHDRPBSUAPI-FUHWJXTLSA-N 2 1 358.490 0.099 20 0 FCADMP CNC(=O)[C@]12C[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733010 1259672518 /nfs/dbraw/zinc/67/25/18/1259672518.db2.gz CPGWSPWJAUNENH-YYAJDYIMSA-N 2 1 358.490 0.634 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741001 1259674188 /nfs/dbraw/zinc/67/41/88/1259674188.db2.gz WRTPJQKQAUQXBI-PASDCYSWSA-N 2 1 359.474 0.970 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745168 1259677065 /nfs/dbraw/zinc/67/70/65/1259677065.db2.gz MQYPUTBDAMGKGK-AXVVYFOYSA-N 2 1 372.517 0.976 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]21)c1cnccn1 ZINC001246753546 1259678887 /nfs/dbraw/zinc/67/88/87/1259678887.db2.gz GKRUZNBODDTOOO-WWXPTJGASA-N 2 1 371.485 0.826 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]21)c1cnccn1 ZINC001246753546 1259678896 /nfs/dbraw/zinc/67/88/96/1259678896.db2.gz GKRUZNBODDTOOO-WWXPTJGASA-N 2 1 371.485 0.826 20 0 FCADMP c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246766297 1259687684 /nfs/dbraw/zinc/68/76/84/1259687684.db2.gz MONOWEGBNPQOPS-HZMVEIRTSA-N 2 1 359.474 0.429 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1=O ZINC001335498704 1259687827 /nfs/dbraw/zinc/68/78/27/1259687827.db2.gz QWPFASLNGDGYOU-DLBZAZTESA-N 2 1 353.438 0.628 20 0 FCADMP CCOC(=O)N1CCC([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246857441 1259692581 /nfs/dbraw/zinc/69/25/81/1259692581.db2.gz HKMROGWVVMMKFR-DEWZPKMOSA-N 2 1 365.474 0.938 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891332 1259693917 /nfs/dbraw/zinc/69/39/17/1259693917.db2.gz ANPMWVIIRXYNFC-ROUUACIJSA-N 2 1 358.486 0.440 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246891332 1259693921 /nfs/dbraw/zinc/69/39/21/1259693921.db2.gz ANPMWVIIRXYNFC-ROUUACIJSA-N 2 1 358.486 0.440 20 0 FCADMP CN1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)CN3CCOCC3)c2)CC1 ZINC001251035868 1259734282 /nfs/dbraw/zinc/73/42/82/1259734282.db2.gz PZCAEPWKMKWFQV-FQEVSTJZSA-N 2 1 362.518 0.217 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001335607662 1259739779 /nfs/dbraw/zinc/73/97/79/1259739779.db2.gz RECUXBYEFBGZTM-DLBZAZTESA-N 2 1 366.506 0.651 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416475 1259785316 /nfs/dbraw/zinc/78/53/16/1259785316.db2.gz YEZBTOHGMHZCJM-IAGOWNOFSA-N 2 1 363.458 0.671 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335710703 1259798509 /nfs/dbraw/zinc/79/85/09/1259798509.db2.gz CSSIUCXMNVUFNR-WRWLIDTKSA-N 2 1 374.485 0.030 20 0 FCADMP COC(=O)[C@H](Cc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943225 1259813456 /nfs/dbraw/zinc/81/34/56/1259813456.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 1 358.442 0.720 20 0 FCADMP COC(=O)[C@H](Cc1cnc[nH]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943225 1259813459 /nfs/dbraw/zinc/81/34/59/1259813459.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 1 358.442 0.720 20 0 FCADMP COC(=O)[C@H](Cc1cnc[nH]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943225 1259813472 /nfs/dbraw/zinc/81/34/72/1259813472.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 1 358.442 0.720 20 0 FCADMP O=C1NC(=O)C2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931855 1259813574 /nfs/dbraw/zinc/81/35/74/1259813574.db2.gz OEKIYSUXHNSOAC-GOSISDBHSA-N 2 1 358.442 0.297 20 0 FCADMP O=C1NC(=O)C2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931855 1259813580 /nfs/dbraw/zinc/81/35/80/1259813580.db2.gz OEKIYSUXHNSOAC-GOSISDBHSA-N 2 1 358.442 0.297 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001253186096 1259829206 /nfs/dbraw/zinc/82/92/06/1259829206.db2.gz WLHRGOBXXKXJQX-SJORKVTESA-N 2 1 370.538 0.831 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186205 1259829586 /nfs/dbraw/zinc/82/95/86/1259829586.db2.gz MGKZTDGTFIXELX-IEBWSBKVSA-N 2 1 361.490 0.998 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186205 1259829589 /nfs/dbraw/zinc/82/95/89/1259829589.db2.gz MGKZTDGTFIXELX-IEBWSBKVSA-N 2 1 361.490 0.998 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC001253448540 1259839229 /nfs/dbraw/zinc/83/92/29/1259839229.db2.gz OERXCMROSFPLDU-KRWDZBQOSA-N 2 1 365.518 0.987 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790058 1259841270 /nfs/dbraw/zinc/84/12/70/1259841270.db2.gz HIJMKARNSJAZIG-HIFRSBDPSA-N 2 1 370.494 0.157 20 0 FCADMP C[N@@H+](CCO)CCC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253915127 1259864174 /nfs/dbraw/zinc/86/41/74/1259864174.db2.gz KDFMNZXZQOCSMS-DLBZAZTESA-N 2 1 369.416 0.410 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331847313 1266294435 /nfs/dbraw/zinc/29/44/35/1266294435.db2.gz XKWFGPSYSLHZGT-IYBDPMFKSA-N 2 1 359.478 0.135 20 0 FCADMP C[N@H+]1CC[C@@H](N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)C1 ZINC001255434894 1259913205 /nfs/dbraw/zinc/91/32/05/1259913205.db2.gz WYNXSWRPIVNTLI-LJQANCHMSA-N 2 1 364.534 0.726 20 0 FCADMP C[N@H+](C[C@@H](O)CNCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001335950401 1259915700 /nfs/dbraw/zinc/91/57/00/1259915700.db2.gz INZRNXVJWZTWJE-IBGZPJMESA-N 2 1 360.502 0.376 20 0 FCADMP C[N@@H+](C[C@@H](O)CNCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001335950401 1259915705 /nfs/dbraw/zinc/91/57/05/1259915705.db2.gz INZRNXVJWZTWJE-IBGZPJMESA-N 2 1 360.502 0.376 20 0 FCADMP Cn1nnc2c1CCN([C@@H]1CCC[N@@H+](C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001255490560 1259915879 /nfs/dbraw/zinc/91/58/79/1259915879.db2.gz UGXIINJBSLQNOC-SJLPKXTDSA-N 2 1 362.522 0.921 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255898632 1259927924 /nfs/dbraw/zinc/92/79/24/1259927924.db2.gz XBQRODPGSQUVIS-OLZOCXBDSA-N 2 1 371.482 0.780 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335994500 1259935204 /nfs/dbraw/zinc/93/52/04/1259935204.db2.gz PCKVRCOUWSFIBQ-UHFFFAOYSA-N 2 1 355.523 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174625 1260025419 /nfs/dbraw/zinc/02/54/19/1260025419.db2.gz FMWKBYXIXZAOPH-CVEARBPZSA-N 2 1 368.522 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174627 1260025518 /nfs/dbraw/zinc/02/55/18/1260025518.db2.gz FMWKBYXIXZAOPH-HZPDHXFCSA-N 2 1 368.522 0.632 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270983 1260064104 /nfs/dbraw/zinc/06/41/04/1260064104.db2.gz IBAUGCVIAWQKGH-URLQWDBASA-N 2 1 360.458 0.608 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273843 1260064602 /nfs/dbraw/zinc/06/46/02/1260064602.db2.gz VFPKWXWNOBKXEE-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC001261452306 1260140932 /nfs/dbraw/zinc/14/09/32/1260140932.db2.gz ZJFOFMVLMGRNIE-GOSISDBHSA-N 2 1 358.486 0.898 20 0 FCADMP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336857383 1260238942 /nfs/dbraw/zinc/23/89/42/1260238942.db2.gz CVAVIBAGOAGJSO-YYIAUSFCSA-N 2 1 363.506 0.511 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NCCOCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001336903978 1260250155 /nfs/dbraw/zinc/25/01/55/1260250155.db2.gz QOYGNCNVPKZBEY-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NCCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001336903978 1260250163 /nfs/dbraw/zinc/25/01/63/1260250163.db2.gz QOYGNCNVPKZBEY-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NCCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001336903978 1260250172 /nfs/dbraw/zinc/25/01/72/1260250172.db2.gz QOYGNCNVPKZBEY-IYBDPMFKSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001262095512 1260259518 /nfs/dbraw/zinc/25/95/18/1260259518.db2.gz VQXWALIIKZNGAJ-KSZLIROESA-N 2 1 367.538 0.470 20 0 FCADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337078530 1260303430 /nfs/dbraw/zinc/30/34/30/1260303430.db2.gz YWYYEXFABWRZJS-SJORKVTESA-N 2 1 354.539 0.923 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263101111 1260341155 /nfs/dbraw/zinc/34/11/55/1260341155.db2.gz IRQPIUSCVGPHHV-VQIMIIECSA-N 2 1 361.490 0.213 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001265478898 1260414138 /nfs/dbraw/zinc/41/41/38/1260414138.db2.gz SITBMRCACXZXHQ-DRXUAVOGSA-N 2 1 362.474 0.861 20 0 FCADMP c1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@H+]2CCCOCC2)n1 ZINC001337847474 1260498534 /nfs/dbraw/zinc/49/85/34/1260498534.db2.gz UZZAUEXNUMMUMR-UHFFFAOYSA-N 2 1 365.482 0.140 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC2(C1)CCC[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001278472014 1260696015 /nfs/dbraw/zinc/69/60/15/1260696015.db2.gz ZGEKWHWBOOZBMR-SJORKVTESA-N 2 1 360.502 0.674 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001278478957 1260697964 /nfs/dbraw/zinc/69/79/64/1260697964.db2.gz GKDDAVFFNFEZRO-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP COC(=O)c1ccc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)nc1 ZINC001278628400 1260714460 /nfs/dbraw/zinc/71/44/60/1260714460.db2.gz SSBWJCJIAHEIRY-UHFFFAOYSA-N 2 1 360.458 0.854 20 0 FCADMP c1cn(CCN2CCO[C@H]3C[N@@H+](Cc4c[nH]c5ncncc45)C[C@H]32)cn1 ZINC001278887720 1260751048 /nfs/dbraw/zinc/75/10/48/1260751048.db2.gz FPGWYEFHWIROAB-SJORKVTESA-N 2 1 353.430 0.691 20 0 FCADMP c1cn(CCN2CCO[C@H]3CN(Cc4c[nH]c5ncncc45)C[C@H]32)cn1 ZINC001278887720 1260751050 /nfs/dbraw/zinc/75/10/50/1260751050.db2.gz FPGWYEFHWIROAB-SJORKVTESA-N 2 1 353.430 0.691 20 0 FCADMP COC(=O)c1ccnc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)c1 ZINC001279342792 1260844184 /nfs/dbraw/zinc/84/41/84/1260844184.db2.gz CWCVQDNODZDFQF-HZPDHXFCSA-N 2 1 358.442 0.510 20 0 FCADMP COC(=O)c1ccnc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)c1 ZINC001279342792 1260844207 /nfs/dbraw/zinc/84/42/07/1260844207.db2.gz CWCVQDNODZDFQF-HZPDHXFCSA-N 2 1 358.442 0.510 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2cccc(=O)[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279424688 1260867032 /nfs/dbraw/zinc/86/70/32/1260867032.db2.gz ZXIDGRVZRWSTFZ-LJQANCHMSA-N 2 1 361.490 0.505 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(=O)[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279424688 1260867036 /nfs/dbraw/zinc/86/70/36/1260867036.db2.gz ZXIDGRVZRWSTFZ-LJQANCHMSA-N 2 1 361.490 0.505 20 0 FCADMP Cc1nccc(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)n1 ZINC001279572418 1260895551 /nfs/dbraw/zinc/89/55/51/1260895551.db2.gz CNXHCLGBWCJPCI-LJQANCHMSA-N 2 1 360.506 0.503 20 0 FCADMP Cc1nccc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)n1 ZINC001279572418 1260895555 /nfs/dbraw/zinc/89/55/55/1260895555.db2.gz CNXHCLGBWCJPCI-LJQANCHMSA-N 2 1 360.506 0.503 20 0 FCADMP COCCOCN1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279614717 1260898778 /nfs/dbraw/zinc/89/87/78/1260898778.db2.gz ASWGWCCDDMOYNF-IBGZPJMESA-N 2 1 368.522 0.263 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(-n4cncn4)c3)C[C@H]21 ZINC001279675554 1260913189 /nfs/dbraw/zinc/91/31/89/1260913189.db2.gz UKAJFJBBQIKUPL-MOPGFXCFSA-N 2 1 356.474 0.714 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]12 ZINC001279892310 1260953498 /nfs/dbraw/zinc/95/34/98/1260953498.db2.gz PLQOLFMYFYHVFO-DLBZAZTESA-N 2 1 366.506 0.900 20 0 FCADMP C[NH+]1CCN(C(=O)CN2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)CC1 ZINC001280075009 1260991686 /nfs/dbraw/zinc/99/16/86/1260991686.db2.gz UNNVZUIHEUZIHU-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+]1CCN(C(=O)CN2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)CC1 ZINC001280075009 1260991690 /nfs/dbraw/zinc/99/16/90/1260991690.db2.gz UNNVZUIHEUZIHU-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC001280093629 1261000386 /nfs/dbraw/zinc/00/03/86/1261000386.db2.gz RVVGYWIZRUASJU-HOTGVXAUSA-N 2 1 357.458 0.187 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(CN(CC4CC[NH2+]CC4)C3)O2)CC1 ZINC001280134997 1261013410 /nfs/dbraw/zinc/01/34/10/1261013410.db2.gz IKJJKVGIIRTONN-SFHVURJKSA-N 2 1 364.534 0.772 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332341730 1266381531 /nfs/dbraw/zinc/38/15/31/1266381531.db2.gz RJVMSAIXXCCGJM-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP CCNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280215141 1261035826 /nfs/dbraw/zinc/03/58/26/1261035826.db2.gz KWGSYAIFJJETJD-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@H+](Cc4c[nH]cn4)C[C@@H]3O2)CC1 ZINC001280341985 1261059534 /nfs/dbraw/zinc/05/95/34/1261059534.db2.gz SMGCYYATUIJRON-OLMNPRSZSA-N 2 1 361.490 0.942 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4c[nH]cn4)C[C@@H]3O2)CC1 ZINC001280341985 1261059537 /nfs/dbraw/zinc/05/95/37/1261059537.db2.gz SMGCYYATUIJRON-OLMNPRSZSA-N 2 1 361.490 0.942 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001281841476 1261225566 /nfs/dbraw/zinc/22/55/66/1261225566.db2.gz BKZHRDWNISRTHZ-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001281841476 1261225570 /nfs/dbraw/zinc/22/55/70/1261225570.db2.gz BKZHRDWNISRTHZ-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001281841476 1261225574 /nfs/dbraw/zinc/22/55/74/1261225574.db2.gz BKZHRDWNISRTHZ-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580322849 1278124246 /nfs/dbraw/zinc/12/42/46/1278124246.db2.gz WEMYAPIMQNUYIH-MGPQQGTHSA-N 2 1 370.461 0.142 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001289119694 1262114756 /nfs/dbraw/zinc/11/47/56/1262114756.db2.gz HFLHLWWFDIKDLC-HZPDHXFCSA-N 2 1 359.430 0.206 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C[C@@H]1O ZINC001289696805 1262312592 /nfs/dbraw/zinc/31/25/92/1262312592.db2.gz UQSZRMZTBBDOLU-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@@H]1O ZINC001289696805 1262312595 /nfs/dbraw/zinc/31/25/95/1262312595.db2.gz UQSZRMZTBBDOLU-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@@H]1O ZINC001289696805 1262312600 /nfs/dbraw/zinc/31/26/00/1262312600.db2.gz UQSZRMZTBBDOLU-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001290527895 1262464186 /nfs/dbraw/zinc/46/41/86/1262464186.db2.gz LZVQSRJEYKFQNE-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001290527895 1262464190 /nfs/dbraw/zinc/46/41/90/1262464190.db2.gz LZVQSRJEYKFQNE-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580353877 1278154595 /nfs/dbraw/zinc/15/45/95/1278154595.db2.gz BPKMBYVGGGCUSS-MBNYWOFBSA-N 2 1 356.434 0.154 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580353877 1278154599 /nfs/dbraw/zinc/15/45/99/1278154599.db2.gz BPKMBYVGGGCUSS-MBNYWOFBSA-N 2 1 356.434 0.154 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312142002 1263273817 /nfs/dbraw/zinc/27/38/17/1263273817.db2.gz VSVFVRFJWNHQFH-KRWDZBQOSA-N 2 1 367.538 0.912 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001479668059 1263325035 /nfs/dbraw/zinc/32/50/35/1263325035.db2.gz GZCSSHKPWBWAPV-IXDOHACOSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001479887398 1263412799 /nfs/dbraw/zinc/41/27/99/1263412799.db2.gz KFAMEDIAINWIHE-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001479887398 1263412803 /nfs/dbraw/zinc/41/28/03/1263412803.db2.gz KFAMEDIAINWIHE-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001483880319 1263450162 /nfs/dbraw/zinc/45/01/62/1263450162.db2.gz LMVDWVAOXFYRKL-OTWHNJEPSA-N 2 1 361.486 0.482 20 0 FCADMP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001483880319 1263450169 /nfs/dbraw/zinc/45/01/69/1263450169.db2.gz LMVDWVAOXFYRKL-OTWHNJEPSA-N 2 1 361.486 0.482 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317394212 1263510059 /nfs/dbraw/zinc/51/00/59/1263510059.db2.gz YRDIMQLFWXGMOI-NILFDRSVSA-N 2 1 364.494 0.790 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCNC(=O)C2CC2)C3)CC[N@H+]1C ZINC001485663001 1263512089 /nfs/dbraw/zinc/51/20/89/1263512089.db2.gz QDYBHAVSJIFCKR-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCNC(=O)C2CC2)C3)CC[NH+]1C ZINC001485663001 1263512094 /nfs/dbraw/zinc/51/20/94/1263512094.db2.gz QDYBHAVSJIFCKR-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCNC(=O)C2CC2)C3)CC[NH+]1C ZINC001485663001 1263512098 /nfs/dbraw/zinc/51/20/98/1263512098.db2.gz QDYBHAVSJIFCKR-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001318870960 1263621599 /nfs/dbraw/zinc/62/15/99/1263621599.db2.gz JZWZENBGRYDIQF-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC[N@H+]1C ZINC001580389414 1278212908 /nfs/dbraw/zinc/21/29/08/1278212908.db2.gz DUARUTAGWCQPJK-CXKPUVAFSA-N 2 1 368.445 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001580389348 1278216349 /nfs/dbraw/zinc/21/63/49/1278216349.db2.gz BMOWDFINLXIJJL-BASLNEPJSA-N 2 1 369.473 0.944 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001322688903 1264242569 /nfs/dbraw/zinc/24/25/69/1264242569.db2.gz RGASESAVHXDASR-DLBZAZTESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322958164 1264301657 /nfs/dbraw/zinc/30/16/57/1264301657.db2.gz OQLGDSYQCBKQGC-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322958164 1264301667 /nfs/dbraw/zinc/30/16/67/1264301667.db2.gz OQLGDSYQCBKQGC-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001325378017 1264865630 /nfs/dbraw/zinc/86/56/30/1264865630.db2.gz BVIIERPLUSRWAE-HNNXBMFYSA-N 2 1 374.485 0.473 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001325495114 1264908885 /nfs/dbraw/zinc/90/88/85/1264908885.db2.gz SVBORYIAQOTAFB-IBGZPJMESA-N 2 1 360.458 0.404 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001513409536 1265107295 /nfs/dbraw/zinc/10/72/95/1265107295.db2.gz UCQYAZXOFYUHCE-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001513409536 1265107300 /nfs/dbraw/zinc/10/73/00/1265107300.db2.gz UCQYAZXOFYUHCE-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326421805 1265111744 /nfs/dbraw/zinc/11/17/44/1265111744.db2.gz WUVBHQZKPFWQOH-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326421805 1265111747 /nfs/dbraw/zinc/11/17/47/1265111747.db2.gz WUVBHQZKPFWQOH-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001514148895 1265327359 /nfs/dbraw/zinc/32/73/59/1265327359.db2.gz BYYWTPAHKYVZDT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001514148895 1265327369 /nfs/dbraw/zinc/32/73/69/1265327369.db2.gz BYYWTPAHKYVZDT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001514148895 1265327377 /nfs/dbraw/zinc/32/73/77/1265327377.db2.gz BYYWTPAHKYVZDT-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001327465933 1265332243 /nfs/dbraw/zinc/33/22/43/1265332243.db2.gz RNIXEJJKFNRMSK-IRXDYDNUSA-N 2 1 367.538 0.118 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001524009212 1266675580 /nfs/dbraw/zinc/67/55/80/1266675580.db2.gz PQUFJFJTGWVUOB-IRXDYDNUSA-N 2 1 359.474 0.162 20 0 FCADMP C[NH+](C)CCN(Cc1ccccn1)c1nnnn1CCC[NH+]1CCOCC1 ZINC001333688721 1266679121 /nfs/dbraw/zinc/67/91/21/1266679121.db2.gz NYERIIJGIRRHSQ-UHFFFAOYSA-N 2 1 374.493 0.359 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccc2c1CC[NH2+]C2 ZINC001333732549 1266694478 /nfs/dbraw/zinc/69/44/78/1266694478.db2.gz NUZIADULJJTOLQ-GOSISDBHSA-N 2 1 372.513 0.859 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001528130970 1266947270 /nfs/dbraw/zinc/94/72/70/1266947270.db2.gz PHDGOXHGCCWQOU-JKSUJKDBSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001528130970 1266947289 /nfs/dbraw/zinc/94/72/89/1266947289.db2.gz PHDGOXHGCCWQOU-JKSUJKDBSA-N 2 1 355.527 0.155 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001528130970 1266947301 /nfs/dbraw/zinc/94/73/01/1266947301.db2.gz PHDGOXHGCCWQOU-JKSUJKDBSA-N 2 1 355.527 0.155 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001580447762 1278308594 /nfs/dbraw/zinc/30/85/94/1278308594.db2.gz FBWVLBXOXJELJK-AGIUHOORSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](n2nnnc2N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC001335012955 1267278024 /nfs/dbraw/zinc/27/80/24/1267278024.db2.gz LGXRZNSOSMJWJA-AWEZNQCLSA-N 2 1 351.499 0.611 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](n2nnnc2N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC001335012955 1267278030 /nfs/dbraw/zinc/27/80/30/1267278030.db2.gz LGXRZNSOSMJWJA-AWEZNQCLSA-N 2 1 351.499 0.611 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H](n2nnnc2N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC001335012955 1267278036 /nfs/dbraw/zinc/27/80/36/1267278036.db2.gz LGXRZNSOSMJWJA-AWEZNQCLSA-N 2 1 351.499 0.611 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001543445345 1267548919 /nfs/dbraw/zinc/54/89/19/1267548919.db2.gz XVLXPNJNWORRLR-UHFFFAOYSA-N 2 1 358.402 0.524 20 0 FCADMP CCc1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546534071 1267655433 /nfs/dbraw/zinc/65/54/33/1267655433.db2.gz PTCQUWUWIYFQRD-IBGZPJMESA-N 2 1 362.522 0.972 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)n2C ZINC001548998981 1267785699 /nfs/dbraw/zinc/78/56/99/1267785699.db2.gz YGTPWAHRZBISPI-NWANDNLSSA-N 2 1 372.473 0.752 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)n2C ZINC001548998981 1267785708 /nfs/dbraw/zinc/78/57/08/1267785708.db2.gz YGTPWAHRZBISPI-NWANDNLSSA-N 2 1 372.473 0.752 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1=O ZINC001549134806 1267820391 /nfs/dbraw/zinc/82/03/91/1267820391.db2.gz SAYFUSSZMFOUEO-AXVVYFOYSA-N 2 1 362.518 0.907 20 0 FCADMP C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338449509 1267944239 /nfs/dbraw/zinc/94/42/39/1267944239.db2.gz UMYFTNXOHFYZID-NXHRZFHOSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)Nc3c[nH]nc3[C@H]3CC[NH2+]C3)ccn2)CC1 ZINC001549732485 1267981797 /nfs/dbraw/zinc/98/17/97/1267981797.db2.gz UTFWGYMKNIKDDX-AWEZNQCLSA-N 2 1 355.446 0.886 20 0 FCADMP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001549742389 1267985468 /nfs/dbraw/zinc/98/54/68/1267985468.db2.gz TVTFCMBIMMGUKO-SJORKVTESA-N 2 1 354.458 0.931 20 0 FCADMP CC1(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)OCCO1 ZINC001338580541 1267993920 /nfs/dbraw/zinc/99/39/20/1267993920.db2.gz ADEGKIXUXBOILS-IYBDPMFKSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)cn1 ZINC001549838887 1268008257 /nfs/dbraw/zinc/00/82/57/1268008257.db2.gz ZZOQOADYDMHLOF-IRXDYDNUSA-N 2 1 361.490 0.818 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)cn1 ZINC001549838888 1268008831 /nfs/dbraw/zinc/00/88/31/1268008831.db2.gz ZZOQOADYDMHLOF-SJORKVTESA-N 2 1 361.490 0.818 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)n1 ZINC001550005403 1268045779 /nfs/dbraw/zinc/04/57/79/1268045779.db2.gz SGTSRMUYVASCDD-KZNAEPCWSA-N 2 1 374.533 0.865 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704224 1268053288 /nfs/dbraw/zinc/05/32/88/1268053288.db2.gz MTHXPGADVIOLEP-YOEHRIQHSA-N 2 1 350.463 0.409 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001550101994 1268073562 /nfs/dbraw/zinc/07/35/62/1268073562.db2.gz LZFRVQHIHAYXHT-GGPKGHCWSA-N 2 1 359.470 0.548 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001550101994 1268073572 /nfs/dbraw/zinc/07/35/72/1268073572.db2.gz LZFRVQHIHAYXHT-GGPKGHCWSA-N 2 1 359.470 0.548 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113303 1268075952 /nfs/dbraw/zinc/07/59/52/1268075952.db2.gz QVRDEXJDXXGSKH-MOPGFXCFSA-N 2 1 360.502 0.976 20 0 FCADMP Cn1nccc1[C@@H]1[C@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)CC(=O)N1C1CC1 ZINC001550133133 1268080218 /nfs/dbraw/zinc/08/02/18/1268080218.db2.gz LYWNKYUWYWHEQX-BEFAXECRSA-N 2 1 374.489 0.025 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](O)C2 ZINC001550478841 1268124311 /nfs/dbraw/zinc/12/43/11/1268124311.db2.gz XVXPPYQPEMUHRZ-DFEOGRTESA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001550480800 1268125655 /nfs/dbraw/zinc/12/56/55/1268125655.db2.gz QKYGIZUMFCYDLL-DFGXFYAUSA-N 2 1 350.463 0.946 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001550480800 1268125658 /nfs/dbraw/zinc/12/56/58/1268125658.db2.gz QKYGIZUMFCYDLL-DFGXFYAUSA-N 2 1 350.463 0.946 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](c3cnn(C)c3)C2)CC1 ZINC001551026180 1268193583 /nfs/dbraw/zinc/19/35/83/1268193583.db2.gz KSTXZIBWWUAOGI-AEFFLSMTSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@H](c3cnn(C)c3)C2)CC1 ZINC001551026180 1268193588 /nfs/dbraw/zinc/19/35/88/1268193588.db2.gz KSTXZIBWWUAOGI-AEFFLSMTSA-N 2 1 363.506 0.417 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001551099962 1268204045 /nfs/dbraw/zinc/20/40/45/1268204045.db2.gz KLTNRBPSSPTJSJ-VJANTYMQSA-N 2 1 365.518 0.791 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001551216127 1268213030 /nfs/dbraw/zinc/21/30/30/1268213030.db2.gz BOMFWWFRELKPOF-IPMKNSEASA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001551216127 1268213035 /nfs/dbraw/zinc/21/30/35/1268213035.db2.gz BOMFWWFRELKPOF-IPMKNSEASA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001551216127 1268213041 /nfs/dbraw/zinc/21/30/41/1268213041.db2.gz BOMFWWFRELKPOF-IPMKNSEASA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC001551216112 1268214143 /nfs/dbraw/zinc/21/41/43/1268214143.db2.gz BOMFWWFRELKPOF-FHWLQOOXSA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001551216112 1268214150 /nfs/dbraw/zinc/21/41/50/1268214150.db2.gz BOMFWWFRELKPOF-FHWLQOOXSA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001551216112 1268214157 /nfs/dbraw/zinc/21/41/57/1268214157.db2.gz BOMFWWFRELKPOF-FHWLQOOXSA-N 2 1 359.518 0.877 20 0 FCADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC001551229805 1268215087 /nfs/dbraw/zinc/21/50/87/1268215087.db2.gz RUTBSVIRKXDVAA-OKYOBFRVSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001551229805 1268215097 /nfs/dbraw/zinc/21/50/97/1268215097.db2.gz RUTBSVIRKXDVAA-OKYOBFRVSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001551229805 1268215106 /nfs/dbraw/zinc/21/51/06/1268215106.db2.gz RUTBSVIRKXDVAA-OKYOBFRVSA-N 2 1 358.486 0.792 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551283648 1268222294 /nfs/dbraw/zinc/22/22/94/1268222294.db2.gz USPFIETXCFXRHS-VMWRSERWSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464323 1268256930 /nfs/dbraw/zinc/25/69/30/1268256930.db2.gz NVQMCESNRYRHSG-PMPSAXMXSA-N 2 1 354.495 0.242 20 0 FCADMP CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@@H]3[NH2+]CC(=O)N[C@H]3C2)CC1 ZINC001551470288 1268258079 /nfs/dbraw/zinc/25/80/79/1268258079.db2.gz HNFLBVFCMAZMFG-IOSXPMGOSA-N 2 1 363.506 0.655 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)CC[C@H]21 ZINC001551556020 1268267573 /nfs/dbraw/zinc/26/75/73/1268267573.db2.gz QWRANLBMFDSEPN-YFHUEUNASA-N 2 1 363.506 0.369 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551555293 1268267620 /nfs/dbraw/zinc/26/76/20/1268267620.db2.gz NMMASLPTYRAJDH-NVXWUHKLSA-N 2 1 365.522 0.664 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557267 1268268420 /nfs/dbraw/zinc/26/84/20/1268268420.db2.gz UUHMJVMAYNFRFP-NVXWUHKLSA-N 2 1 365.522 0.759 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556704 1268268535 /nfs/dbraw/zinc/26/85/35/1268268535.db2.gz STKBQELHMZQHPZ-BFYDXBDKSA-N 2 1 351.495 0.417 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551558908 1268269547 /nfs/dbraw/zinc/26/95/47/1268269547.db2.gz FMICYOOFTQFFEE-QANKJYHBSA-N 2 1 363.506 0.417 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551558921 1268270171 /nfs/dbraw/zinc/27/01/71/1268270171.db2.gz FMICYOOFTQFFEE-SKDZVZGDSA-N 2 1 363.506 0.417 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551581405 1268277487 /nfs/dbraw/zinc/27/74/87/1268277487.db2.gz QXTSLMIPQPOKNR-YQQAZPJKSA-N 2 1 351.495 0.369 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551596436 1268281970 /nfs/dbraw/zinc/28/19/70/1268281970.db2.gz TZJFTVGWSCDLFN-QILLFSRXSA-N 2 1 365.522 0.616 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551594752 1268282460 /nfs/dbraw/zinc/28/24/60/1268282460.db2.gz QAXZMHOTJSJXHK-GFOCRRMGSA-N 2 1 363.506 0.511 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551938587 1268318175 /nfs/dbraw/zinc/31/81/75/1268318175.db2.gz KKZDBEZJMZZXJU-FPCVCCKLSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551938587 1268318186 /nfs/dbraw/zinc/31/81/86/1268318186.db2.gz KKZDBEZJMZZXJU-FPCVCCKLSA-N 2 1 374.489 0.786 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552098304 1268372294 /nfs/dbraw/zinc/37/22/94/1268372294.db2.gz UCERAXHMTSKUIU-OALUTQOASA-N 2 1 368.485 0.915 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC001552101868 1268375834 /nfs/dbraw/zinc/37/58/34/1268375834.db2.gz VZEUIMGAAZSJCC-TVFCKZIOSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC001552101868 1268375846 /nfs/dbraw/zinc/37/58/46/1268375846.db2.gz VZEUIMGAAZSJCC-TVFCKZIOSA-N 2 1 368.522 0.630 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@@H]4COC5)n3)cn2)CC1 ZINC001552176015 1268402991 /nfs/dbraw/zinc/40/29/91/1268402991.db2.gz JEUCCSOZBPOXJT-RDTXWAMCSA-N 2 1 356.430 0.371 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001552199606 1268407175 /nfs/dbraw/zinc/40/71/75/1268407175.db2.gz BFNBSRIVEAWIDC-NFBUACBFSA-N 2 1 359.470 0.628 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001552199606 1268407179 /nfs/dbraw/zinc/40/71/79/1268407179.db2.gz BFNBSRIVEAWIDC-NFBUACBFSA-N 2 1 359.470 0.628 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCSCCC[NH3+])CC1 ZINC001340034790 1268412212 /nfs/dbraw/zinc/41/22/12/1268412212.db2.gz YITDGZDNZVQLBI-UHFFFAOYSA-N 2 1 358.552 0.861 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCSCCC[NH3+])CC1 ZINC001340034790 1268412216 /nfs/dbraw/zinc/41/22/16/1268412216.db2.gz YITDGZDNZVQLBI-UHFFFAOYSA-N 2 1 358.552 0.861 20 0 FCADMP Nc1ccc(N[C@@H]2CCCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)c[nH+]1 ZINC001552286008 1268433330 /nfs/dbraw/zinc/43/33/30/1268433330.db2.gz ZXUFSWSFNNQADW-HIFRSBDPSA-N 2 1 370.461 0.897 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552299773 1268435402 /nfs/dbraw/zinc/43/54/02/1268435402.db2.gz XVXUXAYATRRDHW-MJGOQNOKSA-N 2 1 358.486 0.960 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552299773 1268435408 /nfs/dbraw/zinc/43/54/08/1268435408.db2.gz XVXUXAYATRRDHW-MJGOQNOKSA-N 2 1 358.486 0.960 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001340121172 1268442269 /nfs/dbraw/zinc/44/22/69/1268442269.db2.gz MRFITICXNSCSPY-ZFWWWQNUSA-N 2 1 352.504 0.877 20 0 FCADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C[C@H]2C1 ZINC001552337678 1268444703 /nfs/dbraw/zinc/44/47/03/1268444703.db2.gz GEJPVIJHAXPXTB-QBYUYEEZSA-N 2 1 361.494 0.814 20 0 FCADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435278 1268461902 /nfs/dbraw/zinc/46/19/02/1268461902.db2.gz CXTVTEHMIDXUIX-GOEBONIOSA-N 2 1 361.494 0.019 20 0 FCADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435278 1268461909 /nfs/dbraw/zinc/46/19/09/1268461909.db2.gz CXTVTEHMIDXUIX-GOEBONIOSA-N 2 1 361.494 0.019 20 0 FCADMP CC(C)[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552685718 1268521363 /nfs/dbraw/zinc/52/13/63/1268521363.db2.gz OXSRITOMPLEGBW-QGZVFWFLSA-N 2 1 363.506 0.932 20 0 FCADMP CC(C)[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552685718 1268521369 /nfs/dbraw/zinc/52/13/69/1268521369.db2.gz OXSRITOMPLEGBW-QGZVFWFLSA-N 2 1 363.506 0.932 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC001552698806 1268523091 /nfs/dbraw/zinc/52/30/91/1268523091.db2.gz VAJFKFORAVFQKG-ZBFHGGJFSA-N 2 1 359.474 0.717 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552705475 1268525088 /nfs/dbraw/zinc/52/50/88/1268525088.db2.gz GOHMDUHBDAWPSG-KRWDZBQOSA-N 2 1 363.506 0.933 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001552705475 1268525092 /nfs/dbraw/zinc/52/50/92/1268525092.db2.gz GOHMDUHBDAWPSG-KRWDZBQOSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC001552705364 1268525111 /nfs/dbraw/zinc/52/51/11/1268525111.db2.gz QKDJRNPSQNMRII-INIZCTEOSA-N 2 1 363.506 0.979 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC001552705364 1268525117 /nfs/dbraw/zinc/52/51/17/1268525117.db2.gz QKDJRNPSQNMRII-INIZCTEOSA-N 2 1 363.506 0.979 20 0 FCADMP C[C@H](CNC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706579 1268525179 /nfs/dbraw/zinc/52/51/79/1268525179.db2.gz NKUCECZIMYDJON-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](CNC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706579 1268525182 /nfs/dbraw/zinc/52/51/82/1268525182.db2.gz NKUCECZIMYDJON-WBVHZDCISA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC001552708605 1268527163 /nfs/dbraw/zinc/52/71/63/1268527163.db2.gz XFBZSWOIAUQXGF-IAGOWNOFSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC001552708605 1268527169 /nfs/dbraw/zinc/52/71/69/1268527169.db2.gz XFBZSWOIAUQXGF-IAGOWNOFSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC001552707957 1268527299 /nfs/dbraw/zinc/52/72/99/1268527299.db2.gz JRNADVQZVHLPBT-SJORKVTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC001552707957 1268527307 /nfs/dbraw/zinc/52/73/07/1268527307.db2.gz JRNADVQZVHLPBT-SJORKVTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC001552707954 1268528851 /nfs/dbraw/zinc/52/88/51/1268528851.db2.gz JRNADVQZVHLPBT-DLBZAZTESA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC001552707954 1268528859 /nfs/dbraw/zinc/52/88/59/1268528859.db2.gz JRNADVQZVHLPBT-DLBZAZTESA-N 2 1 361.490 0.687 20 0 FCADMP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372425 1268638724 /nfs/dbraw/zinc/63/87/24/1268638724.db2.gz JBEYLOXEUFGHOM-QOKNQOGYSA-N 2 1 354.458 0.986 20 0 FCADMP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2)c1ccc(-n2cncn2)cc1 ZINC001553372424 1268639021 /nfs/dbraw/zinc/63/90/21/1268639021.db2.gz JBEYLOXEUFGHOM-GMBSWORKSA-N 2 1 354.458 0.986 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553368918 1268639206 /nfs/dbraw/zinc/63/92/06/1268639206.db2.gz LNDMTNMUHDMPAF-DJJJIMSYSA-N 2 1 355.442 0.835 20 0 FCADMP CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553368918 1268639219 /nfs/dbraw/zinc/63/92/19/1268639219.db2.gz LNDMTNMUHDMPAF-DJJJIMSYSA-N 2 1 355.442 0.835 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378081 1268640199 /nfs/dbraw/zinc/64/01/99/1268640199.db2.gz JKEYYMGUVVOLDB-LPHOPBHVSA-N 2 1 363.506 0.278 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378081 1268640211 /nfs/dbraw/zinc/64/02/11/1268640211.db2.gz JKEYYMGUVVOLDB-LPHOPBHVSA-N 2 1 363.506 0.278 20 0 FCADMP CN(C)C(=O)COc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cc1 ZINC001553389357 1268641997 /nfs/dbraw/zinc/64/19/97/1268641997.db2.gz LDWOULWLYAGOHP-IFXJQAMLSA-N 2 1 360.458 0.633 20 0 FCADMP CCNC(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cc1 ZINC001553389374 1268643022 /nfs/dbraw/zinc/64/30/22/1268643022.db2.gz LEROQRBKOWQDSV-KUHUBIRLSA-N 2 1 360.458 0.681 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553388041 1268643302 /nfs/dbraw/zinc/64/33/02/1268643302.db2.gz DGYJKWOHBMPVPJ-IFXJQAMLSA-N 2 1 371.441 0.218 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001553404898 1268645109 /nfs/dbraw/zinc/64/51/09/1268645109.db2.gz BPMWWIQYSBKCJB-HXFGRODQSA-N 2 1 359.470 0.912 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001553404898 1268645120 /nfs/dbraw/zinc/64/51/20/1268645120.db2.gz BPMWWIQYSBKCJB-HXFGRODQSA-N 2 1 359.470 0.912 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]2[NH3+])c1 ZINC001553435708 1268649849 /nfs/dbraw/zinc/64/98/49/1268649849.db2.gz LULDSSMQXPZIQB-HUUCEWRRSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]2[NH3+])c1 ZINC001553435708 1268649860 /nfs/dbraw/zinc/64/98/60/1268649860.db2.gz LULDSSMQXPZIQB-HUUCEWRRSA-N 2 1 374.514 0.976 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553451794 1268652780 /nfs/dbraw/zinc/65/27/80/1268652780.db2.gz MIZIOGVGZBWXFS-LUKYLMHMSA-N 2 1 358.490 0.438 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553451402 1268653246 /nfs/dbraw/zinc/65/32/46/1268653246.db2.gz SRZUDBHPCUNDPT-HUUCEWRRSA-N 2 1 351.495 0.180 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001553512645 1268661357 /nfs/dbraw/zinc/66/13/57/1268661357.db2.gz WUOPHEDXQRNRSS-NSHGMRRFSA-N 2 1 357.502 0.935 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001553512645 1268661366 /nfs/dbraw/zinc/66/13/66/1268661366.db2.gz WUOPHEDXQRNRSS-NSHGMRRFSA-N 2 1 357.502 0.935 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509453 1268661623 /nfs/dbraw/zinc/66/16/23/1268661623.db2.gz VNEGJPHTKUSKKO-WCVJEAGWSA-N 2 1 354.495 0.552 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001553509453 1268661628 /nfs/dbraw/zinc/66/16/28/1268661628.db2.gz VNEGJPHTKUSKKO-WCVJEAGWSA-N 2 1 354.495 0.552 20 0 FCADMP CO[C@@H]1CCOC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553535738 1268665399 /nfs/dbraw/zinc/66/53/99/1268665399.db2.gz BGULJHIUWZWQGF-VVLHAWIVSA-N 2 1 352.479 0.401 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340825225 1268670611 /nfs/dbraw/zinc/67/06/11/1268670611.db2.gz WVPSNRNICJLJFA-FQEVSTJZSA-N 2 1 374.485 0.446 20 0 FCADMP Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]3C2)n1 ZINC001553620484 1268670971 /nfs/dbraw/zinc/67/09/71/1268670971.db2.gz GNLFFKMNPVHHRJ-FSDCSDTHSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001553620484 1268670982 /nfs/dbraw/zinc/67/09/82/1268670982.db2.gz GNLFFKMNPVHHRJ-FSDCSDTHSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001553620484 1268670985 /nfs/dbraw/zinc/67/09/85/1268670985.db2.gz GNLFFKMNPVHHRJ-FSDCSDTHSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@H]3C2)n1 ZINC001553620484 1268670989 /nfs/dbraw/zinc/67/09/89/1268670989.db2.gz GNLFFKMNPVHHRJ-FSDCSDTHSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]3C2)n1 ZINC001553620484 1268670997 /nfs/dbraw/zinc/67/09/97/1268670997.db2.gz GNLFFKMNPVHHRJ-FSDCSDTHSA-N 2 1 361.490 0.447 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc2c1C[NH2+]C2 ZINC001340881724 1268693114 /nfs/dbraw/zinc/69/31/14/1268693114.db2.gz PCEYNSYJTIZKPN-SFHVURJKSA-N 2 1 372.469 0.942 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC001341244070 1268884359 /nfs/dbraw/zinc/88/43/59/1268884359.db2.gz LCGCAWDMXXYVBS-FHLIZLRMSA-N 2 1 372.469 0.922 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC001341244073 1268886035 /nfs/dbraw/zinc/88/60/35/1268886035.db2.gz LCGCAWDMXXYVBS-ZTFGCOKTSA-N 2 1 372.469 0.922 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001341344763 1268945572 /nfs/dbraw/zinc/94/55/72/1268945572.db2.gz JVDPIIWLMHTESN-HNNXBMFYSA-N 2 1 350.467 0.679 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC001563700833 1269396809 /nfs/dbraw/zinc/39/68/09/1269396809.db2.gz CZETXAPMFNHESC-QGZVFWFLSA-N 2 1 354.495 0.603 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC001563700833 1269396820 /nfs/dbraw/zinc/39/68/20/1269396820.db2.gz CZETXAPMFNHESC-QGZVFWFLSA-N 2 1 354.495 0.603 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001563942096 1269402394 /nfs/dbraw/zinc/40/23/94/1269402394.db2.gz ABNNFUWYXDQYIJ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001563942096 1269402396 /nfs/dbraw/zinc/40/23/96/1269402396.db2.gz ABNNFUWYXDQYIJ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001565974571 1269535873 /nfs/dbraw/zinc/53/58/73/1269535873.db2.gz NGOUIWJGWDKQSY-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CN(CC1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001342784872 1269609037 /nfs/dbraw/zinc/60/90/37/1269609037.db2.gz XTONEMPUDMXBEE-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CCOC)CC1 ZINC001342854968 1269646127 /nfs/dbraw/zinc/64/61/27/1269646127.db2.gz OTCXTCZISXYAOK-ZIAGYGMSSA-N 2 1 366.466 0.330 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001567441896 1269695040 /nfs/dbraw/zinc/69/50/40/1269695040.db2.gz BFLBHJRAVWVVCC-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)NC2CCCC2)C2CC2)CC[N@H+]1C ZINC001567441896 1269695043 /nfs/dbraw/zinc/69/50/43/1269695043.db2.gz BFLBHJRAVWVVCC-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)NC2CCCC2)C2CC2)CC[NH+]1C ZINC001567441896 1269695050 /nfs/dbraw/zinc/69/50/50/1269695050.db2.gz BFLBHJRAVWVVCC-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)NC2CCCC2)C2CC2)CC[NH+]1C ZINC001567441896 1269695059 /nfs/dbraw/zinc/69/50/59/1269695059.db2.gz BFLBHJRAVWVVCC-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCS(=O)(=O)CC3)CC2)CC[N@H+]1C ZINC001569401301 1269780654 /nfs/dbraw/zinc/78/06/54/1269780654.db2.gz NECBWCQPBYOFIB-UKRRQHHQSA-N 2 1 357.520 0.390 20 0 FCADMP O=C(Cc1ccccc1)OCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001580574229 1278510940 /nfs/dbraw/zinc/51/09/40/1278510940.db2.gz ZPZROTXNQQLUMR-ZACQAIPSSA-N 2 1 359.426 0.639 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001343393813 1269893673 /nfs/dbraw/zinc/89/36/73/1269893673.db2.gz HLMKKNNKNFBVLW-LJQANCHMSA-N 2 1 360.458 0.517 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001573062414 1270583449 /nfs/dbraw/zinc/58/34/49/1270583449.db2.gz FSYKYOVTWUZUKM-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001573377306 1270766475 /nfs/dbraw/zinc/76/64/75/1270766475.db2.gz KKZCRJXNVPQOHT-IKGGRYGDSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574252472 1271122172 /nfs/dbraw/zinc/12/21/72/1271122172.db2.gz IEYNTSOFWBDZGM-ZDUSSCGKSA-N 2 1 358.450 0.427 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574260564 1271132031 /nfs/dbraw/zinc/13/20/31/1271132031.db2.gz MIYHINZYYKRLEO-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261031 1271133700 /nfs/dbraw/zinc/13/37/00/1271133700.db2.gz CWHWGZDOIBZPBG-HNNXBMFYSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261031 1271133707 /nfs/dbraw/zinc/13/37/07/1271133707.db2.gz CWHWGZDOIBZPBG-HNNXBMFYSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574261031 1271133712 /nfs/dbraw/zinc/13/37/12/1271133712.db2.gz CWHWGZDOIBZPBG-HNNXBMFYSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285243 1271159869 /nfs/dbraw/zinc/15/98/69/1271159869.db2.gz XTXALGYJBXUNEX-CZUORRHYSA-N 2 1 370.461 0.829 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285243 1271159872 /nfs/dbraw/zinc/15/98/72/1271159872.db2.gz XTXALGYJBXUNEX-CZUORRHYSA-N 2 1 370.461 0.829 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574288225 1271163028 /nfs/dbraw/zinc/16/30/28/1271163028.db2.gz GNBWAPAQCPGXOS-HNNXBMFYSA-N 2 1 370.461 0.617 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543188 1271326570 /nfs/dbraw/zinc/32/65/70/1271326570.db2.gz GXHKVFQRJLJMLV-OLZOCXBDSA-N 2 1 360.466 0.719 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595136 1271392899 /nfs/dbraw/zinc/39/28/99/1271392899.db2.gz DRMBOBVBMHQBMG-ZFWWWQNUSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574595133 1271393803 /nfs/dbraw/zinc/39/38/03/1271393803.db2.gz DRMBOBVBMHQBMG-DZGCQCFKSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594741 1271394181 /nfs/dbraw/zinc/39/41/81/1271394181.db2.gz AQSDMHOZGAXBLN-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594741 1271394191 /nfs/dbraw/zinc/39/41/91/1271394191.db2.gz AQSDMHOZGAXBLN-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574781472 1271516265 /nfs/dbraw/zinc/51/62/65/1271516265.db2.gz KVMZCABIZYOVRQ-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574781472 1271516269 /nfs/dbraw/zinc/51/62/69/1271516269.db2.gz KVMZCABIZYOVRQ-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574781472 1271516274 /nfs/dbraw/zinc/51/62/74/1271516274.db2.gz KVMZCABIZYOVRQ-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574854365 1271605689 /nfs/dbraw/zinc/60/56/89/1271605689.db2.gz LQSYFRFWVIBFFL-CQSZACIVSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870873 1271621588 /nfs/dbraw/zinc/62/15/88/1271621588.db2.gz DWQRNCQVJDPTGG-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574874823 1271629099 /nfs/dbraw/zinc/62/90/99/1271629099.db2.gz DVHZWCKLRIWVCF-AAEUAGOBSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886027 1271645459 /nfs/dbraw/zinc/64/54/59/1271645459.db2.gz LYYGDYZXFNGARY-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886027 1271645466 /nfs/dbraw/zinc/64/54/66/1271645466.db2.gz LYYGDYZXFNGARY-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886027 1271645470 /nfs/dbraw/zinc/64/54/70/1271645470.db2.gz LYYGDYZXFNGARY-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886027 1271645475 /nfs/dbraw/zinc/64/54/75/1271645475.db2.gz LYYGDYZXFNGARY-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP CC(C)(Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCOCC1)[NH+]1CCOCC1 ZINC001575343029 1271962627 /nfs/dbraw/zinc/96/26/27/1271962627.db2.gz WZXHPWQJMXBCDL-HNNXBMFYSA-N 2 1 364.494 0.650 20 0 FCADMP CC(C)[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1c[nH]nn1 ZINC001575353101 1271981746 /nfs/dbraw/zinc/98/17/46/1271981746.db2.gz VGAFNSSAQAPVEA-FMKPAKJESA-N 2 1 351.499 0.883 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565852 1272199664 /nfs/dbraw/zinc/19/96/64/1272199664.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565852 1272199671 /nfs/dbraw/zinc/19/96/71/1272199671.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565852 1272199672 /nfs/dbraw/zinc/19/96/72/1272199672.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 2 1 364.494 0.096 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(=O)[nH]c1=O ZINC001575674102 1272284666 /nfs/dbraw/zinc/28/46/66/1272284666.db2.gz QEZPJIZQXBHNOJ-LLVKDONJSA-N 2 1 351.451 0.429 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c(=O)[nH]c1=O ZINC001575674160 1272285143 /nfs/dbraw/zinc/28/51/43/1272285143.db2.gz RJPFXFUEJKRQLK-UHFFFAOYSA-N 2 1 351.451 0.572 20 0 FCADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575681349 1272294127 /nfs/dbraw/zinc/29/41/27/1272294127.db2.gz DIAPZQXOYIYRQW-KGLIPLIRSA-N 2 1 370.523 0.058 20 0 FCADMP CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575682373 1272294846 /nfs/dbraw/zinc/29/48/46/1272294846.db2.gz NZJHJGMWRZPKHI-OAHLLOKOSA-N 2 1 363.510 0.782 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)CO[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001575699078 1272319322 /nfs/dbraw/zinc/31/93/22/1272319322.db2.gz CCTJTPMEHYGLTR-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]([NH3+])Cc3ccncc3)CC2)CC1 ZINC001575699933 1272321049 /nfs/dbraw/zinc/32/10/49/1272321049.db2.gz KZJSRRDTHXQONQ-IBGZPJMESA-N 2 1 359.518 0.968 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001576007625 1272695926 /nfs/dbraw/zinc/69/59/26/1272695926.db2.gz GVNQGXVPOAYJNZ-YESZJQIVSA-N 2 1 358.490 0.595 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058795 1272795973 /nfs/dbraw/zinc/79/59/73/1272795973.db2.gz PTFLTXOSFGPOPG-GJZGRUSLSA-N 2 1 364.494 0.427 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576062004 1272809059 /nfs/dbraw/zinc/80/90/59/1272809059.db2.gz YATVMOJZMZIIBW-XJKSGUPXSA-N 2 1 366.429 0.821 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576144321 1272958020 /nfs/dbraw/zinc/95/80/20/1272958020.db2.gz XORQLGFZFCICIC-CABCVRRESA-N 2 1 374.493 0.103 20 0 FCADMP CC1(C)C[N@H+](CCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H]([NH3+])C2)CCO1 ZINC001576457751 1273288172 /nfs/dbraw/zinc/28/81/72/1273288172.db2.gz LNWQXCGXFJQDIO-CQSZACIVSA-N 2 1 359.478 0.921 20 0 FCADMP CC1(C)C[N@@H+](CCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H]([NH3+])C2)CCO1 ZINC001576457751 1273288182 /nfs/dbraw/zinc/28/81/82/1273288182.db2.gz LNWQXCGXFJQDIO-CQSZACIVSA-N 2 1 359.478 0.921 20 0 FCADMP CC1(C)C[N@H+](CCn2c(C3CC3)nnc2N2CCO[C@@H](C[NH3+])C2)CCO1 ZINC001576458138 1273290397 /nfs/dbraw/zinc/29/03/97/1273290397.db2.gz YNAHTWYUWRDRPC-HNNXBMFYSA-N 2 1 364.494 0.430 20 0 FCADMP CC1(C)C[N@@H+](CCn2c(C3CC3)nnc2N2CCO[C@@H](C[NH3+])C2)CCO1 ZINC001576458138 1273290403 /nfs/dbraw/zinc/29/04/03/1273290403.db2.gz YNAHTWYUWRDRPC-HNNXBMFYSA-N 2 1 364.494 0.430 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498133 1273358789 /nfs/dbraw/zinc/35/87/89/1273358789.db2.gz JOJWDCRLBBXWEC-HOCLYGCPSA-N 2 1 357.462 0.897 20 0 FCADMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576505229 1273373053 /nfs/dbraw/zinc/37/30/53/1273373053.db2.gz FZOPKKXCIGIGTF-HNNXBMFYSA-N 2 1 363.441 0.894 20 0 FCADMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001576506666 1273377343 /nfs/dbraw/zinc/37/73/43/1273377343.db2.gz RQHPGMZNSOUUOF-OAHLLOKOSA-N 2 1 363.441 0.894 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794280 1273696139 /nfs/dbraw/zinc/69/61/39/1273696139.db2.gz DRANWKAQOAIHBF-CABCVRRESA-N 2 1 357.462 0.803 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576795226 1273697943 /nfs/dbraw/zinc/69/79/43/1273697943.db2.gz HQZJZOSSZYENJY-NWDGAFQWSA-N 2 1 363.491 0.864 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576796663 1273700092 /nfs/dbraw/zinc/70/00/92/1273700092.db2.gz QKESXUUJVSGEIE-QWHCGFSZSA-N 2 1 358.450 0.250 20 0 FCADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1C[NH3+] ZINC001576801691 1273706518 /nfs/dbraw/zinc/70/65/18/1273706518.db2.gz SXCCCCVSWBCGOT-STQMWFEESA-N 2 1 354.476 0.579 20 0 FCADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823435 1273746499 /nfs/dbraw/zinc/74/64/99/1273746499.db2.gz MNARFOGCLCTFGQ-OCCSQVGLSA-N 2 1 372.477 0.641 20 0 FCADMP C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576830546 1273757035 /nfs/dbraw/zinc/75/70/35/1273757035.db2.gz GYVGDLGROIMELG-RVKKMQEKSA-N 2 1 364.494 0.037 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850003 1273801871 /nfs/dbraw/zinc/80/18/71/1273801871.db2.gz NZJPLQXRMWJPLR-KKUMJFAQSA-N 2 1 361.494 0.464 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576902197 1273907117 /nfs/dbraw/zinc/90/71/17/1273907117.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001576902197 1273907121 /nfs/dbraw/zinc/90/71/21/1273907121.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576902197 1273907126 /nfs/dbraw/zinc/90/71/26/1273907126.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902197 1273907141 /nfs/dbraw/zinc/90/71/41/1273907141.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576902197 1273907152 /nfs/dbraw/zinc/90/71/52/1273907152.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001576902197 1273907162 /nfs/dbraw/zinc/90/71/62/1273907162.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576902197 1273907175 /nfs/dbraw/zinc/90/71/75/1273907175.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 2 1 364.494 0.165 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001576995063 1274028121 /nfs/dbraw/zinc/02/81/21/1274028121.db2.gz IKKHWPJQGMCRLH-CABCVRRESA-N 2 1 365.526 0.932 20 0 FCADMP CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577445432 1274411167 /nfs/dbraw/zinc/41/11/67/1274411167.db2.gz SMCYVEWJCTUDQE-HNNXBMFYSA-N 2 1 363.510 0.783 20 0 FCADMP CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577507406 1274459920 /nfs/dbraw/zinc/45/99/20/1274459920.db2.gz SAZGDRRTHCJRCE-HNNXBMFYSA-N 2 1 363.510 0.783 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550909 1274491323 /nfs/dbraw/zinc/49/13/23/1274491323.db2.gz OMICRKCZXHANQN-DOMZBBRYSA-N 2 1 358.450 0.284 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560907 1274509976 /nfs/dbraw/zinc/50/99/76/1274509976.db2.gz KYCWPIZHMRMPSO-LBPRGKRZSA-N 2 1 360.466 0.498 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577565351 1274519542 /nfs/dbraw/zinc/51/95/42/1274519542.db2.gz RJESHEULBKFFDW-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577571349 1274533748 /nfs/dbraw/zinc/53/37/48/1274533748.db2.gz YKFFWFQFGLMFKU-ZDUSSCGKSA-N 2 1 360.466 0.935 20 0 FCADMP CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577597954 1274565809 /nfs/dbraw/zinc/56/58/09/1274565809.db2.gz MQFRRKJNRGSBLQ-AWEZNQCLSA-N 2 1 372.477 0.854 20 0 FCADMP CCN1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760584 1274842564 /nfs/dbraw/zinc/84/25/64/1274842564.db2.gz YKMOBTSPVLBDKF-RRFJBIMHSA-N 2 1 351.451 0.047 20 0 FCADMP CCN1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760584 1274842572 /nfs/dbraw/zinc/84/25/72/1274842572.db2.gz YKMOBTSPVLBDKF-RRFJBIMHSA-N 2 1 351.451 0.047 20 0 FCADMP CCN1CC[NH+](CCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001577778265 1274871121 /nfs/dbraw/zinc/87/11/21/1274871121.db2.gz OVQZVXTVZVVTDQ-WBVHZDCISA-N 2 1 361.538 0.967 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2ccn(C)n2)C[C@H]1C ZINC001577782121 1274876904 /nfs/dbraw/zinc/87/69/04/1274876904.db2.gz VUNVLZPRUXIYKW-KFWWJZLASA-N 2 1 358.494 0.795 20 0 FCADMP CC[NH2+]C1CCN(c2nnc(COCC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001577827372 1274939150 /nfs/dbraw/zinc/93/91/50/1274939150.db2.gz HQYHYMZYAIOSLU-SFHVURJKSA-N 2 1 366.510 0.460 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852151 1274992075 /nfs/dbraw/zinc/99/20/75/1274992075.db2.gz KVQOSCCOBOERRU-AWEZNQCLSA-N 2 1 372.477 0.594 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001577852356 1274997670 /nfs/dbraw/zinc/99/76/70/1274997670.db2.gz PEMAGCOBGUWCOT-OAHLLOKOSA-N 2 1 372.477 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577855266 1275006445 /nfs/dbraw/zinc/00/64/45/1275006445.db2.gz AFTQBXPUYQKUNL-CYBMUJFWSA-N 2 1 358.450 0.428 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577866937 1275045867 /nfs/dbraw/zinc/04/58/67/1275045867.db2.gz PPGSLNZYTSJXPT-WAYWQWQTSA-N 2 1 358.450 0.418 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867086 1275045916 /nfs/dbraw/zinc/04/59/16/1275045916.db2.gz UNDRHIXHJCGNMV-AWEZNQCLSA-N 2 1 372.477 0.854 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577867072 1275048070 /nfs/dbraw/zinc/04/80/70/1275048070.db2.gz UDVINKMFFKHTLW-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577867072 1275048076 /nfs/dbraw/zinc/04/80/76/1275048076.db2.gz UDVINKMFFKHTLW-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577867072 1275048084 /nfs/dbraw/zinc/04/80/84/1275048084.db2.gz UDVINKMFFKHTLW-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577867072 1275048089 /nfs/dbraw/zinc/04/80/89/1275048089.db2.gz UDVINKMFFKHTLW-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577867259 1275050031 /nfs/dbraw/zinc/05/00/31/1275050031.db2.gz YTYOCXPCTIVRFO-OAHLLOKOSA-N 2 1 360.466 0.578 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(COCC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577900044 1275110651 /nfs/dbraw/zinc/11/06/51/1275110651.db2.gz WWWUTPFPZRJKTA-HUUCEWRRSA-N 2 1 352.483 0.333 20 0 FCADMP CC[NH2+][C@H](C)Cn1c(COCC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577900044 1275110654 /nfs/dbraw/zinc/11/06/54/1275110654.db2.gz WWWUTPFPZRJKTA-HUUCEWRRSA-N 2 1 352.483 0.333 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001577932999 1275147492 /nfs/dbraw/zinc/14/74/92/1275147492.db2.gz WQZQBKHQBILZIY-HNNXBMFYSA-N 2 1 353.463 0.243 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952726 1275174547 /nfs/dbraw/zinc/17/45/47/1275174547.db2.gz RNSOKVYDQCNRRP-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952726 1275174554 /nfs/dbraw/zinc/17/45/54/1275174554.db2.gz RNSOKVYDQCNRRP-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952726 1275174561 /nfs/dbraw/zinc/17/45/61/1275174561.db2.gz RNSOKVYDQCNRRP-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001577952726 1275174563 /nfs/dbraw/zinc/17/45/63/1275174563.db2.gz RNSOKVYDQCNRRP-INIZCTEOSA-N 2 1 373.461 0.135 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH2+]C)CC1 ZINC001578115561 1275417275 /nfs/dbraw/zinc/41/72/75/1275417275.db2.gz PFKYXHBHVOJFHZ-UHFFFAOYSA-N 2 1 362.482 0.057 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001578141937 1275440126 /nfs/dbraw/zinc/44/01/26/1275440126.db2.gz GTBXFUYMACCKNJ-HOTGVXAUSA-N 2 1 366.510 0.581 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578219543 1275516380 /nfs/dbraw/zinc/51/63/80/1275516380.db2.gz MNLFSMSZEBMMLH-XJKSGUPXSA-N 2 1 372.477 0.783 20 0 FCADMP CCc1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001578305304 1275640865 /nfs/dbraw/zinc/64/08/65/1275640865.db2.gz LHDUFWSZEHFCTA-HRCADAONSA-N 2 1 350.511 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001578444157 1275829903 /nfs/dbraw/zinc/82/99/03/1275829903.db2.gz KWXIKZRWJZNOMH-HEHGZKQESA-N 2 1 370.461 0.427 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578457405 1275858405 /nfs/dbraw/zinc/85/84/05/1275858405.db2.gz UAKUVCDVJLOMSE-AEGPPILISA-N 2 1 370.461 0.687 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578457405 1275858422 /nfs/dbraw/zinc/85/84/22/1275858422.db2.gz UAKUVCDVJLOMSE-AEGPPILISA-N 2 1 370.461 0.687 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001578525565 1275957777 /nfs/dbraw/zinc/95/77/77/1275957777.db2.gz HTJIUFNJUNNUEY-QFBILLFUSA-N 2 1 372.473 0.176 20 0 FCADMP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCSC1 ZINC001578525744 1275957948 /nfs/dbraw/zinc/95/79/48/1275957948.db2.gz OUGQGSHCIVYKSM-OEUWWYETSA-N 2 1 366.535 0.491 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH2+]CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578522727 1275958220 /nfs/dbraw/zinc/95/82/20/1275958220.db2.gz APLZMCLSQWWHPE-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH2+]CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578522727 1275958226 /nfs/dbraw/zinc/95/82/26/1275958226.db2.gz APLZMCLSQWWHPE-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC001578533636 1275964725 /nfs/dbraw/zinc/96/47/25/1275964725.db2.gz QKZLBBDSXGMHPG-GOSISDBHSA-N 2 1 357.502 0.980 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC001578533636 1275964736 /nfs/dbraw/zinc/96/47/36/1275964736.db2.gz QKZLBBDSXGMHPG-GOSISDBHSA-N 2 1 357.502 0.980 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC001578533636 1275964742 /nfs/dbraw/zinc/96/47/42/1275964742.db2.gz QKZLBBDSXGMHPG-GOSISDBHSA-N 2 1 357.502 0.980 20 0 FCADMP C[NH2+][C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578577666 1276010708 /nfs/dbraw/zinc/01/07/08/1276010708.db2.gz YQAXUSNFIBEOQF-AWEZNQCLSA-N 2 1 362.482 0.055 20 0 FCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001578647731 1276098302 /nfs/dbraw/zinc/09/83/02/1276098302.db2.gz UDYOBTGRDLRDRD-JKSUJKDBSA-N 2 1 350.463 0.491 20 0 FCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001578647731 1276098305 /nfs/dbraw/zinc/09/83/05/1276098305.db2.gz UDYOBTGRDLRDRD-JKSUJKDBSA-N 2 1 350.463 0.491 20 0 FCADMP C[NH2+]C[C@H]1CCCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578660834 1276110667 /nfs/dbraw/zinc/11/06/67/1276110667.db2.gz SGLVJNSPKCGKDZ-QAPCUYQASA-N 2 1 350.511 0.904 20 0 FCADMP C[NH2+]CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578720788 1276194163 /nfs/dbraw/zinc/19/41/63/1276194163.db2.gz JGPZGUWRDJTBLI-MRXNPFEDSA-N 2 1 372.473 0.694 20 0 FCADMP C[NH2+]CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578720788 1276194164 /nfs/dbraw/zinc/19/41/64/1276194164.db2.gz JGPZGUWRDJTBLI-MRXNPFEDSA-N 2 1 372.473 0.694 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@H]2CC23C[NH2+]C3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001578782005 1276264066 /nfs/dbraw/zinc/26/40/66/1276264066.db2.gz WKOYEYXJVUVSCJ-UZLBHIALSA-N 2 1 357.454 0.920 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)Cn2c(C[NH3+])nc3ccccc32)CC[N@@H+](C)C1 ZINC001578797975 1276286252 /nfs/dbraw/zinc/28/62/52/1276286252.db2.gz VZBWWTLTYJGKMU-ZDUSSCGKSA-N 2 1 359.430 0.058 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H](C)C1 ZINC001578807200 1276298620 /nfs/dbraw/zinc/29/86/20/1276298620.db2.gz CXDUZPZEUYMZIZ-SMDDNHRTSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H](C)C1 ZINC001578807200 1276298621 /nfs/dbraw/zinc/29/86/21/1276298621.db2.gz CXDUZPZEUYMZIZ-SMDDNHRTSA-N 2 1 351.369 0.624 20 0 FCADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578971305 1276516374 /nfs/dbraw/zinc/51/63/74/1276516374.db2.gz BUHIRFLMANVGTH-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578973575 1276520594 /nfs/dbraw/zinc/52/05/94/1276520594.db2.gz UBKYUGRMFDFNMC-HNNXBMFYSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578979233 1276539096 /nfs/dbraw/zinc/53/90/96/1276539096.db2.gz XWGQETHGBOQBDS-GFCCVEGCSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578987778 1276560347 /nfs/dbraw/zinc/56/03/47/1276560347.db2.gz RDDGGVNHHXBDCK-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578987778 1276560353 /nfs/dbraw/zinc/56/03/53/1276560353.db2.gz RDDGGVNHHXBDCK-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013908 1276588402 /nfs/dbraw/zinc/58/84/02/1276588402.db2.gz HZYMGZYPRVKUGS-UHFFFAOYSA-N 2 1 370.461 0.475 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOC[C@H]1C ZINC001579020445 1276598729 /nfs/dbraw/zinc/59/87/29/1276598729.db2.gz CFHMHGMCFBZJFP-HZPDHXFCSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579027817 1276611157 /nfs/dbraw/zinc/61/11/57/1276611157.db2.gz QHJSQJKOFHTDGL-MPGHIAIKSA-N 2 1 364.494 0.288 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579027838 1276611747 /nfs/dbraw/zinc/61/17/47/1276611747.db2.gz QTOPQRYYJQUSDS-SJORKVTESA-N 2 1 356.511 0.883 20 0 FCADMP CON(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001579103706 1276764457 /nfs/dbraw/zinc/76/44/57/1276764457.db2.gz HJPXCNYBQPPYTF-IYBDPMFKSA-N 2 1 365.526 0.754 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579172378 1276927000 /nfs/dbraw/zinc/92/70/00/1276927000.db2.gz RBGNVPRJFKVLGZ-KRWDZBQOSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172310 1276927629 /nfs/dbraw/zinc/92/76/29/1276927629.db2.gz PJDPWSUXORSJRN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172310 1276927633 /nfs/dbraw/zinc/92/76/33/1276927633.db2.gz PJDPWSUXORSJRN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172310 1276927640 /nfs/dbraw/zinc/92/76/40/1276927640.db2.gz PJDPWSUXORSJRN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579172310 1276927645 /nfs/dbraw/zinc/92/76/45/1276927645.db2.gz PJDPWSUXORSJRN-ZDUSSCGKSA-N 2 1 361.425 0.506 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323553 1277139048 /nfs/dbraw/zinc/13/90/48/1277139048.db2.gz VZVBELOADURVGA-KLAILNCOSA-N 2 1 369.473 0.897 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579326240 1277149827 /nfs/dbraw/zinc/14/98/27/1277149827.db2.gz IKRNJQWXCCTITR-SWLSCSKDSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329087 1277156578 /nfs/dbraw/zinc/15/65/78/1277156578.db2.gz LXLWOPKQZPPJDN-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329087 1277156588 /nfs/dbraw/zinc/15/65/88/1277156588.db2.gz LXLWOPKQZPPJDN-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329087 1277156589 /nfs/dbraw/zinc/15/65/89/1277156589.db2.gz LXLWOPKQZPPJDN-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579329087 1277156590 /nfs/dbraw/zinc/15/65/90/1277156590.db2.gz LXLWOPKQZPPJDN-IKGGRYGDSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579331795 1277161454 /nfs/dbraw/zinc/16/14/54/1277161454.db2.gz FQWMVIYYTTVQIC-SJORKVTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331605 1277163206 /nfs/dbraw/zinc/16/32/06/1277163206.db2.gz CWTCIBFJKJBCMU-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331605 1277163208 /nfs/dbraw/zinc/16/32/08/1277163208.db2.gz CWTCIBFJKJBCMU-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579331605 1277163211 /nfs/dbraw/zinc/16/32/11/1277163211.db2.gz CWTCIBFJKJBCMU-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333842 1277169010 /nfs/dbraw/zinc/16/90/10/1277169010.db2.gz SKZQIEBZDRTHRS-HNAYVOBHSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333842 1277169015 /nfs/dbraw/zinc/16/90/15/1277169015.db2.gz SKZQIEBZDRTHRS-HNAYVOBHSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333842 1277169017 /nfs/dbraw/zinc/16/90/17/1277169017.db2.gz SKZQIEBZDRTHRS-HNAYVOBHSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334553 1277170861 /nfs/dbraw/zinc/17/08/61/1277170861.db2.gz YRLTVCRCMNHIJR-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334553 1277170862 /nfs/dbraw/zinc/17/08/62/1277170862.db2.gz YRLTVCRCMNHIJR-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334553 1277170863 /nfs/dbraw/zinc/17/08/63/1277170863.db2.gz YRLTVCRCMNHIJR-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334553 1277170864 /nfs/dbraw/zinc/17/08/64/1277170864.db2.gz YRLTVCRCMNHIJR-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334440 1277171053 /nfs/dbraw/zinc/17/10/53/1277171053.db2.gz FCIMPIQZVAAFDV-SFAKSCPVSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335058 1277172846 /nfs/dbraw/zinc/17/28/46/1277172846.db2.gz MTURHJRGKHSZGR-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335058 1277172849 /nfs/dbraw/zinc/17/28/49/1277172849.db2.gz MTURHJRGKHSZGR-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335058 1277172853 /nfs/dbraw/zinc/17/28/53/1277172853.db2.gz MTURHJRGKHSZGR-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579335239 1277173403 /nfs/dbraw/zinc/17/34/03/1277173403.db2.gz OWKLCBBTZATONZ-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579335239 1277173404 /nfs/dbraw/zinc/17/34/04/1277173404.db2.gz OWKLCBBTZATONZ-KRWDZBQOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335582 1277178031 /nfs/dbraw/zinc/17/80/31/1277178031.db2.gz SDIBVISSTOWALA-GFCCVEGCSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335582 1277178032 /nfs/dbraw/zinc/17/80/32/1277178032.db2.gz SDIBVISSTOWALA-GFCCVEGCSA-N 2 1 356.434 0.298 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338863 1277180775 /nfs/dbraw/zinc/18/07/75/1277180775.db2.gz YYQHUNSAFKIQEK-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579338724 1277180972 /nfs/dbraw/zinc/18/09/72/1277180972.db2.gz UYIDADWKWFBPIA-APHBMKBZSA-N 2 1 370.461 0.475 20 0 FCADMP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339330 1277183243 /nfs/dbraw/zinc/18/32/43/1277183243.db2.gz FNKRZRBUMNBCFV-ZDUSSCGKSA-N 2 1 358.450 0.498 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344923 1277196683 /nfs/dbraw/zinc/19/66/83/1277196683.db2.gz IMUVCEKQZKKKFI-KBPBESRZSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346199 1277198684 /nfs/dbraw/zinc/19/86/84/1277198684.db2.gz ZMBBYIJBABRQMR-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346199 1277198688 /nfs/dbraw/zinc/19/86/88/1277198688.db2.gz ZMBBYIJBABRQMR-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346199 1277198691 /nfs/dbraw/zinc/19/86/91/1277198691.db2.gz ZMBBYIJBABRQMR-RDJZCZTQSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346197 1277198900 /nfs/dbraw/zinc/19/89/00/1277198900.db2.gz ZMBBYIJBABRQMR-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346197 1277198903 /nfs/dbraw/zinc/19/89/03/1277198903.db2.gz ZMBBYIJBABRQMR-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346197 1277198907 /nfs/dbraw/zinc/19/89/07/1277198907.db2.gz ZMBBYIJBABRQMR-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355590 1277219749 /nfs/dbraw/zinc/21/97/49/1277219749.db2.gz FPCAXHAGICCLJV-PREGVCBESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356746 1277222611 /nfs/dbraw/zinc/22/26/11/1277222611.db2.gz MKLNFLGBDYPDBV-IAGOWNOFSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579359093 1277230935 /nfs/dbraw/zinc/23/09/35/1277230935.db2.gz OGJSJRACOCEVHI-OAHLLOKOSA-N 2 1 355.446 0.699 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361404 1277238886 /nfs/dbraw/zinc/23/88/86/1277238886.db2.gz NBOBRNFITLKLLQ-CQSZACIVSA-N 2 1 370.461 0.785 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579361404 1277238887 /nfs/dbraw/zinc/23/88/87/1277238887.db2.gz NBOBRNFITLKLLQ-CQSZACIVSA-N 2 1 370.461 0.785 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363125 1277240825 /nfs/dbraw/zinc/24/08/25/1277240825.db2.gz WEJFFNGFEXQNMM-DZKIICNBSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362792 1277241301 /nfs/dbraw/zinc/24/13/01/1277241301.db2.gz SWKPRYKZJFEWHK-UONOGXRCSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579362792 1277241305 /nfs/dbraw/zinc/24/13/05/1277241305.db2.gz SWKPRYKZJFEWHK-UONOGXRCSA-N 2 1 370.461 0.831 20 0 FCADMP CSCCCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001579374463 1277255082 /nfs/dbraw/zinc/25/50/82/1277255082.db2.gz PIPHCZRZRPVCRZ-WMLDXEAASA-N 2 1 368.551 0.959 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001579381331 1277260906 /nfs/dbraw/zinc/26/09/06/1277260906.db2.gz UIXBGROAEQYOCP-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001579381331 1277260914 /nfs/dbraw/zinc/26/09/14/1277260914.db2.gz UIXBGROAEQYOCP-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001579381331 1277260923 /nfs/dbraw/zinc/26/09/23/1277260923.db2.gz UIXBGROAEQYOCP-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001579381331 1277260930 /nfs/dbraw/zinc/26/09/30/1277260930.db2.gz UIXBGROAEQYOCP-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cnn1C ZINC001579529931 1277492862 /nfs/dbraw/zinc/49/28/62/1277492862.db2.gz ONKPYTHZGWGWJF-OXJNMPFZSA-N 2 1 355.486 0.975 20 0 FCADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH3+])C1 ZINC001579883408 1277949094 /nfs/dbraw/zinc/94/90/94/1277949094.db2.gz RMLQRGFYDFIXQQ-HNNXBMFYSA-N 2 1 374.493 0.797 20 0 FCADMP Cc1nnc(N2CC[C@@H]([NH3+])C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001579911040 1277958560 /nfs/dbraw/zinc/95/85/60/1277958560.db2.gz DLKPRCVGXDGZOB-GDBMZVCRSA-N 2 1 352.508 0.332 20 0 FCADMP Cc1nnc(N2CC[NH2+][C@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001579910971 1277959023 /nfs/dbraw/zinc/95/90/23/1277959023.db2.gz YGPIQSUJJVSNSA-ZBFHGGJFSA-N 2 1 363.510 0.327 20 0 FCADMP Cn1cc(Nc2nnc(C3CC[NH2+]CC3)n2CCC[NH+]2CCOCC2)cn1 ZINC001579967373 1277981873 /nfs/dbraw/zinc/98/18/73/1277981873.db2.gz DOLDNBKLPLSYHT-UHFFFAOYSA-N 2 1 374.493 0.945 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC001580008065 1277988861 /nfs/dbraw/zinc/98/88/61/1277988861.db2.gz CDGRJSFZNUUUKQ-CQSZACIVSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC001580027557 1277994805 /nfs/dbraw/zinc/99/48/05/1277994805.db2.gz DNSNVYPBOARALL-WFASDCNBSA-N 2 1 373.461 0.564 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001580088994 1278003978 /nfs/dbraw/zinc/00/39/78/1278003978.db2.gz GHVAMNBVQIXPGV-CRAIPNDOSA-N 2 1 351.495 0.359 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001580088997 1278004106 /nfs/dbraw/zinc/00/41/06/1278004106.db2.gz GHVAMNBVQIXPGV-YJBOKZPZSA-N 2 1 351.495 0.359 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC001580222545 1278046232 /nfs/dbraw/zinc/04/62/32/1278046232.db2.gz XBVSWOPULKVCAU-JKSUJKDBSA-N 2 1 353.511 0.781 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580270599 1278064544 /nfs/dbraw/zinc/06/45/44/1278064544.db2.gz UBJMBUKJCYRILP-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580272602 1278065336 /nfs/dbraw/zinc/06/53/36/1278065336.db2.gz GBSAOWDAZFYUJI-DZGCQCFKSA-N 2 1 357.462 0.803 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001580275699 1278070540 /nfs/dbraw/zinc/07/05/40/1278070540.db2.gz ZGFKIHNFCNAVTI-WCQYABFASA-N 2 1 351.394 0.946 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC001580275699 1278070549 /nfs/dbraw/zinc/07/05/49/1278070549.db2.gz ZGFKIHNFCNAVTI-WCQYABFASA-N 2 1 351.394 0.946 20 0 FCADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001580867564 1279070531 /nfs/dbraw/zinc/07/05/31/1279070531.db2.gz KHYNAEOKEBECBN-SJORKVTESA-N 2 1 359.536 0.817 20 0 FCADMP O=S(=O)(NCCN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC001580868229 1279071820 /nfs/dbraw/zinc/07/18/20/1279071820.db2.gz GLSKTPLYCIPEIK-MRXNPFEDSA-N 2 1 352.504 0.192 20 0 FCADMP Cc1cc(N(C)[C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940499 1279148139 /nfs/dbraw/zinc/14/81/39/1279148139.db2.gz AHROAFKTUCUXMG-CYBMUJFWSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991216 1279193809 /nfs/dbraw/zinc/19/38/09/1279193809.db2.gz MQNWWDUNUAYTIO-GFCCVEGCSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994993 1279204640 /nfs/dbraw/zinc/20/46/40/1279204640.db2.gz VFQDDMYGEIQGSK-CZUORRHYSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006307 1279225436 /nfs/dbraw/zinc/22/54/36/1279225436.db2.gz OPVWKVNKIMJKGN-HIFRSBDPSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010259 1279236651 /nfs/dbraw/zinc/23/66/51/1279236651.db2.gz IDONKCYAOKOHJG-GFCCVEGCSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010181 1279236867 /nfs/dbraw/zinc/23/68/67/1279236867.db2.gz GPTVLGCDGNMQEW-OCCSQVGLSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026503 1279259660 /nfs/dbraw/zinc/25/96/60/1279259660.db2.gz LVXHFGYIMBDLNL-CHWSQXEVSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038672 1279274510 /nfs/dbraw/zinc/27/45/10/1279274510.db2.gz VBRAOHNUANJUMO-YIYPIFLZSA-N 2 1 370.461 0.391 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039145 1279276196 /nfs/dbraw/zinc/27/61/96/1279276196.db2.gz LOTYZULSSUOZST-LALPHHSUSA-N 2 1 356.434 0.145 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039419 1279277691 /nfs/dbraw/zinc/27/76/91/1279277691.db2.gz YJZHFJWLJZMMJB-JHJVBQTASA-N 2 1 356.434 0.003 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581342232 1279728979 /nfs/dbraw/zinc/72/89/79/1279728979.db2.gz LNZQGLBHHGFFRR-WKILWMFISA-N 2 1 366.429 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001716682348 1287386078 /nfs/dbraw/zinc/38/60/78/1287386078.db2.gz NIPYFQKJNSERNJ-QLFBSQMISA-N 2 1 357.520 0.390 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581563950 1280140966 /nfs/dbraw/zinc/14/09/66/1280140966.db2.gz NCBITTRTBKCMAL-INIZCTEOSA-N 2 1 366.429 0.762 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581563881 1280141914 /nfs/dbraw/zinc/14/19/14/1280141914.db2.gz UFDFUOKKXJPKFE-UHFFFAOYSA-N 2 1 366.429 0.810 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581564371 1280143463 /nfs/dbraw/zinc/14/34/63/1280143463.db2.gz YQXIKZTXXUCSDG-CYBMUJFWSA-N 2 1 368.445 0.914 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C[NH+]1CCCC1 ZINC001603528912 1287406553 /nfs/dbraw/zinc/40/65/53/1287406553.db2.gz UJOHAPFJWJEVRQ-GUYCJALGSA-N 2 1 369.473 0.902 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001604198582 1287586790 /nfs/dbraw/zinc/58/67/90/1287586790.db2.gz ONHLLQAZRVYWOY-AWEZNQCLSA-N 2 1 372.477 0.997 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716277 1282960773 /nfs/dbraw/zinc/96/07/73/1282960773.db2.gz GACKIRYTDXIHAY-QGZUEGPWSA-N 2 1 370.461 0.641 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC001642000738 1282987110 /nfs/dbraw/zinc/98/71/10/1282987110.db2.gz RBGVQOQHPDRXPC-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001642000738 1282987124 /nfs/dbraw/zinc/98/71/24/1282987124.db2.gz RBGVQOQHPDRXPC-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001642000738 1282987135 /nfs/dbraw/zinc/98/71/35/1282987135.db2.gz RBGVQOQHPDRXPC-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C[NH+]2C[C@@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213062 1283345817 /nfs/dbraw/zinc/34/58/17/1283345817.db2.gz ARAWZHXRUAOOII-GGNLRSJOSA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213062 1283345829 /nfs/dbraw/zinc/34/58/29/1283345829.db2.gz ARAWZHXRUAOOII-GGNLRSJOSA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213062 1283345841 /nfs/dbraw/zinc/34/58/41/1283345841.db2.gz ARAWZHXRUAOOII-GGNLRSJOSA-N 2 1 372.473 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC001719066679 1287647805 /nfs/dbraw/zinc/64/78/05/1287647805.db2.gz PUVYDOSWMYQUGY-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001719066679 1287647810 /nfs/dbraw/zinc/64/78/10/1287647810.db2.gz PUVYDOSWMYQUGY-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001683210158 1283894905 /nfs/dbraw/zinc/89/49/05/1283894905.db2.gz GIASKLYLMAIQCK-QGZVFWFLSA-N 2 1 366.506 0.748 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001683210158 1283894914 /nfs/dbraw/zinc/89/49/14/1283894914.db2.gz GIASKLYLMAIQCK-QGZVFWFLSA-N 2 1 366.506 0.748 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001590862510 1283933383 /nfs/dbraw/zinc/93/33/83/1283933383.db2.gz IBZPFXQRTQSUFS-SWLSCSKDSA-N 2 1 358.450 0.332 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071538 1284134747 /nfs/dbraw/zinc/13/47/47/1284134747.db2.gz YYGJSVHAACIJBG-CYBMUJFWSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071538 1284134753 /nfs/dbraw/zinc/13/47/53/1284134753.db2.gz YYGJSVHAACIJBG-CYBMUJFWSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591071538 1284134756 /nfs/dbraw/zinc/13/47/56/1284134756.db2.gz YYGJSVHAACIJBG-CYBMUJFWSA-N 2 1 363.491 0.961 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591075086 1284139189 /nfs/dbraw/zinc/13/91/89/1284139189.db2.gz XWQPGFBKRAEGDU-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591075086 1284139197 /nfs/dbraw/zinc/13/91/97/1284139197.db2.gz XWQPGFBKRAEGDU-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591075086 1284139203 /nfs/dbraw/zinc/13/92/03/1284139203.db2.gz XWQPGFBKRAEGDU-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC[NH+]1CCOCC1 ZINC001591103646 1284174630 /nfs/dbraw/zinc/17/46/30/1284174630.db2.gz WTQYBXZCPZSZRR-UHFFFAOYSA-N 2 1 373.461 0.137 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174707 1284262022 /nfs/dbraw/zinc/26/20/22/1284262022.db2.gz AFEYSIVBFQDMPI-ZIAGYGMSSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001591186611 1284297941 /nfs/dbraw/zinc/29/79/41/1284297941.db2.gz VPFRXFMDBUYEGL-DVOMOZLQSA-N 2 1 373.436 0.837 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)[NH+](CC)CC ZINC001719107614 1287753299 /nfs/dbraw/zinc/75/32/99/1287753299.db2.gz VJMVRBLNOVBCAQ-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592419139 1285345896 /nfs/dbraw/zinc/34/58/96/1285345896.db2.gz FUORQTRCFDKCMQ-SNAWJCMRSA-N 2 1 366.429 0.834 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001719120225 1287779212 /nfs/dbraw/zinc/77/92/12/1287779212.db2.gz PGUQDZWYEVOXDW-IAGOWNOFSA-N 2 1 368.522 0.282 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592745263 1285663516 /nfs/dbraw/zinc/66/35/16/1285663516.db2.gz SMKVSQBORSTZDE-DBQDNQAGSA-N 2 1 353.430 0.536 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592745264 1285664723 /nfs/dbraw/zinc/66/47/23/1285664723.db2.gz SMKVSQBORSTZDE-NSWWBONSSA-N 2 1 353.430 0.536 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001702449653 1285687568 /nfs/dbraw/zinc/68/75/68/1285687568.db2.gz IHEDVXFRUKYBFR-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001702449653 1285687572 /nfs/dbraw/zinc/68/75/72/1285687572.db2.gz IHEDVXFRUKYBFR-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001593075802 1285971485 /nfs/dbraw/zinc/97/14/85/1285971485.db2.gz DRFHAMQFXXUBMA-CZUORRHYSA-N 2 1 370.461 0.619 20 0 FCADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001593507935 1286186772 /nfs/dbraw/zinc/18/67/72/1286186772.db2.gz LYMWYLMGMGEWNR-ZOBUZTSGSA-N 2 1 358.446 0.680 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cc(C[N@@H+]2CCC[C@@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529620 1286192993 /nfs/dbraw/zinc/19/29/93/1286192993.db2.gz WCQKRICBMQAUTF-QZTJIDSGSA-N 2 1 372.473 0.780 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001707225280 1287074593 /nfs/dbraw/zinc/07/45/93/1287074593.db2.gz XRNQLNDGCRVYDY-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001707225280 1287074601 /nfs/dbraw/zinc/07/46/01/1287074601.db2.gz XRNQLNDGCRVYDY-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001707225280 1287074610 /nfs/dbraw/zinc/07/46/10/1287074610.db2.gz XRNQLNDGCRVYDY-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001736042701 1289128758 /nfs/dbraw/zinc/12/87/58/1289128758.db2.gz RKFVAZDZIUIVCF-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001710275884 1287169380 /nfs/dbraw/zinc/16/93/80/1287169380.db2.gz VXSAEYHNJKTYHH-HNNXBMFYSA-N 2 1 350.511 0.964 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854941 1287799787 /nfs/dbraw/zinc/79/97/87/1287799787.db2.gz VELBBPHEGGTGOS-IBUXWKBASA-N 2 1 356.434 0.110 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604854944 1287800359 /nfs/dbraw/zinc/80/03/59/1287800359.db2.gz VELBBPHEGGTGOS-YWVDXFKGSA-N 2 1 356.434 0.110 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604861583 1287802313 /nfs/dbraw/zinc/80/23/13/1287802313.db2.gz ABBULLGAXUDJGA-KRWDZBQOSA-N 2 1 359.478 0.517 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001719234444 1287917252 /nfs/dbraw/zinc/91/72/52/1287917252.db2.gz OYJVJNGIFFEAIO-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001719247627 1287944177 /nfs/dbraw/zinc/94/41/77/1287944177.db2.gz ZWZPIRNIMABLCP-HZPDHXFCSA-N 2 1 354.495 0.012 20 0 FCADMP [NH3+]CC[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(F)F ZINC001606437369 1288315957 /nfs/dbraw/zinc/31/59/57/1288315957.db2.gz KZUNOABXZIYPTK-RYUDHWBXSA-N 2 1 351.361 0.152 20 0 FCADMP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001606780931 1288511588 /nfs/dbraw/zinc/51/15/88/1288511588.db2.gz RCWNTSOVBOPGDB-WFASDCNBSA-N 2 1 356.434 0.229 20 0 FCADMP CCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001727529433 1288515201 /nfs/dbraw/zinc/51/52/01/1288515201.db2.gz LERDRXHLTLUGDN-HDMKZQKVSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001727529433 1288515205 /nfs/dbraw/zinc/51/52/05/1288515205.db2.gz LERDRXHLTLUGDN-HDMKZQKVSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001727529433 1288515207 /nfs/dbraw/zinc/51/52/07/1288515207.db2.gz LERDRXHLTLUGDN-HDMKZQKVSA-N 2 1 350.511 0.826 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001732401840 1288583444 /nfs/dbraw/zinc/58/34/44/1288583444.db2.gz BZOXRUJIHBOSHM-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001732401840 1288583447 /nfs/dbraw/zinc/58/34/47/1288583447.db2.gz BZOXRUJIHBOSHM-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP O[C@@]1(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC001607098674 1288660453 /nfs/dbraw/zinc/66/04/53/1288660453.db2.gz SFVNUCJWLWJJGL-IBGZPJMESA-N 2 1 372.473 0.962 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CCO ZINC001692031506 1289371431 /nfs/dbraw/zinc/37/14/31/1289371431.db2.gz FZWBTVZMMPFEEJ-KBAYOESNSA-N 2 1 353.507 0.839 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C[NH2+]CCCO ZINC001692042540 1289374994 /nfs/dbraw/zinc/37/49/94/1289374994.db2.gz YOZNEMSUOHLICY-LZLYRXPVSA-N 2 1 364.490 0.589 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]CC=CCl)cc(=O)[nH]2)CC[N@H+]1C ZINC001692130936 1289402097 /nfs/dbraw/zinc/40/20/97/1289402097.db2.gz VSXUXKYLPBPTRD-KJGKVODESA-N 2 1 353.854 0.981 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001692265327 1289439632 /nfs/dbraw/zinc/43/96/32/1289439632.db2.gz WFYNPFDLLKJXCI-VYDXJSESSA-N 2 1 368.497 0.725 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)CC[N@H+]1C ZINC001737390584 1289540140 /nfs/dbraw/zinc/54/01/40/1289540140.db2.gz BECAOCHSQKPDGS-FVQBIDKESA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[NH2+]CCn1cncn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699387208 1289552130 /nfs/dbraw/zinc/55/21/30/1289552130.db2.gz NRRPAFHGGANZKM-NXHRZFHOSA-N 2 1 356.474 0.718 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001699403519 1289552921 /nfs/dbraw/zinc/55/29/21/1289552921.db2.gz APSPEMDAZOFVRO-MELADBBJSA-N 2 1 350.467 0.133 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001699403519 1289552927 /nfs/dbraw/zinc/55/29/27/1289552927.db2.gz APSPEMDAZOFVRO-MELADBBJSA-N 2 1 350.467 0.133 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C2CC2)CC[N@@H+]1C ZINC001699578310 1289558160 /nfs/dbraw/zinc/55/81/60/1289558160.db2.gz ZRLWQPPCVQYANX-YUELXQCFSA-N 2 1 362.478 0.133 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C2CC2)CC[N@H+]1C ZINC001699578310 1289558167 /nfs/dbraw/zinc/55/81/67/1289558167.db2.gz ZRLWQPPCVQYANX-YUELXQCFSA-N 2 1 362.478 0.133 20 0 FCADMP CCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001614032854 1289734317 /nfs/dbraw/zinc/73/43/17/1289734317.db2.gz RLCGRYADLIEGPZ-SFHVURJKSA-N 2 1 350.511 0.685 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001619876813 1289965592 /nfs/dbraw/zinc/96/55/92/1289965592.db2.gz LEPMCASSPIQNRP-UHFFFAOYSA-N 2 1 366.510 0.466 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001702323669 1290046079 /nfs/dbraw/zinc/04/60/79/1290046079.db2.gz IMQLPUCSIUUHPS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1)CC(C)(C)C ZINC001739668211 1290335194 /nfs/dbraw/zinc/33/51/94/1290335194.db2.gz LSVSWDXTTJGVGS-PMPSAXMXSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1)CC(C)(C)C ZINC001739668211 1290335208 /nfs/dbraw/zinc/33/52/08/1290335208.db2.gz LSVSWDXTTJGVGS-PMPSAXMXSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1)CC(C)(C)C ZINC001739668211 1290335218 /nfs/dbraw/zinc/33/52/18/1290335218.db2.gz LSVSWDXTTJGVGS-PMPSAXMXSA-N 2 1 368.522 0.137 20 0 FCADMP COCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC001628813975 1290556167 /nfs/dbraw/zinc/55/61/67/1290556167.db2.gz OLEVKXDQGLNCMF-OAHLLOKOSA-N 2 1 350.467 0.165 20 0 FCADMP Cc1nccn1-c1ccncc1NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001629326888 1290592978 /nfs/dbraw/zinc/59/29/78/1290592978.db2.gz CORBKVCHUBMOAT-UHFFFAOYSA-N 2 1 372.410 0.888 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1 ZINC001649432685 1291149155 /nfs/dbraw/zinc/14/91/55/1291149155.db2.gz RIYXRRLHWRRUQP-UKRRQHHQSA-N 2 1 364.494 0.445 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001655650331 1291480766 /nfs/dbraw/zinc/48/07/66/1291480766.db2.gz IAYHQRXPNCWIFO-IRXDYDNUSA-N 2 1 360.506 0.965 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC001674099544 1292132262 /nfs/dbraw/zinc/13/22/62/1292132262.db2.gz MCCBHQVZNKAUHX-CQSZACIVSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC001674099544 1292132264 /nfs/dbraw/zinc/13/22/64/1292132264.db2.gz MCCBHQVZNKAUHX-CQSZACIVSA-N 2 1 351.495 0.323 20 0 FCADMP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cn(C)nc1C ZINC001677313043 1292231648 /nfs/dbraw/zinc/23/16/48/1292231648.db2.gz GMCNONHJZYNPNZ-NVXWUHKLSA-N 2 1 351.495 0.633 20 0 FCADMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cn(C)nc1C ZINC001677313043 1292231654 /nfs/dbraw/zinc/23/16/54/1292231654.db2.gz GMCNONHJZYNPNZ-NVXWUHKLSA-N 2 1 351.495 0.633 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cn(C)nc1C ZINC001677313043 1292231659 /nfs/dbraw/zinc/23/16/59/1292231659.db2.gz GMCNONHJZYNPNZ-NVXWUHKLSA-N 2 1 351.495 0.633 20 0 FCADMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cn(C)nc1C ZINC001677313043 1292231664 /nfs/dbraw/zinc/23/16/64/1292231664.db2.gz GMCNONHJZYNPNZ-NVXWUHKLSA-N 2 1 351.495 0.633 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001685620101 1292575163 /nfs/dbraw/zinc/57/51/63/1292575163.db2.gz USZYFSXVYVNSKF-KZNAEPCWSA-N 2 1 368.522 0.510 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)on1 ZINC001688791288 1294531698 /nfs/dbraw/zinc/53/16/98/1294531698.db2.gz ZKZMIEFQIVEHGE-BPLDGKMQSA-N 2 1 363.462 0.700 20 0 FCADMP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001688875985 1294543352 /nfs/dbraw/zinc/54/33/52/1294543352.db2.gz JQBURKLAIGFWIL-UMVBOHGHSA-N 2 1 365.478 0.559 20 0 FCADMP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001688875985 1294543362 /nfs/dbraw/zinc/54/33/62/1294543362.db2.gz JQBURKLAIGFWIL-UMVBOHGHSA-N 2 1 365.478 0.559 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001689238559 1294698083 /nfs/dbraw/zinc/69/80/83/1294698083.db2.gz BZSGTKRTMKFQTR-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NCC1CCC1 ZINC001689314908 1294739409 /nfs/dbraw/zinc/73/94/09/1294739409.db2.gz QPJQVASVDPBZLE-PBHICJAKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NCC1CCC1 ZINC001689314908 1294739413 /nfs/dbraw/zinc/73/94/13/1294739413.db2.gz QPJQVASVDPBZLE-PBHICJAKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001690337903 1294864833 /nfs/dbraw/zinc/86/48/33/1294864833.db2.gz DOCIUNDEXADXFM-OBPIAQAESA-N 2 1 364.412 0.630 20 0 FCADMP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001690657644 1294879033 /nfs/dbraw/zinc/87/90/33/1294879033.db2.gz SAJDJJRFRIFGIX-BZUAXINKSA-N 2 1 359.474 0.868 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCOCC(F)(F)F ZINC001691658537 1294907829 /nfs/dbraw/zinc/90/78/29/1294907829.db2.gz XIVLXPVCEGATAL-RDBSUJKOSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCOCC(F)(F)F ZINC001691658537 1294907838 /nfs/dbraw/zinc/90/78/38/1294907838.db2.gz XIVLXPVCEGATAL-RDBSUJKOSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCOCC(F)(F)F ZINC001691658537 1294907847 /nfs/dbraw/zinc/90/78/47/1294907847.db2.gz XIVLXPVCEGATAL-RDBSUJKOSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCOCC(F)(F)F ZINC001691658537 1294907856 /nfs/dbraw/zinc/90/78/56/1294907856.db2.gz XIVLXPVCEGATAL-RDBSUJKOSA-N 2 1 367.412 0.865 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001691785888 1294922510 /nfs/dbraw/zinc/92/25/10/1294922510.db2.gz HLXXBXLIFBJBHA-YHUYYLMFSA-N 2 1 359.536 0.636 20 0 FCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001164726643 720519820 /nfs/dbraw/zinc/51/98/20/720519820.db2.gz CIWYUPDLSWVBCV-HNNXBMFYSA-N 3 1 370.505 0.799 20 0 FCADMP Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164743437 720807202 /nfs/dbraw/zinc/80/72/02/720807202.db2.gz FZDKHBLXXABCSY-HZPDHXFCSA-N 2 1 367.457 0.604 20 0 FCADMP [NH3+]Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740759 720821395 /nfs/dbraw/zinc/82/13/95/720821395.db2.gz LFFARPWMSNMCMM-CGTJXYLNSA-N 2 1 368.489 0.906 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@@H]3C2)cn1 ZINC001164767978 721249154 /nfs/dbraw/zinc/24/91/54/721249154.db2.gz XIROHAVXLXSWKK-RDJZCZTQSA-N 2 1 353.474 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001067536407 837465634 /nfs/dbraw/zinc/46/56/34/837465634.db2.gz XEUDFAKMCGQLSW-NVXWUHKLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001067536335 837465880 /nfs/dbraw/zinc/46/58/80/837465880.db2.gz SXIPRGIZYAIGSW-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001067536335 837465889 /nfs/dbraw/zinc/46/58/89/837465889.db2.gz SXIPRGIZYAIGSW-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001067536335 837465896 /nfs/dbraw/zinc/46/58/96/837465896.db2.gz SXIPRGIZYAIGSW-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925122 837564575 /nfs/dbraw/zinc/56/45/75/837564575.db2.gz WOCWXXSPUFDCRI-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925122 837564584 /nfs/dbraw/zinc/56/45/84/837564584.db2.gz WOCWXXSPUFDCRI-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925122 837564593 /nfs/dbraw/zinc/56/45/93/837564593.db2.gz WOCWXXSPUFDCRI-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069925122 837564600 /nfs/dbraw/zinc/56/46/00/837564600.db2.gz WOCWXXSPUFDCRI-PMPSAXMXSA-N 2 1 350.467 0.139 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001069996010 837591725 /nfs/dbraw/zinc/59/17/25/837591725.db2.gz LEKAYFPDQVABHD-CABCVRRESA-N 2 1 352.458 0.854 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[NH+]1CCCC1 ZINC001069996010 837591735 /nfs/dbraw/zinc/59/17/35/837591735.db2.gz LEKAYFPDQVABHD-CABCVRRESA-N 2 1 352.458 0.854 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097410 837616819 /nfs/dbraw/zinc/61/68/19/837616819.db2.gz QSZPFPYVQXETBU-OAGGEKHMSA-N 2 1 360.487 0.833 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097410 837616824 /nfs/dbraw/zinc/61/68/24/837616824.db2.gz QSZPFPYVQXETBU-OAGGEKHMSA-N 2 1 360.487 0.833 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097410 837616825 /nfs/dbraw/zinc/61/68/25/837616825.db2.gz QSZPFPYVQXETBU-OAGGEKHMSA-N 2 1 360.487 0.833 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2n2ccnn2)C1 ZINC001070097410 837616829 /nfs/dbraw/zinc/61/68/29/837616829.db2.gz QSZPFPYVQXETBU-OAGGEKHMSA-N 2 1 360.487 0.833 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[NH+](C)C)CCOCC2)CC[N@H+]1C ZINC001070133660 837622663 /nfs/dbraw/zinc/62/26/63/837622663.db2.gz JSHXNCFZSYBIOE-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070289398 837643574 /nfs/dbraw/zinc/64/35/74/837643574.db2.gz ABEZXEPHRXXXSM-PMPSAXMXSA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001070378156 837650837 /nfs/dbraw/zinc/65/08/37/837650837.db2.gz BJBIQOMDFROELJ-OGWOLHLISA-N 2 1 350.507 0.966 20 0 FCADMP CO[C@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964364 837705476 /nfs/dbraw/zinc/70/54/76/837705476.db2.gz FULWJOUGUKIFSN-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964364 837705482 /nfs/dbraw/zinc/70/54/82/837705482.db2.gz FULWJOUGUKIFSN-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964364 837705487 /nfs/dbraw/zinc/70/54/87/837705487.db2.gz FULWJOUGUKIFSN-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CO[C@H](C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964364 837705493 /nfs/dbraw/zinc/70/54/93/837705493.db2.gz FULWJOUGUKIFSN-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964624 837706218 /nfs/dbraw/zinc/70/62/18/837706218.db2.gz RNMIMEDMSMCBNA-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CC(C)=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964624 837706224 /nfs/dbraw/zinc/70/62/24/837706224.db2.gz RNMIMEDMSMCBNA-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CC(C)=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964624 837706234 /nfs/dbraw/zinc/70/62/34/837706234.db2.gz RNMIMEDMSMCBNA-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CC(C)=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964624 837706244 /nfs/dbraw/zinc/70/62/44/837706244.db2.gz RNMIMEDMSMCBNA-IAGOWNOFSA-N 2 1 350.507 0.943 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001071051747 837719244 /nfs/dbraw/zinc/71/92/44/837719244.db2.gz NEZYHBDLZYFOFB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001071051747 837719251 /nfs/dbraw/zinc/71/92/51/837719251.db2.gz NEZYHBDLZYFOFB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001071051747 837719259 /nfs/dbraw/zinc/71/92/59/837719259.db2.gz NEZYHBDLZYFOFB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001071051747 837719265 /nfs/dbraw/zinc/71/92/65/837719265.db2.gz NEZYHBDLZYFOFB-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001074658914 837820824 /nfs/dbraw/zinc/82/08/24/837820824.db2.gz KOHNROSHIWQROL-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099306931 844015212 /nfs/dbraw/zinc/01/52/12/844015212.db2.gz ZWVHCWRNCYOTID-IJLUTSLNSA-N 2 1 364.412 0.571 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099306931 844015218 /nfs/dbraw/zinc/01/52/18/844015218.db2.gz ZWVHCWRNCYOTID-IJLUTSLNSA-N 2 1 364.412 0.571 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001099341477 844034308 /nfs/dbraw/zinc/03/43/08/844034308.db2.gz FLYHXFWCVDAONG-JHJVBQTASA-N 2 1 360.384 0.209 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)cn1 ZINC001099341489 844034551 /nfs/dbraw/zinc/03/45/51/844034551.db2.gz GAMGSEHIEUPCIM-MGPQQGTHSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)cn1 ZINC001099341489 844034560 /nfs/dbraw/zinc/03/45/60/844034560.db2.gz GAMGSEHIEUPCIM-MGPQQGTHSA-N 2 1 359.396 0.851 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnns3)C2)C1 ZINC001099403305 844043203 /nfs/dbraw/zinc/04/32/03/844043203.db2.gz JSSYXJHILWJIFR-LXZKKBNFSA-N 2 1 365.503 0.587 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnns3)C2)C1 ZINC001099403305 844043209 /nfs/dbraw/zinc/04/32/09/844043209.db2.gz JSSYXJHILWJIFR-LXZKKBNFSA-N 2 1 365.503 0.587 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101231154 844112546 /nfs/dbraw/zinc/11/25/46/844112546.db2.gz UAUWJRRVHZXQID-AOIWGVFYSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231154 844112552 /nfs/dbraw/zinc/11/25/52/844112552.db2.gz UAUWJRRVHZXQID-AOIWGVFYSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231154 844112562 /nfs/dbraw/zinc/11/25/62/844112562.db2.gz UAUWJRRVHZXQID-AOIWGVFYSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101240660 844116518 /nfs/dbraw/zinc/11/65/18/844116518.db2.gz DEFRVTKRSSOMLD-AOIWGVFYSA-N 2 1 351.491 0.117 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268846 844126272 /nfs/dbraw/zinc/12/62/72/844126272.db2.gz ZQXZCVXDFPIXRR-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268846 844126274 /nfs/dbraw/zinc/12/62/74/844126274.db2.gz ZQXZCVXDFPIXRR-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268846 844126276 /nfs/dbraw/zinc/12/62/76/844126276.db2.gz ZQXZCVXDFPIXRR-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277638 844130805 /nfs/dbraw/zinc/13/08/05/844130805.db2.gz QVPCOEQFFQOATN-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277638 844130813 /nfs/dbraw/zinc/13/08/13/844130813.db2.gz QVPCOEQFFQOATN-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277638 844130819 /nfs/dbraw/zinc/13/08/19/844130819.db2.gz QVPCOEQFFQOATN-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277638 844130824 /nfs/dbraw/zinc/13/08/24/844130824.db2.gz QVPCOEQFFQOATN-MTNOOBJLSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828929 836154308 /nfs/dbraw/zinc/15/43/08/836154308.db2.gz BESOHWMLTAYMPO-HZPDHXFCSA-N 2 1 353.511 0.747 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320453 844146401 /nfs/dbraw/zinc/14/64/01/844146401.db2.gz NLENSMDRFLZECI-GJYPPUQNSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320455 844146473 /nfs/dbraw/zinc/14/64/73/844146473.db2.gz NLENSMDRFLZECI-MDZRGWNJSA-N 2 1 353.507 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@]2(C)C1 ZINC001101351830 844154400 /nfs/dbraw/zinc/15/44/00/844154400.db2.gz NRGJAHXUMGTGRU-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353084 844156540 /nfs/dbraw/zinc/15/65/40/844156540.db2.gz SWXCQRJQYNCCQP-AOIWGVFYSA-N 2 1 355.523 0.752 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353274 844156591 /nfs/dbraw/zinc/15/65/91/844156591.db2.gz ZGLXNAVSOKLDNI-FCEWJHQRSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363374 844160611 /nfs/dbraw/zinc/16/06/11/844160611.db2.gz UNDWZDXCZNGXJX-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363374 844160614 /nfs/dbraw/zinc/16/06/14/844160614.db2.gz UNDWZDXCZNGXJX-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363374 844160618 /nfs/dbraw/zinc/16/06/18/844160618.db2.gz UNDWZDXCZNGXJX-MDZRGWNJSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363986 844160647 /nfs/dbraw/zinc/16/06/47/844160647.db2.gz JDGWQPWZDYUIQY-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363986 844160654 /nfs/dbraw/zinc/16/06/54/844160654.db2.gz JDGWQPWZDYUIQY-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363986 844160662 /nfs/dbraw/zinc/16/06/62/844160662.db2.gz JDGWQPWZDYUIQY-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP COCC[N@H+]1C[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101369679 844163407 /nfs/dbraw/zinc/16/34/07/844163407.db2.gz HNSNUIKMTYDQBL-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101365669 844161410 /nfs/dbraw/zinc/16/14/10/844161410.db2.gz CZZHXZSRRCYOAX-GJYPPUQNSA-N 2 1 352.523 0.879 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365799 844162205 /nfs/dbraw/zinc/16/22/05/844162205.db2.gz JWMVSHZGKUTZBK-MDZRGWNJSA-N 2 1 353.507 0.506 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365799 844162212 /nfs/dbraw/zinc/16/22/12/844162212.db2.gz JWMVSHZGKUTZBK-MDZRGWNJSA-N 2 1 353.507 0.506 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365799 844162215 /nfs/dbraw/zinc/16/22/15/844162215.db2.gz JWMVSHZGKUTZBK-MDZRGWNJSA-N 2 1 353.507 0.506 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101397762 844173723 /nfs/dbraw/zinc/17/37/23/844173723.db2.gz GOZNDAHRVGLFDH-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101394000 844173897 /nfs/dbraw/zinc/17/38/97/844173897.db2.gz PGDWZFHELBQFKS-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101394000 844173901 /nfs/dbraw/zinc/17/39/01/844173901.db2.gz PGDWZFHELBQFKS-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101417385 844179108 /nfs/dbraw/zinc/17/91/08/844179108.db2.gz MIRQBSGSLGPNRB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101417385 844179113 /nfs/dbraw/zinc/17/91/13/844179113.db2.gz MIRQBSGSLGPNRB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101417385 844179117 /nfs/dbraw/zinc/17/91/17/844179117.db2.gz MIRQBSGSLGPNRB-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418118 844179980 /nfs/dbraw/zinc/17/99/80/844179980.db2.gz AGOKAGVUJVWBBT-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418118 844179982 /nfs/dbraw/zinc/17/99/82/844179982.db2.gz AGOKAGVUJVWBBT-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101418118 844179984 /nfs/dbraw/zinc/17/99/84/844179984.db2.gz AGOKAGVUJVWBBT-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC001101432215 844184266 /nfs/dbraw/zinc/18/42/66/844184266.db2.gz HYAZVYLIOQPKCK-LMMKCTJWSA-N 2 1 353.507 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001059732000 836641463 /nfs/dbraw/zinc/64/14/63/836641463.db2.gz HQPIWCOCMLGSPF-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101461902 844193249 /nfs/dbraw/zinc/19/32/49/844193249.db2.gz YOSHWKKKCGNRDH-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443273 844186683 /nfs/dbraw/zinc/18/66/83/844186683.db2.gz CAJHWXWISVZAQX-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443273 844186687 /nfs/dbraw/zinc/18/66/87/844186687.db2.gz CAJHWXWISVZAQX-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443273 844186691 /nfs/dbraw/zinc/18/66/91/844186691.db2.gz CAJHWXWISVZAQX-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101461903 844193677 /nfs/dbraw/zinc/19/36/77/844193677.db2.gz YOSHWKKKCGNRDH-NUJGCVRESA-N 2 1 371.547 0.543 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474228 844199252 /nfs/dbraw/zinc/19/92/52/844199252.db2.gz OAUSCWLVQORIMA-AOIWGVFYSA-N 2 1 353.507 0.650 20 0 FCADMP CC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063494149 836771145 /nfs/dbraw/zinc/77/11/45/836771145.db2.gz BZSCGRHLEJZKBX-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063494149 836771150 /nfs/dbraw/zinc/77/11/50/836771150.db2.gz BZSCGRHLEJZKBX-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494149 836771155 /nfs/dbraw/zinc/77/11/55/836771155.db2.gz BZSCGRHLEJZKBX-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494149 836771160 /nfs/dbraw/zinc/77/11/60/836771160.db2.gz BZSCGRHLEJZKBX-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063494233 836771376 /nfs/dbraw/zinc/77/13/76/836771376.db2.gz GKNINJSQCTXPGP-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCC1 ZINC001063494233 836771382 /nfs/dbraw/zinc/77/13/82/836771382.db2.gz GKNINJSQCTXPGP-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494233 836771386 /nfs/dbraw/zinc/77/13/86/836771386.db2.gz GKNINJSQCTXPGP-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063494233 836771392 /nfs/dbraw/zinc/77/13/92/836771392.db2.gz GKNINJSQCTXPGP-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065205270 836819938 /nfs/dbraw/zinc/81/99/38/836819938.db2.gz BHNVWYABWGSSOP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065205270 836819949 /nfs/dbraw/zinc/81/99/49/836819949.db2.gz BHNVWYABWGSSOP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065205270 836819958 /nfs/dbraw/zinc/81/99/58/836819958.db2.gz BHNVWYABWGSSOP-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065257238 836825678 /nfs/dbraw/zinc/82/56/78/836825678.db2.gz ROTGMNIKKMXKTF-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065257238 836825685 /nfs/dbraw/zinc/82/56/85/836825685.db2.gz ROTGMNIKKMXKTF-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065257238 836825692 /nfs/dbraw/zinc/82/56/92/836825692.db2.gz ROTGMNIKKMXKTF-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075620085 837869337 /nfs/dbraw/zinc/86/93/37/837869337.db2.gz YRXCGIYSLNCANB-HRCADAONSA-N 2 1 364.515 0.845 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075620085 837869345 /nfs/dbraw/zinc/86/93/45/837869345.db2.gz YRXCGIYSLNCANB-HRCADAONSA-N 2 1 364.515 0.845 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075620085 837869349 /nfs/dbraw/zinc/86/93/49/837869349.db2.gz YRXCGIYSLNCANB-HRCADAONSA-N 2 1 364.515 0.845 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075620085 837869362 /nfs/dbraw/zinc/86/93/62/837869362.db2.gz YRXCGIYSLNCANB-HRCADAONSA-N 2 1 364.515 0.845 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323764 837983406 /nfs/dbraw/zinc/98/34/06/837983406.db2.gz GJWNSUHJCBPMCN-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574321 838019580 /nfs/dbraw/zinc/01/95/80/838019580.db2.gz DMESDXPGTSMEJN-IXDOHACOSA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076574321 838019593 /nfs/dbraw/zinc/01/95/93/838019593.db2.gz DMESDXPGTSMEJN-IXDOHACOSA-N 2 1 369.531 0.440 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605783 838027807 /nfs/dbraw/zinc/02/78/07/838027807.db2.gz SRFGUIMDGAPJQL-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844055 844292389 /nfs/dbraw/zinc/29/23/89/844292389.db2.gz JJRDGIHPRISLAD-MCIONIFRSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844055 844292395 /nfs/dbraw/zinc/29/23/95/844292395.db2.gz JJRDGIHPRISLAD-MCIONIFRSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101844055 844292401 /nfs/dbraw/zinc/29/24/01/844292401.db2.gz JJRDGIHPRISLAD-MCIONIFRSA-N 2 1 367.412 0.580 20 0 FCADMP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101844055 844292406 /nfs/dbraw/zinc/29/24/06/844292406.db2.gz JJRDGIHPRISLAD-MCIONIFRSA-N 2 1 367.412 0.580 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975862 844357309 /nfs/dbraw/zinc/35/73/09/844357309.db2.gz DEPWMUJVWYCGOK-OIISXLGYSA-N 2 1 350.507 0.491 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982834 844361721 /nfs/dbraw/zinc/36/17/21/844361721.db2.gz LRCYICSXKOSRMY-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982834 844361732 /nfs/dbraw/zinc/36/17/32/844361732.db2.gz LRCYICSXKOSRMY-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982834 844361744 /nfs/dbraw/zinc/36/17/44/844361744.db2.gz LRCYICSXKOSRMY-WCXIOVBPSA-N 2 1 373.563 0.836 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077129129 838754609 /nfs/dbraw/zinc/75/46/09/838754609.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077129129 838754614 /nfs/dbraw/zinc/75/46/14/838754614.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001077129129 838754619 /nfs/dbraw/zinc/75/46/19/838754619.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001077148955 838771165 /nfs/dbraw/zinc/77/11/65/838771165.db2.gz LMSPVSTXMOGYBA-ZJIFWQFVSA-N 2 1 356.511 0.303 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001077148955 838771170 /nfs/dbraw/zinc/77/11/70/838771170.db2.gz LMSPVSTXMOGYBA-ZJIFWQFVSA-N 2 1 356.511 0.303 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C ZINC001102015959 844375024 /nfs/dbraw/zinc/37/50/24/844375024.db2.gz WQXWGJLOFFEOME-RBSFLKMASA-N 2 1 354.474 0.679 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C ZINC001102015959 844375032 /nfs/dbraw/zinc/37/50/32/844375032.db2.gz WQXWGJLOFFEOME-RBSFLKMASA-N 2 1 354.474 0.679 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505012 839001929 /nfs/dbraw/zinc/00/19/29/839001929.db2.gz JWFSUYQZRSCDBD-GVDBMIGSSA-N 2 1 353.507 0.981 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047269 844393936 /nfs/dbraw/zinc/39/39/36/844393936.db2.gz ANZPWFUBQGHANW-QBIMZIAESA-N 2 1 350.507 0.537 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047710 844394472 /nfs/dbraw/zinc/39/44/72/844394472.db2.gz QWRKLCCJMIDGGK-KYJSFNMBSA-N 2 1 352.523 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102048905 844396659 /nfs/dbraw/zinc/39/66/59/844396659.db2.gz UDLBBZXKAFVUQD-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102048905 844396670 /nfs/dbraw/zinc/39/66/70/844396670.db2.gz UDLBBZXKAFVUQD-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102048905 844396682 /nfs/dbraw/zinc/39/66/82/844396682.db2.gz UDLBBZXKAFVUQD-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC[C@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685347 839112077 /nfs/dbraw/zinc/11/20/77/839112077.db2.gz LVTHHCDBTGIVNO-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685347 839112086 /nfs/dbraw/zinc/11/20/86/839112086.db2.gz LVTHHCDBTGIVNO-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)C1 ZINC001077685347 839112092 /nfs/dbraw/zinc/11/20/92/839112092.db2.gz LVTHHCDBTGIVNO-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001102086173 844408919 /nfs/dbraw/zinc/40/89/19/844408919.db2.gz SCVHJPMUAIMOEC-DJIMGWMZSA-N 2 1 352.523 0.879 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001077892646 839209156 /nfs/dbraw/zinc/20/91/56/839209156.db2.gz CCCJRAYSCGEFTI-OPQOLIRYSA-N 2 1 353.507 0.695 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001077892646 839209169 /nfs/dbraw/zinc/20/91/69/839209169.db2.gz CCCJRAYSCGEFTI-OPQOLIRYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001077924144 839233197 /nfs/dbraw/zinc/23/31/97/839233197.db2.gz VNGYLSIVHKGUQK-QZTJIDSGSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078005740 839285820 /nfs/dbraw/zinc/28/58/20/839285820.db2.gz HFXZYDOYIADCBS-FVQBIDKESA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078005740 839285830 /nfs/dbraw/zinc/28/58/30/839285830.db2.gz HFXZYDOYIADCBS-FVQBIDKESA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005740 839285842 /nfs/dbraw/zinc/28/58/42/839285842.db2.gz HFXZYDOYIADCBS-FVQBIDKESA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005740 839285854 /nfs/dbraw/zinc/28/58/54/839285854.db2.gz HFXZYDOYIADCBS-FVQBIDKESA-N 2 1 352.504 0.763 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102122686 844424149 /nfs/dbraw/zinc/42/41/49/844424149.db2.gz HAMCKINKGVNYLX-HZPDHXFCSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174605 839378071 /nfs/dbraw/zinc/37/80/71/839378071.db2.gz QGCSEBSDCAZSBI-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174605 839378086 /nfs/dbraw/zinc/37/80/86/839378086.db2.gz QGCSEBSDCAZSBI-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174605 839378098 /nfs/dbraw/zinc/37/80/98/839378098.db2.gz QGCSEBSDCAZSBI-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3Cl)C[C@H]2O)C1 ZINC001078174605 839378108 /nfs/dbraw/zinc/37/81/08/839378108.db2.gz QGCSEBSDCAZSBI-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174375 839378278 /nfs/dbraw/zinc/37/82/78/839378278.db2.gz JQLHVZQLRZFQKP-KBRIMQKVSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174375 839378287 /nfs/dbraw/zinc/37/82/87/839378287.db2.gz JQLHVZQLRZFQKP-KBRIMQKVSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174375 839378298 /nfs/dbraw/zinc/37/82/98/839378298.db2.gz JQLHVZQLRZFQKP-KBRIMQKVSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174375 839378309 /nfs/dbraw/zinc/37/83/09/839378309.db2.gz JQLHVZQLRZFQKP-KBRIMQKVSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174374 839379831 /nfs/dbraw/zinc/37/98/31/839379831.db2.gz JQLHVZQLRZFQKP-IAOVAPTHSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174374 839379846 /nfs/dbraw/zinc/37/98/46/839379846.db2.gz JQLHVZQLRZFQKP-IAOVAPTHSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174374 839379859 /nfs/dbraw/zinc/37/98/59/839379859.db2.gz JQLHVZQLRZFQKP-IAOVAPTHSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@H]2O)C1 ZINC001078174374 839379869 /nfs/dbraw/zinc/37/98/69/839379869.db2.gz JQLHVZQLRZFQKP-IAOVAPTHSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174777 839382625 /nfs/dbraw/zinc/38/26/25/839382625.db2.gz RXGFUBWNKLEQLK-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174777 839382637 /nfs/dbraw/zinc/38/26/37/839382637.db2.gz RXGFUBWNKLEQLK-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174777 839382655 /nfs/dbraw/zinc/38/26/55/839382655.db2.gz RXGFUBWNKLEQLK-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@H]2O)C1 ZINC001078174777 839382664 /nfs/dbraw/zinc/38/26/64/839382664.db2.gz RXGFUBWNKLEQLK-KBRIMQKVSA-N 2 1 367.877 0.832 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001078183528 839386385 /nfs/dbraw/zinc/38/63/85/839386385.db2.gz VXWNDNLGOGWRQT-BRWVUGGUSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001078183528 839386399 /nfs/dbraw/zinc/38/63/99/839386399.db2.gz VXWNDNLGOGWRQT-BRWVUGGUSA-N 2 1 350.463 0.294 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC001078404056 839458282 /nfs/dbraw/zinc/45/82/82/839458282.db2.gz QGFUKYGMIRDZRM-CWRNSKLLSA-N 2 1 367.519 0.976 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273787 839502887 /nfs/dbraw/zinc/50/28/87/839502887.db2.gz QIFGVYSBVONPJC-IXDOHACOSA-N 2 1 351.491 0.524 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215520 844447209 /nfs/dbraw/zinc/44/72/09/844447209.db2.gz RQHJHVJLVPIHFZ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079952219 839630120 /nfs/dbraw/zinc/63/01/20/839630120.db2.gz YVLWGBSKCQSBJU-OIISXLGYSA-N 2 1 352.523 0.972 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290831 844459680 /nfs/dbraw/zinc/45/96/80/844459680.db2.gz WNMGZNDIGWBLSY-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290703 844459714 /nfs/dbraw/zinc/45/97/14/844459714.db2.gz RNSGUGCQDNYRSB-HZPDHXFCSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254986 839691764 /nfs/dbraw/zinc/69/17/64/839691764.db2.gz LCTVLMRNDUQTIU-MGPQQGTHSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254986 839691767 /nfs/dbraw/zinc/69/17/67/839691767.db2.gz LCTVLMRNDUQTIU-MGPQQGTHSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382414 839715375 /nfs/dbraw/zinc/71/53/75/839715375.db2.gz KHJGGJXDJRTBFE-IJEWVQPXSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382414 839715383 /nfs/dbraw/zinc/71/53/83/839715383.db2.gz KHJGGJXDJRTBFE-IJEWVQPXSA-N 2 1 357.520 0.199 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312814 844465252 /nfs/dbraw/zinc/46/52/52/844465252.db2.gz PBSMTIFOZLKFOO-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319062 844465804 /nfs/dbraw/zinc/46/58/04/844465804.db2.gz XEQQUBZBGKTGKT-HUUCEWRRSA-N 2 1 350.463 0.532 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320841 844466509 /nfs/dbraw/zinc/46/65/09/844466509.db2.gz VWUVWYHVQNKROX-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320409 844466621 /nfs/dbraw/zinc/46/66/21/844466621.db2.gz AXHPNNRUNXVVSB-CHWSQXEVSA-N 2 1 366.428 0.643 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320409 844466625 /nfs/dbraw/zinc/46/66/25/844466625.db2.gz AXHPNNRUNXVVSB-CHWSQXEVSA-N 2 1 366.428 0.643 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558814 839746444 /nfs/dbraw/zinc/74/64/44/839746444.db2.gz FVMRFFWYTJJCLO-GDBMZVCRSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935482 839836779 /nfs/dbraw/zinc/83/67/79/839836779.db2.gz WPXWKCUFDVOUCC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935482 839836782 /nfs/dbraw/zinc/83/67/82/839836782.db2.gz WPXWKCUFDVOUCC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935482 839836786 /nfs/dbraw/zinc/83/67/86/839836786.db2.gz WPXWKCUFDVOUCC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935482 839836791 /nfs/dbraw/zinc/83/67/91/839836791.db2.gz WPXWKCUFDVOUCC-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102368220 844476242 /nfs/dbraw/zinc/47/62/42/844476242.db2.gz LLPWBTQPCIATKL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102368220 844476243 /nfs/dbraw/zinc/47/62/43/844476243.db2.gz LLPWBTQPCIATKL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102368220 844476250 /nfs/dbraw/zinc/47/62/50/844476250.db2.gz LLPWBTQPCIATKL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375356 844479346 /nfs/dbraw/zinc/47/93/46/844479346.db2.gz DQZABNSRYCXBCK-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375356 844479348 /nfs/dbraw/zinc/47/93/48/844479348.db2.gz DQZABNSRYCXBCK-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375356 844479350 /nfs/dbraw/zinc/47/93/50/844479350.db2.gz DQZABNSRYCXBCK-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375646 844481178 /nfs/dbraw/zinc/48/11/78/844481178.db2.gz VFTFHXAYVKOOHL-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375646 844481180 /nfs/dbraw/zinc/48/11/80/844481180.db2.gz VFTFHXAYVKOOHL-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375646 844481184 /nfs/dbraw/zinc/48/11/84/844481184.db2.gz VFTFHXAYVKOOHL-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375646 844481190 /nfs/dbraw/zinc/48/11/90/844481190.db2.gz VFTFHXAYVKOOHL-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694670 840001845 /nfs/dbraw/zinc/00/18/45/840001845.db2.gz PFSYMWNKXUNDBQ-DTZQCDIJSA-N 2 1 352.504 0.841 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694670 840001849 /nfs/dbraw/zinc/00/18/49/840001849.db2.gz PFSYMWNKXUNDBQ-DTZQCDIJSA-N 2 1 352.504 0.841 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694670 840001859 /nfs/dbraw/zinc/00/18/59/840001859.db2.gz PFSYMWNKXUNDBQ-DTZQCDIJSA-N 2 1 352.504 0.841 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694670 840001862 /nfs/dbraw/zinc/00/18/62/840001862.db2.gz PFSYMWNKXUNDBQ-DTZQCDIJSA-N 2 1 352.504 0.841 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466683 844509937 /nfs/dbraw/zinc/50/99/37/844509937.db2.gz QSMQFFNHMDRAOO-DJIMGWMZSA-N 2 1 352.479 0.663 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466683 844509941 /nfs/dbraw/zinc/50/99/41/844509941.db2.gz QSMQFFNHMDRAOO-DJIMGWMZSA-N 2 1 352.479 0.663 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CCC1 ZINC001082096056 840183353 /nfs/dbraw/zinc/18/33/53/840183353.db2.gz WRNIIQSOUXPJRA-FGTMMUONSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095713 840183470 /nfs/dbraw/zinc/18/34/70/840183470.db2.gz FMGMHURRSQOBPR-NVXWUHKLSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095713 840183473 /nfs/dbraw/zinc/18/34/73/840183473.db2.gz FMGMHURRSQOBPR-NVXWUHKLSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469234 844512023 /nfs/dbraw/zinc/51/20/23/844512023.db2.gz XAJZARRLRDNFQI-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102469234 844512027 /nfs/dbraw/zinc/51/20/27/844512027.db2.gz XAJZARRLRDNFQI-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138137 840207255 /nfs/dbraw/zinc/20/72/55/840207255.db2.gz PXIQBSRYIUBGEL-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138137 840207268 /nfs/dbraw/zinc/20/72/68/840207268.db2.gz PXIQBSRYIUBGEL-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138137 840207279 /nfs/dbraw/zinc/20/72/79/840207279.db2.gz PXIQBSRYIUBGEL-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001102475277 844516572 /nfs/dbraw/zinc/51/65/72/844516572.db2.gz GZPWRJDXMOCKPT-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222125 840247290 /nfs/dbraw/zinc/24/72/90/840247290.db2.gz HKHYPOIBJHEGGI-DJIMGWMZSA-N 2 1 351.495 0.920 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082329043 840314411 /nfs/dbraw/zinc/31/44/11/840314411.db2.gz YEYLMUXQTWBAPW-HUUCEWRRSA-N 2 1 364.515 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082448293 840416951 /nfs/dbraw/zinc/41/69/51/840416951.db2.gz KYIONDCQVIYAPW-UPJWGTAASA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082448293 840416957 /nfs/dbraw/zinc/41/69/57/840416957.db2.gz KYIONDCQVIYAPW-UPJWGTAASA-N 2 1 356.421 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082518035 840446715 /nfs/dbraw/zinc/44/67/15/840446715.db2.gz WATGVSVPKYCGCS-TZMCWYRMSA-N 2 1 363.491 0.547 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082544824 840457243 /nfs/dbraw/zinc/45/72/43/840457243.db2.gz UEFCTWRBVUZYHF-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082558372 840464663 /nfs/dbraw/zinc/46/46/63/840464663.db2.gz MXHIZNXUQWROET-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082570610 840470204 /nfs/dbraw/zinc/47/02/04/840470204.db2.gz SLMWFMNLDFFAJL-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511284 844542435 /nfs/dbraw/zinc/54/24/35/844542435.db2.gz QXNMLFRKUCLZMP-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511284 844542440 /nfs/dbraw/zinc/54/24/40/844542440.db2.gz QXNMLFRKUCLZMP-HUUCEWRRSA-N 2 1 352.483 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513497 844545234 /nfs/dbraw/zinc/54/52/34/844545234.db2.gz MZHAMIDKJYISBU-MGPQQGTHSA-N 2 1 369.428 0.562 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)CS(C)(=O)=O ZINC001102514480 844546201 /nfs/dbraw/zinc/54/62/01/844546201.db2.gz YQYDWTCSZWKXPU-ARFHVFGLSA-N 2 1 371.547 0.447 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514211 844546470 /nfs/dbraw/zinc/54/64/70/844546470.db2.gz QMRSOEAAEDVKJR-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514405 844546562 /nfs/dbraw/zinc/54/65/62/844546562.db2.gz WGSOBUFZUHPQBV-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514405 844546565 /nfs/dbraw/zinc/54/65/65/844546565.db2.gz WGSOBUFZUHPQBV-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514405 844546569 /nfs/dbraw/zinc/54/65/69/844546569.db2.gz WGSOBUFZUHPQBV-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703224 840530814 /nfs/dbraw/zinc/53/08/14/840530814.db2.gz FFLSVKIEKCQAQW-BPLDGKMQSA-N 2 1 367.519 0.892 20 0 FCADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703224 840530821 /nfs/dbraw/zinc/53/08/21/840530821.db2.gz FFLSVKIEKCQAQW-BPLDGKMQSA-N 2 1 367.519 0.892 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102525891 844553462 /nfs/dbraw/zinc/55/34/62/844553462.db2.gz ZWQHZVUTDYYHLR-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102525891 844553465 /nfs/dbraw/zinc/55/34/65/844553465.db2.gz ZWQHZVUTDYYHLR-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520711 844550370 /nfs/dbraw/zinc/55/03/70/844550370.db2.gz VVLACMGAANDQOL-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520915 844550512 /nfs/dbraw/zinc/55/05/12/844550512.db2.gz HRSJLJGGCSHAPH-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520915 844550517 /nfs/dbraw/zinc/55/05/17/844550517.db2.gz HRSJLJGGCSHAPH-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102525891 844553470 /nfs/dbraw/zinc/55/34/70/844553470.db2.gz ZWQHZVUTDYYHLR-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082859999 840586367 /nfs/dbraw/zinc/58/63/67/840586367.db2.gz TWUVUUGQBMJLTE-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082943723 840616836 /nfs/dbraw/zinc/61/68/36/840616836.db2.gz YRVWPERDQLBWIS-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCC4)C[C@@H]32)C1 ZINC001083174537 840773172 /nfs/dbraw/zinc/77/31/72/840773172.db2.gz NHHUJIMDSPJXNV-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCC4)C[C@@H]32)C1 ZINC001083174537 840773180 /nfs/dbraw/zinc/77/31/80/840773180.db2.gz NHHUJIMDSPJXNV-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCC4)C[C@@H]32)C1 ZINC001083174537 840773187 /nfs/dbraw/zinc/77/31/87/840773187.db2.gz NHHUJIMDSPJXNV-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]32)C1 ZINC001083174537 840773198 /nfs/dbraw/zinc/77/31/98/840773198.db2.gz NHHUJIMDSPJXNV-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)C1CC1 ZINC001102579162 844573385 /nfs/dbraw/zinc/57/33/85/844573385.db2.gz KXNAIDDSIOQGAH-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579739 844574662 /nfs/dbraw/zinc/57/46/62/844574662.db2.gz MWFUWRYDSJHBBA-OWCLPIDISA-N 2 1 357.520 0.201 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579763 844575141 /nfs/dbraw/zinc/57/51/41/844575141.db2.gz OJPVEJGLKQWTKK-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600062 844590324 /nfs/dbraw/zinc/59/03/24/844590324.db2.gz JYQHHESXAGLMNJ-NUJGCVRESA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102601008 844592460 /nfs/dbraw/zinc/59/24/60/844592460.db2.gz GUCODYJVVUQOCC-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102601008 844592461 /nfs/dbraw/zinc/59/24/61/844592461.db2.gz GUCODYJVVUQOCC-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102601008 844592465 /nfs/dbraw/zinc/59/24/65/844592465.db2.gz GUCODYJVVUQOCC-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600543 844592834 /nfs/dbraw/zinc/59/28/34/844592834.db2.gz JRFPFYOPNCMGLB-BZUAXINKSA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600543 844592846 /nfs/dbraw/zinc/59/28/46/844592846.db2.gz JRFPFYOPNCMGLB-BZUAXINKSA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102600543 844592855 /nfs/dbraw/zinc/59/28/55/844592855.db2.gz JRFPFYOPNCMGLB-BZUAXINKSA-N 2 1 359.536 0.445 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465703 841036530 /nfs/dbraw/zinc/03/65/30/841036530.db2.gz OHUZQJODOSFJOF-KFWWJZLASA-N 2 1 350.488 0.455 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465703 841036539 /nfs/dbraw/zinc/03/65/39/841036539.db2.gz OHUZQJODOSFJOF-KFWWJZLASA-N 2 1 350.488 0.455 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466246 841038564 /nfs/dbraw/zinc/03/85/64/841038564.db2.gz MJIJLVDXABOGHK-OAGGEKHMSA-N 2 1 350.488 0.189 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466246 841038577 /nfs/dbraw/zinc/03/85/77/841038577.db2.gz MJIJLVDXABOGHK-OAGGEKHMSA-N 2 1 350.488 0.189 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469696 841041304 /nfs/dbraw/zinc/04/13/04/841041304.db2.gz DREOHEDROGSSNA-BDXSIMOUSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523077 841120686 /nfs/dbraw/zinc/12/06/86/841120686.db2.gz LPRSHUCSGDEEBE-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523077 841120688 /nfs/dbraw/zinc/12/06/88/841120688.db2.gz LPRSHUCSGDEEBE-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523077 841120690 /nfs/dbraw/zinc/12/06/90/841120690.db2.gz LPRSHUCSGDEEBE-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083524679 841124704 /nfs/dbraw/zinc/12/47/04/841124704.db2.gz GERGEYNECADAIB-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083524679 841124708 /nfs/dbraw/zinc/12/47/08/841124708.db2.gz GERGEYNECADAIB-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083524679 841124712 /nfs/dbraw/zinc/12/47/12/841124712.db2.gz GERGEYNECADAIB-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@@H]2O)O1 ZINC001083565150 841175969 /nfs/dbraw/zinc/17/59/69/841175969.db2.gz DEHOXYARAVYHEU-NRSFXHEJSA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@@H]2O)O1 ZINC001083565150 841175975 /nfs/dbraw/zinc/17/59/75/841175975.db2.gz DEHOXYARAVYHEU-NRSFXHEJSA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2O)O1 ZINC001083565150 841175983 /nfs/dbraw/zinc/17/59/83/841175983.db2.gz DEHOXYARAVYHEU-NRSFXHEJSA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2O)O1 ZINC001083565150 841175991 /nfs/dbraw/zinc/17/59/91/841175991.db2.gz DEHOXYARAVYHEU-NRSFXHEJSA-N 2 1 351.491 0.757 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCC1 ZINC001083602069 841220975 /nfs/dbraw/zinc/22/09/75/841220975.db2.gz CKYGDVVUXKYOBO-IXDOHACOSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723623 841358069 /nfs/dbraw/zinc/35/80/69/841358069.db2.gz RXKQAXAXXMSBAF-IXDOHACOSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723623 841358086 /nfs/dbraw/zinc/35/80/86/841358086.db2.gz RXKQAXAXXMSBAF-IXDOHACOSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723623 841358093 /nfs/dbraw/zinc/35/80/93/841358093.db2.gz RXKQAXAXXMSBAF-IXDOHACOSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)C1 ZINC001083723623 841358107 /nfs/dbraw/zinc/35/81/07/841358107.db2.gz RXKQAXAXXMSBAF-IXDOHACOSA-N 2 1 367.515 0.561 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727068 841368102 /nfs/dbraw/zinc/36/81/02/841368102.db2.gz JMQBMCKGYSFQCF-HNKHHVNMSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727068 841368112 /nfs/dbraw/zinc/36/81/12/841368112.db2.gz JMQBMCKGYSFQCF-HNKHHVNMSA-N 2 1 366.531 0.886 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727068 841368129 /nfs/dbraw/zinc/36/81/29/841368129.db2.gz JMQBMCKGYSFQCF-HNKHHVNMSA-N 2 1 366.531 0.886 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783040 841433725 /nfs/dbraw/zinc/43/37/25/841433725.db2.gz XRUAKSRHUHXNDQ-BBWFWOEESA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783040 841433729 /nfs/dbraw/zinc/43/37/29/841433729.db2.gz XRUAKSRHUHXNDQ-BBWFWOEESA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783040 841433732 /nfs/dbraw/zinc/43/37/32/841433732.db2.gz XRUAKSRHUHXNDQ-BBWFWOEESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833470 861219315 /nfs/dbraw/zinc/21/93/15/861219315.db2.gz IMZUSWPMEDKVRZ-LJQANCHMSA-N 3 1 352.523 0.583 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054181 841668932 /nfs/dbraw/zinc/66/89/32/841668932.db2.gz ZNUHAMAKRLWKSK-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054181 841668942 /nfs/dbraw/zinc/66/89/42/841668942.db2.gz ZNUHAMAKRLWKSK-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001084054181 841668948 /nfs/dbraw/zinc/66/89/48/841668948.db2.gz ZNUHAMAKRLWKSK-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056695 841670916 /nfs/dbraw/zinc/67/09/16/841670916.db2.gz KHHLXAISXHBBCK-BMFZPTHFSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056695 841670922 /nfs/dbraw/zinc/67/09/22/841670922.db2.gz KHHLXAISXHBBCK-BMFZPTHFSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056695 841670932 /nfs/dbraw/zinc/67/09/32/841670932.db2.gz KHHLXAISXHBBCK-BMFZPTHFSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056695 841670942 /nfs/dbraw/zinc/67/09/42/841670942.db2.gz KHHLXAISXHBBCK-BMFZPTHFSA-N 2 1 351.422 0.318 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078860 841689887 /nfs/dbraw/zinc/68/98/87/841689887.db2.gz KXJHEVZPRNYVME-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078860 841689894 /nfs/dbraw/zinc/68/98/94/841689894.db2.gz KXJHEVZPRNYVME-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078860 841689899 /nfs/dbraw/zinc/68/98/99/841689899.db2.gz KXJHEVZPRNYVME-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001084078860 841689902 /nfs/dbraw/zinc/68/99/02/841689902.db2.gz KXJHEVZPRNYVME-IXDOHACOSA-N 2 1 351.491 0.449 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CCC[N@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001275879327 861242456 /nfs/dbraw/zinc/24/24/56/861242456.db2.gz NANJQHVDIUXIGG-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878235 861239669 /nfs/dbraw/zinc/23/96/69/861239669.db2.gz JIYVUTXYRFEXEX-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001275878235 861239677 /nfs/dbraw/zinc/23/96/77/861239677.db2.gz JIYVUTXYRFEXEX-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001275878235 861239685 /nfs/dbraw/zinc/23/96/85/861239685.db2.gz JIYVUTXYRFEXEX-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001275878235 861239695 /nfs/dbraw/zinc/23/96/95/861239695.db2.gz JIYVUTXYRFEXEX-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877801 861241052 /nfs/dbraw/zinc/24/10/52/861241052.db2.gz GEMDJTVFZLFJKE-BEFAXECRSA-N 2 1 351.491 0.999 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877625 861241111 /nfs/dbraw/zinc/24/11/11/861241111.db2.gz CKURMUMVEHWVRJ-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877625 861241120 /nfs/dbraw/zinc/24/11/20/861241120.db2.gz CKURMUMVEHWVRJ-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877625 861241131 /nfs/dbraw/zinc/24/11/31/861241131.db2.gz CKURMUMVEHWVRJ-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275878084 861241477 /nfs/dbraw/zinc/24/14/77/861241477.db2.gz GYTNUUJTSCEQSU-LPHOPBHVSA-N 2 1 350.507 0.907 20 0 FCADMP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878890 861244226 /nfs/dbraw/zinc/24/42/26/861244226.db2.gz MQFANLMTCKRCPG-KVSKMBFKSA-N 2 1 351.491 0.857 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881214 861245868 /nfs/dbraw/zinc/24/58/68/861245868.db2.gz XXNYCCQZYDWENQ-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275881214 861245876 /nfs/dbraw/zinc/24/58/76/861245876.db2.gz XXNYCCQZYDWENQ-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275881214 861245886 /nfs/dbraw/zinc/24/58/86/861245886.db2.gz XXNYCCQZYDWENQ-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CCOCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275881214 861245898 /nfs/dbraw/zinc/24/58/98/861245898.db2.gz XXNYCCQZYDWENQ-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881235 861246493 /nfs/dbraw/zinc/24/64/93/861246493.db2.gz YIUZQTQWIJMQJO-MAUKXSAKSA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O)OC ZINC001275881235 861246502 /nfs/dbraw/zinc/24/65/02/861246502.db2.gz YIUZQTQWIJMQJO-MAUKXSAKSA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O)OC ZINC001275881235 861246511 /nfs/dbraw/zinc/24/65/11/861246511.db2.gz YIUZQTQWIJMQJO-MAUKXSAKSA-N 2 1 355.479 0.250 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001084745046 841906665 /nfs/dbraw/zinc/90/66/65/841906665.db2.gz FUFUEHYTTXSIFM-JFIYKMOQSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844523 841932365 /nfs/dbraw/zinc/93/23/65/841932365.db2.gz XJEKKBINFDBCEV-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844523 841932370 /nfs/dbraw/zinc/93/23/70/841932370.db2.gz XJEKKBINFDBCEV-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844523 841932377 /nfs/dbraw/zinc/93/23/77/841932377.db2.gz XJEKKBINFDBCEV-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOC4CCC4)C[C@H]32)C1 ZINC001084844523 841932382 /nfs/dbraw/zinc/93/23/82/841932382.db2.gz XJEKKBINFDBCEV-KBAYOESNSA-N 2 1 351.491 0.809 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085093699 842014814 /nfs/dbraw/zinc/01/48/14/842014814.db2.gz WHTNAJHKRKIWRL-BBWFWOEESA-N 2 1 369.531 0.440 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085093699 842014825 /nfs/dbraw/zinc/01/48/25/842014825.db2.gz WHTNAJHKRKIWRL-BBWFWOEESA-N 2 1 369.531 0.440 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)O1 ZINC001085242983 842055398 /nfs/dbraw/zinc/05/53/98/842055398.db2.gz PQFBUAAATWJLER-DTZQCDIJSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)O1 ZINC001085242983 842055413 /nfs/dbraw/zinc/05/54/13/842055413.db2.gz PQFBUAAATWJLER-DTZQCDIJSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001086090135 842119063 /nfs/dbraw/zinc/11/90/63/842119063.db2.gz ISYNXBSIHQYWFU-MXASKKJJSA-N 2 1 371.547 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001086091043 842120773 /nfs/dbraw/zinc/12/07/73/842120773.db2.gz FXXXBCYIXWUPLH-AIEDFZFUSA-N 2 1 350.463 0.006 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086370855 842128426 /nfs/dbraw/zinc/12/84/26/842128426.db2.gz CBQDLOPGCKXGPF-OVYGPGRDSA-N 2 1 371.547 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001086370911 842128650 /nfs/dbraw/zinc/12/86/50/842128650.db2.gz FXXXBCYIXWUPLH-BTFPBAQTSA-N 2 1 350.463 0.006 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001086370912 842128694 /nfs/dbraw/zinc/12/86/94/842128694.db2.gz FXXXBCYIXWUPLH-YYFQZIEXSA-N 2 1 350.463 0.006 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001086400368 842130899 /nfs/dbraw/zinc/13/08/99/842130899.db2.gz DLZUTBOPJIJCRL-AAVRWANBSA-N 2 1 369.897 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001086400368 842130904 /nfs/dbraw/zinc/13/09/04/842130904.db2.gz DLZUTBOPJIJCRL-AAVRWANBSA-N 2 1 369.897 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001086700048 842154031 /nfs/dbraw/zinc/15/40/31/842154031.db2.gz UXNQCIAXBVFEDK-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086712201 842158668 /nfs/dbraw/zinc/15/86/68/842158668.db2.gz VHJJVDMMKPNFMC-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087059409 842253655 /nfs/dbraw/zinc/25/36/55/842253655.db2.gz DFYSJARVXKSPGG-FVQBIDKESA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]C(C)C ZINC001087067443 842263673 /nfs/dbraw/zinc/26/36/73/842263673.db2.gz CBXUMQPXDSEZHG-CBYDULDESA-N 2 1 351.491 0.711 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087096386 842286694 /nfs/dbraw/zinc/28/66/94/842286694.db2.gz KPPZDZXNGISGAB-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087096716 842286914 /nfs/dbraw/zinc/28/69/14/842286914.db2.gz YYQSTFSBEQAKAW-RRFJBIMHSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087101076 842289577 /nfs/dbraw/zinc/28/95/77/842289577.db2.gz RVGFHFNCXLUPFD-RRFJBIMHSA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087101076 842289585 /nfs/dbraw/zinc/28/95/85/842289585.db2.gz RVGFHFNCXLUPFD-RRFJBIMHSA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087101071 842290289 /nfs/dbraw/zinc/29/02/89/842290289.db2.gz RQPRVNZTCKGRKZ-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCN1CCCC1=O ZINC001087578385 842362606 /nfs/dbraw/zinc/36/26/06/842362606.db2.gz RUBSECTVTDXSGR-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCN1CCCC1=O ZINC001087578385 842362618 /nfs/dbraw/zinc/36/26/18/842362618.db2.gz RUBSECTVTDXSGR-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCN1CCCC1=O ZINC001087578385 842362630 /nfs/dbraw/zinc/36/26/30/842362630.db2.gz RUBSECTVTDXSGR-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)N1CCC1 ZINC001087578909 842362946 /nfs/dbraw/zinc/36/29/46/842362946.db2.gz WQWWESMIQYWSHM-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578909 842362962 /nfs/dbraw/zinc/36/29/62/842362962.db2.gz WQWWESMIQYWSHM-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578909 842362971 /nfs/dbraw/zinc/36/29/71/842362971.db2.gz WQWWESMIQYWSHM-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087726883 842415785 /nfs/dbraw/zinc/41/57/85/842415785.db2.gz WAIKSIFUEILBMV-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087726883 842415792 /nfs/dbraw/zinc/41/57/92/842415792.db2.gz WAIKSIFUEILBMV-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087726883 842415797 /nfs/dbraw/zinc/41/57/97/842415797.db2.gz WAIKSIFUEILBMV-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087726883 842415802 /nfs/dbraw/zinc/41/58/02/842415802.db2.gz WAIKSIFUEILBMV-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087829366 842442633 /nfs/dbraw/zinc/44/26/33/842442633.db2.gz YPRHZHYBOHTLIB-LSDHHAIUSA-N 2 1 350.463 0.200 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088010862 842499652 /nfs/dbraw/zinc/49/96/52/842499652.db2.gz OBJWAMKAIAJASL-OWCLPIDISA-N 2 1 351.495 0.132 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106763 842532548 /nfs/dbraw/zinc/53/25/48/842532548.db2.gz PRJJOXKFKZYIFQ-QWQRMKEZSA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106763 842532553 /nfs/dbraw/zinc/53/25/53/842532553.db2.gz PRJJOXKFKZYIFQ-QWQRMKEZSA-N 2 1 354.470 0.465 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088106763 842532559 /nfs/dbraw/zinc/53/25/59/842532559.db2.gz PRJJOXKFKZYIFQ-QWQRMKEZSA-N 2 1 354.470 0.465 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107064 842532786 /nfs/dbraw/zinc/53/27/86/842532786.db2.gz FPFIQEQPWRIYOA-OWCLPIDISA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107064 842532798 /nfs/dbraw/zinc/53/27/98/842532798.db2.gz FPFIQEQPWRIYOA-OWCLPIDISA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107064 842532809 /nfs/dbraw/zinc/53/28/09/842532809.db2.gz FPFIQEQPWRIYOA-OWCLPIDISA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001089037373 842750338 /nfs/dbraw/zinc/75/03/38/842750338.db2.gz BVCOJWYHRDLTCV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001089037373 842750345 /nfs/dbraw/zinc/75/03/45/842750345.db2.gz BVCOJWYHRDLTCV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001089037373 842750350 /nfs/dbraw/zinc/75/03/50/842750350.db2.gz BVCOJWYHRDLTCV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001089037373 842750355 /nfs/dbraw/zinc/75/03/55/842750355.db2.gz BVCOJWYHRDLTCV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001091677016 843070071 /nfs/dbraw/zinc/07/00/71/843070071.db2.gz IQSRQWYSZHFZEP-RYRKJORJSA-N 2 1 369.531 0.153 20 0 FCADMP C[C@]12CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001091677016 843070084 /nfs/dbraw/zinc/07/00/84/843070084.db2.gz IQSRQWYSZHFZEP-RYRKJORJSA-N 2 1 369.531 0.153 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001091677015 843070751 /nfs/dbraw/zinc/07/07/51/843070751.db2.gz IQSRQWYSZHFZEP-NUJGCVRESA-N 2 1 369.531 0.153 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001091677015 843070764 /nfs/dbraw/zinc/07/07/64/843070764.db2.gz IQSRQWYSZHFZEP-NUJGCVRESA-N 2 1 369.531 0.153 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809580 843102859 /nfs/dbraw/zinc/10/28/59/843102859.db2.gz LKWNEWIYYVJEFX-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809580 843102864 /nfs/dbraw/zinc/10/28/64/843102864.db2.gz LKWNEWIYYVJEFX-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809580 843102868 /nfs/dbraw/zinc/10/28/68/843102868.db2.gz LKWNEWIYYVJEFX-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014922 843141488 /nfs/dbraw/zinc/14/14/88/843141488.db2.gz GYVDVPRRZSBVHG-CLCXKQKWSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014922 843141491 /nfs/dbraw/zinc/14/14/91/843141491.db2.gz GYVDVPRRZSBVHG-CLCXKQKWSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014922 843141493 /nfs/dbraw/zinc/14/14/93/843141493.db2.gz GYVDVPRRZSBVHG-CLCXKQKWSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092507311 843223926 /nfs/dbraw/zinc/22/39/26/843223926.db2.gz AKYDDXNQHUTSSH-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092507311 843223938 /nfs/dbraw/zinc/22/39/38/843223938.db2.gz AKYDDXNQHUTSSH-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092507311 843223950 /nfs/dbraw/zinc/22/39/50/843223950.db2.gz AKYDDXNQHUTSSH-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092523100 843228763 /nfs/dbraw/zinc/22/87/63/843228763.db2.gz AIXQUYCORRGTBD-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092523100 843228775 /nfs/dbraw/zinc/22/87/75/843228775.db2.gz AIXQUYCORRGTBD-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092523100 843228787 /nfs/dbraw/zinc/22/87/87/843228787.db2.gz AIXQUYCORRGTBD-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092523100 843228796 /nfs/dbraw/zinc/22/87/96/843228796.db2.gz AIXQUYCORRGTBD-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092616183 843253201 /nfs/dbraw/zinc/25/32/01/843253201.db2.gz WIKIUCPNYLAEAV-OWCLPIDISA-N 2 1 351.495 0.777 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919286 843342014 /nfs/dbraw/zinc/34/20/14/843342014.db2.gz IRSHNRTZUQDODG-UMVBOHGHSA-N 2 1 350.463 0.773 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937414 843349013 /nfs/dbraw/zinc/34/90/13/843349013.db2.gz QKIGBESZMWLIQX-GDBMZVCRSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001092968684 843355480 /nfs/dbraw/zinc/35/54/80/843355480.db2.gz XYDUCSFVABTSBM-HUUCEWRRSA-N 2 1 350.463 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001092968684 843355493 /nfs/dbraw/zinc/35/54/93/843355493.db2.gz XYDUCSFVABTSBM-HUUCEWRRSA-N 2 1 350.463 0.951 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690689 843455726 /nfs/dbraw/zinc/45/57/26/843455726.db2.gz BWFNAOJSVZPTSA-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690689 843455731 /nfs/dbraw/zinc/45/57/31/843455731.db2.gz BWFNAOJSVZPTSA-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690241 843455974 /nfs/dbraw/zinc/45/59/74/843455974.db2.gz OMZODOXWQVETBN-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690241 843455978 /nfs/dbraw/zinc/45/59/78/843455978.db2.gz OMZODOXWQVETBN-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690901 843456614 /nfs/dbraw/zinc/45/66/14/843456614.db2.gz ILTZOYOYDBJSRE-CKEIUWERSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690901 843456623 /nfs/dbraw/zinc/45/66/23/843456623.db2.gz ILTZOYOYDBJSRE-CKEIUWERSA-N 2 1 350.463 0.752 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001093921411 843492750 /nfs/dbraw/zinc/49/27/50/843492750.db2.gz OWEDJPBENLZJPQ-VNQPRFMTSA-N 2 1 368.503 0.310 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)co1 ZINC001094110824 843517013 /nfs/dbraw/zinc/51/70/13/843517013.db2.gz QERQYTZBJOJKQR-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001094219231 843531238 /nfs/dbraw/zinc/53/12/38/843531238.db2.gz GLPFKVRMFOOHDH-HZSPNIEDSA-N 2 1 351.451 0.352 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)CC1 ZINC001097092601 843844660 /nfs/dbraw/zinc/84/46/60/843844660.db2.gz QEAYJKYLCBXHRJ-DZVNLGKHSA-N 2 1 351.491 0.447 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097694825 843880270 /nfs/dbraw/zinc/88/02/70/843880270.db2.gz GIRAKKBIESNGSN-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097694825 843880278 /nfs/dbraw/zinc/88/02/78/843880278.db2.gz GIRAKKBIESNGSN-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001097694825 843880283 /nfs/dbraw/zinc/88/02/83/843880283.db2.gz GIRAKKBIESNGSN-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001097694825 843880292 /nfs/dbraw/zinc/88/02/92/843880292.db2.gz GIRAKKBIESNGSN-HZMVEIRTSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001098371744 843911124 /nfs/dbraw/zinc/91/11/24/843911124.db2.gz FGPSAORTTOFMEM-SOLBZPMBSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)C[C@@H]3CCOC3)CC2)CC[NH+]1C ZINC001098371744 843911127 /nfs/dbraw/zinc/91/11/27/843911127.db2.gz FGPSAORTTOFMEM-SOLBZPMBSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)C[C@@H]3CCOC3)CC2)CC[NH+]1C ZINC001098371744 843911131 /nfs/dbraw/zinc/91/11/31/843911131.db2.gz FGPSAORTTOFMEM-SOLBZPMBSA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@H](F)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404921 843915386 /nfs/dbraw/zinc/91/53/86/843915386.db2.gz XJUAYZAIHJFIGR-HLLBOEOZSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@H](F)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404921 843915394 /nfs/dbraw/zinc/91/53/94/843915394.db2.gz XJUAYZAIHJFIGR-HLLBOEOZSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@H](F)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404921 843915403 /nfs/dbraw/zinc/91/54/03/843915403.db2.gz XJUAYZAIHJFIGR-HLLBOEOZSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@H](F)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404921 843915412 /nfs/dbraw/zinc/91/54/12/843915412.db2.gz XJUAYZAIHJFIGR-HLLBOEOZSA-N 2 1 359.486 0.739 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062843 843958708 /nfs/dbraw/zinc/95/87/08/843958708.db2.gz JSCBHGKLJUEPOF-QOKNQOGYSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099279843 844002797 /nfs/dbraw/zinc/00/27/97/844002797.db2.gz ZLVARSKJWDWDEF-DGCLKSJQSA-N 2 1 360.380 0.733 20 0 FCADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099285476 844004422 /nfs/dbraw/zinc/00/44/22/844004422.db2.gz ZSYUDTZQNVIWFE-BZPMIXESSA-N 2 1 362.396 0.325 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819348 844652246 /nfs/dbraw/zinc/65/22/46/844652246.db2.gz RDWIKDDNLVUWTB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819348 844652248 /nfs/dbraw/zinc/65/22/48/844652248.db2.gz RDWIKDDNLVUWTB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102819348 844652249 /nfs/dbraw/zinc/65/22/49/844652249.db2.gz RDWIKDDNLVUWTB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102819348 844652253 /nfs/dbraw/zinc/65/22/53/844652253.db2.gz RDWIKDDNLVUWTB-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819612 844652725 /nfs/dbraw/zinc/65/27/25/844652725.db2.gz XJCGKROLDYMWLV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819612 844652730 /nfs/dbraw/zinc/65/27/30/844652730.db2.gz XJCGKROLDYMWLV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819612 844652736 /nfs/dbraw/zinc/65/27/36/844652736.db2.gz XJCGKROLDYMWLV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819612 844652741 /nfs/dbraw/zinc/65/27/41/844652741.db2.gz XJCGKROLDYMWLV-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993909 844681851 /nfs/dbraw/zinc/68/18/51/844681851.db2.gz IMPBNQCBBHPGJT-OIISXLGYSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103086948 844699069 /nfs/dbraw/zinc/69/90/69/844699069.db2.gz YNMXHACOPPCNIY-KYJSFNMBSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C)[NH+](C)C ZINC001103111809 844702838 /nfs/dbraw/zinc/70/28/38/844702838.db2.gz PJKXGTMJZWURMX-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C)[NH+](C)C ZINC001103111809 844702840 /nfs/dbraw/zinc/70/28/40/844702840.db2.gz PJKXGTMJZWURMX-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185535 844718667 /nfs/dbraw/zinc/71/86/67/844718667.db2.gz BNQKAWKGQLWEQW-IAGOWNOFSA-N 2 1 353.507 0.698 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103234148 844725631 /nfs/dbraw/zinc/72/56/31/844725631.db2.gz COFDQOINAOBQSS-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103234148 844725634 /nfs/dbraw/zinc/72/56/34/844725634.db2.gz COFDQOINAOBQSS-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308817 844734555 /nfs/dbraw/zinc/73/45/55/844734555.db2.gz IGAPWCLNJADZGQ-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001103398470 844751287 /nfs/dbraw/zinc/75/12/87/844751287.db2.gz UJQDWOOUOUNAKD-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C)[NH+](C)C ZINC001103407486 844752374 /nfs/dbraw/zinc/75/23/74/844752374.db2.gz FKUXHSGEMNJKMY-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436376 844757465 /nfs/dbraw/zinc/75/74/65/844757465.db2.gz VPPUOSUQPLLUDU-GVDBMIGSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436376 844757471 /nfs/dbraw/zinc/75/74/71/844757471.db2.gz VPPUOSUQPLLUDU-GVDBMIGSSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103436376 844757477 /nfs/dbraw/zinc/75/74/77/844757477.db2.gz VPPUOSUQPLLUDU-GVDBMIGSSA-N 2 1 352.523 0.927 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103550527 844778472 /nfs/dbraw/zinc/77/84/72/844778472.db2.gz VACWWLKYAMXSCF-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001103550527 844778476 /nfs/dbraw/zinc/77/84/76/844778476.db2.gz VACWWLKYAMXSCF-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571032 844782639 /nfs/dbraw/zinc/78/26/39/844782639.db2.gz RZKMFUULBXSYHQ-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643499 844793985 /nfs/dbraw/zinc/79/39/85/844793985.db2.gz MVSRSKVMFUTYST-BZUAXINKSA-N 2 1 356.511 0.116 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103664421 844797858 /nfs/dbraw/zinc/79/78/58/844797858.db2.gz BCUVUWAKEOCUAT-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103664421 844797864 /nfs/dbraw/zinc/79/78/64/844797864.db2.gz BCUVUWAKEOCUAT-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103664421 844797872 /nfs/dbraw/zinc/79/78/72/844797872.db2.gz BCUVUWAKEOCUAT-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722578 844807682 /nfs/dbraw/zinc/80/76/82/844807682.db2.gz URRJZNGCCWLWCP-NVXWUHKLSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001103999571 844851364 /nfs/dbraw/zinc/85/13/64/844851364.db2.gz CVODBKXWJSMHAC-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999997 844852437 /nfs/dbraw/zinc/85/24/37/844852437.db2.gz RILJZBZGERTKAN-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630431 861506483 /nfs/dbraw/zinc/50/64/83/861506483.db2.gz WMOZVABJVQCTFM-LJQANCHMSA-N 3 1 351.539 0.110 20 0 FCADMP CN1CCN(CCC[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276630431 861506505 /nfs/dbraw/zinc/50/65/05/861506505.db2.gz WMOZVABJVQCTFM-LJQANCHMSA-N 2 1 351.539 0.110 20 0 FCADMP CN1CCN(CCC[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276630431 861506511 /nfs/dbraw/zinc/50/65/11/861506511.db2.gz WMOZVABJVQCTFM-LJQANCHMSA-N 2 1 351.539 0.110 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001104211145 844877467 /nfs/dbraw/zinc/87/74/67/844877467.db2.gz UGWBJESBQRLQAT-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104874626 844954104 /nfs/dbraw/zinc/95/41/04/844954104.db2.gz ZLSBOVFGWQXSSZ-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908094 844958946 /nfs/dbraw/zinc/95/89/46/844958946.db2.gz JBCXHFZNRYZLSI-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001105010219 844968818 /nfs/dbraw/zinc/96/88/18/844968818.db2.gz CNKGHZSOJZDRTH-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243538 844984600 /nfs/dbraw/zinc/98/46/00/844984600.db2.gz CTBREJYKQXOSPT-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243538 844984607 /nfs/dbraw/zinc/98/46/07/844984607.db2.gz CTBREJYKQXOSPT-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105666912 845013625 /nfs/dbraw/zinc/01/36/25/845013625.db2.gz LBGFUPWASQLBBA-FPAYPSAMSA-N 2 1 355.523 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001105946287 845064990 /nfs/dbraw/zinc/06/49/90/845064990.db2.gz PLWGJQLPFZAZRF-UPJWGTAASA-N 2 1 366.491 0.255 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC1CCC1 ZINC001105973929 845071871 /nfs/dbraw/zinc/07/18/71/845071871.db2.gz HLYCWZQFNGLAAX-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCOCC1CCC1 ZINC001105973929 845071877 /nfs/dbraw/zinc/07/18/77/845071877.db2.gz HLYCWZQFNGLAAX-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)CC[N@H+]1C ZINC001106149641 845115191 /nfs/dbraw/zinc/11/51/91/845115191.db2.gz PJUHQFYUFPWLTR-QBPKDAKJSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106149290 845115289 /nfs/dbraw/zinc/11/52/89/845115289.db2.gz CYZUKCWJYSUKAA-MUIFIZLQSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106148219 845115400 /nfs/dbraw/zinc/11/54/00/845115400.db2.gz JOLFKYDGHPJHQB-KCYZZUKISA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106357733 845163185 /nfs/dbraw/zinc/16/31/85/845163185.db2.gz LPXYVPGXCOSHLF-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665810 845219430 /nfs/dbraw/zinc/21/94/30/845219430.db2.gz CDJVWNSGWKHNBV-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001106672847 845221496 /nfs/dbraw/zinc/22/14/96/845221496.db2.gz MCELCQFBSMFMHD-BZUAXINKSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874649 845276274 /nfs/dbraw/zinc/27/62/74/845276274.db2.gz OKZMNUXOTWWYPJ-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874776 845276378 /nfs/dbraw/zinc/27/63/78/845276378.db2.gz SKKLEFLDQFNFAT-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106927257 845287419 /nfs/dbraw/zinc/28/74/19/845287419.db2.gz GIYMVUUKCFBXBT-MDZRGWNJSA-N 2 1 350.507 0.681 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C)C1CC1 ZINC001106981599 845299747 /nfs/dbraw/zinc/29/97/47/845299747.db2.gz WQBZDTCKPAMZJR-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106982566 845299847 /nfs/dbraw/zinc/29/98/47/845299847.db2.gz MSZJWXJAWGBZKP-HYVNUMGLSA-N 2 1 350.507 0.539 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001107040119 845317195 /nfs/dbraw/zinc/31/71/95/845317195.db2.gz DJWOLVTWALZXGR-CHWSQXEVSA-N 2 1 368.507 0.501 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107449480 845375034 /nfs/dbraw/zinc/37/50/34/845375034.db2.gz KRKPZGFONPDMEK-VQIMIIECSA-N 2 1 353.507 0.698 20 0 FCADMP CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951576 845417833 /nfs/dbraw/zinc/41/78/33/845417833.db2.gz SICVYCGECJSMPP-AOIWGVFYSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001107951576 845417837 /nfs/dbraw/zinc/41/78/37/845417837.db2.gz SICVYCGECJSMPP-AOIWGVFYSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671540 845711465 /nfs/dbraw/zinc/71/14/65/845711465.db2.gz OOUXLDGQBDTKBZ-IKGGRYGDSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671540 845711472 /nfs/dbraw/zinc/71/14/72/845711472.db2.gz OOUXLDGQBDTKBZ-IKGGRYGDSA-N 2 1 350.507 0.917 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001109724498 845722266 /nfs/dbraw/zinc/72/22/66/845722266.db2.gz VZQURNSLXIFPNJ-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001109724498 845722268 /nfs/dbraw/zinc/72/22/68/845722268.db2.gz VZQURNSLXIFPNJ-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001109724498 845722274 /nfs/dbraw/zinc/72/22/74/845722274.db2.gz VZQURNSLXIFPNJ-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001109724498 845722276 /nfs/dbraw/zinc/72/22/76/845722276.db2.gz VZQURNSLXIFPNJ-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001109932863 845763183 /nfs/dbraw/zinc/76/31/83/845763183.db2.gz WQQPJKADWCCMBU-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001109932863 845763187 /nfs/dbraw/zinc/76/31/87/845763187.db2.gz WQQPJKADWCCMBU-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001109932863 845763192 /nfs/dbraw/zinc/76/31/92/845763192.db2.gz WQQPJKADWCCMBU-NCOADZHNSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975868 845770163 /nfs/dbraw/zinc/77/01/63/845770163.db2.gz HZZURTQJSMFKNA-YVSFHVDLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975868 845770166 /nfs/dbraw/zinc/77/01/66/845770166.db2.gz HZZURTQJSMFKNA-YVSFHVDLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975868 845770169 /nfs/dbraw/zinc/77/01/69/845770169.db2.gz HZZURTQJSMFKNA-YVSFHVDLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975868 845770173 /nfs/dbraw/zinc/77/01/73/845770173.db2.gz HZZURTQJSMFKNA-YVSFHVDLSA-N 2 1 350.507 0.917 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980619 845771722 /nfs/dbraw/zinc/77/17/22/845771722.db2.gz SOQONVGQNGECJH-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980619 845771725 /nfs/dbraw/zinc/77/17/25/845771725.db2.gz SOQONVGQNGECJH-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2)S(C)(=O)=O ZINC001110007194 845774533 /nfs/dbraw/zinc/77/45/33/845774533.db2.gz MBEBHYLUDBKDSY-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2)S(C)(=O)=O ZINC001110007194 845774535 /nfs/dbraw/zinc/77/45/35/845774535.db2.gz MBEBHYLUDBKDSY-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001110017563 845777836 /nfs/dbraw/zinc/77/78/36/845777836.db2.gz CBTXVHIUVNHKPD-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110017563 845777845 /nfs/dbraw/zinc/77/78/45/845777845.db2.gz CBTXVHIUVNHKPD-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110017563 845777848 /nfs/dbraw/zinc/77/78/48/845777848.db2.gz CBTXVHIUVNHKPD-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001110101803 845789768 /nfs/dbraw/zinc/78/97/68/845789768.db2.gz GNKKLFWMZXRWPB-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001110101803 845789773 /nfs/dbraw/zinc/78/97/73/845789773.db2.gz GNKKLFWMZXRWPB-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP C[NH+](C)CCN1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001276794185 861610596 /nfs/dbraw/zinc/61/05/96/861610596.db2.gz DASVRKLJOWSLNP-MRXNPFEDSA-N 3 1 354.539 0.612 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001110711736 845953146 /nfs/dbraw/zinc/95/31/46/845953146.db2.gz MOMJTOMCRCDSOZ-TUVASFSCSA-N 2 1 350.463 0.197 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001110711736 845953150 /nfs/dbraw/zinc/95/31/50/845953150.db2.gz MOMJTOMCRCDSOZ-TUVASFSCSA-N 2 1 350.463 0.197 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001110715429 845955475 /nfs/dbraw/zinc/95/54/75/845955475.db2.gz YPFQCAKIQFDUNH-FPCVCCKLSA-N 2 1 374.551 0.378 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001110715429 845955481 /nfs/dbraw/zinc/95/54/81/845955481.db2.gz YPFQCAKIQFDUNH-FPCVCCKLSA-N 2 1 374.551 0.378 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961118 846002077 /nfs/dbraw/zinc/00/20/77/846002077.db2.gz RKQSTKCRDKVYAK-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961118 846002083 /nfs/dbraw/zinc/00/20/83/846002083.db2.gz RKQSTKCRDKVYAK-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976494 846007607 /nfs/dbraw/zinc/00/76/07/846007607.db2.gz OJZLZPWFJNQYKY-SVGFKBNWSA-N 2 1 350.507 0.964 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976494 846007612 /nfs/dbraw/zinc/00/76/12/846007612.db2.gz OJZLZPWFJNQYKY-SVGFKBNWSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001111098368 846033374 /nfs/dbraw/zinc/03/33/74/846033374.db2.gz AVZRMDJYRYKGFH-BDXSIMOUSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111098368 846033381 /nfs/dbraw/zinc/03/33/81/846033381.db2.gz AVZRMDJYRYKGFH-BDXSIMOUSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111098368 846033388 /nfs/dbraw/zinc/03/33/88/846033388.db2.gz AVZRMDJYRYKGFH-BDXSIMOUSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099356 846033603 /nfs/dbraw/zinc/03/36/03/846033603.db2.gz BRWIEWJNNXHLKK-ZACQAIPSSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099356 846033605 /nfs/dbraw/zinc/03/36/05/846033605.db2.gz BRWIEWJNNXHLKK-ZACQAIPSSA-N 2 1 350.507 0.964 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1 ZINC001111153881 846048859 /nfs/dbraw/zinc/04/88/59/846048859.db2.gz UBCVYAAZHGTOSX-KURKYZTESA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCOCC1 ZINC001111153881 846048864 /nfs/dbraw/zinc/04/88/64/846048864.db2.gz UBCVYAAZHGTOSX-KURKYZTESA-N 2 1 351.491 0.857 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277610 846076221 /nfs/dbraw/zinc/07/62/21/846076221.db2.gz ZVRUESKLLZAIQN-OAGGEKHMSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277610 846076231 /nfs/dbraw/zinc/07/62/31/846076231.db2.gz ZVRUESKLLZAIQN-OAGGEKHMSA-N 2 1 354.495 0.153 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001111311393 846084577 /nfs/dbraw/zinc/08/45/77/846084577.db2.gz CBTXVHIUVNHKPD-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111311393 846084582 /nfs/dbraw/zinc/08/45/82/846084582.db2.gz CBTXVHIUVNHKPD-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111311393 846084591 /nfs/dbraw/zinc/08/45/91/846084591.db2.gz CBTXVHIUVNHKPD-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001111311554 846084803 /nfs/dbraw/zinc/08/48/03/846084803.db2.gz KDODTYSSAQYIDF-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001111311554 846084805 /nfs/dbraw/zinc/08/48/05/846084805.db2.gz KDODTYSSAQYIDF-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001111311554 846084812 /nfs/dbraw/zinc/08/48/12/846084812.db2.gz KDODTYSSAQYIDF-VQHPVUNQSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407876 846099739 /nfs/dbraw/zinc/09/97/39/846099739.db2.gz XZVIGQLQIWLLRX-JJXSEGSLSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407876 846099742 /nfs/dbraw/zinc/09/97/42/846099742.db2.gz XZVIGQLQIWLLRX-JJXSEGSLSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407876 846099746 /nfs/dbraw/zinc/09/97/46/846099746.db2.gz XZVIGQLQIWLLRX-JJXSEGSLSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407876 846099749 /nfs/dbraw/zinc/09/97/49/846099749.db2.gz XZVIGQLQIWLLRX-JJXSEGSLSA-N 2 1 351.495 0.367 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001111751329 846191151 /nfs/dbraw/zinc/19/11/51/846191151.db2.gz QITBBRVYPUXWSD-SCTDSRPQSA-N 2 1 351.491 0.308 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111782615 846203413 /nfs/dbraw/zinc/20/34/13/846203413.db2.gz QJMSRKUESRJHOH-SCTDSRPQSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111782615 846203426 /nfs/dbraw/zinc/20/34/26/846203426.db2.gz QJMSRKUESRJHOH-SCTDSRPQSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111782615 846203438 /nfs/dbraw/zinc/20/34/38/846203438.db2.gz QJMSRKUESRJHOH-SCTDSRPQSA-N 2 1 353.507 0.840 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111858232 846234141 /nfs/dbraw/zinc/23/41/41/846234141.db2.gz VFNTYFZPWRIMGN-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870651 846239139 /nfs/dbraw/zinc/23/91/39/846239139.db2.gz IASRRAGIZJEWGC-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870651 846239152 /nfs/dbraw/zinc/23/91/52/846239152.db2.gz IASRRAGIZJEWGC-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870651 846239166 /nfs/dbraw/zinc/23/91/66/846239166.db2.gz IASRRAGIZJEWGC-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870651 846239178 /nfs/dbraw/zinc/23/91/78/846239178.db2.gz IASRRAGIZJEWGC-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001111907492 846254842 /nfs/dbraw/zinc/25/48/42/846254842.db2.gz CPHKRIDGSAWXDM-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111927812 846263357 /nfs/dbraw/zinc/26/33/57/846263357.db2.gz OSWFSYNVVRPBFO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111927812 846263370 /nfs/dbraw/zinc/26/33/70/846263370.db2.gz OSWFSYNVVRPBFO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111927812 846263379 /nfs/dbraw/zinc/26/33/79/846263379.db2.gz OSWFSYNVVRPBFO-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937942 846267036 /nfs/dbraw/zinc/26/70/36/846267036.db2.gz CUKDKNAMCPKTSA-YJBOKZPZSA-N 2 1 354.495 0.014 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004230 846289804 /nfs/dbraw/zinc/28/98/04/846289804.db2.gz QLARFLIPRLZESU-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005163 846291625 /nfs/dbraw/zinc/29/16/25/846291625.db2.gz XZKXESOOGDRUFD-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001112009846 846294493 /nfs/dbraw/zinc/29/44/93/846294493.db2.gz WUUDKYLEVBXUME-YJBOKZPZSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001112009846 846294508 /nfs/dbraw/zinc/29/45/08/846294508.db2.gz WUUDKYLEVBXUME-YJBOKZPZSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001112009846 846294518 /nfs/dbraw/zinc/29/45/18/846294518.db2.gz WUUDKYLEVBXUME-YJBOKZPZSA-N 2 1 351.495 0.323 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276874301 861663185 /nfs/dbraw/zinc/66/31/85/861663185.db2.gz HARAQTCBSPXYRB-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276874301 861663189 /nfs/dbraw/zinc/66/31/89/861663189.db2.gz HARAQTCBSPXYRB-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276874301 861663192 /nfs/dbraw/zinc/66/31/92/861663192.db2.gz HARAQTCBSPXYRB-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075522 846354113 /nfs/dbraw/zinc/35/41/13/846354113.db2.gz GKAOZZFMBAXFBR-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075522 846354119 /nfs/dbraw/zinc/35/41/19/846354119.db2.gz GKAOZZFMBAXFBR-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116101 846394994 /nfs/dbraw/zinc/39/49/94/846394994.db2.gz KDAOBLOVBNAXOU-VXGBXAGGSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116101 846395000 /nfs/dbraw/zinc/39/50/00/846395000.db2.gz KDAOBLOVBNAXOU-VXGBXAGGSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112116969 846395934 /nfs/dbraw/zinc/39/59/34/846395934.db2.gz LAIPFKVNIRZKPY-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112116969 846395946 /nfs/dbraw/zinc/39/59/46/846395946.db2.gz LAIPFKVNIRZKPY-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112159024 846425893 /nfs/dbraw/zinc/42/58/93/846425893.db2.gz LPWGEHIOBJOLOH-GRYCIOLGSA-N 2 1 350.385 0.148 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166309 846429830 /nfs/dbraw/zinc/42/98/30/846429830.db2.gz OAMAALXKIPKKNT-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166309 846429834 /nfs/dbraw/zinc/42/98/34/846429834.db2.gz OAMAALXKIPKKNT-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899102 861676320 /nfs/dbraw/zinc/67/63/20/861676320.db2.gz GAEMXQXXSSTGKH-APWZRJJASA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899102 861676326 /nfs/dbraw/zinc/67/63/26/861676326.db2.gz GAEMXQXXSSTGKH-APWZRJJASA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899102 861676328 /nfs/dbraw/zinc/67/63/28/861676328.db2.gz GAEMXQXXSSTGKH-APWZRJJASA-N 2 1 350.507 0.526 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112190022 846448493 /nfs/dbraw/zinc/44/84/93/846448493.db2.gz HOHBRESNMPZAOF-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112190022 846448500 /nfs/dbraw/zinc/44/85/00/846448500.db2.gz HOHBRESNMPZAOF-IJLUTSLNSA-N 2 1 352.401 0.442 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112189905 846449078 /nfs/dbraw/zinc/44/90/78/846449078.db2.gz BQCKPDKHGREPPT-YNEHKIRRSA-N 2 1 355.401 0.314 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCS(C)(=O)=O)C1 ZINC001112284958 846487384 /nfs/dbraw/zinc/48/73/84/846487384.db2.gz GCWASPSCTWIYFY-JZXOWHBKSA-N 2 1 371.547 0.734 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112396969 846501131 /nfs/dbraw/zinc/50/11/31/846501131.db2.gz MRAPDBVIGMWVGS-GJYPPUQNSA-N 2 1 350.507 0.668 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401789 846502224 /nfs/dbraw/zinc/50/22/24/846502224.db2.gz YGWJOKSTKPLFGG-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112529722 846516583 /nfs/dbraw/zinc/51/65/83/846516583.db2.gz MCDQSZYHRNMNRN-BXWFABGCSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112557444 846523083 /nfs/dbraw/zinc/52/30/83/846523083.db2.gz GTZYWDCNUQVLTG-LPHOPBHVSA-N 2 1 350.507 0.779 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112557415 846523324 /nfs/dbraw/zinc/52/33/24/846523324.db2.gz FHSWUWXSAWKVBV-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958803 861703294 /nfs/dbraw/zinc/70/32/94/861703294.db2.gz APYUCGOELTTXLQ-MJGOQNOKSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958803 861703305 /nfs/dbraw/zinc/70/33/05/861703305.db2.gz APYUCGOELTTXLQ-MJGOQNOKSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958803 861703318 /nfs/dbraw/zinc/70/33/18/861703318.db2.gz APYUCGOELTTXLQ-MJGOQNOKSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116714336 846744441 /nfs/dbraw/zinc/74/44/41/846744441.db2.gz DFQVOZWNOAMQIV-UONOGXRCSA-N 2 1 350.467 0.182 20 0 FCADMP Cc1nccn1-c1ccncc1NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001116896485 846798990 /nfs/dbraw/zinc/79/89/90/846798990.db2.gz QANIGWORSNPECA-UHFFFAOYSA-N 2 1 361.387 0.058 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001116952409 846817710 /nfs/dbraw/zinc/81/77/10/846817710.db2.gz GQPQVHLDOLONJN-TWMKSMIVSA-N 2 1 352.523 0.879 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)n1C ZINC001117292090 846942116 /nfs/dbraw/zinc/94/21/16/846942116.db2.gz AFGVGFYDCIFDHK-UONOGXRCSA-N 2 1 350.467 0.091 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858682 847187032 /nfs/dbraw/zinc/18/70/32/847187032.db2.gz PPVWYFMJBAFIPG-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC001117858682 847187036 /nfs/dbraw/zinc/18/70/36/847187036.db2.gz PPVWYFMJBAFIPG-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP NC(=O)c1cn(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC001118387434 847409295 /nfs/dbraw/zinc/40/92/95/847409295.db2.gz QWDZKCADBMIUQP-HNNXBMFYSA-N 2 1 350.467 0.390 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119484062 847858994 /nfs/dbraw/zinc/85/89/94/847858994.db2.gz ZWZSFZDBOFCACK-MRXNPFEDSA-N 2 1 355.527 0.409 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC001119600489 847906440 /nfs/dbraw/zinc/90/64/40/847906440.db2.gz JMLCRRVUUTZTMR-KRWDZBQOSA-N 2 1 350.507 0.528 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001120642581 848260167 /nfs/dbraw/zinc/26/01/67/848260167.db2.gz SAPLLMOHMWRJKR-IAGOWNOFSA-N 2 1 353.511 0.163 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810715 848397729 /nfs/dbraw/zinc/39/77/29/848397729.db2.gz NSSTTZSCXNAGOV-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCc3sccc3C2)CC[N@H+]1C ZINC001127644265 848729727 /nfs/dbraw/zinc/72/97/27/848729727.db2.gz XJFXNUJYVVFZMS-UKRRQHHQSA-N 2 1 364.515 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)CC[N@H+]1C ZINC001127707259 848734252 /nfs/dbraw/zinc/73/42/52/848734252.db2.gz XKRDGVMJOHSIGJ-BHYGNILZSA-N 2 1 353.463 0.593 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCc2ccco2)CC[N@H+]1C ZINC001127707264 848734312 /nfs/dbraw/zinc/73/43/12/848734312.db2.gz XPNKUSHVFQPWPM-CWRNSKLLSA-N 2 1 350.463 0.720 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001127707027 848734345 /nfs/dbraw/zinc/73/43/45/848734345.db2.gz SUTBPQKOLRCRSH-NWDGAFQWSA-N 2 1 352.401 0.443 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129257324 848823620 /nfs/dbraw/zinc/82/36/20/848823620.db2.gz CMQIKYOXOLVUBP-PMPSAXMXSA-N 2 1 352.483 0.122 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+](CC)CC ZINC001129257324 848823631 /nfs/dbraw/zinc/82/36/31/848823631.db2.gz CMQIKYOXOLVUBP-PMPSAXMXSA-N 2 1 352.483 0.122 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129400399 848839880 /nfs/dbraw/zinc/83/98/80/848839880.db2.gz MENWBCKMVWDLMK-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129400399 848839889 /nfs/dbraw/zinc/83/98/89/848839889.db2.gz MENWBCKMVWDLMK-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1 ZINC001129400399 848839896 /nfs/dbraw/zinc/83/98/96/848839896.db2.gz MENWBCKMVWDLMK-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129407737 848840785 /nfs/dbraw/zinc/84/07/85/848840785.db2.gz VHFWRTVLOOTVAS-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129407737 848840796 /nfs/dbraw/zinc/84/07/96/848840796.db2.gz VHFWRTVLOOTVAS-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1n1ccnn1 ZINC001129407737 848840804 /nfs/dbraw/zinc/84/08/04/848840804.db2.gz VHFWRTVLOOTVAS-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129453818 848846621 /nfs/dbraw/zinc/84/66/21/848846621.db2.gz KOVYJUXYOSNYJJ-CVEARBPZSA-N 2 1 352.458 0.855 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685445 848881567 /nfs/dbraw/zinc/88/15/67/848881567.db2.gz RTBRHZWWWLDCGA-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910459 848914037 /nfs/dbraw/zinc/91/40/37/848914037.db2.gz UNTVRNDMVVBINY-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007619 848929987 /nfs/dbraw/zinc/92/99/87/848929987.db2.gz NPPDOIFIVSLMNQ-XHSDSOJGSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132780 848949177 /nfs/dbraw/zinc/94/91/77/848949177.db2.gz OVHLMZKDNMPDPE-PGUDMLLHSA-N 2 1 368.869 0.093 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130132780 848949183 /nfs/dbraw/zinc/94/91/83/848949183.db2.gz OVHLMZKDNMPDPE-PGUDMLLHSA-N 2 1 368.869 0.093 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136944 848950031 /nfs/dbraw/zinc/95/00/31/848950031.db2.gz AGTCNLODNKQMQC-XHSDSOJGSA-N 2 1 352.483 0.121 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130215716 848977688 /nfs/dbraw/zinc/97/76/88/848977688.db2.gz CSMIBDSSRYOODG-YDHLFZDLSA-N 2 1 352.483 0.489 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)[N@@H+](C)CC)n2)O1 ZINC001130790050 849042625 /nfs/dbraw/zinc/04/26/25/849042625.db2.gz FRUMPOPMCBHPIZ-QWHCGFSZSA-N 2 1 352.483 0.981 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)[N@H+](C)CC)n[nH]2)O1 ZINC001130790050 849042630 /nfs/dbraw/zinc/04/26/30/849042630.db2.gz FRUMPOPMCBHPIZ-QWHCGFSZSA-N 2 1 352.483 0.981 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)[N@@H+](C)CC)n[nH]2)O1 ZINC001130790050 849042634 /nfs/dbraw/zinc/04/26/34/849042634.db2.gz FRUMPOPMCBHPIZ-QWHCGFSZSA-N 2 1 352.483 0.981 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130804848 849046205 /nfs/dbraw/zinc/04/62/05/849046205.db2.gz PTKMWJCDMUSRSU-UONOGXRCSA-N 2 1 352.483 0.982 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130812884 849047509 /nfs/dbraw/zinc/04/75/09/849047509.db2.gz DGWAMXYQWPRSAV-UONOGXRCSA-N 2 1 352.483 0.981 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130812884 849047513 /nfs/dbraw/zinc/04/75/13/849047513.db2.gz DGWAMXYQWPRSAV-UONOGXRCSA-N 2 1 352.483 0.981 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130812884 849047517 /nfs/dbraw/zinc/04/75/17/849047517.db2.gz DGWAMXYQWPRSAV-UONOGXRCSA-N 2 1 352.483 0.981 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131115182 849080745 /nfs/dbraw/zinc/08/07/45/849080745.db2.gz BZPGETASFWAALY-HZPDHXFCSA-N 2 1 351.495 0.418 20 0 FCADMP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313073 849093361 /nfs/dbraw/zinc/09/33/61/849093361.db2.gz GRFBGEHBYDWXKP-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313367 849094641 /nfs/dbraw/zinc/09/46/41/849094641.db2.gz PIHVQJGEICOEHF-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001131562178 849123673 /nfs/dbraw/zinc/12/36/73/849123673.db2.gz NSJIZZDCKBSOGI-WDYCEAGBSA-N 2 1 353.507 0.960 20 0 FCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131605061 849129078 /nfs/dbraw/zinc/12/90/78/849129078.db2.gz VOBKWZSREHOVGC-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cscn3)CC2)C1=O ZINC001137594320 849273522 /nfs/dbraw/zinc/27/35/22/849273522.db2.gz YJTSRQNLUQQUSV-UHFFFAOYSA-N 2 1 351.520 0.813 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cscn3)CC2)C1=O ZINC001137594320 849273527 /nfs/dbraw/zinc/27/35/27/849273527.db2.gz YJTSRQNLUQQUSV-UHFFFAOYSA-N 2 1 351.520 0.813 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC001139227493 849331634 /nfs/dbraw/zinc/33/16/34/849331634.db2.gz OKLRXFZVEQZJDL-UHFFFAOYSA-N 2 1 367.519 0.728 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC001139227493 849331642 /nfs/dbraw/zinc/33/16/42/849331642.db2.gz OKLRXFZVEQZJDL-UHFFFAOYSA-N 2 1 367.519 0.728 20 0 FCADMP C[C@H](C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583829 849586165 /nfs/dbraw/zinc/58/61/65/849586165.db2.gz XJABLFFDPGEUOG-BZUAXINKSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583829 849586167 /nfs/dbraw/zinc/58/61/67/849586167.db2.gz XJABLFFDPGEUOG-BZUAXINKSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583829 849586171 /nfs/dbraw/zinc/58/61/71/849586171.db2.gz XJABLFFDPGEUOG-BZUAXINKSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H](C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)CS(C)(=O)=O ZINC001147583829 849586176 /nfs/dbraw/zinc/58/61/76/849586176.db2.gz XJABLFFDPGEUOG-BZUAXINKSA-N 2 1 371.547 0.542 20 0 FCADMP CC(C)OCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149880966 849649344 /nfs/dbraw/zinc/64/93/44/849649344.db2.gz AAKSQMRAIKDVOH-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149880966 849649350 /nfs/dbraw/zinc/64/93/50/849649350.db2.gz AAKSQMRAIKDVOH-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149880966 849649352 /nfs/dbraw/zinc/64/93/52/849649352.db2.gz AAKSQMRAIKDVOH-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149880966 849649357 /nfs/dbraw/zinc/64/93/57/849649357.db2.gz AAKSQMRAIKDVOH-IXDOHACOSA-N 2 1 357.495 0.338 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762570 862057531 /nfs/dbraw/zinc/05/75/31/862057531.db2.gz XCKWMHYAONCQQI-LJQANCHMSA-N 2 1 352.523 0.319 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762570 862057540 /nfs/dbraw/zinc/05/75/40/862057540.db2.gz XCKWMHYAONCQQI-LJQANCHMSA-N 2 1 352.523 0.319 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762570 862057553 /nfs/dbraw/zinc/05/75/53/862057553.db2.gz XCKWMHYAONCQQI-LJQANCHMSA-N 2 1 352.523 0.319 20 0 FCADMP COC(=O)CSc1cncc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155381601 849850328 /nfs/dbraw/zinc/85/03/28/849850328.db2.gz HCELCKSSNFUAKU-CYBMUJFWSA-N 2 1 351.476 0.601 20 0 FCADMP CC(C)[N@@H+](C)[C@@H]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001157000579 849936724 /nfs/dbraw/zinc/93/67/24/849936724.db2.gz GMVUCUHKURAMFH-CYBMUJFWSA-N 2 1 367.519 0.487 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCc2ccco2)CC[N@H+]1C ZINC001158379575 850041124 /nfs/dbraw/zinc/04/11/24/850041124.db2.gz CPRMAQHWJNTONU-BFYDXBDKSA-N 2 1 353.463 0.593 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1[NH2+]CCS1)C2 ZINC001158382107 850042279 /nfs/dbraw/zinc/04/22/79/850042279.db2.gz IFORWVCPHAJDMV-JIMOISOXSA-N 2 1 367.393 0.193 20 0 FCADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001158389379 850045673 /nfs/dbraw/zinc/04/56/73/850045673.db2.gz BTUINILINVCCQN-MGPQQGTHSA-N 2 1 351.451 0.746 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001158469259 850054976 /nfs/dbraw/zinc/05/49/76/850054976.db2.gz YZWURSWPAOTPHP-SUNYJGFJSA-N 2 1 351.447 0.104 20 0 FCADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)[C@H]2C[NH2+]CCN2)CC3)cs1 ZINC001158976233 850089725 /nfs/dbraw/zinc/08/97/25/850089725.db2.gz FQOXJSZYFIPPGO-MRXNPFEDSA-N 2 1 363.531 0.970 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(N)CC[NH2+]CC1)C2 ZINC001159480996 850117862 /nfs/dbraw/zinc/11/78/62/850117862.db2.gz GUWIYWHNOJBYCR-SJLPKXTDSA-N 2 1 350.507 0.274 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CN1CC[NH2+]CC1)C2 ZINC001159481403 850118045 /nfs/dbraw/zinc/11/80/45/850118045.db2.gz OBHQYELDRPEWEV-IEBWSBKVSA-N 2 1 350.507 0.099 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H]2C ZINC001159633376 850125641 /nfs/dbraw/zinc/12/56/41/850125641.db2.gz KPKNVBQVLCWZMT-ZFWWWQNUSA-N 3 1 368.551 0.646 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCOCCO)CC2)CC[N@H+]1C ZINC001160168937 850156236 /nfs/dbraw/zinc/15/62/36/850156236.db2.gz DOGXKHLADSZTMG-ZWKOTPCHSA-N 2 1 353.507 0.864 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CCOCCO)CC2)CC[NH+]1C ZINC001160168937 850156243 /nfs/dbraw/zinc/15/62/43/850156243.db2.gz DOGXKHLADSZTMG-ZWKOTPCHSA-N 2 1 353.507 0.864 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CCOCCO)CC2)CC[NH+]1C ZINC001160168937 850156249 /nfs/dbraw/zinc/15/62/49/850156249.db2.gz DOGXKHLADSZTMG-ZWKOTPCHSA-N 2 1 353.507 0.864 20 0 FCADMP CCN(CC)S(=O)(=O)c1ccc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1 ZINC001160519484 850179163 /nfs/dbraw/zinc/17/91/63/850179163.db2.gz MMBMDFKUOBIKLU-KRWDZBQOSA-N 2 1 367.519 0.947 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](N)Cc1cccc(O)c1 ZINC001160629218 850187019 /nfs/dbraw/zinc/18/70/19/850187019.db2.gz JNHPLIGVIPJDMO-GOSISDBHSA-N 2 1 350.507 0.994 20 0 FCADMP [NH3+]C1CCN(c2cccc(NCCN3CCS(=O)(=O)CC3)[nH+]2)CC1 ZINC001160648179 850187846 /nfs/dbraw/zinc/18/78/46/850187846.db2.gz WZHGANWFWCGTHY-UHFFFAOYSA-N 2 1 353.492 0.151 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(C3CC3)nn2C)O1 ZINC001160851255 850204920 /nfs/dbraw/zinc/20/49/20/850204920.db2.gz URUWOCSWHOTLFK-TZMCWYRMSA-N 2 1 350.467 0.008 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(C3CC3)nn2C)O1 ZINC001160851255 850204922 /nfs/dbraw/zinc/20/49/22/850204922.db2.gz URUWOCSWHOTLFK-TZMCWYRMSA-N 2 1 350.467 0.008 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CCCC1 ZINC001160857553 850207088 /nfs/dbraw/zinc/20/70/88/850207088.db2.gz KDTGPZIWOZQAQL-IIAWOOMASA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CCCC1 ZINC001160857553 850207099 /nfs/dbraw/zinc/20/70/99/850207099.db2.gz KDTGPZIWOZQAQL-IIAWOOMASA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCCCn2cncn2)O1 ZINC001160857802 850208075 /nfs/dbraw/zinc/20/80/75/850208075.db2.gz QXYJPUZNTXTJCY-HZPDHXFCSA-N 2 1 352.483 0.263 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCCCCn2cncn2)O1 ZINC001160857802 850208080 /nfs/dbraw/zinc/20/80/80/850208080.db2.gz QXYJPUZNTXTJCY-HZPDHXFCSA-N 2 1 352.483 0.263 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC[C@H]2C)O1 ZINC001160861994 850208474 /nfs/dbraw/zinc/20/84/74/850208474.db2.gz GECNGGKLBSGDHT-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC[C@H]2C)O1 ZINC001160861994 850208476 /nfs/dbraw/zinc/20/84/76/850208476.db2.gz GECNGGKLBSGDHT-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCCCC2)O1 ZINC001160862263 850209685 /nfs/dbraw/zinc/20/96/85/850209685.db2.gz KBOWNWLMDOIQDO-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCCCC2)O1 ZINC001160862263 850209698 /nfs/dbraw/zinc/20/96/98/850209698.db2.gz KBOWNWLMDOIQDO-GDBMZVCRSA-N 2 1 354.495 0.250 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001161884266 850288173 /nfs/dbraw/zinc/28/81/73/850288173.db2.gz MTYOFIVSGDHUJI-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162283277 850306753 /nfs/dbraw/zinc/30/67/53/850306753.db2.gz UQAJDOFGBOWHJO-QLFBSQMISA-N 2 1 354.495 0.045 20 0 FCADMP C[N@@H+]1CCC[C@@](C)(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001162330577 850309484 /nfs/dbraw/zinc/30/94/84/850309484.db2.gz HPUZJIFPSSDCDM-MRXNPFEDSA-N 2 1 353.492 0.465 20 0 FCADMP C[N@H+]1CCC[C@@](C)(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001162330577 850309492 /nfs/dbraw/zinc/30/94/92/850309492.db2.gz HPUZJIFPSSDCDM-MRXNPFEDSA-N 2 1 353.492 0.465 20 0 FCADMP CC[NH+](CC)CCNC(=[NH2+])Nc1[nH]cnc2ncc(S(C)(=O)=O)c1-2 ZINC001163125819 850356790 /nfs/dbraw/zinc/35/67/90/850356790.db2.gz LHJGZKMMVANPIY-UHFFFAOYSA-N 2 1 353.452 0.639 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001167092060 850522354 /nfs/dbraw/zinc/52/23/54/850522354.db2.gz CMDDVWWCGOXQLP-SJORKVTESA-N 2 1 367.515 0.472 20 0 FCADMP CC[NH+]1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001169250148 850610695 /nfs/dbraw/zinc/61/06/95/850610695.db2.gz PHERISVVVWJNIP-LJQANCHMSA-N 2 1 352.523 0.631 20 0 FCADMP CC[NH+]1CCC([N@H+]2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)CC1 ZINC001169250148 850610700 /nfs/dbraw/zinc/61/07/00/850610700.db2.gz PHERISVVVWJNIP-LJQANCHMSA-N 2 1 352.523 0.631 20 0 FCADMP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001170342175 850651354 /nfs/dbraw/zinc/65/13/54/850651354.db2.gz BZHUADFRIPMSSE-UHFFFAOYSA-N 2 1 364.471 0.913 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862241 850667908 /nfs/dbraw/zinc/66/79/08/850667908.db2.gz KBXQFSBXSKCBNY-MGPQQGTHSA-N 2 1 352.483 0.213 20 0 FCADMP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863701 850669018 /nfs/dbraw/zinc/66/90/18/850669018.db2.gz XWRRGCKXCHFCEK-RBSFLKMASA-N 2 1 362.540 0.140 20 0 FCADMP C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501773 850686185 /nfs/dbraw/zinc/68/61/85/850686185.db2.gz WSONCZSGUBRZLF-RBSFLKMASA-N 2 1 363.524 0.015 20 0 FCADMP C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501773 850686194 /nfs/dbraw/zinc/68/61/94/850686194.db2.gz WSONCZSGUBRZLF-RBSFLKMASA-N 2 1 363.524 0.015 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171488263 850687200 /nfs/dbraw/zinc/68/72/00/850687200.db2.gz ZZTRJYOYGULTNK-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171488263 850687201 /nfs/dbraw/zinc/68/72/01/850687201.db2.gz ZZTRJYOYGULTNK-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500976 850687279 /nfs/dbraw/zinc/68/72/79/850687279.db2.gz OLWJPGPMUSKQGV-RBSFLKMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500976 850687285 /nfs/dbraw/zinc/68/72/85/850687285.db2.gz OLWJPGPMUSKQGV-RBSFLKMASA-N 2 1 352.483 0.299 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001171689850 850693282 /nfs/dbraw/zinc/69/32/82/850693282.db2.gz SGKNWPNMDYFYTN-CYBMUJFWSA-N 2 1 354.451 0.276 20 0 FCADMP CC[N@H+]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001173360538 850721042 /nfs/dbraw/zinc/72/10/42/850721042.db2.gz IZZPAMSLOOKOAF-QGZVFWFLSA-N 2 1 351.539 0.251 20 0 FCADMP CC[N@@H+]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001173360538 850721049 /nfs/dbraw/zinc/72/10/49/850721049.db2.gz IZZPAMSLOOKOAF-QGZVFWFLSA-N 3 1 351.539 0.251 20 0 FCADMP CC[N@H+]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001173360538 850721053 /nfs/dbraw/zinc/72/10/53/850721053.db2.gz IZZPAMSLOOKOAF-QGZVFWFLSA-N 3 1 351.539 0.251 20 0 FCADMP CC[NH+]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001173360538 850721058 /nfs/dbraw/zinc/72/10/58/850721058.db2.gz IZZPAMSLOOKOAF-QGZVFWFLSA-N 3 1 351.539 0.251 20 0 FCADMP CC[NH+]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001173360538 850721065 /nfs/dbraw/zinc/72/10/65/850721065.db2.gz IZZPAMSLOOKOAF-QGZVFWFLSA-N 3 1 351.539 0.251 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730961 850921131 /nfs/dbraw/zinc/92/11/31/850921131.db2.gz HNVVFWDYHQQWOX-QXSJWSMHSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178981840 850942925 /nfs/dbraw/zinc/94/29/25/850942925.db2.gz FSMQVRUVHPNCJT-CBBWQLFWSA-N 2 1 354.495 0.199 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178981840 850942932 /nfs/dbraw/zinc/94/29/32/850942932.db2.gz FSMQVRUVHPNCJT-CBBWQLFWSA-N 2 1 354.495 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](O)COC)C2)CC[N@H+]1C ZINC001181516866 851116769 /nfs/dbraw/zinc/11/67/69/851116769.db2.gz BBWYHCKSYAFXIS-OGJJZOIMSA-N 2 1 355.523 0.798 20 0 FCADMP C[N@@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182014561 851145863 /nfs/dbraw/zinc/14/58/63/851145863.db2.gz BBNWKOXKXHLMJP-HNNXBMFYSA-N 2 1 354.495 0.901 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)C2)CC[N@H+]1C ZINC001182677341 851190558 /nfs/dbraw/zinc/19/05/58/851190558.db2.gz YUVATNJQEFYTIQ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001182692549 851193045 /nfs/dbraw/zinc/19/30/45/851193045.db2.gz MXXQZJKHWSZHHM-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CCCP(CCCNC(=O)C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC001186055995 851407959 /nfs/dbraw/zinc/40/79/59/851407959.db2.gz AKVUNHNWWQARLM-YAOANENCSA-N 2 1 351.431 0.716 20 0 FCADMP [NH3+]CCCP(CCCNC(=O)C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC001186055995 851407962 /nfs/dbraw/zinc/40/79/62/851407962.db2.gz AKVUNHNWWQARLM-YAOANENCSA-N 2 1 351.431 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186372869 851429005 /nfs/dbraw/zinc/42/90/05/851429005.db2.gz FEAQDQQUIXEKOM-IXDOHACOSA-N 2 1 353.507 0.554 20 0 FCADMP CC(=O)N1CCC[C@H](C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001278185214 862244909 /nfs/dbraw/zinc/24/49/09/862244909.db2.gz ZIECURNMNONCLO-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190092 851657484 /nfs/dbraw/zinc/65/74/84/851657484.db2.gz VKWUOWLQXQAXHY-GVDBMIGSSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190092 851657491 /nfs/dbraw/zinc/65/74/91/851657491.db2.gz VKWUOWLQXQAXHY-GVDBMIGSSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190092 851657494 /nfs/dbraw/zinc/65/74/94/851657494.db2.gz VKWUOWLQXQAXHY-GVDBMIGSSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190092 851657500 /nfs/dbraw/zinc/65/75/00/851657500.db2.gz VKWUOWLQXQAXHY-GVDBMIGSSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205271 851658802 /nfs/dbraw/zinc/65/88/02/851658802.db2.gz IRSVVGMDFCCAQW-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205271 851658805 /nfs/dbraw/zinc/65/88/05/851658805.db2.gz IRSVVGMDFCCAQW-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205271 851658809 /nfs/dbraw/zinc/65/88/09/851658809.db2.gz IRSVVGMDFCCAQW-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205271 851658814 /nfs/dbraw/zinc/65/88/14/851658814.db2.gz IRSVVGMDFCCAQW-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001188315554 851668878 /nfs/dbraw/zinc/66/88/78/851668878.db2.gz YTDFYGCKPUOXHA-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001188315554 851668883 /nfs/dbraw/zinc/66/88/83/851668883.db2.gz YTDFYGCKPUOXHA-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001188932554 851735442 /nfs/dbraw/zinc/73/54/42/851735442.db2.gz ZJFWPLPAZXZZFF-LUKYLMHMSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001188932554 851735447 /nfs/dbraw/zinc/73/54/47/851735447.db2.gz ZJFWPLPAZXZZFF-LUKYLMHMSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001188932554 851735454 /nfs/dbraw/zinc/73/54/54/851735454.db2.gz ZJFWPLPAZXZZFF-LUKYLMHMSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001188932554 851735463 /nfs/dbraw/zinc/73/54/63/851735463.db2.gz ZJFWPLPAZXZZFF-LUKYLMHMSA-N 2 1 371.547 0.684 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317147 851778705 /nfs/dbraw/zinc/77/87/05/851778705.db2.gz GSVCSOAUYGBTRF-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317147 851778711 /nfs/dbraw/zinc/77/87/11/851778711.db2.gz GSVCSOAUYGBTRF-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485396 851795173 /nfs/dbraw/zinc/79/51/73/851795173.db2.gz VPEHDDXSJFQCBR-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP COCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001278278527 862287398 /nfs/dbraw/zinc/28/73/98/862287398.db2.gz XHXQLCPFDKTGJL-IRXDYDNUSA-N 2 1 352.523 0.487 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001189810799 851827129 /nfs/dbraw/zinc/82/71/29/851827129.db2.gz HPANOEGOXKVXIM-ZNMIVQPWSA-N 2 1 361.433 0.522 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913743 851842361 /nfs/dbraw/zinc/84/23/61/851842361.db2.gz ZGVIDCHROKYJMC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913743 851842367 /nfs/dbraw/zinc/84/23/67/851842367.db2.gz ZGVIDCHROKYJMC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913743 851842374 /nfs/dbraw/zinc/84/23/74/851842374.db2.gz ZGVIDCHROKYJMC-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922741 851843826 /nfs/dbraw/zinc/84/38/26/851843826.db2.gz CRXJBLHJRVZPGT-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922741 851843829 /nfs/dbraw/zinc/84/38/29/851843829.db2.gz CRXJBLHJRVZPGT-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922741 851843838 /nfs/dbraw/zinc/84/38/38/851843838.db2.gz CRXJBLHJRVZPGT-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189922741 851843845 /nfs/dbraw/zinc/84/38/45/851843845.db2.gz CRXJBLHJRVZPGT-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178580 851870280 /nfs/dbraw/zinc/87/02/80/851870280.db2.gz YSEHHISMMDNNCW-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190178580 851870289 /nfs/dbraw/zinc/87/02/89/851870289.db2.gz YSEHHISMMDNNCW-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001190239964 851882539 /nfs/dbraw/zinc/88/25/39/851882539.db2.gz YMNPJBKWBFRIHA-OWCLPIDISA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001190239964 851882548 /nfs/dbraw/zinc/88/25/48/851882548.db2.gz YMNPJBKWBFRIHA-OWCLPIDISA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001190239964 851882559 /nfs/dbraw/zinc/88/25/59/851882559.db2.gz YMNPJBKWBFRIHA-OWCLPIDISA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001190239964 851882569 /nfs/dbraw/zinc/88/25/69/851882569.db2.gz YMNPJBKWBFRIHA-OWCLPIDISA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001190239963 851882805 /nfs/dbraw/zinc/88/28/05/851882805.db2.gz YMNPJBKWBFRIHA-BZUAXINKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001190239963 851882815 /nfs/dbraw/zinc/88/28/15/851882815.db2.gz YMNPJBKWBFRIHA-BZUAXINKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001190239963 851882818 /nfs/dbraw/zinc/88/28/18/851882818.db2.gz YMNPJBKWBFRIHA-BZUAXINKSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001190239963 851882824 /nfs/dbraw/zinc/88/28/24/851882824.db2.gz YMNPJBKWBFRIHA-BZUAXINKSA-N 2 1 371.547 0.684 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281459 851888115 /nfs/dbraw/zinc/88/81/15/851888115.db2.gz INRKDEDECWUOLJ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281459 851888123 /nfs/dbraw/zinc/88/81/23/851888123.db2.gz INRKDEDECWUOLJ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281459 851888128 /nfs/dbraw/zinc/88/81/28/851888128.db2.gz INRKDEDECWUOLJ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001190281459 851888134 /nfs/dbraw/zinc/88/81/34/851888134.db2.gz INRKDEDECWUOLJ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102429 852354280 /nfs/dbraw/zinc/35/42/80/852354280.db2.gz JJPMSLIPFFMCEU-BZUAXINKSA-N 2 1 352.479 0.985 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102429 852354286 /nfs/dbraw/zinc/35/42/86/852354286.db2.gz JJPMSLIPFFMCEU-BZUAXINKSA-N 2 1 352.479 0.985 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CCCC1 ZINC001193766266 852485772 /nfs/dbraw/zinc/48/57/72/852485772.db2.gz QXFICGRXOOBYAF-BRWVUGGUSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001194038280 852528108 /nfs/dbraw/zinc/52/81/08/852528108.db2.gz ARPQOBQDRJZAPJ-ZIAGYGMSSA-N 2 1 361.433 0.305 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001194038280 852528118 /nfs/dbraw/zinc/52/81/18/852528118.db2.gz ARPQOBQDRJZAPJ-ZIAGYGMSSA-N 2 1 361.433 0.305 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982470 852685725 /nfs/dbraw/zinc/68/57/25/852685725.db2.gz LCDFSGQKPSAFPF-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CCCC1 ZINC001195005959 852691146 /nfs/dbraw/zinc/69/11/46/852691146.db2.gz BSFABRXFLOVNCE-BRWVUGGUSA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001195708355 852816064 /nfs/dbraw/zinc/81/60/64/852816064.db2.gz LWIDFAQDHSOBCL-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001195708355 852816068 /nfs/dbraw/zinc/81/60/68/852816068.db2.gz LWIDFAQDHSOBCL-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195822044 852832370 /nfs/dbraw/zinc/83/23/70/852832370.db2.gz UUBWUEDSFRBAND-ZIAGYGMSSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176346 852905300 /nfs/dbraw/zinc/90/53/00/852905300.db2.gz LUQSWAFMCKUNLZ-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176346 852905309 /nfs/dbraw/zinc/90/53/09/852905309.db2.gz LUQSWAFMCKUNLZ-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176346 852905316 /nfs/dbraw/zinc/90/53/16/852905316.db2.gz LUQSWAFMCKUNLZ-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176347 852905350 /nfs/dbraw/zinc/90/53/50/852905350.db2.gz LUQSWAFMCKUNLZ-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176347 852905360 /nfs/dbraw/zinc/90/53/60/852905360.db2.gz LUQSWAFMCKUNLZ-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001196176347 852905368 /nfs/dbraw/zinc/90/53/68/852905368.db2.gz LUQSWAFMCKUNLZ-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222619 852920970 /nfs/dbraw/zinc/92/09/70/852920970.db2.gz VFRVSYLRARWKTR-ARFHVFGLSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222619 852920976 /nfs/dbraw/zinc/92/09/76/852920976.db2.gz VFRVSYLRARWKTR-ARFHVFGLSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O)CC(C)(C)C ZINC001196222619 852920982 /nfs/dbraw/zinc/92/09/82/852920982.db2.gz VFRVSYLRARWKTR-ARFHVFGLSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001196631623 852989076 /nfs/dbraw/zinc/98/90/76/852989076.db2.gz KIUYDFFFNZVWAP-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001196631623 852989081 /nfs/dbraw/zinc/98/90/81/852989081.db2.gz KIUYDFFFNZVWAP-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196631623 852989087 /nfs/dbraw/zinc/98/90/87/852989087.db2.gz KIUYDFFFNZVWAP-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196631623 852989092 /nfs/dbraw/zinc/98/90/92/852989092.db2.gz KIUYDFFFNZVWAP-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637395 852990274 /nfs/dbraw/zinc/99/02/74/852990274.db2.gz LOEUVKJAKDVRSH-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637395 852990284 /nfs/dbraw/zinc/99/02/84/852990284.db2.gz LOEUVKJAKDVRSH-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001196939910 853035935 /nfs/dbraw/zinc/03/59/35/853035935.db2.gz NHNDWUCYGBWIRS-OPQOLIRYSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001196939910 853035943 /nfs/dbraw/zinc/03/59/43/853035943.db2.gz NHNDWUCYGBWIRS-OPQOLIRYSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O ZINC001196940997 853036900 /nfs/dbraw/zinc/03/69/00/853036900.db2.gz ZTIYKUTZONUKQD-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001196940997 853036906 /nfs/dbraw/zinc/03/69/06/853036906.db2.gz ZTIYKUTZONUKQD-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)CC1 ZINC001197320029 853099111 /nfs/dbraw/zinc/09/91/11/853099111.db2.gz TUPXPAVCZDDUSP-IAGOWNOFSA-N 2 1 367.515 0.563 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926299 853187946 /nfs/dbraw/zinc/18/79/46/853187946.db2.gz KIGHDXBCMJWZRX-ARFHVFGLSA-N 2 1 356.511 0.137 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926299 853187951 /nfs/dbraw/zinc/18/79/51/853187951.db2.gz KIGHDXBCMJWZRX-ARFHVFGLSA-N 2 1 356.511 0.137 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001199057523 853361140 /nfs/dbraw/zinc/36/11/40/853361140.db2.gz LSZRSPNMRGPKKN-KZNAEPCWSA-N 2 1 353.507 0.983 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057102 853361238 /nfs/dbraw/zinc/36/12/38/853361238.db2.gz DRNNPIKHCZTXJE-BZUAXINKSA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057102 853361241 /nfs/dbraw/zinc/36/12/41/853361241.db2.gz DRNNPIKHCZTXJE-BZUAXINKSA-N 2 1 354.495 0.068 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001199057339 853361392 /nfs/dbraw/zinc/36/13/92/853361392.db2.gz IMAPXYYAAKCLOM-RBSFLKMASA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001199057339 853361395 /nfs/dbraw/zinc/36/13/95/853361395.db2.gz IMAPXYYAAKCLOM-RBSFLKMASA-N 2 1 361.433 0.448 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001199959251 853469903 /nfs/dbraw/zinc/46/99/03/853469903.db2.gz QWZHCAWDTRFIIL-HNNXBMFYSA-N 2 1 356.536 0.426 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001199959251 853469908 /nfs/dbraw/zinc/46/99/08/853469908.db2.gz QWZHCAWDTRFIIL-HNNXBMFYSA-N 2 1 356.536 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCC(F)(F)F)C2)O1 ZINC001200787239 853511324 /nfs/dbraw/zinc/51/13/24/853511324.db2.gz PTNNPRGZFBTHSK-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCC(F)(F)F)C2)O1 ZINC001200787239 853511329 /nfs/dbraw/zinc/51/13/29/853511329.db2.gz PTNNPRGZFBTHSK-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001205334337 853604047 /nfs/dbraw/zinc/60/40/47/853604047.db2.gz KSKBZAQPYJPSIR-JKSUJKDBSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206992755 853778175 /nfs/dbraw/zinc/77/81/75/853778175.db2.gz FZMAMGOGKFLSLO-KLHDSHLOSA-N 2 1 374.551 0.045 20 0 FCADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206992755 853778179 /nfs/dbraw/zinc/77/81/79/853778179.db2.gz FZMAMGOGKFLSLO-KLHDSHLOSA-N 2 1 374.551 0.045 20 0 FCADMP C[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206992755 853778183 /nfs/dbraw/zinc/77/81/83/853778183.db2.gz FZMAMGOGKFLSLO-KLHDSHLOSA-N 2 1 374.551 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001207001107 853779726 /nfs/dbraw/zinc/77/97/26/853779726.db2.gz QORXGAMPQGFIDB-QKPAOTATSA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001207001107 853779734 /nfs/dbraw/zinc/77/97/34/853779734.db2.gz QORXGAMPQGFIDB-QKPAOTATSA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001207001107 853779740 /nfs/dbraw/zinc/77/97/40/853779740.db2.gz QORXGAMPQGFIDB-QKPAOTATSA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001207001107 853779745 /nfs/dbraw/zinc/77/97/45/853779745.db2.gz QORXGAMPQGFIDB-QKPAOTATSA-N 2 1 359.536 0.588 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001207232514 853793332 /nfs/dbraw/zinc/79/33/32/853793332.db2.gz VUPDCQCYUVQHFD-VNQPRFMTSA-N 2 1 356.486 0.724 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001207232514 853793336 /nfs/dbraw/zinc/79/33/36/853793336.db2.gz VUPDCQCYUVQHFD-VNQPRFMTSA-N 2 1 356.486 0.724 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001207232511 853793350 /nfs/dbraw/zinc/79/33/50/853793350.db2.gz VUPDCQCYUVQHFD-FVQBIDKESA-N 2 1 356.486 0.724 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001207232511 853793355 /nfs/dbraw/zinc/79/33/55/853793355.db2.gz VUPDCQCYUVQHFD-FVQBIDKESA-N 2 1 356.486 0.724 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207263475 853795556 /nfs/dbraw/zinc/79/55/56/853795556.db2.gz UCADDJKDOYXJQU-VNQPRFMTSA-N 2 1 356.486 0.629 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001207263475 853795561 /nfs/dbraw/zinc/79/55/61/853795561.db2.gz UCADDJKDOYXJQU-VNQPRFMTSA-N 2 1 356.486 0.629 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207546943 853823328 /nfs/dbraw/zinc/82/33/28/853823328.db2.gz GHCNVVORBWAMJB-MZMPZRCHSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207546943 853823331 /nfs/dbraw/zinc/82/33/31/853823331.db2.gz GHCNVVORBWAMJB-MZMPZRCHSA-N 2 1 350.507 0.632 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1)C1CC1 ZINC001207553866 853824929 /nfs/dbraw/zinc/82/49/29/853824929.db2.gz NCXWPQPUTSGUOX-MZMPZRCHSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1)C1CC1 ZINC001207553866 853824934 /nfs/dbraw/zinc/82/49/34/853824934.db2.gz NCXWPQPUTSGUOX-MZMPZRCHSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563449 853826446 /nfs/dbraw/zinc/82/64/46/853826446.db2.gz VGVQUGQNAULMQX-BPQIPLTHSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563449 853826454 /nfs/dbraw/zinc/82/64/54/853826454.db2.gz VGVQUGQNAULMQX-BPQIPLTHSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563449 853826462 /nfs/dbraw/zinc/82/64/62/853826462.db2.gz VGVQUGQNAULMQX-BPQIPLTHSA-N 2 1 355.523 0.941 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705485 853843531 /nfs/dbraw/zinc/84/35/31/853843531.db2.gz ANDGTUDWRZBHRI-RBSFLKMASA-N 2 1 354.495 0.045 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705485 853843533 /nfs/dbraw/zinc/84/35/33/853843533.db2.gz ANDGTUDWRZBHRI-RBSFLKMASA-N 2 1 354.495 0.045 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784416 853856969 /nfs/dbraw/zinc/85/69/69/853856969.db2.gz JLEHBADDHWPSTH-DJIMGWMZSA-N 2 1 350.463 0.352 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007962 853881332 /nfs/dbraw/zinc/88/13/32/853881332.db2.gz ONHOCDURQCTIKZ-IIAWOOMASA-N 2 1 350.463 0.206 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007962 853881336 /nfs/dbraw/zinc/88/13/36/853881336.db2.gz ONHOCDURQCTIKZ-IIAWOOMASA-N 2 1 350.463 0.206 20 0 FCADMP CCN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070311 853890692 /nfs/dbraw/zinc/89/06/92/853890692.db2.gz IVOQGHRRSKGIQI-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001208073256 853891807 /nfs/dbraw/zinc/89/18/07/853891807.db2.gz GIIPEBFNPVOIBW-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001208101528 853894662 /nfs/dbraw/zinc/89/46/62/853894662.db2.gz SGYASROVHYGDCL-INIZCTEOSA-N 2 1 356.511 0.802 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001208107164 853897716 /nfs/dbraw/zinc/89/77/16/853897716.db2.gz KVXNDHOXCFWBDJ-BRWVUGGUSA-N 2 1 351.491 0.809 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC001208107933 853897861 /nfs/dbraw/zinc/89/78/61/853897861.db2.gz XEDUTVMDLQIFPX-CVEARBPZSA-N 2 1 358.552 0.778 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410740 853929964 /nfs/dbraw/zinc/92/99/64/853929964.db2.gz DCKOTDRBMKCMJD-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410740 853929969 /nfs/dbraw/zinc/92/99/69/853929969.db2.gz DCKOTDRBMKCMJD-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208427635 853932189 /nfs/dbraw/zinc/93/21/89/853932189.db2.gz DJECZPPCFQSJFB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434880 853933779 /nfs/dbraw/zinc/93/37/79/853933779.db2.gz GTGLEVHTHCDIAC-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434880 853933782 /nfs/dbraw/zinc/93/37/82/853933782.db2.gz GTGLEVHTHCDIAC-HUUCEWRRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447744 853935705 /nfs/dbraw/zinc/93/57/05/853935705.db2.gz OTRAHHFRFNZVGO-HZSPNIEDSA-N 2 1 369.428 0.705 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494238 853941736 /nfs/dbraw/zinc/94/17/36/853941736.db2.gz MDTANOIRHPFXAK-JHJVBQTASA-N 2 1 355.401 0.314 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611941 853960314 /nfs/dbraw/zinc/96/03/14/853960314.db2.gz YPLFQBNEJRLACJ-MJGOQNOKSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208611941 853960318 /nfs/dbraw/zinc/96/03/18/853960318.db2.gz YPLFQBNEJRLACJ-MJGOQNOKSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208611941 853960320 /nfs/dbraw/zinc/96/03/20/853960320.db2.gz YPLFQBNEJRLACJ-MJGOQNOKSA-N 2 1 352.523 0.489 20 0 FCADMP COC(=O)[C@H](C)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001208714612 853968884 /nfs/dbraw/zinc/96/88/84/853968884.db2.gz LAXGZGCRXFHJPZ-OAHLLOKOSA-N 2 1 355.479 0.298 20 0 FCADMP COC(=O)[C@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001208714612 853968887 /nfs/dbraw/zinc/96/88/87/853968887.db2.gz LAXGZGCRXFHJPZ-OAHLLOKOSA-N 2 1 355.479 0.298 20 0 FCADMP C[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506677 854032302 /nfs/dbraw/zinc/03/23/02/854032302.db2.gz QSZVJZMIGNSTPE-FGTMMUONSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506677 854032312 /nfs/dbraw/zinc/03/23/12/854032312.db2.gz QSZVJZMIGNSTPE-FGTMMUONSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210041074 854072815 /nfs/dbraw/zinc/07/28/15/854072815.db2.gz PBPVIMLVXWBJJD-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210041074 854072822 /nfs/dbraw/zinc/07/28/22/854072822.db2.gz PBPVIMLVXWBJJD-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001210041074 854072828 /nfs/dbraw/zinc/07/28/28/854072828.db2.gz PBPVIMLVXWBJJD-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297480 854097599 /nfs/dbraw/zinc/09/75/99/854097599.db2.gz GZIFBTBFPBNMDA-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297480 854097604 /nfs/dbraw/zinc/09/76/04/854097604.db2.gz GZIFBTBFPBNMDA-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210416141 854107482 /nfs/dbraw/zinc/10/74/82/854107482.db2.gz IRDGZCIZAQJCAF-BRWVUGGUSA-N 2 1 351.495 0.412 20 0 FCADMP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433862 854109869 /nfs/dbraw/zinc/10/98/69/854109869.db2.gz ZLDIEYSGZMLFNN-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433862 854109871 /nfs/dbraw/zinc/10/98/71/854109871.db2.gz ZLDIEYSGZMLFNN-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001210476797 854112753 /nfs/dbraw/zinc/11/27/53/854112753.db2.gz IURNVMSXVILEED-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001210476797 854112757 /nfs/dbraw/zinc/11/27/57/854112757.db2.gz IURNVMSXVILEED-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001210476797 854112759 /nfs/dbraw/zinc/11/27/59/854112759.db2.gz IURNVMSXVILEED-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001210476797 854112763 /nfs/dbraw/zinc/11/27/63/854112763.db2.gz IURNVMSXVILEED-HZPDHXFCSA-N 2 1 356.511 0.308 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538758 854116610 /nfs/dbraw/zinc/11/66/10/854116610.db2.gz MALGBTOKEBPUBD-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538758 854116617 /nfs/dbraw/zinc/11/66/17/854116617.db2.gz MALGBTOKEBPUBD-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538758 854116618 /nfs/dbraw/zinc/11/66/18/854116618.db2.gz MALGBTOKEBPUBD-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538758 854116622 /nfs/dbraw/zinc/11/66/22/854116622.db2.gz MALGBTOKEBPUBD-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538759 854117439 /nfs/dbraw/zinc/11/74/39/854117439.db2.gz MALGBTOKEBPUBD-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538759 854117443 /nfs/dbraw/zinc/11/74/43/854117443.db2.gz MALGBTOKEBPUBD-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538759 854117447 /nfs/dbraw/zinc/11/74/47/854117447.db2.gz MALGBTOKEBPUBD-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210538759 854117449 /nfs/dbraw/zinc/11/74/49/854117449.db2.gz MALGBTOKEBPUBD-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094899 854156991 /nfs/dbraw/zinc/15/69/91/854156991.db2.gz XONFOTBLTBKOCZ-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309331 854175818 /nfs/dbraw/zinc/17/58/18/854175818.db2.gz AJAVEBFTDHFALI-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310743 854176332 /nfs/dbraw/zinc/17/63/32/854176332.db2.gz VTOWQKIRHSBCHN-BRWVUGGUSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310743 854176336 /nfs/dbraw/zinc/17/63/36/854176336.db2.gz VTOWQKIRHSBCHN-BRWVUGGUSA-N 2 1 371.547 0.734 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367546 854181671 /nfs/dbraw/zinc/18/16/71/854181671.db2.gz VDQJSFIAFYGJHI-OWCLPIDISA-N 2 1 356.511 0.304 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367546 854181675 /nfs/dbraw/zinc/18/16/75/854181675.db2.gz VDQJSFIAFYGJHI-OWCLPIDISA-N 2 1 356.511 0.304 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367546 854181687 /nfs/dbraw/zinc/18/16/87/854181687.db2.gz VDQJSFIAFYGJHI-OWCLPIDISA-N 2 1 356.511 0.304 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367546 854181689 /nfs/dbraw/zinc/18/16/89/854181689.db2.gz VDQJSFIAFYGJHI-OWCLPIDISA-N 2 1 356.511 0.304 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369646 854182660 /nfs/dbraw/zinc/18/26/60/854182660.db2.gz NCBKFYDRTOMFMN-HUUCEWRRSA-N 2 1 362.540 0.093 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211369646 854182665 /nfs/dbraw/zinc/18/26/65/854182665.db2.gz NCBKFYDRTOMFMN-HUUCEWRRSA-N 2 1 362.540 0.093 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369646 854182669 /nfs/dbraw/zinc/18/26/69/854182669.db2.gz NCBKFYDRTOMFMN-HUUCEWRRSA-N 2 1 362.540 0.093 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369866 854182827 /nfs/dbraw/zinc/18/28/27/854182827.db2.gz RHZHCLBVVIIZSE-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369866 854182831 /nfs/dbraw/zinc/18/28/31/854182831.db2.gz RHZHCLBVVIIZSE-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369866 854182833 /nfs/dbraw/zinc/18/28/33/854182833.db2.gz RHZHCLBVVIIZSE-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001211369866 854182838 /nfs/dbraw/zinc/18/28/38/854182838.db2.gz RHZHCLBVVIIZSE-BZUAXINKSA-N 2 1 359.536 0.588 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371074 854182998 /nfs/dbraw/zinc/18/29/98/854182998.db2.gz KHYBYBXBGZJBBD-UKRRQHHQSA-N 2 1 354.520 0.995 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371074 854183002 /nfs/dbraw/zinc/18/30/02/854183002.db2.gz KHYBYBXBGZJBBD-UKRRQHHQSA-N 2 1 354.520 0.995 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371074 854183004 /nfs/dbraw/zinc/18/30/04/854183004.db2.gz KHYBYBXBGZJBBD-UKRRQHHQSA-N 2 1 354.520 0.995 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371074 854183009 /nfs/dbraw/zinc/18/30/09/854183009.db2.gz KHYBYBXBGZJBBD-UKRRQHHQSA-N 2 1 354.520 0.995 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374135 854184394 /nfs/dbraw/zinc/18/43/94/854184394.db2.gz ANYCEVGDSLATFL-JFIYKMOQSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374135 854184397 /nfs/dbraw/zinc/18/43/97/854184397.db2.gz ANYCEVGDSLATFL-JFIYKMOQSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212281841 854426243 /nfs/dbraw/zinc/42/62/43/854426243.db2.gz CVEOIITUTIAXFW-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212281841 854426247 /nfs/dbraw/zinc/42/62/47/854426247.db2.gz CVEOIITUTIAXFW-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293556 854430660 /nfs/dbraw/zinc/43/06/60/854430660.db2.gz XHRMSGZIXCXFMC-RCCFBDPRSA-N 2 1 353.507 0.816 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293537 854430690 /nfs/dbraw/zinc/43/06/90/854430690.db2.gz VYTVFEXIKPZDSD-KZNAEPCWSA-N 2 1 351.491 0.570 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1OC ZINC001212352967 854447567 /nfs/dbraw/zinc/44/75/67/854447567.db2.gz GKHOJBBMVJYTMW-GVDBMIGSSA-N 2 1 359.486 0.908 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1OC ZINC001212352967 854447570 /nfs/dbraw/zinc/44/75/70/854447570.db2.gz GKHOJBBMVJYTMW-GVDBMIGSSA-N 2 1 359.486 0.908 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001212403604 854464522 /nfs/dbraw/zinc/46/45/22/854464522.db2.gz OFIFCWYWWFCYCJ-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001212403604 854464527 /nfs/dbraw/zinc/46/45/27/854464527.db2.gz OFIFCWYWWFCYCJ-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001212403604 854464535 /nfs/dbraw/zinc/46/45/35/854464535.db2.gz OFIFCWYWWFCYCJ-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@H](OC)C1 ZINC001213204431 854531895 /nfs/dbraw/zinc/53/18/95/854531895.db2.gz KEVDJUCFHBQELQ-HZPDHXFCSA-N 2 1 352.479 0.985 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342323 854582737 /nfs/dbraw/zinc/58/27/37/854582737.db2.gz RFXHNRXHHYSBJP-ARFHVFGLSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434801 854614260 /nfs/dbraw/zinc/61/42/60/854614260.db2.gz LPPGYNBPZXKGFV-IXDOHACOSA-N 2 1 351.495 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCn1ccnc1C ZINC001213575921 854672515 /nfs/dbraw/zinc/67/25/15/854672515.db2.gz ASAPFNWHGAUBQH-USXIJHARSA-N 2 1 352.479 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575921 854672521 /nfs/dbraw/zinc/67/25/21/854672521.db2.gz ASAPFNWHGAUBQH-USXIJHARSA-N 2 1 352.479 0.948 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581244 854675447 /nfs/dbraw/zinc/67/54/47/854675447.db2.gz SOVLZQZUSQZNKE-BRWVUGGUSA-N 2 1 355.479 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581244 854675451 /nfs/dbraw/zinc/67/54/51/854675451.db2.gz SOVLZQZUSQZNKE-BRWVUGGUSA-N 2 1 355.479 0.093 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213675993 854710758 /nfs/dbraw/zinc/71/07/58/854710758.db2.gz KJOUDCUNICTXOK-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213675993 854710761 /nfs/dbraw/zinc/71/07/61/854710761.db2.gz KJOUDCUNICTXOK-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213675993 854710767 /nfs/dbraw/zinc/71/07/67/854710767.db2.gz KJOUDCUNICTXOK-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213675993 854710774 /nfs/dbraw/zinc/71/07/74/854710774.db2.gz KJOUDCUNICTXOK-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728902 854739462 /nfs/dbraw/zinc/73/94/62/854739462.db2.gz YWNREAIJNXFXLV-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001213730380 854740234 /nfs/dbraw/zinc/74/02/34/854740234.db2.gz NENJBGKMDPTYED-FRFSOERESA-N 2 1 350.463 0.738 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001213730380 854740238 /nfs/dbraw/zinc/74/02/38/854740238.db2.gz NENJBGKMDPTYED-FRFSOERESA-N 2 1 350.463 0.738 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767181 854758800 /nfs/dbraw/zinc/75/88/00/854758800.db2.gz GWWZZUULVPSALM-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767181 854758813 /nfs/dbraw/zinc/75/88/13/854758813.db2.gz GWWZZUULVPSALM-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767181 854758824 /nfs/dbraw/zinc/75/88/24/854758824.db2.gz GWWZZUULVPSALM-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213767297 854760122 /nfs/dbraw/zinc/76/01/22/854760122.db2.gz MDRBUYOREIBMGS-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213767297 854760128 /nfs/dbraw/zinc/76/01/28/854760128.db2.gz MDRBUYOREIBMGS-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213767297 854760130 /nfs/dbraw/zinc/76/01/30/854760130.db2.gz MDRBUYOREIBMGS-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001213767297 854760136 /nfs/dbraw/zinc/76/01/36/854760136.db2.gz MDRBUYOREIBMGS-HUUCEWRRSA-N 2 1 353.467 0.468 20 0 FCADMP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859566 854795001 /nfs/dbraw/zinc/79/50/01/854795001.db2.gz GCSYOGQBTXTVKM-BRWVUGGUSA-N 2 1 355.479 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859566 854795007 /nfs/dbraw/zinc/79/50/07/854795007.db2.gz GCSYOGQBTXTVKM-BRWVUGGUSA-N 2 1 355.479 0.093 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863977 854799003 /nfs/dbraw/zinc/79/90/03/854799003.db2.gz WPWPDKOQTHAJKZ-GVDBMIGSSA-N 2 1 357.495 0.197 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214343967 854928016 /nfs/dbraw/zinc/92/80/16/854928016.db2.gz KVPSKBGETDXZTO-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214662201 854987735 /nfs/dbraw/zinc/98/77/35/854987735.db2.gz YOEJXSWQJNBQKZ-QLFBSQMISA-N 2 1 370.519 0.878 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214664172 854989292 /nfs/dbraw/zinc/98/92/92/854989292.db2.gz OOPSARVNMULNRH-MUIFIZLQSA-N 2 1 350.507 0.822 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214780316 855012319 /nfs/dbraw/zinc/01/23/19/855012319.db2.gz UYWBSOVAVOVDGV-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214850649 855022907 /nfs/dbraw/zinc/02/29/07/855022907.db2.gz ZWQMUUDJQZDJQA-BRWVUGGUSA-N 2 1 351.495 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214861140 855024210 /nfs/dbraw/zinc/02/42/10/855024210.db2.gz JEMLDCSZNMCDDY-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214967214 855042413 /nfs/dbraw/zinc/04/24/13/855042413.db2.gz SPMRTSNLPSEGIM-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001215000089 855049549 /nfs/dbraw/zinc/04/95/49/855049549.db2.gz XQFDHYNCIQWRAD-HUUCEWRRSA-N 2 1 361.552 0.978 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001215001501 855050752 /nfs/dbraw/zinc/05/07/52/855050752.db2.gz JUXMLUOZQNKYLX-ZIAGYGMSSA-N 2 1 354.474 0.914 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001215001501 855050760 /nfs/dbraw/zinc/05/07/60/855050760.db2.gz JUXMLUOZQNKYLX-ZIAGYGMSSA-N 2 1 354.474 0.914 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001215155994 855074319 /nfs/dbraw/zinc/07/43/19/855074319.db2.gz TUCRNWBAQMJPIY-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001215381373 855107063 /nfs/dbraw/zinc/10/70/63/855107063.db2.gz VCECAWXRJCBEIM-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)CC2 ZINC001215414677 855112033 /nfs/dbraw/zinc/11/20/33/855112033.db2.gz ZTOTTXOCLFIGSA-IVMMDQJWSA-N 2 1 368.503 0.235 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215536045 855125074 /nfs/dbraw/zinc/12/50/74/855125074.db2.gz FOEYHVGVYTWYTD-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215536883 855125867 /nfs/dbraw/zinc/12/58/67/855125867.db2.gz XXUNXXPZGGPUNT-BZUAXINKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001215539887 855126621 /nfs/dbraw/zinc/12/66/21/855126621.db2.gz BNQKLOPEPSLQQY-BFHYXJOUSA-N 2 1 365.503 0.860 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3nncs3)C2)C1 ZINC001215540588 855126631 /nfs/dbraw/zinc/12/66/31/855126631.db2.gz MZXWWFUSTPWUBX-JHJVBQTASA-N 2 1 366.491 0.255 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930198 855157614 /nfs/dbraw/zinc/15/76/14/855157614.db2.gz SQLOXTFXKWYCIN-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215934505 855157917 /nfs/dbraw/zinc/15/79/17/855157917.db2.gz WOAGPSVTCGINTM-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001215939222 855158890 /nfs/dbraw/zinc/15/88/90/855158890.db2.gz ZQKOOPVRNYEYDU-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216226254 855181330 /nfs/dbraw/zinc/18/13/30/855181330.db2.gz PFPCWDXRGGXVKU-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226309 855181384 /nfs/dbraw/zinc/18/13/84/855181384.db2.gz RYGKGYLRRIHMNF-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229930 855182156 /nfs/dbraw/zinc/18/21/56/855182156.db2.gz SKUOYAPUKQAKTE-FRRDWIJNSA-N 2 1 366.428 0.832 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382965 855196788 /nfs/dbraw/zinc/19/67/88/855196788.db2.gz FSCFJXHPLDYVQH-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216464154 855204691 /nfs/dbraw/zinc/20/46/91/855204691.db2.gz MCUGLPIQLVSUOQ-HUUCEWRRSA-N 2 1 351.499 0.922 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216511389 855209452 /nfs/dbraw/zinc/20/94/52/855209452.db2.gz QLDLHJMLNIQJBH-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216511421 855209679 /nfs/dbraw/zinc/20/96/79/855209679.db2.gz RRIQSMLTZLMHDM-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216751938 855231571 /nfs/dbraw/zinc/23/15/71/855231571.db2.gz CKZVJTYYPLESRZ-MGPQQGTHSA-N 2 1 365.503 0.494 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC001216757948 855233846 /nfs/dbraw/zinc/23/38/46/855233846.db2.gz SIBBMWZPLBECHV-DJIMGWMZSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)s1 ZINC001216851859 855259521 /nfs/dbraw/zinc/25/95/21/855259521.db2.gz JPEJUPKGGYXZKV-DGCLKSJQSA-N 2 1 368.507 0.562 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216854442 855260764 /nfs/dbraw/zinc/26/07/64/855260764.db2.gz ZCWBWNXSUFNQJL-FRRDWIJNSA-N 2 1 366.428 0.830 20 0 FCADMP CC/C=C/CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162862 855402706 /nfs/dbraw/zinc/40/27/06/855402706.db2.gz TXBPLZYYGNJMPD-VLBSHIBISA-N 2 1 351.491 0.973 20 0 FCADMP CC/C=C/CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162862 855402707 /nfs/dbraw/zinc/40/27/07/855402707.db2.gz TXBPLZYYGNJMPD-VLBSHIBISA-N 2 1 351.491 0.973 20 0 FCADMP CC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162862 855402709 /nfs/dbraw/zinc/40/27/09/855402709.db2.gz TXBPLZYYGNJMPD-VLBSHIBISA-N 2 1 351.491 0.973 20 0 FCADMP CC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162862 855402711 /nfs/dbraw/zinc/40/27/11/855402711.db2.gz TXBPLZYYGNJMPD-VLBSHIBISA-N 2 1 351.491 0.973 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC001218356126 855417476 /nfs/dbraw/zinc/41/74/76/855417476.db2.gz YEIDNGGHYGKLLV-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650741 855458846 /nfs/dbraw/zinc/45/88/46/855458846.db2.gz KCHZOXOPKCKNAA-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650741 855458849 /nfs/dbraw/zinc/45/88/49/855458849.db2.gz KCHZOXOPKCKNAA-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP CN1CCN(c2ccc(F)cc2NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001218861683 855487688 /nfs/dbraw/zinc/48/76/88/855487688.db2.gz MFJHXYXABLBVKE-ZDUSSCGKSA-N 2 1 355.483 0.535 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965692 855504612 /nfs/dbraw/zinc/50/46/12/855504612.db2.gz QLOJOUPFHLPEJC-DLBZAZTESA-N 2 1 357.495 0.293 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218980945 855506383 /nfs/dbraw/zinc/50/63/83/855506383.db2.gz KWWFPWBNXOVNGM-UHFFFAOYSA-N 2 1 354.476 0.489 20 0 FCADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652131 855756258 /nfs/dbraw/zinc/75/62/58/855756258.db2.gz BRRQABUVGGJQFG-SJORKVTESA-N 2 1 351.495 0.800 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796701 855816823 /nfs/dbraw/zinc/81/68/23/855816823.db2.gz MSWMEEHZXMLHCS-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796701 855816829 /nfs/dbraw/zinc/81/68/29/855816829.db2.gz MSWMEEHZXMLHCS-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219796701 855816831 /nfs/dbraw/zinc/81/68/31/855816831.db2.gz MSWMEEHZXMLHCS-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796697 855817716 /nfs/dbraw/zinc/81/77/16/855817716.db2.gz MROCUGQQDHJBSK-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796697 855817718 /nfs/dbraw/zinc/81/77/18/855817718.db2.gz MROCUGQQDHJBSK-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796697 855817721 /nfs/dbraw/zinc/81/77/21/855817721.db2.gz MROCUGQQDHJBSK-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823326 855831833 /nfs/dbraw/zinc/83/18/33/855831833.db2.gz PFRWZJJPTRXCLQ-KGLIPLIRSA-N 3 1 350.488 0.461 20 0 FCADMP CN1C[C@@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823326 855831837 /nfs/dbraw/zinc/83/18/37/855831837.db2.gz PFRWZJJPTRXCLQ-KGLIPLIRSA-N 2 1 350.488 0.461 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219922742 855879768 /nfs/dbraw/zinc/87/97/68/855879768.db2.gz DTNDMEMYHGJSJX-UAGQMJEPSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219922742 855879774 /nfs/dbraw/zinc/87/97/74/855879774.db2.gz DTNDMEMYHGJSJX-UAGQMJEPSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219922742 855879777 /nfs/dbraw/zinc/87/97/77/855879777.db2.gz DTNDMEMYHGJSJX-UAGQMJEPSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022375 855922425 /nfs/dbraw/zinc/92/24/25/855922425.db2.gz GDTRZSOOSGXMBX-UWVGGRQHSA-N 2 1 354.476 0.805 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220251954 856029920 /nfs/dbraw/zinc/02/99/20/856029920.db2.gz KLNCSIYXMVUZQY-PMPSAXMXSA-N 3 1 353.511 0.034 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359420 856082065 /nfs/dbraw/zinc/08/20/65/856082065.db2.gz LOVUTDNIAOSSTB-VKJFTORMSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359420 856082066 /nfs/dbraw/zinc/08/20/66/856082066.db2.gz LOVUTDNIAOSSTB-VKJFTORMSA-N 2 1 359.486 0.787 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359420 856082072 /nfs/dbraw/zinc/08/20/72/856082072.db2.gz LOVUTDNIAOSSTB-VKJFTORMSA-N 2 1 359.486 0.787 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359100 856082271 /nfs/dbraw/zinc/08/22/71/856082271.db2.gz AHTREFFHHZJBKQ-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359100 856082277 /nfs/dbraw/zinc/08/22/77/856082277.db2.gz AHTREFFHHZJBKQ-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CCO[C@H](C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1)C1CC1 ZINC001220359100 856082282 /nfs/dbraw/zinc/08/22/82/856082282.db2.gz AHTREFFHHZJBKQ-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387939 856102099 /nfs/dbraw/zinc/10/20/99/856102099.db2.gz VRIWYWOMYNHIKT-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478583 856146873 /nfs/dbraw/zinc/14/68/73/856146873.db2.gz DGUHRQGXOQZHDR-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478583 856146875 /nfs/dbraw/zinc/14/68/75/856146875.db2.gz DGUHRQGXOQZHDR-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001220478583 856146879 /nfs/dbraw/zinc/14/68/79/856146879.db2.gz DGUHRQGXOQZHDR-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001220478583 856146882 /nfs/dbraw/zinc/14/68/82/856146882.db2.gz DGUHRQGXOQZHDR-IKGGRYGDSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)CC1 ZINC001220638133 856214994 /nfs/dbraw/zinc/21/49/94/856214994.db2.gz TUPXPAVCZDDUSP-SJORKVTESA-N 2 1 367.515 0.563 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800698 856306662 /nfs/dbraw/zinc/30/66/62/856306662.db2.gz UFCMLDBRRINPRL-YNEHKIRRSA-N 3 1 364.412 0.096 20 0 FCADMP CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800698 856306664 /nfs/dbraw/zinc/30/66/64/856306664.db2.gz UFCMLDBRRINPRL-YNEHKIRRSA-N 2 1 364.412 0.096 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220821948 856323758 /nfs/dbraw/zinc/32/37/58/856323758.db2.gz KXEYGIHIUJBKHO-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220821948 856323765 /nfs/dbraw/zinc/32/37/65/856323765.db2.gz KXEYGIHIUJBKHO-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220821948 856323768 /nfs/dbraw/zinc/32/37/68/856323768.db2.gz KXEYGIHIUJBKHO-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220821948 856323775 /nfs/dbraw/zinc/32/37/75/856323775.db2.gz KXEYGIHIUJBKHO-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825663 856325954 /nfs/dbraw/zinc/32/59/54/856325954.db2.gz ABSKJIWOYDXLFP-SQNIBIBYSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825663 856325960 /nfs/dbraw/zinc/32/59/60/856325960.db2.gz ABSKJIWOYDXLFP-SQNIBIBYSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825663 856325965 /nfs/dbraw/zinc/32/59/65/856325965.db2.gz ABSKJIWOYDXLFP-SQNIBIBYSA-N 2 1 355.523 0.821 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)c1 ZINC001220911239 856370328 /nfs/dbraw/zinc/37/03/28/856370328.db2.gz KWXKVJKCCBRBRR-SJORKVTESA-N 2 1 351.422 0.638 20 0 FCADMP CN(C)C(=O)CN1CCC[C@@]2(CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001279247116 862789434 /nfs/dbraw/zinc/78/94/34/862789434.db2.gz QVDVALNSOSVLLQ-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220994616 856413706 /nfs/dbraw/zinc/41/37/06/856413706.db2.gz ZAOXPLDQTCJGPC-MSOLQXFVSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001221154207 856486509 /nfs/dbraw/zinc/48/65/09/856486509.db2.gz GXUMJDQEFPTIMN-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001221158594 856489990 /nfs/dbraw/zinc/48/99/90/856489990.db2.gz NUTTVBYMQTWULQ-KSZLIROESA-N 2 1 353.507 0.983 20 0 FCADMP [NH3+]CCCP(CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)c1ccccc1 ZINC001221271965 856534960 /nfs/dbraw/zinc/53/49/60/856534960.db2.gz PLMHDLQGQPSWPY-LFUZPPSTSA-N 2 1 361.430 0.942 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552905 856604614 /nfs/dbraw/zinc/60/46/14/856604614.db2.gz JLXAMFIIJOQRPI-BRWVUGGUSA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221587828 856614021 /nfs/dbraw/zinc/61/40/21/856614021.db2.gz JQGSOXXASNFPAA-OWCLPIDISA-N 2 1 352.458 0.491 20 0 FCADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221711004 856660006 /nfs/dbraw/zinc/66/00/06/856660006.db2.gz UBRIYJOWKSYPPV-KURKYZTESA-N 2 1 351.491 0.402 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221791596 856685824 /nfs/dbraw/zinc/68/58/24/856685824.db2.gz UPYSFNIMNMNDNQ-MGPQQGTHSA-N 2 1 367.412 0.411 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910580 856730857 /nfs/dbraw/zinc/73/08/57/856730857.db2.gz KMOZWQRFMZSZEP-FGTMMUONSA-N 2 1 353.507 0.647 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221921914 856734513 /nfs/dbraw/zinc/73/45/13/856734513.db2.gz PUTLURZKRBRQGX-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221921914 856734516 /nfs/dbraw/zinc/73/45/16/856734516.db2.gz PUTLURZKRBRQGX-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221921914 856734521 /nfs/dbraw/zinc/73/45/21/856734521.db2.gz PUTLURZKRBRQGX-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221921914 856734525 /nfs/dbraw/zinc/73/45/25/856734525.db2.gz PUTLURZKRBRQGX-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945711 856743736 /nfs/dbraw/zinc/74/37/36/856743736.db2.gz XIEACBXHXSVPJN-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945711 856743738 /nfs/dbraw/zinc/74/37/38/856743738.db2.gz XIEACBXHXSVPJN-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945711 856743743 /nfs/dbraw/zinc/74/37/43/856743743.db2.gz XIEACBXHXSVPJN-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945711 856743745 /nfs/dbraw/zinc/74/37/45/856743745.db2.gz XIEACBXHXSVPJN-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949899 856746330 /nfs/dbraw/zinc/74/63/30/856746330.db2.gz MFTLORWWQPUOMS-HZSPNIEDSA-N 2 1 361.408 0.928 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221962375 856750748 /nfs/dbraw/zinc/75/07/48/856750748.db2.gz AFTAWEQHOAJEOV-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221962375 856750762 /nfs/dbraw/zinc/75/07/62/856750762.db2.gz AFTAWEQHOAJEOV-BRWVUGGUSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221966952 856751677 /nfs/dbraw/zinc/75/16/77/856751677.db2.gz MXBVXXIUQPKETD-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221966952 856751685 /nfs/dbraw/zinc/75/16/85/856751685.db2.gz MXBVXXIUQPKETD-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221966952 856751693 /nfs/dbraw/zinc/75/16/93/856751693.db2.gz MXBVXXIUQPKETD-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221966952 856751705 /nfs/dbraw/zinc/75/17/05/856751705.db2.gz MXBVXXIUQPKETD-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001221968518 856752601 /nfs/dbraw/zinc/75/26/01/856752601.db2.gz QWSNBRAMPHQCPZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221968518 856752604 /nfs/dbraw/zinc/75/26/04/856752604.db2.gz QWSNBRAMPHQCPZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221968518 856752607 /nfs/dbraw/zinc/75/26/07/856752607.db2.gz QWSNBRAMPHQCPZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221973676 856754365 /nfs/dbraw/zinc/75/43/65/856754365.db2.gz JGMVAMJZQNICAJ-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221973676 856754372 /nfs/dbraw/zinc/75/43/72/856754372.db2.gz JGMVAMJZQNICAJ-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221973676 856754377 /nfs/dbraw/zinc/75/43/77/856754377.db2.gz JGMVAMJZQNICAJ-KZNAEPCWSA-N 2 1 355.523 0.894 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018215 856768603 /nfs/dbraw/zinc/76/86/03/856768603.db2.gz RWCWRCYYAWDPPL-RCCFBDPRSA-N 2 1 353.507 0.914 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001222017953 856768681 /nfs/dbraw/zinc/76/86/81/856768681.db2.gz DYSLZLFELYRKTG-KZNAEPCWSA-N 2 1 351.491 0.811 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438338 856839441 /nfs/dbraw/zinc/83/94/41/856839441.db2.gz KNOFZDBFTXNLKI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222438338 856839454 /nfs/dbraw/zinc/83/94/54/856839454.db2.gz KNOFZDBFTXNLKI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222438338 856839464 /nfs/dbraw/zinc/83/94/64/856839464.db2.gz KNOFZDBFTXNLKI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222438338 856839469 /nfs/dbraw/zinc/83/94/69/856839469.db2.gz KNOFZDBFTXNLKI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001222789216 856873420 /nfs/dbraw/zinc/87/34/20/856873420.db2.gz HSSKTKXBLBYOOP-OAGGEKHMSA-N 2 1 356.486 0.677 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001222789216 856873424 /nfs/dbraw/zinc/87/34/24/856873424.db2.gz HSSKTKXBLBYOOP-OAGGEKHMSA-N 2 1 356.486 0.677 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222892488 856880568 /nfs/dbraw/zinc/88/05/68/856880568.db2.gz QBCASXAOORVBOH-UWWQBHOKSA-N 2 1 350.507 0.774 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222891982 856880629 /nfs/dbraw/zinc/88/06/29/856880629.db2.gz JYXCKZIHRBFSPM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222891982 856880631 /nfs/dbraw/zinc/88/06/31/856880631.db2.gz JYXCKZIHRBFSPM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500335 856921458 /nfs/dbraw/zinc/92/14/58/856921458.db2.gz QOQBRRYGYSGHQP-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500335 856921464 /nfs/dbraw/zinc/92/14/64/856921464.db2.gz QOQBRRYGYSGHQP-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500335 856921475 /nfs/dbraw/zinc/92/14/75/856921475.db2.gz QOQBRRYGYSGHQP-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500335 856921481 /nfs/dbraw/zinc/92/14/81/856921481.db2.gz QOQBRRYGYSGHQP-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500337 856921980 /nfs/dbraw/zinc/92/19/80/856921980.db2.gz QOQBRRYGYSGHQP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500337 856921985 /nfs/dbraw/zinc/92/19/85/856921985.db2.gz QOQBRRYGYSGHQP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500337 856921990 /nfs/dbraw/zinc/92/19/90/856921990.db2.gz QOQBRRYGYSGHQP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500337 856921992 /nfs/dbraw/zinc/92/19/92/856921992.db2.gz QOQBRRYGYSGHQP-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)CC1 ZINC001223737604 856941463 /nfs/dbraw/zinc/94/14/63/856941463.db2.gz QPYQMHHWAPLTCQ-MSOLQXFVSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC001223916251 856951262 /nfs/dbraw/zinc/95/12/62/856951262.db2.gz CQBKXLCZWVWDOJ-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985195 856953491 /nfs/dbraw/zinc/95/34/91/856953491.db2.gz SDMASSMSXITORS-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985195 856953495 /nfs/dbraw/zinc/95/34/95/856953495.db2.gz SDMASSMSXITORS-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985195 856953499 /nfs/dbraw/zinc/95/34/99/856953499.db2.gz SDMASSMSXITORS-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985195 856953501 /nfs/dbraw/zinc/95/35/01/856953501.db2.gz SDMASSMSXITORS-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001227354330 857156045 /nfs/dbraw/zinc/15/60/45/857156045.db2.gz ARISWFSHGZLJDW-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354330 857156046 /nfs/dbraw/zinc/15/60/46/857156046.db2.gz ARISWFSHGZLJDW-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001227354330 857156047 /nfs/dbraw/zinc/15/60/47/857156047.db2.gz ARISWFSHGZLJDW-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001228603687 857218586 /nfs/dbraw/zinc/21/85/86/857218586.db2.gz RPIBDHRSEPWSRV-USXIJHARSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001229852491 857290464 /nfs/dbraw/zinc/29/04/64/857290464.db2.gz JUTAXCKMZMTBQZ-ZIAGYGMSSA-N 2 1 352.483 0.357 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(NS(C)(=O)=O)cc2)C1 ZINC001233268822 857379804 /nfs/dbraw/zinc/37/98/04/857379804.db2.gz AXERBQQHHVLZJM-MRXNPFEDSA-N 2 1 368.503 0.700 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(NS(C)(=O)=O)cc2)C1 ZINC001233268822 857379815 /nfs/dbraw/zinc/37/98/15/857379815.db2.gz AXERBQQHHVLZJM-MRXNPFEDSA-N 2 1 368.503 0.700 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401490 857404516 /nfs/dbraw/zinc/40/45/16/857404516.db2.gz FMKPENGVVSBODF-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401490 857404518 /nfs/dbraw/zinc/40/45/18/857404518.db2.gz FMKPENGVVSBODF-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234401490 857404519 /nfs/dbraw/zinc/40/45/19/857404519.db2.gz FMKPENGVVSBODF-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401490 857404522 /nfs/dbraw/zinc/40/45/22/857404522.db2.gz FMKPENGVVSBODF-BZUAXINKSA-N 2 1 353.511 0.567 20 0 FCADMP Brc1cnc2[nH]cc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)c2n1 ZINC001234990471 857418071 /nfs/dbraw/zinc/41/80/71/857418071.db2.gz DJSZWJDAJBTXKM-CQSZACIVSA-N 2 1 351.252 0.858 20 0 FCADMP Cn1cnc2c1[C@@H](COCCN1CCOCC1)C[N@@H+](CCCC[NH3+])C2 ZINC001235555242 857427216 /nfs/dbraw/zinc/42/72/16/857427216.db2.gz QSASSKCEXLPJGM-MRXNPFEDSA-N 2 1 351.495 0.407 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235723031 857431345 /nfs/dbraw/zinc/43/13/45/857431345.db2.gz NZLZYRUBKXVCPW-BZUAXINKSA-N 2 1 354.495 0.107 20 0 FCADMP O[C@@H](CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)COCC(F)(F)C(F)F ZINC001245983526 857562692 /nfs/dbraw/zinc/56/26/92/857562692.db2.gz GUXHDMBNNKBVAP-RYUDHWBXSA-N 2 1 357.392 0.728 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3COC4(C3)CC[NH2+]CC4)C[C@H](C1)N2 ZINC001246123710 857569212 /nfs/dbraw/zinc/56/92/12/857569212.db2.gz AQWRCRMTPNTIMG-LKRQVQDUSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[C@@H]1C[C@@H](NCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215908 857571593 /nfs/dbraw/zinc/57/15/93/857571593.db2.gz KTPWMTCPZFBAES-ROUUACIJSA-N 2 1 361.527 0.378 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCCC[S@@](C)=O)CC1 ZINC001246398064 857576592 /nfs/dbraw/zinc/57/65/92/857576592.db2.gz JHGMACKEFHUXQU-HSZRJFAPSA-N 2 1 355.533 0.888 20 0 FCADMP C[C@@H]([NH3+])c1cc(F)c(N([C@H]2CC[NH2+]C3(CNC3)C2)S(C)(=O)=O)c(F)c1 ZINC001246465860 857581748 /nfs/dbraw/zinc/58/17/48/857581748.db2.gz OUMMBYZJRXAAEB-PWSUYJOCSA-N 2 1 374.457 0.845 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246673662 857589297 /nfs/dbraw/zinc/58/92/97/857589297.db2.gz PFSHDBCWMHQFPT-AIEDFZFUSA-N 2 1 353.463 0.284 20 0 FCADMP CC(C)CN1C[C@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246692720 857590559 /nfs/dbraw/zinc/59/05/59/857590559.db2.gz IAWQWZBHOGQRTP-IXDOHACOSA-N 2 1 370.563 0.462 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC[NH2+]1 ZINC001246709496 857592637 /nfs/dbraw/zinc/59/26/37/857592637.db2.gz OTROUFKSZUSRJV-FGTAOJJYSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C[NH2+]1 ZINC001246729504 857593245 /nfs/dbraw/zinc/59/32/45/857593245.db2.gz ORBXSHRGPQMMCC-IAGOWNOFSA-N 3 1 351.539 0.297 20 0 FCADMP C[C@@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C[NH2+]1 ZINC001246729504 857593255 /nfs/dbraw/zinc/59/32/55/857593255.db2.gz ORBXSHRGPQMMCC-IAGOWNOFSA-N 3 1 351.539 0.297 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCN(C3(C)CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246812387 857601846 /nfs/dbraw/zinc/60/18/46/857601846.db2.gz ZPIYQBROGUFEDS-CVEARBPZSA-N 2 1 352.523 0.818 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CCN1 ZINC001246855580 857602862 /nfs/dbraw/zinc/60/28/62/857602862.db2.gz OMDPXIURODWZHM-LDDOYCOJSA-N 2 1 353.463 0.145 20 0 FCADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246945466 857606801 /nfs/dbraw/zinc/60/68/01/857606801.db2.gz YKRDHFWEALNNCK-GOSISDBHSA-N 3 1 368.591 0.858 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCC([NH+]3CCC([NH3+])CC3)CC2)C[NH2+]1 ZINC001246963192 857607577 /nfs/dbraw/zinc/60/75/77/857607577.db2.gz GVACNYBFOMWWIM-SJORKVTESA-N 3 1 352.523 0.946 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CN1 ZINC001247010940 857609747 /nfs/dbraw/zinc/60/97/47/857609747.db2.gz WWZHPJCDFUXBER-ILXRZTDVSA-N 2 1 353.463 0.145 20 0 FCADMP COc1ccc(OC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001252734062 857837122 /nfs/dbraw/zinc/83/71/22/857837122.db2.gz RZTQAJCOGYUGIT-OAHLLOKOSA-N 2 1 351.447 0.189 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253202487 857871505 /nfs/dbraw/zinc/87/15/05/857871505.db2.gz IWWJYXJPSDETNR-XUWVNRHRSA-N 2 1 357.495 0.913 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)N4CCOCC4)CC3)[C@@H]2C1 ZINC001279594450 862972070 /nfs/dbraw/zinc/97/20/70/862972070.db2.gz XIZXVTGDKZNNPB-HZPDHXFCSA-N 2 1 350.507 0.239 20 0 FCADMP C[N@H+]1CC[C@@H](N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255434277 858010672 /nfs/dbraw/zinc/01/06/72/858010672.db2.gz PJLHIZUZGFLXIZ-HLLBOEOZSA-N 2 1 357.520 0.786 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CCC[C@@H](C2)[NH+]3C)O1 ZINC001255677961 858028429 /nfs/dbraw/zinc/02/84/29/858028429.db2.gz RXRCSVJKDWNFJB-PQURQNOXSA-N 2 1 351.491 0.996 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)O1 ZINC001255677961 858028436 /nfs/dbraw/zinc/02/84/36/858028436.db2.gz RXRCSVJKDWNFJB-PQURQNOXSA-N 2 1 351.491 0.996 20 0 FCADMP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)O1 ZINC001255677961 858028441 /nfs/dbraw/zinc/02/84/41/858028441.db2.gz RXRCSVJKDWNFJB-PQURQNOXSA-N 2 1 351.491 0.996 20 0 FCADMP Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)[N@@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001279614770 862979395 /nfs/dbraw/zinc/97/93/95/862979395.db2.gz CUMLUHPREKVPPI-GJZGRUSLSA-N 2 1 353.492 0.115 20 0 FCADMP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CCC([NH+]3CCOCC3)CC2)O1 ZINC001256690587 858095458 /nfs/dbraw/zinc/09/54/58/858095458.db2.gz JBYQMWRHZIGAIX-ILEACXBISA-N 2 1 351.491 0.950 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC3(C2)C[NH+](CCC2CC[NH+](C)CC2)C3)c1 ZINC001279621005 862985051 /nfs/dbraw/zinc/98/50/51/862985051.db2.gz QRHBTPVLOZJHTE-UHFFFAOYSA-N 2 1 367.519 0.458 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC001257307579 858137796 /nfs/dbraw/zinc/13/77/96/858137796.db2.gz XFDGRKYJLFEZEK-HNNXBMFYSA-N 2 1 351.495 0.990 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261523198 858578739 /nfs/dbraw/zinc/57/87/39/858578739.db2.gz QEBJGELSPRVULI-FCEWJHQRSA-N 2 1 350.507 0.955 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NN3CC(=O)N(C)C3=O)CC2)CC1 ZINC001261551401 858590223 /nfs/dbraw/zinc/59/02/23/858590223.db2.gz IYOCXTHBDZMVLI-UHFFFAOYSA-N 2 1 351.451 0.108 20 0 FCADMP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046810 858765808 /nfs/dbraw/zinc/76/58/08/858765808.db2.gz ZEZZYAQWMYRVHC-MSOLQXFVSA-N 2 1 352.523 0.807 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591078 859013060 /nfs/dbraw/zinc/01/30/60/859013060.db2.gz FJDSPJJKMYEPTK-JKSUJKDBSA-N 2 1 354.495 0.291 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001263103725 859103278 /nfs/dbraw/zinc/10/32/78/859103278.db2.gz JSYNFHAHZAACER-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001264098568 859311042 /nfs/dbraw/zinc/31/10/42/859311042.db2.gz PEQDEIFMOUQXHH-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001264650188 859413561 /nfs/dbraw/zinc/41/35/61/859413561.db2.gz IGGYMXZBBXJONL-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001266592302 859484858 /nfs/dbraw/zinc/48/48/58/859484858.db2.gz OIBBMWGCSZLYAQ-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001266592302 859484863 /nfs/dbraw/zinc/48/48/63/859484863.db2.gz OIBBMWGCSZLYAQ-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001266592302 859484867 /nfs/dbraw/zinc/48/48/67/859484867.db2.gz OIBBMWGCSZLYAQ-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269991982 859624268 /nfs/dbraw/zinc/62/42/68/859624268.db2.gz DHUUUSSKBAXHAC-HRCADAONSA-N 2 1 353.511 0.940 20 0 FCADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H](C1)O2 ZINC001269991929 859624291 /nfs/dbraw/zinc/62/42/91/859624291.db2.gz CSHZEFZATHAXOI-HRCADAONSA-N 2 1 353.511 0.940 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCCC3)C2)C1=O ZINC001270165355 859673226 /nfs/dbraw/zinc/67/32/26/859673226.db2.gz HYNUNMOVHAYHSN-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489663 859770344 /nfs/dbraw/zinc/77/03/44/859770344.db2.gz IDHCUFDNLBAODA-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001271138351 859903657 /nfs/dbraw/zinc/90/36/57/859903657.db2.gz DDNRIKMIDMPPOT-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658692 859988513 /nfs/dbraw/zinc/98/85/13/859988513.db2.gz TZPVTWBFJPVMPD-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658691 859988801 /nfs/dbraw/zinc/98/88/01/859988801.db2.gz TZPVTWBFJPVMPD-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001272822603 860271831 /nfs/dbraw/zinc/27/18/31/860271831.db2.gz ZXPZISCNDAXOGL-LPHOPBHVSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001272825018 860273417 /nfs/dbraw/zinc/27/34/17/860273417.db2.gz JJUCBRMWQASVML-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001273312336 860446933 /nfs/dbraw/zinc/44/69/33/860446933.db2.gz DCDMLSVOMWXWPP-HOTGVXAUSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203365 860706818 /nfs/dbraw/zinc/70/68/18/860706818.db2.gz MKORWCJRZXYMLF-GOSISDBHSA-N 2 1 352.523 0.319 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203365 860706821 /nfs/dbraw/zinc/70/68/21/860706821.db2.gz MKORWCJRZXYMLF-GOSISDBHSA-N 2 1 352.523 0.319 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1)[NH+](C)C ZINC001275223014 860993363 /nfs/dbraw/zinc/99/33/63/860993363.db2.gz VJDNGUWGIVNKFG-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275557006 861128766 /nfs/dbraw/zinc/12/87/66/861128766.db2.gz RUNRVRYFPCFEBZ-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP O=C1N(CCN2CCOCC2)CC[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275736823 861180174 /nfs/dbraw/zinc/18/01/74/861180174.db2.gz HNMJGLMICXIAOH-IBGZPJMESA-N 2 1 350.507 0.243 20 0 FCADMP CC(C)(C)C(=O)OCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737408 861180887 /nfs/dbraw/zinc/18/08/87/861180887.db2.gz KIOULYBEIUDQPJ-UHFFFAOYSA-N 2 1 353.463 0.446 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275738232 861182400 /nfs/dbraw/zinc/18/24/00/861182400.db2.gz WJIMAWFPFQHKCM-DLBZAZTESA-N 2 1 358.433 0.039 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275738232 861182407 /nfs/dbraw/zinc/18/24/07/861182407.db2.gz WJIMAWFPFQHKCM-DLBZAZTESA-N 2 1 358.433 0.039 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914416 863134338 /nfs/dbraw/zinc/13/43/38/863134338.db2.gz QRLQLTRZKIEMIG-VQIMIIECSA-N 2 1 350.507 0.777 20 0 FCADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001280019895 863191338 /nfs/dbraw/zinc/19/13/38/863191338.db2.gz BJSYWKBQGWGBEI-UHFFFAOYSA-N 2 1 355.479 0.254 20 0 FCADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001280019895 863191344 /nfs/dbraw/zinc/19/13/44/863191344.db2.gz BJSYWKBQGWGBEI-UHFFFAOYSA-N 2 1 355.479 0.254 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](C[C@@H]4CCCOC4)C3)O2)CC1 ZINC001280135467 863286851 /nfs/dbraw/zinc/28/68/51/863286851.db2.gz IOKGEOLBADSGJF-DOTOQJQBSA-N 2 1 351.491 0.857 20 0 FCADMP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280176000 863308671 /nfs/dbraw/zinc/30/86/71/863308671.db2.gz HEPQWZMVMVHRQL-HOTGVXAUSA-N 2 1 354.564 0.814 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246458 863358254 /nfs/dbraw/zinc/35/82/54/863358254.db2.gz ZCPCMZMLMZTWPC-FQEVSTJZSA-N 3 1 351.583 0.973 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280246458 863358269 /nfs/dbraw/zinc/35/82/69/863358269.db2.gz ZCPCMZMLMZTWPC-FQEVSTJZSA-N 2 1 351.583 0.973 20 0 FCADMP CN1CCN(CCC[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280246458 863358281 /nfs/dbraw/zinc/35/82/81/863358281.db2.gz ZCPCMZMLMZTWPC-FQEVSTJZSA-N 2 1 351.583 0.973 20 0 FCADMP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259062 863366311 /nfs/dbraw/zinc/36/63/11/863366311.db2.gz VODKAOHTIQIKHI-TVFCKZIOSA-N 2 1 353.507 0.912 20 0 FCADMP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259062 863366319 /nfs/dbraw/zinc/36/63/19/863366319.db2.gz VODKAOHTIQIKHI-TVFCKZIOSA-N 2 1 353.507 0.912 20 0 FCADMP C[N@H+]1CCC[C@@H](CN2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262372 863368404 /nfs/dbraw/zinc/36/84/04/863368404.db2.gz ZIPQXBBRZROALX-HZPDHXFCSA-N 2 1 371.547 0.591 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21)[NH+](C)C ZINC001284176720 864544131 /nfs/dbraw/zinc/54/41/31/864544131.db2.gz SRKHRRZRLRADGK-ZBURPKILSA-N 2 1 350.507 0.486 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001296435886 865968156 /nfs/dbraw/zinc/96/81/56/865968156.db2.gz NLKJZEYMZNXAHC-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001351129562 866787601 /nfs/dbraw/zinc/78/76/01/866787601.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001351129562 866787614 /nfs/dbraw/zinc/78/76/14/866787614.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351129562 866787625 /nfs/dbraw/zinc/78/76/25/866787625.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC001351377026 866845032 /nfs/dbraw/zinc/84/50/32/866845032.db2.gz YKUPYWHDOMJDAJ-MHORFTMASA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@H+]1CC[Si](C)(C)CC[NH+]1C[C@@H](CO)OC[C@@H]1C ZINC001351377026 866845054 /nfs/dbraw/zinc/84/50/54/866845054.db2.gz YKUPYWHDOMJDAJ-MHORFTMASA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1CO[C@H](CO)C[N@@H+]1CC[Si](C)(C)CC[NH+]1C[C@@H](CO)OC[C@@H]1C ZINC001351377026 866845075 /nfs/dbraw/zinc/84/50/75/866845075.db2.gz YKUPYWHDOMJDAJ-MHORFTMASA-N 2 1 374.598 0.858 20 0 FCADMP [NH3+]C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCCCC1 ZINC001353612298 867455328 /nfs/dbraw/zinc/45/53/28/867455328.db2.gz AWUQGIVPWAUFQR-IRXDYDNUSA-N 2 1 350.507 0.955 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001353614448 867457217 /nfs/dbraw/zinc/45/72/17/867457217.db2.gz ZTYRIRCDILIWKC-GWCFXTLKSA-N 2 1 358.236 0.644 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(C)n1C ZINC001318832226 867760383 /nfs/dbraw/zinc/76/03/83/867760383.db2.gz AOUPIWNOZNLLRQ-OAHLLOKOSA-N 2 1 351.499 0.681 20 0 FCADMP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001356616925 868032956 /nfs/dbraw/zinc/03/29/56/868032956.db2.gz BDQKESWYVNLBJD-IEBWSBKVSA-N 2 1 350.459 0.604 20 0 FCADMP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001356616925 868032968 /nfs/dbraw/zinc/03/29/68/868032968.db2.gz BDQKESWYVNLBJD-IEBWSBKVSA-N 2 1 350.459 0.604 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320868584 868302923 /nfs/dbraw/zinc/30/29/23/868302923.db2.gz GAZYJSYWQKJZQU-CQSZACIVSA-N 2 1 350.467 0.183 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC001322519839 868842039 /nfs/dbraw/zinc/84/20/39/868842039.db2.gz HUBALMSRBLUZGF-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC001325137389 869791263 /nfs/dbraw/zinc/79/12/63/869791263.db2.gz RAVILBVFZPLGMR-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H](C)S(C)(=O)=O ZINC001326104500 870168211 /nfs/dbraw/zinc/16/82/11/870168211.db2.gz JYNODOZGFQQLBA-STQMWFEESA-N 2 1 354.476 0.841 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001343451275 870434006 /nfs/dbraw/zinc/43/40/06/870434006.db2.gz CTPVNKJKHZSQGA-MRXNPFEDSA-N 2 1 351.882 0.934 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001343896602 870653962 /nfs/dbraw/zinc/65/39/62/870653962.db2.gz FBWJNYUFQSABSD-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001343896602 870653968 /nfs/dbraw/zinc/65/39/68/870653968.db2.gz FBWJNYUFQSABSD-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001343896602 870653972 /nfs/dbraw/zinc/65/39/72/870653972.db2.gz FBWJNYUFQSABSD-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)COC(C)=O)CC2)CC1 ZINC001327633949 870984591 /nfs/dbraw/zinc/98/45/91/870984591.db2.gz CEOFHEIWODQSQX-MRXNPFEDSA-N 2 1 355.479 0.223 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592363 871530094 /nfs/dbraw/zinc/53/00/94/871530094.db2.gz SCPPQRLOTPKTFX-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001345964225 871578824 /nfs/dbraw/zinc/57/88/24/871578824.db2.gz CPCLXJGALBWRMY-BDXSIMOUSA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001345964225 871578840 /nfs/dbraw/zinc/57/88/40/871578840.db2.gz CPCLXJGALBWRMY-BDXSIMOUSA-N 2 1 352.523 0.628 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001345964225 871578849 /nfs/dbraw/zinc/57/88/49/871578849.db2.gz CPCLXJGALBWRMY-BDXSIMOUSA-N 2 1 352.523 0.628 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329023358 871780809 /nfs/dbraw/zinc/78/08/09/871780809.db2.gz KDSUYSNTIFYAMV-INIZCTEOSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606329 871928662 /nfs/dbraw/zinc/92/86/62/871928662.db2.gz KKTFQOMPHSDIPW-JYJNAYRXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346606329 871928678 /nfs/dbraw/zinc/92/86/78/871928678.db2.gz KKTFQOMPHSDIPW-JYJNAYRXSA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346606329 871928696 /nfs/dbraw/zinc/92/86/96/871928696.db2.gz KKTFQOMPHSDIPW-JYJNAYRXSA-N 2 1 355.527 0.107 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347335758 872281876 /nfs/dbraw/zinc/28/18/76/872281876.db2.gz NEYDPTNFQAKZGD-DOTOQJQBSA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001347335758 872281918 /nfs/dbraw/zinc/28/19/18/872281918.db2.gz NEYDPTNFQAKZGD-DOTOQJQBSA-N 2 1 355.527 0.421 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001347335758 872281939 /nfs/dbraw/zinc/28/19/39/872281939.db2.gz NEYDPTNFQAKZGD-DOTOQJQBSA-N 2 1 355.527 0.421 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001330237843 872538158 /nfs/dbraw/zinc/53/81/58/872538158.db2.gz ULDCRCPQJLDFBQ-HOTGVXAUSA-N 2 1 351.495 0.454 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001330237843 872538168 /nfs/dbraw/zinc/53/81/68/872538168.db2.gz ULDCRCPQJLDFBQ-HOTGVXAUSA-N 2 1 351.495 0.454 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001330237843 872538175 /nfs/dbraw/zinc/53/81/75/872538175.db2.gz ULDCRCPQJLDFBQ-HOTGVXAUSA-N 2 1 351.495 0.454 20 0 FCADMP CS(=O)(=O)c1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC001331885442 873291196 /nfs/dbraw/zinc/29/11/96/873291196.db2.gz QFLKRTQTAUYRNZ-UHFFFAOYSA-N 2 1 363.487 0.696 20 0 FCADMP CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001331904634 873298244 /nfs/dbraw/zinc/29/82/44/873298244.db2.gz HEQVSWGGXCPEPS-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574858 873563307 /nfs/dbraw/zinc/56/33/07/873563307.db2.gz WYIWEPVZGWFKSX-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001333360620 873922889 /nfs/dbraw/zinc/92/28/89/873922889.db2.gz LJUAPVKGTHRMMS-CABCVRRESA-N 2 1 352.479 0.086 20 0 FCADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926127 948988779 /nfs/dbraw/zinc/98/87/79/948988779.db2.gz JACNLQSTEZYNPC-ZDUSSCGKSA-N 2 1 357.462 0.945 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926849 949027021 /nfs/dbraw/zinc/02/70/21/949027021.db2.gz YTULKASEMVFJHW-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263582 949404499 /nfs/dbraw/zinc/40/44/99/949404499.db2.gz IEZSVGHHRLOWNO-DYVFJYSZSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717480 949739351 /nfs/dbraw/zinc/73/93/51/949739351.db2.gz WCNVCQFDCHAPHK-STQMWFEESA-N 2 1 358.450 0.284 20 0 FCADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C(C)C ZINC001574159617 950312258 /nfs/dbraw/zinc/31/22/58/950312258.db2.gz WSHDSVIVTFYIOU-AWEZNQCLSA-N 2 1 374.493 0.967 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199265 950418229 /nfs/dbraw/zinc/41/82/29/950418229.db2.gz YATITKUTTGKQOG-PBHICJAKSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203698 950448033 /nfs/dbraw/zinc/44/80/33/950448033.db2.gz IMQWERSEVMWCFF-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576204997 950486582 /nfs/dbraw/zinc/48/65/82/950486582.db2.gz FNHQLHORXIEXEQ-KBPBESRZSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204982 950488633 /nfs/dbraw/zinc/48/86/33/950488633.db2.gz FCKJVCWMTCPNBB-NWDGAFQWSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205665 950532248 /nfs/dbraw/zinc/53/22/48/950532248.db2.gz MFLLBBJSOFCTBN-AWEZNQCLSA-N 2 1 369.473 0.757 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207123 950590713 /nfs/dbraw/zinc/59/07/13/950590713.db2.gz CQHHOVIPFQGXFF-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207123 950590727 /nfs/dbraw/zinc/59/07/27/950590727.db2.gz CQHHOVIPFQGXFF-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576207123 950590735 /nfs/dbraw/zinc/59/07/35/950590735.db2.gz CQHHOVIPFQGXFF-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576209236 950625819 /nfs/dbraw/zinc/62/58/19/950625819.db2.gz ZSPAFPUMPKBQOL-UONOGXRCSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214271 950666523 /nfs/dbraw/zinc/66/65/23/950666523.db2.gz OEQZMADJEGBYRZ-JHJVBQTASA-N 2 1 356.434 0.085 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096143 951818674 /nfs/dbraw/zinc/81/86/74/951818674.db2.gz ZMQXDNXNKIHHTM-XJKSGUPXSA-N 2 1 357.462 0.803 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078157 952125831 /nfs/dbraw/zinc/12/58/31/952125831.db2.gz MNVCTSLMAJSFKE-ZDUSSCGKSA-N 2 1 370.461 0.489 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571105364 952394278 /nfs/dbraw/zinc/39/42/78/952394278.db2.gz OOEYAOOAJANEKJ-HUUCEWRRSA-N 2 1 373.436 0.648 20 0 FCADMP COc1cc(C[NH+](C)[C@@H]2COC[C@H]2O)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000293154135 214150601 /nfs/dbraw/zinc/15/06/01/214150601.db2.gz BXJJCNMVUPHXCS-NCXUSEDFSA-N 2 1 366.458 0.078 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961730 529797791 /nfs/dbraw/zinc/79/77/91/529797791.db2.gz IUSAIBMWFLCGDA-IDCNUPLLSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961730 529797792 /nfs/dbraw/zinc/79/77/92/529797792.db2.gz IUSAIBMWFLCGDA-IDCNUPLLSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961730 529797793 /nfs/dbraw/zinc/79/77/93/529797793.db2.gz IUSAIBMWFLCGDA-IDCNUPLLSA-N 2 1 360.502 0.624 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cc[nH+]1 ZINC000169232004 529813044 /nfs/dbraw/zinc/81/30/44/529813044.db2.gz OUDSYTXZTJPFDX-MRXNPFEDSA-N 2 1 354.458 0.761 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000410848228 529861197 /nfs/dbraw/zinc/86/11/97/529861197.db2.gz YGHUJNXJWXUAIQ-ZWKOTPCHSA-N 2 1 360.502 0.649 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410911178 529900915 /nfs/dbraw/zinc/90/09/15/529900915.db2.gz CHHOLOKTHBEGFV-INIZCTEOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410563756 529901024 /nfs/dbraw/zinc/90/10/24/529901024.db2.gz MTFFZNYFRASMQK-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP CNC(=O)N[C@@H]1CC[NH+](CCC(C)CC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000411541070 529888941 /nfs/dbraw/zinc/88/89/41/529888941.db2.gz HGCYLYCFWVHWCJ-HZPDHXFCSA-N 2 1 368.526 0.409 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000265509022 210153116 /nfs/dbraw/zinc/15/31/16/210153116.db2.gz FMDBYFAZRNMNMF-OAHLLOKOSA-N 2 1 363.462 0.643 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)(N2CCOCC2)CC1 ZINC000412461300 530049375 /nfs/dbraw/zinc/04/93/75/530049375.db2.gz IKBJQGDSSRVOHW-KRWDZBQOSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000331570984 215016862 /nfs/dbraw/zinc/01/68/62/215016862.db2.gz VLIMJDPUXYKLDY-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000331570984 215016865 /nfs/dbraw/zinc/01/68/65/215016865.db2.gz VLIMJDPUXYKLDY-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000331570984 215016868 /nfs/dbraw/zinc/01/68/68/215016868.db2.gz VLIMJDPUXYKLDY-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331572054 215017289 /nfs/dbraw/zinc/01/72/89/215017289.db2.gz LQFOVSTVXSTWNJ-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000331587418 215019661 /nfs/dbraw/zinc/01/96/61/215019661.db2.gz MQRUXMLNFVTKMW-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331587418 215019663 /nfs/dbraw/zinc/01/96/63/215019663.db2.gz MQRUXMLNFVTKMW-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000331587418 215019667 /nfs/dbraw/zinc/01/96/67/215019667.db2.gz MQRUXMLNFVTKMW-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000331587423 215020109 /nfs/dbraw/zinc/02/01/09/215020109.db2.gz MQRUXMLNFVTKMW-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000331587423 215020112 /nfs/dbraw/zinc/02/01/12/215020112.db2.gz MQRUXMLNFVTKMW-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000331587423 215020115 /nfs/dbraw/zinc/02/01/15/215020115.db2.gz MQRUXMLNFVTKMW-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000331600582 215021076 /nfs/dbraw/zinc/02/10/76/215021076.db2.gz OTJMSBORMHDGKF-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCCC1 ZINC000331692029 215035028 /nfs/dbraw/zinc/03/50/28/215035028.db2.gz VFHSQYPCGOKYPF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C[C@H]1[NH3+] ZINC000331776559 215046612 /nfs/dbraw/zinc/04/66/12/215046612.db2.gz JSYHUXABEQVAHF-YYIAUSFCSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000331797951 215048845 /nfs/dbraw/zinc/04/88/45/215048845.db2.gz LSFIGPBULVUKFZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000332006047 215078535 /nfs/dbraw/zinc/07/85/35/215078535.db2.gz CMYNJFSJHBBHKH-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000332006047 215078539 /nfs/dbraw/zinc/07/85/39/215078539.db2.gz CMYNJFSJHBBHKH-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332006047 215078542 /nfs/dbraw/zinc/07/85/42/215078542.db2.gz CMYNJFSJHBBHKH-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332006047 215078546 /nfs/dbraw/zinc/07/85/46/215078546.db2.gz CMYNJFSJHBBHKH-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000332016050 215079604 /nfs/dbraw/zinc/07/96/04/215079604.db2.gz UXIRKYLBGHMTGQ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000332016050 215079608 /nfs/dbraw/zinc/07/96/08/215079608.db2.gz UXIRKYLBGHMTGQ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332016050 215079611 /nfs/dbraw/zinc/07/96/11/215079611.db2.gz UXIRKYLBGHMTGQ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332016050 215079613 /nfs/dbraw/zinc/07/96/13/215079613.db2.gz UXIRKYLBGHMTGQ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332080138 215089222 /nfs/dbraw/zinc/08/92/22/215089222.db2.gz JFAXTDRJIQVBGE-SJORKVTESA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332080138 215089226 /nfs/dbraw/zinc/08/92/26/215089226.db2.gz JFAXTDRJIQVBGE-SJORKVTESA-N 2 1 373.501 0.980 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@H]2C1 ZINC000332063680 215085880 /nfs/dbraw/zinc/08/58/80/215085880.db2.gz RMYLHOSIMNXSBV-HIFRSBDPSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332080136 215088403 /nfs/dbraw/zinc/08/84/03/215088403.db2.gz JFAXTDRJIQVBGE-IAGOWNOFSA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332080136 215088408 /nfs/dbraw/zinc/08/84/08/215088408.db2.gz JFAXTDRJIQVBGE-IAGOWNOFSA-N 2 1 373.501 0.980 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1[NH+](C)C ZINC000332134936 215099470 /nfs/dbraw/zinc/09/94/70/215099470.db2.gz LTFFBBVNVICKRG-UXLLHSPISA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000332156686 215103455 /nfs/dbraw/zinc/10/34/55/215103455.db2.gz ONTXAVCTFFVVQK-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000332345563 215133591 /nfs/dbraw/zinc/13/35/91/215133591.db2.gz YCGXRHPOCYIJQK-LAVFITLUSA-N 2 1 358.486 0.881 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000332410623 215146591 /nfs/dbraw/zinc/14/65/91/215146591.db2.gz QXOOGAHMOOXEOR-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332405072 215146806 /nfs/dbraw/zinc/14/68/06/215146806.db2.gz OOPWTMZUFGTISV-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332405072 215146809 /nfs/dbraw/zinc/14/68/09/215146809.db2.gz OOPWTMZUFGTISV-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000332419359 215150044 /nfs/dbraw/zinc/15/00/44/215150044.db2.gz NIOYVVXPSCZEMY-IAGOWNOFSA-N 2 1 350.507 0.635 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000332525815 215169814 /nfs/dbraw/zinc/16/98/14/215169814.db2.gz NAYSCTRFTRHYNW-IRXDYDNUSA-N 2 1 365.522 0.700 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332624578 215192375 /nfs/dbraw/zinc/19/23/75/215192375.db2.gz RUYSBHZREWRLFJ-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1[NH+](C)C ZINC000333065669 215230632 /nfs/dbraw/zinc/23/06/32/215230632.db2.gz ADZJUHIYBDSELX-JKSUJKDBSA-N 2 1 354.495 0.459 20 0 FCADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000333065666 215230752 /nfs/dbraw/zinc/23/07/52/215230752.db2.gz ADZJUHIYBDSELX-CVEARBPZSA-N 2 1 354.495 0.459 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000333098035 215235414 /nfs/dbraw/zinc/23/54/14/215235414.db2.gz UTVOJPKERKOWPZ-UHFFFAOYSA-N 2 1 367.538 0.378 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333292860 215259967 /nfs/dbraw/zinc/25/99/67/215259967.db2.gz HZGDOMWHNNJAIT-IRXDYDNUSA-N 2 1 365.522 0.857 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333292860 215259969 /nfs/dbraw/zinc/25/99/69/215259969.db2.gz HZGDOMWHNNJAIT-IRXDYDNUSA-N 2 1 365.522 0.857 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000333359550 215269730 /nfs/dbraw/zinc/26/97/30/215269730.db2.gz CQLGCUVGTBMPKF-HUUCEWRRSA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000333359550 215269733 /nfs/dbraw/zinc/26/97/33/215269733.db2.gz CQLGCUVGTBMPKF-HUUCEWRRSA-N 2 1 357.520 0.486 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333365521 215270780 /nfs/dbraw/zinc/27/07/80/215270780.db2.gz LSPWOMFAVAWEHW-YESZJQIVSA-N 2 1 358.490 0.453 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000333439688 215281991 /nfs/dbraw/zinc/28/19/91/215281991.db2.gz VWWZJIWOPOIMHI-PBHICJAKSA-N 2 1 369.535 0.030 20 0 FCADMP C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000333545186 215294088 /nfs/dbraw/zinc/29/40/88/215294088.db2.gz JROQQZLCCPRNJI-HOTGVXAUSA-N 2 1 354.495 0.637 20 0 FCADMP C[C@H](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000333605523 215301269 /nfs/dbraw/zinc/30/12/69/215301269.db2.gz PZPXCYFOLQEMQZ-SJORKVTESA-N 2 1 365.522 0.857 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000333643543 215304774 /nfs/dbraw/zinc/30/47/74/215304774.db2.gz IRFZFDATXSGJMT-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@@H+]1C1CC1 ZINC000333653431 215305289 /nfs/dbraw/zinc/30/52/89/215305289.db2.gz VGEIEDAOYVWMRV-HOTGVXAUSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[N@H+]1C1CC1 ZINC000333653431 215305291 /nfs/dbraw/zinc/30/52/91/215305291.db2.gz VGEIEDAOYVWMRV-HOTGVXAUSA-N 2 1 366.506 0.792 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000333664300 215306672 /nfs/dbraw/zinc/30/66/72/215306672.db2.gz BMTINEUZPAHQIN-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000333664300 215306675 /nfs/dbraw/zinc/30/66/75/215306675.db2.gz BMTINEUZPAHQIN-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000333664300 215306679 /nfs/dbraw/zinc/30/66/79/215306679.db2.gz BMTINEUZPAHQIN-HZMVEIRTSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333669708 215307709 /nfs/dbraw/zinc/30/77/09/215307709.db2.gz MWQRDVKGKASGDA-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000333686007 215309237 /nfs/dbraw/zinc/30/92/37/215309237.db2.gz PGMYPCRIQYIAAV-IRXDYDNUSA-N 2 1 353.511 0.175 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333765818 215317845 /nfs/dbraw/zinc/31/78/45/215317845.db2.gz QGDGIMGLEDRJOF-DLBZAZTESA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333765818 215317848 /nfs/dbraw/zinc/31/78/48/215317848.db2.gz QGDGIMGLEDRJOF-DLBZAZTESA-N 2 1 366.506 0.794 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C1 ZINC000333791945 215319690 /nfs/dbraw/zinc/31/96/90/215319690.db2.gz MOCMEQFWMIOLJA-QGZVFWFLSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333902307 215329603 /nfs/dbraw/zinc/32/96/03/215329603.db2.gz ZLRGVJDBQNUDLM-HOCLYGCPSA-N 2 1 351.495 0.513 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000333933071 215332197 /nfs/dbraw/zinc/33/21/97/215332197.db2.gz HLIFMPOSQYZSQW-HOTGVXAUSA-N 2 1 351.495 0.182 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000333951128 215333247 /nfs/dbraw/zinc/33/32/47/215333247.db2.gz YQUVQIFEWZRZSN-IRXDYDNUSA-N 2 1 365.522 0.714 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000334131784 215347978 /nfs/dbraw/zinc/34/79/78/215347978.db2.gz UXGBWVXIUCPCSI-UHFFFAOYSA-N 2 1 367.538 0.520 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000334117804 215345972 /nfs/dbraw/zinc/34/59/72/215345972.db2.gz IQVAZELIBRUGJA-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000334117803 215346354 /nfs/dbraw/zinc/34/63/54/215346354.db2.gz IQVAZELIBRUGJA-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360572507 215364652 /nfs/dbraw/zinc/36/46/52/215364652.db2.gz LWXHLKGFXNYGIH-LSDHHAIUSA-N 2 1 367.494 0.927 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360572505 215365942 /nfs/dbraw/zinc/36/59/42/215365942.db2.gz LWXHLKGFXNYGIH-GJZGRUSLSA-N 2 1 367.494 0.927 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCC(C)CC1 ZINC000285586702 213362939 /nfs/dbraw/zinc/36/29/39/213362939.db2.gz AKTZSBPKTYGZNC-AWEZNQCLSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000285168391 213295151 /nfs/dbraw/zinc/29/51/51/213295151.db2.gz UUHQKQGEPKLSBO-HNNXBMFYSA-N 2 1 373.501 0.934 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284989801 213261563 /nfs/dbraw/zinc/26/15/63/213261563.db2.gz SRYNCYPKVHNCKY-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000284427663 213136722 /nfs/dbraw/zinc/13/67/22/213136722.db2.gz CTTAYIOJRDSTOT-UHFFFAOYSA-N 2 1 374.489 0.389 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000284427663 213136724 /nfs/dbraw/zinc/13/67/24/213136724.db2.gz CTTAYIOJRDSTOT-UHFFFAOYSA-N 2 1 374.489 0.389 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284074180 213068225 /nfs/dbraw/zinc/06/82/25/213068225.db2.gz RYLNZMBKQBNQNI-UHFFFAOYSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284074180 213068228 /nfs/dbraw/zinc/06/82/28/213068228.db2.gz RYLNZMBKQBNQNI-UHFFFAOYSA-N 2 1 370.497 0.904 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000284050283 213062940 /nfs/dbraw/zinc/06/29/40/213062940.db2.gz KFFSROSDLYCUJN-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000283959808 213042675 /nfs/dbraw/zinc/04/26/75/213042675.db2.gz HZZHGISBPLISRI-UHFFFAOYSA-N 2 1 357.458 0.946 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000283959808 213042678 /nfs/dbraw/zinc/04/26/78/213042678.db2.gz HZZHGISBPLISRI-UHFFFAOYSA-N 2 1 357.458 0.946 20 0 FCADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893159 213029514 /nfs/dbraw/zinc/02/95/14/213029514.db2.gz CUSOLYGSDPDXEI-LPHOPBHVSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000283893159 213029516 /nfs/dbraw/zinc/02/95/16/213029516.db2.gz CUSOLYGSDPDXEI-LPHOPBHVSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283893159 213029517 /nfs/dbraw/zinc/02/95/17/213029517.db2.gz CUSOLYGSDPDXEI-LPHOPBHVSA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283893159 213029521 /nfs/dbraw/zinc/02/95/21/213029521.db2.gz CUSOLYGSDPDXEI-LPHOPBHVSA-N 2 1 372.513 0.960 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908199 237098227 /nfs/dbraw/zinc/09/82/27/237098227.db2.gz HQUGLJXHSSCGOV-WNHJNPCNSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908199 237098234 /nfs/dbraw/zinc/09/82/34/237098234.db2.gz HQUGLJXHSSCGOV-WNHJNPCNSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411908199 237098245 /nfs/dbraw/zinc/09/82/45/237098245.db2.gz HQUGLJXHSSCGOV-WNHJNPCNSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411908199 237098252 /nfs/dbraw/zinc/09/82/52/237098252.db2.gz HQUGLJXHSSCGOV-WNHJNPCNSA-N 2 1 361.486 0.847 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)CC1 ZINC000366685782 216015138 /nfs/dbraw/zinc/01/51/38/216015138.db2.gz UHYOOERFMQNEIM-YLJYHZDGSA-N 2 1 362.518 0.779 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000413365764 237319691 /nfs/dbraw/zinc/31/96/91/237319691.db2.gz VBKLBGUDXIPKIU-OAHLLOKOSA-N 2 1 358.527 0.951 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230910 216094379 /nfs/dbraw/zinc/09/43/79/216094379.db2.gz LFEPFYDXPKGENH-SWLSCSKDSA-N 2 1 365.396 0.966 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261953841 209503109 /nfs/dbraw/zinc/50/31/09/209503109.db2.gz ZLCYUEKYIBTYFV-HUUCEWRRSA-N 2 1 367.494 0.048 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261953841 209503117 /nfs/dbraw/zinc/50/31/17/209503117.db2.gz ZLCYUEKYIBTYFV-HUUCEWRRSA-N 2 1 367.494 0.048 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000367752103 216157676 /nfs/dbraw/zinc/15/76/76/216157676.db2.gz PLYRUCDCQUHXMF-HOCLYGCPSA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@H+](C)C3)n2)C1 ZINC000246396475 209385025 /nfs/dbraw/zinc/38/50/25/209385025.db2.gz OUHBDUSMRZCRFJ-HUUCEWRRSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000246768416 209399457 /nfs/dbraw/zinc/39/94/57/209399457.db2.gz HZRHPKAUHSWLHJ-BBWFWOEESA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC1=O ZINC000246534051 209390920 /nfs/dbraw/zinc/39/09/20/209390920.db2.gz WWYUECQBMLDLPH-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)N1CCOCC1 ZINC000245904825 209376926 /nfs/dbraw/zinc/37/69/26/209376926.db2.gz SWRBNDVHUHVADF-ULQDDVLXSA-N 2 1 356.511 0.440 20 0 FCADMP C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000245892633 209376070 /nfs/dbraw/zinc/37/60/70/209376070.db2.gz OSYJMGLISNNTEC-BHIYHBOVSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000245892633 209376074 /nfs/dbraw/zinc/37/60/74/209376074.db2.gz OSYJMGLISNNTEC-BHIYHBOVSA-N 2 1 360.502 0.374 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000194931180 209329861 /nfs/dbraw/zinc/32/98/61/209329861.db2.gz QRHWGIIAGWWUTO-GASCZTMLSA-N 2 1 374.489 0.498 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190214375 209268713 /nfs/dbraw/zinc/26/87/13/209268713.db2.gz OFZNFEGQMIJBPP-AWEZNQCLSA-N 2 1 352.483 0.754 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000369389147 216394340 /nfs/dbraw/zinc/39/43/40/216394340.db2.gz LVQKOALEOXLXMB-KZNAEPCWSA-N 2 1 352.523 0.723 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000369389147 216394344 /nfs/dbraw/zinc/39/43/44/216394344.db2.gz LVQKOALEOXLXMB-KZNAEPCWSA-N 2 1 352.523 0.723 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000189927317 209263258 /nfs/dbraw/zinc/26/32/58/209263258.db2.gz OVCNHBQWOKXRRH-SCTDSRPQSA-N 2 1 362.518 0.792 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000369479641 216411888 /nfs/dbraw/zinc/41/18/88/216411888.db2.gz BGHXRJILGQFEEW-WBVHZDCISA-N 2 1 354.495 0.507 20 0 FCADMP C[C@H]1CN(C(=O)NCCN2CCOCC2(C)C)CCN1CC(C)(C)O ZINC000188503302 209231465 /nfs/dbraw/zinc/23/14/65/209231465.db2.gz AHARIPWMNAGHRQ-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188325879 209228654 /nfs/dbraw/zinc/22/86/54/209228654.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 1 363.502 0.248 20 0 FCADMP CN(C[C@@H](O)CN1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188325879 209228658 /nfs/dbraw/zinc/22/86/58/209228658.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 1 363.502 0.248 20 0 FCADMP CN(C[C@@H](O)CN1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188325879 209228661 /nfs/dbraw/zinc/22/86/61/209228661.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 1 363.502 0.248 20 0 FCADMP CN(Cc1cc(=O)n(C)c(=O)n1C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188287901 209228494 /nfs/dbraw/zinc/22/84/94/209228494.db2.gz TYBRTIDLOAUNKP-FQEVSTJZSA-N 2 1 372.469 0.153 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000188358176 209227726 /nfs/dbraw/zinc/22/77/26/209227726.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000188358176 209227731 /nfs/dbraw/zinc/22/77/31/209227731.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 1 356.511 0.584 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000187411581 209213568 /nfs/dbraw/zinc/21/35/68/209213568.db2.gz OQMSSFPZZNVNOG-SFHVURJKSA-N 2 1 364.490 0.367 20 0 FCADMP CC[NH+](CCO)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000187411581 209213572 /nfs/dbraw/zinc/21/35/72/209213572.db2.gz OQMSSFPZZNVNOG-SFHVURJKSA-N 2 1 364.490 0.367 20 0 FCADMP CC[NH+](CCO)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000187411581 209213575 /nfs/dbraw/zinc/21/35/75/209213575.db2.gz OQMSSFPZZNVNOG-SFHVURJKSA-N 2 1 364.490 0.367 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000187169358 209207503 /nfs/dbraw/zinc/20/75/03/209207503.db2.gz QWCKFOATWNAFFI-UHFFFAOYSA-N 2 1 361.490 0.835 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000187173978 209207564 /nfs/dbraw/zinc/20/75/64/209207564.db2.gz WBROUGVIWBGUAH-MRXNPFEDSA-N 2 1 373.501 0.835 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000187191981 209205591 /nfs/dbraw/zinc/20/55/91/209205591.db2.gz OBUQEHPDWFAYNV-DLBZAZTESA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000187191981 209205595 /nfs/dbraw/zinc/20/55/95/209205595.db2.gz OBUQEHPDWFAYNV-DLBZAZTESA-N 2 1 370.538 0.830 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000187191981 209205600 /nfs/dbraw/zinc/20/56/00/209205600.db2.gz OBUQEHPDWFAYNV-DLBZAZTESA-N 2 1 370.538 0.830 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275572217 212053856 /nfs/dbraw/zinc/05/38/56/212053856.db2.gz ICUPLPKFFXWMCM-UHFFFAOYSA-N 2 1 364.490 0.814 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275548754 212049017 /nfs/dbraw/zinc/04/90/17/212049017.db2.gz DZDSCGYYSSVGAN-RBUKOAKNSA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275548754 212049021 /nfs/dbraw/zinc/04/90/21/212049021.db2.gz DZDSCGYYSSVGAN-RBUKOAKNSA-N 2 1 374.533 0.791 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275548754 212049024 /nfs/dbraw/zinc/04/90/24/212049024.db2.gz DZDSCGYYSSVGAN-RBUKOAKNSA-N 2 1 374.533 0.791 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487489 674117281 /nfs/dbraw/zinc/11/72/81/674117281.db2.gz CDBZWVIRKZDFKJ-CABCVRRESA-N 2 1 354.495 0.779 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000414866636 245326373 /nfs/dbraw/zinc/32/63/73/245326373.db2.gz FSSILVIFCSEKBR-HNNXBMFYSA-N 2 1 362.474 0.819 20 0 FCADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000414981715 245339591 /nfs/dbraw/zinc/33/95/91/245339591.db2.gz RCESGYSFAIDBDW-OAHLLOKOSA-N 2 1 351.447 0.760 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[N@@H+]1C ZINC000415180246 245356724 /nfs/dbraw/zinc/35/67/24/245356724.db2.gz WNRAQIZDUOJDEC-RHSMWYFYSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[N@H+]1C ZINC000415180246 245356733 /nfs/dbraw/zinc/35/67/33/245356733.db2.gz WNRAQIZDUOJDEC-RHSMWYFYSA-N 2 1 359.474 0.635 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000414959159 245338469 /nfs/dbraw/zinc/33/84/69/245338469.db2.gz XBJMHRMLZBREKG-HNNXBMFYSA-N 2 1 360.458 0.525 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415244209 245369275 /nfs/dbraw/zinc/36/92/75/245369275.db2.gz MOTCHHFILZQVFC-IBGZPJMESA-N 2 1 360.458 0.907 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000415256544 245370035 /nfs/dbraw/zinc/37/00/35/245370035.db2.gz ACEZKRNMIOXVNM-KRWDZBQOSA-N 2 1 360.458 0.714 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000415256544 245370043 /nfs/dbraw/zinc/37/00/43/245370043.db2.gz ACEZKRNMIOXVNM-KRWDZBQOSA-N 2 1 360.458 0.714 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+](C2CC2)C1 ZINC000415258762 245370330 /nfs/dbraw/zinc/37/03/30/245370330.db2.gz SLAACEYUQZHOIN-CQSZACIVSA-N 2 1 360.458 0.905 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000415260573 245372289 /nfs/dbraw/zinc/37/22/89/245372289.db2.gz XENMILUCXWVQMZ-ZFWWWQNUSA-N 2 1 359.474 0.779 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415269980 245374467 /nfs/dbraw/zinc/37/44/67/245374467.db2.gz MFONGFNVLBPWOF-INIZCTEOSA-N 2 1 360.458 0.450 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415269983 245373764 /nfs/dbraw/zinc/37/37/64/245373764.db2.gz MFONGFNVLBPWOF-MRXNPFEDSA-N 2 1 360.458 0.450 20 0 FCADMP COC(=O)c1cn([C@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000374299316 217116519 /nfs/dbraw/zinc/11/65/19/217116519.db2.gz AKMUTPOEDFSJGV-INIZCTEOSA-N 2 1 364.494 0.728 20 0 FCADMP C[C@H](NC(N)=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374198065 217107779 /nfs/dbraw/zinc/10/77/79/217107779.db2.gz GPPNVRVUEWGMCH-AWEZNQCLSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000415678968 245461430 /nfs/dbraw/zinc/46/14/30/245461430.db2.gz XRMJRWCCZLPZQO-OIISXLGYSA-N 2 1 372.469 0.696 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907348 217333856 /nfs/dbraw/zinc/33/38/56/217333856.db2.gz RQCLQKZCJORTFP-HZPDHXFCSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907348 217333860 /nfs/dbraw/zinc/33/38/60/217333860.db2.gz RQCLQKZCJORTFP-HZPDHXFCSA-N 2 1 353.511 0.709 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000417847212 245730839 /nfs/dbraw/zinc/73/08/39/245730839.db2.gz AGUDAUYCKRPGNN-YCPHGPKFSA-N 2 1 351.495 0.641 20 0 FCADMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000376231703 217372795 /nfs/dbraw/zinc/37/27/95/217372795.db2.gz JKFGBLNYSBXQPC-KURKYZTESA-N 2 1 352.523 0.724 20 0 FCADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000376231703 217372799 /nfs/dbraw/zinc/37/27/99/217372799.db2.gz JKFGBLNYSBXQPC-KURKYZTESA-N 2 1 352.523 0.724 20 0 FCADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376323536 217384470 /nfs/dbraw/zinc/38/44/70/217384470.db2.gz QLPMVHNOININRC-DOTOQJQBSA-N 2 1 365.522 0.807 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162347 246025539 /nfs/dbraw/zinc/02/55/39/246025539.db2.gz GZYNPTSGSNLZPA-ROUUACIJSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419133034 246006674 /nfs/dbraw/zinc/00/66/74/246006674.db2.gz IHDRNMKDKYZFHV-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144337 246012688 /nfs/dbraw/zinc/01/26/88/246012688.db2.gz GRXIIPUANJIJBN-LSDHHAIUSA-N 2 1 364.515 0.945 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419149041 246017361 /nfs/dbraw/zinc/01/73/61/246017361.db2.gz DTCTZQBZHQUISG-ZIFCJYIRSA-N 2 1 372.513 0.876 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419162348 246026994 /nfs/dbraw/zinc/02/69/94/246026994.db2.gz GZYNPTSGSNLZPA-ZWKOTPCHSA-N 2 1 374.485 0.343 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419166134 246029255 /nfs/dbraw/zinc/02/92/55/246029255.db2.gz ONPAHIFOOLZWJD-ZWKOTPCHSA-N 2 1 374.485 0.247 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419175985 246034589 /nfs/dbraw/zinc/03/45/89/246034589.db2.gz YLFNHNOVGOVMSE-IXDOHACOSA-N 2 1 368.522 0.722 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CCC(F)(F)F ZINC000419207057 246055890 /nfs/dbraw/zinc/05/58/90/246055890.db2.gz LWPBAJVOJOBNLB-VXGBXAGGSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CCC(F)(F)F ZINC000419207057 246055893 /nfs/dbraw/zinc/05/58/93/246055893.db2.gz LWPBAJVOJOBNLB-VXGBXAGGSA-N 2 1 352.401 0.573 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419212221 246056254 /nfs/dbraw/zinc/05/62/54/246056254.db2.gz UKKVFGZNOLBSAN-GHTZIAJQSA-N 2 1 370.497 0.979 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419211061 246057435 /nfs/dbraw/zinc/05/74/35/246057435.db2.gz YRPXAGZQMMWDDA-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000419213904 246058491 /nfs/dbraw/zinc/05/84/91/246058491.db2.gz WZUVIMFWTYJVCC-QZTJIDSGSA-N 2 1 374.485 0.343 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419216237 246059410 /nfs/dbraw/zinc/05/94/10/246059410.db2.gz ZZRRVPFCLZHXTF-JZXOWHBKSA-N 2 1 358.486 0.976 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000419216259 246059618 /nfs/dbraw/zinc/05/96/18/246059618.db2.gz BEARVMNFSMQEKZ-MOPGFXCFSA-N 2 1 370.497 0.956 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223468 246062083 /nfs/dbraw/zinc/06/20/83/246062083.db2.gz DAMBXHVHIMUISW-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419222306 246062557 /nfs/dbraw/zinc/06/25/57/246062557.db2.gz BMVLPABTBAUPOS-FHLIZLRMSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419226222 246063647 /nfs/dbraw/zinc/06/36/47/246063647.db2.gz DFIZSMOFXXFPMB-INIZCTEOSA-N 2 1 370.497 0.975 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419226222 246063650 /nfs/dbraw/zinc/06/36/50/246063650.db2.gz DFIZSMOFXXFPMB-INIZCTEOSA-N 2 1 370.497 0.975 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419227346 246064616 /nfs/dbraw/zinc/06/46/16/246064616.db2.gz FRKVCPMMCQNZMW-XHSDSOJGSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419227346 246064624 /nfs/dbraw/zinc/06/46/24/246064624.db2.gz FRKVCPMMCQNZMW-XHSDSOJGSA-N 2 1 358.486 0.758 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229634 246066946 /nfs/dbraw/zinc/06/69/46/246066946.db2.gz PBMDQZBLCDRWJR-DOTOQJQBSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419208382 246053972 /nfs/dbraw/zinc/05/39/72/246053972.db2.gz ADUNUXAHSMSJAI-ZDUSSCGKSA-N 2 1 352.504 0.727 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419208382 246053976 /nfs/dbraw/zinc/05/39/76/246053976.db2.gz ADUNUXAHSMSJAI-ZDUSSCGKSA-N 2 1 352.504 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419229853 246068949 /nfs/dbraw/zinc/06/89/49/246068949.db2.gz IINSDQOVJMDVCA-HOTGVXAUSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419229853 246068954 /nfs/dbraw/zinc/06/89/54/246068954.db2.gz IINSDQOVJMDVCA-HOTGVXAUSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419230859 246069077 /nfs/dbraw/zinc/06/90/77/246069077.db2.gz JBGUUPIYTZOGPJ-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419230859 246069084 /nfs/dbraw/zinc/06/90/84/246069084.db2.gz JBGUUPIYTZOGPJ-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419228491 246069384 /nfs/dbraw/zinc/06/93/84/246069384.db2.gz GTCOTBYFMWBQGJ-MAUKXSAKSA-N 2 1 374.485 0.044 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419228491 246069390 /nfs/dbraw/zinc/06/93/90/246069390.db2.gz GTCOTBYFMWBQGJ-MAUKXSAKSA-N 2 1 374.485 0.044 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419231770 246071760 /nfs/dbraw/zinc/07/17/60/246071760.db2.gz SFOQOORUBSNEGL-USXIJHARSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419231768 246072276 /nfs/dbraw/zinc/07/22/76/246072276.db2.gz SFOQOORUBSNEGL-UAGQMJEPSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419240280 246072996 /nfs/dbraw/zinc/07/29/96/246072996.db2.gz REGPOICWQDHKLZ-OAHLLOKOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419240280 246073005 /nfs/dbraw/zinc/07/30/05/246073005.db2.gz REGPOICWQDHKLZ-OAHLLOKOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419243500 246073789 /nfs/dbraw/zinc/07/37/89/246073789.db2.gz UHXFLGFCGTVQBT-HZPDHXFCSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419243500 246073793 /nfs/dbraw/zinc/07/37/93/246073793.db2.gz UHXFLGFCGTVQBT-HZPDHXFCSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419247520 246077087 /nfs/dbraw/zinc/07/70/87/246077087.db2.gz NLTLDZUOIHUDMK-ATLSCFEFSA-N 2 1 358.486 0.737 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419267242 246081728 /nfs/dbraw/zinc/08/17/28/246081728.db2.gz IQPYDSWDPPRDOJ-ROUUACIJSA-N 2 1 374.485 0.521 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317682 246097532 /nfs/dbraw/zinc/09/75/32/246097532.db2.gz MZYNYDQBUPMOAC-LFVTVUPYSA-N 2 1 356.470 0.681 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419324836 246099776 /nfs/dbraw/zinc/09/97/76/246099776.db2.gz WDHUFCYGLPPZGJ-MHRLRVJTSA-N 2 1 374.460 0.820 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)[nH+]c1 ZINC000419301351 246090781 /nfs/dbraw/zinc/09/07/81/246090781.db2.gz NPDRVVLKADJOOF-INIZCTEOSA-N 2 1 359.474 0.733 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000419354653 246113636 /nfs/dbraw/zinc/11/36/36/246113636.db2.gz MGIUWPGDCHVMIG-ZBFHGGJFSA-N 2 1 362.474 0.802 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419351585 246114344 /nfs/dbraw/zinc/11/43/44/246114344.db2.gz HQPHBZWNMUOGPO-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000419416043 246148866 /nfs/dbraw/zinc/14/88/66/246148866.db2.gz VRUNYJLFWLNGDE-ZNMIVQPWSA-N 2 1 368.503 0.432 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419415678 246149593 /nfs/dbraw/zinc/14/95/93/246149593.db2.gz GEQNVEJGUIGSMQ-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399328 246134842 /nfs/dbraw/zinc/13/48/42/246134842.db2.gz YSGSZWQNQRRRMZ-WMZOPIPTSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399328 246134847 /nfs/dbraw/zinc/13/48/47/246134847.db2.gz YSGSZWQNQRRRMZ-WMZOPIPTSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419401000 246135251 /nfs/dbraw/zinc/13/52/51/246135251.db2.gz ABPAGAKGEPRDDG-XUWVNRHRSA-N 2 1 368.522 0.700 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419398150 246135748 /nfs/dbraw/zinc/13/57/48/246135748.db2.gz WNWCOJCWYMJQJY-UHFFFAOYSA-N 2 1 370.497 0.763 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419398150 246135751 /nfs/dbraw/zinc/13/57/51/246135751.db2.gz WNWCOJCWYMJQJY-UHFFFAOYSA-N 2 1 370.497 0.763 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402359 246136728 /nfs/dbraw/zinc/13/67/28/246136728.db2.gz CHTYJBZIGGTYLC-GOEBONIOSA-N 2 1 368.522 0.986 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419403201 246136750 /nfs/dbraw/zinc/13/67/50/246136750.db2.gz CWZCNESUCIYPRL-MSOLQXFVSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000419407882 246140919 /nfs/dbraw/zinc/14/09/19/246140919.db2.gz LKNDJJHKDVEVJU-SFHVURJKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407734 246141165 /nfs/dbraw/zinc/14/11/65/246141165.db2.gz YUUGYHZXZCLJQE-RYQLBKOJSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419409266 246141943 /nfs/dbraw/zinc/14/19/43/246141943.db2.gz MVPIKPUQUKMTEW-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419449477 246168864 /nfs/dbraw/zinc/16/88/64/246168864.db2.gz JYTPKVWTQTXPKA-OAHLLOKOSA-N 2 1 361.490 0.167 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419503269 246182855 /nfs/dbraw/zinc/18/28/55/246182855.db2.gz CWRBGFVUDHCSGZ-RXVVDRJESA-N 2 1 370.497 0.837 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501444 246183968 /nfs/dbraw/zinc/18/39/68/246183968.db2.gz DRPZYCFKVYAAMS-IRXDYDNUSA-N 2 1 373.501 0.121 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000419510055 246185726 /nfs/dbraw/zinc/18/57/26/246185726.db2.gz GMQCJQSDBZUCIZ-LSDHHAIUSA-N 2 1 350.463 0.941 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512937 246188569 /nfs/dbraw/zinc/18/85/69/246188569.db2.gz YHESPEVDCGCCFM-MRXNPFEDSA-N 2 1 361.490 0.039 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419528549 246192208 /nfs/dbraw/zinc/19/22/08/246192208.db2.gz WJNGNIVPFJJXMB-UAGQMJEPSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419486740 246179562 /nfs/dbraw/zinc/17/95/62/246179562.db2.gz ABMTWONGGWCIKF-HZPDHXFCSA-N 2 1 361.490 0.167 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000419528058 246193666 /nfs/dbraw/zinc/19/36/66/246193666.db2.gz VYEXRATZWJCTTF-IRXDYDNUSA-N 2 1 366.506 0.332 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419536239 246194966 /nfs/dbraw/zinc/19/49/66/246194966.db2.gz UIXQWYZSURTOFZ-SZMVWBNQSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419532194 246195699 /nfs/dbraw/zinc/19/56/99/246195699.db2.gz MSHXZVIGIFNCIQ-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@H+]1C ZINC000419560567 246202122 /nfs/dbraw/zinc/20/21/22/246202122.db2.gz RGJDGLYDUZNOIH-GPPPIRTASA-N 2 1 362.518 0.855 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419703495 246259268 /nfs/dbraw/zinc/25/92/68/246259268.db2.gz DILMIXAIWMEDDX-RYRKJORJSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000419802422 246302236 /nfs/dbraw/zinc/30/22/36/246302236.db2.gz BDFBFPABYXWQIZ-RKVPGOIHSA-N 2 1 374.485 0.390 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419819679 246305539 /nfs/dbraw/zinc/30/55/39/246305539.db2.gz NHSBUUAPSPZSHK-MRXNPFEDSA-N 2 1 360.458 0.959 20 0 FCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419721198 246270810 /nfs/dbraw/zinc/27/08/10/246270810.db2.gz GKJCQSBTNCTNJA-INIZCTEOSA-N 2 1 366.506 0.476 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419872782 246340631 /nfs/dbraw/zinc/34/06/31/246340631.db2.gz FKGSOHFPCHWHDM-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419827824 246308532 /nfs/dbraw/zinc/30/85/32/246308532.db2.gz RNFNIFQEQDFXOT-GASCZTMLSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419827824 246308537 /nfs/dbraw/zinc/30/85/37/246308537.db2.gz RNFNIFQEQDFXOT-GASCZTMLSA-N 2 1 362.474 0.248 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419829364 246309597 /nfs/dbraw/zinc/30/95/97/246309597.db2.gz PRSODWHDZVFDMY-RDJZCZTQSA-N 2 1 367.538 0.010 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419832238 246309870 /nfs/dbraw/zinc/30/98/70/246309870.db2.gz VOQBURQKQAKFGC-MPGHIAIKSA-N 2 1 374.485 0.472 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000419850372 246320558 /nfs/dbraw/zinc/32/05/58/246320558.db2.gz FZFQNXHNDBGXRY-BFYDXBDKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419848808 246320983 /nfs/dbraw/zinc/32/09/83/246320983.db2.gz XDPBAOASIJIKKY-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419848808 246320988 /nfs/dbraw/zinc/32/09/88/246320988.db2.gz XDPBAOASIJIKKY-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864403 246331841 /nfs/dbraw/zinc/33/18/41/246331841.db2.gz ISFJCGIQUNXLIO-QGZVFWFLSA-N 2 1 367.538 0.169 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419933627 246375279 /nfs/dbraw/zinc/37/52/79/246375279.db2.gz FKFOOMZGUWDEHC-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419933627 246375283 /nfs/dbraw/zinc/37/52/83/246375283.db2.gz FKFOOMZGUWDEHC-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419933623 246376028 /nfs/dbraw/zinc/37/60/28/246376028.db2.gz FKFOOMZGUWDEHC-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419933623 246376038 /nfs/dbraw/zinc/37/60/38/246376038.db2.gz FKFOOMZGUWDEHC-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000419967920 246394239 /nfs/dbraw/zinc/39/42/39/246394239.db2.gz OYZNCNSTMOVOKR-NVXWUHKLSA-N 2 1 366.506 0.191 20 0 FCADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349668 246548042 /nfs/dbraw/zinc/54/80/42/246548042.db2.gz PZYCWCCYOMMSSR-ZWKOTPCHSA-N 2 1 360.502 0.858 20 0 FCADMP CC(C)[C@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422871545 246928544 /nfs/dbraw/zinc/92/85/44/246928544.db2.gz ZBRPIRUNILXNCY-QAPCUYQASA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000423372357 247013809 /nfs/dbraw/zinc/01/38/09/247013809.db2.gz BFFMICIWZJAVJX-WBVHZDCISA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000423392366 247018074 /nfs/dbraw/zinc/01/80/74/247018074.db2.gz QGIUFXSWQIFFHQ-PMPSAXMXSA-N 2 1 366.506 0.141 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@@H]1C ZINC000423406904 247019776 /nfs/dbraw/zinc/01/97/76/247019776.db2.gz ZIPPVSIXJNCQEY-HRCADAONSA-N 2 1 366.506 0.141 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@@H]1C ZINC000423406904 247019780 /nfs/dbraw/zinc/01/97/80/247019780.db2.gz ZIPPVSIXJNCQEY-HRCADAONSA-N 2 1 366.506 0.141 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423424436 247023533 /nfs/dbraw/zinc/02/35/33/247023533.db2.gz FPGDLJZFXUDPBA-MWDXBVQZSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423598160 247067997 /nfs/dbraw/zinc/06/79/97/247067997.db2.gz VYZGXXLXSFEPML-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423598160 247068000 /nfs/dbraw/zinc/06/80/00/247068000.db2.gz VYZGXXLXSFEPML-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000423517200 247040117 /nfs/dbraw/zinc/04/01/17/247040117.db2.gz BGOTYZFKMRBXIY-IAGOWNOFSA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000423517200 247040123 /nfs/dbraw/zinc/04/01/23/247040123.db2.gz BGOTYZFKMRBXIY-IAGOWNOFSA-N 2 1 368.522 0.533 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000423529319 247042193 /nfs/dbraw/zinc/04/21/93/247042193.db2.gz PPOSVSCPUNAOHS-IAGOWNOFSA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000423529319 247042196 /nfs/dbraw/zinc/04/21/96/247042196.db2.gz PPOSVSCPUNAOHS-IAGOWNOFSA-N 2 1 370.538 0.778 20 0 FCADMP CN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000423680657 247106054 /nfs/dbraw/zinc/10/60/54/247106054.db2.gz NMVKAVBLSFKMCB-UHFFFAOYSA-N 2 1 358.486 0.584 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423640079 247088422 /nfs/dbraw/zinc/08/84/22/247088422.db2.gz VIVPGNFLMVHVHZ-IBGZPJMESA-N 2 1 362.474 0.772 20 0 FCADMP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423666897 247103817 /nfs/dbraw/zinc/10/38/17/247103817.db2.gz NATIRDXMNQVHIM-SFHVURJKSA-N 2 1 374.485 0.155 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423780272 247142578 /nfs/dbraw/zinc/14/25/78/247142578.db2.gz GHXLDYKXZNRUIO-XJKSGUPXSA-N 2 1 351.422 0.964 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H]1c1ccccc1 ZINC000423925396 247151526 /nfs/dbraw/zinc/15/15/26/247151526.db2.gz BCFYKCGBDOPNCP-RYRKJORJSA-N 2 1 363.458 0.845 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H]1c1ccccc1 ZINC000423925396 247151529 /nfs/dbraw/zinc/15/15/29/247151529.db2.gz BCFYKCGBDOPNCP-RYRKJORJSA-N 2 1 363.458 0.845 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000423988450 247155723 /nfs/dbraw/zinc/15/57/23/247155723.db2.gz XOLZUASLISWEPG-OAFZBRQQSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423702224 247116740 /nfs/dbraw/zinc/11/67/40/247116740.db2.gz XXCHRLUSCODING-CVEARBPZSA-N 2 1 368.522 0.532 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423705104 247118233 /nfs/dbraw/zinc/11/82/33/247118233.db2.gz GNOZYYRAMIRYBC-FQEVSTJZSA-N 2 1 358.486 0.789 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423716668 247122574 /nfs/dbraw/zinc/12/25/74/247122574.db2.gz ANNJLYXWNMXKPX-ZACQAIPSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423716668 247122580 /nfs/dbraw/zinc/12/25/80/247122580.db2.gz ANNJLYXWNMXKPX-ZACQAIPSSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423718246 247124781 /nfs/dbraw/zinc/12/47/81/247124781.db2.gz KXGVXNWYOALRTQ-INIZCTEOSA-N 2 1 361.490 0.073 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[C@@H]1C[NH3+] ZINC000423724373 247126786 /nfs/dbraw/zinc/12/67/86/247126786.db2.gz HBQBEWNAFMNZGY-GDBMZVCRSA-N 2 1 361.490 0.787 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)c1 ZINC000423726053 247129263 /nfs/dbraw/zinc/12/92/63/247129263.db2.gz IAFKNQIZXPKIPL-CVEARBPZSA-N 2 1 359.474 0.624 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000423741894 247135530 /nfs/dbraw/zinc/13/55/30/247135530.db2.gz YMYLWPRFGLMNTG-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000423741894 247135534 /nfs/dbraw/zinc/13/55/34/247135534.db2.gz YMYLWPRFGLMNTG-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000424141541 247171495 /nfs/dbraw/zinc/17/14/95/247171495.db2.gz CWKORQDZHQCSBB-JKSUJKDBSA-N 2 1 362.478 0.387 20 0 FCADMP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nn1 ZINC000424217803 247178584 /nfs/dbraw/zinc/17/85/84/247178584.db2.gz OFGMJFDFXIVEEY-FUHWJXTLSA-N 2 1 354.458 0.973 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000424491765 247237460 /nfs/dbraw/zinc/23/74/60/247237460.db2.gz FQLRJPBJFGLTCT-HNNXBMFYSA-N 2 1 354.495 0.143 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492253 247238117 /nfs/dbraw/zinc/23/81/17/247238117.db2.gz HFXSNYZARYDLTI-OQIJWPOYSA-N 2 1 370.497 0.915 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000425402423 247337226 /nfs/dbraw/zinc/33/72/26/247337226.db2.gz NCJXHVVSFVWOGY-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322408 247323401 /nfs/dbraw/zinc/32/34/01/247323401.db2.gz TUYQDAOELWOLFH-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n2c1 ZINC000436069668 248030819 /nfs/dbraw/zinc/03/08/19/248030819.db2.gz ZAYCOYWSZWNKSW-MRXNPFEDSA-N 2 1 357.458 0.822 20 0 FCADMP Cc1ccc2nc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n2c1 ZINC000436069668 248030823 /nfs/dbraw/zinc/03/08/23/248030823.db2.gz ZAYCOYWSZWNKSW-MRXNPFEDSA-N 2 1 357.458 0.822 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000439131703 248110987 /nfs/dbraw/zinc/11/09/87/248110987.db2.gz IHHBOCBJEKVNSV-DOTOQJQBSA-N 2 1 361.552 0.995 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000440984715 248229828 /nfs/dbraw/zinc/22/98/28/248229828.db2.gz NWPIXCBAXZONCW-QGZVFWFLSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000440984715 248229833 /nfs/dbraw/zinc/22/98/33/248229833.db2.gz NWPIXCBAXZONCW-QGZVFWFLSA-N 2 1 369.554 0.668 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1OC ZINC000442758042 248295407 /nfs/dbraw/zinc/29/54/07/248295407.db2.gz IFIAKYKAFUOXSJ-TZMCWYRMSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1OC ZINC000442758042 248295409 /nfs/dbraw/zinc/29/54/09/248295409.db2.gz IFIAKYKAFUOXSJ-TZMCWYRMSA-N 2 1 351.447 0.998 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772074 248297662 /nfs/dbraw/zinc/29/76/62/248297662.db2.gz UTVUYUVABIITKL-UJJTZGENSA-N 2 1 352.523 0.674 20 0 FCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000445150062 248374488 /nfs/dbraw/zinc/37/44/88/248374488.db2.gz HHIVWUJJCOXSCT-MRXNPFEDSA-N 2 1 367.538 0.995 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000445150062 248374489 /nfs/dbraw/zinc/37/44/89/248374489.db2.gz HHIVWUJJCOXSCT-MRXNPFEDSA-N 2 1 367.538 0.995 20 0 FCADMP CC1(C)CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000445150062 248374491 /nfs/dbraw/zinc/37/44/91/248374491.db2.gz HHIVWUJJCOXSCT-MRXNPFEDSA-N 2 1 367.538 0.995 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000271131653 211342974 /nfs/dbraw/zinc/34/29/74/211342974.db2.gz OVHMUZIMRAPDFY-SFHVURJKSA-N 2 1 361.490 0.867 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)CCCC[NH+]2CCOCC2)ccc1=O ZINC000270064377 211148852 /nfs/dbraw/zinc/14/88/52/211148852.db2.gz FUMADSNAEAIHJG-UHFFFAOYSA-N 2 1 350.463 0.851 20 0 FCADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275862 250142930 /nfs/dbraw/zinc/14/29/30/250142930.db2.gz KDAPLHUOLAJDAJ-QZTJIDSGSA-N 2 1 354.539 0.972 20 0 FCADMP CCN(C)C(=O)[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000473924770 250257219 /nfs/dbraw/zinc/25/72/19/250257219.db2.gz WGYAPLGSRSWSNU-CVEARBPZSA-N 2 1 355.527 0.911 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979135 250304812 /nfs/dbraw/zinc/30/48/12/250304812.db2.gz LGLZCVBBUOCJFE-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979135 250304814 /nfs/dbraw/zinc/30/48/14/250304814.db2.gz LGLZCVBBUOCJFE-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000480979135 250304817 /nfs/dbraw/zinc/30/48/17/250304817.db2.gz LGLZCVBBUOCJFE-YVSFHVDLSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879242 250369937 /nfs/dbraw/zinc/36/99/37/250369937.db2.gz NDRSWWXIWMNJEH-JKSUJKDBSA-N 2 1 368.522 0.044 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)[NH+]1CCSCC1 ZINC000269650000 211032627 /nfs/dbraw/zinc/03/26/27/211032627.db2.gz BKBLMQGRZJGFEO-AWEZNQCLSA-N 2 1 350.488 0.972 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+](C)C1 ZINC000413476889 532992369 /nfs/dbraw/zinc/99/23/69/532992369.db2.gz FVWMDNGZYJBWJY-OAHLLOKOSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+](C)C1 ZINC000413141854 532990643 /nfs/dbraw/zinc/99/06/43/532990643.db2.gz QBJMWKSKLFTEIP-OAHLLOKOSA-N 2 1 352.479 0.607 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413111561 532994902 /nfs/dbraw/zinc/99/49/02/532994902.db2.gz UGXCRVQSGTTZIY-HRCADAONSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413111561 532994905 /nfs/dbraw/zinc/99/49/05/532994905.db2.gz UGXCRVQSGTTZIY-HRCADAONSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413111561 532994910 /nfs/dbraw/zinc/99/49/10/532994910.db2.gz UGXCRVQSGTTZIY-HRCADAONSA-N 2 1 354.495 0.853 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016782 208031508 /nfs/dbraw/zinc/03/15/08/208031508.db2.gz GHGBEPFJZPULGV-GASCZTMLSA-N 2 1 352.479 0.750 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000105317041 208197466 /nfs/dbraw/zinc/19/74/66/208197466.db2.gz RMJQXJFLIUROLR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000105317041 208197469 /nfs/dbraw/zinc/19/74/69/208197469.db2.gz RMJQXJFLIUROLR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000105317041 208197476 /nfs/dbraw/zinc/19/74/76/208197476.db2.gz RMJQXJFLIUROLR-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000106073222 208205543 /nfs/dbraw/zinc/20/55/43/208205543.db2.gz ZGSQDVUOGHKSFR-UHFFFAOYSA-N 2 1 360.506 0.898 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000106073222 208205547 /nfs/dbraw/zinc/20/55/47/208205547.db2.gz ZGSQDVUOGHKSFR-UHFFFAOYSA-N 2 1 360.506 0.898 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867651 208287488 /nfs/dbraw/zinc/28/74/88/208287488.db2.gz JEUHVLZQWGWKNV-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000116977934 208340711 /nfs/dbraw/zinc/34/07/11/208340711.db2.gz DHUOJFZYRLTNDJ-RTBURBONSA-N 2 1 361.486 0.973 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000119601862 208363970 /nfs/dbraw/zinc/36/39/70/208363970.db2.gz YJUZNACZDZFOOD-UHFFFAOYSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)C[NH+]1CCOCC1 ZINC000120923413 208394015 /nfs/dbraw/zinc/39/40/15/208394015.db2.gz JZLKRSGZSOCWDM-AWEZNQCLSA-N 2 1 360.458 0.655 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000931883952 674150877 /nfs/dbraw/zinc/15/08/77/674150877.db2.gz WOUKQSJYGCATFN-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000931883952 674150879 /nfs/dbraw/zinc/15/08/79/674150879.db2.gz WOUKQSJYGCATFN-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171627246 208887029 /nfs/dbraw/zinc/88/70/29/208887029.db2.gz GGVYTJKXNCDHRW-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178671126 209056685 /nfs/dbraw/zinc/05/66/85/209056685.db2.gz IBCQKNYSVGOEJF-AWEZNQCLSA-N 2 1 368.503 0.873 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)cn2)CC1 ZINC000179343305 209075094 /nfs/dbraw/zinc/07/50/94/209075094.db2.gz GNZFGQNAJLTGJU-SFHVURJKSA-N 2 1 372.517 0.967 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)cn2)CC1 ZINC000179343305 209075097 /nfs/dbraw/zinc/07/50/97/209075097.db2.gz GNZFGQNAJLTGJU-SFHVURJKSA-N 2 1 372.517 0.967 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CC3CCOCC3)CC2)C1 ZINC000096078168 222013978 /nfs/dbraw/zinc/01/39/78/222013978.db2.gz LVTDKFBXKCVODD-UHFFFAOYSA-N 2 1 353.507 0.916 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000410437044 230078622 /nfs/dbraw/zinc/07/86/22/230078622.db2.gz SGVMOTUCHWTLKC-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410479384 230097053 /nfs/dbraw/zinc/09/70/53/230097053.db2.gz UAAJZYIUMQQXEX-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000410844850 230272579 /nfs/dbraw/zinc/27/25/79/230272579.db2.gz CWGFZHGZRUUOQC-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000410844850 230272582 /nfs/dbraw/zinc/27/25/82/230272582.db2.gz CWGFZHGZRUUOQC-HNNXBMFYSA-N 2 1 368.522 0.090 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963164 230330803 /nfs/dbraw/zinc/33/08/03/230330803.db2.gz MKACTFPDJXRYTB-YTQUADARSA-N 2 1 372.513 0.934 20 0 FCADMP Cc1ccnc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000411020573 230351788 /nfs/dbraw/zinc/35/17/88/230351788.db2.gz GLDYKZVRUULKQO-QGZVFWFLSA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000411020573 230351798 /nfs/dbraw/zinc/35/17/98/230351798.db2.gz GLDYKZVRUULKQO-QGZVFWFLSA-N 2 1 373.501 0.980 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329169305 488976390 /nfs/dbraw/zinc/97/63/90/488976390.db2.gz JOHXIVVPZZEPGB-ZFWWWQNUSA-N 2 1 355.508 0.646 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329169305 488976392 /nfs/dbraw/zinc/97/63/92/488976392.db2.gz JOHXIVVPZZEPGB-ZFWWWQNUSA-N 2 1 355.508 0.646 20 0 FCADMP O=C(CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695528 488874763 /nfs/dbraw/zinc/87/47/63/488874763.db2.gz NQETYCOJYCQEAX-NRFANRHFSA-N 2 1 370.497 0.933 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C12CCC[NH+]1CCC2 ZINC000278561357 488882157 /nfs/dbraw/zinc/88/21/57/488882157.db2.gz HUPCWTJOYJYMCP-UHFFFAOYSA-N 2 1 358.490 0.733 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000288091956 488942376 /nfs/dbraw/zinc/94/23/76/488942376.db2.gz HMFCRBSVDBXPNB-UHFFFAOYSA-N 2 1 364.465 0.926 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000288235085 488959794 /nfs/dbraw/zinc/95/97/94/488959794.db2.gz QBEDRJFMRIUJJX-KRWDZBQOSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000288235085 488959796 /nfs/dbraw/zinc/95/97/96/488959796.db2.gz QBEDRJFMRIUJJX-KRWDZBQOSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000288235085 488959799 /nfs/dbraw/zinc/95/97/99/488959799.db2.gz QBEDRJFMRIUJJX-KRWDZBQOSA-N 2 1 364.465 0.974 20 0 FCADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000279761851 488967248 /nfs/dbraw/zinc/96/72/48/488967248.db2.gz ZZAWPYUNIZIUIK-CALCHBBNSA-N 2 1 354.454 0.648 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000279761851 488967252 /nfs/dbraw/zinc/96/72/52/488967252.db2.gz ZZAWPYUNIZIUIK-CALCHBBNSA-N 2 1 354.454 0.648 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000279761851 488967256 /nfs/dbraw/zinc/96/72/56/488967256.db2.gz ZZAWPYUNIZIUIK-CALCHBBNSA-N 2 1 354.454 0.648 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000279761851 488967258 /nfs/dbraw/zinc/96/72/58/488967258.db2.gz ZZAWPYUNIZIUIK-CALCHBBNSA-N 2 1 354.454 0.648 20 0 FCADMP C[C@@H]1[C@H](C)N(C(=O)COCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000329133757 488972532 /nfs/dbraw/zinc/97/25/32/488972532.db2.gz ZDOYAZNTMZQRHW-WCVJEAGWSA-N 2 1 354.495 0.105 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816607 491191747 /nfs/dbraw/zinc/19/17/47/491191747.db2.gz VETIDWDFMNSQAO-OLZOCXBDSA-N 2 1 351.417 0.558 20 0 FCADMP O=C(C[NH2+]C1(CO)CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000069247123 488371681 /nfs/dbraw/zinc/37/16/81/488371681.db2.gz MBAVYJFVKOEVGK-UHFFFAOYSA-N 2 1 369.506 0.269 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069425801 488372573 /nfs/dbraw/zinc/37/25/73/488372573.db2.gz HFBRSKOACSOSSD-HNNXBMFYSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069425801 488372574 /nfs/dbraw/zinc/37/25/74/488372574.db2.gz HFBRSKOACSOSSD-HNNXBMFYSA-N 2 1 353.511 0.569 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000072835993 488382898 /nfs/dbraw/zinc/38/28/98/488382898.db2.gz SZSWBTGVHCVUQY-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859800 488383282 /nfs/dbraw/zinc/38/32/82/488383282.db2.gz XDRFFVVCFPLESM-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859800 488383283 /nfs/dbraw/zinc/38/32/83/488383283.db2.gz XDRFFVVCFPLESM-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859800 488383284 /nfs/dbraw/zinc/38/32/84/488383284.db2.gz XDRFFVVCFPLESM-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000073686318 488385869 /nfs/dbraw/zinc/38/58/69/488385869.db2.gz FDFAAJFRPGWMGB-UHFFFAOYSA-N 2 1 353.511 0.805 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CC[NH+](C)CC1 ZINC000074008869 488387157 /nfs/dbraw/zinc/38/71/57/488387157.db2.gz LOMDNDLZWSPHQP-KRWDZBQOSA-N 2 1 369.554 0.668 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223756 488389041 /nfs/dbraw/zinc/38/90/41/488389041.db2.gz JWLKPOPWUCBVAH-KRWDZBQOSA-N 2 1 369.554 0.670 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315941 488390149 /nfs/dbraw/zinc/39/01/49/488390149.db2.gz BROQIMZNGVPOQN-IRXDYDNUSA-N 2 1 350.507 0.587 20 0 FCADMP COC(=O)C1(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CCCCC1 ZINC000182961146 488390587 /nfs/dbraw/zinc/39/05/87/488390587.db2.gz ZGDQJEXUXSINQK-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COC(=O)C1(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CCCCC1 ZINC000182961146 488390589 /nfs/dbraw/zinc/39/05/89/488390589.db2.gz ZGDQJEXUXSINQK-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352080 488390901 /nfs/dbraw/zinc/39/09/01/488390901.db2.gz DMZVCLRBTAJWQJ-CRAIPNDOSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@](O)(CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074352080 488390903 /nfs/dbraw/zinc/39/09/03/488390903.db2.gz DMZVCLRBTAJWQJ-CRAIPNDOSA-N 2 1 354.495 0.386 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345391 488391201 /nfs/dbraw/zinc/39/12/01/488391201.db2.gz WSHMTXPZPPJVAA-JKSUJKDBSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345391 488391203 /nfs/dbraw/zinc/39/12/03/488391203.db2.gz WSHMTXPZPPJVAA-JKSUJKDBSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345391 488391204 /nfs/dbraw/zinc/39/12/04/488391204.db2.gz WSHMTXPZPPJVAA-JKSUJKDBSA-N 2 1 353.511 0.555 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184511116 488396966 /nfs/dbraw/zinc/39/69/66/488396966.db2.gz IQSWCCYCLXGLOD-SJLPKXTDSA-N 2 1 354.539 0.922 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184511065 488396975 /nfs/dbraw/zinc/39/69/75/488396975.db2.gz IQSWCCYCLXGLOD-WMZOPIPTSA-N 2 1 354.539 0.922 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077569885 488415789 /nfs/dbraw/zinc/41/57/89/488415789.db2.gz AYSRFEYWFXKNPY-UHFFFAOYSA-N 2 1 356.511 0.709 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000569836148 491196886 /nfs/dbraw/zinc/19/68/86/491196886.db2.gz ZURHBZIXGNHOAC-PMPSAXMXSA-N 2 1 359.474 0.962 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000192802655 488424447 /nfs/dbraw/zinc/42/44/47/488424447.db2.gz NHDZZQCMEKLBOA-ROUUACIJSA-N 2 1 370.538 0.879 20 0 FCADMP CN1CCN(C(=O)CCNC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000193421246 488427244 /nfs/dbraw/zinc/42/72/44/488427244.db2.gz MRIZUMYMZWMINI-UHFFFAOYSA-N 2 1 373.501 0.508 20 0 FCADMP CN1CCN(C(=O)CCNC(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000193421246 488427246 /nfs/dbraw/zinc/42/72/46/488427246.db2.gz MRIZUMYMZWMINI-UHFFFAOYSA-N 2 1 373.501 0.508 20 0 FCADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000079253285 488428605 /nfs/dbraw/zinc/42/86/05/488428605.db2.gz SUGGKYXUMWRXFC-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000079689723 488431463 /nfs/dbraw/zinc/43/14/63/488431463.db2.gz KLWQKTFUTAZFGD-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CC[N@@H+](C)CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080102523 488433627 /nfs/dbraw/zinc/43/36/27/488433627.db2.gz PIYNITCSVRMBQE-UHFFFAOYSA-N 2 1 355.527 0.864 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000268891298 488455522 /nfs/dbraw/zinc/45/55/22/488455522.db2.gz IUJYBGOLLZPBPP-INIZCTEOSA-N 2 1 362.478 0.530 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000268891298 488455524 /nfs/dbraw/zinc/45/55/24/488455524.db2.gz IUJYBGOLLZPBPP-INIZCTEOSA-N 2 1 362.478 0.530 20 0 FCADMP C[C@]1(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269048 488484604 /nfs/dbraw/zinc/48/46/04/488484604.db2.gz QVMSKANAOURGAN-PXNSSMCTSA-N 2 1 358.486 1.000 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000269289115 488487613 /nfs/dbraw/zinc/48/76/13/488487613.db2.gz KEUXXCULUBZZFQ-SFHVURJKSA-N 2 1 368.485 0.675 20 0 FCADMP O=C(C[C@H]1C[NH2+]CCO1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000269301738 488489424 /nfs/dbraw/zinc/48/94/24/488489424.db2.gz QTHVTSWMOGSALL-KRWDZBQOSA-N 2 1 350.438 0.442 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000269309464 488489742 /nfs/dbraw/zinc/48/97/42/488489742.db2.gz VYWNZRGKJDLYJS-LJQANCHMSA-N 2 1 360.502 0.819 20 0 FCADMP CC(C)[C@H](C(=O)N1CCCN(CC(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494677 /nfs/dbraw/zinc/49/46/77/488494677.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 1 354.495 0.140 20 0 FCADMP CC(C)[C@H](C(=O)N1CCCN(CC(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494679 /nfs/dbraw/zinc/49/46/79/488494679.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 1 354.495 0.140 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000102048643 488497439 /nfs/dbraw/zinc/49/74/39/488497439.db2.gz APFHUOXBIYGKDV-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000249345714 488509022 /nfs/dbraw/zinc/50/90/22/488509022.db2.gz FCZQYYVMEXPROB-IPMKNSEASA-N 2 1 360.502 0.858 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000249345714 488509024 /nfs/dbraw/zinc/50/90/24/488509024.db2.gz FCZQYYVMEXPROB-IPMKNSEASA-N 2 1 360.502 0.858 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000249345714 488509026 /nfs/dbraw/zinc/50/90/26/488509026.db2.gz FCZQYYVMEXPROB-IPMKNSEASA-N 2 1 360.502 0.858 20 0 FCADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000105476268 488509635 /nfs/dbraw/zinc/50/96/35/488509635.db2.gz VOWTUCQRIKODKX-UHFFFAOYSA-N 2 1 364.538 0.682 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000554461943 491204302 /nfs/dbraw/zinc/20/43/02/491204302.db2.gz RUMQFEVHIUTYME-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000554461943 491204303 /nfs/dbraw/zinc/20/43/03/491204303.db2.gz RUMQFEVHIUTYME-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1=O ZINC000108463592 488519247 /nfs/dbraw/zinc/51/92/47/488519247.db2.gz LCMGCMDVOCAXCS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000108463592 488519248 /nfs/dbraw/zinc/51/92/48/488519248.db2.gz LCMGCMDVOCAXCS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000108463592 488519252 /nfs/dbraw/zinc/51/92/52/488519252.db2.gz LCMGCMDVOCAXCS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000109394593 488523188 /nfs/dbraw/zinc/52/31/88/488523188.db2.gz NMFWACUGPOYXHS-AWEZNQCLSA-N 2 1 351.495 0.323 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000109394593 488523189 /nfs/dbraw/zinc/52/31/89/488523189.db2.gz NMFWACUGPOYXHS-AWEZNQCLSA-N 2 1 351.495 0.323 20 0 FCADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261609974 488527047 /nfs/dbraw/zinc/52/70/47/488527047.db2.gz DNNXVDIXCOFODK-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000261648591 488528953 /nfs/dbraw/zinc/52/89/53/488528953.db2.gz JHZAMXMRIQIWGW-HNNXBMFYSA-N 2 1 350.438 0.537 20 0 FCADMP CCOCCN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000111813892 488531180 /nfs/dbraw/zinc/53/11/80/488531180.db2.gz LSZSHAJHEIIZDD-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCOCC1 ZINC000111811922 488531279 /nfs/dbraw/zinc/53/12/79/488531279.db2.gz FCOJMUKVAGVFEI-SFHVURJKSA-N 2 1 370.538 0.737 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000261700000 488531818 /nfs/dbraw/zinc/53/18/18/488531818.db2.gz OPZNPHVPMJLERO-OAHLLOKOSA-N 2 1 350.438 0.271 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261760224 488534607 /nfs/dbraw/zinc/53/46/07/488534607.db2.gz LSSBBMHKXDULMI-SJORKVTESA-N 2 1 360.458 0.448 20 0 FCADMP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755816 488534795 /nfs/dbraw/zinc/53/47/95/488534795.db2.gz FLXNTSPRMIBYHD-UAGQMJEPSA-N 2 1 374.489 0.106 20 0 FCADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261755816 488534797 /nfs/dbraw/zinc/53/47/97/488534797.db2.gz FLXNTSPRMIBYHD-UAGQMJEPSA-N 2 1 374.489 0.106 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261853543 488538505 /nfs/dbraw/zinc/53/85/05/488538505.db2.gz MPOXRFGGYBKEHO-ILXRZTDVSA-N 2 1 360.462 0.384 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261853543 488538506 /nfs/dbraw/zinc/53/85/06/488538506.db2.gz MPOXRFGGYBKEHO-ILXRZTDVSA-N 2 1 360.462 0.384 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261896046 488540577 /nfs/dbraw/zinc/54/05/77/488540577.db2.gz RBWOGUPKAQUKKS-RRFJBIMHSA-N 2 1 367.494 0.189 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2)CC1 ZINC000261982639 488544553 /nfs/dbraw/zinc/54/45/53/488544553.db2.gz CUULABJUSMRKPO-VQTJNVASSA-N 2 1 371.529 0.481 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037512 488547317 /nfs/dbraw/zinc/54/73/17/488547317.db2.gz KUTZDEIEAQSYGH-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262037512 488547319 /nfs/dbraw/zinc/54/73/19/488547319.db2.gz KUTZDEIEAQSYGH-WOJBJXKFSA-N 2 1 372.513 0.784 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000262164164 488554888 /nfs/dbraw/zinc/55/48/88/488554888.db2.gz HDOQSZFNPVWDLF-SJORKVTESA-N 2 1 350.507 0.825 20 0 FCADMP CS(=O)(=O)C1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000262354134 488565731 /nfs/dbraw/zinc/56/57/31/488565731.db2.gz JKYRIRDLZRYUHD-UHFFFAOYSA-N 2 1 357.520 0.630 20 0 FCADMP CS(=O)(=O)C1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000262354134 488565732 /nfs/dbraw/zinc/56/57/32/488565732.db2.gz JKYRIRDLZRYUHD-UHFFFAOYSA-N 2 1 357.520 0.630 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000262438459 488570625 /nfs/dbraw/zinc/57/06/25/488570625.db2.gz UNUKPWBVLPZOGR-UHFFFAOYSA-N 2 1 367.515 0.921 20 0 FCADMP C[NH2+][C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cnn(C)c1 ZINC000262470474 488571929 /nfs/dbraw/zinc/57/19/29/488571929.db2.gz YEYAMRYBGCQACH-JZXOWHBKSA-N 2 1 362.522 0.698 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000569969882 491207123 /nfs/dbraw/zinc/20/71/23/491207123.db2.gz HPXQFIQVUSXTRA-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000124648313 488594528 /nfs/dbraw/zinc/59/45/28/488594528.db2.gz RZJPDXMRCSJVAE-INIZCTEOSA-N 2 1 364.494 0.716 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000125672797 488603656 /nfs/dbraw/zinc/60/36/56/488603656.db2.gz HPOORNRNFMIUAL-KRWDZBQOSA-N 2 1 361.490 0.799 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263723128 488621869 /nfs/dbraw/zinc/62/18/69/488621869.db2.gz SSUQGOMCECATIR-OAHLLOKOSA-N 2 1 350.467 0.433 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263723128 488621871 /nfs/dbraw/zinc/62/18/71/488621871.db2.gz SSUQGOMCECATIR-OAHLLOKOSA-N 2 1 350.467 0.433 20 0 FCADMP O=S(=O)(C[C@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263731552 488622328 /nfs/dbraw/zinc/62/23/28/488622328.db2.gz YIOINWJTDGGXBX-QGZVFWFLSA-N 2 1 368.503 0.692 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130661247 488639392 /nfs/dbraw/zinc/63/93/92/488639392.db2.gz SEZHQXQRYVKCBM-CVEARBPZSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cc[nH+]1 ZINC000133883754 488662620 /nfs/dbraw/zinc/66/26/20/488662620.db2.gz WOSHZVPZTJMFGI-ZDUSSCGKSA-N 2 1 350.492 0.286 20 0 FCADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137121083 488680272 /nfs/dbraw/zinc/68/02/72/488680272.db2.gz YLZKMLRSSCKIQB-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000150761025 488699556 /nfs/dbraw/zinc/69/95/56/488699556.db2.gz TWBBYESDGFJZBT-SFHVURJKSA-N 2 1 372.517 0.933 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000264775529 488710585 /nfs/dbraw/zinc/71/05/85/488710585.db2.gz AUJAKERNPYEFRW-UHFFFAOYSA-N 3 1 360.506 0.987 20 0 FCADMP C[N@H+](CCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000264775529 488710586 /nfs/dbraw/zinc/71/05/86/488710586.db2.gz AUJAKERNPYEFRW-UHFFFAOYSA-N 2 1 360.506 0.987 20 0 FCADMP C[N@@H+](CCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000264775529 488710587 /nfs/dbraw/zinc/71/05/87/488710587.db2.gz AUJAKERNPYEFRW-UHFFFAOYSA-N 2 1 360.506 0.987 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000151853994 488711138 /nfs/dbraw/zinc/71/11/38/488711138.db2.gz ZXHWCMTZVDPBEK-MRXNPFEDSA-N 2 1 354.495 0.509 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153276454 488729871 /nfs/dbraw/zinc/72/98/71/488729871.db2.gz GHYHUYBPZLITPD-CQSZACIVSA-N 2 1 350.467 0.374 20 0 FCADMP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000154514098 488743768 /nfs/dbraw/zinc/74/37/68/488743768.db2.gz GKQBHRHMYZTLFP-GOSISDBHSA-N 2 1 352.523 0.774 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154514098 488743770 /nfs/dbraw/zinc/74/37/70/488743770.db2.gz GKQBHRHMYZTLFP-GOSISDBHSA-N 2 1 352.523 0.774 20 0 FCADMP CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CCS(C)(=O)=O ZINC000154519022 488743948 /nfs/dbraw/zinc/74/39/48/488743948.db2.gz AWXLLUZBKGAKSS-UHFFFAOYSA-N 2 1 368.503 0.487 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000570146734 491219731 /nfs/dbraw/zinc/21/97/31/491219731.db2.gz OMYOXJBIEGEEIF-DLBZAZTESA-N 2 1 368.522 0.740 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000155405624 488755372 /nfs/dbraw/zinc/75/53/72/488755372.db2.gz ZMYHKCIZKQXMNH-INIZCTEOSA-N 2 1 356.511 0.443 20 0 FCADMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000155405624 488755373 /nfs/dbraw/zinc/75/53/73/488755373.db2.gz ZMYHKCIZKQXMNH-INIZCTEOSA-N 2 1 356.511 0.443 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000156352278 488764413 /nfs/dbraw/zinc/76/44/13/488764413.db2.gz ZGPSMWMWLBLGFP-QZTJIDSGSA-N 2 1 368.522 0.728 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000267157328 488765769 /nfs/dbraw/zinc/76/57/69/488765769.db2.gz FUXOATHWTLIZBG-KRWDZBQOSA-N 2 1 374.529 0.895 20 0 FCADMP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000157349599 488770751 /nfs/dbraw/zinc/77/07/51/488770751.db2.gz CWMAYGBDKDHMBQ-HNNXBMFYSA-N 2 1 374.489 0.384 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000157349599 488770753 /nfs/dbraw/zinc/77/07/53/488770753.db2.gz CWMAYGBDKDHMBQ-HNNXBMFYSA-N 2 1 374.489 0.384 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000171193911 488820883 /nfs/dbraw/zinc/82/08/83/488820883.db2.gz DXHXTXPECQMZSV-UHFFFAOYSA-N 2 1 364.494 0.211 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171619895 488824651 /nfs/dbraw/zinc/82/46/51/488824651.db2.gz RCFFDLXDNHUNFF-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000171659234 488825602 /nfs/dbraw/zinc/82/56/02/488825602.db2.gz QSEYQNCXGWYSLJ-UHFFFAOYSA-N 2 1 358.486 0.966 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000173580426 488843712 /nfs/dbraw/zinc/84/37/12/488843712.db2.gz GLJSPGPZPUMGNY-QGZVFWFLSA-N 2 1 356.511 0.709 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000175740590 488855248 /nfs/dbraw/zinc/85/52/48/488855248.db2.gz OIXHTTSXUQUPFG-UHFFFAOYSA-N 2 1 356.511 0.709 20 0 FCADMP C[C@@](O)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000176024682 488856893 /nfs/dbraw/zinc/85/68/93/488856893.db2.gz XTWCKNDSTPVSBE-LJQANCHMSA-N 2 1 368.522 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000179153742 488860931 /nfs/dbraw/zinc/86/09/31/488860931.db2.gz LFPULVBRWURRHJ-CQSZACIVSA-N 2 1 372.491 0.415 20 0 FCADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000329334822 488994190 /nfs/dbraw/zinc/99/41/90/488994190.db2.gz KXMWMNUGYAGWSO-QAPCUYQASA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1C[C@@H](C)O ZINC000364738224 488995228 /nfs/dbraw/zinc/99/52/28/488995228.db2.gz UMMJCKHLNIBOCG-GMKVZWAMSA-N 2 1 353.507 0.823 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509101 489011085 /nfs/dbraw/zinc/01/10/85/489011085.db2.gz JONJWUMCOHVJPL-SJORKVTESA-N 2 1 360.506 0.930 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000288758356 489012939 /nfs/dbraw/zinc/01/29/39/489012939.db2.gz JNGDQLVNXKJJKO-UHFFFAOYSA-N 2 1 363.506 0.686 20 0 FCADMP CN(CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)CC[NH+](C)C ZINC000288758356 489012942 /nfs/dbraw/zinc/01/29/42/489012942.db2.gz JNGDQLVNXKJJKO-UHFFFAOYSA-N 2 1 363.506 0.686 20 0 FCADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000563215756 491228413 /nfs/dbraw/zinc/22/84/13/491228413.db2.gz SEDLESANKDXTDD-SFHVURJKSA-N 2 1 372.517 0.100 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000570268554 491228945 /nfs/dbraw/zinc/22/89/45/491228945.db2.gz JIBBTRHTXPZGAI-FGYAAKKASA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000570268554 491228948 /nfs/dbraw/zinc/22/89/48/491228948.db2.gz JIBBTRHTXPZGAI-FGYAAKKASA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000570268554 491228950 /nfs/dbraw/zinc/22/89/50/491228950.db2.gz JIBBTRHTXPZGAI-FGYAAKKASA-N 2 1 364.486 0.037 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365324772 489064235 /nfs/dbraw/zinc/06/42/35/489064235.db2.gz GJMITPFUKCCGOZ-SFHVURJKSA-N 2 1 351.539 0.252 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365324772 489064237 /nfs/dbraw/zinc/06/42/37/489064237.db2.gz GJMITPFUKCCGOZ-SFHVURJKSA-N 2 1 351.539 0.252 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365324772 489064239 /nfs/dbraw/zinc/06/42/39/489064239.db2.gz GJMITPFUKCCGOZ-SFHVURJKSA-N 2 1 351.539 0.252 20 0 FCADMP C[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000365328366 489064499 /nfs/dbraw/zinc/06/44/99/489064499.db2.gz UHLXPBVJCURQOJ-GOSISDBHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C)nc1 ZINC000330115060 489070189 /nfs/dbraw/zinc/07/01/89/489070189.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 1 359.474 0.634 20 0 FCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C)nc1 ZINC000330115060 489070193 /nfs/dbraw/zinc/07/01/93/489070193.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 1 359.474 0.634 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365511930 489082526 /nfs/dbraw/zinc/08/25/26/489082526.db2.gz WQDBFTKFGJBSRB-UHFFFAOYSA-N 2 1 362.478 0.641 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000365741824 489107705 /nfs/dbraw/zinc/10/77/05/489107705.db2.gz IAUGUGDLWDTROF-RCCFBDPRSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000365741824 489107708 /nfs/dbraw/zinc/10/77/08/489107708.db2.gz IAUGUGDLWDTROF-RCCFBDPRSA-N 2 1 368.522 0.992 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365781266 489112998 /nfs/dbraw/zinc/11/29/98/489112998.db2.gz CLICXABQQAQKGF-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365781266 489113002 /nfs/dbraw/zinc/11/30/02/489113002.db2.gz CLICXABQQAQKGF-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cn2)CC1 ZINC000290390764 489136225 /nfs/dbraw/zinc/13/62/25/489136225.db2.gz IVAAQXRIVPWWNW-QGZVFWFLSA-N 2 1 358.490 0.673 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cn2)CC1 ZINC000290390764 489136229 /nfs/dbraw/zinc/13/62/29/489136229.db2.gz IVAAQXRIVPWWNW-QGZVFWFLSA-N 2 1 358.490 0.673 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290730275 489160945 /nfs/dbraw/zinc/16/09/45/489160945.db2.gz WLNITHVXUACLGE-UHFFFAOYSA-N 2 1 351.495 0.635 20 0 FCADMP CN(CCCNC(=O)c1ccnc(OCC[NH+](C)C)c1)CC[NH+](C)C ZINC000290730275 489160948 /nfs/dbraw/zinc/16/09/48/489160948.db2.gz WLNITHVXUACLGE-UHFFFAOYSA-N 2 1 351.495 0.635 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000331372557 489203166 /nfs/dbraw/zinc/20/31/66/489203166.db2.gz FFNQCWMKFPIYGA-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000331380653 489204087 /nfs/dbraw/zinc/20/40/87/489204087.db2.gz JJDSXVHCGMZQFQ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331400351 489206693 /nfs/dbraw/zinc/20/66/93/489206693.db2.gz MQCZABQYHOORDS-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331400351 489206695 /nfs/dbraw/zinc/20/66/95/489206695.db2.gz MQCZABQYHOORDS-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000367571536 489207530 /nfs/dbraw/zinc/20/75/30/489207530.db2.gz BFNUGTVLZNDUBO-AEFFLSMTSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C[C@H](C)[N@H+]1C ZINC000332484578 489219216 /nfs/dbraw/zinc/21/92/16/489219216.db2.gz AOPWWPSVXKKCQX-HDEZJCGLSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C[C@H](C)[N@@H+]1C ZINC000332484578 489219218 /nfs/dbraw/zinc/21/92/18/489219218.db2.gz AOPWWPSVXKKCQX-HDEZJCGLSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000332895179 489243833 /nfs/dbraw/zinc/24/38/33/489243833.db2.gz IKWSBSTZCGQTSU-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000332895179 489243836 /nfs/dbraw/zinc/24/38/36/489243836.db2.gz IKWSBSTZCGQTSU-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000332895179 489243837 /nfs/dbraw/zinc/24/38/37/489243837.db2.gz IKWSBSTZCGQTSU-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000283464905 489262474 /nfs/dbraw/zinc/26/24/74/489262474.db2.gz DWIAAZYTQIWFTC-UHFFFAOYSA-N 2 1 362.474 0.203 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000298081853 489287955 /nfs/dbraw/zinc/28/79/55/489287955.db2.gz ZFGXKBHUUYIQHL-IBGZPJMESA-N 2 1 362.474 0.724 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000298081857 489288088 /nfs/dbraw/zinc/28/80/88/489288088.db2.gz ZFGXKBHUUYIQHL-LJQANCHMSA-N 2 1 362.474 0.724 20 0 FCADMP CN(CCC[N@@H+](C)CCC(=O)Nc1sccc1C(N)=O)CC[NH+](C)C ZINC000298363990 489320270 /nfs/dbraw/zinc/32/02/70/489320270.db2.gz CLUCPAWUEHCERF-UHFFFAOYSA-N 2 1 369.535 0.991 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000361722804 489363880 /nfs/dbraw/zinc/36/38/80/489363880.db2.gz CZWBLVCQYVKMLJ-UHFFFAOYSA-N 2 1 358.486 0.590 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236334 489372014 /nfs/dbraw/zinc/37/20/14/489372014.db2.gz UNWSJFBDSDQLLH-OALUTQOASA-N 2 1 360.502 0.860 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000363066141 489419201 /nfs/dbraw/zinc/41/92/01/489419201.db2.gz LCMPEXWAPHTJHU-QGZVFWFLSA-N 2 1 365.522 0.319 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)CC1 ZINC000363085543 489421557 /nfs/dbraw/zinc/42/15/57/489421557.db2.gz XSKLUHLJNOEEOP-UFYCRDLUSA-N 2 1 372.513 0.955 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)CC1 ZINC000363085543 489421559 /nfs/dbraw/zinc/42/15/59/489421559.db2.gz XSKLUHLJNOEEOP-UFYCRDLUSA-N 2 1 372.513 0.955 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371027455 489440293 /nfs/dbraw/zinc/44/02/93/489440293.db2.gz IKNZDUMNHCLSJA-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371027455 489440296 /nfs/dbraw/zinc/44/02/96/489440296.db2.gz IKNZDUMNHCLSJA-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371027455 489440297 /nfs/dbraw/zinc/44/02/97/489440297.db2.gz IKNZDUMNHCLSJA-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP C[N@H+]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299525995 489451282 /nfs/dbraw/zinc/45/12/82/489451282.db2.gz RFUANTFBEOKILL-UHFFFAOYSA-N 3 1 360.506 0.941 20 0 FCADMP C[N@@H+]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299525995 489451286 /nfs/dbraw/zinc/45/12/86/489451286.db2.gz RFUANTFBEOKILL-UHFFFAOYSA-N 2 1 360.506 0.941 20 0 FCADMP C[N@H+]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299525995 489451290 /nfs/dbraw/zinc/45/12/90/489451290.db2.gz RFUANTFBEOKILL-UHFFFAOYSA-N 2 1 360.506 0.941 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363389897 489461488 /nfs/dbraw/zinc/46/14/88/489461488.db2.gz OCKMZEYDEGCGNV-MSOLQXFVSA-N 3 1 369.554 0.765 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000287184278 489468647 /nfs/dbraw/zinc/46/86/47/489468647.db2.gz SEWVYWZJQTZZGR-HNNXBMFYSA-N 2 1 361.490 0.824 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371225172 489468670 /nfs/dbraw/zinc/46/86/70/489468670.db2.gz GVOTXSZTIRRPPK-MSOLQXFVSA-N 2 1 369.554 0.622 20 0 FCADMP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469817 489485356 /nfs/dbraw/zinc/48/53/56/489485356.db2.gz GSGNADJVDFAJGO-IPMKNSEASA-N 2 1 374.533 0.912 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657822 489493407 /nfs/dbraw/zinc/49/34/07/489493407.db2.gz NDLSISJSEUKYEL-IAGOWNOFSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371657822 489493412 /nfs/dbraw/zinc/49/34/12/489493412.db2.gz NDLSISJSEUKYEL-IAGOWNOFSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371657822 489493414 /nfs/dbraw/zinc/49/34/14/489493414.db2.gz NDLSISJSEUKYEL-IAGOWNOFSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000371657821 489493545 /nfs/dbraw/zinc/49/35/45/489493545.db2.gz NDLSISJSEUKYEL-DLBZAZTESA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371657821 489493547 /nfs/dbraw/zinc/49/35/47/489493547.db2.gz NDLSISJSEUKYEL-DLBZAZTESA-N 2 1 365.522 0.176 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371657821 489493551 /nfs/dbraw/zinc/49/35/51/489493551.db2.gz NDLSISJSEUKYEL-DLBZAZTESA-N 2 1 365.522 0.176 20 0 FCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423113761 489494348 /nfs/dbraw/zinc/49/43/48/489494348.db2.gz LEUQWXHGESLPFD-AWEZNQCLSA-N 2 1 350.488 0.242 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423110443 489494569 /nfs/dbraw/zinc/49/45/69/489494569.db2.gz IBVIMFGZCWSBQN-GJZGRUSLSA-N 2 1 364.515 0.631 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423117183 489494843 /nfs/dbraw/zinc/49/48/43/489494843.db2.gz UENFUMHPSMWMGK-OAHLLOKOSA-N 2 1 364.515 0.645 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)NCC[NH+]3CCSCC3)n2)CC1 ZINC000555577256 491257146 /nfs/dbraw/zinc/25/71/46/491257146.db2.gz CJOHNOMVUMDBTM-UHFFFAOYSA-N 2 1 352.508 1.320 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000423192429 489501228 /nfs/dbraw/zinc/50/12/28/489501228.db2.gz VGZDZGZOUPGKBY-OAGGEKHMSA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423204115 489502266 /nfs/dbraw/zinc/50/22/66/489502266.db2.gz NQDOCMDKTYNLLK-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000423237429 489506244 /nfs/dbraw/zinc/50/62/44/489506244.db2.gz TWHKAAPHUFRDHQ-GOSISDBHSA-N 2 1 372.513 0.974 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000415372503 489515882 /nfs/dbraw/zinc/51/58/82/489515882.db2.gz VHGWWJPQOAKATN-GJZGRUSLSA-N 2 1 362.474 0.960 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616286 491260132 /nfs/dbraw/zinc/26/01/32/491260132.db2.gz RFGFTPQKJASNSU-CALCHBBNSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616286 491260134 /nfs/dbraw/zinc/26/01/34/491260134.db2.gz RFGFTPQKJASNSU-CALCHBBNSA-N 2 1 368.522 0.309 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000563639710 491260483 /nfs/dbraw/zinc/26/04/83/491260483.db2.gz KQLHIDARQXJHMM-OAHLLOKOSA-N 2 1 350.463 0.957 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415497898 489525658 /nfs/dbraw/zinc/52/56/58/489525658.db2.gz PRFKIBMSBIQXMU-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000425860048 489534288 /nfs/dbraw/zinc/53/42/88/489534288.db2.gz GIHSSANNXPPGHF-UHFFFAOYSA-N 2 1 370.538 0.791 20 0 FCADMP Cc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c(OCC[NH+](C)C)c1 ZINC000415614596 489537527 /nfs/dbraw/zinc/53/75/27/489537527.db2.gz PKRKMDBOPRSOGS-UHFFFAOYSA-N 2 1 358.389 0.584 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000425879184 489538859 /nfs/dbraw/zinc/53/88/59/489538859.db2.gz DWEHZVIGOUMIIT-OAHLLOKOSA-N 2 1 370.538 0.648 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000425891790 489542842 /nfs/dbraw/zinc/54/28/42/489542842.db2.gz UNXRFCMQLMHNRU-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660926 491263254 /nfs/dbraw/zinc/26/32/54/491263254.db2.gz NDXZCHZYOIHOJN-GOEBONIOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000555663644 491263471 /nfs/dbraw/zinc/26/34/71/491263471.db2.gz OAFXIJISXORFCE-UHFFFAOYSA-N 2 1 356.536 0.532 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416152573 489572202 /nfs/dbraw/zinc/57/22/02/489572202.db2.gz XTMWUVAVMSTZCW-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416152573 489572203 /nfs/dbraw/zinc/57/22/03/489572203.db2.gz XTMWUVAVMSTZCW-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416152573 489572205 /nfs/dbraw/zinc/57/22/05/489572205.db2.gz XTMWUVAVMSTZCW-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000563704974 491264343 /nfs/dbraw/zinc/26/43/43/491264343.db2.gz APSMIMRVOXIHCE-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000454854319 489580207 /nfs/dbraw/zinc/58/02/07/489580207.db2.gz BGKSKQUJJLOEIP-UHFFFAOYSA-N 2 1 365.526 0.982 20 0 FCADMP COc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000426902002 489586023 /nfs/dbraw/zinc/58/60/23/489586023.db2.gz ZLTYHRFQVFMFGM-TUVASFSCSA-N 2 1 363.510 0.513 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000426902002 489586025 /nfs/dbraw/zinc/58/60/25/489586025.db2.gz ZLTYHRFQVFMFGM-TUVASFSCSA-N 2 1 363.510 0.513 20 0 FCADMP COc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000426902002 489586028 /nfs/dbraw/zinc/58/60/28/489586028.db2.gz ZLTYHRFQVFMFGM-TUVASFSCSA-N 2 1 363.510 0.513 20 0 FCADMP Cc1nsc(N2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000372471518 489587960 /nfs/dbraw/zinc/58/79/60/489587960.db2.gz HBHNDOUFIUOPBO-UHFFFAOYSA-N 2 1 352.508 0.523 20 0 FCADMP Cc1nsc(N2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000372471518 489587963 /nfs/dbraw/zinc/58/79/63/489587963.db2.gz HBHNDOUFIUOPBO-UHFFFAOYSA-N 2 1 352.508 0.523 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000570792799 491265061 /nfs/dbraw/zinc/26/50/61/491265061.db2.gz VZBCNZNYWMJKNG-MRXNPFEDSA-N 2 1 359.474 0.639 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455652871 489597332 /nfs/dbraw/zinc/59/73/32/489597332.db2.gz ZQAYJJJHJFVMJE-UHFFFAOYSA-N 2 1 365.526 0.982 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000427299501 489601536 /nfs/dbraw/zinc/60/15/36/489601536.db2.gz NPMDKXACEMDMTR-OAHLLOKOSA-N 2 1 362.478 0.375 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000563725260 491265800 /nfs/dbraw/zinc/26/58/00/491265800.db2.gz KVHMXWXUTKHXMG-XLIONFOSSA-N 2 1 358.486 0.867 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000570808895 491266161 /nfs/dbraw/zinc/26/61/61/491266161.db2.gz AYDLQUUWAWYQKU-UHFFFAOYSA-N 2 1 368.522 0.391 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](NC(=O)NC)C3)CC2)CC1 ZINC000570813852 491266420 /nfs/dbraw/zinc/26/64/20/491266420.db2.gz IQPOFNYSRIVPLU-MRXNPFEDSA-N 2 1 365.522 0.713 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372649740 489615381 /nfs/dbraw/zinc/61/53/81/489615381.db2.gz OMCUKDDZHBOMBT-AQNXPRMDSA-N 2 1 373.497 0.945 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000555700520 491266770 /nfs/dbraw/zinc/26/67/70/491266770.db2.gz NVAQTMDOPGCJFX-QGZVFWFLSA-N 2 1 357.458 0.597 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427778580 489620165 /nfs/dbraw/zinc/62/01/65/489620165.db2.gz JRXJTHXOCDTNGE-OBRKIGFESA-N 2 1 362.518 0.299 20 0 FCADMP CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570818201 491266972 /nfs/dbraw/zinc/26/69/72/491266972.db2.gz OSASPPINGGPWLC-AEFFLSMTSA-N 2 1 372.473 0.646 20 0 FCADMP CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570818201 491266975 /nfs/dbraw/zinc/26/69/75/491266975.db2.gz OSASPPINGGPWLC-AEFFLSMTSA-N 2 1 372.473 0.646 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000416941742 489634635 /nfs/dbraw/zinc/63/46/35/489634635.db2.gz CHZUYBMZTJRVLZ-JKSUJKDBSA-N 2 1 361.494 0.428 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963610 489636669 /nfs/dbraw/zinc/63/66/69/489636669.db2.gz ZPMMLTZSOFBKOQ-MRXNPFEDSA-N 2 1 363.510 0.805 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000417056452 489640136 /nfs/dbraw/zinc/64/01/36/489640136.db2.gz ZIWXKHCEWBGEMZ-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417238991 489645608 /nfs/dbraw/zinc/64/56/08/489645608.db2.gz NDLUBJDBLYNGSI-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000417234166 489645618 /nfs/dbraw/zinc/64/56/18/489645618.db2.gz UNJUDZOVTHDCGY-QGZVFWFLSA-N 2 1 361.490 0.615 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417236364 489645703 /nfs/dbraw/zinc/64/57/03/489645703.db2.gz FIJQYPATORBJPZ-UONOGXRCSA-N 2 1 365.444 0.854 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417252263 489645709 /nfs/dbraw/zinc/64/57/09/489645709.db2.gz JIAOIXBCAVKLIR-YVSFHVDLSA-N 2 1 367.538 0.849 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730875 491268565 /nfs/dbraw/zinc/26/85/65/491268565.db2.gz MDXDYWKBBTUFPX-WBVHZDCISA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000555730875 491268566 /nfs/dbraw/zinc/26/85/66/491268566.db2.gz MDXDYWKBBTUFPX-WBVHZDCISA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000555730875 491268567 /nfs/dbraw/zinc/26/85/67/491268567.db2.gz MDXDYWKBBTUFPX-WBVHZDCISA-N 2 1 366.506 0.226 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417362057 489649425 /nfs/dbraw/zinc/64/94/25/489649425.db2.gz DIXCMVRKEARCFD-IRXDYDNUSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C[C@@H](C)O1 ZINC000457570696 489649491 /nfs/dbraw/zinc/64/94/91/489649491.db2.gz HMVLLZRIKJAVOZ-ZACQAIPSSA-N 2 1 356.511 0.632 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587749 489650070 /nfs/dbraw/zinc/65/00/70/489650070.db2.gz BTZHVGRGZRJABX-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457587749 489650071 /nfs/dbraw/zinc/65/00/71/489650071.db2.gz BTZHVGRGZRJABX-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCOCC1 ZINC000457589332 489650440 /nfs/dbraw/zinc/65/04/40/489650440.db2.gz DATPORWRXWKUCA-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCOCC1 ZINC000457589332 489650443 /nfs/dbraw/zinc/65/04/43/489650443.db2.gz DATPORWRXWKUCA-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620286 489651396 /nfs/dbraw/zinc/65/13/96/489651396.db2.gz PMWNKYHUHXLOMF-QZTJIDSGSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620283 489651659 /nfs/dbraw/zinc/65/16/59/489651659.db2.gz PMWNKYHUHXLOMF-MSOLQXFVSA-N 2 1 369.554 0.404 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417425993 489651654 /nfs/dbraw/zinc/65/16/54/489651654.db2.gz FNWNZTRKNSXSBO-NXOAAHMSSA-N 2 1 365.522 0.616 20 0 FCADMP CCOC1CC(CNC(=O)N(C)CC[N@@H+](C)C2CC2)(N2CCOCC2)C1 ZINC000372977632 489658152 /nfs/dbraw/zinc/65/81/52/489658152.db2.gz TUWZUWDQTYPEDK-UHFFFAOYSA-N 2 1 368.522 0.992 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000417710350 489662340 /nfs/dbraw/zinc/66/23/40/489662340.db2.gz PIFCYPHQBKQNHK-LSDHHAIUSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417740572 489663501 /nfs/dbraw/zinc/66/35/01/489663501.db2.gz ZXQVJQQXYCLWDT-WMZOPIPTSA-N 2 1 361.490 0.566 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417804755 489666013 /nfs/dbraw/zinc/66/60/13/489666013.db2.gz ZLDWMPKITJJHBK-IAGOWNOFSA-N 2 1 365.522 0.747 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000563804474 491270189 /nfs/dbraw/zinc/27/01/89/491270189.db2.gz OJVLPDNXUCEYMF-NCOADZHNSA-N 2 1 366.506 0.284 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458193290 489673540 /nfs/dbraw/zinc/67/35/40/489673540.db2.gz FPGCPXRHDCMVGD-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458193290 489673542 /nfs/dbraw/zinc/67/35/42/489673542.db2.gz FPGCPXRHDCMVGD-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458193290 489673544 /nfs/dbraw/zinc/67/35/44/489673544.db2.gz FPGCPXRHDCMVGD-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000417993665 489674695 /nfs/dbraw/zinc/67/46/95/489674695.db2.gz AUGGKTLCNGUJIM-FRRDWIJNSA-N 2 1 351.417 0.604 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433291 489682783 /nfs/dbraw/zinc/68/27/83/489682783.db2.gz IYGBASUTYMPXNW-DLBZAZTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433291 489682784 /nfs/dbraw/zinc/68/27/84/489682784.db2.gz IYGBASUTYMPXNW-DLBZAZTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433291 489682786 /nfs/dbraw/zinc/68/27/86/489682786.db2.gz IYGBASUTYMPXNW-DLBZAZTESA-N 2 1 351.539 0.996 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418190964 489684142 /nfs/dbraw/zinc/68/41/42/489684142.db2.gz XAXUWWFTYTWXRP-UONOGXRCSA-N 2 1 365.444 0.996 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000555754709 491271111 /nfs/dbraw/zinc/27/11/11/491271111.db2.gz KRKIKAZPSRCGNS-CALCHBBNSA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418197687 489684396 /nfs/dbraw/zinc/68/43/96/489684396.db2.gz JXMPQBDMHIDSTD-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418197687 489684399 /nfs/dbraw/zinc/68/43/99/489684399.db2.gz JXMPQBDMHIDSTD-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462161 489684508 /nfs/dbraw/zinc/68/45/08/489684508.db2.gz PUDOTNVYGKRZEH-ZWKOTPCHSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462161 489684509 /nfs/dbraw/zinc/68/45/09/489684509.db2.gz PUDOTNVYGKRZEH-ZWKOTPCHSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462161 489684512 /nfs/dbraw/zinc/68/45/12/489684512.db2.gz PUDOTNVYGKRZEH-ZWKOTPCHSA-N 2 1 369.554 0.406 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212067 489685058 /nfs/dbraw/zinc/68/50/58/489685058.db2.gz ZJRLCNDDAVFJMR-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000418289101 489688611 /nfs/dbraw/zinc/68/86/11/489688611.db2.gz OAGOVCZFQCAGPI-KSZLIROESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000418289101 489688615 /nfs/dbraw/zinc/68/86/15/489688615.db2.gz OAGOVCZFQCAGPI-KSZLIROESA-N 2 1 367.538 0.565 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000418337866 489692799 /nfs/dbraw/zinc/69/27/99/489692799.db2.gz KHHVKXCFXHUPBV-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000418337866 489692801 /nfs/dbraw/zinc/69/28/01/489692801.db2.gz KHHVKXCFXHUPBV-INIZCTEOSA-N 2 1 353.511 0.572 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418337868 489692941 /nfs/dbraw/zinc/69/29/41/489692941.db2.gz KHHVKXCFXHUPBV-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418337868 489692945 /nfs/dbraw/zinc/69/29/45/489692945.db2.gz KHHVKXCFXHUPBV-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418359609 489693513 /nfs/dbraw/zinc/69/35/13/489693513.db2.gz ANMTYMCDFYKTQJ-DLBZAZTESA-N 2 1 355.527 0.278 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418483389 489700860 /nfs/dbraw/zinc/70/08/60/489700860.db2.gz CDDCJSZXIWYGKP-MSOLQXFVSA-N 2 1 364.490 0.405 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418541801 489706153 /nfs/dbraw/zinc/70/61/53/489706153.db2.gz QZESEQSXUXXCBL-GJZGRUSLSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418541801 489706154 /nfs/dbraw/zinc/70/61/54/489706154.db2.gz QZESEQSXUXXCBL-GJZGRUSLSA-N 2 1 356.417 0.763 20 0 FCADMP CCc1nnc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)[nH]1 ZINC000458883561 489706493 /nfs/dbraw/zinc/70/64/93/489706493.db2.gz CIAFUWGKLJRJHE-AWEZNQCLSA-N 2 1 351.499 0.925 20 0 FCADMP CCc1nc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)n[nH]1 ZINC000458883561 489706497 /nfs/dbraw/zinc/70/64/97/489706497.db2.gz CIAFUWGKLJRJHE-AWEZNQCLSA-N 2 1 351.499 0.925 20 0 FCADMP CCc1nc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)n[nH]1 ZINC000458883561 489706502 /nfs/dbraw/zinc/70/65/02/489706502.db2.gz CIAFUWGKLJRJHE-AWEZNQCLSA-N 2 1 351.499 0.925 20 0 FCADMP C[NH2+][C@H](C)CNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418634073 489713520 /nfs/dbraw/zinc/71/35/20/489713520.db2.gz YFXBEWQGNUPBOX-BZUAXINKSA-N 2 1 356.511 0.894 20 0 FCADMP COCC1(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]CC1 ZINC000418636785 489714502 /nfs/dbraw/zinc/71/45/02/489714502.db2.gz IGORHHPVNFMWCV-UHFFFAOYSA-N 2 1 356.511 0.755 20 0 FCADMP COCC1(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH2+]CC1 ZINC000418636785 489714508 /nfs/dbraw/zinc/71/45/08/489714508.db2.gz IGORHHPVNFMWCV-UHFFFAOYSA-N 2 1 356.511 0.755 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132441 489719722 /nfs/dbraw/zinc/71/97/22/489719722.db2.gz IOEYTCHPHMFSDW-YJBOKZPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132439 489719777 /nfs/dbraw/zinc/71/97/77/489719777.db2.gz IOEYTCHPHMFSDW-QAPCUYQASA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000563875248 491274024 /nfs/dbraw/zinc/27/40/24/491274024.db2.gz CITYYSXGSMVLOQ-SFHVURJKSA-N 2 1 373.501 0.679 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418760965 489722835 /nfs/dbraw/zinc/72/28/35/489722835.db2.gz FPZWVYDVFBRJHI-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP COC(=O)[C@@H]([NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C1(OC)CCC1 ZINC000459357521 489728922 /nfs/dbraw/zinc/72/89/22/489728922.db2.gz JZMZVUDTYAMFMH-OAHLLOKOSA-N 2 1 355.479 0.487 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459379932 489730101 /nfs/dbraw/zinc/73/01/01/489730101.db2.gz YOHDUDXEHNVEEA-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@H]1NC(=O)N(CC[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000459467809 489733858 /nfs/dbraw/zinc/73/38/58/489733858.db2.gz QJIXYEOGXUBEFA-QGZVFWFLSA-N 2 1 373.501 0.676 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418825163 489739906 /nfs/dbraw/zinc/73/99/06/489739906.db2.gz UBZSPQYLIUSATH-DYEKYZERSA-N 2 1 351.451 0.173 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000418825580 489740952 /nfs/dbraw/zinc/74/09/52/489740952.db2.gz ACOPYKAIVWLBCU-KBMXLJTQSA-N 2 1 360.458 0.234 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000418828179 489741999 /nfs/dbraw/zinc/74/19/99/489741999.db2.gz CTWWMODIYDTXLY-INIZCTEOSA-N 2 1 362.474 0.611 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000418829530 489743225 /nfs/dbraw/zinc/74/32/25/489743225.db2.gz HCGQUCRMUFACJB-BZUAXINKSA-N 2 1 362.474 0.976 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418831028 489744309 /nfs/dbraw/zinc/74/43/09/489744309.db2.gz KDBHGAJWCVUJRO-OAHLLOKOSA-N 2 1 352.479 0.006 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562837 489746419 /nfs/dbraw/zinc/74/64/19/489746419.db2.gz GPCPEXLMBUUMLI-JKSUJKDBSA-N 2 1 367.538 0.105 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562837 489746421 /nfs/dbraw/zinc/74/64/21/489746421.db2.gz GPCPEXLMBUUMLI-JKSUJKDBSA-N 2 1 367.538 0.105 20 0 FCADMP CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000430566470 489747546 /nfs/dbraw/zinc/74/75/46/489747546.db2.gz BWRRYUFOWNYEJE-SFHVURJKSA-N 2 1 362.474 0.420 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418838394 489748950 /nfs/dbraw/zinc/74/89/50/489748950.db2.gz VEKMYEAMCKEIIE-HOTGVXAUSA-N 2 1 362.474 0.989 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000430602103 489750300 /nfs/dbraw/zinc/75/03/00/489750300.db2.gz GFPLQPTUMQBXLU-CHWSQXEVSA-N 2 1 364.412 0.574 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n(C(C)(C)C)n1 ZINC000430604424 489751189 /nfs/dbraw/zinc/75/11/89/489751189.db2.gz NDQHCMLJBZHXCJ-CQSZACIVSA-N 2 1 364.494 0.672 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n(C(C)(C)C)n1 ZINC000430604424 489751194 /nfs/dbraw/zinc/75/11/94/489751194.db2.gz NDQHCMLJBZHXCJ-CQSZACIVSA-N 2 1 364.494 0.672 20 0 FCADMP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608214 489752130 /nfs/dbraw/zinc/75/21/30/489752130.db2.gz DTBFLYKDOFQQFR-ZBFHGGJFSA-N 2 1 362.474 0.487 20 0 FCADMP C[N@@H+](CCC(=O)N1CCc2sccc2C1)CC(=O)N1CC[NH2+]CC1 ZINC000430606613 489752476 /nfs/dbraw/zinc/75/24/76/489752476.db2.gz WXTABJJTEFNMSC-UHFFFAOYSA-N 2 1 350.488 0.387 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430609992 489752577 /nfs/dbraw/zinc/75/25/77/489752577.db2.gz JGNDXZMZRNZCTL-SJLPKXTDSA-N 2 1 358.486 0.967 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418842044 489752590 /nfs/dbraw/zinc/75/25/90/489752590.db2.gz HEFGVFZFFFGQQL-SFHVURJKSA-N 2 1 356.470 0.803 20 0 FCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613388 489753369 /nfs/dbraw/zinc/75/33/69/489753369.db2.gz WGPHWRHEXHPBHC-IKGGRYGDSA-N 2 1 368.522 0.485 20 0 FCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430613389 489753806 /nfs/dbraw/zinc/75/38/06/489753806.db2.gz WGPHWRHEXHPBHC-IXDOHACOSA-N 2 1 368.522 0.485 20 0 FCADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618295 489754891 /nfs/dbraw/zinc/75/48/91/489754891.db2.gz SOFXRLAWFRVHLA-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[C@@H]1C ZINC000376569687 489755297 /nfs/dbraw/zinc/75/52/97/489755297.db2.gz HOVXZGOSZIYZCC-XDNAFOTISA-N 2 1 353.507 0.960 20 0 FCADMP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617447 489755408 /nfs/dbraw/zinc/75/54/08/489755408.db2.gz MSMGZZKFMAVGFD-LBPRGKRZSA-N 2 1 350.385 0.151 20 0 FCADMP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617447 489755410 /nfs/dbraw/zinc/75/54/10/489755410.db2.gz MSMGZZKFMAVGFD-LBPRGKRZSA-N 2 1 350.385 0.151 20 0 FCADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622552 489756274 /nfs/dbraw/zinc/75/62/74/489756274.db2.gz FQWHGMYWSHLKCS-UONOGXRCSA-N 2 1 373.457 0.147 20 0 FCADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430622552 489756278 /nfs/dbraw/zinc/75/62/78/489756278.db2.gz FQWHGMYWSHLKCS-UONOGXRCSA-N 2 1 373.457 0.147 20 0 FCADMP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430620570 489756546 /nfs/dbraw/zinc/75/65/46/489756546.db2.gz IGMUUYLCUYSCGA-CQSZACIVSA-N 2 1 369.487 0.256 20 0 FCADMP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430620570 489756547 /nfs/dbraw/zinc/75/65/47/489756547.db2.gz IGMUUYLCUYSCGA-CQSZACIVSA-N 2 1 369.487 0.256 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC([NH3+])CC1 ZINC000430627004 489757625 /nfs/dbraw/zinc/75/76/25/489757625.db2.gz LQGJDMOGPYMHMH-MRXNPFEDSA-N 2 1 360.502 0.947 20 0 FCADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430626343 489757769 /nfs/dbraw/zinc/75/77/69/489757769.db2.gz LYBIXURDKOITML-UHFFFAOYSA-N 2 1 352.866 0.710 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630641 489757986 /nfs/dbraw/zinc/75/79/86/489757986.db2.gz RSUITSAAGGAYJT-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430633877 489759073 /nfs/dbraw/zinc/75/90/73/489759073.db2.gz CIDMAFATPCBHNP-CQSZACIVSA-N 2 1 369.487 0.256 20 0 FCADMP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430633877 489759075 /nfs/dbraw/zinc/75/90/75/489759075.db2.gz CIDMAFATPCBHNP-CQSZACIVSA-N 2 1 369.487 0.256 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000418855599 489759366 /nfs/dbraw/zinc/75/93/66/489759366.db2.gz VEAUXAURIDSLRV-GOEBONIOSA-N 2 1 364.490 0.904 20 0 FCADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641199 489760517 /nfs/dbraw/zinc/76/05/17/489760517.db2.gz IHBGYGPVOVKCBM-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642958 489761839 /nfs/dbraw/zinc/76/18/39/489761839.db2.gz WCFLZMXNHMCZTL-OAHLLOKOSA-N 2 1 364.515 0.850 20 0 FCADMP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430643776 489762221 /nfs/dbraw/zinc/76/22/21/489762221.db2.gz SFVHUUUQUGMXSS-CYBMUJFWSA-N 2 1 365.503 0.075 20 0 FCADMP CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430643776 489762224 /nfs/dbraw/zinc/76/22/24/489762224.db2.gz SFVHUUUQUGMXSS-CYBMUJFWSA-N 2 1 365.503 0.075 20 0 FCADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645609 489762408 /nfs/dbraw/zinc/76/24/08/489762408.db2.gz VDZPYCDLHMDHBY-NEPJUHHUSA-N 2 1 353.854 0.849 20 0 FCADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645609 489762414 /nfs/dbraw/zinc/76/24/14/489762414.db2.gz VDZPYCDLHMDHBY-NEPJUHHUSA-N 2 1 353.854 0.849 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418863726 489764025 /nfs/dbraw/zinc/76/40/25/489764025.db2.gz PQXHNWGORLPZSX-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472355 489765396 /nfs/dbraw/zinc/76/53/96/489765396.db2.gz NVBPVBXDCHMXOA-IRXDYDNUSA-N 2 1 353.511 0.665 20 0 FCADMP COCC[C@]1(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC[NH2+]C1 ZINC000430795535 489771468 /nfs/dbraw/zinc/77/14/68/489771468.db2.gz GYYSLWZXZDWJMV-GOSISDBHSA-N 2 1 362.478 0.207 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418879948 489772741 /nfs/dbraw/zinc/77/27/41/489772741.db2.gz OFWMGQWICXTCLM-HZPDHXFCSA-N 2 1 356.511 0.435 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418881708 489773115 /nfs/dbraw/zinc/77/31/15/489773115.db2.gz RNLUPBUESNESPF-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418883349 489774327 /nfs/dbraw/zinc/77/43/27/489774327.db2.gz UZSHUKHEUVYPOY-MSOLQXFVSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000376725414 489784637 /nfs/dbraw/zinc/78/46/37/489784637.db2.gz BFYGBVMRRWFNMR-YYIAUSFCSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H](C)O1 ZINC000376725414 489784643 /nfs/dbraw/zinc/78/46/43/489784643.db2.gz BFYGBVMRRWFNMR-YYIAUSFCSA-N 2 1 354.495 0.648 20 0 FCADMP Cc1c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000431042114 489786544 /nfs/dbraw/zinc/78/65/44/489786544.db2.gz CRBHNYKZKWOJEP-ZDUSSCGKSA-N 2 1 350.467 0.209 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459913721 489789537 /nfs/dbraw/zinc/78/95/37/489789537.db2.gz WWFPYGVIJMJNGY-INIZCTEOSA-N 2 1 370.538 0.336 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459913721 489789543 /nfs/dbraw/zinc/78/95/43/489789543.db2.gz WWFPYGVIJMJNGY-INIZCTEOSA-N 2 1 370.538 0.336 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000459913818 489789693 /nfs/dbraw/zinc/78/96/93/489789693.db2.gz XJNYFZREEACMIL-UHFFFAOYSA-N 2 1 370.538 0.338 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000418928348 489793782 /nfs/dbraw/zinc/79/37/82/489793782.db2.gz VGMJCLIDQDGDRK-KRWDZBQOSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000459924225 489794874 /nfs/dbraw/zinc/79/48/74/489794874.db2.gz VKTSORXAAWOGPC-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000459924225 489794876 /nfs/dbraw/zinc/79/48/76/489794876.db2.gz VKTSORXAAWOGPC-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC[NH+]1CCOC ZINC000459924225 489794880 /nfs/dbraw/zinc/79/48/80/489794880.db2.gz VKTSORXAAWOGPC-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC[NH+]1CCOC ZINC000459924225 489794883 /nfs/dbraw/zinc/79/48/83/489794883.db2.gz VKTSORXAAWOGPC-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418937176 489796257 /nfs/dbraw/zinc/79/62/57/489796257.db2.gz FRFCJBMAUJOMJY-GDBMZVCRSA-N 2 1 362.474 0.464 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298275 489800289 /nfs/dbraw/zinc/80/02/89/489800289.db2.gz TVYYDTYQQSAQBA-RDJZCZTQSA-N 2 1 365.522 0.761 20 0 FCADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000431373686 489803193 /nfs/dbraw/zinc/80/31/93/489803193.db2.gz CXPOANDFRXSNIE-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000418955612 489803345 /nfs/dbraw/zinc/80/33/45/489803345.db2.gz XZJMDZNRMSLZHW-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418970102 489807603 /nfs/dbraw/zinc/80/76/03/489807603.db2.gz WCHDMDIFSBTAKO-GZIXRCOHSA-N 2 1 362.449 0.678 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000459995463 489811344 /nfs/dbraw/zinc/81/13/44/489811344.db2.gz OIEMYZBUDFXGDC-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000459995463 489811347 /nfs/dbraw/zinc/81/13/47/489811347.db2.gz OIEMYZBUDFXGDC-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000459995463 489811350 /nfs/dbraw/zinc/81/13/50/489811350.db2.gz OIEMYZBUDFXGDC-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459997185 489813157 /nfs/dbraw/zinc/81/31/57/489813157.db2.gz SIZNQBWBISPAKX-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000459997770 489813445 /nfs/dbraw/zinc/81/34/45/489813445.db2.gz UDZYACVWAPLRAF-ZWKOTPCHSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459997770 489813447 /nfs/dbraw/zinc/81/34/47/489813447.db2.gz UDZYACVWAPLRAF-ZWKOTPCHSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997770 489813451 /nfs/dbraw/zinc/81/34/51/489813451.db2.gz UDZYACVWAPLRAF-ZWKOTPCHSA-N 2 1 364.534 0.977 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419005834 489815042 /nfs/dbraw/zinc/81/50/42/489815042.db2.gz RUYBNMBCXXVZMC-KRWDZBQOSA-N 2 1 362.474 0.119 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419018705 489819574 /nfs/dbraw/zinc/81/95/74/489819574.db2.gz PNRULMRKGAZNGB-UHFFFAOYSA-N 2 1 354.401 0.609 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419023945 489822651 /nfs/dbraw/zinc/82/26/51/489822651.db2.gz KMIDDWJGBBIBSF-FQESAXDCSA-N 2 1 364.534 0.973 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033138 489826194 /nfs/dbraw/zinc/82/61/94/489826194.db2.gz XVBHSRQTLUWIKS-CVEARBPZSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419034209 489827808 /nfs/dbraw/zinc/82/78/08/489827808.db2.gz DITGMQYADMTMGP-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N(C)CC[NH+](C)C3CC3)CC2)CCO1 ZINC000460047561 489831770 /nfs/dbraw/zinc/83/17/70/489831770.db2.gz FWYYVVMRBKQANE-OAHLLOKOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)CC2)CCO1 ZINC000460047561 489831773 /nfs/dbraw/zinc/83/17/73/489831773.db2.gz FWYYVVMRBKQANE-OAHLLOKOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)CC2)CCO1 ZINC000460047561 489831776 /nfs/dbraw/zinc/83/17/76/489831776.db2.gz FWYYVVMRBKQANE-OAHLLOKOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419046334 489833187 /nfs/dbraw/zinc/83/31/87/489833187.db2.gz PRDZBCMMBVANLY-DJIMGWMZSA-N 2 1 360.458 0.043 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419047957 489834417 /nfs/dbraw/zinc/83/44/17/489834417.db2.gz UTRJNKGHZAZSOE-HYVNUMGLSA-N 2 1 360.458 0.124 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419062871 489839850 /nfs/dbraw/zinc/83/98/50/489839850.db2.gz HGNYEUYLYKUFAW-ZNMIVQPWSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419062871 489839853 /nfs/dbraw/zinc/83/98/53/489839853.db2.gz HGNYEUYLYKUFAW-ZNMIVQPWSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064878 489841100 /nfs/dbraw/zinc/84/11/00/489841100.db2.gz CQQIMNFMIGNSDP-QAPCUYQASA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064878 489841103 /nfs/dbraw/zinc/84/11/03/489841103.db2.gz CQQIMNFMIGNSDP-QAPCUYQASA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419082619 489849541 /nfs/dbraw/zinc/84/95/41/489849541.db2.gz JNRFSTKVJKBIQK-ZJIFWQFVSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H](C)O1 ZINC000419087293 489851376 /nfs/dbraw/zinc/85/13/76/489851376.db2.gz PDVXWSVGKKFBQS-YJNKXOJESA-N 2 1 354.495 0.186 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000419089508 489852727 /nfs/dbraw/zinc/85/27/27/489852727.db2.gz TXLKMUICLHDZMZ-KBPBESRZSA-N 2 1 356.511 0.434 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[nH+]c1 ZINC000419097025 489853946 /nfs/dbraw/zinc/85/39/46/489853946.db2.gz MTCMAJQSEPXGGH-ARFHVFGLSA-N 2 1 359.474 0.894 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[nH+]c1 ZINC000419101044 489855996 /nfs/dbraw/zinc/85/59/96/489855996.db2.gz QHENANLJWAVETB-UHFFFAOYSA-N 2 1 367.453 1.228 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000460250701 489858026 /nfs/dbraw/zinc/85/80/26/489858026.db2.gz LDNDLCSHTWZOHM-SFHVURJKSA-N 2 1 350.463 0.493 20 0 FCADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000460279168 489861407 /nfs/dbraw/zinc/86/14/07/489861407.db2.gz FAIXBONTAPJICV-GOSISDBHSA-N 2 1 368.570 0.291 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000476028677 489862258 /nfs/dbraw/zinc/86/22/58/489862258.db2.gz CUQCHPJBTUXOEF-QGZVFWFLSA-N 2 1 356.511 0.896 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419122786 489867281 /nfs/dbraw/zinc/86/72/81/489867281.db2.gz URCAKYUWPINWMR-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419123102 489867518 /nfs/dbraw/zinc/86/75/18/489867518.db2.gz VDIWOKFKMZEZJT-CVEARBPZSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206823 489872375 /nfs/dbraw/zinc/87/23/75/489872375.db2.gz IMLDODVADLGZIP-IAGOWNOFSA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206823 489872381 /nfs/dbraw/zinc/87/23/81/489872381.db2.gz IMLDODVADLGZIP-IAGOWNOFSA-N 2 1 373.563 0.649 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)[C@@H]2CCCSC2)C1 ZINC000433206823 489872385 /nfs/dbraw/zinc/87/23/85/489872385.db2.gz IMLDODVADLGZIP-IAGOWNOFSA-N 2 1 373.563 0.649 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC1=CC[NH+](C)CC1)C2 ZINC000377256693 489875750 /nfs/dbraw/zinc/87/57/50/489875750.db2.gz UBLGIFUCAGHQTN-ALOPSCKCSA-N 2 1 363.506 0.631 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC1=CC[N@H+](C)CC1)C2 ZINC000377256693 489875756 /nfs/dbraw/zinc/87/57/56/489875756.db2.gz UBLGIFUCAGHQTN-ALOPSCKCSA-N 2 1 363.506 0.631 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC1=CC[N@@H+](C)CC1)C2 ZINC000377256693 489875759 /nfs/dbraw/zinc/87/57/59/489875759.db2.gz UBLGIFUCAGHQTN-ALOPSCKCSA-N 2 1 363.506 0.631 20 0 FCADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000476243774 489876559 /nfs/dbraw/zinc/87/65/59/489876559.db2.gz DQJASUQGNJQIHF-CQSZACIVSA-N 2 1 364.494 0.762 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433334986 489876628 /nfs/dbraw/zinc/87/66/28/489876628.db2.gz JQIIVYMRRSPVPL-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013518 489880569 /nfs/dbraw/zinc/88/05/69/489880569.db2.gz JDYZSFHEGOIDTD-HZPDHXFCSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000433383834 489880706 /nfs/dbraw/zinc/88/07/06/489880706.db2.gz UMYRCTCJZWPWHJ-ZNMIVQPWSA-N 2 1 350.467 0.432 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433420894 489882228 /nfs/dbraw/zinc/88/22/28/489882228.db2.gz GZHQMYHGRDRXHR-LSDHHAIUSA-N 2 1 350.467 0.289 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420023537 489884432 /nfs/dbraw/zinc/88/44/32/489884432.db2.gz APYFMTBDZPXELU-RBSFLKMASA-N 2 1 354.495 0.310 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000420030898 489887302 /nfs/dbraw/zinc/88/73/02/489887302.db2.gz QJDCRBCZRJNIBT-INIZCTEOSA-N 2 1 358.486 0.965 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420041758 489891107 /nfs/dbraw/zinc/89/11/07/489891107.db2.gz QAQFBXOOZLTSKW-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420041758 489891108 /nfs/dbraw/zinc/89/11/08/489891108.db2.gz QAQFBXOOZLTSKW-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000461381442 489907638 /nfs/dbraw/zinc/90/76/38/489907638.db2.gz NLCFJMNIPIUKPG-BGYRXZFFSA-N 2 1 364.486 0.853 20 0 FCADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000461381442 489907643 /nfs/dbraw/zinc/90/76/43/489907643.db2.gz NLCFJMNIPIUKPG-BGYRXZFFSA-N 2 1 364.486 0.853 20 0 FCADMP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000461381442 489907648 /nfs/dbraw/zinc/90/76/48/489907648.db2.gz NLCFJMNIPIUKPG-BGYRXZFFSA-N 2 1 364.486 0.853 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420099749 489912271 /nfs/dbraw/zinc/91/22/71/489912271.db2.gz YPZNKKRLMMGZJG-IYBDPMFKSA-N 2 1 365.522 0.001 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000420141832 489928625 /nfs/dbraw/zinc/92/86/25/489928625.db2.gz ZORRNDGOLHVASW-LSDHHAIUSA-N 2 1 364.515 0.692 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477036537 489934434 /nfs/dbraw/zinc/93/44/34/489934434.db2.gz UMYLOMRMVIHCOQ-ARFHVFGLSA-N 2 1 370.538 0.837 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000420160016 489936638 /nfs/dbraw/zinc/93/66/38/489936638.db2.gz DDEWBKZGTALPTN-KRWDZBQOSA-N 2 1 366.506 0.372 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000420160016 489936641 /nfs/dbraw/zinc/93/66/41/489936641.db2.gz DDEWBKZGTALPTN-KRWDZBQOSA-N 2 1 366.506 0.372 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420173585 489939508 /nfs/dbraw/zinc/93/95/08/489939508.db2.gz XKHUUXZEYKVUKS-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420173585 489939511 /nfs/dbraw/zinc/93/95/11/489939511.db2.gz XKHUUXZEYKVUKS-LSDHHAIUSA-N 2 1 368.522 0.184 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477081554 489939760 /nfs/dbraw/zinc/93/97/60/489939760.db2.gz LZFKVAQKKCEDNZ-HRCADAONSA-N 2 1 356.511 0.448 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420175569 489940803 /nfs/dbraw/zinc/94/08/03/489940803.db2.gz OHLVYRGXHYUJMA-UHFFFAOYSA-N 2 1 360.449 0.811 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420175569 489940807 /nfs/dbraw/zinc/94/08/07/489940807.db2.gz OHLVYRGXHYUJMA-UHFFFAOYSA-N 2 1 360.449 0.811 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000420187465 489945107 /nfs/dbraw/zinc/94/51/07/489945107.db2.gz RJQYUFNLNALNFN-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420207297 489953222 /nfs/dbraw/zinc/95/32/22/489953222.db2.gz UGADWZSMYUSETN-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477263248 489954244 /nfs/dbraw/zinc/95/42/44/489954244.db2.gz JMGQKTKYOBOVRP-MAUKXSAKSA-N 2 1 356.511 0.308 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000377772734 489956230 /nfs/dbraw/zinc/95/62/30/489956230.db2.gz QFSJJKKLBBDTPP-SFHVURJKSA-N 2 1 368.522 0.851 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[NH+]2CCSCC2)([NH+](C)C)C1 ZINC000477305291 489957046 /nfs/dbraw/zinc/95/70/46/489957046.db2.gz YOANOIPXDJJIFW-QAPCUYQASA-N 2 1 370.563 0.778 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000462142335 489960389 /nfs/dbraw/zinc/96/03/89/489960389.db2.gz UQTSUGFIBZCXKL-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC12CCOCC2 ZINC000420319522 489962587 /nfs/dbraw/zinc/96/25/87/489962587.db2.gz AKGMOCHQRZBUFL-AWEZNQCLSA-N 2 1 352.479 0.832 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC12CCOCC2 ZINC000420319522 489962590 /nfs/dbraw/zinc/96/25/90/489962590.db2.gz AKGMOCHQRZBUFL-AWEZNQCLSA-N 2 1 352.479 0.832 20 0 FCADMP Cc1cccc2nc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000420320206 489962950 /nfs/dbraw/zinc/96/29/50/489962950.db2.gz YNRPMUZLRSRPQV-MRXNPFEDSA-N 2 1 357.458 0.822 20 0 FCADMP Cc1cccc2nc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc(=O)n12 ZINC000420320206 489962951 /nfs/dbraw/zinc/96/29/51/489962951.db2.gz YNRPMUZLRSRPQV-MRXNPFEDSA-N 2 1 357.458 0.822 20 0 FCADMP NC(=O)CCN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000420329374 489963747 /nfs/dbraw/zinc/96/37/47/489963747.db2.gz GMYBWGRXEBEYBH-GASCZTMLSA-N 2 1 362.449 0.966 20 0 FCADMP c1cc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc2c1OCO2 ZINC000420347574 489965360 /nfs/dbraw/zinc/96/53/60/489965360.db2.gz HKMKFZLZIXWGLL-CQSZACIVSA-N 2 1 357.414 0.945 20 0 FCADMP c1cc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc2c1OCO2 ZINC000420347574 489965361 /nfs/dbraw/zinc/96/53/61/489965361.db2.gz HKMKFZLZIXWGLL-CQSZACIVSA-N 2 1 357.414 0.945 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(Cl)c1 ZINC000420347299 489965915 /nfs/dbraw/zinc/96/59/15/489965915.db2.gz GJUCDWFXAOCGEQ-MRXNPFEDSA-N 2 1 366.893 0.815 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCOc1cccc(Cl)c1 ZINC000420347299 489965918 /nfs/dbraw/zinc/96/59/18/489965918.db2.gz GJUCDWFXAOCGEQ-MRXNPFEDSA-N 2 1 366.893 0.815 20 0 FCADMP CCOc1ccc(OCCNC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420403611 489972594 /nfs/dbraw/zinc/97/25/94/489972594.db2.gz LOXMGKBNHBPTIU-UHFFFAOYSA-N 2 1 351.447 0.366 20 0 FCADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412573 489973236 /nfs/dbraw/zinc/97/32/36/489973236.db2.gz YVOMOQFNOGTNPR-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412573 489973240 /nfs/dbraw/zinc/97/32/40/489973240.db2.gz YVOMOQFNOGTNPR-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556076671 491292310 /nfs/dbraw/zinc/29/23/10/491292310.db2.gz SUWOHAHNAKTLDO-QGZVFWFLSA-N 2 1 371.485 0.515 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477618009 489977146 /nfs/dbraw/zinc/97/71/46/489977146.db2.gz UDICLTZLEKHQPR-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000477618009 489977151 /nfs/dbraw/zinc/97/71/51/489977151.db2.gz UDICLTZLEKHQPR-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000477639273 489980410 /nfs/dbraw/zinc/98/04/10/489980410.db2.gz FBMQASONTLJSMC-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477652913 489981927 /nfs/dbraw/zinc/98/19/27/489981927.db2.gz OCNZPOISDNADIW-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n(C)c1C ZINC000462793185 489992607 /nfs/dbraw/zinc/99/26/07/489992607.db2.gz YXCGXCIDDCKITB-CQSZACIVSA-N 2 1 350.463 0.797 20 0 FCADMP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)n(C)c1C ZINC000462793185 489992610 /nfs/dbraw/zinc/99/26/10/489992610.db2.gz YXCGXCIDDCKITB-CQSZACIVSA-N 2 1 350.463 0.797 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420785905 490022248 /nfs/dbraw/zinc/02/22/48/490022248.db2.gz AZKKDQQULSLLBM-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420785905 490022250 /nfs/dbraw/zinc/02/22/50/490022250.db2.gz AZKKDQQULSLLBM-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420801333 490022863 /nfs/dbraw/zinc/02/28/63/490022863.db2.gz KHHDBSMAQMNVLP-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378316235 490047334 /nfs/dbraw/zinc/04/73/34/490047334.db2.gz NGQKWRDORYYKCN-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378322098 490050189 /nfs/dbraw/zinc/05/01/89/490050189.db2.gz ZYKXVLZAYZQGRP-FQEVSTJZSA-N 2 1 372.513 0.649 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061400 490066094 /nfs/dbraw/zinc/06/60/94/490066094.db2.gz ROELBQQQTDYZMM-STQMWFEESA-N 2 1 354.476 0.722 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000464955940 490074317 /nfs/dbraw/zinc/07/43/17/490074317.db2.gz ZMJDAJBOANARQZ-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000464955940 490074325 /nfs/dbraw/zinc/07/43/25/490074325.db2.gz ZMJDAJBOANARQZ-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000464955940 490074328 /nfs/dbraw/zinc/07/43/28/490074328.db2.gz ZMJDAJBOANARQZ-HOTGVXAUSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955941 490074353 /nfs/dbraw/zinc/07/43/53/490074353.db2.gz ZMJDAJBOANARQZ-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955941 490074357 /nfs/dbraw/zinc/07/43/57/490074357.db2.gz ZMJDAJBOANARQZ-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000464955941 490074363 /nfs/dbraw/zinc/07/43/63/490074363.db2.gz ZMJDAJBOANARQZ-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000545171029 490090390 /nfs/dbraw/zinc/09/03/90/490090390.db2.gz GRWWPKIHEPFEEK-FQEVSTJZSA-N 2 1 374.485 0.446 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000519822495 490091388 /nfs/dbraw/zinc/09/13/88/490091388.db2.gz XOVAQOCPYLSTIU-KSZLIROESA-N 2 1 356.470 0.050 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000519822495 490091389 /nfs/dbraw/zinc/09/13/89/490091389.db2.gz XOVAQOCPYLSTIU-KSZLIROESA-N 2 1 356.470 0.050 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000496393494 490116104 /nfs/dbraw/zinc/11/61/04/490116104.db2.gz IOTVRORBUDCGCT-KRWDZBQOSA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000571320111 491300439 /nfs/dbraw/zinc/30/04/39/491300439.db2.gz DPMCVRRLJMAKNT-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000556174404 491300521 /nfs/dbraw/zinc/30/05/21/491300521.db2.gz KWOOOLDALSSJFU-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000556174404 491300523 /nfs/dbraw/zinc/30/05/23/491300523.db2.gz KWOOOLDALSSJFU-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000556174404 491300525 /nfs/dbraw/zinc/30/05/25/491300525.db2.gz KWOOOLDALSSJFU-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC000422025904 490128112 /nfs/dbraw/zinc/12/81/12/490128112.db2.gz SSTUBAXTBNLSIK-SFHVURJKSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC000422025904 490128116 /nfs/dbraw/zinc/12/81/16/490128116.db2.gz SSTUBAXTBNLSIK-SFHVURJKSA-N 2 1 352.523 0.726 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000465554563 490130349 /nfs/dbraw/zinc/13/03/49/490130349.db2.gz YJCHVAIAFAYANQ-GDBMZVCRSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000465554563 490130354 /nfs/dbraw/zinc/13/03/54/490130354.db2.gz YJCHVAIAFAYANQ-GDBMZVCRSA-N 2 1 353.511 0.759 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569474 490130928 /nfs/dbraw/zinc/13/09/28/490130928.db2.gz NFJKCLJKRBKDDC-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556201252 491302374 /nfs/dbraw/zinc/30/23/74/491302374.db2.gz DCWVACVNGUMQJS-YOEHRIQHSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556201252 491302376 /nfs/dbraw/zinc/30/23/76/491302376.db2.gz DCWVACVNGUMQJS-YOEHRIQHSA-N 2 1 356.536 0.339 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000465840918 490146878 /nfs/dbraw/zinc/14/68/78/490146878.db2.gz KIAHFFAYRDRSGI-IXDOHACOSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000465840918 490146887 /nfs/dbraw/zinc/14/68/87/490146887.db2.gz KIAHFFAYRDRSGI-IXDOHACOSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000465840918 490146894 /nfs/dbraw/zinc/14/68/94/490146894.db2.gz KIAHFFAYRDRSGI-IXDOHACOSA-N 2 1 365.522 0.807 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556206801 491302879 /nfs/dbraw/zinc/30/28/79/491302879.db2.gz NXILGLPPOASTRR-YJBOKZPZSA-N 2 1 370.563 0.634 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480030203 490152061 /nfs/dbraw/zinc/15/20/61/490152061.db2.gz IFSMYNWZHXWBTH-CVEARBPZSA-N 2 1 364.494 0.728 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000465950500 490156649 /nfs/dbraw/zinc/15/66/49/490156649.db2.gz OTGKMFGZCROFOW-QZTJIDSGSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000465950500 490156652 /nfs/dbraw/zinc/15/66/52/490156652.db2.gz OTGKMFGZCROFOW-QZTJIDSGSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000465950500 490156654 /nfs/dbraw/zinc/15/66/54/490156654.db2.gz OTGKMFGZCROFOW-QZTJIDSGSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000506939885 490156821 /nfs/dbraw/zinc/15/68/21/490156821.db2.gz LGVWLBVAHOBVAO-UHFFFAOYSA-N 2 1 369.554 0.814 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000465964757 490158478 /nfs/dbraw/zinc/15/84/78/490158478.db2.gz ZTUURYFJOIAMDU-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000520550292 490162580 /nfs/dbraw/zinc/16/25/80/490162580.db2.gz BQLZYZDNSLFYNS-GEEKYZPCSA-N 2 1 350.507 0.537 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000466097134 490164609 /nfs/dbraw/zinc/16/46/09/490164609.db2.gz CWCMAIGZGZRIGG-INIZCTEOSA-N 2 1 353.511 0.747 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000422115016 490166920 /nfs/dbraw/zinc/16/69/20/490166920.db2.gz MGOZPKOSFBBJGT-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000422120244 490172596 /nfs/dbraw/zinc/17/25/96/490172596.db2.gz PNQLFWCAAOZRHC-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120244 490172600 /nfs/dbraw/zinc/17/26/00/490172600.db2.gz PNQLFWCAAOZRHC-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000422126870 490178191 /nfs/dbraw/zinc/17/81/91/490178191.db2.gz XHERRUPVGZLLAB-HNNXBMFYSA-N 2 1 350.463 0.722 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000571404390 491305471 /nfs/dbraw/zinc/30/54/71/491305471.db2.gz ZSVAPWBZDOBZSJ-IFFAKLHKSA-N 2 1 365.522 0.806 20 0 FCADMP O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000571410324 491306124 /nfs/dbraw/zinc/30/61/24/491306124.db2.gz HXMPIEDXAFUGHP-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355200 491310955 /nfs/dbraw/zinc/31/09/55/491310955.db2.gz POJBVOHARGQIQI-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000507339526 490201194 /nfs/dbraw/zinc/20/11/94/490201194.db2.gz RQUHJRONMCUMHM-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000507339526 490201197 /nfs/dbraw/zinc/20/11/97/490201197.db2.gz RQUHJRONMCUMHM-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP CN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497827641 490220076 /nfs/dbraw/zinc/22/00/76/490220076.db2.gz HOJKPEIAOYEQQP-VPSFDDGASA-N 2 1 365.522 0.840 20 0 FCADMP CN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497827641 490220080 /nfs/dbraw/zinc/22/00/80/490220080.db2.gz HOJKPEIAOYEQQP-VPSFDDGASA-N 2 1 365.522 0.840 20 0 FCADMP CN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000497827641 490220087 /nfs/dbraw/zinc/22/00/87/490220087.db2.gz HOJKPEIAOYEQQP-VPSFDDGASA-N 2 1 365.522 0.840 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000422310819 490249932 /nfs/dbraw/zinc/24/99/32/490249932.db2.gz ONZPQQHSVSVOOJ-CYBMUJFWSA-N 2 1 350.467 0.043 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000422310819 490249936 /nfs/dbraw/zinc/24/99/36/490249936.db2.gz ONZPQQHSVSVOOJ-CYBMUJFWSA-N 2 1 350.467 0.043 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C[NH+]1CCCC1 ZINC000556372809 491312798 /nfs/dbraw/zinc/31/27/98/491312798.db2.gz YRIAYAQYLNYOEC-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422374198 490286245 /nfs/dbraw/zinc/28/62/45/490286245.db2.gz CEEMCSMASCWNIE-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000422374198 490286255 /nfs/dbraw/zinc/28/62/55/490286255.db2.gz CEEMCSMASCWNIE-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CCCO1 ZINC000422374198 490286265 /nfs/dbraw/zinc/28/62/65/490286265.db2.gz CEEMCSMASCWNIE-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000571555500 491315684 /nfs/dbraw/zinc/31/56/84/491315684.db2.gz QCIDNWPJPPCSEV-HNNXBMFYSA-N 2 1 350.507 0.991 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000422456084 490330514 /nfs/dbraw/zinc/33/05/14/490330514.db2.gz PWYKCDNQNYRKIL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000422456084 490330519 /nfs/dbraw/zinc/33/05/19/490330519.db2.gz PWYKCDNQNYRKIL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000422456084 490330530 /nfs/dbraw/zinc/33/05/30/490330530.db2.gz PWYKCDNQNYRKIL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000522035614 490332567 /nfs/dbraw/zinc/33/25/67/490332567.db2.gz BJOBYHCFQMRCIX-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000522035614 490332573 /nfs/dbraw/zinc/33/25/73/490332573.db2.gz BJOBYHCFQMRCIX-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000522035614 490332577 /nfs/dbraw/zinc/33/25/77/490332577.db2.gz BJOBYHCFQMRCIX-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000571600904 491318239 /nfs/dbraw/zinc/31/82/39/491318239.db2.gz MHBMWLSHIDCBEF-KRWDZBQOSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000571600904 491318241 /nfs/dbraw/zinc/31/82/41/491318241.db2.gz MHBMWLSHIDCBEF-KRWDZBQOSA-N 2 1 365.522 0.855 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000483634276 490334075 /nfs/dbraw/zinc/33/40/75/490334075.db2.gz PXQUVSCRRQIUOU-SFHVURJKSA-N 2 1 374.485 0.411 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000498799603 490342749 /nfs/dbraw/zinc/34/27/49/490342749.db2.gz IFNHFRAWYIFUJD-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498799605 490343915 /nfs/dbraw/zinc/34/39/15/490343915.db2.gz IFNHFRAWYIFUJD-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483800773 490345644 /nfs/dbraw/zinc/34/56/44/490345644.db2.gz PRCPTVGSFRCAAY-MRXNPFEDSA-N 2 1 355.527 0.375 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484088 490351153 /nfs/dbraw/zinc/35/11/53/490351153.db2.gz BWIWKBXXKMHBSO-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000422488432 490353327 /nfs/dbraw/zinc/35/33/27/490353327.db2.gz NBJQGEQTKHWOTB-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000483927747 490357984 /nfs/dbraw/zinc/35/79/84/490357984.db2.gz OMMZCKOAQLUKCD-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000483927747 490357992 /nfs/dbraw/zinc/35/79/92/490357992.db2.gz OMMZCKOAQLUKCD-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000483927747 490357998 /nfs/dbraw/zinc/35/79/98/490357998.db2.gz OMMZCKOAQLUKCD-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422496346 490360628 /nfs/dbraw/zinc/36/06/28/490360628.db2.gz TZKWQCPQNHYVQW-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422496346 490360632 /nfs/dbraw/zinc/36/06/32/490360632.db2.gz TZKWQCPQNHYVQW-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422496346 490360640 /nfs/dbraw/zinc/36/06/40/490360640.db2.gz TZKWQCPQNHYVQW-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564686855 491320630 /nfs/dbraw/zinc/32/06/30/491320630.db2.gz JOHMPBQKRYIFHL-XHSDSOJGSA-N 2 1 366.506 0.369 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000564686855 491320631 /nfs/dbraw/zinc/32/06/31/491320631.db2.gz JOHMPBQKRYIFHL-XHSDSOJGSA-N 2 1 366.506 0.369 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000564686855 491320632 /nfs/dbraw/zinc/32/06/32/491320632.db2.gz JOHMPBQKRYIFHL-XHSDSOJGSA-N 2 1 366.506 0.369 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522304791 490368219 /nfs/dbraw/zinc/36/82/19/490368219.db2.gz BTDMYSDMJMJAFY-MRXNPFEDSA-N 2 1 373.505 0.525 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522304791 490368227 /nfs/dbraw/zinc/36/82/27/490368227.db2.gz BTDMYSDMJMJAFY-MRXNPFEDSA-N 2 1 373.505 0.525 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000410993829 490377908 /nfs/dbraw/zinc/37/79/08/490377908.db2.gz ZEZSLOLMPTXESF-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410993829 490377912 /nfs/dbraw/zinc/37/79/12/490377912.db2.gz ZEZSLOLMPTXESF-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410993829 490377920 /nfs/dbraw/zinc/37/79/20/490377920.db2.gz ZEZSLOLMPTXESF-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000484063588 490378449 /nfs/dbraw/zinc/37/84/49/490378449.db2.gz FDFBTFYNLPAHAW-IAGOWNOFSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706648 490424848 /nfs/dbraw/zinc/42/48/48/490424848.db2.gz OAGCWESUNYXMEX-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422631751 490435523 /nfs/dbraw/zinc/43/55/23/490435523.db2.gz FVTJYDSKXDBGSM-FMKPAKJESA-N 2 1 362.474 0.472 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422631751 490435527 /nfs/dbraw/zinc/43/55/27/490435527.db2.gz FVTJYDSKXDBGSM-FMKPAKJESA-N 2 1 362.474 0.472 20 0 FCADMP CC[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](CC)CC ZINC000468835833 490453853 /nfs/dbraw/zinc/45/38/53/490453853.db2.gz FFRXSPMAIVEORK-INIZCTEOSA-N 2 1 364.494 0.716 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000557381306 491371660 /nfs/dbraw/zinc/37/16/60/491371660.db2.gz JPMSFULZKRRLBB-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000509831473 490468683 /nfs/dbraw/zinc/46/86/83/490468683.db2.gz CBKWCCBYCJJWGL-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422765481 490473212 /nfs/dbraw/zinc/47/32/12/490473212.db2.gz WEXOGDBLSRWVKN-JKSUJKDBSA-N 2 1 352.479 0.040 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484874471 490473745 /nfs/dbraw/zinc/47/37/45/490473745.db2.gz DPRICRWDDCMZGM-ARFHVFGLSA-N 2 1 364.490 0.988 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966226 490482755 /nfs/dbraw/zinc/48/27/55/490482755.db2.gz AUPFQMLDAQXUOK-SJLPKXTDSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000484966226 490482762 /nfs/dbraw/zinc/48/27/62/490482762.db2.gz AUPFQMLDAQXUOK-SJLPKXTDSA-N 2 1 360.502 0.804 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422905215 490493765 /nfs/dbraw/zinc/49/37/65/490493765.db2.gz RQUSMHBBXAXVNH-HZPDHXFCSA-N 2 1 354.495 0.333 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915765 490503255 /nfs/dbraw/zinc/50/32/55/490503255.db2.gz KAQMWNAKTJDUFE-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915765 490503259 /nfs/dbraw/zinc/50/32/59/490503259.db2.gz KAQMWNAKTJDUFE-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915765 490503267 /nfs/dbraw/zinc/50/32/67/490503267.db2.gz KAQMWNAKTJDUFE-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676469 490512218 /nfs/dbraw/zinc/51/22/18/490512218.db2.gz NYNCIMUIRRZYRZ-HNNXBMFYSA-N 2 1 360.462 0.923 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000423029659 490524149 /nfs/dbraw/zinc/52/41/49/490524149.db2.gz SHENQRGKKNNBGF-UHFFFAOYSA-N 2 1 354.454 0.901 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000510543765 490525305 /nfs/dbraw/zinc/52/53/05/490525305.db2.gz CEVVGJGIMLZOQP-HNNXBMFYSA-N 2 1 365.522 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000510543765 490525311 /nfs/dbraw/zinc/52/53/11/490525311.db2.gz CEVVGJGIMLZOQP-HNNXBMFYSA-N 2 1 365.522 0.927 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000423036023 490525847 /nfs/dbraw/zinc/52/58/47/490525847.db2.gz KLDCBWPNKOPQHU-UHFFFAOYSA-N 2 1 372.513 0.831 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423033752 490526008 /nfs/dbraw/zinc/52/60/08/490526008.db2.gz GTHOUPYSMHFRBR-FUHWJXTLSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485469036 490532109 /nfs/dbraw/zinc/53/21/09/490532109.db2.gz LYSARVNEVKFJFA-UHFFFAOYSA-N 2 1 364.465 0.926 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063603 490533599 /nfs/dbraw/zinc/53/35/99/490533599.db2.gz WQSDPMSCCYFCIK-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000485562203 490543998 /nfs/dbraw/zinc/54/39/98/490543998.db2.gz OQAQWZHFXZVKED-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000485562203 490544003 /nfs/dbraw/zinc/54/40/03/490544003.db2.gz OQAQWZHFXZVKED-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000485562203 490544007 /nfs/dbraw/zinc/54/40/07/490544007.db2.gz OQAQWZHFXZVKED-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000485562203 490544011 /nfs/dbraw/zinc/54/40/11/490544011.db2.gz OQAQWZHFXZVKED-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CN1CC[NH+](Cc2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000564911354 491335830 /nfs/dbraw/zinc/33/58/30/491335830.db2.gz WSUUZZUGEKTMSN-GOSISDBHSA-N 2 1 373.501 0.631 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000485800944 490558987 /nfs/dbraw/zinc/55/89/87/490558987.db2.gz WSHARRCGDABLCO-RBSFLKMASA-N 2 1 364.494 0.820 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)CC1=O ZINC000524775068 490558968 /nfs/dbraw/zinc/55/89/68/490558968.db2.gz OPVKVPMXPHTFRL-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1=O ZINC000524775068 490558972 /nfs/dbraw/zinc/55/89/72/490558972.db2.gz OPVKVPMXPHTFRL-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1=O ZINC000524775068 490558975 /nfs/dbraw/zinc/55/89/75/490558975.db2.gz OPVKVPMXPHTFRL-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000486041068 490586357 /nfs/dbraw/zinc/58/63/57/490586357.db2.gz LXZNOQNRGZCEDT-TXCZRRACSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000486041068 490586362 /nfs/dbraw/zinc/58/63/62/490586362.db2.gz LXZNOQNRGZCEDT-TXCZRRACSA-N 2 1 350.507 0.489 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000486041068 490586366 /nfs/dbraw/zinc/58/63/66/490586366.db2.gz LXZNOQNRGZCEDT-TXCZRRACSA-N 2 1 350.507 0.489 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000486034613 490586651 /nfs/dbraw/zinc/58/66/51/490586651.db2.gz GTMFXCOLYZTVRE-SIRPWMCASA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486034613 490586653 /nfs/dbraw/zinc/58/66/53/490586653.db2.gz GTMFXCOLYZTVRE-SIRPWMCASA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000486034613 490586655 /nfs/dbraw/zinc/58/66/55/490586655.db2.gz GTMFXCOLYZTVRE-SIRPWMCASA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958136 491339758 /nfs/dbraw/zinc/33/97/58/491339758.db2.gz JARNTSJVCMFVDJ-YOEHRIQHSA-N 2 1 362.474 0.769 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365758 490614813 /nfs/dbraw/zinc/61/48/13/490614813.db2.gz LBMSZGYOFSZGEL-FGTMMUONSA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000486365758 490614819 /nfs/dbraw/zinc/61/48/19/490614819.db2.gz LBMSZGYOFSZGEL-FGTMMUONSA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000486365758 490614824 /nfs/dbraw/zinc/61/48/24/490614824.db2.gz LBMSZGYOFSZGEL-FGTMMUONSA-N 2 1 352.523 0.438 20 0 FCADMP CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702524 490623272 /nfs/dbraw/zinc/62/32/72/490623272.db2.gz PITIKFOVOKLFBV-CVEARBPZSA-N 2 1 366.506 0.694 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556851717 491341117 /nfs/dbraw/zinc/34/11/17/491341117.db2.gz MUTAEBKBZOAWLB-UYAOXDASSA-N 2 1 359.470 0.460 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556851717 491341119 /nfs/dbraw/zinc/34/11/19/491341119.db2.gz MUTAEBKBZOAWLB-UYAOXDASSA-N 2 1 359.470 0.460 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501643389 490629420 /nfs/dbraw/zinc/62/94/20/490629420.db2.gz VWVPXAJFXTWMAS-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501643389 490629425 /nfs/dbraw/zinc/62/94/25/490629425.db2.gz VWVPXAJFXTWMAS-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501643389 490629429 /nfs/dbraw/zinc/62/94/29/490629429.db2.gz VWVPXAJFXTWMAS-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501640400 490629710 /nfs/dbraw/zinc/62/97/10/490629710.db2.gz OZRAZTRSCANDNO-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640400 490629714 /nfs/dbraw/zinc/62/97/14/490629714.db2.gz OZRAZTRSCANDNO-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640400 490629720 /nfs/dbraw/zinc/62/97/20/490629720.db2.gz OZRAZTRSCANDNO-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000550129540 490630099 /nfs/dbraw/zinc/63/00/99/490630099.db2.gz ITCOBWLHXSYAFR-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996061 491341708 /nfs/dbraw/zinc/34/17/08/491341708.db2.gz KVAMRTNQYQLRKE-HUUCEWRRSA-N 2 1 352.504 0.531 20 0 FCADMP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848915 490646919 /nfs/dbraw/zinc/64/69/19/490646919.db2.gz HQSOZRSZAOARAS-MOPGFXCFSA-N 2 1 357.539 0.748 20 0 FCADMP C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000550269655 490649672 /nfs/dbraw/zinc/64/96/72/490649672.db2.gz NALLJTKHZROVBJ-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000550269655 490649673 /nfs/dbraw/zinc/64/96/73/490649673.db2.gz NALLJTKHZROVBJ-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000550264431 490649996 /nfs/dbraw/zinc/64/99/96/490649996.db2.gz BAWFFNRLDUMHPP-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)C(C)(C)CCC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000486659258 490657696 /nfs/dbraw/zinc/65/76/96/490657696.db2.gz RZGAYTOLETZYRY-CVEARBPZSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000486659258 490657701 /nfs/dbraw/zinc/65/77/01/490657701.db2.gz RZGAYTOLETZYRY-CVEARBPZSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)CCC(C)(C)C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000486659258 490657709 /nfs/dbraw/zinc/65/77/09/490657709.db2.gz RZGAYTOLETZYRY-CVEARBPZSA-N 2 1 352.523 0.929 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000564985750 491343456 /nfs/dbraw/zinc/34/34/56/491343456.db2.gz MKSVHGYNWOGJJF-QEJZJMRPSA-N 2 1 363.458 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000564985750 491343458 /nfs/dbraw/zinc/34/34/58/491343458.db2.gz MKSVHGYNWOGJJF-QEJZJMRPSA-N 2 1 363.458 0.998 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000550463837 490671477 /nfs/dbraw/zinc/67/14/77/490671477.db2.gz GGLYWSVOZHVZKU-MRXNPFEDSA-N 2 1 350.507 0.991 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465092 490671877 /nfs/dbraw/zinc/67/18/77/490671877.db2.gz XNTNTBFPNILNOG-WBVHZDCISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486807588 490673174 /nfs/dbraw/zinc/67/31/74/490673174.db2.gz ICOADIYTCKXIEZ-COZGXFGHSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486807588 490673181 /nfs/dbraw/zinc/67/31/81/490673181.db2.gz ICOADIYTCKXIEZ-COZGXFGHSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486807588 490673188 /nfs/dbraw/zinc/67/31/88/490673188.db2.gz ICOADIYTCKXIEZ-COZGXFGHSA-N 2 1 364.534 0.925 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000512389127 490678568 /nfs/dbraw/zinc/67/85/68/490678568.db2.gz GGRKSUAZXRYSMG-PMACEKPBSA-N 2 1 374.529 0.938 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C ZINC000486992129 490684829 /nfs/dbraw/zinc/68/48/29/490684829.db2.gz YRMMGGIEERDYOK-IZPLOLCNSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@H]1C ZINC000486992129 490684834 /nfs/dbraw/zinc/68/48/34/490684834.db2.gz YRMMGGIEERDYOK-IZPLOLCNSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@H]1C ZINC000486992129 490684838 /nfs/dbraw/zinc/68/48/38/490684838.db2.gz YRMMGGIEERDYOK-IZPLOLCNSA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487048837 490689070 /nfs/dbraw/zinc/68/90/70/490689070.db2.gz QPHDVEYUWUURSG-UHDSXZAQSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487048837 490689075 /nfs/dbraw/zinc/68/90/75/490689075.db2.gz QPHDVEYUWUURSG-UHDSXZAQSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000487048837 490689081 /nfs/dbraw/zinc/68/90/81/490689081.db2.gz QPHDVEYUWUURSG-UHDSXZAQSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487168945 490699490 /nfs/dbraw/zinc/69/94/90/490699490.db2.gz WRYFIMVIGIQNJD-XJKSGUPXSA-N 2 1 368.503 0.663 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512830638 490700587 /nfs/dbraw/zinc/70/05/87/490700587.db2.gz BABROXNCJGSOCL-UHFFFAOYSA-N 2 1 355.527 0.114 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513242062 490716730 /nfs/dbraw/zinc/71/67/30/490716730.db2.gz XPPSHQURLGQIFE-YESZJQIVSA-N 2 1 368.522 0.498 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747369 490728817 /nfs/dbraw/zinc/72/88/17/490728817.db2.gz GETUXCZSQYADEX-OAHLLOKOSA-N 2 1 362.540 0.142 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513469093 490731858 /nfs/dbraw/zinc/73/18/58/490731858.db2.gz MTZCDRYZIXWMHS-OAHLLOKOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513476037 490732802 /nfs/dbraw/zinc/73/28/02/490732802.db2.gz MMKGBFUJNMEZHA-HUUCEWRRSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513476037 490732804 /nfs/dbraw/zinc/73/28/04/490732804.db2.gz MMKGBFUJNMEZHA-HUUCEWRRSA-N 2 1 370.538 0.383 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)C ZINC000502994342 490734862 /nfs/dbraw/zinc/73/48/62/490734862.db2.gz HVUKVWIUFRXRTN-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NCc1ccc(F)cc1 ZINC000513971818 490756441 /nfs/dbraw/zinc/75/64/41/490756441.db2.gz QSSFSSIMAFEKHD-UHFFFAOYSA-N 2 1 364.465 0.928 20 0 FCADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NCc1ccc(F)cc1 ZINC000513971818 490756445 /nfs/dbraw/zinc/75/64/45/490756445.db2.gz QSSFSSIMAFEKHD-UHFFFAOYSA-N 2 1 364.465 0.928 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000488351138 490756851 /nfs/dbraw/zinc/75/68/51/490756851.db2.gz FBDSUBFROQVDCO-WCVJEAGWSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000488351138 490756855 /nfs/dbraw/zinc/75/68/55/490756855.db2.gz FBDSUBFROQVDCO-WCVJEAGWSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000488351138 490756859 /nfs/dbraw/zinc/75/68/59/490756859.db2.gz FBDSUBFROQVDCO-WCVJEAGWSA-N 2 1 350.507 0.537 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000539145462 490764820 /nfs/dbraw/zinc/76/48/20/490764820.db2.gz LGWKOXQRHBICDQ-QZTJIDSGSA-N 2 1 355.523 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000539149175 490764948 /nfs/dbraw/zinc/76/49/48/490764948.db2.gz PVNDXKJGLCOWRJ-IYBDPMFKSA-N 2 1 367.490 0.726 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000539149175 490764951 /nfs/dbraw/zinc/76/49/51/490764951.db2.gz PVNDXKJGLCOWRJ-IYBDPMFKSA-N 2 1 367.490 0.726 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000488618718 490767637 /nfs/dbraw/zinc/76/76/37/490767637.db2.gz GQXDFTZXZSJZDF-QFBILLFUSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488618718 490767640 /nfs/dbraw/zinc/76/76/40/490767640.db2.gz GQXDFTZXZSJZDF-QFBILLFUSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000488618718 490767642 /nfs/dbraw/zinc/76/76/42/490767642.db2.gz GQXDFTZXZSJZDF-QFBILLFUSA-N 2 1 365.522 0.666 20 0 FCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000503633433 490768204 /nfs/dbraw/zinc/76/82/04/490768204.db2.gz DMJVRYHEIRDHFF-FCGDIQPGSA-N 2 1 354.539 0.168 20 0 FCADMP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000539283772 490774978 /nfs/dbraw/zinc/77/49/78/490774978.db2.gz ZURZWKXNKXNAIX-KRWDZBQOSA-N 2 1 362.474 0.301 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCn1cc(Br)cn1 ZINC000514886157 490795519 /nfs/dbraw/zinc/79/55/19/490795519.db2.gz FMNFLSVGTFFVOJ-UHFFFAOYSA-N 2 1 358.284 0.742 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCn1cc(Br)cn1 ZINC000514886157 490795521 /nfs/dbraw/zinc/79/55/21/490795521.db2.gz FMNFLSVGTFFVOJ-UHFFFAOYSA-N 2 1 358.284 0.742 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000515011525 490803315 /nfs/dbraw/zinc/80/33/15/490803315.db2.gz ODCPECSNDLWQMG-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000540051788 490806324 /nfs/dbraw/zinc/80/63/24/490806324.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 2 1 358.552 0.727 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@H+](C)C(C)C ZINC000540051788 490806328 /nfs/dbraw/zinc/80/63/28/490806328.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 2 1 358.552 0.727 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@@H+](C)C(C)C ZINC000540051788 490806330 /nfs/dbraw/zinc/80/63/30/490806330.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 2 1 358.552 0.727 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091343 490808198 /nfs/dbraw/zinc/80/81/98/490808198.db2.gz FEUXAVDJNRBMTP-CABCVRRESA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091345 490808323 /nfs/dbraw/zinc/80/83/23/490808323.db2.gz FEUXAVDJNRBMTP-HUUCEWRRSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000540246451 490811289 /nfs/dbraw/zinc/81/12/89/490811289.db2.gz HTRRYIIAQRBGLU-GASCZTMLSA-N 2 1 363.524 0.255 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000540246451 490811292 /nfs/dbraw/zinc/81/12/92/490811292.db2.gz HTRRYIIAQRBGLU-GASCZTMLSA-N 2 1 363.524 0.255 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322861 490817674 /nfs/dbraw/zinc/81/76/74/490817674.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 2 1 356.555 0.414 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000515354173 490821453 /nfs/dbraw/zinc/82/14/53/490821453.db2.gz SGFNMXISGGJCKU-HZPDHXFCSA-N 2 1 370.538 0.839 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000515528196 490830810 /nfs/dbraw/zinc/83/08/10/490830810.db2.gz PLAUSKYJPUKKOL-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529309051 490849379 /nfs/dbraw/zinc/84/93/79/490849379.db2.gz YHAJKTVUQRHQEV-IRXDYDNUSA-N 2 1 353.511 0.032 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215657 490857458 /nfs/dbraw/zinc/85/74/58/490857458.db2.gz AYSUDEZZVXIKTE-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000516215657 490857459 /nfs/dbraw/zinc/85/74/59/490857459.db2.gz AYSUDEZZVXIKTE-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000529374875 490857791 /nfs/dbraw/zinc/85/77/91/490857791.db2.gz OQNDBPBESNRZPN-QGZVFWFLSA-N 2 1 362.474 0.901 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000557251806 491362530 /nfs/dbraw/zinc/36/25/30/491362530.db2.gz ZSBSXSYDSYHQCD-MRXNPFEDSA-N 2 1 368.522 0.309 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000516650387 490873011 /nfs/dbraw/zinc/87/30/11/490873011.db2.gz USWVHRTVDOOZFI-MRXNPFEDSA-N 2 1 361.490 0.961 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)OC)[C@H](C)O)CC2)CC1 ZINC000517173288 490897661 /nfs/dbraw/zinc/89/76/61/490897661.db2.gz WCPLZTOITXFCFF-BBRMVZONSA-N 2 1 355.479 0.221 20 0 FCADMP [NH3+]C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCCC1 ZINC000572404717 491367981 /nfs/dbraw/zinc/36/79/81/491367981.db2.gz VCRGMAUBQGUGBH-MRXNPFEDSA-N 2 1 366.506 0.478 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530654410 490917843 /nfs/dbraw/zinc/91/78/43/490917843.db2.gz NSAUBTVZESANOE-NRFANRHFSA-N 2 1 374.529 0.766 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000517738691 490918621 /nfs/dbraw/zinc/91/86/21/490918621.db2.gz OSLWDPHYBWLRJR-SJORKVTESA-N 2 1 363.506 0.563 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000517998529 490927579 /nfs/dbraw/zinc/92/75/79/490927579.db2.gz YGNHREFEOARGIE-ZACQAIPSSA-N 2 1 366.506 0.081 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000518134230 490931274 /nfs/dbraw/zinc/93/12/74/490931274.db2.gz JXWOLDVUXVJLNN-OAHLLOKOSA-N 2 1 361.494 0.986 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@H]3CC(N)=O)CC2)CC1 ZINC000518214815 490933437 /nfs/dbraw/zinc/93/34/37/490933437.db2.gz CPRUTHYTJMGRNU-QGZVFWFLSA-N 2 1 366.506 0.286 20 0 FCADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000518290304 490935827 /nfs/dbraw/zinc/93/58/27/490935827.db2.gz GHPQXBJQQQQXEK-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3C[NH2+]CCN3C)CC2)cc1 ZINC000572374662 491365714 /nfs/dbraw/zinc/36/57/14/491365714.db2.gz NDPLXAJEWVJBEO-KRWDZBQOSA-N 2 1 366.531 0.641 20 0 FCADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000531300880 490951257 /nfs/dbraw/zinc/95/12/57/490951257.db2.gz XGKCPJFAUNTEQM-PXNSSMCTSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000531300880 490951262 /nfs/dbraw/zinc/95/12/62/490951262.db2.gz XGKCPJFAUNTEQM-PXNSSMCTSA-N 2 1 361.486 0.708 20 0 FCADMP O=C(N1CC[NH+](C2CCOCC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531335568 490952501 /nfs/dbraw/zinc/95/25/01/490952501.db2.gz HBCWFIRULFDFDE-OAQYLSRUSA-N 2 1 373.497 0.947 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000519000978 490958924 /nfs/dbraw/zinc/95/89/24/490958924.db2.gz LTCBMLZTAQRMEY-DZKIICNBSA-N 2 1 360.458 0.712 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000519435388 490972098 /nfs/dbraw/zinc/97/20/98/490972098.db2.gz NYCIKROOKWPUDH-QGZVFWFLSA-N 2 1 356.536 0.483 20 0 FCADMP O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000519538582 490974862 /nfs/dbraw/zinc/97/48/62/490974862.db2.gz DBZBCIHSKFULLH-UHFFFAOYSA-N 2 1 358.442 0.693 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[N@H+]1C1CC1 ZINC000519567624 490977210 /nfs/dbraw/zinc/97/72/10/490977210.db2.gz MEQZICNPKFBIRX-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000519640531 490981158 /nfs/dbraw/zinc/98/11/58/490981158.db2.gz DKESJCPSXQYNIH-NVXWUHKLSA-N 2 1 366.531 0.840 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1C ZINC000532265057 490990095 /nfs/dbraw/zinc/99/00/95/490990095.db2.gz FROVEHPPTFQFOU-JKSUJKDBSA-N 2 1 364.494 0.663 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)C2)CC1 ZINC000532343160 490991364 /nfs/dbraw/zinc/99/13/64/490991364.db2.gz GHRXANXEVBJZGD-ROUUACIJSA-N 2 1 351.539 0.249 20 0 FCADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310782 491916521 /nfs/dbraw/zinc/91/65/21/491916521.db2.gz FKIBARZMWWSKIP-IRXDYDNUSA-N 2 1 366.506 0.252 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1CCC[NH+](C)C1)C2 ZINC000553997895 491168511 /nfs/dbraw/zinc/16/85/11/491168511.db2.gz GBORTPQMBSOHON-MGNMYUMUSA-N 2 1 365.522 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1CCC[N@H+](C)C1)C2 ZINC000553997895 491168514 /nfs/dbraw/zinc/16/85/14/491168514.db2.gz GBORTPQMBSOHON-MGNMYUMUSA-N 2 1 365.522 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1CCC[N@@H+](C)C1)C2 ZINC000553997895 491168516 /nfs/dbraw/zinc/16/85/16/491168516.db2.gz GBORTPQMBSOHON-MGNMYUMUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)(CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000569576173 491169812 /nfs/dbraw/zinc/16/98/12/491169812.db2.gz PWMQKBKBVNQIJV-MRXNPFEDSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648698 491177764 /nfs/dbraw/zinc/17/77/64/491177764.db2.gz DQDCVSNBXYQUJR-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000569648698 491177767 /nfs/dbraw/zinc/17/77/67/491177767.db2.gz DQDCVSNBXYQUJR-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000569648698 491177769 /nfs/dbraw/zinc/17/77/69/491177769.db2.gz DQDCVSNBXYQUJR-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000569648698 491177771 /nfs/dbraw/zinc/17/77/71/491177771.db2.gz DQDCVSNBXYQUJR-CABCVRRESA-N 2 1 366.506 0.057 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557381306 491371653 /nfs/dbraw/zinc/37/16/53/491371653.db2.gz JPMSFULZKRRLBB-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000557381306 491371656 /nfs/dbraw/zinc/37/16/56/491371656.db2.gz JPMSFULZKRRLBB-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000557381306 491371658 /nfs/dbraw/zinc/37/16/58/491371658.db2.gz JPMSFULZKRRLBB-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355901 493338138 /nfs/dbraw/zinc/33/81/38/493338138.db2.gz FCKMZIUESDXLEF-KGLIPLIRSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000668355901 493338141 /nfs/dbraw/zinc/33/81/41/493338141.db2.gz FCKMZIUESDXLEF-KGLIPLIRSA-N 2 1 350.463 0.988 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572619454 491381857 /nfs/dbraw/zinc/38/18/57/491381857.db2.gz PSCHLZLJNBNGLB-DLBZAZTESA-N 2 1 365.522 0.572 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000572620982 491382031 /nfs/dbraw/zinc/38/20/31/491382031.db2.gz WNMOUCHNJHAEGZ-IXDOHACOSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000572667409 491386015 /nfs/dbraw/zinc/38/60/15/491386015.db2.gz WVMVIYDYOFIUBM-SUMWQHHRSA-N 2 1 354.520 0.307 20 0 FCADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)c2)CC1 ZINC000673514467 493339012 /nfs/dbraw/zinc/33/90/12/493339012.db2.gz GZXSEUYZSHDOSO-UXHICEINSA-N 2 1 372.513 0.715 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000660280926 493339312 /nfs/dbraw/zinc/33/93/12/493339312.db2.gz KQONFYXAHWAAIP-HZPDHXFCSA-N 2 1 361.490 0.703 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000572726117 491389272 /nfs/dbraw/zinc/38/92/72/491389272.db2.gz KJTJYHIFKVHXAJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000572747762 491391333 /nfs/dbraw/zinc/39/13/33/491391333.db2.gz FLJCCMRUYBXVHL-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000557768072 491396937 /nfs/dbraw/zinc/39/69/37/491396937.db2.gz DXLBNMUIPSAAJK-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000572860393 491398290 /nfs/dbraw/zinc/39/82/90/491398290.db2.gz DFNUONSWWSPURV-QGZVFWFLSA-N 2 1 368.522 0.260 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516464 493340436 /nfs/dbraw/zinc/34/04/36/493340436.db2.gz HVDWPVJMSMSHOH-HSALFYBXSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673516464 493340439 /nfs/dbraw/zinc/34/04/39/493340439.db2.gz HVDWPVJMSMSHOH-HSALFYBXSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673516464 493340441 /nfs/dbraw/zinc/34/04/41/493340441.db2.gz HVDWPVJMSMSHOH-HSALFYBXSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673516464 493340444 /nfs/dbraw/zinc/34/04/44/493340444.db2.gz HVDWPVJMSMSHOH-HSALFYBXSA-N 2 1 373.497 0.945 20 0 FCADMP Cc1nc(COc2ccc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)no1 ZINC000573021551 491408151 /nfs/dbraw/zinc/40/81/51/491408151.db2.gz CVACXWIKMAUHOJ-GDBMZVCRSA-N 2 1 357.414 0.701 20 0 FCADMP Cc1nc(COc2ccc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)no1 ZINC000573021551 491408153 /nfs/dbraw/zinc/40/81/53/491408153.db2.gz CVACXWIKMAUHOJ-GDBMZVCRSA-N 2 1 357.414 0.701 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000565941996 491408272 /nfs/dbraw/zinc/40/82/72/491408272.db2.gz OKYWSBDTJSFWGW-ZDUSSCGKSA-N 2 1 367.519 0.006 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000558105939 491414151 /nfs/dbraw/zinc/41/41/51/491414151.db2.gz ZBIFFGNXBBDCPA-UAGQMJEPSA-N 2 1 368.522 0.327 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000558210474 491419987 /nfs/dbraw/zinc/41/99/87/491419987.db2.gz TUTVDLWOYNRMAL-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000558210475 491420083 /nfs/dbraw/zinc/42/00/83/491420083.db2.gz TUTVDLWOYNRMAL-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)(CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000566166079 491421882 /nfs/dbraw/zinc/42/18/82/491421882.db2.gz YBQJEHAPCCTNPG-QGZVFWFLSA-N 2 1 358.486 0.808 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCO)CCCO)CC1 ZINC000558245644 491422276 /nfs/dbraw/zinc/42/22/76/491422276.db2.gz KUGAKPJITVMJHF-UHFFFAOYSA-N 2 1 363.502 0.752 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCCO)CC1 ZINC000558245644 491422278 /nfs/dbraw/zinc/42/22/78/491422278.db2.gz KUGAKPJITVMJHF-UHFFFAOYSA-N 2 1 363.502 0.752 20 0 FCADMP O=C(CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000573308555 491425352 /nfs/dbraw/zinc/42/53/52/491425352.db2.gz UACFHDCGTKZZEB-QGZVFWFLSA-N 2 1 359.474 0.382 20 0 FCADMP [NH3+]C1(C[NH2+]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC000566244252 491429988 /nfs/dbraw/zinc/42/99/88/491429988.db2.gz QMWJCIBQSNWXCQ-UHFFFAOYSA-N 2 1 369.487 0.557 20 0 FCADMP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566244182 491430149 /nfs/dbraw/zinc/43/01/49/491430149.db2.gz DGFVSIMQVFPODD-HUUCEWRRSA-N 2 1 357.520 0.391 20 0 FCADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000566244182 491430150 /nfs/dbraw/zinc/43/01/50/491430150.db2.gz DGFVSIMQVFPODD-HUUCEWRRSA-N 2 1 357.520 0.391 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000566304293 491434041 /nfs/dbraw/zinc/43/40/41/491434041.db2.gz XHGKJBRVHRHPED-BRWVUGGUSA-N 2 1 358.490 0.575 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000573476569 491435863 /nfs/dbraw/zinc/43/58/63/491435863.db2.gz SOFZCGDPECVJIS-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000573674892 491447675 /nfs/dbraw/zinc/44/76/75/491447675.db2.gz GUQBWNXKUJQCOI-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684655 491448247 /nfs/dbraw/zinc/44/82/47/491448247.db2.gz NCYPZQUKXUCZJP-ZFWWWQNUSA-N 2 1 360.458 0.800 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573684655 491448249 /nfs/dbraw/zinc/44/82/49/491448249.db2.gz NCYPZQUKXUCZJP-ZFWWWQNUSA-N 2 1 360.458 0.800 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCNC3=O)CC2)CC1 ZINC000573813234 491456376 /nfs/dbraw/zinc/45/63/76/491456376.db2.gz MIEVVGISLAUTNR-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCCC1 ZINC000566640669 491457849 /nfs/dbraw/zinc/45/78/49/491457849.db2.gz NYRABULSXZKMEH-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000559307922 491463710 /nfs/dbraw/zinc/46/37/10/491463710.db2.gz KESQAFMDJCAPJR-GOSISDBHSA-N 2 1 350.511 0.823 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559389922 491469326 /nfs/dbraw/zinc/46/93/26/491469326.db2.gz OCUNCWKXJCTUSS-GOEBONIOSA-N 2 1 360.458 0.886 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000559389922 491469329 /nfs/dbraw/zinc/46/93/29/491469329.db2.gz OCUNCWKXJCTUSS-GOEBONIOSA-N 2 1 360.458 0.886 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000559412330 491471128 /nfs/dbraw/zinc/47/11/28/491471128.db2.gz QQMDYZPLHWVOSS-GOSISDBHSA-N 2 1 371.485 0.987 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439882 491472563 /nfs/dbraw/zinc/47/25/63/491472563.db2.gz HMWJEIHCPRBZML-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000559439882 491472565 /nfs/dbraw/zinc/47/25/65/491472565.db2.gz HMWJEIHCPRBZML-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000559439882 491472567 /nfs/dbraw/zinc/47/25/67/491472567.db2.gz HMWJEIHCPRBZML-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000574145936 491477508 /nfs/dbraw/zinc/47/75/08/491477508.db2.gz QZVCTALNRCEEKQ-ZMSDIMECSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145936 491477509 /nfs/dbraw/zinc/47/75/09/491477509.db2.gz QZVCTALNRCEEKQ-ZMSDIMECSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145936 491477510 /nfs/dbraw/zinc/47/75/10/491477510.db2.gz QZVCTALNRCEEKQ-ZMSDIMECSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000566973820 491478045 /nfs/dbraw/zinc/47/80/45/491478045.db2.gz HMKGJHPFRJOQIY-YNEHKIRRSA-N 2 1 352.504 0.853 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000566973820 491478047 /nfs/dbraw/zinc/47/80/47/491478047.db2.gz HMKGJHPFRJOQIY-YNEHKIRRSA-N 2 1 352.504 0.853 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569552 491482025 /nfs/dbraw/zinc/48/20/25/491482025.db2.gz ZDQDBWDDWAUWPP-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569553 491482323 /nfs/dbraw/zinc/48/23/23/491482323.db2.gz ZDQDBWDDWAUWPP-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567062557 491483851 /nfs/dbraw/zinc/48/38/51/491483851.db2.gz ANNWHVVVOIUAOY-ROUUACIJSA-N 2 1 373.501 0.980 20 0 FCADMP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000567139120 491488196 /nfs/dbraw/zinc/48/81/96/491488196.db2.gz DSOSIRIQONRPQZ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000567139120 491488197 /nfs/dbraw/zinc/48/81/97/491488197.db2.gz DSOSIRIQONRPQZ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000567139120 491488202 /nfs/dbraw/zinc/48/82/02/491488202.db2.gz DSOSIRIQONRPQZ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000567139120 491488203 /nfs/dbraw/zinc/48/82/03/491488203.db2.gz DSOSIRIQONRPQZ-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000559761269 491497054 /nfs/dbraw/zinc/49/70/54/491497054.db2.gz AFGBVJYNQXHDQD-IRXDYDNUSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000559761269 491497056 /nfs/dbraw/zinc/49/70/56/491497056.db2.gz AFGBVJYNQXHDQD-IRXDYDNUSA-N 2 1 366.506 0.015 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000574517155 491502184 /nfs/dbraw/zinc/50/21/84/491502184.db2.gz VADHKWJHWBOHDY-UHFFFAOYSA-N 2 1 364.494 0.633 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000559834678 491503736 /nfs/dbraw/zinc/50/37/36/491503736.db2.gz WMJOVSKXVCIVBR-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000559834678 491503737 /nfs/dbraw/zinc/50/37/37/491503737.db2.gz WMJOVSKXVCIVBR-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000559834678 491503738 /nfs/dbraw/zinc/50/37/38/491503738.db2.gz WMJOVSKXVCIVBR-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868916 491506669 /nfs/dbraw/zinc/50/66/69/491506669.db2.gz YDYDMRDURGHKFN-KEYYUXOJSA-N 2 1 356.536 0.339 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN(CC[NH+](C)C)Cc2ccccn2)C[C@@H](C)O1 ZINC000574581417 491506974 /nfs/dbraw/zinc/50/69/74/491506974.db2.gz JZKHUUIQDTZYNN-ZHALLVOQSA-N 2 1 350.507 0.915 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000567455379 491507416 /nfs/dbraw/zinc/50/74/16/491507416.db2.gz JRDUSCAHYPHHDW-ZIAGYGMSSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000567455379 491507419 /nfs/dbraw/zinc/50/74/19/491507419.db2.gz JRDUSCAHYPHHDW-ZIAGYGMSSA-N 2 1 364.515 0.808 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560022235 491515343 /nfs/dbraw/zinc/51/53/43/491515343.db2.gz VEZXLHYFNYDNMV-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560027871 491516434 /nfs/dbraw/zinc/51/64/34/491516434.db2.gz MOJZQRSGUUKVGD-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000683378091 493348214 /nfs/dbraw/zinc/34/82/14/493348214.db2.gz BOVISIRGHKVPFG-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725658 491525242 /nfs/dbraw/zinc/52/52/42/491525242.db2.gz DKMQJRYGKYJTNS-KRWDZBQOSA-N 3 1 354.539 0.658 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725658 491525244 /nfs/dbraw/zinc/52/52/44/491525244.db2.gz DKMQJRYGKYJTNS-KRWDZBQOSA-N 3 1 354.539 0.658 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574910915 491527067 /nfs/dbraw/zinc/52/70/67/491527067.db2.gz BFRHLRBDSKAWAK-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000560300851 491529843 /nfs/dbraw/zinc/52/98/43/491529843.db2.gz VKKZYUGBWLPWNE-AEFFLSMTSA-N 2 1 360.502 0.828 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000567789003 491530036 /nfs/dbraw/zinc/53/00/36/491530036.db2.gz GFWPIBODZCFMIU-KFWWJZLASA-N 2 1 364.494 0.648 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000575115205 491540054 /nfs/dbraw/zinc/54/00/54/491540054.db2.gz KMOJIABIUDUVSQ-CVEARBPZSA-N 2 1 357.458 0.107 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1=O ZINC000560596923 491546333 /nfs/dbraw/zinc/54/63/33/491546333.db2.gz YWTGALVHYWTKMG-WCXIOVBPSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000568047376 491549871 /nfs/dbraw/zinc/54/98/71/491549871.db2.gz LRBWTJBRTMXVPB-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000568057136 491550566 /nfs/dbraw/zinc/55/05/66/491550566.db2.gz RZKOWADAEGSYTJ-UHFFFAOYSA-N 2 1 362.474 0.964 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000560664166 491550914 /nfs/dbraw/zinc/55/09/14/491550914.db2.gz YNRZQYUROHESOG-SZVBFZGTSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560664166 491550915 /nfs/dbraw/zinc/55/09/15/491550915.db2.gz YNRZQYUROHESOG-SZVBFZGTSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000560664166 491550917 /nfs/dbraw/zinc/55/09/17/491550917.db2.gz YNRZQYUROHESOG-SZVBFZGTSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000560664165 491551138 /nfs/dbraw/zinc/55/11/38/491551138.db2.gz YNRZQYUROHESOG-SUMDDJOVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560664165 491551140 /nfs/dbraw/zinc/55/11/40/491551140.db2.gz YNRZQYUROHESOG-SUMDDJOVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000560664165 491551141 /nfs/dbraw/zinc/55/11/41/491551141.db2.gz YNRZQYUROHESOG-SUMDDJOVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000575476915 491555404 /nfs/dbraw/zinc/55/54/04/491555404.db2.gz MJLUMXHSYBDLLK-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000568207897 491559326 /nfs/dbraw/zinc/55/93/26/491559326.db2.gz RKDAVRYOGYKGEP-SFHVURJKSA-N 2 1 371.485 0.941 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568294364 491568010 /nfs/dbraw/zinc/56/80/10/491568010.db2.gz PYUCXWJLKZBVEJ-MSOLQXFVSA-N 2 1 358.486 0.615 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568294366 491568061 /nfs/dbraw/zinc/56/80/61/491568061.db2.gz PYUCXWJLKZBVEJ-ROUUACIJSA-N 2 1 358.486 0.615 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000575890569 491568164 /nfs/dbraw/zinc/56/81/64/491568164.db2.gz XOGJRLFKNCQUJN-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000575890569 491568165 /nfs/dbraw/zinc/56/81/65/491568165.db2.gz XOGJRLFKNCQUJN-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP COC[C@@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000575985681 491573901 /nfs/dbraw/zinc/57/39/01/491573901.db2.gz XTNCYHHFNGTWEY-HXUWFJFHSA-N 2 1 360.502 0.893 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@@H+](C)C1CC1 ZINC000561183675 491581085 /nfs/dbraw/zinc/58/10/85/491581085.db2.gz NQVASYDTWXUESR-OAHLLOKOSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000561194658 491581814 /nfs/dbraw/zinc/58/18/14/491581814.db2.gz RLHOTLZVVCGHDH-HNNXBMFYSA-N 2 1 368.522 0.545 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000577106786 491590690 /nfs/dbraw/zinc/59/06/90/491590690.db2.gz WTWQAIZVBLWKIH-FQEVSTJZSA-N 2 1 358.486 0.587 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000568608991 491591458 /nfs/dbraw/zinc/59/14/58/491591458.db2.gz RAQMIIRAPUOWNW-HOCLYGCPSA-N 2 1 351.495 0.500 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584459980 491593707 /nfs/dbraw/zinc/59/37/07/491593707.db2.gz ISXKQPMLGHFGQR-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584459980 491593708 /nfs/dbraw/zinc/59/37/08/491593708.db2.gz ISXKQPMLGHFGQR-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[N@@H+]1CCOC ZINC000568633376 491595715 /nfs/dbraw/zinc/59/57/15/491595715.db2.gz JDCPFIYOKBOBRW-CVEARBPZSA-N 2 1 364.494 0.603 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[N@H+]1CCOC ZINC000568633376 491595719 /nfs/dbraw/zinc/59/57/19/491595719.db2.gz JDCPFIYOKBOBRW-CVEARBPZSA-N 2 1 364.494 0.603 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1CCOC ZINC000584515557 491599161 /nfs/dbraw/zinc/59/91/61/491599161.db2.gz PNVPJRZRLDHZFV-INIZCTEOSA-N 2 1 356.511 0.356 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1CCOC ZINC000584515557 491599165 /nfs/dbraw/zinc/59/91/65/491599165.db2.gz PNVPJRZRLDHZFV-INIZCTEOSA-N 2 1 356.511 0.356 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000584524512 491600081 /nfs/dbraw/zinc/60/00/81/491600081.db2.gz JFWGSMXFLJKPBG-KCITZHQASA-N 2 1 370.497 0.928 20 0 FCADMP CO[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000584532650 491601271 /nfs/dbraw/zinc/60/12/71/491601271.db2.gz AHHZPZVERSGMDJ-RBUKOAKNSA-N 2 1 360.502 0.769 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000576293251 491602593 /nfs/dbraw/zinc/60/25/93/491602593.db2.gz NXJBPPATVIQWIU-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000584554933 491604087 /nfs/dbraw/zinc/60/40/87/491604087.db2.gz GXSAXNUVPUQRGO-KLHDSHLOSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000577395269 491618710 /nfs/dbraw/zinc/61/87/10/491618710.db2.gz JKSGQARUUAHWCL-UONOGXRCSA-N 2 1 352.504 0.677 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000568915978 491619681 /nfs/dbraw/zinc/61/96/81/491619681.db2.gz WTTGGNXXEIHKJU-BRWVUGGUSA-N 2 1 365.522 0.842 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522583 491622133 /nfs/dbraw/zinc/62/21/33/491622133.db2.gz SVEMMTZOFNDIIA-HLIPFELVSA-N 2 1 374.485 0.999 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522583 491622135 /nfs/dbraw/zinc/62/21/35/491622135.db2.gz SVEMMTZOFNDIIA-HLIPFELVSA-N 2 1 374.485 0.999 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCCC1 ZINC000561652461 491623197 /nfs/dbraw/zinc/62/31/97/491623197.db2.gz KQDUKUPZVRMEGE-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000569121380 491635751 /nfs/dbraw/zinc/63/57/51/491635751.db2.gz FSWXDYCDQZHHCW-NFAWXSAZSA-N 2 1 350.463 0.656 20 0 FCADMP C[C@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C(C)(C)C[NH+](C)C ZINC000576690552 491635866 /nfs/dbraw/zinc/63/58/66/491635866.db2.gz QXOZRHFTJVYSAI-LBPRGKRZSA-N 2 1 352.483 0.195 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620523 491637064 /nfs/dbraw/zinc/63/70/64/491637064.db2.gz QMQLTJHLECXQRA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000577620523 491637066 /nfs/dbraw/zinc/63/70/66/491637066.db2.gz QMQLTJHLECXQRA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000577620523 491637067 /nfs/dbraw/zinc/63/70/67/491637067.db2.gz QMQLTJHLECXQRA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968641 491643516 /nfs/dbraw/zinc/64/35/16/491643516.db2.gz OFXKXMWQIDJLPZ-GDBMZVCRSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968641 491643517 /nfs/dbraw/zinc/64/35/17/491643517.db2.gz OFXKXMWQIDJLPZ-GDBMZVCRSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968641 491643518 /nfs/dbraw/zinc/64/35/18/491643518.db2.gz OFXKXMWQIDJLPZ-GDBMZVCRSA-N 2 1 350.507 0.990 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000577741587 491647677 /nfs/dbraw/zinc/64/76/77/491647677.db2.gz QSAPRJHQXFGVGZ-IPMKNSEASA-N 2 1 357.502 0.806 20 0 FCADMP CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000569364049 491656125 /nfs/dbraw/zinc/65/61/25/491656125.db2.gz YDIMEBICVPWCHK-ZDUSSCGKSA-N 2 1 368.503 0.924 20 0 FCADMP CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000569364049 491656128 /nfs/dbraw/zinc/65/61/28/491656128.db2.gz YDIMEBICVPWCHK-ZDUSSCGKSA-N 2 1 368.503 0.924 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000577850780 491656904 /nfs/dbraw/zinc/65/69/04/491656904.db2.gz LKWCHOMNCOMXPQ-ARFHVFGLSA-N 2 1 374.485 0.963 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000577850780 491656908 /nfs/dbraw/zinc/65/69/08/491656908.db2.gz LKWCHOMNCOMXPQ-ARFHVFGLSA-N 2 1 374.485 0.963 20 0 FCADMP CS(=O)(=O)C1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000569458508 491663651 /nfs/dbraw/zinc/66/36/51/491663651.db2.gz MBQQZNXWSAIJTI-ZBFHGGJFSA-N 2 1 369.531 0.629 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000562329706 491666491 /nfs/dbraw/zinc/66/64/91/491666491.db2.gz RVJDAQIFHXBTRM-BFYDXBDKSA-N 2 1 365.522 0.569 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000562329706 491666492 /nfs/dbraw/zinc/66/64/92/491666492.db2.gz RVJDAQIFHXBTRM-BFYDXBDKSA-N 2 1 365.522 0.569 20 0 FCADMP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1(C)C ZINC000578097303 491669927 /nfs/dbraw/zinc/66/99/27/491669927.db2.gz QZTHJEKESQUKSS-JKSUJKDBSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1(C)C ZINC000578097300 491669968 /nfs/dbraw/zinc/66/99/68/491669968.db2.gz QZTHJEKESQUKSS-CVEARBPZSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC000578464367 491677836 /nfs/dbraw/zinc/67/78/36/491677836.db2.gz PYDKKTXUYBTMEW-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC000578464367 491677837 /nfs/dbraw/zinc/67/78/37/491677837.db2.gz PYDKKTXUYBTMEW-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC000578464367 491677838 /nfs/dbraw/zinc/67/78/38/491677838.db2.gz PYDKKTXUYBTMEW-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC000578464367 491677839 /nfs/dbraw/zinc/67/78/39/491677839.db2.gz PYDKKTXUYBTMEW-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000578488300 491678140 /nfs/dbraw/zinc/67/81/40/491678140.db2.gz GSCGDXRITPJDOQ-INIZCTEOSA-N 2 1 365.522 0.855 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000579465580 491698321 /nfs/dbraw/zinc/69/83/21/491698321.db2.gz OXIQAXJJGVPTOH-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP COC[C@@]1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000579587574 491701104 /nfs/dbraw/zinc/70/11/04/491701104.db2.gz AMHRCKSNFOEILU-HXUWFJFHSA-N 2 1 374.485 0.317 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000579871954 491707489 /nfs/dbraw/zinc/70/74/89/491707489.db2.gz PEAHHJPLMMUEIU-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000579871954 491707490 /nfs/dbraw/zinc/70/74/90/491707490.db2.gz PEAHHJPLMMUEIU-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000579871954 491707491 /nfs/dbraw/zinc/70/74/91/491707491.db2.gz PEAHHJPLMMUEIU-UHFFFAOYSA-N 2 1 356.511 0.404 20 0 FCADMP CC[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000584579640 491708365 /nfs/dbraw/zinc/70/83/65/491708365.db2.gz WBCFUQCAIJQEHD-GOSISDBHSA-N 2 1 373.501 0.554 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000579934148 491709799 /nfs/dbraw/zinc/70/97/99/491709799.db2.gz VCJGDBQAKGGTFB-GOSISDBHSA-N 2 1 360.502 0.960 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936419 491709977 /nfs/dbraw/zinc/70/99/77/491709977.db2.gz NGIXQMDAILKGTJ-JQHSSLGASA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936419 491709979 /nfs/dbraw/zinc/70/99/79/491709979.db2.gz NGIXQMDAILKGTJ-JQHSSLGASA-N 2 1 374.485 0.342 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781438 491714241 /nfs/dbraw/zinc/71/42/41/491714241.db2.gz OOGLTJXPRGIBIX-IAGOWNOFSA-N 2 1 374.485 0.886 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580172803 491720238 /nfs/dbraw/zinc/72/02/38/491720238.db2.gz ZXAAZFKGCLKMLB-DOTOQJQBSA-N 2 1 359.474 0.553 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1=O ZINC000580316058 491725857 /nfs/dbraw/zinc/72/58/57/491725857.db2.gz ULTBTIJVGAOUCR-NCOADZHNSA-N 2 1 366.506 0.284 20 0 FCADMP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000580533516 491734923 /nfs/dbraw/zinc/73/49/23/491734923.db2.gz VDODROFUVLPJDN-SJORKVTESA-N 2 1 365.522 0.001 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CC[NH2+]C3CC3)CC2)CC1 ZINC000580582738 491737419 /nfs/dbraw/zinc/73/74/19/491737419.db2.gz QMVVSHRYSMAQHH-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP O=S(=O)(C[C@@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000580824980 491747437 /nfs/dbraw/zinc/74/74/37/491747437.db2.gz HJGNZMLJXAWNEB-MRXNPFEDSA-N 2 1 368.503 0.550 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000660532342 493360128 /nfs/dbraw/zinc/36/01/28/493360128.db2.gz HAKUDEIFFUGGAU-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000580937250 491752178 /nfs/dbraw/zinc/75/21/78/491752178.db2.gz YBTMQBQZXCDKDB-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000580937250 491752180 /nfs/dbraw/zinc/75/21/80/491752180.db2.gz YBTMQBQZXCDKDB-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(CCO)CC3)CC2)CC1 ZINC000581080663 491758913 /nfs/dbraw/zinc/75/89/13/491758913.db2.gz UAGSBAKNSXKSGX-UHFFFAOYSA-N 2 1 352.523 0.319 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000581205575 491764052 /nfs/dbraw/zinc/76/40/52/491764052.db2.gz CBLCBIVRPJGYFY-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000581245470 491765656 /nfs/dbraw/zinc/76/56/56/491765656.db2.gz ZIUCJJGXIGYKHP-JKSUJKDBSA-N 2 1 372.469 0.828 20 0 FCADMP CN1C(=O)NCC12CC[NH+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000581306680 491767834 /nfs/dbraw/zinc/76/78/34/491767834.db2.gz SKUYYJWHSDEIAM-KRWDZBQOSA-N 2 1 373.501 0.895 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000581381676 491770857 /nfs/dbraw/zinc/77/08/57/491770857.db2.gz UTZHJPCMYFEYCH-YOEHRIQHSA-N 2 1 360.458 0.002 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000581381676 491770858 /nfs/dbraw/zinc/77/08/58/491770858.db2.gz UTZHJPCMYFEYCH-YOEHRIQHSA-N 2 1 360.458 0.002 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581426872 491772341 /nfs/dbraw/zinc/77/23/41/491772341.db2.gz NMUBYMQCLOVGDP-KRWDZBQOSA-N 2 1 354.458 0.818 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581426872 491772343 /nfs/dbraw/zinc/77/23/43/491772343.db2.gz NMUBYMQCLOVGDP-KRWDZBQOSA-N 2 1 354.458 0.818 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000581598194 491779316 /nfs/dbraw/zinc/77/93/16/491779316.db2.gz HXDZNAUZDARYOQ-UHFFFAOYSA-N 2 1 360.502 0.878 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000582434710 491812386 /nfs/dbraw/zinc/81/23/86/491812386.db2.gz HSUXFYHEJKINGR-PBFPGSCMSA-N 2 1 354.520 0.281 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCOC)C(=O)OC)CC2)CC1 ZINC000582616793 491820084 /nfs/dbraw/zinc/82/00/84/491820084.db2.gz MVRDALAFKHPJNI-KRWDZBQOSA-N 2 1 369.506 0.877 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582625904 491820565 /nfs/dbraw/zinc/82/05/65/491820565.db2.gz ANSPYUCQPIIYOM-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)Cc2ccccc2)C1 ZINC000582681547 491822425 /nfs/dbraw/zinc/82/24/25/491822425.db2.gz AYCDAYGQZAASJW-FHWLQOOXSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000582681547 491822426 /nfs/dbraw/zinc/82/24/26/491822426.db2.gz AYCDAYGQZAASJW-FHWLQOOXSA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000582681547 491822427 /nfs/dbraw/zinc/82/24/27/491822427.db2.gz AYCDAYGQZAASJW-FHWLQOOXSA-N 2 1 372.513 0.734 20 0 FCADMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000583131959 491838591 /nfs/dbraw/zinc/83/85/91/491838591.db2.gz PMGMQGUZIHETMF-CQSZACIVSA-N 2 1 358.442 0.412 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626838 491848892 /nfs/dbraw/zinc/84/88/92/491848892.db2.gz NGMMNGTXCQIPHI-UKRRQHHQSA-N 2 1 373.544 0.803 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000583626838 491848893 /nfs/dbraw/zinc/84/88/93/491848893.db2.gz NGMMNGTXCQIPHI-UKRRQHHQSA-N 2 1 373.544 0.803 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000583771516 491851796 /nfs/dbraw/zinc/85/17/96/491851796.db2.gz KUVZSTLYULEWDO-IXDOHACOSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000583771516 491851797 /nfs/dbraw/zinc/85/17/97/491851797.db2.gz KUVZSTLYULEWDO-IXDOHACOSA-N 2 1 356.511 0.440 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000583771516 491851798 /nfs/dbraw/zinc/85/17/98/491851798.db2.gz KUVZSTLYULEWDO-IXDOHACOSA-N 2 1 356.511 0.440 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000583812952 491852587 /nfs/dbraw/zinc/85/25/87/491852587.db2.gz ARLGTWPFBOJPCP-USXIJHARSA-N 2 1 360.458 0.226 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000583812952 491852588 /nfs/dbraw/zinc/85/25/88/491852588.db2.gz ARLGTWPFBOJPCP-USXIJHARSA-N 2 1 360.458 0.226 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000583881052 491854033 /nfs/dbraw/zinc/85/40/33/491854033.db2.gz QREQHFXKHUQFEM-MSOLQXFVSA-N 2 1 371.485 0.810 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000584257565 491861775 /nfs/dbraw/zinc/86/17/75/491861775.db2.gz YMUREDJEWZQARK-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257565 491861776 /nfs/dbraw/zinc/86/17/76/491861776.db2.gz YMUREDJEWZQARK-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257565 491861777 /nfs/dbraw/zinc/86/17/77/491861777.db2.gz YMUREDJEWZQARK-QKPAOTATSA-N 2 1 350.507 0.964 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881723 491870754 /nfs/dbraw/zinc/87/07/54/491870754.db2.gz GWKYYCKEALDNJF-IXDOHACOSA-N 2 1 357.458 0.064 20 0 FCADMP C[C@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000601006663 491893000 /nfs/dbraw/zinc/89/30/00/491893000.db2.gz PKOPSIURVUPSEF-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000601006663 491893001 /nfs/dbraw/zinc/89/30/01/491893001.db2.gz PKOPSIURVUPSEF-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006663 491893003 /nfs/dbraw/zinc/89/30/03/491893003.db2.gz PKOPSIURVUPSEF-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCc2ccccc2C1 ZINC000601006663 491893005 /nfs/dbraw/zinc/89/30/05/491893005.db2.gz PKOPSIURVUPSEF-CRAIPNDOSA-N 2 1 358.486 0.889 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000612544625 491931416 /nfs/dbraw/zinc/93/14/16/491931416.db2.gz FQQWWGGQNHARPP-OAHLLOKOSA-N 2 1 350.463 0.770 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000612546920 491932468 /nfs/dbraw/zinc/93/24/68/491932468.db2.gz XANLMNOWUHGXDV-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000612546920 491932469 /nfs/dbraw/zinc/93/24/69/491932469.db2.gz XANLMNOWUHGXDV-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546920 491932470 /nfs/dbraw/zinc/93/24/70/491932470.db2.gz XANLMNOWUHGXDV-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000612546920 491932471 /nfs/dbraw/zinc/93/24/71/491932471.db2.gz XANLMNOWUHGXDV-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000612549466 491933524 /nfs/dbraw/zinc/93/35/24/491933524.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000612549466 491933526 /nfs/dbraw/zinc/93/35/26/491933526.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000612549466 491933528 /nfs/dbraw/zinc/93/35/28/491933528.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000612549466 491933530 /nfs/dbraw/zinc/93/35/30/491933530.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000612549466 491933534 /nfs/dbraw/zinc/93/35/34/491933534.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612595852 491936850 /nfs/dbraw/zinc/93/68/50/491936850.db2.gz REGCMDYPWVQOMA-SJORKVTESA-N 2 1 366.506 0.297 20 0 FCADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612983602 491961134 /nfs/dbraw/zinc/96/11/34/491961134.db2.gz OMRORTKOCMFTBP-QZTJIDSGSA-N 2 1 358.486 0.847 20 0 FCADMP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595977509 491967764 /nfs/dbraw/zinc/96/77/64/491967764.db2.gz LMMCVCQHBAVWAJ-WBVHZDCISA-N 2 1 374.533 0.960 20 0 FCADMP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595977509 491967766 /nfs/dbraw/zinc/96/77/66/491967766.db2.gz LMMCVCQHBAVWAJ-WBVHZDCISA-N 2 1 374.533 0.960 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000603968787 492048219 /nfs/dbraw/zinc/04/82/19/492048219.db2.gz SLHBAHXSJIJUTC-SFHVURJKSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cn2)CC1 ZINC000604164245 492051956 /nfs/dbraw/zinc/05/19/56/492051956.db2.gz CSKHDWUZNZIPJA-MRXNPFEDSA-N 2 1 358.490 0.869 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604205976 492054471 /nfs/dbraw/zinc/05/44/71/492054471.db2.gz ZGCIPZMLJVFEFZ-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604653346 492066795 /nfs/dbraw/zinc/06/67/95/492066795.db2.gz QIKQOWMZSJPQMM-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604653346 492066797 /nfs/dbraw/zinc/06/67/97/492066797.db2.gz QIKQOWMZSJPQMM-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604653346 492066798 /nfs/dbraw/zinc/06/67/98/492066798.db2.gz QIKQOWMZSJPQMM-IAGOWNOFSA-N 2 1 353.511 0.034 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668225 492068079 /nfs/dbraw/zinc/06/80/79/492068079.db2.gz VQSKZSQOGRXPLZ-QZTJIDSGSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000604668225 492068082 /nfs/dbraw/zinc/06/80/82/492068082.db2.gz VQSKZSQOGRXPLZ-QZTJIDSGSA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000604668225 492068085 /nfs/dbraw/zinc/06/80/85/492068085.db2.gz VQSKZSQOGRXPLZ-QZTJIDSGSA-N 2 1 365.522 0.176 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000615231639 492080417 /nfs/dbraw/zinc/08/04/17/492080417.db2.gz UBURYDFEAPXAJJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000615231639 492080418 /nfs/dbraw/zinc/08/04/18/492080418.db2.gz UBURYDFEAPXAJJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CC1=O ZINC000615311486 492085698 /nfs/dbraw/zinc/08/56/98/492085698.db2.gz ZWRSHVBFILTXAD-YLFCFFPRSA-N 2 1 350.507 0.870 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000605884658 492104927 /nfs/dbraw/zinc/10/49/27/492104927.db2.gz UAYCHWUWODHFIN-GDBMZVCRSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000605884658 492104930 /nfs/dbraw/zinc/10/49/30/492104930.db2.gz UAYCHWUWODHFIN-GDBMZVCRSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000605884658 492104932 /nfs/dbraw/zinc/10/49/32/492104932.db2.gz UAYCHWUWODHFIN-GDBMZVCRSA-N 2 1 351.495 0.642 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000605882267 492105073 /nfs/dbraw/zinc/10/50/73/492105073.db2.gz ODCYFPOMQAWLDF-OAHLLOKOSA-N 2 1 356.511 0.896 20 0 FCADMP CN(CC1CC1)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000606457108 492122991 /nfs/dbraw/zinc/12/29/91/492122991.db2.gz BMOLMLWARCZEIX-UHFFFAOYSA-N 2 1 367.519 0.770 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000607245694 492142049 /nfs/dbraw/zinc/14/20/49/492142049.db2.gz YTEAFQBCGNRGBN-DLBZAZTESA-N 2 1 370.538 0.879 20 0 FCADMP C[NH+]1CCN(CC(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000599322803 492159866 /nfs/dbraw/zinc/15/98/66/492159866.db2.gz LVKFNEJKEVYTHG-UHFFFAOYSA-N 2 1 373.501 0.570 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608013494 492162749 /nfs/dbraw/zinc/16/27/49/492162749.db2.gz KGUAXJIGUHEIIJ-YLJYHZDGSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000599974011 492225214 /nfs/dbraw/zinc/22/52/14/492225214.db2.gz PKFOPOKLSBWWHH-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000600119194 492246091 /nfs/dbraw/zinc/24/60/91/492246091.db2.gz MQCJEQWAOGUCJZ-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000600119194 492246092 /nfs/dbraw/zinc/24/60/92/492246092.db2.gz MQCJEQWAOGUCJZ-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCSC)C(N)=O)CC2)CC1 ZINC000600262650 492254956 /nfs/dbraw/zinc/25/49/56/492254956.db2.gz HLSMLGNXOCBTDZ-INIZCTEOSA-N 2 1 370.563 0.906 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732328 492260363 /nfs/dbraw/zinc/26/03/63/492260363.db2.gz ANDAOSWYDITGMU-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732328 492260366 /nfs/dbraw/zinc/26/03/66/492260366.db2.gz ANDAOSWYDITGMU-MSOLQXFVSA-N 2 1 367.538 0.517 20 0 FCADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304609 492284906 /nfs/dbraw/zinc/28/49/06/492284906.db2.gz JFNUUQWHHMMMHS-LSDHHAIUSA-N 2 1 367.490 0.977 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000647517975 492302652 /nfs/dbraw/zinc/30/26/52/492302652.db2.gz YFYFHDCPURMTMK-CABCVRRESA-N 2 1 361.442 0.080 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641778746 492303511 /nfs/dbraw/zinc/30/35/11/492303511.db2.gz XZVBQBYIURPZHU-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641776492 492304246 /nfs/dbraw/zinc/30/42/46/492304246.db2.gz PZSDCTGQMQRXAV-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641776492 492304250 /nfs/dbraw/zinc/30/42/50/492304250.db2.gz PZSDCTGQMQRXAV-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641776492 492304254 /nfs/dbraw/zinc/30/42/54/492304254.db2.gz PZSDCTGQMQRXAV-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473277 492311290 /nfs/dbraw/zinc/31/12/90/492311290.db2.gz KSCKFWFHAIBYJI-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647566832 492312227 /nfs/dbraw/zinc/31/22/27/492312227.db2.gz DISQNGIWVSMIAE-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647566832 492312230 /nfs/dbraw/zinc/31/22/30/492312230.db2.gz DISQNGIWVSMIAE-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641832533 492313707 /nfs/dbraw/zinc/31/37/07/492313707.db2.gz STLJVWNCVYABED-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccn2)CC1 ZINC000620484440 492314265 /nfs/dbraw/zinc/31/42/65/492314265.db2.gz LJEGWTZLCCBVGT-GOSISDBHSA-N 2 1 373.501 0.505 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568457 492316309 /nfs/dbraw/zinc/31/63/09/492316309.db2.gz MRQROOCLYSNVFH-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568667 492317850 /nfs/dbraw/zinc/31/78/50/492317850.db2.gz RAVRVMBMRYOIMV-QGZVFWFLSA-N 2 1 359.474 0.673 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202076 492325874 /nfs/dbraw/zinc/32/58/74/492325874.db2.gz BOTFKYLMKAIYNY-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202076 492325877 /nfs/dbraw/zinc/32/58/77/492325877.db2.gz BOTFKYLMKAIYNY-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202076 492325882 /nfs/dbraw/zinc/32/58/82/492325882.db2.gz BOTFKYLMKAIYNY-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000642076160 492331645 /nfs/dbraw/zinc/33/16/45/492331645.db2.gz BAQIDJAZEUUBJU-INIZCTEOSA-N 2 1 366.506 0.396 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596993 492331917 /nfs/dbraw/zinc/33/19/17/492331917.db2.gz CINCZCYTBVBALW-ATLSCFEFSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656645 492334575 /nfs/dbraw/zinc/33/45/75/492334575.db2.gz WVWFWJRPBCWNJF-ZACQAIPSSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656645 492334579 /nfs/dbraw/zinc/33/45/79/492334579.db2.gz WVWFWJRPBCWNJF-ZACQAIPSSA-N 2 1 368.522 0.990 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000642101815 492334869 /nfs/dbraw/zinc/33/48/69/492334869.db2.gz QWZZGWAQHIXPJZ-SQNIBIBYSA-N 2 1 358.486 0.963 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654693602 492341357 /nfs/dbraw/zinc/34/13/57/492341357.db2.gz HTPCALTXYOHDLD-MRXNPFEDSA-N 2 1 364.494 0.117 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642253917 492346001 /nfs/dbraw/zinc/34/60/01/492346001.db2.gz QISVQODXIIXFPQ-ZWKOTPCHSA-N 2 1 374.485 0.201 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000654736555 492345982 /nfs/dbraw/zinc/34/59/82/492345982.db2.gz AYBJMNXFMYQOIX-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706206 492347844 /nfs/dbraw/zinc/34/78/44/492347844.db2.gz FNWURBSDWJWGSP-QRVBRYPASA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706206 492347848 /nfs/dbraw/zinc/34/78/48/492347848.db2.gz FNWURBSDWJWGSP-QRVBRYPASA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706206 492347850 /nfs/dbraw/zinc/34/78/50/492347850.db2.gz FNWURBSDWJWGSP-QRVBRYPASA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647706206 492347857 /nfs/dbraw/zinc/34/78/57/492347857.db2.gz FNWURBSDWJWGSP-QRVBRYPASA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647706206 492347861 /nfs/dbraw/zinc/34/78/61/492347861.db2.gz FNWURBSDWJWGSP-QRVBRYPASA-N 2 1 359.470 0.555 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642302684 492349153 /nfs/dbraw/zinc/34/91/53/492349153.db2.gz SPHYWFGFTWWHAW-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642302685 492349661 /nfs/dbraw/zinc/34/96/61/492349661.db2.gz SPHYWFGFTWWHAW-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330391 492352303 /nfs/dbraw/zinc/35/23/03/492352303.db2.gz DDYPIASYIDIATP-FZKCQIBNSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000642394743 492356857 /nfs/dbraw/zinc/35/68/57/492356857.db2.gz KXAZHBPDVXLSBV-RBSFLKMASA-N 2 1 354.495 0.249 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634707853 492361611 /nfs/dbraw/zinc/36/16/11/492361611.db2.gz MLSHDTADYDMRCF-XLIONFOSSA-N 2 1 371.485 0.966 20 0 FCADMP COCc1nc2n(n1)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634707853 492361613 /nfs/dbraw/zinc/36/16/13/492361613.db2.gz MLSHDTADYDMRCF-XLIONFOSSA-N 2 1 371.485 0.966 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835050 492369011 /nfs/dbraw/zinc/36/90/11/492369011.db2.gz KKNVOQMTFRZECG-JKSUJKDBSA-N 2 1 362.474 0.168 20 0 FCADMP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835050 492369015 /nfs/dbraw/zinc/36/90/15/492369015.db2.gz KKNVOQMTFRZECG-JKSUJKDBSA-N 2 1 362.474 0.168 20 0 FCADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835258 492369082 /nfs/dbraw/zinc/36/90/82/492369082.db2.gz SESBEOISCNPGDP-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835258 492369086 /nfs/dbraw/zinc/36/90/86/492369086.db2.gz SESBEOISCNPGDP-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP COc1ccc(CN(C)C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835274 492369225 /nfs/dbraw/zinc/36/92/25/492369225.db2.gz SPTVYIBWOHDMII-UHFFFAOYSA-N 2 1 364.490 0.499 20 0 FCADMP COc1ccc(CN(C)C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835274 492369228 /nfs/dbraw/zinc/36/92/28/492369228.db2.gz SPTVYIBWOHDMII-UHFFFAOYSA-N 2 1 364.490 0.499 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645858 492370209 /nfs/dbraw/zinc/37/02/09/492370209.db2.gz CFPMLRSNHJKKLN-RBUKOAKNSA-N 2 1 372.513 0.926 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645856 492370329 /nfs/dbraw/zinc/37/03/29/492370329.db2.gz CFPMLRSNHJKKLN-MOPGFXCFSA-N 2 1 372.513 0.926 20 0 FCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835822 492370417 /nfs/dbraw/zinc/37/04/17/492370417.db2.gz QDVSYOZSMZFKGR-CQSZACIVSA-N 2 1 354.445 0.849 20 0 FCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835822 492370420 /nfs/dbraw/zinc/37/04/20/492370420.db2.gz QDVSYOZSMZFKGR-CQSZACIVSA-N 2 1 354.445 0.849 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[NH2+]1 ZINC000642731745 492382521 /nfs/dbraw/zinc/38/25/21/492382521.db2.gz ZSAXCDUXWJPXMR-HUUCEWRRSA-N 2 1 352.504 0.923 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000654945766 492383115 /nfs/dbraw/zinc/38/31/15/492383115.db2.gz DRDVNGVPEHBARI-JKSUJKDBSA-N 2 1 362.478 0.516 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642750924 492385379 /nfs/dbraw/zinc/38/53/79/492385379.db2.gz XPWVNNGCLNBXFK-IYBDPMFKSA-N 2 1 352.523 0.977 20 0 FCADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937833 492385756 /nfs/dbraw/zinc/38/57/56/492385756.db2.gz CSUOZRICIRSFHW-WFASDCNBSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754796 492386632 /nfs/dbraw/zinc/38/66/32/492386632.db2.gz QJPRANWYMIDBPX-INIZCTEOSA-N 2 1 373.501 0.182 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000642778694 492389457 /nfs/dbraw/zinc/38/94/57/492389457.db2.gz CZMSWQAFDWBXJL-NVXWUHKLSA-N 2 1 371.485 0.817 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977443 492390316 /nfs/dbraw/zinc/39/03/16/492390316.db2.gz BJWBRCJGYCHMTN-QZTJIDSGSA-N 2 1 362.518 0.779 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978169 492390617 /nfs/dbraw/zinc/39/06/17/492390617.db2.gz NQYCQOSLOQNJMU-GJZGRUSLSA-N 2 1 374.489 0.145 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1ccccc1F ZINC000642785704 492392029 /nfs/dbraw/zinc/39/20/29/492392029.db2.gz DTKSVHSVCRXCCP-QILLFSRXSA-N 2 1 374.460 0.679 20 0 FCADMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cn2)CC1 ZINC000635099833 492392880 /nfs/dbraw/zinc/39/28/80/492392880.db2.gz OKYYSIVRJGXJTB-PBHICJAKSA-N 2 1 374.489 0.641 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000642902139 492398975 /nfs/dbraw/zinc/39/89/75/492398975.db2.gz LCFKLKGPOQSBTC-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000642907279 492401799 /nfs/dbraw/zinc/40/17/99/492401799.db2.gz LZZJXBXFPADEQD-RNONSGAXSA-N 2 1 366.506 0.473 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000642907279 492401802 /nfs/dbraw/zinc/40/18/02/492401802.db2.gz LZZJXBXFPADEQD-RNONSGAXSA-N 2 1 366.506 0.473 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000642910246 492402088 /nfs/dbraw/zinc/40/20/88/492402088.db2.gz BROIFVOSVZIQMQ-BHYGNILZSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000642910249 492402250 /nfs/dbraw/zinc/40/22/50/492402250.db2.gz BROIFVOSVZIQMQ-XIRDDKMYSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000642910325 492402589 /nfs/dbraw/zinc/40/25/89/492402589.db2.gz DPBFEQGNJHTMKL-UZLBHIALSA-N 2 1 358.486 0.965 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000642922023 492404764 /nfs/dbraw/zinc/40/47/64/492404764.db2.gz FGYKXMIUSAGGEO-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921474 492404908 /nfs/dbraw/zinc/40/49/08/492404908.db2.gz VMETVEWVCFQXRU-MSOLQXFVSA-N 2 1 373.501 0.041 20 0 FCADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NCC1C[NH2+]C1 ZINC000642927096 492405084 /nfs/dbraw/zinc/40/50/84/492405084.db2.gz PKKYFUQADWSMDT-MRXNPFEDSA-N 2 1 364.877 0.929 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643007697 492413441 /nfs/dbraw/zinc/41/34/41/492413441.db2.gz XSLLWAZJXNNZGS-FGTMMUONSA-N 2 1 358.486 0.963 20 0 FCADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072467 492418248 /nfs/dbraw/zinc/41/82/48/492418248.db2.gz KVWRAVKAYLMKLM-DNVCBOLYSA-N 2 1 374.485 0.789 20 0 FCADMP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2=O)c1 ZINC000643072467 492418251 /nfs/dbraw/zinc/41/82/51/492418251.db2.gz KVWRAVKAYLMKLM-DNVCBOLYSA-N 2 1 374.485 0.789 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843811 492424353 /nfs/dbraw/zinc/42/43/53/492424353.db2.gz LXTSJZMVMWMXCM-RCJHGTSTSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843920 492424605 /nfs/dbraw/zinc/42/46/05/492424605.db2.gz NLDYFEUYNKRSQD-GPMSIDNRSA-N 2 1 350.507 0.955 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655449722 492443830 /nfs/dbraw/zinc/44/38/30/492443830.db2.gz MWNVMFPWZWQQSV-LPHOPBHVSA-N 2 1 358.490 0.495 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000622031974 492445704 /nfs/dbraw/zinc/44/57/04/492445704.db2.gz XDWWYTNQUPDRBR-WAOWUJCRSA-N 2 1 370.497 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000622031974 492445708 /nfs/dbraw/zinc/44/57/08/492445708.db2.gz XDWWYTNQUPDRBR-WAOWUJCRSA-N 2 1 370.497 0.712 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000635463339 492452773 /nfs/dbraw/zinc/45/27/73/492452773.db2.gz LBPRNBGOKNLLTR-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000635463339 492452776 /nfs/dbraw/zinc/45/27/76/492452776.db2.gz LBPRNBGOKNLLTR-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000635463339 492452778 /nfs/dbraw/zinc/45/27/78/492452778.db2.gz LBPRNBGOKNLLTR-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000655596003 492461787 /nfs/dbraw/zinc/46/17/87/492461787.db2.gz WVRAJFMLXCDPNB-INIZCTEOSA-N 2 1 353.511 0.762 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528235 492463878 /nfs/dbraw/zinc/46/38/78/492463878.db2.gz PMLAGRUEALWXEO-WMZOPIPTSA-N 2 1 369.473 0.968 20 0 FCADMP COC[C@@](C)(CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000635566489 492473235 /nfs/dbraw/zinc/47/32/35/492473235.db2.gz YOZDFQMVDGJLCS-TXPKVOOTSA-N 2 1 368.522 0.593 20 0 FCADMP COC[C@@](C)(CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635566489 492473239 /nfs/dbraw/zinc/47/32/39/492473239.db2.gz YOZDFQMVDGJLCS-TXPKVOOTSA-N 2 1 368.522 0.593 20 0 FCADMP COC[C@@](C)(CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635566489 492473243 /nfs/dbraw/zinc/47/32/43/492473243.db2.gz YOZDFQMVDGJLCS-TXPKVOOTSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CC3C2)CC[NH+]1C ZINC000648916849 492474764 /nfs/dbraw/zinc/47/47/64/492474764.db2.gz QGNIQJHXRPZEEK-FPPVNLLCSA-N 2 1 362.518 0.584 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635571790 492474971 /nfs/dbraw/zinc/47/49/71/492474971.db2.gz CRBGQWZPSMLOEX-AEFFLSMTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635571790 492474972 /nfs/dbraw/zinc/47/49/72/492474972.db2.gz CRBGQWZPSMLOEX-AEFFLSMTSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635571790 492474973 /nfs/dbraw/zinc/47/49/73/492474973.db2.gz CRBGQWZPSMLOEX-AEFFLSMTSA-N 2 1 350.507 0.526 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000635572747 492475421 /nfs/dbraw/zinc/47/54/21/492475421.db2.gz OLUVTDLPAQJVLK-FQEVSTJZSA-N 2 1 374.529 0.684 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000635572747 492475426 /nfs/dbraw/zinc/47/54/26/492475426.db2.gz OLUVTDLPAQJVLK-FQEVSTJZSA-N 2 1 374.529 0.684 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000635572747 492475429 /nfs/dbraw/zinc/47/54/29/492475429.db2.gz OLUVTDLPAQJVLK-FQEVSTJZSA-N 2 1 374.529 0.684 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000635572747 492475432 /nfs/dbraw/zinc/47/54/32/492475432.db2.gz OLUVTDLPAQJVLK-FQEVSTJZSA-N 2 1 374.529 0.684 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643480996 492476867 /nfs/dbraw/zinc/47/68/67/492476867.db2.gz SSUMXBKHEROUOF-RBUKOAKNSA-N 2 1 370.497 0.789 20 0 FCADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OCC(N)=O ZINC000655702251 492477265 /nfs/dbraw/zinc/47/72/65/492477265.db2.gz QEYOXVUYLMKAAO-MRXNPFEDSA-N 2 1 363.458 0.902 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643483674 492478150 /nfs/dbraw/zinc/47/81/50/492478150.db2.gz BHWPOCVDIVWOHU-FHWLQOOXSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000655777700 492479304 /nfs/dbraw/zinc/47/93/04/492479304.db2.gz WEKNJRVIGBPJHU-IBGZPJMESA-N 3 1 366.550 0.626 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643513331 492486427 /nfs/dbraw/zinc/48/64/27/492486427.db2.gz WDADVJFRQVOJPR-OWCLPIDISA-N 2 1 359.474 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643531718 492490530 /nfs/dbraw/zinc/49/05/30/492490530.db2.gz ARWBCGPVYHTOTA-BPQIPLTHSA-N 2 1 358.486 0.915 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000643531818 492491496 /nfs/dbraw/zinc/49/14/96/492491496.db2.gz NUZHLSKKONDHKA-SFHVURJKSA-N 2 1 358.486 0.917 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643531849 492492113 /nfs/dbraw/zinc/49/21/13/492492113.db2.gz PRYRZVSUDGSPAK-GHTZIAJQSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000643541526 492495382 /nfs/dbraw/zinc/49/53/82/492495382.db2.gz RPUYGGLQLSCEAW-BGTYHANMSA-N 2 1 356.470 0.382 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC[N@@H+]1CCOC ZINC000643544986 492496064 /nfs/dbraw/zinc/49/60/64/492496064.db2.gz GENGWWKSICYRJY-HNNXBMFYSA-N 2 1 354.495 0.286 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC[N@H+]1CCOC ZINC000643544986 492496067 /nfs/dbraw/zinc/49/60/67/492496067.db2.gz GENGWWKSICYRJY-HNNXBMFYSA-N 2 1 354.495 0.286 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549772 492496937 /nfs/dbraw/zinc/49/69/37/492496937.db2.gz OTVPMSLWVOBUOV-CGTJXYLNSA-N 2 1 362.518 0.918 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643549725 492497065 /nfs/dbraw/zinc/49/70/65/492497065.db2.gz GMZWSSWERQLMHH-SYNHAJSKSA-N 2 1 360.502 0.674 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549864 492497446 /nfs/dbraw/zinc/49/74/46/492497446.db2.gz WWCSBHYTVAZUOU-OTRWWLKZSA-N 2 1 364.490 0.036 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643550013 492497653 /nfs/dbraw/zinc/49/76/53/492497653.db2.gz TVHDYUSKJFNZSN-RUGDWHBFSA-N 2 1 374.460 0.631 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)[C@H]2C1 ZINC000643549990 492497686 /nfs/dbraw/zinc/49/76/86/492497686.db2.gz OAHYACVRLAZESH-HYVNUMGLSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643591633 492501634 /nfs/dbraw/zinc/50/16/34/492501634.db2.gz WJFXMAPPMGRTRG-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000643593002 492502643 /nfs/dbraw/zinc/50/26/43/492502643.db2.gz AUPCGFSXFYZMSV-QGZVFWFLSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000643593002 492502646 /nfs/dbraw/zinc/50/26/46/492502646.db2.gz AUPCGFSXFYZMSV-QGZVFWFLSA-N 2 1 358.486 0.712 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000649272185 492516885 /nfs/dbraw/zinc/51/68/85/492516885.db2.gz VLZINLDZYDMHNP-UHFFFAOYSA-N 2 1 359.518 0.411 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649310464 492528648 /nfs/dbraw/zinc/52/86/48/492528648.db2.gz KBPAZKXTRLZOAR-HALDLXJZSA-N 2 1 358.442 0.487 20 0 FCADMP COc1ccc(CN2CC[C@@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000635959035 492533894 /nfs/dbraw/zinc/53/38/94/492533894.db2.gz AWYPNRVOAAXHEU-HXUWFJFHSA-N 2 1 372.513 0.975 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC000649367828 492548378 /nfs/dbraw/zinc/54/83/78/492548378.db2.gz DHKSCBLJJNCRBT-ZWKOTPCHSA-N 2 1 369.473 0.960 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC000649367828 492548379 /nfs/dbraw/zinc/54/83/79/492548379.db2.gz DHKSCBLJJNCRBT-ZWKOTPCHSA-N 2 1 369.473 0.960 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)C1 ZINC000623636302 492576719 /nfs/dbraw/zinc/57/67/19/492576719.db2.gz KFTOFZFFHSILTN-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)C1 ZINC000623636302 492576723 /nfs/dbraw/zinc/57/67/23/492576723.db2.gz KFTOFZFFHSILTN-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000656300259 492577829 /nfs/dbraw/zinc/57/78/29/492577829.db2.gz MZYRDHDUGZXHCX-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000636315253 492580093 /nfs/dbraw/zinc/58/00/93/492580093.db2.gz JUDDPCYICAQIGT-MRXNPFEDSA-N 2 1 368.547 0.436 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354525 492609212 /nfs/dbraw/zinc/60/92/12/492609212.db2.gz GIMVHQXIYKJHDO-DLBZAZTESA-N 3 1 367.538 0.071 20 0 FCADMP c1nnc2ccc(N3CC[C@@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)C3)nn12 ZINC000624117746 492621637 /nfs/dbraw/zinc/62/16/37/492621637.db2.gz VTENEGLDBWFFSF-SJORKVTESA-N 2 1 371.489 0.936 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636566692 492623971 /nfs/dbraw/zinc/62/39/71/492623971.db2.gz KSDJJBTVMLBCGC-GOSISDBHSA-N 2 1 361.490 0.174 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636566692 492623974 /nfs/dbraw/zinc/62/39/74/492623974.db2.gz KSDJJBTVMLBCGC-GOSISDBHSA-N 2 1 361.490 0.174 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000629577222 492654504 /nfs/dbraw/zinc/65/45/04/492654504.db2.gz FTLNHRLCXDEWHY-UHFFFAOYSA-N 2 1 363.462 0.270 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000629577222 492654512 /nfs/dbraw/zinc/65/45/12/492654512.db2.gz FTLNHRLCXDEWHY-UHFFFAOYSA-N 2 1 363.462 0.270 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000629579040 492655291 /nfs/dbraw/zinc/65/52/91/492655291.db2.gz PBLJLRWMESBRRC-UHFFFAOYSA-N 2 1 368.522 0.535 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000629579040 492655295 /nfs/dbraw/zinc/65/52/95/492655295.db2.gz PBLJLRWMESBRRC-UHFFFAOYSA-N 2 1 368.522 0.535 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC[C@@H]1[NH3+] ZINC000644226592 492672970 /nfs/dbraw/zinc/67/29/70/492672970.db2.gz OFKRRMYGZHGLAC-CABCVRRESA-N 2 1 354.495 0.141 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793254 492673979 /nfs/dbraw/zinc/67/39/79/492673979.db2.gz DNSVMPIBCZCSOD-DLBZAZTESA-N 2 1 368.522 0.533 20 0 FCADMP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913911 492703607 /nfs/dbraw/zinc/70/36/07/492703607.db2.gz PPMYOXWRXSNVHD-IBGZPJMESA-N 2 1 360.502 0.772 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000630825445 492777288 /nfs/dbraw/zinc/77/72/88/492777288.db2.gz HBEXZHLZNMIBIA-DTTOXWODSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000630825437 492777494 /nfs/dbraw/zinc/77/74/94/492777494.db2.gz HBEXZHLZNMIBIA-DTDBQYNISA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000630825437 492777495 /nfs/dbraw/zinc/77/74/95/492777495.db2.gz HBEXZHLZNMIBIA-DTDBQYNISA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000630825437 492777496 /nfs/dbraw/zinc/77/74/96/492777496.db2.gz HBEXZHLZNMIBIA-DTDBQYNISA-N 2 1 360.502 0.718 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644562711 492785543 /nfs/dbraw/zinc/78/55/43/492785543.db2.gz LXPNLJPAYRHACD-CEXWTWQISA-N 2 1 356.555 0.464 20 0 FCADMP Cn1nccc1[C@H]1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC(=O)N1C1CC1 ZINC000644644171 492794879 /nfs/dbraw/zinc/79/48/79/492794879.db2.gz KMLBUABLTMIHHX-FRQCXROJSA-N 2 1 361.490 0.659 20 0 FCADMP Cn1nccc1[C@H]1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC(=O)N1C1CC1 ZINC000644644171 492794885 /nfs/dbraw/zinc/79/48/85/492794885.db2.gz KMLBUABLTMIHHX-FRQCXROJSA-N 2 1 361.490 0.659 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375359 492814126 /nfs/dbraw/zinc/81/41/26/492814126.db2.gz IWHZSAJHJQRZNH-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375359 492814127 /nfs/dbraw/zinc/81/41/27/492814127.db2.gz IWHZSAJHJQRZNH-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375359 492814129 /nfs/dbraw/zinc/81/41/29/492814129.db2.gz IWHZSAJHJQRZNH-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637376732 492815881 /nfs/dbraw/zinc/81/58/81/492815881.db2.gz MXUKYCIYTZDLTF-CVEARBPZSA-N 2 1 369.510 0.078 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cn1 ZINC000651942985 492851167 /nfs/dbraw/zinc/85/11/67/492851167.db2.gz YRKXQUMHBYLCCC-UHFFFAOYSA-N 2 1 350.467 0.374 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849584 492862966 /nfs/dbraw/zinc/86/29/66/492862966.db2.gz NRXJPIJJMPIWTO-SNRMKQJTSA-N 2 1 358.486 0.570 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652154389 492887965 /nfs/dbraw/zinc/88/79/65/492887965.db2.gz DKKREGWUHDECPI-LUKYLMHMSA-N 2 1 354.495 0.635 20 0 FCADMP C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)CN1CC[NH+](C)CC1 ZINC000652158561 492889190 /nfs/dbraw/zinc/88/91/90/492889190.db2.gz FPOQEKOUDJEESW-AWEZNQCLSA-N 2 1 351.470 0.967 20 0 FCADMP CCCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645296000 492889841 /nfs/dbraw/zinc/88/98/41/492889841.db2.gz CBRNNHJWFQOQJK-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000645296000 492889845 /nfs/dbraw/zinc/88/98/45/492889845.db2.gz CBRNNHJWFQOQJK-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000645296000 492889848 /nfs/dbraw/zinc/88/98/48/492889848.db2.gz CBRNNHJWFQOQJK-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638109780 492908622 /nfs/dbraw/zinc/90/86/22/492908622.db2.gz GUQGJBIMBLDMOA-UHFFFAOYSA-N 2 1 358.486 0.544 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC2 ZINC000652337563 492911647 /nfs/dbraw/zinc/91/16/47/492911647.db2.gz UTYQQIIOIQKBFW-MRXNPFEDSA-N 2 1 361.490 0.862 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000632022245 492912684 /nfs/dbraw/zinc/91/26/84/492912684.db2.gz DDPXEDBTDMWLMC-SFHVURJKSA-N 2 1 367.515 0.637 20 0 FCADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000632022245 492912687 /nfs/dbraw/zinc/91/26/87/492912687.db2.gz DDPXEDBTDMWLMC-SFHVURJKSA-N 2 1 367.515 0.637 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000638137087 492915659 /nfs/dbraw/zinc/91/56/59/492915659.db2.gz RDXRGXVUJHHVKI-UYAOXDASSA-N 2 1 360.502 0.817 20 0 FCADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638175374 492920441 /nfs/dbraw/zinc/92/04/41/492920441.db2.gz ZVWBPWYFCYILJZ-KVSKMBFKSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638222077 492923757 /nfs/dbraw/zinc/92/37/57/492923757.db2.gz IKTSXNGTYWTHGH-BHYGNILZSA-N 2 1 357.458 0.826 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@@H+]1C ZINC000652427070 492929456 /nfs/dbraw/zinc/92/94/56/492929456.db2.gz VSSMVYKPIICIFB-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000652427070 492929460 /nfs/dbraw/zinc/92/94/60/492929460.db2.gz VSSMVYKPIICIFB-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000652427070 492929461 /nfs/dbraw/zinc/92/94/61/492929461.db2.gz VSSMVYKPIICIFB-BBWFWOEESA-N 2 1 353.511 0.127 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000658529699 492930676 /nfs/dbraw/zinc/93/06/76/492930676.db2.gz JLZXLXBBJQTZGW-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000658529699 492930678 /nfs/dbraw/zinc/93/06/78/492930678.db2.gz JLZXLXBBJQTZGW-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638347128 492938451 /nfs/dbraw/zinc/93/84/51/492938451.db2.gz LMYVVXFHJWIWRC-IEBWSBKVSA-N 2 1 360.502 0.863 20 0 FCADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638361975 492940952 /nfs/dbraw/zinc/94/09/52/492940952.db2.gz WOGGWBUWXLCIQL-UHFFFAOYSA-N 2 1 354.520 0.841 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652492098 492950378 /nfs/dbraw/zinc/95/03/78/492950378.db2.gz WSUPJRIFEYWMML-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000645688891 492960635 /nfs/dbraw/zinc/96/06/35/492960635.db2.gz CPOHZMBNPCTVRP-MRXNPFEDSA-N 2 1 371.445 0.329 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000645688891 492960639 /nfs/dbraw/zinc/96/06/39/492960639.db2.gz CPOHZMBNPCTVRP-MRXNPFEDSA-N 2 1 371.445 0.329 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000638748044 492974766 /nfs/dbraw/zinc/97/47/66/492974766.db2.gz GSCCGVFNIZROTF-IRXDYDNUSA-N 2 1 353.488 0.801 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638804860 492979880 /nfs/dbraw/zinc/97/98/80/492979880.db2.gz YEWVTDWWYHXSSY-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652675283 492985740 /nfs/dbraw/zinc/98/57/40/492985740.db2.gz SOZYAAZCZGELLB-GASCZTMLSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652675283 492985744 /nfs/dbraw/zinc/98/57/44/492985744.db2.gz SOZYAAZCZGELLB-GASCZTMLSA-N 2 1 368.522 0.496 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652676906 492985894 /nfs/dbraw/zinc/98/58/94/492985894.db2.gz KFVKYVWMHOWZMO-QGZVFWFLSA-N 2 1 352.523 0.977 20 0 FCADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925577 492987234 /nfs/dbraw/zinc/98/72/34/492987234.db2.gz BCZSHPNXOXSETO-HNNXBMFYSA-N 2 1 361.490 0.691 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684085 492989692 /nfs/dbraw/zinc/98/96/92/492989692.db2.gz FJJOXYNXPZJXKF-ZOBUZTSGSA-N 2 1 366.506 0.332 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684083 492989862 /nfs/dbraw/zinc/98/98/62/492989862.db2.gz FJJOXYNXPZJXKF-YQQAZPJKSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000652697008 492992941 /nfs/dbraw/zinc/99/29/41/492992941.db2.gz VSGUMDNCOAFEFH-UHOSZYNNSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000652697008 492992945 /nfs/dbraw/zinc/99/29/45/492992945.db2.gz VSGUMDNCOAFEFH-UHOSZYNNSA-N 2 1 372.513 0.876 20 0 FCADMP [NH3+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000639032356 492993027 /nfs/dbraw/zinc/99/30/27/492993027.db2.gz UEIYULRIGOHVMV-BZUAXINKSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701987 492994567 /nfs/dbraw/zinc/99/45/67/492994567.db2.gz MWFWXDHRCQKGNH-NJAFHUGGSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701987 492994569 /nfs/dbraw/zinc/99/45/69/492994569.db2.gz MWFWXDHRCQKGNH-NJAFHUGGSA-N 2 1 358.486 0.628 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000646009476 493000494 /nfs/dbraw/zinc/00/04/94/493000494.db2.gz MDSDRMPXTDVPRX-TZIWHRDSSA-N 2 1 372.513 0.440 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000646009626 493000808 /nfs/dbraw/zinc/00/08/08/493000808.db2.gz YCLMNHIBKHYBPN-FGTMMUONSA-N 2 1 352.523 0.535 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009544 493000956 /nfs/dbraw/zinc/00/09/56/493000956.db2.gz QOWCFIMTMGKDQR-MDZRGWNJSA-N 2 1 368.522 0.042 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1(C)C ZINC000646009542 493001012 /nfs/dbraw/zinc/00/10/12/493001012.db2.gz QOWCFIMTMGKDQR-FRQCXROJSA-N 2 1 368.522 0.042 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736281 493012556 /nfs/dbraw/zinc/01/25/56/493012556.db2.gz CCRYQACBHARVFT-OTWHNJEPSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736281 493012557 /nfs/dbraw/zinc/01/25/57/493012557.db2.gz CCRYQACBHARVFT-OTWHNJEPSA-N 2 1 370.497 0.582 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652737121 493012924 /nfs/dbraw/zinc/01/29/24/493012924.db2.gz ZWXKCGPKCJDWHC-VQIMIIECSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652737121 493012928 /nfs/dbraw/zinc/01/29/28/493012928.db2.gz ZWXKCGPKCJDWHC-VQIMIIECSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652737119 493013411 /nfs/dbraw/zinc/01/34/11/493013411.db2.gz ZWXKCGPKCJDWHC-LPHOPBHVSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652737119 493013414 /nfs/dbraw/zinc/01/34/14/493013414.db2.gz ZWXKCGPKCJDWHC-LPHOPBHVSA-N 2 1 372.513 0.958 20 0 FCADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000646139754 493018312 /nfs/dbraw/zinc/01/83/12/493018312.db2.gz YWLJNRMUGJLSGB-GVDBMIGSSA-N 2 1 359.536 0.338 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000658712075 493022309 /nfs/dbraw/zinc/02/23/09/493022309.db2.gz QQLGWICYIWTVPL-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000658712075 493022314 /nfs/dbraw/zinc/02/23/14/493022314.db2.gz QQLGWICYIWTVPL-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000658712075 493022317 /nfs/dbraw/zinc/02/23/17/493022317.db2.gz QQLGWICYIWTVPL-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000658712075 493022320 /nfs/dbraw/zinc/02/23/20/493022320.db2.gz QQLGWICYIWTVPL-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)CC2)c1 ZINC000658714748 493024995 /nfs/dbraw/zinc/02/49/95/493024995.db2.gz RACXFPFDJRRNJC-FQEVSTJZSA-N 2 1 371.485 0.593 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)CC2)c1 ZINC000658714748 493024999 /nfs/dbraw/zinc/02/49/99/493024999.db2.gz RACXFPFDJRRNJC-FQEVSTJZSA-N 2 1 371.485 0.593 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683001 493030760 /nfs/dbraw/zinc/03/07/60/493030760.db2.gz PRRJGYQVQSXXDP-UHFFFAOYSA-N 2 1 364.475 0.306 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683001 493030763 /nfs/dbraw/zinc/03/07/63/493030763.db2.gz PRRJGYQVQSXXDP-UHFFFAOYSA-N 2 1 364.475 0.306 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000626848786 493035645 /nfs/dbraw/zinc/03/56/45/493035645.db2.gz VSXUAQIMUXRASG-WFASDCNBSA-N 2 1 361.446 0.101 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000626880090 493045734 /nfs/dbraw/zinc/04/57/34/493045734.db2.gz ZUMKWKRKKQLXNP-MAUKXSAKSA-N 2 1 374.485 0.962 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)CC1 ZINC000639771822 493048461 /nfs/dbraw/zinc/04/84/61/493048461.db2.gz YAQIKKRWOGYVAD-QGZVFWFLSA-N 2 1 370.563 0.290 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)CC1 ZINC000639771822 493048463 /nfs/dbraw/zinc/04/84/63/493048463.db2.gz YAQIKKRWOGYVAD-QGZVFWFLSA-N 2 1 370.563 0.290 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000653078864 493068118 /nfs/dbraw/zinc/06/81/18/493068118.db2.gz LWOANEWAUBNCFY-CYBMUJFWSA-N 2 1 354.417 0.379 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CCO1 ZINC000653112859 493072047 /nfs/dbraw/zinc/07/20/47/493072047.db2.gz LGVIHNKADOBUSZ-BPAFIMBUSA-N 2 1 359.470 0.760 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CCO1 ZINC000653112859 493072050 /nfs/dbraw/zinc/07/20/50/493072050.db2.gz LGVIHNKADOBUSZ-BPAFIMBUSA-N 2 1 359.470 0.760 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123296 493075104 /nfs/dbraw/zinc/07/51/04/493075104.db2.gz UMJJMBMCVLDEBB-CRAIPNDOSA-N 2 1 364.490 0.673 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123296 493075108 /nfs/dbraw/zinc/07/51/08/493075108.db2.gz UMJJMBMCVLDEBB-CRAIPNDOSA-N 2 1 364.490 0.673 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626986060 493075554 /nfs/dbraw/zinc/07/55/54/493075554.db2.gz OLZBGKRELMYIIR-DLBZAZTESA-N 2 1 361.490 0.485 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124983 493076596 /nfs/dbraw/zinc/07/65/96/493076596.db2.gz ONNCQOARSGBCSM-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000627003131 493078600 /nfs/dbraw/zinc/07/86/00/493078600.db2.gz HROTXDOEWVLYGN-QNWHQSFQSA-N 2 1 352.401 0.874 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003131 493078604 /nfs/dbraw/zinc/07/86/04/493078604.db2.gz HROTXDOEWVLYGN-QNWHQSFQSA-N 2 1 352.401 0.874 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000627011957 493079884 /nfs/dbraw/zinc/07/98/84/493079884.db2.gz NJINSZONBYLMIR-KRWDZBQOSA-N 2 1 350.463 0.370 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627019895 493081502 /nfs/dbraw/zinc/08/15/02/493081502.db2.gz UKEONGVMLGGRGA-GOSISDBHSA-N 2 1 364.490 0.894 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC[C@H]1COCC[NH2+]1 ZINC000627019900 493082110 /nfs/dbraw/zinc/08/21/10/493082110.db2.gz UPGNXSXZJRPEGA-DLBZAZTESA-N 2 1 364.515 0.892 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC[C@H]1COCC[NH2+]1 ZINC000627019900 493082113 /nfs/dbraw/zinc/08/21/13/493082113.db2.gz UPGNXSXZJRPEGA-DLBZAZTESA-N 2 1 364.515 0.892 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653260797 493087121 /nfs/dbraw/zinc/08/71/21/493087121.db2.gz LGPRJRXKBVZYCK-KSZLIROESA-N 2 1 352.523 0.901 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000627226120 493110917 /nfs/dbraw/zinc/11/09/17/493110917.db2.gz NHVMKXBXYOORFA-GOSISDBHSA-N 2 1 369.473 0.840 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@H+](C2CCC2)C1 ZINC000627233324 493113537 /nfs/dbraw/zinc/11/35/37/493113537.db2.gz DVBIJUBAHKRXNT-WMLDXEAASA-N 2 1 361.494 0.828 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633079644 493117245 /nfs/dbraw/zinc/11/72/45/493117245.db2.gz YRMFQRUTRRTTBU-BZSNNMDCSA-N 2 1 356.470 0.682 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633089942 493120638 /nfs/dbraw/zinc/12/06/38/493120638.db2.gz TXWFYZUZVRLYRM-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627263818 493123720 /nfs/dbraw/zinc/12/37/20/493123720.db2.gz JJMCLKKDFUKLCZ-HUUCEWRRSA-N 2 1 358.446 0.504 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627263818 493123723 /nfs/dbraw/zinc/12/37/23/493123723.db2.gz JJMCLKKDFUKLCZ-HUUCEWRRSA-N 2 1 358.446 0.504 20 0 FCADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633108624 493130190 /nfs/dbraw/zinc/13/01/90/493130190.db2.gz ZBVQEXWAACPHFW-XLAORIBOSA-N 2 1 354.454 0.292 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000633143470 493135630 /nfs/dbraw/zinc/13/56/30/493135630.db2.gz LYLIZYFUTJQSKG-IAGOWNOFSA-N 2 1 373.501 0.215 20 0 FCADMP CCCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646980798 493139680 /nfs/dbraw/zinc/13/96/80/493139680.db2.gz XZPRAZIYYXPFHT-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646980798 493139690 /nfs/dbraw/zinc/13/96/90/493139690.db2.gz XZPRAZIYYXPFHT-KRWDZBQOSA-N 2 1 367.538 0.071 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646988965 493141735 /nfs/dbraw/zinc/14/17/35/493141735.db2.gz YNFGTIHPEDYTRX-RHSMWYFYSA-N 2 1 356.536 0.483 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627303120 493142484 /nfs/dbraw/zinc/14/24/84/493142484.db2.gz HYHBEAWIHRVILG-MSOLQXFVSA-N 2 1 374.485 0.119 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000627305007 493143198 /nfs/dbraw/zinc/14/31/98/493143198.db2.gz LJDYWHOHZBYVRZ-FDYHWXHSSA-N 2 1 364.412 0.571 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000633316224 493145080 /nfs/dbraw/zinc/14/50/80/493145080.db2.gz CMMWELBOTTWSRW-NWCWSAAOSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316224 493145084 /nfs/dbraw/zinc/14/50/84/493145084.db2.gz CMMWELBOTTWSRW-NWCWSAAOSA-N 2 1 360.502 0.338 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000633316224 493145087 /nfs/dbraw/zinc/14/50/87/493145087.db2.gz CMMWELBOTTWSRW-NWCWSAAOSA-N 2 1 360.502 0.338 20 0 FCADMP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647052334 493153118 /nfs/dbraw/zinc/15/31/18/493153118.db2.gz XWGJNYNZQPFOCU-HZPDHXFCSA-N 2 1 359.474 0.719 20 0 FCADMP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CCN(C)C1 ZINC000647052334 493153121 /nfs/dbraw/zinc/15/31/21/493153121.db2.gz XWGJNYNZQPFOCU-HZPDHXFCSA-N 2 1 359.474 0.719 20 0 FCADMP CCCN(C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647052335 493153697 /nfs/dbraw/zinc/15/36/97/493153697.db2.gz XWGJNYNZQPFOCU-JKSUJKDBSA-N 2 1 359.474 0.719 20 0 FCADMP CCCN(C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)[C@@H]1CCN(C)C1 ZINC000647052335 493153700 /nfs/dbraw/zinc/15/37/00/493153700.db2.gz XWGJNYNZQPFOCU-JKSUJKDBSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000627335017 493158923 /nfs/dbraw/zinc/15/89/23/493158923.db2.gz ILMZBYDPHNEGIB-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149355 493173238 /nfs/dbraw/zinc/17/32/38/493173238.db2.gz FPPBQQRRUCGSCY-GOSISDBHSA-N 2 1 371.485 0.738 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000641167204 493174331 /nfs/dbraw/zinc/17/43/31/493174331.db2.gz FMOQBHATZAXNAJ-KRWDZBQOSA-N 2 1 363.510 0.062 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000627357618 493174339 /nfs/dbraw/zinc/17/43/39/493174339.db2.gz LCJXMQGDOPNWNB-MSOLQXFVSA-N 2 1 374.485 0.044 20 0 FCADMP CN(CCC[NH3+])Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641180856 493176690 /nfs/dbraw/zinc/17/66/90/493176690.db2.gz MUKXHTMKPOVMIM-UHFFFAOYSA-N 2 1 358.490 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367085 493181713 /nfs/dbraw/zinc/18/17/13/493181713.db2.gz JUUYUKTXYHOAHV-NVXWUHKLSA-N 2 1 362.474 0.057 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659455564 493184252 /nfs/dbraw/zinc/18/42/52/493184252.db2.gz BSIGQJMUJMEADO-LYGPFTKASA-N 2 1 358.490 0.725 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641221770 493184300 /nfs/dbraw/zinc/18/43/00/493184300.db2.gz HZWKXLPVUPVUIO-IEBWSBKVSA-N 2 1 359.474 0.994 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641221770 493184305 /nfs/dbraw/zinc/18/43/05/493184305.db2.gz HZWKXLPVUPVUIO-IEBWSBKVSA-N 2 1 359.474 0.994 20 0 FCADMP C[NH+]1CCN(Cc2cn(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000641229023 493185763 /nfs/dbraw/zinc/18/57/63/493185763.db2.gz FXCJZFBEEXSAIG-HXUWFJFHSA-N 2 1 370.501 0.663 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000672593303 493211604 /nfs/dbraw/zinc/21/16/04/493211604.db2.gz JIDFRFKGLPFVNK-RHSMWYFYSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593303 493211606 /nfs/dbraw/zinc/21/16/06/493211606.db2.gz JIDFRFKGLPFVNK-RHSMWYFYSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593303 493211610 /nfs/dbraw/zinc/21/16/10/493211610.db2.gz JIDFRFKGLPFVNK-RHSMWYFYSA-N 2 1 364.465 0.973 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](c2ccccc2)C1 ZINC000659632758 493225326 /nfs/dbraw/zinc/22/53/26/493225326.db2.gz FTMLZLMEUPPDFP-OAHLLOKOSA-N 2 1 356.430 0.839 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H](C)C[NH2+]C)CC2)CC1 ZINC000659646951 493228662 /nfs/dbraw/zinc/22/86/62/493228662.db2.gz QXCFASUOVPYNBI-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000672695789 493234712 /nfs/dbraw/zinc/23/47/12/493234712.db2.gz HWZKCADPQCKZQN-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000666977702 493244012 /nfs/dbraw/zinc/24/40/12/493244012.db2.gz HGIFAZBBRWAGBJ-IRXDYDNUSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000666976978 493244184 /nfs/dbraw/zinc/24/41/84/493244184.db2.gz UBQHXFDOJUJHAV-NVXWUHKLSA-N 2 1 368.522 0.726 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000659677963 493247544 /nfs/dbraw/zinc/24/75/44/493247544.db2.gz UXEUKHPIENDEIN-KRWDZBQOSA-N 2 1 374.485 0.257 20 0 FCADMP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672788149 493250224 /nfs/dbraw/zinc/25/02/24/493250224.db2.gz MONMRZYGLCJWPR-KRWDZBQOSA-N 2 1 361.490 0.268 20 0 FCADMP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672788149 493250227 /nfs/dbraw/zinc/25/02/27/493250227.db2.gz MONMRZYGLCJWPR-KRWDZBQOSA-N 2 1 361.490 0.268 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC000667054745 493254904 /nfs/dbraw/zinc/25/49/04/493254904.db2.gz TYMHWPPIKLIJNL-UHFFFAOYSA-N 2 1 358.450 0.756 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000682089887 493268698 /nfs/dbraw/zinc/26/86/98/493268698.db2.gz TZLHSTKOEJLQNL-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000659732253 493277264 /nfs/dbraw/zinc/27/72/64/493277264.db2.gz UMWRDULORCUKPT-GBESFXJTSA-N 2 1 370.497 0.978 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)c2C1 ZINC000667399102 493282050 /nfs/dbraw/zinc/28/20/50/493282050.db2.gz BJYOGHQVFATCOM-SUMWQHHRSA-N 2 1 360.458 0.925 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)c2C1 ZINC000667399102 493282053 /nfs/dbraw/zinc/28/20/53/493282053.db2.gz BJYOGHQVFATCOM-SUMWQHHRSA-N 2 1 360.458 0.925 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812647 493303394 /nfs/dbraw/zinc/30/33/94/493303394.db2.gz SIYYEHATPXBHSD-GJZGRUSLSA-N 2 1 362.540 0.189 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000673381436 493324223 /nfs/dbraw/zinc/32/42/23/493324223.db2.gz HRCZIIIHVNQBMG-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673381436 493324225 /nfs/dbraw/zinc/32/42/25/493324225.db2.gz HRCZIIIHVNQBMG-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000660163330 493331083 /nfs/dbraw/zinc/33/10/83/493331083.db2.gz ODNRHSZCLPBNPJ-CVEARBPZSA-N 2 1 359.474 0.671 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000660163330 493331085 /nfs/dbraw/zinc/33/10/85/493331085.db2.gz ODNRHSZCLPBNPJ-CVEARBPZSA-N 2 1 359.474 0.671 20 0 FCADMP C[NH+]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000673941415 493375882 /nfs/dbraw/zinc/37/58/82/493375882.db2.gz ARTIWPHNIKBZNV-UHFFFAOYSA-N 2 1 360.502 0.507 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982735 493379373 /nfs/dbraw/zinc/37/93/73/493379373.db2.gz NKFKNXDOTXCHEP-SJLPKXTDSA-N 2 1 369.579 0.845 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCSC1 ZINC000673982297 493379612 /nfs/dbraw/zinc/37/96/12/493379612.db2.gz KEBUVAKHBCJZKH-NVXWUHKLSA-N 2 1 356.536 0.930 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979980 493379636 /nfs/dbraw/zinc/37/96/36/493379636.db2.gz KVDSSHBOEUOVEI-MAUKXSAKSA-N 2 1 369.579 0.891 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979980 493379638 /nfs/dbraw/zinc/37/96/38/493379638.db2.gz KVDSSHBOEUOVEI-MAUKXSAKSA-N 2 1 369.579 0.891 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000660791067 493380132 /nfs/dbraw/zinc/38/01/32/493380132.db2.gz HXZVUCCEBBGQQX-HZPDHXFCSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000660791067 493380134 /nfs/dbraw/zinc/38/01/34/493380134.db2.gz HXZVUCCEBBGQQX-HZPDHXFCSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000660932434 493394067 /nfs/dbraw/zinc/39/40/67/493394067.db2.gz WXQODCIDQGWORY-QAPCUYQASA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660932434 493394068 /nfs/dbraw/zinc/39/40/68/493394068.db2.gz WXQODCIDQGWORY-QAPCUYQASA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)C1 ZINC000684201596 493401123 /nfs/dbraw/zinc/40/11/23/493401123.db2.gz XFFKRFXJUCRFAX-ZWKOTPCHSA-N 2 1 362.522 0.652 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795806 493412231 /nfs/dbraw/zinc/41/22/31/493412231.db2.gz HKHYOUDNJXNNHT-YJBOKZPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000668795806 493412234 /nfs/dbraw/zinc/41/22/34/493412234.db2.gz HKHYOUDNJXNNHT-YJBOKZPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000668795806 493412235 /nfs/dbraw/zinc/41/22/35/493412235.db2.gz HKHYOUDNJXNNHT-YJBOKZPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000668795806 493412239 /nfs/dbraw/zinc/41/22/39/493412239.db2.gz HKHYOUDNJXNNHT-YJBOKZPZSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000668893142 493430327 /nfs/dbraw/zinc/43/03/27/493430327.db2.gz MXUWFYXJAVRRCG-WMLDXEAASA-N 2 1 350.507 0.824 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000669035193 493455926 /nfs/dbraw/zinc/45/59/26/493455926.db2.gz ALSRUUWFHIULEJ-BHYGNILZSA-N 2 1 356.511 0.881 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000661662975 493456304 /nfs/dbraw/zinc/45/63/04/493456304.db2.gz JFXBBXAHCYZTOT-QFBILLFUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000661662973 493456475 /nfs/dbraw/zinc/45/64/75/493456475.db2.gz JFXBBXAHCYZTOT-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806864 493466211 /nfs/dbraw/zinc/46/62/11/493466211.db2.gz IGFNXIWUAXRBIO-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806864 493466213 /nfs/dbraw/zinc/46/62/13/493466213.db2.gz IGFNXIWUAXRBIO-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806864 493466214 /nfs/dbraw/zinc/46/62/14/493466214.db2.gz IGFNXIWUAXRBIO-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806864 493466216 /nfs/dbraw/zinc/46/62/16/493466216.db2.gz IGFNXIWUAXRBIO-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675189987 493472624 /nfs/dbraw/zinc/47/26/24/493472624.db2.gz FXUKRCWFJJWTAT-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685304938 493473923 /nfs/dbraw/zinc/47/39/23/493473923.db2.gz RXNNOCHTDFQFKO-HFTRVMKXSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342513 493481909 /nfs/dbraw/zinc/48/19/09/493481909.db2.gz JAWKLIVSNGFZPC-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342513 493481912 /nfs/dbraw/zinc/48/19/12/493481912.db2.gz JAWKLIVSNGFZPC-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685343243 493482433 /nfs/dbraw/zinc/48/24/33/493482433.db2.gz LJFRFILUNPAXKJ-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343243 493482435 /nfs/dbraw/zinc/48/24/35/493482435.db2.gz LJFRFILUNPAXKJ-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262962 493501978 /nfs/dbraw/zinc/50/19/78/493501978.db2.gz JGIMVFKRMBCSIO-CABCVRRESA-N 2 1 365.478 0.806 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000675821647 493504387 /nfs/dbraw/zinc/50/43/87/493504387.db2.gz KLEKQLFNHBUCOZ-GDBMZVCRSA-N 2 1 357.462 0.900 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000662313516 493505178 /nfs/dbraw/zinc/50/51/78/493505178.db2.gz TXGZAVLTPZFRGX-OWCLPIDISA-N 2 1 359.536 0.861 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000662313516 493505181 /nfs/dbraw/zinc/50/51/81/493505181.db2.gz TXGZAVLTPZFRGX-OWCLPIDISA-N 2 1 359.536 0.861 20 0 FCADMP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000669486517 493506588 /nfs/dbraw/zinc/50/65/88/493506588.db2.gz TYASLZMHXLQTML-ZWKOTPCHSA-N 2 1 367.538 0.600 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486428 493506740 /nfs/dbraw/zinc/50/67/40/493506740.db2.gz FATWCZZYJAXVGG-ULQDDVLXSA-N 2 1 353.511 0.210 20 0 FCADMP Cc1c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662365169 493509907 /nfs/dbraw/zinc/50/99/07/493509907.db2.gz PTSFXNUQTMCFDL-GUTXKFCHSA-N 2 1 364.494 0.739 20 0 FCADMP Cc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662365169 493509908 /nfs/dbraw/zinc/50/99/08/493509908.db2.gz PTSFXNUQTMCFDL-GUTXKFCHSA-N 2 1 364.494 0.739 20 0 FCADMP Cc1c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662365174 493509978 /nfs/dbraw/zinc/50/99/78/493509978.db2.gz PTSFXNUQTMCFDL-VNHYZAJKSA-N 2 1 364.494 0.739 20 0 FCADMP Cc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662365174 493509979 /nfs/dbraw/zinc/50/99/79/493509979.db2.gz PTSFXNUQTMCFDL-VNHYZAJKSA-N 2 1 364.494 0.739 20 0 FCADMP c1cnc(N2CCC([NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)CC2)cn1 ZINC000675885674 493510221 /nfs/dbraw/zinc/51/02/21/493510221.db2.gz GPULJDCQCNGKIH-SFHVURJKSA-N 2 1 360.506 0.442 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000676001470 493517995 /nfs/dbraw/zinc/51/79/95/493517995.db2.gz KIBVWBZSQAWTOH-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP [NH3+][C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662517147 493522924 /nfs/dbraw/zinc/52/29/24/493522924.db2.gz RTIANJFVYKZPDM-SWLSCSKDSA-N 2 1 367.291 0.955 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC1 ZINC000662521945 493523729 /nfs/dbraw/zinc/52/37/29/493523729.db2.gz ORQCPVIIBVMYBP-CQSZACIVSA-N 2 1 350.467 0.304 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668655 493530800 /nfs/dbraw/zinc/53/08/00/493530800.db2.gz OOZVKUFXIATVOC-HZPDHXFCSA-N 2 1 364.494 0.679 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662683227 493531418 /nfs/dbraw/zinc/53/14/18/493531418.db2.gz XMZRGFHJYMGMRN-OAHLLOKOSA-N 2 1 364.412 0.635 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662704334 493533445 /nfs/dbraw/zinc/53/34/45/493533445.db2.gz BKWRZKUBIZVXGZ-NUEKZKHPSA-N 2 1 359.474 0.860 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676250067 493535230 /nfs/dbraw/zinc/53/52/30/493535230.db2.gz VRYKCYYXTIBLDD-DZOHQFGASA-N 2 1 368.522 0.773 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250067 493535231 /nfs/dbraw/zinc/53/52/31/493535231.db2.gz VRYKCYYXTIBLDD-DZOHQFGASA-N 2 1 368.522 0.773 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662724764 493535441 /nfs/dbraw/zinc/53/54/41/493535441.db2.gz SXDJOCHPAQXWRO-QLFBSQMISA-N 2 1 350.467 0.120 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662724764 493535443 /nfs/dbraw/zinc/53/54/43/493535443.db2.gz SXDJOCHPAQXWRO-QLFBSQMISA-N 2 1 350.467 0.120 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000662752735 493537960 /nfs/dbraw/zinc/53/79/60/493537960.db2.gz JPABIAUXRYPBNW-MRXNPFEDSA-N 2 1 371.441 0.548 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000662752735 493537963 /nfs/dbraw/zinc/53/79/63/493537963.db2.gz JPABIAUXRYPBNW-MRXNPFEDSA-N 2 1 371.441 0.548 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662753131 493538788 /nfs/dbraw/zinc/53/87/88/493538788.db2.gz NTLFQYBHHFVMCR-QZTJIDSGSA-N 2 1 374.485 0.696 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662756490 493539445 /nfs/dbraw/zinc/53/94/45/493539445.db2.gz IFACFXTZMVWGHH-SJORKVTESA-N 2 1 350.438 0.428 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662755459 493539518 /nfs/dbraw/zinc/53/95/18/493539518.db2.gz AUHVDFIUZSYKED-ROUUACIJSA-N 2 1 362.474 0.615 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662930533 493555363 /nfs/dbraw/zinc/55/53/63/493555363.db2.gz QZOUEXXNHVGZPJ-IYBDPMFKSA-N 2 1 367.538 0.199 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000662949082 493559431 /nfs/dbraw/zinc/55/94/31/493559431.db2.gz RGARRJRJASQGNG-LJQANCHMSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000662950534 493560181 /nfs/dbraw/zinc/56/01/81/493560181.db2.gz MSFAXHMJMAPZPT-LMMKCTJWSA-N 2 1 372.513 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000662953903 493560489 /nfs/dbraw/zinc/56/04/89/493560489.db2.gz RAIUXNGWEPHVMZ-ZHALLVOQSA-N 2 1 372.513 0.971 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670628478 493581096 /nfs/dbraw/zinc/58/10/96/493581096.db2.gz FQZAGLXMBIVSNZ-MOPGFXCFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670628479 493581150 /nfs/dbraw/zinc/58/11/50/493581150.db2.gz FQZAGLXMBIVSNZ-OALUTQOASA-N 2 1 370.497 0.978 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000670671909 493586952 /nfs/dbraw/zinc/58/69/52/493586952.db2.gz CLUQUCBQOJHAFB-RDJZCZTQSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670804305 493598132 /nfs/dbraw/zinc/59/81/32/493598132.db2.gz PJOZYOUSTJZIRF-KRWDZBQOSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000670804306 493598158 /nfs/dbraw/zinc/59/81/58/493598158.db2.gz PJOZYOUSTJZIRF-QGZVFWFLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@]1(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000663616327 493604335 /nfs/dbraw/zinc/60/43/35/493604335.db2.gz VVSOPJFUXMFWIV-IBGZPJMESA-N 2 1 360.458 0.368 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000677787331 493615804 /nfs/dbraw/zinc/61/58/04/493615804.db2.gz CXKMLBGEOVZEMB-OALUTQOASA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000677787331 493615806 /nfs/dbraw/zinc/61/58/06/493615806.db2.gz CXKMLBGEOVZEMB-OALUTQOASA-N 2 1 360.502 0.233 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000670983746 493620150 /nfs/dbraw/zinc/62/01/50/493620150.db2.gz JJZIWPNCCCHHNQ-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677941437 493626054 /nfs/dbraw/zinc/62/60/54/493626054.db2.gz FWHPNWIIMYNAIO-OTWHNJEPSA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677941437 493626057 /nfs/dbraw/zinc/62/60/57/493626057.db2.gz FWHPNWIIMYNAIO-OTWHNJEPSA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677941437 493626060 /nfs/dbraw/zinc/62/60/60/493626060.db2.gz FWHPNWIIMYNAIO-OTWHNJEPSA-N 2 1 358.486 0.128 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000671099211 493632984 /nfs/dbraw/zinc/63/29/84/493632984.db2.gz AEZRFJHVGBNEIA-KSZLIROESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000671099211 493632985 /nfs/dbraw/zinc/63/29/85/493632985.db2.gz AEZRFJHVGBNEIA-KSZLIROESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000671099211 493632987 /nfs/dbraw/zinc/63/29/87/493632987.db2.gz AEZRFJHVGBNEIA-KSZLIROESA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000671109291 493636698 /nfs/dbraw/zinc/63/66/98/493636698.db2.gz UEORFYVNRVZRLI-DLBZAZTESA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000671109291 493636699 /nfs/dbraw/zinc/63/66/99/493636699.db2.gz UEORFYVNRVZRLI-DLBZAZTESA-N 2 1 371.485 0.782 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000671134436 493642091 /nfs/dbraw/zinc/64/20/91/493642091.db2.gz KSNXOEIPPZDFFF-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000671134436 493642094 /nfs/dbraw/zinc/64/20/94/493642094.db2.gz KSNXOEIPPZDFFF-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000671134436 493642095 /nfs/dbraw/zinc/64/20/95/493642095.db2.gz KSNXOEIPPZDFFF-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000664181567 493642645 /nfs/dbraw/zinc/64/26/45/493642645.db2.gz KNTIRTRQWRIYRN-ZIAGYGMSSA-N 2 1 353.467 0.500 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671407594 493667676 /nfs/dbraw/zinc/66/76/76/493667676.db2.gz NFCRVEBFCPULJW-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671407594 493667679 /nfs/dbraw/zinc/66/76/79/493667679.db2.gz NFCRVEBFCPULJW-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671407594 493667682 /nfs/dbraw/zinc/66/76/82/493667682.db2.gz NFCRVEBFCPULJW-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671407594 493667684 /nfs/dbraw/zinc/66/76/84/493667684.db2.gz NFCRVEBFCPULJW-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679507970 493684355 /nfs/dbraw/zinc/68/43/55/493684355.db2.gz LJMHEXVMRHBMOK-CQSZACIVSA-N 2 1 354.414 0.806 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000679507970 493684356 /nfs/dbraw/zinc/68/43/56/493684356.db2.gz LJMHEXVMRHBMOK-CQSZACIVSA-N 2 1 354.414 0.806 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000671849293 493708475 /nfs/dbraw/zinc/70/84/75/493708475.db2.gz UBPNSHRHXRJNEH-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872627 493709759 /nfs/dbraw/zinc/70/97/59/493709759.db2.gz AHZQOHKUOGJKEM-DOTOQJQBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000671960862 493718235 /nfs/dbraw/zinc/71/82/35/493718235.db2.gz KRJJTACDCZTMLP-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000672008784 493724174 /nfs/dbraw/zinc/72/41/74/493724174.db2.gz WAZGZWVATHFAAW-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672013815 493724887 /nfs/dbraw/zinc/72/48/87/493724887.db2.gz NWOVTCIKXPYDBP-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672013815 493724888 /nfs/dbraw/zinc/72/48/88/493724888.db2.gz NWOVTCIKXPYDBP-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012936 493725074 /nfs/dbraw/zinc/72/50/74/493725074.db2.gz DRXHXGXXXWBVBC-HUUCEWRRSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012936 493725077 /nfs/dbraw/zinc/72/50/77/493725077.db2.gz DRXHXGXXXWBVBC-HUUCEWRRSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672099034 493735547 /nfs/dbraw/zinc/73/55/47/493735547.db2.gz PEXRMCDOLSFUJH-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672099034 493735549 /nfs/dbraw/zinc/73/55/49/493735549.db2.gz PEXRMCDOLSFUJH-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672099034 493735551 /nfs/dbraw/zinc/73/55/51/493735551.db2.gz PEXRMCDOLSFUJH-IRXDYDNUSA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672305136 493751884 /nfs/dbraw/zinc/75/18/84/493751884.db2.gz CTXAJDWIJIGPOM-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672305136 493751887 /nfs/dbraw/zinc/75/18/87/493751887.db2.gz CTXAJDWIJIGPOM-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305136 493751889 /nfs/dbraw/zinc/75/18/89/493751889.db2.gz CTXAJDWIJIGPOM-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)nn1 ZINC000666269908 493765627 /nfs/dbraw/zinc/76/56/27/493765627.db2.gz AYRKYQOCZHKORV-INIZCTEOSA-N 2 1 351.499 0.856 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H](C)[N@H+]1C ZINC000410431802 534281835 /nfs/dbraw/zinc/28/18/35/534281835.db2.gz IMVQQYWSUPGEFK-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H](C)[N@@H+]1C ZINC000410431802 534281838 /nfs/dbraw/zinc/28/18/38/534281838.db2.gz IMVQQYWSUPGEFK-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000410779955 527803324 /nfs/dbraw/zinc/80/33/24/527803324.db2.gz NSHWABPZYDJZDD-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000410779955 527803328 /nfs/dbraw/zinc/80/33/28/527803328.db2.gz NSHWABPZYDJZDD-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410779955 527803334 /nfs/dbraw/zinc/80/33/34/527803334.db2.gz NSHWABPZYDJZDD-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000410845118 527805031 /nfs/dbraw/zinc/80/50/31/527805031.db2.gz QELCWRPUKCFGHL-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000410845118 527805037 /nfs/dbraw/zinc/80/50/37/527805037.db2.gz QELCWRPUKCFGHL-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000410845118 527805041 /nfs/dbraw/zinc/80/50/41/527805041.db2.gz QELCWRPUKCFGHL-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733430 527817163 /nfs/dbraw/zinc/81/71/63/527817163.db2.gz VAXJSIGIIJAGMA-ULQDDVLXSA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733430 527817165 /nfs/dbraw/zinc/81/71/65/527817165.db2.gz VAXJSIGIIJAGMA-ULQDDVLXSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733430 527817166 /nfs/dbraw/zinc/81/71/66/527817166.db2.gz VAXJSIGIIJAGMA-ULQDDVLXSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000410733430 527817167 /nfs/dbraw/zinc/81/71/67/527817167.db2.gz VAXJSIGIIJAGMA-ULQDDVLXSA-N 2 1 352.523 0.974 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000410812502 527843098 /nfs/dbraw/zinc/84/30/98/527843098.db2.gz XWGGWVPUNUONJC-IAGOWNOFSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000410812502 527843107 /nfs/dbraw/zinc/84/31/07/527843107.db2.gz XWGGWVPUNUONJC-IAGOWNOFSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000410812502 527843111 /nfs/dbraw/zinc/84/31/11/527843111.db2.gz XWGGWVPUNUONJC-IAGOWNOFSA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000410781338 528247947 /nfs/dbraw/zinc/24/79/47/528247947.db2.gz BUOOADPRRIZGNB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262088500 528356353 /nfs/dbraw/zinc/35/63/53/528356353.db2.gz RKYQVFYNCSUHDQ-BDXSIMOUSA-N 2 1 352.523 0.626 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000410727356 528716554 /nfs/dbraw/zinc/71/65/54/528716554.db2.gz ASTNTWPUVSJXNT-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@H+]1C ZINC000410727356 528716557 /nfs/dbraw/zinc/71/65/57/528716557.db2.gz ASTNTWPUVSJXNT-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000410727356 528716560 /nfs/dbraw/zinc/71/65/60/528716560.db2.gz ASTNTWPUVSJXNT-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC[NH+]1C ZINC000410727356 528716566 /nfs/dbraw/zinc/71/65/66/528716566.db2.gz ASTNTWPUVSJXNT-ZACQAIPSSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)C(C)C ZINC000410516308 528887578 /nfs/dbraw/zinc/88/75/78/528887578.db2.gz DIUVJUJOHJOHQS-IAGOWNOFSA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)C(C)C ZINC000410516308 528887582 /nfs/dbraw/zinc/88/75/82/528887582.db2.gz DIUVJUJOHJOHQS-IAGOWNOFSA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000412471061 529053570 /nfs/dbraw/zinc/05/35/70/529053570.db2.gz ZKNHJGSBVYCOIR-KRWDZBQOSA-N 2 1 368.522 0.008 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000411027615 529074994 /nfs/dbraw/zinc/07/49/94/529074994.db2.gz OVASTLAAWKZIOJ-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419688443 535071181 /nfs/dbraw/zinc/07/11/81/535071181.db2.gz AQAJMHNFOVLMLV-YESZJQIVSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419155867 535081986 /nfs/dbraw/zinc/08/19/86/535081986.db2.gz SENOFENFQKKYNH-BRSBDYLESA-N 2 1 364.534 0.975 20 0 FCADMP CC(CC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453010360 535174344 /nfs/dbraw/zinc/17/43/44/535174344.db2.gz PLPXMGFRENAOGC-WNRNVDISSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385220 535201406 /nfs/dbraw/zinc/20/14/06/535201406.db2.gz AEVFCAQTLUCSCG-HNNXBMFYSA-N 2 1 364.515 0.574 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385220 535201409 /nfs/dbraw/zinc/20/14/09/535201409.db2.gz AEVFCAQTLUCSCG-HNNXBMFYSA-N 2 1 364.515 0.574 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419282715 535218033 /nfs/dbraw/zinc/21/80/33/535218033.db2.gz IOSHZBXLEJKFIM-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419284162 535218872 /nfs/dbraw/zinc/21/88/72/535218872.db2.gz KJVIMXBMVILQNO-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423529933 535425524 /nfs/dbraw/zinc/42/55/24/535425524.db2.gz QPYHIWNASJYWCQ-APWZRJJASA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423529933 535425529 /nfs/dbraw/zinc/42/55/29/535425529.db2.gz QPYHIWNASJYWCQ-APWZRJJASA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[N@@H+]1CCOC ZINC000423650002 535426278 /nfs/dbraw/zinc/42/62/78/535426278.db2.gz KFUMAAPKSJPUAA-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[N@H+]1CCOC ZINC000423650002 535426281 /nfs/dbraw/zinc/42/62/81/535426281.db2.gz KFUMAAPKSJPUAA-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419920067 535426420 /nfs/dbraw/zinc/42/64/20/535426420.db2.gz FWGTYKXIYAXNNZ-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419920067 535426425 /nfs/dbraw/zinc/42/64/25/535426425.db2.gz FWGTYKXIYAXNNZ-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419267201 535510015 /nfs/dbraw/zinc/51/00/15/535510015.db2.gz IMRZALHGHBIGRB-OAHLLOKOSA-N 2 1 362.474 0.249 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706649 535555023 /nfs/dbraw/zinc/55/50/23/535555023.db2.gz OAGCWESUNYXMEX-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846087 535596989 /nfs/dbraw/zinc/59/69/89/535596989.db2.gz RALJRHKPVJASSG-ROUUACIJSA-N 2 1 373.501 0.763 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896494 535597385 /nfs/dbraw/zinc/59/73/85/535597385.db2.gz XSKWGIPFJRAQOW-IRXDYDNUSA-N 2 1 359.474 0.373 20 0 FCADMP CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760193 535597503 /nfs/dbraw/zinc/59/75/03/535597503.db2.gz GONKCNDPZAWQNR-YJBOKZPZSA-N 2 1 355.479 0.475 20 0 FCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423925703 535654019 /nfs/dbraw/zinc/65/40/19/535654019.db2.gz NVZXAZJWLSSJIW-UKTARXLSSA-N 2 1 352.458 0.949 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446378910 535695813 /nfs/dbraw/zinc/69/58/13/535695813.db2.gz XQJHNQBSTFCHOK-FRQCXROJSA-N 2 1 352.523 0.663 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)CC(C)C ZINC000419929235 535713662 /nfs/dbraw/zinc/71/36/62/535713662.db2.gz VJHLOUDWIPKSLH-UHFFFAOYSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425387854 535857400 /nfs/dbraw/zinc/85/74/00/535857400.db2.gz OARHNXOOBBLTRF-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442605594 535858419 /nfs/dbraw/zinc/85/84/19/535858419.db2.gz DHPMYHIJHHDASE-QGZVFWFLSA-N 2 1 369.554 0.765 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419418768 536100675 /nfs/dbraw/zinc/10/06/75/536100675.db2.gz YLCMCOQTYYZSMY-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423311168 536367111 /nfs/dbraw/zinc/36/71/11/536367111.db2.gz SUAQFOXUKHQLPI-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000419221460 536368850 /nfs/dbraw/zinc/36/88/50/536368850.db2.gz AQJSBOHGSHRUNE-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419445174 536369325 /nfs/dbraw/zinc/36/93/25/536369325.db2.gz DNMXGNRMHRXNBJ-DLBZAZTESA-N 2 1 373.501 0.134 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000423653665 536398714 /nfs/dbraw/zinc/39/87/14/536398714.db2.gz ZMMYRVAEEPODCJ-SFHVURJKSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000423653665 536398717 /nfs/dbraw/zinc/39/87/17/536398717.db2.gz ZMMYRVAEEPODCJ-SFHVURJKSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423401758 536415901 /nfs/dbraw/zinc/41/59/01/536415901.db2.gz XHYJYYLLVIWWGR-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP NS(=O)(=O)c1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000125283811 546540839 /nfs/dbraw/zinc/54/08/39/546540839.db2.gz XSJRBYQBSUBDNG-UHFFFAOYSA-N 2 1 362.455 0.930 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593731315 546746061 /nfs/dbraw/zinc/74/60/61/546746061.db2.gz WIDJUSAIFRJKFS-BYNSBNAKSA-N 2 1 356.467 0.208 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736188 546747565 /nfs/dbraw/zinc/74/75/65/546747565.db2.gz JHSIHOBPGKMTAI-BYNSBNAKSA-N 2 1 356.467 0.065 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+](C)C1 ZINC000594283155 546778358 /nfs/dbraw/zinc/77/83/58/546778358.db2.gz CSKPOZJXSUKJJE-PMPSAXMXSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+](C)C1 ZINC000594283155 546778364 /nfs/dbraw/zinc/77/83/64/546778364.db2.gz CSKPOZJXSUKJJE-PMPSAXMXSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+](C)C1 ZINC000594283155 546778368 /nfs/dbraw/zinc/77/83/68/546778368.db2.gz CSKPOZJXSUKJJE-PMPSAXMXSA-N 2 1 352.479 0.750 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@@H+]1CCOC ZINC000433405209 546921743 /nfs/dbraw/zinc/92/17/43/546921743.db2.gz DFWFLSFVTJBBJL-CABCVRRESA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@H+]1CCOC ZINC000433405209 546921747 /nfs/dbraw/zinc/92/17/47/546921747.db2.gz DFWFLSFVTJBBJL-CABCVRRESA-N 2 1 350.467 0.385 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000539285075 547025605 /nfs/dbraw/zinc/02/56/05/547025605.db2.gz IXFYHLSYBUQRCK-OFQRWUPVSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000539285075 547025609 /nfs/dbraw/zinc/02/56/09/547025609.db2.gz IXFYHLSYBUQRCK-OFQRWUPVSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000539285075 547025613 /nfs/dbraw/zinc/02/56/13/547025613.db2.gz IXFYHLSYBUQRCK-OFQRWUPVSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000539285075 547025617 /nfs/dbraw/zinc/02/56/17/547025617.db2.gz IXFYHLSYBUQRCK-OFQRWUPVSA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000539285072 547025797 /nfs/dbraw/zinc/02/57/97/547025797.db2.gz IXFYHLSYBUQRCK-IIAWOOMASA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000539285072 547025799 /nfs/dbraw/zinc/02/57/99/547025799.db2.gz IXFYHLSYBUQRCK-IIAWOOMASA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000539285072 547025803 /nfs/dbraw/zinc/02/58/03/547025803.db2.gz IXFYHLSYBUQRCK-IIAWOOMASA-N 2 1 352.479 0.748 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000539285072 547025808 /nfs/dbraw/zinc/02/58/08/547025808.db2.gz IXFYHLSYBUQRCK-IIAWOOMASA-N 2 1 352.479 0.748 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000550623093 547091994 /nfs/dbraw/zinc/09/19/94/547091994.db2.gz RTZJRSLHMSLYBJ-WMLDXEAASA-N 2 1 353.488 0.758 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000550838524 547110632 /nfs/dbraw/zinc/11/06/32/547110632.db2.gz HKRMVLWPCAJQJL-QGZVFWFLSA-N 2 1 356.536 0.340 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550903010 547113959 /nfs/dbraw/zinc/11/39/59/547113959.db2.gz PSSRRPKAKGQJEL-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551492070 547149673 /nfs/dbraw/zinc/14/96/73/547149673.db2.gz LCIMNCXJPAYBHJ-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000551492070 547149707 /nfs/dbraw/zinc/14/97/07/547149707.db2.gz LCIMNCXJPAYBHJ-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000551492070 547149710 /nfs/dbraw/zinc/14/97/10/547149710.db2.gz LCIMNCXJPAYBHJ-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000552939854 547241919 /nfs/dbraw/zinc/24/19/19/547241919.db2.gz ZGSLBAFDZVVHCD-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000552939854 547241923 /nfs/dbraw/zinc/24/19/23/547241923.db2.gz ZGSLBAFDZVVHCD-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000552939854 547241924 /nfs/dbraw/zinc/24/19/24/547241924.db2.gz ZGSLBAFDZVVHCD-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000552939854 547241928 /nfs/dbraw/zinc/24/19/28/547241928.db2.gz ZGSLBAFDZVVHCD-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553701538 547301071 /nfs/dbraw/zinc/30/10/71/547301071.db2.gz SGMZEECKSKYXOS-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553701538 547301076 /nfs/dbraw/zinc/30/10/76/547301076.db2.gz SGMZEECKSKYXOS-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553701193 547301151 /nfs/dbraw/zinc/30/11/51/547301151.db2.gz SGMZEECKSKYXOS-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553701193 547301153 /nfs/dbraw/zinc/30/11/53/547301153.db2.gz SGMZEECKSKYXOS-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000475723658 547334488 /nfs/dbraw/zinc/33/44/88/547334488.db2.gz PWSHROFIEFHUGT-CADBVGFASA-N 2 1 357.539 0.889 20 0 FCADMP O=C1[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292388 598961871 /nfs/dbraw/zinc/96/18/71/598961871.db2.gz ZZRNRHRNSBSIPJ-ZFWWWQNUSA-N 2 1 364.413 0.773 20 0 FCADMP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736802290 598350157 /nfs/dbraw/zinc/35/01/57/598350157.db2.gz PNVSTDPULWTKSN-UHFFFAOYSA-N 2 1 373.461 0.584 20 0 FCADMP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736802290 598350161 /nfs/dbraw/zinc/35/01/61/598350161.db2.gz PNVSTDPULWTKSN-UHFFFAOYSA-N 2 1 373.461 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000951254776 674453599 /nfs/dbraw/zinc/45/35/99/674453599.db2.gz FPPISINPWAWLJC-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000955345724 674511477 /nfs/dbraw/zinc/51/14/77/674511477.db2.gz DNMOZOYKDOPNQS-GDBMZVCRSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000955345724 674511479 /nfs/dbraw/zinc/51/14/79/674511479.db2.gz DNMOZOYKDOPNQS-GDBMZVCRSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000955345724 674511481 /nfs/dbraw/zinc/51/14/81/674511481.db2.gz DNMOZOYKDOPNQS-GDBMZVCRSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729496827 665719438 /nfs/dbraw/zinc/71/94/38/665719438.db2.gz KJNVXORUGKLPFI-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729496827 665719441 /nfs/dbraw/zinc/71/94/41/665719441.db2.gz KJNVXORUGKLPFI-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729496827 665719443 /nfs/dbraw/zinc/71/94/43/665719443.db2.gz KJNVXORUGKLPFI-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000897576503 665737654 /nfs/dbraw/zinc/73/76/54/665737654.db2.gz KJUUFFJRVDMSID-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000897576503 665737656 /nfs/dbraw/zinc/73/76/56/665737656.db2.gz KJUUFFJRVDMSID-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000897576503 665737660 /nfs/dbraw/zinc/73/76/60/665737660.db2.gz KJUUFFJRVDMSID-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC000990763646 665930576 /nfs/dbraw/zinc/93/05/76/665930576.db2.gz OPGFUVIWJFDHGN-MKSNKDDYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763646 665930577 /nfs/dbraw/zinc/93/05/77/665930577.db2.gz OPGFUVIWJFDHGN-MKSNKDDYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763646 665930579 /nfs/dbraw/zinc/93/05/79/665930579.db2.gz OPGFUVIWJFDHGN-MKSNKDDYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC000891236736 663335478 /nfs/dbraw/zinc/33/54/78/663335478.db2.gz CDYQSDSPYKKIAJ-XHSDSOJGSA-N 2 1 354.495 0.853 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261603369 663346529 /nfs/dbraw/zinc/34/65/29/663346529.db2.gz CCENRXFRJCNFAK-INIZCTEOSA-N 2 1 352.504 0.416 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261603369 663346532 /nfs/dbraw/zinc/34/65/32/663346532.db2.gz CCENRXFRJCNFAK-INIZCTEOSA-N 2 1 352.504 0.416 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)CC[N@H+]1C ZINC001022103907 663404680 /nfs/dbraw/zinc/40/46/80/663404680.db2.gz OQQJUGQSVDDXJT-OVYGPGRDSA-N 2 1 350.507 0.964 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891481818 663409002 /nfs/dbraw/zinc/40/90/02/663409002.db2.gz HKKQWOUBTBVXAE-OAHLLOKOSA-N 2 1 353.511 0.890 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891538352 663413058 /nfs/dbraw/zinc/41/30/58/663413058.db2.gz VIZPBQQTYYUYKP-GFCCVEGCSA-N 2 1 353.492 0.780 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559637 663415443 /nfs/dbraw/zinc/41/54/43/663415443.db2.gz GSYOXMXGXLXXMB-KBPBESRZSA-N 2 1 359.465 0.699 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559637 663415444 /nfs/dbraw/zinc/41/54/44/663415444.db2.gz GSYOXMXGXLXXMB-KBPBESRZSA-N 2 1 359.465 0.699 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC000891582868 663416609 /nfs/dbraw/zinc/41/66/09/663416609.db2.gz IJTNXGUEJSEHJD-FRRDWIJNSA-N 2 1 352.401 0.733 20 0 FCADMP CN1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@@H+](C)CC1 ZINC000888979338 663423839 /nfs/dbraw/zinc/42/38/39/663423839.db2.gz PIWRJKSFEXOUFU-UHFFFAOYSA-N 2 1 352.523 0.583 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022274755 663428382 /nfs/dbraw/zinc/42/83/82/663428382.db2.gz CFWULBITMBBFRS-RUZUBIRVSA-N 2 1 354.476 0.608 20 0 FCADMP COc1nscc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022274755 663428383 /nfs/dbraw/zinc/42/83/83/663428383.db2.gz CFWULBITMBBFRS-RUZUBIRVSA-N 2 1 354.476 0.608 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847657 663444619 /nfs/dbraw/zinc/44/46/19/663444619.db2.gz RVYPCMJEUHHEBI-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847657 663444622 /nfs/dbraw/zinc/44/46/22/663444622.db2.gz RVYPCMJEUHHEBI-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC000933847657 663444624 /nfs/dbraw/zinc/44/46/24/663444624.db2.gz RVYPCMJEUHHEBI-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000891878266 663445680 /nfs/dbraw/zinc/44/56/80/663445680.db2.gz FUQJKENPYRMUMB-INIZCTEOSA-N 2 1 353.511 0.524 20 0 FCADMP C(C[NH+]1CCC[C@H]1C1OCCO1)OCC[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933902005 663447630 /nfs/dbraw/zinc/44/76/30/663447630.db2.gz YMEQBDNJCBKRDK-HOTGVXAUSA-N 2 1 356.463 0.678 20 0 FCADMP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891973721 663460010 /nfs/dbraw/zinc/46/00/10/663460010.db2.gz XIWYTDBDHCTDGO-IAGOWNOFSA-N 2 1 353.511 0.224 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891980452 663461022 /nfs/dbraw/zinc/46/10/22/663461022.db2.gz VJYIOMGNQMONDI-SJORKVTESA-N 2 1 353.511 0.082 20 0 FCADMP C[N@H+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1(C)C ZINC000892108976 663477394 /nfs/dbraw/zinc/47/73/94/663477394.db2.gz XUBFQNMILBGZGL-CYBMUJFWSA-N 2 1 365.444 0.948 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892174540 663485316 /nfs/dbraw/zinc/48/53/16/663485316.db2.gz FGIHXFUTROWWBK-BRWVUGGUSA-N 2 1 353.511 0.210 20 0 FCADMP [NH3+]CCCCCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892212024 663492880 /nfs/dbraw/zinc/49/28/80/663492880.db2.gz OYSQKPOKUGEWHI-KRWDZBQOSA-N 2 1 355.527 0.601 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938197650 665971367 /nfs/dbraw/zinc/97/13/67/665971367.db2.gz JVIJLOHTPMEDBJ-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000262180122 663524525 /nfs/dbraw/zinc/52/45/25/663524525.db2.gz QYQZETQMNPFOFO-UHFFFAOYSA-N 2 1 364.877 0.920 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCN2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637416 /nfs/dbraw/zinc/63/74/16/663637416.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)NCCN2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637417 /nfs/dbraw/zinc/63/74/17/663637417.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024039521 663868233 /nfs/dbraw/zinc/86/82/33/663868233.db2.gz YBDHCAQHCDMBMU-IVMMDQJWSA-N 2 1 351.451 0.425 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024039521 663868238 /nfs/dbraw/zinc/86/82/38/663868238.db2.gz YBDHCAQHCDMBMU-IVMMDQJWSA-N 2 1 351.451 0.425 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000892648550 664059128 /nfs/dbraw/zinc/05/91/28/664059128.db2.gz FGIOPKNXHMUATN-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000892648550 664059132 /nfs/dbraw/zinc/05/91/32/664059132.db2.gz FGIOPKNXHMUATN-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000892648550 664059134 /nfs/dbraw/zinc/05/91/34/664059134.db2.gz FGIOPKNXHMUATN-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000892758055 664137540 /nfs/dbraw/zinc/13/75/40/664137540.db2.gz GWTNHTDGQWAKTE-HZPDHXFCSA-N 2 1 354.495 0.291 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777334 664141252 /nfs/dbraw/zinc/14/12/52/664141252.db2.gz SABXEWGRWNQNPG-MRXNPFEDSA-N 2 1 354.495 0.509 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@H](C)N1CCOCC1 ZINC000892837531 664149000 /nfs/dbraw/zinc/14/90/00/664149000.db2.gz CTOUOGCLXLAOCL-NXOAAHMSSA-N 2 1 354.495 0.336 20 0 FCADMP CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000936083426 664149545 /nfs/dbraw/zinc/14/95/45/664149545.db2.gz UOUCKMUMEZMPTG-RHSMWYFYSA-N 2 1 350.507 0.728 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892944933 664177200 /nfs/dbraw/zinc/17/72/00/664177200.db2.gz XCUKPMQXQFSIOQ-BRWVUGGUSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892944933 664177201 /nfs/dbraw/zinc/17/72/01/664177201.db2.gz XCUKPMQXQFSIOQ-BRWVUGGUSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892944933 664177202 /nfs/dbraw/zinc/17/72/02/664177202.db2.gz XCUKPMQXQFSIOQ-BRWVUGGUSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789513 664190548 /nfs/dbraw/zinc/19/05/48/664190548.db2.gz CTNKHICPVNKWSK-HZYJHYJVSA-N 2 1 351.491 0.161 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ncnn3C)CC2)O1 ZINC001026514618 664239907 /nfs/dbraw/zinc/23/99/07/664239907.db2.gz LUHWSVCDMKOIGP-XSCHDIRWSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ncnn3C)CC2)O1 ZINC001026514618 664239912 /nfs/dbraw/zinc/23/99/12/664239912.db2.gz LUHWSVCDMKOIGP-XSCHDIRWSA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[NH+]1C ZINC000959975227 674605260 /nfs/dbraw/zinc/60/52/60/674605260.db2.gz SFJZRPJWYQKNJZ-MNLARUNXSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[NH+]1C ZINC000959975227 674605263 /nfs/dbraw/zinc/60/52/63/674605263.db2.gz SFJZRPJWYQKNJZ-MNLARUNXSA-N 2 1 369.531 0.198 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001026853513 664271723 /nfs/dbraw/zinc/27/17/23/664271723.db2.gz JKDYUQWTRNZVIO-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001026916810 664277290 /nfs/dbraw/zinc/27/72/90/664277290.db2.gz PCMNXKHSQPCDHD-VNHYZAJKSA-N 2 1 352.435 0.340 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001026916810 664277295 /nfs/dbraw/zinc/27/72/95/664277295.db2.gz PCMNXKHSQPCDHD-VNHYZAJKSA-N 2 1 352.435 0.340 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCSC1 ZINC000893418506 664356756 /nfs/dbraw/zinc/35/67/56/664356756.db2.gz YHVYPXXVJRLNMH-INMHGKMJSA-N 2 1 356.536 0.664 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC000976609506 664392271 /nfs/dbraw/zinc/39/22/71/664392271.db2.gz NNALZEKTLLRSRF-SJRVDFGRSA-N 2 1 350.507 0.630 20 0 FCADMP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001027415707 664396164 /nfs/dbraw/zinc/39/61/64/664396164.db2.gz PXALRNHTBATFJX-KSZLIROESA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000978668815 664442129 /nfs/dbraw/zinc/44/21/29/664442129.db2.gz RBRDUVFBWKDMML-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000978668815 664442134 /nfs/dbraw/zinc/44/21/34/664442134.db2.gz RBRDUVFBWKDMML-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000978668815 664442137 /nfs/dbraw/zinc/44/21/37/664442137.db2.gz RBRDUVFBWKDMML-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1CC1CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043278 664816576 /nfs/dbraw/zinc/81/65/76/664816576.db2.gz KOWGYQIYRFGPDZ-KURKYZTESA-N 2 1 351.491 0.857 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306122 664866881 /nfs/dbraw/zinc/86/68/81/664866881.db2.gz JEPGGKIYKLNLJD-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306122 664866882 /nfs/dbraw/zinc/86/68/82/664866882.db2.gz JEPGGKIYKLNLJD-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306122 664866883 /nfs/dbraw/zinc/86/68/83/664866883.db2.gz JEPGGKIYKLNLJD-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306122 664866884 /nfs/dbraw/zinc/86/68/84/664866884.db2.gz JEPGGKIYKLNLJD-RTYCURFASA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C)CC[NH+](C)CC2)CCCO1 ZINC000894448168 664967437 /nfs/dbraw/zinc/96/74/37/664967437.db2.gz LLDAZZVERXWDFS-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)CCCO1 ZINC000894448168 664967438 /nfs/dbraw/zinc/96/74/38/664967438.db2.gz LLDAZZVERXWDFS-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)CCCO1 ZINC000894448168 664967439 /nfs/dbraw/zinc/96/74/39/664967439.db2.gz LLDAZZVERXWDFS-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000984014638 665013176 /nfs/dbraw/zinc/01/31/76/665013176.db2.gz NJJCQHMXOSDQMB-RGCMKSIDSA-N 2 1 368.503 0.855 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000984014638 665013183 /nfs/dbraw/zinc/01/31/83/665013183.db2.gz NJJCQHMXOSDQMB-RGCMKSIDSA-N 2 1 368.503 0.855 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCOCC2)O1 ZINC001029356931 665018898 /nfs/dbraw/zinc/01/88/98/665018898.db2.gz XOQXULCINFHVFN-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCOCC2)O1 ZINC001029356931 665018901 /nfs/dbraw/zinc/01/89/01/665018901.db2.gz XOQXULCINFHVFN-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCOCC2)O1 ZINC001029356931 665018905 /nfs/dbraw/zinc/01/89/05/665018905.db2.gz XOQXULCINFHVFN-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCOCC2)O1 ZINC001029356931 665018906 /nfs/dbraw/zinc/01/89/06/665018906.db2.gz XOQXULCINFHVFN-NRSFXHEJSA-N 2 1 351.491 0.807 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000985065845 665130098 /nfs/dbraw/zinc/13/00/98/665130098.db2.gz NYFFSIPXASQSFC-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000985442814 665167632 /nfs/dbraw/zinc/16/76/32/665167632.db2.gz SKXQFOBQYPLAPD-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000985442814 665167634 /nfs/dbraw/zinc/16/76/34/665167634.db2.gz SKXQFOBQYPLAPD-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000985442814 665167635 /nfs/dbraw/zinc/16/76/35/665167635.db2.gz SKXQFOBQYPLAPD-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000906620189 666059083 /nfs/dbraw/zinc/05/90/83/666059083.db2.gz XWMNZUMGQVYPHB-INIZCTEOSA-N 2 1 350.463 0.271 20 0 FCADMP COCCN1CC[C@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000906620189 666059086 /nfs/dbraw/zinc/05/90/86/666059086.db2.gz XWMNZUMGQVYPHB-INIZCTEOSA-N 2 1 350.463 0.271 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713898 666063291 /nfs/dbraw/zinc/06/32/91/666063291.db2.gz LNJFJLFNDUMJKW-QZTJIDSGSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000906713898 666063295 /nfs/dbraw/zinc/06/32/95/666063295.db2.gz LNJFJLFNDUMJKW-QZTJIDSGSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000906713898 666063298 /nfs/dbraw/zinc/06/32/98/666063298.db2.gz LNJFJLFNDUMJKW-QZTJIDSGSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906713899 666063453 /nfs/dbraw/zinc/06/34/53/666063453.db2.gz LNJFJLFNDUMJKW-ROUUACIJSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000906713899 666063454 /nfs/dbraw/zinc/06/34/54/666063454.db2.gz LNJFJLFNDUMJKW-ROUUACIJSA-N 2 1 352.523 0.631 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000906713899 666063456 /nfs/dbraw/zinc/06/34/56/666063456.db2.gz LNJFJLFNDUMJKW-ROUUACIJSA-N 2 1 352.523 0.631 20 0 FCADMP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000907400337 666128866 /nfs/dbraw/zinc/12/88/66/666128866.db2.gz MLIWNOFVGROXEP-UHFFFAOYSA-N 2 1 368.503 0.949 20 0 FCADMP CC(C)[NH2+]C1(CO)CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000908604998 666213422 /nfs/dbraw/zinc/21/34/22/666213422.db2.gz BJZAWDYMKXPPAV-UHFFFAOYSA-N 2 1 354.539 0.754 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000909032510 666223875 /nfs/dbraw/zinc/22/38/75/666223875.db2.gz JBCVJZDAUTXMSF-HDICACEKSA-N 2 1 354.539 0.706 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000911113690 666315650 /nfs/dbraw/zinc/31/56/50/666315650.db2.gz RXZWXTLGALYHSL-KGLIPLIRSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000911113690 666315653 /nfs/dbraw/zinc/31/56/53/666315653.db2.gz RXZWXTLGALYHSL-KGLIPLIRSA-N 2 1 364.515 0.808 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911358802 666339794 /nfs/dbraw/zinc/33/97/94/666339794.db2.gz SAJRQIOPGRBCNU-YVSFHVDLSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911358802 666339797 /nfs/dbraw/zinc/33/97/97/666339797.db2.gz SAJRQIOPGRBCNU-YVSFHVDLSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000911417813 666346729 /nfs/dbraw/zinc/34/67/29/666346729.db2.gz DGFBKMOGWHNQFV-KSZLIROESA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000911417813 666346731 /nfs/dbraw/zinc/34/67/31/666346731.db2.gz DGFBKMOGWHNQFV-KSZLIROESA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000911417813 666346735 /nfs/dbraw/zinc/34/67/35/666346735.db2.gz DGFBKMOGWHNQFV-KSZLIROESA-N 2 1 352.523 0.506 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000911529219 666362202 /nfs/dbraw/zinc/36/22/02/666362202.db2.gz AIQSXZJWODDLEN-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CCCC1 ZINC001031765899 666496055 /nfs/dbraw/zinc/49/60/55/666496055.db2.gz UAVAXVAQXHSCLY-FHLIZLRMSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CCCC1 ZINC001031765899 666496059 /nfs/dbraw/zinc/49/60/59/666496059.db2.gz UAVAXVAQXHSCLY-FHLIZLRMSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000913179128 666510186 /nfs/dbraw/zinc/51/01/86/666510186.db2.gz FCSWFWHRNGRTLD-NTDBWNAOSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000913179128 666510187 /nfs/dbraw/zinc/51/01/87/666510187.db2.gz FCSWFWHRNGRTLD-NTDBWNAOSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000913179128 666510190 /nfs/dbraw/zinc/51/01/90/666510190.db2.gz FCSWFWHRNGRTLD-NTDBWNAOSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939481283 666517243 /nfs/dbraw/zinc/51/72/43/666517243.db2.gz FRZXDJFTFVYISV-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940298608 666545603 /nfs/dbraw/zinc/54/56/03/666545603.db2.gz VLHCFEYVUHCSOH-ZMSDIMECSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC000940298607 666545667 /nfs/dbraw/zinc/54/56/67/666545667.db2.gz VLHCFEYVUHCSOH-BFYDXBDKSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000940770995 666561703 /nfs/dbraw/zinc/56/17/03/666561703.db2.gz AQYYTNISNJPGIY-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000940770995 666561707 /nfs/dbraw/zinc/56/17/07/666561707.db2.gz AQYYTNISNJPGIY-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000940770995 666561710 /nfs/dbraw/zinc/56/17/10/666561710.db2.gz AQYYTNISNJPGIY-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000947339275 666598076 /nfs/dbraw/zinc/59/80/76/666598076.db2.gz DFUGNMPMKQUGQL-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000947339275 666598080 /nfs/dbraw/zinc/59/80/80/666598080.db2.gz DFUGNMPMKQUGQL-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000947339275 666598081 /nfs/dbraw/zinc/59/80/81/666598081.db2.gz DFUGNMPMKQUGQL-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000941309693 666609778 /nfs/dbraw/zinc/60/97/78/666609778.db2.gz JVIJLOHTPMEDBJ-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CCO)C3)CC2)O1 ZINC000961379441 674759856 /nfs/dbraw/zinc/75/98/56/674759856.db2.gz STGGVRCNZGLJPP-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CCO)C3)CC2)O1 ZINC000961379441 674759859 /nfs/dbraw/zinc/75/98/59/674759859.db2.gz STGGVRCNZGLJPP-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@H+](CCO)C3)CC2)O1 ZINC000961379441 674759862 /nfs/dbraw/zinc/75/98/62/674759862.db2.gz STGGVRCNZGLJPP-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+](CCO)C3)CC2)O1 ZINC000961379441 674759864 /nfs/dbraw/zinc/75/98/64/674759864.db2.gz STGGVRCNZGLJPP-BPQIPLTHSA-N 2 1 353.507 0.648 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942816198 666751325 /nfs/dbraw/zinc/75/13/25/666751325.db2.gz PWKRGJROMBSCAN-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995827638 666891827 /nfs/dbraw/zinc/89/18/27/666891827.db2.gz AIVLIDVFNDHBSS-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000734274695 666958517 /nfs/dbraw/zinc/95/85/17/666958517.db2.gz LIYDVCQENMZMIR-DOTOQJQBSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+](C)CCCNC(=S)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000916001630 666986139 /nfs/dbraw/zinc/98/61/39/666986139.db2.gz XRTKYRDSORAOSH-UHFFFAOYSA-N 2 1 355.552 0.299 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000923598544 667001319 /nfs/dbraw/zinc/00/13/19/667001319.db2.gz VTUVIHWTMUAICO-HNNXBMFYSA-N 2 1 368.503 0.147 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000923598544 667001321 /nfs/dbraw/zinc/00/13/21/667001321.db2.gz VTUVIHWTMUAICO-HNNXBMFYSA-N 2 1 368.503 0.147 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000917224706 667064378 /nfs/dbraw/zinc/06/43/78/667064378.db2.gz SRMYHDLISKNARC-DOTOQJQBSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000997787402 667175971 /nfs/dbraw/zinc/17/59/71/667175971.db2.gz ZQQFUDSFYMAWPK-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998982176 667224865 /nfs/dbraw/zinc/22/48/65/667224865.db2.gz COIMCMNUGMUESU-WKIYYKSKSA-N 2 1 353.492 0.645 20 0 FCADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998982176 667224869 /nfs/dbraw/zinc/22/48/69/667224869.db2.gz COIMCMNUGMUESU-WKIYYKSKSA-N 2 1 353.492 0.645 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000999189678 667230046 /nfs/dbraw/zinc/23/00/46/667230046.db2.gz MVNSVGYJURJHHX-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC001003043486 667594089 /nfs/dbraw/zinc/59/40/89/667594089.db2.gz NEWNQRMSVKITRA-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC001003043486 667594094 /nfs/dbraw/zinc/59/40/94/667594094.db2.gz NEWNQRMSVKITRA-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001003043486 667594098 /nfs/dbraw/zinc/59/40/98/667594098.db2.gz NEWNQRMSVKITRA-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]3CC2)CC[N@H+]1C ZINC000946594936 667674951 /nfs/dbraw/zinc/67/49/51/667674951.db2.gz AFAQTSVLVGDMMC-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]3CC2)CC[NH+]1C ZINC000946594936 667674955 /nfs/dbraw/zinc/67/49/55/667674955.db2.gz AFAQTSVLVGDMMC-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]3CC2)CC[NH+]1C ZINC000946594936 667674958 /nfs/dbraw/zinc/67/49/58/667674958.db2.gz AFAQTSVLVGDMMC-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033292239 667727049 /nfs/dbraw/zinc/72/70/49/667727049.db2.gz RUCIEJJTCOIQGM-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033834368 667739216 /nfs/dbraw/zinc/73/92/16/667739216.db2.gz PTCVCKJZNZZISV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033834368 667739218 /nfs/dbraw/zinc/73/92/18/667739218.db2.gz PTCVCKJZNZZISV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001033834368 667739221 /nfs/dbraw/zinc/73/92/21/667739221.db2.gz PTCVCKJZNZZISV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001033834368 667739224 /nfs/dbraw/zinc/73/92/24/667739224.db2.gz PTCVCKJZNZZISV-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033838428 667739628 /nfs/dbraw/zinc/73/96/28/667739628.db2.gz OIMBCGNZRHZHBG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001033838428 667739631 /nfs/dbraw/zinc/73/96/31/667739631.db2.gz OIMBCGNZRHZHBG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001033838428 667739634 /nfs/dbraw/zinc/73/96/34/667739634.db2.gz OIMBCGNZRHZHBG-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001034215068 667749080 /nfs/dbraw/zinc/74/90/80/667749080.db2.gz VPFPVMWRJXTSLO-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034215068 667749084 /nfs/dbraw/zinc/74/90/84/667749084.db2.gz VPFPVMWRJXTSLO-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001034215068 667749090 /nfs/dbraw/zinc/74/90/90/667749090.db2.gz VPFPVMWRJXTSLO-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@@H](C)C(=O)NC)C3)CC2)CC[N@@H+]1C ZINC001035710178 667790061 /nfs/dbraw/zinc/79/00/61/667790061.db2.gz JVUACSLBVRUZBS-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@@H](C)C(=O)NC)C3)CC2)CC[N@H+]1C ZINC001035710178 667790067 /nfs/dbraw/zinc/79/00/67/667790067.db2.gz JVUACSLBVRUZBS-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000923012841 667798886 /nfs/dbraw/zinc/79/88/86/667798886.db2.gz AEQUVHUJHPXLSV-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000923012841 667798889 /nfs/dbraw/zinc/79/88/89/667798889.db2.gz AEQUVHUJHPXLSV-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923346255 667827111 /nfs/dbraw/zinc/82/71/11/667827111.db2.gz QOXQYDFIJSRMJT-HZPDHXFCSA-N 2 1 353.438 0.885 20 0 FCADMP Cc1nnsc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961987735 674852867 /nfs/dbraw/zinc/85/28/67/674852867.db2.gz DDYLIVFZPGCMLU-WKIYYKSKSA-N 2 1 353.492 0.550 20 0 FCADMP Cc1nnsc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961987735 674852869 /nfs/dbraw/zinc/85/28/69/674852869.db2.gz DDYLIVFZPGCMLU-WKIYYKSKSA-N 2 1 353.492 0.550 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000761676983 667893449 /nfs/dbraw/zinc/89/34/49/667893449.db2.gz GBQYCYPVOWFGHU-JKSUJKDBSA-N 2 1 354.495 0.384 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000765965187 668018312 /nfs/dbraw/zinc/01/83/12/668018312.db2.gz PXWDUCIZMBTSOK-OAHLLOKOSA-N 2 1 350.463 0.058 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000774563327 668159620 /nfs/dbraw/zinc/15/96/20/668159620.db2.gz DREKYMRZOFBAED-LSDHHAIUSA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000774563327 668159623 /nfs/dbraw/zinc/15/96/23/668159623.db2.gz DREKYMRZOFBAED-LSDHHAIUSA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000774563327 668159626 /nfs/dbraw/zinc/15/96/26/668159626.db2.gz DREKYMRZOFBAED-LSDHHAIUSA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000774563327 668159629 /nfs/dbraw/zinc/15/96/29/668159629.db2.gz DREKYMRZOFBAED-LSDHHAIUSA-N 2 1 356.536 0.914 20 0 FCADMP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000782270855 668552802 /nfs/dbraw/zinc/55/28/02/668552802.db2.gz MMTNBWNXPIQEOM-OAHLLOKOSA-N 2 1 353.463 0.542 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@H]3CCCO3)CC1)C2=O ZINC000783967933 668638101 /nfs/dbraw/zinc/63/81/01/668638101.db2.gz JFRMEIWQNLSSGM-OAHLLOKOSA-N 2 1 350.463 0.851 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCCCC1 ZINC000793701383 668942978 /nfs/dbraw/zinc/94/29/78/668942978.db2.gz PYGVQOJPNMOIEB-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000819287916 668994241 /nfs/dbraw/zinc/99/42/41/668994241.db2.gz SENZKGVEOHUYHB-HNNXBMFYSA-N 2 1 358.527 0.878 20 0 FCADMP O=C1N[C@H]2CC[NH+](CCC[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179935 669287560 /nfs/dbraw/zinc/28/75/60/669287560.db2.gz BKVZWVOMGJVJQI-KBXIAJHMSA-N 2 1 352.435 0.237 20 0 FCADMP O=C1N[C@H]2CC[NH+](CCC[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179935 669287561 /nfs/dbraw/zinc/28/75/61/669287561.db2.gz BKVZWVOMGJVJQI-KBXIAJHMSA-N 2 1 352.435 0.237 20 0 FCADMP CC[NH+](CC)CC1CC[NH+](CN2CC3(CCOCC3)[C@H](O)C2=O)CC1 ZINC000840000600 669345941 /nfs/dbraw/zinc/34/59/41/669345941.db2.gz RCMRTTZOIKCDEP-QGZVFWFLSA-N 2 1 353.507 0.998 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804048877 669353854 /nfs/dbraw/zinc/35/38/54/669353854.db2.gz ABZLISOHJSJUEA-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000811742754 669766292 /nfs/dbraw/zinc/76/62/92/669766292.db2.gz JNKBBCKLXFHIIQ-QGZVFWFLSA-N 2 1 354.451 0.481 20 0 FCADMP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000811742754 669766296 /nfs/dbraw/zinc/76/62/96/669766296.db2.gz JNKBBCKLXFHIIQ-QGZVFWFLSA-N 2 1 354.451 0.481 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000830454136 669784745 /nfs/dbraw/zinc/78/47/45/669784745.db2.gz BGUCPTIVVPFTQD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000830454136 669784750 /nfs/dbraw/zinc/78/47/50/669784750.db2.gz BGUCPTIVVPFTQD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000830454136 669784755 /nfs/dbraw/zinc/78/47/55/669784755.db2.gz BGUCPTIVVPFTQD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000830454136 669784759 /nfs/dbraw/zinc/78/47/59/669784759.db2.gz BGUCPTIVVPFTQD-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814206668 669877989 /nfs/dbraw/zinc/87/79/89/669877989.db2.gz DRHDOYGTAWKPGG-INIZCTEOSA-N 2 1 369.579 0.927 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834791300 669975298 /nfs/dbraw/zinc/97/52/98/669975298.db2.gz GSGVNGKYYOXSRT-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834791300 669975301 /nfs/dbraw/zinc/97/53/01/669975301.db2.gz GSGVNGKYYOXSRT-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834791300 669975303 /nfs/dbraw/zinc/97/53/03/669975303.db2.gz GSGVNGKYYOXSRT-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834791300 669975305 /nfs/dbraw/zinc/97/53/05/669975305.db2.gz GSGVNGKYYOXSRT-IYBDPMFKSA-N 2 1 356.511 0.402 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000817946213 670050106 /nfs/dbraw/zinc/05/01/06/670050106.db2.gz UQOMUVNHQBUHBV-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000965937160 675112216 /nfs/dbraw/zinc/11/22/16/675112216.db2.gz UCTMUQIBXHTJED-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000965937160 675112217 /nfs/dbraw/zinc/11/22/17/675112217.db2.gz UCTMUQIBXHTJED-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000965937160 675112219 /nfs/dbraw/zinc/11/22/19/675112219.db2.gz UCTMUQIBXHTJED-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C(COC)COC)CC1 ZINC000840853275 670522640 /nfs/dbraw/zinc/52/26/40/670522640.db2.gz IYFFNKLWKXECQT-OAHLLOKOSA-N 2 1 358.552 0.624 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C(COC)COC)CC1 ZINC000840853275 670522643 /nfs/dbraw/zinc/52/26/43/670522643.db2.gz IYFFNKLWKXECQT-OAHLLOKOSA-N 2 1 358.552 0.624 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841229737 670542519 /nfs/dbraw/zinc/54/25/19/670542519.db2.gz JQUYRIDSBKXIRK-LLVKDONJSA-N 2 1 353.854 0.494 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000842050240 670630283 /nfs/dbraw/zinc/63/02/83/670630283.db2.gz RTKTZTHMPYGMJH-DNVCBOLYSA-N 2 1 350.507 0.968 20 0 FCADMP CCCCOC(=O)CC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476649 670692912 /nfs/dbraw/zinc/69/29/12/670692912.db2.gz DIKWTJWZAYYBHU-CVEARBPZSA-N 2 1 352.479 0.940 20 0 FCADMP Cc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1S(N)(=O)=O ZINC000843355237 670804789 /nfs/dbraw/zinc/80/47/89/670804789.db2.gz NYKYBVHCMIWLMS-UHFFFAOYSA-N 2 1 354.476 0.783 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)o1 ZINC000843389169 670811724 /nfs/dbraw/zinc/81/17/24/670811724.db2.gz LFYOKHJJFXGUQZ-ZBFHGGJFSA-N 2 1 357.476 0.858 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000843388945 670811879 /nfs/dbraw/zinc/81/18/79/670811879.db2.gz YUAFYJQDBWLEHK-JKSUJKDBSA-N 2 1 352.479 0.609 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706831 671139255 /nfs/dbraw/zinc/13/92/55/671139255.db2.gz QMRIPATVDOPFFQ-QWHCGFSZSA-N 2 1 351.451 0.474 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000968015872 675178616 /nfs/dbraw/zinc/17/86/16/675178616.db2.gz SANICWUUGUTARF-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000968015872 675178621 /nfs/dbraw/zinc/17/86/21/675178621.db2.gz SANICWUUGUTARF-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000968015872 675178622 /nfs/dbraw/zinc/17/86/22/675178622.db2.gz SANICWUUGUTARF-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968112664 675184292 /nfs/dbraw/zinc/18/42/92/675184292.db2.gz CGXBIIOTSXPKQW-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968112664 675184295 /nfs/dbraw/zinc/18/42/95/675184295.db2.gz CGXBIIOTSXPKQW-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968112664 675184298 /nfs/dbraw/zinc/18/42/98/675184298.db2.gz CGXBIIOTSXPKQW-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051251 671316395 /nfs/dbraw/zinc/31/63/95/671316395.db2.gz CSLIROYUTHFPTP-OLZOCXBDSA-N 2 1 351.417 0.848 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC001048825367 675899149 /nfs/dbraw/zinc/89/91/49/675899149.db2.gz SDHAZPFIKGNZTJ-XDNAFOTISA-N 2 1 351.491 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000850863845 671414416 /nfs/dbraw/zinc/41/44/16/671414416.db2.gz DSZCPCGKPVCZPX-LBPRGKRZSA-N 2 1 367.881 0.754 20 0 FCADMP C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000903511405 675935945 /nfs/dbraw/zinc/93/59/45/675935945.db2.gz RSABTAKVGCNRGG-LVYXFOGZSA-N 2 1 350.507 0.523 20 0 FCADMP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000859271897 671806284 /nfs/dbraw/zinc/80/62/84/671806284.db2.gz JFINGEFHZUDJHU-USTZCAOPSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000859271897 671806289 /nfs/dbraw/zinc/80/62/89/671806289.db2.gz JFINGEFHZUDJHU-USTZCAOPSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000859271897 671806291 /nfs/dbraw/zinc/80/62/91/671806291.db2.gz JFINGEFHZUDJHU-USTZCAOPSA-N 2 1 374.598 0.858 20 0 FCADMP CC1(C)CN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903562386 675945035 /nfs/dbraw/zinc/94/50/35/675945035.db2.gz LCDWGXHPOUIJHP-IYBDPMFKSA-N 2 1 372.535 0.243 20 0 FCADMP CC1(C)CN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903562386 675945036 /nfs/dbraw/zinc/94/50/36/675945036.db2.gz LCDWGXHPOUIJHP-IYBDPMFKSA-N 2 1 372.535 0.243 20 0 FCADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724410 675964010 /nfs/dbraw/zinc/96/40/10/675964010.db2.gz NFHIRKRSWJABHM-HZPDHXFCSA-N 2 1 359.536 0.939 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000864085787 672174358 /nfs/dbraw/zinc/17/43/58/672174358.db2.gz DZWFCXGVGTYBDI-FGTMMUONSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000865932647 672256326 /nfs/dbraw/zinc/25/63/26/672256326.db2.gz XTVOHAFXBSZUAQ-ZIAGYGMSSA-N 2 1 360.449 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3CCC3)CC2)CC[N@H+]1C ZINC001055490166 676021295 /nfs/dbraw/zinc/02/12/95/676021295.db2.gz HKWPOBYJMAOTKC-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055650955 676029731 /nfs/dbraw/zinc/02/97/31/676029731.db2.gz CAOHSOZDFHVTHV-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055650957 676029780 /nfs/dbraw/zinc/02/97/80/676029780.db2.gz CAOHSOZDFHVTHV-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP COC(=O)CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000871600882 672563722 /nfs/dbraw/zinc/56/37/22/672563722.db2.gz FUKDDVCTEJSBHK-CABCVRRESA-N 2 1 353.463 0.731 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)CC[N@H+]1C ZINC001000706254 676059846 /nfs/dbraw/zinc/05/98/46/676059846.db2.gz ZGJJRLWRWULQTG-BHYGNILZSA-N 2 1 350.507 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)CC[NH+]1C ZINC001000706254 676059848 /nfs/dbraw/zinc/05/98/48/676059848.db2.gz ZGJJRLWRWULQTG-BHYGNILZSA-N 2 1 350.507 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)CC[NH+]1C ZINC001000706254 676059849 /nfs/dbraw/zinc/05/98/49/676059849.db2.gz ZGJJRLWRWULQTG-BHYGNILZSA-N 2 1 350.507 0.942 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001050050784 676078048 /nfs/dbraw/zinc/07/80/48/676078048.db2.gz HPTHEOBLXJTNGO-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001050050784 676078049 /nfs/dbraw/zinc/07/80/49/676078049.db2.gz HPTHEOBLXJTNGO-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001050050784 676078050 /nfs/dbraw/zinc/07/80/50/676078050.db2.gz HPTHEOBLXJTNGO-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001050050784 676078051 /nfs/dbraw/zinc/07/80/51/676078051.db2.gz HPTHEOBLXJTNGO-MWDXBVQZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[NH+]2CCC2CCOCC2)CC[N@@H+]1C ZINC001050922420 676094790 /nfs/dbraw/zinc/09/47/90/676094790.db2.gz BUEFVOLHWYVDTQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[NH+]2CCC2CCOCC2)CC[N@H+]1C ZINC001050922420 676094792 /nfs/dbraw/zinc/09/47/92/676094792.db2.gz BUEFVOLHWYVDTQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[N@@H+]2CCC2CCOCC2)CC[NH+]1C ZINC001050922420 676094794 /nfs/dbraw/zinc/09/47/94/676094794.db2.gz BUEFVOLHWYVDTQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[N@H+]2CCC2CCOCC2)CC[NH+]1C ZINC001050922420 676094795 /nfs/dbraw/zinc/09/47/95/676094795.db2.gz BUEFVOLHWYVDTQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000878980793 673091774 /nfs/dbraw/zinc/09/17/74/673091774.db2.gz FJGIRLFTDUORBA-WNRNVDISSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nn(C)cc3Cl)C2)CC[N@@H+]1C ZINC001051624221 676107155 /nfs/dbraw/zinc/10/71/55/676107155.db2.gz NQBKGZBZQGNRIT-HZSPNIEDSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nn(C)cc3Cl)C2)CC[N@H+]1C ZINC001051624221 676107157 /nfs/dbraw/zinc/10/71/57/676107157.db2.gz NQBKGZBZQGNRIT-HZSPNIEDSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nn(C)cc3Cl)C2)CC[N@@H+]1C ZINC001051624222 676107085 /nfs/dbraw/zinc/10/70/85/676107085.db2.gz NQBKGZBZQGNRIT-MGPQQGTHSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nn(C)cc3Cl)C2)CC[N@H+]1C ZINC001051624222 676107088 /nfs/dbraw/zinc/10/70/88/676107088.db2.gz NQBKGZBZQGNRIT-MGPQQGTHSA-N 2 1 369.897 0.731 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC000882493455 673316082 /nfs/dbraw/zinc/31/60/82/673316082.db2.gz HRNRASFTRSIOBU-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC000882493455 673316084 /nfs/dbraw/zinc/31/60/84/673316084.db2.gz HRNRASFTRSIOBU-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC000882493455 673316087 /nfs/dbraw/zinc/31/60/87/673316087.db2.gz HRNRASFTRSIOBU-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883401281 673373397 /nfs/dbraw/zinc/37/33/97/673373397.db2.gz IXJINPQABWBOPW-UHFFFAOYSA-N 2 1 356.536 0.978 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])CC(F)(F)F)C1 ZINC000883445305 673376244 /nfs/dbraw/zinc/37/62/44/673376244.db2.gz SJQASLGNKJLCGY-ZDUSSCGKSA-N 2 1 354.417 0.282 20 0 FCADMP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230573 673440377 /nfs/dbraw/zinc/44/03/77/673440377.db2.gz VDWIQDCANUIVGE-YOEHRIQHSA-N 2 1 351.447 0.758 20 0 FCADMP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230573 673440381 /nfs/dbraw/zinc/44/03/81/673440381.db2.gz VDWIQDCANUIVGE-YOEHRIQHSA-N 2 1 351.447 0.758 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884508390 673458501 /nfs/dbraw/zinc/45/85/01/673458501.db2.gz CQYCCWNTBIRDMX-VXGBXAGGSA-N 2 1 361.368 0.293 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000884523200 673459850 /nfs/dbraw/zinc/45/98/50/673459850.db2.gz RSNFLBIWPVQVIP-UMVBOHGHSA-N 2 1 364.515 0.664 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000884523200 673459853 /nfs/dbraw/zinc/45/98/53/673459853.db2.gz RSNFLBIWPVQVIP-UMVBOHGHSA-N 2 1 364.515 0.664 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884546733 673461035 /nfs/dbraw/zinc/46/10/35/673461035.db2.gz SHWCARIIWINPGX-HNNXBMFYSA-N 2 1 354.495 0.109 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560392 673462370 /nfs/dbraw/zinc/46/23/70/673462370.db2.gz WULPOIOTZSLCFG-CABCVRRESA-N 2 1 352.479 0.086 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884576174 673463151 /nfs/dbraw/zinc/46/31/51/673463151.db2.gz BKBHGEZIMFDPQI-APWZRJJASA-N 2 1 350.507 0.827 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598264 673464815 /nfs/dbraw/zinc/46/48/15/673464815.db2.gz XBFXPOOUVIKFHR-JTDSTZFVSA-N 2 1 350.507 0.683 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884603290 673465040 /nfs/dbraw/zinc/46/50/40/673465040.db2.gz GMTHQPGFQFJVHP-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884603572 673465353 /nfs/dbraw/zinc/46/53/53/673465353.db2.gz MEQNUDBBZQLIMF-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000884652575 673469905 /nfs/dbraw/zinc/46/99/05/673469905.db2.gz YCGJDKXJEFQERR-SFHVURJKSA-N 2 1 354.495 0.048 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884664669 673470628 /nfs/dbraw/zinc/47/06/28/673470628.db2.gz RPRDFGWIGAEPMW-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878946 673488317 /nfs/dbraw/zinc/48/83/17/673488317.db2.gz OEPBZDKAUAKANA-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285566 673512304 /nfs/dbraw/zinc/51/23/04/673512304.db2.gz QXHNSZCTSZMVRF-KGLIPLIRSA-N 2 1 360.449 0.442 20 0 FCADMP O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755274 673685922 /nfs/dbraw/zinc/68/59/22/673685922.db2.gz FIPIIJDIWYBNRI-KSZLIROESA-N 2 1 351.491 0.687 20 0 FCADMP C[C@H](CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130332 673704317 /nfs/dbraw/zinc/70/43/17/673704317.db2.gz QDJGYMLYVBKFKZ-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H](CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130330 673704487 /nfs/dbraw/zinc/70/44/87/673704487.db2.gz QDJGYMLYVBKFKZ-IAGOWNOFSA-N 2 1 355.527 0.422 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000926360910 673826790 /nfs/dbraw/zinc/82/67/90/673826790.db2.gz KEPFFHQQLVEGDD-HZPDHXFCSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000926360910 673826793 /nfs/dbraw/zinc/82/67/93/673826793.db2.gz KEPFFHQQLVEGDD-HZPDHXFCSA-N 2 1 354.495 0.143 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000926445602 673831837 /nfs/dbraw/zinc/83/18/37/673831837.db2.gz XXWWGTMXKSIFOL-HZMVEIRTSA-N 2 1 350.507 0.761 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000926445602 673831838 /nfs/dbraw/zinc/83/18/38/673831838.db2.gz XXWWGTMXKSIFOL-HZMVEIRTSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000927633756 673871945 /nfs/dbraw/zinc/87/19/45/673871945.db2.gz CLAMSNCWWRHSQK-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@H](C)[NH+]1CCO ZINC000927633756 673871948 /nfs/dbraw/zinc/87/19/48/673871948.db2.gz CLAMSNCWWRHSQK-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@H](C)[NH+]1CCO ZINC000927633756 673871951 /nfs/dbraw/zinc/87/19/51/673871951.db2.gz CLAMSNCWWRHSQK-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000930246491 674008158 /nfs/dbraw/zinc/00/81/58/674008158.db2.gz MYGBPLSSLFITKN-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000930246491 674008161 /nfs/dbraw/zinc/00/81/61/674008161.db2.gz MYGBPLSSLFITKN-QGZVFWFLSA-N 2 1 350.507 0.872 20 0 FCADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071792 675268411 /nfs/dbraw/zinc/26/84/11/675268411.db2.gz GLCOVBXZWITQHE-SUYBPPKGSA-N 2 1 350.463 0.955 20 0 FCADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071792 675268412 /nfs/dbraw/zinc/26/84/12/675268412.db2.gz GLCOVBXZWITQHE-SUYBPPKGSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001011130319 675374311 /nfs/dbraw/zinc/37/43/11/675374311.db2.gz AYXPNPAGFPIYQH-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001011207978 675376532 /nfs/dbraw/zinc/37/65/32/675376532.db2.gz FEMHYEVWJINQGB-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001011209177 675376792 /nfs/dbraw/zinc/37/67/92/675376792.db2.gz LKBXOYHEOJNBGE-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001011211559 675377241 /nfs/dbraw/zinc/37/72/41/675377241.db2.gz AOWSWWTZAFLPOB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC[NH+]1C ZINC001011211559 675377244 /nfs/dbraw/zinc/37/72/44/675377244.db2.gz AOWSWWTZAFLPOB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC[NH+]1C ZINC001011211559 675377247 /nfs/dbraw/zinc/37/72/47/675377247.db2.gz AOWSWWTZAFLPOB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001014504124 675391518 /nfs/dbraw/zinc/39/15/18/675391518.db2.gz UWYNBXSZCOCJHX-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001014504124 675391519 /nfs/dbraw/zinc/39/15/19/675391519.db2.gz UWYNBXSZCOCJHX-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001014504124 675391521 /nfs/dbraw/zinc/39/15/21/675391521.db2.gz UWYNBXSZCOCJHX-SOUVJXGZSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NC)C3)CC[N@H+]1C ZINC001040209542 675460091 /nfs/dbraw/zinc/46/00/91/675460091.db2.gz KBNJLCQOQKFEGF-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)NC)C3)CC[NH+]1C ZINC001040209542 675460093 /nfs/dbraw/zinc/46/00/93/675460093.db2.gz KBNJLCQOQKFEGF-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)NC)C3)CC[NH+]1C ZINC001040209542 675460096 /nfs/dbraw/zinc/46/00/96/675460096.db2.gz KBNJLCQOQKFEGF-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@H](C)C(N)=O)CC3)CC[N@H+]1C ZINC001040707959 675469210 /nfs/dbraw/zinc/46/92/10/675469210.db2.gz MKGGMAHRAJKBAC-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001045443963 675653736 /nfs/dbraw/zinc/65/37/36/675653736.db2.gz ACEXSPXPDLELQA-XHSDSOJGSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001045441003 675653754 /nfs/dbraw/zinc/65/37/54/675653754.db2.gz UCYUPNKEAZRMEM-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCF)CC3)O1 ZINC001045672353 675656684 /nfs/dbraw/zinc/65/66/84/675656684.db2.gz BVSASKBUGDVJAQ-BZUAXINKSA-N 2 1 357.470 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCF)CC3)O1 ZINC001045672353 675656687 /nfs/dbraw/zinc/65/66/87/675656687.db2.gz BVSASKBUGDVJAQ-BZUAXINKSA-N 2 1 357.470 0.662 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443391 675682702 /nfs/dbraw/zinc/68/27/02/675682702.db2.gz WNLHZVOEALPXTJ-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443391 675682703 /nfs/dbraw/zinc/68/27/03/675682703.db2.gz WNLHZVOEALPXTJ-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000900443391 675682704 /nfs/dbraw/zinc/68/27/04/675682704.db2.gz WNLHZVOEALPXTJ-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612571 675699671 /nfs/dbraw/zinc/69/96/71/675699671.db2.gz KGFBQYJLRYXEDL-INIZCTEOSA-N 2 1 351.495 0.372 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612571 675699672 /nfs/dbraw/zinc/69/96/72/675699672.db2.gz KGFBQYJLRYXEDL-INIZCTEOSA-N 2 1 351.495 0.372 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000900614879 675700150 /nfs/dbraw/zinc/70/01/50/675700150.db2.gz IUFJOWQFSSWUFB-UHFFFAOYSA-N 2 1 351.495 0.230 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001046329711 675708686 /nfs/dbraw/zinc/70/86/86/675708686.db2.gz QVKXKQRGIOLBSB-HBUWYVDXSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046329711 675708687 /nfs/dbraw/zinc/70/86/87/675708687.db2.gz QVKXKQRGIOLBSB-HBUWYVDXSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001046329711 675708688 /nfs/dbraw/zinc/70/86/88/675708688.db2.gz QVKXKQRGIOLBSB-HBUWYVDXSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001046331024 675709183 /nfs/dbraw/zinc/70/91/83/675709183.db2.gz ZWEIBEMASUBJCA-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001046331024 675709186 /nfs/dbraw/zinc/70/91/86/675709186.db2.gz ZWEIBEMASUBJCA-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001046331024 675709189 /nfs/dbraw/zinc/70/91/89/675709189.db2.gz ZWEIBEMASUBJCA-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001046332626 675709429 /nfs/dbraw/zinc/70/94/29/675709429.db2.gz RKSCHLYIIGBSEP-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001046332626 675709432 /nfs/dbraw/zinc/70/94/32/675709432.db2.gz RKSCHLYIIGBSEP-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001046332626 675709433 /nfs/dbraw/zinc/70/94/33/675709433.db2.gz RKSCHLYIIGBSEP-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001046332626 675709436 /nfs/dbraw/zinc/70/94/36/675709436.db2.gz RKSCHLYIIGBSEP-MDZRGWNJSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900732575 675711515 /nfs/dbraw/zinc/71/15/15/675711515.db2.gz MPAQBKUHOMLNAH-KURKYZTESA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900732575 675711516 /nfs/dbraw/zinc/71/15/16/675711516.db2.gz MPAQBKUHOMLNAH-KURKYZTESA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900732575 675711517 /nfs/dbraw/zinc/71/15/17/675711517.db2.gz MPAQBKUHOMLNAH-KURKYZTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCc3ccns3)C2)O1 ZINC001046414499 675714290 /nfs/dbraw/zinc/71/42/90/675714290.db2.gz IUXYQJDURXBZLO-FRFSOERESA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCc3ccns3)C2)O1 ZINC001046414499 675714292 /nfs/dbraw/zinc/71/42/92/675714292.db2.gz IUXYQJDURXBZLO-FRFSOERESA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCc3ccns3)C2)O1 ZINC001046414499 675714295 /nfs/dbraw/zinc/71/42/95/675714295.db2.gz IUXYQJDURXBZLO-FRFSOERESA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCc3ccns3)C2)O1 ZINC001046414499 675714296 /nfs/dbraw/zinc/71/42/96/675714296.db2.gz IUXYQJDURXBZLO-FRFSOERESA-N 2 1 352.504 0.985 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000900812533 675719893 /nfs/dbraw/zinc/71/98/93/675719893.db2.gz WDYBHZFYRHOOIC-ZWKOTPCHSA-N 2 1 353.555 0.543 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC001088577648 1192192736 /nfs/dbraw/zinc/19/27/36/1192192736.db2.gz HDACWYMJLFRUHR-XOUADPBQSA-N 2 1 372.473 0.442 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2C)CC[NH+]1C ZINC001088577648 1192192760 /nfs/dbraw/zinc/19/27/60/1192192760.db2.gz HDACWYMJLFRUHR-XOUADPBQSA-N 2 1 372.473 0.442 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2C)CC[NH+]1C ZINC001088577648 1192192787 /nfs/dbraw/zinc/19/27/87/1192192787.db2.gz HDACWYMJLFRUHR-XOUADPBQSA-N 2 1 372.473 0.442 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088577648 1192192801 /nfs/dbraw/zinc/19/28/01/1192192801.db2.gz HDACWYMJLFRUHR-XOUADPBQSA-N 2 1 372.473 0.442 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088577648 1192192812 /nfs/dbraw/zinc/19/28/12/1192192812.db2.gz HDACWYMJLFRUHR-XOUADPBQSA-N 2 1 372.473 0.442 20 0 FCADMP CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncn2C)[C@@H]1C ZINC000988514201 1192246529 /nfs/dbraw/zinc/24/65/29/1192246529.db2.gz LJKXREPICOMWII-PVAVHDDUSA-N 2 1 361.490 0.943 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001772503057 1167729367 /nfs/dbraw/zinc/72/93/67/1167729367.db2.gz PMUFSADORQZEOM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112470237 1167768447 /nfs/dbraw/zinc/76/84/47/1167768447.db2.gz GIQDFFADCOSNTE-LPHOPBHVSA-N 2 1 359.474 0.642 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)CC[N@H+]1C ZINC001020415984 1167808713 /nfs/dbraw/zinc/80/87/13/1167808713.db2.gz PNYSKHIJFHQYSA-LUKYLMHMSA-N 2 1 362.518 0.918 20 0 FCADMP CCc1nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001125304500 1168095379 /nfs/dbraw/zinc/09/53/79/1168095379.db2.gz BXTHFISFHIIRRM-BZUAXINKSA-N 2 1 363.506 0.943 20 0 FCADMP CCc1nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001125304500 1168095383 /nfs/dbraw/zinc/09/53/83/1168095383.db2.gz BXTHFISFHIIRRM-BZUAXINKSA-N 2 1 363.506 0.943 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001167095537 1168200542 /nfs/dbraw/zinc/20/05/42/1168200542.db2.gz CZEJRBSWKLLLMK-SQNIBIBYSA-N 2 1 358.486 0.706 20 0 FCADMP COc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969958145 1168235139 /nfs/dbraw/zinc/23/51/39/1168235139.db2.gz IZPHGBDYSKCAPA-JKIFEVAISA-N 2 1 362.474 0.746 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21)[NH+](C)C ZINC001083195715 1168368486 /nfs/dbraw/zinc/36/84/86/1168368486.db2.gz KSQSLCJJTCIGFN-INDMIFKZSA-N 2 1 361.486 0.972 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21)[NH+](C)C ZINC001083195715 1168368491 /nfs/dbraw/zinc/36/84/91/1168368491.db2.gz KSQSLCJJTCIGFN-INDMIFKZSA-N 2 1 361.486 0.972 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000020630385 1168370137 /nfs/dbraw/zinc/37/01/37/1168370137.db2.gz BOOMDPPPNUAZEO-UHFFFAOYSA-N 2 1 371.485 0.778 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21)[NH+](C)C ZINC001083196004 1168383804 /nfs/dbraw/zinc/38/38/04/1168383804.db2.gz BBEKIZGNKDCHGN-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21)[NH+](C)C ZINC001083196004 1168383809 /nfs/dbraw/zinc/38/38/09/1168383809.db2.gz BBEKIZGNKDCHGN-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088605400 1192306954 /nfs/dbraw/zinc/30/69/54/1192306954.db2.gz RQXIURHRRBTCLS-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088605400 1192306961 /nfs/dbraw/zinc/30/69/61/1192306961.db2.gz RQXIURHRRBTCLS-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104265173 1168848129 /nfs/dbraw/zinc/84/81/29/1168848129.db2.gz WILNQPZCUMZNKV-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001021263391 1168883783 /nfs/dbraw/zinc/88/37/83/1168883783.db2.gz TVBRAVHGIRPPNH-AKBNIOSXSA-N 2 1 363.506 0.463 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001021263391 1168883784 /nfs/dbraw/zinc/88/37/84/1168883784.db2.gz TVBRAVHGIRPPNH-AKBNIOSXSA-N 2 1 363.506 0.463 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001021263391 1168883785 /nfs/dbraw/zinc/88/37/85/1168883785.db2.gz TVBRAVHGIRPPNH-AKBNIOSXSA-N 2 1 363.506 0.463 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3cncn3C)CCCC2)CC[N@H+]1C ZINC001746232980 1192355142 /nfs/dbraw/zinc/35/51/42/1192355142.db2.gz NXGSXGSRDUAROU-GDBMZVCRSA-N 2 1 361.490 0.848 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001021711812 1169914000 /nfs/dbraw/zinc/91/40/00/1169914000.db2.gz CZRKPFMXKJWNPM-LZLYRXPVSA-N 2 1 361.490 0.837 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CCC1 ZINC001021941819 1170329874 /nfs/dbraw/zinc/32/98/74/1170329874.db2.gz TYLLSWWNMJAMIW-DOTOQJQBSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@H](O)C[NH+](Cc1cccc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1)[C@@H](C)CO ZINC000276220770 1170360770 /nfs/dbraw/zinc/36/07/70/1170360770.db2.gz QOBJUSGOLXSYHG-XSLAGTTESA-N 2 1 368.518 0.814 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)CN1CC[NH+](C)CC1 ZINC000891602700 1170710826 /nfs/dbraw/zinc/71/08/26/1170710826.db2.gz LLTYBUBUJNIMPG-APWZRJJASA-N 2 1 359.518 0.884 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218759 1170766086 /nfs/dbraw/zinc/76/60/86/1170766086.db2.gz DXCVSDDNCGIDPD-YESZJQIVSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)O1 ZINC001022275693 1170824429 /nfs/dbraw/zinc/82/44/29/1170824429.db2.gz QRYJQLLJHSGQJW-SOGIYBJLSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccc(F)cc3)C2)O1 ZINC001022275693 1170824432 /nfs/dbraw/zinc/82/44/32/1170824432.db2.gz QRYJQLLJHSGQJW-SOGIYBJLSA-N 2 1 365.449 0.815 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001691217100 1170862779 /nfs/dbraw/zinc/86/27/79/1170862779.db2.gz WHNRCTSMHLIDKK-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001691217100 1170862781 /nfs/dbraw/zinc/86/27/81/1170862781.db2.gz WHNRCTSMHLIDKK-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001691232127 1170875653 /nfs/dbraw/zinc/87/56/53/1170875653.db2.gz OQHGXGRJHILICT-BBWFWOEESA-N 2 1 365.522 0.761 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855625 1170986293 /nfs/dbraw/zinc/98/62/93/1170986293.db2.gz LGHUULIYFFKPRN-SJORKVTESA-N 2 1 368.522 0.945 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)C1 ZINC001691268595 1171003063 /nfs/dbraw/zinc/00/30/63/1171003063.db2.gz VKBQJEHIKLWAKY-BFHYXJOUSA-N 2 1 365.503 0.908 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001691324877 1171098681 /nfs/dbraw/zinc/09/86/81/1171098681.db2.gz ZDLZFDXPRIIHRS-HRCADAONSA-N 2 1 359.536 0.590 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1OCC ZINC001691338183 1171145372 /nfs/dbraw/zinc/14/53/72/1171145372.db2.gz YBYJICRKZHCIAB-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938038747 1192457251 /nfs/dbraw/zinc/45/72/51/1192457251.db2.gz BNCVCJJGOFGRNO-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892163310 1171666893 /nfs/dbraw/zinc/66/68/93/1171666893.db2.gz NAVLVUCPZBBNSM-QZTJIDSGSA-N 2 1 367.538 0.614 20 0 FCADMP Cc1cc(C)n(CCN2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455400 1192478217 /nfs/dbraw/zinc/47/82/17/1192478217.db2.gz BKIOKXVZSVAUMA-SQNIBIBYSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455400 1192478221 /nfs/dbraw/zinc/47/82/21/1192478221.db2.gz BKIOKXVZSVAUMA-SQNIBIBYSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455400 1192478226 /nfs/dbraw/zinc/47/82/26/1192478226.db2.gz BKIOKXVZSVAUMA-SQNIBIBYSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455400 1192478231 /nfs/dbraw/zinc/47/82/31/1192478231.db2.gz BKIOKXVZSVAUMA-SQNIBIBYSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892180344 1171693417 /nfs/dbraw/zinc/69/34/17/1171693417.db2.gz MRHDXQNWBUGASC-ROUUACIJSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000892180344 1171693421 /nfs/dbraw/zinc/69/34/21/1171693421.db2.gz MRHDXQNWBUGASC-ROUUACIJSA-N 2 1 362.474 0.483 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000972255603 1171889183 /nfs/dbraw/zinc/88/91/83/1171889183.db2.gz XFLUOPYGFHDJJO-IAGOWNOFSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001104421232 1171938505 /nfs/dbraw/zinc/93/85/05/1171938505.db2.gz IRFNKMKFKVSKQT-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000892293099 1172040253 /nfs/dbraw/zinc/04/02/53/1172040253.db2.gz WWSAEIDATWNHRD-GOSISDBHSA-N 2 1 364.490 0.860 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000892293099 1172040261 /nfs/dbraw/zinc/04/02/61/1172040261.db2.gz WWSAEIDATWNHRD-GOSISDBHSA-N 2 1 364.490 0.860 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087226245 1172077762 /nfs/dbraw/zinc/07/77/62/1172077762.db2.gz KWBPZOTVKHTNOP-CVEARBPZSA-N 2 1 364.494 0.254 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000897669443 1192840574 /nfs/dbraw/zinc/84/05/74/1192840574.db2.gz UQTBWLGQSOYNQG-RDJZCZTQSA-N 2 1 371.485 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001075943561 1192871046 /nfs/dbraw/zinc/87/10/46/1192871046.db2.gz WYJIOYDQCZVYQC-XWPNQZOQSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001075943561 1192871047 /nfs/dbraw/zinc/87/10/47/1192871047.db2.gz WYJIOYDQCZVYQC-XWPNQZOQSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001075943561 1192871049 /nfs/dbraw/zinc/87/10/49/1192871049.db2.gz WYJIOYDQCZVYQC-XWPNQZOQSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)O1 ZINC001075943561 1192871050 /nfs/dbraw/zinc/87/10/50/1192871050.db2.gz WYJIOYDQCZVYQC-XWPNQZOQSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C[NH2+]Cc2cnon2)C1 ZINC001087231372 1178854579 /nfs/dbraw/zinc/85/45/79/1178854579.db2.gz RMBMJEZXOVAKNL-ZBFHGGJFSA-N 2 1 365.478 0.897 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565140 1178863984 /nfs/dbraw/zinc/86/39/84/1178863984.db2.gz NYAZYXRSFSKTIV-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565140 1178863985 /nfs/dbraw/zinc/86/39/85/1178863985.db2.gz NYAZYXRSFSKTIV-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450713 1179752985 /nfs/dbraw/zinc/75/29/85/1179752985.db2.gz JCBLBGQJDUKAMH-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450713 1179752992 /nfs/dbraw/zinc/75/29/92/1179752992.db2.gz JCBLBGQJDUKAMH-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450713 1179753004 /nfs/dbraw/zinc/75/30/04/1179753004.db2.gz JCBLBGQJDUKAMH-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450713 1179753012 /nfs/dbraw/zinc/75/30/12/1179753012.db2.gz JCBLBGQJDUKAMH-UWWQBHOKSA-N 2 1 361.490 0.832 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000892369729 1179872043 /nfs/dbraw/zinc/87/20/43/1179872043.db2.gz JHJKEYXDPHMAHU-IRXDYDNUSA-N 2 1 358.490 0.679 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389543 1180210881 /nfs/dbraw/zinc/21/08/81/1180210881.db2.gz NMMBHIBYUVVWKZ-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001691481367 1180532296 /nfs/dbraw/zinc/53/22/96/1180532296.db2.gz FMOUQBGLVRNYHB-MSOLQXFVSA-N 2 1 360.502 0.858 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)CC[N@H+]1CC(=O)N(C)CC ZINC001691485261 1181688750 /nfs/dbraw/zinc/68/87/50/1181688750.db2.gz CRTQBIHOTHPGIO-HYVNUMGLSA-N 2 1 361.490 0.893 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)CCN1CC(=O)N(C)CC ZINC001691485261 1181688756 /nfs/dbraw/zinc/68/87/56/1181688756.db2.gz CRTQBIHOTHPGIO-HYVNUMGLSA-N 2 1 361.490 0.893 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000892536632 1181782969 /nfs/dbraw/zinc/78/29/69/1181782969.db2.gz RWFYUIANHBNNRG-GOSISDBHSA-N 2 1 364.490 0.813 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000892536632 1181782972 /nfs/dbraw/zinc/78/29/72/1181782972.db2.gz RWFYUIANHBNNRG-GOSISDBHSA-N 2 1 364.490 0.813 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000972994479 1181865422 /nfs/dbraw/zinc/86/54/22/1181865422.db2.gz LAGLWOPDHIFSJI-BRWVUGGUSA-N 2 1 359.474 0.817 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973330059 1182239614 /nfs/dbraw/zinc/23/96/14/1182239614.db2.gz BUDJABWOLIZCTC-HHARLNAUSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973330059 1182239622 /nfs/dbraw/zinc/23/96/22/1182239622.db2.gz BUDJABWOLIZCTC-HHARLNAUSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000973330059 1182239627 /nfs/dbraw/zinc/23/96/27/1182239627.db2.gz BUDJABWOLIZCTC-HHARLNAUSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000973330059 1182239636 /nfs/dbraw/zinc/23/96/36/1182239636.db2.gz BUDJABWOLIZCTC-HHARLNAUSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000973333675 1182244103 /nfs/dbraw/zinc/24/41/03/1182244103.db2.gz JTKPAWIXVFVYTI-VIQHNZTISA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000973333675 1182244104 /nfs/dbraw/zinc/24/41/04/1182244104.db2.gz JTKPAWIXVFVYTI-VIQHNZTISA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000973333675 1182244107 /nfs/dbraw/zinc/24/41/07/1182244107.db2.gz JTKPAWIXVFVYTI-VIQHNZTISA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000973333675 1182244110 /nfs/dbraw/zinc/24/41/10/1182244110.db2.gz JTKPAWIXVFVYTI-VIQHNZTISA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000973417067 1182297327 /nfs/dbraw/zinc/29/73/27/1182297327.db2.gz PWVFEAOFZMUMHD-DNNBLBMLSA-N 2 1 371.441 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000973417067 1182297335 /nfs/dbraw/zinc/29/73/35/1182297335.db2.gz PWVFEAOFZMUMHD-DNNBLBMLSA-N 2 1 371.441 0.430 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001481136871 1182444277 /nfs/dbraw/zinc/44/42/77/1182444277.db2.gz SJEIWWRHZVFWGW-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001481136871 1182444280 /nfs/dbraw/zinc/44/42/80/1182444280.db2.gz SJEIWWRHZVFWGW-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001481136871 1182444281 /nfs/dbraw/zinc/44/42/81/1182444281.db2.gz SJEIWWRHZVFWGW-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001481136871 1182444284 /nfs/dbraw/zinc/44/42/84/1182444284.db2.gz SJEIWWRHZVFWGW-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765438 1182484975 /nfs/dbraw/zinc/48/49/75/1182484975.db2.gz CALVRSMGYSFVDK-DLBZAZTESA-N 2 1 367.538 0.470 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892769124 1182489771 /nfs/dbraw/zinc/48/97/71/1182489771.db2.gz XPULYJDRBAUIAR-INIZCTEOSA-N 2 1 368.522 0.897 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892769124 1182489781 /nfs/dbraw/zinc/48/97/81/1182489781.db2.gz XPULYJDRBAUIAR-INIZCTEOSA-N 2 1 368.522 0.897 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892935796 1182621875 /nfs/dbraw/zinc/62/18/75/1182621875.db2.gz UELXURUSZMBGQI-KRWDZBQOSA-N 2 1 367.538 0.696 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C[NH+]1CCN(C)CC1 ZINC000893237934 1182965910 /nfs/dbraw/zinc/96/59/10/1182965910.db2.gz PSJFVWYWFLTMMN-KZNAEPCWSA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237934 1182965925 /nfs/dbraw/zinc/96/59/25/1182965925.db2.gz PSJFVWYWFLTMMN-KZNAEPCWSA-N 2 1 367.538 0.111 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)CN1CC[NH+](C)CC1 ZINC000893237934 1182965935 /nfs/dbraw/zinc/96/59/35/1182965935.db2.gz PSJFVWYWFLTMMN-KZNAEPCWSA-N 2 1 367.538 0.111 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104938851 1183012306 /nfs/dbraw/zinc/01/23/06/1183012306.db2.gz FLEGDRCYZSRTSI-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000974187626 1183036827 /nfs/dbraw/zinc/03/68/27/1183036827.db2.gz SOXOBMJGXKIVDB-WCXIOVBPSA-N 2 1 362.518 0.966 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)C1 ZINC001105041400 1183089135 /nfs/dbraw/zinc/08/91/35/1183089135.db2.gz CURGQCHSLRBYJL-ZACQAIPSSA-N 2 1 364.494 0.073 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)C1 ZINC001105041400 1183089139 /nfs/dbraw/zinc/08/91/39/1183089139.db2.gz CURGQCHSLRBYJL-ZACQAIPSSA-N 2 1 364.494 0.073 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001105042549 1183089916 /nfs/dbraw/zinc/08/99/16/1183089916.db2.gz WPWASSQIAUTBEQ-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnnn3C)C2)C1 ZINC001105042549 1183089923 /nfs/dbraw/zinc/08/99/23/1183089923.db2.gz WPWASSQIAUTBEQ-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001026514685 1183145240 /nfs/dbraw/zinc/14/52/40/1183145240.db2.gz ODTDCNIYAMZAKF-HELAGCTPSA-N 2 1 363.506 0.965 20 0 FCADMP Cc1nn(C)cc1C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001026514685 1183145244 /nfs/dbraw/zinc/14/52/44/1183145244.db2.gz ODTDCNIYAMZAKF-HELAGCTPSA-N 2 1 363.506 0.965 20 0 FCADMP CCn1cc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001026514324 1183145917 /nfs/dbraw/zinc/14/59/17/1183145917.db2.gz ACURRSKFPSZZGD-ARAOSMHQSA-N 2 1 364.494 0.534 20 0 FCADMP CCn1cc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001026514324 1183145925 /nfs/dbraw/zinc/14/59/25/1183145925.db2.gz ACURRSKFPSZZGD-ARAOSMHQSA-N 2 1 364.494 0.534 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc(C4CC4)n3C)C2)CC[N@H+]1C ZINC001026852906 1183415611 /nfs/dbraw/zinc/41/56/11/1183415611.db2.gz SUJJZRGXEBKBGY-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001026855735 1183425320 /nfs/dbraw/zinc/42/53/20/1183425320.db2.gz MMKSYRLBEVIPPI-VNQPRFMTSA-N 2 1 361.494 0.676 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975210885 1183773617 /nfs/dbraw/zinc/77/36/17/1183773617.db2.gz QDDULAOGPAZZBQ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975210885 1183773621 /nfs/dbraw/zinc/77/36/21/1183773621.db2.gz QDDULAOGPAZZBQ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975210885 1183773625 /nfs/dbraw/zinc/77/36/25/1183773625.db2.gz QDDULAOGPAZZBQ-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1)[NH+](C)C ZINC000975819604 1185818229 /nfs/dbraw/zinc/81/82/29/1185818229.db2.gz FOCMFJMHVLQAIQ-ULQDDVLXSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000976023903 1185875516 /nfs/dbraw/zinc/87/55/16/1185875516.db2.gz LUUJIDOBMIZVOH-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000979800715 1186122836 /nfs/dbraw/zinc/12/28/36/1186122836.db2.gz HQSDSZNWCHNOPK-TWPTVVAISA-N 2 1 362.518 0.679 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000980015598 1186162764 /nfs/dbraw/zinc/16/27/64/1186162764.db2.gz JWRFNPOISPHDIQ-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)O1 ZINC000980015598 1186162775 /nfs/dbraw/zinc/16/27/75/1186162775.db2.gz JWRFNPOISPHDIQ-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000980015598 1186162780 /nfs/dbraw/zinc/16/27/80/1186162780.db2.gz JWRFNPOISPHDIQ-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)O1 ZINC000980015598 1186162786 /nfs/dbraw/zinc/16/27/86/1186162786.db2.gz JWRFNPOISPHDIQ-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000981465854 1186419140 /nfs/dbraw/zinc/41/91/40/1186419140.db2.gz YKWSOMZVOJJCDC-YYIAUSFCSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000981477720 1186424663 /nfs/dbraw/zinc/42/46/63/1186424663.db2.gz MFDWLEPKDTWFKQ-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000981477720 1186424666 /nfs/dbraw/zinc/42/46/66/1186424666.db2.gz MFDWLEPKDTWFKQ-BBWFWOEESA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCCN(C)C2=O)C3)CC[N@H+]1C ZINC000981776822 1186517553 /nfs/dbraw/zinc/51/75/53/1186517553.db2.gz XNUCLKMBYQPLST-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC000981776822 1186517556 /nfs/dbraw/zinc/51/75/56/1186517556.db2.gz XNUCLKMBYQPLST-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCCN(C)C2=O)C3)CC[NH+]1C ZINC000981776822 1186517559 /nfs/dbraw/zinc/51/75/59/1186517559.db2.gz XNUCLKMBYQPLST-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001028146165 1186553775 /nfs/dbraw/zinc/55/37/75/1186553775.db2.gz XPYCXAPSLMVKRB-BZUAXINKSA-N 2 1 359.474 0.727 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283483 1186697999 /nfs/dbraw/zinc/69/79/99/1186697999.db2.gz UIAKUOKLHJBGFQ-YMBUTIGBSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283483 1186698000 /nfs/dbraw/zinc/69/80/00/1186698000.db2.gz UIAKUOKLHJBGFQ-YMBUTIGBSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283483 1186698002 /nfs/dbraw/zinc/69/80/02/1186698002.db2.gz UIAKUOKLHJBGFQ-YMBUTIGBSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283480 1186698098 /nfs/dbraw/zinc/69/80/98/1186698098.db2.gz UIAKUOKLHJBGFQ-BIQFIRCYSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283480 1186698101 /nfs/dbraw/zinc/69/81/01/1186698101.db2.gz UIAKUOKLHJBGFQ-BIQFIRCYSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283480 1186698104 /nfs/dbraw/zinc/69/81/04/1186698104.db2.gz UIAKUOKLHJBGFQ-BIQFIRCYSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@]3(C)C[N@@H+](C[C@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306627 1186729377 /nfs/dbraw/zinc/72/93/77/1186729377.db2.gz VRSJPJKMHQNVAR-GNVJSZRZSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@]3(C)C[NH+](C[C@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306627 1186729383 /nfs/dbraw/zinc/72/93/83/1186729383.db2.gz VRSJPJKMHQNVAR-GNVJSZRZSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@]3(C)C[NH+](C[C@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306627 1186729388 /nfs/dbraw/zinc/72/93/88/1186729388.db2.gz VRSJPJKMHQNVAR-GNVJSZRZSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@]3(C)C[N@H+](C[C@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306627 1186729397 /nfs/dbraw/zinc/72/93/97/1186729397.db2.gz VRSJPJKMHQNVAR-GNVJSZRZSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@]3(C)C[N@@H+](C[C@H]4CCOC4)C[C@]3(C)C2)O1 ZINC000982306627 1186729403 /nfs/dbraw/zinc/72/94/03/1186729403.db2.gz VRSJPJKMHQNVAR-GNVJSZRZSA-N 2 1 365.518 0.912 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211732531 1187520466 /nfs/dbraw/zinc/52/04/66/1187520466.db2.gz MOQQEEVVTZTASK-OKZBNKHCSA-N 2 1 358.486 0.799 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000549787337 1187525950 /nfs/dbraw/zinc/52/59/50/1187525950.db2.gz WOGOZZTWKUJVEU-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001482015658 1187570903 /nfs/dbraw/zinc/57/09/03/1187570903.db2.gz CRHDWVFJXDQBEC-MWQQHZPXSA-N 2 1 350.507 0.870 20 0 FCADMP COc1coc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549360 1187601043 /nfs/dbraw/zinc/60/10/43/1187601043.db2.gz PJWWFLCMMLBDLM-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1=O ZINC001028549360 1187601045 /nfs/dbraw/zinc/60/10/45/1187601045.db2.gz PJWWFLCMMLBDLM-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1=O ZINC001028549360 1187601054 /nfs/dbraw/zinc/60/10/54/1187601054.db2.gz PJWWFLCMMLBDLM-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549360 1187601060 /nfs/dbraw/zinc/60/10/60/1187601060.db2.gz PJWWFLCMMLBDLM-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549360 1187601066 /nfs/dbraw/zinc/60/10/66/1187601066.db2.gz PJWWFLCMMLBDLM-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628243 1187756716 /nfs/dbraw/zinc/75/67/16/1187756716.db2.gz QINUJKNKWIEPIB-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628243 1187756722 /nfs/dbraw/zinc/75/67/22/1187756722.db2.gz QINUJKNKWIEPIB-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628243 1187756730 /nfs/dbraw/zinc/75/67/30/1187756730.db2.gz QINUJKNKWIEPIB-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001028628243 1187756736 /nfs/dbraw/zinc/75/67/36/1187756736.db2.gz QINUJKNKWIEPIB-AYOQOUSVSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629383 1187758742 /nfs/dbraw/zinc/75/87/42/1187758742.db2.gz KUHPAFFLOGVTTJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629383 1187758747 /nfs/dbraw/zinc/75/87/47/1187758747.db2.gz KUHPAFFLOGVTTJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629383 1187758750 /nfs/dbraw/zinc/75/87/50/1187758750.db2.gz KUHPAFFLOGVTTJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001028629383 1187758755 /nfs/dbraw/zinc/75/87/55/1187758755.db2.gz KUHPAFFLOGVTTJ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C[N@@H+](C)C3CCCC3)C[C@@]2(F)C1=O ZINC001270165194 1188036483 /nfs/dbraw/zinc/03/64/83/1188036483.db2.gz GTJNIJDUEOENDY-QZTJIDSGSA-N 2 1 372.460 0.523 20 0 FCADMP CCN(C)CC(=O)N1CCC[C@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001270175184 1188040730 /nfs/dbraw/zinc/04/07/30/1188040730.db2.gz CAJFNUAWULQXGX-SFHVURJKSA-N 2 1 361.446 0.203 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C[C@H](C1)O2 ZINC001270272730 1188073774 /nfs/dbraw/zinc/07/37/74/1188073774.db2.gz RWQLKUMLARFFDC-OKILXGFUSA-N 2 1 358.446 0.232 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCCCC1 ZINC000550270723 1188251960 /nfs/dbraw/zinc/25/19/60/1188251960.db2.gz AIECIWTUSXFJJU-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000983713803 1188280288 /nfs/dbraw/zinc/28/02/88/1188280288.db2.gz MOXFGNNDKFCTLR-YHUYYLMFSA-N 2 1 366.485 0.962 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382765335 1188311583 /nfs/dbraw/zinc/31/15/83/1188311583.db2.gz RVHYXPJUQCYWCG-SJORKVTESA-N 2 1 367.515 0.729 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000550413850 1188367132 /nfs/dbraw/zinc/36/71/32/1188367132.db2.gz DQNGVLXCMBLLAO-CRAIPNDOSA-N 2 1 360.502 0.874 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1cc(OC)ccn1 ZINC001087529111 1189383402 /nfs/dbraw/zinc/38/34/02/1189383402.db2.gz QGENFKAOWREUJN-RCCFBDPRSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1cc(OC)ccn1 ZINC001087529111 1189383406 /nfs/dbraw/zinc/38/34/06/1189383406.db2.gz QGENFKAOWREUJN-RCCFBDPRSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087528786 1189383583 /nfs/dbraw/zinc/38/35/83/1189383583.db2.gz AHOALIFIPOKADW-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087528786 1189383586 /nfs/dbraw/zinc/38/35/86/1189383586.db2.gz AHOALIFIPOKADW-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCN1CCNC1=O ZINC001087699870 1189778432 /nfs/dbraw/zinc/77/84/32/1189778432.db2.gz PLYTVZSASJIUAG-LUKYLMHMSA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087699870 1189778448 /nfs/dbraw/zinc/77/84/48/1189778448.db2.gz PLYTVZSASJIUAG-LUKYLMHMSA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001087699870 1189778464 /nfs/dbraw/zinc/77/84/64/1189778464.db2.gz PLYTVZSASJIUAG-LUKYLMHMSA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CCN1CCCC1=O ZINC001087834957 1189843594 /nfs/dbraw/zinc/84/35/94/1189843594.db2.gz CXFRCDHWKSUHJY-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CCN1CCCC1=O ZINC001087834957 1189843597 /nfs/dbraw/zinc/84/35/97/1189843597.db2.gz CXFRCDHWKSUHJY-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CCN1CCCC1=O ZINC001087834957 1189843598 /nfs/dbraw/zinc/84/35/98/1189843598.db2.gz CXFRCDHWKSUHJY-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CCN1CCCC1=O ZINC001087834957 1189843600 /nfs/dbraw/zinc/84/36/00/1189843600.db2.gz CXFRCDHWKSUHJY-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963795 1190007996 /nfs/dbraw/zinc/00/79/96/1190007996.db2.gz IDBLFSQQUKEUJU-SOLBZPMBSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963795 1190008000 /nfs/dbraw/zinc/00/80/00/1190008000.db2.gz IDBLFSQQUKEUJU-SOLBZPMBSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087963795 1190008003 /nfs/dbraw/zinc/00/80/03/1190008003.db2.gz IDBLFSQQUKEUJU-SOLBZPMBSA-N 2 1 362.518 0.918 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896748651 1190121392 /nfs/dbraw/zinc/12/13/92/1190121392.db2.gz KPDQJDYWUZNGGC-RCCFBDPRSA-N 2 1 366.506 0.480 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000896748651 1190121396 /nfs/dbraw/zinc/12/13/96/1190121396.db2.gz KPDQJDYWUZNGGC-RCCFBDPRSA-N 2 1 366.506 0.480 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992455 1190143482 /nfs/dbraw/zinc/14/34/82/1190143482.db2.gz WSEGPWVROCXOHG-KURKYZTESA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992455 1190143486 /nfs/dbraw/zinc/14/34/86/1190143486.db2.gz WSEGPWVROCXOHG-KURKYZTESA-N 2 1 364.534 0.833 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001087992455 1190143490 /nfs/dbraw/zinc/14/34/90/1190143490.db2.gz WSEGPWVROCXOHG-KURKYZTESA-N 2 1 364.534 0.833 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992641 1190143788 /nfs/dbraw/zinc/14/37/88/1190143788.db2.gz DLOXDHZGZLAZIY-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994769 1190148540 /nfs/dbraw/zinc/14/85/40/1190148540.db2.gz AXCDFALPZDHTLD-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994769 1190148543 /nfs/dbraw/zinc/14/85/43/1190148543.db2.gz AXCDFALPZDHTLD-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994769 1190148544 /nfs/dbraw/zinc/14/85/44/1190148544.db2.gz AXCDFALPZDHTLD-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087999669 1190170737 /nfs/dbraw/zinc/17/07/37/1190170737.db2.gz WOMWMAFNAIWPPA-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087999669 1190170739 /nfs/dbraw/zinc/17/07/39/1190170739.db2.gz WOMWMAFNAIWPPA-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)nn1 ZINC001087999669 1190170741 /nfs/dbraw/zinc/17/07/41/1190170741.db2.gz WOMWMAFNAIWPPA-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)nn1 ZINC001087999669 1190170746 /nfs/dbraw/zinc/17/07/46/1190170746.db2.gz WOMWMAFNAIWPPA-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010461 1190209146 /nfs/dbraw/zinc/20/91/46/1190209146.db2.gz VZBKLRZWEBTJKH-IXDOHACOSA-N 2 1 362.518 0.907 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088014480 1190216051 /nfs/dbraw/zinc/21/60/51/1190216051.db2.gz WPOAKYFDZXPVGS-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088014480 1190216062 /nfs/dbraw/zinc/21/60/62/1190216062.db2.gz WPOAKYFDZXPVGS-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028120 1190268056 /nfs/dbraw/zinc/26/80/56/1190268056.db2.gz WQLKZTORYUOKGY-CVEARBPZSA-N 2 1 355.442 0.816 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088090839 1190541993 /nfs/dbraw/zinc/54/19/93/1190541993.db2.gz IIYVFNIVFLTORC-SJORKVTESA-N 2 1 363.506 0.134 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105725 1190592108 /nfs/dbraw/zinc/59/21/08/1190592108.db2.gz AFPPGJJLVBANIQ-BBWFWOEESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105725 1190592114 /nfs/dbraw/zinc/59/21/14/1190592114.db2.gz AFPPGJJLVBANIQ-BBWFWOEESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)C1 ZINC001088105725 1190592121 /nfs/dbraw/zinc/59/21/21/1190592121.db2.gz AFPPGJJLVBANIQ-BBWFWOEESA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)CC[C@@H]3C2)CC1 ZINC001088129548 1190628142 /nfs/dbraw/zinc/62/81/42/1190628142.db2.gz TYJPMCHMVLQIPV-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130453 1190631264 /nfs/dbraw/zinc/63/12/64/1190631264.db2.gz OGUIGHQTHLEJTB-SJORKVTESA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130453 1190631274 /nfs/dbraw/zinc/63/12/74/1190631274.db2.gz OGUIGHQTHLEJTB-SJORKVTESA-N 2 1 360.506 0.827 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130468 1190631616 /nfs/dbraw/zinc/63/16/16/1190631616.db2.gz ORLDALRROURVCF-JQHSSLGASA-N 2 1 364.534 0.975 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)CC1 ZINC001088150647 1190674402 /nfs/dbraw/zinc/67/44/02/1190674402.db2.gz ONTQQSZGCFPGBZ-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCn3cncn3)C2)O1 ZINC001088334138 1190749483 /nfs/dbraw/zinc/74/94/83/1190749483.db2.gz APWHFPMVPXOLPK-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCn3cncn3)C2)O1 ZINC001088334138 1190749488 /nfs/dbraw/zinc/74/94/88/1190749488.db2.gz APWHFPMVPXOLPK-IXDOHACOSA-N 2 1 364.494 0.358 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000985667350 1190760134 /nfs/dbraw/zinc/76/01/34/1190760134.db2.gz QBKOMWBKDWNMFE-HZPDHXFCSA-N 2 1 359.474 0.679 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001075876555 1190795983 /nfs/dbraw/zinc/79/59/83/1190795983.db2.gz RAZSBXUOKYMBOP-OKZBNKHCSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001075876555 1190795986 /nfs/dbraw/zinc/79/59/86/1190795986.db2.gz RAZSBXUOKYMBOP-OKZBNKHCSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001075876555 1190795990 /nfs/dbraw/zinc/79/59/90/1190795990.db2.gz RAZSBXUOKYMBOP-OKZBNKHCSA-N 2 1 360.506 0.789 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986127211 1190899520 /nfs/dbraw/zinc/89/95/20/1190899520.db2.gz LRVBBVFYFYITFF-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986127211 1190899524 /nfs/dbraw/zinc/89/95/24/1190899524.db2.gz LRVBBVFYFYITFF-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001272021040 1190924655 /nfs/dbraw/zinc/92/46/55/1190924655.db2.gz ADQXATQTUNNADO-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001272021040 1190924662 /nfs/dbraw/zinc/92/46/62/1190924662.db2.gz ADQXATQTUNNADO-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1 ZINC000986337233 1190951990 /nfs/dbraw/zinc/95/19/90/1190951990.db2.gz DMTBIEDNIWMPDC-SQNIBIBYSA-N 2 1 362.518 0.587 20 0 FCADMP Cc1cncn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986402894 1190974162 /nfs/dbraw/zinc/97/41/62/1190974162.db2.gz GHWIGOBOXHTNQX-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000986402894 1190974168 /nfs/dbraw/zinc/97/41/68/1190974168.db2.gz GHWIGOBOXHTNQX-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC000986402894 1190974171 /nfs/dbraw/zinc/97/41/71/1190974171.db2.gz GHWIGOBOXHTNQX-IKGGRYGDSA-N 2 1 359.474 0.450 20 0 FCADMP C[C@@H](c1nnnn1C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029965866 1191039321 /nfs/dbraw/zinc/03/93/21/1191039321.db2.gz CWTUYHRYPDMPSA-IJEWVQPXSA-N 2 1 363.510 0.782 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001029965866 1191039326 /nfs/dbraw/zinc/03/93/26/1191039326.db2.gz CWTUYHRYPDMPSA-IJEWVQPXSA-N 2 1 363.510 0.782 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001029965866 1191039331 /nfs/dbraw/zinc/03/93/31/1191039331.db2.gz CWTUYHRYPDMPSA-IJEWVQPXSA-N 2 1 363.510 0.782 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029965866 1191039334 /nfs/dbraw/zinc/03/93/34/1191039334.db2.gz CWTUYHRYPDMPSA-IJEWVQPXSA-N 2 1 363.510 0.782 20 0 FCADMP C[C@@H](c1nnnn1C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029965866 1191039337 /nfs/dbraw/zinc/03/93/37/1191039337.db2.gz CWTUYHRYPDMPSA-IJEWVQPXSA-N 2 1 363.510 0.782 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2C1 ZINC000986576868 1191044518 /nfs/dbraw/zinc/04/45/18/1191044518.db2.gz KYSYUMRUFJJXLN-XHSDSOJGSA-N 2 1 359.474 0.743 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001075886267 1191117412 /nfs/dbraw/zinc/11/74/12/1191117412.db2.gz KDMHBXIKTLXWHI-GOEBONIOSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001075886267 1191117414 /nfs/dbraw/zinc/11/74/14/1191117414.db2.gz KDMHBXIKTLXWHI-GOEBONIOSA-N 2 1 362.474 0.152 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059858796 1191156339 /nfs/dbraw/zinc/15/63/39/1191156339.db2.gz ZKTLKDOEVSMVHM-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059858796 1191156341 /nfs/dbraw/zinc/15/63/41/1191156341.db2.gz ZKTLKDOEVSMVHM-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059858796 1191156342 /nfs/dbraw/zinc/15/63/42/1191156342.db2.gz ZKTLKDOEVSMVHM-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059858796 1191156344 /nfs/dbraw/zinc/15/63/44/1191156344.db2.gz ZKTLKDOEVSMVHM-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333901 1224154688 /nfs/dbraw/zinc/15/46/88/1224154688.db2.gz YVZNFJCHZJBBOU-KZIZELGASA-N 2 1 363.502 0.951 20 0 FCADMP CCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333901 1224154690 /nfs/dbraw/zinc/15/46/90/1224154690.db2.gz YVZNFJCHZJBBOU-KZIZELGASA-N 2 1 363.502 0.951 20 0 FCADMP CCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218333901 1224154692 /nfs/dbraw/zinc/15/46/92/1224154692.db2.gz YVZNFJCHZJBBOU-KZIZELGASA-N 2 1 363.502 0.951 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658725 1193724321 /nfs/dbraw/zinc/72/43/21/1193724321.db2.gz QRCWPBBCZSWSFP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658725 1193724328 /nfs/dbraw/zinc/72/43/28/1193724328.db2.gz QRCWPBBCZSWSFP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658725 1193724335 /nfs/dbraw/zinc/72/43/35/1193724335.db2.gz QRCWPBBCZSWSFP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550658725 1193724339 /nfs/dbraw/zinc/72/43/39/1193724339.db2.gz QRCWPBBCZSWSFP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664863 1193728426 /nfs/dbraw/zinc/72/84/26/1193728426.db2.gz ZXXLOQNFCZSVAN-HKUYNNGSSA-N 2 1 370.497 0.714 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664863 1193728431 /nfs/dbraw/zinc/72/84/31/1193728431.db2.gz ZXXLOQNFCZSVAN-HKUYNNGSSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664863 1193728436 /nfs/dbraw/zinc/72/84/36/1193728436.db2.gz ZXXLOQNFCZSVAN-HKUYNNGSSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664863 1193728442 /nfs/dbraw/zinc/72/84/42/1193728442.db2.gz ZXXLOQNFCZSVAN-HKUYNNGSSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550780617 1193787313 /nfs/dbraw/zinc/78/73/13/1193787313.db2.gz IMSXQCPJLSLUFM-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083466158 1193818283 /nfs/dbraw/zinc/81/82/83/1193818283.db2.gz IQMSXJFZBBHOTQ-KSZLIROESA-N 2 1 361.490 0.003 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083466158 1193818285 /nfs/dbraw/zinc/81/82/85/1193818285.db2.gz IQMSXJFZBBHOTQ-KSZLIROESA-N 2 1 361.490 0.003 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000551151919 1193835989 /nfs/dbraw/zinc/83/59/89/1193835989.db2.gz LDXHGLMECWJUGL-JKSUJKDBSA-N 2 1 369.554 0.079 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218550606 1224171623 /nfs/dbraw/zinc/17/16/23/1224171623.db2.gz GNTLEQILLBBXLL-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001218555950 1224172846 /nfs/dbraw/zinc/17/28/46/1224172846.db2.gz NPUFPSBZFIZBAW-SJORKVTESA-N 2 1 372.517 0.846 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCCC1 ZINC000551485633 1193860709 /nfs/dbraw/zinc/86/07/09/1193860709.db2.gz XOWJHISHWSLXSK-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCCC1 ZINC000551485633 1193860711 /nfs/dbraw/zinc/86/07/11/1193860711.db2.gz XOWJHISHWSLXSK-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)n1 ZINC001083470409 1193867463 /nfs/dbraw/zinc/86/74/63/1193867463.db2.gz QEXWADFGUOWPDV-SJORKVTESA-N 2 1 363.506 0.656 20 0 FCADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757283 1193891929 /nfs/dbraw/zinc/89/19/29/1193891929.db2.gz QUOOSVVSYHJPAA-JTWJYDLWSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757283 1193891930 /nfs/dbraw/zinc/89/19/30/1193891930.db2.gz QUOOSVVSYHJPAA-JTWJYDLWSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757283 1193891931 /nfs/dbraw/zinc/89/19/31/1193891931.db2.gz QUOOSVVSYHJPAA-JTWJYDLWSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757283 1193891932 /nfs/dbraw/zinc/89/19/32/1193891932.db2.gz QUOOSVVSYHJPAA-JTWJYDLWSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1ccccc1OCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473203 1193903148 /nfs/dbraw/zinc/90/31/48/1193903148.db2.gz OFTHRXWHZUZRCN-TVFCKZIOSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473203 1193903155 /nfs/dbraw/zinc/90/31/55/1193903155.db2.gz OFTHRXWHZUZRCN-TVFCKZIOSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473203 1193903161 /nfs/dbraw/zinc/90/31/61/1193903161.db2.gz OFTHRXWHZUZRCN-TVFCKZIOSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473203 1193903166 /nfs/dbraw/zinc/90/31/66/1193903166.db2.gz OFTHRXWHZUZRCN-TVFCKZIOSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473203 1193903168 /nfs/dbraw/zinc/90/31/68/1193903168.db2.gz OFTHRXWHZUZRCN-TVFCKZIOSA-N 2 1 361.486 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474888 1193906596 /nfs/dbraw/zinc/90/65/96/1193906596.db2.gz FOMOIWKFNYNCPK-MLHJIOFPSA-N 2 1 363.506 0.337 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474888 1193906601 /nfs/dbraw/zinc/90/66/01/1193906601.db2.gz FOMOIWKFNYNCPK-MLHJIOFPSA-N 2 1 363.506 0.337 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474888 1193906607 /nfs/dbraw/zinc/90/66/07/1193906607.db2.gz FOMOIWKFNYNCPK-MLHJIOFPSA-N 2 1 363.506 0.337 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000552539064 1193938498 /nfs/dbraw/zinc/93/84/98/1193938498.db2.gz WLOVDJGOFIMMHI-SJORKVTESA-N 2 1 368.522 0.309 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552708194 1193948619 /nfs/dbraw/zinc/94/86/19/1193948619.db2.gz WUFXZDNGALJIBR-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552708194 1193948622 /nfs/dbraw/zinc/94/86/22/1193948622.db2.gz WUFXZDNGALJIBR-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000552927765 1193959156 /nfs/dbraw/zinc/95/91/56/1193959156.db2.gz DAXUGDHVFDZUNU-HNNXBMFYSA-N 2 1 366.506 0.370 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000553268212 1193983092 /nfs/dbraw/zinc/98/30/92/1193983092.db2.gz BZHCYBGTOIJMHL-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353884 1193991437 /nfs/dbraw/zinc/99/14/37/1193991437.db2.gz GWOWLTVNUBLSHP-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353884 1193991441 /nfs/dbraw/zinc/99/14/41/1193991441.db2.gz GWOWLTVNUBLSHP-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353884 1193991448 /nfs/dbraw/zinc/99/14/48/1193991448.db2.gz GWOWLTVNUBLSHP-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000553353884 1193991459 /nfs/dbraw/zinc/99/14/59/1193991459.db2.gz GWOWLTVNUBLSHP-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000553367662 1193993119 /nfs/dbraw/zinc/99/31/19/1193993119.db2.gz WLXOZZQSVNTRRV-HNNXBMFYSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000553367662 1193993122 /nfs/dbraw/zinc/99/31/22/1193993122.db2.gz WLXOZZQSVNTRRV-HNNXBMFYSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624878 1224185903 /nfs/dbraw/zinc/18/59/03/1224185903.db2.gz XCXKATOKLLXEDD-FGTMMUONSA-N 2 1 371.522 0.681 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]21)[NH+](CC)CC ZINC001218624878 1224185906 /nfs/dbraw/zinc/18/59/06/1224185906.db2.gz XCXKATOKLLXEDD-FGTMMUONSA-N 2 1 371.522 0.681 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645095 1224187666 /nfs/dbraw/zinc/18/76/66/1224187666.db2.gz CQEFVBICHUZNJO-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645095 1224187671 /nfs/dbraw/zinc/18/76/71/1224187671.db2.gz CQEFVBICHUZNJO-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]3C2)C1=O ZINC001218645095 1224187676 /nfs/dbraw/zinc/18/76/76/1224187676.db2.gz CQEFVBICHUZNJO-OWCLPIDISA-N 2 1 366.506 0.107 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650991 1224191147 /nfs/dbraw/zinc/19/11/47/1224191147.db2.gz RFJYOVJFCKBGLV-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521823 1194137160 /nfs/dbraw/zinc/13/71/60/1194137160.db2.gz IZGOCWODENRUPK-NXHRZFHOSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521823 1194137163 /nfs/dbraw/zinc/13/71/63/1194137163.db2.gz IZGOCWODENRUPK-NXHRZFHOSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521823 1194137166 /nfs/dbraw/zinc/13/71/66/1194137166.db2.gz IZGOCWODENRUPK-NXHRZFHOSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521823 1194137169 /nfs/dbraw/zinc/13/71/69/1194137169.db2.gz IZGOCWODENRUPK-NXHRZFHOSA-N 2 1 363.506 0.368 20 0 FCADMP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076029407 1194256262 /nfs/dbraw/zinc/25/62/62/1194256262.db2.gz LLJRVPXUWBDEAF-IAOVAPTHSA-N 2 1 366.425 0.302 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076045725 1194272123 /nfs/dbraw/zinc/27/21/23/1194272123.db2.gz NIODDWLIXSWRFC-DLBZAZTESA-N 2 1 355.442 0.623 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076045725 1194272127 /nfs/dbraw/zinc/27/21/27/1194272127.db2.gz NIODDWLIXSWRFC-DLBZAZTESA-N 2 1 355.442 0.623 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001691626839 1194322721 /nfs/dbraw/zinc/32/27/21/1194322721.db2.gz PVRPKLUYPPJQFZ-YQQAZPJKSA-N 2 1 350.507 0.729 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218742177 1224208338 /nfs/dbraw/zinc/20/83/38/1224208338.db2.gz AOJPINYWQCCRLG-INIZCTEOSA-N 2 1 364.409 0.892 20 0 FCADMP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1)C1CC1 ZINC001076240197 1194363262 /nfs/dbraw/zinc/36/32/62/1194363262.db2.gz OCZLNYQJOPJPBJ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1)C1CC1 ZINC001076240197 1194363264 /nfs/dbraw/zinc/36/32/64/1194363264.db2.gz OCZLNYQJOPJPBJ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1)C1CC1 ZINC001076240197 1194363267 /nfs/dbraw/zinc/36/32/67/1194363267.db2.gz OCZLNYQJOPJPBJ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1)C1CC1 ZINC001076240197 1194363270 /nfs/dbraw/zinc/36/32/70/1194363270.db2.gz OCZLNYQJOPJPBJ-DOTOQJQBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001076323688 1194396798 /nfs/dbraw/zinc/39/67/98/1194396798.db2.gz DOJSMUUQOQNXDZ-DLBZAZTESA-N 2 1 363.506 0.276 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365810 1194420466 /nfs/dbraw/zinc/42/04/66/1194420466.db2.gz NWBLOOSLUDMQKF-FUHWJXTLSA-N 2 1 361.490 0.484 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365810 1194420471 /nfs/dbraw/zinc/42/04/71/1194420471.db2.gz NWBLOOSLUDMQKF-FUHWJXTLSA-N 2 1 361.490 0.484 20 0 FCADMP COC(=O)c1cc(-c2ccn(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)c(=N)c2N)ccc1C ZINC001218771837 1224217931 /nfs/dbraw/zinc/21/79/31/1224217931.db2.gz WTPBUTAMKAAWAF-DOMZBBRYSA-N 2 1 369.425 0.641 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001076398753 1194455591 /nfs/dbraw/zinc/45/55/91/1194455591.db2.gz DDCYRAYNAOOBAX-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276795498 1224218391 /nfs/dbraw/zinc/21/83/91/1224218391.db2.gz LGIXMJFMPXOYLE-APWZRJJASA-N 2 1 363.506 0.557 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789100 1224219557 /nfs/dbraw/zinc/21/95/57/1224219557.db2.gz ACRCTHBDKOJOJM-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789100 1224219571 /nfs/dbraw/zinc/21/95/71/1224219571.db2.gz ACRCTHBDKOJOJM-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001276796119 1224228102 /nfs/dbraw/zinc/22/81/02/1224228102.db2.gz WTVRALCMDWJFRO-ZJIFWQFVSA-N 2 1 366.506 0.079 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001276796119 1224228110 /nfs/dbraw/zinc/22/81/10/1224228110.db2.gz WTVRALCMDWJFRO-ZJIFWQFVSA-N 2 1 366.506 0.079 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)COC(C)(C)C)C2)C1=O ZINC001276798163 1224249330 /nfs/dbraw/zinc/24/93/30/1224249330.db2.gz BBRJVZPYZTXYHU-KXBFYZLASA-N 2 1 369.506 0.565 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)C1=O ZINC001276798157 1224249980 /nfs/dbraw/zinc/24/99/80/1224249980.db2.gz BBRJVZPYZTXYHU-DNVCBOLYSA-N 2 1 369.506 0.565 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)cn1 ZINC001218919646 1224259576 /nfs/dbraw/zinc/25/95/76/1224259576.db2.gz XFFYTHQCMWPFHD-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)CC[N@H+](C)CC)[C@H]3C2)cn1 ZINC001218919646 1224259583 /nfs/dbraw/zinc/25/95/83/1224259583.db2.gz XFFYTHQCMWPFHD-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)CC[N@@H+](C)CC)[C@H]3C2)cn1 ZINC001218919646 1224259590 /nfs/dbraw/zinc/25/95/90/1224259590.db2.gz XFFYTHQCMWPFHD-ZWKOTPCHSA-N 2 1 363.506 0.699 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002951 1195137861 /nfs/dbraw/zinc/13/78/61/1195137861.db2.gz MZIFCTTWAJPJJI-GUDVDZBRSA-N 2 1 365.518 0.696 20 0 FCADMP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015347 1195144701 /nfs/dbraw/zinc/14/47/01/1195144701.db2.gz PPBHZSMWVOSHRM-MKXGPGLRSA-N 2 1 367.534 0.941 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014167 1195149261 /nfs/dbraw/zinc/14/92/61/1195149261.db2.gz GRWPOYNTESEWPI-KFKAGJAMSA-N 2 1 371.485 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)CC[N@@H+]1C ZINC001077027300 1195156700 /nfs/dbraw/zinc/15/67/00/1195156700.db2.gz HFRVSORLUVEGIY-OKDNKWQNSA-N 2 1 373.457 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)CC[N@H+]1C ZINC001077027300 1195156714 /nfs/dbraw/zinc/15/67/14/1195156714.db2.gz HFRVSORLUVEGIY-OKDNKWQNSA-N 2 1 373.457 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC[NH+]1C ZINC001077027300 1195156723 /nfs/dbraw/zinc/15/67/23/1195156723.db2.gz HFRVSORLUVEGIY-OKDNKWQNSA-N 2 1 373.457 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC[NH+]1C ZINC001077027300 1195156727 /nfs/dbraw/zinc/15/67/27/1195156727.db2.gz HFRVSORLUVEGIY-OKDNKWQNSA-N 2 1 373.457 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@H]2O)CC[N@H+]1C ZINC001077023531 1195159623 /nfs/dbraw/zinc/15/96/23/1195159623.db2.gz FHNKVXOQQFCURK-SJFSSXKUSA-N 2 1 373.497 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@H]2O)CC[NH+]1C ZINC001077023531 1195159628 /nfs/dbraw/zinc/15/96/28/1195159628.db2.gz FHNKVXOQQFCURK-SJFSSXKUSA-N 2 1 373.497 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]2O)CC[NH+]1C ZINC001077023531 1195159632 /nfs/dbraw/zinc/15/96/32/1195159632.db2.gz FHNKVXOQQFCURK-SJFSSXKUSA-N 2 1 373.497 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC[N@@H+]1C ZINC001077023688 1195160405 /nfs/dbraw/zinc/16/04/05/1195160405.db2.gz NYSBETFVLSSUOA-BYNBJNPRSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC[N@H+]1C ZINC001077023688 1195160408 /nfs/dbraw/zinc/16/04/08/1195160408.db2.gz NYSBETFVLSSUOA-BYNBJNPRSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC[NH+]1C ZINC001077023688 1195160413 /nfs/dbraw/zinc/16/04/13/1195160413.db2.gz NYSBETFVLSSUOA-BYNBJNPRSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)CC[NH+]1C ZINC001077023688 1195160417 /nfs/dbraw/zinc/16/04/17/1195160417.db2.gz NYSBETFVLSSUOA-BYNBJNPRSA-N 2 1 359.470 0.718 20 0 FCADMP C[C@@H](CCNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077221596 1195330735 /nfs/dbraw/zinc/33/07/35/1195330735.db2.gz FAJVQRMHPXQLFJ-GZBFAFLISA-N 2 1 365.478 0.701 20 0 FCADMP C[C@@H](CCNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077221596 1195330739 /nfs/dbraw/zinc/33/07/39/1195330739.db2.gz FAJVQRMHPXQLFJ-GZBFAFLISA-N 2 1 365.478 0.701 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)O1 ZINC001077221123 1195330908 /nfs/dbraw/zinc/33/09/08/1195330908.db2.gz BUOVNWDISNIBOX-VDHUWJSZSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)O1 ZINC001077221123 1195330913 /nfs/dbraw/zinc/33/09/13/1195330913.db2.gz BUOVNWDISNIBOX-VDHUWJSZSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2O)O1 ZINC001077221123 1195330916 /nfs/dbraw/zinc/33/09/16/1195330916.db2.gz BUOVNWDISNIBOX-VDHUWJSZSA-N 2 1 365.518 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)O1 ZINC001077221123 1195330921 /nfs/dbraw/zinc/33/09/21/1195330921.db2.gz BUOVNWDISNIBOX-VDHUWJSZSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001276800468 1224275141 /nfs/dbraw/zinc/27/51/41/1224275141.db2.gz SGFPWNPOGQWKBJ-QFBILLFUSA-N 2 1 364.490 0.984 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001077395809 1195493331 /nfs/dbraw/zinc/49/33/31/1195493331.db2.gz WUCWXFRXQMARFJ-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001077395809 1195493335 /nfs/dbraw/zinc/49/33/35/1195493335.db2.gz WUCWXFRXQMARFJ-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006811 1224287475 /nfs/dbraw/zinc/28/74/75/1224287475.db2.gz ZBNTTZPMGHEZMK-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006811 1224287484 /nfs/dbraw/zinc/28/74/84/1224287484.db2.gz ZBNTTZPMGHEZMK-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219006811 1224287488 /nfs/dbraw/zinc/28/74/88/1224287488.db2.gz ZBNTTZPMGHEZMK-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000905109553 1195575317 /nfs/dbraw/zinc/57/53/17/1195575317.db2.gz HUBWQQDNAROYRY-QFBILLFUSA-N 2 1 369.506 0.615 20 0 FCADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347242 1195581666 /nfs/dbraw/zinc/58/16/66/1195581666.db2.gz XKDTVJMBWKRKTO-HKUYNNGSSA-N 2 1 365.474 0.662 20 0 FCADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905363208 1195584085 /nfs/dbraw/zinc/58/40/85/1195584085.db2.gz XFIAGBCXGMOSRF-LWYYNNOASA-N 2 1 364.486 0.361 20 0 FCADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905363208 1195584091 /nfs/dbraw/zinc/58/40/91/1195584091.db2.gz XFIAGBCXGMOSRF-LWYYNNOASA-N 2 1 364.486 0.361 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591757 1195593462 /nfs/dbraw/zinc/59/34/62/1195593462.db2.gz VJZPGDNRPBUIOI-MSOLQXFVSA-N 2 1 358.442 0.987 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591757 1195593467 /nfs/dbraw/zinc/59/34/67/1195593467.db2.gz VJZPGDNRPBUIOI-MSOLQXFVSA-N 2 1 358.442 0.987 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001083593912 1195605567 /nfs/dbraw/zinc/60/55/67/1195605567.db2.gz DKSHIDLTNKPAKI-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593912 1195605570 /nfs/dbraw/zinc/60/55/70/1195605570.db2.gz DKSHIDLTNKPAKI-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593912 1195605579 /nfs/dbraw/zinc/60/55/79/1195605579.db2.gz DKSHIDLTNKPAKI-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593912 1195605582 /nfs/dbraw/zinc/60/55/82/1195605582.db2.gz DKSHIDLTNKPAKI-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083593912 1195605590 /nfs/dbraw/zinc/60/55/90/1195605590.db2.gz DKSHIDLTNKPAKI-KURKYZTESA-N 2 1 363.506 0.244 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccn1CCN1CCOCC1 ZINC000906459105 1195631302 /nfs/dbraw/zinc/63/13/02/1195631302.db2.gz JNPIPIRVQSEDCT-SJORKVTESA-N 2 1 362.474 0.413 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906644470 1195641505 /nfs/dbraw/zinc/64/15/05/1195641505.db2.gz BHTHRRSEVOZYGX-OAHLLOKOSA-N 2 1 361.490 0.474 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000907077672 1195678649 /nfs/dbraw/zinc/67/86/49/1195678649.db2.gz YGGHWOSBMNFIQB-UHFFFAOYSA-N 2 1 365.566 0.497 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000907736183 1195710103 /nfs/dbraw/zinc/71/01/03/1195710103.db2.gz CFVZSYZJRYDNED-FQEVSTJZSA-N 2 1 374.529 0.887 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000907736183 1195710107 /nfs/dbraw/zinc/71/01/07/1195710107.db2.gz CFVZSYZJRYDNED-FQEVSTJZSA-N 2 1 374.529 0.887 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000907736183 1195710117 /nfs/dbraw/zinc/71/01/17/1195710117.db2.gz CFVZSYZJRYDNED-FQEVSTJZSA-N 2 1 374.529 0.887 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1=O ZINC000908240047 1195735308 /nfs/dbraw/zinc/73/53/08/1195735308.db2.gz VXPCLRQZHHNLSL-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633015 1195805846 /nfs/dbraw/zinc/80/58/46/1195805846.db2.gz BTNYDEQFKAWUSI-MSOLQXFVSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633363 1195806567 /nfs/dbraw/zinc/80/65/67/1195806567.db2.gz UKSHAEMLEYTJHV-QGTPRVQTSA-N 2 1 371.441 0.469 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)(N2CCOCC2)CC1 ZINC000910406481 1195814168 /nfs/dbraw/zinc/81/41/68/1195814168.db2.gz SNBXCNPROAQHMN-QZTJIDSGSA-N 2 1 364.534 0.916 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)(N2CCOCC2)CC1 ZINC000910406482 1195814236 /nfs/dbraw/zinc/81/42/36/1195814236.db2.gz SNBXCNPROAQHMN-ROUUACIJSA-N 2 1 364.534 0.916 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1 ZINC000910412757 1195814722 /nfs/dbraw/zinc/81/47/22/1195814722.db2.gz CKQYVMRNLVFQQQ-KRWDZBQOSA-N 2 1 368.522 0.356 20 0 FCADMP COC(=O)[C@H]1CN(C)CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000910412757 1195814726 /nfs/dbraw/zinc/81/47/26/1195814726.db2.gz CKQYVMRNLVFQQQ-KRWDZBQOSA-N 2 1 368.522 0.356 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C2)C1 ZINC000910844020 1195849103 /nfs/dbraw/zinc/84/91/03/1195849103.db2.gz VOFVKCCCJPBDTM-FQEVSTJZSA-N 2 1 371.485 0.721 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000910952120 1195868569 /nfs/dbraw/zinc/86/85/69/1195868569.db2.gz HLUCLCXRYUEJCF-MRXNPFEDSA-N 2 1 366.506 0.335 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CC3)c2)CCO1 ZINC000911061814 1195884508 /nfs/dbraw/zinc/88/45/08/1195884508.db2.gz SNXXXNDNRQKOTN-AWEZNQCLSA-N 2 1 360.458 0.131 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CC3)c2)CCO1 ZINC000911061814 1195884509 /nfs/dbraw/zinc/88/45/09/1195884509.db2.gz SNXXXNDNRQKOTN-AWEZNQCLSA-N 2 1 360.458 0.131 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000911127822 1195893552 /nfs/dbraw/zinc/89/35/52/1195893552.db2.gz ZPSYRZDDMUCYCI-AHCXZYCDSA-N 2 1 358.486 0.819 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911165212 1195902816 /nfs/dbraw/zinc/90/28/16/1195902816.db2.gz OPERDMAMQLJXIJ-IRXDYDNUSA-N 2 1 374.485 0.390 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911165212 1195902822 /nfs/dbraw/zinc/90/28/22/1195902822.db2.gz OPERDMAMQLJXIJ-IRXDYDNUSA-N 2 1 374.485 0.390 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cn1 ZINC001083644613 1195939398 /nfs/dbraw/zinc/93/93/98/1195939398.db2.gz ODQUXDXINMYOST-SJORKVTESA-N 2 1 354.414 0.085 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cn1 ZINC001083644613 1195939401 /nfs/dbraw/zinc/93/94/01/1195939401.db2.gz ODQUXDXINMYOST-SJORKVTESA-N 2 1 354.414 0.085 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054964 1224324477 /nfs/dbraw/zinc/32/44/77/1224324477.db2.gz PVWWKWZMJODYNW-OWCLPIDISA-N 2 1 362.478 0.017 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054964 1224324480 /nfs/dbraw/zinc/32/44/80/1224324480.db2.gz PVWWKWZMJODYNW-OWCLPIDISA-N 2 1 362.478 0.017 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054964 1224324488 /nfs/dbraw/zinc/32/44/88/1224324488.db2.gz PVWWKWZMJODYNW-OWCLPIDISA-N 2 1 362.478 0.017 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001219054964 1224324496 /nfs/dbraw/zinc/32/44/96/1224324496.db2.gz PVWWKWZMJODYNW-OWCLPIDISA-N 2 1 362.478 0.017 20 0 FCADMP [NH3+]CCN1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC000911634896 1196306182 /nfs/dbraw/zinc/30/61/82/1196306182.db2.gz FMIFXSLXHYNLIF-SFHVURJKSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@@H]2N(CC(=O)N2CCC2)CC3)O1 ZINC000991363927 1196327527 /nfs/dbraw/zinc/32/75/27/1196327527.db2.gz ZXIUKJSIFAEEFR-JEWRLFTDSA-N 2 1 364.490 0.051 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654854 1196351275 /nfs/dbraw/zinc/35/12/75/1196351275.db2.gz JMCCFIMTVRTZBB-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654854 1196351279 /nfs/dbraw/zinc/35/12/79/1196351279.db2.gz JMCCFIMTVRTZBB-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654854 1196351285 /nfs/dbraw/zinc/35/12/85/1196351285.db2.gz JMCCFIMTVRTZBB-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCO[C@H](C)C2)CC1=O ZINC000591644080 1196522133 /nfs/dbraw/zinc/52/21/33/1196522133.db2.gz PRIGNXXPNVZKBR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)O1 ZINC000593350861 1196625815 /nfs/dbraw/zinc/62/58/15/1196625815.db2.gz XQMPYLJIMCTNOG-DZKIICNBSA-N 2 1 368.478 0.127 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000593350861 1196625822 /nfs/dbraw/zinc/62/58/22/1196625822.db2.gz XQMPYLJIMCTNOG-DZKIICNBSA-N 2 1 368.478 0.127 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896490 1196670178 /nfs/dbraw/zinc/67/01/78/1196670178.db2.gz JAQMBWLWJITTCD-YVSFHVDLSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896490 1196670189 /nfs/dbraw/zinc/67/01/89/1196670189.db2.gz JAQMBWLWJITTCD-YVSFHVDLSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896490 1196670197 /nfs/dbraw/zinc/67/01/97/1196670197.db2.gz JAQMBWLWJITTCD-YVSFHVDLSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593896490 1196670202 /nfs/dbraw/zinc/67/02/02/1196670202.db2.gz JAQMBWLWJITTCD-YVSFHVDLSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000594102372 1196691186 /nfs/dbraw/zinc/69/11/86/1196691186.db2.gz MYGMTYPCAWWQPP-BRWVUGGUSA-N 2 1 367.538 0.993 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945050 1196748507 /nfs/dbraw/zinc/74/85/07/1196748507.db2.gz JETMHOLLYDFPKF-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)no1 ZINC001105946051 1196749661 /nfs/dbraw/zinc/74/96/61/1196749661.db2.gz JSNLQJKHZPUWPC-BPLDGKMQSA-N 2 1 363.462 0.700 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1CCn1cccn1 ZINC001088912899 1196834019 /nfs/dbraw/zinc/83/40/19/1196834019.db2.gz XBXWRUAJVKCZEP-WBVHZDCISA-N 2 1 359.478 0.534 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193438 1224383362 /nfs/dbraw/zinc/38/33/62/1224383362.db2.gz CDSSTGFORPOJLE-UHFFFAOYSA-N 3 1 373.423 0.988 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001746921825 1197098325 /nfs/dbraw/zinc/09/83/25/1197098325.db2.gz BTTFKKLYVLVXJG-ARFHVFGLSA-N 2 1 361.490 0.782 20 0 FCADMP C[C@H]1CN(CCCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H](C)O1 ZINC000913881630 1197149092 /nfs/dbraw/zinc/14/90/92/1197149092.db2.gz DNNFREFRSKYFDC-ULQDDVLXSA-N 2 1 359.536 0.891 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@]3(C)C2)C1 ZINC000992933312 1197611759 /nfs/dbraw/zinc/61/17/59/1197611759.db2.gz BYBDPHVZAWRKSR-HLIPFELVSA-N 2 1 362.518 0.587 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1)[NH+](C)C ZINC000992935778 1197614496 /nfs/dbraw/zinc/61/44/96/1197614496.db2.gz RKGPWOLESCHCFG-TXPKVOOTSA-N 2 1 361.490 0.839 20 0 FCADMP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245522 1197779495 /nfs/dbraw/zinc/77/94/95/1197779495.db2.gz CWKHAYMNNRDRCZ-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001085275162 1197782704 /nfs/dbraw/zinc/78/27/04/1197782704.db2.gz RUMLQLMAXXUKLQ-BZUAXINKSA-N 2 1 357.462 0.988 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106249181 1197784904 /nfs/dbraw/zinc/78/49/04/1197784904.db2.gz BOSUBSMFGDFQBA-BZUAXINKSA-N 2 1 357.462 0.736 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106250224 1197786988 /nfs/dbraw/zinc/78/69/88/1197786988.db2.gz YIEJHIPFOWOYNM-IIAWOOMASA-N 2 1 359.474 0.723 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085320087 1197816819 /nfs/dbraw/zinc/81/68/19/1197816819.db2.gz FRIAXXNJLWCTMW-HZPDHXFCSA-N 2 1 363.510 0.942 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085331829 1197824386 /nfs/dbraw/zinc/82/43/86/1197824386.db2.gz BAPWUBMKLKEDCF-BZUAXINKSA-N 2 1 364.490 0.637 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066243601 1197842454 /nfs/dbraw/zinc/84/24/54/1197842454.db2.gz XHZLEMDZJJSMQD-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066243601 1197842455 /nfs/dbraw/zinc/84/24/55/1197842455.db2.gz XHZLEMDZJJSMQD-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066243601 1197842456 /nfs/dbraw/zinc/84/24/56/1197842456.db2.gz XHZLEMDZJJSMQD-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066243601 1197842460 /nfs/dbraw/zinc/84/24/60/1197842460.db2.gz XHZLEMDZJJSMQD-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000993134637 1197856304 /nfs/dbraw/zinc/85/63/04/1197856304.db2.gz KBAIZBXBZGQMSP-TXPKVOOTSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000993134637 1197856306 /nfs/dbraw/zinc/85/63/06/1197856306.db2.gz KBAIZBXBZGQMSP-TXPKVOOTSA-N 2 1 359.474 0.450 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085393863 1197865919 /nfs/dbraw/zinc/86/59/19/1197865919.db2.gz NBTMOPFDULHFBB-GVDBMIGSSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085423366 1197888095 /nfs/dbraw/zinc/88/80/95/1197888095.db2.gz MFFXQDFJBORWSV-HUUCEWRRSA-N 2 1 362.478 0.421 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106433177 1197923437 /nfs/dbraw/zinc/92/34/37/1197923437.db2.gz DLSMKNDFRMDNLU-UKRRQHHQSA-N 2 1 361.446 0.025 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577177 1198020929 /nfs/dbraw/zinc/02/09/29/1198020929.db2.gz DEHKSDXQFUEXHX-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577177 1198020932 /nfs/dbraw/zinc/02/09/32/1198020932.db2.gz DEHKSDXQFUEXHX-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322881 1198025885 /nfs/dbraw/zinc/02/58/85/1198025885.db2.gz ZQWJFALNNPYABR-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322881 1198025893 /nfs/dbraw/zinc/02/58/93/1198025893.db2.gz ZQWJFALNNPYABR-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001006279397 1198107972 /nfs/dbraw/zinc/10/79/72/1198107972.db2.gz HZHXWSADFQCMOT-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001006279397 1198107986 /nfs/dbraw/zinc/10/79/86/1198107986.db2.gz HZHXWSADFQCMOT-SVGFKBNWSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC001086090478 1198155481 /nfs/dbraw/zinc/15/54/81/1198155481.db2.gz AZKDPSMFKCVULE-DMHIMHRUSA-N 2 1 362.518 0.964 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120478 1198181258 /nfs/dbraw/zinc/18/12/58/1198181258.db2.gz ALYXPVPKQVZAIC-TXCZRRACSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ncccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120478 1198181271 /nfs/dbraw/zinc/18/12/71/1198181271.db2.gz ALYXPVPKQVZAIC-TXCZRRACSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743980428 1198302650 /nfs/dbraw/zinc/30/26/50/1198302650.db2.gz FUXXWUPVJREZHA-MRXNPFEDSA-N 2 1 373.501 0.977 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001086371204 1198333315 /nfs/dbraw/zinc/33/33/15/1198333315.db2.gz VYFYTWSOZPEYHV-ZQDZILKHSA-N 2 1 364.494 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001086371204 1198333321 /nfs/dbraw/zinc/33/33/21/1198333321.db2.gz VYFYTWSOZPEYHV-ZQDZILKHSA-N 2 1 364.494 0.850 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001006309920 1198393613 /nfs/dbraw/zinc/39/36/13/1198393613.db2.gz PRKWMFMUJGPAQI-HZMVEIRTSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)C1 ZINC001006309920 1198393623 /nfs/dbraw/zinc/39/36/23/1198393623.db2.gz PRKWMFMUJGPAQI-HZMVEIRTSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)C1 ZINC001006309920 1198393633 /nfs/dbraw/zinc/39/36/33/1198393633.db2.gz PRKWMFMUJGPAQI-HZMVEIRTSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1CC[C@H](NC(=O)c2ccc3nnc([C@@H]4C[N@H+](C)CCN4C)n3c2)C[NH2+]1 ZINC001219592210 1224520238 /nfs/dbraw/zinc/52/02/38/1224520238.db2.gz RKPDBHUJRIRBOW-BPUTZDHNSA-N 2 1 371.489 0.518 20 0 FCADMP C[C@H]1CC[C@H](NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](C)CCN4C)n3c2)C[NH2+]1 ZINC001219592210 1224520244 /nfs/dbraw/zinc/52/02/44/1224520244.db2.gz RKPDBHUJRIRBOW-BPUTZDHNSA-N 2 1 371.489 0.518 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCC2 ZINC001169096908 1199045846 /nfs/dbraw/zinc/04/58/46/1199045846.db2.gz ZRFLDYCMQBLTLW-NXOAAHMSSA-N 2 1 361.490 0.800 20 0 FCADMP CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCC2 ZINC001169096908 1199045855 /nfs/dbraw/zinc/04/58/55/1199045855.db2.gz ZRFLDYCMQBLTLW-NXOAAHMSSA-N 2 1 361.490 0.800 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370393 1199129591 /nfs/dbraw/zinc/12/95/91/1199129591.db2.gz RMNOETVQPPCVHD-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370393 1199129594 /nfs/dbraw/zinc/12/95/94/1199129594.db2.gz RMNOETVQPPCVHD-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129370393 1199129596 /nfs/dbraw/zinc/12/95/96/1199129596.db2.gz RMNOETVQPPCVHD-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)(OC(=O)[C@@H]([NH3+])CCC(=O)NCCC1(O)C[NH2+]C1)c1ccccc1 ZINC001219696160 1224564127 /nfs/dbraw/zinc/56/41/27/1224564127.db2.gz AIYFKXUONZPLOX-HNNXBMFYSA-N 2 1 363.458 0.413 20 0 FCADMP [NH3+][C@H](CO)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726445 1224580054 /nfs/dbraw/zinc/58/00/54/1224580054.db2.gz JJSMLNGRQIYMOE-ROUUACIJSA-N 3 1 360.502 0.314 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219729399 1224581060 /nfs/dbraw/zinc/58/10/60/1224581060.db2.gz VNPUUIVUNYYIEH-FHWLQOOXSA-N 3 1 372.513 0.327 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767945904 1200043782 /nfs/dbraw/zinc/04/37/82/1200043782.db2.gz UQROYNSTPZXHSP-ZJPYXAASSA-N 2 1 366.506 0.527 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129385803 1200107900 /nfs/dbraw/zinc/10/79/00/1200107900.db2.gz SIUWEUQKUPYXJE-CVEARBPZSA-N 2 1 362.478 0.142 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411670 1200252860 /nfs/dbraw/zinc/25/28/60/1200252860.db2.gz GWONINCZIMUCJG-IKGGRYGDSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411670 1200252863 /nfs/dbraw/zinc/25/28/63/1200252863.db2.gz GWONINCZIMUCJG-IKGGRYGDSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109411670 1200252866 /nfs/dbraw/zinc/25/28/66/1200252866.db2.gz GWONINCZIMUCJG-IKGGRYGDSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109411670 1200252868 /nfs/dbraw/zinc/25/28/68/1200252868.db2.gz GWONINCZIMUCJG-IKGGRYGDSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109426982 1200271536 /nfs/dbraw/zinc/27/15/36/1200271536.db2.gz IVOQYQORQCLILD-LLDVTBCESA-N 2 1 364.490 0.443 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109426982 1200271541 /nfs/dbraw/zinc/27/15/41/1200271541.db2.gz IVOQYQORQCLILD-LLDVTBCESA-N 2 1 364.490 0.443 20 0 FCADMP [NH3+]C1CCN([C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)c2ccco2)CC1 ZINC001219764434 1224601042 /nfs/dbraw/zinc/60/10/42/1224601042.db2.gz FQWDZUIEMDBNBT-HFTRVMKXSA-N 2 1 361.490 0.154 20 0 FCADMP [NH3+]C1CCN([C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)c2ccco2)CC1 ZINC001219764434 1224601049 /nfs/dbraw/zinc/60/10/49/1224601049.db2.gz FQWDZUIEMDBNBT-HFTRVMKXSA-N 2 1 361.490 0.154 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219765192 1224601126 /nfs/dbraw/zinc/60/11/26/1224601126.db2.gz WVZGZPUVDZPQRR-JTDSTZFVSA-N 2 1 370.497 0.747 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219765192 1224601131 /nfs/dbraw/zinc/60/11/31/1224601131.db2.gz WVZGZPUVDZPQRR-JTDSTZFVSA-N 2 1 370.497 0.747 20 0 FCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109447404 1200292912 /nfs/dbraw/zinc/29/29/12/1200292912.db2.gz JXBGWQSELSQCPT-UUAJXVIYSA-N 2 1 366.506 0.031 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219765786 1224602610 /nfs/dbraw/zinc/60/26/10/1224602610.db2.gz BJKVVSFDSOQHAD-MJGOQNOKSA-N 2 1 357.502 0.115 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219765786 1224602613 /nfs/dbraw/zinc/60/26/13/1224602613.db2.gz BJKVVSFDSOQHAD-MJGOQNOKSA-N 2 1 357.502 0.115 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001109719167 1200484750 /nfs/dbraw/zinc/48/47/50/1200484750.db2.gz XCPKAWMNHUWGLO-LMSBXDPUSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001109719167 1200484763 /nfs/dbraw/zinc/48/47/63/1200484763.db2.gz XCPKAWMNHUWGLO-LMSBXDPUSA-N 2 1 362.474 0.484 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729077 1200489783 /nfs/dbraw/zinc/48/97/83/1200489783.db2.gz SPDLMJRPSLQUTH-MQYQWHSLSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729077 1200489792 /nfs/dbraw/zinc/48/97/92/1200489792.db2.gz SPDLMJRPSLQUTH-MQYQWHSLSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729077 1200489796 /nfs/dbraw/zinc/48/97/96/1200489796.db2.gz SPDLMJRPSLQUTH-MQYQWHSLSA-N 2 1 367.494 0.269 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729077 1200489801 /nfs/dbraw/zinc/48/98/01/1200489801.db2.gz SPDLMJRPSLQUTH-MQYQWHSLSA-N 2 1 367.494 0.269 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219796170 1224616463 /nfs/dbraw/zinc/61/64/63/1224616463.db2.gz OYMJTYXZDQREIH-LPHOPBHVSA-N 2 1 363.550 0.393 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CCC1 ZINC001219798878 1224618264 /nfs/dbraw/zinc/61/82/64/1224618264.db2.gz WVAUIIMYBLLHHO-SJORKVTESA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)CCC1 ZINC001219798878 1224618271 /nfs/dbraw/zinc/61/82/71/1224618271.db2.gz WVAUIIMYBLLHHO-SJORKVTESA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCCO3)C[C@@H]2O)CCC1 ZINC001219798109 1224618549 /nfs/dbraw/zinc/61/85/49/1224618549.db2.gz FAIRFVDOAFQKNW-ZACQAIPSSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCCO3)C[C@@H]2O)CCC1 ZINC001219798109 1224618555 /nfs/dbraw/zinc/61/85/55/1224618555.db2.gz FAIRFVDOAFQKNW-ZACQAIPSSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001109980115 1200664018 /nfs/dbraw/zinc/66/40/18/1200664018.db2.gz JEVNIZPBUCPPDJ-BDXSIMOUSA-N 2 1 369.506 0.482 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219805382 1224624354 /nfs/dbraw/zinc/62/43/54/1224624354.db2.gz FKYFGBOXPRMWST-QYZOEREBSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219805382 1224624362 /nfs/dbraw/zinc/62/43/62/1224624362.db2.gz FKYFGBOXPRMWST-QYZOEREBSA-N 2 1 361.486 0.875 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O)C1CC1 ZINC001219804214 1224624487 /nfs/dbraw/zinc/62/44/87/1224624487.db2.gz PQINDGYUNDIZOQ-QYZOEREBSA-N 2 1 361.486 0.705 20 0 FCADMP Cc1ccc(C[C@H]([NH3+])C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c(C)c1 ZINC001219806518 1224625836 /nfs/dbraw/zinc/62/58/36/1224625836.db2.gz ZQKCNCSBOITUTM-KRWDZBQOSA-N 2 1 369.469 0.540 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002585 1200695587 /nfs/dbraw/zinc/69/55/87/1200695587.db2.gz MGZVDGZIWLSNMO-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002585 1200695600 /nfs/dbraw/zinc/69/56/00/1200695600.db2.gz MGZVDGZIWLSNMO-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC ZINC001110019289 1200709162 /nfs/dbraw/zinc/70/91/62/1200709162.db2.gz PQOSLXUXIZGOSI-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001110019289 1200709167 /nfs/dbraw/zinc/70/91/67/1200709167.db2.gz PQOSLXUXIZGOSI-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001110019289 1200709177 /nfs/dbraw/zinc/70/91/77/1200709177.db2.gz PQOSLXUXIZGOSI-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001110019289 1200709180 /nfs/dbraw/zinc/70/91/80/1200709180.db2.gz PQOSLXUXIZGOSI-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001110019289 1200709183 /nfs/dbraw/zinc/70/91/83/1200709183.db2.gz PQOSLXUXIZGOSI-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112563672 1200793095 /nfs/dbraw/zinc/79/30/95/1200793095.db2.gz HOUYWKCASLGHPD-UWVAXJGDSA-N 2 1 362.518 0.779 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787109266 1200863072 /nfs/dbraw/zinc/86/30/72/1200863072.db2.gz RDFKFQBRYRXYJV-KRWDZBQOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000787132462 1200866968 /nfs/dbraw/zinc/86/69/68/1200866968.db2.gz ZGIPXDCTLAVHRW-QGZVFWFLSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCCCC1 ZINC000787137317 1200868024 /nfs/dbraw/zinc/86/80/24/1200868024.db2.gz ORSVSKNUOPOZMJ-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)CC[N@@H+]1C ZINC001112865878 1200954712 /nfs/dbraw/zinc/95/47/12/1200954712.db2.gz FJVYEYSKDQGYBI-JFIYKMOQSA-N 2 1 365.474 0.642 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)CC[N@H+]1C ZINC001112865878 1200954719 /nfs/dbraw/zinc/95/47/19/1200954719.db2.gz FJVYEYSKDQGYBI-JFIYKMOQSA-N 2 1 365.474 0.642 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793291721 1201232979 /nfs/dbraw/zinc/23/29/79/1201232979.db2.gz UTXRHEMCZVRBAF-CABCVRRESA-N 2 1 358.446 0.816 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793291721 1201232986 /nfs/dbraw/zinc/23/29/86/1201232986.db2.gz UTXRHEMCZVRBAF-CABCVRRESA-N 2 1 358.446 0.816 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000793846174 1201268079 /nfs/dbraw/zinc/26/80/79/1201268079.db2.gz STDXPKWBKYXFSQ-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000793846174 1201268085 /nfs/dbraw/zinc/26/80/85/1201268085.db2.gz STDXPKWBKYXFSQ-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129411657 1201298047 /nfs/dbraw/zinc/29/80/47/1201298047.db2.gz AYAHPLGFVUTNEO-BMFZPTHFSA-N 2 1 361.450 0.021 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453605 1201311876 /nfs/dbraw/zinc/31/18/76/1201311876.db2.gz DWMAFGZTNKUJSL-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461317 1201327130 /nfs/dbraw/zinc/32/71/30/1201327130.db2.gz VPDCUXRYSMJIAO-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461317 1201327136 /nfs/dbraw/zinc/32/71/36/1201327136.db2.gz VPDCUXRYSMJIAO-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461317 1201327146 /nfs/dbraw/zinc/32/71/46/1201327146.db2.gz VPDCUXRYSMJIAO-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129461317 1201327152 /nfs/dbraw/zinc/32/71/52/1201327152.db2.gz VPDCUXRYSMJIAO-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485115 1201331794 /nfs/dbraw/zinc/33/17/94/1201331794.db2.gz WBRCICPZQQFWNR-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1)OC ZINC001129932100 1201434629 /nfs/dbraw/zinc/43/46/29/1201434629.db2.gz LTSOITTVZCJXNT-XHSDSOJGSA-N 2 1 361.450 0.250 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011971 1201471176 /nfs/dbraw/zinc/47/11/76/1201471176.db2.gz HEDSOAUEMLDENI-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012081 1201471233 /nfs/dbraw/zinc/47/12/33/1201471233.db2.gz NPSAIZDJXRAMNX-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992335 1201471369 /nfs/dbraw/zinc/47/13/69/1201471369.db2.gz ZAZQINFUAWVNAM-CVEARBPZSA-N 2 1 361.450 0.322 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130081653 1201492934 /nfs/dbraw/zinc/49/29/34/1201492934.db2.gz ZOVDLQVHRXITEV-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001130122944 1201511437 /nfs/dbraw/zinc/51/14/37/1201511437.db2.gz CPFLGXZYLDASIS-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132919 1201512629 /nfs/dbraw/zinc/51/26/29/1201512629.db2.gz WLNZSNLEDXGVSM-IXDOHACOSA-N 2 1 362.478 0.307 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001130132919 1201512632 /nfs/dbraw/zinc/51/26/32/1201512632.db2.gz WLNZSNLEDXGVSM-IXDOHACOSA-N 2 1 362.478 0.307 20 0 FCADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137387 1201514924 /nfs/dbraw/zinc/51/49/24/1201514924.db2.gz WXXSWTSHLQKWLI-MSOLQXFVSA-N 2 1 371.489 0.863 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCn2cc(-c3ccccc3)cn2)O1 ZINC001130182506 1201525888 /nfs/dbraw/zinc/52/58/88/1201525888.db2.gz KVKWXUQGNWDNTG-VQIMIIECSA-N 2 1 371.485 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCn2cc(-c3ccccc3)cn2)O1 ZINC001130182506 1201525892 /nfs/dbraw/zinc/52/58/92/1201525892.db2.gz KVKWXUQGNWDNTG-VQIMIIECSA-N 2 1 371.485 0.975 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)ccc2F)O1 ZINC001130184512 1201537079 /nfs/dbraw/zinc/53/70/79/1201537079.db2.gz SXVCKLPOIFDWBY-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)ccc2F)O1 ZINC001130184512 1201537082 /nfs/dbraw/zinc/53/70/82/1201537082.db2.gz SXVCKLPOIFDWBY-IAQYHMDHSA-N 2 1 370.400 0.328 20 0 FCADMP CCc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184517 1201537384 /nfs/dbraw/zinc/53/73/84/1201537384.db2.gz UALNATHUBZYZGD-RHSMWYFYSA-N 2 1 362.474 0.612 20 0 FCADMP CCc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184517 1201537387 /nfs/dbraw/zinc/53/73/87/1201537387.db2.gz UALNATHUBZYZGD-RHSMWYFYSA-N 2 1 362.474 0.612 20 0 FCADMP Cc1ccc(C)c(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184469 1201537835 /nfs/dbraw/zinc/53/78/35/1201537835.db2.gz RNFFGZYDIFXZLW-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1ccc(C)c(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184469 1201537839 /nfs/dbraw/zinc/53/78/39/1201537839.db2.gz RNFFGZYDIFXZLW-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130215958 1201546832 /nfs/dbraw/zinc/54/68/32/1201546832.db2.gz JSONXIGQCIIOLS-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001130215958 1201546834 /nfs/dbraw/zinc/54/68/34/1201546834.db2.gz JSONXIGQCIIOLS-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001130215958 1201546836 /nfs/dbraw/zinc/54/68/36/1201546836.db2.gz JSONXIGQCIIOLS-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001130215958 1201546850 /nfs/dbraw/zinc/54/68/50/1201546850.db2.gz JSONXIGQCIIOLS-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001130215958 1201546856 /nfs/dbraw/zinc/54/68/56/1201546856.db2.gz JSONXIGQCIIOLS-KKUMJFAQSA-N 2 1 364.494 0.777 20 0 FCADMP CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234696 1201558421 /nfs/dbraw/zinc/55/84/21/1201558421.db2.gz IIHSKHZFXOXTLY-GJZGRUSLSA-N 2 1 364.494 0.801 20 0 FCADMP CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234696 1201558424 /nfs/dbraw/zinc/55/84/24/1201558424.db2.gz IIHSKHZFXOXTLY-GJZGRUSLSA-N 2 1 364.494 0.801 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001219922839 1224682810 /nfs/dbraw/zinc/68/28/10/1224682810.db2.gz KBOMXRDHIQZBTK-MSOLQXFVSA-N 2 1 358.442 0.844 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001219922839 1224682815 /nfs/dbraw/zinc/68/28/15/1224682815.db2.gz KBOMXRDHIQZBTK-MSOLQXFVSA-N 2 1 358.442 0.844 20 0 FCADMP C[NH+](C)CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130247114 1201567246 /nfs/dbraw/zinc/56/72/46/1201567246.db2.gz VOMANNUMDZROLD-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP C[NH+](C)CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130247114 1201567250 /nfs/dbraw/zinc/56/72/50/1201567250.db2.gz VOMANNUMDZROLD-KBPBESRZSA-N 2 1 370.473 0.584 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940911 1224692798 /nfs/dbraw/zinc/69/27/98/1224692798.db2.gz IDBRGILUCGKQKH-UYAOXDASSA-N 3 1 373.545 0.765 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940911 1224692802 /nfs/dbraw/zinc/69/28/02/1224692802.db2.gz IDBRGILUCGKQKH-UYAOXDASSA-N 2 1 373.545 0.765 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940911 1224692805 /nfs/dbraw/zinc/69/28/05/1224692805.db2.gz IDBRGILUCGKQKH-UYAOXDASSA-N 2 1 373.545 0.765 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999270 1224722727 /nfs/dbraw/zinc/72/27/27/1224722727.db2.gz OLUCFBRJPLBNJO-RBUKOAKNSA-N 3 1 359.518 0.690 20 0 FCADMP COC(=O)C1(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCN2)CC[NH2+]CC1 ZINC001219999537 1224722924 /nfs/dbraw/zinc/72/29/24/1224722924.db2.gz WRXQORJTXRSNMS-QGZVFWFLSA-N 2 1 374.485 0.262 20 0 FCADMP COC(=O)C1(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCN2)CC[NH2+]CC1 ZINC001219999537 1224722929 /nfs/dbraw/zinc/72/29/29/1224722929.db2.gz WRXQORJTXRSNMS-QGZVFWFLSA-N 2 1 374.485 0.262 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061434 1224740984 /nfs/dbraw/zinc/74/09/84/1224740984.db2.gz OCMJLODOWHQNIQ-MOPGFXCFSA-N 2 1 363.502 0.992 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)co1 ZINC001130670293 1202751724 /nfs/dbraw/zinc/75/17/24/1202751724.db2.gz WEEGKYADEAKAHO-DOTOQJQBSA-N 2 1 360.462 0.752 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130734432 1202768685 /nfs/dbraw/zinc/76/86/85/1202768685.db2.gz PGHDXEGGGHIEEP-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC[NH+](C)CC3)n[nH]2)O1 ZINC001130802122 1202803471 /nfs/dbraw/zinc/80/34/71/1202803471.db2.gz CUDKLUUEILZSTO-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220073539 1224746689 /nfs/dbraw/zinc/74/66/89/1224746689.db2.gz HIBLVHCASNNDIR-HOTGVXAUSA-N 2 1 351.410 0.701 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n[nH]1 ZINC001130815890 1202806817 /nfs/dbraw/zinc/80/68/17/1202806817.db2.gz FHVNCXKONVVJJW-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130815842 1202806890 /nfs/dbraw/zinc/80/68/90/1202806890.db2.gz CFXVCGDVSCXBLS-MELADBBJSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130815842 1202806893 /nfs/dbraw/zinc/80/68/93/1202806893.db2.gz CFXVCGDVSCXBLS-MELADBBJSA-N 2 1 368.457 0.542 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130815842 1202806895 /nfs/dbraw/zinc/80/68/95/1202806895.db2.gz CFXVCGDVSCXBLS-MELADBBJSA-N 2 1 368.457 0.542 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817581 1202808444 /nfs/dbraw/zinc/80/84/44/1202808444.db2.gz UJCLCRQNLZWMOS-SOUVJXGZSA-N 2 1 364.494 0.838 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817581 1202808448 /nfs/dbraw/zinc/80/84/48/1202808448.db2.gz UJCLCRQNLZWMOS-SOUVJXGZSA-N 2 1 364.494 0.838 20 0 FCADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817581 1202808451 /nfs/dbraw/zinc/80/84/51/1202808451.db2.gz UJCLCRQNLZWMOS-SOUVJXGZSA-N 2 1 364.494 0.838 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220077935 1224747416 /nfs/dbraw/zinc/74/74/16/1224747416.db2.gz BXBZBYJGOYKAKE-OAGGEKHMSA-N 2 1 368.522 0.456 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220077935 1224747422 /nfs/dbraw/zinc/74/74/22/1224747422.db2.gz BXBZBYJGOYKAKE-OAGGEKHMSA-N 2 1 368.522 0.456 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130944105 1202827159 /nfs/dbraw/zinc/82/71/59/1202827159.db2.gz VHABMSZJEQSPFS-ZACQAIPSSA-N 2 1 363.506 0.823 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994292 1202838583 /nfs/dbraw/zinc/83/85/83/1202838583.db2.gz RLZDRHOFNQNIDV-QBPKDAKJSA-N 2 1 363.506 0.681 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994188 1202838626 /nfs/dbraw/zinc/83/86/26/1202838626.db2.gz LULVFCFAIOFSRM-QBPKDAKJSA-N 2 1 363.506 0.681 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017940 1202843700 /nfs/dbraw/zinc/84/37/00/1202843700.db2.gz UCJHGRVKKRWZHG-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010520 1202844044 /nfs/dbraw/zinc/84/40/44/1202844044.db2.gz OXEWLEVEJJFTMX-IAGOWNOFSA-N 2 1 363.506 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131101171 1202863289 /nfs/dbraw/zinc/86/32/89/1202863289.db2.gz QXXZYLPZNQWCKV-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131115723 1202865018 /nfs/dbraw/zinc/86/50/18/1202865018.db2.gz WYYLDXJZFKMWOP-BRWVUGGUSA-N 2 1 365.522 0.807 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086659271 1202871992 /nfs/dbraw/zinc/87/19/92/1202871992.db2.gz QGHAAYWQYIXUCK-ZNMIVQPWSA-N 2 1 362.478 0.277 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001131316718 1202885983 /nfs/dbraw/zinc/88/59/83/1202885983.db2.gz SWSPDSXVAQJRSU-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001131316718 1202885985 /nfs/dbraw/zinc/88/59/85/1202885985.db2.gz SWSPDSXVAQJRSU-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131316718 1202885988 /nfs/dbraw/zinc/88/59/88/1202885988.db2.gz SWSPDSXVAQJRSU-BBWFWOEESA-N 2 1 364.490 0.844 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313056 1202887560 /nfs/dbraw/zinc/88/75/60/1202887560.db2.gz GJDRBQXLARESBJ-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313056 1202887564 /nfs/dbraw/zinc/88/75/64/1202887564.db2.gz GJDRBQXLARESBJ-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131313462 1202887894 /nfs/dbraw/zinc/88/78/94/1202887894.db2.gz SVBMDGINZWRYMG-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131313462 1202887896 /nfs/dbraw/zinc/88/78/96/1202887896.db2.gz SVBMDGINZWRYMG-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131588210 1202916763 /nfs/dbraw/zinc/91/67/63/1202916763.db2.gz XGWGYFFUCVEVAX-AEFFLSMTSA-N 2 1 365.478 0.897 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131588210 1202916768 /nfs/dbraw/zinc/91/67/68/1202916768.db2.gz XGWGYFFUCVEVAX-AEFFLSMTSA-N 2 1 365.478 0.897 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131588158 1202916905 /nfs/dbraw/zinc/91/69/05/1202916905.db2.gz UPZSMEJCQDLCEC-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)C1 ZINC001131606856 1202918721 /nfs/dbraw/zinc/91/87/21/1202918721.db2.gz JDOFDKSRYYKNIV-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)C1 ZINC001131606856 1202918723 /nfs/dbraw/zinc/91/87/23/1202918723.db2.gz JDOFDKSRYYKNIV-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131596931 1202919194 /nfs/dbraw/zinc/91/91/94/1202919194.db2.gz BKOGNWANHARWFX-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131597210 1202919509 /nfs/dbraw/zinc/91/95/09/1202919509.db2.gz QSGKMTIRGNBYPN-KYJSFNMBSA-N 2 1 368.522 0.448 20 0 FCADMP O=C(N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001131599678 1202919779 /nfs/dbraw/zinc/91/97/79/1202919779.db2.gz GNUXILCCQBEJRW-HBFSDRIKSA-N 2 1 365.518 0.840 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCO)C[C@H](C)O)cc2)CC1 ZINC000810039437 1202940063 /nfs/dbraw/zinc/94/00/63/1202940063.db2.gz APDANYWBGREWAC-INIZCTEOSA-N 2 1 364.490 0.442 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCO)C[C@H](C)O)cc2)CC1 ZINC000810039437 1202940065 /nfs/dbraw/zinc/94/00/65/1202940065.db2.gz APDANYWBGREWAC-INIZCTEOSA-N 2 1 364.490 0.442 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327211 1202993258 /nfs/dbraw/zinc/99/32/58/1202993258.db2.gz YZQHLEKYIUILJN-TZMCWYRMSA-N 2 1 373.457 0.454 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086716645 1203011536 /nfs/dbraw/zinc/01/15/36/1203011536.db2.gz KRVFQHURMFONHJ-SQWLQELKSA-N 2 1 357.462 0.964 20 0 FCADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134120909 1203014968 /nfs/dbraw/zinc/01/49/68/1203014968.db2.gz JSOHUADVIOHDBT-SJORKVTESA-N 2 1 356.474 0.849 20 0 FCADMP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134120909 1203014971 /nfs/dbraw/zinc/01/49/71/1203014971.db2.gz JSOHUADVIOHDBT-SJORKVTESA-N 2 1 356.474 0.849 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)[C@@H](c2ccccc2)C1 ZINC001134126237 1203015828 /nfs/dbraw/zinc/01/58/28/1203015828.db2.gz GUHNCKIMEPMMGJ-SJORKVTESA-N 2 1 369.473 0.559 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)[C@@H](c2ccccc2)C1 ZINC001134126237 1203015829 /nfs/dbraw/zinc/01/58/29/1203015829.db2.gz GUHNCKIMEPMMGJ-SJORKVTESA-N 2 1 369.473 0.559 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731800 1203056453 /nfs/dbraw/zinc/05/64/53/1203056453.db2.gz CXJLSFCWTUKZGL-AETAKHFUSA-N 2 1 363.506 0.822 20 0 FCADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731800 1203056456 /nfs/dbraw/zinc/05/64/56/1203056456.db2.gz CXJLSFCWTUKZGL-AETAKHFUSA-N 2 1 363.506 0.822 20 0 FCADMP CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C[NH+](C)C)on3)C2)C1=O ZINC001086739804 1203065963 /nfs/dbraw/zinc/06/59/63/1203065963.db2.gz SFXRSVDDBJZGGW-GZBFAFLISA-N 2 1 363.462 0.455 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086740208 1203066761 /nfs/dbraw/zinc/06/67/61/1203066761.db2.gz NINNJSLKSQVZCA-ARFHVFGLSA-N 2 1 363.510 0.705 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3nncn3C)C1)C2 ZINC001086802943 1203101278 /nfs/dbraw/zinc/10/12/78/1203101278.db2.gz ICTHCBZTVYIQLO-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863967 1203102879 /nfs/dbraw/zinc/10/28/79/1203102879.db2.gz YXOLUCJMIKFPQC-RRFJBIMHSA-N 2 1 369.510 0.437 20 0 FCADMP CON(C)C(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819040888 1203148456 /nfs/dbraw/zinc/14/84/56/1203148456.db2.gz PDVHPEDWDWJCSQ-KRWDZBQOSA-N 2 1 362.474 0.883 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1c(C)cc(C)nc1=O ZINC001136541940 1203223706 /nfs/dbraw/zinc/22/37/06/1203223706.db2.gz SEBWDICKVFXDJQ-QGZVFWFLSA-N 2 1 363.506 0.735 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119251 1224777305 /nfs/dbraw/zinc/77/73/05/1224777305.db2.gz IAXHTJAKOUEQAL-BBWFWOEESA-N 2 1 369.506 0.218 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119251 1224777307 /nfs/dbraw/zinc/77/73/07/1224777307.db2.gz IAXHTJAKOUEQAL-BBWFWOEESA-N 2 1 369.506 0.218 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143682247 1203325342 /nfs/dbraw/zinc/32/53/42/1203325342.db2.gz VGLPCAPDDMKGPT-IAGOWNOFSA-N 3 1 361.490 0.686 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143682247 1203325345 /nfs/dbraw/zinc/32/53/45/1203325345.db2.gz VGLPCAPDDMKGPT-IAGOWNOFSA-N 3 1 361.490 0.686 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885618 1203331900 /nfs/dbraw/zinc/33/19/00/1203331900.db2.gz YTCIBYSWKJSTPT-HYVNUMGLSA-N 2 1 360.458 0.016 20 0 FCADMP CC(C)[NH+]1CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001220158857 1224791445 /nfs/dbraw/zinc/79/14/45/1224791445.db2.gz IZOXJRWMPJRWIR-ROUUACIJSA-N 2 1 358.486 0.675 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+]C[C@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228645 1224810284 /nfs/dbraw/zinc/81/02/84/1224810284.db2.gz SCKYCYNNDZOKFB-FCEWJHQRSA-N 2 1 363.433 0.868 20 0 FCADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220230427 1224811006 /nfs/dbraw/zinc/81/10/06/1224811006.db2.gz FACQBZKETHYUFI-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220230427 1224811007 /nfs/dbraw/zinc/81/10/07/1224811007.db2.gz FACQBZKETHYUFI-MSOLQXFVSA-N 2 1 362.474 0.648 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220236985 1224812618 /nfs/dbraw/zinc/81/26/18/1224812618.db2.gz MKBTZQIFYMRHJJ-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220238645 1224812983 /nfs/dbraw/zinc/81/29/83/1224812983.db2.gz YWZRLMHMLPFIEZ-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220238645 1224812985 /nfs/dbraw/zinc/81/29/85/1224812985.db2.gz YWZRLMHMLPFIEZ-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@@H]1O ZINC001220273085 1224818070 /nfs/dbraw/zinc/81/80/70/1224818070.db2.gz BEQCDCQEPYURJI-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220275211 1224819493 /nfs/dbraw/zinc/81/94/93/1224819493.db2.gz RYYWSVZXYLKZCN-CVEARBPZSA-N 2 1 363.458 0.113 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)CC1 ZINC001220306557 1224824504 /nfs/dbraw/zinc/82/45/04/1224824504.db2.gz NAOILLJXUJAWGG-GOSISDBHSA-N 2 1 355.486 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001091039250 1204453828 /nfs/dbraw/zinc/45/38/28/1204453828.db2.gz VCLFIAPRVZFTAL-SSHXOBKSSA-N 2 1 363.510 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001091039250 1204453832 /nfs/dbraw/zinc/45/38/32/1204453832.db2.gz VCLFIAPRVZFTAL-SSHXOBKSSA-N 2 1 363.510 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001091039250 1204453836 /nfs/dbraw/zinc/45/38/36/1204453836.db2.gz VCLFIAPRVZFTAL-SSHXOBKSSA-N 2 1 363.510 0.969 20 0 FCADMP CCCn1nnnc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001091039020 1204453983 /nfs/dbraw/zinc/45/39/83/1204453983.db2.gz JXUNNHKUUGAKQI-SSHXOBKSSA-N 2 1 363.510 0.798 20 0 FCADMP CCCn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001091039020 1204453986 /nfs/dbraw/zinc/45/39/86/1204453986.db2.gz JXUNNHKUUGAKQI-SSHXOBKSSA-N 2 1 363.510 0.798 20 0 FCADMP CCCn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001091039020 1204453989 /nfs/dbraw/zinc/45/39/89/1204453989.db2.gz JXUNNHKUUGAKQI-SSHXOBKSSA-N 2 1 363.510 0.798 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)nc(C)[nH+]1 ZINC001091047976 1204462478 /nfs/dbraw/zinc/46/24/78/1204462478.db2.gz MMDHMYPJLOZYMK-JKSUJKDBSA-N 2 1 363.462 0.088 20 0 FCADMP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000845845405 1204553459 /nfs/dbraw/zinc/55/34/59/1204553459.db2.gz OERLLSRWHRGFRF-SOUVJXGZSA-N 2 1 372.510 0.667 20 0 FCADMP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000845845405 1204553463 /nfs/dbraw/zinc/55/34/63/1204553463.db2.gz OERLLSRWHRGFRF-SOUVJXGZSA-N 2 1 372.510 0.667 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091194953 1204598560 /nfs/dbraw/zinc/59/85/60/1204598560.db2.gz JEMVAXKEDQCEJM-XHSDSOJGSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1nc(N2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091194953 1204598566 /nfs/dbraw/zinc/59/85/66/1204598566.db2.gz JEMVAXKEDQCEJM-XHSDSOJGSA-N 2 1 361.490 0.888 20 0 FCADMP O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001220357269 1224840790 /nfs/dbraw/zinc/84/07/90/1224840790.db2.gz JISXUBHDDOQQPJ-IKGGRYGDSA-N 2 1 361.442 0.550 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001220355593 1224841492 /nfs/dbraw/zinc/84/14/92/1224841492.db2.gz VYGYCWWKLDGPPP-JQHSSLGASA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001220355593 1224841497 /nfs/dbraw/zinc/84/14/97/1224841497.db2.gz VYGYCWWKLDGPPP-JQHSSLGASA-N 2 1 364.490 0.730 20 0 FCADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898754 1204672804 /nfs/dbraw/zinc/67/28/04/1204672804.db2.gz CASQXANYQZEKCJ-IRXDYDNUSA-N 2 1 370.538 0.926 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898754 1204672807 /nfs/dbraw/zinc/67/28/07/1204672807.db2.gz CASQXANYQZEKCJ-IRXDYDNUSA-N 2 1 370.538 0.926 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091543945 1204707961 /nfs/dbraw/zinc/70/79/61/1204707961.db2.gz RGRYKCYOPPFZSF-LMMKCTJWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543945 1204707965 /nfs/dbraw/zinc/70/79/65/1204707965.db2.gz RGRYKCYOPPFZSF-LMMKCTJWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543945 1204707967 /nfs/dbraw/zinc/70/79/67/1204707967.db2.gz RGRYKCYOPPFZSF-LMMKCTJWSA-N 2 1 360.506 0.769 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220372982 1224847082 /nfs/dbraw/zinc/84/70/82/1224847082.db2.gz UIHQRQIXMRSADP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220372982 1224847084 /nfs/dbraw/zinc/84/70/84/1224847084.db2.gz UIHQRQIXMRSADP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220372982 1224847085 /nfs/dbraw/zinc/84/70/85/1224847085.db2.gz UIHQRQIXMRSADP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220372982 1224847086 /nfs/dbraw/zinc/84/70/86/1224847086.db2.gz UIHQRQIXMRSADP-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387352 1224853676 /nfs/dbraw/zinc/85/36/76/1224853676.db2.gz IFOSGZRPOPQXJH-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387352 1224853679 /nfs/dbraw/zinc/85/36/79/1224853679.db2.gz IFOSGZRPOPQXJH-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388066 1224854128 /nfs/dbraw/zinc/85/41/28/1224854128.db2.gz ZCHUVMTVNWZRJY-NXHRZFHOSA-N 2 1 369.506 0.218 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742961 1204840102 /nfs/dbraw/zinc/84/01/02/1204840102.db2.gz GYRDCFISAXHZRQ-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742961 1204840104 /nfs/dbraw/zinc/84/01/04/1204840104.db2.gz GYRDCFISAXHZRQ-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742961 1204840106 /nfs/dbraw/zinc/84/01/06/1204840106.db2.gz GYRDCFISAXHZRQ-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1cnnc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754176 1204844035 /nfs/dbraw/zinc/84/40/35/1204844035.db2.gz HMJAATYXUCZJGS-GJYPPUQNSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091754534 1204844387 /nfs/dbraw/zinc/84/43/87/1204844387.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 1 355.446 0.585 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091754534 1204844389 /nfs/dbraw/zinc/84/43/89/1204844389.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 1 355.446 0.585 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091754534 1204844390 /nfs/dbraw/zinc/84/43/90/1204844390.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 1 355.446 0.585 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC001273452784 1204850193 /nfs/dbraw/zinc/85/01/93/1204850193.db2.gz BHFZAXFOSPAJAK-WBVHZDCISA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001086880172 1204855742 /nfs/dbraw/zinc/85/57/42/1204855742.db2.gz MXTUADIBOUVNEF-SQWLQELKSA-N 2 1 366.462 0.778 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001086880172 1204855744 /nfs/dbraw/zinc/85/57/44/1204855744.db2.gz MXTUADIBOUVNEF-SQWLQELKSA-N 2 1 366.462 0.778 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086880653 1204856328 /nfs/dbraw/zinc/85/63/28/1204856328.db2.gz JFHZHRIOFBPDOI-UXLLHSPISA-N 2 1 364.494 0.393 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880653 1204856329 /nfs/dbraw/zinc/85/63/29/1204856329.db2.gz JFHZHRIOFBPDOI-UXLLHSPISA-N 2 1 364.494 0.393 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087034978 1204909488 /nfs/dbraw/zinc/90/94/88/1204909488.db2.gz GLEGVPDURKYHLE-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087034874 1204909880 /nfs/dbraw/zinc/90/98/80/1204909880.db2.gz AIVLMTXSPIAEHP-RBSFLKMASA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087034874 1204909888 /nfs/dbraw/zinc/90/98/88/1204909888.db2.gz AIVLMTXSPIAEHP-RBSFLKMASA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087038668 1204917202 /nfs/dbraw/zinc/91/72/02/1204917202.db2.gz SEOCOQNOOJKEBN-KZNAEPCWSA-N 2 1 369.506 0.197 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087038668 1204917207 /nfs/dbraw/zinc/91/72/07/1204917207.db2.gz SEOCOQNOOJKEBN-KZNAEPCWSA-N 2 1 369.506 0.197 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087083726 1204970953 /nfs/dbraw/zinc/97/09/53/1204970953.db2.gz QDRJDRDTILOTNQ-GVDBMIGSSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087100829 1204997836 /nfs/dbraw/zinc/99/78/36/1204997836.db2.gz GSXDUVHSPGRMFL-GVDBMIGSSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087096275 1205003802 /nfs/dbraw/zinc/00/38/02/1205003802.db2.gz GEBACIAIEBSIPF-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087096558 1205004758 /nfs/dbraw/zinc/00/47/58/1205004758.db2.gz RQWJOFJQBNHKAD-ZMSDIMECSA-N 2 1 364.494 0.110 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783248 1205027365 /nfs/dbraw/zinc/02/73/65/1205027365.db2.gz WZUOHZAKGRLSEQ-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783248 1205027370 /nfs/dbraw/zinc/02/73/70/1205027370.db2.gz WZUOHZAKGRLSEQ-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783248 1205027373 /nfs/dbraw/zinc/02/73/73/1205027373.db2.gz WZUOHZAKGRLSEQ-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783248 1205027376 /nfs/dbraw/zinc/02/73/76/1205027376.db2.gz WZUOHZAKGRLSEQ-VWMOJTHMSA-N 2 1 362.474 0.982 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091845287 1205035941 /nfs/dbraw/zinc/03/59/41/1205035941.db2.gz RSBYMZCPMCIWQX-LPMFXHHGSA-N 2 1 368.441 0.535 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)C1=O ZINC001091818676 1205041446 /nfs/dbraw/zinc/04/14/46/1205041446.db2.gz JVIKGALPGAMOQP-GJYPPUQNSA-N 2 1 360.502 0.626 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)C[C@]3(C)C2)C1=O ZINC001091823431 1205043455 /nfs/dbraw/zinc/04/34/55/1205043455.db2.gz CIHACGUEEOFTDZ-SYNHAJSKSA-N 2 1 367.453 0.959 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091882756 1205048143 /nfs/dbraw/zinc/04/81/43/1205048143.db2.gz JJLKGDGNLNSHPJ-UZLBHIALSA-N 2 1 358.486 0.670 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091856451 1205051427 /nfs/dbraw/zinc/05/14/27/1205051427.db2.gz RACMNWMJCNMBNR-KHYOSLBOSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091856451 1205051432 /nfs/dbraw/zinc/05/14/32/1205051432.db2.gz RACMNWMJCNMBNR-KHYOSLBOSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001091856154 1205051495 /nfs/dbraw/zinc/05/14/95/1205051495.db2.gz INLYUCCJYPTWAM-BEFAXECRSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001091856154 1205051501 /nfs/dbraw/zinc/05/15/01/1205051501.db2.gz INLYUCCJYPTWAM-BEFAXECRSA-N 2 1 359.474 0.593 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960233 1205093509 /nfs/dbraw/zinc/09/35/09/1205093509.db2.gz RQKICQPNFIZRLC-BEFAXECRSA-N 2 1 362.474 0.823 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1)C1CC1 ZINC001091974696 1205105476 /nfs/dbraw/zinc/10/54/76/1205105476.db2.gz PPPIQKJJVVSQSM-UZLBHIALSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001092071570 1205134806 /nfs/dbraw/zinc/13/48/06/1205134806.db2.gz BHUCXBAWUICJDO-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1)C1CC1 ZINC001092203832 1205197430 /nfs/dbraw/zinc/19/74/30/1205197430.db2.gz ZOCHWCQDBVVHBQ-BEFAXECRSA-N 2 1 360.502 0.483 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272592 1205219472 /nfs/dbraw/zinc/21/94/72/1205219472.db2.gz GUHMADBDESEGJK-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272592 1205219474 /nfs/dbraw/zinc/21/94/74/1205219474.db2.gz GUHMADBDESEGJK-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092272592 1205219479 /nfs/dbraw/zinc/21/94/79/1205219479.db2.gz GUHMADBDESEGJK-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292290 1205256827 /nfs/dbraw/zinc/25/68/27/1205256827.db2.gz QMCVTTXVRRHPNI-AOIWGVFYSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292290 1205256831 /nfs/dbraw/zinc/25/68/31/1205256831.db2.gz QMCVTTXVRRHPNI-AOIWGVFYSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292290 1205256835 /nfs/dbraw/zinc/25/68/35/1205256835.db2.gz QMCVTTXVRRHPNI-AOIWGVFYSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)C1 ZINC001092292290 1205256838 /nfs/dbraw/zinc/25/68/38/1205256838.db2.gz QMCVTTXVRRHPNI-AOIWGVFYSA-N 2 1 361.490 0.421 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505837 1205296952 /nfs/dbraw/zinc/29/69/52/1205296952.db2.gz XOMNNZSOCLWQAU-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505837 1205296956 /nfs/dbraw/zinc/29/69/56/1205296956.db2.gz XOMNNZSOCLWQAU-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092505837 1205296960 /nfs/dbraw/zinc/29/69/60/1205296960.db2.gz XOMNNZSOCLWQAU-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092505837 1205296965 /nfs/dbraw/zinc/29/69/65/1205296965.db2.gz XOMNNZSOCLWQAU-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611070 1205319559 /nfs/dbraw/zinc/31/95/59/1205319559.db2.gz HEQIUHZNHZYCJA-SUMDDJOVSA-N 2 1 359.518 0.989 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773703 1205353781 /nfs/dbraw/zinc/35/37/81/1205353781.db2.gz QUFGTRBWXTWEAP-BZUAXINKSA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911525 1205940351 /nfs/dbraw/zinc/94/03/51/1205940351.db2.gz SQSYEKNKXRLXFT-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911525 1205940356 /nfs/dbraw/zinc/94/03/56/1205940356.db2.gz SQSYEKNKXRLXFT-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092911525 1205940362 /nfs/dbraw/zinc/94/03/62/1205940362.db2.gz SQSYEKNKXRLXFT-BRWVUGGUSA-N 2 1 364.494 0.071 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092912578 1205942047 /nfs/dbraw/zinc/94/20/47/1205942047.db2.gz QXMMZKGYLYBLDS-LTIDMASMSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001092912578 1205942048 /nfs/dbraw/zinc/94/20/48/1205942048.db2.gz QXMMZKGYLYBLDS-LTIDMASMSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001092912578 1205942051 /nfs/dbraw/zinc/94/20/51/1205942051.db2.gz QXMMZKGYLYBLDS-LTIDMASMSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092919248 1205944858 /nfs/dbraw/zinc/94/48/58/1205944858.db2.gz HPLNMEHZEOTKAH-FVQBIDKESA-N 2 1 362.474 0.870 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968155 1205967852 /nfs/dbraw/zinc/96/78/52/1205967852.db2.gz NRRKUPKJOQMXFI-RVKKMQEKSA-N 2 1 360.502 0.962 20 0 FCADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553248 1224925696 /nfs/dbraw/zinc/92/56/96/1224925696.db2.gz DMXKTDBDKCCQPI-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553248 1224925701 /nfs/dbraw/zinc/92/57/01/1224925701.db2.gz DMXKTDBDKCCQPI-MOPGFXCFSA-N 2 1 361.486 0.687 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209011 1206057048 /nfs/dbraw/zinc/05/70/48/1206057048.db2.gz OCRQPGKTQADRLR-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209011 1206057051 /nfs/dbraw/zinc/05/70/51/1206057051.db2.gz OCRQPGKTQADRLR-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209011 1206057055 /nfs/dbraw/zinc/05/70/55/1206057055.db2.gz OCRQPGKTQADRLR-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)C1 ZINC001093209011 1206057057 /nfs/dbraw/zinc/05/70/57/1206057057.db2.gz OCRQPGKTQADRLR-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553538 1224926543 /nfs/dbraw/zinc/92/65/43/1224926543.db2.gz KQACPQGVLHDJBH-MOPGFXCFSA-N 2 1 361.486 0.633 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553538 1224926552 /nfs/dbraw/zinc/92/65/52/1224926552.db2.gz KQACPQGVLHDJBH-MOPGFXCFSA-N 2 1 361.486 0.633 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC001093690413 1206101388 /nfs/dbraw/zinc/10/13/88/1206101388.db2.gz SNQAKSLJHVUNBJ-RKVPGOIHSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC001093690413 1206101392 /nfs/dbraw/zinc/10/13/92/1206101392.db2.gz SNQAKSLJHVUNBJ-RKVPGOIHSA-N 2 1 362.474 0.605 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093820793 1206123243 /nfs/dbraw/zinc/12/32/43/1206123243.db2.gz OAJDMRPCLQQAQG-OWCLPIDISA-N 2 1 363.510 0.372 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)C1 ZINC001093820793 1206123250 /nfs/dbraw/zinc/12/32/50/1206123250.db2.gz OAJDMRPCLQQAQG-OWCLPIDISA-N 2 1 363.510 0.372 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093821187 1206123621 /nfs/dbraw/zinc/12/36/21/1206123621.db2.gz ULDSERYANPPFSM-OWCLPIDISA-N 2 1 363.510 0.372 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)C1 ZINC001093993182 1206165098 /nfs/dbraw/zinc/16/50/98/1206165098.db2.gz GMBYWFWEHSTFHJ-KBAYOESNSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)C1 ZINC001093993182 1206165103 /nfs/dbraw/zinc/16/51/03/1206165103.db2.gz GMBYWFWEHSTFHJ-KBAYOESNSA-N 2 1 363.506 0.713 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001094042254 1206174581 /nfs/dbraw/zinc/17/45/81/1206174581.db2.gz PLQBWSOAUCESJO-RRFJBIMHSA-N 2 1 365.478 0.742 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)nn1C ZINC001094113898 1206186360 /nfs/dbraw/zinc/18/63/60/1206186360.db2.gz JCAPSWZCIZHCNP-NVXWUHKLSA-N 2 1 363.506 0.635 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094166016 1206197703 /nfs/dbraw/zinc/19/77/03/1206197703.db2.gz IBEJUGUSUIFDDV-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c(C)n1 ZINC001094218969 1206202680 /nfs/dbraw/zinc/20/26/80/1206202680.db2.gz BCEXLCHOCMMXBB-FRFSOERESA-N 2 1 361.490 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094219026 1206202747 /nfs/dbraw/zinc/20/27/47/1206202747.db2.gz BMPGXJVXUYPJKB-FVQBIDKESA-N 2 1 360.506 0.828 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001094221513 1206203682 /nfs/dbraw/zinc/20/36/82/1206203682.db2.gz OIROFDLVVUWSSL-UKRRQHHQSA-N 2 1 360.466 0.472 20 0 FCADMP CC[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299898 1206215954 /nfs/dbraw/zinc/21/59/54/1206215954.db2.gz STELXSNVAPMLRL-CKEIUWERSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299898 1206215956 /nfs/dbraw/zinc/21/59/56/1206215956.db2.gz STELXSNVAPMLRL-CKEIUWERSA-N 2 1 364.494 0.516 20 0 FCADMP Cn1cncc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384931 1206222667 /nfs/dbraw/zinc/22/26/67/1206222667.db2.gz RMGJOGLUJQBVFM-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cncc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384931 1206222670 /nfs/dbraw/zinc/22/26/70/1206222670.db2.gz RMGJOGLUJQBVFM-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cncc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384931 1206222672 /nfs/dbraw/zinc/22/26/72/1206222672.db2.gz RMGJOGLUJQBVFM-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cncc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384931 1206222676 /nfs/dbraw/zinc/22/26/76/1206222676.db2.gz RMGJOGLUJQBVFM-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)CC1 ZINC001094503631 1206234434 /nfs/dbraw/zinc/23/44/34/1206234434.db2.gz LPPIGDJFDCJWDL-YLJYHZDGSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532279 1206236705 /nfs/dbraw/zinc/23/67/05/1206236705.db2.gz JYLMALUJAANBEK-KVSKMBFKSA-N 2 1 363.506 0.800 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001110159591 1206241527 /nfs/dbraw/zinc/24/15/27/1206241527.db2.gz RWWLYLJIYVJITP-NCOADZHNSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110159591 1206241531 /nfs/dbraw/zinc/24/15/31/1206241531.db2.gz RWWLYLJIYVJITP-NCOADZHNSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001110159591 1206241534 /nfs/dbraw/zinc/24/15/34/1206241534.db2.gz RWWLYLJIYVJITP-NCOADZHNSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H](CCCC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501758 1206249900 /nfs/dbraw/zinc/24/99/00/1206249900.db2.gz WJXOPAILFYBXMO-ZMSDIMECSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H](CCCC[NH2+]CCNC(=O)C1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501758 1206249902 /nfs/dbraw/zinc/24/99/02/1206249902.db2.gz WJXOPAILFYBXMO-ZMSDIMECSA-N 2 1 368.522 0.496 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(C4=NO[C@H]5C[NH2+]C[C@@H]45)n3)c2)CC1 ZINC001212628570 1206252677 /nfs/dbraw/zinc/25/26/77/1206252677.db2.gz CZTDGNAWKFRASH-CVEARBPZSA-N 2 1 368.441 0.806 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1=O ZINC001172044460 1206255853 /nfs/dbraw/zinc/25/58/53/1206255853.db2.gz UHDMDBAGMXZFKX-INIZCTEOSA-N 2 1 372.517 0.640 20 0 FCADMP CCN1CC[C@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1=O ZINC001172044460 1206255859 /nfs/dbraw/zinc/25/58/59/1206255859.db2.gz UHDMDBAGMXZFKX-INIZCTEOSA-N 2 1 372.517 0.640 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169136 1206258417 /nfs/dbraw/zinc/25/84/17/1206258417.db2.gz DLSTWLXFEKGDEO-ROUUACIJSA-N 2 1 372.513 0.964 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220575611 1224942771 /nfs/dbraw/zinc/94/27/71/1224942771.db2.gz YVOUGXQHDAYBQA-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220575611 1224942783 /nfs/dbraw/zinc/94/27/83/1224942783.db2.gz YVOUGXQHDAYBQA-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001178811679 1206365829 /nfs/dbraw/zinc/36/58/29/1206365829.db2.gz YERNDUKJIBZETP-RBSFLKMASA-N 2 1 367.498 0.256 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001178811679 1206365832 /nfs/dbraw/zinc/36/58/32/1206365832.db2.gz YERNDUKJIBZETP-RBSFLKMASA-N 2 1 367.498 0.256 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH+]2CC[C@@H]2C1 ZINC001180406384 1206395240 /nfs/dbraw/zinc/39/52/40/1206395240.db2.gz IOGCJMHUFWJJIM-FGTMMUONSA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001180406384 1206395241 /nfs/dbraw/zinc/39/52/41/1206395241.db2.gz IOGCJMHUFWJJIM-FGTMMUONSA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001180406384 1206395243 /nfs/dbraw/zinc/39/52/43/1206395243.db2.gz IOGCJMHUFWJJIM-FGTMMUONSA-N 2 1 357.454 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnnn1C ZINC001181873936 1206416513 /nfs/dbraw/zinc/41/65/13/1206416513.db2.gz HFIGDIXMCHXBGX-GZOSKZMVSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnnn1C ZINC001181873936 1206416514 /nfs/dbraw/zinc/41/65/14/1206416514.db2.gz HFIGDIXMCHXBGX-GZOSKZMVSA-N 2 1 364.494 0.108 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001182033084 1206419177 /nfs/dbraw/zinc/41/91/77/1206419177.db2.gz LCKIDEXHCZDNJF-UHFFFAOYSA-N 2 1 374.489 0.182 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001182032261 1206419248 /nfs/dbraw/zinc/41/92/48/1206419248.db2.gz SYMYQYKZRCBLRF-ROUUACIJSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)CC[N@H+]1C ZINC001182676635 1206441039 /nfs/dbraw/zinc/44/10/39/1206441039.db2.gz OZRDQGRNFRWBGC-DJIMGWMZSA-N 2 1 359.474 0.229 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCCCn3cncn3)C2)O1 ZINC001183582342 1206456933 /nfs/dbraw/zinc/45/69/33/1206456933.db2.gz VDTMNPWNNVKBOB-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCCCCn3cncn3)C2)O1 ZINC001183582342 1206456935 /nfs/dbraw/zinc/45/69/35/1206456935.db2.gz VDTMNPWNNVKBOB-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001185225182 1206475980 /nfs/dbraw/zinc/47/59/80/1206475980.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 1 373.497 0.801 20 0 FCADMP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185225182 1206475982 /nfs/dbraw/zinc/47/59/82/1206475982.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 1 373.497 0.801 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001185233749 1206476181 /nfs/dbraw/zinc/47/61/81/1206476181.db2.gz XGRKXKXVVQBHKU-OALUTQOASA-N 2 1 361.486 0.803 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001185233749 1206476183 /nfs/dbraw/zinc/47/61/83/1206476183.db2.gz XGRKXKXVVQBHKU-OALUTQOASA-N 2 1 361.486 0.803 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039570 1206490906 /nfs/dbraw/zinc/49/09/06/1206490906.db2.gz YIUAIUYABUJUAH-XYJFISCASA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039570 1206490908 /nfs/dbraw/zinc/49/09/08/1206490908.db2.gz YIUAIUYABUJUAH-XYJFISCASA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039570 1206490910 /nfs/dbraw/zinc/49/09/10/1206490910.db2.gz YIUAIUYABUJUAH-XYJFISCASA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001186039570 1206490912 /nfs/dbraw/zinc/49/09/12/1206490912.db2.gz YIUAIUYABUJUAH-XYJFISCASA-N 2 1 363.433 0.556 20 0 FCADMP CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971522 1207405888 /nfs/dbraw/zinc/40/58/88/1207405888.db2.gz OVLOVQFWMMYAON-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971522 1207405893 /nfs/dbraw/zinc/40/58/93/1207405893.db2.gz OVLOVQFWMMYAON-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971522 1207405896 /nfs/dbraw/zinc/40/58/96/1207405896.db2.gz OVLOVQFWMMYAON-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971522 1207405901 /nfs/dbraw/zinc/40/59/01/1207405901.db2.gz OVLOVQFWMMYAON-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971522 1207405904 /nfs/dbraw/zinc/40/59/04/1207405904.db2.gz OVLOVQFWMMYAON-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001187958212 1207405926 /nfs/dbraw/zinc/40/59/26/1207405926.db2.gz KRRIEZSJLDUEHH-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001187958212 1207405930 /nfs/dbraw/zinc/40/59/30/1207405930.db2.gz KRRIEZSJLDUEHH-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001187958212 1207405932 /nfs/dbraw/zinc/40/59/32/1207405932.db2.gz KRRIEZSJLDUEHH-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[NH+]1C ZINC001187958212 1207405936 /nfs/dbraw/zinc/40/59/36/1207405936.db2.gz KRRIEZSJLDUEHH-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC4CC4)C[C@H]32)CC[NH+]1C ZINC001187958212 1207405941 /nfs/dbraw/zinc/40/59/41/1207405941.db2.gz KRRIEZSJLDUEHH-BZZMCLGOSA-N 2 1 362.518 0.728 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190029 1207431095 /nfs/dbraw/zinc/43/10/95/1207431095.db2.gz UJGGCKDTZVPCEI-RCCFBDPRSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190029 1207431097 /nfs/dbraw/zinc/43/10/97/1207431097.db2.gz UJGGCKDTZVPCEI-RCCFBDPRSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190029 1207431098 /nfs/dbraw/zinc/43/10/98/1207431098.db2.gz UJGGCKDTZVPCEI-RCCFBDPRSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190029 1207431099 /nfs/dbraw/zinc/43/10/99/1207431099.db2.gz UJGGCKDTZVPCEI-RCCFBDPRSA-N 2 1 364.534 0.975 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405743 1207454694 /nfs/dbraw/zinc/45/46/94/1207454694.db2.gz PLBVUHYQQWQNHD-YXJHDRRASA-N 2 1 358.442 0.796 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610023 1207466845 /nfs/dbraw/zinc/46/68/45/1207466845.db2.gz JVPZIKAJDVOXLH-KZIZELGASA-N 2 1 363.502 0.807 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609498 1207466866 /nfs/dbraw/zinc/46/68/66/1207466866.db2.gz FCASNYPNIQYFLC-VVJOJPPRSA-N 2 1 363.502 0.809 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC4CC4)C[C@H]32)CC[N@H+]1C ZINC001188931584 1207489091 /nfs/dbraw/zinc/48/90/91/1207489091.db2.gz FXPKLNCERYFESS-LEUOFYLZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001188931584 1207489094 /nfs/dbraw/zinc/48/90/94/1207489094.db2.gz FXPKLNCERYFESS-LEUOFYLZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@H]32)CC[N@H+]1C ZINC001188931584 1207489098 /nfs/dbraw/zinc/48/90/98/1207489098.db2.gz FXPKLNCERYFESS-LEUOFYLZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC[NH+]1C ZINC001188931584 1207489100 /nfs/dbraw/zinc/48/91/00/1207489100.db2.gz FXPKLNCERYFESS-LEUOFYLZSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC[NH+]1C ZINC001188931584 1207489103 /nfs/dbraw/zinc/48/91/03/1207489103.db2.gz FXPKLNCERYFESS-LEUOFYLZSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001188985525 1207494619 /nfs/dbraw/zinc/49/46/19/1207494619.db2.gz JGQRVXTYSYBMSC-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001188985525 1207494622 /nfs/dbraw/zinc/49/46/22/1207494622.db2.gz JGQRVXTYSYBMSC-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189424978 1207547588 /nfs/dbraw/zinc/54/75/88/1207547588.db2.gz HACPIKJSEOXQMC-GBESFXJTSA-N 2 1 361.486 0.902 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001189477141 1207553043 /nfs/dbraw/zinc/55/30/43/1207553043.db2.gz DUQDCULGLMHSEL-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819986 1207605725 /nfs/dbraw/zinc/60/57/25/1207605725.db2.gz IVLIOYIHJBQGFZ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819986 1207605727 /nfs/dbraw/zinc/60/57/27/1207605727.db2.gz IVLIOYIHJBQGFZ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801790 1207609695 /nfs/dbraw/zinc/60/96/95/1207609695.db2.gz MZEPGDXZWHJZHG-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801790 1207609702 /nfs/dbraw/zinc/60/97/02/1207609702.db2.gz MZEPGDXZWHJZHG-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189912803 1207620105 /nfs/dbraw/zinc/62/01/05/1207620105.db2.gz FSVYARIUPGSQIE-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189912803 1207620107 /nfs/dbraw/zinc/62/01/07/1207620107.db2.gz FSVYARIUPGSQIE-JKSUJKDBSA-N 2 1 364.490 0.400 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157220 1207655244 /nfs/dbraw/zinc/65/52/44/1207655244.db2.gz BUIDPVJCLBPSLH-RCCFBDPRSA-N 2 1 371.485 0.182 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157220 1207655251 /nfs/dbraw/zinc/65/52/51/1207655251.db2.gz BUIDPVJCLBPSLH-RCCFBDPRSA-N 2 1 371.485 0.182 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157220 1207655260 /nfs/dbraw/zinc/65/52/60/1207655260.db2.gz BUIDPVJCLBPSLH-RCCFBDPRSA-N 2 1 371.485 0.182 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157220 1207655270 /nfs/dbraw/zinc/65/52/70/1207655270.db2.gz BUIDPVJCLBPSLH-RCCFBDPRSA-N 2 1 371.485 0.182 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4cccnc4)C[C@H]32)C1 ZINC001190157220 1207655276 /nfs/dbraw/zinc/65/52/76/1207655276.db2.gz BUIDPVJCLBPSLH-RCCFBDPRSA-N 2 1 371.485 0.182 20 0 FCADMP CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190169220 1207655960 /nfs/dbraw/zinc/65/59/60/1207655960.db2.gz WUIGUJUIIFMDPZ-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O)[NH+](C)C ZINC001194086836 1207918022 /nfs/dbraw/zinc/91/80/22/1207918022.db2.gz XBOARFHXAMHRQB-BRWVUGGUSA-N 2 1 362.474 0.048 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001194235044 1207925813 /nfs/dbraw/zinc/92/58/13/1207925813.db2.gz CYHFDWOECHBNBV-HZPDHXFCSA-N 2 1 362.474 0.177 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001194235044 1207925816 /nfs/dbraw/zinc/92/58/16/1207925816.db2.gz CYHFDWOECHBNBV-HZPDHXFCSA-N 2 1 362.474 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001194235044 1207925819 /nfs/dbraw/zinc/92/58/19/1207925819.db2.gz CYHFDWOECHBNBV-HZPDHXFCSA-N 2 1 362.474 0.177 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001194235044 1207925821 /nfs/dbraw/zinc/92/58/21/1207925821.db2.gz CYHFDWOECHBNBV-HZPDHXFCSA-N 2 1 362.474 0.177 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194299715 1207930525 /nfs/dbraw/zinc/93/05/25/1207930525.db2.gz VMROYGOKCGOQJB-QZTJIDSGSA-N 2 1 362.474 0.496 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)C1CC1 ZINC001194430313 1207949834 /nfs/dbraw/zinc/94/98/34/1207949834.db2.gz AOENFYZBAJYDLY-KZNAEPCWSA-N 2 1 358.442 0.924 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195005997 1207988700 /nfs/dbraw/zinc/98/87/00/1207988700.db2.gz BXBZBYJGOYKAKE-BZUAXINKSA-N 2 1 368.522 0.456 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195005997 1207988705 /nfs/dbraw/zinc/98/87/05/1207988705.db2.gz BXBZBYJGOYKAKE-BZUAXINKSA-N 2 1 368.522 0.456 20 0 FCADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195707916 1208036152 /nfs/dbraw/zinc/03/61/52/1208036152.db2.gz AJGMKVTWUGQJIN-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195707916 1208036153 /nfs/dbraw/zinc/03/61/53/1208036153.db2.gz AJGMKVTWUGQJIN-KZNAEPCWSA-N 2 1 365.474 0.232 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001195700403 1208036209 /nfs/dbraw/zinc/03/62/09/1208036209.db2.gz DORFTWBKTRSYKI-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708953 1208036890 /nfs/dbraw/zinc/03/68/90/1208036890.db2.gz UIGQDKQGNHTNDS-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708953 1208036893 /nfs/dbraw/zinc/03/68/93/1208036893.db2.gz UIGQDKQGNHTNDS-HZPDHXFCSA-N 2 1 365.474 0.577 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001195900756 1208044627 /nfs/dbraw/zinc/04/46/27/1208044627.db2.gz QPJRMMLWSHCIAM-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C[C@@H](O)COCCOC)CC2)CC[NH+]1C ZINC001195900756 1208044631 /nfs/dbraw/zinc/04/46/31/1208044631.db2.gz QPJRMMLWSHCIAM-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)C1 ZINC001196177053 1208063645 /nfs/dbraw/zinc/06/36/45/1208063645.db2.gz RKZPIDVAHJLLFD-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001196177053 1208063651 /nfs/dbraw/zinc/06/36/51/1208063651.db2.gz RKZPIDVAHJLLFD-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001196177053 1208063653 /nfs/dbraw/zinc/06/36/53/1208063653.db2.gz RKZPIDVAHJLLFD-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001196177053 1208063655 /nfs/dbraw/zinc/06/36/55/1208063655.db2.gz RKZPIDVAHJLLFD-GPMSIDNRSA-N 2 1 371.497 0.787 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O)CC(C)(C)C ZINC001196199418 1208064401 /nfs/dbraw/zinc/06/44/01/1208064401.db2.gz GBONUXOCFYBROX-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@H]1O)[NH+](C)C ZINC001196267902 1208069745 /nfs/dbraw/zinc/06/97/45/1208069745.db2.gz JAJOXZPOMQYNSO-FGTMMUONSA-N 2 1 365.474 0.576 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@@H+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001196269311 1208069950 /nfs/dbraw/zinc/06/99/50/1208069950.db2.gz SKXNAYTXXMYPOB-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001196667302 1208100368 /nfs/dbraw/zinc/10/03/68/1208100368.db2.gz NMRLEFGHPKCHOO-GVDBMIGSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001196667302 1208100371 /nfs/dbraw/zinc/10/03/71/1208100371.db2.gz NMRLEFGHPKCHOO-GVDBMIGSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804472 1208107956 /nfs/dbraw/zinc/10/79/56/1208107956.db2.gz ZWJBVPNSHLWXAF-IAGOWNOFSA-N 2 1 367.494 0.035 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c(C)c1 ZINC001196953608 1208124615 /nfs/dbraw/zinc/12/46/15/1208124615.db2.gz FYTJRTPJQNJBQT-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c(C)c1 ZINC001196953608 1208124618 /nfs/dbraw/zinc/12/46/18/1208124618.db2.gz FYTJRTPJQNJBQT-RTBURBONSA-N 2 1 361.486 0.687 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001196954212 1208125649 /nfs/dbraw/zinc/12/56/49/1208125649.db2.gz SRJIVRNBJMCBSA-GUDVDZBRSA-N 2 1 359.470 0.558 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001196954212 1208125653 /nfs/dbraw/zinc/12/56/53/1208125653.db2.gz SRJIVRNBJMCBSA-GUDVDZBRSA-N 2 1 359.470 0.558 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196954525 1208125767 /nfs/dbraw/zinc/12/57/67/1208125767.db2.gz ZJSSBOIFVSHIKJ-QZTJIDSGSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196954525 1208125770 /nfs/dbraw/zinc/12/57/70/1208125770.db2.gz ZJSSBOIFVSHIKJ-QZTJIDSGSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197048892 1208130829 /nfs/dbraw/zinc/13/08/29/1208130829.db2.gz IIUICTGHBKVBCP-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001197048892 1208130833 /nfs/dbraw/zinc/13/08/33/1208130833.db2.gz IIUICTGHBKVBCP-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320386 1208152955 /nfs/dbraw/zinc/15/29/55/1208152955.db2.gz YRAUFPLWXQXGBS-QZTJIDSGSA-N 2 1 371.522 0.321 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001198047966 1208213462 /nfs/dbraw/zinc/21/34/62/1208213462.db2.gz PVSLIFCJUGKLSP-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001198047966 1208213464 /nfs/dbraw/zinc/21/34/64/1208213464.db2.gz PVSLIFCJUGKLSP-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001198047966 1208213466 /nfs/dbraw/zinc/21/34/66/1208213466.db2.gz PVSLIFCJUGKLSP-QZTJIDSGSA-N 2 1 361.486 0.667 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029667 1208215285 /nfs/dbraw/zinc/21/52/85/1208215285.db2.gz UTUSNFVOLAEMEX-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029667 1208215288 /nfs/dbraw/zinc/21/52/88/1208215288.db2.gz UTUSNFVOLAEMEX-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029667 1208215293 /nfs/dbraw/zinc/21/52/93/1208215293.db2.gz UTUSNFVOLAEMEX-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029667 1208215297 /nfs/dbraw/zinc/21/52/97/1208215297.db2.gz UTUSNFVOLAEMEX-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198038213 1208216018 /nfs/dbraw/zinc/21/60/18/1208216018.db2.gz KTGQHUCFYVYFBV-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198038213 1208216020 /nfs/dbraw/zinc/21/60/20/1208216020.db2.gz KTGQHUCFYVYFBV-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198038213 1208216023 /nfs/dbraw/zinc/21/60/23/1208216023.db2.gz KTGQHUCFYVYFBV-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198038213 1208216025 /nfs/dbraw/zinc/21/60/25/1208216025.db2.gz KTGQHUCFYVYFBV-RCCFBDPRSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038238 1208216136 /nfs/dbraw/zinc/21/61/36/1208216136.db2.gz LTTQESGGMVPNDG-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038238 1208216139 /nfs/dbraw/zinc/21/61/39/1208216139.db2.gz LTTQESGGMVPNDG-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038238 1208216143 /nfs/dbraw/zinc/21/61/43/1208216143.db2.gz LTTQESGGMVPNDG-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001198038238 1208216149 /nfs/dbraw/zinc/21/61/49/1208216149.db2.gz LTTQESGGMVPNDG-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690031 1208278376 /nfs/dbraw/zinc/27/83/76/1208278376.db2.gz SCCFKHDAFDUSEW-QXAKKESOSA-N 2 1 361.486 0.625 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001198670981 1208281286 /nfs/dbraw/zinc/28/12/86/1208281286.db2.gz AEQKUGAEIPMMDH-GUDVDZBRSA-N 2 1 361.486 0.237 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001198670981 1208281288 /nfs/dbraw/zinc/28/12/88/1208281288.db2.gz AEQKUGAEIPMMDH-GUDVDZBRSA-N 2 1 361.486 0.237 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199057456 1208314529 /nfs/dbraw/zinc/31/45/29/1208314529.db2.gz KBJLHHOMDGETMT-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001199111771 1208321582 /nfs/dbraw/zinc/32/15/82/1208321582.db2.gz LLKFORBJACJEEY-KZNAEPCWSA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001199111771 1208321585 /nfs/dbraw/zinc/32/15/85/1208321585.db2.gz LLKFORBJACJEEY-KZNAEPCWSA-N 2 1 367.465 0.231 20 0 FCADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)c1 ZINC001220764640 1225060342 /nfs/dbraw/zinc/06/03/42/1225060342.db2.gz QYPMJUOLVPNLTO-MOPGFXCFSA-N 2 1 363.502 0.851 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001220764786 1225060988 /nfs/dbraw/zinc/06/09/88/1225060988.db2.gz WOANDWFAMYNCLN-SQNIBIBYSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001220764786 1225060993 /nfs/dbraw/zinc/06/09/93/1225060993.db2.gz WOANDWFAMYNCLN-SQNIBIBYSA-N 2 1 365.449 0.553 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206089 1208669604 /nfs/dbraw/zinc/66/96/04/1208669604.db2.gz KVDGVHFTXPEFHQ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206089 1208669611 /nfs/dbraw/zinc/66/96/11/1208669611.db2.gz KVDGVHFTXPEFHQ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001489206089 1208669614 /nfs/dbraw/zinc/66/96/14/1208669614.db2.gz KVDGVHFTXPEFHQ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207290 1208671727 /nfs/dbraw/zinc/67/17/27/1208671727.db2.gz UCLKNKCEHRJHJI-SQNIBIBYSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207290 1208671736 /nfs/dbraw/zinc/67/17/36/1208671736.db2.gz UCLKNKCEHRJHJI-SQNIBIBYSA-N 2 1 363.506 0.366 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207290 1208671741 /nfs/dbraw/zinc/67/17/41/1208671741.db2.gz UCLKNKCEHRJHJI-SQNIBIBYSA-N 2 1 363.506 0.366 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001220807191 1225082129 /nfs/dbraw/zinc/08/21/29/1225082129.db2.gz QJHJHUXVNPWELJ-SJORKVTESA-N 2 1 363.506 0.541 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001220807191 1225082134 /nfs/dbraw/zinc/08/21/34/1225082134.db2.gz QJHJHUXVNPWELJ-SJORKVTESA-N 2 1 363.506 0.541 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1O ZINC001489382287 1208804767 /nfs/dbraw/zinc/80/47/67/1208804767.db2.gz ZCELBRIAPXUUED-HZPDHXFCSA-N 2 1 370.538 0.384 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O ZINC001489382287 1208804770 /nfs/dbraw/zinc/80/47/70/1208804770.db2.gz ZCELBRIAPXUUED-HZPDHXFCSA-N 2 1 370.538 0.384 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1O ZINC001489382287 1208804773 /nfs/dbraw/zinc/80/47/73/1208804773.db2.gz ZCELBRIAPXUUED-HZPDHXFCSA-N 2 1 370.538 0.384 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220872078 1225118771 /nfs/dbraw/zinc/11/87/71/1225118771.db2.gz JJIFGHBXZMDYTN-MRXNPFEDSA-N 2 1 356.470 0.343 20 0 FCADMP Cc1ccc([C@H](C(=O)NCCN2CC[NH2+]CC2=O)N2CCC([NH3+])CC2)cc1 ZINC001220874718 1225120051 /nfs/dbraw/zinc/12/00/51/1225120051.db2.gz NIEDQELGNHZRSE-LJQANCHMSA-N 2 1 373.501 0.007 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC001220911680 1225135936 /nfs/dbraw/zinc/13/59/36/1225135936.db2.gz SQIYCMUDYBUWKN-UHFFFAOYSA-N 2 1 364.465 0.820 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)cc1=O ZINC001110662321 1209586824 /nfs/dbraw/zinc/58/68/24/1209586824.db2.gz LHNHCODTVOAJAB-VXNCWWDNSA-N 2 1 358.486 0.947 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)CCC1 ZINC001110664969 1209591590 /nfs/dbraw/zinc/59/15/90/1209591590.db2.gz GPEOQQMWNBFWMS-KFWWJZLASA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CCC1 ZINC001110664969 1209591593 /nfs/dbraw/zinc/59/15/93/1209591593.db2.gz GPEOQQMWNBFWMS-KFWWJZLASA-N 2 1 362.474 0.341 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673624 1209607937 /nfs/dbraw/zinc/60/79/37/1209607937.db2.gz KAYYTQHYVMHGGX-TVFCKZIOSA-N 2 1 369.506 0.216 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000861574423 1209871841 /nfs/dbraw/zinc/87/18/41/1209871841.db2.gz UKCVNLDTCJEHQO-RHSMWYFYSA-N 2 1 361.490 0.873 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861573572 1209871883 /nfs/dbraw/zinc/87/18/83/1209871883.db2.gz JLXKVNKQAXUCCE-KZNAEPCWSA-N 2 1 366.506 0.650 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683826 1209874134 /nfs/dbraw/zinc/87/41/34/1209874134.db2.gz BDKPTBRHEQJOAA-HKUYNNGSSA-N 2 1 362.474 0.253 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000861760945 1209880499 /nfs/dbraw/zinc/88/04/99/1209880499.db2.gz RYYFPVKNKNHURY-PXNSSMCTSA-N 2 1 374.485 0.119 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000863832561 1209953242 /nfs/dbraw/zinc/95/32/42/1209953242.db2.gz ZWZRHEMMGMCABF-HNNXBMFYSA-N 2 1 370.494 0.112 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000863832561 1209953245 /nfs/dbraw/zinc/95/32/45/1209953245.db2.gz ZWZRHEMMGMCABF-HNNXBMFYSA-N 2 1 370.494 0.112 20 0 FCADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864906111 1209967816 /nfs/dbraw/zinc/96/78/16/1209967816.db2.gz LTJXIVPOFJXAKL-OVYGPGRDSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000864906111 1209967818 /nfs/dbraw/zinc/96/78/18/1209967818.db2.gz LTJXIVPOFJXAKL-OVYGPGRDSA-N 2 1 366.481 0.811 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](F)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000864906111 1209967822 /nfs/dbraw/zinc/96/78/22/1209967822.db2.gz LTJXIVPOFJXAKL-OVYGPGRDSA-N 2 1 366.481 0.811 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001220994558 1225180118 /nfs/dbraw/zinc/18/01/18/1225180118.db2.gz WTQGEBSOAWYNHS-MSOLQXFVSA-N 2 1 363.506 0.390 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375728 1210056329 /nfs/dbraw/zinc/05/63/29/1210056329.db2.gz VRPYBTMXWOBKQB-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375728 1210056334 /nfs/dbraw/zinc/05/63/34/1210056334.db2.gz VRPYBTMXWOBKQB-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC[C@@H]21 ZINC000868375728 1210056338 /nfs/dbraw/zinc/05/63/38/1210056338.db2.gz VRPYBTMXWOBKQB-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP [NH3+][C@H]1CC[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000870876461 1210121070 /nfs/dbraw/zinc/12/10/70/1210121070.db2.gz CJHKEYKJJCADBI-IYARVYRRSA-N 2 1 358.486 0.965 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063046 1225205193 /nfs/dbraw/zinc/20/51/93/1225205193.db2.gz KAFFHOTYTDTMSG-OALUTQOASA-N 2 1 359.518 0.518 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063046 1225205195 /nfs/dbraw/zinc/20/51/95/1225205195.db2.gz KAFFHOTYTDTMSG-OALUTQOASA-N 3 1 359.518 0.518 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063046 1225205197 /nfs/dbraw/zinc/20/51/97/1225205197.db2.gz KAFFHOTYTDTMSG-OALUTQOASA-N 3 1 359.518 0.518 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221061764 1225203674 /nfs/dbraw/zinc/20/36/74/1225203674.db2.gz CZEMKPSNSJFVBB-MSOLQXFVSA-N 2 1 365.474 0.186 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221061764 1225203679 /nfs/dbraw/zinc/20/36/79/1225203679.db2.gz CZEMKPSNSJFVBB-MSOLQXFVSA-N 2 1 365.474 0.186 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000888680436 1210393491 /nfs/dbraw/zinc/39/34/91/1210393491.db2.gz KOBNEDHHRCSADS-WMLDXEAASA-N 2 1 359.474 0.935 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000888680436 1210393495 /nfs/dbraw/zinc/39/34/95/1210393495.db2.gz KOBNEDHHRCSADS-WMLDXEAASA-N 2 1 359.474 0.935 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000876721948 1210424707 /nfs/dbraw/zinc/42/47/07/1210424707.db2.gz NCOYFUAABUMOMI-OAHLLOKOSA-N 2 1 362.478 0.010 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[NH2+]C[C@H]3C(F)F)cc21 ZINC000876853195 1210432466 /nfs/dbraw/zinc/43/24/66/1210432466.db2.gz JPKSDQMRKXKTKX-AWEZNQCLSA-N 2 1 367.400 0.983 20 0 FCADMP COc1cccc(C2(NC(=O)[C@H]3C[NH2+]Cc4ccnn43)CC[NH2+]CC2)c1 ZINC001221094571 1225219493 /nfs/dbraw/zinc/21/94/93/1225219493.db2.gz ZJKNACXQAPCAIM-QGZVFWFLSA-N 2 1 355.442 0.931 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000888887438 1210594103 /nfs/dbraw/zinc/59/41/03/1210594103.db2.gz NXIFIGLLYXXQKV-HZPDHXFCSA-N 2 1 369.510 0.249 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000888887436 1210594190 /nfs/dbraw/zinc/59/41/90/1210594190.db2.gz NXIFIGLLYXXQKV-CVEARBPZSA-N 2 1 369.510 0.249 20 0 FCADMP O=C(N1CCNCC1)N1CCN(C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883436870 1210667623 /nfs/dbraw/zinc/66/76/23/1210667623.db2.gz CYVLHPFMGXJBOD-QGZVFWFLSA-N 2 1 366.506 0.605 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000883603708 1210673243 /nfs/dbraw/zinc/67/32/43/1210673243.db2.gz BMAZOOWBZIKPIH-SJLPKXTDSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883607105 1210674457 /nfs/dbraw/zinc/67/44/57/1210674457.db2.gz LGQQMKKKQGJMCH-WMLDXEAASA-N 2 1 359.474 0.621 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611489 1210674950 /nfs/dbraw/zinc/67/49/50/1210674950.db2.gz ZNBPAELXTBBXBF-YOEHRIQHSA-N 2 1 359.474 0.634 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611486 1210675333 /nfs/dbraw/zinc/67/53/33/1210675333.db2.gz ZNBPAELXTBBXBF-PBHICJAKSA-N 2 1 359.474 0.634 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC[N@@H+]1CC(C)(C)O ZINC000883659774 1210682614 /nfs/dbraw/zinc/68/26/14/1210682614.db2.gz SKYSLSNIHKDIJM-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC[N@H+]1CC(C)(C)O ZINC000883659774 1210682616 /nfs/dbraw/zinc/68/26/16/1210682616.db2.gz SKYSLSNIHKDIJM-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884220117 1210724017 /nfs/dbraw/zinc/72/40/17/1210724017.db2.gz GUJXZYVKOGKIMN-ZWKOTPCHSA-N 2 1 373.501 0.864 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221586 1210724072 /nfs/dbraw/zinc/72/40/72/1210724072.db2.gz VNNLDTVNEVHLLL-KRWDZBQOSA-N 2 1 372.517 0.390 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221586 1210724075 /nfs/dbraw/zinc/72/40/75/1210724075.db2.gz VNNLDTVNEVHLLL-KRWDZBQOSA-N 2 1 372.517 0.390 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884218338 1210724094 /nfs/dbraw/zinc/72/40/94/1210724094.db2.gz LVTLBSSBJIRTDD-KRWDZBQOSA-N 2 1 372.469 0.971 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000884218280 1210724200 /nfs/dbraw/zinc/72/42/00/1210724200.db2.gz JZEWCYQQPWUVKH-UHFFFAOYSA-N 2 1 362.474 0.567 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000884316273 1210730141 /nfs/dbraw/zinc/73/01/41/1210730141.db2.gz NVAXEQFFENNFHF-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000884337567 1210730412 /nfs/dbraw/zinc/73/04/12/1210730412.db2.gz NPOGQHONHOPMMJ-KRWDZBQOSA-N 2 1 352.442 0.673 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000884489296 1210738572 /nfs/dbraw/zinc/73/85/72/1210738572.db2.gz UWHXUBJVMPIXCZ-WAOWUJCRSA-N 2 1 370.497 0.835 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000884504021 1210740201 /nfs/dbraw/zinc/74/02/01/1210740201.db2.gz ZEEFKJSQUHZDMF-QGZVFWFLSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532781 1210745291 /nfs/dbraw/zinc/74/52/91/1210745291.db2.gz QDTYEPGJFSPKOW-LEUOFYLZSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884555458 1210750114 /nfs/dbraw/zinc/75/01/14/1210750114.db2.gz RRHNMNPGSGKUHH-MZMPZRCHSA-N 2 1 356.470 0.416 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884560202 1210751744 /nfs/dbraw/zinc/75/17/44/1210751744.db2.gz QIUGELYEVPYTLE-ROUUACIJSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884560202 1210751751 /nfs/dbraw/zinc/75/17/51/1210751751.db2.gz QIUGELYEVPYTLE-ROUUACIJSA-N 2 1 356.470 0.514 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884577384 1210755162 /nfs/dbraw/zinc/75/51/62/1210755162.db2.gz DOFIQAUOJBYGLC-CRAIPNDOSA-N 2 1 358.486 0.604 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884577324 1210755814 /nfs/dbraw/zinc/75/58/14/1210755814.db2.gz CJFNPLLLAOCSJD-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884603117 1210759870 /nfs/dbraw/zinc/75/98/70/1210759870.db2.gz BYOSYGBJNJGIHX-HNAYVOBHSA-N 2 1 368.522 0.437 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000884601424 1210760103 /nfs/dbraw/zinc/76/01/03/1210760103.db2.gz LEYDDLQAZMSBLB-BMFZPTHFSA-N 2 1 362.474 0.894 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884604594 1210760510 /nfs/dbraw/zinc/76/05/10/1210760510.db2.gz LOSQIVIINBXSEC-LNNXQNCSSA-N 2 1 370.497 0.691 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(N2CCCC2)[nH+]1 ZINC000884622080 1210764555 /nfs/dbraw/zinc/76/45/55/1210764555.db2.gz DKBJHVCAIRZWCA-DLBZAZTESA-N 2 1 371.485 0.959 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000884623504 1210765065 /nfs/dbraw/zinc/76/50/65/1210765065.db2.gz FVNWWKPCRSIRII-HOCLYGCPSA-N 2 1 364.490 0.028 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884627370 1210765736 /nfs/dbraw/zinc/76/57/36/1210765736.db2.gz NDCDJJJBASUQHV-YOEHRIQHSA-N 2 1 356.470 0.418 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884626708 1210765788 /nfs/dbraw/zinc/76/57/88/1210765788.db2.gz SBVMXLLGKGFPSR-OAGGEKHMSA-N 2 1 364.490 0.004 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000884640665 1210770660 /nfs/dbraw/zinc/77/06/60/1210770660.db2.gz LUXYERIKSKJFJT-QGZVFWFLSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)CN1CC[NH+](C)CC1 ZINC000884669975 1210775407 /nfs/dbraw/zinc/77/54/07/1210775407.db2.gz LVEQPDDKNUUJJN-MRXNPFEDSA-N 2 1 367.538 0.106 20 0 FCADMP O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884674948 1210777431 /nfs/dbraw/zinc/77/74/31/1210777431.db2.gz MZLRZOVXGNTXOJ-ZWKOTPCHSA-N 2 1 370.497 0.835 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884678653 1210778370 /nfs/dbraw/zinc/77/83/70/1210778370.db2.gz HQMIVBORZNKMGX-KSZLIROESA-N 2 1 356.470 0.445 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)c1 ZINC000884679167 1210779059 /nfs/dbraw/zinc/77/90/59/1210779059.db2.gz YECHHLMHBILUFG-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)c1 ZINC000884679167 1210779063 /nfs/dbraw/zinc/77/90/63/1210779063.db2.gz YECHHLMHBILUFG-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000884681716 1210779630 /nfs/dbraw/zinc/77/96/30/1210779630.db2.gz DIUZEHMMBNKTNW-QZTJIDSGSA-N 2 1 358.486 0.944 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884687450 1210780931 /nfs/dbraw/zinc/78/09/31/1210780931.db2.gz WDWFQBBDSIRBAV-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884687450 1210780937 /nfs/dbraw/zinc/78/09/37/1210780937.db2.gz WDWFQBBDSIRBAV-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688525 1210781145 /nfs/dbraw/zinc/78/11/45/1210781145.db2.gz GQPXDFLVQAMYIZ-KBAYOESNSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000884689069 1210781812 /nfs/dbraw/zinc/78/18/12/1210781812.db2.gz YGIUHNXVTTUQEJ-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000884689069 1210781815 /nfs/dbraw/zinc/78/18/15/1210781815.db2.gz YGIUHNXVTTUQEJ-ROUUACIJSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884706572 1210785122 /nfs/dbraw/zinc/78/51/22/1210785122.db2.gz HPUSGZKKWYRYPJ-OLMNPRSZSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000884715615 1210785633 /nfs/dbraw/zinc/78/56/33/1210785633.db2.gz YUBDAQVFMSEUCE-WBVHZDCISA-N 2 1 358.486 0.868 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721118 1210788475 /nfs/dbraw/zinc/78/84/75/1210788475.db2.gz AUSFCQOSGKSLCM-LPHOPBHVSA-N 2 1 370.497 0.907 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722022 1210788864 /nfs/dbraw/zinc/78/88/64/1210788864.db2.gz DEKRXSVAABHTCF-DZGCQCFKSA-N 2 1 368.428 0.581 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722022 1210788870 /nfs/dbraw/zinc/78/88/70/1210788870.db2.gz DEKRXSVAABHTCF-DZGCQCFKSA-N 2 1 368.428 0.581 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)cc1 ZINC000884752813 1210792629 /nfs/dbraw/zinc/79/26/29/1210792629.db2.gz ZJSWDHDXPTUVFI-KRWDZBQOSA-N 2 1 358.486 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834479 1210800304 /nfs/dbraw/zinc/80/03/04/1210800304.db2.gz XCKUJOULTQMWAL-LULLPPNCSA-N 2 1 370.497 0.834 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000884833584 1210800334 /nfs/dbraw/zinc/80/03/34/1210800334.db2.gz MMRVDYPUZXWAJT-WDSOQIARSA-N 2 1 372.513 0.939 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835242 1210800535 /nfs/dbraw/zinc/80/05/35/1210800535.db2.gz NMLKMHKNAXDGND-LZLYRXPVSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884833080 1210800570 /nfs/dbraw/zinc/80/05/70/1210800570.db2.gz FVWRSDLQLPGGRB-NJAFHUGGSA-N 2 1 374.485 0.057 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884890120 1210802896 /nfs/dbraw/zinc/80/28/96/1210802896.db2.gz PZNMSZCNNRXFIK-MSOLQXFVSA-N 2 1 360.502 0.863 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000884890352 1210803166 /nfs/dbraw/zinc/80/31/66/1210803166.db2.gz SJBPMIPXKHAKTF-GOSISDBHSA-N 2 1 358.486 0.617 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000884984167 1210806791 /nfs/dbraw/zinc/80/67/91/1210806791.db2.gz RKANYPUETSFPDC-SFHVURJKSA-N 2 1 374.485 0.134 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000884984167 1210806792 /nfs/dbraw/zinc/80/67/92/1210806792.db2.gz RKANYPUETSFPDC-SFHVURJKSA-N 2 1 374.485 0.134 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000884983464 1210807124 /nfs/dbraw/zinc/80/71/24/1210807124.db2.gz SHVVYRIVTKXBBA-FXAWDEMLSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000884985779 1210807298 /nfs/dbraw/zinc/80/72/98/1210807298.db2.gz APFVNPNCTKRDMQ-GNZRSQJKSA-N 2 1 373.501 0.934 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000885009866 1210807809 /nfs/dbraw/zinc/80/78/09/1210807809.db2.gz FMNCVEJQHQHPIT-BJWYYQGGSA-N 2 1 371.485 0.685 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000885018252 1210809039 /nfs/dbraw/zinc/80/90/39/1210809039.db2.gz LGYZUORMBGRJPA-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000885018252 1210809040 /nfs/dbraw/zinc/80/90/40/1210809040.db2.gz LGYZUORMBGRJPA-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137883 1210811888 /nfs/dbraw/zinc/81/18/88/1210811888.db2.gz KPLQCHNUPMGYMJ-CABCVRRESA-N 2 1 366.506 0.250 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885157728 1210813573 /nfs/dbraw/zinc/81/35/73/1210813573.db2.gz QUHBTMDIRPHATR-LPHOPBHVSA-N 2 1 372.513 0.911 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885162623 1210813916 /nfs/dbraw/zinc/81/39/16/1210813916.db2.gz QJIOGLSDAJVHQD-GUDVDZBRSA-N 2 1 370.497 0.760 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885292141 1210817604 /nfs/dbraw/zinc/81/76/04/1210817604.db2.gz RLCQLWDOHOLBJU-HUUCEWRRSA-N 2 1 372.460 0.538 20 0 FCADMP CCN(C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000886993709 1210842125 /nfs/dbraw/zinc/84/21/25/1210842125.db2.gz JTCDMTSINKIGEX-SFHVURJKSA-N 2 1 373.501 0.977 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887068287 1210845041 /nfs/dbraw/zinc/84/50/41/1210845041.db2.gz IUEWERYWTACZLR-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887067933 1210845044 /nfs/dbraw/zinc/84/50/44/1210845044.db2.gz BYZAPWITFODNBW-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083340 1210875702 /nfs/dbraw/zinc/87/57/02/1210875702.db2.gz DPWGNKBZAPTKTR-WBVHZDCISA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000887632299 1210883899 /nfs/dbraw/zinc/88/38/99/1210883899.db2.gz KBAHBUJXRVNGPC-CVEARBPZSA-N 2 1 369.510 0.105 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889745653 1210945956 /nfs/dbraw/zinc/94/59/56/1210945956.db2.gz XOQDHAVNXIADSD-IXDOHACOSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889745653 1210945959 /nfs/dbraw/zinc/94/59/59/1210945959.db2.gz XOQDHAVNXIADSD-IXDOHACOSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000889745653 1210945965 /nfs/dbraw/zinc/94/59/65/1210945965.db2.gz XOQDHAVNXIADSD-IXDOHACOSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000889745653 1210945968 /nfs/dbraw/zinc/94/59/68/1210945968.db2.gz XOQDHAVNXIADSD-IXDOHACOSA-N 2 1 367.490 0.319 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889742968 1210946223 /nfs/dbraw/zinc/94/62/23/1210946223.db2.gz CHSKXOGQYZQVTR-BTRQGYIVSA-N 2 1 365.518 0.935 20 0 FCADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756680 1210948322 /nfs/dbraw/zinc/94/83/22/1210948322.db2.gz OEODFXFNVRAUBO-CVEARBPZSA-N 2 1 372.473 0.894 20 0 FCADMP O=C(N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000889771192 1210950353 /nfs/dbraw/zinc/95/03/53/1210950353.db2.gz XYMWPIPASYHIJD-SBHAEUEKSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771192 1210950356 /nfs/dbraw/zinc/95/03/56/1210950356.db2.gz XYMWPIPASYHIJD-SBHAEUEKSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771192 1210950357 /nfs/dbraw/zinc/95/03/57/1210950357.db2.gz XYMWPIPASYHIJD-SBHAEUEKSA-N 2 1 373.497 0.681 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138027 1210968187 /nfs/dbraw/zinc/96/81/87/1210968187.db2.gz OOCDAJPPNFIWRE-GOSISDBHSA-N 2 1 369.554 0.765 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138028 1210968462 /nfs/dbraw/zinc/96/84/62/1210968462.db2.gz OOCDAJPPNFIWRE-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP CN1C[C@@H]2CN(C(=O)C[C@@H]3COCC[N@@H+]3Cc3ccccc3)C[C@H](C1)O2 ZINC001274694050 1211103590 /nfs/dbraw/zinc/10/35/90/1211103590.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 1 359.470 0.819 20 0 FCADMP CN1C[C@@H]2CN(C(=O)C[C@@H]3COCC[N@H+]3Cc3ccccc3)C[C@H](C1)O2 ZINC001274694050 1211103591 /nfs/dbraw/zinc/10/35/91/1211103591.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 1 359.470 0.819 20 0 FCADMP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001274909604 1211142650 /nfs/dbraw/zinc/14/26/50/1211142650.db2.gz ZHPJWTUUMMYLCY-QHEDDYRISA-N 2 1 361.490 0.580 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143006 1211179437 /nfs/dbraw/zinc/17/94/37/1211179437.db2.gz QLKNPXQSKTYUNN-UYAOXDASSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143006 1211179441 /nfs/dbraw/zinc/17/94/41/1211179441.db2.gz QLKNPXQSKTYUNN-UYAOXDASSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143006 1211179446 /nfs/dbraw/zinc/17/94/46/1211179446.db2.gz QLKNPXQSKTYUNN-UYAOXDASSA-N 2 1 364.534 0.585 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@@H+](C)CCN3C)(C1)CCC2 ZINC001275172285 1211189099 /nfs/dbraw/zinc/18/90/99/1211189099.db2.gz UQXQCSWHPYXIPS-YTQUADARSA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176158 1211189354 /nfs/dbraw/zinc/18/93/54/1211189354.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275176158 1211189357 /nfs/dbraw/zinc/18/93/57/1211189357.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275176158 1211189360 /nfs/dbraw/zinc/18/93/60/1211189360.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176154 1211189571 /nfs/dbraw/zinc/18/95/71/1211189571.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275176154 1211189574 /nfs/dbraw/zinc/18/95/74/1211189574.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275176154 1211189577 /nfs/dbraw/zinc/18/95/77/1211189577.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 2 1 365.566 0.498 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(CO)cc1)C2 ZINC001275177331 1211190187 /nfs/dbraw/zinc/19/01/87/1211190187.db2.gz PBEQFZUUSIJUFE-FQEVSTJZSA-N 2 1 361.486 0.791 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cnc4ccccn34)C2)OCC1=O ZINC001275179696 1211191754 /nfs/dbraw/zinc/19/17/54/1211191754.db2.gz SPDBJONWKVUALC-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cnc4ccccn34)C2)OCC1=O ZINC001275179696 1211191755 /nfs/dbraw/zinc/19/17/55/1211191755.db2.gz SPDBJONWKVUALC-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4nonc43)C2)OCC1=O ZINC001275180240 1211192320 /nfs/dbraw/zinc/19/23/20/1211192320.db2.gz XZBPMCOWWKIDFN-SFHVURJKSA-N 2 1 359.430 0.588 20 0 FCADMP COc1nccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275262018 1211205097 /nfs/dbraw/zinc/20/50/97/1211205097.db2.gz WCZXWGRJSYXAIZ-GOSISDBHSA-N 2 1 361.446 0.388 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001275309254 1211213422 /nfs/dbraw/zinc/21/34/22/1211213422.db2.gz UXODKKJQKAUSBC-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)OCC1=O ZINC001275309254 1211213425 /nfs/dbraw/zinc/21/34/25/1211213425.db2.gz UXODKKJQKAUSBC-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cnc4cc[nH]cc3-4)C2)OCC1=O ZINC001275309254 1211213429 /nfs/dbraw/zinc/21/34/29/1211213429.db2.gz UXODKKJQKAUSBC-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001275309254 1211213431 /nfs/dbraw/zinc/21/34/31/1211213431.db2.gz UXODKKJQKAUSBC-LJQANCHMSA-N 3 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001275309254 1211213434 /nfs/dbraw/zinc/21/34/34/1211213434.db2.gz UXODKKJQKAUSBC-LJQANCHMSA-N 3 1 357.458 0.928 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337610 1211217744 /nfs/dbraw/zinc/21/77/44/1211217744.db2.gz SVFOPFBXPHYBBU-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337610 1211217746 /nfs/dbraw/zinc/21/77/46/1211217746.db2.gz SVFOPFBXPHYBBU-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4cnoc4)C3)C2=O)CC1 ZINC001275337610 1211217748 /nfs/dbraw/zinc/21/77/48/1211217748.db2.gz SVFOPFBXPHYBBU-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275344366 1211218351 /nfs/dbraw/zinc/21/83/51/1211218351.db2.gz YKSJWWRQJHONJL-LJQANCHMSA-N 2 1 366.506 0.302 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275344366 1211218354 /nfs/dbraw/zinc/21/83/54/1211218354.db2.gz YKSJWWRQJHONJL-LJQANCHMSA-N 2 1 366.506 0.302 20 0 FCADMP COc1cc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)ccn1 ZINC001275404807 1211232241 /nfs/dbraw/zinc/23/22/41/1211232241.db2.gz FNHBAZLIBNICQK-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP Nc1ccncc1C[N@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275455181 1211241317 /nfs/dbraw/zinc/24/13/17/1211241317.db2.gz GMAREHWDNNGXNN-LJQANCHMSA-N 2 1 359.474 0.251 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275455181 1211241320 /nfs/dbraw/zinc/24/13/20/1211241320.db2.gz GMAREHWDNNGXNN-LJQANCHMSA-N 2 1 359.474 0.251 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275455181 1211241324 /nfs/dbraw/zinc/24/13/24/1211241324.db2.gz GMAREHWDNNGXNN-LJQANCHMSA-N 2 1 359.474 0.251 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275512709 1211252759 /nfs/dbraw/zinc/25/27/59/1211252759.db2.gz USKWBOWFBAOVNM-FQEVSTJZSA-N 2 1 366.550 0.831 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556965 1211256352 /nfs/dbraw/zinc/25/63/52/1211256352.db2.gz RAGAIDAIWVXFEI-IBGZPJMESA-N 2 1 367.490 0.790 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cn1C ZINC001275556995 1211257176 /nfs/dbraw/zinc/25/71/76/1211257176.db2.gz RQHMSPMCOMHFLA-IBGZPJMESA-N 2 1 362.474 0.940 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cn1C ZINC001275556995 1211257179 /nfs/dbraw/zinc/25/71/79/1211257179.db2.gz RQHMSPMCOMHFLA-IBGZPJMESA-N 2 1 362.474 0.940 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1O ZINC001275576927 1211258789 /nfs/dbraw/zinc/25/87/89/1211258789.db2.gz OTOHNJABXOGMMG-LJQANCHMSA-N 2 1 363.458 0.766 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1O ZINC001275576927 1211258793 /nfs/dbraw/zinc/25/87/93/1211258793.db2.gz OTOHNJABXOGMMG-LJQANCHMSA-N 2 1 363.458 0.766 20 0 FCADMP CC(C)(C)C(=O)OCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736852 1211278652 /nfs/dbraw/zinc/27/86/52/1211278652.db2.gz HXGFMQABQPJLFU-LJQANCHMSA-N 2 1 367.490 0.836 20 0 FCADMP Cc1noc(CN2C(=O)C[C@@]3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)C2=O)n1 ZINC001275736530 1211278657 /nfs/dbraw/zinc/27/86/57/1211278657.db2.gz FRPNPBULOCTAFN-GOSISDBHSA-N 2 1 361.446 0.719 20 0 FCADMP O=C1CC[C@@H](CN2C(=O)C[C@@]3(CCC[N@@H+](CC4CC[NH2+]CC4)C3)C2=O)N1 ZINC001275736146 1211278783 /nfs/dbraw/zinc/27/87/83/1211278783.db2.gz CDXWWHFJQIKOKZ-HNAYVOBHSA-N 2 1 362.474 0.106 20 0 FCADMP NC(=O)CCCCCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737455 1211278888 /nfs/dbraw/zinc/27/88/88/1211278888.db2.gz KVTDVZLXMPABSZ-IBGZPJMESA-N 2 1 366.506 0.335 20 0 FCADMP Cc1cc(CN2C[C@@]3(F)C[N@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)n(C)n1 ZINC001275738010 1211279232 /nfs/dbraw/zinc/27/92/32/1211279232.db2.gz RFJCKIRODLYRRQ-ZWKOTPCHSA-N 2 1 367.444 0.803 20 0 FCADMP Cc1cc(CN2C[C@@]3(F)C[N@@H+](CC4CC[NH2+]CC4)C[C@@]3(F)C2=O)n(C)n1 ZINC001275738010 1211279235 /nfs/dbraw/zinc/27/92/35/1211279235.db2.gz RFJCKIRODLYRRQ-ZWKOTPCHSA-N 2 1 367.444 0.803 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738442 1211279436 /nfs/dbraw/zinc/27/94/36/1211279436.db2.gz ZFWLUKSSLXMLBN-KXBFYZLASA-N 2 1 367.490 0.489 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798352 1211285077 /nfs/dbraw/zinc/28/50/77/1211285077.db2.gz BIMYAJSXOHPKMH-HKUYNNGSSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275798352 1211285080 /nfs/dbraw/zinc/28/50/80/1211285080.db2.gz BIMYAJSXOHPKMH-HKUYNNGSSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798352 1211285083 /nfs/dbraw/zinc/28/50/83/1211285083.db2.gz BIMYAJSXOHPKMH-HKUYNNGSSA-N 2 1 361.490 0.681 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275798352 1211285085 /nfs/dbraw/zinc/28/50/85/1211285085.db2.gz BIMYAJSXOHPKMH-HKUYNNGSSA-N 2 1 361.490 0.681 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833918 1211293979 /nfs/dbraw/zinc/29/39/79/1211293979.db2.gz SFOVIIDLPVVPLG-IBGZPJMESA-N 2 1 369.506 0.642 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000363552707 1211295634 /nfs/dbraw/zinc/29/56/34/1211295634.db2.gz GXSINKCSIVYNKH-ZWKOTPCHSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363552707 1211295637 /nfs/dbraw/zinc/29/56/37/1211295637.db2.gz GXSINKCSIVYNKH-ZWKOTPCHSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363552707 1211295639 /nfs/dbraw/zinc/29/56/39/1211295639.db2.gz GXSINKCSIVYNKH-ZWKOTPCHSA-N 2 1 367.538 0.375 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C4CC[NH+](C5CC5)CC4)CC3)[C@H]2C1 ZINC001275856980 1211298774 /nfs/dbraw/zinc/29/87/74/1211298774.db2.gz PEDYOLHXYPVHAW-IRXDYDNUSA-N 2 1 360.502 0.530 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275877476 1211303043 /nfs/dbraw/zinc/30/30/43/1211303043.db2.gz CDHWUJNTVBPJRO-FXAWDEMLSA-N 2 1 362.518 0.921 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881248 1211305567 /nfs/dbraw/zinc/30/55/67/1211305567.db2.gz YKVXRCDGTUPYCQ-APWZRJJASA-N 2 1 366.506 0.286 20 0 FCADMP Cn1cnnc1CN1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001275879251 1211305816 /nfs/dbraw/zinc/30/58/16/1211305816.db2.gz PDEMZUOSJRRGBJ-INIZCTEOSA-N 2 1 360.506 0.971 20 0 FCADMP COc1cccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275959083 1211318237 /nfs/dbraw/zinc/31/82/37/1211318237.db2.gz PVTAKHAYKNWVTK-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCOC2)n1 ZINC001095433140 1211335373 /nfs/dbraw/zinc/33/53/73/1211335373.db2.gz ZICXCOHLKXBCQN-MVJTYMMSSA-N 2 1 361.490 0.816 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001276184608 1211376060 /nfs/dbraw/zinc/37/60/60/1211376060.db2.gz AQPVYWLAYSXRRK-IRXDYDNUSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001276184608 1211376064 /nfs/dbraw/zinc/37/60/64/1211376064.db2.gz AQPVYWLAYSXRRK-IRXDYDNUSA-N 2 1 360.502 0.674 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3)C2)OCC1=O ZINC001276214238 1211382732 /nfs/dbraw/zinc/38/27/32/1211382732.db2.gz LIWZHOQCCJFSIG-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC000545882336 1211425745 /nfs/dbraw/zinc/42/57/45/1211425745.db2.gz NLUAWNDRRRUWNZ-HXUWFJFHSA-N 2 1 360.502 0.690 20 0 FCADMP Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426296 /nfs/dbraw/zinc/42/62/96/1211426296.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 1 359.474 0.726 20 0 FCADMP Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426299 /nfs/dbraw/zinc/42/62/99/1211426299.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 1 359.474 0.726 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[NH+](C)C2)c1)C1CC1 ZINC000546585045 1211437989 /nfs/dbraw/zinc/43/79/89/1211437989.db2.gz ATRLOBNZDBZQLH-FQEVSTJZSA-N 2 1 374.485 0.445 20 0 FCADMP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1)C1CC1 ZINC000546585045 1211437990 /nfs/dbraw/zinc/43/79/90/1211437990.db2.gz ATRLOBNZDBZQLH-FQEVSTJZSA-N 2 1 374.485 0.445 20 0 FCADMP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1)C1CC1 ZINC000546585045 1211437992 /nfs/dbraw/zinc/43/79/92/1211437992.db2.gz ATRLOBNZDBZQLH-FQEVSTJZSA-N 2 1 374.485 0.445 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)C12CCC[NH+]1CCC2 ZINC001095685647 1211447294 /nfs/dbraw/zinc/44/72/94/1211447294.db2.gz PDKSUDSLKYNQFL-IKGGRYGDSA-N 2 1 360.502 0.959 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)C12CCC[NH+]1CCC2 ZINC001095685647 1211447296 /nfs/dbraw/zinc/44/72/96/1211447296.db2.gz PDKSUDSLKYNQFL-IKGGRYGDSA-N 2 1 360.502 0.959 20 0 FCADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547277401 1211452214 /nfs/dbraw/zinc/45/22/14/1211452214.db2.gz HUVDHEGLMHZCQN-LJQANCHMSA-N 2 1 361.490 0.935 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC000924472328 1211470910 /nfs/dbraw/zinc/47/09/10/1211470910.db2.gz DIEHLAUMRZBJHO-ZWKOTPCHSA-N 2 1 373.501 0.847 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523921 1211472831 /nfs/dbraw/zinc/47/28/31/1211472831.db2.gz CWSNBMSTULCNBT-RHSMWYFYSA-N 2 1 360.458 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)c2)CCO1 ZINC000924523921 1211472834 /nfs/dbraw/zinc/47/28/34/1211472834.db2.gz CWSNBMSTULCNBT-RHSMWYFYSA-N 2 1 360.458 0.889 20 0 FCADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CN3CC[NH+](CC)CC3)C2)[C@@H]1C(C)C ZINC000926254496 1211522876 /nfs/dbraw/zinc/52/28/76/1211522876.db2.gz UIXJBCSODIQVSP-JYBIWHBTSA-N 2 1 366.550 0.610 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000926360464 1211539296 /nfs/dbraw/zinc/53/92/96/1211539296.db2.gz HQBKRVBBXVPWGR-BBWFWOEESA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000926360464 1211539299 /nfs/dbraw/zinc/53/92/99/1211539299.db2.gz HQBKRVBBXVPWGR-BBWFWOEESA-N 2 1 366.506 0.014 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000926414841 1211547241 /nfs/dbraw/zinc/54/72/41/1211547241.db2.gz KTJZJSDWXSEBQM-MSOLQXFVSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000926414841 1211547244 /nfs/dbraw/zinc/54/72/44/1211547244.db2.gz KTJZJSDWXSEBQM-MSOLQXFVSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(c2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1=O ZINC000927190377 1211565872 /nfs/dbraw/zinc/56/58/72/1211565872.db2.gz CHGVXPYCOKUURI-CABCVRRESA-N 2 1 359.430 0.123 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(c2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1=O ZINC000927190377 1211565875 /nfs/dbraw/zinc/56/58/75/1211565875.db2.gz CHGVXPYCOKUURI-CABCVRRESA-N 2 1 359.430 0.123 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638497 1211577835 /nfs/dbraw/zinc/57/78/35/1211577835.db2.gz UQGHPVLKAMRPQZ-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638497 1211577839 /nfs/dbraw/zinc/57/78/39/1211577839.db2.gz UQGHPVLKAMRPQZ-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638497 1211577843 /nfs/dbraw/zinc/57/78/43/1211577843.db2.gz UQGHPVLKAMRPQZ-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@H](C)O1 ZINC000927638497 1211577847 /nfs/dbraw/zinc/57/78/47/1211577847.db2.gz UQGHPVLKAMRPQZ-JZXOWHBKSA-N 2 1 368.522 0.990 20 0 FCADMP COc1ccccc1[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221336501 1225299968 /nfs/dbraw/zinc/29/99/68/1225299968.db2.gz LDNUHKIQUVLSMV-QGZVFWFLSA-N 2 1 359.430 0.934 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221397074 1225306544 /nfs/dbraw/zinc/30/65/44/1225306544.db2.gz DWTWQMAJUQLGRH-ROUUACIJSA-N 3 1 358.486 0.270 20 0 FCADMP CN1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221397074 1225306546 /nfs/dbraw/zinc/30/65/46/1225306546.db2.gz DWTWQMAJUQLGRH-ROUUACIJSA-N 2 1 358.486 0.270 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)Cc1ccccc1 ZINC000929398141 1211635642 /nfs/dbraw/zinc/63/56/42/1211635642.db2.gz IDVRBHNBVAPKLM-ROUUACIJSA-N 2 1 360.502 0.876 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)Cc1ccccc1 ZINC000929398141 1211635644 /nfs/dbraw/zinc/63/56/44/1211635644.db2.gz IDVRBHNBVAPKLM-ROUUACIJSA-N 2 1 360.502 0.876 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000930400996 1211706704 /nfs/dbraw/zinc/70/67/04/1211706704.db2.gz ZKCXDAIWRGHRKA-WMLDXEAASA-N 2 1 359.474 0.544 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000930400996 1211706705 /nfs/dbraw/zinc/70/67/05/1211706705.db2.gz ZKCXDAIWRGHRKA-WMLDXEAASA-N 2 1 359.474 0.544 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[nH+]1 ZINC000931613850 1211764270 /nfs/dbraw/zinc/76/42/70/1211764270.db2.gz SPBFRXREBRQJKF-UHFFFAOYSA-N 2 1 356.430 0.696 20 0 FCADMP C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931657353 1211769135 /nfs/dbraw/zinc/76/91/35/1211769135.db2.gz FMZUCLNCTTYRND-UAGQMJEPSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931657353 1211769139 /nfs/dbraw/zinc/76/91/39/1211769139.db2.gz FMZUCLNCTTYRND-UAGQMJEPSA-N 2 1 358.486 0.880 20 0 FCADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931877666 1211777716 /nfs/dbraw/zinc/77/77/16/1211777716.db2.gz IQWYYLDGLJKMJA-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931877666 1211777719 /nfs/dbraw/zinc/77/77/19/1211777719.db2.gz IQWYYLDGLJKMJA-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931877666 1211777723 /nfs/dbraw/zinc/77/77/23/1211777723.db2.gz IQWYYLDGLJKMJA-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931877666 1211777726 /nfs/dbraw/zinc/77/77/26/1211777726.db2.gz IQWYYLDGLJKMJA-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931880997 1211778062 /nfs/dbraw/zinc/77/80/62/1211778062.db2.gz ATPCMFGGWXSKOZ-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931880997 1211778065 /nfs/dbraw/zinc/77/80/65/1211778065.db2.gz ATPCMFGGWXSKOZ-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931880997 1211778067 /nfs/dbraw/zinc/77/80/67/1211778067.db2.gz ATPCMFGGWXSKOZ-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931880997 1211778069 /nfs/dbraw/zinc/77/80/69/1211778069.db2.gz ATPCMFGGWXSKOZ-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000931879481 1211778787 /nfs/dbraw/zinc/77/87/87/1211778787.db2.gz YQDWBGQOIQICKI-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000931879481 1211778794 /nfs/dbraw/zinc/77/87/94/1211778794.db2.gz YQDWBGQOIQICKI-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879481 1211778800 /nfs/dbraw/zinc/77/88/00/1211778800.db2.gz YQDWBGQOIQICKI-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879481 1211778803 /nfs/dbraw/zinc/77/88/03/1211778803.db2.gz YQDWBGQOIQICKI-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]c1 ZINC000932805266 1211822827 /nfs/dbraw/zinc/82/28/27/1211822827.db2.gz WLEOFXKNHYZNTI-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]c1 ZINC000932805266 1211822829 /nfs/dbraw/zinc/82/28/29/1211822829.db2.gz WLEOFXKNHYZNTI-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000932830350 1211823763 /nfs/dbraw/zinc/82/37/63/1211823763.db2.gz BXCUTVJKABGYOL-IBGZPJMESA-N 2 1 373.497 0.982 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000933849676 1211848547 /nfs/dbraw/zinc/84/85/47/1211848547.db2.gz WTTNTBSOLSIPFG-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933849676 1211848550 /nfs/dbraw/zinc/84/85/50/1211848550.db2.gz WTTNTBSOLSIPFG-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000933853633 1211849305 /nfs/dbraw/zinc/84/93/05/1211849305.db2.gz OTZGDIJATMKDGR-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000933853633 1211849306 /nfs/dbraw/zinc/84/93/06/1211849306.db2.gz OTZGDIJATMKDGR-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000933853633 1211849308 /nfs/dbraw/zinc/84/93/08/1211849308.db2.gz OTZGDIJATMKDGR-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000933853633 1211849311 /nfs/dbraw/zinc/84/93/11/1211849311.db2.gz OTZGDIJATMKDGR-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001095769226 1211983992 /nfs/dbraw/zinc/98/39/92/1211983992.db2.gz CLVOUMFAORWKCQ-UGUYLWEFSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001095769226 1211984003 /nfs/dbraw/zinc/98/40/03/1211984003.db2.gz CLVOUMFAORWKCQ-UGUYLWEFSA-N 2 1 355.446 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC000968864450 1212158003 /nfs/dbraw/zinc/15/80/03/1212158003.db2.gz WZYIADRJESLDIK-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC000968864450 1212158008 /nfs/dbraw/zinc/15/80/08/1212158008.db2.gz WZYIADRJESLDIK-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC000968864450 1212158012 /nfs/dbraw/zinc/15/80/12/1212158012.db2.gz WZYIADRJESLDIK-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccnn3C)CC2)O1 ZINC000948542328 1212196606 /nfs/dbraw/zinc/19/66/06/1212196606.db2.gz QCXHOVNHKFJBKO-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccnn3C)CC2)O1 ZINC000948542328 1212196610 /nfs/dbraw/zinc/19/66/10/1212196610.db2.gz QCXHOVNHKFJBKO-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccnn3C)CC2)O1 ZINC000948542328 1212196613 /nfs/dbraw/zinc/19/66/13/1212196613.db2.gz QCXHOVNHKFJBKO-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccnn3C)CC2)O1 ZINC000948542328 1212196616 /nfs/dbraw/zinc/19/66/16/1212196616.db2.gz QCXHOVNHKFJBKO-JFIYKMOQSA-N 2 1 363.506 0.952 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001111281115 1212232168 /nfs/dbraw/zinc/23/21/68/1212232168.db2.gz GUQJRJLZMASWPA-XDNAFOTISA-N 2 1 363.502 0.999 20 0 FCADMP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111281270 1212233335 /nfs/dbraw/zinc/23/33/35/1212233335.db2.gz KXOLQILECCNBBV-ZACQAIPSSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001111281270 1212233338 /nfs/dbraw/zinc/23/33/38/1212233338.db2.gz KXOLQILECCNBBV-ZACQAIPSSA-N 2 1 366.506 0.297 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC000969072056 1212255346 /nfs/dbraw/zinc/25/53/46/1212255346.db2.gz UYYBMQLWXSFQGH-XJKCOSOUSA-N 2 1 365.430 0.058 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1=O ZINC000969072056 1212255350 /nfs/dbraw/zinc/25/53/50/1212255350.db2.gz UYYBMQLWXSFQGH-XJKCOSOUSA-N 2 1 365.430 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000949179244 1212313801 /nfs/dbraw/zinc/31/38/01/1212313801.db2.gz DLJNOTKIBDDGHK-UKPHBRMFSA-N 2 1 355.442 0.863 20 0 FCADMP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001006448994 1212479640 /nfs/dbraw/zinc/47/96/40/1212479640.db2.gz NJEYQCQMFWFUEJ-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297622 1212479729 /nfs/dbraw/zinc/47/97/29/1212479729.db2.gz MGZVDGZIWLSNMO-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297622 1212479735 /nfs/dbraw/zinc/47/97/35/1212479735.db2.gz MGZVDGZIWLSNMO-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001007481452 1212502870 /nfs/dbraw/zinc/50/28/70/1212502870.db2.gz JTLWWHYULGMVRG-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618791 1212538755 /nfs/dbraw/zinc/53/87/55/1212538755.db2.gz NRUUQMKBEULPFW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618791 1212538765 /nfs/dbraw/zinc/53/87/65/1212538765.db2.gz NRUUQMKBEULPFW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618791 1212538771 /nfs/dbraw/zinc/53/87/71/1212538771.db2.gz NRUUQMKBEULPFW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618791 1212538776 /nfs/dbraw/zinc/53/87/76/1212538776.db2.gz NRUUQMKBEULPFW-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001006458060 1212584031 /nfs/dbraw/zinc/58/40/31/1212584031.db2.gz RDDBXZFNQLUTDA-HYVNUMGLSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008175991 1212649561 /nfs/dbraw/zinc/64/95/61/1212649561.db2.gz ZDLPOWIGIXFINL-BMFZPTHFSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008175991 1212649564 /nfs/dbraw/zinc/64/95/64/1212649564.db2.gz ZDLPOWIGIXFINL-BMFZPTHFSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)CC[N@H+]1C ZINC001008209277 1212660633 /nfs/dbraw/zinc/66/06/33/1212660633.db2.gz SPMQJBWJVNSDFN-OAGGEKHMSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000951153557 1212775659 /nfs/dbraw/zinc/77/56/59/1212775659.db2.gz LODCTKLMHCGVCL-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000951153557 1212775666 /nfs/dbraw/zinc/77/56/66/1212775666.db2.gz LODCTKLMHCGVCL-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000951153557 1212775673 /nfs/dbraw/zinc/77/56/73/1212775673.db2.gz LODCTKLMHCGVCL-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000951153557 1212775678 /nfs/dbraw/zinc/77/56/78/1212775678.db2.gz LODCTKLMHCGVCL-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951236516 1212800246 /nfs/dbraw/zinc/80/02/46/1212800246.db2.gz BHBRCJQVWZUNMO-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951236516 1212800247 /nfs/dbraw/zinc/80/02/47/1212800247.db2.gz BHBRCJQVWZUNMO-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001009287193 1212832016 /nfs/dbraw/zinc/83/20/16/1212832016.db2.gz USQCAZXPJGSLEA-ZWOKBUDYSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000951781355 1212876483 /nfs/dbraw/zinc/87/64/83/1212876483.db2.gz RDJXZBJGLVNQCC-CKEIUWERSA-N 2 1 355.442 0.863 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221654400 1225419573 /nfs/dbraw/zinc/41/95/73/1225419573.db2.gz IVHISEDVGMBDDF-IXDOHACOSA-N 2 1 363.506 0.507 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221654400 1225419578 /nfs/dbraw/zinc/41/95/78/1225419578.db2.gz IVHISEDVGMBDDF-IXDOHACOSA-N 2 1 363.506 0.507 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221654400 1225419583 /nfs/dbraw/zinc/41/95/83/1225419583.db2.gz IVHISEDVGMBDDF-IXDOHACOSA-N 2 1 363.506 0.507 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000954407776 1213068997 /nfs/dbraw/zinc/06/89/97/1213068997.db2.gz KZPOKGKOOFCMCB-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1c(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)ccc2c[nH+]cn21 ZINC001221663379 1225424256 /nfs/dbraw/zinc/42/42/56/1225424256.db2.gz DDPKWAAXZYUWGT-CRAIPNDOSA-N 2 1 358.442 0.798 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663911 1225424892 /nfs/dbraw/zinc/42/48/92/1225424892.db2.gz URGHPANLVOBDQO-UWWQBHOKSA-N 2 1 358.442 0.796 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CCc2nccn2C)CC[N@H+]1C ZINC000956144871 1213176157 /nfs/dbraw/zinc/17/61/57/1213176157.db2.gz BTFJLCFJXPWHHJ-OWCLPIDISA-N 2 1 361.490 0.800 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641792630 1213216298 /nfs/dbraw/zinc/21/62/98/1213216298.db2.gz VTAWMPBJYBUHOP-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641792630 1213216299 /nfs/dbraw/zinc/21/62/99/1213216299.db2.gz VTAWMPBJYBUHOP-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641792630 1213216301 /nfs/dbraw/zinc/21/63/01/1213216301.db2.gz VTAWMPBJYBUHOP-GOSISDBHSA-N 2 1 369.554 0.814 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000956989844 1213227007 /nfs/dbraw/zinc/22/70/07/1213227007.db2.gz OEXIXGRBHYCBDZ-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000956992110 1213227510 /nfs/dbraw/zinc/22/75/10/1213227510.db2.gz FIPCTDCOIQMEFP-GDBMZVCRSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566609 1213323141 /nfs/dbraw/zinc/32/31/41/1213323141.db2.gz TZXBUDBAKKTMJZ-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566609 1213323143 /nfs/dbraw/zinc/32/31/43/1213323143.db2.gz TZXBUDBAKKTMJZ-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000957591655 1213329268 /nfs/dbraw/zinc/32/92/68/1213329268.db2.gz OFSLBMFHXSFDMR-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000957591655 1213329270 /nfs/dbraw/zinc/32/92/70/1213329270.db2.gz OFSLBMFHXSFDMR-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC000958029087 1213376033 /nfs/dbraw/zinc/37/60/33/1213376033.db2.gz GPBWZVZBZVFMKV-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC000958029087 1213376036 /nfs/dbraw/zinc/37/60/36/1213376036.db2.gz GPBWZVZBZVFMKV-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000958217983 1213391103 /nfs/dbraw/zinc/39/11/03/1213391103.db2.gz DCXROGKLXCXZEJ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276337417 1213418539 /nfs/dbraw/zinc/41/85/39/1213418539.db2.gz CMOQCCDFFMXWFY-IBGZPJMESA-N 2 1 369.506 0.973 20 0 FCADMP CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)C1 ZINC001095912103 1213450710 /nfs/dbraw/zinc/45/07/10/1213450710.db2.gz ICPJMNWQFNLAIM-OWSLCNJRSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001095912103 1213450714 /nfs/dbraw/zinc/45/07/14/1213450714.db2.gz ICPJMNWQFNLAIM-OWSLCNJRSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001095912103 1213450719 /nfs/dbraw/zinc/45/07/19/1213450719.db2.gz ICPJMNWQFNLAIM-OWSLCNJRSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)C1 ZINC001095912103 1213450721 /nfs/dbraw/zinc/45/07/21/1213450721.db2.gz ICPJMNWQFNLAIM-OWSLCNJRSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)C1 ZINC001095912103 1213450726 /nfs/dbraw/zinc/45/07/26/1213450726.db2.gz ICPJMNWQFNLAIM-OWSLCNJRSA-N 2 1 361.490 0.714 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960042939 1213593466 /nfs/dbraw/zinc/59/34/66/1213593466.db2.gz JHBCJVWMXQCVJN-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960042939 1213593469 /nfs/dbraw/zinc/59/34/69/1213593469.db2.gz JHBCJVWMXQCVJN-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC000960268759 1213687679 /nfs/dbraw/zinc/68/76/79/1213687679.db2.gz OFXACFISIATZCZ-QSFMABPGSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(=O)N2CCC2)CC[N@H+]1C ZINC000960268759 1213687682 /nfs/dbraw/zinc/68/76/82/1213687682.db2.gz OFXACFISIATZCZ-QSFMABPGSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408041 1213744989 /nfs/dbraw/zinc/74/49/89/1213744989.db2.gz DUTTXOJRBGLABU-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787033 1225480233 /nfs/dbraw/zinc/48/02/33/1225480233.db2.gz HYNYKKABFZUQLD-IAGOWNOFSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787033 1225480236 /nfs/dbraw/zinc/48/02/36/1225480236.db2.gz HYNYKKABFZUQLD-IAGOWNOFSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOc4ccccc4)C[C@H]32)O1 ZINC000960523987 1213802600 /nfs/dbraw/zinc/80/26/00/1213802600.db2.gz HNLZUKCPTWWGCG-FTWQHDNSSA-N 2 1 359.470 0.831 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOc4ccccc4)C[C@H]32)O1 ZINC000960523987 1213802601 /nfs/dbraw/zinc/80/26/01/1213802601.db2.gz HNLZUKCPTWWGCG-FTWQHDNSSA-N 2 1 359.470 0.831 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOc4ccccc4)C[C@H]32)O1 ZINC000960523987 1213802604 /nfs/dbraw/zinc/80/26/04/1213802604.db2.gz HNLZUKCPTWWGCG-FTWQHDNSSA-N 2 1 359.470 0.831 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOc4ccccc4)C[C@H]32)O1 ZINC000960523987 1213802609 /nfs/dbraw/zinc/80/26/09/1213802609.db2.gz HNLZUKCPTWWGCG-FTWQHDNSSA-N 2 1 359.470 0.831 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001221791254 1225482682 /nfs/dbraw/zinc/48/26/82/1225482682.db2.gz DBUHVRAWQIORDI-ZIFCJYIRSA-N 2 1 361.486 0.911 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21)[NH+](C)C ZINC000960665425 1213878614 /nfs/dbraw/zinc/87/86/14/1213878614.db2.gz CBAVLJAWBARGCB-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP Cc1nccnc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960717134 1213905650 /nfs/dbraw/zinc/90/56/50/1213905650.db2.gz KWOBUEZJYKQUET-QGPMSJSTSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1nccnc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960717134 1213905656 /nfs/dbraw/zinc/90/56/56/1213905656.db2.gz KWOBUEZJYKQUET-QGPMSJSTSA-N 2 1 361.490 0.927 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960739399 1213916510 /nfs/dbraw/zinc/91/65/10/1213916510.db2.gz NWHONZKGZXIDGF-TWMKSMIVSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960780697 1213934782 /nfs/dbraw/zinc/93/47/82/1213934782.db2.gz JWQGQSCPJQWHPA-LUKYLMHMSA-N 2 1 366.506 0.249 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C(C)(C)C)C2 ZINC001276825477 1225496037 /nfs/dbraw/zinc/49/60/37/1225496037.db2.gz UIFOVXZZROBOPL-QFBILLFUSA-N 2 1 364.490 0.878 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151595 1214077232 /nfs/dbraw/zinc/07/72/32/1214077232.db2.gz FVSZJMPLWYLYHT-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151595 1214077242 /nfs/dbraw/zinc/07/72/42/1214077242.db2.gz FVSZJMPLWYLYHT-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151595 1214077248 /nfs/dbraw/zinc/07/72/48/1214077248.db2.gz FVSZJMPLWYLYHT-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cnn(C)c3)C2)O1 ZINC001017151595 1214077258 /nfs/dbraw/zinc/07/72/58/1214077258.db2.gz FVSZJMPLWYLYHT-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419241042 1214087049 /nfs/dbraw/zinc/08/70/49/1214087049.db2.gz RRMJDHCECGJPOC-HRAATJIYSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419241042 1214087056 /nfs/dbraw/zinc/08/70/56/1214087056.db2.gz RRMJDHCECGJPOC-HRAATJIYSA-N 2 1 370.497 0.904 20 0 FCADMP CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001017545121 1214114492 /nfs/dbraw/zinc/11/44/92/1214114492.db2.gz GCTARBXIIAJWIN-HYVNUMGLSA-N 2 1 366.506 0.321 20 0 FCADMP CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001017545121 1214114495 /nfs/dbraw/zinc/11/44/95/1214114495.db2.gz GCTARBXIIAJWIN-HYVNUMGLSA-N 2 1 366.506 0.321 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419398105 1214167569 /nfs/dbraw/zinc/16/75/69/1214167569.db2.gz WGDGZPYLTKUIKF-FQEVSTJZSA-N 2 1 356.470 0.515 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419398105 1214167572 /nfs/dbraw/zinc/16/75/72/1214167572.db2.gz WGDGZPYLTKUIKF-FQEVSTJZSA-N 2 1 356.470 0.515 20 0 FCADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862643 1225510386 /nfs/dbraw/zinc/51/03/86/1225510386.db2.gz HULDDWKJIWVVFA-LZLYRXPVSA-N 2 1 363.506 0.752 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001019416432 1214239668 /nfs/dbraw/zinc/23/96/68/1214239668.db2.gz LBFATNJYFOJKMD-OTWHNJEPSA-N 2 1 368.485 0.814 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1)[NH+](C)C ZINC000961668490 1214263770 /nfs/dbraw/zinc/26/37/70/1214263770.db2.gz FUSVFJXUOCTWHW-RZFLPCETSA-N 2 1 364.534 0.974 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccc(F)cc1 ZINC000419756966 1214287833 /nfs/dbraw/zinc/28/78/33/1214287833.db2.gz HECMJFJVDRGZNY-LJQANCHMSA-N 2 1 362.449 0.728 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871008 1225515954 /nfs/dbraw/zinc/51/59/54/1225515954.db2.gz RPGJZUINHQVJOY-CEXWTWQISA-N 2 1 361.486 0.902 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)C[C@@H]3C2)CC1 ZINC000961839198 1214327316 /nfs/dbraw/zinc/32/73/16/1214327316.db2.gz PBCHRQNXWPFSQG-YYIAUSFCSA-N 2 1 371.485 0.772 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)O1 ZINC001020287145 1214328207 /nfs/dbraw/zinc/32/82/07/1214328207.db2.gz UTARKSPBZCUMLX-GEYQNNLUSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccccc3F)C2)O1 ZINC001020287145 1214328218 /nfs/dbraw/zinc/32/82/18/1214328218.db2.gz UTARKSPBZCUMLX-GEYQNNLUSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)O1 ZINC001020288084 1214329509 /nfs/dbraw/zinc/32/95/09/1214329509.db2.gz YRZKIYUCGPVFQF-BQJWPVKWSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@@H]3C)C2)O1 ZINC001020288084 1214329512 /nfs/dbraw/zinc/32/95/12/1214329512.db2.gz YRZKIYUCGPVFQF-BQJWPVKWSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858795 1214447967 /nfs/dbraw/zinc/44/79/67/1214447967.db2.gz UIOXOICRDSMKNK-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039858795 1214447972 /nfs/dbraw/zinc/44/79/72/1214447972.db2.gz UIOXOICRDSMKNK-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858795 1214447976 /nfs/dbraw/zinc/44/79/76/1214447976.db2.gz UIOXOICRDSMKNK-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894861 1225525827 /nfs/dbraw/zinc/52/58/27/1225525827.db2.gz LPCCDPLALZCSIW-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894861 1225525835 /nfs/dbraw/zinc/52/58/35/1225525835.db2.gz LPCCDPLALZCSIW-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC001040208701 1214484665 /nfs/dbraw/zinc/48/46/65/1214484665.db2.gz BOOVXGVNCYSLIZ-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001040208701 1214484674 /nfs/dbraw/zinc/48/46/74/1214484674.db2.gz BOOVXGVNCYSLIZ-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001040208701 1214484682 /nfs/dbraw/zinc/48/46/82/1214484682.db2.gz BOOVXGVNCYSLIZ-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221921667 1225536114 /nfs/dbraw/zinc/53/61/14/1225536114.db2.gz DQZLRFITPZRUGZ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221921667 1225536121 /nfs/dbraw/zinc/53/61/21/1225536121.db2.gz DQZLRFITPZRUGZ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221921667 1225536125 /nfs/dbraw/zinc/53/61/25/1225536125.db2.gz DQZLRFITPZRUGZ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221921667 1225536129 /nfs/dbraw/zinc/53/61/29/1225536129.db2.gz DQZLRFITPZRUGZ-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCCNC2=O)C3)O1 ZINC000964030746 1214890965 /nfs/dbraw/zinc/89/09/65/1214890965.db2.gz XHUSRJGMXWILSX-RZNHZXBGSA-N 2 1 364.490 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCCNC2=O)C3)O1 ZINC000964030746 1214890968 /nfs/dbraw/zinc/89/09/68/1214890968.db2.gz XHUSRJGMXWILSX-RZNHZXBGSA-N 2 1 364.490 0.001 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000964214108 1214916596 /nfs/dbraw/zinc/91/65/96/1214916596.db2.gz SVTCGHGPQPPMKP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000964214108 1214916597 /nfs/dbraw/zinc/91/65/97/1214916597.db2.gz SVTCGHGPQPPMKP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000964214108 1214916603 /nfs/dbraw/zinc/91/66/03/1214916603.db2.gz SVTCGHGPQPPMKP-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000965044646 1215018187 /nfs/dbraw/zinc/01/81/87/1215018187.db2.gz MJNWSPRRYGBPAT-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014212 1225575958 /nfs/dbraw/zinc/57/59/58/1225575958.db2.gz WWHYCTDTILIXTO-BZUAXINKSA-N 2 1 365.522 0.569 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014212 1225575959 /nfs/dbraw/zinc/57/59/59/1225575959.db2.gz WWHYCTDTILIXTO-BZUAXINKSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014212 1225575963 /nfs/dbraw/zinc/57/59/63/1225575963.db2.gz WWHYCTDTILIXTO-BZUAXINKSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001222014212 1225575968 /nfs/dbraw/zinc/57/59/68/1225575968.db2.gz WWHYCTDTILIXTO-BZUAXINKSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001222017890 1225577134 /nfs/dbraw/zinc/57/71/34/1225577134.db2.gz AWOWWGZCFQZHBJ-BHIYHBOVSA-N 2 1 365.518 0.914 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000965987085 1215156972 /nfs/dbraw/zinc/15/69/72/1215156972.db2.gz QNUWJBOJIFQSES-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000965987085 1215156978 /nfs/dbraw/zinc/15/69/78/1215156978.db2.gz QNUWJBOJIFQSES-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000965987085 1215156979 /nfs/dbraw/zinc/15/69/79/1215156979.db2.gz QNUWJBOJIFQSES-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000966107997 1215162509 /nfs/dbraw/zinc/16/25/09/1215162509.db2.gz JWMVOAZCUYMKGM-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966370155 1215170862 /nfs/dbraw/zinc/17/08/62/1215170862.db2.gz RLWWAHBVCGLAJV-BBWFWOEESA-N 2 1 366.506 0.033 20 0 FCADMP c1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc(OCCN2CCOCC2)c1 ZINC001222091334 1225597931 /nfs/dbraw/zinc/59/79/31/1225597931.db2.gz QQPSLIPDCGCWBK-UHFFFAOYSA-N 2 1 374.529 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001056083671 1215946705 /nfs/dbraw/zinc/94/67/05/1215946705.db2.gz VFHMCPGQTJLGBS-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693790 1225646119 /nfs/dbraw/zinc/64/61/19/1225646119.db2.gz ADQMYSKFBIMQIN-SQNIBIBYSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001000359623 1216041734 /nfs/dbraw/zinc/04/17/34/1216041734.db2.gz UHPSRKUZQPZHTC-MOPGFXCFSA-N 2 1 370.497 0.755 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001001534772 1216239938 /nfs/dbraw/zinc/23/99/38/1216239938.db2.gz ZTLWZRQFAMEOTH-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001001534772 1216239944 /nfs/dbraw/zinc/23/99/44/1216239944.db2.gz ZTLWZRQFAMEOTH-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001050050261 1216273340 /nfs/dbraw/zinc/27/33/40/1216273340.db2.gz AAVIKBUTQMDCCC-DZJNRPSUSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)CC[N@H+]1C ZINC001050050261 1216273351 /nfs/dbraw/zinc/27/33/51/1216273351.db2.gz AAVIKBUTQMDCCC-DZJNRPSUSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC[NH+]1C ZINC001050050261 1216273365 /nfs/dbraw/zinc/27/33/65/1216273365.db2.gz AAVIKBUTQMDCCC-DZJNRPSUSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC[NH+]1C ZINC001050050261 1216273380 /nfs/dbraw/zinc/27/33/80/1216273380.db2.gz AAVIKBUTQMDCCC-DZJNRPSUSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001050049024 1216274096 /nfs/dbraw/zinc/27/40/96/1216274096.db2.gz DXFPEDIHQDIEMM-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001050049024 1216274104 /nfs/dbraw/zinc/27/41/04/1216274104.db2.gz DXFPEDIHQDIEMM-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001050049024 1216274111 /nfs/dbraw/zinc/27/41/11/1216274111.db2.gz DXFPEDIHQDIEMM-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCn4cncn4)C[C@H]32)CC[N@H+]1C ZINC001050050855 1216274545 /nfs/dbraw/zinc/27/45/45/1216274545.db2.gz IZNHLZXVMQROMD-WNRNVDISSA-N 2 1 360.506 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)CC[NH+]1C ZINC001050050855 1216274550 /nfs/dbraw/zinc/27/45/50/1216274550.db2.gz IZNHLZXVMQROMD-WNRNVDISSA-N 2 1 360.506 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC[NH+]1C ZINC001050050855 1216274551 /nfs/dbraw/zinc/27/45/51/1216274551.db2.gz IZNHLZXVMQROMD-WNRNVDISSA-N 2 1 360.506 0.931 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC001050336613 1216308270 /nfs/dbraw/zinc/30/82/70/1216308270.db2.gz OIQZIOGFXIJLCE-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)CC2)O1 ZINC001050336613 1216308278 /nfs/dbraw/zinc/30/82/78/1216308278.db2.gz OIQZIOGFXIJLCE-OVYGPGRDSA-N 2 1 366.506 0.201 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276844210 1225663720 /nfs/dbraw/zinc/66/37/20/1225663720.db2.gz XXIITWHWXWDRFF-SFHVURJKSA-N 2 1 361.446 0.504 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050523840 1216331541 /nfs/dbraw/zinc/33/15/41/1216331541.db2.gz KDWAAFJFFPTGOL-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001051440718 1216448995 /nfs/dbraw/zinc/44/89/95/1216448995.db2.gz CDOFXCLMXAIXGQ-XHSDSOJGSA-N 2 1 370.461 0.183 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001051440718 1216448997 /nfs/dbraw/zinc/44/89/97/1216448997.db2.gz CDOFXCLMXAIXGQ-XHSDSOJGSA-N 2 1 370.461 0.183 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001051624209 1216468500 /nfs/dbraw/zinc/46/85/00/1216468500.db2.gz NGFCOHCNSRANHQ-FGTMMUONSA-N 2 1 363.506 0.776 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051623665 1216468742 /nfs/dbraw/zinc/46/87/42/1216468742.db2.gz JDLPTQYYEPPSCQ-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051623665 1216468747 /nfs/dbraw/zinc/46/87/47/1216468747.db2.gz JDLPTQYYEPPSCQ-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC001051625092 1216470587 /nfs/dbraw/zinc/47/05/87/1216470587.db2.gz XKALZJFBDNXLJL-FGTMMUONSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CC4CCC4)CC3)C2)O1 ZINC001052043237 1216491336 /nfs/dbraw/zinc/49/13/36/1216491336.db2.gz SDJKUWSSTLQQIW-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CC4CCC4)CC3)C2)O1 ZINC001052043237 1216491341 /nfs/dbraw/zinc/49/13/41/1216491341.db2.gz SDJKUWSSTLQQIW-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738875 1216529335 /nfs/dbraw/zinc/52/93/35/1216529335.db2.gz HIIFAZRXYGOLMK-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738875 1216529348 /nfs/dbraw/zinc/52/93/48/1216529348.db2.gz HIIFAZRXYGOLMK-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738875 1216529357 /nfs/dbraw/zinc/52/93/57/1216529357.db2.gz HIIFAZRXYGOLMK-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CN(C(=O)CC[NH+](C)C)CCO3)CC[N@H+]1C ZINC001068454547 1216738838 /nfs/dbraw/zinc/73/88/38/1216738838.db2.gz UTFVFXGLUAYCBZ-JKSUJKDBSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001068901434 1216767078 /nfs/dbraw/zinc/76/70/78/1216767078.db2.gz IVBAYDBQULKBPR-OWCLPIDISA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068901434 1216767080 /nfs/dbraw/zinc/76/70/80/1216767080.db2.gz IVBAYDBQULKBPR-OWCLPIDISA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068901434 1216767085 /nfs/dbraw/zinc/76/70/85/1216767085.db2.gz IVBAYDBQULKBPR-OWCLPIDISA-N 2 1 366.506 0.153 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902534 1216828327 /nfs/dbraw/zinc/82/83/27/1216828327.db2.gz BWYMXPCSAYPFKB-ZACQAIPSSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902534 1216828329 /nfs/dbraw/zinc/82/83/29/1216828329.db2.gz BWYMXPCSAYPFKB-ZACQAIPSSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902534 1216828332 /nfs/dbraw/zinc/82/83/32/1216828332.db2.gz BWYMXPCSAYPFKB-ZACQAIPSSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001069902534 1216828334 /nfs/dbraw/zinc/82/83/34/1216828334.db2.gz BWYMXPCSAYPFKB-ZACQAIPSSA-N 2 1 362.478 0.140 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905564 1216832044 /nfs/dbraw/zinc/83/20/44/1216832044.db2.gz DLNYVLJWCKLKBC-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905564 1216832046 /nfs/dbraw/zinc/83/20/46/1216832046.db2.gz DLNYVLJWCKLKBC-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905564 1216832047 /nfs/dbraw/zinc/83/20/47/1216832047.db2.gz DLNYVLJWCKLKBC-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905564 1216832048 /nfs/dbraw/zinc/83/20/48/1216832048.db2.gz DLNYVLJWCKLKBC-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001069945564 1216858722 /nfs/dbraw/zinc/85/87/22/1216858722.db2.gz OZMUPBBGHTZNHF-ZACQAIPSSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001069945564 1216858724 /nfs/dbraw/zinc/85/87/24/1216858724.db2.gz OZMUPBBGHTZNHF-ZACQAIPSSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001069945564 1216858727 /nfs/dbraw/zinc/85/87/27/1216858727.db2.gz OZMUPBBGHTZNHF-ZACQAIPSSA-N 2 1 362.478 0.019 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001069945564 1216858731 /nfs/dbraw/zinc/85/87/31/1216858731.db2.gz OZMUPBBGHTZNHF-ZACQAIPSSA-N 2 1 362.478 0.019 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)ccc2c[nH+]cn21 ZINC001069966119 1216872650 /nfs/dbraw/zinc/87/26/50/1216872650.db2.gz WIJNPRRKTLFYCI-VUCTXSBTSA-N 2 1 369.429 0.270 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)ccc2c[nH+]cn21 ZINC001069966119 1216872654 /nfs/dbraw/zinc/87/26/54/1216872654.db2.gz WIJNPRRKTLFYCI-VUCTXSBTSA-N 2 1 369.429 0.270 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969477 1216875585 /nfs/dbraw/zinc/87/55/85/1216875585.db2.gz XXWPFQGMKHKRDA-OAGGEKHMSA-N 2 1 364.469 0.996 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)c1ccc2c[nH+]cn2c1 ZINC001069979745 1216882075 /nfs/dbraw/zinc/88/20/75/1216882075.db2.gz MDOKJMDAOMKEDW-CVEARBPZSA-N 2 1 357.393 0.941 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223361590 1225701533 /nfs/dbraw/zinc/70/15/33/1225701533.db2.gz MGYNFOFUUKHTQQ-WBVHZDCISA-N 2 1 365.474 0.887 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223361590 1225701538 /nfs/dbraw/zinc/70/15/38/1225701538.db2.gz MGYNFOFUUKHTQQ-WBVHZDCISA-N 2 1 365.474 0.887 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)CC1 ZINC001223410951 1225705070 /nfs/dbraw/zinc/70/50/70/1225705070.db2.gz JKOASSFJXGVPTA-QAPCUYQASA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCNC(=O)C3CC3)CC2)O1 ZINC001223569286 1225716714 /nfs/dbraw/zinc/71/67/14/1225716714.db2.gz BGPSGPMQINXPGO-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)N4CCCC4)C3)C2)CC[N@H+]1C ZINC001041296314 1217270306 /nfs/dbraw/zinc/27/03/06/1217270306.db2.gz FTAIOYMLIGFSAA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N4CCCC4)C3)C2)CC[NH+]1C ZINC001041296314 1217270310 /nfs/dbraw/zinc/27/03/10/1217270310.db2.gz FTAIOYMLIGFSAA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)N4CCCC4)C3)C2)CC[NH+]1C ZINC001041296314 1217270314 /nfs/dbraw/zinc/27/03/14/1217270314.db2.gz FTAIOYMLIGFSAA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCN4CCNC4=O)C3)C2)CC[N@H+]1C ZINC001041297510 1217271027 /nfs/dbraw/zinc/27/10/27/1217271027.db2.gz QFJKNTOCODBMHB-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCN4CCNC4=O)C3)C2)CC[NH+]1C ZINC001041297510 1217271032 /nfs/dbraw/zinc/27/10/32/1217271032.db2.gz QFJKNTOCODBMHB-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCN4CCNC4=O)C3)C2)CC[NH+]1C ZINC001041297510 1217271038 /nfs/dbraw/zinc/27/10/38/1217271038.db2.gz QFJKNTOCODBMHB-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@H+]1C ZINC001041308192 1217276344 /nfs/dbraw/zinc/27/63/44/1217276344.db2.gz UVENKRMJQYGFPT-SCTDSRPQSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001041308192 1217276349 /nfs/dbraw/zinc/27/63/49/1217276349.db2.gz UVENKRMJQYGFPT-SCTDSRPQSA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001041308192 1217276353 /nfs/dbraw/zinc/27/63/53/1217276353.db2.gz UVENKRMJQYGFPT-SCTDSRPQSA-N 2 1 360.506 0.933 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc(C)[nH+]1 ZINC001041388783 1217306692 /nfs/dbraw/zinc/30/66/92/1217306692.db2.gz TZVUMZGSQMKEMJ-ZJIFWQFVSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc(C)[nH+]1 ZINC001041388783 1217306698 /nfs/dbraw/zinc/30/66/98/1217306698.db2.gz TZVUMZGSQMKEMJ-ZJIFWQFVSA-N 2 1 361.490 0.743 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911125 1225744932 /nfs/dbraw/zinc/74/49/32/1225744932.db2.gz AFIRDBGCEVTYOO-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911125 1225744934 /nfs/dbraw/zinc/74/49/34/1225744934.db2.gz AFIRDBGCEVTYOO-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916994 1225745695 /nfs/dbraw/zinc/74/56/95/1225745695.db2.gz YJSYGCLUMYFQGR-RKVPGOIHSA-N 2 1 362.474 0.691 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916994 1225745702 /nfs/dbraw/zinc/74/57/02/1225745702.db2.gz YJSYGCLUMYFQGR-RKVPGOIHSA-N 2 1 362.474 0.691 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001043271978 1217624475 /nfs/dbraw/zinc/62/44/75/1217624475.db2.gz MKHBQJMYERDPCC-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001043271978 1217624481 /nfs/dbraw/zinc/62/44/81/1217624481.db2.gz MKHBQJMYERDPCC-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043271978 1217624487 /nfs/dbraw/zinc/62/44/87/1217624487.db2.gz MKHBQJMYERDPCC-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CCc1cc(N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044207285 1217818023 /nfs/dbraw/zinc/81/80/23/1217818023.db2.gz NRQQQZYRBRDNRO-BBWFWOEESA-N 2 1 359.474 0.355 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224298078 1225770977 /nfs/dbraw/zinc/77/09/77/1225770977.db2.gz MFHSYRFOUYHVLE-SJORKVTESA-N 2 1 359.474 0.674 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044735966 1217875581 /nfs/dbraw/zinc/87/55/81/1217875581.db2.gz GWYCUNVKALSFDT-CVEARBPZSA-N 2 1 359.474 0.635 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276981863 1225784474 /nfs/dbraw/zinc/78/44/74/1225784474.db2.gz IKUZEJDUKABAAW-FXAWDEMLSA-N 2 1 358.486 0.612 20 0 FCADMP COc1cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000900480580 1217995706 /nfs/dbraw/zinc/99/57/06/1217995706.db2.gz IIMZGYWCENJENS-HNAYVOBHSA-N 2 1 365.474 0.707 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900497977 1217999313 /nfs/dbraw/zinc/99/93/13/1217999313.db2.gz QLRKJEGRMOTZSZ-MRXNPFEDSA-N 2 1 364.494 0.117 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686724 1218024116 /nfs/dbraw/zinc/02/41/16/1218024116.db2.gz OMOMLDKYCSARBY-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686724 1218024120 /nfs/dbraw/zinc/02/41/20/1218024120.db2.gz OMOMLDKYCSARBY-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900807559 1218040310 /nfs/dbraw/zinc/04/03/10/1218040310.db2.gz UQPBALWLYHZGRI-FXAWDEMLSA-N 2 1 373.545 0.798 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3nccnc3F)CC2)CC[N@@H+]1C ZINC001096259075 1218196606 /nfs/dbraw/zinc/19/66/06/1218196606.db2.gz PNYBFPDWJNPQLK-HUUCEWRRSA-N 2 1 364.469 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3nccnc3F)CC2)CC[N@H+]1C ZINC001096259075 1218196609 /nfs/dbraw/zinc/19/66/09/1218196609.db2.gz PNYBFPDWJNPQLK-HUUCEWRRSA-N 2 1 364.469 0.584 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001096355862 1218262839 /nfs/dbraw/zinc/26/28/39/1218262839.db2.gz FHOSZNZVXPRACX-UGUYLWEFSA-N 2 1 356.474 0.583 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001096355915 1218262966 /nfs/dbraw/zinc/26/29/66/1218262966.db2.gz HQKLUPWCOXCOHP-OWSLCNJRSA-N 2 1 372.513 0.957 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001096355915 1218262973 /nfs/dbraw/zinc/26/29/73/1218262973.db2.gz HQKLUPWCOXCOHP-OWSLCNJRSA-N 2 1 372.513 0.957 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001225379031 1225809328 /nfs/dbraw/zinc/80/93/28/1225809328.db2.gz WBEXUXWPRMQCOX-ZACQAIPSSA-N 2 1 366.506 0.393 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829749 1218324510 /nfs/dbraw/zinc/32/45/10/1218324510.db2.gz VLUDVHIDZOCHDN-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP COc1nccc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829749 1218324519 /nfs/dbraw/zinc/32/45/19/1218324519.db2.gz VLUDVHIDZOCHDN-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP COc1nccc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829749 1218324524 /nfs/dbraw/zinc/32/45/24/1218324524.db2.gz VLUDVHIDZOCHDN-PNBKFKSVSA-N 2 1 359.474 0.716 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524726 1225814807 /nfs/dbraw/zinc/81/48/07/1225814807.db2.gz IUTAFERIJBKZPU-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524726 1225814809 /nfs/dbraw/zinc/81/48/09/1225814809.db2.gz IUTAFERIJBKZPU-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCCC2)C1 ZINC001225526092 1225814852 /nfs/dbraw/zinc/81/48/52/1225814852.db2.gz XCQFRDUBDSFXJD-ZACQAIPSSA-N 2 1 366.506 0.393 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCCC2)C1 ZINC001225526092 1225814854 /nfs/dbraw/zinc/81/48/54/1225814854.db2.gz XCQFRDUBDSFXJD-ZACQAIPSSA-N 2 1 366.506 0.393 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524753 1225815270 /nfs/dbraw/zinc/81/52/70/1225815270.db2.gz JZCMSOYPXQYUBR-BZUAXINKSA-N 2 1 368.522 0.639 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524753 1225815273 /nfs/dbraw/zinc/81/52/73/1225815273.db2.gz JZCMSOYPXQYUBR-BZUAXINKSA-N 2 1 368.522 0.639 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049150069 1218389561 /nfs/dbraw/zinc/38/95/61/1218389561.db2.gz QDHFUGTYRHGXSZ-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049150069 1218389566 /nfs/dbraw/zinc/38/95/66/1218389566.db2.gz QDHFUGTYRHGXSZ-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049150069 1218389572 /nfs/dbraw/zinc/38/95/72/1218389572.db2.gz QDHFUGTYRHGXSZ-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP O=C1c2ccccc2C(=O)N1CCOCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000903476894 1218421725 /nfs/dbraw/zinc/42/17/25/1218421725.db2.gz NDLNOFUYVVMGOT-UHFFFAOYSA-N 2 1 361.442 0.346 20 0 FCADMP O=C1[C@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCN1C1CCOCC1 ZINC000903508379 1218430745 /nfs/dbraw/zinc/43/07/45/1218430745.db2.gz DZUVIWJGUXMOTB-CEXWTWQISA-N 2 1 362.518 0.667 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)CC1 ZINC001096543273 1218473050 /nfs/dbraw/zinc/47/30/50/1218473050.db2.gz NHRMLGMVUOHDTA-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)CC1 ZINC001096543273 1218473056 /nfs/dbraw/zinc/47/30/56/1218473056.db2.gz NHRMLGMVUOHDTA-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC001096543273 1218473063 /nfs/dbraw/zinc/47/30/63/1218473063.db2.gz NHRMLGMVUOHDTA-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001096543273 1218473067 /nfs/dbraw/zinc/47/30/67/1218473067.db2.gz NHRMLGMVUOHDTA-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741171 1218511902 /nfs/dbraw/zinc/51/19/02/1218511902.db2.gz NSAWJWYYRBOGPA-ZWKOTPCHSA-N 2 1 364.534 0.774 20 0 FCADMP COc1cc[nH+]c(N2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903891626 1218560676 /nfs/dbraw/zinc/56/06/76/1218560676.db2.gz MPBLIQUPUMFXOM-OAHLLOKOSA-N 2 1 357.462 0.928 20 0 FCADMP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903921156 1218565314 /nfs/dbraw/zinc/56/53/14/1218565314.db2.gz NHWULFHVVCVOCK-SJLPKXTDSA-N 2 1 356.474 0.992 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584932 1218567433 /nfs/dbraw/zinc/56/74/33/1218567433.db2.gz ZJYAUCILIJRFGO-VSZNYVQBSA-N 2 1 374.485 0.328 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584932 1218567441 /nfs/dbraw/zinc/56/74/41/1218567441.db2.gz ZJYAUCILIJRFGO-VSZNYVQBSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584932 1218567450 /nfs/dbraw/zinc/56/74/50/1218567450.db2.gz ZJYAUCILIJRFGO-VSZNYVQBSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001096584932 1218567454 /nfs/dbraw/zinc/56/74/54/1218567454.db2.gz ZJYAUCILIJRFGO-VSZNYVQBSA-N 2 1 374.485 0.328 20 0 FCADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000903937867 1218569251 /nfs/dbraw/zinc/56/92/51/1218569251.db2.gz SWZXQOQDRKGLCJ-QGZVFWFLSA-N 2 1 356.478 0.353 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)c1 ZINC001096604904 1218573743 /nfs/dbraw/zinc/57/37/43/1218573743.db2.gz UFSFTERGDDHMSV-OWSLCNJRSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)c1 ZINC001096604904 1218573747 /nfs/dbraw/zinc/57/37/47/1218573747.db2.gz UFSFTERGDDHMSV-OWSLCNJRSA-N 2 1 356.470 0.972 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000803995635 1218579158 /nfs/dbraw/zinc/57/91/58/1218579158.db2.gz JLJXSBSOMQHENE-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315307 1218773297 /nfs/dbraw/zinc/77/32/97/1218773297.db2.gz TYEIBAASNDPFCN-WCVJEAGWSA-N 2 1 374.485 0.389 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315307 1218773307 /nfs/dbraw/zinc/77/33/07/1218773307.db2.gz TYEIBAASNDPFCN-WCVJEAGWSA-N 2 1 374.485 0.389 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001097430659 1218808473 /nfs/dbraw/zinc/80/84/73/1218808473.db2.gz NLOQKMMTWHZTDR-WCXIOVBPSA-N 2 1 360.502 0.957 20 0 FCADMP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001097430659 1218808474 /nfs/dbraw/zinc/80/84/74/1218808474.db2.gz NLOQKMMTWHZTDR-WCXIOVBPSA-N 2 1 360.502 0.957 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357465 1219033293 /nfs/dbraw/zinc/03/32/93/1219033293.db2.gz LVHNMBOVJCASHN-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357465 1219033295 /nfs/dbraw/zinc/03/32/95/1219033295.db2.gz LVHNMBOVJCASHN-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055357465 1219033298 /nfs/dbraw/zinc/03/32/98/1219033298.db2.gz LVHNMBOVJCASHN-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055502537 1219061288 /nfs/dbraw/zinc/06/12/88/1219061288.db2.gz GMOJFCCFVQAPEZ-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055502537 1219061294 /nfs/dbraw/zinc/06/12/94/1219061294.db2.gz GMOJFCCFVQAPEZ-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055545322 1219074546 /nfs/dbraw/zinc/07/45/46/1219074546.db2.gz GFRGBTKBZFIPCG-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055545322 1219074555 /nfs/dbraw/zinc/07/45/55/1219074555.db2.gz GFRGBTKBZFIPCG-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)OC)CC2)CC[N@H+]1C ZINC001055583282 1219087639 /nfs/dbraw/zinc/08/76/39/1219087639.db2.gz HKOPRYTXSHNYGU-BHYGNILZSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1)[NH+](C)C ZINC001055601851 1219096063 /nfs/dbraw/zinc/09/60/63/1219096063.db2.gz FGLZYGRWNNCRAP-PVAVHDDUSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055610756 1219098342 /nfs/dbraw/zinc/09/83/42/1219098342.db2.gz VHEPPZBGEXSEPG-JXXFODFXSA-N 2 1 362.518 0.825 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804051105 1219103370 /nfs/dbraw/zinc/10/33/70/1219103370.db2.gz NEDUCXRAWAHLAT-YYIAUSFCSA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804051105 1219103375 /nfs/dbraw/zinc/10/33/75/1219103375.db2.gz NEDUCXRAWAHLAT-YYIAUSFCSA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804051105 1219103381 /nfs/dbraw/zinc/10/33/81/1219103381.db2.gz NEDUCXRAWAHLAT-YYIAUSFCSA-N 2 1 364.490 0.051 20 0 FCADMP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804054311 1219109174 /nfs/dbraw/zinc/10/91/74/1219109174.db2.gz REDDYQDUPHBKEW-XYJFISCASA-N 2 1 372.469 0.269 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061665 1219117091 /nfs/dbraw/zinc/11/70/91/1219117091.db2.gz WBENAPOVEMYVES-PMPSAXMXSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061665 1219117094 /nfs/dbraw/zinc/11/70/94/1219117094.db2.gz WBENAPOVEMYVES-PMPSAXMXSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000804062210 1219117599 /nfs/dbraw/zinc/11/75/99/1219117599.db2.gz DDXHBZTUVKRVLO-IRXDYDNUSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001070068177 1219131419 /nfs/dbraw/zinc/13/14/19/1219131419.db2.gz KRABVMVPWFNQRA-UAGQMJEPSA-N 2 1 364.494 0.121 20 0 FCADMP CN(C)CC[N@@H+]1CCC2(CN(C(=O)c3cn(-c4cc[nH+]cc4)cn3)C2)C1 ZINC001277201157 1225870921 /nfs/dbraw/zinc/87/09/21/1225870921.db2.gz QTBKITJBEUMMDM-UHFFFAOYSA-N 2 1 354.458 0.977 20 0 FCADMP CN(C)CC[N@H+]1CCC2(CN(C(=O)c3cn(-c4cc[nH+]cc4)cn3)C2)C1 ZINC001277201157 1225870923 /nfs/dbraw/zinc/87/09/23/1225870923.db2.gz QTBKITJBEUMMDM-UHFFFAOYSA-N 2 1 354.458 0.977 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070098886 1219171429 /nfs/dbraw/zinc/17/14/29/1219171429.db2.gz XWDQSBLRQATIPM-ZACQAIPSSA-N 2 1 362.478 0.142 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070098886 1219171430 /nfs/dbraw/zinc/17/14/30/1219171430.db2.gz XWDQSBLRQATIPM-ZACQAIPSSA-N 2 1 362.478 0.142 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001227443428 1225874942 /nfs/dbraw/zinc/87/49/42/1225874942.db2.gz KCLSMIGKWLRVGR-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001227443428 1225874946 /nfs/dbraw/zinc/87/49/46/1225874946.db2.gz KCLSMIGKWLRVGR-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070158198 1219243757 /nfs/dbraw/zinc/24/37/57/1219243757.db2.gz ARMJWESGRFBIAC-ZACQAIPSSA-N 2 1 355.446 0.309 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525478 1225878321 /nfs/dbraw/zinc/87/83/21/1225878321.db2.gz XDWRIGQQGCVXCM-HZPDHXFCSA-N 2 1 365.478 0.361 20 0 FCADMP CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070173772 1219264537 /nfs/dbraw/zinc/26/45/37/1219264537.db2.gz LPAYHGPMZUDSPW-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227614237 1225880113 /nfs/dbraw/zinc/88/01/13/1225880113.db2.gz UOESOVFFGBYVCS-HQWNSDKXSA-N 2 1 364.490 0.003 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070219801 1219301934 /nfs/dbraw/zinc/30/19/34/1219301934.db2.gz LAHJZBVSXBIZBQ-KURKYZTESA-N 2 1 369.473 0.699 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001070224275 1219304609 /nfs/dbraw/zinc/30/46/09/1219304609.db2.gz XCPWHECHOQHMRL-CVEARBPZSA-N 2 1 361.450 0.639 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234758 1219310287 /nfs/dbraw/zinc/31/02/87/1219310287.db2.gz GJIPGFRJYISHEV-WBVHZDCISA-N 2 1 357.462 0.804 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260349 1219330626 /nfs/dbraw/zinc/33/06/26/1219330626.db2.gz FAAFJBVTVLQPBC-IKGGRYGDSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260349 1219330630 /nfs/dbraw/zinc/33/06/30/1219330630.db2.gz FAAFJBVTVLQPBC-IKGGRYGDSA-N 2 1 364.494 0.385 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276582 1219343473 /nfs/dbraw/zinc/34/34/73/1219343473.db2.gz OBJOBNZBZRYDQE-PMPSAXMXSA-N 2 1 361.450 0.456 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001070411526 1219410219 /nfs/dbraw/zinc/41/02/19/1219410219.db2.gz QNAFURQVOHWREX-VHDGCEQUSA-N 2 1 362.478 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001070411526 1219410222 /nfs/dbraw/zinc/41/02/22/1219410222.db2.gz QNAFURQVOHWREX-VHDGCEQUSA-N 2 1 362.478 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001070411526 1219410225 /nfs/dbraw/zinc/41/02/25/1219410225.db2.gz QNAFURQVOHWREX-VHDGCEQUSA-N 2 1 362.478 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001070411526 1219410230 /nfs/dbraw/zinc/41/02/30/1219410230.db2.gz QNAFURQVOHWREX-VHDGCEQUSA-N 2 1 362.478 0.031 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001227954862 1225892184 /nfs/dbraw/zinc/89/21/84/1225892184.db2.gz ZGYFQXPVIXNQSS-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001227954862 1225892188 /nfs/dbraw/zinc/89/21/88/1225892188.db2.gz ZGYFQXPVIXNQSS-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4c[nH]nc43)C2)OCC1=O ZINC001277263078 1225893780 /nfs/dbraw/zinc/89/37/80/1225893780.db2.gz ZAODIJCGZLHWFT-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682269 1219522897 /nfs/dbraw/zinc/52/28/97/1219522897.db2.gz RVFAPKQAMQEPTH-NUJGCVRESA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682269 1219522901 /nfs/dbraw/zinc/52/29/01/1219522901.db2.gz RVFAPKQAMQEPTH-NUJGCVRESA-N 2 1 363.506 0.822 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccon1 ZINC001070717930 1219540264 /nfs/dbraw/zinc/54/02/64/1219540264.db2.gz CXEWDAWMPOBWTE-FVQBIDKESA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccon1 ZINC001070717930 1219540266 /nfs/dbraw/zinc/54/02/66/1219540266.db2.gz CXEWDAWMPOBWTE-FVQBIDKESA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070718175 1219541072 /nfs/dbraw/zinc/54/10/72/1219541072.db2.gz QQOIYLLCABLYNT-BRWVUGGUSA-N 2 1 371.489 0.153 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001228215416 1225900383 /nfs/dbraw/zinc/90/03/83/1225900383.db2.gz GOMHMEJUXDTIPP-DJIMGWMZSA-N 2 1 361.490 0.907 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001070913594 1219566864 /nfs/dbraw/zinc/56/68/64/1219566864.db2.gz QTISRBKLDVAQBZ-XHSDSOJGSA-N 2 1 364.490 0.985 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+]([C@@H](C)COC)CC2)CC[N@@H+]1C ZINC001070965874 1219585096 /nfs/dbraw/zinc/58/50/96/1219585096.db2.gz YFXLTTOLOPCAQV-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+]([C@@H](C)COC)CC2)CC[N@H+]1C ZINC001070965874 1219585102 /nfs/dbraw/zinc/58/51/02/1219585102.db2.gz YFXLTTOLOPCAQV-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+]([C@@H](C)COC)CC2)CC[NH+]1C ZINC001070965874 1219585104 /nfs/dbraw/zinc/58/51/04/1219585104.db2.gz YFXLTTOLOPCAQV-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+]([C@@H](C)COC)CC2)CC[NH+]1C ZINC001070965874 1219585110 /nfs/dbraw/zinc/58/51/10/1219585110.db2.gz YFXLTTOLOPCAQV-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(N)=O ZINC001071062372 1219597968 /nfs/dbraw/zinc/59/79/68/1219597968.db2.gz ZGZNXAXXVQQEMT-QBIMZIAESA-N 2 1 366.506 0.330 20 0 FCADMP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746581 1219620916 /nfs/dbraw/zinc/62/09/16/1219620916.db2.gz VIPUJCLDVUKFDM-JQHSSLGASA-N 2 1 365.518 0.648 20 0 FCADMP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073003910 1219631806 /nfs/dbraw/zinc/63/18/06/1219631806.db2.gz SDJFXSVSNPIINW-MSOLQXFVSA-N 2 1 370.497 0.612 20 0 FCADMP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073003910 1219631808 /nfs/dbraw/zinc/63/18/08/1219631808.db2.gz SDJFXSVSNPIINW-MSOLQXFVSA-N 2 1 370.497 0.612 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073003910 1219631810 /nfs/dbraw/zinc/63/18/10/1219631810.db2.gz SDJFXSVSNPIINW-MSOLQXFVSA-N 2 1 370.497 0.612 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073003910 1219631812 /nfs/dbraw/zinc/63/18/12/1219631812.db2.gz SDJFXSVSNPIINW-MSOLQXFVSA-N 2 1 370.497 0.612 20 0 FCADMP C[C@H]1[C@@H]([NH2+]Cc2ccc(CO)cc2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710842 1219717785 /nfs/dbraw/zinc/71/77/85/1219717785.db2.gz HUODPJHVLFVICB-LVFSCSRESA-N 2 1 361.486 0.977 20 0 FCADMP C[C@H]1[C@@H]([NH2+]Cc2ccc(CO)cc2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710842 1219717787 /nfs/dbraw/zinc/71/77/87/1219717787.db2.gz HUODPJHVLFVICB-LVFSCSRESA-N 2 1 361.486 0.977 20 0 FCADMP CCn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@H]2C)nn1 ZINC001074895645 1219729397 /nfs/dbraw/zinc/72/93/97/1219729397.db2.gz DOORCIYZBPYGCA-XZDPQHSOSA-N 2 1 357.462 0.914 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001098187777 1219735651 /nfs/dbraw/zinc/73/56/51/1219735651.db2.gz HSAZIBMWROYGNB-BDXSIMOUSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001098187777 1219735653 /nfs/dbraw/zinc/73/56/53/1219735653.db2.gz HSAZIBMWROYGNB-BDXSIMOUSA-N 2 1 360.502 0.718 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399033 1219773885 /nfs/dbraw/zinc/77/38/85/1219773885.db2.gz VQHMSYBTFFWCPJ-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399033 1219773888 /nfs/dbraw/zinc/77/38/88/1219773888.db2.gz VQHMSYBTFFWCPJ-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001098399033 1219773890 /nfs/dbraw/zinc/77/38/90/1219773890.db2.gz VQHMSYBTFFWCPJ-MLHJIOFPSA-N 2 1 356.470 0.959 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099122445 1219921649 /nfs/dbraw/zinc/92/16/49/1219921649.db2.gz UCSIBYOAXBMBAS-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)C1 ZINC001099122445 1219921654 /nfs/dbraw/zinc/92/16/54/1219921654.db2.gz UCSIBYOAXBMBAS-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)C1 ZINC001099122445 1219921656 /nfs/dbraw/zinc/92/16/56/1219921656.db2.gz UCSIBYOAXBMBAS-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001099436946 1219995383 /nfs/dbraw/zinc/99/53/83/1219995383.db2.gz DXSNFKUCLWEURC-FSZRXZPDSA-N 2 1 361.494 0.269 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001099436946 1219995388 /nfs/dbraw/zinc/99/53/88/1219995388.db2.gz DXSNFKUCLWEURC-FSZRXZPDSA-N 2 1 361.494 0.269 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099464350 1220005770 /nfs/dbraw/zinc/00/57/70/1220005770.db2.gz JAOPMGSLQUPIGW-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099535586 1220026734 /nfs/dbraw/zinc/02/67/34/1220026734.db2.gz OXORKTBBFCNMGO-BXWFABGCSA-N 2 1 359.474 0.688 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1C ZINC000751799367 1220042955 /nfs/dbraw/zinc/04/29/55/1220042955.db2.gz QDXRDAAQYPOZFE-MRXNPFEDSA-N 2 1 364.494 0.929 20 0 FCADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)CC1 ZINC000755779526 1220148310 /nfs/dbraw/zinc/14/83/10/1220148310.db2.gz JQKVMBCYZUFNNM-INIZCTEOSA-N 3 1 363.506 0.624 20 0 FCADMP C[NH+]1CCC([C@H]2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)CC1 ZINC000755779526 1220148313 /nfs/dbraw/zinc/14/83/13/1220148313.db2.gz JQKVMBCYZUFNNM-INIZCTEOSA-N 2 1 363.506 0.624 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C[C@@]4(CCOC4)CC3=O)CC2)CC1 ZINC000758263397 1220210531 /nfs/dbraw/zinc/21/05/31/1220210531.db2.gz IIKHXNMIZBVKOV-HXUWFJFHSA-N 2 1 364.534 0.932 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001101241413 1220241553 /nfs/dbraw/zinc/24/15/53/1220241553.db2.gz AKWLLPJNMTXELK-APWZRJJASA-N 2 1 363.506 0.875 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267592 1220256941 /nfs/dbraw/zinc/25/69/41/1220256941.db2.gz LQVUHLKDVDCXJU-GGPKGHCWSA-N 2 1 367.534 0.754 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267592 1220256946 /nfs/dbraw/zinc/25/69/46/1220256946.db2.gz LQVUHLKDVDCXJU-GGPKGHCWSA-N 2 1 367.534 0.754 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267592 1220256950 /nfs/dbraw/zinc/25/69/50/1220256950.db2.gz LQVUHLKDVDCXJU-GGPKGHCWSA-N 2 1 367.534 0.754 20 0 FCADMP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101291295 1220271400 /nfs/dbraw/zinc/27/14/00/1220271400.db2.gz AVKMTAFQQOYFAE-APWZRJJASA-N 2 1 358.442 0.737 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101300304 1220276878 /nfs/dbraw/zinc/27/68/78/1220276878.db2.gz RNTFNWHDNCGEKT-APWZRJJASA-N 2 1 361.490 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101300304 1220276880 /nfs/dbraw/zinc/27/68/80/1220276880.db2.gz RNTFNWHDNCGEKT-APWZRJJASA-N 2 1 361.490 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336516 1220292310 /nfs/dbraw/zinc/29/23/10/1220292310.db2.gz GAMNVWQHRGVAAQ-NSHGMRRFSA-N 2 1 367.534 0.898 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336516 1220292313 /nfs/dbraw/zinc/29/23/13/1220292313.db2.gz GAMNVWQHRGVAAQ-NSHGMRRFSA-N 2 1 367.534 0.898 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101336516 1220292316 /nfs/dbraw/zinc/29/23/16/1220292316.db2.gz GAMNVWQHRGVAAQ-NSHGMRRFSA-N 2 1 367.534 0.898 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378674 1220309726 /nfs/dbraw/zinc/30/97/26/1220309726.db2.gz AFASWWDJQSDGLI-GJYPPUQNSA-N 2 1 364.490 0.794 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378674 1220309731 /nfs/dbraw/zinc/30/97/31/1220309731.db2.gz AFASWWDJQSDGLI-GJYPPUQNSA-N 2 1 364.490 0.794 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382501 1220311497 /nfs/dbraw/zinc/31/14/97/1220311497.db2.gz KFNSZLZENWYYMZ-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001101389169 1220316634 /nfs/dbraw/zinc/31/66/34/1220316634.db2.gz HQNWGUIMDVCOAB-MJGOQNOKSA-N 2 1 363.506 0.875 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101413488 1220330026 /nfs/dbraw/zinc/33/00/26/1220330026.db2.gz OWBXEBMUHZRNFJ-QUCCMNQESA-N 2 1 367.534 0.896 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431303 1220339410 /nfs/dbraw/zinc/33/94/10/1220339410.db2.gz JEACMZTVFZMKCX-MDZRGWNJSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1noc([C@H](C)[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432183 1220341605 /nfs/dbraw/zinc/34/16/05/1220341605.db2.gz GESHQCIGKSZUDT-JOQOYGCGSA-N 2 1 365.478 0.798 20 0 FCADMP Cc1noc([C@H](C)[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432183 1220341607 /nfs/dbraw/zinc/34/16/07/1220341607.db2.gz GESHQCIGKSZUDT-JOQOYGCGSA-N 2 1 365.478 0.798 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443496 1220347434 /nfs/dbraw/zinc/34/74/34/1220347434.db2.gz HSPHNODFJKIICU-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443496 1220347438 /nfs/dbraw/zinc/34/74/38/1220347438.db2.gz HSPHNODFJKIICU-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443496 1220347443 /nfs/dbraw/zinc/34/74/43/1220347443.db2.gz HSPHNODFJKIICU-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461854 1220359935 /nfs/dbraw/zinc/35/99/35/1220359935.db2.gz WNBGINMGIWUHQT-APWZRJJASA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]2C)CC[NH+]1C ZINC001101982963 1220452495 /nfs/dbraw/zinc/45/24/95/1220452495.db2.gz UTSLIUJSYOFHJE-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982963 1220452496 /nfs/dbraw/zinc/45/24/96/1220452496.db2.gz UTSLIUJSYOFHJE-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)CC[N@H+]1C ZINC001101982963 1220452500 /nfs/dbraw/zinc/45/25/00/1220452500.db2.gz UTSLIUJSYOFHJE-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015455 1220462609 /nfs/dbraw/zinc/46/26/09/1220462609.db2.gz GFTKKMBHKGQJCZ-OAGGEKHMSA-N 2 1 371.501 0.376 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047522 1220477273 /nfs/dbraw/zinc/47/72/73/1220477273.db2.gz KBZSPYOEXSNLAU-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047522 1220477276 /nfs/dbraw/zinc/47/72/76/1220477276.db2.gz KBZSPYOEXSNLAU-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047767 1220477428 /nfs/dbraw/zinc/47/74/28/1220477428.db2.gz SBLUYGBGIQIZLY-KYJSFNMBSA-N 2 1 368.522 0.163 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102156237 1220527711 /nfs/dbraw/zinc/52/77/11/1220527711.db2.gz OKVUCTIPBLLKPR-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102156237 1220527720 /nfs/dbraw/zinc/52/77/20/1220527720.db2.gz OKVUCTIPBLLKPR-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC001102155724 1220527946 /nfs/dbraw/zinc/52/79/46/1220527946.db2.gz CRLCXKANNLTFPG-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC001102155724 1220527952 /nfs/dbraw/zinc/52/79/52/1220527952.db2.gz CRLCXKANNLTFPG-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185498 1220541723 /nfs/dbraw/zinc/54/17/23/1220541723.db2.gz FGYGQNZWVSPVKZ-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185498 1220541727 /nfs/dbraw/zinc/54/17/27/1220541727.db2.gz FGYGQNZWVSPVKZ-QGPMSJSTSA-N 2 1 360.506 0.874 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102290694 1220575627 /nfs/dbraw/zinc/57/56/27/1220575627.db2.gz QXPLHBCQKRCKKS-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102290694 1220575631 /nfs/dbraw/zinc/57/56/31/1220575631.db2.gz QXPLHBCQKRCKKS-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290418 1220576534 /nfs/dbraw/zinc/57/65/34/1220576534.db2.gz DGTQGZAJOSUMST-ZACQAIPSSA-N 2 1 363.506 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102316450 1220582841 /nfs/dbraw/zinc/58/28/41/1220582841.db2.gz QRYCTYSSRWJRGX-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320922 1220584778 /nfs/dbraw/zinc/58/47/78/1220584778.db2.gz ZIPOBKOTLNNRBB-HUUCEWRRSA-N 2 1 365.526 0.606 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001102357613 1220590664 /nfs/dbraw/zinc/59/06/64/1220590664.db2.gz CACXOCROAAWKRI-ZACQAIPSSA-N 2 1 367.538 0.816 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001102370413 1220598112 /nfs/dbraw/zinc/59/81/12/1220598112.db2.gz ZTGGVEBNLNELKA-HYVNUMGLSA-N 2 1 364.490 0.447 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001102370413 1220598118 /nfs/dbraw/zinc/59/81/18/1220598118.db2.gz ZTGGVEBNLNELKA-HYVNUMGLSA-N 2 1 364.490 0.447 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466719 1220636575 /nfs/dbraw/zinc/63/65/75/1220636575.db2.gz TXIBCXRLNQSGBE-KZNAEPCWSA-N 2 1 371.522 0.180 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466719 1220636578 /nfs/dbraw/zinc/63/65/78/1220636578.db2.gz TXIBCXRLNQSGBE-KZNAEPCWSA-N 2 1 371.522 0.180 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102466194 1220637336 /nfs/dbraw/zinc/63/73/36/1220637336.db2.gz IRMOIZWMSHOITE-OIISXLGYSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102466194 1220637339 /nfs/dbraw/zinc/63/73/39/1220637339.db2.gz IRMOIZWMSHOITE-OIISXLGYSA-N 2 1 361.490 0.934 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468912 1220639388 /nfs/dbraw/zinc/63/93/88/1220639388.db2.gz GDTLQTCQIDSMJL-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468912 1220639391 /nfs/dbraw/zinc/63/93/91/1220639391.db2.gz GDTLQTCQIDSMJL-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1noc(C[N@@H+]2C[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC001102489229 1220652065 /nfs/dbraw/zinc/65/20/65/1220652065.db2.gz YJCXZXUZWJMGIR-UKRRQHHQSA-N 2 1 365.478 0.673 20 0 FCADMP Cc1noc(C[N@H+]2C[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC001102489229 1220652069 /nfs/dbraw/zinc/65/20/69/1220652069.db2.gz YJCXZXUZWJMGIR-UKRRQHHQSA-N 2 1 365.478 0.673 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489256 1220652455 /nfs/dbraw/zinc/65/24/55/1220652455.db2.gz ZVMJLYKNEBIVNA-HZPDHXFCSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102497402 1220658214 /nfs/dbraw/zinc/65/82/14/1220658214.db2.gz RDUVNNLEBNDTJP-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102497402 1220658217 /nfs/dbraw/zinc/65/82/17/1220658217.db2.gz RDUVNNLEBNDTJP-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001102497402 1220658219 /nfs/dbraw/zinc/65/82/19/1220658219.db2.gz RDUVNNLEBNDTJP-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514136 1220673321 /nfs/dbraw/zinc/67/33/21/1220673321.db2.gz OAPOCTOKVVHJNX-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514136 1220673326 /nfs/dbraw/zinc/67/33/26/1220673326.db2.gz OAPOCTOKVVHJNX-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514136 1220673330 /nfs/dbraw/zinc/67/33/30/1220673330.db2.gz OAPOCTOKVVHJNX-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514048 1220673460 /nfs/dbraw/zinc/67/34/60/1220673460.db2.gz KTAAQCQIZZRRCF-BPQIPLTHSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514048 1220673461 /nfs/dbraw/zinc/67/34/61/1220673461.db2.gz KTAAQCQIZZRRCF-BPQIPLTHSA-N 2 1 368.522 0.165 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514048 1220673465 /nfs/dbraw/zinc/67/34/65/1220673465.db2.gz KTAAQCQIZZRRCF-BPQIPLTHSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515410 1220674721 /nfs/dbraw/zinc/67/47/21/1220674721.db2.gz RPHOFEPTIFXMMV-HUUCEWRRSA-N 2 1 361.490 0.970 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520717 1220678479 /nfs/dbraw/zinc/67/84/79/1220678479.db2.gz WIXROGZTCOALLL-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102525333 1220681923 /nfs/dbraw/zinc/68/19/23/1220681923.db2.gz XBTYYDWXZMRVOO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102525333 1220681926 /nfs/dbraw/zinc/68/19/26/1220681926.db2.gz XBTYYDWXZMRVOO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102525333 1220681928 /nfs/dbraw/zinc/68/19/28/1220681928.db2.gz XBTYYDWXZMRVOO-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579917 1220701675 /nfs/dbraw/zinc/70/16/75/1220701675.db2.gz XDBHOQCADCDIKP-HZPDHXFCSA-N 2 1 360.506 0.894 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579917 1220701678 /nfs/dbraw/zinc/70/16/78/1220701678.db2.gz XDBHOQCADCDIKP-HZPDHXFCSA-N 2 1 360.506 0.894 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579836 1220701789 /nfs/dbraw/zinc/70/17/89/1220701789.db2.gz SATSFWYXKBKYOS-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581008 1220702246 /nfs/dbraw/zinc/70/22/46/1220702246.db2.gz VJESHOJACLQCSG-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001229231723 1225990647 /nfs/dbraw/zinc/99/06/47/1225990647.db2.gz UGBCOAWSRAFTLP-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599895 1220721928 /nfs/dbraw/zinc/72/19/28/1220721928.db2.gz CIMLHBGBMYYNEP-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599895 1220721934 /nfs/dbraw/zinc/72/19/34/1220721934.db2.gz CIMLHBGBMYYNEP-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599895 1220721938 /nfs/dbraw/zinc/72/19/38/1220721938.db2.gz CIMLHBGBMYYNEP-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103050218 1220823919 /nfs/dbraw/zinc/82/39/19/1220823919.db2.gz XVOMDMGQKJILRQ-RBSFLKMASA-N 2 1 369.489 0.464 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103050218 1220823920 /nfs/dbraw/zinc/82/39/20/1220823920.db2.gz XVOMDMGQKJILRQ-RBSFLKMASA-N 2 1 369.489 0.464 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001103086986 1220830863 /nfs/dbraw/zinc/83/08/63/1220830863.db2.gz ZZNAVIOBDHJIPY-BRWVUGGUSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001103086986 1220830864 /nfs/dbraw/zinc/83/08/64/1220830864.db2.gz ZZNAVIOBDHJIPY-BRWVUGGUSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001103141426 1220840117 /nfs/dbraw/zinc/84/01/17/1220840117.db2.gz FIAZXTNYTFSFJY-BRWVUGGUSA-N 2 1 362.518 0.825 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156405 1220841865 /nfs/dbraw/zinc/84/18/65/1220841865.db2.gz BFVCPEBARSSOMU-KFWWJZLASA-N 2 1 366.506 0.596 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156405 1220841868 /nfs/dbraw/zinc/84/18/68/1220841868.db2.gz BFVCPEBARSSOMU-KFWWJZLASA-N 2 1 366.506 0.596 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156405 1220841872 /nfs/dbraw/zinc/84/18/72/1220841872.db2.gz BFVCPEBARSSOMU-KFWWJZLASA-N 2 1 366.506 0.596 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001103233242 1220854468 /nfs/dbraw/zinc/85/44/68/1220854468.db2.gz FSTIJCBYBSTOFE-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001103233242 1220854470 /nfs/dbraw/zinc/85/44/70/1220854470.db2.gz FSTIJCBYBSTOFE-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1occc1C[NH+](C)C ZINC001103373080 1220873023 /nfs/dbraw/zinc/87/30/23/1220873023.db2.gz BMMCDJSESMOEGH-FMKPAKJESA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380443 1220874107 /nfs/dbraw/zinc/87/41/07/1220874107.db2.gz XAOBMIPEXIXGBP-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379991 1220874198 /nfs/dbraw/zinc/87/41/98/1220874198.db2.gz DCOOBVXDZYVSAX-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379991 1220874199 /nfs/dbraw/zinc/87/41/99/1220874199.db2.gz DCOOBVXDZYVSAX-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+](CC)CC ZINC001103426947 1220880072 /nfs/dbraw/zinc/88/00/72/1220880072.db2.gz UISCBKJWLHSKLM-BZUAXINKSA-N 2 1 365.526 0.905 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+](CC)CC ZINC001103426947 1220880075 /nfs/dbraw/zinc/88/00/75/1220880075.db2.gz UISCBKJWLHSKLM-BZUAXINKSA-N 2 1 365.526 0.905 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438561 1220882778 /nfs/dbraw/zinc/88/27/78/1220882778.db2.gz PZHWYBGSZPGLLE-HUUCEWRRSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438561 1220882780 /nfs/dbraw/zinc/88/27/80/1220882780.db2.gz PZHWYBGSZPGLLE-HUUCEWRRSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438561 1220882783 /nfs/dbraw/zinc/88/27/83/1220882783.db2.gz PZHWYBGSZPGLLE-HUUCEWRRSA-N 2 1 363.510 0.516 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438561 1220882784 /nfs/dbraw/zinc/88/27/84/1220882784.db2.gz PZHWYBGSZPGLLE-HUUCEWRRSA-N 2 1 363.510 0.516 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537212 1220897622 /nfs/dbraw/zinc/89/76/22/1220897622.db2.gz ZKLLUIVDGKBQMN-QZTJIDSGSA-N 2 1 371.522 0.446 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537212 1220897628 /nfs/dbraw/zinc/89/76/28/1220897628.db2.gz ZKLLUIVDGKBQMN-QZTJIDSGSA-N 2 1 371.522 0.446 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584165 1220907351 /nfs/dbraw/zinc/90/73/51/1220907351.db2.gz FTCUSQWGTPCZNL-HUUCEWRRSA-N 2 1 365.478 0.755 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584165 1220907356 /nfs/dbraw/zinc/90/73/56/1220907356.db2.gz FTCUSQWGTPCZNL-HUUCEWRRSA-N 2 1 365.478 0.755 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001103643805 1220926270 /nfs/dbraw/zinc/92/62/70/1220926270.db2.gz RCKOGJUBEASQFQ-CRAIPNDOSA-N 2 1 363.506 0.937 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654819 1220929451 /nfs/dbraw/zinc/92/94/51/1220929451.db2.gz DAPPZLOBQBDULA-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[NH+](C)C3)C2)n1C ZINC001103719069 1220951058 /nfs/dbraw/zinc/95/10/58/1220951058.db2.gz PIFOBWQZDNGSRR-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[NH+](C)C3)C2)n1C ZINC001103719069 1220951064 /nfs/dbraw/zinc/95/10/64/1220951064.db2.gz PIFOBWQZDNGSRR-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1C ZINC001103719069 1220951071 /nfs/dbraw/zinc/95/10/71/1220951071.db2.gz PIFOBWQZDNGSRR-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1C ZINC001103719069 1220951074 /nfs/dbraw/zinc/95/10/74/1220951074.db2.gz PIFOBWQZDNGSRR-BZUAXINKSA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722311 1220951955 /nfs/dbraw/zinc/95/19/55/1220951955.db2.gz HZUJINPBWKLPII-HZPDHXFCSA-N 2 1 366.485 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722311 1220951968 /nfs/dbraw/zinc/95/19/68/1220951968.db2.gz HZUJINPBWKLPII-HZPDHXFCSA-N 2 1 366.485 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719259 1220952148 /nfs/dbraw/zinc/95/21/48/1220952148.db2.gz WXPKFWXKYHJOQE-NXHRZFHOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719259 1220952153 /nfs/dbraw/zinc/95/21/53/1220952153.db2.gz WXPKFWXKYHJOQE-NXHRZFHOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719259 1220952168 /nfs/dbraw/zinc/95/21/68/1220952168.db2.gz WXPKFWXKYHJOQE-NXHRZFHOSA-N 2 1 364.534 0.929 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740420 1220958971 /nfs/dbraw/zinc/95/89/71/1220958971.db2.gz HAJYXBNRQXJHGY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740420 1220958976 /nfs/dbraw/zinc/95/89/76/1220958976.db2.gz HAJYXBNRQXJHGY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740420 1220958980 /nfs/dbraw/zinc/95/89/80/1220958980.db2.gz HAJYXBNRQXJHGY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740420 1220958983 /nfs/dbraw/zinc/95/89/83/1220958983.db2.gz HAJYXBNRQXJHGY-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103755374 1220966502 /nfs/dbraw/zinc/96/65/02/1220966502.db2.gz FAPLDRQXQFESAQ-KURKYZTESA-N 2 1 365.522 0.658 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103755374 1220966507 /nfs/dbraw/zinc/96/65/07/1220966507.db2.gz FAPLDRQXQFESAQ-KURKYZTESA-N 2 1 365.522 0.658 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103755374 1220966518 /nfs/dbraw/zinc/96/65/18/1220966518.db2.gz FAPLDRQXQFESAQ-KURKYZTESA-N 2 1 365.522 0.658 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773523 1220969714 /nfs/dbraw/zinc/96/97/14/1220969714.db2.gz BMFYETBSZLONIY-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773523 1220969715 /nfs/dbraw/zinc/96/97/15/1220969715.db2.gz BMFYETBSZLONIY-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001103773523 1220969719 /nfs/dbraw/zinc/96/97/19/1220969719.db2.gz BMFYETBSZLONIY-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001103773523 1220969721 /nfs/dbraw/zinc/96/97/21/1220969721.db2.gz BMFYETBSZLONIY-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001103999869 1220996425 /nfs/dbraw/zinc/99/64/25/1220996425.db2.gz NIHVTOLRCLDGJP-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000019 1220996443 /nfs/dbraw/zinc/99/64/43/1220996443.db2.gz SISHHLGWJUFSRX-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001103999970 1220996620 /nfs/dbraw/zinc/99/66/20/1220996620.db2.gz QGMRSNRHWKDLFU-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2)C1CCC1 ZINC001111778538 1221104928 /nfs/dbraw/zinc/10/49/28/1221104928.db2.gz CGIGULVHPKLFOW-KXBFYZLASA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2)C1CCC1 ZINC001111778538 1221104931 /nfs/dbraw/zinc/10/49/31/1221104931.db2.gz CGIGULVHPKLFOW-KXBFYZLASA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2)C1CCC1 ZINC001111778538 1221104934 /nfs/dbraw/zinc/10/49/34/1221104934.db2.gz CGIGULVHPKLFOW-KXBFYZLASA-N 2 1 363.506 0.467 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000888092321 1221136564 /nfs/dbraw/zinc/13/65/64/1221136564.db2.gz ULAHAHVPGCWSKN-FQEVSTJZSA-N 2 1 373.497 0.980 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2)[NH+](CC)CC ZINC001111869062 1221143140 /nfs/dbraw/zinc/14/31/40/1221143140.db2.gz WBJWWDASNLGHCR-DEYYWGMASA-N 2 1 367.494 0.272 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2)[NH+](CC)CC ZINC001111869062 1221143143 /nfs/dbraw/zinc/14/31/43/1221143143.db2.gz WBJWWDASNLGHCR-DEYYWGMASA-N 2 1 367.494 0.272 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2)[NH+](C)C ZINC001111876240 1221146299 /nfs/dbraw/zinc/14/62/99/1221146299.db2.gz VWPFSIAXLJPHIK-DOXZYTNZSA-N 2 1 364.490 0.446 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)CC1 ZINC001111917225 1221167654 /nfs/dbraw/zinc/16/76/54/1221167654.db2.gz RJQIUQHCNXWBKQ-LPHOPBHVSA-N 2 1 369.506 0.077 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917271 1221167702 /nfs/dbraw/zinc/16/77/02/1221167702.db2.gz UIRPMFDKUUHYQB-KXBFYZLASA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917271 1221167704 /nfs/dbraw/zinc/16/77/04/1221167704.db2.gz UIRPMFDKUUHYQB-KXBFYZLASA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937898 1221178559 /nfs/dbraw/zinc/17/85/59/1221178559.db2.gz APTRMGOQZMDCJP-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937898 1221178562 /nfs/dbraw/zinc/17/85/62/1221178562.db2.gz APTRMGOQZMDCJP-BXWFABGCSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111938284 1221180104 /nfs/dbraw/zinc/18/01/04/1221180104.db2.gz UPUZFTLOWOKUBN-LPHOPBHVSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111938284 1221180108 /nfs/dbraw/zinc/18/01/08/1221180108.db2.gz UPUZFTLOWOKUBN-LPHOPBHVSA-N 2 1 366.506 0.062 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(=O)NC)C2 ZINC001111950887 1221182715 /nfs/dbraw/zinc/18/27/15/1221182715.db2.gz GVROPSDXDNAQKH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NC)C2 ZINC001111950887 1221182718 /nfs/dbraw/zinc/18/27/18/1221182718.db2.gz GVROPSDXDNAQKH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(=O)NC)C2 ZINC001111950887 1221182721 /nfs/dbraw/zinc/18/27/21/1221182721.db2.gz GVROPSDXDNAQKH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NC)C2 ZINC001111950887 1221182722 /nfs/dbraw/zinc/18/27/22/1221182722.db2.gz GVROPSDXDNAQKH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)C2 ZINC001111950887 1221182725 /nfs/dbraw/zinc/18/27/25/1221182725.db2.gz GVROPSDXDNAQKH-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001112021274 1221203387 /nfs/dbraw/zinc/20/33/87/1221203387.db2.gz DIGXTLYCCKHZDK-WMZOPIPTSA-N 2 1 357.462 0.926 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2ccon2)C1 ZINC001229683347 1226027811 /nfs/dbraw/zinc/02/78/11/1226027811.db2.gz SGWSBHJACFEQBV-RBSFLKMASA-N 2 1 363.462 0.972 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCCC2)CC[N@H+]1C ZINC001115545169 1221313011 /nfs/dbraw/zinc/31/30/11/1221313011.db2.gz UZCAVGFRHXLJQV-UONOGXRCSA-N 2 1 367.494 0.320 20 0 FCADMP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593790 1221317066 /nfs/dbraw/zinc/31/70/66/1221317066.db2.gz PIKRGXFBXQESLD-HZPDHXFCSA-N 2 1 368.522 0.640 20 0 FCADMP CCCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593790 1221317069 /nfs/dbraw/zinc/31/70/69/1221317069.db2.gz PIKRGXFBXQESLD-HZPDHXFCSA-N 2 1 368.522 0.640 20 0 FCADMP COCCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594032 1221317588 /nfs/dbraw/zinc/31/75/88/1221317588.db2.gz VNDXAMJODUSBNZ-IAGOWNOFSA-N 2 1 371.522 0.777 20 0 FCADMP COCCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594032 1221317593 /nfs/dbraw/zinc/31/75/93/1221317593.db2.gz VNDXAMJODUSBNZ-IAGOWNOFSA-N 2 1 371.522 0.777 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC001116829077 1221393307 /nfs/dbraw/zinc/39/33/07/1221393307.db2.gz IKRDPTDVEUOHGP-CQSZACIVSA-N 2 1 362.478 0.546 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001230138160 1226056946 /nfs/dbraw/zinc/05/69/46/1226056946.db2.gz IHTCQDZDAMYEMN-RBSFLKMASA-N 2 1 363.462 0.890 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147428 1226058479 /nfs/dbraw/zinc/05/84/79/1226058479.db2.gz FOGPHTKZZOTRDQ-HZPDHXFCSA-N 2 1 365.478 0.361 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3ccccc3C[NH3+])CC2)c1 ZINC001117980638 1221675279 /nfs/dbraw/zinc/67/52/79/1221675279.db2.gz KEDAUFTXLYDCHX-UHFFFAOYSA-N 2 1 367.453 0.814 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215780 1226064894 /nfs/dbraw/zinc/06/48/94/1226064894.db2.gz XYYITYKBVPITDZ-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215780 1226064902 /nfs/dbraw/zinc/06/49/02/1226064902.db2.gz XYYITYKBVPITDZ-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC001119298109 1221897965 /nfs/dbraw/zinc/89/79/65/1221897965.db2.gz XBYNBXSWEMRHFO-LBPRGKRZSA-N 2 1 372.420 0.544 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC001119412421 1221914307 /nfs/dbraw/zinc/91/43/07/1221914307.db2.gz GZDLAFCPVLPSNZ-VGWMRTNUSA-N 2 1 368.522 0.624 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[nH+]1 ZINC001120443809 1222086379 /nfs/dbraw/zinc/08/63/79/1222086379.db2.gz RCHVZTAPRMAEJX-UHFFFAOYSA-N 2 1 359.474 0.910 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001120487628 1222093712 /nfs/dbraw/zinc/09/37/12/1222093712.db2.gz CIJBFVCAGRGYMD-INIZCTEOSA-N 2 1 374.485 0.261 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001120676220 1222114439 /nfs/dbraw/zinc/11/44/39/1222114439.db2.gz VQOQWBHYUNYKHV-GVDBMIGSSA-N 2 1 365.522 0.761 20 0 FCADMP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001121920645 1222223800 /nfs/dbraw/zinc/22/38/00/1222223800.db2.gz JZWMDBVEHLWKRB-FQEVSTJZSA-N 2 1 374.485 0.464 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001121981081 1222229198 /nfs/dbraw/zinc/22/91/98/1222229198.db2.gz GTYXVLOIRFUKKV-LJQANCHMSA-N 2 1 360.502 0.863 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636303 1222345641 /nfs/dbraw/zinc/34/56/41/1222345641.db2.gz KLRQYCZSKVEQEU-FXAWDEMLSA-N 2 1 371.529 0.935 20 0 FCADMP CC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CCOC)CC1 ZINC000828994817 1222423928 /nfs/dbraw/zinc/42/39/28/1222423928.db2.gz IPGWHHONLBWJTF-CVEARBPZSA-N 2 1 364.494 0.602 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001138465804 1222510142 /nfs/dbraw/zinc/51/01/42/1222510142.db2.gz UCRURFQGFLQKOF-UHFFFAOYSA-N 2 1 373.457 0.520 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698809 1222585332 /nfs/dbraw/zinc/58/53/32/1222585332.db2.gz OHHANQKGMSVMFO-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698809 1222585335 /nfs/dbraw/zinc/58/53/35/1222585335.db2.gz OHHANQKGMSVMFO-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834698809 1222585338 /nfs/dbraw/zinc/58/53/38/1222585338.db2.gz OHHANQKGMSVMFO-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834698809 1222585340 /nfs/dbraw/zinc/58/53/40/1222585340.db2.gz OHHANQKGMSVMFO-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP COc1nccc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)n1 ZINC001140692368 1222606340 /nfs/dbraw/zinc/60/63/40/1222606340.db2.gz SABIMGGEAQYVLH-UHFFFAOYSA-N 2 1 357.458 0.809 20 0 FCADMP Cc1ncc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cn1 ZINC001203112184 1222726346 /nfs/dbraw/zinc/72/63/46/1222726346.db2.gz MJEGQVPIYQSPPK-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1C[NH+](C)C ZINC000839483694 1222741569 /nfs/dbraw/zinc/74/15/69/1222741569.db2.gz FIDQGPGAVRFBER-QZTJIDSGSA-N 2 1 374.485 0.975 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232493555 1226154207 /nfs/dbraw/zinc/15/42/07/1226154207.db2.gz HYUIJKVGYLZBTD-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP CN(C)c1ncnc2c1cc(C(=O)N1CCN(C[C@H]3CCOC3)CC1)n2C ZINC001142251017 1222818842 /nfs/dbraw/zinc/81/88/42/1222818842.db2.gz TYACWKMNDRTBHR-CQSZACIVSA-N 2 1 372.473 0.829 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000842082571 1222835258 /nfs/dbraw/zinc/83/52/58/1222835258.db2.gz XYEKQGPPFDANDM-KHYOSLBOSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000842082571 1222835259 /nfs/dbraw/zinc/83/52/59/1222835259.db2.gz XYEKQGPPFDANDM-KHYOSLBOSA-N 2 1 366.506 0.345 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cn1 ZINC000842161494 1222837805 /nfs/dbraw/zinc/83/78/05/1222837805.db2.gz DRJAJTXKBNQKAC-CZUORRHYSA-N 2 1 370.457 0.778 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000842162323 1222838379 /nfs/dbraw/zinc/83/83/79/1222838379.db2.gz HRWUCANQKFWHCZ-BBRMVZONSA-N 2 1 370.457 0.635 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+](C)C[C@]2(O)CCc3ccccc32)C1=O ZINC000843270678 1222868440 /nfs/dbraw/zinc/86/84/40/1222868440.db2.gz XRFTUHUYDNCKSJ-YLJYHZDGSA-N 2 1 359.470 0.831 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+](C)C[C@]2(O)CCc3ccccc32)C1=O ZINC000843270678 1222868442 /nfs/dbraw/zinc/86/84/42/1222868442.db2.gz XRFTUHUYDNCKSJ-YLJYHZDGSA-N 2 1 359.470 0.831 20 0 FCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843345931 1222870738 /nfs/dbraw/zinc/87/07/38/1222870738.db2.gz GPHDAHFKMKHNRV-CQSZACIVSA-N 2 1 365.478 0.594 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000843349057 1222871532 /nfs/dbraw/zinc/87/15/32/1222871532.db2.gz FJXOGLMEPJENHO-UHFFFAOYSA-N 2 1 365.478 0.450 20 0 FCADMP C[NH+]1CCN(CCC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001143230469 1222871883 /nfs/dbraw/zinc/87/18/83/1222871883.db2.gz JRILTVOVWCGHLR-UHFFFAOYSA-N 2 1 374.533 0.501 20 0 FCADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(-n2cnnn2)ccc1F ZINC000843364813 1222873993 /nfs/dbraw/zinc/87/39/93/1222873993.db2.gz VRVMESNNPBEZPS-UHFFFAOYSA-N 2 1 359.409 0.815 20 0 FCADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(-n2cnnn2)ccc1F ZINC000843364813 1222873995 /nfs/dbraw/zinc/87/39/95/1222873995.db2.gz VRVMESNNPBEZPS-UHFFFAOYSA-N 2 1 359.409 0.815 20 0 FCADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385925 1222874615 /nfs/dbraw/zinc/87/46/15/1222874615.db2.gz FRICPHRAAQZNLK-ZIAGYGMSSA-N 2 1 363.462 0.346 20 0 FCADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385925 1222874617 /nfs/dbraw/zinc/87/46/17/1222874617.db2.gz FRICPHRAAQZNLK-ZIAGYGMSSA-N 2 1 363.462 0.346 20 0 FCADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385921 1222874764 /nfs/dbraw/zinc/87/47/64/1222874764.db2.gz FRICPHRAAQZNLK-KGLIPLIRSA-N 2 1 363.462 0.346 20 0 FCADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843385921 1222874765 /nfs/dbraw/zinc/87/47/65/1222874765.db2.gz FRICPHRAAQZNLK-KGLIPLIRSA-N 2 1 363.462 0.346 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001143306623 1222877050 /nfs/dbraw/zinc/87/70/50/1222877050.db2.gz GDRATIHZBYINIJ-LJQANCHMSA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001143306623 1222877051 /nfs/dbraw/zinc/87/70/51/1222877051.db2.gz GDRATIHZBYINIJ-LJQANCHMSA-N 2 1 366.506 0.015 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC([NH+](C)C)C3)cn21 ZINC001150389749 1222899967 /nfs/dbraw/zinc/89/99/67/1222899967.db2.gz OGRFBTUTMJRXMN-OAHLLOKOSA-N 2 1 357.462 0.034 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC([NH+](C)C)C3)cn21 ZINC001150389749 1222899972 /nfs/dbraw/zinc/89/99/72/1222899972.db2.gz OGRFBTUTMJRXMN-OAHLLOKOSA-N 2 1 357.462 0.034 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH+](C)C3)cn21 ZINC001150398909 1222901264 /nfs/dbraw/zinc/90/12/64/1222901264.db2.gz HHQTXLDWVRHSJJ-JKSUJKDBSA-N 2 1 371.489 0.472 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH+](C)C3)cn21 ZINC001150398909 1222901269 /nfs/dbraw/zinc/90/12/69/1222901269.db2.gz HHQTXLDWVRHSJJ-JKSUJKDBSA-N 2 1 371.489 0.472 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cn21 ZINC001150398909 1222901276 /nfs/dbraw/zinc/90/12/76/1222901276.db2.gz HHQTXLDWVRHSJJ-JKSUJKDBSA-N 2 1 371.489 0.472 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cn21 ZINC001150398909 1222901280 /nfs/dbraw/zinc/90/12/80/1222901280.db2.gz HHQTXLDWVRHSJJ-JKSUJKDBSA-N 2 1 371.489 0.472 20 0 FCADMP CC[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001277712570 1226168590 /nfs/dbraw/zinc/16/85/90/1226168590.db2.gz JWVJDENMCYKGSJ-QUCCMNQESA-N 2 1 366.550 0.852 20 0 FCADMP CC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001277712570 1226168593 /nfs/dbraw/zinc/16/85/93/1226168593.db2.gz JWVJDENMCYKGSJ-QUCCMNQESA-N 2 1 366.550 0.852 20 0 FCADMP CC[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001277712570 1226168601 /nfs/dbraw/zinc/16/86/01/1226168601.db2.gz JWVJDENMCYKGSJ-QUCCMNQESA-N 2 1 366.550 0.852 20 0 FCADMP CCOC(=O)[C@]12CN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)C[C@H]1C[NH2+]CC2 ZINC001154686874 1223016173 /nfs/dbraw/zinc/01/61/73/1223016173.db2.gz IEROCMBNDORVOT-ADLMAVQZSA-N 2 1 373.413 0.724 20 0 FCADMP CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155372908 1223034054 /nfs/dbraw/zinc/03/40/54/1223034054.db2.gz KXIJPVAWFCUDCA-ZDUSSCGKSA-N 2 1 358.446 0.994 20 0 FCADMP C1CCN(c2nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c(N3CCCC3)n2)C1 ZINC001155627412 1223040208 /nfs/dbraw/zinc/04/02/08/1223040208.db2.gz ZWARILSJYGMFKW-HNAYVOBHSA-N 2 1 373.505 0.817 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000977805764 1248654527 /nfs/dbraw/zinc/65/45/27/1248654527.db2.gz IFOBOCUUFDTQTD-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@H+]1C ZINC001158411555 1223096672 /nfs/dbraw/zinc/09/66/72/1223096672.db2.gz FMFSCKYZPNUUFG-BPQIPLTHSA-N 2 1 371.522 0.369 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158411284 1223096971 /nfs/dbraw/zinc/09/69/71/1223096971.db2.gz BQPJZHJPBCWQHS-LSDHHAIUSA-N 2 1 369.510 0.439 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1cccc(O)c1)CC2 ZINC001158890948 1223112053 /nfs/dbraw/zinc/11/20/53/1223112053.db2.gz QXPWFDJRFKONQY-KRWDZBQOSA-N 2 1 374.485 0.465 20 0 FCADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001159124257 1223117808 /nfs/dbraw/zinc/11/78/08/1223117808.db2.gz NBOXDGZCSGUGSY-BXWFABGCSA-N 2 1 368.522 0.437 20 0 FCADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001159124257 1223117810 /nfs/dbraw/zinc/11/78/10/1223117810.db2.gz NBOXDGZCSGUGSY-BXWFABGCSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2)C1 ZINC001159125326 1223117976 /nfs/dbraw/zinc/11/79/76/1223117976.db2.gz URTGZSTVIICKDV-FRQCXROJSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2)C1 ZINC001159125326 1223117978 /nfs/dbraw/zinc/11/79/78/1223117978.db2.gz URTGZSTVIICKDV-FRQCXROJSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccc([C@H]([NH3+])CN)cc2)C1 ZINC001159134816 1223118409 /nfs/dbraw/zinc/11/84/09/1223118409.db2.gz PTMXVYMYHNAPSC-WMLDXEAASA-N 2 1 356.474 0.675 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001159472575 1223127752 /nfs/dbraw/zinc/12/77/52/1223127752.db2.gz WHRCQDKOFZNPFL-CUDHKJQZSA-N 2 1 362.518 0.145 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2 ZINC001159471617 1223128067 /nfs/dbraw/zinc/12/80/67/1223128067.db2.gz IUAVHGCCCTXUGY-JTDSTZFVSA-N 2 1 367.490 0.474 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2 ZINC001159471617 1223128070 /nfs/dbraw/zinc/12/80/70/1223128070.db2.gz IUAVHGCCCTXUGY-JTDSTZFVSA-N 2 1 367.490 0.474 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159585695 1223130398 /nfs/dbraw/zinc/13/03/98/1223130398.db2.gz RSQIYJSQTZOMQY-INIZCTEOSA-N 2 1 361.490 0.610 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666085 1223132710 /nfs/dbraw/zinc/13/27/10/1223132710.db2.gz OYUNYUHLQVYGHQ-KZNAEPCWSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666085 1223132711 /nfs/dbraw/zinc/13/27/11/1223132711.db2.gz OYUNYUHLQVYGHQ-KZNAEPCWSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666085 1223132712 /nfs/dbraw/zinc/13/27/12/1223132712.db2.gz OYUNYUHLQVYGHQ-KZNAEPCWSA-N 2 1 370.457 0.176 20 0 FCADMP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664495 1223133024 /nfs/dbraw/zinc/13/30/24/1223133024.db2.gz FJXVZWWBNJXECF-XSLAGTTESA-N 2 1 362.449 0.973 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667138 1223133175 /nfs/dbraw/zinc/13/31/75/1223133175.db2.gz SUXGMRIIRUDJKO-OALUTQOASA-N 2 1 373.501 0.225 20 0 FCADMP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834571 1223137735 /nfs/dbraw/zinc/13/77/35/1223137735.db2.gz VONHCVVHGVBYTQ-KBMXLJTQSA-N 2 1 374.514 0.869 20 0 FCADMP O=C(N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159854532 1223138487 /nfs/dbraw/zinc/13/84/87/1223138487.db2.gz FDZHZVIUZNIWCT-UQWBFEFOSA-N 2 1 374.460 0.441 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856312 1223138524 /nfs/dbraw/zinc/13/85/24/1223138524.db2.gz SWJRGHKOAJHQEU-BPQIPLTHSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856312 1223138525 /nfs/dbraw/zinc/13/85/25/1223138525.db2.gz SWJRGHKOAJHQEU-BPQIPLTHSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856312 1223138528 /nfs/dbraw/zinc/13/85/28/1223138528.db2.gz SWJRGHKOAJHQEU-BPQIPLTHSA-N 2 1 373.432 0.783 20 0 FCADMP N[C@@H](CC[NH3+])C(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888684 1223138702 /nfs/dbraw/zinc/13/87/02/1223138702.db2.gz VBNIWGMVKCMUEF-RDJZCZTQSA-N 2 1 367.444 0.817 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888684 1223138705 /nfs/dbraw/zinc/13/87/05/1223138705.db2.gz VBNIWGMVKCMUEF-RDJZCZTQSA-N 3 1 367.444 0.817 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888684 1223138707 /nfs/dbraw/zinc/13/87/07/1223138707.db2.gz VBNIWGMVKCMUEF-RDJZCZTQSA-N 3 1 367.444 0.817 20 0 FCADMP O=C([C@H]1CC[NH2+]C[C@@H]1F)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065579 1223144215 /nfs/dbraw/zinc/14/42/15/1223144215.db2.gz LNGBMRPACYMQPQ-GJZGRUSLSA-N 2 1 358.421 0.862 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086105 1223144483 /nfs/dbraw/zinc/14/44/83/1223144483.db2.gz QVLLBPOQMQDMLS-PXNSSMCTSA-N 2 1 371.485 0.278 20 0 FCADMP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160382730 1223156410 /nfs/dbraw/zinc/15/64/10/1223156410.db2.gz SUAFOZHODHKFGO-UHFFFAOYSA-N 2 1 363.510 0.192 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423157 1223158926 /nfs/dbraw/zinc/15/89/26/1223158926.db2.gz KQLQSLNTENZJER-GDAAHCPNSA-N 2 1 357.502 0.702 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@H]21 ZINC001160423159 1223158939 /nfs/dbraw/zinc/15/89/39/1223158939.db2.gz KQLQSLNTENZJER-JCHJZTRSSA-N 2 1 357.502 0.702 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)C[C@H]21 ZINC001160422494 1223159028 /nfs/dbraw/zinc/15/90/28/1223159028.db2.gz HACXNTPTRZZKGT-AIHBUXEESA-N 2 1 358.486 0.863 20 0 FCADMP CC1(C)NC(=O)N(Cc2ccc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)nc2)C1=O ZINC001160520607 1223163323 /nfs/dbraw/zinc/16/33/23/1223163323.db2.gz RZRVNYKHQAKBJI-IBGZPJMESA-N 2 1 372.473 0.747 20 0 FCADMP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1)C1CC[NH2+]CC1 ZINC001160564980 1223165035 /nfs/dbraw/zinc/16/50/35/1223165035.db2.gz AIWMQKNCCKBVIV-QGZVFWFLSA-N 3 1 356.474 0.534 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656496 1223167831 /nfs/dbraw/zinc/16/78/31/1223167831.db2.gz XRYBBXKNDQXVOQ-BZUAXINKSA-N 2 1 363.458 0.432 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160844345 1223176693 /nfs/dbraw/zinc/17/66/93/1223176693.db2.gz ZLJVNTQRZTYVMB-UHFFFAOYSA-N 2 1 372.395 0.486 20 0 FCADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC1 ZINC001160826054 1223176814 /nfs/dbraw/zinc/17/68/14/1223176814.db2.gz QPJBMJDRBYOKSX-DNVCBOLYSA-N 2 1 359.474 0.861 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2COc3ccccc3O2)O1 ZINC001160850727 1223177706 /nfs/dbraw/zinc/17/77/06/1223177706.db2.gz FHKDNCKPTMDYFP-RVKKMQEKSA-N 2 1 363.458 0.641 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H]2COc3ccccc3O2)O1 ZINC001160850727 1223177710 /nfs/dbraw/zinc/17/77/10/1223177710.db2.gz FHKDNCKPTMDYFP-RVKKMQEKSA-N 2 1 363.458 0.641 20 0 FCADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160955990 1223181627 /nfs/dbraw/zinc/18/16/27/1223181627.db2.gz FJRVVFOTOGBYRS-UHOSZYNNSA-N 2 1 372.513 0.686 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958927 1223182678 /nfs/dbraw/zinc/18/26/78/1223182678.db2.gz JQTBALZWBOFLMO-UNQGMJICSA-N 2 1 358.446 0.354 20 0 FCADMP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161172426 1223188639 /nfs/dbraw/zinc/18/86/39/1223188639.db2.gz UJXBYMYWZGLUIH-UONOGXRCSA-N 2 1 363.462 0.307 20 0 FCADMP O=C([C@H]1CCCC[NH2+]C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197109 1223189192 /nfs/dbraw/zinc/18/91/92/1223189192.db2.gz ZVLLHIRSHTZVHP-IBGZPJMESA-N 3 1 366.550 0.927 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)CC1 ZINC001161371159 1223197128 /nfs/dbraw/zinc/19/71/28/1223197128.db2.gz BGTIWXUFSBMNPW-IAGOWNOFSA-N 3 1 372.517 0.158 20 0 FCADMP N[C@@H]1NCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2NCN[C@H]21 ZINC001162437287 1223215827 /nfs/dbraw/zinc/21/58/27/1223215827.db2.gz BENUJVVYYDKBKW-ZCNNSNEGSA-N 2 1 365.485 0.137 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001162729838 1223219082 /nfs/dbraw/zinc/21/90/82/1223219082.db2.gz JPFAPXVUOAMQJG-OAHLLOKOSA-N 2 1 364.494 0.772 20 0 FCADMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001163128658 1223227368 /nfs/dbraw/zinc/22/73/68/1223227368.db2.gz PEUBOJRKEMTSAN-UHFFFAOYSA-N 3 1 362.482 0.194 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccnc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC001163306735 1223229295 /nfs/dbraw/zinc/22/92/95/1223229295.db2.gz SQQVNMSESSILRF-QFBILLFUSA-N 2 1 359.474 0.792 20 0 FCADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165112355 1223242065 /nfs/dbraw/zinc/24/20/65/1223242065.db2.gz ZLPJHNBUQHQUPH-QGZVFWFLSA-N 2 1 360.506 0.966 20 0 FCADMP COC[C@H]1CN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)Cc2cn(C)nc21 ZINC001165610506 1223251279 /nfs/dbraw/zinc/25/12/79/1223251279.db2.gz ZKIOMNGRBYXYDU-CQSZACIVSA-N 2 1 357.462 0.888 20 0 FCADMP Cc1nccnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728740 1223255688 /nfs/dbraw/zinc/25/56/88/1223255688.db2.gz SNHFXYVSODKYTI-RHSMWYFYSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1nccnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728740 1223255690 /nfs/dbraw/zinc/25/56/90/1223255690.db2.gz SNHFXYVSODKYTI-RHSMWYFYSA-N 2 1 361.490 0.880 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001205216451 1223317269 /nfs/dbraw/zinc/31/72/69/1223317269.db2.gz DANFKMFMGGNZMS-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001205216451 1223317270 /nfs/dbraw/zinc/31/72/70/1223317270.db2.gz DANFKMFMGGNZMS-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001205216451 1223317272 /nfs/dbraw/zinc/31/72/72/1223317272.db2.gz DANFKMFMGGNZMS-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001205216398 1223317338 /nfs/dbraw/zinc/31/73/38/1223317338.db2.gz BPCGMESIBNLSHP-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205216398 1223317339 /nfs/dbraw/zinc/31/73/39/1223317339.db2.gz BPCGMESIBNLSHP-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205216398 1223317342 /nfs/dbraw/zinc/31/73/42/1223317342.db2.gz BPCGMESIBNLSHP-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC3CC3)CC2)O1 ZINC001205516156 1223329648 /nfs/dbraw/zinc/32/96/48/1223329648.db2.gz QSDDYPQTQJKPEL-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC3CC3)CC2)O1 ZINC001205516156 1223329650 /nfs/dbraw/zinc/32/96/50/1223329650.db2.gz QSDDYPQTQJKPEL-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518907 1223330186 /nfs/dbraw/zinc/33/01/86/1223330186.db2.gz OZQREXYITSKBAE-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518907 1223330189 /nfs/dbraw/zinc/33/01/89/1223330189.db2.gz OZQREXYITSKBAE-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206619410 1223362943 /nfs/dbraw/zinc/36/29/43/1223362943.db2.gz AKHAMSVJHFIBOY-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001206619410 1223362947 /nfs/dbraw/zinc/36/29/47/1223362947.db2.gz AKHAMSVJHFIBOY-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206992739 1223402303 /nfs/dbraw/zinc/40/23/03/1223402303.db2.gz FISLUCLFVQFBTG-MUIFIZLQSA-N 2 1 362.474 0.673 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cc[nH]c(=O)c2)CC3)CC1 ZINC001207122594 1223419038 /nfs/dbraw/zinc/41/90/38/1223419038.db2.gz OWDQLQODKINLDB-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cc[nH]c(=O)c2)CC3)CC1 ZINC001207122594 1223419040 /nfs/dbraw/zinc/41/90/40/1223419040.db2.gz OWDQLQODKINLDB-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP CCn1ccnc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001207140694 1223419986 /nfs/dbraw/zinc/41/99/86/1223419986.db2.gz BEXKEPGXMXICFW-UHFFFAOYSA-N 2 1 363.506 0.906 20 0 FCADMP Cc1nccc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001207164957 1223423190 /nfs/dbraw/zinc/42/31/90/1223423190.db2.gz SOVSIHFIMDEJGZ-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP Cc1nccc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001207164957 1223423194 /nfs/dbraw/zinc/42/31/94/1223423194.db2.gz SOVSIHFIMDEJGZ-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207481627 1223449312 /nfs/dbraw/zinc/44/93/12/1223449312.db2.gz BCACEEMIWRXFSC-GBESFXJTSA-N 2 1 365.518 0.914 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617032 1223461407 /nfs/dbraw/zinc/46/14/07/1223461407.db2.gz MNXIFJKHXJVGLX-BPQIPLTHSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207617032 1223461411 /nfs/dbraw/zinc/46/14/11/1223461411.db2.gz MNXIFJKHXJVGLX-BPQIPLTHSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207617032 1223461415 /nfs/dbraw/zinc/46/14/15/1223461415.db2.gz MNXIFJKHXJVGLX-BPQIPLTHSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C)[NH+](C)C ZINC001207698197 1223472030 /nfs/dbraw/zinc/47/20/30/1223472030.db2.gz VKMHXBQQWKHSHH-RBSFLKMASA-N 2 1 365.526 0.747 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C)[NH+](C)C ZINC001207698197 1223472031 /nfs/dbraw/zinc/47/20/31/1223472031.db2.gz VKMHXBQQWKHSHH-RBSFLKMASA-N 2 1 365.526 0.747 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766703 1223477911 /nfs/dbraw/zinc/47/79/11/1223477911.db2.gz DZGGTFXRDDMHPV-DJIMGWMZSA-N 2 1 359.474 0.623 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001208074168 1223513954 /nfs/dbraw/zinc/51/39/54/1223513954.db2.gz UAECNSBTFILKJU-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001208074167 1223514150 /nfs/dbraw/zinc/51/41/50/1223514150.db2.gz UAECNSBTFILKJU-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412767 1223542045 /nfs/dbraw/zinc/54/20/45/1223542045.db2.gz LKPFFIQGOQCTLR-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412767 1223542046 /nfs/dbraw/zinc/54/20/46/1223542046.db2.gz LKPFFIQGOQCTLR-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412767 1223542048 /nfs/dbraw/zinc/54/20/48/1223542048.db2.gz LKPFFIQGOQCTLR-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412767 1223542050 /nfs/dbraw/zinc/54/20/50/1223542050.db2.gz LKPFFIQGOQCTLR-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448112 1223546273 /nfs/dbraw/zinc/54/62/73/1223546273.db2.gz VTPUNRHWYBUPIP-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208591019 1223561047 /nfs/dbraw/zinc/56/10/47/1223561047.db2.gz NKYDNLAHCMDLKW-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208591019 1223561050 /nfs/dbraw/zinc/56/10/50/1223561050.db2.gz NKYDNLAHCMDLKW-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208591019 1223561053 /nfs/dbraw/zinc/56/10/53/1223561053.db2.gz NKYDNLAHCMDLKW-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208591019 1223561057 /nfs/dbraw/zinc/56/10/57/1223561057.db2.gz NKYDNLAHCMDLKW-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208604851 1223562917 /nfs/dbraw/zinc/56/29/17/1223562917.db2.gz LBTFDHBKZWCSEZ-JKIFEVAISA-N 2 1 366.462 0.328 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208604851 1223562924 /nfs/dbraw/zinc/56/29/24/1223562924.db2.gz LBTFDHBKZWCSEZ-JKIFEVAISA-N 2 1 366.462 0.328 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208708484 1223571828 /nfs/dbraw/zinc/57/18/28/1223571828.db2.gz XOAXFCOJGXDZTG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208708484 1223571831 /nfs/dbraw/zinc/57/18/31/1223571831.db2.gz XOAXFCOJGXDZTG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001208722806 1223573117 /nfs/dbraw/zinc/57/31/17/1223573117.db2.gz YTJMZVOSBVJTEA-DTZQCDIJSA-N 2 1 359.474 0.486 20 0 FCADMP C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001208722806 1223573125 /nfs/dbraw/zinc/57/31/25/1223573125.db2.gz YTJMZVOSBVJTEA-DTZQCDIJSA-N 2 1 359.474 0.486 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738933 1223574440 /nfs/dbraw/zinc/57/44/40/1223574440.db2.gz LXUGXPAFNHFNKZ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738933 1223574445 /nfs/dbraw/zinc/57/44/45/1223574445.db2.gz LXUGXPAFNHFNKZ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739458 1223574711 /nfs/dbraw/zinc/57/47/11/1223574711.db2.gz UWQDQQBNNHNRIQ-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739458 1223574713 /nfs/dbraw/zinc/57/47/13/1223574713.db2.gz UWQDQQBNNHNRIQ-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1n[nH]nc1C(=O)NC ZINC001208742560 1223574732 /nfs/dbraw/zinc/57/47/32/1223574732.db2.gz AGFYEDITFFIILW-LBPRGKRZSA-N 2 1 366.470 0.044 20 0 FCADMP CNC(=O)CN1CCO[C@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942468 1223586455 /nfs/dbraw/zinc/58/64/55/1223586455.db2.gz DOHRMGFKCOJRJJ-ZCNNSNEGSA-N 2 1 372.513 0.640 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150202 1223601350 /nfs/dbraw/zinc/60/13/50/1223601350.db2.gz OAPGVVZBMMEIEG-KBAYOESNSA-N 2 1 371.522 0.179 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4cccnc34)C2)OCC1=O ZINC001276628835 1223605484 /nfs/dbraw/zinc/60/54/84/1223605484.db2.gz CDYXVIDJXICMNR-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP COC(C)(C)CN1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276635746 1223612240 /nfs/dbraw/zinc/61/22/40/1223612240.db2.gz ATVQGNMXCZXKSV-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)CC1 ZINC001276637181 1223614821 /nfs/dbraw/zinc/61/48/21/1223614821.db2.gz XKINOAKJYLOKDI-HXUWFJFHSA-N 2 1 364.534 0.727 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506439 1223626409 /nfs/dbraw/zinc/62/64/09/1223626409.db2.gz KKYUOOUAFUDMCN-NVXWUHKLSA-N 2 1 362.474 0.044 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506439 1223626413 /nfs/dbraw/zinc/62/64/13/1223626413.db2.gz KKYUOOUAFUDMCN-NVXWUHKLSA-N 2 1 362.474 0.044 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)C(C)C ZINC001209584897 1223632690 /nfs/dbraw/zinc/63/26/90/1223632690.db2.gz CPFFNYJGUCSNIL-ZACQAIPSSA-N 2 1 367.538 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(-c2ccncc2)c1 ZINC001209784111 1223649912 /nfs/dbraw/zinc/64/99/12/1223649912.db2.gz MDGBTDGNPMFVTB-RHSMWYFYSA-N 2 1 359.430 0.326 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001209784111 1223649915 /nfs/dbraw/zinc/64/99/15/1223649915.db2.gz MDGBTDGNPMFVTB-RHSMWYFYSA-N 2 1 359.430 0.326 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829309 1223651666 /nfs/dbraw/zinc/65/16/66/1223651666.db2.gz BZWAICAIBMYMAP-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829309 1223651669 /nfs/dbraw/zinc/65/16/69/1223651669.db2.gz BZWAICAIBMYMAP-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829913 1223651941 /nfs/dbraw/zinc/65/19/41/1223651941.db2.gz NBTMVTGRPSWLLY-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001210213346 1223675478 /nfs/dbraw/zinc/67/54/78/1223675478.db2.gz ICZWTNDMPXOEEW-YVWKXTFCSA-N 2 1 363.502 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001210213346 1223675484 /nfs/dbraw/zinc/67/54/84/1223675484.db2.gz ICZWTNDMPXOEEW-YVWKXTFCSA-N 2 1 363.502 0.909 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314630 1223682388 /nfs/dbraw/zinc/68/23/88/1223682388.db2.gz BVFQFMDGIPCRNY-RHSMWYFYSA-N 2 1 362.474 0.300 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211024961 1223718806 /nfs/dbraw/zinc/71/88/06/1223718806.db2.gz DAJVOWSOHGOKOF-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211024961 1223718811 /nfs/dbraw/zinc/71/88/11/1223718811.db2.gz DAJVOWSOHGOKOF-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211024961 1223718815 /nfs/dbraw/zinc/71/88/15/1223718815.db2.gz DAJVOWSOHGOKOF-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211024961 1223718817 /nfs/dbraw/zinc/71/88/17/1223718817.db2.gz DAJVOWSOHGOKOF-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211031688 1223719626 /nfs/dbraw/zinc/71/96/26/1223719626.db2.gz KTVPBPLGMRUIHK-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211031688 1223719627 /nfs/dbraw/zinc/71/96/27/1223719627.db2.gz KTVPBPLGMRUIHK-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211031688 1223719632 /nfs/dbraw/zinc/71/96/32/1223719632.db2.gz KTVPBPLGMRUIHK-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211031688 1223719635 /nfs/dbraw/zinc/71/96/35/1223719635.db2.gz KTVPBPLGMRUIHK-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447655 1223742711 /nfs/dbraw/zinc/74/27/11/1223742711.db2.gz AMTDZNCBCZXDQI-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447655 1223742715 /nfs/dbraw/zinc/74/27/15/1223742715.db2.gz AMTDZNCBCZXDQI-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001213151482 1223757699 /nfs/dbraw/zinc/75/76/99/1223757699.db2.gz PEPLJTCXRUQXGR-IAGOWNOFSA-N 2 1 359.430 0.733 20 0 FCADMP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167826 1223762184 /nfs/dbraw/zinc/76/21/84/1223762184.db2.gz LQQHDEKXEFMPFG-GVDBMIGSSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167826 1223762186 /nfs/dbraw/zinc/76/21/86/1223762186.db2.gz LQQHDEKXEFMPFG-GVDBMIGSSA-N 2 1 366.462 0.203 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221535 1223771144 /nfs/dbraw/zinc/77/11/44/1223771144.db2.gz HGOPJFNVYFXAQG-OWCLPIDISA-N 2 1 366.506 0.345 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221535 1223771147 /nfs/dbraw/zinc/77/11/47/1223771147.db2.gz HGOPJFNVYFXAQG-OWCLPIDISA-N 2 1 366.506 0.345 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342074 1223788225 /nfs/dbraw/zinc/78/82/25/1223788225.db2.gz FVLLIPFOKGDBGI-IAGOWNOFSA-N 2 1 363.506 0.657 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)cn1 ZINC001213342467 1223788673 /nfs/dbraw/zinc/78/86/73/1223788673.db2.gz YVWRREFAHZWIQH-IAGOWNOFSA-N 2 1 363.506 0.603 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346612 1223788827 /nfs/dbraw/zinc/78/88/27/1223788827.db2.gz VIVSQDUOIFSCLR-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213376774 1223792295 /nfs/dbraw/zinc/79/22/95/1223792295.db2.gz HDMMLYLIQUVRAH-QZTJIDSGSA-N 2 1 365.474 0.841 20 0 FCADMP COc1cccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213378377 1223792337 /nfs/dbraw/zinc/79/23/37/1223792337.db2.gz OIGGDBZFADZGCQ-KZNAEPCWSA-N 2 1 365.474 0.496 20 0 FCADMP COc1cccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213378377 1223792341 /nfs/dbraw/zinc/79/23/41/1223792341.db2.gz OIGGDBZFADZGCQ-KZNAEPCWSA-N 2 1 365.474 0.496 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213456008 1223801107 /nfs/dbraw/zinc/80/11/07/1223801107.db2.gz ZEZXBTLNGPPPLA-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213528819 1223809874 /nfs/dbraw/zinc/80/98/74/1223809874.db2.gz CYQUCJZQTDGMFT-ARFHVFGLSA-N 2 1 368.478 0.219 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213528819 1223809876 /nfs/dbraw/zinc/80/98/76/1223809876.db2.gz CYQUCJZQTDGMFT-ARFHVFGLSA-N 2 1 368.478 0.219 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CCC1 ZINC001213581483 1223817433 /nfs/dbraw/zinc/81/74/33/1223817433.db2.gz YXEOIAIYXGPWED-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CCC1 ZINC001213581483 1223817434 /nfs/dbraw/zinc/81/74/34/1223817434.db2.gz YXEOIAIYXGPWED-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759364 1223845320 /nfs/dbraw/zinc/84/53/20/1223845320.db2.gz HSGMNNJFLMOUQI-DJIMGWMZSA-N 2 1 368.522 0.591 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930004 1223875084 /nfs/dbraw/zinc/87/50/84/1223875084.db2.gz VNKKJBDLJCTJQO-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930004 1223875085 /nfs/dbraw/zinc/87/50/85/1223875085.db2.gz VNKKJBDLJCTJQO-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930004 1223875086 /nfs/dbraw/zinc/87/50/86/1223875086.db2.gz VNKKJBDLJCTJQO-RCCFBDPRSA-N 2 1 371.522 0.728 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214338383 1223902241 /nfs/dbraw/zinc/90/22/41/1223902241.db2.gz PPELEIFXAFPWJE-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214388652 1223906975 /nfs/dbraw/zinc/90/69/75/1223906975.db2.gz GDLRVXBDPJPQFP-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214388652 1223906977 /nfs/dbraw/zinc/90/69/77/1223906977.db2.gz GDLRVXBDPJPQFP-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754733 1223938516 /nfs/dbraw/zinc/93/85/16/1223938516.db2.gz FMCSATRFMRWIQN-QLFBSQMISA-N 2 1 369.489 0.700 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889131 1223952280 /nfs/dbraw/zinc/95/22/80/1223952280.db2.gz IDNZCLYKRAVBQI-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001215000053 1223962507 /nfs/dbraw/zinc/96/25/07/1223962507.db2.gz WACRXCPOGIIGFC-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215413520 1223998123 /nfs/dbraw/zinc/99/81/23/1223998123.db2.gz HMYOJZLXOMFLJI-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001215416596 1223998591 /nfs/dbraw/zinc/99/85/91/1223998591.db2.gz VGQSUHDKXNRHPY-CHWSQXEVSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215938832 1224025570 /nfs/dbraw/zinc/02/55/70/1224025570.db2.gz OMDLTLHEGURBMX-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC(C)(C)C ZINC001215938805 1224025939 /nfs/dbraw/zinc/02/59/39/1224025939.db2.gz NMSRTPFMEKBZMT-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(=O)N(C)C ZINC001216081373 1224033492 /nfs/dbraw/zinc/03/34/92/1224033492.db2.gz AIQLPYUOLMEEDO-CKEIUWERSA-N 2 1 370.457 0.794 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001216490916 1224053254 /nfs/dbraw/zinc/05/32/54/1224053254.db2.gz VXHYQEYACZZQTP-HUUCEWRRSA-N 2 1 362.478 0.584 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216506611 1224053622 /nfs/dbraw/zinc/05/36/22/1224053622.db2.gz KKRYSZKUIQBQSQ-HUUCEWRRSA-N 2 1 367.494 0.097 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216753991 1224068461 /nfs/dbraw/zinc/06/84/61/1224068461.db2.gz CQWMKMHRPGWGGJ-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216752080 1224068632 /nfs/dbraw/zinc/06/86/32/1224068632.db2.gz GIVCKBMMKCIOJP-CKEIUWERSA-N 2 1 360.458 0.719 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccc(O)cc2)C1 ZINC001216757985 1224069508 /nfs/dbraw/zinc/06/95/08/1224069508.db2.gz UQJVDABLXJCCNM-CXAGYDPISA-N 2 1 371.441 0.972 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216851803 1224079026 /nfs/dbraw/zinc/07/90/26/1224079026.db2.gz ISGKFFJSAKUIAP-SOLBZPMBSA-N 2 1 371.522 0.320 20 0 FCADMP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000985435142 1248919461 /nfs/dbraw/zinc/91/94/61/1248919461.db2.gz ITSIYSDZCIAGJY-AEFFLSMTSA-N 2 1 366.506 0.141 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986134620 1248982572 /nfs/dbraw/zinc/98/25/72/1248982572.db2.gz QCDAUXXEIKNYFD-PMPSAXMXSA-N 2 1 359.474 0.519 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993436184 1249535816 /nfs/dbraw/zinc/53/58/16/1249535816.db2.gz GLFIATVKIAOHCQ-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000823788699 1245321854 /nfs/dbraw/zinc/32/18/54/1245321854.db2.gz SQLBCCQTDUMLKP-IRXDYDNUSA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000823788699 1245321858 /nfs/dbraw/zinc/32/18/58/1245321858.db2.gz SQLBCCQTDUMLKP-IRXDYDNUSA-N 2 1 363.506 0.515 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN4C(=O)OC[C@H]4C3)CC2)CC1 ZINC000847584270 1245345904 /nfs/dbraw/zinc/34/59/04/1245345904.db2.gz QJVAAMFLSVLYKC-QGZVFWFLSA-N 2 1 364.490 0.846 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000848932785 1245387376 /nfs/dbraw/zinc/38/73/76/1245387376.db2.gz VBXYZJAABLJVBN-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000848932786 1245387834 /nfs/dbraw/zinc/38/78/34/1245387834.db2.gz VBXYZJAABLJVBN-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849116983 1245392642 /nfs/dbraw/zinc/39/26/42/1245392642.db2.gz XQQNNKKMAPFPQM-KRWDZBQOSA-N 3 1 366.554 0.381 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCN1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000891465227 1245451108 /nfs/dbraw/zinc/45/11/08/1245451108.db2.gz RDTMERTUUOYKRM-FXAWDEMLSA-N 2 1 372.517 0.845 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538722 1245453227 /nfs/dbraw/zinc/45/32/27/1245453227.db2.gz SGIMWHCLOKBRFE-JJXSEGSLSA-N 2 1 365.478 0.437 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556045 1245513321 /nfs/dbraw/zinc/51/33/21/1245513321.db2.gz INSRHHINUPEWGR-JKSUJKDBSA-N 2 1 366.506 0.347 20 0 FCADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282237 1245705338 /nfs/dbraw/zinc/70/53/38/1245705338.db2.gz UGRNZYXWFJBWOS-HOTGVXAUSA-N 2 1 365.474 0.612 20 0 FCADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280665 1245705960 /nfs/dbraw/zinc/70/59/60/1245705960.db2.gz CEDTVCWKJCSNCP-ROUUACIJSA-N 2 1 361.486 0.879 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923321513 1245708816 /nfs/dbraw/zinc/70/88/16/1245708816.db2.gz GPZAMPSBWJEWKM-ROUUACIJSA-N 2 1 366.506 0.792 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000923328066 1245709099 /nfs/dbraw/zinc/70/90/99/1245709099.db2.gz JNMAZPHEIUVDRE-FJIDUMEYSA-N 2 1 369.506 0.123 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940294796 1246266231 /nfs/dbraw/zinc/26/62/31/1246266231.db2.gz CIAYRLUIFWAHFG-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000941274083 1246536163 /nfs/dbraw/zinc/53/61/63/1246536163.db2.gz WBRZXCATSVKLJY-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000941274083 1246536170 /nfs/dbraw/zinc/53/61/70/1246536170.db2.gz WBRZXCATSVKLJY-BZUAXINKSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@@H]4CCCCO4)C3)CC2)CC[N@@H+]1C ZINC000941412497 1246607561 /nfs/dbraw/zinc/60/75/61/1246607561.db2.gz HVKHSFXAXIBGFT-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@@H]4CCCCO4)C3)CC2)CC[N@H+]1C ZINC000941412497 1246607566 /nfs/dbraw/zinc/60/75/66/1246607566.db2.gz HVKHSFXAXIBGFT-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942120698 1246987423 /nfs/dbraw/zinc/98/74/23/1246987423.db2.gz OSVOICVMWBYYEF-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000942437696 1247067775 /nfs/dbraw/zinc/06/77/75/1247067775.db2.gz WAUHWZBTJSFEIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC000942437696 1247067786 /nfs/dbraw/zinc/06/77/86/1247067786.db2.gz WAUHWZBTJSFEIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000942437696 1247067791 /nfs/dbraw/zinc/06/77/91/1247067791.db2.gz WAUHWZBTJSFEIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC000942437696 1247067800 /nfs/dbraw/zinc/06/78/00/1247067800.db2.gz WAUHWZBTJSFEIO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000994245614 1250314840 /nfs/dbraw/zinc/31/48/40/1250314840.db2.gz PTJGFFSCTMZCFY-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000994245614 1250314851 /nfs/dbraw/zinc/31/48/51/1250314851.db2.gz PTJGFFSCTMZCFY-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943797606 1247416964 /nfs/dbraw/zinc/41/69/64/1247416964.db2.gz VXDUZKUKIZBJEU-DJIMGWMZSA-N 2 1 371.441 0.242 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)CC[N@H+]1C ZINC000944615171 1247577836 /nfs/dbraw/zinc/57/78/36/1247577836.db2.gz GHRJTBUBCZFJKO-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327839682 1265440674 /nfs/dbraw/zinc/44/06/74/1265440674.db2.gz KDBALZWVFJHKTQ-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC000974875166 1248158345 /nfs/dbraw/zinc/15/83/45/1248158345.db2.gz SSHGIZSFZUTGJO-QXDIGNSFSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC000974875166 1248158353 /nfs/dbraw/zinc/15/83/53/1248158353.db2.gz SSHGIZSFZUTGJO-QXDIGNSFSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC000974875166 1248158356 /nfs/dbraw/zinc/15/83/56/1248158356.db2.gz SSHGIZSFZUTGJO-QXDIGNSFSA-N 2 1 362.518 0.870 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976595509 1248269409 /nfs/dbraw/zinc/26/94/09/1248269409.db2.gz LXMZUOYOGDWGOZ-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976595509 1248269418 /nfs/dbraw/zinc/26/94/18/1248269418.db2.gz LXMZUOYOGDWGOZ-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976595509 1248269422 /nfs/dbraw/zinc/26/94/22/1248269422.db2.gz LXMZUOYOGDWGOZ-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000976921647 1248469820 /nfs/dbraw/zinc/46/98/20/1248469820.db2.gz MXTJVYXDMRUAGB-BRWVUGGUSA-N 2 1 361.490 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C ZINC000977048841 1248529628 /nfs/dbraw/zinc/52/96/28/1248529628.db2.gz BRVJSGPOUVRLHM-RXYDEIHYSA-N 2 1 362.518 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000994847058 1250711883 /nfs/dbraw/zinc/71/18/83/1250711883.db2.gz JTTGSPTYUWRXTN-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC2CC[NH2+]CC2)CC1=O ZINC001515498351 1265517460 /nfs/dbraw/zinc/51/74/60/1265517460.db2.gz YSEDNCXRHRTLHH-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP COCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996609975 1251403998 /nfs/dbraw/zinc/40/39/98/1251403998.db2.gz XIOUFGQMQNMJGC-UKRRQHHQSA-N 2 1 365.478 0.679 20 0 FCADMP COCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996609975 1251404004 /nfs/dbraw/zinc/40/40/04/1251404004.db2.gz XIOUFGQMQNMJGC-UKRRQHHQSA-N 2 1 365.478 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC000997787378 1251707132 /nfs/dbraw/zinc/70/71/32/1251707132.db2.gz YFQVPKZHECNDDH-UKRRQHHQSA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC000997787378 1251707139 /nfs/dbraw/zinc/70/71/39/1251707139.db2.gz YFQVPKZHECNDDH-UKRRQHHQSA-N 2 1 364.494 0.804 20 0 FCADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000997857760 1251727621 /nfs/dbraw/zinc/72/76/21/1251727621.db2.gz BGBHNPACYQYPPO-CRAIPNDOSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000997857760 1251727632 /nfs/dbraw/zinc/72/76/32/1251727632.db2.gz BGBHNPACYQYPPO-CRAIPNDOSA-N 2 1 363.506 0.950 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997888365 1251737691 /nfs/dbraw/zinc/73/76/91/1251737691.db2.gz WLBPMYCVXHLATH-IKGGRYGDSA-N 2 1 359.474 0.781 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC000998567127 1251914065 /nfs/dbraw/zinc/91/40/65/1251914065.db2.gz QLRHWEIAVXHHQW-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC000998797423 1251968666 /nfs/dbraw/zinc/96/86/66/1251968666.db2.gz UBEKNNKKVVNPBX-BLYZHGLHSA-N 2 1 370.448 0.962 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000998938811 1252004099 /nfs/dbraw/zinc/00/40/99/1252004099.db2.gz XSTFWGXZEUYPTJ-RHSMWYFYSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000998938811 1252004107 /nfs/dbraw/zinc/00/41/07/1252004107.db2.gz XSTFWGXZEUYPTJ-RHSMWYFYSA-N 2 1 366.506 0.153 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999497878 1252127343 /nfs/dbraw/zinc/12/73/43/1252127343.db2.gz RSWIDRVUIIDOCQ-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999497878 1252127345 /nfs/dbraw/zinc/12/73/45/1252127345.db2.gz RSWIDRVUIIDOCQ-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993685 1252266317 /nfs/dbraw/zinc/26/63/17/1252266317.db2.gz UIVIGFBJCRPTLP-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993685 1252266330 /nfs/dbraw/zinc/26/63/30/1252266330.db2.gz UIVIGFBJCRPTLP-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993685 1252266340 /nfs/dbraw/zinc/26/63/40/1252266340.db2.gz UIVIGFBJCRPTLP-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993685 1252266354 /nfs/dbraw/zinc/26/63/54/1252266354.db2.gz UIVIGFBJCRPTLP-DJIMGWMZSA-N 2 1 364.494 0.516 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC001002236229 1252483687 /nfs/dbraw/zinc/48/36/87/1252483687.db2.gz RWWSRORJYCQHTE-UKRRQHHQSA-N 2 1 359.474 0.676 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC001002258755 1252492558 /nfs/dbraw/zinc/49/25/58/1252492558.db2.gz REIHCGWHLUMMME-OKZBNKHCSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC001002258877 1252493471 /nfs/dbraw/zinc/49/34/71/1252493471.db2.gz UXLZEKZHTAGZPI-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC001002258877 1252493472 /nfs/dbraw/zinc/49/34/72/1252493472.db2.gz UXLZEKZHTAGZPI-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002258877 1252493474 /nfs/dbraw/zinc/49/34/74/1252493474.db2.gz UXLZEKZHTAGZPI-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002258877 1252493476 /nfs/dbraw/zinc/49/34/76/1252493476.db2.gz UXLZEKZHTAGZPI-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002461458 1252563741 /nfs/dbraw/zinc/56/37/41/1252563741.db2.gz PUWXJKDPRNDMCK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002461458 1252563754 /nfs/dbraw/zinc/56/37/54/1252563754.db2.gz PUWXJKDPRNDMCK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002461458 1252563763 /nfs/dbraw/zinc/56/37/63/1252563763.db2.gz PUWXJKDPRNDMCK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002461458 1252563772 /nfs/dbraw/zinc/56/37/72/1252563772.db2.gz PUWXJKDPRNDMCK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC001002859739 1252712531 /nfs/dbraw/zinc/71/25/31/1252712531.db2.gz SHRAWOICGBRRLL-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001002859739 1252712540 /nfs/dbraw/zinc/71/25/40/1252712540.db2.gz SHRAWOICGBRRLL-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002951018 1252748249 /nfs/dbraw/zinc/74/82/49/1252748249.db2.gz JGVMVSXMSAIKQZ-XDNAFOTISA-N 2 1 371.485 0.781 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001329052856 1265682530 /nfs/dbraw/zinc/68/25/30/1265682530.db2.gz DBTRRUXXAGWEMZ-UHFFFAOYSA-N 2 1 363.506 0.551 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001004209625 1253245388 /nfs/dbraw/zinc/24/53/88/1253245388.db2.gz FBUYRTXPGDMRCB-WCXIOVBPSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001004209625 1253245392 /nfs/dbraw/zinc/24/53/92/1253245392.db2.gz FBUYRTXPGDMRCB-WCXIOVBPSA-N 2 1 359.474 0.924 20 0 FCADMP CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469466 1253334953 /nfs/dbraw/zinc/33/49/53/1253334953.db2.gz OIMCWRWPNUNAGA-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469466 1253334961 /nfs/dbraw/zinc/33/49/61/1253334961.db2.gz OIMCWRWPNUNAGA-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004469466 1253334964 /nfs/dbraw/zinc/33/49/64/1253334964.db2.gz OIMCWRWPNUNAGA-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004469466 1253334976 /nfs/dbraw/zinc/33/49/76/1253334976.db2.gz OIMCWRWPNUNAGA-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001329283958 1265725889 /nfs/dbraw/zinc/72/58/89/1265725889.db2.gz NIQCTZZXSKOZBG-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001329283958 1265725894 /nfs/dbraw/zinc/72/58/94/1265725894.db2.gz NIQCTZZXSKOZBG-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001022174341 1253798834 /nfs/dbraw/zinc/79/88/34/1253798834.db2.gz DFSRZTKKVMNEKT-JZXOWHBKSA-N 2 1 361.490 0.837 20 0 FCADMP Cc1nccnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767808 1253874515 /nfs/dbraw/zinc/87/45/15/1253874515.db2.gz KOOYEFANCNQRKL-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1nccnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767808 1253874526 /nfs/dbraw/zinc/87/45/26/1253874526.db2.gz KOOYEFANCNQRKL-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1nccnc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767808 1253874537 /nfs/dbraw/zinc/87/45/37/1253874537.db2.gz KOOYEFANCNQRKL-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP Cc1nccnc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767808 1253874548 /nfs/dbraw/zinc/87/45/48/1253874548.db2.gz KOOYEFANCNQRKL-QGPMSJSTSA-N 2 1 361.490 0.784 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001034271270 1253984364 /nfs/dbraw/zinc/98/43/64/1253984364.db2.gz GMJMZZSKFDAVMW-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001034271270 1253984371 /nfs/dbraw/zinc/98/43/71/1253984371.db2.gz GMJMZZSKFDAVMW-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CCc3cnn(C)c3)C2)O1 ZINC001034271270 1253984378 /nfs/dbraw/zinc/98/43/78/1253984378.db2.gz GMJMZZSKFDAVMW-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCc3cnn(C)c3)C2)O1 ZINC001034271270 1253984383 /nfs/dbraw/zinc/98/43/83/1253984383.db2.gz GMJMZZSKFDAVMW-BPQIPLTHSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001034274654 1253985503 /nfs/dbraw/zinc/98/55/03/1253985503.db2.gz UKBWSBOWIWKNBY-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001034274654 1253985506 /nfs/dbraw/zinc/98/55/06/1253985506.db2.gz UKBWSBOWIWKNBY-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001034274654 1253985511 /nfs/dbraw/zinc/98/55/11/1253985511.db2.gz UKBWSBOWIWKNBY-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001034274654 1253985523 /nfs/dbraw/zinc/98/55/23/1253985523.db2.gz UKBWSBOWIWKNBY-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001034649688 1253997744 /nfs/dbraw/zinc/99/77/44/1253997744.db2.gz PHUIAPUQIYWBNN-RFBLXINOSA-N 2 1 364.490 0.539 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001034676037 1254000750 /nfs/dbraw/zinc/00/07/50/1254000750.db2.gz VINVXNMJTHNTOQ-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001034676037 1254000755 /nfs/dbraw/zinc/00/07/55/1254000755.db2.gz VINVXNMJTHNTOQ-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517148 1254050244 /nfs/dbraw/zinc/05/02/44/1254050244.db2.gz PJWBXCUQWZWDJH-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517148 1254050253 /nfs/dbraw/zinc/05/02/53/1254050253.db2.gz PJWBXCUQWZWDJH-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517148 1254050263 /nfs/dbraw/zinc/05/02/63/1254050263.db2.gz PJWBXCUQWZWDJH-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517148 1254050273 /nfs/dbraw/zinc/05/02/73/1254050273.db2.gz PJWBXCUQWZWDJH-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517147 1254050451 /nfs/dbraw/zinc/05/04/51/1254050451.db2.gz PJWBXCUQWZWDJH-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517147 1254050460 /nfs/dbraw/zinc/05/04/60/1254050460.db2.gz PJWBXCUQWZWDJH-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517147 1254050473 /nfs/dbraw/zinc/05/04/73/1254050473.db2.gz PJWBXCUQWZWDJH-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001035517147 1254050491 /nfs/dbraw/zinc/05/04/91/1254050491.db2.gz PJWBXCUQWZWDJH-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP CCN1CC[C@H]([NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC3)C1=O ZINC001035708462 1254056909 /nfs/dbraw/zinc/05/69/09/1254056909.db2.gz HXTVVDHASRBRLR-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@H]([NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC3)C1=O ZINC001035708462 1254056912 /nfs/dbraw/zinc/05/69/12/1254056912.db2.gz HXTVVDHASRBRLR-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+](CC)CC)CC[N@H+]1C ZINC001061605261 1254189079 /nfs/dbraw/zinc/18/90/79/1254189079.db2.gz RGFYSUXUAPCUEQ-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061620781 1254193272 /nfs/dbraw/zinc/19/32/72/1254193272.db2.gz GZGQPXLVQYFFFH-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061620781 1254193276 /nfs/dbraw/zinc/19/32/76/1254193276.db2.gz GZGQPXLVQYFFFH-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061620781 1254193282 /nfs/dbraw/zinc/19/32/82/1254193282.db2.gz GZGQPXLVQYFFFH-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062227468 1254248467 /nfs/dbraw/zinc/24/84/67/1254248467.db2.gz CVWFPOIMJMTQMA-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062227468 1254248479 /nfs/dbraw/zinc/24/84/79/1254248479.db2.gz CVWFPOIMJMTQMA-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)CC[N@@H+]1C ZINC001065628118 1254559570 /nfs/dbraw/zinc/55/95/70/1254559570.db2.gz YTYOLDCUDSMXQJ-YVSFHVDLSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)CC[N@H+]1C ZINC001065628118 1254559577 /nfs/dbraw/zinc/55/95/77/1254559577.db2.gz YTYOLDCUDSMXQJ-YVSFHVDLSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001066218208 1254607397 /nfs/dbraw/zinc/60/73/97/1254607397.db2.gz BKPLHSQRDANUOX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1)[NH+](C)C ZINC001520267710 1265893627 /nfs/dbraw/zinc/89/36/27/1265893627.db2.gz WIPGGBQKVMYQHZ-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077571937 1254710651 /nfs/dbraw/zinc/71/06/51/1254710651.db2.gz YZXMFHHCSLTNFP-UKNAQKAOSA-N 2 1 361.486 0.612 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077571937 1254710668 /nfs/dbraw/zinc/71/06/68/1254710668.db2.gz YZXMFHHCSLTNFP-UKNAQKAOSA-N 2 1 361.486 0.612 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077571937 1254710678 /nfs/dbraw/zinc/71/06/78/1254710678.db2.gz YZXMFHHCSLTNFP-UKNAQKAOSA-N 2 1 361.486 0.612 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CCC1 ZINC001077582642 1254733513 /nfs/dbraw/zinc/73/35/13/1254733513.db2.gz NNNXXQBOXVJSNM-ZACQAIPSSA-N 2 1 365.474 0.931 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612533 1254776109 /nfs/dbraw/zinc/77/61/09/1254776109.db2.gz KRURUASALQNWDN-IEBWSBKVSA-N 2 1 360.502 0.756 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1 ZINC001077679370 1254864316 /nfs/dbraw/zinc/86/43/16/1254864316.db2.gz PUJHHCFHMXGKTL-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1 ZINC001077679370 1254864329 /nfs/dbraw/zinc/86/43/29/1254864329.db2.gz PUJHHCFHMXGKTL-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC001077679370 1254864345 /nfs/dbraw/zinc/86/43/45/1254864345.db2.gz PUJHHCFHMXGKTL-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001077679370 1254864359 /nfs/dbraw/zinc/86/43/59/1254864359.db2.gz PUJHHCFHMXGKTL-KFKAGJAMSA-N 2 1 361.486 0.836 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679527 1254868199 /nfs/dbraw/zinc/86/81/99/1254868199.db2.gz ULQQLQIWCQHMSK-ATZDWAIDSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679527 1254868209 /nfs/dbraw/zinc/86/82/09/1254868209.db2.gz ULQQLQIWCQHMSK-ATZDWAIDSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679527 1254868223 /nfs/dbraw/zinc/86/82/23/1254868223.db2.gz ULQQLQIWCQHMSK-ATZDWAIDSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679527 1254868234 /nfs/dbraw/zinc/86/82/34/1254868234.db2.gz ULQQLQIWCQHMSK-ATZDWAIDSA-N 2 1 360.502 0.756 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077778588 1254981269 /nfs/dbraw/zinc/98/12/69/1254981269.db2.gz RQHFQBXRAFDDBU-CEXWTWQISA-N 2 1 367.534 0.821 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906906 1255088508 /nfs/dbraw/zinc/08/85/08/1255088508.db2.gz QDPHMZLVQJTJHU-BMGDILEWSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906906 1255088515 /nfs/dbraw/zinc/08/85/15/1255088515.db2.gz QDPHMZLVQJTJHU-BMGDILEWSA-N 2 1 371.441 0.469 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005790 1255162498 /nfs/dbraw/zinc/16/24/98/1255162498.db2.gz INULSOUOJGFJMB-ATZDWAIDSA-N 2 1 359.470 0.720 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005790 1255162503 /nfs/dbraw/zinc/16/25/03/1255162503.db2.gz INULSOUOJGFJMB-ATZDWAIDSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005790 1255162506 /nfs/dbraw/zinc/16/25/06/1255162506.db2.gz INULSOUOJGFJMB-ATZDWAIDSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005790 1255162508 /nfs/dbraw/zinc/16/25/08/1255162508.db2.gz INULSOUOJGFJMB-ATZDWAIDSA-N 2 1 359.470 0.720 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176054 1255290644 /nfs/dbraw/zinc/29/06/44/1255290644.db2.gz YTMQKYQKOFJKMC-KZNAEPCWSA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176054 1255290654 /nfs/dbraw/zinc/29/06/54/1255290654.db2.gz YTMQKYQKOFJKMC-KZNAEPCWSA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176054 1255290662 /nfs/dbraw/zinc/29/06/62/1255290662.db2.gz YTMQKYQKOFJKMC-KZNAEPCWSA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222984 1255336102 /nfs/dbraw/zinc/33/61/02/1255336102.db2.gz ZUASXZCSNDZDPI-BHIYHBOVSA-N 2 1 361.486 0.950 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079149683 1255460850 /nfs/dbraw/zinc/46/08/50/1255460850.db2.gz FUQDCPHHEGDMQB-GVDBMIGSSA-N 2 1 362.449 0.679 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079162380 1255462620 /nfs/dbraw/zinc/46/26/20/1255462620.db2.gz JAZVFHKZDUYFHY-BHYGNILZSA-N 2 1 362.449 0.537 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079198570 1255470798 /nfs/dbraw/zinc/47/07/98/1255470798.db2.gz HFIWONSEEZXWAH-XOKHGSTOSA-N 2 1 362.449 0.537 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245594 1255485745 /nfs/dbraw/zinc/48/57/45/1255485745.db2.gz BDNODXNIZWUUNC-RYQLBKOJSA-N 2 1 365.518 0.791 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079250112 1255487938 /nfs/dbraw/zinc/48/79/38/1255487938.db2.gz MSAOZXLAPUQYAH-IXDOHACOSA-N 2 1 362.474 0.512 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951219 1255678150 /nfs/dbraw/zinc/67/81/50/1255678150.db2.gz ANKDLZSZEPRGRQ-XHSVMWQWSA-N 2 1 373.457 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951219 1255678156 /nfs/dbraw/zinc/67/81/56/1255678156.db2.gz ANKDLZSZEPRGRQ-XHSVMWQWSA-N 2 1 373.457 0.878 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951219 1255678163 /nfs/dbraw/zinc/67/81/63/1255678163.db2.gz ANKDLZSZEPRGRQ-XHSVMWQWSA-N 2 1 373.457 0.878 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951219 1255678168 /nfs/dbraw/zinc/67/81/68/1255678168.db2.gz ANKDLZSZEPRGRQ-XHSVMWQWSA-N 2 1 373.457 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037436 1255719801 /nfs/dbraw/zinc/71/98/01/1255719801.db2.gz KXUQSOFWFVGUQX-OWCLPIDISA-N 2 1 358.490 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080136339 1255755411 /nfs/dbraw/zinc/75/54/11/1255755411.db2.gz NDGDGWUKRFFHFR-ZTFGCOKTSA-N 2 1 368.441 0.642 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161250 1255765223 /nfs/dbraw/zinc/76/52/23/1255765223.db2.gz TVJHRKXSKLCHRD-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161250 1255765231 /nfs/dbraw/zinc/76/52/31/1255765231.db2.gz TVJHRKXSKLCHRD-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161250 1255765235 /nfs/dbraw/zinc/76/52/35/1255765235.db2.gz TVJHRKXSKLCHRD-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161250 1255765241 /nfs/dbraw/zinc/76/52/41/1255765241.db2.gz TVJHRKXSKLCHRD-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164681 1255768565 /nfs/dbraw/zinc/76/85/65/1255768565.db2.gz NCQUHPVLHBNVPO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164681 1255768575 /nfs/dbraw/zinc/76/85/75/1255768575.db2.gz NCQUHPVLHBNVPO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164681 1255768581 /nfs/dbraw/zinc/76/85/81/1255768581.db2.gz NCQUHPVLHBNVPO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164681 1255768586 /nfs/dbraw/zinc/76/85/86/1255768586.db2.gz NCQUHPVLHBNVPO-UYJRAODCSA-N 2 1 359.474 0.220 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080455967 1255897528 /nfs/dbraw/zinc/89/75/28/1255897528.db2.gz GGWWVHBPYSTCTP-RVKKMQEKSA-N 2 1 360.502 0.975 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080455967 1255897538 /nfs/dbraw/zinc/89/75/38/1255897538.db2.gz GGWWVHBPYSTCTP-RVKKMQEKSA-N 2 1 360.502 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593280 1255945826 /nfs/dbraw/zinc/94/58/26/1255945826.db2.gz SGYGGESGSDRFFN-CRAIPNDOSA-N 2 1 363.506 0.921 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593114 1255946748 /nfs/dbraw/zinc/94/67/48/1255946748.db2.gz JMKYLROXUVIBED-CZUORRHYSA-N 2 1 360.462 0.991 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593114 1255946753 /nfs/dbraw/zinc/94/67/53/1255946753.db2.gz JMKYLROXUVIBED-CZUORRHYSA-N 2 1 360.462 0.991 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976852 1256120858 /nfs/dbraw/zinc/12/08/58/1256120858.db2.gz LTFILDLHUXPXOA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976852 1256120860 /nfs/dbraw/zinc/12/08/60/1256120860.db2.gz LTFILDLHUXPXOA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976852 1256120866 /nfs/dbraw/zinc/12/08/66/1256120866.db2.gz LTFILDLHUXPXOA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001080976852 1256120869 /nfs/dbraw/zinc/12/08/69/1256120869.db2.gz LTFILDLHUXPXOA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001081167996 1256196816 /nfs/dbraw/zinc/19/68/16/1256196816.db2.gz BTBQVHMVJCZKOQ-LEUOFYLZSA-N 2 1 358.486 0.786 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081682176 1256332719 /nfs/dbraw/zinc/33/27/19/1256332719.db2.gz IMUKOACUZRZBFW-TVFCKZIOSA-N 2 1 369.506 0.195 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081682437 1256332933 /nfs/dbraw/zinc/33/29/33/1256332933.db2.gz LEDXFRTWLLTSLP-MKXGPGLRSA-N 2 1 365.518 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799179 1256375579 /nfs/dbraw/zinc/37/55/79/1256375579.db2.gz GDPLIMSNYBOTCY-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799179 1256375586 /nfs/dbraw/zinc/37/55/86/1256375586.db2.gz GDPLIMSNYBOTCY-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799179 1256375593 /nfs/dbraw/zinc/37/55/93/1256375593.db2.gz GDPLIMSNYBOTCY-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799179 1256375601 /nfs/dbraw/zinc/37/56/01/1256375601.db2.gz GDPLIMSNYBOTCY-BRWVUGGUSA-N 2 1 364.494 0.356 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095635 1256533124 /nfs/dbraw/zinc/53/31/24/1256533124.db2.gz AIUATBZTNARYMT-GUDVDZBRSA-N 2 1 361.486 0.877 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133816 1256549718 /nfs/dbraw/zinc/54/97/18/1256549718.db2.gz RBNMJSZPCXVEOV-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133816 1256549728 /nfs/dbraw/zinc/54/97/28/1256549728.db2.gz RBNMJSZPCXVEOV-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133816 1256549732 /nfs/dbraw/zinc/54/97/32/1256549732.db2.gz RBNMJSZPCXVEOV-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133785 1256549907 /nfs/dbraw/zinc/54/99/07/1256549907.db2.gz PXDGJTFQSNKXKH-NUEKZKHPSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133785 1256549913 /nfs/dbraw/zinc/54/99/13/1256549913.db2.gz PXDGJTFQSNKXKH-NUEKZKHPSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133785 1256549919 /nfs/dbraw/zinc/54/99/19/1256549919.db2.gz PXDGJTFQSNKXKH-NUEKZKHPSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133785 1256549923 /nfs/dbraw/zinc/54/99/23/1256549923.db2.gz PXDGJTFQSNKXKH-NUEKZKHPSA-N 2 1 365.478 0.610 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135191 1256551448 /nfs/dbraw/zinc/55/14/48/1256551448.db2.gz SPIZQELLOCLXHU-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135191 1256551452 /nfs/dbraw/zinc/55/14/52/1256551452.db2.gz SPIZQELLOCLXHU-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135191 1256551457 /nfs/dbraw/zinc/55/14/57/1256551457.db2.gz SPIZQELLOCLXHU-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135191 1256551465 /nfs/dbraw/zinc/55/14/65/1256551465.db2.gz SPIZQELLOCLXHU-FVQBIDKESA-N 2 1 365.478 0.468 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001082199059 1256586597 /nfs/dbraw/zinc/58/65/97/1256586597.db2.gz YTPMLPBUMHFBTQ-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001082199059 1256586603 /nfs/dbraw/zinc/58/66/03/1256586603.db2.gz YTPMLPBUMHFBTQ-KZNAEPCWSA-N 2 1 363.506 0.963 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1)OC ZINC001082223371 1256596861 /nfs/dbraw/zinc/59/68/61/1256596861.db2.gz SDGBWLZWBFMCBX-GVDBMIGSSA-N 2 1 367.494 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368573 1256716435 /nfs/dbraw/zinc/71/64/35/1256716435.db2.gz HHHLVAJYCCLZRN-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368573 1256716441 /nfs/dbraw/zinc/71/64/41/1256716441.db2.gz HHHLVAJYCCLZRN-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368573 1256716444 /nfs/dbraw/zinc/71/64/44/1256716444.db2.gz HHHLVAJYCCLZRN-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368573 1256716447 /nfs/dbraw/zinc/71/64/47/1256716447.db2.gz HHHLVAJYCCLZRN-GVDBMIGSSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370147 1256719609 /nfs/dbraw/zinc/71/96/09/1256719609.db2.gz UNIWKYKPMIKOSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370147 1256719613 /nfs/dbraw/zinc/71/96/13/1256719613.db2.gz UNIWKYKPMIKOSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082370147 1256719621 /nfs/dbraw/zinc/71/96/21/1256719621.db2.gz UNIWKYKPMIKOSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082370147 1256719627 /nfs/dbraw/zinc/71/96/27/1256719627.db2.gz UNIWKYKPMIKOSE-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082515589 1256800295 /nfs/dbraw/zinc/80/02/95/1256800295.db2.gz RMCHRAAZCFNKAS-UHOFOFEASA-N 2 1 359.478 0.286 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515399 1256800450 /nfs/dbraw/zinc/80/04/50/1256800450.db2.gz MMNWECTXJRHSBB-FVQBIDKESA-N 2 1 361.494 0.532 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCn1cccn1 ZINC001082557965 1256853743 /nfs/dbraw/zinc/85/37/43/1256853743.db2.gz QXVHTFVPJGJMDX-ZACQAIPSSA-N 2 1 359.478 0.147 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082558336 1256856700 /nfs/dbraw/zinc/85/67/00/1256856700.db2.gz KZRHEHHBNSLDDA-RBSFLKMASA-N 2 1 364.494 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082560073 1256858892 /nfs/dbraw/zinc/85/88/92/1256858892.db2.gz YSWFGVBBTUTABL-KFNAQCHYSA-N 2 1 370.448 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082570617 1256878605 /nfs/dbraw/zinc/87/86/05/1256878605.db2.gz SQDNQESKBKIRRI-IJEWVQPXSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082570617 1256878617 /nfs/dbraw/zinc/87/86/17/1256878617.db2.gz SQDNQESKBKIRRI-IJEWVQPXSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001082590417 1256903552 /nfs/dbraw/zinc/90/35/52/1256903552.db2.gz VVBUZEMVJWZDJG-OHDICMOHSA-N 2 1 361.486 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001082590417 1256903556 /nfs/dbraw/zinc/90/35/56/1256903556.db2.gz VVBUZEMVJWZDJG-OHDICMOHSA-N 2 1 361.486 0.835 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001082590456 1256903622 /nfs/dbraw/zinc/90/36/22/1256903622.db2.gz XJJWARYRGGRZRU-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cn1 ZINC001082590456 1256903629 /nfs/dbraw/zinc/90/36/29/1256903629.db2.gz XJJWARYRGGRZRU-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653645 1256957136 /nfs/dbraw/zinc/95/71/36/1256957136.db2.gz WBVNBPJTTZEYLY-JLTYKUFRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653645 1256957142 /nfs/dbraw/zinc/95/71/42/1256957142.db2.gz WBVNBPJTTZEYLY-JLTYKUFRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653467 1256957825 /nfs/dbraw/zinc/95/78/25/1256957825.db2.gz LZUCBKYKYQFAGK-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082653372 1256958118 /nfs/dbraw/zinc/95/81/18/1256958118.db2.gz HWKNJUIURWOZBW-LGFHUAIBSA-N 2 1 356.470 0.881 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082699580 1256991497 /nfs/dbraw/zinc/99/14/97/1256991497.db2.gz IBPFSIHNDDIRDP-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082741777 1257021746 /nfs/dbraw/zinc/02/17/46/1257021746.db2.gz CEUNAJWERIEALU-ARFHVFGLSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082741777 1257021754 /nfs/dbraw/zinc/02/17/54/1257021754.db2.gz CEUNAJWERIEALU-ARFHVFGLSA-N 2 1 360.506 0.893 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)cc1=O ZINC001082742522 1257023819 /nfs/dbraw/zinc/02/38/19/1257023819.db2.gz IQCRECABPNUGQX-SQWLQELKSA-N 2 1 363.458 0.927 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082807328 1257064705 /nfs/dbraw/zinc/06/47/05/1257064705.db2.gz AVOWZZZBGWJUPR-CRAIPNDOSA-N 2 1 363.506 0.659 20 0 FCADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082807890 1257067678 /nfs/dbraw/zinc/06/76/78/1257067678.db2.gz JEOPGAGSLBGPRW-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521127313 1266089160 /nfs/dbraw/zinc/08/91/60/1266089160.db2.gz XUGCQJYHMNIKHR-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521127313 1266089175 /nfs/dbraw/zinc/08/91/75/1266089175.db2.gz XUGCQJYHMNIKHR-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001521127313 1266089181 /nfs/dbraw/zinc/08/91/81/1266089181.db2.gz XUGCQJYHMNIKHR-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001521127313 1266089194 /nfs/dbraw/zinc/08/91/94/1266089194.db2.gz XUGCQJYHMNIKHR-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082920167 1257145650 /nfs/dbraw/zinc/14/56/50/1257145650.db2.gz SYKZZUQLHHTSBS-UKPHBRMFSA-N 2 1 356.474 0.857 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082921058 1257145844 /nfs/dbraw/zinc/14/58/44/1257145844.db2.gz SKGYQSIQLZDLGO-IVMMDQJWSA-N 2 1 359.474 0.948 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001082943267 1257160593 /nfs/dbraw/zinc/16/05/93/1257160593.db2.gz AZEXPEJEULEPHX-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082943267 1257160595 /nfs/dbraw/zinc/16/05/95/1257160595.db2.gz AZEXPEJEULEPHX-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083080234 1257278934 /nfs/dbraw/zinc/27/89/34/1257278934.db2.gz IVIVXXZWCKLYKZ-OKZBNKHCSA-N 2 1 361.490 0.668 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083080234 1257278939 /nfs/dbraw/zinc/27/89/39/1257278939.db2.gz IVIVXXZWCKLYKZ-OKZBNKHCSA-N 2 1 361.490 0.668 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083080234 1257278946 /nfs/dbraw/zinc/27/89/46/1257278946.db2.gz IVIVXXZWCKLYKZ-OKZBNKHCSA-N 2 1 361.490 0.668 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083080234 1257278948 /nfs/dbraw/zinc/27/89/48/1257278948.db2.gz IVIVXXZWCKLYKZ-OKZBNKHCSA-N 2 1 361.490 0.668 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cccn4)C[C@@H]32)CC[N@@H+]1C ZINC001083087451 1257288296 /nfs/dbraw/zinc/28/82/96/1257288296.db2.gz KLYVTOAHIKFVKI-XWTMOSNGSA-N 2 1 361.490 0.525 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cccn4)C[C@@H]32)CC[N@H+]1C ZINC001083087451 1257288302 /nfs/dbraw/zinc/28/83/02/1257288302.db2.gz KLYVTOAHIKFVKI-XWTMOSNGSA-N 2 1 361.490 0.525 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]32)CC[NH+]1C ZINC001083087451 1257288305 /nfs/dbraw/zinc/28/83/05/1257288305.db2.gz KLYVTOAHIKFVKI-XWTMOSNGSA-N 2 1 361.490 0.525 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]32)CC[NH+]1C ZINC001083087451 1257288309 /nfs/dbraw/zinc/28/83/09/1257288309.db2.gz KLYVTOAHIKFVKI-XWTMOSNGSA-N 2 1 361.490 0.525 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)n1 ZINC001083469532 1257461479 /nfs/dbraw/zinc/46/14/79/1257461479.db2.gz WVHUYKNLSLNPNE-MOPGFXCFSA-N 2 1 371.485 0.462 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778670 1257518988 /nfs/dbraw/zinc/51/89/88/1257518988.db2.gz UPNZRDSMLHFPNO-IPELMVKDSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778670 1257518992 /nfs/dbraw/zinc/51/89/92/1257518992.db2.gz UPNZRDSMLHFPNO-IPELMVKDSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778670 1257518998 /nfs/dbraw/zinc/51/89/98/1257518998.db2.gz UPNZRDSMLHFPNO-IPELMVKDSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083778670 1257519004 /nfs/dbraw/zinc/51/90/04/1257519004.db2.gz UPNZRDSMLHFPNO-IPELMVKDSA-N 2 1 360.502 0.898 20 0 FCADMP [NH3+]CCCSCCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001521433913 1266121858 /nfs/dbraw/zinc/12/18/58/1266121858.db2.gz RDCQEJJKJYWCPN-UHFFFAOYSA-N 2 1 356.536 0.615 20 0 FCADMP [NH3+]CCCSCCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001521433913 1266121864 /nfs/dbraw/zinc/12/18/64/1266121864.db2.gz RDCQEJJKJYWCPN-UHFFFAOYSA-N 2 1 356.536 0.615 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083826298 1257576964 /nfs/dbraw/zinc/57/69/64/1257576964.db2.gz LIHCJRZSPCSTFS-SJORKVTESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083826298 1257576969 /nfs/dbraw/zinc/57/69/69/1257576969.db2.gz LIHCJRZSPCSTFS-SJORKVTESA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832780 1257586428 /nfs/dbraw/zinc/58/64/28/1257586428.db2.gz UZDFCAVJPYRBQA-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832780 1257586431 /nfs/dbraw/zinc/58/64/31/1257586431.db2.gz UZDFCAVJPYRBQA-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832780 1257586436 /nfs/dbraw/zinc/58/64/36/1257586436.db2.gz UZDFCAVJPYRBQA-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083832780 1257586440 /nfs/dbraw/zinc/58/64/40/1257586440.db2.gz UZDFCAVJPYRBQA-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083962081 1257753070 /nfs/dbraw/zinc/75/30/70/1257753070.db2.gz UXCMNFLDCISPBR-LESCRADOSA-N 2 1 362.474 0.739 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083962081 1257753077 /nfs/dbraw/zinc/75/30/77/1257753077.db2.gz UXCMNFLDCISPBR-LESCRADOSA-N 2 1 362.474 0.739 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053594 1257864941 /nfs/dbraw/zinc/86/49/41/1257864941.db2.gz CVYVIBZFSMGYRV-XHSDSOJGSA-N 2 1 361.442 0.071 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053594 1257864951 /nfs/dbraw/zinc/86/49/51/1257864951.db2.gz CVYVIBZFSMGYRV-XHSDSOJGSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053594 1257864959 /nfs/dbraw/zinc/86/49/59/1257864959.db2.gz CVYVIBZFSMGYRV-XHSDSOJGSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053594 1257864969 /nfs/dbraw/zinc/86/49/69/1257864969.db2.gz CVYVIBZFSMGYRV-XHSDSOJGSA-N 2 1 361.442 0.071 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054080 1257866572 /nfs/dbraw/zinc/86/65/72/1257866572.db2.gz VSXABJUPTAJLRY-LZQZEXGQSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054080 1257866581 /nfs/dbraw/zinc/86/65/81/1257866581.db2.gz VSXABJUPTAJLRY-LZQZEXGQSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054080 1257866586 /nfs/dbraw/zinc/86/65/86/1257866586.db2.gz VSXABJUPTAJLRY-LZQZEXGQSA-N 2 1 359.470 0.372 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077987 1257905307 /nfs/dbraw/zinc/90/53/07/1257905307.db2.gz JEURRPVCXSUJGG-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077987 1257905313 /nfs/dbraw/zinc/90/53/13/1257905313.db2.gz JEURRPVCXSUJGG-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077987 1257905316 /nfs/dbraw/zinc/90/53/16/1257905316.db2.gz JEURRPVCXSUJGG-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2O)C1 ZINC001084077987 1257905324 /nfs/dbraw/zinc/90/53/24/1257905324.db2.gz JEURRPVCXSUJGG-QYZOEREBSA-N 2 1 361.486 0.685 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)c1 ZINC001084088205 1257913283 /nfs/dbraw/zinc/91/32/83/1257913283.db2.gz WBNAYTSRNORBNM-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084338636 1258032710 /nfs/dbraw/zinc/03/27/10/1258032710.db2.gz ZOGDUINFSKRODR-IXDOHACOSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084338636 1258032718 /nfs/dbraw/zinc/03/27/18/1258032718.db2.gz ZOGDUINFSKRODR-IXDOHACOSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084338636 1258032724 /nfs/dbraw/zinc/03/27/24/1258032724.db2.gz ZOGDUINFSKRODR-IXDOHACOSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084338636 1258032731 /nfs/dbraw/zinc/03/27/31/1258032731.db2.gz ZOGDUINFSKRODR-IXDOHACOSA-N 2 1 363.506 0.417 20 0 FCADMP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+](CCC4)C5)[C@@H]3C2)C1=O ZINC001084442507 1258113751 /nfs/dbraw/zinc/11/37/51/1258113751.db2.gz ISWWHFYTXBUHCD-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+](CCC4)C5)[C@@H]3C2)C1=O ZINC001084442507 1258113756 /nfs/dbraw/zinc/11/37/56/1258113756.db2.gz ISWWHFYTXBUHCD-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185082 1266165666 /nfs/dbraw/zinc/16/56/66/1266165666.db2.gz OCVRVXCAJOYDJS-FGTMMUONSA-N 2 1 373.501 0.748 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001084608712 1258196509 /nfs/dbraw/zinc/19/65/09/1258196509.db2.gz IBXZLWKEUBCRHW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001084608712 1258196514 /nfs/dbraw/zinc/19/65/14/1258196514.db2.gz IBXZLWKEUBCRHW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001084608712 1258196518 /nfs/dbraw/zinc/19/65/18/1258196518.db2.gz IBXZLWKEUBCRHW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001084631056 1258210362 /nfs/dbraw/zinc/21/03/62/1258210362.db2.gz AEWSDKPKMTTYBN-KZNAEPCWSA-N 2 1 361.490 0.119 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001084630685 1258210658 /nfs/dbraw/zinc/21/06/58/1258210658.db2.gz QFPVDEGTDAAQOC-IXDOHACOSA-N 2 1 358.490 0.640 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197308 1266169140 /nfs/dbraw/zinc/16/91/40/1266169140.db2.gz PLRQVAVGFJXYJO-MVJTYMMSSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331197308 1266169150 /nfs/dbraw/zinc/16/91/50/1266169150.db2.gz PLRQVAVGFJXYJO-MVJTYMMSSA-N 2 1 358.486 0.961 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N1CCCCC1 ZINC001084777679 1258320693 /nfs/dbraw/zinc/32/06/93/1258320693.db2.gz KPEUJXPIWOCECK-IAGOWNOFSA-N 2 1 360.502 0.627 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N1CCCCC1 ZINC001084777679 1258320701 /nfs/dbraw/zinc/32/07/01/1258320701.db2.gz KPEUJXPIWOCECK-IAGOWNOFSA-N 2 1 360.502 0.627 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830450 1258374904 /nfs/dbraw/zinc/37/49/04/1258374904.db2.gz VYVVVFPPSGIFKW-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830450 1258374913 /nfs/dbraw/zinc/37/49/13/1258374913.db2.gz VYVVVFPPSGIFKW-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830450 1258374917 /nfs/dbraw/zinc/37/49/17/1258374917.db2.gz VYVVVFPPSGIFKW-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCCC4)C[C@H]32)C1 ZINC001084830450 1258374923 /nfs/dbraw/zinc/37/49/23/1258374923.db2.gz VYVVVFPPSGIFKW-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905952 1258429252 /nfs/dbraw/zinc/42/92/52/1258429252.db2.gz UYSNTZONHCEHDN-OAGGEKHMSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905952 1258429254 /nfs/dbraw/zinc/42/92/54/1258429254.db2.gz UYSNTZONHCEHDN-OAGGEKHMSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084905952 1258429255 /nfs/dbraw/zinc/42/92/55/1258429255.db2.gz UYSNTZONHCEHDN-OAGGEKHMSA-N 2 1 362.474 0.152 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21)NC1CC1 ZINC001084941355 1258454192 /nfs/dbraw/zinc/45/41/92/1258454192.db2.gz CXCBACRXOHTOKL-NXHRZFHOSA-N 2 1 360.502 0.530 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957607 1258469212 /nfs/dbraw/zinc/46/92/12/1258469212.db2.gz KEUHLDHIHUPROF-KURKYZTESA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957607 1258469216 /nfs/dbraw/zinc/46/92/16/1258469216.db2.gz KEUHLDHIHUPROF-KURKYZTESA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001084957607 1258469219 /nfs/dbraw/zinc/46/92/19/1258469219.db2.gz KEUHLDHIHUPROF-KURKYZTESA-N 2 1 364.534 0.975 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001084990295 1258501602 /nfs/dbraw/zinc/50/16/02/1258501602.db2.gz NVILGANAWXNCHX-IKGGRYGDSA-N 2 1 369.473 0.893 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001084990295 1258501607 /nfs/dbraw/zinc/50/16/07/1258501607.db2.gz NVILGANAWXNCHX-IKGGRYGDSA-N 2 1 369.473 0.893 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC001331306575 1266189014 /nfs/dbraw/zinc/18/90/14/1266189014.db2.gz WFOCDSPNOZYGRH-CRAIPNDOSA-N 2 1 374.485 0.578 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)N1CCCC1 ZINC001085076308 1258571809 /nfs/dbraw/zinc/57/18/09/1258571809.db2.gz ZEHFOWKCUPXFLO-SJORKVTESA-N 2 1 360.502 0.627 20 0 FCADMP O=C(N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076144 1258572302 /nfs/dbraw/zinc/57/23/02/1258572302.db2.gz MPQRVHNVLLBWTF-IKGGRYGDSA-N 2 1 370.501 0.784 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)ccn1 ZINC001085159520 1258613960 /nfs/dbraw/zinc/61/39/60/1258613960.db2.gz XTXKRKIVGIBOKZ-ZACQAIPSSA-N 2 1 362.474 0.938 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccn1 ZINC001085159520 1258613968 /nfs/dbraw/zinc/61/39/68/1258613968.db2.gz XTXKRKIVGIBOKZ-ZACQAIPSSA-N 2 1 362.474 0.938 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)n1 ZINC001085203141 1258629034 /nfs/dbraw/zinc/62/90/34/1258629034.db2.gz RDPCJUNDIHPMOM-HUUCEWRRSA-N 2 1 361.450 0.659 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)CC[N@@H+]1C ZINC001085203870 1258629883 /nfs/dbraw/zinc/62/98/83/1258629883.db2.gz HIGVMBWVKKNUOJ-DTZQCDIJSA-N 2 1 361.494 0.865 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)CC[N@H+]1C ZINC001085203870 1258629890 /nfs/dbraw/zinc/62/98/90/1258629890.db2.gz HIGVMBWVKKNUOJ-DTZQCDIJSA-N 2 1 361.494 0.865 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170454 1258688780 /nfs/dbraw/zinc/68/87/80/1258688780.db2.gz RZFFGZJFLGHMED-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170454 1258688788 /nfs/dbraw/zinc/68/87/88/1258688788.db2.gz RZFFGZJFLGHMED-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088170454 1258688796 /nfs/dbraw/zinc/68/87/96/1258688796.db2.gz RZFFGZJFLGHMED-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088173181 1258691997 /nfs/dbraw/zinc/69/19/97/1258691997.db2.gz VYZZXWDMQZFVFZ-CABCVRRESA-N 2 1 371.485 0.820 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172906 1258692062 /nfs/dbraw/zinc/69/20/62/1258692062.db2.gz JRNATSNATJRESD-ZNMIVQPWSA-N 2 1 359.474 0.676 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172809 1258694310 /nfs/dbraw/zinc/69/43/10/1258694310.db2.gz FZWOYCOBPLQQFT-YCPHGPKFSA-N 2 1 359.474 0.805 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199508 1258719512 /nfs/dbraw/zinc/71/95/12/1258719512.db2.gz QUGZNIFXCNHXPB-SQNIBIBYSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199508 1258719515 /nfs/dbraw/zinc/71/95/15/1258719515.db2.gz QUGZNIFXCNHXPB-SQNIBIBYSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199508 1258719517 /nfs/dbraw/zinc/71/95/17/1258719517.db2.gz QUGZNIFXCNHXPB-SQNIBIBYSA-N 2 1 362.518 0.731 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)cc1=O ZINC001088200899 1258722717 /nfs/dbraw/zinc/72/27/17/1258722717.db2.gz AMBNSFKIMLCHSG-MSOLQXFVSA-N 2 1 358.486 0.761 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088201693 1258724745 /nfs/dbraw/zinc/72/47/45/1258724745.db2.gz PPPIZQGREAAHAP-SQNIBIBYSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001088202190 1258725098 /nfs/dbraw/zinc/72/50/98/1258725098.db2.gz OJPKGVVEPJCXRZ-MSOLQXFVSA-N 2 1 356.474 0.948 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001088202190 1258725104 /nfs/dbraw/zinc/72/51/04/1258725104.db2.gz OJPKGVVEPJCXRZ-MSOLQXFVSA-N 2 1 356.474 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208179 1258733016 /nfs/dbraw/zinc/73/30/16/1258733016.db2.gz OYBCPWXPVKNWKR-SQNIBIBYSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208179 1258733024 /nfs/dbraw/zinc/73/30/24/1258733024.db2.gz OYBCPWXPVKNWKR-SQNIBIBYSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208179 1258733030 /nfs/dbraw/zinc/73/30/30/1258733030.db2.gz OYBCPWXPVKNWKR-SQNIBIBYSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)C1 ZINC001088208179 1258733034 /nfs/dbraw/zinc/73/30/34/1258733034.db2.gz OYBCPWXPVKNWKR-SQNIBIBYSA-N 2 1 361.490 0.421 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1)NC1CC1 ZINC001088211592 1258734262 /nfs/dbraw/zinc/73/42/62/1258734262.db2.gz REAZREYPWRFUTA-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088211563 1258734394 /nfs/dbraw/zinc/73/43/94/1258734394.db2.gz PWYZVLMFMYTHJQ-FGTMMUONSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817000 1258854363 /nfs/dbraw/zinc/85/43/63/1258854363.db2.gz KGVOODIULRQYND-HZSPNIEDSA-N 2 1 356.430 0.439 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001092817280 1258854768 /nfs/dbraw/zinc/85/47/68/1258854768.db2.gz RWLWGJFJYFBPBL-CPUCHLNUSA-N 2 1 368.441 0.454 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001100344809 1258908339 /nfs/dbraw/zinc/90/83/39/1258908339.db2.gz GPODCCOWTFOYBR-SJJHQCBESA-N 2 1 367.538 0.909 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001100343755 1258908842 /nfs/dbraw/zinc/90/88/42/1258908842.db2.gz RFUJLSLHJKAKLB-XSCHDIRWSA-N 2 1 363.462 0.746 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106667934 1258937439 /nfs/dbraw/zinc/93/74/39/1258937439.db2.gz CWXFDUCFBXEHNE-ZIAGYGMSSA-N 2 1 363.462 0.314 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001106672385 1258938628 /nfs/dbraw/zinc/93/86/28/1258938628.db2.gz SJNWCLRIXQMZKE-SOLBZPMBSA-N 2 1 360.502 0.719 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106775571 1258960158 /nfs/dbraw/zinc/96/01/58/1258960158.db2.gz QJSIXJGLGJFPAS-HZPDHXFCSA-N 2 1 365.526 0.906 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106775571 1258960165 /nfs/dbraw/zinc/96/01/65/1258960165.db2.gz QJSIXJGLGJFPAS-HZPDHXFCSA-N 2 1 365.526 0.906 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1 ZINC001106839865 1258974132 /nfs/dbraw/zinc/97/41/32/1258974132.db2.gz QNCAOQXKECQFPI-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1 ZINC001106839865 1258974136 /nfs/dbraw/zinc/97/41/36/1258974136.db2.gz QNCAOQXKECQFPI-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874868 1258985477 /nfs/dbraw/zinc/98/54/77/1258985477.db2.gz VZSAKTOKIPRZAA-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106881367 1258987645 /nfs/dbraw/zinc/98/76/45/1258987645.db2.gz CQNXSIAHSJBBDH-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106909091 1258994131 /nfs/dbraw/zinc/99/41/31/1258994131.db2.gz DSEPJVNHUSSVHK-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106986312 1259011525 /nfs/dbraw/zinc/01/15/25/1259011525.db2.gz JVHQWDHDKJMDNX-UKRRQHHQSA-N 2 1 371.445 0.304 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409500 1259078581 /nfs/dbraw/zinc/07/85/81/1259078581.db2.gz VMLPMDIHSLIVPD-MBOZVWFJSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)CC1 ZINC001107521254 1259106969 /nfs/dbraw/zinc/10/69/69/1259106969.db2.gz UJEMKDPKVSAVHU-SJLPKXTDSA-N 2 1 360.506 0.981 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530708 1259109360 /nfs/dbraw/zinc/10/93/60/1259109360.db2.gz HTJPNDXMFARECR-VQIMIIECSA-N 2 1 368.522 0.452 20 0 FCADMP Cn1cnnc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609182 1259131852 /nfs/dbraw/zinc/13/18/52/1259131852.db2.gz HCHKVJTXUAQTNS-CRAIPNDOSA-N 2 1 364.494 0.254 20 0 FCADMP Cn1cnnc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609182 1259131858 /nfs/dbraw/zinc/13/18/58/1259131858.db2.gz HCHKVJTXUAQTNS-CRAIPNDOSA-N 2 1 364.494 0.254 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(=O)NC)CC2 ZINC001107615237 1259133439 /nfs/dbraw/zinc/13/34/39/1259133439.db2.gz ZIUYKDWTGSHTMX-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(=O)NC)CC2 ZINC001107615237 1259133441 /nfs/dbraw/zinc/13/34/41/1259133441.db2.gz ZIUYKDWTGSHTMX-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2 ZINC001107615237 1259133444 /nfs/dbraw/zinc/13/34/44/1259133444.db2.gz ZIUYKDWTGSHTMX-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403611 1259158171 /nfs/dbraw/zinc/15/81/71/1259158171.db2.gz PREGOTJMVYGCON-IKGGRYGDSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nc3ccccc3c(=O)n2C)CC[N@@H+]1C ZINC001127638742 1259183489 /nfs/dbraw/zinc/18/34/89/1259183489.db2.gz OBUMBWKBONKPRB-ZIAGYGMSSA-N 2 1 357.458 0.480 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nc3ccccc3c(=O)n2C)CC[N@H+]1C ZINC001127638742 1259183493 /nfs/dbraw/zinc/18/34/93/1259183493.db2.gz OBUMBWKBONKPRB-ZIAGYGMSSA-N 2 1 357.458 0.480 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnnn2Cc2ccccc2)CC[N@@H+]1C ZINC001127643820 1259183612 /nfs/dbraw/zinc/18/36/12/1259183612.db2.gz MXPZGBIGXZSHSU-GDBMZVCRSA-N 2 1 357.462 0.267 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnnn2Cc2ccccc2)CC[N@H+]1C ZINC001127643820 1259183614 /nfs/dbraw/zinc/18/36/14/1259183614.db2.gz MXPZGBIGXZSHSU-GDBMZVCRSA-N 2 1 357.462 0.267 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129032327 1259294596 /nfs/dbraw/zinc/29/45/96/1259294596.db2.gz NHWSRWLYIOQJQA-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1)OC ZINC001129049219 1259298653 /nfs/dbraw/zinc/29/86/53/1259298653.db2.gz SGCOGHTVAAGLCC-XHSDSOJGSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064375 1259303284 /nfs/dbraw/zinc/30/32/84/1259303284.db2.gz BKQVYCVLNLXAMB-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064375 1259303289 /nfs/dbraw/zinc/30/32/89/1259303289.db2.gz BKQVYCVLNLXAMB-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064375 1259303296 /nfs/dbraw/zinc/30/32/96/1259303296.db2.gz BKQVYCVLNLXAMB-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064375 1259303303 /nfs/dbraw/zinc/30/33/03/1259303303.db2.gz BKQVYCVLNLXAMB-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129220213 1259347571 /nfs/dbraw/zinc/34/75/71/1259347571.db2.gz REHFBOOGDKFRGB-MSOLQXFVSA-N 2 1 356.474 0.814 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1C ZINC001141564778 1259379643 /nfs/dbraw/zinc/37/96/43/1259379643.db2.gz LTLXPIQBZWNTJO-NVXWUHKLSA-N 2 1 366.506 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1C ZINC001141564778 1259379649 /nfs/dbraw/zinc/37/96/49/1259379649.db2.gz LTLXPIQBZWNTJO-NVXWUHKLSA-N 2 1 366.506 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1C ZINC001141564780 1259379688 /nfs/dbraw/zinc/37/96/88/1259379688.db2.gz LTLXPIQBZWNTJO-WBVHZDCISA-N 2 1 366.506 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1C ZINC001141564780 1259379692 /nfs/dbraw/zinc/37/96/92/1259379692.db2.gz LTLXPIQBZWNTJO-WBVHZDCISA-N 2 1 366.506 0.488 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653781 1266258255 /nfs/dbraw/zinc/25/82/55/1266258255.db2.gz UTVUDXOFAQTPLU-VDHUWJSZSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331653777 1266258584 /nfs/dbraw/zinc/25/85/84/1266258584.db2.gz UTVUDXOFAQTPLU-NRSFXHEJSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001200536249 1259416273 /nfs/dbraw/zinc/41/62/73/1259416273.db2.gz CCEZWYQZBSVGHU-DJIMGWMZSA-N 2 1 366.506 0.060 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293314 1259455469 /nfs/dbraw/zinc/45/54/69/1259455469.db2.gz FSRCRQCHPLDKCI-GUDVDZBRSA-N 2 1 365.518 0.960 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212353216 1259470593 /nfs/dbraw/zinc/47/05/93/1259470593.db2.gz MHHYMSXWVKFQEJ-GVDBMIGSSA-N 2 1 369.485 0.458 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212353216 1259470596 /nfs/dbraw/zinc/47/05/96/1259470596.db2.gz MHHYMSXWVKFQEJ-GVDBMIGSSA-N 2 1 369.485 0.458 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416500 1259497698 /nfs/dbraw/zinc/49/76/98/1259497698.db2.gz MZYBQKKLWRTHSV-IAGOWNOFSA-N 2 1 364.494 0.195 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416500 1259497701 /nfs/dbraw/zinc/49/77/01/1259497701.db2.gz MZYBQKKLWRTHSV-IAGOWNOFSA-N 2 1 364.494 0.195 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416500 1259497703 /nfs/dbraw/zinc/49/77/03/1259497703.db2.gz MZYBQKKLWRTHSV-IAGOWNOFSA-N 2 1 364.494 0.195 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416500 1259497707 /nfs/dbraw/zinc/49/77/07/1259497707.db2.gz MZYBQKKLWRTHSV-IAGOWNOFSA-N 2 1 364.494 0.195 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430654 1259501907 /nfs/dbraw/zinc/50/19/07/1259501907.db2.gz VMZDJWAAHCEDEP-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430654 1259501914 /nfs/dbraw/zinc/50/19/14/1259501914.db2.gz VMZDJWAAHCEDEP-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430654 1259501915 /nfs/dbraw/zinc/50/19/15/1259501915.db2.gz VMZDJWAAHCEDEP-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430654 1259501923 /nfs/dbraw/zinc/50/19/23/1259501923.db2.gz VMZDJWAAHCEDEP-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3cccc(N)n3)CC2)C1 ZINC001233371053 1259548848 /nfs/dbraw/zinc/54/88/48/1259548848.db2.gz XGTDUDZGGKDNIA-UHFFFAOYSA-N 2 1 361.490 0.666 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cccc(N)n3)CC2)C1 ZINC001233371053 1259548853 /nfs/dbraw/zinc/54/88/53/1259548853.db2.gz XGTDUDZGGKDNIA-UHFFFAOYSA-N 2 1 361.490 0.666 20 0 FCADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](CCCC[NH3+])C2 ZINC001235455785 1259572685 /nfs/dbraw/zinc/57/26/85/1259572685.db2.gz YQJGXXXDRTUOKA-LJQANCHMSA-N 2 1 374.489 0.595 20 0 FCADMP C[C@H]([NH3+])CN1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001235490334 1259574860 /nfs/dbraw/zinc/57/48/60/1259574860.db2.gz MAKPXCAAJKZTDI-JXFKEZNVSA-N 2 1 357.502 0.833 20 0 FCADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235597653 1259578284 /nfs/dbraw/zinc/57/82/84/1259578284.db2.gz RWYZXTMXTHDKGV-MKXGPGLRSA-N 2 1 359.470 0.915 20 0 FCADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235597653 1259578290 /nfs/dbraw/zinc/57/82/90/1259578290.db2.gz RWYZXTMXTHDKGV-MKXGPGLRSA-N 2 1 359.470 0.915 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)O1 ZINC001235589496 1259579210 /nfs/dbraw/zinc/57/92/10/1259579210.db2.gz QGAVKVPXCRZBDP-GJYPPUQNSA-N 2 1 367.490 0.298 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)O1 ZINC001235589496 1259579216 /nfs/dbraw/zinc/57/92/16/1259579216.db2.gz QGAVKVPXCRZBDP-GJYPPUQNSA-N 2 1 367.490 0.298 20 0 FCADMP [NH3+]CCCC[N@H+]1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001235618797 1259580450 /nfs/dbraw/zinc/58/04/50/1259580450.db2.gz RZHDDJZCYYUKQM-UHFFFAOYSA-N 2 1 362.478 0.493 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)nc1 ZINC001236025984 1259586644 /nfs/dbraw/zinc/58/66/44/1259586644.db2.gz GULSODPMDUPKTR-DEWZPKMOSA-N 2 1 359.426 0.699 20 0 FCADMP COC(=O)c1ccnc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)c1 ZINC001236028988 1259587626 /nfs/dbraw/zinc/58/76/26/1259587626.db2.gz WMVBPFSIAAXYMY-DEWZPKMOSA-N 2 1 359.426 0.699 20 0 FCADMP Cc1ncncc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001238162878 1259619077 /nfs/dbraw/zinc/61/90/77/1259619077.db2.gz CQUIYTPBXUNRJS-UHFFFAOYSA-N 2 1 361.490 0.788 20 0 FCADMP [NH3+]C1CCN(c2ccnc(-c3cnn(CC[NH+]4CCOCC4)c3)n2)CC1 ZINC001240540754 1259627857 /nfs/dbraw/zinc/62/78/57/1259627857.db2.gz XSFFQUCEMGEQAU-UHFFFAOYSA-N 2 1 357.462 0.600 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3cccnc3OC3C[NH2+]C3)cc2)CC1 ZINC001242101135 1259633820 /nfs/dbraw/zinc/63/38/20/1259633820.db2.gz MUWKYHJEKYYJKG-UHFFFAOYSA-N 2 1 367.453 0.991 20 0 FCADMP O[C@H](C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036360 1259646392 /nfs/dbraw/zinc/64/63/92/1259646392.db2.gz QHIOKGFWIISLAW-ZCNNSNEGSA-N 3 1 359.514 0.931 20 0 FCADMP O[C@H](CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036360 1259646399 /nfs/dbraw/zinc/64/63/99/1259646399.db2.gz QHIOKGFWIISLAW-ZCNNSNEGSA-N 2 1 359.514 0.931 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]1C2 ZINC001246048231 1259646978 /nfs/dbraw/zinc/64/69/78/1259646978.db2.gz WAVLOLFZYUPYIJ-IIZUFCTNSA-N 2 1 364.442 0.488 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412594 1259651798 /nfs/dbraw/zinc/65/17/98/1259651798.db2.gz PNHJAXMPBWGKJM-QAPCUYQASA-N 2 1 357.495 0.651 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412594 1259651808 /nfs/dbraw/zinc/65/18/08/1259651808.db2.gz PNHJAXMPBWGKJM-QAPCUYQASA-N 2 1 357.495 0.651 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680573 1259660340 /nfs/dbraw/zinc/66/03/40/1259660340.db2.gz VWCCCTBEWMFVKD-OIISXLGYSA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680573 1259660342 /nfs/dbraw/zinc/66/03/42/1259660342.db2.gz VWCCCTBEWMFVKD-OIISXLGYSA-N 2 1 367.490 0.629 20 0 FCADMP O=C(c1cnccn1)N1CCC2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246696348 1259661666 /nfs/dbraw/zinc/66/16/66/1259661666.db2.gz RKNXZIUHGTYMJQ-INIZCTEOSA-N 2 1 370.501 0.499 20 0 FCADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1)C1CCOCC1 ZINC001246712146 1259665237 /nfs/dbraw/zinc/66/52/37/1259665237.db2.gz FBFZLCUGTNZIQL-INDMIFKZSA-N 2 1 365.518 0.755 20 0 FCADMP O=C1CCCN1C[C@H]1Cn2ccnc2C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246711748 1259665694 /nfs/dbraw/zinc/66/56/94/1259665694.db2.gz WYFGJFAWRHXFAP-CVEARBPZSA-N 2 1 358.490 0.031 20 0 FCADMP Fc1cccnc1OC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246720910 1259668990 /nfs/dbraw/zinc/66/89/90/1259668990.db2.gz CQVHOXZHUFXYCC-RKVPGOIHSA-N 2 1 362.449 0.642 20 0 FCADMP C[C@H]1CCCN1C(=O)c1nn([C@@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]CC2 ZINC001246729864 1259670082 /nfs/dbraw/zinc/67/00/82/1259670082.db2.gz PWTLUTDLGKNUBY-UONOGXRCSA-N 2 1 358.490 0.420 20 0 FCADMP c1cnn(C[C@H]2CC[C@]3(COCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726763 1259670199 /nfs/dbraw/zinc/67/01/99/1259670199.db2.gz TZFZNDSWBGJADR-LMMKCTJWSA-N 2 1 361.490 0.227 20 0 FCADMP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246727160 1259670717 /nfs/dbraw/zinc/67/07/17/1259670717.db2.gz UUJJDJKZWJIQKK-FRQCXROJSA-N 2 1 365.522 0.365 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740568 1259675248 /nfs/dbraw/zinc/67/52/48/1259675248.db2.gz MTPOFOZSARAIMT-PEJOBZMASA-N 2 1 359.474 0.684 20 0 FCADMP O=C(NC1CCCC1)c1nn([C@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]CC2 ZINC001246745706 1259678579 /nfs/dbraw/zinc/67/85/79/1259678579.db2.gz FZUUHABTXFMRLJ-AWEZNQCLSA-N 2 1 358.490 0.468 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752304 1259679302 /nfs/dbraw/zinc/67/93/02/1259679302.db2.gz ZCXZIUDIEKZDQS-UYAOXDASSA-N 2 1 369.513 0.990 20 0 FCADMP O=C1N(c2cncnc2)CC[C@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765384 1259683742 /nfs/dbraw/zinc/68/37/42/1259683742.db2.gz JMQLBAYIUXWIOH-QAPCUYQASA-N 2 1 356.474 0.390 20 0 FCADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762623 1259684917 /nfs/dbraw/zinc/68/49/17/1259684917.db2.gz WQEMRSRBNAESPC-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)CC[NH2+]1 ZINC001246762623 1259684927 /nfs/dbraw/zinc/68/49/27/1259684927.db2.gz WQEMRSRBNAESPC-RNGZQALNSA-N 2 1 359.474 0.684 20 0 FCADMP O=C1N(c2cncnc2)CC[C@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765386 1259685214 /nfs/dbraw/zinc/68/52/14/1259685214.db2.gz JMQLBAYIUXWIOH-YJBOKZPZSA-N 2 1 356.474 0.390 20 0 FCADMP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246785964 1259689511 /nfs/dbraw/zinc/68/95/11/1259689511.db2.gz BOCCRSAJEQDMQL-ABSDTBQOSA-N 2 1 364.534 0.866 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246855963 1259693637 /nfs/dbraw/zinc/69/36/37/1259693637.db2.gz CYBLXWLZRLFMDY-MSWPAXRKSA-N 2 1 365.474 0.001 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCc1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001247655459 1259704447 /nfs/dbraw/zinc/70/44/47/1259704447.db2.gz ZKAYAJIPWFOOPS-HNNXBMFYSA-N 2 1 359.430 0.921 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]c1 ZINC001335658287 1259768305 /nfs/dbraw/zinc/76/83/05/1259768305.db2.gz BJRDKRSITHOABS-INIZCTEOSA-N 2 1 374.489 0.655 20 0 FCADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](C[C@H](O)CO)CC1 ZINC001252058784 1259776907 /nfs/dbraw/zinc/77/69/07/1259776907.db2.gz ILOCLXNXQZSCQX-INIZCTEOSA-N 2 1 361.486 0.590 20 0 FCADMP COC(=O)C1(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001252947284 1259812092 /nfs/dbraw/zinc/81/20/92/1259812092.db2.gz BILBFKNBVRZSFE-IBGZPJMESA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N[C@@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252934552 1259813040 /nfs/dbraw/zinc/81/30/40/1259813040.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N[C@@H]1CCC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001252934552 1259813047 /nfs/dbraw/zinc/81/30/47/1259813047.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N[C@@H]1CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001252934552 1259813051 /nfs/dbraw/zinc/81/30/51/1259813051.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 1 361.486 0.850 20 0 FCADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3(O)CCOCC3)CC[C@@H]21 ZINC001252961221 1259815407 /nfs/dbraw/zinc/81/54/07/1259815407.db2.gz HXXHODBROXQYPV-SQNIBIBYSA-N 2 1 363.506 0.993 20 0 FCADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC3(O)CCOCC3)CC[C@@H]21 ZINC001252961221 1259815413 /nfs/dbraw/zinc/81/54/13/1259815413.db2.gz HXXHODBROXQYPV-SQNIBIBYSA-N 2 1 363.506 0.993 20 0 FCADMP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)O1 ZINC001253388849 1259838913 /nfs/dbraw/zinc/83/89/13/1259838913.db2.gz OVLSUCLEMIGQDL-QBPKDAKJSA-N 2 1 371.522 0.462 20 0 FCADMP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)O1 ZINC001253388849 1259838918 /nfs/dbraw/zinc/83/89/18/1259838918.db2.gz OVLSUCLEMIGQDL-QBPKDAKJSA-N 2 1 371.522 0.462 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677218 1259848955 /nfs/dbraw/zinc/84/89/55/1259848955.db2.gz FSNWUMUHZSUJGQ-ZACQAIPSSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677218 1259848958 /nfs/dbraw/zinc/84/89/58/1259848958.db2.gz FSNWUMUHZSUJGQ-ZACQAIPSSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677218 1259848961 /nfs/dbraw/zinc/84/89/61/1259848961.db2.gz FSNWUMUHZSUJGQ-ZACQAIPSSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677218 1259848963 /nfs/dbraw/zinc/84/89/63/1259848963.db2.gz FSNWUMUHZSUJGQ-ZACQAIPSSA-N 2 1 364.490 0.876 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)c1 ZINC001335844972 1259866294 /nfs/dbraw/zinc/86/62/94/1259866294.db2.gz SJTYRSNDCSBCKV-VDZJLULYSA-N 2 1 372.469 0.572 20 0 FCADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517508 1259887649 /nfs/dbraw/zinc/88/76/49/1259887649.db2.gz HSYNOGKRUNXTHZ-BGTYHANMSA-N 2 1 359.474 0.923 20 0 FCADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517508 1259887653 /nfs/dbraw/zinc/88/76/53/1259887653.db2.gz HSYNOGKRUNXTHZ-BGTYHANMSA-N 2 1 359.474 0.923 20 0 FCADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517508 1259887661 /nfs/dbraw/zinc/88/76/61/1259887661.db2.gz HSYNOGKRUNXTHZ-BGTYHANMSA-N 2 1 359.474 0.923 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[NH+](C)CC1)CC2 ZINC001254523657 1259889911 /nfs/dbraw/zinc/88/99/11/1259889911.db2.gz UYDQUFOILBQYJA-QGZVFWFLSA-N 2 1 360.502 0.821 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254523657 1259889921 /nfs/dbraw/zinc/88/99/21/1259889921.db2.gz UYDQUFOILBQYJA-QGZVFWFLSA-N 2 1 360.502 0.821 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254523657 1259889930 /nfs/dbraw/zinc/88/99/30/1259889930.db2.gz UYDQUFOILBQYJA-QGZVFWFLSA-N 2 1 360.502 0.821 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335987024 1259931765 /nfs/dbraw/zinc/93/17/65/1259931765.db2.gz RKNLYVIZDWRZCZ-LZZBAHKZSA-N 2 1 351.495 0.498 20 0 FCADMP Cc1cn([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001256072805 1259932568 /nfs/dbraw/zinc/93/25/68/1259932568.db2.gz XTVFEQREJJEUBV-ARFHVFGLSA-N 2 1 364.446 0.122 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076009 1259934468 /nfs/dbraw/zinc/93/44/68/1259934468.db2.gz FWIZYGHQNDTZIE-FQEVSTJZSA-N 2 1 364.534 0.774 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076009 1259934477 /nfs/dbraw/zinc/93/44/77/1259934477.db2.gz FWIZYGHQNDTZIE-FQEVSTJZSA-N 2 1 364.534 0.774 20 0 FCADMP Cn1c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)nc2ccccc2c1=O ZINC001331874429 1266298284 /nfs/dbraw/zinc/29/82/84/1266298284.db2.gz OHOZGTBXWLNRMU-UHFFFAOYSA-N 2 1 367.457 0.539 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001257150189 1259999409 /nfs/dbraw/zinc/99/94/09/1259999409.db2.gz JQBSKWNLGDTLSO-RDJZCZTQSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001257150189 1259999412 /nfs/dbraw/zinc/99/94/12/1259999412.db2.gz JQBSKWNLGDTLSO-RDJZCZTQSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001257150189 1259999415 /nfs/dbraw/zinc/99/94/15/1259999415.db2.gz JQBSKWNLGDTLSO-RDJZCZTQSA-N 2 1 366.506 0.035 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001257150188 1259999457 /nfs/dbraw/zinc/99/94/57/1259999457.db2.gz JQBSKWNLGDTLSO-NVXWUHKLSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001257150188 1259999460 /nfs/dbraw/zinc/99/94/60/1259999460.db2.gz JQBSKWNLGDTLSO-NVXWUHKLSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001257150188 1259999462 /nfs/dbraw/zinc/99/94/62/1259999462.db2.gz JQBSKWNLGDTLSO-NVXWUHKLSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001336176702 1260026906 /nfs/dbraw/zinc/02/69/06/1260026906.db2.gz VGOPECSLQXZLRZ-ZBFHGGJFSA-N 2 1 351.495 0.038 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001261383560 1260130701 /nfs/dbraw/zinc/13/07/01/1260130701.db2.gz OZAGDEPWPXWFRL-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001336719870 1260207313 /nfs/dbraw/zinc/20/73/13/1260207313.db2.gz AUWSSXDNDOCUCR-IRXDYDNUSA-N 2 1 368.522 0.801 20 0 FCADMP O=C(CNC[C@H](O)C[NH+]1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001336752177 1260214862 /nfs/dbraw/zinc/21/48/62/1260214862.db2.gz WNFLTHPGNKLYKP-IBGZPJMESA-N 2 1 360.502 0.377 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001336801846 1260225943 /nfs/dbraw/zinc/22/59/43/1260225943.db2.gz ZUVLDEFNBWQUCW-KSZLIROESA-N 2 1 369.531 0.787 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001336801846 1260225950 /nfs/dbraw/zinc/22/59/50/1260225950.db2.gz ZUVLDEFNBWQUCW-KSZLIROESA-N 2 1 369.531 0.787 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001336801847 1260225980 /nfs/dbraw/zinc/22/59/80/1260225980.db2.gz ZUVLDEFNBWQUCW-KURKYZTESA-N 2 1 369.531 0.787 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC001336801847 1260225988 /nfs/dbraw/zinc/22/59/88/1260225988.db2.gz ZUVLDEFNBWQUCW-KURKYZTESA-N 2 1 369.531 0.787 20 0 FCADMP CO[C@H]1COCC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336893024 1260247619 /nfs/dbraw/zinc/24/76/19/1260247619.db2.gz DIWUEIMLIAXYPL-BGTYHANMSA-N 2 1 366.506 0.648 20 0 FCADMP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001336908015 1260250667 /nfs/dbraw/zinc/25/06/67/1260250667.db2.gz MXIJPTQYVAOZSO-APWZRJJASA-N 2 1 366.506 0.781 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001336949680 1260264450 /nfs/dbraw/zinc/26/44/50/1260264450.db2.gz CKHQWUARCJQHRN-DSICWQNTSA-N 2 1 365.522 0.352 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001262568039 1260328068 /nfs/dbraw/zinc/32/80/68/1260328068.db2.gz KFMXNAGWASJMJD-QGZVFWFLSA-N 2 1 360.506 0.974 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC001262573055 1260329298 /nfs/dbraw/zinc/32/92/98/1260329298.db2.gz LCWJKRVHABYYBI-FQEVSTJZSA-N 2 1 372.469 0.164 20 0 FCADMP Cn1ccc(=O)n(CCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001262573055 1260329307 /nfs/dbraw/zinc/32/93/07/1260329307.db2.gz LCWJKRVHABYYBI-FQEVSTJZSA-N 2 1 372.469 0.164 20 0 FCADMP CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@@H]1OC ZINC001262579900 1260329543 /nfs/dbraw/zinc/32/95/43/1260329543.db2.gz CNXBUBODRIOZKK-RZFLPCETSA-N 2 1 366.506 0.789 20 0 FCADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)[C@H]1CN(C)CCO1 ZINC001262578072 1260329958 /nfs/dbraw/zinc/32/99/58/1260329958.db2.gz HNPUKPKEBPOTOF-NRSFXHEJSA-N 3 1 365.522 0.316 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574003 1260330271 /nfs/dbraw/zinc/33/02/71/1260330271.db2.gz ILPZQXVWIYQASK-RHSMWYFYSA-N 2 1 371.428 0.767 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263101109 1260341340 /nfs/dbraw/zinc/34/13/40/1260341340.db2.gz IRQPIUSCVGPHHV-LPHOPBHVSA-N 2 1 361.490 0.213 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC3(C[NH+](CCn4ccnc4)C3)CC2)CC1 ZINC001272867376 1260519954 /nfs/dbraw/zinc/51/99/54/1260519954.db2.gz HPHYYDZMEQOZEA-UHFFFAOYSA-N 2 1 360.506 0.055 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CCCC[N@H+]2C)C3)CC1 ZINC001273137225 1260600424 /nfs/dbraw/zinc/60/04/24/1260600424.db2.gz IRPHJGPLTSNAAI-OXFYSEKESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@H]2CCCC[N@H+]2C)C3)CC1 ZINC001273136539 1260600869 /nfs/dbraw/zinc/60/08/69/1260600869.db2.gz DJPQXRXLENYTOB-DLBZAZTESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCCC3)C[C@H](C1)O2 ZINC001273140318 1260607004 /nfs/dbraw/zinc/60/70/04/1260607004.db2.gz GOEFGHHEEXLURX-OTWHNJEPSA-N 2 1 364.534 0.867 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001273257326 1260638967 /nfs/dbraw/zinc/63/89/67/1260638967.db2.gz ZPWFQKUEYPUCTH-UYAOXDASSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001277725585 1260663846 /nfs/dbraw/zinc/66/38/46/1260663846.db2.gz BAHMXCWMXJTHQW-IBGZPJMESA-N 2 1 361.490 0.511 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1[nH]nc3c1CCC3)C2 ZINC001277725585 1260663855 /nfs/dbraw/zinc/66/38/55/1260663855.db2.gz BAHMXCWMXJTHQW-IBGZPJMESA-N 2 1 361.490 0.511 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001278478958 1260697717 /nfs/dbraw/zinc/69/77/17/1260697717.db2.gz GKDDAVFFNFEZRO-KSZLIROESA-N 2 1 362.518 0.729 20 0 FCADMP O=C1NC2(CC[NH+](Cc3cn[nH]c3)CC2)[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001278488890 1260699476 /nfs/dbraw/zinc/69/94/76/1260699476.db2.gz XGPMTQAVMFGYTI-IRXDYDNUSA-N 2 1 354.458 0.950 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1cn3c(n1)COCC3)CC2 ZINC001278797572 1260733822 /nfs/dbraw/zinc/73/38/22/1260733822.db2.gz NKIBDGQTGBGIPX-UHFFFAOYSA-N 2 1 361.490 0.789 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cccnc4)CC3)[C@H]2C1 ZINC001279177982 1260799111 /nfs/dbraw/zinc/79/91/11/1260799111.db2.gz BZFWHMHASSDFBN-ROUUACIJSA-N 2 1 357.502 0.656 20 0 FCADMP COc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)cnc1OC ZINC001279292513 1260825707 /nfs/dbraw/zinc/82/57/07/1260825707.db2.gz OGJCMIZFHJECHR-HUUCEWRRSA-N 2 1 360.458 0.741 20 0 FCADMP COc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)cnc1OC ZINC001279292513 1260825713 /nfs/dbraw/zinc/82/57/13/1260825713.db2.gz OGJCMIZFHJECHR-HUUCEWRRSA-N 2 1 360.458 0.741 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@@H]2C1 ZINC001279309974 1260834105 /nfs/dbraw/zinc/83/41/05/1260834105.db2.gz QSORNTJIODFJSA-HZPDHXFCSA-N 2 1 359.474 0.115 20 0 FCADMP Cc1nc[nH]c1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001279356319 1260848038 /nfs/dbraw/zinc/84/80/38/1260848038.db2.gz NBMWHOVVZDVBHM-HZPDHXFCSA-N 2 1 360.506 0.292 20 0 FCADMP Cc1nc[nH]c1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001279356319 1260848044 /nfs/dbraw/zinc/84/80/44/1260848044.db2.gz NBMWHOVVZDVBHM-HZPDHXFCSA-N 2 1 360.506 0.292 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[N@@H+](Cc3c[nH+]ccc3N)C[C@H]2CC1 ZINC001279616468 1260899718 /nfs/dbraw/zinc/89/97/18/1260899718.db2.gz KQWLKASKFGEDJG-OKILXGFUSA-N 2 1 355.446 0.607 20 0 FCADMP Cn1ncnc1C(=O)N1CC[C@H]2C[N@H+](Cc3c[nH+]ccc3N)C[C@H]2CC1 ZINC001279616468 1260899729 /nfs/dbraw/zinc/89/97/29/1260899729.db2.gz KQWLKASKFGEDJG-OKILXGFUSA-N 2 1 355.446 0.607 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001279618728 1260901774 /nfs/dbraw/zinc/90/17/74/1260901774.db2.gz ZLZUKANLZWSXTH-YRXWBPOGSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001279618728 1260901783 /nfs/dbraw/zinc/90/17/83/1260901783.db2.gz ZLZUKANLZWSXTH-YRXWBPOGSA-N 2 1 363.502 0.809 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001279662872 1260910089 /nfs/dbraw/zinc/91/00/89/1260910089.db2.gz WXXZXZNBVXENSQ-OALUTQOASA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](Cc2cccnn2)C3)CC1 ZINC001279854684 1260943514 /nfs/dbraw/zinc/94/35/14/1260943514.db2.gz SMLAHGVMGPBAFY-QGZVFWFLSA-N 2 1 359.474 0.526 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4ccnnc4)C[C@@H]3O2)CC1 ZINC001279859003 1260944539 /nfs/dbraw/zinc/94/45/39/1260944539.db2.gz FFJBBCDCERUTLY-NXHRZFHOSA-N 2 1 359.474 0.666 20 0 FCADMP Cc1n[nH]cc1C[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279863262 1260946834 /nfs/dbraw/zinc/94/68/34/1260946834.db2.gz QCRCRXADPBOUMT-MRXNPFEDSA-N 2 1 357.462 0.937 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@H]23)CC1 ZINC001279895870 1260954249 /nfs/dbraw/zinc/95/42/49/1260954249.db2.gz DBKCRXCFNZUDCD-DLBZAZTESA-N 2 1 364.490 0.700 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O1 ZINC001279914936 1260959123 /nfs/dbraw/zinc/95/91/23/1260959123.db2.gz YPWYAJUZRZNLHM-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@H](C)C(=O)OC)C[C@H]12 ZINC001280025619 1260979955 /nfs/dbraw/zinc/97/99/55/1260979955.db2.gz GCMHXLBWFUQSOA-SOUVJXGZSA-N 2 1 368.478 0.282 20 0 FCADMP O=C(C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12)NC1CC1 ZINC001280074757 1260991272 /nfs/dbraw/zinc/99/12/72/1260991272.db2.gz SMMIDADDZVDXFC-IRXDYDNUSA-N 2 1 360.502 0.720 20 0 FCADMP O=C(C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12)NC1CC1 ZINC001280074757 1260991280 /nfs/dbraw/zinc/99/12/80/1260991280.db2.gz SMMIDADDZVDXFC-IRXDYDNUSA-N 2 1 360.502 0.720 20 0 FCADMP CNC(=O)C(C)(C)[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001280075633 1260991827 /nfs/dbraw/zinc/99/18/27/1260991827.db2.gz RUPPVFUPGBJQIM-HOTGVXAUSA-N 2 1 362.518 0.966 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC001280093284 1260998808 /nfs/dbraw/zinc/99/88/08/1260998808.db2.gz KWCAHOVRASEGSG-IAGOWNOFSA-N 2 1 360.458 0.719 20 0 FCADMP Cn1c[nH+]cc1N1CC[N@@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280119638 1261009447 /nfs/dbraw/zinc/00/94/47/1261009447.db2.gz ABAIIEKZZDOREM-GOSISDBHSA-N 2 1 357.462 0.478 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)CC1 ZINC001280125181 1261011188 /nfs/dbraw/zinc/01/11/88/1261011188.db2.gz GVJPVCNINWQZDI-DLBZAZTESA-N 3 1 363.506 0.225 20 0 FCADMP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280173140 1261021152 /nfs/dbraw/zinc/02/11/52/1261021152.db2.gz KKXFQVIEUGCWLH-IRXDYDNUSA-N 2 1 359.474 0.163 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001280189503 1261026222 /nfs/dbraw/zinc/02/62/22/1261026222.db2.gz VDWLBUSTOOOGMH-BPUTZDHNSA-N 2 1 360.458 0.180 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280211580 1261033719 /nfs/dbraw/zinc/03/37/19/1261033719.db2.gz XGNIWONHWJBUNX-BEFAXECRSA-N 2 1 358.490 0.817 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280212368 1261034545 /nfs/dbraw/zinc/03/45/45/1261034545.db2.gz AXOBVXINQQUEKT-OAGGEKHMSA-N 2 1 359.474 0.291 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280212368 1261034551 /nfs/dbraw/zinc/03/45/51/1261034551.db2.gz AXOBVXINQQUEKT-OAGGEKHMSA-N 2 1 359.474 0.291 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213803 1261034995 /nfs/dbraw/zinc/03/49/95/1261034995.db2.gz SDGQJVONQIAVPB-XDNAFOTISA-N 2 1 362.518 0.905 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC001280223453 1261039416 /nfs/dbraw/zinc/03/94/16/1261039416.db2.gz KTOIDNWKUQKLLS-QZTJIDSGSA-N 2 1 363.550 0.156 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@]23c2ccccc2NC3=O)CC1 ZINC001280241480 1261040895 /nfs/dbraw/zinc/04/08/95/1261040895.db2.gz HZRDACOFBFLTDN-OXQOHEQNSA-N 2 1 356.470 0.991 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@@H](C(=O)NCc2c[nH]cn2)O3)CC1 ZINC001280251611 1261042014 /nfs/dbraw/zinc/04/20/14/1261042014.db2.gz ZNUHXGRFQJLRLD-KRWDZBQOSA-N 2 1 361.490 0.991 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280289635 1261048035 /nfs/dbraw/zinc/04/80/35/1261048035.db2.gz JFHKAKFVLOKYOK-RDTXWAMCSA-N 2 1 357.462 0.639 20 0 FCADMP COC[C@@H](O)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001281292888 1261107773 /nfs/dbraw/zinc/10/77/73/1261107773.db2.gz IJOUXYJOQHNHKA-MDASCCDHSA-N 2 1 361.486 0.966 20 0 FCADMP COC[C@@H](O)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001281292888 1261107776 /nfs/dbraw/zinc/10/77/76/1261107776.db2.gz IJOUXYJOQHNHKA-MDASCCDHSA-N 2 1 361.486 0.966 20 0 FCADMP COC[C@@H](O)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001281292888 1261107780 /nfs/dbraw/zinc/10/77/80/1261107780.db2.gz IJOUXYJOQHNHKA-MDASCCDHSA-N 2 1 361.486 0.966 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1OC ZINC001281848706 1261231841 /nfs/dbraw/zinc/23/18/41/1261231841.db2.gz XNTILCAAPHIDNG-QBPKDAKJSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OC ZINC001281848706 1261231845 /nfs/dbraw/zinc/23/18/45/1261231845.db2.gz XNTILCAAPHIDNG-QBPKDAKJSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OC ZINC001281848706 1261231851 /nfs/dbraw/zinc/23/18/51/1261231851.db2.gz XNTILCAAPHIDNG-QBPKDAKJSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281852077 1261234945 /nfs/dbraw/zinc/23/49/45/1261234945.db2.gz PZSMQDZATADYPV-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1)[C@H]1CCC[NH2+]1 ZINC001332432345 1266402663 /nfs/dbraw/zinc/40/26/63/1266402663.db2.gz VDGRDTYCYKSXHE-RRFJBIMHSA-N 2 1 374.489 0.207 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120513 1261637241 /nfs/dbraw/zinc/63/72/41/1261637241.db2.gz RZLXVAIQVRJNAX-SFHVURJKSA-N 2 1 359.470 0.868 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120513 1261637249 /nfs/dbraw/zinc/63/72/49/1261637249.db2.gz RZLXVAIQVRJNAX-SFHVURJKSA-N 2 1 359.470 0.868 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C[NH+]1CCOCC1 ZINC001345166703 1261644197 /nfs/dbraw/zinc/64/41/97/1261644197.db2.gz ANSCWXCTQNLBMG-INIZCTEOSA-N 2 1 366.506 0.063 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001295054852 1262755182 /nfs/dbraw/zinc/75/51/82/1262755182.db2.gz HXSNXSOUUFHTRN-ARFHVFGLSA-N 2 1 361.490 0.973 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301916123 1263027497 /nfs/dbraw/zinc/02/74/97/1263027497.db2.gz VMPGDYPWNAJEDG-HZPDHXFCSA-N 2 1 366.510 0.501 20 0 FCADMP NC(=O)Cn1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)nn1 ZINC001308344370 1263216759 /nfs/dbraw/zinc/21/67/59/1263216759.db2.gz HEEIWQAAQCEVNE-KRWDZBQOSA-N 2 1 358.446 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001316964487 1263495678 /nfs/dbraw/zinc/49/56/78/1263495678.db2.gz ZXAUKLYZFVMXFQ-SJLPKXTDSA-N 2 1 362.522 0.037 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385600 1278205236 /nfs/dbraw/zinc/20/52/36/1278205236.db2.gz PWHDOQOFUQYUTQ-FVQBIDKESA-N 2 1 369.473 0.897 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318661787 1263597890 /nfs/dbraw/zinc/59/78/90/1263597890.db2.gz OZLQHSZCENPHHU-QZTJIDSGSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318661787 1263597895 /nfs/dbraw/zinc/59/78/95/1263597895.db2.gz OZLQHSZCENPHHU-QZTJIDSGSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318661787 1263597898 /nfs/dbraw/zinc/59/78/98/1263597898.db2.gz OZLQHSZCENPHHU-QZTJIDSGSA-N 2 1 365.522 0.273 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cn1 ZINC001318801856 1263612854 /nfs/dbraw/zinc/61/28/54/1263612854.db2.gz YLLDPSGYRWAEOP-UHFFFAOYSA-N 2 1 372.429 0.087 20 0 FCADMP C[NH+]1CCN(Cc2cccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC001320359198 1263788256 /nfs/dbraw/zinc/78/82/56/1263788256.db2.gz IZPXHIRBQJZTSF-HXUWFJFHSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC001320359198 1263788260 /nfs/dbraw/zinc/78/82/60/1263788260.db2.gz IZPXHIRBQJZTSF-HXUWFJFHSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC001320359198 1263788265 /nfs/dbraw/zinc/78/82/65/1263788265.db2.gz IZPXHIRBQJZTSF-HXUWFJFHSA-N 2 1 371.529 0.440 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001496785970 1263896446 /nfs/dbraw/zinc/89/64/46/1263896446.db2.gz NPDDXFUCFFOURP-SQNIBIBYSA-N 2 1 360.502 0.986 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001496785970 1263896456 /nfs/dbraw/zinc/89/64/56/1263896456.db2.gz NPDDXFUCFFOURP-SQNIBIBYSA-N 2 1 360.502 0.986 20 0 FCADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496785970 1263896475 /nfs/dbraw/zinc/89/64/75/1263896475.db2.gz NPDDXFUCFFOURP-SQNIBIBYSA-N 2 1 360.502 0.986 20 0 FCADMP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496785970 1263896489 /nfs/dbraw/zinc/89/64/89/1263896489.db2.gz NPDDXFUCFFOURP-SQNIBIBYSA-N 2 1 360.502 0.986 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC001321498068 1263974982 /nfs/dbraw/zinc/97/49/82/1263974982.db2.gz OEZBXOLUOUZDHU-CRAIPNDOSA-N 2 1 373.501 0.761 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001321526629 1263983368 /nfs/dbraw/zinc/98/33/68/1263983368.db2.gz ZZRWQEXGXVQVEJ-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001321526629 1263983376 /nfs/dbraw/zinc/98/33/76/1263983376.db2.gz ZZRWQEXGXVQVEJ-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001321526629 1263983384 /nfs/dbraw/zinc/98/33/84/1263983384.db2.gz ZZRWQEXGXVQVEJ-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580389354 1278213324 /nfs/dbraw/zinc/21/33/24/1278213324.db2.gz BTCVDHMHJLKWHU-AAVRWANBSA-N 2 1 370.461 0.331 20 0 FCADMP COCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001322725608 1264249817 /nfs/dbraw/zinc/24/98/17/1264249817.db2.gz VSDKSPPAFJAZCJ-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP COCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC001322725608 1264249825 /nfs/dbraw/zinc/24/98/25/1264249825.db2.gz VSDKSPPAFJAZCJ-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001322960088 1264302146 /nfs/dbraw/zinc/30/21/46/1264302146.db2.gz XOSVANBMYBJHSX-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@@H]1n1ccnc1 ZINC001324907604 1264733384 /nfs/dbraw/zinc/73/33/84/1264733384.db2.gz SPRHKNCKBWJTST-ZACQAIPSSA-N 2 1 359.474 0.989 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)CCC1 ZINC001513071150 1264913777 /nfs/dbraw/zinc/91/37/77/1264913777.db2.gz WGNBIKJEIQGPBK-HUUCEWRRSA-N 2 1 368.522 0.137 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001325554208 1264927678 /nfs/dbraw/zinc/92/76/78/1264927678.db2.gz YCROBEGKJKGOHO-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001325554208 1264927686 /nfs/dbraw/zinc/92/76/86/1264927686.db2.gz YCROBEGKJKGOHO-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001325554208 1264927692 /nfs/dbraw/zinc/92/76/92/1264927692.db2.gz YCROBEGKJKGOHO-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001325554208 1264927699 /nfs/dbraw/zinc/92/76/99/1264927699.db2.gz YCROBEGKJKGOHO-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CCC4)C[C@@H]3C2)CC[N@H+]1C ZINC001325741107 1264982118 /nfs/dbraw/zinc/98/21/18/1264982118.db2.gz VLFCUCABSJTECJ-NRSFXHEJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@@H]3C2)CC[NH+]1C ZINC001325741107 1264982122 /nfs/dbraw/zinc/98/21/22/1264982122.db2.gz VLFCUCABSJTECJ-NRSFXHEJSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@@H]3C2)CC[NH+]1C ZINC001325741107 1264982126 /nfs/dbraw/zinc/98/21/26/1264982126.db2.gz VLFCUCABSJTECJ-NRSFXHEJSA-N 2 1 362.518 0.633 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC001325882776 1265014238 /nfs/dbraw/zinc/01/42/38/1265014238.db2.gz VYSQVVKWMWMUDW-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@H+]1CCOC ZINC001325882776 1265014250 /nfs/dbraw/zinc/01/42/50/1265014250.db2.gz VYSQVVKWMWMUDW-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580406134 1278240589 /nfs/dbraw/zinc/24/05/89/1278240589.db2.gz XLBJDTQAAFWBFH-ABAIWWIYSA-N 2 1 361.425 0.694 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001514018735 1265315430 /nfs/dbraw/zinc/31/54/30/1265315430.db2.gz FSYKYOVTWUZUKM-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001327720263 1265403690 /nfs/dbraw/zinc/40/36/90/1265403690.db2.gz GQDGHEUFTMDMTE-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001327720263 1265403693 /nfs/dbraw/zinc/40/36/93/1265403693.db2.gz GQDGHEUFTMDMTE-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP COC(=O)[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039601 1266527513 /nfs/dbraw/zinc/52/75/13/1266527513.db2.gz XCYINBYPBFUGRH-ICSRJNTNSA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@@H]1CN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+](C)C1 ZINC001333039601 1266527517 /nfs/dbraw/zinc/52/75/17/1266527517.db2.gz XCYINBYPBFUGRH-ICSRJNTNSA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@@H]1CN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C)C1 ZINC001333039601 1266527520 /nfs/dbraw/zinc/52/75/20/1266527520.db2.gz XCYINBYPBFUGRH-ICSRJNTNSA-N 2 1 361.486 0.660 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001333403345 1266592612 /nfs/dbraw/zinc/59/26/12/1266592612.db2.gz CGFNPEXWBGSYKF-FUHIMQAGSA-N 2 1 358.486 0.868 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC001333403154 1266592723 /nfs/dbraw/zinc/59/27/23/1266592723.db2.gz AUJVYNFCNWIOAF-QGTPRVQTSA-N 2 1 358.486 0.793 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC001333403151 1266593180 /nfs/dbraw/zinc/59/31/80/1266593180.db2.gz AUJVYNFCNWIOAF-FHLIZLRMSA-N 2 1 358.486 0.793 20 0 FCADMP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575032 1266636310 /nfs/dbraw/zinc/63/63/10/1266636310.db2.gz RBDDXEWBODYEDN-OAGGEKHMSA-N 2 1 350.463 0.597 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001524009208 1266675940 /nfs/dbraw/zinc/67/59/40/1266675940.db2.gz PQUFJFJTGWVUOB-DLBZAZTESA-N 2 1 359.474 0.162 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001527877763 1266931056 /nfs/dbraw/zinc/93/10/56/1266931056.db2.gz IJPPJGIAAYMMOS-UHFFFAOYSA-N 2 1 351.451 0.720 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCN2CCC3(C2)OCCO3)C1 ZINC001527877733 1266931127 /nfs/dbraw/zinc/93/11/27/1266931127.db2.gz HVUMAGYHXVVQFZ-QGZVFWFLSA-N 2 1 366.506 0.809 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3c[nH][nH]c3=O)CC2)CC1 ZINC001334706984 1267145311 /nfs/dbraw/zinc/14/53/11/1267145311.db2.gz LQQQLYIUVCMGSG-MRXNPFEDSA-N 2 1 363.506 0.811 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC001335190876 1267396516 /nfs/dbraw/zinc/39/65/16/1267396516.db2.gz WDLQEMHWUFZTEX-JZXOWHBKSA-N 2 1 369.506 0.123 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)[NH+]1CCOCC1 ZINC001540544133 1267452357 /nfs/dbraw/zinc/45/23/57/1267452357.db2.gz OJUPUTLHHDMEIU-RYQLBKOJSA-N 2 1 352.523 0.628 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+]1CCOCC1 ZINC001540544133 1267452364 /nfs/dbraw/zinc/45/23/64/1267452364.db2.gz OJUPUTLHHDMEIU-RYQLBKOJSA-N 2 1 352.523 0.628 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001549761665 1267993626 /nfs/dbraw/zinc/99/36/26/1267993626.db2.gz CKZJNDXWJBQXJU-PVAVHDDUSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001549761665 1267993631 /nfs/dbraw/zinc/99/36/31/1267993631.db2.gz CKZJNDXWJBQXJU-PVAVHDDUSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)CC[N@@H+](C2CC2)C1 ZINC001549761967 1267994004 /nfs/dbraw/zinc/99/40/04/1267994004.db2.gz JNVYDBMINQRAML-PBHICJAKSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)CC[N@H+](C2CC2)C1 ZINC001549761967 1267994013 /nfs/dbraw/zinc/99/40/13/1267994013.db2.gz JNVYDBMINQRAML-PBHICJAKSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761967 1267994021 /nfs/dbraw/zinc/99/40/21/1267994021.db2.gz JNVYDBMINQRAML-PBHICJAKSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761967 1267994025 /nfs/dbraw/zinc/99/40/25/1267994025.db2.gz JNVYDBMINQRAML-PBHICJAKSA-N 2 1 361.490 0.543 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC001549763463 1267995281 /nfs/dbraw/zinc/99/52/81/1267995281.db2.gz NGSPTCMKZSVVEM-JQHSSLGASA-N 2 1 374.533 0.722 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC001550005346 1268045124 /nfs/dbraw/zinc/04/51/24/1268045124.db2.gz NPPWGJWDQUPHQQ-BRWVUGGUSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC001550005346 1268045133 /nfs/dbraw/zinc/04/51/33/1268045133.db2.gz NPPWGJWDQUPHQQ-BRWVUGGUSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001550005346 1268045146 /nfs/dbraw/zinc/04/51/46/1268045146.db2.gz NPPWGJWDQUPHQQ-BRWVUGGUSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001550005346 1268045160 /nfs/dbraw/zinc/04/51/60/1268045160.db2.gz NPPWGJWDQUPHQQ-BRWVUGGUSA-N 2 1 361.490 0.950 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCC(C(N)=O)CC3)n2C)C[C@@H]1C ZINC001338704155 1268051073 /nfs/dbraw/zinc/05/10/73/1268051073.db2.gz QYANGBIEAVRCCW-KBPBESRZSA-N 2 1 363.510 0.431 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)C2)C1 ZINC001338704220 1268053065 /nfs/dbraw/zinc/05/30/65/1268053065.db2.gz MTHXPGADVIOLEP-WMLDXEAASA-N 2 1 350.463 0.409 20 0 FCADMP CO[C@@H]1CCOC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338757984 1268077379 /nfs/dbraw/zinc/07/73/79/1268077379.db2.gz BGULJHIUWZWQGF-YYIAUSFCSA-N 2 1 352.479 0.401 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC001338760232 1268079025 /nfs/dbraw/zinc/07/90/25/1268079025.db2.gz XPHCAKKTCFJKDS-OAHLLOKOSA-N 2 1 351.495 0.324 20 0 FCADMP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001338760232 1268079038 /nfs/dbraw/zinc/07/90/38/1268079038.db2.gz XPHCAKKTCFJKDS-OAHLLOKOSA-N 2 1 351.495 0.324 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001338760232 1268079051 /nfs/dbraw/zinc/07/90/51/1268079051.db2.gz XPHCAKKTCFJKDS-OAHLLOKOSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)n1cc([C@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@H]2CO)cn1 ZINC001550133182 1268080306 /nfs/dbraw/zinc/08/03/06/1268080306.db2.gz NWODSOIFAYIEGN-FUHWJXTLSA-N 2 1 363.506 0.682 20 0 FCADMP CC(C)n1cc([C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@H]2CO)cn1 ZINC001550133182 1268080319 /nfs/dbraw/zinc/08/03/19/1268080319.db2.gz NWODSOIFAYIEGN-FUHWJXTLSA-N 2 1 363.506 0.682 20 0 FCADMP O=C(CN1C[C@H]2CCC[N@H+]2C[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC001550146120 1268084321 /nfs/dbraw/zinc/08/43/21/1268084321.db2.gz YGIRGRYTKRAYQM-UXHICEINSA-N 2 1 372.513 0.472 20 0 FCADMP O=C(CN1C[C@H]2CCC[N@@H+]2C[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC001550146120 1268084334 /nfs/dbraw/zinc/08/43/34/1268084334.db2.gz YGIRGRYTKRAYQM-UXHICEINSA-N 2 1 372.513 0.472 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001550284671 1268103505 /nfs/dbraw/zinc/10/35/05/1268103505.db2.gz VVWIFRBYGSXOSB-QBPKDAKJSA-N 2 1 368.522 0.942 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550366232 1268108269 /nfs/dbraw/zinc/10/82/69/1268108269.db2.gz ORSDWBYVCXIXKM-YQQAZPJKSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550366232 1268108273 /nfs/dbraw/zinc/10/82/73/1268108273.db2.gz ORSDWBYVCXIXKM-YQQAZPJKSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001550366232 1268108278 /nfs/dbraw/zinc/10/82/78/1268108278.db2.gz ORSDWBYVCXIXKM-YQQAZPJKSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001550366232 1268108281 /nfs/dbraw/zinc/10/82/81/1268108281.db2.gz ORSDWBYVCXIXKM-YQQAZPJKSA-N 2 1 361.490 0.665 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486072 1268126886 /nfs/dbraw/zinc/12/68/86/1268126886.db2.gz IMERFLQSFPZHNK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486072 1268126891 /nfs/dbraw/zinc/12/68/91/1268126891.db2.gz IMERFLQSFPZHNK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486072 1268126894 /nfs/dbraw/zinc/12/68/94/1268126894.db2.gz IMERFLQSFPZHNK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486072 1268126897 /nfs/dbraw/zinc/12/68/97/1268126897.db2.gz IMERFLQSFPZHNK-HTCPCDBNSA-N 2 1 353.507 0.692 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)C2 ZINC001550485661 1268127716 /nfs/dbraw/zinc/12/77/16/1268127716.db2.gz BKNAPKUYBYARSF-PLOWYNNNSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)C2 ZINC001550485661 1268127718 /nfs/dbraw/zinc/12/77/18/1268127718.db2.gz BKNAPKUYBYARSF-PLOWYNNNSA-N 2 1 353.507 0.429 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)C2 ZINC001550485661 1268127720 /nfs/dbraw/zinc/12/77/20/1268127720.db2.gz BKNAPKUYBYARSF-PLOWYNNNSA-N 2 1 353.507 0.429 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@H]4NCC(=O)N[C@H]4C3)C2)cc1 ZINC001550751827 1268162078 /nfs/dbraw/zinc/16/20/78/1268162078.db2.gz ROGWHFVLYSYMCJ-KSZLIROESA-N 2 1 371.485 0.441 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[NH2+]CC(=O)N[C@H]4C3)C2)cc1 ZINC001550751827 1268162083 /nfs/dbraw/zinc/16/20/83/1268162083.db2.gz ROGWHFVLYSYMCJ-KSZLIROESA-N 2 1 371.485 0.441 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]C[C@@H]2F)C1 ZINC001550752730 1268162166 /nfs/dbraw/zinc/16/21/66/1268162166.db2.gz VRBABNAVJMSNEF-IKGGRYGDSA-N 2 1 350.438 0.805 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]C[C@@H]2F)C1 ZINC001550752730 1268162167 /nfs/dbraw/zinc/16/21/67/1268162167.db2.gz VRBABNAVJMSNEF-IKGGRYGDSA-N 2 1 350.438 0.805 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[N@@H+](C)C1 ZINC001550762518 1268164150 /nfs/dbraw/zinc/16/41/50/1268164150.db2.gz POSYPHWMEAIJQA-OWCLPIDISA-N 2 1 354.495 0.506 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001550759430 1268164690 /nfs/dbraw/zinc/16/46/90/1268164690.db2.gz BYVIDFCSKUIMHM-ZACQAIPSSA-N 2 1 366.506 0.507 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cs1 ZINC001550911773 1268184238 /nfs/dbraw/zinc/18/42/38/1268184238.db2.gz DMVRODNURSINLL-DZGCQCFKSA-N 2 1 351.476 0.838 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC001551026183 1268193615 /nfs/dbraw/zinc/19/36/15/1268193615.db2.gz KSTXZIBWWUAOGI-FUHWJXTLSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](CO)[C@@H](c3cnn(C)c3)C2)CC1 ZINC001551026183 1268193618 /nfs/dbraw/zinc/19/36/18/1268193618.db2.gz KSTXZIBWWUAOGI-FUHWJXTLSA-N 2 1 363.506 0.417 20 0 FCADMP O=C(CC[N@H+]1CCOC[C@H]1[C@@H]1CCOC1)N1CCN(c2ccccn2)CC1 ZINC001551387254 1268230354 /nfs/dbraw/zinc/23/03/54/1268230354.db2.gz JAOROQLYJROFTR-MSOLQXFVSA-N 2 1 374.485 0.858 20 0 FCADMP O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001551468856 1268258357 /nfs/dbraw/zinc/25/83/57/1268258357.db2.gz UUBGDTZCKJHCTF-MOPGFXCFSA-N 2 1 373.501 0.052 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC(C[NH3+])(c2ccccc2)C1 ZINC001551486923 1268260868 /nfs/dbraw/zinc/26/08/68/1268260868.db2.gz ZQAYGONWCWXPOE-VQSBYGRUSA-N 2 1 359.518 0.981 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551516173 1268263186 /nfs/dbraw/zinc/26/31/86/1268263186.db2.gz FDTDLFJGCRAILA-FUHWJXTLSA-N 2 1 359.474 0.463 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C[C@]2(C)C1 ZINC001551553028 1268265658 /nfs/dbraw/zinc/26/56/58/1268265658.db2.gz GNOMAVOHTKQSDD-LFEHRJTNSA-N 2 1 363.506 0.226 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551576871 1268275972 /nfs/dbraw/zinc/27/59/72/1268275972.db2.gz KKYNCUGGTNHIJO-ZMSDIMECSA-N 2 1 351.495 0.417 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551580553 1268278110 /nfs/dbraw/zinc/27/81/10/1268278110.db2.gz QBDRYKGTAVDSQO-HLLBOEOZSA-N 2 1 351.495 0.369 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551594783 1268281656 /nfs/dbraw/zinc/28/16/56/1268281656.db2.gz QAXZMHOTJSJXHK-NYCLONFESA-N 2 1 363.506 0.511 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551594777 1268281781 /nfs/dbraw/zinc/28/17/81/1268281781.db2.gz QAXZMHOTJSJXHK-KBEGMRNHSA-N 2 1 363.506 0.511 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934864 1268313278 /nfs/dbraw/zinc/31/32/78/1268313278.db2.gz CSRZDMUIJPKLAC-JJXSEGSLSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934864 1268313288 /nfs/dbraw/zinc/31/32/88/1268313288.db2.gz CSRZDMUIJPKLAC-JJXSEGSLSA-N 2 1 374.489 0.786 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC001552089486 1268369448 /nfs/dbraw/zinc/36/94/48/1268369448.db2.gz QBVNKBIGSYPDRH-USJZOSNVSA-N 2 1 363.506 0.599 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552099763 1268373899 /nfs/dbraw/zinc/37/38/99/1268373899.db2.gz SUMQYRLDYAXNGQ-RCCFBDPRSA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552099763 1268373909 /nfs/dbraw/zinc/37/39/09/1268373909.db2.gz SUMQYRLDYAXNGQ-RCCFBDPRSA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552099763 1268373918 /nfs/dbraw/zinc/37/39/18/1268373918.db2.gz SUMQYRLDYAXNGQ-RCCFBDPRSA-N 2 1 367.538 0.299 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)[C@@H](C)C1 ZINC001552168427 1268400660 /nfs/dbraw/zinc/40/06/60/1268400660.db2.gz YQVZKCQIUQHWIK-OTRWWLKZSA-N 2 1 364.494 0.169 20 0 FCADMP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[N@H+](C)Cc3ccccc32)nn1 ZINC001552177823 1268402951 /nfs/dbraw/zinc/40/29/51/1268402951.db2.gz HVZUARBUFFOODP-QAPCUYQASA-N 2 1 370.457 0.459 20 0 FCADMP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[N@@H+](C)Cc3ccccc32)nn1 ZINC001552177823 1268402954 /nfs/dbraw/zinc/40/29/54/1268402954.db2.gz HVZUARBUFFOODP-QAPCUYQASA-N 2 1 370.457 0.459 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552185475 1268404939 /nfs/dbraw/zinc/40/49/39/1268404939.db2.gz BCXSFPBLAUKLGQ-KBXCAEBGSA-N 2 1 351.495 0.309 20 0 FCADMP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001552185975 1268405335 /nfs/dbraw/zinc/40/53/35/1268405335.db2.gz MUCKEEDZXPWXCX-AOIWGVFYSA-N 2 1 365.522 0.163 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552200560 1268408205 /nfs/dbraw/zinc/40/82/05/1268408205.db2.gz QDQJEIYUVUECLT-OXQOHEQNSA-N 2 1 372.469 0.178 20 0 FCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CC2)cn1 ZINC001552205177 1268409559 /nfs/dbraw/zinc/40/95/59/1268409559.db2.gz ZPJJHUVXGVUWHM-PKOBYXMFSA-N 2 1 361.490 0.563 20 0 FCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CC2)cn1 ZINC001552205177 1268409562 /nfs/dbraw/zinc/40/95/62/1268409562.db2.gz ZPJJHUVXGVUWHM-PKOBYXMFSA-N 2 1 361.490 0.563 20 0 FCADMP C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552208866 1268410364 /nfs/dbraw/zinc/41/03/64/1268410364.db2.gz WVWFWJRPBCWNJF-GVDBMIGSSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552208242 1268410425 /nfs/dbraw/zinc/41/04/25/1268410425.db2.gz BEHKZJQPKLLYIW-OBRKIGFESA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552208242 1268410429 /nfs/dbraw/zinc/41/04/29/1268410429.db2.gz BEHKZJQPKLLYIW-OBRKIGFESA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552211476 1268411099 /nfs/dbraw/zinc/41/10/99/1268411099.db2.gz KCLPWASYAGQLIR-VJDWVQAOSA-N 2 1 364.494 0.354 20 0 FCADMP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001552215768 1268412535 /nfs/dbraw/zinc/41/25/35/1268412535.db2.gz LUHZENYHFGGHRM-HZPDHXFCSA-N 2 1 361.494 0.053 20 0 FCADMP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001552215768 1268412536 /nfs/dbraw/zinc/41/25/36/1268412536.db2.gz LUHZENYHFGGHRM-HZPDHXFCSA-N 2 1 361.494 0.053 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552263781 1268426634 /nfs/dbraw/zinc/42/66/34/1268426634.db2.gz FJIXDWIPPSXMEJ-MSOLQXFVSA-N 2 1 358.486 0.564 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552263781 1268426642 /nfs/dbraw/zinc/42/66/42/1268426642.db2.gz FJIXDWIPPSXMEJ-MSOLQXFVSA-N 2 1 358.486 0.564 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)C[C@H](C)O1 ZINC001552283480 1268431631 /nfs/dbraw/zinc/43/16/31/1268431631.db2.gz STLBQZHIQPIIEJ-JZXOWHBKSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283890 1268433428 /nfs/dbraw/zinc/43/34/28/1268433428.db2.gz VIOWFZLBOSEXPL-HNAWSFBYSA-N 2 1 365.518 0.960 20 0 FCADMP Nc1ccc(N[C@H]2CCCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)c[nH+]1 ZINC001552286028 1268433442 /nfs/dbraw/zinc/43/34/42/1268433442.db2.gz ZXUFSWSFNNQADW-ZFWWWQNUSA-N 2 1 370.461 0.897 20 0 FCADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C[C@@H]2C1 ZINC001552337684 1268444829 /nfs/dbraw/zinc/44/48/29/1268444829.db2.gz GEJPVIJHAXPXTB-QSJFSLAZSA-N 2 1 361.494 0.814 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552353866 1268448322 /nfs/dbraw/zinc/44/83/22/1268448322.db2.gz ZMUGKPLMTXYBDP-IRXDYDNUSA-N 2 1 366.506 0.555 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421430 1268459960 /nfs/dbraw/zinc/45/99/60/1268459960.db2.gz FHNAULKGIWHYEX-ZWKOTPCHSA-N 2 1 352.523 0.630 20 0 FCADMP C(Cn1nnnc1N1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC001340234402 1268480510 /nfs/dbraw/zinc/48/05/10/1268480510.db2.gz QYTSXPOJLBSBGL-UHFFFAOYSA-N 2 1 363.510 0.850 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001552603496 1268486086 /nfs/dbraw/zinc/48/60/86/1268486086.db2.gz HPUDWDFNPXJENY-TWMKSMIVSA-N 2 1 363.510 0.895 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC[N@@H+]1CCOC ZINC001552696893 1268523568 /nfs/dbraw/zinc/52/35/68/1268523568.db2.gz KUNHMNQHUFEYFF-BFYDXBDKSA-N 2 1 364.494 0.903 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC[N@H+]1CCOC ZINC001552696893 1268523572 /nfs/dbraw/zinc/52/35/72/1268523572.db2.gz KUNHMNQHUFEYFF-BFYDXBDKSA-N 2 1 364.494 0.903 20 0 FCADMP C[C@@H](CNC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706578 1268525333 /nfs/dbraw/zinc/52/53/33/1268525333.db2.gz NKUCECZIMYDJON-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](CNC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706578 1268525339 /nfs/dbraw/zinc/52/53/39/1268525339.db2.gz NKUCECZIMYDJON-RDJZCZTQSA-N 2 1 363.506 0.837 20 0 FCADMP CCC1([NH+](C)C)CCN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552711970 1268530423 /nfs/dbraw/zinc/53/04/23/1268530423.db2.gz MERTZEKBFNMEJG-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP CCC1([NH+](C)C)CCN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001552711970 1268530430 /nfs/dbraw/zinc/53/04/30/1268530430.db2.gz MERTZEKBFNMEJG-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H](O)C2 ZINC001552996208 1268575486 /nfs/dbraw/zinc/57/54/86/1268575486.db2.gz GGPCYSCWHFRSKU-GJGATLCTSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H](O)C2 ZINC001552996208 1268575492 /nfs/dbraw/zinc/57/54/92/1268575492.db2.gz GGPCYSCWHFRSKU-GJGATLCTSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H](O)C2 ZINC001552996208 1268575496 /nfs/dbraw/zinc/57/54/96/1268575496.db2.gz GGPCYSCWHFRSKU-GJGATLCTSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H](O)C2 ZINC001552996209 1268575765 /nfs/dbraw/zinc/57/57/65/1268575765.db2.gz GGPCYSCWHFRSKU-OREBXVKISA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H](O)C2 ZINC001552996209 1268575767 /nfs/dbraw/zinc/57/57/67/1268575767.db2.gz GGPCYSCWHFRSKU-OREBXVKISA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H](O)C2 ZINC001552996209 1268575771 /nfs/dbraw/zinc/57/57/71/1268575771.db2.gz GGPCYSCWHFRSKU-OREBXVKISA-N 2 1 367.538 0.011 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553370155 1268638491 /nfs/dbraw/zinc/63/84/91/1268638491.db2.gz OYNBFPLMLQHXEE-PXNSSMCTSA-N 2 1 356.470 0.512 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553370155 1268638501 /nfs/dbraw/zinc/63/85/01/1268638501.db2.gz OYNBFPLMLQHXEE-PXNSSMCTSA-N 2 1 356.470 0.512 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368422 1268639109 /nfs/dbraw/zinc/63/91/09/1268639109.db2.gz GSMLDZOJIHQKEZ-XLIONFOSSA-N 2 1 364.534 0.679 20 0 FCADMP CN(C)C(=O)COc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c1 ZINC001553389576 1268642747 /nfs/dbraw/zinc/64/27/47/1268642747.db2.gz MYFSQNRHPARKHK-UZLBHIALSA-N 2 1 374.485 0.311 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405050 1268645509 /nfs/dbraw/zinc/64/55/09/1268645509.db2.gz CVAPQVPJHCWVRT-GBESFXJTSA-N 2 1 358.486 0.570 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553434541 1268650552 /nfs/dbraw/zinc/65/05/52/1268650552.db2.gz LRRJOJSYUYKRIN-OAHLLOKOSA-N 2 1 351.495 0.500 20 0 FCADMP CCc1nc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)no1 ZINC001553449908 1268651202 /nfs/dbraw/zinc/65/12/02/1268651202.db2.gz SETPMVXGWVUOGI-GASCZTMLSA-N 2 1 362.478 0.785 20 0 FCADMP O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001553459302 1268654332 /nfs/dbraw/zinc/65/43/32/1268654332.db2.gz CUUXBLOVWGVYQG-ZACQAIPSSA-N 2 1 366.506 0.698 20 0 FCADMP C[C@@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001340931167 1268714948 /nfs/dbraw/zinc/71/49/48/1268714948.db2.gz WVIOSFUDVLEGIX-BGTYHANMSA-N 2 1 351.491 0.998 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](n3ccnn3)[C@@H]([NH+](C)C)C2)cnn1-c1cc[nH+]cc1 ZINC001553829543 1268722691 /nfs/dbraw/zinc/72/26/91/1268722691.db2.gz LWYUTHRRSXGKJG-DLBZAZTESA-N 2 1 366.429 0.795 20 0 FCADMP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)CC2)CC1 ZINC001341394477 1268973054 /nfs/dbraw/zinc/97/30/54/1268973054.db2.gz YUXGVPMSTRXUHC-OFLPRAFFSA-N 2 1 350.507 0.966 20 0 FCADMP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)CC2)CC1 ZINC001341394477 1268973060 /nfs/dbraw/zinc/97/30/60/1268973060.db2.gz YUXGVPMSTRXUHC-OFLPRAFFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)cc2C[NH2+]1 ZINC001341601095 1269104053 /nfs/dbraw/zinc/10/40/53/1269104053.db2.gz UULNLESYTZEPEU-CYBMUJFWSA-N 2 1 362.478 0.047 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CCc3nc[nH]c3C23CC[NH2+]CC3)cn1 ZINC001342466352 1269481963 /nfs/dbraw/zinc/48/19/63/1269481963.db2.gz ATRREHMJEZCGNH-UHFFFAOYSA-N 2 1 357.462 0.445 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001565779353 1269492923 /nfs/dbraw/zinc/49/29/23/1269492923.db2.gz FARPFLXMEDQBLM-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925184 1269520816 /nfs/dbraw/zinc/52/08/16/1269520816.db2.gz WNUACOOGKVBALM-FHLIZLRMSA-N 2 1 363.506 0.823 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925185 1269520968 /nfs/dbraw/zinc/52/09/68/1269520968.db2.gz WNUACOOGKVBALM-JCGIZDLHSA-N 2 1 363.506 0.823 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001565974507 1269536710 /nfs/dbraw/zinc/53/67/10/1269536710.db2.gz KNCBDWGUSSCGRH-PBHICJAKSA-N 2 1 370.457 0.844 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036089 1269742327 /nfs/dbraw/zinc/74/23/27/1269742327.db2.gz CDSBDJKADROFNE-KSSFIOAISA-N 2 1 372.469 0.922 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001569875979 1269813143 /nfs/dbraw/zinc/81/31/43/1269813143.db2.gz WXKKWRWJJBDHMP-WCXIOVBPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001569875979 1269813151 /nfs/dbraw/zinc/81/31/51/1269813151.db2.gz WXKKWRWJJBDHMP-WCXIOVBPSA-N 2 1 364.534 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001569875979 1269813160 /nfs/dbraw/zinc/81/31/60/1269813160.db2.gz WXKKWRWJJBDHMP-WCXIOVBPSA-N 2 1 364.534 0.879 20 0 FCADMP O=C(N1CCNCC1)N1CCN(C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC001580584213 1278525426 /nfs/dbraw/zinc/52/54/26/1278525426.db2.gz XERMUYIKHFNAMQ-MRXNPFEDSA-N 2 1 352.479 0.705 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001573006262 1270490079 /nfs/dbraw/zinc/49/00/79/1270490079.db2.gz XAAJHWVHPUCTCD-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001573006262 1270490083 /nfs/dbraw/zinc/49/00/83/1270490083.db2.gz XAAJHWVHPUCTCD-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001573006262 1270490086 /nfs/dbraw/zinc/49/00/86/1270490086.db2.gz XAAJHWVHPUCTCD-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580607784 1278567580 /nfs/dbraw/zinc/56/75/80/1278567580.db2.gz AOIAWXRNMRGQLQ-CABCVRRESA-N 2 1 353.532 0.967 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001573240191 1270704874 /nfs/dbraw/zinc/70/48/74/1270704874.db2.gz OFGCIVSKTLVHGV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001573240191 1270704883 /nfs/dbraw/zinc/70/48/83/1270704883.db2.gz OFGCIVSKTLVHGV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001573240191 1270704889 /nfs/dbraw/zinc/70/48/89/1270704889.db2.gz OFGCIVSKTLVHGV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001573240191 1270704895 /nfs/dbraw/zinc/70/48/95/1270704895.db2.gz OFGCIVSKTLVHGV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(NC[C@]1(O)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001580635365 1278596272 /nfs/dbraw/zinc/59/62/72/1278596272.db2.gz NLXGMUGCIDUZEG-RDJZCZTQSA-N 2 1 353.413 0.984 20 0 FCADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033303 1271017244 /nfs/dbraw/zinc/01/72/44/1271017244.db2.gz OYOGYCCANAOLNP-OAHLLOKOSA-N 2 1 360.466 0.577 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574252450 1271120996 /nfs/dbraw/zinc/12/09/96/1271120996.db2.gz HTHANJNIIXADNP-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574260526 1271131122 /nfs/dbraw/zinc/13/11/22/1271131122.db2.gz KZTZNYRTIZWBBZ-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574260526 1271131127 /nfs/dbraw/zinc/13/11/27/1271131127.db2.gz KZTZNYRTIZWBBZ-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574260526 1271131130 /nfs/dbraw/zinc/13/11/30/1271131130.db2.gz KZTZNYRTIZWBBZ-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574261254 1271133923 /nfs/dbraw/zinc/13/39/23/1271133923.db2.gz HEGTYVUWWGRASB-OAHLLOKOSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261659 1271136083 /nfs/dbraw/zinc/13/60/83/1271136083.db2.gz KREMLUGTYBPRKG-ZFWWWQNUSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574277663 1271154408 /nfs/dbraw/zinc/15/44/08/1271154408.db2.gz TWHRBYVEGMFGNM-CQSZACIVSA-N 2 1 372.477 0.887 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594740 1271394024 /nfs/dbraw/zinc/39/40/24/1271394024.db2.gz AQSDMHOZGAXBLN-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594740 1271394029 /nfs/dbraw/zinc/39/40/29/1271394029.db2.gz AQSDMHOZGAXBLN-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574870883 1271621908 /nfs/dbraw/zinc/62/19/08/1271621908.db2.gz DYDRXZPWFUYXAM-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877481 1271637818 /nfs/dbraw/zinc/63/78/18/1271637818.db2.gz SAZSHMPUTOILNI-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877481 1271637824 /nfs/dbraw/zinc/63/78/24/1271637824.db2.gz SAZSHMPUTOILNI-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877481 1271637829 /nfs/dbraw/zinc/63/78/29/1271637829.db2.gz SAZSHMPUTOILNI-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877481 1271637837 /nfs/dbraw/zinc/63/78/37/1271637837.db2.gz SAZSHMPUTOILNI-VXGBXAGGSA-N 2 1 363.491 0.816 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC23C[NH2+]C3)CC1 ZINC001575196296 1271781244 /nfs/dbraw/zinc/78/12/44/1271781244.db2.gz SIZNWPREGVHWBV-AWEZNQCLSA-N 2 1 352.479 0.655 20 0 FCADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001575214216 1271795170 /nfs/dbraw/zinc/79/51/70/1271795170.db2.gz CJKLGAIDLWBMAT-DZGCQCFKSA-N 2 1 352.479 0.796 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328779 1271941771 /nfs/dbraw/zinc/94/17/71/1271941771.db2.gz VKKLBMXBCQAJGH-SOLBZPMBSA-N 2 1 360.506 0.858 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328779 1271941779 /nfs/dbraw/zinc/94/17/79/1271941779.db2.gz VKKLBMXBCQAJGH-SOLBZPMBSA-N 2 1 360.506 0.858 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328779 1271941790 /nfs/dbraw/zinc/94/17/90/1271941790.db2.gz VKKLBMXBCQAJGH-SOLBZPMBSA-N 2 1 360.506 0.858 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420453 1272079093 /nfs/dbraw/zinc/07/90/93/1272079093.db2.gz LBTJODRFFVRTQC-IRXDYDNUSA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420453 1272079105 /nfs/dbraw/zinc/07/91/05/1272079105.db2.gz LBTJODRFFVRTQC-IRXDYDNUSA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420453 1272079114 /nfs/dbraw/zinc/07/91/14/1272079114.db2.gz LBTJODRFFVRTQC-IRXDYDNUSA-N 2 1 364.494 0.427 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001580676508 1278696687 /nfs/dbraw/zinc/69/66/87/1278696687.db2.gz VVGIIAZCTAGSHU-SOLBZPMBSA-N 2 1 354.495 0.291 20 0 FCADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575983162 1272644210 /nfs/dbraw/zinc/64/42/10/1272644210.db2.gz NCJZNGPDJSFWLM-QWHCGFSZSA-N 2 1 358.450 0.687 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH3+])CC1 ZINC001575998937 1272678062 /nfs/dbraw/zinc/67/80/62/1272678062.db2.gz SGMOGAWYOREKBC-LSDHHAIUSA-N 2 1 363.510 0.745 20 0 FCADMP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2)[NH+]1CCN(c2ccccc2)CC1 ZINC001576028630 1272734064 /nfs/dbraw/zinc/73/40/64/1272734064.db2.gz FNZKSPKGXUCQGI-LVCYWYKZSA-N 2 1 372.513 0.939 20 0 FCADMP CC1(C)C[N@H+](CCn2c(C3CC3)nnc2N2CCO[C@H](C[NH3+])C2)CCO1 ZINC001576458141 1273291005 /nfs/dbraw/zinc/29/10/05/1273291005.db2.gz YNAHTWYUWRDRPC-OAHLLOKOSA-N 2 1 364.494 0.430 20 0 FCADMP CC1(C)C[N@@H+](CCn2c(C3CC3)nnc2N2CCO[C@H](C[NH3+])C2)CCO1 ZINC001576458141 1273291016 /nfs/dbraw/zinc/29/10/16/1273291016.db2.gz YNAHTWYUWRDRPC-OAHLLOKOSA-N 2 1 364.494 0.430 20 0 FCADMP CCOCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001576583117 1273461856 /nfs/dbraw/zinc/46/18/56/1273461856.db2.gz OCFZQYDOJROFAY-QGZVFWFLSA-N 2 1 366.510 0.974 20 0 FCADMP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1CC([NH2+]CCc2c[nH]nn2)C1 ZINC001576711694 1273581881 /nfs/dbraw/zinc/58/18/81/1273581881.db2.gz ICDQEUXVAKXNNL-UHFFFAOYSA-N 2 1 364.494 0.285 20 0 FCADMP CN(C[C@H](O)C[NH2+]CCc1c[nH]nn1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001576747288 1273618021 /nfs/dbraw/zinc/61/80/21/1273618021.db2.gz KDOSDZSYZZCCGW-MRXNPFEDSA-N 2 1 366.510 0.268 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1)CC(C)(C)C ZINC001576763128 1273638403 /nfs/dbraw/zinc/63/84/03/1273638403.db2.gz ZYMWUVACBVORSR-HNNXBMFYSA-N 2 1 364.494 0.285 20 0 FCADMP CN(CC(C)(C)C[NH2+]CCc1cn[nH]n1)C(=O)CC[NH+]1CCOCC1 ZINC001576764604 1273640861 /nfs/dbraw/zinc/64/08/61/1273640861.db2.gz OPWWMKNEYKWYLR-UHFFFAOYSA-N 2 1 352.483 0.144 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794281 1273695593 /nfs/dbraw/zinc/69/55/93/1273695593.db2.gz DRANWKAQOAIHBF-GJZGRUSLSA-N 2 1 357.462 0.803 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576794283 1273695892 /nfs/dbraw/zinc/69/58/92/1273695892.db2.gz DRANWKAQOAIHBF-LSDHHAIUSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1[NH3+] ZINC001576830282 1273755145 /nfs/dbraw/zinc/75/51/45/1273755145.db2.gz FOEVUGCTVPMMGU-BSXFFOKHSA-N 2 1 364.494 0.370 20 0 FCADMP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001576839704 1273776007 /nfs/dbraw/zinc/77/60/07/1273776007.db2.gz UBLILBYDOLZBKD-HOTGVXAUSA-N 2 1 350.467 0.386 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849503 1273797617 /nfs/dbraw/zinc/79/76/17/1273797617.db2.gz GJOUMQPMLHRKJB-GJZGRUSLSA-N 2 1 361.494 0.536 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849502 1273799443 /nfs/dbraw/zinc/79/94/43/1273799443.db2.gz GJOUMQPMLHRKJB-CABCVRRESA-N 2 1 361.494 0.536 20 0 FCADMP O=C(NCc1cn(C2C[NH2+]C2)nn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001580727692 1278817210 /nfs/dbraw/zinc/81/72/10/1278817210.db2.gz YRSOYUMVBRNTAW-HNNXBMFYSA-N 2 1 355.446 0.496 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3cn[nH]n3)C2)C1 ZINC001576874965 1273851810 /nfs/dbraw/zinc/85/18/10/1273851810.db2.gz AAICBTNTXGDCTB-GJYPPUQNSA-N 2 1 360.506 0.907 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3c[nH]nn3)C2)C1 ZINC001576874965 1273851818 /nfs/dbraw/zinc/85/18/18/1273851818.db2.gz AAICBTNTXGDCTB-GJYPPUQNSA-N 2 1 360.506 0.907 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3c[nH]nn3)C2)C1 ZINC001576874965 1273851825 /nfs/dbraw/zinc/85/18/25/1273851825.db2.gz AAICBTNTXGDCTB-GJYPPUQNSA-N 2 1 360.506 0.907 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@@H+](CCc3c[nH]nn3)C2)CC1 ZINC001576884742 1273874923 /nfs/dbraw/zinc/87/49/23/1273874923.db2.gz ZCMFTPCOOHYUEE-HNNXBMFYSA-N 2 1 350.467 0.039 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@H+](CCc3cn[nH]n3)C2)CC1 ZINC001576884742 1273874933 /nfs/dbraw/zinc/87/49/33/1273874933.db2.gz ZCMFTPCOOHYUEE-HNNXBMFYSA-N 2 1 350.467 0.039 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@@H+](CCc3cn[nH]n3)C2)CC1 ZINC001576884742 1273874938 /nfs/dbraw/zinc/87/49/38/1273874938.db2.gz ZCMFTPCOOHYUEE-HNNXBMFYSA-N 2 1 350.467 0.039 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001576995016 1274029327 /nfs/dbraw/zinc/02/93/27/1274029327.db2.gz HTSDZKDOXMQOTQ-ZQDZILKHSA-N 2 1 363.510 0.525 20 0 FCADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1([NH3+])COC1 ZINC001577026563 1274082084 /nfs/dbraw/zinc/08/20/84/1274082084.db2.gz GACUWWIHRMIUIG-HUUCEWRRSA-N 2 1 366.510 0.676 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCOCC1 ZINC001577068442 1274130103 /nfs/dbraw/zinc/13/01/03/1274130103.db2.gz GLQVSTALZSPYKS-AEFFLSMTSA-N 2 1 356.511 0.619 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001577142363 1274193172 /nfs/dbraw/zinc/19/31/72/1274193172.db2.gz ZPVNGNAANUOKCC-RDTXWAMCSA-N 2 1 360.506 0.906 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001577541717 1274480833 /nfs/dbraw/zinc/48/08/33/1274480833.db2.gz CWAXAWXKUPVLLU-SFHVURJKSA-N 2 1 351.495 0.372 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577550912 1274490779 /nfs/dbraw/zinc/49/07/79/1274490779.db2.gz OMICRKCZXHANQN-WFASDCNBSA-N 2 1 358.450 0.284 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577553796 1274495456 /nfs/dbraw/zinc/49/54/56/1274495456.db2.gz IYOHRCWZWGKOCJ-ZFWWWQNUSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001577553794 1274495606 /nfs/dbraw/zinc/49/56/06/1274495606.db2.gz IYOHRCWZWGKOCJ-HIFRSBDPSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577554015 1274495893 /nfs/dbraw/zinc/49/58/93/1274495893.db2.gz NWRSUJKQCKUXLQ-UHFFFAOYSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577556647 1274497975 /nfs/dbraw/zinc/49/79/75/1274497975.db2.gz DZLHPOSUZIEWEN-CYBMUJFWSA-N 2 1 358.450 0.428 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558944 1274504606 /nfs/dbraw/zinc/50/46/06/1274504606.db2.gz OLMIAONZZGJMHD-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577564894 1274520066 /nfs/dbraw/zinc/52/00/66/1274520066.db2.gz CGYFXOOOHQIWAB-WKILWMFISA-N 2 1 357.462 0.945 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665207 1274683642 /nfs/dbraw/zinc/68/36/42/1274683642.db2.gz NHPJXTFTBBYFDZ-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668160 1274688825 /nfs/dbraw/zinc/68/88/25/1274688825.db2.gz IWRRZBURPUELII-SWLSCSKDSA-N 2 1 358.450 0.475 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577670458 1274696469 /nfs/dbraw/zinc/69/64/69/1274696469.db2.gz ULRNQGOLGYBJSC-INIZCTEOSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672946 1274703946 /nfs/dbraw/zinc/70/39/46/1274703946.db2.gz DJMPQGDWDCWPSO-SWLSCSKDSA-N 2 1 358.450 0.475 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC001577731436 1274807305 /nfs/dbraw/zinc/80/73/05/1274807305.db2.gz QECZXCUFISHGPH-OAHLLOKOSA-N 2 1 365.526 0.945 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[NH2+][C@@H](C)C1)C(C)C ZINC001577731452 1274807877 /nfs/dbraw/zinc/80/78/77/1274807877.db2.gz QVLUGNIEUDTTCI-HNNXBMFYSA-N 2 1 365.526 0.945 20 0 FCADMP CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH2+]CC2)CC1 ZINC001577775479 1274866780 /nfs/dbraw/zinc/86/67/80/1274866780.db2.gz HFJYVOBXTRBBCJ-KRWDZBQOSA-N 2 1 363.554 0.912 20 0 FCADMP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC001577781343 1274875851 /nfs/dbraw/zinc/87/58/51/1274875851.db2.gz MTDJHVKHQGJKOT-GOEBONIOSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852153 1274991548 /nfs/dbraw/zinc/99/15/48/1274991548.db2.gz KVZHEJYTKXNRQU-AWEZNQCLSA-N 2 1 372.477 0.676 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577851848 1274994452 /nfs/dbraw/zinc/99/44/52/1274994452.db2.gz DBZAFIFEOARHMD-CHWSQXEVSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855834 1275009052 /nfs/dbraw/zinc/00/90/52/1275009052.db2.gz RDKZZKJSMKZVMF-CQSZACIVSA-N 2 1 372.477 0.676 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577860256 1275021807 /nfs/dbraw/zinc/02/18/07/1275021807.db2.gz UVVSWOWKSROJBC-SFHVURJKSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863358 1275035494 /nfs/dbraw/zinc/03/54/94/1275035494.db2.gz VCZABYVEWCTIMQ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863358 1275035500 /nfs/dbraw/zinc/03/55/00/1275035500.db2.gz VCZABYVEWCTIMQ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577863358 1275035504 /nfs/dbraw/zinc/03/55/04/1275035504.db2.gz VCZABYVEWCTIMQ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577869482 1275052398 /nfs/dbraw/zinc/05/23/98/1275052398.db2.gz FBQIXHIYGJBUDG-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CC[NH2+]CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577869033 1275053700 /nfs/dbraw/zinc/05/37/00/1275053700.db2.gz NZNMYRQEDZFHHS-HNNXBMFYSA-N 2 1 352.483 0.160 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577869831 1275055117 /nfs/dbraw/zinc/05/51/17/1275055117.db2.gz YZNYHTSRAMPYMJ-HIFRSBDPSA-N 2 1 372.477 0.995 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577871813 1275060602 /nfs/dbraw/zinc/06/06/02/1275060602.db2.gz PFFHOQMIZHFOQT-VIKVFOODSA-N 2 1 356.434 0.154 20 0 FCADMP CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577957508 1275180508 /nfs/dbraw/zinc/18/05/08/1275180508.db2.gz GYCGMMILZFLLQZ-ZDUSSCGKSA-N 2 1 358.450 0.546 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@@H](C)C1 ZINC001578108081 1275410820 /nfs/dbraw/zinc/41/08/20/1275410820.db2.gz NVBJXFFNXJZZGJ-HOTGVXAUSA-N 2 1 353.507 0.744 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001578110073 1275412035 /nfs/dbraw/zinc/41/20/35/1275412035.db2.gz URUZEHCPJZZVSH-UHFFFAOYSA-N 2 1 372.477 0.737 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(CC(C)C)n2CC2C[NH2+]C2)CC1 ZINC001578115806 1275418796 /nfs/dbraw/zinc/41/87/96/1275418796.db2.gz YHWKWKBCPFULLA-UHFFFAOYSA-N 2 1 350.511 0.855 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220017 1275515524 /nfs/dbraw/zinc/51/55/24/1275515524.db2.gz VANULQQQXPNNRB-XJKSGUPXSA-N 2 1 370.461 0.571 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219910 1275516568 /nfs/dbraw/zinc/51/65/68/1275516568.db2.gz SMJNNFXZTAOFBU-CZUORRHYSA-N 2 1 372.477 0.865 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578312462 1275650299 /nfs/dbraw/zinc/65/02/99/1275650299.db2.gz VRKGDPLHPMIQQK-CVEARBPZSA-N 2 1 350.511 0.855 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001578324024 1275667833 /nfs/dbraw/zinc/66/78/33/1275667833.db2.gz CZQSQWXWSSVKRS-CVEARBPZSA-N 2 1 350.511 0.876 20 0 FCADMP CCc1nnc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001578331256 1275678501 /nfs/dbraw/zinc/67/85/01/1275678501.db2.gz QNYDZOPDAVFOAF-YESZJQIVSA-N 2 1 362.522 0.997 20 0 FCADMP CN(C)C(=O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001578401514 1275774773 /nfs/dbraw/zinc/77/47/73/1275774773.db2.gz LWYXPCGNSMSLIR-GJZGRUSLSA-N 2 1 361.494 0.465 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001578444894 1275832845 /nfs/dbraw/zinc/83/28/45/1275832845.db2.gz AZBSMZCAQLACJE-GOSISDBHSA-N 2 1 358.442 0.200 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578446630 1275835241 /nfs/dbraw/zinc/83/52/41/1275835241.db2.gz DGYGVEMLVZRGAK-HEHGZKQESA-N 2 1 372.477 0.721 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCN2CC[NH2+]CC2)C1 ZINC001578536522 1275964503 /nfs/dbraw/zinc/96/45/03/1275964503.db2.gz XSVYXJHKRWCTOB-IBGZPJMESA-N 2 1 359.518 0.214 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCN2CC[NH2+]CC2)C1 ZINC001578536522 1275964510 /nfs/dbraw/zinc/96/45/10/1275964510.db2.gz XSVYXJHKRWCTOB-IBGZPJMESA-N 2 1 359.518 0.214 20 0 FCADMP C[NH2+]CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578726576 1276201635 /nfs/dbraw/zinc/20/16/35/1276201635.db2.gz FQNJXMZHSDYQJE-GJZGRUSLSA-N 2 1 350.467 0.260 20 0 FCADMP C[NH2+]CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578726576 1276201638 /nfs/dbraw/zinc/20/16/38/1276201638.db2.gz FQNJXMZHSDYQJE-GJZGRUSLSA-N 2 1 350.467 0.260 20 0 FCADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001578787149 1276267694 /nfs/dbraw/zinc/26/76/94/1276267694.db2.gz AFBZUIFZVXMTAO-JKSUJKDBSA-N 2 1 352.479 0.609 20 0 FCADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578878603 1276406512 /nfs/dbraw/zinc/40/65/12/1276406512.db2.gz SAEOKXYJNTUCFC-MRXNPFEDSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578970411 1276513307 /nfs/dbraw/zinc/51/33/07/1276513307.db2.gz ALOLXIWEDOESKB-HNNXBMFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001578971272 1276516405 /nfs/dbraw/zinc/51/64/05/1276516405.db2.gz AFQQGVVGDNUMMN-UHFFFAOYSA-N 2 1 370.461 0.689 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001578975991 1276526806 /nfs/dbraw/zinc/52/68/06/1276526806.db2.gz MTAMOLILYJSBPT-HOTGVXAUSA-N 2 1 355.446 0.604 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001578975991 1276526808 /nfs/dbraw/zinc/52/68/08/1276526808.db2.gz MTAMOLILYJSBPT-HOTGVXAUSA-N 2 1 355.446 0.604 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578976806 1276529598 /nfs/dbraw/zinc/52/95/98/1276529598.db2.gz FXOXOOGIXQWTNF-UKRRQHHQSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578979107 1276539479 /nfs/dbraw/zinc/53/94/79/1276539479.db2.gz VRVUAGIKGMXCJW-CQSZACIVSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001578979107 1276539480 /nfs/dbraw/zinc/53/94/80/1276539480.db2.gz VRVUAGIKGMXCJW-CQSZACIVSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001578983506 1276547287 /nfs/dbraw/zinc/54/72/87/1276547287.db2.gz LDLLEAAGIAUJQT-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001578983506 1276547290 /nfs/dbraw/zinc/54/72/90/1276547290.db2.gz LDLLEAAGIAUJQT-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578987753 1276557177 /nfs/dbraw/zinc/55/71/77/1276557177.db2.gz QFNISGOVRHNTKR-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578987753 1276557181 /nfs/dbraw/zinc/55/71/81/1276557181.db2.gz QFNISGOVRHNTKR-UHFFFAOYSA-N 2 1 351.480 0.818 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001578988245 1276561889 /nfs/dbraw/zinc/56/18/89/1276561889.db2.gz SMXGXCXEQYBGIM-HALDLXJZSA-N 2 1 373.436 0.504 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001579004802 1276574935 /nfs/dbraw/zinc/57/49/35/1276574935.db2.gz UAFKMXDINONKRM-UHFFFAOYSA-N 2 1 360.466 0.532 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579003728 1276575463 /nfs/dbraw/zinc/57/54/63/1276575463.db2.gz DHYIKOJUHOSUEY-CYBMUJFWSA-N 2 1 370.461 0.428 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579014946 1276589253 /nfs/dbraw/zinc/58/92/53/1276589253.db2.gz UUSZGGRFPJRWFN-JKSUJKDBSA-N 2 1 366.510 0.678 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCOCC1 ZINC001579014838 1276590417 /nfs/dbraw/zinc/59/04/17/1276590417.db2.gz SMVVZJYPUIYNBF-GASCZTMLSA-N 2 1 352.483 0.288 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC001579021265 1276600042 /nfs/dbraw/zinc/60/00/42/1276600042.db2.gz LJDQCBXQSLYUOC-GJZGRUSLSA-N 2 1 359.478 0.702 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001579022228 1276600514 /nfs/dbraw/zinc/60/05/14/1276600514.db2.gz USCROJRZWLPDLO-HNNXBMFYSA-N 2 1 361.494 0.647 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001579022200 1276600725 /nfs/dbraw/zinc/60/07/25/1276600725.db2.gz TZDXUTNIUVWKJG-OWCLPIDISA-N 2 1 366.510 0.881 20 0 FCADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579027820 1276611039 /nfs/dbraw/zinc/61/10/39/1276611039.db2.gz QHJSQJKOFHTDGL-VKJFTORMSA-N 2 1 364.494 0.288 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCC[NH2+]C2)CC1 ZINC001579038523 1276622393 /nfs/dbraw/zinc/62/23/93/1276622393.db2.gz HVFXULMXMBFJPC-KRWDZBQOSA-N 2 1 362.522 0.999 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH3+])C[C@H]1C ZINC001579038486 1276623402 /nfs/dbraw/zinc/62/34/02/1276623402.db2.gz GOAQXHMVZPYYEP-LSDHHAIUSA-N 2 1 374.493 0.487 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC[NH2+]C2CC2)CC1 ZINC001579039598 1276626840 /nfs/dbraw/zinc/62/68/40/1276626840.db2.gz WBVBFODKDDFUTG-HNNXBMFYSA-N 2 1 364.494 0.302 20 0 FCADMP CO[C@@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+](C)C(C)C)C[C@@H]1OC ZINC001579129485 1276819492 /nfs/dbraw/zinc/81/94/92/1276819492.db2.gz QJYAMCITTXGBMF-HRCADAONSA-N 2 1 366.510 0.893 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579247906 1277047424 /nfs/dbraw/zinc/04/74/24/1277047424.db2.gz LCXLOYLKFIHJMD-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579247906 1277047427 /nfs/dbraw/zinc/04/74/27/1277047427.db2.gz LCXLOYLKFIHJMD-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579247906 1277047431 /nfs/dbraw/zinc/04/74/31/1277047431.db2.gz LCXLOYLKFIHJMD-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001579256374 1277052835 /nfs/dbraw/zinc/05/28/35/1277052835.db2.gz UUZOGMDIOLERTH-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579256374 1277052855 /nfs/dbraw/zinc/05/28/55/1277052855.db2.gz UUZOGMDIOLERTH-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579256374 1277052871 /nfs/dbraw/zinc/05/28/71/1277052871.db2.gz UUZOGMDIOLERTH-DLBZAZTESA-N 2 1 369.473 0.994 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001713052618 1287262318 /nfs/dbraw/zinc/26/23/18/1287262318.db2.gz LQQFRNJOKLMPAP-GDBMZVCRSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001713052618 1287262327 /nfs/dbraw/zinc/26/23/27/1287262327.db2.gz LQQFRNJOKLMPAP-GDBMZVCRSA-N 2 1 359.536 0.684 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579322753 1277137966 /nfs/dbraw/zinc/13/79/66/1277137966.db2.gz GOVZELKWXKUOKD-CZUORRHYSA-N 2 1 370.461 0.284 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323925 1277142518 /nfs/dbraw/zinc/14/25/18/1277142518.db2.gz ZFNXDABZIJFIGY-QWHCGFSZSA-N 2 1 356.434 0.251 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323925 1277142520 /nfs/dbraw/zinc/14/25/20/1277142520.db2.gz ZFNXDABZIJFIGY-QWHCGFSZSA-N 2 1 356.434 0.251 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327428 1277154425 /nfs/dbraw/zinc/15/44/25/1277154425.db2.gz SLJMWVGWLLWYJG-STQMWFEESA-N 2 1 356.434 0.251 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327428 1277154427 /nfs/dbraw/zinc/15/44/27/1277154427.db2.gz SLJMWVGWLLWYJG-STQMWFEESA-N 2 1 356.434 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579331188 1277160737 /nfs/dbraw/zinc/16/07/37/1277160737.db2.gz AROJKIKMQBEMIL-AWEZNQCLSA-N 2 1 355.446 0.557 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331625 1277162791 /nfs/dbraw/zinc/16/27/91/1277162791.db2.gz DGHWAZNWCGJCTP-NEPJUHHUSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331625 1277162795 /nfs/dbraw/zinc/16/27/95/1277162795.db2.gz DGHWAZNWCGJCTP-NEPJUHHUSA-N 2 1 361.475 0.570 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579331625 1277162797 /nfs/dbraw/zinc/16/27/97/1277162797.db2.gz DGHWAZNWCGJCTP-NEPJUHHUSA-N 2 1 361.475 0.570 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335035 1277173096 /nfs/dbraw/zinc/17/30/96/1277173096.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335035 1277173097 /nfs/dbraw/zinc/17/30/97/1277173097.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579335035 1277173100 /nfs/dbraw/zinc/17/31/00/1277173100.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335164 1277174038 /nfs/dbraw/zinc/17/40/38/1277174038.db2.gz NLSOJRMLHURQSF-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335164 1277174041 /nfs/dbraw/zinc/17/40/41/1277174041.db2.gz NLSOJRMLHURQSF-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001579335164 1277174046 /nfs/dbraw/zinc/17/40/46/1277174046.db2.gz NLSOJRMLHURQSF-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579335682 1277176783 /nfs/dbraw/zinc/17/67/83/1277176783.db2.gz TZABJYNMWVXODY-CQSZACIVSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579335682 1277176786 /nfs/dbraw/zinc/17/67/86/1277176786.db2.gz TZABJYNMWVXODY-CQSZACIVSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339770 1277183757 /nfs/dbraw/zinc/18/37/57/1277183757.db2.gz LYJDMTSEHGKJHO-MCIONIFRSA-N 2 1 373.436 0.694 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579340255 1277184988 /nfs/dbraw/zinc/18/49/88/1277184988.db2.gz SFAZYVIFFVATNO-AWEZNQCLSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579340213 1277185977 /nfs/dbraw/zinc/18/59/77/1277185977.db2.gz QSVJXUYCSJFSDX-HNNXBMFYSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344734 1277195005 /nfs/dbraw/zinc/19/50/05/1277195005.db2.gz RFNQRFIXWWPWGJ-OLZOCXBDSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579344930 1277196791 /nfs/dbraw/zinc/19/67/91/1277196791.db2.gz IMUVCEKQZKKKFI-ZIAGYGMSSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346539 1277198368 /nfs/dbraw/zinc/19/83/68/1277198368.db2.gz RJTCDBOIQNBYQF-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346539 1277198369 /nfs/dbraw/zinc/19/83/69/1277198369.db2.gz RJTCDBOIQNBYQF-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346539 1277198371 /nfs/dbraw/zinc/19/83/71/1277198371.db2.gz RJTCDBOIQNBYQF-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353357 1277212182 /nfs/dbraw/zinc/21/21/82/1277212182.db2.gz JUVRKMWAFFEXDQ-NVXWUHKLSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353357 1277212187 /nfs/dbraw/zinc/21/21/87/1277212187.db2.gz JUVRKMWAFFEXDQ-NVXWUHKLSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353357 1277212190 /nfs/dbraw/zinc/21/21/90/1277212190.db2.gz JUVRKMWAFFEXDQ-NVXWUHKLSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353134 1277212305 /nfs/dbraw/zinc/21/23/05/1277212305.db2.gz DYAYRPFZUYQMKP-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353134 1277212306 /nfs/dbraw/zinc/21/23/06/1277212306.db2.gz DYAYRPFZUYQMKP-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579353134 1277212309 /nfs/dbraw/zinc/21/23/09/1277212309.db2.gz DYAYRPFZUYQMKP-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361589 1277238815 /nfs/dbraw/zinc/23/88/15/1277238815.db2.gz OUYPRTDVJYQESS-GDBMZVCRSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361589 1277238817 /nfs/dbraw/zinc/23/88/17/1277238817.db2.gz OUYPRTDVJYQESS-GDBMZVCRSA-N 2 1 355.446 0.651 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579361589 1277238818 /nfs/dbraw/zinc/23/88/18/1277238818.db2.gz OUYPRTDVJYQESS-GDBMZVCRSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579363130 1277241430 /nfs/dbraw/zinc/24/14/30/1277241430.db2.gz WEJFFNGFEXQNMM-IIAWOOMASA-N 2 1 373.436 0.837 20 0 FCADMP CSCC[C@H]([NH3+])CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001579378689 1277260802 /nfs/dbraw/zinc/26/08/02/1277260802.db2.gz ICVBKBUSISYFEH-HNNXBMFYSA-N 2 1 356.536 0.470 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001579407391 1277287896 /nfs/dbraw/zinc/28/78/96/1277287896.db2.gz VPQIKQWCRUQNGJ-OAGGEKHMSA-N 2 1 364.494 0.288 20 0 FCADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646674 1277714957 /nfs/dbraw/zinc/71/49/57/1277714957.db2.gz OWWHJBWLBPHHJV-ZWKOTPCHSA-N 2 1 357.502 0.994 20 0 FCADMP Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579883714 1277948852 /nfs/dbraw/zinc/94/88/52/1277948852.db2.gz YKRFZBXWNFQENE-AWEZNQCLSA-N 2 1 353.434 0.868 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC001580222543 1278045992 /nfs/dbraw/zinc/04/59/92/1278045992.db2.gz XBVSWOPULKVCAU-HOTGVXAUSA-N 2 1 353.511 0.781 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580274111 1278068597 /nfs/dbraw/zinc/06/85/97/1278068597.db2.gz LALZGBIRCIWVNV-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC001580869806 1279073278 /nfs/dbraw/zinc/07/32/78/1279073278.db2.gz JXRMZECXDAUKMC-IAGOWNOFSA-N 2 1 353.488 0.425 20 0 FCADMP Cc1cc(N2CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580955489 1279159146 /nfs/dbraw/zinc/15/91/46/1279159146.db2.gz TVNUBTLFBZLMOX-AWEZNQCLSA-N 2 1 372.477 0.947 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961622 1279165515 /nfs/dbraw/zinc/16/55/15/1279165515.db2.gz KQRQYAXZUUBRFS-ZDUSSCGKSA-N 2 1 358.450 0.605 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992796 1279196446 /nfs/dbraw/zinc/19/64/46/1279196446.db2.gz AXLRLBOMJITDGO-CVEARBPZSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996036 1279208163 /nfs/dbraw/zinc/20/81/63/1279208163.db2.gz UNWMVTHAVOYNQF-LBPRGKRZSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003897 1279220440 /nfs/dbraw/zinc/22/04/40/1279220440.db2.gz GWCBKGKYLIJSKL-CQSZACIVSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581037470 1279272955 /nfs/dbraw/zinc/27/29/55/1279272955.db2.gz CYROIPDYJJCLNE-OKILXGFUSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039305 1279278265 /nfs/dbraw/zinc/27/82/65/1279278265.db2.gz SKBUMQSFFGNHRB-JOCQHMNTSA-N 2 1 370.461 0.535 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001715226963 1287346836 /nfs/dbraw/zinc/34/68/36/1287346836.db2.gz GAMIOMFMVQNZJD-BFHYXJOUSA-N 2 1 351.499 0.610 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001715226963 1287346840 /nfs/dbraw/zinc/34/68/40/1287346840.db2.gz GAMIOMFMVQNZJD-BFHYXJOUSA-N 2 1 351.499 0.610 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001715202436 1287346904 /nfs/dbraw/zinc/34/69/04/1287346904.db2.gz UICGNGZOJLSHTM-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318342 1287353041 /nfs/dbraw/zinc/35/30/41/1287353041.db2.gz GUEWSQHYTGDXHS-KGLIPLIRSA-N 2 1 372.477 0.721 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581338060 1279714537 /nfs/dbraw/zinc/71/45/37/1279714537.db2.gz ALHJPFGBGVLFSG-GASCZTMLSA-N 2 1 366.429 0.809 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581339600 1279722413 /nfs/dbraw/zinc/72/24/13/1279722413.db2.gz IVRJTDSQOCGKNF-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001716726332 1287388567 /nfs/dbraw/zinc/38/85/67/1287388567.db2.gz GZMPSBRQIZXSSU-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001603493078 1287390634 /nfs/dbraw/zinc/39/06/34/1287390634.db2.gz DFMHVYPBSGLPBV-JHJVBQTASA-N 2 1 358.450 0.331 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581563893 1280141317 /nfs/dbraw/zinc/14/13/17/1280141317.db2.gz UOAKSLNTQHSSGI-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581564368 1280143881 /nfs/dbraw/zinc/14/38/81/1280143881.db2.gz YPYBBZUUOVVOAJ-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581565455 1280145054 /nfs/dbraw/zinc/14/50/54/1280145054.db2.gz RVOPKIRQLHSHJN-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001717319209 1287417877 /nfs/dbraw/zinc/41/78/77/1287417877.db2.gz YUODPEHXLYVOBH-GDBMZVCRSA-N 2 1 350.463 0.766 20 0 FCADMP Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001717319209 1287417882 /nfs/dbraw/zinc/41/78/82/1287417882.db2.gz YUODPEHXLYVOBH-GDBMZVCRSA-N 2 1 350.463 0.766 20 0 FCADMP Cc1nccnc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717318817 1287418415 /nfs/dbraw/zinc/41/84/15/1287418415.db2.gz KHMZQUOMLOHPJP-HZPDHXFCSA-N 2 1 361.490 0.568 20 0 FCADMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001718181776 1287470022 /nfs/dbraw/zinc/47/00/22/1287470022.db2.gz GIXPOGLZZIGZCC-ARFHVFGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589716755 1282961079 /nfs/dbraw/zinc/96/10/79/1282961079.db2.gz LTMHVSHWIOUSJV-MRXNPFEDSA-N 2 1 370.461 0.783 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589716755 1282961085 /nfs/dbraw/zinc/96/10/85/1282961085.db2.gz LTMHVSHWIOUSJV-MRXNPFEDSA-N 2 1 370.461 0.783 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)NC(=O)NCC(F)(F)F ZINC001642589419 1283027091 /nfs/dbraw/zinc/02/70/91/1283027091.db2.gz JVIVEVLIACPFOD-UHFFFAOYSA-N 2 1 367.416 0.334 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590271265 1283398667 /nfs/dbraw/zinc/39/86/67/1283398667.db2.gz YSTCJPXHDDSQEX-GWQWAINWSA-N 2 1 369.473 0.971 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001683257096 1283915301 /nfs/dbraw/zinc/91/53/01/1283915301.db2.gz BDRIIKWWZQFFRW-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001590862138 1283931741 /nfs/dbraw/zinc/93/17/41/1283931741.db2.gz CGOCOWCVJWMHKA-DZGCQCFKSA-N 2 1 370.461 0.641 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001590862138 1283931748 /nfs/dbraw/zinc/93/17/48/1283931748.db2.gz CGOCOWCVJWMHKA-DZGCQCFKSA-N 2 1 370.461 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001683482011 1284001425 /nfs/dbraw/zinc/00/14/25/1284001425.db2.gz YCISAFUHWNCBSJ-SJORKVTESA-N 2 1 368.522 0.282 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591010895 1284069406 /nfs/dbraw/zinc/06/94/06/1284069406.db2.gz MYMLKGCXNMRPHT-NVXWUHKLSA-N 2 1 369.473 0.996 20 0 FCADMP C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071265 1284132304 /nfs/dbraw/zinc/13/23/04/1284132304.db2.gz TWKRYEDLEALRNT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071265 1284132305 /nfs/dbraw/zinc/13/23/05/1284132305.db2.gz TWKRYEDLEALRNT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071265 1284132310 /nfs/dbraw/zinc/13/23/10/1284132310.db2.gz TWKRYEDLEALRNT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071265 1284132321 /nfs/dbraw/zinc/13/23/21/1284132321.db2.gz TWKRYEDLEALRNT-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001591173345 1284257522 /nfs/dbraw/zinc/25/75/22/1284257522.db2.gz SHPVENWTUBDCRZ-DOMZBBRYSA-N 2 1 370.461 0.284 20 0 FCADMP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001591173510 1284259205 /nfs/dbraw/zinc/25/92/05/1284259205.db2.gz XQDHAAJWPPWIJY-CYBMUJFWSA-N 2 1 361.425 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591175092 1284261631 /nfs/dbraw/zinc/26/16/31/1284261631.db2.gz GOOIBNLHWDDMRA-YPQKKHBXSA-N 2 1 355.446 0.580 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175408 1284265291 /nfs/dbraw/zinc/26/52/91/1284265291.db2.gz OHKSPARTJVTOSS-KBPBESRZSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591175408 1284265299 /nfs/dbraw/zinc/26/52/99/1284265299.db2.gz OHKSPARTJVTOSS-KBPBESRZSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001591179560 1284277590 /nfs/dbraw/zinc/27/75/90/1284277590.db2.gz BFPKUUUHDNNUDJ-GOSISDBHSA-N 2 1 357.462 0.492 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001591179560 1284277601 /nfs/dbraw/zinc/27/76/01/1284277601.db2.gz BFPKUUUHDNNUDJ-GOSISDBHSA-N 2 1 357.462 0.492 20 0 FCADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001591182304 1284282345 /nfs/dbraw/zinc/28/23/45/1284282345.db2.gz CHTUZMQKIUMRMK-UHFFFAOYSA-N 2 1 353.434 0.970 20 0 FCADMP C[N@@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[NH+](C)C1 ZINC001591184814 1284293831 /nfs/dbraw/zinc/29/38/31/1284293831.db2.gz PMHPVOWYDCNYDW-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[N@H+](C)C1 ZINC001591184814 1284293840 /nfs/dbraw/zinc/29/38/40/1284293840.db2.gz PMHPVOWYDCNYDW-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C[C@H]1CCC[N@@H+](C)C1 ZINC001591184814 1284293850 /nfs/dbraw/zinc/29/38/50/1284293850.db2.gz PMHPVOWYDCNYDW-LSDHHAIUSA-N 2 1 360.462 0.880 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187534 1284300698 /nfs/dbraw/zinc/30/06/98/1284300698.db2.gz YFDLOCFGRINKFH-KZSQQDEKSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591187529 1284301009 /nfs/dbraw/zinc/30/10/09/1284301009.db2.gz XXRDTLXPRRGNJT-XIRDDKMYSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001591187854 1284302070 /nfs/dbraw/zinc/30/20/70/1284302070.db2.gz ULYCETAKAWBFEW-HNNXBMFYSA-N 2 1 361.425 0.696 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591217999 1284354306 /nfs/dbraw/zinc/35/43/06/1284354306.db2.gz JRUVBYBTGJWCOQ-QGZVFWFLSA-N 2 1 369.473 0.902 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001719098857 1287723299 /nfs/dbraw/zinc/72/32/99/1287723299.db2.gz SSTSFDGGKJWMES-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001719098857 1287723306 /nfs/dbraw/zinc/72/33/06/1287723306.db2.gz SSTSFDGGKJWMES-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001719098857 1287723311 /nfs/dbraw/zinc/72/33/11/1287723311.db2.gz SSTSFDGGKJWMES-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604680144 1287726404 /nfs/dbraw/zinc/72/64/04/1287726404.db2.gz JHXAGEGIYVIIMJ-AGUYFDCRSA-N 2 1 370.461 0.829 20 0 FCADMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC001591599421 1284762679 /nfs/dbraw/zinc/76/26/79/1284762679.db2.gz JBTLQCLSJOWUAB-CQSZACIVSA-N 2 1 359.434 0.175 20 0 FCADMP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)cc1-c1nn[nH]n1 ZINC001591599774 1284763277 /nfs/dbraw/zinc/76/32/77/1284763277.db2.gz RQOKKFWVHYZBMP-UHFFFAOYSA-N 2 1 370.417 0.286 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996460 1285049826 /nfs/dbraw/zinc/04/98/26/1285049826.db2.gz NVFORVPREGUZQO-CQSZACIVSA-N 2 1 358.450 0.607 20 0 FCADMP Cc1cc(NC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592036318 1285080425 /nfs/dbraw/zinc/08/04/25/1285080425.db2.gz JQUZMCHKEABLJT-HSBZDZAISA-N 2 1 370.461 0.345 20 0 FCADMP Cc1cc(NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049517 1285094649 /nfs/dbraw/zinc/09/46/49/1285094649.db2.gz XUJRLRSOOZCJSC-CYBMUJFWSA-N 2 1 358.450 0.395 20 0 FCADMP Cc1cc(NCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049216 1285095390 /nfs/dbraw/zinc/09/53/90/1285095390.db2.gz LBLOPJGRJCTXGA-CJNGLKHVSA-N 2 1 370.461 0.537 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001604803884 1287786729 /nfs/dbraw/zinc/78/67/29/1287786729.db2.gz OSRDTQBQNZGULY-KRWDZBQOSA-N 2 1 369.473 0.995 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592746992 1285666453 /nfs/dbraw/zinc/66/64/53/1285666453.db2.gz ADSCWINPNQKVQK-GMBSWORKSA-N 2 1 367.457 0.641 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001592785885 1285709710 /nfs/dbraw/zinc/70/97/10/1285709710.db2.gz ARNRUTNFNNSZCV-WBVHZDCISA-N 2 1 367.457 0.750 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001592786189 1285711873 /nfs/dbraw/zinc/71/18/73/1285711873.db2.gz DJSMQDHPJBZJLD-HOCLYGCPSA-N 2 1 353.430 0.406 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N(C1CC1)C1CC[NH2+]CC1 ZINC001592787074 1285713851 /nfs/dbraw/zinc/71/38/51/1285713851.db2.gz RJXZMQLNMXYAJO-KRWDZBQOSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994815 1285877858 /nfs/dbraw/zinc/87/78/58/1285877858.db2.gz KQMLCPRMWGWXLM-GDBMZVCRSA-N 2 1 367.457 0.844 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994818 1285878065 /nfs/dbraw/zinc/87/80/65/1285878065.db2.gz KQMLCPRMWGWXLM-ZBFHGGJFSA-N 2 1 367.457 0.844 20 0 FCADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284583 1289050347 /nfs/dbraw/zinc/05/03/47/1289050347.db2.gz UXILANTZKMGYKJ-HOCLYGCPSA-N 2 1 360.462 0.928 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001704942276 1286325091 /nfs/dbraw/zinc/32/50/91/1286325091.db2.gz RLPQBYQJUFGRQC-DJIMGWMZSA-N 2 1 368.522 0.040 20 0 FCADMP CC[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001707163539 1286485420 /nfs/dbraw/zinc/48/54/20/1286485420.db2.gz MMKODTQNAZQGPR-PMPSAXMXSA-N 2 1 354.495 0.189 20 0 FCADMP CC[C@@H](C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1)OC ZINC001707178204 1286491632 /nfs/dbraw/zinc/49/16/32/1286491632.db2.gz IISCOMBKECACFG-VHDGCEQUSA-N 2 1 365.478 0.653 20 0 FCADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CC[NH+]3CCCC3)C2)CC1 ZINC001710287511 1287171062 /nfs/dbraw/zinc/17/10/62/1287171062.db2.gz BIUBUITYYJIJEF-GOSISDBHSA-N 2 1 361.538 0.899 20 0 FCADMP C[NH+]1CCC2(CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001604855321 1287799658 /nfs/dbraw/zinc/79/96/58/1287799658.db2.gz DBUXUFOEMBCNMH-OAHLLOKOSA-N 2 1 355.446 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001605431928 1287960549 /nfs/dbraw/zinc/96/05/49/1287960549.db2.gz PWTKTDXEBHFUEY-CZUORRHYSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001605445480 1287965019 /nfs/dbraw/zinc/96/50/19/1287965019.db2.gz RBSCLLSWIAYNGE-KBPBESRZSA-N 2 1 372.477 0.887 20 0 FCADMP Cc1cc(N(C)CCN(C)C(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688477 1288052228 /nfs/dbraw/zinc/05/22/28/1288052228.db2.gz QRAHICGRAPVGTJ-UHFFFAOYSA-N 2 1 372.477 0.949 20 0 FCADMP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605732814 1288065063 /nfs/dbraw/zinc/06/50/63/1288065063.db2.gz VRISCYYGSFDJOT-KGLIPLIRSA-N 2 1 370.461 0.347 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001606441157 1288320118 /nfs/dbraw/zinc/32/01/18/1288320118.db2.gz UKXCRRLZQJQNDD-PJODQICGSA-N 2 1 355.446 0.687 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(=O)Nc3ccon3)CCCC2)CC[N@H+]1C ZINC001732228900 1288578812 /nfs/dbraw/zinc/57/88/12/1288578812.db2.gz GTDAYQJNHXWGDB-ZIAGYGMSSA-N 2 1 363.462 0.972 20 0 FCADMP O[C@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC001607092793 1288657973 /nfs/dbraw/zinc/65/79/73/1288657973.db2.gz BWKMIRYNOUZYLU-MRXNPFEDSA-N 2 1 358.446 0.745 20 0 FCADMP O[C@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC001607092793 1288657980 /nfs/dbraw/zinc/65/79/80/1288657980.db2.gz BWKMIRYNOUZYLU-MRXNPFEDSA-N 2 1 358.446 0.745 20 0 FCADMP O[C@H](C[NH2+][C@H]1CCc2c[nH+]cn2C1)COc1ccccc1-c1nn[nH]n1 ZINC001607093970 1288658015 /nfs/dbraw/zinc/65/80/15/1288658015.db2.gz HKUGJMJQPOTXDS-GXTWGEPZSA-N 2 1 355.402 0.408 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2[NH2+]CCO)cn1 ZINC001691983180 1289356987 /nfs/dbraw/zinc/35/69/87/1289356987.db2.gz VTXVBKMWRLPIQH-RBUKOAKNSA-N 2 1 371.485 0.428 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2[NH2+]CCO)cn1 ZINC001691983180 1289356997 /nfs/dbraw/zinc/35/69/97/1289356997.db2.gz VTXVBKMWRLPIQH-RBUKOAKNSA-N 2 1 371.485 0.428 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692277706 1289440465 /nfs/dbraw/zinc/44/04/65/1289440465.db2.gz OLHKWHYSLPHMMB-OAGGEKHMSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692277706 1289440472 /nfs/dbraw/zinc/44/04/72/1289440472.db2.gz OLHKWHYSLPHMMB-OAGGEKHMSA-N 2 1 360.506 0.998 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001692280704 1289441596 /nfs/dbraw/zinc/44/15/96/1289441596.db2.gz BEWJHLQZOFXWIE-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001692289730 1289445281 /nfs/dbraw/zinc/44/52/81/1289445281.db2.gz YUHKPDKQBKNLOZ-PMPSAXMXSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001692391100 1289455905 /nfs/dbraw/zinc/45/59/05/1289455905.db2.gz RAYXUHOWOBHEEF-IKGGRYGDSA-N 2 1 365.522 0.801 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C[C@H](O)Cn1cccn1 ZINC001692391100 1289455908 /nfs/dbraw/zinc/45/59/08/1289455908.db2.gz RAYXUHOWOBHEEF-IKGGRYGDSA-N 2 1 365.522 0.801 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C[C@H](O)Cn1cccn1 ZINC001692391100 1289455911 /nfs/dbraw/zinc/45/59/11/1289455911.db2.gz RAYXUHOWOBHEEF-IKGGRYGDSA-N 2 1 365.522 0.801 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001698720670 1289533093 /nfs/dbraw/zinc/53/30/93/1289533093.db2.gz CAOMJVKVNFRDKV-OIISXLGYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001698748774 1289534996 /nfs/dbraw/zinc/53/49/96/1289534996.db2.gz PJRRZKISUNFLCT-IIAWOOMASA-N 2 1 359.536 0.493 20 0 FCADMP C[C@H](C[NH2+]CC(=O)NCc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699363376 1289551172 /nfs/dbraw/zinc/55/11/72/1289551172.db2.gz QFYTYBRJMYDBIT-CKEIUWERSA-N 2 1 364.465 0.876 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)Nc2nncs2)C2CC2)CC[N@H+]1C ZINC001699576751 1289557870 /nfs/dbraw/zinc/55/78/70/1289557870.db2.gz PCHAQJJUPDWURK-RTXFEEFZSA-N 2 1 366.491 0.301 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699751220 1289565548 /nfs/dbraw/zinc/56/55/48/1289565548.db2.gz ODWRXOXEJOALQU-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001739640198 1290281107 /nfs/dbraw/zinc/28/11/07/1290281107.db2.gz WXHKMBXUDLGFEH-SJORKVTESA-N 2 1 366.506 0.035 20 0 FCADMP Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1C(N)=O ZINC001628813716 1290556738 /nfs/dbraw/zinc/55/67/38/1290556738.db2.gz HLTJSNRGDQGWAA-HNNXBMFYSA-N 2 1 359.474 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001754864456 1290635782 /nfs/dbraw/zinc/63/57/82/1290635782.db2.gz BOJONYIPXMHOJD-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864456 1290635793 /nfs/dbraw/zinc/63/57/93/1290635793.db2.gz BOJONYIPXMHOJD-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001754864456 1290635801 /nfs/dbraw/zinc/63/58/01/1290635801.db2.gz BOJONYIPXMHOJD-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP COc1nscc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754882636 1290637157 /nfs/dbraw/zinc/63/71/57/1290637157.db2.gz LTHXWQVJWYRAHG-TZMCWYRMSA-N 2 1 356.492 0.402 20 0 FCADMP COc1nscc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001754882636 1290637168 /nfs/dbraw/zinc/63/71/68/1290637168.db2.gz LTHXWQVJWYRAHG-TZMCWYRMSA-N 2 1 356.492 0.402 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001756969918 1290673691 /nfs/dbraw/zinc/67/36/91/1290673691.db2.gz YGLXPPFORKOOTN-LUKYLMHMSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CCCC1 ZINC001756987353 1290679518 /nfs/dbraw/zinc/67/95/18/1290679518.db2.gz ULESUTYBSAUGMT-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP CN(C)C(=O)CN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001631146610 1290717406 /nfs/dbraw/zinc/71/74/06/1290717406.db2.gz VCAABIZISOERMO-MQVJKMGUSA-N 2 1 351.495 0.463 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001631146610 1290717409 /nfs/dbraw/zinc/71/74/09/1290717409.db2.gz VCAABIZISOERMO-MQVJKMGUSA-N 2 1 351.495 0.463 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001631146610 1290717415 /nfs/dbraw/zinc/71/74/15/1290717415.db2.gz VCAABIZISOERMO-MQVJKMGUSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001653845140 1291373012 /nfs/dbraw/zinc/37/30/12/1291373012.db2.gz JHVYRNLRLQLEAM-HHXXYDBFSA-N 2 1 361.486 0.441 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001657265328 1291605017 /nfs/dbraw/zinc/60/50/17/1291605017.db2.gz DLXSNTPRYUZRBX-OAHLLOKOSA-N 2 1 357.524 0.824 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C ZINC001657265328 1291605023 /nfs/dbraw/zinc/60/50/23/1291605023.db2.gz DLXSNTPRYUZRBX-OAHLLOKOSA-N 2 1 357.524 0.824 20 0 FCADMP CCCc1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001667827511 1291944590 /nfs/dbraw/zinc/94/45/90/1291944590.db2.gz TZZMOSWZYCUYBL-QLFBSQMISA-N 2 1 352.479 0.842 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001685620536 1292575273 /nfs/dbraw/zinc/57/52/73/1292575273.db2.gz ZJIDFVTUWDEJNC-RCCFBDPRSA-N 2 1 368.522 0.510 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001688875933 1294542621 /nfs/dbraw/zinc/54/26/21/1294542621.db2.gz IWLWVTNRMKZHGG-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C[NH2+]CCO ZINC001689070531 1294593438 /nfs/dbraw/zinc/59/34/38/1294593438.db2.gz CAKWJBRZZCRPJI-BFYDXBDKSA-N 2 1 350.463 0.199 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001689099948 1294617081 /nfs/dbraw/zinc/61/70/81/1294617081.db2.gz LFXZOTYWOPYJHN-ILXRZTDVSA-N 2 1 367.494 0.001 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224319 1294681542 /nfs/dbraw/zinc/68/15/42/1294681542.db2.gz HOYQVIJVWVQHMD-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224319 1294681553 /nfs/dbraw/zinc/68/15/53/1294681553.db2.gz HOYQVIJVWVQHMD-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689224319 1294681561 /nfs/dbraw/zinc/68/15/61/1294681561.db2.gz HOYQVIJVWVQHMD-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001689226045 1294682106 /nfs/dbraw/zinc/68/21/06/1294682106.db2.gz DDJGPAAJLFRPFT-SJORKVTESA-N 2 1 359.474 0.498 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001689226045 1294682112 /nfs/dbraw/zinc/68/21/12/1294682112.db2.gz DDJGPAAJLFRPFT-SJORKVTESA-N 2 1 359.474 0.498 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001689295371 1294718250 /nfs/dbraw/zinc/71/82/50/1294718250.db2.gz CJTOARJEKVGYSX-KFWWJZLASA-N 2 1 370.469 0.394 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1C[C@H](O)COCC(F)(F)F ZINC001689314585 1294738281 /nfs/dbraw/zinc/73/82/81/1294738281.db2.gz CHIAAEXRPOPJDM-AGIUHOORSA-N 2 1 355.401 0.457 20 0 FCADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC001689325265 1294751356 /nfs/dbraw/zinc/75/13/56/1294751356.db2.gz KAQPYTSKIFCMOG-QAPCUYQASA-N 2 1 361.490 0.975 20 0 FCADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC001689325265 1294751361 /nfs/dbraw/zinc/75/13/61/1294751361.db2.gz KAQPYTSKIFCMOG-QAPCUYQASA-N 2 1 361.490 0.975 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001689325437 1294752183 /nfs/dbraw/zinc/75/21/83/1294752183.db2.gz QQONDWSBOQTKIO-UXLLHSPISA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001689325437 1294752190 /nfs/dbraw/zinc/75/21/90/1294752190.db2.gz QQONDWSBOQTKIO-UXLLHSPISA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCOCC2CC2)[C@@H]1C ZINC001689336401 1294759445 /nfs/dbraw/zinc/75/94/45/1294759445.db2.gz MNASBHGYWZEFFB-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690276711 1294862198 /nfs/dbraw/zinc/86/21/98/1294862198.db2.gz NFMVNKQGGGMZAO-AIEDFZFUSA-N 2 1 367.494 0.186 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COCc3ccco3)C2)CC[N@H+]1C ZINC001690276387 1294862373 /nfs/dbraw/zinc/86/23/73/1294862373.db2.gz AWHZVDJBOPBKHD-XSDHEKCYSA-N 2 1 365.474 0.734 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001690405726 1294867368 /nfs/dbraw/zinc/86/73/68/1294867368.db2.gz OLXHYCRNLKWPRM-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001691844801 1294940992 /nfs/dbraw/zinc/94/09/92/1294940992.db2.gz XXBOXMOBMHLDCJ-ZWKOTPCHSA-N 2 1 360.502 0.999 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001691844801 1294940997 /nfs/dbraw/zinc/94/09/97/1294940997.db2.gz XXBOXMOBMHLDCJ-ZWKOTPCHSA-N 2 1 360.502 0.999 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001691844801 1294941006 /nfs/dbraw/zinc/94/10/06/1294941006.db2.gz XXBOXMOBMHLDCJ-ZWKOTPCHSA-N 2 1 360.502 0.999 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001691844801 1294941011 /nfs/dbraw/zinc/94/10/11/1294941011.db2.gz XXBOXMOBMHLDCJ-ZWKOTPCHSA-N 2 1 360.502 0.999 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(n2)N(C)CC(=O)N3)c2c1CC[NH2+]C2 ZINC001164681515 719628191 /nfs/dbraw/zinc/62/81/91/719628191.db2.gz GWMUGSSQBPLGGL-UHFFFAOYSA-N 2 1 370.461 0.537 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(n2)N(C)CC(=O)N3)c2c1CC[NH2+]C2 ZINC001164681515 719628196 /nfs/dbraw/zinc/62/81/96/719628196.db2.gz GWMUGSSQBPLGGL-UHFFFAOYSA-N 2 1 370.461 0.537 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2cccc(S(N)(=O)=O)n2)c2c1CC[NH2+]C2 ZINC001164684567 719651352 /nfs/dbraw/zinc/65/13/52/719651352.db2.gz YALFZMYJMYYACD-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2cccc(S(N)(=O)=O)n2)c2c1CC[NH2+]C2 ZINC001164684567 719651368 /nfs/dbraw/zinc/65/13/68/719651368.db2.gz YALFZMYJMYYACD-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP COC(=O)c1ncnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164680050 719651616 /nfs/dbraw/zinc/65/16/16/719651616.db2.gz CYFURQPQDLXMIN-UHFFFAOYSA-N 2 1 374.445 0.943 20 0 FCADMP COC(=O)c1ncnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164680050 719651620 /nfs/dbraw/zinc/65/16/20/719651620.db2.gz CYFURQPQDLXMIN-UHFFFAOYSA-N 2 1 374.445 0.943 20 0 FCADMP Cn1nnc2c1CCN(c1cc[nH+]c(N)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718147 720192062 /nfs/dbraw/zinc/19/20/62/720192062.db2.gz XRGLNOJWASNBQN-AWEZNQCLSA-N 2 1 358.450 0.404 20 0 FCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C[NH2+]C3)CCC2 ZINC001164814013 720217271 /nfs/dbraw/zinc/21/72/71/720217271.db2.gz QYFJLNGMQKASDO-UHFFFAOYSA-N 2 1 369.473 0.887 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C[NH2+]C3)CCC2 ZINC001164814013 720217273 /nfs/dbraw/zinc/21/72/73/720217273.db2.gz QYFJLNGMQKASDO-UHFFFAOYSA-N 2 1 369.473 0.887 20 0 FCADMP Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164738745 720628148 /nfs/dbraw/zinc/62/81/48/720628148.db2.gz DKKLSEDEHZKITB-CABCVRRESA-N 2 1 355.446 0.983 20 0 FCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164746236 720652150 /nfs/dbraw/zinc/65/21/50/720652150.db2.gz WJQHGRDUMBRSQH-KGLIPLIRSA-N 2 1 353.430 0.254 20 0 FCADMP COCC[N@H+]1CCO[C@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@@H]2C1 ZINC001164856663 720893200 /nfs/dbraw/zinc/89/32/00/720893200.db2.gz GDSNEAGJKANCFA-WBVHZDCISA-N 2 1 361.490 0.645 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866619 721111157 /nfs/dbraw/zinc/11/11/57/721111157.db2.gz UGOSRUDTKNCJEV-QZTJIDSGSA-N 2 1 366.469 0.997 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@H]3C2)cn1 ZINC001164767976 721248347 /nfs/dbraw/zinc/24/83/47/721248347.db2.gz XIROHAVXLXSWKK-NVXWUHKLSA-N 2 1 353.474 0.855 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883614 721400527 /nfs/dbraw/zinc/40/05/27/721400527.db2.gz BGAJPIIEHGNGMQ-HKUYNNGSSA-N 2 1 360.506 0.701 20 0 FCADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029146 837602499 /nfs/dbraw/zinc/60/24/99/837602499.db2.gz XJUBNEFFNXCSKG-JKIFEVAISA-N 2 1 352.458 0.852 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029146 837602506 /nfs/dbraw/zinc/60/25/06/837602506.db2.gz XJUBNEFFNXCSKG-JKIFEVAISA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029146 837602510 /nfs/dbraw/zinc/60/25/10/837602510.db2.gz XJUBNEFFNXCSKG-JKIFEVAISA-N 2 1 352.458 0.852 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001070029146 837602513 /nfs/dbraw/zinc/60/25/13/837602513.db2.gz XJUBNEFFNXCSKG-JKIFEVAISA-N 2 1 352.458 0.852 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217663 837635616 /nfs/dbraw/zinc/63/56/16/837635616.db2.gz MZFOCLYEQPIBLH-KFWWJZLASA-N 2 1 363.491 0.617 20 0 FCADMP C[C@@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964756 837705694 /nfs/dbraw/zinc/70/56/94/837705694.db2.gz YBUHWCLZQWOYIG-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP C[C@@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964756 837705699 /nfs/dbraw/zinc/70/56/99/837705699.db2.gz YBUHWCLZQWOYIG-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP C[C@@H](F)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964756 837705705 /nfs/dbraw/zinc/70/57/05/837705705.db2.gz YBUHWCLZQWOYIG-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP C[C@@H](F)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964756 837705707 /nfs/dbraw/zinc/70/57/07/837705707.db2.gz YBUHWCLZQWOYIG-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071059938 837721382 /nfs/dbraw/zinc/72/13/82/837721382.db2.gz KOTHSEHHNDOYDZ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H]2CCS(=O)(=O)C2)C3)CC[N@H+]1C ZINC001072751798 837743521 /nfs/dbraw/zinc/74/35/21/837743521.db2.gz FCDKIMMTEGKFFM-BZUAXINKSA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C3)CC[NH+]1C ZINC001072751798 837743528 /nfs/dbraw/zinc/74/35/28/837743528.db2.gz FCDKIMMTEGKFFM-BZUAXINKSA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C3)CC[NH+]1C ZINC001072751798 837743533 /nfs/dbraw/zinc/74/35/33/837743533.db2.gz FCDKIMMTEGKFFM-BZUAXINKSA-N 2 1 369.531 0.296 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)cn1 ZINC001099341488 844033719 /nfs/dbraw/zinc/03/37/19/844033719.db2.gz GAMGSEHIEUPCIM-BFHYXJOUSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)cn1 ZINC001099341488 844033729 /nfs/dbraw/zinc/03/37/29/844033729.db2.gz GAMGSEHIEUPCIM-BFHYXJOUSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341597 844034406 /nfs/dbraw/zinc/03/44/06/844034406.db2.gz KHASUARKHPPZBS-MRVWCRGKSA-N 2 1 359.396 0.851 20 0 FCADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341597 844034412 /nfs/dbraw/zinc/03/44/12/844034412.db2.gz KHASUARKHPPZBS-MRVWCRGKSA-N 2 1 359.396 0.851 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100345033 844052111 /nfs/dbraw/zinc/05/21/11/844052111.db2.gz NFEVEEOSOXRIEJ-PRLABOORSA-N 2 1 359.536 0.636 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187391 844096489 /nfs/dbraw/zinc/09/64/89/844096489.db2.gz QJHMQMSVHTVVTG-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187391 844096501 /nfs/dbraw/zinc/09/65/01/844096501.db2.gz QJHMQMSVHTVVTG-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187391 844096511 /nfs/dbraw/zinc/09/65/11/844096511.db2.gz QJHMQMSVHTVVTG-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187391 844096525 /nfs/dbraw/zinc/09/65/25/844096525.db2.gz QJHMQMSVHTVVTG-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243585 844117265 /nfs/dbraw/zinc/11/72/65/844117265.db2.gz OHJSPJNKKGUERU-NNFUDEMPSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243585 844117272 /nfs/dbraw/zinc/11/72/72/844117272.db2.gz OHJSPJNKKGUERU-NNFUDEMPSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243585 844117278 /nfs/dbraw/zinc/11/72/78/844117278.db2.gz OHJSPJNKKGUERU-NNFUDEMPSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277704 844130925 /nfs/dbraw/zinc/13/09/25/844130925.db2.gz UWAUUIACTZAGBP-MTNOOBJLSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277704 844130928 /nfs/dbraw/zinc/13/09/28/844130928.db2.gz UWAUUIACTZAGBP-MTNOOBJLSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277704 844130930 /nfs/dbraw/zinc/13/09/30/844130930.db2.gz UWAUUIACTZAGBP-MTNOOBJLSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277704 844130934 /nfs/dbraw/zinc/13/09/34/844130934.db2.gz UWAUUIACTZAGBP-MTNOOBJLSA-N 2 1 353.507 0.911 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101339851 844151323 /nfs/dbraw/zinc/15/13/23/844151323.db2.gz JFIWPSGAMDCZJF-BMFAXAFESA-N 2 1 353.507 0.506 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)CC[NH+]1C ZINC001101339851 844151325 /nfs/dbraw/zinc/15/13/25/844151325.db2.gz JFIWPSGAMDCZJF-BMFAXAFESA-N 2 1 353.507 0.506 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)CC[NH+]1C ZINC001101339851 844151328 /nfs/dbraw/zinc/15/13/28/844151328.db2.gz JFIWPSGAMDCZJF-BMFAXAFESA-N 2 1 353.507 0.506 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101345087 844153501 /nfs/dbraw/zinc/15/35/01/844153501.db2.gz STTRQNHVDIQNME-QAPCUYQASA-N 2 1 351.495 0.134 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101350055 844155142 /nfs/dbraw/zinc/15/51/42/844155142.db2.gz SYFKNFGWZFDNSW-APWZRJJASA-N 2 1 350.507 0.587 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@]2(C)C1 ZINC001101352354 844156318 /nfs/dbraw/zinc/15/63/18/844156318.db2.gz BXCYYHZYWMHBLY-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368820 844163245 /nfs/dbraw/zinc/16/32/45/844163245.db2.gz PEGPFBDDMOCMGR-VCBZYWHSSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368820 844163254 /nfs/dbraw/zinc/16/32/54/844163254.db2.gz PEGPFBDDMOCMGR-VCBZYWHSSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368820 844163257 /nfs/dbraw/zinc/16/32/57/844163257.db2.gz PEGPFBDDMOCMGR-VCBZYWHSSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000820621693 836507115 /nfs/dbraw/zinc/50/71/15/836507115.db2.gz RVRUCHXAPDIRHB-CQSZACIVSA-N 2 1 354.495 0.922 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430252 844183872 /nfs/dbraw/zinc/18/38/72/844183872.db2.gz WAWDYOKBLFGITD-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430252 844183878 /nfs/dbraw/zinc/18/38/78/844183878.db2.gz WAWDYOKBLFGITD-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430252 844183883 /nfs/dbraw/zinc/18/38/83/844183883.db2.gz WAWDYOKBLFGITD-FCEWJHQRSA-N 2 1 350.507 0.635 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101431446 844183944 /nfs/dbraw/zinc/18/39/44/844183944.db2.gz OHYIBDIUCLJYAR-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101431446 844183950 /nfs/dbraw/zinc/18/39/50/844183950.db2.gz OHYIBDIUCLJYAR-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@]2(C)C1 ZINC001101432244 844184072 /nfs/dbraw/zinc/18/40/72/844184072.db2.gz ISAIKEDAMBQNET-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443661 844187249 /nfs/dbraw/zinc/18/72/49/844187249.db2.gz NIYNLWCKUFKUPT-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443661 844187254 /nfs/dbraw/zinc/18/72/54/844187254.db2.gz NIYNLWCKUFKUPT-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443661 844187259 /nfs/dbraw/zinc/18/72/59/844187259.db2.gz NIYNLWCKUFKUPT-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001062713958 836742602 /nfs/dbraw/zinc/74/26/02/836742602.db2.gz CYONFKBWEVGURG-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001062713958 836742607 /nfs/dbraw/zinc/74/26/07/836742607.db2.gz CYONFKBWEVGURG-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001062713958 836742615 /nfs/dbraw/zinc/74/26/15/836742615.db2.gz CYONFKBWEVGURG-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC2)CC[N@H+]1C ZINC001063558930 836775028 /nfs/dbraw/zinc/77/50/28/836775028.db2.gz WTGUPEAFSIDRHR-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC2)CC[NH+]1C ZINC001063558930 836775034 /nfs/dbraw/zinc/77/50/34/836775034.db2.gz WTGUPEAFSIDRHR-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC2)CC[NH+]1C ZINC001063558930 836775041 /nfs/dbraw/zinc/77/50/41/836775041.db2.gz WTGUPEAFSIDRHR-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476395 844199959 /nfs/dbraw/zinc/19/99/59/844199959.db2.gz QPAGBHVWYMPIDI-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476395 844199960 /nfs/dbraw/zinc/19/99/60/844199960.db2.gz QPAGBHVWYMPIDI-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001101476395 844199964 /nfs/dbraw/zinc/19/99/64/844199964.db2.gz QPAGBHVWYMPIDI-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063740371 836783468 /nfs/dbraw/zinc/78/34/68/836783468.db2.gz JVSCSCOIOSFLRZ-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063740371 836783476 /nfs/dbraw/zinc/78/34/76/836783476.db2.gz JVSCSCOIOSFLRZ-QLFBSQMISA-N 2 1 354.495 0.201 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065205271 836820551 /nfs/dbraw/zinc/82/05/51/836820551.db2.gz BHNVWYABWGSSOP-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065205271 836820558 /nfs/dbraw/zinc/82/05/58/836820558.db2.gz BHNVWYABWGSSOP-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065205271 836820563 /nfs/dbraw/zinc/82/05/63/836820563.db2.gz BHNVWYABWGSSOP-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001065212574 836823220 /nfs/dbraw/zinc/82/32/20/836823220.db2.gz QAJFGKHZRQRMKH-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815813 844279842 /nfs/dbraw/zinc/27/98/42/844279842.db2.gz UPBCBDGYYZNKHT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101815813 844279850 /nfs/dbraw/zinc/27/98/50/844279850.db2.gz UPBCBDGYYZNKHT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101815813 844279859 /nfs/dbraw/zinc/27/98/59/844279859.db2.gz UPBCBDGYYZNKHT-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001076365899 837991124 /nfs/dbraw/zinc/99/11/24/837991124.db2.gz SGFTTXXRZMYJCB-FGTMMUONSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001076365899 837991127 /nfs/dbraw/zinc/99/11/27/837991127.db2.gz SGFTTXXRZMYJCB-FGTMMUONSA-N 2 1 351.491 0.668 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076398913 837996190 /nfs/dbraw/zinc/99/61/90/837996190.db2.gz MFGQYKCLVOMEJW-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076398913 837996193 /nfs/dbraw/zinc/99/61/93/837996193.db2.gz MFGQYKCLVOMEJW-IXDOHACOSA-N 2 1 350.507 0.728 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836901 838127621 /nfs/dbraw/zinc/12/76/21/838127621.db2.gz FIRKACRGKGFUIF-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836901 838127625 /nfs/dbraw/zinc/12/76/25/838127625.db2.gz FIRKACRGKGFUIF-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836901 838127627 /nfs/dbraw/zinc/12/76/27/838127627.db2.gz FIRKACRGKGFUIF-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]2O)C1 ZINC001076836901 838127630 /nfs/dbraw/zinc/12/76/30/838127630.db2.gz FIRKACRGKGFUIF-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076951938 838176427 /nfs/dbraw/zinc/17/64/27/838176427.db2.gz JDYIRFUHQHSXSU-RRFJBIMHSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076951938 838176432 /nfs/dbraw/zinc/17/64/32/838176432.db2.gz JDYIRFUHQHSXSU-RRFJBIMHSA-N 2 1 354.495 0.201 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014252 838216790 /nfs/dbraw/zinc/21/67/90/838216790.db2.gz LUDSUMAUCXFPMQ-IAGOWNOFSA-N 2 1 351.495 0.656 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001077023659 838223066 /nfs/dbraw/zinc/22/30/66/838223066.db2.gz LYXJIWKWDGQGAC-RAEVTNRLSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001077023659 838223072 /nfs/dbraw/zinc/22/30/72/838223072.db2.gz LYXJIWKWDGQGAC-RAEVTNRLSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001077023659 838223079 /nfs/dbraw/zinc/22/30/79/838223079.db2.gz LYXJIWKWDGQGAC-RAEVTNRLSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001077023659 838223084 /nfs/dbraw/zinc/22/30/84/838223084.db2.gz LYXJIWKWDGQGAC-RAEVTNRLSA-N 2 1 352.504 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976142 844357153 /nfs/dbraw/zinc/35/71/53/844357153.db2.gz KRSDQCZCYDXHBV-OIISXLGYSA-N 2 1 371.547 0.447 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219296 838821897 /nfs/dbraw/zinc/82/18/97/838821897.db2.gz PIOFKTXBYWQMPH-GVDBMIGSSA-N 2 1 351.491 0.593 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102015195 844373697 /nfs/dbraw/zinc/37/36/97/844373697.db2.gz ADPLBBPQHGYDCU-BZUAXINKSA-N 2 1 356.486 0.583 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102015640 844374378 /nfs/dbraw/zinc/37/43/78/844374378.db2.gz MYKFAAUPGFAAAJ-IIAWOOMASA-N 2 1 354.474 0.679 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102015640 844374391 /nfs/dbraw/zinc/37/43/91/844374391.db2.gz MYKFAAUPGFAAAJ-IIAWOOMASA-N 2 1 354.474 0.679 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015891 844375512 /nfs/dbraw/zinc/37/55/12/844375512.db2.gz URYWWTRKVNUFLE-OAGGEKHMSA-N 2 1 358.502 0.829 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102040489 844391545 /nfs/dbraw/zinc/39/15/45/844391545.db2.gz LLQHTYMSJVSURO-KZNAEPCWSA-N 2 1 355.523 0.657 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001102040489 844391552 /nfs/dbraw/zinc/39/15/52/844391552.db2.gz LLQHTYMSJVSURO-KZNAEPCWSA-N 2 1 355.523 0.657 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001102040489 844391555 /nfs/dbraw/zinc/39/15/55/844391555.db2.gz LLQHTYMSJVSURO-KZNAEPCWSA-N 2 1 355.523 0.657 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047325 844394682 /nfs/dbraw/zinc/39/46/82/844394682.db2.gz CAQZXGRNLWHVPF-SIIHOXLZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077761962 839142156 /nfs/dbraw/zinc/14/21/56/839142156.db2.gz BGIOVKNZIBQICA-HZPDHXFCSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077761962 839142160 /nfs/dbraw/zinc/14/21/60/839142160.db2.gz BGIOVKNZIBQICA-HZPDHXFCSA-N 2 1 350.463 0.594 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077779215 839153356 /nfs/dbraw/zinc/15/33/56/839153356.db2.gz GTGWGEZTTRVDQC-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001102078839 844406925 /nfs/dbraw/zinc/40/69/25/844406925.db2.gz LFKQJNGYIZCCBU-IAGOWNOFSA-N 2 1 353.507 0.555 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102085858 844407794 /nfs/dbraw/zinc/40/77/94/844407794.db2.gz FJBOJTUHCKTXDB-BZUAXINKSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077884988 839205400 /nfs/dbraw/zinc/20/54/00/839205400.db2.gz FOAITLVMAZESNO-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077884988 839205405 /nfs/dbraw/zinc/20/54/05/839205405.db2.gz FOAITLVMAZESNO-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077884988 839205413 /nfs/dbraw/zinc/20/54/13/839205413.db2.gz FOAITLVMAZESNO-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077884988 839205420 /nfs/dbraw/zinc/20/54/20/839205420.db2.gz FOAITLVMAZESNO-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077888618 839208691 /nfs/dbraw/zinc/20/86/91/839208691.db2.gz MQUHNHBNZQBYSQ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077888618 839208708 /nfs/dbraw/zinc/20/87/08/839208708.db2.gz MQUHNHBNZQBYSQ-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001078183152 839385872 /nfs/dbraw/zinc/38/58/72/839385872.db2.gz CCHQOGFGKIJNIS-IAGOWNOFSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001078183152 839385885 /nfs/dbraw/zinc/38/58/85/839385885.db2.gz CCHQOGFGKIJNIS-IAGOWNOFSA-N 2 1 350.463 0.560 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171462 844434128 /nfs/dbraw/zinc/43/41/28/844434128.db2.gz YXIVGCIUKLOWJB-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171462 844434129 /nfs/dbraw/zinc/43/41/29/844434129.db2.gz YXIVGCIUKLOWJB-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171462 844434131 /nfs/dbraw/zinc/43/41/31/844434131.db2.gz YXIVGCIUKLOWJB-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC001078405038 839457890 /nfs/dbraw/zinc/45/78/90/839457890.db2.gz CFUCLIMVKKJYHR-VNHYZAJKSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213404 844445646 /nfs/dbraw/zinc/44/56/46/844445646.db2.gz DWGGFDOJOODUHC-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213405 844446361 /nfs/dbraw/zinc/44/63/61/844446361.db2.gz DWGGFDOJOODUHC-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275973 844456365 /nfs/dbraw/zinc/45/63/65/844456365.db2.gz ATNIENVYWCHGBR-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275973 844456372 /nfs/dbraw/zinc/45/63/72/844456372.db2.gz ATNIENVYWCHGBR-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275973 844456377 /nfs/dbraw/zinc/45/63/77/844456377.db2.gz ATNIENVYWCHGBR-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102294457 844459731 /nfs/dbraw/zinc/45/97/31/844459731.db2.gz ZARKKDIDVYFZJE-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289837 844460162 /nfs/dbraw/zinc/46/01/62/844460162.db2.gz TVXYSFXPZRLPDZ-BZUAXINKSA-N 2 1 371.547 0.447 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102290822 844460180 /nfs/dbraw/zinc/46/01/80/844460180.db2.gz WITWUZSDFULGIW-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102290822 844460187 /nfs/dbraw/zinc/46/01/87/844460187.db2.gz WITWUZSDFULGIW-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254694 839692467 /nfs/dbraw/zinc/69/24/67/839692467.db2.gz BWQVBPKKPLJJSQ-HUUCEWRRSA-N 2 1 351.495 0.323 20 0 FCADMP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080380226 839714438 /nfs/dbraw/zinc/71/44/38/839714438.db2.gz LHGSWOZFLOCGEG-GDBMZVCRSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080449492 839726244 /nfs/dbraw/zinc/72/62/44/839726244.db2.gz NDQSCNGASDMPCQ-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449492 839726251 /nfs/dbraw/zinc/72/62/51/839726251.db2.gz NDQSCNGASDMPCQ-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449492 839726258 /nfs/dbraw/zinc/72/62/58/839726258.db2.gz NDQSCNGASDMPCQ-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558914 839746377 /nfs/dbraw/zinc/74/63/77/839746377.db2.gz KOGFRVSLELAKCX-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558914 839746383 /nfs/dbraw/zinc/74/63/83/839746383.db2.gz KOGFRVSLELAKCX-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001102330147 844468032 /nfs/dbraw/zinc/46/80/32/844468032.db2.gz FIQHKGNYTQBIJQ-BZUAXINKSA-N 2 1 353.511 0.282 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368232 844476785 /nfs/dbraw/zinc/47/67/85/844476785.db2.gz LYRGCYZNDZHPFM-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368232 844476791 /nfs/dbraw/zinc/47/67/91/844476791.db2.gz LYRGCYZNDZHPFM-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368232 844476797 /nfs/dbraw/zinc/47/67/97/844476797.db2.gz LYRGCYZNDZHPFM-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368319 844478260 /nfs/dbraw/zinc/47/82/60/844478260.db2.gz PNMPWGQKEFJVRS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368319 844478266 /nfs/dbraw/zinc/47/82/66/844478266.db2.gz PNMPWGQKEFJVRS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368319 844478271 /nfs/dbraw/zinc/47/82/71/844478271.db2.gz PNMPWGQKEFJVRS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369842 844478353 /nfs/dbraw/zinc/47/83/53/844478353.db2.gz IHXCOAAFIYJHHI-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369842 844478357 /nfs/dbraw/zinc/47/83/57/844478357.db2.gz IHXCOAAFIYJHHI-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369842 844478359 /nfs/dbraw/zinc/47/83/59/844478359.db2.gz IHXCOAAFIYJHHI-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375452 844480743 /nfs/dbraw/zinc/48/07/43/844480743.db2.gz KHBGRBNPQLXFCA-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375452 844480746 /nfs/dbraw/zinc/48/07/46/844480746.db2.gz KHBGRBNPQLXFCA-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375452 844480747 /nfs/dbraw/zinc/48/07/47/844480747.db2.gz KHBGRBNPQLXFCA-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081673069 839993977 /nfs/dbraw/zinc/99/39/77/839993977.db2.gz VVVHOXXZNOIQEO-GVDBMIGSSA-N 2 1 364.515 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081673069 839993994 /nfs/dbraw/zinc/99/39/94/839993994.db2.gz VVVHOXXZNOIQEO-GVDBMIGSSA-N 2 1 364.515 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001081672831 839994572 /nfs/dbraw/zinc/99/45/72/839994572.db2.gz LXMBIEJQIRJYAO-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001081672831 839994581 /nfs/dbraw/zinc/99/45/81/839994581.db2.gz LXMBIEJQIRJYAO-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001081672831 839994592 /nfs/dbraw/zinc/99/45/92/839994592.db2.gz LXMBIEJQIRJYAO-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C2)n1C ZINC001102473751 844515868 /nfs/dbraw/zinc/51/58/68/844515868.db2.gz NRLIVMWRLYEJES-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C2)n1C ZINC001102473751 844515872 /nfs/dbraw/zinc/51/58/72/844515872.db2.gz NRLIVMWRLYEJES-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082561608 840466174 /nfs/dbraw/zinc/46/61/74/840466174.db2.gz DZQVWALNKUHMTG-IJEWVQPXSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082561868 840466751 /nfs/dbraw/zinc/46/67/51/840466751.db2.gz XDMJXJMWGMCVOL-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1)[NH+](C)C ZINC001082589248 840477128 /nfs/dbraw/zinc/47/71/28/840477128.db2.gz QZMPXHNERPYVJU-JHJVBQTASA-N 2 1 358.437 0.820 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)sn1 ZINC001082590287 840479410 /nfs/dbraw/zinc/47/94/10/840479410.db2.gz NCXXUYJVUCJTPO-QHSBEEBCSA-N 2 1 368.503 0.807 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)sn1 ZINC001082590287 840479412 /nfs/dbraw/zinc/47/94/12/840479412.db2.gz NCXXUYJVUCJTPO-QHSBEEBCSA-N 2 1 368.503 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082596274 840481953 /nfs/dbraw/zinc/48/19/53/840481953.db2.gz CJDXBQXKHHJZOG-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513672 844545220 /nfs/dbraw/zinc/54/52/20/844545220.db2.gz WJFBHWXIFDNSCB-OAGGEKHMSA-N 2 1 356.511 0.293 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514848 844545772 /nfs/dbraw/zinc/54/57/72/844545772.db2.gz QFSCPOOZJNSOJC-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514848 844545775 /nfs/dbraw/zinc/54/57/75/844545775.db2.gz QFSCPOOZJNSOJC-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514848 844545783 /nfs/dbraw/zinc/54/57/83/844545783.db2.gz QFSCPOOZJNSOJC-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001082646848 840510386 /nfs/dbraw/zinc/51/03/86/840510386.db2.gz YBMIAYRFLQQCQJ-VNQPRFMTSA-N 2 1 368.503 0.453 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC001082827916 840576327 /nfs/dbraw/zinc/57/63/27/840576327.db2.gz HNGYYVHLENIPAW-IUODEOHRSA-N 2 1 367.519 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082920105 840602000 /nfs/dbraw/zinc/60/20/00/840602000.db2.gz QNQBMWDEBXILJZ-IXDOHACOSA-N 2 1 350.507 0.633 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cs1 ZINC001082921024 840602108 /nfs/dbraw/zinc/60/21/08/840602108.db2.gz QZJDDPRDKSOGIN-UXIGCNINSA-N 2 1 365.503 0.990 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cs1 ZINC001082921024 840602114 /nfs/dbraw/zinc/60/21/14/840602114.db2.gz QZJDDPRDKSOGIN-UXIGCNINSA-N 2 1 365.503 0.990 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)C1 ZINC001082933992 840613354 /nfs/dbraw/zinc/61/33/54/840613354.db2.gz SIKWZONQBCRRTC-BPLDGKMQSA-N 2 1 368.503 0.809 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)C1 ZINC001082933992 840613357 /nfs/dbraw/zinc/61/33/57/840613357.db2.gz SIKWZONQBCRRTC-BPLDGKMQSA-N 2 1 368.503 0.809 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccns3)C2)C1 ZINC001082934510 840614138 /nfs/dbraw/zinc/61/41/38/840614138.db2.gz OARDEAWQBXKTQU-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccns3)C2)C1 ZINC001082934510 840614144 /nfs/dbraw/zinc/61/41/44/840614144.db2.gz OARDEAWQBXKTQU-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102577857 844572015 /nfs/dbraw/zinc/57/20/15/844572015.db2.gz ABNWIAITXFPHJE-OWCLPIDISA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102577857 844572018 /nfs/dbraw/zinc/57/20/18/844572018.db2.gz ABNWIAITXFPHJE-OWCLPIDISA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102577857 844572021 /nfs/dbraw/zinc/57/20/21/844572021.db2.gz ABNWIAITXFPHJE-OWCLPIDISA-N 2 1 371.547 0.447 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CC4)C[C@@H]32)C1 ZINC001083174631 840772446 /nfs/dbraw/zinc/77/24/46/840772446.db2.gz QXKHHABQMRHTRQ-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CC4)C[C@@H]32)C1 ZINC001083174631 840772451 /nfs/dbraw/zinc/77/24/51/840772451.db2.gz QXKHHABQMRHTRQ-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CC4)C[C@@H]32)C1 ZINC001083174631 840772458 /nfs/dbraw/zinc/77/24/58/840772458.db2.gz QXKHHABQMRHTRQ-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]32)C1 ZINC001083174631 840772465 /nfs/dbraw/zinc/77/24/65/840772465.db2.gz QXKHHABQMRHTRQ-RCCFBDPRSA-N 2 1 351.491 0.807 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102579136 844572728 /nfs/dbraw/zinc/57/27/28/844572728.db2.gz JMJQELASGUOREQ-IIAWOOMASA-N 2 1 370.519 0.556 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102579136 844572732 /nfs/dbraw/zinc/57/27/32/844572732.db2.gz JMJQELASGUOREQ-IIAWOOMASA-N 2 1 370.519 0.556 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578271 844572817 /nfs/dbraw/zinc/57/28/17/844572817.db2.gz TVBANOOWBYECNU-HYVNUMGLSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578271 844572818 /nfs/dbraw/zinc/57/28/18/844572818.db2.gz TVBANOOWBYECNU-HYVNUMGLSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578271 844572820 /nfs/dbraw/zinc/57/28/20/844572820.db2.gz TVBANOOWBYECNU-HYVNUMGLSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578123 844573307 /nfs/dbraw/zinc/57/33/07/844573307.db2.gz MJYHOLPYXPENKU-FRRDWIJNSA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578123 844573317 /nfs/dbraw/zinc/57/33/17/844573317.db2.gz MJYHOLPYXPENKU-FRRDWIJNSA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578123 844573327 /nfs/dbraw/zinc/57/33/27/844573327.db2.gz MJYHOLPYXPENKU-FRRDWIJNSA-N 2 1 364.412 0.301 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578123 844573338 /nfs/dbraw/zinc/57/33/38/844573338.db2.gz MJYHOLPYXPENKU-FRRDWIJNSA-N 2 1 364.412 0.301 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579205 844573437 /nfs/dbraw/zinc/57/34/37/844573437.db2.gz NESJFABOLSRBLY-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001083192904 840786461 /nfs/dbraw/zinc/78/64/61/840786461.db2.gz ULDQZLIPKZPSGU-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083192904 840786469 /nfs/dbraw/zinc/78/64/69/840786469.db2.gz ULDQZLIPKZPSGU-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083192904 840786474 /nfs/dbraw/zinc/78/64/74/840786474.db2.gz ULDQZLIPKZPSGU-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192425 840786623 /nfs/dbraw/zinc/78/66/23/840786623.db2.gz BCZXPJGVKCLTEA-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192425 840786626 /nfs/dbraw/zinc/78/66/26/840786626.db2.gz BCZXPJGVKCLTEA-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083192425 840786630 /nfs/dbraw/zinc/78/66/30/840786630.db2.gz BCZXPJGVKCLTEA-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)CS(C)(=O)=O ZINC001102579357 844574433 /nfs/dbraw/zinc/57/44/33/844574433.db2.gz UCFFCAFGZIMMJI-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582966 844577108 /nfs/dbraw/zinc/57/71/08/844577108.db2.gz HFNUBONSWJFPGU-BRWVUGGUSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001083275215 840855582 /nfs/dbraw/zinc/85/55/82/840855582.db2.gz SUWNLTOXHOWXJJ-OKZBNKHCSA-N 2 1 351.491 0.953 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083275434 840857081 /nfs/dbraw/zinc/85/70/81/840857081.db2.gz CQPDAIRVSRZVFQ-ZWKOTPCHSA-N 2 1 351.491 0.811 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001102589202 844583499 /nfs/dbraw/zinc/58/34/99/844583499.db2.gz CNYYENFFAHTPKH-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001102589202 844583514 /nfs/dbraw/zinc/58/35/14/844583514.db2.gz CNYYENFFAHTPKH-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCCOC)C[C@H]2C)C1 ZINC001102589202 844583519 /nfs/dbraw/zinc/58/35/19/844583519.db2.gz CNYYENFFAHTPKH-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)C1 ZINC001102589202 844583527 /nfs/dbraw/zinc/58/35/27/844583527.db2.gz CNYYENFFAHTPKH-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596475 844586885 /nfs/dbraw/zinc/58/68/85/844586885.db2.gz HQWPEESEURWDFH-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601362 844591609 /nfs/dbraw/zinc/59/16/09/844591609.db2.gz ZSLQPUGWGFWWCZ-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601362 844591611 /nfs/dbraw/zinc/59/16/11/844591611.db2.gz ZSLQPUGWGFWWCZ-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601362 844591613 /nfs/dbraw/zinc/59/16/13/844591613.db2.gz ZSLQPUGWGFWWCZ-HZPDHXFCSA-N 2 1 361.552 0.836 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001102600256 844592796 /nfs/dbraw/zinc/59/27/96/844592796.db2.gz WINHVSNXIPWBOO-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083460412 841027666 /nfs/dbraw/zinc/02/76/66/841027666.db2.gz GESGXHKVDKPRCF-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612938 844601309 /nfs/dbraw/zinc/60/13/09/844601309.db2.gz DUTGHUHTZDZQEY-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001083524680 841124400 /nfs/dbraw/zinc/12/44/00/841124400.db2.gz GERGEYNECADAIB-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083524680 841124406 /nfs/dbraw/zinc/12/44/06/841124406.db2.gz GERGEYNECADAIB-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083524680 841124412 /nfs/dbraw/zinc/12/44/12/841124412.db2.gz GERGEYNECADAIB-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563428 841172845 /nfs/dbraw/zinc/17/28/45/841172845.db2.gz PIOFKTXBYWQMPH-BBWFWOEESA-N 2 1 351.491 0.593 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563311 841173154 /nfs/dbraw/zinc/17/31/54/841173154.db2.gz JBJXEDPCUHXOIW-ZACQAIPSSA-N 2 1 351.491 0.593 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083695984 841325449 /nfs/dbraw/zinc/32/54/49/841325449.db2.gz DFWBUAZDHDLHHT-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696258 841326536 /nfs/dbraw/zinc/32/65/36/841326536.db2.gz RCHHEQGPKACEIM-XHSDSOJGSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696258 841326541 /nfs/dbraw/zinc/32/65/41/841326541.db2.gz RCHHEQGPKACEIM-XHSDSOJGSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083833045 841477677 /nfs/dbraw/zinc/47/76/77/841477677.db2.gz GTGWGEZTTRVDQC-ZACQAIPSSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1)OC ZINC001083937315 841581686 /nfs/dbraw/zinc/58/16/86/841581686.db2.gz XAOWWLXYVPEJNI-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833837 861219650 /nfs/dbraw/zinc/21/96/50/861219650.db2.gz RNXRHCWGCIKZTL-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053985 841669021 /nfs/dbraw/zinc/66/90/21/841669021.db2.gz RXGFUBWNKLEQLK-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053985 841669027 /nfs/dbraw/zinc/66/90/27/841669027.db2.gz RXGFUBWNKLEQLK-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053985 841669031 /nfs/dbraw/zinc/66/90/31/841669031.db2.gz RXGFUBWNKLEQLK-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001084053985 841669036 /nfs/dbraw/zinc/66/90/36/841669036.db2.gz RXGFUBWNKLEQLK-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078033 841688330 /nfs/dbraw/zinc/68/83/30/841688330.db2.gz KTFKRFYIBGMCTA-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078033 841688333 /nfs/dbraw/zinc/68/83/33/841688333.db2.gz KTFKRFYIBGMCTA-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078033 841688336 /nfs/dbraw/zinc/68/83/36/841688336.db2.gz KTFKRFYIBGMCTA-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2O)C1 ZINC001084078033 841688337 /nfs/dbraw/zinc/68/83/37/841688337.db2.gz KTFKRFYIBGMCTA-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CC1(C[N@@H+]2CC[C@@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862473 861230567 /nfs/dbraw/zinc/23/05/67/861230567.db2.gz HZFVVXVDLCMLQU-LJQANCHMSA-N 2 1 351.491 0.811 20 0 FCADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862473 861230580 /nfs/dbraw/zinc/23/05/80/861230580.db2.gz HZFVVXVDLCMLQU-LJQANCHMSA-N 2 1 351.491 0.811 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084405608 841788026 /nfs/dbraw/zinc/78/80/26/841788026.db2.gz VHHQHCNLLBIKCB-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084405608 841788029 /nfs/dbraw/zinc/78/80/29/841788029.db2.gz VHHQHCNLLBIKCB-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084405608 841788037 /nfs/dbraw/zinc/78/80/37/841788037.db2.gz VHHQHCNLLBIKCB-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084405608 841788043 /nfs/dbraw/zinc/78/80/43/841788043.db2.gz VHHQHCNLLBIKCB-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877600 861240142 /nfs/dbraw/zinc/24/01/42/861240142.db2.gz DJQZXSLVHQMGKL-AEFFLSMTSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877600 861240159 /nfs/dbraw/zinc/24/01/59/861240159.db2.gz DJQZXSLVHQMGKL-AEFFLSMTSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877600 861240173 /nfs/dbraw/zinc/24/01/73/861240173.db2.gz DJQZXSLVHQMGKL-AEFFLSMTSA-N 2 1 355.479 0.252 20 0 FCADMP COCCOCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877600 861240186 /nfs/dbraw/zinc/24/01/86/861240186.db2.gz DJQZXSLVHQMGKL-AEFFLSMTSA-N 2 1 355.479 0.252 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877366 861240526 /nfs/dbraw/zinc/24/05/26/861240526.db2.gz AZSLYKDCILGPKX-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275879211 861243666 /nfs/dbraw/zinc/24/36/66/861243666.db2.gz OUKZEMLSFMIVDC-FUHWJXTLSA-N 2 1 371.547 0.687 20 0 FCADMP CCNC(=O)CNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001275879391 861244194 /nfs/dbraw/zinc/24/41/94/861244194.db2.gz OFPWZKZJCVHOCZ-JKSUJKDBSA-N 2 1 350.507 0.683 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844445 841932656 /nfs/dbraw/zinc/93/26/56/841932656.db2.gz TZYCIMXLVHHQSD-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844445 841932669 /nfs/dbraw/zinc/93/26/69/841932669.db2.gz TZYCIMXLVHHQSD-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844445 841932680 /nfs/dbraw/zinc/93/26/80/841932680.db2.gz TZYCIMXLVHHQSD-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001084844445 841932692 /nfs/dbraw/zinc/93/26/92/841932692.db2.gz TZYCIMXLVHHQSD-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001085022272 841993942 /nfs/dbraw/zinc/99/39/42/841993942.db2.gz QZEMQGDBMLRJHU-ZBFHGGJFSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001085022272 841993949 /nfs/dbraw/zinc/99/39/49/841993949.db2.gz QZEMQGDBMLRJHU-ZBFHGGJFSA-N 2 1 357.520 0.296 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120177 842121959 /nfs/dbraw/zinc/12/19/59/842121959.db2.gz OICZIWKBEIGKMM-RUZUBIRVSA-N 2 1 353.492 0.550 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120177 842121966 /nfs/dbraw/zinc/12/19/66/842121966.db2.gz OICZIWKBEIGKMM-RUZUBIRVSA-N 2 1 353.492 0.550 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087034915 842232599 /nfs/dbraw/zinc/23/25/99/842232599.db2.gz CYDORJIRKYZLNY-RBSFLKMASA-N 2 1 367.519 0.894 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087055382 842252218 /nfs/dbraw/zinc/25/22/18/842252218.db2.gz JUXGOFCTVGZCHB-RRCSTGOVSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087055382 842252229 /nfs/dbraw/zinc/25/22/29/842252229.db2.gz JUXGOFCTVGZCHB-RRCSTGOVSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087062582 842258838 /nfs/dbraw/zinc/25/88/38/842258838.db2.gz MRXLIYYXAWEYRJ-BPLDGKMQSA-N 2 1 355.508 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087062979 842259973 /nfs/dbraw/zinc/25/99/73/842259973.db2.gz CZVZNCNXADCJLD-VNQPRFMTSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087062979 842259976 /nfs/dbraw/zinc/25/99/76/842259976.db2.gz CZVZNCNXADCJLD-VNQPRFMTSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087062386 842260013 /nfs/dbraw/zinc/26/00/13/842260013.db2.gz DTDWVKKSFHLCLK-BPLDGKMQSA-N 2 1 355.508 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087083423 842276703 /nfs/dbraw/zinc/27/67/03/842276703.db2.gz DQAJFUGGGQLPJL-ZMSDIMECSA-N 2 1 350.463 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087101122 842289069 /nfs/dbraw/zinc/28/90/69/842289069.db2.gz USQHBRCSVGSRPJ-USXIJHARSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087578085 842361847 /nfs/dbraw/zinc/36/18/47/842361847.db2.gz ZWPAXPWSSCVQGR-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N1CCCC1 ZINC001087578085 842361857 /nfs/dbraw/zinc/36/18/57/842361857.db2.gz ZWPAXPWSSCVQGR-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N1CCCC1 ZINC001087578085 842361864 /nfs/dbraw/zinc/36/18/64/842361864.db2.gz ZWPAXPWSSCVQGR-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087699955 842408408 /nfs/dbraw/zinc/40/84/08/842408408.db2.gz UFOWSUOKIYUMME-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N1CCC1 ZINC001087699955 842408413 /nfs/dbraw/zinc/40/84/13/842408413.db2.gz UFOWSUOKIYUMME-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC(=O)N1CCC1 ZINC001087699955 842408421 /nfs/dbraw/zinc/40/84/21/842408421.db2.gz UFOWSUOKIYUMME-LUKYLMHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966760 842482705 /nfs/dbraw/zinc/48/27/05/842482705.db2.gz UDEJKQXXJLLRAS-OAGGEKHMSA-N 2 1 350.507 0.905 20 0 FCADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087992107 842492319 /nfs/dbraw/zinc/49/23/19/842492319.db2.gz DOCKFEISWDFDSH-RYRKJORJSA-N 2 1 351.491 0.402 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087992107 842492327 /nfs/dbraw/zinc/49/23/27/842492327.db2.gz DOCKFEISWDFDSH-RYRKJORJSA-N 2 1 351.491 0.402 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087992107 842492332 /nfs/dbraw/zinc/49/23/32/842492332.db2.gz DOCKFEISWDFDSH-RYRKJORJSA-N 2 1 351.491 0.402 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130300 842538497 /nfs/dbraw/zinc/53/84/97/842538497.db2.gz HJYWAUDCPIXTLU-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157841 842546678 /nfs/dbraw/zinc/54/66/78/842546678.db2.gz KBSWVJMRJLQKDR-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)[NH+]1CCCCC1 ZINC001088212677 842563014 /nfs/dbraw/zinc/56/30/14/842563014.db2.gz HVJPLIWEOGOCQB-SOLBZPMBSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001088835817 842690825 /nfs/dbraw/zinc/69/08/25/842690825.db2.gz PSRNKPKEKFVDGQ-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001088860720 842697472 /nfs/dbraw/zinc/69/74/72/842697472.db2.gz ZASIGNRNWLSHLT-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCCN1CCCC1=O ZINC001088860720 842697478 /nfs/dbraw/zinc/69/74/78/842697478.db2.gz ZASIGNRNWLSHLT-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCCN1CCCC1=O ZINC001088860720 842697484 /nfs/dbraw/zinc/69/74/84/842697484.db2.gz ZASIGNRNWLSHLT-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038618 842751153 /nfs/dbraw/zinc/75/11/53/842751153.db2.gz DTGUGVXATNNEBP-ILXRZTDVSA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038618 842751156 /nfs/dbraw/zinc/75/11/56/842751156.db2.gz DTGUGVXATNNEBP-ILXRZTDVSA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089038618 842751162 /nfs/dbraw/zinc/75/11/62/842751162.db2.gz DTGUGVXATNNEBP-ILXRZTDVSA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089038618 842751167 /nfs/dbraw/zinc/75/11/67/842751167.db2.gz DTGUGVXATNNEBP-ILXRZTDVSA-N 2 1 352.504 0.749 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001089060759 842764394 /nfs/dbraw/zinc/76/43/94/842764394.db2.gz FLINFAOONMVICC-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001089060759 842764397 /nfs/dbraw/zinc/76/43/97/842764397.db2.gz FLINFAOONMVICC-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001089060759 842764402 /nfs/dbraw/zinc/76/44/02/842764402.db2.gz FLINFAOONMVICC-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089942259 842776053 /nfs/dbraw/zinc/77/60/53/842776053.db2.gz SDDDWIFNUYKPEY-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089942259 842776058 /nfs/dbraw/zinc/77/60/58/842776058.db2.gz SDDDWIFNUYKPEY-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089942259 842776063 /nfs/dbraw/zinc/77/60/63/842776063.db2.gz SDDDWIFNUYKPEY-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCCO)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089942258 842776217 /nfs/dbraw/zinc/77/62/17/842776217.db2.gz SDDDWIFNUYKPEY-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CCCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089942258 842776220 /nfs/dbraw/zinc/77/62/20/842776220.db2.gz SDDDWIFNUYKPEY-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CCCO)CC3(CCOCC3)C2)CC[NH+]1C ZINC001089942258 842776224 /nfs/dbraw/zinc/77/62/24/842776224.db2.gz SDDDWIFNUYKPEY-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001091037297 842936013 /nfs/dbraw/zinc/93/60/13/842936013.db2.gz ISYNXBSIHQYWFU-LHUBUQBQSA-N 2 1 371.547 0.636 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001091038627 842936575 /nfs/dbraw/zinc/93/65/75/842936575.db2.gz BCUKMQZWOZIZBW-SJJHQCBESA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953724 843127735 /nfs/dbraw/zinc/12/77/35/843127735.db2.gz RTSCLOZXABTECD-CUSZFKRNSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953724 843127739 /nfs/dbraw/zinc/12/77/39/843127739.db2.gz RTSCLOZXABTECD-CUSZFKRNSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953724 843127747 /nfs/dbraw/zinc/12/77/47/843127747.db2.gz RTSCLOZXABTECD-CUSZFKRNSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953724 843127754 /nfs/dbraw/zinc/12/77/54/843127754.db2.gz RTSCLOZXABTECD-CUSZFKRNSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953567 843128367 /nfs/dbraw/zinc/12/83/67/843128367.db2.gz OISBAAPSIIYTGC-GGXPGOJBSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953567 843128373 /nfs/dbraw/zinc/12/83/73/843128373.db2.gz OISBAAPSIIYTGC-GGXPGOJBSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953567 843128380 /nfs/dbraw/zinc/12/83/80/843128380.db2.gz OISBAAPSIIYTGC-GGXPGOJBSA-N 2 1 350.507 0.585 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302029 843182328 /nfs/dbraw/zinc/18/23/28/843182328.db2.gz PWUPAZMTZUTCIW-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302029 843182331 /nfs/dbraw/zinc/18/23/31/843182331.db2.gz PWUPAZMTZUTCIW-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302029 843182335 /nfs/dbraw/zinc/18/23/35/843182335.db2.gz PWUPAZMTZUTCIW-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092302029 843182339 /nfs/dbraw/zinc/18/23/39/843182339.db2.gz PWUPAZMTZUTCIW-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300489 843182354 /nfs/dbraw/zinc/18/23/54/843182354.db2.gz XJMKRIIIEAQKHQ-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524377 843229269 /nfs/dbraw/zinc/22/92/69/843229269.db2.gz WVVRGBMUTKRSJI-FMKPAKJESA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092524377 843229279 /nfs/dbraw/zinc/22/92/79/843229279.db2.gz WVVRGBMUTKRSJI-FMKPAKJESA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092524377 843229290 /nfs/dbraw/zinc/22/92/90/843229290.db2.gz WVVRGBMUTKRSJI-FMKPAKJESA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092524377 843229296 /nfs/dbraw/zinc/22/92/96/843229296.db2.gz WVVRGBMUTKRSJI-FMKPAKJESA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524378 843230097 /nfs/dbraw/zinc/23/00/97/843230097.db2.gz WVVRGBMUTKRSJI-IIAWOOMASA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092524378 843230106 /nfs/dbraw/zinc/23/01/06/843230106.db2.gz WVVRGBMUTKRSJI-IIAWOOMASA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092524378 843230116 /nfs/dbraw/zinc/23/01/16/843230116.db2.gz WVVRGBMUTKRSJI-IIAWOOMASA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092524378 843230126 /nfs/dbraw/zinc/23/01/26/843230126.db2.gz WVVRGBMUTKRSJI-IIAWOOMASA-N 2 1 369.897 0.551 20 0 FCADMP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092610935 843252272 /nfs/dbraw/zinc/25/22/72/843252272.db2.gz ACSKEOROAHENQW-FVQBIDKESA-N 2 1 357.520 0.057 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092610935 843252281 /nfs/dbraw/zinc/25/22/81/843252281.db2.gz ACSKEOROAHENQW-FVQBIDKESA-N 2 1 357.520 0.057 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658265 843269352 /nfs/dbraw/zinc/26/93/52/843269352.db2.gz NPFQVXJRRRAOJF-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658265 843269360 /nfs/dbraw/zinc/26/93/60/843269360.db2.gz NPFQVXJRRRAOJF-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092658265 843269365 /nfs/dbraw/zinc/26/93/65/843269365.db2.gz NPFQVXJRRRAOJF-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724332 843286880 /nfs/dbraw/zinc/28/68/80/843286880.db2.gz LARNYZXWYCHGHK-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724332 843286891 /nfs/dbraw/zinc/28/68/91/843286891.db2.gz LARNYZXWYCHGHK-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724332 843286903 /nfs/dbraw/zinc/28/69/03/843286903.db2.gz LARNYZXWYCHGHK-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncoc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724332 843286913 /nfs/dbraw/zinc/28/69/13/843286913.db2.gz LARNYZXWYCHGHK-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306875 861403186 /nfs/dbraw/zinc/40/31/86/861403186.db2.gz GGHVYLNKSCTVDK-IEBWSBKVSA-N 2 1 350.507 0.873 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690902 843456483 /nfs/dbraw/zinc/45/64/83/843456483.db2.gz ILTZOYOYDBJSRE-CPUCHLNUSA-N 2 1 350.463 0.752 20 0 FCADMP CCc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690902 843456492 /nfs/dbraw/zinc/45/64/92/843456492.db2.gz ILTZOYOYDBJSRE-CPUCHLNUSA-N 2 1 350.463 0.752 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001093857664 843480306 /nfs/dbraw/zinc/48/03/06/843480306.db2.gz QRNJUKRKGZJICQ-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001093857664 843480310 /nfs/dbraw/zinc/48/03/10/843480310.db2.gz QRNJUKRKGZJICQ-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094114151 843517855 /nfs/dbraw/zinc/51/78/55/843517855.db2.gz VTQXGCBQCZPCFV-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001094577144 843563146 /nfs/dbraw/zinc/56/31/46/843563146.db2.gz CUKGMFODSOYRSA-BFYDXBDKSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001094577144 843563157 /nfs/dbraw/zinc/56/31/57/843563157.db2.gz CUKGMFODSOYRSA-BFYDXBDKSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)C1 ZINC001094577144 843563169 /nfs/dbraw/zinc/56/31/69/843563169.db2.gz CUKGMFODSOYRSA-BFYDXBDKSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)C1 ZINC001094577144 843563178 /nfs/dbraw/zinc/56/31/78/843563178.db2.gz CUKGMFODSOYRSA-BFYDXBDKSA-N 2 1 357.520 0.344 20 0 FCADMP COC(=O)c1cnc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)s1 ZINC001276445541 861451530 /nfs/dbraw/zinc/45/15/30/861451530.db2.gz JLZRPCOEYBSOOB-QGZVFWFLSA-N 2 1 366.487 0.916 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)s1 ZINC001276445541 861451541 /nfs/dbraw/zinc/45/15/41/861451541.db2.gz JLZRPCOEYBSOOB-QGZVFWFLSA-N 2 1 366.487 0.916 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097210086 843852607 /nfs/dbraw/zinc/85/26/07/843852607.db2.gz OHARVSDMBVSMOB-HZMVEIRTSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001097210086 843852614 /nfs/dbraw/zinc/85/26/14/843852614.db2.gz OHARVSDMBVSMOB-HZMVEIRTSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001097210086 843852620 /nfs/dbraw/zinc/85/26/20/843852620.db2.gz OHARVSDMBVSMOB-HZMVEIRTSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001097210086 843852627 /nfs/dbraw/zinc/85/26/27/843852627.db2.gz OHARVSDMBVSMOB-HZMVEIRTSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)CC1 ZINC001098137440 843901960 /nfs/dbraw/zinc/90/19/60/843901960.db2.gz FPTLJHNJFGFYSB-ZACQAIPSSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)CC1 ZINC001098137440 843901964 /nfs/dbraw/zinc/90/19/64/843901964.db2.gz FPTLJHNJFGFYSB-ZACQAIPSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001098371743 843911606 /nfs/dbraw/zinc/91/16/06/843911606.db2.gz FGPSAORTTOFMEM-JFIYKMOQSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)C[C@H]3CCOC3)CC2)CC[NH+]1C ZINC001098371743 843911613 /nfs/dbraw/zinc/91/16/13/843911613.db2.gz FGPSAORTTOFMEM-JFIYKMOQSA-N 2 1 353.507 0.648 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)C[C@H]3CCOC3)CC2)CC[NH+]1C ZINC001098371743 843911618 /nfs/dbraw/zinc/91/16/18/843911618.db2.gz FGPSAORTTOFMEM-JFIYKMOQSA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H](F)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404917 843915508 /nfs/dbraw/zinc/91/55/08/843915508.db2.gz XJUAYZAIHJFIGR-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@@H](F)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404917 843915513 /nfs/dbraw/zinc/91/55/13/843915513.db2.gz XJUAYZAIHJFIGR-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@@H](F)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404917 843915520 /nfs/dbraw/zinc/91/55/20/843915520.db2.gz XJUAYZAIHJFIGR-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@@H](F)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404917 843915527 /nfs/dbraw/zinc/91/55/27/843915527.db2.gz XJUAYZAIHJFIGR-BFYDXBDKSA-N 2 1 359.486 0.739 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819587 844653061 /nfs/dbraw/zinc/65/30/61/844653061.db2.gz WGWORAGBYWNYGM-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819587 844653064 /nfs/dbraw/zinc/65/30/64/844653064.db2.gz WGWORAGBYWNYGM-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC001102819587 844653069 /nfs/dbraw/zinc/65/30/69/844653069.db2.gz WGWORAGBYWNYGM-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001102819587 844653072 /nfs/dbraw/zinc/65/30/72/844653072.db2.gz WGWORAGBYWNYGM-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819613 844653317 /nfs/dbraw/zinc/65/33/17/844653317.db2.gz XJCGKROLDYMWLV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819613 844653320 /nfs/dbraw/zinc/65/33/20/844653320.db2.gz XJCGKROLDYMWLV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819613 844653323 /nfs/dbraw/zinc/65/33/23/844653323.db2.gz XJCGKROLDYMWLV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819613 844653327 /nfs/dbraw/zinc/65/33/27/844653327.db2.gz XJCGKROLDYMWLV-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083847 844697729 /nfs/dbraw/zinc/69/77/29/844697729.db2.gz LTALXOBTURMFER-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083847 844697731 /nfs/dbraw/zinc/69/77/31/844697731.db2.gz LTALXOBTURMFER-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083847 844697734 /nfs/dbraw/zinc/69/77/34/844697734.db2.gz LTALXOBTURMFER-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185626 844719063 /nfs/dbraw/zinc/71/90/63/844719063.db2.gz HSEYTEWPMDROQD-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438670 844759262 /nfs/dbraw/zinc/75/92/62/844759262.db2.gz VTZDEXFLQUQRKO-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438670 844759267 /nfs/dbraw/zinc/75/92/67/844759267.db2.gz VTZDEXFLQUQRKO-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438670 844759279 /nfs/dbraw/zinc/75/92/79/844759279.db2.gz VTZDEXFLQUQRKO-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103443984 844760847 /nfs/dbraw/zinc/76/08/47/844760847.db2.gz VNYPONMYEPLDNA-OAGGEKHMSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497564 844768363 /nfs/dbraw/zinc/76/83/63/844768363.db2.gz MIFUVJWHDFBWMJ-NVXWUHKLSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536824 844776331 /nfs/dbraw/zinc/77/63/31/844776331.db2.gz FEPOMAQGIXWZIR-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536824 844776334 /nfs/dbraw/zinc/77/63/34/844776334.db2.gz FEPOMAQGIXWZIR-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP COC[C@H](NC(=O)[C@H]1CC12CC[NH+](CCC[NH+](C)C)CC2)C(=O)OC ZINC001276609926 861497702 /nfs/dbraw/zinc/49/77/02/861497702.db2.gz NADSJIMUZOBLFD-CABCVRRESA-N 2 1 355.479 0.344 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642081 844794128 /nfs/dbraw/zinc/79/41/28/844794128.db2.gz PZQNJUXGJWTQKQ-HZPDHXFCSA-N 2 1 356.511 0.117 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644586 844794258 /nfs/dbraw/zinc/79/42/58/844794258.db2.gz HBTXQYDBQDTNAH-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644586 844794264 /nfs/dbraw/zinc/79/42/64/844794264.db2.gz HBTXQYDBQDTNAH-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644586 844794270 /nfs/dbraw/zinc/79/42/70/844794270.db2.gz HBTXQYDBQDTNAH-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752486 844816213 /nfs/dbraw/zinc/81/62/13/844816213.db2.gz IGDFKIKYWMWXHP-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276629966 861504898 /nfs/dbraw/zinc/50/48/98/861504898.db2.gz HZSNJIRCRISVPC-QZTJIDSGSA-N 3 1 351.539 0.251 20 0 FCADMP CN1CCN(CCC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001276629966 861504904 /nfs/dbraw/zinc/50/49/04/861504904.db2.gz HZSNJIRCRISVPC-QZTJIDSGSA-N 2 1 351.539 0.251 20 0 FCADMP CN1CCN(CCC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001276629966 861504918 /nfs/dbraw/zinc/50/49/18/861504918.db2.gz HZSNJIRCRISVPC-QZTJIDSGSA-N 2 1 351.539 0.251 20 0 FCADMP CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630364 861507721 /nfs/dbraw/zinc/50/77/21/861507721.db2.gz PKRMYQDHIFFBOG-QFBILLFUSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104676643 844931581 /nfs/dbraw/zinc/93/15/81/844931581.db2.gz SHHQUBCQIGWEDE-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908470 844958774 /nfs/dbraw/zinc/95/87/74/844958774.db2.gz XZCHCXYXSGKKGH-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007757 844968932 /nfs/dbraw/zinc/96/89/32/844968932.db2.gz FNHGXYKSDLISAC-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001105064203 844976574 /nfs/dbraw/zinc/97/65/74/844976574.db2.gz CFECMTGJIUONEB-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001105067259 844977174 /nfs/dbraw/zinc/97/71/74/844977174.db2.gz UFMMKHPZNDCHRS-HZPDHXFCSA-N 2 1 353.511 0.426 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105669047 845015606 /nfs/dbraw/zinc/01/56/06/845015606.db2.gz OXJNYOAQWJIYFZ-ZAWLATJESA-N 2 1 355.523 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105945032 845063999 /nfs/dbraw/zinc/06/39/99/845063999.db2.gz IPIBDPKCIDVWGH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001105945351 845064833 /nfs/dbraw/zinc/06/48/33/845064833.db2.gz UKQTYTNGDKWPCI-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106248028 845143236 /nfs/dbraw/zinc/14/32/36/845143236.db2.gz HKHJLWUNCBFDTC-FGTMMUONSA-N 2 1 355.523 0.657 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106271647 845146263 /nfs/dbraw/zinc/14/62/63/845146263.db2.gz JXLCGWLZRHEXMR-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001106354130 845161137 /nfs/dbraw/zinc/16/11/37/845161137.db2.gz NEZDBNWGAUDVPV-BZPMIXESSA-N 2 1 351.451 0.298 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581482 845200341 /nfs/dbraw/zinc/20/03/41/845200341.db2.gz FICBYXGSCHBAHG-LTIDMASMSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581462 845200369 /nfs/dbraw/zinc/20/03/69/845200369.db2.gz DQIIYMFENCMBOU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106664861 845218819 /nfs/dbraw/zinc/21/88/19/845218819.db2.gz AKQBJXBHNQARMK-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106665318 845219391 /nfs/dbraw/zinc/21/93/91/845219391.db2.gz SEDDJCFVTSWMCH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666855 845220078 /nfs/dbraw/zinc/22/00/78/845220078.db2.gz XELHPKSIEUIFSN-GVDBMIGSSA-N 2 1 352.523 0.785 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668427 845220399 /nfs/dbraw/zinc/22/03/99/845220399.db2.gz KEGXJUZSKLOYEE-HZPDHXFCSA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CCOCC1CC1 ZINC001106767847 845248611 /nfs/dbraw/zinc/24/86/11/845248611.db2.gz WHPLNDHLAGVEAB-SJLPKXTDSA-N 2 1 353.507 0.819 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1 ZINC001106905955 845282905 /nfs/dbraw/zinc/28/29/05/845282905.db2.gz PMESJHZEJLMIRL-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2nnnn2C)[C@H](C)C1 ZINC001106905290 845282941 /nfs/dbraw/zinc/28/29/41/845282941.db2.gz JANMLRDPHMSHAS-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106908319 845284595 /nfs/dbraw/zinc/28/45/95/845284595.db2.gz WIZSZIZACCBXNS-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106981434 845300293 /nfs/dbraw/zinc/30/02/93/845300293.db2.gz NVPAZGWKDWFXPM-HYVNUMGLSA-N 2 1 350.507 0.491 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106985959 845301174 /nfs/dbraw/zinc/30/11/74/845301174.db2.gz ARTYIPZDKFOOAV-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C2)C1 ZINC001107009495 845309319 /nfs/dbraw/zinc/30/93/19/845309319.db2.gz SSBAGGZMKQSKMM-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C2)C1 ZINC001107009495 845309331 /nfs/dbraw/zinc/30/93/31/845309331.db2.gz SSBAGGZMKQSKMM-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2)C1CC1 ZINC001107438830 845373598 /nfs/dbraw/zinc/37/35/98/845373598.db2.gz JSEZOZBBXOSHCT-SOLBZPMBSA-N 2 1 371.547 0.732 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2)C1CC1 ZINC001107438830 845373609 /nfs/dbraw/zinc/37/36/09/845373609.db2.gz JSEZOZBBXOSHCT-SOLBZPMBSA-N 2 1 371.547 0.732 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534122 845394448 /nfs/dbraw/zinc/39/44/48/845394448.db2.gz YKXCXSZFINIYRC-DODZYUBVSA-N 2 1 355.523 0.941 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N1CCC1)CC2 ZINC001107614676 845408958 /nfs/dbraw/zinc/40/89/58/845408958.db2.gz HCNWSEXOMUQCEQ-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107614676 845408962 /nfs/dbraw/zinc/40/89/62/845408962.db2.gz HCNWSEXOMUQCEQ-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107614676 845408968 /nfs/dbraw/zinc/40/89/68/845408968.db2.gz HCNWSEXOMUQCEQ-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633342 845411904 /nfs/dbraw/zinc/41/19/04/845411904.db2.gz RISBAOWUDQQYRA-SJLPKXTDSA-N 2 1 371.547 0.878 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCC3CC3)CCO2)CC[N@@H+]1C ZINC001107953178 845419399 /nfs/dbraw/zinc/41/93/99/845419399.db2.gz UCAHDWNUSFFGFN-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCC3CC3)CCO2)CC[N@H+]1C ZINC001107953178 845419402 /nfs/dbraw/zinc/41/94/02/845419402.db2.gz UCAHDWNUSFFGFN-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CCOCC3CC3)CCO2)CC[NH+]1C ZINC001107953178 845419407 /nfs/dbraw/zinc/41/94/07/845419407.db2.gz UCAHDWNUSFFGFN-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCOCC3CC3)CCO2)CC[NH+]1C ZINC001107953178 845419410 /nfs/dbraw/zinc/41/94/10/845419410.db2.gz UCAHDWNUSFFGFN-SZVBFZGTSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305605 845617886 /nfs/dbraw/zinc/61/78/86/845617886.db2.gz LJMISBHOKRBBFA-MTSZKFMLSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305605 845617890 /nfs/dbraw/zinc/61/78/90/845617890.db2.gz LJMISBHOKRBBFA-MTSZKFMLSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305605 845617894 /nfs/dbraw/zinc/61/78/94/845617894.db2.gz LJMISBHOKRBBFA-MTSZKFMLSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305605 845617898 /nfs/dbraw/zinc/61/78/98/845617898.db2.gz LJMISBHOKRBBFA-MTSZKFMLSA-N 2 1 350.507 0.915 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402071 845645483 /nfs/dbraw/zinc/64/54/83/845645483.db2.gz HJINWWBETARJDN-CVYDXHPNSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402071 845645489 /nfs/dbraw/zinc/64/54/89/845645489.db2.gz HJINWWBETARJDN-CVYDXHPNSA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CCCC1 ZINC001109565241 845690014 /nfs/dbraw/zinc/69/00/14/845690014.db2.gz GJTVWCKBRUSBSM-IKGGRYGDSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001109688615 845714184 /nfs/dbraw/zinc/71/41/84/845714184.db2.gz XZOWNRXBUXALHE-MUQADHOPSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001109688615 845714187 /nfs/dbraw/zinc/71/41/87/845714187.db2.gz XZOWNRXBUXALHE-MUQADHOPSA-N 2 1 350.507 0.917 20 0 FCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001109724360 845723168 /nfs/dbraw/zinc/72/31/68/845723168.db2.gz ONFFTQXSAUEACC-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001109724360 845723175 /nfs/dbraw/zinc/72/31/75/845723175.db2.gz ONFFTQXSAUEACC-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001109724360 845723179 /nfs/dbraw/zinc/72/31/79/845723179.db2.gz ONFFTQXSAUEACC-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)CC(C)(C)C ZINC001109724360 845723184 /nfs/dbraw/zinc/72/31/84/845723184.db2.gz ONFFTQXSAUEACC-PMPSAXMXSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109734122 845724187 /nfs/dbraw/zinc/72/41/87/845724187.db2.gz MOMJTOMCRCDSOZ-QPSCCSFWSA-N 2 1 350.463 0.197 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001109734122 845724194 /nfs/dbraw/zinc/72/41/94/845724194.db2.gz MOMJTOMCRCDSOZ-QPSCCSFWSA-N 2 1 350.463 0.197 20 0 FCADMP CCS(=O)(=O)CC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276772694 861599942 /nfs/dbraw/zinc/59/99/42/861599942.db2.gz RISBLTXGZDOSRU-QGZVFWFLSA-N 2 1 359.536 0.687 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1 ZINC001109848060 845747265 /nfs/dbraw/zinc/74/72/65/845747265.db2.gz UBCVYAAZHGTOSX-SQNIBIBYSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCOCC1 ZINC001109848060 845747269 /nfs/dbraw/zinc/74/72/69/845747269.db2.gz UBCVYAAZHGTOSX-SQNIBIBYSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCCO1 ZINC001109848126 845747330 /nfs/dbraw/zinc/74/73/30/845747330.db2.gz XTFQPFMSYWQWJI-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCCO1 ZINC001109848126 845747332 /nfs/dbraw/zinc/74/73/32/845747332.db2.gz XTFQPFMSYWQWJI-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001109918388 845760523 /nfs/dbraw/zinc/76/05/23/845760523.db2.gz FNNJZKLMGNJASO-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001110020749 845776298 /nfs/dbraw/zinc/77/62/98/845776298.db2.gz MMYJJXXZNWYBEY-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001110020749 845776300 /nfs/dbraw/zinc/77/63/00/845776300.db2.gz MMYJJXXZNWYBEY-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001110020749 845776309 /nfs/dbraw/zinc/77/63/09/845776309.db2.gz MMYJJXXZNWYBEY-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001110020749 845776318 /nfs/dbraw/zinc/77/63/18/845776318.db2.gz MMYJJXXZNWYBEY-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001110019180 845777267 /nfs/dbraw/zinc/77/72/67/845777267.db2.gz JOSVZVUZIMGDHP-CRWXNKLISA-N 2 1 353.467 0.023 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001110019180 845777270 /nfs/dbraw/zinc/77/72/70/845777270.db2.gz JOSVZVUZIMGDHP-CRWXNKLISA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001110019180 845777276 /nfs/dbraw/zinc/77/72/76/845777276.db2.gz JOSVZVUZIMGDHP-CRWXNKLISA-N 2 1 353.467 0.023 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001110019180 845777279 /nfs/dbraw/zinc/77/72/79/845777279.db2.gz JOSVZVUZIMGDHP-CRWXNKLISA-N 2 1 353.467 0.023 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001110017599 845778080 /nfs/dbraw/zinc/77/80/80/845778080.db2.gz DIWAJCSVMMRFAZ-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001110017599 845778084 /nfs/dbraw/zinc/77/80/84/845778084.db2.gz DIWAJCSVMMRFAZ-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001110017599 845778091 /nfs/dbraw/zinc/77/80/91/845778091.db2.gz DIWAJCSVMMRFAZ-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159316 845808096 /nfs/dbraw/zinc/80/80/96/845808096.db2.gz KKNZOCLPQQOZFG-PMPSAXMXSA-N 2 1 374.551 0.378 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159316 845808098 /nfs/dbraw/zinc/80/80/98/845808098.db2.gz KKNZOCLPQQOZFG-PMPSAXMXSA-N 2 1 374.551 0.378 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159316 845808101 /nfs/dbraw/zinc/80/81/01/845808101.db2.gz KKNZOCLPQQOZFG-PMPSAXMXSA-N 2 1 374.551 0.378 20 0 FCADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159316 845808103 /nfs/dbraw/zinc/80/81/03/845808103.db2.gz KKNZOCLPQQOZFG-PMPSAXMXSA-N 2 1 374.551 0.378 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001110159808 845809102 /nfs/dbraw/zinc/80/91/02/845809102.db2.gz XMOFWMKUQMINFP-YVSFHVDLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110159808 845809107 /nfs/dbraw/zinc/80/91/07/845809107.db2.gz XMOFWMKUQMINFP-YVSFHVDLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110159808 845809109 /nfs/dbraw/zinc/80/91/09/845809109.db2.gz XMOFWMKUQMINFP-YVSFHVDLSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001276794873 861611545 /nfs/dbraw/zinc/61/15/45/861611545.db2.gz CGCGIVYRYZPFKI-MRXNPFEDSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](C[C@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798139 861612923 /nfs/dbraw/zinc/61/29/23/861612923.db2.gz AYKDBNXPTOTROQ-YJBOKZPZSA-N 2 1 357.495 0.027 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CCCC1 ZINC001110862265 845985917 /nfs/dbraw/zinc/98/59/17/845985917.db2.gz GJTVWCKBRUSBSM-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959511 846001784 /nfs/dbraw/zinc/00/17/84/846001784.db2.gz ODAZJECBWUZENV-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961194 846002635 /nfs/dbraw/zinc/00/26/35/846002635.db2.gz VTALXPKQWQWTBX-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110959706 846002655 /nfs/dbraw/zinc/00/26/55/846002655.db2.gz XYRXPQTVXNYHBR-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110959706 846002657 /nfs/dbraw/zinc/00/26/57/846002657.db2.gz XYRXPQTVXNYHBR-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110981499 846007500 /nfs/dbraw/zinc/00/75/00/846007500.db2.gz SYVHYTZVYCFEHS-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110981499 846007502 /nfs/dbraw/zinc/00/75/02/846007502.db2.gz SYVHYTZVYCFEHS-JJXSEGSLSA-N 2 1 357.520 0.484 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCO1 ZINC001111151766 846048612 /nfs/dbraw/zinc/04/86/12/846048612.db2.gz JFDREIZLYHKJIX-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCO1 ZINC001111151766 846048615 /nfs/dbraw/zinc/04/86/15/846048615.db2.gz JFDREIZLYHKJIX-XDNAFOTISA-N 2 1 351.491 0.999 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111150956 846049552 /nfs/dbraw/zinc/04/95/52/846049552.db2.gz YZAMMPGYANRTIA-ZACQAIPSSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111150956 846049556 /nfs/dbraw/zinc/04/95/56/846049556.db2.gz YZAMMPGYANRTIA-ZACQAIPSSA-N 2 1 350.463 0.702 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001111171589 846052955 /nfs/dbraw/zinc/05/29/55/846052955.db2.gz KIKLQFTUQCCHIY-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCOC2)CC1 ZINC001111197088 846060087 /nfs/dbraw/zinc/06/00/87/846060087.db2.gz HSDZPYYKAAEQBK-IDCNUPLLSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccns1 ZINC001111279543 846076699 /nfs/dbraw/zinc/07/66/99/846076699.db2.gz DSCKTRYECUPXEN-BMFZPTHFSA-N 2 1 352.504 0.985 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001111307674 846081755 /nfs/dbraw/zinc/08/17/55/846081755.db2.gz QTPSSTLRFQHIAF-KBXIAJHMSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001111307674 846081759 /nfs/dbraw/zinc/08/17/59/846081759.db2.gz QTPSSTLRFQHIAF-KBXIAJHMSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111307674 846081766 /nfs/dbraw/zinc/08/17/66/846081766.db2.gz QTPSSTLRFQHIAF-KBXIAJHMSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111307674 846081773 /nfs/dbraw/zinc/08/17/73/846081773.db2.gz QTPSSTLRFQHIAF-KBXIAJHMSA-N 2 1 350.463 0.245 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111312303 846084165 /nfs/dbraw/zinc/08/41/65/846084165.db2.gz AAXLXYULKVJIHO-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111312303 846084171 /nfs/dbraw/zinc/08/41/71/846084171.db2.gz AAXLXYULKVJIHO-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111312303 846084176 /nfs/dbraw/zinc/08/41/76/846084176.db2.gz AAXLXYULKVJIHO-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111312303 846084181 /nfs/dbraw/zinc/08/41/81/846084181.db2.gz AAXLXYULKVJIHO-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861223 846233539 /nfs/dbraw/zinc/23/35/39/846233539.db2.gz CCQSSOMZDFXQKD-YJBOKZPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861223 846233550 /nfs/dbraw/zinc/23/35/50/846233550.db2.gz CCQSSOMZDFXQKD-YJBOKZPZSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC001111861239 846235849 /nfs/dbraw/zinc/23/58/49/846235849.db2.gz CTRPKYTWDZSQTB-KXBFYZLASA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2)[NH+](C)C ZINC001111875056 846242511 /nfs/dbraw/zinc/24/25/11/846242511.db2.gz OSJZHWQIBRHUHM-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2)[NH+](C)C ZINC001111875056 846242519 /nfs/dbraw/zinc/24/25/19/846242519.db2.gz OSJZHWQIBRHUHM-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902609 846253329 /nfs/dbraw/zinc/25/33/29/846253329.db2.gz KLGSHIJWBDVUJO-AOIWGVFYSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902609 846253339 /nfs/dbraw/zinc/25/33/39/846253339.db2.gz KLGSHIJWBDVUJO-AOIWGVFYSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902610 846253414 /nfs/dbraw/zinc/25/34/14/846253414.db2.gz KLGSHIJWBDVUJO-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902610 846253418 /nfs/dbraw/zinc/25/34/18/846253418.db2.gz KLGSHIJWBDVUJO-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111950938 846272144 /nfs/dbraw/zinc/27/21/44/846272144.db2.gz KQLVQXUBAPRRCW-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111950938 846272157 /nfs/dbraw/zinc/27/21/57/846272157.db2.gz KQLVQXUBAPRRCW-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111950938 846272167 /nfs/dbraw/zinc/27/21/67/846272167.db2.gz KQLVQXUBAPRRCW-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111950938 846272180 /nfs/dbraw/zinc/27/21/80/846272180.db2.gz KQLVQXUBAPRRCW-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983533 846279652 /nfs/dbraw/zinc/27/96/52/846279652.db2.gz MMFIZLPYIAMKPS-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983533 846279666 /nfs/dbraw/zinc/27/96/66/846279666.db2.gz MMFIZLPYIAMKPS-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983533 846279677 /nfs/dbraw/zinc/27/96/77/846279677.db2.gz MMFIZLPYIAMKPS-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983533 846279687 /nfs/dbraw/zinc/27/96/87/846279687.db2.gz MMFIZLPYIAMKPS-BXWFABGCSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCCN(C)C1=O)C2 ZINC001112009897 846293948 /nfs/dbraw/zinc/29/39/48/846293948.db2.gz ZFSPSZBGWHEGPS-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001112009897 846293957 /nfs/dbraw/zinc/29/39/57/846293957.db2.gz ZFSPSZBGWHEGPS-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001112009897 846293966 /nfs/dbraw/zinc/29/39/66/846293966.db2.gz ZFSPSZBGWHEGPS-BXWFABGCSA-N 2 1 350.507 0.918 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112071014 846348809 /nfs/dbraw/zinc/34/88/09/846348809.db2.gz NUTDXXAZSKVPCV-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070997 846349091 /nfs/dbraw/zinc/34/90/91/846349091.db2.gz NJDPFGQQGMJBDZ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112070997 846349102 /nfs/dbraw/zinc/34/91/02/846349102.db2.gz NJDPFGQQGMJBDZ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113510 846394718 /nfs/dbraw/zinc/39/47/18/846394718.db2.gz XXVBUOYXGYZSQV-IJLUTSLNSA-N 2 1 364.412 0.584 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001112118202 846397110 /nfs/dbraw/zinc/39/71/10/846397110.db2.gz YGJRAKHSSCSWLK-BZPMIXESSA-N 2 1 366.428 0.640 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112154511 846422186 /nfs/dbraw/zinc/42/21/86/846422186.db2.gz OTWLRWBHIVJXDC-GMTAPVOTSA-N 2 1 350.385 0.181 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112158126 846424257 /nfs/dbraw/zinc/42/42/57/846424257.db2.gz UWPLGKNKPIQYHA-CHWSQXEVSA-N 2 1 364.412 0.395 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160007 846425771 /nfs/dbraw/zinc/42/57/71/846425771.db2.gz MPHOCFPZNBIMHM-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159894 846425901 /nfs/dbraw/zinc/42/59/01/846425901.db2.gz GNAAJZSPPNYOJT-CHWSQXEVSA-N 2 1 366.428 0.689 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1)[NH+](CC)CC ZINC001112165237 846429549 /nfs/dbraw/zinc/42/95/49/846429549.db2.gz XPVXJMHLJZGOBP-UPJWGTAASA-N 2 1 366.428 0.832 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178864 846439366 /nfs/dbraw/zinc/43/93/66/846439366.db2.gz IEMJSSAXEPMWQK-ZIAGYGMSSA-N 2 1 367.412 0.724 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112190199 846449316 /nfs/dbraw/zinc/44/93/16/846449316.db2.gz PGYWIKZUBQLAIR-GRYCIOLGSA-N 2 1 350.385 0.196 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112190199 846449323 /nfs/dbraw/zinc/44/93/23/846449323.db2.gz PGYWIKZUBQLAIR-GRYCIOLGSA-N 2 1 350.385 0.196 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112193068 846451249 /nfs/dbraw/zinc/45/12/49/846451249.db2.gz IWDCZXXPFCCYES-QJPTWQEYSA-N 2 1 362.396 0.196 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194025 846452457 /nfs/dbraw/zinc/45/24/57/846452457.db2.gz IRBPAOUIXAPTPI-QJPTWQEYSA-N 2 1 350.385 0.053 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194025 846452461 /nfs/dbraw/zinc/45/24/61/846452461.db2.gz IRBPAOUIXAPTPI-QJPTWQEYSA-N 2 1 350.385 0.053 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112196656 846455393 /nfs/dbraw/zinc/45/53/93/846455393.db2.gz XFIDYBYUUFVAKE-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112196636 846455722 /nfs/dbraw/zinc/45/57/22/846455722.db2.gz WHQMGTCOOIGIBA-IJLUTSLNSA-N 2 1 352.401 0.571 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112196636 846455733 /nfs/dbraw/zinc/45/57/33/846455733.db2.gz WHQMGTCOOIGIBA-IJLUTSLNSA-N 2 1 352.401 0.571 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112198116 846457187 /nfs/dbraw/zinc/45/71/87/846457187.db2.gz BIEXTHNIGBFOBA-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112198116 846457190 /nfs/dbraw/zinc/45/71/90/846457190.db2.gz BIEXTHNIGBFOBA-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112210992 846467720 /nfs/dbraw/zinc/46/77/20/846467720.db2.gz QUISKXJBOZMPGB-JHJVBQTASA-N 2 1 364.412 0.715 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285030 846487844 /nfs/dbraw/zinc/48/78/44/846487844.db2.gz JGOSHVJPYHELMP-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112428424 846503213 /nfs/dbraw/zinc/50/32/13/846503213.db2.gz HJRJJCLDUPGSCR-SCTDSRPQSA-N 2 1 353.507 0.698 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112436998 846504800 /nfs/dbraw/zinc/50/48/00/846504800.db2.gz RPSCRNLYZTXLTL-BXWFABGCSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2)C(N)=O ZINC001112530047 846516348 /nfs/dbraw/zinc/51/63/48/846516348.db2.gz AJCHIBOQWHEDJM-DOXZYTNZSA-N 2 1 350.507 0.810 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001116876746 846792142 /nfs/dbraw/zinc/79/21/42/846792142.db2.gz DHKIRGKHNQGSPP-MRXNPFEDSA-N 2 1 369.535 0.920 20 0 FCADMP [NH3+]CCc1nc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC001119377701 847827866 /nfs/dbraw/zinc/82/78/66/847827866.db2.gz RETXKCIRDCFEHV-CQSZACIVSA-N 2 1 367.519 0.171 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001119467802 847853069 /nfs/dbraw/zinc/85/30/69/847853069.db2.gz CRIJBHMRXOROTF-MAUKXSAKSA-N 2 1 351.495 0.561 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556238 848240746 /nfs/dbraw/zinc/24/07/46/848240746.db2.gz RWYZUNZGEDLKSB-CVEARBPZSA-N 2 1 352.479 0.404 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001120602489 848251030 /nfs/dbraw/zinc/25/10/30/848251030.db2.gz HTDZMNFPIZPMBG-IAGOWNOFSA-N 2 1 353.438 0.628 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810717 848397776 /nfs/dbraw/zinc/39/77/76/848397776.db2.gz NSSTTZSCXNAGOV-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001121945352 848422475 /nfs/dbraw/zinc/42/24/75/848422475.db2.gz IVLBNQKNPVHPOP-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1C[NH2+]CCN1C ZINC001121945355 848422626 /nfs/dbraw/zinc/42/26/26/848422626.db2.gz IVLBNQKNPVHPOP-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCc1nc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001127639405 848730802 /nfs/dbraw/zinc/73/08/02/848730802.db2.gz ZZJSUBJPCXOQLW-DGCLKSJQSA-N 2 1 367.519 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001127689877 848733225 /nfs/dbraw/zinc/73/32/25/848733225.db2.gz AFABLRHVWUXRON-DGCLKSJQSA-N 2 1 354.401 0.949 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049052 848799138 /nfs/dbraw/zinc/79/91/38/848799138.db2.gz PTSSKFWODDJLDR-ZNMIVQPWSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049052 848799144 /nfs/dbraw/zinc/79/91/44/848799144.db2.gz PTSSKFWODDJLDR-ZNMIVQPWSA-N 2 1 350.467 0.139 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205008 848818225 /nfs/dbraw/zinc/81/82/25/848818225.db2.gz NYQLSJCSWZPOLY-OAGGEKHMSA-N 2 1 352.483 0.122 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267195 848824286 /nfs/dbraw/zinc/82/42/86/848824286.db2.gz YCBAAEBSGPHQBZ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369557 848835388 /nfs/dbraw/zinc/83/53/88/848835388.db2.gz ABXDTJAXEYLXSM-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369557 848835391 /nfs/dbraw/zinc/83/53/91/848835391.db2.gz ABXDTJAXEYLXSM-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129369557 848835393 /nfs/dbraw/zinc/83/53/93/848835393.db2.gz ABXDTJAXEYLXSM-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393575 848838883 /nfs/dbraw/zinc/83/88/83/848838883.db2.gz OEULCBVUAGGDCW-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400698 848840214 /nfs/dbraw/zinc/84/02/14/848840214.db2.gz XKIHSTGTRFZVOO-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400698 848840217 /nfs/dbraw/zinc/84/02/17/848840217.db2.gz XKIHSTGTRFZVOO-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400698 848840222 /nfs/dbraw/zinc/84/02/22/848840222.db2.gz XKIHSTGTRFZVOO-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684244 848881458 /nfs/dbraw/zinc/88/14/58/848881458.db2.gz GPWFUHSTPMNGPP-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129685697 848881762 /nfs/dbraw/zinc/88/17/62/848881762.db2.gz SEVINKJXSNZELH-UPJWGTAASA-N 2 1 360.384 0.666 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129910048 848912906 /nfs/dbraw/zinc/91/29/06/848912906.db2.gz ACADGROWBSBHQJ-IGSLQNPTSA-N 2 1 352.870 0.856 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910460 848914459 /nfs/dbraw/zinc/91/44/59/848914459.db2.gz UNTVRNDMVVBINY-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130047756 848936303 /nfs/dbraw/zinc/93/63/03/848936303.db2.gz RHJLYXHLSAZBRR-CABCVRRESA-N 2 1 363.491 0.618 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130081547 848941785 /nfs/dbraw/zinc/94/17/85/848941785.db2.gz VBYZZYVHOGUOCR-OLZOCXBDSA-N 2 1 362.400 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)O1 ZINC001130182661 848962169 /nfs/dbraw/zinc/96/21/69/848962169.db2.gz RPZDGHSKXLLAEG-KBRIMQKVSA-N 2 1 353.438 0.154 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)O1 ZINC001130182661 848962174 /nfs/dbraw/zinc/96/21/74/848962174.db2.gz RPZDGHSKXLLAEG-KBRIMQKVSA-N 2 1 353.438 0.154 20 0 FCADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184456 848963381 /nfs/dbraw/zinc/96/33/81/848963381.db2.gz RGQIANDITOOYBY-ARFHVFGLSA-N 2 1 356.511 0.304 20 0 FCADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184456 848963386 /nfs/dbraw/zinc/96/33/86/848963386.db2.gz RGQIANDITOOYBY-ARFHVFGLSA-N 2 1 356.511 0.304 20 0 FCADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n[nH]1 ZINC001130235190 848983318 /nfs/dbraw/zinc/98/33/18/848983318.db2.gz XLGSMAYBQDPTAI-LOKFXGJOSA-N 2 1 370.885 0.587 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n1 ZINC001130235190 848983322 /nfs/dbraw/zinc/98/33/22/848983322.db2.gz XLGSMAYBQDPTAI-LOKFXGJOSA-N 2 1 370.885 0.587 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234955 848983895 /nfs/dbraw/zinc/98/38/95/848983895.db2.gz QWZDSSHASHABQW-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234955 848983902 /nfs/dbraw/zinc/98/39/02/848983902.db2.gz QWZDSSHASHABQW-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1)[NH+](C)C ZINC001130238191 848984275 /nfs/dbraw/zinc/98/42/75/848984275.db2.gz YFFXTGRUTFLUPA-IHRRRGAJSA-N 2 1 352.483 0.632 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130247008 848986383 /nfs/dbraw/zinc/98/63/83/848986383.db2.gz QMKXHBGXHFJNJC-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001130247008 848986388 /nfs/dbraw/zinc/98/63/88/848986388.db2.gz QMKXHBGXHFJNJC-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130247008 848986392 /nfs/dbraw/zinc/98/63/92/848986392.db2.gz QMKXHBGXHFJNJC-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130247008 848986398 /nfs/dbraw/zinc/98/63/98/848986398.db2.gz QMKXHBGXHFJNJC-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130247008 848986406 /nfs/dbraw/zinc/98/64/06/848986406.db2.gz QMKXHBGXHFJNJC-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130246687 848986651 /nfs/dbraw/zinc/98/66/51/848986651.db2.gz MUSKNHWPOHHMJQ-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130246687 848986658 /nfs/dbraw/zinc/98/66/58/848986658.db2.gz MUSKNHWPOHHMJQ-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130246687 848986665 /nfs/dbraw/zinc/98/66/65/848986665.db2.gz MUSKNHWPOHHMJQ-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130246687 848986670 /nfs/dbraw/zinc/98/66/70/848986670.db2.gz MUSKNHWPOHHMJQ-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130246687 848986672 /nfs/dbraw/zinc/98/66/72/848986672.db2.gz MUSKNHWPOHHMJQ-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2nccs2)c1 ZINC001130670435 849026384 /nfs/dbraw/zinc/02/63/84/849026384.db2.gz YGLWDKFWETXRAX-DZGCQCFKSA-N 2 1 362.503 0.913 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C/C=C/Cl)O2)n1 ZINC001130805403 849046794 /nfs/dbraw/zinc/04/67/94/849046794.db2.gz ZZCZJVNRISTYPG-XBFYPFSCSA-N 2 1 370.885 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](C(C)C)C[C@H]32)C1 ZINC001131316275 849094764 /nfs/dbraw/zinc/09/47/64/849094764.db2.gz DBDVORQTHMTFNO-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001131316275 849094768 /nfs/dbraw/zinc/09/47/68/849094768.db2.gz DBDVORQTHMTFNO-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131316275 849094771 /nfs/dbraw/zinc/09/47/71/849094771.db2.gz DBDVORQTHMTFNO-XHSDSOJGSA-N 2 1 352.479 0.843 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001131528428 849119076 /nfs/dbraw/zinc/11/90/76/849119076.db2.gz WKJGGGZVZJYXJY-AEFFLSMTSA-N 2 1 350.463 0.824 20 0 FCADMP CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147582920 849585173 /nfs/dbraw/zinc/58/51/73/849585173.db2.gz JFRMCMYRQJNFIM-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147582920 849585181 /nfs/dbraw/zinc/58/51/81/849585181.db2.gz JFRMCMYRQJNFIM-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001147582920 849585188 /nfs/dbraw/zinc/58/51/88/849585188.db2.gz JFRMCMYRQJNFIM-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147582920 849585194 /nfs/dbraw/zinc/58/51/94/849585194.db2.gz JFRMCMYRQJNFIM-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)CC)C3)CC[N@H+]1C ZINC001147583496 849586506 /nfs/dbraw/zinc/58/65/06/849586506.db2.gz RSGXAAYCOJARIC-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)CC)C3)CC[NH+]1C ZINC001147583496 849586510 /nfs/dbraw/zinc/58/65/10/849586510.db2.gz RSGXAAYCOJARIC-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)CC)C3)CC[NH+]1C ZINC001147583496 849586520 /nfs/dbraw/zinc/58/65/20/849586520.db2.gz RSGXAAYCOJARIC-JKSUJKDBSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@]1(O)CCOC1 ZINC001148799571 849618822 /nfs/dbraw/zinc/61/88/22/849618822.db2.gz KBXDGULTQLKACS-LJQANCHMSA-N 2 1 353.507 0.793 20 0 FCADMP CCOCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881387 849649292 /nfs/dbraw/zinc/64/92/92/849649292.db2.gz MKYFICJEBGDEJH-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881387 849649297 /nfs/dbraw/zinc/64/92/97/849649297.db2.gz MKYFICJEBGDEJH-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881387 849649300 /nfs/dbraw/zinc/64/93/00/849649300.db2.gz MKYFICJEBGDEJH-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881387 849649304 /nfs/dbraw/zinc/64/93/04/849649304.db2.gz MKYFICJEBGDEJH-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3nc(Cl)ncc3N3CCOCC3)C2)C1 ZINC001155375964 849850516 /nfs/dbraw/zinc/85/05/16/849850516.db2.gz JHYLQSTVLWBCAP-AWEZNQCLSA-N 2 1 366.897 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCc2ccco2)CC[N@H+]1C ZINC001158379577 850041194 /nfs/dbraw/zinc/04/11/94/850041194.db2.gz CPRMAQHWJNTONU-HLLBOEOZSA-N 2 1 353.463 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001158380350 850042607 /nfs/dbraw/zinc/04/26/07/850042607.db2.gz QNBKZAMZOKJYCT-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC)CC[N@H+]1C ZINC001158411336 850048190 /nfs/dbraw/zinc/04/81/90/850048190.db2.gz CRIVEKLLKXEEHS-OWCLPIDISA-N 2 1 356.511 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C2CC2)C2CC2)CC[N@H+]1C ZINC001158428500 850048852 /nfs/dbraw/zinc/04/88/52/850048852.db2.gz GTDGHLUYYGXMKC-CZUORRHYSA-N 2 1 350.507 0.727 20 0 FCADMP Cc1nc(CN2C(=O)CCC23CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)cs1 ZINC001158842962 850081364 /nfs/dbraw/zinc/08/13/64/850081364.db2.gz QHLRHFSBVNLOSM-AWEZNQCLSA-N 2 1 365.503 0.611 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903089 850083720 /nfs/dbraw/zinc/08/37/20/850083720.db2.gz MGOUMZHTYPZGMZ-DYVFJYSZSA-N 3 1 351.426 0.013 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)C2 ZINC001159481357 850117787 /nfs/dbraw/zinc/11/77/87/850117787.db2.gz LYMUYBFNZJEGGL-BHIYHBOVSA-N 2 1 350.507 0.274 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001159633800 850125763 /nfs/dbraw/zinc/12/57/63/850125763.db2.gz RJXYBMBSHXLTHL-DOMZBBRYSA-N 2 1 351.451 0.517 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001160175308 850156748 /nfs/dbraw/zinc/15/67/48/850156748.db2.gz LFBANPBSBZVUAI-NVXWUHKLSA-N 2 1 371.547 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001160175308 850156754 /nfs/dbraw/zinc/15/67/54/850156754.db2.gz LFBANPBSBZVUAI-NVXWUHKLSA-N 2 1 371.547 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001160175308 850156759 /nfs/dbraw/zinc/15/67/59/850156759.db2.gz LFBANPBSBZVUAI-NVXWUHKLSA-N 2 1 371.547 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001160175308 850156765 /nfs/dbraw/zinc/15/67/65/850156765.db2.gz LFBANPBSBZVUAI-NVXWUHKLSA-N 2 1 371.547 0.900 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175356 850157533 /nfs/dbraw/zinc/15/75/33/850157533.db2.gz NNUMXJDLKPFXOU-BFYDXBDKSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175356 850157544 /nfs/dbraw/zinc/15/75/44/850157544.db2.gz NNUMXJDLKPFXOU-BFYDXBDKSA-N 2 1 350.507 0.942 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175356 850157549 /nfs/dbraw/zinc/15/75/49/850157549.db2.gz NNUMXJDLKPFXOU-BFYDXBDKSA-N 2 1 350.507 0.942 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160232359 850160317 /nfs/dbraw/zinc/16/03/17/850160317.db2.gz ZXPIASUFVOYFKC-SWLSCSKDSA-N 2 1 354.405 0.217 20 0 FCADMP Cc1nc(CN2CCO[C@@H]3CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@@H]3C2)cs1 ZINC001160334442 850167491 /nfs/dbraw/zinc/16/74/91/850167491.db2.gz ALJLZCKOQYWESZ-VNQPRFMTSA-N 2 1 367.519 0.177 20 0 FCADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160427675 850172404 /nfs/dbraw/zinc/17/24/04/850172404.db2.gz LVNYFUISTYGOBP-KGLIPLIRSA-N 2 1 351.447 0.231 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cnc(C[NH3+])s3)C[C@H]1C2 ZINC001160799858 850199618 /nfs/dbraw/zinc/19/96/18/850199618.db2.gz LPFINXMXJVPAQS-IDYSPNNHSA-N 2 1 350.444 0.073 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001160862322 850208673 /nfs/dbraw/zinc/20/86/73/850208673.db2.gz NBBWVBKXZYEJHS-FRRDWIJNSA-N 2 1 369.491 0.285 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001160862322 850208686 /nfs/dbraw/zinc/20/86/86/850208686.db2.gz NBBWVBKXZYEJHS-FRRDWIJNSA-N 2 1 369.491 0.285 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H](N)Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001161444723 850260212 /nfs/dbraw/zinc/26/02/12/850260212.db2.gz KPSGBEUUDBEBIF-IRXDYDNUSA-N 2 1 354.445 0.977 20 0 FCADMP COCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162320377 850307857 /nfs/dbraw/zinc/30/78/57/850307857.db2.gz LEZOFWCSJNWSOT-HZPDHXFCSA-N 2 1 357.495 0.197 20 0 FCADMP COCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162320377 850307873 /nfs/dbraw/zinc/30/78/73/850307873.db2.gz LEZOFWCSJNWSOT-HZPDHXFCSA-N 2 1 357.495 0.197 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2nc(Cl)nc3c2CC[NH2+]C3)C1 ZINC001163117465 850355469 /nfs/dbraw/zinc/35/54/69/850355469.db2.gz HHYZAYNCTXJMBG-GFCCVEGCSA-N 2 1 353.854 0.881 20 0 FCADMP Nc1[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1I ZINC001163153111 850357753 /nfs/dbraw/zinc/35/77/53/850357753.db2.gz HNZDBKIZTPFMMR-UFBFGSQYSA-N 2 1 360.199 0.916 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001277834960 862122640 /nfs/dbraw/zinc/12/26/40/862122640.db2.gz KBIGVAOFTMSMKN-SJLPKXTDSA-N 2 1 350.463 0.802 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001164575602 850417197 /nfs/dbraw/zinc/41/71/97/850417197.db2.gz CNCRIDCKHNQRLV-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001164582297 850417250 /nfs/dbraw/zinc/41/72/50/850417250.db2.gz GOMKDVZLNHMITQ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001164575768 850417513 /nfs/dbraw/zinc/41/75/13/850417513.db2.gz GQIAQVRFUHVWDA-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001164582342 850417857 /nfs/dbraw/zinc/41/78/57/850417857.db2.gz IVUVHUKYSOSZDU-BZUAXINKSA-N 2 1 371.547 0.637 20 0 FCADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001168321962 850583014 /nfs/dbraw/zinc/58/30/14/850583014.db2.gz OGGQDXOFCPUBJV-NHHFINERSA-N 2 1 351.491 0.950 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)O1 ZINC001170274103 850648821 /nfs/dbraw/zinc/64/88/21/850648821.db2.gz WDJWJYFYWXJNQY-IIAWOOMASA-N 3 1 350.467 0.541 20 0 FCADMP C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861330 850667833 /nfs/dbraw/zinc/66/78/33/850667833.db2.gz CNQVRWVSOOQETI-BZUAXINKSA-N 2 1 353.511 0.616 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171486905 850686711 /nfs/dbraw/zinc/68/67/11/850686711.db2.gz PZFDQQJQNVVANT-BZUAXINKSA-N 2 1 356.511 0.448 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171486905 850686716 /nfs/dbraw/zinc/68/67/16/850686716.db2.gz PZFDQQJQNVVANT-BZUAXINKSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171499773 850687054 /nfs/dbraw/zinc/68/70/54/850687054.db2.gz HZFVDJJFSFURJR-IIAWOOMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171499773 850687061 /nfs/dbraw/zinc/68/70/61/850687061.db2.gz HZFVDJJFSFURJR-IIAWOOMASA-N 2 1 352.483 0.299 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172530 850707076 /nfs/dbraw/zinc/70/70/76/850707076.db2.gz FKJDOCVBJNZBAW-VSZNYVQBSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172530 850707086 /nfs/dbraw/zinc/70/70/86/850707086.db2.gz FKJDOCVBJNZBAW-VSZNYVQBSA-N 2 1 351.491 0.809 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172172530 850707096 /nfs/dbraw/zinc/70/70/96/850707096.db2.gz FKJDOCVBJNZBAW-VSZNYVQBSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ncc3O)C2)OCC1=O ZINC001278056152 862178005 /nfs/dbraw/zinc/17/80/05/862178005.db2.gz MYJHDPVSCZJMSA-KRWDZBQOSA-N 2 1 368.865 0.806 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001178523178 850905728 /nfs/dbraw/zinc/90/57/28/850905728.db2.gz VQQNDXVXKWCDDY-RBSFLKMASA-N 2 1 352.479 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC3CCC3)[C@@H]2C)CC[N@H+]1C ZINC001178731158 850921229 /nfs/dbraw/zinc/92/12/29/850921229.db2.gz NCYKFDMBUDUZCA-WTTBNOFXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCn2cccn2)O1 ZINC001178811051 850933533 /nfs/dbraw/zinc/93/35/33/850933533.db2.gz PGDIASQHFMIUOL-IAGOWNOFSA-N 2 1 351.495 0.868 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCn2cccn2)O1 ZINC001178811051 850933540 /nfs/dbraw/zinc/93/35/40/850933540.db2.gz PGDIASQHFMIUOL-IAGOWNOFSA-N 2 1 351.495 0.868 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2ccnn2C)O1 ZINC001178811654 850934145 /nfs/dbraw/zinc/93/41/45/850934145.db2.gz XCWRLMSEKIJFFY-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2ccnn2C)O1 ZINC001178811654 850934153 /nfs/dbraw/zinc/93/41/53/850934153.db2.gz XCWRLMSEKIJFFY-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCOC)C[C@H]32)CC[N@H+]1C ZINC001187971550 851632656 /nfs/dbraw/zinc/63/26/56/851632656.db2.gz PPWWCFCPSIOWQP-WNRNVDISSA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCOC)C[C@H]32)CC[NH+]1C ZINC001187971550 851632660 /nfs/dbraw/zinc/63/26/60/851632660.db2.gz PPWWCFCPSIOWQP-WNRNVDISSA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCOC)C[C@H]32)CC[NH+]1C ZINC001187971550 851632664 /nfs/dbraw/zinc/63/26/64/851632664.db2.gz PPWWCFCPSIOWQP-WNRNVDISSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001188107506 851646557 /nfs/dbraw/zinc/64/65/57/851646557.db2.gz RYSNUKQYMDJAGB-HRCADAONSA-N 2 1 354.470 0.431 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001188107506 851646562 /nfs/dbraw/zinc/64/65/62/851646562.db2.gz RYSNUKQYMDJAGB-HRCADAONSA-N 2 1 354.470 0.431 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322301 851669921 /nfs/dbraw/zinc/66/99/21/851669921.db2.gz KGQJWWRYXGSNRO-XMTFNYHQSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322301 851669924 /nfs/dbraw/zinc/66/99/24/851669924.db2.gz KGQJWWRYXGSNRO-XMTFNYHQSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322301 851669927 /nfs/dbraw/zinc/66/99/27/851669927.db2.gz KGQJWWRYXGSNRO-XMTFNYHQSA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322301 851669931 /nfs/dbraw/zinc/66/99/31/851669931.db2.gz KGQJWWRYXGSNRO-XMTFNYHQSA-N 2 1 353.507 0.911 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC1 ZINC001188963153 851738323 /nfs/dbraw/zinc/73/83/23/851738323.db2.gz KVKTTZVHYWVFKJ-LSDHHAIUSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC1 ZINC001188963153 851738328 /nfs/dbraw/zinc/73/83/28/851738328.db2.gz KVKTTZVHYWVFKJ-LSDHHAIUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062644 851747862 /nfs/dbraw/zinc/74/78/62/851747862.db2.gz UXUQSNOXHCWLFM-JKSUJKDBSA-N 2 1 359.536 0.684 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062644 851747868 /nfs/dbraw/zinc/74/78/68/851747868.db2.gz UXUQSNOXHCWLFM-JKSUJKDBSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159762 851761027 /nfs/dbraw/zinc/76/10/27/851761027.db2.gz KADQEUIOHFBBGW-HRCADAONSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159762 851761032 /nfs/dbraw/zinc/76/10/32/851761032.db2.gz KADQEUIOHFBBGW-HRCADAONSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159762 851761038 /nfs/dbraw/zinc/76/10/38/851761038.db2.gz KADQEUIOHFBBGW-HRCADAONSA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667590 851812834 /nfs/dbraw/zinc/81/28/34/851812834.db2.gz GYAJLHVKWUXXBA-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667590 851812846 /nfs/dbraw/zinc/81/28/46/851812846.db2.gz GYAJLHVKWUXXBA-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667590 851812848 /nfs/dbraw/zinc/81/28/48/851812848.db2.gz GYAJLHVKWUXXBA-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189667590 851812859 /nfs/dbraw/zinc/81/28/59/851812859.db2.gz GYAJLHVKWUXXBA-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788087 851824555 /nfs/dbraw/zinc/82/45/55/851824555.db2.gz SKEXKFSVAIZPLF-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788087 851824558 /nfs/dbraw/zinc/82/45/58/851824558.db2.gz SKEXKFSVAIZPLF-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788087 851824562 /nfs/dbraw/zinc/82/45/62/851824562.db2.gz SKEXKFSVAIZPLF-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788087 851824566 /nfs/dbraw/zinc/82/45/66/851824566.db2.gz SKEXKFSVAIZPLF-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001189801679 851825988 /nfs/dbraw/zinc/82/59/88/851825988.db2.gz IYQPYIVEHNNQJJ-DOTOQJQBSA-N 2 1 350.438 0.832 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001189801679 851825994 /nfs/dbraw/zinc/82/59/94/851825994.db2.gz IYQPYIVEHNNQJJ-DOTOQJQBSA-N 2 1 350.438 0.832 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189811142 851826999 /nfs/dbraw/zinc/82/69/99/851826999.db2.gz STRVNPAQJIRCDO-UONOGXRCSA-N 2 1 353.492 0.457 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189811142 851827006 /nfs/dbraw/zinc/82/70/06/851827006.db2.gz STRVNPAQJIRCDO-UONOGXRCSA-N 2 1 353.492 0.457 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001189810798 851827155 /nfs/dbraw/zinc/82/71/55/851827155.db2.gz HPANOEGOXKVXIM-RRFJBIMHSA-N 2 1 361.433 0.522 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178013 851870419 /nfs/dbraw/zinc/87/04/19/851870419.db2.gz UFVIXBPNUKCVMM-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178013 851870427 /nfs/dbraw/zinc/87/04/27/851870427.db2.gz UFVIXBPNUKCVMM-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001190176237 851870601 /nfs/dbraw/zinc/87/06/01/851870601.db2.gz DONCUOYAWNDTNC-OKZBNKHCSA-N 2 1 351.491 0.811 20 0 FCADMP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190222052 851879093 /nfs/dbraw/zinc/87/90/93/851879093.db2.gz YIHLUEBTZWTHQF-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001190238042 851882267 /nfs/dbraw/zinc/88/22/67/851882267.db2.gz IGXHYYZOTYPZDH-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001190238042 851882268 /nfs/dbraw/zinc/88/22/68/851882268.db2.gz IGXHYYZOTYPZDH-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001190238042 851882269 /nfs/dbraw/zinc/88/22/69/851882269.db2.gz IGXHYYZOTYPZDH-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001190238042 851882270 /nfs/dbraw/zinc/88/22/70/851882270.db2.gz IGXHYYZOTYPZDH-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371573 851899255 /nfs/dbraw/zinc/89/92/55/851899255.db2.gz WLPUOCMUNRSVJQ-HRCADAONSA-N 2 1 359.536 0.540 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371573 851899262 /nfs/dbraw/zinc/89/92/62/851899262.db2.gz WLPUOCMUNRSVJQ-HRCADAONSA-N 2 1 359.536 0.540 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371573 851899269 /nfs/dbraw/zinc/89/92/69/851899269.db2.gz WLPUOCMUNRSVJQ-HRCADAONSA-N 2 1 359.536 0.540 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190371573 851899276 /nfs/dbraw/zinc/89/92/76/851899276.db2.gz WLPUOCMUNRSVJQ-HRCADAONSA-N 2 1 359.536 0.540 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481294 851910754 /nfs/dbraw/zinc/91/07/54/851910754.db2.gz SNHOINKELYEMQU-RCCFBDPRSA-N 2 1 353.507 0.793 20 0 FCADMP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001278428568 862324656 /nfs/dbraw/zinc/32/46/56/862324656.db2.gz PVPWXIVJNKRCGM-HZPDHXFCSA-N 2 1 354.564 0.814 20 0 FCADMP CSCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001278428567 862326352 /nfs/dbraw/zinc/32/63/52/862326352.db2.gz PVPWXIVJNKRCGM-HOTGVXAUSA-N 2 1 354.564 0.814 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102428 852354314 /nfs/dbraw/zinc/35/43/14/852354314.db2.gz JJPMSLIPFFMCEU-ARFHVFGLSA-N 2 1 352.479 0.985 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102428 852354320 /nfs/dbraw/zinc/35/43/20/852354320.db2.gz JJPMSLIPFFMCEU-ARFHVFGLSA-N 2 1 352.479 0.985 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728811 852478354 /nfs/dbraw/zinc/47/83/54/852478354.db2.gz TXABHUNFLHSWEG-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728811 852478359 /nfs/dbraw/zinc/47/83/59/852478359.db2.gz TXABHUNFLHSWEG-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2O)C1 ZINC001193728811 852478364 /nfs/dbraw/zinc/47/83/64/852478364.db2.gz TXABHUNFLHSWEG-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102312 852536703 /nfs/dbraw/zinc/53/67/03/852536703.db2.gz HFWIFPKTCISRSC-HZPDHXFCSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)CCCCC1 ZINC001194960668 852679798 /nfs/dbraw/zinc/67/97/98/852679798.db2.gz BVICPYYEORPQJU-GVDBMIGSSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001194982154 852685396 /nfs/dbraw/zinc/68/53/96/852685396.db2.gz BGXAUAXAKIGEHY-KZNAEPCWSA-N 2 1 351.491 0.449 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001194982154 852685399 /nfs/dbraw/zinc/68/53/99/852685399.db2.gz BGXAUAXAKIGEHY-KZNAEPCWSA-N 2 1 351.491 0.449 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)[NH+](C)C ZINC001195981074 852860243 /nfs/dbraw/zinc/86/02/43/852860243.db2.gz NUJQVKYMWXWQNB-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196175924 852905216 /nfs/dbraw/zinc/90/52/16/852905216.db2.gz HLUAKCBPDDQPDU-IIDMSEBBSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196175924 852905222 /nfs/dbraw/zinc/90/52/22/852905222.db2.gz HLUAKCBPDDQPDU-IIDMSEBBSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196175924 852905226 /nfs/dbraw/zinc/90/52/26/852905226.db2.gz HLUAKCBPDDQPDU-IIDMSEBBSA-N 2 1 359.486 0.785 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196175924 852905234 /nfs/dbraw/zinc/90/52/34/852905234.db2.gz HLUAKCBPDDQPDU-IIDMSEBBSA-N 2 1 359.486 0.785 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O)C(C)C ZINC001197024638 853050598 /nfs/dbraw/zinc/05/05/98/853050598.db2.gz GULRWFMXFCIVJD-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O)C(C)C ZINC001197024638 853050608 /nfs/dbraw/zinc/05/06/08/853050608.db2.gz GULRWFMXFCIVJD-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197048443 853053013 /nfs/dbraw/zinc/05/30/13/853053013.db2.gz BCUVSSMSDLVTDO-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001197048443 853053020 /nfs/dbraw/zinc/05/30/20/853053020.db2.gz BCUVSSMSDLVTDO-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926300 853187583 /nfs/dbraw/zinc/18/75/83/853187583.db2.gz KIGHDXBCMJWZRX-BZUAXINKSA-N 2 1 356.511 0.137 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926300 853187586 /nfs/dbraw/zinc/18/75/86/853187586.db2.gz KIGHDXBCMJWZRX-BZUAXINKSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198028446 853207150 /nfs/dbraw/zinc/20/71/50/853207150.db2.gz ABSKJIWOYDXLFP-KZNAEPCWSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198028446 853207152 /nfs/dbraw/zinc/20/71/52/853207152.db2.gz ABSKJIWOYDXLFP-KZNAEPCWSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198028446 853207156 /nfs/dbraw/zinc/20/71/56/853207156.db2.gz ABSKJIWOYDXLFP-KZNAEPCWSA-N 2 1 355.523 0.821 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001199017414 853355221 /nfs/dbraw/zinc/35/52/21/853355221.db2.gz GODAFMGVUALMJN-RCCFBDPRSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001199017797 853355371 /nfs/dbraw/zinc/35/53/71/853355371.db2.gz LXNFMDUXLLMCFN-KFWWJZLASA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001199017797 853355376 /nfs/dbraw/zinc/35/53/76/853355376.db2.gz LXNFMDUXLLMCFN-KFWWJZLASA-N 2 1 361.433 0.448 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129133 853376172 /nfs/dbraw/zinc/37/61/72/853376172.db2.gz YMAXNAKFLZFAHV-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199129133 853376178 /nfs/dbraw/zinc/37/61/78/853376178.db2.gz YMAXNAKFLZFAHV-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787169 853511194 /nfs/dbraw/zinc/51/11/94/853511194.db2.gz NQUPCXQPUWJKJU-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787169 853511197 /nfs/dbraw/zinc/51/11/97/853511197.db2.gz NQUPCXQPUWJKJU-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230403 853521664 /nfs/dbraw/zinc/52/16/64/853521664.db2.gz PDKQFFMASFOYGB-IIAWOOMASA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230403 853521669 /nfs/dbraw/zinc/52/16/69/853521669.db2.gz PDKQFFMASFOYGB-IIAWOOMASA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205519462 853620431 /nfs/dbraw/zinc/62/04/31/853620431.db2.gz OOBQSVLDXDWTCL-IXDOHACOSA-N 2 1 353.507 0.647 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986373 853777321 /nfs/dbraw/zinc/77/73/21/853777321.db2.gz CVFHZYBNVYFIJV-BFYDXBDKSA-N 2 1 351.495 0.656 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001206992778 853777772 /nfs/dbraw/zinc/77/77/72/853777772.db2.gz HICIXARGFZBNLR-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001206992778 853777776 /nfs/dbraw/zinc/77/77/76/853777776.db2.gz HICIXARGFZBNLR-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001206992778 853777780 /nfs/dbraw/zinc/77/77/80/853777780.db2.gz HICIXARGFZBNLR-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001206992778 853777784 /nfs/dbraw/zinc/77/77/84/853777784.db2.gz HICIXARGFZBNLR-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207280736 853796627 /nfs/dbraw/zinc/79/66/27/853796627.db2.gz UJENCXAGWARZMB-LJQANCHMSA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001207484779 853818622 /nfs/dbraw/zinc/81/86/22/853818622.db2.gz SBWPBVRZUMZIOI-SJORKVTESA-N 2 1 358.552 0.778 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207757836 853855178 /nfs/dbraw/zinc/85/51/78/853855178.db2.gz NUVXMZCFRYKJEZ-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207757836 853855184 /nfs/dbraw/zinc/85/51/84/853855184.db2.gz NUVXMZCFRYKJEZ-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207757836 853855192 /nfs/dbraw/zinc/85/51/92/853855192.db2.gz NUVXMZCFRYKJEZ-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001207757836 853855199 /nfs/dbraw/zinc/85/51/99/853855199.db2.gz NUVXMZCFRYKJEZ-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001208074372 853892519 /nfs/dbraw/zinc/89/25/19/853892519.db2.gz XKEKOBUZSSJQOY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP COCCN1CCO[C@H]2C[N@@H+](CC3(C)CC[NH+](C)CC3)CC[C@H]2C1=O ZINC001208107647 853898095 /nfs/dbraw/zinc/89/80/95/853898095.db2.gz REKHHEQMSZQJFY-SJORKVTESA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208124027 853898587 /nfs/dbraw/zinc/89/85/87/853898587.db2.gz VRKLUPLAMCBIFP-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208124027 853898589 /nfs/dbraw/zinc/89/85/89/853898589.db2.gz VRKLUPLAMCBIFP-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)[C@@H]2COC[C@H]12 ZINC001208185327 853903236 /nfs/dbraw/zinc/90/32/36/853903236.db2.gz LSWFWPBQRBFLHW-GVDBMIGSSA-N 2 1 353.507 0.912 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@@H]2COC[C@H]12 ZINC001208185327 853903239 /nfs/dbraw/zinc/90/32/39/853903239.db2.gz LSWFWPBQRBFLHW-GVDBMIGSSA-N 2 1 353.507 0.912 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411261 853929928 /nfs/dbraw/zinc/92/99/28/853929928.db2.gz PVOUZRYJTZFDRV-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411261 853929932 /nfs/dbraw/zinc/92/99/32/853929932.db2.gz PVOUZRYJTZFDRV-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208413000 853930079 /nfs/dbraw/zinc/93/00/79/853930079.db2.gz WNHMQVHEOYTGBH-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001208413000 853930083 /nfs/dbraw/zinc/93/00/83/853930083.db2.gz WNHMQVHEOYTGBH-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001208413000 853930085 /nfs/dbraw/zinc/93/00/85/853930085.db2.gz WNHMQVHEOYTGBH-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001208413000 853930086 /nfs/dbraw/zinc/93/00/86/853930086.db2.gz WNHMQVHEOYTGBH-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425703 853932246 /nfs/dbraw/zinc/93/22/46/853932246.db2.gz UEZKJSFRKUANBI-BZUAXINKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425703 853932249 /nfs/dbraw/zinc/93/22/49/853932249.db2.gz UEZKJSFRKUANBI-BZUAXINKSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208435255 853934757 /nfs/dbraw/zinc/93/47/57/853934757.db2.gz YZQXYDBQXZMMFU-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208435255 853934760 /nfs/dbraw/zinc/93/47/60/853934760.db2.gz YZQXYDBQXZMMFU-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485803 853941255 /nfs/dbraw/zinc/94/12/55/853941255.db2.gz RMIODCMLPMMXGX-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485803 853941258 /nfs/dbraw/zinc/94/12/58/853941258.db2.gz RMIODCMLPMMXGX-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492039 853941978 /nfs/dbraw/zinc/94/19/78/853941978.db2.gz CVLHTCIBLXJQFI-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494237 853942459 /nfs/dbraw/zinc/94/24/59/853942459.db2.gz MDTANOIRHPFXAK-FRRDWIJNSA-N 2 1 355.401 0.314 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)C1 ZINC001208614758 853960153 /nfs/dbraw/zinc/96/01/53/853960153.db2.gz UKNZTLRSLSFTMM-MRXNPFEDSA-N 2 1 359.536 0.702 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208647230 853963663 /nfs/dbraw/zinc/96/36/63/853963663.db2.gz YZODADODEGXKAU-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208647230 853963664 /nfs/dbraw/zinc/96/36/64/853963664.db2.gz YZODADODEGXKAU-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208647230 853963668 /nfs/dbraw/zinc/96/36/68/853963668.db2.gz YZODADODEGXKAU-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208647230 853963671 /nfs/dbraw/zinc/96/36/71/853963671.db2.gz YZODADODEGXKAU-MCIONIFRSA-N 2 1 352.479 0.206 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CC3CCN(C(C)=O)CC3)CC[C@@H]2C1 ZINC001208679120 853967076 /nfs/dbraw/zinc/96/70/76/853967076.db2.gz XYOZBUYGEGBRGT-RTBURBONSA-N 2 1 353.507 0.914 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CC3CCN(C(C)=O)CC3)CC[C@@H]2C1 ZINC001208679120 853967078 /nfs/dbraw/zinc/96/70/78/853967078.db2.gz XYOZBUYGEGBRGT-RTBURBONSA-N 2 1 353.507 0.914 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CC3CCN(C(C)=O)CC3)CC[C@@H]2C1 ZINC001208679120 853967079 /nfs/dbraw/zinc/96/70/79/853967079.db2.gz XYOZBUYGEGBRGT-RTBURBONSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001209642733 854043198 /nfs/dbraw/zinc/04/31/98/854043198.db2.gz OWNWEUILCWUQGO-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001209642733 854043205 /nfs/dbraw/zinc/04/32/05/854043205.db2.gz OWNWEUILCWUQGO-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837367 854057999 /nfs/dbraw/zinc/05/79/99/854057999.db2.gz XDDABSSWLGCIEV-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837367 854058001 /nfs/dbraw/zinc/05/80/01/854058001.db2.gz XDDABSSWLGCIEV-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210041180 854073370 /nfs/dbraw/zinc/07/33/70/854073370.db2.gz QWIVJOBLKNXERI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210041180 854073374 /nfs/dbraw/zinc/07/33/74/854073374.db2.gz QWIVJOBLKNXERI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210041180 854073382 /nfs/dbraw/zinc/07/33/82/854073382.db2.gz QWIVJOBLKNXERI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210041180 854073388 /nfs/dbraw/zinc/07/33/88/854073388.db2.gz QWIVJOBLKNXERI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049493 854073894 /nfs/dbraw/zinc/07/38/94/854073894.db2.gz CPEUGDZIIMPKFG-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049493 854073899 /nfs/dbraw/zinc/07/38/99/854073899.db2.gz CPEUGDZIIMPKFG-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049493 854073906 /nfs/dbraw/zinc/07/39/06/854073906.db2.gz CPEUGDZIIMPKFG-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049493 854073912 /nfs/dbraw/zinc/07/39/12/854073912.db2.gz CPEUGDZIIMPKFG-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329618 854100414 /nfs/dbraw/zinc/10/04/14/854100414.db2.gz FBNOPXUEYAKYEX-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329618 854100415 /nfs/dbraw/zinc/10/04/15/854100415.db2.gz FBNOPXUEYAKYEX-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330477 854101670 /nfs/dbraw/zinc/10/16/70/854101670.db2.gz ZUICVNSCVVSMIV-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330243 854102022 /nfs/dbraw/zinc/10/20/22/854102022.db2.gz TXVQMRXSPGPVGL-IXDOHACOSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210432701 854109824 /nfs/dbraw/zinc/10/98/24/854109824.db2.gz DJXVIDKIKQXSTL-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001210432701 854109825 /nfs/dbraw/zinc/10/98/25/854109825.db2.gz DJXVIDKIKQXSTL-ARFHVFGLSA-N 2 1 361.552 0.836 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001210484760 854114287 /nfs/dbraw/zinc/11/42/87/854114287.db2.gz BTWBKCXYWWUGML-IXDOHACOSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001210484760 854114293 /nfs/dbraw/zinc/11/42/93/854114293.db2.gz BTWBKCXYWWUGML-IXDOHACOSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001210484760 854114296 /nfs/dbraw/zinc/11/42/96/854114296.db2.gz BTWBKCXYWWUGML-IXDOHACOSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210514633 854115962 /nfs/dbraw/zinc/11/59/62/854115962.db2.gz ZMXJWKBPPLDEFI-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210514633 854115965 /nfs/dbraw/zinc/11/59/65/854115965.db2.gz ZMXJWKBPPLDEFI-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210514633 854115968 /nfs/dbraw/zinc/11/59/68/854115968.db2.gz ZMXJWKBPPLDEFI-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210514633 854115969 /nfs/dbraw/zinc/11/59/69/854115969.db2.gz ZMXJWKBPPLDEFI-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046218 854150157 /nfs/dbraw/zinc/15/01/57/854150157.db2.gz KEBGQUBTUOGPCO-BRWVUGGUSA-N 2 1 357.495 0.054 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350736 854180164 /nfs/dbraw/zinc/18/01/64/854180164.db2.gz WFAIRABAVBLHCO-NVXWUHKLSA-N 2 1 350.507 0.825 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293552 854430346 /nfs/dbraw/zinc/43/03/46/854430346.db2.gz XHRMSGZIXCXFMC-KZNAEPCWSA-N 2 1 353.507 0.816 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293364 854430463 /nfs/dbraw/zinc/43/04/63/854430463.db2.gz IRRZJACHORHFMF-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409398 854467099 /nfs/dbraw/zinc/46/70/99/854467099.db2.gz FMNQCQLFVNCQGU-BZUAXINKSA-N 2 1 352.504 0.841 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409398 854467102 /nfs/dbraw/zinc/46/71/02/854467102.db2.gz FMNQCQLFVNCQGU-BZUAXINKSA-N 2 1 352.504 0.841 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451296 854484121 /nfs/dbraw/zinc/48/41/21/854484121.db2.gz SSFPREURZZIQEL-QBPKDAKJSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451296 854484129 /nfs/dbraw/zinc/48/41/29/854484129.db2.gz SSFPREURZZIQEL-QBPKDAKJSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451296 854484136 /nfs/dbraw/zinc/48/41/36/854484136.db2.gz SSFPREURZZIQEL-QBPKDAKJSA-N 2 1 357.495 0.338 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451296 854484143 /nfs/dbraw/zinc/48/41/43/854484143.db2.gz SSFPREURZZIQEL-QBPKDAKJSA-N 2 1 357.495 0.338 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212459090 854487303 /nfs/dbraw/zinc/48/73/03/854487303.db2.gz WJIMXUHSSGGUQC-HZPDHXFCSA-N 2 1 357.495 0.197 20 0 FCADMP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342117 854581886 /nfs/dbraw/zinc/58/18/86/854581886.db2.gz HPUNTQJWXVOOJM-MGPQQGTHSA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342117 854581890 /nfs/dbraw/zinc/58/18/90/854581890.db2.gz HPUNTQJWXVOOJM-MGPQQGTHSA-N 2 1 361.433 0.568 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346219 854583435 /nfs/dbraw/zinc/58/34/35/854583435.db2.gz CPJQTURXTFCJPN-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348614 854584875 /nfs/dbraw/zinc/58/48/75/854584875.db2.gz PRSCDZYWMGTQIU-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348614 854584878 /nfs/dbraw/zinc/58/48/78/854584878.db2.gz PRSCDZYWMGTQIU-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369593 854590977 /nfs/dbraw/zinc/59/09/77/854590977.db2.gz XLNLAYWHBZPATC-OWCLPIDISA-N 2 1 354.495 0.188 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369593 854590984 /nfs/dbraw/zinc/59/09/84/854590984.db2.gz XLNLAYWHBZPATC-OWCLPIDISA-N 2 1 354.495 0.188 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369589 854591275 /nfs/dbraw/zinc/59/12/75/854591275.db2.gz XHAUNQCKEXPQNS-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374807 854593761 /nfs/dbraw/zinc/59/37/61/854593761.db2.gz YNFXELMHQOJQQD-IXDOHACOSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374807 854593770 /nfs/dbraw/zinc/59/37/70/854593770.db2.gz YNFXELMHQOJQQD-IXDOHACOSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399841 854602712 /nfs/dbraw/zinc/60/27/12/854602712.db2.gz NNRZVYBOOSRNMT-BRWVUGGUSA-N 2 1 351.495 0.630 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399841 854602719 /nfs/dbraw/zinc/60/27/19/854602719.db2.gz NNRZVYBOOSRNMT-BRWVUGGUSA-N 2 1 351.495 0.630 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455491 854623684 /nfs/dbraw/zinc/62/36/84/854623684.db2.gz DNQUOFDZRZKNRB-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578489 854673520 /nfs/dbraw/zinc/67/35/20/854673520.db2.gz RFPAIODDOSVSDS-GVDBMIGSSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578489 854673523 /nfs/dbraw/zinc/67/35/23/854673523.db2.gz RFPAIODDOSVSDS-GVDBMIGSSA-N 2 1 350.463 0.824 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001213598242 854679816 /nfs/dbraw/zinc/67/98/16/854679816.db2.gz DXNADBJJVMXFRR-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638596 854694552 /nfs/dbraw/zinc/69/45/52/854694552.db2.gz WMCGVSGWCFARBY-IAGOWNOFSA-N 2 1 357.495 0.338 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672009 854709560 /nfs/dbraw/zinc/70/95/60/854709560.db2.gz XTKCYXNUATWCNK-BZUAXINKSA-N 2 1 356.511 0.399 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672009 854709566 /nfs/dbraw/zinc/70/95/66/854709566.db2.gz XTKCYXNUATWCNK-BZUAXINKSA-N 2 1 356.511 0.399 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672009 854709574 /nfs/dbraw/zinc/70/95/74/854709574.db2.gz XTKCYXNUATWCNK-BZUAXINKSA-N 2 1 356.511 0.399 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213672009 854709580 /nfs/dbraw/zinc/70/95/80/854709580.db2.gz XTKCYXNUATWCNK-BZUAXINKSA-N 2 1 356.511 0.399 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213671926 854710382 /nfs/dbraw/zinc/71/03/82/854710382.db2.gz WKGQRYHEUINNHP-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213671926 854710388 /nfs/dbraw/zinc/71/03/88/854710388.db2.gz WKGQRYHEUINNHP-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001213671926 854710395 /nfs/dbraw/zinc/71/03/95/854710395.db2.gz WKGQRYHEUINNHP-HZPDHXFCSA-N 2 1 350.463 0.043 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678274 854712525 /nfs/dbraw/zinc/71/25/25/854712525.db2.gz MSEZXHNMICCZGG-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678274 854712526 /nfs/dbraw/zinc/71/25/26/854712526.db2.gz MSEZXHNMICCZGG-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213678274 854712529 /nfs/dbraw/zinc/71/25/29/854712529.db2.gz MSEZXHNMICCZGG-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213721515 854735442 /nfs/dbraw/zinc/73/54/42/854735442.db2.gz SBLDJXVSZGDUGS-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001213721515 854735446 /nfs/dbraw/zinc/73/54/46/854735446.db2.gz SBLDJXVSZGDUGS-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001213721515 854735450 /nfs/dbraw/zinc/73/54/50/854735450.db2.gz SBLDJXVSZGDUGS-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CC1 ZINC001213728768 854739788 /nfs/dbraw/zinc/73/97/88/854739788.db2.gz RZZDDTGLJOGSHD-BRWVUGGUSA-N 2 1 351.491 0.713 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001213730382 854740659 /nfs/dbraw/zinc/74/06/59/854740659.db2.gz NENJBGKMDPTYED-YSVLISHTSA-N 2 1 350.463 0.738 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001213730382 854740668 /nfs/dbraw/zinc/74/06/68/854740668.db2.gz NENJBGKMDPTYED-YSVLISHTSA-N 2 1 350.463 0.738 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754269 854751026 /nfs/dbraw/zinc/75/10/26/854751026.db2.gz WODQKTWSGZUVLN-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754269 854751029 /nfs/dbraw/zinc/75/10/29/854751029.db2.gz WODQKTWSGZUVLN-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759534 854755005 /nfs/dbraw/zinc/75/50/05/854755005.db2.gz PRWBDEKTDOEFEM-BZUAXINKSA-N 2 1 356.511 0.304 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767180 854758223 /nfs/dbraw/zinc/75/82/23/854758223.db2.gz GWWZZUULVPSALM-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767180 854758233 /nfs/dbraw/zinc/75/82/33/854758233.db2.gz GWWZZUULVPSALM-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213767180 854758241 /nfs/dbraw/zinc/75/82/41/854758241.db2.gz GWWZZUULVPSALM-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863975 854798594 /nfs/dbraw/zinc/79/85/94/854798594.db2.gz WPWPDKOQTHAJKZ-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336160 854926896 /nfs/dbraw/zinc/92/68/96/854926896.db2.gz WMABULDVGOXJTF-BZUAXINKSA-N 2 1 359.536 0.730 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C)nn1 ZINC001214755197 855002852 /nfs/dbraw/zinc/00/28/52/855002852.db2.gz VLRGNGMUYXBKJP-VNQPRFMTSA-N 2 1 354.474 0.914 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214855803 855023240 /nfs/dbraw/zinc/02/32/40/855023240.db2.gz OCMYKIUCECWXMC-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214967215 855042373 /nfs/dbraw/zinc/04/23/73/855042373.db2.gz SPMRTSNLPSEGIM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001215156120 855074129 /nfs/dbraw/zinc/07/41/29/855074129.db2.gz ZSIGVXUYSKCESG-GDBMZVCRSA-N 2 1 370.519 0.841 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215380799 855106314 /nfs/dbraw/zinc/10/63/14/855106314.db2.gz AGGPRBOHLYRITH-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1CC(F)(F)F ZINC001215461161 855118107 /nfs/dbraw/zinc/11/81/07/855118107.db2.gz ULFZALHUKXCBLW-GHMZBOCLSA-N 2 1 363.388 0.124 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215536884 855125899 /nfs/dbraw/zinc/12/58/99/855125899.db2.gz XXUNXXPZGGPUNT-OWCLPIDISA-N 2 1 371.547 0.732 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539916 855126136 /nfs/dbraw/zinc/12/61/36/855126136.db2.gz CLHAHCWXQPRQBH-LBTNJELSSA-N 2 1 356.486 0.772 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215774214 855144728 /nfs/dbraw/zinc/14/47/28/855144728.db2.gz LLKBGSFUDAZGHA-OIISXLGYSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)[NH+]1CCCCCC1 ZINC001215774230 855144818 /nfs/dbraw/zinc/14/48/18/855144818.db2.gz LRPKYWMCNXVDKO-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215934161 855158087 /nfs/dbraw/zinc/15/80/87/855158087.db2.gz GHYQYIUFXHLGCN-UKRRQHHQSA-N 2 1 356.492 0.453 20 0 FCADMP CO[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CCC1 ZINC001215939176 855158872 /nfs/dbraw/zinc/15/88/72/855158872.db2.gz XJFNLQNFGLIIBV-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216226571 855182145 /nfs/dbraw/zinc/18/21/45/855182145.db2.gz XQTDWBBDAVCRHB-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216507398 855210022 /nfs/dbraw/zinc/21/00/22/855210022.db2.gz XOSZPGOFDSMORT-NVXWUHKLSA-N 2 1 356.511 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001216754385 855232496 /nfs/dbraw/zinc/23/24/96/855232496.db2.gz RWQTYQNJZFVWBN-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001216844481 855257024 /nfs/dbraw/zinc/25/70/24/855257024.db2.gz COQIOZVETFJRCT-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1OC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001218072847 855394821 /nfs/dbraw/zinc/39/48/21/855394821.db2.gz XOYGYQSYGKUAKO-SECBINFHSA-N 2 1 352.391 0.062 20 0 FCADMP COC(=O)c1nc(Br)sc1NC(=O)C[NH2+]CCC[NH3+] ZINC001218786325 855479764 /nfs/dbraw/zinc/47/97/64/855479764.db2.gz YQVWRWDEFPHJSC-UHFFFAOYSA-N 2 1 351.226 0.569 20 0 FCADMP Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]CCC[NH3+])cc2)cc1 ZINC001218864432 855487567 /nfs/dbraw/zinc/48/75/67/855487567.db2.gz QJONTJXVBKLCMM-UHFFFAOYSA-N 2 1 362.455 0.979 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001218918249 855495587 /nfs/dbraw/zinc/49/55/87/855495587.db2.gz DNEKDCGOVYBMRQ-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001218918249 855495593 /nfs/dbraw/zinc/49/55/93/855495593.db2.gz DNEKDCGOVYBMRQ-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001218918249 855495597 /nfs/dbraw/zinc/49/55/97/855495597.db2.gz DNEKDCGOVYBMRQ-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001218918249 855495604 /nfs/dbraw/zinc/49/56/04/855495604.db2.gz DNEKDCGOVYBMRQ-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357779 855644522 /nfs/dbraw/zinc/64/45/22/855644522.db2.gz KRTBJNQYJOYVDZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357779 855644527 /nfs/dbraw/zinc/64/45/27/855644527.db2.gz KRTBJNQYJOYVDZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357779 855644535 /nfs/dbraw/zinc/64/45/35/855644535.db2.gz KRTBJNQYJOYVDZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001219357779 855644542 /nfs/dbraw/zinc/64/45/42/855644542.db2.gz KRTBJNQYJOYVDZ-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219643205 855750897 /nfs/dbraw/zinc/75/08/97/855750897.db2.gz KCZKOWIXQOCNFC-KSZLIROESA-N 2 1 351.491 0.306 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219643205 855750899 /nfs/dbraw/zinc/75/08/99/855750899.db2.gz KCZKOWIXQOCNFC-KSZLIROESA-N 2 1 351.491 0.306 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219850677 855845470 /nfs/dbraw/zinc/84/54/70/855845470.db2.gz ZLPODQNWWSINBX-UOVPBQLFSA-N 3 1 350.507 0.191 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219904635 855873348 /nfs/dbraw/zinc/87/33/48/855873348.db2.gz JOQXIZKHIWQFSD-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219904635 855873356 /nfs/dbraw/zinc/87/33/56/855873356.db2.gz JOQXIZKHIWQFSD-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219904635 855873365 /nfs/dbraw/zinc/87/33/65/855873365.db2.gz JOQXIZKHIWQFSD-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205839 856008120 /nfs/dbraw/zinc/00/81/20/856008120.db2.gz OGLDJJAJLYWBRV-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205839 856008123 /nfs/dbraw/zinc/00/81/23/856008123.db2.gz OGLDJJAJLYWBRV-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205839 856008128 /nfs/dbraw/zinc/00/81/28/856008128.db2.gz OGLDJJAJLYWBRV-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220205839 856008133 /nfs/dbraw/zinc/00/81/33/856008133.db2.gz OGLDJJAJLYWBRV-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220215109 856014467 /nfs/dbraw/zinc/01/44/67/856014467.db2.gz WSWUPIWQQNILDT-FJIDUMEYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220215109 856014482 /nfs/dbraw/zinc/01/44/82/856014482.db2.gz WSWUPIWQQNILDT-FJIDUMEYSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220215109 856014485 /nfs/dbraw/zinc/01/44/85/856014485.db2.gz WSWUPIWQQNILDT-FJIDUMEYSA-N 2 1 355.523 0.941 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220299115 856051096 /nfs/dbraw/zinc/05/10/96/856051096.db2.gz PGQIBVYNHGQTDA-IXDOHACOSA-N 2 1 351.495 0.247 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220299115 856051107 /nfs/dbraw/zinc/05/11/07/856051107.db2.gz PGQIBVYNHGQTDA-IXDOHACOSA-N 2 1 351.495 0.247 20 0 FCADMP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCN(C)CC1 ZINC001220345857 856077959 /nfs/dbraw/zinc/07/79/59/856077959.db2.gz QVGBBPBIQBCYPY-HNNXBMFYSA-N 2 1 356.511 0.626 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359773 856084153 /nfs/dbraw/zinc/08/41/53/856084153.db2.gz XUTQXKMIUDSLKC-RVKKMQEKSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359773 856084159 /nfs/dbraw/zinc/08/41/59/856084159.db2.gz XUTQXKMIUDSLKC-RVKKMQEKSA-N 2 1 359.486 0.787 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359773 856084165 /nfs/dbraw/zinc/08/41/65/856084165.db2.gz XUTQXKMIUDSLKC-RVKKMQEKSA-N 2 1 359.486 0.787 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387943 856102250 /nfs/dbraw/zinc/10/22/50/856102250.db2.gz VUPRVGFWTXMQBF-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387943 856102252 /nfs/dbraw/zinc/10/22/52/856102252.db2.gz VUPRVGFWTXMQBF-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436647 856125709 /nfs/dbraw/zinc/12/57/09/856125709.db2.gz ZYNDFTSWSXFLMS-INIZCTEOSA-N 2 1 350.438 0.223 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001220478535 856146184 /nfs/dbraw/zinc/14/61/84/856146184.db2.gz BOSXPLGJAXODAW-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1O ZINC001220553536 856180848 /nfs/dbraw/zinc/18/08/48/856180848.db2.gz KPZPNMHIQONSTI-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@@H]1O ZINC001220553536 856180852 /nfs/dbraw/zinc/18/08/52/856180852.db2.gz KPZPNMHIQONSTI-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@@H]1O ZINC001220553543 856181111 /nfs/dbraw/zinc/18/11/11/856181111.db2.gz KSJUWYCKZSDKEW-SJORKVTESA-N 2 1 367.515 0.564 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1O ZINC001220553543 856181114 /nfs/dbraw/zinc/18/11/14/856181114.db2.gz KSJUWYCKZSDKEW-SJORKVTESA-N 2 1 367.515 0.564 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2O)CC1 ZINC001220642681 856217034 /nfs/dbraw/zinc/21/70/34/856217034.db2.gz IIJHKAGNPBAILY-MSOLQXFVSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220688921 856243902 /nfs/dbraw/zinc/24/39/02/856243902.db2.gz WADDTWAKSORVNA-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220688921 856243906 /nfs/dbraw/zinc/24/39/06/856243906.db2.gz WADDTWAKSORVNA-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220688921 856243912 /nfs/dbraw/zinc/24/39/12/856243912.db2.gz WADDTWAKSORVNA-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220688921 856243918 /nfs/dbraw/zinc/24/39/18/856243918.db2.gz WADDTWAKSORVNA-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001220768615 856291283 /nfs/dbraw/zinc/29/12/83/856291283.db2.gz VKSOLZIAJAWZPP-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220772376 856292212 /nfs/dbraw/zinc/29/22/12/856292212.db2.gz QMSBSGSVHAETBR-WBVHZDCISA-N 2 1 350.463 0.738 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220798851 856307028 /nfs/dbraw/zinc/30/70/28/856307028.db2.gz IVEXGUPAVHVEQN-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220809450 856312153 /nfs/dbraw/zinc/31/21/53/856312153.db2.gz ZCEAKSLNYVMHCJ-SJORKVTESA-N 2 1 351.495 0.393 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220816830 856319148 /nfs/dbraw/zinc/31/91/48/856319148.db2.gz CRZOCNHOQIQFEX-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220816830 856319158 /nfs/dbraw/zinc/31/91/58/856319158.db2.gz CRZOCNHOQIQFEX-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220816830 856319163 /nfs/dbraw/zinc/31/91/63/856319163.db2.gz CRZOCNHOQIQFEX-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O ZINC001220986090 856408851 /nfs/dbraw/zinc/40/88/51/856408851.db2.gz RQPZBJHAZCMGLH-OIISXLGYSA-N 2 1 367.515 0.420 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220994324 856411886 /nfs/dbraw/zinc/41/18/86/856411886.db2.gz LRYYAHYCTHQMBB-MSOLQXFVSA-N 2 1 353.507 0.840 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001221049790 856435614 /nfs/dbraw/zinc/43/56/14/856435614.db2.gz FIALOFTWQOPOKE-HNNXBMFYSA-N 2 1 358.483 0.234 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001221049790 856435622 /nfs/dbraw/zinc/43/56/22/856435622.db2.gz FIALOFTWQOPOKE-HNNXBMFYSA-N 2 1 358.483 0.234 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC001221049790 856435632 /nfs/dbraw/zinc/43/56/32/856435632.db2.gz FIALOFTWQOPOKE-HNNXBMFYSA-N 2 1 358.483 0.234 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC001221049790 856435645 /nfs/dbraw/zinc/43/56/45/856435645.db2.gz FIALOFTWQOPOKE-HNNXBMFYSA-N 2 1 358.483 0.234 20 0 FCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081404 856452299 /nfs/dbraw/zinc/45/22/99/856452299.db2.gz JVQASMIECAQLDV-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081405 856453095 /nfs/dbraw/zinc/45/30/95/856453095.db2.gz JVQASMIECAQLDV-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)[C@@H]2C1 ZINC001279269103 862804691 /nfs/dbraw/zinc/80/46/91/862804691.db2.gz JXQXRUBAXOFZFA-YLFCFFPRSA-N 2 1 351.491 0.775 20 0 FCADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001221244025 856527514 /nfs/dbraw/zinc/52/75/14/856527514.db2.gz OZFHBBGLFYPHDS-FZMZJTMJSA-N 2 1 352.401 0.763 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001221410035 856560372 /nfs/dbraw/zinc/56/03/72/856560372.db2.gz ABCDCZKCVRKVGL-KRWDZBQOSA-N 2 1 368.909 0.981 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2cncs2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279287467 862811875 /nfs/dbraw/zinc/81/18/75/862811875.db2.gz QBXPVOYWDVOKNB-QGZVFWFLSA-N 2 1 351.520 0.861 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cncs2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279287467 862811886 /nfs/dbraw/zinc/81/18/86/862811886.db2.gz QBXPVOYWDVOKNB-QGZVFWFLSA-N 2 1 351.520 0.861 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616324 856625354 /nfs/dbraw/zinc/62/53/54/856625354.db2.gz JKZCKIIGZBTHJR-JFIYKMOQSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616324 856625358 /nfs/dbraw/zinc/62/53/58/856625358.db2.gz JKZCKIIGZBTHJR-JFIYKMOQSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21)[NH+](C)C ZINC001221631234 856629029 /nfs/dbraw/zinc/62/90/29/856629029.db2.gz HEWWZKWOTMQEDF-ZACQAIPSSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21)[NH+](C)C ZINC001221631234 856629030 /nfs/dbraw/zinc/62/90/30/856629030.db2.gz HEWWZKWOTMQEDF-ZACQAIPSSA-N 2 1 350.507 0.632 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001221642666 856635917 /nfs/dbraw/zinc/63/59/17/856635917.db2.gz CPZAOFRTQBOBPR-IAGOWNOFSA-N 2 1 351.491 0.404 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCOCCO)C[C@H]21 ZINC001221664359 856644770 /nfs/dbraw/zinc/64/47/70/856644770.db2.gz QRIKNHVPUTXAFG-KZNAEPCWSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221664359 856644776 /nfs/dbraw/zinc/64/47/76/856644776.db2.gz QRIKNHVPUTXAFG-KZNAEPCWSA-N 2 1 353.507 0.648 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221664359 856644780 /nfs/dbraw/zinc/64/47/80/856644780.db2.gz QRIKNHVPUTXAFG-KZNAEPCWSA-N 2 1 353.507 0.648 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001221772798 856676686 /nfs/dbraw/zinc/67/66/86/856676686.db2.gz NEVYMVYWJVIKIA-BZUAXINKSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001221772798 856676692 /nfs/dbraw/zinc/67/66/92/856676692.db2.gz NEVYMVYWJVIKIA-BZUAXINKSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001221772797 856676789 /nfs/dbraw/zinc/67/67/89/856676789.db2.gz NEVYMVYWJVIKIA-ARFHVFGLSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001221772797 856676792 /nfs/dbraw/zinc/67/67/92/856676792.db2.gz NEVYMVYWJVIKIA-ARFHVFGLSA-N 2 1 369.531 0.296 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221776871 856678858 /nfs/dbraw/zinc/67/88/58/856678858.db2.gz HNYKDWXGVUABKS-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221776871 856678861 /nfs/dbraw/zinc/67/88/61/856678861.db2.gz HNYKDWXGVUABKS-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221791687 856685753 /nfs/dbraw/zinc/68/57/53/856685753.db2.gz YARDGDSWTWATIW-HUUCEWRRSA-N 2 1 353.511 0.569 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221791687 856685757 /nfs/dbraw/zinc/68/57/57/856685757.db2.gz YARDGDSWTWATIW-HUUCEWRRSA-N 2 1 353.511 0.569 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815061 856695341 /nfs/dbraw/zinc/69/53/41/856695341.db2.gz RHCLJAUUHCZCHH-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815061 856695344 /nfs/dbraw/zinc/69/53/44/856695344.db2.gz RHCLJAUUHCZCHH-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815061 856695348 /nfs/dbraw/zinc/69/53/48/856695348.db2.gz RHCLJAUUHCZCHH-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221883663 856721409 /nfs/dbraw/zinc/72/14/09/856721409.db2.gz PQZDCDJHQXJJIO-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C[C@H]21 ZINC001221950377 856746273 /nfs/dbraw/zinc/74/62/73/856746273.db2.gz FKWRRDAUYZELSW-GDBMZVCRSA-N 2 1 369.897 0.647 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C[C@H]21 ZINC001221950377 856746280 /nfs/dbraw/zinc/74/62/80/856746280.db2.gz FKWRRDAUYZELSW-GDBMZVCRSA-N 2 1 369.897 0.647 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962730 856749975 /nfs/dbraw/zinc/74/99/75/856749975.db2.gz SMODGPNFLMPIGO-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962730 856749980 /nfs/dbraw/zinc/74/99/80/856749980.db2.gz SMODGPNFLMPIGO-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221962388 856750779 /nfs/dbraw/zinc/75/07/79/856750779.db2.gz AUUJXWPMUBDYMT-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018331 856769766 /nfs/dbraw/zinc/76/97/66/856769766.db2.gz XPGALRYVLYRKNX-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018331 856769773 /nfs/dbraw/zinc/76/97/73/856769773.db2.gz XPGALRYVLYRKNX-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034884 856780123 /nfs/dbraw/zinc/78/01/23/856780123.db2.gz MYJAXVJZYXJYAF-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034884 856780139 /nfs/dbraw/zinc/78/01/39/856780139.db2.gz MYJAXVJZYXJYAF-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034884 856780142 /nfs/dbraw/zinc/78/01/42/856780142.db2.gz MYJAXVJZYXJYAF-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001222034884 856780152 /nfs/dbraw/zinc/78/01/52/856780152.db2.gz MYJAXVJZYXJYAF-KURKYZTESA-N 2 1 353.507 0.912 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222042009 856781790 /nfs/dbraw/zinc/78/17/90/856781790.db2.gz QRQRDQBCHGQHRE-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222042009 856781793 /nfs/dbraw/zinc/78/17/93/856781793.db2.gz QRQRDQBCHGQHRE-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222809436 856874869 /nfs/dbraw/zinc/87/48/69/856874869.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222809436 856874872 /nfs/dbraw/zinc/87/48/72/856874872.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222809436 856874881 /nfs/dbraw/zinc/87/48/81/856874881.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891547 856880689 /nfs/dbraw/zinc/88/06/89/856880689.db2.gz DUHFPKWBUKVTDE-UWWQBHOKSA-N 2 1 350.507 0.728 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223115659 856898089 /nfs/dbraw/zinc/89/80/89/856898089.db2.gz HJFHQCOYFOSOGV-SJORKVTESA-N 2 1 350.463 0.777 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223115659 856898094 /nfs/dbraw/zinc/89/80/94/856898094.db2.gz HJFHQCOYFOSOGV-SJORKVTESA-N 2 1 350.463 0.777 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223499442 856921784 /nfs/dbraw/zinc/92/17/84/856921784.db2.gz ITYMVVMFZRGYQU-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223499442 856921790 /nfs/dbraw/zinc/92/17/90/856921790.db2.gz ITYMVVMFZRGYQU-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223499442 856921794 /nfs/dbraw/zinc/92/17/94/856921794.db2.gz ITYMVVMFZRGYQU-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223499442 856921799 /nfs/dbraw/zinc/92/17/99/856921799.db2.gz ITYMVVMFZRGYQU-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223911241 856950376 /nfs/dbraw/zinc/95/03/76/856950376.db2.gz BLAOBDGFDILADE-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223911241 856950388 /nfs/dbraw/zinc/95/03/88/856950388.db2.gz BLAOBDGFDILADE-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223911241 856950393 /nfs/dbraw/zinc/95/03/93/856950393.db2.gz BLAOBDGFDILADE-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnsc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916946 856951150 /nfs/dbraw/zinc/95/11/50/856951150.db2.gz VVIKUMLZJWRJGJ-CABCVRRESA-N 2 1 367.519 0.848 20 0 FCADMP Cc1nnsc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916946 856951153 /nfs/dbraw/zinc/95/11/53/856951153.db2.gz VVIKUMLZJWRJGJ-CABCVRRESA-N 2 1 367.519 0.848 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129603 856962219 /nfs/dbraw/zinc/96/22/19/856962219.db2.gz IZCSUZDMZMHDEP-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224129603 856962221 /nfs/dbraw/zinc/96/22/21/856962221.db2.gz IZCSUZDMZMHDEP-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224129603 856962225 /nfs/dbraw/zinc/96/22/25/856962225.db2.gz IZCSUZDMZMHDEP-IKGGRYGDSA-N 2 1 350.507 0.728 20 0 FCADMP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001226781811 857126113 /nfs/dbraw/zinc/12/61/13/857126113.db2.gz BJHBZQYXTHTHAA-ZACQAIPSSA-N 2 1 351.495 0.867 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001228366630 857206211 /nfs/dbraw/zinc/20/62/11/857206211.db2.gz TZIFLURJROBTJA-ZIAGYGMSSA-N 2 1 353.467 0.727 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229523779 857273549 /nfs/dbraw/zinc/27/35/49/857273549.db2.gz KFJFDKMINOSDLR-ARFHVFGLSA-N 2 1 359.536 0.780 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001229692052 857282030 /nfs/dbraw/zinc/28/20/30/857282030.db2.gz DEDPXSATQBJCEJ-BRWVUGGUSA-N 2 1 350.507 0.871 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229868827 857290084 /nfs/dbraw/zinc/29/00/84/857290084.db2.gz PPOQYZYPRPRJRB-IAGOWNOFSA-N 2 1 356.511 0.498 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2nncs2)C1 ZINC001230138268 857306563 /nfs/dbraw/zinc/30/65/63/857306563.db2.gz MGSHBILYIMFUPU-YNEHKIRRSA-N 2 1 366.491 0.445 20 0 FCADMP Cc1nnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)s1 ZINC001232244915 857370369 /nfs/dbraw/zinc/37/03/69/857370369.db2.gz WDOGXQCIVRFZAV-UHFFFAOYSA-N 2 1 366.535 0.517 20 0 FCADMP Cc1nnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)s1 ZINC001232244915 857370371 /nfs/dbraw/zinc/37/03/71/857370371.db2.gz WDOGXQCIVRFZAV-UHFFFAOYSA-N 2 1 366.535 0.517 20 0 FCADMP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235492531 857425034 /nfs/dbraw/zinc/42/50/34/857425034.db2.gz BCVLNVYRIREABD-MPGHIAIKSA-N 2 1 355.479 0.439 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C[C@H]1C2 ZINC001236026372 857435822 /nfs/dbraw/zinc/43/58/22/857435822.db2.gz DHWPXKQASGVXGA-WLHTULFXSA-N 3 1 362.499 0.619 20 0 FCADMP CC(C)(C)OC(=O)NCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310417 857439111 /nfs/dbraw/zinc/43/91/11/857439111.db2.gz YTGBZSGXHZAYAF-UHFFFAOYSA-N 3 1 359.515 0.407 20 0 FCADMP CC(C)(C)OC(=O)NCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310417 857439116 /nfs/dbraw/zinc/43/91/16/857439116.db2.gz YTGBZSGXHZAYAF-UHFFFAOYSA-N 3 1 359.515 0.407 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239080198 857508099 /nfs/dbraw/zinc/50/80/99/857508099.db2.gz CKIHQUIBPKLISR-UHFFFAOYSA-N 2 1 364.471 0.953 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239080198 857508102 /nfs/dbraw/zinc/50/81/02/857508102.db2.gz CKIHQUIBPKLISR-UHFFFAOYSA-N 2 1 364.471 0.953 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047448 857566015 /nfs/dbraw/zinc/56/60/15/857566015.db2.gz DZZRPETUZIWAOC-FGTMMUONSA-N 3 1 354.445 0.303 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047448 857566022 /nfs/dbraw/zinc/56/60/22/857566022.db2.gz DZZRPETUZIWAOC-FGTMMUONSA-N 2 1 354.445 0.303 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246254574 857571746 /nfs/dbraw/zinc/57/17/46/857571746.db2.gz HOZPYRCZKDZMDA-HEHGZKQESA-N 2 1 351.447 0.584 20 0 FCADMP CC(C)([NH3+])CN([C@@H]1CC[NH2+]C2(CNC2)C1)S(=O)(=O)c1ccccc1 ZINC001246291486 857572340 /nfs/dbraw/zinc/57/23/40/857572340.db2.gz TWKMMWGJFSATDC-CQSZACIVSA-N 2 1 352.504 0.509 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1C[NH2+]CCC2 ZINC001246599132 857586277 /nfs/dbraw/zinc/58/62/77/857586277.db2.gz ATXDEDMYQNHCIK-XSWJXKHESA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)c1nc2c(s1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246658709 857588041 /nfs/dbraw/zinc/58/80/41/857588041.db2.gz AJQXRUQFPLCDIO-LBPRGKRZSA-N 2 1 350.488 0.814 20 0 FCADMP CCOC(=O)c1nc2c(s1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246658692 857588181 /nfs/dbraw/zinc/58/81/81/857588181.db2.gz AJQXRUQFPLCDIO-GFCCVEGCSA-N 2 1 350.488 0.814 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700548 857592742 /nfs/dbraw/zinc/59/27/42/857592742.db2.gz GYBYYHGOGWDTHS-RXYDEIHYSA-N 2 1 351.491 0.998 20 0 FCADMP O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[NH2+]C2)O1)N1CCCC1 ZINC001246729233 857594097 /nfs/dbraw/zinc/59/40/97/857594097.db2.gz JQIYKWLSKBKFJH-BSDSXHPESA-N 2 1 351.491 0.999 20 0 FCADMP O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[NH2+]C2)O1)N1CCCC1 ZINC001246729233 857594103 /nfs/dbraw/zinc/59/41/03/857594103.db2.gz JQIYKWLSKBKFJH-BSDSXHPESA-N 2 1 351.491 0.999 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752853 857598499 /nfs/dbraw/zinc/59/84/99/857598499.db2.gz JSXSKXYGEWJCGN-SFFUCWETSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752853 857598507 /nfs/dbraw/zinc/59/85/07/857598507.db2.gz JSXSKXYGEWJCGN-SFFUCWETSA-N 2 1 351.491 0.713 20 0 FCADMP O=C(c1cscn1)N1CC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246772496 857599806 /nfs/dbraw/zinc/59/98/06/857599806.db2.gz AIUGIQKUTZPEHK-KFWWJZLASA-N 2 1 361.515 0.631 20 0 FCADMP CCOC(=O)[C@]12CN([C@@H]3C[NH2+][C@@](CC)(C(=O)OC)C3)C[C@H]1C[NH2+]CC2 ZINC001246855104 857603488 /nfs/dbraw/zinc/60/34/88/857603488.db2.gz JPGJBQBUHWHKHT-LTCOOKNTSA-N 2 1 353.463 0.145 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)N2 ZINC001246869651 857604565 /nfs/dbraw/zinc/60/45/65/857604565.db2.gz GRNRAZAWQFPNPZ-RGUZKJPTSA-N 3 1 350.507 0.414 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)[NH2+]2 ZINC001246869651 857604569 /nfs/dbraw/zinc/60/45/69/857604569.db2.gz GRNRAZAWQFPNPZ-RGUZKJPTSA-N 3 1 350.507 0.414 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)C[C@H](C1)[NH2+]2 ZINC001246869651 857604572 /nfs/dbraw/zinc/60/45/72/857604572.db2.gz GRNRAZAWQFPNPZ-RGUZKJPTSA-N 3 1 350.507 0.414 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936502 857606756 /nfs/dbraw/zinc/60/67/56/857606756.db2.gz LEUSFZANRJRBDL-BMFZPTHFSA-N 2 1 353.463 0.239 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936502 857606758 /nfs/dbraw/zinc/60/67/58/857606758.db2.gz LEUSFZANRJRBDL-BMFZPTHFSA-N 2 1 353.463 0.239 20 0 FCADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940754 857606865 /nfs/dbraw/zinc/60/68/65/857606865.db2.gz VAUAQBZMLHLHFG-NVXWUHKLSA-N 3 1 350.507 0.430 20 0 FCADMP COC(=O)[C@@H]1CCCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940754 857606868 /nfs/dbraw/zinc/60/68/68/857606868.db2.gz VAUAQBZMLHLHFG-NVXWUHKLSA-N 2 1 350.507 0.430 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CCN1 ZINC001246993045 857608667 /nfs/dbraw/zinc/60/86/67/857608667.db2.gz JVEZMGHQNVBPST-ROUUACIJSA-N 2 1 352.523 0.818 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CCN1 ZINC001246993045 857608677 /nfs/dbraw/zinc/60/86/77/857608677.db2.gz JVEZMGHQNVBPST-ROUUACIJSA-N 2 1 352.523 0.818 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CN[C@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007263 857608920 /nfs/dbraw/zinc/60/89/20/857608920.db2.gz KBJZTCVMWSVUGH-GLJUWKHASA-N 2 1 353.463 0.145 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001251779940 857750622 /nfs/dbraw/zinc/75/06/22/857750622.db2.gz WSUGALVENISFNX-ARFHVFGLSA-N 2 1 353.511 0.746 20 0 FCADMP COc1ccccc1OC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252911967 857849461 /nfs/dbraw/zinc/84/94/61/857849461.db2.gz ZPHXGWNYSYUZTP-HNNXBMFYSA-N 2 1 351.447 0.189 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001253184530 857869202 /nfs/dbraw/zinc/86/92/02/857869202.db2.gz GQSFDSZGMPQQPX-VVLHAWIVSA-N 2 1 356.511 0.297 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001253184530 857869210 /nfs/dbraw/zinc/86/92/10/857869210.db2.gz GQSFDSZGMPQQPX-VVLHAWIVSA-N 2 1 356.511 0.297 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001253181167 857869446 /nfs/dbraw/zinc/86/94/46/857869446.db2.gz BCLWKAHXVGSJPY-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001253181167 857869449 /nfs/dbraw/zinc/86/94/49/857869449.db2.gz BCLWKAHXVGSJPY-BSDSXHPESA-N 2 1 353.507 0.695 20 0 FCADMP COC(CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2)OC ZINC001279585635 862969376 /nfs/dbraw/zinc/96/93/76/862969376.db2.gz NIYNWMVCGXNOAS-OWCLPIDISA-N 2 1 353.463 0.001 20 0 FCADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001254513355 857976322 /nfs/dbraw/zinc/97/63/22/857976322.db2.gz XAZGOSWBDUUNDU-MRXNPFEDSA-N 2 1 352.504 0.890 20 0 FCADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001254513355 857976323 /nfs/dbraw/zinc/97/63/23/857976323.db2.gz XAZGOSWBDUUNDU-MRXNPFEDSA-N 2 1 352.504 0.890 20 0 FCADMP C[N@H+]1CC[C@H](N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255432126 858010518 /nfs/dbraw/zinc/01/05/18/858010518.db2.gz PJLHIZUZGFLXIZ-ZMSDIMECSA-N 2 1 357.520 0.786 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001279609922 862977486 /nfs/dbraw/zinc/97/74/86/862977486.db2.gz ZTSVLJGQFHNOFP-QGZVFWFLSA-N 2 1 358.552 0.923 20 0 FCADMP O=C(NCC(F)(F)F)N1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001279614814 862980789 /nfs/dbraw/zinc/98/07/89/862980789.db2.gz FIYUGKHXSLHOMN-OLZOCXBDSA-N 2 1 350.385 0.643 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[C@H]1C(=O)OC ZINC001257724175 858157155 /nfs/dbraw/zinc/15/71/55/858157155.db2.gz MQAFSAXWLWIEAK-BZUAXINKSA-N 2 1 355.479 0.344 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cn1C ZINC001279710223 863018476 /nfs/dbraw/zinc/01/84/76/863018476.db2.gz TZKJBZPPCHCZAE-IYBDPMFKSA-N 2 1 350.463 0.258 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cn1C ZINC001279710223 863018488 /nfs/dbraw/zinc/01/84/88/863018488.db2.gz TZKJBZPPCHCZAE-IYBDPMFKSA-N 2 1 350.463 0.258 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cn1C ZINC001279709752 863018525 /nfs/dbraw/zinc/01/85/25/863018525.db2.gz JCCIGOGEDTWCOS-SJORKVTESA-N 2 1 350.463 0.258 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cn1C ZINC001279709752 863018539 /nfs/dbraw/zinc/01/85/39/863018539.db2.gz JCCIGOGEDTWCOS-SJORKVTESA-N 2 1 350.463 0.258 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC001262064361 858769363 /nfs/dbraw/zinc/76/93/63/858769363.db2.gz YWMOSNFLDCMJQT-LSDHHAIUSA-N 2 1 356.511 0.483 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001264650194 859414414 /nfs/dbraw/zinc/41/44/14/859414414.db2.gz IMZFMNHFFSPMGR-SJORKVTESA-N 2 1 371.547 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H]3CCCN(C)C3=O)CCCC2)CC[N@H+]1C ZINC001268035653 859522640 /nfs/dbraw/zinc/52/26/40/859522640.db2.gz CPAJYZMNQAGKBJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@@H]21 ZINC001269992768 859624981 /nfs/dbraw/zinc/62/49/81/859624981.db2.gz YBFCPVUZGMKKHZ-PMPSAXMXSA-N 2 1 353.511 0.940 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001271853286 860031798 /nfs/dbraw/zinc/03/17/98/860031798.db2.gz IBPBMNJORYNEGO-WCXIOVBPSA-N 2 1 350.507 0.489 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001271853286 860031803 /nfs/dbraw/zinc/03/18/03/860031803.db2.gz IBPBMNJORYNEGO-WCXIOVBPSA-N 2 1 350.507 0.489 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001271853286 860031810 /nfs/dbraw/zinc/03/18/10/860031810.db2.gz IBPBMNJORYNEGO-WCXIOVBPSA-N 2 1 350.507 0.489 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001273249414 860426265 /nfs/dbraw/zinc/42/62/65/860426265.db2.gz VEZKEKBKFZGILQ-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001273249414 860426259 /nfs/dbraw/zinc/42/62/59/860426259.db2.gz VEZKEKBKFZGILQ-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)C1=O ZINC001273404089 860479715 /nfs/dbraw/zinc/47/97/15/860479715.db2.gz TXQQYINVERXCQC-DNVCBOLYSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001273666490 860561509 /nfs/dbraw/zinc/56/15/09/860561509.db2.gz MVFWFMQUBFJFSF-IDCJVQTKSA-N 2 1 350.507 0.679 20 0 FCADMP CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275097211 860932160 /nfs/dbraw/zinc/93/21/60/860932160.db2.gz ARWYWRUUUPORMG-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275097211 860932174 /nfs/dbraw/zinc/93/21/74/860932174.db2.gz ARWYWRUUUPORMG-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001275222794 860993418 /nfs/dbraw/zinc/99/34/18/860993418.db2.gz MGABUDCCSRQFDX-SOLBZPMBSA-N 2 1 352.523 0.831 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286682 861011648 /nfs/dbraw/zinc/01/16/48/861011648.db2.gz BCVOFAZRTVWLJI-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275555518 861126565 /nfs/dbraw/zinc/12/65/65/861126565.db2.gz CCWQCKHOWRFHDE-LJQANCHMSA-N 3 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275555868 861127554 /nfs/dbraw/zinc/12/75/54/861127554.db2.gz DGZVFRMXNKYOAV-LJQANCHMSA-N 3 1 352.523 0.441 20 0 FCADMP O=C1CO[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)CN1CC1CCOCC1 ZINC001275736104 861178671 /nfs/dbraw/zinc/17/86/71/861178671.db2.gz AVJMYRVQTOTMJC-LJQANCHMSA-N 2 1 351.491 0.716 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737149 861180299 /nfs/dbraw/zinc/18/02/99/861180299.db2.gz INYOJIVBSYNYGC-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP O=C1N(CC2CCOCC2)C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275736803 861180467 /nfs/dbraw/zinc/18/04/67/861180467.db2.gz HIWXNGHMTYRGHA-ZWKOTPCHSA-N 2 1 357.445 0.987 20 0 FCADMP O=C1N(CC2CCOCC2)C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275736803 861180480 /nfs/dbraw/zinc/18/04/80/861180480.db2.gz HIWXNGHMTYRGHA-ZWKOTPCHSA-N 2 1 357.445 0.987 20 0 FCADMP CN(C)C(=O)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737650 861180813 /nfs/dbraw/zinc/18/08/13/861180813.db2.gz NBXUDNRXADJBMI-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737839 861182317 /nfs/dbraw/zinc/18/23/17/861182317.db2.gz PGMHEFLMBJPHCQ-DLBZAZTESA-N 2 1 358.433 0.085 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001275737839 861182322 /nfs/dbraw/zinc/18/23/22/861182322.db2.gz PGMHEFLMBJPHCQ-DLBZAZTESA-N 2 1 358.433 0.085 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001279914693 863133627 /nfs/dbraw/zinc/13/36/27/863133627.db2.gz UWLDZPBLDWYEMJ-ALXJQNPVSA-N 2 1 352.523 0.833 20 0 FCADMP CS(=O)(=O)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280059027 863230575 /nfs/dbraw/zinc/23/05/75/863230575.db2.gz RZRQASRSNKNCER-INIZCTEOSA-N 2 1 369.531 0.440 20 0 FCADMP COCCC[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280094910 863261575 /nfs/dbraw/zinc/26/15/75/863261575.db2.gz CBWUFPGJIDWZRO-MLHJIOFPSA-N 2 1 353.507 0.789 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@@H]2C1 ZINC001280188649 863317855 /nfs/dbraw/zinc/31/78/55/863317855.db2.gz IOKYXEPMYNIGTR-NWANDNLSSA-N 2 1 364.515 0.845 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246459 863357610 /nfs/dbraw/zinc/35/76/10/863357610.db2.gz ZCPCMZMLMZTWPC-HXUWFJFHSA-N 3 1 351.583 0.973 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280246459 863357617 /nfs/dbraw/zinc/35/76/17/863357617.db2.gz ZCPCMZMLMZTWPC-HXUWFJFHSA-N 2 1 351.583 0.973 20 0 FCADMP CN1CCN(CCC[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280246459 863357627 /nfs/dbraw/zinc/35/76/27/863357627.db2.gz ZCPCMZMLMZTWPC-HXUWFJFHSA-N 2 1 351.583 0.973 20 0 FCADMP COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280259754 863367397 /nfs/dbraw/zinc/36/73/97/863367397.db2.gz ZVUGTIDENBMQGU-IRXDYDNUSA-N 2 1 353.507 0.772 20 0 FCADMP COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280259754 863367407 /nfs/dbraw/zinc/36/74/07/863367407.db2.gz ZVUGTIDENBMQGU-IRXDYDNUSA-N 2 1 353.507 0.772 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001281848909 863820045 /nfs/dbraw/zinc/82/00/45/863820045.db2.gz YAFCZVKBSHIYJY-BFYDXBDKSA-N 2 1 356.511 0.256 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC001282300776 864178232 /nfs/dbraw/zinc/17/82/32/864178232.db2.gz DQYPLJAFGFUEKA-IKGGRYGDSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[NH+]3C)CCCC2)CC[N@H+]1C ZINC001285116129 864611005 /nfs/dbraw/zinc/61/10/05/864611005.db2.gz SDRYFLSITRAHIY-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)CC[NH+]1C ZINC001285116129 864611008 /nfs/dbraw/zinc/61/10/08/864611008.db2.gz SDRYFLSITRAHIY-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)CC[NH+]1C ZINC001285116129 864611012 /nfs/dbraw/zinc/61/10/12/864611012.db2.gz SDRYFLSITRAHIY-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285229668 864616457 /nfs/dbraw/zinc/61/64/57/864616457.db2.gz VDMMNPQFIUXBST-GVDBMIGSSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001285934675 864657838 /nfs/dbraw/zinc/65/78/38/864657838.db2.gz OQYXUVAKOUXMQJ-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001285934675 864657846 /nfs/dbraw/zinc/65/78/46/864657846.db2.gz OQYXUVAKOUXMQJ-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001285934675 864657853 /nfs/dbraw/zinc/65/78/53/864657853.db2.gz OQYXUVAKOUXMQJ-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289535515 865123496 /nfs/dbraw/zinc/12/34/96/865123496.db2.gz IAHZVOIFWRVMBC-HZPDHXFCSA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1)[NH+](C)C ZINC001290540452 865443952 /nfs/dbraw/zinc/44/39/52/865443952.db2.gz WIPGGBQKVMYQHZ-IKGGRYGDSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001294758893 865854251 /nfs/dbraw/zinc/85/42/51/865854251.db2.gz VLMGZURLOCUPDU-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@H+]1C ZINC001294925781 865864309 /nfs/dbraw/zinc/86/43/09/865864309.db2.gz UVFWQADMOADINK-BMFZPTHFSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@H+]1C ZINC001294925783 865864385 /nfs/dbraw/zinc/86/43/85/865864385.db2.gz UVFWQADMOADINK-FVQBIDKESA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001351129561 866787079 /nfs/dbraw/zinc/78/70/79/866787079.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001351129561 866787092 /nfs/dbraw/zinc/78/70/92/866787092.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001351129561 866787104 /nfs/dbraw/zinc/78/71/04/866787104.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 1 355.527 0.421 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001351786632 866967932 /nfs/dbraw/zinc/96/79/32/866967932.db2.gz GNCUKLCBYMIHFI-CGTJXYLNSA-N 2 1 351.539 0.994 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001353149408 867360463 /nfs/dbraw/zinc/36/04/63/867360463.db2.gz MDCADLIJXLJGND-AOIWGVFYSA-N 2 1 350.507 0.289 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001316596995 867361459 /nfs/dbraw/zinc/36/14/59/867361459.db2.gz SCVCFHJTKFWDNC-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001353507472 867439195 /nfs/dbraw/zinc/43/91/95/867439195.db2.gz NHWFAWQSKDLKNJ-IKGGRYGDSA-N 2 1 353.511 0.162 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001318718308 867733692 /nfs/dbraw/zinc/73/36/92/867733692.db2.gz OWVMNOSFBSSMTM-JKSUJKDBSA-N 2 1 353.511 0.711 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001318718302 867734186 /nfs/dbraw/zinc/73/41/86/867734186.db2.gz OWVMNOSFBSSMTM-HOTGVXAUSA-N 2 1 353.511 0.711 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC001319325324 867886811 /nfs/dbraw/zinc/88/68/11/867886811.db2.gz QEZMCKOMIDAHDG-OAHLLOKOSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001356254197 867964550 /nfs/dbraw/zinc/96/45/50/867964550.db2.gz SDLHVCFPOQHIDS-IUODEOHRSA-N 2 1 351.520 0.974 20 0 FCADMP C[NH+](C)C1CCN(C(=O)Cc2noc(C[NH2+]C[C@@H]3CCCO3)n2)CC1 ZINC001327022636 870619395 /nfs/dbraw/zinc/61/93/95/870619395.db2.gz QCBQUDFPWCWUFQ-AWEZNQCLSA-N 2 1 351.451 0.433 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087945 870662511 /nfs/dbraw/zinc/66/25/11/870662511.db2.gz USPPUMVLNYMISI-DOTOQJQBSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001327087945 870662518 /nfs/dbraw/zinc/66/25/18/870662518.db2.gz USPPUMVLNYMISI-DOTOQJQBSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001344276286 870798778 /nfs/dbraw/zinc/79/87/78/870798778.db2.gz QSPCVUFQIGHWMH-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCNS(C)(=O)=O)CC2)CC1 ZINC001327619859 870975235 /nfs/dbraw/zinc/97/52/35/870975235.db2.gz WQURIBTXKBWYMR-UHFFFAOYSA-N 2 1 374.551 0.190 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001344727523 870997145 /nfs/dbraw/zinc/99/71/45/870997145.db2.gz HOUPEMMUXXZCGA-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001344727523 870997159 /nfs/dbraw/zinc/99/71/59/870997159.db2.gz HOUPEMMUXXZCGA-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001344727523 870997168 /nfs/dbraw/zinc/99/71/68/870997168.db2.gz HOUPEMMUXXZCGA-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC001344784721 871026060 /nfs/dbraw/zinc/02/60/60/871026060.db2.gz PPFUSMRWHSGJIS-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001345184272 871216997 /nfs/dbraw/zinc/21/69/97/871216997.db2.gz HEKKEXYZRQYSBH-INIZCTEOSA-N 2 1 350.507 0.969 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001328799776 871632573 /nfs/dbraw/zinc/63/25/73/871632573.db2.gz OPKHHAFBAMKUPY-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346265014 871737662 /nfs/dbraw/zinc/73/76/62/871737662.db2.gz RTZNBFVSMILSBK-CVEARBPZSA-N 2 1 353.511 0.761 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@H](CO)C1)CC[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001329251963 871912359 /nfs/dbraw/zinc/91/23/59/871912359.db2.gz DOTHKWRXFNPURI-MHORFTMASA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@@H](CO)C1)CC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329251963 871912376 /nfs/dbraw/zinc/91/23/76/871912376.db2.gz DOTHKWRXFNPURI-MHORFTMASA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](O)[C@@H](CO)C1)CC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001329251963 871912395 /nfs/dbraw/zinc/91/23/95/871912395.db2.gz DOTHKWRXFNPURI-MHORFTMASA-N 2 1 374.598 0.045 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1)[C@H]1CCC[NH2+]1 ZINC001329491947 872065595 /nfs/dbraw/zinc/06/55/95/872065595.db2.gz YPKBTKKLVAKAMN-JKSUJKDBSA-N 2 1 357.520 0.391 20 0 FCADMP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1C[N@@H+](C)CCN1C ZINC001347186439 872210135 /nfs/dbraw/zinc/21/01/35/872210135.db2.gz NEAKXFPMBNEYFG-YESZJQIVSA-N 2 1 355.527 0.373 20 0 FCADMP CC[NH+](CC)C[C@@H]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C1 ZINC001332954508 873732460 /nfs/dbraw/zinc/73/24/60/873732460.db2.gz NWWRJCUNKSNHSL-INIZCTEOSA-N 2 1 351.499 0.564 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821599363 945737189 /nfs/dbraw/zinc/73/71/89/945737189.db2.gz PYZVLGJIKZUFHF-UHFFFAOYSA-N 2 1 359.478 0.815 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826038389 947416895 /nfs/dbraw/zinc/41/68/95/947416895.db2.gz MLRAXSKGBLTKFU-KRWDZBQOSA-N 2 1 359.478 0.469 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574925761 948976673 /nfs/dbraw/zinc/97/66/73/948976673.db2.gz DECKFGAQHOEWOS-NSHDSACASA-N 2 1 351.480 0.863 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926848 949025772 /nfs/dbraw/zinc/02/57/72/949025772.db2.gz YTULKASEMVFJHW-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711885 949560620 /nfs/dbraw/zinc/56/06/20/949560620.db2.gz NLTAJJQQSNZUPG-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711885 949560635 /nfs/dbraw/zinc/56/06/35/949560635.db2.gz NLTAJJQQSNZUPG-BBRMVZONSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713104 949592619 /nfs/dbraw/zinc/59/26/19/949592619.db2.gz VYDRWWMHNCWHNE-CJNGLKHVSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957338 949608700 /nfs/dbraw/zinc/60/87/00/949608700.db2.gz VIZBBBWNRCLCKF-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574963334 949749195 /nfs/dbraw/zinc/74/91/95/949749195.db2.gz IKLZZKNMIJFFNG-IHRRRGAJSA-N 2 1 372.477 0.933 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283680 949879645 /nfs/dbraw/zinc/87/96/45/949879645.db2.gz GRRWZHIMYYFKOF-CHWSQXEVSA-N 2 1 374.493 0.967 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570973974 950399106 /nfs/dbraw/zinc/39/91/06/950399106.db2.gz IVHMFOKLPKMTAM-HZPDHXFCSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974291 950405652 /nfs/dbraw/zinc/40/56/52/950405652.db2.gz LXCCPSQBBWIVRQ-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974291 950405663 /nfs/dbraw/zinc/40/56/63/950405663.db2.gz LXCCPSQBBWIVRQ-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001570974291 950405672 /nfs/dbraw/zinc/40/56/72/950405672.db2.gz LXCCPSQBBWIVRQ-JKSUJKDBSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001570975152 950432902 /nfs/dbraw/zinc/43/29/02/950432902.db2.gz YZPRNOPZWNAUSK-JKSUJKDBSA-N 2 1 355.446 0.651 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205159 950496481 /nfs/dbraw/zinc/49/64/81/950496481.db2.gz VSXINZYMYZYGGB-BLLLJJGKSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570981061 950567979 /nfs/dbraw/zinc/56/79/79/950567979.db2.gz BAKIAENZNXAIOH-HNNXBMFYSA-N 2 1 356.434 0.181 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981381 950587745 /nfs/dbraw/zinc/58/77/45/950587745.db2.gz KTJYSFPOTAYICO-IUODEOHRSA-N 2 1 356.434 0.181 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981808 950617867 /nfs/dbraw/zinc/61/78/67/950617867.db2.gz VPHCKJJRRKJTMF-QOZQQMKHSA-N 2 1 356.434 0.179 20 0 FCADMP O=C(NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001571052750 951828490 /nfs/dbraw/zinc/82/84/90/951828490.db2.gz ZAQJDEUICXKRGI-CYBMUJFWSA-N 2 1 368.445 0.443 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105241 951892182 /nfs/dbraw/zinc/89/21/82/951892182.db2.gz IHGXHCGHPHYCSW-BBRMVZONSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105241 951892188 /nfs/dbraw/zinc/89/21/88/951892188.db2.gz IHGXHCGHPHYCSW-BBRMVZONSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105244 951892266 /nfs/dbraw/zinc/89/22/66/951892266.db2.gz IHGXHCGHPHYCSW-XJKSGUPXSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105244 951892271 /nfs/dbraw/zinc/89/22/71/951892271.db2.gz IHGXHCGHPHYCSW-XJKSGUPXSA-N 2 1 373.461 0.039 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571064635 951977392 /nfs/dbraw/zinc/97/73/92/951977392.db2.gz VXJOGPVLDHMWSS-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571078990 952137422 /nfs/dbraw/zinc/13/74/22/952137422.db2.gz ZYHIMTKVYKXDCH-MGPQQGTHSA-N 2 1 370.461 0.475 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575147782 952200746 /nfs/dbraw/zinc/20/07/46/952200746.db2.gz WAFLJENLOXSBIX-UONOGXRCSA-N 2 1 372.477 0.817 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105219 952391249 /nfs/dbraw/zinc/39/12/49/952391249.db2.gz KEABLVIRZITION-XJKSGUPXSA-N 2 1 373.436 0.791 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000410956083 529697280 /nfs/dbraw/zinc/69/72/80/529697280.db2.gz VURIPDWWZFAIFS-ULQDDVLXSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000410956083 529697281 /nfs/dbraw/zinc/69/72/81/529697281.db2.gz VURIPDWWZFAIFS-ULQDDVLXSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC[C@H]21 ZINC000410780695 529799675 /nfs/dbraw/zinc/79/96/75/529799675.db2.gz UYORHUIBYWGXRB-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000410780695 529799676 /nfs/dbraw/zinc/79/96/76/529799676.db2.gz UYORHUIBYWGXRB-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000410780695 529799677 /nfs/dbraw/zinc/79/96/77/529799677.db2.gz UYORHUIBYWGXRB-BRSBDYLESA-N 2 1 362.518 0.872 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779164 529886401 /nfs/dbraw/zinc/88/64/01/529886401.db2.gz HLIIRJUTHUIDPM-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410430031 529907745 /nfs/dbraw/zinc/90/77/45/529907745.db2.gz DWFYHOOLJBVDEZ-UHFFFAOYSA-N 2 1 361.490 0.755 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000410752682 529931094 /nfs/dbraw/zinc/93/10/94/529931094.db2.gz IFBYIGAKTFFCCW-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410752682 529931095 /nfs/dbraw/zinc/93/10/95/529931095.db2.gz IFBYIGAKTFFCCW-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410752682 529931096 /nfs/dbraw/zinc/93/10/96/529931096.db2.gz IFBYIGAKTFFCCW-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000265422002 210131558 /nfs/dbraw/zinc/13/15/58/210131558.db2.gz WVVMWZLTQLOUGG-MRXNPFEDSA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331466915 215001454 /nfs/dbraw/zinc/00/14/54/215001454.db2.gz VKKBATPNCCWSRO-DRRXZNNHSA-N 2 1 350.507 0.809 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCSC1 ZINC000331540178 215011465 /nfs/dbraw/zinc/01/14/65/215011465.db2.gz PKIXURVDXPGELU-KEYYUXOJSA-N 2 1 354.520 0.093 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540141 215011927 /nfs/dbraw/zinc/01/19/27/215011927.db2.gz IBQJKLLABZWRNF-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540141 215011930 /nfs/dbraw/zinc/01/19/30/215011930.db2.gz IBQJKLLABZWRNF-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540132 215012226 /nfs/dbraw/zinc/01/22/26/215012226.db2.gz IBQJKLLABZWRNF-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540132 215012228 /nfs/dbraw/zinc/01/22/28/215012228.db2.gz IBQJKLLABZWRNF-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540135 215012345 /nfs/dbraw/zinc/01/23/45/215012345.db2.gz IBQJKLLABZWRNF-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000331540135 215012348 /nfs/dbraw/zinc/01/23/48/215012348.db2.gz IBQJKLLABZWRNF-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000331791949 215047044 /nfs/dbraw/zinc/04/70/44/215047044.db2.gz KLRHLUULHLLAIZ-NJAFHUGGSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000331791949 215047046 /nfs/dbraw/zinc/04/70/46/215047046.db2.gz KLRHLUULHLLAIZ-NJAFHUGGSA-N 2 1 358.486 0.567 20 0 FCADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)cn2)CC1 ZINC000331846611 215055179 /nfs/dbraw/zinc/05/51/79/215055179.db2.gz GHAGLXXZRMQNGE-IRXDYDNUSA-N 2 1 361.490 0.559 20 0 FCADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)cn2)CC1 ZINC000331846611 215055181 /nfs/dbraw/zinc/05/51/81/215055181.db2.gz GHAGLXXZRMQNGE-IRXDYDNUSA-N 2 1 361.490 0.559 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000332155538 215102489 /nfs/dbraw/zinc/10/24/89/215102489.db2.gz ODTMZFLCVAAVFS-LTIDMASMSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332162035 215103047 /nfs/dbraw/zinc/10/30/47/215103047.db2.gz QCNJOAQSQQJHJT-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000332156682 215103355 /nfs/dbraw/zinc/10/33/55/215103355.db2.gz ONTXAVCTFFVVQK-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000332156684 215103653 /nfs/dbraw/zinc/10/36/53/215103653.db2.gz ONTXAVCTFFVVQK-JTDSTZFVSA-N 2 1 350.507 0.920 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332212401 215110697 /nfs/dbraw/zinc/11/06/97/215110697.db2.gz KAERKAKMJRQTPN-XHSDSOJGSA-N 2 1 366.506 0.141 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H](C)C1 ZINC000332343397 215133512 /nfs/dbraw/zinc/13/35/12/215133512.db2.gz SOIJRXKNFTURDZ-WOYTXXSLSA-N 2 1 350.507 0.761 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000332419358 215150006 /nfs/dbraw/zinc/15/00/06/215150006.db2.gz NIOYVVXPSCZEMY-DLBZAZTESA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000332519929 215166069 /nfs/dbraw/zinc/16/60/69/215166069.db2.gz BTNJRHWALGRQBN-WBVHZDCISA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332507654 215163495 /nfs/dbraw/zinc/16/34/95/215163495.db2.gz TWRYVEVLHUJRQA-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000332552727 215179005 /nfs/dbraw/zinc/17/90/05/215179005.db2.gz QGIUFXSWQIFFHQ-BZUAXINKSA-N 2 1 366.506 0.141 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000332563116 215180009 /nfs/dbraw/zinc/18/00/09/215180009.db2.gz VZZHMVLVNYYZGV-HZPDHXFCSA-N 2 1 359.474 0.624 20 0 FCADMP C[C@H](CN1CCN(C)CC1)NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000332816458 215212498 /nfs/dbraw/zinc/21/24/98/215212498.db2.gz GXDWOZQLYSLIEV-IKGGRYGDSA-N 2 1 353.511 0.127 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000332849541 215215290 /nfs/dbraw/zinc/21/52/90/215215290.db2.gz UUVLAAMGAIHIJF-YESZJQIVSA-N 2 1 368.522 0.584 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000332849540 215215380 /nfs/dbraw/zinc/21/53/80/215215380.db2.gz UUVLAAMGAIHIJF-IXDOHACOSA-N 2 1 368.522 0.584 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)CC1 ZINC000333054919 215230296 /nfs/dbraw/zinc/23/02/96/215230296.db2.gz HNJWAGFKCFGMJG-UHFFFAOYSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333163335 215244387 /nfs/dbraw/zinc/24/43/87/215244387.db2.gz GVNQGXVPOAYJNZ-BBWFWOEESA-N 2 1 358.490 0.595 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC[C@H]21 ZINC000333258748 215255546 /nfs/dbraw/zinc/25/55/46/215255546.db2.gz DOSBWVNNXMWMDM-GDBMZVCRSA-N 2 1 359.478 0.834 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333381182 215272335 /nfs/dbraw/zinc/27/23/35/215272335.db2.gz NORIXNFGGWVSIG-INIZCTEOSA-N 2 1 351.495 0.465 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000333439690 215282001 /nfs/dbraw/zinc/28/20/01/215282001.db2.gz VWWZJIWOPOIMHI-WMLDXEAASA-N 2 1 369.535 0.030 20 0 FCADMP C[NH+]1CCC(CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333481809 215287457 /nfs/dbraw/zinc/28/74/57/215287457.db2.gz BNLPXSIRXAZUNI-MRXNPFEDSA-N 2 1 351.495 0.324 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333484394 215288298 /nfs/dbraw/zinc/28/82/98/215288298.db2.gz CMPOJMHQCOQMMM-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333484394 215288301 /nfs/dbraw/zinc/28/83/01/215288301.db2.gz CMPOJMHQCOQMMM-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CC1(C)CC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC(C)(C)[NH2+]1 ZINC000333466007 215285334 /nfs/dbraw/zinc/28/53/34/215285334.db2.gz ZXXHCNHEHCTDQB-HNNXBMFYSA-N 2 1 365.522 0.901 20 0 FCADMP C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C[NH+]1CCOCC1 ZINC000333496856 215290034 /nfs/dbraw/zinc/29/00/34/215290034.db2.gz CXJSJIDMAUTMDG-KBAYOESNSA-N 2 1 368.522 0.883 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333593376 215299430 /nfs/dbraw/zinc/29/94/30/215299430.db2.gz BFUNBFTXOQTUNG-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333593376 215299434 /nfs/dbraw/zinc/29/94/34/215299434.db2.gz BFUNBFTXOQTUNG-IKGGRYGDSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000333605522 215300674 /nfs/dbraw/zinc/30/06/74/215300674.db2.gz PZPXCYFOLQEMQZ-IRXDYDNUSA-N 2 1 365.522 0.857 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cn1C ZINC000333729029 215313520 /nfs/dbraw/zinc/31/35/20/215313520.db2.gz VVKTZSINPZZDKS-HNNXBMFYSA-N 2 1 355.508 0.425 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333767767 215317709 /nfs/dbraw/zinc/31/77/09/215317709.db2.gz BNALVOHFPHABSU-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333873299 215327484 /nfs/dbraw/zinc/32/74/84/215327484.db2.gz UWZRHKAALZKPMF-AEFFLSMTSA-N 2 1 365.522 0.759 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855635 215325223 /nfs/dbraw/zinc/32/52/23/215325223.db2.gz QVWONLPGBIOODP-DLBZAZTESA-N 2 1 365.522 0.842 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333894694 215328869 /nfs/dbraw/zinc/32/88/69/215328869.db2.gz HQMOHJGSHHKCCK-DLBZAZTESA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333902304 215329531 /nfs/dbraw/zinc/32/95/31/215329531.db2.gz ZLRGVJDBQNUDLM-GDBMZVCRSA-N 2 1 351.495 0.513 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000333908297 215330066 /nfs/dbraw/zinc/33/00/66/215330066.db2.gz WACBKMQLBCOJSY-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000333908297 215330069 /nfs/dbraw/zinc/33/00/69/215330069.db2.gz WACBKMQLBCOJSY-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000333933070 215331560 /nfs/dbraw/zinc/33/15/60/215331560.db2.gz HLIFMPOSQYZSQW-CVEARBPZSA-N 2 1 351.495 0.182 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000333935191 215331806 /nfs/dbraw/zinc/33/18/06/215331806.db2.gz JGMGRWCLZUJSMH-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000333934966 215332540 /nfs/dbraw/zinc/33/25/40/215332540.db2.gz IZXGBOBIGFOEKD-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934966 215332543 /nfs/dbraw/zinc/33/25/43/215332543.db2.gz IZXGBOBIGFOEKD-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934966 215332544 /nfs/dbraw/zinc/33/25/44/215332544.db2.gz IZXGBOBIGFOEKD-HOTGVXAUSA-N 2 1 351.495 0.324 20 0 FCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333938481 215333646 /nfs/dbraw/zinc/33/36/46/215333646.db2.gz MLSQJYMNOXMQLJ-MRXNPFEDSA-N 2 1 363.531 0.795 20 0 FCADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333938481 215333649 /nfs/dbraw/zinc/33/36/49/215333649.db2.gz MLSQJYMNOXMQLJ-MRXNPFEDSA-N 2 1 363.531 0.795 20 0 FCADMP Cc1nccn1CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285773217 213393628 /nfs/dbraw/zinc/39/36/28/213393628.db2.gz FDLBMYYIZQEUJL-RDJZCZTQSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773217 213393633 /nfs/dbraw/zinc/39/36/33/213393633.db2.gz FDLBMYYIZQEUJL-RDJZCZTQSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285773217 213393637 /nfs/dbraw/zinc/39/36/37/213393637.db2.gz FDLBMYYIZQEUJL-RDJZCZTQSA-N 2 1 359.474 0.783 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360846186 215372709 /nfs/dbraw/zinc/37/27/09/215372709.db2.gz DEKHEIHSLPEEOS-DLBZAZTESA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360846186 215372713 /nfs/dbraw/zinc/37/27/13/215372713.db2.gz DEKHEIHSLPEEOS-DLBZAZTESA-N 2 1 354.495 0.602 20 0 FCADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972399 215377069 /nfs/dbraw/zinc/37/70/69/215377069.db2.gz LWBCEXQKLDIDNF-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972399 215377071 /nfs/dbraw/zinc/37/70/71/215377071.db2.gz LWBCEXQKLDIDNF-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000360972399 215377075 /nfs/dbraw/zinc/37/70/75/215377075.db2.gz LWBCEXQKLDIDNF-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000285545929 213356480 /nfs/dbraw/zinc/35/64/80/213356480.db2.gz IFEONXSMHZRTJB-RHSMWYFYSA-N 2 1 371.485 0.897 20 0 FCADMP CNC(=O)NC(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285465363 213347286 /nfs/dbraw/zinc/34/72/86/213347286.db2.gz NGYWSFZKBVOFGI-UHFFFAOYSA-N 2 1 361.490 0.582 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000361369220 215392756 /nfs/dbraw/zinc/39/27/56/215392756.db2.gz ZCGVOSQFFHLXTR-BZSNNMDCSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000361369220 215392757 /nfs/dbraw/zinc/39/27/57/215392757.db2.gz ZCGVOSQFFHLXTR-BZSNNMDCSA-N 2 1 352.523 0.724 20 0 FCADMP C[NH+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000285359638 213330465 /nfs/dbraw/zinc/33/04/65/213330465.db2.gz SLIHDPSSUIDNDI-HNNXBMFYSA-N 2 1 350.444 0.525 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000930958693 674081895 /nfs/dbraw/zinc/08/18/95/674081895.db2.gz XSPWUHUDPZJGOK-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000930958693 674081897 /nfs/dbraw/zinc/08/18/97/674081897.db2.gz XSPWUHUDPZJGOK-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000930958693 674081899 /nfs/dbraw/zinc/08/18/99/674081899.db2.gz XSPWUHUDPZJGOK-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cn1 ZINC000284796027 213222767 /nfs/dbraw/zinc/22/27/67/213222767.db2.gz GKXWZPAAVDDWEN-CYBMUJFWSA-N 2 1 358.446 0.648 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000284749261 213212453 /nfs/dbraw/zinc/21/24/53/213212453.db2.gz CHKILXSCEUIODS-HNNXBMFYSA-N 2 1 373.501 0.761 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000284392822 213128779 /nfs/dbraw/zinc/12/87/79/213128779.db2.gz SPWGBMAHGRIDSZ-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000284392822 213128783 /nfs/dbraw/zinc/12/87/83/213128783.db2.gz SPWGBMAHGRIDSZ-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284392822 213128788 /nfs/dbraw/zinc/12/87/88/213128788.db2.gz SPWGBMAHGRIDSZ-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284392822 213128791 /nfs/dbraw/zinc/12/87/91/213128791.db2.gz SPWGBMAHGRIDSZ-RBUKOAKNSA-N 2 1 370.497 0.904 20 0 FCADMP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284306803 213107995 /nfs/dbraw/zinc/10/79/95/213107995.db2.gz OXYCBYQMZZUIFR-CQSZACIVSA-N 2 1 356.492 0.161 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284306803 213107997 /nfs/dbraw/zinc/10/79/97/213107997.db2.gz OXYCBYQMZZUIFR-CQSZACIVSA-N 2 1 356.492 0.161 20 0 FCADMP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988948 213050118 /nfs/dbraw/zinc/05/01/18/213050118.db2.gz PQHVVJMFKHYUFC-DOTOQJQBSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283988948 213050120 /nfs/dbraw/zinc/05/01/20/213050120.db2.gz PQHVVJMFKHYUFC-DOTOQJQBSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2ccnc2)C[N@H+]1Cc1ccccc1 ZINC000283991959 213049739 /nfs/dbraw/zinc/04/97/39/213049739.db2.gz OQZSNZHJYGCXHZ-NVXWUHKLSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C[NH+]1CCCC1 ZINC000283903503 213032719 /nfs/dbraw/zinc/03/27/19/213032719.db2.gz OVWPCZATFRSHGQ-GJZGRUSLSA-N 2 1 350.463 0.847 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000283895986 213029937 /nfs/dbraw/zinc/02/99/37/213029937.db2.gz CZWCVBYRUPCUMP-HNNXBMFYSA-N 2 1 350.463 0.943 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000283846558 213017603 /nfs/dbraw/zinc/01/76/03/213017603.db2.gz AXADSAKTBXRNLW-MRXNPFEDSA-N 2 1 368.453 0.239 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908196 237095889 /nfs/dbraw/zinc/09/58/89/237095889.db2.gz HQUGLJXHSSCGOV-BVBHFADKSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908196 237095898 /nfs/dbraw/zinc/09/58/98/237095898.db2.gz HQUGLJXHSSCGOV-BVBHFADKSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411908196 237095908 /nfs/dbraw/zinc/09/59/08/237095908.db2.gz HQUGLJXHSSCGOV-BVBHFADKSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411908196 237095912 /nfs/dbraw/zinc/09/59/12/237095912.db2.gz HQUGLJXHSSCGOV-BVBHFADKSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908201 237095573 /nfs/dbraw/zinc/09/55/73/237095573.db2.gz HQUGLJXHSSCGOV-YSHGAJCASA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000411908201 237095582 /nfs/dbraw/zinc/09/55/82/237095582.db2.gz HQUGLJXHSSCGOV-YSHGAJCASA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411908201 237095593 /nfs/dbraw/zinc/09/55/93/237095593.db2.gz HQUGLJXHSSCGOV-YSHGAJCASA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H]1C[C@H](O)C[NH+]1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411908201 237095604 /nfs/dbraw/zinc/09/56/04/237095604.db2.gz HQUGLJXHSSCGOV-YSHGAJCASA-N 2 1 361.486 0.847 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413239647 237297576 /nfs/dbraw/zinc/29/75/76/237297576.db2.gz JGNGCNJBUWDAMU-HNNXBMFYSA-N 2 1 370.494 0.234 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174226 216087856 /nfs/dbraw/zinc/08/78/56/216087856.db2.gz PJPUNHBNQPYIFM-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367195813 216090361 /nfs/dbraw/zinc/09/03/61/216090361.db2.gz LAEZFIZRAMVMDY-ICSRJNTNSA-N 2 1 371.529 0.703 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367195813 216090365 /nfs/dbraw/zinc/09/03/65/216090365.db2.gz LAEZFIZRAMVMDY-ICSRJNTNSA-N 2 1 371.529 0.703 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000246479922 209389755 /nfs/dbraw/zinc/38/97/55/209389755.db2.gz RMJQXJFLIUROLR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000246479922 209389760 /nfs/dbraw/zinc/38/97/60/209389760.db2.gz RMJQXJFLIUROLR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000246479922 209389762 /nfs/dbraw/zinc/38/97/62/209389762.db2.gz RMJQXJFLIUROLR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000245865417 209377180 /nfs/dbraw/zinc/37/71/80/209377180.db2.gz LHKPKVROEIHPMR-DLBZAZTESA-N 2 1 361.490 0.802 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000245865417 209377183 /nfs/dbraw/zinc/37/71/83/209377183.db2.gz LHKPKVROEIHPMR-DLBZAZTESA-N 2 1 361.490 0.802 20 0 FCADMP C[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237572711 209353544 /nfs/dbraw/zinc/35/35/44/209353544.db2.gz ZTNIEWNJRMKHOA-FQEVSTJZSA-N 2 1 358.486 0.979 20 0 FCADMP CC1C[C@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000368368478 216240066 /nfs/dbraw/zinc/24/00/66/216240066.db2.gz AVMCSMPLNRQNQG-ROUUACIJSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000359870672 223133170 /nfs/dbraw/zinc/13/31/70/223133170.db2.gz MJDIMBKMIXMYDM-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359870672 223133174 /nfs/dbraw/zinc/13/31/74/223133174.db2.gz MJDIMBKMIXMYDM-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000359870672 223133177 /nfs/dbraw/zinc/13/31/77/223133177.db2.gz MJDIMBKMIXMYDM-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)CC1=O ZINC000368598127 216269381 /nfs/dbraw/zinc/26/93/81/216269381.db2.gz MQCUDTUSXGLMGN-CWIFOLKKSA-N 2 1 350.507 0.822 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192167485 209297453 /nfs/dbraw/zinc/29/74/53/209297453.db2.gz RHIXKJKHRXNNCR-UHFFFAOYSA-N 2 1 355.527 0.234 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368992163 216330467 /nfs/dbraw/zinc/33/04/67/216330467.db2.gz MDGITJPZOZXKGZ-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369219454 216365640 /nfs/dbraw/zinc/36/56/40/216365640.db2.gz OHKWOXXTIUBXAB-OKZBNKHCSA-N 2 1 366.506 0.603 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369395169 216395145 /nfs/dbraw/zinc/39/51/45/216395145.db2.gz LDASNEOEOPXSOX-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369395169 216395148 /nfs/dbraw/zinc/39/51/48/216395148.db2.gz LDASNEOEOPXSOX-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369395169 216395151 /nfs/dbraw/zinc/39/51/51/216395151.db2.gz LDASNEOEOPXSOX-ZWKOTPCHSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000189927300 209263721 /nfs/dbraw/zinc/26/37/21/209263721.db2.gz OVCNHBQWOKXRRH-LMMKCTJWSA-N 2 1 362.518 0.792 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188799120 209237395 /nfs/dbraw/zinc/23/73/95/209237395.db2.gz RGIQBXFLUDFXHZ-UHFFFAOYSA-N 2 1 368.485 0.950 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188292075 209229327 /nfs/dbraw/zinc/22/93/27/209229327.db2.gz JVWUWSDJDOVTHS-MGPUTAFESA-N 2 1 374.485 0.932 20 0 FCADMP CN(CCN1C(=O)NC(C)(C)C1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326218 209228815 /nfs/dbraw/zinc/22/88/15/209228815.db2.gz JDEFQMBYEHTFEH-HXUWFJFHSA-N 2 1 374.485 0.886 20 0 FCADMP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188326218 209228822 /nfs/dbraw/zinc/22/88/22/209228822.db2.gz JDEFQMBYEHTFEH-HXUWFJFHSA-N 2 1 374.485 0.886 20 0 FCADMP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188326218 209228825 /nfs/dbraw/zinc/22/88/25/209228825.db2.gz JDEFQMBYEHTFEH-HXUWFJFHSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186610778 209192228 /nfs/dbraw/zinc/19/22/28/209192228.db2.gz NBAQWMWBTDBFCD-OAHLLOKOSA-N 2 1 356.536 0.484 20 0 FCADMP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000414730237 245314032 /nfs/dbraw/zinc/31/40/32/245314032.db2.gz AKANTJRPUZRVSW-OAHLLOKOSA-N 2 1 357.458 0.390 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000415069355 245345944 /nfs/dbraw/zinc/34/59/44/245345944.db2.gz SFWKOVPQOBOFPM-AWEZNQCLSA-N 2 1 363.462 0.942 20 0 FCADMP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[NH2+]1 ZINC000415116038 245347680 /nfs/dbraw/zinc/34/76/80/245347680.db2.gz HJMPFBYHUFAXGH-OLZOCXBDSA-N 2 1 370.475 0.073 20 0 FCADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c(OC)c1 ZINC000414968549 245336147 /nfs/dbraw/zinc/33/61/47/245336147.db2.gz CYQQEUXUTRCUSN-ZIAGYGMSSA-N 2 1 350.463 0.914 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000415321398 245384101 /nfs/dbraw/zinc/38/41/01/245384101.db2.gz YCOKMAJFMMMLJO-WMLDXEAASA-N 2 1 360.458 0.887 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000415321399 245384657 /nfs/dbraw/zinc/38/46/57/245384657.db2.gz YCOKMAJFMMMLJO-YOEHRIQHSA-N 2 1 360.458 0.887 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637010 217152070 /nfs/dbraw/zinc/15/20/70/217152070.db2.gz MIYMFNKLPMAWAL-JJXSEGSLSA-N 2 1 353.463 0.334 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637010 217152073 /nfs/dbraw/zinc/15/20/73/217152073.db2.gz MIYMFNKLPMAWAL-JJXSEGSLSA-N 2 1 353.463 0.334 20 0 FCADMP CCN(CC)C(=O)CN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374781180 217171998 /nfs/dbraw/zinc/17/19/98/217171998.db2.gz SCUVQUMSNGPDSG-UHFFFAOYSA-N 2 1 367.538 0.027 20 0 FCADMP CCN(CC)C(=O)CN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374781180 217172002 /nfs/dbraw/zinc/17/20/02/217172002.db2.gz SCUVQUMSNGPDSG-UHFFFAOYSA-N 2 1 367.538 0.027 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417550128 245706775 /nfs/dbraw/zinc/70/67/75/245706775.db2.gz UNPLRQUQRXMRHF-RHSMWYFYSA-N 2 1 361.490 0.778 20 0 FCADMP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901395 217332168 /nfs/dbraw/zinc/33/21/68/217332168.db2.gz BSKJXZHCFXDMGF-MRXNPFEDSA-N 2 1 354.495 0.108 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418521792 245794662 /nfs/dbraw/zinc/79/46/62/245794662.db2.gz HLQPAOPVIMCXQB-UHFFFAOYSA-N 2 1 352.426 0.349 20 0 FCADMP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000376269491 217377034 /nfs/dbraw/zinc/37/70/34/217377034.db2.gz IEUYTHKOXOIZTH-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418482706 245789394 /nfs/dbraw/zinc/78/93/94/245789394.db2.gz BISVCOXPKBTFNJ-MSOLQXFVSA-N 2 1 364.490 0.405 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376313955 217382735 /nfs/dbraw/zinc/38/27/35/217382735.db2.gz LMHNDDCODCAIIT-WZYMTQMTSA-N 2 1 353.511 0.709 20 0 FCADMP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434745 217399528 /nfs/dbraw/zinc/39/95/28/217399528.db2.gz JGUCBDZDYNCVLJ-DLBZAZTESA-N 2 1 367.538 0.517 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419128333 246002377 /nfs/dbraw/zinc/00/23/77/246002377.db2.gz AFSZGFHYNUYCBJ-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144334 246013813 /nfs/dbraw/zinc/01/38/13/246013813.db2.gz GRXIIPUANJIJBN-CABCVRRESA-N 2 1 364.515 0.945 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419163860 246027394 /nfs/dbraw/zinc/02/73/94/246027394.db2.gz KWJRZIOVKJCPBD-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000419164627 246027474 /nfs/dbraw/zinc/02/74/74/246027474.db2.gz AECWBEQZDVGNFU-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419166623 246030298 /nfs/dbraw/zinc/03/02/98/246030298.db2.gz HQXCFMJPPFKQAE-ZWKOTPCHSA-N 2 1 358.486 0.535 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419171575 246031703 /nfs/dbraw/zinc/03/17/03/246031703.db2.gz PGDUSAGDPUQNFG-ZWKOTPCHSA-N 2 1 358.486 0.617 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419170574 246033166 /nfs/dbraw/zinc/03/31/66/246033166.db2.gz NWIZKTUCAFQYAG-GVDBMIGSSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419170898 246033516 /nfs/dbraw/zinc/03/35/16/246033516.db2.gz OGMZTROLVAXXRI-GHTZIAJQSA-N 2 1 372.513 0.865 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000419183424 246039644 /nfs/dbraw/zinc/03/96/44/246039644.db2.gz MHPMIWMQGXAIKW-HZPDHXFCSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C1 ZINC000419212987 246058629 /nfs/dbraw/zinc/05/86/29/246058629.db2.gz KYBRQKUCXKHYIE-MRXNPFEDSA-N 2 1 358.486 0.967 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419220663 246060882 /nfs/dbraw/zinc/06/08/82/246060882.db2.gz VGJNSEWMNNEWTI-KRWDZBQOSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223464 246061034 /nfs/dbraw/zinc/06/10/34/246061034.db2.gz DAMBXHVHIMUISW-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000419219564 246062226 /nfs/dbraw/zinc/06/22/26/246062226.db2.gz UBFHHLNIPYSCST-HNNXBMFYSA-N 2 1 358.486 0.870 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419225188 246063614 /nfs/dbraw/zinc/06/36/14/246063614.db2.gz GRWNGDICVXLCKE-BPQIPLTHSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419225460 246064490 /nfs/dbraw/zinc/06/44/90/246064490.db2.gz HBQNBHJRRBVQDW-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@@H+]1CCc2sccc2C1 ZINC000419227282 246065840 /nfs/dbraw/zinc/06/58/40/246065840.db2.gz FHYTWJHXHWEBQF-LBPRGKRZSA-N 2 1 350.488 0.609 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+]1CCc2sccc2C1 ZINC000419227282 246065845 /nfs/dbraw/zinc/06/58/45/246065845.db2.gz FHYTWJHXHWEBQF-LBPRGKRZSA-N 2 1 350.488 0.609 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229637 246066810 /nfs/dbraw/zinc/06/68/10/246066810.db2.gz PBMDQZBLCDRWJR-WBVHZDCISA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419230504 246067703 /nfs/dbraw/zinc/06/77/03/246067703.db2.gz IUYVPIULBGANPX-FZMZJTMJSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419230504 246067707 /nfs/dbraw/zinc/06/77/07/246067707.db2.gz IUYVPIULBGANPX-FZMZJTMJSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000419234949 246069789 /nfs/dbraw/zinc/06/97/89/246069789.db2.gz YEXFZEFTHKXXMI-JZXOWHBKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419231320 246070913 /nfs/dbraw/zinc/07/09/13/246070913.db2.gz JUXLSODNMTTZDC-ZDUSSCGKSA-N 2 1 362.499 0.647 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419231320 246070921 /nfs/dbraw/zinc/07/09/21/246070921.db2.gz JUXLSODNMTTZDC-ZDUSSCGKSA-N 2 1 362.499 0.647 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419233883 246071065 /nfs/dbraw/zinc/07/10/65/246071065.db2.gz WVPZNORLGKCKKC-UAGQMJEPSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419238459 246074463 /nfs/dbraw/zinc/07/44/63/246074463.db2.gz POUJCKQXTHOPKW-ZIAGYGMSSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419238459 246074468 /nfs/dbraw/zinc/07/44/68/246074468.db2.gz POUJCKQXTHOPKW-ZIAGYGMSSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419241666 246074602 /nfs/dbraw/zinc/07/46/02/246074602.db2.gz RYJFIDOVWYOYQY-DZGCQCFKSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419241666 246074607 /nfs/dbraw/zinc/07/46/07/246074607.db2.gz RYJFIDOVWYOYQY-DZGCQCFKSA-N 2 1 364.515 0.951 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419267243 246081591 /nfs/dbraw/zinc/08/15/91/246081591.db2.gz IQPYDSWDPPRDOJ-ZWKOTPCHSA-N 2 1 374.485 0.521 20 0 FCADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NCC1C[NH2+]C1 ZINC000419339038 246104208 /nfs/dbraw/zinc/10/42/08/246104208.db2.gz CSBYELGJKITZML-INIZCTEOSA-N 2 1 364.877 0.929 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419386666 246126480 /nfs/dbraw/zinc/12/64/80/246126480.db2.gz BVYLCXDCNGCXNM-CVEARBPZSA-N 2 1 362.499 0.280 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419386666 246126484 /nfs/dbraw/zinc/12/64/84/246126484.db2.gz BVYLCXDCNGCXNM-CVEARBPZSA-N 2 1 362.499 0.280 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419385204 246126671 /nfs/dbraw/zinc/12/66/71/246126671.db2.gz ACUOAQUTZXENBU-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385624 246127278 /nfs/dbraw/zinc/12/72/78/246127278.db2.gz APNCJLQEERIKDX-INIZCTEOSA-N 2 1 364.515 0.446 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385624 246127286 /nfs/dbraw/zinc/12/72/86/246127286.db2.gz APNCJLQEERIKDX-INIZCTEOSA-N 2 1 364.515 0.446 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387201 246127593 /nfs/dbraw/zinc/12/75/93/246127593.db2.gz CKVBZQLASFTJNJ-GDBMZVCRSA-N 2 1 364.515 0.431 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387201 246127601 /nfs/dbraw/zinc/12/76/01/246127601.db2.gz CKVBZQLASFTJNJ-GDBMZVCRSA-N 2 1 364.515 0.431 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419417312 246149028 /nfs/dbraw/zinc/14/90/28/246149028.db2.gz XGPQVZKUPIKZDU-YUTCNCBUSA-N 2 1 368.503 0.696 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419417013 246150224 /nfs/dbraw/zinc/15/02/24/246150224.db2.gz HPDNJROOKNSWIJ-JTDSTZFVSA-N 2 1 352.523 0.977 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCCC1 ZINC000419397862 246131969 /nfs/dbraw/zinc/13/19/69/246131969.db2.gz WBGVIFMHOBXALW-UHFFFAOYSA-N 2 1 358.486 0.939 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000419397862 246131974 /nfs/dbraw/zinc/13/19/74/246131974.db2.gz WBGVIFMHOBXALW-UHFFFAOYSA-N 2 1 358.486 0.939 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419397082 246132018 /nfs/dbraw/zinc/13/20/18/246132018.db2.gz UEXAZBRKHCFUEF-DOTOQJQBSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419397082 246132021 /nfs/dbraw/zinc/13/20/21/246132021.db2.gz UEXAZBRKHCFUEF-DOTOQJQBSA-N 2 1 358.486 0.665 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419399046 246134390 /nfs/dbraw/zinc/13/43/90/246134390.db2.gz YIRJXXIGPKXJIV-HXUWFJFHSA-N 2 1 356.470 0.373 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419399046 246134393 /nfs/dbraw/zinc/13/43/93/246134393.db2.gz YIRJXXIGPKXJIV-HXUWFJFHSA-N 2 1 356.470 0.373 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399832 246134659 /nfs/dbraw/zinc/13/46/59/246134659.db2.gz ZTLWERMWBNWVBI-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399832 246134662 /nfs/dbraw/zinc/13/46/62/246134662.db2.gz ZTLWERMWBNWVBI-MAUKXSAKSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000419404337 246137864 /nfs/dbraw/zinc/13/78/64/246137864.db2.gz FXLZXXKXTFZFEC-CWQOZTLDSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406003 246138707 /nfs/dbraw/zinc/13/87/07/246138707.db2.gz VUNQEGMJVDEZKB-ZFWWWQNUSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406003 246138712 /nfs/dbraw/zinc/13/87/12/246138712.db2.gz VUNQEGMJVDEZKB-ZFWWWQNUSA-N 2 1 350.488 0.184 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000419407263 246139495 /nfs/dbraw/zinc/13/94/95/246139495.db2.gz JYLXNGTYDFLZJU-ARLBYUKCSA-N 2 1 364.515 0.971 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419405104 246139720 /nfs/dbraw/zinc/13/97/20/246139720.db2.gz GYZXWLILAWDSRC-OAHLLOKOSA-N 2 1 368.428 0.650 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419405104 246139724 /nfs/dbraw/zinc/13/97/24/246139724.db2.gz GYZXWLILAWDSRC-OAHLLOKOSA-N 2 1 368.428 0.650 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419408202 246141624 /nfs/dbraw/zinc/14/16/24/246141624.db2.gz ZZCKQEMKINNVDX-ZBFHGGJFSA-N 2 1 364.515 0.574 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419408202 246141627 /nfs/dbraw/zinc/14/16/27/246141627.db2.gz ZZCKQEMKINNVDX-ZBFHGGJFSA-N 2 1 364.515 0.574 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccsc1 ZINC000419411959 246145246 /nfs/dbraw/zinc/14/52/46/246145246.db2.gz QEXTZPYAAYWHFR-BPLDGKMQSA-N 2 1 350.488 0.535 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419423953 246156999 /nfs/dbraw/zinc/15/69/99/246156999.db2.gz NSFVWOFOOJJJII-GOSISDBHSA-N 2 1 374.485 0.046 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419430505 246158036 /nfs/dbraw/zinc/15/80/36/246158036.db2.gz VXPXZAPZYRCJJX-BBWFWOEESA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419449547 246168732 /nfs/dbraw/zinc/16/87/32/246168732.db2.gz KFYLVJYEZFJELN-HOTGVXAUSA-N 2 1 361.490 0.119 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419530362 246193248 /nfs/dbraw/zinc/19/32/48/246193248.db2.gz ZCAQLUFECJGZSH-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501442 246182980 /nfs/dbraw/zinc/18/29/80/246182980.db2.gz DRPZYCFKVYAAMS-IAGOWNOFSA-N 2 1 373.501 0.121 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419503267 246184099 /nfs/dbraw/zinc/18/40/99/246184099.db2.gz CWRBGFVUDHCSGZ-GHTZIAJQSA-N 2 1 370.497 0.837 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419510897 246185516 /nfs/dbraw/zinc/18/55/16/246185516.db2.gz WSFJVXWNTYLZNI-NUJGCVRESA-N 2 1 358.486 0.834 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528321 246192790 /nfs/dbraw/zinc/19/27/90/246192790.db2.gz CAMNZOGAIXQJNE-IAGOWNOFSA-N 2 1 362.474 0.290 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525140 246192922 /nfs/dbraw/zinc/19/29/22/246192922.db2.gz CXAWWCJVXFHVJJ-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419528551 246192951 /nfs/dbraw/zinc/19/29/51/246192951.db2.gz WJNGNIVPFJJXMB-XIRDDKMYSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419477003 246175987 /nfs/dbraw/zinc/17/59/87/246175987.db2.gz HDHBKQGANRGUPH-IXDOHACOSA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000419475546 246176598 /nfs/dbraw/zinc/17/65/98/246176598.db2.gz FAPAYYIOSXCPCD-IXDOHACOSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000419556945 246201305 /nfs/dbraw/zinc/20/13/05/246201305.db2.gz LMHXKRPFXGGEQZ-RANZSIQMSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419715899 246268695 /nfs/dbraw/zinc/26/86/95/246268695.db2.gz ZZDKUUFOXIHFCX-KYHPRHEASA-N 2 1 358.486 0.974 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419717441 246268759 /nfs/dbraw/zinc/26/87/59/246268759.db2.gz BHQPHIWHZUCCML-IAGOWNOFSA-N 2 1 366.506 0.206 20 0 FCADMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419695997 246254146 /nfs/dbraw/zinc/25/41/46/246254146.db2.gz NTLDLHYXYSAPIC-KRWDZBQOSA-N 2 1 373.501 0.811 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000419704424 246258907 /nfs/dbraw/zinc/25/89/07/246258907.db2.gz GMKHFPLHEUVVAG-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000419709267 246263619 /nfs/dbraw/zinc/26/36/19/246263619.db2.gz OPVJFHFAAKYGGK-TZMCWYRMSA-N 2 1 354.401 0.476 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000419709267 246263625 /nfs/dbraw/zinc/26/36/25/246263625.db2.gz OPVJFHFAAKYGGK-TZMCWYRMSA-N 2 1 354.401 0.476 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H](C[NH3+])C1 ZINC000419717985 246267215 /nfs/dbraw/zinc/26/72/15/246267215.db2.gz ACWSEFNPTYLZRH-OWCLPIDISA-N 2 1 352.479 0.084 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419717440 246267496 /nfs/dbraw/zinc/26/74/96/246267496.db2.gz BHQPHIWHZUCCML-DLBZAZTESA-N 2 1 366.506 0.206 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000419758264 246286725 /nfs/dbraw/zinc/28/67/25/246286725.db2.gz JUEODOGHBKHVPR-SJORKVTESA-N 2 1 362.449 0.727 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419757153 246287131 /nfs/dbraw/zinc/28/71/31/246287131.db2.gz IAEBTNIOJDJXJT-SFHVURJKSA-N 2 1 350.438 0.571 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)Cc1ccc(F)cc1 ZINC000419758623 246287383 /nfs/dbraw/zinc/28/73/83/246287383.db2.gz KHELEQMYALJNHG-UHFFFAOYSA-N 2 1 350.438 0.584 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419761527 246288744 /nfs/dbraw/zinc/28/87/44/246288744.db2.gz KJKAWXRSXVXVMU-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000419760815 246289163 /nfs/dbraw/zinc/28/91/63/246289163.db2.gz OHNPWCDROOPMPC-HZPDHXFCSA-N 2 1 350.438 0.760 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419800651 246298842 /nfs/dbraw/zinc/29/88/42/246298842.db2.gz IHRDMEQMEUUMFJ-MRXNPFEDSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419826991 246307498 /nfs/dbraw/zinc/30/74/98/246307498.db2.gz RJCKRYZVOPNFOC-RBSFLKMASA-N 2 1 362.474 0.375 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419833954 246313272 /nfs/dbraw/zinc/31/32/72/246313272.db2.gz ZTQNCNBQRBNVFW-OWCLPIDISA-N 2 1 360.458 0.601 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419851285 246322276 /nfs/dbraw/zinc/32/22/76/246322276.db2.gz ARXQPIAFZRPHOB-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@H+]1C ZINC000419851307 246322402 /nfs/dbraw/zinc/32/24/02/246322402.db2.gz NWYAKQYNXIGLRP-KRWDZBQOSA-N 2 1 361.490 0.476 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860229 246329206 /nfs/dbraw/zinc/32/92/06/246329206.db2.gz KRCWEYSHQZYXNF-MSOLQXFVSA-N 2 1 373.501 0.748 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419860886 246331173 /nfs/dbraw/zinc/33/11/73/246331173.db2.gz LISXAXMCVADGLB-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419878140 246346042 /nfs/dbraw/zinc/34/60/42/246346042.db2.gz YNBRHBIJJLFSBF-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419882960 246348342 /nfs/dbraw/zinc/34/83/42/246348342.db2.gz CVIXMOPBNYSMCU-UHFFFAOYSA-N 2 1 360.502 0.879 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890304 246354734 /nfs/dbraw/zinc/35/47/34/246354734.db2.gz LXZFUYCRUSBMPN-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890304 246354740 /nfs/dbraw/zinc/35/47/40/246354740.db2.gz LXZFUYCRUSBMPN-NUJGCVRESA-N 2 1 358.486 0.976 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419893948 246356305 /nfs/dbraw/zinc/35/63/05/246356305.db2.gz MZTPJFBHEOWQSS-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419899887 246360349 /nfs/dbraw/zinc/36/03/49/246360349.db2.gz ZSFRYJOJSKSCEM-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000419948725 246383232 /nfs/dbraw/zinc/38/32/32/246383232.db2.gz KNSNQJJKDZHXTK-INIZCTEOSA-N 2 1 367.538 0.025 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000420064802 246445981 /nfs/dbraw/zinc/44/59/81/246445981.db2.gz WOIGORCWRNKQPA-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cn1C ZINC000420364873 246551253 /nfs/dbraw/zinc/55/12/53/246551253.db2.gz DFNBERHMZJNBDX-UHFFFAOYSA-N 2 1 355.508 0.425 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000423040679 246954010 /nfs/dbraw/zinc/95/40/10/246954010.db2.gz USZNDIGXVROAFA-IEBWSBKVSA-N 2 1 372.513 0.817 20 0 FCADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423421522 247023836 /nfs/dbraw/zinc/02/38/36/247023836.db2.gz CJVBKSPQNPCLOW-VIBAHUMZSA-N 3 1 366.531 0.785 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@@H+]1C ZINC000423370459 247014167 /nfs/dbraw/zinc/01/41/67/247014167.db2.gz DMJOZNGNAOKXSJ-INIZCTEOSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@H+]1C ZINC000423370459 247014175 /nfs/dbraw/zinc/01/41/75/247014175.db2.gz DMJOZNGNAOKXSJ-INIZCTEOSA-N 2 1 354.495 0.141 20 0 FCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000423388813 247017962 /nfs/dbraw/zinc/01/79/62/247017962.db2.gz IZEWIXNLMSSMLN-FUHWJXTLSA-N 2 1 358.486 0.835 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H]1C ZINC000423391136 247018628 /nfs/dbraw/zinc/01/86/28/247018628.db2.gz PJJNBZYYTQYLHX-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H]1C ZINC000423391136 247018636 /nfs/dbraw/zinc/01/86/36/247018636.db2.gz PJJNBZYYTQYLHX-CABCVRRESA-N 2 1 350.507 0.918 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423529935 247044650 /nfs/dbraw/zinc/04/46/50/247044650.db2.gz QPYHIWNASJYWCQ-QFBILLFUSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423529935 247044655 /nfs/dbraw/zinc/04/46/55/247044655.db2.gz QPYHIWNASJYWCQ-QFBILLFUSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC[N@@H+]1CCOC ZINC000423587656 247066069 /nfs/dbraw/zinc/06/60/69/247066069.db2.gz FKDXZDZNODZHOP-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC[N@H+]1CCOC ZINC000423587656 247066073 /nfs/dbraw/zinc/06/60/73/247066073.db2.gz FKDXZDZNODZHOP-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423595300 247067652 /nfs/dbraw/zinc/06/76/52/247067652.db2.gz PSHVLWSGLGXSCD-HNNXBMFYSA-N 2 1 350.463 0.770 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000423450752 247029670 /nfs/dbraw/zinc/02/96/70/247029670.db2.gz UECIUZOLSLJQBQ-HZPDHXFCSA-N 2 1 368.522 0.247 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423452473 247029736 /nfs/dbraw/zinc/02/97/36/247029736.db2.gz WLQKSTQPIRZHFZ-MRXNPFEDSA-N 2 1 368.522 0.391 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000423453497 247029995 /nfs/dbraw/zinc/02/99/95/247029995.db2.gz XSPGMLWOGNFXDL-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470795 247032859 /nfs/dbraw/zinc/03/28/59/247032859.db2.gz GUGOIXNGDZLXAO-LULLPPNCSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000423481157 247034990 /nfs/dbraw/zinc/03/49/90/247034990.db2.gz PVRSIZWVHITLDB-RYQLBKOJSA-N 2 1 356.470 0.397 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501764 247036694 /nfs/dbraw/zinc/03/66/94/247036694.db2.gz DPOGBWXOVMRTIC-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501764 247036698 /nfs/dbraw/zinc/03/66/98/247036698.db2.gz DPOGBWXOVMRTIC-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532827 247043557 /nfs/dbraw/zinc/04/35/57/247043557.db2.gz VYCVXVRVXLYQHV-QAPCUYQASA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@H+]1CCOC ZINC000423532827 247043561 /nfs/dbraw/zinc/04/35/61/247043561.db2.gz VYCVXVRVXLYQHV-QAPCUYQASA-N 2 1 354.495 0.143 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423679279 247107604 /nfs/dbraw/zinc/10/76/04/247107604.db2.gz DLZTWTKUZMLALK-CVEARBPZSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423688434 247110407 /nfs/dbraw/zinc/11/04/07/247110407.db2.gz WUYUNNVHDONQPN-RDJZCZTQSA-N 3 1 367.538 0.199 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423688434 247110412 /nfs/dbraw/zinc/11/04/12/247110412.db2.gz WUYUNNVHDONQPN-RDJZCZTQSA-N 3 1 367.538 0.199 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000423621952 247078873 /nfs/dbraw/zinc/07/88/73/247078873.db2.gz LOBVUBDORZJXIQ-HOCLYGCPSA-N 2 1 352.479 0.038 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423640080 247088500 /nfs/dbraw/zinc/08/85/00/247088500.db2.gz VIVPGNFLMVHVHZ-LJQANCHMSA-N 2 1 362.474 0.772 20 0 FCADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423645529 247089800 /nfs/dbraw/zinc/08/98/00/247089800.db2.gz KUUDUMIVVHFIRE-FHWLQOOXSA-N 2 1 370.497 0.917 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423643668 247089970 /nfs/dbraw/zinc/08/99/70/247089970.db2.gz CWKWWSYUHBWCPH-QZTJIDSGSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423643668 247089974 /nfs/dbraw/zinc/08/99/74/247089974.db2.gz CWKWWSYUHBWCPH-QZTJIDSGSA-N 2 1 358.486 0.440 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000423666637 247100672 /nfs/dbraw/zinc/10/06/72/247100672.db2.gz KDZBIGUWNCNBPH-VQIMIIECSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000423666637 247100677 /nfs/dbraw/zinc/10/06/77/247100677.db2.gz KDZBIGUWNCNBPH-VQIMIIECSA-N 2 1 372.513 0.958 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423666789 247103809 /nfs/dbraw/zinc/10/38/09/247103809.db2.gz IULILMCYCFFPFH-UHFFFAOYSA-N 2 1 358.486 0.918 20 0 FCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423928412 247152699 /nfs/dbraw/zinc/15/26/99/247152699.db2.gz SAJZDBMSBFKACG-RDBSUJKOSA-N 2 1 352.458 0.964 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424151660 247174411 /nfs/dbraw/zinc/17/44/11/247174411.db2.gz HKTAHJQKWDGFAP-INIZCTEOSA-N 2 1 363.510 0.206 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1C ZINC000424490989 247237571 /nfs/dbraw/zinc/23/75/71/247237571.db2.gz BKCNHKHZAVFUAI-HOTGVXAUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1C ZINC000424490989 247237574 /nfs/dbraw/zinc/23/75/74/247237574.db2.gz BKCNHKHZAVFUAI-HOTGVXAUSA-N 2 1 350.507 0.776 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000424496654 247241448 /nfs/dbraw/zinc/24/14/48/247241448.db2.gz UVUHIEVTIXFWCI-CQSZACIVSA-N 2 1 354.495 0.141 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)CC[NH2+]CC2 ZINC000424501690 247242851 /nfs/dbraw/zinc/24/28/51/247242851.db2.gz FTPFWKAYBGBDDA-HUUCEWRRSA-N 2 1 362.474 0.989 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424518712 247249734 /nfs/dbraw/zinc/24/97/34/247249734.db2.gz IKSGXPGZTLGBHG-RCCFBDPRSA-N 2 1 356.470 0.588 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000424444565 247217216 /nfs/dbraw/zinc/21/72/16/247217216.db2.gz CPWIOPZDCIZOGW-HNNXBMFYSA-N 2 1 361.490 0.392 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000424455141 247224918 /nfs/dbraw/zinc/22/49/18/247224918.db2.gz MVOJYICEZBYWNF-UHFFFAOYSA-N 2 1 362.474 0.697 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000424545588 247257088 /nfs/dbraw/zinc/25/70/88/247257088.db2.gz LRYLOKIJUDYCHI-OAHLLOKOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543773 247257761 /nfs/dbraw/zinc/25/77/61/247257761.db2.gz JTAJEJPVFSEZPA-RBUKOAKNSA-N 2 1 368.481 0.755 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1)CC[NH2+]CC2 ZINC000424557973 247264082 /nfs/dbraw/zinc/26/40/82/247264082.db2.gz WLMJFRIADJAKID-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425403407 247337449 /nfs/dbraw/zinc/33/74/49/247337449.db2.gz OCNLGXIINVYNQU-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425403407 247337452 /nfs/dbraw/zinc/33/74/52/247337452.db2.gz OCNLGXIINVYNQU-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425403407 247337455 /nfs/dbraw/zinc/33/74/55/247337455.db2.gz OCNLGXIINVYNQU-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322410 247323872 /nfs/dbraw/zinc/32/38/72/247323872.db2.gz TUYQDAOELWOLFH-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCn1ccnc1C[N@H+](CCC(=O)NC(=O)NC)[C@H]1CC12CC[NH2+]CC2 ZINC000435693136 248010698 /nfs/dbraw/zinc/01/06/98/248010698.db2.gz SPRNZFJSBCEYMQ-AWEZNQCLSA-N 2 1 362.478 0.693 20 0 FCADMP CCn1ccnc1C[N@@H+](CCC(=O)NC(=O)NC)[C@H]1CC12CC[NH2+]CC2 ZINC000435693136 248010700 /nfs/dbraw/zinc/01/07/00/248010700.db2.gz SPRNZFJSBCEYMQ-AWEZNQCLSA-N 2 1 362.478 0.693 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000436062491 248031105 /nfs/dbraw/zinc/03/11/05/248031105.db2.gz RJGDEWVNNWZBAB-OAHLLOKOSA-N 2 1 372.469 0.992 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000439164494 248112259 /nfs/dbraw/zinc/11/22/59/248112259.db2.gz BTHAORWYFBNLIN-RDJZCZTQSA-N 2 1 368.522 0.483 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000440987744 248230043 /nfs/dbraw/zinc/23/00/43/248230043.db2.gz XITXTABCBZVFEJ-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442601490 248291574 /nfs/dbraw/zinc/29/15/74/248291574.db2.gz RJQZDLRVZZHQBF-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442601490 248291576 /nfs/dbraw/zinc/29/15/76/248291576.db2.gz RJQZDLRVZZHQBF-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442758720 248296155 /nfs/dbraw/zinc/29/61/55/248296155.db2.gz BOLNDVONTVEGNY-QWHCGFSZSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442758720 248296156 /nfs/dbraw/zinc/29/61/56/248296156.db2.gz BOLNDVONTVEGNY-QWHCGFSZSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773678 248296750 /nfs/dbraw/zinc/29/67/50/248296750.db2.gz XUEOZAUXMXJTOZ-XUXIUFHCSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773678 248296752 /nfs/dbraw/zinc/29/67/52/248296752.db2.gz XUEOZAUXMXJTOZ-XUXIUFHCSA-N 2 1 368.503 0.569 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000442778665 248296974 /nfs/dbraw/zinc/29/69/74/248296974.db2.gz KVHNHJUBKWKWIB-STQMWFEESA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000442778665 248296977 /nfs/dbraw/zinc/29/69/77/248296977.db2.gz KVHNHJUBKWKWIB-STQMWFEESA-N 2 1 351.447 0.998 20 0 FCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000441991942 248268752 /nfs/dbraw/zinc/26/87/52/248268752.db2.gz NIFMPKXWCNINNU-HNNXBMFYSA-N 2 1 360.458 0.918 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446369854 248387380 /nfs/dbraw/zinc/38/73/80/248387380.db2.gz OSYWKLXZSMOPMY-ZSZQSSIHSA-N 2 1 366.506 0.188 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c2ccccc2)CC1 ZINC000452345729 249306891 /nfs/dbraw/zinc/30/68/91/249306891.db2.gz FNJVKMJIIVXNJC-PMACEKPBSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c2ccccc2)CC1 ZINC000452345729 249306894 /nfs/dbraw/zinc/30/68/94/249306894.db2.gz FNJVKMJIIVXNJC-PMACEKPBSA-N 2 1 374.529 0.938 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349792 249310719 /nfs/dbraw/zinc/31/07/19/249310719.db2.gz CAOOFBKKKTUDIZ-RBUKOAKNSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349792 249310722 /nfs/dbraw/zinc/31/07/22/249310722.db2.gz CAOOFBKKKTUDIZ-RBUKOAKNSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452349792 249310727 /nfs/dbraw/zinc/31/07/27/249310727.db2.gz CAOOFBKKKTUDIZ-RBUKOAKNSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452349792 249310732 /nfs/dbraw/zinc/31/07/32/249310732.db2.gz CAOOFBKKKTUDIZ-RBUKOAKNSA-N 2 1 361.486 0.850 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000271019223 211317842 /nfs/dbraw/zinc/31/78/42/211317842.db2.gz BFBQMGBCZNCAFD-QGZVFWFLSA-N 2 1 374.489 0.249 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000270973652 211310188 /nfs/dbraw/zinc/31/01/88/211310188.db2.gz KENYMQUONPNKIA-HUUCEWRRSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)Cc1occc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000270973652 211310191 /nfs/dbraw/zinc/31/01/91/211310191.db2.gz KENYMQUONPNKIA-HUUCEWRRSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)Cc1occc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000270973652 211310193 /nfs/dbraw/zinc/31/01/93/211310193.db2.gz KENYMQUONPNKIA-HUUCEWRRSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+](Cc1cccc(C[N@H+](C)CC(C)(CO)CO)c1)CC(C)(CO)CO ZINC000270357327 211190047 /nfs/dbraw/zinc/19/00/47/211190047.db2.gz VUMUTDAFCIBESN-UHFFFAOYSA-N 2 1 368.518 0.532 20 0 FCADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007383 250021135 /nfs/dbraw/zinc/02/11/35/250021135.db2.gz BJGPXUFQWVZRQI-GDBMZVCRSA-N 2 1 363.458 0.914 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000472210025 250139688 /nfs/dbraw/zinc/13/96/88/250139688.db2.gz QGEJWJHUBCSFFQ-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000472210025 250139691 /nfs/dbraw/zinc/13/96/91/250139691.db2.gz QGEJWJHUBCSFFQ-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472759452 250179781 /nfs/dbraw/zinc/17/97/81/250179781.db2.gz ZXVPRUUITOVXFQ-DOTOQJQBSA-N 2 1 357.568 0.749 20 0 FCADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000473258138 250212499 /nfs/dbraw/zinc/21/24/99/250212499.db2.gz ZOPRDGGGQNTWPE-AZUAARDMSA-N 2 1 362.518 0.794 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000480887374 250293070 /nfs/dbraw/zinc/29/30/70/250293070.db2.gz WDUYXZWMOBOEAC-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480887374 250293075 /nfs/dbraw/zinc/29/30/75/250293075.db2.gz WDUYXZWMOBOEAC-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000480887374 250293079 /nfs/dbraw/zinc/29/30/79/250293079.db2.gz WDUYXZWMOBOEAC-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539420 250340000 /nfs/dbraw/zinc/34/00/00/250340000.db2.gz JFARQSHCAXNGIQ-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000066179389 208016004 /nfs/dbraw/zinc/01/60/04/208016004.db2.gz MBAIYEUFPQTKGH-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP C[N@H+](CCN1CC[NH+](CCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000066534279 208016093 /nfs/dbraw/zinc/01/60/93/208016093.db2.gz KNEZMUSPJLRKCH-UHFFFAOYSA-N 2 1 359.474 0.288 20 0 FCADMP C[N@@H+](CCN1CC[NH+](CCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000066534279 208016098 /nfs/dbraw/zinc/01/60/98/208016098.db2.gz KNEZMUSPJLRKCH-UHFFFAOYSA-N 2 1 359.474 0.288 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000072983462 208044858 /nfs/dbraw/zinc/04/48/58/208044858.db2.gz DCHBDTIUQJYSNG-CQSZACIVSA-N 2 1 356.430 0.924 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000105319003 208198846 /nfs/dbraw/zinc/19/88/46/208198846.db2.gz OQMHGXROJLBBME-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000105319003 208198854 /nfs/dbraw/zinc/19/88/54/208198854.db2.gz OQMHGXROJLBBME-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000105319003 208198859 /nfs/dbraw/zinc/19/88/59/208198859.db2.gz OQMHGXROJLBBME-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000111863981 208288413 /nfs/dbraw/zinc/28/84/13/208288413.db2.gz JWTRXARVGADYJP-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000111863981 208288419 /nfs/dbraw/zinc/28/84/19/208288419.db2.gz JWTRXARVGADYJP-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000116792664 208335252 /nfs/dbraw/zinc/33/52/52/208335252.db2.gz JEINFWYHDUETSA-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000118971288 208353179 /nfs/dbraw/zinc/35/31/79/208353179.db2.gz BYCZTXLRTRZZOO-OAHLLOKOSA-N 2 1 362.474 0.942 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000118955161 208352358 /nfs/dbraw/zinc/35/23/58/208352358.db2.gz AGRYJENJUROIPP-UHFFFAOYSA-N 2 1 350.463 0.942 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000119932974 208370683 /nfs/dbraw/zinc/37/06/83/208370683.db2.gz LSWUIWHPEBYPJI-HXUWFJFHSA-N 2 1 374.529 0.549 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000119932974 208370689 /nfs/dbraw/zinc/37/06/89/208370689.db2.gz LSWUIWHPEBYPJI-HXUWFJFHSA-N 2 1 374.529 0.549 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000119932974 208370696 /nfs/dbraw/zinc/37/06/96/208370696.db2.gz LSWUIWHPEBYPJI-HXUWFJFHSA-N 2 1 374.529 0.549 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000266627634 210371642 /nfs/dbraw/zinc/37/16/42/210371642.db2.gz JLZMMGLKGLCBDR-KRWDZBQOSA-N 2 1 362.474 0.566 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000266491489 210345812 /nfs/dbraw/zinc/34/58/12/210345812.db2.gz JKIBKZVFBQLIHY-UHFFFAOYSA-N 2 1 365.478 0.890 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000177930099 209040526 /nfs/dbraw/zinc/04/05/26/209040526.db2.gz XIXMZEIICBYLLE-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000177930099 209040529 /nfs/dbraw/zinc/04/05/29/209040529.db2.gz XIXMZEIICBYLLE-HOTGVXAUSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320885 209047758 /nfs/dbraw/zinc/04/77/58/209047758.db2.gz XRZLEOJFRNMVDO-QFBILLFUSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320885 209047762 /nfs/dbraw/zinc/04/77/62/209047762.db2.gz XRZLEOJFRNMVDO-QFBILLFUSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@](O)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320885 209047764 /nfs/dbraw/zinc/04/77/64/209047764.db2.gz XRZLEOJFRNMVDO-QFBILLFUSA-N 2 1 353.507 0.840 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413489057 533478180 /nfs/dbraw/zinc/47/81/80/533478180.db2.gz QXWBFZHCRNBGJW-CVEARBPZSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+](C)C1 ZINC000413489057 533478187 /nfs/dbraw/zinc/47/81/87/533478187.db2.gz QXWBFZHCRNBGJW-CVEARBPZSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+](C)C1 ZINC000413489057 533478193 /nfs/dbraw/zinc/47/81/93/533478193.db2.gz QXWBFZHCRNBGJW-CVEARBPZSA-N 2 1 370.494 0.234 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000173921759 229210867 /nfs/dbraw/zinc/21/08/67/229210867.db2.gz KAYJPTYMTGGTGG-HNNXBMFYSA-N 2 1 352.483 0.803 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410730458 230220451 /nfs/dbraw/zinc/22/04/51/230220451.db2.gz BTNJRHWALGRQBN-DOTOQJQBSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000410939097 230316508 /nfs/dbraw/zinc/31/65/08/230316508.db2.gz QVMLUJHFKZHZBM-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000410939097 230316512 /nfs/dbraw/zinc/31/65/12/230316512.db2.gz QVMLUJHFKZHZBM-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410939097 230316516 /nfs/dbraw/zinc/31/65/16/230316516.db2.gz QVMLUJHFKZHZBM-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410939097 230316519 /nfs/dbraw/zinc/31/65/19/230316519.db2.gz QVMLUJHFKZHZBM-CVEARBPZSA-N 2 1 368.522 0.090 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963162 230329829 /nfs/dbraw/zinc/32/98/29/230329829.db2.gz MKACTFPDJXRYTB-WDSOQIARSA-N 2 1 372.513 0.934 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950471 674230856 /nfs/dbraw/zinc/23/08/56/674230856.db2.gz AXBPSYXGVSPLDL-GOEBONIOSA-N 2 1 368.503 0.016 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950471 674230857 /nfs/dbraw/zinc/23/08/57/674230857.db2.gz AXBPSYXGVSPLDL-GOEBONIOSA-N 2 1 368.503 0.016 20 0 FCADMP C[C@@]([NH3+])(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000278330291 488868902 /nfs/dbraw/zinc/86/89/02/488868902.db2.gz WDGHZLSDXUVROD-FQEVSTJZSA-N 2 1 368.485 0.979 20 0 FCADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208915 488936172 /nfs/dbraw/zinc/93/61/72/488936172.db2.gz AQSCNXUGFKPLCB-QUCCMNQESA-N 2 1 374.529 0.890 20 0 FCADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208915 488936174 /nfs/dbraw/zinc/93/61/74/488936174.db2.gz AQSCNXUGFKPLCB-QUCCMNQESA-N 2 1 374.529 0.890 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000364281683 488943437 /nfs/dbraw/zinc/94/34/37/488943437.db2.gz VWUYBTXANMCEAY-RBUKOAKNSA-N 2 1 360.502 0.812 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CC1 ZINC000328977602 488957281 /nfs/dbraw/zinc/95/72/81/488957281.db2.gz QMXWKSBZIKUTMW-IMBTUZDBSA-N 2 1 353.507 0.791 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CC1 ZINC000328977602 488957284 /nfs/dbraw/zinc/95/72/84/488957284.db2.gz QMXWKSBZIKUTMW-IMBTUZDBSA-N 2 1 353.507 0.791 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000054761988 488229223 /nfs/dbraw/zinc/22/92/23/488229223.db2.gz AKQJVXABEMOGDC-UHFFFAOYSA-N 2 1 361.490 0.628 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000054761988 488229225 /nfs/dbraw/zinc/22/92/25/488229225.db2.gz AKQJVXABEMOGDC-UHFFFAOYSA-N 2 1 361.490 0.628 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000569808515 491193763 /nfs/dbraw/zinc/19/37/63/491193763.db2.gz UHGYIIDAORWAIN-PMPSAXMXSA-N 2 1 352.479 0.004 20 0 FCADMP CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000066916821 488340398 /nfs/dbraw/zinc/34/03/98/488340398.db2.gz UNYGIPLHLSLTFZ-HNNXBMFYSA-N 2 1 357.524 0.940 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000073811551 488386660 /nfs/dbraw/zinc/38/66/60/488386660.db2.gz XHGYVCPKNOTWRN-NZSAHSFTSA-N 2 1 370.538 0.879 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000073967836 488386875 /nfs/dbraw/zinc/38/68/75/488386875.db2.gz AUIDKQWKGZRONV-SFHVURJKSA-N 2 1 356.511 0.633 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCN1CCOC(C)(C)C1 ZINC000182592292 488388590 /nfs/dbraw/zinc/38/85/90/488388590.db2.gz KOJWATXCCUOHFV-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000074345135 488391071 /nfs/dbraw/zinc/39/10/71/488391071.db2.gz DRQZALAAITYSKJ-INIZCTEOSA-N 2 1 353.511 0.749 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345554 488391173 /nfs/dbraw/zinc/39/11/73/488391173.db2.gz MZKWWAHHOACLER-HNNXBMFYSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)n1 ZINC000184417540 488396292 /nfs/dbraw/zinc/39/62/92/488396292.db2.gz MTOVNQGVPMOARM-UHFFFAOYSA-N 2 1 365.526 0.982 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185819459 488403143 /nfs/dbraw/zinc/40/31/43/488403143.db2.gz LENKHAIDIDSOIY-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000186913981 488408505 /nfs/dbraw/zinc/40/85/05/488408505.db2.gz GARWKDBLEWNWMW-HNNXBMFYSA-N 2 1 364.490 0.939 20 0 FCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000191417532 488419709 /nfs/dbraw/zinc/41/97/09/488419709.db2.gz GWGGFOZQZOBBGL-SFHVURJKSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000079097081 488427294 /nfs/dbraw/zinc/42/72/94/488427294.db2.gz YMOKBUQEDSVWJG-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000079188908 488428638 /nfs/dbraw/zinc/42/86/38/488428638.db2.gz RISRJNKUNHKCHZ-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP OCC[NH+](CCOCC[N@H+](CCO)Cc1cccnc1)Cc1cccnc1 ZINC000268653164 488439021 /nfs/dbraw/zinc/43/90/21/488439021.db2.gz KGBFJUSAYZRHBE-UHFFFAOYSA-N 2 1 374.485 0.782 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000081330958 488440752 /nfs/dbraw/zinc/44/07/52/488440752.db2.gz VZJNQGRRXXLKHL-KRWDZBQOSA-N 2 1 362.474 0.315 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000081330958 488440755 /nfs/dbraw/zinc/44/07/55/488440755.db2.gz VZJNQGRRXXLKHL-KRWDZBQOSA-N 2 1 362.474 0.315 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000554461942 491204428 /nfs/dbraw/zinc/20/44/28/491204428.db2.gz RUMQFEVHIUTYME-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000554461942 491204430 /nfs/dbraw/zinc/20/44/30/491204430.db2.gz RUMQFEVHIUTYME-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)CC1=O ZINC000246332040 488471502 /nfs/dbraw/zinc/47/15/02/488471502.db2.gz BAOFIOUZKADXIS-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000103313675 488501017 /nfs/dbraw/zinc/50/10/17/488501017.db2.gz NDFDNZGTXKFMOU-UHFFFAOYSA-N 2 1 351.495 0.420 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105223181 488508231 /nfs/dbraw/zinc/50/82/31/488508231.db2.gz MGCLHJUCZBEZOG-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000249501078 488510312 /nfs/dbraw/zinc/51/03/12/488510312.db2.gz XFLMYZKEZKBYEZ-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000249501078 488510313 /nfs/dbraw/zinc/51/03/13/488510313.db2.gz XFLMYZKEZKBYEZ-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000107328647 488517310 /nfs/dbraw/zinc/51/73/10/488517310.db2.gz KYVFOCKOLURZMD-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108570904 488520282 /nfs/dbraw/zinc/52/02/82/488520282.db2.gz OLCTZJJBZCHXQR-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108570904 488520283 /nfs/dbraw/zinc/52/02/83/488520283.db2.gz OLCTZJJBZCHXQR-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108570904 488520284 /nfs/dbraw/zinc/52/02/84/488520284.db2.gz OLCTZJJBZCHXQR-IAGOWNOFSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000109394595 488523124 /nfs/dbraw/zinc/52/31/24/488523124.db2.gz NMFWACUGPOYXHS-CQSZACIVSA-N 2 1 351.495 0.323 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000109394595 488523126 /nfs/dbraw/zinc/52/31/26/488523126.db2.gz NMFWACUGPOYXHS-CQSZACIVSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+]1CCCC1 ZINC000109395226 488523137 /nfs/dbraw/zinc/52/31/37/488523137.db2.gz SECMSSVTPOUHQB-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000261642060 488528870 /nfs/dbraw/zinc/52/88/70/488528870.db2.gz IMZYZSHJQRNNPP-CQSZACIVSA-N 2 1 350.488 0.420 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261647772 488528968 /nfs/dbraw/zinc/52/89/68/488528968.db2.gz DHPAFIOAGKGRFT-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261671604 488530082 /nfs/dbraw/zinc/53/00/82/488530082.db2.gz GGOUYXCNVOGOMX-LJQANCHMSA-N 2 1 360.502 0.804 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000261701932 488532020 /nfs/dbraw/zinc/53/20/20/488532020.db2.gz OVZDYIOKBCTKCU-AWEZNQCLSA-N 2 1 362.499 0.912 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000261701932 488532024 /nfs/dbraw/zinc/53/20/24/488532024.db2.gz OVZDYIOKBCTKCU-AWEZNQCLSA-N 2 1 362.499 0.912 20 0 FCADMP CC(C)N1CCC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261843560 488537935 /nfs/dbraw/zinc/53/79/35/488537935.db2.gz LSXATZGWJMAZKO-IKGGRYGDSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378451 488539773 /nfs/dbraw/zinc/53/97/73/488539773.db2.gz XFJMXOUJZOXRCP-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000262020225 488546479 /nfs/dbraw/zinc/54/64/79/488546479.db2.gz WASKEHZLXIEQGR-OAHLLOKOSA-N 2 1 365.478 0.350 20 0 FCADMP COc1cccc(CC(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262191267 488555919 /nfs/dbraw/zinc/55/59/19/488555919.db2.gz RPUVWVUNQJMHSA-UHFFFAOYSA-N 2 1 374.485 0.204 20 0 FCADMP COc1cc(NC(=O)C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cc(OC)c1 ZINC000262217921 488557781 /nfs/dbraw/zinc/55/77/81/488557781.db2.gz UFZUHNSYZKVDEY-UHFFFAOYSA-N 2 1 364.446 0.396 20 0 FCADMP COc1cc(NC(=O)C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cc(OC)c1 ZINC000262217921 488557783 /nfs/dbraw/zinc/55/77/83/488557783.db2.gz UFZUHNSYZKVDEY-UHFFFAOYSA-N 2 1 364.446 0.396 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000119699990 488558653 /nfs/dbraw/zinc/55/86/53/488558653.db2.gz KEZYQKSYIPRRGR-GOEBONIOSA-N 2 1 365.522 0.901 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000119699990 488558654 /nfs/dbraw/zinc/55/86/54/488558654.db2.gz KEZYQKSYIPRRGR-GOEBONIOSA-N 2 1 365.522 0.901 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262262895 488559930 /nfs/dbraw/zinc/55/99/30/488559930.db2.gz MIHPYLBDQFSQHB-KMFMINBZSA-N 2 1 360.458 0.699 20 0 FCADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262262895 488559931 /nfs/dbraw/zinc/55/99/31/488559931.db2.gz MIHPYLBDQFSQHB-KMFMINBZSA-N 2 1 360.458 0.699 20 0 FCADMP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000272041765 488560013 /nfs/dbraw/zinc/56/00/13/488560013.db2.gz DPFMOYLFDKCGJH-UHFFFAOYSA-N 2 1 358.490 0.895 20 0 FCADMP CSCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000272306242 488571803 /nfs/dbraw/zinc/57/18/03/488571803.db2.gz HWSKFFGZIMQJNO-INIZCTEOSA-N 2 1 364.515 0.771 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000262598834 488579998 /nfs/dbraw/zinc/57/99/98/488579998.db2.gz WNYZKFKZTYEFNH-YYIAUSFCSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccn1 ZINC000272656111 488595546 /nfs/dbraw/zinc/59/55/46/488595546.db2.gz GTOIHZWEOHEDKG-KRWDZBQOSA-N 2 1 364.490 0.989 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2nccc(C)n2n1 ZINC000125558797 488602499 /nfs/dbraw/zinc/60/24/99/488602499.db2.gz VKWKIEFPQUTGJH-OAHLLOKOSA-N 2 1 359.478 0.921 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000263829961 488629685 /nfs/dbraw/zinc/62/96/85/488629685.db2.gz UBZRWIDQYAMXTM-ZDUSSCGKSA-N 2 1 372.491 0.415 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1)N1CCCC1 ZINC000133431654 488659204 /nfs/dbraw/zinc/65/92/04/488659204.db2.gz DQTPNVAANNXLRY-OAHLLOKOSA-N 2 1 354.520 0.238 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1)N1CCCC1 ZINC000133431654 488659206 /nfs/dbraw/zinc/65/92/06/488659206.db2.gz DQTPNVAANNXLRY-OAHLLOKOSA-N 2 1 354.520 0.238 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000134144538 488665144 /nfs/dbraw/zinc/66/51/44/488665144.db2.gz FAQITUCFDDSOQC-CABCVRRESA-N 2 1 364.494 0.620 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000136874618 488679369 /nfs/dbraw/zinc/67/93/69/488679369.db2.gz KZMKNXPAWAKOGA-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000136874618 488679370 /nfs/dbraw/zinc/67/93/70/488679370.db2.gz KZMKNXPAWAKOGA-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000264523352 488681919 /nfs/dbraw/zinc/68/19/19/488681919.db2.gz INZSTCRBDOSWOT-GOSISDBHSA-N 2 1 373.501 0.841 20 0 FCADMP C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000264523352 488681921 /nfs/dbraw/zinc/68/19/21/488681921.db2.gz INZSTCRBDOSWOT-GOSISDBHSA-N 2 1 373.501 0.841 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CCCC1 ZINC000139006751 488683455 /nfs/dbraw/zinc/68/34/55/488683455.db2.gz CESDEZAOTZVBBT-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCCC1 ZINC000139006751 488683457 /nfs/dbraw/zinc/68/34/57/488683457.db2.gz CESDEZAOTZVBBT-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CCCC1 ZINC000139006751 488683459 /nfs/dbraw/zinc/68/34/59/488683459.db2.gz CESDEZAOTZVBBT-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[N@H+](CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000264790000 488711828 /nfs/dbraw/zinc/71/18/28/488711828.db2.gz COSAOPVKFUOLLK-UHFFFAOYSA-N 2 1 373.501 0.968 20 0 FCADMP C[N@@H+](CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000264790000 488711830 /nfs/dbraw/zinc/71/18/30/488711830.db2.gz COSAOPVKFUOLLK-UHFFFAOYSA-N 2 1 373.501 0.968 20 0 FCADMP CN(C(=O)CSCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153634501 488733759 /nfs/dbraw/zinc/73/37/59/488733759.db2.gz LVSIHGCKZUBXLW-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP CN(C(=O)CSCC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000153634501 488733762 /nfs/dbraw/zinc/73/37/62/488733762.db2.gz LVSIHGCKZUBXLW-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP CN(C(=O)CSCC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153634501 488733763 /nfs/dbraw/zinc/73/37/63/488733763.db2.gz LVSIHGCKZUBXLW-IYBDPMFKSA-N 2 1 370.563 0.825 20 0 FCADMP CN(CC(=O)NCCN1CCN(c2ncccn2)CC1)[C@@H]1CCSC1 ZINC000154604387 488745360 /nfs/dbraw/zinc/74/53/60/488745360.db2.gz BFPVDPXHVNQXGA-OAHLLOKOSA-N 2 1 364.519 0.152 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C(=O)N1CCCCC1 ZINC000563149564 491221576 /nfs/dbraw/zinc/22/15/76/491221576.db2.gz CEWKPWHTGRZDJJ-WBVHZDCISA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000163436546 488807533 /nfs/dbraw/zinc/80/75/33/488807533.db2.gz HYRGCJITYSLAFN-IAGOWNOFSA-N 2 1 356.511 0.347 20 0 FCADMP NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563154198 491222688 /nfs/dbraw/zinc/22/26/88/491222688.db2.gz SCGUKGYVFICJLO-KRWDZBQOSA-N 2 1 365.909 0.389 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000167215766 488812270 /nfs/dbraw/zinc/81/22/70/488812270.db2.gz LQEUHAUVDJGJJP-ROUUACIJSA-N 2 1 358.486 0.932 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000169212909 488812798 /nfs/dbraw/zinc/81/27/98/488812798.db2.gz YUTLKDLAIVPCPD-IRXDYDNUSA-N 2 1 360.458 0.780 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570189002 491223305 /nfs/dbraw/zinc/22/33/05/491223305.db2.gz VZWCQQOZUXRUSJ-GOEBONIOSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570189002 491223307 /nfs/dbraw/zinc/22/33/07/491223307.db2.gz VZWCQQOZUXRUSJ-GOEBONIOSA-N 2 1 362.474 0.246 20 0 FCADMP Cn1c2ncn(CC[N@H+](C)CC[C@@H]3CCCC[NH+]3C)c2c(=O)n(C)c1=O ZINC000173644491 488844062 /nfs/dbraw/zinc/84/40/62/488844062.db2.gz WUDKHLGSCZYESV-AWEZNQCLSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)c2c(=O)n(C)c1=O ZINC000173644491 488844063 /nfs/dbraw/zinc/84/40/63/488844063.db2.gz WUDKHLGSCZYESV-AWEZNQCLSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)c2c(=O)n(C)c1=O ZINC000173644491 488844064 /nfs/dbraw/zinc/84/40/64/488844064.db2.gz WUDKHLGSCZYESV-AWEZNQCLSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[NH+](C)CC[C@@H]3CCCC[N@H+]3C)c2c(=O)n(C)c1=O ZINC000173644491 488844065 /nfs/dbraw/zinc/84/40/65/488844065.db2.gz WUDKHLGSCZYESV-AWEZNQCLSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[N@H+](C)CC[C@H]3CCCC[NH+]3C)c2c(=O)n(C)c1=O ZINC000173644510 488844140 /nfs/dbraw/zinc/84/41/40/488844140.db2.gz WUDKHLGSCZYESV-CQSZACIVSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[N@@H+](C)CC[C@H]3CCCC[NH+]3C)c2c(=O)n(C)c1=O ZINC000173644510 488844141 /nfs/dbraw/zinc/84/41/41/488844141.db2.gz WUDKHLGSCZYESV-CQSZACIVSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[NH+](C)CC[C@H]3CCCC[N@@H+]3C)c2c(=O)n(C)c1=O ZINC000173644510 488844142 /nfs/dbraw/zinc/84/41/42/488844142.db2.gz WUDKHLGSCZYESV-CQSZACIVSA-N 2 1 362.478 0.240 20 0 FCADMP Cn1c2ncn(CC[NH+](C)CC[C@H]3CCCC[N@H+]3C)c2c(=O)n(C)c1=O ZINC000173644510 488844143 /nfs/dbraw/zinc/84/41/43/488844143.db2.gz WUDKHLGSCZYESV-CQSZACIVSA-N 2 1 362.478 0.240 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000173913698 488846230 /nfs/dbraw/zinc/84/62/30/488846230.db2.gz XUNKRIMVIZLQBB-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000173913698 488846231 /nfs/dbraw/zinc/84/62/31/488846231.db2.gz XUNKRIMVIZLQBB-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000175037159 488852844 /nfs/dbraw/zinc/85/28/44/488852844.db2.gz MQIMFOQPQZZOJO-KRWDZBQOSA-N 2 1 365.522 0.761 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000175037159 488852845 /nfs/dbraw/zinc/85/28/45/488852845.db2.gz MQIMFOQPQZZOJO-KRWDZBQOSA-N 2 1 365.522 0.761 20 0 FCADMP Cc1nccn1CCC[N@H+](C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178531000 488860465 /nfs/dbraw/zinc/86/04/65/488860465.db2.gz IKHDRXGDIQMFJY-UHFFFAOYSA-N 2 1 351.495 0.740 20 0 FCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178531000 488860466 /nfs/dbraw/zinc/86/04/66/488860466.db2.gz IKHDRXGDIQMFJY-UHFFFAOYSA-N 3 1 351.495 0.740 20 0 FCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178531000 488860467 /nfs/dbraw/zinc/86/04/67/488860467.db2.gz IKHDRXGDIQMFJY-UHFFFAOYSA-N 3 1 351.495 0.740 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1C[C@H](C)O ZINC000364738225 488994953 /nfs/dbraw/zinc/99/49/53/488994953.db2.gz UMMJCKHLNIBOCG-IPXJXJKCSA-N 2 1 353.507 0.823 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211188 491227708 /nfs/dbraw/zinc/22/77/08/491227708.db2.gz OLKMZUVRMBBSGI-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000570293379 491230804 /nfs/dbraw/zinc/23/08/04/491230804.db2.gz OUNDFHFETALXOT-UHFFFAOYSA-N 3 1 354.539 0.877 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000289075116 489039995 /nfs/dbraw/zinc/03/99/95/489039995.db2.gz OBWXLJVAHHQMNW-FSDCSDTHSA-N 2 1 359.474 0.892 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000570294904 491231795 /nfs/dbraw/zinc/23/17/95/491231795.db2.gz XHUKAWUNKXHERU-YDHLFZDLSA-N 2 1 350.488 0.725 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000289599291 489080770 /nfs/dbraw/zinc/08/07/70/489080770.db2.gz WMPOTCGDJTZDDD-UHFFFAOYSA-N 2 1 360.502 0.960 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329757 489091341 /nfs/dbraw/zinc/09/13/41/489091341.db2.gz MWBNITLWYAJTDS-OAHLLOKOSA-N 2 1 360.524 0.185 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329757 489091343 /nfs/dbraw/zinc/09/13/43/489091343.db2.gz MWBNITLWYAJTDS-OAHLLOKOSA-N 2 1 360.524 0.185 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365781269 489112909 /nfs/dbraw/zinc/11/29/09/489112909.db2.gz CLICXABQQAQKGF-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365781269 489112912 /nfs/dbraw/zinc/11/29/12/489112912.db2.gz CLICXABQQAQKGF-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000365976753 489131683 /nfs/dbraw/zinc/13/16/83/489131683.db2.gz DVBBWBJVKQKDQA-RBUKOAKNSA-N 2 1 361.486 0.979 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)cn2)CC1 ZINC000290390762 489136317 /nfs/dbraw/zinc/13/63/17/489136317.db2.gz IVAAQXRIVPWWNW-KRWDZBQOSA-N 2 1 358.490 0.673 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)cn2)CC1 ZINC000290390762 489136321 /nfs/dbraw/zinc/13/63/21/489136321.db2.gz IVAAQXRIVPWWNW-KRWDZBQOSA-N 2 1 358.490 0.673 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331379899 489203753 /nfs/dbraw/zinc/20/37/53/489203753.db2.gz GECSJXAQINVJIS-QEOTZNIISA-N 2 1 350.507 0.537 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000331380652 489204221 /nfs/dbraw/zinc/20/42/21/489204221.db2.gz JJDSXVHCGMZQFQ-IAGOWNOFSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000331396241 489205881 /nfs/dbraw/zinc/20/58/81/489205881.db2.gz FRSUOWJDZDLHLX-OAHLLOKOSA-N 2 1 366.506 0.476 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000331404168 489207185 /nfs/dbraw/zinc/20/71/85/489207185.db2.gz PVIHYPOQNCYIMY-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000331404168 489207188 /nfs/dbraw/zinc/20/71/88/489207188.db2.gz PVIHYPOQNCYIMY-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331404168 489207190 /nfs/dbraw/zinc/20/71/90/489207190.db2.gz PVIHYPOQNCYIMY-TWMKSMIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000331449695 489213372 /nfs/dbraw/zinc/21/33/72/489213372.db2.gz YZFPJJBYEFCKHJ-JYJNAYRXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331449695 489213374 /nfs/dbraw/zinc/21/33/74/489213374.db2.gz YZFPJJBYEFCKHJ-JYJNAYRXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331449695 489213376 /nfs/dbraw/zinc/21/33/76/489213376.db2.gz YZFPJJBYEFCKHJ-JYJNAYRXSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCCn1ccnc1)[N@H+]1CCc2ccccc2C1 ZINC000283102269 489215455 /nfs/dbraw/zinc/21/54/55/489215455.db2.gz AVINBVNKFQXZJH-INIZCTEOSA-N 2 1 369.469 0.952 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCn2cncc2C1 ZINC000297690144 489224761 /nfs/dbraw/zinc/22/47/61/489224761.db2.gz FERKQZXRVYQHEN-YOEHRIQHSA-N 2 1 357.458 0.701 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000332768452 489227605 /nfs/dbraw/zinc/22/76/05/489227605.db2.gz JJALPJVLURXPOE-KFWWJZLASA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000332768452 489227607 /nfs/dbraw/zinc/22/76/07/489227607.db2.gz JJALPJVLURXPOE-KFWWJZLASA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000332768452 489227611 /nfs/dbraw/zinc/22/76/11/489227611.db2.gz JJALPJVLURXPOE-KFWWJZLASA-N 2 1 354.520 0.235 20 0 FCADMP CCn1cc(CN2CCCN(C(=O)[C@H](NC)c3cnn(C)c3)CC2)cn1 ZINC000570447926 491241087 /nfs/dbraw/zinc/24/10/87/491241087.db2.gz DIJVAOFZUCYAMI-QGZVFWFLSA-N 2 1 359.478 0.632 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1C ZINC000332871729 489241637 /nfs/dbraw/zinc/24/16/37/489241637.db2.gz RWSPTQJYOUCURD-CWLKWCNXSA-N 2 1 368.522 0.461 20 0 FCADMP CN1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]21 ZINC000332948401 489249614 /nfs/dbraw/zinc/24/96/14/489249614.db2.gz YKVJRPAFTIOCIJ-SJORKVTESA-N 2 1 366.506 0.746 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC[C@@H]21 ZINC000297862563 489253515 /nfs/dbraw/zinc/25/35/15/489253515.db2.gz NDVZOJRHJRJTOA-SJORKVTESA-N 2 1 371.485 0.673 20 0 FCADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283407563 489255216 /nfs/dbraw/zinc/25/52/16/489255216.db2.gz KMUUGSUWEZGMFX-QZTJIDSGSA-N 2 1 370.497 0.978 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000297921701 489262328 /nfs/dbraw/zinc/26/23/28/489262328.db2.gz XVZBTAHRLSVQRU-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000297921701 489262331 /nfs/dbraw/zinc/26/23/31/489262331.db2.gz XVZBTAHRLSVQRU-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285860771 489327861 /nfs/dbraw/zinc/32/78/61/489327861.db2.gz YJZCCJVMSOKGHL-CQSZACIVSA-N 2 1 354.451 0.894 20 0 FCADMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285860771 489327862 /nfs/dbraw/zinc/32/78/62/489327862.db2.gz YJZCCJVMSOKGHL-CQSZACIVSA-N 2 1 354.451 0.894 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000298724918 489357645 /nfs/dbraw/zinc/35/76/45/489357645.db2.gz SELVAEVQEOUMPY-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000298724918 489357646 /nfs/dbraw/zinc/35/76/46/489357646.db2.gz SELVAEVQEOUMPY-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000286220083 489370013 /nfs/dbraw/zinc/37/00/13/489370013.db2.gz YUAHNMRKPIDEHA-INIZCTEOSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000286220083 489370015 /nfs/dbraw/zinc/37/00/15/489370015.db2.gz YUAHNMRKPIDEHA-INIZCTEOSA-N 2 1 364.490 0.318 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000286220083 489370016 /nfs/dbraw/zinc/37/00/16/489370016.db2.gz YUAHNMRKPIDEHA-INIZCTEOSA-N 2 1 364.490 0.318 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000570616933 491253408 /nfs/dbraw/zinc/25/34/08/491253408.db2.gz ZDLWKCHOTAHATJ-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000570616933 491253410 /nfs/dbraw/zinc/25/34/10/491253410.db2.gz ZDLWKCHOTAHATJ-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000570616933 491253413 /nfs/dbraw/zinc/25/34/13/491253413.db2.gz ZDLWKCHOTAHATJ-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(CN1CC[NH+](CCN2CC[NH2+]CC2)CC1)N1CCCc2ccccc21 ZINC000563538801 491253829 /nfs/dbraw/zinc/25/38/29/491253829.db2.gz HADKPGAPTJPOAU-UHFFFAOYSA-N 2 1 371.529 0.489 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286728192 489421731 /nfs/dbraw/zinc/42/17/31/489421731.db2.gz DZBUWQRBJQJMGO-CQSZACIVSA-N 2 1 364.494 0.196 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286728192 489421734 /nfs/dbraw/zinc/42/17/34/489421734.db2.gz DZBUWQRBJQJMGO-CQSZACIVSA-N 2 1 364.494 0.196 20 0 FCADMP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000570632989 491254364 /nfs/dbraw/zinc/25/43/64/491254364.db2.gz RHWDLZYSSMDCHC-QBPKDAKJSA-N 2 1 374.551 0.394 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000299236167 489422578 /nfs/dbraw/zinc/42/25/78/489422578.db2.gz HLBYDDWBEMIJOQ-GOSISDBHSA-N 2 1 373.501 0.968 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000299236167 489422582 /nfs/dbraw/zinc/42/25/82/489422582.db2.gz HLBYDDWBEMIJOQ-GOSISDBHSA-N 2 1 373.501 0.968 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1C ZINC000286777209 489428052 /nfs/dbraw/zinc/42/80/52/489428052.db2.gz IELJQCJUTZMDHY-CQSZACIVSA-N 2 1 362.478 0.189 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183138 489435038 /nfs/dbraw/zinc/43/50/38/489435038.db2.gz OHRZHFBACJNJLA-ROUUACIJSA-N 2 1 366.506 0.603 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021151 489439031 /nfs/dbraw/zinc/43/90/31/489439031.db2.gz XQHUVNWAPVDDRL-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021151 489439035 /nfs/dbraw/zinc/43/90/35/489439035.db2.gz XQHUVNWAPVDDRL-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021151 489439039 /nfs/dbraw/zinc/43/90/39/489439039.db2.gz XQHUVNWAPVDDRL-IRXDYDNUSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021574 489439261 /nfs/dbraw/zinc/43/92/61/489439261.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 2 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021574 489439263 /nfs/dbraw/zinc/43/92/63/489439263.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021574 489439265 /nfs/dbraw/zinc/43/92/65/489439265.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021574 489439266 /nfs/dbraw/zinc/43/92/66/489439266.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021574 489439268 /nfs/dbraw/zinc/43/92/68/489439268.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 3 1 353.511 0.175 20 0 FCADMP Cn1cc(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000299522536 489450821 /nfs/dbraw/zinc/45/08/21/489450821.db2.gz OXUJZRAKQNMZRF-UHFFFAOYSA-N 2 1 356.430 0.326 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000287101004 489461317 /nfs/dbraw/zinc/46/13/17/489461317.db2.gz DSPNRJQDKCKNGL-MRXNPFEDSA-N 2 1 364.490 0.835 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1C ZINC000287150737 489465284 /nfs/dbraw/zinc/46/52/84/489465284.db2.gz YLMHPUCAYVPZQJ-UKRRQHHQSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1C ZINC000287150737 489465286 /nfs/dbraw/zinc/46/52/86/489465286.db2.gz YLMHPUCAYVPZQJ-UKRRQHHQSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1C ZINC000287150737 489465289 /nfs/dbraw/zinc/46/52/89/489465289.db2.gz YLMHPUCAYVPZQJ-UKRRQHHQSA-N 2 1 362.478 0.045 20 0 FCADMP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000371240120 489469921 /nfs/dbraw/zinc/46/99/21/489469921.db2.gz BJENCJZYIUETRD-FQEVSTJZSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000371240120 489469924 /nfs/dbraw/zinc/46/99/24/489469924.db2.gz BJENCJZYIUETRD-FQEVSTJZSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000371240120 489469926 /nfs/dbraw/zinc/46/99/26/489469926.db2.gz BJENCJZYIUETRD-FQEVSTJZSA-N 2 1 371.529 0.440 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558157 489488159 /nfs/dbraw/zinc/48/81/59/489488159.db2.gz PIELFGUUAUCHCW-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[N@H+](CC)CC2)CC1=O ZINC000371558157 489488160 /nfs/dbraw/zinc/48/81/60/489488160.db2.gz PIELFGUUAUCHCW-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[N@@H+](CC)CC2)CC1=O ZINC000371558157 489488161 /nfs/dbraw/zinc/48/81/61/489488161.db2.gz PIELFGUUAUCHCW-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000570679764 491257019 /nfs/dbraw/zinc/25/70/19/491257019.db2.gz XWYFRPGDZGURSQ-GOEBONIOSA-N 2 1 362.478 0.125 20 0 FCADMP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423150019 489497445 /nfs/dbraw/zinc/49/74/45/489497445.db2.gz YLIHAOIUXHYFGJ-QZTJIDSGSA-N 2 1 374.485 0.296 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000423192431 489501485 /nfs/dbraw/zinc/50/14/85/489501485.db2.gz VGZDZGZOUPGKBY-OWCLPIDISA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000423192431 489501488 /nfs/dbraw/zinc/50/14/88/489501488.db2.gz VGZDZGZOUPGKBY-OWCLPIDISA-N 2 1 368.522 0.530 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570712527 491259388 /nfs/dbraw/zinc/25/93/88/491259388.db2.gz WLRPEFYYUVNCNF-KRWDZBQOSA-N 2 1 365.522 0.810 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1CC ZINC000423278388 489511223 /nfs/dbraw/zinc/51/12/23/489511223.db2.gz PUGDPVJAWHESLL-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1CC ZINC000423278388 489511226 /nfs/dbraw/zinc/51/12/26/489511226.db2.gz PUGDPVJAWHESLL-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000415378310 489516489 /nfs/dbraw/zinc/51/64/89/489516489.db2.gz MYSPIVQVTHIFGS-YOEHRIQHSA-N 2 1 360.458 0.887 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCC1 ZINC000555616504 491260137 /nfs/dbraw/zinc/26/01/37/491260137.db2.gz XMVDXVFIBNHXEH-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP CNc1nnc(CC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000371895037 489522797 /nfs/dbraw/zinc/52/27/97/489522797.db2.gz WHYLDIIBWHFCTL-ZDUSSCGKSA-N 2 1 352.508 0.749 20 0 FCADMP O=C1OC[C@H]2C[NH+](CCCCC[N@H+]3CCN4C(=O)OC[C@H]4C3)CCN12 ZINC000371998491 489533904 /nfs/dbraw/zinc/53/39/04/489533904.db2.gz LDUXOTZVPYAZSM-HUUCEWRRSA-N 2 1 352.435 0.430 20 0 FCADMP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425860745 489534273 /nfs/dbraw/zinc/53/42/73/489534273.db2.gz HNTGZAQSENYRSK-PKOBYXMFSA-N 2 1 370.497 0.930 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000563686859 491263228 /nfs/dbraw/zinc/26/32/28/491263228.db2.gz JPYSFSXZOOPERK-UHFFFAOYSA-N 2 1 370.538 0.602 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415672381 489540843 /nfs/dbraw/zinc/54/08/43/489540843.db2.gz LFEXOPLKBPKHHH-CALCHBBNSA-N 2 1 372.469 0.178 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425889663 489541693 /nfs/dbraw/zinc/54/16/93/489541693.db2.gz VFQNZQQAGHTIKI-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425889663 489541697 /nfs/dbraw/zinc/54/16/97/489541697.db2.gz VFQNZQQAGHTIKI-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091959 489543748 /nfs/dbraw/zinc/54/37/48/489543748.db2.gz MITUGIOAJUOGKZ-KRWDZBQOSA-N 2 1 373.501 0.876 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091959 489543752 /nfs/dbraw/zinc/54/37/52/489543752.db2.gz MITUGIOAJUOGKZ-KRWDZBQOSA-N 2 1 373.501 0.876 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000563667402 491261742 /nfs/dbraw/zinc/26/17/42/491261742.db2.gz RSNKYVNADBTETG-HNNXBMFYSA-N 2 1 356.492 0.987 20 0 FCADMP CC1(C)CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000415824312 489556014 /nfs/dbraw/zinc/55/60/14/489556014.db2.gz UTZBKKWPMHBQOG-UHFFFAOYSA-N 2 1 374.485 0.710 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000426226578 489559712 /nfs/dbraw/zinc/55/97/12/489559712.db2.gz IJILEHBCTOHRBD-GASCZTMLSA-N 2 1 369.510 0.077 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000426226578 489559715 /nfs/dbraw/zinc/55/97/15/489559715.db2.gz IJILEHBCTOHRBD-GASCZTMLSA-N 2 1 369.510 0.077 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1)C1CC1 ZINC000415866327 489561497 /nfs/dbraw/zinc/56/14/97/489561497.db2.gz VGTPNPJEUZWBCM-SFHVURJKSA-N 2 1 374.485 0.838 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000372234401 489562139 /nfs/dbraw/zinc/56/21/39/489562139.db2.gz UZOBYBJVYUXCCC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000372234401 489562142 /nfs/dbraw/zinc/56/21/42/489562142.db2.gz UZOBYBJVYUXCCC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000372234401 489562145 /nfs/dbraw/zinc/56/21/45/489562145.db2.gz UZOBYBJVYUXCCC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930966 489564835 /nfs/dbraw/zinc/56/48/35/489564835.db2.gz BAABYQFJCWFXAC-AWEZNQCLSA-N 2 1 363.462 0.733 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000555662397 491263442 /nfs/dbraw/zinc/26/34/42/491263442.db2.gz FBPKYKDCXVBTDA-CALCHBBNSA-N 2 1 370.538 0.837 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426551288 489575042 /nfs/dbraw/zinc/57/50/42/489575042.db2.gz YWRTURINGRRMBF-SJORKVTESA-N 2 1 354.495 0.386 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000563704971 491264331 /nfs/dbraw/zinc/26/43/31/491264331.db2.gz APSMIMRVOXIHCE-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP O=C(CNC(=O)NCC[N@H+]1CCCOCC1)NCC[NH+]1CCCCCC1 ZINC000454984278 489584196 /nfs/dbraw/zinc/58/41/96/489584196.db2.gz DSVOTQVVUBPPMW-UHFFFAOYSA-N 2 1 369.510 0.000 20 0 FCADMP O=C(CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000372509967 489592153 /nfs/dbraw/zinc/59/21/53/489592153.db2.gz ZPFYSGDBWRKTNB-YLJYHZDGSA-N 2 1 356.470 0.447 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000427273672 489600071 /nfs/dbraw/zinc/60/00/71/489600071.db2.gz JLZMYAMKVLJIBT-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000555697869 491266879 /nfs/dbraw/zinc/26/68/79/491266879.db2.gz BCLHTYAHOVMSNS-MSOLQXFVSA-N 2 1 360.502 0.876 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000417049934 489639736 /nfs/dbraw/zinc/63/97/36/489639736.db2.gz IEMRYKLWISEEBD-BHYGNILZSA-N 2 1 365.522 0.746 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417079746 489640500 /nfs/dbraw/zinc/64/05/00/489640500.db2.gz VYBKAVFSLCKGBS-JSGCOSHPSA-N 2 1 363.428 0.606 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000417118064 489642155 /nfs/dbraw/zinc/64/21/55/489642155.db2.gz SZWNCGNETQZGFS-HOTGVXAUSA-N 2 1 364.490 0.758 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372853406 489644223 /nfs/dbraw/zinc/64/42/23/489644223.db2.gz CGRFAKPBDAEWBP-FQEVSTJZSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000417221772 489644997 /nfs/dbraw/zinc/64/49/97/489644997.db2.gz ORSFHWIUGZGEJS-UHFFFAOYSA-N 2 1 351.520 0.701 20 0 FCADMP O=C(NCCCN1CC[NH2+]CC1)NCC[N@H+]1CCc2sccc2C1 ZINC000417221772 489644999 /nfs/dbraw/zinc/64/49/99/489644999.db2.gz ORSFHWIUGZGEJS-UHFFFAOYSA-N 2 1 351.520 0.701 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417242115 489645736 /nfs/dbraw/zinc/64/57/36/489645736.db2.gz SYCXIXJSOMIJHP-CVEARBPZSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]C[C@H]3O)c2)CCO1 ZINC000417265999 489646035 /nfs/dbraw/zinc/64/60/35/489646035.db2.gz DCEQCGJEOCIKJI-ZTFGCOKTSA-N 2 1 362.474 0.287 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]C[C@H]3O)c2)CCO1 ZINC000417265999 489646039 /nfs/dbraw/zinc/64/60/39/489646039.db2.gz DCEQCGJEOCIKJI-ZTFGCOKTSA-N 2 1 362.474 0.287 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000417267076 489646262 /nfs/dbraw/zinc/64/62/62/489646262.db2.gz GKQJHBDVGUQAJE-YJBOKZPZSA-N 2 1 362.474 0.776 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000417267076 489646263 /nfs/dbraw/zinc/64/62/63/489646263.db2.gz GKQJHBDVGUQAJE-YJBOKZPZSA-N 2 1 362.474 0.776 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270338 489646281 /nfs/dbraw/zinc/64/62/81/489646281.db2.gz NPVRSZBWKFOLRS-CRAIPNDOSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270338 489646282 /nfs/dbraw/zinc/64/62/82/489646282.db2.gz NPVRSZBWKFOLRS-CRAIPNDOSA-N 2 1 362.474 0.695 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417426417 489651903 /nfs/dbraw/zinc/65/19/03/489651903.db2.gz GNXOTXRDSJOKKM-JKSUJKDBSA-N 2 1 353.511 0.700 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000417497466 489656065 /nfs/dbraw/zinc/65/60/65/489656065.db2.gz BBTGARGSKRGLBL-MSOLQXFVSA-N 2 1 364.490 0.984 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000417506544 489656188 /nfs/dbraw/zinc/65/61/88/489656188.db2.gz MAFVRLTVSVDQPX-MRXNPFEDSA-N 2 1 353.511 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)C1 ZINC000417547814 489658153 /nfs/dbraw/zinc/65/81/53/489658153.db2.gz PEHIGOOAQUIJEB-KRWDZBQOSA-N 2 1 359.474 0.499 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)[C@H](C)C1 ZINC000417669053 489661002 /nfs/dbraw/zinc/66/10/02/489661002.db2.gz KRBLRGJLLCKAHE-ZACQAIPSSA-N 2 1 356.511 0.801 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000417663746 489661015 /nfs/dbraw/zinc/66/10/15/489661015.db2.gz AOQKSCCKLMQHCM-ZACQAIPSSA-N 2 1 355.527 0.326 20 0 FCADMP COc1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1OCC[NH+](C)C ZINC000417681355 489661144 /nfs/dbraw/zinc/66/11/44/489661144.db2.gz JQJPDQXONWWZIY-GOSISDBHSA-N 2 1 366.462 0.824 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417741149 489663633 /nfs/dbraw/zinc/66/36/33/489663633.db2.gz IMYFCULUSNISKY-IXDOHACOSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000417742809 489664160 /nfs/dbraw/zinc/66/41/60/489664160.db2.gz KSDXJNLJFKVTNN-ZACQAIPSSA-N 2 1 360.506 0.971 20 0 FCADMP CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900775 489669922 /nfs/dbraw/zinc/66/99/22/489669922.db2.gz VGIUMZARRKUJJL-QZTJIDSGSA-N 2 1 364.490 0.629 20 0 FCADMP CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900775 489669925 /nfs/dbraw/zinc/66/99/25/489669925.db2.gz VGIUMZARRKUJJL-QZTJIDSGSA-N 2 1 364.490 0.629 20 0 FCADMP [NH3+]CCN(CCO)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000417905475 489670209 /nfs/dbraw/zinc/67/02/09/489670209.db2.gz YFDUHSVXTFHYQK-UHFFFAOYSA-N 2 1 369.897 0.425 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373128099 489671009 /nfs/dbraw/zinc/67/10/09/489671009.db2.gz YIHDHQAEJMPLNA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373128099 489671012 /nfs/dbraw/zinc/67/10/12/489671012.db2.gz YIHDHQAEJMPLNA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373128099 489671015 /nfs/dbraw/zinc/67/10/15/489671015.db2.gz YIHDHQAEJMPLNA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC[N@H+]1C ZINC000418001086 489674704 /nfs/dbraw/zinc/67/47/04/489674704.db2.gz KHLSDOXAAXMHLU-YYIAUSFCSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@@H]1[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000417993667 489674850 /nfs/dbraw/zinc/67/48/50/489674850.db2.gz AUGGKTLCNGUJIM-UPJWGTAASA-N 2 1 351.417 0.604 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+](C2CC2)C1 ZINC000458404017 489681409 /nfs/dbraw/zinc/68/14/09/489681409.db2.gz AXTWBOFJGANIIY-HOTGVXAUSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404017 489681410 /nfs/dbraw/zinc/68/14/10/489681410.db2.gz AXTWBOFJGANIIY-HOTGVXAUSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404017 489681412 /nfs/dbraw/zinc/68/14/12/489681412.db2.gz AXTWBOFJGANIIY-HOTGVXAUSA-N 2 1 365.522 0.700 20 0 FCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000458411123 489681854 /nfs/dbraw/zinc/68/18/54/489681854.db2.gz AQLDUSALITTWIM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000458411123 489681857 /nfs/dbraw/zinc/68/18/57/489681857.db2.gz AQLDUSALITTWIM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000458411123 489681860 /nfs/dbraw/zinc/68/18/60/489681860.db2.gz AQLDUSALITTWIM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000418182689 489683132 /nfs/dbraw/zinc/68/31/32/489683132.db2.gz OBCNRAGNYGWCNN-ZSNVMCELSA-N 2 1 365.522 0.696 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)n2)CC1 ZINC000373273890 489683250 /nfs/dbraw/zinc/68/32/50/489683250.db2.gz YVAGIGDZBLCBIZ-UHFFFAOYSA-N 2 1 374.489 0.643 20 0 FCADMP O=C(NCCCCC[NH+]1CCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418209907 489684891 /nfs/dbraw/zinc/68/48/91/489684891.db2.gz CELJQPJSJHQNIB-KRWDZBQOSA-N 2 1 365.522 0.858 20 0 FCADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418207865 489685040 /nfs/dbraw/zinc/68/50/40/489685040.db2.gz VFNZAENKZKGFAP-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418207865 489685042 /nfs/dbraw/zinc/68/50/42/489685042.db2.gz VFNZAENKZKGFAP-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418359618 489693596 /nfs/dbraw/zinc/69/35/96/489693596.db2.gz ANMTYMCDFYKTQJ-IRXDYDNUSA-N 2 1 355.527 0.278 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000418536953 489704656 /nfs/dbraw/zinc/70/46/56/489704656.db2.gz HQAWGMIQMYPXFO-UHFFFAOYSA-N 2 1 351.495 0.492 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000418536953 489704659 /nfs/dbraw/zinc/70/46/59/489704659.db2.gz HQAWGMIQMYPXFO-UHFFFAOYSA-N 2 1 351.495 0.492 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418543866 489706264 /nfs/dbraw/zinc/70/62/64/489706264.db2.gz TXLYWZJMZYMQAT-HUUCEWRRSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418543866 489706265 /nfs/dbraw/zinc/70/62/65/489706265.db2.gz TXLYWZJMZYMQAT-HUUCEWRRSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418543862 489706485 /nfs/dbraw/zinc/70/64/85/489706485.db2.gz TXLYWZJMZYMQAT-CABCVRRESA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418543862 489706491 /nfs/dbraw/zinc/70/64/91/489706491.db2.gz TXLYWZJMZYMQAT-CABCVRRESA-N 2 1 356.417 0.763 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418562246 489707291 /nfs/dbraw/zinc/70/72/91/489707291.db2.gz QTISSHVYWRPKOO-QZTJIDSGSA-N 2 1 364.490 0.754 20 0 FCADMP COCC1(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC[NH2+]CC1 ZINC000418618705 489711383 /nfs/dbraw/zinc/71/13/83/489711383.db2.gz ASGNDTQLXMAZEC-OAHLLOKOSA-N 2 1 370.494 0.281 20 0 FCADMP COCC1(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC[NH2+]CC1 ZINC000418618705 489711388 /nfs/dbraw/zinc/71/13/88/489711388.db2.gz ASGNDTQLXMAZEC-OAHLLOKOSA-N 2 1 370.494 0.281 20 0 FCADMP COC[C@]1(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418650804 489715463 /nfs/dbraw/zinc/71/54/63/489715463.db2.gz GREGTLJQCPMQPI-GOSISDBHSA-N 2 1 355.527 0.470 20 0 FCADMP CCN1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000459046556 489715754 /nfs/dbraw/zinc/71/57/54/489715754.db2.gz LZABUOOIROAPBJ-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000418658989 489716328 /nfs/dbraw/zinc/71/63/28/489716328.db2.gz KYKABACMBXHGGE-CWRNSKLLSA-N 2 1 352.479 0.653 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000418658989 489716330 /nfs/dbraw/zinc/71/63/30/489716330.db2.gz KYKABACMBXHGGE-CWRNSKLLSA-N 2 1 352.479 0.653 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000489608272 489720335 /nfs/dbraw/zinc/72/03/35/489720335.db2.gz UCNITYCHGFRXJH-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000459152753 489720352 /nfs/dbraw/zinc/72/03/52/489720352.db2.gz JDRBWOSGGXZIAK-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000459152753 489720357 /nfs/dbraw/zinc/72/03/57/489720357.db2.gz JDRBWOSGGXZIAK-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[NH+](CCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000459152753 489720360 /nfs/dbraw/zinc/72/03/60/489720360.db2.gz JDRBWOSGGXZIAK-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418734532 489721288 /nfs/dbraw/zinc/72/12/88/489721288.db2.gz SOPURYHVQMQZHF-KVSKMBFKSA-N 2 1 364.465 0.885 20 0 FCADMP COC(=O)[C@H]([NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C1(OC)CCC1 ZINC000459357520 489729048 /nfs/dbraw/zinc/72/90/48/489729048.db2.gz JZMZVUDTYAMFMH-HNNXBMFYSA-N 2 1 355.479 0.487 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000555809730 491274497 /nfs/dbraw/zinc/27/44/97/491274497.db2.gz SMPKDAMKHITCDP-RBSFLKMASA-N 2 1 356.511 0.447 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810275 489733906 /nfs/dbraw/zinc/73/39/06/489733906.db2.gz HAFVNNLPNCBFEA-UZLBHIALSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000418829533 489743306 /nfs/dbraw/zinc/74/33/06/489743306.db2.gz HCGQUCRMUFACJB-PMPSAXMXSA-N 2 1 362.474 0.976 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000418831223 489744434 /nfs/dbraw/zinc/74/44/34/489744434.db2.gz KOJMTDYEIJJNES-UHFFFAOYSA-N 2 1 352.479 0.006 20 0 FCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418832222 489744637 /nfs/dbraw/zinc/74/46/37/489744637.db2.gz LZBSTVRIJJOWOJ-HZPDHXFCSA-N 2 1 366.506 0.381 20 0 FCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430545173 489745256 /nfs/dbraw/zinc/74/52/56/489745256.db2.gz HLOYDROBFZFGFV-OAHLLOKOSA-N 2 1 356.492 0.968 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418834378 489745762 /nfs/dbraw/zinc/74/57/62/489745762.db2.gz ODGGCESQXLFADM-MRXNPFEDSA-N 2 1 366.506 0.206 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418834534 489745889 /nfs/dbraw/zinc/74/58/89/489745889.db2.gz MGSRGRDEDOXDSB-OWCLPIDISA-N 2 1 360.458 0.886 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000418837295 489748055 /nfs/dbraw/zinc/74/80/55/489748055.db2.gz AHZKMYLQQOFTOI-NJAFHUGGSA-N 2 1 358.486 0.820 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000430598080 489749560 /nfs/dbraw/zinc/74/95/60/489749560.db2.gz BQECWCUNDGQEIR-AWEZNQCLSA-N 2 1 362.478 0.724 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000430598080 489749563 /nfs/dbraw/zinc/74/95/63/489749563.db2.gz BQECWCUNDGQEIR-AWEZNQCLSA-N 2 1 362.478 0.724 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599852 489750384 /nfs/dbraw/zinc/75/03/84/489750384.db2.gz BKHNLJIWCVWBRA-WMLDXEAASA-N 2 1 362.449 0.932 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599852 489750388 /nfs/dbraw/zinc/75/03/88/489750388.db2.gz BKHNLJIWCVWBRA-WMLDXEAASA-N 2 1 362.449 0.932 20 0 FCADMP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606569 489751755 /nfs/dbraw/zinc/75/17/55/489751755.db2.gz WHUWOCGZAZHLSB-WMZOPIPTSA-N 2 1 360.502 0.829 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C[C@@H](C)N1 ZINC000418842364 489752188 /nfs/dbraw/zinc/75/21/88/489752188.db2.gz ZVWUJWCTHZTNFR-NUJGCVRESA-N 2 1 374.485 0.212 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000474298223 489752172 /nfs/dbraw/zinc/75/21/72/489752172.db2.gz HRJZAEDMLRZNNY-MRXNPFEDSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000474298223 489752177 /nfs/dbraw/zinc/75/21/77/489752177.db2.gz HRJZAEDMLRZNNY-MRXNPFEDSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000474298223 489752181 /nfs/dbraw/zinc/75/21/81/489752181.db2.gz HRJZAEDMLRZNNY-MRXNPFEDSA-N 2 1 351.495 0.490 20 0 FCADMP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430608209 489752601 /nfs/dbraw/zinc/75/26/01/489752601.db2.gz DTBFLYKDOFQQFR-GDBMZVCRSA-N 2 1 362.474 0.487 20 0 FCADMP [NH3+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000418849053 489755500 /nfs/dbraw/zinc/75/55/00/489755500.db2.gz AHZGDXXAJIHSOC-OAHLLOKOSA-N 2 1 352.866 0.886 20 0 FCADMP [NH3+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000418849053 489755505 /nfs/dbraw/zinc/75/55/05/489755505.db2.gz AHZGDXXAJIHSOC-OAHLLOKOSA-N 2 1 352.866 0.886 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000418850041 489755792 /nfs/dbraw/zinc/75/57/92/489755792.db2.gz NLLOLWXKIFRPSG-HUUCEWRRSA-N 2 1 350.463 0.514 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620186 489756253 /nfs/dbraw/zinc/75/62/53/489756253.db2.gz BVUUFCXCJVXFRV-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630323 489757110 /nfs/dbraw/zinc/75/71/10/489757110.db2.gz YELZYRHRUKNMJN-KRWDZBQOSA-N 2 1 374.485 0.455 20 0 FCADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430626825 489757437 /nfs/dbraw/zinc/75/74/37/489757437.db2.gz SHRREHLPTIUKHF-MRXNPFEDSA-N 2 1 374.485 0.761 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632627 489759555 /nfs/dbraw/zinc/75/95/55/489759555.db2.gz YEHPZHSWYWTDQP-UONOGXRCSA-N 2 1 367.494 0.320 20 0 FCADMP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632072 489759588 /nfs/dbraw/zinc/75/95/88/489759588.db2.gz WUUJPWTWFASVIS-CYBMUJFWSA-N 2 1 366.428 0.820 20 0 FCADMP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632072 489759592 /nfs/dbraw/zinc/75/95/92/489759592.db2.gz WUUJPWTWFASVIS-CYBMUJFWSA-N 2 1 366.428 0.820 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000418856722 489760220 /nfs/dbraw/zinc/76/02/20/489760220.db2.gz XKDFKPMVBHVNNP-LZWOXQAQSA-N 2 1 362.474 0.658 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000418856720 489760246 /nfs/dbraw/zinc/76/02/46/489760246.db2.gz XKDFKPMVBHVNNP-DZKIICNBSA-N 2 1 362.474 0.658 20 0 FCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638080 489760912 /nfs/dbraw/zinc/76/09/12/489760912.db2.gz CBXSOOQWGNFFSN-RDJZCZTQSA-N 2 1 374.489 0.059 20 0 FCADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376613277 489761157 /nfs/dbraw/zinc/76/11/57/489761157.db2.gz ODSANRVISAXYKQ-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652013 489763196 /nfs/dbraw/zinc/76/31/96/489763196.db2.gz WQIWMAAWPZSEOL-DZGCQCFKSA-N 2 1 350.438 0.617 20 0 FCADMP O=C([C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662786 489763640 /nfs/dbraw/zinc/76/36/40/489763640.db2.gz JACVHHQIILJHGA-SJLPKXTDSA-N 2 1 356.470 0.936 20 0 FCADMP O=C([C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662789 489764053 /nfs/dbraw/zinc/76/40/53/489764053.db2.gz JACVHHQIILJHGA-WMZOPIPTSA-N 2 1 356.470 0.936 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418863722 489764145 /nfs/dbraw/zinc/76/41/45/489764145.db2.gz PQXHNWGORLPZSX-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418870684 489768178 /nfs/dbraw/zinc/76/81/78/489768178.db2.gz YWFWOQJCINZRTN-SFHVURJKSA-N 2 1 370.497 0.979 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000430794080 489771526 /nfs/dbraw/zinc/77/15/26/489771526.db2.gz ZCNAJYRHVMEERX-QGZVFWFLSA-N 2 1 374.445 0.208 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000459862994 489772867 /nfs/dbraw/zinc/77/28/67/489772867.db2.gz IVZVFKGXSPGXAJ-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cn2)CC1 ZINC000430865026 489774480 /nfs/dbraw/zinc/77/44/80/489774480.db2.gz MLPQOIUXRAUBGU-QGZVFWFLSA-N 2 1 370.457 0.166 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883635 489774860 /nfs/dbraw/zinc/77/48/60/489774860.db2.gz VLBFRVVBSRLBLJ-DOTOQJQBSA-N 2 1 368.522 0.627 20 0 FCADMP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000430889109 489775272 /nfs/dbraw/zinc/77/52/72/489775272.db2.gz LJBDIBGRYBRKJA-MRXNPFEDSA-N 2 1 353.488 0.922 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000430889109 489775276 /nfs/dbraw/zinc/77/52/76/489775276.db2.gz LJBDIBGRYBRKJA-MRXNPFEDSA-N 2 1 353.488 0.922 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033416 489785536 /nfs/dbraw/zinc/78/55/36/489785536.db2.gz PAAFZKBYRNRAAY-KRWDZBQOSA-N 3 1 352.523 0.535 20 0 FCADMP CC(C)CN1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033416 489785540 /nfs/dbraw/zinc/78/55/40/489785540.db2.gz PAAFZKBYRNRAAY-KRWDZBQOSA-N 2 1 352.523 0.535 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459908585 489787360 /nfs/dbraw/zinc/78/73/60/489787360.db2.gz QPIISSOCBNGGGE-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH2+]CC1 ZINC000431088860 489787802 /nfs/dbraw/zinc/78/78/02/489787802.db2.gz XQLSHXSBPOUQJZ-UHFFFAOYSA-N 2 1 362.478 0.288 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000418917844 489791542 /nfs/dbraw/zinc/79/15/42/489791542.db2.gz IJPJXHOJWHNEAV-HOTGVXAUSA-N 2 1 354.495 0.047 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000418922827 489792021 /nfs/dbraw/zinc/79/20/21/489792021.db2.gz NCYZXLJHKVSBJR-OAGGEKHMSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000418928703 489794112 /nfs/dbraw/zinc/79/41/12/489794112.db2.gz VICNXHDWNJFFAA-YLFCFFPRSA-N 2 1 366.506 0.045 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376795881 489797422 /nfs/dbraw/zinc/79/74/22/489797422.db2.gz AGUAPPHDNXHXHH-WBVHZDCISA-N 2 1 365.522 0.807 20 0 FCADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376795880 489797500 /nfs/dbraw/zinc/79/75/00/489797500.db2.gz AGUAPPHDNXHXHH-RDJZCZTQSA-N 2 1 365.522 0.807 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418950149 489801765 /nfs/dbraw/zinc/80/17/65/489801765.db2.gz VTFGAOPIHCKIKU-RCCFBDPRSA-N 2 1 358.486 0.739 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418952943 489802825 /nfs/dbraw/zinc/80/28/25/489802825.db2.gz ZBWUFHBULBTOEV-KSZLIROESA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418970105 489807323 /nfs/dbraw/zinc/80/73/23/489807323.db2.gz WCHDMDIFSBTAKO-UICACZKSSA-N 2 1 362.449 0.678 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000459981101 489808036 /nfs/dbraw/zinc/80/80/36/489808036.db2.gz AOZITHMHLXUFOE-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459981101 489808038 /nfs/dbraw/zinc/80/80/38/489808038.db2.gz AOZITHMHLXUFOE-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459981101 489808041 /nfs/dbraw/zinc/80/80/41/489808041.db2.gz AOZITHMHLXUFOE-ULQDDVLXSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000419014148 489817735 /nfs/dbraw/zinc/81/77/35/489817735.db2.gz CGSGEKGVGYOISJ-KRWDZBQOSA-N 2 1 362.474 0.331 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419020431 489820796 /nfs/dbraw/zinc/82/07/96/489820796.db2.gz FTZPYEFDYBSUBD-CABCVRRESA-N 2 1 354.495 0.189 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1F ZINC000419021966 489821433 /nfs/dbraw/zinc/82/14/33/489821433.db2.gz HMESAAABCQJZOC-UHFFFAOYSA-N 2 1 359.405 0.934 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419022719 489821957 /nfs/dbraw/zinc/82/19/57/489821957.db2.gz VLHJYQDCYAAQMH-UHFFFAOYSA-N 2 1 368.428 0.999 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000460023740 489822208 /nfs/dbraw/zinc/82/22/08/489822208.db2.gz RYNUAIUGRCSVOR-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000460023740 489822209 /nfs/dbraw/zinc/82/22/09/489822209.db2.gz RYNUAIUGRCSVOR-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033140 489826807 /nfs/dbraw/zinc/82/68/07/489826807.db2.gz XVBHSRQTLUWIKS-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000419032273 489826816 /nfs/dbraw/zinc/82/68/16/489826816.db2.gz AVWUEUSBCUQOEL-HZMVEIRTSA-N 2 1 368.522 0.626 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000419036015 489828193 /nfs/dbraw/zinc/82/81/93/489828193.db2.gz GALZTVNEBYNHAW-QZWWFDLISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419047003 489832960 /nfs/dbraw/zinc/83/29/60/489832960.db2.gz RALJBVAKGKNMGN-YJBOKZPZSA-N 2 1 356.470 0.974 20 0 FCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419046998 489833369 /nfs/dbraw/zinc/83/33/69/489833369.db2.gz RALJBVAKGKNMGN-MAUKXSAKSA-N 2 1 356.470 0.974 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000460055265 489835626 /nfs/dbraw/zinc/83/56/26/489835626.db2.gz FXWYALPCZIOSNZ-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419051892 489835779 /nfs/dbraw/zinc/83/57/79/489835779.db2.gz CFONKDYAQJKNTO-FGTMMUONSA-N 2 1 374.485 0.199 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419056062 489837486 /nfs/dbraw/zinc/83/74/86/489837486.db2.gz KQXDHNFXTRCOFV-DJIMGWMZSA-N 2 1 362.474 0.103 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419057253 489838348 /nfs/dbraw/zinc/83/83/48/489838348.db2.gz NTJQXHVBYVAOIC-QZTJIDSGSA-N 2 1 374.485 0.072 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419062866 489839917 /nfs/dbraw/zinc/83/99/17/489839917.db2.gz HGNYEUYLYKUFAW-KFWWJZLASA-N 2 1 368.522 0.576 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419065396 489841624 /nfs/dbraw/zinc/84/16/24/489841624.db2.gz DHYADSMVFXAMIC-YJBOKZPZSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419065396 489841627 /nfs/dbraw/zinc/84/16/27/489841627.db2.gz DHYADSMVFXAMIC-YJBOKZPZSA-N 2 1 374.485 0.473 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000460072807 489842474 /nfs/dbraw/zinc/84/24/74/489842474.db2.gz ZXAVWHPQWGEWOH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@H+]1C ZINC000460072807 489842478 /nfs/dbraw/zinc/84/24/78/489842478.db2.gz ZXAVWHPQWGEWOH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419066546 489843133 /nfs/dbraw/zinc/84/31/33/489843133.db2.gz FJBJFZNWABYSCE-HNNXBMFYSA-N 2 1 362.474 0.201 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419066546 489843136 /nfs/dbraw/zinc/84/31/36/489843136.db2.gz FJBJFZNWABYSCE-HNNXBMFYSA-N 2 1 362.474 0.201 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419072260 489845356 /nfs/dbraw/zinc/84/53/56/489845356.db2.gz BFJXXKYEOBKHST-MRXNPFEDSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000564000984 491282770 /nfs/dbraw/zinc/28/27/70/491282770.db2.gz NZPYOHGWNRFBAY-OAHLLOKOSA-N 2 1 356.536 0.532 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078992 489848042 /nfs/dbraw/zinc/84/80/42/489848042.db2.gz TYJHDDNQFNDEPH-QAPCUYQASA-N 2 1 374.485 0.344 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078992 489848047 /nfs/dbraw/zinc/84/80/47/489848047.db2.gz TYJHDDNQFNDEPH-QAPCUYQASA-N 2 1 374.485 0.344 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419079962 489848524 /nfs/dbraw/zinc/84/85/24/489848524.db2.gz NYGBTTPTALMKHL-HZMVEIRTSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419082617 489849358 /nfs/dbraw/zinc/84/93/58/489849358.db2.gz JNRFSTKVJKBIQK-JJXSEGSLSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419088356 489851451 /nfs/dbraw/zinc/85/14/51/489851451.db2.gz RDUIKHAIAJRSAU-XUWVNRHRSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419088356 489851454 /nfs/dbraw/zinc/85/14/54/489851454.db2.gz RDUIKHAIAJRSAU-XUWVNRHRSA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000419089510 489852801 /nfs/dbraw/zinc/85/28/01/489852801.db2.gz TXLKMUICLHDZMZ-ZIAGYGMSSA-N 2 1 356.511 0.434 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419099490 489855330 /nfs/dbraw/zinc/85/53/30/489855330.db2.gz DUXCCGXVTRWJJC-IAGOWNOFSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000432849702 489855663 /nfs/dbraw/zinc/85/56/63/489855663.db2.gz BKLNYKLOAMBGOH-UHFFFAOYSA-N 2 1 368.503 0.191 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000419106855 489857223 /nfs/dbraw/zinc/85/72/23/489857223.db2.gz WMFJIDMPHLLILR-QGZVFWFLSA-N 2 1 373.501 1.299 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419110539 489858659 /nfs/dbraw/zinc/85/86/59/489858659.db2.gz CAFQPXOCYLPKSI-OIISXLGYSA-N 2 1 368.522 0.496 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000460264115 489859190 /nfs/dbraw/zinc/85/91/90/489859190.db2.gz VZLUETOURVPOLY-LJQANCHMSA-N 2 1 364.490 0.883 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000460265762 489860551 /nfs/dbraw/zinc/86/05/51/489860551.db2.gz ZEMCFGBMSIVQEB-SOLBZPMBSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@H](C)C1 ZINC000460265762 489860554 /nfs/dbraw/zinc/86/05/54/489860554.db2.gz ZEMCFGBMSIVQEB-SOLBZPMBSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000460265762 489860558 /nfs/dbraw/zinc/86/05/58/489860558.db2.gz ZEMCFGBMSIVQEB-SOLBZPMBSA-N 2 1 356.511 0.489 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419118077 489863379 /nfs/dbraw/zinc/86/33/79/489863379.db2.gz NQSVKGMEBBXKMQ-RDJZCZTQSA-N 2 1 368.522 0.308 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120118 489864134 /nfs/dbraw/zinc/86/41/34/489864134.db2.gz PRGPRMUTGYHEGS-UAGQMJEPSA-N 2 1 368.522 0.483 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419120165 489865494 /nfs/dbraw/zinc/86/54/94/489865494.db2.gz PTTWHOXBNCUUET-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000419125553 489868606 /nfs/dbraw/zinc/86/86/06/489868606.db2.gz KAUKLOLDEQWLLK-ULQDDVLXSA-N 2 1 367.538 0.103 20 0 FCADMP [NH3+]C1CCN(CCCC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000433180947 489871168 /nfs/dbraw/zinc/87/11/68/489871168.db2.gz WQQNZMDLZZSZHY-UHFFFAOYSA-N 2 1 352.523 0.761 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000377234748 489873232 /nfs/dbraw/zinc/87/32/32/489873232.db2.gz PZGUIFLBFYJMSU-ALOPSCKCSA-N 2 1 365.522 0.806 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000433280961 489875181 /nfs/dbraw/zinc/87/51/81/489875181.db2.gz GTURSZCCKGPFMC-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000433280961 489875183 /nfs/dbraw/zinc/87/51/83/489875183.db2.gz GTURSZCCKGPFMC-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000433280961 489875187 /nfs/dbraw/zinc/87/51/87/489875187.db2.gz GTURSZCCKGPFMC-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268767 489877632 /nfs/dbraw/zinc/87/76/32/489877632.db2.gz UYCMYGHVKSXBFI-UHFFFAOYSA-N 3 1 353.511 0.570 20 0 FCADMP CNC(=O)NC(=O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268767 489877635 /nfs/dbraw/zinc/87/76/35/489877635.db2.gz UYCMYGHVKSXBFI-UHFFFAOYSA-N 3 1 353.511 0.570 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380975 489879833 /nfs/dbraw/zinc/87/98/33/489879833.db2.gz GSPOMYAWYJLUJP-KRWDZBQOSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380975 489879837 /nfs/dbraw/zinc/87/98/37/489879837.db2.gz GSPOMYAWYJLUJP-KRWDZBQOSA-N 2 1 354.458 0.991 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433451478 489885311 /nfs/dbraw/zinc/88/53/11/489885311.db2.gz CAQLYIFDMBDPRY-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433451478 489885315 /nfs/dbraw/zinc/88/53/15/489885315.db2.gz CAQLYIFDMBDPRY-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433451478 489885320 /nfs/dbraw/zinc/88/53/20/489885320.db2.gz CAQLYIFDMBDPRY-IRXDYDNUSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030662 489886799 /nfs/dbraw/zinc/88/67/99/489886799.db2.gz GPWDWFKXPXHSTG-KBXIAJHMSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461227 489886861 /nfs/dbraw/zinc/88/68/61/489886861.db2.gz DHPKXOKOAWMERS-HOTGVXAUSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461227 489886866 /nfs/dbraw/zinc/88/68/66/489886866.db2.gz DHPKXOKOAWMERS-HOTGVXAUSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461227 489886869 /nfs/dbraw/zinc/88/68/69/489886869.db2.gz DHPKXOKOAWMERS-HOTGVXAUSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000433458758 489886886 /nfs/dbraw/zinc/88/68/86/489886886.db2.gz UXJMUPXBTGZDNW-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458758 489886890 /nfs/dbraw/zinc/88/68/90/489886890.db2.gz UXJMUPXBTGZDNW-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000433458758 489886894 /nfs/dbraw/zinc/88/68/94/489886894.db2.gz UXJMUPXBTGZDNW-IAGOWNOFSA-N 2 1 370.538 0.974 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000433608763 489892802 /nfs/dbraw/zinc/89/28/02/489892802.db2.gz LPTUGCWJQCPXEI-WBVHZDCISA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433608763 489892806 /nfs/dbraw/zinc/89/28/06/489892806.db2.gz LPTUGCWJQCPXEI-WBVHZDCISA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433608763 489892810 /nfs/dbraw/zinc/89/28/10/489892810.db2.gz LPTUGCWJQCPXEI-WBVHZDCISA-N 2 1 365.522 0.890 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420057886 489896457 /nfs/dbraw/zinc/89/64/57/489896457.db2.gz HYRZIDVRWUYAAZ-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420058059 489896486 /nfs/dbraw/zinc/89/64/86/489896486.db2.gz DTAALFWTYJXWIW-INIZCTEOSA-N 2 1 368.522 0.437 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965682 491286332 /nfs/dbraw/zinc/28/63/32/491286332.db2.gz VITKTQTVSHUOJG-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000555965682 491286334 /nfs/dbraw/zinc/28/63/34/491286334.db2.gz VITKTQTVSHUOJG-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000555965682 491286335 /nfs/dbraw/zinc/28/63/35/491286335.db2.gz VITKTQTVSHUOJG-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000420097457 489911200 /nfs/dbraw/zinc/91/12/00/489911200.db2.gz CEYCBDGUTVNWIS-NRFANRHFSA-N 2 1 372.513 0.879 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576195 489924175 /nfs/dbraw/zinc/92/41/75/489924175.db2.gz AIMIIUIIRBVILA-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000495037178 489924899 /nfs/dbraw/zinc/92/48/99/489924899.db2.gz QHNRAGFZJBXFQY-HNNXBMFYSA-N 2 1 356.536 0.930 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000495037178 489924901 /nfs/dbraw/zinc/92/49/01/489924901.db2.gz QHNRAGFZJBXFQY-HNNXBMFYSA-N 2 1 356.536 0.930 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420143463 489928715 /nfs/dbraw/zinc/92/87/15/489928715.db2.gz XQBNQKKLPJEZDG-UHFFFAOYSA-N 2 1 356.470 0.409 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420157833 489934972 /nfs/dbraw/zinc/93/49/72/489934972.db2.gz XQSDJSDPDZXYIK-CQSZACIVSA-N 2 1 368.428 0.820 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420157833 489934975 /nfs/dbraw/zinc/93/49/75/489934975.db2.gz XQSDJSDPDZXYIK-CQSZACIVSA-N 2 1 368.428 0.820 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC[C@@H]21 ZINC000420157835 489935004 /nfs/dbraw/zinc/93/50/04/489935004.db2.gz GUWDRVJBZYMXTN-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420165570 489937514 /nfs/dbraw/zinc/93/75/14/489937514.db2.gz NQFDHBAAYMMDHH-WMZOPIPTSA-N 2 1 360.502 0.888 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000477067974 489938939 /nfs/dbraw/zinc/93/89/39/489938939.db2.gz PJGHVZCBRUCCQJ-HOTGVXAUSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477104194 489943097 /nfs/dbraw/zinc/94/30/97/489943097.db2.gz YSTCKDUKMGGBPJ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000462010582 489950466 /nfs/dbraw/zinc/95/04/66/489950466.db2.gz NZYGWMMYMNFMOJ-JKSUJKDBSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000462010582 489950469 /nfs/dbraw/zinc/95/04/69/489950469.db2.gz NZYGWMMYMNFMOJ-JKSUJKDBSA-N 2 1 353.511 0.663 20 0 FCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000462010582 489950472 /nfs/dbraw/zinc/95/04/72/489950472.db2.gz NZYGWMMYMNFMOJ-JKSUJKDBSA-N 2 1 353.511 0.663 20 0 FCADMP C[C@H](CN1CCOCC1)[NH+](C)C[C@H](C)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713775 489950935 /nfs/dbraw/zinc/95/09/35/489950935.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 2 1 370.582 0.928 20 0 FCADMP C[C@H](C[NH+](C)[C@@H](C)CN1CCOCC1)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713775 489950939 /nfs/dbraw/zinc/95/09/39/489950939.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 2 1 370.582 0.928 20 0 FCADMP C[C@H](C[NH+](C)[C@@H](C)CN1CCOCC1)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713775 489950942 /nfs/dbraw/zinc/95/09/42/489950942.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 2 1 370.582 0.928 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284203 489960096 /nfs/dbraw/zinc/96/00/96/489960096.db2.gz CMIWDDLHAYIXRP-VXGBXAGGSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284203 489960098 /nfs/dbraw/zinc/96/00/98/489960098.db2.gz CMIWDDLHAYIXRP-VXGBXAGGSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420297666 489960946 /nfs/dbraw/zinc/96/09/46/489960946.db2.gz RIZJEJKSBJNROO-YJBOKZPZSA-N 2 1 358.486 0.747 20 0 FCADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCN1CCCCCC1=O ZINC000420332422 489963536 /nfs/dbraw/zinc/96/35/36/489963536.db2.gz JMOKXLQXVPJQBB-CALCHBBNSA-N 2 1 350.507 0.827 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)CC3)CC2)c1 ZINC000556065948 491291614 /nfs/dbraw/zinc/29/16/14/491291614.db2.gz PHFWXOOVPBQKII-UHFFFAOYSA-N 2 1 373.501 0.887 20 0 FCADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420338726 489964664 /nfs/dbraw/zinc/96/46/64/489964664.db2.gz NSWUXBUMMVBWGI-IYBDPMFKSA-N 2 1 360.458 0.495 20 0 FCADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346700 489965579 /nfs/dbraw/zinc/96/55/79/489965579.db2.gz DIQMFMUJUHXWRN-LJQANCHMSA-N 2 1 360.502 0.819 20 0 FCADMP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346700 489965582 /nfs/dbraw/zinc/96/55/82/489965582.db2.gz DIQMFMUJUHXWRN-LJQANCHMSA-N 2 1 360.502 0.819 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571204123 491292477 /nfs/dbraw/zinc/29/24/77/491292477.db2.gz QFGQEKSRYHDZDJ-QGZVFWFLSA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571204122 491292535 /nfs/dbraw/zinc/29/25/35/491292535.db2.gz QFGQEKSRYHDZDJ-KRWDZBQOSA-N 2 1 359.474 0.593 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000477616223 489977794 /nfs/dbraw/zinc/97/77/94/489977794.db2.gz QYYIZZBJKMZSBL-KRWDZBQOSA-N 3 1 356.559 0.147 20 0 FCADMP CN1CCN(C)[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000477616223 489977798 /nfs/dbraw/zinc/97/77/98/489977798.db2.gz QYYIZZBJKMZSBL-KRWDZBQOSA-N 2 1 356.559 0.147 20 0 FCADMP CSC1(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC[NH+](C)CC1 ZINC000462505852 489979471 /nfs/dbraw/zinc/97/94/71/489979471.db2.gz CWCGKIFYKBEJRH-CABCVRRESA-N 2 1 358.552 0.910 20 0 FCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000477726545 489987829 /nfs/dbraw/zinc/98/78/29/489987829.db2.gz YBXOODNLCGVHNC-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378001945 489994419 /nfs/dbraw/zinc/99/44/19/489994419.db2.gz KVJWVJPLBPZWCC-OAHLLOKOSA-N 3 1 367.538 0.959 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000435390748 490000135 /nfs/dbraw/zinc/00/01/35/490000135.db2.gz BVFKUYBWVNWGKN-UHFFFAOYSA-N 2 1 363.458 0.719 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000435390748 490000139 /nfs/dbraw/zinc/00/01/39/490000139.db2.gz BVFKUYBWVNWGKN-UHFFFAOYSA-N 2 1 363.458 0.719 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCC(=O)N1CCOCC1 ZINC000435391149 490000556 /nfs/dbraw/zinc/00/05/56/490000556.db2.gz DERSFUYQAXVERE-INIZCTEOSA-N 2 1 363.458 0.713 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCC(=O)N1CCOCC1 ZINC000435391149 490000560 /nfs/dbraw/zinc/00/05/60/490000560.db2.gz DERSFUYQAXVERE-INIZCTEOSA-N 2 1 363.458 0.713 20 0 FCADMP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000478067477 490003737 /nfs/dbraw/zinc/00/37/37/490003737.db2.gz ZIZPWHZGXPCQBA-RBUKOAKNSA-N 2 1 358.486 0.394 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000556085949 491293980 /nfs/dbraw/zinc/29/39/80/491293980.db2.gz YSWAXLJQDRGXJJ-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085949 491293982 /nfs/dbraw/zinc/29/39/82/491293982.db2.gz YSWAXLJQDRGXJJ-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085949 491293984 /nfs/dbraw/zinc/29/39/84/491293984.db2.gz YSWAXLJQDRGXJJ-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000378138795 490016654 /nfs/dbraw/zinc/01/66/54/490016654.db2.gz VOGVVEKUAAOVCT-KRWDZBQOSA-N 2 1 350.463 0.749 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000378138795 490016659 /nfs/dbraw/zinc/01/66/59/490016659.db2.gz VOGVVEKUAAOVCT-KRWDZBQOSA-N 2 1 350.463 0.749 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000420840091 490025021 /nfs/dbraw/zinc/02/50/21/490025021.db2.gz NXQWBMNEWPSOOK-QZTJIDSGSA-N 2 1 360.502 0.828 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000420904862 490030834 /nfs/dbraw/zinc/03/08/34/490030834.db2.gz PXPYTFKDDSAMEI-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000420904862 490030838 /nfs/dbraw/zinc/03/08/38/490030838.db2.gz PXPYTFKDDSAMEI-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000420904862 490030842 /nfs/dbraw/zinc/03/08/42/490030842.db2.gz PXPYTFKDDSAMEI-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438705142 490036872 /nfs/dbraw/zinc/03/68/72/490036872.db2.gz FTLNNCVPPNJIGP-HNNXBMFYSA-N 2 1 352.483 0.923 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000556113779 491295833 /nfs/dbraw/zinc/29/58/33/491295833.db2.gz VQMXDCPWHVSEFU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000556113779 491295835 /nfs/dbraw/zinc/29/58/35/491295835.db2.gz VQMXDCPWHVSEFU-HOTGVXAUSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000564253669 491296478 /nfs/dbraw/zinc/29/64/78/491296478.db2.gz VLOQWIMYZDNBLT-MRXNPFEDSA-N 2 1 360.502 0.960 20 0 FCADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378422686 490061588 /nfs/dbraw/zinc/06/15/88/490061588.db2.gz AGHSHQKLDMMQCQ-GOSISDBHSA-N 2 1 364.486 0.894 20 0 FCADMP CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCCC1 ZINC000479064470 490064737 /nfs/dbraw/zinc/06/47/37/490064737.db2.gz RMVMWWHAOPQKJM-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)NC1C[NH2+]C1 ZINC000571268869 491296783 /nfs/dbraw/zinc/29/67/83/491296783.db2.gz QWIPWJCYYHHBFL-INIZCTEOSA-N 2 1 364.877 0.899 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)NC1C[NH2+]C1 ZINC000571268869 491296784 /nfs/dbraw/zinc/29/67/84/491296784.db2.gz QWIPWJCYYHHBFL-INIZCTEOSA-N 2 1 364.877 0.899 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000571270795 491296946 /nfs/dbraw/zinc/29/69/46/491296946.db2.gz ZFDHDGUJRFRSAH-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000571270795 491296948 /nfs/dbraw/zinc/29/69/48/491296948.db2.gz ZFDHDGUJRFRSAH-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000491057759 490075244 /nfs/dbraw/zinc/07/52/44/490075244.db2.gz WVCAEFDZRGSVMB-UHFFFAOYSA-N 2 1 355.527 0.914 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524544 490077811 /nfs/dbraw/zinc/07/78/11/490077811.db2.gz BMCCOYGNTNIJMT-FGTMMUONSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524544 490077816 /nfs/dbraw/zinc/07/78/16/490077816.db2.gz BMCCOYGNTNIJMT-FGTMMUONSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000378524544 490077825 /nfs/dbraw/zinc/07/78/25/490077825.db2.gz BMCCOYGNTNIJMT-FGTMMUONSA-N 2 1 365.522 0.129 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524545 490078518 /nfs/dbraw/zinc/07/85/18/490078518.db2.gz BMCCOYGNTNIJMT-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524545 490078524 /nfs/dbraw/zinc/07/85/24/490078524.db2.gz BMCCOYGNTNIJMT-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)[C@H]2C1 ZINC000378524545 490078530 /nfs/dbraw/zinc/07/85/30/490078530.db2.gz BMCCOYGNTNIJMT-KURKYZTESA-N 2 1 365.522 0.129 20 0 FCADMP CCOC(=O)[C@@](C)(O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000519782628 490082206 /nfs/dbraw/zinc/08/22/06/490082206.db2.gz UWRMJBXQLQLNKN-IBGZPJMESA-N 2 1 369.506 0.613 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000519810146 490086960 /nfs/dbraw/zinc/08/69/60/490086960.db2.gz LWUGMVOSNMMEDD-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000571310021 491299860 /nfs/dbraw/zinc/29/98/60/491299860.db2.gz POJLGHJIWVMGDU-GJZGRUSLSA-N 2 1 362.526 0.396 20 0 FCADMP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000520225976 490118626 /nfs/dbraw/zinc/11/86/26/490118626.db2.gz WDYOIGLAXJACCA-IBGZPJMESA-N 2 1 358.442 0.693 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000571326599 491300943 /nfs/dbraw/zinc/30/09/43/491300943.db2.gz IKKZJAMYAZYGMM-ROUUACIJSA-N 2 1 358.486 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@H+]1C ZINC000571326599 491300946 /nfs/dbraw/zinc/30/09/46/491300946.db2.gz IKKZJAMYAZYGMM-ROUUACIJSA-N 2 1 358.486 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1=O ZINC000422012805 490125725 /nfs/dbraw/zinc/12/57/25/490125725.db2.gz CJCMUQZBIPCLSQ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000422012805 490125733 /nfs/dbraw/zinc/12/57/33/490125733.db2.gz CJCMUQZBIPCLSQ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1=O ZINC000422012805 490125740 /nfs/dbraw/zinc/12/57/40/490125740.db2.gz CJCMUQZBIPCLSQ-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341687 491301583 /nfs/dbraw/zinc/30/15/83/491301583.db2.gz PSEWXEQTZZDNKE-PKOBYXMFSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341687 491301587 /nfs/dbraw/zinc/30/15/87/491301587.db2.gz PSEWXEQTZZDNKE-PKOBYXMFSA-N 2 1 350.459 0.742 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341687 491301588 /nfs/dbraw/zinc/30/15/88/491301588.db2.gz PSEWXEQTZZDNKE-PKOBYXMFSA-N 2 1 350.459 0.742 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465868922 490148421 /nfs/dbraw/zinc/14/84/21/490148421.db2.gz GTLLAQUBNCETAT-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950510 490156320 /nfs/dbraw/zinc/15/63/20/490156320.db2.gz OVHHTSFXZKVBGV-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465964751 490158581 /nfs/dbraw/zinc/15/85/81/490158581.db2.gz ZTUURYFJOIAMDU-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465956938 490158893 /nfs/dbraw/zinc/15/88/93/490158893.db2.gz RCVWVFODBFIMNF-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465956938 490158900 /nfs/dbraw/zinc/15/89/00/490158900.db2.gz RCVWVFODBFIMNF-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465956938 490158904 /nfs/dbraw/zinc/15/89/04/490158904.db2.gz RCVWVFODBFIMNF-IXDOHACOSA-N 2 1 367.538 0.993 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608407 490169944 /nfs/dbraw/zinc/16/99/44/490169944.db2.gz XZZAEKKVRASREZ-PMACEKPBSA-N 2 1 359.470 0.196 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248454 491305948 /nfs/dbraw/zinc/30/59/48/491305948.db2.gz ZZHWFBQXTRLERC-IRXDYDNUSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556248454 491305950 /nfs/dbraw/zinc/30/59/50/491305950.db2.gz ZZHWFBQXTRLERC-IRXDYDNUSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556248454 491305953 /nfs/dbraw/zinc/30/59/53/491305953.db2.gz ZZHWFBQXTRLERC-IRXDYDNUSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000480462857 490194223 /nfs/dbraw/zinc/19/42/23/490194223.db2.gz AREGAAGXVKGSHT-CQSZACIVSA-N 2 1 355.508 0.577 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000480462857 490194231 /nfs/dbraw/zinc/19/42/31/490194231.db2.gz AREGAAGXVKGSHT-CQSZACIVSA-N 2 1 355.508 0.577 20 0 FCADMP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794648 490212678 /nfs/dbraw/zinc/21/26/78/490212678.db2.gz XIHQXZTWXMUNIN-JKIFEVAISA-N 2 1 363.506 0.463 20 0 FCADMP CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556297295 491308145 /nfs/dbraw/zinc/30/81/45/491308145.db2.gz AEJWXZVAOGLSPB-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000556297295 491308146 /nfs/dbraw/zinc/30/81/46/491308146.db2.gz AEJWXZVAOGLSPB-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)c1 ZINC000564460394 491308225 /nfs/dbraw/zinc/30/82/25/491308225.db2.gz CYNSZWWVYWMDNA-UHFFFAOYSA-N 2 1 359.474 0.626 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603728 490216269 /nfs/dbraw/zinc/21/62/69/490216269.db2.gz APVUMJYAYKPYEQ-PKOBYXMFSA-N 2 1 354.539 0.877 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000507411213 490217354 /nfs/dbraw/zinc/21/73/54/490217354.db2.gz WSXJICZYNKACAW-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422273874 490220671 /nfs/dbraw/zinc/22/06/71/490220671.db2.gz WYJFMSIRNDFYCL-HNNXBMFYSA-N 2 1 364.515 0.991 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000422278501 490223439 /nfs/dbraw/zinc/22/34/39/490223439.db2.gz AFRQPIAREIFGGU-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000422278501 490223446 /nfs/dbraw/zinc/22/34/46/490223446.db2.gz AFRQPIAREIFGGU-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000521175801 490232317 /nfs/dbraw/zinc/23/23/17/490232317.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 1 359.518 0.980 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000521175801 490232318 /nfs/dbraw/zinc/23/23/18/490232318.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 1 359.518 0.980 20 0 FCADMP CN1CCN(C)[C@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000521175801 490232321 /nfs/dbraw/zinc/23/23/21/490232321.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 1 359.518 0.980 20 0 FCADMP CN1CCN(C)[C@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000521175801 490232324 /nfs/dbraw/zinc/23/23/24/490232324.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 1 359.518 0.980 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000497928963 490234166 /nfs/dbraw/zinc/23/41/66/490234166.db2.gz ZAYITMOPVYLZNO-HKUYNNGSSA-N 2 1 352.523 0.630 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H](C[NH3+])OC)cc2)CC1 ZINC000447434445 490235435 /nfs/dbraw/zinc/23/54/35/490235435.db2.gz GSQVBKBZXCEDPM-QGZVFWFLSA-N 2 1 362.474 0.696 20 0 FCADMP CC[C@@H]1CN(CC)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521201651 490235659 /nfs/dbraw/zinc/23/56/59/490235659.db2.gz NQGCWUWDMRCZMF-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000571505322 491312104 /nfs/dbraw/zinc/31/21/04/491312104.db2.gz LRSMAWBRPNXWSB-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1CN(C(=O)CC(O)CC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000408167160 490264221 /nfs/dbraw/zinc/26/42/21/490264221.db2.gz CGMPTDRBPMTFJO-GEEKYZPCSA-N 2 1 368.522 0.230 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCCC1 ZINC000556372811 491312785 /nfs/dbraw/zinc/31/27/85/491312785.db2.gz YRIAYAQYLNYOEC-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000521648963 490286705 /nfs/dbraw/zinc/28/67/05/490286705.db2.gz XBLHIIHZEJOAKC-HNNXBMFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820029 490288422 /nfs/dbraw/zinc/28/84/22/490288422.db2.gz RDXWHRHLNGZHBG-IAGOWNOFSA-N 2 1 359.474 0.812 20 0 FCADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820029 490288427 /nfs/dbraw/zinc/28/84/27/490288427.db2.gz RDXWHRHLNGZHBG-IAGOWNOFSA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820029 490288434 /nfs/dbraw/zinc/28/84/34/490288434.db2.gz RDXWHRHLNGZHBG-IAGOWNOFSA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000533820029 490288440 /nfs/dbraw/zinc/28/84/40/490288440.db2.gz RDXWHRHLNGZHBG-IAGOWNOFSA-N 2 1 359.474 0.812 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000521868896 490303799 /nfs/dbraw/zinc/30/37/99/490303799.db2.gz YCNWUILMMPJFCP-UHFFFAOYSA-N 2 1 360.502 0.819 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000422437168 490319427 /nfs/dbraw/zinc/31/94/27/490319427.db2.gz YZGDLFZDVFRUCJ-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000422437168 490319434 /nfs/dbraw/zinc/31/94/34/490319434.db2.gz YZGDLFZDVFRUCJ-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000422437168 490319440 /nfs/dbraw/zinc/31/94/40/490319440.db2.gz YZGDLFZDVFRUCJ-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CC1 ZINC000422456936 490330639 /nfs/dbraw/zinc/33/06/39/490330639.db2.gz RVVOGWBEKXXMEE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000422456936 490330644 /nfs/dbraw/zinc/33/06/44/490330644.db2.gz RVVOGWBEKXXMEE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000422456936 490330653 /nfs/dbraw/zinc/33/06/53/490330653.db2.gz RVVOGWBEKXXMEE-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000571600905 491318358 /nfs/dbraw/zinc/31/83/58/491318358.db2.gz MHBMWLSHIDCBEF-QGZVFWFLSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000571600905 491318360 /nfs/dbraw/zinc/31/83/60/491318360.db2.gz MHBMWLSHIDCBEF-QGZVFWFLSA-N 2 1 365.522 0.855 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138262 490345342 /nfs/dbraw/zinc/34/53/42/490345342.db2.gz VRDWFWQBUWXCKP-MSOLQXFVSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138262 490345345 /nfs/dbraw/zinc/34/53/45/490345345.db2.gz VRDWFWQBUWXCKP-MSOLQXFVSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000522138262 490345350 /nfs/dbraw/zinc/34/53/50/490345350.db2.gz VRDWFWQBUWXCKP-MSOLQXFVSA-N 2 1 358.486 0.952 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000483803365 490345821 /nfs/dbraw/zinc/34/58/21/490345821.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 1 351.470 0.803 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483803365 490345826 /nfs/dbraw/zinc/34/58/26/490345826.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 1 351.470 0.803 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483803365 490345836 /nfs/dbraw/zinc/34/58/36/490345836.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 1 351.470 0.803 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000448436510 490350542 /nfs/dbraw/zinc/35/05/42/490350542.db2.gz NLNNTGNYNIKZIR-IRXDYDNUSA-N 2 1 352.523 0.881 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)cnn1C ZINC000508777488 490359503 /nfs/dbraw/zinc/35/95/03/490359503.db2.gz FKDLZZYGZYZYBL-OAHLLOKOSA-N 2 1 357.524 0.765 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000522265985 490361170 /nfs/dbraw/zinc/36/11/70/490361170.db2.gz MWGAZRDQEGDPLJ-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000498947331 490369583 /nfs/dbraw/zinc/36/95/83/490369583.db2.gz HHDZFQDZVRNZDN-IRXDYDNUSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000498947331 490369593 /nfs/dbraw/zinc/36/95/93/490369593.db2.gz HHDZFQDZVRNZDN-IRXDYDNUSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000498947331 490369598 /nfs/dbraw/zinc/36/95/98/490369598.db2.gz HHDZFQDZVRNZDN-IRXDYDNUSA-N 2 1 350.507 0.991 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000498945699 490369842 /nfs/dbraw/zinc/36/98/42/490369842.db2.gz YNCIDENSKDOFMR-IRXDYDNUSA-N 2 1 366.506 0.370 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000498961906 490374378 /nfs/dbraw/zinc/37/43/78/490374378.db2.gz IWWHIQNGQLRTOS-KRWDZBQOSA-N 2 1 366.506 0.324 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410992959 490376687 /nfs/dbraw/zinc/37/66/87/490376687.db2.gz XXKNIQSDSWWQGD-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CCCC1 ZINC000564717805 491322160 /nfs/dbraw/zinc/32/21/60/491322160.db2.gz ABWQTYGBLHLYQE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C1CCCC1 ZINC000564717805 491322161 /nfs/dbraw/zinc/32/21/61/491322161.db2.gz ABWQTYGBLHLYQE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C1CCCC1 ZINC000564717805 491322163 /nfs/dbraw/zinc/32/21/63/491322163.db2.gz ABWQTYGBLHLYQE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000534590360 490387168 /nfs/dbraw/zinc/38/71/68/490387168.db2.gz DYFBIGAOKJXBHS-GJZGRUSLSA-N 2 1 356.536 0.483 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000534590360 490387174 /nfs/dbraw/zinc/38/71/74/490387174.db2.gz DYFBIGAOKJXBHS-GJZGRUSLSA-N 2 1 356.536 0.483 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000534590360 490387177 /nfs/dbraw/zinc/38/71/77/490387177.db2.gz DYFBIGAOKJXBHS-GJZGRUSLSA-N 2 1 356.536 0.483 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000522974898 490423629 /nfs/dbraw/zinc/42/36/29/490423629.db2.gz FWQWTIGAPAEFFH-CVEARBPZSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000522974898 490423635 /nfs/dbraw/zinc/42/36/35/490423635.db2.gz FWQWTIGAPAEFFH-CVEARBPZSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000522974898 490423641 /nfs/dbraw/zinc/42/36/41/490423641.db2.gz FWQWTIGAPAEFFH-CVEARBPZSA-N 2 1 365.522 0.890 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422638683 490437904 /nfs/dbraw/zinc/43/79/04/490437904.db2.gz QXEDYZSSDLJVTG-HZSPNIEDSA-N 2 1 362.478 0.129 20 0 FCADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571770294 491327756 /nfs/dbraw/zinc/32/77/56/491327756.db2.gz TUBNJKYTHCVQFZ-MSOLQXFVSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000571770294 491327757 /nfs/dbraw/zinc/32/77/57/491327757.db2.gz TUBNJKYTHCVQFZ-MSOLQXFVSA-N 2 1 370.497 0.978 20 0 FCADMP CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000523453785 490466685 /nfs/dbraw/zinc/46/66/85/490466685.db2.gz FCLSFEOYDHWCGT-HNNXBMFYSA-N 2 1 353.511 0.890 20 0 FCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000535337529 490480658 /nfs/dbraw/zinc/48/06/58/490480658.db2.gz XKGQFPXKSREPIS-OAHLLOKOSA-N 2 1 356.536 0.340 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984746 490486426 /nfs/dbraw/zinc/48/64/26/490486426.db2.gz CWWYQEJBMJRQNO-CRAIPNDOSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984746 490486432 /nfs/dbraw/zinc/48/64/32/490486432.db2.gz CWWYQEJBMJRQNO-CRAIPNDOSA-N 2 1 374.485 0.444 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)N2CCN(CC)CC2)CC[NH2+]CC1 ZINC000422857115 490487035 /nfs/dbraw/zinc/48/70/35/490487035.db2.gz GYALCSLUASNJKM-DLBZAZTESA-N 2 1 354.539 0.923 20 0 FCADMP CN(C)C(=O)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000523853440 490499938 /nfs/dbraw/zinc/49/99/38/490499938.db2.gz NFIMSFDKQHTAEQ-IBGZPJMESA-N 2 1 362.518 0.796 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500433171 490514963 /nfs/dbraw/zinc/51/49/63/490514963.db2.gz SGZINYWJKXNVHH-OAHLLOKOSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500433167 490515368 /nfs/dbraw/zinc/51/53/68/490515368.db2.gz SGZINYWJKXNVHH-HNNXBMFYSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000535720682 490517638 /nfs/dbraw/zinc/51/76/38/490517638.db2.gz GFOHRJYHWQJYGR-QGZVFWFLSA-N 2 1 359.474 0.905 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C1 ZINC000510473657 490520492 /nfs/dbraw/zinc/52/04/92/490520492.db2.gz RCQYMZXRMWIKFL-PKOBYXMFSA-N 2 1 352.523 0.772 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)CC2)c1 ZINC000571859492 491333341 /nfs/dbraw/zinc/33/33/41/491333341.db2.gz KTKDJISBHYKXGX-CVEARBPZSA-N 2 1 357.458 0.201 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)c1 ZINC000571859492 491333344 /nfs/dbraw/zinc/33/33/44/491333344.db2.gz KTKDJISBHYKXGX-CVEARBPZSA-N 2 1 357.458 0.201 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391190 490528377 /nfs/dbraw/zinc/52/83/77/490528377.db2.gz PSUCPKJRTFSKRT-JKSUJKDBSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391190 490528383 /nfs/dbraw/zinc/52/83/83/490528383.db2.gz PSUCPKJRTFSKRT-JKSUJKDBSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391190 490528387 /nfs/dbraw/zinc/52/83/87/490528387.db2.gz PSUCPKJRTFSKRT-JKSUJKDBSA-N 2 1 353.511 0.557 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423052208 490530608 /nfs/dbraw/zinc/53/06/08/490530608.db2.gz QDHNKRPITPWJFZ-QGZVFWFLSA-N 2 1 374.485 0.537 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423052208 490530613 /nfs/dbraw/zinc/53/06/13/490530613.db2.gz QDHNKRPITPWJFZ-QGZVFWFLSA-N 2 1 374.485 0.537 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423074529 490536718 /nfs/dbraw/zinc/53/67/18/490536718.db2.gz UXWSMTYKZSGLME-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000524465281 490539908 /nfs/dbraw/zinc/53/99/08/490539908.db2.gz QBQQGQKXUSWIKJ-HNNXBMFYSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485536255 490540247 /nfs/dbraw/zinc/54/02/47/490540247.db2.gz HYQOVJFPUJCZEU-WMZOPIPTSA-N 2 1 373.501 0.743 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485536255 490540249 /nfs/dbraw/zinc/54/02/49/490540249.db2.gz HYQOVJFPUJCZEU-WMZOPIPTSA-N 2 1 373.501 0.743 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485536255 490540251 /nfs/dbraw/zinc/54/02/51/490540251.db2.gz HYQOVJFPUJCZEU-WMZOPIPTSA-N 2 1 373.501 0.743 20 0 FCADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485619877 490549361 /nfs/dbraw/zinc/54/93/61/490549361.db2.gz MAQYSLWGWMANBP-IAGOWNOFSA-N 2 1 369.579 0.703 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000486114325 490591247 /nfs/dbraw/zinc/59/12/47/490591247.db2.gz ALNKOPMDQBNQSA-XJKSGUPXSA-N 2 1 359.474 0.597 20 0 FCADMP CCC[C@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000501607182 490622942 /nfs/dbraw/zinc/62/29/42/490622942.db2.gz ZQWMGVYQPMJKIJ-SFHVURJKSA-N 2 1 354.539 0.973 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501617882 490623616 /nfs/dbraw/zinc/62/36/16/490623616.db2.gz ZIMVVPPZQILSNI-MRXNPFEDSA-N 2 1 368.547 0.532 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501617882 490623622 /nfs/dbraw/zinc/62/36/22/490623622.db2.gz ZIMVVPPZQILSNI-MRXNPFEDSA-N 2 1 368.547 0.532 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619630 490623868 /nfs/dbraw/zinc/62/38/68/490623868.db2.gz CQXMJFJLEKSDGB-KYJSFNMBSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619630 490623873 /nfs/dbraw/zinc/62/38/73/490623873.db2.gz CQXMJFJLEKSDGB-KYJSFNMBSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619630 490623878 /nfs/dbraw/zinc/62/38/78/490623878.db2.gz CQXMJFJLEKSDGB-KYJSFNMBSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486442069 490626557 /nfs/dbraw/zinc/62/65/57/490626557.db2.gz NNXDCUBADISKSU-YVSFHVDLSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486442069 490626559 /nfs/dbraw/zinc/62/65/59/490626559.db2.gz NNXDCUBADISKSU-YVSFHVDLSA-N 2 1 350.507 0.443 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486442069 490626562 /nfs/dbraw/zinc/62/65/62/490626562.db2.gz NNXDCUBADISKSU-YVSFHVDLSA-N 2 1 350.507 0.443 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556851715 491341395 /nfs/dbraw/zinc/34/13/95/491341395.db2.gz MUTAEBKBZOAWLB-QUCCMNQESA-N 2 1 359.470 0.460 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556851715 491341397 /nfs/dbraw/zinc/34/13/97/491341397.db2.gz MUTAEBKBZOAWLB-QUCCMNQESA-N 2 1 359.470 0.460 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NCc2ncc(C[NH+](C)C)s2)cn1 ZINC000511911474 490637498 /nfs/dbraw/zinc/63/74/98/490637498.db2.gz ZKWZUXWEVVCNPU-UHFFFAOYSA-N 2 1 365.507 0.691 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000537159583 490654303 /nfs/dbraw/zinc/65/43/03/490654303.db2.gz ZWKWZUUUWNSHDD-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512216026 490664884 /nfs/dbraw/zinc/66/48/84/490664884.db2.gz ABDZBQBHXLNQJT-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512216026 490664892 /nfs/dbraw/zinc/66/48/92/490664892.db2.gz ABDZBQBHXLNQJT-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512216026 490664900 /nfs/dbraw/zinc/66/49/00/490664900.db2.gz ABDZBQBHXLNQJT-GOSISDBHSA-N 2 1 369.554 0.550 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2ccccc2)CC12CCOCC2 ZINC000564988483 491344116 /nfs/dbraw/zinc/34/41/16/491344116.db2.gz JSIPCABRCFCGFT-MRXNPFEDSA-N 2 1 360.458 0.700 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccccc2)CC12CCOCC2 ZINC000564988483 491344118 /nfs/dbraw/zinc/34/41/18/491344118.db2.gz JSIPCABRCFCGFT-MRXNPFEDSA-N 2 1 360.458 0.700 20 0 FCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000564989126 491344567 /nfs/dbraw/zinc/34/45/67/491344567.db2.gz RCJKPJWMIVVHQE-CQSZACIVSA-N 2 1 369.487 0.400 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486817837 490673680 /nfs/dbraw/zinc/67/36/80/490673680.db2.gz ICOADIYTCKXIEZ-XSTFNKQASA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486817837 490673683 /nfs/dbraw/zinc/67/36/83/490673683.db2.gz ICOADIYTCKXIEZ-XSTFNKQASA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486817837 490673685 /nfs/dbraw/zinc/67/36/85/490673685.db2.gz ICOADIYTCKXIEZ-XSTFNKQASA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000564993780 491344948 /nfs/dbraw/zinc/34/49/48/491344948.db2.gz UTVCTSLDWNYDTR-RDJZCZTQSA-N 2 1 366.506 0.062 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000512665683 490692083 /nfs/dbraw/zinc/69/20/83/490692083.db2.gz HBMNETSBUUCCBT-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP CN(C)c1nc(N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc[nH+]1 ZINC000565047739 491348097 /nfs/dbraw/zinc/34/80/97/491348097.db2.gz PGORZTBIMHUXOJ-ROUUACIJSA-N 2 1 370.501 0.596 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044921 490706227 /nfs/dbraw/zinc/70/62/27/490706227.db2.gz LNSDWSYXWUTVCA-MGPQQGTHSA-N 2 1 356.467 0.160 20 0 FCADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557001288 491348651 /nfs/dbraw/zinc/34/86/51/491348651.db2.gz QALDCEFKFBLKKU-AWEZNQCLSA-N 2 1 364.515 0.991 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513207129 490714876 /nfs/dbraw/zinc/71/48/76/490714876.db2.gz UKSGSVBVABWVKS-JKSUJKDBSA-N 2 1 359.536 0.780 20 0 FCADMP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513207129 490714879 /nfs/dbraw/zinc/71/48/79/490714879.db2.gz UKSGSVBVABWVKS-JKSUJKDBSA-N 2 1 359.536 0.780 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011945 491349228 /nfs/dbraw/zinc/34/92/28/491349228.db2.gz QFXWCBVFSQVGBI-DOTOQJQBSA-N 2 1 362.449 0.898 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000487553959 490718321 /nfs/dbraw/zinc/71/83/21/490718321.db2.gz QLSZNTGPTJKRMR-YALNPMBYSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000487553959 490718322 /nfs/dbraw/zinc/71/83/22/490718322.db2.gz QLSZNTGPTJKRMR-YALNPMBYSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000487553959 490718325 /nfs/dbraw/zinc/71/83/25/490718325.db2.gz QLSZNTGPTJKRMR-YALNPMBYSA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000502795965 490721705 /nfs/dbraw/zinc/72/17/05/490721705.db2.gz NAOMEEQSVVCDQL-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000502795965 490721707 /nfs/dbraw/zinc/72/17/07/490721707.db2.gz NAOMEEQSVVCDQL-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000502795967 490721819 /nfs/dbraw/zinc/72/18/19/490721819.db2.gz NAOMEEQSVVCDQL-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000502795967 490721821 /nfs/dbraw/zinc/72/18/21/490721821.db2.gz NAOMEEQSVVCDQL-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CC[NH+](CC)CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000513373158 490726427 /nfs/dbraw/zinc/72/64/27/490726427.db2.gz QMEMSUCCUHYVIB-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000514594137 490772445 /nfs/dbraw/zinc/77/24/45/490772445.db2.gz LJXNQMNEBCDPTP-CVEARBPZSA-N 2 1 371.485 0.780 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000514594137 490772447 /nfs/dbraw/zinc/77/24/47/490772447.db2.gz LJXNQMNEBCDPTP-CVEARBPZSA-N 2 1 371.485 0.780 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000514594140 490772798 /nfs/dbraw/zinc/77/27/98/490772798.db2.gz LJXNQMNEBCDPTP-JKSUJKDBSA-N 2 1 371.485 0.780 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000514594140 490772802 /nfs/dbraw/zinc/77/28/02/490772802.db2.gz LJXNQMNEBCDPTP-JKSUJKDBSA-N 2 1 371.485 0.780 20 0 FCADMP CC(C)Nc1nc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000488745872 490773842 /nfs/dbraw/zinc/77/38/42/490773842.db2.gz FCNHVDVDGOIVJZ-CQSZACIVSA-N 2 1 363.510 0.251 20 0 FCADMP CC(C)Nc1nc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000488745872 490773843 /nfs/dbraw/zinc/77/38/43/490773843.db2.gz FCNHVDVDGOIVJZ-CQSZACIVSA-N 2 1 363.510 0.251 20 0 FCADMP CC(=O)NCC(=O)N1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000528738801 490825667 /nfs/dbraw/zinc/82/56/67/490825667.db2.gz QSPPUAVECJYOMZ-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@]1(CO)C[NH+](CCCC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528751648 490826457 /nfs/dbraw/zinc/82/64/57/490826457.db2.gz MIZOKCODQUSSAF-FGYAAKKASA-N 2 1 372.550 0.392 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000516027810 490846538 /nfs/dbraw/zinc/84/65/38/490846538.db2.gz TWSSRQXGLRMCKW-DOTOQJQBSA-N 2 1 368.522 0.437 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000516695751 490875407 /nfs/dbraw/zinc/87/54/07/490875407.db2.gz OOUWOWLUGYXJNE-CABCVRRESA-N 2 1 350.463 0.152 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000516695751 490875409 /nfs/dbraw/zinc/87/54/09/490875409.db2.gz OOUWOWLUGYXJNE-CABCVRRESA-N 2 1 350.463 0.152 20 0 FCADMP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000517375971 490906566 /nfs/dbraw/zinc/90/65/66/490906566.db2.gz CTLWNEIQSLXHFO-QZTJIDSGSA-N 2 1 351.539 0.204 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000517821311 490922477 /nfs/dbraw/zinc/92/24/77/490922477.db2.gz RRQUPTKONPAECT-JKSUJKDBSA-N 2 1 353.511 0.761 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000518134222 490931305 /nfs/dbraw/zinc/93/13/05/490931305.db2.gz JXWOLDVUXVJLNN-HNNXBMFYSA-N 2 1 361.494 0.986 20 0 FCADMP CCS(=O)(=O)N(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000530908451 490931681 /nfs/dbraw/zinc/93/16/81/490931681.db2.gz KOOXSNREPHEVCZ-UHFFFAOYSA-N 2 1 355.464 0.053 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000531126027 490942148 /nfs/dbraw/zinc/94/21/48/490942148.db2.gz ARENCQXVLDANAK-KRWDZBQOSA-N 2 1 371.551 0.276 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C[C@H]12 ZINC000518514677 490943797 /nfs/dbraw/zinc/94/37/97/490943797.db2.gz IMSPEHRJCDAOGC-AGTSVGGPSA-N 2 1 360.502 0.657 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301115 490951230 /nfs/dbraw/zinc/95/12/30/490951230.db2.gz XGVRNQXQWCIEIO-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301115 490951231 /nfs/dbraw/zinc/95/12/31/490951231.db2.gz XGVRNQXQWCIEIO-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000518838897 490953650 /nfs/dbraw/zinc/95/36/50/490953650.db2.gz VYUXPMFSEQKIKH-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000519207167 490965325 /nfs/dbraw/zinc/96/53/25/490965325.db2.gz QXNNCPZZQINAFP-QGZVFWFLSA-N 2 1 357.543 0.478 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000519207166 490965396 /nfs/dbraw/zinc/96/53/96/490965396.db2.gz QXNNCPZZQINAFP-KRWDZBQOSA-N 2 1 357.543 0.478 20 0 FCADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000519593091 490977997 /nfs/dbraw/zinc/97/79/97/490977997.db2.gz ZKHDTPUFDHZDEE-INIZCTEOSA-N 2 1 366.893 0.944 20 0 FCADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000519593091 490978001 /nfs/dbraw/zinc/97/80/01/490978001.db2.gz ZKHDTPUFDHZDEE-INIZCTEOSA-N 2 1 366.893 0.944 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)O[C@H](CO)C3)CC2)CC1 ZINC000519612374 490979908 /nfs/dbraw/zinc/97/99/08/490979908.db2.gz LUNABBZHCXAPRH-YJBOKZPZSA-N 2 1 353.507 0.791 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000519640539 490981227 /nfs/dbraw/zinc/98/12/27/490981227.db2.gz DKESJCPSXQYNIH-RDJZCZTQSA-N 2 1 366.531 0.840 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532093841 490986434 /nfs/dbraw/zinc/98/64/34/490986434.db2.gz JXQXCZIYVMUXGT-IBGZPJMESA-N 2 1 365.566 0.641 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000569478961 491163381 /nfs/dbraw/zinc/16/33/81/491163381.db2.gz RTAIKQIEQNNXPH-GJZGRUSLSA-N 2 1 352.866 0.927 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC000553996419 491168475 /nfs/dbraw/zinc/16/84/75/491168475.db2.gz IBIBXCRUTBQQHG-BFZKSOEOSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996419 491168477 /nfs/dbraw/zinc/16/84/77/491168477.db2.gz IBIBXCRUTBQQHG-BFZKSOEOSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996419 491168480 /nfs/dbraw/zinc/16/84/80/491168480.db2.gz IBIBXCRUTBQQHG-BFZKSOEOSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[C@H](C)[N@@H+]1C ZINC000562672119 491180246 /nfs/dbraw/zinc/18/02/46/491180246.db2.gz MDNYWIFCVIMRJO-DJSILETISA-N 2 1 365.522 0.804 20 0 FCADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000562672119 491180248 /nfs/dbraw/zinc/18/02/48/491180248.db2.gz MDNYWIFCVIMRJO-DJSILETISA-N 2 1 365.522 0.804 20 0 FCADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H](C)[NH+]1C ZINC000562672119 491180249 /nfs/dbraw/zinc/18/02/49/491180249.db2.gz MDNYWIFCVIMRJO-DJSILETISA-N 2 1 365.522 0.804 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000572509524 491375491 /nfs/dbraw/zinc/37/54/91/491375491.db2.gz NUDCGWQSQCBYRP-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H]1C[C@@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000565431832 491376542 /nfs/dbraw/zinc/37/65/42/491376542.db2.gz QNQUUHDNZAPUAC-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000557561598 491383262 /nfs/dbraw/zinc/38/32/62/491383262.db2.gz OHMDCVSBUPEYAC-GJZGRUSLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000565615496 491389394 /nfs/dbraw/zinc/38/93/94/491389394.db2.gz FYHYJVCXVBQQDN-JKSUJKDBSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000565615496 491389397 /nfs/dbraw/zinc/38/93/97/491389397.db2.gz FYHYJVCXVBQQDN-JKSUJKDBSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000565615496 491389399 /nfs/dbraw/zinc/38/93/99/491389399.db2.gz FYHYJVCXVBQQDN-JKSUJKDBSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000565672244 491393034 /nfs/dbraw/zinc/39/30/34/491393034.db2.gz ZFMXLGNALQBTAK-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP Cc1cc(NC(=O)CC[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)no1 ZINC000565711931 491394706 /nfs/dbraw/zinc/39/47/06/491394706.db2.gz IMKOIZKYWSCOEO-AWEZNQCLSA-N 2 1 351.451 0.844 20 0 FCADMP Cc1cc(NC(=O)CC[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)no1 ZINC000565711931 491394707 /nfs/dbraw/zinc/39/47/07/491394707.db2.gz IMKOIZKYWSCOEO-AWEZNQCLSA-N 2 1 351.451 0.844 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000558007569 491408290 /nfs/dbraw/zinc/40/82/90/491408290.db2.gz VMNSCNPNWMLDAA-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000558007569 491408291 /nfs/dbraw/zinc/40/82/91/491408291.db2.gz VMNSCNPNWMLDAA-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000558007569 491408292 /nfs/dbraw/zinc/40/82/92/491408292.db2.gz VMNSCNPNWMLDAA-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000558010419 491408864 /nfs/dbraw/zinc/40/88/64/491408864.db2.gz JODAQDFGCFLQPQ-INIZCTEOSA-N 2 1 356.511 0.402 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000668389131 493345786 /nfs/dbraw/zinc/34/57/86/493345786.db2.gz ROWSXJCYYZEXCF-JKSUJKDBSA-N 2 1 368.522 0.448 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368564 493341870 /nfs/dbraw/zinc/34/18/70/493341870.db2.gz BNLRTJXIJUEMLX-QZTJIDSGSA-N 2 1 360.502 0.876 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000558210942 491419958 /nfs/dbraw/zinc/41/99/58/491419958.db2.gz WYLBTMNESTUSBT-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000566146896 491420376 /nfs/dbraw/zinc/42/03/76/491420376.db2.gz HMGLCZAGYGEJJX-CVEARBPZSA-N 2 1 362.474 0.672 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000566157389 491421311 /nfs/dbraw/zinc/42/13/11/491421311.db2.gz CQQCMFVSYNUISM-ZFWWWQNUSA-N 2 1 362.430 0.213 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000566157389 491421314 /nfs/dbraw/zinc/42/13/14/491421314.db2.gz CQQCMFVSYNUISM-ZFWWWQNUSA-N 2 1 362.430 0.213 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566244587 491429922 /nfs/dbraw/zinc/42/99/22/491429922.db2.gz ZPZXKDFVOWOEDZ-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000566288851 491432949 /nfs/dbraw/zinc/43/29/49/491432949.db2.gz NCURUQFPUVKXFR-OWCLPIDISA-N 2 1 364.494 0.649 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566296931 491433624 /nfs/dbraw/zinc/43/36/24/491433624.db2.gz AACINJNCNQMGGG-KRWDZBQOSA-N 2 1 362.522 0.352 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H](C)O1 ZINC000558548950 491435499 /nfs/dbraw/zinc/43/54/99/491435499.db2.gz FPAYMZMXIPSMQW-CALCHBBNSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H](C)O1 ZINC000558548950 491435502 /nfs/dbraw/zinc/43/55/02/491435502.db2.gz FPAYMZMXIPSMQW-CALCHBBNSA-N 2 1 370.538 0.974 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H](C)O1 ZINC000558548950 491435505 /nfs/dbraw/zinc/43/55/05/491435505.db2.gz FPAYMZMXIPSMQW-CALCHBBNSA-N 2 1 370.538 0.974 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000566396678 491440973 /nfs/dbraw/zinc/44/09/73/491440973.db2.gz FDYSPMWLZIVLNH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000566396678 491440974 /nfs/dbraw/zinc/44/09/74/491440974.db2.gz FDYSPMWLZIVLNH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000566396678 491440975 /nfs/dbraw/zinc/44/09/75/491440975.db2.gz FDYSPMWLZIVLNH-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000558725059 491443981 /nfs/dbraw/zinc/44/39/81/491443981.db2.gz KXKXBHMCCTZDSH-UHFFFAOYSA-N 3 1 354.539 0.973 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000566551410 491452943 /nfs/dbraw/zinc/45/29/43/491452943.db2.gz ZMWANUJHQJRIDD-DLBZAZTESA-N 2 1 360.506 0.891 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000573797772 491455649 /nfs/dbraw/zinc/45/56/49/491455649.db2.gz HNTNXQQLUUNSGE-HNNXBMFYSA-N 2 1 350.488 0.303 20 0 FCADMP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCN1CC[NH2+]CC1 ZINC000566620379 491456719 /nfs/dbraw/zinc/45/67/19/491456719.db2.gz BGUPRSDTLCQBBS-UHFFFAOYSA-N 2 1 355.504 0.696 20 0 FCADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCN1CC[NH2+]CC1 ZINC000566620379 491456720 /nfs/dbraw/zinc/45/67/20/491456720.db2.gz BGUPRSDTLCQBBS-UHFFFAOYSA-N 2 1 355.504 0.696 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000573826764 491457529 /nfs/dbraw/zinc/45/75/29/491457529.db2.gz JVDILEDCYOBGPV-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000573826764 491457530 /nfs/dbraw/zinc/45/75/30/491457530.db2.gz JVDILEDCYOBGPV-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000573826764 491457532 /nfs/dbraw/zinc/45/75/32/491457532.db2.gz JVDILEDCYOBGPV-MRXNPFEDSA-N 2 1 354.495 0.015 20 0 FCADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310681 491464015 /nfs/dbraw/zinc/46/40/15/491464015.db2.gz CJCBORPNSQJFED-FQEVSTJZSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310681 491464016 /nfs/dbraw/zinc/46/40/16/491464016.db2.gz CJCBORPNSQJFED-FQEVSTJZSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310681 491464017 /nfs/dbraw/zinc/46/40/17/491464017.db2.gz CJCBORPNSQJFED-FQEVSTJZSA-N 2 1 372.517 0.933 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)CC[N@@H+]1C ZINC000559360642 491467073 /nfs/dbraw/zinc/46/70/73/491467073.db2.gz MKIHDHOUSYUMDZ-LSDHHAIUSA-N 2 1 350.463 0.797 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000559396435 491469965 /nfs/dbraw/zinc/46/99/65/491469965.db2.gz NFHIIDDBOCQGOP-IYBDPMFKSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000559415456 491471082 /nfs/dbraw/zinc/47/10/82/491471082.db2.gz VXKRNHVSCSCWFH-QRVBRYPASA-N 2 1 372.513 0.828 20 0 FCADMP C[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574141731 491476730 /nfs/dbraw/zinc/47/67/30/491476730.db2.gz LKXGSPARNOZWKT-WBVHZDCISA-N 2 1 350.463 0.239 20 0 FCADMP C[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574141731 491476733 /nfs/dbraw/zinc/47/67/33/491476733.db2.gz LKXGSPARNOZWKT-WBVHZDCISA-N 2 1 350.463 0.239 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000566973817 491478474 /nfs/dbraw/zinc/47/84/74/491478474.db2.gz HMKGJHPFRJOQIY-AVGNSLFASA-N 2 1 352.504 0.853 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000566973817 491478476 /nfs/dbraw/zinc/47/84/76/491478476.db2.gz HMKGJHPFRJOQIY-AVGNSLFASA-N 2 1 352.504 0.853 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574179961 491479810 /nfs/dbraw/zinc/47/98/10/491479810.db2.gz AIDAUNHAHAPEOM-RCJHGTSTSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559588535 491483247 /nfs/dbraw/zinc/48/32/47/491483247.db2.gz OMRLXMBZEZDVMV-OAHLLOKOSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000567067002 491483671 /nfs/dbraw/zinc/48/36/71/491483671.db2.gz LMPZJNHAJAZXGW-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668389131 493345782 /nfs/dbraw/zinc/34/57/82/493345782.db2.gz ROWSXJCYYZEXCF-JKSUJKDBSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000668389131 493345784 /nfs/dbraw/zinc/34/57/84/493345784.db2.gz ROWSXJCYYZEXCF-JKSUJKDBSA-N 2 1 368.522 0.448 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000559668019 491490872 /nfs/dbraw/zinc/49/08/72/491490872.db2.gz DZSWVBMLOCFATK-INIZCTEOSA-N 2 1 374.485 0.596 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000567201683 491491899 /nfs/dbraw/zinc/49/18/99/491491899.db2.gz HQNQYYNCDZLFCI-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000567201683 491491902 /nfs/dbraw/zinc/49/19/02/491491902.db2.gz HQNQYYNCDZLFCI-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000567201683 491491903 /nfs/dbraw/zinc/49/19/03/491491903.db2.gz HQNQYYNCDZLFCI-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000567194297 491491974 /nfs/dbraw/zinc/49/19/74/491491974.db2.gz RQKKACOBIYYQEQ-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000574386430 491492527 /nfs/dbraw/zinc/49/25/27/491492527.db2.gz WEDYJXFZGXGEEN-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000559705799 491493249 /nfs/dbraw/zinc/49/32/49/491493249.db2.gz XLBZTHNPOYWATN-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000567281762 491496817 /nfs/dbraw/zinc/49/68/17/491496817.db2.gz MWPIJCSTYBRZCV-UHFFFAOYSA-N 2 1 364.538 0.634 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000574439043 491496823 /nfs/dbraw/zinc/49/68/23/491496823.db2.gz OXQPPISXPAFXIJ-UHFFFAOYSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+](CCCNC(=O)C(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000559761281 491497073 /nfs/dbraw/zinc/49/70/73/491497073.db2.gz BAFFKWKTUFEFOS-UHFFFAOYSA-N 2 1 370.563 0.922 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000559761281 491497075 /nfs/dbraw/zinc/49/70/75/491497075.db2.gz BAFFKWKTUFEFOS-UHFFFAOYSA-N 2 1 370.563 0.922 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000559763633 491497466 /nfs/dbraw/zinc/49/74/66/491497466.db2.gz QUOKPPUAGSKDIS-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000559763633 491497467 /nfs/dbraw/zinc/49/74/67/491497467.db2.gz QUOKPPUAGSKDIS-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000559763633 491497468 /nfs/dbraw/zinc/49/74/68/491497468.db2.gz QUOKPPUAGSKDIS-SJORKVTESA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000574497392 491500623 /nfs/dbraw/zinc/50/06/23/491500623.db2.gz GQEYBKGGENFFGL-UHFFFAOYSA-N 2 1 368.522 0.899 20 0 FCADMP CCC(CC)[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571486 491514666 /nfs/dbraw/zinc/51/46/66/491514666.db2.gz HZPIFTFYZGJQFV-SJORKVTESA-N 2 1 355.527 0.408 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000560024572 491516230 /nfs/dbraw/zinc/51/62/30/491516230.db2.gz MUWUWFZTRVRIPD-DLBZAZTESA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560024572 491516232 /nfs/dbraw/zinc/51/62/32/491516232.db2.gz MUWUWFZTRVRIPD-DLBZAZTESA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560024572 491516234 /nfs/dbraw/zinc/51/62/34/491516234.db2.gz MUWUWFZTRVRIPD-DLBZAZTESA-N 2 1 366.506 0.035 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CCCO1 ZINC000683373594 493347817 /nfs/dbraw/zinc/34/78/17/493347817.db2.gz FPGFZRSRIDSXJG-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CCCO1 ZINC000683373594 493347819 /nfs/dbraw/zinc/34/78/19/493347819.db2.gz FPGFZRSRIDSXJG-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CCCO1 ZINC000683373594 493347822 /nfs/dbraw/zinc/34/78/22/493347822.db2.gz FPGFZRSRIDSXJG-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778094 491519721 /nfs/dbraw/zinc/51/97/21/491519721.db2.gz JVKVFQRMKCEJIU-WBVHZDCISA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000574778094 491519722 /nfs/dbraw/zinc/51/97/22/491519722.db2.gz JVKVFQRMKCEJIU-WBVHZDCISA-N 2 1 362.474 0.070 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000567692541 491523162 /nfs/dbraw/zinc/52/31/62/491523162.db2.gz WMJPLUKRKFKDAI-INIZCTEOSA-N 2 1 353.438 0.457 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567735715 491526150 /nfs/dbraw/zinc/52/61/50/491526150.db2.gz QREKHGNARIOBHR-KSZLIROESA-N 2 1 358.486 0.950 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000567815063 491531506 /nfs/dbraw/zinc/53/15/06/491531506.db2.gz VFAMNSGTDOGQAX-BDJLRTHQSA-N 2 1 356.829 0.663 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)N3CCNCC3)CC2)CC1 ZINC000567894859 491539049 /nfs/dbraw/zinc/53/90/49/491539049.db2.gz ZEJXWYVTKOQMDJ-UHFFFAOYSA-N 2 1 351.539 0.158 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000575101119 491539146 /nfs/dbraw/zinc/53/91/46/491539146.db2.gz TXVJDQXACPZLIA-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000575101119 491539148 /nfs/dbraw/zinc/53/91/48/491539148.db2.gz TXVJDQXACPZLIA-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000575108639 491539610 /nfs/dbraw/zinc/53/96/10/491539610.db2.gz WMLMEFVZGAXTGI-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000575243555 491547510 /nfs/dbraw/zinc/54/75/10/491547510.db2.gz LJBNHDHEFOWVQC-QRVBRYPASA-N 2 1 370.497 0.774 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000560795571 491558055 /nfs/dbraw/zinc/55/80/55/491558055.db2.gz GKKAMFZJABGRBG-INIZCTEOSA-N 2 1 370.563 0.922 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000560795571 491558056 /nfs/dbraw/zinc/55/80/56/491558056.db2.gz GKKAMFZJABGRBG-INIZCTEOSA-N 2 1 370.563 0.922 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000568207896 491559552 /nfs/dbraw/zinc/55/95/52/491559552.db2.gz RKDAVRYOGYKGEP-GOSISDBHSA-N 2 1 371.485 0.941 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884324 491561487 /nfs/dbraw/zinc/56/14/87/491561487.db2.gz MGRUPERXTNRQSJ-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560884324 491561488 /nfs/dbraw/zinc/56/14/88/491561488.db2.gz MGRUPERXTNRQSJ-HOTGVXAUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887747 491562746 /nfs/dbraw/zinc/56/27/46/491562746.db2.gz WODDRTDRMVPGRF-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000560887747 491562748 /nfs/dbraw/zinc/56/27/48/491562748.db2.gz WODDRTDRMVPGRF-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1C ZINC000575882107 491567100 /nfs/dbraw/zinc/56/71/00/491567100.db2.gz JDXZGFFUQLOZPR-HZPDHXFCSA-N 2 1 361.442 0.599 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1C ZINC000575882107 491567102 /nfs/dbraw/zinc/56/71/02/491567102.db2.gz JDXZGFFUQLOZPR-HZPDHXFCSA-N 2 1 361.442 0.599 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1C ZINC000575882105 491567330 /nfs/dbraw/zinc/56/73/30/491567330.db2.gz JDXZGFFUQLOZPR-CVEARBPZSA-N 2 1 361.442 0.599 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1C ZINC000575882105 491567331 /nfs/dbraw/zinc/56/73/31/491567331.db2.gz JDXZGFFUQLOZPR-CVEARBPZSA-N 2 1 361.442 0.599 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC000561010452 491569627 /nfs/dbraw/zinc/56/96/27/491569627.db2.gz GBPWNTOUSCQEDN-UHFFFAOYSA-N 2 1 368.522 0.593 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000561014308 491570145 /nfs/dbraw/zinc/57/01/45/491570145.db2.gz GZTDIRISAMDYCG-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP Cc1ncc2n1C[C@@H](C(=O)NC1CCN([C@@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928122 491570703 /nfs/dbraw/zinc/57/07/03/491570703.db2.gz BFRXLSXKDCFNHY-WMLDXEAASA-N 2 1 359.474 0.565 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000561016446 491570908 /nfs/dbraw/zinc/57/09/08/491570908.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1CC1 ZINC000561016446 491570911 /nfs/dbraw/zinc/57/09/11/491570911.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1CC1 ZINC000561016446 491570914 /nfs/dbraw/zinc/57/09/14/491570914.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000561016446 491570916 /nfs/dbraw/zinc/57/09/16/491570916.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000561016446 491570918 /nfs/dbraw/zinc/57/09/18/491570918.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP C[N@@H+](C[C@H](O)CNCc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383512 491573278 /nfs/dbraw/zinc/57/32/78/491573278.db2.gz QBVYKFXIZWOEIU-OAHLLOKOSA-N 2 1 371.478 0.910 20 0 FCADMP CN(C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383512 491573280 /nfs/dbraw/zinc/57/32/80/491573280.db2.gz QBVYKFXIZWOEIU-OAHLLOKOSA-N 2 1 371.478 0.910 20 0 FCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000576010709 491575808 /nfs/dbraw/zinc/57/58/08/491575808.db2.gz IFDQXNVWYHSXNP-HNNXBMFYSA-N 2 1 364.490 0.101 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576044286 491577754 /nfs/dbraw/zinc/57/77/54/491577754.db2.gz NZYGNCUDYKSAJE-KURKYZTESA-N 2 1 372.517 0.835 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000568501509 491580922 /nfs/dbraw/zinc/58/09/22/491580922.db2.gz PBNBKMJSSDLTEI-RHSMWYFYSA-N 2 1 358.442 0.938 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045377 491583894 /nfs/dbraw/zinc/58/38/94/491583894.db2.gz JIEONRDYFZDFDV-ULQDDVLXSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045377 491583897 /nfs/dbraw/zinc/58/38/97/491583897.db2.gz JIEONRDYFZDFDV-ULQDDVLXSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045377 491583900 /nfs/dbraw/zinc/58/39/00/491583900.db2.gz JIEONRDYFZDFDV-ULQDDVLXSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000577045377 491583903 /nfs/dbraw/zinc/58/39/03/491583903.db2.gz JIEONRDYFZDFDV-ULQDDVLXSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577112558 491591265 /nfs/dbraw/zinc/59/12/65/491591265.db2.gz XZOHJVPFOXYQAP-VVLHAWIVSA-N 2 1 367.538 0.245 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[N@@H+]1CCOC ZINC000568633377 491595650 /nfs/dbraw/zinc/59/56/50/491595650.db2.gz JDCPFIYOKBOBRW-HOTGVXAUSA-N 2 1 364.494 0.603 20 0 FCADMP CCC[C@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[N@H+]1CCOC ZINC000568633377 491595653 /nfs/dbraw/zinc/59/56/53/491595653.db2.gz JDCPFIYOKBOBRW-HOTGVXAUSA-N 2 1 364.494 0.603 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577163162 491596870 /nfs/dbraw/zinc/59/68/70/491596870.db2.gz YMWOCGHAKYLBEP-INIZCTEOSA-N 2 1 350.507 0.966 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000568729019 491604301 /nfs/dbraw/zinc/60/43/01/491604301.db2.gz RRQHCRNWGQAVQL-DOTOQJQBSA-N 2 1 374.485 0.721 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000568729019 491604302 /nfs/dbraw/zinc/60/43/02/491604302.db2.gz RRQHCRNWGQAVQL-DOTOQJQBSA-N 2 1 374.485 0.721 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C[C@H](C)O1 ZINC000576330391 491605156 /nfs/dbraw/zinc/60/51/56/491605156.db2.gz MZGIZAUERARXOX-JZXOWHBKSA-N 2 1 367.538 0.421 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000568745673 491605390 /nfs/dbraw/zinc/60/53/90/491605390.db2.gz YUUNXOXHHRHSOZ-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(COC)C(=O)OC)CC2)CC1 ZINC000577230188 491605421 /nfs/dbraw/zinc/60/54/21/491605421.db2.gz JHWCFJGRASHMMX-IBGZPJMESA-N 2 1 369.506 0.877 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000576458647 491616400 /nfs/dbraw/zinc/61/64/00/491616400.db2.gz XPBHZPVDLFHFKZ-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000568915980 491619823 /nfs/dbraw/zinc/61/98/23/491619823.db2.gz WTTGGNXXEIHKJU-IXDOHACOSA-N 2 1 365.522 0.842 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008763 491627077 /nfs/dbraw/zinc/62/70/77/491627077.db2.gz YOGFCQKEWQSGLA-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC1=O ZINC000577620522 491637204 /nfs/dbraw/zinc/63/72/04/491637204.db2.gz QMQLTJHLECXQRA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000577620522 491637207 /nfs/dbraw/zinc/63/72/07/491637207.db2.gz QMQLTJHLECXQRA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000577620522 491637208 /nfs/dbraw/zinc/63/72/08/491637208.db2.gz QMQLTJHLECXQRA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000562001786 491646802 /nfs/dbraw/zinc/64/68/02/491646802.db2.gz PVBBCHSPRSCECH-ULQDDVLXSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943491 491658548 /nfs/dbraw/zinc/65/85/48/491658548.db2.gz KSGWFQLWKGSVGA-IEBWSBKVSA-N 2 1 358.486 0.911 20 0 FCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000578062309 491668933 /nfs/dbraw/zinc/66/89/33/491668933.db2.gz SEYDTAAQXACTCM-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000578062309 491668934 /nfs/dbraw/zinc/66/89/34/491668934.db2.gz SEYDTAAQXACTCM-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000578445854 491677506 /nfs/dbraw/zinc/67/75/06/491677506.db2.gz WMKKBPJWWCEAFW-HDICACEKSA-N 2 1 351.539 0.014 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000578549992 491679632 /nfs/dbraw/zinc/67/96/32/491679632.db2.gz KILHQLQUDRRAAN-INIZCTEOSA-N 2 1 368.522 0.545 20 0 FCADMP [NH3+][C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 ZINC000579109125 491691230 /nfs/dbraw/zinc/69/12/30/491691230.db2.gz ODFVGQZCXMROLP-QZTJIDSGSA-N 2 1 374.485 0.516 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147905 491692116 /nfs/dbraw/zinc/69/21/16/491692116.db2.gz WZWVIIQZNCHMMK-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000579187926 491692694 /nfs/dbraw/zinc/69/26/94/491692694.db2.gz WIKMNXLBHPLBLC-MRXNPFEDSA-N 2 1 353.511 0.620 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579212961 491693038 /nfs/dbraw/zinc/69/30/38/491693038.db2.gz CHKDZBYCJJJUPI-HLLBOEOZSA-N 2 1 362.474 0.198 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579355268 491696209 /nfs/dbraw/zinc/69/62/09/491696209.db2.gz ZDSFKMHBRAMISW-GVDBMIGSSA-N 2 1 366.506 0.428 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000579392505 491697042 /nfs/dbraw/zinc/69/70/42/491697042.db2.gz CSLMTZQDJMBMTO-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP O=C(C[NH2+]C(CO)CO)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000579609238 491701557 /nfs/dbraw/zinc/70/15/57/491701557.db2.gz RBECTOQVOWSRHJ-UHFFFAOYSA-N 2 1 357.454 0.427 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000579847318 491706729 /nfs/dbraw/zinc/70/67/29/491706729.db2.gz IYULQJNDCHMCOQ-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000579847318 491706730 /nfs/dbraw/zinc/70/67/30/491706730.db2.gz IYULQJNDCHMCOQ-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936351 491710095 /nfs/dbraw/zinc/71/00/95/491710095.db2.gz FSWIWODCIMRCOP-RDJZCZTQSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936351 491710097 /nfs/dbraw/zinc/71/00/97/491710097.db2.gz FSWIWODCIMRCOP-RDJZCZTQSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584807888 491715396 /nfs/dbraw/zinc/71/53/96/491715396.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715397 /nfs/dbraw/zinc/71/53/97/491715397.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715399 /nfs/dbraw/zinc/71/53/99/491715399.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 2 1 368.566 0.291 20 0 FCADMP [NH3+][C@H]1C[C@@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000580314881 491725786 /nfs/dbraw/zinc/72/57/86/491725786.db2.gz MROYFHQNLLHSQU-IYBDPMFKSA-N 2 1 360.458 0.701 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587100110 491734828 /nfs/dbraw/zinc/73/48/28/491734828.db2.gz OUUYWZDMRJSAAG-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000587100110 491734829 /nfs/dbraw/zinc/73/48/29/491734829.db2.gz OUUYWZDMRJSAAG-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587100110 491734830 /nfs/dbraw/zinc/73/48/30/491734830.db2.gz OUUYWZDMRJSAAG-ZACQAIPSSA-N 2 1 365.522 0.855 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000580538438 491735073 /nfs/dbraw/zinc/73/50/73/491735073.db2.gz HFYRFJSLTAIHAC-TZMCWYRMSA-N 2 1 350.488 0.820 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000668493395 493363278 /nfs/dbraw/zinc/36/32/78/493363278.db2.gz HQCLDLKVNUMSJA-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000668493395 493363281 /nfs/dbraw/zinc/36/32/81/493363281.db2.gz HQCLDLKVNUMSJA-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000668493395 493363284 /nfs/dbraw/zinc/36/32/84/493363284.db2.gz HQCLDLKVNUMSJA-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000668493395 493363286 /nfs/dbraw/zinc/36/32/86/493363286.db2.gz HQCLDLKVNUMSJA-SFHVURJKSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000580729228 491743630 /nfs/dbraw/zinc/74/36/30/491743630.db2.gz LLGLUNJJANRLNK-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000660532338 493360409 /nfs/dbraw/zinc/36/04/09/493360409.db2.gz HAKUDEIFFUGGAU-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)cc2)CC1 ZINC000581081104 491758587 /nfs/dbraw/zinc/75/85/87/491758587.db2.gz CSFJVPXMBWVOOE-OAQYLSRUSA-N 2 1 372.513 0.621 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000581179203 491762621 /nfs/dbraw/zinc/76/26/21/491762621.db2.gz SOVRFSAWRAJVFT-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000581179203 491762623 /nfs/dbraw/zinc/76/26/23/491762623.db2.gz SOVRFSAWRAJVFT-CQSZACIVSA-N 2 1 374.485 0.574 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000581484715 491774696 /nfs/dbraw/zinc/77/46/96/491774696.db2.gz ZQZGSBNMLFLDLZ-OAHLLOKOSA-N 2 1 352.479 0.676 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000581484715 491774697 /nfs/dbraw/zinc/77/46/97/491774697.db2.gz ZQZGSBNMLFLDLZ-OAHLLOKOSA-N 2 1 352.479 0.676 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581551118 491777510 /nfs/dbraw/zinc/77/75/10/491777510.db2.gz BJCFGEYZTPALMQ-AZUAARDMSA-N 2 1 371.529 0.703 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835865 491786930 /nfs/dbraw/zinc/78/69/30/491786930.db2.gz MJGHEJRAGQJEOT-OKZBNKHCSA-N 2 1 372.469 0.048 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CCN2C1=O ZINC000581835865 491786931 /nfs/dbraw/zinc/78/69/31/491786931.db2.gz MJGHEJRAGQJEOT-OKZBNKHCSA-N 2 1 372.469 0.048 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000581839542 491787122 /nfs/dbraw/zinc/78/71/22/491787122.db2.gz LSOGUPFFAUHFSY-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000591080060 491795474 /nfs/dbraw/zinc/79/54/74/491795474.db2.gz LPDKAVKWQQNUMJ-UHFFFAOYSA-N 2 1 354.476 0.546 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582122839 491798842 /nfs/dbraw/zinc/79/88/42/491798842.db2.gz GOBRPKBXEBUKSA-IAGOWNOFSA-N 2 1 374.485 0.488 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582231546 491803268 /nfs/dbraw/zinc/80/32/68/491803268.db2.gz NHOZSDSDIFSRJD-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000591411743 491804905 /nfs/dbraw/zinc/80/49/05/491804905.db2.gz INJWTPCSXLAGTE-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000591411743 491804907 /nfs/dbraw/zinc/80/49/07/491804907.db2.gz INJWTPCSXLAGTE-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000591411743 491804908 /nfs/dbraw/zinc/80/49/08/491804908.db2.gz INJWTPCSXLAGTE-OWCLPIDISA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000591410575 491805079 /nfs/dbraw/zinc/80/50/79/491805079.db2.gz RJDXKXQSPSYBCU-SFHVURJKSA-N 2 1 373.501 0.889 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000591410575 491805081 /nfs/dbraw/zinc/80/50/81/491805081.db2.gz RJDXKXQSPSYBCU-SFHVURJKSA-N 2 1 373.501 0.889 20 0 FCADMP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582290630 491805935 /nfs/dbraw/zinc/80/59/35/491805935.db2.gz LWGDKROIYIMAQM-GJZGRUSLSA-N 2 1 351.495 0.370 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000591458452 491806629 /nfs/dbraw/zinc/80/66/29/491806629.db2.gz MINTZZTWMKGGJF-INIZCTEOSA-N 2 1 373.501 0.787 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000591458452 491806630 /nfs/dbraw/zinc/80/66/30/491806630.db2.gz MINTZZTWMKGGJF-INIZCTEOSA-N 2 1 373.501 0.787 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000591570723 491809109 /nfs/dbraw/zinc/80/91/09/491809109.db2.gz GLXQMNFECGOKFK-INIZCTEOSA-N 2 1 354.539 0.923 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582418813 491811583 /nfs/dbraw/zinc/81/15/83/491811583.db2.gz RWGGNXPUBOEVHJ-GOSISDBHSA-N 2 1 373.501 0.135 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)Cc2ccccc2)C1 ZINC000582681549 491822476 /nfs/dbraw/zinc/82/24/76/491822476.db2.gz AYCDAYGQZAASJW-IPMKNSEASA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000582681549 491822477 /nfs/dbraw/zinc/82/24/77/491822477.db2.gz AYCDAYGQZAASJW-IPMKNSEASA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000582681549 491822478 /nfs/dbraw/zinc/82/24/78/491822478.db2.gz AYCDAYGQZAASJW-IPMKNSEASA-N 2 1 372.513 0.734 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000582834529 491828566 /nfs/dbraw/zinc/82/85/66/491828566.db2.gz MIMRFLYKQOCGKX-GJZGRUSLSA-N 2 1 367.519 0.324 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852503 491829482 /nfs/dbraw/zinc/82/94/82/491829482.db2.gz DWJQHKJFSUJETQ-JKSUJKDBSA-N 2 1 370.538 0.552 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582914924 491832350 /nfs/dbraw/zinc/83/23/50/491832350.db2.gz HNJWKQCLUHEDLR-RCCFBDPRSA-N 2 1 371.485 0.604 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582954444 491833840 /nfs/dbraw/zinc/83/38/40/491833840.db2.gz YSGQDTPYEJQWIB-IRXDYDNUSA-N 2 1 360.506 0.986 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000583371987 491843485 /nfs/dbraw/zinc/84/34/85/491843485.db2.gz WTIBLHPRWSSTIB-DOTOQJQBSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583379826 491843595 /nfs/dbraw/zinc/84/35/95/491843595.db2.gz RXCVTJISWQAPCB-HUUCEWRRSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000583637172 491849234 /nfs/dbraw/zinc/84/92/34/491849234.db2.gz DPFLIGAFEABPRM-BLNMRFBMSA-N 2 1 351.495 0.462 20 0 FCADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000583637175 491849278 /nfs/dbraw/zinc/84/92/78/491849278.db2.gz DPFLIGAFEABPRM-YZDRTPDPSA-N 2 1 351.495 0.462 20 0 FCADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000583689206 491850122 /nfs/dbraw/zinc/85/01/22/491850122.db2.gz YBFVNTNLXJZGSW-QGZVFWFLSA-N 2 1 363.458 0.383 20 0 FCADMP CC1(C)[C@H]([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000583761005 491851442 /nfs/dbraw/zinc/85/14/42/491851442.db2.gz CMJGBQWTVGEPQI-CVEARBPZSA-N 2 1 353.507 0.887 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000583897953 491854447 /nfs/dbraw/zinc/85/44/47/491854447.db2.gz TUOPTAJAVCRRRS-VYDXJSESSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(CC(F)F)C(=O)[C@@H]1CCC[NH+]1C ZINC000584003928 491856425 /nfs/dbraw/zinc/85/64/25/491856425.db2.gz ULZFZQHYPSPXEJ-IHRRRGAJSA-N 2 1 360.449 0.773 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)N(CC(F)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000584003928 491856426 /nfs/dbraw/zinc/85/64/26/491856426.db2.gz ULZFZQHYPSPXEJ-IHRRRGAJSA-N 2 1 360.449 0.773 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)N(CC(F)F)C(=O)[C@@H]1CCC[N@H+]1C ZINC000584003928 491856427 /nfs/dbraw/zinc/85/64/27/491856427.db2.gz ULZFZQHYPSPXEJ-IHRRRGAJSA-N 2 1 360.449 0.773 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584163064 491859670 /nfs/dbraw/zinc/85/96/70/491859670.db2.gz UIVDEICZJWBRQM-BFYDXBDKSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584163064 491859671 /nfs/dbraw/zinc/85/96/71/491859671.db2.gz UIVDEICZJWBRQM-BFYDXBDKSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000584249328 491861656 /nfs/dbraw/zinc/86/16/56/491861656.db2.gz GZRAVFSLDKCRDL-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@@H](C)O1 ZINC000584281637 491862050 /nfs/dbraw/zinc/86/20/50/491862050.db2.gz KDHNCGOWYDBBAH-XQZMSQOBSA-N 2 1 366.506 0.504 20 0 FCADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@H](C)O1 ZINC000584281635 491862092 /nfs/dbraw/zinc/86/20/92/491862092.db2.gz KDHNCGOWYDBBAH-GCDKYVQMSA-N 2 1 366.506 0.504 20 0 FCADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCN(c2ncccn2)CC1 ZINC000584295353 491862572 /nfs/dbraw/zinc/86/25/72/491862572.db2.gz ZTDLHAYRKUBPQS-LJQANCHMSA-N 2 1 358.490 0.591 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649022 491865067 /nfs/dbraw/zinc/86/50/67/491865067.db2.gz LYACCWURWLTPRT-RDTXWAMCSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1=O ZINC000594871816 491869063 /nfs/dbraw/zinc/86/90/63/491869063.db2.gz GAEORKMDILNVQT-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000594871816 491869064 /nfs/dbraw/zinc/86/90/64/491869064.db2.gz GAEORKMDILNVQT-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000594871816 491869066 /nfs/dbraw/zinc/86/90/66/491869066.db2.gz GAEORKMDILNVQT-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000611757588 491872650 /nfs/dbraw/zinc/87/26/50/491872650.db2.gz GAZMMLHRQXFTEE-HOTGVXAUSA-N 2 1 350.507 0.990 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000600999674 491892062 /nfs/dbraw/zinc/89/20/62/491892062.db2.gz CTYHQECELFMQCS-KRWDZBQOSA-N 2 1 360.506 0.979 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)nn1C ZINC000601029139 491893975 /nfs/dbraw/zinc/89/39/75/491893975.db2.gz JTUKMXSOVSJUSW-AWEZNQCLSA-N 2 1 365.478 0.695 20 0 FCADMP Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000595264391 491909117 /nfs/dbraw/zinc/90/91/17/491909117.db2.gz MVKYMUSIMDJKAF-CVEARBPZSA-N 2 1 372.473 0.444 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CC3([NH+](C)C)CC3)C2)CC1 ZINC000601370284 491909891 /nfs/dbraw/zinc/90/98/91/491909891.db2.gz PJRPPMBTHYZLEB-MRXNPFEDSA-N 2 1 358.552 0.511 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000612546247 491932150 /nfs/dbraw/zinc/93/21/50/491932150.db2.gz QQRWUAKSUOSICF-MRXNPFEDSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612592183 491936142 /nfs/dbraw/zinc/93/61/42/491936142.db2.gz NSYYJDCVLJRVQF-JKSUJKDBSA-N 2 1 366.506 0.345 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612776357 491950162 /nfs/dbraw/zinc/95/01/62/491950162.db2.gz KFXFELJQNITOQS-QGZVFWFLSA-N 2 1 350.507 0.825 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780988 491950781 /nfs/dbraw/zinc/95/07/81/491950781.db2.gz KQWWHZCVRDIDGZ-UHFFFAOYSA-N 2 1 368.547 0.390 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987492 491961277 /nfs/dbraw/zinc/96/12/77/491961277.db2.gz OBDBFYPXDALACC-HNNXBMFYSA-N 2 1 352.479 0.309 20 0 FCADMP C[N@H+](CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000602486109 491989206 /nfs/dbraw/zinc/98/92/06/491989206.db2.gz OYJFMYJYIFEGEZ-XMMPIXPASA-N 2 1 355.479 0.874 20 0 FCADMP C[N@@H+](CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000602486109 491989207 /nfs/dbraw/zinc/98/92/07/491989207.db2.gz OYJFMYJYIFEGEZ-XMMPIXPASA-N 2 1 355.479 0.874 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000596843672 492002273 /nfs/dbraw/zinc/00/22/73/492002273.db2.gz HSGZPHYTVWHYDF-HOTGVXAUSA-N 2 1 354.495 0.853 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000597226097 492023636 /nfs/dbraw/zinc/02/36/36/492023636.db2.gz QZZDPMPIOPIMCD-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604640645 492066124 /nfs/dbraw/zinc/06/61/24/492066124.db2.gz YANWOBFUNJWUQU-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604640645 492066125 /nfs/dbraw/zinc/06/61/25/492066125.db2.gz YANWOBFUNJWUQU-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604640645 492066127 /nfs/dbraw/zinc/06/61/27/492066127.db2.gz YANWOBFUNJWUQU-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983449 492067496 /nfs/dbraw/zinc/06/74/96/492067496.db2.gz FQWPTXUNIYJCQI-DINLJIAVSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983449 492067498 /nfs/dbraw/zinc/06/74/98/492067498.db2.gz FQWPTXUNIYJCQI-DINLJIAVSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000614983449 492067499 /nfs/dbraw/zinc/06/74/99/492067499.db2.gz FQWPTXUNIYJCQI-DINLJIAVSA-N 2 1 350.507 0.774 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000606436734 492122456 /nfs/dbraw/zinc/12/24/56/492122456.db2.gz HWBMLDJMKHUCSU-MSOLQXFVSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000606436734 492122458 /nfs/dbraw/zinc/12/24/58/492122458.db2.gz HWBMLDJMKHUCSU-MSOLQXFVSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000606531633 492123782 /nfs/dbraw/zinc/12/37/82/492123782.db2.gz LGXAOIFPFCTMSX-HDICACEKSA-N 2 1 351.539 0.251 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000606531633 492123783 /nfs/dbraw/zinc/12/37/83/492123783.db2.gz LGXAOIFPFCTMSX-HDICACEKSA-N 2 1 351.539 0.251 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000606663124 492126209 /nfs/dbraw/zinc/12/62/09/492126209.db2.gz ADAMUHBFONSRMD-MRXNPFEDSA-N 2 1 353.511 0.890 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000606678140 492126223 /nfs/dbraw/zinc/12/62/23/492126223.db2.gz YLHVYTFALVOZIZ-HOTGVXAUSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000606678140 492126225 /nfs/dbraw/zinc/12/62/25/492126225.db2.gz YLHVYTFALVOZIZ-HOTGVXAUSA-N 2 1 353.511 0.746 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)CC1 ZINC000607245339 492142132 /nfs/dbraw/zinc/14/21/32/492142132.db2.gz LDZGLVJVDVOZKR-QGZVFWFLSA-N 3 1 368.570 0.290 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000607245339 492142135 /nfs/dbraw/zinc/14/21/35/492142135.db2.gz LDZGLVJVDVOZKR-QGZVFWFLSA-N 3 1 368.570 0.290 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)NCCCCN2CC[NH+](C)CC2)n1 ZINC000608328148 492172792 /nfs/dbraw/zinc/17/27/92/492172792.db2.gz JBUDFQSNESPOJX-UHFFFAOYSA-N 2 1 351.499 0.594 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC[NH+]1CCCC1 ZINC000599967014 492224218 /nfs/dbraw/zinc/22/42/18/492224218.db2.gz BYMCKPDMZUHOOR-QGZVFWFLSA-N 2 1 366.506 0.302 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000611373787 492287212 /nfs/dbraw/zinc/28/72/12/492287212.db2.gz OIYPFTFXOVLNAG-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000611373787 492287213 /nfs/dbraw/zinc/28/72/13/492287213.db2.gz OIYPFTFXOVLNAG-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000611373787 492287214 /nfs/dbraw/zinc/28/72/14/492287214.db2.gz OIYPFTFXOVLNAG-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000611373787 492287215 /nfs/dbraw/zinc/28/72/15/492287215.db2.gz OIYPFTFXOVLNAG-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647486358 492295026 /nfs/dbraw/zinc/29/50/26/492295026.db2.gz GXIUPKAYVLDSSJ-KRWDZBQOSA-N 2 1 354.458 0.911 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785239 492305773 /nfs/dbraw/zinc/30/57/73/492305773.db2.gz ZHUWFWFLMMLVKY-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641785239 492305776 /nfs/dbraw/zinc/30/57/76/492305776.db2.gz ZHUWFWFLMMLVKY-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641785239 492305779 /nfs/dbraw/zinc/30/57/79/492305779.db2.gz ZHUWFWFLMMLVKY-ZWKOTPCHSA-N 2 1 369.554 0.813 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826609 492311439 /nfs/dbraw/zinc/31/14/39/492311439.db2.gz OATZXMPUEFQRHT-QZTJIDSGSA-N 2 1 369.554 0.811 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627475183 492312991 /nfs/dbraw/zinc/31/29/91/492312991.db2.gz HCXAOIGGEUTCPC-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641840653 492316902 /nfs/dbraw/zinc/31/69/02/492316902.db2.gz ASBSKHWDSMHZTP-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641840653 492316905 /nfs/dbraw/zinc/31/69/05/492316905.db2.gz ASBSKHWDSMHZTP-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641840653 492316908 /nfs/dbraw/zinc/31/69/08/492316908.db2.gz ASBSKHWDSMHZTP-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647569035 492317237 /nfs/dbraw/zinc/31/72/37/492317237.db2.gz ZCODJGUXOINNAX-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627502572 492325706 /nfs/dbraw/zinc/32/57/06/492325706.db2.gz BVWOFGSWFVUXIB-NBOOPKSLSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627502572 492325709 /nfs/dbraw/zinc/32/57/09/492325709.db2.gz BVWOFGSWFVUXIB-NBOOPKSLSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000647596992 492331908 /nfs/dbraw/zinc/33/19/08/492331908.db2.gz CINCZCYTBVBALW-AHCXZYCDSA-N 2 1 358.486 0.819 20 0 FCADMP C[NH+]1CCCN(C(=O)c2cccc(C(=O)N3CCC[N@H+](C)CC3)n2)CC1 ZINC000642255831 492345204 /nfs/dbraw/zinc/34/52/04/492345204.db2.gz DIFRAGAJXKNTSJ-UHFFFAOYSA-N 2 1 359.474 0.637 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000642262560 492346632 /nfs/dbraw/zinc/34/66/32/492346632.db2.gz BFWHTVFCBXIRDX-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000642322083 492350619 /nfs/dbraw/zinc/35/06/19/492350619.db2.gz HLUIGYNJDKPIFN-PBHICJAKSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000642330441 492352293 /nfs/dbraw/zinc/35/22/93/492352293.db2.gz JZGYRIFHHVVPQI-JJTUDDRGSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642330474 492352315 /nfs/dbraw/zinc/35/23/15/492352315.db2.gz LRTJBCNSVDWVOR-GASCZTMLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437817 492357748 /nfs/dbraw/zinc/35/77/48/492357748.db2.gz CHZONMKWGHDVQK-BXUZGUMPSA-N 2 1 372.391 0.859 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000642437817 492357750 /nfs/dbraw/zinc/35/77/50/492357750.db2.gz CHZONMKWGHDVQK-BXUZGUMPSA-N 2 1 372.391 0.859 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703077 492360226 /nfs/dbraw/zinc/36/02/26/492360226.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703077 492360229 /nfs/dbraw/zinc/36/02/29/492360229.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703077 492360232 /nfs/dbraw/zinc/36/02/32/492360232.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 2 1 374.529 0.800 20 0 FCADMP CNC(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634699701 492360725 /nfs/dbraw/zinc/36/07/25/492360725.db2.gz NYQMAIQALKVYHT-FQEVSTJZSA-N 2 1 360.502 0.423 20 0 FCADMP CNC(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634699701 492360728 /nfs/dbraw/zinc/36/07/28/492360728.db2.gz NYQMAIQALKVYHT-FQEVSTJZSA-N 2 1 360.502 0.423 20 0 FCADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709116 492361721 /nfs/dbraw/zinc/36/17/21/492361721.db2.gz DJVFSPWMVHFVEM-QZTJIDSGSA-N 2 1 367.515 0.637 20 0 FCADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709116 492361722 /nfs/dbraw/zinc/36/17/22/492361722.db2.gz DJVFSPWMVHFVEM-QZTJIDSGSA-N 2 1 367.515 0.637 20 0 FCADMP CNS(=O)(=O)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000621261884 492366564 /nfs/dbraw/zinc/36/65/64/492366564.db2.gz HVARCYRLKQRSOL-UHFFFAOYSA-N 2 1 360.568 0.664 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642640153 492368231 /nfs/dbraw/zinc/36/82/31/492368231.db2.gz AULBWZQXZQWDIO-IKGGRYGDSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647832021 492368639 /nfs/dbraw/zinc/36/86/39/492368639.db2.gz SYLWSELGCQXFCD-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642645419 492369741 /nfs/dbraw/zinc/36/97/41/492369741.db2.gz KBSYTBWUJUYBEE-OAGGEKHMSA-N 2 1 354.495 0.332 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642645038 492370281 /nfs/dbraw/zinc/37/02/81/492370281.db2.gz GCSAADZBWIDGIJ-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000642680522 492372495 /nfs/dbraw/zinc/37/24/95/492372495.db2.gz VCBAYOWVMRCFLD-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000642680522 492372497 /nfs/dbraw/zinc/37/24/97/492372497.db2.gz VCBAYOWVMRCFLD-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693250 492374105 /nfs/dbraw/zinc/37/41/05/492374105.db2.gz ASUHIYFOJWXNAS-ZDUSSCGKSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000642693250 492374111 /nfs/dbraw/zinc/37/41/11/492374111.db2.gz ASUHIYFOJWXNAS-ZDUSSCGKSA-N 2 1 364.515 0.951 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729085 492382058 /nfs/dbraw/zinc/38/20/58/492382058.db2.gz DIUOYKZOJSIMRW-NVXWUHKLSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642732201 492382659 /nfs/dbraw/zinc/38/26/59/492382659.db2.gz YEXQVEHDSRCGQA-INIZCTEOSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732658 492382742 /nfs/dbraw/zinc/38/27/42/492382742.db2.gz HZRGEPVIIIZOEF-XUWVNRHRSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732655 492383170 /nfs/dbraw/zinc/38/31/70/492383170.db2.gz HZRGEPVIIIZOEF-FZKCQIBNSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744968 492385335 /nfs/dbraw/zinc/38/53/35/492385335.db2.gz UYZGPKCKXRNFCL-JQHSSLGASA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744968 492385336 /nfs/dbraw/zinc/38/53/36/492385336.db2.gz UYZGPKCKXRNFCL-JQHSSLGASA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759536 492386740 /nfs/dbraw/zinc/38/67/40/492386740.db2.gz LLLDPJOXRNLFHO-NVXWUHKLSA-N 2 1 358.486 0.963 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000642778701 492389209 /nfs/dbraw/zinc/38/92/09/492389209.db2.gz DEBMXSPCGRARMX-JKSUJKDBSA-N 2 1 359.474 0.993 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977116 492390792 /nfs/dbraw/zinc/39/07/92/492390792.db2.gz XYRXXKQNNADJPD-IRXDYDNUSA-N 2 1 350.507 0.827 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC000655018919 492392042 /nfs/dbraw/zinc/39/20/42/492392042.db2.gz LWZRIWOGZKRUAL-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CC[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000621645328 492400202 /nfs/dbraw/zinc/40/02/02/492400202.db2.gz FEVYOUGMTZARIO-QGZVFWFLSA-N 2 1 360.506 0.885 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000642903355 492400248 /nfs/dbraw/zinc/40/02/48/492400248.db2.gz HXFAGIZTNQRSLY-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000642903355 492400249 /nfs/dbraw/zinc/40/02/49/492400249.db2.gz HXFAGIZTNQRSLY-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642908239 492401775 /nfs/dbraw/zinc/40/17/75/492401775.db2.gz MEIHWTYYWFOAPL-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000642910247 492402342 /nfs/dbraw/zinc/40/23/42/492402342.db2.gz BROIFVOSVZIQMQ-UAGQMJEPSA-N 2 1 367.538 0.245 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000642917713 492403314 /nfs/dbraw/zinc/40/33/14/492403314.db2.gz DPPUVQFCWSOUTC-UHFFFAOYSA-N 2 1 374.485 0.598 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000642917713 492403316 /nfs/dbraw/zinc/40/33/16/492403316.db2.gz DPPUVQFCWSOUTC-UHFFFAOYSA-N 2 1 374.485 0.598 20 0 FCADMP O=C(C[NH2+]CC1CC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000648150605 492409047 /nfs/dbraw/zinc/40/90/47/492409047.db2.gz RQTQZVMMGNJDOP-UHFFFAOYSA-N 2 1 366.506 0.063 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccc(F)cc1 ZINC000621845810 492426147 /nfs/dbraw/zinc/42/61/47/492426147.db2.gz PTEOCZKXXRJLHT-KXBFYZLASA-N 2 1 362.449 0.714 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000627980446 492432009 /nfs/dbraw/zinc/43/20/09/492432009.db2.gz IXDWZXFZQVCGCM-GOSISDBHSA-N 2 1 374.485 0.794 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000643233538 492433320 /nfs/dbraw/zinc/43/33/20/492433320.db2.gz VZICBUDFCZGAJN-DLBZAZTESA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000635463340 492452838 /nfs/dbraw/zinc/45/28/38/492452838.db2.gz LBPRNBGOKNLLTR-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000635463340 492452842 /nfs/dbraw/zinc/45/28/42/492452842.db2.gz LBPRNBGOKNLLTR-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000635463340 492452846 /nfs/dbraw/zinc/45/28/46/492452846.db2.gz LBPRNBGOKNLLTR-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552412 492456244 /nfs/dbraw/zinc/45/62/44/492456244.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552412 492456249 /nfs/dbraw/zinc/45/62/49/492456249.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552412 492456251 /nfs/dbraw/zinc/45/62/51/492456251.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552412 492456254 /nfs/dbraw/zinc/45/62/54/492456254.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552412 492456257 /nfs/dbraw/zinc/45/62/57/492456257.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 2 1 367.538 0.301 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655577317 492458873 /nfs/dbraw/zinc/45/88/73/492458873.db2.gz BIDDSKPDIZGQSD-KRWDZBQOSA-N 2 1 366.506 0.651 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000655577317 492458879 /nfs/dbraw/zinc/45/88/79/492458879.db2.gz BIDDSKPDIZGQSD-KRWDZBQOSA-N 2 1 366.506 0.651 20 0 FCADMP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551053 492468509 /nfs/dbraw/zinc/46/85/09/492468509.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 2 1 366.550 0.972 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000643480797 492477106 /nfs/dbraw/zinc/47/71/06/492477106.db2.gz JPPJTPOTVORDED-RBUKOAKNSA-N 2 1 370.497 0.584 20 0 FCADMP NC(=O)CNC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655694432 492477591 /nfs/dbraw/zinc/47/75/91/492477591.db2.gz HEZRAPOSBBXMEP-SFHVURJKSA-N 2 1 374.485 0.635 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000643492449 492480773 /nfs/dbraw/zinc/48/07/73/492480773.db2.gz VTVNAINKQCVHAG-HZPDHXFCSA-N 2 1 357.458 0.249 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000643492447 492480848 /nfs/dbraw/zinc/48/08/48/492480848.db2.gz VTVNAINKQCVHAG-CVEARBPZSA-N 2 1 357.458 0.249 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643494157 492481631 /nfs/dbraw/zinc/48/16/31/492481631.db2.gz MDPXARJHTATZNP-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000643503514 492483796 /nfs/dbraw/zinc/48/37/96/492483796.db2.gz LNUYVVJIFPJITO-GOEBONIOSA-N 2 1 352.479 0.038 20 0 FCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C)CC1 ZINC000635659957 492488021 /nfs/dbraw/zinc/48/80/21/492488021.db2.gz BMGZYSCJRLWPIU-FUHWJXTLSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531756 492490765 /nfs/dbraw/zinc/49/07/65/492490765.db2.gz GHAMHPKMZARPDJ-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643528072 492491488 /nfs/dbraw/zinc/49/14/88/492491488.db2.gz YQTHUDWIWAEMGS-GASCZTMLSA-N 2 1 358.442 0.438 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000643532538 492493122 /nfs/dbraw/zinc/49/31/22/492493122.db2.gz TYPJCXCTJYDZCC-FCGDIQPGSA-N 2 1 370.497 0.882 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000643539494 492493666 /nfs/dbraw/zinc/49/36/66/492493666.db2.gz PGIWLUNDFWZSCC-HZPDHXFCSA-N 2 1 368.522 0.389 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643549936 492498109 /nfs/dbraw/zinc/49/81/09/492498109.db2.gz BVIUXGKLUJQYKL-OXXUSNJHSA-N 2 1 374.460 0.631 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643549857 492498189 /nfs/dbraw/zinc/49/81/89/492498189.db2.gz WRWRUWNUNHJHQV-BURFUSLBSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970269 492499983 /nfs/dbraw/zinc/49/99/83/492499983.db2.gz GTTQZQPHAKHNSP-WCXIOVBPSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970269 492499987 /nfs/dbraw/zinc/49/99/87/492499987.db2.gz GTTQZQPHAKHNSP-WCXIOVBPSA-N 2 1 353.511 0.173 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643590318 492501922 /nfs/dbraw/zinc/50/19/22/492501922.db2.gz OHWVFFNSHNVNBH-NVXWUHKLSA-N 2 1 362.474 0.770 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000649283735 492521296 /nfs/dbraw/zinc/52/12/96/492521296.db2.gz BUDMACRXNBXDMH-MCIONIFRSA-N 2 1 350.467 0.430 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649318517 492530583 /nfs/dbraw/zinc/53/05/83/492530583.db2.gz RGHRKKWFQBMTBD-QGZVFWFLSA-N 2 1 358.486 0.542 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649318516 492531266 /nfs/dbraw/zinc/53/12/66/492531266.db2.gz RGHRKKWFQBMTBD-KRWDZBQOSA-N 2 1 358.486 0.542 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075652 492536780 /nfs/dbraw/zinc/53/67/80/492536780.db2.gz QPDFIAUNIPJBCG-WCXIOVBPSA-N 2 1 368.522 0.399 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)[C@@H](C)C1 ZINC000649340834 492538507 /nfs/dbraw/zinc/53/85/07/492538507.db2.gz YQVZKCQIUQHWIK-NXNVCVFFSA-N 2 1 364.494 0.169 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077854 492538956 /nfs/dbraw/zinc/53/89/56/492538956.db2.gz XRMGFYVKMNAEEW-QUSNUVHPSA-N 2 1 368.522 0.541 20 0 FCADMP COCC(COC)N1CCN(C(=O)CN(C)CCc2ccccc2)CC1 ZINC000636022752 492539743 /nfs/dbraw/zinc/53/97/43/492539743.db2.gz QNMRNFVBXQRHAM-UHFFFAOYSA-N 2 1 363.502 0.967 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000649348996 492542573 /nfs/dbraw/zinc/54/25/73/492542573.db2.gz NKOTURJHTFQVPX-HUUCEWRRSA-N 2 1 352.504 0.389 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC000649352918 492546187 /nfs/dbraw/zinc/54/61/87/492546187.db2.gz UIWWDNBEVKEDOH-KRWDZBQOSA-N 2 1 360.506 0.200 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC000649367826 492548340 /nfs/dbraw/zinc/54/83/40/492548340.db2.gz DHKSCBLJJNCRBT-QZTJIDSGSA-N 2 1 369.473 0.960 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC000649367826 492548342 /nfs/dbraw/zinc/54/83/42/492548342.db2.gz DHKSCBLJJNCRBT-QZTJIDSGSA-N 2 1 369.473 0.960 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000649409782 492550841 /nfs/dbraw/zinc/55/08/41/492550841.db2.gz YKEFUIIFXADDTJ-SFHVURJKSA-N 2 1 359.518 0.466 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000649409782 492550844 /nfs/dbraw/zinc/55/08/44/492550844.db2.gz YKEFUIIFXADDTJ-SFHVURJKSA-N 2 1 359.518 0.466 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000649410668 492552761 /nfs/dbraw/zinc/55/27/61/492552761.db2.gz MONQKLMUMKGPHS-HKUYNNGSSA-N 2 1 360.502 0.687 20 0 FCADMP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000649412836 492552905 /nfs/dbraw/zinc/55/29/05/492552905.db2.gz AYMVZHGGNBGUQQ-KRWDZBQOSA-N 2 1 366.531 0.500 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@@H]2C[NH2+]C[C@H]2OC)nn1 ZINC000643779515 492555979 /nfs/dbraw/zinc/55/59/79/492555979.db2.gz FJSWABXZUZOPJQ-PNBKFKSVSA-N 2 1 362.478 0.065 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCSC1 ZINC000656299370 492576919 /nfs/dbraw/zinc/57/69/19/492576919.db2.gz RGVHJKHMBUNZJP-MPGHIAIKSA-N 2 1 368.547 0.673 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354530 492609077 /nfs/dbraw/zinc/60/90/77/492609077.db2.gz GIMVHQXIYKJHDO-IAGOWNOFSA-N 3 1 367.538 0.071 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656355409 492610550 /nfs/dbraw/zinc/61/05/50/492610550.db2.gz KSSCCSLICIZEHL-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656355409 492610553 /nfs/dbraw/zinc/61/05/53/492610553.db2.gz KSSCCSLICIZEHL-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656355409 492610556 /nfs/dbraw/zinc/61/05/56/492610556.db2.gz KSSCCSLICIZEHL-WCXIOVBPSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656357793 492612252 /nfs/dbraw/zinc/61/22/52/492612252.db2.gz HEPXOBAUTCEEMQ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656357793 492612254 /nfs/dbraw/zinc/61/22/54/492612254.db2.gz HEPXOBAUTCEEMQ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)cn2)CCO1 ZINC000636540512 492615106 /nfs/dbraw/zinc/61/51/06/492615106.db2.gz VVJMODZFOVQLOE-GOEBONIOSA-N 2 1 363.462 0.173 20 0 FCADMP C[C@H]1CN(c2ccc(CNC(=O)NCCN3CC[C@@H](O)C3)cn2)CCO1 ZINC000636540512 492615111 /nfs/dbraw/zinc/61/51/11/492615111.db2.gz VVJMODZFOVQLOE-GOEBONIOSA-N 2 1 363.462 0.173 20 0 FCADMP CC[NH2+]Cc1ccn(Cc2cn(C[C@H]3C[N@@H+](CC(C)C)CCO3)nn2)n1 ZINC000656448153 492623283 /nfs/dbraw/zinc/62/32/83/492623283.db2.gz GXZNLMYILXTZHS-GOSISDBHSA-N 2 1 361.494 0.989 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC000650399928 492638447 /nfs/dbraw/zinc/63/84/47/492638447.db2.gz GKJIDUKDTKHNBT-USTZCAOPSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC000650399928 492638449 /nfs/dbraw/zinc/63/84/49/492638449.db2.gz GKJIDUKDTKHNBT-USTZCAOPSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC000650399928 492638452 /nfs/dbraw/zinc/63/84/52/492638452.db2.gz GKJIDUKDTKHNBT-USTZCAOPSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636632968 492645012 /nfs/dbraw/zinc/64/50/12/492645012.db2.gz HQNQYYNCDZLFCI-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636632968 492645016 /nfs/dbraw/zinc/64/50/16/492645016.db2.gz HQNQYYNCDZLFCI-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000636632968 492645019 /nfs/dbraw/zinc/64/50/19/492645019.db2.gz HQNQYYNCDZLFCI-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563485 492645409 /nfs/dbraw/zinc/64/54/09/492645409.db2.gz QXXYBSWZBNPQHO-MJBXVCDLSA-N 2 1 350.429 0.998 20 0 FCADMP O=C(C1CCCCC1)N1CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629569172 492647923 /nfs/dbraw/zinc/64/79/23/492647923.db2.gz WGHRBJRJOFFGDW-LJQANCHMSA-N 2 1 366.550 0.757 20 0 FCADMP O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629573595 492650801 /nfs/dbraw/zinc/65/08/01/492650801.db2.gz JSYGLCJUQLMQAQ-KRWDZBQOSA-N 2 1 353.488 0.773 20 0 FCADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+](C)CCOCC[NH3+] ZINC000629579045 492655447 /nfs/dbraw/zinc/65/54/47/492655447.db2.gz IGPMRXZSWVQUQX-CQSZACIVSA-N 2 1 351.447 0.412 20 0 FCADMP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629579483 492656453 /nfs/dbraw/zinc/65/64/53/492656453.db2.gz DJYQYDLIFBHMGF-FQEVSTJZSA-N 3 1 374.529 0.930 20 0 FCADMP C[N@H+]1CCCC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000624615018 492667017 /nfs/dbraw/zinc/66/70/17/492667017.db2.gz JJRSNJXEKCPCJB-QGZVFWFLSA-N 2 1 365.522 0.668 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)CCCC2)CC1 ZINC000636748760 492681148 /nfs/dbraw/zinc/68/11/48/492681148.db2.gz BRMRNQAFXQLKRM-INIZCTEOSA-N 2 1 368.522 0.776 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624787025 492684275 /nfs/dbraw/zinc/68/42/75/492684275.db2.gz OLALZXBITBMCMD-HOCLYGCPSA-N 2 1 351.495 0.765 20 0 FCADMP CN(C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793816 492695194 /nfs/dbraw/zinc/69/51/94/492695194.db2.gz GZKWEINQQKVCJG-DOMZBBRYSA-N 2 1 356.417 0.933 20 0 FCADMP CN(C)[C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793816 492695196 /nfs/dbraw/zinc/69/51/96/492695196.db2.gz GZKWEINQQKVCJG-DOMZBBRYSA-N 2 1 356.417 0.933 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)nc(C)[nH+]1 ZINC000636896286 492723727 /nfs/dbraw/zinc/72/37/27/492723727.db2.gz JJWAGEBLSVREQT-INIZCTEOSA-N 2 1 362.478 0.428 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)nc(C)[nH+]1 ZINC000636896286 492723729 /nfs/dbraw/zinc/72/37/29/492723729.db2.gz JJWAGEBLSVREQT-INIZCTEOSA-N 2 1 362.478 0.428 20 0 FCADMP CCN1C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000651317228 492741749 /nfs/dbraw/zinc/74/17/49/492741749.db2.gz GQEKPYFKOVXHMJ-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000630796082 492775450 /nfs/dbraw/zinc/77/54/50/492775450.db2.gz LDQXATYRVHOFIR-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000630796082 492775456 /nfs/dbraw/zinc/77/54/56/492775456.db2.gz LDQXATYRVHOFIR-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000630796082 492775462 /nfs/dbraw/zinc/77/54/62/492775462.db2.gz LDQXATYRVHOFIR-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000644533274 492782638 /nfs/dbraw/zinc/78/26/38/492782638.db2.gz SASHQXFMLFOOJN-GOSISDBHSA-N 2 1 369.531 0.741 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000644533274 492782640 /nfs/dbraw/zinc/78/26/40/492782640.db2.gz SASHQXFMLFOOJN-GOSISDBHSA-N 2 1 369.531 0.741 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196439 492803313 /nfs/dbraw/zinc/80/33/13/492803313.db2.gz RPXUIEHEXGQRCU-WBVHZDCISA-N 2 1 356.470 0.942 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870637 492806222 /nfs/dbraw/zinc/80/62/22/492806222.db2.gz OWCDFNYTTSKBDC-KRWDZBQOSA-N 2 1 373.501 0.921 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657874497 492808669 /nfs/dbraw/zinc/80/86/69/492808669.db2.gz WZZLOJUGGAHVAT-INIZCTEOSA-N 2 1 359.474 0.673 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000631562418 492824498 /nfs/dbraw/zinc/82/44/98/492824498.db2.gz DQYVNVQLNFKVPD-FQEVSTJZSA-N 2 1 371.485 0.812 20 0 FCADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651865586 492837602 /nfs/dbraw/zinc/83/76/02/492837602.db2.gz XMNMZDGYSOIZLZ-HNNXBMFYSA-N 2 1 350.467 0.326 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651865586 492837607 /nfs/dbraw/zinc/83/76/07/492837607.db2.gz XMNMZDGYSOIZLZ-HNNXBMFYSA-N 2 1 350.467 0.326 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000631767947 492850542 /nfs/dbraw/zinc/85/05/42/492850542.db2.gz YEDSQCRPUACKCM-UHFFFAOYSA-N 2 1 355.504 0.890 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637664665 492856791 /nfs/dbraw/zinc/85/67/91/492856791.db2.gz SLBSJAVQRTXKHR-CQSZACIVSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637664665 492856794 /nfs/dbraw/zinc/85/67/94/492856794.db2.gz SLBSJAVQRTXKHR-CQSZACIVSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844997 492861303 /nfs/dbraw/zinc/86/13/03/492861303.db2.gz RDGWWXGPLOARGU-RDTXWAMCSA-N 2 1 354.458 0.957 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000637952809 492884145 /nfs/dbraw/zinc/88/41/45/492884145.db2.gz LPBAVWMRSAVPJE-ZFWWWQNUSA-N 2 1 367.412 0.867 20 0 FCADMP CCCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645296017 492889315 /nfs/dbraw/zinc/88/93/15/492889315.db2.gz CBRNNHJWFQOQJK-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000645296017 492889318 /nfs/dbraw/zinc/88/93/18/492889318.db2.gz CBRNNHJWFQOQJK-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CCCN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000645296017 492889322 /nfs/dbraw/zinc/88/93/22/492889322.db2.gz CBRNNHJWFQOQJK-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652200602 492894458 /nfs/dbraw/zinc/89/44/58/492894458.db2.gz CMHOMLHJFIVMMN-IBGZPJMESA-N 2 1 359.518 0.850 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652200602 492894461 /nfs/dbraw/zinc/89/44/61/492894461.db2.gz CMHOMLHJFIVMMN-IBGZPJMESA-N 2 1 359.518 0.850 20 0 FCADMP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000638071334 492899602 /nfs/dbraw/zinc/89/96/02/492899602.db2.gz HPVUARSPAFIQAJ-LBPRGKRZSA-N 2 1 354.405 0.918 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000638072322 492900061 /nfs/dbraw/zinc/90/00/61/492900061.db2.gz QPISNSAZCUHJAE-FRQCXROJSA-N 2 1 360.458 0.842 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000638072322 492900064 /nfs/dbraw/zinc/90/00/64/492900064.db2.gz QPISNSAZCUHJAE-FRQCXROJSA-N 2 1 360.458 0.842 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000638099072 492904431 /nfs/dbraw/zinc/90/44/31/492904431.db2.gz FHAZIJXRKIESGL-UHFFFAOYSA-N 2 1 359.518 0.168 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000652390336 492922544 /nfs/dbraw/zinc/92/25/44/492922544.db2.gz JKJNKJNYNYEXPJ-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632126882 492935312 /nfs/dbraw/zinc/93/53/12/492935312.db2.gz FZTNNIHXNKCYRT-GOSISDBHSA-N 2 1 374.595 0.911 20 0 FCADMP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000632160822 492940709 /nfs/dbraw/zinc/94/07/09/492940709.db2.gz LEQLKBPHDPKQGX-QZTJIDSGSA-N 2 1 372.579 0.760 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccc(S(N)(=O)=O)cc1 ZINC000638480832 492952755 /nfs/dbraw/zinc/95/27/55/492952755.db2.gz BBNPOKLVAHBURE-INIZCTEOSA-N 2 1 368.503 0.366 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000632280316 492963269 /nfs/dbraw/zinc/96/32/69/492963269.db2.gz YPCSNTCOVSDDAV-QGZVFWFLSA-N 2 1 358.552 0.560 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786895 492974949 /nfs/dbraw/zinc/97/49/49/492974949.db2.gz IDWGFJFOAFNNEB-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000645781530 492975198 /nfs/dbraw/zinc/97/51/98/492975198.db2.gz VWVRLQIQYRBTPS-MAUKXSAKSA-N 2 1 358.486 0.808 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658613562 492981068 /nfs/dbraw/zinc/98/10/68/492981068.db2.gz MTMILPFHZXGNLA-IAGOWNOFSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658613562 492981072 /nfs/dbraw/zinc/98/10/72/492981072.db2.gz MTMILPFHZXGNLA-IAGOWNOFSA-N 2 1 368.522 0.354 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903949 492985780 /nfs/dbraw/zinc/98/57/80/492985780.db2.gz JGDQJSSBMOPPAU-SJLPKXTDSA-N 2 1 369.473 0.817 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)C1 ZINC000652677315 492986653 /nfs/dbraw/zinc/98/66/53/492986653.db2.gz XRPQTSHSPZDFDY-ANQUJSFKSA-N 2 1 364.490 0.084 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000645925619 492987420 /nfs/dbraw/zinc/98/74/20/492987420.db2.gz GQEJYKYHGCMWLK-UHFFFAOYSA-N 2 1 373.501 0.835 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652680924 492987985 /nfs/dbraw/zinc/98/79/85/492987985.db2.gz VIOPHWIOPUBSFK-BBWFWOEESA-N 2 1 368.522 0.579 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000645925738 492988655 /nfs/dbraw/zinc/98/86/55/492988655.db2.gz NUFYOXOAGHUSAC-UHFFFAOYSA-N 2 1 361.490 0.820 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693220 492991881 /nfs/dbraw/zinc/99/18/81/492991881.db2.gz PPEBSOJPAZSLQL-ULQDDVLXSA-N 2 1 368.522 0.579 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652694539 492992712 /nfs/dbraw/zinc/99/27/12/492992712.db2.gz AFCBZIFIKORESE-SFHVURJKSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652694539 492992715 /nfs/dbraw/zinc/99/27/15/492992715.db2.gz AFCBZIFIKORESE-SFHVURJKSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000652697533 492992838 /nfs/dbraw/zinc/99/28/38/492992838.db2.gz HIYPQINQQFIPPA-BZUAXINKSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652697533 492992840 /nfs/dbraw/zinc/99/28/40/492992840.db2.gz HIYPQINQQFIPPA-BZUAXINKSA-N 2 1 358.486 0.832 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003163 492998810 /nfs/dbraw/zinc/99/88/10/492998810.db2.gz VCVINLINPWAVDG-QZTJIDSGSA-N 2 1 360.506 0.660 20 0 FCADMP Cc1nc(CN2CCN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000639547476 493018854 /nfs/dbraw/zinc/01/88/54/493018854.db2.gz WLCMPGICUFYXII-FQEVSTJZSA-N 2 1 370.501 0.868 20 0 FCADMP Cc1nc(CN2CCN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000639547476 493018856 /nfs/dbraw/zinc/01/88/56/493018856.db2.gz WLCMPGICUFYXII-FQEVSTJZSA-N 2 1 370.501 0.868 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000632539429 493024533 /nfs/dbraw/zinc/02/45/33/493024533.db2.gz HNHJEKAVZVNPQF-DLBZAZTESA-N 2 1 358.552 0.560 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646223263 493030252 /nfs/dbraw/zinc/03/02/52/493030252.db2.gz FKQAUAOITKMZNJ-RBUKOAKNSA-N 2 1 360.502 0.548 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000626922257 493063809 /nfs/dbraw/zinc/06/38/09/493063809.db2.gz SPEZTZRCIXALPK-HNNXBMFYSA-N 2 1 369.535 0.653 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000653112200 493071883 /nfs/dbraw/zinc/07/18/83/493071883.db2.gz PUAJZDBNGAANGA-QGZVFWFLSA-N 2 1 361.490 0.221 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115087 493073183 /nfs/dbraw/zinc/07/31/83/493073183.db2.gz CBHFQZBVPFIANI-WBVHZDCISA-N 2 1 361.490 0.601 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000653117884 493073806 /nfs/dbraw/zinc/07/38/06/493073806.db2.gz YLBMQWYWVWGRAR-IBGZPJMESA-N 2 1 361.534 0.542 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626980307 493074137 /nfs/dbraw/zinc/07/41/37/493074137.db2.gz QNTRRZPSQBGULB-IAGOWNOFSA-N 2 1 353.511 0.032 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627019901 493081654 /nfs/dbraw/zinc/08/16/54/493081654.db2.gz UPGNXSXZJRPEGA-IAGOWNOFSA-N 2 1 364.515 0.892 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627019901 493081661 /nfs/dbraw/zinc/08/16/61/493081661.db2.gz UPGNXSXZJRPEGA-IAGOWNOFSA-N 2 1 364.515 0.892 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[C@@H]1C(F)(F)F ZINC000627044511 493084870 /nfs/dbraw/zinc/08/48/70/493084870.db2.gz NEJGPHAWGLEIBI-OLZOCXBDSA-N 2 1 352.401 0.877 20 0 FCADMP C[N@@H+]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H](Cc2ccccc2)C1 ZINC000653254035 493086124 /nfs/dbraw/zinc/08/61/24/493086124.db2.gz GQBWBUXSKDKTAS-ROUUACIJSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H](Cc2ccccc2)C1 ZINC000653254035 493086127 /nfs/dbraw/zinc/08/61/27/493086127.db2.gz GQBWBUXSKDKTAS-ROUUACIJSA-N 2 1 358.486 0.712 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000633033033 493107206 /nfs/dbraw/zinc/10/72/06/493107206.db2.gz FURXGGBTZBQXBK-OLMNPRSZSA-N 2 1 372.469 0.981 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000633104667 493128001 /nfs/dbraw/zinc/12/80/01/493128001.db2.gz HCSJRYLXBFIQBB-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000633104667 493128005 /nfs/dbraw/zinc/12/80/05/493128005.db2.gz HCSJRYLXBFIQBB-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000633104667 493128006 /nfs/dbraw/zinc/12/80/06/493128006.db2.gz HCSJRYLXBFIQBB-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000633117755 493133108 /nfs/dbraw/zinc/13/31/08/493133108.db2.gz FZMJRGKNUIBECO-NJAFHUGGSA-N 2 1 358.486 0.710 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000633117754 493133300 /nfs/dbraw/zinc/13/33/00/493133300.db2.gz FZMJRGKNUIBECO-KBAYOESNSA-N 2 1 358.486 0.710 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000627296981 493139251 /nfs/dbraw/zinc/13/92/51/493139251.db2.gz YUVHDTUCZOQSRE-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627303121 493142310 /nfs/dbraw/zinc/14/23/10/493142310.db2.gz HYHBEAWIHRVILG-QZTJIDSGSA-N 2 1 374.485 0.119 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000627305010 493143370 /nfs/dbraw/zinc/14/33/70/493143370.db2.gz LJDYWHOHZBYVRZ-YVECIDJPSA-N 2 1 364.412 0.571 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312230 493146679 /nfs/dbraw/zinc/14/66/79/493146679.db2.gz TVYVPSASFXOCTF-WBVHZDCISA-N 2 1 362.474 0.372 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640908019 493148259 /nfs/dbraw/zinc/14/82/59/493148259.db2.gz DWNYVZVCDIABJO-CQSZACIVSA-N 2 1 352.483 0.348 20 0 FCADMP CCOCCCNC(=O)[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640908014 493148720 /nfs/dbraw/zinc/14/87/20/493148720.db2.gz DWNYVZVCDIABJO-AWEZNQCLSA-N 2 1 352.483 0.348 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659095311 493149719 /nfs/dbraw/zinc/14/97/19/493149719.db2.gz BOURKCSBZIYYTA-ZIAGYGMSSA-N 2 1 359.474 0.825 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091853 493162325 /nfs/dbraw/zinc/16/23/25/493162325.db2.gz QUKDIIDFQWCOBO-YESZJQIVSA-N 2 1 363.506 0.608 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)Cn2cc(CC[NH3+])nn2)CC1 ZINC000641030511 493162950 /nfs/dbraw/zinc/16/29/50/493162950.db2.gz XUPKMWGAGPVUQI-UHFFFAOYSA-N 2 1 356.474 0.822 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627346363 493166059 /nfs/dbraw/zinc/16/60/59/493166059.db2.gz OIDHBISCFOQPEV-VXGBXAGGSA-N 2 1 361.368 0.293 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000627357619 493174011 /nfs/dbraw/zinc/17/40/11/493174011.db2.gz LCJXMQGDOPNWNB-QZTJIDSGSA-N 2 1 374.485 0.044 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cn1 ZINC000633642635 493175488 /nfs/dbraw/zinc/17/54/88/493175488.db2.gz ZZOQOADYDMHLOF-IAGOWNOFSA-N 2 1 361.490 0.818 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659434999 493175745 /nfs/dbraw/zinc/17/57/45/493175745.db2.gz TZSYNWGWMFMLNQ-QZTJIDSGSA-N 2 1 373.501 0.595 20 0 FCADMP c1c(CN2CC[NH2+]CC2)nnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641181436 493176862 /nfs/dbraw/zinc/17/68/62/493176862.db2.gz ZIPYSLGFIORVPH-UHFFFAOYSA-N 2 1 356.474 0.564 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627365081 493180333 /nfs/dbraw/zinc/18/03/33/493180333.db2.gz FFQWCWVMALPWID-WCQYABFASA-N 2 1 364.412 0.573 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659451497 493181861 /nfs/dbraw/zinc/18/18/61/493181861.db2.gz FMJKIKPXFDTUTD-PBHICJAKSA-N 2 1 361.490 0.791 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627402217 493204345 /nfs/dbraw/zinc/20/43/45/493204345.db2.gz XRTYFMBVKSEZSU-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627402217 493204350 /nfs/dbraw/zinc/20/43/50/493204350.db2.gz XRTYFMBVKSEZSU-ROUUACIJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672573468 493208734 /nfs/dbraw/zinc/20/87/34/493208734.db2.gz QRKCULZVYDMQBG-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672573468 493208735 /nfs/dbraw/zinc/20/87/35/493208735.db2.gz QRKCULZVYDMQBG-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000659568470 493213320 /nfs/dbraw/zinc/21/33/20/493213320.db2.gz GWQKYEAVVCEEAJ-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659611979 493220700 /nfs/dbraw/zinc/22/07/00/493220700.db2.gz UVMIHAGXESCJQO-IKGGRYGDSA-N 2 1 365.522 0.761 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000666924833 493237766 /nfs/dbraw/zinc/23/77/66/493237766.db2.gz MBERRTQUPJMIGP-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000666924833 493237768 /nfs/dbraw/zinc/23/77/68/493237768.db2.gz MBERRTQUPJMIGP-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000666924833 493237770 /nfs/dbraw/zinc/23/77/70/493237770.db2.gz MBERRTQUPJMIGP-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC[N@H+]1C ZINC000659678411 493247489 /nfs/dbraw/zinc/24/74/89/493247489.db2.gz MDUHPLNMBXYWLB-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000667060360 493255926 /nfs/dbraw/zinc/25/59/26/493255926.db2.gz OOEVAELJLJQCPU-ZDUSSCGKSA-N 2 1 369.491 0.482 20 0 FCADMP C[C@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000667060360 493255929 /nfs/dbraw/zinc/25/59/29/493255929.db2.gz OOEVAELJLJQCPU-ZDUSSCGKSA-N 2 1 369.491 0.482 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854797 493259027 /nfs/dbraw/zinc/25/90/27/493259027.db2.gz KWXQBURMNOILTM-MRXNPFEDSA-N 2 1 367.538 0.118 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@H+]1CCO ZINC000672957660 493270479 /nfs/dbraw/zinc/27/04/79/493270479.db2.gz UTIDFMUHXJDFRD-IRXDYDNUSA-N 2 1 368.522 0.462 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000659733854 493278179 /nfs/dbraw/zinc/27/81/79/493278179.db2.gz XJFSVVVGUCZRFU-HDICACEKSA-N 2 1 370.497 0.965 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000659735036 493278694 /nfs/dbraw/zinc/27/86/94/493278694.db2.gz CITSUUIHWWZHSS-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1cncc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000682229122 493280998 /nfs/dbraw/zinc/28/09/98/493280998.db2.gz JTRNWUBCDRPIMH-KRWDZBQOSA-N 2 1 359.474 0.955 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660121250 493327274 /nfs/dbraw/zinc/32/72/74/493327274.db2.gz BAMYUGIZPKVEPN-QGZVFWFLSA-N 2 1 359.474 0.529 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660121250 493327276 /nfs/dbraw/zinc/32/72/76/493327276.db2.gz BAMYUGIZPKVEPN-QGZVFWFLSA-N 2 1 359.474 0.529 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660133547 493329076 /nfs/dbraw/zinc/32/90/76/493329076.db2.gz ZLMLOOHBQQCHKE-SFHVURJKSA-N 2 1 367.515 0.903 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660133547 493329079 /nfs/dbraw/zinc/32/90/79/493329079.db2.gz ZLMLOOHBQQCHKE-SFHVURJKSA-N 2 1 367.515 0.903 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000668526238 493371191 /nfs/dbraw/zinc/37/11/91/493371191.db2.gz BQXKZIIPNZGZRU-DYVFJYSZSA-N 2 1 356.536 0.529 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668548018 493374219 /nfs/dbraw/zinc/37/42/19/493374219.db2.gz DFWIQYPRCJBVSH-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668548836 493374987 /nfs/dbraw/zinc/37/49/87/493374987.db2.gz PONPXMVGSXGZSO-QGZVFWFLSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1C1CC1 ZINC000683870196 493375660 /nfs/dbraw/zinc/37/56/60/493375660.db2.gz DUODDMBHRSQBBA-KGLIPLIRSA-N 2 1 374.489 0.830 20 0 FCADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000683877994 493376014 /nfs/dbraw/zinc/37/60/14/493376014.db2.gz YDYRICJSYDMWJW-IYBDPMFKSA-N 2 1 374.485 0.976 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000668584451 493379453 /nfs/dbraw/zinc/37/94/53/493379453.db2.gz CULXDOTYPZZEPT-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668585542 493380306 /nfs/dbraw/zinc/38/03/06/493380306.db2.gz PPDZMJIJHARBRY-IKGGRYGDSA-N 2 1 364.490 0.099 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660864237 493389101 /nfs/dbraw/zinc/38/91/01/493389101.db2.gz LXWMCYOBNBFBOL-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660864237 493389105 /nfs/dbraw/zinc/38/91/05/493389105.db2.gz LXWMCYOBNBFBOL-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660864237 493389108 /nfs/dbraw/zinc/38/91/08/493389108.db2.gz LXWMCYOBNBFBOL-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000668728080 493402361 /nfs/dbraw/zinc/40/23/61/493402361.db2.gz KTDGOFHYQAMPJM-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668777298 493408815 /nfs/dbraw/zinc/40/88/15/493408815.db2.gz USJRVBBIALVYSU-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827076 493416957 /nfs/dbraw/zinc/41/69/57/493416957.db2.gz PPTQCVCSJGFEAX-WBVHZDCISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000668894052 493430017 /nfs/dbraw/zinc/43/00/17/493430017.db2.gz UMPWLAIDRQLVNX-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000668894052 493430019 /nfs/dbraw/zinc/43/00/19/493430019.db2.gz UMPWLAIDRQLVNX-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894052 493430021 /nfs/dbraw/zinc/43/00/21/493430021.db2.gz UMPWLAIDRQLVNX-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894052 493430023 /nfs/dbraw/zinc/43/00/23/493430023.db2.gz UMPWLAIDRQLVNX-BPQIPLTHSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306593 493473514 /nfs/dbraw/zinc/47/35/14/493473514.db2.gz GXJSTRIOCWUWLQ-PBHICJAKSA-N 2 1 357.458 0.329 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685337178 493478739 /nfs/dbraw/zinc/47/87/39/493478739.db2.gz DQFAEFTXTCODRO-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685337178 493478743 /nfs/dbraw/zinc/47/87/43/493478743.db2.gz DQFAEFTXTCODRO-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000685341466 493480635 /nfs/dbraw/zinc/48/06/35/493480635.db2.gz DITIDUQBDOPHJT-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000685341466 493480638 /nfs/dbraw/zinc/48/06/38/493480638.db2.gz DITIDUQBDOPHJT-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685341466 493480639 /nfs/dbraw/zinc/48/06/39/493480639.db2.gz DITIDUQBDOPHJT-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685341466 493480642 /nfs/dbraw/zinc/48/06/42/493480642.db2.gz DITIDUQBDOPHJT-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)CN3CC[NH+](C)CC3)nc2)CC1 ZINC000675665501 493497378 /nfs/dbraw/zinc/49/73/78/493497378.db2.gz AYKBLCUFHFVAIM-UHFFFAOYSA-N 2 1 360.506 0.798 20 0 FCADMP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260428 493500541 /nfs/dbraw/zinc/50/05/41/493500541.db2.gz LGSYBFGMAVWJFS-IAGOWNOFSA-N 2 1 350.507 0.526 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685520297 493501147 /nfs/dbraw/zinc/50/11/47/493501147.db2.gz BTBFFMVCADNXAV-QGZVFWFLSA-N 2 1 373.501 0.967 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285376 493502793 /nfs/dbraw/zinc/50/27/93/493502793.db2.gz DXWCZMCIHYRQHS-UHFFFAOYSA-N 2 1 357.476 0.020 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295937 493504322 /nfs/dbraw/zinc/50/43/22/493504322.db2.gz JDTWGECYOIRWKI-QAPCUYQASA-N 2 1 350.507 0.777 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000662296753 493504712 /nfs/dbraw/zinc/50/47/12/493504712.db2.gz MZMWYEULZQUNEK-SFHVURJKSA-N 2 1 362.518 0.779 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000685595113 493504836 /nfs/dbraw/zinc/50/48/36/493504836.db2.gz FUMHGMUHVBRMOT-ZWKOTPCHSA-N 2 1 369.531 0.883 20 0 FCADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000685595113 493504839 /nfs/dbraw/zinc/50/48/39/493504839.db2.gz FUMHGMUHVBRMOT-ZWKOTPCHSA-N 2 1 369.531 0.883 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486423 493506900 /nfs/dbraw/zinc/50/69/00/493506900.db2.gz DPJUTPIWCJLJTO-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491348 493507345 /nfs/dbraw/zinc/50/73/45/493507345.db2.gz WGOGLINCBAKEGJ-IAGOWNOFSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669488038 493507365 /nfs/dbraw/zinc/50/73/65/493507365.db2.gz DRQGLXMPZZEOBJ-KURKYZTESA-N 2 1 372.517 0.986 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000669529762 493508974 /nfs/dbraw/zinc/50/89/74/493508974.db2.gz BISXQBQDKXPTLX-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cnnn1C1CC[NH2+]CC1 ZINC000662377668 493510911 /nfs/dbraw/zinc/51/09/11/493510911.db2.gz MYOGTNGMWUHBKY-UHFFFAOYSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cnnn1C1CC[NH2+]CC1 ZINC000662377668 493510914 /nfs/dbraw/zinc/51/09/14/493510914.db2.gz MYOGTNGMWUHBKY-UHFFFAOYSA-N 2 1 354.458 0.991 20 0 FCADMP CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675898688 493510904 /nfs/dbraw/zinc/51/09/04/493510904.db2.gz XBPOIIAKWXOYHY-GOSISDBHSA-N 2 1 367.515 0.637 20 0 FCADMP CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675898688 493510907 /nfs/dbraw/zinc/51/09/07/493510907.db2.gz XBPOIIAKWXOYHY-GOSISDBHSA-N 2 1 367.515 0.637 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)[C@H](c2ccccc2)C1 ZINC000662382884 493511110 /nfs/dbraw/zinc/51/11/10/493511110.db2.gz CYGSERJGQYHXJK-SFHVURJKSA-N 2 1 371.489 0.345 20 0 FCADMP CN1CC[N@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)[C@H](c2ccccc2)C1 ZINC000662382884 493511111 /nfs/dbraw/zinc/51/11/11/493511111.db2.gz CYGSERJGQYHXJK-SFHVURJKSA-N 2 1 371.489 0.345 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)c2cn(CC[NH3+])nn2)[C@H](c2ccccc2)C1 ZINC000662382884 493511113 /nfs/dbraw/zinc/51/11/13/493511113.db2.gz CYGSERJGQYHXJK-SFHVURJKSA-N 2 1 371.489 0.345 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000662486598 493520514 /nfs/dbraw/zinc/52/05/14/493520514.db2.gz YHTOWLFAXVSLLY-UHFFFAOYSA-N 2 1 371.445 0.955 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000662529203 493524096 /nfs/dbraw/zinc/52/40/96/493524096.db2.gz RGJONNDUUHICAE-ZIAGYGMSSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000662529203 493524097 /nfs/dbraw/zinc/52/40/97/493524097.db2.gz RGJONNDUUHICAE-ZIAGYGMSSA-N 2 1 350.467 0.120 20 0 FCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662534448 493524484 /nfs/dbraw/zinc/52/44/84/493524484.db2.gz HJUBPUWEZRPGIM-QWHCGFSZSA-N 2 1 353.385 0.463 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH2+]CC1 ZINC000662704977 493533067 /nfs/dbraw/zinc/53/30/67/493533067.db2.gz KNVSOZUKICBNQY-HZPDHXFCSA-N 2 1 350.507 0.430 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702431 493533080 /nfs/dbraw/zinc/53/30/80/493533080.db2.gz AAGNWSXCLQYIOJ-XHDPSFHLSA-N 2 1 354.401 0.668 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702431 493533083 /nfs/dbraw/zinc/53/30/83/493533083.db2.gz AAGNWSXCLQYIOJ-XHDPSFHLSA-N 2 1 354.401 0.668 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)C1 ZINC000662717599 493534383 /nfs/dbraw/zinc/53/43/83/493534383.db2.gz PVSCSVCSUUJTEV-BZSNNMDCSA-N 2 1 374.485 0.364 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676246721 493534451 /nfs/dbraw/zinc/53/44/51/493534451.db2.gz WHQYREBHNXOTDJ-GDBMZVCRSA-N 2 1 356.511 0.894 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246721 493534452 /nfs/dbraw/zinc/53/44/52/493534452.db2.gz WHQYREBHNXOTDJ-GDBMZVCRSA-N 2 1 356.511 0.894 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000662722725 493535004 /nfs/dbraw/zinc/53/50/04/493535004.db2.gz ICUXVACXKSAGKN-OAGGEKHMSA-N 2 1 364.494 0.510 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1C[C@@H](C)O ZINC000662722725 493535007 /nfs/dbraw/zinc/53/50/07/493535007.db2.gz ICUXVACXKSAGKN-OAGGEKHMSA-N 2 1 364.494 0.510 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662726538 493535330 /nfs/dbraw/zinc/53/53/30/493535330.db2.gz JVRQNVJDZHDKEP-AWEZNQCLSA-N 2 1 350.385 0.197 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662753133 493538574 /nfs/dbraw/zinc/53/85/74/493538574.db2.gz NTLFQYBHHFVMCR-ZWKOTPCHSA-N 2 1 374.485 0.696 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755541 493539303 /nfs/dbraw/zinc/53/93/03/493539303.db2.gz CYWZHUSVPFWKAC-QRVBRYPASA-N 2 1 360.502 0.845 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755541 493539306 /nfs/dbraw/zinc/53/93/06/493539306.db2.gz CYWZHUSVPFWKAC-QRVBRYPASA-N 2 1 360.502 0.845 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755541 493539308 /nfs/dbraw/zinc/53/93/08/493539308.db2.gz CYWZHUSVPFWKAC-QRVBRYPASA-N 2 1 360.502 0.845 20 0 FCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662758783 493539859 /nfs/dbraw/zinc/53/98/59/493539859.db2.gz TUJDNNADCIZWAU-RTBURBONSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000662775327 493541001 /nfs/dbraw/zinc/54/10/01/493541001.db2.gz XLRWRPGKQCXONA-RDJZCZTQSA-N 2 1 355.446 0.774 20 0 FCADMP CS(=O)(=O)C1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000662877153 493548544 /nfs/dbraw/zinc/54/85/44/493548544.db2.gz FWRGUVIYOUYGBS-AWEZNQCLSA-N 2 1 357.520 0.676 20 0 FCADMP CS(=O)(=O)C1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000662877153 493548546 /nfs/dbraw/zinc/54/85/46/493548546.db2.gz FWRGUVIYOUYGBS-AWEZNQCLSA-N 2 1 357.520 0.676 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899142 493550227 /nfs/dbraw/zinc/55/02/27/493550227.db2.gz BXDLGWOZWFSPSQ-GDBMZVCRSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899142 493550228 /nfs/dbraw/zinc/55/02/28/493550228.db2.gz BXDLGWOZWFSPSQ-GDBMZVCRSA-N 2 1 360.506 0.727 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662939634 493556734 /nfs/dbraw/zinc/55/67/34/493556734.db2.gz BNADJVCNKHLSIG-UHFFFAOYSA-N 2 1 370.538 0.779 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)[C@@H]2C1 ZINC000662944040 493558562 /nfs/dbraw/zinc/55/85/62/493558562.db2.gz HSOWQYLLYJUAOY-KZNAEPCWSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000662984430 493564065 /nfs/dbraw/zinc/56/40/65/493564065.db2.gz QWNJLVMTWIJXPL-CVEARBPZSA-N 2 1 368.522 0.389 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000670509457 493576220 /nfs/dbraw/zinc/57/62/20/493576220.db2.gz BYJVOVXMTBPOKM-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000670525802 493576454 /nfs/dbraw/zinc/57/64/54/493576454.db2.gz USRXPHFOGQLJEX-GJZGRUSLSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000670545884 493579142 /nfs/dbraw/zinc/57/91/42/493579142.db2.gz JNCVFESBZWNYKV-UXLLHSPISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000670545884 493579144 /nfs/dbraw/zinc/57/91/44/493579144.db2.gz JNCVFESBZWNYKV-UXLLHSPISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000670545882 493579236 /nfs/dbraw/zinc/57/92/36/493579236.db2.gz JNCVFESBZWNYKV-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000670545882 493579239 /nfs/dbraw/zinc/57/92/39/493579239.db2.gz JNCVFESBZWNYKV-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670572892 493580254 /nfs/dbraw/zinc/58/02/54/493580254.db2.gz OAPHJHKAJHEJET-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670572892 493580256 /nfs/dbraw/zinc/58/02/56/493580256.db2.gz OAPHJHKAJHEJET-CABCVRRESA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670663337 493585954 /nfs/dbraw/zinc/58/59/54/493585954.db2.gz RJIQGDRDNDJAMY-JKSUJKDBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670663337 493585956 /nfs/dbraw/zinc/58/59/56/493585956.db2.gz RJIQGDRDNDJAMY-JKSUJKDBSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663558266 493598315 /nfs/dbraw/zinc/59/83/15/493598315.db2.gz NFDREXFONSOLGU-QGZVFWFLSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663558266 493598318 /nfs/dbraw/zinc/59/83/18/493598318.db2.gz NFDREXFONSOLGU-QGZVFWFLSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663558266 493598319 /nfs/dbraw/zinc/59/83/19/493598319.db2.gz NFDREXFONSOLGU-QGZVFWFLSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663558265 493598371 /nfs/dbraw/zinc/59/83/71/493598371.db2.gz NFDREXFONSOLGU-KRWDZBQOSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663558265 493598374 /nfs/dbraw/zinc/59/83/74/493598374.db2.gz NFDREXFONSOLGU-KRWDZBQOSA-N 2 1 367.538 0.253 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663558265 493598375 /nfs/dbraw/zinc/59/83/75/493598375.db2.gz NFDREXFONSOLGU-KRWDZBQOSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000670984503 493619504 /nfs/dbraw/zinc/61/95/04/493619504.db2.gz MYDYFULBNYEHSG-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000677874790 493620535 /nfs/dbraw/zinc/62/05/35/493620535.db2.gz DLKFOLFWCBBNKL-CABCVRRESA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000677874790 493620537 /nfs/dbraw/zinc/62/05/37/493620537.db2.gz DLKFOLFWCBBNKL-CABCVRRESA-N 2 1 354.520 0.364 20 0 FCADMP C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[C@@H]1CCSC1 ZINC000677874790 493620539 /nfs/dbraw/zinc/62/05/39/493620539.db2.gz DLKFOLFWCBBNKL-CABCVRRESA-N 2 1 354.520 0.364 20 0 FCADMP COCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671030720 493624266 /nfs/dbraw/zinc/62/42/66/493624266.db2.gz OALSGLZDXYQGPW-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671031728 493624922 /nfs/dbraw/zinc/62/49/22/493624922.db2.gz XHFZYYNTJYXNGB-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671031728 493624924 /nfs/dbraw/zinc/62/49/24/493624924.db2.gz XHFZYYNTJYXNGB-IAGOWNOFSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962137 493627274 /nfs/dbraw/zinc/62/72/74/493627274.db2.gz KUTCGMPWADLUNP-OKZBNKHCSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962137 493627276 /nfs/dbraw/zinc/62/72/76/493627276.db2.gz KUTCGMPWADLUNP-OKZBNKHCSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962137 493627278 /nfs/dbraw/zinc/62/72/78/493627278.db2.gz KUTCGMPWADLUNP-OKZBNKHCSA-N 2 1 367.538 0.517 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105862 493634721 /nfs/dbraw/zinc/63/47/21/493634721.db2.gz VJGNGFGIVZJUPP-WBVHZDCISA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105862 493634723 /nfs/dbraw/zinc/63/47/23/493634723.db2.gz VJGNGFGIVZJUPP-WBVHZDCISA-N 2 1 364.490 0.053 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104480 493635202 /nfs/dbraw/zinc/63/52/02/493635202.db2.gz JBMYGUXHPAQKTM-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104480 493635205 /nfs/dbraw/zinc/63/52/05/493635205.db2.gz JBMYGUXHPAQKTM-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000671104480 493635208 /nfs/dbraw/zinc/63/52/08/493635208.db2.gz JBMYGUXHPAQKTM-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671108356 493636423 /nfs/dbraw/zinc/63/64/23/493636423.db2.gz OIDMRNZOYDMIPA-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671108356 493636426 /nfs/dbraw/zinc/63/64/26/493636426.db2.gz OIDMRNZOYDMIPA-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671108356 493636428 /nfs/dbraw/zinc/63/64/28/493636428.db2.gz OIDMRNZOYDMIPA-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404581 493666871 /nfs/dbraw/zinc/66/68/71/493666871.db2.gz NUKXQTMBTYXDRE-SJORKVTESA-N 2 1 373.501 0.967 20 0 FCADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000664862000 493687157 /nfs/dbraw/zinc/68/71/57/493687157.db2.gz AGZRKZHKKNDRKN-QSPRXWTASA-N 2 1 364.494 0.119 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000665111545 493700281 /nfs/dbraw/zinc/70/02/81/493700281.db2.gz DELXPBSUHWZYAE-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000665111545 493700283 /nfs/dbraw/zinc/70/02/83/493700283.db2.gz DELXPBSUHWZYAE-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000671816093 493707373 /nfs/dbraw/zinc/70/73/73/493707373.db2.gz LELVLRDSZBLEFE-CABCVRRESA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671816093 493707375 /nfs/dbraw/zinc/70/73/75/493707375.db2.gz LELVLRDSZBLEFE-CABCVRRESA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000671816093 493707377 /nfs/dbraw/zinc/70/73/77/493707377.db2.gz LELVLRDSZBLEFE-CABCVRRESA-N 2 1 364.490 0.051 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665271273 493708030 /nfs/dbraw/zinc/70/80/30/493708030.db2.gz KNGSOEKUZSDMIA-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671894814 493712212 /nfs/dbraw/zinc/71/22/12/493712212.db2.gz NNBONCVFXUYMRI-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671894814 493712214 /nfs/dbraw/zinc/71/22/14/493712214.db2.gz NNBONCVFXUYMRI-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671894814 493712216 /nfs/dbraw/zinc/71/22/16/493712216.db2.gz NNBONCVFXUYMRI-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671894814 493712218 /nfs/dbraw/zinc/71/22/18/493712218.db2.gz NNBONCVFXUYMRI-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000665461221 493715969 /nfs/dbraw/zinc/71/59/69/493715969.db2.gz GZKDLLYJDRGRBK-ZWKOTPCHSA-N 2 1 366.506 0.338 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000672002416 493723127 /nfs/dbraw/zinc/72/31/27/493723127.db2.gz JUQBQEYDAXUEKO-UHFFFAOYSA-N 2 1 362.474 0.025 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000672007351 493723632 /nfs/dbraw/zinc/72/36/32/493723632.db2.gz HSEFXPOPCASWQC-HZTRTUMWSA-N 2 1 350.507 0.964 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672010658 493723885 /nfs/dbraw/zinc/72/38/85/493723885.db2.gz XKPAEBLGCSYYKB-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672011008 493724402 /nfs/dbraw/zinc/72/44/02/493724402.db2.gz PVMAPNYRWLTFDC-XHSDSOJGSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000672013572 493724691 /nfs/dbraw/zinc/72/46/91/493724691.db2.gz LRULFUDJBIRQCL-PBHICJAKSA-N 2 1 350.507 0.966 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000665719596 493731556 /nfs/dbraw/zinc/73/15/56/493731556.db2.gz JBTIWZOXHQBJTF-OAHLLOKOSA-N 2 1 356.511 0.705 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099058 493734992 /nfs/dbraw/zinc/73/49/92/493734992.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099058 493734995 /nfs/dbraw/zinc/73/49/95/493734995.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099058 493734998 /nfs/dbraw/zinc/73/49/98/493734998.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672099058 493735002 /nfs/dbraw/zinc/73/50/02/493735002.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672099058 493735005 /nfs/dbraw/zinc/73/50/05/493735005.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 2 1 367.538 0.118 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304756 493751653 /nfs/dbraw/zinc/75/16/53/493751653.db2.gz JITJHQNYUDNULW-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304756 493751655 /nfs/dbraw/zinc/75/16/55/493751655.db2.gz JITJHQNYUDNULW-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304756 493751656 /nfs/dbraw/zinc/75/16/56/493751656.db2.gz JITJHQNYUDNULW-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCCC1 ZINC000672311184 493754840 /nfs/dbraw/zinc/75/48/40/493754840.db2.gz ZNRVCMLNEDZXBK-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000666152415 493760447 /nfs/dbraw/zinc/76/04/47/493760447.db2.gz XCMFJPPUULPQFJ-LJQANCHMSA-N 2 1 361.490 0.659 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000947279165 674354324 /nfs/dbraw/zinc/35/43/24/674354324.db2.gz SERIUQLCKJPGBP-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000947972331 674369562 /nfs/dbraw/zinc/36/95/62/674369562.db2.gz FLCASERQPQUKTN-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000423596597 536466501 /nfs/dbraw/zinc/46/65/01/536466501.db2.gz RZPNAORPEWUBJD-OAHLLOKOSA-N 2 1 360.458 0.970 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000410733429 527817089 /nfs/dbraw/zinc/81/70/89/527817089.db2.gz VAXJSIGIIJAGMA-IXDOHACOSA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000410733429 527817092 /nfs/dbraw/zinc/81/70/92/527817092.db2.gz VAXJSIGIIJAGMA-IXDOHACOSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000410733429 527817094 /nfs/dbraw/zinc/81/70/94/527817094.db2.gz VAXJSIGIIJAGMA-IXDOHACOSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000410733429 527817096 /nfs/dbraw/zinc/81/70/96/527817096.db2.gz VAXJSIGIIJAGMA-IXDOHACOSA-N 2 1 352.523 0.974 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000410489939 527822686 /nfs/dbraw/zinc/82/26/86/527822686.db2.gz BERASPZDTHEFFH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000410489939 527822690 /nfs/dbraw/zinc/82/26/90/527822690.db2.gz BERASPZDTHEFFH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410568361 527827374 /nfs/dbraw/zinc/82/73/74/527827374.db2.gz AXFBSJNLZBPVFG-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410568361 527827383 /nfs/dbraw/zinc/82/73/83/527827383.db2.gz AXFBSJNLZBPVFG-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410704125 527845250 /nfs/dbraw/zinc/84/52/50/527845250.db2.gz YVUREPWFXDOLDQ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410704125 527845254 /nfs/dbraw/zinc/84/52/54/527845254.db2.gz YVUREPWFXDOLDQ-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410696611 527846659 /nfs/dbraw/zinc/84/66/59/527846659.db2.gz IANRBOQJDTZIST-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410696611 527846661 /nfs/dbraw/zinc/84/66/61/527846661.db2.gz IANRBOQJDTZIST-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000410727355 528717012 /nfs/dbraw/zinc/71/70/12/528717012.db2.gz ASTNTWPUVSJXNT-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC[N@H+]1C ZINC000410727355 528717015 /nfs/dbraw/zinc/71/70/15/528717015.db2.gz ASTNTWPUVSJXNT-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000410727355 528717020 /nfs/dbraw/zinc/71/70/20/528717020.db2.gz ASTNTWPUVSJXNT-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC[NH+]1C ZINC000410727355 528717024 /nfs/dbraw/zinc/71/70/24/528717024.db2.gz ASTNTWPUVSJXNT-ULQDDVLXSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413591981 528825816 /nfs/dbraw/zinc/82/58/16/528825816.db2.gz VTEOFMAWMNEGBA-QGZVFWFLSA-N 2 1 369.554 0.811 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1C ZINC000190249404 529070690 /nfs/dbraw/zinc/07/06/90/529070690.db2.gz MAAOVOHLEVOQAB-OAHLLOKOSA-N 2 1 364.494 0.542 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192002014 529105829 /nfs/dbraw/zinc/10/58/29/529105829.db2.gz TUDKVOOMQCZVKR-HNNXBMFYSA-N 2 1 357.524 0.824 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000167816193 529123447 /nfs/dbraw/zinc/12/34/47/529123447.db2.gz WEHXLJOGTKFSQZ-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419399782 535082550 /nfs/dbraw/zinc/08/25/50/535082550.db2.gz ZNXNLXDYLSAZPS-OAHLLOKOSA-N 2 1 358.486 0.747 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419908855 535159759 /nfs/dbraw/zinc/15/97/59/535159759.db2.gz JYRZSZYIAIYNIC-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP CCCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419231478 535193789 /nfs/dbraw/zinc/19/37/89/535193789.db2.gz RWVFHBXXKBSCOW-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419284164 535219057 /nfs/dbraw/zinc/21/90/57/535219057.db2.gz KJVIMXBMVILQNO-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419761646 535297065 /nfs/dbraw/zinc/29/70/65/535297065.db2.gz KUSCZFUAJGKZDF-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419761127 535297641 /nfs/dbraw/zinc/29/76/41/535297641.db2.gz JTOBNLWTSNVMMH-IRXDYDNUSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[N@@H+]1CCOC ZINC000423527645 535425920 /nfs/dbraw/zinc/42/59/20/535425920.db2.gz MZLIDTKLHOEAEC-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[N@H+]1CCOC ZINC000423527645 535425923 /nfs/dbraw/zinc/42/59/23/535425923.db2.gz MZLIDTKLHOEAEC-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419587896 535501568 /nfs/dbraw/zinc/50/15/68/535501568.db2.gz NWUGHCMWPULJHW-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423522845 535572288 /nfs/dbraw/zinc/57/22/88/535572288.db2.gz HSNTUEYFDLZHOD-ZWKOTPCHSA-N 2 1 360.502 0.863 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419945036 535594809 /nfs/dbraw/zinc/59/48/09/535594809.db2.gz BWPMGHCGVNXXCN-RDJZCZTQSA-N 2 1 361.490 0.606 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419824363 535709435 /nfs/dbraw/zinc/70/94/35/535709435.db2.gz MRAUMLQYQBEXPK-IKGGRYGDSA-N 2 1 367.538 0.010 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419835894 535709461 /nfs/dbraw/zinc/70/94/61/535709461.db2.gz VHJKTQLUHNHBGM-OAHLLOKOSA-N 2 1 355.527 0.010 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419822490 535709647 /nfs/dbraw/zinc/70/96/47/535709647.db2.gz LOMDWFVHSODTAN-IKGGRYGDSA-N 2 1 367.538 0.105 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419822489 535710034 /nfs/dbraw/zinc/71/00/34/535710034.db2.gz LOMDWFVHSODTAN-BRWVUGGUSA-N 2 1 367.538 0.105 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000423666962 535733865 /nfs/dbraw/zinc/73/38/65/535733865.db2.gz AFEZYPLXHQIKHT-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000423666962 535733868 /nfs/dbraw/zinc/73/38/68/535733868.db2.gz AFEZYPLXHQIKHT-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419840681 535946455 /nfs/dbraw/zinc/94/64/55/535946455.db2.gz JAMZIQKUFSBLMH-ZWKOTPCHSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423615733 536368602 /nfs/dbraw/zinc/36/86/02/536368602.db2.gz VHNGIRLVSIWWGJ-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423401755 536416136 /nfs/dbraw/zinc/41/61/36/536416136.db2.gz XHYJYYLLVIWWGR-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP CN1CCN(c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000423718467 536422227 /nfs/dbraw/zinc/42/22/27/536422227.db2.gz BCNUSRIGVBVGND-UHFFFAOYSA-N 2 1 360.506 0.975 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423311921 536449281 /nfs/dbraw/zinc/44/92/81/536449281.db2.gz UQGNXRLXMBYBCM-QRVBRYPASA-N 2 1 370.497 0.645 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419229501 536449846 /nfs/dbraw/zinc/44/98/46/536449846.db2.gz HOPZOKXAJMXGTJ-OLZOCXBDSA-N 2 1 352.504 0.583 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419229501 536449847 /nfs/dbraw/zinc/44/98/47/536449847.db2.gz HOPZOKXAJMXGTJ-OLZOCXBDSA-N 2 1 352.504 0.583 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000415170760 536469747 /nfs/dbraw/zinc/46/97/47/536469747.db2.gz XESWVNBCAHILHJ-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000415170760 536469751 /nfs/dbraw/zinc/46/97/51/536469751.db2.gz XESWVNBCAHILHJ-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCCC1 ZINC000594082625 546773849 /nfs/dbraw/zinc/77/38/49/546773849.db2.gz HHVPZSPUSZXAIF-HNNXBMFYSA-N 2 1 353.511 0.890 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594099374 546773866 /nfs/dbraw/zinc/77/38/66/546773866.db2.gz HMVZMVKNYFHSSK-MRXNPFEDSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000420364939 546909839 /nfs/dbraw/zinc/90/98/39/546909839.db2.gz DHIUCQZETHCSPB-KKXDTOCCSA-N 2 1 363.483 0.916 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152774609 546925700 /nfs/dbraw/zinc/92/57/00/546925700.db2.gz HRQYUIRKSVULPO-NVXWUHKLSA-N 2 1 356.511 0.894 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152774609 546925705 /nfs/dbraw/zinc/92/57/05/546925705.db2.gz HRQYUIRKSVULPO-NVXWUHKLSA-N 2 1 356.511 0.894 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000550133418 547079127 /nfs/dbraw/zinc/07/91/27/547079127.db2.gz OCRDWAHYQMEWGX-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000550298280 547081618 /nfs/dbraw/zinc/08/16/18/547081618.db2.gz WNLQPKBCYAMSHR-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550330385 547082413 /nfs/dbraw/zinc/08/24/13/547082413.db2.gz AXOMSMAAIQAZCT-HOCLYGCPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000550375128 547083858 /nfs/dbraw/zinc/08/38/58/547083858.db2.gz CCRIVIBKWHYCFO-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000550653520 547095101 /nfs/dbraw/zinc/09/51/01/547095101.db2.gz KMSVYXWLYCCVLH-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000550958348 547117709 /nfs/dbraw/zinc/11/77/09/547117709.db2.gz SKBWJTACQNQJLH-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000550958348 547117714 /nfs/dbraw/zinc/11/77/14/547117714.db2.gz SKBWJTACQNQJLH-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000550958348 547117716 /nfs/dbraw/zinc/11/77/16/547117716.db2.gz SKBWJTACQNQJLH-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551138541 547128446 /nfs/dbraw/zinc/12/84/46/547128446.db2.gz ZPGOJCHZFOKBPI-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000551138541 547128451 /nfs/dbraw/zinc/12/84/51/547128451.db2.gz ZPGOJCHZFOKBPI-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000551138541 547128454 /nfs/dbraw/zinc/12/84/54/547128454.db2.gz ZPGOJCHZFOKBPI-BRWVUGGUSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000551282060 547139227 /nfs/dbraw/zinc/13/92/27/547139227.db2.gz QGRSEFTWWCMDQD-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551282060 547139232 /nfs/dbraw/zinc/13/92/32/547139232.db2.gz QGRSEFTWWCMDQD-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000551282060 547139235 /nfs/dbraw/zinc/13/92/35/547139235.db2.gz QGRSEFTWWCMDQD-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284153 547140144 /nfs/dbraw/zinc/14/01/44/547140144.db2.gz JAADTIPLDMGDFX-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551492068 547150118 /nfs/dbraw/zinc/15/01/18/547150118.db2.gz LCIMNCXJPAYBHJ-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000551492068 547150122 /nfs/dbraw/zinc/15/01/22/547150122.db2.gz LCIMNCXJPAYBHJ-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000551492068 547150126 /nfs/dbraw/zinc/15/01/26/547150126.db2.gz LCIMNCXJPAYBHJ-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686782 547300279 /nfs/dbraw/zinc/30/02/79/547300279.db2.gz JZEOZXPBSZROJF-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000553686782 547300286 /nfs/dbraw/zinc/30/02/86/547300286.db2.gz JZEOZXPBSZROJF-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000553686782 547300289 /nfs/dbraw/zinc/30/02/89/547300289.db2.gz JZEOZXPBSZROJF-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000553734446 547303738 /nfs/dbraw/zinc/30/37/38/547303738.db2.gz ZHRRKPNZFCOPCD-CABCVRRESA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000475723657 547334613 /nfs/dbraw/zinc/33/46/13/547334613.db2.gz PWSHROFIEFHUGT-AKHDSKFASA-N 2 1 357.539 0.889 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000948962692 674391132 /nfs/dbraw/zinc/39/11/32/674391132.db2.gz SLLIYZBAKLDGIB-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000948962692 674391133 /nfs/dbraw/zinc/39/11/33/674391133.db2.gz SLLIYZBAKLDGIB-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000948962692 674391134 /nfs/dbraw/zinc/39/11/34/674391134.db2.gz SLLIYZBAKLDGIB-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949211324 674397613 /nfs/dbraw/zinc/39/76/13/674397613.db2.gz TXMDIHJPLZKPPZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC2)C[N@H+](CCCF)CCO3)O1 ZINC000949395697 674403667 /nfs/dbraw/zinc/40/36/67/674403667.db2.gz ZEUSFDPZAWPZEK-HZPDHXFCSA-N 2 1 357.470 0.759 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC2)C[N@@H+](CCCF)CCO3)O1 ZINC000949395697 674403668 /nfs/dbraw/zinc/40/36/68/674403668.db2.gz ZEUSFDPZAWPZEK-HZPDHXFCSA-N 2 1 357.470 0.759 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC2)C[NH+](CCCF)CCO3)O1 ZINC000949395697 674403665 /nfs/dbraw/zinc/40/36/65/674403665.db2.gz ZEUSFDPZAWPZEK-HZPDHXFCSA-N 2 1 357.470 0.759 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CC2)C[NH+](CCCF)CCO3)O1 ZINC000949395697 674403666 /nfs/dbraw/zinc/40/36/66/674403666.db2.gz ZEUSFDPZAWPZEK-HZPDHXFCSA-N 2 1 357.470 0.759 20 0 FCADMP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736802277 598366794 /nfs/dbraw/zinc/36/67/94/598366794.db2.gz PMHUYIPPABMQPM-UHFFFAOYSA-N 2 1 373.461 0.584 20 0 FCADMP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736802277 598366795 /nfs/dbraw/zinc/36/67/95/598366795.db2.gz PMHUYIPPABMQPM-UHFFFAOYSA-N 2 1 373.461 0.584 20 0 FCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161265 599644587 /nfs/dbraw/zinc/64/45/87/599644587.db2.gz XZBWODKKLDNQLH-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161265 599644588 /nfs/dbraw/zinc/64/45/88/599644588.db2.gz XZBWODKKLDNQLH-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161265 599644589 /nfs/dbraw/zinc/64/45/89/599644589.db2.gz XZBWODKKLDNQLH-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821161265 599644590 /nfs/dbraw/zinc/64/45/90/599644590.db2.gz XZBWODKKLDNQLH-GDBMZVCRSA-N 2 1 360.462 0.880 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000956323584 674521433 /nfs/dbraw/zinc/52/14/33/674521433.db2.gz VTTFCCOZCCSPPV-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000956323584 674521436 /nfs/dbraw/zinc/52/14/36/674521436.db2.gz VTTFCCOZCCSPPV-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000956323584 674521437 /nfs/dbraw/zinc/52/14/37/674521437.db2.gz VTTFCCOZCCSPPV-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496820 665719450 /nfs/dbraw/zinc/71/94/50/665719450.db2.gz KJNVXORUGKLPFI-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496820 665719452 /nfs/dbraw/zinc/71/94/52/665719452.db2.gz KJNVXORUGKLPFI-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729496820 665719454 /nfs/dbraw/zinc/71/94/54/665719454.db2.gz KJNVXORUGKLPFI-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000729617755 665736317 /nfs/dbraw/zinc/73/63/17/665736317.db2.gz GOXNTEXQFFIXDT-GVDBMIGSSA-N 2 1 352.479 0.356 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000729617755 665736321 /nfs/dbraw/zinc/73/63/21/665736321.db2.gz GOXNTEXQFFIXDT-GVDBMIGSSA-N 2 1 352.479 0.356 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969699007 663189525 /nfs/dbraw/zinc/18/95/25/663189525.db2.gz HNTSOPDSBCGUTJ-SQWLQELKSA-N 2 1 366.531 0.995 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969699007 663189526 /nfs/dbraw/zinc/18/95/26/663189526.db2.gz HNTSOPDSBCGUTJ-SQWLQELKSA-N 2 1 366.531 0.995 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000969705699 663190121 /nfs/dbraw/zinc/19/01/21/663190121.db2.gz ARECVYLGYMRNQL-CWRNSKLLSA-N 2 1 351.495 0.178 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891483845 663408930 /nfs/dbraw/zinc/40/89/30/663408930.db2.gz RZJZCVQUCIKOHM-OAGGEKHMSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495567 663409852 /nfs/dbraw/zinc/40/98/52/663409852.db2.gz ZVNCDOVXYOTSJU-BARDWOONSA-N 2 1 353.467 0.293 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1C(F)(F)F ZINC000891513854 663410807 /nfs/dbraw/zinc/41/08/07/663410807.db2.gz IALMBCGLEWTSHY-XQHKEYJVSA-N 2 1 350.385 0.628 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000891537174 663412859 /nfs/dbraw/zinc/41/28/59/663412859.db2.gz KCRIXKZBYLPOQO-UHFFFAOYSA-N 2 1 351.495 0.467 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891536637 663412968 /nfs/dbraw/zinc/41/29/68/663412968.db2.gz DZRFRZDXCNMARA-UHFFFAOYSA-N 2 1 353.511 0.842 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891564446 663415564 /nfs/dbraw/zinc/41/55/64/663415564.db2.gz NHCQFJKASLZYJX-IRXDYDNUSA-N 2 1 353.511 0.306 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC000891582871 663416615 /nfs/dbraw/zinc/41/66/15/663416615.db2.gz IJTNXGUEJSEHJD-UPJWGTAASA-N 2 1 352.401 0.733 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC001022224326 663421722 /nfs/dbraw/zinc/42/17/22/663421722.db2.gz SBZFOTLHECHCGX-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001022276226 663428747 /nfs/dbraw/zinc/42/87/47/663428747.db2.gz DIMBQEPZOIAGFB-NRWUCQMLSA-N 2 1 354.476 0.608 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001022276226 663428750 /nfs/dbraw/zinc/42/87/50/663428750.db2.gz DIMBQEPZOIAGFB-NRWUCQMLSA-N 2 1 354.476 0.608 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022274789 663428915 /nfs/dbraw/zinc/42/89/15/663428915.db2.gz DUEVQLWCUWYBKV-APIJFGDWSA-N 2 1 368.503 0.174 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022274789 663428916 /nfs/dbraw/zinc/42/89/16/663428916.db2.gz DUEVQLWCUWYBKV-APIJFGDWSA-N 2 1 368.503 0.174 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000891730791 663431460 /nfs/dbraw/zinc/43/14/60/663431460.db2.gz ZMBCODKKTKIJMN-CALCHBBNSA-N 2 1 355.527 0.375 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000891730791 663431462 /nfs/dbraw/zinc/43/14/62/663431462.db2.gz ZMBCODKKTKIJMN-CALCHBBNSA-N 2 1 355.527 0.375 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000891730791 663431463 /nfs/dbraw/zinc/43/14/63/663431463.db2.gz ZMBCODKKTKIJMN-CALCHBBNSA-N 2 1 355.527 0.375 20 0 FCADMP [NH3+]C1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892025462 663468636 /nfs/dbraw/zinc/46/86/36/663468636.db2.gz XLEPHXFBMISXKE-JCYILVPMSA-N 2 1 353.511 0.352 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21)[NH+](C)C ZINC000972860523 663896764 /nfs/dbraw/zinc/89/67/64/663896764.db2.gz FSEPZSSJLYKTEO-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C1 ZINC000892535337 664023924 /nfs/dbraw/zinc/02/39/24/664023924.db2.gz DBIIMLADGTURBZ-QGZVFWFLSA-N 2 1 350.463 0.158 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C1 ZINC000892535337 664023928 /nfs/dbraw/zinc/02/39/28/664023928.db2.gz DBIIMLADGTURBZ-QGZVFWFLSA-N 2 1 350.463 0.158 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000892596715 664045804 /nfs/dbraw/zinc/04/58/04/664045804.db2.gz QXUORJYFQQNVDK-LVQVYYBASA-N 2 1 352.479 0.796 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000892596715 664045809 /nfs/dbraw/zinc/04/58/09/664045809.db2.gz QXUORJYFQQNVDK-LVQVYYBASA-N 2 1 352.479 0.796 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000892758053 664137508 /nfs/dbraw/zinc/13/75/08/664137508.db2.gz GWTNHTDGQWAKTE-CVEARBPZSA-N 2 1 354.495 0.291 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CCC[N@H+]1CCCO)C2 ZINC000892879848 664152961 /nfs/dbraw/zinc/15/29/61/664152961.db2.gz VFWGJIYTELKOAJ-LBPRGKRZSA-N 2 1 353.492 0.516 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000892920550 664154410 /nfs/dbraw/zinc/15/44/10/664154410.db2.gz WFVGHWBKXWHORK-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893053681 664201976 /nfs/dbraw/zinc/20/19/76/664201976.db2.gz PSEYFJYWCGFEHY-QGZVFWFLSA-N 2 1 355.527 0.470 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112424 664205794 /nfs/dbraw/zinc/20/57/94/664205794.db2.gz MVLTVAGBBKTMIZ-ZACQAIPSSA-N 2 1 354.495 0.195 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112424 664205798 /nfs/dbraw/zinc/20/57/98/664205798.db2.gz MVLTVAGBBKTMIZ-ZACQAIPSSA-N 2 1 354.495 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001026497190 664239130 /nfs/dbraw/zinc/23/91/30/664239130.db2.gz RREIIGFGPDNJTC-SJJHQCBESA-N 2 1 350.507 0.966 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916780 664276998 /nfs/dbraw/zinc/27/69/98/664276998.db2.gz ODIXRFINONSHMC-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916780 664277000 /nfs/dbraw/zinc/27/70/00/664277000.db2.gz ODIXRFINONSHMC-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001026916739 664277111 /nfs/dbraw/zinc/27/71/11/664277111.db2.gz NHNJSEUCFPCNRF-JKIFEVAISA-N 2 1 350.438 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001026916739 664277115 /nfs/dbraw/zinc/27/71/15/664277115.db2.gz NHNJSEUCFPCNRF-JKIFEVAISA-N 2 1 350.438 0.878 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026916662 664277180 /nfs/dbraw/zinc/27/71/80/664277180.db2.gz LQWSAPNMZRLYQB-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026916662 664277183 /nfs/dbraw/zinc/27/71/83/664277183.db2.gz LQWSAPNMZRLYQB-CKEIUWERSA-N 2 1 350.463 0.894 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001026916245 664277383 /nfs/dbraw/zinc/27/73/83/664277383.db2.gz FQUKELWOHTVMCD-UMVBOHGHSA-N 2 1 368.503 0.809 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001026916245 664277385 /nfs/dbraw/zinc/27/73/85/664277385.db2.gz FQUKELWOHTVMCD-UMVBOHGHSA-N 2 1 368.503 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000977796498 664424333 /nfs/dbraw/zinc/42/43/33/664424333.db2.gz CPZOYRJALDLXEE-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000977796498 664424338 /nfs/dbraw/zinc/42/43/38/664424338.db2.gz CPZOYRJALDLXEE-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000977796498 664424342 /nfs/dbraw/zinc/42/43/42/664424342.db2.gz CPZOYRJALDLXEE-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)O1 ZINC000978361381 664435792 /nfs/dbraw/zinc/43/57/92/664435792.db2.gz VUHHPISJUVYNMJ-FXXCCUJSSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)O1 ZINC000978361381 664435794 /nfs/dbraw/zinc/43/57/94/664435794.db2.gz VUHHPISJUVYNMJ-FXXCCUJSSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCOC4CCC4)C[C@H]32)O1 ZINC000978361381 664435796 /nfs/dbraw/zinc/43/57/96/664435796.db2.gz VUHHPISJUVYNMJ-FXXCCUJSSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)O1 ZINC000978361381 664435798 /nfs/dbraw/zinc/43/57/98/664435798.db2.gz VUHHPISJUVYNMJ-FXXCCUJSSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)O1 ZINC000978361381 664435801 /nfs/dbraw/zinc/43/58/01/664435801.db2.gz VUHHPISJUVYNMJ-FXXCCUJSSA-N 2 1 351.491 0.569 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000978980204 664452258 /nfs/dbraw/zinc/45/22/58/664452258.db2.gz IVZKGXHJHFKDJJ-TXCZRRACSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000981200699 664817598 /nfs/dbraw/zinc/81/75/98/664817598.db2.gz ZUIIGLGNTJDSHP-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000981200699 664817602 /nfs/dbraw/zinc/81/76/02/664817602.db2.gz ZUIIGLGNTJDSHP-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000981200699 664817605 /nfs/dbraw/zinc/81/76/05/664817605.db2.gz ZUIIGLGNTJDSHP-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000981200699 664817607 /nfs/dbraw/zinc/81/76/07/664817607.db2.gz ZUIIGLGNTJDSHP-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC000983708173 664985280 /nfs/dbraw/zinc/98/52/80/664985280.db2.gz HZQBSMNPMILSNS-ZHCJQAHYSA-N 2 1 371.547 0.636 20 0 FCADMP C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000895297227 665036354 /nfs/dbraw/zinc/03/63/54/665036354.db2.gz ALLVFUCNUKNTRW-JKSUJKDBSA-N 2 1 352.479 0.213 20 0 FCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000895297227 665036357 /nfs/dbraw/zinc/03/63/57/665036357.db2.gz ALLVFUCNUKNTRW-JKSUJKDBSA-N 2 1 352.479 0.213 20 0 FCADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896234262 665075988 /nfs/dbraw/zinc/07/59/88/665075988.db2.gz HZKOUVBTTITZPZ-HNNXBMFYSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000985442735 665167665 /nfs/dbraw/zinc/16/76/65/665167665.db2.gz QVSYJVDXMNGYGO-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000985442735 665167666 /nfs/dbraw/zinc/16/76/66/665167666.db2.gz QVSYJVDXMNGYGO-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCN3CCNC3=O)CC2)CC[NH+]1C ZINC000985442735 665167667 /nfs/dbraw/zinc/16/76/67/665167667.db2.gz QVSYJVDXMNGYGO-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP Cc1ncoc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029769160 665171970 /nfs/dbraw/zinc/17/19/70/665171970.db2.gz UCHSADCJHXDYLG-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029769160 665171972 /nfs/dbraw/zinc/17/19/72/665171972.db2.gz UCHSADCJHXDYLG-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029769160 665171973 /nfs/dbraw/zinc/17/19/73/665171973.db2.gz UCHSADCJHXDYLG-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029769160 665171974 /nfs/dbraw/zinc/17/19/74/665171974.db2.gz UCHSADCJHXDYLG-FRFSOERESA-N 2 1 350.463 0.982 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000888169350 665284898 /nfs/dbraw/zinc/28/48/98/665284898.db2.gz HNDPEGRIPHFEAK-HOTGVXAUSA-N 2 1 353.511 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000938039673 665313007 /nfs/dbraw/zinc/31/30/07/665313007.db2.gz AASCPCZDCQRIDI-BQJWPVKWSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000938039673 665313010 /nfs/dbraw/zinc/31/30/10/665313010.db2.gz AASCPCZDCQRIDI-BQJWPVKWSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000938039673 665313015 /nfs/dbraw/zinc/31/30/15/665313015.db2.gz AASCPCZDCQRIDI-BQJWPVKWSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000989052478 665338115 /nfs/dbraw/zinc/33/81/15/665338115.db2.gz WJHFSDKIBZOGBU-VYDXJSESSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1cc(N2CCC([NH2+]C[C@H](O)C[C@@]3(O)CCOC3)CC2)nc(C)[nH+]1 ZINC000905153993 666006993 /nfs/dbraw/zinc/00/69/93/666006993.db2.gz IVFCBAQBXXNYLO-AEFFLSMTSA-N 2 1 350.463 0.554 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000907046409 666092352 /nfs/dbraw/zinc/09/23/52/666092352.db2.gz DWDQUGAJUGCTMN-QZTJIDSGSA-N 2 1 352.523 0.364 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)C1CCC([NH+]2CCOCC2)CC1 ZINC000908526074 666210220 /nfs/dbraw/zinc/21/02/20/666210220.db2.gz JZNAURZLNCKIOI-DAWZGUTISA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000908526465 666210234 /nfs/dbraw/zinc/21/02/34/666210234.db2.gz MSYKIOPIBUEUQV-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000908526465 666210236 /nfs/dbraw/zinc/21/02/36/666210236.db2.gz MSYKIOPIBUEUQV-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000908526465 666210238 /nfs/dbraw/zinc/21/02/38/666210238.db2.gz MSYKIOPIBUEUQV-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908541131 666211386 /nfs/dbraw/zinc/21/13/86/666211386.db2.gz QGCXPYJMFFDBDW-LXPRWKDFSA-N 2 1 353.507 0.840 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000911166023 666319129 /nfs/dbraw/zinc/31/91/29/666319129.db2.gz TWNNBIBZFRGSFL-HNNXBMFYSA-N 2 1 362.499 0.328 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000911166023 666319131 /nfs/dbraw/zinc/31/91/31/666319131.db2.gz TWNNBIBZFRGSFL-HNNXBMFYSA-N 2 1 362.499 0.328 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000911417816 666346568 /nfs/dbraw/zinc/34/65/68/666346568.db2.gz DGFBKMOGWHNQFV-KURKYZTESA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000911417816 666346571 /nfs/dbraw/zinc/34/65/71/666346571.db2.gz DGFBKMOGWHNQFV-KURKYZTESA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000911417816 666346574 /nfs/dbraw/zinc/34/65/74/666346574.db2.gz DGFBKMOGWHNQFV-KURKYZTESA-N 2 1 352.523 0.506 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000912731732 666470951 /nfs/dbraw/zinc/47/09/51/666470951.db2.gz CABPDAYOWAPNNT-QGZVFWFLSA-N 2 1 352.523 0.582 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)CC[N@H+]1C ZINC000991492670 666539451 /nfs/dbraw/zinc/53/94/51/666539451.db2.gz OKPTUEBRXOFDSU-BBWFWOEESA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC[NH+]1C ZINC000991492670 666539454 /nfs/dbraw/zinc/53/94/54/666539454.db2.gz OKPTUEBRXOFDSU-BBWFWOEESA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@H]12 ZINC000991974159 666611113 /nfs/dbraw/zinc/61/11/13/666611113.db2.gz LEKPEZRONXNCHJ-VUHPKUFZSA-N 2 1 351.491 0.999 20 0 FCADMP CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CCC[C@H]12 ZINC000991974150 666611162 /nfs/dbraw/zinc/61/11/62/666611162.db2.gz LEKPEZRONXNCHJ-DFEOGRTESA-N 2 1 351.491 0.999 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315806 666633112 /nfs/dbraw/zinc/63/31/12/666633112.db2.gz XDFQLJYBYPLZDY-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992315806 666633115 /nfs/dbraw/zinc/63/31/15/666633115.db2.gz XDFQLJYBYPLZDY-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000992315806 666633117 /nfs/dbraw/zinc/63/31/17/666633117.db2.gz XDFQLJYBYPLZDY-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)CC[N@H+]1C ZINC000992399278 666635940 /nfs/dbraw/zinc/63/59/40/666635940.db2.gz HEKASWRXNIQQTM-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC[NH+]1C ZINC000992399278 666635941 /nfs/dbraw/zinc/63/59/41/666635941.db2.gz HEKASWRXNIQQTM-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC[NH+]1C ZINC000992399278 666635943 /nfs/dbraw/zinc/63/59/43/666635943.db2.gz HEKASWRXNIQQTM-GVDBMIGSSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000944029847 666813484 /nfs/dbraw/zinc/81/34/84/666813484.db2.gz BAVKJHHEFOGKJC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419482190 674768799 /nfs/dbraw/zinc/76/87/99/674768799.db2.gz PYEBPIZHHJJGSU-APWZRJJASA-N 2 1 350.507 0.969 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214115 666853228 /nfs/dbraw/zinc/85/32/28/666853228.db2.gz HAOROMGEFCCVTO-OLMMMNRUSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996608224 666944647 /nfs/dbraw/zinc/94/46/47/666944647.db2.gz RFZHFFCHVLGODV-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994031512 666959004 /nfs/dbraw/zinc/95/90/04/666959004.db2.gz IJTRVLUHWSLAAJ-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)CC1 ZINC001032408982 667110938 /nfs/dbraw/zinc/11/09/38/667110938.db2.gz RHORDQIHKKJDBV-FJIDUMEYSA-N 2 1 351.491 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000997793508 667175945 /nfs/dbraw/zinc/17/59/45/667175945.db2.gz QCYIZHBYHRXGIM-DJIMGWMZSA-N 2 1 371.547 0.590 20 0 FCADMP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997860310 667178062 /nfs/dbraw/zinc/17/80/62/667178062.db2.gz ORUZLYQMSJTBEU-IUODEOHRSA-N 2 1 367.519 0.894 20 0 FCADMP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997860310 667178064 /nfs/dbraw/zinc/17/80/64/667178064.db2.gz ORUZLYQMSJTBEU-IUODEOHRSA-N 2 1 367.519 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC001002262068 667527793 /nfs/dbraw/zinc/52/77/93/667527793.db2.gz BYBFSZVFXMJHMX-BBWFWOEESA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC001003797053 667631534 /nfs/dbraw/zinc/63/15/34/667631534.db2.gz QLKXRZAABKPTPB-HDEZJCGLSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC001003797053 667631536 /nfs/dbraw/zinc/63/15/36/667631536.db2.gz QLKXRZAABKPTPB-HDEZJCGLSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC001003797053 667631539 /nfs/dbraw/zinc/63/15/39/667631539.db2.gz QLKXRZAABKPTPB-HDEZJCGLSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001033093222 667669754 /nfs/dbraw/zinc/66/97/54/667669754.db2.gz ZGOPTYLPHAWZSP-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001033093222 667669757 /nfs/dbraw/zinc/66/97/57/667669757.db2.gz ZGOPTYLPHAWZSP-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001033093222 667669762 /nfs/dbraw/zinc/66/97/62/667669762.db2.gz ZGOPTYLPHAWZSP-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001033093222 667669764 /nfs/dbraw/zinc/66/97/64/667669764.db2.gz ZGOPTYLPHAWZSP-HYVNUMGLSA-N 2 1 371.547 0.684 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004449837 667687184 /nfs/dbraw/zinc/68/71/84/667687184.db2.gz JYTGMMBEYQLSEE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004449837 667687186 /nfs/dbraw/zinc/68/71/86/667687186.db2.gz JYTGMMBEYQLSEE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004449837 667687189 /nfs/dbraw/zinc/68/71/89/667687189.db2.gz JYTGMMBEYQLSEE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001033180752 667712699 /nfs/dbraw/zinc/71/26/99/667712699.db2.gz CBJGOWXEINZEGE-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001033180752 667712702 /nfs/dbraw/zinc/71/27/02/667712702.db2.gz CBJGOWXEINZEGE-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCc3ccns3)C2)O1 ZINC001033180752 667712705 /nfs/dbraw/zinc/71/27/05/667712705.db2.gz CBJGOWXEINZEGE-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccns3)C2)O1 ZINC001033180752 667712706 /nfs/dbraw/zinc/71/27/06/667712706.db2.gz CBJGOWXEINZEGE-IIAWOOMASA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005406893 667740516 /nfs/dbraw/zinc/74/05/16/667740516.db2.gz KFYPDKVZKOMVQA-JKIFEVAISA-N 2 1 350.507 0.917 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)CC1 ZINC001034209094 667749282 /nfs/dbraw/zinc/74/92/82/667749282.db2.gz GUKWFLXPDNGHOF-KSZLIROESA-N 2 1 353.507 0.696 20 0 FCADMP CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001034647282 667762092 /nfs/dbraw/zinc/76/20/92/667762092.db2.gz CPXRTXUWLMZOHP-HHARLNAUSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370652 667776464 /nfs/dbraw/zinc/77/64/64/667776464.db2.gz PBHMCHGZBSYXMW-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370652 667776466 /nfs/dbraw/zinc/77/64/66/667776466.db2.gz PBHMCHGZBSYXMW-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC3CCOCC3)CCO2)CC[N@H+]1C ZINC001035375574 667777889 /nfs/dbraw/zinc/77/78/89/667777889.db2.gz KUWSMGGGJIPJKJ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001035375574 667777892 /nfs/dbraw/zinc/77/78/92/667777892.db2.gz KUWSMGGGJIPJKJ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001035375574 667777893 /nfs/dbraw/zinc/77/78/93/667777893.db2.gz KUWSMGGGJIPJKJ-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923280897 667821853 /nfs/dbraw/zinc/82/18/53/667821853.db2.gz LSBBLQAYQBPYFW-HIFRSBDPSA-N 2 1 355.866 0.867 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc(OC)c1OC ZINC000923486008 667840541 /nfs/dbraw/zinc/84/05/41/667840541.db2.gz AWJLWODCKDDJDE-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP COc1nscc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000961991177 674853214 /nfs/dbraw/zinc/85/32/14/674853214.db2.gz PHTMWQDZZAFWJW-BNQIPGGESA-N 2 1 368.503 0.855 20 0 FCADMP COc1nscc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961991177 674853216 /nfs/dbraw/zinc/85/32/16/674853216.db2.gz PHTMWQDZZAFWJW-BNQIPGGESA-N 2 1 368.503 0.855 20 0 FCADMP Cc1nc(C)c(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961992696 674853322 /nfs/dbraw/zinc/85/33/22/674853322.db2.gz ZENZDJRURDUHIT-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C)c(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961992696 674853323 /nfs/dbraw/zinc/85/33/23/674853323.db2.gz ZENZDJRURDUHIT-SWAAJBHPSA-N 2 1 350.463 0.995 20 0 FCADMP COc1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000961990617 674853362 /nfs/dbraw/zinc/85/33/62/674853362.db2.gz NJJCQHMXOSDQMB-XZNOPERXSA-N 2 1 368.503 0.855 20 0 FCADMP COc1cc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000961990617 674853363 /nfs/dbraw/zinc/85/33/63/674853363.db2.gz NJJCQHMXOSDQMB-XZNOPERXSA-N 2 1 368.503 0.855 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923588290 667852621 /nfs/dbraw/zinc/85/26/21/667852621.db2.gz XAPZYRJYPOXCMP-UHFFFAOYSA-N 2 1 352.504 0.653 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001006183434 667856317 /nfs/dbraw/zinc/85/63/17/667856317.db2.gz KNRJVYPUJMZVTF-BHYGNILZSA-N 2 1 350.507 0.776 20 0 FCADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767691426 668058657 /nfs/dbraw/zinc/05/86/57/668058657.db2.gz UNCLXCMROBVIFL-DLBZAZTESA-N 2 1 370.563 0.551 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511551 668154124 /nfs/dbraw/zinc/15/41/24/668154124.db2.gz TUUAEAQOAWSZNZ-GOEBONIOSA-N 2 1 350.463 0.080 20 0 FCADMP CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000774558931 668159310 /nfs/dbraw/zinc/15/93/10/668159310.db2.gz QCRDRVJJSVAHQK-SFHVURJKSA-N 2 1 355.479 0.788 20 0 FCADMP CC(=O)N1CC[C@H](C[N@@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376016 668875811 /nfs/dbraw/zinc/87/58/11/668875811.db2.gz UMPDNGZRESSADW-QAPCUYQASA-N 2 1 350.463 0.661 20 0 FCADMP CC(=O)N1CC[C@H](C[N@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790376016 668875812 /nfs/dbraw/zinc/87/58/12/668875812.db2.gz UMPDNGZRESSADW-QAPCUYQASA-N 2 1 350.463 0.661 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000809968028 669654333 /nfs/dbraw/zinc/65/43/33/669654333.db2.gz KQDPPRWGHMLWEZ-GOSISDBHSA-N 2 1 358.527 0.831 20 0 FCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816547663 669963693 /nfs/dbraw/zinc/96/36/93/669963693.db2.gz DQTZIQUWBRZOTO-AWEZNQCLSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000964929271 675076870 /nfs/dbraw/zinc/07/68/70/675076870.db2.gz YWDPFWCBDVQFNF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2Cl)CC1 ZINC000841161569 670538234 /nfs/dbraw/zinc/53/82/34/670538234.db2.gz NIXGYTARGJXEJC-LBPRGKRZSA-N 2 1 365.865 0.590 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841163177 670538344 /nfs/dbraw/zinc/53/83/44/670538344.db2.gz ASOZOYAZOGZMLE-LBPRGKRZSA-N 2 1 367.881 0.884 20 0 FCADMP C[C@H]([NH3+])c1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000843201946 670779793 /nfs/dbraw/zinc/77/97/93/670779793.db2.gz CCJQOHBWTIFEME-NSHDSACASA-N 2 1 353.448 0.986 20 0 FCADMP CCN(C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843364061 670806888 /nfs/dbraw/zinc/80/68/88/670806888.db2.gz NIFRBEXXFDAOMJ-GJZGRUSLSA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843364061 670806902 /nfs/dbraw/zinc/80/69/02/670806902.db2.gz NIFRBEXXFDAOMJ-GJZGRUSLSA-N 2 1 357.520 0.486 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)NC(=O)N[C@H]1C ZINC000843385760 670810958 /nfs/dbraw/zinc/81/09/58/670810958.db2.gz VYSIJLMCYPZHKQ-JSGCOSHPSA-N 2 1 350.463 0.826 20 0 FCADMP COC(=O)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCOCC1 ZINC000843389212 670811495 /nfs/dbraw/zinc/81/14/95/670811495.db2.gz UFJPYAQBYCSGME-ROUUACIJSA-N 2 1 350.459 0.961 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(=O)N(C)C[C@@H]3C)CC2)CC1 ZINC000847851071 671230410 /nfs/dbraw/zinc/23/04/10/671230410.db2.gz VESIWSZPLVPCNV-HNNXBMFYSA-N 2 1 350.507 0.872 20 0 FCADMP CS(=O)(=O)Nc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849056603 671316321 /nfs/dbraw/zinc/31/63/21/671316321.db2.gz ZNSLVKGUWACZMC-UHFFFAOYSA-N 2 1 369.491 0.394 20 0 FCADMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)CNC(=O)OC(C)(C)C ZINC000849107591 671317993 /nfs/dbraw/zinc/31/79/93/671317993.db2.gz BZHRAAYUUDBEAC-CQSZACIVSA-N 2 1 357.499 0.983 20 0 FCADMP COc1ccc([C@H](CO)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849115627 671318943 /nfs/dbraw/zinc/31/89/43/671318943.db2.gz BWBCNPMVRHKEMA-INIZCTEOSA-N 2 1 350.463 0.607 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)nc1 ZINC000852743563 671522923 /nfs/dbraw/zinc/52/29/23/671522923.db2.gz FPDPYHXVYWUECJ-ZDUSSCGKSA-N 2 1 365.865 0.817 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc(Cl)nc1 ZINC000852743563 671522926 /nfs/dbraw/zinc/52/29/26/671522926.db2.gz FPDPYHXVYWUECJ-ZDUSSCGKSA-N 2 1 365.865 0.817 20 0 FCADMP C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1NC(=O)C(F)(F)F ZINC000853248406 671544899 /nfs/dbraw/zinc/54/48/99/671544899.db2.gz FWTCQKRGRDDFEQ-UPJWGTAASA-N 2 1 364.412 0.573 20 0 FCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1NC(=O)C(F)(F)F ZINC000853248406 671544900 /nfs/dbraw/zinc/54/49/00/671544900.db2.gz FWTCQKRGRDDFEQ-UPJWGTAASA-N 2 1 364.412 0.573 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000856014649 671674499 /nfs/dbraw/zinc/67/44/99/671674499.db2.gz MTSIUDJSMUDCNT-KLHDSHLOSA-N 2 1 354.495 0.563 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000856014649 671674500 /nfs/dbraw/zinc/67/45/00/671674500.db2.gz MTSIUDJSMUDCNT-KLHDSHLOSA-N 2 1 354.495 0.563 20 0 FCADMP CON(CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000856014649 671674502 /nfs/dbraw/zinc/67/45/02/671674502.db2.gz MTSIUDJSMUDCNT-KLHDSHLOSA-N 2 1 354.495 0.563 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903734016 675965233 /nfs/dbraw/zinc/96/52/33/675965233.db2.gz SKIIYAQNMIJEJX-IEBWSBKVSA-N 2 1 350.507 0.385 20 0 FCADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCOCC[NH3+] ZINC000863554753 672138761 /nfs/dbraw/zinc/13/87/61/672138761.db2.gz HIVDZEICBZBGER-OAHLLOKOSA-N 2 1 350.463 0.757 20 0 FCADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000863554753 672138763 /nfs/dbraw/zinc/13/87/63/672138763.db2.gz HIVDZEICBZBGER-OAHLLOKOSA-N 2 1 350.463 0.757 20 0 FCADMP C[NH+]1CCC(CNC(=S)N2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000865268008 672236150 /nfs/dbraw/zinc/23/61/50/672236150.db2.gz ZMFDJQNRJHXHOT-UHFFFAOYSA-N 2 1 353.580 0.915 20 0 FCADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865451168 672243149 /nfs/dbraw/zinc/24/31/49/672243149.db2.gz KBQYFHAIKDBYMI-GOSISDBHSA-N 2 1 350.511 0.820 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)cn1 ZINC000866751220 672297643 /nfs/dbraw/zinc/29/76/43/672297643.db2.gz UBRIJHBMRPASLX-UHFFFAOYSA-N 2 1 364.475 0.594 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001054134989 676001053 /nfs/dbraw/zinc/00/10/53/676001053.db2.gz RUXIWEQYZUZOCP-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001054134989 676001056 /nfs/dbraw/zinc/00/10/56/676001056.db2.gz RUXIWEQYZUZOCP-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001054134989 676001058 /nfs/dbraw/zinc/00/10/58/676001058.db2.gz RUXIWEQYZUZOCP-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001054134989 676001061 /nfs/dbraw/zinc/00/10/61/676001061.db2.gz RUXIWEQYZUZOCP-JFIYKMOQSA-N 2 1 371.547 0.686 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868285521 672392148 /nfs/dbraw/zinc/39/21/48/672392148.db2.gz KDUUXBACSMJZHR-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868285521 672392149 /nfs/dbraw/zinc/39/21/49/672392149.db2.gz KDUUXBACSMJZHR-GDBMZVCRSA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H](F)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055614853 676027404 /nfs/dbraw/zinc/02/74/04/676027404.db2.gz KXMMMBVXNYMBMS-FVQBIDKESA-N 2 1 356.486 0.772 20 0 FCADMP C[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055617698 676027847 /nfs/dbraw/zinc/02/78/47/676027847.db2.gz MOGXMNKVQIVQIH-ABFRBSLYSA-N 2 1 350.507 0.679 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000123682624 672563713 /nfs/dbraw/zinc/56/37/13/672563713.db2.gz PJRSNKNSSWJMRI-IYBDPMFKSA-N 2 1 356.511 0.848 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]CCC2(C)C)CC1=O ZINC000872297745 672611249 /nfs/dbraw/zinc/61/12/49/672611249.db2.gz UXCYCESWJGWCCL-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056549055 676047298 /nfs/dbraw/zinc/04/72/98/676047298.db2.gz VACYVTXKAMICFI-NCOADZHNSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050525407 676085404 /nfs/dbraw/zinc/08/54/04/676085404.db2.gz WPQUBIWNVNFUNK-BZUAXINKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)O1 ZINC001050563945 676086229 /nfs/dbraw/zinc/08/62/29/676086229.db2.gz LWOAKMBPPIDYDU-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)O1 ZINC001050563945 676086232 /nfs/dbraw/zinc/08/62/32/676086232.db2.gz LWOAKMBPPIDYDU-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC001051623922 676106821 /nfs/dbraw/zinc/10/68/21/676106821.db2.gz KKZZFQSKBWAAAU-MELADBBJSA-N 2 1 353.492 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC001051623922 676106823 /nfs/dbraw/zinc/10/68/23/676106823.db2.gz KKZZFQSKBWAAAU-MELADBBJSA-N 2 1 353.492 0.585 20 0 FCADMP Cn1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(Br)n1 ZINC000881389768 673227196 /nfs/dbraw/zinc/22/71/96/673227196.db2.gz DYMFHLVDQXCXPY-UHFFFAOYSA-N 2 1 368.283 0.788 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)s1 ZINC001051625253 676107221 /nfs/dbraw/zinc/10/72/21/676107221.db2.gz XMOMEBHICRAXPO-KWCYVHTRSA-N 2 1 353.492 0.504 20 0 FCADMP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)s1 ZINC001051625253 676107222 /nfs/dbraw/zinc/10/72/22/676107222.db2.gz XMOMEBHICRAXPO-KWCYVHTRSA-N 2 1 353.492 0.504 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883385695 673372935 /nfs/dbraw/zinc/37/29/35/673372935.db2.gz QWARWNQILFKHRS-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000883538159 673381869 /nfs/dbraw/zinc/38/18/69/673381869.db2.gz NQRLUPMAMRVCIW-UAGQMJEPSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000883538159 673381874 /nfs/dbraw/zinc/38/18/74/673381874.db2.gz NQRLUPMAMRVCIW-UAGQMJEPSA-N 2 1 354.495 0.648 20 0 FCADMP CN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C1(C[NH3+])CCCCC1 ZINC000883654035 673389132 /nfs/dbraw/zinc/38/91/32/673389132.db2.gz QOQYMIWVDFIOTE-UHFFFAOYSA-N 2 1 354.495 0.022 20 0 FCADMP CN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C1(C[NH3+])CCCCC1 ZINC000883654035 673389136 /nfs/dbraw/zinc/38/91/36/673389136.db2.gz QOQYMIWVDFIOTE-UHFFFAOYSA-N 2 1 354.495 0.022 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560395 673462342 /nfs/dbraw/zinc/46/23/42/673462342.db2.gz WULPOIOTZSLCFG-LSDHHAIUSA-N 2 1 352.479 0.086 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884603291 673465124 /nfs/dbraw/zinc/46/51/24/673465124.db2.gz GMTHQPGFQFJVHP-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884787459 673482357 /nfs/dbraw/zinc/48/23/57/673482357.db2.gz SJOTWGCHHHPDCH-GRYCIOLGSA-N 2 1 350.385 0.183 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884970480 673494440 /nfs/dbraw/zinc/49/44/40/673494440.db2.gz KDCPOFWCKHDBBG-CVEARBPZSA-N 2 1 352.523 0.975 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276510 673511440 /nfs/dbraw/zinc/51/14/40/673511440.db2.gz SRMPJESLPNYANX-MELADBBJSA-N 2 1 358.433 0.290 20 0 FCADMP CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000887068057 673618185 /nfs/dbraw/zinc/61/81/85/673618185.db2.gz FCKVASUYIUKEAU-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887079159 673620587 /nfs/dbraw/zinc/62/05/87/673620587.db2.gz LJUXPEDUSLNHSJ-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H](CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC000890130331 673704273 /nfs/dbraw/zinc/70/42/73/673704273.db2.gz QDJGYMLYVBKFKZ-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741573 673762412 /nfs/dbraw/zinc/76/24/12/673762412.db2.gz GJABVUTYYNQTNS-HZPDHXFCSA-N 2 1 352.479 0.894 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967753 673771461 /nfs/dbraw/zinc/77/14/61/673771461.db2.gz YQUOUSYOVILKFD-HOCLYGCPSA-N 2 1 374.551 0.224 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000926444208 673831763 /nfs/dbraw/zinc/83/17/63/673831763.db2.gz QPRSAXNLEZUOGE-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000926444208 673831765 /nfs/dbraw/zinc/83/17/65/673831765.db2.gz QPRSAXNLEZUOGE-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC000927637130 673873296 /nfs/dbraw/zinc/87/32/96/673873296.db2.gz NSLPQZZROTXJPM-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@H](C)C1 ZINC000927637130 673873300 /nfs/dbraw/zinc/87/33/00/673873300.db2.gz NSLPQZZROTXJPM-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@H](C)C1 ZINC000927637130 673873302 /nfs/dbraw/zinc/87/33/02/673873302.db2.gz NSLPQZZROTXJPM-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637133 673873543 /nfs/dbraw/zinc/87/35/43/673873543.db2.gz NSLPQZZROTXJPM-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637133 673873546 /nfs/dbraw/zinc/87/35/46/673873546.db2.gz NSLPQZZROTXJPM-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)C1 ZINC000927637133 673873551 /nfs/dbraw/zinc/87/35/51/673873551.db2.gz NSLPQZZROTXJPM-YQQAZPJKSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)CCC1(CCC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928552507 673919300 /nfs/dbraw/zinc/91/93/00/673919300.db2.gz VGPOMVOMXHLRBK-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000929506806 673959911 /nfs/dbraw/zinc/95/99/11/673959911.db2.gz QBBXRZBXBAHCJN-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929506806 673959913 /nfs/dbraw/zinc/95/99/13/673959913.db2.gz QBBXRZBXBAHCJN-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929506806 673959916 /nfs/dbraw/zinc/95/99/16/673959916.db2.gz QBBXRZBXBAHCJN-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000929506806 673959917 /nfs/dbraw/zinc/95/99/17/673959917.db2.gz QBBXRZBXBAHCJN-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000929506806 673959920 /nfs/dbraw/zinc/95/99/20/673959920.db2.gz QBBXRZBXBAHCJN-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929506807 673960202 /nfs/dbraw/zinc/96/02/02/673960202.db2.gz QBBXRZBXBAHCJN-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000929506807 673960203 /nfs/dbraw/zinc/96/02/03/673960203.db2.gz QBBXRZBXBAHCJN-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000929506807 673960206 /nfs/dbraw/zinc/96/02/06/673960206.db2.gz QBBXRZBXBAHCJN-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000929506807 673960207 /nfs/dbraw/zinc/96/02/07/673960207.db2.gz QBBXRZBXBAHCJN-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001007367288 675288030 /nfs/dbraw/zinc/28/80/30/675288030.db2.gz ACPQMXGQHFGBPZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001007367288 675288035 /nfs/dbraw/zinc/28/80/35/675288035.db2.gz ACPQMXGQHFGBPZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001007367288 675288039 /nfs/dbraw/zinc/28/80/39/675288039.db2.gz ACPQMXGQHFGBPZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001007367288 675288043 /nfs/dbraw/zinc/28/80/43/675288043.db2.gz ACPQMXGQHFGBPZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001007367288 675288045 /nfs/dbraw/zinc/28/80/45/675288045.db2.gz ACPQMXGQHFGBPZ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001007368286 675288250 /nfs/dbraw/zinc/28/82/50/675288250.db2.gz DAHXSEYQSBJGDY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001007368286 675288255 /nfs/dbraw/zinc/28/82/55/675288255.db2.gz DAHXSEYQSBJGDY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001007368286 675288257 /nfs/dbraw/zinc/28/82/57/675288257.db2.gz DAHXSEYQSBJGDY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001007368286 675288259 /nfs/dbraw/zinc/28/82/59/675288259.db2.gz DAHXSEYQSBJGDY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001007368286 675288261 /nfs/dbraw/zinc/28/82/61/675288261.db2.gz DAHXSEYQSBJGDY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001014475049 675390764 /nfs/dbraw/zinc/39/07/64/675390764.db2.gz KHPJLJAUMLJJKM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001014475049 675390765 /nfs/dbraw/zinc/39/07/65/675390765.db2.gz KHPJLJAUMLJJKM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)CC[NH+]1C ZINC001014475049 675390767 /nfs/dbraw/zinc/39/07/67/675390767.db2.gz KHPJLJAUMLJJKM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)CC[NH+]1C ZINC001014475049 675390768 /nfs/dbraw/zinc/39/07/68/675390768.db2.gz KHPJLJAUMLJJKM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001014506187 675391655 /nfs/dbraw/zinc/39/16/55/675391655.db2.gz FWRYGMOOYHKAPX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001014506187 675391660 /nfs/dbraw/zinc/39/16/60/675391660.db2.gz FWRYGMOOYHKAPX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001014506187 675391664 /nfs/dbraw/zinc/39/16/64/675391664.db2.gz FWRYGMOOYHKAPX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001014506187 675391670 /nfs/dbraw/zinc/39/16/70/675391670.db2.gz FWRYGMOOYHKAPX-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001020171210 675436178 /nfs/dbraw/zinc/43/61/78/675436178.db2.gz SDQMTALKCFJBNH-AAVRWANBSA-N 2 1 351.451 0.336 20 0 FCADMP COCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001020171210 675436182 /nfs/dbraw/zinc/43/61/82/675436182.db2.gz SDQMTALKCFJBNH-AAVRWANBSA-N 2 1 351.451 0.336 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001020171187 675436200 /nfs/dbraw/zinc/43/62/00/675436200.db2.gz RCBFLSFMBLOLKO-DTZQCDIJSA-N 2 1 357.520 0.388 20 0 FCADMP COCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136717 675447695 /nfs/dbraw/zinc/44/76/95/675447695.db2.gz OECUANHCZVXURA-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136717 675447697 /nfs/dbraw/zinc/44/76/97/675447697.db2.gz OECUANHCZVXURA-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136717 675447698 /nfs/dbraw/zinc/44/76/98/675447698.db2.gz OECUANHCZVXURA-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP COCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136717 675447699 /nfs/dbraw/zinc/44/76/99/675447699.db2.gz OECUANHCZVXURA-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001041297100 675511970 /nfs/dbraw/zinc/51/19/70/675511970.db2.gz MHOJNXBRMLBSCL-BFYDXBDKSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001041297100 675511973 /nfs/dbraw/zinc/51/19/73/675511973.db2.gz MHOJNXBRMLBSCL-BFYDXBDKSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041297100 675511976 /nfs/dbraw/zinc/51/19/76/675511976.db2.gz MHOJNXBRMLBSCL-BFYDXBDKSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041297100 675511979 /nfs/dbraw/zinc/51/19/79/675511979.db2.gz MHOJNXBRMLBSCL-BFYDXBDKSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCCO)CC3)CC[N@H+]1C ZINC001045672273 675656790 /nfs/dbraw/zinc/65/67/90/675656790.db2.gz PMVMDCTVJGTPFK-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](CC(N)=O)C3)C2)CC[N@H+]1C ZINC001045939135 675673943 /nfs/dbraw/zinc/67/39/43/675673943.db2.gz WFIPKVNLMBRJPB-FRQCXROJSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)CC[NH+]1C ZINC001045939135 675673944 /nfs/dbraw/zinc/67/39/44/675673944.db2.gz WFIPKVNLMBRJPB-FRQCXROJSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CC[NH+]1C ZINC001045939135 675673946 /nfs/dbraw/zinc/67/39/46/675673946.db2.gz WFIPKVNLMBRJPB-FRQCXROJSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@]3(CC[NH+](CCCO)C3)C2)O1 ZINC001045947941 675674191 /nfs/dbraw/zinc/67/41/91/675674191.db2.gz QBQODTSLDVEVIG-ZHALLVOQSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@]3(CC[NH+](CCCO)C3)C2)O1 ZINC001045947941 675674193 /nfs/dbraw/zinc/67/41/93/675674193.db2.gz QBQODTSLDVEVIG-ZHALLVOQSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@]3(CC[N@H+](CCCO)C3)C2)O1 ZINC001045947941 675674195 /nfs/dbraw/zinc/67/41/95/675674195.db2.gz QBQODTSLDVEVIG-ZHALLVOQSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@]3(CC[N@@H+](CCCO)C3)C2)O1 ZINC001045947941 675674197 /nfs/dbraw/zinc/67/41/97/675674197.db2.gz QBQODTSLDVEVIG-ZHALLVOQSA-N 2 1 353.507 0.793 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438322 675681657 /nfs/dbraw/zinc/68/16/57/675681657.db2.gz CFLMSNKRMIKITL-FOIPXRHGSA-N 2 1 351.491 0.857 20 0 FCADMP CCCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037900 675682192 /nfs/dbraw/zinc/68/21/92/675682192.db2.gz BOADPSQTJXZDTQ-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037900 675682194 /nfs/dbraw/zinc/68/21/94/675682194.db2.gz BOADPSQTJXZDTQ-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037900 675682196 /nfs/dbraw/zinc/68/21/96/675682196.db2.gz BOADPSQTJXZDTQ-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CCCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037900 675682198 /nfs/dbraw/zinc/68/21/98/675682198.db2.gz BOADPSQTJXZDTQ-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000900585543 675697139 /nfs/dbraw/zinc/69/71/39/675697139.db2.gz SVTGBXVOIZASLC-SFHVURJKSA-N 2 1 354.539 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001046328489 675708847 /nfs/dbraw/zinc/70/88/47/675708847.db2.gz FKHWAALWPXMMDC-QGPMSJSTSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001046328489 675708850 /nfs/dbraw/zinc/70/88/50/675708850.db2.gz FKHWAALWPXMMDC-QGPMSJSTSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001046328489 675708851 /nfs/dbraw/zinc/70/88/51/675708851.db2.gz FKHWAALWPXMMDC-QGPMSJSTSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001046328489 675708854 /nfs/dbraw/zinc/70/88/54/675708854.db2.gz FKHWAALWPXMMDC-QGPMSJSTSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001046329257 675708864 /nfs/dbraw/zinc/70/88/64/675708864.db2.gz NGLLWLGMUNREAA-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001046329257 675708868 /nfs/dbraw/zinc/70/88/68/675708868.db2.gz NGLLWLGMUNREAA-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001046329257 675708871 /nfs/dbraw/zinc/70/88/71/675708871.db2.gz NGLLWLGMUNREAA-GPMSIDNRSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000901137275 675762788 /nfs/dbraw/zinc/76/27/88/675762788.db2.gz JOBPMAZEOYZQAK-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000901137275 675762790 /nfs/dbraw/zinc/76/27/90/675762790.db2.gz JOBPMAZEOYZQAK-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000901137275 675762794 /nfs/dbraw/zinc/76/27/94/675762794.db2.gz JOBPMAZEOYZQAK-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801514880 675789085 /nfs/dbraw/zinc/78/90/85/675789085.db2.gz MWEAAJVSJOMITE-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801514880 675789090 /nfs/dbraw/zinc/78/90/90/675789090.db2.gz MWEAAJVSJOMITE-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001047386334 675796090 /nfs/dbraw/zinc/79/60/90/675796090.db2.gz QSINYTKMKGNDRN-MHORFTMASA-N 2 1 353.507 0.647 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001047386334 675796092 /nfs/dbraw/zinc/79/60/92/675796092.db2.gz QSINYTKMKGNDRN-MHORFTMASA-N 2 1 353.507 0.647 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001047386334 675796095 /nfs/dbraw/zinc/79/60/95/675796095.db2.gz QSINYTKMKGNDRN-MHORFTMASA-N 2 1 353.507 0.647 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969221011 1167822275 /nfs/dbraw/zinc/82/22/75/1167822275.db2.gz NBWASZIFIVJMFZ-XKQJLSEDSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969223602 1167823204 /nfs/dbraw/zinc/82/32/04/1167823204.db2.gz MEEZRXMCBBLVJL-IKGGRYGDSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000969312310 1167870207 /nfs/dbraw/zinc/87/02/07/1167870207.db2.gz DRWDBIWTBGICKW-NRSFXHEJSA-N 2 1 362.518 0.870 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC000969430350 1167951470 /nfs/dbraw/zinc/95/14/70/1167951470.db2.gz ZOZMVLUOIHDQHY-QKPAOTATSA-N 2 1 369.469 0.811 20 0 FCADMP Cc1nc(C)c(C)c(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001125299768 1167985681 /nfs/dbraw/zinc/98/56/81/1167985681.db2.gz WZPQSOCRTBFXEG-DJIMGWMZSA-N 2 1 363.506 0.998 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000969691281 1168058119 /nfs/dbraw/zinc/05/81/19/1168058119.db2.gz SYHSSDUTWRRANE-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000969691281 1168058125 /nfs/dbraw/zinc/05/81/25/1168058125.db2.gz SYHSSDUTWRRANE-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969959627 1168237312 /nfs/dbraw/zinc/23/73/12/1168237312.db2.gz UGFHWOVJFFCLGG-SOLBZPMBSA-N 2 1 363.506 0.656 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969959627 1168237321 /nfs/dbraw/zinc/23/73/21/1168237321.db2.gz UGFHWOVJFFCLGG-SOLBZPMBSA-N 2 1 363.506 0.656 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001719583810 1168456421 /nfs/dbraw/zinc/45/64/21/1168456421.db2.gz SWZCQCXBXPWHKW-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnn(C)c2)O1 ZINC001021296656 1168958495 /nfs/dbraw/zinc/95/84/95/1168958495.db2.gz ADQRIITYZGEEJQ-POGJWJPPSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnn(C)c2)O1 ZINC001021296656 1168958513 /nfs/dbraw/zinc/95/85/13/1168958513.db2.gz ADQRIITYZGEEJQ-POGJWJPPSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(C)c2)O1 ZINC001021296656 1168958532 /nfs/dbraw/zinc/95/85/32/1168958532.db2.gz ADQRIITYZGEEJQ-POGJWJPPSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(C)c2)O1 ZINC001021296656 1168958556 /nfs/dbraw/zinc/95/85/56/1168958556.db2.gz ADQRIITYZGEEJQ-POGJWJPPSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc3nsnc32)CC[N@H+]1C ZINC001482731390 1192374670 /nfs/dbraw/zinc/37/46/70/1192374670.db2.gz UHMIEGBOIUYWEO-KWCYVHTRSA-N 2 1 363.487 0.598 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000644917448 1169867416 /nfs/dbraw/zinc/86/74/16/1169867416.db2.gz HAZQMRSSAZHDMZ-MRXNPFEDSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001021703958 1169898741 /nfs/dbraw/zinc/89/87/41/1169898741.db2.gz KOWMBDJGCVLUTB-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703867 1170108109 /nfs/dbraw/zinc/10/81/09/1170108109.db2.gz PCBCNWKDYPZELO-BFHYXJOUSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H](O)C[N@@H+](Cc1cccc(C[NH+](C[C@H](C)O)[C@H](C)CO)c1)[C@H](C)CO ZINC000276220766 1170360559 /nfs/dbraw/zinc/36/05/59/1170360559.db2.gz QOBJUSGOLXSYHG-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[C@@H](O)C[NH+](Cc1cccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)c1)[C@H](C)CO ZINC000276220766 1170360566 /nfs/dbraw/zinc/36/05/66/1170360566.db2.gz QOBJUSGOLXSYHG-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[C@@H](O)C[NH+](Cc1cccc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1)[C@H](C)CO ZINC000276220766 1170360574 /nfs/dbraw/zinc/36/05/74/1170360574.db2.gz QOBJUSGOLXSYHG-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001691079203 1170730527 /nfs/dbraw/zinc/73/05/27/1170730527.db2.gz JALTXJRPHQLKGT-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NCC2CC2)CC[N@H+]1C ZINC001691079203 1170730541 /nfs/dbraw/zinc/73/05/41/1170730541.db2.gz JALTXJRPHQLKGT-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC2CC2)CC[NH+]1C ZINC001691079203 1170730546 /nfs/dbraw/zinc/73/05/46/1170730546.db2.gz JALTXJRPHQLKGT-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC2CC2)CC[NH+]1C ZINC001691079203 1170730553 /nfs/dbraw/zinc/73/05/53/1170730553.db2.gz JALTXJRPHQLKGT-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC[NH2+]CCOCCO ZINC001104375473 1170743143 /nfs/dbraw/zinc/74/31/43/1170743143.db2.gz OCLMZMXJQXCLOC-HUUCEWRRSA-N 2 1 368.478 0.433 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC001022275496 1170824110 /nfs/dbraw/zinc/82/41/10/1170824110.db2.gz MFBIPSNXCCUPHX-RUZUBIRVSA-N 2 1 371.432 0.814 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC001022275496 1170824115 /nfs/dbraw/zinc/82/41/15/1170824115.db2.gz MFBIPSNXCCUPHX-RUZUBIRVSA-N 2 1 371.432 0.814 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC001691229993 1170874982 /nfs/dbraw/zinc/87/49/82/1170874982.db2.gz OGMXPDHRDILCQF-LSDHHAIUSA-N 2 1 364.490 0.494 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891805840 1170881131 /nfs/dbraw/zinc/88/11/31/1170881131.db2.gz RRZPVXVWAXQSHU-MSOLQXFVSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805840 1170881132 /nfs/dbraw/zinc/88/11/32/1170881132.db2.gz RRZPVXVWAXQSHU-MSOLQXFVSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891805840 1170881133 /nfs/dbraw/zinc/88/11/33/1170881133.db2.gz RRZPVXVWAXQSHU-MSOLQXFVSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC[N@H+]1C ZINC001022353376 1170885151 /nfs/dbraw/zinc/88/51/51/1170885151.db2.gz NCUGGZQRQRQLPM-NNPSNHGLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC[NH+]1C ZINC001022353376 1170885152 /nfs/dbraw/zinc/88/51/52/1170885152.db2.gz NCUGGZQRQRQLPM-NNPSNHGLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC[NH+]1C ZINC001022353376 1170885153 /nfs/dbraw/zinc/88/51/53/1170885153.db2.gz NCUGGZQRQRQLPM-NNPSNHGLSA-N 2 1 362.518 0.870 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001691263328 1170985499 /nfs/dbraw/zinc/98/54/99/1170985499.db2.gz NOFBFIQZIPTPDH-HRCADAONSA-N 2 1 364.490 0.352 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001691263327 1170986560 /nfs/dbraw/zinc/98/65/60/1170986560.db2.gz NOFBFIQZIPTPDH-ARFHVFGLSA-N 2 1 364.490 0.352 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001691287263 1171041405 /nfs/dbraw/zinc/04/14/05/1171041405.db2.gz IBLKYPRQYDBZMT-CGTJXYLNSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](OCC)C1 ZINC001691335326 1171134011 /nfs/dbraw/zinc/13/40/11/1171134011.db2.gz BCLOYKQBEHUYED-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)CC1 ZINC001022514308 1171350351 /nfs/dbraw/zinc/35/03/51/1171350351.db2.gz IRHKHACPWFJTDG-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022720015 1171811968 /nfs/dbraw/zinc/81/19/68/1171811968.db2.gz DXDFGQSCAAIENZ-YESZJQIVSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CCn4ccnc4)C[C@H]32)C1 ZINC001022723763 1171817709 /nfs/dbraw/zinc/81/77/09/1171817709.db2.gz FKQDKZGAUAWMHK-IXDOHACOSA-N 2 1 359.474 0.674 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022724196 1171818451 /nfs/dbraw/zinc/81/84/51/1171818451.db2.gz VAGQTXKDKFQBIX-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022724196 1171818456 /nfs/dbraw/zinc/81/84/56/1171818456.db2.gz VAGQTXKDKFQBIX-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)c1nnnn1C ZINC001087208794 1171824296 /nfs/dbraw/zinc/82/42/96/1171824296.db2.gz WSHQCLHXJFADDN-FMKPAKJESA-N 2 1 363.510 0.830 20 0 FCADMP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001022748497 1171856740 /nfs/dbraw/zinc/85/67/40/1171856740.db2.gz ZMAOJYXLFMGJKA-LFDJNIOPSA-N 2 1 370.497 0.799 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000972236626 1171874137 /nfs/dbraw/zinc/87/41/37/1171874137.db2.gz GOFBGTUWQJFNGY-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)C1 ZINC000972238972 1171877634 /nfs/dbraw/zinc/87/76/34/1171877634.db2.gz XFZCZCLBIWUCLI-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000972253817 1171889623 /nfs/dbraw/zinc/88/96/23/1171889623.db2.gz CDFRQSZBZLZIJR-FGTMMUONSA-N 2 1 371.485 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000988990965 1192617215 /nfs/dbraw/zinc/61/72/15/1192617215.db2.gz QMCRJXSFRKOAED-OIISXLGYSA-N 2 1 359.474 0.639 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989054423 1192663669 /nfs/dbraw/zinc/66/36/69/1192663669.db2.gz QYTZOBJIRRCFBB-ZBFHGGJFSA-N 2 1 361.490 0.800 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897632231 1192838198 /nfs/dbraw/zinc/83/81/98/1192838198.db2.gz MKENGGFKYCSVGJ-HOTGVXAUSA-N 2 1 361.490 0.965 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897691012 1192841836 /nfs/dbraw/zinc/84/18/36/1192841836.db2.gz BTRNTJZIBMYTMS-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897691012 1192841838 /nfs/dbraw/zinc/84/18/38/1192841838.db2.gz BTRNTJZIBMYTMS-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897717572 1192844152 /nfs/dbraw/zinc/84/41/52/1192844152.db2.gz UFCOFPZSGSYMSV-OAGGEKHMSA-N 2 1 359.474 0.718 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000898010337 1192853525 /nfs/dbraw/zinc/85/35/25/1192853525.db2.gz BZXPTZJBFLCXGD-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000898010337 1192853526 /nfs/dbraw/zinc/85/35/26/1192853526.db2.gz BZXPTZJBFLCXGD-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000898010335 1192853774 /nfs/dbraw/zinc/85/37/74/1192853774.db2.gz BZXPTZJBFLCXGD-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000898010335 1192853776 /nfs/dbraw/zinc/85/37/76/1192853776.db2.gz BZXPTZJBFLCXGD-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000842035250 1192861188 /nfs/dbraw/zinc/86/11/88/1192861188.db2.gz JJBJIKCCVZDSCA-XJKSGUPXSA-N 2 1 370.457 0.635 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[NH+](CCOCCO)CC[C@@H]2C1 ZINC001691558137 1192875388 /nfs/dbraw/zinc/87/53/88/1192875388.db2.gz RLEVWHVAHBUBLK-SQNIBIBYSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001691558137 1192875389 /nfs/dbraw/zinc/87/53/89/1192875389.db2.gz RLEVWHVAHBUBLK-SQNIBIBYSA-N 2 1 353.507 0.650 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001691558137 1192875391 /nfs/dbraw/zinc/87/53/91/1192875391.db2.gz RLEVWHVAHBUBLK-SQNIBIBYSA-N 2 1 353.507 0.650 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562495 1192879075 /nfs/dbraw/zinc/87/90/75/1192879075.db2.gz ZMNUXBUWEBLUHG-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562495 1192879076 /nfs/dbraw/zinc/87/90/76/1192879076.db2.gz ZMNUXBUWEBLUHG-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562495 1192879078 /nfs/dbraw/zinc/87/90/78/1192879078.db2.gz ZMNUXBUWEBLUHG-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)N(C)C ZINC001267250066 1179021901 /nfs/dbraw/zinc/02/19/01/1179021901.db2.gz DNJCREHUVCKRTO-MSOLQXFVSA-N 2 1 360.502 0.858 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)N(C)C ZINC001267250066 1179021915 /nfs/dbraw/zinc/02/19/15/1179021915.db2.gz DNJCREHUVCKRTO-MSOLQXFVSA-N 2 1 360.502 0.858 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)N(C)C ZINC001267250066 1179021924 /nfs/dbraw/zinc/02/19/24/1179021924.db2.gz DNJCREHUVCKRTO-MSOLQXFVSA-N 2 1 360.502 0.858 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC(=O)N(C)C ZINC001267250066 1179021932 /nfs/dbraw/zinc/02/19/32/1179021932.db2.gz DNJCREHUVCKRTO-MSOLQXFVSA-N 2 1 360.502 0.858 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001112516292 1179498124 /nfs/dbraw/zinc/49/81/24/1179498124.db2.gz CANUYXIVHOIESX-FCEWJHQRSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001112516292 1179498137 /nfs/dbraw/zinc/49/81/37/1179498137.db2.gz CANUYXIVHOIESX-FCEWJHQRSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001023376053 1179505526 /nfs/dbraw/zinc/50/55/26/1179505526.db2.gz VFPPUZDDCBZRPH-KYJSFNMBSA-N 2 1 366.506 0.047 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001023376053 1179505539 /nfs/dbraw/zinc/50/55/39/1179505539.db2.gz VFPPUZDDCBZRPH-KYJSFNMBSA-N 2 1 366.506 0.047 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C[C@H]21 ZINC000972607888 1179972360 /nfs/dbraw/zinc/97/23/60/1179972360.db2.gz DDWCFNNEMSILDW-BZUAXINKSA-N 2 1 359.474 0.886 20 0 FCADMP CCN1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)n2)C1 ZINC001087248234 1180010169 /nfs/dbraw/zinc/01/01/69/1180010169.db2.gz UUWVIQVJFPFCER-PVAVHDDUSA-N 2 1 364.494 0.253 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001023705604 1180128175 /nfs/dbraw/zinc/12/81/75/1180128175.db2.gz ACDOXVMUYWAMKT-OWCLPIDISA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]cn4)[C@@H]3C2)C1 ZINC000972738837 1180688674 /nfs/dbraw/zinc/68/86/74/1180688674.db2.gz IEVQADJIDPZKQD-BFYDXBDKSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1 ZINC000972738837 1180688687 /nfs/dbraw/zinc/68/86/87/1180688687.db2.gz IEVQADJIDPZKQD-BFYDXBDKSA-N 2 1 359.474 0.743 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1 ZINC000972738837 1180688706 /nfs/dbraw/zinc/68/87/06/1180688706.db2.gz IEVQADJIDPZKQD-BFYDXBDKSA-N 2 1 359.474 0.743 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001024136658 1180864329 /nfs/dbraw/zinc/86/43/29/1180864329.db2.gz UKZCPPXEKQUIRH-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001024136658 1180864330 /nfs/dbraw/zinc/86/43/30/1180864330.db2.gz UKZCPPXEKQUIRH-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001024136658 1180864331 /nfs/dbraw/zinc/86/43/31/1180864331.db2.gz UKZCPPXEKQUIRH-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCCC2=O)O1 ZINC001024505486 1181259264 /nfs/dbraw/zinc/25/92/64/1181259264.db2.gz DVKXOOUANYEZIT-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCCC2=O)O1 ZINC001024505486 1181259270 /nfs/dbraw/zinc/25/92/70/1181259270.db2.gz DVKXOOUANYEZIT-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCCC2=O)O1 ZINC001024505486 1181259276 /nfs/dbraw/zinc/25/92/76/1181259276.db2.gz DVKXOOUANYEZIT-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCN2CCCC2=O)O1 ZINC001024505486 1181259280 /nfs/dbraw/zinc/25/92/80/1181259280.db2.gz DVKXOOUANYEZIT-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCCC2=O)O1 ZINC001024505486 1181259286 /nfs/dbraw/zinc/25/92/86/1181259286.db2.gz DVKXOOUANYEZIT-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211633322 1181310701 /nfs/dbraw/zinc/31/07/01/1181310701.db2.gz XSOPKPYCBGXQBC-DLBZAZTESA-N 2 1 355.442 0.522 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111939803 1181547052 /nfs/dbraw/zinc/54/70/52/1181547052.db2.gz TVYDTXIPUIZFDB-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111939803 1181547055 /nfs/dbraw/zinc/54/70/55/1181547055.db2.gz TVYDTXIPUIZFDB-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111939803 1181547060 /nfs/dbraw/zinc/54/70/60/1181547060.db2.gz TVYDTXIPUIZFDB-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111939803 1181547066 /nfs/dbraw/zinc/54/70/66/1181547066.db2.gz TVYDTXIPUIZFDB-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cccc(-n4cc(C[NH3+])nn4)c3)C2)C1 ZINC000892520711 1181713493 /nfs/dbraw/zinc/71/34/93/1181713493.db2.gz RYXQHOMMHSOYEP-IBGZPJMESA-N 2 1 369.473 0.963 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083275186 1181780745 /nfs/dbraw/zinc/78/07/45/1181780745.db2.gz RTAPIJZBPKTUIR-OKZBNKHCSA-N 2 1 361.490 0.363 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083275186 1181780748 /nfs/dbraw/zinc/78/07/48/1181780748.db2.gz RTAPIJZBPKTUIR-OKZBNKHCSA-N 2 1 361.490 0.363 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083275186 1181780750 /nfs/dbraw/zinc/78/07/50/1181780750.db2.gz RTAPIJZBPKTUIR-OKZBNKHCSA-N 2 1 361.490 0.363 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083275186 1181780751 /nfs/dbraw/zinc/78/07/51/1181780751.db2.gz RTAPIJZBPKTUIR-OKZBNKHCSA-N 2 1 361.490 0.363 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001745258119 1181801341 /nfs/dbraw/zinc/80/13/41/1181801341.db2.gz FYAHJVMZKGWXHJ-OAGGEKHMSA-N 2 1 361.490 0.971 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025000418 1181844958 /nfs/dbraw/zinc/84/49/58/1181844958.db2.gz JHBCJVWMXQCVJN-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025000418 1181844959 /nfs/dbraw/zinc/84/49/59/1181844959.db2.gz JHBCJVWMXQCVJN-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892545362 1181852665 /nfs/dbraw/zinc/85/26/65/1181852665.db2.gz VLUVTUADILFCBJ-HKUYNNGSSA-N 3 1 372.517 0.939 20 0 FCADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892545362 1181852668 /nfs/dbraw/zinc/85/26/68/1181852668.db2.gz VLUVTUADILFCBJ-HKUYNNGSSA-N 2 1 372.517 0.939 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892545362 1181852672 /nfs/dbraw/zinc/85/26/72/1181852672.db2.gz VLUVTUADILFCBJ-HKUYNNGSSA-N 2 1 372.517 0.939 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279433 1182059319 /nfs/dbraw/zinc/05/93/19/1182059319.db2.gz ZQBJFEJKCHYKCR-KSZLIROESA-N 2 1 367.490 0.045 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279433 1182059326 /nfs/dbraw/zinc/05/93/26/1182059326.db2.gz ZQBJFEJKCHYKCR-KSZLIROESA-N 2 1 367.490 0.045 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279433 1182059332 /nfs/dbraw/zinc/05/93/32/1182059332.db2.gz ZQBJFEJKCHYKCR-KSZLIROESA-N 2 1 367.490 0.045 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]32)C1 ZINC001083279433 1182059340 /nfs/dbraw/zinc/05/93/40/1182059340.db2.gz ZQBJFEJKCHYKCR-KSZLIROESA-N 2 1 367.490 0.045 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001104679140 1182360118 /nfs/dbraw/zinc/36/01/18/1182360118.db2.gz GVAPADGYAPGEBM-GVDBMIGSSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001104680921 1182362335 /nfs/dbraw/zinc/36/23/35/1182362335.db2.gz ZHHQDHOXJYWPJX-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211649245 1182432568 /nfs/dbraw/zinc/43/25/68/1182432568.db2.gz YEKOAMFJJMNLDT-INDMIFKZSA-N 2 1 361.486 0.672 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765441 1182485124 /nfs/dbraw/zinc/48/51/24/1182485124.db2.gz CALVRSMGYSFVDK-SJORKVTESA-N 2 1 367.538 0.470 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000892766447 1182485573 /nfs/dbraw/zinc/48/55/73/1182485573.db2.gz LEJKJNWRONHFME-HZPDHXFCSA-N 2 1 368.522 0.632 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892773254 1182495066 /nfs/dbraw/zinc/49/50/66/1182495066.db2.gz BXSFQIBKDBOTFF-KRWDZBQOSA-N 2 1 368.522 0.897 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892935797 1182622289 /nfs/dbraw/zinc/62/22/89/1182622289.db2.gz UELXURUSZMBGQI-QGZVFWFLSA-N 2 1 367.538 0.696 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001025683100 1182677796 /nfs/dbraw/zinc/67/77/96/1182677796.db2.gz HKHKTTYTYOOULS-KBRIMQKVSA-N 2 1 371.441 0.120 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[N@H+]1C ZINC001025795220 1182846998 /nfs/dbraw/zinc/84/69/98/1182846998.db2.gz ZFEPDECOLAINCV-PVWHLQNVSA-N 2 1 362.518 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025795220 1182847001 /nfs/dbraw/zinc/84/70/01/1182847001.db2.gz ZFEPDECOLAINCV-PVWHLQNVSA-N 2 1 362.518 0.772 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C(C)C)C4=O)C[C@H]32)CC[NH+]1C ZINC001025795220 1182847002 /nfs/dbraw/zinc/84/70/02/1182847002.db2.gz ZFEPDECOLAINCV-PVWHLQNVSA-N 2 1 362.518 0.772 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054422 1182869936 /nfs/dbraw/zinc/86/99/36/1182869936.db2.gz WWHGCLBDOVITAY-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893054422 1182869937 /nfs/dbraw/zinc/86/99/37/1182869937.db2.gz WWHGCLBDOVITAY-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893054422 1182869942 /nfs/dbraw/zinc/86/99/42/1182869942.db2.gz WWHGCLBDOVITAY-QGZVFWFLSA-N 2 1 367.538 0.424 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104796372 1182925159 /nfs/dbraw/zinc/92/51/59/1182925159.db2.gz QMALEHOHJVFCPX-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974185837 1183039734 /nfs/dbraw/zinc/03/97/34/1183039734.db2.gz BUDJABWOLIZCTC-UUAJXVIYSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000974185837 1183039738 /nfs/dbraw/zinc/03/97/38/1183039738.db2.gz BUDJABWOLIZCTC-UUAJXVIYSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000974185837 1183039745 /nfs/dbraw/zinc/03/97/45/1183039745.db2.gz BUDJABWOLIZCTC-UUAJXVIYSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000974185837 1183039754 /nfs/dbraw/zinc/03/97/54/1183039754.db2.gz BUDJABWOLIZCTC-UUAJXVIYSA-N 2 1 366.506 0.199 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001105008137 1183066388 /nfs/dbraw/zinc/06/63/88/1183066388.db2.gz RLOOFEHXDPHZCB-BZUAXINKSA-N 2 1 366.485 0.774 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040371 1183088160 /nfs/dbraw/zinc/08/81/60/1183088160.db2.gz IFBKTHSGRMLMRO-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040371 1183088168 /nfs/dbraw/zinc/08/81/68/1183088168.db2.gz IFBKTHSGRMLMRO-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H](O)CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244266 1183154540 /nfs/dbraw/zinc/15/45/40/1183154540.db2.gz UFMYXLHIFJGFBG-JJRVBVJISA-N 2 1 364.494 0.252 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001691766612 1183243583 /nfs/dbraw/zinc/24/35/83/1183243583.db2.gz XVPWIQHIQQKXHS-RRFJBIMHSA-N 2 1 356.511 0.291 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000974545473 1183327971 /nfs/dbraw/zinc/32/79/71/1183327971.db2.gz UKFACWFBNZMPIM-QBPKDAKJSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000974545473 1183327985 /nfs/dbraw/zinc/32/79/85/1183327985.db2.gz UKFACWFBNZMPIM-QBPKDAKJSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC2(C)C)CC[N@@H+]1C ZINC000974605901 1183379410 /nfs/dbraw/zinc/37/94/10/1183379410.db2.gz ORXNSABVGYSPOA-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC2(C)C)CC[N@H+]1C ZINC000974605901 1183379417 /nfs/dbraw/zinc/37/94/17/1183379417.db2.gz ORXNSABVGYSPOA-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC2(C)C)CC[NH+]1C ZINC000974605901 1183379423 /nfs/dbraw/zinc/37/94/23/1183379423.db2.gz ORXNSABVGYSPOA-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC2(C)C)CC[NH+]1C ZINC000974605901 1183379427 /nfs/dbraw/zinc/37/94/27/1183379427.db2.gz ORXNSABVGYSPOA-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001026855691 1183424693 /nfs/dbraw/zinc/42/46/93/1183424693.db2.gz LMOPLWHOLLLPGE-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](CNCc3noc(C4CC4)n3)C2)O1 ZINC001026913477 1183488951 /nfs/dbraw/zinc/48/89/51/1183488951.db2.gz AGNQDCZEBUDSRJ-VNHYZAJKSA-N 2 1 363.462 0.604 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026916200 1183490212 /nfs/dbraw/zinc/49/02/12/1183490212.db2.gz DJGYCVGCRKTSJR-IJEWVQPXSA-N 2 1 363.462 0.142 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026916200 1183490218 /nfs/dbraw/zinc/49/02/18/1183490218.db2.gz DJGYCVGCRKTSJR-IJEWVQPXSA-N 2 1 363.462 0.142 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211740 1183774762 /nfs/dbraw/zinc/77/47/62/1183774762.db2.gz RVHREGZCQOGHHB-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211740 1183774765 /nfs/dbraw/zinc/77/47/65/1183774765.db2.gz RVHREGZCQOGHHB-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211740 1183774770 /nfs/dbraw/zinc/77/47/70/1183774770.db2.gz RVHREGZCQOGHHB-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975811119 1185805970 /nfs/dbraw/zinc/80/59/70/1185805970.db2.gz MPBOMRQWQPUWSS-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000975811119 1185805971 /nfs/dbraw/zinc/80/59/71/1185805971.db2.gz MPBOMRQWQPUWSS-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975821910 1185819135 /nfs/dbraw/zinc/81/91/35/1185819135.db2.gz NIYYYOKVHKYMHE-ULQDDVLXSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+][C@@H]3CCNC3=O)cc2)CC[N@H+]1C ZINC001027254980 1185834753 /nfs/dbraw/zinc/83/47/53/1185834753.db2.gz WGRCGWSATCIQSD-ZTFGCOKTSA-N 2 1 358.486 0.664 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC[N@H+]1C ZINC000978869522 1186019650 /nfs/dbraw/zinc/01/96/50/1186019650.db2.gz FZDBUYAKRFQEPL-XJTKPRQNSA-N 2 1 373.501 0.875 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000981092042 1186321861 /nfs/dbraw/zinc/32/18/61/1186321861.db2.gz PYTRXMNFISZFCE-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000981092042 1186321866 /nfs/dbraw/zinc/32/18/66/1186321866.db2.gz PYTRXMNFISZFCE-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(CC(=O)NC3CCOCC3)CC2)CC[N@H+]1C ZINC000981194500 1186347231 /nfs/dbraw/zinc/34/72/31/1186347231.db2.gz SGTNIYAIXAMBNI-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)CC1 ZINC000981774682 1186515818 /nfs/dbraw/zinc/51/58/18/1186515818.db2.gz FVZFSFVBRQZONH-MSOLQXFVSA-N 2 1 365.518 0.650 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776219 1186516702 /nfs/dbraw/zinc/51/67/02/1186516702.db2.gz HUZXJSGVNDCESP-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981776219 1186516705 /nfs/dbraw/zinc/51/67/05/1186516705.db2.gz HUZXJSGVNDCESP-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776219 1186516711 /nfs/dbraw/zinc/51/67/11/1186516711.db2.gz HUZXJSGVNDCESP-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613931 1186653491 /nfs/dbraw/zinc/65/34/91/1186653491.db2.gz VLWZGUPIFMMMTE-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613931 1186653498 /nfs/dbraw/zinc/65/34/98/1186653498.db2.gz VLWZGUPIFMMMTE-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613931 1186653502 /nfs/dbraw/zinc/65/35/02/1186653502.db2.gz VLWZGUPIFMMMTE-RCCFBDPRSA-N 2 1 356.470 0.912 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740146 1187513555 /nfs/dbraw/zinc/51/35/55/1187513555.db2.gz CPJXELISHLNYNC-ROUUACIJSA-N 2 1 367.538 0.253 20 0 FCADMP CCOC(=O)Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894097482 1187537145 /nfs/dbraw/zinc/53/71/45/1187537145.db2.gz MFNAEGCSZKHUCK-ZIAGYGMSSA-N 2 1 358.446 0.498 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000982822009 1187737443 /nfs/dbraw/zinc/73/74/43/1187737443.db2.gz XRROJLCKMXWJRN-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000982929357 1187800629 /nfs/dbraw/zinc/80/06/29/1187800629.db2.gz BKDLRCOKXVDURP-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423246734 1187851714 /nfs/dbraw/zinc/85/17/14/1187851714.db2.gz PWEJMWUUOOPRAD-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP CN(CC(=O)N1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1)C(N)=[NH2+] ZINC001269992485 1187961325 /nfs/dbraw/zinc/96/13/25/1187961325.db2.gz MLJWLCLCFHQHPF-OKILXGFUSA-N 2 1 360.462 0.283 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000398086379 1188029528 /nfs/dbraw/zinc/02/95/28/1188029528.db2.gz ULFHIDOPIYZKKN-PVAVHDDUSA-N 2 1 367.515 0.775 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001270155694 1188033972 /nfs/dbraw/zinc/03/39/72/1188033972.db2.gz QGHWOFRFFBQPGL-QFBILLFUSA-N 2 1 359.474 0.998 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C[C@@H]21 ZINC001270273638 1188074166 /nfs/dbraw/zinc/07/41/66/1188074166.db2.gz YZGLJYSCHXDCCJ-HOTGVXAUSA-N 2 1 358.446 0.232 20 0 FCADMP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000550030736 1188212858 /nfs/dbraw/zinc/21/28/58/1188212858.db2.gz MQWNRXLZXPHMRD-MAUKXSAKSA-N 2 1 374.485 0.767 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1)Cc1ccccc1 ZINC000550136467 1188233178 /nfs/dbraw/zinc/23/31/78/1188233178.db2.gz FSECUTPZWKJHST-KRWDZBQOSA-N 2 1 369.469 0.952 20 0 FCADMP CCOC(=O)Cn1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894581341 1188234748 /nfs/dbraw/zinc/23/47/48/1188234748.db2.gz OZEBQCIACUYNPY-IYBDPMFKSA-N 2 1 372.473 0.840 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC000983713880 1188280474 /nfs/dbraw/zinc/28/04/74/1188280474.db2.gz NBIQNMORWMFLRB-YHUYYLMFSA-N 2 1 363.510 0.969 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167991392 1188341494 /nfs/dbraw/zinc/34/14/94/1188341494.db2.gz AFKPDXWXSDJWOI-WMWLNJEOSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167991392 1188341495 /nfs/dbraw/zinc/34/14/95/1188341495.db2.gz AFKPDXWXSDJWOI-WMWLNJEOSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167991392 1188341499 /nfs/dbraw/zinc/34/14/99/1188341499.db2.gz AFKPDXWXSDJWOI-WMWLNJEOSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167991392 1188341504 /nfs/dbraw/zinc/34/15/04/1188341504.db2.gz AFKPDXWXSDJWOI-WMWLNJEOSA-N 2 1 360.502 0.815 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167991392 1188341509 /nfs/dbraw/zinc/34/15/09/1188341509.db2.gz AFKPDXWXSDJWOI-WMWLNJEOSA-N 2 1 360.502 0.815 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000550372597 1188343190 /nfs/dbraw/zinc/34/31/90/1188343190.db2.gz NKHTTZBJQMCXSE-UHFFFAOYSA-N 2 1 367.538 0.118 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCc3ncnn32)CC[N@H+]1C ZINC001029314073 1189374269 /nfs/dbraw/zinc/37/42/69/1189374269.db2.gz ZVCKGJNVPYQIMH-NQNKBUKLSA-N 2 1 358.490 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCc3ncnn32)CC[NH+]1C ZINC001029314073 1189374273 /nfs/dbraw/zinc/37/42/73/1189374273.db2.gz ZVCKGJNVPYQIMH-NQNKBUKLSA-N 2 1 358.490 0.781 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCc3ncnn32)CC[NH+]1C ZINC001029314073 1189374278 /nfs/dbraw/zinc/37/42/78/1189374278.db2.gz ZVCKGJNVPYQIMH-NQNKBUKLSA-N 2 1 358.490 0.781 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCN1CCCC1=O ZINC001087530372 1189393408 /nfs/dbraw/zinc/39/34/08/1189393408.db2.gz XDUFTBMKWJVVMD-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCN1CCCC1=O ZINC001087530372 1189393414 /nfs/dbraw/zinc/39/34/14/1189393414.db2.gz XDUFTBMKWJVVMD-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCN1CCCC1=O ZINC001087530372 1189393419 /nfs/dbraw/zinc/39/34/19/1189393419.db2.gz XDUFTBMKWJVVMD-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCN1CCCC1=O ZINC001087530372 1189393423 /nfs/dbraw/zinc/39/34/23/1189393423.db2.gz XDUFTBMKWJVVMD-BBWFWOEESA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550458516 1189504423 /nfs/dbraw/zinc/50/44/23/1189504423.db2.gz ZDFDIAFVCJANNB-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001075810702 1189530225 /nfs/dbraw/zinc/53/02/25/1189530225.db2.gz SJJDQKMFSYCDJQ-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001075810702 1189530233 /nfs/dbraw/zinc/53/02/33/1189530233.db2.gz SJJDQKMFSYCDJQ-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001075810702 1189530254 /nfs/dbraw/zinc/53/02/54/1189530254.db2.gz SJJDQKMFSYCDJQ-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1Cc1ncccn1 ZINC001087665369 1189718910 /nfs/dbraw/zinc/71/89/10/1189718910.db2.gz LQLKPOSGCXNZTA-XKDHDKOLSA-N 2 1 371.485 0.809 20 0 FCADMP Cc1cncn1CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984261310 1189731478 /nfs/dbraw/zinc/73/14/78/1189731478.db2.gz PYUKWVKEORQKNK-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000984261310 1189731489 /nfs/dbraw/zinc/73/14/89/1189731489.db2.gz PYUKWVKEORQKNK-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000984261310 1189731502 /nfs/dbraw/zinc/73/15/02/1189731502.db2.gz PYUKWVKEORQKNK-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840002504 1189807303 /nfs/dbraw/zinc/80/73/03/1189807303.db2.gz DLVNYGJDXYBYEO-GBESFXJTSA-N 2 1 370.497 0.944 20 0 FCADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299084 1189825460 /nfs/dbraw/zinc/82/54/60/1189825460.db2.gz QPUSOGRPARVVFX-IAGOWNOFSA-N 2 1 366.506 0.746 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000895299084 1189825462 /nfs/dbraw/zinc/82/54/62/1189825462.db2.gz QPUSOGRPARVVFX-IAGOWNOFSA-N 2 1 366.506 0.746 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087797605 1189828026 /nfs/dbraw/zinc/82/80/26/1189828026.db2.gz YGVYDMCSWRYAMS-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087797605 1189828027 /nfs/dbraw/zinc/82/80/27/1189828027.db2.gz YGVYDMCSWRYAMS-HRCADAONSA-N 2 1 364.490 0.446 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895851935 1189888069 /nfs/dbraw/zinc/88/80/69/1189888069.db2.gz ZVHGOCDERJUIFW-SQNIBIBYSA-N 2 1 366.506 0.480 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)cc1=O ZINC001087908545 1189894392 /nfs/dbraw/zinc/89/43/92/1189894392.db2.gz FUFOFCRNOGVVQE-FGTMMUONSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)cc1=O ZINC001087908545 1189894394 /nfs/dbraw/zinc/89/43/94/1189894394.db2.gz FUFOFCRNOGVVQE-FGTMMUONSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)cc1=O ZINC001087908545 1189894396 /nfs/dbraw/zinc/89/43/96/1189894396.db2.gz FUFOFCRNOGVVQE-FGTMMUONSA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]2C1 ZINC001087964300 1190009995 /nfs/dbraw/zinc/00/99/95/1190009995.db2.gz GAWRSLXPPZLXBV-IKGGRYGDSA-N 2 1 360.506 0.968 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087967982 1190024769 /nfs/dbraw/zinc/02/47/69/1190024769.db2.gz VBWCVOVNUDAUFX-FGTMMUONSA-N 2 1 358.490 0.400 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984728782 1190095069 /nfs/dbraw/zinc/09/50/69/1190095069.db2.gz JJFWLTVFOKQUSZ-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984728782 1190095071 /nfs/dbraw/zinc/09/50/71/1190095071.db2.gz JJFWLTVFOKQUSZ-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1)C1CC1 ZINC001087992385 1190142230 /nfs/dbraw/zinc/14/22/30/1190142230.db2.gz RPRKLKVPSBWOQY-CVEARBPZSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1oncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012224 1190209970 /nfs/dbraw/zinc/20/99/70/1190209970.db2.gz YWLGICOLYCUPKJ-LFVTVUPYSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1oncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012224 1190209983 /nfs/dbraw/zinc/20/99/83/1190209983.db2.gz YWLGICOLYCUPKJ-LFVTVUPYSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1oncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012224 1190209989 /nfs/dbraw/zinc/20/99/89/1190209989.db2.gz YWLGICOLYCUPKJ-LFVTVUPYSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1oncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012224 1190209992 /nfs/dbraw/zinc/20/99/92/1190209992.db2.gz YWLGICOLYCUPKJ-LFVTVUPYSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011980 1190211194 /nfs/dbraw/zinc/21/11/94/1190211194.db2.gz NCLVTBTXZCSQET-XLMAVXFVSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011980 1190211201 /nfs/dbraw/zinc/21/12/01/1190211201.db2.gz NCLVTBTXZCSQET-XLMAVXFVSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011980 1190211207 /nfs/dbraw/zinc/21/12/07/1190211207.db2.gz NCLVTBTXZCSQET-XLMAVXFVSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)on1 ZINC001088011980 1190211214 /nfs/dbraw/zinc/21/12/14/1190211214.db2.gz NCLVTBTXZCSQET-XLMAVXFVSA-N 2 1 362.474 0.982 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cncc4C3)C[C@@H]2C1)NC1CC1 ZINC001088017207 1190226164 /nfs/dbraw/zinc/22/61/64/1190226164.db2.gz QGMIGDANOZMCKP-OAGGEKHMSA-N 2 1 371.485 0.504 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@@H]2C1)N1CCC1 ZINC001088018609 1190230317 /nfs/dbraw/zinc/23/03/17/1190230317.db2.gz DTJKUIOJLVMYRL-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@@H]2C1)N1CCC1 ZINC001088018609 1190230321 /nfs/dbraw/zinc/23/03/21/1190230321.db2.gz DTJKUIOJLVMYRL-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)C[C@@H]3C2)C1=O ZINC001088041847 1190300400 /nfs/dbraw/zinc/30/04/00/1190300400.db2.gz MBHQEBFSXAOVLZ-HFTRVMKXSA-N 2 1 367.453 0.959 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088042435 1190301516 /nfs/dbraw/zinc/30/15/16/1190301516.db2.gz ORPFPCMYKCRWBI-CVEARBPZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088042435 1190301519 /nfs/dbraw/zinc/30/15/19/1190301519.db2.gz ORPFPCMYKCRWBI-CVEARBPZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088042888 1190301849 /nfs/dbraw/zinc/30/18/49/1190301849.db2.gz NCYDEAPVWUAQHQ-XHSDSOJGSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088042888 1190301852 /nfs/dbraw/zinc/30/18/52/1190301852.db2.gz NCYDEAPVWUAQHQ-XHSDSOJGSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088042996 1190301914 /nfs/dbraw/zinc/30/19/14/1190301914.db2.gz STJMHIBYJCXXIR-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088042996 1190301919 /nfs/dbraw/zinc/30/19/19/1190301919.db2.gz STJMHIBYJCXXIR-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083903 1190478291 /nfs/dbraw/zinc/47/82/91/1190478291.db2.gz OGCRPTHBVNVSGP-LZWOXQAQSA-N 2 1 362.474 0.870 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985056851 1190484119 /nfs/dbraw/zinc/48/41/19/1190484119.db2.gz RZUNAMYIZVCHNK-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985056851 1190484120 /nfs/dbraw/zinc/48/41/20/1190484120.db2.gz RZUNAMYIZVCHNK-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088106371 1190588733 /nfs/dbraw/zinc/58/87/33/1190588733.db2.gz XWJZBKRBHUYRJL-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088106371 1190588738 /nfs/dbraw/zinc/58/87/38/1190588738.db2.gz XWJZBKRBHUYRJL-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105978 1190592583 /nfs/dbraw/zinc/59/25/83/1190592583.db2.gz JWWOVWQFLJSKEU-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105978 1190592591 /nfs/dbraw/zinc/59/25/91/1190592591.db2.gz JWWOVWQFLJSKEU-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088105978 1190592600 /nfs/dbraw/zinc/59/26/00/1190592600.db2.gz JWWOVWQFLJSKEU-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106039 1190594238 /nfs/dbraw/zinc/59/42/38/1190594238.db2.gz LFXJCSAQOYPKPD-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106039 1190594242 /nfs/dbraw/zinc/59/42/42/1190594242.db2.gz LFXJCSAQOYPKPD-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106039 1190594248 /nfs/dbraw/zinc/59/42/48/1190594248.db2.gz LFXJCSAQOYPKPD-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106039 1190594254 /nfs/dbraw/zinc/59/42/54/1190594254.db2.gz LFXJCSAQOYPKPD-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088110221 1190600845 /nfs/dbraw/zinc/60/08/45/1190600845.db2.gz QXSOTEOGDDTKIF-PMPSAXMXSA-N 2 1 364.490 0.256 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000985164732 1190661862 /nfs/dbraw/zinc/66/18/62/1190661862.db2.gz VZTQQMMNDMNHTB-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC([NH+]2CCC3(C[C@H]3C(=O)NCCN3CCOCC3)CC2)CC1 ZINC001276755885 1224107234 /nfs/dbraw/zinc/10/72/34/1224107234.db2.gz BHEKLJFEADTRDL-SFHVURJKSA-N 2 1 364.534 0.631 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1 ZINC000986125296 1190898721 /nfs/dbraw/zinc/89/87/21/1190898721.db2.gz AROZFPLJZUXBHI-KURKYZTESA-N 2 1 362.518 0.587 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]3C2)CCC1 ZINC000986256648 1190933287 /nfs/dbraw/zinc/93/32/87/1190933287.db2.gz KGDSLMCHCRGAMW-IKGGRYGDSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1)[NH+](C)C ZINC000986482667 1191006473 /nfs/dbraw/zinc/00/64/73/1191006473.db2.gz LVWYDCUZBMLZTA-XDNAFOTISA-N 2 1 364.534 0.974 20 0 FCADMP C[C@H](c1nnnn1C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029965865 1191039521 /nfs/dbraw/zinc/03/95/21/1191039521.db2.gz CWTUYHRYPDMPSA-IIAWOOMASA-N 2 1 363.510 0.782 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001029965865 1191039526 /nfs/dbraw/zinc/03/95/26/1191039526.db2.gz CWTUYHRYPDMPSA-IIAWOOMASA-N 2 1 363.510 0.782 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001029965865 1191039528 /nfs/dbraw/zinc/03/95/28/1191039528.db2.gz CWTUYHRYPDMPSA-IIAWOOMASA-N 2 1 363.510 0.782 20 0 FCADMP C[C@H](c1nnnn1C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029965865 1191039534 /nfs/dbraw/zinc/03/95/34/1191039534.db2.gz CWTUYHRYPDMPSA-IIAWOOMASA-N 2 1 363.510 0.782 20 0 FCADMP C[C@H](c1nnnn1C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029965865 1191039536 /nfs/dbraw/zinc/03/95/36/1191039536.db2.gz CWTUYHRYPDMPSA-IIAWOOMASA-N 2 1 363.510 0.782 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)CC1 ZINC001276765347 1224132773 /nfs/dbraw/zinc/13/27/73/1224132773.db2.gz RSXPRXNTAIYEEV-SFHVURJKSA-N 2 1 372.460 0.730 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088571940 1191207699 /nfs/dbraw/zinc/20/76/99/1191207699.db2.gz SBJADSROMFOQSR-JLSDUUJJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088571940 1191207702 /nfs/dbraw/zinc/20/77/02/1191207702.db2.gz SBJADSROMFOQSR-JLSDUUJJSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001088572015 1191207760 /nfs/dbraw/zinc/20/77/60/1191207760.db2.gz VDHXLPBADGNYIO-NJAFHUGGSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001088572015 1191207762 /nfs/dbraw/zinc/20/77/62/1191207762.db2.gz VDHXLPBADGNYIO-NJAFHUGGSA-N 2 1 362.518 0.920 20 0 FCADMP COCCNC(=O)[C@@H]1Cn2nccc2C[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168319060 1193749785 /nfs/dbraw/zinc/74/97/85/1193749785.db2.gz NDPNBQOKIUGECF-GTPINHCMSA-N 2 1 363.506 0.950 20 0 FCADMP COCCNC(=O)[C@@H]1Cn2nccc2C[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168319060 1193749791 /nfs/dbraw/zinc/74/97/91/1193749791.db2.gz NDPNBQOKIUGECF-GTPINHCMSA-N 2 1 363.506 0.950 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465517 1193765251 /nfs/dbraw/zinc/76/52/51/1193765251.db2.gz HUYKZMIBXJERQW-QRVBRYPASA-N 2 1 359.470 0.698 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465517 1193765252 /nfs/dbraw/zinc/76/52/52/1193765252.db2.gz HUYKZMIBXJERQW-QRVBRYPASA-N 2 1 359.470 0.698 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000550782147 1193793611 /nfs/dbraw/zinc/79/36/11/1193793611.db2.gz RZAFCRJVSKXGLF-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550876223 1193818108 /nfs/dbraw/zinc/81/81/08/1193818108.db2.gz BJJKERFIMZABCT-UHFFFAOYSA-N 2 1 369.554 0.175 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466259 1193819497 /nfs/dbraw/zinc/81/94/97/1193819497.db2.gz MZIFCTTWAJPJJI-QRVBRYPASA-N 2 1 365.518 0.696 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000550956521 1193822180 /nfs/dbraw/zinc/82/21/80/1193822180.db2.gz DZGLTRJCBUZLCM-KRWDZBQOSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000551151917 1193835906 /nfs/dbraw/zinc/83/59/06/1193835906.db2.gz LDXHGLMECWJUGL-HOTGVXAUSA-N 2 1 369.554 0.079 20 0 FCADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001218555946 1224172719 /nfs/dbraw/zinc/17/27/19/1224172719.db2.gz NPUFPSBZFIZBAW-IAGOWNOFSA-N 2 1 372.517 0.846 20 0 FCADMP C[NH+]1CC[C@@H]2OCCN(CCCCN3CCO[C@@H]4CC[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000551931187 1193877180 /nfs/dbraw/zinc/87/71/80/1193877180.db2.gz KWJVXAJWBUNJIQ-LWYYNNOASA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000551931187 1193877181 /nfs/dbraw/zinc/87/71/81/1193877181.db2.gz KWJVXAJWBUNJIQ-LWYYNNOASA-N 2 1 366.550 0.576 20 0 FCADMP C[NH+]1CC[C@H]2OCCN(CCCCN3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000551931187 1193877184 /nfs/dbraw/zinc/87/71/84/1193877184.db2.gz KWJVXAJWBUNJIQ-LWYYNNOASA-N 2 1 366.550 0.576 20 0 FCADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757245 1193891766 /nfs/dbraw/zinc/89/17/66/1193891766.db2.gz PIWSNBAWWFZWOW-DTLYTLAFSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757245 1193891767 /nfs/dbraw/zinc/89/17/67/1193891767.db2.gz PIWSNBAWWFZWOW-DTLYTLAFSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757245 1193891770 /nfs/dbraw/zinc/89/17/70/1193891770.db2.gz PIWSNBAWWFZWOW-DTLYTLAFSA-N 2 1 371.485 0.727 20 0 FCADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757245 1193891771 /nfs/dbraw/zinc/89/17/71/1193891771.db2.gz PIWSNBAWWFZWOW-DTLYTLAFSA-N 2 1 371.485 0.727 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552473289 1193933776 /nfs/dbraw/zinc/93/37/76/1193933776.db2.gz WFQAXLSLSMETDM-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000552473289 1193933778 /nfs/dbraw/zinc/93/37/78/1193933778.db2.gz WFQAXLSLSMETDM-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105668050 1193946471 /nfs/dbraw/zinc/94/64/71/1193946471.db2.gz HCJNIPAHPYKXAZ-VVWQDTPRSA-N 2 1 368.522 0.040 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000552709738 1193948931 /nfs/dbraw/zinc/94/89/31/1193948931.db2.gz MPRUCNRXASRZTP-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000552709738 1193948934 /nfs/dbraw/zinc/94/89/34/1193948934.db2.gz MPRUCNRXASRZTP-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000552709737 1193949059 /nfs/dbraw/zinc/94/90/59/1193949059.db2.gz MPRUCNRXASRZTP-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000552709737 1193949063 /nfs/dbraw/zinc/94/90/63/1193949063.db2.gz MPRUCNRXASRZTP-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552748848 1193949901 /nfs/dbraw/zinc/94/99/01/1193949901.db2.gz KPVHLIUVPIOZBT-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000552748800 1193949967 /nfs/dbraw/zinc/94/99/67/1193949967.db2.gz IWXBHCFLTBJFMH-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000552748800 1193949970 /nfs/dbraw/zinc/94/99/70/1193949970.db2.gz IWXBHCFLTBJFMH-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000552748800 1193949972 /nfs/dbraw/zinc/94/99/72/1193949972.db2.gz IWXBHCFLTBJFMH-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000553025319 1193965584 /nfs/dbraw/zinc/96/55/84/1193965584.db2.gz WWSWISZXWSMDNG-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000553025319 1193965587 /nfs/dbraw/zinc/96/55/87/1193965587.db2.gz WWSWISZXWSMDNG-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000553025319 1193965588 /nfs/dbraw/zinc/96/55/88/1193965588.db2.gz WWSWISZXWSMDNG-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000553366017 1193993075 /nfs/dbraw/zinc/99/30/75/1193993075.db2.gz FEBPLJUHMOCGAU-JKSUJKDBSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734987 1194018739 /nfs/dbraw/zinc/01/87/39/1194018739.db2.gz NRZBMFBVWXRRSP-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000553734987 1194018742 /nfs/dbraw/zinc/01/87/42/1194018742.db2.gz NRZBMFBVWXRRSP-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000553734987 1194018745 /nfs/dbraw/zinc/01/87/45/1194018745.db2.gz NRZBMFBVWXRRSP-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218639770 1224186916 /nfs/dbraw/zinc/18/69/16/1224186916.db2.gz BOYMHXQREYTXCN-SFHVURJKSA-N 3 1 366.469 0.688 20 0 FCADMP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218639770 1224186927 /nfs/dbraw/zinc/18/69/27/1224186927.db2.gz BOYMHXQREYTXCN-SFHVURJKSA-N 3 1 366.469 0.688 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188613 1194085013 /nfs/dbraw/zinc/08/50/13/1194085013.db2.gz IZPAQJVZCVOPMF-PXNSSMCTSA-N 2 1 374.485 0.119 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191461 1194086263 /nfs/dbraw/zinc/08/62/63/1194086263.db2.gz XVKNSSOBQVDQPV-PXNSSMCTSA-N 2 1 358.486 0.822 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228929 1194108390 /nfs/dbraw/zinc/10/83/90/1194108390.db2.gz CNLASKUIDUYQJT-SFHVURJKSA-N 2 1 360.502 0.994 20 0 FCADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076097719 1194306336 /nfs/dbraw/zinc/30/63/36/1194306336.db2.gz XFMWNMQBENEUQO-RYQLBKOJSA-N 2 1 365.437 0.907 20 0 FCADMP COCCOCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276794243 1224207147 /nfs/dbraw/zinc/20/71/47/1224207147.db2.gz FROOXISHMKLZKE-HZPDHXFCSA-N 2 1 371.522 0.574 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2ccnn2-c2cc[nH+]cc2)COC1(C)C ZINC001218742876 1224209561 /nfs/dbraw/zinc/20/95/61/1224209561.db2.gz LDKZHGJEBYZYBQ-AAEUAGOBSA-N 2 1 358.402 0.517 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242929 1194369495 /nfs/dbraw/zinc/36/94/95/1194369495.db2.gz XACYATGHTFSVAV-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242929 1194369500 /nfs/dbraw/zinc/36/95/00/1194369500.db2.gz XACYATGHTFSVAV-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242929 1194369507 /nfs/dbraw/zinc/36/95/07/1194369507.db2.gz XACYATGHTFSVAV-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076242929 1194369512 /nfs/dbraw/zinc/36/95/12/1194369512.db2.gz XACYATGHTFSVAV-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243626 1194370479 /nfs/dbraw/zinc/37/04/79/1194370479.db2.gz AIDUWLLFFSXGHT-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243626 1194370486 /nfs/dbraw/zinc/37/04/86/1194370486.db2.gz AIDUWLLFFSXGHT-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076243626 1194370492 /nfs/dbraw/zinc/37/04/92/1194370492.db2.gz AIDUWLLFFSXGHT-OWCLPIDISA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243972 1194370517 /nfs/dbraw/zinc/37/05/17/1194370517.db2.gz JZDBUOFSPRSJNT-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243972 1194370520 /nfs/dbraw/zinc/37/05/20/1194370520.db2.gz JZDBUOFSPRSJNT-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244648 1194370734 /nfs/dbraw/zinc/37/07/34/1194370734.db2.gz VUNVKJDKADKKIG-FHLIZLRMSA-N 2 1 358.486 0.811 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244648 1194370739 /nfs/dbraw/zinc/37/07/39/1194370739.db2.gz VUNVKJDKADKKIG-FHLIZLRMSA-N 2 1 358.486 0.811 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244650 1194371296 /nfs/dbraw/zinc/37/12/96/1194371296.db2.gz VUNVKJDKADKKIG-JCGIZDLHSA-N 2 1 358.486 0.811 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244650 1194371298 /nfs/dbraw/zinc/37/12/98/1194371298.db2.gz VUNVKJDKADKKIG-JCGIZDLHSA-N 2 1 358.486 0.811 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001076309410 1194391459 /nfs/dbraw/zinc/39/14/59/1194391459.db2.gz QLWAZGCHYHARAZ-HRCADAONSA-N 2 1 359.474 0.770 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001076309410 1194391465 /nfs/dbraw/zinc/39/14/65/1194391465.db2.gz QLWAZGCHYHARAZ-HRCADAONSA-N 2 1 359.474 0.770 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324638 1194396486 /nfs/dbraw/zinc/39/64/86/1194396486.db2.gz XCVNRYPRDQQNMV-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001076324494 1194396720 /nfs/dbraw/zinc/39/67/20/1194396720.db2.gz VIBPLXYMBDUOKJ-FUHWJXTLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076399050 1194456889 /nfs/dbraw/zinc/45/68/89/1194456889.db2.gz UCWQFZSOINVMSU-XYJFISCASA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076399050 1194456895 /nfs/dbraw/zinc/45/68/95/1194456895.db2.gz UCWQFZSOINVMSU-XYJFISCASA-N 2 1 362.518 0.918 20 0 FCADMP Cc1noc(CN2CC[C@]3(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)n1 ZINC001276795411 1224218912 /nfs/dbraw/zinc/21/89/12/1224218912.db2.gz IQNWEPJJYACGRV-KDOFPFPSSA-N 2 1 365.478 0.551 20 0 FCADMP CCOC(=O)[C@H]1CN(C)C(=O)C12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001276795494 1224219698 /nfs/dbraw/zinc/21/96/98/1224219698.db2.gz LCQBTKITHQBEQQ-HUUCEWRRSA-N 2 1 369.506 0.469 20 0 FCADMP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076447172 1194501585 /nfs/dbraw/zinc/50/15/85/1194501585.db2.gz UQIVJGUTUJGINT-RCCFBDPRSA-N 2 1 360.502 0.530 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461991 1194507045 /nfs/dbraw/zinc/50/70/45/1194507045.db2.gz DSODUZNJEOQJSW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461991 1194507057 /nfs/dbraw/zinc/50/70/57/1194507057.db2.gz DSODUZNJEOQJSW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461991 1194507065 /nfs/dbraw/zinc/50/70/65/1194507065.db2.gz DSODUZNJEOQJSW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076461991 1194507076 /nfs/dbraw/zinc/50/70/76/1194507076.db2.gz DSODUZNJEOQJSW-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462518 1194508334 /nfs/dbraw/zinc/50/83/34/1194508334.db2.gz XWNXPYJISGDXNQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462518 1194508343 /nfs/dbraw/zinc/50/83/43/1194508343.db2.gz XWNXPYJISGDXNQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462518 1194508358 /nfs/dbraw/zinc/50/83/58/1194508358.db2.gz XWNXPYJISGDXNQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462518 1194508365 /nfs/dbraw/zinc/50/83/65/1194508365.db2.gz XWNXPYJISGDXNQ-YQQAZPJKSA-N 2 1 359.474 0.860 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789970 1224223716 /nfs/dbraw/zinc/22/37/16/1224223716.db2.gz YZGTVHAMVIGDTR-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789970 1224223726 /nfs/dbraw/zinc/22/37/26/1224223726.db2.gz YZGTVHAMVIGDTR-ZWKOTPCHSA-N 2 1 369.506 0.437 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@@H]21 ZINC001218820032 1224231398 /nfs/dbraw/zinc/23/13/98/1224231398.db2.gz UYPAUDRLDDJYDL-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2O)n1 ZINC001077014201 1195148569 /nfs/dbraw/zinc/14/85/69/1195148569.db2.gz ISIAFWIXVTVYHO-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2O)n1 ZINC001077014376 1195148692 /nfs/dbraw/zinc/14/86/92/1195148692.db2.gz SSPBZTHVQMPEDJ-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@H]2O)CC[N@H+]1C ZINC001077027271 1195157308 /nfs/dbraw/zinc/15/73/08/1195157308.db2.gz FOMOIWKFNYNCPK-BSDSXHPESA-N 2 1 363.506 0.337 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2O)CC[NH+]1C ZINC001077027271 1195157317 /nfs/dbraw/zinc/15/73/17/1195157317.db2.gz FOMOIWKFNYNCPK-BSDSXHPESA-N 2 1 363.506 0.337 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]2O)CC[NH+]1C ZINC001077027271 1195157326 /nfs/dbraw/zinc/15/73/26/1195157326.db2.gz FOMOIWKFNYNCPK-BSDSXHPESA-N 2 1 363.506 0.337 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1O ZINC001077131615 1195248215 /nfs/dbraw/zinc/24/82/15/1195248215.db2.gz ILSRFASXLRWLCW-RCCFBDPRSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077131615 1195248220 /nfs/dbraw/zinc/24/82/20/1195248220.db2.gz ILSRFASXLRWLCW-RCCFBDPRSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077131615 1195248226 /nfs/dbraw/zinc/24/82/26/1195248226.db2.gz ILSRFASXLRWLCW-RCCFBDPRSA-N 2 1 363.506 0.387 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]2O)O1 ZINC001083565501 1195268911 /nfs/dbraw/zinc/26/89/11/1195268911.db2.gz WOQBSLUKOIVYSS-PPRPKMEESA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]2O)O1 ZINC001083565501 1195268917 /nfs/dbraw/zinc/26/89/17/1195268917.db2.gz WOQBSLUKOIVYSS-PPRPKMEESA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]2O)O1 ZINC001083565501 1195268923 /nfs/dbraw/zinc/26/89/23/1195268923.db2.gz WOQBSLUKOIVYSS-PPRPKMEESA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)O1 ZINC001083565501 1195268934 /nfs/dbraw/zinc/26/89/34/1195268934.db2.gz WOQBSLUKOIVYSS-PPRPKMEESA-N 2 1 373.497 0.944 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CC1CC[NH+](C)CC1 ZINC001077149412 1195272636 /nfs/dbraw/zinc/27/26/36/1195272636.db2.gz ZHOIRZGYFVQGPJ-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CC1CC[NH+](C)CC1 ZINC001077149412 1195272640 /nfs/dbraw/zinc/27/26/40/1195272640.db2.gz ZHOIRZGYFVQGPJ-ZMSDIMECSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218966073 1224275548 /nfs/dbraw/zinc/27/55/48/1224275548.db2.gz VBABUJOMHCQBNP-ZWKOTPCHSA-N 2 1 371.522 0.539 20 0 FCADMP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218966073 1224275554 /nfs/dbraw/zinc/27/55/54/1224275554.db2.gz VBABUJOMHCQBNP-ZWKOTPCHSA-N 2 1 371.522 0.539 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366655 1195466063 /nfs/dbraw/zinc/46/60/63/1195466063.db2.gz UKSHAEMLEYTJHV-BMGDILEWSA-N 2 1 371.441 0.469 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cn1 ZINC001077395880 1195492765 /nfs/dbraw/zinc/49/27/65/1195492765.db2.gz FSKJCVJUIALXPH-QZTJIDSGSA-N 2 1 368.441 0.568 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cn1 ZINC001077395880 1195492768 /nfs/dbraw/zinc/49/27/68/1195492768.db2.gz FSKJCVJUIALXPH-QZTJIDSGSA-N 2 1 368.441 0.568 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417937 1195515987 /nfs/dbraw/zinc/51/59/87/1195515987.db2.gz FFYFCWKXOSFZLV-SYJBPTKTSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077417937 1195515996 /nfs/dbraw/zinc/51/59/96/1195515996.db2.gz FFYFCWKXOSFZLV-SYJBPTKTSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077417937 1195516000 /nfs/dbraw/zinc/51/60/00/1195516000.db2.gz FFYFCWKXOSFZLV-SYJBPTKTSA-N 2 1 361.486 0.511 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417802 1195516052 /nfs/dbraw/zinc/51/60/52/1195516052.db2.gz AVANFNWAYHQMCJ-ARCLZCIDSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417802 1195516057 /nfs/dbraw/zinc/51/60/57/1195516057.db2.gz AVANFNWAYHQMCJ-ARCLZCIDSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417802 1195516062 /nfs/dbraw/zinc/51/60/62/1195516062.db2.gz AVANFNWAYHQMCJ-ARCLZCIDSA-N 2 1 371.481 0.520 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580089 1195528250 /nfs/dbraw/zinc/52/82/50/1195528250.db2.gz PNWYIROTRXIPDO-QRQLOZEOSA-N 2 1 354.454 0.850 20 0 FCADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905046416 1195572074 /nfs/dbraw/zinc/57/20/74/1195572074.db2.gz ADFOGQMGVZSYQZ-UXHICEINSA-N 2 1 363.502 0.426 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591117 1195586350 /nfs/dbraw/zinc/58/63/50/1195586350.db2.gz LVPKBACDJRSDKE-OLMNPRSZSA-N 2 1 358.442 0.844 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221903 1195617243 /nfs/dbraw/zinc/61/72/43/1195617243.db2.gz XHLBEBHTUTZNGV-SJORKVTESA-N 2 1 361.490 0.721 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906219238 1195617545 /nfs/dbraw/zinc/61/75/45/1195617545.db2.gz QZAQXCQMRYCUOW-OAHLLOKOSA-N 2 1 363.462 0.058 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906219238 1195617549 /nfs/dbraw/zinc/61/75/49/1195617549.db2.gz QZAQXCQMRYCUOW-OAHLLOKOSA-N 2 1 363.462 0.058 20 0 FCADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000906785105 1195664436 /nfs/dbraw/zinc/66/44/36/1195664436.db2.gz DVBSIIVRXWGARN-FXAWDEMLSA-N 2 1 374.529 0.886 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000907350514 1195690433 /nfs/dbraw/zinc/69/04/33/1195690433.db2.gz FNCNSLRVAKMTKR-KKUMJFAQSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000907350514 1195690437 /nfs/dbraw/zinc/69/04/37/1195690437.db2.gz FNCNSLRVAKMTKR-KKUMJFAQSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000907350514 1195690441 /nfs/dbraw/zinc/69/04/41/1195690441.db2.gz FNCNSLRVAKMTKR-KKUMJFAQSA-N 2 1 368.522 0.325 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633222 1195806656 /nfs/dbraw/zinc/80/66/56/1195806656.db2.gz NNWSDEUZAOURJR-XYPHTWIQSA-N 2 1 357.414 0.079 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)(N2CCOCC2)CC1 ZINC000910406480 1195813912 /nfs/dbraw/zinc/81/39/12/1195813912.db2.gz SNBXCNPROAQHMN-MSOLQXFVSA-N 2 1 364.534 0.916 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910836694 1195849069 /nfs/dbraw/zinc/84/90/69/1195849069.db2.gz IUJZFBAXAIDOAL-MRXNPFEDSA-N 2 1 359.474 0.719 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219037331 1224308749 /nfs/dbraw/zinc/30/87/49/1224308749.db2.gz DPVMVCALEJSPCF-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219037331 1224308754 /nfs/dbraw/zinc/30/87/54/1224308754.db2.gz DPVMVCALEJSPCF-IXDOHACOSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911123287 1195892712 /nfs/dbraw/zinc/89/27/12/1195892712.db2.gz HBQNBHJRRBVQDW-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000911149855 1195898912 /nfs/dbraw/zinc/89/89/12/1195898912.db2.gz OICYLQGGCYUPOK-MRXNPFEDSA-N 2 1 374.485 0.946 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911148921 1195898940 /nfs/dbraw/zinc/89/89/40/1195898940.db2.gz SVTKTSPIJXXSFJ-SFHVURJKSA-N 2 1 358.486 0.809 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911148921 1195898943 /nfs/dbraw/zinc/89/89/43/1195898943.db2.gz SVTKTSPIJXXSFJ-SFHVURJKSA-N 2 1 358.486 0.809 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000911149854 1195899023 /nfs/dbraw/zinc/89/90/23/1195899023.db2.gz OICYLQGGCYUPOK-INIZCTEOSA-N 2 1 374.485 0.946 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360970 1196321390 /nfs/dbraw/zinc/32/13/90/1196321390.db2.gz OLTLRJXSVGSKGW-CBZIJGRNSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCn2cncn2)CC3)O1 ZINC000991360970 1196321394 /nfs/dbraw/zinc/32/13/94/1196321394.db2.gz OLTLRJXSVGSKGW-CBZIJGRNSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCn2cncn2)CC3)O1 ZINC000991360970 1196321398 /nfs/dbraw/zinc/32/13/98/1196321398.db2.gz OLTLRJXSVGSKGW-CBZIJGRNSA-N 2 1 362.478 0.110 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)O1 ZINC000991360970 1196321402 /nfs/dbraw/zinc/32/14/02/1196321402.db2.gz OLTLRJXSVGSKGW-CBZIJGRNSA-N 2 1 362.478 0.110 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC([NH+]2CCCC2)C1 ZINC000912325187 1196340395 /nfs/dbraw/zinc/34/03/95/1196340395.db2.gz RGGLPLSQJKEOHR-QGZVFWFLSA-N 2 1 364.490 0.006 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)CC1 ZINC001030330218 1196682453 /nfs/dbraw/zinc/68/24/53/1196682453.db2.gz SZRDEHNDVAIDKM-LZQZEXGQSA-N 2 1 365.518 0.960 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000594104842 1196688509 /nfs/dbraw/zinc/68/85/09/1196688509.db2.gz MOMYWYWOIVHAPJ-MRXNPFEDSA-N 2 1 374.489 0.689 20 0 FCADMP NC(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000594104842 1196688514 /nfs/dbraw/zinc/68/85/14/1196688514.db2.gz MOMYWYWOIVHAPJ-MRXNPFEDSA-N 2 1 374.489 0.689 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736326 1196735389 /nfs/dbraw/zinc/73/53/89/1196735389.db2.gz AIIQCGGZJUTVLB-MJGOQNOKSA-N 3 1 358.486 0.905 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736326 1196735393 /nfs/dbraw/zinc/73/53/93/1196735393.db2.gz AIIQCGGZJUTVLB-MJGOQNOKSA-N 3 1 358.486 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105973826 1196760950 /nfs/dbraw/zinc/76/09/50/1196760950.db2.gz DGGWKSFDBRAPNI-BZUAXINKSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105973826 1196760955 /nfs/dbraw/zinc/76/09/55/1196760955.db2.gz DGGWKSFDBRAPNI-BZUAXINKSA-N 2 1 368.522 0.163 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088861207 1196806251 /nfs/dbraw/zinc/80/62/51/1196806251.db2.gz UYEDTDVXNNJIJA-UNEWFSDZSA-N 2 1 357.462 0.625 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088861207 1196806253 /nfs/dbraw/zinc/80/62/53/1196806253.db2.gz UYEDTDVXNNJIJA-UNEWFSDZSA-N 2 1 357.462 0.625 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccnn1C ZINC001088912579 1196834366 /nfs/dbraw/zinc/83/43/66/1196834366.db2.gz GIFVJCZZMNHYMR-PBHICJAKSA-N 2 1 359.478 0.571 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccnn1C ZINC001088912579 1196834371 /nfs/dbraw/zinc/83/43/71/1196834371.db2.gz GIFVJCZZMNHYMR-PBHICJAKSA-N 2 1 359.478 0.571 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc2c(c1)nnn2C ZINC001089037726 1196872361 /nfs/dbraw/zinc/87/23/61/1196872361.db2.gz PAKYOIOVPADHSC-BMFZPTHFSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc2c(c1)nnn2C ZINC001089037726 1196872362 /nfs/dbraw/zinc/87/23/62/1196872362.db2.gz PAKYOIOVPADHSC-BMFZPTHFSA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc2c(c1)nnn2C ZINC001089037726 1196872365 /nfs/dbraw/zinc/87/23/65/1196872365.db2.gz PAKYOIOVPADHSC-BMFZPTHFSA-N 2 1 356.474 0.999 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052847 1196876145 /nfs/dbraw/zinc/87/61/45/1196876145.db2.gz AHPIBDHHMWOPMQ-KBMXLJTQSA-N 2 1 365.478 0.610 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052847 1196876146 /nfs/dbraw/zinc/87/61/46/1196876146.db2.gz AHPIBDHHMWOPMQ-KBMXLJTQSA-N 2 1 365.478 0.610 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052847 1196876147 /nfs/dbraw/zinc/87/61/47/1196876147.db2.gz AHPIBDHHMWOPMQ-KBMXLJTQSA-N 2 1 365.478 0.610 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052847 1196876150 /nfs/dbraw/zinc/87/61/50/1196876150.db2.gz AHPIBDHHMWOPMQ-KBMXLJTQSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)C2 ZINC000992319681 1197067260 /nfs/dbraw/zinc/06/72/60/1197067260.db2.gz QUDNPBCESLVKDT-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)C2 ZINC000992319681 1197067263 /nfs/dbraw/zinc/06/72/63/1197067263.db2.gz QUDNPBCESLVKDT-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5c[nH+]cn54)CC3)[C@@H]2C1 ZINC001272447401 1197082300 /nfs/dbraw/zinc/08/23/00/1197082300.db2.gz XGXZIFMTVMJONV-BZUAXINKSA-N 2 1 357.458 0.429 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5c[nH+]cn54)CC3)[C@@H]2C1 ZINC001272447401 1197082303 /nfs/dbraw/zinc/08/23/03/1197082303.db2.gz XGXZIFMTVMJONV-BZUAXINKSA-N 2 1 357.458 0.429 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000992687481 1197302563 /nfs/dbraw/zinc/30/25/63/1197302563.db2.gz KFZGJFKWMGRYPK-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992698285 1197309152 /nfs/dbraw/zinc/30/91/52/1197309152.db2.gz GNEGBJRZHUKJHQ-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992698285 1197309154 /nfs/dbraw/zinc/30/91/54/1197309154.db2.gz GNEGBJRZHUKJHQ-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001219262411 1224406511 /nfs/dbraw/zinc/40/65/11/1224406511.db2.gz WLRAIQHDNBXOBP-WFASDCNBSA-N 2 1 360.414 0.371 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC000992991780 1197652141 /nfs/dbraw/zinc/65/21/41/1197652141.db2.gz XBOMRZPAYAACOX-VIPLHTEESA-N 2 1 373.501 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC000992991780 1197652142 /nfs/dbraw/zinc/65/21/42/1197652142.db2.gz XBOMRZPAYAACOX-VIPLHTEESA-N 2 1 373.501 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085217883 1197692919 /nfs/dbraw/zinc/69/29/19/1197692919.db2.gz WCINTYWHSDTJLV-ZACQAIPSSA-N 2 1 365.522 0.903 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C ZINC001085225243 1197700584 /nfs/dbraw/zinc/70/05/84/1197700584.db2.gz OCSCJBWWTSVDRC-BZUAXINKSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085225243 1197700603 /nfs/dbraw/zinc/70/06/03/1197700603.db2.gz OCSCJBWWTSVDRC-BZUAXINKSA-N 2 1 363.510 0.990 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085225243 1197700620 /nfs/dbraw/zinc/70/06/20/1197700620.db2.gz OCSCJBWWTSVDRC-BZUAXINKSA-N 2 1 363.510 0.990 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085243195 1197741310 /nfs/dbraw/zinc/74/13/10/1197741310.db2.gz YUKMPWIHKXZLFR-MWQQHZPXSA-N 2 1 364.494 0.534 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085243195 1197741320 /nfs/dbraw/zinc/74/13/20/1197741320.db2.gz YUKMPWIHKXZLFR-MWQQHZPXSA-N 2 1 364.494 0.534 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNC2=O)no1 ZINC001085252840 1197751804 /nfs/dbraw/zinc/75/18/04/1197751804.db2.gz JYNRVQWEESKIJC-RBSFLKMASA-N 2 1 363.462 0.645 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2)c1nnnn1C ZINC001085258059 1197757661 /nfs/dbraw/zinc/75/76/61/1197757661.db2.gz OCGBNYWXLMDEFC-RBSFLKMASA-N 2 1 361.494 0.917 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249938 1197783470 /nfs/dbraw/zinc/78/34/70/1197783470.db2.gz UQQKJAHPOLTSQQ-OAGGEKHMSA-N 2 1 361.490 0.923 20 0 FCADMP CCN(C)C(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371067 1197800039 /nfs/dbraw/zinc/80/00/39/1197800039.db2.gz GZHCMHHMOUWADA-NVXWUHKLSA-N 2 1 368.522 0.090 20 0 FCADMP CCN(C)C(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371067 1197800041 /nfs/dbraw/zinc/80/00/41/1197800041.db2.gz GZHCMHHMOUWADA-NVXWUHKLSA-N 2 1 368.522 0.090 20 0 FCADMP CCN(C)C(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371067 1197800042 /nfs/dbraw/zinc/80/00/42/1197800042.db2.gz GZHCMHHMOUWADA-NVXWUHKLSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085332838 1197826157 /nfs/dbraw/zinc/82/61/57/1197826157.db2.gz OYPRCGFFGDQPBQ-NUEKZKHPSA-N 2 1 361.494 0.867 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085332838 1197826158 /nfs/dbraw/zinc/82/61/58/1197826158.db2.gz OYPRCGFFGDQPBQ-NUEKZKHPSA-N 2 1 361.494 0.867 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106336495 1197868301 /nfs/dbraw/zinc/86/83/01/1197868301.db2.gz RDDHZZRGTVKBMU-HUUCEWRRSA-N 2 1 366.506 0.550 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106340249 1197870218 /nfs/dbraw/zinc/87/02/18/1197870218.db2.gz QBEYFWANIFVLNW-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085429176 1197896164 /nfs/dbraw/zinc/89/61/64/1197896164.db2.gz IVZWQTLZMHTHIS-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085429176 1197896169 /nfs/dbraw/zinc/89/61/69/1197896169.db2.gz IVZWQTLZMHTHIS-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431991 1197921594 /nfs/dbraw/zinc/92/15/94/1197921594.db2.gz OZIBOTBQROZXOV-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106433146 1197923187 /nfs/dbraw/zinc/92/31/87/1197923187.db2.gz CCSYOTLVDSVGQF-DJIMGWMZSA-N 2 1 360.462 0.133 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106434988 1197924723 /nfs/dbraw/zinc/92/47/23/1197924723.db2.gz GKTZSLKWBJFJQM-BZUAXINKSA-N 2 1 364.490 0.453 20 0 FCADMP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106477027 1197958066 /nfs/dbraw/zinc/95/80/66/1197958066.db2.gz DXJPYZFPGUTTAD-HUUCEWRRSA-N 2 1 363.510 0.659 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cn1 ZINC000737262418 1197963996 /nfs/dbraw/zinc/96/39/96/1197963996.db2.gz KYUUFOVYFVEQFV-UHFFFAOYSA-N 2 1 356.430 0.972 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577373 1198020947 /nfs/dbraw/zinc/02/09/47/1198020947.db2.gz HTCBCGWYQMLADM-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577373 1198020955 /nfs/dbraw/zinc/02/09/55/1198020955.db2.gz HTCBCGWYQMLADM-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404578 1198133704 /nfs/dbraw/zinc/13/37/04/1198133704.db2.gz PZYGJAPPTUPQGQ-JFIYKMOQSA-N 2 1 371.522 0.152 20 0 FCADMP C[C@@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404578 1198133724 /nfs/dbraw/zinc/13/37/24/1198133724.db2.gz PZYGJAPPTUPQGQ-JFIYKMOQSA-N 2 1 371.522 0.152 20 0 FCADMP C[C@@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404578 1198133735 /nfs/dbraw/zinc/13/37/35/1198133735.db2.gz PZYGJAPPTUPQGQ-JFIYKMOQSA-N 2 1 371.522 0.152 20 0 FCADMP C[C@@H](O)CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404578 1198133762 /nfs/dbraw/zinc/13/37/62/1198133762.db2.gz PZYGJAPPTUPQGQ-JFIYKMOQSA-N 2 1 371.522 0.152 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403458 1198208953 /nfs/dbraw/zinc/20/89/53/1198208953.db2.gz HYSJFFVKCAXCJJ-DNVCBOLYSA-N 2 1 366.506 0.251 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001129327245 1198234552 /nfs/dbraw/zinc/23/45/52/1198234552.db2.gz QPUSQFBVANZHTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001129327245 1198234563 /nfs/dbraw/zinc/23/45/63/1198234563.db2.gz QPUSQFBVANZHTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001129327245 1198234573 /nfs/dbraw/zinc/23/45/73/1198234573.db2.gz QPUSQFBVANZHTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001129327245 1198234582 /nfs/dbraw/zinc/23/45/82/1198234582.db2.gz QPUSQFBVANZHTE-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@H]([NH3+])c1cccnc1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497906 1224488013 /nfs/dbraw/zinc/48/80/13/1224488013.db2.gz JSEMXQGSQCIZEY-VQIMIIECSA-N 2 1 367.409 0.912 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]1COC(C)(C)[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503345 1224490257 /nfs/dbraw/zinc/49/02/57/1224490257.db2.gz HHYNJWAEMPUFQQ-UGSOOPFHSA-N 2 1 360.414 0.541 20 0 FCADMP C[NH+]1CCN(c2nccnc2-n2nnc(-c3cccc(C[NH3+])c3)n2)CC1 ZINC001168878484 1199038493 /nfs/dbraw/zinc/03/84/93/1199038493.db2.gz CPAHSOKEQYERCL-UHFFFAOYSA-N 2 1 351.418 0.330 20 0 FCADMP CC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1 ZINC001169547822 1199071837 /nfs/dbraw/zinc/07/18/37/1199071837.db2.gz WNINLLCKUUZRTJ-XUVXKRRUSA-N 2 1 364.534 0.868 20 0 FCADMP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652375 1224546151 /nfs/dbraw/zinc/54/61/51/1224546151.db2.gz WABMYHVNTHDGFQ-IBQUMJASSA-N 2 1 363.506 0.966 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723124 1224575928 /nfs/dbraw/zinc/57/59/28/1224575928.db2.gz JDALPUYNAUTVMM-OALUTQOASA-N 4 1 373.545 0.671 20 0 FCADMP N[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727159 1224580076 /nfs/dbraw/zinc/58/00/76/1224580076.db2.gz YEVBSUYTYJDGKH-RXVVDRJESA-N 3 1 371.529 0.295 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C2)cn1 ZINC001219732335 1224583240 /nfs/dbraw/zinc/58/32/40/1224583240.db2.gz SGCOKOJWBHNQPV-ZACQAIPSSA-N 2 1 369.485 0.287 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C2)cn1 ZINC001219732335 1224583248 /nfs/dbraw/zinc/58/32/48/1224583248.db2.gz SGCOKOJWBHNQPV-ZACQAIPSSA-N 2 1 369.485 0.287 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294519 1200153643 /nfs/dbraw/zinc/15/36/43/1200153643.db2.gz QWXGZINSUIEYPN-OWSLCNJRSA-N 2 1 362.518 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294519 1200153648 /nfs/dbraw/zinc/15/36/48/1200153648.db2.gz QWXGZINSUIEYPN-OWSLCNJRSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001109408696 1200256055 /nfs/dbraw/zinc/25/60/55/1200256055.db2.gz WXHZNUIPGLABBM-OWSLCNJRSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001109408696 1200256062 /nfs/dbraw/zinc/25/60/62/1200256062.db2.gz WXHZNUIPGLABBM-OWSLCNJRSA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001109408696 1200256070 /nfs/dbraw/zinc/25/60/70/1200256070.db2.gz WXHZNUIPGLABBM-OWSLCNJRSA-N 2 1 361.490 0.450 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428245 1200270978 /nfs/dbraw/zinc/27/09/78/1200270978.db2.gz VHZNGDWYOQFHJK-OWSLCNJRSA-N 2 1 368.522 0.447 20 0 FCADMP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)Cc1c[nH]c2ccccc12 ZINC001219764787 1224601140 /nfs/dbraw/zinc/60/11/40/1224601140.db2.gz LOWOFNDHJJYGNR-PVAVHDDUSA-N 2 1 355.486 0.838 20 0 FCADMP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)Cc1c[nH]c2ccccc12 ZINC001219764787 1224601144 /nfs/dbraw/zinc/60/11/44/1224601144.db2.gz LOWOFNDHJJYGNR-PVAVHDDUSA-N 2 1 355.486 0.838 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1)c1cc[nH+]cc1 ZINC001109469801 1200312296 /nfs/dbraw/zinc/31/22/96/1200312296.db2.gz LVENTMRWFYZUNV-SQNIBIBYSA-N 2 1 371.485 0.908 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1)c1cc[nH+]cc1 ZINC001109469801 1200312303 /nfs/dbraw/zinc/31/23/03/1200312303.db2.gz LVENTMRWFYZUNV-SQNIBIBYSA-N 2 1 371.485 0.908 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109473128 1200315020 /nfs/dbraw/zinc/31/50/20/1200315020.db2.gz WZKNEBRAQJPIFT-WCZJQEMASA-N 2 1 358.442 0.985 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001109485051 1200326660 /nfs/dbraw/zinc/32/66/60/1200326660.db2.gz IENYYRRBAQIBOQ-IKGGRYGDSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001109485051 1200326667 /nfs/dbraw/zinc/32/66/67/1200326667.db2.gz IENYYRRBAQIBOQ-IKGGRYGDSA-N 2 1 360.502 0.863 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512727 1200352849 /nfs/dbraw/zinc/35/28/49/1200352849.db2.gz WSHODMRXZLFZOT-FZCLSBEQSA-N 2 1 371.441 0.610 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650141 1200442364 /nfs/dbraw/zinc/44/23/64/1200442364.db2.gz UUQZBSVKDZOZDO-QZWWFDLISA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001109672614 1200460430 /nfs/dbraw/zinc/46/04/30/1200460430.db2.gz MXBMSCGQJYJSAE-LMSBXDPUSA-N 2 1 365.474 0.830 20 0 FCADMP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001109735754 1200494987 /nfs/dbraw/zinc/49/49/87/1200494987.db2.gz VLHBQZMUCRAEJC-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001109735754 1200494990 /nfs/dbraw/zinc/49/49/90/1200494990.db2.gz VLHBQZMUCRAEJC-YVSFHVDLSA-N 2 1 366.506 0.297 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1cccnc1N1CC[NH2+]CC1 ZINC001219797640 1224616933 /nfs/dbraw/zinc/61/69/33/1224616933.db2.gz CAJMOFJUXQSXJL-UHFFFAOYSA-N 2 1 372.517 0.437 20 0 FCADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822344 1200545275 /nfs/dbraw/zinc/54/52/75/1200545275.db2.gz KFIMEINOTUQRHP-BGTYHANMSA-N 2 1 363.506 0.941 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219796320 1224617569 /nfs/dbraw/zinc/61/75/69/1224617569.db2.gz VMEKNILJWKWTDP-RTBURBONSA-N 2 1 363.550 0.535 20 0 FCADMP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@H]1CC1(F)F ZINC001109847893 1200559185 /nfs/dbraw/zinc/55/91/85/1200559185.db2.gz MRAUFKCHJOPNKY-UGUYLWEFSA-N 2 1 373.444 0.854 20 0 FCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902699 1200602403 /nfs/dbraw/zinc/60/24/03/1200602403.db2.gz XCEWVLCJLYUMBI-IWCQGFGOSA-N 2 1 364.490 0.049 20 0 FCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902699 1200602409 /nfs/dbraw/zinc/60/24/09/1200602409.db2.gz XCEWVLCJLYUMBI-IWCQGFGOSA-N 2 1 364.490 0.049 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109932305 1200617517 /nfs/dbraw/zinc/61/75/17/1200617517.db2.gz FTUDOMDGGBAZMO-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109932305 1200617523 /nfs/dbraw/zinc/61/75/23/1200617523.db2.gz FTUDOMDGGBAZMO-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109932305 1200617528 /nfs/dbraw/zinc/61/75/28/1200617528.db2.gz FTUDOMDGGBAZMO-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109932305 1200617533 /nfs/dbraw/zinc/61/75/33/1200617533.db2.gz FTUDOMDGGBAZMO-NCOADZHNSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1noc(CCC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977317 1200659872 /nfs/dbraw/zinc/65/98/72/1200659872.db2.gz DDTRHTGURMWVAB-PMPSAXMXSA-N 2 1 365.478 0.610 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110005862 1200693604 /nfs/dbraw/zinc/69/36/04/1200693604.db2.gz HOQMAZWUBRZCAL-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110005862 1200693608 /nfs/dbraw/zinc/69/36/08/1200693608.db2.gz HOQMAZWUBRZCAL-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002586 1200695305 /nfs/dbraw/zinc/69/53/05/1200695305.db2.gz MGZVDGZIWLSNMO-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002586 1200695308 /nfs/dbraw/zinc/69/53/08/1200695308.db2.gz MGZVDGZIWLSNMO-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219811899 1224628399 /nfs/dbraw/zinc/62/83/99/1224628399.db2.gz BOTHZFWUHRSYBG-MOPGFXCFSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219811899 1224628405 /nfs/dbraw/zinc/62/84/05/1224628405.db2.gz BOTHZFWUHRSYBG-MOPGFXCFSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219811899 1224628409 /nfs/dbraw/zinc/62/84/09/1224628409.db2.gz BOTHZFWUHRSYBG-MOPGFXCFSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219811899 1224628412 /nfs/dbraw/zinc/62/84/12/1224628412.db2.gz BOTHZFWUHRSYBG-MOPGFXCFSA-N 2 1 360.502 0.898 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)nc(C)[nH+]1 ZINC001090435854 1200740591 /nfs/dbraw/zinc/74/05/91/1200740591.db2.gz XCCCWGIPNKEJQF-IAGOWNOFSA-N 2 1 361.490 0.889 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112557725 1200784173 /nfs/dbraw/zinc/78/41/73/1200784173.db2.gz UVYGXHDUODFKTP-DOXZYTNZSA-N 2 1 364.490 0.352 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112567705 1200802361 /nfs/dbraw/zinc/80/23/61/1200802361.db2.gz DCXASCXHALLWOE-GLJUWKHASA-N 2 1 367.494 0.130 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578834 1200817716 /nfs/dbraw/zinc/81/77/16/1200817716.db2.gz JBBNCZILOFZSQJ-ZWOKBUDYSA-N 2 1 364.534 0.929 20 0 FCADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368832 1201074862 /nfs/dbraw/zinc/07/48/62/1201074862.db2.gz KDJGKEJAQWVVCC-YJBOKZPZSA-N 2 1 360.462 0.864 20 0 FCADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368832 1201074870 /nfs/dbraw/zinc/07/48/70/1201074870.db2.gz KDJGKEJAQWVVCC-YJBOKZPZSA-N 2 1 360.462 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC001086589177 1201098238 /nfs/dbraw/zinc/09/82/38/1201098238.db2.gz LZYXUILPKRHQRD-OQIJWPOYSA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001086589177 1201098242 /nfs/dbraw/zinc/09/82/42/1201098242.db2.gz LZYXUILPKRHQRD-OQIJWPOYSA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086589177 1201098249 /nfs/dbraw/zinc/09/82/49/1201098249.db2.gz LZYXUILPKRHQRD-OQIJWPOYSA-N 2 1 372.513 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086589177 1201098255 /nfs/dbraw/zinc/09/82/55/1201098255.db2.gz LZYXUILPKRHQRD-OQIJWPOYSA-N 2 1 372.513 0.999 20 0 FCADMP COCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086595090 1201128443 /nfs/dbraw/zinc/12/84/43/1201128443.db2.gz KHAQHVMQONYUOY-QXCFHYIPSA-N 2 1 361.486 0.936 20 0 FCADMP COCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086595090 1201128452 /nfs/dbraw/zinc/12/84/52/1201128452.db2.gz KHAQHVMQONYUOY-QXCFHYIPSA-N 2 1 361.486 0.936 20 0 FCADMP COCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086595090 1201128463 /nfs/dbraw/zinc/12/84/63/1201128463.db2.gz KHAQHVMQONYUOY-QXCFHYIPSA-N 2 1 361.486 0.936 20 0 FCADMP COCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086595090 1201128470 /nfs/dbraw/zinc/12/84/70/1201128470.db2.gz KHAQHVMQONYUOY-QXCFHYIPSA-N 2 1 361.486 0.936 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000793737390 1201262837 /nfs/dbraw/zinc/26/28/37/1201262837.db2.gz IHJMNFZBGWBLCT-CVEARBPZSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000793846172 1201268641 /nfs/dbraw/zinc/26/86/41/1201268641.db2.gz STDXPKWBKYXFSQ-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000793846172 1201268648 /nfs/dbraw/zinc/26/86/48/1201268648.db2.gz STDXPKWBKYXFSQ-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459891 1201326083 /nfs/dbraw/zinc/32/60/83/1201326083.db2.gz BBEDMQMRLBNOCG-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459891 1201326089 /nfs/dbraw/zinc/32/60/89/1201326089.db2.gz BBEDMQMRLBNOCG-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459891 1201326095 /nfs/dbraw/zinc/32/60/95/1201326095.db2.gz BBEDMQMRLBNOCG-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129460379 1201327188 /nfs/dbraw/zinc/32/71/88/1201327188.db2.gz LLJCTOIULUWBCS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129460379 1201327197 /nfs/dbraw/zinc/32/71/97/1201327197.db2.gz LLJCTOIULUWBCS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129460379 1201327204 /nfs/dbraw/zinc/32/72/04/1201327204.db2.gz LLJCTOIULUWBCS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129460379 1201327213 /nfs/dbraw/zinc/32/72/13/1201327213.db2.gz LLJCTOIULUWBCS-SJORKVTESA-N 2 1 364.494 0.529 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001219877791 1224668329 /nfs/dbraw/zinc/66/83/29/1224668329.db2.gz QZYWCEGVWXSNEX-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP CCOC(=O)CC(=N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219883199 1224670599 /nfs/dbraw/zinc/67/05/99/1224670599.db2.gz RETOBAFGPRNXSK-OAHLLOKOSA-N 2 1 358.442 0.755 20 0 FCADMP CCOC(=O)CC(=N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219883199 1224670602 /nfs/dbraw/zinc/67/06/02/1224670602.db2.gz RETOBAFGPRNXSK-OAHLLOKOSA-N 2 1 358.442 0.755 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129892367 1201415960 /nfs/dbraw/zinc/41/59/60/1201415960.db2.gz UEZNWXMTXDHPBK-BBWFWOEESA-N 2 1 364.494 0.265 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899933 1201433176 /nfs/dbraw/zinc/43/31/76/1201433176.db2.gz SJKOYYGELDEPND-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991957 1201470270 /nfs/dbraw/zinc/47/02/70/1201470270.db2.gz DYLNQJINNPOJGA-SJORKVTESA-N 2 1 357.462 0.475 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040744 1201478167 /nfs/dbraw/zinc/47/81/67/1201478167.db2.gz JZFXHSFVTLUOFY-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130030782 1201480854 /nfs/dbraw/zinc/48/08/54/1201480854.db2.gz QWBHHTAAZRWWLR-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130043968 1201485148 /nfs/dbraw/zinc/48/51/48/1201485148.db2.gz JITLQPOJXOEMFO-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130106961 1201501980 /nfs/dbraw/zinc/50/19/80/1201501980.db2.gz BJOAJHFZJREAIB-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130107158 1201502444 /nfs/dbraw/zinc/50/24/44/1201502444.db2.gz GKXJIYUXOXWBFJ-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130107158 1201502445 /nfs/dbraw/zinc/50/24/45/1201502445.db2.gz GKXJIYUXOXWBFJ-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130107345 1201503097 /nfs/dbraw/zinc/50/30/97/1201503097.db2.gz LDFIROQNACWXJD-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137012 1201514305 /nfs/dbraw/zinc/51/43/05/1201514305.db2.gz DVDJRQZIZCTMJT-SJORKVTESA-N 2 1 366.510 0.775 20 0 FCADMP Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1C ZINC001130184128 1201536423 /nfs/dbraw/zinc/53/64/23/1201536423.db2.gz BPCQRYSEQSYWGD-RHSMWYFYSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1C ZINC001130184128 1201536427 /nfs/dbraw/zinc/53/64/27/1201536427.db2.gz BPCQRYSEQSYWGD-RHSMWYFYSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(F)c1 ZINC001130184489 1201537400 /nfs/dbraw/zinc/53/74/00/1201537400.db2.gz SHPFHUPWQMUJOZ-CZUORRHYSA-N 2 1 366.437 0.498 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(F)c1 ZINC001130184489 1201537402 /nfs/dbraw/zinc/53/74/02/1201537402.db2.gz SHPFHUPWQMUJOZ-CZUORRHYSA-N 2 1 366.437 0.498 20 0 FCADMP Cc1cccc(OC[C@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184507 1201537754 /nfs/dbraw/zinc/53/77/54/1201537754.db2.gz SVZOJNPWYPIPNL-JFIYKMOQSA-N 2 1 365.474 0.160 20 0 FCADMP Cc1cccc(OC[C@H](O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184507 1201537756 /nfs/dbraw/zinc/53/77/56/1201537756.db2.gz SVZOJNPWYPIPNL-JFIYKMOQSA-N 2 1 365.474 0.160 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919811 1224681185 /nfs/dbraw/zinc/68/11/85/1224681185.db2.gz PAJFCDNDHRLHDM-NXHRZFHOSA-N 2 1 362.474 0.496 20 0 FCADMP CC(C)[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)[NH+](C)C ZINC001130215924 1201547256 /nfs/dbraw/zinc/54/72/56/1201547256.db2.gz IDVOCCMQEFVEFP-YDHLFZDLSA-N 2 1 370.473 0.439 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001130242436 1201563180 /nfs/dbraw/zinc/56/31/80/1201563180.db2.gz WZDPTMNUEWILMF-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001130242436 1201563185 /nfs/dbraw/zinc/56/31/85/1201563185.db2.gz WZDPTMNUEWILMF-GJZGRUSLSA-N 2 1 364.494 0.635 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219941328 1224692119 /nfs/dbraw/zinc/69/21/19/1224692119.db2.gz VKBMXJSRJFGJAL-MSOLQXFVSA-N 2 1 358.486 0.345 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219941329 1224692785 /nfs/dbraw/zinc/69/27/85/1224692785.db2.gz VKBMXJSRJFGJAL-QZTJIDSGSA-N 2 1 358.486 0.345 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1 ZINC001220023463 1224730534 /nfs/dbraw/zinc/73/05/34/1224730534.db2.gz ZMTIXGYQFRWMFU-KRWDZBQOSA-N 2 1 360.502 0.815 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130628381 1202734729 /nfs/dbraw/zinc/73/47/29/1202734729.db2.gz OIYKDIAQPDOHSC-JLJPHGGASA-N 2 1 360.462 0.544 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001130654301 1202743463 /nfs/dbraw/zinc/74/34/63/1202743463.db2.gz FBCVLNNBOMOBGD-DOTOQJQBSA-N 2 1 360.462 0.834 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130706703 1202757384 /nfs/dbraw/zinc/75/73/84/1202757384.db2.gz UBRCHWZJSXPSBM-SOLBZPMBSA-N 2 1 365.522 0.807 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130695309 1202757583 /nfs/dbraw/zinc/75/75/83/1202757583.db2.gz MMVWOLXTUFYFJO-FUHWJXTLSA-N 2 1 363.506 0.827 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712793 1202759466 /nfs/dbraw/zinc/75/94/66/1202759466.db2.gz MDQCVUYSTCPSJB-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726339 1202768198 /nfs/dbraw/zinc/76/81/98/1202768198.db2.gz TUUUXEIUTZZQPW-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790037 1202798076 /nfs/dbraw/zinc/79/80/76/1202798076.db2.gz DXNWJJCSTSHAJH-SQWLQELKSA-N 2 1 364.494 0.981 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130816392 1202807463 /nfs/dbraw/zinc/80/74/63/1202807463.db2.gz UOVAYAWVAWNELC-SOUVJXGZSA-N 2 1 364.494 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130816392 1202807467 /nfs/dbraw/zinc/80/74/67/1202807467.db2.gz UOVAYAWVAWNELC-SOUVJXGZSA-N 2 1 364.494 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130816392 1202807469 /nfs/dbraw/zinc/80/74/69/1202807469.db2.gz UOVAYAWVAWNELC-SOUVJXGZSA-N 2 1 364.494 0.982 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)C1 ZINC001131125579 1202866453 /nfs/dbraw/zinc/86/64/53/1202866453.db2.gz HRRLUKLHMZWJQU-INMHGKMJSA-N 2 1 367.469 0.384 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)C1 ZINC001131125579 1202866454 /nfs/dbraw/zinc/86/64/54/1202866454.db2.gz HRRLUKLHMZWJQU-INMHGKMJSA-N 2 1 367.469 0.384 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131316148 1202885158 /nfs/dbraw/zinc/88/51/58/1202885158.db2.gz CRUHKJDFKNVRJM-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316828 1202885903 /nfs/dbraw/zinc/88/59/03/1202885903.db2.gz XQYYEEHNEHANAJ-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316828 1202885906 /nfs/dbraw/zinc/88/59/06/1202885906.db2.gz XQYYEEHNEHANAJ-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131316828 1202885908 /nfs/dbraw/zinc/88/59/08/1202885908.db2.gz XQYYEEHNEHANAJ-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131316828 1202885909 /nfs/dbraw/zinc/88/59/09/1202885909.db2.gz XQYYEEHNEHANAJ-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665035 1202887301 /nfs/dbraw/zinc/88/73/01/1202887301.db2.gz NZNFHSLAGKNZHJ-UAGQMJEPSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665035 1202887303 /nfs/dbraw/zinc/88/73/03/1202887303.db2.gz NZNFHSLAGKNZHJ-UAGQMJEPSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001086665030 1202887433 /nfs/dbraw/zinc/88/74/33/1202887433.db2.gz NTVLNFBNJBLJRN-UAGQMJEPSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001086665030 1202887434 /nfs/dbraw/zinc/88/74/34/1202887434.db2.gz NTVLNFBNJBLJRN-UAGQMJEPSA-N 2 1 362.474 0.795 20 0 FCADMP COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313000 1202887503 /nfs/dbraw/zinc/88/75/03/1202887503.db2.gz DVAPEZUSRHTSTD-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313000 1202887505 /nfs/dbraw/zinc/88/75/05/1202887505.db2.gz DVAPEZUSRHTSTD-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001086665068 1202887620 /nfs/dbraw/zinc/88/76/20/1202887620.db2.gz OZUVESJIVPKEDI-HDMKZQKVSA-N 2 1 362.474 0.795 20 0 FCADMP COc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001086665068 1202887623 /nfs/dbraw/zinc/88/76/23/1202887623.db2.gz OZUVESJIVPKEDI-HDMKZQKVSA-N 2 1 362.474 0.795 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086666050 1202889144 /nfs/dbraw/zinc/88/91/44/1202889144.db2.gz XKRJFCQWJNYEKD-KSZLIROESA-N 2 1 363.506 0.705 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086666050 1202889145 /nfs/dbraw/zinc/88/91/45/1202889145.db2.gz XKRJFCQWJNYEKD-KSZLIROESA-N 2 1 363.506 0.705 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131592882 1202917113 /nfs/dbraw/zinc/91/71/13/1202917113.db2.gz AILAEKOTOOASPE-GMBSWORKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131607044 1202920156 /nfs/dbraw/zinc/92/01/56/1202920156.db2.gz UUZOKQVAIHSLRI-SQNIBIBYSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131607044 1202920159 /nfs/dbraw/zinc/92/01/59/1202920159.db2.gz UUZOKQVAIHSLRI-SQNIBIBYSA-N 2 1 369.506 0.075 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCO)C[C@@H](C)O)cc2)CC1 ZINC000810039438 1202939754 /nfs/dbraw/zinc/93/97/54/1202939754.db2.gz APDANYWBGREWAC-MRXNPFEDSA-N 2 1 364.490 0.442 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)cc2)CC1 ZINC000810039438 1202939755 /nfs/dbraw/zinc/93/97/55/1202939755.db2.gz APDANYWBGREWAC-MRXNPFEDSA-N 2 1 364.490 0.442 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1=O ZINC000812341478 1202980113 /nfs/dbraw/zinc/98/01/13/1202980113.db2.gz GOISQTDTKVWHOS-BSDSXHPESA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1=O ZINC000812341478 1202980117 /nfs/dbraw/zinc/98/01/17/1202980117.db2.gz GOISQTDTKVWHOS-BSDSXHPESA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1=O ZINC000812341478 1202980119 /nfs/dbraw/zinc/98/01/19/1202980119.db2.gz GOISQTDTKVWHOS-BSDSXHPESA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813324733 1202993430 /nfs/dbraw/zinc/99/34/30/1202993430.db2.gz ANHNCXCWERXVDT-AWEZNQCLSA-N 2 1 359.474 0.895 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001086717100 1203013374 /nfs/dbraw/zinc/01/33/74/1203013374.db2.gz HBKCKDZTYPNXEB-XHSDSOJGSA-N 2 1 357.462 0.927 20 0 FCADMP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001134120505 1203014934 /nfs/dbraw/zinc/01/49/34/1203014934.db2.gz ARKSCNDGSYBOLG-MSOLQXFVSA-N 2 1 358.486 0.658 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126552 1203015861 /nfs/dbraw/zinc/01/58/61/1203015861.db2.gz XHMADUBCOIZNQY-NXHRZFHOSA-N 2 1 360.502 0.952 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086740109 1203067177 /nfs/dbraw/zinc/06/71/77/1203067177.db2.gz ITAVDFCYNDCHRU-ARFHVFGLSA-N 2 1 363.510 0.705 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086740109 1203067182 /nfs/dbraw/zinc/06/71/82/1203067182.db2.gz ITAVDFCYNDCHRU-ARFHVFGLSA-N 2 1 363.510 0.705 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001086786165 1203093063 /nfs/dbraw/zinc/09/30/63/1203093063.db2.gz MMDIUMYKSSIMAN-ZQDZILKHSA-N 2 1 364.494 0.213 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnn(C)n3)C1)CC2 ZINC001086787077 1203093568 /nfs/dbraw/zinc/09/35/68/1203093568.db2.gz CKGLWNWJXPVGER-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001086788188 1203094471 /nfs/dbraw/zinc/09/44/71/1203094471.db2.gz DOHSIOJKHWDUAF-YESZJQIVSA-N 2 1 371.489 0.920 20 0 FCADMP CC(=O)NCCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861284 1203100397 /nfs/dbraw/zinc/10/03/97/1203100397.db2.gz BCTYGOAMLLDQMH-LZLYRXPVSA-N 2 1 370.538 0.744 20 0 FCADMP Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)C3)ncn1 ZINC001110107857 1203289268 /nfs/dbraw/zinc/28/92/68/1203289268.db2.gz XNLSVWWGJWXNDZ-VLQPXKRTSA-N 2 1 373.501 0.975 20 0 FCADMP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)c(F)c1 ZINC000844220127 1203340067 /nfs/dbraw/zinc/34/00/67/1203340067.db2.gz SQTRUUWJKZDXLV-HNNXBMFYSA-N 2 1 362.449 0.958 20 0 FCADMP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)c(F)c1 ZINC000844220127 1203340071 /nfs/dbraw/zinc/34/00/71/1203340071.db2.gz SQTRUUWJKZDXLV-HNNXBMFYSA-N 2 1 362.449 0.958 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001220160402 1224791252 /nfs/dbraw/zinc/79/12/52/1224791252.db2.gz YTMDFOHFNSXDRO-BZSNNMDCSA-N 2 1 358.486 0.676 20 0 FCADMP CC(C)[NH+]1CC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001220159670 1224791866 /nfs/dbraw/zinc/79/18/66/1224791866.db2.gz QMYMBIHPGZMVAZ-KRWDZBQOSA-N 2 1 357.458 0.363 20 0 FCADMP COC(=O)[C@@]1(NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228707 1224810302 /nfs/dbraw/zinc/81/03/02/1224810302.db2.gz VGJSWESIWYCUFO-VQIMIIECSA-N 2 1 361.442 0.299 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)CC1 ZINC001220269317 1224817492 /nfs/dbraw/zinc/81/74/92/1224817492.db2.gz UXKNHEDUCBWAIJ-MOPGFXCFSA-N 2 1 361.486 0.706 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315646 1224826912 /nfs/dbraw/zinc/82/69/12/1224826912.db2.gz GJFNLUCFKHMBEU-SBHAEUEKSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315646 1224826916 /nfs/dbraw/zinc/82/69/16/1224826916.db2.gz GJFNLUCFKHMBEU-SBHAEUEKSA-N 2 1 372.513 0.878 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483056 1204523768 /nfs/dbraw/zinc/52/37/68/1204523768.db2.gz JUOXZKONYZBFNV-HUUCEWRRSA-N 2 1 371.526 0.193 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359630 1224843607 /nfs/dbraw/zinc/84/36/07/1224843607.db2.gz RKZPIDVAHJLLFD-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359630 1224843609 /nfs/dbraw/zinc/84/36/09/1224843609.db2.gz RKZPIDVAHJLLFD-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359630 1224843612 /nfs/dbraw/zinc/84/36/12/1224843612.db2.gz RKZPIDVAHJLLFD-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220359630 1224843616 /nfs/dbraw/zinc/84/36/16/1224843616.db2.gz RKZPIDVAHJLLFD-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674088 /nfs/dbraw/zinc/67/40/88/1204674088.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 1 370.538 0.926 20 0 FCADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674092 /nfs/dbraw/zinc/67/40/92/1204674092.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 1 370.538 0.926 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369591 1224846906 /nfs/dbraw/zinc/84/69/06/1224846906.db2.gz KUMJBRQOGXTRNL-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369591 1224846908 /nfs/dbraw/zinc/84/69/08/1224846908.db2.gz KUMJBRQOGXTRNL-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369591 1224846910 /nfs/dbraw/zinc/84/69/10/1224846910.db2.gz KUMJBRQOGXTRNL-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369591 1224846913 /nfs/dbraw/zinc/84/69/13/1224846913.db2.gz KUMJBRQOGXTRNL-ZACQAIPSSA-N 2 1 371.522 0.321 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565402 1204726224 /nfs/dbraw/zinc/72/62/24/1204726224.db2.gz NYBMHUFDVXLQOT-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565402 1204726231 /nfs/dbraw/zinc/72/62/31/1204726231.db2.gz NYBMHUFDVXLQOT-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565402 1204726236 /nfs/dbraw/zinc/72/62/36/1204726236.db2.gz NYBMHUFDVXLQOT-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565402 1204726244 /nfs/dbraw/zinc/72/62/44/1204726244.db2.gz NYBMHUFDVXLQOT-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582709 1204799713 /nfs/dbraw/zinc/79/97/13/1204799713.db2.gz CUKCSWFVYJOTHM-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582709 1204799716 /nfs/dbraw/zinc/79/97/16/1204799716.db2.gz CUKCSWFVYJOTHM-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582709 1204799719 /nfs/dbraw/zinc/79/97/19/1204799719.db2.gz CUKCSWFVYJOTHM-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582709 1204799722 /nfs/dbraw/zinc/79/97/22/1204799722.db2.gz CUKCSWFVYJOTHM-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCNC(=O)C2CC2)C3)CC[N@H+]1C ZINC001147582728 1204799884 /nfs/dbraw/zinc/79/98/84/1204799884.db2.gz DJBCDQGFVGIODE-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCNC(=O)C2CC2)C3)CC[NH+]1C ZINC001147582728 1204799895 /nfs/dbraw/zinc/79/98/95/1204799895.db2.gz DJBCDQGFVGIODE-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCNC(=O)C2CC2)C3)CC[NH+]1C ZINC001147582728 1204799902 /nfs/dbraw/zinc/79/99/02/1204799902.db2.gz DJBCDQGFVGIODE-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667815 1204814287 /nfs/dbraw/zinc/81/42/87/1204814287.db2.gz ZZSDWHXUOWHJAH-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667815 1204814289 /nfs/dbraw/zinc/81/42/89/1204814289.db2.gz ZZSDWHXUOWHJAH-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667815 1204814290 /nfs/dbraw/zinc/81/42/90/1204814290.db2.gz ZZSDWHXUOWHJAH-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091667815 1204814291 /nfs/dbraw/zinc/81/42/91/1204814291.db2.gz ZZSDWHXUOWHJAH-AYBZRNKSSA-N 2 1 360.506 0.968 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716190 1204831232 /nfs/dbraw/zinc/83/12/32/1204831232.db2.gz MZHGAVWTOHVMFD-VKJFTORMSA-N 2 1 361.494 0.365 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740806 1204838513 /nfs/dbraw/zinc/83/85/13/1204838513.db2.gz JRXWBWBTBMOGHB-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740806 1204838514 /nfs/dbraw/zinc/83/85/14/1204838514.db2.gz JRXWBWBTBMOGHB-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740806 1204838515 /nfs/dbraw/zinc/83/85/15/1204838515.db2.gz JRXWBWBTBMOGHB-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742960 1204839815 /nfs/dbraw/zinc/83/98/15/1204839815.db2.gz GYRDCFISAXHZRQ-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742960 1204839816 /nfs/dbraw/zinc/83/98/16/1204839816.db2.gz GYRDCFISAXHZRQ-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091742960 1204839818 /nfs/dbraw/zinc/83/98/18/1204839818.db2.gz GYRDCFISAXHZRQ-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086854435 1204852956 /nfs/dbraw/zinc/85/29/56/1204852956.db2.gz YTQBAVKSHVFMTF-UONOGXRCSA-N 2 1 362.478 0.606 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)C1 ZINC001086880344 1204856066 /nfs/dbraw/zinc/85/60/66/1204856066.db2.gz UURLPNDOGKTAMZ-LZLYRXPVSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)C1 ZINC001086880344 1204856067 /nfs/dbraw/zinc/85/60/67/1204856067.db2.gz UURLPNDOGKTAMZ-LZLYRXPVSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001086880238 1204856256 /nfs/dbraw/zinc/85/62/56/1204856256.db2.gz PNIGOFMYALUWKW-JZXOWHBKSA-N 2 1 363.506 0.558 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001086880238 1204856260 /nfs/dbraw/zinc/85/62/60/1204856260.db2.gz PNIGOFMYALUWKW-JZXOWHBKSA-N 2 1 363.506 0.558 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1)[NH+](C)C ZINC001086984703 1204879088 /nfs/dbraw/zinc/87/90/88/1204879088.db2.gz YPTQTYAXMQMILW-GVDBMIGSSA-N 2 1 360.462 0.833 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001086993448 1204884700 /nfs/dbraw/zinc/88/47/00/1204884700.db2.gz AAXXVPCUNLHMBA-GVDBMIGSSA-N 2 1 367.469 0.383 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCF)C2)C1 ZINC001086993448 1204884703 /nfs/dbraw/zinc/88/47/03/1204884703.db2.gz AAXXVPCUNLHMBA-GVDBMIGSSA-N 2 1 367.469 0.383 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087035348 1204911106 /nfs/dbraw/zinc/91/11/06/1204911106.db2.gz XCGXUQWUXSMRND-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087034986 1204911469 /nfs/dbraw/zinc/91/14/69/1204911469.db2.gz GNXFJIBMNBVTPV-FGTMMUONSA-N 2 1 363.506 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087062973 1204950584 /nfs/dbraw/zinc/95/05/84/1204950584.db2.gz CXTCYBFBOWIYIH-KBAYOESNSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087063237 1204950956 /nfs/dbraw/zinc/95/09/56/1204950956.db2.gz OOHAAOPTYNPIMQ-KBAYOESNSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087083426 1204971411 /nfs/dbraw/zinc/97/14/11/1204971411.db2.gz DVTJFKWRRASOTM-YSVLISHTSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087096274 1205003285 /nfs/dbraw/zinc/00/32/85/1205003285.db2.gz GEBACIAIEBSIPF-CGTJXYLNSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)c4)C[C@@]3(C)C2)O1 ZINC001091780332 1205026743 /nfs/dbraw/zinc/02/67/43/1205026743.db2.gz GINQEYCRTKLGBS-MYZZLAAOSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)c4)C[C@@]3(C)C2)O1 ZINC001091780332 1205026749 /nfs/dbraw/zinc/02/67/49/1205026749.db2.gz GINQEYCRTKLGBS-MYZZLAAOSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)O1 ZINC001091780332 1205026754 /nfs/dbraw/zinc/02/67/54/1205026754.db2.gz GINQEYCRTKLGBS-MYZZLAAOSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)O1 ZINC001091780332 1205026757 /nfs/dbraw/zinc/02/67/57/1205026757.db2.gz GINQEYCRTKLGBS-MYZZLAAOSA-N 2 1 361.490 0.420 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091856172 1205051597 /nfs/dbraw/zinc/05/15/97/1205051597.db2.gz JTHSAGAHECEALC-MJGOQNOKSA-N 2 1 356.474 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091856172 1205051600 /nfs/dbraw/zinc/05/16/00/1205051600.db2.gz JTHSAGAHECEALC-MJGOQNOKSA-N 2 1 356.474 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091856018 1205051823 /nfs/dbraw/zinc/05/18/23/1205051823.db2.gz FJTYETBQFHPPNR-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001091856018 1205051830 /nfs/dbraw/zinc/05/18/30/1205051830.db2.gz FJTYETBQFHPPNR-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856420 1205051908 /nfs/dbraw/zinc/05/19/08/1205051908.db2.gz PRLKBYDQWFXIGJ-MUKKUYKPSA-N 2 1 355.442 0.863 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001091959784 1205093532 /nfs/dbraw/zinc/09/35/32/1205093532.db2.gz FULCHRWSYNKEOV-VCBZYWHSSA-N 2 1 360.458 0.624 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012987 1205113909 /nfs/dbraw/zinc/11/39/09/1205113909.db2.gz FYGBFRLLYJQMHU-FCEWJHQRSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012987 1205113910 /nfs/dbraw/zinc/11/39/10/1205113910.db2.gz FYGBFRLLYJQMHU-FCEWJHQRSA-N 2 1 363.506 0.134 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012987 1205113911 /nfs/dbraw/zinc/11/39/11/1205113911.db2.gz FYGBFRLLYJQMHU-FCEWJHQRSA-N 2 1 363.506 0.134 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273423 1205221525 /nfs/dbraw/zinc/22/15/25/1205221525.db2.gz NUYCRLVAJHEUFT-LMMKCTJWSA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273423 1205221528 /nfs/dbraw/zinc/22/15/28/1205221528.db2.gz NUYCRLVAJHEUFT-LMMKCTJWSA-N 2 1 360.506 0.627 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273423 1205221530 /nfs/dbraw/zinc/22/15/30/1205221530.db2.gz NUYCRLVAJHEUFT-LMMKCTJWSA-N 2 1 360.506 0.627 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287031 1205252985 /nfs/dbraw/zinc/25/29/85/1205252985.db2.gz URDDMMSQDQGUON-AOIWGVFYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287031 1205252989 /nfs/dbraw/zinc/25/29/89/1205252989.db2.gz URDDMMSQDQGUON-AOIWGVFYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287031 1205252994 /nfs/dbraw/zinc/25/29/94/1205252994.db2.gz URDDMMSQDQGUON-AOIWGVFYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287031 1205252998 /nfs/dbraw/zinc/25/29/98/1205252998.db2.gz URDDMMSQDQGUON-AOIWGVFYSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292151 1205256736 /nfs/dbraw/zinc/25/67/36/1205256736.db2.gz PAJRVHMIXXFGFR-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292151 1205256739 /nfs/dbraw/zinc/25/67/39/1205256739.db2.gz PAJRVHMIXXFGFR-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292151 1205256745 /nfs/dbraw/zinc/25/67/45/1205256745.db2.gz PAJRVHMIXXFGFR-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292151 1205256753 /nfs/dbraw/zinc/25/67/53/1205256753.db2.gz PAJRVHMIXXFGFR-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460454 1224879951 /nfs/dbraw/zinc/87/99/51/1224879951.db2.gz MUKQYUGZDCXXBD-AWEZNQCLSA-N 2 1 363.418 0.030 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001092602519 1205317511 /nfs/dbraw/zinc/31/75/11/1205317511.db2.gz ATFADVKGSLXWLL-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602519 1205317514 /nfs/dbraw/zinc/31/75/14/1205317514.db2.gz ATFADVKGSLXWLL-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602519 1205317518 /nfs/dbraw/zinc/31/75/18/1205317518.db2.gz ATFADVKGSLXWLL-ZACQAIPSSA-N 2 1 365.522 0.569 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)C1=O ZINC001092775932 1205355080 /nfs/dbraw/zinc/35/50/80/1205355080.db2.gz NSKPUOYFWGAPIQ-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517137 1224900265 /nfs/dbraw/zinc/90/02/65/1224900265.db2.gz YAGLTICDHRCZLD-SJORKVTESA-N 2 1 367.494 0.036 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911458 1205940656 /nfs/dbraw/zinc/94/06/56/1205940656.db2.gz RUBCURJWNAJLGM-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911458 1205940661 /nfs/dbraw/zinc/94/06/61/1205940661.db2.gz RUBCURJWNAJLGM-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911458 1205940666 /nfs/dbraw/zinc/94/06/66/1205940666.db2.gz RUBCURJWNAJLGM-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220548120 1224920055 /nfs/dbraw/zinc/92/00/55/1224920055.db2.gz XLAIMKSCZMBIJA-MSOLQXFVSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220548120 1224920066 /nfs/dbraw/zinc/92/00/66/1224920066.db2.gz XLAIMKSCZMBIJA-MSOLQXFVSA-N 2 1 369.506 0.077 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040990 1206002116 /nfs/dbraw/zinc/00/21/16/1206002116.db2.gz ZNQOBCUYHBTKFB-IIAWOOMASA-N 2 1 364.494 0.006 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040444 1206002219 /nfs/dbraw/zinc/00/22/19/1206002219.db2.gz PICMKVYYQUQNDS-BRWVUGGUSA-N 2 1 363.506 0.779 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220550576 1224922881 /nfs/dbraw/zinc/92/28/81/1224922881.db2.gz ZEWMMNGAEWLOMD-KURKYZTESA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220550576 1224922886 /nfs/dbraw/zinc/92/28/86/1224922886.db2.gz ZEWMMNGAEWLOMD-KURKYZTESA-N 2 1 364.490 0.950 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CC1 ZINC001220550062 1224923231 /nfs/dbraw/zinc/92/32/31/1224923231.db2.gz IDHRPYYBOOWCAV-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CC1 ZINC001220550062 1224923236 /nfs/dbraw/zinc/92/32/36/1224923236.db2.gz IDHRPYYBOOWCAV-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CCC1 ZINC001220550435 1224923520 /nfs/dbraw/zinc/92/35/20/1224923520.db2.gz RUPFVXMKIWDSHE-SQNIBIBYSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CCC1 ZINC001220550435 1224923526 /nfs/dbraw/zinc/92/35/26/1224923526.db2.gz RUPFVXMKIWDSHE-SQNIBIBYSA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137222 1206033653 /nfs/dbraw/zinc/03/36/53/1206033653.db2.gz TUJGYEDOMKAVDW-ZIAGYGMSSA-N 2 1 359.474 0.724 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)cc1=O ZINC001093194858 1206052479 /nfs/dbraw/zinc/05/24/79/1206052479.db2.gz DPGTXUADHREIRD-RBSFLKMASA-N 2 1 363.458 0.784 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1=O ZINC001093194858 1206052484 /nfs/dbraw/zinc/05/24/84/1206052484.db2.gz DPGTXUADHREIRD-RBSFLKMASA-N 2 1 363.458 0.784 20 0 FCADMP COc1coc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)cc1=O ZINC001093194858 1206052487 /nfs/dbraw/zinc/05/24/87/1206052487.db2.gz DPGTXUADHREIRD-RBSFLKMASA-N 2 1 363.458 0.784 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194049 1206053136 /nfs/dbraw/zinc/05/31/36/1206053136.db2.gz VIXRPRHJURYCSE-VNQPRFMTSA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194049 1206053140 /nfs/dbraw/zinc/05/31/40/1206053140.db2.gz VIXRPRHJURYCSE-VNQPRFMTSA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194049 1206053147 /nfs/dbraw/zinc/05/31/47/1206053147.db2.gz VIXRPRHJURYCSE-VNQPRFMTSA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194049 1206053153 /nfs/dbraw/zinc/05/31/53/1206053153.db2.gz VIXRPRHJURYCSE-VNQPRFMTSA-N 2 1 360.506 0.828 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)no1 ZINC001093195365 1206053255 /nfs/dbraw/zinc/05/32/55/1206053255.db2.gz ONBKYWAQYVOMFO-VHDGCEQUSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)no1 ZINC001093195365 1206053256 /nfs/dbraw/zinc/05/32/56/1206053256.db2.gz ONBKYWAQYVOMFO-VHDGCEQUSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)no1 ZINC001093195365 1206053257 /nfs/dbraw/zinc/05/32/57/1206053257.db2.gz ONBKYWAQYVOMFO-VHDGCEQUSA-N 2 1 363.462 0.557 20 0 FCADMP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)no1 ZINC001093195365 1206053259 /nfs/dbraw/zinc/05/32/59/1206053259.db2.gz ONBKYWAQYVOMFO-VHDGCEQUSA-N 2 1 363.462 0.557 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208974 1206056875 /nfs/dbraw/zinc/05/68/75/1206056875.db2.gz MNEWYARJAJIUKQ-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208974 1206056878 /nfs/dbraw/zinc/05/68/78/1206056878.db2.gz MNEWYARJAJIUKQ-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208974 1206056883 /nfs/dbraw/zinc/05/68/83/1206056883.db2.gz MNEWYARJAJIUKQ-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)C1 ZINC001093208974 1206056888 /nfs/dbraw/zinc/05/68/88/1206056888.db2.gz MNEWYARJAJIUKQ-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209170 1206056952 /nfs/dbraw/zinc/05/69/52/1206056952.db2.gz WFBGWJNZFSWOFD-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209170 1206056954 /nfs/dbraw/zinc/05/69/54/1206056954.db2.gz WFBGWJNZFSWOFD-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209170 1206056956 /nfs/dbraw/zinc/05/69/56/1206056956.db2.gz WFBGWJNZFSWOFD-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)C1 ZINC001093209170 1206056958 /nfs/dbraw/zinc/05/69/58/1206056958.db2.gz WFBGWJNZFSWOFD-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208690 1206057118 /nfs/dbraw/zinc/05/71/18/1206057118.db2.gz BAJPAUUVLALMCT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208690 1206057121 /nfs/dbraw/zinc/05/71/21/1206057121.db2.gz BAJPAUUVLALMCT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208690 1206057126 /nfs/dbraw/zinc/05/71/26/1206057126.db2.gz BAJPAUUVLALMCT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001093208690 1206057129 /nfs/dbraw/zinc/05/71/29/1206057129.db2.gz BAJPAUUVLALMCT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001093672688 1206099454 /nfs/dbraw/zinc/09/94/54/1206099454.db2.gz AIOVVUTYPWMJKE-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001093672688 1206099457 /nfs/dbraw/zinc/09/94/57/1206099457.db2.gz AIOVVUTYPWMJKE-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)no1 ZINC001093673178 1206099815 /nfs/dbraw/zinc/09/98/15/1206099815.db2.gz KHLUPWMWVMQTPZ-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)no1 ZINC001093673178 1206099817 /nfs/dbraw/zinc/09/98/17/1206099817.db2.gz KHLUPWMWVMQTPZ-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001093673002 1206099824 /nfs/dbraw/zinc/09/98/24/1206099824.db2.gz HYYHFXYNTDYTKK-RBSFLKMASA-N 2 1 363.510 0.706 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)ccn1 ZINC001093691140 1206101304 /nfs/dbraw/zinc/10/13/04/1206101304.db2.gz KFWHXEQXICDAIV-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)ccn1 ZINC001093691140 1206101307 /nfs/dbraw/zinc/10/13/07/1206101307.db2.gz KFWHXEQXICDAIV-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093824113 1206124363 /nfs/dbraw/zinc/12/43/63/1206124363.db2.gz HHNNBYCAECJARJ-KFWWJZLASA-N 2 1 357.462 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093878967 1206140967 /nfs/dbraw/zinc/14/09/67/1206140967.db2.gz JIPGDHDSSWZFPT-NFAWXSAZSA-N 2 1 363.462 0.265 20 0 FCADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001093920952 1206149729 /nfs/dbraw/zinc/14/97/29/1206149729.db2.gz CRKCISDZOVFPMQ-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001093930102 1206151956 /nfs/dbraw/zinc/15/19/56/1206151956.db2.gz HEUKADKBPSUVGM-YPNVDPLUSA-N 2 1 360.458 0.722 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093992350 1206165133 /nfs/dbraw/zinc/16/51/33/1206165133.db2.gz PGRURBUCEIFGJF-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093992350 1206165135 /nfs/dbraw/zinc/16/51/35/1206165135.db2.gz PGRURBUCEIFGJF-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093992296 1206165509 /nfs/dbraw/zinc/16/55/09/1206165509.db2.gz NIIJYDZGMHVJEQ-OAGGEKHMSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)C1 ZINC001093992296 1206165513 /nfs/dbraw/zinc/16/55/13/1206165513.db2.gz NIIJYDZGMHVJEQ-OAGGEKHMSA-N 2 1 364.494 0.108 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)CC2 ZINC001093996460 1206166305 /nfs/dbraw/zinc/16/63/05/1206166305.db2.gz CAZHKKSFGPVYGC-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001094088763 1206182275 /nfs/dbraw/zinc/18/22/75/1206182275.db2.gz MVYGQYAGTYZTLJ-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001094088763 1206182276 /nfs/dbraw/zinc/18/22/76/1206182276.db2.gz MVYGQYAGTYZTLJ-BZUAXINKSA-N 2 1 363.510 0.657 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1cnccn1 ZINC001094110635 1206185903 /nfs/dbraw/zinc/18/59/03/1206185903.db2.gz JXOPLKGLZFLXOD-IXDOHACOSA-N 2 1 361.490 0.944 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1C ZINC001094165580 1206197847 /nfs/dbraw/zinc/19/78/47/1206197847.db2.gz RNSNNWDDUCEABS-OWCLPIDISA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn(C3C[NH+](C[C@@H]4CCOC4)C3)nn2)CC[N@H+]1C ZINC001094293376 1206215473 /nfs/dbraw/zinc/21/54/73/1206215473.db2.gz MAENGAJBJFRQDF-JKIFEVAISA-N 2 1 362.478 0.128 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)C1 ZINC001094384804 1206222598 /nfs/dbraw/zinc/22/25/98/1206222598.db2.gz KAQQMAXKZDSDOA-YQVWRLOYSA-N 2 1 361.490 0.575 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)C1 ZINC001094384804 1206222599 /nfs/dbraw/zinc/22/25/99/1206222599.db2.gz KAQQMAXKZDSDOA-YQVWRLOYSA-N 2 1 361.490 0.575 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)C1 ZINC001094384804 1206222601 /nfs/dbraw/zinc/22/26/01/1206222601.db2.gz KAQQMAXKZDSDOA-YQVWRLOYSA-N 2 1 361.490 0.575 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cccn2)CC3)C1 ZINC001094384804 1206222604 /nfs/dbraw/zinc/22/26/04/1206222604.db2.gz KAQQMAXKZDSDOA-YQVWRLOYSA-N 2 1 361.490 0.575 20 0 FCADMP COCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474020 1206233446 /nfs/dbraw/zinc/23/34/46/1206233446.db2.gz HGZGKOALDOOIBP-KCZRXQPDSA-N 2 1 363.502 0.857 20 0 FCADMP COCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474020 1206233449 /nfs/dbraw/zinc/23/34/49/1206233449.db2.gz HGZGKOALDOOIBP-KCZRXQPDSA-N 2 1 363.502 0.857 20 0 FCADMP COCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474020 1206233451 /nfs/dbraw/zinc/23/34/51/1206233451.db2.gz HGZGKOALDOOIBP-KCZRXQPDSA-N 2 1 363.502 0.857 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001220568235 1224937401 /nfs/dbraw/zinc/93/74/01/1224937401.db2.gz CCLAQFKVGPZAFD-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001220568235 1224937411 /nfs/dbraw/zinc/93/74/11/1224937411.db2.gz CCLAQFKVGPZAFD-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220568235 1224937421 /nfs/dbraw/zinc/93/74/21/1224937421.db2.gz CCLAQFKVGPZAFD-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220568235 1224937431 /nfs/dbraw/zinc/93/74/31/1224937431.db2.gz CCLAQFKVGPZAFD-MSOLQXFVSA-N 2 1 365.522 0.636 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001172070423 1206256847 /nfs/dbraw/zinc/25/68/47/1206256847.db2.gz OGUVHNRJWJDOHQ-UEDNIHKISA-N 2 1 356.518 0.565 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001172070423 1206256848 /nfs/dbraw/zinc/25/68/48/1206256848.db2.gz OGUVHNRJWJDOHQ-UEDNIHKISA-N 2 1 356.518 0.565 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175677 1206259059 /nfs/dbraw/zinc/25/90/59/1206259059.db2.gz VEPYEFPYWBDYDO-FPSMNIFISA-N 2 1 358.490 0.826 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175677 1206259063 /nfs/dbraw/zinc/25/90/63/1206259063.db2.gz VEPYEFPYWBDYDO-FPSMNIFISA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175677 1206259065 /nfs/dbraw/zinc/25/90/65/1206259065.db2.gz VEPYEFPYWBDYDO-FPSMNIFISA-N 2 1 358.490 0.826 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]21 ZINC001172175677 1206259068 /nfs/dbraw/zinc/25/90/68/1206259068.db2.gz VEPYEFPYWBDYDO-FPSMNIFISA-N 2 1 358.490 0.826 20 0 FCADMP COCCC[NH+]1CCC([NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001172258367 1206261258 /nfs/dbraw/zinc/26/12/58/1206261258.db2.gz ZOMJBPKZYICRIN-UHFFFAOYSA-N 2 1 368.522 0.994 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001178692544 1206362560 /nfs/dbraw/zinc/36/25/60/1206362560.db2.gz PKEDWUGEKYRGEO-LUKYLMHMSA-N 2 1 359.474 0.918 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001178692544 1206362564 /nfs/dbraw/zinc/36/25/64/1206362564.db2.gz PKEDWUGEKYRGEO-LUKYLMHMSA-N 2 1 359.474 0.918 20 0 FCADMP CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001178810256 1206365524 /nfs/dbraw/zinc/36/55/24/1206365524.db2.gz ASZUUMXVQYTPEH-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001178810256 1206365526 /nfs/dbraw/zinc/36/55/26/1206365526.db2.gz ASZUUMXVQYTPEH-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001178948736 1206368375 /nfs/dbraw/zinc/36/83/75/1206368375.db2.gz OHTRVJKVDKBBFF-UHFFFAOYSA-N 2 1 360.506 0.111 20 0 FCADMP C[N@@H+](CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1)C1CCCC1 ZINC001180624576 1206396555 /nfs/dbraw/zinc/39/65/55/1206396555.db2.gz DQPGXZRHMNALDL-UHFFFAOYSA-N 2 1 361.490 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]Cc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001181517614 1206410965 /nfs/dbraw/zinc/41/09/65/1206410965.db2.gz KKWFUBZNBZGZRG-BASYENTBSA-N 2 1 363.510 0.515 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001181517614 1206410967 /nfs/dbraw/zinc/41/09/67/1206410967.db2.gz KKWFUBZNBZGZRG-BASYENTBSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CCn1cccn1 ZINC001181885572 1206417083 /nfs/dbraw/zinc/41/70/83/1206417083.db2.gz YSRFNTRDLKDCMX-YWTNHNAXSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]CCn1cccn1 ZINC001181885572 1206417085 /nfs/dbraw/zinc/41/70/85/1206417085.db2.gz YSRFNTRDLKDCMX-YWTNHNAXSA-N 2 1 363.506 0.676 20 0 FCADMP Nc1cn(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001182556230 1206438639 /nfs/dbraw/zinc/43/86/39/1206438639.db2.gz XHQQXFPSXQXWBU-IBGZPJMESA-N 2 1 373.501 0.818 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576292 1206456494 /nfs/dbraw/zinc/45/64/94/1206456494.db2.gz KJEANNBERRAWRD-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576292 1206456496 /nfs/dbraw/zinc/45/64/96/1206456496.db2.gz KJEANNBERRAWRD-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC001185225181 1206475874 /nfs/dbraw/zinc/47/58/74/1206475874.db2.gz BSKQMOHYVIKNOW-ZCNNSNEGSA-N 2 1 374.529 0.716 20 0 FCADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1 ZINC001185225181 1206475876 /nfs/dbraw/zinc/47/58/76/1206475876.db2.gz BSKQMOHYVIKNOW-ZCNNSNEGSA-N 2 1 374.529 0.716 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH+](C)CCN1C)[C@@H]2C ZINC001185253034 1206477772 /nfs/dbraw/zinc/47/77/72/1206477772.db2.gz VJMFMABKAFHUQS-NVXWUHKLSA-N 2 1 362.522 0.872 20 0 FCADMP Cc1cccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001186039583 1206490976 /nfs/dbraw/zinc/49/09/76/1206490976.db2.gz YPLNRYMLFSPBIV-HBFSDRIKSA-N 2 1 359.470 0.916 20 0 FCADMP Cc1cccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001186039583 1206490978 /nfs/dbraw/zinc/49/09/78/1206490978.db2.gz YPLNRYMLFSPBIV-HBFSDRIKSA-N 2 1 359.470 0.916 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220599892 1224958145 /nfs/dbraw/zinc/95/81/45/1224958145.db2.gz QWHKOCJBTYCUOT-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220599892 1224958152 /nfs/dbraw/zinc/95/81/52/1224958152.db2.gz QWHKOCJBTYCUOT-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638319 1224981398 /nfs/dbraw/zinc/98/13/98/1224981398.db2.gz ZCODDJVMXINDHV-MOPGFXCFSA-N 2 1 361.486 0.767 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220643274 1224983214 /nfs/dbraw/zinc/98/32/14/1224983214.db2.gz YDQLIGCLHCOSJP-FGTMMUONSA-N 2 1 369.506 0.074 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944428 1207403568 /nfs/dbraw/zinc/40/35/68/1207403568.db2.gz GOSQBGXXGWAGJT-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944428 1207403573 /nfs/dbraw/zinc/40/35/73/1207403573.db2.gz GOSQBGXXGWAGJT-OKZBNKHCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952032 1207405912 /nfs/dbraw/zinc/40/59/12/1207405912.db2.gz QPRGAAULPRKYJC-XYJFISCASA-N 2 1 363.506 0.752 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001188107714 1207422678 /nfs/dbraw/zinc/42/26/78/1207422678.db2.gz WYRJSHRHFOOSBP-GVDBMIGSSA-N 2 1 368.497 0.821 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001188107714 1207422683 /nfs/dbraw/zinc/42/26/83/1207422683.db2.gz WYRJSHRHFOOSBP-GVDBMIGSSA-N 2 1 368.497 0.821 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205257 1207433685 /nfs/dbraw/zinc/43/36/85/1207433685.db2.gz IEDZDKXZIIHBQB-YESZJQIVSA-N 2 1 362.474 0.956 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205257 1207433689 /nfs/dbraw/zinc/43/36/89/1207433689.db2.gz IEDZDKXZIIHBQB-YESZJQIVSA-N 2 1 362.474 0.956 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188350058 1207450485 /nfs/dbraw/zinc/45/04/85/1207450485.db2.gz UBHRPCQCAWMYFX-ZIBATOQPSA-N 2 1 370.413 0.293 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188350058 1207450487 /nfs/dbraw/zinc/45/04/87/1207450487.db2.gz UBHRPCQCAWMYFX-ZIBATOQPSA-N 2 1 370.413 0.293 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405857 1207454596 /nfs/dbraw/zinc/45/45/96/1207454596.db2.gz QUFXXZWZDRPQGE-USXIJHARSA-N 2 1 359.474 0.705 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001188562029 1207463058 /nfs/dbraw/zinc/46/30/58/1207463058.db2.gz MJBHPCDXUKUXRD-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001188562029 1207463063 /nfs/dbraw/zinc/46/30/63/1207463063.db2.gz MJBHPCDXUKUXRD-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610025 1207466412 /nfs/dbraw/zinc/46/64/12/1207466412.db2.gz JVPZIKAJDVOXLH-VVJOJPPRSA-N 2 1 363.502 0.807 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963169 1207493114 /nfs/dbraw/zinc/49/31/14/1207493114.db2.gz LBHTWMOOFQBEEM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963169 1207493120 /nfs/dbraw/zinc/49/31/20/1207493120.db2.gz LBHTWMOOFQBEEM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001189034401 1207497792 /nfs/dbraw/zinc/49/77/92/1207497792.db2.gz JQMIODLQOGRVOL-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001189034401 1207497800 /nfs/dbraw/zinc/49/78/00/1207497800.db2.gz JQMIODLQOGRVOL-FHLIZLRMSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC001189061206 1207498689 /nfs/dbraw/zinc/49/86/89/1207498689.db2.gz BJGDLDIZVOKTEM-LZLYRXPVSA-N 2 1 369.506 0.027 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C3CC3)C3CC3)C[C@H]21 ZINC001189055690 1207498914 /nfs/dbraw/zinc/49/89/14/1207498914.db2.gz ZLSTVWWBCLMZLF-DLBZAZTESA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C3CC3)C3CC3)C[C@H]21 ZINC001189055690 1207498919 /nfs/dbraw/zinc/49/89/19/1207498919.db2.gz ZLSTVWWBCLMZLF-DLBZAZTESA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001189110482 1207501706 /nfs/dbraw/zinc/50/17/06/1207501706.db2.gz PSTIZUIDGJFYPO-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543269 1207564867 /nfs/dbraw/zinc/56/48/67/1207564867.db2.gz CMBOEADRWPUMBX-JCGIZDLHSA-N 2 1 371.441 0.421 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543269 1207564873 /nfs/dbraw/zinc/56/48/73/1207564873.db2.gz CMBOEADRWPUMBX-JCGIZDLHSA-N 2 1 371.441 0.421 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001189786316 1207600074 /nfs/dbraw/zinc/60/00/74/1207600074.db2.gz DFWOVDHZAKIIPF-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CC1 ZINC001189786316 1207600078 /nfs/dbraw/zinc/60/00/78/1207600078.db2.gz DFWOVDHZAKIIPF-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899133 1207624783 /nfs/dbraw/zinc/62/47/83/1207624783.db2.gz YZSCPYADCCVZOM-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899133 1207624787 /nfs/dbraw/zinc/62/47/87/1207624787.db2.gz YZSCPYADCCVZOM-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899133 1207624790 /nfs/dbraw/zinc/62/47/90/1207624790.db2.gz YZSCPYADCCVZOM-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001189899133 1207624793 /nfs/dbraw/zinc/62/47/93/1207624793.db2.gz YZSCPYADCCVZOM-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001190176787 1207657409 /nfs/dbraw/zinc/65/74/09/1207657409.db2.gz GDXHAHJFZVPJFG-JKSUJKDBSA-N 2 1 362.478 0.432 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001190176787 1207657413 /nfs/dbraw/zinc/65/74/13/1207657413.db2.gz GDXHAHJFZVPJFG-JKSUJKDBSA-N 2 1 362.478 0.432 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001190238038 1207666329 /nfs/dbraw/zinc/66/63/29/1207666329.db2.gz IELXTUJULJKLBZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001190238038 1207666336 /nfs/dbraw/zinc/66/63/36/1207666336.db2.gz IELXTUJULJKLBZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001190238038 1207666342 /nfs/dbraw/zinc/66/63/42/1207666342.db2.gz IELXTUJULJKLBZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001190238038 1207666348 /nfs/dbraw/zinc/66/63/48/1207666348.db2.gz IELXTUJULJKLBZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001190371385 1207683644 /nfs/dbraw/zinc/68/36/44/1207683644.db2.gz TTXMDCBFZNRGFS-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001190371385 1207683650 /nfs/dbraw/zinc/68/36/50/1207683650.db2.gz TTXMDCBFZNRGFS-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001190371385 1207683654 /nfs/dbraw/zinc/68/36/54/1207683654.db2.gz TTXMDCBFZNRGFS-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001190371385 1207683662 /nfs/dbraw/zinc/68/36/62/1207683662.db2.gz TTXMDCBFZNRGFS-IXDOHACOSA-N 2 1 366.506 0.107 20 0 FCADMP CCc1ccc([C@@H](O)C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)cc1 ZINC001220688814 1225015577 /nfs/dbraw/zinc/01/55/77/1225015577.db2.gz QQIPNNACHKXFNI-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)cc1 ZINC001220688814 1225015583 /nfs/dbraw/zinc/01/55/83/1225015583.db2.gz QQIPNNACHKXFNI-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)cc1 ZINC001220688814 1225015598 /nfs/dbraw/zinc/01/55/98/1225015598.db2.gz QQIPNNACHKXFNI-QYZOEREBSA-N 2 1 363.502 0.786 20 0 FCADMP C[N@@H+](CC(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001273641410 1207838070 /nfs/dbraw/zinc/83/80/70/1207838070.db2.gz JGVSGELOYUHJIX-QGZVFWFLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001193102290 1207858406 /nfs/dbraw/zinc/85/84/06/1207858406.db2.gz GKFRYKDUERCWMX-NXWXRZEISA-N 2 1 361.486 0.957 20 0 FCADMP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001193102410 1207858673 /nfs/dbraw/zinc/85/86/73/1207858673.db2.gz IYBYGULSKXWGQK-DJIMGWMZSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001193102410 1207858674 /nfs/dbraw/zinc/85/86/74/1207858674.db2.gz IYBYGULSKXWGQK-DJIMGWMZSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001193102410 1207858676 /nfs/dbraw/zinc/85/86/76/1207858676.db2.gz IYBYGULSKXWGQK-DJIMGWMZSA-N 2 1 364.490 0.985 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193447357 1207873169 /nfs/dbraw/zinc/87/31/69/1207873169.db2.gz PFSPAWPKZCFDFN-RCCFBDPRSA-N 2 1 367.465 0.520 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193447357 1207873171 /nfs/dbraw/zinc/87/31/71/1207873171.db2.gz PFSPAWPKZCFDFN-RCCFBDPRSA-N 2 1 367.465 0.520 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001193446955 1207873335 /nfs/dbraw/zinc/87/33/35/1207873335.db2.gz FEHJGDWAXZSRGY-RRFJBIMHSA-N 2 1 371.457 0.152 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001193446955 1207873336 /nfs/dbraw/zinc/87/33/36/1207873336.db2.gz FEHJGDWAXZSRGY-RRFJBIMHSA-N 2 1 371.457 0.152 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193727815 1207886041 /nfs/dbraw/zinc/88/60/41/1207886041.db2.gz NJXLSMWRKLOVAW-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193727815 1207886044 /nfs/dbraw/zinc/88/60/44/1207886044.db2.gz NJXLSMWRKLOVAW-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193727815 1207886045 /nfs/dbraw/zinc/88/60/45/1207886045.db2.gz NJXLSMWRKLOVAW-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001193727815 1207886046 /nfs/dbraw/zinc/88/60/46/1207886046.db2.gz NJXLSMWRKLOVAW-GUDVDZBRSA-N 2 1 367.534 0.942 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O)C1CC1 ZINC001193791603 1207889264 /nfs/dbraw/zinc/88/92/64/1207889264.db2.gz MMLVNZLIVQKMJL-ZACQAIPSSA-N 2 1 359.430 0.224 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)C1CC1 ZINC001193791603 1207889265 /nfs/dbraw/zinc/88/92/65/1207889265.db2.gz MMLVNZLIVQKMJL-ZACQAIPSSA-N 2 1 359.430 0.224 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001193902625 1207898328 /nfs/dbraw/zinc/89/83/28/1207898328.db2.gz VGMYTARQNNKBJU-RCCFBDPRSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC001193902625 1207898331 /nfs/dbraw/zinc/89/83/31/1207898331.db2.gz VGMYTARQNNKBJU-RCCFBDPRSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC001193902625 1207898332 /nfs/dbraw/zinc/89/83/32/1207898332.db2.gz VGMYTARQNNKBJU-RCCFBDPRSA-N 2 1 363.506 0.536 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001194039821 1207910524 /nfs/dbraw/zinc/91/05/24/1207910524.db2.gz WETYSUMGKITGMB-QZTJIDSGSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001194039821 1207910529 /nfs/dbraw/zinc/91/05/29/1207910529.db2.gz WETYSUMGKITGMB-QZTJIDSGSA-N 2 1 365.518 0.840 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001195677585 1208032870 /nfs/dbraw/zinc/03/28/70/1208032870.db2.gz UDUPBLJZNJNXKI-QZTJIDSGSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001195677585 1208032871 /nfs/dbraw/zinc/03/28/71/1208032871.db2.gz UDUPBLJZNJNXKI-QZTJIDSGSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)CC1 ZINC001195822112 1208042578 /nfs/dbraw/zinc/04/25/78/1208042578.db2.gz XXVFQTLXYKASGJ-RTBURBONSA-N 2 1 361.486 0.959 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O)[NH+](CC)CC ZINC001196133500 1208057648 /nfs/dbraw/zinc/05/76/48/1208057648.db2.gz WJSSMCXJNBUZMC-KZNAEPCWSA-N 2 1 365.522 0.782 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O)[NH+](CC)CC ZINC001196133500 1208057652 /nfs/dbraw/zinc/05/76/52/1208057652.db2.gz WJSSMCXJNBUZMC-KZNAEPCWSA-N 2 1 365.522 0.782 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169095 1208062876 /nfs/dbraw/zinc/06/28/76/1208062876.db2.gz OFFDBSPSXOSSBO-BHIYHBOVSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169095 1208062878 /nfs/dbraw/zinc/06/28/78/1208062878.db2.gz OFFDBSPSXOSSBO-BHIYHBOVSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169095 1208062880 /nfs/dbraw/zinc/06/28/80/1208062880.db2.gz OFFDBSPSXOSSBO-BHIYHBOVSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001196169095 1208062881 /nfs/dbraw/zinc/06/28/81/1208062881.db2.gz OFFDBSPSXOSSBO-BHIYHBOVSA-N 2 1 361.486 0.706 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001196169547 1208063242 /nfs/dbraw/zinc/06/32/42/1208063242.db2.gz UWAVJPJCJWCLJU-KBAYOESNSA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196169547 1208063246 /nfs/dbraw/zinc/06/32/46/1208063246.db2.gz UWAVJPJCJWCLJU-KBAYOESNSA-N 2 1 364.490 0.732 20 0 FCADMP CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222224 1208067227 /nfs/dbraw/zinc/06/72/27/1208067227.db2.gz KIPQUFSJFXTAPH-ARFHVFGLSA-N 2 1 370.538 0.430 20 0 FCADMP CCN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222315 1208067330 /nfs/dbraw/zinc/06/73/30/1208067330.db2.gz KORYUFNAYPLZAP-ARFHVFGLSA-N 2 1 370.538 0.383 20 0 FCADMP CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)C1CC1 ZINC001196221986 1208067505 /nfs/dbraw/zinc/06/75/05/1208067505.db2.gz DDJJYCNXIVYMOU-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196298872 1208072766 /nfs/dbraw/zinc/07/27/66/1208072766.db2.gz DFNQPHDUMWCUSQ-QXAKKESOSA-N 2 1 361.486 0.849 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001196926562 1208119344 /nfs/dbraw/zinc/11/93/44/1208119344.db2.gz ZEWMMNGAEWLOMD-KZNAEPCWSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001196926562 1208119346 /nfs/dbraw/zinc/11/93/46/1208119346.db2.gz ZEWMMNGAEWLOMD-KZNAEPCWSA-N 2 1 364.490 0.950 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001197058442 1208132498 /nfs/dbraw/zinc/13/24/98/1208132498.db2.gz TZLSWOZKKYQREU-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001197058442 1208132501 /nfs/dbraw/zinc/13/25/01/1208132501.db2.gz TZLSWOZKKYQREU-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404094 1208160297 /nfs/dbraw/zinc/16/02/97/1208160297.db2.gz OJRIXOQAOXICNE-IXDOHACOSA-N 2 1 368.522 0.312 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404094 1208160300 /nfs/dbraw/zinc/16/03/00/1208160300.db2.gz OJRIXOQAOXICNE-IXDOHACOSA-N 2 1 368.522 0.312 20 0 FCADMP C[N@H+]1CCCN(Cc2cccc(C(=O)NCCN3CC4(COC4)C3)c2)CC1 ZINC001197520147 1208170062 /nfs/dbraw/zinc/17/00/62/1208170062.db2.gz AXTLNOGVWDBHKY-UHFFFAOYSA-N 2 1 372.513 0.886 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001197792125 1208196757 /nfs/dbraw/zinc/19/67/57/1208196757.db2.gz KIWRXTLAKCUVLL-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2O)C1 ZINC001197792125 1208196760 /nfs/dbraw/zinc/19/67/60/1208196760.db2.gz KIWRXTLAKCUVLL-GUDVDZBRSA-N 2 1 361.486 0.706 20 0 FCADMP CCc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197825806 1208201990 /nfs/dbraw/zinc/20/19/90/1208201990.db2.gz IQCJHXPKGSSWFO-RTBURBONSA-N 2 1 363.502 0.531 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)ccn1 ZINC001197949274 1208208465 /nfs/dbraw/zinc/20/84/65/1208208465.db2.gz QJHJHUXVNPWELJ-IAGOWNOFSA-N 2 1 363.506 0.541 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)ccn1 ZINC001197949274 1208208467 /nfs/dbraw/zinc/20/84/67/1208208467.db2.gz QJHJHUXVNPWELJ-IAGOWNOFSA-N 2 1 363.506 0.541 20 0 FCADMP COCCC1([NH3+])CCN(C(=O)c2ccncc2N2CC[NH+](C)CC2)CC1 ZINC001198157782 1208224894 /nfs/dbraw/zinc/22/48/94/1208224894.db2.gz NFHYWBVFINHXCS-UHFFFAOYSA-N 2 1 361.490 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661102 1208280164 /nfs/dbraw/zinc/28/01/64/1208280164.db2.gz AFVNMKKCXOPKKH-QXAKKESOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661102 1208280167 /nfs/dbraw/zinc/28/01/67/1208280167.db2.gz AFVNMKKCXOPKKH-QXAKKESOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661102 1208280168 /nfs/dbraw/zinc/28/01/68/1208280168.db2.gz AFVNMKKCXOPKKH-QXAKKESOSA-N 2 1 361.486 0.959 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)n1 ZINC001199029557 1208312910 /nfs/dbraw/zinc/31/29/10/1208312910.db2.gz LFEBUAQIYXDUAT-QZTJIDSGSA-N 2 1 363.506 0.537 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1O ZINC001199111775 1208321477 /nfs/dbraw/zinc/32/14/77/1208321477.db2.gz LNYIDKGGQYFNKE-RTBURBONSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001199111775 1208321480 /nfs/dbraw/zinc/32/14/80/1208321480.db2.gz LNYIDKGGQYFNKE-RTBURBONSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001199111775 1208321483 /nfs/dbraw/zinc/32/14/83/1208321483.db2.gz LNYIDKGGQYFNKE-RTBURBONSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001199111775 1208321485 /nfs/dbraw/zinc/32/14/85/1208321485.db2.gz LNYIDKGGQYFNKE-RTBURBONSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111961 1208322096 /nfs/dbraw/zinc/32/20/96/1208322096.db2.gz UEEYOINQHPBZIT-ARFHVFGLSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111961 1208322100 /nfs/dbraw/zinc/32/21/00/1208322100.db2.gz UEEYOINQHPBZIT-ARFHVFGLSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111961 1208322102 /nfs/dbraw/zinc/32/21/02/1208322102.db2.gz UEEYOINQHPBZIT-ARFHVFGLSA-N 2 1 363.458 0.328 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001199111961 1208322106 /nfs/dbraw/zinc/32/21/06/1208322106.db2.gz UEEYOINQHPBZIT-ARFHVFGLSA-N 2 1 363.458 0.328 20 0 FCADMP Cc1ncoc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119490 1208322570 /nfs/dbraw/zinc/32/25/70/1208322570.db2.gz HGSIZKAWGHRNRH-NUJGCVRESA-N 2 1 358.442 0.947 20 0 FCADMP C[C@@H](NC(=O)[C@H](F)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000867306498 1208329454 /nfs/dbraw/zinc/32/94/54/1208329454.db2.gz MPIAKMFRCYPBBT-HALDLXJZSA-N 2 1 366.481 0.858 20 0 FCADMP C[C@@H](NC(=O)[C@H](F)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000867306498 1208329457 /nfs/dbraw/zinc/32/94/57/1208329457.db2.gz MPIAKMFRCYPBBT-HALDLXJZSA-N 2 1 366.481 0.858 20 0 FCADMP C[C@@H](NC(=O)[C@H](F)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000867306498 1208329461 /nfs/dbraw/zinc/32/94/61/1208329461.db2.gz MPIAKMFRCYPBBT-HALDLXJZSA-N 2 1 366.481 0.858 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755450 1225057342 /nfs/dbraw/zinc/05/73/42/1225057342.db2.gz PCEVSGNYJZMSDV-UHOSZYNNSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755450 1225057351 /nfs/dbraw/zinc/05/73/51/1225057351.db2.gz PCEVSGNYJZMSDV-UHOSZYNNSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755450 1225057363 /nfs/dbraw/zinc/05/73/63/1225057363.db2.gz PCEVSGNYJZMSDV-UHOSZYNNSA-N 2 1 361.486 0.959 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1O)Cc1ccccc1 ZINC001199377942 1208344519 /nfs/dbraw/zinc/34/45/19/1208344519.db2.gz RNSKQDXEUVFAQX-RTBURBONSA-N 2 1 354.454 0.875 20 0 FCADMP O=C(Cn1ccnc1)N[C@@H]1CN(C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199405769 1208349629 /nfs/dbraw/zinc/34/96/29/1208349629.db2.gz KUEGUYQVMICZFM-KZNAEPCWSA-N 2 1 358.442 0.038 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000776069370 1208394316 /nfs/dbraw/zinc/39/43/16/1208394316.db2.gz ONLCYERPTMGBEL-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001273856289 1208434314 /nfs/dbraw/zinc/43/43/14/1208434314.db2.gz QXSQLODZXOPQMX-DLBZAZTESA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001273856289 1208434316 /nfs/dbraw/zinc/43/43/16/1208434316.db2.gz QXSQLODZXOPQMX-DLBZAZTESA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001273856289 1208434320 /nfs/dbraw/zinc/43/43/20/1208434320.db2.gz QXSQLODZXOPQMX-DLBZAZTESA-N 2 1 357.454 0.824 20 0 FCADMP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001273856289 1208434323 /nfs/dbraw/zinc/43/43/23/1208434323.db2.gz QXSQLODZXOPQMX-DLBZAZTESA-N 2 1 357.454 0.824 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488537072 1208532672 /nfs/dbraw/zinc/53/26/72/1208532672.db2.gz XSDSYEANHZNBJM-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488537072 1208532678 /nfs/dbraw/zinc/53/26/78/1208532678.db2.gz XSDSYEANHZNBJM-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP COCCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488537072 1208532686 /nfs/dbraw/zinc/53/26/86/1208532686.db2.gz XSDSYEANHZNBJM-GVDBMIGSSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001489382292 1208804643 /nfs/dbraw/zinc/80/46/43/1208804643.db2.gz ZJAGWAIVDPUXCU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001489527249 1208881998 /nfs/dbraw/zinc/88/19/98/1208881998.db2.gz ZDQSBJGWLBTICK-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001489534771 1208896248 /nfs/dbraw/zinc/89/62/48/1208896248.db2.gz GWYOVQLWLQUTHX-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001489545073 1208906221 /nfs/dbraw/zinc/90/62/21/1208906221.db2.gz DCZSRTQGOGGWNO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001489545073 1208906225 /nfs/dbraw/zinc/90/62/25/1208906225.db2.gz DCZSRTQGOGGWNO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001489545073 1208906228 /nfs/dbraw/zinc/90/62/28/1208906228.db2.gz DCZSRTQGOGGWNO-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001489622314 1209053434 /nfs/dbraw/zinc/05/34/34/1209053434.db2.gz FFRVWZXTRPQTGG-HLLBOEOZSA-N 2 1 370.538 0.238 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1=O)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001220874380 1225118703 /nfs/dbraw/zinc/11/87/03/1225118703.db2.gz HSCSERNDKCLAKT-UHFFFAOYSA-N 2 1 362.449 0.286 20 0 FCADMP O=C1[C@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000852334906 1209543742 /nfs/dbraw/zinc/54/37/42/1209543742.db2.gz BIWVQYYSDLKBQF-KURKYZTESA-N 2 1 357.454 0.560 20 0 FCADMP O=C1[C@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000852334906 1209543743 /nfs/dbraw/zinc/54/37/43/1209543743.db2.gz BIWVQYYSDLKBQF-KURKYZTESA-N 2 1 357.454 0.560 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000852749370 1209562745 /nfs/dbraw/zinc/56/27/45/1209562745.db2.gz LIUIULDLRUREOP-YESZJQIVSA-N 2 1 366.506 0.997 20 0 FCADMP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935913 1225148994 /nfs/dbraw/zinc/14/89/94/1225148994.db2.gz ANKVPYZTUQOQQB-ROUUACIJSA-N 3 1 358.486 0.203 20 0 FCADMP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935913 1225149000 /nfs/dbraw/zinc/14/90/00/1225149000.db2.gz ANKVPYZTUQOQQB-ROUUACIJSA-N 3 1 358.486 0.203 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673572 1209607999 /nfs/dbraw/zinc/60/79/99/1209607999.db2.gz GWONINCZIMUCJG-ZACQAIPSSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673572 1209608001 /nfs/dbraw/zinc/60/80/01/1209608001.db2.gz GWONINCZIMUCJG-ZACQAIPSSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673572 1209608003 /nfs/dbraw/zinc/60/80/03/1209608003.db2.gz GWONINCZIMUCJG-ZACQAIPSSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673572 1209608005 /nfs/dbraw/zinc/60/80/05/1209608005.db2.gz GWONINCZIMUCJG-ZACQAIPSSA-N 2 1 365.522 0.900 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)CC(O)CC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000856073720 1209693976 /nfs/dbraw/zinc/69/39/76/1209693976.db2.gz VZVDUKKEJYZLQQ-HZPDHXFCSA-N 2 1 368.522 0.329 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001110747652 1209791560 /nfs/dbraw/zinc/79/15/60/1209791560.db2.gz WRQXDKAOTWGTCK-ZJPYXAASSA-N 2 1 371.485 0.860 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001110747652 1209791567 /nfs/dbraw/zinc/79/15/67/1209791567.db2.gz WRQXDKAOTWGTCK-ZJPYXAASSA-N 2 1 371.485 0.860 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748886 1209794406 /nfs/dbraw/zinc/79/44/06/1209794406.db2.gz WZKNEBRAQJPIFT-UWIFEVILSA-N 2 1 358.442 0.985 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799528 1209867311 /nfs/dbraw/zinc/86/73/11/1209867311.db2.gz WSHODMRXZLFZOT-ATLSCFEFSA-N 2 1 371.441 0.610 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000861756848 1209880286 /nfs/dbraw/zinc/88/02/86/1209880286.db2.gz BNELHWBCPDAUME-CVEARBPZSA-N 2 1 361.490 0.119 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(F)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000866193168 1209993425 /nfs/dbraw/zinc/99/34/25/1209993425.db2.gz LDOGCYCLVNLKOZ-HZPDHXFCSA-N 2 1 370.513 0.925 20 0 FCADMP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866713936 1210004572 /nfs/dbraw/zinc/00/45/72/1210004572.db2.gz BAVWNUFPVPGNTC-BBWFWOEESA-N 2 1 358.442 0.478 20 0 FCADMP Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866713936 1210004577 /nfs/dbraw/zinc/00/45/77/1210004577.db2.gz BAVWNUFPVPGNTC-BBWFWOEESA-N 2 1 358.442 0.478 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000868286524 1210049607 /nfs/dbraw/zinc/04/96/07/1210049607.db2.gz OHTUSDCUKXXWAF-LSDHHAIUSA-N 2 1 359.474 0.715 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868302459 1210051069 /nfs/dbraw/zinc/05/10/69/1210051069.db2.gz GRKVSIIPMYYYGV-OFQRWUPVSA-N 2 1 360.458 0.872 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375727 1210056767 /nfs/dbraw/zinc/05/67/67/1210056767.db2.gz VRPYBTMXWOBKQB-FGTMMUONSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375727 1210056772 /nfs/dbraw/zinc/05/67/72/1210056772.db2.gz VRPYBTMXWOBKQB-FGTMMUONSA-N 2 1 365.522 0.129 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC[C@H]21 ZINC000868375727 1210056773 /nfs/dbraw/zinc/05/67/73/1210056773.db2.gz VRPYBTMXWOBKQB-FGTMMUONSA-N 2 1 365.522 0.129 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000876807927 1210431543 /nfs/dbraw/zinc/43/15/43/1210431543.db2.gz BTTMEDMCAIZOQC-CVEARBPZSA-N 2 1 374.489 0.152 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001221081473 1225213911 /nfs/dbraw/zinc/21/39/11/1225213911.db2.gz NOWJWBUIDCFNRN-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001221081473 1225213917 /nfs/dbraw/zinc/21/39/17/1225213917.db2.gz NOWJWBUIDCFNRN-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC000878702634 1210463449 /nfs/dbraw/zinc/46/34/49/1210463449.db2.gz JNFUCQMMIHNURO-MAUKXSAKSA-N 2 1 362.474 0.052 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC000878702634 1210463454 /nfs/dbraw/zinc/46/34/54/1210463454.db2.gz JNFUCQMMIHNURO-MAUKXSAKSA-N 2 1 362.474 0.052 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089842 1225215801 /nfs/dbraw/zinc/21/58/01/1225215801.db2.gz RCHHXZVZSYOVOB-OTWHNJEPSA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089842 1225215803 /nfs/dbraw/zinc/21/58/03/1225215803.db2.gz RCHHXZVZSYOVOB-OTWHNJEPSA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089842 1225215810 /nfs/dbraw/zinc/21/58/10/1225215810.db2.gz RCHHXZVZSYOVOB-OTWHNJEPSA-N 2 1 363.502 0.746 20 0 FCADMP CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000880309451 1210526704 /nfs/dbraw/zinc/52/67/04/1210526704.db2.gz WXRSIUVYVHNCJB-BGYRXZFFSA-N 2 1 370.497 0.741 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC)ccn1 ZINC000882487271 1210623727 /nfs/dbraw/zinc/62/37/27/1210623727.db2.gz UFOIIZZFMQCELV-JKSUJKDBSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccnc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882487271 1210623747 /nfs/dbraw/zinc/62/37/47/1210623747.db2.gz UFOIIZZFMQCELV-JKSUJKDBSA-N 2 1 359.474 0.730 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1ccnc(C(=O)NC[C@H]2CC[N@H+]2CC)c1 ZINC000882487271 1210623758 /nfs/dbraw/zinc/62/37/58/1210623758.db2.gz UFOIIZZFMQCELV-JKSUJKDBSA-N 2 1 359.474 0.730 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000883441661 1210667386 /nfs/dbraw/zinc/66/73/86/1210667386.db2.gz UXWZSCJRBWEUGL-WMZOPIPTSA-N 2 1 368.522 0.897 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883653124 1210680321 /nfs/dbraw/zinc/68/03/21/1210680321.db2.gz MEHAQQHVHSIEGA-UHFFFAOYSA-N 2 1 367.538 0.202 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCN1c1cc[nH+]cc1 ZINC000883792060 1210690772 /nfs/dbraw/zinc/69/07/72/1210690772.db2.gz GXGHMKZDSCDGBM-RDJZCZTQSA-N 2 1 374.489 0.642 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000884503660 1210740549 /nfs/dbraw/zinc/74/05/49/1210740549.db2.gz PXYVNTMACFVMFI-OALUTQOASA-N 2 1 372.513 0.878 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000884522972 1210744254 /nfs/dbraw/zinc/74/42/54/1210744254.db2.gz MTQAKZWNMBBNGL-ATZDWAIDSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000884522972 1210744256 /nfs/dbraw/zinc/74/42/56/1210744256.db2.gz MTQAKZWNMBBNGL-ATZDWAIDSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000884522974 1210744656 /nfs/dbraw/zinc/74/46/56/1210744656.db2.gz MTQAKZWNMBBNGL-LZQZEXGQSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000884522974 1210744659 /nfs/dbraw/zinc/74/46/59/1210744659.db2.gz MTQAKZWNMBBNGL-LZQZEXGQSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000884539495 1210746290 /nfs/dbraw/zinc/74/62/90/1210746290.db2.gz BSOPNVKWNLKHNJ-YOEHRIQHSA-N 2 1 360.458 0.083 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000884539898 1210747467 /nfs/dbraw/zinc/74/74/67/1210747467.db2.gz NMDXOVKPBBMMQR-CRAIPNDOSA-N 2 1 374.485 0.188 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000884553851 1210748608 /nfs/dbraw/zinc/74/86/08/1210748608.db2.gz IRJAGCGQCSCSFX-BBRMVZONSA-N 2 1 356.470 0.690 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000884560211 1210751614 /nfs/dbraw/zinc/75/16/14/1210751614.db2.gz QPZPBEQIBBOEAE-VCBZYWHSSA-N 2 1 366.506 0.189 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884578275 1210756845 /nfs/dbraw/zinc/75/68/45/1210756845.db2.gz WVRXBXXPJZCOHL-HDICACEKSA-N 2 1 356.470 0.514 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000884601206 1210759510 /nfs/dbraw/zinc/75/95/10/1210759510.db2.gz DTDJBVNGGMYLOX-GOSISDBHSA-N 2 1 374.485 0.769 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000884601206 1210759517 /nfs/dbraw/zinc/75/95/17/1210759517.db2.gz DTDJBVNGGMYLOX-GOSISDBHSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884604950 1210760701 /nfs/dbraw/zinc/76/07/01/1210760701.db2.gz RXVFIAXLAZBIFM-OQIJWPOYSA-N 2 1 370.497 0.976 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000884617552 1210763817 /nfs/dbraw/zinc/76/38/17/1210763817.db2.gz OFEVKIVFWCXRJW-KBXCAEBGSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000884617552 1210763820 /nfs/dbraw/zinc/76/38/20/1210763820.db2.gz OFEVKIVFWCXRJW-KBXCAEBGSA-N 2 1 374.485 0.767 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884616703 1210764026 /nfs/dbraw/zinc/76/40/26/1210764026.db2.gz ARMIJHRPGVMNSD-ZWKOTPCHSA-N 2 1 358.486 0.808 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000884622109 1210764470 /nfs/dbraw/zinc/76/44/70/1210764470.db2.gz DXSMZRCYOXGGFU-CZUORRHYSA-N 2 1 359.474 0.660 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000884669700 1210775511 /nfs/dbraw/zinc/77/55/11/1210775511.db2.gz DNAKBYOYJDOBHC-KZNAEPCWSA-N 2 1 358.486 0.806 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000884669701 1210775986 /nfs/dbraw/zinc/77/59/86/1210775986.db2.gz DNAKBYOYJDOBHC-SQNIBIBYSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884697531 1210783056 /nfs/dbraw/zinc/78/30/56/1210783056.db2.gz AXZLGYLNTQNJQX-OXFYSEKESA-N 2 1 358.486 0.678 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000884699008 1210783965 /nfs/dbraw/zinc/78/39/65/1210783965.db2.gz WEANZAVGLNJGBN-YOEHRIQHSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000884699008 1210783974 /nfs/dbraw/zinc/78/39/74/1210783974.db2.gz WEANZAVGLNJGBN-YOEHRIQHSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000884706488 1210785287 /nfs/dbraw/zinc/78/52/87/1210785287.db2.gz DXJNNGMGXHCGEE-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000884706488 1210785294 /nfs/dbraw/zinc/78/52/94/1210785294.db2.gz DXJNNGMGXHCGEE-MSOLQXFVSA-N 2 1 374.485 0.166 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884719305 1210787994 /nfs/dbraw/zinc/78/79/94/1210787994.db2.gz HTVXZWJEOXCLET-FPAYPSAMSA-N 2 1 372.513 0.985 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000884720725 1210788345 /nfs/dbraw/zinc/78/83/45/1210788345.db2.gz TUWBYYADBAYKCJ-SZMVWBNQSA-N 2 1 358.486 0.800 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884722656 1210789881 /nfs/dbraw/zinc/78/98/81/1210789881.db2.gz GTNZXWOFGVGQNF-JFIYKMOQSA-N 2 1 360.502 0.985 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@H]21 ZINC000884725993 1210790402 /nfs/dbraw/zinc/79/04/02/1210790402.db2.gz DLIOEDFUROUJHE-GRBKSZCHSA-N 2 1 374.529 0.809 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)cc1 ZINC000884752814 1210792710 /nfs/dbraw/zinc/79/27/10/1210792710.db2.gz ZJSWDHDXPTUVFI-QGZVFWFLSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884797181 1210796939 /nfs/dbraw/zinc/79/69/39/1210796939.db2.gz QIPZQCYTPQKRMO-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833005 1210799820 /nfs/dbraw/zinc/79/98/20/1210799820.db2.gz DVGQQFNNXRDSRA-YSHGAJCASA-N 2 1 370.497 0.691 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884833581 1210800433 /nfs/dbraw/zinc/80/04/33/1210800433.db2.gz MMRVDYPUZXWAJT-NEWSRXKRSA-N 2 1 372.513 0.939 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834566 1210800442 /nfs/dbraw/zinc/80/04/42/1210800442.db2.gz YPLQBVHLXLMAPH-BPQIPLTHSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884834568 1210800557 /nfs/dbraw/zinc/80/05/57/1210800557.db2.gz YPLQBVHLXLMAPH-KBAYOESNSA-N 2 1 358.486 0.820 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884839874 1210800732 /nfs/dbraw/zinc/80/07/32/1210800732.db2.gz BMMDMRSODSBZTQ-UHFFFAOYSA-N 2 1 358.486 0.891 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884924012 1210804306 /nfs/dbraw/zinc/80/43/06/1210804306.db2.gz XSBRZXLCJVLXOQ-JYJNAYRXSA-N 2 1 366.506 0.332 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000884982908 1210806524 /nfs/dbraw/zinc/80/65/24/1210806524.db2.gz LKLZHGLWZFMMFJ-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)C2)cc1 ZINC000884982600 1210806562 /nfs/dbraw/zinc/80/65/62/1210806562.db2.gz GHRXAHGMBDYSHF-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884983280 1210806852 /nfs/dbraw/zinc/80/68/52/1210806852.db2.gz QAKJYPQIWKPKRQ-ZWKOTPCHSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000884983775 1210806890 /nfs/dbraw/zinc/80/68/90/1210806890.db2.gz WDTQKISCVSYSOE-SQNIBIBYSA-N 2 1 356.470 0.506 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000884983115 1210806987 /nfs/dbraw/zinc/80/69/87/1210806987.db2.gz FINYORCQRVGKHU-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000884983115 1210806989 /nfs/dbraw/zinc/80/69/89/1210806989.db2.gz FINYORCQRVGKHU-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983551 1210807135 /nfs/dbraw/zinc/80/71/35/1210807135.db2.gz LRGSHBWWWJYYFR-ROUUACIJSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1 ZINC000884983551 1210807136 /nfs/dbraw/zinc/80/71/36/1210807136.db2.gz LRGSHBWWWJYYFR-ROUUACIJSA-N 2 1 374.485 0.132 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000885018253 1210808807 /nfs/dbraw/zinc/80/88/07/1210808807.db2.gz LGYZUORMBGRJPA-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000885018253 1210808809 /nfs/dbraw/zinc/80/88/09/1210808809.db2.gz LGYZUORMBGRJPA-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018101 1210808868 /nfs/dbraw/zinc/80/88/68/1210808868.db2.gz IRFPEPCJIMBRHD-QZTJIDSGSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018101 1210808870 /nfs/dbraw/zinc/80/88/70/1210808870.db2.gz IRFPEPCJIMBRHD-QZTJIDSGSA-N 2 1 374.485 0.132 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)c1 ZINC000885017732 1210809067 /nfs/dbraw/zinc/80/90/67/1210809067.db2.gz CZZZAIPHUJFZMK-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)c1 ZINC000885017732 1210809068 /nfs/dbraw/zinc/80/90/68/1210809068.db2.gz CZZZAIPHUJFZMK-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140735 1210811809 /nfs/dbraw/zinc/81/18/09/1210811809.db2.gz XNPRBQRRDJPEBF-CVEARBPZSA-N 2 1 366.506 0.109 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141082 1210812118 /nfs/dbraw/zinc/81/21/18/1210812118.db2.gz HIHPQZJXKDGIPI-MRXNPFEDSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167833 1210814555 /nfs/dbraw/zinc/81/45/55/1210814555.db2.gz PRRVOSRHVRQUMH-GBESFXJTSA-N 2 1 370.497 0.760 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)ccn2)CC1 ZINC000885865720 1210820321 /nfs/dbraw/zinc/82/03/21/1210820321.db2.gz LOENBVSTOJKKSV-SFHVURJKSA-N 2 1 373.501 0.817 20 0 FCADMP O=C(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000886872537 1210838872 /nfs/dbraw/zinc/83/88/72/1210838872.db2.gz VBERJJUIZUFPNN-HXUWFJFHSA-N 2 1 372.517 0.981 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000887061400 1210844129 /nfs/dbraw/zinc/84/41/29/1210844129.db2.gz VHNGIRLVSIWWGJ-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064987 1210844781 /nfs/dbraw/zinc/84/47/81/1210844781.db2.gz SVKCDDYXORBNJX-RYQLBKOJSA-N 2 1 358.486 0.773 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887130585 1210848884 /nfs/dbraw/zinc/84/88/84/1210848884.db2.gz HFIRQRVKZGNSDC-CVEARBPZSA-N 2 1 359.474 0.671 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887130585 1210848885 /nfs/dbraw/zinc/84/88/85/1210848885.db2.gz HFIRQRVKZGNSDC-CVEARBPZSA-N 2 1 359.474 0.671 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000887632300 1210883904 /nfs/dbraw/zinc/88/39/04/1210883904.db2.gz KBAHBUJXRVNGPC-HOTGVXAUSA-N 2 1 369.510 0.105 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1CN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001274160474 1210900855 /nfs/dbraw/zinc/90/08/55/1210900855.db2.gz FSKGVCJAAIXGKC-ZDUSSCGKSA-N 2 1 364.494 0.616 20 0 FCADMP C[C@@H](C(=O)N1Cc2n[nH]c(C(=O)N3CCC([NH+](C)C)CC3)c2C1)[NH+](C)C ZINC001274162573 1210900901 /nfs/dbraw/zinc/90/09/01/1210900901.db2.gz TWJNDAVVVWXDND-LBPRGKRZSA-N 2 1 362.478 0.368 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274178533 1210905494 /nfs/dbraw/zinc/90/54/94/1210905494.db2.gz DSNHMYSXDPUJBH-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889745654 1210946017 /nfs/dbraw/zinc/94/60/17/1210946017.db2.gz XOQDHAVNXIADSD-ZACQAIPSSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889745654 1210946021 /nfs/dbraw/zinc/94/60/21/1210946021.db2.gz XOQDHAVNXIADSD-ZACQAIPSSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000889745654 1210946023 /nfs/dbraw/zinc/94/60/23/1210946023.db2.gz XOQDHAVNXIADSD-ZACQAIPSSA-N 2 1 367.490 0.319 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000889745654 1210946026 /nfs/dbraw/zinc/94/60/26/1210946026.db2.gz XOQDHAVNXIADSD-ZACQAIPSSA-N 2 1 367.490 0.319 20 0 FCADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC000890138314 1210968221 /nfs/dbraw/zinc/96/82/21/1210968221.db2.gz WHVWZMUXALIVBD-SFHVURJKSA-N 2 1 365.522 0.344 20 0 FCADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000890138314 1210968226 /nfs/dbraw/zinc/96/82/26/1210968226.db2.gz WHVWZMUXALIVBD-SFHVURJKSA-N 2 1 365.522 0.344 20 0 FCADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890138314 1210968231 /nfs/dbraw/zinc/96/82/31/1210968231.db2.gz WHVWZMUXALIVBD-SFHVURJKSA-N 2 1 365.522 0.344 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095404967 1210983860 /nfs/dbraw/zinc/98/38/60/1210983860.db2.gz IBPBAYAXVDJVCU-QZWWFDLISA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095404967 1210983865 /nfs/dbraw/zinc/98/38/65/1210983865.db2.gz IBPBAYAXVDJVCU-QZWWFDLISA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001095404967 1210983868 /nfs/dbraw/zinc/98/38/68/1210983868.db2.gz IBPBAYAXVDJVCU-QZWWFDLISA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001095404967 1210983870 /nfs/dbraw/zinc/98/38/70/1210983870.db2.gz IBPBAYAXVDJVCU-QZWWFDLISA-N 2 1 363.506 0.606 20 0 FCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCOc1cccc(F)c1 ZINC000174712617 1210985036 /nfs/dbraw/zinc/98/50/36/1210985036.db2.gz MOZAQJFXFCGDAY-UHFFFAOYSA-N 2 1 366.481 0.890 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCOc1cccc(F)c1 ZINC000174712617 1210985040 /nfs/dbraw/zinc/98/50/40/1210985040.db2.gz MOZAQJFXFCGDAY-UHFFFAOYSA-N 2 1 366.481 0.890 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274401542 1211045432 /nfs/dbraw/zinc/04/54/32/1211045432.db2.gz SKLADFOLTRBTHY-CALCHBBNSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)C[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001275064176 1211173685 /nfs/dbraw/zinc/17/36/85/1211173685.db2.gz OZLILWYYGBFVIJ-HXUWFJFHSA-N 2 1 366.550 0.831 20 0 FCADMP CC(C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275064176 1211173686 /nfs/dbraw/zinc/17/36/86/1211173686.db2.gz OZLILWYYGBFVIJ-HXUWFJFHSA-N 2 1 366.550 0.831 20 0 FCADMP CC(C)C[N@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001275064176 1211173688 /nfs/dbraw/zinc/17/36/88/1211173688.db2.gz OZLILWYYGBFVIJ-HXUWFJFHSA-N 2 1 366.550 0.831 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143376 1211179499 /nfs/dbraw/zinc/17/94/99/1211179499.db2.gz UGTVJWMYPGBHHC-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143376 1211179503 /nfs/dbraw/zinc/17/95/03/1211179503.db2.gz UGTVJWMYPGBHHC-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143376 1211179510 /nfs/dbraw/zinc/17/95/10/1211179510.db2.gz UGTVJWMYPGBHHC-QUCCMNQESA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171637 1211187952 /nfs/dbraw/zinc/18/79/52/1211187952.db2.gz KUALGDMCGSWZLB-KSZLIROESA-N 2 1 360.506 0.326 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171637 1211187953 /nfs/dbraw/zinc/18/79/53/1211187953.db2.gz KUALGDMCGSWZLB-KSZLIROESA-N 2 1 360.506 0.326 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275171637 1211187956 /nfs/dbraw/zinc/18/79/56/1211187956.db2.gz KUALGDMCGSWZLB-KSZLIROESA-N 2 1 360.506 0.326 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001275171979 1211188708 /nfs/dbraw/zinc/18/87/08/1211188708.db2.gz QQAKHVCVANQEPW-MRXNPFEDSA-N 2 1 359.474 0.067 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001275171979 1211188712 /nfs/dbraw/zinc/18/87/12/1211188712.db2.gz QQAKHVCVANQEPW-MRXNPFEDSA-N 2 1 359.474 0.067 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(=O)[nH]1)C2 ZINC001275171979 1211188715 /nfs/dbraw/zinc/18/87/15/1211188715.db2.gz QQAKHVCVANQEPW-MRXNPFEDSA-N 2 1 359.474 0.067 20 0 FCADMP Cc1ncc(CO)c(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1O ZINC001275335863 1211217248 /nfs/dbraw/zinc/21/72/48/1211217248.db2.gz XBHFCAHUXMBWEE-IBGZPJMESA-N 2 1 362.474 0.574 20 0 FCADMP COc1cc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)ccn1 ZINC001275404808 1211232193 /nfs/dbraw/zinc/23/21/93/1211232193.db2.gz FNHBAZLIBNICQK-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP COc1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)ccn1 ZINC001275406598 1211232325 /nfs/dbraw/zinc/23/23/25/1211232325.db2.gz OZKSCDRHUQVMMA-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)ccn1 ZINC001275406598 1211232329 /nfs/dbraw/zinc/23/23/29/1211232329.db2.gz OZKSCDRHUQVMMA-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O)OC ZINC001275443579 1211238261 /nfs/dbraw/zinc/23/82/61/1211238261.db2.gz QMARDSYVYYMVKL-SFHVURJKSA-N 2 1 362.430 0.454 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O)OC ZINC001275443579 1211238265 /nfs/dbraw/zinc/23/82/65/1211238265.db2.gz QMARDSYVYYMVKL-SFHVURJKSA-N 2 1 362.430 0.454 20 0 FCADMP CCN(CC)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnccc1N ZINC001275444436 1211239107 /nfs/dbraw/zinc/23/91/07/1211239107.db2.gz YBODVBATHIMHBW-IAGOWNOFSA-N 2 1 359.474 0.928 20 0 FCADMP Cn1cnnc1CN1CCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275455853 1211241749 /nfs/dbraw/zinc/24/17/49/1211241749.db2.gz QVTZOLSZLJAJTB-UHFFFAOYSA-N 2 1 355.446 0.637 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CCCC[C@]12CC(=O)N(C[C@@H]1CCC(=O)N1)C2 ZINC001275456237 1211242847 /nfs/dbraw/zinc/24/28/47/1211242847.db2.gz XGVIMTXXFJZOOW-HNAYVOBHSA-N 2 1 357.458 0.730 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@]12CC(=O)N(C[C@@H]1CCC(=O)N1)C2 ZINC001275456237 1211242849 /nfs/dbraw/zinc/24/28/49/1211242849.db2.gz XGVIMTXXFJZOOW-HNAYVOBHSA-N 2 1 357.458 0.730 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275556451 1211256308 /nfs/dbraw/zinc/25/63/08/1211256308.db2.gz KYHOOCXWKPPONJ-ZACQAIPSSA-N 2 1 367.490 0.582 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)CC1 ZINC001275556905 1211256420 /nfs/dbraw/zinc/25/64/20/1211256420.db2.gz QBTRLVJAFCRYFQ-LJQANCHMSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)OCC1=O ZINC001275715324 1211274596 /nfs/dbraw/zinc/27/45/96/1211274596.db2.gz OEYFQVWPMHYGGA-HXUWFJFHSA-N 2 1 359.470 0.986 20 0 FCADMP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736756 1211278913 /nfs/dbraw/zinc/27/89/13/1211278913.db2.gz GSVPMIONKPSMPL-IFXJQAMLSA-N 2 1 365.474 0.636 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738038 1211279143 /nfs/dbraw/zinc/27/91/43/1211279143.db2.gz SCGBHINZJISFJA-IBGZPJMESA-N 2 1 361.490 0.471 20 0 FCADMP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275737828 1211279323 /nfs/dbraw/zinc/27/93/23/1211279323.db2.gz OWKJWSSEVPKDNR-LJQANCHMSA-N 2 1 364.490 0.305 20 0 FCADMP CCOC(=O)[C@@H](C)N1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275743411 1211280202 /nfs/dbraw/zinc/28/02/02/1211280202.db2.gz QUCIRXKXMHEHLB-OAHLLOKOSA-N 2 1 367.490 0.583 20 0 FCADMP Cc1noc(CN2C(=O)COCC23C[NH+](CCC2CC[NH+](C)CC2)C3)n1 ZINC001275751033 1211281123 /nfs/dbraw/zinc/28/11/23/1211281123.db2.gz VNWOZAJQYATDNN-UHFFFAOYSA-N 2 1 363.462 0.523 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001275802087 1211286322 /nfs/dbraw/zinc/28/63/22/1211286322.db2.gz ZRUZALWGJOOBPU-QRQLOZEOSA-N 2 1 361.490 0.501 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001275802087 1211286325 /nfs/dbraw/zinc/28/63/25/1211286325.db2.gz ZRUZALWGJOOBPU-QRQLOZEOSA-N 2 1 361.490 0.501 20 0 FCADMP CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCN(C)C)CC2 ZINC001275842106 1211295830 /nfs/dbraw/zinc/29/58/30/1211295830.db2.gz HLPNIJTXAVYHAH-INIZCTEOSA-N 2 1 368.522 0.213 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[NH+](C[C@H]4CCC[N@@H+](C)C4)C3)OCC2=O)n1 ZINC001275877576 1211303502 /nfs/dbraw/zinc/30/35/02/1211303502.db2.gz BYRYLTQFNRKNOV-YJBOKZPZSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[NH+](C[C@H]4CCC[N@H+](C)C4)C3)OCC2=O)n1 ZINC001275877576 1211303507 /nfs/dbraw/zinc/30/35/07/1211303507.db2.gz BYRYLTQFNRKNOV-YJBOKZPZSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[N@@H+](C[C@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877576 1211303510 /nfs/dbraw/zinc/30/35/10/1211303510.db2.gz BYRYLTQFNRKNOV-YJBOKZPZSA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[N@H+](C[C@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877576 1211303514 /nfs/dbraw/zinc/30/35/14/1211303514.db2.gz BYRYLTQFNRKNOV-YJBOKZPZSA-N 2 1 363.462 0.523 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN(COCCOC)C(=O)CO3)CC1 ZINC001275881268 1211305180 /nfs/dbraw/zinc/30/51/80/1211305180.db2.gz YQORPRYLIZNRDN-IBGZPJMESA-N 2 1 369.506 0.642 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001095424207 1211334104 /nfs/dbraw/zinc/33/41/04/1211334104.db2.gz IKRPOODXWDDCRJ-YRXWBPOGSA-N 2 1 372.517 0.958 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001095432063 1211335012 /nfs/dbraw/zinc/33/50/12/1211335012.db2.gz RORCESHPNWYOCJ-BSWAZPDLSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001095432063 1211335017 /nfs/dbraw/zinc/33/50/17/1211335017.db2.gz RORCESHPNWYOCJ-BSWAZPDLSA-N 2 1 374.489 0.011 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)n1 ZINC001095438729 1211341099 /nfs/dbraw/zinc/34/10/99/1211341099.db2.gz FXDZPUPMCGSXNG-FUEZWAHWSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)n1 ZINC001095438729 1211341102 /nfs/dbraw/zinc/34/11/02/1211341102.db2.gz FXDZPUPMCGSXNG-FUEZWAHWSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)n1 ZINC001095438729 1211341103 /nfs/dbraw/zinc/34/11/03/1211341103.db2.gz FXDZPUPMCGSXNG-FUEZWAHWSA-N 2 1 360.506 0.957 20 0 FCADMP CNc1nccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276057473 1211342895 /nfs/dbraw/zinc/34/28/95/1211342895.db2.gz SYSHJHLMGVCENN-GOSISDBHSA-N 2 1 362.478 0.131 20 0 FCADMP CNc1nccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276057473 1211342898 /nfs/dbraw/zinc/34/28/98/1211342898.db2.gz SYSHJHLMGVCENN-GOSISDBHSA-N 2 1 362.478 0.131 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000545884761 1211425710 /nfs/dbraw/zinc/42/57/10/1211425710.db2.gz DWFVJBWSAGCDQX-SFHVURJKSA-N 2 1 362.478 0.428 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000545884761 1211425711 /nfs/dbraw/zinc/42/57/11/1211425711.db2.gz DWFVJBWSAGCDQX-SFHVURJKSA-N 2 1 362.478 0.428 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)O1 ZINC001095611067 1211426241 /nfs/dbraw/zinc/42/62/41/1211426241.db2.gz BNPKJEOEAYFNSC-UHDSXZAQSA-N 2 1 364.490 0.049 20 0 FCADMP Cc1nc(C[NH+]2CCC(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)CC2)oc1C ZINC000924618088 1211475266 /nfs/dbraw/zinc/47/52/66/1211475266.db2.gz IAALKFKRFNUGDP-OAHLLOKOSA-N 2 1 363.462 0.985 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926368896 1211540610 /nfs/dbraw/zinc/54/06/10/1211540610.db2.gz YCMYERRFLSYHBD-LHHMISFZSA-N 2 1 360.502 0.530 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635929 1211577319 /nfs/dbraw/zinc/57/73/19/1211577319.db2.gz BWQZGUJZXZSJOZ-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000927635929 1211577323 /nfs/dbraw/zinc/57/73/23/1211577323.db2.gz BWQZGUJZXZSJOZ-DOTOQJQBSA-N 2 1 368.522 0.726 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000927898059 1211590936 /nfs/dbraw/zinc/59/09/36/1211590936.db2.gz UYXHREDGHMOKCN-UONOGXRCSA-N 2 1 354.414 0.582 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001110956372 1211614689 /nfs/dbraw/zinc/61/46/89/1211614689.db2.gz FXVAPLWYBLQJCP-VQHPVUNQSA-N 2 1 361.490 0.307 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001110956723 1211615054 /nfs/dbraw/zinc/61/50/54/1211615054.db2.gz WVPDKEPJPUHUDE-HZMVEIRTSA-N 2 1 362.518 0.966 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000929351548 1211632327 /nfs/dbraw/zinc/63/23/27/1211632327.db2.gz FZKKQROYMAEWDM-GOSISDBHSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000929351548 1211632328 /nfs/dbraw/zinc/63/23/28/1211632328.db2.gz FZKKQROYMAEWDM-GOSISDBHSA-N 2 1 358.486 0.896 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000929353106 1211632430 /nfs/dbraw/zinc/63/24/30/1211632430.db2.gz DBQJGLBZLBQRTD-GOSISDBHSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000929353106 1211632436 /nfs/dbraw/zinc/63/24/36/1211632436.db2.gz DBQJGLBZLBQRTD-GOSISDBHSA-N 2 1 358.486 0.630 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976198 1211653060 /nfs/dbraw/zinc/65/30/60/1211653060.db2.gz GMIIXGBASOJQBS-TVFCKZIOSA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000929974561 1211677317 /nfs/dbraw/zinc/67/73/17/1211677317.db2.gz FYMPBSDGOXDMAF-INIZCTEOSA-N 2 1 362.474 0.106 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000929974561 1211677321 /nfs/dbraw/zinc/67/73/21/1211677321.db2.gz FYMPBSDGOXDMAF-INIZCTEOSA-N 2 1 362.474 0.106 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000929978980 1211677572 /nfs/dbraw/zinc/67/75/72/1211677572.db2.gz VDVOKWJLKGQWGF-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000929978980 1211677576 /nfs/dbraw/zinc/67/75/76/1211677576.db2.gz VDVOKWJLKGQWGF-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978980 1211677583 /nfs/dbraw/zinc/67/75/83/1211677583.db2.gz VDVOKWJLKGQWGF-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978980 1211677587 /nfs/dbraw/zinc/67/75/87/1211677587.db2.gz VDVOKWJLKGQWGF-KBAYOESNSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000929978983 1211677745 /nfs/dbraw/zinc/67/77/45/1211677745.db2.gz VDVOKWJLKGQWGF-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000929978983 1211677747 /nfs/dbraw/zinc/67/77/47/1211677747.db2.gz VDVOKWJLKGQWGF-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978983 1211677748 /nfs/dbraw/zinc/67/77/48/1211677748.db2.gz VDVOKWJLKGQWGF-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978983 1211677750 /nfs/dbraw/zinc/67/77/50/1211677750.db2.gz VDVOKWJLKGQWGF-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980138 1211683217 /nfs/dbraw/zinc/68/32/17/1211683217.db2.gz RLTGZUOHBHXLBI-MYPMTAMASA-N 2 1 365.478 0.036 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980138 1211683222 /nfs/dbraw/zinc/68/32/22/1211683222.db2.gz RLTGZUOHBHXLBI-MYPMTAMASA-N 2 1 365.478 0.036 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393383 1211705944 /nfs/dbraw/zinc/70/59/44/1211705944.db2.gz BEEOKOSMCHLTAB-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000930393383 1211705949 /nfs/dbraw/zinc/70/59/49/1211705949.db2.gz BEEOKOSMCHLTAB-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000930393383 1211705952 /nfs/dbraw/zinc/70/59/52/1211705952.db2.gz BEEOKOSMCHLTAB-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000930393383 1211705957 /nfs/dbraw/zinc/70/59/57/1211705957.db2.gz BEEOKOSMCHLTAB-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585963 1211714741 /nfs/dbraw/zinc/71/47/41/1211714741.db2.gz VSCJSESNTNAJTF-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585963 1211714746 /nfs/dbraw/zinc/71/47/46/1211714746.db2.gz VSCJSESNTNAJTF-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000930585963 1211714751 /nfs/dbraw/zinc/71/47/51/1211714751.db2.gz VSCJSESNTNAJTF-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000930585963 1211714759 /nfs/dbraw/zinc/71/47/59/1211714759.db2.gz VSCJSESNTNAJTF-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931607873 1211762706 /nfs/dbraw/zinc/76/27/06/1211762706.db2.gz ODBRNCWZTNLLHZ-HNNXBMFYSA-N 2 1 361.490 0.954 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000931610846 1211763479 /nfs/dbraw/zinc/76/34/79/1211763479.db2.gz HYXPJOOASCRFOJ-YOEHRIQHSA-N 2 1 359.474 0.707 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)O1 ZINC000947073366 1211775573 /nfs/dbraw/zinc/77/55/73/1211775573.db2.gz SMEPSBBMCSLRMU-XYPHTWIQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)O1 ZINC000947073366 1211775580 /nfs/dbraw/zinc/77/55/80/1211775580.db2.gz SMEPSBBMCSLRMU-XYPHTWIQSA-N 2 1 366.506 0.153 20 0 FCADMP CCOC(=O)[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(=O)OCC)C3)COC2)C1 ZINC000932646807 1211815347 /nfs/dbraw/zinc/81/53/47/1211815347.db2.gz UEOXOAXCDWBKKR-HOTGVXAUSA-N 2 1 368.474 0.773 20 0 FCADMP CCOC(=O)[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(=O)OCC)C3)COC2)C1 ZINC000932646807 1211815348 /nfs/dbraw/zinc/81/53/48/1211815348.db2.gz UEOXOAXCDWBKKR-HOTGVXAUSA-N 2 1 368.474 0.773 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000932807022 1211822934 /nfs/dbraw/zinc/82/29/34/1211822934.db2.gz LKLWSKMDXKEBKW-UHFFFAOYSA-N 2 1 368.441 0.662 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935365662 1211876790 /nfs/dbraw/zinc/87/67/90/1211876790.db2.gz KBTIIRJHLLPJGO-YESZJQIVSA-N 2 1 368.522 0.325 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935365662 1211876792 /nfs/dbraw/zinc/87/67/92/1211876792.db2.gz KBTIIRJHLLPJGO-YESZJQIVSA-N 2 1 368.522 0.325 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197955 1211923703 /nfs/dbraw/zinc/92/37/03/1211923703.db2.gz AFTGZSMOCNFMPJ-ABFRBSLYSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197955 1211923707 /nfs/dbraw/zinc/92/37/07/1211923707.db2.gz AFTGZSMOCNFMPJ-ABFRBSLYSA-N 2 1 366.506 0.295 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@](C)(C(N)=O)C3)cc2)CC1 ZINC000796579059 1212037357 /nfs/dbraw/zinc/03/73/57/1212037357.db2.gz BHSMKGQQBJMTEZ-HXUWFJFHSA-N 2 1 373.501 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC000968737834 1212106955 /nfs/dbraw/zinc/10/69/55/1212106955.db2.gz HKQPDHWIEHALFM-QLFBSQMISA-N 2 1 362.478 0.229 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC000968737834 1212106958 /nfs/dbraw/zinc/10/69/58/1212106958.db2.gz HKQPDHWIEHALFM-QLFBSQMISA-N 2 1 362.478 0.229 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281105 1212232283 /nfs/dbraw/zinc/23/22/83/1212232283.db2.gz GIMIVFLJHQNABI-OAGGEKHMSA-N 2 1 363.506 0.511 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281105 1212232285 /nfs/dbraw/zinc/23/22/85/1212232285.db2.gz GIMIVFLJHQNABI-OAGGEKHMSA-N 2 1 363.506 0.511 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC000969069286 1212254433 /nfs/dbraw/zinc/25/44/33/1212254433.db2.gz RVEONQJILGROSF-KBRIMQKVSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)O1 ZINC000969069286 1212254439 /nfs/dbraw/zinc/25/44/39/1212254439.db2.gz RVEONQJILGROSF-KBRIMQKVSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000949010837 1212275166 /nfs/dbraw/zinc/27/51/66/1212275166.db2.gz NIDNUXHDXMLKCQ-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000949010837 1212275172 /nfs/dbraw/zinc/27/51/72/1212275172.db2.gz NIDNUXHDXMLKCQ-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000949010837 1212275174 /nfs/dbraw/zinc/27/51/74/1212275174.db2.gz NIDNUXHDXMLKCQ-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000949010837 1212275179 /nfs/dbraw/zinc/27/51/79/1212275179.db2.gz NIDNUXHDXMLKCQ-OIISXLGYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](CC(=O)NC)CC3)C2)CC[N@@H+]1C ZINC000949098845 1212291131 /nfs/dbraw/zinc/29/11/31/1212291131.db2.gz HJRRSCDJMFKOTF-JKSUJKDBSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+](CC(=O)NC)CC3)C2)CC[N@H+]1C ZINC000949098845 1212291146 /nfs/dbraw/zinc/29/11/46/1212291146.db2.gz HJRRSCDJMFKOTF-JKSUJKDBSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000949213850 1212327077 /nfs/dbraw/zinc/32/70/77/1212327077.db2.gz ISUWTVLWMNLYMM-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001221560766 1225366436 /nfs/dbraw/zinc/36/64/36/1225366436.db2.gz GMQSXNYGYWSPFK-XMTFNYHQSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001221560766 1225366438 /nfs/dbraw/zinc/36/64/38/1225366438.db2.gz GMQSXNYGYWSPFK-XMTFNYHQSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC[NH+]1C ZINC001221560766 1225366444 /nfs/dbraw/zinc/36/64/44/1225366444.db2.gz GMQSXNYGYWSPFK-XMTFNYHQSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC[NH+]1C ZINC001221560766 1225366451 /nfs/dbraw/zinc/36/64/51/1225366451.db2.gz GMQSXNYGYWSPFK-XMTFNYHQSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000949532862 1212401655 /nfs/dbraw/zinc/40/16/55/1212401655.db2.gz LITKGWPFFWVMLN-YYIAUSFCSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001007370192 1212463988 /nfs/dbraw/zinc/46/39/88/1212463988.db2.gz XFMBTGIPXFJNEU-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001007370192 1212463993 /nfs/dbraw/zinc/46/39/93/1212463993.db2.gz XFMBTGIPXFJNEU-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001007370192 1212463998 /nfs/dbraw/zinc/46/39/98/1212463998.db2.gz XFMBTGIPXFJNEU-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000950391003 1212566359 /nfs/dbraw/zinc/56/63/59/1212566359.db2.gz PYCMYDMMGAPMBS-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007851847 1212592435 /nfs/dbraw/zinc/59/24/35/1212592435.db2.gz LLJQHDRVVQJXJB-YRNRMSPPSA-N 2 1 360.502 0.674 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000950788732 1212671226 /nfs/dbraw/zinc/67/12/26/1212671226.db2.gz MIGMJIBLAGQYCD-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000950788732 1212671232 /nfs/dbraw/zinc/67/12/32/1212671232.db2.gz MIGMJIBLAGQYCD-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)O1 ZINC000950792463 1212676232 /nfs/dbraw/zinc/67/62/32/1212676232.db2.gz GYVVCDQZQLBDEB-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)O1 ZINC000950792463 1212676235 /nfs/dbraw/zinc/67/62/35/1212676235.db2.gz GYVVCDQZQLBDEB-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC001009121347 1212807672 /nfs/dbraw/zinc/80/76/72/1212807672.db2.gz TYQVASBFFDDIRO-HHARLNAUSA-N 2 1 362.518 0.632 20 0 FCADMP Cc1cc(N2CCC[C@@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111373940 1212829595 /nfs/dbraw/zinc/82/95/95/1212829595.db2.gz VFJWJKFNBXLSAK-IDHHARJASA-N 2 1 361.490 0.881 20 0 FCADMP Cc1cc(N2CCC[C@@](CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111373940 1212829596 /nfs/dbraw/zinc/82/95/96/1212829596.db2.gz VFJWJKFNBXLSAK-IDHHARJASA-N 2 1 361.490 0.881 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001009287191 1212832331 /nfs/dbraw/zinc/83/23/31/1212832331.db2.gz USQCAZXPJGSLEA-UWVAXJGDSA-N 2 1 362.518 0.779 20 0 FCADMP C[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000951735010 1212867664 /nfs/dbraw/zinc/86/76/64/1212867664.db2.gz CURUVKAZAZPZRX-QLFBSQMISA-N 2 1 355.442 0.863 20 0 FCADMP C#CCC[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000081315493 1212889820 /nfs/dbraw/zinc/88/98/20/1212889820.db2.gz OLTWIULOLUZHHP-UHFFFAOYSA-N 2 1 355.486 0.761 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001111409398 1212994541 /nfs/dbraw/zinc/99/45/41/1212994541.db2.gz TWBZUYLSFRFNHZ-MLHJIOFPSA-N 2 1 361.490 0.573 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647295 1225417680 /nfs/dbraw/zinc/41/76/80/1225417680.db2.gz WSEUVCRBYSMZCN-FGTMMUONSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647295 1225417686 /nfs/dbraw/zinc/41/76/86/1225417686.db2.gz WSEUVCRBYSMZCN-FGTMMUONSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647295 1225417690 /nfs/dbraw/zinc/41/76/90/1225417690.db2.gz WSEUVCRBYSMZCN-FGTMMUONSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C(=O)CC1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000954269464 1213054349 /nfs/dbraw/zinc/05/43/49/1213054349.db2.gz ZKVLSTRBEAVBAU-HZPDHXFCSA-N 2 1 359.474 0.914 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648107 1213098315 /nfs/dbraw/zinc/09/83/15/1213098315.db2.gz JGVWCXCHJFYTRT-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648107 1213098320 /nfs/dbraw/zinc/09/83/20/1213098320.db2.gz JGVWCXCHJFYTRT-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954648107 1213098325 /nfs/dbraw/zinc/09/83/25/1213098325.db2.gz JGVWCXCHJFYTRT-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954648107 1213098329 /nfs/dbraw/zinc/09/83/29/1213098329.db2.gz JGVWCXCHJFYTRT-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000956412222 1213193513 /nfs/dbraw/zinc/19/35/13/1213193513.db2.gz IWXFSMOUVUFSNK-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000956412222 1213193514 /nfs/dbraw/zinc/19/35/14/1213193514.db2.gz IWXFSMOUVUFSNK-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000956412222 1213193515 /nfs/dbraw/zinc/19/35/15/1213193515.db2.gz IWXFSMOUVUFSNK-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000956412222 1213193518 /nfs/dbraw/zinc/19/35/18/1213193518.db2.gz IWXFSMOUVUFSNK-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000956414187 1213194071 /nfs/dbraw/zinc/19/40/71/1213194071.db2.gz RRWKBEYSQPCGJW-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000956414187 1213194075 /nfs/dbraw/zinc/19/40/75/1213194075.db2.gz RRWKBEYSQPCGJW-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000956414187 1213194079 /nfs/dbraw/zinc/19/40/79/1213194079.db2.gz RRWKBEYSQPCGJW-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000956414187 1213194080 /nfs/dbraw/zinc/19/40/80/1213194080.db2.gz RRWKBEYSQPCGJW-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000641806040 1213216175 /nfs/dbraw/zinc/21/61/75/1213216175.db2.gz BCSWVIXHGOAVSF-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806040 1213216180 /nfs/dbraw/zinc/21/61/80/1213216180.db2.gz BCSWVIXHGOAVSF-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806040 1213216183 /nfs/dbraw/zinc/21/61/83/1213216183.db2.gz BCSWVIXHGOAVSF-FGTMMUONSA-N 2 1 367.538 0.565 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000958169522 1213386746 /nfs/dbraw/zinc/38/67/46/1213386746.db2.gz VGVQPWVNZDVUNZ-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000958218514 1213391402 /nfs/dbraw/zinc/39/14/02/1213391402.db2.gz LGLSIHFCWRTONH-HLLBOEOZSA-N 2 1 366.506 0.012 20 0 FCADMP COCC[N@H+]1CCC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276356965 1213446381 /nfs/dbraw/zinc/44/63/81/1213446381.db2.gz CMFNUGFZTZCWRN-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP COCC[N@@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276356965 1213446386 /nfs/dbraw/zinc/44/63/86/1213446386.db2.gz CMFNUGFZTZCWRN-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP COCC[N@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276356965 1213446389 /nfs/dbraw/zinc/44/63/89/1213446389.db2.gz CMFNUGFZTZCWRN-FQEVSTJZSA-N 2 1 366.550 0.975 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1=O ZINC001221771856 1225475896 /nfs/dbraw/zinc/47/58/96/1225475896.db2.gz IIUDJZZUTUEKOU-IAGOWNOFSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001221771607 1225476658 /nfs/dbraw/zinc/47/66/58/1225476658.db2.gz DCPOUSQZWZVCNC-BZUAXINKSA-N 2 1 358.490 0.640 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001221773039 1225477457 /nfs/dbraw/zinc/47/74/57/1225477457.db2.gz WBKNLQGGBMNYDA-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001221765617 1225473188 /nfs/dbraw/zinc/47/31/88/1225473188.db2.gz MPBJFIGIQUOQDY-DZJNRPSUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001221765617 1225473189 /nfs/dbraw/zinc/47/31/89/1225473189.db2.gz MPBJFIGIQUOQDY-DZJNRPSUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC[NH+]1C ZINC001221765617 1225473190 /nfs/dbraw/zinc/47/31/90/1225473190.db2.gz MPBJFIGIQUOQDY-DZJNRPSUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC[NH+]1C ZINC001221765617 1225473194 /nfs/dbraw/zinc/47/31/94/1225473194.db2.gz MPBJFIGIQUOQDY-DZJNRPSUSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCC4CCOCC4)C[C@H]32)O1 ZINC000960523871 1213802939 /nfs/dbraw/zinc/80/29/39/1213802939.db2.gz GVFWQWKESIWLQD-FTWQHDNSSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCC4CCOCC4)C[C@H]32)O1 ZINC000960523871 1213802940 /nfs/dbraw/zinc/80/29/40/1213802940.db2.gz GVFWQWKESIWLQD-FTWQHDNSSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCC4CCOCC4)C[C@H]32)O1 ZINC000960523871 1213802942 /nfs/dbraw/zinc/80/29/42/1213802942.db2.gz GVFWQWKESIWLQD-FTWQHDNSSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC4CCOCC4)C[C@H]32)O1 ZINC000960523871 1213802945 /nfs/dbraw/zinc/80/29/45/1213802945.db2.gz GVFWQWKESIWLQD-FTWQHDNSSA-N 2 1 365.518 0.959 20 0 FCADMP Cn1nnc2cc(C[N@H+]3CC[C@@H]4CN(C(=O)CC[NH+](C)C)[C@@H]4C3)ccc21 ZINC001221788491 1225481451 /nfs/dbraw/zinc/48/14/51/1225481451.db2.gz UFYZDLFKDDWWBX-CRAIPNDOSA-N 2 1 356.474 0.953 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC[N@H+]1C ZINC001011177947 1213838424 /nfs/dbraw/zinc/83/84/24/1213838424.db2.gz FQABYARKWHWTCB-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)CC[N@H+]1C ZINC001011211059 1213851120 /nfs/dbraw/zinc/85/11/20/1213851120.db2.gz RTCPRAUWUAHHRB-KLZNWCGWSA-N 2 1 359.474 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)O1 ZINC001011321019 1213870443 /nfs/dbraw/zinc/87/04/43/1213870443.db2.gz BOONNRHNUMESNP-HZPDHXFCSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)O1 ZINC001011321019 1213870446 /nfs/dbraw/zinc/87/04/46/1213870446.db2.gz BOONNRHNUMESNP-HZPDHXFCSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419241045 1214087123 /nfs/dbraw/zinc/08/71/23/1214087123.db2.gz RRMJDHCECGJPOC-KKSFZXQISA-N 2 1 370.497 0.904 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419241045 1214087127 /nfs/dbraw/zinc/08/71/27/1214087127.db2.gz RRMJDHCECGJPOC-KKSFZXQISA-N 2 1 370.497 0.904 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001017488815 1214103424 /nfs/dbraw/zinc/10/34/24/1214103424.db2.gz LPVSKSFYGBLRTQ-CRAIPNDOSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1)[NH+](C)C ZINC001019149064 1214208419 /nfs/dbraw/zinc/20/84/19/1214208419.db2.gz KZWNZWMDMDDRHW-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1)[NH+](C)C ZINC001019149064 1214208426 /nfs/dbraw/zinc/20/84/26/1214208426.db2.gz KZWNZWMDMDDRHW-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419537668 1214216342 /nfs/dbraw/zinc/21/63/42/1214216342.db2.gz VYODGMHGCSUNIC-HGHGUNKESA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000961664740 1214260694 /nfs/dbraw/zinc/26/06/94/1214260694.db2.gz HKAVDSMTYKWWAW-WCXIOVBPSA-N 2 1 362.518 0.728 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccc2c[nH+]cn21 ZINC000961965196 1214381694 /nfs/dbraw/zinc/38/16/94/1214381694.db2.gz RAKNBLJNEPKGRX-IKGGRYGDSA-N 2 1 371.441 0.038 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001039857602 1214447170 /nfs/dbraw/zinc/44/71/70/1214447170.db2.gz FAXVZUQBQDYTRI-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCn2cncn2)C3)CC[N@H+]1C ZINC001040211799 1214484631 /nfs/dbraw/zinc/48/46/31/1214484631.db2.gz ZTNJPWBUYSTRMQ-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001040211799 1214484638 /nfs/dbraw/zinc/48/46/38/1214484638.db2.gz ZTNJPWBUYSTRMQ-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCn2cncn2)C3)CC[NH+]1C ZINC001040211799 1214484642 /nfs/dbraw/zinc/48/46/42/1214484642.db2.gz ZTNJPWBUYSTRMQ-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001040428926 1214508517 /nfs/dbraw/zinc/50/85/17/1214508517.db2.gz DGCRKRKXFCVNDW-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745496 1214580217 /nfs/dbraw/zinc/58/02/17/1214580217.db2.gz MPIWZOKKKFTFJL-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745496 1214580222 /nfs/dbraw/zinc/58/02/22/1214580222.db2.gz MPIWZOKKKFTFJL-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cn4ccnc4)[C@@H]3C2)CC[N@H+]1C ZINC000963773950 1214848937 /nfs/dbraw/zinc/84/89/37/1214848937.db2.gz VYFQEUOPCMMBPX-YYIAUSFCSA-N 2 1 359.474 0.673 20 0 FCADMP CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4cnc[nH]4)C3)C2)C1=O ZINC000964016597 1214887158 /nfs/dbraw/zinc/88/71/58/1214887158.db2.gz MQIKJERCRDKFIU-BCEGUSRUSA-N 2 1 357.458 0.761 20 0 FCADMP O=C(NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000964016579 1214887165 /nfs/dbraw/zinc/88/71/65/1214887165.db2.gz LUJOMFBAYMPDKQ-VIGHMNKUSA-N 2 1 371.441 0.335 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnnn2C)C3)O1 ZINC000964030690 1214891043 /nfs/dbraw/zinc/89/10/43/1214891043.db2.gz VAMKAEDGYMBHRH-APDVAWRBSA-N 2 1 362.478 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnnn2C)C3)O1 ZINC000964030690 1214891046 /nfs/dbraw/zinc/89/10/46/1214891046.db2.gz VAMKAEDGYMBHRH-APDVAWRBSA-N 2 1 362.478 0.051 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093867 1225598352 /nfs/dbraw/zinc/59/83/52/1225598352.db2.gz RIKUWVVUDJMSNR-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093867 1225598358 /nfs/dbraw/zinc/59/83/58/1225598358.db2.gz RIKUWVVUDJMSNR-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093867 1225598363 /nfs/dbraw/zinc/59/83/63/1225598363.db2.gz RIKUWVVUDJMSNR-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093867 1225598370 /nfs/dbraw/zinc/59/83/70/1225598370.db2.gz RIKUWVVUDJMSNR-GUDVDZBRSA-N 2 1 361.486 0.658 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455688 1215972731 /nfs/dbraw/zinc/97/27/31/1215972731.db2.gz GWZVHVNBOYKCPP-YYIAUSFCSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)CC[NH+](C)C)O1 ZINC001056455688 1215972736 /nfs/dbraw/zinc/97/27/36/1215972736.db2.gz GWZVHVNBOYKCPP-YYIAUSFCSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+]([C@@H]4CCCNC4=O)CC3)CC2)CC[N@H+]1C ZINC001000162102 1216013945 /nfs/dbraw/zinc/01/39/45/1216013945.db2.gz UHQPMDJQWMEKBS-DJIMGWMZSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnnn3C)CC2)O1 ZINC001050337149 1216309152 /nfs/dbraw/zinc/30/91/52/1216309152.db2.gz ZOJRLSVHMPREPB-KCYZZUKISA-N 2 1 364.494 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnnn3C)CC2)O1 ZINC001050337149 1216309158 /nfs/dbraw/zinc/30/91/58/1216309158.db2.gz ZOJRLSVHMPREPB-KCYZZUKISA-N 2 1 364.494 0.299 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O)OC ZINC001276843692 1225662638 /nfs/dbraw/zinc/66/26/38/1225662638.db2.gz SIIJETRUCRXWKF-GOSISDBHSA-N 2 1 364.446 0.987 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCCN(Cc3[nH]c(C)nc3C)C2)C1=O)OC ZINC001276843692 1225662640 /nfs/dbraw/zinc/66/26/40/1225662640.db2.gz SIIJETRUCRXWKF-GOSISDBHSA-N 2 1 364.446 0.987 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cncn3C)CC2)O1 ZINC001050336877 1216309737 /nfs/dbraw/zinc/30/97/37/1216309737.db2.gz TWULJGAWLGBAPU-YFHUEUNASA-N 2 1 363.506 0.904 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cncn3C)CC2)O1 ZINC001050336877 1216309742 /nfs/dbraw/zinc/30/97/42/1216309742.db2.gz TWULJGAWLGBAPU-YFHUEUNASA-N 2 1 363.506 0.904 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1)C1CC1 ZINC001222892042 1225663412 /nfs/dbraw/zinc/66/34/12/1225663412.db2.gz LFLVWJJILLQHRQ-AYBZRNKSSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1)C1CC1 ZINC001222892042 1225663415 /nfs/dbraw/zinc/66/34/15/1225663415.db2.gz LFLVWJJILLQHRQ-AYBZRNKSSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2cn(C)nn2)CC3)CC[N@@H+]1C ZINC001050523761 1216330604 /nfs/dbraw/zinc/33/06/04/1216330604.db2.gz JBAMBRACCMWVPV-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2cn(C)nn2)CC3)CC[N@H+]1C ZINC001050523761 1216330611 /nfs/dbraw/zinc/33/06/11/1216330611.db2.gz JBAMBRACCMWVPV-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnc(C)cn3)C2)CC[N@H+]1C ZINC001051623639 1216468704 /nfs/dbraw/zinc/46/87/04/1216468704.db2.gz IAKYNYGJKUOMDY-FGTMMUONSA-N 2 1 361.490 0.832 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625291 1216470235 /nfs/dbraw/zinc/47/02/35/1216470235.db2.gz YNLAZUNJYJFNDP-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681540 1216474079 /nfs/dbraw/zinc/47/40/79/1216474079.db2.gz YDXOSJBKGBFRRZ-ISTRZQFTSA-N 2 1 366.462 0.328 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681540 1216474087 /nfs/dbraw/zinc/47/40/87/1216474087.db2.gz YDXOSJBKGBFRRZ-ISTRZQFTSA-N 2 1 366.462 0.328 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001051681734 1216474263 /nfs/dbraw/zinc/47/42/63/1216474263.db2.gz ZPJOZOCNYWVQCJ-KBRIMQKVSA-N 2 1 366.437 0.257 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(F)cn3)C2)O1 ZINC001051681734 1216474267 /nfs/dbraw/zinc/47/42/67/1216474267.db2.gz ZPJOZOCNYWVQCJ-KBRIMQKVSA-N 2 1 366.437 0.257 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001057741364 1216531695 /nfs/dbraw/zinc/53/16/95/1216531695.db2.gz QSOWVQFRRMDVSD-HZPDHXFCSA-N 2 1 370.538 0.242 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001057741364 1216531700 /nfs/dbraw/zinc/53/17/00/1216531700.db2.gz QSOWVQFRRMDVSD-HZPDHXFCSA-N 2 1 370.538 0.242 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1C ZINC001057745792 1216535647 /nfs/dbraw/zinc/53/56/47/1216535647.db2.gz AUKNFHLWNNCZAP-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1C ZINC001057745792 1216535654 /nfs/dbraw/zinc/53/56/54/1216535654.db2.gz AUKNFHLWNNCZAP-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1C ZINC001057745792 1216535663 /nfs/dbraw/zinc/53/56/63/1216535663.db2.gz AUKNFHLWNNCZAP-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)O1 ZINC001067712525 1216695919 /nfs/dbraw/zinc/69/59/19/1216695919.db2.gz WFSJPCDOOOHYCJ-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)O1 ZINC001067712525 1216695921 /nfs/dbraw/zinc/69/59/21/1216695921.db2.gz WFSJPCDOOOHYCJ-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)O1 ZINC001067712525 1216695929 /nfs/dbraw/zinc/69/59/29/1216695929.db2.gz WFSJPCDOOOHYCJ-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)O1 ZINC001067712525 1216695934 /nfs/dbraw/zinc/69/59/34/1216695934.db2.gz WFSJPCDOOOHYCJ-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)O1 ZINC001067712524 1216696397 /nfs/dbraw/zinc/69/63/97/1216696397.db2.gz WFSJPCDOOOHYCJ-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)O1 ZINC001067712524 1216696399 /nfs/dbraw/zinc/69/63/99/1216696399.db2.gz WFSJPCDOOOHYCJ-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)O1 ZINC001067712524 1216696401 /nfs/dbraw/zinc/69/64/01/1216696401.db2.gz WFSJPCDOOOHYCJ-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)O1 ZINC001067712524 1216696408 /nfs/dbraw/zinc/69/64/08/1216696408.db2.gz WFSJPCDOOOHYCJ-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC(=O)CC)CC2 ZINC001276873799 1225691960 /nfs/dbraw/zinc/69/19/60/1225691960.db2.gz UMXRNFCOCRQPGK-MRXNPFEDSA-N 2 1 367.490 0.631 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885103 1216765266 /nfs/dbraw/zinc/76/52/66/1216765266.db2.gz NQNLHTQVPAAXNE-BZUAXINKSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885103 1216765269 /nfs/dbraw/zinc/76/52/69/1216765269.db2.gz NQNLHTQVPAAXNE-BZUAXINKSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885103 1216765274 /nfs/dbraw/zinc/76/52/74/1216765274.db2.gz NQNLHTQVPAAXNE-BZUAXINKSA-N 2 1 366.506 0.153 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966022 1216872809 /nfs/dbraw/zinc/87/28/09/1216872809.db2.gz RYBWHNJHXBBISE-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966022 1216872811 /nfs/dbraw/zinc/87/28/11/1216872811.db2.gz RYBWHNJHXBBISE-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966022 1216872815 /nfs/dbraw/zinc/87/28/15/1216872815.db2.gz RYBWHNJHXBBISE-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966022 1216872816 /nfs/dbraw/zinc/87/28/16/1216872816.db2.gz RYBWHNJHXBBISE-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)ccc2c[nH+]cn21 ZINC001069966118 1216872974 /nfs/dbraw/zinc/87/29/74/1216872974.db2.gz WIJNPRRKTLFYCI-JLZZUVOBSA-N 2 1 369.429 0.270 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)ccc2c[nH+]cn21 ZINC001069966118 1216872976 /nfs/dbraw/zinc/87/29/76/1216872976.db2.gz WIJNPRRKTLFYCI-JLZZUVOBSA-N 2 1 369.429 0.270 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1)OC ZINC001069980259 1216881770 /nfs/dbraw/zinc/88/17/70/1216881770.db2.gz KZEXGYXRYBFUSI-OAGGEKHMSA-N 2 1 361.450 0.250 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1)OC ZINC001069980259 1216881771 /nfs/dbraw/zinc/88/17/71/1216881771.db2.gz KZEXGYXRYBFUSI-OAGGEKHMSA-N 2 1 361.450 0.250 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996186 1216889944 /nfs/dbraw/zinc/88/99/44/1216889944.db2.gz URGMTYOPKFEFNV-OAGGEKHMSA-N 2 1 364.494 0.529 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996186 1216889947 /nfs/dbraw/zinc/88/99/47/1216889947.db2.gz URGMTYOPKFEFNV-OAGGEKHMSA-N 2 1 364.494 0.529 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@@H]21 ZINC001223534370 1225714149 /nfs/dbraw/zinc/71/41/49/1225714149.db2.gz NWCVMFNIJUKNOY-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@@H]21 ZINC001223534370 1225714153 /nfs/dbraw/zinc/71/41/53/1225714153.db2.gz NWCVMFNIJUKNOY-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678456 1225726368 /nfs/dbraw/zinc/72/63/68/1225726368.db2.gz GLRBCGJOQGSAPG-MSOLQXFVSA-N 2 1 369.506 0.295 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678456 1225726371 /nfs/dbraw/zinc/72/63/71/1225726371.db2.gz GLRBCGJOQGSAPG-MSOLQXFVSA-N 2 1 369.506 0.295 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)nc(C)[nH+]1 ZINC001041429162 1217328120 /nfs/dbraw/zinc/32/81/20/1217328120.db2.gz DYLBHLJYURYDKP-IXDOHACOSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)nc(C)[nH+]1 ZINC001041429162 1217328125 /nfs/dbraw/zinc/32/81/25/1217328125.db2.gz DYLBHLJYURYDKP-IXDOHACOSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)nn1C ZINC001223916762 1225746045 /nfs/dbraw/zinc/74/60/45/1225746045.db2.gz PBGSZYNEWQPCAD-AEFFLSMTSA-N 2 1 363.506 0.730 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)nn1C ZINC001223916762 1225746048 /nfs/dbraw/zinc/74/60/48/1225746048.db2.gz PBGSZYNEWQPCAD-AEFFLSMTSA-N 2 1 363.506 0.730 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223984570 1225751021 /nfs/dbraw/zinc/75/10/21/1225751021.db2.gz FKLFLMHOTRTANZ-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223984570 1225751023 /nfs/dbraw/zinc/75/10/23/1225751023.db2.gz FKLFLMHOTRTANZ-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223984570 1225751026 /nfs/dbraw/zinc/75/10/26/1225751026.db2.gz FKLFLMHOTRTANZ-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001224246034 1225767433 /nfs/dbraw/zinc/76/74/33/1225767433.db2.gz RJPMQSHEDOBGFE-SJORKVTESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001224246034 1225767437 /nfs/dbraw/zinc/76/74/37/1225767437.db2.gz RJPMQSHEDOBGFE-SJORKVTESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001224246034 1225767438 /nfs/dbraw/zinc/76/74/38/1225767438.db2.gz RJPMQSHEDOBGFE-SJORKVTESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001045440798 1217929092 /nfs/dbraw/zinc/92/90/92/1217929092.db2.gz PGULFZAGWUXKNC-JKSUJKDBSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001045445205 1217929668 /nfs/dbraw/zinc/92/96/68/1217929668.db2.gz YZLJCUKKWYHOHW-HUUCEWRRSA-N 2 1 364.490 0.446 20 0 FCADMP CC(C)=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046039094 1217989014 /nfs/dbraw/zinc/98/90/14/1217989014.db2.gz RRXGMBMUFQELJO-CEXWTWQISA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039094 1217989018 /nfs/dbraw/zinc/98/90/18/1217989018.db2.gz RRXGMBMUFQELJO-CEXWTWQISA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039094 1217989025 /nfs/dbraw/zinc/98/90/25/1217989025.db2.gz RRXGMBMUFQELJO-CEXWTWQISA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039094 1217989031 /nfs/dbraw/zinc/98/90/31/1217989031.db2.gz RRXGMBMUFQELJO-CEXWTWQISA-N 2 1 364.534 0.890 20 0 FCADMP CC(C)=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039094 1217989038 /nfs/dbraw/zinc/98/90/38/1217989038.db2.gz RRXGMBMUFQELJO-CEXWTWQISA-N 2 1 364.534 0.890 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC4CCC4)C3)CC2)O1 ZINC001046039396 1217989689 /nfs/dbraw/zinc/98/96/89/1217989689.db2.gz XQBWVJWSLFZDDX-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC4CCC4)C3)CC2)O1 ZINC001046039396 1217989692 /nfs/dbraw/zinc/98/96/92/1217989692.db2.gz XQBWVJWSLFZDDX-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC4CCC4)C3)CC2)O1 ZINC001046039396 1217989695 /nfs/dbraw/zinc/98/96/95/1217989695.db2.gz XQBWVJWSLFZDDX-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CC4CCC4)C3)CC2)O1 ZINC001046039396 1217989698 /nfs/dbraw/zinc/98/96/98/1217989698.db2.gz XQBWVJWSLFZDDX-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC4CCC4)C3)CC2)O1 ZINC001046039396 1217989702 /nfs/dbraw/zinc/98/97/02/1217989702.db2.gz XQBWVJWSLFZDDX-BHIYHBOVSA-N 2 1 364.534 0.724 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000900680737 1218023405 /nfs/dbraw/zinc/02/34/05/1218023405.db2.gz HNRMOPYWDZPVQU-MRXNPFEDSA-N 2 1 369.506 0.831 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686721 1218024360 /nfs/dbraw/zinc/02/43/60/1218024360.db2.gz OMOMLDKYCSARBY-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000900686721 1218024362 /nfs/dbraw/zinc/02/43/62/1218024362.db2.gz OMOMLDKYCSARBY-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CNC(=O)CN1CC[C@@]2(C1)c1ccccc1N(Cc1cncn1C)C2=O ZINC001276982552 1225785938 /nfs/dbraw/zinc/78/59/38/1225785938.db2.gz WCYYGYKERYENMC-LJQANCHMSA-N 2 1 353.426 0.656 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000900967305 1218063450 /nfs/dbraw/zinc/06/34/50/1218063450.db2.gz VWNPPRWZNCBCLA-IBGZPJMESA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)cn1 ZINC001096139660 1218088588 /nfs/dbraw/zinc/08/85/88/1218088588.db2.gz HHCSCSSTTJKJEZ-LTIDMASMSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)cn1 ZINC001096139660 1218088591 /nfs/dbraw/zinc/08/85/91/1218088591.db2.gz HHCSCSSTTJKJEZ-LTIDMASMSA-N 2 1 374.489 0.058 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001096355745 1218262578 /nfs/dbraw/zinc/26/25/78/1218262578.db2.gz BWRNZYANKVGHBR-NCOADZHNSA-N 2 1 360.502 0.720 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001225346296 1225808004 /nfs/dbraw/zinc/80/80/04/1225808004.db2.gz LZCBJDQGMMAVGN-KFWWJZLASA-N 2 1 365.478 0.086 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048829892 1218324112 /nfs/dbraw/zinc/32/41/12/1218324112.db2.gz BXNHVBDBVJCJNA-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048829892 1218324116 /nfs/dbraw/zinc/32/41/16/1218324116.db2.gz BXNHVBDBVJCJNA-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(CC)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048829892 1218324121 /nfs/dbraw/zinc/32/41/21/1218324121.db2.gz BXNHVBDBVJCJNA-IGKNDFSCSA-N 2 1 362.518 0.728 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829345 1218324617 /nfs/dbraw/zinc/32/46/17/1218324617.db2.gz NLONCIRJHFREAG-NKGKWGDASA-N 2 1 360.506 0.625 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829345 1218324625 /nfs/dbraw/zinc/32/46/25/1218324625.db2.gz NLONCIRJHFREAG-NKGKWGDASA-N 2 1 360.506 0.625 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829345 1218324632 /nfs/dbraw/zinc/32/46/32/1218324632.db2.gz NLONCIRJHFREAG-NKGKWGDASA-N 2 1 360.506 0.625 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891535 1218335888 /nfs/dbraw/zinc/33/58/88/1218335888.db2.gz PDLDFJNHBNVQMC-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891535 1218335896 /nfs/dbraw/zinc/33/58/96/1218335896.db2.gz PDLDFJNHBNVQMC-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891535 1218335903 /nfs/dbraw/zinc/33/59/03/1218335903.db2.gz PDLDFJNHBNVQMC-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1noc(C)c1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891535 1218335909 /nfs/dbraw/zinc/33/59/09/1218335909.db2.gz PDLDFJNHBNVQMC-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1cncc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)c1 ZINC001048891643 1218336641 /nfs/dbraw/zinc/33/66/41/1218336641.db2.gz SSMBFLZAIRWJQA-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1cncc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)c1 ZINC001048891643 1218336648 /nfs/dbraw/zinc/33/66/48/1218336648.db2.gz SSMBFLZAIRWJQA-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)c1 ZINC001048891643 1218336654 /nfs/dbraw/zinc/33/66/54/1218336654.db2.gz SSMBFLZAIRWJQA-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP Cc1cncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)c1 ZINC001048891643 1218336661 /nfs/dbraw/zinc/33/66/61/1218336661.db2.gz SSMBFLZAIRWJQA-OQIJWPOYSA-N 2 1 358.486 0.999 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2O)CC[N@H+]1C ZINC001048922890 1218342124 /nfs/dbraw/zinc/34/21/24/1218342124.db2.gz BFCUEILBAAIKHV-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2O)CC[NH+]1C ZINC001048922890 1218342128 /nfs/dbraw/zinc/34/21/28/1218342128.db2.gz BFCUEILBAAIKHV-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2O)CC[NH+]1C ZINC001048922890 1218342132 /nfs/dbraw/zinc/34/21/32/1218342132.db2.gz BFCUEILBAAIKHV-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001225525510 1225814872 /nfs/dbraw/zinc/81/48/72/1225814872.db2.gz RHHAJSWDHXFYEK-ZACQAIPSSA-N 2 1 366.506 0.250 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001225525510 1225814874 /nfs/dbraw/zinc/81/48/74/1225814874.db2.gz RHHAJSWDHXFYEK-ZACQAIPSSA-N 2 1 366.506 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001049485077 1218462188 /nfs/dbraw/zinc/46/21/88/1218462188.db2.gz KUHMTSBFWOSAEP-VQHPVUNQSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485077 1218462190 /nfs/dbraw/zinc/46/21/90/1218462190.db2.gz KUHMTSBFWOSAEP-VQHPVUNQSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485077 1218462198 /nfs/dbraw/zinc/46/21/98/1218462198.db2.gz KUHMTSBFWOSAEP-VQHPVUNQSA-N 2 1 363.506 0.417 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001096548659 1218477418 /nfs/dbraw/zinc/47/74/18/1218477418.db2.gz LYJWAZBJZPEUNB-NCOADZHNSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001096548659 1218477421 /nfs/dbraw/zinc/47/74/21/1218477421.db2.gz LYJWAZBJZPEUNB-NCOADZHNSA-N 2 1 359.474 0.829 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903782923 1218525170 /nfs/dbraw/zinc/52/51/70/1218525170.db2.gz UICVIJXZMYCWJZ-KRWDZBQOSA-N 3 1 364.534 0.951 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)n1 ZINC001097085560 1218685924 /nfs/dbraw/zinc/68/59/24/1218685924.db2.gz IKRPOODXWDDCRJ-MKXGPGLRSA-N 2 1 372.517 0.958 20 0 FCADMP O=C(CC[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000748362094 1218707275 /nfs/dbraw/zinc/70/72/75/1218707275.db2.gz ASHFLQYXMJADPF-UHFFFAOYSA-N 2 1 361.486 0.982 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)C12CCC[NH+]1CCC2 ZINC001097430693 1218808550 /nfs/dbraw/zinc/80/85/50/1218808550.db2.gz PDKSUDSLKYNQFL-ZACQAIPSSA-N 2 1 360.502 0.959 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)C12CCC[NH+]1CCC2 ZINC001097430693 1218808552 /nfs/dbraw/zinc/80/85/52/1218808552.db2.gz PDKSUDSLKYNQFL-ZACQAIPSSA-N 2 1 360.502 0.959 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001097564921 1218820027 /nfs/dbraw/zinc/82/00/27/1218820027.db2.gz YLVBCBCKKRCUMA-COXLTSFISA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001097564921 1218820028 /nfs/dbraw/zinc/82/00/28/1218820028.db2.gz YLVBCBCKKRCUMA-COXLTSFISA-N 2 1 371.485 0.468 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCn1cccn1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001097564921 1218820030 /nfs/dbraw/zinc/82/00/30/1218820030.db2.gz YLVBCBCKKRCUMA-COXLTSFISA-N 2 1 371.485 0.468 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097848912 1218851034 /nfs/dbraw/zinc/85/10/34/1218851034.db2.gz WDKQFPWLANRWSH-FPCVCCKLSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097848912 1218851035 /nfs/dbraw/zinc/85/10/35/1218851035.db2.gz WDKQFPWLANRWSH-FPCVCCKLSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001097848912 1218851036 /nfs/dbraw/zinc/85/10/36/1218851036.db2.gz WDKQFPWLANRWSH-FPCVCCKLSA-N 2 1 362.474 0.341 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001097848912 1218851038 /nfs/dbraw/zinc/85/10/38/1218851038.db2.gz WDKQFPWLANRWSH-FPCVCCKLSA-N 2 1 362.474 0.341 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1=O ZINC001277146286 1225851394 /nfs/dbraw/zinc/85/13/94/1225851394.db2.gz GJVMZNSMQOPRCN-SFHVURJKSA-N 2 1 363.462 0.654 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001226892172 1225857325 /nfs/dbraw/zinc/85/73/25/1225857325.db2.gz ZJNBPUQMMRBVFG-BRWVUGGUSA-N 2 1 365.522 0.903 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC3CC3)CC2)O1 ZINC001055494640 1219059973 /nfs/dbraw/zinc/05/99/73/1219059973.db2.gz RPHNNLQQEWKNTD-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC3CC3)CC2)O1 ZINC001055494640 1219059979 /nfs/dbraw/zinc/05/99/79/1219059979.db2.gz RPHNNLQQEWKNTD-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[C@@H](O)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583376 1219088015 /nfs/dbraw/zinc/08/80/15/1219088015.db2.gz LKMGZBRSNAMJKY-DJIMGWMZSA-N 2 1 368.522 0.040 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227093082 1225863933 /nfs/dbraw/zinc/86/39/33/1225863933.db2.gz ZRGALYCDEDGINV-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000804053036 1219106672 /nfs/dbraw/zinc/10/66/72/1219106672.db2.gz IDFISEXNXPTOOC-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000804057592 1219110556 /nfs/dbraw/zinc/11/05/56/1219110556.db2.gz AZRMTDACWDJKNX-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000804059899 1219114007 /nfs/dbraw/zinc/11/40/07/1219114007.db2.gz ONKOTVHTCMTIMF-VQHPVUNQSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061307 1219116785 /nfs/dbraw/zinc/11/67/85/1219116785.db2.gz XITUSVSYCPVPPR-IAGOWNOFSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000804061309 1219116872 /nfs/dbraw/zinc/11/68/72/1219116872.db2.gz XITUSVSYCPVPPR-SJORKVTESA-N 2 1 364.490 0.053 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097087 1219167852 /nfs/dbraw/zinc/16/78/52/1219167852.db2.gz BEVNQCZOMSYMJY-OIISXLGYSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097087 1219167860 /nfs/dbraw/zinc/16/78/60/1219167860.db2.gz BEVNQCZOMSYMJY-OIISXLGYSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070097087 1219167864 /nfs/dbraw/zinc/16/78/64/1219167864.db2.gz BEVNQCZOMSYMJY-OIISXLGYSA-N 2 1 362.478 0.140 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001227454190 1225875695 /nfs/dbraw/zinc/87/56/95/1225875695.db2.gz OXAWLZCUZBHFFW-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001227454190 1225875696 /nfs/dbraw/zinc/87/56/96/1225875696.db2.gz OXAWLZCUZBHFFW-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070196494 1219287296 /nfs/dbraw/zinc/28/72/96/1219287296.db2.gz AQSCTSPIPKWGID-KFWWJZLASA-N 2 1 361.450 0.022 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070219639 1219301338 /nfs/dbraw/zinc/30/13/38/1219301338.db2.gz ATQWFOJVDUBGGZ-SQNIBIBYSA-N 2 1 369.473 0.699 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070219639 1219301343 /nfs/dbraw/zinc/30/13/43/1219301343.db2.gz ATQWFOJVDUBGGZ-SQNIBIBYSA-N 2 1 369.473 0.699 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260420 1219330308 /nfs/dbraw/zinc/33/03/08/1219330308.db2.gz IGOYSNOXVIYUFL-UAGQMJEPSA-N 2 1 357.462 0.797 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070275309 1219342196 /nfs/dbraw/zinc/34/21/96/1219342196.db2.gz FYEKAVDGYCVRJC-JKIFEVAISA-N 2 1 370.448 0.802 20 0 FCADMP O=C(N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001070310960 1219368264 /nfs/dbraw/zinc/36/82/64/1219368264.db2.gz GEEPWECTIYJWKQ-SJORKVTESA-N 2 1 367.457 0.311 20 0 FCADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327164 1219377205 /nfs/dbraw/zinc/37/72/05/1219377205.db2.gz VSMFWNRZCHPDDH-NXHRZFHOSA-N 2 1 369.473 0.475 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070327160 1219377384 /nfs/dbraw/zinc/37/73/84/1219377384.db2.gz VMPUAMYAPMHQSI-OIISXLGYSA-N 2 1 355.446 0.167 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070327160 1219377392 /nfs/dbraw/zinc/37/73/92/1219377392.db2.gz VMPUAMYAPMHQSI-OIISXLGYSA-N 2 1 355.446 0.167 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327202 1219377645 /nfs/dbraw/zinc/37/76/45/1219377645.db2.gz XPWYGTJOVSEUKB-KFWWJZLASA-N 2 1 359.434 0.068 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327202 1219377647 /nfs/dbraw/zinc/37/76/47/1219377647.db2.gz XPWYGTJOVSEUKB-KFWWJZLASA-N 2 1 359.434 0.068 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070328162 1219379178 /nfs/dbraw/zinc/37/91/78/1219379178.db2.gz QBONSVBVNKFRES-MSOLQXFVSA-N 2 1 369.473 0.619 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070475374 1219426314 /nfs/dbraw/zinc/42/63/14/1219426314.db2.gz QCQRDCCUSITCPZ-CGTJXYLNSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)c1 ZINC001070477848 1219428543 /nfs/dbraw/zinc/42/85/43/1219428543.db2.gz WRCBHFIGBIJFNH-CGTJXYLNSA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCC2CC2)c1 ZINC001070477848 1219428545 /nfs/dbraw/zinc/42/85/45/1219428545.db2.gz WRCBHFIGBIJFNH-CGTJXYLNSA-N 2 1 361.490 0.435 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001227953174 1225891932 /nfs/dbraw/zinc/89/19/32/1225891932.db2.gz CDZFRHYARKOFNQ-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001227953174 1225891935 /nfs/dbraw/zinc/89/19/35/1225891935.db2.gz CDZFRHYARKOFNQ-BPQIPLTHSA-N 2 1 369.506 0.482 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4c[nH]nc43)C2)OCC1=O ZINC001277263079 1225893875 /nfs/dbraw/zinc/89/38/75/1225893875.db2.gz ZAODIJCGZLHWFT-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682268 1219523013 /nfs/dbraw/zinc/52/30/13/1219523013.db2.gz RVFAPKQAMQEPTH-JFIYKMOQSA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682268 1219523014 /nfs/dbraw/zinc/52/30/14/1219523014.db2.gz RVFAPKQAMQEPTH-JFIYKMOQSA-N 2 1 363.506 0.822 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070719158 1219541405 /nfs/dbraw/zinc/54/14/05/1219541405.db2.gz UUAMQZHLLPZLIP-HZPDHXFCSA-N 2 1 371.489 0.334 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001070917992 1219572993 /nfs/dbraw/zinc/57/29/93/1219572993.db2.gz QFLMRQVYYZCTNX-BBWFWOEESA-N 2 1 364.490 0.843 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070918527 1219573040 /nfs/dbraw/zinc/57/30/40/1219573040.db2.gz HWQLMIKAZIZXIL-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070918527 1219573043 /nfs/dbraw/zinc/57/30/43/1219573043.db2.gz HWQLMIKAZIZXIL-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070918527 1219573046 /nfs/dbraw/zinc/57/30/46/1219573046.db2.gz HWQLMIKAZIZXIL-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070918527 1219573051 /nfs/dbraw/zinc/57/30/51/1219573051.db2.gz HWQLMIKAZIZXIL-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001070919591 1219574850 /nfs/dbraw/zinc/57/48/50/1219574850.db2.gz NRNKIOSVQRXYAG-XHSDSOJGSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001070919591 1219574855 /nfs/dbraw/zinc/57/48/55/1219574855.db2.gz NRNKIOSVQRXYAG-XHSDSOJGSA-N 2 1 364.490 0.844 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001070919591 1219574859 /nfs/dbraw/zinc/57/48/59/1219574859.db2.gz NRNKIOSVQRXYAG-XHSDSOJGSA-N 2 1 364.490 0.844 20 0 FCADMP CC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001070919591 1219574866 /nfs/dbraw/zinc/57/48/66/1219574866.db2.gz NRNKIOSVQRXYAG-XHSDSOJGSA-N 2 1 364.490 0.844 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927141 1219583159 /nfs/dbraw/zinc/58/31/59/1219583159.db2.gz WTQLGCAKALEYHS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927141 1219583163 /nfs/dbraw/zinc/58/31/63/1219583163.db2.gz WTQLGCAKALEYHS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070927141 1219583166 /nfs/dbraw/zinc/58/31/66/1219583166.db2.gz WTQLGCAKALEYHS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070927141 1219583170 /nfs/dbraw/zinc/58/31/70/1219583170.db2.gz WTQLGCAKALEYHS-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926310 1219583373 /nfs/dbraw/zinc/58/33/73/1219583373.db2.gz DELOXOPOTNXLLP-QBPKDAKJSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926310 1219583376 /nfs/dbraw/zinc/58/33/76/1219583376.db2.gz DELOXOPOTNXLLP-QBPKDAKJSA-N 2 1 368.522 0.399 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@@H](C)OC)CC2)CC[N@@H+]1C ZINC001070967038 1219584979 /nfs/dbraw/zinc/58/49/79/1219584979.db2.gz YBPZOZBQIGTMDM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](C[C@@H](C)OC)CC2)CC[N@H+]1C ZINC001070967038 1219584983 /nfs/dbraw/zinc/58/49/83/1219584983.db2.gz YBPZOZBQIGTMDM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](C[C@@H](C)OC)CC2)CC[NH+]1C ZINC001070967038 1219584988 /nfs/dbraw/zinc/58/49/88/1219584988.db2.gz YBPZOZBQIGTMDM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](C[C@@H](C)OC)CC2)CC[NH+]1C ZINC001070967038 1219584992 /nfs/dbraw/zinc/58/49/92/1219584992.db2.gz YBPZOZBQIGTMDM-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(=O)NCC[NH+](CC3CCC3)CC2)O1 ZINC001070972904 1219586200 /nfs/dbraw/zinc/58/62/00/1219586200.db2.gz RRKSSBYTLOJPJB-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(=O)NCC[NH+](CC3CCC3)CC2)O1 ZINC001070972904 1219586205 /nfs/dbraw/zinc/58/62/05/1219586205.db2.gz RRKSSBYTLOJPJB-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CC3CCC3)CC2)O1 ZINC001070972904 1219586210 /nfs/dbraw/zinc/58/62/10/1219586210.db2.gz RRKSSBYTLOJPJB-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(=O)NCC[N@H+](CC3CCC3)CC2)O1 ZINC001070972904 1219586212 /nfs/dbraw/zinc/58/62/12/1219586212.db2.gz RRKSSBYTLOJPJB-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC001073123596 1219637774 /nfs/dbraw/zinc/63/77/74/1219637774.db2.gz CQBPTSJXZBKWKM-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC001073123596 1219637778 /nfs/dbraw/zinc/63/77/78/1219637778.db2.gz CQBPTSJXZBKWKM-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603459 1219701490 /nfs/dbraw/zinc/70/14/90/1219701490.db2.gz KMMDUBIYWIKAIA-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001098224826 1219744142 /nfs/dbraw/zinc/74/41/42/1219744142.db2.gz HQKLUPWCOXCOHP-ZJPYXAASSA-N 2 1 372.513 0.957 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001098224826 1219744146 /nfs/dbraw/zinc/74/41/46/1219744146.db2.gz HQKLUPWCOXCOHP-ZJPYXAASSA-N 2 1 372.513 0.957 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001098464235 1219788359 /nfs/dbraw/zinc/78/83/59/1219788359.db2.gz RHCSEHKOBICADU-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001098464235 1219788362 /nfs/dbraw/zinc/78/83/62/1219788362.db2.gz RHCSEHKOBICADU-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001098464235 1219788368 /nfs/dbraw/zinc/78/83/68/1219788368.db2.gz RHCSEHKOBICADU-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001098464235 1219788374 /nfs/dbraw/zinc/78/83/74/1219788374.db2.gz RHCSEHKOBICADU-NCOADZHNSA-N 2 1 363.506 0.608 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001098841216 1219837884 /nfs/dbraw/zinc/83/78/84/1219837884.db2.gz DJYIDHJOLRTLSO-QKLQHJQFSA-N 2 1 360.502 0.531 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001098841175 1219837989 /nfs/dbraw/zinc/83/79/89/1219837989.db2.gz BXQXDSRTFOFEMZ-VPWXQRGCSA-N 2 1 360.502 0.578 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099008272 1219887612 /nfs/dbraw/zinc/88/76/12/1219887612.db2.gz GEQCQGKDLVZIAG-UVFQYZLESA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)C1 ZINC001099029539 1219892853 /nfs/dbraw/zinc/89/28/53/1219892853.db2.gz DLKJHSZLOJKQAU-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)C1 ZINC001099029539 1219892854 /nfs/dbraw/zinc/89/28/54/1219892854.db2.gz DLKJHSZLOJKQAU-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)C1 ZINC001099029539 1219892857 /nfs/dbraw/zinc/89/28/57/1219892857.db2.gz DLKJHSZLOJKQAU-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cccn2)C3)C1 ZINC001099168691 1219938342 /nfs/dbraw/zinc/93/83/42/1219938342.db2.gz FPDQZPIUCWWFPM-SCTDSRPQSA-N 2 1 361.490 0.575 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cccn2)C3)C1 ZINC001099168691 1219938348 /nfs/dbraw/zinc/93/83/48/1219938348.db2.gz FPDQZPIUCWWFPM-SCTDSRPQSA-N 2 1 361.490 0.575 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cccn2)C3)C1 ZINC001099168691 1219938351 /nfs/dbraw/zinc/93/83/51/1219938351.db2.gz FPDQZPIUCWWFPM-SCTDSRPQSA-N 2 1 361.490 0.575 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cccn2)C3)C1 ZINC001099168691 1219938357 /nfs/dbraw/zinc/93/83/57/1219938357.db2.gz FPDQZPIUCWWFPM-SCTDSRPQSA-N 2 1 361.490 0.575 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001099254832 1219958348 /nfs/dbraw/zinc/95/83/48/1219958348.db2.gz WXAHUBCVNKDKTG-FMKGYKFTSA-N 2 1 374.411 0.634 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001099254832 1219958354 /nfs/dbraw/zinc/95/83/54/1219958354.db2.gz WXAHUBCVNKDKTG-FMKGYKFTSA-N 2 1 374.411 0.634 20 0 FCADMP Cn1nccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001099402650 1219982558 /nfs/dbraw/zinc/98/25/58/1219982558.db2.gz DIPSUCCJDZKRPG-IEZWGBDMSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1nccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001099402650 1219982562 /nfs/dbraw/zinc/98/25/62/1219982562.db2.gz DIPSUCCJDZKRPG-IEZWGBDMSA-N 2 1 361.490 0.469 20 0 FCADMP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001099454470 1220003303 /nfs/dbraw/zinc/00/33/03/1220003303.db2.gz JVAAUSJDWSMUGZ-DAYGRLMNSA-N 2 1 361.494 0.413 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099464620 1220005937 /nfs/dbraw/zinc/00/59/37/1220005937.db2.gz NCYSAWRMZLADGR-FCEWJHQRSA-N 2 1 359.474 0.688 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228602027 1225935899 /nfs/dbraw/zinc/93/58/99/1225935899.db2.gz AFQHJIVQLINIMC-CGTJXYLNSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101272639 1220259797 /nfs/dbraw/zinc/25/97/97/1220259797.db2.gz VPKUJIZTKMBKLF-UWVAXJGDSA-N 2 1 364.534 0.879 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277559 1220262968 /nfs/dbraw/zinc/26/29/68/1220262968.db2.gz NAYGTLYMMAFNDC-MTNOOBJLSA-N 2 1 369.506 0.149 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277559 1220262972 /nfs/dbraw/zinc/26/29/72/1220262972.db2.gz NAYGTLYMMAFNDC-MTNOOBJLSA-N 2 1 369.506 0.149 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277559 1220262974 /nfs/dbraw/zinc/26/29/74/1220262974.db2.gz NAYGTLYMMAFNDC-MTNOOBJLSA-N 2 1 369.506 0.149 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277559 1220262981 /nfs/dbraw/zinc/26/29/81/1220262981.db2.gz NAYGTLYMMAFNDC-MTNOOBJLSA-N 2 1 369.506 0.149 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101277740 1220263299 /nfs/dbraw/zinc/26/32/99/1220263299.db2.gz WQDUPMNBKJRAMH-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300367 1220277071 /nfs/dbraw/zinc/27/70/71/1220277071.db2.gz VUECEEZCYWSWTO-APWZRJJASA-N 2 1 361.490 0.840 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300367 1220277077 /nfs/dbraw/zinc/27/70/77/1220277077.db2.gz VUECEEZCYWSWTO-APWZRJJASA-N 2 1 361.490 0.840 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101300296 1220277317 /nfs/dbraw/zinc/27/73/17/1220277317.db2.gz REPBBSOCZHASSM-BEFAXECRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101300296 1220277319 /nfs/dbraw/zinc/27/73/19/1220277319.db2.gz REPBBSOCZHASSM-BEFAXECRSA-N 2 1 361.490 0.887 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101310539 1220280699 /nfs/dbraw/zinc/28/06/99/1220280699.db2.gz LRJUPGUMESWXRX-KPFFTGBYSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364631 1220302397 /nfs/dbraw/zinc/30/23/97/1220302397.db2.gz WXPPWMZHFSJKKP-HLIPFELVSA-N 2 1 364.534 0.975 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101400013 1220324436 /nfs/dbraw/zinc/32/44/36/1220324436.db2.gz CGEIRSLLNQUJGY-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101418260 1220332693 /nfs/dbraw/zinc/33/26/93/1220332693.db2.gz ITTXIETUPJUUOD-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101418260 1220332694 /nfs/dbraw/zinc/33/26/94/1220332694.db2.gz ITTXIETUPJUUOD-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101418260 1220332696 /nfs/dbraw/zinc/33/26/96/1220332696.db2.gz ITTXIETUPJUUOD-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429950 1220339951 /nfs/dbraw/zinc/33/99/51/1220339951.db2.gz IARSONGNPORXFQ-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429950 1220339954 /nfs/dbraw/zinc/33/99/54/1220339954.db2.gz IARSONGNPORXFQ-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429950 1220339959 /nfs/dbraw/zinc/33/99/59/1220339959.db2.gz IARSONGNPORXFQ-HLIPFELVSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432226 1220341433 /nfs/dbraw/zinc/34/14/33/1220341433.db2.gz IDOIXBOPCJMICH-APWZRJJASA-N 2 1 368.522 0.117 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473441 1220365217 /nfs/dbraw/zinc/36/52/17/1220365217.db2.gz XELYZHNYJSSXIZ-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473441 1220365222 /nfs/dbraw/zinc/36/52/22/1220365222.db2.gz XELYZHNYJSSXIZ-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819601 1220409325 /nfs/dbraw/zinc/40/93/25/1220409325.db2.gz NZAGGUWYNHVSJA-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819601 1220409329 /nfs/dbraw/zinc/40/93/29/1220409329.db2.gz NZAGGUWYNHVSJA-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819601 1220409330 /nfs/dbraw/zinc/40/93/30/1220409330.db2.gz NZAGGUWYNHVSJA-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976319 1220449348 /nfs/dbraw/zinc/44/93/48/1220449348.db2.gz WXQISATYPFXTSD-OLMNPRSZSA-N 2 1 362.518 0.539 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976345 1220449378 /nfs/dbraw/zinc/44/93/78/1220449378.db2.gz YNUFNHUPJMKHPY-KBAYOESNSA-N 2 1 364.534 0.929 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982738 1220452741 /nfs/dbraw/zinc/45/27/41/1220452741.db2.gz GTQTXEKIIMSEBD-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982738 1220452742 /nfs/dbraw/zinc/45/27/42/1220452742.db2.gz GTQTXEKIIMSEBD-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982738 1220452745 /nfs/dbraw/zinc/45/27/45/1220452745.db2.gz GTQTXEKIIMSEBD-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013191 1220461829 /nfs/dbraw/zinc/46/18/29/1220461829.db2.gz OUEYQBUDRXVBDS-BFYDXBDKSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059184 1220480928 /nfs/dbraw/zinc/48/09/28/1220480928.db2.gz FNEWWQGCMRHYRD-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059184 1220480931 /nfs/dbraw/zinc/48/09/31/1220480931.db2.gz FNEWWQGCMRHYRD-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059184 1220480934 /nfs/dbraw/zinc/48/09/34/1220480934.db2.gz FNEWWQGCMRHYRD-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102086017 1220490936 /nfs/dbraw/zinc/49/09/36/1220490936.db2.gz MZQPSEBSEHPOSW-IAGOWNOFSA-N 2 1 371.522 0.038 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C)[NH+](C)C ZINC001102088506 1220492400 /nfs/dbraw/zinc/49/24/00/1220492400.db2.gz YPHYRQUPLRFGRJ-RBSFLKMASA-N 2 1 362.478 0.439 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C)[NH+](C)C ZINC001102088506 1220492402 /nfs/dbraw/zinc/49/24/02/1220492402.db2.gz YPHYRQUPLRFGRJ-RBSFLKMASA-N 2 1 362.478 0.439 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157735 1220530528 /nfs/dbraw/zinc/53/05/28/1220530528.db2.gz OEOCKEXCLOEBFE-OAGGEKHMSA-N 2 1 364.490 0.453 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157735 1220530535 /nfs/dbraw/zinc/53/05/35/1220530535.db2.gz OEOCKEXCLOEBFE-OAGGEKHMSA-N 2 1 364.490 0.453 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320660 1220582587 /nfs/dbraw/zinc/58/25/87/1220582587.db2.gz NCMASVFXQRISIP-ZACQAIPSSA-N 2 1 367.490 0.793 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433566 1220623279 /nfs/dbraw/zinc/62/32/79/1220623279.db2.gz AADWBZSJRJPFPN-FVQBIDKESA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466681 1220637147 /nfs/dbraw/zinc/63/71/47/1220637147.db2.gz QKAMYNUGRBBTDX-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102466681 1220637149 /nfs/dbraw/zinc/63/71/49/1220637149.db2.gz QKAMYNUGRBBTDX-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468305 1220638690 /nfs/dbraw/zinc/63/86/90/1220638690.db2.gz BRDKNEXCLKUNDX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468305 1220638691 /nfs/dbraw/zinc/63/86/91/1220638691.db2.gz BRDKNEXCLKUNDX-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469200 1220639804 /nfs/dbraw/zinc/63/98/04/1220639804.db2.gz VJDHDWKNOSORCB-IAGOWNOFSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469200 1220639808 /nfs/dbraw/zinc/63/98/08/1220639808.db2.gz VJDHDWKNOSORCB-IAGOWNOFSA-N 2 1 368.522 0.165 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473524 1220644210 /nfs/dbraw/zinc/64/42/10/1220644210.db2.gz DIPXOYXWZHECEQ-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142697 1225983226 /nfs/dbraw/zinc/98/32/26/1225983226.db2.gz ZHPCDQJVKQYDQL-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP CCc1nnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513683 1220672544 /nfs/dbraw/zinc/67/25/44/1220672544.db2.gz WYCTXYPOLBXMGN-RBSFLKMASA-N 2 1 366.510 0.690 20 0 FCADMP CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513683 1220672545 /nfs/dbraw/zinc/67/25/45/1220672545.db2.gz WYCTXYPOLBXMGN-RBSFLKMASA-N 2 1 366.510 0.690 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513910 1220673403 /nfs/dbraw/zinc/67/34/03/1220673403.db2.gz GKRHDMRWAWOGGN-BRWVUGGUSA-N 2 1 370.538 0.409 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514507 1220673703 /nfs/dbraw/zinc/67/37/03/1220673703.db2.gz ZNKYGLGLJHQDHJ-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514507 1220673707 /nfs/dbraw/zinc/67/37/07/1220673707.db2.gz ZNKYGLGLJHQDHJ-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514507 1220673710 /nfs/dbraw/zinc/67/37/10/1220673710.db2.gz ZNKYGLGLJHQDHJ-JFIYKMOQSA-N 2 1 360.502 0.911 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521141 1220678893 /nfs/dbraw/zinc/67/88/93/1220678893.db2.gz SFUNCELGAVBGTG-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC001102580361 1220703223 /nfs/dbraw/zinc/70/32/23/1220703223.db2.gz SLUMSEHGKJKSPT-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC001102580361 1220703225 /nfs/dbraw/zinc/70/32/25/1220703225.db2.gz SLUMSEHGKJKSPT-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102580630 1220703371 /nfs/dbraw/zinc/70/33/71/1220703371.db2.gz FGVWUPZNJSBRRK-DJIMGWMZSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102580630 1220703378 /nfs/dbraw/zinc/70/33/78/1220703378.db2.gz FGVWUPZNJSBRRK-DJIMGWMZSA-N 2 1 361.490 0.792 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596655 1220717880 /nfs/dbraw/zinc/71/78/80/1220717880.db2.gz RFOKZIIAXQPNRY-IAGOWNOFSA-N 2 1 365.522 0.572 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596767 1220718155 /nfs/dbraw/zinc/71/81/55/1220718155.db2.gz XCRWQLIBUVNGFU-OAGGEKHMSA-N 2 1 364.490 0.352 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819417 1220791271 /nfs/dbraw/zinc/79/12/71/1220791271.db2.gz SUOLRCPENLNIIS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819417 1220791273 /nfs/dbraw/zinc/79/12/73/1220791273.db2.gz SUOLRCPENLNIIS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819417 1220791276 /nfs/dbraw/zinc/79/12/76/1220791276.db2.gz SUOLRCPENLNIIS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819417 1220791284 /nfs/dbraw/zinc/79/12/84/1220791284.db2.gz SUOLRCPENLNIIS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818761 1220792357 /nfs/dbraw/zinc/79/23/57/1220792357.db2.gz GKVZWVIYNCUKFJ-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818761 1220792366 /nfs/dbraw/zinc/79/23/66/1220792366.db2.gz GKVZWVIYNCUKFJ-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818761 1220792372 /nfs/dbraw/zinc/79/23/72/1220792372.db2.gz GKVZWVIYNCUKFJ-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818761 1220792377 /nfs/dbraw/zinc/79/23/77/1220792377.db2.gz GKVZWVIYNCUKFJ-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103086857 1220830891 /nfs/dbraw/zinc/83/08/91/1220830891.db2.gz UMHVMXCGTFBLNI-XNRPHZJLSA-N 2 1 364.494 0.023 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136516 1220838826 /nfs/dbraw/zinc/83/88/26/1220838826.db2.gz HAZJQPPFCRMQPK-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136516 1220838828 /nfs/dbraw/zinc/83/88/28/1220838828.db2.gz HAZJQPPFCRMQPK-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136516 1220838829 /nfs/dbraw/zinc/83/88/29/1220838829.db2.gz HAZJQPPFCRMQPK-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136516 1220838832 /nfs/dbraw/zinc/83/88/32/1220838832.db2.gz HAZJQPPFCRMQPK-QBPKDAKJSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136533 1220838931 /nfs/dbraw/zinc/83/89/31/1220838931.db2.gz HPPDEHXGHQYJBC-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136533 1220838932 /nfs/dbraw/zinc/83/89/32/1220838932.db2.gz HPPDEHXGHQYJBC-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136533 1220838934 /nfs/dbraw/zinc/83/89/34/1220838934.db2.gz HPPDEHXGHQYJBC-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136533 1220838938 /nfs/dbraw/zinc/83/89/38/1220838938.db2.gz HPPDEHXGHQYJBC-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136617 1220839188 /nfs/dbraw/zinc/83/91/88/1220839188.db2.gz KYVCXSJTKGQVSK-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136617 1220839190 /nfs/dbraw/zinc/83/91/90/1220839190.db2.gz KYVCXSJTKGQVSK-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136617 1220839193 /nfs/dbraw/zinc/83/91/93/1220839193.db2.gz KYVCXSJTKGQVSK-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136617 1220839195 /nfs/dbraw/zinc/83/91/95/1220839195.db2.gz KYVCXSJTKGQVSK-QBPKDAKJSA-N 2 1 368.522 0.304 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147990 1220840459 /nfs/dbraw/zinc/84/04/59/1220840459.db2.gz JIZVRJDJYBQYJA-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103147990 1220840460 /nfs/dbraw/zinc/84/04/60/1220840460.db2.gz JIZVRJDJYBQYJA-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103147990 1220840463 /nfs/dbraw/zinc/84/04/63/1220840463.db2.gz JIZVRJDJYBQYJA-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376302 1220873363 /nfs/dbraw/zinc/87/33/63/1220873363.db2.gz UGUWEYXRMZLRPS-BMFZPTHFSA-N 2 1 361.490 0.574 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376302 1220873367 /nfs/dbraw/zinc/87/33/67/1220873367.db2.gz UGUWEYXRMZLRPS-BMFZPTHFSA-N 2 1 361.490 0.574 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380442 1220874367 /nfs/dbraw/zinc/87/43/67/1220874367.db2.gz XAOBMIPEXIXGBP-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398444 1220877318 /nfs/dbraw/zinc/87/73/18/1220877318.db2.gz SLIFIHCBZYTCBK-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436128 1220882283 /nfs/dbraw/zinc/88/22/83/1220882283.db2.gz LLHBAGCNDWVTGZ-GVDBMIGSSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436128 1220882285 /nfs/dbraw/zinc/88/22/85/1220882285.db2.gz LLHBAGCNDWVTGZ-GVDBMIGSSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436128 1220882287 /nfs/dbraw/zinc/88/22/87/1220882287.db2.gz LLHBAGCNDWVTGZ-GVDBMIGSSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520514 1220894753 /nfs/dbraw/zinc/89/47/53/1220894753.db2.gz UAEGYMFGVRXUAV-RBSFLKMASA-N 2 1 364.494 0.006 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550412 1220899205 /nfs/dbraw/zinc/89/92/05/1220899205.db2.gz OLNMYFCDTOOFKA-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584204 1220908585 /nfs/dbraw/zinc/90/85/85/1220908585.db2.gz HIYBBIDLRBTMHJ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103641826 1220924208 /nfs/dbraw/zinc/92/42/08/1220924208.db2.gz FXTWWCVMVSZHEC-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103641826 1220924216 /nfs/dbraw/zinc/92/42/16/1220924216.db2.gz FXTWWCVMVSZHEC-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103641826 1220924222 /nfs/dbraw/zinc/92/42/22/1220924222.db2.gz FXTWWCVMVSZHEC-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103648937 1220927831 /nfs/dbraw/zinc/92/78/31/1220927831.db2.gz UFOKWJRNLOJIIE-HZPDHXFCSA-N 2 1 364.490 0.844 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654942 1220930656 /nfs/dbraw/zinc/93/06/56/1220930656.db2.gz IXZFIOKHMLUWNK-OAGGEKHMSA-N 2 1 366.506 0.598 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719245 1220951432 /nfs/dbraw/zinc/95/14/32/1220951432.db2.gz WKXWQKLSHXQGKC-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719245 1220951435 /nfs/dbraw/zinc/95/14/35/1220951435.db2.gz WKXWQKLSHXQGKC-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719245 1220951440 /nfs/dbraw/zinc/95/14/40/1220951440.db2.gz WKXWQKLSHXQGKC-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722294 1220952628 /nfs/dbraw/zinc/95/26/28/1220952628.db2.gz GPFIVZJYBBAJNH-HUUCEWRRSA-N 2 1 367.494 0.002 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103755375 1220965554 /nfs/dbraw/zinc/96/55/54/1220965554.db2.gz FAPLDRQXQFESAQ-KZNAEPCWSA-N 2 1 365.522 0.658 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103755375 1220965559 /nfs/dbraw/zinc/96/55/59/1220965559.db2.gz FAPLDRQXQFESAQ-KZNAEPCWSA-N 2 1 365.522 0.658 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103755375 1220965564 /nfs/dbraw/zinc/96/55/64/1220965564.db2.gz FAPLDRQXQFESAQ-KZNAEPCWSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001103999801 1220996975 /nfs/dbraw/zinc/99/69/75/1220996975.db2.gz LHHWQEMZNKFBLP-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP Cc1nccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034006 1221001756 /nfs/dbraw/zinc/00/17/56/1221001756.db2.gz PAIGOQCOCGZDEW-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1nccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034006 1221001758 /nfs/dbraw/zinc/00/17/58/1221001758.db2.gz PAIGOQCOCGZDEW-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034120 1221001850 /nfs/dbraw/zinc/00/18/50/1221001850.db2.gz SXYXXPLKJZGVBO-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034120 1221001853 /nfs/dbraw/zinc/00/18/53/1221001853.db2.gz SXYXXPLKJZGVBO-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751467 1221089553 /nfs/dbraw/zinc/08/95/53/1221089553.db2.gz XCVOYUAKCSLFNJ-QKLQHJQFSA-N 2 1 362.518 0.777 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111767272 1221098125 /nfs/dbraw/zinc/09/81/25/1221098125.db2.gz WRHBKIIVQMBHFK-FCEWJHQRSA-N 2 1 368.497 0.869 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111767272 1221098129 /nfs/dbraw/zinc/09/81/29/1221098129.db2.gz WRHBKIIVQMBHFK-FCEWJHQRSA-N 2 1 368.497 0.869 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816846 1221125349 /nfs/dbraw/zinc/12/53/49/1221125349.db2.gz AUPSJJOOHQXFHJ-QRFRQXIXSA-N 2 1 362.518 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816846 1221125352 /nfs/dbraw/zinc/12/53/52/1221125352.db2.gz AUPSJJOOHQXFHJ-QRFRQXIXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111870676 1221143785 /nfs/dbraw/zinc/14/37/85/1221143785.db2.gz JDZNMZRMIPIBLW-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111870676 1221143789 /nfs/dbraw/zinc/14/37/89/1221143789.db2.gz JDZNMZRMIPIBLW-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111870676 1221143792 /nfs/dbraw/zinc/14/37/92/1221143792.db2.gz JDZNMZRMIPIBLW-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111870676 1221143795 /nfs/dbraw/zinc/14/37/95/1221143795.db2.gz JDZNMZRMIPIBLW-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001111902725 1221159380 /nfs/dbraw/zinc/15/93/80/1221159380.db2.gz OLSRDLWPIFWMHE-HKUYNNGSSA-N 2 1 361.490 0.613 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001111902725 1221159383 /nfs/dbraw/zinc/15/93/83/1221159383.db2.gz OLSRDLWPIFWMHE-HKUYNNGSSA-N 2 1 361.490 0.613 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001111907881 1221160933 /nfs/dbraw/zinc/16/09/33/1221160933.db2.gz LOUQBLUENZFRAY-KXBFYZLASA-N 2 1 364.490 0.448 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001111908517 1221162778 /nfs/dbraw/zinc/16/27/78/1221162778.db2.gz DCPXGBUFIFAFHU-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916812 1221166973 /nfs/dbraw/zinc/16/69/73/1221166973.db2.gz GJRXCPMKJXMQCY-VCBZYWHSSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001111925852 1221172411 /nfs/dbraw/zinc/17/24/11/1221172411.db2.gz MPGJCKHWNQEVKB-LNLFQRSKSA-N 2 1 363.506 0.557 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001111925852 1221172415 /nfs/dbraw/zinc/17/24/15/1221172415.db2.gz MPGJCKHWNQEVKB-LNLFQRSKSA-N 2 1 363.506 0.557 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001111925852 1221172419 /nfs/dbraw/zinc/17/24/19/1221172419.db2.gz MPGJCKHWNQEVKB-LNLFQRSKSA-N 2 1 363.506 0.557 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937899 1221179007 /nfs/dbraw/zinc/17/90/07/1221179007.db2.gz APTRMGOQZMDCJP-GJYPPUQNSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937899 1221179010 /nfs/dbraw/zinc/17/90/10/1221179010.db2.gz APTRMGOQZMDCJP-GJYPPUQNSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939533 1221179884 /nfs/dbraw/zinc/17/98/84/1221179884.db2.gz FTYXXJDFKLSVLI-LPHOPBHVSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939533 1221179886 /nfs/dbraw/zinc/17/98/86/1221179886.db2.gz FTYXXJDFKLSVLI-LPHOPBHVSA-N 2 1 368.522 0.308 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111947731 1221181693 /nfs/dbraw/zinc/18/16/93/1221181693.db2.gz XYAFHAHKKLDORQ-DOXZYTNZSA-N 2 1 364.490 0.494 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112396820 1221251979 /nfs/dbraw/zinc/25/19/79/1221251979.db2.gz GJDBEOYUDWTPGL-SCTDSRPQSA-N 2 1 363.506 0.414 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112397090 1221252201 /nfs/dbraw/zinc/25/22/01/1221252201.db2.gz RROBJXOMEIIXIO-DOXZYTNZSA-N 2 1 359.474 0.725 20 0 FCADMP CC(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711325 1226029949 /nfs/dbraw/zinc/02/99/49/1226029949.db2.gz ZQRWPTUVNZLLPO-HZPDHXFCSA-N 2 1 366.510 0.954 20 0 FCADMP O=C(NCC[NH+]1CC=CC1)c1cccc(C(=O)NCC[NH+]2CC=CC2)n1 ZINC001116201951 1221342422 /nfs/dbraw/zinc/34/24/22/1221342422.db2.gz ILPSVYWMGATFLR-UHFFFAOYSA-N 2 1 355.442 0.285 20 0 FCADMP Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001116700764 1221381281 /nfs/dbraw/zinc/38/12/81/1221381281.db2.gz UQTRSTPGXKXEIR-UHFFFAOYSA-N 2 1 373.501 0.849 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001116886587 1221399707 /nfs/dbraw/zinc/39/97/07/1221399707.db2.gz NIDITMRJICHKIU-QGZVFWFLSA-N 2 1 366.506 0.430 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001116886587 1221399713 /nfs/dbraw/zinc/39/97/13/1221399713.db2.gz NIDITMRJICHKIU-QGZVFWFLSA-N 2 1 366.506 0.430 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001117281251 1221503551 /nfs/dbraw/zinc/50/35/51/1221503551.db2.gz NPARBLJGIBEWBN-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[nH+]c1 ZINC001117327939 1221519603 /nfs/dbraw/zinc/51/96/03/1221519603.db2.gz ORULZUMYVZHQHJ-GDBMZVCRSA-N 2 1 359.474 0.907 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[nH+]c1 ZINC001117327939 1221519606 /nfs/dbraw/zinc/51/96/06/1221519606.db2.gz ORULZUMYVZHQHJ-GDBMZVCRSA-N 2 1 359.474 0.907 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)CCCO1 ZINC001117481938 1221555055 /nfs/dbraw/zinc/55/50/55/1221555055.db2.gz LGZQFVOVMHNLLP-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC001117481938 1221555056 /nfs/dbraw/zinc/55/50/56/1221555056.db2.gz LGZQFVOVMHNLLP-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC001117481938 1221555059 /nfs/dbraw/zinc/55/50/59/1221555059.db2.gz LGZQFVOVMHNLLP-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)CCCO1 ZINC001117481939 1221555235 /nfs/dbraw/zinc/55/52/35/1221555235.db2.gz LGZQFVOVMHNLLP-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC001117481939 1221555237 /nfs/dbraw/zinc/55/52/37/1221555237.db2.gz LGZQFVOVMHNLLP-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC001117481939 1221555240 /nfs/dbraw/zinc/55/52/40/1221555240.db2.gz LGZQFVOVMHNLLP-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118137402 1221717903 /nfs/dbraw/zinc/71/79/03/1221717903.db2.gz CFDHBWDIMMGHKG-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118137402 1221717906 /nfs/dbraw/zinc/71/79/06/1221717906.db2.gz CFDHBWDIMMGHKG-MOPGFXCFSA-N 2 1 357.502 0.942 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC001118185087 1221728453 /nfs/dbraw/zinc/72/84/53/1221728453.db2.gz SOXHVFQJXRLIBK-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC001118185087 1221728458 /nfs/dbraw/zinc/72/84/58/1221728458.db2.gz SOXHVFQJXRLIBK-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC001118185087 1221728461 /nfs/dbraw/zinc/72/84/61/1221728461.db2.gz SOXHVFQJXRLIBK-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC001118185087 1221728466 /nfs/dbraw/zinc/72/84/66/1221728466.db2.gz SOXHVFQJXRLIBK-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118222189 1221736563 /nfs/dbraw/zinc/73/65/63/1221736563.db2.gz RZOJZJLXSSBYDI-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118222189 1221736570 /nfs/dbraw/zinc/73/65/70/1221736570.db2.gz RZOJZJLXSSBYDI-OALUTQOASA-N 2 1 357.502 0.942 20 0 FCADMP C[C@@H](CN1CCOCC1)[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC001118223544 1221736609 /nfs/dbraw/zinc/73/66/09/1221736609.db2.gz WSNNNWGRPOLFQP-SFHVURJKSA-N 2 1 360.502 0.641 20 0 FCADMP C[C@@H](CN1CCOCC1)[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC001118223544 1221736614 /nfs/dbraw/zinc/73/66/14/1221736614.db2.gz WSNNNWGRPOLFQP-SFHVURJKSA-N 2 1 360.502 0.641 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001118277614 1221749105 /nfs/dbraw/zinc/74/91/05/1221749105.db2.gz KCCOHLKPUCBFKA-ICSRJNTNSA-N 2 1 358.486 0.286 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001118286611 1221751084 /nfs/dbraw/zinc/75/10/84/1221751084.db2.gz HDDBEHGJGFYUDR-UHFFFAOYSA-N 2 1 363.510 0.350 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC001118330746 1221761716 /nfs/dbraw/zinc/76/17/16/1221761716.db2.gz YDEUBOXHZMIHNH-GJYPPUQNSA-N 2 1 366.506 0.191 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001230274669 1226070598 /nfs/dbraw/zinc/07/05/98/1226070598.db2.gz FIHCGJHLQDLJNO-RBSFLKMASA-N 2 1 367.494 0.333 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC001119353905 1221904376 /nfs/dbraw/zinc/90/43/76/1221904376.db2.gz UWMACYXFCLCNKU-BBWFWOEESA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001120676218 1222113682 /nfs/dbraw/zinc/11/36/82/1222113682.db2.gz VQOQWBHYUNYKHV-BBWFWOEESA-N 2 1 365.522 0.761 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC001121898328 1222220815 /nfs/dbraw/zinc/22/08/15/1222220815.db2.gz WZJHNZGSBKFATQ-KBXCAEBGSA-N 2 1 372.469 0.922 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123632002 1222344878 /nfs/dbraw/zinc/34/48/78/1222344878.db2.gz XBVJODOCLNJBNR-HPBDAGMYSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123632002 1222344886 /nfs/dbraw/zinc/34/48/86/1222344886.db2.gz XBVJODOCLNJBNR-HPBDAGMYSA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123632002 1222344890 /nfs/dbraw/zinc/34/48/90/1222344890.db2.gz XBVJODOCLNJBNR-HPBDAGMYSA-N 2 1 367.538 0.298 20 0 FCADMP Nc1ncc(C[N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)cn1 ZINC001138163768 1222487269 /nfs/dbraw/zinc/48/72/69/1222487269.db2.gz CRLLXSGATDQGFC-UHFFFAOYSA-N 2 1 372.477 0.669 20 0 FCADMP Nc1ncc(C[N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)cn1 ZINC001138163768 1222487273 /nfs/dbraw/zinc/48/72/73/1222487273.db2.gz CRLLXSGATDQGFC-UHFFFAOYSA-N 2 1 372.477 0.669 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231773178 1226128561 /nfs/dbraw/zinc/12/85/61/1226128561.db2.gz ZZAWPYUNIZIUIK-IRXDYDNUSA-N 2 1 354.454 0.648 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc4ccncc4[nH]3)C2)OCC1=O ZINC001277578193 1226132869 /nfs/dbraw/zinc/13/28/69/1226132869.db2.gz ADFGUOLVIOWTAQ-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161206149 1222566148 /nfs/dbraw/zinc/56/61/48/1222566148.db2.gz XKWNMCLSSRXWNP-SFHVURJKSA-N 3 1 364.534 0.677 20 0 FCADMP CN1C[C@@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161206149 1222566153 /nfs/dbraw/zinc/56/61/53/1222566153.db2.gz XKWNMCLSSRXWNP-SFHVURJKSA-N 2 1 364.534 0.677 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000834575172 1222579742 /nfs/dbraw/zinc/57/97/42/1222579742.db2.gz BQYGYTSAWKMGIS-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000834575172 1222579747 /nfs/dbraw/zinc/57/97/47/1222579747.db2.gz BQYGYTSAWKMGIS-YESZJQIVSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH+]1CCN(c2ccccc2C[NH+]2CCN(c3ncncn3)CC2)CC1 ZINC001140974665 1222626394 /nfs/dbraw/zinc/62/63/94/1222626394.db2.gz FXIBODOTIIKNJU-UHFFFAOYSA-N 2 1 353.474 0.946 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475734 1222681740 /nfs/dbraw/zinc/68/17/40/1222681740.db2.gz JPSASEIZWPMOIE-MSOLQXFVSA-N 2 1 368.522 0.776 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1C[NH+](C)C ZINC000839483695 1222741152 /nfs/dbraw/zinc/74/11/52/1222741152.db2.gz FIDQGPGAVRFBER-ROUUACIJSA-N 2 1 374.485 0.975 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232361329 1226149232 /nfs/dbraw/zinc/14/92/32/1226149232.db2.gz SVCIMERPLRJBMY-YLJYHZDGSA-N 2 1 373.501 0.560 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000841150017 1222809991 /nfs/dbraw/zinc/80/99/91/1222809991.db2.gz QRWNVDVKEYDEKN-UHFFFAOYSA-N 2 1 373.501 0.964 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000841164610 1222811614 /nfs/dbraw/zinc/81/16/14/1222811614.db2.gz VAAUXQSBJUHMRX-QGZVFWFLSA-N 2 1 373.501 0.977 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841190108 1222812755 /nfs/dbraw/zinc/81/27/55/1222812755.db2.gz PULVYCVYAFAAAQ-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000842035663 1222833199 /nfs/dbraw/zinc/83/31/99/1222833199.db2.gz OBSFQGAVWWVRQS-HNNXBMFYSA-N 2 1 358.446 0.826 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164666 1222838206 /nfs/dbraw/zinc/83/82/06/1222838206.db2.gz MGYRKXULOWAKRO-QZTJIDSGSA-N 2 1 374.485 0.343 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000842164321 1222838952 /nfs/dbraw/zinc/83/89/52/1222838952.db2.gz WAAWQJPXURMHSC-OAHLLOKOSA-N 2 1 358.446 0.826 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000843244211 1222862347 /nfs/dbraw/zinc/86/23/47/1222862347.db2.gz MEOKMZIHCSJFFD-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000843244211 1222862348 /nfs/dbraw/zinc/86/23/48/1222862348.db2.gz MEOKMZIHCSJFFD-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCCCCC[NH3+])C[C@@H](C)O1 ZINC000843266873 1222868526 /nfs/dbraw/zinc/86/85/26/1222868526.db2.gz PSAVGXCQRPLVHV-ZACQAIPSSA-N 2 1 368.522 0.722 20 0 FCADMP CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C[NH3+])CC2)C1=O ZINC000843344841 1222870805 /nfs/dbraw/zinc/87/08/05/1222870805.db2.gz AEOCUIASCPHCNB-IBGZPJMESA-N 2 1 373.457 0.546 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346686 1222870816 /nfs/dbraw/zinc/87/08/16/1222870816.db2.gz GTDCQBOHIQTNSW-NWDGAFQWSA-N 2 1 374.445 0.382 20 0 FCADMP CN1CC[NH+](CCC(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001143236200 1222872762 /nfs/dbraw/zinc/87/27/62/1222872762.db2.gz AYVCHCPSMQGYQG-UHFFFAOYSA-N 2 1 368.522 0.722 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC(C)(C)C)CCCO2)CC[N@@H+]1C ZINC001149734049 1222888736 /nfs/dbraw/zinc/88/87/36/1222888736.db2.gz RGUCTKLVHHFQKR-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NC(C)(C)C)CCCO2)CC[N@H+]1C ZINC001149734049 1222888737 /nfs/dbraw/zinc/88/87/37/1222888737.db2.gz RGUCTKLVHHFQKR-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)CCCO2)CC[NH+]1C ZINC001149734049 1222888738 /nfs/dbraw/zinc/88/87/38/1222888738.db2.gz RGUCTKLVHHFQKR-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)CCCO2)CC[NH+]1C ZINC001149734049 1222888740 /nfs/dbraw/zinc/88/87/40/1222888740.db2.gz RGUCTKLVHHFQKR-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP CCCCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149882204 1222890764 /nfs/dbraw/zinc/89/07/64/1222890764.db2.gz ZLYCCXZZBGPKPB-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149882204 1222890766 /nfs/dbraw/zinc/89/07/66/1222890766.db2.gz ZLYCCXZZBGPKPB-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149882204 1222890770 /nfs/dbraw/zinc/89/07/70/1222890770.db2.gz ZLYCCXZZBGPKPB-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCCCOCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149882204 1222890772 /nfs/dbraw/zinc/89/07/72/1222890772.db2.gz ZLYCCXZZBGPKPB-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CC(C)(C)OC(=O)N1Cc2n[nH]c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2C1 ZINC001149929764 1222892162 /nfs/dbraw/zinc/89/21/62/1222892162.db2.gz ZRNJCKJAFCPGRI-UHFFFAOYSA-N 2 1 365.438 0.735 20 0 FCADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001152645930 1222953484 /nfs/dbraw/zinc/95/34/84/1222953484.db2.gz SYACAGCVSSVKQK-VQTJNVASSA-N 2 1 361.486 0.539 20 0 FCADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001152645932 1222953901 /nfs/dbraw/zinc/95/39/01/1222953901.db2.gz SYACAGCVSSVKQK-WOJBJXKFSA-N 2 1 361.486 0.539 20 0 FCADMP [NH3+][C@H]1Cc2ccccc2N(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001155307322 1223032448 /nfs/dbraw/zinc/03/24/48/1223032448.db2.gz SNHRCSAAECBTTO-AWEZNQCLSA-N 2 1 352.442 0.938 20 0 FCADMP [NH3+]CCCC[C@H](NC(=O)[C@H]1Cc2cc(O)ccc2C[NH2+]1)C(=O)N1CCCC1 ZINC001157371442 1223075399 /nfs/dbraw/zinc/07/53/99/1223075399.db2.gz UYZCTXJOTSGJDE-ZWKOTPCHSA-N 2 1 374.485 0.643 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180505 1223090473 /nfs/dbraw/zinc/09/04/73/1223090473.db2.gz YIVZKVRLMBHZIH-CEXWTWQISA-N 3 1 370.497 0.155 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180505 1223090475 /nfs/dbraw/zinc/09/04/75/1223090475.db2.gz YIVZKVRLMBHZIH-CEXWTWQISA-N 3 1 370.497 0.155 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180506 1223090581 /nfs/dbraw/zinc/09/05/81/1223090581.db2.gz YIVZKVRLMBHZIH-GUDVDZBRSA-N 3 1 370.497 0.155 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180506 1223090584 /nfs/dbraw/zinc/09/05/84/1223090584.db2.gz YIVZKVRLMBHZIH-GUDVDZBRSA-N 3 1 370.497 0.155 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158327913 1223095072 /nfs/dbraw/zinc/09/50/72/1223095072.db2.gz RFPFFLAXTQSZNV-OTWHNJEPSA-N 3 1 370.497 0.537 20 0 FCADMP CN1C[C@@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158327913 1223095074 /nfs/dbraw/zinc/09/50/74/1223095074.db2.gz RFPFFLAXTQSZNV-OTWHNJEPSA-N 2 1 370.497 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001158329611 1223095285 /nfs/dbraw/zinc/09/52/85/1223095285.db2.gz ADSUKVZHAWPAIJ-ZIAGYGMSSA-N 2 1 367.494 0.143 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H](Oc4ncc(F)cn4)C3)n2)CC1 ZINC001158354101 1223095856 /nfs/dbraw/zinc/09/58/56/1223095856.db2.gz RJSUFVASIKSXSE-AWEZNQCLSA-N 2 1 359.409 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)CC[N@H+]1C ZINC001158428713 1223097158 /nfs/dbraw/zinc/09/71/58/1223097158.db2.gz PUBHPNRHEAYRLO-VXGBXAGGSA-N 2 1 361.450 0.005 20 0 FCADMP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533299 1223101654 /nfs/dbraw/zinc/10/16/54/1223101654.db2.gz JZHLWNNNGRVSPZ-IXIUHKBRSA-N 3 1 362.518 0.430 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158855932 1223111438 /nfs/dbraw/zinc/11/14/38/1223111438.db2.gz LXAHRHUTWLBMGG-INIZCTEOSA-N 2 1 362.478 0.084 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc([C@@H](N)C[NH3+])cc1)CC2 ZINC001158890920 1223112383 /nfs/dbraw/zinc/11/23/83/1223112383.db2.gz QJGSVWKHSUSJEO-KRWDZBQOSA-N 2 1 373.501 0.462 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([C@@H]([NH3+])CN)cc1)CC2 ZINC001158890920 1223112385 /nfs/dbraw/zinc/11/23/85/1223112385.db2.gz QJGSVWKHSUSJEO-KRWDZBQOSA-N 2 1 373.501 0.462 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc([C@@H]([NH3+])CN)cc1)CC2 ZINC001158890920 1223112386 /nfs/dbraw/zinc/11/23/86/1223112386.db2.gz QJGSVWKHSUSJEO-KRWDZBQOSA-N 2 1 373.501 0.462 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC[C@@H]21 ZINC001159534736 1223129288 /nfs/dbraw/zinc/12/92/88/1223129288.db2.gz QESQXTATOZRQAN-DOADOZAASA-N 2 1 374.533 0.664 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666251 1223133069 /nfs/dbraw/zinc/13/30/69/1223133069.db2.gz PQWBDWVWOPWOOV-SJORKVTESA-N 2 1 374.489 0.537 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855101 1223138436 /nfs/dbraw/zinc/13/84/36/1223138436.db2.gz HVEZSWAFSQVUMG-NXHRZFHOSA-N 3 1 364.465 0.946 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855101 1223138437 /nfs/dbraw/zinc/13/84/37/1223138437.db2.gz HVEZSWAFSQVUMG-NXHRZFHOSA-N 2 1 364.465 0.946 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159872805 1223139050 /nfs/dbraw/zinc/13/90/50/1223139050.db2.gz FONXJLQDCBICQE-LJQANCHMSA-N 2 1 374.489 0.016 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001160036850 1223143473 /nfs/dbraw/zinc/14/34/73/1223143473.db2.gz XQKQNHWBYKYRSU-MSOLQXFVSA-N 2 1 367.453 0.857 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086109 1223144784 /nfs/dbraw/zinc/14/47/84/1223144784.db2.gz QVLLBPOQMQDMLS-YLJYHZDGSA-N 2 1 371.485 0.278 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175446 1223148316 /nfs/dbraw/zinc/14/83/16/1223148316.db2.gz RPAKOQDCYJAWKG-VNHYZAJKSA-N 2 1 365.478 0.048 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175446 1223148320 /nfs/dbraw/zinc/14/83/20/1223148320.db2.gz RPAKOQDCYJAWKG-VNHYZAJKSA-N 2 1 365.478 0.048 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175446 1223148325 /nfs/dbraw/zinc/14/83/25/1223148325.db2.gz RPAKOQDCYJAWKG-VNHYZAJKSA-N 2 1 365.478 0.048 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)C[C@@H]21 ZINC001160424384 1223159270 /nfs/dbraw/zinc/15/92/70/1223159270.db2.gz SKVVLPSXUDZSMX-VINWQNLFSA-N 2 1 357.502 0.687 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001160467493 1223160689 /nfs/dbraw/zinc/16/06/89/1223160689.db2.gz VBKSQUZWUXKMKE-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001160467493 1223160692 /nfs/dbraw/zinc/16/06/92/1223160692.db2.gz VBKSQUZWUXKMKE-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001160467493 1223160695 /nfs/dbraw/zinc/16/06/95/1223160695.db2.gz VBKSQUZWUXKMKE-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+]([C@@H]3CCN(C)C3=O)CC2)O1 ZINC001160467493 1223160698 /nfs/dbraw/zinc/16/06/98/1223160698.db2.gz VBKSQUZWUXKMKE-DJIMGWMZSA-N 2 1 364.490 0.075 20 0 FCADMP CCOC(=O)c1nc2ccn(C)c2c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512928 1223163610 /nfs/dbraw/zinc/16/36/10/1223163610.db2.gz GLAYNBGOAMJFSU-SFHVURJKSA-N 2 1 358.446 0.402 20 0 FCADMP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160709651 1223169160 /nfs/dbraw/zinc/16/91/60/1223169160.db2.gz HRMITOHLYKRTHZ-NQIIRXRSSA-N 2 1 354.498 0.987 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])C[C@H]2C1 ZINC001160704895 1223169276 /nfs/dbraw/zinc/16/92/76/1223169276.db2.gz QHRQETCDFHSXSP-DAYGRLMNSA-N 2 1 369.469 0.174 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc([C@H]([NH3+])CN)cc3)C[C@H]1C2 ZINC001160800238 1223173838 /nfs/dbraw/zinc/17/38/38/1223173838.db2.gz RJLSSABPKPZLDQ-JZBZHOAESA-N 2 1 372.469 0.116 20 0 FCADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160825727 1223176173 /nfs/dbraw/zinc/17/61/73/1223176173.db2.gz JMQJWOIRJKZCCX-CQSZACIVSA-N 2 1 363.462 0.762 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001160857608 1223177958 /nfs/dbraw/zinc/17/79/58/1223177958.db2.gz MUEDFNSRQCBELP-HLLBOEOZSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001160857608 1223177961 /nfs/dbraw/zinc/17/79/61/1223177961.db2.gz MUEDFNSRQCBELP-HLLBOEOZSA-N 2 1 368.522 0.639 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)O1 ZINC001160862351 1223179144 /nfs/dbraw/zinc/17/91/44/1223179144.db2.gz OEUUZKQFKYJKHH-WQVCFCJDSA-N 2 1 366.437 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)O1 ZINC001160862351 1223179148 /nfs/dbraw/zinc/17/91/48/1223179148.db2.gz OEUUZKQFKYJKHH-WQVCFCJDSA-N 2 1 366.437 0.167 20 0 FCADMP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160940816 1223181150 /nfs/dbraw/zinc/18/11/50/1223181150.db2.gz GXEGAGSPSHAZRA-RDJZCZTQSA-N 2 1 356.470 0.397 20 0 FCADMP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001160940816 1223181152 /nfs/dbraw/zinc/18/11/52/1223181152.db2.gz GXEGAGSPSHAZRA-RDJZCZTQSA-N 2 1 356.470 0.397 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160956738 1223181880 /nfs/dbraw/zinc/18/18/80/1223181880.db2.gz MZOASMHBHPKOSY-GBOPCIDUSA-N 2 1 358.446 0.354 20 0 FCADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161049291 1223184282 /nfs/dbraw/zinc/18/42/82/1223184282.db2.gz FLIAAERZLPANHO-ULQDDVLXSA-N 3 1 367.538 0.375 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC2=CCN(CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001161265020 1223193025 /nfs/dbraw/zinc/19/30/25/1223193025.db2.gz RGWYEKAKVKRIMX-MOPGFXCFSA-N 2 1 370.497 0.956 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001161265020 1223193028 /nfs/dbraw/zinc/19/30/28/1223193028.db2.gz RGWYEKAKVKRIMX-MOPGFXCFSA-N 2 1 370.497 0.956 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001161265020 1223193030 /nfs/dbraw/zinc/19/30/30/1223193030.db2.gz RGWYEKAKVKRIMX-MOPGFXCFSA-N 2 1 370.497 0.956 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001161265020 1223193033 /nfs/dbraw/zinc/19/30/33/1223193033.db2.gz RGWYEKAKVKRIMX-MOPGFXCFSA-N 2 1 370.497 0.956 20 0 FCADMP C[NH+]1C[C@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001161265020 1223193035 /nfs/dbraw/zinc/19/30/35/1223193035.db2.gz RGWYEKAKVKRIMX-MOPGFXCFSA-N 2 1 370.497 0.956 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]12 ZINC001161414680 1223198510 /nfs/dbraw/zinc/19/85/10/1223198510.db2.gz YNOFXMCKMRTZGR-YDZRNGNQSA-N 3 1 354.498 0.904 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@H]12 ZINC001161414680 1223198512 /nfs/dbraw/zinc/19/85/12/1223198512.db2.gz YNOFXMCKMRTZGR-YDZRNGNQSA-N 3 1 354.498 0.904 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H](N)Cc1c[nH]c2ncccc12)[C@@H]1CCC[NH2+]C1 ZINC001161447728 1223199466 /nfs/dbraw/zinc/19/94/66/1223199466.db2.gz YWVQGWHKIPQPFL-WBVHZDCISA-N 2 1 358.490 0.575 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283343 1223212580 /nfs/dbraw/zinc/21/25/80/1223212580.db2.gz XQXPHTYJWKKAOZ-BZUAXINKSA-N 2 1 368.522 0.435 20 0 FCADMP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001162283386 1223212617 /nfs/dbraw/zinc/21/26/17/1223212617.db2.gz YXRORJUYGGRVSU-OAGGEKHMSA-N 2 1 366.506 0.060 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001162730579 1223218969 /nfs/dbraw/zinc/21/89/69/1223218969.db2.gz OPOILWNFNDRDBY-OAHLLOKOSA-N 3 1 364.494 0.947 20 0 FCADMP O=c1cc(CNc2c[nH+]ccc2N2CCOCC2)nc2n1CCC[NH2+]C2 ZINC001163117674 1223225905 /nfs/dbraw/zinc/22/59/05/1223225905.db2.gz ACRQQUSRTBWLJN-UHFFFAOYSA-N 2 1 356.430 0.580 20 0 FCADMP c1cc(C[N@H+]2CCCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)ccn1 ZINC001163827475 1223234227 /nfs/dbraw/zinc/23/42/27/1223234227.db2.gz WWVIGXZEMRFPJG-UHFFFAOYSA-N 2 1 353.474 0.994 20 0 FCADMP COCCOC[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164583136 1223240183 /nfs/dbraw/zinc/24/01/83/1223240183.db2.gz UTDKOEQMFOUOTK-BRWVUGGUSA-N 2 1 371.522 0.227 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)CC1 ZINC001165082823 1223241567 /nfs/dbraw/zinc/24/15/67/1223241567.db2.gz UJHWLZLMINVTOB-UHFFFAOYSA-N 2 1 358.490 0.155 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H](N4CCOCC4)[C@H](F)C3)n2)CC1 ZINC001165212673 1223243476 /nfs/dbraw/zinc/24/34/76/1223243476.db2.gz VDEURNMVSKHSQD-HZPDHXFCSA-N 2 1 364.469 0.653 20 0 FCADMP c1nc(CN(c2ncccn2)c2ncnc3c2C[NH2+]C3)c2n1CCC[NH2+]C2 ZINC001166492683 1223280037 /nfs/dbraw/zinc/28/00/37/1223280037.db2.gz MWZJQYAJJYWVQM-UHFFFAOYSA-N 2 1 363.429 0.898 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205188781 1223315612 /nfs/dbraw/zinc/31/56/12/1223315612.db2.gz RBJMPJAKKULNOU-BHIYHBOVSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205188781 1223315614 /nfs/dbraw/zinc/31/56/14/1223315614.db2.gz RBJMPJAKKULNOU-BHIYHBOVSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205188781 1223315616 /nfs/dbraw/zinc/31/56/16/1223315616.db2.gz RBJMPJAKKULNOU-BHIYHBOVSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205188781 1223315618 /nfs/dbraw/zinc/31/56/18/1223315618.db2.gz RBJMPJAKKULNOU-BHIYHBOVSA-N 2 1 361.486 0.537 20 0 FCADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001205228957 1223318849 /nfs/dbraw/zinc/31/88/49/1223318849.db2.gz KUNHGUGNNCACBP-LJQANCHMSA-N 3 1 358.490 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCN3CCCC3=O)CC2)O1 ZINC001205519095 1223330196 /nfs/dbraw/zinc/33/01/96/1223330196.db2.gz VFQGNSZYYKNGAR-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCN3CCCC3=O)CC2)O1 ZINC001205519095 1223330199 /nfs/dbraw/zinc/33/01/99/1223330199.db2.gz VFQGNSZYYKNGAR-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC2(CC[NH+]([C@@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205519503 1223330210 /nfs/dbraw/zinc/33/02/10/1223330210.db2.gz QUPWBGNNDZLSLI-HRCADAONSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001205519001 1223330266 /nfs/dbraw/zinc/33/02/66/1223330266.db2.gz RJDFSVDYMQPSHC-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CCNC(=O)C3CC3)CC2)O1 ZINC001205519001 1223330269 /nfs/dbraw/zinc/33/02/69/1223330269.db2.gz RJDFSVDYMQPSHC-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205678802 1223335077 /nfs/dbraw/zinc/33/50/77/1223335077.db2.gz URRLTRZXPHKFMW-DOTOQJQBSA-N 2 1 364.465 0.927 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686076 1223335149 /nfs/dbraw/zinc/33/51/49/1223335149.db2.gz RDCWTDVIJBCFBQ-DOTOQJQBSA-N 2 1 364.465 0.796 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986557 1223402539 /nfs/dbraw/zinc/40/25/39/1223402539.db2.gz YNEOIZJQWPYVMC-NVXWUHKLSA-N 2 1 367.494 0.158 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617033 1223461727 /nfs/dbraw/zinc/46/17/27/1223461727.db2.gz MNXIFJKHXJVGLX-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207617033 1223461730 /nfs/dbraw/zinc/46/17/30/1223461730.db2.gz MNXIFJKHXJVGLX-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207617033 1223461732 /nfs/dbraw/zinc/46/17/32/1223461732.db2.gz MNXIFJKHXJVGLX-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC001276542824 1223463172 /nfs/dbraw/zinc/46/31/72/1223463172.db2.gz FRDRZXZQBVCFEX-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC001276542824 1223463174 /nfs/dbraw/zinc/46/31/74/1223463174.db2.gz FRDRZXZQBVCFEX-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207767569 1223477971 /nfs/dbraw/zinc/47/79/71/1223477971.db2.gz ZBJBJJSWMDMOQV-NVXWUHKLSA-N 2 1 359.474 0.577 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207767569 1223477974 /nfs/dbraw/zinc/47/79/74/1223477974.db2.gz ZBJBJJSWMDMOQV-NVXWUHKLSA-N 2 1 359.474 0.577 20 0 FCADMP CC(C)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001207967292 1223501271 /nfs/dbraw/zinc/50/12/71/1223501271.db2.gz WXDMBOKNHPHKMM-RHSMWYFYSA-N 2 1 370.457 0.842 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001276566369 1223522797 /nfs/dbraw/zinc/52/27/97/1223522797.db2.gz OVIPJRKGVKRQAY-MAUKXSAKSA-N 2 1 354.458 0.975 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395756 1223538356 /nfs/dbraw/zinc/53/83/56/1223538356.db2.gz FDIQEQVOYHFBBH-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395756 1223538360 /nfs/dbraw/zinc/53/83/60/1223538360.db2.gz FDIQEQVOYHFBBH-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395756 1223538367 /nfs/dbraw/zinc/53/83/67/1223538367.db2.gz FDIQEQVOYHFBBH-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395756 1223538377 /nfs/dbraw/zinc/53/83/77/1223538377.db2.gz FDIQEQVOYHFBBH-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001208408301 1223541251 /nfs/dbraw/zinc/54/12/51/1223541251.db2.gz YNHUXYLXQPUWBI-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001208408301 1223541253 /nfs/dbraw/zinc/54/12/53/1223541253.db2.gz YNHUXYLXQPUWBI-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496083 1223550486 /nfs/dbraw/zinc/55/04/86/1223550486.db2.gz JGIOWZXZFCJWMQ-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496083 1223550489 /nfs/dbraw/zinc/55/04/89/1223550489.db2.gz JGIOWZXZFCJWMQ-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575145 1223559155 /nfs/dbraw/zinc/55/91/55/1223559155.db2.gz JYIRZRHMIJEBNF-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575145 1223559159 /nfs/dbraw/zinc/55/91/59/1223559159.db2.gz JYIRZRHMIJEBNF-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208605252 1223562419 /nfs/dbraw/zinc/56/24/19/1223562419.db2.gz QNDROXVHWOHSEI-CRAIPNDOSA-N 2 1 360.502 0.977 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208605252 1223562421 /nfs/dbraw/zinc/56/24/21/1223562421.db2.gz QNDROXVHWOHSEI-CRAIPNDOSA-N 2 1 360.502 0.977 20 0 FCADMP CCOC(=O)[C@@H]1CN(C2COC2)C(=O)C12CC[NH+](CCC[NH+](C)C)CC2 ZINC001276609579 1223593296 /nfs/dbraw/zinc/59/32/96/1223593296.db2.gz JRORSJIWGJNNAQ-INIZCTEOSA-N 2 1 367.490 0.441 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](CCN4CCOCC4)C3)O2)CC1 ZINC001209289293 1223608241 /nfs/dbraw/zinc/60/82/41/1223608241.db2.gz AUJJNXSMEAJDCE-WOJBJXKFSA-N 2 1 366.550 0.580 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](CCN4CCOCC4)C3)O2)CC1 ZINC001209289293 1223608244 /nfs/dbraw/zinc/60/82/44/1223608244.db2.gz AUJJNXSMEAJDCE-WOJBJXKFSA-N 2 1 366.550 0.580 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001209347257 1223612409 /nfs/dbraw/zinc/61/24/09/1223612409.db2.gz RYZUEXDENDGFEB-ZIAGYGMSSA-N 2 1 362.474 0.248 20 0 FCADMP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209347257 1223612413 /nfs/dbraw/zinc/61/24/13/1223612413.db2.gz RYZUEXDENDGFEB-ZIAGYGMSSA-N 2 1 362.474 0.248 20 0 FCADMP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514040 1223626550 /nfs/dbraw/zinc/62/65/50/1223626550.db2.gz FWJJLUYBRXHSGY-FGTMMUONSA-N 2 1 369.506 0.341 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514040 1223626552 /nfs/dbraw/zinc/62/65/52/1223626552.db2.gz FWJJLUYBRXHSGY-FGTMMUONSA-N 2 1 369.506 0.341 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209699329 1223642154 /nfs/dbraw/zinc/64/21/54/1223642154.db2.gz ZKTAVDGXJPVMNT-FGTMMUONSA-N 2 1 371.522 0.179 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001209730749 1223645116 /nfs/dbraw/zinc/64/51/16/1223645116.db2.gz OTTPRZRMDAGPBF-OIISXLGYSA-N 2 1 360.458 0.437 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001209730749 1223645120 /nfs/dbraw/zinc/64/51/20/1223645120.db2.gz OTTPRZRMDAGPBF-OIISXLGYSA-N 2 1 360.458 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836559 1223652971 /nfs/dbraw/zinc/65/29/71/1223652971.db2.gz NARMLQLEPTZLQR-CRAIPNDOSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314548 1223682015 /nfs/dbraw/zinc/68/20/15/1223682015.db2.gz ASDBEIDIERRHNS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314548 1223682019 /nfs/dbraw/zinc/68/20/19/1223682019.db2.gz ASDBEIDIERRHNS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315211 1223682369 /nfs/dbraw/zinc/68/23/69/1223682369.db2.gz MRCUCXZBTYEJHW-IAGOWNOFSA-N 2 1 370.538 0.650 20 0 FCADMP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315211 1223682372 /nfs/dbraw/zinc/68/23/72/1223682372.db2.gz MRCUCXZBTYEJHW-IAGOWNOFSA-N 2 1 370.538 0.650 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321603 1223682872 /nfs/dbraw/zinc/68/28/72/1223682872.db2.gz GBYDZVURZHADMS-OAGGEKHMSA-N 2 1 368.522 0.401 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427122 1223690584 /nfs/dbraw/zinc/69/05/84/1223690584.db2.gz NVJZBKHKSUQHJF-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427122 1223690586 /nfs/dbraw/zinc/69/05/86/1223690586.db2.gz NVJZBKHKSUQHJF-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427462 1223690950 /nfs/dbraw/zinc/69/09/50/1223690950.db2.gz UBORBHRFZDWVRB-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427462 1223690955 /nfs/dbraw/zinc/69/09/55/1223690955.db2.gz UBORBHRFZDWVRB-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211031867 1223719804 /nfs/dbraw/zinc/71/98/04/1223719804.db2.gz OQNLWUYLDNGKME-BFYDXBDKSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211031867 1223719807 /nfs/dbraw/zinc/71/98/07/1223719807.db2.gz OQNLWUYLDNGKME-BFYDXBDKSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211031867 1223719810 /nfs/dbraw/zinc/71/98/10/1223719810.db2.gz OQNLWUYLDNGKME-BFYDXBDKSA-N 2 1 362.474 0.626 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211031867 1223719813 /nfs/dbraw/zinc/71/98/13/1223719813.db2.gz OQNLWUYLDNGKME-BFYDXBDKSA-N 2 1 362.474 0.626 20 0 FCADMP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211032312 1223719930 /nfs/dbraw/zinc/71/99/30/1223719930.db2.gz YUTDBKXOSDYUJV-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211032312 1223719932 /nfs/dbraw/zinc/71/99/32/1223719932.db2.gz YUTDBKXOSDYUJV-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211032312 1223719934 /nfs/dbraw/zinc/71/99/34/1223719934.db2.gz YUTDBKXOSDYUJV-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211032312 1223719936 /nfs/dbraw/zinc/71/99/36/1223719936.db2.gz YUTDBKXOSDYUJV-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276693906 1223723215 /nfs/dbraw/zinc/72/32/15/1223723215.db2.gz OUMQNBBOJVPQKE-MAUKXSAKSA-N 2 1 362.430 0.177 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094519 1223725493 /nfs/dbraw/zinc/72/54/93/1223725493.db2.gz DEOANHNFCJBRRA-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094519 1223725494 /nfs/dbraw/zinc/72/54/94/1223725494.db2.gz DEOANHNFCJBRRA-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326497 1223734908 /nfs/dbraw/zinc/73/49/08/1223734908.db2.gz QLEXWTIFJSKVMR-HZPDHXFCSA-N 2 1 364.490 0.448 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447691 1223742276 /nfs/dbraw/zinc/74/22/76/1223742276.db2.gz BQMVKUKTIHSTJN-NXHRZFHOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001211447691 1223742280 /nfs/dbraw/zinc/74/22/80/1223742280.db2.gz BQMVKUKTIHSTJN-NXHRZFHOSA-N 2 1 358.486 0.786 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336297 1223787019 /nfs/dbraw/zinc/78/70/19/1223787019.db2.gz VTSVPCXOZCXABY-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213336297 1223787022 /nfs/dbraw/zinc/78/70/22/1223787022.db2.gz VTSVPCXOZCXABY-CGTJXYLNSA-N 2 1 364.490 0.996 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369603 1223791224 /nfs/dbraw/zinc/79/12/24/1223791224.db2.gz YEFMEOPZDQJJGV-KZNAEPCWSA-N 2 1 369.506 0.339 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213399599 1223793899 /nfs/dbraw/zinc/79/38/99/1223793899.db2.gz AYRMDHXIPVCRDL-KZNAEPCWSA-N 2 1 365.522 0.847 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213399599 1223793902 /nfs/dbraw/zinc/79/39/02/1223793902.db2.gz AYRMDHXIPVCRDL-KZNAEPCWSA-N 2 1 365.522 0.847 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434577 1223798232 /nfs/dbraw/zinc/79/82/32/1223798232.db2.gz HSFMKEGGIPAJPO-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434577 1223798234 /nfs/dbraw/zinc/79/82/34/1223798234.db2.gz HSFMKEGGIPAJPO-IXDOHACOSA-N 2 1 368.522 0.448 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753235 1223844370 /nfs/dbraw/zinc/84/43/70/1223844370.db2.gz DKKURNAHAPVEFD-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213802232 1223852448 /nfs/dbraw/zinc/85/24/48/1223852448.db2.gz OHFRDYGBYHWFRB-QZTJIDSGSA-N 2 1 364.490 0.985 20 0 FCADMP CO[C@@H]1CN(CCOCC2CCC2)C[C@H]1NC(=O)CCc1cncn1C ZINC001213802232 1223852450 /nfs/dbraw/zinc/85/24/50/1223852450.db2.gz OHFRDYGBYHWFRB-QZTJIDSGSA-N 2 1 364.490 0.985 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929745 1223875302 /nfs/dbraw/zinc/87/53/02/1223875302.db2.gz JJAHNFJHKXGYBD-IPMKNSEASA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929745 1223875303 /nfs/dbraw/zinc/87/53/03/1223875303.db2.gz JJAHNFJHKXGYBD-IPMKNSEASA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929745 1223875305 /nfs/dbraw/zinc/87/53/05/1223875305.db2.gz JJAHNFJHKXGYBD-IPMKNSEASA-N 2 1 363.502 0.746 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC000978160437 1248710495 /nfs/dbraw/zinc/71/04/95/1248710495.db2.gz VGURURVQCTUWDH-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC000978160437 1248710510 /nfs/dbraw/zinc/71/05/10/1248710510.db2.gz VGURURVQCTUWDH-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC000978160437 1248710515 /nfs/dbraw/zinc/71/05/15/1248710515.db2.gz VGURURVQCTUWDH-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCCCn1cncn1 ZINC001214389323 1223906808 /nfs/dbraw/zinc/90/68/08/1223906808.db2.gz VUIBPBZJZCJFFG-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCCCn1cncn1 ZINC001214389323 1223906810 /nfs/dbraw/zinc/90/68/10/1223906810.db2.gz VUIBPBZJZCJFFG-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001214389399 1223907156 /nfs/dbraw/zinc/90/71/56/1223907156.db2.gz XHYPNSGTIZDILZ-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001214389399 1223907160 /nfs/dbraw/zinc/90/71/60/1223907160.db2.gz XHYPNSGTIZDILZ-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1[NH2+]CCOCCO ZINC001214674290 1223931410 /nfs/dbraw/zinc/93/14/10/1223931410.db2.gz OFBLCHRZEHRDLP-KBRIMQKVSA-N 2 1 365.478 0.235 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1[NH2+]CCOCCO ZINC001214674290 1223931414 /nfs/dbraw/zinc/93/14/14/1223931414.db2.gz OFBLCHRZEHRDLP-KBRIMQKVSA-N 2 1 365.478 0.235 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001214780255 1223941828 /nfs/dbraw/zinc/94/18/28/1223941828.db2.gz RUCAHISYCGMKGG-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889347 1223952171 /nfs/dbraw/zinc/95/21/71/1223952171.db2.gz JKPCPPHZFFWSSL-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214949784 1223958346 /nfs/dbraw/zinc/95/83/46/1223958346.db2.gz AGZYEAAAONWRGC-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214949784 1223958350 /nfs/dbraw/zinc/95/83/50/1223958350.db2.gz AGZYEAAAONWRGC-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214968941 1223960056 /nfs/dbraw/zinc/96/00/56/1223960056.db2.gz FFVATLKABGTGEX-OIISXLGYSA-N 2 1 362.474 0.817 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214969755 1223960532 /nfs/dbraw/zinc/96/05/32/1223960532.db2.gz YVVLKMIQJBOTLS-RBSFLKMASA-N 2 1 360.462 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215024329 1223965094 /nfs/dbraw/zinc/96/50/94/1223965094.db2.gz JCOPUUDJFHGDSR-MLGOLLRUSA-N 2 1 363.462 0.313 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215185115 1223980742 /nfs/dbraw/zinc/98/07/42/1223980742.db2.gz ZELUTDMVHPDKCN-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001215934318 1224025157 /nfs/dbraw/zinc/02/51/57/1224025157.db2.gz NWEYWRODJAWYBG-QZTJIDSGSA-N 2 1 363.506 0.822 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001215972940 1224027810 /nfs/dbraw/zinc/02/78/10/1224027810.db2.gz FYKDCNJENZAIKM-OWCLPIDISA-N 2 1 366.506 0.740 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215977025 1224028015 /nfs/dbraw/zinc/02/80/15/1224028015.db2.gz BTJURFOAMCTJIC-QLFBSQMISA-N 2 1 369.510 0.518 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001216214240 1224039465 /nfs/dbraw/zinc/03/94/65/1224039465.db2.gz ZBSKIEILQISFGL-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216514582 1224053577 /nfs/dbraw/zinc/05/35/77/1224053577.db2.gz JSYFDPXJUQHKLU-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801407 1224073771 /nfs/dbraw/zinc/07/37/71/1224073771.db2.gz MOTRGPBYELDADQ-OIISXLGYSA-N 2 1 368.522 0.448 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801407 1224073775 /nfs/dbraw/zinc/07/37/75/1224073775.db2.gz MOTRGPBYELDADQ-OIISXLGYSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216853930 1224079328 /nfs/dbraw/zinc/07/93/28/1224079328.db2.gz OUXCNXARPOGFDC-JFIYKMOQSA-N 2 1 367.490 0.934 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216852098 1224079335 /nfs/dbraw/zinc/07/93/35/1224079335.db2.gz OVJCAAARNJCYOQ-HUUCEWRRSA-N 2 1 365.526 0.747 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978364188 1248733445 /nfs/dbraw/zinc/73/34/45/1248733445.db2.gz ZGLZCOWAMLPOPV-ZQOJQMTGSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1cccnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978364188 1248733454 /nfs/dbraw/zinc/73/34/54/1248733454.db2.gz ZGLZCOWAMLPOPV-ZQOJQMTGSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978364188 1248733462 /nfs/dbraw/zinc/73/34/62/1248733462.db2.gz ZGLZCOWAMLPOPV-ZQOJQMTGSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978364188 1248733467 /nfs/dbraw/zinc/73/34/67/1248733467.db2.gz ZGLZCOWAMLPOPV-ZQOJQMTGSA-N 2 1 358.486 0.903 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCCNC4=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282719 1248776765 /nfs/dbraw/zinc/77/67/65/1248776765.db2.gz GOHHYVLTKSBULR-BIQFIRCYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@@H]4CCCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282719 1248776770 /nfs/dbraw/zinc/77/67/70/1248776770.db2.gz GOHHYVLTKSBULR-BIQFIRCYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+]([C@@H]4CCCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282719 1248776779 /nfs/dbraw/zinc/77/67/79/1248776779.db2.gz GOHHYVLTKSBULR-BIQFIRCYSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000985440771 1248922221 /nfs/dbraw/zinc/92/22/21/1248922221.db2.gz QDPQFDHPBYLECQ-ARFHVFGLSA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985440771 1248922230 /nfs/dbraw/zinc/92/22/30/1248922230.db2.gz QDPQFDHPBYLECQ-ARFHVFGLSA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985440771 1248922241 /nfs/dbraw/zinc/92/22/41/1248922241.db2.gz QDPQFDHPBYLECQ-ARFHVFGLSA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000985440774 1248923229 /nfs/dbraw/zinc/92/32/29/1248923229.db2.gz QDPQFDHPBYLECQ-XHSDSOJGSA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985440774 1248923237 /nfs/dbraw/zinc/92/32/37/1248923237.db2.gz QDPQFDHPBYLECQ-XHSDSOJGSA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC000985440774 1248923246 /nfs/dbraw/zinc/92/32/46/1248923246.db2.gz QDPQFDHPBYLECQ-XHSDSOJGSA-N 2 1 364.490 0.445 20 0 FCADMP COCc1noc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)n1 ZINC000985442836 1248924761 /nfs/dbraw/zinc/92/47/61/1248924761.db2.gz ULTKYIZWLZNIHB-UKRRQHHQSA-N 2 1 365.478 0.979 20 0 FCADMP COCc1noc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)n1 ZINC000985442836 1248924768 /nfs/dbraw/zinc/92/47/68/1248924768.db2.gz ULTKYIZWLZNIHB-UKRRQHHQSA-N 2 1 365.478 0.979 20 0 FCADMP COCc1noc(C[NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000985442836 1248924778 /nfs/dbraw/zinc/92/47/78/1248924778.db2.gz ULTKYIZWLZNIHB-UKRRQHHQSA-N 2 1 365.478 0.979 20 0 FCADMP COCc1noc(C[NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000985442836 1248924785 /nfs/dbraw/zinc/92/47/85/1248924785.db2.gz ULTKYIZWLZNIHB-UKRRQHHQSA-N 2 1 365.478 0.979 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985491080 1248940901 /nfs/dbraw/zinc/94/09/01/1248940901.db2.gz AJBZOUSCBWPUPN-RDTXWAMCSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985491080 1248940912 /nfs/dbraw/zinc/94/09/12/1248940912.db2.gz AJBZOUSCBWPUPN-RDTXWAMCSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985491080 1248940922 /nfs/dbraw/zinc/94/09/22/1248940922.db2.gz AJBZOUSCBWPUPN-RDTXWAMCSA-N 2 1 363.506 0.870 20 0 FCADMP Cc1nn(C)cc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985491080 1248940928 /nfs/dbraw/zinc/94/09/28/1248940928.db2.gz AJBZOUSCBWPUPN-RDTXWAMCSA-N 2 1 363.506 0.870 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494898 1248943346 /nfs/dbraw/zinc/94/33/46/1248943346.db2.gz HYHHYJLLOCMPNC-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494898 1248943350 /nfs/dbraw/zinc/94/33/50/1248943350.db2.gz HYHHYJLLOCMPNC-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)[C@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494898 1248943356 /nfs/dbraw/zinc/94/33/56/1248943356.db2.gz HYHHYJLLOCMPNC-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494898 1248943368 /nfs/dbraw/zinc/94/33/68/1248943368.db2.gz HYHHYJLLOCMPNC-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494894 1248944084 /nfs/dbraw/zinc/94/40/84/1248944084.db2.gz HYHHYJLLOCMPNC-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494894 1248944089 /nfs/dbraw/zinc/94/40/89/1248944089.db2.gz HYHHYJLLOCMPNC-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494894 1248944100 /nfs/dbraw/zinc/94/41/00/1248944100.db2.gz HYHHYJLLOCMPNC-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCCN(C)C3=O)CC2)O1 ZINC000985494894 1248944114 /nfs/dbraw/zinc/94/41/14/1248944114.db2.gz HYHHYJLLOCMPNC-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000988094749 1249338675 /nfs/dbraw/zinc/33/86/75/1249338675.db2.gz MEPYUNNIJWAJQC-SOLBZPMBSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994033460 1250159554 /nfs/dbraw/zinc/15/95/54/1250159554.db2.gz PXHPWASDRCLNLE-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP CNC(=O)COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849053114 1245390563 /nfs/dbraw/zinc/39/05/63/1245390563.db2.gz ZPZHQEYHIUHTEY-UHFFFAOYSA-N 2 1 363.462 0.148 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000849112779 1245392934 /nfs/dbraw/zinc/39/29/34/1245392934.db2.gz CDSVCWNGMDQJSO-OAHLLOKOSA-N 2 1 369.510 0.910 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111650 1245393001 /nfs/dbraw/zinc/39/30/01/1245393001.db2.gz YPWDUHUQGAICOX-HNNXBMFYSA-N 2 1 370.542 0.899 20 0 FCADMP COc1cc(OC)cc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849101431 1245393164 /nfs/dbraw/zinc/39/31/64/1245393164.db2.gz XNFMFJVQQZUDLT-QGZVFWFLSA-N 2 1 366.462 0.573 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000891563257 1245455646 /nfs/dbraw/zinc/45/56/46/1245455646.db2.gz BRVQHQXSJBSKHL-SJORKVTESA-N 2 1 367.538 0.470 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000911504855 1245501932 /nfs/dbraw/zinc/50/19/32/1245501932.db2.gz NXZSFLIVNPTVOU-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911515198 1245503207 /nfs/dbraw/zinc/50/32/07/1245503207.db2.gz AWTQBSJXQSPQPL-IAGOWNOFSA-N 2 1 374.485 0.297 20 0 FCADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923280661 1245703526 /nfs/dbraw/zinc/70/35/26/1245703526.db2.gz CEDTVCWKJCSNCP-MSOLQXFVSA-N 2 1 361.486 0.879 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000923321514 1245709879 /nfs/dbraw/zinc/70/98/79/1245709879.db2.gz GPZAMPSBWJEWKM-ZWKOTPCHSA-N 2 1 366.506 0.792 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000938040608 1245814904 /nfs/dbraw/zinc/81/49/04/1245814904.db2.gz RKUPTZUHUDZFAN-QLFBSQMISA-N 2 1 359.474 0.819 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000938182642 1245831770 /nfs/dbraw/zinc/83/17/70/1245831770.db2.gz NNUUTSAJALJGIZ-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000938182642 1245831781 /nfs/dbraw/zinc/83/17/81/1245831781.db2.gz NNUUTSAJALJGIZ-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000939330623 1246037023 /nfs/dbraw/zinc/03/70/23/1246037023.db2.gz ZUEZHOMIPDYQPY-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000939330623 1246037031 /nfs/dbraw/zinc/03/70/31/1246037031.db2.gz ZUEZHOMIPDYQPY-YQFWSFKMSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000940765512 1246380100 /nfs/dbraw/zinc/38/01/00/1246380100.db2.gz TZPOVNVYUVUDNB-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000942276309 1247047184 /nfs/dbraw/zinc/04/71/84/1247047184.db2.gz GGWFEKYBIFRKOS-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000942276309 1247047193 /nfs/dbraw/zinc/04/71/93/1247047193.db2.gz GGWFEKYBIFRKOS-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552817 1247128697 /nfs/dbraw/zinc/12/86/97/1247128697.db2.gz NHTZVBINJPOQTC-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942596033 1247153208 /nfs/dbraw/zinc/15/32/08/1247153208.db2.gz PZRZSOYCBFCUIF-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000942876549 1247208968 /nfs/dbraw/zinc/20/89/68/1247208968.db2.gz KBEHYUAXDGJTEY-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943282586 1247282694 /nfs/dbraw/zinc/28/26/94/1247282694.db2.gz PMPAVDRLZZLLSA-HUUCEWRRSA-N 2 1 363.462 0.018 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000994245617 1250315540 /nfs/dbraw/zinc/31/55/40/1250315540.db2.gz PTJGFFSCTMZCFY-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000994245617 1250315558 /nfs/dbraw/zinc/31/55/58/1250315558.db2.gz PTJGFFSCTMZCFY-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000943708056 1247392186 /nfs/dbraw/zinc/39/21/86/1247392186.db2.gz SIQBYBCKRZXCPH-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)O1 ZINC000943708056 1247392194 /nfs/dbraw/zinc/39/21/94/1247392194.db2.gz SIQBYBCKRZXCPH-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943797608 1247416450 /nfs/dbraw/zinc/41/64/50/1247416450.db2.gz VXDUZKUKIZBJEU-USXIJHARSA-N 2 1 371.441 0.242 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000944075703 1247464692 /nfs/dbraw/zinc/46/46/92/1247464692.db2.gz GJPWGZWBGYRSAB-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000944075703 1247464696 /nfs/dbraw/zinc/46/46/96/1247464696.db2.gz GJPWGZWBGYRSAB-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000944107132 1247479822 /nfs/dbraw/zinc/47/98/22/1247479822.db2.gz ZCQPBGADOKPIMM-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000944107132 1247479823 /nfs/dbraw/zinc/47/98/23/1247479823.db2.gz ZCQPBGADOKPIMM-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595010 1247907478 /nfs/dbraw/zinc/90/74/78/1247907478.db2.gz DSSNJAQBBKWKBB-MDMSPXHWSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595010 1247907484 /nfs/dbraw/zinc/90/74/84/1247907484.db2.gz DSSNJAQBBKWKBB-MDMSPXHWSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595010 1247907490 /nfs/dbraw/zinc/90/74/90/1247907490.db2.gz DSSNJAQBBKWKBB-MDMSPXHWSA-N 2 1 364.534 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]3CC2)CC[N@H+]1C ZINC000946597807 1247910910 /nfs/dbraw/zinc/91/09/10/1247910910.db2.gz LFUPANYLVRHJSU-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]3CC2)CC[NH+]1C ZINC000946597807 1247910919 /nfs/dbraw/zinc/91/09/19/1247910919.db2.gz LFUPANYLVRHJSU-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]3CC2)CC[NH+]1C ZINC000946597807 1247910928 /nfs/dbraw/zinc/91/09/28/1247910928.db2.gz LFUPANYLVRHJSU-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642852 1247933116 /nfs/dbraw/zinc/93/31/16/1247933116.db2.gz RVBSDGKXHXMOCH-UHDSXZAQSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642852 1247933121 /nfs/dbraw/zinc/93/31/21/1247933121.db2.gz RVBSDGKXHXMOCH-UHDSXZAQSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642852 1247933134 /nfs/dbraw/zinc/93/31/34/1247933134.db2.gz RVBSDGKXHXMOCH-UHDSXZAQSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642852 1247933139 /nfs/dbraw/zinc/93/31/39/1247933139.db2.gz RVBSDGKXHXMOCH-UHDSXZAQSA-N 2 1 366.506 0.140 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCc5[nH+]ccn54)C[C@H]32)CC[N@@H+]1C ZINC000976601618 1248278376 /nfs/dbraw/zinc/27/83/76/1248278376.db2.gz MWYZWUKZEJBSFY-UDOHHAEJSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCc5[nH+]ccn54)C[C@H]32)CC[N@H+]1C ZINC000976601618 1248278383 /nfs/dbraw/zinc/27/83/83/1248278383.db2.gz MWYZWUKZEJBSFY-UDOHHAEJSA-N 2 1 371.485 0.674 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC000976611025 1248291946 /nfs/dbraw/zinc/29/19/46/1248291946.db2.gz SJRQKOXIXMCMBD-DWMDIXPDSA-N 2 1 364.534 0.876 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000976872456 1248437667 /nfs/dbraw/zinc/43/76/67/1248437667.db2.gz ZLQXTERDZOHBAW-FIDHJVLJSA-N 2 1 360.502 0.386 20 0 FCADMP Cn1cncc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000976921656 1248468939 /nfs/dbraw/zinc/46/89/39/1248468939.db2.gz MXTJVYXDMRUAGB-ZACQAIPSSA-N 2 1 361.490 0.991 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000994846539 1250707386 /nfs/dbraw/zinc/70/73/86/1250707386.db2.gz DYMLZIPHBFDHKW-RHSMWYFYSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000994846539 1250707398 /nfs/dbraw/zinc/70/73/98/1250707398.db2.gz DYMLZIPHBFDHKW-RHSMWYFYSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994848889 1250712196 /nfs/dbraw/zinc/71/21/96/1250712196.db2.gz YGHSWZUYWXFVLA-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994848889 1250712205 /nfs/dbraw/zinc/71/22/05/1250712205.db2.gz YGHSWZUYWXFVLA-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994848889 1250712221 /nfs/dbraw/zinc/71/22/21/1250712221.db2.gz YGHSWZUYWXFVLA-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994848889 1250712228 /nfs/dbraw/zinc/71/22/28/1250712228.db2.gz YGHSWZUYWXFVLA-HLLBOEOZSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995825467 1250994397 /nfs/dbraw/zinc/99/43/97/1250994397.db2.gz NELBEZZFRDOITB-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996720572 1251424920 /nfs/dbraw/zinc/42/49/20/1251424920.db2.gz VKAZEEQYSSRXJH-SJLPKXTDSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996720572 1251424927 /nfs/dbraw/zinc/42/49/27/1251424927.db2.gz VKAZEEQYSSRXJH-SJLPKXTDSA-N 2 1 363.506 0.800 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001328605528 1265586210 /nfs/dbraw/zinc/58/62/10/1265586210.db2.gz UDBMZKKTBBDVML-INIZCTEOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC000997793062 1251709551 /nfs/dbraw/zinc/70/95/51/1251709551.db2.gz LBEIKHIFGORCKZ-DJIMGWMZSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000997861657 1251727531 /nfs/dbraw/zinc/72/75/31/1251727531.db2.gz ZLNVNJJFDBTCNF-IIAWOOMASA-N 2 1 364.494 0.423 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC000997861657 1251727536 /nfs/dbraw/zinc/72/75/36/1251727536.db2.gz ZLNVNJJFDBTCNF-IIAWOOMASA-N 2 1 364.494 0.423 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997869753 1251730436 /nfs/dbraw/zinc/73/04/36/1251730436.db2.gz AFSYYBHHWKPLJD-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)CC[N@H+]1C ZINC000997884025 1251733924 /nfs/dbraw/zinc/73/39/24/1251733924.db2.gz AIDQEUNRTITLFL-XABWRGDLSA-N 2 1 362.518 0.917 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001328732717 1265604242 /nfs/dbraw/zinc/60/42/42/1265604242.db2.gz MBDUBTNJYZELLN-SJLPKXTDSA-N 2 1 360.502 0.987 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC000998466974 1251889837 /nfs/dbraw/zinc/88/98/37/1251889837.db2.gz PXLSTSPKPGIRCH-PMPSAXMXSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC000998630386 1251934185 /nfs/dbraw/zinc/93/41/85/1251934185.db2.gz KRPSREJRKYNTNW-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC000998630386 1251934190 /nfs/dbraw/zinc/93/41/90/1251934190.db2.gz KRPSREJRKYNTNW-YVSFHVDLSA-N 2 1 359.474 0.781 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]12CC[N@@H+](C1)CCC2)C12CC[NH+](CC1)C2 ZINC000998660695 1251945509 /nfs/dbraw/zinc/94/55/09/1251945509.db2.gz WWNTZDVMLSCAOS-JJDSTIRJSA-N 2 1 372.513 0.816 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC000998794716 1251968920 /nfs/dbraw/zinc/96/89/20/1251968920.db2.gz FTYMFNMFFWNODI-XSCHDIRWSA-N 2 1 362.478 0.228 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999197654 1252069437 /nfs/dbraw/zinc/06/94/37/1252069437.db2.gz YAGIWMVXTCXNTA-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999197654 1252069447 /nfs/dbraw/zinc/06/94/47/1252069447.db2.gz YAGIWMVXTCXNTA-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999209208 1252070342 /nfs/dbraw/zinc/07/03/42/1252070342.db2.gz OXJLSZXUXCTRFT-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999497879 1252127374 /nfs/dbraw/zinc/12/73/74/1252127374.db2.gz RSWIDRVUIIDOCQ-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999497879 1252127379 /nfs/dbraw/zinc/12/73/79/1252127379.db2.gz RSWIDRVUIIDOCQ-KZNAEPCWSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)C2 ZINC000999891630 1252223426 /nfs/dbraw/zinc/22/34/26/1252223426.db2.gz NYPJWHMOBLSWKB-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)C2 ZINC000999891630 1252223437 /nfs/dbraw/zinc/22/34/37/1252223437.db2.gz NYPJWHMOBLSWKB-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001002240043 1252484319 /nfs/dbraw/zinc/48/43/19/1252484319.db2.gz VOEQDRSFCLDRTP-RHSMWYFYSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001002261122 1252494783 /nfs/dbraw/zinc/49/47/83/1252494783.db2.gz VVXQJESGHKXMPL-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001002261122 1252494787 /nfs/dbraw/zinc/49/47/87/1252494787.db2.gz VVXQJESGHKXMPL-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001002859789 1252712981 /nfs/dbraw/zinc/71/29/81/1252712981.db2.gz GEOGPGLLUPVXSG-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001002859789 1252712989 /nfs/dbraw/zinc/71/29/89/1252712989.db2.gz GEOGPGLLUPVXSG-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001003149193 1252791595 /nfs/dbraw/zinc/79/15/95/1252791595.db2.gz DLRSSURRTWSCAO-NHMWIVBRSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001003149193 1252791602 /nfs/dbraw/zinc/79/16/02/1252791602.db2.gz DLRSSURRTWSCAO-NHMWIVBRSA-N 2 1 359.474 0.780 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2nc(C)nc2C)CC[N@@H+]1C ZINC001032412115 1253919050 /nfs/dbraw/zinc/91/90/50/1253919050.db2.gz JEMMGKCNTFWBGF-XLAORIBOSA-N 2 1 360.506 0.910 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2nc(C)nc2C)CC[N@H+]1C ZINC001032412115 1253919059 /nfs/dbraw/zinc/91/90/59/1253919059.db2.gz JEMMGKCNTFWBGF-XLAORIBOSA-N 2 1 360.506 0.910 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2nc(C)nc2C)CC[NH+]1C ZINC001032412115 1253919063 /nfs/dbraw/zinc/91/90/63/1253919063.db2.gz JEMMGKCNTFWBGF-XLAORIBOSA-N 2 1 360.506 0.910 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2nc(C)nc2C)CC[NH+]1C ZINC001032412115 1253919071 /nfs/dbraw/zinc/91/90/71/1253919071.db2.gz JEMMGKCNTFWBGF-XLAORIBOSA-N 2 1 360.506 0.910 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)CC1 ZINC001034209182 1253978474 /nfs/dbraw/zinc/97/84/74/1253978474.db2.gz JDGAYRZPCSFYFF-JZXOWHBKSA-N 2 1 366.506 0.189 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)CC1 ZINC001034209182 1253978495 /nfs/dbraw/zinc/97/84/95/1253978495.db2.gz JDGAYRZPCSFYFF-JZXOWHBKSA-N 2 1 366.506 0.189 20 0 FCADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC001034674127 1253999159 /nfs/dbraw/zinc/99/91/59/1253999159.db2.gz FBQRDFSWRJFBIW-XLWJZTARSA-N 2 1 365.482 0.007 20 0 FCADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nnnn1C ZINC001034674127 1253999164 /nfs/dbraw/zinc/99/91/64/1253999164.db2.gz FBQRDFSWRJFBIW-XLWJZTARSA-N 2 1 365.482 0.007 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001519902862 1265795174 /nfs/dbraw/zinc/79/51/74/1265795174.db2.gz VJUQWUVTCSXBQA-RDJZCZTQSA-N 2 1 355.527 0.373 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001034939506 1254010065 /nfs/dbraw/zinc/01/00/65/1254010065.db2.gz CYFHKMYHEQHKNX-RBSFLKMASA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001034939506 1254010077 /nfs/dbraw/zinc/01/00/77/1254010077.db2.gz CYFHKMYHEQHKNX-RBSFLKMASA-N 2 1 362.478 0.229 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001061622122 1254195089 /nfs/dbraw/zinc/19/50/89/1254195089.db2.gz MBZWGHDYFQNGAL-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001061622122 1254195093 /nfs/dbraw/zinc/19/50/93/1254195093.db2.gz MBZWGHDYFQNGAL-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001061622122 1254195097 /nfs/dbraw/zinc/19/50/97/1254195097.db2.gz MBZWGHDYFQNGAL-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031429 1265830984 /nfs/dbraw/zinc/83/09/84/1265830984.db2.gz PJEOXESATSALSQ-AEFFLSMTSA-N 2 1 350.507 0.336 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)CCCC[NH+](C)C)CCC2)O1 ZINC001063832455 1254396210 /nfs/dbraw/zinc/39/62/10/1254396210.db2.gz NDQIPLBZYDSZKX-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)CCCC[NH+](C)C)CCC2)O1 ZINC001063832455 1254396219 /nfs/dbraw/zinc/39/62/19/1254396219.db2.gz NDQIPLBZYDSZKX-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550748 1254432460 /nfs/dbraw/zinc/43/24/60/1254432460.db2.gz ZHWQZBZCJVIOSZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550748 1254432465 /nfs/dbraw/zinc/43/24/65/1254432465.db2.gz ZHWQZBZCJVIOSZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550748 1254432468 /nfs/dbraw/zinc/43/24/68/1254432468.db2.gz ZHWQZBZCJVIOSZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)C1 ZINC001064550748 1254432484 /nfs/dbraw/zinc/43/24/84/1254432484.db2.gz ZHWQZBZCJVIOSZ-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065206580 1254488891 /nfs/dbraw/zinc/48/88/91/1254488891.db2.gz MASXEUWAYKNLAC-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065206580 1254488895 /nfs/dbraw/zinc/48/88/95/1254488895.db2.gz MASXEUWAYKNLAC-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065206580 1254488903 /nfs/dbraw/zinc/48/89/03/1254488903.db2.gz MASXEUWAYKNLAC-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065207982 1254490463 /nfs/dbraw/zinc/49/04/63/1254490463.db2.gz YFSBKMBPCLOPQG-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207982 1254490471 /nfs/dbraw/zinc/49/04/71/1254490471.db2.gz YFSBKMBPCLOPQG-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065207982 1254490476 /nfs/dbraw/zinc/49/04/76/1254490476.db2.gz YFSBKMBPCLOPQG-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CCO2)CC[N@H+]1C ZINC001065537325 1254546342 /nfs/dbraw/zinc/54/63/42/1254546342.db2.gz NITKOVKZTYAIEX-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680366 1254866266 /nfs/dbraw/zinc/86/62/66/1254866266.db2.gz CDJFRUZAYHDSMD-ATZDWAIDSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680366 1254866273 /nfs/dbraw/zinc/86/62/73/1254866273.db2.gz CDJFRUZAYHDSMD-ATZDWAIDSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001077680366 1254866281 /nfs/dbraw/zinc/86/62/81/1254866281.db2.gz CDJFRUZAYHDSMD-ATZDWAIDSA-N 2 1 361.486 0.741 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CCC1 ZINC001077765489 1254960993 /nfs/dbraw/zinc/96/09/93/1254960993.db2.gz PWFFGTBGKDESBL-BRWVUGGUSA-N 2 1 364.490 0.983 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CCC1 ZINC001077765489 1254960999 /nfs/dbraw/zinc/96/09/99/1254960999.db2.gz PWFFGTBGKDESBL-BRWVUGGUSA-N 2 1 364.490 0.983 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077838531 1255039134 /nfs/dbraw/zinc/03/91/34/1255039134.db2.gz AOEKSHRYTNDPLH-BHIYHBOVSA-N 2 1 361.486 0.950 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005791 1255161132 /nfs/dbraw/zinc/16/11/32/1255161132.db2.gz INULSOUOJGFJMB-KFKAGJAMSA-N 2 1 359.470 0.720 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005791 1255161134 /nfs/dbraw/zinc/16/11/34/1255161134.db2.gz INULSOUOJGFJMB-KFKAGJAMSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005791 1255161138 /nfs/dbraw/zinc/16/11/38/1255161138.db2.gz INULSOUOJGFJMB-KFKAGJAMSA-N 2 1 359.470 0.720 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001078005791 1255161141 /nfs/dbraw/zinc/16/11/41/1255161141.db2.gz INULSOUOJGFJMB-KFKAGJAMSA-N 2 1 359.470 0.720 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008527 1255164428 /nfs/dbraw/zinc/16/44/28/1255164428.db2.gz JIMAQUFZCLGPJS-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008527 1255164433 /nfs/dbraw/zinc/16/44/33/1255164433.db2.gz JIMAQUFZCLGPJS-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008527 1255164437 /nfs/dbraw/zinc/16/44/37/1255164437.db2.gz JIMAQUFZCLGPJS-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008527 1255164440 /nfs/dbraw/zinc/16/44/40/1255164440.db2.gz JIMAQUFZCLGPJS-ZTFGCOKTSA-N 2 1 365.449 0.708 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179899 1255293538 /nfs/dbraw/zinc/29/35/38/1255293538.db2.gz CLMPIJIBTPKXIJ-IPMKNSEASA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179899 1255293543 /nfs/dbraw/zinc/29/35/43/1255293543.db2.gz CLMPIJIBTPKXIJ-IPMKNSEASA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179898 1255293708 /nfs/dbraw/zinc/29/37/08/1255293708.db2.gz CLMPIJIBTPKXIJ-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179898 1255293711 /nfs/dbraw/zinc/29/37/11/1255293711.db2.gz CLMPIJIBTPKXIJ-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078209321 1255323590 /nfs/dbraw/zinc/32/35/90/1255323590.db2.gz DPBDNZLDOUNZRY-GUDVDZBRSA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209321 1255323599 /nfs/dbraw/zinc/32/35/99/1255323599.db2.gz DPBDNZLDOUNZRY-GUDVDZBRSA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209321 1255323608 /nfs/dbraw/zinc/32/36/08/1255323608.db2.gz DPBDNZLDOUNZRY-GUDVDZBRSA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209321 1255323616 /nfs/dbraw/zinc/32/36/16/1255323616.db2.gz DPBDNZLDOUNZRY-GUDVDZBRSA-N 2 1 361.486 0.631 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)c1 ZINC001078224567 1255336132 /nfs/dbraw/zinc/33/61/32/1255336132.db2.gz OHOWREUGESYNEL-ATZDWAIDSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001078230637 1255344406 /nfs/dbraw/zinc/34/44/06/1255344406.db2.gz KRZCWSJNLANLFL-ATZDWAIDSA-N 2 1 361.486 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001078403865 1255407025 /nfs/dbraw/zinc/40/70/25/1255407025.db2.gz KSONDLJHTYTJDB-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001078403865 1255407031 /nfs/dbraw/zinc/40/70/31/1255407031.db2.gz KSONDLJHTYTJDB-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405492 1255408781 /nfs/dbraw/zinc/40/87/81/1255408781.db2.gz OXKIDTAXSRQVIF-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405754 1255409244 /nfs/dbraw/zinc/40/92/44/1255409244.db2.gz XDSYVEIVDZPZAA-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405754 1255409248 /nfs/dbraw/zinc/40/92/48/1255409248.db2.gz XDSYVEIVDZPZAA-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079710235 1255581960 /nfs/dbraw/zinc/58/19/60/1255581960.db2.gz ANMUQSDGMZWKNE-JEBQAFNWSA-N 2 1 360.506 0.673 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079849785 1255632323 /nfs/dbraw/zinc/63/23/23/1255632323.db2.gz ZDTPUFLBTUDDJH-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079849785 1255632326 /nfs/dbraw/zinc/63/23/26/1255632326.db2.gz ZDTPUFLBTUDDJH-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079849785 1255632330 /nfs/dbraw/zinc/63/23/30/1255632330.db2.gz ZDTPUFLBTUDDJH-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950224 1255676661 /nfs/dbraw/zinc/67/66/61/1255676661.db2.gz IDQCGLXEFXEFRO-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950224 1255676665 /nfs/dbraw/zinc/67/66/65/1255676665.db2.gz IDQCGLXEFXEFRO-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950224 1255676671 /nfs/dbraw/zinc/67/66/71/1255676671.db2.gz IDQCGLXEFXEFRO-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950224 1255676678 /nfs/dbraw/zinc/67/66/78/1255676678.db2.gz IDQCGLXEFXEFRO-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037435 1255720224 /nfs/dbraw/zinc/72/02/24/1255720224.db2.gz KXUQSOFWFVGUQX-BZUAXINKSA-N 2 1 358.490 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080051221 1255725368 /nfs/dbraw/zinc/72/53/68/1255725368.db2.gz PGEUGPWOEAIXBG-FHLIZLRMSA-N 2 1 368.441 0.642 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161360 1255766619 /nfs/dbraw/zinc/76/66/19/1255766619.db2.gz YNCVZBRFVXAKAZ-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161360 1255766624 /nfs/dbraw/zinc/76/66/24/1255766624.db2.gz YNCVZBRFVXAKAZ-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161360 1255766629 /nfs/dbraw/zinc/76/66/29/1255766629.db2.gz YNCVZBRFVXAKAZ-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255440 1255809688 /nfs/dbraw/zinc/80/96/88/1255809688.db2.gz YEUIWRBUVIMGPX-BRWVUGGUSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377218 1255867394 /nfs/dbraw/zinc/86/73/94/1255867394.db2.gz GUNFMCVPFXGGGO-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377218 1255867399 /nfs/dbraw/zinc/86/73/99/1255867399.db2.gz GUNFMCVPFXGGGO-RHSMWYFYSA-N 2 1 366.506 0.060 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080561427 1255929729 /nfs/dbraw/zinc/92/97/29/1255929729.db2.gz UHJRGYZFXXOCMZ-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080561427 1255929733 /nfs/dbraw/zinc/92/97/33/1255929733.db2.gz UHJRGYZFXXOCMZ-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080561427 1255929737 /nfs/dbraw/zinc/92/97/37/1255929737.db2.gz UHJRGYZFXXOCMZ-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080561427 1255929743 /nfs/dbraw/zinc/92/97/43/1255929743.db2.gz UHJRGYZFXXOCMZ-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)on1 ZINC001080593394 1255946653 /nfs/dbraw/zinc/94/66/53/1255946653.db2.gz ZQPZTGDTXXXCCZ-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)on1 ZINC001080593394 1255946658 /nfs/dbraw/zinc/94/66/58/1255946658.db2.gz ZQPZTGDTXXXCCZ-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080700189 1255995036 /nfs/dbraw/zinc/99/50/36/1255995036.db2.gz QBMDMYCOJLMLFE-FVQBIDKESA-N 2 1 364.490 0.349 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080700189 1255995043 /nfs/dbraw/zinc/99/50/43/1255995043.db2.gz QBMDMYCOJLMLFE-FVQBIDKESA-N 2 1 364.490 0.349 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001080878053 1256071433 /nfs/dbraw/zinc/07/14/33/1256071433.db2.gz XXLQTSSGHFAWRN-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080878053 1256071437 /nfs/dbraw/zinc/07/14/37/1256071437.db2.gz XXLQTSSGHFAWRN-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080878053 1256071440 /nfs/dbraw/zinc/07/14/40/1256071440.db2.gz XXLQTSSGHFAWRN-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001080903731 1256082880 /nfs/dbraw/zinc/08/28/80/1256082880.db2.gz DMOJQKLXLKNUGU-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935142 1256103117 /nfs/dbraw/zinc/10/31/17/1256103117.db2.gz LMGOWURBAQYZHW-IVMMDQJWSA-N 2 1 359.474 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935142 1256103124 /nfs/dbraw/zinc/10/31/24/1256103124.db2.gz LMGOWURBAQYZHW-IVMMDQJWSA-N 2 1 359.474 0.948 20 0 FCADMP C[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935142 1256103130 /nfs/dbraw/zinc/10/31/30/1256103130.db2.gz LMGOWURBAQYZHW-IVMMDQJWSA-N 2 1 359.474 0.948 20 0 FCADMP C[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935142 1256103136 /nfs/dbraw/zinc/10/31/36/1256103136.db2.gz LMGOWURBAQYZHW-IVMMDQJWSA-N 2 1 359.474 0.948 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081146772 1256192426 /nfs/dbraw/zinc/19/24/26/1256192426.db2.gz OQFFUSZPLWSNRP-OKZBNKHCSA-N 2 1 367.453 0.664 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001081197056 1256203291 /nfs/dbraw/zinc/20/32/91/1256203291.db2.gz LWHNOQUSZGOEBG-NZSAHSFTSA-N 2 1 361.486 0.674 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2c2ccccc2)nn1 ZINC001081226809 1256211345 /nfs/dbraw/zinc/21/13/45/1256211345.db2.gz JIILLSATRPBDPE-RBUKOAKNSA-N 2 1 368.485 0.995 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670410 1256328346 /nfs/dbraw/zinc/32/83/46/1256328346.db2.gz RHQUNLZKITZGHJ-KZNAEPCWSA-N 2 1 361.490 0.120 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694329 1256335973 /nfs/dbraw/zinc/33/59/73/1256335973.db2.gz XFDZBGNPPJAUFN-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694329 1256335978 /nfs/dbraw/zinc/33/59/78/1256335978.db2.gz XFDZBGNPPJAUFN-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694329 1256335979 /nfs/dbraw/zinc/33/59/79/1256335979.db2.gz XFDZBGNPPJAUFN-UTRMSSBJSA-N 2 1 361.486 0.835 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001081767100 1256359055 /nfs/dbraw/zinc/35/90/55/1256359055.db2.gz QYPIAQUGUVMHJA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001081767100 1256359062 /nfs/dbraw/zinc/35/90/62/1256359062.db2.gz QYPIAQUGUVMHJA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001081767100 1256359069 /nfs/dbraw/zinc/35/90/69/1256359069.db2.gz QYPIAQUGUVMHJA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001081767100 1256359078 /nfs/dbraw/zinc/35/90/78/1256359078.db2.gz QYPIAQUGUVMHJA-KZNAEPCWSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066188 1256518313 /nfs/dbraw/zinc/51/83/13/1256518313.db2.gz DMFZKTHTCIGAMT-OXXUSNJHSA-N 2 1 363.506 0.774 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066188 1256518315 /nfs/dbraw/zinc/51/83/15/1256518315.db2.gz DMFZKTHTCIGAMT-OXXUSNJHSA-N 2 1 363.506 0.774 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066188 1256518318 /nfs/dbraw/zinc/51/83/18/1256518318.db2.gz DMFZKTHTCIGAMT-OXXUSNJHSA-N 2 1 363.506 0.774 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066188 1256518325 /nfs/dbraw/zinc/51/83/25/1256518325.db2.gz DMFZKTHTCIGAMT-OXXUSNJHSA-N 2 1 363.506 0.774 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133456 1256550703 /nfs/dbraw/zinc/55/07/03/1256550703.db2.gz CHNNLWDPALWHEW-USXIJHARSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133456 1256550707 /nfs/dbraw/zinc/55/07/07/1256550707.db2.gz CHNNLWDPALWHEW-USXIJHARSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133456 1256550712 /nfs/dbraw/zinc/55/07/12/1256550712.db2.gz CHNNLWDPALWHEW-USXIJHARSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133456 1256550714 /nfs/dbraw/zinc/55/07/14/1256550714.db2.gz CHNNLWDPALWHEW-USXIJHARSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135019 1256552719 /nfs/dbraw/zinc/55/27/19/1256552719.db2.gz LXEJUVHZFKHJBP-BMGDILEWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135019 1256552726 /nfs/dbraw/zinc/55/27/26/1256552726.db2.gz LXEJUVHZFKHJBP-BMGDILEWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135019 1256552734 /nfs/dbraw/zinc/55/27/34/1256552734.db2.gz LXEJUVHZFKHJBP-BMGDILEWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135019 1256552738 /nfs/dbraw/zinc/55/27/38/1256552738.db2.gz LXEJUVHZFKHJBP-BMGDILEWSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001082159911 1256568739 /nfs/dbraw/zinc/56/87/39/1256568739.db2.gz SEYUCCXSGFEFEB-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001082159911 1256568744 /nfs/dbraw/zinc/56/87/44/1256568744.db2.gz SEYUCCXSGFEFEB-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001082159911 1256568748 /nfs/dbraw/zinc/56/87/48/1256568748.db2.gz SEYUCCXSGFEFEB-FCGDIQPGSA-N 2 1 361.486 0.530 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202398 1256588434 /nfs/dbraw/zinc/58/84/34/1256588434.db2.gz WHPWEIVCNJNAHO-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202398 1256588437 /nfs/dbraw/zinc/58/84/37/1256588437.db2.gz WHPWEIVCNJNAHO-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082458208 1256770336 /nfs/dbraw/zinc/77/03/36/1256770336.db2.gz CERYEFOQUIUEJL-KBRIMQKVSA-N 2 1 360.458 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082458208 1256770342 /nfs/dbraw/zinc/77/03/42/1256770342.db2.gz CERYEFOQUIUEJL-KBRIMQKVSA-N 2 1 360.458 0.053 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)cc1=O ZINC001082520108 1256803196 /nfs/dbraw/zinc/80/31/96/1256803196.db2.gz AQGJZVCTZLHVKI-RRCSTGOVSA-N 2 1 363.458 0.925 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559734 1256856147 /nfs/dbraw/zinc/85/61/47/1256856147.db2.gz NTVMZQDDZAOSKQ-FRFSOERESA-N 2 1 363.510 0.750 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558889 1256858673 /nfs/dbraw/zinc/85/86/73/1256858673.db2.gz KSSWMYUGFMUVNQ-KBRIMQKVSA-N 2 1 360.462 0.746 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001082596558 1256907952 /nfs/dbraw/zinc/90/79/52/1256907952.db2.gz PKXHHYDBHKBRAY-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001082596558 1256907964 /nfs/dbraw/zinc/90/79/64/1256907964.db2.gz PKXHHYDBHKBRAY-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082608970 1256919351 /nfs/dbraw/zinc/91/93/51/1256919351.db2.gz KEANCLQBBNXVRA-CZUORRHYSA-N 2 1 363.462 0.409 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nnnn3C)C2)ccc2c[nH+]cn21 ZINC001082610066 1256920581 /nfs/dbraw/zinc/92/05/81/1256920581.db2.gz ZVFAPOASDHJWLN-XHBSWPGZSA-N 2 1 368.445 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082647767 1256952633 /nfs/dbraw/zinc/95/26/33/1256952633.db2.gz FYCJBLXMSPJLQI-VNQPRFMTSA-N 2 1 359.474 0.477 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653538 1256956811 /nfs/dbraw/zinc/95/68/11/1256956811.db2.gz PTHHZMJCKDCCIN-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082653590 1256957623 /nfs/dbraw/zinc/95/76/23/1256957623.db2.gz SHKPSCBXSFXAQE-PHYFXXPTSA-N 2 1 357.458 0.276 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082653590 1256957630 /nfs/dbraw/zinc/95/76/30/1256957630.db2.gz SHKPSCBXSFXAQE-PHYFXXPTSA-N 2 1 357.458 0.276 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653354 1256957652 /nfs/dbraw/zinc/95/76/52/1256957652.db2.gz GWGIFPNBZLUUSL-YSISEGQHSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653511 1256957764 /nfs/dbraw/zinc/95/77/64/1256957764.db2.gz ONZHDHRDHSOOMU-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP NC(=O)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670813 1266079797 /nfs/dbraw/zinc/07/97/97/1266079797.db2.gz BDEYCLOTVSLDGC-ICSRJNTNSA-N 2 1 361.486 0.884 20 0 FCADMP NC(=O)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC001330670813 1266079804 /nfs/dbraw/zinc/07/98/04/1266079804.db2.gz BDEYCLOTVSLDGC-ICSRJNTNSA-N 2 1 361.486 0.884 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)ncn1 ZINC001082703227 1256995338 /nfs/dbraw/zinc/99/53/38/1256995338.db2.gz FJTQYKWFCJXVEF-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)ncn1 ZINC001082703227 1256995343 /nfs/dbraw/zinc/99/53/43/1256995343.db2.gz FJTQYKWFCJXVEF-OLMNPRSZSA-N 2 1 361.490 0.831 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082743097 1257022440 /nfs/dbraw/zinc/02/24/40/1257022440.db2.gz HOGSGEUYBFKUSU-RKVPGOIHSA-N 2 1 366.485 0.927 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)C2 ZINC001082742822 1257022568 /nfs/dbraw/zinc/02/25/68/1257022568.db2.gz SSRQNEFMMRUEKR-FRFSOERESA-N 2 1 359.474 0.423 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082798305 1257058093 /nfs/dbraw/zinc/05/80/93/1257058093.db2.gz MDGFNVSTFYKUTP-GDBMZVCRSA-N 2 1 357.462 0.485 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001082822222 1257081610 /nfs/dbraw/zinc/08/16/10/1257081610.db2.gz ROBIAYVIUYOELQ-HZPDHXFCSA-N 2 1 363.510 0.752 20 0 FCADMP NC(=O)C1CCN(C(=O)CN[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC001330750498 1266088840 /nfs/dbraw/zinc/08/88/40/1266088840.db2.gz WESHSCKADQBNED-KRWDZBQOSA-N 2 1 355.442 0.938 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861510 1257112740 /nfs/dbraw/zinc/11/27/40/1257112740.db2.gz DKMGGNVWPUBADC-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082861743 1257113400 /nfs/dbraw/zinc/11/34/00/1257113400.db2.gz NCZVIQGNCNLONW-RBSFLKMASA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082861743 1257113404 /nfs/dbraw/zinc/11/34/04/1257113404.db2.gz NCZVIQGNCNLONW-RBSFLKMASA-N 2 1 362.478 0.087 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082920166 1257145346 /nfs/dbraw/zinc/14/53/46/1257145346.db2.gz SYKZZUQLHHTSBS-FRFSOERESA-N 2 1 356.474 0.857 20 0 FCADMP COc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c(C)n1 ZINC001082922479 1257146898 /nfs/dbraw/zinc/14/68/98/1257146898.db2.gz GYVKXEPSFWWYNT-MLGOLLRUSA-N 2 1 358.446 0.935 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)C1 ZINC001082933669 1257155257 /nfs/dbraw/zinc/15/52/57/1257155257.db2.gz DSCGACJCWNYBBX-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)C1 ZINC001082933669 1257155263 /nfs/dbraw/zinc/15/52/63/1257155263.db2.gz DSCGACJCWNYBBX-OIISXLGYSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082944390 1257160333 /nfs/dbraw/zinc/16/03/33/1257160333.db2.gz SCDXDBVPHQTUEP-SZVBFZGTSA-N 2 1 358.486 0.958 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083083695 1257284505 /nfs/dbraw/zinc/28/45/05/1257284505.db2.gz GZQNADYUMLPYSJ-FGTMMUONSA-N 2 1 359.474 0.137 20 0 FCADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083083695 1257284509 /nfs/dbraw/zinc/28/45/09/1257284509.db2.gz GZQNADYUMLPYSJ-FGTMMUONSA-N 2 1 359.474 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)CC[N@@H+]1C ZINC001083085981 1257287672 /nfs/dbraw/zinc/28/76/72/1257287672.db2.gz XGYZWBWICROUDA-GEALJGNFSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)CC[N@H+]1C ZINC001083085981 1257287679 /nfs/dbraw/zinc/28/76/79/1257287679.db2.gz XGYZWBWICROUDA-GEALJGNFSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@@H]32)CC[NH+]1C ZINC001083085981 1257287683 /nfs/dbraw/zinc/28/76/83/1257287683.db2.gz XGYZWBWICROUDA-GEALJGNFSA-N 2 1 373.497 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@@H]32)CC[NH+]1C ZINC001083085981 1257287691 /nfs/dbraw/zinc/28/76/91/1257287691.db2.gz XGYZWBWICROUDA-GEALJGNFSA-N 2 1 373.497 0.931 20 0 FCADMP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4ccc5c[nH+]cn5c4)[C@H]3C2)C1=O ZINC001083144773 1257399288 /nfs/dbraw/zinc/39/92/88/1257399288.db2.gz YLNGGWDGLJZDFC-YESZJQIVSA-N 2 1 369.425 0.090 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)c4ccc5c[nH+]cn5c4)[C@H]3C2)C1=O ZINC001083144773 1257399292 /nfs/dbraw/zinc/39/92/92/1257399292.db2.gz YLNGGWDGLJZDFC-YESZJQIVSA-N 2 1 369.425 0.090 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083144381 1257400005 /nfs/dbraw/zinc/40/00/05/1257400005.db2.gz DNEDOTSMGOYENQ-FHLIZLRMSA-N 2 1 356.426 0.896 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001083148702 1257403612 /nfs/dbraw/zinc/40/36/12/1257403612.db2.gz BAGFBOGFYSMAFF-VVJOJPPRSA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083148702 1257403614 /nfs/dbraw/zinc/40/36/14/1257403614.db2.gz BAGFBOGFYSMAFF-VVJOJPPRSA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083148702 1257403616 /nfs/dbraw/zinc/40/36/16/1257403616.db2.gz BAGFBOGFYSMAFF-VVJOJPPRSA-N 2 1 361.486 0.561 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC(F)(F)C3)C[C@@H]1O)C2 ZINC001083780620 1257523577 /nfs/dbraw/zinc/52/35/77/1257523577.db2.gz DYDRFDCQGZTAQU-BMFZPTHFSA-N 2 1 368.428 0.961 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC(F)(F)C3)C[C@@H]1O)C2 ZINC001083780620 1257523583 /nfs/dbraw/zinc/52/35/83/1257523583.db2.gz DYDRFDCQGZTAQU-BMFZPTHFSA-N 2 1 368.428 0.961 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833581 1257587271 /nfs/dbraw/zinc/58/72/71/1257587271.db2.gz JZIPTJFWXWBFSV-MSOLQXFVSA-N 2 1 363.506 0.339 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083864164 1257626753 /nfs/dbraw/zinc/62/67/53/1257626753.db2.gz AOEKSHRYTNDPLH-QRQLOZEOSA-N 2 1 361.486 0.950 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896077 1257671127 /nfs/dbraw/zinc/67/11/27/1257671127.db2.gz UNWWYRCESJWRNN-XKQJLSEDSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896077 1257671130 /nfs/dbraw/zinc/67/11/30/1257671130.db2.gz UNWWYRCESJWRNN-XKQJLSEDSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936929 1257721557 /nfs/dbraw/zinc/72/15/57/1257721557.db2.gz CMGQISWMDVFRRI-QRVBRYPASA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937299 1257722853 /nfs/dbraw/zinc/72/28/53/1257722853.db2.gz WNCNXVHGDFHQFR-MOPGFXCFSA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958616 1257747996 /nfs/dbraw/zinc/74/79/96/1257747996.db2.gz OACIYEADAFGATO-MSOLQXFVSA-N 2 1 366.465 0.992 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001521557231 1266139427 /nfs/dbraw/zinc/13/94/27/1266139427.db2.gz ZKPQAALTQDQLGU-BXUZGUMPSA-N 2 1 372.263 0.952 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053894 1257864342 /nfs/dbraw/zinc/86/43/42/1257864342.db2.gz OREBACFFXITPFH-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053894 1257864351 /nfs/dbraw/zinc/86/43/51/1257864351.db2.gz OREBACFFXITPFH-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053894 1257864359 /nfs/dbraw/zinc/86/43/59/1257864359.db2.gz OREBACFFXITPFH-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053894 1257864368 /nfs/dbraw/zinc/86/43/68/1257864368.db2.gz OREBACFFXITPFH-QGTPRVQTSA-N 2 1 363.458 0.187 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054079 1257864504 /nfs/dbraw/zinc/86/45/04/1257864504.db2.gz VSXABJUPTAJLRY-IPELMVKDSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054079 1257864516 /nfs/dbraw/zinc/86/45/16/1257864516.db2.gz VSXABJUPTAJLRY-IPELMVKDSA-N 2 1 359.470 0.372 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)C1 ZINC001084054079 1257864524 /nfs/dbraw/zinc/86/45/24/1257864524.db2.gz VSXABJUPTAJLRY-IPELMVKDSA-N 2 1 359.470 0.372 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053713 1257865434 /nfs/dbraw/zinc/86/54/34/1257865434.db2.gz IEGLDMZWCZWIJL-JQHSSLGASA-N 2 1 359.470 0.841 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053713 1257865442 /nfs/dbraw/zinc/86/54/42/1257865442.db2.gz IEGLDMZWCZWIJL-JQHSSLGASA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053713 1257865451 /nfs/dbraw/zinc/86/54/51/1257865451.db2.gz IEGLDMZWCZWIJL-JQHSSLGASA-N 2 1 359.470 0.841 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)C[C@@H]2O)C1 ZINC001084053713 1257865457 /nfs/dbraw/zinc/86/54/57/1257865457.db2.gz IEGLDMZWCZWIJL-JQHSSLGASA-N 2 1 359.470 0.841 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053593 1257866690 /nfs/dbraw/zinc/86/66/90/1257866690.db2.gz CVYVIBZFSMGYRV-OAGGEKHMSA-N 2 1 361.442 0.071 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053593 1257866699 /nfs/dbraw/zinc/86/66/99/1257866699.db2.gz CVYVIBZFSMGYRV-OAGGEKHMSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053593 1257866707 /nfs/dbraw/zinc/86/67/07/1257866707.db2.gz CVYVIBZFSMGYRV-OAGGEKHMSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)C1 ZINC001084053593 1257866717 /nfs/dbraw/zinc/86/67/17/1257866717.db2.gz CVYVIBZFSMGYRV-OAGGEKHMSA-N 2 1 361.442 0.071 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056760 1257868376 /nfs/dbraw/zinc/86/83/76/1257868376.db2.gz MMMJGCAMCQNPEO-OAGGEKHMSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056760 1257868384 /nfs/dbraw/zinc/86/83/84/1257868384.db2.gz MMMJGCAMCQNPEO-OAGGEKHMSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056760 1257868391 /nfs/dbraw/zinc/86/83/91/1257868391.db2.gz MMMJGCAMCQNPEO-OAGGEKHMSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056760 1257868402 /nfs/dbraw/zinc/86/84/02/1257868402.db2.gz MMMJGCAMCQNPEO-OAGGEKHMSA-N 2 1 363.458 0.187 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001084058019 1257871878 /nfs/dbraw/zinc/87/18/78/1257871878.db2.gz GWYAIIWYDBLKFI-MSOLQXFVSA-N 2 1 359.470 0.421 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001084058019 1257871889 /nfs/dbraw/zinc/87/18/89/1257871889.db2.gz GWYAIIWYDBLKFI-MSOLQXFVSA-N 2 1 359.470 0.421 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331103242 1266147969 /nfs/dbraw/zinc/14/79/69/1266147969.db2.gz FVCKFSZVAUDKFV-QRVBRYPASA-N 2 1 370.497 0.978 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC001331133413 1266154514 /nfs/dbraw/zinc/15/45/14/1266154514.db2.gz VOMZUDBNLLEQAQ-QGZVFWFLSA-N 2 1 358.486 0.808 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084422416 1258103989 /nfs/dbraw/zinc/10/39/89/1258103989.db2.gz XYHWOQLZLHSFAR-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084422416 1258103991 /nfs/dbraw/zinc/10/39/91/1258103991.db2.gz XYHWOQLZLHSFAR-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084422416 1258103992 /nfs/dbraw/zinc/10/39/92/1258103992.db2.gz XYHWOQLZLHSFAR-IXDOHACOSA-N 2 1 363.506 0.419 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484284 1258129049 /nfs/dbraw/zinc/12/90/49/1258129049.db2.gz MMWSYOZWIUTROX-IAGOWNOFSA-N 2 1 360.502 0.770 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484284 1258129053 /nfs/dbraw/zinc/12/90/53/1258129053.db2.gz MMWSYOZWIUTROX-IAGOWNOFSA-N 2 1 360.502 0.770 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185083 1266165046 /nfs/dbraw/zinc/16/50/46/1266165046.db2.gz OCVRVXCAJOYDJS-KSZLIROESA-N 2 1 373.501 0.748 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001084662434 1258225435 /nfs/dbraw/zinc/22/54/35/1258225435.db2.gz JSXFPMMWLZBNRR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001084662434 1258225439 /nfs/dbraw/zinc/22/54/39/1258225439.db2.gz JSXFPMMWLZBNRR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001084662434 1258225444 /nfs/dbraw/zinc/22/54/44/1258225444.db2.gz JSXFPMMWLZBNRR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCN4CCCC4=O)C[C@H]32)C1 ZINC001084662434 1258225448 /nfs/dbraw/zinc/22/54/48/1258225448.db2.gz JSXFPMMWLZBNRR-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664450 1258227353 /nfs/dbraw/zinc/22/73/53/1258227353.db2.gz WZDANMCPOYXEIM-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664450 1258227356 /nfs/dbraw/zinc/22/73/56/1258227356.db2.gz WZDANMCPOYXEIM-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664450 1258227357 /nfs/dbraw/zinc/22/73/57/1258227357.db2.gz WZDANMCPOYXEIM-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CN1CCC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)C1=O ZINC001084664450 1258227360 /nfs/dbraw/zinc/22/73/60/1258227360.db2.gz WZDANMCPOYXEIM-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001331197302 1266168888 /nfs/dbraw/zinc/16/88/88/1266168888.db2.gz PLRQVAVGFJXYJO-CYGHRXIMSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001331197302 1266168896 /nfs/dbraw/zinc/16/88/96/1266168896.db2.gz PLRQVAVGFJXYJO-CYGHRXIMSA-N 2 1 358.486 0.961 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001084745419 1258285093 /nfs/dbraw/zinc/28/50/93/1258285093.db2.gz YQUJUSUBOLXIRC-SJLPKXTDSA-N 2 1 361.490 0.527 20 0 FCADMP NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001084831452 1258378480 /nfs/dbraw/zinc/37/84/80/1258378480.db2.gz LUBGVIKMRJSLCO-QZTJIDSGSA-N 2 1 356.470 0.914 20 0 FCADMP NC(=O)c1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001084831452 1258378485 /nfs/dbraw/zinc/37/84/85/1258378485.db2.gz LUBGVIKMRJSLCO-QZTJIDSGSA-N 2 1 356.470 0.914 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084957855 1258469008 /nfs/dbraw/zinc/46/90/08/1258469008.db2.gz AZNOJQWFGNOPKW-IKGGRYGDSA-N 2 1 369.473 0.975 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084957855 1258469015 /nfs/dbraw/zinc/46/90/15/1258469015.db2.gz AZNOJQWFGNOPKW-IKGGRYGDSA-N 2 1 369.473 0.975 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21)C1CC1 ZINC001084958204 1258469102 /nfs/dbraw/zinc/46/91/02/1258469102.db2.gz QGTADBIDZBQZPQ-LJHODMEESA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1)C1CC1 ZINC001084957904 1258469375 /nfs/dbraw/zinc/46/93/75/1258469375.db2.gz CXMOAAGLFFLZHR-AYBZRNKSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1)C1CC1 ZINC001084957905 1258469820 /nfs/dbraw/zinc/46/98/20/1258469820.db2.gz CXMOAAGLFFLZHR-HHXXYDBFSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074897 1258569967 /nfs/dbraw/zinc/56/99/67/1258569967.db2.gz HSRLILXBWBUGHU-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074897 1258569971 /nfs/dbraw/zinc/56/99/71/1258569971.db2.gz HSRLILXBWBUGHU-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074897 1258569976 /nfs/dbraw/zinc/56/99/76/1258569976.db2.gz HSRLILXBWBUGHU-ZACQAIPSSA-N 2 1 363.506 0.276 20 0 FCADMP COc1nccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092731 1258585607 /nfs/dbraw/zinc/58/56/07/1258585607.db2.gz OJRSTMNABXYVMN-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092731 1258585610 /nfs/dbraw/zinc/58/56/10/1258585610.db2.gz OJRSTMNABXYVMN-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092731 1258585615 /nfs/dbraw/zinc/58/56/15/1258585615.db2.gz OJRSTMNABXYVMN-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092731 1258585620 /nfs/dbraw/zinc/58/56/20/1258585620.db2.gz OJRSTMNABXYVMN-VYDXJSESSA-N 2 1 359.474 0.860 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092714 1258585687 /nfs/dbraw/zinc/58/56/87/1258585687.db2.gz NISPTAHXVFSYKE-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092714 1258585690 /nfs/dbraw/zinc/58/56/90/1258585690.db2.gz NISPTAHXVFSYKE-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092714 1258585695 /nfs/dbraw/zinc/58/56/95/1258585695.db2.gz NISPTAHXVFSYKE-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092714 1258585700 /nfs/dbraw/zinc/58/57/00/1258585700.db2.gz NISPTAHXVFSYKE-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)cc1=O ZINC001085093656 1258588059 /nfs/dbraw/zinc/58/80/59/1258588059.db2.gz RJPHEYBLHVQANN-MSOLQXFVSA-N 2 1 358.486 0.904 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CC(=O)NC1CCOCC1 ZINC001087519560 1258639412 /nfs/dbraw/zinc/63/94/12/1258639412.db2.gz SPBXYYBJRBGFNG-GVDBMIGSSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1CC(=O)NC1CCOCC1 ZINC001087519560 1258639421 /nfs/dbraw/zinc/63/94/21/1258639421.db2.gz SPBXYYBJRBGFNG-GVDBMIGSSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153749 1258665100 /nfs/dbraw/zinc/66/51/00/1258665100.db2.gz IUZRSZTWFPXYNJ-LZWOXQAQSA-N 2 1 368.441 0.535 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153749 1258665107 /nfs/dbraw/zinc/66/51/07/1258665107.db2.gz IUZRSZTWFPXYNJ-LZWOXQAQSA-N 2 1 368.441 0.535 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171702 1258691053 /nfs/dbraw/zinc/69/10/53/1258691053.db2.gz CPOLFTVZVZKXDT-OAGGEKHMSA-N 2 1 358.490 0.752 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171702 1258691057 /nfs/dbraw/zinc/69/10/57/1258691057.db2.gz CPOLFTVZVZKXDT-OAGGEKHMSA-N 2 1 358.490 0.752 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199894 1258722206 /nfs/dbraw/zinc/72/22/06/1258722206.db2.gz HEFZMDNHNVKVBY-SQNIBIBYSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199894 1258722210 /nfs/dbraw/zinc/72/22/10/1258722210.db2.gz HEFZMDNHNVKVBY-SQNIBIBYSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088199894 1258722214 /nfs/dbraw/zinc/72/22/14/1258722214.db2.gz HEFZMDNHNVKVBY-SQNIBIBYSA-N 2 1 362.518 0.731 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202186 1258723628 /nfs/dbraw/zinc/72/36/28/1258723628.db2.gz OHDLYCPAHZLIBC-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202186 1258723632 /nfs/dbraw/zinc/72/36/32/1258723632.db2.gz OHDLYCPAHZLIBC-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088749076 1258757928 /nfs/dbraw/zinc/75/79/28/1258757928.db2.gz NCMBHLHAPMOAIB-OLMNPRSZSA-N 2 1 368.441 0.785 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001331454119 1266218788 /nfs/dbraw/zinc/21/87/88/1266218788.db2.gz RVYJJSFQSQEOBW-MJGOQNOKSA-N 2 1 365.522 0.178 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782706 1258843990 /nfs/dbraw/zinc/84/39/90/1258843990.db2.gz WNTPPMNPSXJTGZ-FRFSOERESA-N 2 1 355.442 0.911 20 0 FCADMP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC001331425834 1266214637 /nfs/dbraw/zinc/21/46/37/1266214637.db2.gz LDBLJVNJVBTYMZ-IBGZPJMESA-N 2 1 372.513 0.396 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817202 1258854405 /nfs/dbraw/zinc/85/44/05/1258854405.db2.gz OSSPHNUKLFSBGW-CPUCHLNUSA-N 2 1 370.457 0.829 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438082 1258910772 /nfs/dbraw/zinc/91/07/72/1258910772.db2.gz OLVROXDBVFMEGF-PRLABOORSA-N 2 1 368.522 0.495 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438082 1258910778 /nfs/dbraw/zinc/91/07/78/1258910778.db2.gz OLVROXDBVFMEGF-PRLABOORSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001100442514 1258911505 /nfs/dbraw/zinc/91/15/05/1258911505.db2.gz KLWNRQXGVXKOQA-RDHHWEPZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001100442514 1258911510 /nfs/dbraw/zinc/91/15/10/1258911510.db2.gz KLWNRQXGVXKOQA-RDHHWEPZSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1noc(CCC[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001100438259 1258911617 /nfs/dbraw/zinc/91/16/17/1258911617.db2.gz XTSQUKLWGWGJBL-TWRYWWQQSA-N 2 1 365.478 0.514 20 0 FCADMP Cc1noc(CCC[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001100438259 1258911624 /nfs/dbraw/zinc/91/16/24/1258911624.db2.gz XTSQUKLWGWGJBL-TWRYWWQQSA-N 2 1 365.478 0.514 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106662898 1258936045 /nfs/dbraw/zinc/93/60/45/1258936045.db2.gz JAZXPTUPIOMGNC-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)C1 ZINC001106666341 1258936914 /nfs/dbraw/zinc/93/69/14/1258936914.db2.gz KZHJBTPWEZHKMZ-LZLYRXPVSA-N 2 1 364.534 0.881 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106665740 1258937383 /nfs/dbraw/zinc/93/73/83/1258937383.db2.gz AEKKGLFMDMAMKV-GVDBMIGSSA-N 2 1 368.522 0.165 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765644 1258958414 /nfs/dbraw/zinc/95/84/14/1258958414.db2.gz NEBOTKBORZPKRM-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106765902 1258958843 /nfs/dbraw/zinc/95/88/43/1258958843.db2.gz YPWRSSZPUGYFFJ-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC(C)c1nc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)no1 ZINC001106878298 1258986250 /nfs/dbraw/zinc/98/62/50/1258986250.db2.gz LEQPTSSHNRQWNW-HUUCEWRRSA-N 2 1 367.494 0.955 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905326 1258992857 /nfs/dbraw/zinc/99/28/57/1258992857.db2.gz KKUFYBBVHUEBHJ-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)C1 ZINC001107009335 1259017501 /nfs/dbraw/zinc/01/75/01/1259017501.db2.gz PQOZRNJWWYYPDZ-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCc3cnn(C)c3)[C@H](C)C2)C1 ZINC001107009335 1259017503 /nfs/dbraw/zinc/01/75/03/1259017503.db2.gz PQOZRNJWWYYPDZ-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009697 1259017519 /nfs/dbraw/zinc/01/75/19/1259017519.db2.gz WMFNUNAUPNPTIN-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009697 1259017524 /nfs/dbraw/zinc/01/75/24/1259017524.db2.gz WMFNUNAUPNPTIN-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2)C1CC1 ZINC001107439166 1259087566 /nfs/dbraw/zinc/08/75/66/1259087566.db2.gz TXZDYJMXEHMYFO-YVWKXTFCSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2)C1CCC1 ZINC001107438819 1259087684 /nfs/dbraw/zinc/08/76/84/1259087684.db2.gz JILKSURNCWFDGL-RDTXWAMCSA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2)C1CCC1 ZINC001107438819 1259087690 /nfs/dbraw/zinc/08/76/90/1259087690.db2.gz JILKSURNCWFDGL-RDTXWAMCSA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2)C1CCC1 ZINC001107438819 1259087696 /nfs/dbraw/zinc/08/76/96/1259087696.db2.gz JILKSURNCWFDGL-RDTXWAMCSA-N 2 1 365.478 0.026 20 0 FCADMP COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436165 1259088205 /nfs/dbraw/zinc/08/82/05/1259088205.db2.gz OVZKDPBFHLLNCS-ZHALLVOQSA-N 2 1 363.506 0.821 20 0 FCADMP COCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436165 1259088213 /nfs/dbraw/zinc/08/82/13/1259088213.db2.gz OVZKDPBFHLLNCS-ZHALLVOQSA-N 2 1 363.506 0.821 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC001107534315 1259110800 /nfs/dbraw/zinc/11/08/00/1259110800.db2.gz RUODHHCWCVLLHY-YQVWRLOYSA-N 2 1 363.506 0.557 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cccn1)CC2 ZINC001107609120 1259131866 /nfs/dbraw/zinc/13/18/66/1259131866.db2.gz DBYXGONDHAMNCF-IEBWSBKVSA-N 2 1 363.506 0.822 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639037 1259140973 /nfs/dbraw/zinc/14/09/73/1259140973.db2.gz SLPKSXWVMIEMKD-GPMSIDNRSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639037 1259140976 /nfs/dbraw/zinc/14/09/76/1259140976.db2.gz SLPKSXWVMIEMKD-GPMSIDNRSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639037 1259140979 /nfs/dbraw/zinc/14/09/79/1259140979.db2.gz SLPKSXWVMIEMKD-GPMSIDNRSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639037 1259140984 /nfs/dbraw/zinc/14/09/84/1259140984.db2.gz SLPKSXWVMIEMKD-GPMSIDNRSA-N 2 1 366.506 0.204 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1 ZINC001109404679 1259158351 /nfs/dbraw/zinc/15/83/51/1259158351.db2.gz HFIKMDJLXTXUMY-VSZNYVQBSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1 ZINC001109404679 1259158354 /nfs/dbraw/zinc/15/83/54/1259158354.db2.gz HFIKMDJLXTXUMY-VSZNYVQBSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC001118059706 1259170477 /nfs/dbraw/zinc/17/04/77/1259170477.db2.gz SIVUACNXTGNCKJ-SFHVURJKSA-N 2 1 358.486 0.837 20 0 FCADMP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)nn1 ZINC001127570720 1259180518 /nfs/dbraw/zinc/18/05/18/1259180518.db2.gz DIHXWQYJFZOSTL-SJORKVTESA-N 2 1 364.494 0.251 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071680 1259304789 /nfs/dbraw/zinc/30/47/89/1259304789.db2.gz JFCNPUMFRIHZFE-ZACQAIPSSA-N 2 1 366.510 0.632 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071680 1259304793 /nfs/dbraw/zinc/30/47/93/1259304793.db2.gz JFCNPUMFRIHZFE-ZACQAIPSSA-N 2 1 366.510 0.632 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103835 1259315204 /nfs/dbraw/zinc/31/52/04/1259315204.db2.gz TWZMXCMXDSDPNI-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103835 1259315210 /nfs/dbraw/zinc/31/52/10/1259315210.db2.gz TWZMXCMXDSDPNI-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276674 1259363346 /nfs/dbraw/zinc/36/33/46/1259363346.db2.gz RKBIBHGQZQESFI-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276674 1259363354 /nfs/dbraw/zinc/36/33/54/1259363354.db2.gz RKBIBHGQZQESFI-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276674 1259363361 /nfs/dbraw/zinc/36/33/61/1259363361.db2.gz RKBIBHGQZQESFI-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276589 1259363853 /nfs/dbraw/zinc/36/38/53/1259363853.db2.gz MTENNYVGEYZVIE-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276589 1259363858 /nfs/dbraw/zinc/36/38/58/1259363858.db2.gz MTENNYVGEYZVIE-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276589 1259363862 /nfs/dbraw/zinc/36/38/62/1259363862.db2.gz MTENNYVGEYZVIE-OAGGEKHMSA-N 2 1 366.510 0.632 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276641 1259364238 /nfs/dbraw/zinc/36/42/38/1259364238.db2.gz PMPBPKYTQVPYQO-IKGGRYGDSA-N 2 1 366.510 0.775 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001200536722 1259416626 /nfs/dbraw/zinc/41/66/26/1259416626.db2.gz GCBRJQIVZXJDMN-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200644097 1259418751 /nfs/dbraw/zinc/41/87/51/1259418751.db2.gz JHKOMABWCVRUOR-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)c1nnnn1C ZINC001211669056 1259426549 /nfs/dbraw/zinc/42/65/49/1259426549.db2.gz GXEZLBIIWLQWME-HYVNUMGLSA-N 2 1 371.489 0.807 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2OC)CC[N@@H+]1C ZINC001212299823 1259457259 /nfs/dbraw/zinc/45/72/59/1259457259.db2.gz QJAKBBAPNVMNQJ-YLFCFFPRSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2OC)CC[N@H+]1C ZINC001212299823 1259457264 /nfs/dbraw/zinc/45/72/64/1259457264.db2.gz QJAKBBAPNVMNQJ-YLFCFFPRSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2OC)CC[NH+]1C ZINC001212299823 1259457268 /nfs/dbraw/zinc/45/72/68/1259457268.db2.gz QJAKBBAPNVMNQJ-YLFCFFPRSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2OC)CC[NH+]1C ZINC001212299823 1259457271 /nfs/dbraw/zinc/45/72/71/1259457271.db2.gz QJAKBBAPNVMNQJ-YLFCFFPRSA-N 2 1 366.506 0.058 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001331667371 1266262291 /nfs/dbraw/zinc/26/22/91/1266262291.db2.gz IGEDNRQTFWBKEP-XLAORIBOSA-N 2 1 356.470 0.573 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409313 1259493254 /nfs/dbraw/zinc/49/32/54/1259493254.db2.gz CGPYXTYOMKIHFH-GUDVDZBRSA-N 2 1 361.486 0.835 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409313 1259493259 /nfs/dbraw/zinc/49/32/59/1259493259.db2.gz CGPYXTYOMKIHFH-GUDVDZBRSA-N 2 1 361.486 0.835 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430358 1259502820 /nfs/dbraw/zinc/50/28/20/1259502820.db2.gz KOZLKILRZLFOFL-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430358 1259502823 /nfs/dbraw/zinc/50/28/23/1259502823.db2.gz KOZLKILRZLFOFL-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430358 1259502827 /nfs/dbraw/zinc/50/28/27/1259502827.db2.gz KOZLKILRZLFOFL-RCCFBDPRSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436835 1259505829 /nfs/dbraw/zinc/50/58/29/1259505829.db2.gz MGBCMRSSPHCKCS-INMHGKMJSA-N 2 1 367.494 0.712 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436835 1259505835 /nfs/dbraw/zinc/50/58/35/1259505835.db2.gz MGBCMRSSPHCKCS-INMHGKMJSA-N 2 1 367.494 0.712 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459985 1259514478 /nfs/dbraw/zinc/51/44/78/1259514478.db2.gz CBKCMQUWWBFKGQ-GVDBMIGSSA-N 2 1 369.506 0.197 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212483547 1259519409 /nfs/dbraw/zinc/51/94/09/1259519409.db2.gz MDTAXPYQZBROIM-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212483547 1259519415 /nfs/dbraw/zinc/51/94/15/1259519415.db2.gz MDTAXPYQZBROIM-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212483547 1259519424 /nfs/dbraw/zinc/51/94/24/1259519424.db2.gz MDTAXPYQZBROIM-GVDBMIGSSA-N 2 1 371.522 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215536854 1259534357 /nfs/dbraw/zinc/53/43/57/1259534357.db2.gz WZMHBKJTVMRQRL-RBSFLKMASA-N 2 1 360.462 0.336 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC001216230063 1259537252 /nfs/dbraw/zinc/53/72/52/1259537252.db2.gz WUWLXHPBGNJSOZ-IUODEOHRSA-N 2 1 364.494 0.743 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cccc(N)n2)CC3)CC1 ZINC001233370485 1259548362 /nfs/dbraw/zinc/54/83/62/1259548362.db2.gz DDLHKZUKYQRGPB-UHFFFAOYSA-N 2 1 353.474 0.806 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cccc(N)n2)CC3)CC1 ZINC001233370485 1259548366 /nfs/dbraw/zinc/54/83/66/1259548366.db2.gz DDLHKZUKYQRGPB-UHFFFAOYSA-N 2 1 353.474 0.806 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCNC(=O)NC(C)C)CC[N@@H+]1C ZINC001234403665 1259560318 /nfs/dbraw/zinc/56/03/18/1259560318.db2.gz WXZZHPRKGVWUPE-YESZJQIVSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCNC(=O)NC(C)C)CC[N@H+]1C ZINC001234403665 1259560323 /nfs/dbraw/zinc/56/03/23/1259560323.db2.gz WXZZHPRKGVWUPE-YESZJQIVSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCNC(=O)NC(C)C)CC[NH+]1C ZINC001234403665 1259560330 /nfs/dbraw/zinc/56/03/30/1259560330.db2.gz WXZZHPRKGVWUPE-YESZJQIVSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCNC(=O)NC(C)C)CC[NH+]1C ZINC001234403665 1259560335 /nfs/dbraw/zinc/56/03/35/1259560335.db2.gz WXZZHPRKGVWUPE-YESZJQIVSA-N 2 1 367.538 0.957 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C[C@@H]2N1 ZINC001235283014 1259568698 /nfs/dbraw/zinc/56/86/98/1259568698.db2.gz MZSVBLGMJRDGGY-AQNXPRMDSA-N 2 1 372.513 0.817 20 0 FCADMP c1cc(CN2CC[NH2+]CC2)cc(CN2CCN(C3CC[NH2+]CC3)CC2)c1 ZINC001235699964 1259581937 /nfs/dbraw/zinc/58/19/37/1259581937.db2.gz VQTCFNSKTVZINK-UHFFFAOYSA-N 2 1 357.546 0.961 20 0 FCADMP COC(=O)C1([NH3+])CCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001235829166 1259583070 /nfs/dbraw/zinc/58/30/70/1259583070.db2.gz OPZGQDKJUQIUIT-UHFFFAOYSA-N 2 1 372.473 0.663 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]1C2 ZINC001236026848 1259586981 /nfs/dbraw/zinc/58/69/81/1259586981.db2.gz KWXDENDDNNJCJX-OLMMMNRUSA-N 2 1 368.441 0.697 20 0 FCADMP c1cc2n(c1C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CC[NH2+]C2 ZINC001236401975 1259591280 /nfs/dbraw/zinc/59/12/80/1259591280.db2.gz ZUYVZBURXOUNRS-UHFFFAOYSA-N 3 1 361.534 0.725 20 0 FCADMP O=C(CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCCCC1 ZINC001335336429 1259612644 /nfs/dbraw/zinc/61/26/44/1259612644.db2.gz FCJXFKQINPPUIK-CALCHBBNSA-N 2 1 363.506 0.609 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238103784 1259615094 /nfs/dbraw/zinc/61/50/94/1259615094.db2.gz GXGHTJBTABJBOE-HXUWFJFHSA-N 2 1 371.485 0.995 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238103784 1259615102 /nfs/dbraw/zinc/61/51/02/1259615102.db2.gz GXGHTJBTABJBOE-HXUWFJFHSA-N 2 1 371.485 0.995 20 0 FCADMP C[C@@H]1CN(c2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)nn2)CC[NH2+]1 ZINC001240539854 1259628176 /nfs/dbraw/zinc/62/81/76/1259628176.db2.gz BOVZGBQOVSCMGD-OAHLLOKOSA-N 2 1 357.462 0.470 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3cc4c(nn3)CC[NH2+]C4)cc2)CC1 ZINC001242096980 1259633217 /nfs/dbraw/zinc/63/32/17/1259633217.db2.gz KLLWAMHAEXOFBT-UHFFFAOYSA-N 2 1 352.442 0.682 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3cc(C4C[NH2+]C4)ncn3)cc2)CC1 ZINC001242097662 1259633237 /nfs/dbraw/zinc/63/32/37/1259633237.db2.gz XSDPDQYDHDIHHD-UHFFFAOYSA-N 2 1 352.442 0.723 20 0 FCADMP CCOC(=O)C[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246006516 1259644275 /nfs/dbraw/zinc/64/42/75/1259644275.db2.gz WUVMSVFFFLOVSV-GBESFXJTSA-N 2 1 363.502 0.828 20 0 FCADMP O[C@@H](C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246044260 1259646537 /nfs/dbraw/zinc/64/65/37/1259646537.db2.gz FSKGDYRMKMLKSL-GOSISDBHSA-N 3 1 359.514 0.989 20 0 FCADMP O=C1O[C@@H](C[NH2+]C2CC[NH2+]CC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001246212257 1259649652 /nfs/dbraw/zinc/64/96/52/1259649652.db2.gz UNBOECDTDZOOOZ-KRWDZBQOSA-N 2 1 374.441 0.717 20 0 FCADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001246480612 1259653558 /nfs/dbraw/zinc/65/35/58/1259653558.db2.gz GMQLJJLBNQQZPH-UBDQQSCGSA-N 2 1 360.502 0.954 20 0 FCADMP COc1ccc(CN2CC[C@@H]([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246580737 1259656937 /nfs/dbraw/zinc/65/69/37/1259656937.db2.gz OGWVKUMTICDRSA-ZMSDIMECSA-N 2 1 363.458 0.446 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CN1 ZINC001246609373 1259657950 /nfs/dbraw/zinc/65/79/50/1259657950.db2.gz MZHPTNWAICAFQP-FPXQBCRKSA-N 2 1 367.490 0.535 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429971 1259661268 /nfs/dbraw/zinc/66/12/68/1259661268.db2.gz IUSBSWUNOIZGLF-CVEARBPZSA-N 2 1 353.511 0.080 20 0 FCADMP c1ccc(OCc2nnc3n2CC[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)nc1 ZINC001246696049 1259661141 /nfs/dbraw/zinc/66/11/41/1259661141.db2.gz PGEHAJSTEXTKLJ-HNNXBMFYSA-N 2 1 369.473 0.204 20 0 FCADMP O=C(CC1CC1)N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12 ZINC001246694236 1259662733 /nfs/dbraw/zinc/66/27/33/1259662733.db2.gz MZMFUHADWQCJEE-FAJBIJEISA-N 2 1 362.518 0.476 20 0 FCADMP Cc1cccc(CO[C@@H]2C[C@@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)n1 ZINC001246709226 1259666156 /nfs/dbraw/zinc/66/61/56/1259666156.db2.gz QWQWXXLMCJTQPG-XUVXKRRUSA-N 2 1 371.529 0.759 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246722678 1259667862 /nfs/dbraw/zinc/66/78/62/1259667862.db2.gz RXMOWLUUJRFBKW-ZSZQSSIHSA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246722678 1259667868 /nfs/dbraw/zinc/66/78/68/1259667868.db2.gz RXMOWLUUJRFBKW-ZSZQSSIHSA-N 2 1 374.489 0.200 20 0 FCADMP c1ncn2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1cccnc1)C2 ZINC001246718642 1259668812 /nfs/dbraw/zinc/66/88/12/1259668812.db2.gz JMYZSSQYMHOHGD-DLBZAZTESA-N 2 1 368.485 0.883 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461515 1259671379 /nfs/dbraw/zinc/67/13/79/1259671379.db2.gz WKKCPGDGFOOKFI-ARFHVFGLSA-N 2 1 352.479 0.308 20 0 FCADMP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)O1 ZINC001246727161 1259671588 /nfs/dbraw/zinc/67/15/88/1259671588.db2.gz UUJJDJKZWJIQKK-GPMSIDNRSA-N 2 1 365.522 0.365 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246737604 1259672126 /nfs/dbraw/zinc/67/21/26/1259672126.db2.gz JMFXYFISIJQFMM-IBGZPJMESA-N 2 1 357.458 0.473 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246737604 1259672132 /nfs/dbraw/zinc/67/21/32/1259672132.db2.gz JMFXYFISIJQFMM-IBGZPJMESA-N 2 1 357.458 0.473 20 0 FCADMP c1cnc(N2CCC[C@@]3(C2)C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756222 1259681436 /nfs/dbraw/zinc/68/14/36/1259681436.db2.gz MUQJVBUYKIKVMP-LPHOPBHVSA-N 2 1 358.490 0.242 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001335484685 1259681700 /nfs/dbraw/zinc/68/17/00/1259681700.db2.gz ZIVYJSCSCFXHFS-SFHVURJKSA-N 2 1 359.518 0.934 20 0 FCADMP c1cnc(N2CCOC[C@]3(CCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2)nc1 ZINC001246769742 1259685923 /nfs/dbraw/zinc/68/59/23/1259685923.db2.gz XZDLKLOCNPYQAD-HKUYNNGSSA-N 2 1 372.517 0.489 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001335505559 1259689570 /nfs/dbraw/zinc/68/95/70/1259689570.db2.gz KGYDYHZSFPERSY-GOEBONIOSA-N 2 1 354.470 0.431 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001335505559 1259689577 /nfs/dbraw/zinc/68/95/77/1259689577.db2.gz KGYDYHZSFPERSY-GOEBONIOSA-N 2 1 354.470 0.431 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC001246810230 1259690726 /nfs/dbraw/zinc/69/07/26/1259690726.db2.gz RRXWMPCYTBKBFD-KSAJCEOXSA-N 2 1 359.474 0.665 20 0 FCADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCNCC[NH2+]CCNCC2)cc1 ZINC001246824962 1259691193 /nfs/dbraw/zinc/69/11/93/1259691193.db2.gz ZXVKYHYDSKLGCU-QGZVFWFLSA-N 2 1 362.518 0.879 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246866709 1259693263 /nfs/dbraw/zinc/69/32/63/1259693263.db2.gz GNQKKHLYIKGAJG-SNUQEOBHSA-N 2 1 360.462 0.026 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246866709 1259693270 /nfs/dbraw/zinc/69/32/70/1259693270.db2.gz GNQKKHLYIKGAJG-SNUQEOBHSA-N 2 1 360.462 0.026 20 0 FCADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(C[C@@H]([NH3+])CC(N)=O)n2)c1 ZINC001249345567 1259722562 /nfs/dbraw/zinc/72/25/62/1259722562.db2.gz WHESYJGFNPFYGE-AWEZNQCLSA-N 2 1 368.397 0.870 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986842 1259771675 /nfs/dbraw/zinc/77/16/75/1259771675.db2.gz ZAEHFMWVJSBGQA-GUDVDZBRSA-N 2 1 361.486 0.831 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986842 1259771682 /nfs/dbraw/zinc/77/16/82/1259771682.db2.gz ZAEHFMWVJSBGQA-GUDVDZBRSA-N 2 1 361.486 0.831 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CC[C@@H]2C1 ZINC001251986842 1259771689 /nfs/dbraw/zinc/77/16/89/1259771689.db2.gz ZAEHFMWVJSBGQA-GUDVDZBRSA-N 2 1 361.486 0.831 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)CC1 ZINC001252641725 1259800352 /nfs/dbraw/zinc/80/03/52/1259800352.db2.gz WOTMGYMGNFNBJO-QGZVFWFLSA-N 2 1 365.474 0.643 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252933596 1259812324 /nfs/dbraw/zinc/81/23/24/1259812324.db2.gz LMPQNEWAWLARMY-TZIWHRDSSA-N 2 1 374.529 0.766 20 0 FCADMP O=C1C=CC(=O)N1CCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950067 1259813684 /nfs/dbraw/zinc/81/36/84/1259813684.db2.gz BUEYYOBHAISVAJ-FQEVSTJZSA-N 2 1 357.454 0.918 20 0 FCADMP O=C1C=CC(=O)N1CCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950067 1259813690 /nfs/dbraw/zinc/81/36/90/1259813690.db2.gz BUEYYOBHAISVAJ-FQEVSTJZSA-N 2 1 357.454 0.918 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181598 1259826023 /nfs/dbraw/zinc/82/60/23/1259826023.db2.gz FVHUUDBINHIKSU-ZWKOTPCHSA-N 2 1 365.518 0.816 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001253184342 1259828162 /nfs/dbraw/zinc/82/81/62/1259828162.db2.gz FBEZCVSYYQIIJA-RWQQGDIJSA-N 2 1 367.534 0.942 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001253185734 1259828590 /nfs/dbraw/zinc/82/85/90/1259828590.db2.gz TUFDMPQMAAGJKV-YQVWRLOYSA-N 2 1 370.538 0.974 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001253185734 1259828596 /nfs/dbraw/zinc/82/85/96/1259828596.db2.gz TUFDMPQMAAGJKV-YQVWRLOYSA-N 2 1 370.538 0.974 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001253203788 1259829316 /nfs/dbraw/zinc/82/93/16/1259829316.db2.gz LLZKWIDXEFIOLJ-CVEARBPZSA-N 2 1 360.462 0.531 20 0 FCADMP Cn1cc([C@@H]2CC(=O)NC23CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC3)cn1 ZINC001253390671 1259838386 /nfs/dbraw/zinc/83/83/86/1259838386.db2.gz RNAZXNFOSCKOII-CVEARBPZSA-N 2 1 363.506 0.607 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001253390017 1259838526 /nfs/dbraw/zinc/83/85/26/1259838526.db2.gz HYNRVFFRVZNLON-BRSBDYLESA-N 2 1 367.534 0.989 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253394923 1259838658 /nfs/dbraw/zinc/83/86/58/1259838658.db2.gz VNIKNWWLJVZYEM-ZACQAIPSSA-N 2 1 359.470 0.852 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253394923 1259838666 /nfs/dbraw/zinc/83/86/66/1259838666.db2.gz VNIKNWWLJVZYEM-ZACQAIPSSA-N 2 1 359.470 0.852 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001253448541 1259839272 /nfs/dbraw/zinc/83/92/72/1259839272.db2.gz OERXCMROSFPLDU-QGZVFWFLSA-N 2 1 365.518 0.987 20 0 FCADMP COC(=O)[C@H]1C[N@H+](C)CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040956 1259868188 /nfs/dbraw/zinc/86/81/88/1259868188.db2.gz FTPJAXQGPNPDGB-GOSISDBHSA-N 2 1 361.486 0.803 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](C)CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040956 1259868200 /nfs/dbraw/zinc/86/82/00/1259868200.db2.gz FTPJAXQGPNPDGB-GOSISDBHSA-N 2 1 361.486 0.803 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](CO)CC3CCOCC3)cn2)CC1 ZINC001256035528 1259931747 /nfs/dbraw/zinc/93/17/47/1259931747.db2.gz OWUJXZZUKNOGJB-QGZVFWFLSA-N 2 1 363.506 0.743 20 0 FCADMP C[NH+]1CCC([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CC1 ZINC001256194484 1259936315 /nfs/dbraw/zinc/93/63/15/1259936315.db2.gz COPKZHQVQGRBGH-IBGZPJMESA-N 2 1 374.529 0.722 20 0 FCADMP C[C@H](CC(=O)N1CCOCC1)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001256342619 1259948560 /nfs/dbraw/zinc/94/85/60/1259948560.db2.gz IAMLVYUAKCEXJB-OAHLLOKOSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001256434878 1259951899 /nfs/dbraw/zinc/95/18/99/1259951899.db2.gz ODSFUEHWBMYLGQ-MOPGFXCFSA-N 2 1 366.550 0.973 20 0 FCADMP COCC1(CNC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC[NH2+]CC1 ZINC001331876589 1266297998 /nfs/dbraw/zinc/29/79/98/1266297998.db2.gz DKDLXOARKQTADZ-UHFFFAOYSA-N 2 1 367.538 0.424 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001522012404 1266298834 /nfs/dbraw/zinc/29/88/34/1266298834.db2.gz ZBIBTZUFLMMHCR-AEFFLSMTSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001522012404 1266298846 /nfs/dbraw/zinc/29/88/46/1266298846.db2.gz ZBIBTZUFLMMHCR-AEFFLSMTSA-N 2 1 367.538 0.103 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261524293 1260154646 /nfs/dbraw/zinc/15/46/46/1260154646.db2.gz VOWFRZKXUQSABS-JYJNAYRXSA-N 2 1 363.462 0.053 20 0 FCADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750155 1260213137 /nfs/dbraw/zinc/21/31/37/1260213137.db2.gz NIRDOEZVYJTGOB-QUCCMNQESA-N 2 1 364.486 0.770 20 0 FCADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750155 1260213143 /nfs/dbraw/zinc/21/31/43/1260213143.db2.gz NIRDOEZVYJTGOB-QUCCMNQESA-N 2 1 364.486 0.770 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001262046424 1260249864 /nfs/dbraw/zinc/24/98/64/1260249864.db2.gz QIQMFLBUPHMTFK-CEXWTWQISA-N 2 1 366.550 0.925 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001336949683 1260264470 /nfs/dbraw/zinc/26/44/70/1260264470.db2.gz CKHQWUARCJQHRN-PERQIHFISA-N 2 1 365.522 0.352 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001336950111 1260264692 /nfs/dbraw/zinc/26/46/92/1260264692.db2.gz FYKCOAWXTHJZEU-CVEARBPZSA-N 2 1 353.511 0.428 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001336950111 1260264697 /nfs/dbraw/zinc/26/46/97/1260264697.db2.gz FYKCOAWXTHJZEU-CVEARBPZSA-N 2 1 353.511 0.428 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978862 1260273462 /nfs/dbraw/zinc/27/34/62/1260273462.db2.gz XKYAQZKRSBLUPQ-XHSDSOJGSA-N 2 1 359.536 0.861 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084051 1260305704 /nfs/dbraw/zinc/30/57/04/1260305704.db2.gz GPVRYQUPVXEAKL-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337084051 1260305710 /nfs/dbraw/zinc/30/57/10/1260305710.db2.gz GPVRYQUPVXEAKL-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337084051 1260305717 /nfs/dbraw/zinc/30/57/17/1260305717.db2.gz GPVRYQUPVXEAKL-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)c2)CC1 ZINC001337598562 1260436777 /nfs/dbraw/zinc/43/67/77/1260436777.db2.gz YSSGIJABEMINAE-GOSISDBHSA-N 2 1 373.501 0.976 20 0 FCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)c2)CC1 ZINC001337598562 1260436782 /nfs/dbraw/zinc/43/67/82/1260436782.db2.gz YSSGIJABEMINAE-GOSISDBHSA-N 2 1 373.501 0.976 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]2C1 ZINC001337805836 1260488322 /nfs/dbraw/zinc/48/83/22/1260488322.db2.gz OKDKZLCVNANEKF-XHSDSOJGSA-N 3 1 363.506 0.622 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]2C1 ZINC001337805836 1260488326 /nfs/dbraw/zinc/48/83/26/1260488326.db2.gz OKDKZLCVNANEKF-XHSDSOJGSA-N 2 1 363.506 0.622 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc(CCO)cc3)C2)OCC1=O ZINC001277918557 1260677229 /nfs/dbraw/zinc/67/72/29/1260677229.db2.gz ZZDWPTPLIJAFJM-HXUWFJFHSA-N 2 1 361.486 0.586 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001278464890 1260694376 /nfs/dbraw/zinc/69/43/76/1260694376.db2.gz ZRYNVVTWHUKXEJ-OTWHNJEPSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001278464890 1260694383 /nfs/dbraw/zinc/69/43/83/1260694383.db2.gz ZRYNVVTWHUKXEJ-OTWHNJEPSA-N 2 1 363.502 0.809 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478888 1260698084 /nfs/dbraw/zinc/69/80/84/1260698084.db2.gz DEISBZJZRYHIDL-YLJYHZDGSA-N 2 1 362.518 0.873 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccco4)CC3)[C@H]2C1 ZINC001278508410 1260702811 /nfs/dbraw/zinc/70/28/11/1260702811.db2.gz SMENNNKQLXZAMO-IRXDYDNUSA-N 2 1 363.458 0.913 20 0 FCADMP CC(=O)OCc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)o1 ZINC001278824695 1260739036 /nfs/dbraw/zinc/73/90/36/1260739036.db2.gz LMLBYNPSNNCLIW-IRXDYDNUSA-N 2 1 361.442 0.985 20 0 FCADMP O=C1NC2(CC[NH+](Cc3ccc[nH]3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279176463 1260798418 /nfs/dbraw/zinc/79/84/18/1260798418.db2.gz IXCUZRKHSBHANL-IRXDYDNUSA-N 2 1 354.458 0.950 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]c4)CC3)[C@H]2C1 ZINC001279309971 1260834889 /nfs/dbraw/zinc/83/48/89/1260834889.db2.gz QSORNTJIODFJSA-HOTGVXAUSA-N 2 1 359.474 0.115 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H]4CCCO4)CC3)[C@H]2C1 ZINC001279466567 1260873721 /nfs/dbraw/zinc/87/37/21/1260873721.db2.gz ADGDELIDCMAKMD-IKGGRYGDSA-N 2 1 367.490 0.298 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2COC(C)(C)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279469847 1260875592 /nfs/dbraw/zinc/87/55/92/1260875592.db2.gz PZDRTCQHJOXOFL-QFBILLFUSA-N 2 1 368.522 0.356 20 0 FCADMP COCCOCN1CC[N@@H+](CC2CC[NH2+]CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279614718 1260898924 /nfs/dbraw/zinc/89/89/24/1260898924.db2.gz ASWGWCCDDMOYNF-LJQANCHMSA-N 2 1 368.522 0.263 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc(-n4ccnn4)cc3)C[C@H](C1)O2 ZINC001279662717 1260909797 /nfs/dbraw/zinc/90/97/97/1260909797.db2.gz RBDGITQLSKOFAE-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc(-n4ccnn4)cc3)C[C@H](C1)O2 ZINC001279662717 1260909804 /nfs/dbraw/zinc/90/98/04/1260909804.db2.gz RBDGITQLSKOFAE-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001279674036 1260912227 /nfs/dbraw/zinc/91/22/27/1260912227.db2.gz GKFBWEFVQJNEQY-SJORKVTESA-N 2 1 357.462 0.313 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001279675555 1260913420 /nfs/dbraw/zinc/91/34/20/1260913420.db2.gz UKAJFJBBQIKUPL-OALUTQOASA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3-n3cncn3)C[C@H](C1)O2 ZINC001279712703 1260919508 /nfs/dbraw/zinc/91/95/08/1260919508.db2.gz DTDWCGNDKZXULK-HDICACEKSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccccc3-n3cncn3)C[C@H](C1)O2 ZINC001279712703 1260919512 /nfs/dbraw/zinc/91/95/12/1260919512.db2.gz DTDWCGNDKZXULK-HDICACEKSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](Cc2ccnnc2)C3)CC1 ZINC001279859608 1260945603 /nfs/dbraw/zinc/94/56/03/1260945603.db2.gz NIQGBEWGAQDYPH-KRWDZBQOSA-N 2 1 359.474 0.526 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CCCC(=O)OC)C[C@H]12 ZINC001279883508 1260950299 /nfs/dbraw/zinc/95/02/99/1260950299.db2.gz FFBPNSWKOPJJDH-LSDHHAIUSA-N 2 1 368.478 0.426 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CCCC(=O)OC)C[C@H]12 ZINC001279883508 1260950303 /nfs/dbraw/zinc/95/03/03/1260950303.db2.gz FFBPNSWKOPJJDH-LSDHHAIUSA-N 2 1 368.478 0.426 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C[C@@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892307 1260953490 /nfs/dbraw/zinc/95/34/90/1260953490.db2.gz FUDUBUKMJDIFPR-MAUKXSAKSA-N 2 1 361.490 0.877 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025614 1260979884 /nfs/dbraw/zinc/97/98/84/1260979884.db2.gz GBBQPGZFXPCDBO-FSDCSDTHSA-N 2 1 367.490 0.485 20 0 FCADMP COCCC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001280097902 1261002255 /nfs/dbraw/zinc/00/22/55/1261002255.db2.gz JLHGPUJFQIHMLX-UHFFFAOYSA-N 2 1 365.482 0.362 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)CC1 ZINC001280126266 1261012029 /nfs/dbraw/zinc/01/20/29/1261012029.db2.gz VGVQEIYPRBSZII-JKSUJKDBSA-N 2 1 364.465 0.975 20 0 FCADMP CC(=O)NCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169969 1261019731 /nfs/dbraw/zinc/01/97/31/1261019731.db2.gz OALUYELIYHMUBI-UYAOXDASSA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)NC(=O)N1C[C@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280223151 1261039718 /nfs/dbraw/zinc/03/97/18/1261039718.db2.gz DECWFXHRXBGOSK-HZPDHXFCSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001281613729 1261124556 /nfs/dbraw/zinc/12/45/56/1261124556.db2.gz RXHGVWYZRAQFGP-ARFHVFGLSA-N 2 1 361.490 0.821 20 0 FCADMP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001281613729 1261124558 /nfs/dbraw/zinc/12/45/58/1261124558.db2.gz RXHGVWYZRAQFGP-ARFHVFGLSA-N 2 1 361.490 0.821 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001281857449 1261238593 /nfs/dbraw/zinc/23/85/93/1261238593.db2.gz NLTXRYFAIDOPFQ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001281857449 1261238595 /nfs/dbraw/zinc/23/85/95/1261238595.db2.gz NLTXRYFAIDOPFQ-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O)C1CCC1 ZINC001281899363 1261268034 /nfs/dbraw/zinc/26/80/34/1261268034.db2.gz IWTRCKKASZSDPW-SJORKVTESA-N 2 1 371.441 0.120 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC1 ZINC001345130949 1261638853 /nfs/dbraw/zinc/63/88/53/1261638853.db2.gz GINCJKIXYQVNMV-ZACQAIPSSA-N 2 1 362.518 0.587 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580320845 1278122195 /nfs/dbraw/zinc/12/21/95/1278122195.db2.gz LENKJIKKQCTATF-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C[C@H]1O ZINC001289146531 1262127588 /nfs/dbraw/zinc/12/75/88/1262127588.db2.gz UQSZRMZTBBDOLU-BRWVUGGUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001290042118 1262375546 /nfs/dbraw/zinc/37/55/46/1262375546.db2.gz CKXUBEULBLMJDK-WCXIOVBPSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001290042118 1262375548 /nfs/dbraw/zinc/37/55/48/1262375548.db2.gz CKXUBEULBLMJDK-WCXIOVBPSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001580340888 1278138496 /nfs/dbraw/zinc/13/84/96/1278138496.db2.gz NYHDIJPBIUMSON-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580340888 1278138502 /nfs/dbraw/zinc/13/85/02/1278138502.db2.gz NYHDIJPBIUMSON-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001580340888 1278138505 /nfs/dbraw/zinc/13/85/05/1278138505.db2.gz NYHDIJPBIUMSON-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001580355164 1278158034 /nfs/dbraw/zinc/15/80/34/1278158034.db2.gz VDRBXCXZFPKPFC-TZMCWYRMSA-N 2 1 370.461 0.544 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC001580383944 1278199729 /nfs/dbraw/zinc/19/97/29/1278199729.db2.gz GEVHPFDBNLQOAG-KSZLIROESA-N 2 1 366.506 0.778 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484136586 1263455436 /nfs/dbraw/zinc/45/54/36/1263455436.db2.gz MJUFIHPJULHPDH-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316761085 1263465737 /nfs/dbraw/zinc/46/57/37/1263465737.db2.gz PWNZCVKWQFBGIQ-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316761085 1263465741 /nfs/dbraw/zinc/46/57/41/1263465741.db2.gz PWNZCVKWQFBGIQ-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCCO3)CCC2)CC[N@H+]1C ZINC001484634341 1263481347 /nfs/dbraw/zinc/48/13/47/1263481347.db2.gz LMEODKROEIYCDZ-BZUAXINKSA-N 2 1 366.506 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCNC(=O)CC3)CCC2)CC[N@H+]1C ZINC001484633977 1263481927 /nfs/dbraw/zinc/48/19/27/1263481927.db2.gz BYYVXXHPNNMWIF-BZUAXINKSA-N 2 1 350.507 0.871 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318662291 1263597795 /nfs/dbraw/zinc/59/77/95/1263597795.db2.gz RYAHRUNMUISPBR-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318662291 1263597800 /nfs/dbraw/zinc/59/78/00/1263597800.db2.gz RYAHRUNMUISPBR-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318662291 1263597806 /nfs/dbraw/zinc/59/78/06/1263597806.db2.gz RYAHRUNMUISPBR-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580385560 1278207905 /nfs/dbraw/zinc/20/79/05/1278207905.db2.gz OISLWXQOPGZJQM-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCNC(=O)C4CC4)C3)CC2)CC[N@H+]1C ZINC001319398174 1263688107 /nfs/dbraw/zinc/68/81/07/1263688107.db2.gz MOQCSLHLMQIDAD-NVXWUHKLSA-N 2 1 362.518 0.777 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[NH+]3CC=CC3)c2)CC1 ZINC001320715139 1263844110 /nfs/dbraw/zinc/84/41/10/1263844110.db2.gz NFFOSHGZESAZFL-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@@H+](C)CC1 ZINC001320921450 1263883207 /nfs/dbraw/zinc/88/32/07/1263883207.db2.gz FJOSKMALVYUUGT-AWEZNQCLSA-N 2 1 374.489 0.855 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001506957907 1264347960 /nfs/dbraw/zinc/34/79/60/1264347960.db2.gz FKUBURXHIRZLCL-JKIFEVAISA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506957907 1264347968 /nfs/dbraw/zinc/34/79/68/1264347968.db2.gz FKUBURXHIRZLCL-JKIFEVAISA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506957907 1264347975 /nfs/dbraw/zinc/34/79/75/1264347975.db2.gz FKUBURXHIRZLCL-JKIFEVAISA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[C@H](C)[NH2+]C)CC2)CC1 ZINC001325324282 1264847017 /nfs/dbraw/zinc/84/70/17/1264847017.db2.gz NZAWCZRYWVIRPG-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC001325882780 1265014182 /nfs/dbraw/zinc/01/41/82/1265014182.db2.gz VYSQVVKWMWMUDW-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@H+]1CCOC ZINC001325882780 1265014191 /nfs/dbraw/zinc/01/41/91/1265014191.db2.gz VYSQVVKWMWMUDW-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580405830 1278241018 /nfs/dbraw/zinc/24/10/18/1278241018.db2.gz KFZAJAVPJRHYSJ-VXGBXAGGSA-N 2 1 363.491 0.864 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580406623 1278244941 /nfs/dbraw/zinc/24/49/41/1278244941.db2.gz QVBBAVPGSHKHOV-DGCLKSJQSA-N 2 1 361.425 0.552 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513418023 1265110398 /nfs/dbraw/zinc/11/03/98/1265110398.db2.gz FKONSUGWMFUCIS-HZPDHXFCSA-N 2 1 370.538 0.648 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580408200 1278248092 /nfs/dbraw/zinc/24/80/92/1278248092.db2.gz FHJCQDBXUPIEDA-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574111 1266432397 /nfs/dbraw/zinc/43/23/97/1266432397.db2.gz SIEFMBYCGFRACT-RCCFBDPRSA-N 2 1 367.538 0.694 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001332966490 1266512287 /nfs/dbraw/zinc/51/22/87/1266512287.db2.gz MQGVSLGCFSWRMR-HNNXBMFYSA-N 2 1 372.477 0.888 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001526630436 1266823161 /nfs/dbraw/zinc/82/31/61/1266823161.db2.gz OBBTWUCRKXOUHU-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@@H]1[NH3+] ZINC001334241267 1266906495 /nfs/dbraw/zinc/90/64/95/1266906495.db2.gz MCIDJMGBIIQRDU-SQNIBIBYSA-N 2 1 367.538 0.552 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1[NH3+] ZINC001334241258 1266906521 /nfs/dbraw/zinc/90/65/21/1266906521.db2.gz MCIDJMGBIIQRDU-FGTMMUONSA-N 2 1 367.538 0.552 20 0 FCADMP Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001543331558 1267543454 /nfs/dbraw/zinc/54/34/54/1267543454.db2.gz UHEKQXKLXGFNME-GOSISDBHSA-N 2 1 366.510 0.200 20 0 FCADMP Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001543331558 1267543461 /nfs/dbraw/zinc/54/34/61/1267543461.db2.gz UHEKQXKLXGFNME-GOSISDBHSA-N 2 1 366.510 0.200 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001548479473 1267722656 /nfs/dbraw/zinc/72/26/56/1267722656.db2.gz RDSIEJZLHQDUBQ-RTBURBONSA-N 2 1 374.533 0.914 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549125746 1267818533 /nfs/dbraw/zinc/81/85/33/1267818533.db2.gz PTGVHDIFRQMLML-JHDROBOHSA-N 2 1 361.490 0.497 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001549151044 1267828815 /nfs/dbraw/zinc/82/88/15/1267828815.db2.gz UVXJNYYXCPPJSC-IAGOWNOFSA-N 2 1 359.474 0.951 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001549151044 1267828822 /nfs/dbraw/zinc/82/88/22/1267828822.db2.gz UVXJNYYXCPPJSC-IAGOWNOFSA-N 2 1 359.474 0.951 20 0 FCADMP [NH3+]C1(CNC(=O)NCc2cnn3c2C[NH2+]CC3)C2CC3CC(C2)CC1C3 ZINC001549740852 1267985319 /nfs/dbraw/zinc/98/53/19/1267985319.db2.gz NNWKKDDVUFLGGQ-UHFFFAOYSA-N 2 1 358.490 0.939 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2cnn3c2C[NH2+]CC3)C1 ZINC001549745567 1267986480 /nfs/dbraw/zinc/98/64/80/1267986480.db2.gz JNVZHPVFCQIKLT-JKSUJKDBSA-N 2 1 362.478 0.381 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC001550271742 1268102695 /nfs/dbraw/zinc/10/26/95/1268102695.db2.gz JBQOGYKHXBSQOY-SFHVURJKSA-N 2 1 357.502 0.864 20 0 FCADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550284030 1268103722 /nfs/dbraw/zinc/10/37/22/1268103722.db2.gz SIUICCXHZIIWQB-OAGGEKHMSA-N 2 1 354.495 0.242 20 0 FCADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[N@@H+](C)C1 ZINC001550284098 1268104200 /nfs/dbraw/zinc/10/42/00/1268104200.db2.gz WPTIBACBVAXERB-OAGGEKHMSA-N 2 1 354.495 0.506 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410409 1268112878 /nfs/dbraw/zinc/11/28/78/1268112878.db2.gz ZMZNJADGOHYWTR-LZQZEXGQSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC001550410409 1268112884 /nfs/dbraw/zinc/11/28/84/1268112884.db2.gz ZMZNJADGOHYWTR-LZQZEXGQSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC001550410409 1268112889 /nfs/dbraw/zinc/11/28/89/1268112889.db2.gz ZMZNJADGOHYWTR-LZQZEXGQSA-N 2 1 361.490 0.401 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)n1 ZINC001550410409 1268112892 /nfs/dbraw/zinc/11/28/92/1268112892.db2.gz ZMZNJADGOHYWTR-LZQZEXGQSA-N 2 1 361.490 0.401 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001550727996 1268157785 /nfs/dbraw/zinc/15/77/85/1268157785.db2.gz XEUUGDWGAABRPH-AKHDSKFASA-N 2 1 359.470 0.831 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001550727996 1268157788 /nfs/dbraw/zinc/15/77/88/1268157788.db2.gz XEUUGDWGAABRPH-AKHDSKFASA-N 2 1 359.470 0.831 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001550730314 1268158041 /nfs/dbraw/zinc/15/80/41/1268158041.db2.gz FFXLDGABXBSEPH-IAGOWNOFSA-N 2 1 366.506 0.509 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccncc3O[C@H]3CC[NH2+]C3)C[C@@]2(C)C1 ZINC001550753964 1268163051 /nfs/dbraw/zinc/16/30/51/1268163051.db2.gz HTBRGFRSALNNNP-JTDSTZFVSA-N 2 1 359.474 0.915 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001550980205 1268188548 /nfs/dbraw/zinc/18/85/48/1268188548.db2.gz KTHNLQLPYWVGTP-NUJGCVRESA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@@H](C)O1 ZINC001550980931 1268189958 /nfs/dbraw/zinc/18/99/58/1268189958.db2.gz UQGHPVLKAMRPQZ-NUJGCVRESA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@@H](C)O1 ZINC001550980931 1268189963 /nfs/dbraw/zinc/18/99/63/1268189963.db2.gz UQGHPVLKAMRPQZ-NUJGCVRESA-N 2 1 368.522 0.990 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001551156011 1268209084 /nfs/dbraw/zinc/20/90/84/1268209084.db2.gz ACOIKYDZHSZPND-VIHIWDAPSA-N 2 1 351.491 0.999 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156013 1268209564 /nfs/dbraw/zinc/20/95/64/1268209564.db2.gz ACOIKYDZHSZPND-VZDIDWBNSA-N 2 1 351.491 0.999 20 0 FCADMP Cn1cc([C@@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@@H]2CO)cn1 ZINC001551236461 1268217055 /nfs/dbraw/zinc/21/70/55/1268217055.db2.gz SOLRNFJCUAIPSL-MSOLQXFVSA-N 2 1 371.489 0.170 20 0 FCADMP Cn1cc([C@@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@@H]2CO)cn1 ZINC001551236461 1268217060 /nfs/dbraw/zinc/21/70/60/1268217060.db2.gz SOLRNFJCUAIPSL-MSOLQXFVSA-N 2 1 371.489 0.170 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC001551277993 1268221813 /nfs/dbraw/zinc/22/18/13/1268221813.db2.gz SIAGIUXPRAWCOE-RMXPPQQLSA-N 2 1 366.506 0.480 20 0 FCADMP CCn1c(C2CC[NH+](CCO)CC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001339435317 1268237004 /nfs/dbraw/zinc/23/70/04/1268237004.db2.gz QKDPCQGJGKCYEI-UHFFFAOYSA-N 2 1 366.510 0.238 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CCOC ZINC001551466425 1268257142 /nfs/dbraw/zinc/25/71/42/1268257142.db2.gz XYVXLNKVFJYYSR-DLBZAZTESA-N 2 1 368.522 0.897 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)CC1 ZINC001551465629 1268257308 /nfs/dbraw/zinc/25/73/08/1268257308.db2.gz YECOTPVZMMIGKM-DLBZAZTESA-N 2 1 365.522 0.176 20 0 FCADMP O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001551489319 1268260588 /nfs/dbraw/zinc/26/05/88/1268260588.db2.gz BWQZYLLAZSXYMR-MJEZEWASSA-N 2 1 372.469 0.703 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551559013 1268269620 /nfs/dbraw/zinc/26/96/20/1268269620.db2.gz FPRVJWBGUXTAHV-XLMAVXFVSA-N 2 1 363.506 0.559 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551559001 1268270233 /nfs/dbraw/zinc/27/02/33/1268270233.db2.gz FPRVJWBGUXTAHV-CVYDXHPNSA-N 2 1 363.506 0.559 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551561748 1268271865 /nfs/dbraw/zinc/27/18/65/1268271865.db2.gz KKDOPFIQFZYZKG-NUJGCVRESA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551573477 1268274521 /nfs/dbraw/zinc/27/45/21/1268274521.db2.gz WPEXEXJTEZOHMR-ZMSDIMECSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551574418 1268274785 /nfs/dbraw/zinc/27/47/85/1268274785.db2.gz IQWHLOAGRRITIT-DBQDNQAGSA-N 2 1 351.495 0.498 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934870 1268312452 /nfs/dbraw/zinc/31/24/52/1268312452.db2.gz CSRZDMUIJPKLAC-KLHDSHLOSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)N(c2cc(N)[nH+]cn2)C1 ZINC001551934870 1268312464 /nfs/dbraw/zinc/31/24/64/1268312464.db2.gz CSRZDMUIJPKLAC-KLHDSHLOSA-N 2 1 374.489 0.786 20 0 FCADMP CO[C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939474 1268314959 /nfs/dbraw/zinc/31/49/59/1268314959.db2.gz MVIUDVCQTAJWDK-CABCVRRESA-N 2 1 362.478 0.501 20 0 FCADMP CO[C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)[nH+]cn2)C1 ZINC001551942846 1268318991 /nfs/dbraw/zinc/31/89/91/1268318991.db2.gz YTCQIBSXJKNSCW-GJZGRUSLSA-N 2 1 374.489 0.645 20 0 FCADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC001552014925 1268352788 /nfs/dbraw/zinc/35/27/88/1268352788.db2.gz XSRJGLNUPPNAHQ-GOEBONIOSA-N 2 1 364.494 0.881 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)C1 ZINC001552096924 1268371848 /nfs/dbraw/zinc/37/18/48/1268371848.db2.gz XGCZJLYZQQTERS-BRSBDYLESA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)C1 ZINC001552096924 1268371860 /nfs/dbraw/zinc/37/18/60/1268371860.db2.gz XGCZJLYZQQTERS-BRSBDYLESA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1 ZINC001552096924 1268371870 /nfs/dbraw/zinc/37/18/70/1268371870.db2.gz XGCZJLYZQQTERS-BRSBDYLESA-N 2 1 368.522 0.630 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)CC1(C)C ZINC001552135078 1268391584 /nfs/dbraw/zinc/39/15/84/1268391584.db2.gz DMAFSKNANRULLF-GVDBMIGSSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1(C)C ZINC001552135078 1268391596 /nfs/dbraw/zinc/39/15/96/1268391596.db2.gz DMAFSKNANRULLF-GVDBMIGSSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1(C)C ZINC001552135078 1268391605 /nfs/dbraw/zinc/39/16/05/1268391605.db2.gz DMAFSKNANRULLF-GVDBMIGSSA-N 2 1 367.538 0.299 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)nn1 ZINC001552167975 1268398821 /nfs/dbraw/zinc/39/88/21/1268398821.db2.gz UYLCQFYUBGCMQL-HLLBOEOZSA-N 2 1 373.461 0.349 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cnn1C ZINC001552167859 1268399907 /nfs/dbraw/zinc/39/99/07/1268399907.db2.gz KJKBTPUWJBJZFF-WDSOQIARSA-N 2 1 374.533 0.270 20 0 FCADMP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[N@H+](C)Cc3ccccc32)nn1 ZINC001552177827 1268403002 /nfs/dbraw/zinc/40/30/02/1268403002.db2.gz HVZUARBUFFOODP-YJBOKZPZSA-N 2 1 370.457 0.459 20 0 FCADMP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[N@@H+](C)Cc3ccccc32)nn1 ZINC001552177827 1268403004 /nfs/dbraw/zinc/40/30/04/1268403004.db2.gz HVZUARBUFFOODP-YJBOKZPZSA-N 2 1 370.457 0.459 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@H+]1CCOC ZINC001552179588 1268403905 /nfs/dbraw/zinc/40/39/05/1268403905.db2.gz LECXYNOGZWXBRQ-NJAFHUGGSA-N 2 1 363.506 0.601 20 0 FCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)cn1 ZINC001552205176 1268409136 /nfs/dbraw/zinc/40/91/36/1268409136.db2.gz ZPJJHUVXGVUWHM-MJGOQNOKSA-N 2 1 361.490 0.563 20 0 FCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)cn1 ZINC001552205176 1268409144 /nfs/dbraw/zinc/40/91/44/1268409144.db2.gz ZPJJHUVXGVUWHM-MJGOQNOKSA-N 2 1 361.490 0.563 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2CNC(=O)[C@@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC001552202700 1268409226 /nfs/dbraw/zinc/40/92/26/1268409226.db2.gz AYSANMOBKVUSJT-RBSFLKMASA-N 2 1 364.469 0.965 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2CNC(=O)[C@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC001552202704 1268409616 /nfs/dbraw/zinc/40/96/16/1268409616.db2.gz AYSANMOBKVUSJT-ZNMIVQPWSA-N 2 1 364.469 0.965 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001340123823 1268443431 /nfs/dbraw/zinc/44/34/31/1268443431.db2.gz XLYDBIPMVNVWMV-MRXNPFEDSA-N 2 1 358.486 0.571 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC001340123823 1268443435 /nfs/dbraw/zinc/44/34/35/1268443435.db2.gz XLYDBIPMVNVWMV-MRXNPFEDSA-N 2 1 358.486 0.571 20 0 FCADMP COCC[NH2+]CCNC(=O)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC001340128025 1268444433 /nfs/dbraw/zinc/44/44/33/1268444433.db2.gz JHTDBOAZEHTXGF-CYBMUJFWSA-N 2 1 360.252 0.810 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272974 1268493873 /nfs/dbraw/zinc/49/38/73/1268493873.db2.gz OVOKWDVMDBOAKQ-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272974 1268493876 /nfs/dbraw/zinc/49/38/76/1268493876.db2.gz OVOKWDVMDBOAKQ-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272974 1268493881 /nfs/dbraw/zinc/49/38/81/1268493881.db2.gz OVOKWDVMDBOAKQ-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340272974 1268493889 /nfs/dbraw/zinc/49/38/89/1268493889.db2.gz OVOKWDVMDBOAKQ-OWCLPIDISA-N 2 1 351.499 0.703 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001552764016 1268540344 /nfs/dbraw/zinc/54/03/44/1268540344.db2.gz PLKHQBXOEFXIFW-VVLHAWIVSA-N 2 1 351.491 0.639 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC001552835181 1268556534 /nfs/dbraw/zinc/55/65/34/1268556534.db2.gz LNKDATNNPDAJCR-PXNSSMCTSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375470 1268639745 /nfs/dbraw/zinc/63/97/45/1268639745.db2.gz XBGAWUMVAQUGMC-FXAWDEMLSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375470 1268639755 /nfs/dbraw/zinc/63/97/55/1268639755.db2.gz XBGAWUMVAQUGMC-FXAWDEMLSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@@H]2C1 ZINC001553383556 1268640038 /nfs/dbraw/zinc/64/00/38/1268640038.db2.gz QMTBNVFYVXHHMP-KDOFPFPSSA-N 2 1 364.877 0.727 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553384807 1268640856 /nfs/dbraw/zinc/64/08/56/1268640856.db2.gz XELXSJSRDSZNMS-BEFAXECRSA-N 2 1 360.458 0.542 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@H]2C1 ZINC001553383554 1268641270 /nfs/dbraw/zinc/64/12/70/1268641270.db2.gz QMTBNVFYVXHHMP-KBXCAEBGSA-N 2 1 364.877 0.727 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccccc3Cl)C[NH2+]C[C@H]2C1 ZINC001553385274 1268642813 /nfs/dbraw/zinc/64/28/13/1268642813.db2.gz ZVOZHTYZWGXVFJ-UGSOOPFHSA-N 2 1 364.877 0.727 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553405799 1268646231 /nfs/dbraw/zinc/64/62/31/1268646231.db2.gz DPHCKEKDUZJSEI-UFYCRDLUSA-N 2 1 372.513 0.960 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)CC1 ZINC001553426571 1268648443 /nfs/dbraw/zinc/64/84/43/1268648443.db2.gz JXBPLOIUHNRHLZ-KDURUIRLSA-N 2 1 363.506 0.326 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC001553449734 1268651389 /nfs/dbraw/zinc/65/13/89/1268651389.db2.gz NPQDONXWNBQBOG-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553448755 1268651513 /nfs/dbraw/zinc/65/15/13/1268651513.db2.gz CVVNRVAVFNMAEG-FGTMMUONSA-N 2 1 365.522 0.034 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC001553449726 1268652034 /nfs/dbraw/zinc/65/20/34/1268652034.db2.gz NPQDONXWNBQBOG-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553451392 1268652750 /nfs/dbraw/zinc/65/27/50/1268652750.db2.gz SRZUDBHPCUNDPT-CABCVRRESA-N 2 1 351.495 0.180 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC001553460700 1268654816 /nfs/dbraw/zinc/65/48/16/1268654816.db2.gz AKTLAGGGQRQBBI-LESCRADOSA-N 2 1 354.495 0.493 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001553460700 1268654823 /nfs/dbraw/zinc/65/48/23/1268654823.db2.gz AKTLAGGGQRQBBI-LESCRADOSA-N 2 1 354.495 0.493 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001553509447 1268660969 /nfs/dbraw/zinc/66/09/69/1268660969.db2.gz VNEGJPHTKUSKKO-FPCVCCKLSA-N 2 1 354.495 0.552 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340806062 1268664404 /nfs/dbraw/zinc/66/44/04/1268664404.db2.gz ZYFDQOOXMBMRBQ-FQEVSTJZSA-N 2 1 374.485 0.195 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001340902376 1268701698 /nfs/dbraw/zinc/70/16/98/1268701698.db2.gz WUDWGEVUDPBEPB-LJQANCHMSA-N 2 1 357.458 0.043 20 0 FCADMP Cc1c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)cnn1-c1cc[nH+]cc1 ZINC001553829552 1268722622 /nfs/dbraw/zinc/72/26/22/1268722622.db2.gz LWYUTHRRSXGKJG-SJORKVTESA-N 2 1 366.429 0.795 20 0 FCADMP CCC[C@@H]1CN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC001341293305 1268921286 /nfs/dbraw/zinc/92/12/86/1268921286.db2.gz FNCZLZBNMRTULG-NVXWUHKLSA-N 2 1 356.511 0.435 20 0 FCADMP C[C@H]([NH3+])C1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOCC1 ZINC001341399279 1268973924 /nfs/dbraw/zinc/97/39/24/1268973924.db2.gz CTEVNRVYJWZLPW-ARFHVFGLSA-N 2 1 351.491 0.890 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001341569183 1269087495 /nfs/dbraw/zinc/08/74/95/1269087495.db2.gz JSCNRJQKQSJBKI-INIZCTEOSA-N 2 1 352.504 0.712 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001341569183 1269087499 /nfs/dbraw/zinc/08/74/99/1269087499.db2.gz JSCNRJQKQSJBKI-INIZCTEOSA-N 2 1 352.504 0.712 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]34CC[C@H]3C[NH2+]C4)cc2)CC1 ZINC001341568930 1269087813 /nfs/dbraw/zinc/08/78/13/1269087813.db2.gz FGXUNNTUJOICJF-JXFKEZNVSA-N 2 1 356.470 0.941 20 0 FCADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001341579112 1269092026 /nfs/dbraw/zinc/09/20/26/1269092026.db2.gz GSRXCTRQXZMFMF-IVMMDQJWSA-N 2 1 360.462 0.754 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001341718053 1269168512 /nfs/dbraw/zinc/16/85/12/1269168512.db2.gz ZIBVHSLDMFODSF-QGZVFWFLSA-N 2 1 352.454 0.863 20 0 FCADMP COCCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001341836908 1269238084 /nfs/dbraw/zinc/23/80/84/1269238084.db2.gz AWPDBNBAHJNEHT-HOTGVXAUSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001341836908 1269238094 /nfs/dbraw/zinc/23/80/94/1269238094.db2.gz AWPDBNBAHJNEHT-HOTGVXAUSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001341836908 1269238104 /nfs/dbraw/zinc/23/81/04/1269238104.db2.gz AWPDBNBAHJNEHT-HOTGVXAUSA-N 2 1 364.494 0.255 20 0 FCADMP COCCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001341836908 1269238114 /nfs/dbraw/zinc/23/81/14/1269238114.db2.gz AWPDBNBAHJNEHT-HOTGVXAUSA-N 2 1 364.494 0.255 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037537 1269405422 /nfs/dbraw/zinc/40/54/22/1269405422.db2.gz OIOBTCXPTJPQAC-IAGOWNOFSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037537 1269405427 /nfs/dbraw/zinc/40/54/27/1269405427.db2.gz OIOBTCXPTJPQAC-IAGOWNOFSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037537 1269405430 /nfs/dbraw/zinc/40/54/30/1269405430.db2.gz OIOBTCXPTJPQAC-IAGOWNOFSA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC001343036088 1269742827 /nfs/dbraw/zinc/74/28/27/1269742827.db2.gz CDSBDJKADROFNE-KDOFPFPSSA-N 2 1 372.469 0.922 20 0 FCADMP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001569418858 1269782465 /nfs/dbraw/zinc/78/24/65/1269782465.db2.gz KDLJQEKXRGIKLP-KURKYZTESA-N 2 1 361.486 0.578 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C[C@H]1O ZINC001572854966 1270271250 /nfs/dbraw/zinc/27/12/50/1270271250.db2.gz LMNHYTBHCNIUGO-IXDOHACOSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1O ZINC001572854966 1270271261 /nfs/dbraw/zinc/27/12/61/1270271261.db2.gz LMNHYTBHCNIUGO-IXDOHACOSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1O ZINC001572854966 1270271270 /nfs/dbraw/zinc/27/12/70/1270271270.db2.gz LMNHYTBHCNIUGO-IXDOHACOSA-N 2 1 368.522 0.137 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001572955982 1270403791 /nfs/dbraw/zinc/40/37/91/1270403791.db2.gz VYNZOPNJZLLFMX-IAGOWNOFSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001572955982 1270403795 /nfs/dbraw/zinc/40/37/95/1270403795.db2.gz VYNZOPNJZLLFMX-IAGOWNOFSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001572955982 1270403800 /nfs/dbraw/zinc/40/38/00/1270403800.db2.gz VYNZOPNJZLLFMX-IAGOWNOFSA-N 2 1 366.506 0.297 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC ZINC001572962260 1270416581 /nfs/dbraw/zinc/41/65/81/1270416581.db2.gz NATUDYHATWLKLZ-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001573982003 1270974981 /nfs/dbraw/zinc/97/49/81/1270974981.db2.gz LFJVBMFWBHANJN-XPKDYRNWSA-N 2 1 372.477 0.789 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288577 1271165295 /nfs/dbraw/zinc/16/52/95/1271165295.db2.gz KUJYTFIBLYGKDK-BBRMVZONSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574603277 1271407840 /nfs/dbraw/zinc/40/78/40/1271407840.db2.gz BLQLWIAWAJOQAY-STQMWFEESA-N 2 1 358.450 0.332 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580655567 1278637862 /nfs/dbraw/zinc/63/78/62/1278637862.db2.gz ZLSSDDSAKSKYIJ-GOSISDBHSA-N 2 1 357.502 0.950 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001574780184 1271514237 /nfs/dbraw/zinc/51/42/37/1271514237.db2.gz XYJNOGQHVMLUQG-CQSZACIVSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786633 1271521210 /nfs/dbraw/zinc/52/12/10/1271521210.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574786633 1271521215 /nfs/dbraw/zinc/52/12/15/1271521215.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574786633 1271521223 /nfs/dbraw/zinc/52/12/23/1271521223.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574803219 1271540921 /nfs/dbraw/zinc/54/09/21/1271540921.db2.gz BLKWKHPGPJLYNJ-CHWSQXEVSA-N 2 1 358.450 0.544 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870874 1271622453 /nfs/dbraw/zinc/62/24/53/1271622453.db2.gz DWQRNCQVJDPTGG-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870694 1271622551 /nfs/dbraw/zinc/62/25/51/1271622551.db2.gz CTDYRYNZTRBANZ-IAQYHMDHSA-N 2 1 361.425 0.694 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874717 1271626914 /nfs/dbraw/zinc/62/69/14/1271626914.db2.gz UPJLMKHEZGSDPR-WFASDCNBSA-N 2 1 358.450 0.473 20 0 FCADMP CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195712 1271781342 /nfs/dbraw/zinc/78/13/42/1271781342.db2.gz MMNWTLIHFUOLLO-CRAIPNDOSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](C[C@@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198940 1271781972 /nfs/dbraw/zinc/78/19/72/1271781972.db2.gz UEATZRIUUUKVJV-MSOLQXFVSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](C[C@@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198940 1271781977 /nfs/dbraw/zinc/78/19/77/1271781977.db2.gz UEATZRIUUUKVJV-MSOLQXFVSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575367719 1272008521 /nfs/dbraw/zinc/00/85/21/1272008521.db2.gz QPIGEKZLBSMYSX-GJZGRUSLSA-N 2 1 364.494 0.430 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575367719 1272008533 /nfs/dbraw/zinc/00/85/33/1272008533.db2.gz QPIGEKZLBSMYSX-GJZGRUSLSA-N 2 1 364.494 0.430 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419482 1272076857 /nfs/dbraw/zinc/07/68/57/1272076857.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCc2c[nH]nn2)C1 ZINC001575419482 1272076865 /nfs/dbraw/zinc/07/68/65/1272076865.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575419482 1272076875 /nfs/dbraw/zinc/07/68/75/1272076875.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419482 1272076890 /nfs/dbraw/zinc/07/68/90/1272076890.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419482 1272076903 /nfs/dbraw/zinc/07/69/03/1272076903.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001575419482 1272076912 /nfs/dbraw/zinc/07/69/12/1272076912.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575419482 1272076921 /nfs/dbraw/zinc/07/69/21/1272076921.db2.gz APVTYEFIUFJRPP-SJLPKXTDSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420451 1272077159 /nfs/dbraw/zinc/07/71/59/1272077159.db2.gz LBTJODRFFVRTQC-IAGOWNOFSA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420451 1272077169 /nfs/dbraw/zinc/07/71/69/1272077169.db2.gz LBTJODRFFVRTQC-IAGOWNOFSA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420451 1272077179 /nfs/dbraw/zinc/07/71/79/1272077179.db2.gz LBTJODRFFVRTQC-IAGOWNOFSA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420450 1272077294 /nfs/dbraw/zinc/07/72/94/1272077294.db2.gz LBTJODRFFVRTQC-DLBZAZTESA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420450 1272077305 /nfs/dbraw/zinc/07/73/05/1272077305.db2.gz LBTJODRFFVRTQC-DLBZAZTESA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420450 1272077315 /nfs/dbraw/zinc/07/73/15/1272077315.db2.gz LBTJODRFFVRTQC-DLBZAZTESA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2(C3(O)CC[NH2+]CC3)CCC2)C1 ZINC001575600764 1272226561 /nfs/dbraw/zinc/22/65/61/1272226561.db2.gz JUNYHOIBRMIWHK-MRXNPFEDSA-N 2 1 353.507 0.744 20 0 FCADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575681356 1272293966 /nfs/dbraw/zinc/29/39/66/1272293966.db2.gz DIAPZQXOYIYRQW-ZIAGYGMSSA-N 2 1 370.523 0.058 20 0 FCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CC2(C[NH2+]C2)C1 ZINC001580682648 1278706446 /nfs/dbraw/zinc/70/64/46/1278706446.db2.gz KAWBCWYTTSKZGB-UHFFFAOYSA-N 2 1 357.502 0.809 20 0 FCADMP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC001576030224 1272736545 /nfs/dbraw/zinc/73/65/45/1272736545.db2.gz VSYUWFNANMBTNJ-FUHIMQAGSA-N 2 1 358.486 0.692 20 0 FCADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576132754 1272933429 /nfs/dbraw/zinc/93/34/29/1272933429.db2.gz UNTRVQXBNBINSA-STQMWFEESA-N 2 1 358.450 0.687 20 0 FCADMP CC[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1c[nH]nn1)CC2)[NH+](C)C ZINC001576182622 1272978697 /nfs/dbraw/zinc/97/86/97/1272978697.db2.gz APBIVDWTRWZFFA-HZPDHXFCSA-N 2 1 364.494 0.632 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500284 1273364089 /nfs/dbraw/zinc/36/40/89/1273364089.db2.gz XMJRRMIHDZXGRD-CVEARBPZSA-N 2 1 357.462 0.897 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@]2(C)C1 ZINC001576521396 1273406322 /nfs/dbraw/zinc/40/63/22/1273406322.db2.gz FTDMPWBLTOWPGN-HFTRVMKXSA-N 2 1 366.485 0.807 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001576521396 1273406326 /nfs/dbraw/zinc/40/63/26/1273406326.db2.gz FTDMPWBLTOWPGN-HFTRVMKXSA-N 2 1 366.485 0.807 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001576521396 1273406330 /nfs/dbraw/zinc/40/63/30/1273406330.db2.gz FTDMPWBLTOWPGN-HFTRVMKXSA-N 2 1 366.485 0.807 20 0 FCADMP C[C@@]1([NH+]2CCOCC2)CCN(c2nnc([C@H]3CCOC3)n2CCC[NH3+])C1 ZINC001576534521 1273421446 /nfs/dbraw/zinc/42/14/46/1273421446.db2.gz GFCOHEKXALEYDI-MAUKXSAKSA-N 2 1 364.494 0.432 20 0 FCADMP CCOCC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001576581558 1273460633 /nfs/dbraw/zinc/46/06/33/1273460633.db2.gz BASRMGCJBKHRFI-QGZVFWFLSA-N 2 1 364.494 0.728 20 0 FCADMP CCOCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001576581558 1273460639 /nfs/dbraw/zinc/46/06/39/1273460639.db2.gz BASRMGCJBKHRFI-QGZVFWFLSA-N 2 1 364.494 0.728 20 0 FCADMP CCOCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001576581558 1273460642 /nfs/dbraw/zinc/46/06/42/1273460642.db2.gz BASRMGCJBKHRFI-QGZVFWFLSA-N 2 1 364.494 0.728 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576792452 1273693841 /nfs/dbraw/zinc/69/38/41/1273693841.db2.gz VFLQTVQNDLROBD-CJNGLKHVSA-N 2 1 372.477 0.783 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576794289 1273698225 /nfs/dbraw/zinc/69/82/25/1273698225.db2.gz DUELENXRHQOBGK-HOTGVXAUSA-N 2 1 357.462 0.803 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797227 1273701980 /nfs/dbraw/zinc/70/19/80/1273701980.db2.gz UXKZJABDMWNSJJ-JKSUJKDBSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797227 1273701984 /nfs/dbraw/zinc/70/19/84/1273701984.db2.gz UXKZJABDMWNSJJ-JKSUJKDBSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1C[NH3+] ZINC001576801688 1273708243 /nfs/dbraw/zinc/70/82/43/1273708243.db2.gz SXCCCCVSWBCGOT-CHWSQXEVSA-N 2 1 354.476 0.579 20 0 FCADMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805590 1273713044 /nfs/dbraw/zinc/71/30/44/1273713044.db2.gz IQSFXAQSDZWPFH-ZIAGYGMSSA-N 2 1 372.477 0.641 20 0 FCADMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824099 1273747589 /nfs/dbraw/zinc/74/75/89/1273747589.db2.gz QETGUMDACGRPOI-ZDUSSCGKSA-N 2 1 374.493 0.968 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576847111 1273792112 /nfs/dbraw/zinc/79/21/12/1273792112.db2.gz CANPRHIOSPUNQY-JKSUJKDBSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001576847197 1273793054 /nfs/dbraw/zinc/79/30/54/1273793054.db2.gz ZPRUWUVTTJYPIN-ARFHVFGLSA-N 2 1 364.494 0.635 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH3+])C1 ZINC001576995066 1274028753 /nfs/dbraw/zinc/02/87/53/1274028753.db2.gz IKKHWPJQGMCRLH-LSDHHAIUSA-N 2 1 365.526 0.932 20 0 FCADMP CC[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001577137629 1274189115 /nfs/dbraw/zinc/18/91/15/1274189115.db2.gz GNJNOWPAINMRPN-LSDHHAIUSA-N 2 1 352.483 0.288 20 0 FCADMP CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCO[C@@H](C[NH3+])C2)C1 ZINC001577530281 1274474708 /nfs/dbraw/zinc/47/47/08/1274474708.db2.gz ISKLGIXGAXAFRQ-CVEARBPZSA-N 2 1 366.510 0.710 20 0 FCADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1 ZINC001577535901 1274477678 /nfs/dbraw/zinc/47/76/78/1274477678.db2.gz KDTNEXUJABCGDJ-GJZGRUSLSA-N 2 1 361.494 0.513 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550367 1274489369 /nfs/dbraw/zinc/48/93/69/1274489369.db2.gz DVHUHJSXCVADMY-QWHCGFSZSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577553575 1274493193 /nfs/dbraw/zinc/49/31/93/1274493193.db2.gz CIUIYUDJDDJZDT-CQSZACIVSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577560429 1274507589 /nfs/dbraw/zinc/50/75/89/1274507589.db2.gz DXLLYTNJADVKAC-OAHLLOKOSA-N 2 1 358.450 0.332 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577561122 1274509617 /nfs/dbraw/zinc/50/96/17/1274509617.db2.gz QQGNSMRPTUNJRL-INIZCTEOSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563622 1274517732 /nfs/dbraw/zinc/51/77/32/1274517732.db2.gz VAAVOFOHPASZGC-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577567999 1274526124 /nfs/dbraw/zinc/52/61/24/1274526124.db2.gz KPWPTLMCCIOJSD-UHFFFAOYSA-N 2 1 360.466 0.888 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577612713 1274588716 /nfs/dbraw/zinc/58/87/16/1274588716.db2.gz JGIWCXNMFQOMOF-ZIAGYGMSSA-N 2 1 372.477 0.935 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577612713 1274588720 /nfs/dbraw/zinc/58/87/20/1274588720.db2.gz JGIWCXNMFQOMOF-ZIAGYGMSSA-N 2 1 372.477 0.935 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667538 1274690547 /nfs/dbraw/zinc/69/05/47/1274690547.db2.gz DWJDUSWDHZKDSX-XJKSGUPXSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577672947 1274705580 /nfs/dbraw/zinc/70/55/80/1274705580.db2.gz DJMPQGDWDCWPSO-WFASDCNBSA-N 2 1 358.450 0.475 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673366 1274709336 /nfs/dbraw/zinc/70/93/36/1274709336.db2.gz JTZUECMZNDFFDU-ZENOOKHLSA-N 2 1 370.461 0.617 20 0 FCADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC001577730959 1274808187 /nfs/dbraw/zinc/80/81/87/1274808187.db2.gz BBIHHTOUJFHWOJ-ZFWWWQNUSA-N 2 1 361.494 0.512 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755609 1274834243 /nfs/dbraw/zinc/83/42/43/1274834243.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1c[nH]nn1)C2 ZINC001577755609 1274834251 /nfs/dbraw/zinc/83/42/51/1274834251.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1c[nH]nn1)C2 ZINC001577755609 1274834267 /nfs/dbraw/zinc/83/42/67/1274834267.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755609 1274834274 /nfs/dbraw/zinc/83/42/74/1274834274.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755609 1274834282 /nfs/dbraw/zinc/83/42/82/1274834282.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1cn[nH]n1)C2 ZINC001577755609 1274834294 /nfs/dbraw/zinc/83/42/94/1274834294.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1cn[nH]n1)C2 ZINC001577755609 1274834307 /nfs/dbraw/zinc/83/43/07/1274834307.db2.gz YEXQENLKFKAPKU-SJORKVTESA-N 2 1 358.490 0.898 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001577763575 1274845595 /nfs/dbraw/zinc/84/55/95/1274845595.db2.gz FMAFDKLACIJTNN-CABCVRRESA-N 2 1 356.478 0.862 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001577764263 1274847681 /nfs/dbraw/zinc/84/76/81/1274847681.db2.gz WCGNTBWDHBSCOE-SOUVJXGZSA-N 2 1 361.494 0.103 20 0 FCADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3C[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775995 1274867182 /nfs/dbraw/zinc/86/71/82/1274867182.db2.gz UWYRXHJHKRMOPS-ROUUACIJSA-N 2 1 361.538 0.802 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)C[C@@H]1C ZINC001577780736 1274875328 /nfs/dbraw/zinc/87/53/28/1274875328.db2.gz DYAORUVQOIAPDN-KBPBESRZSA-N 2 1 359.482 0.410 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577851794 1274988717 /nfs/dbraw/zinc/98/87/17/1274988717.db2.gz BURUOXKDEOCRCA-UHFFFAOYSA-N 2 1 372.477 0.818 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577855773 1275010319 /nfs/dbraw/zinc/01/03/19/1275010319.db2.gz PMTMJLJPNYGFOW-TZMCWYRMSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860678 1275024286 /nfs/dbraw/zinc/02/42/86/1275024286.db2.gz YRFDCDJSMYAWIT-HNNXBMFYSA-N 2 1 358.450 0.332 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577862604 1275031818 /nfs/dbraw/zinc/03/18/18/1275031818.db2.gz GWMRLZPGYUAUMU-OAHLLOKOSA-N 2 1 372.477 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577862604 1275031827 /nfs/dbraw/zinc/03/18/27/1275031827.db2.gz GWMRLZPGYUAUMU-OAHLLOKOSA-N 2 1 372.477 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577863498 1275038270 /nfs/dbraw/zinc/03/82/70/1275038270.db2.gz WSPIHOHUODQQKA-ZDUSSCGKSA-N 2 1 360.466 0.853 20 0 FCADMP CC[NH2+]CCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577868722 1275053678 /nfs/dbraw/zinc/05/36/78/1275053678.db2.gz FWQSAKXIBACXEE-JKSUJKDBSA-N 2 1 364.494 0.302 20 0 FCADMP CC[NH2+]CCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577868722 1275053683 /nfs/dbraw/zinc/05/36/83/1275053683.db2.gz FWQSAKXIBACXEE-JKSUJKDBSA-N 2 1 364.494 0.302 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577871795 1275060056 /nfs/dbraw/zinc/06/00/56/1275060056.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577871795 1275060062 /nfs/dbraw/zinc/06/00/62/1275060062.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577871795 1275060068 /nfs/dbraw/zinc/06/00/68/1275060068.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577957507 1275179868 /nfs/dbraw/zinc/17/98/68/1275179868.db2.gz GYCGMMILZFLLQZ-CYBMUJFWSA-N 2 1 358.450 0.546 20 0 FCADMP CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577958483 1275182004 /nfs/dbraw/zinc/18/20/04/1275182004.db2.gz RPAXPZKCMRBGMT-AWEZNQCLSA-N 2 1 372.477 0.854 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577976063 1275202167 /nfs/dbraw/zinc/20/21/67/1275202167.db2.gz NPTVGXNFSQDUQR-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578055038 1275346337 /nfs/dbraw/zinc/34/63/37/1275346337.db2.gz DYUKXRJZKQJQES-CQSZACIVSA-N 2 1 358.450 0.607 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578129658 1275428412 /nfs/dbraw/zinc/42/84/12/1275428412.db2.gz KSQNWQGMVUGQJT-KEYYUXOJSA-N 2 1 352.483 0.055 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001578136218 1275435366 /nfs/dbraw/zinc/43/53/66/1275435366.db2.gz OHFCAIJDHCFQPC-INIZCTEOSA-N 2 1 372.477 0.818 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578221178 1275519350 /nfs/dbraw/zinc/51/93/50/1275519350.db2.gz OEFNWJJLEORAHZ-OAHLLOKOSA-N 2 1 372.477 0.997 20 0 FCADMP CCc1nnc(N2CC[C@H]([NH2+]C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001578314872 1275655384 /nfs/dbraw/zinc/65/53/84/1275655384.db2.gz FGGMVNDDUNEXCT-SJORKVTESA-N 2 1 363.554 0.912 20 0 FCADMP CN(C)C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412496 1275783497 /nfs/dbraw/zinc/78/34/97/1275783497.db2.gz OBQOKZYGEZVDEZ-IAGOWNOFSA-N 2 1 352.523 0.759 20 0 FCADMP CN(C)C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001578412496 1275783501 /nfs/dbraw/zinc/78/35/01/1275783501.db2.gz OBQOKZYGEZVDEZ-IAGOWNOFSA-N 2 1 352.523 0.759 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578443792 1275827773 /nfs/dbraw/zinc/82/77/73/1275827773.db2.gz DQXRFYHOBAEWBZ-SWLSCSKDSA-N 2 1 358.450 0.284 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578444747 1275831510 /nfs/dbraw/zinc/83/15/10/1275831510.db2.gz ZHTISSRMRUYHMU-XJKSGUPXSA-N 2 1 372.477 0.674 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@H](C[NH3+])C2)C1 ZINC001578525603 1275957508 /nfs/dbraw/zinc/95/75/08/1275957508.db2.gz JPXSKZXRQJEQEA-KDOFPFPSSA-N 2 1 357.462 0.192 20 0 FCADMP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578524253 1275958275 /nfs/dbraw/zinc/95/82/75/1275958275.db2.gz CANAKPXTURPFKE-RCCFBDPRSA-N 2 1 352.523 0.770 20 0 FCADMP CN(CCCCCO)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578525951 1275959267 /nfs/dbraw/zinc/95/92/67/1275959267.db2.gz VAJWWZVNSCZAJY-RVKKMQEKSA-N 2 1 366.510 0.148 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528713 1275959521 /nfs/dbraw/zinc/95/95/21/1275959521.db2.gz LCTXTQNOZUNSBI-QWHCGFSZSA-N 2 1 351.417 0.464 20 0 FCADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529744 1275962443 /nfs/dbraw/zinc/96/24/43/1275962443.db2.gz ZHRPTHUTVZXIML-IAGOWNOFSA-N 2 1 356.470 0.798 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC001578532403 1275964034 /nfs/dbraw/zinc/96/40/34/1275964034.db2.gz DMVUQVQMZHTMHB-UHFFFAOYSA-N 2 1 351.495 0.278 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC001578533618 1275964950 /nfs/dbraw/zinc/96/49/50/1275964950.db2.gz PKVDGRXAVCFUEQ-UHFFFAOYSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)CCCOC)C1 ZINC001578618007 1276052861 /nfs/dbraw/zinc/05/28/61/1276052861.db2.gz QSEFDUSIWZFKNB-JKSUJKDBSA-N 2 1 366.510 0.896 20 0 FCADMP C[NH2+]CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578720108 1276194098 /nfs/dbraw/zinc/19/40/98/1276194098.db2.gz BKERDHSWPXIQDY-OAHLLOKOSA-N 2 1 357.462 0.389 20 0 FCADMP C[NH2+]CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578720108 1276194101 /nfs/dbraw/zinc/19/41/01/1276194101.db2.gz BKERDHSWPXIQDY-OAHLLOKOSA-N 2 1 357.462 0.389 20 0 FCADMP C[NH2+]CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001578721061 1276194323 /nfs/dbraw/zinc/19/43/23/1276194323.db2.gz MIMWDPAVNQIMNY-UHFFFAOYSA-N 2 1 365.526 0.946 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCc1c[nH+]c3n1CCCC3)C2 ZINC001578842495 1276362319 /nfs/dbraw/zinc/36/23/19/1276362319.db2.gz NECDKCUKAICBCH-FHSNZYRGSA-N 2 1 361.446 0.641 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578971759 1276515990 /nfs/dbraw/zinc/51/59/90/1276515990.db2.gz JVDDVLRCEXVELV-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578971759 1276515999 /nfs/dbraw/zinc/51/59/99/1276515999.db2.gz JVDDVLRCEXVELV-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578972921 1276517933 /nfs/dbraw/zinc/51/79/33/1276517933.db2.gz FHGOSMWHYNBVIV-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[NH+](C)C ZINC001578973636 1276520773 /nfs/dbraw/zinc/52/07/73/1276520773.db2.gz WCJWOIMQZIJRTH-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001578974897 1276524804 /nfs/dbraw/zinc/52/48/04/1276524804.db2.gz WNPNFABCVCYSTA-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578977801 1276533476 /nfs/dbraw/zinc/53/34/76/1276533476.db2.gz ABKNULDPWHQPSO-ZDUSSCGKSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578977801 1276533479 /nfs/dbraw/zinc/53/34/79/1276533479.db2.gz ABKNULDPWHQPSO-ZDUSSCGKSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578980256 1276540602 /nfs/dbraw/zinc/54/06/02/1276540602.db2.gz FEAQDHCMQYAQRN-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578987714 1276556941 /nfs/dbraw/zinc/55/69/41/1276556941.db2.gz OLMZFZNNZVGTEV-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578987472 1276557463 /nfs/dbraw/zinc/55/74/63/1276557463.db2.gz FLBBYCOJDHCESQ-HALDLXJZSA-N 2 1 373.436 0.504 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001578988295 1276562065 /nfs/dbraw/zinc/56/20/65/1276562065.db2.gz UQTUAFCWDGALIB-JYAVWHMHSA-N 2 1 361.475 0.426 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579003729 1276575781 /nfs/dbraw/zinc/57/57/81/1276575781.db2.gz DHYIKOJUHOSUEY-ZDUSSCGKSA-N 2 1 370.461 0.428 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001579021264 1276599174 /nfs/dbraw/zinc/59/91/74/1276599174.db2.gz LJDQCBXQSLYUOC-CABCVRRESA-N 2 1 359.478 0.702 20 0 FCADMP COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579021644 1276599969 /nfs/dbraw/zinc/59/99/69/1276599969.db2.gz NVMKICKHHBBMBM-MRXNPFEDSA-N 2 1 359.478 0.846 20 0 FCADMP COCC[NH+](CCOC)C1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC001579032657 1276619558 /nfs/dbraw/zinc/61/95/58/1276619558.db2.gz CMTQTAJQWPLLCJ-UHFFFAOYSA-N 2 1 356.492 0.801 20 0 FCADMP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579126881 1276806413 /nfs/dbraw/zinc/80/64/13/1276806413.db2.gz GXHNNASSQYXFLS-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579133560 1276831306 /nfs/dbraw/zinc/83/13/06/1276831306.db2.gz YOPVJKCLSPKTDS-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579133560 1276831321 /nfs/dbraw/zinc/83/13/21/1276831321.db2.gz YOPVJKCLSPKTDS-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579133560 1276831333 /nfs/dbraw/zinc/83/13/33/1276831333.db2.gz YOPVJKCLSPKTDS-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001579133562 1276832662 /nfs/dbraw/zinc/83/26/62/1276832662.db2.gz YOPVJKCLSPKTDS-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579133562 1276832680 /nfs/dbraw/zinc/83/26/80/1276832680.db2.gz YOPVJKCLSPKTDS-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579133562 1276832696 /nfs/dbraw/zinc/83/26/96/1276832696.db2.gz YOPVJKCLSPKTDS-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579133646 1276835175 /nfs/dbraw/zinc/83/51/75/1276835175.db2.gz ZQEFPFRQQQQVRW-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579133646 1276835196 /nfs/dbraw/zinc/83/51/96/1276835196.db2.gz ZQEFPFRQQQQVRW-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579133646 1276835211 /nfs/dbraw/zinc/83/52/11/1276835211.db2.gz ZQEFPFRQQQQVRW-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177221 1276938686 /nfs/dbraw/zinc/93/86/86/1276938686.db2.gz AJHMEHMYEIAMGG-UHFFFAOYSA-N 2 1 373.461 0.137 20 0 FCADMP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)Cc1ccccc1-c1nn[nH]n1 ZINC001579177221 1276938688 /nfs/dbraw/zinc/93/86/88/1276938688.db2.gz AJHMEHMYEIAMGG-UHFFFAOYSA-N 2 1 373.461 0.137 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322743 1277137061 /nfs/dbraw/zinc/13/70/61/1277137061.db2.gz GKLBBTPTHWPJJB-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322743 1277137063 /nfs/dbraw/zinc/13/70/63/1277137063.db2.gz GKLBBTPTHWPJJB-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322743 1277137064 /nfs/dbraw/zinc/13/70/64/1277137064.db2.gz GKLBBTPTHWPJJB-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322742 1277137271 /nfs/dbraw/zinc/13/72/71/1277137271.db2.gz GKLBBTPTHWPJJB-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322742 1277137276 /nfs/dbraw/zinc/13/72/76/1277137276.db2.gz GKLBBTPTHWPJJB-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322742 1277137282 /nfs/dbraw/zinc/13/72/82/1277137282.db2.gz GKLBBTPTHWPJJB-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579323178 1277139237 /nfs/dbraw/zinc/13/92/37/1277139237.db2.gz QZDFIURVTJSRCL-QQFBHYJXSA-N 2 1 369.473 0.897 20 0 FCADMP CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325279 1277141645 /nfs/dbraw/zinc/14/16/45/1277141645.db2.gz GYNOKLLFYGSRJY-KGLIPLIRSA-N 2 1 370.461 0.498 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323923 1277143808 /nfs/dbraw/zinc/14/38/08/1277143808.db2.gz ZFNXDABZIJFIGY-CHWSQXEVSA-N 2 1 356.434 0.251 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323923 1277143809 /nfs/dbraw/zinc/14/38/09/1277143809.db2.gz ZFNXDABZIJFIGY-CHWSQXEVSA-N 2 1 356.434 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579325464 1277148131 /nfs/dbraw/zinc/14/81/31/1277148131.db2.gz CWQBBQUNPWPODO-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326580 1277149763 /nfs/dbraw/zinc/14/97/63/1277149763.db2.gz PQIAQFMQWUTYBD-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326580 1277149765 /nfs/dbraw/zinc/14/97/65/1277149765.db2.gz PQIAQFMQWUTYBD-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326580 1277149766 /nfs/dbraw/zinc/14/97/66/1277149766.db2.gz PQIAQFMQWUTYBD-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326824 1277151850 /nfs/dbraw/zinc/15/18/50/1277151850.db2.gz MUYAKKOZHLDLQR-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327199 1277153380 /nfs/dbraw/zinc/15/33/80/1277153380.db2.gz QCQPCXKFFXEJNZ-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327199 1277153382 /nfs/dbraw/zinc/15/33/82/1277153382.db2.gz QCQPCXKFFXEJNZ-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327199 1277153383 /nfs/dbraw/zinc/15/33/83/1277153383.db2.gz QCQPCXKFFXEJNZ-IRXDYDNUSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327337 1277154161 /nfs/dbraw/zinc/15/41/61/1277154161.db2.gz QWXOBELQOJGMQR-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327743 1277155852 /nfs/dbraw/zinc/15/58/52/1277155852.db2.gz XAZKLGMPKVEPRA-CHWSQXEVSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328557 1277157371 /nfs/dbraw/zinc/15/73/71/1277157371.db2.gz CREAJFYBVGQAOT-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328557 1277157375 /nfs/dbraw/zinc/15/73/75/1277157375.db2.gz CREAJFYBVGQAOT-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328557 1277157379 /nfs/dbraw/zinc/15/73/79/1277157379.db2.gz CREAJFYBVGQAOT-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579328557 1277157383 /nfs/dbraw/zinc/15/73/83/1277157383.db2.gz CREAJFYBVGQAOT-ULQDDVLXSA-N 2 1 367.457 0.604 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327898 1277157649 /nfs/dbraw/zinc/15/76/49/1277157649.db2.gz YKFFTTQOYOVANM-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333698 1277168306 /nfs/dbraw/zinc/16/83/06/1277168306.db2.gz RYVMWRUVPXWDLS-LSDHHAIUSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333698 1277168309 /nfs/dbraw/zinc/16/83/09/1277168309.db2.gz RYVMWRUVPXWDLS-LSDHHAIUSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333698 1277168311 /nfs/dbraw/zinc/16/83/11/1277168311.db2.gz RYVMWRUVPXWDLS-LSDHHAIUSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001579333698 1277168314 /nfs/dbraw/zinc/16/83/14/1277168314.db2.gz RYVMWRUVPXWDLS-LSDHHAIUSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333863 1277168775 /nfs/dbraw/zinc/16/87/75/1277168775.db2.gz SNAVQMYJUXHRFK-VQIMIIECSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333863 1277168776 /nfs/dbraw/zinc/16/87/76/1277168776.db2.gz SNAVQMYJUXHRFK-VQIMIIECSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333863 1277168778 /nfs/dbraw/zinc/16/87/78/1277168778.db2.gz SNAVQMYJUXHRFK-VQIMIIECSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333734 1277169289 /nfs/dbraw/zinc/16/92/89/1277169289.db2.gz SNJAXOHZDYTLDV-IAGOWNOFSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579334485 1277170244 /nfs/dbraw/zinc/17/02/44/1277170244.db2.gz YADKAPYIXRDWHR-INIZCTEOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334550 1277170412 /nfs/dbraw/zinc/17/04/12/1277170412.db2.gz YRLTVCRCMNHIJR-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334550 1277170415 /nfs/dbraw/zinc/17/04/15/1277170415.db2.gz YRLTVCRCMNHIJR-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334550 1277170418 /nfs/dbraw/zinc/17/04/18/1277170418.db2.gz YRLTVCRCMNHIJR-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334550 1277170422 /nfs/dbraw/zinc/17/04/22/1277170422.db2.gz YRLTVCRCMNHIJR-KGLIPLIRSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579340401 1277185620 /nfs/dbraw/zinc/18/56/20/1277185620.db2.gz WWMFELWGHIDNFM-SIXLDLHFSA-N 2 1 367.457 0.365 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339974 1277185948 /nfs/dbraw/zinc/18/59/48/1277185948.db2.gz OTJFDPLCDXACDK-BZUAXINKSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340957 1277186716 /nfs/dbraw/zinc/18/67/16/1277186716.db2.gz DIJSJPJCMAMFRT-UONOGXRCSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343805 1277193316 /nfs/dbraw/zinc/19/33/16/1277193316.db2.gz LWFDYRMQPVFEIR-UONOGXRCSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343805 1277193317 /nfs/dbraw/zinc/19/33/17/1277193317.db2.gz LWFDYRMQPVFEIR-UONOGXRCSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347961 1277204115 /nfs/dbraw/zinc/20/41/15/1277204115.db2.gz RHLWNXPBLYSYNB-OLZOCXBDSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347961 1277204118 /nfs/dbraw/zinc/20/41/18/1277204118.db2.gz RHLWNXPBLYSYNB-OLZOCXBDSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579357011 1277224021 /nfs/dbraw/zinc/22/40/21/1277224021.db2.gz SJIOUQYVKAFXOS-ZBFHGGJFSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001579358571 1277226846 /nfs/dbraw/zinc/22/68/46/1277226846.db2.gz GJSVQBJKZQRXKF-HNNXBMFYSA-N 2 1 373.436 0.838 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579358432 1277227737 /nfs/dbraw/zinc/22/77/37/1277227737.db2.gz DNPNNORJFQJPIV-HNNXBMFYSA-N 2 1 355.446 0.699 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359893 1277233679 /nfs/dbraw/zinc/23/36/79/1277233679.db2.gz DFRMBKQVQFJKEL-XHSDSOJGSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579362104 1277238356 /nfs/dbraw/zinc/23/83/56/1277238356.db2.gz QBJVVSAZAUSQGU-LOWVWBTDSA-N 2 1 361.475 0.759 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579363163 1277240830 /nfs/dbraw/zinc/24/08/30/1277240830.db2.gz WMKRRXDAWYMWCT-UAGQMJEPSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579370116 1277252755 /nfs/dbraw/zinc/25/27/55/1277252755.db2.gz TUSGPEHPTLGVQX-SWLSCSKDSA-N 2 1 356.434 0.038 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001579406438 1277289051 /nfs/dbraw/zinc/28/90/51/1277289051.db2.gz MDOZUDORHHFWIE-PMPSAXMXSA-N 2 1 364.494 0.430 20 0 FCADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1C ZINC001579646671 1277714523 /nfs/dbraw/zinc/71/45/23/1277714523.db2.gz OWWHJBWLBPHHJV-MSOLQXFVSA-N 2 1 357.502 0.994 20 0 FCADMP Cc1[nH+]ccn1CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C)C(=O)C1 ZINC001579882793 1277948943 /nfs/dbraw/zinc/94/89/43/1277948943.db2.gz FLPSKGGUSULTFV-AWEZNQCLSA-N 2 1 358.450 0.186 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCNC(=O)C1 ZINC001579883212 1277949468 /nfs/dbraw/zinc/94/94/68/1277949468.db2.gz LTESCMOXQFQANS-OKILXGFUSA-N 2 1 358.450 0.014 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001579940469 1277971629 /nfs/dbraw/zinc/97/16/29/1277971629.db2.gz BTNPOCVBJRSIKS-UHFFFAOYSA-N 2 1 361.450 0.375 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001579940469 1277971636 /nfs/dbraw/zinc/97/16/36/1277971636.db2.gz BTNPOCVBJRSIKS-UHFFFAOYSA-N 2 1 361.450 0.375 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089129 1278003651 /nfs/dbraw/zinc/00/36/51/1278003651.db2.gz LBICLJLDKXZBKG-DLBZAZTESA-N 2 1 356.470 0.610 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC34C[NH2+]C4)c2)C1 ZINC001580089132 1278004125 /nfs/dbraw/zinc/00/41/25/1278004125.db2.gz LBICLJLDKXZBKG-SJORKVTESA-N 2 1 356.470 0.610 20 0 FCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001580270824 1278063848 /nfs/dbraw/zinc/06/38/48/1278063848.db2.gz GJNXSMVCRPRARV-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC001580857871 1279054269 /nfs/dbraw/zinc/05/42/69/1279054269.db2.gz ADONYCHRAWAMCS-JJXSEGSLSA-N 2 1 353.463 0.300 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cc(=O)c(OC)co1 ZINC001714585291 1287326616 /nfs/dbraw/zinc/32/66/16/1287326616.db2.gz NZMXPEWCALZKEO-UKRRQHHQSA-N 2 1 351.447 0.927 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cc(=O)c(OC)co1 ZINC001714585291 1287326619 /nfs/dbraw/zinc/32/66/19/1287326619.db2.gz NZMXPEWCALZKEO-UKRRQHHQSA-N 2 1 351.447 0.927 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cc(=O)c(OC)co1 ZINC001714585291 1287326625 /nfs/dbraw/zinc/32/66/25/1287326625.db2.gz NZMXPEWCALZKEO-UKRRQHHQSA-N 2 1 351.447 0.927 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cc(=O)c(OC)co1 ZINC001714585291 1287326628 /nfs/dbraw/zinc/32/66/28/1287326628.db2.gz NZMXPEWCALZKEO-UKRRQHHQSA-N 2 1 351.447 0.927 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970602 1279171380 /nfs/dbraw/zinc/17/13/80/1279171380.db2.gz SQJFVKUIPNGUGG-ZIAGYGMSSA-N 2 1 370.461 0.559 20 0 FCADMP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974591 1279174311 /nfs/dbraw/zinc/17/43/11/1279174311.db2.gz LSZALAXJQYVVEK-KBPBESRZSA-N 2 1 370.461 0.700 20 0 FCADMP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988322 1279188305 /nfs/dbraw/zinc/18/83/05/1279188305.db2.gz IQPZOFYKGSKOTQ-STQMWFEESA-N 2 1 360.466 0.637 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994041 1279200348 /nfs/dbraw/zinc/20/03/48/1279200348.db2.gz KKNMIARLMRKRNR-DOMZBBRYSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994042 1279200630 /nfs/dbraw/zinc/20/06/30/1279200630.db2.gz KKNMIARLMRKRNR-IUODEOHRSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994987 1279203326 /nfs/dbraw/zinc/20/33/26/1279203326.db2.gz VEXYASVSBXWYPE-KBPBESRZSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994991 1279203784 /nfs/dbraw/zinc/20/37/84/1279203784.db2.gz VFQDDMYGEIQGSK-BBRMVZONSA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003527 1279220702 /nfs/dbraw/zinc/22/07/02/1279220702.db2.gz DLNZTXOUOSOXJW-XJKSGUPXSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008548 1279232977 /nfs/dbraw/zinc/23/29/77/1279232977.db2.gz LPAAQSWMGKQQBK-BLLLJJGKSA-N 2 1 372.477 0.591 20 0 FCADMP Cc1cc(NCC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018956 1279250164 /nfs/dbraw/zinc/25/01/64/1279250164.db2.gz HWAMPWQRCGTNHR-ZUEPYMLJSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030288 1279266094 /nfs/dbraw/zinc/26/60/94/1279266094.db2.gz SGBJJOQBWGTQLT-CHWSQXEVSA-N 2 1 358.450 0.250 20 0 FCADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001716695085 1287387301 /nfs/dbraw/zinc/38/73/01/1287387301.db2.gz JUZYAXNVADINEJ-SJORKVTESA-N 2 1 358.486 0.658 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581562301 1280135615 /nfs/dbraw/zinc/13/56/15/1280135615.db2.gz PFHQUEOYWWFXMU-UHFFFAOYSA-N 2 1 372.408 0.759 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581562833 1280138861 /nfs/dbraw/zinc/13/88/61/1280138861.db2.gz DLVBEZDEKANUQH-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581563488 1280140295 /nfs/dbraw/zinc/14/02/95/1280140295.db2.gz NYHLIMQJCUBEEG-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001582319482 1281337000 /nfs/dbraw/zinc/33/70/00/1281337000.db2.gz CMRYRQMFRNTXGJ-CYBMUJFWSA-N 2 1 368.445 0.585 20 0 FCADMP O=C1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1 ZINC001582760654 1281985888 /nfs/dbraw/zinc/98/58/88/1281985888.db2.gz RCULNCWOMWGMIM-AWEZNQCLSA-N 2 1 355.446 0.557 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001584689219 1282165436 /nfs/dbraw/zinc/16/54/36/1282165436.db2.gz AKYUMOQEVQNYEK-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001585001782 1282191843 /nfs/dbraw/zinc/19/18/43/1282191843.db2.gz JMFOYEWICPALLG-RBSFLKMASA-N 2 1 356.486 0.772 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001642835575 1283044889 /nfs/dbraw/zinc/04/48/89/1283044889.db2.gz CISQRIVZXRBYFP-GOSISDBHSA-N 2 1 358.486 0.952 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589816297 1283049899 /nfs/dbraw/zinc/04/98/99/1283049899.db2.gz ZLTGCZALZPEEBX-CYBMUJFWSA-N 2 1 360.466 0.721 20 0 FCADMP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001589827712 1283066394 /nfs/dbraw/zinc/06/63/94/1283066394.db2.gz CPWXDMYTJLPDOR-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956963 1283146789 /nfs/dbraw/zinc/14/67/89/1283146789.db2.gz FBVSJYWQMSTBKJ-CJNGLKHVSA-N 2 1 358.446 0.846 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001590112606 1283224356 /nfs/dbraw/zinc/22/43/56/1283224356.db2.gz LDANKCQUOPYDSK-ZBFHGGJFSA-N 2 1 369.473 0.948 20 0 FCADMP CC1(CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[NH2+]CC1 ZINC001590126642 1283230504 /nfs/dbraw/zinc/23/05/04/1283230504.db2.gz DSEPXSIIFMQWEE-OAHLLOKOSA-N 2 1 355.446 0.559 20 0 FCADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@H]1C[NH3+] ZINC001590190697 1283294047 /nfs/dbraw/zinc/29/40/47/1283294047.db2.gz NIZCEMBQTZJPNM-LRHZJYQRSA-N 2 1 369.473 0.885 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001590271215 1283399252 /nfs/dbraw/zinc/39/92/52/1283399252.db2.gz VNCGVTOTMIRNHF-CWRNSKLLSA-N 2 1 369.473 0.945 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590276470 1283403526 /nfs/dbraw/zinc/40/35/26/1283403526.db2.gz AGQLXOBWBYAEJQ-WVATUKLVSA-N 2 1 355.446 0.556 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590456666 1283549520 /nfs/dbraw/zinc/54/95/20/1283549520.db2.gz NTBJWLFZLNKCRC-INIZCTEOSA-N 2 1 372.477 0.821 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001683325790 1283943308 /nfs/dbraw/zinc/94/33/08/1283943308.db2.gz VYTOBORPPAWOHS-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001683325790 1283943314 /nfs/dbraw/zinc/94/33/14/1283943314.db2.gz VYTOBORPPAWOHS-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1OC ZINC001683325790 1283943323 /nfs/dbraw/zinc/94/33/23/1283943323.db2.gz VYTOBORPPAWOHS-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591010897 1284071397 /nfs/dbraw/zinc/07/13/97/1284071397.db2.gz MYMLKGCXNMRPHT-RDJZCZTQSA-N 2 1 369.473 0.996 20 0 FCADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001591038638 1284100997 /nfs/dbraw/zinc/10/09/97/1284100997.db2.gz HMBTWXUIUGFIGG-UHFFFAOYSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591069030 1284129148 /nfs/dbraw/zinc/12/91/48/1284129148.db2.gz DJBSMJGSSNANIV-UHFFFAOYSA-N 2 1 369.473 0.901 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591176327 1284269736 /nfs/dbraw/zinc/26/97/36/1284269736.db2.gz NTMFOIHODGOJKA-RWMBFGLXSA-N 2 1 356.434 0.085 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591176260 1284271755 /nfs/dbraw/zinc/27/17/55/1284271755.db2.gz MLIHRNZFAUEQKO-RXYHWBRQSA-N 2 1 369.473 0.971 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591177831 1284275560 /nfs/dbraw/zinc/27/55/60/1284275560.db2.gz OEUINLBFXHKUJO-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001591562263 1284735554 /nfs/dbraw/zinc/73/55/54/1284735554.db2.gz WTCVRTRNXSEGIK-ZDUSSCGKSA-N 2 1 373.461 0.423 20 0 FCADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1-c1nn[nH]n1 ZINC001591969423 1285032362 /nfs/dbraw/zinc/03/23/62/1285032362.db2.gz QRZYDWUECQQIKE-HNNXBMFYSA-N 2 1 357.462 0.852 20 0 FCADMP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1-c1nn[nH]n1 ZINC001591969423 1285032374 /nfs/dbraw/zinc/03/23/74/1285032374.db2.gz QRZYDWUECQQIKE-HNNXBMFYSA-N 2 1 357.462 0.852 20 0 FCADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1-c1nn[nH]n1 ZINC001591969424 1285033835 /nfs/dbraw/zinc/03/38/35/1285033835.db2.gz QRZYDWUECQQIKE-OAHLLOKOSA-N 2 1 357.462 0.852 20 0 FCADMP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1-c1nn[nH]n1 ZINC001591969424 1285033853 /nfs/dbraw/zinc/03/38/53/1285033853.db2.gz QRZYDWUECQQIKE-OAHLLOKOSA-N 2 1 357.462 0.852 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996665 1285049390 /nfs/dbraw/zinc/04/93/90/1285049390.db2.gz ZVZVPZTZYLCJTD-ZDUSSCGKSA-N 2 1 358.450 0.464 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996664 1285050100 /nfs/dbraw/zinc/05/01/00/1285050100.db2.gz ZVZVPZTZYLCJTD-CYBMUJFWSA-N 2 1 358.450 0.464 20 0 FCADMP Cc1cc(NC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046701 1285088602 /nfs/dbraw/zinc/08/86/02/1285088602.db2.gz MQAIHNBFRFCELI-RDFMZFSFSA-N 2 1 370.461 0.418 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001702472560 1285691096 /nfs/dbraw/zinc/69/10/96/1285691096.db2.gz DWIWMYZYMQPLEA-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001702472560 1285691101 /nfs/dbraw/zinc/69/11/01/1285691101.db2.gz DWIWMYZYMQPLEA-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001702472560 1285691106 /nfs/dbraw/zinc/69/11/06/1285691106.db2.gz DWIWMYZYMQPLEA-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001702472562 1285691122 /nfs/dbraw/zinc/69/11/22/1285691122.db2.gz DWIWMYZYMQPLEA-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001702472562 1285691127 /nfs/dbraw/zinc/69/11/27/1285691127.db2.gz DWIWMYZYMQPLEA-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001702472562 1285691128 /nfs/dbraw/zinc/69/11/28/1285691128.db2.gz DWIWMYZYMQPLEA-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001592786195 1285711147 /nfs/dbraw/zinc/71/11/47/1285711147.db2.gz DNSSMAJUPWTHJF-CWRNSKLLSA-N 2 1 353.430 0.264 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592994648 1285879183 /nfs/dbraw/zinc/87/91/83/1285879183.db2.gz FELFOEZQMRMMDJ-JKSUJKDBSA-N 2 1 367.457 0.844 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995035 1285879373 /nfs/dbraw/zinc/87/93/73/1285879373.db2.gz OJRUXUKWPAIXPL-INMHGKMJSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995035 1285879382 /nfs/dbraw/zinc/87/93/82/1285879382.db2.gz OJRUXUKWPAIXPL-INMHGKMJSA-N 2 1 367.457 0.797 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001703076713 1286091021 /nfs/dbraw/zinc/09/10/21/1286091021.db2.gz IEAOECVIQGTJJN-NVXWUHKLSA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001703076713 1286091027 /nfs/dbraw/zinc/09/10/27/1286091027.db2.gz IEAOECVIQGTJJN-NVXWUHKLSA-N 2 1 361.490 0.983 20 0 FCADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccccc1-c1nn[nH]n1 ZINC001593505706 1286185187 /nfs/dbraw/zinc/18/51/87/1286185187.db2.gz PBGYOVYAAPDFMB-UKRRQHHQSA-N 2 1 358.446 0.680 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001710273144 1287169445 /nfs/dbraw/zinc/16/94/45/1287169445.db2.gz VELSYUVOEQPPKZ-HUUCEWRRSA-N 2 1 365.526 0.897 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001710273135 1287169964 /nfs/dbraw/zinc/16/99/64/1287169964.db2.gz VELSYUVOEQPPKZ-CABCVRRESA-N 2 1 365.526 0.897 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001604854729 1287799861 /nfs/dbraw/zinc/79/98/61/1287799861.db2.gz UCBFQUSALRVFCK-MGPQQGTHSA-N 2 1 370.461 0.332 20 0 FCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001604962172 1287820712 /nfs/dbraw/zinc/82/07/12/1287820712.db2.gz JIXWQGITKZEGKS-BORJPKMPSA-N 2 1 372.429 0.112 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605093685 1287879098 /nfs/dbraw/zinc/87/90/98/1287879098.db2.gz CKEGHPZRVZSSEQ-MRXNPFEDSA-N 2 1 373.461 0.138 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001605093685 1287879102 /nfs/dbraw/zinc/87/91/02/1287879102.db2.gz CKEGHPZRVZSSEQ-MRXNPFEDSA-N 2 1 373.461 0.138 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001605420470 1287952685 /nfs/dbraw/zinc/95/26/85/1287952685.db2.gz UTDJQNAEZCJUDJ-TZMCWYRMSA-N 2 1 368.445 0.298 20 0 FCADMP C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829710 1288429860 /nfs/dbraw/zinc/42/98/60/1288429860.db2.gz XKUFLRSHPNAHMR-LSDHHAIUSA-N 2 1 359.478 0.744 20 0 FCADMP C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829710 1288429864 /nfs/dbraw/zinc/42/98/64/1288429864.db2.gz XKUFLRSHPNAHMR-LSDHHAIUSA-N 2 1 359.478 0.744 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@H]1CCC[NH2+]1 ZINC001606728738 1288470520 /nfs/dbraw/zinc/47/05/20/1288470520.db2.gz FYKVVCHCKFDZTI-GXTWGEPZSA-N 2 1 359.434 0.540 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1)[C@H]1CCC[NH2+]1 ZINC001606728738 1288470526 /nfs/dbraw/zinc/47/05/26/1288470526.db2.gz FYKVVCHCKFDZTI-GXTWGEPZSA-N 2 1 359.434 0.540 20 0 FCADMP CCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001727529434 1288515307 /nfs/dbraw/zinc/51/53/07/1288515307.db2.gz LERDRXHLTLUGDN-MPGHIAIKSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001727529434 1288515312 /nfs/dbraw/zinc/51/53/12/1288515312.db2.gz LERDRXHLTLUGDN-MPGHIAIKSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001727529434 1288515318 /nfs/dbraw/zinc/51/53/18/1288515318.db2.gz LERDRXHLTLUGDN-MPGHIAIKSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001727529437 1288515509 /nfs/dbraw/zinc/51/55/09/1288515509.db2.gz LERDRXHLTLUGDN-RLFYNMQTSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001727529437 1288515515 /nfs/dbraw/zinc/51/55/15/1288515515.db2.gz LERDRXHLTLUGDN-RLFYNMQTSA-N 2 1 350.511 0.826 20 0 FCADMP CCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001727529437 1288515518 /nfs/dbraw/zinc/51/55/18/1288515518.db2.gz LERDRXHLTLUGDN-RLFYNMQTSA-N 2 1 350.511 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001731911823 1288570045 /nfs/dbraw/zinc/57/00/45/1288570045.db2.gz XARITTJOFODGIY-DAXOMENPSA-N 2 1 350.438 0.740 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001731911823 1288570049 /nfs/dbraw/zinc/57/00/49/1288570049.db2.gz XARITTJOFODGIY-DAXOMENPSA-N 2 1 350.438 0.740 20 0 FCADMP O=C1NCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001607052123 1288622641 /nfs/dbraw/zinc/62/26/41/1288622641.db2.gz PXYZDEGVMVQNBW-MRXNPFEDSA-N 2 1 369.473 0.947 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001607054387 1288625701 /nfs/dbraw/zinc/62/57/01/1288625701.db2.gz ARWAGWCWUYBQIZ-QLFBSQMISA-N 2 1 355.402 0.234 20 0 FCADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001607104867 1288663795 /nfs/dbraw/zinc/66/37/95/1288663795.db2.gz RYGANCDULCIZQH-IAGOWNOFSA-N 2 1 360.462 0.727 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O)C1CCC1 ZINC001735755525 1288858644 /nfs/dbraw/zinc/85/86/44/1288858644.db2.gz YRYSPAMWCOUODI-IAGOWNOFSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172959 1288965381 /nfs/dbraw/zinc/96/53/81/1288965381.db2.gz HJRZODDPMLVJQZ-YOEHRIQHSA-N 2 1 360.462 0.991 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001691889983 1289334097 /nfs/dbraw/zinc/33/40/97/1289334097.db2.gz PZPDIPQWSUJHEH-FRRDWIJNSA-N 2 1 351.451 0.359 20 0 FCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001691889984 1289334970 /nfs/dbraw/zinc/33/49/70/1289334970.db2.gz PZPDIPQWSUJHEH-RWMBFGLXSA-N 2 1 351.451 0.359 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CCn1cncn1 ZINC001692017951 1289365706 /nfs/dbraw/zinc/36/57/06/1289365706.db2.gz DYSBAPCCGZIJRX-DLBZAZTESA-N 2 1 364.494 0.358 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001692042454 1289375518 /nfs/dbraw/zinc/37/55/18/1289375518.db2.gz VDBKLLGJCYSDGK-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@@H]3C2)C1=O ZINC001692080521 1289385985 /nfs/dbraw/zinc/38/59/85/1289385985.db2.gz GFOWTSOWCGEMPZ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080521 1289385994 /nfs/dbraw/zinc/38/59/94/1289385994.db2.gz GFOWTSOWCGEMPZ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080521 1289386002 /nfs/dbraw/zinc/38/60/02/1289386002.db2.gz GFOWTSOWCGEMPZ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001692085280 1289392612 /nfs/dbraw/zinc/39/26/12/1289392612.db2.gz ZOTOLLKYPIBYAQ-SJORKVTESA-N 2 1 359.474 0.498 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001692085280 1289392617 /nfs/dbraw/zinc/39/26/17/1289392617.db2.gz ZOTOLLKYPIBYAQ-SJORKVTESA-N 2 1 359.474 0.498 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001692092503 1289397967 /nfs/dbraw/zinc/39/79/67/1289397967.db2.gz SAYXBDWOBGWBTO-CABCVRRESA-N 2 1 369.510 0.391 20 0 FCADMP C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001692123240 1289402011 /nfs/dbraw/zinc/40/20/11/1289402011.db2.gz XQSXLXUDKBNFFK-HZPDHXFCSA-N 2 1 354.495 0.191 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001692212117 1289428292 /nfs/dbraw/zinc/42/82/92/1289428292.db2.gz NMHNYMGHIUYEPX-DLBZAZTESA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001692212117 1289428294 /nfs/dbraw/zinc/42/82/94/1289428294.db2.gz NMHNYMGHIUYEPX-DLBZAZTESA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001692215279 1289429785 /nfs/dbraw/zinc/42/97/85/1289429785.db2.gz WCCDMWIUDWSNRG-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001692215279 1289429788 /nfs/dbraw/zinc/42/97/88/1289429788.db2.gz WCCDMWIUDWSNRG-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001692215279 1289429794 /nfs/dbraw/zinc/42/97/94/1289429794.db2.gz WCCDMWIUDWSNRG-BHYGNILZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001692281022 1289440608 /nfs/dbraw/zinc/44/06/08/1289440608.db2.gz OLGBVFDKAQCJHA-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC001692388799 1289456099 /nfs/dbraw/zinc/45/60/99/1289456099.db2.gz FGPLHMCUVQGQQZ-WBVHZDCISA-N 2 1 371.485 0.927 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CCn1cnc2ccccc2c1=O ZINC001692388799 1289456104 /nfs/dbraw/zinc/45/61/04/1289456104.db2.gz FGPLHMCUVQGQQZ-WBVHZDCISA-N 2 1 371.485 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCc3cccnc3)CC2)CC[N@H+]1C ZINC001699651172 1289559754 /nfs/dbraw/zinc/55/97/54/1289559754.db2.gz MJQBCRJNOSTDKB-GDBMZVCRSA-N 2 1 359.474 0.276 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001737801817 1289588701 /nfs/dbraw/zinc/58/87/01/1289588701.db2.gz IAWRHUPZPJAQGQ-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](O)COc3ccccc3)cn2)CC1 ZINC001620709670 1290018660 /nfs/dbraw/zinc/01/86/60/1290018660.db2.gz SFNVQWOQSAROTB-QGZVFWFLSA-N 2 1 357.458 0.758 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(CC(=O)OC)nn1 ZINC001621311785 1290032224 /nfs/dbraw/zinc/03/22/24/1290032224.db2.gz UXBXNFBFTUZHQF-MRXNPFEDSA-N 2 1 352.483 0.299 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C[C@@H]1O ZINC001739663079 1290327011 /nfs/dbraw/zinc/32/70/11/1290327011.db2.gz CUNKEPQUKFHJGN-IKGGRYGDSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1O ZINC001739663079 1290327021 /nfs/dbraw/zinc/32/70/21/1290327021.db2.gz CUNKEPQUKFHJGN-IKGGRYGDSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1O ZINC001739663079 1290327030 /nfs/dbraw/zinc/32/70/30/1290327030.db2.gz CUNKEPQUKFHJGN-IKGGRYGDSA-N 2 1 368.522 0.137 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001739720982 1290394137 /nfs/dbraw/zinc/39/41/37/1290394137.db2.gz VLDXRDWBTKJNDV-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001739720982 1290394149 /nfs/dbraw/zinc/39/41/49/1290394149.db2.gz VLDXRDWBTKJNDV-IAGOWNOFSA-N 2 1 361.490 0.983 20 0 FCADMP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001754952120 1290638678 /nfs/dbraw/zinc/63/86/78/1290638678.db2.gz RQNBZQBAODJOMG-AIEDFZFUSA-N 2 1 367.494 0.175 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001756215366 1290651337 /nfs/dbraw/zinc/65/13/37/1290651337.db2.gz MOUUPYSQVMPZGR-HHARLNAUSA-N 2 1 359.474 0.352 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001756215366 1290651347 /nfs/dbraw/zinc/65/13/47/1290651347.db2.gz MOUUPYSQVMPZGR-HHARLNAUSA-N 2 1 359.474 0.352 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001756768479 1290663764 /nfs/dbraw/zinc/66/37/64/1290663764.db2.gz GVJOQHKBRWSTOO-RHSMWYFYSA-N 2 1 359.474 0.807 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001756768479 1290663774 /nfs/dbraw/zinc/66/37/74/1290663774.db2.gz GVJOQHKBRWSTOO-RHSMWYFYSA-N 2 1 359.474 0.807 20 0 FCADMP C[C@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001646025697 1291055551 /nfs/dbraw/zinc/05/55/51/1291055551.db2.gz AORAVMDJGXSDRO-LLVKDONJSA-N 2 1 362.438 0.306 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001652176716 1291266639 /nfs/dbraw/zinc/26/66/39/1291266639.db2.gz IFWUQGVWAPAAAD-QGZVFWFLSA-N 2 1 359.536 0.845 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC001655517216 1291470437 /nfs/dbraw/zinc/47/04/37/1291470437.db2.gz JQFKJIJXGVTBEE-UHFFFAOYSA-N 2 1 362.474 0.583 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC3CCOCC3)C2)CC[N@H+]1C ZINC001661427134 1291693850 /nfs/dbraw/zinc/69/38/50/1291693850.db2.gz QLGPJOTYZYPALI-MAPUTHEBSA-N 2 1 369.506 0.120 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)COC3CCOCC3)C2)CC[N@H+]1C ZINC001661427135 1291694370 /nfs/dbraw/zinc/69/43/70/1291694370.db2.gz QLGPJOTYZYPALI-XSDHEKCYSA-N 2 1 369.506 0.120 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001688333362 1294480548 /nfs/dbraw/zinc/48/05/48/1294480548.db2.gz GGYALLIJPKIOLU-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001688333362 1294480551 /nfs/dbraw/zinc/48/05/51/1294480551.db2.gz GGYALLIJPKIOLU-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001688333362 1294480553 /nfs/dbraw/zinc/48/05/53/1294480553.db2.gz GGYALLIJPKIOLU-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001688612887 1294512546 /nfs/dbraw/zinc/51/25/46/1294512546.db2.gz LSQPMRXKBNNQCG-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1OCC ZINC001689074595 1294595900 /nfs/dbraw/zinc/59/59/00/1294595900.db2.gz JHXXUWPRYHWRRI-MDZRGWNJSA-N 2 1 366.506 0.062 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001689106537 1294620075 /nfs/dbraw/zinc/62/00/75/1294620075.db2.gz KFOSXPQDENMXQK-RDBSUJKOSA-N 2 1 355.483 0.128 20 0 FCADMP C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001689135101 1294622675 /nfs/dbraw/zinc/62/26/75/1294622675.db2.gz WHAJKABFIAMOAC-QLFBSQMISA-N 2 1 367.494 0.130 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC(=O)NCC)[C@@H]1CC ZINC001689194043 1294662382 /nfs/dbraw/zinc/66/23/82/1294662382.db2.gz MSBJPSDEZSXMEW-UONOGXRCSA-N 2 1 355.483 0.143 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1CC ZINC001689194043 1294662389 /nfs/dbraw/zinc/66/23/89/1294662389.db2.gz MSBJPSDEZSXMEW-UONOGXRCSA-N 2 1 355.483 0.143 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1CC ZINC001689194043 1294662391 /nfs/dbraw/zinc/66/23/91/1294662391.db2.gz MSBJPSDEZSXMEW-UONOGXRCSA-N 2 1 355.483 0.143 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)[C@@H]1CC ZINC001689194043 1294662398 /nfs/dbraw/zinc/66/23/98/1294662398.db2.gz MSBJPSDEZSXMEW-UONOGXRCSA-N 2 1 355.483 0.143 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001689199259 1294665320 /nfs/dbraw/zinc/66/53/20/1294665320.db2.gz AHUHNLSHEPSPFM-LSDHHAIUSA-N 2 1 367.494 0.417 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001689199259 1294665327 /nfs/dbraw/zinc/66/53/27/1294665327.db2.gz AHUHNLSHEPSPFM-LSDHHAIUSA-N 2 1 367.494 0.417 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001689236544 1294696811 /nfs/dbraw/zinc/69/68/11/1294696811.db2.gz JFLLVGVFRICNQT-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001689236544 1294696820 /nfs/dbraw/zinc/69/68/20/1294696820.db2.gz JFLLVGVFRICNQT-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001689236544 1294696828 /nfs/dbraw/zinc/69/68/28/1294696828.db2.gz JFLLVGVFRICNQT-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC001689323331 1294747452 /nfs/dbraw/zinc/74/74/52/1294747452.db2.gz FAKKDTDZUYNZJV-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC001689323331 1294747454 /nfs/dbraw/zinc/74/74/54/1294747454.db2.gz FAKKDTDZUYNZJV-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC001689323560 1294749285 /nfs/dbraw/zinc/74/92/85/1294749285.db2.gz OKXJGOKQJANQPC-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001689323560 1294749291 /nfs/dbraw/zinc/74/92/91/1294749291.db2.gz OKXJGOKQJANQPC-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(NCC[NH2+]CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001690657643 1294878389 /nfs/dbraw/zinc/87/83/89/1294878389.db2.gz SAJDJJRFRIFGIX-ARFHVFGLSA-N 2 1 359.474 0.868 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001690943842 1294894078 /nfs/dbraw/zinc/89/40/78/1294894078.db2.gz WNPMJMURVMDHPS-LSDHHAIUSA-N 2 1 355.527 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001690943842 1294894089 /nfs/dbraw/zinc/89/40/89/1294894089.db2.gz WNPMJMURVMDHPS-LSDHHAIUSA-N 2 1 355.527 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCNC(=O)NC(C)(C)C)CC[NH+]1C ZINC001690943842 1294894097 /nfs/dbraw/zinc/89/40/97/1294894097.db2.gz WNPMJMURVMDHPS-LSDHHAIUSA-N 2 1 355.527 0.862 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001691781583 1294921965 /nfs/dbraw/zinc/92/19/65/1294921965.db2.gz XGCNYAWTPQZLFW-HZPDHXFCSA-N 2 1 351.495 0.713 20 0 FCADMP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739093 720633040 /nfs/dbraw/zinc/63/30/40/720633040.db2.gz DYHDSTZJTBWROL-JKSUJKDBSA-N 2 1 352.442 0.859 20 0 FCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866886 721060382 /nfs/dbraw/zinc/06/03/82/721060382.db2.gz GPJLXDKTLNTTKN-MSOLQXFVSA-N 2 1 366.469 0.997 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164867991 721064948 /nfs/dbraw/zinc/06/49/48/721064948.db2.gz LVFWTQQJFGJZOC-DLBZAZTESA-N 2 1 366.469 0.997 20 0 FCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866620 721112264 /nfs/dbraw/zinc/11/22/64/721112264.db2.gz UGOSRUDTKNCJEV-ROUUACIJSA-N 2 1 366.469 0.997 20 0 FCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883619 721400650 /nfs/dbraw/zinc/40/06/50/721400650.db2.gz BGAJPIIEHGNGMQ-PKOBYXMFSA-N 2 1 360.506 0.701 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164922955 721848295 /nfs/dbraw/zinc/84/82/95/721848295.db2.gz SPLPXLANMNVOFV-GJZGRUSLSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164922955 721848296 /nfs/dbraw/zinc/84/82/96/721848296.db2.gz SPLPXLANMNVOFV-GJZGRUSLSA-N 2 1 350.898 0.990 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001067463400 837459647 /nfs/dbraw/zinc/45/96/47/837459647.db2.gz DEXPYVWUFIYSEU-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001067463400 837459654 /nfs/dbraw/zinc/45/96/54/837459654.db2.gz DEXPYVWUFIYSEU-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001067463400 837459663 /nfs/dbraw/zinc/45/96/63/837459663.db2.gz DEXPYVWUFIYSEU-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067712503 837475033 /nfs/dbraw/zinc/47/50/33/837475033.db2.gz USDUTEVUKQCYMO-BZUAXINKSA-N 2 1 356.511 0.353 20 0 FCADMP CC[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067712503 837475041 /nfs/dbraw/zinc/47/50/41/837475041.db2.gz USDUTEVUKQCYMO-BZUAXINKSA-N 2 1 356.511 0.353 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941810 837569147 /nfs/dbraw/zinc/56/91/47/837569147.db2.gz ABYFCEFGPNBVIC-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941810 837569154 /nfs/dbraw/zinc/56/91/54/837569154.db2.gz ABYFCEFGPNBVIC-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941810 837569160 /nfs/dbraw/zinc/56/91/60/837569160.db2.gz ABYFCEFGPNBVIC-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069941810 837569167 /nfs/dbraw/zinc/56/91/67/837569167.db2.gz ABYFCEFGPNBVIC-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097271 837617125 /nfs/dbraw/zinc/61/71/25/837617125.db2.gz KSUMJROLGYLMBT-XQQFMLRXSA-N 2 1 360.384 0.524 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097271 837617128 /nfs/dbraw/zinc/61/71/28/837617128.db2.gz KSUMJROLGYLMBT-XQQFMLRXSA-N 2 1 360.384 0.524 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097271 837617130 /nfs/dbraw/zinc/61/71/30/837617130.db2.gz KSUMJROLGYLMBT-XQQFMLRXSA-N 2 1 360.384 0.524 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097271 837617133 /nfs/dbraw/zinc/61/71/33/837617133.db2.gz KSUMJROLGYLMBT-XQQFMLRXSA-N 2 1 360.384 0.524 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)CC2 ZINC001099298194 844011881 /nfs/dbraw/zinc/01/18/81/844011881.db2.gz SMZWRAQTZRKBNX-MRVWCRGKSA-N 2 1 360.380 0.725 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070223899 837635999 /nfs/dbraw/zinc/63/59/99/837635999.db2.gz CHRPJAJAPICXEB-PMPSAXMXSA-N 2 1 352.458 0.710 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070209051 837634089 /nfs/dbraw/zinc/63/40/89/837634089.db2.gz KLDBZLVGEVKNJB-OAGGEKHMSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001071016412 837711643 /nfs/dbraw/zinc/71/16/43/837711643.db2.gz MLHQCYXRMXNWHK-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071063190 837723108 /nfs/dbraw/zinc/72/31/08/837723108.db2.gz JAOJTZAVMABNGH-LMMKCTJWSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H]2CCS(=O)(=O)C2)C3)CC[N@H+]1C ZINC001072751799 837743015 /nfs/dbraw/zinc/74/30/15/837743015.db2.gz FCDKIMMTEGKFFM-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C3)CC[NH+]1C ZINC001072751799 837743023 /nfs/dbraw/zinc/74/30/23/837743023.db2.gz FCDKIMMTEGKFFM-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C3)CC[NH+]1C ZINC001072751799 837743030 /nfs/dbraw/zinc/74/30/30/837743030.db2.gz FCDKIMMTEGKFFM-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)O1 ZINC001073123755 837758191 /nfs/dbraw/zinc/75/81/91/837758191.db2.gz JAOFYQATFGKPHF-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)O1 ZINC001073123755 837758208 /nfs/dbraw/zinc/75/82/08/837758208.db2.gz JAOFYQATFGKPHF-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)sn1 ZINC001074711132 837826801 /nfs/dbraw/zinc/82/68/01/837826801.db2.gz SLGBXGHGMPRLNE-PAPYEOQZSA-N 2 1 368.503 0.950 20 0 FCADMP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)sn1 ZINC001074711132 837826806 /nfs/dbraw/zinc/82/68/06/837826806.db2.gz SLGBXGHGMPRLNE-PAPYEOQZSA-N 2 1 368.503 0.950 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001100343368 844051746 /nfs/dbraw/zinc/05/17/46/844051746.db2.gz COOCIKCFBWMXQG-PRLABOORSA-N 2 1 352.523 0.973 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249202480 836026101 /nfs/dbraw/zinc/02/61/01/836026101.db2.gz AHDBKXCERXAOMJ-YRXWBPOGSA-N 2 1 356.555 0.150 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267395 844126177 /nfs/dbraw/zinc/12/61/77/844126177.db2.gz CASYFCTUFSCZNO-RYRKJORJSA-N 2 1 371.547 0.542 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267395 844126181 /nfs/dbraw/zinc/12/61/81/844126181.db2.gz CASYFCTUFSCZNO-RYRKJORJSA-N 2 1 371.547 0.542 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268428 844126790 /nfs/dbraw/zinc/12/67/90/844126790.db2.gz AKXSMHPHPFIECN-BEFAXECRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268428 844126798 /nfs/dbraw/zinc/12/67/98/844126798.db2.gz AKXSMHPHPFIECN-BEFAXECRSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268428 844126807 /nfs/dbraw/zinc/12/68/07/844126807.db2.gz AKXSMHPHPFIECN-BEFAXECRSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284872 844134569 /nfs/dbraw/zinc/13/45/69/844134569.db2.gz CUPMMMWSOYCTKK-CLCXKQKWSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284872 844134577 /nfs/dbraw/zinc/13/45/77/844134577.db2.gz CUPMMMWSOYCTKK-CLCXKQKWSA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284872 844134585 /nfs/dbraw/zinc/13/45/85/844134585.db2.gz CUPMMMWSOYCTKK-CLCXKQKWSA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285289 844134749 /nfs/dbraw/zinc/13/47/49/844134749.db2.gz WWCSXOOYXXMRGN-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285289 844134757 /nfs/dbraw/zinc/13/47/57/844134757.db2.gz WWCSXOOYXXMRGN-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285289 844134761 /nfs/dbraw/zinc/13/47/61/844134761.db2.gz WWCSXOOYXXMRGN-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCNC(=S)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000748157578 836288592 /nfs/dbraw/zinc/28/85/92/836288592.db2.gz PAFDTVFKQAHBNJ-UHFFFAOYSA-N 2 1 350.536 0.619 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101345022 844153158 /nfs/dbraw/zinc/15/31/58/844153158.db2.gz PQOGCOAYRFFHEU-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368819 844163155 /nfs/dbraw/zinc/16/31/55/844163155.db2.gz PEGPFBDDMOCMGR-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368819 844163163 /nfs/dbraw/zinc/16/31/63/844163163.db2.gz PEGPFBDDMOCMGR-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368819 844163172 /nfs/dbraw/zinc/16/31/72/844163172.db2.gz PEGPFBDDMOCMGR-CLCXKQKWSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101365948 844161696 /nfs/dbraw/zinc/16/16/96/844161696.db2.gz RYFQUFDQUNZWEX-GJYPPUQNSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC)C[C@@]2(C)C1)C(C)C ZINC001101396597 844173875 /nfs/dbraw/zinc/17/38/75/844173875.db2.gz BAFSQGVXDCRDNW-SUMDDJOVSA-N 2 1 352.523 0.879 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)no1 ZINC001101431533 844184647 /nfs/dbraw/zinc/18/46/47/844184647.db2.gz SKXGTZZUQXHDDL-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)no1 ZINC001101431533 844184652 /nfs/dbraw/zinc/18/46/52/844184652.db2.gz SKXGTZZUQXHDDL-QAPCUYQASA-N 2 1 350.463 0.842 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CCOC3CCC3)C[C@@]2(C)C1 ZINC001101432749 844185637 /nfs/dbraw/zinc/18/56/37/844185637.db2.gz YOCVUIBXCYBEKP-APWZRJJASA-N 2 1 353.507 0.914 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101437626 844187612 /nfs/dbraw/zinc/18/76/12/844187612.db2.gz GPJCICRDLQHVIF-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101437626 844187617 /nfs/dbraw/zinc/18/76/17/844187617.db2.gz GPJCICRDLQHVIF-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459610 844193483 /nfs/dbraw/zinc/19/34/83/844193483.db2.gz LLIFNMBYEREREE-KHYOSLBOSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459610 844193487 /nfs/dbraw/zinc/19/34/87/844193487.db2.gz LLIFNMBYEREREE-KHYOSLBOSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101459610 844193491 /nfs/dbraw/zinc/19/34/91/844193491.db2.gz LLIFNMBYEREREE-KHYOSLBOSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063099822 836750484 /nfs/dbraw/zinc/75/04/84/836750484.db2.gz BJSWYHUSBNBXJP-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063099822 836750491 /nfs/dbraw/zinc/75/04/91/836750491.db2.gz BJSWYHUSBNBXJP-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063099822 836750493 /nfs/dbraw/zinc/75/04/93/836750493.db2.gz BJSWYHUSBNBXJP-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063228978 836758721 /nfs/dbraw/zinc/75/87/21/836758721.db2.gz RNLHTJLCHGDROY-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063228978 836758724 /nfs/dbraw/zinc/75/87/24/836758724.db2.gz RNLHTJLCHGDROY-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063228978 836758730 /nfs/dbraw/zinc/75/87/30/836758730.db2.gz RNLHTJLCHGDROY-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[NH+](C)C3)CCC2)CC[N@H+]1C ZINC001063228977 836759276 /nfs/dbraw/zinc/75/92/76/836759276.db2.gz RNLHTJLCHGDROY-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC2)CC[NH+]1C ZINC001063228977 836759281 /nfs/dbraw/zinc/75/92/81/836759281.db2.gz RNLHTJLCHGDROY-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)CC[NH+]1C ZINC001063228977 836759291 /nfs/dbraw/zinc/75/92/91/836759291.db2.gz RNLHTJLCHGDROY-HRCADAONSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001101473502 844198381 /nfs/dbraw/zinc/19/83/81/844198381.db2.gz ZMYIFGSIVZOTPH-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001101473502 844198387 /nfs/dbraw/zinc/19/83/87/844198387.db2.gz ZMYIFGSIVZOTPH-AEFFLSMTSA-N 2 1 371.547 0.687 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478594 844203343 /nfs/dbraw/zinc/20/33/43/844203343.db2.gz WACFVHOZCAOYAP-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478594 844203354 /nfs/dbraw/zinc/20/33/54/844203354.db2.gz WACFVHOZCAOYAP-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478594 844203365 /nfs/dbraw/zinc/20/33/65/844203365.db2.gz WACFVHOZCAOYAP-MDZRGWNJSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478465 844203703 /nfs/dbraw/zinc/20/37/03/844203703.db2.gz PEABISZZNIBRIJ-APWZRJJASA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478465 844203713 /nfs/dbraw/zinc/20/37/13/844203713.db2.gz PEABISZZNIBRIJ-APWZRJJASA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478465 844203721 /nfs/dbraw/zinc/20/37/21/844203721.db2.gz PEABISZZNIBRIJ-APWZRJJASA-N 2 1 352.523 0.879 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065614760 836844743 /nfs/dbraw/zinc/84/47/43/836844743.db2.gz XMBBFFZUPHAJRR-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065614760 836844753 /nfs/dbraw/zinc/84/47/53/836844753.db2.gz XMBBFFZUPHAJRR-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065614760 836844763 /nfs/dbraw/zinc/84/47/63/836844763.db2.gz XMBBFFZUPHAJRR-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001101550314 844211282 /nfs/dbraw/zinc/21/12/82/844211282.db2.gz BRBCHAOIMJRUCJ-BFYDXBDKSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@@H](O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001101550314 844211291 /nfs/dbraw/zinc/21/12/91/844211291.db2.gz BRBCHAOIMJRUCJ-BFYDXBDKSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001076206242 837970626 /nfs/dbraw/zinc/97/06/26/837970626.db2.gz FZGKPSJNXSKYRZ-HYVNUMGLSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC1 ZINC001076206242 837970633 /nfs/dbraw/zinc/97/06/33/837970633.db2.gz FZGKPSJNXSKYRZ-HYVNUMGLSA-N 2 1 369.531 0.296 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819711 844281373 /nfs/dbraw/zinc/28/13/73/844281373.db2.gz RDRJLMVRVYONHN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101819711 844281381 /nfs/dbraw/zinc/28/13/81/844281381.db2.gz RDRJLMVRVYONHN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101819711 844281390 /nfs/dbraw/zinc/28/13/90/844281390.db2.gz RDRJLMVRVYONHN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605784 838027836 /nfs/dbraw/zinc/02/78/36/838027836.db2.gz SRFGUIMDGAPJQL-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001076987136 838196432 /nfs/dbraw/zinc/19/64/32/838196432.db2.gz DJDMUBZFQSMHFV-BZUAXINKSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001076987136 838196437 /nfs/dbraw/zinc/19/64/37/838196437.db2.gz DJDMUBZFQSMHFV-BZUAXINKSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001076987136 838196440 /nfs/dbraw/zinc/19/64/40/838196440.db2.gz DJDMUBZFQSMHFV-BZUAXINKSA-N 2 1 352.504 0.720 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001076987136 838196445 /nfs/dbraw/zinc/19/64/45/838196445.db2.gz DJDMUBZFQSMHFV-BZUAXINKSA-N 2 1 352.504 0.720 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)O1 ZINC001077221162 838824033 /nfs/dbraw/zinc/82/40/33/838824033.db2.gz DVZYYCPUTDHSLV-DTZQCDIJSA-N 2 1 353.488 0.171 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cccs3)C[C@H]2O)O1 ZINC001077221162 838824039 /nfs/dbraw/zinc/82/40/39/838824039.db2.gz DVZYYCPUTDHSLV-DTZQCDIJSA-N 2 1 353.488 0.171 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)O1 ZINC001077221162 838824052 /nfs/dbraw/zinc/82/40/52/838824052.db2.gz DVZYYCPUTDHSLV-DTZQCDIJSA-N 2 1 353.488 0.171 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)O1 ZINC001077221162 838824061 /nfs/dbraw/zinc/82/40/61/838824061.db2.gz DVZYYCPUTDHSLV-DTZQCDIJSA-N 2 1 353.488 0.171 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001102015508 844373213 /nfs/dbraw/zinc/37/32/13/844373213.db2.gz IITWCLSHMIPBAQ-IIAWOOMASA-N 2 1 354.474 0.679 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001102015508 844373221 /nfs/dbraw/zinc/37/32/21/844373221.db2.gz IITWCLSHMIPBAQ-IIAWOOMASA-N 2 1 354.474 0.679 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077280717 838872137 /nfs/dbraw/zinc/87/21/37/838872137.db2.gz JCGGJTUKXTXSLX-IXDOHACOSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077280717 838872147 /nfs/dbraw/zinc/87/21/47/838872147.db2.gz JCGGJTUKXTXSLX-IXDOHACOSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077280717 838872157 /nfs/dbraw/zinc/87/21/57/838872157.db2.gz JCGGJTUKXTXSLX-IXDOHACOSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077280717 838872166 /nfs/dbraw/zinc/87/21/66/838872166.db2.gz JCGGJTUKXTXSLX-IXDOHACOSA-N 2 1 366.531 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299418 838887529 /nfs/dbraw/zinc/88/75/29/838887529.db2.gz AHXTUYIMQWBERU-GVDBMIGSSA-N 2 1 351.491 0.593 20 0 FCADMP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077477346 838988808 /nfs/dbraw/zinc/98/88/08/838988808.db2.gz YMYLGZNRXJKMOQ-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040788 844391752 /nfs/dbraw/zinc/39/17/52/844391752.db2.gz WGPPCLVTIPRXBB-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040788 844391756 /nfs/dbraw/zinc/39/17/56/844391756.db2.gz WGPPCLVTIPRXBB-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040788 844391757 /nfs/dbraw/zinc/39/17/57/844391757.db2.gz WGPPCLVTIPRXBB-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566922 839040744 /nfs/dbraw/zinc/04/07/44/839040744.db2.gz SXKFQILJXIDHTJ-ZACQAIPSSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566922 839040751 /nfs/dbraw/zinc/04/07/51/839040751.db2.gz SXKFQILJXIDHTJ-ZACQAIPSSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566922 839040762 /nfs/dbraw/zinc/04/07/62/839040762.db2.gz SXKFQILJXIDHTJ-ZACQAIPSSA-N 2 1 353.507 0.693 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)C1 ZINC001077566922 839040775 /nfs/dbraw/zinc/04/07/75/839040775.db2.gz SXKFQILJXIDHTJ-ZACQAIPSSA-N 2 1 353.507 0.693 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051902 844397618 /nfs/dbraw/zinc/39/76/18/844397618.db2.gz SDDWHSVZEPIZMP-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051902 844397626 /nfs/dbraw/zinc/39/76/26/844397626.db2.gz SDDWHSVZEPIZMP-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051902 844397631 /nfs/dbraw/zinc/39/76/31/844397631.db2.gz SDDWHSVZEPIZMP-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001102047704 844394809 /nfs/dbraw/zinc/39/48/09/844394809.db2.gz QSARULUINYTIIV-BZUAXINKSA-N 2 1 350.463 0.454 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001102047704 844394816 /nfs/dbraw/zinc/39/48/16/844394816.db2.gz QSARULUINYTIIV-BZUAXINKSA-N 2 1 350.463 0.454 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045947 844394953 /nfs/dbraw/zinc/39/49/53/844394953.db2.gz DJJYKNIRRHAHJB-GDBMZVCRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048430 844395986 /nfs/dbraw/zinc/39/59/86/844395986.db2.gz AYMSRHUUQONAJA-FVQBIDKESA-N 2 1 359.536 0.445 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077658238 839092022 /nfs/dbraw/zinc/09/20/22/839092022.db2.gz QRSKDJMHWKDQMX-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001077658238 839092033 /nfs/dbraw/zinc/09/20/33/839092033.db2.gz QRSKDJMHWKDQMX-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077658238 839092040 /nfs/dbraw/zinc/09/20/40/839092040.db2.gz QRSKDJMHWKDQMX-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077658238 839092047 /nfs/dbraw/zinc/09/20/47/839092047.db2.gz QRSKDJMHWKDQMX-ARFHVFGLSA-N 2 1 356.511 0.448 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102071188 844404714 /nfs/dbraw/zinc/40/47/14/844404714.db2.gz HAGRWAPXLLJEPO-OIISXLGYSA-N 2 1 352.523 0.783 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)cn1 ZINC001077818421 839174758 /nfs/dbraw/zinc/17/47/58/839174758.db2.gz UOFXUFCKDQWSQJ-HZPDHXFCSA-N 2 1 363.487 0.481 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)cn1 ZINC001077818421 839174762 /nfs/dbraw/zinc/17/47/62/839174762.db2.gz UOFXUFCKDQWSQJ-HZPDHXFCSA-N 2 1 363.487 0.481 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001077923730 839232061 /nfs/dbraw/zinc/23/20/61/839232061.db2.gz AFLWIZWJSDJLBT-QZTJIDSGSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006152 839287851 /nfs/dbraw/zinc/28/78/51/839287851.db2.gz UJBIGFYYBCINGF-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006152 839287862 /nfs/dbraw/zinc/28/78/62/839287862.db2.gz UJBIGFYYBCINGF-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006152 839287879 /nfs/dbraw/zinc/28/78/79/839287879.db2.gz UJBIGFYYBCINGF-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119338 844422944 /nfs/dbraw/zinc/42/29/44/844422944.db2.gz HFADYIXVRNRLJB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001078074298 839321025 /nfs/dbraw/zinc/32/10/25/839321025.db2.gz AJCNOBKVKHWRMY-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001078074298 839321045 /nfs/dbraw/zinc/32/10/45/839321045.db2.gz AJCNOBKVKHWRMY-RRFJBIMHSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951635 839630589 /nfs/dbraw/zinc/63/05/89/839630589.db2.gz YTVYDZXPPGXMLF-RRCSTGOVSA-N 2 1 352.504 0.841 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951635 839630594 /nfs/dbraw/zinc/63/05/94/839630594.db2.gz YTVYDZXPPGXMLF-RRCSTGOVSA-N 2 1 352.504 0.841 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951635 839630600 /nfs/dbraw/zinc/63/06/00/839630600.db2.gz YTVYDZXPPGXMLF-RRCSTGOVSA-N 2 1 352.504 0.841 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951635 839630606 /nfs/dbraw/zinc/63/06/06/839630606.db2.gz YTVYDZXPPGXMLF-RRCSTGOVSA-N 2 1 352.504 0.841 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080014247 839646028 /nfs/dbraw/zinc/64/60/28/839646028.db2.gz OGJVXUQKXUJEHE-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080014247 839646035 /nfs/dbraw/zinc/64/60/35/839646035.db2.gz OGJVXUQKXUJEHE-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288385 844458401 /nfs/dbraw/zinc/45/84/01/844458401.db2.gz AOKWMJILULKZCS-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102295297 844459432 /nfs/dbraw/zinc/45/94/32/844459432.db2.gz CIKMCGMRBXRKMO-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255451 839692297 /nfs/dbraw/zinc/69/22/97/839692297.db2.gz YEYJWOXUVDKRKP-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255451 839692303 /nfs/dbraw/zinc/69/23/03/839692303.db2.gz YEYJWOXUVDKRKP-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080384921 839714917 /nfs/dbraw/zinc/71/49/17/839714917.db2.gz BELLAGRJXDHHSC-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080384921 839714925 /nfs/dbraw/zinc/71/49/25/839714925.db2.gz BELLAGRJXDHHSC-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382677 839715210 /nfs/dbraw/zinc/71/52/10/839715210.db2.gz YFSVRELMGRAFRV-HLLBOEOZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382677 839715219 /nfs/dbraw/zinc/71/52/19/839715219.db2.gz YFSVRELMGRAFRV-HLLBOEOZSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320574 844466710 /nfs/dbraw/zinc/46/67/10/844466710.db2.gz IWXWXDSIJVIOMK-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001080559012 839746321 /nfs/dbraw/zinc/74/63/21/839746321.db2.gz PSXCZBFZXLOURB-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)OC ZINC001080593070 839755791 /nfs/dbraw/zinc/75/57/91/839755791.db2.gz HRUGAHHIEVREHQ-DJIMGWMZSA-N 2 1 351.495 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102368327 844477718 /nfs/dbraw/zinc/47/77/18/844477718.db2.gz PPYMJZKGBHKLNF-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001102368327 844477724 /nfs/dbraw/zinc/47/77/24/844477724.db2.gz PPYMJZKGBHKLNF-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001102368327 844477729 /nfs/dbraw/zinc/47/77/29/844477729.db2.gz PPYMJZKGBHKLNF-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375357 844479481 /nfs/dbraw/zinc/47/94/81/844479481.db2.gz DQZABNSRYCXBCK-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102375357 844479484 /nfs/dbraw/zinc/47/94/84/844479484.db2.gz DQZABNSRYCXBCK-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102375357 844479487 /nfs/dbraw/zinc/47/94/87/844479487.db2.gz DQZABNSRYCXBCK-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847993 840063360 /nfs/dbraw/zinc/06/33/60/840063360.db2.gz GERSHNKOKYUWHZ-MWQQHZPXSA-N 2 1 353.507 0.957 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847993 840063369 /nfs/dbraw/zinc/06/33/69/840063369.db2.gz GERSHNKOKYUWHZ-MWQQHZPXSA-N 2 1 353.507 0.957 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847993 840063372 /nfs/dbraw/zinc/06/33/72/840063372.db2.gz GERSHNKOKYUWHZ-MWQQHZPXSA-N 2 1 353.507 0.957 20 0 FCADMP CO[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847993 840063382 /nfs/dbraw/zinc/06/33/82/840063382.db2.gz GERSHNKOKYUWHZ-MWQQHZPXSA-N 2 1 353.507 0.957 20 0 FCADMP Cc1oncc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468423 844510377 /nfs/dbraw/zinc/51/03/77/844510377.db2.gz IFYXNNOKLSNJHC-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1oncc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468423 844510386 /nfs/dbraw/zinc/51/03/86/844510386.db2.gz IFYXNNOKLSNJHC-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095680 840183448 /nfs/dbraw/zinc/18/34/48/840183448.db2.gz CUBMMIJRSMHILG-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138138 840207883 /nfs/dbraw/zinc/20/78/83/840207883.db2.gz PXIQBSRYIUBGEL-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138138 840207893 /nfs/dbraw/zinc/20/78/93/840207893.db2.gz PXIQBSRYIUBGEL-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138138 840207905 /nfs/dbraw/zinc/20/79/05/840207905.db2.gz PXIQBSRYIUBGEL-GVDBMIGSSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138325 840208844 /nfs/dbraw/zinc/20/88/44/840208844.db2.gz ZBFOJYUVQMEISI-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138325 840208858 /nfs/dbraw/zinc/20/88/58/840208858.db2.gz ZBFOJYUVQMEISI-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138325 840208865 /nfs/dbraw/zinc/20/88/65/840208865.db2.gz ZBFOJYUVQMEISI-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271692 840269508 /nfs/dbraw/zinc/26/95/08/840269508.db2.gz NZMZKOPEWUSAOD-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271692 840269521 /nfs/dbraw/zinc/26/95/21/840269521.db2.gz NZMZKOPEWUSAOD-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486574 844522137 /nfs/dbraw/zinc/52/21/37/844522137.db2.gz LVCAHDTWAVDOEH-FMKPAKJESA-N 2 1 354.495 0.045 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317880 840296471 /nfs/dbraw/zinc/29/64/71/840296471.db2.gz MIFUKNDZBQSUIE-ZTFGCOKTSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318052 840298033 /nfs/dbraw/zinc/29/80/33/840298033.db2.gz VKVGAEGJSZVLKD-BMGDILEWSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326042 840309634 /nfs/dbraw/zinc/30/96/34/840309634.db2.gz KZPHENTWQJVBSU-USXIJHARSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326042 840309648 /nfs/dbraw/zinc/30/96/48/840309648.db2.gz KZPHENTWQJVBSU-USXIJHARSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326042 840309651 /nfs/dbraw/zinc/30/96/51/840309651.db2.gz KZPHENTWQJVBSU-USXIJHARSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326042 840309664 /nfs/dbraw/zinc/30/96/64/840309664.db2.gz KZPHENTWQJVBSU-USXIJHARSA-N 2 1 350.463 0.949 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328252 840311790 /nfs/dbraw/zinc/31/17/90/840311790.db2.gz KQEPOGFAPALORH-HZPDHXFCSA-N 2 1 364.515 0.905 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328252 840311807 /nfs/dbraw/zinc/31/18/07/840311807.db2.gz KQEPOGFAPALORH-HZPDHXFCSA-N 2 1 364.515 0.905 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102492809 844528654 /nfs/dbraw/zinc/52/86/54/844528654.db2.gz HNAOYLUIRVMPPR-NXHRZFHOSA-N 2 1 355.523 0.798 20 0 FCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371474 840359396 /nfs/dbraw/zinc/35/93/96/840359396.db2.gz KXOSRFSGGFSLJZ-BRWVUGGUSA-N 2 1 350.463 0.966 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371474 840359405 /nfs/dbraw/zinc/35/94/05/840359405.db2.gz KXOSRFSGGFSLJZ-BRWVUGGUSA-N 2 1 350.463 0.966 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082507413 840441446 /nfs/dbraw/zinc/44/14/46/840441446.db2.gz PQZQZYJWKAAQCM-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513583 844545038 /nfs/dbraw/zinc/54/50/38/844545038.db2.gz RONHCKAGOMCDNY-HUUCEWRRSA-N 2 1 371.913 0.799 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515088 844546519 /nfs/dbraw/zinc/54/65/19/844546519.db2.gz CJDQPFSFGKEDIW-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001082742256 840542421 /nfs/dbraw/zinc/54/24/21/840542421.db2.gz YPFDSHVEMGOVDX-RBSFLKMASA-N 2 1 352.458 0.526 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001082742256 840542429 /nfs/dbraw/zinc/54/24/29/840542429.db2.gz YPFDSHVEMGOVDX-RBSFLKMASA-N 2 1 352.458 0.526 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082782477 840557847 /nfs/dbraw/zinc/55/78/47/840557847.db2.gz AKFJOOOPQZAFIM-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102524031 844551613 /nfs/dbraw/zinc/55/16/13/844551613.db2.gz BXOAHYACNNPMDG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102524031 844551620 /nfs/dbraw/zinc/55/16/20/844551620.db2.gz BXOAHYACNNPMDG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102524031 844551629 /nfs/dbraw/zinc/55/16/29/844551629.db2.gz BXOAHYACNNPMDG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082919962 840602350 /nfs/dbraw/zinc/60/23/50/840602350.db2.gz LNUOVMICSLFFSM-JHJVBQTASA-N 2 1 356.421 0.431 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082919962 840602354 /nfs/dbraw/zinc/60/23/54/840602354.db2.gz LNUOVMICSLFFSM-JHJVBQTASA-N 2 1 356.421 0.431 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001082922669 840603709 /nfs/dbraw/zinc/60/37/09/840603709.db2.gz UMRAJSVKWYAKTB-VNQPRFMTSA-N 2 1 368.503 0.453 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933774 840613395 /nfs/dbraw/zinc/61/33/95/840613395.db2.gz JIXZXRBIQCPBGN-KBRIMQKVSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933774 840613398 /nfs/dbraw/zinc/61/33/98/840613398.db2.gz JIXZXRBIQCPBGN-KBRIMQKVSA-N 2 1 350.463 0.894 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083024158 840660100 /nfs/dbraw/zinc/66/01/00/840660100.db2.gz CSPZZPGNRGBWTB-OWCLPIDISA-N 2 1 364.515 1.000 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083024158 840660106 /nfs/dbraw/zinc/66/01/06/840660106.db2.gz CSPZZPGNRGBWTB-OWCLPIDISA-N 2 1 364.515 1.000 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024158 840660111 /nfs/dbraw/zinc/66/01/11/840660111.db2.gz CSPZZPGNRGBWTB-OWCLPIDISA-N 2 1 364.515 1.000 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024158 840660116 /nfs/dbraw/zinc/66/01/16/840660116.db2.gz CSPZZPGNRGBWTB-OWCLPIDISA-N 2 1 364.515 1.000 20 0 FCADMP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21)C1CCC1 ZINC001083106734 840715620 /nfs/dbraw/zinc/71/56/20/840715620.db2.gz SOFGPEYKTKOLCC-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21)C1CCC1 ZINC001083106734 840715625 /nfs/dbraw/zinc/71/56/25/840715625.db2.gz SOFGPEYKTKOLCC-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21)C1CCC1 ZINC001083106734 840715631 /nfs/dbraw/zinc/71/56/31/840715631.db2.gz SOFGPEYKTKOLCC-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)C1=O ZINC001102579081 844572671 /nfs/dbraw/zinc/57/26/71/844572671.db2.gz HMFAINUVKDJXJV-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579204 844572744 /nfs/dbraw/zinc/57/27/44/844572744.db2.gz NESJFABOLSRBLY-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589588 844582628 /nfs/dbraw/zinc/58/26/28/844582628.db2.gz VCWXEYIJYZYVPC-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589588 844582637 /nfs/dbraw/zinc/58/26/37/844582637.db2.gz VCWXEYIJYZYVPC-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589588 844582648 /nfs/dbraw/zinc/58/26/48/844582648.db2.gz VCWXEYIJYZYVPC-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001102589588 844582658 /nfs/dbraw/zinc/58/26/58/844582658.db2.gz VCWXEYIJYZYVPC-KFWWJZLASA-N 2 1 363.449 0.673 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465797 841036724 /nfs/dbraw/zinc/03/67/24/841036724.db2.gz SLATYUFYODPGMD-XHSDSOJGSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465797 841036732 /nfs/dbraw/zinc/03/67/32/841036732.db2.gz SLATYUFYODPGMD-XHSDSOJGSA-N 2 1 364.515 0.763 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083524040 841122994 /nfs/dbraw/zinc/12/29/94/841122994.db2.gz FDRDJHDDTRPZBU-NXHRZFHOSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083524040 841123002 /nfs/dbraw/zinc/12/30/02/841123002.db2.gz FDRDJHDDTRPZBU-NXHRZFHOSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083524040 841123020 /nfs/dbraw/zinc/12/30/20/841123020.db2.gz FDRDJHDDTRPZBU-NXHRZFHOSA-N 2 1 353.507 0.980 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)O1 ZINC001083566539 841178279 /nfs/dbraw/zinc/17/82/79/841178279.db2.gz PJIDWVBPIIGCBV-MXASKKJJSA-N 2 1 367.515 0.561 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)O1 ZINC001083566539 841178286 /nfs/dbraw/zinc/17/82/86/841178286.db2.gz PJIDWVBPIIGCBV-MXASKKJJSA-N 2 1 367.515 0.561 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@@H]2O)O1 ZINC001083566539 841178291 /nfs/dbraw/zinc/17/82/91/841178291.db2.gz PJIDWVBPIIGCBV-MXASKKJJSA-N 2 1 367.515 0.561 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)O1 ZINC001083566539 841178296 /nfs/dbraw/zinc/17/82/96/841178296.db2.gz PJIDWVBPIIGCBV-MXASKKJJSA-N 2 1 367.515 0.561 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083695985 841324334 /nfs/dbraw/zinc/32/43/34/841324334.db2.gz DFWBUAZDHDLHHT-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696113 841327018 /nfs/dbraw/zinc/32/70/18/841327018.db2.gz JWFSUYQZRSCDBD-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723443 841360013 /nfs/dbraw/zinc/36/00/13/841360013.db2.gz KLIGRLFYJRSQLV-ILXRZTDVSA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723443 841360022 /nfs/dbraw/zinc/36/00/22/841360022.db2.gz KLIGRLFYJRSQLV-ILXRZTDVSA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723443 841360036 /nfs/dbraw/zinc/36/00/36/841360036.db2.gz KLIGRLFYJRSQLV-ILXRZTDVSA-N 2 1 361.433 0.302 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)C1 ZINC001083723443 841360047 /nfs/dbraw/zinc/36/00/47/841360047.db2.gz KLIGRLFYJRSQLV-ILXRZTDVSA-N 2 1 361.433 0.302 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275799743 861195746 /nfs/dbraw/zinc/19/57/46/861195746.db2.gz MZBLUNZGFIRFCS-CQSZACIVSA-N 2 1 350.488 0.552 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275799743 861195748 /nfs/dbraw/zinc/19/57/48/861195748.db2.gz MZBLUNZGFIRFCS-CQSZACIVSA-N 2 1 350.488 0.552 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275799743 861195753 /nfs/dbraw/zinc/19/57/53/861195753.db2.gz MZBLUNZGFIRFCS-CQSZACIVSA-N 2 1 350.488 0.552 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801167 861198480 /nfs/dbraw/zinc/19/84/80/861198480.db2.gz MGQLLIXABDUPGF-IEBWSBKVSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@]2(C1)C[NH+](C1CCCC1)CCO2 ZINC001275801167 861198483 /nfs/dbraw/zinc/19/84/83/861198483.db2.gz MGQLLIXABDUPGF-IEBWSBKVSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275801167 861198489 /nfs/dbraw/zinc/19/84/89/861198489.db2.gz MGQLLIXABDUPGF-IEBWSBKVSA-N 2 1 351.491 0.689 20 0 FCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275801167 861198495 /nfs/dbraw/zinc/19/84/95/861198495.db2.gz MGQLLIXABDUPGF-IEBWSBKVSA-N 2 1 351.491 0.689 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083825819 841467294 /nfs/dbraw/zinc/46/72/94/841467294.db2.gz MARNVUXFCJIIMC-XHSDSOJGSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083825819 841467302 /nfs/dbraw/zinc/46/73/02/841467302.db2.gz MARNVUXFCJIIMC-XHSDSOJGSA-N 2 1 350.463 0.594 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cs1 ZINC001083958533 841603440 /nfs/dbraw/zinc/60/34/40/841603440.db2.gz KRKUGZADZPBHKI-CABCVRRESA-N 2 1 350.488 0.251 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cs1 ZINC001083958533 841603448 /nfs/dbraw/zinc/60/34/48/841603448.db2.gz KRKUGZADZPBHKI-CABCVRRESA-N 2 1 350.488 0.251 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958831 841603781 /nfs/dbraw/zinc/60/37/81/841603781.db2.gz YCXQQIFDSBNKBF-ZACQAIPSSA-N 2 1 351.491 0.185 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083961713 841605938 /nfs/dbraw/zinc/60/59/38/841605938.db2.gz GWVBDWRFGHYPQK-HIFRSBDPSA-N 2 1 354.401 0.968 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251665 841755882 /nfs/dbraw/zinc/75/58/82/841755882.db2.gz VWXKZCADRZROHC-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251665 841755888 /nfs/dbraw/zinc/75/58/88/841755888.db2.gz VWXKZCADRZROHC-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251665 841755894 /nfs/dbraw/zinc/75/58/94/841755894.db2.gz VWXKZCADRZROHC-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001084251665 841755903 /nfs/dbraw/zinc/75/59/03/841755903.db2.gz VWXKZCADRZROHC-KZNAEPCWSA-N 2 1 351.491 0.666 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275879870 861242700 /nfs/dbraw/zinc/24/27/00/861242700.db2.gz QMFPPDKCAOONOO-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275879870 861242714 /nfs/dbraw/zinc/24/27/14/861242714.db2.gz QMFPPDKCAOONOO-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275879870 861242659 /nfs/dbraw/zinc/24/26/59/861242659.db2.gz QMFPPDKCAOONOO-PKOBYXMFSA-N 2 1 353.507 0.916 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880104 861245493 /nfs/dbraw/zinc/24/54/93/861245493.db2.gz UCALFPXVDUJWKF-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880104 861245503 /nfs/dbraw/zinc/24/55/03/861245503.db2.gz UCALFPXVDUJWKF-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880104 861245514 /nfs/dbraw/zinc/24/55/14/861245514.db2.gz UCALFPXVDUJWKF-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275880805 861245940 /nfs/dbraw/zinc/24/59/40/861245940.db2.gz WNANLWLAEIUCRN-IBGZPJMESA-N 3 1 352.523 0.583 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880064 861246446 /nfs/dbraw/zinc/24/64/46/861246446.db2.gz SUVNFLLLXIYWAC-BEFAXECRSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880064 861246454 /nfs/dbraw/zinc/24/64/54/861246454.db2.gz SUVNFLLLXIYWAC-BEFAXECRSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001275880064 861246464 /nfs/dbraw/zinc/24/64/64/861246464.db2.gz SUVNFLLLXIYWAC-BEFAXECRSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880064 861246471 /nfs/dbraw/zinc/24/64/71/861246471.db2.gz SUVNFLLLXIYWAC-BEFAXECRSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001084722311 841900757 /nfs/dbraw/zinc/90/07/57/841900757.db2.gz JINYQTBRKFZORV-RCCFBDPRSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001084722311 841900760 /nfs/dbraw/zinc/90/07/60/841900760.db2.gz JINYQTBRKFZORV-RCCFBDPRSA-N 2 1 351.491 0.668 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752068 841907735 /nfs/dbraw/zinc/90/77/35/841907735.db2.gz RBYDEVMOVNGYOY-BRWVUGGUSA-N 2 1 350.507 0.903 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752068 841907742 /nfs/dbraw/zinc/90/77/42/841907742.db2.gz RBYDEVMOVNGYOY-BRWVUGGUSA-N 2 1 350.507 0.903 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751833 841908411 /nfs/dbraw/zinc/90/84/11/841908411.db2.gz GNCRLUFBCDYITH-USXIJHARSA-N 2 1 350.507 0.774 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751833 841908416 /nfs/dbraw/zinc/90/84/16/841908416.db2.gz GNCRLUFBCDYITH-USXIJHARSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851825 841935404 /nfs/dbraw/zinc/93/54/04/841935404.db2.gz SVUCKKXMNKFIKL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851825 841935409 /nfs/dbraw/zinc/93/54/09/841935409.db2.gz SVUCKKXMNKFIKL-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085245933 842055447 /nfs/dbraw/zinc/05/54/47/842055447.db2.gz UXSQYACYRJHHRW-BZUAXINKSA-N 2 1 351.495 0.513 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085394070 842092591 /nfs/dbraw/zinc/09/25/91/842092591.db2.gz UIACRMQLSAZFHU-ARFHVFGLSA-N 2 1 351.495 0.370 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001085421988 842098453 /nfs/dbraw/zinc/09/84/53/842098453.db2.gz DFNLQNVBQVUWOW-GVDBMIGSSA-N 2 1 371.547 0.780 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001086090471 842118970 /nfs/dbraw/zinc/11/89/70/842118970.db2.gz AVTBWZAMSJBDLN-YIYPIFLZSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001086090471 842118983 /nfs/dbraw/zinc/11/89/83/842118983.db2.gz AVTBWZAMSJBDLN-YIYPIFLZSA-N 2 1 350.467 0.460 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC001086091020 842119301 /nfs/dbraw/zinc/11/93/01/842119301.db2.gz DMVIASAYEGDYJC-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001086120631 842122162 /nfs/dbraw/zinc/12/21/62/842122162.db2.gz HAGXUYJNUYNHGG-GUIRCDHDSA-N 2 1 368.503 0.855 20 0 FCADMP COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001086120631 842122167 /nfs/dbraw/zinc/12/21/67/842122167.db2.gz HAGXUYJNUYNHGG-GUIRCDHDSA-N 2 1 368.503 0.855 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001086370832 842128763 /nfs/dbraw/zinc/12/87/63/842128763.db2.gz BCUKMQZWOZIZBW-LUKYLMHMSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400572 842131352 /nfs/dbraw/zinc/13/13/52/842131352.db2.gz MYHKOPVCUUIYKV-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400572 842131355 /nfs/dbraw/zinc/13/13/55/842131355.db2.gz MYHKOPVCUUIYKV-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001086659323 842144694 /nfs/dbraw/zinc/14/46/94/842144694.db2.gz RVKOVCUVTPVOJG-BFHYXJOUSA-N 2 1 351.451 0.685 20 0 FCADMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001086659323 842144701 /nfs/dbraw/zinc/14/47/01/842144701.db2.gz RVKOVCUVTPVOJG-BFHYXJOUSA-N 2 1 351.451 0.685 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086712200 842158365 /nfs/dbraw/zinc/15/83/65/842158365.db2.gz VHJJVDMMKPNFMC-BBWFWOEESA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001086875189 842186907 /nfs/dbraw/zinc/18/69/07/842186907.db2.gz JWFDDXRDDURJJW-BFHYXJOUSA-N 2 1 350.467 0.462 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086875189 842186913 /nfs/dbraw/zinc/18/69/13/842186913.db2.gz JWFDDXRDDURJJW-BFHYXJOUSA-N 2 1 350.467 0.462 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001087038568 842235673 /nfs/dbraw/zinc/23/56/73/842235673.db2.gz NCWDMPXCEZXRHV-BMFZPTHFSA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001087038568 842235687 /nfs/dbraw/zinc/23/56/87/842235687.db2.gz NCWDMPXCEZXRHV-BMFZPTHFSA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087054848 842251407 /nfs/dbraw/zinc/25/14/07/842251407.db2.gz HEMNSTQPSMFZMF-MUIFIZLQSA-N 2 1 350.463 0.968 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087055290 842251958 /nfs/dbraw/zinc/25/19/58/842251958.db2.gz DUFFFKBVIZSVCR-RRCSTGOVSA-N 2 1 351.451 0.363 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087059421 842253742 /nfs/dbraw/zinc/25/37/42/842253742.db2.gz FBQIAGYWKMIUBV-UKRRQHHQSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087059415 842254464 /nfs/dbraw/zinc/25/44/64/842254464.db2.gz DMGRBYZTVQRJED-FVQBIDKESA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083751 842275776 /nfs/dbraw/zinc/27/57/76/842275776.db2.gz QUWLORZOYWCATG-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083357 842276814 /nfs/dbraw/zinc/27/68/14/842276814.db2.gz ASUUQXKLBCKCFQ-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083357 842276817 /nfs/dbraw/zinc/27/68/17/842276817.db2.gz ASUUQXKLBCKCFQ-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087097097 842286494 /nfs/dbraw/zinc/28/64/94/842286494.db2.gz VNYQNUUPGAAUHU-UKRRQHHQSA-N 2 1 365.503 0.587 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087101721 842291370 /nfs/dbraw/zinc/29/13/70/842291370.db2.gz YRIBAXSZRZPWIX-GVDBMIGSSA-N 2 1 350.463 0.681 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001087226428 842321444 /nfs/dbraw/zinc/32/14/44/842321444.db2.gz UDBJDVMOVLRAEM-KURKYZTESA-N 2 1 353.507 0.962 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087796635 842433366 /nfs/dbraw/zinc/43/33/66/842433366.db2.gz IHZBOXAHRFMKBR-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087796635 842433372 /nfs/dbraw/zinc/43/33/72/842433372.db2.gz IHZBOXAHRFMKBR-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087796635 842433374 /nfs/dbraw/zinc/43/33/74/842433374.db2.gz IHZBOXAHRFMKBR-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986386 842490935 /nfs/dbraw/zinc/49/09/35/842490935.db2.gz JAVMCCKOOHTIIB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986386 842490941 /nfs/dbraw/zinc/49/09/41/842490941.db2.gz JAVMCCKOOHTIIB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087986386 842490946 /nfs/dbraw/zinc/49/09/46/842490946.db2.gz JAVMCCKOOHTIIB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014110 842501031 /nfs/dbraw/zinc/50/10/31/842501031.db2.gz GTAQWDOXIWTIRC-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014110 842501036 /nfs/dbraw/zinc/50/10/36/842501036.db2.gz GTAQWDOXIWTIRC-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014110 842501041 /nfs/dbraw/zinc/50/10/41/842501041.db2.gz GTAQWDOXIWTIRC-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088014110 842501045 /nfs/dbraw/zinc/50/10/45/842501045.db2.gz GTAQWDOXIWTIRC-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088835855 842690355 /nfs/dbraw/zinc/69/03/55/842690355.db2.gz RLANVVDHIKQLRW-VYDXJSESSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088835855 842690363 /nfs/dbraw/zinc/69/03/63/842690363.db2.gz RLANVVDHIKQLRW-VYDXJSESSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088899225 842709603 /nfs/dbraw/zinc/70/96/03/842709603.db2.gz SMYSPPKJOZOYLJ-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088899225 842709608 /nfs/dbraw/zinc/70/96/08/842709608.db2.gz SMYSPPKJOZOYLJ-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088980868 842734210 /nfs/dbraw/zinc/73/42/10/842734210.db2.gz VDFQFLZSZRWJJW-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088980868 842734217 /nfs/dbraw/zinc/73/42/17/842734217.db2.gz VDFQFLZSZRWJJW-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088980868 842734223 /nfs/dbraw/zinc/73/42/23/842734223.db2.gz VDFQFLZSZRWJJW-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088980868 842734228 /nfs/dbraw/zinc/73/42/28/842734228.db2.gz VDFQFLZSZRWJJW-OIISXLGYSA-N 2 1 371.547 0.732 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001089588235 842774364 /nfs/dbraw/zinc/77/43/64/842774364.db2.gz GSTYEVVXCSMPHH-FVQBIDKESA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001089588235 842774370 /nfs/dbraw/zinc/77/43/70/842774370.db2.gz GSTYEVVXCSMPHH-FVQBIDKESA-N 2 1 350.467 0.269 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001091154013 842987127 /nfs/dbraw/zinc/98/71/27/842987127.db2.gz WJBMTQHJSAROAX-ZNMIVQPWSA-N 2 1 353.442 0.439 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091783928 843093786 /nfs/dbraw/zinc/09/37/86/843093786.db2.gz KTAIZGNAGDFBAN-MDZRGWNJSA-N 2 1 353.507 0.506 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910420 843122073 /nfs/dbraw/zinc/12/20/73/843122073.db2.gz WZVCKIVUZMODPD-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510761 843225765 /nfs/dbraw/zinc/22/57/65/843225765.db2.gz YSTTUKNWYHCEJX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092510761 843225774 /nfs/dbraw/zinc/22/57/74/843225774.db2.gz YSTTUKNWYHCEJX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092510761 843225783 /nfs/dbraw/zinc/22/57/83/843225783.db2.gz YSTTUKNWYHCEJX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093093621 843387569 /nfs/dbraw/zinc/38/75/69/843387569.db2.gz MRYIAJNSUCEIAM-OIISXLGYSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093093620 843387774 /nfs/dbraw/zinc/38/77/74/843387774.db2.gz MRYIAJNSUCEIAM-DJIMGWMZSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195394 843403974 /nfs/dbraw/zinc/40/39/74/843403974.db2.gz PWRIWYQNVAMQIJ-HYVNUMGLSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195394 843403979 /nfs/dbraw/zinc/40/39/79/843403979.db2.gz PWRIWYQNVAMQIJ-HYVNUMGLSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195394 843403983 /nfs/dbraw/zinc/40/39/83/843403983.db2.gz PWRIWYQNVAMQIJ-HYVNUMGLSA-N 2 1 371.547 0.447 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209231 843408816 /nfs/dbraw/zinc/40/88/16/843408816.db2.gz YVORPWZGTHNPFY-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209231 843408819 /nfs/dbraw/zinc/40/88/19/843408819.db2.gz YVORPWZGTHNPFY-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209231 843408822 /nfs/dbraw/zinc/40/88/22/843408822.db2.gz YVORPWZGTHNPFY-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)C1 ZINC001093209231 843408823 /nfs/dbraw/zinc/40/88/23/843408823.db2.gz YVORPWZGTHNPFY-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093281726 843420871 /nfs/dbraw/zinc/42/08/71/843420871.db2.gz UHIMOASVMVUJTL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001093825992 843475770 /nfs/dbraw/zinc/47/57/70/843475770.db2.gz VZXJSOXDJCDOLT-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001093857541 843480066 /nfs/dbraw/zinc/48/00/66/843480066.db2.gz KKPVSZADTOWVRR-AAVRWANBSA-N 2 1 353.492 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001093857541 843480073 /nfs/dbraw/zinc/48/00/73/843480073.db2.gz KKPVSZADTOWVRR-AAVRWANBSA-N 2 1 353.492 0.441 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)C1 ZINC001094232148 843537092 /nfs/dbraw/zinc/53/70/92/843537092.db2.gz MZSMCPAPQDKWDL-BMFZPTHFSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)C1 ZINC001094232148 843537108 /nfs/dbraw/zinc/53/71/08/843537108.db2.gz MZSMCPAPQDKWDL-BMFZPTHFSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)C1 ZINC001094232376 843537380 /nfs/dbraw/zinc/53/73/80/843537380.db2.gz VFCLYWINIULNPP-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)C1 ZINC001094232376 843537387 /nfs/dbraw/zinc/53/73/87/843537387.db2.gz VFCLYWINIULNPP-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC001094420389 843551065 /nfs/dbraw/zinc/55/10/65/843551065.db2.gz ZSBQOIUSPPABJQ-YKTARERQSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC001094420389 843551072 /nfs/dbraw/zinc/55/10/72/843551072.db2.gz ZSBQOIUSPPABJQ-YKTARERQSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC001094420389 843551078 /nfs/dbraw/zinc/55/10/78/843551078.db2.gz ZSBQOIUSPPABJQ-YKTARERQSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC001094457245 843554815 /nfs/dbraw/zinc/55/48/15/843554815.db2.gz YQNQJJMSZSQREQ-GPMSIDNRSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001094457245 843554823 /nfs/dbraw/zinc/55/48/23/843554823.db2.gz YQNQJJMSZSQREQ-GPMSIDNRSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001094457245 843554833 /nfs/dbraw/zinc/55/48/33/843554833.db2.gz YQNQJJMSZSQREQ-GPMSIDNRSA-N 2 1 350.507 0.953 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503531 843557562 /nfs/dbraw/zinc/55/75/62/843557562.db2.gz IYTYMGDXFKPHQM-VQIMIIECSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001097216144 843854228 /nfs/dbraw/zinc/85/42/28/843854228.db2.gz SBPFGLTVEPBBMY-ZJPYXAASSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001097216144 843854239 /nfs/dbraw/zinc/85/42/39/843854239.db2.gz SBPFGLTVEPBBMY-ZJPYXAASSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001097216144 843854247 /nfs/dbraw/zinc/85/42/47/843854247.db2.gz SBPFGLTVEPBBMY-ZJPYXAASSA-N 2 1 351.491 0.734 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccon3)CC2)CC[N@@H+]1C ZINC001098371502 843911019 /nfs/dbraw/zinc/91/10/19/843911019.db2.gz VGBVUDGUWQCUNX-RHSMWYFYSA-N 2 1 350.463 0.800 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccon3)CC2)CC[N@H+]1C ZINC001098371502 843911025 /nfs/dbraw/zinc/91/10/25/843911025.db2.gz VGBVUDGUWQCUNX-RHSMWYFYSA-N 2 1 350.463 0.800 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3ccon3)CC2)CC[NH+]1C ZINC001098371502 843911031 /nfs/dbraw/zinc/91/10/31/843911031.db2.gz VGBVUDGUWQCUNX-RHSMWYFYSA-N 2 1 350.463 0.800 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3ccon3)CC2)CC[NH+]1C ZINC001098371502 843911034 /nfs/dbraw/zinc/91/10/34/843911034.db2.gz VGBVUDGUWQCUNX-RHSMWYFYSA-N 2 1 350.463 0.800 20 0 FCADMP CC(C)=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404188 843914632 /nfs/dbraw/zinc/91/46/32/843914632.db2.gz HBFDLWYARCTBNI-SJLPKXTDSA-N 2 1 353.507 0.957 20 0 FCADMP CC(C)=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404188 843914639 /nfs/dbraw/zinc/91/46/39/843914639.db2.gz HBFDLWYARCTBNI-SJLPKXTDSA-N 2 1 353.507 0.957 20 0 FCADMP CC(C)=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404188 843914644 /nfs/dbraw/zinc/91/46/44/843914644.db2.gz HBFDLWYARCTBNI-SJLPKXTDSA-N 2 1 353.507 0.957 20 0 FCADMP CC(C)=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404188 843914648 /nfs/dbraw/zinc/91/46/48/843914648.db2.gz HBFDLWYARCTBNI-SJLPKXTDSA-N 2 1 353.507 0.957 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)C(N)=O)C3)CC1 ZINC001099101327 843962371 /nfs/dbraw/zinc/96/23/71/843962371.db2.gz SYWMMQSTIRKPLZ-ALKREAHSSA-N 2 1 350.507 0.951 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099223020 843978908 /nfs/dbraw/zinc/97/89/08/843978908.db2.gz BYFCFTRZVSCIFP-UPJWGTAASA-N 2 1 360.384 0.351 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001099254034 843992005 /nfs/dbraw/zinc/99/20/05/843992005.db2.gz DAMNWPFOGOXELR-IRCOFANPSA-N 2 1 350.385 0.181 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001099254034 843992011 /nfs/dbraw/zinc/99/20/11/843992011.db2.gz DAMNWPFOGOXELR-IRCOFANPSA-N 2 1 350.385 0.181 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993908 844681902 /nfs/dbraw/zinc/68/19/02/844681902.db2.gz IMPBNQCBBHPGJT-DJIMGWMZSA-N 2 1 350.507 0.491 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001103085318 844697659 /nfs/dbraw/zinc/69/76/59/844697659.db2.gz PSFXGKKYWDXCAR-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001103085318 844697667 /nfs/dbraw/zinc/69/76/67/844697667.db2.gz PSFXGKKYWDXCAR-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001103085318 844697668 /nfs/dbraw/zinc/69/76/68/844697668.db2.gz PSFXGKKYWDXCAR-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085177 844697859 /nfs/dbraw/zinc/69/78/59/844697859.db2.gz JPXMOKVVPJNQIS-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085177 844697862 /nfs/dbraw/zinc/69/78/62/844697862.db2.gz JPXMOKVVPJNQIS-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001103139969 844707162 /nfs/dbraw/zinc/70/71/62/844707162.db2.gz GSVONLMNAOICLR-DJIMGWMZSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268052 844728756 /nfs/dbraw/zinc/72/87/56/844728756.db2.gz OYCMXRUEGLASOU-QGPMSJSTSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308811 844734914 /nfs/dbraw/zinc/73/49/14/844734914.db2.gz IGAPWCLNJADZGQ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374613 844744943 /nfs/dbraw/zinc/74/49/43/844744943.db2.gz LDHLSMZEFVPZEA-HUUCEWRRSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378677 844746378 /nfs/dbraw/zinc/74/63/78/844746378.db2.gz DZLHLXPMOSRVPN-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378677 844746388 /nfs/dbraw/zinc/74/63/88/844746388.db2.gz DZLHLXPMOSRVPN-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398049 844750662 /nfs/dbraw/zinc/75/06/62/844750662.db2.gz ADHOBGLTBKLQDG-ZACQAIPSSA-N 2 1 351.495 0.270 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103433981 844756669 /nfs/dbraw/zinc/75/66/69/844756669.db2.gz QFLFVKYXZVTPPT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001103433981 844756675 /nfs/dbraw/zinc/75/66/75/844756675.db2.gz QFLFVKYXZVTPPT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001103433981 844756682 /nfs/dbraw/zinc/75/66/82/844756682.db2.gz QFLFVKYXZVTPPT-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436116 844757867 /nfs/dbraw/zinc/75/78/67/844757867.db2.gz LFOMPKCRCWNMRM-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436116 844757872 /nfs/dbraw/zinc/75/78/72/844757872.db2.gz LFOMPKCRCWNMRM-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436116 844757878 /nfs/dbraw/zinc/75/78/78/844757878.db2.gz LFOMPKCRCWNMRM-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438707 844758922 /nfs/dbraw/zinc/75/89/22/844758922.db2.gz XVICOPIZIZJQCL-IAGOWNOFSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438707 844758927 /nfs/dbraw/zinc/75/89/27/844758927.db2.gz XVICOPIZIZJQCL-IAGOWNOFSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H]1C[NH+](CCOCCO)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438707 844758930 /nfs/dbraw/zinc/75/89/30/844758930.db2.gz XVICOPIZIZJQCL-IAGOWNOFSA-N 2 1 355.523 0.801 20 0 FCADMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC3CCOCC3)C2)C1 ZINC001276608340 861496035 /nfs/dbraw/zinc/49/60/35/861496035.db2.gz CHOSGJMRGJAYBY-LJQANCHMSA-N 2 1 353.507 0.916 20 0 FCADMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(CC3CCOCC3)C2)C1 ZINC001276608340 861496040 /nfs/dbraw/zinc/49/60/40/861496040.db2.gz CHOSGJMRGJAYBY-LJQANCHMSA-N 2 1 353.507 0.916 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103550169 844778234 /nfs/dbraw/zinc/77/82/34/844778234.db2.gz CFAUTHHQIFNYEG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103614446 844787227 /nfs/dbraw/zinc/78/72/27/844787227.db2.gz NZNAAWAUMCNAGT-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103614446 844787235 /nfs/dbraw/zinc/78/72/35/844787235.db2.gz NZNAAWAUMCNAGT-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103614446 844787241 /nfs/dbraw/zinc/78/72/41/844787241.db2.gz NZNAAWAUMCNAGT-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642992 844793690 /nfs/dbraw/zinc/79/36/90/844793690.db2.gz CUOGFOZFPBTEBI-IAGOWNOFSA-N 2 1 351.495 0.536 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646846 844795057 /nfs/dbraw/zinc/79/50/57/844795057.db2.gz IFUIKSPSWXNKRV-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753381 844816269 /nfs/dbraw/zinc/81/62/69/844816269.db2.gz FUBQQRVXMVULQE-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629930 861505250 /nfs/dbraw/zinc/50/52/50/861505250.db2.gz FJFRDGYZHYONBP-QFBILLFUSA-N 2 1 350.507 0.668 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210965 844877783 /nfs/dbraw/zinc/87/77/83/844877783.db2.gz KUDJCDFAVWEDIL-QBPKDAKJSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104353850 844897230 /nfs/dbraw/zinc/89/72/30/844897230.db2.gz JQYRYCVPXLMQCH-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104376342 844903709 /nfs/dbraw/zinc/90/37/09/844903709.db2.gz ALXCQALEKLBYND-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678724 844932908 /nfs/dbraw/zinc/93/29/08/844932908.db2.gz ASPVHLLNLLOQRS-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680012 844932949 /nfs/dbraw/zinc/93/29/49/844932949.db2.gz OAVPIXKSVWRDAX-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001104794595 844944697 /nfs/dbraw/zinc/94/46/97/844944697.db2.gz CLGRDVYMYJUCGG-BZUAXINKSA-N 2 1 354.495 0.047 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104872408 844954054 /nfs/dbraw/zinc/95/40/54/844954054.db2.gz GJDXVUZIOLGGIL-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104908105 844958687 /nfs/dbraw/zinc/95/86/87/844958687.db2.gz JLMJTKJRTFVEGD-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001104938346 844961488 /nfs/dbraw/zinc/96/14/88/844961488.db2.gz UVCDWKVIYYAEFU-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001105010776 844969163 /nfs/dbraw/zinc/96/91/63/844969163.db2.gz ZCQWBGLBVCBDFD-OAGGEKHMSA-N 2 1 351.495 0.038 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)CC[N@@H+]1C ZINC001105243527 844983841 /nfs/dbraw/zinc/98/38/41/844983841.db2.gz BVTOXWIJWCTSKC-JKSUJKDBSA-N 2 1 350.467 0.128 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)CC[N@H+]1C ZINC001105243527 844983849 /nfs/dbraw/zinc/98/38/49/844983849.db2.gz BVTOXWIJWCTSKC-JKSUJKDBSA-N 2 1 350.467 0.128 20 0 FCADMP COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243539 844984295 /nfs/dbraw/zinc/98/42/95/844984295.db2.gz CTBREJYKQXOSPT-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243539 844984302 /nfs/dbraw/zinc/98/43/02/844984302.db2.gz CTBREJYKQXOSPT-XJKCOSOUSA-N 2 1 350.467 0.126 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105642923 845007368 /nfs/dbraw/zinc/00/73/68/845007368.db2.gz OUOACZCGARFBQY-JEWRLFTDSA-N 2 1 355.523 0.675 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105666915 845013948 /nfs/dbraw/zinc/01/39/48/845013948.db2.gz LBGFUPWASQLBBA-ZAWLATJESA-N 2 1 355.523 0.677 20 0 FCADMP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675498 845016872 /nfs/dbraw/zinc/01/68/72/845016872.db2.gz PSSAYDLYDNYXRB-RWQQGDIJSA-N 2 1 355.523 0.939 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106134540 845111009 /nfs/dbraw/zinc/11/10/09/845111009.db2.gz ZGDPPUHCMLPOOK-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149842 845115067 /nfs/dbraw/zinc/11/50/67/845115067.db2.gz VPCJCFQIJBHNPX-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106211070 845135384 /nfs/dbraw/zinc/13/53/84/845135384.db2.gz PPJXHWVZTMCLMR-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106321925 845153789 /nfs/dbraw/zinc/15/37/89/845153789.db2.gz HSFRDRKHIRMULI-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106322070 845154328 /nfs/dbraw/zinc/15/43/28/845154328.db2.gz IBXZIIIPIPFVLK-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352290 845161542 /nfs/dbraw/zinc/16/15/42/845161542.db2.gz MLWOYKCGRFDYRJ-MCIONIFRSA-N 2 1 354.451 0.041 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665811 845218372 /nfs/dbraw/zinc/21/83/72/845218372.db2.gz CDJVWNSGWKHNBV-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001106665827 845219051 /nfs/dbraw/zinc/21/90/51/845219051.db2.gz DCQKZDXAPCGHSO-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106874366 845274573 /nfs/dbraw/zinc/27/45/73/845274573.db2.gz FIHDKZPWUXBJDZ-BRWVUGGUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106874923 845276449 /nfs/dbraw/zinc/27/64/49/845276449.db2.gz ZFAJGSMXRVYZSM-HLLBOEOZSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106881317 845278335 /nfs/dbraw/zinc/27/83/35/845278335.db2.gz BTNXCVTXNYHEDR-DJIMGWMZSA-N 2 1 350.507 0.539 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C)C1CC1 ZINC001106981600 845299706 /nfs/dbraw/zinc/29/97/06/845299706.db2.gz WQBZDTCKPAMZJR-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)C1 ZINC001107009483 845309116 /nfs/dbraw/zinc/30/91/16/845309116.db2.gz SJFAXRYRIKMEJQ-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)C1 ZINC001107009483 845309126 /nfs/dbraw/zinc/30/91/26/845309126.db2.gz SJFAXRYRIKMEJQ-RBSFLKMASA-N 2 1 363.449 0.673 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444730 845375628 /nfs/dbraw/zinc/37/56/28/845375628.db2.gz YKXCXSZFINIYRC-VXIBKDFQSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CCOC1)CC2 ZINC001107609486 845407457 /nfs/dbraw/zinc/40/74/57/845407457.db2.gz URWFKKFCQNCKRY-ZHALLVOQSA-N 2 1 353.507 0.962 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632090 845411832 /nfs/dbraw/zinc/41/18/32/845411832.db2.gz PZPHILIECKZCNQ-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632090 845411839 /nfs/dbraw/zinc/41/18/39/845411839.db2.gz PZPHILIECKZCNQ-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632090 845411845 /nfs/dbraw/zinc/41/18/45/845411845.db2.gz PZPHILIECKZCNQ-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633903 845412136 /nfs/dbraw/zinc/41/21/36/845412136.db2.gz GCWQBGPCACJDSY-JFIYKMOQSA-N 2 1 350.463 0.560 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633903 845412140 /nfs/dbraw/zinc/41/21/40/845412140.db2.gz GCWQBGPCACJDSY-JFIYKMOQSA-N 2 1 350.463 0.560 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001109361307 845629303 /nfs/dbraw/zinc/62/93/03/845629303.db2.gz RSFBXBFILIMCKG-UGUYLWEFSA-N 2 1 352.458 0.680 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109653949 845705432 /nfs/dbraw/zinc/70/54/32/845705432.db2.gz OQEDQWGDBFZMFT-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653938 845705782 /nfs/dbraw/zinc/70/57/82/845705782.db2.gz ODAZJECBWUZENV-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001109733484 845723715 /nfs/dbraw/zinc/72/37/15/845723715.db2.gz QQUCJQUKRHIBOX-UGUYLWEFSA-N 2 1 374.551 0.330 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001109733484 845723719 /nfs/dbraw/zinc/72/37/19/845723719.db2.gz QQUCJQUKRHIBOX-UGUYLWEFSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798256 845737149 /nfs/dbraw/zinc/73/71/49/845737149.db2.gz BRWIEWJNNXHLKK-IKGGRYGDSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798256 845737155 /nfs/dbraw/zinc/73/71/55/845737155.db2.gz BRWIEWJNNXHLKK-IKGGRYGDSA-N 2 1 350.507 0.964 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CC1 ZINC001109848164 845747361 /nfs/dbraw/zinc/74/73/61/845747361.db2.gz ZIAOZBAIFFYUJJ-SQNIBIBYSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC1CC1 ZINC001109848164 845747365 /nfs/dbraw/zinc/74/73/65/845747365.db2.gz ZIAOZBAIFFYUJJ-SQNIBIBYSA-N 2 1 351.491 0.857 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109932388 845761965 /nfs/dbraw/zinc/76/19/65/845761965.db2.gz JDWNTFWVZBITFS-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109932388 845761975 /nfs/dbraw/zinc/76/19/75/845761975.db2.gz JDWNTFWVZBITFS-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109932388 845761981 /nfs/dbraw/zinc/76/19/81/845761981.db2.gz JDWNTFWVZBITFS-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109932388 845761996 /nfs/dbraw/zinc/76/19/96/845761996.db2.gz JDWNTFWVZBITFS-WCVJEAGWSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F ZINC001109979238 845771116 /nfs/dbraw/zinc/77/11/16/845771116.db2.gz XVDRPMMEHXIDFG-MQYQWHSLSA-N 2 1 367.412 0.599 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001110016477 845776786 /nfs/dbraw/zinc/77/67/86/845776786.db2.gz QDLSCRWSKKXUAU-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001110016477 845776788 /nfs/dbraw/zinc/77/67/88/845776788.db2.gz QDLSCRWSKKXUAU-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC ZINC001110016477 845776793 /nfs/dbraw/zinc/77/67/93/845776793.db2.gz QDLSCRWSKKXUAU-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001110016477 845776794 /nfs/dbraw/zinc/77/67/94/845776794.db2.gz QDLSCRWSKKXUAU-PMPSAXMXSA-N 2 1 374.551 0.379 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188657 845816585 /nfs/dbraw/zinc/81/65/85/845816585.db2.gz KXUQBJKOZRLHNN-BDXSIMOUSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(C3COC3)C2=O)CC1 ZINC001276796080 861613449 /nfs/dbraw/zinc/61/34/49/861613449.db2.gz VUIJPDQBQMZILS-VQIMIIECSA-N 2 1 353.507 0.839 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099317 846033570 /nfs/dbraw/zinc/03/35/70/846033570.db2.gz ABXSRAXKMVAMOW-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099317 846033574 /nfs/dbraw/zinc/03/35/74/846033574.db2.gz ABXSRAXKMVAMOW-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001111233112 846066121 /nfs/dbraw/zinc/06/61/21/846066121.db2.gz HYJNFOKRGZKOEF-ZACQAIPSSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001111233112 846066127 /nfs/dbraw/zinc/06/61/27/846066127.db2.gz HYJNFOKRGZKOEF-ZACQAIPSSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001111233112 846066133 /nfs/dbraw/zinc/06/61/33/846066133.db2.gz HYJNFOKRGZKOEF-ZACQAIPSSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001111233112 846066138 /nfs/dbraw/zinc/06/61/38/846066138.db2.gz HYJNFOKRGZKOEF-ZACQAIPSSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001111309422 846083544 /nfs/dbraw/zinc/08/35/44/846083544.db2.gz QDLSCRWSKKXUAU-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCNS(=O)(=O)CC ZINC001111309422 846083549 /nfs/dbraw/zinc/08/35/49/846083549.db2.gz QDLSCRWSKKXUAU-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC ZINC001111309422 846083552 /nfs/dbraw/zinc/08/35/52/846083552.db2.gz QDLSCRWSKKXUAU-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC ZINC001111309422 846083557 /nfs/dbraw/zinc/08/35/57/846083557.db2.gz QDLSCRWSKKXUAU-OAGGEKHMSA-N 2 1 374.551 0.379 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001111751328 846191645 /nfs/dbraw/zinc/19/16/45/846191645.db2.gz QITBBRVYPUXWSD-LNLFQRSKSA-N 2 1 351.491 0.308 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)CC[N@H+]1C ZINC001111851922 846230028 /nfs/dbraw/zinc/23/00/28/846230028.db2.gz UQUIIUULMJUJKD-DWRORGKVSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC[NH+]1C ZINC001111851922 846230037 /nfs/dbraw/zinc/23/00/37/846230037.db2.gz UQUIIUULMJUJKD-DWRORGKVSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)CC[NH+]1C ZINC001111851922 846230045 /nfs/dbraw/zinc/23/00/45/846230045.db2.gz UQUIIUULMJUJKD-DWRORGKVSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111854300 846231301 /nfs/dbraw/zinc/23/13/01/846231301.db2.gz NGKIBRPSWFPYOW-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111856059 846231453 /nfs/dbraw/zinc/23/14/53/846231453.db2.gz ZXYIXKALCUADQL-KXBFYZLASA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111856059 846231458 /nfs/dbraw/zinc/23/14/58/846231458.db2.gz ZXYIXKALCUADQL-KXBFYZLASA-N 2 1 350.507 0.825 20 0 FCADMP CC[C@H](C)[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276852280 861654479 /nfs/dbraw/zinc/65/44/79/861654479.db2.gz PJGWFQKCBQANOL-PKOBYXMFSA-N 2 1 352.523 0.726 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861500 846235906 /nfs/dbraw/zinc/23/59/06/846235906.db2.gz QJEIMKHKPRRDDY-LPHOPBHVSA-N 2 1 350.507 0.777 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871886 846239033 /nfs/dbraw/zinc/23/90/33/846239033.db2.gz PSBIXIVCOGJVAW-FCEWJHQRSA-N 2 1 353.507 0.696 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871886 846239037 /nfs/dbraw/zinc/23/90/37/846239037.db2.gz PSBIXIVCOGJVAW-FCEWJHQRSA-N 2 1 353.507 0.696 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871886 846239047 /nfs/dbraw/zinc/23/90/47/846239047.db2.gz PSBIXIVCOGJVAW-FCEWJHQRSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2)[NH+](C)C ZINC001111875038 846242061 /nfs/dbraw/zinc/24/20/61/846242061.db2.gz NQLVSXCXMYLWDY-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111925707 846261227 /nfs/dbraw/zinc/26/12/27/846261227.db2.gz GXEDUSQZJUHHLF-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111925707 846261233 /nfs/dbraw/zinc/26/12/33/846261233.db2.gz GXEDUSQZJUHHLF-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001111925707 846261240 /nfs/dbraw/zinc/26/12/40/846261240.db2.gz GXEDUSQZJUHHLF-DOXZYTNZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939632 846269731 /nfs/dbraw/zinc/26/97/31/846269731.db2.gz KJHTWSQFHYOGLN-MPGHIAIKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N1CCCC1)C2 ZINC001112004410 846290971 /nfs/dbraw/zinc/29/09/71/846290971.db2.gz AOTPCACEUWGWFH-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001112004410 846290983 /nfs/dbraw/zinc/29/09/83/846290983.db2.gz AOTPCACEUWGWFH-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001112004410 846290992 /nfs/dbraw/zinc/29/09/92/846290992.db2.gz AOTPCACEUWGWFH-LPHOPBHVSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005010 846292289 /nfs/dbraw/zinc/29/22/89/846292289.db2.gz SBGSTXOTONCZMJ-GJYPPUQNSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114155 846394318 /nfs/dbraw/zinc/39/43/18/846394318.db2.gz BKBVEHCOHORSQX-BZPMIXESSA-N 2 1 364.412 0.394 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)O1 ZINC001112121641 846399700 /nfs/dbraw/zinc/39/97/00/846399700.db2.gz XFFHMRBHKFKZHH-FDYHWXHSSA-N 2 1 353.385 0.067 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)O1 ZINC001112121641 846399711 /nfs/dbraw/zinc/39/97/11/846399711.db2.gz XFFHMRBHKFKZHH-FDYHWXHSSA-N 2 1 353.385 0.067 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112146072 846418804 /nfs/dbraw/zinc/41/88/04/846418804.db2.gz OECOMDXRIKBGQU-SYQHCUMBSA-N 2 1 367.412 0.457 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112151953 846419927 /nfs/dbraw/zinc/41/99/27/846419927.db2.gz CFUFHDUBIZHLBS-MCIONIFRSA-N 2 1 367.412 0.457 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112151953 846419928 /nfs/dbraw/zinc/41/99/28/846419928.db2.gz CFUFHDUBIZHLBS-MCIONIFRSA-N 2 1 367.412 0.457 20 0 FCADMP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112159025 846426023 /nfs/dbraw/zinc/42/60/23/846426023.db2.gz LPWGEHIOBJOLOH-IJLUTSLNSA-N 2 1 350.385 0.148 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001112189976 846449293 /nfs/dbraw/zinc/44/92/93/846449293.db2.gz GCQKTMDADIQXLF-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001112189976 846449297 /nfs/dbraw/zinc/44/92/97/846449297.db2.gz GCQKTMDADIQXLF-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112196477 846454844 /nfs/dbraw/zinc/45/48/44/846454844.db2.gz MNWHCQNYOQQGTD-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112196477 846454851 /nfs/dbraw/zinc/45/48/51/846454851.db2.gz MNWHCQNYOQQGTD-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196661 846455845 /nfs/dbraw/zinc/45/58/45/846455845.db2.gz XHKAOKGYJLWWFF-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212328 846470400 /nfs/dbraw/zinc/47/04/00/846470400.db2.gz ZOUGOCXPBAMNKY-IJLUTSLNSA-N 2 1 352.401 0.440 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212328 846470404 /nfs/dbraw/zinc/47/04/04/846470404.db2.gz ZOUGOCXPBAMNKY-IJLUTSLNSA-N 2 1 352.401 0.440 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410664 846501969 /nfs/dbraw/zinc/50/19/69/846501969.db2.gz KACOMMAPIOVZQM-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112529837 846516169 /nfs/dbraw/zinc/51/61/69/846516169.db2.gz RFEGUYYSIVMBLK-LNLFQRSKSA-N 2 1 353.507 0.555 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001112583475 846531336 /nfs/dbraw/zinc/53/13/36/846531336.db2.gz UHEFVYZCSGPMIG-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583475 846531343 /nfs/dbraw/zinc/53/13/43/846531343.db2.gz UHEFVYZCSGPMIG-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@@]3(CC2=O)COCC[N@H+](C2CC2)C3)CC1 ZINC001276937695 861697186 /nfs/dbraw/zinc/69/71/86/861697186.db2.gz FXUBIYCWWMSUTG-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC2=O)COCC[N@@H+](C2CC2)C3)CC1 ZINC001276937695 861697199 /nfs/dbraw/zinc/69/71/99/861697199.db2.gz FXUBIYCWWMSUTG-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP CN1CC[NH+](CCCN2C[C@@]3(CC2=O)COCC[N@H+](C2CC2)C3)CC1 ZINC001276937695 861697207 /nfs/dbraw/zinc/69/72/07/861697207.db2.gz FXUBIYCWWMSUTG-IBGZPJMESA-N 2 1 350.507 0.337 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001116952413 846817657 /nfs/dbraw/zinc/81/76/57/846817657.db2.gz GQPQVHLDOLONJN-YYIAUSFCSA-N 2 1 352.523 0.879 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)n1C ZINC001117292088 846942153 /nfs/dbraw/zinc/94/21/53/846942153.db2.gz AFGVGFYDCIFDHK-KBPBESRZSA-N 2 1 350.467 0.091 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)N1CC[NH2+]CC1 ZINC001118223214 847330836 /nfs/dbraw/zinc/33/08/36/847330836.db2.gz OCONDZQYVMKNOJ-ZDUSSCGKSA-N 2 1 365.865 0.817 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](N)CC[NH+](C)C)CC2)oc1C ZINC001118337304 847387846 /nfs/dbraw/zinc/38/78/46/847387846.db2.gz MHFIZXZWTMDIGX-INIZCTEOSA-N 2 1 351.495 0.899 20 0 FCADMP O=C(NCC[N@@H+]1CCCOCC1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001119297325 847806012 /nfs/dbraw/zinc/80/60/12/847806012.db2.gz JEWLQSGHWZXIOC-NSHDSACASA-N 2 1 358.393 0.202 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001119297325 847806015 /nfs/dbraw/zinc/80/60/15/847806015.db2.gz JEWLQSGHWZXIOC-NSHDSACASA-N 2 1 358.393 0.202 20 0 FCADMP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001120502848 848223791 /nfs/dbraw/zinc/22/37/91/848223791.db2.gz GEGXAMAWLKQJFH-MAUKXSAKSA-N 2 1 352.431 0.259 20 0 FCADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC001120503958 848224405 /nfs/dbraw/zinc/22/44/05/848224405.db2.gz CTNIJWWBQOWASH-HNNXBMFYSA-N 2 1 352.479 0.845 20 0 FCADMP C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)C(=O)N(C)C ZINC001121133611 848322034 /nfs/dbraw/zinc/32/20/34/848322034.db2.gz DZSKJBVOOHBSRA-WFHVLEQDSA-N 2 1 350.507 0.820 20 0 FCADMP Cc1sc(C[NH3+])nc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001121917094 848415843 /nfs/dbraw/zinc/41/58/43/848415843.db2.gz ODLBCRFVSGSCOX-GFCCVEGCSA-N 2 1 353.492 0.583 20 0 FCADMP Cc1sc(C[NH3+])nc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001121917094 848415848 /nfs/dbraw/zinc/41/58/48/848415848.db2.gz ODLBCRFVSGSCOX-GFCCVEGCSA-N 2 1 353.492 0.583 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C[C@@]2(O)CCC[NH2+]C2)c2cccs2)CC1 ZINC001121927629 848420051 /nfs/dbraw/zinc/42/00/51/848420051.db2.gz ZTOOIEPRMMUCJG-QAPCUYQASA-N 2 1 366.531 0.657 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001122055144 848441281 /nfs/dbraw/zinc/44/12/81/848441281.db2.gz GROBAFDWQLTHDW-KBUPBQIOSA-N 2 1 357.520 0.246 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001123663821 848622063 /nfs/dbraw/zinc/62/20/63/848622063.db2.gz HYSKOMXJDCHTDG-SPUZQDLCSA-N 2 1 350.507 0.259 20 0 FCADMP COc1ccoc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277550401 861928970 /nfs/dbraw/zinc/92/89/70/861928970.db2.gz AIAFOOZJPCVMLS-SFHVURJKSA-N 2 1 351.447 0.901 20 0 FCADMP COc1ccoc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277550401 861928979 /nfs/dbraw/zinc/92/89/79/861928979.db2.gz AIAFOOZJPCVMLS-SFHVURJKSA-N 2 1 351.447 0.901 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001127707228 848734299 /nfs/dbraw/zinc/73/42/99/848734299.db2.gz WIUARNFNCDHCFS-JKSUJKDBSA-N 2 1 350.463 0.674 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001129029878 848798185 /nfs/dbraw/zinc/79/81/85/848798185.db2.gz NMNRONVHNHCCGT-OAGGEKHMSA-N 2 1 352.458 0.710 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052295 848799503 /nfs/dbraw/zinc/79/95/03/848799503.db2.gz BHQBEKIJTBOHBP-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052295 848799508 /nfs/dbraw/zinc/79/95/08/848799508.db2.gz BHQBEKIJTBOHBP-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052295 848799511 /nfs/dbraw/zinc/79/95/11/848799511.db2.gz BHQBEKIJTBOHBP-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052295 848799513 /nfs/dbraw/zinc/79/95/13/848799513.db2.gz BHQBEKIJTBOHBP-BMFZPTHFSA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052797 848800652 /nfs/dbraw/zinc/80/06/52/848800652.db2.gz NABYIPUFDFCRHO-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052797 848800660 /nfs/dbraw/zinc/80/06/60/848800660.db2.gz NABYIPUFDFCRHO-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052797 848800668 /nfs/dbraw/zinc/80/06/68/848800668.db2.gz NABYIPUFDFCRHO-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129059855 848801208 /nfs/dbraw/zinc/80/12/08/848801208.db2.gz GRPFGGPNDVEUIB-PMPSAXMXSA-N 2 1 352.483 0.242 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090059 848804892 /nfs/dbraw/zinc/80/48/92/848804892.db2.gz SQWAEDYYYSMDSP-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090059 848804899 /nfs/dbraw/zinc/80/48/99/848804899.db2.gz SQWAEDYYYSMDSP-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090059 848804907 /nfs/dbraw/zinc/80/49/07/848804907.db2.gz SQWAEDYYYSMDSP-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090059 848804916 /nfs/dbraw/zinc/80/49/16/848804916.db2.gz SQWAEDYYYSMDSP-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129090059 848804926 /nfs/dbraw/zinc/80/49/26/848804926.db2.gz SQWAEDYYYSMDSP-KFWWJZLASA-N 2 1 352.483 0.385 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1n1ccnn1 ZINC001129219897 848819616 /nfs/dbraw/zinc/81/96/16/848819616.db2.gz MTTHYEPSASHPTP-CVEARBPZSA-N 2 1 362.503 0.876 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348681 848834126 /nfs/dbraw/zinc/83/41/26/848834126.db2.gz YRYYUXBPNNOKOP-CVEARBPZSA-N 2 1 350.467 0.139 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393256 848839164 /nfs/dbraw/zinc/83/91/64/848839164.db2.gz FTVBKVJWUUGLBK-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129453942 848846383 /nfs/dbraw/zinc/84/63/83/848846383.db2.gz RKNLLWMNOWJUEH-CVEARBPZSA-N 2 1 352.458 0.855 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465935 848848119 /nfs/dbraw/zinc/84/81/19/848848119.db2.gz UONLAWUQCMAQRF-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465935 848848126 /nfs/dbraw/zinc/84/81/26/848848126.db2.gz UONLAWUQCMAQRF-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465935 848848133 /nfs/dbraw/zinc/84/81/33/848848133.db2.gz UONLAWUQCMAQRF-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129919175 848916226 /nfs/dbraw/zinc/91/62/26/848916226.db2.gz PLPIUUZOQNSBTM-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005765 848930020 /nfs/dbraw/zinc/93/00/20/848930020.db2.gz GPRDQZVAHNURMV-LOHLBIGBSA-N 2 1 352.870 0.714 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130040697 848935523 /nfs/dbraw/zinc/93/55/23/848935523.db2.gz HOKMNLFMANXHCX-AQHAOUESSA-N 2 1 368.869 0.094 20 0 FCADMP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1)OC ZINC001130081497 848941315 /nfs/dbraw/zinc/94/13/15/848941315.db2.gz RRBTWSRQQBYPPO-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130097000 848944576 /nfs/dbraw/zinc/94/45/76/848944576.db2.gz XOKBMJYTECEUAE-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001130238047 848985310 /nfs/dbraw/zinc/98/53/10/848985310.db2.gz QMEVFAVPKBJPFP-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130238047 848985317 /nfs/dbraw/zinc/98/53/17/848985317.db2.gz QMEVFAVPKBJPFP-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130238047 848985323 /nfs/dbraw/zinc/98/53/23/848985323.db2.gz QMEVFAVPKBJPFP-RDBSUJKOSA-N 2 1 350.467 0.245 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130244303 848986529 /nfs/dbraw/zinc/98/65/29/848986529.db2.gz FVRIOXKFOWQSIS-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130244303 848986533 /nfs/dbraw/zinc/98/65/33/848986533.db2.gz FVRIOXKFOWQSIS-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130244303 848986536 /nfs/dbraw/zinc/98/65/36/848986536.db2.gz FVRIOXKFOWQSIS-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1 ZINC001130244303 848986538 /nfs/dbraw/zinc/98/65/38/848986538.db2.gz FVRIOXKFOWQSIS-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1 ZINC001130244303 848986545 /nfs/dbraw/zinc/98/65/45/848986545.db2.gz FVRIOXKFOWQSIS-KBPBESRZSA-N 2 1 352.483 0.633 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130706727 849027865 /nfs/dbraw/zinc/02/78/65/849027865.db2.gz VNRBQUNMMPWIMY-YQQAZPJKSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130816103 849048200 /nfs/dbraw/zinc/04/82/00/849048200.db2.gz KVFIHLJIMRXVGG-QWHCGFSZSA-N 2 1 356.446 0.542 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001131020081 849071620 /nfs/dbraw/zinc/07/16/20/849071620.db2.gz KLDRECZBZZMWBQ-RBSFLKMASA-N 2 1 351.495 0.415 20 0 FCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131605027 849129319 /nfs/dbraw/zinc/12/93/19/849129319.db2.gz SWSLPEXVDKSDEV-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+](C)CCN1CCN(Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139318755 849336073 /nfs/dbraw/zinc/33/60/73/849336073.db2.gz GLSGBDFNAPARSP-UHFFFAOYSA-N 2 1 352.552 0.574 20 0 FCADMP C[NH+]1CC(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)C1 ZINC001142599070 849454354 /nfs/dbraw/zinc/45/43/54/849454354.db2.gz NMAKCRHJLZTIHI-HIFRSBDPSA-N 2 1 352.479 0.605 20 0 FCADMP CC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001277712567 862025088 /nfs/dbraw/zinc/02/50/88/862025088.db2.gz JUCLRNRADIYHMY-MJGOQNOKSA-N 2 1 352.523 0.319 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734094 849646957 /nfs/dbraw/zinc/64/69/57/849646957.db2.gz SSDOSBSOKGPNES-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734094 849646959 /nfs/dbraw/zinc/64/69/59/849646959.db2.gz SSDOSBSOKGPNES-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734094 849646960 /nfs/dbraw/zinc/64/69/60/849646960.db2.gz SSDOSBSOKGPNES-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734094 849646961 /nfs/dbraw/zinc/64/69/61/849646961.db2.gz SSDOSBSOKGPNES-BZUAXINKSA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@@H+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484654 849748200 /nfs/dbraw/zinc/74/82/00/849748200.db2.gz DUZAMCOFOCBFAO-BZUAXINKSA-N 2 1 355.527 0.861 20 0 FCADMP CC[NH+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153484654 849748208 /nfs/dbraw/zinc/74/82/08/849748208.db2.gz DUZAMCOFOCBFAO-BZUAXINKSA-N 2 1 355.527 0.861 20 0 FCADMP CC[NH+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153484654 849748215 /nfs/dbraw/zinc/74/82/15/849748215.db2.gz DUZAMCOFOCBFAO-BZUAXINKSA-N 2 1 355.527 0.861 20 0 FCADMP O=c1cc(CNc2nc(Cl)nc3c2CC[NH2+]C3)nc2n1CCC[NH2+]C2 ZINC001155487373 849856346 /nfs/dbraw/zinc/85/63/46/849856346.db2.gz BBQOQTNPWAXIMQ-UHFFFAOYSA-N 2 1 361.837 0.438 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157082675 849945070 /nfs/dbraw/zinc/94/50/70/849945070.db2.gz NFZAUCPDDLKPDR-RDBSUJKOSA-N 2 1 352.435 0.546 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001158384923 850044431 /nfs/dbraw/zinc/04/44/31/850044431.db2.gz TYJDCHVJKVSJCC-LSDHHAIUSA-N 2 1 365.396 0.870 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428529 850048667 /nfs/dbraw/zinc/04/86/67/850048667.db2.gz HZUUUAIPGWTULA-YNEHKIRRSA-N 2 1 353.492 0.906 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1C ZINC001158413161 850048721 /nfs/dbraw/zinc/04/87/21/850048721.db2.gz WSSKWCNCTSLCOR-HRCADAONSA-N 2 1 354.495 0.060 20 0 FCADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159560436 850121079 /nfs/dbraw/zinc/12/10/79/850121079.db2.gz LYRCYARSOASJIF-AWEZNQCLSA-N 2 1 366.535 0.277 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@@H]2C ZINC001159633031 850124696 /nfs/dbraw/zinc/12/46/96/850124696.db2.gz FIDGQHPJGSCNTD-GNKUIDOVSA-N 2 1 369.535 0.722 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2ccccc2F)O1 ZINC001160858009 850207944 /nfs/dbraw/zinc/20/79/44/850207944.db2.gz WFGYAATXQBOQBA-XOKHGSTOSA-N 2 1 353.438 0.674 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@H](O)c2ccccc2F)O1 ZINC001160858009 850207956 /nfs/dbraw/zinc/20/79/56/850207956.db2.gz WFGYAATXQBOQBA-XOKHGSTOSA-N 2 1 353.438 0.674 20 0 FCADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051354 850225965 /nfs/dbraw/zinc/22/59/65/850225965.db2.gz UEUPISMVRPPINE-GJZGRUSLSA-N 2 1 357.520 0.342 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001161174896 850237939 /nfs/dbraw/zinc/23/79/39/850237939.db2.gz FYFVIYNAFJNIRA-ZNMIVQPWSA-N 2 1 354.495 0.045 20 0 FCADMP O=C(C1CC[NH2+]CC1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196469 850239016 /nfs/dbraw/zinc/23/90/16/850239016.db2.gz IYKXDGMBCCAGDE-UHFFFAOYSA-N 3 1 352.523 0.537 20 0 FCADMP N[C@@H](C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)C(F)(F)F ZINC001161198119 850239165 /nfs/dbraw/zinc/23/91/65/850239165.db2.gz LQZRRKSVLJRGNO-AWEZNQCLSA-N 2 1 366.428 0.427 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381621 850255300 /nfs/dbraw/zinc/25/53/00/850255300.db2.gz YNEAMHFODARSHV-WDYCEAGBSA-N 3 1 350.507 0.559 20 0 FCADMP C[N@@H+]1CCO[C@H](CNc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001162693731 850327181 /nfs/dbraw/zinc/32/71/81/850327181.db2.gz JILRFYSTEOALDQ-MRXNPFEDSA-N 2 1 368.503 0.459 20 0 FCADMP C[N@H+]1CCO[C@H](CNc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001162693731 850327188 /nfs/dbraw/zinc/32/71/88/850327188.db2.gz JILRFYSTEOALDQ-MRXNPFEDSA-N 2 1 368.503 0.459 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC(F)F)C2=O)C1 ZINC001277833751 862120844 /nfs/dbraw/zinc/12/08/44/862120844.db2.gz GTHXAEBGPVRCPY-GUYCJALGSA-N 2 1 361.433 0.795 20 0 FCADMP CCS(=O)(=O)N1CCC(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC001164311723 850405626 /nfs/dbraw/zinc/40/56/26/850405626.db2.gz SVRBYLNYRKEAGU-UHFFFAOYSA-N 2 1 354.480 0.112 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001170871694 850668795 /nfs/dbraw/zinc/66/87/95/850668795.db2.gz QXOBSTDDGMVNQH-HZSPNIEDSA-N 2 1 355.483 0.176 20 0 FCADMP CC(C)(C)OC(=O)CN1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001172883537 850715091 /nfs/dbraw/zinc/71/50/91/850715091.db2.gz SFFWFUQONFJITC-UHFFFAOYSA-N 2 1 359.511 0.059 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001178731591 850921579 /nfs/dbraw/zinc/92/15/79/850921579.db2.gz YRPPGRUOZFAJRB-WTTBNOFXSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]2C)CC[N@H+]1C ZINC001178735672 850922746 /nfs/dbraw/zinc/92/27/46/850922746.db2.gz ASRSOGXAWUUPLQ-YHUYYLMFSA-N 2 1 359.536 0.730 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981637 850942883 /nfs/dbraw/zinc/94/28/83/850942883.db2.gz ASSRPBPFOIDHIN-FXUDXRNXSA-N 2 1 354.495 0.153 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981637 850942889 /nfs/dbraw/zinc/94/28/89/850942889.db2.gz ASSRPBPFOIDHIN-FXUDXRNXSA-N 2 1 354.495 0.153 20 0 FCADMP CS(=O)(=O)N(CC[NH3+])C(=O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181482734 851114726 /nfs/dbraw/zinc/11/47/26/851114726.db2.gz LOGSODKFQGVRGW-UHFFFAOYSA-N 2 1 351.472 0.788 20 0 FCADMP CS(=O)(=O)N(CC[NH3+])C(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181482734 851114731 /nfs/dbraw/zinc/11/47/31/851114731.db2.gz LOGSODKFQGVRGW-UHFFFAOYSA-N 2 1 351.472 0.788 20 0 FCADMP CNC(=O)C[NH+]1CCCC12CCN(C(=O)[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001181976585 851143132 /nfs/dbraw/zinc/14/31/32/851143132.db2.gz XLQQCPRQSFLGHH-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001278232312 862265851 /nfs/dbraw/zinc/26/58/51/862265851.db2.gz UEFMUDTWSJYRML-MSOLQXFVSA-N 2 1 353.507 0.866 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001188107152 851645671 /nfs/dbraw/zinc/64/56/71/851645671.db2.gz IGNDNECYBQVYPC-HRCADAONSA-N 2 1 356.486 0.724 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCOCCOC)C[C@H]21 ZINC001188107801 851646644 /nfs/dbraw/zinc/64/66/44/851646644.db2.gz YYZZMAJIQKHAJC-GVDBMIGSSA-N 2 1 359.486 0.862 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212931 851659250 /nfs/dbraw/zinc/65/92/50/851659250.db2.gz PYQZUDMPTNQUJU-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212931 851659253 /nfs/dbraw/zinc/65/92/53/851659253.db2.gz PYQZUDMPTNQUJU-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H](C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212931 851659257 /nfs/dbraw/zinc/65/92/57/851659257.db2.gz PYQZUDMPTNQUJU-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@H](C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001188212931 851659262 /nfs/dbraw/zinc/65/92/62/851659262.db2.gz PYQZUDMPTNQUJU-HLLBOEOZSA-N 2 1 371.547 0.684 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219313 851660143 /nfs/dbraw/zinc/66/01/43/851660143.db2.gz LWQJTTKPTNVWGH-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219313 851660146 /nfs/dbraw/zinc/66/01/46/851660146.db2.gz LWQJTTKPTNVWGH-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219313 851660154 /nfs/dbraw/zinc/66/01/54/851660154.db2.gz LWQJTTKPTNVWGH-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219313 851660159 /nfs/dbraw/zinc/66/01/59/851660159.db2.gz LWQJTTKPTNVWGH-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188247214 851661565 /nfs/dbraw/zinc/66/15/65/851661565.db2.gz SKYMZWWVCWUVMK-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188247214 851661566 /nfs/dbraw/zinc/66/15/66/851661566.db2.gz SKYMZWWVCWUVMK-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188247214 851661569 /nfs/dbraw/zinc/66/15/69/851661569.db2.gz SKYMZWWVCWUVMK-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188247214 851661570 /nfs/dbraw/zinc/66/15/70/851661570.db2.gz SKYMZWWVCWUVMK-YESZJQIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]32)O1 ZINC001188323312 851669836 /nfs/dbraw/zinc/66/98/36/851669836.db2.gz VCJSAIIKBFJPBO-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]32)O1 ZINC001188323312 851669842 /nfs/dbraw/zinc/66/98/42/851669842.db2.gz VCJSAIIKBFJPBO-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)O1 ZINC001188323312 851669845 /nfs/dbraw/zinc/66/98/45/851669845.db2.gz VCJSAIIKBFJPBO-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)O1 ZINC001188323312 851669852 /nfs/dbraw/zinc/66/98/52/851669852.db2.gz VCJSAIIKBFJPBO-BZZMCLGOSA-N 2 1 351.491 0.665 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690785 851720435 /nfs/dbraw/zinc/72/04/35/851720435.db2.gz QOKTWTPQWQOPCB-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690785 851720443 /nfs/dbraw/zinc/72/04/43/851720443.db2.gz QOKTWTPQWQOPCB-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931852 851734014 /nfs/dbraw/zinc/73/40/14/851734014.db2.gz LEUKPWXEDDBVCI-LUKYLMHMSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931852 851734005 /nfs/dbraw/zinc/73/40/05/851734005.db2.gz LEUKPWXEDDBVCI-LUKYLMHMSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931852 851734009 /nfs/dbraw/zinc/73/40/09/851734009.db2.gz LEUKPWXEDDBVCI-LUKYLMHMSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931852 851734012 /nfs/dbraw/zinc/73/40/12/851734012.db2.gz LEUKPWXEDDBVCI-LUKYLMHMSA-N 2 1 350.507 0.774 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979178 851739262 /nfs/dbraw/zinc/73/92/62/851739262.db2.gz KFYYVOIPFJOGHT-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979178 851739268 /nfs/dbraw/zinc/73/92/68/851739268.db2.gz KFYYVOIPFJOGHT-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001189034371 851743881 /nfs/dbraw/zinc/74/38/81/851743881.db2.gz JDGXXCRVMCWBMN-BHYGNILZSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001189034371 851743889 /nfs/dbraw/zinc/74/38/89/851743889.db2.gz JDGXXCRVMCWBMN-BHYGNILZSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001189312919 851777633 /nfs/dbraw/zinc/77/76/33/851777633.db2.gz YVXSDOUIWUCYGE-OKZBNKHCSA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189477984 851794108 /nfs/dbraw/zinc/79/41/08/851794108.db2.gz LZQDDOCTZNEAPV-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189477984 851794115 /nfs/dbraw/zinc/79/41/15/851794115.db2.gz LZQDDOCTZNEAPV-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001189612247 851808671 /nfs/dbraw/zinc/80/86/71/851808671.db2.gz LVDZMYFMQGJSAT-ZWKOTPCHSA-N 2 1 353.507 0.648 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669236 851814326 /nfs/dbraw/zinc/81/43/26/851814326.db2.gz UUCZTARSNBRDDL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669236 851814331 /nfs/dbraw/zinc/81/43/31/851814331.db2.gz UUCZTARSNBRDDL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669236 851814334 /nfs/dbraw/zinc/81/43/34/851814334.db2.gz UUCZTARSNBRDDL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001189811014 851826798 /nfs/dbraw/zinc/82/67/98/851826798.db2.gz RDCPGMGKQZLIBE-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913482 851841800 /nfs/dbraw/zinc/84/18/00/851841800.db2.gz RZGYGHIMKQWSME-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913482 851841808 /nfs/dbraw/zinc/84/18/08/851841808.db2.gz RZGYGHIMKQWSME-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913482 851841812 /nfs/dbraw/zinc/84/18/12/851841812.db2.gz RZGYGHIMKQWSME-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001189922940 851843538 /nfs/dbraw/zinc/84/35/38/851843538.db2.gz HCAKLYWLYDZWFU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189922940 851843540 /nfs/dbraw/zinc/84/35/40/851843540.db2.gz HCAKLYWLYDZWFU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189922940 851843555 /nfs/dbraw/zinc/84/35/55/851843555.db2.gz HCAKLYWLYDZWFU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCOCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237414 851881059 /nfs/dbraw/zinc/88/10/59/851881059.db2.gz BNVUXPLINBARCQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237414 851881066 /nfs/dbraw/zinc/88/10/66/851881066.db2.gz BNVUXPLINBARCQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237414 851881068 /nfs/dbraw/zinc/88/10/68/851881068.db2.gz BNVUXPLINBARCQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237414 851881074 /nfs/dbraw/zinc/88/10/74/851881074.db2.gz BNVUXPLINBARCQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237414 851881077 /nfs/dbraw/zinc/88/10/77/851881077.db2.gz BNVUXPLINBARCQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001190238043 851882192 /nfs/dbraw/zinc/88/21/92/851882192.db2.gz IGXHYYZOTYPZDH-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001190238043 851882194 /nfs/dbraw/zinc/88/21/94/851882194.db2.gz IGXHYYZOTYPZDH-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001190238043 851882195 /nfs/dbraw/zinc/88/21/95/851882195.db2.gz IGXHYYZOTYPZDH-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001190238043 851882197 /nfs/dbraw/zinc/88/21/97/851882197.db2.gz IGXHYYZOTYPZDH-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001190350848 851895288 /nfs/dbraw/zinc/89/52/88/851895288.db2.gz LLWHVOADRUVBQH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001190350848 851895291 /nfs/dbraw/zinc/89/52/91/851895291.db2.gz LLWHVOADRUVBQH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001190350848 851895296 /nfs/dbraw/zinc/89/52/96/851895296.db2.gz LLWHVOADRUVBQH-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363403 851896218 /nfs/dbraw/zinc/89/62/18/851896218.db2.gz KAUOLIOARMEFAF-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363403 851896211 /nfs/dbraw/zinc/89/62/11/851896211.db2.gz KAUOLIOARMEFAF-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363403 851896215 /nfs/dbraw/zinc/89/62/15/851896215.db2.gz KAUOLIOARMEFAF-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363403 851896219 /nfs/dbraw/zinc/89/62/19/851896219.db2.gz KAUOLIOARMEFAF-IXDOHACOSA-N 2 1 371.547 0.684 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC001278462878 862337092 /nfs/dbraw/zinc/33/70/92/862337092.db2.gz AAWYMFPYIOYCIM-ULQDDVLXSA-N 2 1 350.507 0.097 20 0 FCADMP CN(CC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)C(=O)OC(C)(C)C ZINC001278480389 862346993 /nfs/dbraw/zinc/34/69/93/862346993.db2.gz PVRQBGDAXBKPST-HOTGVXAUSA-N 2 1 356.511 0.800 20 0 FCADMP CN(CC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)C(=O)OC(C)(C)C ZINC001278480389 862347009 /nfs/dbraw/zinc/34/70/09/862347009.db2.gz PVRQBGDAXBKPST-HOTGVXAUSA-N 2 1 356.511 0.800 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193456001 852430122 /nfs/dbraw/zinc/43/01/22/852430122.db2.gz JVAYBMSKXHRVQK-GVDBMIGSSA-N 2 1 359.486 0.644 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193456001 852430127 /nfs/dbraw/zinc/43/01/27/852430127.db2.gz JVAYBMSKXHRVQK-GVDBMIGSSA-N 2 1 359.486 0.644 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039822 852529356 /nfs/dbraw/zinc/52/93/56/852529356.db2.gz WEYYSVUMPRPQJN-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244846 852564572 /nfs/dbraw/zinc/56/45/72/852564572.db2.gz YXKNOQWJLPKDJA-QJPTWQEYSA-N 2 1 355.401 0.191 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244846 852564575 /nfs/dbraw/zinc/56/45/75/852564575.db2.gz YXKNOQWJLPKDJA-QJPTWQEYSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244846 852564581 /nfs/dbraw/zinc/56/45/81/852564581.db2.gz YXKNOQWJLPKDJA-QJPTWQEYSA-N 2 1 355.401 0.191 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001194244846 852564584 /nfs/dbraw/zinc/56/45/84/852564584.db2.gz YXKNOQWJLPKDJA-QJPTWQEYSA-N 2 1 355.401 0.191 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O ZINC001194264755 852568884 /nfs/dbraw/zinc/56/88/84/852568884.db2.gz FTUSNDMNPAISDI-VXGBXAGGSA-N 2 1 355.401 0.457 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001194265710 852570638 /nfs/dbraw/zinc/57/06/38/852570638.db2.gz WGRVOIMTTMGQAH-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001194265710 852570643 /nfs/dbraw/zinc/57/06/43/852570643.db2.gz WGRVOIMTTMGQAH-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001194265710 852570644 /nfs/dbraw/zinc/57/06/44/852570644.db2.gz WGRVOIMTTMGQAH-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001194265710 852570649 /nfs/dbraw/zinc/57/06/49/852570649.db2.gz WGRVOIMTTMGQAH-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289673 852573111 /nfs/dbraw/zinc/57/31/11/852573111.db2.gz LBNNTDMNKHXBMP-USXIJHARSA-N 2 1 350.463 0.230 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001194320957 852578976 /nfs/dbraw/zinc/57/89/76/852578976.db2.gz AWSDLOVUNHGVJT-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001194320957 852578978 /nfs/dbraw/zinc/57/89/78/852578978.db2.gz AWSDLOVUNHGVJT-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001194320957 852578982 /nfs/dbraw/zinc/57/89/82/852578982.db2.gz AWSDLOVUNHGVJT-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001194320957 852578986 /nfs/dbraw/zinc/57/89/86/852578986.db2.gz AWSDLOVUNHGVJT-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982421 852685532 /nfs/dbraw/zinc/68/55/32/852685532.db2.gz IRUNZOIVIVFGDV-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982421 852685537 /nfs/dbraw/zinc/68/55/37/852685537.db2.gz IRUNZOIVIVFGDV-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)CCCC1 ZINC001195006022 852691167 /nfs/dbraw/zinc/69/11/67/852691167.db2.gz CRWDXLVYDINURT-GVDBMIGSSA-N 2 1 353.507 0.981 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195640290 852804282 /nfs/dbraw/zinc/80/42/82/852804282.db2.gz CPSIYIHTAOKBTJ-CHWSQXEVSA-N 2 1 367.412 0.459 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640848 852804329 /nfs/dbraw/zinc/80/43/29/852804329.db2.gz QWMOEPXTJHZKIP-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640848 852804335 /nfs/dbraw/zinc/80/43/35/852804335.db2.gz QWMOEPXTJHZKIP-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001195981039 852859632 /nfs/dbraw/zinc/85/96/32/852859632.db2.gz MBAMTXDDABSXKN-BRWVUGGUSA-N 2 1 351.495 0.193 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207855 852915535 /nfs/dbraw/zinc/91/55/35/852915535.db2.gz VMEJHFXIQGWXCX-YNEHKIRRSA-N 2 1 369.428 0.439 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207855 852915541 /nfs/dbraw/zinc/91/55/41/852915541.db2.gz VMEJHFXIQGWXCX-YNEHKIRRSA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207855 852915548 /nfs/dbraw/zinc/91/55/48/852915548.db2.gz VMEJHFXIQGWXCX-YNEHKIRRSA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196207855 852915554 /nfs/dbraw/zinc/91/55/54/852915554.db2.gz VMEJHFXIQGWXCX-YNEHKIRRSA-N 2 1 369.428 0.439 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196222158 852919662 /nfs/dbraw/zinc/91/96/62/852919662.db2.gz HSUJQEGCMZRXHL-CHWSQXEVSA-N 2 1 369.428 0.705 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001196636626 852990593 /nfs/dbraw/zinc/99/05/93/852990593.db2.gz DWVXPCQKPUXJAJ-BFHYXJOUSA-N 2 1 367.412 0.193 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001196636626 852990601 /nfs/dbraw/zinc/99/06/01/852990601.db2.gz DWVXPCQKPUXJAJ-BFHYXJOUSA-N 2 1 367.412 0.193 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC001196637352 852990847 /nfs/dbraw/zinc/99/08/47/852990847.db2.gz KNAUBAGCRFJYOG-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001197000319 853047346 /nfs/dbraw/zinc/04/73/46/853047346.db2.gz DHXZJYRHBVYRPK-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001197000319 853047353 /nfs/dbraw/zinc/04/73/53/853047353.db2.gz DHXZJYRHBVYRPK-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O ZINC001197000319 853047360 /nfs/dbraw/zinc/04/73/60/853047360.db2.gz DHXZJYRHBVYRPK-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001197000319 853047364 /nfs/dbraw/zinc/04/73/64/853047364.db2.gz DHXZJYRHBVYRPK-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cs1 ZINC001197320387 853098670 /nfs/dbraw/zinc/09/86/70/853098670.db2.gz YREREOUBLRJTMB-IAGOWNOFSA-N 2 1 367.515 0.829 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cs1 ZINC001197320387 853098678 /nfs/dbraw/zinc/09/86/78/853098678.db2.gz YREREOUBLRJTMB-IAGOWNOFSA-N 2 1 367.515 0.829 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1O ZINC001197826399 853168817 /nfs/dbraw/zinc/16/88/17/853168817.db2.gz VKSOLZIAJAWZPP-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001197956089 853191130 /nfs/dbraw/zinc/19/11/30/853191130.db2.gz UXGMFEZTLNYPSJ-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001197956089 853191132 /nfs/dbraw/zinc/19/11/32/853191132.db2.gz UXGMFEZTLNYPSJ-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029222 853206536 /nfs/dbraw/zinc/20/65/36/853206536.db2.gz QOHPPFFMYGEWDI-JHJVBQTASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029222 853206545 /nfs/dbraw/zinc/20/65/45/853206545.db2.gz QOHPPFFMYGEWDI-JHJVBQTASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029222 853206551 /nfs/dbraw/zinc/20/65/51/853206551.db2.gz QOHPPFFMYGEWDI-JHJVBQTASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001198029222 853206558 /nfs/dbraw/zinc/20/65/58/853206558.db2.gz QOHPPFFMYGEWDI-JHJVBQTASA-N 2 1 355.401 0.193 20 0 FCADMP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699367 853303252 /nfs/dbraw/zinc/30/32/52/853303252.db2.gz ORUQNNHSXZHVMC-AKBADGPISA-N 2 1 353.507 0.862 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001199023544 853356266 /nfs/dbraw/zinc/35/62/66/853356266.db2.gz MCMTXUVXXGCGTF-BFHYXJOUSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001199023544 853356281 /nfs/dbraw/zinc/35/62/81/853356281.db2.gz MCMTXUVXXGCGTF-BFHYXJOUSA-N 2 1 367.412 0.337 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023998 853356343 /nfs/dbraw/zinc/35/63/43/853356343.db2.gz XLEOXJMJDZZDBS-BZUAXINKSA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023998 853356354 /nfs/dbraw/zinc/35/63/54/853356354.db2.gz XLEOXJMJDZZDBS-BZUAXINKSA-N 2 1 354.495 0.068 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057444 853361401 /nfs/dbraw/zinc/36/14/01/853361401.db2.gz JVQASMIECAQLDV-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127522 853374894 /nfs/dbraw/zinc/37/48/94/853374894.db2.gz GBLPIMHBVRQKKM-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1O ZINC001199398273 853418865 /nfs/dbraw/zinc/41/88/65/853418865.db2.gz MDQNYMYLEARSRS-IAGOWNOFSA-N 2 1 350.463 0.641 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538336 853502530 /nfs/dbraw/zinc/50/25/30/853502530.db2.gz YZDWVULWTQHOLE-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC3(CS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001200637552 853506124 /nfs/dbraw/zinc/50/61/24/853506124.db2.gz XFIUOQYDBFXXHT-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001200644123 853507303 /nfs/dbraw/zinc/50/73/03/853507303.db2.gz JQBXIVJQFVGJPE-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCC3CCOCC3)CC[C@@H]2C1 ZINC001202637909 853571446 /nfs/dbraw/zinc/57/14/46/853571446.db2.gz PEDOHTBHPCZRLI-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCC3CCOCC3)CC[C@@H]2C1 ZINC001202637909 853571451 /nfs/dbraw/zinc/57/14/51/853571451.db2.gz PEDOHTBHPCZRLI-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)CC[C@@H]2C1 ZINC001202637909 853571457 /nfs/dbraw/zinc/57/14/57/853571457.db2.gz PEDOHTBHPCZRLI-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC1CC1 ZINC001205339878 853605018 /nfs/dbraw/zinc/60/50/18/853605018.db2.gz OCDICVZFXZVZFF-JJRVBVJISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979364 853775763 /nfs/dbraw/zinc/77/57/63/853775763.db2.gz SLCMOPLRAIXOOJ-FVQBIDKESA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979364 853775767 /nfs/dbraw/zinc/77/57/67/853775767.db2.gz SLCMOPLRAIXOOJ-FVQBIDKESA-N 2 1 350.507 0.679 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CC1 ZINC001207543434 853821884 /nfs/dbraw/zinc/82/18/84/853821884.db2.gz PBFROPDFRVBHOQ-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CC1 ZINC001207543434 853821889 /nfs/dbraw/zinc/82/18/89/853821889.db2.gz PBFROPDFRVBHOQ-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682900 853840723 /nfs/dbraw/zinc/84/07/23/853840723.db2.gz ZWJBJKJCNVZTEL-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682900 853840726 /nfs/dbraw/zinc/84/07/26/853840726.db2.gz ZWJBJKJCNVZTEL-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784480 853856739 /nfs/dbraw/zinc/85/67/39/853856739.db2.gz MLEPDWSFWYGCRM-NVXWUHKLSA-N 2 1 350.463 0.353 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790222 853858139 /nfs/dbraw/zinc/85/81/39/853858139.db2.gz OFAVBGMDWPBTEF-BMFZPTHFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790222 853858142 /nfs/dbraw/zinc/85/81/42/853858142.db2.gz OFAVBGMDWPBTEF-BMFZPTHFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207790222 853858148 /nfs/dbraw/zinc/85/81/48/853858148.db2.gz OFAVBGMDWPBTEF-BMFZPTHFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207790222 853858149 /nfs/dbraw/zinc/85/81/49/853858149.db2.gz OFAVBGMDWPBTEF-BMFZPTHFSA-N 2 1 350.507 0.964 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208008158 853881256 /nfs/dbraw/zinc/88/12/56/853881256.db2.gz ONHOCDURQCTIKZ-IJEWVQPXSA-N 2 1 350.463 0.206 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208008158 853881260 /nfs/dbraw/zinc/88/12/60/853881260.db2.gz ONHOCDURQCTIKZ-IJEWVQPXSA-N 2 1 350.463 0.206 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001208007938 853881465 /nfs/dbraw/zinc/88/14/65/853881465.db2.gz NIJDZBSQTKNYLH-HYVNUMGLSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001208007938 853881469 /nfs/dbraw/zinc/88/14/69/853881469.db2.gz NIJDZBSQTKNYLH-HYVNUMGLSA-N 2 1 352.479 0.662 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070369 853890501 /nfs/dbraw/zinc/89/05/01/853890501.db2.gz KJPKWHVSRHWHQB-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001208070102 853890855 /nfs/dbraw/zinc/89/08/55/853890855.db2.gz DCBYXJIXXHWYJP-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070888 853891836 /nfs/dbraw/zinc/89/18/36/853891836.db2.gz SZENCLWRQYLNCB-DJIMGWMZSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](CC1(C)CC[NH+](C)CC1)C[C@H]2C(=O)N(C)C ZINC001208116419 853897607 /nfs/dbraw/zinc/89/76/07/853897607.db2.gz UPPUYSYFZNQKLF-INIZCTEOSA-N 2 1 350.507 0.587 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412576 853930193 /nfs/dbraw/zinc/93/01/93/853930193.db2.gz CGOTUAPVAPSABU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412576 853930198 /nfs/dbraw/zinc/93/01/98/853930198.db2.gz CGOTUAPVAPSABU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412576 853930200 /nfs/dbraw/zinc/93/02/00/853930200.db2.gz CGOTUAPVAPSABU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412576 853930205 /nfs/dbraw/zinc/93/02/05/853930205.db2.gz CGOTUAPVAPSABU-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444458 853934181 /nfs/dbraw/zinc/93/41/81/853934181.db2.gz BWRUOCSOAOCXQZ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444458 853934186 /nfs/dbraw/zinc/93/41/86/853934186.db2.gz BWRUOCSOAOCXQZ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484934 853940950 /nfs/dbraw/zinc/94/09/50/853940950.db2.gz DHWNGLYHDVTIJU-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484934 853940953 /nfs/dbraw/zinc/94/09/53/853940953.db2.gz DHWNGLYHDVTIJU-BFYDXBDKSA-N 2 1 352.523 0.925 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738944 853971119 /nfs/dbraw/zinc/97/11/19/853971119.db2.gz MBNYTIGNSPQOLC-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738944 853971122 /nfs/dbraw/zinc/97/11/22/853971122.db2.gz MBNYTIGNSPQOLC-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)CCN1CC[NH+](C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001208966719 853985738 /nfs/dbraw/zinc/98/57/38/853985738.db2.gz FVKJACYIBNSGJM-INIZCTEOSA-N 2 1 356.511 0.802 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327148 854019908 /nfs/dbraw/zinc/01/99/08/854019908.db2.gz CYNOYOKGAFHRIM-NVXWUHKLSA-N 2 1 351.495 0.921 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001209626439 854042713 /nfs/dbraw/zinc/04/27/13/854042713.db2.gz RKWFCHIZCYTQDR-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001209626439 854042717 /nfs/dbraw/zinc/04/27/17/854042717.db2.gz RKWFCHIZCYTQDR-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836131 854056225 /nfs/dbraw/zinc/05/62/25/854056225.db2.gz GCIBLILURKJQFF-SOLBZPMBSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298265 854097515 /nfs/dbraw/zinc/09/75/15/854097515.db2.gz NGDLMTLFQUHOJJ-BZUAXINKSA-N 2 1 356.511 0.162 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298265 854097519 /nfs/dbraw/zinc/09/75/19/854097519.db2.gz NGDLMTLFQUHOJJ-BZUAXINKSA-N 2 1 356.511 0.162 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001210499074 854113935 /nfs/dbraw/zinc/11/39/35/854113935.db2.gz OUJSNZBOKIRCRB-HZPDHXFCSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001210499074 854113937 /nfs/dbraw/zinc/11/39/37/854113937.db2.gz OUJSNZBOKIRCRB-HZPDHXFCSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001210499074 854113939 /nfs/dbraw/zinc/11/39/39/854113939.db2.gz OUJSNZBOKIRCRB-HZPDHXFCSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528806 854116790 /nfs/dbraw/zinc/11/67/90/854116790.db2.gz IHNGBXPBFGXNII-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528806 854116794 /nfs/dbraw/zinc/11/67/94/854116794.db2.gz IHNGBXPBFGXNII-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001210528806 854116797 /nfs/dbraw/zinc/11/67/97/854116797.db2.gz IHNGBXPBFGXNII-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1C ZINC001211039238 854149140 /nfs/dbraw/zinc/14/91/40/854149140.db2.gz QHYGTJVWKARQCW-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1C ZINC001211039238 854149143 /nfs/dbraw/zinc/14/91/43/854149143.db2.gz QHYGTJVWKARQCW-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436862 854478205 /nfs/dbraw/zinc/47/82/05/854478205.db2.gz NNRZVYBOOSRNMT-ZACQAIPSSA-N 2 1 351.495 0.630 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436862 854478207 /nfs/dbraw/zinc/47/82/07/854478207.db2.gz NNRZVYBOOSRNMT-ZACQAIPSSA-N 2 1 351.495 0.630 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212460315 854488518 /nfs/dbraw/zinc/48/85/18/854488518.db2.gz GEHGRUAFPAJNCI-HZPDHXFCSA-N 2 1 357.495 0.197 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CC1 ZINC001213166530 854520244 /nfs/dbraw/zinc/52/02/44/854520244.db2.gz UFVMLIHCBAURGZ-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CC1 ZINC001213166530 854520247 /nfs/dbraw/zinc/52/02/47/854520247.db2.gz UFVMLIHCBAURGZ-IXDOHACOSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204374 854532113 /nfs/dbraw/zinc/53/21/13/854532113.db2.gz HCGBBNDJRKQRGC-HZPDHXFCSA-N 2 1 350.463 0.595 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342324 854582790 /nfs/dbraw/zinc/58/27/90/854582790.db2.gz RFXHNRXHHYSBJP-BZUAXINKSA-N 2 1 353.507 0.959 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213348415 854584936 /nfs/dbraw/zinc/58/49/36/854584936.db2.gz LTZVEPDSNTWMTG-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC)[NH+](CC)CC ZINC001213435025 854614372 /nfs/dbraw/zinc/61/43/72/854614372.db2.gz QCWMHJBYAOMSBW-BRWVUGGUSA-N 2 1 359.511 0.585 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455490 854624477 /nfs/dbraw/zinc/62/44/77/854624477.db2.gz DNQUOFDZRZKNRB-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704664 854727062 /nfs/dbraw/zinc/72/70/62/854727062.db2.gz MUCMRMSUDFVHTQ-QZTJIDSGSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764856 854756798 /nfs/dbraw/zinc/75/67/98/854756798.db2.gz GVWMOFDJIQWJQW-MGPQQGTHSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764856 854756803 /nfs/dbraw/zinc/75/68/03/854756803.db2.gz GVWMOFDJIQWJQW-MGPQQGTHSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764856 854756807 /nfs/dbraw/zinc/75/68/07/854756807.db2.gz GVWMOFDJIQWJQW-MGPQQGTHSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213764856 854756814 /nfs/dbraw/zinc/75/68/14/854756814.db2.gz GVWMOFDJIQWJQW-MGPQQGTHSA-N 2 1 369.428 0.847 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213769393 854760668 /nfs/dbraw/zinc/76/06/68/854760668.db2.gz SULLRWZGUUYUMQ-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213769393 854760673 /nfs/dbraw/zinc/76/06/73/854760673.db2.gz SULLRWZGUUYUMQ-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001213769393 854760678 /nfs/dbraw/zinc/76/06/78/854760678.db2.gz SULLRWZGUUYUMQ-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214335872 854927560 /nfs/dbraw/zinc/92/75/60/854927560.db2.gz LLEHOABCUURYNM-KFWWJZLASA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214343932 854928499 /nfs/dbraw/zinc/92/84/99/854928499.db2.gz KACCWNZSGNGUOH-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCOCC(F)(F)F ZINC001214388814 854937993 /nfs/dbraw/zinc/93/79/93/854937993.db2.gz KPMFYRUZHAHSFE-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCOCC(F)(F)F ZINC001214388814 854937997 /nfs/dbraw/zinc/93/79/97/854937997.db2.gz KPMFYRUZHAHSFE-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214611170 854977329 /nfs/dbraw/zinc/97/73/29/854977329.db2.gz RTPCYPXBBFEIRG-OAGGEKHMSA-N 2 1 359.536 0.730 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C)C1CC1 ZINC001214664263 854989376 /nfs/dbraw/zinc/98/93/76/854989376.db2.gz TWWJQAWLCPFIRV-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845490 855022285 /nfs/dbraw/zinc/02/22/85/855022285.db2.gz WKKDROJAASEZON-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214855543 855023624 /nfs/dbraw/zinc/02/36/24/855023624.db2.gz FZRRPIUKIXDFBO-MCIONIFRSA-N 2 1 354.476 0.242 20 0 FCADMP C[C@H](C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214863852 855025494 /nfs/dbraw/zinc/02/54/94/855025494.db2.gz ZEXDRKNKWUJELX-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001215155715 855074579 /nfs/dbraw/zinc/07/45/79/855074579.db2.gz GNGMYIDSSFAKSY-UKRRQHHQSA-N 2 1 350.467 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215397401 855109894 /nfs/dbraw/zinc/10/98/94/855109894.db2.gz YRXVYXLITRVGNJ-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423582 855112874 /nfs/dbraw/zinc/11/28/74/855112874.db2.gz PSZQVJXPRLRSNE-HUUCEWRRSA-N 2 1 351.499 0.752 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001216217092 855180869 /nfs/dbraw/zinc/18/08/69/855180869.db2.gz HFVHDVMTOZHSBJ-ZIAGYGMSSA-N 2 1 351.499 0.706 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001216217092 855180876 /nfs/dbraw/zinc/18/08/76/855180876.db2.gz HFVHDVMTOZHSBJ-ZIAGYGMSSA-N 2 1 351.499 0.706 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216506473 855209824 /nfs/dbraw/zinc/20/98/24/855209824.db2.gz JMQGVYPIMQSPHO-BRWVUGGUSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216511727 855210063 /nfs/dbraw/zinc/21/00/63/855210063.db2.gz YCZHOIKDCYRXRD-UKRRQHHQSA-N 2 1 354.520 0.997 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216754233 855232849 /nfs/dbraw/zinc/23/28/49/855232849.db2.gz LOAMFBAPTBRZKP-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216754458 855232996 /nfs/dbraw/zinc/23/29/96/855232996.db2.gz VPIMUOJGLYLLLQ-IJLUTSLNSA-N 2 1 350.385 0.053 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CCC3)C2)C1 ZINC001216800704 855247114 /nfs/dbraw/zinc/24/71/14/855247114.db2.gz CYHVGESOYPTROH-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC3CCC3)C2)C1 ZINC001216800704 855247118 /nfs/dbraw/zinc/24/71/18/855247118.db2.gz CYHVGESOYPTROH-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216852054 855259782 /nfs/dbraw/zinc/25/97/82/855259782.db2.gz MZZQOALDMPIYTM-HUUCEWRRSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363003 855418198 /nfs/dbraw/zinc/41/81/98/855418198.db2.gz FYWBYYSNOQPJTI-BPQIPLTHSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363003 855418200 /nfs/dbraw/zinc/41/82/00/855418200.db2.gz FYWBYYSNOQPJTI-BPQIPLTHSA-N 2 1 353.507 0.933 20 0 FCADMP C[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363003 855418204 /nfs/dbraw/zinc/41/82/04/855418204.db2.gz FYWBYYSNOQPJTI-BPQIPLTHSA-N 2 1 353.507 0.933 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789154 855479666 /nfs/dbraw/zinc/47/96/66/855479666.db2.gz BABOHBLHVFNSCT-DLBZAZTESA-N 2 1 350.463 0.920 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789154 855479669 /nfs/dbraw/zinc/47/96/69/855479669.db2.gz BABOHBLHVFNSCT-DLBZAZTESA-N 2 1 350.463 0.920 20 0 FCADMP CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+]CCC[NH3+])c1 ZINC001218884445 855491242 /nfs/dbraw/zinc/49/12/42/855491242.db2.gz IZGSYXRVYQDGLW-UHFFFAOYSA-N 2 1 372.491 0.603 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965800 855504057 /nfs/dbraw/zinc/50/40/57/855504057.db2.gz UIJWOKVCTHCTDS-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965800 855504066 /nfs/dbraw/zinc/50/40/66/855504066.db2.gz UIJWOKVCTHCTDS-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965800 855504073 /nfs/dbraw/zinc/50/40/73/855504073.db2.gz UIJWOKVCTHCTDS-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965800 855504080 /nfs/dbraw/zinc/50/40/80/855504080.db2.gz UIJWOKVCTHCTDS-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635213 855747692 /nfs/dbraw/zinc/74/76/92/855747692.db2.gz WNXMQGXNTPOCKJ-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635213 855747695 /nfs/dbraw/zinc/74/76/95/855747695.db2.gz WNXMQGXNTPOCKJ-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219635213 855747700 /nfs/dbraw/zinc/74/77/00/855747700.db2.gz WNXMQGXNTPOCKJ-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1O ZINC001219665673 855760813 /nfs/dbraw/zinc/76/08/13/855760813.db2.gz SPBFAMOAECVVEB-XHSDSOJGSA-N 2 1 352.479 0.985 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1O ZINC001219665673 855760823 /nfs/dbraw/zinc/76/08/23/855760823.db2.gz SPBFAMOAECVVEB-XHSDSOJGSA-N 2 1 352.479 0.985 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796809 855817687 /nfs/dbraw/zinc/81/76/87/855817687.db2.gz RBRSMRULEDBOJV-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796809 855817689 /nfs/dbraw/zinc/81/76/89/855817689.db2.gz RBRSMRULEDBOJV-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796809 855817691 /nfs/dbraw/zinc/81/76/91/855817691.db2.gz RBRSMRULEDBOJV-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001219799924 855819815 /nfs/dbraw/zinc/81/98/15/855819815.db2.gz COOYILMRLBADNT-PMPSAXMXSA-N 2 1 351.495 0.411 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O ZINC001219799924 855819818 /nfs/dbraw/zinc/81/98/18/855819818.db2.gz COOYILMRLBADNT-PMPSAXMXSA-N 2 1 351.495 0.411 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804527 855823609 /nfs/dbraw/zinc/82/36/09/855823609.db2.gz YXHVZWZFKVNBDW-YCPHGPKFSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804527 855823618 /nfs/dbraw/zinc/82/36/18/855823618.db2.gz YXHVZWZFKVNBDW-YCPHGPKFSA-N 2 1 352.504 0.496 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219829743 855835197 /nfs/dbraw/zinc/83/51/97/855835197.db2.gz CMAVHFHBIQCWQS-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219829743 855835201 /nfs/dbraw/zinc/83/52/01/855835201.db2.gz CMAVHFHBIQCWQS-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219829743 855835204 /nfs/dbraw/zinc/83/52/04/855835204.db2.gz CMAVHFHBIQCWQS-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001219869935 855854422 /nfs/dbraw/zinc/85/44/22/855854422.db2.gz VTHIOYVBIOBUEQ-ZACQAIPSSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)[NH+](C)C ZINC001219869935 855854425 /nfs/dbraw/zinc/85/44/25/855854425.db2.gz VTHIOYVBIOBUEQ-ZACQAIPSSA-N 2 1 353.438 0.706 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@@H]1O ZINC001219902691 855872211 /nfs/dbraw/zinc/87/22/11/855872211.db2.gz HGDDPVRNLVLLJS-KGLIPLIRSA-N 2 1 354.520 0.886 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@@H]1O ZINC001219902691 855872213 /nfs/dbraw/zinc/87/22/13/855872213.db2.gz HGDDPVRNLVLLJS-KGLIPLIRSA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@@H]1O ZINC001219902691 855872217 /nfs/dbraw/zinc/87/22/17/855872217.db2.gz HGDDPVRNLVLLJS-KGLIPLIRSA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@@H]1O ZINC001219902691 855872219 /nfs/dbraw/zinc/87/22/19/855872219.db2.gz HGDDPVRNLVLLJS-KGLIPLIRSA-N 2 1 354.520 0.886 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219943875 855890961 /nfs/dbraw/zinc/89/09/61/855890961.db2.gz CJZKIUMNADDLIW-SJORKVTESA-N 2 1 351.491 0.593 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219943875 855890967 /nfs/dbraw/zinc/89/09/67/855890967.db2.gz CJZKIUMNADDLIW-SJORKVTESA-N 2 1 351.491 0.593 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001220119195 855969489 /nfs/dbraw/zinc/96/94/89/855969489.db2.gz FBMKYPRSSCYWGU-IKGGRYGDSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220234101 856024528 /nfs/dbraw/zinc/02/45/28/856024528.db2.gz UMBNUCGGPZALHN-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220234101 856024537 /nfs/dbraw/zinc/02/45/37/856024537.db2.gz UMBNUCGGPZALHN-IKGGRYGDSA-N 2 1 353.438 0.362 20 0 FCADMP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220315701 856061187 /nfs/dbraw/zinc/06/11/87/856061187.db2.gz HFKNJKZMRPNDBW-JTDSTZFVSA-N 3 1 350.507 0.478 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387574 856100974 /nfs/dbraw/zinc/10/09/74/856100974.db2.gz LWMNAHNELZXUEL-JQHSSLGASA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1)OC ZINC001220482399 856148882 /nfs/dbraw/zinc/14/88/82/856148882.db2.gz QGEZIALPSPJWMW-OAGGEKHMSA-N 2 1 352.479 0.983 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1)OC ZINC001220482399 856148884 /nfs/dbraw/zinc/14/88/84/856148884.db2.gz QGEZIALPSPJWMW-OAGGEKHMSA-N 2 1 352.479 0.983 20 0 FCADMP COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220585429 856195374 /nfs/dbraw/zinc/19/53/74/856195374.db2.gz KXVLEGALHILFID-GJZGRUSLSA-N 2 1 351.447 0.740 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220688895 856241334 /nfs/dbraw/zinc/24/13/34/856241334.db2.gz UUMNRTAPRXEOKE-SJORKVTESA-N 2 1 351.495 0.776 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817182 856319125 /nfs/dbraw/zinc/31/91/25/856319125.db2.gz NYRPYZWOOBXEPK-XHSDSOJGSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817182 856319127 /nfs/dbraw/zinc/31/91/27/856319127.db2.gz NYRPYZWOOBXEPK-XHSDSOJGSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817182 856319130 /nfs/dbraw/zinc/31/91/30/856319130.db2.gz NYRPYZWOOBXEPK-XHSDSOJGSA-N 2 1 356.511 0.137 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)C[C@@H]1O ZINC001220817182 856319132 /nfs/dbraw/zinc/31/91/32/856319132.db2.gz NYRPYZWOOBXEPK-XHSDSOJGSA-N 2 1 356.511 0.137 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001220849847 856336969 /nfs/dbraw/zinc/33/69/69/856336969.db2.gz SBEWURGSPACPJT-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001220849847 856336980 /nfs/dbraw/zinc/33/69/80/856336980.db2.gz SBEWURGSPACPJT-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001220849847 856336988 /nfs/dbraw/zinc/33/69/88/856336988.db2.gz SBEWURGSPACPJT-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1C(F)(F)F)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872546 856351820 /nfs/dbraw/zinc/35/18/20/856351820.db2.gz YFAZMNDOJGHNPK-ZDUSSCGKSA-N 2 1 358.364 0.123 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]([NH3+])CCC[NH3+])CC2)c1 ZINC001220911707 856370139 /nfs/dbraw/zinc/37/01/39/856370139.db2.gz UEHUZMCQVBDLHP-QGZVFWFLSA-N 3 1 352.454 0.981 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091302 856458262 /nfs/dbraw/zinc/45/82/62/856458262.db2.gz JQJVDIMVTWNAGY-IKGGRYGDSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091302 856458266 /nfs/dbraw/zinc/45/82/66/856458266.db2.gz JQJVDIMVTWNAGY-IKGGRYGDSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091302 856458270 /nfs/dbraw/zinc/45/82/70/856458270.db2.gz JQJVDIMVTWNAGY-IKGGRYGDSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001221091302 856458277 /nfs/dbraw/zinc/45/82/77/856458277.db2.gz JQJVDIMVTWNAGY-IKGGRYGDSA-N 2 1 353.438 0.361 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)[C@H]2C1 ZINC001279269100 862804340 /nfs/dbraw/zinc/80/43/40/862804340.db2.gz JXQXRUBAXOFZFA-QAETUUGQSA-N 2 1 351.491 0.775 20 0 FCADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C1 ZINC001221244026 856527354 /nfs/dbraw/zinc/52/73/54/856527354.db2.gz OZFHBBGLFYPHDS-SMDDNHRTSA-N 2 1 352.401 0.763 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787178 856682712 /nfs/dbraw/zinc/68/27/12/856682712.db2.gz MGWUPUFORDFBGB-BRWVUGGUSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787178 856682714 /nfs/dbraw/zinc/68/27/14/856682714.db2.gz MGWUPUFORDFBGB-BRWVUGGUSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001221848467 856707848 /nfs/dbraw/zinc/70/78/48/856707848.db2.gz PTVJIPJFFUIIAQ-KZNAEPCWSA-N 2 1 353.507 0.793 20 0 FCADMP CC(C)COCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872348 856718365 /nfs/dbraw/zinc/71/83/65/856718365.db2.gz YKDDALKKEJAARV-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)COCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872348 856718367 /nfs/dbraw/zinc/71/83/67/856718367.db2.gz YKDDALKKEJAARV-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221883422 856721159 /nfs/dbraw/zinc/72/11/59/856721159.db2.gz DNNKCLLNOLVTPT-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001221883422 856721167 /nfs/dbraw/zinc/72/11/67/856721167.db2.gz DNNKCLLNOLVTPT-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013814 856768749 /nfs/dbraw/zinc/76/87/49/856768749.db2.gz LPVHADVBJMKKKF-OWCLPIDISA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013814 856768752 /nfs/dbraw/zinc/76/87/52/856768752.db2.gz LPVHADVBJMKKKF-OWCLPIDISA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013814 856768756 /nfs/dbraw/zinc/76/87/56/856768756.db2.gz LPVHADVBJMKKKF-OWCLPIDISA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013814 856768760 /nfs/dbraw/zinc/76/87/60/856768760.db2.gz LPVHADVBJMKKKF-OWCLPIDISA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018260 856769898 /nfs/dbraw/zinc/76/98/98/856769898.db2.gz USQRYDLVYVDUMR-KZNAEPCWSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026879 856776252 /nfs/dbraw/zinc/77/62/52/856776252.db2.gz CMDRGVFMVASGAH-KZNAEPCWSA-N 2 1 353.507 0.793 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089397 856798535 /nfs/dbraw/zinc/79/85/35/856798535.db2.gz IZAZNZAQEKDSEO-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089397 856798543 /nfs/dbraw/zinc/79/85/43/856798543.db2.gz IZAZNZAQEKDSEO-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089162 856798806 /nfs/dbraw/zinc/79/88/06/856798806.db2.gz BBZCRWGMFMTTAZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089162 856798808 /nfs/dbraw/zinc/79/88/08/856798808.db2.gz BBZCRWGMFMTTAZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CCN(c2ncc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)s2)CC1 ZINC001222091070 856799064 /nfs/dbraw/zinc/79/90/64/856799064.db2.gz OGZUMFPYDQKRKG-UHFFFAOYSA-N 2 1 350.536 0.422 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489410 856846881 /nfs/dbraw/zinc/84/68/81/856846881.db2.gz UMYDKTFWVKCXKQ-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489410 856846894 /nfs/dbraw/zinc/84/68/94/856846894.db2.gz UMYDKTFWVKCXKQ-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489410 856846901 /nfs/dbraw/zinc/84/69/01/856846901.db2.gz UMYDKTFWVKCXKQ-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCC4CC4)[C@H]3C2)C1 ZINC001222489410 856846913 /nfs/dbraw/zinc/84/69/13/856846913.db2.gz UMYDKTFWVKCXKQ-SQNIBIBYSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222656777 856861431 /nfs/dbraw/zinc/86/14/31/856861431.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222656777 856861446 /nfs/dbraw/zinc/86/14/46/856861446.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222656777 856861463 /nfs/dbraw/zinc/86/14/63/856861463.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)CC[N@@H+]1C ZINC001222707764 856867466 /nfs/dbraw/zinc/86/74/66/856867466.db2.gz JQGYMXCXPHVHKU-VQHPVUNQSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)CC[N@H+]1C ZINC001222707764 856867478 /nfs/dbraw/zinc/86/74/78/856867478.db2.gz JQGYMXCXPHVHKU-VQHPVUNQSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001222707764 856867486 /nfs/dbraw/zinc/86/74/86/856867486.db2.gz JQGYMXCXPHVHKU-VQHPVUNQSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)CC[NH+]1C ZINC001222707764 856867493 /nfs/dbraw/zinc/86/74/93/856867493.db2.gz JQGYMXCXPHVHKU-VQHPVUNQSA-N 2 1 371.547 0.684 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891546 856880397 /nfs/dbraw/zinc/88/03/97/856880397.db2.gz DUHFPKWBUKVTDE-HFTRVMKXSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@H]2C1 ZINC001223430501 856915540 /nfs/dbraw/zinc/91/55/40/856915540.db2.gz LWLKGGHDKWKAHS-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)C[C@@H]3C2)CC[N@H+]1C ZINC001279363468 862850339 /nfs/dbraw/zinc/85/03/39/862850339.db2.gz SUUQRNQQEUSKTD-LVQVYYBASA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@H]3C2)CC[NH+]1C ZINC001279363468 862850350 /nfs/dbraw/zinc/85/03/50/862850350.db2.gz SUUQRNQQEUSKTD-LVQVYYBASA-N 2 1 357.520 0.152 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505603 856921835 /nfs/dbraw/zinc/92/18/35/856921835.db2.gz KCTXWBUCKXOLDS-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505603 856921838 /nfs/dbraw/zinc/92/18/38/856921838.db2.gz KCTXWBUCKXOLDS-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505603 856921843 /nfs/dbraw/zinc/92/18/43/856921843.db2.gz KCTXWBUCKXOLDS-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505603 856921850 /nfs/dbraw/zinc/92/18/50/856921850.db2.gz KCTXWBUCKXOLDS-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223962161 856953818 /nfs/dbraw/zinc/95/38/18/856953818.db2.gz JAZRGNZTKSKRQL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223962161 856953828 /nfs/dbraw/zinc/95/38/28/856953828.db2.gz JAZRGNZTKSKRQL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223962161 856953835 /nfs/dbraw/zinc/95/38/35/856953835.db2.gz JAZRGNZTKSKRQL-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129126 856962008 /nfs/dbraw/zinc/96/20/08/856962008.db2.gz DZAZJTSRHKCPOJ-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224129126 856962018 /nfs/dbraw/zinc/96/20/18/856962018.db2.gz DZAZJTSRHKCPOJ-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224129126 856962030 /nfs/dbraw/zinc/96/20/30/856962030.db2.gz DZAZJTSRHKCPOJ-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224129126 856962039 /nfs/dbraw/zinc/96/20/39/856962039.db2.gz DZAZJTSRHKCPOJ-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224139860 856962148 /nfs/dbraw/zinc/96/21/48/856962148.db2.gz DVQSSVYQCALBFZ-KSZLIROESA-N 2 1 353.507 0.914 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001225347046 857036355 /nfs/dbraw/zinc/03/63/55/857036355.db2.gz VIKJHSMJXGNWNJ-UPJWGTAASA-N 2 1 366.491 0.588 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227057639 857139475 /nfs/dbraw/zinc/13/94/75/857139475.db2.gz XZDNAZLVXMYJAK-RBSFLKMASA-N 2 1 351.499 0.940 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443872 857160376 /nfs/dbraw/zinc/16/03/76/857160376.db2.gz LPRSIFIUTWEGNA-GDBMZVCRSA-N 2 1 359.536 0.732 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443872 857160382 /nfs/dbraw/zinc/16/03/82/857160382.db2.gz LPRSIFIUTWEGNA-GDBMZVCRSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228593964 857217661 /nfs/dbraw/zinc/21/76/61/857217661.db2.gz HWXFRMFNWXZCGL-RBSFLKMASA-N 2 1 360.524 0.037 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001228603712 857218264 /nfs/dbraw/zinc/21/82/64/857218264.db2.gz SEQQYRBIGPGIDW-USXIJHARSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001228603128 857218447 /nfs/dbraw/zinc/21/84/47/857218447.db2.gz NQACFKFEQZUUJW-USXIJHARSA-N 2 1 350.507 0.871 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229523162 857273218 /nfs/dbraw/zinc/27/32/18/857273218.db2.gz CTSYIGSQMWEDNS-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229523162 857273222 /nfs/dbraw/zinc/27/32/22/857273222.db2.gz CTSYIGSQMWEDNS-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229877359 857291124 /nfs/dbraw/zinc/29/11/24/857291124.db2.gz RFEDPQNDPKIDAF-BFHYXJOUSA-N 2 1 355.483 0.189 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138136 857306584 /nfs/dbraw/zinc/30/65/84/857306584.db2.gz HGPFBBLDBYWQNU-ARFHVFGLSA-N 2 1 353.511 0.663 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215227 857315145 /nfs/dbraw/zinc/31/51/45/857315145.db2.gz JWIAKGUMNZWAGI-OAGGEKHMSA-N 2 1 354.495 0.250 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215227 857315150 /nfs/dbraw/zinc/31/51/50/857315150.db2.gz JWIAKGUMNZWAGI-OAGGEKHMSA-N 2 1 354.495 0.250 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCOC)C1 ZINC001230215123 857315170 /nfs/dbraw/zinc/31/51/70/857315170.db2.gz GOILYURLQJMWIG-ZACQAIPSSA-N 2 1 357.495 0.387 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCOC)C1 ZINC001230215123 857315175 /nfs/dbraw/zinc/31/51/75/857315175.db2.gz GOILYURLQJMWIG-ZACQAIPSSA-N 2 1 357.495 0.387 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)O1 ZINC001235519118 857426479 /nfs/dbraw/zinc/42/64/79/857426479.db2.gz VVEOPASPGSRDLF-NCOADZHNSA-N 2 1 351.491 0.918 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)O1 ZINC001235519118 857426487 /nfs/dbraw/zinc/42/64/87/857426487.db2.gz VVEOPASPGSRDLF-NCOADZHNSA-N 2 1 351.491 0.918 20 0 FCADMP [NH3+]CCCC[N@H+]1CCOC[C@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC001235511500 857426663 /nfs/dbraw/zinc/42/66/63/857426663.db2.gz SGRWNWZLZLEISU-GOSISDBHSA-N 2 1 351.422 0.999 20 0 FCADMP N[C@@H]1NC(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385761 857440885 /nfs/dbraw/zinc/44/08/85/857440885.db2.gz FZGFSKRVWRAMEY-QGZVFWFLSA-N 2 1 355.552 0.430 20 0 FCADMP CN(C)S(=O)(=O)N1CCC2(C1)CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001279501547 862918771 /nfs/dbraw/zinc/91/87/71/862918771.db2.gz IGSLRCAVFGVULQ-INIZCTEOSA-N 2 1 358.552 0.923 20 0 FCADMP O[C@@]1(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246053738 857567398 /nfs/dbraw/zinc/56/73/98/857567398.db2.gz TVWQDMGUJGWKEP-IBGZPJMESA-N 3 1 354.539 0.125 20 0 FCADMP O[C@@]1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCCNC1 ZINC001246053738 857567404 /nfs/dbraw/zinc/56/74/04/857567404.db2.gz TVWQDMGUJGWKEP-IBGZPJMESA-N 2 1 354.539 0.125 20 0 FCADMP O[C@@]1(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CCCNC1 ZINC001246053738 857567409 /nfs/dbraw/zinc/56/74/09/857567409.db2.gz TVWQDMGUJGWKEP-IBGZPJMESA-N 2 1 354.539 0.125 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246159695 857570250 /nfs/dbraw/zinc/57/02/50/857570250.db2.gz ZFTDUEQCDPKRLQ-IMBNWFMCSA-N 2 1 351.491 0.807 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3C[NH2+]CCN3)CC2)cc1 ZINC001246491616 857581046 /nfs/dbraw/zinc/58/10/46/857581046.db2.gz USXDXPKCZURWFI-MRXNPFEDSA-N 2 1 352.504 0.299 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604001 857585738 /nfs/dbraw/zinc/58/57/38/857585738.db2.gz PYLLODOUQMOZOO-ILXRZTDVSA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606391 857586069 /nfs/dbraw/zinc/58/60/69/857586069.db2.gz FGFQNROINHWLMI-QLFBSQMISA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606391 857586077 /nfs/dbraw/zinc/58/60/77/857586077.db2.gz FGFQNROINHWLMI-QLFBSQMISA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604003 857586397 /nfs/dbraw/zinc/58/63/97/857586397.db2.gz PYLLODOUQMOZOO-KKUMJFAQSA-N 2 1 353.463 0.287 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001253186041 857870505 /nfs/dbraw/zinc/87/05/05/857870505.db2.gz KPTWKUFMWQYGGV-AOIWGVFYSA-N 2 1 353.507 0.554 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001253186041 857870509 /nfs/dbraw/zinc/87/05/09/857870509.db2.gz KPTWKUFMWQYGGV-AOIWGVFYSA-N 2 1 353.507 0.554 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cnsc4)CC3)[C@H]2C1 ZINC001279564074 862960031 /nfs/dbraw/zinc/96/00/31/862960031.db2.gz IJRVYCZSHIVKSD-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cnsc4)CC3)[C@H]2C1 ZINC001279564074 862960038 /nfs/dbraw/zinc/96/00/38/862960038.db2.gz IJRVYCZSHIVKSD-HOTGVXAUSA-N 2 1 363.531 0.717 20 0 FCADMP CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389378 857884981 /nfs/dbraw/zinc/88/49/81/857884981.db2.gz ZYANUAAKIXWEOP-RKVPGOIHSA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389378 857884994 /nfs/dbraw/zinc/88/49/94/857884994.db2.gz ZYANUAAKIXWEOP-RKVPGOIHSA-N 2 1 357.495 0.122 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253389743 857885309 /nfs/dbraw/zinc/88/53/09/857885309.db2.gz CGZIZTGFCQCHRP-FPCVCCKLSA-N 2 1 355.479 0.094 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001253391326 857885375 /nfs/dbraw/zinc/88/53/75/857885375.db2.gz ZNSZZISKKNKYIQ-MRXNPFEDSA-N 2 1 353.507 0.839 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517169 857975588 /nfs/dbraw/zinc/97/55/88/857975588.db2.gz FFRMSFIMBTYEII-PKOBYXMFSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517169 857975593 /nfs/dbraw/zinc/97/55/93/857975593.db2.gz FFRMSFIMBTYEII-PKOBYXMFSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517169 857975595 /nfs/dbraw/zinc/97/55/95/857975595.db2.gz FFRMSFIMBTYEII-PKOBYXMFSA-N 2 1 352.523 0.631 20 0 FCADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969349 858042862 /nfs/dbraw/zinc/04/28/62/858042862.db2.gz YOHYCJMNHHYZSX-RDJZCZTQSA-N 2 1 352.523 0.975 20 0 FCADMP CCOC(=O)N1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001256039484 858049596 /nfs/dbraw/zinc/04/95/96/858049596.db2.gz JQUWYYMKEOCRNG-MRXNPFEDSA-N 2 1 352.479 0.703 20 0 FCADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)C1CCS(=O)(=O)CC1 ZINC001256384457 858075089 /nfs/dbraw/zinc/07/50/89/858075089.db2.gz NQUNEOLQALLMKL-OAHLLOKOSA-N 2 1 368.503 0.715 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CC3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC001279617290 862984169 /nfs/dbraw/zinc/98/41/69/862984169.db2.gz YJMPVDUMIWNZBC-DLBZAZTESA-N 2 1 358.552 0.226 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[C@H]1C(=O)OC ZINC001257724174 858157099 /nfs/dbraw/zinc/15/70/99/858157099.db2.gz MQAFSAXWLWIEAK-ARFHVFGLSA-N 2 1 355.479 0.344 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC001262064423 858769774 /nfs/dbraw/zinc/76/97/74/858769774.db2.gz ZVTFSSPTFMOQMF-FPCVCCKLSA-N 2 1 354.495 0.093 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264100891 859311739 /nfs/dbraw/zinc/31/17/39/859311739.db2.gz KXHXPTXEDXNOAH-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655899 859416716 /nfs/dbraw/zinc/41/67/16/859416716.db2.gz RVMGMFWVTXFHQP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655899 859416719 /nfs/dbraw/zinc/41/67/19/859416719.db2.gz RVMGMFWVTXFHQP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001264655899 859416723 /nfs/dbraw/zinc/41/67/23/859416723.db2.gz RVMGMFWVTXFHQP-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266390940 859480551 /nfs/dbraw/zinc/48/05/51/859480551.db2.gz STCJZAJBPYQAMZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266390940 859480557 /nfs/dbraw/zinc/48/05/57/859480557.db2.gz STCJZAJBPYQAMZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266390940 859480566 /nfs/dbraw/zinc/48/05/66/859480566.db2.gz STCJZAJBPYQAMZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266390940 859480576 /nfs/dbraw/zinc/48/05/76/859480576.db2.gz STCJZAJBPYQAMZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCOC[N@@H+]1CCCC2(CCN(C(=O)CN(C)C(N)=[NH2+])CC2)C1 ZINC001269991908 859624343 /nfs/dbraw/zinc/62/43/43/859624343.db2.gz COFKJSUWKBATAH-UHFFFAOYSA-N 2 1 355.483 0.137 20 0 FCADMP COCCOC[N@H+]1CCCC2(CCN(C(=O)CN(C)C(N)=[NH2+])CC2)C1 ZINC001269991908 859624348 /nfs/dbraw/zinc/62/43/48/859624348.db2.gz COFKJSUWKBATAH-UHFFFAOYSA-N 2 1 355.483 0.137 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489662 859769733 /nfs/dbraw/zinc/76/97/33/859769733.db2.gz IDHCUFDNLBAODA-QFBILLFUSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657839 859987715 /nfs/dbraw/zinc/98/77/15/859987715.db2.gz DXRVQXGHVFGPNR-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)C1 ZINC001272821949 860272575 /nfs/dbraw/zinc/27/25/75/860272575.db2.gz UKKGVNULMRDFNF-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001272867616 860286749 /nfs/dbraw/zinc/28/67/49/860286749.db2.gz JPQFISBCCQCQOJ-UHFFFAOYSA-N 2 1 363.531 0.733 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001272867616 860286754 /nfs/dbraw/zinc/28/67/54/860286754.db2.gz JPQFISBCCQCQOJ-UHFFFAOYSA-N 2 1 363.531 0.733 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@H]3CC[N@@H+](C)C3)(C1)C2 ZINC001273452915 860494030 /nfs/dbraw/zinc/49/40/30/860494030.db2.gz FJVHKYURFYUAEZ-MNNVXMFVSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](C)C1)C2 ZINC001273834944 860613336 /nfs/dbraw/zinc/61/33/36/860613336.db2.gz JHEZSBDNBAWQDW-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273834944 860613338 /nfs/dbraw/zinc/61/33/38/860613338.db2.gz JHEZSBDNBAWQDW-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273834944 860613340 /nfs/dbraw/zinc/61/33/40/860613340.db2.gz JHEZSBDNBAWQDW-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001274397811 860742166 /nfs/dbraw/zinc/74/21/66/860742166.db2.gz TUVXDQDAPOSFGG-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)C1 ZINC001274397811 860742171 /nfs/dbraw/zinc/74/21/71/860742171.db2.gz TUVXDQDAPOSFGG-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274400595 860743029 /nfs/dbraw/zinc/74/30/29/860743029.db2.gz UZGGYTOEVJBEKG-HKUYNNGSSA-N 2 1 352.523 0.724 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274400595 860743034 /nfs/dbraw/zinc/74/30/34/860743034.db2.gz UZGGYTOEVJBEKG-HKUYNNGSSA-N 2 1 352.523 0.724 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC001274459311 860756888 /nfs/dbraw/zinc/75/68/88/860756888.db2.gz PTOXMNMWUANSNH-OAHLLOKOSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC001274459311 860756894 /nfs/dbraw/zinc/75/68/94/860756894.db2.gz PTOXMNMWUANSNH-OAHLLOKOSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275555432 861126084 /nfs/dbraw/zinc/12/60/84/861126084.db2.gz BFXSUKICHYVTIY-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556882 861127869 /nfs/dbraw/zinc/12/78/69/861127869.db2.gz PRXOGOYOXHTVCM-IBGZPJMESA-N 2 1 350.507 0.777 20 0 FCADMP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736123 861178823 /nfs/dbraw/zinc/17/88/23/861178823.db2.gz BHELYHMTQNLNQO-RDTXWAMCSA-N 2 1 353.463 0.241 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001275737670 861180668 /nfs/dbraw/zinc/18/06/68/861180668.db2.gz NEQZCYFRBWYFBY-KRWDZBQOSA-N 2 1 357.520 0.488 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737653 861180772 /nfs/dbraw/zinc/18/07/72/861180772.db2.gz NBXUDNRXADJBMI-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP COCCOCN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001275743296 861186329 /nfs/dbraw/zinc/18/63/29/861186329.db2.gz OQPCKNPVKSAKHF-UHFFFAOYSA-N 2 1 355.479 0.252 20 0 FCADMP COC(C)(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CCN1CC2 ZINC001280056632 863227655 /nfs/dbraw/zinc/22/76/55/863227655.db2.gz SNTBASMZVFZOON-ZACQAIPSSA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280056632 863227666 /nfs/dbraw/zinc/22/76/66/863227666.db2.gz SNTBASMZVFZOON-ZACQAIPSSA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280056632 863227679 /nfs/dbraw/zinc/22/76/79/863227679.db2.gz SNTBASMZVFZOON-ZACQAIPSSA-N 2 1 351.491 0.807 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)CC1 ZINC001280125682 863276285 /nfs/dbraw/zinc/27/62/85/863276285.db2.gz MZGBFIUIITYGAQ-SQNIBIBYSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)CC1 ZINC001280125449 863276605 /nfs/dbraw/zinc/27/66/05/863276605.db2.gz JGJYCJBHQGNDRU-BEFAXECRSA-N 2 1 350.482 0.657 20 0 FCADMP C[NH+]1CCC(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)CC1 ZINC001280126686 863278018 /nfs/dbraw/zinc/27/80/18/863278018.db2.gz ZHCJMVWXEHOMSD-MLHJIOFPSA-N 2 1 351.491 0.305 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280137572 863288392 /nfs/dbraw/zinc/28/83/92/863288392.db2.gz KVUKBTGBFINDHL-VQIMIIECSA-N 2 1 350.507 0.683 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280211393 863340302 /nfs/dbraw/zinc/34/03/02/863340302.db2.gz SKHSANSGBQCFNM-RHSMWYFYSA-N 2 1 357.520 0.201 20 0 FCADMP C[NH+]1CCC(C)(C[NH+]2CC3(C[C@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280211372 863341025 /nfs/dbraw/zinc/34/10/25/863341025.db2.gz SAYBQUSWSAZUSP-AWEZNQCLSA-N 2 1 357.520 0.201 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257152 863364547 /nfs/dbraw/zinc/36/45/47/863364547.db2.gz GJWYJCLEYBDPTQ-DDBAPUKQSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257152 863364557 /nfs/dbraw/zinc/36/45/57/863364557.db2.gz GJWYJCLEYBDPTQ-DDBAPUKQSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257152 863364566 /nfs/dbraw/zinc/36/45/66/863364566.db2.gz GJWYJCLEYBDPTQ-DDBAPUKQSA-N 2 1 351.491 0.570 20 0 FCADMP C[N@H+]1CCC[C@H](CN2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280262036 863368519 /nfs/dbraw/zinc/36/85/19/863368519.db2.gz WQNQMHNVINSELD-GOEBONIOSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280262036 863368529 /nfs/dbraw/zinc/36/85/29/863368529.db2.gz WQNQMHNVINSELD-GOEBONIOSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280262036 863368532 /nfs/dbraw/zinc/36/85/32/863368532.db2.gz WQNQMHNVINSELD-GOEBONIOSA-N 2 1 353.532 0.898 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001282306968 864180861 /nfs/dbraw/zinc/18/08/61/864180861.db2.gz QCONFEFQSDMIQS-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001282306968 864180872 /nfs/dbraw/zinc/18/08/72/864180872.db2.gz QCONFEFQSDMIQS-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC001282306968 864180884 /nfs/dbraw/zinc/18/08/84/864180884.db2.gz QCONFEFQSDMIQS-IKGGRYGDSA-N 2 1 350.507 0.587 20 0 FCADMP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC001349389343 866326542 /nfs/dbraw/zinc/32/65/42/866326542.db2.gz LIHTWQGWTLWQST-UHFFFAOYSA-N 2 1 372.535 0.874 20 0 FCADMP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001350006319 866489184 /nfs/dbraw/zinc/48/91/84/866489184.db2.gz FFGVEUJMRROABJ-SOUVJXGZSA-N 2 1 354.495 0.201 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001350909961 866727677 /nfs/dbraw/zinc/72/76/77/866727677.db2.gz MLCODJSWYSTUJR-UHFFFAOYSA-N 2 1 352.504 0.653 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001350909961 866727686 /nfs/dbraw/zinc/72/76/86/866727686.db2.gz MLCODJSWYSTUJR-UHFFFAOYSA-N 2 1 352.504 0.653 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001351421833 866855312 /nfs/dbraw/zinc/85/53/12/866855312.db2.gz RZZZSJDJJQFEOM-UHFFFAOYSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001351421833 866855335 /nfs/dbraw/zinc/85/53/35/866855335.db2.gz RZZZSJDJJQFEOM-UHFFFAOYSA-N 2 1 354.495 0.855 20 0 FCADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001353149373 867361738 /nfs/dbraw/zinc/36/17/38/867361738.db2.gz LRJQDNCUOQSKPL-OKZBNKHCSA-N 2 1 352.523 0.807 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001353188276 867372636 /nfs/dbraw/zinc/37/26/36/867372636.db2.gz NCMFUZULXRWLTL-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001353324132 867396469 /nfs/dbraw/zinc/39/64/69/867396469.db2.gz CKRPUJWLONGDHQ-CALCHBBNSA-N 2 1 350.507 0.955 20 0 FCADMP O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001353448246 867424779 /nfs/dbraw/zinc/42/47/79/867424779.db2.gz OPFSKICNBYDHMR-BDXSIMOUSA-N 2 1 351.491 0.857 20 0 FCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001353614454 867457270 /nfs/dbraw/zinc/45/72/70/867457270.db2.gz ZTYRIRCDILIWKC-ZWNOBZJWSA-N 2 1 358.236 0.644 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316760448 867460225 /nfs/dbraw/zinc/46/02/25/867460225.db2.gz NNDZTAYEXCHUCL-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCC(F)(F)F ZINC001317077662 867518654 /nfs/dbraw/zinc/51/86/54/867518654.db2.gz DOCIUNDEXADXFM-FPYNETTCSA-N 2 1 364.412 0.630 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001318295680 867637155 /nfs/dbraw/zinc/63/71/55/867637155.db2.gz ZSJLGWAEZKINIR-OAHLLOKOSA-N 2 1 353.511 0.700 20 0 FCADMP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473329 868008855 /nfs/dbraw/zinc/00/88/55/868008855.db2.gz RCOIDSDKSVPLSR-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001356608434 868033526 /nfs/dbraw/zinc/03/35/26/868033526.db2.gz NZOQZKQGEQYAEI-IRXDYDNUSA-N 2 1 350.507 0.779 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@H]21 ZINC001357591231 868139138 /nfs/dbraw/zinc/13/91/38/868139138.db2.gz RDKFRLNZORTFKL-RBSFLKMASA-N 2 1 350.463 0.407 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001321612430 868538968 /nfs/dbraw/zinc/53/89/68/868538968.db2.gz QOORCTXOAOHUJP-GUYCJALGSA-N 2 1 367.519 0.497 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001325429035 869889232 /nfs/dbraw/zinc/88/92/32/869889232.db2.gz VBKGGOZOMJLITG-FXUDXRNXSA-N 2 1 354.495 0.201 20 0 FCADMP Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)s1 ZINC001326276677 870238976 /nfs/dbraw/zinc/23/89/76/870238976.db2.gz DZPSFLKPMAEVNP-UHFFFAOYSA-N 2 1 350.488 0.683 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592361 871531049 /nfs/dbraw/zinc/53/10/49/871531049.db2.gz SCPPQRLOTPKTFX-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346265015 871736836 /nfs/dbraw/zinc/73/68/36/871736836.db2.gz RTZNBFVSMILSBK-HOTGVXAUSA-N 2 1 353.511 0.761 20 0 FCADMP CCO[C@@H]1COC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001346453942 871848170 /nfs/dbraw/zinc/84/81/70/871848170.db2.gz UTVFTOGQMSEMCS-YYIAUSFCSA-N 2 1 352.479 0.401 20 0 FCADMP COC[C@H]1C[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC001329271854 871922174 /nfs/dbraw/zinc/92/21/74/871922174.db2.gz SXUYFTNYHIDVFX-BRSBDYLESA-N 2 1 374.598 0.858 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC001329499376 872072195 /nfs/dbraw/zinc/07/21/95/872072195.db2.gz OGEKTZHKUFNCIF-INIZCTEOSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC001329499377 872072349 /nfs/dbraw/zinc/07/23/49/872072349.db2.gz OGEKTZHKUFNCIF-MRXNPFEDSA-N 2 1 350.507 0.969 20 0 FCADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001330006949 872415099 /nfs/dbraw/zinc/41/50/99/872415099.db2.gz CVRLSMILIIUXAI-BBWFWOEESA-N 2 1 353.532 0.871 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)CC[C@@H]21 ZINC001330619680 872736268 /nfs/dbraw/zinc/73/62/68/872736268.db2.gz RWNNINSFGPWVTA-UTUOFQBUSA-N 2 1 354.405 0.916 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453746 873110789 /nfs/dbraw/zinc/11/07/89/873110789.db2.gz PLPPGTQPIFSWMQ-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H]1C ZINC001331906725 873299129 /nfs/dbraw/zinc/29/91/29/873299129.db2.gz VYQWBCUXIHNWHW-YESZJQIVSA-N 2 1 353.511 0.175 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331906302 873299327 /nfs/dbraw/zinc/29/93/27/873299327.db2.gz SUEWPGLPUYAALS-GVDBMIGSSA-N 2 1 353.511 0.352 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001332628401 873587645 /nfs/dbraw/zinc/58/76/45/873587645.db2.gz QAIQGZVHCZXKHT-HZMVEIRTSA-N 2 1 353.511 0.160 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001333262687 873881283 /nfs/dbraw/zinc/88/12/83/873881283.db2.gz RIESZAHYVCVVEX-KURKYZTESA-N 2 1 350.507 0.430 20 0 FCADMP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000826506000 948424880 /nfs/dbraw/zinc/42/48/80/948424880.db2.gz KQEYAXDBTPPLRR-SFHVURJKSA-N 2 1 358.446 0.572 20 0 FCADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704253 949376944 /nfs/dbraw/zinc/37/69/44/949376944.db2.gz BMKOKPBAGWYGNO-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574706315 949455671 /nfs/dbraw/zinc/45/56/71/949455671.db2.gz LZIFSVLEVUDJHH-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574957396 949607351 /nfs/dbraw/zinc/60/73/51/949607351.db2.gz WZVMITSSOFWLRL-XJKCOSOUSA-N 2 1 357.462 0.801 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574957395 949610888 /nfs/dbraw/zinc/61/08/88/949610888.db2.gz WZVMITSSOFWLRL-WOSRLPQWSA-N 2 1 357.462 0.801 20 0 FCADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724066 949865862 /nfs/dbraw/zinc/86/58/62/949865862.db2.gz FCAOQWYRUPAPCR-ZDUSSCGKSA-N 2 1 374.493 0.920 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208961 950621685 /nfs/dbraw/zinc/62/16/85/950621685.db2.gz WEDOHKUTMFQMIN-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576209237 950626064 /nfs/dbraw/zinc/62/60/64/950626064.db2.gz ZSPAFPUMPKBQOL-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575092554 951794919 /nfs/dbraw/zinc/79/49/19/951794919.db2.gz DUGXEDJVSSTCST-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575109562 951932297 /nfs/dbraw/zinc/93/22/97/951932297.db2.gz SMSKOZRZGKHHIU-XJKSGUPXSA-N 2 1 357.462 0.755 20 0 FCADMP Cc1cc(N2CC[C@@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078952 952136042 /nfs/dbraw/zinc/13/60/42/952136042.db2.gz YSNDJUFNTOUPJN-RDTXWAMCSA-N 2 1 370.461 0.749 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000294752067 214263675 /nfs/dbraw/zinc/26/36/75/214263675.db2.gz WIBCMEZIULZQPN-YLJYHZDGSA-N 2 1 374.529 0.961 20 0 FCADMP Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000295215744 214285331 /nfs/dbraw/zinc/28/53/31/214285331.db2.gz QMULGTBCHHQXJR-YJBOKZPZSA-N 2 1 360.458 0.044 20 0 FCADMP COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000296573831 214356449 /nfs/dbraw/zinc/35/64/49/214356449.db2.gz WDPLTMDLZLAXFM-OAHLLOKOSA-N 2 1 363.458 0.742 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]C[C@H]3c3ccncc3)cn2)CC1 ZINC000262089197 529777883 /nfs/dbraw/zinc/77/78/83/529777883.db2.gz UPKYMHJKFRIVOW-SFHVURJKSA-N 2 1 353.474 0.770 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C[C@@H]21 ZINC000410961729 529797432 /nfs/dbraw/zinc/79/74/32/529797432.db2.gz IUSAIBMWFLCGDA-AHCXZYCDSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961729 529797433 /nfs/dbraw/zinc/79/74/33/529797433.db2.gz IUSAIBMWFLCGDA-AHCXZYCDSA-N 2 1 360.502 0.624 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961729 529797435 /nfs/dbraw/zinc/79/74/35/529797435.db2.gz IUSAIBMWFLCGDA-AHCXZYCDSA-N 2 1 360.502 0.624 20 0 FCADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177079260 529893382 /nfs/dbraw/zinc/89/33/82/529893382.db2.gz XPZRTLPQULSLBA-UHFFFAOYSA-N 2 1 368.400 0.543 20 0 FCADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177079260 529893383 /nfs/dbraw/zinc/89/33/83/529893383.db2.gz XPZRTLPQULSLBA-UHFFFAOYSA-N 2 1 368.400 0.543 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000930718822 674051131 /nfs/dbraw/zinc/05/11/31/674051131.db2.gz RKAPIGGXPCHLBP-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000930718822 674051132 /nfs/dbraw/zinc/05/11/32/674051132.db2.gz RKAPIGGXPCHLBP-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000930718822 674051135 /nfs/dbraw/zinc/05/11/35/674051135.db2.gz RKAPIGGXPCHLBP-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000331484362 215003119 /nfs/dbraw/zinc/00/31/19/215003119.db2.gz UPJFWOUYHPOVPW-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC[C@H]21 ZINC000331550779 215012802 /nfs/dbraw/zinc/01/28/02/215012802.db2.gz JGTFFAHAWXLZNJ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331550779 215012808 /nfs/dbraw/zinc/01/28/08/215012808.db2.gz JGTFFAHAWXLZNJ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000331550779 215012811 /nfs/dbraw/zinc/01/28/11/215012811.db2.gz JGTFFAHAWXLZNJ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562846 215015632 /nfs/dbraw/zinc/01/56/32/215015632.db2.gz SKKUKRAWWWLETD-DAYGRLMNSA-N 2 1 368.547 0.483 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331625454 215025097 /nfs/dbraw/zinc/02/50/97/215025097.db2.gz KOUHTLVOVXQOPV-CKEIUWERSA-N 2 1 354.520 0.235 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000331727518 215040122 /nfs/dbraw/zinc/04/01/22/215040122.db2.gz YMMDXBGQXBPMJH-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000331727518 215040124 /nfs/dbraw/zinc/04/01/24/215040124.db2.gz YMMDXBGQXBPMJH-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000331727518 215040128 /nfs/dbraw/zinc/04/01/28/215040128.db2.gz YMMDXBGQXBPMJH-VVLHAWIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000331770823 215044561 /nfs/dbraw/zinc/04/45/61/215044561.db2.gz IDVOGNKJVHAVFZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000331895306 215064113 /nfs/dbraw/zinc/06/41/13/215064113.db2.gz OYNQHRWMAYOQNC-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000332028190 215081365 /nfs/dbraw/zinc/08/13/65/215081365.db2.gz XYPQNPFIEACXLU-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000332016048 215080149 /nfs/dbraw/zinc/08/01/49/215080149.db2.gz UXIRKYLBGHMTGQ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000332016048 215080150 /nfs/dbraw/zinc/08/01/50/215080150.db2.gz UXIRKYLBGHMTGQ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332016048 215080153 /nfs/dbraw/zinc/08/01/53/215080153.db2.gz UXIRKYLBGHMTGQ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332016048 215080154 /nfs/dbraw/zinc/08/01/54/215080154.db2.gz UXIRKYLBGHMTGQ-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000332045746 215083552 /nfs/dbraw/zinc/08/35/52/215083552.db2.gz KLVFSQPMMFZTGI-UHFFFAOYSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000332063681 215086199 /nfs/dbraw/zinc/08/61/99/215086199.db2.gz RMYLHOSIMNXSBV-UKRRQHHQSA-N 2 1 350.507 0.964 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332061498 215086308 /nfs/dbraw/zinc/08/63/08/215086308.db2.gz YDMHQXLSEDKQRR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000332061498 215086312 /nfs/dbraw/zinc/08/63/12/215086312.db2.gz YDMHQXLSEDKQRR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332061498 215086316 /nfs/dbraw/zinc/08/63/16/215086316.db2.gz YDMHQXLSEDKQRR-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@H]2C1 ZINC000332063682 215086489 /nfs/dbraw/zinc/08/64/89/215086489.db2.gz RMYLHOSIMNXSBV-ZFWWWQNUSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332133192 215099578 /nfs/dbraw/zinc/09/95/78/215099578.db2.gz IPVQGKPYBSLCIB-VXLLPVPCSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332405069 215146953 /nfs/dbraw/zinc/14/69/53/215146953.db2.gz OOPWTMZUFGTISV-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332405069 215146956 /nfs/dbraw/zinc/14/69/56/215146956.db2.gz OOPWTMZUFGTISV-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332416139 215147889 /nfs/dbraw/zinc/14/78/89/215147889.db2.gz UNZOEPOAZGDVLR-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332416139 215147893 /nfs/dbraw/zinc/14/78/93/215147893.db2.gz UNZOEPOAZGDVLR-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000332466878 215156617 /nfs/dbraw/zinc/15/66/17/215156617.db2.gz SMMUCSGPCDGRMH-UHFFFAOYSA-N 2 1 363.487 0.993 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000332513716 215164396 /nfs/dbraw/zinc/16/43/96/215164396.db2.gz LFMUFCCAUZKCOF-SJORKVTESA-N 2 1 366.506 0.284 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000332563113 215180157 /nfs/dbraw/zinc/18/01/57/215180157.db2.gz VZZHMVLVNYYZGV-HOTGVXAUSA-N 2 1 359.474 0.624 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000332629132 215193529 /nfs/dbraw/zinc/19/35/29/215193529.db2.gz DGRDSNAZEOONST-UOVPBQLFSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000332629132 215193532 /nfs/dbraw/zinc/19/35/32/215193532.db2.gz DGRDSNAZEOONST-UOVPBQLFSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C[C@H](C)[N@H+]1C ZINC000332655418 215198858 /nfs/dbraw/zinc/19/88/58/215198858.db2.gz MLONCULRBKSYBQ-ATLSCFEFSA-N 2 1 358.486 0.738 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C[C@H](C)[N@@H+]1C ZINC000332655418 215198861 /nfs/dbraw/zinc/19/88/61/215198861.db2.gz MLONCULRBKSYBQ-ATLSCFEFSA-N 2 1 358.486 0.738 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000333007088 215223280 /nfs/dbraw/zinc/22/32/80/215223280.db2.gz AHQAIBFPHZHQQJ-IRXDYDNUSA-N 2 1 369.554 0.499 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333356024 215268813 /nfs/dbraw/zinc/26/88/13/215268813.db2.gz KIACALGCPROAHE-OAGGEKHMSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000333373725 215272326 /nfs/dbraw/zinc/27/23/26/215272326.db2.gz MVWYVOQDUUMUPG-ZACQAIPSSA-N 2 1 367.538 0.563 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000333401809 215275660 /nfs/dbraw/zinc/27/56/60/215275660.db2.gz QBSRVYSVNJINCX-SJORKVTESA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401809 215275663 /nfs/dbraw/zinc/27/56/63/215275663.db2.gz QBSRVYSVNJINCX-SJORKVTESA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333401809 215275665 /nfs/dbraw/zinc/27/56/65/215275665.db2.gz QBSRVYSVNJINCX-SJORKVTESA-N 2 1 365.522 0.570 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000333491092 215288798 /nfs/dbraw/zinc/28/87/98/215288798.db2.gz DHQPRVAQIDTRQF-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000333450631 215283221 /nfs/dbraw/zinc/28/32/21/215283221.db2.gz XMIIHGAOBPNGDO-BRWVUGGUSA-N 2 1 360.506 0.984 20 0 FCADMP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000333662919 215306067 /nfs/dbraw/zinc/30/60/67/215306067.db2.gz XFFHZCKJLUJMOF-HZPDHXFCSA-N 2 1 354.495 0.494 20 0 FCADMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333661430 215306251 /nfs/dbraw/zinc/30/62/51/215306251.db2.gz WMCNEQAGXYOFEA-DLBZAZTESA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333661430 215306254 /nfs/dbraw/zinc/30/62/54/215306254.db2.gz WMCNEQAGXYOFEA-DLBZAZTESA-N 2 1 368.522 0.896 20 0 FCADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333676229 215307321 /nfs/dbraw/zinc/30/73/21/215307321.db2.gz YZFOATLVIOJDIT-KRWDZBQOSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333770754 215317461 /nfs/dbraw/zinc/31/74/61/215317461.db2.gz FILVUIVMCATDMU-OWCLPIDISA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333770754 215317464 /nfs/dbraw/zinc/31/74/64/215317464.db2.gz FILVUIVMCATDMU-OWCLPIDISA-N 2 1 351.495 0.370 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000333815543 215321806 /nfs/dbraw/zinc/32/18/06/215321806.db2.gz QGWDBXJOMIIJBD-LJQANCHMSA-N 2 1 365.522 0.762 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333824303 215323638 /nfs/dbraw/zinc/32/36/38/215323638.db2.gz LIPFAKGKNYZZKN-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333824303 215323641 /nfs/dbraw/zinc/32/36/41/215323641.db2.gz LIPFAKGKNYZZKN-HZPDHXFCSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[NH+]1CCOCC1 ZINC000333907576 215329222 /nfs/dbraw/zinc/32/92/22/215329222.db2.gz KHTDYLUVHCBEEP-KURKYZTESA-N 2 1 368.522 0.881 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000333929956 215331907 /nfs/dbraw/zinc/33/19/07/215331907.db2.gz YSKGLXRXGMPTHQ-HNNXBMFYSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000333937900 215331937 /nfs/dbraw/zinc/33/19/37/215331937.db2.gz LZBSRFMDIMHSSC-CYBMUJFWSA-N 2 1 350.488 0.879 20 0 FCADMP C[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000333937900 215331940 /nfs/dbraw/zinc/33/19/40/215331940.db2.gz LZBSRFMDIMHSSC-CYBMUJFWSA-N 2 1 350.488 0.879 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333929065 215331826 /nfs/dbraw/zinc/33/18/26/215331826.db2.gz XZDHJVDAPZTVBF-QGZVFWFLSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333941841 215332783 /nfs/dbraw/zinc/33/27/83/215332783.db2.gz PKQUNRFAKDQNLU-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000333941841 215332786 /nfs/dbraw/zinc/33/27/86/215332786.db2.gz PKQUNRFAKDQNLU-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000334076098 215341008 /nfs/dbraw/zinc/34/10/08/215341008.db2.gz UVUIWKWQDDZHFB-JKSUJKDBSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000285540691 213356339 /nfs/dbraw/zinc/35/63/39/213356339.db2.gz BVRGNLDAVVIFGY-OAHLLOKOSA-N 2 1 366.531 0.891 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000285402825 213337655 /nfs/dbraw/zinc/33/76/55/213337655.db2.gz XIEFTXJJTAKDDB-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000285402825 213337657 /nfs/dbraw/zinc/33/76/57/213337657.db2.gz XIEFTXJJTAKDDB-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000285402825 213337660 /nfs/dbraw/zinc/33/76/60/213337660.db2.gz XIEFTXJJTAKDDB-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000285359646 213330778 /nfs/dbraw/zinc/33/07/78/213330778.db2.gz SLIHDPSSUIDNDI-OAHLLOKOSA-N 2 1 350.444 0.525 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086604 213281524 /nfs/dbraw/zinc/28/15/24/213281524.db2.gz PPASVVZKLIIMJW-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285086604 213281527 /nfs/dbraw/zinc/28/15/27/213281527.db2.gz PPASVVZKLIIMJW-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285086604 213281530 /nfs/dbraw/zinc/28/15/30/213281530.db2.gz PPASVVZKLIIMJW-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000285078104 213279548 /nfs/dbraw/zinc/27/95/48/213279548.db2.gz PGCJUCSKSABECQ-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078104 213279553 /nfs/dbraw/zinc/27/95/53/213279553.db2.gz PGCJUCSKSABECQ-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078104 213279557 /nfs/dbraw/zinc/27/95/57/213279557.db2.gz PGCJUCSKSABECQ-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000284895159 213243945 /nfs/dbraw/zinc/24/39/45/213243945.db2.gz MBKJBBRMFXIJAX-UHFFFAOYSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000284650301 213189402 /nfs/dbraw/zinc/18/94/02/213189402.db2.gz SQAJONVPSLBZGV-MRXNPFEDSA-N 2 1 350.438 0.755 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284563849 213169395 /nfs/dbraw/zinc/16/93/95/213169395.db2.gz VSSRJIUJNAGDNV-GJZGRUSLSA-N 2 1 350.463 0.799 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284563849 213169399 /nfs/dbraw/zinc/16/93/99/213169399.db2.gz VSSRJIUJNAGDNV-GJZGRUSLSA-N 2 1 350.463 0.799 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284461615 213145530 /nfs/dbraw/zinc/14/55/30/213145530.db2.gz QMEYVWHZSKKMBJ-OAHLLOKOSA-N 2 1 350.463 0.943 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000284436039 213138314 /nfs/dbraw/zinc/13/83/14/213138314.db2.gz LDVBKGFTIHLFLN-UHFFFAOYSA-N 2 1 359.474 0.373 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284356404 213119796 /nfs/dbraw/zinc/11/97/96/213119796.db2.gz KZBFGUVNSKBBOV-HUUCEWRRSA-N 2 1 350.463 0.989 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284356404 213119800 /nfs/dbraw/zinc/11/98/00/213119800.db2.gz KZBFGUVNSKBBOV-HUUCEWRRSA-N 2 1 350.463 0.989 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284354363 213119353 /nfs/dbraw/zinc/11/93/53/213119353.db2.gz KZBFGUVNSKBBOV-CABCVRRESA-N 2 1 350.463 0.989 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284354363 213119355 /nfs/dbraw/zinc/11/93/55/213119355.db2.gz KZBFGUVNSKBBOV-CABCVRRESA-N 2 1 350.463 0.989 20 0 FCADMP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988962 213049777 /nfs/dbraw/zinc/04/97/77/213049777.db2.gz PQHVVJMFKHYUFC-RDJZCZTQSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000283988962 213049780 /nfs/dbraw/zinc/04/97/80/213049780.db2.gz PQHVVJMFKHYUFC-RDJZCZTQSA-N 2 1 355.442 0.779 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366595516 216002103 /nfs/dbraw/zinc/00/21/03/216002103.db2.gz GUDILJHSFNLXSD-ILXRZTDVSA-N 2 1 353.429 0.884 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366838096 216040644 /nfs/dbraw/zinc/04/06/44/216040644.db2.gz UPXYJKIPHPIXBG-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000413351918 237320366 /nfs/dbraw/zinc/32/03/66/237320366.db2.gz MLLWYAXAEJKSSU-CVEARBPZSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030318 216065509 /nfs/dbraw/zinc/06/55/09/216065509.db2.gz PYLPXXVQDJZHCM-HZPDHXFCSA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000367174227 216087085 /nfs/dbraw/zinc/08/70/85/216087085.db2.gz PJPUNHBNQPYIFM-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@@H+]1C[C@H](C)O ZINC000246545900 209391611 /nfs/dbraw/zinc/39/16/11/209391611.db2.gz SVBHNVSTUSYUCA-DZGCQCFKSA-N 2 1 364.494 0.428 20 0 FCADMP CC[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@H+]1C[C@H](C)O ZINC000246545900 209391613 /nfs/dbraw/zinc/39/16/13/209391613.db2.gz SVBHNVSTUSYUCA-DZGCQCFKSA-N 2 1 364.494 0.428 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000245386696 209366003 /nfs/dbraw/zinc/36/60/03/209366003.db2.gz PWXLWDXAZJJQKD-ZIFCJYIRSA-N 2 1 355.523 0.501 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237953711 209362786 /nfs/dbraw/zinc/36/27/86/209362786.db2.gz MVKHTFALXUXOGF-ZWKOTPCHSA-N 2 1 374.485 0.201 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237953711 209362791 /nfs/dbraw/zinc/36/27/91/209362791.db2.gz MVKHTFALXUXOGF-ZWKOTPCHSA-N 2 1 374.485 0.201 20 0 FCADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237607736 209355106 /nfs/dbraw/zinc/35/51/06/209355106.db2.gz LTBZINUUVOEIIM-GASCZTMLSA-N 2 1 364.494 0.822 20 0 FCADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)N1CCOCC1 ZINC000194954879 209330700 /nfs/dbraw/zinc/33/07/00/209330700.db2.gz XMSFNOGENADONR-YYIAUSFCSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)N1CCOCC1 ZINC000194954879 209330699 /nfs/dbraw/zinc/33/06/99/209330699.db2.gz XMSFNOGENADONR-YYIAUSFCSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000368705335 216285393 /nfs/dbraw/zinc/28/53/93/216285393.db2.gz ZRRATLFROAKYNH-PMPSAXMXSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368705335 216285397 /nfs/dbraw/zinc/28/53/97/216285397.db2.gz ZRRATLFROAKYNH-PMPSAXMXSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368705335 216285400 /nfs/dbraw/zinc/28/54/00/216285400.db2.gz ZRRATLFROAKYNH-PMPSAXMXSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000368966184 216325638 /nfs/dbraw/zinc/32/56/38/216325638.db2.gz NPPGAXLKZWDQLM-IMBTUZDBSA-N 2 1 358.486 0.991 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000368966184 216325640 /nfs/dbraw/zinc/32/56/40/216325640.db2.gz NPPGAXLKZWDQLM-IMBTUZDBSA-N 2 1 358.486 0.991 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000190211918 209268874 /nfs/dbraw/zinc/26/88/74/209268874.db2.gz VMVUEGQGECEIOI-UHFFFAOYSA-N 2 1 373.501 0.931 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369401758 216396603 /nfs/dbraw/zinc/39/66/03/216396603.db2.gz NSCXIXVRIPQLCS-QZTJIDSGSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402968 216398770 /nfs/dbraw/zinc/39/87/70/216398770.db2.gz SXRYYGCTCNBOHD-MSOLQXFVSA-N 2 1 366.554 0.044 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402970 216399289 /nfs/dbraw/zinc/39/92/89/216399289.db2.gz SXRYYGCTCNBOHD-ROUUACIJSA-N 2 1 366.554 0.044 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000189442134 209251925 /nfs/dbraw/zinc/25/19/25/209251925.db2.gz PDXRXYCXVVLJGW-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCCOCC2)CC1=O ZINC000189442134 209251928 /nfs/dbraw/zinc/25/19/28/209251928.db2.gz PDXRXYCXVVLJGW-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCCOCC2)CC1=O ZINC000189442134 209251931 /nfs/dbraw/zinc/25/19/31/209251931.db2.gz PDXRXYCXVVLJGW-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000189277499 209248558 /nfs/dbraw/zinc/24/85/58/209248558.db2.gz DORBMUDFMSFTJO-SFHVURJKSA-N 2 1 374.529 0.897 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000188660656 209233505 /nfs/dbraw/zinc/23/35/05/209233505.db2.gz YESWBIWZRWBCGB-OAHLLOKOSA-N 2 1 364.490 0.939 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000187980400 209221819 /nfs/dbraw/zinc/22/18/19/209221819.db2.gz FCZQYYVMEXPROB-OTWHNJEPSA-N 2 1 360.502 0.858 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000187980400 209221822 /nfs/dbraw/zinc/22/18/22/209221822.db2.gz FCZQYYVMEXPROB-OTWHNJEPSA-N 2 1 360.502 0.858 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000187947339 209221108 /nfs/dbraw/zinc/22/11/08/209221108.db2.gz NXMHSBVAOWJERE-FGTMMUONSA-N 2 1 374.485 0.377 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000186638907 209193770 /nfs/dbraw/zinc/19/37/70/209193770.db2.gz IMLFLKRRGBGXHE-SJLPKXTDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](CC)CCO)c2C1 ZINC000185602265 209180526 /nfs/dbraw/zinc/18/05/26/209180526.db2.gz TWFHWQSETYKRRW-UHFFFAOYSA-N 2 1 362.474 0.781 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](CC)CCO)c2C1 ZINC000185602265 209180529 /nfs/dbraw/zinc/18/05/29/209180529.db2.gz TWFHWQSETYKRRW-UHFFFAOYSA-N 2 1 362.474 0.781 20 0 FCADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@H+](CC)CCO)c2C1 ZINC000185602265 209180532 /nfs/dbraw/zinc/18/05/32/209180532.db2.gz TWFHWQSETYKRRW-UHFFFAOYSA-N 2 1 362.474 0.781 20 0 FCADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)c2C1 ZINC000185602265 209180535 /nfs/dbraw/zinc/18/05/35/209180535.db2.gz TWFHWQSETYKRRW-UHFFFAOYSA-N 2 1 362.474 0.781 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000414660827 245306585 /nfs/dbraw/zinc/30/65/85/245306585.db2.gz NPHHNGCYTVVNIT-KRWDZBQOSA-N 2 1 362.474 0.818 20 0 FCADMP COc1ccc(OC)c(C[N@@H+](CCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414689869 245311926 /nfs/dbraw/zinc/31/19/26/245311926.db2.gz GUBJSUROKXUISX-OAHLLOKOSA-N 2 1 365.474 0.695 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415070412 245345885 /nfs/dbraw/zinc/34/58/85/245345885.db2.gz UXYBJDRRMJRRTE-CYBMUJFWSA-N 2 1 363.462 0.799 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954527 245337011 /nfs/dbraw/zinc/33/70/11/245337011.db2.gz LIYQITMXISPMEB-LRDDRELGSA-N 2 1 358.442 0.706 20 0 FCADMP COCC[NH2+]CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414964023 245337388 /nfs/dbraw/zinc/33/73/88/245337388.db2.gz LLLXOUSSWLGXGT-UHFFFAOYSA-N 2 1 350.463 0.919 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000414950602 245338211 /nfs/dbraw/zinc/33/82/11/245338211.db2.gz OYQQESJYUGRMOI-OAHLLOKOSA-N 2 1 372.469 0.452 20 0 FCADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415266936 245369961 /nfs/dbraw/zinc/36/99/61/245369961.db2.gz SMZXHJDJTLAFLR-GDBMZVCRSA-N 2 1 359.474 0.779 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415266936 245369968 /nfs/dbraw/zinc/36/99/68/245369968.db2.gz SMZXHJDJTLAFLR-GDBMZVCRSA-N 2 1 359.474 0.779 20 0 FCADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179937 217106085 /nfs/dbraw/zinc/10/60/85/217106085.db2.gz XEFODQXLUBKVGV-HOTGVXAUSA-N 2 1 350.507 0.907 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637008 217151315 /nfs/dbraw/zinc/15/13/15/217151315.db2.gz MIYMFNKLPMAWAL-FPCVCCKLSA-N 2 1 353.463 0.334 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCC(=O)N2CC[NH+](C)CC2)O1 ZINC000374637008 217151321 /nfs/dbraw/zinc/15/13/21/217151321.db2.gz MIYMFNKLPMAWAL-FPCVCCKLSA-N 2 1 353.463 0.334 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887045 217330460 /nfs/dbraw/zinc/33/04/60/217330460.db2.gz BMPZXKGKTVDDHX-IAGOWNOFSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887045 217330462 /nfs/dbraw/zinc/33/04/62/217330462.db2.gz BMPZXKGKTVDDHX-IAGOWNOFSA-N 2 1 367.538 0.957 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000376196667 217368647 /nfs/dbraw/zinc/36/86/47/217368647.db2.gz OUILKSDVFWYSCI-DLBZAZTESA-N 2 1 356.511 0.849 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000418853183 245867594 /nfs/dbraw/zinc/86/75/94/245867594.db2.gz RTRJWUCKHXVDBD-BPUTZDHNSA-N 2 1 362.474 0.671 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)CCCn2ccnc2)CC1 ZINC000181111933 209107469 /nfs/dbraw/zinc/10/74/69/209107469.db2.gz OPWZNFMVFLROHY-UHFFFAOYSA-N 2 1 351.451 0.942 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000419151136 246020190 /nfs/dbraw/zinc/02/01/90/246020190.db2.gz NDHGZJIOIHGATA-CZUORRHYSA-N 2 1 364.515 0.930 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419145345 246015017 /nfs/dbraw/zinc/01/50/17/246015017.db2.gz AEYCLYCQLYBWFJ-SFHVURJKSA-N 2 1 360.502 0.735 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419149037 246017437 /nfs/dbraw/zinc/01/74/37/246017437.db2.gz DTCTZQBZHQUISG-SCTDSRPQSA-N 2 1 372.513 0.876 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165212 246029368 /nfs/dbraw/zinc/02/93/68/246029368.db2.gz FZKKCNJBXLSCCH-MSOLQXFVSA-N 2 1 360.502 0.767 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000419170546 246031658 /nfs/dbraw/zinc/03/16/58/246031658.db2.gz NTNHZXKOYZCTCB-GOSISDBHSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419171220 246033329 /nfs/dbraw/zinc/03/33/29/246033329.db2.gz OLMXOAFXIHBTDP-SFHVURJKSA-N 2 1 358.486 0.489 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419176259 246035249 /nfs/dbraw/zinc/03/52/49/246035249.db2.gz QITLLHKUNOWNNO-DOTOQJQBSA-N 2 1 373.432 0.790 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419176467 246035698 /nfs/dbraw/zinc/03/56/98/246035698.db2.gz ZFQLJXNJRGDOGC-HZPDHXFCSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000419216203 246058534 /nfs/dbraw/zinc/05/85/34/246058534.db2.gz ZUILCZXEGXMBCI-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000419226284 246064450 /nfs/dbraw/zinc/06/44/50/246064450.db2.gz DJCRXGSTDJNZCA-KYJSFNMBSA-N 2 1 356.470 0.370 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000419226284 246064456 /nfs/dbraw/zinc/06/44/56/246064456.db2.gz DJCRXGSTDJNZCA-KYJSFNMBSA-N 2 1 356.470 0.370 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228595 246067478 /nfs/dbraw/zinc/06/74/78/246067478.db2.gz MLVAIFVONPNJSL-BQFCYCMXSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419230831 246066643 /nfs/dbraw/zinc/06/66/43/246066643.db2.gz IYKIWJSFERRLOJ-BZUAXINKSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419230831 246066646 /nfs/dbraw/zinc/06/66/46/246066646.db2.gz IYKIWJSFERRLOJ-BZUAXINKSA-N 2 1 358.486 0.758 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419230515 246066984 /nfs/dbraw/zinc/06/69/84/246066984.db2.gz IWBWANCHNZPECZ-CYBMUJFWSA-N 2 1 352.504 0.679 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419230515 246066988 /nfs/dbraw/zinc/06/69/88/246066988.db2.gz IWBWANCHNZPECZ-CYBMUJFWSA-N 2 1 352.504 0.679 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419208465 246054441 /nfs/dbraw/zinc/05/44/41/246054441.db2.gz AIPSGYBPUFKDKR-RDBSUJKOSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419208465 246054446 /nfs/dbraw/zinc/05/44/46/246054446.db2.gz AIPSGYBPUFKDKR-RDBSUJKOSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419230858 246068804 /nfs/dbraw/zinc/06/88/04/246068804.db2.gz JBGUUPIYTZOGPJ-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419230858 246068809 /nfs/dbraw/zinc/06/88/09/246068809.db2.gz JBGUUPIYTZOGPJ-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419231777 246069964 /nfs/dbraw/zinc/06/99/64/246069964.db2.gz KDQMEEWMEKQAIT-RKVPGOIHSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419231777 246069968 /nfs/dbraw/zinc/06/99/68/246069968.db2.gz KDQMEEWMEKQAIT-RKVPGOIHSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419241609 246073436 /nfs/dbraw/zinc/07/34/36/246073436.db2.gz RXWZPKPPUAWCHR-BXUZGUMPSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419241609 246073441 /nfs/dbraw/zinc/07/34/41/246073441.db2.gz RXWZPKPPUAWCHR-BXUZGUMPSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419250609 246077197 /nfs/dbraw/zinc/07/71/97/246077197.db2.gz ZGIAYXSGLDACNZ-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419250609 246077200 /nfs/dbraw/zinc/07/72/00/246077200.db2.gz ZGIAYXSGLDACNZ-YJBOKZPZSA-N 2 1 358.486 0.889 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)[nH+]c1 ZINC000419304629 246092999 /nfs/dbraw/zinc/09/29/99/246092999.db2.gz UXQGATLMKFXMEV-GOEBONIOSA-N 2 1 359.474 0.719 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419390288 246129570 /nfs/dbraw/zinc/12/95/70/246129570.db2.gz ILNNSXROOMSINQ-YTQUADARSA-N 2 1 370.497 0.665 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419390288 246129573 /nfs/dbraw/zinc/12/95/73/246129573.db2.gz ILNNSXROOMSINQ-YTQUADARSA-N 2 1 370.497 0.665 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419416558 246149078 /nfs/dbraw/zinc/14/90/78/246149078.db2.gz WIJJIOXEHACVAX-IRXDYDNUSA-N 2 1 368.522 0.722 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419417026 246149094 /nfs/dbraw/zinc/14/90/94/246149094.db2.gz HQBWCHMPYHEAOY-TWMKSMIVSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419417028 246150279 /nfs/dbraw/zinc/15/02/79/246150279.db2.gz HQBWCHMPYHEAOY-VVLHAWIVSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399420 246135468 /nfs/dbraw/zinc/13/54/68/246135468.db2.gz JUJXCOCOFBIANF-UKRRQHHQSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399420 246135472 /nfs/dbraw/zinc/13/54/72/246135472.db2.gz JUJXCOCOFBIANF-UKRRQHHQSA-N 2 1 368.428 0.723 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419403210 246137574 /nfs/dbraw/zinc/13/75/74/246137574.db2.gz CWZCNESUCIYPRL-ZWKOTPCHSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403874 246138088 /nfs/dbraw/zinc/13/80/88/246138088.db2.gz SAOVTMXHIKTXKA-JQHSSLGASA-N 2 1 374.485 0.118 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000419405446 246139939 /nfs/dbraw/zinc/13/99/39/246139939.db2.gz HMCLYDORGXBJHP-ILXRZTDVSA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000419407903 246140616 /nfs/dbraw/zinc/14/06/16/246140616.db2.gz KXVZQAIYOIBZFS-YOEHRIQHSA-N 2 1 350.488 0.679 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409190 246142111 /nfs/dbraw/zinc/14/21/11/246142111.db2.gz DTRLBMYAWNUULY-UAGQMJEPSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409190 246142117 /nfs/dbraw/zinc/14/21/17/246142117.db2.gz DTRLBMYAWNUULY-UAGQMJEPSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407754 246143169 /nfs/dbraw/zinc/14/31/69/246143169.db2.gz YZXUMPSJEDBKGU-LZLYRXPVSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419411024 246144798 /nfs/dbraw/zinc/14/47/98/246144798.db2.gz PQCAMPIZQUBWGW-RYQLBKOJSA-N 2 1 358.486 0.788 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000419428547 246159164 /nfs/dbraw/zinc/15/91/64/246159164.db2.gz TVUUECXGGDALNA-KRWDZBQOSA-N 2 1 360.502 0.993 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419418563 246151647 /nfs/dbraw/zinc/15/16/47/246151647.db2.gz IHNLIBIEPQAVRR-LPHOPBHVSA-N 2 1 372.513 0.994 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419419908 246152462 /nfs/dbraw/zinc/15/24/62/246152462.db2.gz ZOBNBLHIGXGLCZ-ROUUACIJSA-N 2 1 374.485 0.126 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419503807 246182974 /nfs/dbraw/zinc/18/29/74/246182974.db2.gz FHQJPQQFJFFNEW-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505631 246183764 /nfs/dbraw/zinc/18/37/64/246183764.db2.gz LZPBGUMJQVGLOU-SJORKVTESA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507774 246184972 /nfs/dbraw/zinc/18/49/72/246184972.db2.gz PSUXXALGKWJQKW-YJBOKZPZSA-N 2 1 373.501 0.167 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419509767 246185170 /nfs/dbraw/zinc/18/51/70/246185170.db2.gz UOGLBUFHWGPTNC-QGZVFWFLSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507110 246186353 /nfs/dbraw/zinc/18/63/53/246186353.db2.gz OVSMZYJCJKHQAF-KRWDZBQOSA-N 2 1 373.501 0.135 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419512607 246186711 /nfs/dbraw/zinc/18/67/11/246186711.db2.gz XJWFNVURTZHOSY-HNNXBMFYSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419524320 246190004 /nfs/dbraw/zinc/19/00/04/246190004.db2.gz BWQUPCZZYQCOJY-JFIYKMOQSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419476917 246175813 /nfs/dbraw/zinc/17/58/13/246175813.db2.gz QNQUUHDNZAPUAC-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419485740 246178008 /nfs/dbraw/zinc/17/80/08/246178008.db2.gz WGDURLVXGVAVNW-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000419587725 246212486 /nfs/dbraw/zinc/21/24/86/246212486.db2.gz NSPOQMCPFXCYAC-KBRIMQKVSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419532198 246195482 /nfs/dbraw/zinc/19/54/82/246195482.db2.gz MSYPUBSFHMDDGV-KBAYOESNSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533701 246195861 /nfs/dbraw/zinc/19/58/61/246195861.db2.gz PAXNCTVFWOJWBV-DDBAPUKQSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419536464 246195881 /nfs/dbraw/zinc/19/58/81/246195881.db2.gz ULDPUTCXNXXOMY-BVBHFADKSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419534725 246195893 /nfs/dbraw/zinc/19/58/93/246195893.db2.gz QMRWYJUTMFIDJZ-YJBOKZPZSA-N 2 1 358.486 0.820 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000419548494 246199173 /nfs/dbraw/zinc/19/91/73/246199173.db2.gz TVWNEWDDCFZFRD-QGZVFWFLSA-N 2 1 362.474 0.244 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000419621843 246220199 /nfs/dbraw/zinc/22/01/99/246220199.db2.gz FSXDPUWLLXWLHI-DOPJRALCSA-N 2 1 374.460 0.845 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000419650367 246230704 /nfs/dbraw/zinc/23/07/04/246230704.db2.gz CVDMDZNQPPPXCI-YSHGAJCASA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1 ZINC000419651550 246230841 /nfs/dbraw/zinc/23/08/41/246230841.db2.gz OZKVVXWNUHESQT-GFCCVEGCSA-N 2 1 356.417 0.942 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000419654520 246231325 /nfs/dbraw/zinc/23/13/25/246231325.db2.gz GRAIMEJUHMLXJK-ZFWWWQNUSA-N 2 1 368.428 0.866 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000419654520 246231331 /nfs/dbraw/zinc/23/13/31/246231331.db2.gz GRAIMEJUHMLXJK-ZFWWWQNUSA-N 2 1 368.428 0.866 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419670123 246238698 /nfs/dbraw/zinc/23/86/98/246238698.db2.gz FRFBMMFHVQLSAW-BZUAXINKSA-N 2 1 354.495 0.188 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000419695821 246255255 /nfs/dbraw/zinc/25/52/55/246255255.db2.gz NFDUFDQXZDCREU-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419698937 246256986 /nfs/dbraw/zinc/25/69/86/246256986.db2.gz UQUPMBHWLRLCBS-SJLPKXTDSA-N 2 1 371.485 0.688 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419698937 246256992 /nfs/dbraw/zinc/25/69/92/246256992.db2.gz UQUPMBHWLRLCBS-SJLPKXTDSA-N 2 1 371.485 0.688 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419701886 246257255 /nfs/dbraw/zinc/25/72/55/246257255.db2.gz BJHHSGLBPDECLS-UIBIWLFHSA-N 2 1 358.486 0.974 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419710888 246262950 /nfs/dbraw/zinc/26/29/50/246262950.db2.gz RFEFTKAGPJOMPJ-SZMVWBNQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000419714389 246265576 /nfs/dbraw/zinc/26/55/76/246265576.db2.gz XUQAXFWAERWFCZ-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419712837 246266275 /nfs/dbraw/zinc/26/62/75/246266275.db2.gz UMOOEPGUMSFAHM-QAPCUYQASA-N 2 1 356.470 0.802 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419715901 246267828 /nfs/dbraw/zinc/26/78/28/246267828.db2.gz ZZDKUUFOXIHFCX-MUQADHOPSA-N 2 1 358.486 0.974 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419759224 246286865 /nfs/dbraw/zinc/28/68/65/246286865.db2.gz GMZPRVKRQOLUPG-CEXWTWQISA-N 2 1 370.497 0.691 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762350 246289114 /nfs/dbraw/zinc/28/91/14/246289114.db2.gz RSVSWPQGUHKYID-HOCLYGCPSA-N 2 1 364.465 0.960 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419762372 246289788 /nfs/dbraw/zinc/28/97/88/246289788.db2.gz RVJWDLVZIUAQLI-IBGZPJMESA-N 2 1 364.465 0.880 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419760299 246289840 /nfs/dbraw/zinc/28/98/40/246289840.db2.gz NJXUSKHPAMAKIO-UHFFFAOYSA-N 2 1 364.465 0.832 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419805360 246302343 /nfs/dbraw/zinc/30/23/43/246302343.db2.gz DLFKYVGPLCAQGK-HUUCEWRRSA-N 2 1 364.446 0.027 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000419834968 246313345 /nfs/dbraw/zinc/31/33/45/246313345.db2.gz UPKRTULMHXGMSD-NVXWUHKLSA-N 2 1 367.538 0.010 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419841687 246316775 /nfs/dbraw/zinc/31/67/75/246316775.db2.gz KOLPHGASOIAYRE-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419842898 246317080 /nfs/dbraw/zinc/31/70/80/246317080.db2.gz INMKYOZKKMCNHM-UHFFFAOYSA-N 2 1 358.486 0.632 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419858095 246327704 /nfs/dbraw/zinc/32/77/04/246327704.db2.gz HLSAGTMJHAEPRH-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867458 246334978 /nfs/dbraw/zinc/33/49/78/246334978.db2.gz KYWWRIVCTMEMOF-KRWDZBQOSA-N 2 1 367.538 0.169 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419907810 246364318 /nfs/dbraw/zinc/36/43/18/246364318.db2.gz XUZSSQSUTHHELC-QKPAOTATSA-N 2 1 354.495 0.106 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419878144 246345631 /nfs/dbraw/zinc/34/56/31/246345631.db2.gz YNBRHBIJJLFSBF-ZWKOTPCHSA-N 2 1 358.486 0.963 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419886541 246353022 /nfs/dbraw/zinc/35/30/22/246353022.db2.gz PSNALMWKLSOJFS-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419886541 246353026 /nfs/dbraw/zinc/35/30/26/246353026.db2.gz PSNALMWKLSOJFS-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419905903 246361679 /nfs/dbraw/zinc/36/16/79/246361679.db2.gz XDPBAOASIJIKKY-LZLYRXPVSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419905903 246361685 /nfs/dbraw/zinc/36/16/85/246361685.db2.gz XDPBAOASIJIKKY-LZLYRXPVSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967169 246392676 /nfs/dbraw/zinc/39/26/76/246392676.db2.gz APFOJLVFQXUWNA-ZBFHGGJFSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967169 246392679 /nfs/dbraw/zinc/39/26/79/246392679.db2.gz APFOJLVFQXUWNA-ZBFHGGJFSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967164 246394216 /nfs/dbraw/zinc/39/42/16/246394216.db2.gz APFOJLVFQXUWNA-HOCLYGCPSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419967164 246394222 /nfs/dbraw/zinc/39/42/22/246394222.db2.gz APFOJLVFQXUWNA-HOCLYGCPSA-N 2 1 368.522 0.314 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419974004 246395776 /nfs/dbraw/zinc/39/57/76/246395776.db2.gz IPYIFDFUPQRWLH-XYJFISCASA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423421523 247023283 /nfs/dbraw/zinc/02/32/83/247023283.db2.gz CJVBKSPQNPCLOW-ZSGPHXLJSA-N 3 1 366.531 0.785 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530549 247045123 /nfs/dbraw/zinc/04/51/23/247045123.db2.gz PPSHROWYMNRVNV-IAGOWNOFSA-N 2 1 367.538 0.199 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@H](C)[NH2+]1 ZINC000423567458 247055041 /nfs/dbraw/zinc/05/50/41/247055041.db2.gz CXSCYGICTNWXAX-LAQRGFTBSA-N 2 1 373.501 0.742 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423589740 247065712 /nfs/dbraw/zinc/06/57/12/247065712.db2.gz HKGIJAVXUITSEJ-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000423596595 247068761 /nfs/dbraw/zinc/06/87/61/247068761.db2.gz RZPNAORPEWUBJD-HNNXBMFYSA-N 2 1 360.458 0.970 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)COC1CC[NH2+]CC1 ZINC000423418410 247024273 /nfs/dbraw/zinc/02/42/73/247024273.db2.gz HVGNOUUAHUVXIA-MRXNPFEDSA-N 2 1 361.490 0.477 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423438661 247027961 /nfs/dbraw/zinc/02/79/61/247027961.db2.gz HCWNMWUWLHZBSZ-XLAORIBOSA-N 2 1 362.518 0.763 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423473049 247032745 /nfs/dbraw/zinc/03/27/45/247032745.db2.gz QMYXPKVIVBAZDJ-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000423473049 247032750 /nfs/dbraw/zinc/03/27/50/247032750.db2.gz QMYXPKVIVBAZDJ-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423498582 247036853 /nfs/dbraw/zinc/03/68/53/247036853.db2.gz IFZMTRFTIBXEKH-IYBDPMFKSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000423528992 247041514 /nfs/dbraw/zinc/04/15/14/247041514.db2.gz PLYPYHVCMOGRMX-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000423528992 247041521 /nfs/dbraw/zinc/04/15/21/247041521.db2.gz PLYPYHVCMOGRMX-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532137 247043933 /nfs/dbraw/zinc/04/39/33/247043933.db2.gz UTTUYVYCUMRXTC-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423532137 247043939 /nfs/dbraw/zinc/04/39/39/247043939.db2.gz UTTUYVYCUMRXTC-GVDBMIGSSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423680513 247106363 /nfs/dbraw/zinc/10/63/63/247106363.db2.gz MPAWFGCBILEVFA-VYDXJSESSA-N 2 1 366.506 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000423621950 247079119 /nfs/dbraw/zinc/07/91/19/247079119.db2.gz LOBVUBDORZJXIQ-GDBMZVCRSA-N 2 1 352.479 0.038 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423625128 247080605 /nfs/dbraw/zinc/08/06/05/247080605.db2.gz QPGAQXILCUHMOA-OAHLLOKOSA-N 2 1 364.515 0.775 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000423696861 247114375 /nfs/dbraw/zinc/11/43/75/247114375.db2.gz MGWKYCQNGMACGL-USXIJHARSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423646709 247090258 /nfs/dbraw/zinc/09/02/58/247090258.db2.gz MGDHWNZYOBDZPW-FGTMMUONSA-N 2 1 356.470 0.527 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000423653338 247094839 /nfs/dbraw/zinc/09/48/39/247094839.db2.gz OTFVLNUNIHWNKF-CABCVRRESA-N 2 1 350.463 0.756 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656017 247098093 /nfs/dbraw/zinc/09/80/93/247098093.db2.gz TWHIFYRGHJYPRI-DSLXNQLJSA-N 2 1 370.497 0.773 20 0 FCADMP C[NH2+]CCCC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423926439 247151336 /nfs/dbraw/zinc/15/13/36/247151336.db2.gz PGCCNMDYIJRPFF-KBPBESRZSA-N 2 1 352.458 0.917 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)C[NH2+]CC2CC2)cc[nH+]1 ZINC000423927646 247152439 /nfs/dbraw/zinc/15/24/39/247152439.db2.gz QXUMJIGKUSQFGW-KBPBESRZSA-N 2 1 350.442 0.575 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423703195 247115682 /nfs/dbraw/zinc/11/56/82/247115682.db2.gz ZROCMZUJBGUMLI-QLFBSQMISA-N 2 1 354.495 0.018 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000423703195 247115684 /nfs/dbraw/zinc/11/56/84/247115684.db2.gz ZROCMZUJBGUMLI-QLFBSQMISA-N 2 1 354.495 0.018 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423703167 247116360 /nfs/dbraw/zinc/11/63/60/247116360.db2.gz ZQRJHPSJDJPKTM-CVEARBPZSA-N 2 1 362.474 0.913 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@H]1C[NH3+] ZINC000423717649 247122418 /nfs/dbraw/zinc/12/24/18/247122418.db2.gz BFGWTVYLUAEWAD-MJGOQNOKSA-N 2 1 372.513 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)CCO1 ZINC000423716988 247123101 /nfs/dbraw/zinc/12/31/01/247123101.db2.gz ASUROBTVFCWUSA-ZMSDIMECSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[C@H]1C[NH3+] ZINC000423724377 247126770 /nfs/dbraw/zinc/12/67/70/247126770.db2.gz HBQBEWNAFMNZGY-HOCLYGCPSA-N 2 1 361.490 0.787 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423749492 247137487 /nfs/dbraw/zinc/13/74/87/247137487.db2.gz RUOAGNCVJLDZAX-XHSDSOJGSA-N 2 1 355.479 0.759 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424500727 247242840 /nfs/dbraw/zinc/24/28/40/247242840.db2.gz DDZIGKBCRMWVBJ-HUUCEWRRSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CC[NH2+]CC2 ZINC000424532045 247253394 /nfs/dbraw/zinc/25/33/94/247253394.db2.gz XMHQYKJXAYOFEB-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)c1 ZINC000424433590 247214294 /nfs/dbraw/zinc/21/42/94/247214294.db2.gz CEHUOULLGHNALW-UHFFFAOYSA-N 2 1 361.490 0.534 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424540095 247254176 /nfs/dbraw/zinc/25/41/76/247254176.db2.gz GEQDNXMQPLHRJK-LSDHHAIUSA-N 2 1 366.412 0.430 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424540095 247254182 /nfs/dbraw/zinc/25/41/82/247254182.db2.gz GEQDNXMQPLHRJK-LSDHHAIUSA-N 2 1 366.412 0.430 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000424463554 247226760 /nfs/dbraw/zinc/22/67/60/247226760.db2.gz HOVJUKZQDDKTBN-AWEZNQCLSA-N 2 1 362.474 0.696 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000424463554 247226766 /nfs/dbraw/zinc/22/67/66/247226766.db2.gz HOVJUKZQDDKTBN-AWEZNQCLSA-N 2 1 362.474 0.696 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000424548436 247259696 /nfs/dbraw/zinc/25/96/96/247259696.db2.gz PVBSSLZPZLSQGV-UHFFFAOYSA-N 2 1 374.485 0.475 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000424548499 247260386 /nfs/dbraw/zinc/26/03/86/247260386.db2.gz PWSVXEKKUYENPL-OAHLLOKOSA-N 2 1 354.495 0.189 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425384576 247330784 /nfs/dbraw/zinc/33/07/84/247330784.db2.gz JXAPWJTVENGLJQ-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430655107 247722654 /nfs/dbraw/zinc/72/26/54/247722654.db2.gz QZDHZDVJXBEHKK-KBPBESRZSA-N 2 1 350.467 0.578 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430655107 247722657 /nfs/dbraw/zinc/72/26/57/247722657.db2.gz QZDHZDVJXBEHKK-KBPBESRZSA-N 2 1 350.467 0.578 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000436065397 248030471 /nfs/dbraw/zinc/03/04/71/248030471.db2.gz XPFAWQXIQXYZFK-BBWFWOEESA-N 2 1 366.506 0.476 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000436065397 248030474 /nfs/dbraw/zinc/03/04/74/248030474.db2.gz XPFAWQXIQXYZFK-BBWFWOEESA-N 2 1 366.506 0.476 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000440179409 248161715 /nfs/dbraw/zinc/16/17/15/248161715.db2.gz ZWVZRWSYGZEEAL-IEBWSBKVSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000440179409 248161720 /nfs/dbraw/zinc/16/17/20/248161720.db2.gz ZWVZRWSYGZEEAL-IEBWSBKVSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000440179424 248161921 /nfs/dbraw/zinc/16/19/21/248161921.db2.gz ZWVZRWSYGZEEAL-PKOBYXMFSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000440179424 248161925 /nfs/dbraw/zinc/16/19/25/248161925.db2.gz ZWVZRWSYGZEEAL-PKOBYXMFSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000442583120 248291942 /nfs/dbraw/zinc/29/19/42/248291942.db2.gz KLERGOKUVDRACQ-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC000442583120 248291945 /nfs/dbraw/zinc/29/19/45/248291945.db2.gz KLERGOKUVDRACQ-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC000442583120 248291947 /nfs/dbraw/zinc/29/19/47/248291947.db2.gz KLERGOKUVDRACQ-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442760912 248296129 /nfs/dbraw/zinc/29/61/29/248296129.db2.gz OHKIVHOFZXBTDL-VNHYZAJKSA-N 2 1 368.503 0.050 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000442778662 248296400 /nfs/dbraw/zinc/29/64/00/248296400.db2.gz KVHNHJUBKWKWIB-QWHCGFSZSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000442778662 248296402 /nfs/dbraw/zinc/29/64/02/248296402.db2.gz KVHNHJUBKWKWIB-QWHCGFSZSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771849 248297134 /nfs/dbraw/zinc/29/71/34/248297134.db2.gz UNNRKVGBGSDXJG-AEFFLSMTSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771849 248297136 /nfs/dbraw/zinc/29/71/36/248297136.db2.gz UNNRKVGBGSDXJG-AEFFLSMTSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444254990 248353508 /nfs/dbraw/zinc/35/35/08/248353508.db2.gz WMSWYCYXMDZLLK-KZNAEPCWSA-N 2 1 354.539 0.754 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446370325 248387713 /nfs/dbraw/zinc/38/77/13/248387713.db2.gz RMTNIXFCDYXHHW-SIXWZSSISA-N 2 1 366.506 0.141 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000446684693 248394140 /nfs/dbraw/zinc/39/41/40/248394140.db2.gz SWGHBHPFLNFKQM-UHFFFAOYSA-N 2 1 369.554 0.502 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857680 250007252 /nfs/dbraw/zinc/00/72/52/250007252.db2.gz WJNAEDZCINVZAH-GDBMZVCRSA-N 2 1 361.490 0.797 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857680 250007256 /nfs/dbraw/zinc/00/72/56/250007256.db2.gz WJNAEDZCINVZAH-GDBMZVCRSA-N 2 1 361.490 0.797 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000469995003 250019600 /nfs/dbraw/zinc/01/96/00/250019600.db2.gz ZEHBERWCOTWPJX-CYBMUJFWSA-N 2 1 353.492 0.267 20 0 FCADMP O=C([C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470022397 250021465 /nfs/dbraw/zinc/02/14/65/250021465.db2.gz LGDYGUVZEYWCQX-INIZCTEOSA-N 2 1 354.458 0.911 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470022397 250021467 /nfs/dbraw/zinc/02/14/67/250021467.db2.gz LGDYGUVZEYWCQX-INIZCTEOSA-N 2 1 354.458 0.911 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000470843414 250067436 /nfs/dbraw/zinc/06/74/36/250067436.db2.gz DOTYGVWUHHDDIN-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000471213190 250092673 /nfs/dbraw/zinc/09/26/73/250092673.db2.gz PBLUOQIHHZMZPE-UHFFFAOYSA-N 3 1 353.555 0.545 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000471213190 250092677 /nfs/dbraw/zinc/09/26/77/250092677.db2.gz PBLUOQIHHZMZPE-UHFFFAOYSA-N 3 1 353.555 0.545 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000471636642 250112531 /nfs/dbraw/zinc/11/25/31/250112531.db2.gz SBTXPKQKURBZMP-UHFFFAOYSA-N 2 1 364.490 0.896 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000471650804 250114209 /nfs/dbraw/zinc/11/42/09/250114209.db2.gz WYJQXIAMKMZPPQ-QZTJIDSGSA-N 2 1 364.490 0.499 20 0 FCADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854660 250120133 /nfs/dbraw/zinc/12/01/33/250120133.db2.gz CABOBIJAFPWMAK-ROUUACIJSA-N 2 1 358.486 0.617 20 0 FCADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854660 250120136 /nfs/dbraw/zinc/12/01/36/250120136.db2.gz CABOBIJAFPWMAK-ROUUACIJSA-N 2 1 358.486 0.617 20 0 FCADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854658 250120426 /nfs/dbraw/zinc/12/04/26/250120426.db2.gz CABOBIJAFPWMAK-MSOLQXFVSA-N 2 1 358.486 0.617 20 0 FCADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000471854658 250120430 /nfs/dbraw/zinc/12/04/30/250120430.db2.gz CABOBIJAFPWMAK-MSOLQXFVSA-N 2 1 358.486 0.617 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000472278276 250143171 /nfs/dbraw/zinc/14/31/71/250143171.db2.gz NZMDGJBDBIRIAN-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000472285656 250143223 /nfs/dbraw/zinc/14/32/23/250143223.db2.gz XWJLOWDPZGUZMR-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000472285656 250143229 /nfs/dbraw/zinc/14/32/29/250143229.db2.gz XWJLOWDPZGUZMR-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275864 250143813 /nfs/dbraw/zinc/14/38/13/250143813.db2.gz KDAPLHUOLAJDAJ-ZWKOTPCHSA-N 2 1 354.539 0.972 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932479 250257327 /nfs/dbraw/zinc/25/73/27/250257327.db2.gz MHLWINCUBQMRAL-CABCVRRESA-N 2 1 351.499 0.934 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481700372 250350332 /nfs/dbraw/zinc/35/03/32/250350332.db2.gz ZBFNMTFLAHBVRB-AEFFLSMTSA-N 2 1 371.595 0.997 20 0 FCADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1OC ZINC000269678608 211042515 /nfs/dbraw/zinc/04/25/15/211042515.db2.gz HTHOPESWGWFZAH-CQSZACIVSA-N 2 1 366.462 0.235 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413150821 532994546 /nfs/dbraw/zinc/99/45/46/532994546.db2.gz VWBOPAUUJSQZPG-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413160520 532997706 /nfs/dbraw/zinc/99/77/06/532997706.db2.gz CYFLJEXNUVSKJB-ARFHVFGLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413160520 532997709 /nfs/dbraw/zinc/99/77/09/532997709.db2.gz CYFLJEXNUVSKJB-ARFHVFGLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC[NH+](C)C1 ZINC000413160520 532997715 /nfs/dbraw/zinc/99/77/15/532997715.db2.gz CYFLJEXNUVSKJB-ARFHVFGLSA-N 2 1 354.495 0.853 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000105315092 208198543 /nfs/dbraw/zinc/19/85/43/208198543.db2.gz LYSSRJGZJFQLJL-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000105315092 208198553 /nfs/dbraw/zinc/19/85/53/208198553.db2.gz LYSSRJGZJFQLJL-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)C1CC1 ZINC000105322914 208199388 /nfs/dbraw/zinc/19/93/88/208199388.db2.gz MUYDZHVZYSKZOX-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000105322914 208199395 /nfs/dbraw/zinc/19/93/95/208199395.db2.gz MUYDZHVZYSKZOX-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000105322914 208199401 /nfs/dbraw/zinc/19/94/01/208199401.db2.gz MUYDZHVZYSKZOX-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC000118494840 208350763 /nfs/dbraw/zinc/35/07/63/208350763.db2.gz OUHBDUSMRZCRFJ-GASCZTMLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@H+](C)C3)n2)C1 ZINC000118494840 208350766 /nfs/dbraw/zinc/35/07/66/208350766.db2.gz OUHBDUSMRZCRFJ-GASCZTMLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC000118494840 208350769 /nfs/dbraw/zinc/35/07/69/208350769.db2.gz OUHBDUSMRZCRFJ-GASCZTMLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cncc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000118494398 208351113 /nfs/dbraw/zinc/35/11/13/208351113.db2.gz PWNNJJBSSXZDGQ-GASCZTMLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cncc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000118494398 208351115 /nfs/dbraw/zinc/35/11/15/208351115.db2.gz PWNNJJBSSXZDGQ-GASCZTMLSA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2cncc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000118494398 208351117 /nfs/dbraw/zinc/35/11/17/208351117.db2.gz PWNNJJBSSXZDGQ-GASCZTMLSA-N 2 1 359.474 0.445 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655346 208387556 /nfs/dbraw/zinc/38/75/56/208387556.db2.gz JKMLIPWPCQDMGT-MRXNPFEDSA-N 2 1 360.506 0.958 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2CCN(C)CC2)cc1)[NH+]1CCOCC1 ZINC000120780797 208390209 /nfs/dbraw/zinc/39/02/09/208390209.db2.gz FOJVDCCEYOBCKR-OAHLLOKOSA-N 2 1 360.458 0.792 20 0 FCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C2)CC1 ZINC000931878225 674149957 /nfs/dbraw/zinc/14/99/57/674149957.db2.gz BVHYBPAVSIWQRG-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C2)CC1 ZINC000931878225 674149959 /nfs/dbraw/zinc/14/99/59/674149959.db2.gz BVHYBPAVSIWQRG-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP O=S(=O)(Cc1ccon1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266179346 210298774 /nfs/dbraw/zinc/29/87/74/210298774.db2.gz OVVOENCHDNIRJA-UHFFFAOYSA-N 2 1 365.459 0.701 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000931887792 674151167 /nfs/dbraw/zinc/15/11/67/674151167.db2.gz WSUXIQYQCKIOSM-CYBMUJFWSA-N 2 1 364.412 0.682 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000177048995 209014235 /nfs/dbraw/zinc/01/42/35/209014235.db2.gz CZISCTBVTNDPQT-MRXNPFEDSA-N 2 1 364.465 0.784 20 0 FCADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000177497797 209025712 /nfs/dbraw/zinc/02/57/12/209025712.db2.gz IDARPPQYRYXQJZ-IYBDPMFKSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000177497797 209025716 /nfs/dbraw/zinc/02/57/16/209025716.db2.gz IDARPPQYRYXQJZ-IYBDPMFKSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+](C)C1 ZINC000413138646 533478094 /nfs/dbraw/zinc/47/80/94/533478094.db2.gz DALCTKZMXVZROR-AWEZNQCLSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+](C)C1 ZINC000413511820 533480784 /nfs/dbraw/zinc/48/07/84/533480784.db2.gz XEDGAEWXNNXKKE-GJZGRUSLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511820 533480789 /nfs/dbraw/zinc/48/07/89/533480789.db2.gz XEDGAEWXNNXKKE-GJZGRUSLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+](C)C1 ZINC000413511820 533480793 /nfs/dbraw/zinc/48/07/93/533480793.db2.gz XEDGAEWXNNXKKE-GJZGRUSLSA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413298997 533482150 /nfs/dbraw/zinc/48/21/50/533482150.db2.gz LCBBVHOMUNYMDJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298997 533482153 /nfs/dbraw/zinc/48/21/53/533482153.db2.gz LCBBVHOMUNYMDJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298997 533482160 /nfs/dbraw/zinc/48/21/60/533482160.db2.gz LCBBVHOMUNYMDJ-LSDHHAIUSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)CN1CC[NH+](C)CC1 ZINC000173919710 229210426 /nfs/dbraw/zinc/21/04/26/229210426.db2.gz UKDGFFRPJLNPGH-OAHLLOKOSA-N 2 1 351.499 0.450 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410441114 230081090 /nfs/dbraw/zinc/08/10/90/230081090.db2.gz XZYIXYOZFAHOFP-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581476 230142116 /nfs/dbraw/zinc/14/21/16/230142116.db2.gz BHMGACLPANKJHJ-WBVHZDCISA-N 2 1 373.501 0.896 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581476 230142118 /nfs/dbraw/zinc/14/21/18/230142118.db2.gz BHMGACLPANKJHJ-WBVHZDCISA-N 2 1 373.501 0.896 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000410727765 230218842 /nfs/dbraw/zinc/21/88/42/230218842.db2.gz CDWAYWIDEPHVMP-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000932946667 674230125 /nfs/dbraw/zinc/23/01/25/674230125.db2.gz ILNIFSQKCNOYIW-KRWDZBQOSA-N 2 1 353.488 0.629 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000932946667 674230128 /nfs/dbraw/zinc/23/01/28/674230128.db2.gz ILNIFSQKCNOYIW-KRWDZBQOSA-N 2 1 353.488 0.629 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949886 674230830 /nfs/dbraw/zinc/23/08/30/674230830.db2.gz QARPYNWXVAQTHX-DLBZAZTESA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000932949886 674230831 /nfs/dbraw/zinc/23/08/31/674230831.db2.gz QARPYNWXVAQTHX-DLBZAZTESA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000932949886 674230833 /nfs/dbraw/zinc/23/08/33/674230833.db2.gz QARPYNWXVAQTHX-DLBZAZTESA-N 2 1 353.488 0.234 20 0 FCADMP NS(=O)(=O)C[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000932949886 674230834 /nfs/dbraw/zinc/23/08/34/674230834.db2.gz QARPYNWXVAQTHX-DLBZAZTESA-N 2 1 353.488 0.234 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000627827060 484102096 /nfs/dbraw/zinc/10/20/96/484102096.db2.gz PIJXQMSPWSJLRU-CQSZACIVSA-N 2 1 350.467 0.231 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278968279 488907619 /nfs/dbraw/zinc/90/76/19/488907619.db2.gz IQYDEIFLMKVBEI-XJKSGUPXSA-N 2 1 362.478 0.159 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000328438700 488921685 /nfs/dbraw/zinc/92/16/85/488921685.db2.gz XCWAHXRZBYTWAV-UPJWGTAASA-N 2 1 364.412 0.634 20 0 FCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000328438700 488921689 /nfs/dbraw/zinc/92/16/89/488921689.db2.gz XCWAHXRZBYTWAV-UPJWGTAASA-N 2 1 364.412 0.634 20 0 FCADMP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208914 488936237 /nfs/dbraw/zinc/93/62/37/488936237.db2.gz AQSCNXUGFKPLCB-ICSRJNTNSA-N 2 1 374.529 0.890 20 0 FCADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208914 488936241 /nfs/dbraw/zinc/93/62/41/488936241.db2.gz AQSCNXUGFKPLCB-ICSRJNTNSA-N 2 1 374.529 0.890 20 0 FCADMP CN(CCNC(=O)C(=O)N(C)Cc1nccn1C)Cc1ccc(F)cc1 ZINC000288205989 488956399 /nfs/dbraw/zinc/95/63/99/488956399.db2.gz OIYZYKUXEXWWGG-UHFFFAOYSA-N 2 1 361.421 0.766 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000028421870 487709424 /nfs/dbraw/zinc/70/94/24/487709424.db2.gz IGZMUAXWBANPQY-CQSZACIVSA-N 2 1 367.519 0.860 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000043859559 487905660 /nfs/dbraw/zinc/90/56/60/487905660.db2.gz RHKKPQBQJVQMSE-HNNXBMFYSA-N 2 1 353.511 0.761 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000043859559 487905666 /nfs/dbraw/zinc/90/56/66/487905666.db2.gz RHKKPQBQJVQMSE-HNNXBMFYSA-N 2 1 353.511 0.761 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000074098162 488387410 /nfs/dbraw/zinc/38/74/10/488387410.db2.gz CWKNAZKHOWNPDS-BRWVUGGUSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000074098162 488387411 /nfs/dbraw/zinc/38/74/11/488387411.db2.gz CWKNAZKHOWNPDS-BRWVUGGUSA-N 2 1 353.511 0.032 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000074098162 488387412 /nfs/dbraw/zinc/38/74/12/488387412.db2.gz CWKNAZKHOWNPDS-BRWVUGGUSA-N 2 1 353.511 0.032 20 0 FCADMP COC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814379 491194590 /nfs/dbraw/zinc/19/45/90/491194590.db2.gz KGIMMTFEZBCIMK-QFBILLFUSA-N 2 1 360.458 0.701 20 0 FCADMP COC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000569814379 491194594 /nfs/dbraw/zinc/19/45/94/491194594.db2.gz KGIMMTFEZBCIMK-QFBILLFUSA-N 2 1 360.458 0.701 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000074170985 488388836 /nfs/dbraw/zinc/38/88/36/488388836.db2.gz OHNICSBKGLRITQ-QGZVFWFLSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000074657066 488393526 /nfs/dbraw/zinc/39/35/26/488393526.db2.gz DCSAWJWIMCASFU-MSOLQXFVSA-N 2 1 369.554 0.622 20 0 FCADMP CC(C)[NH+](CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000074850432 488393966 /nfs/dbraw/zinc/39/39/66/488393966.db2.gz SARZXBCRADVVRY-UHFFFAOYSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877868 488394413 /nfs/dbraw/zinc/39/44/13/488394413.db2.gz JJFYCEVCCZMPAG-FUHWJXTLSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335639 491195182 /nfs/dbraw/zinc/19/51/82/491195182.db2.gz ZCZAQQJLLBQKSQ-MAUKXSAKSA-N 2 1 372.513 0.801 20 0 FCADMP C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737265 488402336 /nfs/dbraw/zinc/40/23/36/488402336.db2.gz SGYLLLNACNSLSM-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737265 488402338 /nfs/dbraw/zinc/40/23/38/488402338.db2.gz SGYLLLNACNSLSM-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000076333969 488403665 /nfs/dbraw/zinc/40/36/65/488403665.db2.gz WNMLLLWIMXTKPI-OAHLLOKOSA-N 2 1 360.458 0.918 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000187014865 488408458 /nfs/dbraw/zinc/40/84/58/488408458.db2.gz WZBHPTNNXQMJSJ-AEFFLSMTSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000187014865 488408461 /nfs/dbraw/zinc/40/84/61/488408461.db2.gz WZBHPTNNXQMJSJ-AEFFLSMTSA-N 2 1 368.522 0.404 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000190122789 488416295 /nfs/dbraw/zinc/41/62/95/488416295.db2.gz QVRNNLHNOBFTKC-UHFFFAOYSA-N 2 1 353.511 0.668 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000193421391 488427474 /nfs/dbraw/zinc/42/74/74/488427474.db2.gz FGAGTMGJXYGWNJ-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000193421391 488427477 /nfs/dbraw/zinc/42/74/77/488427477.db2.gz FGAGTMGJXYGWNJ-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000193421410 488427561 /nfs/dbraw/zinc/42/75/61/488427561.db2.gz FGAGTMGJXYGWNJ-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000193421410 488427565 /nfs/dbraw/zinc/42/75/65/488427565.db2.gz FGAGTMGJXYGWNJ-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000562865041 491197768 /nfs/dbraw/zinc/19/77/68/491197768.db2.gz BYXFXUKCFQMLAG-GOEBONIOSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000079598720 488430978 /nfs/dbraw/zinc/43/09/78/488430978.db2.gz CNEMXZZZCZHUEE-UHFFFAOYSA-N 2 1 353.511 0.524 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992909 488432938 /nfs/dbraw/zinc/43/29/38/488432938.db2.gz CORGMYCMGPABPO-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992909 488432940 /nfs/dbraw/zinc/43/29/40/488432940.db2.gz CORGMYCMGPABPO-INIZCTEOSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(C[C@H]1CSCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000238086316 488458617 /nfs/dbraw/zinc/45/86/17/488458617.db2.gz JSCOPGKJJHDRHC-HNNXBMFYSA-N 2 1 364.519 0.200 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000245457779 488464237 /nfs/dbraw/zinc/46/42/37/488464237.db2.gz JYWZSRXHSLXAPN-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccnc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000245457779 488464240 /nfs/dbraw/zinc/46/42/40/488464240.db2.gz JYWZSRXHSLXAPN-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccnc(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000245457779 488464242 /nfs/dbraw/zinc/46/42/42/488464242.db2.gz JYWZSRXHSLXAPN-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000245703260 488465444 /nfs/dbraw/zinc/46/54/44/488465444.db2.gz RHMPFQSEQHTPLP-QBPKDAKJSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269257701 488483215 /nfs/dbraw/zinc/48/32/15/488483215.db2.gz ULCSMGOFKNLXMS-SFHVURJKSA-N 2 1 359.474 0.496 20 0 FCADMP C[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247440373 488485475 /nfs/dbraw/zinc/48/54/75/488485475.db2.gz NISKTTNEYMIZOR-QLFBSQMISA-N 2 1 364.494 0.761 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000248397297 488495175 /nfs/dbraw/zinc/49/51/75/488495175.db2.gz HUVAVFHXYWOWGV-CABCVRRESA-N 2 1 350.463 0.549 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000248397297 488495176 /nfs/dbraw/zinc/49/51/76/488495176.db2.gz HUVAVFHXYWOWGV-CABCVRRESA-N 2 1 350.463 0.549 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H]1C ZINC000248367864 488495544 /nfs/dbraw/zinc/49/55/44/488495544.db2.gz UNXYBPPTEAJIIE-KGLIPLIRSA-N 2 1 357.462 0.742 20 0 FCADMP CC[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C[C@H](C)O ZINC000248451628 488496505 /nfs/dbraw/zinc/49/65/05/488496505.db2.gz GAVHVFAGECJJLR-RDJZCZTQSA-N 2 1 364.490 0.939 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000248684382 488501387 /nfs/dbraw/zinc/50/13/87/488501387.db2.gz YKQUYBNZJKFEHF-CABCVRRESA-N 2 1 362.540 0.141 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000248684382 488501389 /nfs/dbraw/zinc/50/13/89/488501389.db2.gz YKQUYBNZJKFEHF-CABCVRRESA-N 2 1 362.540 0.141 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000104800584 488506009 /nfs/dbraw/zinc/50/60/09/488506009.db2.gz LIAPRKIAIVDUGS-MRXNPFEDSA-N 2 1 353.511 0.557 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000249501076 488510371 /nfs/dbraw/zinc/51/03/71/488510371.db2.gz XFLMYZKEZKBYEZ-BBWFWOEESA-N 2 1 368.522 0.437 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000249501076 488510372 /nfs/dbraw/zinc/51/03/72/488510372.db2.gz XFLMYZKEZKBYEZ-BBWFWOEESA-N 2 1 368.522 0.437 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000249481732 488510541 /nfs/dbraw/zinc/51/05/41/488510541.db2.gz WZBHPTNNXQMJSJ-WMZOPIPTSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000249481732 488510543 /nfs/dbraw/zinc/51/05/43/488510543.db2.gz WZBHPTNNXQMJSJ-WMZOPIPTSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378449 488539966 /nfs/dbraw/zinc/53/99/66/488539966.db2.gz XFJMXOUJZOXRCP-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000261892227 488540606 /nfs/dbraw/zinc/54/06/06/488540606.db2.gz CGPIAXZPKWDKGB-ROUUACIJSA-N 2 1 364.534 0.630 20 0 FCADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000261965156 488544055 /nfs/dbraw/zinc/54/40/55/488544055.db2.gz AVHOBVMKXCXNKI-UHFFFAOYSA-N 2 1 368.503 0.902 20 0 FCADMP C[N@@H+](CCCO)C1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000115548996 488544884 /nfs/dbraw/zinc/54/48/84/488544884.db2.gz PVCHVEWATBHQSL-UHFFFAOYSA-N 2 1 362.474 0.893 20 0 FCADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000115548996 488544886 /nfs/dbraw/zinc/54/48/86/488544886.db2.gz PVCHVEWATBHQSL-UHFFFAOYSA-N 2 1 362.474 0.893 20 0 FCADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000115548996 488544887 /nfs/dbraw/zinc/54/48/87/488544887.db2.gz PVCHVEWATBHQSL-UHFFFAOYSA-N 2 1 362.474 0.893 20 0 FCADMP O=C(CCC1CCCC1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262146609 488553624 /nfs/dbraw/zinc/55/36/24/488553624.db2.gz OXPLCQQGBVLKGQ-UHFFFAOYSA-N 2 1 350.507 0.923 20 0 FCADMP C[NH+]1CCN(c2cc(CNC(=O)NCC3=CC[N@@H+](C)CC3)ccn2)CC1 ZINC000272064281 488561067 /nfs/dbraw/zinc/56/10/67/488561067.db2.gz IKMQXDQSOUGUOS-UHFFFAOYSA-N 2 1 358.490 0.895 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000121605267 488569707 /nfs/dbraw/zinc/56/97/07/488569707.db2.gz UFDBZJJVDJMWKG-UHFFFAOYSA-N 2 1 365.478 0.375 20 0 FCADMP C[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@H](C)[NH3+] ZINC000262516859 488574563 /nfs/dbraw/zinc/57/45/63/488574563.db2.gz GUOBEGFNNKPCIK-CABCVRRESA-N 2 1 362.474 0.947 20 0 FCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000272354858 488575320 /nfs/dbraw/zinc/57/53/20/488575320.db2.gz DNOINDDVQQVMAU-UHFFFAOYSA-N 2 1 366.491 0.974 20 0 FCADMP CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262766348 488592018 /nfs/dbraw/zinc/59/20/18/488592018.db2.gz HJOUQJLNRGGASW-KRWDZBQOSA-N 2 1 350.463 0.615 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000124624120 488594516 /nfs/dbraw/zinc/59/45/16/488594516.db2.gz WIXCUOBWGNBAQZ-HNNXBMFYSA-N 2 1 364.494 0.542 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000124924824 488596530 /nfs/dbraw/zinc/59/65/30/488596530.db2.gz GSEVVJJFERWREZ-QLFBSQMISA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000124924824 488596531 /nfs/dbraw/zinc/59/65/31/488596531.db2.gz GSEVVJJFERWREZ-QLFBSQMISA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[NH+]1C1CC1 ZINC000124924824 488596533 /nfs/dbraw/zinc/59/65/33/488596533.db2.gz GSEVVJJFERWREZ-QLFBSQMISA-N 2 1 351.495 0.498 20 0 FCADMP CN1CCN(C(=O)C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)CC1 ZINC000563066416 491212028 /nfs/dbraw/zinc/21/20/28/491212028.db2.gz OUWOYMUEXIBDGF-UHFFFAOYSA-N 2 1 369.506 0.973 20 0 FCADMP [NH3+]CCCCn1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000563064946 491212156 /nfs/dbraw/zinc/21/21/56/491212156.db2.gz RWADBLNXOULLGX-UHFFFAOYSA-N 2 1 372.473 0.779 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264293107 488661571 /nfs/dbraw/zinc/66/15/71/488661571.db2.gz HLNMEPJFMZPSJR-UHFFFAOYSA-N 2 1 351.451 0.500 20 0 FCADMP Cc1ccc(NCCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[nH+]c1 ZINC000264489388 488678894 /nfs/dbraw/zinc/67/88/94/488678894.db2.gz PFWWZJAWAYQDNC-HNNXBMFYSA-N 2 1 362.478 0.831 20 0 FCADMP Cc1ccc(NCCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[nH+]c1 ZINC000264489388 488678897 /nfs/dbraw/zinc/67/88/97/488678897.db2.gz PFWWZJAWAYQDNC-HNNXBMFYSA-N 2 1 362.478 0.831 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491016 488678961 /nfs/dbraw/zinc/67/89/61/488678961.db2.gz PNJZCTIYNRGHHI-RTBURBONSA-N 2 1 360.502 0.812 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264491016 488678964 /nfs/dbraw/zinc/67/89/64/488678964.db2.gz PNJZCTIYNRGHHI-RTBURBONSA-N 2 1 360.502 0.812 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000264522518 488681886 /nfs/dbraw/zinc/68/18/86/488681886.db2.gz WKHRUZKODMGMGE-IBGZPJMESA-N 2 1 360.502 0.885 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000139508083 488685222 /nfs/dbraw/zinc/68/52/22/488685222.db2.gz QBTAEVLKJOWVHB-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000139508083 488685225 /nfs/dbraw/zinc/68/52/25/488685225.db2.gz QBTAEVLKJOWVHB-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000152192401 488714452 /nfs/dbraw/zinc/71/44/52/488714452.db2.gz BMSQGQOUPDWSDY-OAHLLOKOSA-N 2 1 356.536 0.436 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563090877 491214797 /nfs/dbraw/zinc/21/47/97/491214797.db2.gz UUDZYDOMAJTPJK-OAHLLOKOSA-N 2 1 364.494 0.461 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2)CC1 ZINC000274534006 488717244 /nfs/dbraw/zinc/71/72/44/488717244.db2.gz QAOLGEWKVZDHDR-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000264833707 488717443 /nfs/dbraw/zinc/71/74/43/488717443.db2.gz JRYVBTUSYJZXKW-HNNXBMFYSA-N 2 1 362.478 0.168 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842954 488718377 /nfs/dbraw/zinc/71/83/77/488718377.db2.gz LJYGMUWIHYXKNG-SJORKVTESA-N 2 1 351.470 0.973 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000570077730 491215007 /nfs/dbraw/zinc/21/50/07/491215007.db2.gz OLCZKCVMAMXLNA-WNRNVDISSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153545936 488732677 /nfs/dbraw/zinc/73/26/77/488732677.db2.gz NILNPHQQKICGSD-AWEZNQCLSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153545936 488732678 /nfs/dbraw/zinc/73/26/78/488732678.db2.gz NILNPHQQKICGSD-AWEZNQCLSA-N 2 1 350.467 0.182 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154155 491222512 /nfs/dbraw/zinc/22/25/12/491222512.db2.gz PGGQQQYLWJZSFB-NSHDSACASA-N 2 1 366.384 0.452 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)C[NH+](C)C)CC2)cc1 ZINC000154292113 488740886 /nfs/dbraw/zinc/74/08/86/488740886.db2.gz XOGOWBASMUSCMW-INIZCTEOSA-N 2 1 355.504 0.660 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155615174 488757209 /nfs/dbraw/zinc/75/72/09/488757209.db2.gz OCOSNZYGVHHJTH-FUHWJXTLSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155615174 488757212 /nfs/dbraw/zinc/75/72/12/488757212.db2.gz OCOSNZYGVHHJTH-FUHWJXTLSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155615174 488757215 /nfs/dbraw/zinc/75/72/15/488757215.db2.gz OCOSNZYGVHHJTH-FUHWJXTLSA-N 2 1 352.523 0.630 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000156526763 488765889 /nfs/dbraw/zinc/76/58/89/488765889.db2.gz LRRSMCVDXCONGJ-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC([N@H+](C)CCO)CC2)C[C@@H](C)O1 ZINC000161581899 488797860 /nfs/dbraw/zinc/79/78/60/488797860.db2.gz XFPSAEBOZUCPCZ-HZPDHXFCSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC([N@@H+](C)CCO)CC2)C[C@@H](C)O1 ZINC000161581899 488797862 /nfs/dbraw/zinc/79/78/62/488797862.db2.gz XFPSAEBOZUCPCZ-HZPDHXFCSA-N 2 1 370.538 0.972 20 0 FCADMP COC1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000165842040 488811144 /nfs/dbraw/zinc/81/11/44/488811144.db2.gz SSXUDDWLFGOBMU-UHFFFAOYSA-N 2 1 360.458 0.781 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000167215869 488812025 /nfs/dbraw/zinc/81/20/25/488812025.db2.gz LQEUHAUVDJGJJP-MSOLQXFVSA-N 2 1 358.486 0.932 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])CCSC)CC2)CC1 ZINC000167815071 488812533 /nfs/dbraw/zinc/81/25/33/488812533.db2.gz FBRVMGGOWPKUON-INIZCTEOSA-N 2 1 370.563 0.860 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000171619817 488824774 /nfs/dbraw/zinc/82/47/74/488824774.db2.gz HPMBMIDEYMHWHI-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000171619817 488824776 /nfs/dbraw/zinc/82/47/76/488824776.db2.gz HPMBMIDEYMHWHI-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000563159367 491223885 /nfs/dbraw/zinc/22/38/85/491223885.db2.gz CYFZIGFJBOJDKM-KRWDZBQOSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199378 491224036 /nfs/dbraw/zinc/22/40/36/491224036.db2.gz NNNFHCXLODTVSA-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199378 491224037 /nfs/dbraw/zinc/22/40/37/491224037.db2.gz NNNFHCXLODTVSA-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199378 491224038 /nfs/dbraw/zinc/22/40/38/491224038.db2.gz NNNFHCXLODTVSA-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000174745519 488851018 /nfs/dbraw/zinc/85/10/18/488851018.db2.gz NCXXIFQGCFFSLC-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000174745519 488851019 /nfs/dbraw/zinc/85/10/19/488851019.db2.gz NCXXIFQGCFFSLC-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000174745519 488851020 /nfs/dbraw/zinc/85/10/20/488851020.db2.gz NCXXIFQGCFFSLC-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000179153752 488860803 /nfs/dbraw/zinc/86/08/03/488860803.db2.gz LFPULVBRWURRHJ-AWEZNQCLSA-N 2 1 372.491 0.415 20 0 FCADMP C[NH+](CCOCC[N@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180699836 488862382 /nfs/dbraw/zinc/86/23/82/488862382.db2.gz FIHYCQPUZDIMEV-UHFFFAOYSA-N 2 1 354.495 0.463 20 0 FCADMP C[N@@H+](CCCn1ccnc1)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000181098708 488862949 /nfs/dbraw/zinc/86/29/49/488862949.db2.gz KLXYKLJLYLVBGS-UHFFFAOYSA-N 2 1 357.462 0.734 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000181077429 488862962 /nfs/dbraw/zinc/86/29/62/488862962.db2.gz NZZWLGNGROCMAG-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000181077429 488862963 /nfs/dbraw/zinc/86/29/63/488862963.db2.gz NZZWLGNGROCMAG-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP Cc1nc2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CN(C)CCN1C ZINC000280507059 489014512 /nfs/dbraw/zinc/01/45/12/489014512.db2.gz LNXNSICMHQPWHO-GFCCVEGCSA-N 2 1 351.401 0.985 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570262312 491228068 /nfs/dbraw/zinc/22/80/68/491228068.db2.gz HVRUEJJSEDIMEK-HALDLXJZSA-N 2 1 373.457 0.422 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000289075125 489040024 /nfs/dbraw/zinc/04/00/24/489040024.db2.gz OBWXLJVAHHQMNW-HDEZJCGLSA-N 2 1 359.474 0.892 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183472 489047099 /nfs/dbraw/zinc/04/70/99/489047099.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365183472 489047103 /nfs/dbraw/zinc/04/71/03/489047103.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365183472 489047107 /nfs/dbraw/zinc/04/71/07/489047107.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365183472 489047111 /nfs/dbraw/zinc/04/71/11/489047111.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365183472 489047113 /nfs/dbraw/zinc/04/71/13/489047113.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289378510 489063113 /nfs/dbraw/zinc/06/31/13/489063113.db2.gz IWYCLFRZLIFOMW-OAHLLOKOSA-N 2 1 363.506 0.928 20 0 FCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000289596534 489080186 /nfs/dbraw/zinc/08/01/86/489080186.db2.gz WGZPKPUIWIOEGP-UHFFFAOYSA-N 2 1 372.513 0.961 20 0 FCADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000290021029 489109228 /nfs/dbraw/zinc/10/92/28/489109228.db2.gz CIHVCFPXZZQVTF-IRXDYDNUSA-N 2 1 360.506 0.739 20 0 FCADMP C[C@](O)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C[NH+]1CCOCC1 ZINC000570343789 491235327 /nfs/dbraw/zinc/23/53/27/491235327.db2.gz RAUSDXFDHFSPJM-AEFFLSMTSA-N 2 1 371.547 0.403 20 0 FCADMP CO[C@@H](C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000282269365 489150165 /nfs/dbraw/zinc/15/01/65/489150165.db2.gz ULDNTQPWSSKBBQ-HNNXBMFYSA-N 2 1 356.492 0.548 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000366400512 489177360 /nfs/dbraw/zinc/17/73/60/489177360.db2.gz RHUFUMYLLVJINX-IAGOWNOFSA-N 2 1 353.507 0.935 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000366400514 489177692 /nfs/dbraw/zinc/17/76/92/489177692.db2.gz RHUFUMYLLVJINX-SJORKVTESA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403882 489193294 /nfs/dbraw/zinc/19/32/94/489193294.db2.gz IVYJSXOPQNRGJO-VQTJNVASSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)CC1 ZINC000295403882 489193297 /nfs/dbraw/zinc/19/32/97/489193297.db2.gz IVYJSXOPQNRGJO-VQTJNVASSA-N 2 1 374.529 0.938 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000331380654 489204237 /nfs/dbraw/zinc/20/42/37/489204237.db2.gz JJDSXVHCGMZQFQ-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331445790 489212685 /nfs/dbraw/zinc/21/26/85/489212685.db2.gz CFYFAJOBPLMXAE-XQLPTFJDSA-N 2 1 352.479 0.158 20 0 FCADMP CC[N@@H+](CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)C ZINC000555134403 491239752 /nfs/dbraw/zinc/23/97/52/491239752.db2.gz GOFUPPJBTBHLHF-UHFFFAOYSA-N 2 1 369.535 1.160 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C[C@H](C)[N@H+]1C ZINC000332484581 489219303 /nfs/dbraw/zinc/21/93/03/489219303.db2.gz AOPWWPSVXKKCQX-YALNPMBYSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C[C@H](C)[N@@H+]1C ZINC000332484581 489219306 /nfs/dbraw/zinc/21/93/06/489219306.db2.gz AOPWWPSVXKKCQX-YALNPMBYSA-N 2 1 366.506 0.282 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCSC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000332768456 489227633 /nfs/dbraw/zinc/22/76/33/489227633.db2.gz JJALPJVLURXPOE-ZNMIVQPWSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CSCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000332768456 489227634 /nfs/dbraw/zinc/22/76/34/489227634.db2.gz JJALPJVLURXPOE-ZNMIVQPWSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CSCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000332768456 489227635 /nfs/dbraw/zinc/22/76/35/489227635.db2.gz JJALPJVLURXPOE-ZNMIVQPWSA-N 2 1 354.520 0.235 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000369469130 489241821 /nfs/dbraw/zinc/24/18/21/489241821.db2.gz QTOFOIAKIJAJSY-ZWKOTPCHSA-N 2 1 374.485 0.709 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297897015 489259542 /nfs/dbraw/zinc/25/95/42/489259542.db2.gz VYAPNIXEUZCGRB-LJQANCHMSA-N 2 1 361.490 0.984 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297897015 489259546 /nfs/dbraw/zinc/25/95/46/489259546.db2.gz VYAPNIXEUZCGRB-LJQANCHMSA-N 2 1 361.490 0.984 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000563404587 491242663 /nfs/dbraw/zinc/24/26/63/491242663.db2.gz YNBUSCLLHRWIHH-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283540523 489272257 /nfs/dbraw/zinc/27/22/57/489272257.db2.gz RSIUZZUDNFEEDV-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283540523 489272260 /nfs/dbraw/zinc/27/22/60/489272260.db2.gz RSIUZZUDNFEEDV-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283540523 489272266 /nfs/dbraw/zinc/27/22/66/489272266.db2.gz RSIUZZUDNFEEDV-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546520 489273214 /nfs/dbraw/zinc/27/32/14/489273214.db2.gz SCTADHGXFFCWQU-AYBZRNKSSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283546520 489273216 /nfs/dbraw/zinc/27/32/16/489273216.db2.gz SCTADHGXFFCWQU-AYBZRNKSSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283546520 489273220 /nfs/dbraw/zinc/27/32/20/489273220.db2.gz SCTADHGXFFCWQU-AYBZRNKSSA-N 2 1 370.497 0.976 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000285900237 489332124 /nfs/dbraw/zinc/33/21/24/489332124.db2.gz JRQYTFVGMJJWAC-UHFFFAOYSA-N 2 1 370.519 0.333 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000286000946 489344310 /nfs/dbraw/zinc/34/43/10/489344310.db2.gz UEDJMOVLDNCJPJ-CRAIPNDOSA-N 2 1 369.469 0.944 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286000946 489344313 /nfs/dbraw/zinc/34/43/13/489344313.db2.gz UEDJMOVLDNCJPJ-CRAIPNDOSA-N 2 1 369.469 0.944 20 0 FCADMP C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000298655982 489349811 /nfs/dbraw/zinc/34/98/11/489349811.db2.gz LPLOHRMPIUNORP-UHFFFAOYSA-N 2 1 361.494 0.336 20 0 FCADMP C[N@H+]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000298655982 489349813 /nfs/dbraw/zinc/34/98/13/489349813.db2.gz LPLOHRMPIUNORP-UHFFFAOYSA-N 2 1 361.494 0.336 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000286333189 489380520 /nfs/dbraw/zinc/38/05/20/489380520.db2.gz AREVDTUTSXSDBW-MRXNPFEDSA-N 2 1 364.490 0.970 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000563553053 491254627 /nfs/dbraw/zinc/25/46/27/491254627.db2.gz IXLWOSDTIAUUNP-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)n1C ZINC000286456291 489392667 /nfs/dbraw/zinc/39/26/67/489392667.db2.gz SJYFWPWHVRXNKG-UHFFFAOYSA-N 2 1 350.467 0.093 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)n1C ZINC000286456291 489392670 /nfs/dbraw/zinc/39/26/70/489392670.db2.gz SJYFWPWHVRXNKG-UHFFFAOYSA-N 2 1 350.467 0.093 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370727241 489393475 /nfs/dbraw/zinc/39/34/75/489393475.db2.gz UYGAOOYKLZPFQE-IXDOHACOSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370727241 489393478 /nfs/dbraw/zinc/39/34/78/489393478.db2.gz UYGAOOYKLZPFQE-IXDOHACOSA-N 2 1 363.506 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000299011781 489394524 /nfs/dbraw/zinc/39/45/24/489394524.db2.gz RWHLSIMRQJMHGB-OAHLLOKOSA-N 2 1 362.474 0.566 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000563532138 491253095 /nfs/dbraw/zinc/25/30/95/491253095.db2.gz IGSCQZKROVDQFS-PMPSAXMXSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000570632991 491254494 /nfs/dbraw/zinc/25/44/94/491254494.db2.gz RHWDLZYSSMDCHC-VQHPVUNQSA-N 2 1 374.551 0.394 20 0 FCADMP COC(=O)CNC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363184787 489435183 /nfs/dbraw/zinc/43/51/83/489435183.db2.gz HMPORJDCYUGABY-GASCZTMLSA-N 2 1 355.479 0.487 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000286966410 489447695 /nfs/dbraw/zinc/44/76/95/489447695.db2.gz DVQJNJMAUQNCNJ-INIZCTEOSA-N 2 1 364.490 0.835 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1C ZINC000287164240 489466585 /nfs/dbraw/zinc/46/65/85/489466585.db2.gz ZCHQYTRFASWRHK-UKRRQHHQSA-N 2 1 362.478 0.045 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1C ZINC000287164240 489466588 /nfs/dbraw/zinc/46/65/88/489466588.db2.gz ZCHQYTRFASWRHK-UKRRQHHQSA-N 2 1 362.478 0.045 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216268 489470443 /nfs/dbraw/zinc/47/04/43/489470443.db2.gz INXGQADERZJLOQ-VQTJNVASSA-N 2 1 372.513 0.736 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000287216268 489470445 /nfs/dbraw/zinc/47/04/45/489470445.db2.gz INXGQADERZJLOQ-VQTJNVASSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216268 489470446 /nfs/dbraw/zinc/47/04/46/489470446.db2.gz INXGQADERZJLOQ-VQTJNVASSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000287216268 489470448 /nfs/dbraw/zinc/47/04/48/489470448.db2.gz INXGQADERZJLOQ-VQTJNVASSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292439 489474567 /nfs/dbraw/zinc/47/45/67/489474567.db2.gz BXRKSPGPLIWWIW-ILXRZTDVSA-N 2 1 352.479 0.890 20 0 FCADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCSCC1 ZINC000371356416 489480212 /nfs/dbraw/zinc/48/02/12/489480212.db2.gz XLVUTNTVLCKBAX-BRWVUGGUSA-N 2 1 354.564 0.908 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000363578480 489480714 /nfs/dbraw/zinc/48/07/14/489480714.db2.gz OIJYJHJNEXQORU-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000371630541 489491323 /nfs/dbraw/zinc/49/13/23/489491323.db2.gz VDETVQMZIYFCOW-MOPGFXCFSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371630541 489491324 /nfs/dbraw/zinc/49/13/24/489491324.db2.gz VDETVQMZIYFCOW-MOPGFXCFSA-N 2 1 358.486 0.259 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371630541 489491325 /nfs/dbraw/zinc/49/13/25/489491325.db2.gz VDETVQMZIYFCOW-MOPGFXCFSA-N 2 1 358.486 0.259 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423113762 489494148 /nfs/dbraw/zinc/49/41/48/489494148.db2.gz LEUQWXHGESLPFD-CQSZACIVSA-N 2 1 350.488 0.242 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC3([NH+](C)C)CCOCC3)C2)CC1 ZINC000371676597 489496462 /nfs/dbraw/zinc/49/64/62/489496462.db2.gz ZCTFNBBIKYETTO-INIZCTEOSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000371676597 489496464 /nfs/dbraw/zinc/49/64/64/489496464.db2.gz ZCTFNBBIKYETTO-INIZCTEOSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423193349 489501612 /nfs/dbraw/zinc/50/16/12/489501612.db2.gz XFMKDPCQGCBLTM-VVLHAWIVSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423193349 489501616 /nfs/dbraw/zinc/50/16/16/489501616.db2.gz XFMKDPCQGCBLTM-VVLHAWIVSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563626886 491259354 /nfs/dbraw/zinc/25/93/54/491259354.db2.gz WYDLAPCSNZPAOX-YJBOKZPZSA-N 2 1 367.538 0.057 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000555616240 491259562 /nfs/dbraw/zinc/25/95/62/491259562.db2.gz POVCVPYIENMCRZ-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000555616240 491259563 /nfs/dbraw/zinc/25/95/63/491259563.db2.gz POVCVPYIENMCRZ-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000451763107 489522603 /nfs/dbraw/zinc/52/26/03/489522603.db2.gz RMPMWQABZHPLOT-ATZDWAIDSA-N 2 1 361.486 0.847 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000451763107 489522605 /nfs/dbraw/zinc/52/26/05/489522605.db2.gz RMPMWQABZHPLOT-ATZDWAIDSA-N 2 1 361.486 0.847 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000415454485 489522669 /nfs/dbraw/zinc/52/26/69/489522669.db2.gz OGSRBHFPNYQHHH-QGZVFWFLSA-N 2 1 360.458 0.353 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371911508 489525356 /nfs/dbraw/zinc/52/53/56/489525356.db2.gz MTTKHYJMGZNPPL-FGTMMUONSA-N 2 1 367.538 0.375 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415521239 489526653 /nfs/dbraw/zinc/52/66/53/489526653.db2.gz SUTRJSZQAZZCHM-UHFFFAOYSA-N 2 1 362.474 0.616 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000415542510 489527697 /nfs/dbraw/zinc/52/76/97/489527697.db2.gz AUFFGZQUUQYGDW-GJZGRUSLSA-N 2 1 362.474 0.912 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)ccc1Cl ZINC000415604779 489535599 /nfs/dbraw/zinc/53/55/99/489535599.db2.gz WEIFDHMXZLKTRF-CYBMUJFWSA-N 2 1 354.838 0.526 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000425873507 489536643 /nfs/dbraw/zinc/53/66/43/489536643.db2.gz QEQWOKYHBVHUQT-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000425873507 489536644 /nfs/dbraw/zinc/53/66/44/489536644.db2.gz QEQWOKYHBVHUQT-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000425873507 489536647 /nfs/dbraw/zinc/53/66/47/489536647.db2.gz QEQWOKYHBVHUQT-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000425875428 489537707 /nfs/dbraw/zinc/53/77/07/489537707.db2.gz ABTGBCYUGDZGPM-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000425875428 489537709 /nfs/dbraw/zinc/53/77/09/489537709.db2.gz ABTGBCYUGDZGPM-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748338 491261808 /nfs/dbraw/zinc/26/18/08/491261808.db2.gz AFFWPPHMCFCZBA-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000425909598 489548389 /nfs/dbraw/zinc/54/83/89/489548389.db2.gz PXYJHOUQBBRGFQ-HNNXBMFYSA-N 2 1 366.506 0.322 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000425909598 489548391 /nfs/dbraw/zinc/54/83/91/489548391.db2.gz PXYJHOUQBBRGFQ-HNNXBMFYSA-N 2 1 366.506 0.322 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)c2C1 ZINC000415858141 489560031 /nfs/dbraw/zinc/56/00/31/489560031.db2.gz IUQACOHAZUXVFF-HNNXBMFYSA-N 2 1 360.458 0.927 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)c2C1 ZINC000415858141 489560034 /nfs/dbraw/zinc/56/00/34/489560034.db2.gz IUQACOHAZUXVFF-HNNXBMFYSA-N 2 1 360.458 0.927 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004575 489567448 /nfs/dbraw/zinc/56/74/48/489567448.db2.gz IQPCKTFNZYZUPG-VXGBXAGGSA-N 2 1 367.416 0.508 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000555661922 491263390 /nfs/dbraw/zinc/26/33/90/491263390.db2.gz XEYFNPYKTKTTPY-INIZCTEOSA-N 2 1 370.538 0.525 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000555661922 491263393 /nfs/dbraw/zinc/26/33/93/491263393.db2.gz XEYFNPYKTKTTPY-INIZCTEOSA-N 2 1 370.538 0.525 20 0 FCADMP CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570818203 491266844 /nfs/dbraw/zinc/26/68/44/491266844.db2.gz OSASPPINGGPWLC-FUHWJXTLSA-N 2 1 372.473 0.646 20 0 FCADMP CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570818203 491266846 /nfs/dbraw/zinc/26/68/46/491266846.db2.gz OSASPPINGGPWLC-FUHWJXTLSA-N 2 1 372.473 0.646 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427778578 489620469 /nfs/dbraw/zinc/62/04/69/489620469.db2.gz JRXJTHXOCDTNGE-COYYTBTLSA-N 2 1 362.518 0.299 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427778578 489620473 /nfs/dbraw/zinc/62/04/73/489620473.db2.gz JRXJTHXOCDTNGE-COYYTBTLSA-N 2 1 362.518 0.299 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427778578 489620476 /nfs/dbraw/zinc/62/04/76/489620476.db2.gz JRXJTHXOCDTNGE-COYYTBTLSA-N 2 1 362.518 0.299 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000416817087 489630478 /nfs/dbraw/zinc/63/04/78/489630478.db2.gz PTYPMCYEZCALLL-KBPBESRZSA-N 2 1 351.451 0.379 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000563763579 491267619 /nfs/dbraw/zinc/26/76/19/491267619.db2.gz VNHLWMDANJDQNC-TZIWHRDSSA-N 2 1 373.497 0.850 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000563763579 491267621 /nfs/dbraw/zinc/26/76/21/491267621.db2.gz VNHLWMDANJDQNC-TZIWHRDSSA-N 2 1 373.497 0.850 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416941914 489635001 /nfs/dbraw/zinc/63/50/01/489635001.db2.gz COUSYYBOWIHTAN-INIZCTEOSA-N 2 1 361.494 0.382 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C[NH2+]1 ZINC000416953729 489636062 /nfs/dbraw/zinc/63/60/62/489636062.db2.gz PJQZDLMNQKWUKH-HZPDHXFCSA-N 2 1 361.494 0.381 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000416977770 489637351 /nfs/dbraw/zinc/63/73/51/489637351.db2.gz UJTVWPHVZOZIPU-OAHLLOKOSA-N 2 1 361.490 0.871 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000416981793 489637914 /nfs/dbraw/zinc/63/79/14/489637914.db2.gz DEHKBXVENYRQPG-UHFFFAOYSA-N 2 1 363.506 0.287 20 0 FCADMP C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045229 489639814 /nfs/dbraw/zinc/63/98/14/489639814.db2.gz QROQJFFVLQCXPZ-GOSISDBHSA-N 2 1 374.533 0.402 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417066287 489640669 /nfs/dbraw/zinc/64/06/69/489640669.db2.gz CGHORJDFUMAFBZ-IHRRRGAJSA-N 2 1 363.428 0.749 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417091715 489641294 /nfs/dbraw/zinc/64/12/94/489641294.db2.gz KMENVEJIOLQTIO-IAGOWNOFSA-N 2 1 356.511 0.883 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417140743 489643358 /nfs/dbraw/zinc/64/33/58/489643358.db2.gz QMKIJEYKWBLZQU-JYJNAYRXSA-N 2 1 351.495 0.642 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417238994 489645662 /nfs/dbraw/zinc/64/56/62/489645662.db2.gz NDLUBJDBLYNGSI-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+](CC)CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457434434 489646027 /nfs/dbraw/zinc/64/60/27/489646027.db2.gz NYRMTVJDIRIQGF-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417323623 489648869 /nfs/dbraw/zinc/64/88/69/489648869.db2.gz HAADHLVSWBRHOX-OAGGEKHMSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)N1CCOCC1 ZINC000457610543 489651925 /nfs/dbraw/zinc/65/19/25/489651925.db2.gz UTBOPSOEODDCNK-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457610543 489651930 /nfs/dbraw/zinc/65/19/30/489651930.db2.gz UTBOPSOEODDCNK-IAGOWNOFSA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417431710 489652565 /nfs/dbraw/zinc/65/25/65/489652565.db2.gz RNFYNGYOZHGHDG-HNNXBMFYSA-N 2 1 353.511 0.618 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000417460903 489654550 /nfs/dbraw/zinc/65/45/50/489654550.db2.gz RPUSEJVQECIKAM-MRXNPFEDSA-N 2 1 350.463 0.805 20 0 FCADMP CC[N@@H+](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000417467058 489655868 /nfs/dbraw/zinc/65/58/68/489655868.db2.gz VPNSIFUFETVQPD-CYBMUJFWSA-N 2 1 353.433 0.852 20 0 FCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428613000 489656954 /nfs/dbraw/zinc/65/69/54/489656954.db2.gz TXLCKLZPVROAAB-PBHICJAKSA-N 2 1 360.458 0.365 20 0 FCADMP C[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]1 ZINC000417542249 489657869 /nfs/dbraw/zinc/65/78/69/489657869.db2.gz DHAVVUVENRVNHS-MAUKXSAKSA-N 2 1 373.501 0.887 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620617 489660053 /nfs/dbraw/zinc/66/00/53/489660053.db2.gz DHSDBSQZVZSYFN-GOEBONIOSA-N 2 1 351.495 0.370 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000428704847 489661219 /nfs/dbraw/zinc/66/12/19/489661219.db2.gz ZZFZLUJQAPGYLF-UHFFFAOYSA-N 2 1 355.527 0.114 20 0 FCADMP CC[N@@H+]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000428704847 489661222 /nfs/dbraw/zinc/66/12/22/489661222.db2.gz ZZFZLUJQAPGYLF-UHFFFAOYSA-N 2 1 355.527 0.114 20 0 FCADMP CC[N@H+]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000428704847 489661223 /nfs/dbraw/zinc/66/12/23/489661223.db2.gz ZZFZLUJQAPGYLF-UHFFFAOYSA-N 2 1 355.527 0.114 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417744559 489664012 /nfs/dbraw/zinc/66/40/12/489664012.db2.gz NCWNAVQFZBRPMM-IAGOWNOFSA-N 2 1 360.506 0.986 20 0 FCADMP CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900774 489670198 /nfs/dbraw/zinc/67/01/98/489670198.db2.gz VGIUMZARRKUJJL-MSOLQXFVSA-N 2 1 364.490 0.629 20 0 FCADMP CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900774 489670200 /nfs/dbraw/zinc/67/02/00/489670200.db2.gz VGIUMZARRKUJJL-MSOLQXFVSA-N 2 1 364.490 0.629 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[N@H+]1C ZINC000418001084 489674710 /nfs/dbraw/zinc/67/47/10/489674710.db2.gz KHLSDOXAAXMHLU-TWMKSMIVSA-N 2 1 365.522 0.759 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC[C@H]21 ZINC000555756388 491270852 /nfs/dbraw/zinc/27/08/52/491270852.db2.gz FUTBXOIIYWJWLH-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433294 489682604 /nfs/dbraw/zinc/68/26/04/489682604.db2.gz IYGBASUTYMPXNW-SJORKVTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433294 489682606 /nfs/dbraw/zinc/68/26/06/489682606.db2.gz IYGBASUTYMPXNW-SJORKVTESA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433294 489682608 /nfs/dbraw/zinc/68/26/08/489682608.db2.gz IYGBASUTYMPXNW-SJORKVTESA-N 2 1 351.539 0.996 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418179053 489682822 /nfs/dbraw/zinc/68/28/22/489682822.db2.gz GAXNDKCPOWZINN-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458437155 489683316 /nfs/dbraw/zinc/68/33/16/489683316.db2.gz RVJKLZFWOXYEKV-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429446085 489687414 /nfs/dbraw/zinc/68/74/14/489687414.db2.gz GMRVDUBFAGJAMK-HOTGVXAUSA-N 2 1 364.556 0.545 20 0 FCADMP C[C@@H]1[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)CCC[N@H+]1C ZINC000458668697 489693779 /nfs/dbraw/zinc/69/37/79/489693779.db2.gz VWVRQPPDABLNLM-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC[N@@H+]1C ZINC000458668697 489693781 /nfs/dbraw/zinc/69/37/81/489693781.db2.gz VWVRQPPDABLNLM-HZPDHXFCSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000429682566 489696208 /nfs/dbraw/zinc/69/62/08/489696208.db2.gz ZBDPPUWRUFHLBJ-KDURUIRLSA-N 2 1 365.566 0.641 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418483391 489701802 /nfs/dbraw/zinc/70/18/02/489701802.db2.gz CDDCJSZXIWYGKP-ROUUACIJSA-N 2 1 364.490 0.405 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418511844 489703047 /nfs/dbraw/zinc/70/30/47/489703047.db2.gz SBPKJSUMQUTOII-SFHVURJKSA-N 2 1 350.463 0.159 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418628765 489712420 /nfs/dbraw/zinc/71/24/20/489712420.db2.gz CRMRAQVLDLZQOD-IAGOWNOFSA-N 2 1 359.474 0.512 20 0 FCADMP COC[C@@]1(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418650805 489715177 /nfs/dbraw/zinc/71/51/77/489715177.db2.gz GREGTLJQCPMQPI-SFHVURJKSA-N 2 1 355.527 0.470 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418760966 489723508 /nfs/dbraw/zinc/72/35/08/489723508.db2.gz FPZWVYDVFBRJHI-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774522 489726135 /nfs/dbraw/zinc/72/61/35/489726135.db2.gz YWRMCMPOHMNNGB-RBUKOAKNSA-N 2 1 374.533 0.981 20 0 FCADMP C[C@@H]1NC(=O)N(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000459353224 489729394 /nfs/dbraw/zinc/72/93/94/489729394.db2.gz RENAUIQRGSGMLW-KRWDZBQOSA-N 2 1 373.501 0.676 20 0 FCADMP C[C@@H]1NC(=O)N(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000459353224 489729398 /nfs/dbraw/zinc/72/93/98/489729398.db2.gz RENAUIQRGSGMLW-KRWDZBQOSA-N 2 1 373.501 0.676 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418812710 489734713 /nfs/dbraw/zinc/73/47/13/489734713.db2.gz IWBUARMBKPWCLP-PBHICJAKSA-N 2 1 361.490 0.934 20 0 FCADMP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485759 489734726 /nfs/dbraw/zinc/73/47/26/489734726.db2.gz UADYTACUYIVBKU-OKZBNKHCSA-N 2 1 354.539 0.874 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418819182 489737175 /nfs/dbraw/zinc/73/71/75/489737175.db2.gz ODIZFWDGWPEVMS-UZLBHIALSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822201 489738997 /nfs/dbraw/zinc/73/89/97/489738997.db2.gz ARYJBFUCGYRLBN-CVEARBPZSA-N 2 1 366.506 0.333 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822088 489739030 /nfs/dbraw/zinc/73/90/30/489739030.db2.gz ABDAFFPNWSXRFW-MRXNPFEDSA-N 2 1 366.506 0.348 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000418825631 489741414 /nfs/dbraw/zinc/74/14/14/489741414.db2.gz AJZTWJOUHOZGIS-GOEBONIOSA-N 2 1 362.474 0.754 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000418830233 489743161 /nfs/dbraw/zinc/74/31/61/489743161.db2.gz FPUICZMZZKENNN-IMJJTQAJSA-N 2 1 362.474 0.528 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000473918188 489744157 /nfs/dbraw/zinc/74/41/57/489744157.db2.gz JKGHUPYWCLLAHN-UHFFFAOYSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548606 489745064 /nfs/dbraw/zinc/74/50/64/489745064.db2.gz MFNVESJWFXRBTN-ZFWWWQNUSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548606 489745067 /nfs/dbraw/zinc/74/50/67/489745067.db2.gz MFNVESJWFXRBTN-ZFWWWQNUSA-N 2 1 368.503 0.052 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000430550664 489745987 /nfs/dbraw/zinc/74/59/87/489745987.db2.gz ZJJOKOWAKCBRRC-UHFFFAOYSA-N 2 1 368.503 0.902 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccco1 ZINC000418835874 489746732 /nfs/dbraw/zinc/74/67/32/489746732.db2.gz QDHACQREDWHVAB-MRXNPFEDSA-N 2 1 362.474 0.989 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600338 489750623 /nfs/dbraw/zinc/75/06/23/489750623.db2.gz HNOBMPAZSJFCID-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430600337 489751003 /nfs/dbraw/zinc/75/10/03/489751003.db2.gz HNOBMPAZSJFCID-HOTGVXAUSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccco1 ZINC000418841536 489751364 /nfs/dbraw/zinc/75/13/64/489751364.db2.gz ZDVATGRYLJYIMM-OAHLLOKOSA-N 2 1 362.474 0.991 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605940 489751698 /nfs/dbraw/zinc/75/16/98/489751698.db2.gz TWYSFAQDISJFMR-MJBXVCDLSA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605940 489751702 /nfs/dbraw/zinc/75/17/02/489751702.db2.gz TWYSFAQDISJFMR-MJBXVCDLSA-N 2 1 368.503 0.570 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430609993 489752562 /nfs/dbraw/zinc/75/25/62/489752562.db2.gz JGNDXZMZRNZCTL-WMZOPIPTSA-N 2 1 358.486 0.967 20 0 FCADMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430611075 489753553 /nfs/dbraw/zinc/75/35/53/489753553.db2.gz MYLPOUKDSXMXHH-GOSISDBHSA-N 2 1 358.486 0.755 20 0 FCADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610855 489753633 /nfs/dbraw/zinc/75/36/33/489753633.db2.gz LUJKAMWPKPFKAU-INIZCTEOSA-N 2 1 362.474 0.141 20 0 FCADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613946 489753907 /nfs/dbraw/zinc/75/39/07/489753907.db2.gz XVJGQXQBSNYIBY-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ccccc21 ZINC000430621243 489756448 /nfs/dbraw/zinc/75/64/48/489756448.db2.gz CMWXMZDLYZPNBV-KRWDZBQOSA-N 2 1 356.470 0.720 20 0 FCADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622549 489756505 /nfs/dbraw/zinc/75/65/05/489756505.db2.gz FQWHGMYWSHLKCS-KGLIPLIRSA-N 2 1 373.457 0.147 20 0 FCADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430622549 489756507 /nfs/dbraw/zinc/75/65/07/489756507.db2.gz FQWHGMYWSHLKCS-KGLIPLIRSA-N 2 1 373.457 0.147 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000418851086 489756853 /nfs/dbraw/zinc/75/68/53/489756853.db2.gz PEEGRENIPVUHFS-HOCLYGCPSA-N 2 1 362.474 0.530 20 0 FCADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630978 489757182 /nfs/dbraw/zinc/75/71/82/489757182.db2.gz SJRNXJLCYJOLLA-KRWDZBQOSA-N 2 1 374.485 0.455 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430629259 489757508 /nfs/dbraw/zinc/75/75/08/489757508.db2.gz PQTPHRHPDMUGNA-ZDUSSCGKSA-N 2 1 350.438 0.790 20 0 FCADMP CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000430631869 489758578 /nfs/dbraw/zinc/75/85/78/489758578.db2.gz VUUHMPOFHXXYFR-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632625 489758779 /nfs/dbraw/zinc/75/87/79/489758779.db2.gz YEHPZHSWYWTDQP-KBPBESRZSA-N 2 1 367.494 0.320 20 0 FCADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633295 489759239 /nfs/dbraw/zinc/75/92/39/489759239.db2.gz ZQSWMUYSYFWUPH-IKGGRYGDSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642070 489760231 /nfs/dbraw/zinc/76/02/31/489760231.db2.gz UPCSMQVGOUPZIQ-OLZOCXBDSA-N 2 1 362.430 0.529 20 0 FCADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000430638077 489760259 /nfs/dbraw/zinc/76/02/59/489760259.db2.gz CBXSOOQWGNFFSN-NVXWUHKLSA-N 2 1 374.489 0.059 20 0 FCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637669 489760795 /nfs/dbraw/zinc/76/07/95/489760795.db2.gz BKYAADPERPVDMT-MRXNPFEDSA-N 2 1 362.474 0.441 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418861101 489762211 /nfs/dbraw/zinc/76/22/11/489762211.db2.gz MLZNVINPUHJKBU-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647425 489762360 /nfs/dbraw/zinc/76/23/60/489762360.db2.gz XWGGGBSZWIIPES-CHWSQXEVSA-N 2 1 362.396 0.293 20 0 FCADMP O=C([C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)N1CC[NH2+]CC1 ZINC000430647425 489762364 /nfs/dbraw/zinc/76/23/64/489762364.db2.gz XWGGGBSZWIIPES-CHWSQXEVSA-N 2 1 362.396 0.293 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418862340 489763918 /nfs/dbraw/zinc/76/39/18/489763918.db2.gz ODBFDUXFRGZVRL-SQNIBIBYSA-N 2 1 356.470 0.730 20 0 FCADMP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671294 489764864 /nfs/dbraw/zinc/76/48/64/489764864.db2.gz XKMPKCKEEWVABR-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671063 489764876 /nfs/dbraw/zinc/76/48/76/489764876.db2.gz XBQDUXGDXDGGIB-CABCVRRESA-N 2 1 367.494 0.001 20 0 FCADMP C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671292 489764929 /nfs/dbraw/zinc/76/49/29/489764929.db2.gz XKMPKCKEEWVABR-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000418875040 489769485 /nfs/dbraw/zinc/76/94/85/489769485.db2.gz CLGOKYFARRKBAG-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418876037 489770224 /nfs/dbraw/zinc/77/02/24/489770224.db2.gz FRQJNRWWDZVTHZ-MSOLQXFVSA-N 2 1 374.485 0.944 20 0 FCADMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418876037 489770228 /nfs/dbraw/zinc/77/02/28/489770228.db2.gz FRQJNRWWDZVTHZ-MSOLQXFVSA-N 2 1 374.485 0.944 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000459856799 489770661 /nfs/dbraw/zinc/77/06/61/489770661.db2.gz BDZQWLOKUXKOQZ-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000459858921 489771841 /nfs/dbraw/zinc/77/18/41/489771841.db2.gz FHEHEEJFMHFFSM-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000459858921 489771842 /nfs/dbraw/zinc/77/18/42/489771842.db2.gz FHEHEEJFMHFFSM-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418881706 489773578 /nfs/dbraw/zinc/77/35/78/489773578.db2.gz RNLUPBUESNESPF-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000459868597 489774521 /nfs/dbraw/zinc/77/45/21/489774521.db2.gz AZNKULZDUCKRFF-FGTMMUONSA-N 2 1 356.470 0.664 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000430873720 489774724 /nfs/dbraw/zinc/77/47/24/489774724.db2.gz WJBBEGXORUXRLI-GOSISDBHSA-N 2 1 360.458 0.462 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430894028 489775185 /nfs/dbraw/zinc/77/51/85/489775185.db2.gz JBJDZFLQGGHDQA-HNNXBMFYSA-N 2 1 350.467 0.352 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000430893196 489775541 /nfs/dbraw/zinc/77/55/41/489775541.db2.gz DTOMLLUHQYCNTC-QGZVFWFLSA-N 2 1 351.447 0.248 20 0 FCADMP C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947524 489781259 /nfs/dbraw/zinc/78/12/59/489781259.db2.gz BKRUBFFMUHYZTF-VQIMIIECSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947524 489781267 /nfs/dbraw/zinc/78/12/67/489781267.db2.gz BKRUBFFMUHYZTF-VQIMIIECSA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947521 489781311 /nfs/dbraw/zinc/78/13/11/489781311.db2.gz BKRUBFFMUHYZTF-APWZRJJASA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947521 489781315 /nfs/dbraw/zinc/78/13/15/489781315.db2.gz BKRUBFFMUHYZTF-APWZRJJASA-N 2 1 360.502 0.804 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430964981 489782454 /nfs/dbraw/zinc/78/24/54/489782454.db2.gz HDCVCXDLSSNHPD-GFCCVEGCSA-N 2 1 354.476 0.640 20 0 FCADMP O=C(COC1C[NH2+]C1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000431003009 489784270 /nfs/dbraw/zinc/78/42/70/489784270.db2.gz FMODJVBMRSAIMW-UHFFFAOYSA-N 2 1 352.866 0.567 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)COC3C[NH2+]C3)cc2)CC1 ZINC000431007375 489784467 /nfs/dbraw/zinc/78/44/67/489784467.db2.gz UMJXFVHTBAKLAV-UHFFFAOYSA-N 2 1 360.458 0.320 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COC1C[NH2+]C1 ZINC000431025669 489785342 /nfs/dbraw/zinc/78/53/42/489785342.db2.gz UFXFJDUIMVEORW-UHFFFAOYSA-N 3 1 352.523 0.630 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000459905873 489786383 /nfs/dbraw/zinc/78/63/83/489786383.db2.gz NZLHTUSLHXLZPW-UHFFFAOYSA-N 2 1 369.554 0.129 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459908582 489787206 /nfs/dbraw/zinc/78/72/06/489787206.db2.gz QPIISSOCBNGGGE-DLBZAZTESA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000418927431 489792829 /nfs/dbraw/zinc/79/28/29/489792829.db2.gz SVPDNTAHTBBFTH-ZBFHGGJFSA-N 2 1 354.495 0.045 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000491036978 489793292 /nfs/dbraw/zinc/79/32/92/489793292.db2.gz ZNHAQIIMLHOBGO-UHFFFAOYSA-N 2 1 371.551 0.277 20 0 FCADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000491073334 489793989 /nfs/dbraw/zinc/79/39/89/489793989.db2.gz DCMJHFRMODBFLP-GOSISDBHSA-N 2 1 352.523 0.726 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000459923722 489795138 /nfs/dbraw/zinc/79/51/38/489795138.db2.gz UCVBJVOQOZSLDS-QGZVFWFLSA-N 2 1 366.506 0.111 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000459922696 489795366 /nfs/dbraw/zinc/79/53/66/489795366.db2.gz RHABKPQOQLHVRR-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000418933349 489795522 /nfs/dbraw/zinc/79/55/22/489795522.db2.gz ZTNRSLHKACNFRX-HOTGVXAUSA-N 2 1 356.511 0.291 20 0 FCADMP CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418940897 489797114 /nfs/dbraw/zinc/79/71/14/489797114.db2.gz JTCCEWKCOQFZCB-IRXDYDNUSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000418949855 489801923 /nfs/dbraw/zinc/80/19/23/489801923.db2.gz QALQCYABQCSLKW-JQHSSLGASA-N 2 1 358.486 0.976 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000563966176 491280142 /nfs/dbraw/zinc/28/01/42/491280142.db2.gz CTYLEIWRLUKXQX-IBGZPJMESA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000563966176 491280145 /nfs/dbraw/zinc/28/01/45/491280145.db2.gz CTYLEIWRLUKXQX-IBGZPJMESA-N 2 1 372.513 0.959 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459994380 489812382 /nfs/dbraw/zinc/81/23/82/489812382.db2.gz VEYYBZUDESOZAU-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459994380 489812386 /nfs/dbraw/zinc/81/23/86/489812386.db2.gz VEYYBZUDESOZAU-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459997729 489812936 /nfs/dbraw/zinc/81/29/36/489812936.db2.gz TYBAVOJXWTXQLF-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023856 489821861 /nfs/dbraw/zinc/82/18/61/489821861.db2.gz KASPDQOFQNPGTE-CVEARBPZSA-N 2 1 368.522 0.579 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000419032276 489826044 /nfs/dbraw/zinc/82/60/44/489826044.db2.gz AVWUEUSBCUQOEL-TWMKSMIVSA-N 2 1 368.522 0.626 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000419036369 489828397 /nfs/dbraw/zinc/82/83/97/489828397.db2.gz GJINSWXKEKBSTA-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000419040141 489830232 /nfs/dbraw/zinc/83/02/32/489830232.db2.gz MDHSTXUGNMSKEK-JYJNAYRXSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000460047050 489831932 /nfs/dbraw/zinc/83/19/32/489831932.db2.gz FFSDQTMWBGINRG-XHSDSOJGSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000460047050 489831936 /nfs/dbraw/zinc/83/19/36/489831936.db2.gz FFSDQTMWBGINRG-XHSDSOJGSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C[C@H](C)[N@@H+]1C ZINC000460047050 489831938 /nfs/dbraw/zinc/83/19/38/489831938.db2.gz FFSDQTMWBGINRG-XHSDSOJGSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C[C@H](C)[N@H+]1C ZINC000460047050 489831944 /nfs/dbraw/zinc/83/19/44/489831944.db2.gz FFSDQTMWBGINRG-XHSDSOJGSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419047956 489834210 /nfs/dbraw/zinc/83/42/10/489834210.db2.gz UTRJNKGHZAZSOE-DJIMGWMZSA-N 2 1 360.458 0.124 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419047054 489834249 /nfs/dbraw/zinc/83/42/49/489834249.db2.gz RGJOVGBORCCDSX-BZUAXINKSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058235 489836437 /nfs/dbraw/zinc/83/64/37/489836437.db2.gz QTVNETSFXLCAAZ-RDJZCZTQSA-N 2 1 366.506 0.251 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419056431 489837503 /nfs/dbraw/zinc/83/75/03/489837503.db2.gz LMKLLMLAVWCEMD-KZNAEPCWSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419058182 489838395 /nfs/dbraw/zinc/83/83/95/489838395.db2.gz BHYHFGMOXXAGEV-YJNKXOJESA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C[C@@H]1[NH+](C)C ZINC000460064967 489839756 /nfs/dbraw/zinc/83/97/56/489839756.db2.gz XLKCQZRYIZSZLA-INMHGKMJSA-N 2 1 366.506 0.107 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419066547 489843083 /nfs/dbraw/zinc/84/30/83/489843083.db2.gz FJBJFZNWABYSCE-OAHLLOKOSA-N 2 1 362.474 0.201 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419066547 489843087 /nfs/dbraw/zinc/84/30/87/489843087.db2.gz FJBJFZNWABYSCE-OAHLLOKOSA-N 2 1 362.474 0.201 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419071467 489845428 /nfs/dbraw/zinc/84/54/28/489845428.db2.gz LIKDFXFQBVTFGJ-GJZGRUSLSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419071467 489845430 /nfs/dbraw/zinc/84/54/30/489845430.db2.gz LIKDFXFQBVTFGJ-GJZGRUSLSA-N 2 1 362.474 0.377 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086988 489851517 /nfs/dbraw/zinc/85/15/17/489851517.db2.gz OYXJRBRUPUXHTI-ZNMIVQPWSA-N 2 1 356.511 0.624 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086988 489851521 /nfs/dbraw/zinc/85/15/21/489851521.db2.gz OYXJRBRUPUXHTI-ZNMIVQPWSA-N 2 1 356.511 0.624 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419091135 489852174 /nfs/dbraw/zinc/85/21/74/489852174.db2.gz VTGNLARYPPSEEV-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419091135 489852176 /nfs/dbraw/zinc/85/21/76/489852176.db2.gz VTGNLARYPPSEEV-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP CCCN(C(=O)C(=O)NCCCNc1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC000419095907 489854218 /nfs/dbraw/zinc/85/42/18/489854218.db2.gz LFFCOJWZVFUVPL-UHFFFAOYSA-N 2 1 361.490 1.299 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[nH+]c1 ZINC000419096506 489854417 /nfs/dbraw/zinc/85/44/17/489854417.db2.gz LTRKJFRSUAQBCC-UHFFFAOYSA-N 2 1 373.501 1.300 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419099492 489854909 /nfs/dbraw/zinc/85/49/09/489854909.db2.gz DUXCCGXVTRWJJC-SJORKVTESA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419103970 489856366 /nfs/dbraw/zinc/85/63/66/489856366.db2.gz GUVCAWCVPGHYCX-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000460277982 489861369 /nfs/dbraw/zinc/86/13/69/489861369.db2.gz UKXIAHHZDYNHFD-RYRKJORJSA-N 2 1 354.495 0.120 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000460277980 489861659 /nfs/dbraw/zinc/86/16/59/489861659.db2.gz UKXIAHHZDYNHFD-JZXOWHBKSA-N 2 1 354.495 0.120 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000476028675 489862239 /nfs/dbraw/zinc/86/22/39/489862239.db2.gz CUQCHPJBTUXOEF-KRWDZBQOSA-N 2 1 356.511 0.896 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119845 489864253 /nfs/dbraw/zinc/86/42/53/489864253.db2.gz PLEDHHODYVVYKY-WBVHZDCISA-N 2 1 368.522 0.355 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419979678 489871582 /nfs/dbraw/zinc/87/15/82/489871582.db2.gz PUSDPSNLGRKQRX-XHSDSOJGSA-N 2 1 354.495 0.108 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CC1 ZINC000433338531 489875891 /nfs/dbraw/zinc/87/58/91/489875891.db2.gz HOLNKZPZGORAEC-UHFFFAOYSA-N 2 1 369.579 0.704 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420019470 489882410 /nfs/dbraw/zinc/88/24/10/489882410.db2.gz QZJDBMZJVSRVKR-QKPAOTATSA-N 2 1 354.495 0.236 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433420892 489882439 /nfs/dbraw/zinc/88/24/39/489882439.db2.gz GZHQMYHGRDRXHR-HUUCEWRRSA-N 2 1 350.467 0.289 20 0 FCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000377310416 489882584 /nfs/dbraw/zinc/88/25/84/489882584.db2.gz VNBJBWGMVQSXMJ-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000377310416 489882588 /nfs/dbraw/zinc/88/25/88/489882588.db2.gz VNBJBWGMVQSXMJ-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420026220 489884882 /nfs/dbraw/zinc/88/48/82/489884882.db2.gz ZXDAUMISLZTCQQ-XIRDDKMYSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433470150 489887713 /nfs/dbraw/zinc/88/77/13/489887713.db2.gz YGWVWOTXMGEDSS-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433470150 489887717 /nfs/dbraw/zinc/88/77/17/489887717.db2.gz YGWVWOTXMGEDSS-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433470150 489887720 /nfs/dbraw/zinc/88/77/20/489887720.db2.gz YGWVWOTXMGEDSS-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420047381 489892792 /nfs/dbraw/zinc/89/27/92/489892792.db2.gz WDVQFWPVBZKGNH-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420050587 489893681 /nfs/dbraw/zinc/89/36/81/489893681.db2.gz ZEJJDIAAOQADSN-KKUMJFAQSA-N 2 1 354.495 0.406 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420053149 489894492 /nfs/dbraw/zinc/89/44/92/489894492.db2.gz IMMRAZGZNBNGIH-GASCZTMLSA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420065205 489899843 /nfs/dbraw/zinc/89/98/43/489899843.db2.gz XINGFNGMMHMLMH-MRXNPFEDSA-N 2 1 361.490 0.748 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000420068543 489902174 /nfs/dbraw/zinc/90/21/74/489902174.db2.gz ZVLGWQHFFROJLY-MRXNPFEDSA-N 2 1 359.474 0.672 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070090 489902723 /nfs/dbraw/zinc/90/27/23/489902723.db2.gz JEQMWEDZHYVADI-PBHICJAKSA-N 2 1 366.506 0.332 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091168 489908217 /nfs/dbraw/zinc/90/82/17/489908217.db2.gz MMFFZKSBCUFPHB-HXUWFJFHSA-N 2 1 374.485 0.079 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000420092227 489909193 /nfs/dbraw/zinc/90/91/93/489909193.db2.gz HMJYXOUPGNUXGQ-AWEZNQCLSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000420133970 489925030 /nfs/dbraw/zinc/92/50/30/489925030.db2.gz UCCZYDDNBGRXJV-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000420133970 489925033 /nfs/dbraw/zinc/92/50/33/489925033.db2.gz UCCZYDDNBGRXJV-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000495125619 489927420 /nfs/dbraw/zinc/92/74/20/489927420.db2.gz AXOGKRGJOFMYBJ-JKSUJKDBSA-N 2 1 370.538 0.972 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000420141417 489928468 /nfs/dbraw/zinc/92/84/68/489928468.db2.gz ZITDPQQBUFIBGV-GDAAHCPNSA-N 2 1 370.497 0.834 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000477029242 489933153 /nfs/dbraw/zinc/93/31/53/489933153.db2.gz QYYLITJHDUJRRM-CVEARBPZSA-N 2 1 368.522 0.545 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420163834 489937215 /nfs/dbraw/zinc/93/72/15/489937215.db2.gz FYRXTFSPTYOOGU-GASCZTMLSA-N 2 1 366.412 0.287 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420163834 489937217 /nfs/dbraw/zinc/93/72/17/489937217.db2.gz FYRXTFSPTYOOGU-GASCZTMLSA-N 2 1 366.412 0.287 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000571157677 491289325 /nfs/dbraw/zinc/28/93/25/491289325.db2.gz YCMYERRFLSYHBD-BVIKNXMNSA-N 2 1 360.502 0.530 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420165566 489937552 /nfs/dbraw/zinc/93/75/52/489937552.db2.gz NQFDHBAAYMMDHH-AEFFLSMTSA-N 2 1 360.502 0.888 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000571157679 491289429 /nfs/dbraw/zinc/28/94/29/491289429.db2.gz YCMYERRFLSYHBD-UIBIWLFHSA-N 2 1 360.502 0.530 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420168129 489938284 /nfs/dbraw/zinc/93/82/84/489938284.db2.gz KOTPNSNBKJMIPW-UHFFFAOYSA-N 2 1 360.380 0.426 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420207298 489952787 /nfs/dbraw/zinc/95/27/87/489952787.db2.gz UGADWZSMYUSETN-IXDOHACOSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777931 489956985 /nfs/dbraw/zinc/95/69/85/489956985.db2.gz XEKGRQXESKAKFP-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCOCC1 ZINC000377777931 489956989 /nfs/dbraw/zinc/95/69/89/489956989.db2.gz XEKGRQXESKAKFP-ROUUACIJSA-N 2 1 367.538 0.376 20 0 FCADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1NC[C@H]1C[NH2+]CCN1C)OCO3 ZINC000420275261 489959381 /nfs/dbraw/zinc/95/93/81/489959381.db2.gz OCFSQHHOOYNUTP-GFCCVEGCSA-N 2 1 372.425 0.878 20 0 FCADMP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420294017 489960647 /nfs/dbraw/zinc/96/06/47/489960647.db2.gz OBPAPEREEPIAIX-CYBMUJFWSA-N 2 1 362.430 0.199 20 0 FCADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420294017 489960649 /nfs/dbraw/zinc/96/06/49/489960649.db2.gz OBPAPEREEPIAIX-CYBMUJFWSA-N 2 1 362.430 0.199 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC(C[NH2+]CC)CC2)c(=O)[nH]c1=O ZINC000420292270 489960750 /nfs/dbraw/zinc/96/07/50/489960750.db2.gz OYORNQNUAGFHHZ-UHFFFAOYSA-N 2 1 351.451 0.445 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420299645 489961756 /nfs/dbraw/zinc/96/17/56/489961756.db2.gz UEOVNXYDXQIIQU-NWDGAFQWSA-N 2 1 350.385 0.327 20 0 FCADMP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000420298776 489961764 /nfs/dbraw/zinc/96/17/64/489961764.db2.gz SRAIQJAIOQAALJ-CQSZACIVSA-N 2 1 362.430 0.199 20 0 FCADMP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000420298776 489961766 /nfs/dbraw/zinc/96/17/66/489961766.db2.gz SRAIQJAIOQAALJ-CQSZACIVSA-N 2 1 362.430 0.199 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420324991 489963756 /nfs/dbraw/zinc/96/37/56/489963756.db2.gz HTJRGYGJPSGYBR-ZIFCJYIRSA-N 2 1 358.486 0.911 20 0 FCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348671 489965424 /nfs/dbraw/zinc/96/54/24/489965424.db2.gz MKPNLCQEUKQPMI-LSDHHAIUSA-N 2 1 366.456 0.992 20 0 FCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348671 489965426 /nfs/dbraw/zinc/96/54/26/489965426.db2.gz MKPNLCQEUKQPMI-LSDHHAIUSA-N 2 1 366.456 0.992 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420383314 489969917 /nfs/dbraw/zinc/96/99/17/489969917.db2.gz SSFLBXHGPJIUNB-MDZRGWNJSA-N 2 1 360.502 0.803 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)C(=O)OC ZINC000420395685 489971298 /nfs/dbraw/zinc/97/12/98/489971298.db2.gz UISAFWKPKFVQGI-MBGYTDRXSA-N 2 1 369.506 0.909 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000420409001 489972674 /nfs/dbraw/zinc/97/26/74/489972674.db2.gz VCPULKJJDTXMCB-ROUUACIJSA-N 2 1 360.502 0.849 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000420407511 489972866 /nfs/dbraw/zinc/97/28/66/489972866.db2.gz UKEUABHJGWCWPZ-RBUKOAKNSA-N 2 1 358.486 0.312 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462405082 489973743 /nfs/dbraw/zinc/97/37/43/489973743.db2.gz ADPXJZRNRWNWTF-MRXNPFEDSA-N 2 1 352.460 0.348 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000477615581 489977688 /nfs/dbraw/zinc/97/76/88/489977688.db2.gz LZSCLTOHWGVAPF-QGZVFWFLSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000477706875 489986248 /nfs/dbraw/zinc/98/62/48/489986248.db2.gz ZCGQCKVOGBQQTD-MRXNPFEDSA-N 2 1 366.506 0.347 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378001943 489994279 /nfs/dbraw/zinc/99/42/79/489994279.db2.gz KVJWVJPLBPZWCC-HNNXBMFYSA-N 3 1 367.538 0.959 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887234 489994853 /nfs/dbraw/zinc/99/48/53/489994853.db2.gz ACBYWBNZGKNXAA-ZJPYXAASSA-N 2 1 362.518 0.824 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000478015677 490001027 /nfs/dbraw/zinc/00/10/27/490001027.db2.gz JIZLWNASDWFOCL-IAGOWNOFSA-N 2 1 360.458 0.055 20 0 FCADMP CC(C)[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CCOCC1 ZINC000436488678 490007180 /nfs/dbraw/zinc/00/71/80/490007180.db2.gz NFALJTABTHLZGK-HNNXBMFYSA-N 2 1 352.483 0.923 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420735979 490015635 /nfs/dbraw/zinc/01/56/35/490015635.db2.gz KTXCYSMSPJQTFS-HNNXBMFYSA-N 2 1 357.524 0.776 20 0 FCADMP [NH3+]Cc1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000463496714 490020912 /nfs/dbraw/zinc/02/09/12/490020912.db2.gz SKEMRGWKCOGNPH-UHFFFAOYSA-N 2 1 354.458 0.877 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000420842991 490026026 /nfs/dbraw/zinc/02/60/26/490026026.db2.gz NQUIZZPSJDLWNF-MRXNPFEDSA-N 2 1 353.511 0.714 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420894248 490028593 /nfs/dbraw/zinc/02/85/93/490028593.db2.gz RGDNVSVEUYXOCG-UHFFFAOYSA-N 2 1 356.511 0.848 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438347035 490034755 /nfs/dbraw/zinc/03/47/55/490034755.db2.gz RIFTWBOKQQEXOB-UHFFFAOYSA-N 2 1 352.483 1.069 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869311 490046641 /nfs/dbraw/zinc/04/66/41/490046641.db2.gz PVLVZEWNVLVPJK-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869311 490046644 /nfs/dbraw/zinc/04/66/44/490046644.db2.gz PVLVZEWNVLVPJK-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869311 490046646 /nfs/dbraw/zinc/04/66/46/490046646.db2.gz PVLVZEWNVLVPJK-JKSUJKDBSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000545154307 490085534 /nfs/dbraw/zinc/08/55/34/490085534.db2.gz JNTCDUACUDGTCQ-HXUWFJFHSA-N 2 1 360.502 0.772 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000556169749 491300131 /nfs/dbraw/zinc/30/01/31/491300131.db2.gz BURVAQKGXGUQLS-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000556169749 491300132 /nfs/dbraw/zinc/30/01/32/491300132.db2.gz BURVAQKGXGUQLS-IAGOWNOFSA-N 2 1 367.538 0.071 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC000497035034 490136393 /nfs/dbraw/zinc/13/63/93/490136393.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 2 1 358.552 0.730 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@H+](C)CCC ZINC000497035034 490136398 /nfs/dbraw/zinc/13/63/98/490136398.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 2 1 358.552 0.730 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@@H+](C)CCC ZINC000497035034 490136401 /nfs/dbraw/zinc/13/64/01/490136401.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 2 1 358.552 0.730 20 0 FCADMP [NH3+]C1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000520377192 490140865 /nfs/dbraw/zinc/14/08/65/490140865.db2.gz UQCSCLBYUJGRTQ-UHFFFAOYSA-N 2 1 352.479 0.087 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748549 490142634 /nfs/dbraw/zinc/14/26/34/490142634.db2.gz UBZSVZKPZPCNKY-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP COC[C@]1(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000520400869 490142833 /nfs/dbraw/zinc/14/28/33/490142833.db2.gz XJCDCOIBRRAZRT-QAPCUYQASA-N 2 1 366.531 0.779 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839716 490147203 /nfs/dbraw/zinc/14/72/03/490147203.db2.gz JJUXCQDMSIHEGR-BZUAXINKSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839716 490147208 /nfs/dbraw/zinc/14/72/08/490147208.db2.gz JJUXCQDMSIHEGR-BZUAXINKSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1C ZINC000465839716 490147212 /nfs/dbraw/zinc/14/72/12/490147212.db2.gz JJUXCQDMSIHEGR-BZUAXINKSA-N 2 1 353.511 0.711 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556205407 491302934 /nfs/dbraw/zinc/30/29/34/491302934.db2.gz OWICLGHWSSVPHA-PBHICJAKSA-N 2 1 356.536 0.388 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000465950498 490155782 /nfs/dbraw/zinc/15/57/82/490155782.db2.gz OTGKMFGZCROFOW-MSOLQXFVSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000465950498 490155786 /nfs/dbraw/zinc/15/57/86/490155786.db2.gz OTGKMFGZCROFOW-MSOLQXFVSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000465950498 490155791 /nfs/dbraw/zinc/15/57/91/490155791.db2.gz OTGKMFGZCROFOW-MSOLQXFVSA-N 3 1 369.554 0.765 20 0 FCADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272728 490156797 /nfs/dbraw/zinc/15/67/97/490156797.db2.gz UKNIZEZYJWMKSY-GJRWTSMGSA-N 2 1 366.506 0.223 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465953654 490158456 /nfs/dbraw/zinc/15/84/56/490158456.db2.gz STQBKRFKHVBWQE-GOEBONIOSA-N 2 1 364.494 0.714 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465953654 490158463 /nfs/dbraw/zinc/15/84/63/490158463.db2.gz STQBKRFKHVBWQE-GOEBONIOSA-N 2 1 364.494 0.714 20 0 FCADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000497489758 490168410 /nfs/dbraw/zinc/16/84/10/490168410.db2.gz RBINGPXBMNNSTP-LJQANCHMSA-N 2 1 363.550 0.393 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000497489758 490168413 /nfs/dbraw/zinc/16/84/13/490168413.db2.gz RBINGPXBMNNSTP-LJQANCHMSA-N 2 1 363.550 0.393 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000497489758 490168416 /nfs/dbraw/zinc/16/84/16/490168416.db2.gz RBINGPXBMNNSTP-LJQANCHMSA-N 2 1 363.550 0.393 20 0 FCADMP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)CN1CC[NH+](C)CC1 ZINC000466130778 490168715 /nfs/dbraw/zinc/16/87/15/490168715.db2.gz JBZHZGSLGLTKPC-ROUUACIJSA-N 2 1 369.554 0.262 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608410 490169450 /nfs/dbraw/zinc/16/94/50/490169450.db2.gz XZZAEKKVRASREZ-UXHICEINSA-N 2 1 359.470 0.196 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401122 491305021 /nfs/dbraw/zinc/30/50/21/491305021.db2.gz PYNVTMUBRWYQIF-WMZOPIPTSA-N 2 1 362.522 0.811 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCCCC1 ZINC000556242594 491305289 /nfs/dbraw/zinc/30/52/89/491305289.db2.gz RADVWKCVRSNICT-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000497685980 490194564 /nfs/dbraw/zinc/19/45/64/490194564.db2.gz FHTMSHLWDOHLDV-IKGGRYGDSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000497685980 490194570 /nfs/dbraw/zinc/19/45/70/490194570.db2.gz FHTMSHLWDOHLDV-IKGGRYGDSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000497685980 490194578 /nfs/dbraw/zinc/19/45/78/490194578.db2.gz FHTMSHLWDOHLDV-IKGGRYGDSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000571442873 491308489 /nfs/dbraw/zinc/30/84/89/491308489.db2.gz YTYHAHNRPUBKJD-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000571442873 491308493 /nfs/dbraw/zinc/30/84/93/491308493.db2.gz YTYHAHNRPUBKJD-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000571442873 491308495 /nfs/dbraw/zinc/30/84/95/491308495.db2.gz YTYHAHNRPUBKJD-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000571442873 491308496 /nfs/dbraw/zinc/30/84/96/491308496.db2.gz YTYHAHNRPUBKJD-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C ZINC000498236645 490275584 /nfs/dbraw/zinc/27/55/84/490275584.db2.gz AFOVMIQDDXDVAZ-CABCVRRESA-N 2 1 353.511 0.663 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C ZINC000498236645 490275586 /nfs/dbraw/zinc/27/55/86/490275586.db2.gz AFOVMIQDDXDVAZ-CABCVRRESA-N 2 1 353.511 0.663 20 0 FCADMP C[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000521643895 490286583 /nfs/dbraw/zinc/28/65/83/490286583.db2.gz RRSNAGUOMDTQOE-UHFFFAOYSA-N 2 1 352.523 0.631 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000447954358 490304454 /nfs/dbraw/zinc/30/44/54/490304454.db2.gz LFXAEDWCCBPJGL-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000447954358 490304461 /nfs/dbraw/zinc/30/44/61/490304461.db2.gz LFXAEDWCCBPJGL-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000447954358 490304468 /nfs/dbraw/zinc/30/44/68/490304468.db2.gz LFXAEDWCCBPJGL-HUUCEWRRSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000483426926 490317146 /nfs/dbraw/zinc/31/71/46/490317146.db2.gz ASFASAJXRVDKMH-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000483426926 490317151 /nfs/dbraw/zinc/31/71/51/490317151.db2.gz ASFASAJXRVDKMH-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521962529 490317250 /nfs/dbraw/zinc/31/72/50/490317250.db2.gz HRUSGDGBIYSQDQ-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521962529 490317255 /nfs/dbraw/zinc/31/72/55/490317255.db2.gz HRUSGDGBIYSQDQ-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521962531 490317364 /nfs/dbraw/zinc/31/73/64/490317364.db2.gz HRUSGDGBIYSQDQ-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521962531 490317369 /nfs/dbraw/zinc/31/73/69/490317369.db2.gz HRUSGDGBIYSQDQ-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+]1CCC(C)(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000508422899 490328927 /nfs/dbraw/zinc/32/89/27/490328927.db2.gz KYPMEOKPFRQJQL-UHFFFAOYSA-N 2 1 369.554 0.408 20 0 FCADMP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534272092 490339224 /nfs/dbraw/zinc/33/92/24/490339224.db2.gz QRYOXUGBRZHFTM-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626051 491319411 /nfs/dbraw/zinc/31/94/11/491319411.db2.gz OZSVQCSVBUEUQS-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626051 491319412 /nfs/dbraw/zinc/31/94/12/491319412.db2.gz OZSVQCSVBUEUQS-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626053 491319445 /nfs/dbraw/zinc/31/94/45/491319445.db2.gz OZSVQCSVBUEUQS-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000571626053 491319447 /nfs/dbraw/zinc/31/94/47/491319447.db2.gz OZSVQCSVBUEUQS-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000422488598 490354287 /nfs/dbraw/zinc/35/42/87/490354287.db2.gz KLJPAZMQVBZIRT-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422494010 490358144 /nfs/dbraw/zinc/35/81/44/490358144.db2.gz ZINUSWMMFXYSAH-IXDOHACOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000498966764 490373945 /nfs/dbraw/zinc/37/39/45/490373945.db2.gz FKOMTHUODDTRIO-QZTJIDSGSA-N 2 1 369.554 0.501 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000522443410 490379822 /nfs/dbraw/zinc/37/98/22/490379822.db2.gz DUGOFBKWCHSLCS-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522443410 490379829 /nfs/dbraw/zinc/37/98/29/490379829.db2.gz DUGOFBKWCHSLCS-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000522443410 490379835 /nfs/dbraw/zinc/37/98/35/490379835.db2.gz DUGOFBKWCHSLCS-IKGGRYGDSA-N 2 1 365.522 0.855 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342647 490391483 /nfs/dbraw/zinc/39/14/83/490391483.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000468342647 490391492 /nfs/dbraw/zinc/39/14/92/490391492.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342647 490391497 /nfs/dbraw/zinc/39/14/97/490391497.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000468416167 490400081 /nfs/dbraw/zinc/40/00/81/490400081.db2.gz GWRFGHJZTYLODG-IYBDPMFKSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000468416167 490400088 /nfs/dbraw/zinc/40/00/88/490400088.db2.gz GWRFGHJZTYLODG-IYBDPMFKSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1CC(C)(C)O ZINC000548032946 490410114 /nfs/dbraw/zinc/41/01/14/490410114.db2.gz LQWMPSNMXRRRNB-KRWDZBQOSA-N 2 1 369.554 0.501 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCO1 ZINC000499340575 490414750 /nfs/dbraw/zinc/41/47/50/490414750.db2.gz HBPZLAUQLGLQDC-LSDHHAIUSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706650 490425096 /nfs/dbraw/zinc/42/50/96/490425096.db2.gz OAGCWESUNYXMEX-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000422633593 490436935 /nfs/dbraw/zinc/43/69/35/490436935.db2.gz IODPJAKIBQLIJX-XWTMOSNGSA-N 2 1 354.539 0.765 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000484703483 490457266 /nfs/dbraw/zinc/45/72/66/490457266.db2.gz FMXSQEBYXSJOPE-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000484703483 490457274 /nfs/dbraw/zinc/45/72/74/490457274.db2.gz FMXSQEBYXSJOPE-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000484703483 490457279 /nfs/dbraw/zinc/45/72/79/490457279.db2.gz FMXSQEBYXSJOPE-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000509723998 490458268 /nfs/dbraw/zinc/45/82/68/490458268.db2.gz IAPKWZSUXSRJKO-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000535261131 490471503 /nfs/dbraw/zinc/47/15/03/490471503.db2.gz UZKKULVWFJESBM-HZPDHXFCSA-N 2 1 370.563 0.825 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484874482 490473763 /nfs/dbraw/zinc/47/37/63/490473763.db2.gz DPRICRWDDCMZGM-XHSDSOJGSA-N 2 1 364.490 0.988 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972709 490485150 /nfs/dbraw/zinc/48/51/50/490485150.db2.gz OQKAGZZPFOFYJW-GXTWGEPZSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972709 490485154 /nfs/dbraw/zinc/48/51/54/490485154.db2.gz OQKAGZZPFOFYJW-GXTWGEPZSA-N 2 1 351.447 0.998 20 0 FCADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C2 ZINC000571801503 491330044 /nfs/dbraw/zinc/33/00/44/491330044.db2.gz YDGJVFMPGUTASH-JHNDHUHGSA-N 2 1 366.506 0.101 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980172 490509852 /nfs/dbraw/zinc/50/98/52/490509852.db2.gz OSNHDWJAYBPJAK-IRXDYDNUSA-N 2 1 355.523 0.990 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500432364 490515055 /nfs/dbraw/zinc/51/50/55/490515055.db2.gz CPLDXPRRJQPJOI-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721781 490517554 /nfs/dbraw/zinc/51/75/54/490517554.db2.gz XYKFEJIZOONJCS-SXLOBPIMSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000535721781 490517562 /nfs/dbraw/zinc/51/75/62/490517562.db2.gz XYKFEJIZOONJCS-SXLOBPIMSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535721781 490517566 /nfs/dbraw/zinc/51/75/66/490517566.db2.gz XYKFEJIZOONJCS-SXLOBPIMSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535721781 490517570 /nfs/dbraw/zinc/51/75/70/490517570.db2.gz XYKFEJIZOONJCS-SXLOBPIMSA-N 2 1 372.513 0.782 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396509 490528081 /nfs/dbraw/zinc/52/80/81/490528081.db2.gz LYCRWIWBRLHUNO-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396509 490528086 /nfs/dbraw/zinc/52/80/86/490528086.db2.gz LYCRWIWBRLHUNO-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396509 490528090 /nfs/dbraw/zinc/52/80/90/490528090.db2.gz LYCRWIWBRLHUNO-IAGOWNOFSA-N 2 1 367.538 0.912 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000485482531 490533344 /nfs/dbraw/zinc/53/33/44/490533344.db2.gz SVAGQBYMDFHTAH-SJORKVTESA-N 2 1 366.506 0.081 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423074527 490536371 /nfs/dbraw/zinc/53/63/71/490536371.db2.gz UXWSMTYKZSGLME-GBESFXJTSA-N 2 1 370.497 0.787 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)CSCC(=O)NCCn1cc[nH+]c1C ZINC000536016400 490546319 /nfs/dbraw/zinc/54/63/19/490546319.db2.gz BXJFLGVFTXIEOO-UHFFFAOYSA-N 2 1 364.475 0.362 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CCO1 ZINC000500783950 490553198 /nfs/dbraw/zinc/55/31/98/490553198.db2.gz MBPBMRSTDOLIMC-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000549725311 490597128 /nfs/dbraw/zinc/59/71/28/490597128.db2.gz ATXQUFSISPSREP-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000486352068 490612533 /nfs/dbraw/zinc/61/25/33/490612533.db2.gz JCAZWBGDJTXMBA-OAHLLOKOSA-N 2 1 362.478 0.090 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000549877532 490612892 /nfs/dbraw/zinc/61/28/92/490612892.db2.gz PSUOEIGGIRXNCN-KRWDZBQOSA-N 2 1 366.506 0.302 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000549984946 490617735 /nfs/dbraw/zinc/61/77/35/490617735.db2.gz CQLUPISRNNTORV-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501591615 490620346 /nfs/dbraw/zinc/62/03/46/490620346.db2.gz VEFOFLQDENBVOM-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCOC ZINC000501600108 490620434 /nfs/dbraw/zinc/62/04/34/490620434.db2.gz GIZIKYRRDZLSMY-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000550102675 490624893 /nfs/dbraw/zinc/62/48/93/490624893.db2.gz AJFNGDBQKYIVFO-CVEARBPZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635905 490628316 /nfs/dbraw/zinc/62/83/16/490628316.db2.gz GVRXVVFZFNJFMG-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501644243 490629142 /nfs/dbraw/zinc/62/91/42/490629142.db2.gz XDKRJHXAOCIYQG-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501644243 490629149 /nfs/dbraw/zinc/62/91/49/490629149.db2.gz XDKRJHXAOCIYQG-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501644243 490629152 /nfs/dbraw/zinc/62/91/52/490629152.db2.gz XDKRJHXAOCIYQG-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000550129541 490630085 /nfs/dbraw/zinc/63/00/85/490630085.db2.gz ITCOBWLHXSYAFR-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000501651820 490631374 /nfs/dbraw/zinc/63/13/74/490631374.db2.gz YMISONWMPPRCFC-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1=O ZINC000525826552 490639541 /nfs/dbraw/zinc/63/95/41/490639541.db2.gz JJTBLAUZSJLKNC-OAHLLOKOSA-N 3 1 374.489 0.182 20 0 FCADMP O=S(=O)(CC[NH2+]C1CC[NH+](CC2CC2)CC1)NC[C@H]1CCCCO1 ZINC000537059047 490642485 /nfs/dbraw/zinc/64/24/85/490642485.db2.gz LLLQXMKPSMAUQI-QGZVFWFLSA-N 2 1 359.536 0.939 20 0 FCADMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848918 490646984 /nfs/dbraw/zinc/64/69/84/490646984.db2.gz HQSOZRSZAOARAS-RTBURBONSA-N 2 1 357.539 0.748 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465091 490671580 /nfs/dbraw/zinc/67/15/80/490671580.db2.gz XNTNTBFPNILNOG-RDJZCZTQSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000572037385 491344652 /nfs/dbraw/zinc/34/46/52/491344652.db2.gz GKGWKVMRQGGEIQ-KBRIMQKVSA-N 2 1 366.506 0.079 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000572037384 491344741 /nfs/dbraw/zinc/34/47/41/491344741.db2.gz GKGWKVMRQGGEIQ-COXVUDFISA-N 2 1 366.506 0.079 20 0 FCADMP CCOC(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487012313 490687019 /nfs/dbraw/zinc/68/70/19/490687019.db2.gz AQNFHKSXGFNUNM-XJNFMUPTSA-N 2 1 368.522 0.019 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000487089540 490692197 /nfs/dbraw/zinc/69/21/97/490692197.db2.gz WDWOTMSGQNKWPY-QGZVFWFLSA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000487089540 490692198 /nfs/dbraw/zinc/69/21/98/490692198.db2.gz WDWOTMSGQNKWPY-QGZVFWFLSA-N 2 1 367.538 0.959 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000502392089 490703076 /nfs/dbraw/zinc/70/30/76/490703076.db2.gz MNUVPZJLTGPENV-SJORKVTESA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000502392089 490703080 /nfs/dbraw/zinc/70/30/80/490703080.db2.gz MNUVPZJLTGPENV-SJORKVTESA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000502392089 490703084 /nfs/dbraw/zinc/70/30/84/490703084.db2.gz MNUVPZJLTGPENV-SJORKVTESA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000502392089 490703087 /nfs/dbraw/zinc/70/30/87/490703087.db2.gz MNUVPZJLTGPENV-SJORKVTESA-N 2 1 369.506 0.973 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C2([NH3+])CCOCC2)[C@@H](c2ccccc2)C1 ZINC000512956541 490704961 /nfs/dbraw/zinc/70/49/61/490704961.db2.gz ZCPZJPNDQTYBRO-GOSISDBHSA-N 2 1 360.502 0.989 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C2([NH3+])CCOCC2)[C@@H](c2ccccc2)C1 ZINC000512956541 490704965 /nfs/dbraw/zinc/70/49/65/490704965.db2.gz ZCPZJPNDQTYBRO-GOSISDBHSA-N 2 1 360.502 0.989 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C2([NH3+])CCOCC2)[C@@H](c2ccccc2)C1 ZINC000512956541 490704969 /nfs/dbraw/zinc/70/49/69/490704969.db2.gz ZCPZJPNDQTYBRO-GOSISDBHSA-N 2 1 360.502 0.989 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103739 491348597 /nfs/dbraw/zinc/34/85/97/491348597.db2.gz FDOVLMLRHZQJCX-MAUKXSAKSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572103736 491348639 /nfs/dbraw/zinc/34/86/39/491348639.db2.gz FDOVLMLRHZQJCX-CRAIPNDOSA-N 2 1 358.486 0.739 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000487444028 490712715 /nfs/dbraw/zinc/71/27/15/490712715.db2.gz SMKDTVWAJPQIAZ-GJZGRUSLSA-N 2 1 363.524 0.473 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000487444028 490712720 /nfs/dbraw/zinc/71/27/20/490712720.db2.gz SMKDTVWAJPQIAZ-GJZGRUSLSA-N 2 1 363.524 0.473 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000487444030 490713136 /nfs/dbraw/zinc/71/31/36/490713136.db2.gz SMKDTVWAJPQIAZ-HUUCEWRRSA-N 2 1 363.524 0.473 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000487444030 490713139 /nfs/dbraw/zinc/71/31/39/490713139.db2.gz SMKDTVWAJPQIAZ-HUUCEWRRSA-N 2 1 363.524 0.473 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C[C@@H](C)O1 ZINC000502919418 490730070 /nfs/dbraw/zinc/73/00/70/490730070.db2.gz OVPPASWWLHXBDR-HZPDHXFCSA-N 2 1 364.494 0.736 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478349 490733326 /nfs/dbraw/zinc/73/33/26/490733326.db2.gz XEVMISRSMLQDIE-CVEARBPZSA-N 2 1 370.538 0.696 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527770574 490758567 /nfs/dbraw/zinc/75/85/67/490758567.db2.gz FXTWSWNHIQDNDQ-KRWDZBQOSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527770574 490758571 /nfs/dbraw/zinc/75/85/71/490758571.db2.gz FXTWSWNHIQDNDQ-KRWDZBQOSA-N 2 1 365.522 0.855 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000557113319 491354098 /nfs/dbraw/zinc/35/40/98/491354098.db2.gz BXWDGSZAFJVAQB-QGZVFWFLSA-N 2 1 359.474 0.625 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000514585841 490771921 /nfs/dbraw/zinc/77/19/21/490771921.db2.gz KVMKLQBRFNOBEU-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000514585841 490771924 /nfs/dbraw/zinc/77/19/24/490771924.db2.gz KVMKLQBRFNOBEU-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000539283601 490774834 /nfs/dbraw/zinc/77/48/34/490774834.db2.gz UMAKLDUJZJOHCD-UHFFFAOYSA-N 2 1 373.461 0.800 20 0 FCADMP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605240 490775090 /nfs/dbraw/zinc/77/50/90/490775090.db2.gz LLSCPRYZMVVDRJ-GOEBONIOSA-N 2 1 358.450 0.303 20 0 FCADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000514605240 490775093 /nfs/dbraw/zinc/77/50/93/490775093.db2.gz LLSCPRYZMVVDRJ-GOEBONIOSA-N 2 1 358.450 0.303 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851632 490778987 /nfs/dbraw/zinc/77/89/87/490778987.db2.gz JIZKLBNKFNMNQP-WNRNVDISSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000514859390 490793701 /nfs/dbraw/zinc/79/37/01/490793701.db2.gz OKBFUOZDEQAPSV-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000514859390 490793705 /nfs/dbraw/zinc/79/37/05/490793705.db2.gz OKBFUOZDEQAPSV-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000515011523 490802920 /nfs/dbraw/zinc/80/29/20/490802920.db2.gz ODCPECSNDLWQMG-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1)CC1CC1 ZINC000540046431 490806607 /nfs/dbraw/zinc/80/66/07/490806607.db2.gz FHPQFEMOCMTQGB-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322860 490817358 /nfs/dbraw/zinc/81/73/58/490817358.db2.gz ZLDHBDILOZTPKJ-ZHALLVOQSA-N 2 1 356.555 0.414 20 0 FCADMP CC[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000515381346 490823150 /nfs/dbraw/zinc/82/31/50/490823150.db2.gz IFKKEPPTHFKQQI-QZTJIDSGSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000515390667 490823564 /nfs/dbraw/zinc/82/35/64/490823564.db2.gz LUULQDZADWIOIH-ZDUSSCGKSA-N 2 1 368.503 0.935 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000540573659 490828827 /nfs/dbraw/zinc/82/88/27/490828827.db2.gz ZFONMPPYVTZEAW-INIZCTEOSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000540573659 490828830 /nfs/dbraw/zinc/82/88/30/490828830.db2.gz ZFONMPPYVTZEAW-INIZCTEOSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540573659 490828834 /nfs/dbraw/zinc/82/88/34/490828834.db2.gz ZFONMPPYVTZEAW-INIZCTEOSA-N 2 1 351.495 0.490 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000540696190 490833744 /nfs/dbraw/zinc/83/37/44/490833744.db2.gz KKNMIKWIPAWADV-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000540696190 490833747 /nfs/dbraw/zinc/83/37/47/490833747.db2.gz KKNMIKWIPAWADV-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000540696190 490833751 /nfs/dbraw/zinc/83/37/51/490833751.db2.gz KKNMIKWIPAWADV-MSOLQXFVSA-N 2 1 373.501 0.715 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000515738086 490837465 /nfs/dbraw/zinc/83/74/65/490837465.db2.gz NXFZPRHSESZTPM-OAHLLOKOSA-N 2 1 365.522 0.713 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000515738086 490837467 /nfs/dbraw/zinc/83/74/67/490837467.db2.gz NXFZPRHSESZTPM-OAHLLOKOSA-N 2 1 365.522 0.713 20 0 FCADMP [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000515855653 490841150 /nfs/dbraw/zinc/84/11/50/490841150.db2.gz JOFFDOGTGGTDJF-SFHVURJKSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000515877638 490842262 /nfs/dbraw/zinc/84/22/62/490842262.db2.gz IFNUSHMRZRBUNO-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000515877638 490842264 /nfs/dbraw/zinc/84/22/64/490842264.db2.gz IFNUSHMRZRBUNO-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000515877638 490842267 /nfs/dbraw/zinc/84/22/67/490842267.db2.gz IFNUSHMRZRBUNO-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303548 490848622 /nfs/dbraw/zinc/84/86/22/490848622.db2.gz OIJXUOCYKPVZQM-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1C ZINC000529316298 490850945 /nfs/dbraw/zinc/85/09/45/490850945.db2.gz NFPPDLHZCQMJDQ-INIZCTEOSA-N 2 1 364.494 0.786 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529330228 490853506 /nfs/dbraw/zinc/85/35/06/490853506.db2.gz KQLNZHLXFAGEBQ-OAHLLOKOSA-N 2 1 352.479 0.452 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000516215656 490857391 /nfs/dbraw/zinc/85/73/91/490857391.db2.gz AYSUDEZZVXIKTE-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000516215656 490857393 /nfs/dbraw/zinc/85/73/93/490857393.db2.gz AYSUDEZZVXIKTE-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529377925 490858650 /nfs/dbraw/zinc/85/86/50/490858650.db2.gz HXKIPTAFLZSFDJ-UXLLHSPISA-N 2 1 354.495 0.506 20 0 FCADMP C[C@@]1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC[NH2+]C1 ZINC000516294306 490859758 /nfs/dbraw/zinc/85/97/58/490859758.db2.gz UJTXPNVJSIYHOD-QFBILLFUSA-N 2 1 366.506 0.206 20 0 FCADMP O=C(C[C@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000516650383 490872850 /nfs/dbraw/zinc/87/28/50/490872850.db2.gz USWVHRTVDOOZFI-INIZCTEOSA-N 2 1 361.490 0.961 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760115 490876907 /nfs/dbraw/zinc/87/69/07/490876907.db2.gz WAAMYEIKWWKMAJ-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557206250 491359777 /nfs/dbraw/zinc/35/97/77/491359777.db2.gz QQDDWKZWVFMSPH-IRXDYDNUSA-N 2 1 373.501 0.723 20 0 FCADMP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000517033901 490892175 /nfs/dbraw/zinc/89/21/75/490892175.db2.gz ONGBKTVPAWVZRY-MRXNPFEDSA-N 2 1 363.481 0.676 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517059593 490893407 /nfs/dbraw/zinc/89/34/07/490893407.db2.gz WGLOTFUUSCVPOQ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000517221678 490899291 /nfs/dbraw/zinc/89/92/91/490899291.db2.gz XEADBEWCAPVFFU-ZACQAIPSSA-N 2 1 368.522 0.497 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000542778707 490908514 /nfs/dbraw/zinc/90/85/14/490908514.db2.gz HHFIZSRMCNVUBO-VAMGGRTRSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000542778707 490908517 /nfs/dbraw/zinc/90/85/17/490908517.db2.gz HHFIZSRMCNVUBO-VAMGGRTRSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000542778707 490908520 /nfs/dbraw/zinc/90/85/20/490908520.db2.gz HHFIZSRMCNVUBO-VAMGGRTRSA-N 2 1 372.513 0.376 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000517567067 490912525 /nfs/dbraw/zinc/91/25/25/490912525.db2.gz YWMVRPSAOXEJTF-HNNXBMFYSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530679681 490918967 /nfs/dbraw/zinc/91/89/67/490918967.db2.gz YEVJJIIQHQDLND-FPOVZHCZSA-N 2 1 373.497 0.804 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000517968738 490926819 /nfs/dbraw/zinc/92/68/19/490926819.db2.gz HNQQAXJXCMKZLD-CEXWTWQISA-N 2 1 372.513 0.971 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000518380828 490938814 /nfs/dbraw/zinc/93/88/14/490938814.db2.gz AZHLSNQBMZMUOT-FQEVSTJZSA-N 2 1 371.529 0.310 20 0 FCADMP CC(C)CN1C[C@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374183 491365638 /nfs/dbraw/zinc/36/56/38/491365638.db2.gz IJUYXVXMWVMMJZ-JKSUJKDBSA-N 2 1 351.495 0.262 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000565255802 491366266 /nfs/dbraw/zinc/36/62/66/491366266.db2.gz VAABUSPCNOJZDU-UHFFFAOYSA-N 2 1 371.526 0.245 20 0 FCADMP C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357911 490953563 /nfs/dbraw/zinc/95/35/63/490953563.db2.gz PHIJTZNYPITMOC-AWEZNQCLSA-N 2 1 374.489 0.633 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000565256392 491366442 /nfs/dbraw/zinc/36/64/42/491366442.db2.gz ZJURSNJBKHCQBO-PMPSAXMXSA-N 2 1 365.522 0.840 20 0 FCADMP C[C@H](C[S@@](C)=O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000544128447 490958328 /nfs/dbraw/zinc/95/83/28/490958328.db2.gz OZBNSWRHBVCLFL-SGANQWHYSA-N 2 1 367.519 0.660 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000519558199 490976776 /nfs/dbraw/zinc/97/67/76/490976776.db2.gz PZJYRRKEQFGPFG-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000519604118 490978901 /nfs/dbraw/zinc/97/89/01/490978901.db2.gz ZGTVRJIEDQUUGH-UHFFFAOYSA-N 2 1 371.489 0.304 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000544784872 490981430 /nfs/dbraw/zinc/98/14/30/490981430.db2.gz IYLUNVLFWCMSOX-GOSISDBHSA-N 2 1 352.523 0.367 20 0 FCADMP CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000519673800 490983454 /nfs/dbraw/zinc/98/34/54/490983454.db2.gz VJZNVOMMMFTAOH-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000532394038 490992216 /nfs/dbraw/zinc/99/22/16/490992216.db2.gz QNVHJZFFJUBWNI-UHFFFAOYSA-N 3 1 362.522 0.553 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000553904472 491163280 /nfs/dbraw/zinc/16/32/80/491163280.db2.gz ZHRMWPZXRIAWLE-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000554231626 491186434 /nfs/dbraw/zinc/18/64/34/491186434.db2.gz XQQLQZPLVKOWMU-HNNXBMFYSA-N 2 1 356.536 0.532 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000554231626 491186436 /nfs/dbraw/zinc/18/64/36/491186436.db2.gz XQQLQZPLVKOWMU-HNNXBMFYSA-N 2 1 356.536 0.532 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000562773120 491188198 /nfs/dbraw/zinc/18/81/98/491188198.db2.gz HZXZAFLXQGXVDZ-MRXNPFEDSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000562773120 491188200 /nfs/dbraw/zinc/18/82/00/491188200.db2.gz HZXZAFLXQGXVDZ-MRXNPFEDSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000562773120 491188203 /nfs/dbraw/zinc/18/82/03/491188203.db2.gz HZXZAFLXQGXVDZ-MRXNPFEDSA-N 2 1 356.511 0.306 20 0 FCADMP COC[C@]1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCC[NH2+]1 ZINC000572467124 491371914 /nfs/dbraw/zinc/37/19/14/491371914.db2.gz HWQVEDBEARSSNF-MAUKXSAKSA-N 2 1 354.495 0.650 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000557566189 491383776 /nfs/dbraw/zinc/38/37/76/491383776.db2.gz PSWAHJKMYYIESV-DOTOQJQBSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000557566189 491383778 /nfs/dbraw/zinc/38/37/78/491383778.db2.gz PSWAHJKMYYIESV-DOTOQJQBSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566189 491383780 /nfs/dbraw/zinc/38/37/80/491383780.db2.gz PSWAHJKMYYIESV-DOTOQJQBSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000557566189 491383781 /nfs/dbraw/zinc/38/37/81/491383781.db2.gz PSWAHJKMYYIESV-DOTOQJQBSA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000572684155 491386663 /nfs/dbraw/zinc/38/66/63/491386663.db2.gz VNTAAPCNIZLRGH-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000572684155 491386665 /nfs/dbraw/zinc/38/66/65/491386665.db2.gz VNTAAPCNIZLRGH-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742096 491395307 /nfs/dbraw/zinc/39/53/07/491395307.db2.gz JPFZZJRJDMYFAE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000557742096 491395310 /nfs/dbraw/zinc/39/53/10/491395310.db2.gz JPFZZJRJDMYFAE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000557742096 491395312 /nfs/dbraw/zinc/39/53/12/491395312.db2.gz JPFZZJRJDMYFAE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CCCC2)CCCO1 ZINC000557744012 491396058 /nfs/dbraw/zinc/39/60/58/491396058.db2.gz YCUGSWGQFITSOK-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCCO1 ZINC000557744012 491396059 /nfs/dbraw/zinc/39/60/59/491396059.db2.gz YCUGSWGQFITSOK-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCCO1 ZINC000557744012 491396060 /nfs/dbraw/zinc/39/60/60/491396060.db2.gz YCUGSWGQFITSOK-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000558105940 491414280 /nfs/dbraw/zinc/41/42/80/491414280.db2.gz ZBIFFGNXBBDCPA-USXIJHARSA-N 2 1 368.522 0.327 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000558134537 491415964 /nfs/dbraw/zinc/41/59/64/491415964.db2.gz DSMUKWTWJXIZJE-QGZVFWFLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000573201528 491418707 /nfs/dbraw/zinc/41/87/07/491418707.db2.gz ANSIMIQRPDERMG-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@@H+](CCCCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000573201528 491418711 /nfs/dbraw/zinc/41/87/11/491418711.db2.gz ANSIMIQRPDERMG-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@H+](CCCCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000573201528 491418714 /nfs/dbraw/zinc/41/87/14/491418714.db2.gz ANSIMIQRPDERMG-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[NH+](CCCCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000573201528 491418717 /nfs/dbraw/zinc/41/87/17/491418717.db2.gz ANSIMIQRPDERMG-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[NH+](CCCCN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000573201528 491418719 /nfs/dbraw/zinc/41/87/19/491418719.db2.gz ANSIMIQRPDERMG-FGYAAKKASA-N 2 1 370.582 0.540 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000573223580 491420312 /nfs/dbraw/zinc/42/03/12/491420312.db2.gz LFJYJRJMYDPYQT-QGZVFWFLSA-N 2 1 365.453 0.235 20 0 FCADMP CC(C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+]1CCN(C)CC1 ZINC000566181299 491423816 /nfs/dbraw/zinc/42/38/16/491423816.db2.gz RMGCAFJLWWBTSS-DOTOQJQBSA-N 2 1 363.510 0.032 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000566195782 491425021 /nfs/dbraw/zinc/42/50/21/491425021.db2.gz NKYCFGLAAASOOH-AWEZNQCLSA-N 2 1 358.450 0.162 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566244586 491430173 /nfs/dbraw/zinc/43/01/73/491430173.db2.gz ZPZXKDFVOWOEDZ-IKGGRYGDSA-N 2 1 364.490 0.053 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566296934 491433655 /nfs/dbraw/zinc/43/36/55/491433655.db2.gz AACINJNCNQMGGG-QGZVFWFLSA-N 2 1 362.522 0.352 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000573547201 491439911 /nfs/dbraw/zinc/43/99/11/491439911.db2.gz XQPIDOOFYBBIFC-LZQZEXGQSA-N 2 1 372.513 0.874 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](COC)C(=O)OC)CC2)CC1 ZINC000566449020 491444600 /nfs/dbraw/zinc/44/46/00/491444600.db2.gz OTQYILHGRAFVOM-INIZCTEOSA-N 2 1 355.479 0.487 20 0 FCADMP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983282 491450625 /nfs/dbraw/zinc/45/06/25/491450625.db2.gz FHSSJHLCZRMRDQ-YESZJQIVSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983282 491450627 /nfs/dbraw/zinc/45/06/27/491450627.db2.gz FHSSJHLCZRMRDQ-YESZJQIVSA-N 2 1 365.522 0.522 20 0 FCADMP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000573820688 491457420 /nfs/dbraw/zinc/45/74/20/491457420.db2.gz FUHTZTOVEWVSLB-RDJZCZTQSA-N 2 1 358.421 0.956 20 0 FCADMP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000573820687 491457514 /nfs/dbraw/zinc/45/75/14/491457514.db2.gz FUHTZTOVEWVSLB-NVXWUHKLSA-N 2 1 358.421 0.956 20 0 FCADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310683 491464142 /nfs/dbraw/zinc/46/41/42/491464142.db2.gz CJCBORPNSQJFED-HXUWFJFHSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310683 491464144 /nfs/dbraw/zinc/46/41/44/491464144.db2.gz CJCBORPNSQJFED-HXUWFJFHSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310683 491464147 /nfs/dbraw/zinc/46/41/47/491464147.db2.gz CJCBORPNSQJFED-HXUWFJFHSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000559363408 491467639 /nfs/dbraw/zinc/46/76/39/491467639.db2.gz KGGRSAVGCHYYKD-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000566807982 491468388 /nfs/dbraw/zinc/46/83/88/491468388.db2.gz XEQQFEPGANAGRK-IVSAIRAKSA-N 2 1 374.489 0.840 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000559405676 491470735 /nfs/dbraw/zinc/47/07/35/491470735.db2.gz OPMUMZKEOZMLAC-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405676 491470737 /nfs/dbraw/zinc/47/07/37/491470737.db2.gz OPMUMZKEOZMLAC-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405676 491470740 /nfs/dbraw/zinc/47/07/40/491470740.db2.gz OPMUMZKEOZMLAC-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000559416726 491471054 /nfs/dbraw/zinc/47/10/54/491471054.db2.gz SPKGIHPSBVGYAP-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000559439705 491472589 /nfs/dbraw/zinc/47/25/89/491472589.db2.gz MDDGZFBTNXGRGJ-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000559439705 491472591 /nfs/dbraw/zinc/47/25/91/491472591.db2.gz MDDGZFBTNXGRGJ-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000559439705 491472593 /nfs/dbraw/zinc/47/25/93/491472593.db2.gz MDDGZFBTNXGRGJ-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000559439703 491472614 /nfs/dbraw/zinc/47/26/14/491472614.db2.gz MDDGZFBTNXGRGJ-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000559439703 491472616 /nfs/dbraw/zinc/47/26/16/491472616.db2.gz MDDGZFBTNXGRGJ-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000559439703 491472619 /nfs/dbraw/zinc/47/26/19/491472619.db2.gz MDDGZFBTNXGRGJ-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000559441095 491473448 /nfs/dbraw/zinc/47/34/48/491473448.db2.gz KDULEBHLMVSJLD-NVXWUHKLSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000559441095 491473449 /nfs/dbraw/zinc/47/34/49/491473449.db2.gz KDULEBHLMVSJLD-NVXWUHKLSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000559441095 491473450 /nfs/dbraw/zinc/47/34/50/491473450.db2.gz KDULEBHLMVSJLD-NVXWUHKLSA-N 2 1 366.506 0.060 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000566905145 491474238 /nfs/dbraw/zinc/47/42/38/491474238.db2.gz UXPUZVYAHQXGBM-UHFFFAOYSA-N 2 1 350.438 0.490 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)C1 ZINC000574150754 491477390 /nfs/dbraw/zinc/47/73/90/491477390.db2.gz GAPROAOESGNZDY-MOPGFXCFSA-N 2 1 371.485 0.731 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000566973819 491478011 /nfs/dbraw/zinc/47/80/11/491478011.db2.gz HMKGJHPFRJOQIY-XQQFMLRXSA-N 2 1 352.504 0.853 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000566973819 491478014 /nfs/dbraw/zinc/47/80/14/491478014.db2.gz HMKGJHPFRJOQIY-XQQFMLRXSA-N 2 1 352.504 0.853 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000574167816 491478570 /nfs/dbraw/zinc/47/85/70/491478570.db2.gz UWMNPFUAAKREGN-ZJPYXAASSA-N 2 1 351.539 0.947 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567062556 491483695 /nfs/dbraw/zinc/48/36/95/491483695.db2.gz ANNWHVVVOIUAOY-QZTJIDSGSA-N 2 1 373.501 0.980 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cn2cc[nH+]c12 ZINC000559610320 491485509 /nfs/dbraw/zinc/48/55/09/491485509.db2.gz ACHLGDCBUXKPMC-INIZCTEOSA-N 2 1 373.457 0.790 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000574308189 491487967 /nfs/dbraw/zinc/48/79/67/491487967.db2.gz QPJSVKDGVDQJMR-QGZVFWFLSA-N 2 1 367.538 0.058 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000559759416 491496366 /nfs/dbraw/zinc/49/63/66/491496366.db2.gz HWTKQGXOTZVBAU-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000567368990 491502753 /nfs/dbraw/zinc/50/27/53/491502753.db2.gz NSUWCMXVHCPQQS-FZKCQIBNSA-N 2 1 365.522 0.696 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000574674694 491512163 /nfs/dbraw/zinc/51/21/63/491512163.db2.gz RZAYLTOSXBYGIX-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000574674694 491512164 /nfs/dbraw/zinc/51/21/64/491512164.db2.gz RZAYLTOSXBYGIX-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674694 491512166 /nfs/dbraw/zinc/51/21/66/491512166.db2.gz RZAYLTOSXBYGIX-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674694 491512169 /nfs/dbraw/zinc/51/21/69/491512169.db2.gz RZAYLTOSXBYGIX-RBSFLKMASA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCC(C)CC1 ZINC000560027499 491516621 /nfs/dbraw/zinc/51/66/21/491516621.db2.gz HLSVQNJPDSFNIF-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000574741439 491517082 /nfs/dbraw/zinc/51/70/82/491517082.db2.gz HBWJVTXNALWGAI-IRXDYDNUSA-N 2 1 353.511 0.032 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574808873 491521467 /nfs/dbraw/zinc/52/14/67/491521467.db2.gz ICBIZVMLDKRAHW-MOPGFXCFSA-N 2 1 357.502 0.800 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574808875 491521511 /nfs/dbraw/zinc/52/15/11/491521511.db2.gz ICBIZVMLDKRAHW-OALUTQOASA-N 2 1 357.502 0.800 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CCCO1 ZINC000683373595 493347983 /nfs/dbraw/zinc/34/79/83/493347983.db2.gz FPGFZRSRIDSXJG-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CCCO1 ZINC000683373595 493347986 /nfs/dbraw/zinc/34/79/86/493347986.db2.gz FPGFZRSRIDSXJG-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CCCO1 ZINC000683373595 493347989 /nfs/dbraw/zinc/34/79/89/493347989.db2.gz FPGFZRSRIDSXJG-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000567763493 491527670 /nfs/dbraw/zinc/52/76/70/491527670.db2.gz BOXAXRXIXULQFT-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000567789006 491529837 /nfs/dbraw/zinc/52/98/37/491529837.db2.gz GFWPIBODZCFMIU-ZNMIVQPWSA-N 2 1 364.494 0.648 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000567789006 491529840 /nfs/dbraw/zinc/52/98/40/491529840.db2.gz GFWPIBODZCFMIU-ZNMIVQPWSA-N 2 1 364.494 0.648 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)cc[nH+]1 ZINC000567811564 491531470 /nfs/dbraw/zinc/53/14/70/491531470.db2.gz VGNYEZVGSBVAKE-UHFFFAOYSA-N 2 1 362.478 0.478 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1)N1CC[NH2+]CC1 ZINC000574988508 491532218 /nfs/dbraw/zinc/53/22/18/491532218.db2.gz ASCLVEQWDHDZTH-KRWDZBQOSA-N 2 1 358.490 0.721 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000660404769 493348801 /nfs/dbraw/zinc/34/88/01/493348801.db2.gz OJZNHMATYQBXRZ-SFHVURJKSA-N 2 1 367.538 0.520 20 0 FCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893686 491538980 /nfs/dbraw/zinc/53/89/80/491538980.db2.gz JGDGQCPYZBZONP-IRXDYDNUSA-N 2 1 359.470 0.794 20 0 FCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC12CCOCC2 ZINC000567893686 491538981 /nfs/dbraw/zinc/53/89/81/491538981.db2.gz JGDGQCPYZBZONP-IRXDYDNUSA-N 2 1 359.470 0.794 20 0 FCADMP O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000567909572 491540726 /nfs/dbraw/zinc/54/07/26/491540726.db2.gz HBJJHGWEFGBFNA-KRWDZBQOSA-N 2 1 366.506 0.206 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000560670139 491552082 /nfs/dbraw/zinc/55/20/82/491552082.db2.gz OMKTXZWWUMFEJX-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000560728667 491553760 /nfs/dbraw/zinc/55/37/60/491553760.db2.gz RQWPKTHXQSEGDF-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000560883887 491561466 /nfs/dbraw/zinc/56/14/66/491561466.db2.gz FZVUQJHOLDEQAU-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000560883887 491561467 /nfs/dbraw/zinc/56/14/67/491561467.db2.gz FZVUQJHOLDEQAU-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560883363 491561471 /nfs/dbraw/zinc/56/14/71/491561471.db2.gz BYGROWQYKTZJRI-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560883365 491561499 /nfs/dbraw/zinc/56/14/99/491561499.db2.gz BYGROWQYKTZJRI-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560885622 491562225 /nfs/dbraw/zinc/56/22/25/491562225.db2.gz WQRRRMIZLSZHJU-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288174 491566985 /nfs/dbraw/zinc/56/69/85/491566985.db2.gz WDONRKPTRPVHHZ-LAVFITLUSA-N 2 1 371.485 0.603 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577105595 491590720 /nfs/dbraw/zinc/59/07/20/491590720.db2.gz IPHNYBJCYVLZBN-IRXDYDNUSA-N 2 1 364.490 0.053 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577105595 491590724 /nfs/dbraw/zinc/59/07/24/491590724.db2.gz IPHNYBJCYVLZBN-IRXDYDNUSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000576233926 491595839 /nfs/dbraw/zinc/59/58/39/491595839.db2.gz OBVVVKIIPYKGFA-PVAVHDDUSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000577201344 491601532 /nfs/dbraw/zinc/60/15/32/491601532.db2.gz MBPJIYNTRYCXQT-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000577201344 491601533 /nfs/dbraw/zinc/60/15/33/491601533.db2.gz MBPJIYNTRYCXQT-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000561438042 491608407 /nfs/dbraw/zinc/60/84/07/491608407.db2.gz NSSOKIQLWZWMBQ-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000561439369 491608700 /nfs/dbraw/zinc/60/87/00/491608700.db2.gz QDXBARZXMADITA-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000568802306 491610863 /nfs/dbraw/zinc/61/08/63/491610863.db2.gz LODBNMMAIKMHIM-LSDHHAIUSA-N 2 1 350.507 0.942 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000568869593 491615485 /nfs/dbraw/zinc/61/54/85/491615485.db2.gz XEQIEHSHUXNGDU-NRFANRHFSA-N 2 1 370.497 0.933 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000576538050 491623126 /nfs/dbraw/zinc/62/31/26/491623126.db2.gz ZITBXRBMZJLTSP-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000561674746 491624294 /nfs/dbraw/zinc/62/42/94/491624294.db2.gz GFNOLQPMJIVIOP-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553956 491624755 /nfs/dbraw/zinc/62/47/55/491624755.db2.gz LMIJOBSPNWPNKR-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576553956 491624758 /nfs/dbraw/zinc/62/47/58/491624758.db2.gz LMIJOBSPNWPNKR-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576553956 491624761 /nfs/dbraw/zinc/62/47/61/491624761.db2.gz LMIJOBSPNWPNKR-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000576553957 491625191 /nfs/dbraw/zinc/62/51/91/491625191.db2.gz LMIJOBSPNWPNKR-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576553957 491625194 /nfs/dbraw/zinc/62/51/94/491625194.db2.gz LMIJOBSPNWPNKR-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576553957 491625196 /nfs/dbraw/zinc/62/51/96/491625196.db2.gz LMIJOBSPNWPNKR-UYAOXDASSA-N 2 1 361.486 0.586 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000577515069 491628355 /nfs/dbraw/zinc/62/83/55/491628355.db2.gz SRTHTHJNIMAQEA-YESZJQIVSA-N 2 1 366.506 0.333 20 0 FCADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)C1 ZINC000561745877 491628511 /nfs/dbraw/zinc/62/85/11/491628511.db2.gz CEECOHCXTXZGHS-YLFCFFPRSA-N 2 1 350.507 0.585 20 0 FCADMP Cc1cc(N2CCC(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000576633958 491631740 /nfs/dbraw/zinc/63/17/40/491631740.db2.gz SJACYIYMDLAGPY-MRXNPFEDSA-N 2 1 374.489 0.437 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000577554957 491631897 /nfs/dbraw/zinc/63/18/97/491631897.db2.gz NSMQUCCHWVKXKV-HZPDHXFCSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000577554957 491631901 /nfs/dbraw/zinc/63/19/01/491631901.db2.gz NSMQUCCHWVKXKV-HZPDHXFCSA-N 2 1 366.506 0.370 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000577554957 491631905 /nfs/dbraw/zinc/63/19/05/491631905.db2.gz NSMQUCCHWVKXKV-HZPDHXFCSA-N 2 1 366.506 0.370 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000569087091 491632294 /nfs/dbraw/zinc/63/22/94/491632294.db2.gz JVYRQAMJOOBNQO-CYBMUJFWSA-N 2 1 352.504 0.727 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000569087091 491632295 /nfs/dbraw/zinc/63/22/95/491632295.db2.gz JVYRQAMJOOBNQO-CYBMUJFWSA-N 2 1 352.504 0.727 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000577672586 491641768 /nfs/dbraw/zinc/64/17/68/491641768.db2.gz XQKPTHMNPIOANN-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000577672586 491641769 /nfs/dbraw/zinc/64/17/69/491641769.db2.gz XQKPTHMNPIOANN-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000577672586 491641770 /nfs/dbraw/zinc/64/17/70/491641770.db2.gz XQKPTHMNPIOANN-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000561997897 491644868 /nfs/dbraw/zinc/64/48/68/491644868.db2.gz XROVUMXUPSVTTI-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997897 491644870 /nfs/dbraw/zinc/64/48/70/491644870.db2.gz XROVUMXUPSVTTI-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997897 491644872 /nfs/dbraw/zinc/64/48/72/491644872.db2.gz XROVUMXUPSVTTI-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000562001521 491646044 /nfs/dbraw/zinc/64/60/44/491646044.db2.gz MFSPLZUGPFVVAG-JKSUJKDBSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000562001521 491646042 /nfs/dbraw/zinc/64/60/42/491646042.db2.gz MFSPLZUGPFVVAG-JKSUJKDBSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000577725344 491646082 /nfs/dbraw/zinc/64/60/82/491646082.db2.gz NDOXYQXJMDIWLR-YVSFHVDLSA-N 2 1 366.506 0.345 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)[C@@H]2CC[C@H](C)C2)C1 ZINC000562038156 491650201 /nfs/dbraw/zinc/65/02/01/491650201.db2.gz LLDABTCZUGDYGA-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)C1 ZINC000562038156 491650204 /nfs/dbraw/zinc/65/02/04/491650204.db2.gz LLDABTCZUGDYGA-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)C1 ZINC000562038156 491650207 /nfs/dbraw/zinc/65/02/07/491650207.db2.gz LLDABTCZUGDYGA-RCCFBDPRSA-N 2 1 355.523 0.942 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000576855611 491651308 /nfs/dbraw/zinc/65/13/08/491651308.db2.gz ITDGAASJDCZVIZ-MRXNPFEDSA-N 2 1 365.478 0.542 20 0 FCADMP CN1C[C@H]([NH+](C)CCOCC[N@H+](C)[C@@H]2CCC(=O)N(C)C2)CCC1=O ZINC000576886626 491654573 /nfs/dbraw/zinc/65/45/73/491654573.db2.gz ZLSHKHGDALONDQ-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1 ZINC000576965810 491661218 /nfs/dbraw/zinc/66/12/18/491661218.db2.gz YOXJVAVDJHYYDZ-VIBAHUMZSA-N 2 1 360.458 0.795 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1 ZINC000576965810 491661219 /nfs/dbraw/zinc/66/12/19/491661219.db2.gz YOXJVAVDJHYYDZ-VIBAHUMZSA-N 2 1 360.458 0.795 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000577955750 491665601 /nfs/dbraw/zinc/66/56/01/491665601.db2.gz GREGELHLQLWFTJ-WMZOPIPTSA-N 2 1 352.523 0.805 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000577955748 491665668 /nfs/dbraw/zinc/66/56/68/491665668.db2.gz GREGELHLQLWFTJ-FUHWJXTLSA-N 2 1 352.523 0.805 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251755 491673335 /nfs/dbraw/zinc/67/33/35/491673335.db2.gz ODUYYNJZTRMZRL-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251755 491673336 /nfs/dbraw/zinc/67/33/36/491673336.db2.gz ODUYYNJZTRMZRL-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251755 491673337 /nfs/dbraw/zinc/67/33/37/491673337.db2.gz ODUYYNJZTRMZRL-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000578348543 491675302 /nfs/dbraw/zinc/67/53/02/491675302.db2.gz PCHZALJSBVMDAP-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000578348544 491675343 /nfs/dbraw/zinc/67/53/43/491675343.db2.gz PCHZALJSBVMDAP-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578354035 491675481 /nfs/dbraw/zinc/67/54/81/491675481.db2.gz HGVAMTGKWKQUGH-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578354035 491675482 /nfs/dbraw/zinc/67/54/82/491675482.db2.gz HGVAMTGKWKQUGH-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000578745401 491683308 /nfs/dbraw/zinc/68/33/08/491683308.db2.gz RZPZTIYCQWZCKE-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000578985426 491688390 /nfs/dbraw/zinc/68/83/90/491688390.db2.gz SQGPRLOUOPZGTO-QLFBSQMISA-N 2 1 350.467 0.259 20 0 FCADMP CNC(=O)CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000579097570 491690841 /nfs/dbraw/zinc/69/08/41/491690841.db2.gz OWNHBZHLBDESRE-MRXNPFEDSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000579097570 491690843 /nfs/dbraw/zinc/69/08/43/491690843.db2.gz OWNHBZHLBDESRE-MRXNPFEDSA-N 2 1 351.495 0.513 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000579392502 491697182 /nfs/dbraw/zinc/69/71/82/491697182.db2.gz CSLMTZQDJMBMTO-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(C)C ZINC000579411226 491697391 /nfs/dbraw/zinc/69/73/91/491697391.db2.gz JZKSHHRDIYXLDH-SFHVURJKSA-N 2 1 369.506 0.735 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579491904 491699098 /nfs/dbraw/zinc/69/90/98/491699098.db2.gz QMMAKQQHLYTTOD-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579491904 491699099 /nfs/dbraw/zinc/69/90/99/491699099.db2.gz QMMAKQQHLYTTOD-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP CC[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000584579641 491708264 /nfs/dbraw/zinc/70/82/64/491708264.db2.gz WBCFUQCAIJQEHD-SFHVURJKSA-N 2 1 373.501 0.554 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936349 491710038 /nfs/dbraw/zinc/71/00/38/491710038.db2.gz FSWIWODCIMRCOP-DOTOQJQBSA-N 2 1 362.474 0.247 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936349 491710039 /nfs/dbraw/zinc/71/00/39/491710039.db2.gz FSWIWODCIMRCOP-DOTOQJQBSA-N 2 1 362.474 0.247 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000584769910 491713587 /nfs/dbraw/zinc/71/35/87/491713587.db2.gz DXCLESRJDIORFF-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000584769910 491713588 /nfs/dbraw/zinc/71/35/88/491713588.db2.gz DXCLESRJDIORFF-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580053989 491715058 /nfs/dbraw/zinc/71/50/58/491715058.db2.gz SUDNXAPAMMZIMF-RYRKJORJSA-N 2 1 362.518 0.968 20 0 FCADMP CCOC(=O)c1ccc(N2CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC2)nc1 ZINC000580200861 491721252 /nfs/dbraw/zinc/72/12/52/491721252.db2.gz NFIGFLGPGHASGT-SFHVURJKSA-N 2 1 350.463 0.741 20 0 FCADMP CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC2)nc1 ZINC000580200861 491721253 /nfs/dbraw/zinc/72/12/53/491721253.db2.gz NFIGFLGPGHASGT-SFHVURJKSA-N 2 1 350.463 0.741 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580294070 491724493 /nfs/dbraw/zinc/72/44/93/491724493.db2.gz QXNLZKFAVCAKRH-LUKYLMHMSA-N 2 1 362.518 0.824 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000580311449 491725468 /nfs/dbraw/zinc/72/54/68/491725468.db2.gz KQVLWJJYGCHNLA-HOCLYGCPSA-N 2 1 350.507 0.633 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000580311450 491725493 /nfs/dbraw/zinc/72/54/93/491725493.db2.gz KQVLWJJYGCHNLA-ZBFHGGJFSA-N 2 1 350.507 0.633 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)NCC(F)F)CC2)CC1 ZINC000580464068 491732241 /nfs/dbraw/zinc/73/22/41/491732241.db2.gz IHHJFMPPAFOSOW-UHFFFAOYSA-N 2 1 360.449 0.680 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000580765388 491744867 /nfs/dbraw/zinc/74/48/67/491744867.db2.gz IWZGBOBPAQHTOG-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000580765388 491744869 /nfs/dbraw/zinc/74/48/69/491744869.db2.gz IWZGBOBPAQHTOG-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000580765388 491744870 /nfs/dbraw/zinc/74/48/70/491744870.db2.gz IWZGBOBPAQHTOG-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000580812556 491746752 /nfs/dbraw/zinc/74/67/52/491746752.db2.gz CKOXGLYRPDSURF-UHFFFAOYSA-N 2 1 368.570 0.339 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000580812556 491746753 /nfs/dbraw/zinc/74/67/53/491746753.db2.gz CKOXGLYRPDSURF-UHFFFAOYSA-N 2 1 368.570 0.339 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000580812556 491746754 /nfs/dbraw/zinc/74/67/54/491746754.db2.gz CKOXGLYRPDSURF-UHFFFAOYSA-N 2 1 368.570 0.339 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000588981617 491752990 /nfs/dbraw/zinc/75/29/90/491752990.db2.gz JKEMDTJXARKWFH-GOSISDBHSA-N 2 1 368.522 0.994 20 0 FCADMP O=C(NCC[N@H+]1CC=CCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000581296057 491767489 /nfs/dbraw/zinc/76/74/89/491767489.db2.gz WSNPSPYHYDAHIH-UHFFFAOYSA-N 2 1 352.479 0.429 20 0 FCADMP O=C(NCC[N@@H+]1CC=CCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000581296057 491767492 /nfs/dbraw/zinc/76/74/92/491767492.db2.gz WSNPSPYHYDAHIH-UHFFFAOYSA-N 2 1 352.479 0.429 20 0 FCADMP CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000581726768 491784400 /nfs/dbraw/zinc/78/44/00/491784400.db2.gz FOLDBBFEPBAURV-IKGGRYGDSA-N 2 1 355.504 0.179 20 0 FCADMP CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000581726768 491784401 /nfs/dbraw/zinc/78/44/01/491784401.db2.gz FOLDBBFEPBAURV-IKGGRYGDSA-N 2 1 355.504 0.179 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585251 493364249 /nfs/dbraw/zinc/36/42/49/493364249.db2.gz PHEFXHWJJNDHDP-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)O1 ZINC000582063824 491796540 /nfs/dbraw/zinc/79/65/40/491796540.db2.gz JDYULGJZXUCODI-MSOLQXFVSA-N 2 1 362.474 0.639 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)S(C)(=O)=O ZINC000582122846 491799158 /nfs/dbraw/zinc/79/91/58/491799158.db2.gz GVTQKLFVFAVPKU-JYJNAYRXSA-N 2 1 374.551 0.222 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000591411742 491805062 /nfs/dbraw/zinc/80/50/62/491805062.db2.gz INJWTPCSXLAGTE-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000591411742 491805065 /nfs/dbraw/zinc/80/50/65/491805065.db2.gz INJWTPCSXLAGTE-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000591411742 491805066 /nfs/dbraw/zinc/80/50/66/491805066.db2.gz INJWTPCSXLAGTE-OAGGEKHMSA-N 2 1 351.495 0.500 20 0 FCADMP Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)CCC2 ZINC000582383257 491810145 /nfs/dbraw/zinc/81/01/45/491810145.db2.gz SSVVLVTUFUGWAF-JKSUJKDBSA-N 2 1 361.490 0.984 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000582414630 491811390 /nfs/dbraw/zinc/81/13/90/491811390.db2.gz QRRXXLZTFOWGDN-MOPGFXCFSA-N 2 1 370.497 0.789 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000582434709 491812411 /nfs/dbraw/zinc/81/24/11/491812411.db2.gz HSUXFYHEJKINGR-IIYDPXPESA-N 2 1 354.520 0.281 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000583199480 491840037 /nfs/dbraw/zinc/84/00/37/491840037.db2.gz QUPQCHFXEYEKDW-INIZCTEOSA-N 2 1 369.893 0.971 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000583313279 491842173 /nfs/dbraw/zinc/84/21/73/491842173.db2.gz DSYJDFRMGKGSPG-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000583313279 491842174 /nfs/dbraw/zinc/84/21/74/491842174.db2.gz DSYJDFRMGKGSPG-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000583555161 491847412 /nfs/dbraw/zinc/84/74/12/491847412.db2.gz GKSAIMJQXRCMJN-XGUBFFRZSA-N 2 1 352.479 0.301 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]21 ZINC000583565343 491847652 /nfs/dbraw/zinc/84/76/52/491847652.db2.gz AGJWTMBUWWCSBP-HRCADAONSA-N 2 1 360.458 0.623 20 0 FCADMP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000583628255 491848863 /nfs/dbraw/zinc/84/88/63/491848863.db2.gz VKIRWSKAGKZFQO-INIZCTEOSA-N 2 1 354.882 0.942 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000583708441 491850565 /nfs/dbraw/zinc/85/05/65/491850565.db2.gz XVKHWLGAVFCALJ-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000583899210 491854403 /nfs/dbraw/zinc/85/44/03/491854403.db2.gz FTVMBJKKBNXWPM-HNNXBMFYSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000583899210 491854404 /nfs/dbraw/zinc/85/44/04/491854404.db2.gz FTVMBJKKBNXWPM-HNNXBMFYSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(CC(F)F)C(=O)[C@H]1CCC[NH+]1C ZINC000584003927 491856307 /nfs/dbraw/zinc/85/63/07/491856307.db2.gz ULZFZQHYPSPXEJ-BFHYXJOUSA-N 2 1 360.449 0.773 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)N(CC(F)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC000584003927 491856308 /nfs/dbraw/zinc/85/63/08/491856308.db2.gz ULZFZQHYPSPXEJ-BFHYXJOUSA-N 2 1 360.449 0.773 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)N(CC(F)F)C(=O)[C@H]1CCC[N@H+]1C ZINC000584003927 491856309 /nfs/dbraw/zinc/85/63/09/491856309.db2.gz ULZFZQHYPSPXEJ-BFHYXJOUSA-N 2 1 360.449 0.773 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881724 491870741 /nfs/dbraw/zinc/87/07/41/491870741.db2.gz GWKYYCKEALDNJF-YESZJQIVSA-N 2 1 357.458 0.064 20 0 FCADMP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337829 491921777 /nfs/dbraw/zinc/92/17/77/491921777.db2.gz LRIKQQNHIHKNFT-DLBZAZTESA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1C(=O)CCC1=O ZINC000601472935 491924975 /nfs/dbraw/zinc/92/49/75/491924975.db2.gz AJSULZAVEYCUBU-ZFWWWQNUSA-N 2 1 350.463 0.151 20 0 FCADMP C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472935 491924978 /nfs/dbraw/zinc/92/49/78/491924978.db2.gz AJSULZAVEYCUBU-ZFWWWQNUSA-N 2 1 350.463 0.151 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000595970069 491966964 /nfs/dbraw/zinc/96/69/64/491966964.db2.gz JPURNYFPXVNKPT-VDHUWJSZSA-N 2 1 372.469 0.046 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000595970069 491966966 /nfs/dbraw/zinc/96/69/66/491966966.db2.gz JPURNYFPXVNKPT-VDHUWJSZSA-N 2 1 372.469 0.046 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000613422714 491981049 /nfs/dbraw/zinc/98/10/49/491981049.db2.gz JEGVIHOYJMBJDK-GOSISDBHSA-N 2 1 352.523 0.774 20 0 FCADMP Cc1nnc2n1C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2 ZINC000596313705 491983942 /nfs/dbraw/zinc/98/39/42/491983942.db2.gz VJNWPMTZFWMQFB-GOEBONIOSA-N 2 1 365.526 0.720 20 0 FCADMP Cc1nnc2n1C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000596313705 491983944 /nfs/dbraw/zinc/98/39/44/491983944.db2.gz VJNWPMTZFWMQFB-GOEBONIOSA-N 2 1 365.526 0.720 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506296 491990412 /nfs/dbraw/zinc/99/04/12/491990412.db2.gz NDSSUZXSMODVMA-UXHICEINSA-N 2 1 373.545 0.684 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CN1CC[NH2+]CC1 ZINC000602504559 491990489 /nfs/dbraw/zinc/99/04/89/491990489.db2.gz GVPHNXZFOZPGQP-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000597216215 492022865 /nfs/dbraw/zinc/02/28/65/492022865.db2.gz YCKWBKYTNGSWCA-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)C1 ZINC000604389095 492059738 /nfs/dbraw/zinc/05/97/38/492059738.db2.gz NSCRORIZWJJXBS-GOSISDBHSA-N 2 1 373.501 0.826 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)C1 ZINC000604389096 492059760 /nfs/dbraw/zinc/05/97/60/492059760.db2.gz NSCRORIZWJJXBS-SFHVURJKSA-N 2 1 373.501 0.826 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604649519 492065753 /nfs/dbraw/zinc/06/57/53/492065753.db2.gz KEUUUUQXWBIGDT-GOSISDBHSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604646564 492065955 /nfs/dbraw/zinc/06/59/55/492065955.db2.gz YTGXBEWKMAPBBD-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604668151 492067632 /nfs/dbraw/zinc/06/76/32/492067632.db2.gz SWUUBRYRNZOAPT-QZTJIDSGSA-N 2 1 367.538 0.565 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668763 492067818 /nfs/dbraw/zinc/06/78/18/492067818.db2.gz KNTCJIZEHIAMAX-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000615231637 492080277 /nfs/dbraw/zinc/08/02/77/492080277.db2.gz UBURYDFEAPXAJJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000615231637 492080279 /nfs/dbraw/zinc/08/02/79/492080279.db2.gz UBURYDFEAPXAJJ-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000605880714 492104810 /nfs/dbraw/zinc/10/48/10/492104810.db2.gz MIGPFXYRMVJOMU-OAGGEKHMSA-N 2 1 356.511 0.894 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000605880714 492104813 /nfs/dbraw/zinc/10/48/13/492104813.db2.gz MIGPFXYRMVJOMU-OAGGEKHMSA-N 2 1 356.511 0.894 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605974485 492109895 /nfs/dbraw/zinc/10/98/95/492109895.db2.gz JJCCUMUZZKOZLR-OAHLLOKOSA-N 2 1 356.536 0.835 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000606678132 492126312 /nfs/dbraw/zinc/12/63/12/492126312.db2.gz YLHVYTFALVOZIZ-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000606678132 492126313 /nfs/dbraw/zinc/12/63/13/492126313.db2.gz YLHVYTFALVOZIZ-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CCOC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606701959 492127191 /nfs/dbraw/zinc/12/71/91/492127191.db2.gz MNPXWBFUWTUTCH-RDJZCZTQSA-N 2 1 356.511 0.441 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608764689 492191933 /nfs/dbraw/zinc/19/19/33/492191933.db2.gz CGVWBOIWULUFCB-OAQYLSRUSA-N 2 1 374.529 0.719 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608764689 492191936 /nfs/dbraw/zinc/19/19/36/492191936.db2.gz CGVWBOIWULUFCB-OAQYLSRUSA-N 2 1 374.529 0.719 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608764689 492191939 /nfs/dbraw/zinc/19/19/39/492191939.db2.gz CGVWBOIWULUFCB-OAQYLSRUSA-N 2 1 374.529 0.719 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000619898622 492282235 /nfs/dbraw/zinc/28/22/35/492282235.db2.gz LQAPVJQPAINWKW-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000619897825 492282629 /nfs/dbraw/zinc/28/26/29/492282629.db2.gz BBMBUIMUGSRCBG-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000619897825 492282630 /nfs/dbraw/zinc/28/26/30/492282630.db2.gz BBMBUIMUGSRCBG-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1)N1CC[NH2+]CC1 ZINC000647486359 492295199 /nfs/dbraw/zinc/29/51/99/492295199.db2.gz GXIUPKAYVLDSSJ-QGZVFWFLSA-N 2 1 354.458 0.911 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641785236 492305581 /nfs/dbraw/zinc/30/55/81/492305581.db2.gz ZHUWFWFLMMLVKY-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641785236 492305585 /nfs/dbraw/zinc/30/55/85/492305585.db2.gz ZHUWFWFLMMLVKY-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641785236 492305589 /nfs/dbraw/zinc/30/55/89/492305589.db2.gz ZHUWFWFLMMLVKY-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(C)C ZINC000641824972 492310322 /nfs/dbraw/zinc/31/03/22/492310322.db2.gz OYVLXERVQCKSQZ-NEPJUHHUSA-N 2 1 364.412 0.525 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(C)C ZINC000641824972 492310324 /nfs/dbraw/zinc/31/03/24/492310324.db2.gz OYVLXERVQCKSQZ-NEPJUHHUSA-N 2 1 364.412 0.525 20 0 FCADMP CC[C@H](C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000620478560 492313218 /nfs/dbraw/zinc/31/32/18/492313218.db2.gz XYKDXCBFUBSAIT-RCCFBDPRSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000620478560 492313219 /nfs/dbraw/zinc/31/32/19/492313219.db2.gz XYKDXCBFUBSAIT-RCCFBDPRSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478560 492313220 /nfs/dbraw/zinc/31/32/20/492313220.db2.gz XYKDXCBFUBSAIT-RCCFBDPRSA-N 2 1 353.507 0.933 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000620478560 492313222 /nfs/dbraw/zinc/31/32/22/492313222.db2.gz XYKDXCBFUBSAIT-RCCFBDPRSA-N 2 1 353.507 0.933 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([N@@H+]3CC[C@H](O)C3)CC1)n2C ZINC000620481974 492314421 /nfs/dbraw/zinc/31/44/21/492314421.db2.gz ZJEANWOEAUUYQB-AWEZNQCLSA-N 2 1 372.473 0.706 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([N@H+]3CC[C@H](O)C3)CC1)n2C ZINC000620481974 492314422 /nfs/dbraw/zinc/31/44/22/492314422.db2.gz ZJEANWOEAUUYQB-AWEZNQCLSA-N 2 1 372.473 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@@H+]1C ZINC000641841655 492318469 /nfs/dbraw/zinc/31/84/69/492318469.db2.gz TYVMULOOYVJFGF-KSZLIROESA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000641841655 492318470 /nfs/dbraw/zinc/31/84/70/492318470.db2.gz TYVMULOOYVJFGF-KSZLIROESA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000641841655 492318473 /nfs/dbraw/zinc/31/84/73/492318473.db2.gz TYVMULOOYVJFGF-KSZLIROESA-N 2 1 367.538 0.517 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194118 492340243 /nfs/dbraw/zinc/34/02/43/492340243.db2.gz XRJJUTZKGQNQNN-LISAXSMJSA-N 2 1 362.518 0.966 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642253932 492345983 /nfs/dbraw/zinc/34/59/83/492345983.db2.gz RGYFVILNFDCELN-QZTJIDSGSA-N 2 1 374.485 0.119 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642253915 492345995 /nfs/dbraw/zinc/34/59/95/492345995.db2.gz QISVQODXIIXFPQ-QZTJIDSGSA-N 2 1 374.485 0.201 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642262600 492347160 /nfs/dbraw/zinc/34/71/60/492347160.db2.gz KABAKNQXPFIGGC-YQQAZPJKSA-N 2 1 362.474 0.198 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000642394722 492357215 /nfs/dbraw/zinc/35/72/15/492357215.db2.gz GLTLIWDHGASANO-NPJQDHAYSA-N 2 1 366.506 0.186 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000642394722 492357217 /nfs/dbraw/zinc/35/72/17/492357217.db2.gz GLTLIWDHGASANO-NPJQDHAYSA-N 2 1 366.506 0.186 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642495871 492360285 /nfs/dbraw/zinc/36/02/85/492360285.db2.gz ZCHUBKAVBNGFDG-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634707851 492362127 /nfs/dbraw/zinc/36/21/27/492362127.db2.gz MLSHDTADYDMRCF-FXAWDEMLSA-N 2 1 371.485 0.966 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634707851 492362130 /nfs/dbraw/zinc/36/21/30/492362130.db2.gz MLSHDTADYDMRCF-FXAWDEMLSA-N 2 1 371.485 0.966 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835049 492369184 /nfs/dbraw/zinc/36/91/84/492369184.db2.gz KKNVOQMTFRZECG-HZPDHXFCSA-N 2 1 362.474 0.168 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835049 492369187 /nfs/dbraw/zinc/36/91/87/492369187.db2.gz KKNVOQMTFRZECG-HZPDHXFCSA-N 2 1 362.474 0.168 20 0 FCADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000647855824 492371621 /nfs/dbraw/zinc/37/16/21/492371621.db2.gz WIJIOXKLJHCHPD-UHFFFAOYSA-N 2 1 368.503 0.902 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)CCC(F)(F)F ZINC000642680541 492372736 /nfs/dbraw/zinc/37/27/36/492372736.db2.gz WNHKKVWTLLYGFC-QWHCGFSZSA-N 2 1 364.412 0.587 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)CCC(F)(F)F ZINC000642680541 492372738 /nfs/dbraw/zinc/37/27/38/492372738.db2.gz WNHKKVWTLLYGFC-QWHCGFSZSA-N 2 1 364.412 0.587 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642723180 492379406 /nfs/dbraw/zinc/37/94/06/492379406.db2.gz VOWDANWUDVRXBD-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642723180 492379409 /nfs/dbraw/zinc/37/94/09/492379409.db2.gz VOWDANWUDVRXBD-CRAIPNDOSA-N 2 1 358.486 0.747 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744838 492384259 /nfs/dbraw/zinc/38/42/59/492384259.db2.gz DECUKLBNVAAGMI-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744838 492384261 /nfs/dbraw/zinc/38/42/61/492384261.db2.gz DECUKLBNVAAGMI-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744979 492384508 /nfs/dbraw/zinc/38/45/08/492384508.db2.gz VSGJYJNWEPOJOB-CRAIPNDOSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744979 492384512 /nfs/dbraw/zinc/38/45/12/492384512.db2.gz VSGJYJNWEPOJOB-CRAIPNDOSA-N 2 1 374.485 0.260 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744842 492384533 /nfs/dbraw/zinc/38/45/33/492384533.db2.gz DECUKLBNVAAGMI-WBVHZDCISA-N 2 1 362.474 0.070 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744842 492384537 /nfs/dbraw/zinc/38/45/37/492384537.db2.gz DECUKLBNVAAGMI-WBVHZDCISA-N 2 1 362.474 0.070 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1C[NH+](C2CCCCC2)C1 ZINC000654980191 492388261 /nfs/dbraw/zinc/38/82/61/492388261.db2.gz AHPACNLAKKGZKD-GOSISDBHSA-N 2 1 364.534 0.774 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975858 492388760 /nfs/dbraw/zinc/38/87/60/492388760.db2.gz GXWNFOMBLPUSIA-IRXDYDNUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976677 492390409 /nfs/dbraw/zinc/39/04/09/492390409.db2.gz RVZAHGCPERDCCS-HYVNUMGLSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000642785806 492391820 /nfs/dbraw/zinc/39/18/20/492391820.db2.gz LZLCTXSKOAVNPG-KURKYZTESA-N 2 1 362.518 0.968 20 0 FCADMP CC(=O)N1CC[C@@H](NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000621580652 492393988 /nfs/dbraw/zinc/39/39/88/492393988.db2.gz PIZLRBMMPHNQTN-WBVHZDCISA-N 2 1 351.495 0.417 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000642808937 492396594 /nfs/dbraw/zinc/39/65/94/492396594.db2.gz KKLXLNSGXNBRHR-WBVHZDCISA-N 2 1 364.465 0.960 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000642808975 492396814 /nfs/dbraw/zinc/39/68/14/492396814.db2.gz WKHKAQFBILVKQH-INIZCTEOSA-N 2 1 350.438 0.632 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000642898815 492398337 /nfs/dbraw/zinc/39/83/37/492398337.db2.gz PTZXYELMYYMLLB-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000642902138 492399360 /nfs/dbraw/zinc/39/93/60/492399360.db2.gz LCFKLKGPOQSBTC-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000642910248 492402113 /nfs/dbraw/zinc/40/21/13/492402113.db2.gz BROIFVOSVZIQMQ-USXIJHARSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000642911641 492402214 /nfs/dbraw/zinc/40/22/14/492402214.db2.gz MAVUVLIYSFTUGC-NNXHMXCWSA-N 2 1 366.506 0.473 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000642911641 492402218 /nfs/dbraw/zinc/40/22/18/492402218.db2.gz MAVUVLIYSFTUGC-NNXHMXCWSA-N 2 1 366.506 0.473 20 0 FCADMP CC1([NH3+])CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000648121330 492403050 /nfs/dbraw/zinc/40/30/50/492403050.db2.gz DHOMOWWFRXNCOH-HNNXBMFYSA-N 2 1 352.479 0.040 20 0 FCADMP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[C@@H]1[NH3+] ZINC000648126521 492403885 /nfs/dbraw/zinc/40/38/85/492403885.db2.gz LQUPAOLVSRIJRM-IKGGRYGDSA-N 2 1 366.506 0.286 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000648130323 492404224 /nfs/dbraw/zinc/40/42/24/492404224.db2.gz ZDCVRFVYBKCUER-IAGOWNOFSA-N 2 1 366.506 0.287 20 0 FCADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000648130138 492404553 /nfs/dbraw/zinc/40/45/53/492404553.db2.gz KLQRWIQVVIIXME-CZUORRHYSA-N 2 1 356.430 0.608 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924109 492404836 /nfs/dbraw/zinc/40/48/36/492404836.db2.gz LDKMSKBTQVCAPF-SJLPKXTDSA-N 2 1 356.470 0.588 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000642960163 492407518 /nfs/dbraw/zinc/40/75/18/492407518.db2.gz DRRXQBZBXMFAKX-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000642980599 492410039 /nfs/dbraw/zinc/41/00/39/492410039.db2.gz IBYPDXPWYYIIQT-SFHVURJKSA-N 2 1 358.486 0.632 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000643013071 492414597 /nfs/dbraw/zinc/41/45/97/492414597.db2.gz SIXZOSJIIBRQRI-GRBKSZCHSA-N 2 1 374.529 0.809 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621838590 492421630 /nfs/dbraw/zinc/42/16/30/492421630.db2.gz GGSYZFBOOLFZQD-ZHEXZJMTSA-N 2 1 350.507 0.809 20 0 FCADMP O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643252651 492435282 /nfs/dbraw/zinc/43/52/82/492435282.db2.gz OTOFYHFAPQEUDA-IBGZPJMESA-N 2 1 357.458 0.747 20 0 FCADMP O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643252651 492435285 /nfs/dbraw/zinc/43/52/85/492435285.db2.gz OTOFYHFAPQEUDA-IBGZPJMESA-N 2 1 357.458 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028519 492443744 /nfs/dbraw/zinc/44/37/44/492443744.db2.gz RHKKFJUWRCPXHN-ZRGWGRIASA-N 2 1 364.490 0.038 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622029305 492444070 /nfs/dbraw/zinc/44/40/70/492444070.db2.gz DMNUTDWQQJIIPR-BEFAXECRSA-N 2 1 366.506 0.143 20 0 FCADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000643419444 492454532 /nfs/dbraw/zinc/45/45/32/492454532.db2.gz IXVSCHULAMRAEH-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000643419444 492454533 /nfs/dbraw/zinc/45/45/33/492454533.db2.gz IXVSCHULAMRAEH-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000643419444 492454535 /nfs/dbraw/zinc/45/45/35/492454535.db2.gz IXVSCHULAMRAEH-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635472953 492454631 /nfs/dbraw/zinc/45/46/31/492454631.db2.gz ISPMQKANJIWKRA-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648780273 492455415 /nfs/dbraw/zinc/45/54/15/492455415.db2.gz ZYHUWIHEIACCHI-HHARLNAUSA-N 2 1 352.523 0.924 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648780273 492455417 /nfs/dbraw/zinc/45/54/17/492455417.db2.gz ZYHUWIHEIACCHI-HHARLNAUSA-N 2 1 352.523 0.924 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648780273 492455419 /nfs/dbraw/zinc/45/54/19/492455419.db2.gz ZYHUWIHEIACCHI-HHARLNAUSA-N 2 1 352.523 0.924 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655556303 492456696 /nfs/dbraw/zinc/45/66/96/492456696.db2.gz HLOYDYJRSHFXAX-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655556303 492456697 /nfs/dbraw/zinc/45/66/97/492456697.db2.gz HLOYDYJRSHFXAX-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655556303 492456699 /nfs/dbraw/zinc/45/66/99/492456699.db2.gz HLOYDYJRSHFXAX-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512574 492462857 /nfs/dbraw/zinc/46/28/57/492462857.db2.gz OAHIQUKEALONEW-ZWKOTPCHSA-N 2 1 350.507 0.478 20 0 FCADMP C[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000648862536 492466599 /nfs/dbraw/zinc/46/65/99/492466599.db2.gz QHVLJFIGQVAUCR-CZUORRHYSA-N 2 1 368.503 0.805 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635561611 492472044 /nfs/dbraw/zinc/47/20/44/492472044.db2.gz SQXCKTZYYTUGPR-KRWDZBQOSA-N 2 1 354.539 0.735 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643483680 492477891 /nfs/dbraw/zinc/47/78/91/492477891.db2.gz BHWPOCVDIVWOHU-OTWHNJEPSA-N 2 1 370.497 0.930 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000655804214 492481143 /nfs/dbraw/zinc/48/11/43/492481143.db2.gz OWEJOANDJMAGJP-UHFFFAOYSA-N 2 1 366.506 0.819 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000655804214 492481147 /nfs/dbraw/zinc/48/11/47/492481147.db2.gz OWEJOANDJMAGJP-UHFFFAOYSA-N 2 1 366.506 0.819 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643494346 492481681 /nfs/dbraw/zinc/48/16/81/492481681.db2.gz YPNXYPVFRJBXHI-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498019 492483006 /nfs/dbraw/zinc/48/30/06/492483006.db2.gz IKBMGINTKRLBQL-ALYAQQCSSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000643498019 492483009 /nfs/dbraw/zinc/48/30/09/492483009.db2.gz IKBMGINTKRLBQL-ALYAQQCSSA-N 2 1 366.506 0.282 20 0 FCADMP CC(=O)N1CC[NH+]([C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C)CC1 ZINC000635659959 492488194 /nfs/dbraw/zinc/48/81/94/492488194.db2.gz BMGZYSCJRLWPIU-WMZOPIPTSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643523039 492490208 /nfs/dbraw/zinc/49/02/08/492490208.db2.gz VSMDOWCEKPFIBK-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643523039 492490211 /nfs/dbraw/zinc/49/02/11/492490211.db2.gz VSMDOWCEKPFIBK-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC[NH2+]1 ZINC000643530062 492491002 /nfs/dbraw/zinc/49/10/02/492491002.db2.gz FDHRDPIZBZZQID-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCO1 ZINC000643531797 492491454 /nfs/dbraw/zinc/49/14/54/492491454.db2.gz LRCARXOKQHFKJE-CGTJXYLNSA-N 2 1 374.485 0.294 20 0 FCADMP [NH3+]C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(F)(F)F ZINC000655931505 492492028 /nfs/dbraw/zinc/49/20/28/492492028.db2.gz KIWLODFDTBHZCV-NSHDSACASA-N 2 1 354.373 0.057 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000643539493 492493480 /nfs/dbraw/zinc/49/34/80/492493480.db2.gz PGIWLUNDFWZSCC-HOTGVXAUSA-N 2 1 368.522 0.389 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643539525 492493951 /nfs/dbraw/zinc/49/39/51/492493951.db2.gz TVPRLSHUQRJLFE-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643544153 492495136 /nfs/dbraw/zinc/49/51/36/492495136.db2.gz RMAZXDWZFGIZIB-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)CC[N@@H+]1CCOC ZINC000643545019 492496320 /nfs/dbraw/zinc/49/63/20/492496320.db2.gz OFYKKMJUQUURBJ-ZACQAIPSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)CC[N@H+]1CCOC ZINC000643545019 492496325 /nfs/dbraw/zinc/49/63/25/492496325.db2.gz OFYKKMJUQUURBJ-ZACQAIPSSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1CCOC ZINC000643545008 492496451 /nfs/dbraw/zinc/49/64/51/492496451.db2.gz LOJICYVIPVMYRH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1CCOC ZINC000643545008 492496454 /nfs/dbraw/zinc/49/64/54/492496454.db2.gz LOJICYVIPVMYRH-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)CC(O)CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000649084393 492496820 /nfs/dbraw/zinc/49/68/20/492496820.db2.gz YKDPSCATRBPEDF-HZPDHXFCSA-N 2 1 368.522 0.044 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000643549829 492496899 /nfs/dbraw/zinc/49/68/99/492496899.db2.gz TYUXYZCLUDBRLG-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC[C@H]21 ZINC000643549679 492497027 /nfs/dbraw/zinc/49/70/27/492497027.db2.gz BALZTOZFWYSCRN-SJLPKXTDSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643577394 492500008 /nfs/dbraw/zinc/50/00/08/492500008.db2.gz CAYJUZYJDRSZDX-MANSERQUSA-N 2 1 370.497 0.567 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643577394 492500011 /nfs/dbraw/zinc/50/00/11/492500011.db2.gz CAYJUZYJDRSZDX-MANSERQUSA-N 2 1 370.497 0.567 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643567605 492500043 /nfs/dbraw/zinc/50/00/43/492500043.db2.gz XOJUIBXNLIDIDM-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643585615 492500724 /nfs/dbraw/zinc/50/07/24/492500724.db2.gz HWKBYDJOBYQRPK-QRVBRYPASA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643585615 492500726 /nfs/dbraw/zinc/50/07/26/492500726.db2.gz HWKBYDJOBYQRPK-QRVBRYPASA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643590213 492501903 /nfs/dbraw/zinc/50/19/03/492501903.db2.gz FOHDVAJEHXTZRL-OTWHNJEPSA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643590213 492501905 /nfs/dbraw/zinc/50/19/05/492501905.db2.gz FOHDVAJEHXTZRL-OTWHNJEPSA-N 2 1 370.497 0.582 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000643593364 492502998 /nfs/dbraw/zinc/50/29/98/492502998.db2.gz QYEBMIRXCDDVJN-IBGZPJMESA-N 2 1 350.507 0.779 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656028443 492521069 /nfs/dbraw/zinc/52/10/69/492521069.db2.gz LFCMMPJSRIRRIM-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649289952 492524069 /nfs/dbraw/zinc/52/40/69/492524069.db2.gz HNESKKMGWKIVAL-QGZVFWFLSA-N 2 1 370.457 0.575 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[N@H+](C)Cc3ccccc32)nn1 ZINC000649322234 492532925 /nfs/dbraw/zinc/53/29/25/492532925.db2.gz HVZUARBUFFOODP-MAUKXSAKSA-N 2 1 370.457 0.459 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[N@@H+](C)Cc3ccccc32)nn1 ZINC000649322234 492532928 /nfs/dbraw/zinc/53/29/28/492532928.db2.gz HVZUARBUFFOODP-MAUKXSAKSA-N 2 1 370.457 0.459 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@H+]1CCOC ZINC000649325175 492534086 /nfs/dbraw/zinc/53/40/86/492534086.db2.gz LECXYNOGZWXBRQ-NXHRZFHOSA-N 2 1 363.506 0.601 20 0 FCADMP Cc1cc(N2CCC(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)nc(C)[nH+]1 ZINC000649345591 492541912 /nfs/dbraw/zinc/54/19/12/492541912.db2.gz GKIYSAGTRVYMNV-HNNXBMFYSA-N 2 1 370.461 0.618 20 0 FCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000649416573 492553627 /nfs/dbraw/zinc/55/36/27/492553627.db2.gz FBTAGUXJYJRFKT-HZPDHXFCSA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000649416573 492553630 /nfs/dbraw/zinc/55/36/30/492553630.db2.gz FBTAGUXJYJRFKT-HZPDHXFCSA-N 2 1 367.538 0.105 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656150502 492557462 /nfs/dbraw/zinc/55/74/62/492557462.db2.gz VYATUOBEXIBVCH-OWCLPIDISA-N 2 1 351.495 0.765 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000623635304 492576672 /nfs/dbraw/zinc/57/66/72/492576672.db2.gz CCEONANROKZEPQ-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000656307854 492582121 /nfs/dbraw/zinc/58/21/21/492582121.db2.gz XBYBSQUBKUBIIL-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000656307854 492582124 /nfs/dbraw/zinc/58/21/24/492582124.db2.gz XBYBSQUBKUBIIL-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000656308166 492582515 /nfs/dbraw/zinc/58/25/15/492582515.db2.gz YNGQIGUAEZGKKD-USXIJHARSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000629176628 492584105 /nfs/dbraw/zinc/58/41/05/492584105.db2.gz VZUFRUUDBZFJAL-LJQANCHMSA-N 2 1 361.486 0.687 20 0 FCADMP C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000623728587 492588500 /nfs/dbraw/zinc/58/85/00/492588500.db2.gz RODPAWLAFOOMDI-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000623728587 492588503 /nfs/dbraw/zinc/58/85/03/492588503.db2.gz RODPAWLAFOOMDI-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000623728587 492588507 /nfs/dbraw/zinc/58/85/07/492588507.db2.gz RODPAWLAFOOMDI-QZTJIDSGSA-N 2 1 367.538 0.424 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000636458681 492590949 /nfs/dbraw/zinc/59/09/49/492590949.db2.gz MOJVXWKKDFHMCN-GOSISDBHSA-N 2 1 358.486 0.896 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354718 492608632 /nfs/dbraw/zinc/60/86/32/492608632.db2.gz GRMJTXBWPJZHAY-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354718 492608636 /nfs/dbraw/zinc/60/86/36/492608636.db2.gz GRMJTXBWPJZHAY-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354718 492608639 /nfs/dbraw/zinc/60/86/39/492608639.db2.gz GRMJTXBWPJZHAY-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354718 492608643 /nfs/dbraw/zinc/60/86/43/492608643.db2.gz GRMJTXBWPJZHAY-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629802777 492680757 /nfs/dbraw/zinc/68/07/57/492680757.db2.gz PTGXWFZTNUQZAW-YPMHNXCESA-N 2 1 364.412 0.525 20 0 FCADMP COC1CC[NH+](C2(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)CCCC2)CC1 ZINC000636748761 492681006 /nfs/dbraw/zinc/68/10/06/492681006.db2.gz BRMRNQAFXQLKRM-MRXNPFEDSA-N 2 1 368.522 0.776 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629809279 492683036 /nfs/dbraw/zinc/68/30/36/492683036.db2.gz PBQAURXEOAWDKP-RWMBFGLXSA-N 2 1 364.412 0.525 20 0 FCADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651006181 492693817 /nfs/dbraw/zinc/69/38/17/492693817.db2.gz AIQXGEYKAODXPG-GOSISDBHSA-N 2 1 359.474 0.758 20 0 FCADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651006181 492693821 /nfs/dbraw/zinc/69/38/21/492693821.db2.gz AIQXGEYKAODXPG-GOSISDBHSA-N 2 1 359.474 0.758 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644444324 492756156 /nfs/dbraw/zinc/75/61/56/492756156.db2.gz VZMQCVXVYBXWFR-ZNMIVQPWSA-N 2 1 350.467 0.554 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC000644497334 492773380 /nfs/dbraw/zinc/77/33/80/492773380.db2.gz DMAFSKNANRULLF-ZACQAIPSSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1(C)C ZINC000644497334 492773384 /nfs/dbraw/zinc/77/33/84/492773384.db2.gz DMAFSKNANRULLF-ZACQAIPSSA-N 2 1 367.538 0.299 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1(C)C ZINC000644497334 492773387 /nfs/dbraw/zinc/77/33/87/492773387.db2.gz DMAFSKNANRULLF-ZACQAIPSSA-N 2 1 367.538 0.299 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000644539417 492783746 /nfs/dbraw/zinc/78/37/46/492783746.db2.gz IQYLUERTQZJXNF-OAHLLOKOSA-N 2 1 353.488 0.637 20 0 FCADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000631247577 492806340 /nfs/dbraw/zinc/80/63/40/492806340.db2.gz YYFDOCHKBQEDHN-SFHVURJKSA-N 2 1 362.522 0.685 20 0 FCADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631247577 492806346 /nfs/dbraw/zinc/80/63/46/492806346.db2.gz YYFDOCHKBQEDHN-SFHVURJKSA-N 2 1 362.522 0.685 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@H]21 ZINC000657870157 492806626 /nfs/dbraw/zinc/80/66/26/492806626.db2.gz DXFWTCHAISJBSO-SJLPKXTDSA-N 2 1 371.485 0.673 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000657873548 492807696 /nfs/dbraw/zinc/80/76/96/492807696.db2.gz KIZAPDSKVMZZBA-IBGZPJMESA-N 2 1 357.458 0.284 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373159 492813494 /nfs/dbraw/zinc/81/34/94/492813494.db2.gz NHHUBFXJHLTQDA-MAUKXSAKSA-N 2 1 351.495 0.454 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373159 492813498 /nfs/dbraw/zinc/81/34/98/492813498.db2.gz NHHUBFXJHLTQDA-MAUKXSAKSA-N 2 1 351.495 0.454 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)C1 ZINC000637373159 492813503 /nfs/dbraw/zinc/81/35/03/492813503.db2.gz NHHUBFXJHLTQDA-MAUKXSAKSA-N 2 1 351.495 0.454 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376806 492815564 /nfs/dbraw/zinc/81/55/64/492815564.db2.gz PZFPQXKHVFJSIW-INIZCTEOSA-N 2 1 369.510 0.078 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637377041 492815953 /nfs/dbraw/zinc/81/59/53/492815953.db2.gz UCBQSQUOEAIYIO-IRXDYDNUSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637377041 492815957 /nfs/dbraw/zinc/81/59/57/492815957.db2.gz UCBQSQUOEAIYIO-IRXDYDNUSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637377041 492815961 /nfs/dbraw/zinc/81/59/61/492815961.db2.gz UCBQSQUOEAIYIO-IRXDYDNUSA-N 2 1 365.522 0.700 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000637377200 492816568 /nfs/dbraw/zinc/81/65/68/492816568.db2.gz WBHMJJMGQFFTTC-HOTGVXAUSA-N 2 1 351.495 0.596 20 0 FCADMP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000631749106 492846387 /nfs/dbraw/zinc/84/63/87/492846387.db2.gz NNGTWCCHYIHNRH-SJORKVTESA-N 2 1 360.568 0.664 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000645064497 492857351 /nfs/dbraw/zinc/85/73/51/492857351.db2.gz IZDKUHSRCFGOCN-OAHLLOKOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CCC[NH3+] ZINC000631829627 492859060 /nfs/dbraw/zinc/85/90/60/492859060.db2.gz WKDPDCUERCVQOX-GDBMZVCRSA-N 2 1 374.551 0.366 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652130905 492884946 /nfs/dbraw/zinc/88/49/46/492884946.db2.gz FHKZAIAXNVVLOC-ULQDDVLXSA-N 2 1 356.511 0.883 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896883 /nfs/dbraw/zinc/89/68/83/492896883.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 1 374.485 0.679 20 0 FCADMP COc1ccc(CN2CCCN(C(=O)CN3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896888 /nfs/dbraw/zinc/89/68/88/492896888.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 1 374.485 0.679 20 0 FCADMP O=C(CN1CC[NH2+]CC1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000638082710 492902188 /nfs/dbraw/zinc/90/21/88/492902188.db2.gz WVMQKNDJNSEYCJ-UHFFFAOYSA-N 2 1 371.485 0.817 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(F)c1 ZINC000652268579 492902571 /nfs/dbraw/zinc/90/25/71/492902571.db2.gz CYNWLCIJGOIKQE-HNNXBMFYSA-N 2 1 363.437 0.390 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638104551 492906961 /nfs/dbraw/zinc/90/69/61/492906961.db2.gz JLFKKQAEOMGWDC-GRYCIOLGSA-N 2 1 372.420 0.277 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638104551 492906965 /nfs/dbraw/zinc/90/69/65/492906965.db2.gz JLFKKQAEOMGWDC-GRYCIOLGSA-N 2 1 372.420 0.277 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)c1ccccc1 ZINC000625973348 492909570 /nfs/dbraw/zinc/90/95/70/492909570.db2.gz BCZSDKSRCCSANQ-RLLQIKCJSA-N 2 1 363.502 0.718 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)c1ccccc1 ZINC000625973348 492909575 /nfs/dbraw/zinc/90/95/75/492909575.db2.gz BCZSDKSRCCSANQ-RLLQIKCJSA-N 2 1 363.502 0.718 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000652350359 492913431 /nfs/dbraw/zinc/91/34/31/492913431.db2.gz UOBZFGJHLCPYSC-KXBFYZLASA-N 2 1 360.458 0.625 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000652350359 492913436 /nfs/dbraw/zinc/91/34/36/492913436.db2.gz UOBZFGJHLCPYSC-KXBFYZLASA-N 2 1 360.458 0.625 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CC[NH3+] ZINC000652355151 492914057 /nfs/dbraw/zinc/91/40/57/492914057.db2.gz QEAGJTZFWFBZAV-SJORKVTESA-N 2 1 360.506 0.965 20 0 FCADMP C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CC[NH3+] ZINC000652355148 492914230 /nfs/dbraw/zinc/91/42/30/492914230.db2.gz QEAGJTZFWFBZAV-DLBZAZTESA-N 2 1 360.506 0.965 20 0 FCADMP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354821 492914974 /nfs/dbraw/zinc/91/49/74/492914974.db2.gz JINQJHVYYGWUSA-PBHICJAKSA-N 2 1 362.474 0.616 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354821 492914981 /nfs/dbraw/zinc/91/49/81/492914981.db2.gz JINQJHVYYGWUSA-PBHICJAKSA-N 2 1 362.474 0.616 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)c2cccs2)CC1 ZINC000638135569 492915860 /nfs/dbraw/zinc/91/58/60/492915860.db2.gz UAFYKYLZFINMSG-YOEHRIQHSA-N 2 1 352.504 0.531 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632047394 492918848 /nfs/dbraw/zinc/91/88/48/492918848.db2.gz JQNYSLYVOBTBSF-KRWDZBQOSA-N 2 1 360.568 0.617 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000652380217 492920149 /nfs/dbraw/zinc/92/01/49/492920149.db2.gz JQCUOWMHEBQWJW-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658521905 492925596 /nfs/dbraw/zinc/92/55/96/492925596.db2.gz KQLIJCJXAGCLML-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000658521905 492925598 /nfs/dbraw/zinc/92/55/98/492925598.db2.gz KQLIJCJXAGCLML-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000638303976 492932762 /nfs/dbraw/zinc/93/27/62/492932762.db2.gz XIUQXGNLYPZFOL-KRWDZBQOSA-N 2 1 355.442 0.956 20 0 FCADMP C[NH+](C)CCOc1cc(CNS(=O)(=O)CC2([NH+](C)C)CC2)ccn1 ZINC000632158558 492940992 /nfs/dbraw/zinc/94/09/92/492940992.db2.gz AIUFCRKDYDVTLU-UHFFFAOYSA-N 2 1 356.492 0.536 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000632170654 492943397 /nfs/dbraw/zinc/94/33/97/492943397.db2.gz HNSSQMWFFDHGJU-ZWKOTPCHSA-N 2 1 369.531 0.741 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439460 492947024 /nfs/dbraw/zinc/94/70/24/492947024.db2.gz IDUAOJHSWQMBPF-JKSUJKDBSA-N 2 1 360.506 0.867 20 0 FCADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000626221473 492948034 /nfs/dbraw/zinc/94/80/34/492948034.db2.gz YTLIFVOFDQCBME-QGZVFWFLSA-N 2 1 361.490 0.935 20 0 FCADMP C[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447618 492948268 /nfs/dbraw/zinc/94/82/68/492948268.db2.gz HMCPYFCPZMRTQM-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447618 492948274 /nfs/dbraw/zinc/94/82/74/492948274.db2.gz HMCPYFCPZMRTQM-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000632280315 492963436 /nfs/dbraw/zinc/96/34/36/492963436.db2.gz YPCSNTCOVSDDAV-KRWDZBQOSA-N 2 1 358.552 0.560 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000632281653 492964391 /nfs/dbraw/zinc/96/43/91/492964391.db2.gz DYMDWIKPMRZDDG-UHFFFAOYSA-N 2 1 360.568 0.665 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000638668723 492970570 /nfs/dbraw/zinc/97/05/70/492970570.db2.gz LUYIBBZKRKHORP-OAHLLOKOSA-N 2 1 353.488 0.925 20 0 FCADMP [NH3+]CCOCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000645765121 492971876 /nfs/dbraw/zinc/97/18/76/492971876.db2.gz XPKPOMBXVFGEBA-UHFFFAOYSA-N 2 1 354.882 0.944 20 0 FCADMP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000645781531 492975180 /nfs/dbraw/zinc/97/51/80/492975180.db2.gz VWVRLQIQYRBTPS-QAPCUYQASA-N 2 1 358.486 0.808 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658613564 492981198 /nfs/dbraw/zinc/98/11/98/492981198.db2.gz MTMILPFHZXGNLA-IRXDYDNUSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658613564 492981202 /nfs/dbraw/zinc/98/12/02/492981202.db2.gz MTMILPFHZXGNLA-IRXDYDNUSA-N 2 1 368.522 0.354 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)C1 ZINC000652677314 492986909 /nfs/dbraw/zinc/98/69/09/492986909.db2.gz XRPQTSHSPZDFDY-AIANPOQGSA-N 2 1 364.490 0.084 20 0 FCADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925578 492987797 /nfs/dbraw/zinc/98/77/97/492987797.db2.gz BCZSHPNXOXSETO-OAHLLOKOSA-N 2 1 361.490 0.691 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652680926 492988239 /nfs/dbraw/zinc/98/82/39/492988239.db2.gz VIOPHWIOPUBSFK-ULQDDVLXSA-N 2 1 368.522 0.579 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000638949719 492988895 /nfs/dbraw/zinc/98/88/95/492988895.db2.gz IRRBDPPOZLCGII-ULQDDVLXSA-N 2 1 366.506 0.333 20 0 FCADMP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1COCCN1CC(F)(F)F ZINC000638985194 492990903 /nfs/dbraw/zinc/99/09/03/492990903.db2.gz BZKGQXPFSWAHHY-ZDUSSCGKSA-N 2 1 373.379 0.693 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652701537 492994729 /nfs/dbraw/zinc/99/47/29/492994729.db2.gz DEIAABILJXZAMG-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652701537 492994733 /nfs/dbraw/zinc/99/47/33/492994733.db2.gz DEIAABILJXZAMG-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652701538 492994987 /nfs/dbraw/zinc/99/49/87/492994987.db2.gz DEIAABILJXZAMG-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652701538 492994991 /nfs/dbraw/zinc/99/49/91/492994991.db2.gz DEIAABILJXZAMG-QZTJIDSGSA-N 2 1 358.486 0.630 20 0 FCADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009497 493000624 /nfs/dbraw/zinc/00/06/24/493000624.db2.gz NOAQXBIUCOLYGA-QZTJIDSGSA-N 2 1 352.523 0.807 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000652724404 493004437 /nfs/dbraw/zinc/00/44/37/493004437.db2.gz AMBMXXDFNBBOGO-AEFFLSMTSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652725535 493005104 /nfs/dbraw/zinc/00/51/04/493005104.db2.gz LDFQONMSPSDYIM-LJQANCHMSA-N 2 1 372.513 0.878 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652725535 493005111 /nfs/dbraw/zinc/00/51/11/493005111.db2.gz LDFQONMSPSDYIM-LJQANCHMSA-N 2 1 372.513 0.878 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652731004 493009532 /nfs/dbraw/zinc/00/95/32/493009532.db2.gz YWIMYFPCWXJXCT-ZMSDIMECSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652736198 493012531 /nfs/dbraw/zinc/01/25/31/493012531.db2.gz AKMVEVIQMODFPR-QGZVFWFLSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652736198 493012532 /nfs/dbraw/zinc/01/25/32/493012532.db2.gz AKMVEVIQMODFPR-QGZVFWFLSA-N 2 1 358.486 0.712 20 0 FCADMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000632539132 493024909 /nfs/dbraw/zinc/02/49/09/493024909.db2.gz AXMVBPSUUQCBJB-QGZVFWFLSA-N 2 1 359.536 0.989 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000632544495 493026384 /nfs/dbraw/zinc/02/63/84/493026384.db2.gz HTZJPLXZNSLRLS-MRXNPFEDSA-N 2 1 360.568 0.664 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000639851498 493055776 /nfs/dbraw/zinc/05/57/76/493055776.db2.gz MXDKEKGLHUIJGT-UYAOXDASSA-N 2 1 361.486 0.716 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000653078865 493067876 /nfs/dbraw/zinc/06/78/76/493067876.db2.gz LWOANEWAUBNCFY-ZDUSSCGKSA-N 2 1 354.417 0.379 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653111595 493071342 /nfs/dbraw/zinc/07/13/42/493071342.db2.gz UGJFAELOBFPYRQ-QOKNQOGYSA-N 2 1 358.442 0.311 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653111595 493071343 /nfs/dbraw/zinc/07/13/43/493071343.db2.gz UGJFAELOBFPYRQ-QOKNQOGYSA-N 2 1 358.442 0.311 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626980308 493073738 /nfs/dbraw/zinc/07/37/38/493073738.db2.gz QNTRRZPSQBGULB-IRXDYDNUSA-N 2 1 353.511 0.032 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124441 493074715 /nfs/dbraw/zinc/07/47/15/493074715.db2.gz YSSRBAZKOYZZDP-HUUCEWRRSA-N 2 1 353.536 0.432 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000653124598 493075155 /nfs/dbraw/zinc/07/51/55/493075155.db2.gz BMHDVXDKSDALQZ-LJQANCHMSA-N 2 1 361.534 0.590 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c2cccs2)CC1 ZINC000653123890 493075293 /nfs/dbraw/zinc/07/52/93/493075293.db2.gz KSYWFIOHMGZJQW-DAYGRLMNSA-N 2 1 364.515 0.389 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000653125633 493076305 /nfs/dbraw/zinc/07/63/05/493076305.db2.gz LEFUJOAWPNWGCO-KRWDZBQOSA-N 2 1 367.925 0.857 20 0 FCADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658855218 493087005 /nfs/dbraw/zinc/08/70/05/493087005.db2.gz HKWUGAOWMCSIRY-LJQANCHMSA-N 2 1 372.513 0.782 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627099043 493087243 /nfs/dbraw/zinc/08/72/43/493087243.db2.gz DNGKATGJBNCCNG-RYQLBKOJSA-N 2 1 364.465 0.885 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000627233197 493112882 /nfs/dbraw/zinc/11/28/82/493112882.db2.gz OPDVLURFRRRAMZ-LZWOXQAQSA-N 2 1 365.482 0.063 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000627233197 493112884 /nfs/dbraw/zinc/11/28/84/493112884.db2.gz OPDVLURFRRRAMZ-LZWOXQAQSA-N 2 1 365.482 0.063 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633090346 493121419 /nfs/dbraw/zinc/12/14/19/493121419.db2.gz VYGLCQPNIMNVDH-SQNIBIBYSA-N 2 1 356.470 0.540 20 0 FCADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633102711 493125863 /nfs/dbraw/zinc/12/58/63/493125863.db2.gz XGLAZDYULAVGAZ-MHORFTMASA-N 2 1 354.454 0.150 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106578 493128997 /nfs/dbraw/zinc/12/89/97/493128997.db2.gz VLZPFKRIYFZZPZ-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106578 493129002 /nfs/dbraw/zinc/12/90/02/493129002.db2.gz VLZPFKRIYFZZPZ-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106578 493129004 /nfs/dbraw/zinc/12/90/04/493129004.db2.gz VLZPFKRIYFZZPZ-XHSDSOJGSA-N 2 1 354.495 0.155 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)NCCc3ccc(F)cc3)nn2)CC1 ZINC000640777751 493130698 /nfs/dbraw/zinc/13/06/98/493130698.db2.gz HHUCPSGEZZFVMY-UHFFFAOYSA-N 2 1 374.464 0.742 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312504 493147015 /nfs/dbraw/zinc/14/70/15/493147015.db2.gz ZXJLPHVXCKVTOD-PVAVHDDUSA-N 2 1 360.458 0.043 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627318784 493150463 /nfs/dbraw/zinc/15/04/63/493150463.db2.gz AGLBDWDIYBLTRP-JQWIXIFHSA-N 2 1 350.385 0.183 20 0 FCADMP CCCN(C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647052333 493153817 /nfs/dbraw/zinc/15/38/17/493153817.db2.gz XWGJNYNZQPFOCU-HOTGVXAUSA-N 2 1 359.474 0.719 20 0 FCADMP CCCN(C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1)[C@H]1CCN(C)C1 ZINC000647052333 493153818 /nfs/dbraw/zinc/15/38/18/493153818.db2.gz XWGJNYNZQPFOCU-HOTGVXAUSA-N 2 1 359.474 0.719 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647058541 493155210 /nfs/dbraw/zinc/15/52/10/493155210.db2.gz PSNWYLTVAVIENI-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647058541 493155212 /nfs/dbraw/zinc/15/52/12/493155212.db2.gz PSNWYLTVAVIENI-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647058541 493155215 /nfs/dbraw/zinc/15/52/15/493155215.db2.gz PSNWYLTVAVIENI-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000627329039 493156214 /nfs/dbraw/zinc/15/62/14/493156214.db2.gz XVPUCVNHIUKIRB-ZSYWTGECSA-N 2 1 370.497 0.881 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627334534 493159039 /nfs/dbraw/zinc/15/90/39/493159039.db2.gz TXCQWWLGHSFDBO-GOEBONIOSA-N 2 1 352.479 0.004 20 0 FCADMP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094155 493162495 /nfs/dbraw/zinc/16/24/95/493162495.db2.gz MCEUIPVERMXUHF-INIZCTEOSA-N 2 1 361.490 0.961 20 0 FCADMP Cn1cc(Br)c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000641038941 493163474 /nfs/dbraw/zinc/16/34/74/493163474.db2.gz OKZRHVAQWSIQOS-UHFFFAOYSA-N 2 1 368.283 0.788 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659429721 493174721 /nfs/dbraw/zinc/17/47/21/493174721.db2.gz ATTPEJVRHKRYQN-RYUDHWBXSA-N 2 1 366.466 0.328 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659442989 493177972 /nfs/dbraw/zinc/17/79/72/493177972.db2.gz UQRJLMDUBOIQHI-GFCCVEGCSA-N 2 1 350.467 0.951 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000627361784 493178540 /nfs/dbraw/zinc/17/85/40/493178540.db2.gz YTBZHQZDMQZFNC-INIZCTEOSA-N 2 1 361.490 0.121 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)COCc3cccs3)nn2)CC1 ZINC000641199197 493179672 /nfs/dbraw/zinc/17/96/72/493179672.db2.gz VDJBRMQPHBCECF-INIZCTEOSA-N 2 1 365.503 0.883 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641214636 493181209 /nfs/dbraw/zinc/18/12/09/493181209.db2.gz GBPGLGPNDSYKBK-LJQANCHMSA-N 2 1 358.490 0.518 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367084 493181457 /nfs/dbraw/zinc/18/14/57/493181457.db2.gz JUUYUKTXYHOAHV-DOTOQJQBSA-N 2 1 362.474 0.057 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000627365519 493181580 /nfs/dbraw/zinc/18/15/80/493181580.db2.gz QTXAJGLNVXRHGI-MRXNPFEDSA-N 2 1 361.490 0.121 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627367087 493181679 /nfs/dbraw/zinc/18/16/79/493181679.db2.gz JUUYUKTXYHOAHV-WBVHZDCISA-N 2 1 362.474 0.057 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659286765 493183591 /nfs/dbraw/zinc/18/35/91/493183591.db2.gz DQMFTVLNYPMHBV-MRXNPFEDSA-N 2 1 360.462 0.676 20 0 FCADMP CN(CCC[NH3+])Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641228451 493185853 /nfs/dbraw/zinc/18/58/53/493185853.db2.gz AEQGIMRAEBLVFR-IBGZPJMESA-N 2 1 358.490 0.696 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659481064 493191869 /nfs/dbraw/zinc/19/18/69/493191869.db2.gz FEAPJBMMLWSTJX-BBRMVZONSA-N 2 1 370.457 0.961 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627408245 493205899 /nfs/dbraw/zinc/20/58/99/493205899.db2.gz RFRJJLDIFYCHNO-GOSISDBHSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627408245 493205902 /nfs/dbraw/zinc/20/59/02/493205902.db2.gz RFRJJLDIFYCHNO-GOSISDBHSA-N 2 1 358.486 0.691 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659548208 493211063 /nfs/dbraw/zinc/21/10/63/493211063.db2.gz FSPZUTSAJLFMJQ-ARFHVFGLSA-N 2 1 352.479 0.308 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000666796336 493228272 /nfs/dbraw/zinc/22/82/72/493228272.db2.gz YQWIVNNVFOWHNO-GOSISDBHSA-N 2 1 373.501 0.583 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000672695787 493234357 /nfs/dbraw/zinc/23/43/57/493234357.db2.gz HWZKCADPQCKZQN-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000659687753 493253353 /nfs/dbraw/zinc/25/33/53/493253353.db2.gz ZYQHOKLGNOGLPJ-KGLIPLIRSA-N 2 1 352.504 0.800 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000659687755 493253382 /nfs/dbraw/zinc/25/33/82/493253382.db2.gz ZYQHOKLGNOGLPJ-ZIAGYGMSSA-N 2 1 352.504 0.800 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000659688333 493254261 /nfs/dbraw/zinc/25/42/61/493254261.db2.gz XVPUCVNHIUKIRB-CADBVGFASA-N 2 1 370.497 0.881 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000659692267 493256154 /nfs/dbraw/zinc/25/61/54/493256154.db2.gz YMKVOGUEILGQKZ-LBPRGKRZSA-N 2 1 352.504 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000659692267 493256157 /nfs/dbraw/zinc/25/61/57/493256157.db2.gz YMKVOGUEILGQKZ-LBPRGKRZSA-N 2 1 352.504 0.807 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699493 493260006 /nfs/dbraw/zinc/26/00/06/493260006.db2.gz UECOIPMUKWWURG-ZOBUZTSGSA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699493 493260010 /nfs/dbraw/zinc/26/00/10/493260010.db2.gz UECOIPMUKWWURG-ZOBUZTSGSA-N 2 1 362.474 0.116 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659700055 493260073 /nfs/dbraw/zinc/26/00/73/493260073.db2.gz YXQBKZNMLDGSTG-JKSUJKDBSA-N 2 1 361.490 0.037 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1CCO ZINC000672957659 493269997 /nfs/dbraw/zinc/26/99/97/493269997.db2.gz UTIDFMUHXJDFRD-IAGOWNOFSA-N 2 1 368.522 0.462 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1CCOC ZINC000659733704 493278131 /nfs/dbraw/zinc/27/81/31/493278131.db2.gz FRVKVVGOJVUKFQ-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1CCOC ZINC000659733704 493278132 /nfs/dbraw/zinc/27/81/32/493278132.db2.gz FRVKVVGOJVUKFQ-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000659734732 493278624 /nfs/dbraw/zinc/27/86/24/493278624.db2.gz BRKQLNDRFUSVMR-GDBMZVCRSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659734621 493278792 /nfs/dbraw/zinc/27/87/92/493278792.db2.gz NRSZTEJVLZLAFX-XHSDSOJGSA-N 2 1 366.506 0.474 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659734621 493278794 /nfs/dbraw/zinc/27/87/94/493278794.db2.gz NRSZTEJVLZLAFX-XHSDSOJGSA-N 2 1 366.506 0.474 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660639015 493369104 /nfs/dbraw/zinc/36/91/04/493369104.db2.gz AZFMCMVIZVNYHG-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660639015 493369106 /nfs/dbraw/zinc/36/91/06/493369106.db2.gz AZFMCMVIZVNYHG-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660639015 493369107 /nfs/dbraw/zinc/36/91/07/493369107.db2.gz AZFMCMVIZVNYHG-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660639015 493369109 /nfs/dbraw/zinc/36/91/09/493369109.db2.gz AZFMCMVIZVNYHG-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660639015 493369111 /nfs/dbraw/zinc/36/91/11/493369111.db2.gz AZFMCMVIZVNYHG-MRXNPFEDSA-N 2 1 368.522 0.092 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673031 493371555 /nfs/dbraw/zinc/37/15/55/493371555.db2.gz ZINYQHJFFTXLOS-INIZCTEOSA-N 2 1 372.535 0.403 20 0 FCADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000683813919 493371737 /nfs/dbraw/zinc/37/17/37/493371737.db2.gz ZKFSUBSJIMBOTN-UKRRQHHQSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000683813919 493371739 /nfs/dbraw/zinc/37/17/39/493371739.db2.gz ZKFSUBSJIMBOTN-UKRRQHHQSA-N 2 1 350.467 0.990 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853370 493386895 /nfs/dbraw/zinc/38/68/95/493386895.db2.gz WPQRIXNIWSTPPT-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853370 493386897 /nfs/dbraw/zinc/38/68/97/493386897.db2.gz WPQRIXNIWSTPPT-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853370 493386898 /nfs/dbraw/zinc/38/68/98/493386898.db2.gz WPQRIXNIWSTPPT-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000660860981 493388462 /nfs/dbraw/zinc/38/84/62/493388462.db2.gz ADGKJFVZBAFDQU-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000660860981 493388465 /nfs/dbraw/zinc/38/84/65/493388465.db2.gz ADGKJFVZBAFDQU-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000660860981 493388468 /nfs/dbraw/zinc/38/84/68/493388468.db2.gz ADGKJFVZBAFDQU-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036560 493403893 /nfs/dbraw/zinc/40/38/93/493403893.db2.gz JZXWIHTYISDKMN-FUHWJXTLSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)[N@@H+](C)C1CC1 ZINC000668796460 493412713 /nfs/dbraw/zinc/41/27/13/493412713.db2.gz VAZCLLINQFQTNS-CQSZACIVSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685082424 493447768 /nfs/dbraw/zinc/44/77/68/493447768.db2.gz REGSZEHFRWBJPW-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000685082424 493447771 /nfs/dbraw/zinc/44/77/71/493447771.db2.gz REGSZEHFRWBJPW-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685082424 493447774 /nfs/dbraw/zinc/44/77/74/493447774.db2.gz REGSZEHFRWBJPW-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685082424 493447777 /nfs/dbraw/zinc/44/77/77/493447777.db2.gz REGSZEHFRWBJPW-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CCC1 ZINC000669026755 493453425 /nfs/dbraw/zinc/45/34/25/493453425.db2.gz JRZRCHPOYXQFDA-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CCC1 ZINC000669026755 493453428 /nfs/dbraw/zinc/45/34/28/493453428.db2.gz JRZRCHPOYXQFDA-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000669035297 493455749 /nfs/dbraw/zinc/45/57/49/493455749.db2.gz BYFRHXLSPGFRPK-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685336639 493477320 /nfs/dbraw/zinc/47/73/20/493477320.db2.gz JRCOZPUFRNDLKC-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336639 493477324 /nfs/dbraw/zinc/47/73/24/493477324.db2.gz JRCOZPUFRNDLKC-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336639 493477327 /nfs/dbraw/zinc/47/73/27/493477327.db2.gz JRCOZPUFRNDLKC-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336639 493477330 /nfs/dbraw/zinc/47/73/30/493477330.db2.gz JRCOZPUFRNDLKC-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336639 493477334 /nfs/dbraw/zinc/47/73/34/493477334.db2.gz JRCOZPUFRNDLKC-XIRDDKMYSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336616 493477343 /nfs/dbraw/zinc/47/73/43/493477343.db2.gz IJQBNPXJJLIASJ-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336616 493477346 /nfs/dbraw/zinc/47/73/46/493477346.db2.gz IJQBNPXJJLIASJ-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CN(C)CCO1 ZINC000685336638 493477528 /nfs/dbraw/zinc/47/75/28/493477528.db2.gz JRCOZPUFRNDLKC-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336638 493477529 /nfs/dbraw/zinc/47/75/29/493477529.db2.gz JRCOZPUFRNDLKC-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336638 493477531 /nfs/dbraw/zinc/47/75/31/493477531.db2.gz JRCOZPUFRNDLKC-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685336638 493477533 /nfs/dbraw/zinc/47/75/33/493477533.db2.gz JRCOZPUFRNDLKC-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336638 493477534 /nfs/dbraw/zinc/47/75/34/493477534.db2.gz JRCOZPUFRNDLKC-USXIJHARSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661974332 493479949 /nfs/dbraw/zinc/47/99/49/493479949.db2.gz WQKMPIHUZSJUHX-ZWKOTPCHSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343611 493482147 /nfs/dbraw/zinc/48/21/47/493482147.db2.gz NLTQRTIVIGXGFX-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343611 493482148 /nfs/dbraw/zinc/48/21/48/493482148.db2.gz NLTQRTIVIGXGFX-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685344602 493482178 /nfs/dbraw/zinc/48/21/78/493482178.db2.gz ZDCZIVMBOWKQOR-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344602 493482180 /nfs/dbraw/zinc/48/21/80/493482180.db2.gz ZDCZIVMBOWKQOR-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685343244 493482508 /nfs/dbraw/zinc/48/25/08/493482508.db2.gz LJFRFILUNPAXKJ-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343244 493482510 /nfs/dbraw/zinc/48/25/10/493482510.db2.gz LJFRFILUNPAXKJ-RDJZCZTQSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000662265553 493501272 /nfs/dbraw/zinc/50/12/72/493501272.db2.gz RALRFCZDYWCBQE-CABCVRRESA-N 2 1 363.510 0.551 20 0 FCADMP C[NH+](C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568536 493504093 /nfs/dbraw/zinc/50/40/93/493504093.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568536 493504095 /nfs/dbraw/zinc/50/40/95/493504095.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568536 493504097 /nfs/dbraw/zinc/50/40/97/493504097.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 2 1 368.566 0.293 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2c(=O)n(C)c1=O ZINC000662295636 493504620 /nfs/dbraw/zinc/50/46/20/493504620.db2.gz VZHLNPQJWGZTTE-HNNXBMFYSA-N 2 1 374.489 0.145 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298021 493504954 /nfs/dbraw/zinc/50/49/54/493504954.db2.gz TVUFDKPNVMTXTQ-DJIMGWMZSA-N 2 1 350.507 0.810 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(CC(N)=O)cc3)cn2)CC1 ZINC000685623837 493506585 /nfs/dbraw/zinc/50/65/85/493506585.db2.gz AFOXUUKLMRHMIS-UHFFFAOYSA-N 2 1 354.458 0.546 20 0 FCADMP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N1CCNC(=O)C1 ZINC000662326986 493506791 /nfs/dbraw/zinc/50/67/91/493506791.db2.gz CFDMCLNLRLFBEI-UHFFFAOYSA-N 2 1 374.489 0.015 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC[NH+](C)CC1 ZINC000669490524 493507620 /nfs/dbraw/zinc/50/76/20/493507620.db2.gz MEFYLKURAGYDKF-HOCLYGCPSA-N 2 1 351.495 0.323 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491032 493507692 /nfs/dbraw/zinc/50/76/92/493507692.db2.gz IZHFMLWNBKDIAV-HZPDHXFCSA-N 2 1 351.495 0.500 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000669518500 493508982 /nfs/dbraw/zinc/50/89/82/493508982.db2.gz QMOJWJWTVLMHDW-SJLPKXTDSA-N 2 1 373.501 0.628 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000669529763 493509094 /nfs/dbraw/zinc/50/90/94/493509094.db2.gz BISXQBQDKXPTLX-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662351826 493509153 /nfs/dbraw/zinc/50/91/53/493509153.db2.gz PAXUOEMSEIBTNC-HUUCEWRRSA-N 2 1 350.467 0.208 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000675995126 493516698 /nfs/dbraw/zinc/51/66/98/493516698.db2.gz NNUPQKFPAQIOLV-IRXDYDNUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675995126 493516701 /nfs/dbraw/zinc/51/67/01/493516701.db2.gz NNUPQKFPAQIOLV-IRXDYDNUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675995126 493516704 /nfs/dbraw/zinc/51/67/04/493516704.db2.gz NNUPQKFPAQIOLV-IRXDYDNUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662679745 493531387 /nfs/dbraw/zinc/53/13/87/493531387.db2.gz UJUDNQSJZLKSKM-KRWDZBQOSA-N 2 1 358.486 0.959 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702430 493533404 /nfs/dbraw/zinc/53/34/04/493533404.db2.gz AAGNWSXCLQYIOJ-NHYWBVRUSA-N 2 1 354.401 0.668 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662702430 493533407 /nfs/dbraw/zinc/53/34/07/493533407.db2.gz AAGNWSXCLQYIOJ-NHYWBVRUSA-N 2 1 354.401 0.668 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662704661 493533473 /nfs/dbraw/zinc/53/34/73/493533473.db2.gz JOAPTDCTAOVTAH-FZMZJTMJSA-N 2 1 350.385 0.232 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC000662715623 493534186 /nfs/dbraw/zinc/53/41/86/493534186.db2.gz KYUYFWOYYGMXOD-QGZVFWFLSA-N 2 1 366.412 0.731 20 0 FCADMP [NH3+][C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC000662715622 493534256 /nfs/dbraw/zinc/53/42/56/493534256.db2.gz KYUYFWOYYGMXOD-KRWDZBQOSA-N 2 1 366.412 0.731 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000669934517 493535947 /nfs/dbraw/zinc/53/59/47/493535947.db2.gz OUCCEIZDJCVESO-LBPRGKRZSA-N 2 1 350.385 0.151 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000669934517 493535949 /nfs/dbraw/zinc/53/59/49/493535949.db2.gz OUCCEIZDJCVESO-LBPRGKRZSA-N 2 1 350.385 0.151 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750105 493536957 /nfs/dbraw/zinc/53/69/57/493536957.db2.gz PRILNAZLHVRVCL-QGTPRVQTSA-N 2 1 363.458 0.758 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000662750105 493536959 /nfs/dbraw/zinc/53/69/59/493536959.db2.gz PRILNAZLHVRVCL-QGTPRVQTSA-N 2 1 363.458 0.758 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662761667 493540105 /nfs/dbraw/zinc/54/01/05/493540105.db2.gz QOPLGFOKFLYILK-SHTZXODSSA-N 2 1 359.474 0.573 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662801556 493543510 /nfs/dbraw/zinc/54/35/10/493543510.db2.gz WEUGYJZUEVNOCJ-QZTJIDSGSA-N 2 1 360.458 0.653 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662926040 493554483 /nfs/dbraw/zinc/55/44/83/493554483.db2.gz OIFBVPMXQVKUGX-KRWDZBQOSA-N 2 1 361.490 0.702 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662950529 493559829 /nfs/dbraw/zinc/55/98/29/493559829.db2.gz MRBNFLBHGRIRFM-BHIYHBOVSA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662954629 493560389 /nfs/dbraw/zinc/56/03/89/493560389.db2.gz XOCMORIGBBVTOU-OTWHNJEPSA-N 2 1 370.497 0.440 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)c1 ZINC000662986682 493564508 /nfs/dbraw/zinc/56/45/08/493564508.db2.gz IAEIWZMIBGRYSX-CVEARBPZSA-N 2 1 359.474 0.624 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000670572458 493580286 /nfs/dbraw/zinc/58/02/86/493580286.db2.gz BMHDNKJOUOZJLB-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C(=O)C(=O)NCCc1ccco1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670640921 493584386 /nfs/dbraw/zinc/58/43/86/493584386.db2.gz PYBCDGZMTNSIRX-MRXNPFEDSA-N 2 1 362.474 0.565 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000670670590 493586601 /nfs/dbraw/zinc/58/66/01/493586601.db2.gz HCDRBCNJCICJIN-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCOCC1 ZINC000663555489 493597366 /nfs/dbraw/zinc/59/73/66/493597366.db2.gz WXFHIEZVAZQOME-MRXNPFEDSA-N 2 1 371.526 0.005 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000670804570 493598599 /nfs/dbraw/zinc/59/85/99/493598599.db2.gz LMIKUXSDBDGLAG-SJORKVTESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663612452 493603872 /nfs/dbraw/zinc/60/38/72/493603872.db2.gz HMJKTPSUGUYHMQ-KUHUBIRLSA-N 2 1 360.458 0.887 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000663622892 493605765 /nfs/dbraw/zinc/60/57/65/493605765.db2.gz YAPIURKPKNPMRL-UHFFFAOYSA-N 2 1 365.522 0.572 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000677577119 493609331 /nfs/dbraw/zinc/60/93/31/493609331.db2.gz CWNCGKQXLPDWAJ-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663662446 493610842 /nfs/dbraw/zinc/61/08/42/493610842.db2.gz HVRFBODAMOOQSL-ROUUACIJSA-N 2 1 361.490 0.125 20 0 FCADMP Cc1ccc(NCCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[nH+]c1 ZINC000663672521 493611409 /nfs/dbraw/zinc/61/14/09/493611409.db2.gz OKGXGLIIGKKGRG-UHFFFAOYSA-N 2 1 364.494 0.853 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670977351 493617307 /nfs/dbraw/zinc/61/73/07/493617307.db2.gz JGQKUNFHDOULHV-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670977351 493617309 /nfs/dbraw/zinc/61/73/09/493617309.db2.gz JGQKUNFHDOULHV-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670977351 493617310 /nfs/dbraw/zinc/61/73/10/493617310.db2.gz JGQKUNFHDOULHV-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670977351 493617311 /nfs/dbraw/zinc/61/73/11/493617311.db2.gz JGQKUNFHDOULHV-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663825587 493619323 /nfs/dbraw/zinc/61/93/23/493619323.db2.gz LPOKMLQADAZLHR-KRWDZBQOSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000670984969 493620380 /nfs/dbraw/zinc/62/03/80/493620380.db2.gz BHSIHPQBQQZPJD-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000670984969 493620381 /nfs/dbraw/zinc/62/03/81/493620381.db2.gz BHSIHPQBQQZPJD-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000670984969 493620382 /nfs/dbraw/zinc/62/03/82/493620382.db2.gz BHSIHPQBQQZPJD-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c1F ZINC000663852274 493621282 /nfs/dbraw/zinc/62/12/82/493621282.db2.gz RNCZMOLRBGIMPO-GEEKYZPCSA-N 2 1 360.481 0.920 20 0 FCADMP Cc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1F ZINC000663852274 493621284 /nfs/dbraw/zinc/62/12/84/493621284.db2.gz RNCZMOLRBGIMPO-GEEKYZPCSA-N 2 1 360.481 0.920 20 0 FCADMP Cc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1F ZINC000663852274 493621287 /nfs/dbraw/zinc/62/12/87/493621287.db2.gz RNCZMOLRBGIMPO-GEEKYZPCSA-N 2 1 360.481 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000671102355 493633617 /nfs/dbraw/zinc/63/36/17/493633617.db2.gz YIFMIPFIHPBZDA-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102355 493633619 /nfs/dbraw/zinc/63/36/19/493633619.db2.gz YIFMIPFIHPBZDA-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102355 493633621 /nfs/dbraw/zinc/63/36/21/493633621.db2.gz YIFMIPFIHPBZDA-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000671108076 493635858 /nfs/dbraw/zinc/63/58/58/493635858.db2.gz MQOMOUOKQCIBIN-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109919 493636277 /nfs/dbraw/zinc/63/62/77/493636277.db2.gz ZFFDTBJJHVVWJF-NVXWUHKLSA-N 2 1 357.458 0.473 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671109918 493636593 /nfs/dbraw/zinc/63/65/93/493636593.db2.gz ZFFDTBJJHVVWJF-DOTOQJQBSA-N 2 1 357.458 0.473 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664177285 493641980 /nfs/dbraw/zinc/64/19/80/493641980.db2.gz CJAQACHLQYISPZ-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000671171261 493645154 /nfs/dbraw/zinc/64/51/54/493645154.db2.gz LHUKNTYYCDOSGB-IAGOWNOFSA-N 2 1 366.506 0.015 20 0 FCADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000679316638 493675400 /nfs/dbraw/zinc/67/54/00/493675400.db2.gz SRVPYQYMSZPLQR-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000679316638 493675403 /nfs/dbraw/zinc/67/54/03/493675403.db2.gz SRVPYQYMSZPLQR-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP O=C(NCC1(N2CCOCC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664758725 493681447 /nfs/dbraw/zinc/68/14/47/493681447.db2.gz FPAATGGTIJIGDV-MRXNPFEDSA-N 2 1 352.479 0.092 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679508495 493684264 /nfs/dbraw/zinc/68/42/64/493684264.db2.gz WSYMTRFCBXBMPT-UHFFFAOYSA-N 2 1 360.418 0.242 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000671815791 493706738 /nfs/dbraw/zinc/70/67/38/493706738.db2.gz FUITYWSEJRQACI-IIDMSEBBSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000671815791 493706741 /nfs/dbraw/zinc/70/67/41/493706741.db2.gz FUITYWSEJRQACI-IIDMSEBBSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000671815791 493706743 /nfs/dbraw/zinc/70/67/43/493706743.db2.gz FUITYWSEJRQACI-IIDMSEBBSA-N 2 1 360.502 0.815 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671881813 493710626 /nfs/dbraw/zinc/71/06/26/493710626.db2.gz UCNJHJGCVYXZQK-KRWDZBQOSA-N 2 1 373.501 0.967 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000671960855 493718613 /nfs/dbraw/zinc/71/86/13/493718613.db2.gz IVFUYBSSYCRYRJ-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000671960559 493718631 /nfs/dbraw/zinc/71/86/31/493718631.db2.gz GMCDLJIZFBQHPD-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671963547 493719710 /nfs/dbraw/zinc/71/97/10/493719710.db2.gz HUNHDWJZLLABBD-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671963547 493719713 /nfs/dbraw/zinc/71/97/13/493719713.db2.gz HUNHDWJZLLABBD-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671963547 493719714 /nfs/dbraw/zinc/71/97/14/493719714.db2.gz HUNHDWJZLLABBD-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000672007358 493723482 /nfs/dbraw/zinc/72/34/82/493723482.db2.gz HSEFXPOPCASWQC-LNRIEFBSSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009158 493723968 /nfs/dbraw/zinc/72/39/68/493723968.db2.gz YXQNUMFWDFSLCR-HOTGVXAUSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C1CC[NH+](C)CC1 ZINC000672012778 493724301 /nfs/dbraw/zinc/72/43/01/493724301.db2.gz WJDOJSJBINTSRD-UAGQMJEPSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672013814 493724660 /nfs/dbraw/zinc/72/46/60/493724660.db2.gz NWOVTCIKXPYDBP-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672013814 493724662 /nfs/dbraw/zinc/72/46/62/493724662.db2.gz NWOVTCIKXPYDBP-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000672015389 493725412 /nfs/dbraw/zinc/72/54/12/493725412.db2.gz VVMMKXQMCVXHEZ-YQQAZPJKSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H](C)O ZINC000672015389 493725415 /nfs/dbraw/zinc/72/54/15/493725415.db2.gz VVMMKXQMCVXHEZ-YQQAZPJKSA-N 2 1 368.522 0.137 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672165605 493739353 /nfs/dbraw/zinc/73/93/53/493739353.db2.gz JWYIJTOYUDLFFW-QGZVFWFLSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304753 493751813 /nfs/dbraw/zinc/75/18/13/493751813.db2.gz JITJHQNYUDNULW-MSOLQXFVSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304753 493751815 /nfs/dbraw/zinc/75/18/15/493751815.db2.gz JITJHQNYUDNULW-MSOLQXFVSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304753 493751817 /nfs/dbraw/zinc/75/18/17/493751817.db2.gz JITJHQNYUDNULW-MSOLQXFVSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310251 493753983 /nfs/dbraw/zinc/75/39/83/493753983.db2.gz LTKOOWFGVOWBKI-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000672309456 493754156 /nfs/dbraw/zinc/75/41/56/493754156.db2.gz NOJRHVKMBJCFGA-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCO1 ZINC000672309456 493754159 /nfs/dbraw/zinc/75/41/59/493754159.db2.gz NOJRHVKMBJCFGA-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCO1 ZINC000672309456 493754161 /nfs/dbraw/zinc/75/41/61/493754161.db2.gz NOJRHVKMBJCFGA-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H]1C ZINC000672311500 493755209 /nfs/dbraw/zinc/75/52/09/493755209.db2.gz FFSRBFHZZIQAGE-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C ZINC000672311500 493755211 /nfs/dbraw/zinc/75/52/11/493755211.db2.gz FFSRBFHZZIQAGE-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C ZINC000672311500 493755212 /nfs/dbraw/zinc/75/52/12/493755212.db2.gz FFSRBFHZZIQAGE-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410938724 534458262 /nfs/dbraw/zinc/45/82/62/534458262.db2.gz PFCILJFAAMNKKB-OAHLLOKOSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410938724 534458269 /nfs/dbraw/zinc/45/82/69/534458269.db2.gz PFCILJFAAMNKKB-OAHLLOKOSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410847520 527804781 /nfs/dbraw/zinc/80/47/81/527804781.db2.gz WOSFUWXOGWOSOL-WMZOPIPTSA-N 2 1 364.534 0.977 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000410736061 527817078 /nfs/dbraw/zinc/81/70/78/527817078.db2.gz LAELQQHPOKOUFC-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000410736061 527817082 /nfs/dbraw/zinc/81/70/82/527817082.db2.gz LAELQQHPOKOUFC-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413347436 527970553 /nfs/dbraw/zinc/97/05/53/527970553.db2.gz YRBUZBPESFZKHU-UHFFFAOYSA-N 2 1 369.554 0.814 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413456242 528142572 /nfs/dbraw/zinc/14/25/72/528142572.db2.gz OYRNSOSACYVOKF-HNNXBMFYSA-N 2 1 358.483 0.091 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000410781339 528247837 /nfs/dbraw/zinc/24/78/37/528247837.db2.gz BUOOADPRRIZGNB-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCOCC1 ZINC000173911538 528458411 /nfs/dbraw/zinc/45/84/11/528458411.db2.gz CZSZNAHPSINDIZ-OAHLLOKOSA-N 2 1 352.483 0.923 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@@H+]1C ZINC000410709137 528712377 /nfs/dbraw/zinc/71/23/77/528712377.db2.gz MKYFDRQYFZDFCI-KRWDZBQOSA-N 2 1 364.490 0.968 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[N@H+]1C ZINC000410709137 528712380 /nfs/dbraw/zinc/71/23/80/528712380.db2.gz MKYFDRQYFZDFCI-KRWDZBQOSA-N 2 1 364.490 0.968 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410696624 528738065 /nfs/dbraw/zinc/73/80/65/528738065.db2.gz ICQSDHQNHRVREI-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410696624 528738070 /nfs/dbraw/zinc/73/80/70/528738070.db2.gz ICQSDHQNHRVREI-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410695528 528738220 /nfs/dbraw/zinc/73/82/20/528738220.db2.gz FXUMSEDDWINMQK-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410695528 528738223 /nfs/dbraw/zinc/73/82/23/528738223.db2.gz FXUMSEDDWINMQK-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)C(C)C)O1 ZINC000189508257 528821788 /nfs/dbraw/zinc/82/17/88/528821788.db2.gz AHNGBRQHMWLNFJ-IYBDPMFKSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)O1 ZINC000189508257 528821793 /nfs/dbraw/zinc/82/17/93/528821793.db2.gz AHNGBRQHMWLNFJ-IYBDPMFKSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)O1 ZINC000189508257 528821799 /nfs/dbraw/zinc/82/17/99/528821799.db2.gz AHNGBRQHMWLNFJ-IYBDPMFKSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410889337 528891409 /nfs/dbraw/zinc/89/14/09/528891409.db2.gz YNFOFDFSRVIDCS-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000436066444 534978877 /nfs/dbraw/zinc/97/88/77/534978877.db2.gz QWJAIHDRTRTBOO-ZDUSSCGKSA-N 2 1 353.467 0.026 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424140574 535126081 /nfs/dbraw/zinc/12/60/81/535126081.db2.gz SNAQWLKCVYPUNW-HUUCEWRRSA-N 2 1 350.467 0.289 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423663015 535187217 /nfs/dbraw/zinc/18/72/17/535187217.db2.gz NLFSDLVNILKKIS-IBGZPJMESA-N 2 1 372.513 0.974 20 0 FCADMP CCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419231479 535193168 /nfs/dbraw/zinc/19/31/68/535193168.db2.gz RWVFHBXXKBSCOW-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423528990 535425236 /nfs/dbraw/zinc/42/52/36/535425236.db2.gz PLYPYHVCMOGRMX-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000423528990 535425242 /nfs/dbraw/zinc/42/52/42/535425242.db2.gz PLYPYHVCMOGRMX-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[N@@H+]1CCOC ZINC000423650004 535425674 /nfs/dbraw/zinc/42/56/74/535425674.db2.gz KFUMAAPKSJPUAA-HRCADAONSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[N@H+]1CCOC ZINC000423650004 535425680 /nfs/dbraw/zinc/42/56/80/535425680.db2.gz KFUMAAPKSJPUAA-HRCADAONSA-N 2 1 354.495 0.141 20 0 FCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)CC1CC1 ZINC000423479322 535713118 /nfs/dbraw/zinc/71/31/18/535713118.db2.gz VBVZRMHSVCSBJL-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000419200429 535944156 /nfs/dbraw/zinc/94/41/56/535944156.db2.gz FGWZTQLZHVJGKV-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000418703764 536142196 /nfs/dbraw/zinc/14/21/96/536142196.db2.gz FQBKQHYRKSOENH-INIZCTEOSA-N 2 1 353.511 0.700 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613922 536367625 /nfs/dbraw/zinc/36/76/25/536367625.db2.gz RXEYAZUYOHHBEX-WIYYLYMNSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163115 536368142 /nfs/dbraw/zinc/36/81/42/536368142.db2.gz JCXHCLHCRXJLFC-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419905580 536372623 /nfs/dbraw/zinc/37/26/23/536372623.db2.gz ZFJVNKOBXCJEBH-QGZVFWFLSA-N 2 1 373.501 0.135 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)C1 ZINC000423448912 536416149 /nfs/dbraw/zinc/41/61/49/536416149.db2.gz QTMYALVBMPPOGI-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419773583 536481675 /nfs/dbraw/zinc/48/16/75/536481675.db2.gz ZSDNZLLOEBSJGD-MSOLQXFVSA-N 2 1 358.486 0.881 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419725617 536874525 /nfs/dbraw/zinc/87/45/25/536874525.db2.gz IPCNLBWQBUCPFS-MRXNPFEDSA-N 2 1 354.495 0.252 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1ccco1 ZINC000174723227 546583603 /nfs/dbraw/zinc/58/36/03/546583603.db2.gz SQKMZSCDIOZTBK-UHFFFAOYSA-N 2 1 351.451 0.175 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+](C)C1 ZINC000594283153 546778273 /nfs/dbraw/zinc/77/82/73/546778273.db2.gz CSKPOZJXSUKJJE-OAGGEKHMSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+](C)C1 ZINC000594283153 546778279 /nfs/dbraw/zinc/77/82/79/546778279.db2.gz CSKPOZJXSUKJJE-OAGGEKHMSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+](C)C1 ZINC000594283153 546778285 /nfs/dbraw/zinc/77/82/85/546778285.db2.gz CSKPOZJXSUKJJE-OAGGEKHMSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CN1CCOCC1 ZINC000433404347 546922216 /nfs/dbraw/zinc/92/22/16/546922216.db2.gz WOKYMDRWCLKNCE-IRXDYDNUSA-N 2 1 356.511 0.755 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000433404347 546922223 /nfs/dbraw/zinc/92/22/23/546922223.db2.gz WOKYMDRWCLKNCE-IRXDYDNUSA-N 2 1 356.511 0.755 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(F)cc1 ZINC000641801886 546960355 /nfs/dbraw/zinc/96/03/55/546960355.db2.gz GLVYZWICVJRUJM-GLQYFDAESA-N 2 1 350.438 0.835 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881897 547072318 /nfs/dbraw/zinc/07/23/18/547072318.db2.gz BQCHTVRNWIHDMZ-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881897 547072325 /nfs/dbraw/zinc/07/23/25/547072325.db2.gz BQCHTVRNWIHDMZ-HNNXBMFYSA-N 2 1 354.495 0.062 20 0 FCADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000549922752 547074537 /nfs/dbraw/zinc/07/45/37/547074537.db2.gz FSVOMZUWPHKKFM-GOSISDBHSA-N 2 1 352.450 0.888 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000550456259 547087384 /nfs/dbraw/zinc/08/73/84/547087384.db2.gz CFNHHPZISLFYTC-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000550456259 547087385 /nfs/dbraw/zinc/08/73/85/547087385.db2.gz CFNHHPZISLFYTC-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000550456259 547087386 /nfs/dbraw/zinc/08/73/86/547087386.db2.gz CFNHHPZISLFYTC-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000550632462 547092281 /nfs/dbraw/zinc/09/22/81/547092281.db2.gz JMUJEKSZUAFZTP-QGZVFWFLSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278624 547138516 /nfs/dbraw/zinc/13/85/16/547138516.db2.gz SALOZDNGHCROLA-HOTGVXAUSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278624 547138522 /nfs/dbraw/zinc/13/85/22/547138522.db2.gz SALOZDNGHCROLA-HOTGVXAUSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278624 547138529 /nfs/dbraw/zinc/13/85/29/547138529.db2.gz SALOZDNGHCROLA-HOTGVXAUSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000551490137 547147826 /nfs/dbraw/zinc/14/78/26/547147826.db2.gz LLFSLLYHRQSTBD-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000552851873 547235862 /nfs/dbraw/zinc/23/58/62/547235862.db2.gz WFEMYIODBORULR-YOEHRIQHSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000552881042 547236775 /nfs/dbraw/zinc/23/67/75/547236775.db2.gz FQFGTQSJYUPXFV-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000552881042 547236778 /nfs/dbraw/zinc/23/67/78/547236778.db2.gz FQFGTQSJYUPXFV-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000553039091 547248472 /nfs/dbraw/zinc/24/84/72/547248472.db2.gz FYUAARCPHGREJX-CQSZACIVSA-N 2 1 354.495 0.155 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000553279676 547266523 /nfs/dbraw/zinc/26/65/23/547266523.db2.gz CFKOECUPCODZJO-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000553359648 547272117 /nfs/dbraw/zinc/27/21/17/547272117.db2.gz AVGCIQKASYZMBA-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553359648 547272120 /nfs/dbraw/zinc/27/21/20/547272120.db2.gz AVGCIQKASYZMBA-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000553359648 547272127 /nfs/dbraw/zinc/27/21/27/547272127.db2.gz AVGCIQKASYZMBA-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000553367728 547274223 /nfs/dbraw/zinc/27/42/23/547274223.db2.gz YQZVVPKWJPFWKI-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000553367728 547274226 /nfs/dbraw/zinc/27/42/26/547274226.db2.gz YQZVVPKWJPFWKI-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000553367728 547274230 /nfs/dbraw/zinc/27/42/30/547274230.db2.gz YQZVVPKWJPFWKI-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948995283 674391543 /nfs/dbraw/zinc/39/15/43/674391543.db2.gz YPIGYLQOICJXDB-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949020862 674392333 /nfs/dbraw/zinc/39/23/33/674392333.db2.gz LGJMQFBYWBMXFJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950247766 674423252 /nfs/dbraw/zinc/42/32/52/674423252.db2.gz FPOMZOWBJIRZCX-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950674007 674433477 /nfs/dbraw/zinc/43/34/77/674433477.db2.gz QJFRJWLJGXXQNQ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCCC1 ZINC000735711272 598521376 /nfs/dbraw/zinc/52/13/76/598521376.db2.gz XOJQHVKBCKXZLG-HIFRSBDPSA-N 2 1 359.482 0.815 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000735882874 598530209 /nfs/dbraw/zinc/53/02/09/598530209.db2.gz USAOZUIWUSNSAN-ZIAGYGMSSA-N 2 1 359.482 0.815 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737498396 598530913 /nfs/dbraw/zinc/53/09/13/598530913.db2.gz FHMKFASSSFZEQQ-WCQYABFASA-N 2 1 356.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000736767326 598626942 /nfs/dbraw/zinc/62/69/42/598626942.db2.gz OTIYAOJUESDBIQ-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822478973 599446579 /nfs/dbraw/zinc/44/65/79/599446579.db2.gz WSMMFIHXHWLADO-ZDUSSCGKSA-N 2 1 356.438 0.680 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000953818561 674485072 /nfs/dbraw/zinc/48/50/72/674485072.db2.gz YGSOLIVBIPKBDO-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000953818561 674485074 /nfs/dbraw/zinc/48/50/74/674485074.db2.gz YGSOLIVBIPKBDO-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000953818561 674485076 /nfs/dbraw/zinc/48/50/76/674485076.db2.gz YGSOLIVBIPKBDO-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@@H+](CCC(=O)NCC(=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000830726988 601156592 /nfs/dbraw/zinc/15/65/92/601156592.db2.gz CIWBHRMHDPGFOT-UHFFFAOYSA-N 2 1 368.522 0.705 20 0 FCADMP C[N@H+](CCC(=O)NCC(=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000830726988 601156594 /nfs/dbraw/zinc/15/65/94/601156594.db2.gz CIWBHRMHDPGFOT-UHFFFAOYSA-N 2 1 368.522 0.705 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000956386704 674522577 /nfs/dbraw/zinc/52/25/77/674522577.db2.gz QYMBFRKMAWRVCV-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000956386704 674522580 /nfs/dbraw/zinc/52/25/80/674522580.db2.gz QYMBFRKMAWRVCV-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000041745812 665868870 /nfs/dbraw/zinc/86/88/70/665868870.db2.gz JXUPMSWVOFOKAE-INIZCTEOSA-N 2 1 369.579 0.925 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000041745812 665868872 /nfs/dbraw/zinc/86/88/72/665868872.db2.gz JXUPMSWVOFOKAE-INIZCTEOSA-N 2 1 369.579 0.925 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000041745812 665868873 /nfs/dbraw/zinc/86/88/73/665868873.db2.gz JXUPMSWVOFOKAE-INIZCTEOSA-N 2 1 369.579 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC000990763647 665930493 /nfs/dbraw/zinc/93/04/93/665930493.db2.gz OPGFUVIWJFDHGN-RCJHGTSTSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763647 665930496 /nfs/dbraw/zinc/93/04/96/665930496.db2.gz OPGFUVIWJFDHGN-RCJHGTSTSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)CC[NH+]1C ZINC000990763647 665930499 /nfs/dbraw/zinc/93/04/99/665930499.db2.gz OPGFUVIWJFDHGN-RCJHGTSTSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969703132 663190023 /nfs/dbraw/zinc/19/00/23/663190023.db2.gz DRZANYNGQWHBBB-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969703132 663190024 /nfs/dbraw/zinc/19/00/24/663190024.db2.gz DRZANYNGQWHBBB-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C(C)(C)C)C3=O)C2)CC[N@H+]1C ZINC001022101965 663404470 /nfs/dbraw/zinc/40/44/70/663404470.db2.gz AOQNOPXZYGSMFN-LJIZCISZSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001022109029 663405861 /nfs/dbraw/zinc/40/58/61/663405861.db2.gz BNVKFKOQJWVJSE-LJISPDSOSA-N 2 1 352.458 0.715 20 0 FCADMP CC1(C)CN(CCNC(=O)N2CCc3sc(CN)nc3C2)CCO1 ZINC000891471105 663408221 /nfs/dbraw/zinc/40/82/21/663408221.db2.gz GYGHGFDHQAMMNA-UHFFFAOYSA-N 2 1 353.492 0.780 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000891493709 663409550 /nfs/dbraw/zinc/40/95/50/663409550.db2.gz ZBQYNZGDWGNCIY-KRWDZBQOSA-N 2 1 350.463 0.929 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)n1C ZINC000891654575 663423865 /nfs/dbraw/zinc/42/38/65/663423865.db2.gz KSSXMEGQDWQHPV-CQSZACIVSA-N 2 1 350.467 0.444 20 0 FCADMP [NH3+]CC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(F)F ZINC000892153367 663481850 /nfs/dbraw/zinc/48/18/50/663481850.db2.gz YKKWFVIUERXTCS-UONOGXRCSA-N 2 1 363.453 0.065 20 0 FCADMP CC(C)[C@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCOCC1 ZINC000924457922 663555518 /nfs/dbraw/zinc/55/55/18/663555518.db2.gz UUBGLSFQMNMNEJ-CVEARBPZSA-N 2 1 352.479 0.750 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnns3)C2)O1 ZINC001024037973 663867516 /nfs/dbraw/zinc/86/75/16/663867516.db2.gz DFVZYUSIAADCGV-UMVBOHGHSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnns3)C2)O1 ZINC001024037973 663867518 /nfs/dbraw/zinc/86/75/18/663867518.db2.gz DFVZYUSIAADCGV-UMVBOHGHSA-N 2 1 353.492 0.585 20 0 FCADMP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205250 663899940 /nfs/dbraw/zinc/89/99/40/663899940.db2.gz CRBJCXVNLLRYMB-RDJZCZTQSA-N 2 1 352.504 0.637 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001024446396 663943810 /nfs/dbraw/zinc/94/38/10/663943810.db2.gz DBDMKZUREHBSNG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001024446396 663943813 /nfs/dbraw/zinc/94/38/13/663943813.db2.gz DBDMKZUREHBSNG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001024446396 663943814 /nfs/dbraw/zinc/94/38/14/663943814.db2.gz DBDMKZUREHBSNG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001024446396 663943818 /nfs/dbraw/zinc/94/38/18/663943818.db2.gz DBDMKZUREHBSNG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N2CCC2)CC[N@@H+]1C ZINC001024448647 663945268 /nfs/dbraw/zinc/94/52/68/663945268.db2.gz UGVXUPAMVPYBQZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N2CCC2)CC[N@H+]1C ZINC001024448647 663945269 /nfs/dbraw/zinc/94/52/69/663945269.db2.gz UGVXUPAMVPYBQZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC001024448647 663945271 /nfs/dbraw/zinc/94/52/71/663945271.db2.gz UGVXUPAMVPYBQZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC001024448647 663945273 /nfs/dbraw/zinc/94/52/73/663945273.db2.gz UGVXUPAMVPYBQZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCC2)CC[N@@H+]1C ZINC001024448646 663945324 /nfs/dbraw/zinc/94/53/24/663945324.db2.gz UGVXUPAMVPYBQZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCC2)CC[N@H+]1C ZINC001024448646 663945326 /nfs/dbraw/zinc/94/53/26/663945326.db2.gz UGVXUPAMVPYBQZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC001024448646 663945327 /nfs/dbraw/zinc/94/53/27/663945327.db2.gz UGVXUPAMVPYBQZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)CC[NH+]1C ZINC001024448646 663945329 /nfs/dbraw/zinc/94/53/29/663945329.db2.gz UGVXUPAMVPYBQZ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892820853 664146728 /nfs/dbraw/zinc/14/67/28/664146728.db2.gz WRONKVPUKAXYMP-VQHPVUNQSA-N 2 1 352.479 0.090 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CCOCC1 ZINC000892837528 664148979 /nfs/dbraw/zinc/14/89/79/664148979.db2.gz CTOUOGCLXLAOCL-HZMVEIRTSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000978174309 664432821 /nfs/dbraw/zinc/43/28/21/664432821.db2.gz FJEGRRNTSKDWMQ-DZVNLGKHSA-N 2 1 351.491 0.020 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001027892575 664472360 /nfs/dbraw/zinc/47/23/60/664472360.db2.gz ZLMWYBOUSGBIPQ-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001027892575 664472363 /nfs/dbraw/zinc/47/23/63/664472363.db2.gz ZLMWYBOUSGBIPQ-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001027892575 664472364 /nfs/dbraw/zinc/47/23/64/664472364.db2.gz ZLMWYBOUSGBIPQ-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001027892575 664472366 /nfs/dbraw/zinc/47/23/66/664472366.db2.gz ZLMWYBOUSGBIPQ-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001027892619 664472487 /nfs/dbraw/zinc/47/24/87/664472487.db2.gz ZTOAFQZBFFWZOT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001027892619 664472488 /nfs/dbraw/zinc/47/24/88/664472488.db2.gz ZTOAFQZBFFWZOT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001027892619 664472491 /nfs/dbraw/zinc/47/24/91/664472491.db2.gz ZTOAFQZBFFWZOT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001027892619 664472493 /nfs/dbraw/zinc/47/24/93/664472493.db2.gz ZTOAFQZBFFWZOT-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000980225287 664473048 /nfs/dbraw/zinc/47/30/48/664473048.db2.gz GYHNWMLADGQUGP-RDHHWEPZSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCF)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001028043087 664816420 /nfs/dbraw/zinc/81/64/20/664816420.db2.gz GENYIVWZLSATCR-BBWFWOEESA-N 2 1 357.470 0.806 20 0 FCADMP CC(C)N1CC[C@H](N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196402 664816663 /nfs/dbraw/zinc/81/66/63/664816663.db2.gz CKSDZTWEGFHFNM-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000981196402 664816665 /nfs/dbraw/zinc/81/66/65/664816665.db2.gz CKSDZTWEGFHFNM-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000981196402 664816666 /nfs/dbraw/zinc/81/66/66/664816666.db2.gz CKSDZTWEGFHFNM-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196402 664816668 /nfs/dbraw/zinc/81/66/68/664816668.db2.gz CKSDZTWEGFHFNM-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196402 664816670 /nfs/dbraw/zinc/81/66/70/664816670.db2.gz CKSDZTWEGFHFNM-ZACQAIPSSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(CC(=O)NC3CCCC3)CC2)CC[N@H+]1C ZINC000981194253 664817091 /nfs/dbraw/zinc/81/70/91/664817091.db2.gz OMQRMZQKMVJUFO-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205247 664837578 /nfs/dbraw/zinc/83/75/78/664837578.db2.gz CRBJCXVNLLRYMB-NVXWUHKLSA-N 2 1 352.504 0.637 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778774 664839502 /nfs/dbraw/zinc/83/95/02/664839502.db2.gz PLOISJZMQXCSHE-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000981778774 664839509 /nfs/dbraw/zinc/83/95/09/664839509.db2.gz PLOISJZMQXCSHE-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778774 664839512 /nfs/dbraw/zinc/83/95/12/664839512.db2.gz PLOISJZMQXCSHE-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699245 664860245 /nfs/dbraw/zinc/86/02/45/664860245.db2.gz IQYAXKGPHBLVRL-IAGOWNOFSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001028549550 664901635 /nfs/dbraw/zinc/90/16/35/664901635.db2.gz BAPNZEVWKPLJJE-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001028549550 664901637 /nfs/dbraw/zinc/90/16/37/664901637.db2.gz BAPNZEVWKPLJJE-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001028549550 664901638 /nfs/dbraw/zinc/90/16/38/664901638.db2.gz BAPNZEVWKPLJJE-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001028552958 664902383 /nfs/dbraw/zinc/90/23/83/664902383.db2.gz WTBCJUSYPSMOKS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001028552958 664902386 /nfs/dbraw/zinc/90/23/86/664902386.db2.gz WTBCJUSYPSMOKS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001028552958 664902388 /nfs/dbraw/zinc/90/23/88/664902388.db2.gz WTBCJUSYPSMOKS-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP Cn1nc(Br)nc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894254959 664938213 /nfs/dbraw/zinc/93/82/13/664938213.db2.gz VPKBZMQKGSSQIY-LLVKDONJSA-N 2 1 357.300 0.836 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCCOC2)O1 ZINC001029356772 665018827 /nfs/dbraw/zinc/01/88/27/665018827.db2.gz VSHXCFYZCBNXLV-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCCOC2)O1 ZINC001029356772 665018830 /nfs/dbraw/zinc/01/88/30/665018830.db2.gz VSHXCFYZCBNXLV-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCOC2)O1 ZINC001029356772 665018832 /nfs/dbraw/zinc/01/88/32/665018832.db2.gz VSHXCFYZCBNXLV-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCOC2)O1 ZINC001029356772 665018835 /nfs/dbraw/zinc/01/88/35/665018835.db2.gz VSHXCFYZCBNXLV-MDMSPXHWSA-N 2 1 351.491 0.807 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984692301 665091044 /nfs/dbraw/zinc/09/10/44/665091044.db2.gz ORMUGSQSEKYSRN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728450799 665146572 /nfs/dbraw/zinc/14/65/72/665146572.db2.gz HSTNJOVUWVAVRD-MRXNPFEDSA-N 2 1 367.563 0.585 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985492189 665171087 /nfs/dbraw/zinc/17/10/87/665171087.db2.gz UTSJHGAIEKJEBH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766564 665171292 /nfs/dbraw/zinc/17/12/92/665171292.db2.gz DBPTXRJKDWEZIB-BFYDXBDKSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766564 665171293 /nfs/dbraw/zinc/17/12/93/665171293.db2.gz DBPTXRJKDWEZIB-BFYDXBDKSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766564 665171295 /nfs/dbraw/zinc/17/12/95/665171295.db2.gz DBPTXRJKDWEZIB-BFYDXBDKSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766564 665171297 /nfs/dbraw/zinc/17/12/97/665171297.db2.gz DBPTXRJKDWEZIB-BFYDXBDKSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029769161 665172081 /nfs/dbraw/zinc/17/20/81/665172081.db2.gz UCHSADCJHXDYLG-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029769161 665172082 /nfs/dbraw/zinc/17/20/82/665172082.db2.gz UCHSADCJHXDYLG-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029769161 665172083 /nfs/dbraw/zinc/17/20/83/665172083.db2.gz UCHSADCJHXDYLG-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1ncoc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029769161 665172085 /nfs/dbraw/zinc/17/20/85/665172085.db2.gz UCHSADCJHXDYLG-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)C[C@@H]3CCOC3)CC2)O1 ZINC001029973433 665221893 /nfs/dbraw/zinc/22/18/93/665221893.db2.gz BJPUJUZDCFZALH-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)C[C@@H]3CCOC3)CC2)O1 ZINC001029973433 665221895 /nfs/dbraw/zinc/22/18/95/665221895.db2.gz BJPUJUZDCFZALH-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)C[C@@H]3CCOC3)CC2)O1 ZINC001029973433 665221896 /nfs/dbraw/zinc/22/18/96/665221896.db2.gz BJPUJUZDCFZALH-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)C[C@@H]3CCOC3)CC2)O1 ZINC001029973433 665221898 /nfs/dbraw/zinc/22/18/98/665221898.db2.gz BJPUJUZDCFZALH-BPQIPLTHSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000987954886 665271254 /nfs/dbraw/zinc/27/12/54/665271254.db2.gz XUTPBUCGFHZQHN-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987964379 665271746 /nfs/dbraw/zinc/27/17/46/665271746.db2.gz SVVXQGAPVUTECW-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000988099225 665275468 /nfs/dbraw/zinc/27/54/68/665275468.db2.gz ULPXHZXKOUMTFU-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000988099225 665275469 /nfs/dbraw/zinc/27/54/69/665275469.db2.gz ULPXHZXKOUMTFU-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000988099225 665275470 /nfs/dbraw/zinc/27/54/70/665275470.db2.gz ULPXHZXKOUMTFU-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000938041058 665313321 /nfs/dbraw/zinc/31/33/21/665313321.db2.gz QGLKALNCIPVNIJ-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc(N2CCC([NH2+]C[C@H](O)C[C@]3(O)CCOC3)CC2)nc(C)[nH+]1 ZINC000905154272 666007084 /nfs/dbraw/zinc/00/70/84/666007084.db2.gz IVFCBAQBXXNYLO-SJLPKXTDSA-N 2 1 350.463 0.554 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC000905361584 666019378 /nfs/dbraw/zinc/01/93/78/666019378.db2.gz HGRFWOGZYKHCKX-QGZVFWFLSA-N 2 1 353.488 0.971 20 0 FCADMP [NH3+]C1CC[NH+](CCNc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000905707648 666035336 /nfs/dbraw/zinc/03/53/36/666035336.db2.gz VUKIXVNJUVBZGB-UHFFFAOYSA-N 2 1 353.492 0.701 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)C1CCC([NH+]2CCOCC2)CC1 ZINC000908526073 666210204 /nfs/dbraw/zinc/21/02/04/666210204.db2.gz JZNAURZLNCKIOI-ABHNRTSZSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000419160302 674726682 /nfs/dbraw/zinc/72/66/82/674726682.db2.gz YWSHGQKLZSYKKH-VQIMIIECSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000910894109 666289673 /nfs/dbraw/zinc/28/96/73/666289673.db2.gz XEZVHIIETYXHSY-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000910894109 666289674 /nfs/dbraw/zinc/28/96/74/666289674.db2.gz XEZVHIIETYXHSY-KRWDZBQOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000910985404 666302016 /nfs/dbraw/zinc/30/20/16/666302016.db2.gz XNRQVURGOQXGLC-JYJNAYRXSA-N 2 1 350.507 0.953 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911931678 666382991 /nfs/dbraw/zinc/38/29/91/666382991.db2.gz BERLIBLIQGFEJE-OAHLLOKOSA-N 2 1 355.479 0.177 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCO)C2CC[NH+](C)CC2)C1 ZINC000911931678 666382995 /nfs/dbraw/zinc/38/29/95/666382995.db2.gz BERLIBLIQGFEJE-OAHLLOKOSA-N 2 1 355.479 0.177 20 0 FCADMP C[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000991421987 666492500 /nfs/dbraw/zinc/49/25/00/666492500.db2.gz STXSDEGDWPIDDK-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC[NH+]1C ZINC000941217556 666593560 /nfs/dbraw/zinc/59/35/60/666593560.db2.gz IXGBRLFZACIIAB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000941217556 666593561 /nfs/dbraw/zinc/59/35/61/666593561.db2.gz IXGBRLFZACIIAB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000941217556 666593563 /nfs/dbraw/zinc/59/35/63/666593563.db2.gz IXGBRLFZACIIAB-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000992205457 666624187 /nfs/dbraw/zinc/62/41/87/666624187.db2.gz IVZKGXHJHFKDJJ-RKHAHWSXSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000948386058 666688590 /nfs/dbraw/zinc/68/85/90/666688590.db2.gz SHYCTJQDTPKDGF-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000948386058 666688593 /nfs/dbraw/zinc/68/85/93/666688593.db2.gz SHYCTJQDTPKDGF-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC000948386058 666688595 /nfs/dbraw/zinc/68/85/95/666688595.db2.gz SHYCTJQDTPKDGF-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC000948386058 666688598 /nfs/dbraw/zinc/68/85/98/666688598.db2.gz SHYCTJQDTPKDGF-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000944050986 666824400 /nfs/dbraw/zinc/82/44/00/666824400.db2.gz UBDJQLWQZXQRSV-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000447951700 666825927 /nfs/dbraw/zinc/82/59/27/666825927.db2.gz NMVHNSWMEPDNPC-CVEARBPZSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000447951700 666825930 /nfs/dbraw/zinc/82/59/30/666825930.db2.gz NMVHNSWMEPDNPC-CVEARBPZSA-N 2 1 352.479 0.086 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000944185098 666834238 /nfs/dbraw/zinc/83/42/38/666834238.db2.gz VJKDGLVHHIKPDK-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000944185098 666834240 /nfs/dbraw/zinc/83/42/40/666834240.db2.gz VJKDGLVHHIKPDK-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000944185098 666834243 /nfs/dbraw/zinc/83/42/43/666834243.db2.gz VJKDGLVHHIKPDK-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC000996602001 666942856 /nfs/dbraw/zinc/94/28/56/666942856.db2.gz DDALBJPYZXHLLF-JKSUJKDBSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993839386 666943016 /nfs/dbraw/zinc/94/30/16/666943016.db2.gz ILQGOCTUJYOVPL-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000993928379 666947881 /nfs/dbraw/zinc/94/78/81/666947881.db2.gz FPMCLDLKBWWKRC-BFYDXBDKSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000993928379 666947883 /nfs/dbraw/zinc/94/78/83/666947883.db2.gz FPMCLDLKBWWKRC-BFYDXBDKSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000993928379 666947885 /nfs/dbraw/zinc/94/78/85/666947885.db2.gz FPMCLDLKBWWKRC-BFYDXBDKSA-N 2 1 350.507 0.632 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734263461 666959418 /nfs/dbraw/zinc/95/94/18/666959418.db2.gz ADKUZIFIFOPHRO-KRWDZBQOSA-N 2 1 354.495 0.651 20 0 FCADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000996714570 666964678 /nfs/dbraw/zinc/96/46/78/666964678.db2.gz BZIIWWIKCLNWLY-TZMCWYRMSA-N 2 1 367.519 0.900 20 0 FCADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000996714570 666964680 /nfs/dbraw/zinc/96/46/80/666964680.db2.gz BZIIWWIKCLNWLY-TZMCWYRMSA-N 2 1 367.519 0.900 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCc3ccns3)CC2)O1 ZINC000996717443 666966233 /nfs/dbraw/zinc/96/62/33/666966233.db2.gz LWTLMEGHMRKUBW-CZUORRHYSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCc3ccns3)CC2)O1 ZINC000996717443 666966235 /nfs/dbraw/zinc/96/62/35/666966235.db2.gz LWTLMEGHMRKUBW-CZUORRHYSA-N 2 1 352.504 0.985 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000999199519 667230686 /nfs/dbraw/zinc/23/06/86/667230686.db2.gz HKYZRVXXLJKYHD-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000999199017 667230838 /nfs/dbraw/zinc/23/08/38/667230838.db2.gz FURSYPOHCBIKME-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031686122 667268901 /nfs/dbraw/zinc/26/89/01/667268901.db2.gz JKRWNCPJZFVYAO-BHYGNILZSA-N 2 1 371.547 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031686122 667268902 /nfs/dbraw/zinc/26/89/02/667268902.db2.gz JKRWNCPJZFVYAO-BHYGNILZSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247042 667526578 /nfs/dbraw/zinc/52/65/78/667526578.db2.gz XZIUUDVZDJMMDQ-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002247042 667526582 /nfs/dbraw/zinc/52/65/82/667526582.db2.gz XZIUUDVZDJMMDQ-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002247042 667526586 /nfs/dbraw/zinc/52/65/86/667526586.db2.gz XZIUUDVZDJMMDQ-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247044 667526758 /nfs/dbraw/zinc/52/67/58/667526758.db2.gz XZIUUDVZDJMMDQ-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002247044 667526761 /nfs/dbraw/zinc/52/67/61/667526761.db2.gz XZIUUDVZDJMMDQ-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002247044 667526764 /nfs/dbraw/zinc/52/67/64/667526764.db2.gz XZIUUDVZDJMMDQ-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@@H](C)C(N)=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946597775 667677453 /nfs/dbraw/zinc/67/74/53/667677453.db2.gz JTKDOGMUNXHRGO-ZOFXXKQRSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597775 667677456 /nfs/dbraw/zinc/67/74/56/667677456.db2.gz JTKDOGMUNXHRGO-ZOFXXKQRSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]3CC2)CC[NH+]1C ZINC000946597775 667677460 /nfs/dbraw/zinc/67/74/60/667677460.db2.gz JTKDOGMUNXHRGO-ZOFXXKQRSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000946797081 667727730 /nfs/dbraw/zinc/72/77/30/667727730.db2.gz XNPXKVRXCHAFMG-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000946797081 667727736 /nfs/dbraw/zinc/72/77/36/667727736.db2.gz XNPXKVRXCHAFMG-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000946797081 667727738 /nfs/dbraw/zinc/72/77/38/667727738.db2.gz XNPXKVRXCHAFMG-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033838433 667739588 /nfs/dbraw/zinc/73/95/88/667739588.db2.gz OIMBCGNZRHZHBG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001033838433 667739590 /nfs/dbraw/zinc/73/95/90/667739590.db2.gz OIMBCGNZRHZHBG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001033838433 667739594 /nfs/dbraw/zinc/73/95/94/667739594.db2.gz OIMBCGNZRHZHBG-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005406892 667740435 /nfs/dbraw/zinc/74/04/35/667740435.db2.gz KFYPDKVZKOMVQA-CKEIUWERSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001034214679 667749318 /nfs/dbraw/zinc/74/93/18/667749318.db2.gz OVLLMQFNLTXZND-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001034214679 667749323 /nfs/dbraw/zinc/74/93/23/667749323.db2.gz OVLLMQFNLTXZND-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001034214679 667749327 /nfs/dbraw/zinc/74/93/27/667749327.db2.gz OVLLMQFNLTXZND-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001034214679 667749330 /nfs/dbraw/zinc/74/93/30/667749330.db2.gz OVLLMQFNLTXZND-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186807 667775565 /nfs/dbraw/zinc/77/55/65/667775565.db2.gz JWQYJXVONRHDPY-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186807 667775567 /nfs/dbraw/zinc/77/55/67/667775567.db2.gz JWQYJXVONRHDPY-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186807 667775570 /nfs/dbraw/zinc/77/55/70/667775570.db2.gz JWQYJXVONRHDPY-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370130 667776127 /nfs/dbraw/zinc/77/61/27/667776127.db2.gz IEVXSXFOFJAVAY-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370130 667776131 /nfs/dbraw/zinc/77/61/31/667776131.db2.gz IEVXSXFOFJAVAY-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCC3CCOCC3)CCO2)CC[N@H+]1C ZINC001035371984 667776632 /nfs/dbraw/zinc/77/66/32/667776632.db2.gz JQANKTFDXOSHGW-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCC3CCOCC3)CCO2)CC[NH+]1C ZINC001035371984 667776635 /nfs/dbraw/zinc/77/66/35/667776635.db2.gz JQANKTFDXOSHGW-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCC3CCOCC3)CCO2)CC[NH+]1C ZINC001035371984 667776641 /nfs/dbraw/zinc/77/66/41/667776641.db2.gz JQANKTFDXOSHGW-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1F ZINC000923345777 667826768 /nfs/dbraw/zinc/82/67/68/667826768.db2.gz NADDQTMGLWJRHC-CABCVRRESA-N 2 1 353.438 0.885 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923397069 667830940 /nfs/dbraw/zinc/83/09/40/667830940.db2.gz BRLXRLNZLGXIGQ-JKSUJKDBSA-N 2 1 351.495 0.785 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000946909181 667841537 /nfs/dbraw/zinc/84/15/37/667841537.db2.gz JOKPSIPDFARFTI-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000946909181 667841539 /nfs/dbraw/zinc/84/15/39/667841539.db2.gz JOKPSIPDFARFTI-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000946909181 667841541 /nfs/dbraw/zinc/84/15/41/667841541.db2.gz JOKPSIPDFARFTI-MUIFIZLQSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000946914268 667846111 /nfs/dbraw/zinc/84/61/11/667846111.db2.gz DKYWZFDQGVWJJD-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000946914268 667846114 /nfs/dbraw/zinc/84/61/14/667846114.db2.gz DKYWZFDQGVWJJD-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000946914268 667846117 /nfs/dbraw/zinc/84/61/17/667846117.db2.gz DKYWZFDQGVWJJD-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923535194 667846336 /nfs/dbraw/zinc/84/63/36/667846336.db2.gz ZJJANZDRPQUKAK-HKUYNNGSSA-N 2 1 352.523 0.677 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=S)NCC3CC[NH+](C)CC3)C2)CC1 ZINC000760484427 667851193 /nfs/dbraw/zinc/85/11/93/667851193.db2.gz JTPHQXAMCPWRDC-INIZCTEOSA-N 2 1 353.580 0.961 20 0 FCADMP C[NH+]1CCC(CNC(=S)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000760484427 667851198 /nfs/dbraw/zinc/85/11/98/667851198.db2.gz JTPHQXAMCPWRDC-INIZCTEOSA-N 2 1 353.580 0.961 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524799 668005141 /nfs/dbraw/zinc/00/51/41/668005141.db2.gz KVXXQEVTXJGNGB-GFCCVEGCSA-N 2 1 354.480 0.351 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608582 668038560 /nfs/dbraw/zinc/03/85/60/668038560.db2.gz FTQZBEZSWZSHJP-QWHCGFSZSA-N 2 1 355.508 0.417 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511553 668153929 /nfs/dbraw/zinc/15/39/29/668153929.db2.gz TUUAEAQOAWSZNZ-HOCLYGCPSA-N 2 1 350.463 0.080 20 0 FCADMP CN(CC[N@@H+](C)CCc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000774731878 668169048 /nfs/dbraw/zinc/16/90/48/668169048.db2.gz WGXSMGROSRXRDI-UHFFFAOYSA-N 2 1 368.547 0.834 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1C1CCOCC1)C2=O ZINC000776772473 668292161 /nfs/dbraw/zinc/29/21/61/668292161.db2.gz OGLMROURBZAJCD-HNNXBMFYSA-N 2 1 350.463 0.851 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H]1C1CCOCC1)C2=O ZINC000776772474 668292187 /nfs/dbraw/zinc/29/21/87/668292187.db2.gz OGLMROURBZAJCD-OAHLLOKOSA-N 2 1 350.463 0.851 20 0 FCADMP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000782270854 668552714 /nfs/dbraw/zinc/55/27/14/668552714.db2.gz MMTNBWNXPIQEOM-HNNXBMFYSA-N 2 1 353.463 0.542 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C1CC1 ZINC000819058706 668975215 /nfs/dbraw/zinc/97/52/15/668975215.db2.gz GHIYZOQCCOMZJN-ZDUSSCGKSA-N 2 1 355.451 0.296 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C1CC1 ZINC000819058706 668975219 /nfs/dbraw/zinc/97/52/19/668975219.db2.gz GHIYZOQCCOMZJN-ZDUSSCGKSA-N 2 1 355.451 0.296 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819146917 668983968 /nfs/dbraw/zinc/98/39/68/668983968.db2.gz SNSCEOJUTZJNJD-GFCCVEGCSA-N 2 1 359.414 0.345 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819146917 668983972 /nfs/dbraw/zinc/98/39/72/668983972.db2.gz SNSCEOJUTZJNJD-GFCCVEGCSA-N 2 1 359.414 0.345 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000796938214 669141104 /nfs/dbraw/zinc/14/11/04/669141104.db2.gz LLQIIOXKRXFIOZ-AFIMGQEJSA-N 2 1 357.495 0.961 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000796938214 669141106 /nfs/dbraw/zinc/14/11/06/669141106.db2.gz LLQIIOXKRXFIOZ-AFIMGQEJSA-N 2 1 357.495 0.961 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698766 669970664 /nfs/dbraw/zinc/97/06/64/669970664.db2.gz NQXBCERHNJREKD-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000834698766 669970666 /nfs/dbraw/zinc/97/06/66/669970666.db2.gz NQXBCERHNJREKD-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834698766 669970667 /nfs/dbraw/zinc/97/06/67/669970667.db2.gz NQXBCERHNJREKD-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834698766 669970670 /nfs/dbraw/zinc/97/06/70/669970670.db2.gz NQXBCERHNJREKD-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000818340448 670097251 /nfs/dbraw/zinc/09/72/51/670097251.db2.gz MPDDSFXIWDKYDR-CHWSQXEVSA-N 2 1 351.451 0.522 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841203408 670540626 /nfs/dbraw/zinc/54/06/26/670540626.db2.gz OBYBSJIIUUUBIQ-UHFFFAOYSA-N 2 1 367.881 0.708 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842050206 670630175 /nfs/dbraw/zinc/63/01/75/670630175.db2.gz PZRLSIYRVVUSRY-YYAJDYIMSA-N 2 1 350.507 0.824 20 0 FCADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843346421 670802494 /nfs/dbraw/zinc/80/24/94/670802494.db2.gz GULDFBQOQWALKW-CYBMUJFWSA-N 2 1 351.451 0.333 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843353498 670804204 /nfs/dbraw/zinc/80/42/04/670804204.db2.gz KJDGZSDWVSBLCG-CHWSQXEVSA-N 2 1 351.451 0.332 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)NC(=O)N[C@@H]1C ZINC000843385761 670810754 /nfs/dbraw/zinc/81/07/54/670810754.db2.gz VYSIJLMCYPZHKQ-OCCSQVGLSA-N 2 1 350.463 0.826 20 0 FCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844975413 670958009 /nfs/dbraw/zinc/95/80/09/670958009.db2.gz IOWPRACRVSFLPU-SJORKVTESA-N 2 1 352.479 0.090 20 0 FCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844975413 670958011 /nfs/dbraw/zinc/95/80/11/670958011.db2.gz IOWPRACRVSFLPU-SJORKVTESA-N 2 1 352.479 0.090 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000968009365 675177527 /nfs/dbraw/zinc/17/75/27/675177527.db2.gz JLDJTYDSFNNTJF-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000968009365 675177529 /nfs/dbraw/zinc/17/75/29/675177529.db2.gz JLDJTYDSFNNTJF-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000968009365 675177533 /nfs/dbraw/zinc/17/75/33/675177533.db2.gz JLDJTYDSFNNTJF-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000848715895 671292879 /nfs/dbraw/zinc/29/28/79/671292879.db2.gz QSPCDNJFLKAOAZ-JHJVBQTASA-N 2 1 364.412 0.715 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000848715895 671292881 /nfs/dbraw/zinc/29/28/81/671292881.db2.gz QSPCDNJFLKAOAZ-JHJVBQTASA-N 2 1 364.412 0.715 20 0 FCADMP CC(C)(C)OC(=O)N1CC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849018947 671316007 /nfs/dbraw/zinc/31/60/07/671316007.db2.gz QLEZVKRHLQUBHM-UHFFFAOYSA-N 2 1 355.483 0.690 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)COc1cccc(F)c1 ZINC000849059298 671316428 /nfs/dbraw/zinc/31/64/28/671316428.db2.gz JBGYKESNLWYCFY-OAHLLOKOSA-N 2 1 354.426 0.402 20 0 FCADMP COc1ccc(CCNC(=[NH2+])NCC[NH+]2CCC(O)CC2)cc1OC ZINC000849116840 671318876 /nfs/dbraw/zinc/31/88/76/671318876.db2.gz OGCKZFFWPUZAJE-UHFFFAOYSA-N 2 1 350.463 0.817 20 0 FCADMP O=S(=O)(Cc1ccon1)NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903107048 675913718 /nfs/dbraw/zinc/91/37/18/675913718.db2.gz KTXSKAPOONWLLR-VHRNVKJDSA-N 2 1 354.476 0.841 20 0 FCADMP O=S(=O)(Cc1ccon1)NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903107048 675913719 /nfs/dbraw/zinc/91/37/19/675913719.db2.gz KTXSKAPOONWLLR-VHRNVKJDSA-N 2 1 354.476 0.841 20 0 FCADMP C[C@@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000859271898 671806526 /nfs/dbraw/zinc/80/65/26/671806526.db2.gz JFINGEFHZUDJHU-XMTFNYHQSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000859271898 671806531 /nfs/dbraw/zinc/80/65/31/671806531.db2.gz JFINGEFHZUDJHU-XMTFNYHQSA-N 2 1 374.598 0.858 20 0 FCADMP C[C@@H]1C[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000859271898 671806538 /nfs/dbraw/zinc/80/65/38/671806538.db2.gz JFINGEFHZUDJHU-XMTFNYHQSA-N 2 1 374.598 0.858 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@@H](CO)[C@H](O)C1)CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000859275346 671807432 /nfs/dbraw/zinc/80/74/32/671807432.db2.gz HWKZUGDSAXZHLR-XMTFNYHQSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000859275346 671807436 /nfs/dbraw/zinc/80/74/36/671807436.db2.gz HWKZUGDSAXZHLR-XMTFNYHQSA-N 2 1 374.598 0.045 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](CO)[C@H](O)C1)CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000859275346 671807439 /nfs/dbraw/zinc/80/74/39/671807439.db2.gz HWKZUGDSAXZHLR-XMTFNYHQSA-N 2 1 374.598 0.045 20 0 FCADMP O=S1(=O)CCCN1[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903756824 675968452 /nfs/dbraw/zinc/96/84/52/675968452.db2.gz WGXCLQSTQXMMDR-HOTGVXAUSA-N 2 1 357.520 0.645 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CC[NH2+]CC1 ZINC000903713423 675963042 /nfs/dbraw/zinc/96/30/42/675963042.db2.gz PWVILTDKTBBZPF-IRXDYDNUSA-N 3 1 350.507 0.289 20 0 FCADMP O=C([C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713423 675963045 /nfs/dbraw/zinc/96/30/45/675963045.db2.gz PWVILTDKTBBZPF-IRXDYDNUSA-N 2 1 350.507 0.289 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCNCC1 ZINC000903713423 675963048 /nfs/dbraw/zinc/96/30/48/675963048.db2.gz PWVILTDKTBBZPF-IRXDYDNUSA-N 2 1 350.507 0.289 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903729604 675964591 /nfs/dbraw/zinc/96/45/91/675964591.db2.gz PHSGGGWDQPRDBQ-IAGOWNOFSA-N 2 1 351.491 0.858 20 0 FCADMP NS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903780566 675972823 /nfs/dbraw/zinc/97/28/23/675972823.db2.gz IYSUCNLKKPBJOW-HNNXBMFYSA-N 2 1 365.499 0.851 20 0 FCADMP NS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903780566 675972825 /nfs/dbraw/zinc/97/28/25/675972825.db2.gz IYSUCNLKKPBJOW-HNNXBMFYSA-N 2 1 365.499 0.851 20 0 FCADMP COC(=O)[C@]12C[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C[C@H]1COCC2 ZINC000903918091 675982446 /nfs/dbraw/zinc/98/24/46/675982446.db2.gz RRNGJIQXHWKCCU-QILLFSRXSA-N 2 1 350.463 0.357 20 0 FCADMP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866709563 672290811 /nfs/dbraw/zinc/29/08/11/672290811.db2.gz KWSIMPUEHABWFW-OAGGEKHMSA-N 2 1 350.463 0.500 20 0 FCADMP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866709563 672290814 /nfs/dbraw/zinc/29/08/14/672290814.db2.gz KWSIMPUEHABWFW-OAGGEKHMSA-N 2 1 350.463 0.500 20 0 FCADMP CSCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055512471 676021896 /nfs/dbraw/zinc/02/18/96/676021896.db2.gz QZTXXOADPDTLIS-GDBMZVCRSA-N 2 1 370.563 0.777 20 0 FCADMP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055534348 676022637 /nfs/dbraw/zinc/02/26/37/676022637.db2.gz GTUDWUYWEIDWPB-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001055583363 676025362 /nfs/dbraw/zinc/02/53/62/676025362.db2.gz KYMJTJYIFFIJIN-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583553 676025475 /nfs/dbraw/zinc/02/54/75/676025475.db2.gz RZENXZKCSSFAJN-IIAWOOMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055650545 676029754 /nfs/dbraw/zinc/02/97/54/676029754.db2.gz ZRFQDLSNAKWOKT-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048778 672823572 /nfs/dbraw/zinc/82/35/72/672823572.db2.gz WAIFVOGIAKQZNP-KURKYZTESA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048778 672823575 /nfs/dbraw/zinc/82/35/75/672823575.db2.gz WAIFVOGIAKQZNP-KURKYZTESA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048778 672823582 /nfs/dbraw/zinc/82/35/82/672823582.db2.gz WAIFVOGIAKQZNP-KURKYZTESA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000875048775 672823606 /nfs/dbraw/zinc/82/36/06/672823606.db2.gz WAIFVOGIAKQZNP-KSZLIROESA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048775 672823611 /nfs/dbraw/zinc/82/36/11/672823611.db2.gz WAIFVOGIAKQZNP-KSZLIROESA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000875048775 672823617 /nfs/dbraw/zinc/82/36/17/672823617.db2.gz WAIFVOGIAKQZNP-KSZLIROESA-N 2 1 351.539 0.994 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001001420298 676071398 /nfs/dbraw/zinc/07/13/98/676071398.db2.gz GGHOCPFQQRBJJJ-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420539 676071594 /nfs/dbraw/zinc/07/15/94/676071594.db2.gz KSDOQOLXVSYQME-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531198 676075465 /nfs/dbraw/zinc/07/54/65/676075465.db2.gz BWKVMPIXEGXAHH-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531198 676075466 /nfs/dbraw/zinc/07/54/66/676075466.db2.gz BWKVMPIXEGXAHH-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CCCOC3)CC2)O1 ZINC001001531153 676075573 /nfs/dbraw/zinc/07/55/73/676075573.db2.gz BFGMUBUGNYFVCW-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CCCOC3)CC2)O1 ZINC001001531153 676075575 /nfs/dbraw/zinc/07/55/75/676075575.db2.gz BFGMUBUGNYFVCW-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)ccn1 ZINC000877162819 673000458 /nfs/dbraw/zinc/00/04/58/673000458.db2.gz KYNKHSMZDOZOSE-UHFFFAOYSA-N 2 1 364.471 0.959 20 0 FCADMP CN1CC[NH+](CC2CC[NH+](Cc3cccc(S(N)(=O)=O)c3)CC2)CC1 ZINC000877525196 673018022 /nfs/dbraw/zinc/01/80/22/673018022.db2.gz UTIUPAYDNLPIRX-UHFFFAOYSA-N 2 1 366.531 0.793 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CCCS(=O)(=O)C(C)(C)C)CC1 ZINC000878230498 673048849 /nfs/dbraw/zinc/04/88/49/673048849.db2.gz NKALOWDCVROJOZ-UHFFFAOYSA-N 2 1 361.552 0.980 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000878980795 673091555 /nfs/dbraw/zinc/09/15/55/673091555.db2.gz FJGIRLFTDUORBA-XMTFNYHQSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000878980795 673091562 /nfs/dbraw/zinc/09/15/62/673091562.db2.gz FJGIRLFTDUORBA-XMTFNYHQSA-N 2 1 374.598 0.330 20 0 FCADMP C[C@]1(CO)C[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000878980795 673091569 /nfs/dbraw/zinc/09/15/69/673091569.db2.gz FJGIRLFTDUORBA-XMTFNYHQSA-N 2 1 374.598 0.330 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)oc1C ZINC001051622171 676106645 /nfs/dbraw/zinc/10/66/45/676106645.db2.gz OXDRRPIGPNGIFO-VNQPRFMTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)oc1C ZINC001051622171 676106647 /nfs/dbraw/zinc/10/66/47/676106647.db2.gz OXDRRPIGPNGIFO-VNQPRFMTSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001051625322 676106987 /nfs/dbraw/zinc/10/69/87/676106987.db2.gz YVXNLOPTPCAMOO-KBRIMQKVSA-N 2 1 350.438 0.878 20 0 FCADMP CC(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043395 676113640 /nfs/dbraw/zinc/11/36/40/676113640.db2.gz XFLFKUMQMFJODW-KZNAEPCWSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043395 676113642 /nfs/dbraw/zinc/11/36/42/676113642.db2.gz XFLFKUMQMFJODW-KZNAEPCWSA-N 2 1 352.523 0.580 20 0 FCADMP C[N@@H+](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@H]1CCSC1 ZINC000881623523 673233582 /nfs/dbraw/zinc/23/35/82/673233582.db2.gz ITCSEFUFYPWISG-HNNXBMFYSA-N 2 1 368.547 0.756 20 0 FCADMP Cn1nc2c(c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CSCC2 ZINC000882985283 673362566 /nfs/dbraw/zinc/36/25/66/673362566.db2.gz QJJOHOXMVBDPKX-CYBMUJFWSA-N 2 1 351.520 0.886 20 0 FCADMP Cn1nc2c(c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CSCC2 ZINC000882985283 673362571 /nfs/dbraw/zinc/36/25/71/673362571.db2.gz QJJOHOXMVBDPKX-CYBMUJFWSA-N 2 1 351.520 0.886 20 0 FCADMP CCS(=O)(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130652676 673362595 /nfs/dbraw/zinc/36/25/95/673362595.db2.gz YPBPUEIHWWVXED-UHFFFAOYSA-N 2 1 361.552 0.837 20 0 FCADMP CC(C)[N@@H+](C)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883285530 673370526 /nfs/dbraw/zinc/37/05/26/673370526.db2.gz RVNGTNCLIFSCMM-UHFFFAOYSA-N 2 1 353.511 0.842 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@@H]3CCCS3(=O)=O)cn2)CC1 ZINC000883298778 673371022 /nfs/dbraw/zinc/37/10/22/673371022.db2.gz BYPNDRYEVRCZFH-HNNXBMFYSA-N 2 1 353.492 0.285 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000883646550 673388497 /nfs/dbraw/zinc/38/84/97/673388497.db2.gz UMNMFZJWDKTJOG-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000883689672 673391152 /nfs/dbraw/zinc/39/11/52/673391152.db2.gz RERGBOUEYSJSNZ-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])CC3CC3)CC2)CC1 ZINC000884213918 673438708 /nfs/dbraw/zinc/43/87/08/673438708.db2.gz PBCFMPXRPRADLY-QGZVFWFLSA-N 2 1 350.507 0.907 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884486259 673456596 /nfs/dbraw/zinc/45/65/96/673456596.db2.gz RQKLFLMXNLHLKJ-KKUMJFAQSA-N 2 1 362.499 0.649 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504055 673457596 /nfs/dbraw/zinc/45/75/96/673457596.db2.gz ZVHSSGNVPITMLO-KGLIPLIRSA-N 2 1 360.449 0.584 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555440 673461911 /nfs/dbraw/zinc/46/19/11/673461911.db2.gz RKFPPFUHDQTMIM-PWSUYJOCSA-N 2 1 363.487 0.085 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555441 673461942 /nfs/dbraw/zinc/46/19/42/673461942.db2.gz RKFPPFUHDQTMIM-ZYHUDNBSSA-N 2 1 363.487 0.085 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1ccsc1 ZINC000884576135 673463211 /nfs/dbraw/zinc/46/32/11/673463211.db2.gz ATGLHECRYQMRPP-QLFBSQMISA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000884576628 673463487 /nfs/dbraw/zinc/46/34/87/673463487.db2.gz MBIOQVFPEKGLOQ-STQMWFEESA-N 2 1 374.457 0.828 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884601782 673465007 /nfs/dbraw/zinc/46/50/07/673465007.db2.gz VSIQIVXPGQLWGE-LLVKDONJSA-N 2 1 353.492 0.333 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884601297 673465031 /nfs/dbraw/zinc/46/50/31/673465031.db2.gz HEKBXQQNNHOZCE-TUAOUCFPSA-N 2 1 352.401 0.429 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884649750 673469842 /nfs/dbraw/zinc/46/98/42/673469842.db2.gz NSRLVYJXFCVSDE-GXTWGEPZSA-N 2 1 358.433 0.481 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000884670325 673471157 /nfs/dbraw/zinc/47/11/57/673471157.db2.gz WGQKKYUXSWUVSW-YVECIDJPSA-N 2 1 362.396 0.325 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000884669669 673471190 /nfs/dbraw/zinc/47/11/90/673471190.db2.gz CJWJDGUGFJSPDJ-YPMHNXCESA-N 2 1 363.487 0.230 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000884787602 673482383 /nfs/dbraw/zinc/48/23/83/673482383.db2.gz WYGZYJDIHMSZMC-LLVKDONJSA-N 2 1 351.476 0.087 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC[C@@H]21 ZINC000884879732 673488185 /nfs/dbraw/zinc/48/81/85/673488185.db2.gz MFEPVVUYRMMMNY-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP [NH3+][C@@H](CCNC(=O)C(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000884888358 673489063 /nfs/dbraw/zinc/48/90/63/673489063.db2.gz WCJGPGFTNKKNKG-INIZCTEOSA-N 2 1 364.515 0.228 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000885007866 673497407 /nfs/dbraw/zinc/49/74/07/673497407.db2.gz LVFPYDIBXQSBST-ZOFXXKQRSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H](C)C1 ZINC000885015205 673498545 /nfs/dbraw/zinc/49/85/45/673498545.db2.gz VTFRLQBDAKGRGI-VIQHNZTISA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000885144455 673505669 /nfs/dbraw/zinc/50/56/69/673505669.db2.gz IFSGVNPQGTZGSM-HNNXBMFYSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000885276628 673511465 /nfs/dbraw/zinc/51/14/65/673511465.db2.gz SGVZWPXFNGRTCL-MGPQQGTHSA-N 2 1 360.449 0.584 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285763 673512188 /nfs/dbraw/zinc/51/21/88/673512188.db2.gz SSCXGTQYRHEEQV-KGLIPLIRSA-N 2 1 360.449 0.538 20 0 FCADMP CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000887068058 673618540 /nfs/dbraw/zinc/61/85/40/673618540.db2.gz FCKVASUYIUKEAU-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000887068759 673618838 /nfs/dbraw/zinc/61/88/38/673618838.db2.gz RHPJFZMXHDNFPF-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000887068759 673618843 /nfs/dbraw/zinc/61/88/43/673618843.db2.gz RHPJFZMXHDNFPF-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755272 673685692 /nfs/dbraw/zinc/68/56/92/673685692.db2.gz FIPIIJDIWYBNRI-BZSNNMDCSA-N 2 1 351.491 0.687 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000926443130 673831421 /nfs/dbraw/zinc/83/14/21/673831421.db2.gz NXILHFOXQLFRPY-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000926443130 673831424 /nfs/dbraw/zinc/83/14/24/673831424.db2.gz NXILHFOXQLFRPY-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC000927637131 673873645 /nfs/dbraw/zinc/87/36/45/673873645.db2.gz NSLPQZZROTXJPM-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[C@H](C)C1 ZINC000927637131 673873647 /nfs/dbraw/zinc/87/36/47/673873647.db2.gz NSLPQZZROTXJPM-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@H](C)C1 ZINC000927637131 673873648 /nfs/dbraw/zinc/87/36/48/673873648.db2.gz NSLPQZZROTXJPM-VYDXJSESSA-N 2 1 354.495 0.336 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000929497840 673959462 /nfs/dbraw/zinc/95/94/62/673959462.db2.gz NDLCQALIONKPIH-UHFFFAOYSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929509335 673960342 /nfs/dbraw/zinc/96/03/42/673960342.db2.gz JPLGBPBKNUFWGS-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000929509335 673960345 /nfs/dbraw/zinc/96/03/45/673960345.db2.gz JPLGBPBKNUFWGS-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929509335 673960347 /nfs/dbraw/zinc/96/03/47/673960347.db2.gz JPLGBPBKNUFWGS-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000929509335 673960349 /nfs/dbraw/zinc/96/03/49/673960349.db2.gz JPLGBPBKNUFWGS-NVXWUHKLSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000929537393 673961854 /nfs/dbraw/zinc/96/18/54/673961854.db2.gz XRQWQARMEUNENB-AWEZNQCLSA-N 2 1 354.520 0.285 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCS(C)(=O)=O)CC[N@@H+]1C ZINC000968867489 675242116 /nfs/dbraw/zinc/24/21/16/675242116.db2.gz XEXQPNMZRVZHEO-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCS(C)(=O)=O)CC[N@H+]1C ZINC000968867489 675242118 /nfs/dbraw/zinc/24/21/18/675242118.db2.gz XEXQPNMZRVZHEO-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC000968867489 675242119 /nfs/dbraw/zinc/24/21/19/675242119.db2.gz XEXQPNMZRVZHEO-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC000968867489 675242120 /nfs/dbraw/zinc/24/21/20/675242120.db2.gz XEXQPNMZRVZHEO-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001016685623 675404238 /nfs/dbraw/zinc/40/42/38/675404238.db2.gz WMRJIQOZAXNYKJ-LHUBUQBQSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001019032175 675420039 /nfs/dbraw/zinc/42/00/39/675420039.db2.gz KCPIPINAVJNYCO-VHDGCEQUSA-N 2 1 355.870 0.446 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001019032175 675420041 /nfs/dbraw/zinc/42/00/41/675420041.db2.gz KCPIPINAVJNYCO-VHDGCEQUSA-N 2 1 355.870 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCNC(=O)CC3)C2)CC[N@H+]1C ZINC001020174656 675436473 /nfs/dbraw/zinc/43/64/73/675436473.db2.gz KWMCJSKQDGENEL-QUSNUVHPSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287791 675439700 /nfs/dbraw/zinc/43/97/00/675439700.db2.gz LEFLVXHRGFEMEP-BPGGGUHBSA-N 2 1 369.897 0.838 20 0 FCADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287791 675439702 /nfs/dbraw/zinc/43/97/02/675439702.db2.gz LEFLVXHRGFEMEP-BPGGGUHBSA-N 2 1 369.897 0.838 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC001045781451 675657960 /nfs/dbraw/zinc/65/79/60/675657960.db2.gz MSTDPDAVBROJND-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001045781451 675657962 /nfs/dbraw/zinc/65/79/62/675657962.db2.gz MSTDPDAVBROJND-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC001045781451 675657964 /nfs/dbraw/zinc/65/79/64/675657964.db2.gz MSTDPDAVBROJND-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000900438761 675681571 /nfs/dbraw/zinc/68/15/71/675681571.db2.gz DFSJBIDRGDPAIC-OWCLPIDISA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000900438761 675681572 /nfs/dbraw/zinc/68/15/72/675681572.db2.gz DFSJBIDRGDPAIC-OWCLPIDISA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000900438761 675681574 /nfs/dbraw/zinc/68/15/74/675681574.db2.gz DFSJBIDRGDPAIC-OWCLPIDISA-N 2 1 353.463 0.241 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000900438761 675681577 /nfs/dbraw/zinc/68/15/77/675681577.db2.gz DFSJBIDRGDPAIC-OWCLPIDISA-N 2 1 353.463 0.241 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)N1CCCC1 ZINC000900480569 675686602 /nfs/dbraw/zinc/68/66/02/675686602.db2.gz ICIJLZSQGPJTTE-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000900844996 675723374 /nfs/dbraw/zinc/72/33/74/675723374.db2.gz IZXUOCXLDYQTTQ-QZTJIDSGSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000901229195 675773411 /nfs/dbraw/zinc/77/34/11/675773411.db2.gz QUXBHUNOIZDUHU-UHFFFAOYSA-N 2 1 354.539 0.708 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000901229195 675773414 /nfs/dbraw/zinc/77/34/14/675773414.db2.gz QUXBHUNOIZDUHU-UHFFFAOYSA-N 2 1 354.539 0.708 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000901229195 675773415 /nfs/dbraw/zinc/77/34/15/675773415.db2.gz QUXBHUNOIZDUHU-UHFFFAOYSA-N 2 1 354.539 0.708 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC2(CCO)CC[NH+](C)CC2)CC1 ZINC000901347226 675784509 /nfs/dbraw/zinc/78/45/09/675784509.db2.gz WSFNDRKGPAUHOP-UHFFFAOYSA-N 2 1 354.539 0.756 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccns3)C[C@@H]2O)CC[N@H+]1C ZINC001047385139 675795702 /nfs/dbraw/zinc/79/57/02/675795702.db2.gz APLVZGSTZNMGOS-YVSFHVDLSA-N 2 1 366.531 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001047385139 675795705 /nfs/dbraw/zinc/79/57/05/675795705.db2.gz APLVZGSTZNMGOS-YVSFHVDLSA-N 2 1 366.531 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001047385139 675795707 /nfs/dbraw/zinc/79/57/07/675795707.db2.gz APLVZGSTZNMGOS-YVSFHVDLSA-N 2 1 366.531 0.919 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000897497143 1192213570 /nfs/dbraw/zinc/21/35/70/1192213570.db2.gz VUMXMPQPXXEVIF-NXHRZFHOSA-N 2 1 371.485 0.862 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969223603 1167822956 /nfs/dbraw/zinc/82/29/56/1167822956.db2.gz MEEZRXMCBBLVJL-ZACQAIPSSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000969429567 1167951893 /nfs/dbraw/zinc/95/18/93/1167951893.db2.gz LPZKXGZFQKICAR-WCXIOVBPSA-N 2 1 360.502 0.624 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000969428415 1167952483 /nfs/dbraw/zinc/95/24/83/1167952483.db2.gz OPTRMYDKWXFOFN-MDMSPXHWSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000969428415 1167952487 /nfs/dbraw/zinc/95/24/87/1167952487.db2.gz OPTRMYDKWXFOFN-MDMSPXHWSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000969428415 1167952491 /nfs/dbraw/zinc/95/24/91/1167952491.db2.gz OPTRMYDKWXFOFN-MDMSPXHWSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1nc(C)c(C)c(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001125299769 1167985911 /nfs/dbraw/zinc/98/59/11/1167985911.db2.gz WZPQSOCRTBFXEG-HYVNUMGLSA-N 2 1 363.506 0.998 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001020614350 1168162019 /nfs/dbraw/zinc/16/20/19/1168162019.db2.gz WFKQSMPVOCMJHG-DZVNLGKHSA-N 2 1 356.470 0.457 20 0 FCADMP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092959 1168165703 /nfs/dbraw/zinc/16/57/03/1168165703.db2.gz JCPBKWXLXOECQC-MSOLQXFVSA-N 2 1 360.502 0.954 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnnn1C ZINC001021384944 1169191479 /nfs/dbraw/zinc/19/14/79/1169191479.db2.gz HVJMXSYLCYOWFE-KGJWKZNZSA-N 2 1 369.473 0.964 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnnn1C ZINC001021384944 1169191483 /nfs/dbraw/zinc/19/14/83/1169191483.db2.gz HVJMXSYLCYOWFE-KGJWKZNZSA-N 2 1 369.473 0.964 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266560416 1169412184 /nfs/dbraw/zinc/41/21/84/1169412184.db2.gz LUWUWWKVEGFQTK-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266560416 1169412191 /nfs/dbraw/zinc/41/21/91/1169412191.db2.gz LUWUWWKVEGFQTK-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266560416 1169412204 /nfs/dbraw/zinc/41/22/04/1169412204.db2.gz LUWUWWKVEGFQTK-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266560416 1169412208 /nfs/dbraw/zinc/41/22/08/1169412208.db2.gz LUWUWWKVEGFQTK-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001266560416 1169412217 /nfs/dbraw/zinc/41/22/17/1169412217.db2.gz LUWUWWKVEGFQTK-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104291808 1169659275 /nfs/dbraw/zinc/65/92/75/1169659275.db2.gz VYNVIXIZZCWMSJ-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cccnc3)C2)CC[N@H+]1C ZINC001266593649 1169797877 /nfs/dbraw/zinc/79/78/77/1169797877.db2.gz RACUSHKALUNACJ-MWQQHZPXSA-N 2 1 359.474 0.275 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001087135527 1169893247 /nfs/dbraw/zinc/89/32/47/1169893247.db2.gz MHEGRUWSGGUDGD-PMPSAXMXSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001087135527 1169893249 /nfs/dbraw/zinc/89/32/49/1169893249.db2.gz MHEGRUWSGGUDGD-PMPSAXMXSA-N 2 1 363.510 0.894 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751639 1169980675 /nfs/dbraw/zinc/98/06/75/1169980675.db2.gz KBQGNECLWKCZFR-RCCFBDPRSA-N 2 1 371.485 0.593 20 0 FCADMP CN1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+](C)CC1 ZINC000888978103 1170016465 /nfs/dbraw/zinc/01/64/65/1170016465.db2.gz XPLKTPXTTSDDNW-HNNXBMFYSA-N 2 1 371.526 0.147 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364229 1170062910 /nfs/dbraw/zinc/06/29/10/1170062910.db2.gz SFDPCSQCWXBZRQ-QCODTGAPSA-N 2 1 363.462 0.190 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccn(C)n1 ZINC001104346484 1170132261 /nfs/dbraw/zinc/13/22/61/1170132261.db2.gz CWIGMYKVJYCGEK-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccn(C)n1 ZINC001104346484 1170132288 /nfs/dbraw/zinc/13/22/88/1170132288.db2.gz CWIGMYKVJYCGEK-YFHUEUNASA-N 2 1 363.506 0.713 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)C1 ZINC001021885299 1170250574 /nfs/dbraw/zinc/25/05/74/1170250574.db2.gz HKSZOEAMZAJGBY-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21)[NH+](C)C ZINC001022019618 1170398284 /nfs/dbraw/zinc/39/82/84/1170398284.db2.gz UPPRJPCXEXADLI-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022038116 1170454437 /nfs/dbraw/zinc/45/44/37/1170454437.db2.gz IIMVEEKLCXBNTD-RYQLBKOJSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3nc(-c4ccncn4)no3)C2)CC[N@H+]1C ZINC001022102891 1170660321 /nfs/dbraw/zinc/66/03/21/1170660321.db2.gz BGTRIDNSJQXCKJ-YIYPIFLZSA-N 2 1 371.445 0.604 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@@H+]1C ZINC001022102891 1170660327 /nfs/dbraw/zinc/66/03/27/1170660327.db2.gz BGTRIDNSJQXCKJ-YIYPIFLZSA-N 2 1 371.445 0.604 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@H+]1C ZINC001022102891 1170660332 /nfs/dbraw/zinc/66/03/32/1170660332.db2.gz BGTRIDNSJQXCKJ-YIYPIFLZSA-N 2 1 371.445 0.604 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691080106 1170739215 /nfs/dbraw/zinc/73/92/15/1170739215.db2.gz TXHKTPMGPIUJBF-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691080106 1170739218 /nfs/dbraw/zinc/73/92/18/1170739218.db2.gz TXHKTPMGPIUJBF-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691080106 1170739221 /nfs/dbraw/zinc/73/92/21/1170739221.db2.gz TXHKTPMGPIUJBF-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691080106 1170739228 /nfs/dbraw/zinc/73/92/28/1170739228.db2.gz TXHKTPMGPIUJBF-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022212359 1170751054 /nfs/dbraw/zinc/75/10/54/1170751054.db2.gz AJCKUYLJUSSUPY-HLLBOEOZSA-N 2 1 359.474 0.506 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022216956 1170765138 /nfs/dbraw/zinc/76/51/38/1170765138.db2.gz DABTVNGKUDNZHG-GVDBMIGSSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001087167213 1170771836 /nfs/dbraw/zinc/77/18/36/1170771836.db2.gz YHXRNYKVWLZUAA-JLSDUUJJSA-N 2 1 360.506 0.874 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691095566 1170801158 /nfs/dbraw/zinc/80/11/58/1170801158.db2.gz CJHCDZHTHMCIBH-APIJFGDWSA-N 2 1 367.494 0.047 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673267 1170804517 /nfs/dbraw/zinc/80/45/17/1170804517.db2.gz JATOWBCBKSYGAE-JZYAIQKZSA-N 2 1 363.462 0.046 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001691142861 1170839924 /nfs/dbraw/zinc/83/99/24/1170839924.db2.gz FRZRDXBERUJCNZ-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC(C)C)C2)CC[NH+]1C ZINC001691142861 1170839926 /nfs/dbraw/zinc/83/99/26/1170839926.db2.gz FRZRDXBERUJCNZ-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1)C(=O)N(C)C ZINC001691235568 1170876049 /nfs/dbraw/zinc/87/60/49/1170876049.db2.gz CTJVMDHJBDSPGQ-HZSPNIEDSA-N 2 1 365.478 0.701 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891805842 1170881489 /nfs/dbraw/zinc/88/14/89/1170881489.db2.gz RRZPVXVWAXQSHU-ROUUACIJSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891805842 1170881490 /nfs/dbraw/zinc/88/14/90/1170881490.db2.gz RRZPVXVWAXQSHU-ROUUACIJSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891805842 1170881491 /nfs/dbraw/zinc/88/14/91/1170881491.db2.gz RRZPVXVWAXQSHU-ROUUACIJSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001691251041 1170888862 /nfs/dbraw/zinc/88/88/62/1170888862.db2.gz JVENTOIYJPXSAG-BHYGNILZSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988754063 1192442364 /nfs/dbraw/zinc/44/23/64/1192442364.db2.gz XPKPFONEGLLSDI-TXCZRRACSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988754063 1192442366 /nfs/dbraw/zinc/44/23/66/1192442366.db2.gz XPKPFONEGLLSDI-TXCZRRACSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000988753173 1192440983 /nfs/dbraw/zinc/44/09/83/1192440983.db2.gz NWAQEJCBJIGUFY-TXCZRRACSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988753173 1192440990 /nfs/dbraw/zinc/44/09/90/1192440990.db2.gz NWAQEJCBJIGUFY-TXCZRRACSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000988753173 1192440995 /nfs/dbraw/zinc/44/09/95/1192440995.db2.gz NWAQEJCBJIGUFY-TXCZRRACSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000988753173 1192440999 /nfs/dbraw/zinc/44/09/99/1192440999.db2.gz NWAQEJCBJIGUFY-TXCZRRACSA-N 2 1 366.506 0.295 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(CC)CC ZINC001691314228 1171074586 /nfs/dbraw/zinc/07/45/86/1171074586.db2.gz KPWDYBGEKVNJHF-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691314123 1171074658 /nfs/dbraw/zinc/07/46/58/1171074658.db2.gz HKZRPKVLJITBHN-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001691358731 1171202806 /nfs/dbraw/zinc/20/28/06/1171202806.db2.gz SBBOLKQZLFZMMV-IPYPFGDCSA-N 2 1 367.494 0.271 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953764 1171217827 /nfs/dbraw/zinc/21/78/27/1171217827.db2.gz AURVWUIRFSTVGG-JJXSEGSLSA-N 2 1 365.478 0.295 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891953763 1171218345 /nfs/dbraw/zinc/21/83/45/1171218345.db2.gz AURVWUIRFSTVGG-FPCVCCKLSA-N 2 1 365.478 0.295 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC001022471972 1171241650 /nfs/dbraw/zinc/24/16/50/1171241650.db2.gz DLVRXFCYYNKNQF-NNPSNHGLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC001022471972 1171241671 /nfs/dbraw/zinc/24/16/71/1171241671.db2.gz DLVRXFCYYNKNQF-NNPSNHGLSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC001022471972 1171241687 /nfs/dbraw/zinc/24/16/87/1171241687.db2.gz DLVRXFCYYNKNQF-NNPSNHGLSA-N 2 1 362.518 0.870 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892051248 1171527591 /nfs/dbraw/zinc/52/75/91/1171527591.db2.gz PWMGJGAJWCEDHV-SFHVURJKSA-N 2 1 364.490 0.731 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892051248 1171527600 /nfs/dbraw/zinc/52/76/00/1171527600.db2.gz PWMGJGAJWCEDHV-SFHVURJKSA-N 2 1 364.490 0.731 20 0 FCADMP O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262048763 1171661947 /nfs/dbraw/zinc/66/19/47/1171661947.db2.gz ZIYXFHULXUIMKZ-CQSZACIVSA-N 2 1 356.426 0.179 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083455406 1192477807 /nfs/dbraw/zinc/47/78/07/1192477807.db2.gz BTDZERKIHQKSJE-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083455406 1192477811 /nfs/dbraw/zinc/47/78/11/1192477811.db2.gz BTDZERKIHQKSJE-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083455406 1192477813 /nfs/dbraw/zinc/47/78/13/1192477813.db2.gz BTDZERKIHQKSJE-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083455406 1192477815 /nfs/dbraw/zinc/47/78/15/1192477815.db2.gz BTDZERKIHQKSJE-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000892262629 1171845227 /nfs/dbraw/zinc/84/52/27/1171845227.db2.gz DPMAXYBYLVBDSK-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892266077 1171869941 /nfs/dbraw/zinc/86/99/41/1171869941.db2.gz ZXHSDAZYVFIZKS-OTWHNJEPSA-N 2 1 357.502 0.948 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892266077 1171869947 /nfs/dbraw/zinc/86/99/47/1171869947.db2.gz ZXHSDAZYVFIZKS-OTWHNJEPSA-N 2 1 357.502 0.948 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@H]21 ZINC000972254636 1171890110 /nfs/dbraw/zinc/89/01/10/1171890110.db2.gz YUEXQISCNUELQT-HUUCEWRRSA-N 2 1 356.430 0.607 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104422416 1171950521 /nfs/dbraw/zinc/95/05/21/1171950521.db2.gz QLLYUYFBBMDSGJ-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001104422181 1171950990 /nfs/dbraw/zinc/95/09/90/1171950990.db2.gz DMIHYIFPTNWAPB-FVQBIDKESA-N 2 1 361.490 0.933 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087226346 1172077819 /nfs/dbraw/zinc/07/78/19/1172077819.db2.gz PLSVSENXTLBENF-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)CC[N@H+]1C ZINC000989061207 1192667238 /nfs/dbraw/zinc/66/72/38/1192667238.db2.gz NHNACGIIOCFDPO-LTIDMASMSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547729 1192784682 /nfs/dbraw/zinc/78/46/82/1192784682.db2.gz FPLLRWIYWNBJJB-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547729 1192784687 /nfs/dbraw/zinc/78/46/87/1192784687.db2.gz FPLLRWIYWNBJJB-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001272197373 1192837376 /nfs/dbraw/zinc/83/73/76/1192837376.db2.gz BIRRLWVLEVDZAO-LJQANCHMSA-N 2 1 361.490 0.848 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001272197373 1192837377 /nfs/dbraw/zinc/83/73/77/1192837377.db2.gz BIRRLWVLEVDZAO-LJQANCHMSA-N 2 1 361.490 0.848 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897632230 1192838128 /nfs/dbraw/zinc/83/81/28/1192838128.db2.gz MKENGGFKYCSVGJ-CVEARBPZSA-N 2 1 361.490 0.965 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000898005933 1192853588 /nfs/dbraw/zinc/85/35/88/1192853588.db2.gz LOZZMIMBQDOLHY-XHSDSOJGSA-N 2 1 371.485 0.860 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000898005883 1192853710 /nfs/dbraw/zinc/85/37/10/1192853710.db2.gz KVDNNSFZTLMYMB-RVKKMQEKSA-N 2 1 371.485 0.718 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573437 1192889085 /nfs/dbraw/zinc/88/90/85/1192889085.db2.gz TYTIHMZVCPQGAA-IKGGRYGDSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573437 1192889087 /nfs/dbraw/zinc/88/90/87/1192889087.db2.gz TYTIHMZVCPQGAA-IKGGRYGDSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573437 1192889088 /nfs/dbraw/zinc/88/90/88/1192889088.db2.gz TYTIHMZVCPQGAA-IKGGRYGDSA-N 2 1 364.534 0.975 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691574104 1192889529 /nfs/dbraw/zinc/88/95/29/1192889529.db2.gz IRVFCLDQBPQDEA-ARFHVFGLSA-N 2 1 354.495 0.108 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691574104 1192889533 /nfs/dbraw/zinc/88/95/33/1192889533.db2.gz IRVFCLDQBPQDEA-ARFHVFGLSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444149 1179746306 /nfs/dbraw/zinc/74/63/06/1179746306.db2.gz DOEIOQVCKRURRR-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444149 1179746321 /nfs/dbraw/zinc/74/63/21/1179746321.db2.gz DOEIOQVCKRURRR-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444149 1179746330 /nfs/dbraw/zinc/74/63/30/1179746330.db2.gz DOEIOQVCKRURRR-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001023444149 1179746343 /nfs/dbraw/zinc/74/63/43/1179746343.db2.gz DOEIOQVCKRURRR-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cnc(CN2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451564 1179758654 /nfs/dbraw/zinc/75/86/54/1179758654.db2.gz QGJGIYYBTJIYBO-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(CN2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451564 1179758672 /nfs/dbraw/zinc/75/86/72/1179758672.db2.gz QGJGIYYBTJIYBO-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001087247821 1180001379 /nfs/dbraw/zinc/00/13/79/1180001379.db2.gz BPSHWGIETSGEFV-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001087247821 1180001386 /nfs/dbraw/zinc/00/13/86/1180001386.db2.gz BPSHWGIETSGEFV-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001023994017 1180730873 /nfs/dbraw/zinc/73/08/73/1180730873.db2.gz WJIACPSUBNAXIG-SOUVJXGZSA-N 2 1 364.494 0.167 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000081396008 1180749252 /nfs/dbraw/zinc/74/92/52/1180749252.db2.gz RTYNVZZAXPLBQC-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000081396008 1180749265 /nfs/dbraw/zinc/74/92/65/1180749265.db2.gz RTYNVZZAXPLBQC-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024039036 1180806559 /nfs/dbraw/zinc/80/65/59/1180806559.db2.gz NAFRJXOQDFHQLR-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024039036 1180806560 /nfs/dbraw/zinc/80/65/60/1180806560.db2.gz NAFRJXOQDFHQLR-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024039368 1180806878 /nfs/dbraw/zinc/80/68/78/1180806878.db2.gz VJDJCAAOUPNJMG-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024039368 1180806881 /nfs/dbraw/zinc/80/68/81/1180806881.db2.gz VJDJCAAOUPNJMG-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001024446990 1181180112 /nfs/dbraw/zinc/18/01/12/1181180112.db2.gz NNMQLUMQNPWINE-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001024446990 1181180118 /nfs/dbraw/zinc/18/01/18/1181180118.db2.gz NNMQLUMQNPWINE-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001024446990 1181180123 /nfs/dbraw/zinc/18/01/23/1181180123.db2.gz NNMQLUMQNPWINE-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP Cc1nccnc1CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506445 1181260453 /nfs/dbraw/zinc/26/04/53/1181260453.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506445 1181260455 /nfs/dbraw/zinc/26/04/55/1181260455.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495539 1181345896 /nfs/dbraw/zinc/34/58/96/1181345896.db2.gz QVZIWPCVKBBMNR-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495540 1181346032 /nfs/dbraw/zinc/34/60/32/1181346032.db2.gz QVZIWPCVKBBMNR-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024649978 1181435809 /nfs/dbraw/zinc/43/58/09/1181435809.db2.gz JJFDYIWHCYDJDO-BRWVUGGUSA-N 2 1 371.441 0.120 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000658856190 1181700875 /nfs/dbraw/zinc/70/08/75/1181700875.db2.gz JXLPVCUQJNJLPU-UHFFFAOYSA-N 2 1 368.522 0.092 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000658856190 1181700882 /nfs/dbraw/zinc/70/08/82/1181700882.db2.gz JXLPVCUQJNJLPU-UHFFFAOYSA-N 2 1 368.522 0.092 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000973312669 1182223221 /nfs/dbraw/zinc/22/32/21/1182223221.db2.gz WSMUYSTWPRUNRA-NNPSNHGLSA-N 2 1 362.518 0.822 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973330062 1182239310 /nfs/dbraw/zinc/23/93/10/1182239310.db2.gz BUDJABWOLIZCTC-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000973330062 1182239312 /nfs/dbraw/zinc/23/93/12/1182239312.db2.gz BUDJABWOLIZCTC-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000973330062 1182239318 /nfs/dbraw/zinc/23/93/18/1182239318.db2.gz BUDJABWOLIZCTC-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000973330062 1182239321 /nfs/dbraw/zinc/23/93/21/1182239321.db2.gz BUDJABWOLIZCTC-WRQOLXDDSA-N 2 1 366.506 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@H+]1C ZINC000973334337 1182244704 /nfs/dbraw/zinc/24/47/04/1182244704.db2.gz CQWJJHFQXZYYQY-ZTTBQOKTSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC[NH+]1C ZINC000973334337 1182244709 /nfs/dbraw/zinc/24/47/09/1182244709.db2.gz CQWJJHFQXZYYQY-ZTTBQOKTSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC[NH+]1C ZINC000973334337 1182244715 /nfs/dbraw/zinc/24/47/15/1182244715.db2.gz CQWJJHFQXZYYQY-ZTTBQOKTSA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001104582379 1182250881 /nfs/dbraw/zinc/25/08/81/1182250881.db2.gz XRNRRGIQHFBWMM-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001104582379 1182250886 /nfs/dbraw/zinc/25/08/86/1182250886.db2.gz XRNRRGIQHFBWMM-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973367019 1182260811 /nfs/dbraw/zinc/26/08/11/1182260811.db2.gz AHXNHNPKGSZNJF-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973367019 1182260818 /nfs/dbraw/zinc/26/08/18/1182260818.db2.gz AHXNHNPKGSZNJF-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973367019 1182260827 /nfs/dbraw/zinc/26/08/27/1182260827.db2.gz AHXNHNPKGSZNJF-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973367019 1182260834 /nfs/dbraw/zinc/26/08/34/1182260834.db2.gz AHXNHNPKGSZNJF-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)Nc1ccon1)C2 ZINC001112009424 1182319922 /nfs/dbraw/zinc/31/99/22/1182319922.db2.gz BWTWFXDTTDTKFR-KSSFIOAISA-N 2 1 363.462 0.924 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104706856 1182386350 /nfs/dbraw/zinc/38/63/50/1182386350.db2.gz UNHGIAATQQXDGE-OWYHZJEWSA-N 2 1 372.513 0.891 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000892754298 1182474150 /nfs/dbraw/zinc/47/41/50/1182474150.db2.gz ABQHITKHIYUIER-IRXDYDNUSA-N 2 1 359.474 0.896 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)C1=O ZINC001083284062 1182516872 /nfs/dbraw/zinc/51/68/72/1182516872.db2.gz MAWCWMZQWOGJQT-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000892920154 1182579860 /nfs/dbraw/zinc/57/98/60/1182579860.db2.gz UBRSXLADIADAAU-IAGOWNOFSA-N 2 1 365.522 0.807 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974220443 1183058875 /nfs/dbraw/zinc/05/88/75/1183058875.db2.gz GUVRTBOOEUTQBB-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974220443 1183058883 /nfs/dbraw/zinc/05/88/83/1183058883.db2.gz GUVRTBOOEUTQBB-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974220443 1183058890 /nfs/dbraw/zinc/05/88/90/1183058890.db2.gz GUVRTBOOEUTQBB-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974220443 1183058898 /nfs/dbraw/zinc/05/88/98/1183058898.db2.gz GUVRTBOOEUTQBB-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974220443 1183058904 /nfs/dbraw/zinc/05/89/04/1183058904.db2.gz GUVRTBOOEUTQBB-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001105007939 1183065462 /nfs/dbraw/zinc/06/54/62/1183065462.db2.gz JGCLZQLTKXMENZ-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001105007939 1183065468 /nfs/dbraw/zinc/06/54/68/1183065468.db2.gz JGCLZQLTKXMENZ-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)C1 ZINC001105042095 1183089603 /nfs/dbraw/zinc/08/96/03/1183089603.db2.gz NIKISMZNVQCJAX-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097776 1183117763 /nfs/dbraw/zinc/11/77/63/1183117763.db2.gz ZLQYRJVKCGOLMN-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105097776 1183117771 /nfs/dbraw/zinc/11/77/71/1183117771.db2.gz ZLQYRJVKCGOLMN-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CC(C)OCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243545 1183151184 /nfs/dbraw/zinc/15/11/84/1183151184.db2.gz CYMTUPNDTUVEPX-RHSMWYFYSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)OCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243545 1183151186 /nfs/dbraw/zinc/15/11/86/1183151186.db2.gz CYMTUPNDTUVEPX-RHSMWYFYSA-N 2 1 364.494 0.516 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000974583595 1183363215 /nfs/dbraw/zinc/36/32/15/1183363215.db2.gz LLUXNCFEZXDNET-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000974583595 1183363224 /nfs/dbraw/zinc/36/32/24/1183363224.db2.gz LLUXNCFEZXDNET-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001026915686 1183490424 /nfs/dbraw/zinc/49/04/24/1183490424.db2.gz UVJFAYQQTOQYGJ-IIDMSEBBSA-N 2 1 361.490 0.487 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001026915686 1183490428 /nfs/dbraw/zinc/49/04/28/1183490428.db2.gz UVJFAYQQTOQYGJ-IIDMSEBBSA-N 2 1 361.490 0.487 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026916199 1183490447 /nfs/dbraw/zinc/49/04/47/1183490447.db2.gz DJGYCVGCRKTSJR-IIAWOOMASA-N 2 1 363.462 0.142 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001026916199 1183490449 /nfs/dbraw/zinc/49/04/49/1183490449.db2.gz DJGYCVGCRKTSJR-IIAWOOMASA-N 2 1 363.462 0.142 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001026916094 1183490452 /nfs/dbraw/zinc/49/04/52/1183490452.db2.gz AIWMQSHLKNGQLB-HZSPNIEDSA-N 2 1 371.432 0.935 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001026916094 1183490454 /nfs/dbraw/zinc/49/04/54/1183490454.db2.gz AIWMQSHLKNGQLB-HZSPNIEDSA-N 2 1 371.432 0.935 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000975718955 1185641324 /nfs/dbraw/zinc/64/13/24/1185641324.db2.gz DLBITSVRYUJTGY-BZSNNMDCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)CC[N@H+]1C ZINC000975720179 1185645562 /nfs/dbraw/zinc/64/55/62/1185645562.db2.gz SVBJFOPPNCXUIK-XDNAFOTISA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975811120 1185805750 /nfs/dbraw/zinc/80/57/50/1185805750.db2.gz MPBOMRQWQPUWSS-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000975811120 1185805751 /nfs/dbraw/zinc/80/57/51/1185805751.db2.gz MPBOMRQWQPUWSS-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000978870408 1186015511 /nfs/dbraw/zinc/01/55/11/1186015511.db2.gz LLFAMXOEPJLKMH-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000978870408 1186015517 /nfs/dbraw/zinc/01/55/17/1186015517.db2.gz LLFAMXOEPJLKMH-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000978870408 1186015522 /nfs/dbraw/zinc/01/55/22/1186015522.db2.gz LLFAMXOEPJLKMH-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978870408 1186015529 /nfs/dbraw/zinc/01/55/29/1186015529.db2.gz LLFAMXOEPJLKMH-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978870408 1186015534 /nfs/dbraw/zinc/01/55/34/1186015534.db2.gz LLFAMXOEPJLKMH-NWHWRWDZSA-N 2 1 366.506 0.057 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000979857512 1186131949 /nfs/dbraw/zinc/13/19/49/1186131949.db2.gz BXDKKTCQOUKUGJ-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000979857512 1186131952 /nfs/dbraw/zinc/13/19/52/1186131952.db2.gz BXDKKTCQOUKUGJ-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000979857512 1186131954 /nfs/dbraw/zinc/13/19/54/1186131954.db2.gz BXDKKTCQOUKUGJ-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000979857512 1186131956 /nfs/dbraw/zinc/13/19/56/1186131956.db2.gz BXDKKTCQOUKUGJ-SMLCLMEVSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@]34CC[NH+](C3)CCC4)C2)CC[N@H+]1C ZINC000979876575 1186134613 /nfs/dbraw/zinc/13/46/13/1186134613.db2.gz WXDIPFYVFWWASL-RXFYRGCNSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC[NH+]1C ZINC000979876575 1186134617 /nfs/dbraw/zinc/13/46/17/1186134617.db2.gz WXDIPFYVFWWASL-RXFYRGCNSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC[NH+]1C ZINC000979876575 1186134620 /nfs/dbraw/zinc/13/46/20/1186134620.db2.gz WXDIPFYVFWWASL-RXFYRGCNSA-N 2 1 362.518 0.824 20 0 FCADMP Cc1noc(CCC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027965456 1186240858 /nfs/dbraw/zinc/24/08/58/1186240858.db2.gz CMFTVWITYQLUMP-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027965456 1186240863 /nfs/dbraw/zinc/24/08/63/1186240863.db2.gz CMFTVWITYQLUMP-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965456 1186240866 /nfs/dbraw/zinc/24/08/66/1186240866.db2.gz CMFTVWITYQLUMP-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965456 1186240871 /nfs/dbraw/zinc/24/08/71/1186240871.db2.gz CMFTVWITYQLUMP-FVQBIDKESA-N 2 1 365.478 0.610 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCc4ncnn43)CC2)O1 ZINC000981439312 1186419454 /nfs/dbraw/zinc/41/94/54/1186419454.db2.gz AFYQIBYSKDJICU-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCc4ncnn43)CC2)O1 ZINC000981439312 1186419458 /nfs/dbraw/zinc/41/94/58/1186419458.db2.gz AFYQIBYSKDJICU-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCc4ncnn43)CC2)O1 ZINC000981439312 1186419460 /nfs/dbraw/zinc/41/94/60/1186419460.db2.gz AFYQIBYSKDJICU-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCc4ncnn43)CC2)O1 ZINC000981439312 1186419463 /nfs/dbraw/zinc/41/94/63/1186419463.db2.gz AFYQIBYSKDJICU-OWCLPIDISA-N 2 1 362.478 0.019 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(Cc2cnnn2C)C3)CC[N@H+]1C ZINC000981778363 1186519091 /nfs/dbraw/zinc/51/90/91/1186519091.db2.gz IYULQXQNJJQNRU-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cnnn2C)C3)CC[N@@H+]1C ZINC000981778363 1186519096 /nfs/dbraw/zinc/51/90/96/1186519096.db2.gz IYULQXQNJJQNRU-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cnnn2C)C3)CC[N@H+]1C ZINC000981778363 1186519099 /nfs/dbraw/zinc/51/90/99/1186519099.db2.gz IYULQXQNJJQNRU-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2cnnn2C)C3)CC[NH+]1C ZINC000981778363 1186519104 /nfs/dbraw/zinc/51/91/04/1186519104.db2.gz IYULQXQNJJQNRU-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2cnnn2C)C3)CC[NH+]1C ZINC000981778363 1186519105 /nfs/dbraw/zinc/51/91/05/1186519105.db2.gz IYULQXQNJJQNRU-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151610 1186569328 /nfs/dbraw/zinc/56/93/28/1186569328.db2.gz FXNCFKQIEPLNST-KURKYZTESA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151610 1186569340 /nfs/dbraw/zinc/56/93/40/1186569340.db2.gz FXNCFKQIEPLNST-KURKYZTESA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151610 1186569346 /nfs/dbraw/zinc/56/93/46/1186569346.db2.gz FXNCFKQIEPLNST-KURKYZTESA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151610 1186569349 /nfs/dbraw/zinc/56/93/49/1186569349.db2.gz FXNCFKQIEPLNST-KURKYZTESA-N 2 1 358.486 0.658 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)N4CCC4)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283491 1186698132 /nfs/dbraw/zinc/69/81/32/1186698132.db2.gz UKOBZXZETYYAOV-SMOSDQRPSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(=O)N4CCC4)C[C@]3(C)C2)CC[NH+]1C ZINC000982283491 1186698134 /nfs/dbraw/zinc/69/81/34/1186698134.db2.gz UKOBZXZETYYAOV-SMOSDQRPSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)N4CCC4)C[C@]3(C)C2)CC[NH+]1C ZINC000982283491 1186698138 /nfs/dbraw/zinc/69/81/38/1186698138.db2.gz UKOBZXZETYYAOV-SMOSDQRPSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC001268309389 1186704136 /nfs/dbraw/zinc/70/41/36/1186704136.db2.gz WVQQZKPLSBWWEY-AYOQOUSVSA-N 2 1 371.485 0.779 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001211720781 1187465928 /nfs/dbraw/zinc/46/59/28/1187465928.db2.gz OYJAIDUGWOVVNO-NZSAHSFTSA-N 2 1 370.497 0.801 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001211729466 1187511748 /nfs/dbraw/zinc/51/17/48/1187511748.db2.gz AGUJIADYQQOSIF-DLBZAZTESA-N 2 1 371.489 0.635 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001211729466 1187511751 /nfs/dbraw/zinc/51/17/51/1187511751.db2.gz AGUJIADYQQOSIF-DLBZAZTESA-N 2 1 371.489 0.635 20 0 FCADMP C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001481998616 1187567849 /nfs/dbraw/zinc/56/78/49/1187567849.db2.gz CSZGAMNETVTMIR-UMVBOHGHSA-N 2 1 367.494 0.128 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028553208 1187604577 /nfs/dbraw/zinc/60/45/77/1187604577.db2.gz FLZBZODEXNPRKM-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028553208 1187604578 /nfs/dbraw/zinc/60/45/78/1187604578.db2.gz FLZBZODEXNPRKM-OWCLPIDISA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1noc2c1COCC2 ZINC001482101843 1187616972 /nfs/dbraw/zinc/61/69/72/1187616972.db2.gz HJVRAARNGVZLIM-MGPQQGTHSA-N 2 1 350.463 0.929 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629106 1187757234 /nfs/dbraw/zinc/75/72/34/1187757234.db2.gz GQTWGMUWWNNBIT-FGTMMUONSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629106 1187757237 /nfs/dbraw/zinc/75/72/37/1187757237.db2.gz GQTWGMUWWNNBIT-FGTMMUONSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629106 1187757240 /nfs/dbraw/zinc/75/72/40/1187757240.db2.gz GQTWGMUWWNNBIT-FGTMMUONSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629106 1187757241 /nfs/dbraw/zinc/75/72/41/1187757241.db2.gz GQTWGMUWWNNBIT-FGTMMUONSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CN(C)C(N)=[NH2+])C3)n(C)n1 ZINC001269992705 1187962202 /nfs/dbraw/zinc/96/22/02/1187962202.db2.gz VNTVVQUFKHQEOE-GOSISDBHSA-N 2 1 361.494 0.368 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4c[nH+]cn43)C2)C1=O ZINC001270287170 1188081337 /nfs/dbraw/zinc/08/13/37/1188081337.db2.gz VYRASZLJKGMRAX-QFBILLFUSA-N 2 1 359.474 0.773 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469622 1188212173 /nfs/dbraw/zinc/21/21/73/1188212173.db2.gz NKIIFECLXXHARI-USXIJHARSA-N 2 1 362.449 0.537 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033759 1188213127 /nfs/dbraw/zinc/21/31/27/1188213127.db2.gz HLACFYDTXWFAIX-MJGOQNOKSA-N 2 1 372.513 0.876 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000983709411 1188278602 /nfs/dbraw/zinc/27/86/02/1188278602.db2.gz VJKQHFVAYGHTQZ-KLHDSHLOSA-N 2 1 363.510 0.798 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000550412998 1188366284 /nfs/dbraw/zinc/36/62/84/1188366284.db2.gz PVUZWYLHTFTOSL-GOSISDBHSA-N 2 1 360.502 0.828 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075799027 1188423047 /nfs/dbraw/zinc/42/30/47/1188423047.db2.gz YVOORBUHCARYIK-RYQLBKOJSA-N 2 1 371.485 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001075799027 1188423053 /nfs/dbraw/zinc/42/30/53/1188423053.db2.gz YVOORBUHCARYIK-RYQLBKOJSA-N 2 1 371.485 0.860 20 0 FCADMP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001075798870 1188423335 /nfs/dbraw/zinc/42/33/35/1188423335.db2.gz REZCJNJCUONFNS-CGTJXYLNSA-N 2 1 360.502 0.482 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001075798870 1188423339 /nfs/dbraw/zinc/42/33/39/1188423339.db2.gz REZCJNJCUONFNS-CGTJXYLNSA-N 2 1 360.502 0.482 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984016213 1189374083 /nfs/dbraw/zinc/37/40/83/1189374083.db2.gz SQBDFZUDUHKGPG-KLHDSHLOSA-N 2 1 364.494 0.392 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984016213 1189374090 /nfs/dbraw/zinc/37/40/90/1189374090.db2.gz SQBDFZUDUHKGPG-KLHDSHLOSA-N 2 1 364.494 0.392 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087578293 1189619791 /nfs/dbraw/zinc/61/97/91/1189619791.db2.gz MIYFAHRYKCRRNK-LVQVYYBASA-N 2 1 364.490 0.445 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCN1CCCC1=O ZINC001087622372 1189672624 /nfs/dbraw/zinc/67/26/24/1189672624.db2.gz IIAAUVGWKFAZDA-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCN1CCCC1=O ZINC001087622372 1189672633 /nfs/dbraw/zinc/67/26/33/1189672633.db2.gz IIAAUVGWKFAZDA-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1CCCC1=O ZINC001087622372 1189672643 /nfs/dbraw/zinc/67/26/43/1189672643.db2.gz IIAAUVGWKFAZDA-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1CCCC1=O ZINC001087622372 1189672646 /nfs/dbraw/zinc/67/26/46/1189672646.db2.gz IIAAUVGWKFAZDA-YYIAUSFCSA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087830020 1189842750 /nfs/dbraw/zinc/84/27/50/1189842750.db2.gz ILLNKYYVGUORIM-IXDOHACOSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087830020 1189842752 /nfs/dbraw/zinc/84/27/52/1189842752.db2.gz ILLNKYYVGUORIM-IXDOHACOSA-N 2 1 360.462 0.418 20 0 FCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920694 1189906788 /nfs/dbraw/zinc/90/67/88/1189906788.db2.gz XUDAJOGNBPUPIV-RYRKJORJSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920694 1189906796 /nfs/dbraw/zinc/90/67/96/1189906796.db2.gz XUDAJOGNBPUPIV-RYRKJORJSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920694 1189906806 /nfs/dbraw/zinc/90/68/06/1189906806.db2.gz XUDAJOGNBPUPIV-RYRKJORJSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920694 1189906816 /nfs/dbraw/zinc/90/68/16/1189906816.db2.gz XUDAJOGNBPUPIV-RYRKJORJSA-N 2 1 361.490 0.074 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CCc1nccn1C ZINC000984697433 1190074542 /nfs/dbraw/zinc/07/45/42/1190074542.db2.gz URHOIJIEFRNNKX-XHSDSOJGSA-N 2 1 361.490 0.943 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1C(=O)CCc1nccn1C ZINC000984697433 1190074546 /nfs/dbraw/zinc/07/45/46/1190074546.db2.gz URHOIJIEFRNNKX-XHSDSOJGSA-N 2 1 361.490 0.943 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999631 1190170485 /nfs/dbraw/zinc/17/04/85/1190170485.db2.gz VJWBKJPGTZGBBG-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999631 1190170488 /nfs/dbraw/zinc/17/04/88/1190170488.db2.gz VJWBKJPGTZGBBG-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087999631 1190170490 /nfs/dbraw/zinc/17/04/90/1190170490.db2.gz VJWBKJPGTZGBBG-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC000984839952 1190181203 /nfs/dbraw/zinc/18/12/03/1190181203.db2.gz ZDYXLHFXUSKNCE-RXABAKJHSA-N 2 1 370.497 0.705 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@H]3CCn4cncc4C3)C[C@@H]2C1)N1CCC1 ZINC001088017405 1190226587 /nfs/dbraw/zinc/22/65/87/1190226587.db2.gz ZNBYXWRXXSOAJZ-BBWFWOEESA-N 2 1 371.485 0.458 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cncn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018624 1190231025 /nfs/dbraw/zinc/23/10/25/1190231025.db2.gz FGBFABWETZHMGH-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cncn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018624 1190231028 /nfs/dbraw/zinc/23/10/28/1190231028.db2.gz FGBFABWETZHMGH-ZACQAIPSSA-N 2 1 371.485 0.458 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088023324 1190246678 /nfs/dbraw/zinc/24/66/78/1190246678.db2.gz YMFADCNNJOJOMB-SQNIBIBYSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088023324 1190246680 /nfs/dbraw/zinc/24/66/80/1190246680.db2.gz YMFADCNNJOJOMB-SQNIBIBYSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088063876 1190340157 /nfs/dbraw/zinc/34/01/57/1190340157.db2.gz ATEYQFBDJBNJFB-CVEARBPZSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095548 1190563629 /nfs/dbraw/zinc/56/36/29/1190563629.db2.gz UKWFRYWYNSDQGD-ZIFCJYIRSA-N 2 1 364.534 0.975 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106654 1190593056 /nfs/dbraw/zinc/59/30/56/1190593056.db2.gz KZKYUQIPKAUPIM-ZRGWGRIASA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106654 1190593065 /nfs/dbraw/zinc/59/30/65/1190593065.db2.gz KZKYUQIPKAUPIM-ZRGWGRIASA-N 2 1 368.497 0.725 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106654 1190593069 /nfs/dbraw/zinc/59/30/69/1190593069.db2.gz KZKYUQIPKAUPIM-ZRGWGRIASA-N 2 1 368.497 0.725 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107483 1190596351 /nfs/dbraw/zinc/59/63/51/1190596351.db2.gz ZVMYSBRZALYRPG-BBWFWOEESA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107483 1190596357 /nfs/dbraw/zinc/59/63/57/1190596357.db2.gz ZVMYSBRZALYRPG-BBWFWOEESA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107483 1190596361 /nfs/dbraw/zinc/59/63/61/1190596361.db2.gz ZVMYSBRZALYRPG-BBWFWOEESA-N 2 1 364.534 0.975 20 0 FCADMP CO[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088135992 1190642164 /nfs/dbraw/zinc/64/21/64/1190642164.db2.gz PIZNIPASLKVGEI-NUJGCVRESA-N 2 1 363.506 0.874 20 0 FCADMP Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140222 1190658434 /nfs/dbraw/zinc/65/84/34/1190658434.db2.gz ADRKTHMJFVEWJB-SJORKVTESA-N 2 1 361.490 0.423 20 0 FCADMP Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140222 1190658437 /nfs/dbraw/zinc/65/84/37/1190658437.db2.gz ADRKTHMJFVEWJB-SJORKVTESA-N 2 1 361.490 0.423 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000985164053 1190661658 /nfs/dbraw/zinc/66/16/58/1190661658.db2.gz JVFCOMYSIUKWLX-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854954 1190731592 /nfs/dbraw/zinc/73/15/92/1190731592.db2.gz XQGYIEOBPSXJTI-HSFUPAIVSA-N 2 1 364.534 0.878 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854954 1190731594 /nfs/dbraw/zinc/73/15/94/1190731594.db2.gz XQGYIEOBPSXJTI-HSFUPAIVSA-N 2 1 364.534 0.878 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001271854954 1190731598 /nfs/dbraw/zinc/73/15/98/1190731598.db2.gz XQGYIEOBPSXJTI-HSFUPAIVSA-N 2 1 364.534 0.878 20 0 FCADMP C[NH+]1CCC([NH+]2CCC3(C[C@@H]3C(=O)NCCN3CCOCC3)CC2)CC1 ZINC001276755884 1224107496 /nfs/dbraw/zinc/10/74/96/1224107496.db2.gz BHEKLJFEADTRDL-GOSISDBHSA-N 2 1 364.534 0.631 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1)[NH+](C)C ZINC000986135253 1190906061 /nfs/dbraw/zinc/90/60/61/1190906061.db2.gz DYFQBYGLMFFGET-IKGGRYGDSA-N 2 1 361.490 0.839 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC000986366328 1190970570 /nfs/dbraw/zinc/97/05/70/1190970570.db2.gz GZSLBXDUIWCCAL-HLLBOEOZSA-N 2 1 359.474 0.743 20 0 FCADMP CN1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC000986366328 1190970574 /nfs/dbraw/zinc/97/05/74/1190970574.db2.gz GZSLBXDUIWCCAL-HLLBOEOZSA-N 2 1 359.474 0.743 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986404386 1190975201 /nfs/dbraw/zinc/97/52/01/1190975201.db2.gz ZXNPPBDUVFLPFH-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1)[NH+](C)C ZINC000986426105 1190987589 /nfs/dbraw/zinc/98/75/89/1190987589.db2.gz WXDVIBZEDBURFW-IKGGRYGDSA-N 2 1 361.490 0.839 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986578323 1191045588 /nfs/dbraw/zinc/04/55/88/1191045588.db2.gz YMLJVPOULXELSH-LTIDMASMSA-N 2 1 373.501 0.989 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000988149432 1191153785 /nfs/dbraw/zinc/15/37/85/1191153785.db2.gz XCRSVPFQBGRLNG-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059858795 1191156457 /nfs/dbraw/zinc/15/64/57/1191156457.db2.gz ZKTLKDOEVSMVHM-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001059858795 1191156460 /nfs/dbraw/zinc/15/64/60/1191156460.db2.gz ZKTLKDOEVSMVHM-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059858795 1191156463 /nfs/dbraw/zinc/15/64/63/1191156463.db2.gz ZKTLKDOEVSMVHM-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059858795 1191156467 /nfs/dbraw/zinc/15/64/67/1191156467.db2.gz ZKTLKDOEVSMVHM-BRWVUGGUSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001691588966 1193755895 /nfs/dbraw/zinc/75/58/95/1193755895.db2.gz FDEREDGWNDFKGV-LXTVHRRPSA-N 2 1 363.462 0.828 20 0 FCADMP CC(C)Nc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000550744143 1193758534 /nfs/dbraw/zinc/75/85/34/1193758534.db2.gz RQQXYRYDMFDHQB-INIZCTEOSA-N 2 1 371.489 0.048 20 0 FCADMP CC(C)Nc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000550744143 1193758537 /nfs/dbraw/zinc/75/85/37/1193758537.db2.gz RQQXYRYDMFDHQB-INIZCTEOSA-N 2 1 371.489 0.048 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000989997647 1193776386 /nfs/dbraw/zinc/77/63/86/1193776386.db2.gz QJPZXOHEHJVTRW-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000989997647 1193776387 /nfs/dbraw/zinc/77/63/87/1193776387.db2.gz QJPZXOHEHJVTRW-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000990004883 1193780291 /nfs/dbraw/zinc/78/02/91/1193780291.db2.gz JWTZSZKALOSORO-CVEARBPZSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000551017892 1193827510 /nfs/dbraw/zinc/82/75/10/1193827510.db2.gz JFNXAENHJZSDLE-QGZVFWFLSA-N 2 1 361.490 0.888 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655367 1193859869 /nfs/dbraw/zinc/85/98/69/1193859869.db2.gz HUNCOJLYUYGYOD-ZTRFORPCSA-N 2 1 369.550 0.923 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551485626 1193860576 /nfs/dbraw/zinc/86/05/76/1193860576.db2.gz XOWJHISHWSLXSK-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551485626 1193860579 /nfs/dbraw/zinc/86/05/79/1193860579.db2.gz XOWJHISHWSLXSK-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnon1)C2 ZINC001105660301 1193863046 /nfs/dbraw/zinc/86/30/46/1193863046.db2.gz STXZPKKSPUUXQN-AHCXZYCDSA-N 2 1 365.478 0.487 20 0 FCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000551844467 1193873504 /nfs/dbraw/zinc/87/35/04/1193873504.db2.gz VCLUARJYEFJUEL-SFHVURJKSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]([NH3+])Cc3cccc(O)c3)ncn2)CC1 ZINC001218573429 1224175139 /nfs/dbraw/zinc/17/51/39/1224175139.db2.gz XJNLGTZMTMNGFL-OAHLLOKOSA-N 2 1 356.430 0.443 20 0 FCADMP Cc1nn(C(C)C)cc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473291 1193902510 /nfs/dbraw/zinc/90/25/10/1193902510.db2.gz SXWVLJWVCFZOSM-DDBAPUKQSA-N 2 1 363.506 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083473156 1193903102 /nfs/dbraw/zinc/90/31/02/1193903102.db2.gz LIVNQKNOTUCXMB-DZUCGIPZSA-N 2 1 363.506 0.640 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083475181 1193908596 /nfs/dbraw/zinc/90/85/96/1193908596.db2.gz XASFITHOVQXCNC-MLHJIOFPSA-N 2 1 363.506 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)cc3C)C[C@@H]2O)CC[N@H+]1C ZINC001083475181 1193908601 /nfs/dbraw/zinc/90/86/01/1193908601.db2.gz XASFITHOVQXCNC-MLHJIOFPSA-N 2 1 363.506 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]2O)CC[NH+]1C ZINC001083475181 1193908608 /nfs/dbraw/zinc/90/86/08/1193908608.db2.gz XASFITHOVQXCNC-MLHJIOFPSA-N 2 1 363.506 0.392 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]2O)CC[NH+]1C ZINC001083475181 1193908613 /nfs/dbraw/zinc/90/86/13/1193908613.db2.gz XASFITHOVQXCNC-MLHJIOFPSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)c1 ZINC000552278865 1193919285 /nfs/dbraw/zinc/91/92/85/1193919285.db2.gz KSINNEPKVHFAGJ-UHFFFAOYSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000552538511 1193938449 /nfs/dbraw/zinc/93/84/49/1193938449.db2.gz DAKZMEIRGMAMGK-JKSUJKDBSA-N 2 1 368.522 0.260 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075994903 1193951388 /nfs/dbraw/zinc/95/13/88/1193951388.db2.gz ONXGDTQEWPHLEQ-DOTOQJQBSA-N 2 1 351.414 0.772 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]21 ZINC001218601195 1224180071 /nfs/dbraw/zinc/18/00/71/1224180071.db2.gz ZDYKUKZLDRSKOO-RCCFBDPRSA-N 2 1 365.449 0.722 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]21 ZINC001218601195 1224180074 /nfs/dbraw/zinc/18/00/74/1224180074.db2.gz ZDYKUKZLDRSKOO-RCCFBDPRSA-N 2 1 365.449 0.722 20 0 FCADMP COc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000553152682 1193975567 /nfs/dbraw/zinc/97/55/67/1193975567.db2.gz CWYBTORSCPVJJA-GASCZTMLSA-N 2 1 363.510 0.231 20 0 FCADMP COc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000553152682 1193975570 /nfs/dbraw/zinc/97/55/70/1193975570.db2.gz CWYBTORSCPVJJA-GASCZTMLSA-N 2 1 363.510 0.231 20 0 FCADMP COc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000553152682 1193975574 /nfs/dbraw/zinc/97/55/74/1193975574.db2.gz CWYBTORSCPVJJA-GASCZTMLSA-N 2 1 363.510 0.231 20 0 FCADMP COc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000553152684 1193975947 /nfs/dbraw/zinc/97/59/47/1193975947.db2.gz CWYBTORSCPVJJA-HUUCEWRRSA-N 2 1 363.510 0.231 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000553686950 1194015359 /nfs/dbraw/zinc/01/53/59/1194015359.db2.gz MYEZYKGZIZWBQB-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000553686950 1194015363 /nfs/dbraw/zinc/01/53/63/1194015363.db2.gz MYEZYKGZIZWBQB-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000553686950 1194015368 /nfs/dbraw/zinc/01/53/68/1194015368.db2.gz MYEZYKGZIZWBQB-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000553686950 1194015372 /nfs/dbraw/zinc/01/53/72/1194015372.db2.gz MYEZYKGZIZWBQB-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188590 1194085038 /nfs/dbraw/zinc/08/50/38/1194085038.db2.gz ITHGTTBANBYRAT-FXAWDEMLSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191500 1194086152 /nfs/dbraw/zinc/08/61/52/1194086152.db2.gz YUJTXLMZEPNEAC-OXJNMPFZSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814772 1194092322 /nfs/dbraw/zinc/09/23/22/1194092322.db2.gz IYCYRJSIMPMRAW-PVAVHDDUSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814772 1194092327 /nfs/dbraw/zinc/09/23/27/1194092327.db2.gz IYCYRJSIMPMRAW-PVAVHDDUSA-N 2 1 366.506 0.295 20 0 FCADMP CN1CCC[C@H]1c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC000899159053 1194116200 /nfs/dbraw/zinc/11/62/00/1194116200.db2.gz UMZYRAZBFPLIQP-RKVPGOIHSA-N 2 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC000899159053 1194116204 /nfs/dbraw/zinc/11/62/04/1194116204.db2.gz UMZYRAZBFPLIQP-RKVPGOIHSA-N 3 1 362.522 0.988 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C[NH+](C)C ZINC000899159053 1194116205 /nfs/dbraw/zinc/11/62/05/1194116205.db2.gz UMZYRAZBFPLIQP-RKVPGOIHSA-N 3 1 362.522 0.988 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524226 1194156336 /nfs/dbraw/zinc/15/63/36/1194156336.db2.gz MTEUIQPJYSEAFY-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524855 1194156432 /nfs/dbraw/zinc/15/64/32/1194156432.db2.gz NHOLQPAVKPQESO-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524855 1194156436 /nfs/dbraw/zinc/15/64/36/1194156436.db2.gz NHOLQPAVKPQESO-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524855 1194156443 /nfs/dbraw/zinc/15/64/43/1194156443.db2.gz NHOLQPAVKPQESO-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524855 1194156449 /nfs/dbraw/zinc/15/64/49/1194156449.db2.gz NHOLQPAVKPQESO-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046870 1194272889 /nfs/dbraw/zinc/27/28/89/1194272889.db2.gz QCUDLEXZCXWWSC-JKIFEVAISA-N 2 1 355.442 0.957 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046870 1194272896 /nfs/dbraw/zinc/27/28/96/1194272896.db2.gz QCUDLEXZCXWWSC-JKIFEVAISA-N 2 1 355.442 0.957 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046869 1194272961 /nfs/dbraw/zinc/27/29/61/1194272961.db2.gz QCUDLEXZCXWWSC-GRDNDAEWSA-N 2 1 355.442 0.957 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046869 1194272968 /nfs/dbraw/zinc/27/29/68/1194272968.db2.gz QCUDLEXZCXWWSC-GRDNDAEWSA-N 2 1 355.442 0.957 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001076085962 1194299156 /nfs/dbraw/zinc/29/91/56/1194299156.db2.gz JYVJQQYVRQPVSC-KVSKMBFKSA-N 2 1 360.502 0.672 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001076085962 1194299162 /nfs/dbraw/zinc/29/91/62/1194299162.db2.gz JYVJQQYVRQPVSC-KVSKMBFKSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246747 1194366409 /nfs/dbraw/zinc/36/64/09/1194366409.db2.gz IFRGHUSAZPJJHB-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246747 1194366412 /nfs/dbraw/zinc/36/64/12/1194366412.db2.gz IFRGHUSAZPJJHB-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246747 1194366418 /nfs/dbraw/zinc/36/64/18/1194366418.db2.gz IFRGHUSAZPJJHB-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246747 1194366423 /nfs/dbraw/zinc/36/64/23/1194366423.db2.gz IFRGHUSAZPJJHB-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076324045 1194396885 /nfs/dbraw/zinc/39/68/85/1194396885.db2.gz LBDPMTLXZGOVQM-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407655 1194453319 /nfs/dbraw/zinc/45/33/19/1194453319.db2.gz PCCLHTLEHAYDCN-YQQAZPJKSA-N 2 1 366.506 0.107 20 0 FCADMP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCN(C(=O)[C@H]5CC[NH+](C)C5)[C@@H]4C3)ccc21 ZINC001076569455 1194575874 /nfs/dbraw/zinc/57/58/74/1194575874.db2.gz XSSNUQOEWMFNLV-TXPKVOOTSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCN(C(=O)[C@H]5CC[N@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569455 1194575880 /nfs/dbraw/zinc/57/58/80/1194575880.db2.gz XSSNUQOEWMFNLV-TXPKVOOTSA-N 2 1 368.485 0.953 20 0 FCADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCN(C(=O)[C@H]5CC[N@@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569455 1194575884 /nfs/dbraw/zinc/57/58/84/1194575884.db2.gz XSSNUQOEWMFNLV-TXPKVOOTSA-N 2 1 368.485 0.953 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076605806 1194594001 /nfs/dbraw/zinc/59/40/01/1194594001.db2.gz ULIGJMAFMIQZEP-ARFHVFGLSA-N 2 1 362.474 0.200 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001076987076 1195116696 /nfs/dbraw/zinc/11/66/96/1195116696.db2.gz BKIOKXVZSVAUMA-KZNAEPCWSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001076987076 1195116713 /nfs/dbraw/zinc/11/67/13/1195116713.db2.gz BKIOKXVZSVAUMA-KZNAEPCWSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076987076 1195116718 /nfs/dbraw/zinc/11/67/18/1195116718.db2.gz BKIOKXVZSVAUMA-KZNAEPCWSA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)n1 ZINC001076987076 1195116723 /nfs/dbraw/zinc/11/67/23/1195116723.db2.gz BKIOKXVZSVAUMA-KZNAEPCWSA-N 2 1 363.506 0.534 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2O)n1 ZINC001077014337 1195148103 /nfs/dbraw/zinc/14/81/03/1195148103.db2.gz QOKWYLFZSOMCID-QZTJIDSGSA-N 2 1 361.490 0.720 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014166 1195148610 /nfs/dbraw/zinc/14/86/10/1195148610.db2.gz GRWPOYNTESEWPI-ATZDWAIDSA-N 2 1 371.485 0.981 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092346 1195209680 /nfs/dbraw/zinc/20/96/80/1195209680.db2.gz PXLZCTLUNICSOY-OWCLPIDISA-N 2 1 365.478 0.346 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092346 1195209691 /nfs/dbraw/zinc/20/96/91/1195209691.db2.gz PXLZCTLUNICSOY-OWCLPIDISA-N 2 1 365.478 0.346 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092346 1195209697 /nfs/dbraw/zinc/20/96/97/1195209697.db2.gz PXLZCTLUNICSOY-OWCLPIDISA-N 2 1 365.478 0.346 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001077092346 1195209701 /nfs/dbraw/zinc/20/97/01/1195209701.db2.gz PXLZCTLUNICSOY-OWCLPIDISA-N 2 1 365.478 0.346 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127668 1195241115 /nfs/dbraw/zinc/24/11/15/1195241115.db2.gz DUKOTVTWUUCHKB-KZNAEPCWSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127668 1195241117 /nfs/dbraw/zinc/24/11/17/1195241117.db2.gz DUKOTVTWUUCHKB-KZNAEPCWSA-N 2 1 363.506 0.102 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001077127668 1195241121 /nfs/dbraw/zinc/24/11/21/1195241121.db2.gz DUKOTVTWUUCHKB-KZNAEPCWSA-N 2 1 363.506 0.102 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127797 1195242066 /nfs/dbraw/zinc/24/20/66/1195242066.db2.gz IZGOCWODENRUPK-CGTJXYLNSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127797 1195242069 /nfs/dbraw/zinc/24/20/69/1195242069.db2.gz IZGOCWODENRUPK-CGTJXYLNSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127797 1195242076 /nfs/dbraw/zinc/24/20/76/1195242076.db2.gz IZGOCWODENRUPK-CGTJXYLNSA-N 2 1 363.506 0.368 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127797 1195242078 /nfs/dbraw/zinc/24/20/78/1195242078.db2.gz IZGOCWODENRUPK-CGTJXYLNSA-N 2 1 363.506 0.368 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001077147671 1195269299 /nfs/dbraw/zinc/26/92/99/1195269299.db2.gz AXONLVSCGISYIL-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001077147671 1195269305 /nfs/dbraw/zinc/26/93/05/1195269305.db2.gz AXONLVSCGISYIL-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001077147671 1195269314 /nfs/dbraw/zinc/26/93/14/1195269314.db2.gz AXONLVSCGISYIL-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001077147671 1195269324 /nfs/dbraw/zinc/26/93/24/1195269324.db2.gz AXONLVSCGISYIL-ZOFXXKQRSA-N 2 1 368.522 0.447 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001077300021 1195399647 /nfs/dbraw/zinc/39/96/47/1195399647.db2.gz UAZNUORBLHVSAY-IAGOWNOFSA-N 2 1 361.490 0.290 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001077300021 1195399651 /nfs/dbraw/zinc/39/96/51/1195399651.db2.gz UAZNUORBLHVSAY-IAGOWNOFSA-N 2 1 361.490 0.290 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395951 1195492715 /nfs/dbraw/zinc/49/27/15/1195492715.db2.gz GRCTYIMTFDHGLV-IAGOWNOFSA-N 2 1 354.414 0.085 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395951 1195492721 /nfs/dbraw/zinc/49/27/21/1195492721.db2.gz GRCTYIMTFDHGLV-IAGOWNOFSA-N 2 1 354.414 0.085 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396207 1195495330 /nfs/dbraw/zinc/49/53/30/1195495330.db2.gz UANOCCZDCBJDJU-QZTJIDSGSA-N 2 1 358.442 0.926 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]cnc3C)[C@H]2C1)C1CC1 ZINC001219010221 1224288519 /nfs/dbraw/zinc/28/85/19/1224288519.db2.gz GYNBGVCTVMOUJY-OKZBNKHCSA-N 2 1 362.474 0.987 20 0 FCADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905368588 1195583963 /nfs/dbraw/zinc/58/39/63/1195583963.db2.gz UCBILWBGEQIYNO-XUVXKRRUSA-N 2 1 364.486 0.635 20 0 FCADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905363211 1195584056 /nfs/dbraw/zinc/58/40/56/1195584056.db2.gz XFIAGBCXGMOSRF-ZGXWSNOMSA-N 2 1 364.486 0.361 20 0 FCADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905363211 1195584061 /nfs/dbraw/zinc/58/40/61/1195584061.db2.gz XFIAGBCXGMOSRF-ZGXWSNOMSA-N 2 1 364.486 0.361 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000906090722 1195613302 /nfs/dbraw/zinc/61/33/02/1195613302.db2.gz RYXSAZGJBOXPDT-UHFFFAOYSA-N 2 1 361.490 0.410 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC000906477960 1195633616 /nfs/dbraw/zinc/63/36/16/1195633616.db2.gz GAOCCYIZNPPOBX-HDICACEKSA-N 2 1 365.566 0.497 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906477960 1195633618 /nfs/dbraw/zinc/63/36/18/1195633618.db2.gz GAOCCYIZNPPOBX-HDICACEKSA-N 2 1 365.566 0.497 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906477960 1195633624 /nfs/dbraw/zinc/63/36/24/1195633624.db2.gz GAOCCYIZNPPOBX-HDICACEKSA-N 2 1 365.566 0.497 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906477962 1195634286 /nfs/dbraw/zinc/63/42/86/1195634286.db2.gz GAOCCYIZNPPOBX-ROUUACIJSA-N 2 1 365.566 0.497 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)C1 ZINC000906652608 1195642295 /nfs/dbraw/zinc/64/22/95/1195642295.db2.gz NYFDVAGTAYPKRX-MRXNPFEDSA-N 2 1 359.474 0.322 20 0 FCADMP COc1cc(OC)nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000906656453 1195642336 /nfs/dbraw/zinc/64/23/36/1195642336.db2.gz SAHDBUCMOPIGFK-CQSZACIVSA-N 2 1 363.462 0.734 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906666469 1195643609 /nfs/dbraw/zinc/64/36/09/1195643609.db2.gz QITYLFNVOCZPRK-AWEZNQCLSA-N 2 1 360.458 0.796 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601603 1195651057 /nfs/dbraw/zinc/65/10/57/1195651057.db2.gz DDJVTXAMKMCARW-KURKYZTESA-N 2 1 365.518 0.717 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601604 1195652163 /nfs/dbraw/zinc/65/21/63/1195652163.db2.gz DDJVTXAMKMCARW-SQNIBIBYSA-N 2 1 365.518 0.717 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602002 1195657819 /nfs/dbraw/zinc/65/78/19/1195657819.db2.gz YZDANBOENDQTGU-MSOLQXFVSA-N 2 1 365.518 0.983 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)n1 ZINC001083601939 1195665171 /nfs/dbraw/zinc/66/51/71/1195665171.db2.gz VEVMLBVDGOFMRZ-CABCVRRESA-N 2 1 363.462 0.100 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)n1 ZINC001083601939 1195665173 /nfs/dbraw/zinc/66/51/73/1195665173.db2.gz VEVMLBVDGOFMRZ-CABCVRRESA-N 2 1 363.462 0.100 20 0 FCADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000908001152 1195719838 /nfs/dbraw/zinc/71/98/38/1195719838.db2.gz LEZIHZMGAWGMQP-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000908001152 1195719845 /nfs/dbraw/zinc/71/98/45/1195719845.db2.gz LEZIHZMGAWGMQP-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000908001152 1195719852 /nfs/dbraw/zinc/71/98/52/1195719852.db2.gz LEZIHZMGAWGMQP-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000908001152 1195719859 /nfs/dbraw/zinc/71/98/59/1195719859.db2.gz LEZIHZMGAWGMQP-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000908001152 1195719865 /nfs/dbraw/zinc/71/98/65/1195719865.db2.gz LEZIHZMGAWGMQP-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1(C)C ZINC000910835842 1195848832 /nfs/dbraw/zinc/84/88/32/1195848832.db2.gz CLJJVSJZLZRMAK-UHFFFAOYSA-N 2 1 359.474 0.719 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1(C)C ZINC000910835842 1195848833 /nfs/dbraw/zinc/84/88/33/1195848833.db2.gz CLJJVSJZLZRMAK-UHFFFAOYSA-N 2 1 359.474 0.719 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000910977624 1195873058 /nfs/dbraw/zinc/87/30/58/1195873058.db2.gz VPFKBXNLKORQEH-CRAIPNDOSA-N 2 1 374.485 0.067 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029227 1195880415 /nfs/dbraw/zinc/88/04/15/1195880415.db2.gz LSXOLJJJNYPLTC-LTCOOKNTSA-N 2 1 358.486 0.964 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000911069830 1195886101 /nfs/dbraw/zinc/88/61/01/1195886101.db2.gz WSHFTZRARYKNIB-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000911069830 1195886105 /nfs/dbraw/zinc/88/61/05/1195886105.db2.gz WSHFTZRARYKNIB-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911079270 1195887535 /nfs/dbraw/zinc/88/75/35/1195887535.db2.gz WMLUDZMZTSFZBR-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644522 1195931626 /nfs/dbraw/zinc/93/16/26/1195931626.db2.gz KVMNCIRTLMYZJA-XYPHTWIQSA-N 2 1 371.441 0.026 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001219054959 1224323906 /nfs/dbraw/zinc/32/39/06/1224323906.db2.gz PRHVHESYGJGAEO-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001219054959 1224323910 /nfs/dbraw/zinc/32/39/10/1224323910.db2.gz PRHVHESYGJGAEO-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001219054959 1224323920 /nfs/dbraw/zinc/32/39/20/1224323920.db2.gz PRHVHESYGJGAEO-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001219054959 1224323929 /nfs/dbraw/zinc/32/39/29/1224323929.db2.gz PRHVHESYGJGAEO-FGTMMUONSA-N 2 1 369.506 0.434 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@@H](C(=O)N3CC[NH2+]CC3)C1)CC2 ZINC000911702257 1196308243 /nfs/dbraw/zinc/30/82/43/1196308243.db2.gz LAZRPAZLKKJQCG-CVEARBPZSA-N 2 1 359.474 0.424 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358244 1196319393 /nfs/dbraw/zinc/31/93/93/1196319393.db2.gz IAQRTIZPBLDCMF-NWGLXNPWSA-N 2 1 361.490 0.752 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cncn2C)CC3)O1 ZINC000991358244 1196319397 /nfs/dbraw/zinc/31/93/97/1196319397.db2.gz IAQRTIZPBLDCMF-NWGLXNPWSA-N 2 1 361.490 0.752 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083655146 1196349707 /nfs/dbraw/zinc/34/97/07/1196349707.db2.gz ZAOLWDYTFYAULT-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083655146 1196349712 /nfs/dbraw/zinc/34/97/12/1196349712.db2.gz ZAOLWDYTFYAULT-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083655146 1196349717 /nfs/dbraw/zinc/34/97/17/1196349717.db2.gz ZAOLWDYTFYAULT-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057153074 1196501319 /nfs/dbraw/zinc/50/13/19/1196501319.db2.gz JYUYHFZRSYWCHY-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057153074 1196501325 /nfs/dbraw/zinc/50/13/25/1196501325.db2.gz JYUYHFZRSYWCHY-KRWDZBQOSA-N 2 1 358.486 0.965 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592563066 1196569079 /nfs/dbraw/zinc/56/90/79/1196569079.db2.gz UWOJGFXGDZNCCS-KBPBESRZSA-N 2 1 363.462 0.429 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592560407 1196569083 /nfs/dbraw/zinc/56/90/83/1196569083.db2.gz NHENSYYKDJHGBW-IAGOWNOFSA-N 2 1 374.533 0.961 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C(=O)OC ZINC000593736949 1196652703 /nfs/dbraw/zinc/65/27/03/1196652703.db2.gz ONWJGZIGKVFRHU-DNCCFGNJSA-N 2 1 369.506 0.909 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105973827 1196761433 /nfs/dbraw/zinc/76/14/33/1196761433.db2.gz DGGWKSFDBRAPNI-OAGGEKHMSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001105973827 1196761442 /nfs/dbraw/zinc/76/14/42/1196761442.db2.gz DGGWKSFDBRAPNI-OAGGEKHMSA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001088983770 1196856489 /nfs/dbraw/zinc/85/64/89/1196856489.db2.gz NRXDJJBMXIRDLP-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001088983770 1196856491 /nfs/dbraw/zinc/85/64/91/1196856491.db2.gz NRXDJJBMXIRDLP-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060976 1196879532 /nfs/dbraw/zinc/87/95/32/1196879532.db2.gz QSVPPMUXAOURMF-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060976 1196879534 /nfs/dbraw/zinc/87/95/34/1196879534.db2.gz QSVPPMUXAOURMF-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001089060976 1196879536 /nfs/dbraw/zinc/87/95/36/1196879536.db2.gz QSVPPMUXAOURMF-OWCLPIDISA-N 2 1 364.490 0.589 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001106156494 1197315364 /nfs/dbraw/zinc/31/53/64/1197315364.db2.gz ASHIEMMCUIQGBK-XJKCOSOUSA-N 2 1 362.478 0.220 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001106156494 1197315368 /nfs/dbraw/zinc/31/53/68/1197315368.db2.gz ASHIEMMCUIQGBK-XJKCOSOUSA-N 2 1 362.478 0.220 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993031672 1197701924 /nfs/dbraw/zinc/70/19/24/1197701924.db2.gz MTILKFPUWMBVFI-WWNBULGVSA-N 2 1 364.534 0.974 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)O1 ZINC001085242728 1197739407 /nfs/dbraw/zinc/73/94/07/1197739407.db2.gz DVTHPMSNKVPRCC-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)O1 ZINC001085242728 1197739415 /nfs/dbraw/zinc/73/94/15/1197739415.db2.gz DVTHPMSNKVPRCC-QBPKDAKJSA-N 2 1 366.506 0.345 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001106247052 1197779846 /nfs/dbraw/zinc/77/98/46/1197779846.db2.gz URWGVPFNBICDJG-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106249239 1197782783 /nfs/dbraw/zinc/78/27/83/1197782783.db2.gz DIXOLQOMWNLZIA-BZUAXINKSA-N 2 1 359.474 0.677 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279355 1197786303 /nfs/dbraw/zinc/78/63/03/1197786303.db2.gz FZCBHBYKUVGRNA-NYBQLZRISA-N 2 1 361.446 0.450 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279355 1197786314 /nfs/dbraw/zinc/78/63/14/1197786314.db2.gz FZCBHBYKUVGRNA-NYBQLZRISA-N 2 1 361.446 0.450 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(N)=O ZINC001085376959 1197851792 /nfs/dbraw/zinc/85/17/92/1197851792.db2.gz BJDKQSMBZVVJRH-APHBMKBZSA-N 2 1 356.430 0.772 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993133030 1197854730 /nfs/dbraw/zinc/85/47/30/1197854730.db2.gz ASNIJZQVKXZSAW-APWZRJJASA-N 2 1 359.474 0.594 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1)C12CC[NH+](CC1)C2 ZINC001085395601 1197864611 /nfs/dbraw/zinc/86/46/11/1197864611.db2.gz TWIJKEQEFVHPAV-HUUCEWRRSA-N 2 1 359.478 0.621 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735590900 1197867449 /nfs/dbraw/zinc/86/74/49/1197867449.db2.gz OKCBCOYDYDPDJW-OAHLLOKOSA-N 2 1 359.474 0.587 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993157169 1197901134 /nfs/dbraw/zinc/90/11/34/1197901134.db2.gz PUYZTIVUZLQCOA-ABSDTBQOSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@]3(C)C2)C1 ZINC000993157176 1197901488 /nfs/dbraw/zinc/90/14/88/1197901488.db2.gz PUYZTIVUZLQCOA-FUHIMQAGSA-N 2 1 362.518 0.731 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435619 1197921367 /nfs/dbraw/zinc/92/13/67/1197921367.db2.gz PZDGYHPZUFSIAN-QLFBSQMISA-N 2 1 361.490 0.581 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106434649 1197924253 /nfs/dbraw/zinc/92/42/53/1197924253.db2.gz APUOJOGSBMTWIR-HUUCEWRRSA-N 2 1 361.490 0.534 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085606825 1197954686 /nfs/dbraw/zinc/95/46/86/1197954686.db2.gz ZCFAWACWRBNNOL-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001085606825 1197954695 /nfs/dbraw/zinc/95/46/95/1197954695.db2.gz ZCFAWACWRBNNOL-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606825 1197954716 /nfs/dbraw/zinc/95/47/16/1197954716.db2.gz ZCFAWACWRBNNOL-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606825 1197954730 /nfs/dbraw/zinc/95/47/30/1197954730.db2.gz ZCFAWACWRBNNOL-OWCLPIDISA-N 2 1 364.490 0.398 20 0 FCADMP CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321563 1197988979 /nfs/dbraw/zinc/98/89/79/1197988979.db2.gz LYVKRQIQMFBXFN-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321563 1197988985 /nfs/dbraw/zinc/98/89/85/1197988985.db2.gz LYVKRQIQMFBXFN-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129321574 1197991131 /nfs/dbraw/zinc/99/11/31/1197991131.db2.gz MAKDVZZKHMYDJQ-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129321574 1197991140 /nfs/dbraw/zinc/99/11/40/1197991140.db2.gz MAKDVZZKHMYDJQ-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP CCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322772 1198024334 /nfs/dbraw/zinc/02/43/34/1198024334.db2.gz XPJYKQSCEIBXHS-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322772 1198024341 /nfs/dbraw/zinc/02/43/41/1198024341.db2.gz XPJYKQSCEIBXHS-SJORKVTESA-N 2 1 364.494 0.532 20 0 FCADMP CC[C@@H](C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)OC ZINC001098404625 1198133495 /nfs/dbraw/zinc/13/34/95/1198133495.db2.gz QVPZJRPKWYKWMR-BPQIPLTHSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@@H](C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)OC ZINC001098404625 1198133510 /nfs/dbraw/zinc/13/35/10/1198133510.db2.gz QVPZJRPKWYKWMR-BPQIPLTHSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@@H](C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)OC ZINC001098404625 1198133532 /nfs/dbraw/zinc/13/35/32/1198133532.db2.gz QVPZJRPKWYKWMR-BPQIPLTHSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@@H](C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)OC ZINC001098404625 1198133538 /nfs/dbraw/zinc/13/35/38/1198133538.db2.gz QVPZJRPKWYKWMR-BPQIPLTHSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001086089574 1198149073 /nfs/dbraw/zinc/14/90/73/1198149073.db2.gz GGSCLUPQJGSDQK-LQKXBSAESA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001086089574 1198149086 /nfs/dbraw/zinc/14/90/86/1198149086.db2.gz GGSCLUPQJGSDQK-LQKXBSAESA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001086089943 1198150047 /nfs/dbraw/zinc/15/00/47/1198150047.db2.gz YNHLBTYCMARUDU-LJISPDSOSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001086089943 1198150057 /nfs/dbraw/zinc/15/00/57/1198150057.db2.gz YNHLBTYCMARUDU-LJISPDSOSA-N 2 1 365.478 0.931 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001086120479 1198182452 /nfs/dbraw/zinc/18/24/52/1198182452.db2.gz AMBQLQKFKJBKTR-MXASKKJJSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001086120479 1198182465 /nfs/dbraw/zinc/18/24/65/1198182465.db2.gz AMBQLQKFKJBKTR-MXASKKJJSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cncn2C)C1 ZINC001006289153 1198252434 /nfs/dbraw/zinc/25/24/34/1198252434.db2.gz PWUGZWSNSNKKFS-SRABZTEZSA-N 2 1 359.474 0.553 20 0 FCADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001086484154 1198959269 /nfs/dbraw/zinc/95/92/69/1198959269.db2.gz KVDIKPOZEWXKCF-TWPTVVAISA-N 2 1 358.486 0.690 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133750 1199048256 /nfs/dbraw/zinc/04/82/56/1199048256.db2.gz JPRWXELMIDAUER-DOADOZAASA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169133750 1199048260 /nfs/dbraw/zinc/04/82/60/1199048260.db2.gz JPRWXELMIDAUER-DOADOZAASA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169133750 1199048266 /nfs/dbraw/zinc/04/82/66/1199048266.db2.gz JPRWXELMIDAUER-DOADOZAASA-N 2 1 364.534 0.772 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129369910 1199128549 /nfs/dbraw/zinc/12/85/49/1199128549.db2.gz JRLLZLFHLVURPV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129369910 1199128551 /nfs/dbraw/zinc/12/85/51/1199128551.db2.gz JRLLZLFHLVURPV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129369910 1199128554 /nfs/dbraw/zinc/12/85/54/1199128554.db2.gz JRLLZLFHLVURPV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129369910 1199128558 /nfs/dbraw/zinc/12/85/58/1199128558.db2.gz JRLLZLFHLVURPV-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724128 1224577093 /nfs/dbraw/zinc/57/70/93/1224577093.db2.gz ZEGVGMRJXNZNKT-QZTJIDSGSA-N 3 1 374.529 0.703 20 0 FCADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729165 1224581462 /nfs/dbraw/zinc/58/14/62/1224581462.db2.gz PSTXJPINYPGCBP-FHWLQOOXSA-N 4 1 371.529 0.151 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109361145 1200205737 /nfs/dbraw/zinc/20/57/37/1200205737.db2.gz MUYSWDKOYKKTST-UGUYLWEFSA-N 2 1 369.485 0.413 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109361145 1200205743 /nfs/dbraw/zinc/20/57/43/1200205743.db2.gz MUYSWDKOYKKTST-UGUYLWEFSA-N 2 1 369.485 0.413 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410571 1200251750 /nfs/dbraw/zinc/25/17/50/1200251750.db2.gz KAYYTQHYVMHGGX-OWSLCNJRSA-N 2 1 369.506 0.216 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410571 1200251756 /nfs/dbraw/zinc/25/17/56/1200251756.db2.gz KAYYTQHYVMHGGX-OWSLCNJRSA-N 2 1 369.506 0.216 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410571 1200251760 /nfs/dbraw/zinc/25/17/60/1200251760.db2.gz KAYYTQHYVMHGGX-OWSLCNJRSA-N 2 1 369.506 0.216 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449520 1200289861 /nfs/dbraw/zinc/28/98/61/1200289861.db2.gz YUVJRDBVGQLYIV-QXSJWSMHSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449520 1200289866 /nfs/dbraw/zinc/28/98/66/1200289866.db2.gz YUVJRDBVGQLYIV-QXSJWSMHSA-N 2 1 366.506 0.330 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1 ZINC001109462796 1200303104 /nfs/dbraw/zinc/30/31/04/1200303104.db2.gz QPMGSKCJFBGYDP-QZWWFDLISA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109462796 1200303111 /nfs/dbraw/zinc/30/31/11/1200303111.db2.gz QPMGSKCJFBGYDP-QZWWFDLISA-N 2 1 363.506 0.696 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109462796 1200303124 /nfs/dbraw/zinc/30/31/24/1200303124.db2.gz QPMGSKCJFBGYDP-QZWWFDLISA-N 2 1 363.506 0.696 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001109471274 1200312919 /nfs/dbraw/zinc/31/29/19/1200312919.db2.gz WRQXDKAOTWGTCK-VSZNYVQBSA-N 2 1 371.485 0.860 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001109471274 1200312926 /nfs/dbraw/zinc/31/29/26/1200312926.db2.gz WRQXDKAOTWGTCK-VSZNYVQBSA-N 2 1 371.485 0.860 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652866 1200445393 /nfs/dbraw/zinc/44/53/93/1200445393.db2.gz HSANRQGZNLHIAE-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652866 1200445398 /nfs/dbraw/zinc/44/53/98/1200445398.db2.gz HSANRQGZNLHIAE-KBXIAJHMSA-N 2 1 367.494 0.284 20 0 FCADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795566 1224615182 /nfs/dbraw/zinc/61/51/82/1224615182.db2.gz CYZDRVJCEGBBDU-INIZCTEOSA-N 2 1 368.522 0.639 20 0 FCADMP [NH3+]C1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CCC2(CC1)OCCO2 ZINC001219796194 1224616478 /nfs/dbraw/zinc/61/64/78/1224616478.db2.gz QGWFOZAEQQTDSO-UHFFFAOYSA-N 2 1 366.506 0.334 20 0 FCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317727 1200560462 /nfs/dbraw/zinc/56/04/62/1200560462.db2.gz WRSSLIJFAAKSRK-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317727 1200560473 /nfs/dbraw/zinc/56/04/73/1200560473.db2.gz WRSSLIJFAAKSRK-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317727 1200560479 /nfs/dbraw/zinc/56/04/79/1200560479.db2.gz WRSSLIJFAAKSRK-SJORKVTESA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001219799937 1224620129 /nfs/dbraw/zinc/62/01/29/1224620129.db2.gz CYJMLTLDOYDYDW-ZACQAIPSSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001219799937 1224620136 /nfs/dbraw/zinc/62/01/36/1224620136.db2.gz CYJMLTLDOYDYDW-ZACQAIPSSA-N 2 1 363.506 0.411 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001219806167 1224625885 /nfs/dbraw/zinc/62/58/85/1224625885.db2.gz MLOAPRBRCKDRQS-JQWIXIFHSA-N 2 1 373.379 0.283 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)C1CC1 ZINC001219805860 1224626028 /nfs/dbraw/zinc/62/60/28/1224626028.db2.gz ULGJGNWMNNYKQH-SQNIBIBYSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)C1CC1 ZINC001219805860 1224626043 /nfs/dbraw/zinc/62/60/43/1224626043.db2.gz ULGJGNWMNNYKQH-SQNIBIBYSA-N 2 1 365.449 0.706 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219812012 1224628288 /nfs/dbraw/zinc/62/82/88/1224628288.db2.gz HYAIXPXKCFQYCI-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219812012 1224628293 /nfs/dbraw/zinc/62/82/93/1224628293.db2.gz HYAIXPXKCFQYCI-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219812012 1224628304 /nfs/dbraw/zinc/62/83/04/1224628304.db2.gz HYAIXPXKCFQYCI-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)c1 ZINC001219812012 1224628314 /nfs/dbraw/zinc/62/83/14/1224628314.db2.gz HYAIXPXKCFQYCI-MOPGFXCFSA-N 2 1 361.486 0.979 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813684 1224629410 /nfs/dbraw/zinc/62/94/10/1224629410.db2.gz ZHMFDIUXHFJILG-BJLQDIEVSA-N 2 1 358.486 0.203 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813684 1224629419 /nfs/dbraw/zinc/62/94/19/1224629419.db2.gz ZHMFDIUXHFJILG-BJLQDIEVSA-N 2 1 358.486 0.203 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CCC1 ZINC001219813817 1224630370 /nfs/dbraw/zinc/63/03/70/1224630370.db2.gz GVBMWMDTXJQQPU-SJORKVTESA-N 2 1 363.506 0.784 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546030 1200767413 /nfs/dbraw/zinc/76/74/13/1200767413.db2.gz PQJVILRANZKKHN-LPHOPBHVSA-N 2 1 366.506 0.063 20 0 FCADMP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219815040 1224630986 /nfs/dbraw/zinc/63/09/86/1224630986.db2.gz RMEFQLFCJLHAJC-WFXMLNOXSA-N 3 1 370.497 0.060 20 0 FCADMP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219815040 1224630989 /nfs/dbraw/zinc/63/09/89/1224630989.db2.gz RMEFQLFCJLHAJC-WFXMLNOXSA-N 3 1 370.497 0.060 20 0 FCADMP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001112552838 1200779898 /nfs/dbraw/zinc/77/98/98/1200779898.db2.gz RJHHWOWVVDLBEJ-KXBFYZLASA-N 2 1 368.441 0.585 20 0 FCADMP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219815039 1224631431 /nfs/dbraw/zinc/63/14/31/1224631431.db2.gz RMEFQLFCJLHAJC-UEXGIBASSA-N 3 1 370.497 0.060 20 0 FCADMP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219815039 1224631442 /nfs/dbraw/zinc/63/14/42/1224631442.db2.gz RMEFQLFCJLHAJC-UEXGIBASSA-N 3 1 370.497 0.060 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001112567596 1200802119 /nfs/dbraw/zinc/80/21/19/1200802119.db2.gz YCSHABYDVGGTDW-YJBOKZPZSA-N 2 1 363.510 0.660 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001112567596 1200802123 /nfs/dbraw/zinc/80/21/23/1200802123.db2.gz YCSHABYDVGGTDW-YJBOKZPZSA-N 2 1 363.510 0.660 20 0 FCADMP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2)C1CC1 ZINC001112578189 1200816876 /nfs/dbraw/zinc/81/68/76/1200816876.db2.gz CFWAHTBLOAYBLU-GUXCAODWSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001112579172 1200818028 /nfs/dbraw/zinc/81/80/28/1200818028.db2.gz ZLAPZHAOSZSNIT-UWVAXJGDSA-N 2 1 362.518 0.683 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001112583147 1200820825 /nfs/dbraw/zinc/82/08/25/1200820825.db2.gz GBDUMJFDNOVJFS-FCEWJHQRSA-N 2 1 366.506 0.062 20 0 FCADMP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583147 1200820828 /nfs/dbraw/zinc/82/08/28/1200820828.db2.gz GBDUMJFDNOVJFS-FCEWJHQRSA-N 2 1 366.506 0.062 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112583372 1200820909 /nfs/dbraw/zinc/82/09/09/1200820909.db2.gz QFBONWGPZBAVET-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112583372 1200820913 /nfs/dbraw/zinc/82/09/13/1200820913.db2.gz QFBONWGPZBAVET-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000786330042 1200834775 /nfs/dbraw/zinc/83/47/75/1200834775.db2.gz BCRWVKZLKLLAQR-SJORKVTESA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000787132461 1200866785 /nfs/dbraw/zinc/86/67/85/1200866785.db2.gz ZGIPXDCTLAVHRW-KRWDZBQOSA-N 2 1 366.506 0.347 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129393534 1200926468 /nfs/dbraw/zinc/92/64/68/1200926468.db2.gz NYQNBRFESWJZSX-BBWFWOEESA-N 2 1 366.510 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579115 1201024143 /nfs/dbraw/zinc/02/41/43/1201024143.db2.gz NATMDSFDNAMUOC-IPMKNSEASA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579115 1201024157 /nfs/dbraw/zinc/02/41/57/1201024157.db2.gz NATMDSFDNAMUOC-IPMKNSEASA-N 2 1 368.485 0.957 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579115 1201024169 /nfs/dbraw/zinc/02/41/69/1201024169.db2.gz NATMDSFDNAMUOC-IPMKNSEASA-N 2 1 368.485 0.957 20 0 FCADMP Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000790273229 1201064418 /nfs/dbraw/zinc/06/44/18/1201064418.db2.gz CRKGYZBQSSBUTR-OWCLPIDISA-N 2 1 359.474 0.869 20 0 FCADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368815 1201075630 /nfs/dbraw/zinc/07/56/30/1201075630.db2.gz KDJGKEJAQWVVCC-MAUKXSAKSA-N 2 1 360.462 0.864 20 0 FCADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368815 1201075642 /nfs/dbraw/zinc/07/56/42/1201075642.db2.gz KDJGKEJAQWVVCC-MAUKXSAKSA-N 2 1 360.462 0.864 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[NH+](C)C ZINC001219846742 1224650934 /nfs/dbraw/zinc/65/09/34/1224650934.db2.gz ATBRCWDBULHYOF-IKGGRYGDSA-N 2 1 361.446 0.470 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[NH+](C)C ZINC001219846742 1224650947 /nfs/dbraw/zinc/65/09/47/1224650947.db2.gz ATBRCWDBULHYOF-IKGGRYGDSA-N 2 1 361.446 0.470 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847524 1224653058 /nfs/dbraw/zinc/65/30/58/1224653058.db2.gz JXCQNBIAABZMQK-DOADOZAASA-N 2 1 358.486 0.486 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847524 1224653063 /nfs/dbraw/zinc/65/30/63/1224653063.db2.gz JXCQNBIAABZMQK-DOADOZAASA-N 2 1 358.486 0.486 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1c1ccccc1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086600438 1201152168 /nfs/dbraw/zinc/15/21/68/1201152168.db2.gz SYPBPMNIMDEEPU-AWUNBKGKSA-N 2 1 371.481 0.426 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1c1ccccc1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086600438 1201152172 /nfs/dbraw/zinc/15/21/72/1201152172.db2.gz SYPBPMNIMDEEPU-AWUNBKGKSA-N 2 1 371.481 0.426 20 0 FCADMP Cn1cncc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392982 1201208882 /nfs/dbraw/zinc/20/88/82/1201208882.db2.gz JAULBTBDFSTCDI-CUINURIISA-N 2 1 369.510 0.694 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000793715094 1201254575 /nfs/dbraw/zinc/25/45/75/1201254575.db2.gz WPCHGJVPPWARKL-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114298816 1201292325 /nfs/dbraw/zinc/29/23/25/1201292325.db2.gz RLTSQOJWWUGNHP-JLOCXQCDSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001114298816 1201292331 /nfs/dbraw/zinc/29/23/31/1201292331.db2.gz RLTSQOJWWUGNHP-JLOCXQCDSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114298816 1201292335 /nfs/dbraw/zinc/29/23/35/1201292335.db2.gz RLTSQOJWWUGNHP-JLOCXQCDSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114298816 1201292336 /nfs/dbraw/zinc/29/23/36/1201292336.db2.gz RLTSQOJWWUGNHP-JLOCXQCDSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412398 1201301025 /nfs/dbraw/zinc/30/10/25/1201301025.db2.gz QBQQOMFHAWLPRQ-BMFZPTHFSA-N 2 1 363.441 0.734 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453607 1201312117 /nfs/dbraw/zinc/31/21/17/1201312117.db2.gz FDYZPLWHFYZHRH-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433474 1201313689 /nfs/dbraw/zinc/31/36/89/1201313689.db2.gz BFXYSPVHFSGQGK-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433474 1201313694 /nfs/dbraw/zinc/31/36/94/1201313694.db2.gz BFXYSPVHFSGQGK-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433474 1201313701 /nfs/dbraw/zinc/31/37/01/1201313701.db2.gz BFXYSPVHFSGQGK-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433474 1201313705 /nfs/dbraw/zinc/31/37/05/1201313705.db2.gz BFXYSPVHFSGQGK-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433776 1201314848 /nfs/dbraw/zinc/31/48/48/1201314848.db2.gz RFEXQZDYTLOORE-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433776 1201314850 /nfs/dbraw/zinc/31/48/50/1201314850.db2.gz RFEXQZDYTLOORE-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433944 1201315567 /nfs/dbraw/zinc/31/55/67/1201315567.db2.gz ZQQIXMTYBIHDRE-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433944 1201315577 /nfs/dbraw/zinc/31/55/77/1201315577.db2.gz ZQQIXMTYBIHDRE-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433944 1201315586 /nfs/dbraw/zinc/31/55/86/1201315586.db2.gz ZQQIXMTYBIHDRE-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219877854 1224668553 /nfs/dbraw/zinc/66/85/53/1224668553.db2.gz SUFAJLBZRROEHE-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877892 1224668950 /nfs/dbraw/zinc/66/89/50/1224668950.db2.gz UMDOXAXUAVCEOR-SJORKVTESA-N 2 1 371.522 0.321 20 0 FCADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716854 1201376594 /nfs/dbraw/zinc/37/65/94/1201376594.db2.gz DFZYMAROIBIQGD-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129716854 1201376596 /nfs/dbraw/zinc/37/65/96/1201376596.db2.gz DFZYMAROIBIQGD-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894922 1201429766 /nfs/dbraw/zinc/42/97/66/1201429766.db2.gz YBDVNEUYYDPTOM-UAGQMJEPSA-N 2 1 364.494 0.265 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2n2ccnn2)on1 ZINC001129984845 1201463112 /nfs/dbraw/zinc/46/31/12/1201463112.db2.gz DZXKNLKULRDQTJ-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129986489 1201468180 /nfs/dbraw/zinc/46/81/80/1201468180.db2.gz CBNOVHDORGJHBG-CABCVRRESA-N 2 1 361.450 0.458 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012082 1201471113 /nfs/dbraw/zinc/47/11/13/1201471113.db2.gz NPSAIZDJXRAMNX-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075673 1201495278 /nfs/dbraw/zinc/49/52/78/1201495278.db2.gz ZSFKEYNUEXMZMF-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130096785 1201499075 /nfs/dbraw/zinc/49/90/75/1201499075.db2.gz QODUDRFRZOPIHO-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123263 1201511063 /nfs/dbraw/zinc/51/10/63/1201511063.db2.gz LOHMTIJOEFULHM-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123488 1201512351 /nfs/dbraw/zinc/51/23/51/1201512351.db2.gz SPOVBKKYYPTJJZ-CVEARBPZSA-N 2 1 361.450 0.251 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137322 1201515196 /nfs/dbraw/zinc/51/51/96/1201515196.db2.gz TUUOKTHGUSTKFQ-MSOLQXFVSA-N 2 1 371.489 0.863 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137322 1201515199 /nfs/dbraw/zinc/51/51/99/1201515199.db2.gz TUUOKTHGUSTKFQ-MSOLQXFVSA-N 2 1 371.489 0.863 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnnn2-c2ccccc2)O1 ZINC001130182379 1201525715 /nfs/dbraw/zinc/52/57/15/1201525715.db2.gz FJAIQHFMIKBJOO-RHSMWYFYSA-N 2 1 358.446 0.192 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnnn2-c2ccccc2)O1 ZINC001130182379 1201525717 /nfs/dbraw/zinc/52/57/17/1201525717.db2.gz FJAIQHFMIKBJOO-RHSMWYFYSA-N 2 1 358.446 0.192 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1cccc(F)c1 ZINC001130184305 1201535958 /nfs/dbraw/zinc/53/59/58/1201535958.db2.gz KPCZPHSERYPJBW-XJKCOSOUSA-N 2 1 366.437 0.578 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1cccc(F)c1 ZINC001130184305 1201535962 /nfs/dbraw/zinc/53/59/62/1201535962.db2.gz KPCZPHSERYPJBW-XJKCOSOUSA-N 2 1 366.437 0.578 20 0 FCADMP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184203 1201536089 /nfs/dbraw/zinc/53/60/89/1201536089.db2.gz FXSMPTZNXXMZGD-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184203 1201536091 /nfs/dbraw/zinc/53/60/91/1201536091.db2.gz FXSMPTZNXXMZGD-BFYDXBDKSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001130184333 1201537723 /nfs/dbraw/zinc/53/77/23/1201537723.db2.gz MCLHVCMGFPFMNI-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001130184333 1201537727 /nfs/dbraw/zinc/53/77/27/1201537727.db2.gz MCLHVCMGFPFMNI-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)O1 ZINC001130184339 1201537737 /nfs/dbraw/zinc/53/77/37/1201537737.db2.gz MEWOBDHIXOHMAL-RHSMWYFYSA-N 2 1 362.474 0.313 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)O1 ZINC001130184339 1201537740 /nfs/dbraw/zinc/53/77/40/1201537740.db2.gz MEWOBDHIXOHMAL-RHSMWYFYSA-N 2 1 362.474 0.313 20 0 FCADMP CC(C)[C@](C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022181 1224729956 /nfs/dbraw/zinc/72/99/56/1224729956.db2.gz BABXZRAQFAXNRM-LPHOPBHVSA-N 2 1 358.486 0.724 20 0 FCADMP CC(C)[C@](C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)C(N)=O ZINC001220022181 1224729960 /nfs/dbraw/zinc/72/99/60/1224729960.db2.gz BABXZRAQFAXNRM-LPHOPBHVSA-N 2 1 358.486 0.724 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130590133 1202725851 /nfs/dbraw/zinc/72/58/51/1202725851.db2.gz ARQGLMIISHRVFH-JQHSSLGASA-N 2 1 363.506 0.559 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607720 1202733484 /nfs/dbraw/zinc/73/34/84/1202733484.db2.gz LWQGJXISTVXDNR-UWWQBHOKSA-N 2 1 363.506 0.823 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130732099 1202772794 /nfs/dbraw/zinc/77/27/94/1202772794.db2.gz ZKMPCBGONVOSNC-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130732099 1202772798 /nfs/dbraw/zinc/77/27/98/1202772798.db2.gz ZKMPCBGONVOSNC-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n1 ZINC001130802153 1202803282 /nfs/dbraw/zinc/80/32/82/1202803282.db2.gz FOFHFYTVYMYAJC-LSDHHAIUSA-N 2 1 364.494 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130816391 1202807333 /nfs/dbraw/zinc/80/73/33/1202807333.db2.gz UOVAYAWVAWNELC-QLFBSQMISA-N 2 1 364.494 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130816391 1202807334 /nfs/dbraw/zinc/80/73/34/1202807334.db2.gz UOVAYAWVAWNELC-QLFBSQMISA-N 2 1 364.494 0.982 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130816391 1202807338 /nfs/dbraw/zinc/80/73/38/1202807338.db2.gz UOVAYAWVAWNELC-QLFBSQMISA-N 2 1 364.494 0.982 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078050 1224747097 /nfs/dbraw/zinc/74/70/97/1224747097.db2.gz HPRVLNZQDCQVFD-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078050 1224747104 /nfs/dbraw/zinc/74/71/04/1224747104.db2.gz HPRVLNZQDCQVFD-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946118 1202827743 /nfs/dbraw/zinc/82/77/43/1202827743.db2.gz KIGKCGNGQHOXGD-NUJGCVRESA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946118 1202827745 /nfs/dbraw/zinc/82/77/45/1202827745.db2.gz KIGKCGNGQHOXGD-NUJGCVRESA-N 2 1 363.506 0.825 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010335 1202844075 /nfs/dbraw/zinc/84/40/75/1202844075.db2.gz JJUBTLUOEJTHNW-DJIMGWMZSA-N 2 1 363.506 0.823 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131101172 1202863177 /nfs/dbraw/zinc/86/31/77/1202863177.db2.gz QXXZYLPZNQWCKV-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131115724 1202865050 /nfs/dbraw/zinc/86/50/50/1202865050.db2.gz WYYLDXJZFKMWOP-GVDBMIGSSA-N 2 1 365.522 0.807 20 0 FCADMP CC(=O)NCC[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000808216603 1202876419 /nfs/dbraw/zinc/87/64/19/1202876419.db2.gz BZGDJWCIKQIDQV-HNNXBMFYSA-N 2 1 365.478 0.198 20 0 FCADMP CC(=O)NCC[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000808216603 1202876421 /nfs/dbraw/zinc/87/64/21/1202876421.db2.gz BZGDJWCIKQIDQV-HNNXBMFYSA-N 2 1 365.478 0.198 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316683 1202886158 /nfs/dbraw/zinc/88/61/58/1202886158.db2.gz RIQDDJSAJLEDCX-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316683 1202886160 /nfs/dbraw/zinc/88/61/60/1202886160.db2.gz RIQDDJSAJLEDCX-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131316683 1202886162 /nfs/dbraw/zinc/88/61/62/1202886162.db2.gz RIQDDJSAJLEDCX-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131316683 1202886166 /nfs/dbraw/zinc/88/61/66/1202886166.db2.gz RIQDDJSAJLEDCX-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001131464339 1202900159 /nfs/dbraw/zinc/90/01/59/1202900159.db2.gz NCLVXPTXBZKXMA-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962807 1202938676 /nfs/dbraw/zinc/93/86/76/1202938676.db2.gz KQXPZZDQTRPOPB-QFBILLFUSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809962807 1202938678 /nfs/dbraw/zinc/93/86/78/1202938678.db2.gz KQXPZZDQTRPOPB-QFBILLFUSA-N 2 1 370.538 0.974 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086694395 1202967298 /nfs/dbraw/zinc/96/72/98/1202967298.db2.gz PXCFYGAEMJESFC-GVDBMIGSSA-N 2 1 365.522 0.759 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001086716957 1203012501 /nfs/dbraw/zinc/01/25/01/1203012501.db2.gz ZIPUTRFCFYIZGN-LZWOXQAQSA-N 2 1 357.462 0.964 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001134126401 1203015501 /nfs/dbraw/zinc/01/55/01/1203015501.db2.gz OYQHDHRDLKWWHA-BMFZPTHFSA-N 2 1 357.462 0.322 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001134126401 1203015504 /nfs/dbraw/zinc/01/55/04/1203015504.db2.gz OYQHDHRDLKWWHA-BMFZPTHFSA-N 2 1 357.462 0.322 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001134126402 1203015682 /nfs/dbraw/zinc/01/56/82/1203015682.db2.gz OYQHDHRDLKWWHA-IMJJTQAJSA-N 2 1 357.462 0.322 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC001134126402 1203015685 /nfs/dbraw/zinc/01/56/85/1203015685.db2.gz OYQHDHRDLKWWHA-IMJJTQAJSA-N 2 1 357.462 0.322 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1nncn1C ZINC001134126597 1203015845 /nfs/dbraw/zinc/01/58/45/1203015845.db2.gz ZCMHOJNRBGBIMN-OIISXLGYSA-N 2 1 356.474 0.927 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1nncn1C ZINC001134126597 1203015848 /nfs/dbraw/zinc/01/58/48/1203015848.db2.gz ZCMHOJNRBGBIMN-OIISXLGYSA-N 2 1 356.474 0.927 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn2cc[nH+]c12 ZINC000815506610 1203039684 /nfs/dbraw/zinc/03/96/84/1203039684.db2.gz DPVNKTAPAILOLW-GJZGRUSLSA-N 2 1 357.414 0.561 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn2cc[nH+]c12 ZINC000815506610 1203039687 /nfs/dbraw/zinc/03/96/87/1203039687.db2.gz DPVNKTAPAILOLW-GJZGRUSLSA-N 2 1 357.414 0.561 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086763148 1203084372 /nfs/dbraw/zinc/08/43/72/1203084372.db2.gz UWTVBPLFONZIBH-SFQLRQOASA-N 2 1 371.485 0.714 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3cnnn3C)C1)C2 ZINC001086803071 1203101223 /nfs/dbraw/zinc/10/12/23/1203101223.db2.gz ODRYDKBRWXLJMN-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP CCOCCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863293 1203101654 /nfs/dbraw/zinc/10/16/54/1203101654.db2.gz VGOMEIVGUKNCIG-GVDBMIGSSA-N 2 1 370.538 0.744 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001170872705 1203108011 /nfs/dbraw/zinc/10/80/11/1203108011.db2.gz YSZLSFSEYKFUJM-QLFBSQMISA-N 2 1 369.510 0.437 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000817990140 1203131451 /nfs/dbraw/zinc/13/14/51/1203131451.db2.gz XRLYDXMJASIWGT-JCYILVPMSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000817990140 1203131454 /nfs/dbraw/zinc/13/14/54/1203131454.db2.gz XRLYDXMJASIWGT-JCYILVPMSA-N 2 1 368.522 0.674 20 0 FCADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C[NH+]1CCCC1 ZINC000822939180 1203241653 /nfs/dbraw/zinc/24/16/53/1203241653.db2.gz IKIQJADPEGNXTB-UHFFFAOYSA-N 2 1 372.469 0.769 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090875595 1203325693 /nfs/dbraw/zinc/32/56/93/1203325693.db2.gz AZZRCFCSAMNODB-DLBZAZTESA-N 2 1 371.441 0.270 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228341 1224809258 /nfs/dbraw/zinc/80/92/58/1224809258.db2.gz JLZFECOOBCPJIV-FXAWDEMLSA-N 3 1 374.485 0.247 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC001220228341 1224809263 /nfs/dbraw/zinc/80/92/63/1224809263.db2.gz JLZFECOOBCPJIV-FXAWDEMLSA-N 2 1 374.485 0.247 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220227024 1224809486 /nfs/dbraw/zinc/80/94/86/1224809486.db2.gz FSVCCGYHXHMZCR-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220227024 1224809487 /nfs/dbraw/zinc/80/94/87/1224809487.db2.gz FSVCCGYHXHMZCR-BBWFWOEESA-N 2 1 369.506 0.075 20 0 FCADMP COC(=O)[C@]1(NC(=O)C2(N)CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228158 1224809509 /nfs/dbraw/zinc/80/95/09/1224809509.db2.gz BYSJUBLBTLCXSB-IBGZPJMESA-N 2 1 360.458 0.001 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228646 1224810100 /nfs/dbraw/zinc/81/01/00/1224810100.db2.gz SCKYCYNNDZOKFB-GJYPPUQNSA-N 2 1 363.433 0.868 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228644 1224810532 /nfs/dbraw/zinc/81/05/32/1224810532.db2.gz SCKYCYNNDZOKFB-BXWFABGCSA-N 2 1 363.433 0.868 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000844496382 1204413280 /nfs/dbraw/zinc/41/32/80/1204413280.db2.gz URHZDHKOEQBWDJ-MRXNPFEDSA-N 2 1 359.474 0.721 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000844496382 1204413287 /nfs/dbraw/zinc/41/32/87/1204413287.db2.gz URHZDHKOEQBWDJ-MRXNPFEDSA-N 2 1 359.474 0.721 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001091039219 1204454126 /nfs/dbraw/zinc/45/41/26/1204454126.db2.gz SWLMBTCUJGBAEJ-SSHXOBKSSA-N 2 1 364.490 0.350 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@H](Cc2ccccc2)C1 ZINC000846356824 1204619967 /nfs/dbraw/zinc/61/99/67/1204619967.db2.gz LJJAYAWMHZLTRC-WIYYLYMNSA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@H](Cc2ccccc2)C1 ZINC000846356824 1204619975 /nfs/dbraw/zinc/61/99/75/1204619975.db2.gz LJJAYAWMHZLTRC-WIYYLYMNSA-N 2 1 370.497 0.726 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355558 1224841594 /nfs/dbraw/zinc/84/15/94/1224841594.db2.gz UTMZLPBZNSWPBL-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355558 1224841596 /nfs/dbraw/zinc/84/15/96/1224841596.db2.gz UTMZLPBZNSWPBL-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355558 1224841599 /nfs/dbraw/zinc/84/15/99/1224841599.db2.gz UTMZLPBZNSWPBL-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543091 1204709308 /nfs/dbraw/zinc/70/93/08/1204709308.db2.gz BRFWTFSJUMGGPJ-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091543091 1204709316 /nfs/dbraw/zinc/70/93/16/1204709316.db2.gz BRFWTFSJUMGGPJ-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091543091 1204709323 /nfs/dbraw/zinc/70/93/23/1204709323.db2.gz BRFWTFSJUMGGPJ-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372531 1224846736 /nfs/dbraw/zinc/84/67/36/1224846736.db2.gz AJENDWRBCGTFLX-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372531 1224846741 /nfs/dbraw/zinc/84/67/41/1224846741.db2.gz AJENDWRBCGTFLX-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372531 1224846745 /nfs/dbraw/zinc/84/67/45/1224846745.db2.gz AJENDWRBCGTFLX-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372531 1224846746 /nfs/dbraw/zinc/84/67/46/1224846746.db2.gz AJENDWRBCGTFLX-MOPGFXCFSA-N 2 1 363.502 0.749 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O)[NH+](C)C ZINC001220380021 1224849819 /nfs/dbraw/zinc/84/98/19/1224849819.db2.gz NDMGNSJIWAMTBN-QYZOEREBSA-N 2 1 361.486 0.761 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O)[NH+](C)C ZINC001220380021 1224849825 /nfs/dbraw/zinc/84/98/25/1224849825.db2.gz NDMGNSJIWAMTBN-QYZOEREBSA-N 2 1 361.486 0.761 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583964 1204798951 /nfs/dbraw/zinc/79/89/51/1204798951.db2.gz ZBSHRNSWQWISQZ-KZNAEPCWSA-N 2 1 367.534 0.894 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583964 1204798956 /nfs/dbraw/zinc/79/89/56/1204798956.db2.gz ZBSHRNSWQWISQZ-KZNAEPCWSA-N 2 1 367.534 0.894 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583964 1204798962 /nfs/dbraw/zinc/79/89/62/1204798962.db2.gz ZBSHRNSWQWISQZ-KZNAEPCWSA-N 2 1 367.534 0.894 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387277 1224854016 /nfs/dbraw/zinc/85/40/16/1224854016.db2.gz FWPHOILKWQDEKH-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388002 1224854086 /nfs/dbraw/zinc/85/40/86/1224854086.db2.gz XMWYFEPRBOKFHD-KURKYZTESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716879 1204831863 /nfs/dbraw/zinc/83/18/63/1204831863.db2.gz XKJKZPYNWFZWJY-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716879 1204831864 /nfs/dbraw/zinc/83/18/64/1204831864.db2.gz XKJKZPYNWFZWJY-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716879 1204831865 /nfs/dbraw/zinc/83/18/65/1204831865.db2.gz XKJKZPYNWFZWJY-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738458 1204837829 /nfs/dbraw/zinc/83/78/29/1204837829.db2.gz YXPUHHZOVMRLES-KPFFTGBYSA-N 2 1 362.518 0.729 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1)C1CC1 ZINC001091738296 1204837853 /nfs/dbraw/zinc/83/78/53/1204837853.db2.gz TZJTYLCVSPYTOW-ZTNFWEORSA-N 2 1 362.518 0.728 20 0 FCADMP Cn1nnnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754738 1204843953 /nfs/dbraw/zinc/84/39/53/1204843953.db2.gz YIDNPCLYTBPJCB-RKVPGOIHSA-N 2 1 361.494 0.365 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086985942 1204880460 /nfs/dbraw/zinc/88/04/60/1204880460.db2.gz MIDINWJJNBKDRW-RCCFBDPRSA-N 2 1 363.506 0.417 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086981937 1204886567 /nfs/dbraw/zinc/88/65/67/1204886567.db2.gz LLXXFIUDPIZLDZ-GVDBMIGSSA-N 2 1 359.478 0.151 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001087059356 1204943032 /nfs/dbraw/zinc/94/30/32/1204943032.db2.gz AMOQUGZQWRNMED-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1 ZINC001087058367 1204965553 /nfs/dbraw/zinc/96/55/53/1204965553.db2.gz GHESZPRCVCIESB-DJIMGWMZSA-N 2 1 365.478 0.897 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087080874 1204992350 /nfs/dbraw/zinc/99/23/50/1204992350.db2.gz JUBDFLLJOWEUBU-BFYDXBDKSA-N 2 1 367.494 0.917 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087100733 1204996762 /nfs/dbraw/zinc/99/67/62/1204996762.db2.gz BBXBVEDFIZQHQA-JFIYKMOQSA-N 2 1 363.506 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087100434 1204997729 /nfs/dbraw/zinc/99/77/29/1204997729.db2.gz SGJBRQTYORRPTO-GVDBMIGSSA-N 2 1 361.490 0.690 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787169 1205012823 /nfs/dbraw/zinc/01/28/23/1205012823.db2.gz TWMGHECZIQIADX-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787169 1205012827 /nfs/dbraw/zinc/01/28/27/1205012827.db2.gz TWMGHECZIQIADX-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001091787169 1205012829 /nfs/dbraw/zinc/01/28/29/1205012829.db2.gz TWMGHECZIQIADX-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001091819027 1205042144 /nfs/dbraw/zinc/04/21/44/1205042144.db2.gz NHJQMPCSNYCPJX-MDZRGWNJSA-N 2 1 360.502 0.674 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001220429544 1224869462 /nfs/dbraw/zinc/86/94/62/1224869462.db2.gz UMDJIKBYUPKYDA-MJQMVNBJSA-N 2 1 356.470 0.573 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145226 1205171170 /nfs/dbraw/zinc/17/11/70/1205171170.db2.gz ISMHCAXRDLRUKK-ALKREAHSSA-N 2 1 366.506 0.141 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092157535 1205174587 /nfs/dbraw/zinc/17/45/87/1205174587.db2.gz CXUSUYDFXIJZDF-HLIPFELVSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC001092275519 1205221730 /nfs/dbraw/zinc/22/17/30/1205221730.db2.gz GTEYFWIMZNBDQK-UZLBHIALSA-N 2 1 362.518 0.921 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)nn1 ZINC001092299556 1205233392 /nfs/dbraw/zinc/23/33/92/1205233392.db2.gz BDDVHKSORPNRMG-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)nn1 ZINC001092299556 1205233394 /nfs/dbraw/zinc/23/33/94/1205233394.db2.gz BDDVHKSORPNRMG-APWZRJJASA-N 2 1 360.506 0.971 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287032 1205252457 /nfs/dbraw/zinc/25/24/57/1205252457.db2.gz URDDMMSQDQGUON-LMMKCTJWSA-N 2 1 361.490 0.384 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287032 1205252465 /nfs/dbraw/zinc/25/24/65/1205252465.db2.gz URDDMMSQDQGUON-LMMKCTJWSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287032 1205252474 /nfs/dbraw/zinc/25/24/74/1205252474.db2.gz URDDMMSQDQGUON-LMMKCTJWSA-N 2 1 361.490 0.384 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCn4cccn4)C[C@@]3(C)C2)C1 ZINC001092287032 1205252484 /nfs/dbraw/zinc/25/24/84/1205252484.db2.gz URDDMMSQDQGUON-LMMKCTJWSA-N 2 1 361.490 0.384 20 0 FCADMP CC(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375334 1205277378 /nfs/dbraw/zinc/27/73/78/1205277378.db2.gz KJYQIVQYQFAUJF-OWCLPIDISA-N 2 1 361.490 0.830 20 0 FCADMP CC(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092375334 1205277380 /nfs/dbraw/zinc/27/73/80/1205277380.db2.gz KJYQIVQYQFAUJF-OWCLPIDISA-N 2 1 361.490 0.830 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522542 1205302932 /nfs/dbraw/zinc/30/29/32/1205302932.db2.gz QHEWUYXIXMUEJP-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522542 1205302936 /nfs/dbraw/zinc/30/29/36/1205302936.db2.gz QHEWUYXIXMUEJP-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522542 1205302939 /nfs/dbraw/zinc/30/29/39/1205302939.db2.gz QHEWUYXIXMUEJP-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)ccn1 ZINC001092522542 1205302942 /nfs/dbraw/zinc/30/29/42/1205302942.db2.gz QHEWUYXIXMUEJP-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611468 1205323877 /nfs/dbraw/zinc/32/38/77/1205323877.db2.gz XFMJOWNMSQPFGH-LZQZEXGQSA-N 2 1 359.518 0.989 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2C)CC[NH+]1C ZINC001092620312 1205330107 /nfs/dbraw/zinc/33/01/07/1205330107.db2.gz AWUJZFWVXFLJNY-KBUPBQIOSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@H]2C)CC[NH+]1C ZINC001092620312 1205330110 /nfs/dbraw/zinc/33/01/10/1205330110.db2.gz AWUJZFWVXFLJNY-KBUPBQIOSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@H]2C)CC[N@@H+]1C ZINC001092620312 1205330112 /nfs/dbraw/zinc/33/01/12/1205330112.db2.gz AWUJZFWVXFLJNY-KBUPBQIOSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@H]2C)CC[N@H+]1C ZINC001092620312 1205330115 /nfs/dbraw/zinc/33/01/15/1205330115.db2.gz AWUJZFWVXFLJNY-KBUPBQIOSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676742 1205336803 /nfs/dbraw/zinc/33/68/03/1205336803.db2.gz KRKHFPKETUYGBC-OAGGEKHMSA-N 2 1 357.462 0.736 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676742 1205336806 /nfs/dbraw/zinc/33/68/06/1205336806.db2.gz KRKHFPKETUYGBC-OAGGEKHMSA-N 2 1 357.462 0.736 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538514 1224913834 /nfs/dbraw/zinc/91/38/34/1224913834.db2.gz RHVKRMZZZDIFAR-ZVQXUQNISA-N 2 1 363.550 0.493 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854306 1205935855 /nfs/dbraw/zinc/93/58/55/1205935855.db2.gz FCWYZINHQSLTSB-BFYDXBDKSA-N 2 1 360.502 0.962 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911535 1205940794 /nfs/dbraw/zinc/94/07/94/1205940794.db2.gz SUOXYSNLFXLJAR-KBAYOESNSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911535 1205940796 /nfs/dbraw/zinc/94/07/96/1205940796.db2.gz SUOXYSNLFXLJAR-KBAYOESNSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)C1 ZINC001092911535 1205940797 /nfs/dbraw/zinc/94/07/97/1205940797.db2.gz SUOXYSNLFXLJAR-KBAYOESNSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918717 1205943973 /nfs/dbraw/zinc/94/39/73/1205943973.db2.gz NCRLTQPZQZIFLP-FVQBIDKESA-N 2 1 362.474 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918407 1205944062 /nfs/dbraw/zinc/94/40/62/1205944062.db2.gz GWVOLLYWFYVHDZ-GDBMZVCRSA-N 2 1 362.474 0.871 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3C)[C@@H](O)C2)C1 ZINC001220548166 1224920647 /nfs/dbraw/zinc/92/06/47/1224920647.db2.gz ZTNLFIGWZGOASX-HIEASXQVSA-N 2 1 364.490 0.948 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3C)[C@@H](O)C2)C1 ZINC001220548166 1224920653 /nfs/dbraw/zinc/92/06/53/1224920653.db2.gz ZTNLFIGWZGOASX-HIEASXQVSA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056903 1206003525 /nfs/dbraw/zinc/00/35/25/1206003525.db2.gz VAYVALGFEUAGEB-OLMNPRSZSA-N 2 1 358.486 0.934 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132814 1206032333 /nfs/dbraw/zinc/03/23/33/1206032333.db2.gz AKHQCZWNUOZVJZ-HZPDHXFCSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195346 1206052420 /nfs/dbraw/zinc/05/24/20/1206052420.db2.gz NOHFJWDXPMVGIH-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195346 1206052426 /nfs/dbraw/zinc/05/24/26/1206052426.db2.gz NOHFJWDXPMVGIH-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195346 1206052430 /nfs/dbraw/zinc/05/24/30/1206052430.db2.gz NOHFJWDXPMVGIH-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212272 1206054706 /nfs/dbraw/zinc/05/47/06/1206054706.db2.gz LQMQTYFEVMEFGB-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212272 1206054711 /nfs/dbraw/zinc/05/47/11/1206054711.db2.gz LQMQTYFEVMEFGB-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093212272 1206054714 /nfs/dbraw/zinc/05/47/14/1206054714.db2.gz LQMQTYFEVMEFGB-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093212272 1206054719 /nfs/dbraw/zinc/05/47/19/1206054719.db2.gz LQMQTYFEVMEFGB-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212671 1206060779 /nfs/dbraw/zinc/06/07/79/1206060779.db2.gz OVUCGTQHZLZZEA-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212671 1206060781 /nfs/dbraw/zinc/06/07/81/1206060781.db2.gz OVUCGTQHZLZZEA-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212671 1206060784 /nfs/dbraw/zinc/06/07/84/1206060784.db2.gz OVUCGTQHZLZZEA-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001093212671 1206060786 /nfs/dbraw/zinc/06/07/86/1206060786.db2.gz OVUCGTQHZLZZEA-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224897 1206062759 /nfs/dbraw/zinc/06/27/59/1206062759.db2.gz GAIFLPPVCPXJQX-KYJSFNMBSA-N 2 1 358.486 0.934 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001093281166 1206071613 /nfs/dbraw/zinc/07/16/13/1206071613.db2.gz ONFQQPKEZPVZTN-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465516 1206084675 /nfs/dbraw/zinc/08/46/75/1206084675.db2.gz KBRDIMVBKJQLEJ-ZTRFORPCSA-N 2 1 367.534 0.677 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817052 1206134671 /nfs/dbraw/zinc/13/46/71/1206134671.db2.gz YTJYKMDCPHLQQS-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2noc(CCOC)n2)[C@H](C)C1)[NH+](C)C ZINC001093857496 1206135286 /nfs/dbraw/zinc/13/52/86/1206135286.db2.gz IGCODFCCABSFHH-RBSFLKMASA-N 2 1 367.494 0.783 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857813 1206135429 /nfs/dbraw/zinc/13/54/29/1206135429.db2.gz ZZJRPNHTMYEVKM-GZOSKZMVSA-N 2 1 361.490 0.688 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857813 1206135431 /nfs/dbraw/zinc/13/54/31/1206135431.db2.gz ZZJRPNHTMYEVKM-GZOSKZMVSA-N 2 1 361.490 0.688 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)[C@H](C)C1)[NH+](C)C ZINC001093857770 1206135452 /nfs/dbraw/zinc/13/54/52/1206135452.db2.gz XEMMGGLTPPSENN-RBSFLKMASA-N 2 1 365.526 0.952 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001093920964 1206149910 /nfs/dbraw/zinc/14/99/10/1206149910.db2.gz DJBDDSLHYALSOA-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093920185 1206150107 /nfs/dbraw/zinc/15/01/07/1206150107.db2.gz VRZKAQLTGYHTOZ-TZMCWYRMSA-N 2 1 354.418 0.356 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001093987705 1206164898 /nfs/dbraw/zinc/16/48/98/1206164898.db2.gz VAMYFEKJFFNKNH-OWCLPIDISA-N 2 1 363.510 0.516 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)n1C ZINC001094042374 1206174240 /nfs/dbraw/zinc/17/42/40/1206174240.db2.gz STFDPXZXGAEFBG-ARFHVFGLSA-N 2 1 362.522 0.903 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094044020 1206175242 /nfs/dbraw/zinc/17/52/42/1206175242.db2.gz IZPBCJJVSNPEPI-ZIAGYGMSSA-N 2 1 364.494 0.024 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001094081521 1206181416 /nfs/dbraw/zinc/18/14/16/1206181416.db2.gz XTJJCFFRGZOROI-ZIAGYGMSSA-N 2 1 360.466 0.414 20 0 FCADMP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001094220856 1206203231 /nfs/dbraw/zinc/20/32/31/1206203231.db2.gz ZLXXLNNWNYPKMZ-QLFBSQMISA-N 2 1 365.478 0.394 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001094221843 1206203654 /nfs/dbraw/zinc/20/36/54/1206203654.db2.gz YJGUXNLLCOYWGL-DJIMGWMZSA-N 2 1 361.490 0.792 20 0 FCADMP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001094221476 1206203940 /nfs/dbraw/zinc/20/39/40/1206203940.db2.gz KTRWGBSZPRCQCE-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1C ZINC001094221561 1206204040 /nfs/dbraw/zinc/20/40/40/1206204040.db2.gz RVPDZWMIFLAXSV-UKRRQHHQSA-N 2 1 359.478 0.767 20 0 FCADMP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001094221260 1206204051 /nfs/dbraw/zinc/20/40/51/1206204051.db2.gz ARCGIAJLGKYGPI-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+]([C@H](C)COC)C3)nn2)CC[N@@H+]1C ZINC001094293295 1206215491 /nfs/dbraw/zinc/21/54/91/1206215491.db2.gz IUSCIDODMPXSLZ-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+]([C@H](C)COC)C3)nn2)CC[N@H+]1C ZINC001094293295 1206215494 /nfs/dbraw/zinc/21/54/94/1206215494.db2.gz IUSCIDODMPXSLZ-XOKHGSTOSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299899 1206215691 /nfs/dbraw/zinc/21/56/91/1206215691.db2.gz STELXSNVAPMLRL-JJRVBVJISA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@H](C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299899 1206215693 /nfs/dbraw/zinc/21/56/93/1206215693.db2.gz STELXSNVAPMLRL-JJRVBVJISA-N 2 1 364.494 0.516 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385093 1206222689 /nfs/dbraw/zinc/22/26/89/1206222689.db2.gz ZLAGZYBEXDTLHG-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385093 1206222691 /nfs/dbraw/zinc/22/26/91/1206222691.db2.gz ZLAGZYBEXDTLHG-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@H+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385093 1206222695 /nfs/dbraw/zinc/22/26/95/1206222695.db2.gz ZLAGZYBEXDTLHG-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)cn1 ZINC001094385093 1206222697 /nfs/dbraw/zinc/22/26/97/1206222697.db2.gz ZLAGZYBEXDTLHG-ZHALLVOQSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1ncnc1C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560651 1206238257 /nfs/dbraw/zinc/23/82/57/1206238257.db2.gz WAHOFYFQESVAEU-CRAIPNDOSA-N 2 1 358.490 0.772 20 0 FCADMP Cn1ncnc1C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560651 1206238259 /nfs/dbraw/zinc/23/82/59/1206238259.db2.gz WAHOFYFQESVAEU-CRAIPNDOSA-N 2 1 358.490 0.772 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001094583311 1206241003 /nfs/dbraw/zinc/24/10/03/1206241003.db2.gz PXHMLBMVFDQUBP-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001094583311 1206241007 /nfs/dbraw/zinc/24/10/07/1206241007.db2.gz PXHMLBMVFDQUBP-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)C1 ZINC001094583311 1206241012 /nfs/dbraw/zinc/24/10/12/1206241012.db2.gz PXHMLBMVFDQUBP-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)C1 ZINC001094583311 1206241015 /nfs/dbraw/zinc/24/10/15/1206241015.db2.gz PXHMLBMVFDQUBP-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCC4CC4)C3)C2)CC[N@H+]1C ZINC001094741099 1206245550 /nfs/dbraw/zinc/24/55/50/1206245550.db2.gz YEOHQZPNVYTLAR-RYQLBKOJSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2=O)C1 ZINC001094791052 1206248615 /nfs/dbraw/zinc/24/86/15/1206248615.db2.gz XUPMVBDBVGHMDH-UHOSZYNNSA-N 2 1 370.497 0.753 20 0 FCADMP CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2=O)C1 ZINC001094791052 1206248617 /nfs/dbraw/zinc/24/86/17/1206248617.db2.gz XUPMVBDBVGHMDH-UHOSZYNNSA-N 2 1 370.497 0.753 20 0 FCADMP c1cc(-c2noc(C3=NO[C@H]4C[NH2+]C[C@H]34)n2)ccc1C[NH+]1CCOCC1 ZINC001212628349 1206252125 /nfs/dbraw/zinc/25/21/25/1206252125.db2.gz ANNVXGZURMXQEH-GJZGRUSLSA-N 2 1 355.398 0.891 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173575723 1206282161 /nfs/dbraw/zinc/28/21/61/1206282161.db2.gz FZZCVIYKGQLTPK-ZOFXXKQRSA-N 2 1 367.490 0.437 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178521808 1206358686 /nfs/dbraw/zinc/35/86/86/1206358686.db2.gz FHUSRBKRZYHEDY-RRFJBIMHSA-N 2 1 369.510 0.437 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCNC(=O)C2CC2)O1 ZINC001178811046 1206365613 /nfs/dbraw/zinc/36/56/13/1206365613.db2.gz PAPALJIUVLLFHH-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCNC(=O)C2CC2)O1 ZINC001178811046 1206365616 /nfs/dbraw/zinc/36/56/16/1206365616.db2.gz PAPALJIUVLLFHH-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001178948473 1206368493 /nfs/dbraw/zinc/36/84/93/1206368493.db2.gz LCJAFJGZJUNLQT-OALUTQOASA-N 2 1 373.501 0.131 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001178948473 1206368496 /nfs/dbraw/zinc/36/84/96/1206368496.db2.gz LCJAFJGZJUNLQT-OALUTQOASA-N 2 1 373.501 0.131 20 0 FCADMP CC(C)N1CCN(CC(=O)N2CCc3onc(Cn4ccnc4)c3C2)CC1 ZINC001180345688 1206393094 /nfs/dbraw/zinc/39/30/94/1206393094.db2.gz SJMLDHYNHNTZBB-UHFFFAOYSA-N 2 1 372.473 0.830 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220583365 1224950412 /nfs/dbraw/zinc/95/04/12/1224950412.db2.gz VYJAGASHCIQNFF-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684565 1206442132 /nfs/dbraw/zinc/44/21/32/1206442132.db2.gz RHWJLXSBRXISJS-RBSFLKMASA-N 2 1 362.478 0.496 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001185252190 1206477401 /nfs/dbraw/zinc/47/74/01/1206477401.db2.gz RUFWPHORLNPPHQ-MRXNPFEDSA-N 2 1 357.458 0.089 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001185252190 1206477403 /nfs/dbraw/zinc/47/74/03/1206477403.db2.gz RUFWPHORLNPPHQ-MRXNPFEDSA-N 2 1 357.458 0.089 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)C1 ZINC001186353124 1206495708 /nfs/dbraw/zinc/49/57/08/1206495708.db2.gz AFVDCIQTPNMMBT-HNNXBMFYSA-N 2 1 370.457 0.562 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001186353629 1206495906 /nfs/dbraw/zinc/49/59/06/1206495906.db2.gz LKHXQYVTSPZLNZ-LUKYLMHMSA-N 2 1 359.474 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH2+]CCCO)C3(C2)CCOCC3)CC[N@H+]1C ZINC001186381772 1206496773 /nfs/dbraw/zinc/49/67/73/1206496773.db2.gz MFDBSEZCOWKBGO-OKZBNKHCSA-N 2 1 367.534 0.944 20 0 FCADMP C[NH+]1CCN(c2ccccc2C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001186905992 1206510272 /nfs/dbraw/zinc/51/02/72/1206510272.db2.gz TXPFZEWNFYFYPI-UHFFFAOYSA-N 2 1 359.518 0.806 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220643212 1224981993 /nfs/dbraw/zinc/98/19/93/1224981993.db2.gz VNXQVYQOBLEVAJ-JQHSSLGASA-N 2 1 369.506 0.075 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001187945245 1207404240 /nfs/dbraw/zinc/40/42/40/1207404240.db2.gz UKMVBYQYRNUPNM-OKZBNKHCSA-N 2 1 360.502 0.387 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001187945245 1207404246 /nfs/dbraw/zinc/40/42/46/1207404246.db2.gz UKMVBYQYRNUPNM-OKZBNKHCSA-N 2 1 360.502 0.387 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCc4ccco4)C[C@H]32)CC[N@H+]1C ZINC001187958457 1207405319 /nfs/dbraw/zinc/40/53/19/1207405319.db2.gz YGOCSMLVPNXODY-CYGHRXIMSA-N 2 1 374.485 0.769 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246905 1207434075 /nfs/dbraw/zinc/43/40/75/1207434075.db2.gz PGAKHXFHKQWXKH-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246905 1207434079 /nfs/dbraw/zinc/43/40/79/1207434079.db2.gz PGAKHXFHKQWXKH-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246905 1207434081 /nfs/dbraw/zinc/43/40/81/1207434081.db2.gz PGAKHXFHKQWXKH-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188246905 1207434084 /nfs/dbraw/zinc/43/40/84/1207434084.db2.gz PGAKHXFHKQWXKH-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001188388462 1207448773 /nfs/dbraw/zinc/44/87/73/1207448773.db2.gz POAXBHCUROUUSQ-ZMSDIMECSA-N 2 1 359.474 0.457 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001188985662 1207494217 /nfs/dbraw/zinc/49/42/17/1207494217.db2.gz PVCCMLDCFGIKBR-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCO1 ZINC001188985662 1207494224 /nfs/dbraw/zinc/49/42/24/1207494224.db2.gz PVCCMLDCFGIKBR-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182147 1207515390 /nfs/dbraw/zinc/51/53/90/1207515390.db2.gz QFZFSAOUNHQHST-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182147 1207515392 /nfs/dbraw/zinc/51/53/92/1207515392.db2.gz QFZFSAOUNHQHST-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433301 1207549963 /nfs/dbraw/zinc/54/99/63/1207549963.db2.gz MVNJLZSBJXROSC-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433301 1207549970 /nfs/dbraw/zinc/54/99/70/1207549970.db2.gz MVNJLZSBJXROSC-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189433301 1207549980 /nfs/dbraw/zinc/54/99/80/1207549980.db2.gz MVNJLZSBJXROSC-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732579 1207595556 /nfs/dbraw/zinc/59/55/56/1207595556.db2.gz NLCLEYYMNTYSPE-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732579 1207595560 /nfs/dbraw/zinc/59/55/60/1207595560.db2.gz NLCLEYYMNTYSPE-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP COc1ccnc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c1 ZINC001189794513 1207601930 /nfs/dbraw/zinc/60/19/30/1207601930.db2.gz SBMAHAZGPWVIQO-MAUKXSAKSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ccnc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c1 ZINC001189794513 1207601939 /nfs/dbraw/zinc/60/19/39/1207601939.db2.gz SBMAHAZGPWVIQO-MAUKXSAKSA-N 2 1 362.474 0.701 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820199 1207606386 /nfs/dbraw/zinc/60/63/86/1207606386.db2.gz VVNFATPQXRHLHK-OKZBNKHCSA-N 2 1 371.522 0.131 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871023 1207613718 /nfs/dbraw/zinc/61/37/18/1207613718.db2.gz IDYLZHTUUAVZHA-ZWKOTPCHSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189913711 1207619547 /nfs/dbraw/zinc/61/95/47/1207619547.db2.gz XGVNKZRWLRBHSJ-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189913711 1207619552 /nfs/dbraw/zinc/61/95/52/1207619552.db2.gz XGVNKZRWLRBHSJ-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189913711 1207619558 /nfs/dbraw/zinc/61/95/58/1207619558.db2.gz XGVNKZRWLRBHSJ-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)CC3)C2 ZINC001273589818 1207621952 /nfs/dbraw/zinc/62/19/52/1207621952.db2.gz RJSDXPARRFCHQY-LJQANCHMSA-N 2 1 362.518 0.875 20 0 FCADMP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444897 1207833479 /nfs/dbraw/zinc/83/34/79/1207833479.db2.gz IYLKKBYYWLRYPP-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444897 1207833480 /nfs/dbraw/zinc/83/34/80/1207833480.db2.gz IYLKKBYYWLRYPP-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444897 1207833481 /nfs/dbraw/zinc/83/34/81/1207833481.db2.gz IYLKKBYYWLRYPP-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192444897 1207833482 /nfs/dbraw/zinc/83/34/82/1207833482.db2.gz IYLKKBYYWLRYPP-KURKYZTESA-N 2 1 358.486 0.611 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001193446954 1207873227 /nfs/dbraw/zinc/87/32/27/1207873227.db2.gz FEHJGDWAXZSRGY-RBSFLKMASA-N 2 1 371.457 0.152 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001193446954 1207873229 /nfs/dbraw/zinc/87/32/29/1207873229.db2.gz FEHJGDWAXZSRGY-RBSFLKMASA-N 2 1 371.457 0.152 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193782480 1207888889 /nfs/dbraw/zinc/88/88/89/1207888889.db2.gz ZUXLJUPRXYYHSG-GUDVDZBRSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193782480 1207888892 /nfs/dbraw/zinc/88/88/92/1207888892.db2.gz ZUXLJUPRXYYHSG-GUDVDZBRSA-N 2 1 361.486 0.835 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193756524 1207890295 /nfs/dbraw/zinc/89/02/95/1207890295.db2.gz SOVUCZFGOGBWOC-BHIYHBOVSA-N 2 1 360.502 0.754 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193756524 1207890297 /nfs/dbraw/zinc/89/02/97/1207890297.db2.gz SOVUCZFGOGBWOC-BHIYHBOVSA-N 2 1 360.502 0.754 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828482 1207892693 /nfs/dbraw/zinc/89/26/93/1207892693.db2.gz QVOFRJYIMKESDH-RCCFBDPRSA-N 2 1 369.506 0.218 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828482 1207892694 /nfs/dbraw/zinc/89/26/94/1207892694.db2.gz QVOFRJYIMKESDH-RCCFBDPRSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828482 1207892696 /nfs/dbraw/zinc/89/26/96/1207892696.db2.gz QVOFRJYIMKESDH-RCCFBDPRSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O)C1CCC1 ZINC001193828482 1207892697 /nfs/dbraw/zinc/89/26/97/1207892697.db2.gz QVOFRJYIMKESDH-RCCFBDPRSA-N 2 1 369.506 0.218 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC2(CN(C(=O)C[N@H+](C)CC)C2)O1 ZINC001273666965 1207896347 /nfs/dbraw/zinc/89/63/47/1207896347.db2.gz XYXUCEZVJAWERO-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194604022 1207964904 /nfs/dbraw/zinc/96/49/04/1207964904.db2.gz PCGUYRYBJMXJRZ-KBRIMQKVSA-N 2 1 359.430 0.203 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001194982877 1207986441 /nfs/dbraw/zinc/98/64/41/1207986441.db2.gz TXNCMYITAJQWSR-GUDVDZBRSA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001194982877 1207986444 /nfs/dbraw/zinc/98/64/44/1207986444.db2.gz TXNCMYITAJQWSR-GUDVDZBRSA-N 2 1 365.518 0.839 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728287 1225038383 /nfs/dbraw/zinc/03/83/83/1225038383.db2.gz FZQMHRMGSSYDFW-MOPGFXCFSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728287 1225038391 /nfs/dbraw/zinc/03/83/91/1225038391.db2.gz FZQMHRMGSSYDFW-MOPGFXCFSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268326 1208069471 /nfs/dbraw/zinc/06/94/71/1208069471.db2.gz GBIHFNXLUCWQIL-IXDOHACOSA-N 2 1 368.522 0.495 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268326 1208069473 /nfs/dbraw/zinc/06/94/73/1208069473.db2.gz GBIHFNXLUCWQIL-IXDOHACOSA-N 2 1 368.522 0.495 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001196926564 1208118753 /nfs/dbraw/zinc/11/87/53/1208118753.db2.gz ZEWMMNGAEWLOMD-RCCFBDPRSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001196926564 1208118759 /nfs/dbraw/zinc/11/87/59/1208118759.db2.gz ZEWMMNGAEWLOMD-RCCFBDPRSA-N 2 1 364.490 0.950 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@H]1O ZINC001197000827 1208127608 /nfs/dbraw/zinc/12/76/08/1208127608.db2.gz LWDJPFMWMOUDED-IAGOWNOFSA-N 2 1 370.538 0.528 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000268 1208127785 /nfs/dbraw/zinc/12/77/85/1208127785.db2.gz ASLXUZQLJQXGGT-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000268 1208127788 /nfs/dbraw/zinc/12/77/88/1208127788.db2.gz ASLXUZQLJQXGGT-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000268 1208127792 /nfs/dbraw/zinc/12/77/92/1208127792.db2.gz ASLXUZQLJQXGGT-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001197000268 1208127798 /nfs/dbraw/zinc/12/77/98/1208127798.db2.gz ASLXUZQLJQXGGT-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CCCN(Cc2cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2)CC1 ZINC001197508450 1208169123 /nfs/dbraw/zinc/16/91/23/1208169123.db2.gz DPNWXIOUYBGACG-UHFFFAOYSA-N 3 1 360.506 0.899 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493269 1208171607 /nfs/dbraw/zinc/17/16/07/1208171607.db2.gz IBYRTVJSXUWKFD-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493269 1208171608 /nfs/dbraw/zinc/17/16/08/1208171608.db2.gz IBYRTVJSXUWKFD-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493269 1208171609 /nfs/dbraw/zinc/17/16/09/1208171609.db2.gz IBYRTVJSXUWKFD-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1O ZINC001197493269 1208171610 /nfs/dbraw/zinc/17/16/10/1208171610.db2.gz IBYRTVJSXUWKFD-FGTMMUONSA-N 2 1 365.474 0.232 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1O ZINC001197826341 1208201474 /nfs/dbraw/zinc/20/14/74/1208201474.db2.gz SWMLUQPJVWSTIY-FGTMMUONSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1O ZINC001197826341 1208201475 /nfs/dbraw/zinc/20/14/75/1208201475.db2.gz SWMLUQPJVWSTIY-FGTMMUONSA-N 2 1 365.449 0.553 20 0 FCADMP CCCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826476 1208201764 /nfs/dbraw/zinc/20/17/64/1208201764.db2.gz YQNCFNZZVARZQD-RTBURBONSA-N 2 1 363.502 0.879 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1O ZINC001197826419 1208201931 /nfs/dbraw/zinc/20/19/31/1208201931.db2.gz WOANDWFAMYNCLN-KZNAEPCWSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1O ZINC001197826419 1208201932 /nfs/dbraw/zinc/20/19/32/1208201932.db2.gz WOANDWFAMYNCLN-KZNAEPCWSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001197949389 1208208357 /nfs/dbraw/zinc/20/83/57/1208208357.db2.gz RAMJDVMARNFYQZ-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197997259 1208212364 /nfs/dbraw/zinc/21/23/64/1208212364.db2.gz WGDSXDWHROFKIW-IAGOWNOFSA-N 2 1 362.474 0.179 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197997259 1208212367 /nfs/dbraw/zinc/21/23/67/1208212367.db2.gz WGDSXDWHROFKIW-IAGOWNOFSA-N 2 1 362.474 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197997259 1208212368 /nfs/dbraw/zinc/21/23/68/1208212368.db2.gz WGDSXDWHROFKIW-IAGOWNOFSA-N 2 1 362.474 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001197997259 1208212370 /nfs/dbraw/zinc/21/23/70/1208212370.db2.gz WGDSXDWHROFKIW-IAGOWNOFSA-N 2 1 362.474 0.179 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3nonc3c2)C[C@H]1O ZINC001198030344 1208215536 /nfs/dbraw/zinc/21/55/36/1208215536.db2.gz YHAGESJTRJPQEU-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001198030344 1208215538 /nfs/dbraw/zinc/21/55/38/1208215538.db2.gz YHAGESJTRJPQEU-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001198030344 1208215541 /nfs/dbraw/zinc/21/55/41/1208215541.db2.gz YHAGESJTRJPQEU-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001198030344 1208215544 /nfs/dbraw/zinc/21/55/44/1208215544.db2.gz YHAGESJTRJPQEU-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001198030344 1208215546 /nfs/dbraw/zinc/21/55/46/1208215546.db2.gz YHAGESJTRJPQEU-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029666 1208215565 /nfs/dbraw/zinc/21/55/65/1208215565.db2.gz UTUSNFVOLAEMEX-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029666 1208215566 /nfs/dbraw/zinc/21/55/66/1208215566.db2.gz UTUSNFVOLAEMEX-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029666 1208215569 /nfs/dbraw/zinc/21/55/69/1208215569.db2.gz UTUSNFVOLAEMEX-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001198029666 1208215573 /nfs/dbraw/zinc/21/55/73/1208215573.db2.gz UTUSNFVOLAEMEX-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP Cn1cncc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001198285015 1208234057 /nfs/dbraw/zinc/23/40/57/1208234057.db2.gz BCMBLNSCASKZJP-RTBURBONSA-N 2 1 370.453 0.744 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001198671638 1208281582 /nfs/dbraw/zinc/28/15/82/1208281582.db2.gz IEVFHCMIZJWFBA-QZTJIDSGSA-N 2 1 358.442 0.822 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001198671638 1208281585 /nfs/dbraw/zinc/28/15/85/1208281585.db2.gz IEVFHCMIZJWFBA-QZTJIDSGSA-N 2 1 358.442 0.822 20 0 FCADMP CN(CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O)Cc1ccccc1 ZINC001199384322 1208344575 /nfs/dbraw/zinc/34/45/75/1208344575.db2.gz HBSRWDVOHMFTHR-QZTJIDSGSA-N 2 1 357.458 0.176 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(N2CCCNC2=O)ncn1 ZINC001199427279 1208347437 /nfs/dbraw/zinc/34/74/37/1208347437.db2.gz GCYVMGNIGORLHT-UHFFFAOYSA-N 2 1 362.438 0.074 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201240840 1208450132 /nfs/dbraw/zinc/45/01/32/1208450132.db2.gz ZWDPSTUDRSJDGP-HLLBOEOZSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201240840 1208450134 /nfs/dbraw/zinc/45/01/34/1208450134.db2.gz ZWDPSTUDRSJDGP-HLLBOEOZSA-N 2 1 368.522 0.541 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C ZINC001488409084 1208509277 /nfs/dbraw/zinc/50/92/77/1208509277.db2.gz JHFGOEQFRACRGA-BZUAXINKSA-N 2 1 370.538 0.240 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001488409084 1208509286 /nfs/dbraw/zinc/50/92/86/1208509286.db2.gz JHFGOEQFRACRGA-BZUAXINKSA-N 2 1 370.538 0.240 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001488409084 1208509289 /nfs/dbraw/zinc/50/92/89/1208509289.db2.gz JHFGOEQFRACRGA-BZUAXINKSA-N 2 1 370.538 0.240 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220798844 1225080458 /nfs/dbraw/zinc/08/04/58/1225080458.db2.gz ITCVKVVCWYVCSR-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220798844 1225080465 /nfs/dbraw/zinc/08/04/65/1225080465.db2.gz ITCVKVVCWYVCSR-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817042 1225087614 /nfs/dbraw/zinc/08/76/14/1225087614.db2.gz LTTQESGGMVPNDG-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817042 1225087624 /nfs/dbraw/zinc/08/76/24/1225087624.db2.gz LTTQESGGMVPNDG-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817042 1225087635 /nfs/dbraw/zinc/08/76/35/1225087635.db2.gz LTTQESGGMVPNDG-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220817042 1225087642 /nfs/dbraw/zinc/08/76/42/1225087642.db2.gz LTTQESGGMVPNDG-SQNIBIBYSA-N 2 1 367.465 0.752 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827596 1225091912 /nfs/dbraw/zinc/09/19/12/1225091912.db2.gz UPZDRGWTRNCNAW-IRXDYDNUSA-N 2 1 359.426 0.158 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C[NH2+]C1 ZINC001220827596 1225091917 /nfs/dbraw/zinc/09/19/17/1225091917.db2.gz UPZDRGWTRNCNAW-IRXDYDNUSA-N 2 1 359.426 0.158 20 0 FCADMP [NH3+][C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872059 1225118793 /nfs/dbraw/zinc/11/87/93/1225118793.db2.gz INRLOBANUHNIRD-IBGZPJMESA-N 2 1 366.465 0.771 20 0 FCADMP Cn1cncc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001220881612 1225120975 /nfs/dbraw/zinc/12/09/75/1225120975.db2.gz BCMBLNSCASKZJP-MOPGFXCFSA-N 2 1 370.453 0.744 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@]3(N)CCC[NH2+]C3)CC2)c1 ZINC001220911039 1225136031 /nfs/dbraw/zinc/13/60/31/1225136031.db2.gz DEFFGDVHFYXKJK-IBGZPJMESA-N 2 1 364.465 0.996 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000852749367 1209562544 /nfs/dbraw/zinc/56/25/44/1209562544.db2.gz LIUIULDLRUREOP-BBWFWOEESA-N 2 1 366.506 0.997 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000852921353 1209577809 /nfs/dbraw/zinc/57/78/09/1209577809.db2.gz HURCRMITEROMHQ-RTBURBONSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853339161 1209590082 /nfs/dbraw/zinc/59/00/82/1209590082.db2.gz ITGKHOORSUBJIH-LJQANCHMSA-N 2 1 359.474 0.635 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1 ZINC001110666316 1209593122 /nfs/dbraw/zinc/59/31/22/1209593122.db2.gz HFIKMDJLXTXUMY-BDXSIMOUSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1 ZINC001110666316 1209593124 /nfs/dbraw/zinc/59/31/24/1209593124.db2.gz HFIKMDJLXTXUMY-BDXSIMOUSA-N 2 1 360.506 0.957 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110714709 1209734125 /nfs/dbraw/zinc/73/41/25/1209734125.db2.gz CNZQZZSSNKZQLU-ZACQAIPSSA-N 2 1 369.506 0.075 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746249 1209789219 /nfs/dbraw/zinc/78/92/19/1209789219.db2.gz BXCWYULNJBLUQI-TVFCKZIOSA-N 2 1 362.474 0.637 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220977708 1225169522 /nfs/dbraw/zinc/16/95/22/1225169522.db2.gz AEQKUGAEIPMMDH-OTWHNJEPSA-N 2 1 361.486 0.237 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220977708 1225169526 /nfs/dbraw/zinc/16/95/26/1225169526.db2.gz AEQKUGAEIPMMDH-OTWHNJEPSA-N 2 1 361.486 0.237 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986100 1225174946 /nfs/dbraw/zinc/17/49/46/1225174946.db2.gz SCCFKHDAFDUSEW-QRQLOZEOSA-N 2 1 361.486 0.625 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCC1CCCCC1 ZINC000866710916 1210003632 /nfs/dbraw/zinc/00/36/32/1210003632.db2.gz XORIDVMIHOGVAE-BBWFWOEESA-N 2 1 364.490 0.940 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCC1CCCCC1 ZINC000866710916 1210003636 /nfs/dbraw/zinc/00/36/36/1210003636.db2.gz XORIDVMIHOGVAE-BBWFWOEESA-N 2 1 364.490 0.940 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(CCc2cnccn2)CC1 ZINC000868218091 1210044269 /nfs/dbraw/zinc/04/42/69/1210044269.db2.gz ZKGKYQOSIXCNFY-ZWKOTPCHSA-N 2 1 374.489 0.210 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000868453499 1210066173 /nfs/dbraw/zinc/06/61/73/1210066173.db2.gz VMJPFRVQVAXBRS-OEXSFMSHSA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000868453499 1210066180 /nfs/dbraw/zinc/06/61/80/1210066180.db2.gz VMJPFRVQVAXBRS-OEXSFMSHSA-N 2 1 366.481 0.145 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000868453499 1210066182 /nfs/dbraw/zinc/06/61/82/1210066182.db2.gz VMJPFRVQVAXBRS-OEXSFMSHSA-N 2 1 366.481 0.145 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221010184 1225184813 /nfs/dbraw/zinc/18/48/13/1225184813.db2.gz AXTRPZMCCCCBCQ-ZWKOTPCHSA-N 2 1 372.513 0.734 20 0 FCADMP O=C(CC[NH2+]CC1CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000870876974 1210121165 /nfs/dbraw/zinc/12/11/65/1210121165.db2.gz WTNSAYCAYDJQGK-UHFFFAOYSA-N 2 1 358.486 0.837 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000871463557 1210156918 /nfs/dbraw/zinc/15/69/18/1210156918.db2.gz IIHJZTFVFUGVLT-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000871463557 1210156929 /nfs/dbraw/zinc/15/69/29/1210156929.db2.gz IIHJZTFVFUGVLT-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC000871463557 1210156937 /nfs/dbraw/zinc/15/69/37/1210156937.db2.gz IIHJZTFVFUGVLT-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000871464490 1210157520 /nfs/dbraw/zinc/15/75/20/1210157520.db2.gz OBMYOLFLUPCEGE-NQNKBUKLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)CC[NH+]1C ZINC000871464490 1210157522 /nfs/dbraw/zinc/15/75/22/1210157522.db2.gz OBMYOLFLUPCEGE-NQNKBUKLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)CC[NH+]1C ZINC000871464490 1210157524 /nfs/dbraw/zinc/15/75/24/1210157524.db2.gz OBMYOLFLUPCEGE-NQNKBUKLSA-N 2 1 366.506 0.010 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C(=O)OC(C)(C)C ZINC001276818514 1225193023 /nfs/dbraw/zinc/19/30/23/1225193023.db2.gz OEZJFVAFXXSRJR-KXBFYZLASA-N 2 1 369.506 0.708 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000876881307 1210432527 /nfs/dbraw/zinc/43/25/27/1210432527.db2.gz XIBQNEGISYXLIO-QGZVFWFLSA-N 2 1 362.522 0.826 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001221077530 1225212763 /nfs/dbraw/zinc/21/27/63/1225212763.db2.gz NLPKJPBHUOMGHT-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001221077530 1225212769 /nfs/dbraw/zinc/21/27/69/1225212769.db2.gz NLPKJPBHUOMGHT-MOPGFXCFSA-N 2 1 361.486 0.950 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089665 1225216077 /nfs/dbraw/zinc/21/60/77/1225216077.db2.gz LLKFORBJACJEEY-KURKYZTESA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089665 1225216084 /nfs/dbraw/zinc/21/60/84/1225216084.db2.gz LLKFORBJACJEEY-KURKYZTESA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001221089665 1225216088 /nfs/dbraw/zinc/21/60/88/1225216088.db2.gz LLKFORBJACJEEY-KURKYZTESA-N 2 1 367.465 0.231 20 0 FCADMP COc1cccc(C2(NC(=O)[C@@H]3C[NH2+]Cc4ccnn43)CC[NH2+]CC2)c1 ZINC001221094570 1225219991 /nfs/dbraw/zinc/21/99/91/1225219991.db2.gz ZJKNACXQAPCAIM-KRWDZBQOSA-N 2 1 355.442 0.931 20 0 FCADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000888887437 1210593938 /nfs/dbraw/zinc/59/39/38/1210593938.db2.gz NXIFIGLLYXXQKV-HOTGVXAUSA-N 2 1 369.510 0.249 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882631391 1210630194 /nfs/dbraw/zinc/63/01/94/1210630194.db2.gz JPUSJPXRQHZCFQ-GOSISDBHSA-N 2 1 363.506 0.885 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882631391 1210630197 /nfs/dbraw/zinc/63/01/97/1210630197.db2.gz JPUSJPXRQHZCFQ-GOSISDBHSA-N 2 1 363.506 0.885 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000882636183 1210632763 /nfs/dbraw/zinc/63/27/63/1210632763.db2.gz PFNCVBCIOYKJBO-SFHVURJKSA-N 2 1 364.534 0.774 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001221121775 1225228981 /nfs/dbraw/zinc/22/89/81/1225228981.db2.gz RDBMONQKBKRLLM-KRWDZBQOSA-N 3 1 373.501 0.229 20 0 FCADMP CN1C[C@@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001221121775 1225228990 /nfs/dbraw/zinc/22/89/90/1225228990.db2.gz RDBMONQKBKRLLM-KRWDZBQOSA-N 2 1 373.501 0.229 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000883604052 1210673164 /nfs/dbraw/zinc/67/31/64/1210673164.db2.gz LHAVKOHAQMGCIT-QGZVFWFLSA-N 2 1 357.458 0.341 20 0 FCADMP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883605489 1210673761 /nfs/dbraw/zinc/67/37/61/1210673761.db2.gz VMISLHJYILCZCY-MRXNPFEDSA-N 2 1 359.474 0.763 20 0 FCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883608726 1210674508 /nfs/dbraw/zinc/67/45/08/1210674508.db2.gz GEAQCPJIKIUBIV-GRDNDAEWSA-N 2 1 359.474 0.761 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883607138 1210674522 /nfs/dbraw/zinc/67/45/22/1210674522.db2.gz MDIPDGXYDBQWAO-QGZVFWFLSA-N 2 1 357.458 0.245 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006345152 1210696117 /nfs/dbraw/zinc/69/61/17/1210696117.db2.gz VKTJSBHRELXNGC-CKEIUWERSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006345152 1210696119 /nfs/dbraw/zinc/69/61/19/1210696119.db2.gz VKTJSBHRELXNGC-CKEIUWERSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884180248 1210719554 /nfs/dbraw/zinc/71/95/54/1210719554.db2.gz RAOBZYZJQUPBKU-QGZVFWFLSA-N 2 1 361.490 0.578 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000884211432 1210723667 /nfs/dbraw/zinc/72/36/67/1210723667.db2.gz DHSPGBDPIJUOQY-IRXDYDNUSA-N 2 1 359.474 0.162 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000884315953 1210729890 /nfs/dbraw/zinc/72/98/90/1210729890.db2.gz FZYKALNFSXULFC-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884488744 1210738220 /nfs/dbraw/zinc/73/82/20/1210738220.db2.gz FQEWESYBJPLADR-KSZLIROESA-N 2 1 356.470 0.730 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000884496056 1210739365 /nfs/dbraw/zinc/73/93/65/1210739365.db2.gz LDSVTDWOMBSXIN-NJAFHUGGSA-N 2 1 374.485 0.342 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000884529760 1210745500 /nfs/dbraw/zinc/74/55/00/1210745500.db2.gz VRNMJHNIWQLNLI-KRWDZBQOSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884532509 1210745701 /nfs/dbraw/zinc/74/57/01/1210745701.db2.gz KUZZTMGLSFJRBR-GDAAHCPNSA-N 2 1 370.497 0.976 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000884556886 1210750317 /nfs/dbraw/zinc/75/03/17/1210750317.db2.gz BSFRAOXIRUFZFY-GASCZTMLSA-N 2 1 354.414 0.155 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000884559685 1210751000 /nfs/dbraw/zinc/75/10/00/1210751000.db2.gz BJFDCLFJLZSKSN-SQNIBIBYSA-N 2 1 374.485 0.042 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000884559706 1210751303 /nfs/dbraw/zinc/75/13/03/1210751303.db2.gz BNYSMWWRBORMJS-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000884559706 1210751312 /nfs/dbraw/zinc/75/13/12/1210751312.db2.gz BNYSMWWRBORMJS-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884560201 1210751530 /nfs/dbraw/zinc/75/15/30/1210751530.db2.gz QIUGELYEVPYTLE-QZTJIDSGSA-N 2 1 356.470 0.514 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884560201 1210751533 /nfs/dbraw/zinc/75/15/33/1210751533.db2.gz QIUGELYEVPYTLE-QZTJIDSGSA-N 2 1 356.470 0.514 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884576729 1210754237 /nfs/dbraw/zinc/75/42/37/1210754237.db2.gz OZEHFSXHYDJACI-HNNXBMFYSA-N 2 1 358.486 0.797 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884572256 1210754474 /nfs/dbraw/zinc/75/44/74/1210754474.db2.gz JOOJOUISWVLCSW-BGTYHANMSA-N 2 1 356.470 0.586 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884601560 1210759671 /nfs/dbraw/zinc/75/96/71/1210759671.db2.gz PJJOUSZPDPFABN-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000884601558 1210759702 /nfs/dbraw/zinc/75/97/02/1210759702.db2.gz PJJOUSZPDPFABN-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000884604764 1210760823 /nfs/dbraw/zinc/76/08/23/1210760823.db2.gz OHIIAUAGZYBFBT-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884604952 1210761290 /nfs/dbraw/zinc/76/12/90/1210761290.db2.gz RXVFIAXLAZBIFM-YSHGAJCASA-N 2 1 370.497 0.976 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884616700 1210763832 /nfs/dbraw/zinc/76/38/32/1210763832.db2.gz ARMIJHRPGVMNSD-MSOLQXFVSA-N 2 1 358.486 0.808 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000884650305 1210772076 /nfs/dbraw/zinc/77/20/76/1210772076.db2.gz FGLBXXKOWPEQNP-QGZVFWFLSA-N 2 1 362.474 0.626 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000884661569 1210774064 /nfs/dbraw/zinc/77/40/64/1210774064.db2.gz VEVKDMVTCMGTSO-IRXDYDNUSA-N 2 1 362.449 0.727 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000884659917 1210774331 /nfs/dbraw/zinc/77/43/31/1210774331.db2.gz HDIPOJQZALEXLB-CEXWTWQISA-N 2 1 370.497 0.976 20 0 FCADMP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884669649 1210775971 /nfs/dbraw/zinc/77/59/71/1210775971.db2.gz CDWVOKUCFJDFAN-MSOLQXFVSA-N 2 1 356.470 0.692 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884680846 1210779472 /nfs/dbraw/zinc/77/94/72/1210779472.db2.gz COQKBBVXRJPABI-QZTJIDSGSA-N 2 1 358.486 0.801 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000884808601 1210798067 /nfs/dbraw/zinc/79/80/67/1210798067.db2.gz XCJGNGMPOGPAHQ-QGZVFWFLSA-N 2 1 374.485 0.310 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)C2)cc1 ZINC000884819635 1210799337 /nfs/dbraw/zinc/79/93/37/1210799337.db2.gz HULVSQOGDWDURR-NXHRZFHOSA-N 2 1 358.486 0.942 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884839973 1210800957 /nfs/dbraw/zinc/80/09/57/1210800957.db2.gz DORYOHWGRRDMAL-HNNXBMFYSA-N 2 1 358.486 0.749 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884892818 1210803367 /nfs/dbraw/zinc/80/33/67/1210803367.db2.gz ZIBREDKIWIEUHF-ZWKOTPCHSA-N 2 1 360.502 0.911 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000884983172 1210807156 /nfs/dbraw/zinc/80/71/56/1210807156.db2.gz ODTCHCOSOMSRGD-KSZLIROESA-N 2 1 356.470 0.363 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139614 1210811876 /nfs/dbraw/zinc/81/18/76/1210811876.db2.gz KGKCLPMOEUJKCV-OAGGEKHMSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152561 1210813045 /nfs/dbraw/zinc/81/30/45/1210813045.db2.gz QYIVMXMVWZFSNF-DLBZAZTESA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064216 1210844580 /nfs/dbraw/zinc/84/45/80/1210844580.db2.gz BYENDSFNPYSWNQ-LULLPPNCSA-N 2 1 370.497 0.915 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001221158568 1225244613 /nfs/dbraw/zinc/24/46/13/1225244613.db2.gz MQANRTXNKMWEAN-SJORKVTESA-N 2 1 366.506 0.036 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001221158568 1225244618 /nfs/dbraw/zinc/24/46/18/1225244618.db2.gz MQANRTXNKMWEAN-SJORKVTESA-N 2 1 366.506 0.036 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163121 1225247696 /nfs/dbraw/zinc/24/76/96/1225247696.db2.gz SWRSOSQAKGQMPK-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163121 1225247701 /nfs/dbraw/zinc/24/77/01/1225247701.db2.gz SWRSOSQAKGQMPK-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163121 1225247706 /nfs/dbraw/zinc/24/77/06/1225247706.db2.gz SWRSOSQAKGQMPK-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163121 1225247714 /nfs/dbraw/zinc/24/77/14/1225247714.db2.gz SWRSOSQAKGQMPK-OTWHNJEPSA-N 2 1 361.486 0.706 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162980 1225247767 /nfs/dbraw/zinc/24/77/67/1225247767.db2.gz OXMDLGUHZMAVAF-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162980 1225247770 /nfs/dbraw/zinc/24/77/70/1225247770.db2.gz OXMDLGUHZMAVAF-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162980 1225247775 /nfs/dbraw/zinc/24/77/75/1225247775.db2.gz OXMDLGUHZMAVAF-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162980 1225247778 /nfs/dbraw/zinc/24/77/78/1225247778.db2.gz OXMDLGUHZMAVAF-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001274195844 1210909077 /nfs/dbraw/zinc/90/90/77/1210909077.db2.gz VZFNKUOCOJWLDJ-DOTOQJQBSA-N 2 1 362.518 0.777 20 0 FCADMP CCC1([NH+]2CCC2)CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000889433525 1210938632 /nfs/dbraw/zinc/93/86/32/1210938632.db2.gz FWIORDTUANKNCV-INIZCTEOSA-N 2 1 365.522 0.986 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889742969 1210945690 /nfs/dbraw/zinc/94/56/90/1210945690.db2.gz CHSKXOGQYZQVTR-CSODTCANSA-N 2 1 365.518 0.935 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889742971 1210946110 /nfs/dbraw/zinc/94/61/10/1210946110.db2.gz CHSKXOGQYZQVTR-WZOJCFFYSA-N 2 1 365.518 0.935 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890135021 1210968143 /nfs/dbraw/zinc/96/81/43/1210968143.db2.gz XXTZNTYKQSNERZ-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831383 1210986691 /nfs/dbraw/zinc/98/66/91/1210986691.db2.gz XPDOFFXUHTWYSH-WEXBMKDWSA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831383 1210986695 /nfs/dbraw/zinc/98/66/95/1210986695.db2.gz XPDOFFXUHTWYSH-WEXBMKDWSA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831383 1210986701 /nfs/dbraw/zinc/98/67/01/1210986701.db2.gz XPDOFFXUHTWYSH-WEXBMKDWSA-N 2 1 363.502 0.998 20 0 FCADMP C[NH+](C)CCN1CC2(C1)CCCN(C(=O)CCCN1CC[NH+](C)CC1)C2 ZINC001274514427 1211071781 /nfs/dbraw/zinc/07/17/81/1211071781.db2.gz IZXYOHINERJEOD-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccnc(N)c4)[C@@H]3C2)n(C)n1 ZINC001274945883 1211149577 /nfs/dbraw/zinc/14/95/77/1211149577.db2.gz AOZHGHQBZJZMOB-DOTOQJQBSA-N 2 1 354.458 0.981 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001275152686 1211181877 /nfs/dbraw/zinc/18/18/77/1211181877.db2.gz NVCIYVWFAXPRRU-KXBFYZLASA-N 2 1 359.474 0.903 20 0 FCADMP Cn1cncc1CN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152683 1211182182 /nfs/dbraw/zinc/18/21/82/1211182182.db2.gz NVCIYVWFAXPRRU-BEFAXECRSA-N 2 1 359.474 0.903 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001275171978 1211189065 /nfs/dbraw/zinc/18/90/65/1211189065.db2.gz QQAKHVCVANQEPW-INIZCTEOSA-N 2 1 359.474 0.067 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001275171978 1211189066 /nfs/dbraw/zinc/18/90/66/1211189066.db2.gz QQAKHVCVANQEPW-INIZCTEOSA-N 2 1 359.474 0.067 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(=O)[nH]1)C2 ZINC001275171978 1211189067 /nfs/dbraw/zinc/18/90/67/1211189067.db2.gz QQAKHVCVANQEPW-INIZCTEOSA-N 2 1 359.474 0.067 20 0 FCADMP CC[C@H](C(N)=O)N1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275448275 1211239663 /nfs/dbraw/zinc/23/96/63/1211239663.db2.gz RLLMOPWLUHWWAO-MRXNPFEDSA-N 2 1 359.474 0.963 20 0 FCADMP Cc1ncoc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275467373 1211245478 /nfs/dbraw/zinc/24/54/78/1211245478.db2.gz FJZXKIDQVSHMJO-SFHVURJKSA-N 2 1 359.430 0.931 20 0 FCADMP Cc1ncoc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001275467373 1211245483 /nfs/dbraw/zinc/24/54/83/1211245483.db2.gz FJZXKIDQVSHMJO-SFHVURJKSA-N 2 1 359.430 0.931 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507563 1211251985 /nfs/dbraw/zinc/25/19/85/1211251985.db2.gz FKPMHMHSMMGYCI-IBGZPJMESA-N 2 1 366.506 0.551 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001275512621 1211252921 /nfs/dbraw/zinc/25/29/21/1211252921.db2.gz SVCREMUFHBHEGP-BZUAXINKSA-N 2 1 369.506 0.828 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001275512621 1211252923 /nfs/dbraw/zinc/25/29/23/1211252923.db2.gz SVCREMUFHBHEGP-BZUAXINKSA-N 2 1 369.506 0.828 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556830 1211256390 /nfs/dbraw/zinc/25/63/90/1211256390.db2.gz OWHNOKWKOCJNDT-VQIMIIECSA-N 2 1 366.506 0.143 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275556401 1211256524 /nfs/dbraw/zinc/25/65/24/1211256524.db2.gz KESUOJDOBOYTKY-IBGZPJMESA-N 2 1 359.474 0.622 20 0 FCADMP CC(C)OC(=O)CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556979 1211256803 /nfs/dbraw/zinc/25/68/03/1211256803.db2.gz RFXAJACYFBPDHU-IBGZPJMESA-N 2 1 367.490 0.583 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750737 1211281087 /nfs/dbraw/zinc/28/10/87/1211281087.db2.gz PLXZNERLXDLOKD-YLJYHZDGSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)C[N@H+]2CC[C@H](O)C2)n(C)n1 ZINC001275800643 1211286311 /nfs/dbraw/zinc/28/63/11/1211286311.db2.gz GQXDJYPWKRVTJF-MMNRESRNSA-N 2 1 361.490 0.407 20 0 FCADMP COC(=O)[C@@H](C)CN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833922 1211294129 /nfs/dbraw/zinc/29/41/29/1211294129.db2.gz SINDGVZWISULBE-HNNXBMFYSA-N 2 1 367.490 0.441 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833831 1211294182 /nfs/dbraw/zinc/29/41/82/1211294182.db2.gz QZRGIWBKVWSBKV-LJQANCHMSA-N 2 1 366.506 0.158 20 0 FCADMP CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CC[NH+](CCN(C)C)CC2 ZINC001275842107 1211296174 /nfs/dbraw/zinc/29/61/74/1211296174.db2.gz HLPNIJTXAVYHAH-MRXNPFEDSA-N 2 1 368.522 0.213 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881254 1211305077 /nfs/dbraw/zinc/30/50/77/1211305077.db2.gz YKVXRCDGTUPYCQ-VQIMIIECSA-N 2 1 366.506 0.286 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881264 1211305364 /nfs/dbraw/zinc/30/53/64/1211305364.db2.gz YLNPIUJRRDDEFS-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275881264 1211305366 /nfs/dbraw/zinc/30/53/66/1211305366.db2.gz YLNPIUJRRDDEFS-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275881264 1211305370 /nfs/dbraw/zinc/30/53/70/1211305370.db2.gz YLNPIUJRRDDEFS-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP CCNC(=O)CN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275881264 1211305372 /nfs/dbraw/zinc/30/53/72/1211305372.db2.gz YLNPIUJRRDDEFS-QFBILLFUSA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879104 1211305981 /nfs/dbraw/zinc/30/59/81/1211305981.db2.gz NNGPJLLXKDHUAL-UYAOXDASSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879104 1211305994 /nfs/dbraw/zinc/30/59/94/1211305994.db2.gz NNGPJLLXKDHUAL-UYAOXDASSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(CCN(CCN4CCOCC4)C3=O)C2)C1 ZINC001275879104 1211305997 /nfs/dbraw/zinc/30/59/97/1211305997.db2.gz NNGPJLLXKDHUAL-UYAOXDASSA-N 2 1 364.534 0.585 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879272 1211306201 /nfs/dbraw/zinc/30/62/01/1211306201.db2.gz PIIOHGGFMGXPRM-LPHOPBHVSA-N 2 1 359.474 0.622 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879272 1211306205 /nfs/dbraw/zinc/30/62/05/1211306205.db2.gz PIIOHGGFMGXPRM-LPHOPBHVSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879272 1211306208 /nfs/dbraw/zinc/30/62/08/1211306208.db2.gz PIIOHGGFMGXPRM-LPHOPBHVSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879272 1211306212 /nfs/dbraw/zinc/30/62/12/1211306212.db2.gz PIIOHGGFMGXPRM-LPHOPBHVSA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3cnc4c(c3)OCCO4)C2)C1=O ZINC001275966998 1211318956 /nfs/dbraw/zinc/31/89/56/1211318956.db2.gz MGJRLINXFKDWEY-IBGZPJMESA-N 2 1 360.458 0.839 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001095419054 1211332067 /nfs/dbraw/zinc/33/20/67/1211332067.db2.gz MOCPZYKGGJKALS-BDXSIMOUSA-N 2 1 360.502 0.672 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4[nH]cnc43)C2)OCC1=O ZINC001276201324 1211380259 /nfs/dbraw/zinc/38/02/59/1211380259.db2.gz HMNWPCHOGIKELP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4nc[nH]c43)C2)OCC1=O ZINC001276201324 1211380261 /nfs/dbraw/zinc/38/02/61/1211380261.db2.gz HMNWPCHOGIKELP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4nc[nH]c43)C2)OCC1=O ZINC001276201324 1211380265 /nfs/dbraw/zinc/38/02/65/1211380265.db2.gz HMNWPCHOGIKELP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc4nccn4c3)C2)OCC1=O ZINC001276233543 1211385772 /nfs/dbraw/zinc/38/57/72/1211385772.db2.gz LKBAYCGGJXRFCS-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP CC[C@H](CCC(=O)OC)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276269713 1211400573 /nfs/dbraw/zinc/40/05/73/1211400573.db2.gz OFUCCMPXVGDGOL-VQIMIIECSA-N 2 1 369.506 0.831 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634468 1211475461 /nfs/dbraw/zinc/47/54/61/1211475461.db2.gz NZLWSBPEHCJKBL-IRXDYDNUSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634468 1211475463 /nfs/dbraw/zinc/47/54/63/1211475463.db2.gz NZLWSBPEHCJKBL-IRXDYDNUSA-N 2 1 363.506 0.561 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634467 1211475742 /nfs/dbraw/zinc/47/57/42/1211475742.db2.gz NZLWSBPEHCJKBL-IAGOWNOFSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634467 1211475744 /nfs/dbraw/zinc/47/57/44/1211475744.db2.gz NZLWSBPEHCJKBL-IAGOWNOFSA-N 2 1 363.506 0.561 20 0 FCADMP C(C[N@@H+]1CCC[C@@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768323 1211507967 /nfs/dbraw/zinc/50/79/67/1211507967.db2.gz JOUHUBZNSWRZHB-FUMNGEBKSA-N 2 1 366.550 0.530 20 0 FCADMP C(C[N@H+]1CCC[C@@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768323 1211507971 /nfs/dbraw/zinc/50/79/71/1211507971.db2.gz JOUHUBZNSWRZHB-FUMNGEBKSA-N 2 1 366.550 0.530 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926347974 1211536104 /nfs/dbraw/zinc/53/61/04/1211536104.db2.gz QFWZPQJKFVYXDX-HNNXBMFYSA-N 2 1 360.458 0.957 20 0 FCADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926357172 1211538888 /nfs/dbraw/zinc/53/88/88/1211538888.db2.gz NPPKUCMVFKSDQN-ZDUSSCGKSA-N 2 1 359.474 0.893 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]c1 ZINC000927466118 1211571941 /nfs/dbraw/zinc/57/19/41/1211571941.db2.gz RLIHFQJSDFZXHY-UHFFFAOYSA-N 2 1 374.489 0.752 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000927644390 1211578922 /nfs/dbraw/zinc/57/89/22/1211578922.db2.gz MURPIZSGBZEPBX-FUHWJXTLSA-N 2 1 366.506 0.603 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001110942462 1211598994 /nfs/dbraw/zinc/59/89/94/1211598994.db2.gz NKTPNAULMKEBPX-MWTISTBLSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001110942462 1211598995 /nfs/dbraw/zinc/59/89/95/1211598995.db2.gz NKTPNAULMKEBPX-MWTISTBLSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001110942462 1211598997 /nfs/dbraw/zinc/59/89/97/1211598997.db2.gz NKTPNAULMKEBPX-MWTISTBLSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001110942462 1211598998 /nfs/dbraw/zinc/59/89/98/1211598998.db2.gz NKTPNAULMKEBPX-MWTISTBLSA-N 2 1 362.518 0.964 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000929645805 1211652613 /nfs/dbraw/zinc/65/26/13/1211652613.db2.gz LFDHMSUJAYRRKG-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000929645805 1211652616 /nfs/dbraw/zinc/65/26/16/1211652616.db2.gz LFDHMSUJAYRRKG-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980117 1211683533 /nfs/dbraw/zinc/68/35/33/1211683533.db2.gz QKDDEIHIGASZBE-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980117 1211683542 /nfs/dbraw/zinc/68/35/42/1211683542.db2.gz QKDDEIHIGASZBE-VQHPVUNQSA-N 2 1 368.522 0.591 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC000931431139 1211755573 /nfs/dbraw/zinc/75/55/73/1211755573.db2.gz JJTAWEIHONUIMZ-CABCVRRESA-N 2 1 362.449 0.918 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC000931431139 1211755574 /nfs/dbraw/zinc/75/55/74/1211755574.db2.gz JJTAWEIHONUIMZ-CABCVRRESA-N 2 1 362.449 0.918 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC000931431139 1211755576 /nfs/dbraw/zinc/75/55/76/1211755576.db2.gz JJTAWEIHONUIMZ-CABCVRRESA-N 2 1 362.449 0.918 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC000931431139 1211755581 /nfs/dbraw/zinc/75/55/81/1211755581.db2.gz JJTAWEIHONUIMZ-CABCVRRESA-N 2 1 362.449 0.918 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439587 1211756093 /nfs/dbraw/zinc/75/60/93/1211756093.db2.gz OZZIHEWIEIHBHD-IXDOHACOSA-N 2 1 358.442 0.748 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439587 1211756097 /nfs/dbraw/zinc/75/60/97/1211756097.db2.gz OZZIHEWIEIHBHD-IXDOHACOSA-N 2 1 358.442 0.748 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@@H]2C1 ZINC000931439587 1211756099 /nfs/dbraw/zinc/75/60/99/1211756099.db2.gz OZZIHEWIEIHBHD-IXDOHACOSA-N 2 1 358.442 0.748 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440784 1211756618 /nfs/dbraw/zinc/75/66/18/1211756618.db2.gz LHQOSZLEYZJSGF-IXDOHACOSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440784 1211756622 /nfs/dbraw/zinc/75/66/22/1211756622.db2.gz LHQOSZLEYZJSGF-IXDOHACOSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440784 1211756626 /nfs/dbraw/zinc/75/66/26/1211756626.db2.gz LHQOSZLEYZJSGF-IXDOHACOSA-N 2 1 358.490 0.397 20 0 FCADMP COc1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1OC ZINC000931486544 1211757881 /nfs/dbraw/zinc/75/78/81/1211757881.db2.gz FJKFOTVICAGROQ-UHFFFAOYSA-N 2 1 365.474 0.709 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000931606510 1211762975 /nfs/dbraw/zinc/76/29/75/1211762975.db2.gz ALYQUWOOIIZCPF-INIZCTEOSA-N 2 1 373.501 0.954 20 0 FCADMP COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000931674146 1211770716 /nfs/dbraw/zinc/77/07/16/1211770716.db2.gz ZFIFTLNAADBBAZ-SJORKVTESA-N 2 1 365.474 0.773 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878498 1211777162 /nfs/dbraw/zinc/77/71/62/1211777162.db2.gz JDUMLONLFZASDB-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931878498 1211777163 /nfs/dbraw/zinc/77/71/63/1211777163.db2.gz JDUMLONLFZASDB-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931878498 1211777164 /nfs/dbraw/zinc/77/71/64/1211777164.db2.gz JDUMLONLFZASDB-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931878498 1211777165 /nfs/dbraw/zinc/77/71/65/1211777165.db2.gz JDUMLONLFZASDB-FUHWJXTLSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000931880497 1211778659 /nfs/dbraw/zinc/77/86/59/1211778659.db2.gz FDOPIYAGRWZAJA-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000931880497 1211778662 /nfs/dbraw/zinc/77/86/62/1211778662.db2.gz FDOPIYAGRWZAJA-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000932621669 1211813969 /nfs/dbraw/zinc/81/39/69/1211813969.db2.gz NGJIIBIPXNJDLA-KDOFPFPSSA-N 2 1 374.489 0.506 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111038913 1211818717 /nfs/dbraw/zinc/81/87/17/1211818717.db2.gz RCIHAPCPZIGHBX-TVFCKZIOSA-N 2 1 369.506 0.218 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198183 1211924136 /nfs/dbraw/zinc/92/41/36/1211924136.db2.gz NOTDQWHLKXVPBZ-NXHRZFHOSA-N 2 1 369.506 0.482 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263254 1211987320 /nfs/dbraw/zinc/98/73/20/1211987320.db2.gz IKAYHCQLYQUFNB-MKXGPGLRSA-N 2 1 365.518 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784344 1212000507 /nfs/dbraw/zinc/00/05/07/1212000507.db2.gz NODMQGQRUTYXDP-XGQYXJOSSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784344 1212000516 /nfs/dbraw/zinc/00/05/16/1212000516.db2.gz NODMQGQRUTYXDP-XGQYXJOSSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784344 1212000518 /nfs/dbraw/zinc/00/05/18/1212000518.db2.gz NODMQGQRUTYXDP-XGQYXJOSSA-N 2 1 371.485 0.505 20 0 FCADMP Cn1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+]4CC5CC4(C5)CO2)C3)cn1 ZINC001095784344 1212000526 /nfs/dbraw/zinc/00/05/26/1212000526.db2.gz NODMQGQRUTYXDP-XGQYXJOSSA-N 2 1 371.485 0.505 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000947439358 1212031242 /nfs/dbraw/zinc/03/12/42/1212031242.db2.gz KSPFRSFETOVPFD-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000947439358 1212031248 /nfs/dbraw/zinc/03/12/48/1212031248.db2.gz KSPFRSFETOVPFD-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274913 1212194004 /nfs/dbraw/zinc/19/40/04/1212194004.db2.gz MYKPYZIPDSTEDF-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274913 1212194009 /nfs/dbraw/zinc/19/40/09/1212194009.db2.gz MYKPYZIPDSTEDF-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274913 1212194015 /nfs/dbraw/zinc/19/40/15/1212194015.db2.gz MYKPYZIPDSTEDF-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274913 1212194020 /nfs/dbraw/zinc/19/40/20/1212194020.db2.gz MYKPYZIPDSTEDF-VQHPVUNQSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949017341 1212276459 /nfs/dbraw/zinc/27/64/59/1212276459.db2.gz GHHXIJSOADRBHP-BRWVUGGUSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000949240677 1212333675 /nfs/dbraw/zinc/33/36/75/1212333675.db2.gz OYULJWNRGSIPPU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000949240677 1212333683 /nfs/dbraw/zinc/33/36/83/1212333683.db2.gz OYULJWNRGSIPPU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000949240677 1212333686 /nfs/dbraw/zinc/33/36/86/1212333686.db2.gz OYULJWNRGSIPPU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000949240677 1212333694 /nfs/dbraw/zinc/33/36/94/1212333694.db2.gz OYULJWNRGSIPPU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111308133 1212537237 /nfs/dbraw/zinc/53/72/37/1212537237.db2.gz JQFHHLBUGJZUAN-OAGGEKHMSA-N 2 1 364.490 0.589 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111308133 1212537244 /nfs/dbraw/zinc/53/72/44/1212537244.db2.gz JQFHHLBUGJZUAN-OAGGEKHMSA-N 2 1 364.490 0.589 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111308133 1212537249 /nfs/dbraw/zinc/53/72/49/1212537249.db2.gz JQFHHLBUGJZUAN-OAGGEKHMSA-N 2 1 364.490 0.589 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618794 1212538475 /nfs/dbraw/zinc/53/84/75/1212538475.db2.gz NRUUQMKBEULPFW-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618794 1212538481 /nfs/dbraw/zinc/53/84/81/1212538481.db2.gz NRUUQMKBEULPFW-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618794 1212538482 /nfs/dbraw/zinc/53/84/82/1212538482.db2.gz NRUUQMKBEULPFW-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001007618794 1212538489 /nfs/dbraw/zinc/53/84/89/1212538489.db2.gz NRUUQMKBEULPFW-HYVNUMGLSA-N 2 1 362.474 0.185 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001007825476 1212585283 /nfs/dbraw/zinc/58/52/83/1212585283.db2.gz FXQJMAAWTFBJDQ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001007825476 1212585288 /nfs/dbraw/zinc/58/52/88/1212585288.db2.gz FXQJMAAWTFBJDQ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001007848735 1212590020 /nfs/dbraw/zinc/59/00/20/1212590020.db2.gz RJXFWSXRBGWPPK-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000950788730 1212672033 /nfs/dbraw/zinc/67/20/33/1212672033.db2.gz MIGMJIBLAGQYCD-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000950788730 1212672035 /nfs/dbraw/zinc/67/20/35/1212672035.db2.gz MIGMJIBLAGQYCD-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)O1 ZINC000950792462 1212675822 /nfs/dbraw/zinc/67/58/22/1212675822.db2.gz GYVVCDQZQLBDEB-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)O1 ZINC000950792462 1212675827 /nfs/dbraw/zinc/67/58/27/1212675827.db2.gz GYVVCDQZQLBDEB-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008337723 1212680852 /nfs/dbraw/zinc/68/08/52/1212680852.db2.gz BMXHIJLTSYQIAU-OAGGEKHMSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008337723 1212680858 /nfs/dbraw/zinc/68/08/58/1212680858.db2.gz BMXHIJLTSYQIAU-OAGGEKHMSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC000950874432 1212700408 /nfs/dbraw/zinc/70/04/08/1212700408.db2.gz MBBVLONDEOHZMI-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC000950874432 1212700411 /nfs/dbraw/zinc/70/04/11/1212700411.db2.gz MBBVLONDEOHZMI-VNHYZAJKSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000950894572 1212704582 /nfs/dbraw/zinc/70/45/82/1212704582.db2.gz HDZGCGQFXHJQTH-XJKCOSOUSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000950894572 1212704585 /nfs/dbraw/zinc/70/45/85/1212704585.db2.gz HDZGCGQFXHJQTH-XJKCOSOUSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)O1 ZINC000951190748 1212783113 /nfs/dbraw/zinc/78/31/13/1212783113.db2.gz HNFFCGQXMRSDSJ-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)O1 ZINC000951190748 1212783116 /nfs/dbraw/zinc/78/31/16/1212783116.db2.gz HNFFCGQXMRSDSJ-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951249654 1212803821 /nfs/dbraw/zinc/80/38/21/1212803821.db2.gz CZTNQQHKPVULQV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951249654 1212803823 /nfs/dbraw/zinc/80/38/23/1212803823.db2.gz CZTNQQHKPVULQV-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@H+]1C ZINC001009112975 1212805179 /nfs/dbraw/zinc/80/51/79/1212805179.db2.gz MRFIMICDRHMBPV-HHARLNAUSA-N 2 1 360.502 0.243 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC001009116502 1212806108 /nfs/dbraw/zinc/80/61/08/1212806108.db2.gz DDYUKTYLKSVLSB-FGTAOJJYSA-N 2 1 362.518 0.489 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000954409146 1213069649 /nfs/dbraw/zinc/06/96/49/1213069649.db2.gz LNYRDQCGTWKTJP-ZTFGCOKTSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000954411769 1213071328 /nfs/dbraw/zinc/07/13/28/1213071328.db2.gz VSEZKHRZFRAHNZ-IUODEOHRSA-N 2 1 363.462 0.359 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000954411769 1213071336 /nfs/dbraw/zinc/07/13/36/1213071336.db2.gz VSEZKHRZFRAHNZ-IUODEOHRSA-N 2 1 363.462 0.359 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954497315 1213080332 /nfs/dbraw/zinc/08/03/32/1213080332.db2.gz YHKKFXKXROOLLY-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954497315 1213080335 /nfs/dbraw/zinc/08/03/35/1213080335.db2.gz YHKKFXKXROOLLY-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954497315 1213080338 /nfs/dbraw/zinc/08/03/38/1213080338.db2.gz YHKKFXKXROOLLY-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954497315 1213080339 /nfs/dbraw/zinc/08/03/39/1213080339.db2.gz YHKKFXKXROOLLY-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000956319312 1213186151 /nfs/dbraw/zinc/18/61/51/1213186151.db2.gz LDNFJSAPHCFDHY-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000956319312 1213186153 /nfs/dbraw/zinc/18/61/53/1213186153.db2.gz LDNFJSAPHCFDHY-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000956319312 1213186155 /nfs/dbraw/zinc/18/61/55/1213186155.db2.gz LDNFJSAPHCFDHY-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000956319312 1213186157 /nfs/dbraw/zinc/18/61/57/1213186157.db2.gz LDNFJSAPHCFDHY-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000641806041 1213215883 /nfs/dbraw/zinc/21/58/83/1213215883.db2.gz BCSWVIXHGOAVSF-KURKYZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806041 1213215888 /nfs/dbraw/zinc/21/58/88/1213215888.db2.gz BCSWVIXHGOAVSF-KURKYZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806041 1213215891 /nfs/dbraw/zinc/21/58/91/1213215891.db2.gz BCSWVIXHGOAVSF-KURKYZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CC[NH+]([C@@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC000957552676 1213320752 /nfs/dbraw/zinc/32/07/52/1213320752.db2.gz WIQNQETZDMTRNP-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000959658872 1213489830 /nfs/dbraw/zinc/48/98/30/1213489830.db2.gz FXNLPOGRRVGZHM-HZPDHXFCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC(C)CC4)C[C@H]32)CC[N@H+]1C ZINC000959971944 1213566482 /nfs/dbraw/zinc/56/64/82/1213566482.db2.gz HIAMRORUWMPPOG-RXYDEIHYSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC(C)CC4)C[C@H]32)CC[NH+]1C ZINC000959971944 1213566483 /nfs/dbraw/zinc/56/64/83/1213566483.db2.gz HIAMRORUWMPPOG-RXYDEIHYSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC(C)CC4)C[C@H]32)CC[NH+]1C ZINC000959971944 1213566487 /nfs/dbraw/zinc/56/64/87/1213566487.db2.gz HIAMRORUWMPPOG-RXYDEIHYSA-N 2 1 362.518 0.632 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000649308695 1213652896 /nfs/dbraw/zinc/65/28/96/1213652896.db2.gz VPOYXNLGJHAHAI-QGZVFWFLSA-N 2 1 360.458 0.781 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772450 1225475747 /nfs/dbraw/zinc/47/57/47/1225475747.db2.gz AQHKPTFITQOLCU-IAGOWNOFSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221771924 1225476482 /nfs/dbraw/zinc/47/64/82/1225476482.db2.gz KATBIQBKUGZBMY-IXDOHACOSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221771924 1225476487 /nfs/dbraw/zinc/47/64/87/1225476487.db2.gz KATBIQBKUGZBMY-IXDOHACOSA-N 2 1 362.518 0.870 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960525622 1213802728 /nfs/dbraw/zinc/80/27/28/1213802728.db2.gz KDJMAVXNRKLWQQ-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960525622 1213802731 /nfs/dbraw/zinc/80/27/31/1213802731.db2.gz KDJMAVXNRKLWQQ-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960525622 1213802732 /nfs/dbraw/zinc/80/27/32/1213802732.db2.gz KDJMAVXNRKLWQQ-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960525622 1213802733 /nfs/dbraw/zinc/80/27/33/1213802733.db2.gz KDJMAVXNRKLWQQ-JGDVQOIXSA-N 2 1 362.474 0.811 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CCC[NH+]2C)C3)CC[N@H+]1C ZINC001010683942 1213808363 /nfs/dbraw/zinc/80/83/63/1213808363.db2.gz GRZMXEDNSUDRSU-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C3)CC[NH+]1C ZINC001010683942 1213808365 /nfs/dbraw/zinc/80/83/65/1213808365.db2.gz GRZMXEDNSUDRSU-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C3)CC[NH+]1C ZINC001010683942 1213808368 /nfs/dbraw/zinc/80/83/68/1213808368.db2.gz GRZMXEDNSUDRSU-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001011209602 1213850077 /nfs/dbraw/zinc/85/00/77/1213850077.db2.gz ICZLXEYGYMIOGW-NXHRZFHOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418936005 1213927702 /nfs/dbraw/zinc/92/77/02/1213927702.db2.gz BCYPJUGHVODLGB-JXFKEZNVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001221822989 1225493795 /nfs/dbraw/zinc/49/37/95/1225493795.db2.gz APKYTEHCLYMYNC-RCCFBDPRSA-N 2 1 369.506 0.029 20 0 FCADMP CC(=O)N1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001015842196 1213998432 /nfs/dbraw/zinc/99/84/32/1213998432.db2.gz YMYGTSKTQMJTCM-AGERRDQYSA-N 2 1 366.506 0.297 20 0 FCADMP CC(=O)N1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001015842196 1213998438 /nfs/dbraw/zinc/99/84/38/1213998438.db2.gz YMYGTSKTQMJTCM-AGERRDQYSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2ccnn2C)CC3)O1 ZINC001016686262 1214035072 /nfs/dbraw/zinc/03/50/72/1214035072.db2.gz WNBWJDYPIPOENV-OIISXLGYSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2ccnn2C)CC3)O1 ZINC001016686262 1214035079 /nfs/dbraw/zinc/03/50/79/1214035079.db2.gz WNBWJDYPIPOENV-OIISXLGYSA-N 2 1 361.490 0.610 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001018870189 1214167076 /nfs/dbraw/zinc/16/70/76/1214167076.db2.gz HKQPDHWIEHALFM-SOUVJXGZSA-N 2 1 362.478 0.229 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001018870189 1214167079 /nfs/dbraw/zinc/16/70/79/1214167079.db2.gz HKQPDHWIEHALFM-SOUVJXGZSA-N 2 1 362.478 0.229 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419429383 1214180214 /nfs/dbraw/zinc/18/02/14/1214180214.db2.gz UPHMGGLQPXQZPF-NRFANRHFSA-N 2 1 370.497 0.906 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001019038655 1214183593 /nfs/dbraw/zinc/18/35/93/1214183593.db2.gz XRMSVDOYUXIBNP-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019038655 1214183597 /nfs/dbraw/zinc/18/35/97/1214183597.db2.gz XRMSVDOYUXIBNP-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001019038655 1214183598 /nfs/dbraw/zinc/18/35/98/1214183598.db2.gz XRMSVDOYUXIBNP-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC001019416683 1214239744 /nfs/dbraw/zinc/23/97/44/1214239744.db2.gz SWAMJIYUANIVAL-UHOSZYNNSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)nn1 ZINC001019416683 1214239751 /nfs/dbraw/zinc/23/97/51/1214239751.db2.gz SWAMJIYUANIVAL-UHOSZYNNSA-N 2 1 368.485 0.851 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@H+]1C ZINC000961666007 1214261465 /nfs/dbraw/zinc/26/14/65/1214261465.db2.gz BKFAFULPDYEVGR-HSFUPAIVSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961666007 1214261469 /nfs/dbraw/zinc/26/14/69/1214261469.db2.gz BKFAFULPDYEVGR-HSFUPAIVSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961666007 1214261474 /nfs/dbraw/zinc/26/14/74/1214261474.db2.gz BKFAFULPDYEVGR-HSFUPAIVSA-N 2 1 362.518 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCCC[NH+]4C)C[C@@H]3C2)CC[N@H+]1C ZINC000961666824 1214262550 /nfs/dbraw/zinc/26/25/50/1214262550.db2.gz NMBMLBLGWQYEDU-UYTYNIKBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961666824 1214262554 /nfs/dbraw/zinc/26/25/54/1214262554.db2.gz NMBMLBLGWQYEDU-UYTYNIKBSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961666824 1214262557 /nfs/dbraw/zinc/26/25/57/1214262557.db2.gz NMBMLBLGWQYEDU-UYTYNIKBSA-N 2 1 362.518 0.728 20 0 FCADMP COCCc1noc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000961848723 1214333685 /nfs/dbraw/zinc/33/36/85/1214333685.db2.gz HLPMMMRJGLSKKK-XSCHDIRWSA-N 2 1 365.478 0.583 20 0 FCADMP COCCc1noc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000961848723 1214333693 /nfs/dbraw/zinc/33/36/93/1214333693.db2.gz HLPMMMRJGLSKKK-XSCHDIRWSA-N 2 1 365.478 0.583 20 0 FCADMP COCCc1noc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000961848723 1214333703 /nfs/dbraw/zinc/33/37/03/1214333703.db2.gz HLPMMMRJGLSKKK-XSCHDIRWSA-N 2 1 365.478 0.583 20 0 FCADMP COc1cccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961987500 1214393176 /nfs/dbraw/zinc/39/31/76/1214393176.db2.gz AQGBVJPFUCFZJS-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961987500 1214393183 /nfs/dbraw/zinc/39/31/83/1214393183.db2.gz AQGBVJPFUCFZJS-RKHAHWSXSA-N 2 1 362.474 0.794 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039606635 1214405890 /nfs/dbraw/zinc/40/58/90/1214405890.db2.gz HGJYPNRCBWRBSX-XHSDSOJGSA-N 2 1 370.461 0.501 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039606635 1214405896 /nfs/dbraw/zinc/40/58/96/1214405896.db2.gz HGJYPNRCBWRBSX-XHSDSOJGSA-N 2 1 370.461 0.501 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001040450363 1214510692 /nfs/dbraw/zinc/51/06/92/1214510692.db2.gz PGMRKKNQPNGNDO-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001040450363 1214510696 /nfs/dbraw/zinc/51/06/96/1214510696.db2.gz PGMRKKNQPNGNDO-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001040450363 1214510699 /nfs/dbraw/zinc/51/06/99/1214510699.db2.gz PGMRKKNQPNGNDO-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936616 1225542378 /nfs/dbraw/zinc/54/23/78/1225542378.db2.gz MWKCNIHCCOWECC-CEXWTWQISA-N 2 1 365.518 0.648 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950553 1225549237 /nfs/dbraw/zinc/54/92/37/1225549237.db2.gz NDYWDYFLJIKIMR-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950553 1225549242 /nfs/dbraw/zinc/54/92/42/1225549242.db2.gz NDYWDYFLJIKIMR-BRWVUGGUSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000963072312 1214725854 /nfs/dbraw/zinc/72/58/54/1214725854.db2.gz ACDOXVMUYWAMKT-OAGGEKHMSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950737 1225550432 /nfs/dbraw/zinc/55/04/32/1225550432.db2.gz WDAPMEMHUFWJBM-BRWVUGGUSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001221950737 1225550436 /nfs/dbraw/zinc/55/04/36/1225550436.db2.gz WDAPMEMHUFWJBM-BRWVUGGUSA-N 2 1 366.506 0.107 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962774 1225555166 /nfs/dbraw/zinc/55/51/66/1225555166.db2.gz VPQHZXXYJJGLJE-FGTMMUONSA-N 2 1 371.522 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC[N@H+]1C ZINC000963796598 1214852762 /nfs/dbraw/zinc/85/27/62/1214852762.db2.gz FIVVKHCJTQLXRN-CWQOZTLDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC[NH+]1C ZINC000963796598 1214852766 /nfs/dbraw/zinc/85/27/66/1214852766.db2.gz FIVVKHCJTQLXRN-CWQOZTLDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC[NH+]1C ZINC000963796598 1214852768 /nfs/dbraw/zinc/85/27/68/1214852768.db2.gz FIVVKHCJTQLXRN-CWQOZTLDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCN2CCNC2=O)C3)CC[N@H+]1C ZINC000963830687 1214860542 /nfs/dbraw/zinc/86/05/42/1214860542.db2.gz RPGNVDCECUVTQD-ITFIPKOWSA-N 2 1 363.506 0.369 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2ccn(C)n2)C3)O1 ZINC000964030506 1214890776 /nfs/dbraw/zinc/89/07/76/1214890776.db2.gz PFPXBMTUAJDODM-UFWSXWLSSA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2ccn(C)n2)C3)O1 ZINC000964030506 1214890778 /nfs/dbraw/zinc/89/07/78/1214890778.db2.gz PFPXBMTUAJDODM-UFWSXWLSSA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)CC[N@H+]1C ZINC000967368856 1215234259 /nfs/dbraw/zinc/23/42/59/1215234259.db2.gz QRWXQORTMBSDQN-BZUAXINKSA-N 2 1 361.490 0.989 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968015134 1215274026 /nfs/dbraw/zinc/27/40/26/1215274026.db2.gz BUIAFFCCUWUHQJ-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968015134 1215274031 /nfs/dbraw/zinc/27/40/31/1215274031.db2.gz BUIAFFCCUWUHQJ-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968015134 1215274033 /nfs/dbraw/zinc/27/40/33/1215274033.db2.gz BUIAFFCCUWUHQJ-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968015134 1215274038 /nfs/dbraw/zinc/27/40/38/1215274038.db2.gz BUIAFFCCUWUHQJ-OIISXLGYSA-N 2 1 366.506 0.107 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001222045553 1225588440 /nfs/dbraw/zinc/58/84/40/1225588440.db2.gz OXXRGOHLHZMVIX-IEBWSBKVSA-N 2 1 361.486 0.903 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000968099254 1215287208 /nfs/dbraw/zinc/28/72/08/1215287208.db2.gz YUZFMVLYJCYTBB-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000968099254 1215287212 /nfs/dbraw/zinc/28/72/12/1215287212.db2.gz YUZFMVLYJCYTBB-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000968099254 1215287216 /nfs/dbraw/zinc/28/72/16/1215287216.db2.gz YUZFMVLYJCYTBB-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000968099254 1215287219 /nfs/dbraw/zinc/28/72/19/1215287219.db2.gz YUZFMVLYJCYTBB-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001000477297 1216068194 /nfs/dbraw/zinc/06/81/94/1216068194.db2.gz QHBBKCJKSAAPIY-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001000477297 1216068197 /nfs/dbraw/zinc/06/81/97/1216068197.db2.gz QHBBKCJKSAAPIY-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)C1 ZINC001000494516 1216072556 /nfs/dbraw/zinc/07/25/56/1216072556.db2.gz PRKWMFMUJGPAQI-NCOADZHNSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)C1 ZINC001000494516 1216072559 /nfs/dbraw/zinc/07/25/59/1216072559.db2.gz PRKWMFMUJGPAQI-NCOADZHNSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)C1 ZINC001000494516 1216072562 /nfs/dbraw/zinc/07/25/62/1216072562.db2.gz PRKWMFMUJGPAQI-NCOADZHNSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001000838097 1216119340 /nfs/dbraw/zinc/11/93/40/1216119340.db2.gz SDOORSDEGSDJFN-NVXWUHKLSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCN3CCCC3=O)CC2)O1 ZINC001000838097 1216119341 /nfs/dbraw/zinc/11/93/41/1216119341.db2.gz SDOORSDEGSDJFN-NVXWUHKLSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CCN3CCCC3=O)CC2)O1 ZINC001000838097 1216119343 /nfs/dbraw/zinc/11/93/43/1216119343.db2.gz SDOORSDEGSDJFN-NVXWUHKLSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CCN3CCCC3=O)CC2)O1 ZINC001000838097 1216119344 /nfs/dbraw/zinc/11/93/44/1216119344.db2.gz SDOORSDEGSDJFN-NVXWUHKLSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001001419180 1216194652 /nfs/dbraw/zinc/19/46/52/1216194652.db2.gz PQYFVDYXDSLMIE-HYVNUMGLSA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001001534738 1216238851 /nfs/dbraw/zinc/23/88/51/1216238851.db2.gz ZPNYPOBGHLHNNU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001001534738 1216238865 /nfs/dbraw/zinc/23/88/65/1216238865.db2.gz ZPNYPOBGHLHNNU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050524606 1216331005 /nfs/dbraw/zinc/33/10/05/1216331005.db2.gz HWHORPWMEOZIAT-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H](C)[N@H+]1CCOC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001276850826 1225667889 /nfs/dbraw/zinc/66/78/89/1225667889.db2.gz GPLVNQCSCXIOOT-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)CC[N@H+]1C ZINC001051622151 1216465954 /nfs/dbraw/zinc/46/59/54/1216465954.db2.gz NWWSLQMACMCZGK-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(OC)no3)C2)CC[N@@H+]1C ZINC001051624662 1216469604 /nfs/dbraw/zinc/46/96/04/1216469604.db2.gz SGMLNVQEILLYSQ-HRCADAONSA-N 2 1 366.462 0.731 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(OC)no3)C2)CC[N@H+]1C ZINC001051624662 1216469610 /nfs/dbraw/zinc/46/96/10/1216469610.db2.gz SGMLNVQEILLYSQ-HRCADAONSA-N 2 1 366.462 0.731 20 0 FCADMP CC(C)CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043162 1216491406 /nfs/dbraw/zinc/49/14/06/1216491406.db2.gz QPMRRCAOGGVXKE-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043162 1216491410 /nfs/dbraw/zinc/49/14/10/1216491410.db2.gz QPMRRCAOGGVXKE-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052487636 1216560626 /nfs/dbraw/zinc/56/06/26/1216560626.db2.gz ANOHFTHMJGKULQ-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052487636 1216560630 /nfs/dbraw/zinc/56/06/30/1216560630.db2.gz ANOHFTHMJGKULQ-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487636 1216560634 /nfs/dbraw/zinc/56/06/34/1216560634.db2.gz ANOHFTHMJGKULQ-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487636 1216560642 /nfs/dbraw/zinc/56/06/42/1216560642.db2.gz ANOHFTHMJGKULQ-UWWQBHOKSA-N 2 1 361.490 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[NH+](C)CC)CC[N@H+]1C ZINC001057942535 1216606193 /nfs/dbraw/zinc/60/61/93/1216606193.db2.gz KESZVVZHLOWPCT-JKSUJKDBSA-N 2 1 370.538 0.384 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC)CC[NH+]1C ZINC001057942535 1216606197 /nfs/dbraw/zinc/60/61/97/1216606197.db2.gz KESZVVZHLOWPCT-JKSUJKDBSA-N 2 1 370.538 0.384 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[N@@H+](C)CC)CC[NH+]1C ZINC001057942535 1216606201 /nfs/dbraw/zinc/60/62/01/1216606201.db2.gz KESZVVZHLOWPCT-JKSUJKDBSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cccc(N3CC[C@H]([NH2+]CCO)C3)n2)CC[N@H+]1C ZINC001069838938 1216805136 /nfs/dbraw/zinc/80/51/36/1216805136.db2.gz MDKPHGOZRSIVOT-HYVNUMGLSA-N 2 1 361.490 0.199 20 0 FCADMP CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001069848394 1216805963 /nfs/dbraw/zinc/80/59/63/1216805963.db2.gz YZSVRSFGGKFVFS-DJIMGWMZSA-N 2 1 361.490 0.605 20 0 FCADMP CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001069848394 1216805964 /nfs/dbraw/zinc/80/59/64/1216805964.db2.gz YZSVRSFGGKFVFS-DJIMGWMZSA-N 2 1 361.490 0.605 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945057 1216858160 /nfs/dbraw/zinc/85/81/60/1216858160.db2.gz DDIOYXXDFRTFNT-BBWFWOEESA-N 2 1 366.485 0.957 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945057 1216858163 /nfs/dbraw/zinc/85/81/63/1216858163.db2.gz DDIOYXXDFRTFNT-BBWFWOEESA-N 2 1 366.485 0.957 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001069945057 1216858164 /nfs/dbraw/zinc/85/81/64/1216858164.db2.gz DDIOYXXDFRTFNT-BBWFWOEESA-N 2 1 366.485 0.957 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070009109 1216895527 /nfs/dbraw/zinc/89/55/27/1216895527.db2.gz KEVSAVVXSKUOAK-CVEARBPZSA-N 2 1 358.446 0.998 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070009109 1216895529 /nfs/dbraw/zinc/89/55/29/1216895529.db2.gz KEVSAVVXSKUOAK-CVEARBPZSA-N 2 1 358.446 0.998 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045474 1216920147 /nfs/dbraw/zinc/92/01/47/1216920147.db2.gz CEAIFWBEAZJCBN-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[NH+]1CCCCCC1 ZINC001070045474 1216920151 /nfs/dbraw/zinc/92/01/51/1216920151.db2.gz CEAIFWBEAZJCBN-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393467 1225702893 /nfs/dbraw/zinc/70/28/93/1225702893.db2.gz NEBPIRCDVJCKKO-SJORKVTESA-N 2 1 367.538 0.959 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046836 1216922342 /nfs/dbraw/zinc/92/23/42/1216922342.db2.gz REBWOCQMNDPURI-OIISXLGYSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)CC1 ZINC001223415757 1225705055 /nfs/dbraw/zinc/70/50/55/1225705055.db2.gz JKNORGZTDHPLTP-AEFFLSMTSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)CC1 ZINC001223415757 1225705060 /nfs/dbraw/zinc/70/50/60/1225705060.db2.gz JKNORGZTDHPLTP-AEFFLSMTSA-N 2 1 362.518 0.777 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223683686 1225726482 /nfs/dbraw/zinc/72/64/82/1225726482.db2.gz HPRQVCPATSYIAL-SQNIBIBYSA-N 2 1 364.490 0.902 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223683686 1225726488 /nfs/dbraw/zinc/72/64/88/1225726488.db2.gz HPRQVCPATSYIAL-SQNIBIBYSA-N 2 1 364.490 0.902 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCN4CCCC4=O)C3)C2)CC[N@H+]1C ZINC001041301712 1217274039 /nfs/dbraw/zinc/27/40/39/1217274039.db2.gz PUAROAJMHLQSOG-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCN4CCCC4=O)C3)C2)CC[NH+]1C ZINC001041301712 1217274044 /nfs/dbraw/zinc/27/40/44/1217274044.db2.gz PUAROAJMHLQSOG-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCN4CCCC4=O)C3)C2)CC[NH+]1C ZINC001041301712 1217274049 /nfs/dbraw/zinc/27/40/49/1217274049.db2.gz PUAROAJMHLQSOG-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704094 1217356568 /nfs/dbraw/zinc/35/65/68/1217356568.db2.gz NWSXSRCTSWTOJE-LQWHRVPQSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704094 1217356573 /nfs/dbraw/zinc/35/65/73/1217356573.db2.gz NWSXSRCTSWTOJE-LQWHRVPQSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704094 1217356580 /nfs/dbraw/zinc/35/65/80/1217356580.db2.gz NWSXSRCTSWTOJE-LQWHRVPQSA-N 2 1 370.497 0.742 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704095 1217357065 /nfs/dbraw/zinc/35/70/65/1217357065.db2.gz NWSXSRCTSWTOJE-LVCYWYKZSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704095 1217357069 /nfs/dbraw/zinc/35/70/69/1217357069.db2.gz NWSXSRCTSWTOJE-LVCYWYKZSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)[C@@H](c2ccccc2)C1 ZINC001041704095 1217357075 /nfs/dbraw/zinc/35/70/75/1217357075.db2.gz NWSXSRCTSWTOJE-LVCYWYKZSA-N 2 1 370.497 0.742 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958679 1225768236 /nfs/dbraw/zinc/76/82/36/1225768236.db2.gz IQLODSIVPXQQIH-FQEVSTJZSA-N 2 1 366.550 0.567 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958679 1225768241 /nfs/dbraw/zinc/76/82/41/1225768241.db2.gz IQLODSIVPXQQIH-FQEVSTJZSA-N 2 1 366.550 0.567 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958679 1225768242 /nfs/dbraw/zinc/76/82/42/1225768242.db2.gz IQLODSIVPXQQIH-FQEVSTJZSA-N 2 1 366.550 0.567 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001095965339 1217789893 /nfs/dbraw/zinc/78/98/93/1217789893.db2.gz QPGUYGDXJANVKR-QZWWFDLISA-N 2 1 358.490 0.829 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001045439976 1217929044 /nfs/dbraw/zinc/92/90/44/1217929044.db2.gz FCYFUBWFCCFEQQ-ZNMIVQPWSA-N 2 1 364.490 0.493 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001045445139 1217929724 /nfs/dbraw/zinc/92/97/24/1217929724.db2.gz VGSOZBUSJRHBAV-BRWVUGGUSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001045479307 1217932024 /nfs/dbraw/zinc/93/20/24/1217932024.db2.gz ZTCQRPNRCWHJAP-NVXWUHKLSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCc3cnn(C)c3)CC2)O1 ZINC001045479307 1217932028 /nfs/dbraw/zinc/93/20/28/1217932028.db2.gz ZTCQRPNRCWHJAP-NVXWUHKLSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@H](CO)C[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276973549 1225780861 /nfs/dbraw/zinc/78/08/61/1225780861.db2.gz DVYGFXQDIVIBLY-ICSRJNTNSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC4CCC4)C3)CC2)O1 ZINC001046039397 1217989047 /nfs/dbraw/zinc/98/90/47/1217989047.db2.gz XQBWVJWSLFZDDX-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC4CCC4)C3)CC2)O1 ZINC001046039397 1217989051 /nfs/dbraw/zinc/98/90/51/1217989051.db2.gz XQBWVJWSLFZDDX-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC4CCC4)C3)CC2)O1 ZINC001046039397 1217989055 /nfs/dbraw/zinc/98/90/55/1217989055.db2.gz XQBWVJWSLFZDDX-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CC4CCC4)C3)CC2)O1 ZINC001046039397 1217989056 /nfs/dbraw/zinc/98/90/56/1217989056.db2.gz XQBWVJWSLFZDDX-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC4CCC4)C3)CC2)O1 ZINC001046039397 1217989059 /nfs/dbraw/zinc/98/90/59/1217989059.db2.gz XQBWVJWSLFZDDX-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900497976 1217999555 /nfs/dbraw/zinc/99/95/55/1217999555.db2.gz QLRKJEGRMOTZSZ-INIZCTEOSA-N 2 1 364.494 0.117 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898899 1218050707 /nfs/dbraw/zinc/05/07/07/1218050707.db2.gz NLQRJGMQWDWXLB-HXUWFJFHSA-N 2 1 371.485 0.812 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000900967306 1218063667 /nfs/dbraw/zinc/06/36/67/1218063667.db2.gz VWNPPRWZNCBCLA-LJQANCHMSA-N 2 1 366.550 0.973 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000901084731 1218077321 /nfs/dbraw/zinc/07/73/21/1218077321.db2.gz ONZKMCMTOUEVTL-UHFFFAOYSA-N 2 1 362.522 0.875 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001047428805 1218142696 /nfs/dbraw/zinc/14/26/96/1218142696.db2.gz QCFBWLWJEDLFAX-LAVFITLUSA-N 2 1 365.518 0.789 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001047428805 1218142702 /nfs/dbraw/zinc/14/27/02/1218142702.db2.gz QCFBWLWJEDLFAX-LAVFITLUSA-N 2 1 365.518 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001047428805 1218142706 /nfs/dbraw/zinc/14/27/06/1218142706.db2.gz QCFBWLWJEDLFAX-LAVFITLUSA-N 2 1 365.518 0.789 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)O1 ZINC001047428805 1218142709 /nfs/dbraw/zinc/14/27/09/1218142709.db2.gz QCFBWLWJEDLFAX-LAVFITLUSA-N 2 1 365.518 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ncc(F)cn3)CC2)CC[N@@H+]1C ZINC001096259203 1218201931 /nfs/dbraw/zinc/20/19/31/1218201931.db2.gz RGGJWQCKNQXUPN-GDBMZVCRSA-N 2 1 364.469 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ncc(F)cn3)CC2)CC[N@H+]1C ZINC001096259203 1218201936 /nfs/dbraw/zinc/20/19/36/1218201936.db2.gz RGGJWQCKNQXUPN-GDBMZVCRSA-N 2 1 364.469 0.584 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096355871 1218262721 /nfs/dbraw/zinc/26/27/21/1218262721.db2.gz FRIXOMLPHLNUSG-QZWWFDLISA-N 2 1 360.502 0.813 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096355871 1218262733 /nfs/dbraw/zinc/26/27/33/1218262733.db2.gz FRIXOMLPHLNUSG-QZWWFDLISA-N 2 1 360.502 0.813 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001096356871 1218263989 /nfs/dbraw/zinc/26/39/89/1218263989.db2.gz YLDVZQNYMISGNT-QZWWFDLISA-N 2 1 359.474 0.061 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225347541 1225808060 /nfs/dbraw/zinc/80/80/60/1225808060.db2.gz ZOOWDBLSQDRXSL-RBSFLKMASA-N 2 1 367.494 0.333 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048538263 1218283411 /nfs/dbraw/zinc/28/34/11/1218283411.db2.gz NRXVPHHLEANIEC-XJTKPRQNSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538263 1218283420 /nfs/dbraw/zinc/28/34/20/1218283420.db2.gz NRXVPHHLEANIEC-XJTKPRQNSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048538263 1218283426 /nfs/dbraw/zinc/28/34/26/1218283426.db2.gz NRXVPHHLEANIEC-XJTKPRQNSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048538263 1218283436 /nfs/dbraw/zinc/28/34/36/1218283436.db2.gz NRXVPHHLEANIEC-XJTKPRQNSA-N 2 1 366.506 0.329 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048538263 1218283442 /nfs/dbraw/zinc/28/34/42/1218283442.db2.gz NRXVPHHLEANIEC-XJTKPRQNSA-N 2 1 366.506 0.329 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001048606381 1218294930 /nfs/dbraw/zinc/29/49/30/1218294930.db2.gz IXXKBYUGLPNVPW-KLHDSHLOSA-N 2 1 363.510 0.563 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829039 1218323187 /nfs/dbraw/zinc/32/31/87/1218323187.db2.gz GCCLYFKPJBQJSW-MDMSPXHWSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829039 1218323193 /nfs/dbraw/zinc/32/31/93/1218323193.db2.gz GCCLYFKPJBQJSW-MDMSPXHWSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCNC(=O)CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829039 1218323200 /nfs/dbraw/zinc/32/32/00/1218323200.db2.gz GCCLYFKPJBQJSW-MDMSPXHWSA-N 2 1 362.518 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829797 1218323872 /nfs/dbraw/zinc/32/38/72/1218323872.db2.gz YATMUVHHMHSCTP-XLMAVXFVSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829797 1218323878 /nfs/dbraw/zinc/32/38/78/1218323878.db2.gz YATMUVHHMHSCTP-XLMAVXFVSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829797 1218323883 /nfs/dbraw/zinc/32/38/83/1218323883.db2.gz YATMUVHHMHSCTP-XLMAVXFVSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891953 1218335713 /nfs/dbraw/zinc/33/57/13/1218335713.db2.gz XQHCOYBKRRYCAT-NYCLONFESA-N 2 1 359.474 0.394 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891953 1218335719 /nfs/dbraw/zinc/33/57/19/1218335719.db2.gz XQHCOYBKRRYCAT-NYCLONFESA-N 2 1 359.474 0.394 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891953 1218335724 /nfs/dbraw/zinc/33/57/24/1218335724.db2.gz XQHCOYBKRRYCAT-NYCLONFESA-N 2 1 359.474 0.394 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891953 1218335731 /nfs/dbraw/zinc/33/57/31/1218335731.db2.gz XQHCOYBKRRYCAT-NYCLONFESA-N 2 1 359.474 0.394 20 0 FCADMP Cc1ncc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048890021 1218336698 /nfs/dbraw/zinc/33/66/98/1218336698.db2.gz DHVKVZFPCQZRRD-NKGKWGDASA-N 2 1 359.474 0.394 20 0 FCADMP Cc1ncc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048890021 1218336701 /nfs/dbraw/zinc/33/67/01/1218336701.db2.gz DHVKVZFPCQZRRD-NKGKWGDASA-N 2 1 359.474 0.394 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048890021 1218336704 /nfs/dbraw/zinc/33/67/04/1218336704.db2.gz DHVKVZFPCQZRRD-NKGKWGDASA-N 2 1 359.474 0.394 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048890021 1218336709 /nfs/dbraw/zinc/33/67/09/1218336709.db2.gz DHVKVZFPCQZRRD-NKGKWGDASA-N 2 1 359.474 0.394 20 0 FCADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903770847 1218521974 /nfs/dbraw/zinc/52/19/74/1218521974.db2.gz ZKXZAFJLYYHKBH-CBZIJGRNSA-N 2 1 361.490 0.803 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097215437 1218723362 /nfs/dbraw/zinc/72/33/62/1218723362.db2.gz XYPHDNVIYOVYKW-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097215437 1218723367 /nfs/dbraw/zinc/72/33/67/1218723367.db2.gz XYPHDNVIYOVYKW-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001097215437 1218723372 /nfs/dbraw/zinc/72/33/72/1218723372.db2.gz XYPHDNVIYOVYKW-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001097215437 1218723377 /nfs/dbraw/zinc/72/33/77/1218723377.db2.gz XYPHDNVIYOVYKW-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001097549233 1218817257 /nfs/dbraw/zinc/81/72/57/1218817257.db2.gz JCRBVHVMQJULOR-MXASKKJJSA-N 2 1 353.426 0.900 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)C1=O ZINC001097549233 1218817258 /nfs/dbraw/zinc/81/72/58/1218817258.db2.gz JCRBVHVMQJULOR-MXASKKJJSA-N 2 1 353.426 0.900 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001097551665 1218817797 /nfs/dbraw/zinc/81/77/97/1218817797.db2.gz QMCAAROIYOXYBP-ZACQAIPSSA-N 2 1 359.474 0.926 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001097551665 1218817798 /nfs/dbraw/zinc/81/77/98/1218817798.db2.gz QMCAAROIYOXYBP-ZACQAIPSSA-N 2 1 359.474 0.926 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581027 1218824274 /nfs/dbraw/zinc/82/42/74/1218824274.db2.gz MMNFJUYQTOHASP-UWIFEVILSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581027 1218824275 /nfs/dbraw/zinc/82/42/75/1218824275.db2.gz MMNFJUYQTOHASP-UWIFEVILSA-N 2 1 358.486 1.000 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111453969 1218837591 /nfs/dbraw/zinc/83/75/91/1218837591.db2.gz FRXSJBTXQOSKFR-ZACQAIPSSA-N 2 1 363.506 0.609 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001097778896 1218845097 /nfs/dbraw/zinc/84/50/97/1218845097.db2.gz ABBWKILFCOVZKW-TVFCKZIOSA-N 2 1 361.490 0.307 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001055510370 1219062420 /nfs/dbraw/zinc/06/24/20/1219062420.db2.gz INEGXVLFFTUWBS-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804051103 1219103718 /nfs/dbraw/zinc/10/37/18/1219103718.db2.gz NEDUCXRAWAHLAT-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804051103 1219103727 /nfs/dbraw/zinc/10/37/27/1219103727.db2.gz NEDUCXRAWAHLAT-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804051103 1219103737 /nfs/dbraw/zinc/10/37/37/1219103737.db2.gz NEDUCXRAWAHLAT-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059051 1219112629 /nfs/dbraw/zinc/11/26/29/1219112629.db2.gz JWUHPNZQGDQOLK-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804058229 1219113037 /nfs/dbraw/zinc/11/30/37/1219113037.db2.gz UFZSGOUXSCWJJU-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070098462 1219170073 /nfs/dbraw/zinc/17/00/73/1219170073.db2.gz ANTAEUNUIBFMNR-BBWFWOEESA-N 2 1 362.478 0.285 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070098462 1219170082 /nfs/dbraw/zinc/17/00/82/1219170082.db2.gz ANTAEUNUIBFMNR-BBWFWOEESA-N 2 1 362.478 0.285 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100242 1219173958 /nfs/dbraw/zinc/17/39/58/1219173958.db2.gz LMKCFOKYDLTXPW-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100242 1219173964 /nfs/dbraw/zinc/17/39/64/1219173964.db2.gz LMKCFOKYDLTXPW-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100242 1219173969 /nfs/dbraw/zinc/17/39/69/1219173969.db2.gz LMKCFOKYDLTXPW-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)C1 ZINC001070100242 1219173975 /nfs/dbraw/zinc/17/39/75/1219173975.db2.gz LMKCFOKYDLTXPW-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070219638 1219300919 /nfs/dbraw/zinc/30/09/19/1219300919.db2.gz ATQWFOJVDUBGGZ-KURKYZTESA-N 2 1 369.473 0.699 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070219638 1219300924 /nfs/dbraw/zinc/30/09/24/1219300924.db2.gz ATQWFOJVDUBGGZ-KURKYZTESA-N 2 1 369.473 0.699 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)no1 ZINC001070224131 1219305086 /nfs/dbraw/zinc/30/50/86/1219305086.db2.gz OQTOWWYUGXWGQC-CVEARBPZSA-N 2 1 359.434 0.393 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070295027 1219355549 /nfs/dbraw/zinc/35/55/49/1219355549.db2.gz HQFWEVVGLAQNNJ-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)o1 ZINC001070327048 1219377127 /nfs/dbraw/zinc/37/71/27/1219377127.db2.gz PHDHUNUWQCIQEF-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)o1 ZINC001070327048 1219377131 /nfs/dbraw/zinc/37/71/31/1219377131.db2.gz PHDHUNUWQCIQEF-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc3c[nH+]cn3c2)[nH]1 ZINC001070354813 1219392354 /nfs/dbraw/zinc/39/23/54/1219392354.db2.gz WSUALVOFDSBXFG-GJZGRUSLSA-N 2 1 369.429 0.864 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCCO)C2)CC[N@H+]1C ZINC001070411200 1219409167 /nfs/dbraw/zinc/40/91/67/1219409167.db2.gz GIPLSPNZTIDVIP-HYVNUMGLSA-N 2 1 363.506 0.928 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCCO)C2)CC[NH+]1C ZINC001070411200 1219409169 /nfs/dbraw/zinc/40/91/69/1219409169.db2.gz GIPLSPNZTIDVIP-HYVNUMGLSA-N 2 1 363.506 0.928 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CCCO)C2)CC[NH+]1C ZINC001070411200 1219409171 /nfs/dbraw/zinc/40/91/71/1219409171.db2.gz GIPLSPNZTIDVIP-HYVNUMGLSA-N 2 1 363.506 0.928 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070475636 1219427112 /nfs/dbraw/zinc/42/71/12/1219427112.db2.gz YSJGVNSRKNZPIL-USXIJHARSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070475636 1219427114 /nfs/dbraw/zinc/42/71/14/1219427114.db2.gz YSJGVNSRKNZPIL-USXIJHARSA-N 2 1 371.489 0.332 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001227957500 1225892236 /nfs/dbraw/zinc/89/22/36/1225892236.db2.gz JRCSFQJQHNLFRF-RBSFLKMASA-N 2 1 360.462 0.526 20 0 FCADMP COc1ccnc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277261521 1225893758 /nfs/dbraw/zinc/89/37/58/1225893758.db2.gz XQTYVIPTVANDOM-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070564192 1219471551 /nfs/dbraw/zinc/47/15/51/1219471551.db2.gz ZMCIGJJYSPODPK-YQQAZPJKSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070564192 1219471552 /nfs/dbraw/zinc/47/15/52/1219471552.db2.gz ZMCIGJJYSPODPK-YQQAZPJKSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070564102 1219471632 /nfs/dbraw/zinc/47/16/32/1219471632.db2.gz VGAQDUQXAJIGRO-SOLBZPMBSA-N 2 1 371.489 0.153 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070566238 1219472828 /nfs/dbraw/zinc/47/28/28/1219472828.db2.gz GTTYYGGAOQCEBU-CGTJXYLNSA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070566238 1219472831 /nfs/dbraw/zinc/47/28/31/1219472831.db2.gz GTTYYGGAOQCEBU-CGTJXYLNSA-N 2 1 361.490 0.435 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)n[nH]2)O1 ZINC001070574235 1219475938 /nfs/dbraw/zinc/47/59/38/1219475938.db2.gz GZOCRDCYOOHDSN-RRFJBIMHSA-N 2 1 362.478 0.592 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)n[nH]2)O1 ZINC001070574237 1219476187 /nfs/dbraw/zinc/47/61/87/1219476187.db2.gz GZOCRDCYOOHDSN-SOUVJXGZSA-N 2 1 362.478 0.592 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070655336 1219509588 /nfs/dbraw/zinc/50/95/88/1219509588.db2.gz HCRXTWOWBJDKFK-BRWVUGGUSA-N 2 1 363.506 0.559 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070655224 1219509985 /nfs/dbraw/zinc/50/99/85/1219509985.db2.gz AOWYBLINTUOZJY-GVDBMIGSSA-N 2 1 363.506 0.274 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070924907 1219582566 /nfs/dbraw/zinc/58/25/66/1219582566.db2.gz XWIPBVCZCJACQG-BBWFWOEESA-N 2 1 362.474 0.598 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071104103 1219608081 /nfs/dbraw/zinc/60/80/81/1219608081.db2.gz KDJQQLOYDJFKEP-AEFFLSMTSA-N 2 1 363.462 0.651 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072751760 1219621573 /nfs/dbraw/zinc/62/15/73/1219621573.db2.gz CHCMLLLUVUKRPT-HZPDHXFCSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072751760 1219621575 /nfs/dbraw/zinc/62/15/75/1219621575.db2.gz CHCMLLLUVUKRPT-HZPDHXFCSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072751760 1219621577 /nfs/dbraw/zinc/62/15/77/1219621577.db2.gz CHCMLLLUVUKRPT-HZPDHXFCSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072751760 1219621579 /nfs/dbraw/zinc/62/15/79/1219621579.db2.gz CHCMLLLUVUKRPT-HZPDHXFCSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[N@H+](CCF)CCCO2)CC1 ZINC001073605098 1219671417 /nfs/dbraw/zinc/67/14/17/1219671417.db2.gz AMNPYPSXRVCNJI-KURKYZTESA-N 2 1 371.497 0.910 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[N@@H+](CCF)CCCO2)CC1 ZINC001073605098 1219671418 /nfs/dbraw/zinc/67/14/18/1219671418.db2.gz AMNPYPSXRVCNJI-KURKYZTESA-N 2 1 371.497 0.910 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001098224779 1219743842 /nfs/dbraw/zinc/74/38/42/1219743842.db2.gz FHOSZNZVXPRACX-QXSJWSMHSA-N 2 1 356.474 0.583 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001098225144 1219744072 /nfs/dbraw/zinc/74/40/72/1219744072.db2.gz WJEDEGJUPRRRIK-ZACQAIPSSA-N 2 1 360.502 0.816 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)C[C@@H](O)COC)CC2)CC[N@H+]1C ZINC001098370905 1219767769 /nfs/dbraw/zinc/76/77/69/1219767769.db2.gz BCUQKLBLVTVBAV-FGTMMUONSA-N 2 1 371.522 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CCO)C[C@@H](O)COC)CC2)CC[NH+]1C ZINC001098370905 1219767774 /nfs/dbraw/zinc/76/77/74/1219767774.db2.gz BCUQKLBLVTVBAV-FGTMMUONSA-N 2 1 371.522 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CCO)C[C@@H](O)COC)CC2)CC[NH+]1C ZINC001098370905 1219767777 /nfs/dbraw/zinc/76/77/77/1219767777.db2.gz BCUQKLBLVTVBAV-FGTMMUONSA-N 2 1 371.522 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)C[C@H](O)COC)CC2)CC[N@H+]1C ZINC001098370912 1219767941 /nfs/dbraw/zinc/76/79/41/1219767941.db2.gz BCUQKLBLVTVBAV-OKZBNKHCSA-N 2 1 371.522 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CCO)C[C@H](O)COC)CC2)CC[NH+]1C ZINC001098370912 1219767943 /nfs/dbraw/zinc/76/79/43/1219767943.db2.gz BCUQKLBLVTVBAV-OKZBNKHCSA-N 2 1 371.522 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CCO)C[C@H](O)COC)CC2)CC[NH+]1C ZINC001098370912 1219767946 /nfs/dbraw/zinc/76/79/46/1219767946.db2.gz BCUQKLBLVTVBAV-OKZBNKHCSA-N 2 1 371.522 0.009 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001098371426 1219767998 /nfs/dbraw/zinc/76/79/98/1219767998.db2.gz QBTPDXBQUIJHST-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3ccnn3C)CC2)CC[NH+]1C ZINC001098371426 1219768001 /nfs/dbraw/zinc/76/80/01/1219768001.db2.gz QBTPDXBQUIJHST-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3ccnn3C)CC2)CC[NH+]1C ZINC001098371426 1219768004 /nfs/dbraw/zinc/76/80/04/1219768004.db2.gz QBTPDXBQUIJHST-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001098464236 1219788174 /nfs/dbraw/zinc/78/81/74/1219788174.db2.gz RHCSEHKOBICADU-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001098464236 1219788178 /nfs/dbraw/zinc/78/81/78/1219788178.db2.gz RHCSEHKOBICADU-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001098464236 1219788180 /nfs/dbraw/zinc/78/81/80/1219788180.db2.gz RHCSEHKOBICADU-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001098464236 1219788184 /nfs/dbraw/zinc/78/81/84/1219788184.db2.gz RHCSEHKOBICADU-WCXIOVBPSA-N 2 1 363.506 0.608 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCCC2)C3)C1 ZINC001099029664 1219892108 /nfs/dbraw/zinc/89/21/08/1219892108.db2.gz HYOPRXIQNQWREX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099029664 1219892110 /nfs/dbraw/zinc/89/21/10/1219892110.db2.gz HYOPRXIQNQWREX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCCC2)C3)C1 ZINC001099029664 1219892114 /nfs/dbraw/zinc/89/21/14/1219892114.db2.gz HYOPRXIQNQWREX-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122911 1219921883 /nfs/dbraw/zinc/92/18/83/1219921883.db2.gz KQSQOABGQCGIDX-SIFCLUCFSA-N 2 1 360.502 0.720 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001099163243 1219937160 /nfs/dbraw/zinc/93/71/60/1219937160.db2.gz NQGQWMQNPNNDAJ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001099163243 1219937164 /nfs/dbraw/zinc/93/71/64/1219937164.db2.gz NQGQWMQNPNNDAJ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099279521 1219960582 /nfs/dbraw/zinc/96/05/82/1219960582.db2.gz IMWDHNBCTQLPSO-CHWSQXEVSA-N 2 1 371.367 0.462 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)C1 ZINC001099500636 1220016560 /nfs/dbraw/zinc/01/65/60/1220016560.db2.gz ZMDOOBLRWUWIHE-GJYPPUQNSA-N 2 1 360.506 0.875 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228618204 1225936663 /nfs/dbraw/zinc/93/66/63/1225936663.db2.gz GPZQGFUJQNPRPD-ZIAGYGMSSA-N 2 1 367.494 0.191 20 0 FCADMP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099525873 1220023857 /nfs/dbraw/zinc/02/38/57/1220023857.db2.gz DGRHRLSYDBYAGY-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001228623699 1225937330 /nfs/dbraw/zinc/93/73/30/1225937330.db2.gz HMDKPENGOWESMP-RBSFLKMASA-N 2 1 366.506 0.787 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001228624500 1225938101 /nfs/dbraw/zinc/93/81/01/1225938101.db2.gz ZIVOYHWOERFIDV-BFHYXJOUSA-N 2 1 367.494 0.319 20 0 FCADMP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000758263119 1220210391 /nfs/dbraw/zinc/21/03/91/1220210391.db2.gz GYVHVGKWZZMSAI-INIZCTEOSA-N 2 1 366.506 0.315 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267574 1220256054 /nfs/dbraw/zinc/25/60/54/1220256054.db2.gz KSGNRFXWWAXFCV-AOIWGVFYSA-N 2 1 363.506 0.630 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267574 1220256058 /nfs/dbraw/zinc/25/60/58/1220256058.db2.gz KSGNRFXWWAXFCV-AOIWGVFYSA-N 2 1 363.506 0.630 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CCC1 ZINC001101267850 1220256539 /nfs/dbraw/zinc/25/65/39/1220256539.db2.gz VIWHWCRKFIZCRF-APWZRJJASA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267831 1220256766 /nfs/dbraw/zinc/25/67/66/1220256766.db2.gz UMYYNCISJKPMGU-KPFFTGBYSA-N 2 1 364.534 0.974 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285248 1220267046 /nfs/dbraw/zinc/26/70/46/1220267046.db2.gz URZQOGCBYOKITR-VFVRVIDISA-N 2 1 367.494 0.080 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285248 1220267048 /nfs/dbraw/zinc/26/70/48/1220267048.db2.gz URZQOGCBYOKITR-VFVRVIDISA-N 2 1 367.494 0.080 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101285248 1220267053 /nfs/dbraw/zinc/26/70/53/1220267053.db2.gz URZQOGCBYOKITR-VFVRVIDISA-N 2 1 367.494 0.080 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101299951 1220275707 /nfs/dbraw/zinc/27/57/07/1220275707.db2.gz ALSSBMRFNQZLSK-APWZRJJASA-N 2 1 359.474 0.498 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101299951 1220275712 /nfs/dbraw/zinc/27/57/12/1220275712.db2.gz ALSSBMRFNQZLSK-APWZRJJASA-N 2 1 359.474 0.498 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305135 1220278399 /nfs/dbraw/zinc/27/83/99/1220278399.db2.gz GTACEGKZYBHGLS-RMQWMXHSSA-N 2 1 363.502 0.666 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305135 1220278402 /nfs/dbraw/zinc/27/84/02/1220278402.db2.gz GTACEGKZYBHGLS-RMQWMXHSSA-N 2 1 363.502 0.666 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305135 1220278405 /nfs/dbraw/zinc/27/84/05/1220278405.db2.gz GTACEGKZYBHGLS-RMQWMXHSSA-N 2 1 363.502 0.666 20 0 FCADMP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)nn1 ZINC001101342074 1220295263 /nfs/dbraw/zinc/29/52/63/1220295263.db2.gz XYHVNDIXWWLPHA-QAPCUYQASA-N 2 1 360.506 0.920 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)nn1 ZINC001101342074 1220295264 /nfs/dbraw/zinc/29/52/64/1220295264.db2.gz XYHVNDIXWWLPHA-QAPCUYQASA-N 2 1 360.506 0.920 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3noc4c3COCC4)C[C@@]2(C)C1 ZINC001101351817 1220298136 /nfs/dbraw/zinc/29/81/36/1220298136.db2.gz NEOGDTYURJBIQS-KUHUBIRLSA-N 2 1 362.474 0.979 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@@]2(C)C1 ZINC001101351817 1220298142 /nfs/dbraw/zinc/29/81/42/1220298142.db2.gz NEOGDTYURJBIQS-KUHUBIRLSA-N 2 1 362.474 0.979 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400330 1220323803 /nfs/dbraw/zinc/32/38/03/1220323803.db2.gz RGBRXQJAQPILIF-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP C[C@@H](c1ncccn1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432221 1220341636 /nfs/dbraw/zinc/34/16/36/1220341636.db2.gz IAAFQRCFWULABJ-FCEWJHQRSA-N 2 1 361.490 0.896 20 0 FCADMP C[C@@H](c1ncccn1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432221 1220341641 /nfs/dbraw/zinc/34/16/41/1220341641.db2.gz IAAFQRCFWULABJ-FCEWJHQRSA-N 2 1 361.490 0.896 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432449 1220341674 /nfs/dbraw/zinc/34/16/74/1220341674.db2.gz SHSZRUDOGGQWBH-MDZRGWNJSA-N 2 1 368.522 0.260 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432204 1220341727 /nfs/dbraw/zinc/34/17/27/1220341727.db2.gz HHRFUKRSKNQODW-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432204 1220341730 /nfs/dbraw/zinc/34/17/30/1220341730.db2.gz HHRFUKRSKNQODW-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@@]3(C)C2)C1 ZINC001101432204 1220341734 /nfs/dbraw/zinc/34/17/34/1220341734.db2.gz HHRFUKRSKNQODW-HLIPFELVSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432646 1220342439 /nfs/dbraw/zinc/34/24/39/1220342439.db2.gz WTTXTRFRKMXNJT-FCEWJHQRSA-N 2 1 361.490 0.896 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101440702 1220346750 /nfs/dbraw/zinc/34/67/50/1220346750.db2.gz RHNJXVHKVBPHKL-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101440702 1220346755 /nfs/dbraw/zinc/34/67/55/1220346755.db2.gz RHNJXVHKVBPHKL-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101440702 1220346759 /nfs/dbraw/zinc/34/67/59/1220346759.db2.gz RHNJXVHKVBPHKL-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP C[N@H+](CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487351 1220372216 /nfs/dbraw/zinc/37/22/16/1220372216.db2.gz ZYOXULAFAHHEOS-OPYAIIAOSA-N 2 1 370.497 0.787 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487351 1220372218 /nfs/dbraw/zinc/37/22/18/1220372218.db2.gz ZYOXULAFAHHEOS-OPYAIIAOSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487351 1220372221 /nfs/dbraw/zinc/37/22/21/1220372221.db2.gz ZYOXULAFAHHEOS-OPYAIIAOSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)Cc1ccccc1 ZINC001101487351 1220372225 /nfs/dbraw/zinc/37/22/25/1220372225.db2.gz ZYOXULAFAHHEOS-OPYAIIAOSA-N 2 1 370.497 0.787 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045221 1220475974 /nfs/dbraw/zinc/47/59/74/1220475974.db2.gz XMWZCBFKYIZBCE-OAGGEKHMSA-N 2 1 361.490 0.923 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045221 1220475977 /nfs/dbraw/zinc/47/59/77/1220475977.db2.gz XMWZCBFKYIZBCE-OAGGEKHMSA-N 2 1 361.490 0.923 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045963 1220476095 /nfs/dbraw/zinc/47/60/95/1220476095.db2.gz FAFZBYOINKBLQO-ZACQAIPSSA-N 2 1 371.522 0.179 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046161 1220477376 /nfs/dbraw/zinc/47/73/76/1220477376.db2.gz PVSBGRDLQDPPFP-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048814 1220477394 /nfs/dbraw/zinc/47/73/94/1220477394.db2.gz PPLDACFBJCKCCI-ZTFGCOKTSA-N 2 1 368.522 0.163 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102155979 1220528411 /nfs/dbraw/zinc/52/84/11/1220528411.db2.gz HURKEDXSNZRVDO-GDBMZVCRSA-N 2 1 364.494 0.583 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102155979 1220528412 /nfs/dbraw/zinc/52/84/12/1220528412.db2.gz HURKEDXSNZRVDO-GDBMZVCRSA-N 2 1 364.494 0.583 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102157906 1220530077 /nfs/dbraw/zinc/53/00/77/1220530077.db2.gz UDUXATCSEDHIFA-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102157906 1220530083 /nfs/dbraw/zinc/53/00/83/1220530083.db2.gz UDUXATCSEDHIFA-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171394 1220533720 /nfs/dbraw/zinc/53/37/20/1220533720.db2.gz VQHXENYRMYZWPP-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171394 1220533728 /nfs/dbraw/zinc/53/37/28/1220533728.db2.gz VQHXENYRMYZWPP-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP CCOCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171394 1220533737 /nfs/dbraw/zinc/53/37/37/1220533737.db2.gz VQHXENYRMYZWPP-MJQPBPLVSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292512 1220576491 /nfs/dbraw/zinc/57/64/91/1220576491.db2.gz QTHXJDUNEBIXDJ-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292512 1220576503 /nfs/dbraw/zinc/57/65/03/1220576503.db2.gz QTHXJDUNEBIXDJ-HUUCEWRRSA-N 2 1 364.494 0.334 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312724 1220582956 /nfs/dbraw/zinc/58/29/56/1220582956.db2.gz KGQGDCZOSXNNGW-NXHRZFHOSA-N 2 1 371.522 0.036 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102337857 1220586458 /nfs/dbraw/zinc/58/64/58/1220586458.db2.gz WECMGWSTYUUTAA-IIAWOOMASA-N 2 1 366.510 0.906 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102337857 1220586460 /nfs/dbraw/zinc/58/64/60/1220586460.db2.gz WECMGWSTYUUTAA-IIAWOOMASA-N 2 1 366.510 0.906 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366453 1220593624 /nfs/dbraw/zinc/59/36/24/1220593624.db2.gz FWGDFJSUYYBGFW-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366453 1220593626 /nfs/dbraw/zinc/59/36/26/1220593626.db2.gz FWGDFJSUYYBGFW-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366453 1220593629 /nfs/dbraw/zinc/59/36/29/1220593629.db2.gz FWGDFJSUYYBGFW-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366552 1220594258 /nfs/dbraw/zinc/59/42/58/1220594258.db2.gz JFPLDHHTMKKBDN-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366552 1220594260 /nfs/dbraw/zinc/59/42/60/1220594260.db2.gz JFPLDHHTMKKBDN-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366552 1220594264 /nfs/dbraw/zinc/59/42/64/1220594264.db2.gz JFPLDHHTMKKBDN-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433563 1220623436 /nfs/dbraw/zinc/62/34/36/1220623436.db2.gz AADWBZSJRJPFPN-BMFZPTHFSA-N 2 1 364.490 0.208 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229110005 1225980846 /nfs/dbraw/zinc/98/08/46/1225980846.db2.gz LIHPFVHZTCQOML-ZIAGYGMSSA-N 2 1 364.450 0.184 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466718 1220637313 /nfs/dbraw/zinc/63/73/13/1220637313.db2.gz TXIBCXRLNQSGBE-KURKYZTESA-N 2 1 371.522 0.180 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466718 1220637316 /nfs/dbraw/zinc/63/73/16/1220637316.db2.gz TXIBCXRLNQSGBE-KURKYZTESA-N 2 1 371.522 0.180 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)cn1 ZINC001102468506 1220638491 /nfs/dbraw/zinc/63/84/91/1220638491.db2.gz LVPZMLBZWRKERM-CRAIPNDOSA-N 2 1 361.490 0.691 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)cn1 ZINC001102468506 1220638494 /nfs/dbraw/zinc/63/84/94/1220638494.db2.gz LVPZMLBZWRKERM-CRAIPNDOSA-N 2 1 361.490 0.691 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102473644 1220644040 /nfs/dbraw/zinc/64/40/40/1220644040.db2.gz JPCSYOIXBRZXNS-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102475295 1220644834 /nfs/dbraw/zinc/64/48/34/1220644834.db2.gz HTNSEFHOKVPAKW-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496157 1220657021 /nfs/dbraw/zinc/65/70/21/1220657021.db2.gz HGAODQUKSQIPLW-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496157 1220657024 /nfs/dbraw/zinc/65/70/24/1220657024.db2.gz HGAODQUKSQIPLW-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496157 1220657025 /nfs/dbraw/zinc/65/70/25/1220657025.db2.gz HGAODQUKSQIPLW-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001229142636 1225983187 /nfs/dbraw/zinc/98/31/87/1225983187.db2.gz WXDFVGONQBIJIY-BRWVUGGUSA-N 2 1 368.522 0.770 20 0 FCADMP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001229142674 1225983364 /nfs/dbraw/zinc/98/33/64/1225983364.db2.gz XZJLYPOLTDMGMI-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141684 1225983410 /nfs/dbraw/zinc/98/34/10/1225983410.db2.gz HSHITSSDSIYYIJ-GVDBMIGSSA-N 2 1 368.522 0.640 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1 ZINC001102511207 1220670449 /nfs/dbraw/zinc/67/04/49/1220670449.db2.gz NMVSAYCZEKSBCJ-HUUCEWRRSA-N 2 1 365.478 0.248 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520526 1220678296 /nfs/dbraw/zinc/67/82/96/1220678296.db2.gz OEUFEQGUHSNFIO-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579669 1220701112 /nfs/dbraw/zinc/70/11/12/1220701112.db2.gz JEEMSNLAWWRSGW-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580306 1220702595 /nfs/dbraw/zinc/70/25/95/1220702595.db2.gz PWKHJFRJCXSXTL-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580306 1220702601 /nfs/dbraw/zinc/70/26/01/1220702601.db2.gz PWKHJFRJCXSXTL-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580832 1220703245 /nfs/dbraw/zinc/70/32/45/1220703245.db2.gz NKBQUJBQSYIRTC-BRWVUGGUSA-N 2 1 363.506 0.573 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589006 1220712274 /nfs/dbraw/zinc/71/22/74/1220712274.db2.gz UCUOXBMJGKHSBV-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589006 1220712284 /nfs/dbraw/zinc/71/22/84/1220712284.db2.gz UCUOXBMJGKHSBV-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102589006 1220712295 /nfs/dbraw/zinc/71/22/95/1220712295.db2.gz UCUOXBMJGKHSBV-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102589006 1220712299 /nfs/dbraw/zinc/71/22/99/1220712299.db2.gz UCUOXBMJGKHSBV-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781839 1220781373 /nfs/dbraw/zinc/78/13/73/1220781373.db2.gz CPOJVMQDVXWCCN-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781839 1220781375 /nfs/dbraw/zinc/78/13/75/1220781375.db2.gz CPOJVMQDVXWCCN-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102781839 1220781378 /nfs/dbraw/zinc/78/13/78/1220781378.db2.gz CPOJVMQDVXWCCN-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102781839 1220781381 /nfs/dbraw/zinc/78/13/81/1220781381.db2.gz CPOJVMQDVXWCCN-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819404 1220791201 /nfs/dbraw/zinc/79/12/01/1220791201.db2.gz SLSKZYSVOYMJTP-FMKPAKJESA-N 2 1 366.462 0.588 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819404 1220791202 /nfs/dbraw/zinc/79/12/02/1220791202.db2.gz SLSKZYSVOYMJTP-FMKPAKJESA-N 2 1 366.462 0.588 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC001102819404 1220791203 /nfs/dbraw/zinc/79/12/03/1220791203.db2.gz SLSKZYSVOYMJTP-FMKPAKJESA-N 2 1 366.462 0.588 20 0 FCADMP COc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001102819404 1220791206 /nfs/dbraw/zinc/79/12/06/1220791206.db2.gz SLSKZYSVOYMJTP-FMKPAKJESA-N 2 1 366.462 0.588 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001103219065 1220852410 /nfs/dbraw/zinc/85/24/10/1220852410.db2.gz NNJYKKUYGCABJU-ZIAGYGMSSA-N 2 1 356.430 0.440 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237200 1220854685 /nfs/dbraw/zinc/85/46/85/1220854685.db2.gz LOHRDXZXAUPZEQ-HUUCEWRRSA-N 2 1 361.490 0.582 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237200 1220854686 /nfs/dbraw/zinc/85/46/86/1220854686.db2.gz LOHRDXZXAUPZEQ-HUUCEWRRSA-N 2 1 361.490 0.582 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550191 1220899705 /nfs/dbraw/zinc/89/97/05/1220899705.db2.gz DDWOAURHEFMIAB-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612669 1220913229 /nfs/dbraw/zinc/91/32/29/1220913229.db2.gz OWPVMAXBDPMGMH-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612669 1220913233 /nfs/dbraw/zinc/91/32/33/1220913233.db2.gz OWPVMAXBDPMGMH-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612669 1220913236 /nfs/dbraw/zinc/91/32/36/1220913236.db2.gz OWPVMAXBDPMGMH-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612669 1220913238 /nfs/dbraw/zinc/91/32/38/1220913238.db2.gz OWPVMAXBDPMGMH-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001103643792 1220925740 /nfs/dbraw/zinc/92/57/40/1220925740.db2.gz QMTQCTLKYUWEFE-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103665689 1220933291 /nfs/dbraw/zinc/93/32/91/1220933291.db2.gz PSYPHUBVLTXPHN-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103665689 1220933297 /nfs/dbraw/zinc/93/32/97/1220933297.db2.gz PSYPHUBVLTXPHN-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103665689 1220933302 /nfs/dbraw/zinc/93/33/02/1220933302.db2.gz PSYPHUBVLTXPHN-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718891 1220950044 /nfs/dbraw/zinc/95/00/44/1220950044.db2.gz JDIXIARQAFDAFU-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718891 1220950055 /nfs/dbraw/zinc/95/00/55/1220950055.db2.gz JDIXIARQAFDAFU-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718891 1220950064 /nfs/dbraw/zinc/95/00/64/1220950064.db2.gz JDIXIARQAFDAFU-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718891 1220950073 /nfs/dbraw/zinc/95/00/73/1220950073.db2.gz JDIXIARQAFDAFU-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP 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Cc1nn(C)cc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033661 1221000295 /nfs/dbraw/zinc/00/02/95/1221000295.db2.gz BLMUXRNUQVDNEY-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1nn(C)cc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033661 1221000302 /nfs/dbraw/zinc/00/03/02/1221000302.db2.gz BLMUXRNUQVDNEY-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104032306 1221000644 /nfs/dbraw/zinc/00/06/44/1221000644.db2.gz PWFJJRSJBXGPFT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104032306 1221000647 /nfs/dbraw/zinc/00/06/47/1221000647.db2.gz PWFJJRSJBXGPFT-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104034252 1221001422 /nfs/dbraw/zinc/00/14/22/1221001422.db2.gz ZXPGKBOHYNHMRR-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104034252 1221001425 /nfs/dbraw/zinc/00/14/25/1221001425.db2.gz ZXPGKBOHYNHMRR-NUJGCVRESA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001104211040 1221022486 /nfs/dbraw/zinc/02/24/86/1221022486.db2.gz OBVVUSSAVHMEJW-QBPKDAKJSA-N 2 1 365.522 0.426 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658614 1221055683 /nfs/dbraw/zinc/05/56/83/1221055683.db2.gz HXLRQVHGWIFNKP-LNLFQRSKSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658614 1221055687 /nfs/dbraw/zinc/05/56/87/1221055687.db2.gz HXLRQVHGWIFNKP-LNLFQRSKSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658614 1221055691 /nfs/dbraw/zinc/05/56/91/1221055691.db2.gz HXLRQVHGWIFNKP-LNLFQRSKSA-N 2 1 366.506 0.204 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658614 1221055694 /nfs/dbraw/zinc/05/56/94/1221055694.db2.gz HXLRQVHGWIFNKP-LNLFQRSKSA-N 2 1 366.506 0.204 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751468 1221088863 /nfs/dbraw/zinc/08/88/63/1221088863.db2.gz XCVOYUAKCSLFNJ-ZWOKBUDYSA-N 2 1 362.518 0.777 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001111767260 1221098598 /nfs/dbraw/zinc/09/85/98/1221098598.db2.gz VYEMIDROWGKSFX-QOKNQOGYSA-N 2 1 368.497 0.916 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111767260 1221098601 /nfs/dbraw/zinc/09/86/01/1221098601.db2.gz VYEMIDROWGKSFX-QOKNQOGYSA-N 2 1 368.497 0.916 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H]1CCCc2[nH+]ccn21 ZINC001111777282 1221103716 /nfs/dbraw/zinc/10/37/16/1221103716.db2.gz YDQZMZAVGCHKLQ-BXWFABGCSA-N 2 1 362.474 0.740 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H]1CCCc2[nH+]ccn21 ZINC001111777282 1221103718 /nfs/dbraw/zinc/10/37/18/1221103718.db2.gz YDQZMZAVGCHKLQ-BXWFABGCSA-N 2 1 362.474 0.740 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1CCCc2[nH+]ccn21 ZINC001111777283 1221104062 /nfs/dbraw/zinc/10/40/62/1221104062.db2.gz YDQZMZAVGCHKLQ-FCEWJHQRSA-N 2 1 362.474 0.740 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1CCCc2[nH+]ccn21 ZINC001111777283 1221104065 /nfs/dbraw/zinc/10/40/65/1221104065.db2.gz YDQZMZAVGCHKLQ-FCEWJHQRSA-N 2 1 362.474 0.740 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111799778 1221115358 /nfs/dbraw/zinc/11/53/58/1221115358.db2.gz HUDCXHIZJNXKFJ-WDYCEAGBSA-N 2 1 358.442 0.926 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001111938386 1221179669 /nfs/dbraw/zinc/17/96/69/1221179669.db2.gz YUOPJYVWLYROLU-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111938386 1221179672 /nfs/dbraw/zinc/17/96/72/1221179672.db2.gz YUOPJYVWLYROLU-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)C1 ZINC001111938386 1221179675 /nfs/dbraw/zinc/17/96/75/1221179675.db2.gz YUOPJYVWLYROLU-SYNHAJSKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947427 1221181484 /nfs/dbraw/zinc/18/14/84/1221181484.db2.gz IPWGBCTXDKPOBH-GLJUWKHASA-N 2 1 367.494 0.272 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983630 1221193399 /nfs/dbraw/zinc/19/33/99/1221193399.db2.gz NNNYHGBNOOSOPQ-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983630 1221193404 /nfs/dbraw/zinc/19/34/04/1221193404.db2.gz NNNYHGBNOOSOPQ-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983630 1221193408 /nfs/dbraw/zinc/19/34/08/1221193408.db2.gz NNNYHGBNOOSOPQ-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CCC2)C3)C1 ZINC001111983630 1221193412 /nfs/dbraw/zinc/19/34/12/1221193412.db2.gz NNNYHGBNOOSOPQ-ZWOKBUDYSA-N 2 1 362.518 0.825 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009833 1221199427 /nfs/dbraw/zinc/19/94/27/1221199427.db2.gz WCRWPFKUDPMABJ-GLJUWKHASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009833 1221199429 /nfs/dbraw/zinc/19/94/29/1221199429.db2.gz WCRWPFKUDPMABJ-GLJUWKHASA-N 2 1 367.494 0.141 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009833 1221199430 /nfs/dbraw/zinc/19/94/30/1221199430.db2.gz WCRWPFKUDPMABJ-GLJUWKHASA-N 2 1 367.494 0.141 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291261 1221232776 /nfs/dbraw/zinc/23/27/76/1221232776.db2.gz CYTPYNXSFDSNPQ-FCEWJHQRSA-N 2 1 366.506 0.062 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291261 1221232778 /nfs/dbraw/zinc/23/27/78/1221232778.db2.gz CYTPYNXSFDSNPQ-FCEWJHQRSA-N 2 1 366.506 0.062 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291830 1221232785 /nfs/dbraw/zinc/23/27/85/1221232785.db2.gz ZYQQKLUSIROOGR-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291830 1221232786 /nfs/dbraw/zinc/23/27/86/1221232786.db2.gz ZYQQKLUSIROOGR-FCEWJHQRSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692893 1226027548 /nfs/dbraw/zinc/02/75/48/1226027548.db2.gz MFPQXESLIZCRJG-KZNAEPCWSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229837892 1226036623 /nfs/dbraw/zinc/03/66/23/1226036623.db2.gz ZRSUEEDEYLQYBK-HZPDHXFCSA-N 2 1 366.506 0.884 20 0 FCADMP Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001117076272 1221456490 /nfs/dbraw/zinc/45/64/90/1221456490.db2.gz NCQJOLLMYYXZPB-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001117076272 1221456495 /nfs/dbraw/zinc/45/64/95/1221456495.db2.gz NCQJOLLMYYXZPB-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001117076272 1221456500 /nfs/dbraw/zinc/45/65/00/1221456500.db2.gz NCQJOLLMYYXZPB-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC001117327809 1221519793 /nfs/dbraw/zinc/51/97/93/1221519793.db2.gz LSWMQRCXHICHBA-OAHLLOKOSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC001117327809 1221519800 /nfs/dbraw/zinc/51/98/00/1221519800.db2.gz LSWMQRCXHICHBA-OAHLLOKOSA-N 2 1 359.474 0.909 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001117359110 1221530829 /nfs/dbraw/zinc/53/08/29/1221530829.db2.gz GKGUAKLXABDKEN-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001117858448 1221633547 /nfs/dbraw/zinc/63/35/47/1221633547.db2.gz MGFBCGVZTALPFI-SJORKVTESA-N 2 1 366.506 0.251 20 0 FCADMP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001117858448 1221633550 /nfs/dbraw/zinc/63/35/50/1221633550.db2.gz MGFBCGVZTALPFI-SJORKVTESA-N 2 1 366.506 0.251 20 0 FCADMP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147892 1226058140 /nfs/dbraw/zinc/05/81/40/1226058140.db2.gz VXBNLMHFRAUMDW-BRWVUGGUSA-N 2 1 368.478 0.232 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC001117981682 1221676443 /nfs/dbraw/zinc/67/64/43/1221676443.db2.gz ZCARFDIQJLVASF-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)CC[NH2+]CC2 ZINC001118086390 1221707444 /nfs/dbraw/zinc/70/74/44/1221707444.db2.gz SJWBXJUGJKLKGQ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)C)C1 ZINC001230215816 1226064854 /nfs/dbraw/zinc/06/48/54/1226064854.db2.gz ZIVAYDWLAKKAKK-BRWVUGGUSA-N 2 1 368.522 0.496 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)C)C1 ZINC001230215816 1226064860 /nfs/dbraw/zinc/06/48/60/1226064860.db2.gz ZIVAYDWLAKKAKK-BRWVUGGUSA-N 2 1 368.522 0.496 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C(N)=O)c3ccccn3)CC2)CC1 ZINC001118317034 1221757549 /nfs/dbraw/zinc/75/75/49/1221757549.db2.gz HPWJLLISCOINFG-SFHVURJKSA-N 2 1 373.501 0.921 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230274775 1226071115 /nfs/dbraw/zinc/07/11/15/1226071115.db2.gz KZJLRDJWHXQBBR-GVDBMIGSSA-N 2 1 370.538 0.885 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001230284606 1226072127 /nfs/dbraw/zinc/07/21/27/1226072127.db2.gz NIMPJEHFJOAUEO-HUUCEWRRSA-N 2 1 362.478 0.772 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC001119724957 1221957454 /nfs/dbraw/zinc/95/74/54/1221957454.db2.gz DNEHFADIPMFBEZ-NVXWUHKLSA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC001119724957 1221957458 /nfs/dbraw/zinc/95/74/58/1221957458.db2.gz DNEHFADIPMFBEZ-NVXWUHKLSA-N 2 1 363.510 0.847 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC001119724957 1221957462 /nfs/dbraw/zinc/95/74/62/1221957462.db2.gz DNEHFADIPMFBEZ-NVXWUHKLSA-N 2 1 363.510 0.847 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCN1C ZINC001119809968 1221976520 /nfs/dbraw/zinc/97/65/20/1221976520.db2.gz IDRBLYMGTURSIX-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001119809968 1221976533 /nfs/dbraw/zinc/97/65/33/1221976533.db2.gz IDRBLYMGTURSIX-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001119809968 1221976539 /nfs/dbraw/zinc/97/65/39/1221976539.db2.gz IDRBLYMGTURSIX-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001119809968 1221976548 /nfs/dbraw/zinc/97/65/48/1221976548.db2.gz IDRBLYMGTURSIX-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001119809968 1221976551 /nfs/dbraw/zinc/97/65/51/1221976551.db2.gz IDRBLYMGTURSIX-NJAFHUGGSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001120030603 1222010769 /nfs/dbraw/zinc/01/07/69/1222010769.db2.gz DWIURXDJPLGZAX-KURKYZTESA-N 2 1 372.517 0.795 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001120030603 1222010774 /nfs/dbraw/zinc/01/07/74/1222010774.db2.gz DWIURXDJPLGZAX-KURKYZTESA-N 2 1 372.517 0.795 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001120702534 1222115203 /nfs/dbraw/zinc/11/52/03/1222115203.db2.gz FOFVKEPXFZOGOD-MRXNPFEDSA-N 2 1 364.494 0.620 20 0 FCADMP C[NH+]1CC[C@]2(CCN(c3ncnc(N4CC[C@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC001120935062 1222131109 /nfs/dbraw/zinc/13/11/09/1222131109.db2.gz NDMKKILVTGRBCL-OALUTQOASA-N 2 1 357.506 0.936 20 0 FCADMP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@H+]2C)(N2CCOCC2)CC1 ZINC001123625442 1222344843 /nfs/dbraw/zinc/34/48/43/1222344843.db2.gz SEVFONUWIGNWGX-KRWDZBQOSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001123637558 1222346032 /nfs/dbraw/zinc/34/60/32/1222346032.db2.gz VXKYFGAMDRFBSQ-INDMIFKZSA-N 2 1 363.550 0.392 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001139636699 1222554262 /nfs/dbraw/zinc/55/42/62/1222554262.db2.gz GUJOETYDVJOYKF-GASCZTMLSA-N 2 1 366.506 0.996 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001139636699 1222554266 /nfs/dbraw/zinc/55/42/66/1222554266.db2.gz GUJOETYDVJOYKF-GASCZTMLSA-N 2 1 366.506 0.996 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000834575545 1222579928 /nfs/dbraw/zinc/57/99/28/1222579928.db2.gz GMBWDDMBVLRIPX-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000834575545 1222579931 /nfs/dbraw/zinc/57/99/31/1222579931.db2.gz GMBWDDMBVLRIPX-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000834575545 1222579936 /nfs/dbraw/zinc/57/99/36/1222579936.db2.gz GMBWDDMBVLRIPX-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000834575545 1222579938 /nfs/dbraw/zinc/57/99/38/1222579938.db2.gz GMBWDDMBVLRIPX-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000834589699 1222580642 /nfs/dbraw/zinc/58/06/42/1222580642.db2.gz RXTNOLCPJLAKIS-XHSDSOJGSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000834589699 1222580647 /nfs/dbraw/zinc/58/06/47/1222580647.db2.gz RXTNOLCPJLAKIS-XHSDSOJGSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000834589699 1222580648 /nfs/dbraw/zinc/58/06/48/1222580648.db2.gz RXTNOLCPJLAKIS-XHSDSOJGSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000834589699 1222580650 /nfs/dbraw/zinc/58/06/50/1222580650.db2.gz RXTNOLCPJLAKIS-XHSDSOJGSA-N 2 1 366.506 0.155 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(CO)cnc(C)c3O)CC[C@@H]2C1 ZINC001140867437 1222618787 /nfs/dbraw/zinc/61/87/87/1222618787.db2.gz DWKFKLNMSQZOLR-CRAIPNDOSA-N 2 1 365.474 0.757 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(CO)cnc(C)c3O)CC[C@@H]2C1 ZINC001140867437 1222618790 /nfs/dbraw/zinc/61/87/90/1222618790.db2.gz DWKFKLNMSQZOLR-CRAIPNDOSA-N 2 1 365.474 0.757 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(CO)cnc(C)c3O)CC[C@@H]2C1 ZINC001140867437 1222618792 /nfs/dbraw/zinc/61/87/92/1222618792.db2.gz DWKFKLNMSQZOLR-CRAIPNDOSA-N 2 1 365.474 0.757 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1C[NH+](C)C ZINC000839483696 1222740956 /nfs/dbraw/zinc/74/09/56/1222740956.db2.gz FIDQGPGAVRFBER-ZWKOTPCHSA-N 2 1 374.485 0.975 20 0 FCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841208013 1222813803 /nfs/dbraw/zinc/81/38/03/1222813803.db2.gz WOQRTMQUNLZTJK-JKSUJKDBSA-N 2 1 373.501 0.976 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842011499 1222832519 /nfs/dbraw/zinc/83/25/19/1222832519.db2.gz PEAAMAAHRIXLOT-IEBWSBKVSA-N 2 1 362.474 0.253 20 0 FCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164664 1222838351 /nfs/dbraw/zinc/83/83/51/1222838351.db2.gz MGYRKXULOWAKRO-MSOLQXFVSA-N 2 1 374.485 0.343 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000843247560 1222863248 /nfs/dbraw/zinc/86/32/48/1222863248.db2.gz GLFCWFHQHISELS-IYBDPMFKSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000843247560 1222863252 /nfs/dbraw/zinc/86/32/52/1222863252.db2.gz GLFCWFHQHISELS-IYBDPMFKSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347545 1222871908 /nfs/dbraw/zinc/87/19/08/1222871908.db2.gz XARHSBXHHIIISM-ZIAGYGMSSA-N 2 1 365.478 0.864 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347545 1222871912 /nfs/dbraw/zinc/87/19/12/1222871912.db2.gz XARHSBXHHIIISM-ZIAGYGMSSA-N 2 1 365.478 0.864 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362571 1222873795 /nfs/dbraw/zinc/87/37/95/1222873795.db2.gz KFOSAVFICNSQRT-YOEHRIQHSA-N 2 1 360.458 0.911 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362571 1222873798 /nfs/dbraw/zinc/87/37/98/1222873798.db2.gz KFOSAVFICNSQRT-YOEHRIQHSA-N 2 1 360.458 0.911 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733903 1222888584 /nfs/dbraw/zinc/88/85/84/1222888584.db2.gz PJLRQDMYZITDDA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733903 1222888586 /nfs/dbraw/zinc/88/85/86/1222888586.db2.gz PJLRQDMYZITDDA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733903 1222888590 /nfs/dbraw/zinc/88/85/90/1222888590.db2.gz PJLRQDMYZITDDA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733903 1222888592 /nfs/dbraw/zinc/88/85/92/1222888592.db2.gz PJLRQDMYZITDDA-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703922 1226164159 /nfs/dbraw/zinc/16/41/59/1226164159.db2.gz ISTWFYDJLQGVJX-YLJYHZDGSA-N 2 1 361.486 0.912 20 0 FCADMP CC[N@H+](Cc1ccn(C)c(=O)c1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997870 1222999037 /nfs/dbraw/zinc/99/90/37/1222999037.db2.gz AXVBSBKGYQMHRK-BFYDXBDKSA-N 2 1 364.490 0.431 20 0 FCADMP CC[N@@H+](Cc1ccn(C)c(=O)c1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997870 1222999040 /nfs/dbraw/zinc/99/90/40/1222999040.db2.gz AXVBSBKGYQMHRK-BFYDXBDKSA-N 2 1 364.490 0.431 20 0 FCADMP CC[NH+](Cc1ccn(C)c(=O)c1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997870 1222999042 /nfs/dbraw/zinc/99/90/42/1222999042.db2.gz AXVBSBKGYQMHRK-BFYDXBDKSA-N 2 1 364.490 0.431 20 0 FCADMP CC[NH+](Cc1ccn(C)c(=O)c1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997870 1222999044 /nfs/dbraw/zinc/99/90/44/1222999044.db2.gz AXVBSBKGYQMHRK-BFYDXBDKSA-N 2 1 364.490 0.431 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992449 1223065137 /nfs/dbraw/zinc/06/51/37/1223065137.db2.gz LETDHLIBCXHKTI-QKNQBKEWSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992449 1223065143 /nfs/dbraw/zinc/06/51/43/1223065143.db2.gz LETDHLIBCXHKTI-QKNQBKEWSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992449 1223065145 /nfs/dbraw/zinc/06/51/45/1223065145.db2.gz LETDHLIBCXHKTI-QKNQBKEWSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992450 1223065233 /nfs/dbraw/zinc/06/52/33/1223065233.db2.gz LETDHLIBCXHKTI-ZJOUEHCJSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992450 1223065236 /nfs/dbraw/zinc/06/52/36/1223065236.db2.gz LETDHLIBCXHKTI-ZJOUEHCJSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992450 1223065240 /nfs/dbraw/zinc/06/52/40/1223065240.db2.gz LETDHLIBCXHKTI-ZJOUEHCJSA-N 2 1 373.497 0.681 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081928 1223067050 /nfs/dbraw/zinc/06/70/50/1223067050.db2.gz FXQFKAZVZSINDU-YEWWUXTCSA-N 2 1 364.446 0.549 20 0 FCADMP Nc1[nH]c2ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)cc2[nH+]1 ZINC001157404275 1223076162 /nfs/dbraw/zinc/07/61/62/1223076162.db2.gz OJUPGHAQNJAIJT-AWEZNQCLSA-N 2 1 358.446 0.995 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)COC1(C)C ZINC001157507971 1223077959 /nfs/dbraw/zinc/07/79/59/1223077959.db2.gz NAPYSCBYVDUSNW-UAGQMJEPSA-N 2 1 374.485 0.812 20 0 FCADMP CC(C)N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759215 1223107231 /nfs/dbraw/zinc/10/72/31/1223107231.db2.gz LIPXMSPQEFOPDJ-QGZVFWFLSA-N 2 1 372.517 0.780 20 0 FCADMP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001158959557 1223113876 /nfs/dbraw/zinc/11/38/76/1223113876.db2.gz RGNRUVRVLWVZGX-UHFFFAOYSA-N 2 1 363.462 0.381 20 0 FCADMP CC(=O)OC[C@H](N)C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159031591 1223115577 /nfs/dbraw/zinc/11/55/77/1223115577.db2.gz ZCMLVDLJRAHTEJ-INIZCTEOSA-N 2 1 365.430 0.363 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[C@H]3CCC[NH2+]C3)C2)C1 ZINC001159123312 1223117673 /nfs/dbraw/zinc/11/76/73/1223117673.db2.gz HJIQPOBEUUVOFI-VQIMIIECSA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[C@H]3CCC[NH2+]C3)C2)C1 ZINC001159123312 1223117676 /nfs/dbraw/zinc/11/76/76/1223117676.db2.gz HJIQPOBEUUVOFI-VQIMIIECSA-N 2 1 366.506 0.063 20 0 FCADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159116226 1223117736 /nfs/dbraw/zinc/11/77/36/1223117736.db2.gz JBGCCUWBTLSFGE-SJORKVTESA-N 2 1 361.490 0.197 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@](C)([NH3+])CC(C)C)C2)C1 ZINC001159128299 1223117763 /nfs/dbraw/zinc/11/77/63/1223117763.db2.gz YAJGULINJVIXQD-RTBURBONSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@](C)([NH3+])CC(C)C)C2)C1 ZINC001159128299 1223117765 /nfs/dbraw/zinc/11/77/65/1223117765.db2.gz YAJGULINJVIXQD-RTBURBONSA-N 2 1 368.522 0.437 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@H]2C ZINC001159633139 1223131730 /nfs/dbraw/zinc/13/17/30/1223131730.db2.gz GMRVPYHXTUKAPT-YOEHRIQHSA-N 3 1 362.522 0.953 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@H]2C ZINC001159633138 1223131858 /nfs/dbraw/zinc/13/18/58/1223131858.db2.gz GMRVPYHXTUKAPT-WMLDXEAASA-N 3 1 362.522 0.953 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666248 1223133016 /nfs/dbraw/zinc/13/30/16/1223133016.db2.gz PQWBDWVWOPWOOV-DLBZAZTESA-N 2 1 374.489 0.537 20 0 FCADMP CNC(=O)N[C@@H]1CC2(CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)c2ccc(C)cc21 ZINC001159824083 1223137158 /nfs/dbraw/zinc/13/71/58/1223137158.db2.gz KDAHRJJTJWCCPZ-DLBZAZTESA-N 2 1 373.501 0.905 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159930015 1223139917 /nfs/dbraw/zinc/13/99/17/1223139917.db2.gz OUWYAAXNRPCLMT-LUKYLMHMSA-N 2 1 367.538 0.101 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159930015 1223139918 /nfs/dbraw/zinc/13/99/18/1223139918.db2.gz OUWYAAXNRPCLMT-LUKYLMHMSA-N 2 1 367.538 0.101 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C ZINC000977819371 1248658758 /nfs/dbraw/zinc/65/87/58/1248658758.db2.gz SHYKDTRTPCZYLF-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cn2cc[nH+]c2C)CC[N@H+]1C ZINC000977819371 1248658773 /nfs/dbraw/zinc/65/87/73/1248658773.db2.gz SHYKDTRTPCZYLF-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160050722 1223143457 /nfs/dbraw/zinc/14/34/57/1223143457.db2.gz DPPFTCCOQFURGQ-GOSISDBHSA-N 3 1 369.513 0.705 20 0 FCADMP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160054036 1223143497 /nfs/dbraw/zinc/14/34/97/1223143497.db2.gz WNFWVCLKQLWBPF-RXVVDRJESA-N 2 1 369.513 0.848 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086107 1223144820 /nfs/dbraw/zinc/14/48/20/1223144820.db2.gz QVLLBPOQMQDMLS-XLIONFOSSA-N 2 1 371.485 0.278 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127952 1223146657 /nfs/dbraw/zinc/14/66/57/1223146657.db2.gz GMGURWZABTYSQY-ZDRJDWQYSA-N 2 1 370.457 0.475 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001160421615 1223159067 /nfs/dbraw/zinc/15/90/67/1223159067.db2.gz CEIKVMPNZMYLRZ-HAYURNKSSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001160421615 1223159069 /nfs/dbraw/zinc/15/90/69/1223159069.db2.gz CEIKVMPNZMYLRZ-HAYURNKSSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001160421615 1223159072 /nfs/dbraw/zinc/15/90/72/1223159072.db2.gz CEIKVMPNZMYLRZ-HAYURNKSSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423169 1223159160 /nfs/dbraw/zinc/15/91/60/1223159160.db2.gz KQLQSLNTENZJER-XGXHKWSGSA-N 2 1 357.502 0.702 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160442822 1223159707 /nfs/dbraw/zinc/15/97/07/1223159707.db2.gz AHXMPTYSQKAJDL-INIZCTEOSA-N 2 1 353.426 0.860 20 0 FCADMP CCOC(=O)[C@@H]1CCc2nnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)cc2C1 ZINC001160517963 1223163644 /nfs/dbraw/zinc/16/36/44/1223163644.db2.gz RYETUCHJNYDGQK-YJYMSZOUSA-N 2 1 359.474 0.980 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC001160537447 1223163955 /nfs/dbraw/zinc/16/39/55/1223163955.db2.gz LABPFVXVLHBOIP-UHFFFAOYSA-N 2 1 369.469 0.794 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160705368 1223169314 /nfs/dbraw/zinc/16/93/14/1223169314.db2.gz WKLFZQNHJIVDSL-KRWDZBQOSA-N 2 1 357.502 0.405 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCCCCC2)O1 ZINC001160857543 1223177893 /nfs/dbraw/zinc/17/78/93/1223177893.db2.gz JPUQOJRFKRCZMU-NVXWUHKLSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCCCCC2)O1 ZINC001160857543 1223177895 /nfs/dbraw/zinc/17/78/95/1223177895.db2.gz JPUQOJRFKRCZMU-NVXWUHKLSA-N 2 1 368.522 0.640 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)Cc2ccco2)O1 ZINC001160857006 1223178398 /nfs/dbraw/zinc/17/83/98/1223178398.db2.gz BQFQJMGACSVYDI-GDBMZVCRSA-N 2 1 366.462 0.053 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)Cc2ccco2)O1 ZINC001160857006 1223178399 /nfs/dbraw/zinc/17/83/99/1223178399.db2.gz BQFQJMGACSVYDI-GDBMZVCRSA-N 2 1 366.462 0.053 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958125 1223182025 /nfs/dbraw/zinc/18/20/25/1223182025.db2.gz XOHBEAXBZCSIED-YUELXQCFSA-N 3 1 359.478 0.697 20 0 FCADMP [NH3+]C1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCN(Cc2ccccc2)CC1 ZINC001160999465 1223182717 /nfs/dbraw/zinc/18/27/17/1223182717.db2.gz FDMRUMBJPCHTQH-GOSISDBHSA-N 2 1 372.513 0.695 20 0 FCADMP NC(=O)[C@@H]1CCCN1C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001161034440 1223184313 /nfs/dbraw/zinc/18/43/13/1223184313.db2.gz IKTPPEMHTAKGJQ-LVCYWYKZSA-N 2 1 370.497 0.965 20 0 FCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196816 1223189284 /nfs/dbraw/zinc/18/92/84/1223189284.db2.gz SGNXGKLKWCRJDK-HKUYNNGSSA-N 3 1 366.550 0.925 20 0 FCADMP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379920 1223198082 /nfs/dbraw/zinc/19/80/82/1223198082.db2.gz RWBVBTIJDXLOEL-APWZRJJASA-N 3 1 363.550 0.474 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@@H](N)CC(=O)OC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001161443325 1223198887 /nfs/dbraw/zinc/19/88/87/1223198887.db2.gz QEHMPPXNENJHPY-RDJZCZTQSA-N 2 1 368.522 0.722 20 0 FCADMP C[N@@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C1)[C@H]1CCOC1 ZINC001161501000 1223202736 /nfs/dbraw/zinc/20/27/36/1223202736.db2.gz WNIWHNRDGHMKOH-MMOPVJDHSA-N 2 1 370.497 0.644 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191638 1223211371 /nfs/dbraw/zinc/21/13/71/1223211371.db2.gz WHPRZEIDYJVNMK-INIZCTEOSA-N 2 1 360.506 0.859 20 0 FCADMP [NH3+]Cc1nc2cnccc2n1-c1nc(N2CCOCC2)[nH+]c2c1CCN2 ZINC001162215234 1223211854 /nfs/dbraw/zinc/21/18/54/1223211854.db2.gz QAZRFIVEFJBUHR-UHFFFAOYSA-N 2 1 352.402 0.474 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)CC1 ZINC001163652944 1223233333 /nfs/dbraw/zinc/23/33/33/1223233333.db2.gz BDUSKCDIJPNRCS-HNNXBMFYSA-N 2 1 360.462 0.232 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001165711505 1223254784 /nfs/dbraw/zinc/25/47/84/1223254784.db2.gz QVVUNAPHQJIENO-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CC(=O)N3CCCC3)CC2)O1 ZINC001165711505 1223254786 /nfs/dbraw/zinc/25/47/86/1223254786.db2.gz QVVUNAPHQJIENO-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCc3ccnn3C)CC2)O1 ZINC001165728687 1223255162 /nfs/dbraw/zinc/25/51/62/1223255162.db2.gz QYVMLGJSNMHVBO-NVXWUHKLSA-N 2 1 363.506 0.558 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCc3ccnn3C)CC2)O1 ZINC001165728687 1223255165 /nfs/dbraw/zinc/25/51/65/1223255165.db2.gz QYVMLGJSNMHVBO-NVXWUHKLSA-N 2 1 363.506 0.558 20 0 FCADMP CCCC[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001165728828 1223255588 /nfs/dbraw/zinc/25/55/88/1223255588.db2.gz VOCBWROWGPILLI-BZUAXINKSA-N 2 1 368.522 0.626 20 0 FCADMP CCCC[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001165728828 1223255590 /nfs/dbraw/zinc/25/55/90/1223255590.db2.gz VOCBWROWGPILLI-BZUAXINKSA-N 2 1 368.522 0.626 20 0 FCADMP Cc1noc([C@]23COC[C@H]2CN(c2nc(N4CCC([NH3+])CC4)cc[nH+]2)C3)n1 ZINC001165854976 1223258952 /nfs/dbraw/zinc/25/89/52/1223258952.db2.gz ZCXIFQOYDCYYAF-FZKQIMNGSA-N 2 1 371.445 0.500 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001205334276 1223320046 /nfs/dbraw/zinc/32/00/46/1223320046.db2.gz JBPGDNUMVGCXLV-LSDHHAIUSA-N 2 1 367.494 0.001 20 0 FCADMP CCCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518848 1223330129 /nfs/dbraw/zinc/33/01/29/1223330129.db2.gz MVSBZBQAGUDXGM-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518848 1223330130 /nfs/dbraw/zinc/33/01/30/1223330130.db2.gz MVSBZBQAGUDXGM-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCCC[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001205519162 1223330230 /nfs/dbraw/zinc/33/02/30/1223330230.db2.gz XQGGOLBQAZRLLH-HYVNUMGLSA-N 2 1 368.522 0.578 20 0 FCADMP CCCC[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(N)=O ZINC001205519162 1223330232 /nfs/dbraw/zinc/33/02/32/1223330232.db2.gz XQGGOLBQAZRLLH-HYVNUMGLSA-N 2 1 368.522 0.578 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1cccc(=O)[nH]1)CC2 ZINC001207069113 1223411499 /nfs/dbraw/zinc/41/14/99/1223411499.db2.gz TWGKVJYCNUCXSP-UHFFFAOYSA-N 2 1 361.490 0.457 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001207397720 1223443037 /nfs/dbraw/zinc/44/30/37/1223443037.db2.gz RCLPONWGBUBNPX-GVDBMIGSSA-N 2 1 361.490 0.724 20 0 FCADMP C[NH+]1CCC(C[N@H+]2Cc3ccnn3C[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207396873 1223443105 /nfs/dbraw/zinc/44/31/05/1223443105.db2.gz XMWJOAXGODUZTF-KRWDZBQOSA-N 2 1 361.490 0.516 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2Cc3ccnn3C[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001207396873 1223443109 /nfs/dbraw/zinc/44/31/09/1223443109.db2.gz XMWJOAXGODUZTF-KRWDZBQOSA-N 2 1 361.490 0.516 20 0 FCADMP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207396380 1223443365 /nfs/dbraw/zinc/44/33/65/1223443365.db2.gz GYOGZCBWIRRBCB-MRXNPFEDSA-N 2 1 359.478 0.851 20 0 FCADMP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001207396380 1223443371 /nfs/dbraw/zinc/44/33/71/1223443371.db2.gz GYOGZCBWIRRBCB-MRXNPFEDSA-N 2 1 359.478 0.851 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](CC3CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001207435707 1223446427 /nfs/dbraw/zinc/44/64/27/1223446427.db2.gz TUCIMQDMZOYRCO-VQIMIIECSA-N 2 1 358.490 0.493 20 0 FCADMP CCN(C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001207967336 1223500865 /nfs/dbraw/zinc/50/08/65/1223500865.db2.gz YLZDIYJUIHLUFV-RHSMWYFYSA-N 2 1 370.457 0.796 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001208362260 1223534860 /nfs/dbraw/zinc/53/48/60/1223534860.db2.gz MOSFRMOHFIJTEZ-RRFJBIMHSA-N 2 1 363.462 0.247 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492022 1223551015 /nfs/dbraw/zinc/55/10/15/1223551015.db2.gz CNUPFUUMNFAONM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492022 1223551020 /nfs/dbraw/zinc/55/10/20/1223551020.db2.gz CNUPFUUMNFAONM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492023 1223551451 /nfs/dbraw/zinc/55/14/51/1223551451.db2.gz CNUPFUUMNFAONM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492023 1223551456 /nfs/dbraw/zinc/55/14/56/1223551456.db2.gz CNUPFUUMNFAONM-MGPQQGTHSA-N 2 1 369.510 0.387 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001208599172 1223561998 /nfs/dbraw/zinc/56/19/98/1223561998.db2.gz ICZJRAHLLAIKRK-KBAYOESNSA-N 2 1 359.474 0.638 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649146 1223637074 /nfs/dbraw/zinc/63/70/74/1223637074.db2.gz LVXYCFUXXJZQCH-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649146 1223637077 /nfs/dbraw/zinc/63/70/77/1223637077.db2.gz LVXYCFUXXJZQCH-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(Cc1cnccc1N)CC2 ZINC001209724976 1223643602 /nfs/dbraw/zinc/64/36/02/1223643602.db2.gz FMOLXKZLCHNWHS-UHFFFAOYSA-N 2 1 369.473 0.174 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830101 1223651598 /nfs/dbraw/zinc/65/15/98/1223651598.db2.gz QDWBQYABXLAXPS-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209830101 1223651600 /nfs/dbraw/zinc/65/16/00/1223651600.db2.gz QDWBQYABXLAXPS-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP c1nn(CCN2CCOCC2)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262871 1223679775 /nfs/dbraw/zinc/67/97/75/1223679775.db2.gz NLMZGBBGLDWVFN-UHFFFAOYSA-N 2 1 357.462 0.764 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297932 1223681371 /nfs/dbraw/zinc/68/13/71/1223681371.db2.gz KIEBQZGEMRXATJ-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297932 1223681374 /nfs/dbraw/zinc/68/13/74/1223681374.db2.gz KIEBQZGEMRXATJ-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298352 1223681549 /nfs/dbraw/zinc/68/15/49/1223681549.db2.gz ORUGTISIGBNXSH-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298303 1223681712 /nfs/dbraw/zinc/68/17/12/1223681712.db2.gz ODRXXDFOODEYKS-OLMNPRSZSA-N 2 1 367.465 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298730 1223681858 /nfs/dbraw/zinc/68/18/58/1223681858.db2.gz RYLHKQKYBVKMPF-KZNAEPCWSA-N 2 1 371.522 0.587 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315442 1223682154 /nfs/dbraw/zinc/68/21/54/1223682154.db2.gz PNESCOVDNGFJBZ-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315442 1223682156 /nfs/dbraw/zinc/68/21/56/1223682156.db2.gz PNESCOVDNGFJBZ-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314549 1223682429 /nfs/dbraw/zinc/68/24/29/1223682429.db2.gz ASDBEIDIERRHNS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314549 1223682430 /nfs/dbraw/zinc/68/24/30/1223682430.db2.gz ASDBEIDIERRHNS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330058 1223683304 /nfs/dbraw/zinc/68/33/04/1223683304.db2.gz NNCGGLSADPADSF-SJLPKXTDSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330058 1223683309 /nfs/dbraw/zinc/68/33/09/1223683309.db2.gz NNCGGLSADPADSF-SJLPKXTDSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426206 1223690220 /nfs/dbraw/zinc/69/02/20/1223690220.db2.gz CIHUANQOGHXRLV-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538573 1223696665 /nfs/dbraw/zinc/69/66/65/1223696665.db2.gz FSUXEGZUZBCEKF-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538573 1223696667 /nfs/dbraw/zinc/69/66/67/1223696667.db2.gz FSUXEGZUZBCEKF-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538573 1223696671 /nfs/dbraw/zinc/69/66/71/1223696671.db2.gz FSUXEGZUZBCEKF-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538573 1223696674 /nfs/dbraw/zinc/69/66/74/1223696674.db2.gz FSUXEGZUZBCEKF-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309323 1223733948 /nfs/dbraw/zinc/73/39/48/1223733948.db2.gz AHRFCAWQDPENST-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309323 1223733951 /nfs/dbraw/zinc/73/39/51/1223733951.db2.gz AHRFCAWQDPENST-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444155 1223742363 /nfs/dbraw/zinc/74/23/63/1223742363.db2.gz QBUOISWGSWHMPA-HUUCEWRRSA-N 2 1 364.494 0.311 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342272 1223788135 /nfs/dbraw/zinc/78/81/35/1223788135.db2.gz PHCXKDXQGMPPFM-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342272 1223788137 /nfs/dbraw/zinc/78/81/37/1223788137.db2.gz PHCXKDXQGMPPFM-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346693 1223788512 /nfs/dbraw/zinc/78/85/12/1223788512.db2.gz YTTPZWUXUJTYBM-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346693 1223788514 /nfs/dbraw/zinc/78/85/14/1223788514.db2.gz YTTPZWUXUJTYBM-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213371401 1223791989 /nfs/dbraw/zinc/79/19/89/1223791989.db2.gz YPBUYVZZPHFWIV-IAGOWNOFSA-N 2 1 362.474 0.313 20 0 FCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213371401 1223791991 /nfs/dbraw/zinc/79/19/91/1223791991.db2.gz YPBUYVZZPHFWIV-IAGOWNOFSA-N 2 1 362.474 0.313 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440217 1223798928 /nfs/dbraw/zinc/79/89/28/1223798928.db2.gz JTHMWIQTCBCVKE-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440217 1223798930 /nfs/dbraw/zinc/79/89/30/1223798930.db2.gz JTHMWIQTCBCVKE-KBAYOESNSA-N 2 1 364.490 0.996 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213528820 1223810010 /nfs/dbraw/zinc/81/00/10/1223810010.db2.gz CYQUCJZQTDGMFT-BZUAXINKSA-N 2 1 368.478 0.219 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213528820 1223810011 /nfs/dbraw/zinc/81/00/11/1223810011.db2.gz CYQUCJZQTDGMFT-BZUAXINKSA-N 2 1 368.478 0.219 20 0 FCADMP CO[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575918 1223816148 /nfs/dbraw/zinc/81/61/48/1223816148.db2.gz ANZAUJKYUJURKX-BZUAXINKSA-N 2 1 363.462 0.066 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC ZINC001213599157 1223820234 /nfs/dbraw/zinc/82/02/34/1223820234.db2.gz VDHYAMRBEDAEBJ-IAGOWNOFSA-N 2 1 366.510 0.606 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671840 1223830370 /nfs/dbraw/zinc/83/03/70/1223830370.db2.gz TUYMEWMFGYWURG-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671840 1223830371 /nfs/dbraw/zinc/83/03/71/1223830371.db2.gz TUYMEWMFGYWURG-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671840 1223830372 /nfs/dbraw/zinc/83/03/72/1223830372.db2.gz TUYMEWMFGYWURG-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213671840 1223830373 /nfs/dbraw/zinc/83/03/73/1223830373.db2.gz TUYMEWMFGYWURG-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730875 1223840869 /nfs/dbraw/zinc/84/08/69/1223840869.db2.gz ZVPYLGQNOGURRW-NVXWUHKLSA-N 2 1 368.478 0.439 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730875 1223840873 /nfs/dbraw/zinc/84/08/73/1223840873.db2.gz ZVPYLGQNOGURRW-NVXWUHKLSA-N 2 1 368.478 0.439 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753234 1223844121 /nfs/dbraw/zinc/84/41/21/1223844121.db2.gz DKKURNAHAPVEFD-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974364 1223879725 /nfs/dbraw/zinc/87/97/25/1223879725.db2.gz WGZRDPJMRKMOIV-IAGOWNOFSA-N 2 1 364.494 0.360 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974364 1223879729 /nfs/dbraw/zinc/87/97/29/1223879729.db2.gz WGZRDPJMRKMOIV-IAGOWNOFSA-N 2 1 364.494 0.360 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335611 1223901992 /nfs/dbraw/zinc/90/19/92/1223901992.db2.gz DGCSNVJOTZVYKD-DFBGVHRSSA-N 2 1 362.478 0.496 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388962 1223906925 /nfs/dbraw/zinc/90/69/25/1223906925.db2.gz NFVKAKPYTOGTTN-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388962 1223906928 /nfs/dbraw/zinc/90/69/28/1223906928.db2.gz NFVKAKPYTOGTTN-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)N(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C)C(C)C ZINC001214389407 1223907353 /nfs/dbraw/zinc/90/73/53/1223907353.db2.gz XMIAZHFCOUJIFT-ZACQAIPSSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)N(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C)C(C)C ZINC001214389407 1223907357 /nfs/dbraw/zinc/90/73/57/1223907357.db2.gz XMIAZHFCOUJIFT-ZACQAIPSSA-N 2 1 368.522 0.399 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214661920 1223930031 /nfs/dbraw/zinc/93/00/31/1223930031.db2.gz KTDWYMYRDQLXCX-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214662067 1223930312 /nfs/dbraw/zinc/93/03/12/1223930312.db2.gz SDZLRDLPBXPPAZ-KBUPBQIOSA-N 2 1 360.462 0.192 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001214780318 1223941654 /nfs/dbraw/zinc/94/16/54/1223941654.db2.gz UZHSDRXOQLFDPE-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214780404 1223941683 /nfs/dbraw/zinc/94/16/83/1223941683.db2.gz YNSBFKGSBGGKQW-RBSFLKMASA-N 2 1 363.462 0.924 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001215002060 1223962768 /nfs/dbraw/zinc/96/27/68/1223962768.db2.gz XVPCPZJBASSSMS-ZIAGYGMSSA-N 2 1 364.494 0.475 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001215002060 1223962771 /nfs/dbraw/zinc/96/27/71/1223962771.db2.gz XVPCPZJBASSSMS-ZIAGYGMSSA-N 2 1 364.494 0.475 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccc(O)cc2)C1 ZINC001215155964 1223979008 /nfs/dbraw/zinc/97/90/08/1223979008.db2.gz RJEFIERIGKVOLM-CXAGYDPISA-N 2 1 371.441 0.972 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C)C(=O)N(C)C ZINC001215162591 1223979481 /nfs/dbraw/zinc/97/94/81/1223979481.db2.gz ULHKPCBNPPMLBK-IIAWOOMASA-N 2 1 361.490 0.675 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392918 1223995883 /nfs/dbraw/zinc/99/58/83/1223995883.db2.gz HAKQLPFECMTFTM-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392918 1223995886 /nfs/dbraw/zinc/99/58/86/1223995886.db2.gz HAKQLPFECMTFTM-ZACQAIPSSA-N 2 1 368.522 0.304 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393169 1223995951 /nfs/dbraw/zinc/99/59/51/1223995951.db2.gz QLUCPQVTRNQLPJ-ZACQAIPSSA-N 2 1 368.522 0.448 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393169 1223995953 /nfs/dbraw/zinc/99/59/53/1223995953.db2.gz QLUCPQVTRNQLPJ-ZACQAIPSSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215568399 1224006672 /nfs/dbraw/zinc/00/66/72/1224006672.db2.gz OEAFEFJWMUMMDC-IXDOHACOSA-N 2 1 365.522 0.658 20 0 FCADMP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C)C1)[NH+]1CCCC1 ZINC001215598991 1224008677 /nfs/dbraw/zinc/00/86/77/1224008677.db2.gz MMSLQLFBYRSBOU-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2ccon2)C1)n1ccnc1 ZINC001215709609 1224012904 /nfs/dbraw/zinc/01/29/04/1224012904.db2.gz CMUDOLXJCZUQOI-MGPQQGTHSA-N 2 1 360.418 0.897 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC001215939172 1224025848 /nfs/dbraw/zinc/02/58/48/1224025848.db2.gz XGCVTQVGFGATSW-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC001215938674 1224025922 /nfs/dbraw/zinc/02/59/22/1224025922.db2.gz JFFOTLZIXBKDMP-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215939081 1224025950 /nfs/dbraw/zinc/02/59/50/1224025950.db2.gz UTWLRRZWUAMLAZ-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938953 1224025970 /nfs/dbraw/zinc/02/59/70/1224025970.db2.gz QOMRZZSERWGERG-IXDOHACOSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214176 1224039111 /nfs/dbraw/zinc/03/91/11/1224039111.db2.gz XSDOQPIPOBYSFM-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216382920 1224047725 /nfs/dbraw/zinc/04/77/25/1224047725.db2.gz FCERBXWJGYSQGW-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001216490656 1224053273 /nfs/dbraw/zinc/05/32/73/1224053273.db2.gz IWSAZUNALQGOGD-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216754537 1224069119 /nfs/dbraw/zinc/06/91/19/1224069119.db2.gz ZTZKXIRQFBDSIF-HYVNUMGLSA-N 2 1 359.474 0.086 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001216801958 1224073507 /nfs/dbraw/zinc/07/35/07/1224073507.db2.gz ZLKCUAXYNPXVEM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001216801958 1224073508 /nfs/dbraw/zinc/07/35/08/1224073508.db2.gz ZLKCUAXYNPXVEM-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216851656 1224079312 /nfs/dbraw/zinc/07/93/12/1224079312.db2.gz FFUSQJWFSNSUTQ-ZIAGYGMSSA-N 2 1 369.510 0.387 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216851719 1224079350 /nfs/dbraw/zinc/07/93/50/1224079350.db2.gz GTDHESGTLKWYSG-NVXWUHKLSA-N 2 1 371.489 0.939 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216851719 1224079351 /nfs/dbraw/zinc/07/93/51/1224079351.db2.gz GTDHESGTLKWYSG-NVXWUHKLSA-N 2 1 371.489 0.939 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978352216 1248731405 /nfs/dbraw/zinc/73/14/05/1248731405.db2.gz JNILPDCMUACNSX-QSGLGXSPSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1ncccc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978352216 1248731413 /nfs/dbraw/zinc/73/14/13/1248731413.db2.gz JNILPDCMUACNSX-QSGLGXSPSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978352216 1248731419 /nfs/dbraw/zinc/73/14/19/1248731419.db2.gz JNILPDCMUACNSX-QSGLGXSPSA-N 2 1 358.486 0.903 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978352216 1248731427 /nfs/dbraw/zinc/73/14/27/1248731427.db2.gz JNILPDCMUACNSX-QSGLGXSPSA-N 2 1 358.486 0.903 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982281940 1248776636 /nfs/dbraw/zinc/77/66/36/1248776636.db2.gz DXVVCDUCWHZNTR-BIQFIRCYSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982281940 1248776645 /nfs/dbraw/zinc/77/66/45/1248776645.db2.gz DXVVCDUCWHZNTR-BIQFIRCYSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+]([C@@H]4CCN(C)C4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982281940 1248776652 /nfs/dbraw/zinc/77/66/52/1248776652.db2.gz DXVVCDUCWHZNTR-BIQFIRCYSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000987515225 1249069079 /nfs/dbraw/zinc/06/90/79/1249069079.db2.gz BGNKNKONUPDJER-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986135 1245316438 /nfs/dbraw/zinc/31/64/38/1245316438.db2.gz GVDXXXVCHDHWEX-KFWWJZLASA-N 2 1 359.426 0.096 20 0 FCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986135 1245316440 /nfs/dbraw/zinc/31/64/40/1245316440.db2.gz GVDXXXVCHDHWEX-KFWWJZLASA-N 2 1 359.426 0.096 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000849057946 1245390989 /nfs/dbraw/zinc/39/09/89/1245390989.db2.gz FKGGTQPOLROFFN-UHFFFAOYSA-N 2 1 361.446 0.948 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C1 ZINC000891531286 1245452949 /nfs/dbraw/zinc/45/29/49/1245452949.db2.gz ZYADSCWAXSKWBJ-BZSNNMDCSA-N 2 1 371.485 0.640 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575907 1245455017 /nfs/dbraw/zinc/45/50/17/1245455017.db2.gz IUOUNTOQUDHOJT-JJXSEGSLSA-N 2 1 363.462 0.047 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563226 1245455512 /nfs/dbraw/zinc/45/55/12/1245455512.db2.gz BFKPWNGOTRLXEW-IAGOWNOFSA-N 2 1 367.538 0.470 20 0 FCADMP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897428575 1245471937 /nfs/dbraw/zinc/47/19/37/1245471937.db2.gz MJZRYIBRXNBDDY-INIZCTEOSA-N 2 1 365.522 0.524 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897428575 1245471939 /nfs/dbraw/zinc/47/19/39/1245471939.db2.gz MJZRYIBRXNBDDY-INIZCTEOSA-N 2 1 365.522 0.524 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+]2CC[C@H](C)C2)CC1 ZINC000897428710 1245472333 /nfs/dbraw/zinc/47/23/33/1245472333.db2.gz QBUHCSHEBRGOHD-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+]2CC[C@H](C)C2)CC1 ZINC000897428710 1245472337 /nfs/dbraw/zinc/47/23/37/1245472337.db2.gz QBUHCSHEBRGOHD-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897428710 1245472341 /nfs/dbraw/zinc/47/23/41/1245472341.db2.gz QBUHCSHEBRGOHD-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897428710 1245472346 /nfs/dbraw/zinc/47/23/46/1245472346.db2.gz QBUHCSHEBRGOHD-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556042 1245512771 /nfs/dbraw/zinc/51/27/71/1245512771.db2.gz INSRHHINUPEWGR-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475661 1245557487 /nfs/dbraw/zinc/55/74/87/1245557487.db2.gz CNRYOLOHPBJKSA-MSOLQXFVSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475661 1245557491 /nfs/dbraw/zinc/55/74/91/1245557491.db2.gz CNRYOLOHPBJKSA-MSOLQXFVSA-N 2 1 373.501 0.887 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000917475661 1245557502 /nfs/dbraw/zinc/55/75/02/1245557502.db2.gz CNRYOLOHPBJKSA-MSOLQXFVSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000919296784 1245602395 /nfs/dbraw/zinc/60/23/95/1245602395.db2.gz JUWPWVQBFCHLJC-MRXNPFEDSA-N 2 1 360.506 0.986 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000919517003 1245606403 /nfs/dbraw/zinc/60/64/03/1245606403.db2.gz FVKJTUKLGVLTHS-SJORKVTESA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000919517003 1245606411 /nfs/dbraw/zinc/60/64/11/1245606411.db2.gz FVKJTUKLGVLTHS-SJORKVTESA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000919517003 1245606420 /nfs/dbraw/zinc/60/64/20/1245606420.db2.gz FVKJTUKLGVLTHS-SJORKVTESA-N 2 1 367.538 0.946 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366863 1245712917 /nfs/dbraw/zinc/71/29/17/1245712917.db2.gz PLPMKRFITBULOU-ROUUACIJSA-N 2 1 362.474 0.364 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923379428 1245713109 /nfs/dbraw/zinc/71/31/09/1245713109.db2.gz JVKYNGJXUYBZGR-QRVBRYPASA-N 2 1 358.486 0.810 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366865 1245713748 /nfs/dbraw/zinc/71/37/48/1245713748.db2.gz PLPMKRFITBULOU-ZWKOTPCHSA-N 2 1 362.474 0.364 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000937940838 1245801496 /nfs/dbraw/zinc/80/14/96/1245801496.db2.gz LVDHWZZXVKTBEY-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000937940838 1245801503 /nfs/dbraw/zinc/80/15/03/1245801503.db2.gz LVDHWZZXVKTBEY-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000938184363 1245834757 /nfs/dbraw/zinc/83/47/57/1245834757.db2.gz WBRZXCATSVKLJY-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000938184363 1245834767 /nfs/dbraw/zinc/83/47/67/1245834767.db2.gz WBRZXCATSVKLJY-OWCLPIDISA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938766714 1245913407 /nfs/dbraw/zinc/91/34/07/1245913407.db2.gz FLKWTQNEDQRFEW-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000938766714 1245913415 /nfs/dbraw/zinc/91/34/15/1245913415.db2.gz FLKWTQNEDQRFEW-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000938878236 1245944591 /nfs/dbraw/zinc/94/45/91/1245944591.db2.gz GQLAPDRRIGPSSC-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000938878236 1245944602 /nfs/dbraw/zinc/94/46/02/1245944602.db2.gz GQLAPDRRIGPSSC-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000939330543 1246036480 /nfs/dbraw/zinc/03/64/80/1246036480.db2.gz WLKMEEIZFCQGSW-LTIDMASMSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1 ZINC000940295445 1246266414 /nfs/dbraw/zinc/26/64/14/1246266414.db2.gz MFWKRPZJUXHZEY-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1 ZINC000940295445 1246266422 /nfs/dbraw/zinc/26/64/22/1246266422.db2.gz MFWKRPZJUXHZEY-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC[C@@H]4CCCO4)C3)CC2)CC[N@H+]1C ZINC000941413121 1246609384 /nfs/dbraw/zinc/60/93/84/1246609384.db2.gz QJQBNIYQWCCVRF-NZSAHSFTSA-N 2 1 364.534 0.724 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552815 1247128944 /nfs/dbraw/zinc/12/89/44/1247128944.db2.gz NHTZVBINJPOQTC-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942596036 1247154113 /nfs/dbraw/zinc/15/41/13/1247154113.db2.gz QAQMYELIMWCGRJ-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000944149928 1247486537 /nfs/dbraw/zinc/48/65/37/1247486537.db2.gz OULGUUODYSTPMQ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946631438 1247926556 /nfs/dbraw/zinc/92/65/56/1247926556.db2.gz HJIYNSXHKFQRAG-YYIAUSFCSA-N 2 1 369.473 0.975 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631458 1247927592 /nfs/dbraw/zinc/92/75/92/1247927592.db2.gz JDOHNQMHGJCJCT-AALSBFMBSA-N 2 1 359.474 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC000976561174 1248243617 /nfs/dbraw/zinc/24/36/17/1248243617.db2.gz PWGUZWAKLMPZGB-YGTFVGLLSA-N 2 1 360.502 0.241 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+]1C ZINC000976757810 1248392008 /nfs/dbraw/zinc/39/20/08/1248392008.db2.gz XHQFVBCHBYUEMP-IOAAYWBKSA-N 2 1 357.458 0.426 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1 ZINC000994335044 1250382693 /nfs/dbraw/zinc/38/26/93/1250382693.db2.gz FPLGWPPQBFNQNJ-BRWVUGGUSA-N 2 1 362.518 0.635 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328184295 1265499665 /nfs/dbraw/zinc/49/96/65/1265499665.db2.gz KPZFBKZYWXNFGG-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994851739 1250714611 /nfs/dbraw/zinc/71/46/11/1250714611.db2.gz YHPOZQUZPMXIIT-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000994851739 1250714627 /nfs/dbraw/zinc/71/46/27/1250714627.db2.gz YHPOZQUZPMXIIT-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994851739 1250714644 /nfs/dbraw/zinc/71/46/44/1250714644.db2.gz YHPOZQUZPMXIIT-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000994851739 1250714665 /nfs/dbraw/zinc/71/46/65/1250714665.db2.gz YHPOZQUZPMXIIT-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)O1 ZINC000995956206 1251091242 /nfs/dbraw/zinc/09/12/42/1251091242.db2.gz HEIXYXUAVMLCAU-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)O1 ZINC000995956206 1251091257 /nfs/dbraw/zinc/09/12/57/1251091257.db2.gz HEIXYXUAVMLCAU-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC000996611855 1251403779 /nfs/dbraw/zinc/40/37/79/1251403779.db2.gz OGBLPAMEAPCRRL-JKSUJKDBSA-N 2 1 364.490 0.446 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000997082089 1251490172 /nfs/dbraw/zinc/49/01/72/1251490172.db2.gz HIYBNSIQIAOXCJ-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000997082089 1251490177 /nfs/dbraw/zinc/49/01/77/1251490177.db2.gz HIYBNSIQIAOXCJ-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nc1 ZINC000997861248 1251728306 /nfs/dbraw/zinc/72/83/06/1251728306.db2.gz WSECVVSWCHXXDP-NVXWUHKLSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nc1 ZINC000997861248 1251728315 /nfs/dbraw/zinc/72/83/15/1251728315.db2.gz WSECVVSWCHXXDP-NVXWUHKLSA-N 2 1 361.490 0.832 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998559023 1251910830 /nfs/dbraw/zinc/91/08/30/1251910830.db2.gz KTURLZZXTPJBGU-QZWWFDLISA-N 2 1 360.502 0.957 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000998668993 1251947333 /nfs/dbraw/zinc/94/73/33/1251947333.db2.gz NQWNHLWBINCIFR-DEICHXMPSA-N 2 1 371.485 0.961 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000999498497 1252127455 /nfs/dbraw/zinc/12/74/55/1252127455.db2.gz VNGLFGUXGFENJL-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000999498497 1252127457 /nfs/dbraw/zinc/12/74/57/1252127457.db2.gz VNGLFGUXGFENJL-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002879636 1252725656 /nfs/dbraw/zinc/72/56/56/1252725656.db2.gz JIDPDWUMIZBDQU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001002879636 1252725665 /nfs/dbraw/zinc/72/56/65/1252725665.db2.gz JIDPDWUMIZBDQU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002879636 1252725670 /nfs/dbraw/zinc/72/56/70/1252725670.db2.gz JIDPDWUMIZBDQU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002879636 1252725677 /nfs/dbraw/zinc/72/56/77/1252725677.db2.gz JIDPDWUMIZBDQU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001003666796 1253045082 /nfs/dbraw/zinc/04/50/82/1253045082.db2.gz DLJOZTGWTATUMB-CEXWTWQISA-N 2 1 370.497 0.801 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001003666796 1253045092 /nfs/dbraw/zinc/04/50/92/1253045092.db2.gz DLJOZTGWTATUMB-CEXWTWQISA-N 2 1 370.497 0.801 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001004211531 1253248980 /nfs/dbraw/zinc/24/89/80/1253248980.db2.gz RQEWLKJDQIIUGZ-OAGGEKHMSA-N 2 1 357.458 0.535 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001004217499 1253250804 /nfs/dbraw/zinc/25/08/04/1253250804.db2.gz ZLLJNMMHWPCZRL-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001004217499 1253250808 /nfs/dbraw/zinc/25/08/08/1253250808.db2.gz ZLLJNMMHWPCZRL-SVGFKBNWSA-N 2 1 359.474 0.781 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]12CC[N@@H+](C1)CCC2)C12CC[NH+](CC1)C2 ZINC001004392707 1253311468 /nfs/dbraw/zinc/31/14/68/1253311468.db2.gz WWNTZDVMLSCAOS-VWXURSGXSA-N 2 1 372.513 0.816 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392379 1253312149 /nfs/dbraw/zinc/31/21/49/1253312149.db2.gz TXJBQABFHJYJRH-HZMVEIRTSA-N 2 1 360.502 0.815 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001004422202 1253320356 /nfs/dbraw/zinc/32/03/56/1253320356.db2.gz NQWNHLWBINCIFR-MMNPAVHPSA-N 2 1 371.485 0.961 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001026497393 1253845540 /nfs/dbraw/zinc/84/55/40/1253845540.db2.gz XJODMFAYRCIAHZ-PFSRBDOWSA-N 2 1 364.494 0.356 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001026917088 1253849666 /nfs/dbraw/zinc/84/96/66/1253849666.db2.gz VMJGZIUQLCQVSB-RVKKMQEKSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001026917088 1253849675 /nfs/dbraw/zinc/84/96/75/1253849675.db2.gz VMJGZIUQLCQVSB-RVKKMQEKSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465896 1253853878 /nfs/dbraw/zinc/85/38/78/1253853878.db2.gz YSEVOAGTJIXRSY-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465896 1253853891 /nfs/dbraw/zinc/85/38/91/1253853891.db2.gz YSEVOAGTJIXRSY-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465896 1253853903 /nfs/dbraw/zinc/85/39/03/1253853903.db2.gz YSEVOAGTJIXRSY-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCc3cnn(C)c3)C2)O1 ZINC001027465896 1253853923 /nfs/dbraw/zinc/85/39/23/1253853923.db2.gz YSEVOAGTJIXRSY-KBAYOESNSA-N 2 1 363.506 0.605 20 0 FCADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001031994450 1253913627 /nfs/dbraw/zinc/91/36/27/1253913627.db2.gz YPXTYJHHWNDWGN-QYZOEREBSA-N 2 1 370.497 0.611 20 0 FCADMP CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001031994450 1253913640 /nfs/dbraw/zinc/91/36/40/1253913640.db2.gz YPXTYJHHWNDWGN-QYZOEREBSA-N 2 1 370.497 0.611 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033196516 1253952819 /nfs/dbraw/zinc/95/28/19/1253952819.db2.gz MWRRUILSWJTWQM-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033196516 1253952827 /nfs/dbraw/zinc/95/28/27/1253952827.db2.gz MWRRUILSWJTWQM-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033196516 1253952836 /nfs/dbraw/zinc/95/28/36/1253952836.db2.gz MWRRUILSWJTWQM-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033196516 1253952851 /nfs/dbraw/zinc/95/28/51/1253952851.db2.gz MWRRUILSWJTWQM-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001055967087 1254089302 /nfs/dbraw/zinc/08/93/02/1254089302.db2.gz PAZDYSSTQIYCQR-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967087 1254089312 /nfs/dbraw/zinc/08/93/12/1254089312.db2.gz PAZDYSSTQIYCQR-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967087 1254089318 /nfs/dbraw/zinc/08/93/18/1254089318.db2.gz PAZDYSSTQIYCQR-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001061601132 1254190219 /nfs/dbraw/zinc/19/02/19/1254190219.db2.gz ZJJFFFAOYPHYNI-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001061651361 1254198107 /nfs/dbraw/zinc/19/81/07/1254198107.db2.gz OAQNGFZHTZEDBJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001061651361 1254198111 /nfs/dbraw/zinc/19/81/11/1254198111.db2.gz OAQNGFZHTZEDBJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001061651361 1254198117 /nfs/dbraw/zinc/19/81/17/1254198117.db2.gz OAQNGFZHTZEDBJ-YESZJQIVSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061675683 1254203378 /nfs/dbraw/zinc/20/33/78/1254203378.db2.gz SOGSRMFBVYZYOW-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061675683 1254203386 /nfs/dbraw/zinc/20/33/86/1254203386.db2.gz SOGSRMFBVYZYOW-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061675683 1254203391 /nfs/dbraw/zinc/20/33/91/1254203391.db2.gz SOGSRMFBVYZYOW-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061828817 1254227809 /nfs/dbraw/zinc/22/78/09/1254227809.db2.gz DKSXXMRCOUUYIG-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC2)CC[N@@H+]1C ZINC001062747314 1254279287 /nfs/dbraw/zinc/27/92/87/1254279287.db2.gz MOKVIHROPWHTGF-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC2)CC[N@H+]1C ZINC001062747314 1254279296 /nfs/dbraw/zinc/27/92/96/1254279296.db2.gz MOKVIHROPWHTGF-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747314 1254279305 /nfs/dbraw/zinc/27/93/05/1254279305.db2.gz MOKVIHROPWHTGF-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001062747314 1254279310 /nfs/dbraw/zinc/27/93/10/1254279310.db2.gz MOKVIHROPWHTGF-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)O1 ZINC001064254568 1254417725 /nfs/dbraw/zinc/41/77/25/1254417725.db2.gz MEPOYEPTFGLOFF-HUUCEWRRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)O1 ZINC001064254568 1254417732 /nfs/dbraw/zinc/41/77/32/1254417732.db2.gz MEPOYEPTFGLOFF-HUUCEWRRSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001065212730 1254494767 /nfs/dbraw/zinc/49/47/67/1254494767.db2.gz UOXFVSGZOWNAFU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001065212730 1254494771 /nfs/dbraw/zinc/49/47/71/1254494771.db2.gz UOXFVSGZOWNAFU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001065212730 1254494775 /nfs/dbraw/zinc/49/47/75/1254494775.db2.gz UOXFVSGZOWNAFU-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066540839 1254609193 /nfs/dbraw/zinc/60/91/93/1254609193.db2.gz WYLWIGMZEBRFFK-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066540839 1254609200 /nfs/dbraw/zinc/60/92/00/1254609200.db2.gz WYLWIGMZEBRFFK-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066540839 1254609209 /nfs/dbraw/zinc/60/92/09/1254609209.db2.gz WYLWIGMZEBRFFK-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066540839 1254609213 /nfs/dbraw/zinc/60/92/13/1254609213.db2.gz WYLWIGMZEBRFFK-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)CC1 ZINC001077618898 1254784943 /nfs/dbraw/zinc/78/49/43/1254784943.db2.gz UYHPDAFXBCSUMD-IAGOWNOFSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)CC1 ZINC001077618898 1254784960 /nfs/dbraw/zinc/78/49/60/1254784960.db2.gz UYHPDAFXBCSUMD-IAGOWNOFSA-N 2 1 365.449 0.708 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677019 1254858132 /nfs/dbraw/zinc/85/81/32/1254858132.db2.gz UPNZRDSMLHFPNO-ATZDWAIDSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677019 1254858149 /nfs/dbraw/zinc/85/81/49/1254858149.db2.gz UPNZRDSMLHFPNO-ATZDWAIDSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677019 1254858162 /nfs/dbraw/zinc/85/81/62/1254858162.db2.gz UPNZRDSMLHFPNO-ATZDWAIDSA-N 2 1 360.502 0.898 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077677019 1254858173 /nfs/dbraw/zinc/85/81/73/1254858173.db2.gz UPNZRDSMLHFPNO-ATZDWAIDSA-N 2 1 360.502 0.898 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077682939 1254871745 /nfs/dbraw/zinc/87/17/45/1254871745.db2.gz RZNBURCDHGGMNW-CGTJXYLNSA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077682939 1254871753 /nfs/dbraw/zinc/87/17/53/1254871753.db2.gz RZNBURCDHGGMNW-CGTJXYLNSA-N 2 1 362.474 0.342 20 0 FCADMP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077715748 1254915160 /nfs/dbraw/zinc/91/51/60/1254915160.db2.gz WIYFLBNMFZKASQ-ARFHVFGLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077715748 1254915168 /nfs/dbraw/zinc/91/51/68/1254915168.db2.gz WIYFLBNMFZKASQ-ARFHVFGLSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777322 1254979686 /nfs/dbraw/zinc/97/96/86/1254979686.db2.gz HPAHUVPIAPXWQI-CGTJXYLNSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777322 1254979690 /nfs/dbraw/zinc/97/96/90/1254979690.db2.gz HPAHUVPIAPXWQI-CGTJXYLNSA-N 2 1 363.506 0.388 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077903254 1255083745 /nfs/dbraw/zinc/08/37/45/1255083745.db2.gz UNWWYRCESJWRNN-KBRIMQKVSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077903254 1255083754 /nfs/dbraw/zinc/08/37/54/1255083754.db2.gz UNWWYRCESJWRNN-KBRIMQKVSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975756 1255139667 /nfs/dbraw/zinc/13/96/67/1255139667.db2.gz ZUCQXUMHVHNQFX-QXAKKESOSA-N 2 1 365.518 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978580 1255141808 /nfs/dbraw/zinc/14/18/08/1255141808.db2.gz KFRMIEVHOGTMLU-QXAKKESOSA-N 2 1 365.518 0.696 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006221 1255161643 /nfs/dbraw/zinc/16/16/43/1255161643.db2.gz WLBLJOMWLSTXIU-KBRIMQKVSA-N 2 1 359.430 0.226 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006221 1255161649 /nfs/dbraw/zinc/16/16/49/1255161649.db2.gz WLBLJOMWLSTXIU-KBRIMQKVSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006221 1255161654 /nfs/dbraw/zinc/16/16/54/1255161654.db2.gz WLBLJOMWLSTXIU-KBRIMQKVSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001078006221 1255161663 /nfs/dbraw/zinc/16/16/63/1255161663.db2.gz WLBLJOMWLSTXIU-KBRIMQKVSA-N 2 1 359.430 0.226 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005935 1255162421 /nfs/dbraw/zinc/16/24/21/1255162421.db2.gz NIWDXVBAVARNFA-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078005935 1255162427 /nfs/dbraw/zinc/16/24/27/1255162427.db2.gz NIWDXVBAVARNFA-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078005935 1255162437 /nfs/dbraw/zinc/16/24/37/1255162437.db2.gz NIWDXVBAVARNFA-KVSKMBFKSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078008647 1255163356 /nfs/dbraw/zinc/16/33/56/1255163356.db2.gz ONYZHIAJAQONOS-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078008647 1255163359 /nfs/dbraw/zinc/16/33/59/1255163359.db2.gz ONYZHIAJAQONOS-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078008647 1255163363 /nfs/dbraw/zinc/16/33/63/1255163363.db2.gz ONYZHIAJAQONOS-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078008485 1255164023 /nfs/dbraw/zinc/16/40/23/1255164023.db2.gz HJQRZVZERMKUFB-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008485 1255164032 /nfs/dbraw/zinc/16/40/32/1255164032.db2.gz HJQRZVZERMKUFB-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008485 1255164036 /nfs/dbraw/zinc/16/40/36/1255164036.db2.gz HJQRZVZERMKUFB-QXAKKESOSA-N 2 1 361.486 0.877 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078008760 1255165817 /nfs/dbraw/zinc/16/58/17/1255165817.db2.gz WBPFIKGLUMXZFC-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078008760 1255165822 /nfs/dbraw/zinc/16/58/22/1255165822.db2.gz WBPFIKGLUMXZFC-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078008760 1255165827 /nfs/dbraw/zinc/16/58/27/1255165827.db2.gz WBPFIKGLUMXZFC-QXAKKESOSA-N 2 1 361.486 0.741 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CCC1 ZINC001078017925 1255173843 /nfs/dbraw/zinc/17/38/43/1255173843.db2.gz FASDJYRYUTZAMV-KBAYOESNSA-N 2 1 362.474 0.738 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176055 1255289651 /nfs/dbraw/zinc/28/96/51/1255289651.db2.gz YTMQKYQKOFJKMC-RCCFBDPRSA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176055 1255289659 /nfs/dbraw/zinc/28/96/59/1255289659.db2.gz YTMQKYQKOFJKMC-RCCFBDPRSA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)C1 ZINC001078176055 1255289664 /nfs/dbraw/zinc/28/96/64/1255289664.db2.gz YTMQKYQKOFJKMC-RCCFBDPRSA-N 2 1 359.470 0.277 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)c1 ZINC001078224713 1255338292 /nfs/dbraw/zinc/33/82/92/1255338292.db2.gz WBNAYTSRNORBNM-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001078404312 1255408940 /nfs/dbraw/zinc/40/89/40/1255408940.db2.gz XZJRMDAOCWEUCL-IXDOHACOSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001078404312 1255408942 /nfs/dbraw/zinc/40/89/42/1255408942.db2.gz XZJRMDAOCWEUCL-IXDOHACOSA-N 2 1 364.494 0.253 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079189151 1255468507 /nfs/dbraw/zinc/46/85/07/1255468507.db2.gz FQAZLSKAIHTIIM-BBWFWOEESA-N 2 1 362.449 0.679 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079206007 1255471799 /nfs/dbraw/zinc/47/17/99/1255471799.db2.gz QILMKUPMJOHFNU-RRQGHBQHSA-N 2 1 362.449 0.537 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273375 1255497148 /nfs/dbraw/zinc/49/71/48/1255497148.db2.gz AVHBAWBJXPDBMB-DLBZAZTESA-N 2 1 362.474 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079273618 1255497384 /nfs/dbraw/zinc/49/73/84/1255497384.db2.gz GSAOVGVQGLRXEY-HYVNUMGLSA-N 2 1 362.474 0.512 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273769 1255497570 /nfs/dbraw/zinc/49/75/70/1255497570.db2.gz PHCYJGAHHVIIBR-OKZBNKHCSA-N 2 1 365.518 0.914 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001079849786 1255632422 /nfs/dbraw/zinc/63/24/22/1255632422.db2.gz ZDTPUFLBTUDDJH-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079849786 1255632425 /nfs/dbraw/zinc/63/24/25/1255632425.db2.gz ZDTPUFLBTUDDJH-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079849786 1255632431 /nfs/dbraw/zinc/63/24/31/1255632431.db2.gz ZDTPUFLBTUDDJH-IXDOHACOSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949226 1255677021 /nfs/dbraw/zinc/67/70/21/1255677021.db2.gz UEQYKXWBMCLSIA-HLLBOEOZSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949226 1255677032 /nfs/dbraw/zinc/67/70/32/1255677032.db2.gz UEQYKXWBMCLSIA-HLLBOEOZSA-N 2 1 362.518 0.966 20 0 FCADMP CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079947046 1255677123 /nfs/dbraw/zinc/67/71/23/1255677123.db2.gz LEAZHJKYNCEMOT-KBRIMQKVSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079947046 1255677129 /nfs/dbraw/zinc/67/71/29/1255677129.db2.gz LEAZHJKYNCEMOT-KBRIMQKVSA-N 2 1 366.506 0.105 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013345 1255706356 /nfs/dbraw/zinc/70/63/56/1255706356.db2.gz CLEJOMPZJGRHMD-CXAGYDPISA-N 2 1 370.457 0.718 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013295 1255707124 /nfs/dbraw/zinc/70/71/24/1255707124.db2.gz AXOIJJUXIFBKCO-JLZZUVOBSA-N 2 1 355.442 0.924 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080013295 1255707127 /nfs/dbraw/zinc/70/71/27/1255707127.db2.gz AXOIJJUXIFBKCO-JLZZUVOBSA-N 2 1 355.442 0.924 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037635 1255720055 /nfs/dbraw/zinc/72/00/55/1255720055.db2.gz PNIZSBPIRRRKJZ-IXDOHACOSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039105 1255720199 /nfs/dbraw/zinc/72/01/99/1255720199.db2.gz WIKCTFSJRZYRRU-HUUCEWRRSA-N 2 1 362.474 0.200 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161249 1255765952 /nfs/dbraw/zinc/76/59/52/1255765952.db2.gz TVJHRKXSKLCHRD-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161249 1255765958 /nfs/dbraw/zinc/76/59/58/1255765958.db2.gz TVJHRKXSKLCHRD-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161249 1255765963 /nfs/dbraw/zinc/76/59/63/1255765963.db2.gz TVJHRKXSKLCHRD-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161249 1255765969 /nfs/dbraw/zinc/76/59/69/1255765969.db2.gz TVJHRKXSKLCHRD-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456080 1255897630 /nfs/dbraw/zinc/89/76/30/1255897630.db2.gz MXHAYIYMAZZJSL-OWCLPIDISA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456080 1255897643 /nfs/dbraw/zinc/89/76/43/1255897643.db2.gz MXHAYIYMAZZJSL-OWCLPIDISA-N 2 1 360.506 0.934 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456080 1255897658 /nfs/dbraw/zinc/89/76/58/1255897658.db2.gz MXHAYIYMAZZJSL-OWCLPIDISA-N 2 1 360.506 0.934 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554477 1255930166 /nfs/dbraw/zinc/93/01/66/1255930166.db2.gz RGJHEUSSCIICOC-BRWVUGGUSA-N 2 1 365.522 0.713 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)o1 ZINC001080593221 1255945909 /nfs/dbraw/zinc/94/59/09/1255945909.db2.gz OUZCHPCDUBVSQW-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)o1 ZINC001080593221 1255945918 /nfs/dbraw/zinc/94/59/18/1255945918.db2.gz OUZCHPCDUBVSQW-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001081001033 1256132877 /nfs/dbraw/zinc/13/28/77/1256132877.db2.gz LGYRSYGJJMFSJD-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001081001033 1256132883 /nfs/dbraw/zinc/13/28/83/1256132883.db2.gz LGYRSYGJJMFSJD-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001081001033 1256132886 /nfs/dbraw/zinc/13/28/86/1256132886.db2.gz LGYRSYGJJMFSJD-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081095822 1256175236 /nfs/dbraw/zinc/17/52/36/1256175236.db2.gz WGHZREKIANCNFP-IPMKNSEASA-N 2 1 368.485 0.957 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2c2ccccc2)nn1 ZINC001081097885 1256176597 /nfs/dbraw/zinc/17/65/97/1256176597.db2.gz KEMMASJRYYORPM-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2c2ccccc2)nn1 ZINC001081097885 1256176604 /nfs/dbraw/zinc/17/66/04/1256176604.db2.gz KEMMASJRYYORPM-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081150871 1256193274 /nfs/dbraw/zinc/19/32/74/1256193274.db2.gz IBYLGTACTSOUAU-FIKVRJJBSA-N 2 1 371.481 0.426 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001081178193 1256200543 /nfs/dbraw/zinc/20/05/43/1256200543.db2.gz KKYBCMSEZMQBLB-DLBZAZTESA-N 2 1 358.486 0.788 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001081197057 1256203363 /nfs/dbraw/zinc/20/33/63/1256203363.db2.gz LWHNOQUSZGOEBG-YTQUADARSA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081231201 1256213212 /nfs/dbraw/zinc/21/32/12/1256213212.db2.gz DDHIYVIRWRAJFB-KSZLIROESA-N 2 1 358.486 0.930 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694997 1256337848 /nfs/dbraw/zinc/33/78/48/1256337848.db2.gz WPWPCEXYMUJDDZ-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694997 1256337852 /nfs/dbraw/zinc/33/78/52/1256337852.db2.gz WPWPCEXYMUJDDZ-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694997 1256337863 /nfs/dbraw/zinc/33/78/63/1256337863.db2.gz WPWPCEXYMUJDDZ-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932374 1256459200 /nfs/dbraw/zinc/45/92/00/1256459200.db2.gz BOTVFEYRXHLBJJ-IAOVAPTHSA-N 2 1 359.430 0.731 20 0 FCADMP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057827 1256513532 /nfs/dbraw/zinc/51/35/32/1256513532.db2.gz FRYGKKBWOSDUEQ-KURKYZTESA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057827 1256513539 /nfs/dbraw/zinc/51/35/39/1256513539.db2.gz FRYGKKBWOSDUEQ-KURKYZTESA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057827 1256513547 /nfs/dbraw/zinc/51/35/47/1256513547.db2.gz FRYGKKBWOSDUEQ-KURKYZTESA-N 2 1 369.506 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082057827 1256513554 /nfs/dbraw/zinc/51/35/54/1256513554.db2.gz FRYGKKBWOSDUEQ-KURKYZTESA-N 2 1 369.506 0.338 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135342 1256553345 /nfs/dbraw/zinc/55/33/45/1256553345.db2.gz ZBNPATJHXTUXGR-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135342 1256553356 /nfs/dbraw/zinc/55/33/56/1256553356.db2.gz ZBNPATJHXTUXGR-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135342 1256553363 /nfs/dbraw/zinc/55/33/63/1256553363.db2.gz ZBNPATJHXTUXGR-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135342 1256553367 /nfs/dbraw/zinc/55/33/67/1256553367.db2.gz ZBNPATJHXTUXGR-CGTJXYLNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135343 1256553971 /nfs/dbraw/zinc/55/39/71/1256553971.db2.gz ZBNPATJHXTUXGR-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135343 1256553974 /nfs/dbraw/zinc/55/39/74/1256553974.db2.gz ZBNPATJHXTUXGR-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135343 1256553975 /nfs/dbraw/zinc/55/39/75/1256553975.db2.gz ZBNPATJHXTUXGR-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](OC)C2)cn1 ZINC001082135343 1256553976 /nfs/dbraw/zinc/55/39/76/1256553976.db2.gz ZBNPATJHXTUXGR-KBAYOESNSA-N 2 1 363.506 0.603 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135307 1256554410 /nfs/dbraw/zinc/55/44/10/1256554410.db2.gz XTGRXZSNEHAQGH-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135307 1256554417 /nfs/dbraw/zinc/55/44/17/1256554417.db2.gz XTGRXZSNEHAQGH-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135307 1256554423 /nfs/dbraw/zinc/55/44/23/1256554423.db2.gz XTGRXZSNEHAQGH-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135307 1256554428 /nfs/dbraw/zinc/55/44/28/1256554428.db2.gz XTGRXZSNEHAQGH-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001082278937 1256628234 /nfs/dbraw/zinc/62/82/34/1256628234.db2.gz GIMZVKMZWTUDCQ-ZTFGCOKTSA-N 2 1 371.441 0.733 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001082278937 1256628236 /nfs/dbraw/zinc/62/82/36/1256628236.db2.gz GIMZVKMZWTUDCQ-ZTFGCOKTSA-N 2 1 371.441 0.733 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001082458666 1256771115 /nfs/dbraw/zinc/77/11/15/1256771115.db2.gz ZSNGPOPSRWDEEH-DJIMGWMZSA-N 2 1 361.490 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001082458666 1256771120 /nfs/dbraw/zinc/77/11/20/1256771120.db2.gz ZSNGPOPSRWDEEH-DJIMGWMZSA-N 2 1 361.490 0.415 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1C ZINC001082515778 1256800219 /nfs/dbraw/zinc/80/02/19/1256800219.db2.gz YMKRBYCTABJCBY-FVQBIDKESA-N 2 1 360.506 0.656 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001082522523 1256805261 /nfs/dbraw/zinc/80/52/61/1256805261.db2.gz MVZDLFFWVURRDM-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082558258 1256854601 /nfs/dbraw/zinc/85/46/01/1256854601.db2.gz HIKXCXCEVNUFHO-OIISXLGYSA-N 2 1 359.478 0.184 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082558293 1256857192 /nfs/dbraw/zinc/85/71/92/1256857192.db2.gz JOCRGBHIUVOHGF-BRWVUGGUSA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082560093 1256857629 /nfs/dbraw/zinc/85/76/29/1256857629.db2.gz ZJHQPJKIAQKFOR-SUYBPPKGSA-N 2 1 362.478 0.085 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)cn1 ZINC001082559232 1256857911 /nfs/dbraw/zinc/85/79/11/1256857911.db2.gz YNBWGVNLJDBNDY-ZTFGCOKTSA-N 2 1 371.489 0.548 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082612360 1256923433 /nfs/dbraw/zinc/92/34/33/1256923433.db2.gz JQBITEQJFPTKKM-RBSFLKMASA-N 2 1 364.494 0.165 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001082646450 1256951725 /nfs/dbraw/zinc/95/17/25/1256951725.db2.gz WVWMMXVAEJMHFR-CXAGYDPISA-N 2 1 355.442 0.927 20 0 FCADMP COc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)c(C)n1 ZINC001082646390 1256952515 /nfs/dbraw/zinc/95/25/15/1256952515.db2.gz RDMNIPBJORPFFS-MLGOLLRUSA-N 2 1 358.446 0.935 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)nc1 ZINC001082653287 1256957285 /nfs/dbraw/zinc/95/72/85/1256957285.db2.gz DDFNDRCRRMYUKP-RMEMFKQDSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)nc1 ZINC001082653287 1256957294 /nfs/dbraw/zinc/95/72/94/1256957294.db2.gz DDFNDRCRRMYUKP-RMEMFKQDSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082662926 1256965799 /nfs/dbraw/zinc/96/57/99/1256965799.db2.gz LLBIKKMHWJDSAS-RHSMWYFYSA-N 2 1 371.489 0.565 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082698768 1256992248 /nfs/dbraw/zinc/99/22/48/1256992248.db2.gz ZXZBAFKHNMWCNU-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082705424 1256996640 /nfs/dbraw/zinc/99/66/40/1256996640.db2.gz BVXKBLSMEROTJZ-FXUDXRNXSA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082920833 1257145805 /nfs/dbraw/zinc/14/58/05/1257145805.db2.gz HVAVCDSSSWIYKN-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082920833 1257145809 /nfs/dbraw/zinc/14/58/09/1257145809.db2.gz HVAVCDSSSWIYKN-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]21)[NH+](C)C ZINC001083119931 1257352959 /nfs/dbraw/zinc/35/29/59/1257352959.db2.gz QVHOFYRCYKHNGX-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]21)[NH+](C)C ZINC001083119931 1257352967 /nfs/dbraw/zinc/35/29/67/1257352967.db2.gz QVHOFYRCYKHNGX-FGTMMUONSA-N 2 1 363.506 0.752 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083144030 1257396525 /nfs/dbraw/zinc/39/65/25/1257396525.db2.gz MKKUFLMAZWUGFD-ZWKOTPCHSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083144030 1257396534 /nfs/dbraw/zinc/39/65/34/1257396534.db2.gz MKKUFLMAZWUGFD-ZWKOTPCHSA-N 2 1 362.474 0.920 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001083750045 1257489254 /nfs/dbraw/zinc/48/92/54/1257489254.db2.gz CZQUYDBGMLTCOO-SQNIBIBYSA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001083750045 1257489256 /nfs/dbraw/zinc/48/92/56/1257489256.db2.gz CZQUYDBGMLTCOO-SQNIBIBYSA-N 2 1 365.449 0.362 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780857 1257523762 /nfs/dbraw/zinc/52/37/62/1257523762.db2.gz MWCGFZAUGKRICS-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780857 1257523768 /nfs/dbraw/zinc/52/37/68/1257523768.db2.gz MWCGFZAUGKRICS-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780857 1257523772 /nfs/dbraw/zinc/52/37/72/1257523772.db2.gz MWCGFZAUGKRICS-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3N(C)C)C[C@@H]2O)C1 ZINC001083780857 1257523777 /nfs/dbraw/zinc/52/37/77/1257523777.db2.gz MWCGFZAUGKRICS-WDYCEAGBSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781542 1257525358 /nfs/dbraw/zinc/52/53/58/1257525358.db2.gz LMLSUXXTCMHJEA-NXHRZFHOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781542 1257525361 /nfs/dbraw/zinc/52/53/61/1257525361.db2.gz LMLSUXXTCMHJEA-NXHRZFHOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781542 1257525364 /nfs/dbraw/zinc/52/53/64/1257525364.db2.gz LMLSUXXTCMHJEA-NXHRZFHOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781542 1257525368 /nfs/dbraw/zinc/52/53/68/1257525368.db2.gz LMLSUXXTCMHJEA-NXHRZFHOSA-N 2 1 361.486 0.877 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)[C@@H](O)C2)C1 ZINC001083826471 1257577992 /nfs/dbraw/zinc/57/79/92/1257577992.db2.gz VEXOBIRUNLKVSK-BACDZXNISA-N 2 1 364.490 0.983 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)[C@@H](O)C2)C1 ZINC001083826471 1257577996 /nfs/dbraw/zinc/57/79/96/1257577996.db2.gz VEXOBIRUNLKVSK-BACDZXNISA-N 2 1 364.490 0.983 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083833522 1257587256 /nfs/dbraw/zinc/58/72/56/1257587256.db2.gz GNUOZIAODGNQOY-MSOLQXFVSA-N 2 1 363.506 0.393 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2O)cn1 ZINC001083850913 1257607227 /nfs/dbraw/zinc/60/72/27/1257607227.db2.gz BSRWPVUHGOMZSJ-MSOLQXFVSA-N 2 1 363.506 0.800 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936917 1257722158 /nfs/dbraw/zinc/72/21/58/1257722158.db2.gz BSYUUYINYBOKJN-OTWHNJEPSA-N 2 1 365.518 0.839 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c1C ZINC001083959005 1257749779 /nfs/dbraw/zinc/74/97/79/1257749779.db2.gz AQSLIQNFZXZCEX-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959330 1257749955 /nfs/dbraw/zinc/74/99/55/1257749955.db2.gz RLLZLDUPUAMCLM-MSOLQXFVSA-N 2 1 371.481 0.421 20 0 FCADMP C[NH2+]C1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCC1 ZINC001521560208 1266140734 /nfs/dbraw/zinc/14/07/34/1266140734.db2.gz FEADUEZFKVPAHS-UHFFFAOYSA-N 2 1 366.506 0.206 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057264 1257868800 /nfs/dbraw/zinc/86/88/00/1257868800.db2.gz CLMPIJIBTPKXIJ-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057264 1257868814 /nfs/dbraw/zinc/86/88/14/1257868814.db2.gz CLMPIJIBTPKXIJ-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001084090833 1257915577 /nfs/dbraw/zinc/91/55/77/1257915577.db2.gz KXSHQPNZTUVNPK-IPELMVKDSA-N 2 1 361.486 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001084357188 1258047307 /nfs/dbraw/zinc/04/73/07/1258047307.db2.gz NLOPHVPLPBJGIL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001084357188 1258047312 /nfs/dbraw/zinc/04/73/12/1258047312.db2.gz NLOPHVPLPBJGIL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001084357188 1258047317 /nfs/dbraw/zinc/04/73/17/1258047317.db2.gz NLOPHVPLPBJGIL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001084357188 1258047323 /nfs/dbraw/zinc/04/73/23/1258047323.db2.gz NLOPHVPLPBJGIL-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@H+](C)C2CC2)c1 ZINC001331149480 1266159302 /nfs/dbraw/zinc/15/93/02/1266159302.db2.gz GHRUZLOEGSCAOD-KRWDZBQOSA-N 2 1 360.458 0.379 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC001331149480 1266159304 /nfs/dbraw/zinc/15/93/04/1266159304.db2.gz GHRUZLOEGSCAOD-KRWDZBQOSA-N 2 1 360.458 0.379 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409902 1258087923 /nfs/dbraw/zinc/08/79/23/1258087923.db2.gz OIWMCWOEPLDDDT-DJIMGWMZSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409902 1258087927 /nfs/dbraw/zinc/08/79/27/1258087927.db2.gz OIWMCWOEPLDDDT-DJIMGWMZSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001084409902 1258087934 /nfs/dbraw/zinc/08/79/34/1258087934.db2.gz OIWMCWOEPLDDDT-DJIMGWMZSA-N 2 1 358.490 0.782 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CCO1 ZINC001331163147 1266161599 /nfs/dbraw/zinc/16/15/99/1266161599.db2.gz YROGIOZSBKTVDM-JCGIZDLHSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CCO1 ZINC001331163147 1266161601 /nfs/dbraw/zinc/16/16/01/1266161601.db2.gz YROGIOZSBKTVDM-JCGIZDLHSA-N 2 1 374.485 0.377 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084522712 1258148939 /nfs/dbraw/zinc/14/89/39/1258148939.db2.gz FTHDXEVJCZDEAA-OWCLPIDISA-N 2 1 355.446 0.503 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084522712 1258148941 /nfs/dbraw/zinc/14/89/41/1258148941.db2.gz FTHDXEVJCZDEAA-OWCLPIDISA-N 2 1 355.446 0.503 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001084661025 1258223902 /nfs/dbraw/zinc/22/39/02/1258223902.db2.gz CPWMLQUYBBOYLM-BMGDILEWSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001084661025 1258223910 /nfs/dbraw/zinc/22/39/10/1258223910.db2.gz CPWMLQUYBBOYLM-BMGDILEWSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC[C@@H]4C)[C@@H]3C2)n1 ZINC001084661025 1258223916 /nfs/dbraw/zinc/22/39/16/1258223916.db2.gz CPWMLQUYBBOYLM-BMGDILEWSA-N 2 1 360.506 0.912 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001084738854 1258280550 /nfs/dbraw/zinc/28/05/50/1258280550.db2.gz GGZFNEQJGOSWAJ-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001084738854 1258280556 /nfs/dbraw/zinc/28/05/56/1258280556.db2.gz GGZFNEQJGOSWAJ-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778279 1258319986 /nfs/dbraw/zinc/31/99/86/1258319986.db2.gz OJONMVPBTMFLDW-BZUAXINKSA-N 2 1 356.474 0.394 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)[NH+]1CCCC1 ZINC001084853135 1258401601 /nfs/dbraw/zinc/40/16/01/1258401601.db2.gz LTPNAXCQFMZHCH-KURKYZTESA-N 2 1 360.506 0.931 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21)[NH+]1CCCC1 ZINC001084853135 1258401603 /nfs/dbraw/zinc/40/16/03/1258401603.db2.gz LTPNAXCQFMZHCH-KURKYZTESA-N 2 1 360.506 0.931 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]32)n1 ZINC001084906005 1258431187 /nfs/dbraw/zinc/43/11/87/1258431187.db2.gz XAMFCVHIACNJOH-SQNIBIBYSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]32)n1 ZINC001084906005 1258431191 /nfs/dbraw/zinc/43/11/91/1258431191.db2.gz XAMFCVHIACNJOH-SQNIBIBYSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]32)n1 ZINC001084906005 1258431194 /nfs/dbraw/zinc/43/11/94/1258431194.db2.gz XAMFCVHIACNJOH-SQNIBIBYSA-N 2 1 360.506 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CC4)[C@H]3C2)CC[N@H+]1C ZINC001084944826 1258456953 /nfs/dbraw/zinc/45/69/53/1258456953.db2.gz PFLIGUFBOMOPOS-SPUZQDLCSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)CC[NH+]1C ZINC001084944826 1258456959 /nfs/dbraw/zinc/45/69/59/1258456959.db2.gz PFLIGUFBOMOPOS-SPUZQDLCSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)CC[NH+]1C ZINC001084944826 1258456963 /nfs/dbraw/zinc/45/69/63/1258456963.db2.gz PFLIGUFBOMOPOS-SPUZQDLCSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cncn4)[C@H]3C2)CC[N@H+]1C ZINC001085016899 1258521820 /nfs/dbraw/zinc/52/18/20/1258521820.db2.gz UQHAADHQXDPSLQ-MHORFTMASA-N 2 1 360.506 0.931 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCn4cncn4)[C@H]3C2)CC[NH+]1C ZINC001085016899 1258521826 /nfs/dbraw/zinc/52/18/26/1258521826.db2.gz UQHAADHQXDPSLQ-MHORFTMASA-N 2 1 360.506 0.931 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)CC[NH+]1C ZINC001085016899 1258521833 /nfs/dbraw/zinc/52/18/33/1258521833.db2.gz UQHAADHQXDPSLQ-MHORFTMASA-N 2 1 360.506 0.931 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085093672 1258587449 /nfs/dbraw/zinc/58/74/49/1258587449.db2.gz TZBHJUYPYDZJKR-KSZLIROESA-N 2 1 362.518 0.921 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001085159213 1258610873 /nfs/dbraw/zinc/61/08/73/1258610873.db2.gz LCRRPHWMQSMJTJ-KZNAEPCWSA-N 2 1 363.506 0.848 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001085159213 1258610879 /nfs/dbraw/zinc/61/08/79/1258610879.db2.gz LCRRPHWMQSMJTJ-KZNAEPCWSA-N 2 1 363.506 0.848 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001085159558 1258614015 /nfs/dbraw/zinc/61/40/15/1258614015.db2.gz ZDDIOABOYHJLRF-BRWVUGGUSA-N 2 1 364.494 0.243 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001085159558 1258614021 /nfs/dbraw/zinc/61/40/21/1258614021.db2.gz ZDDIOABOYHJLRF-BRWVUGGUSA-N 2 1 364.494 0.243 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001085204202 1258628908 /nfs/dbraw/zinc/62/89/08/1258628908.db2.gz BCOWEQJDMJWVPB-YLFCFFPRSA-N 2 1 365.522 0.759 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086734600 1258633123 /nfs/dbraw/zinc/63/31/23/1258633123.db2.gz MINRQQZYBMEIBP-XHSDSOJGSA-N 2 1 363.510 0.942 20 0 FCADMP C[NH+](C)[C@@](C)(C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)c1ccccc1 ZINC001088166971 1258680961 /nfs/dbraw/zinc/68/09/61/1258680961.db2.gz AZICMWZLRJMFRV-GQIGUUNPSA-N 2 1 358.486 0.729 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088200000 1258722250 /nfs/dbraw/zinc/72/22/50/1258722250.db2.gz LDZNGOQBRYGDMS-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088200000 1258722256 /nfs/dbraw/zinc/72/22/56/1258722256.db2.gz LDZNGOQBRYGDMS-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088200000 1258722259 /nfs/dbraw/zinc/72/22/59/1258722259.db2.gz LDZNGOQBRYGDMS-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208121 1258729915 /nfs/dbraw/zinc/72/99/15/1258729915.db2.gz MOOJSRYWTQWOIR-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208121 1258729917 /nfs/dbraw/zinc/72/99/17/1258729917.db2.gz MOOJSRYWTQWOIR-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208121 1258729924 /nfs/dbraw/zinc/72/99/24/1258729924.db2.gz MOOJSRYWTQWOIR-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncn4C)CC[C@@H]3C2)C1 ZINC001088208121 1258729929 /nfs/dbraw/zinc/72/99/29/1258729929.db2.gz MOOJSRYWTQWOIR-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092816997 1258853305 /nfs/dbraw/zinc/85/33/05/1258853305.db2.gz JZCIUHZVOVQIJP-RBSFLKMASA-N 2 1 370.457 0.700 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665093 1258936142 /nfs/dbraw/zinc/93/61/42/1258936142.db2.gz HSPCUXLGYMBGRU-JFIYKMOQSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106767851 1258958162 /nfs/dbraw/zinc/95/81/62/1258958162.db2.gz WINKTFRXFZEZMP-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106767850 1258958673 /nfs/dbraw/zinc/95/86/73/1258958673.db2.gz WINKTFRXFZEZMP-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001106811089 1258967600 /nfs/dbraw/zinc/96/76/00/1258967600.db2.gz OECJQXRUFLPBPX-MGPQQGTHSA-N 2 1 356.430 0.439 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106840091 1258973797 /nfs/dbraw/zinc/97/37/97/1258973797.db2.gz XMVRNWJFWDHPIG-BRWVUGGUSA-N 2 1 370.538 0.554 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106840500 1258975019 /nfs/dbraw/zinc/97/50/19/1258975019.db2.gz QDPUYXCNXOKUOQ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1noc(C2CC2)n1 ZINC001106882402 1258987091 /nfs/dbraw/zinc/98/70/91/1258987091.db2.gz UTNRWUVZUWSGQJ-UKRRQHHQSA-N 2 1 365.478 0.709 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(CCOC)no2)[C@H](C)C1 ZINC001106905965 1258992917 /nfs/dbraw/zinc/99/29/17/1258992917.db2.gz PYSNEOIFFADCGJ-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106910991 1258994451 /nfs/dbraw/zinc/99/44/51/1258994451.db2.gz ZKHXTJZKWZJQBD-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986590 1259011345 /nfs/dbraw/zinc/01/13/45/1259011345.db2.gz WQAGHXCMWTVRCY-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001107012463 1259017393 /nfs/dbraw/zinc/01/73/93/1259017393.db2.gz USOMXZJYPPHNQI-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001107012463 1259017401 /nfs/dbraw/zinc/01/74/01/1259017401.db2.gz USOMXZJYPPHNQI-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)C1 ZINC001107009501 1259017553 /nfs/dbraw/zinc/01/75/53/1259017553.db2.gz SVVSXYCFEZKIJS-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)C1 ZINC001107009501 1259017559 /nfs/dbraw/zinc/01/75/59/1259017559.db2.gz SVVSXYCFEZKIJS-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331511977 1266231221 /nfs/dbraw/zinc/23/12/21/1266231221.db2.gz AUIIYGRIGOZFAL-CQSZACIVSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331511977 1266231231 /nfs/dbraw/zinc/23/12/31/1266231231.db2.gz AUIIYGRIGOZFAL-CQSZACIVSA-N 2 1 362.474 0.065 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCCCF)C3)C2)CC[N@@H+]1C ZINC001108546627 1259157875 /nfs/dbraw/zinc/15/78/75/1259157875.db2.gz ZTNDPKXANZKGOG-BFYDXBDKSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCCCF)C3)C2)CC[N@H+]1C ZINC001108546627 1259157881 /nfs/dbraw/zinc/15/78/81/1259157881.db2.gz ZTNDPKXANZKGOG-BFYDXBDKSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)CC[N@H+]1C ZINC001127638169 1259182604 /nfs/dbraw/zinc/18/26/04/1259182604.db2.gz FRRPZPWRFUXEAF-CHWSQXEVSA-N 2 1 365.478 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC001127659789 1259184520 /nfs/dbraw/zinc/18/45/20/1259184520.db2.gz KZPSYQGAAUVSDO-RHSMWYFYSA-N 2 1 364.465 0.830 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001127695253 1259184620 /nfs/dbraw/zinc/18/46/20/1259184620.db2.gz HAICZEBMQOHJSM-DLBZAZTESA-N 2 1 364.465 0.878 20 0 FCADMP CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127701890 1259185302 /nfs/dbraw/zinc/18/53/02/1259185302.db2.gz ZRYAXBXKQQKKPX-LSDHHAIUSA-N 2 1 364.494 0.668 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060083 1259300198 /nfs/dbraw/zinc/30/01/98/1259300198.db2.gz IOERRMDGVBLLAQ-IKGGRYGDSA-N 2 1 366.510 0.632 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129065291 1259303830 /nfs/dbraw/zinc/30/38/30/1259303830.db2.gz UJROWFHVBXNZRL-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129065291 1259303832 /nfs/dbraw/zinc/30/38/32/1259303832.db2.gz UJROWFHVBXNZRL-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129065291 1259303833 /nfs/dbraw/zinc/30/38/33/1259303833.db2.gz UJROWFHVBXNZRL-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129065291 1259303834 /nfs/dbraw/zinc/30/38/34/1259303834.db2.gz UJROWFHVBXNZRL-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072016 1259305554 /nfs/dbraw/zinc/30/55/54/1259305554.db2.gz SNEIXZZHJZOFAZ-ZACQAIPSSA-N 2 1 366.510 0.777 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080479 1259307227 /nfs/dbraw/zinc/30/72/27/1259307227.db2.gz QCYUZTLIHQZUSA-SJORKVTESA-N 2 1 357.462 0.950 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257339 1259356086 /nfs/dbraw/zinc/35/60/86/1259356086.db2.gz CZTZXRYHWQRVGC-IKGGRYGDSA-N 2 1 366.510 0.777 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257339 1259356093 /nfs/dbraw/zinc/35/60/93/1259356093.db2.gz CZTZXRYHWQRVGC-IKGGRYGDSA-N 2 1 366.510 0.777 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266040 1259359941 /nfs/dbraw/zinc/35/99/41/1259359941.db2.gz FENNEMZYMCAWFK-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266040 1259359948 /nfs/dbraw/zinc/35/99/48/1259359948.db2.gz FENNEMZYMCAWFK-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266040 1259359951 /nfs/dbraw/zinc/35/99/51/1259359951.db2.gz FENNEMZYMCAWFK-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266040 1259359961 /nfs/dbraw/zinc/35/99/61/1259359961.db2.gz FENNEMZYMCAWFK-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200554924 1259416420 /nfs/dbraw/zinc/41/64/20/1259416420.db2.gz MZYPCONTIXANBA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707499 1259427220 /nfs/dbraw/zinc/42/72/20/1259427220.db2.gz WMKAZZNPCYMZPS-BPQIPLTHSA-N 2 1 358.486 0.658 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001212405833 1259492682 /nfs/dbraw/zinc/49/26/82/1259492682.db2.gz FJXRJWKSZQMNJD-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001212405833 1259492686 /nfs/dbraw/zinc/49/26/86/1259492686.db2.gz FJXRJWKSZQMNJD-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001212405833 1259492687 /nfs/dbraw/zinc/49/26/87/1259492687.db2.gz FJXRJWKSZQMNJD-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001212405833 1259492690 /nfs/dbraw/zinc/49/26/90/1259492690.db2.gz FJXRJWKSZQMNJD-KZNAEPCWSA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408503 1259493121 /nfs/dbraw/zinc/49/31/21/1259493121.db2.gz SZNAVIWASAFBIN-BRWVUGGUSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408503 1259493126 /nfs/dbraw/zinc/49/31/26/1259493126.db2.gz SZNAVIWASAFBIN-BRWVUGGUSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418260 1259497574 /nfs/dbraw/zinc/49/75/74/1259497574.db2.gz GDOIVIITPJTGMZ-KZNAEPCWSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418260 1259497579 /nfs/dbraw/zinc/49/75/79/1259497579.db2.gz GDOIVIITPJTGMZ-KZNAEPCWSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418260 1259497580 /nfs/dbraw/zinc/49/75/80/1259497580.db2.gz GDOIVIITPJTGMZ-KZNAEPCWSA-N 2 1 371.522 0.320 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418827 1259499383 /nfs/dbraw/zinc/49/93/83/1259499383.db2.gz NJDRPDKMWLLZSU-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418827 1259499388 /nfs/dbraw/zinc/49/93/88/1259499388.db2.gz NJDRPDKMWLLZSU-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418827 1259499391 /nfs/dbraw/zinc/49/93/91/1259499391.db2.gz NJDRPDKMWLLZSU-RCCFBDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212461364 1259513810 /nfs/dbraw/zinc/51/38/10/1259513810.db2.gz WNLWZDANNXGUFG-IAGOWNOFSA-N 2 1 371.522 0.587 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1OC)[NH+](C)C ZINC001212462822 1259516244 /nfs/dbraw/zinc/51/62/44/1259516244.db2.gz KXELHUHTKPEEFA-BRWVUGGUSA-N 2 1 366.510 0.604 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001212495345 1259524817 /nfs/dbraw/zinc/52/48/17/1259524817.db2.gz CNRYRWFNZQUEIM-IAGOWNOFSA-N 2 1 362.430 0.081 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001212495345 1259524823 /nfs/dbraw/zinc/52/48/23/1259524823.db2.gz CNRYRWFNZQUEIM-IAGOWNOFSA-N 2 1 362.430 0.081 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497667 1259526998 /nfs/dbraw/zinc/52/69/98/1259526998.db2.gz RZTKEWAMRVNWMU-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497667 1259527003 /nfs/dbraw/zinc/52/70/03/1259527003.db2.gz RZTKEWAMRVNWMU-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497667 1259527008 /nfs/dbraw/zinc/52/70/08/1259527008.db2.gz RZTKEWAMRVNWMU-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497667 1259527012 /nfs/dbraw/zinc/52/70/12/1259527012.db2.gz RZTKEWAMRVNWMU-FGTMMUONSA-N 2 1 371.522 0.585 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216230047 1259536979 /nfs/dbraw/zinc/53/69/79/1259536979.db2.gz WLZKGGWXBIOKCQ-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)O1 ZINC001235491892 1259574608 /nfs/dbraw/zinc/57/46/08/1259574608.db2.gz RZTFIMKHBLAIMM-XBVQOTNRSA-N 2 1 369.481 0.866 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)O1 ZINC001235491892 1259574613 /nfs/dbraw/zinc/57/46/13/1259574613.db2.gz RZTFIMKHBLAIMM-XBVQOTNRSA-N 2 1 369.481 0.866 20 0 FCADMP CCOC(=O)[C@]12C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]1C[NH2+]CC2 ZINC001236039346 1259587650 /nfs/dbraw/zinc/58/76/50/1259587650.db2.gz RNEVSLOJWZUNJG-CRAIPNDOSA-N 2 1 356.430 0.841 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@H]1C2 ZINC001236030119 1259587826 /nfs/dbraw/zinc/58/78/26/1259587826.db2.gz NLHXOAJRNFFQBN-GJRWTSMGSA-N 2 1 355.442 0.799 20 0 FCADMP CCc1n[nH]cc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001237649436 1259607595 /nfs/dbraw/zinc/60/75/95/1259607595.db2.gz RDHBOZSPZIPBCH-UHFFFAOYSA-N 2 1 363.506 0.975 20 0 FCADMP Cc1cc(-c2cnn(CC[NH+]3CCOCC3)c2)cnc1N1CC[NH2+]CC1 ZINC001240543237 1259630054 /nfs/dbraw/zinc/63/00/54/1259630054.db2.gz UYZQKSBZVIIDMS-UHFFFAOYSA-N 2 1 356.474 0.995 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246025974 1259643280 /nfs/dbraw/zinc/64/32/80/1259643280.db2.gz CSIHTQYKMATFRR-GOSISDBHSA-N 2 1 363.502 0.643 20 0 FCADMP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246156743 1259650838 /nfs/dbraw/zinc/65/08/38/1259650838.db2.gz LLLSOQVGEOYOCT-DLBZAZTESA-N 2 1 358.486 0.670 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566131 1259657998 /nfs/dbraw/zinc/65/79/98/1259657998.db2.gz FWFGBAMBHOJNDG-MGPQQGTHSA-N 2 1 362.478 0.272 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700413 1259662702 /nfs/dbraw/zinc/66/27/02/1259662702.db2.gz IZQSIKQLINQRLD-WBOSRHFRSA-N 2 1 359.474 0.826 20 0 FCADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700413 1259662711 /nfs/dbraw/zinc/66/27/11/1259662711.db2.gz IZQSIKQLINQRLD-WBOSRHFRSA-N 2 1 359.474 0.826 20 0 FCADMP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713376 1259666337 /nfs/dbraw/zinc/66/63/37/1259666337.db2.gz ZXFABOZYFRYBBF-WBVHZDCISA-N 2 1 360.506 0.593 20 0 FCADMP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713376 1259666345 /nfs/dbraw/zinc/66/63/45/1259666345.db2.gz ZXFABOZYFRYBBF-WBVHZDCISA-N 2 1 360.506 0.593 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CC[NH2+]1 ZINC001246745169 1259676525 /nfs/dbraw/zinc/67/65/25/1259676525.db2.gz MQYPUTBDAMGKGK-MIALQEHNSA-N 2 1 372.517 0.976 20 0 FCADMP CN(C)C(=O)C1CCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246746585 1259677162 /nfs/dbraw/zinc/67/71/62/1259677162.db2.gz KWTIKCCEDOHEDU-GOSISDBHSA-N 2 1 363.550 0.345 20 0 FCADMP CN(C)C(=O)[C@]12C[N@H+]([C@H]3CCC[NH2+]C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744791 1259677231 /nfs/dbraw/zinc/67/72/31/1259677231.db2.gz LTTNGVJLRJGOJO-FRQCXROJSA-N 2 1 358.490 0.588 20 0 FCADMP O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752302 1259678803 /nfs/dbraw/zinc/67/88/03/1259678803.db2.gz ZCXZIUDIEKZDQS-QUCCMNQESA-N 2 1 369.513 0.990 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748135 1259680405 /nfs/dbraw/zinc/68/04/05/1259680405.db2.gz AOXJSTJGMUTZCG-NBZXXOOGSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748135 1259680410 /nfs/dbraw/zinc/68/04/10/1259680410.db2.gz AOXJSTJGMUTZCG-NBZXXOOGSA-N 2 1 361.490 0.627 20 0 FCADMP Cn1ccc(C[N@@H+]2CCCC23CCN([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754324 1259681561 /nfs/dbraw/zinc/68/15/61/1259681561.db2.gz QFQWGVXGKMEITB-GOSISDBHSA-N 2 1 358.534 0.945 20 0 FCADMP Cn1ccc(C[N@H+]2CCCC23CCN([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754324 1259681568 /nfs/dbraw/zinc/68/15/68/1259681568.db2.gz QFQWGVXGKMEITB-GOSISDBHSA-N 2 1 358.534 0.945 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC[NH2+]1 ZINC001246762558 1259683555 /nfs/dbraw/zinc/68/35/55/1259683555.db2.gz CRKOVUBSJOZCQY-PSOLEGPJSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CC[NH2+]1 ZINC001246765215 1259684147 /nfs/dbraw/zinc/68/41/47/1259684147.db2.gz INISOKNCESDHCA-IQWQSGHPSA-N 2 1 359.474 0.684 20 0 FCADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246778998 1259689539 /nfs/dbraw/zinc/68/95/39/1259689539.db2.gz RHCKXVJRAHKFMB-QGZVFWFLSA-N 3 1 372.517 0.139 20 0 FCADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246778998 1259689546 /nfs/dbraw/zinc/68/95/46/1259689546.db2.gz RHCKXVJRAHKFMB-QGZVFWFLSA-N 2 1 372.517 0.139 20 0 FCADMP O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246822105 1259691716 /nfs/dbraw/zinc/69/17/16/1259691716.db2.gz QXPBVNJJYALPCX-HXUWFJFHSA-N 2 1 373.545 0.766 20 0 FCADMP C[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001246923216 1259696246 /nfs/dbraw/zinc/69/62/46/1259696246.db2.gz BKSPLOQHCWJHCO-IEBWSBKVSA-N 3 1 361.534 0.765 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4C[NH2+]CC[C@@H]4O)n3)c2)CC1 ZINC001247754550 1259704881 /nfs/dbraw/zinc/70/48/81/1259704881.db2.gz ANMUKWYDIVCWQQ-IRXDYDNUSA-N 2 1 357.458 0.922 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@]45C[NH2+]C[C@@H]4CCN5)n3)c2)CC1 ZINC001247834523 1259707903 /nfs/dbraw/zinc/70/79/03/1259707903.db2.gz HUWXNOMJWYOARQ-PXNSSMCTSA-N 2 1 368.485 0.892 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001335608323 1259739763 /nfs/dbraw/zinc/73/97/63/1259739763.db2.gz ZLRBWKTUGCORLK-DLBZAZTESA-N 2 1 359.474 0.896 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251452665 1259748790 /nfs/dbraw/zinc/74/87/90/1259748790.db2.gz BDFCZQPXIDBDBG-GOSISDBHSA-N 2 1 370.494 0.112 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(C[C@H](O)COCc1ccco1)CC2 ZINC001252634315 1259799018 /nfs/dbraw/zinc/79/90/18/1259799018.db2.gz HVZQWUGYEZYOIG-INIZCTEOSA-N 2 1 365.474 0.834 20 0 FCADMP COc1ccc(OC[C@@H](O)C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001252718274 1259805349 /nfs/dbraw/zinc/80/53/49/1259805349.db2.gz PFAQFDHHVQZURJ-INIZCTEOSA-N 2 1 365.474 0.531 20 0 FCADMP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)[C@@H]2O1 ZINC001252943628 1259814314 /nfs/dbraw/zinc/81/43/14/1259814314.db2.gz JEPISDWKQNVWOQ-QTVCLEQKSA-N 2 1 362.470 0.866 20 0 FCADMP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)[C@@H]2O1 ZINC001252943628 1259814320 /nfs/dbraw/zinc/81/43/20/1259814320.db2.gz JEPISDWKQNVWOQ-QTVCLEQKSA-N 2 1 362.470 0.866 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001253184341 1259827231 /nfs/dbraw/zinc/82/72/31/1259827231.db2.gz FBEZCVSYYQIIJA-FPAYPSAMSA-N 2 1 367.534 0.942 20 0 FCADMP OCC[NH+](CCO)CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254048058 1259868229 /nfs/dbraw/zinc/86/82/29/1259868229.db2.gz FEDDCRNGBLNAGV-UHFFFAOYSA-N 3 1 365.518 0.280 20 0 FCADMP NC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001254999181 1259902077 /nfs/dbraw/zinc/90/20/77/1259902077.db2.gz CKJDZMDMUOVLAN-IPQPSQTFSA-N 2 1 369.469 0.843 20 0 FCADMP NC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001254999181 1259902085 /nfs/dbraw/zinc/90/20/85/1259902085.db2.gz CKJDZMDMUOVLAN-IPQPSQTFSA-N 2 1 369.469 0.843 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C[C@H]2C(=O)N(C)C ZINC001255685345 1259924375 /nfs/dbraw/zinc/92/43/75/1259924375.db2.gz NOHNROJBUAOISN-WFFDWFOESA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C[C@H]2C(=O)N(C)C ZINC001255685345 1259924379 /nfs/dbraw/zinc/92/43/79/1259924379.db2.gz NOHNROJBUAOISN-WFFDWFOESA-N 2 1 362.518 0.870 20 0 FCADMP CC(=O)N1CC2(C1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[C@H]2C(=O)N(C)C ZINC001255685345 1259924384 /nfs/dbraw/zinc/92/43/84/1259924384.db2.gz NOHNROJBUAOISN-WFFDWFOESA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CC1 ZINC001256194486 1259936076 /nfs/dbraw/zinc/93/60/76/1259936076.db2.gz COPKZHQVQGRBGH-LJQANCHMSA-N 2 1 374.529 0.722 20 0 FCADMP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858232 1259976345 /nfs/dbraw/zinc/97/63/45/1259976345.db2.gz CUWKOTZGSYCDEW-LJQANCHMSA-N 2 1 357.458 0.473 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CC(C)(C)O ZINC001336174621 1260025562 /nfs/dbraw/zinc/02/55/62/1260025562.db2.gz FJTAEHATQXNFEO-CVEARBPZSA-N 2 1 368.522 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336192811 1260034339 /nfs/dbraw/zinc/03/43/39/1260034339.db2.gz IVZQCYVPEPFXSM-KFWWJZLASA-N 2 1 352.479 0.653 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NCCCN3CCCC3=O)C2)C1 ZINC001261515738 1260153699 /nfs/dbraw/zinc/15/36/99/1260153699.db2.gz RMRTYXLGZWUMOU-GVDBMIGSSA-N 2 1 366.506 0.333 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC001336793205 1260224041 /nfs/dbraw/zinc/22/40/41/1260224041.db2.gz APPAOJCQXJZMMF-HIFRSBDPSA-N 2 1 359.264 0.845 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1=O ZINC001336829529 1260232512 /nfs/dbraw/zinc/23/25/12/1260232512.db2.gz DBDFIFXODVUGCW-CJNGLKHVSA-N 2 1 371.428 0.767 20 0 FCADMP CN(C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC001336847440 1260236977 /nfs/dbraw/zinc/23/69/77/1260236977.db2.gz DOAXFYOIQLAENU-CYBMUJFWSA-N 2 1 371.279 0.619 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC001336847440 1260236984 /nfs/dbraw/zinc/23/69/84/1260236984.db2.gz DOAXFYOIQLAENU-CYBMUJFWSA-N 2 1 371.279 0.619 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC001336847440 1260236992 /nfs/dbraw/zinc/23/69/92/1260236992.db2.gz DOAXFYOIQLAENU-CYBMUJFWSA-N 2 1 371.279 0.619 20 0 FCADMP O=C(NCc1nnc(C2CC2)[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336878360 1260244361 /nfs/dbraw/zinc/24/43/61/1260244361.db2.gz YTQIUQPUOJUTFQ-GASCZTMLSA-N 2 1 359.478 0.792 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001262033849 1260249447 /nfs/dbraw/zinc/24/94/47/1260249447.db2.gz KWHRQXKCJUPWTO-YQQAZPJKSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001262033849 1260249455 /nfs/dbraw/zinc/24/94/55/1260249455.db2.gz KWHRQXKCJUPWTO-YQQAZPJKSA-N 2 1 362.474 0.246 20 0 FCADMP CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@H]1OC ZINC001262579898 1260329239 /nfs/dbraw/zinc/32/92/39/1260329239.db2.gz CNXBUBODRIOZKK-IGKNDFSCSA-N 2 1 366.506 0.789 20 0 FCADMP C[C@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC001263102724 1260341139 /nfs/dbraw/zinc/34/11/39/1260341139.db2.gz CBZOFHBFGNMESP-YLJYHZDGSA-N 2 1 360.502 0.818 20 0 FCADMP CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272741558 1260495035 /nfs/dbraw/zinc/49/50/35/1260495035.db2.gz IZATTZGYTLQHPO-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001278273523 1260689591 /nfs/dbraw/zinc/68/95/91/1260689591.db2.gz YSMZUXAZZCRRAS-HOTGVXAUSA-N 2 1 360.458 0.446 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@H](C1)O2 ZINC001278463883 1260694830 /nfs/dbraw/zinc/69/48/30/1260694830.db2.gz NELIQAWTKWAMCX-CEXWTWQISA-N 2 1 363.502 0.809 20 0 FCADMP Cc1nc[nH]c1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001279356318 1260848183 /nfs/dbraw/zinc/84/81/83/1260848183.db2.gz NBMWHOVVZDVBHM-HOTGVXAUSA-N 2 1 360.506 0.292 20 0 FCADMP Cc1nc[nH]c1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001279356318 1260848191 /nfs/dbraw/zinc/84/81/91/1260848191.db2.gz NBMWHOVVZDVBHM-HOTGVXAUSA-N 2 1 360.506 0.292 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001279571975 1260895066 /nfs/dbraw/zinc/89/50/66/1260895066.db2.gz DHESIGKSHWVBJT-UHFFFAOYSA-N 2 1 363.462 0.572 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CCO1 ZINC001332268492 1266368962 /nfs/dbraw/zinc/36/89/62/1266368962.db2.gz YROGIOZSBKTVDM-ZTFGCOKTSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CCO1 ZINC001332268492 1266368974 /nfs/dbraw/zinc/36/89/74/1266368974.db2.gz YROGIOZSBKTVDM-ZTFGCOKTSA-N 2 1 374.485 0.377 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CC[N@H+](C[C@@H]2CCOC2)C3)CC1 ZINC001279893592 1260953322 /nfs/dbraw/zinc/95/33/22/1260953322.db2.gz LPVVFKUGLMPSLO-AWEZNQCLSA-N 2 1 361.490 0.971 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CC[N@@H+](C[C@@H]2CCOC2)C3)CC1 ZINC001279893592 1260953325 /nfs/dbraw/zinc/95/33/25/1260953325.db2.gz LPVVFKUGLMPSLO-AWEZNQCLSA-N 2 1 361.490 0.971 20 0 FCADMP CN(C)C(=O)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280072199 1260990618 /nfs/dbraw/zinc/99/06/18/1260990618.db2.gz BQXBIAQNMYFAKU-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CNC(=O)C(C)(C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001280075634 1260991317 /nfs/dbraw/zinc/99/13/17/1260991317.db2.gz RUPPVFUPGBJQIM-HZPDHXFCSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(=O)NCC3COC3)C2)CC1 ZINC001280126235 1261010450 /nfs/dbraw/zinc/01/04/50/1261010450.db2.gz UNKYEPPPVPBHAD-CEXWTWQISA-N 2 1 365.518 0.818 20 0 FCADMP C[C@@H]1Cc2nnc(C(=O)NCC(F)F)n2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001280125397 1261010714 /nfs/dbraw/zinc/01/07/14/1261010714.db2.gz IMAYERXRRKIIQV-GFCCVEGCSA-N 2 1 370.448 0.861 20 0 FCADMP C[C@H]1Cc2nnc(C(=O)N3CC=CC3)n2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001280125128 1261010738 /nfs/dbraw/zinc/01/07/38/1261010738.db2.gz DNLCRQYZQCEULN-HNNXBMFYSA-N 2 1 358.490 0.879 20 0 FCADMP CN(Cc1ncccn1)C(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001280134279 1261012501 /nfs/dbraw/zinc/01/25/01/1261012501.db2.gz BNTUXPUADVEZPB-LSDHHAIUSA-N 2 1 358.446 0.121 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332415 1266378320 /nfs/dbraw/zinc/37/83/20/1266378320.db2.gz PLRQVAVGFJXYJO-AHCXZYCDSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332415 1266378332 /nfs/dbraw/zinc/37/83/32/1266378332.db2.gz PLRQVAVGFJXYJO-AHCXZYCDSA-N 2 1 358.486 0.961 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@H]2C1 ZINC001280188439 1261025543 /nfs/dbraw/zinc/02/55/43/1261025543.db2.gz GNSWSACRILRSCK-PMPSAXMXSA-N 2 1 361.490 0.296 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3C(=O)NC4(CC[NH+](C[C@H](C)O)CC4)[C@H]3C2)n(C)n1 ZINC001280188742 1261025756 /nfs/dbraw/zinc/02/57/56/1261025756.db2.gz JODHDCRLHCSQLS-XIRDDKMYSA-N 2 1 361.490 0.122 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001332332416 1266379502 /nfs/dbraw/zinc/37/95/02/1266379502.db2.gz PLRQVAVGFJXYJO-ATLSCFEFSA-N 2 1 358.486 0.961 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001332332416 1266379513 /nfs/dbraw/zinc/37/95/13/1266379513.db2.gz PLRQVAVGFJXYJO-ATLSCFEFSA-N 2 1 358.486 0.961 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280216452 1261036194 /nfs/dbraw/zinc/03/61/94/1261036194.db2.gz SVEPGAWDJKJHRS-KSZLIROESA-N 2 1 362.518 0.777 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001280272899 1261045710 /nfs/dbraw/zinc/04/57/10/1261045710.db2.gz QTEQZCDMUCTEEW-FXAWDEMLSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC001281628992 1261128798 /nfs/dbraw/zinc/12/87/98/1261128798.db2.gz IGPZPXJYMZBVCR-YESZJQIVSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001345135058 1261639921 /nfs/dbraw/zinc/63/99/21/1261639921.db2.gz BVFNSCXBCCIBDC-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001284579479 1261768232 /nfs/dbraw/zinc/76/82/32/1261768232.db2.gz WDPTVGDSHPWPPE-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001284579479 1261768235 /nfs/dbraw/zinc/76/82/35/1261768235.db2.gz WDPTVGDSHPWPPE-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285653005 1261862357 /nfs/dbraw/zinc/86/23/57/1261862357.db2.gz XVZOAYSIKUBLAC-IIAWOOMASA-N 2 1 370.457 0.842 20 0 FCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001312013341 1263270376 /nfs/dbraw/zinc/27/03/76/1263270376.db2.gz RCVRURQXNJWFBA-MSOLQXFVSA-N 2 1 368.522 0.776 20 0 FCADMP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001313400605 1263315308 /nfs/dbraw/zinc/31/53/08/1263315308.db2.gz FDJFBEBEOUSDSG-IBGZPJMESA-N 2 1 368.522 0.633 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671263 1263328559 /nfs/dbraw/zinc/32/85/59/1263328559.db2.gz DEOFHVICIXTLDT-CVEARBPZSA-N 2 1 352.523 0.881 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671263 1263328565 /nfs/dbraw/zinc/32/85/65/1263328565.db2.gz DEOFHVICIXTLDT-CVEARBPZSA-N 2 1 352.523 0.881 20 0 FCADMP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671263 1263328574 /nfs/dbraw/zinc/32/85/74/1263328574.db2.gz DEOFHVICIXTLDT-CVEARBPZSA-N 2 1 352.523 0.881 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671189 1263329354 /nfs/dbraw/zinc/32/93/54/1263329354.db2.gz ASKUTFADSBNJBI-IKGGRYGDSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671189 1263329364 /nfs/dbraw/zinc/32/93/64/1263329364.db2.gz ASKUTFADSBNJBI-IKGGRYGDSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671189 1263329378 /nfs/dbraw/zinc/32/93/78/1263329378.db2.gz ASKUTFADSBNJBI-IKGGRYGDSA-N 2 1 355.523 0.752 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001479672228 1263332254 /nfs/dbraw/zinc/33/22/54/1263332254.db2.gz DZXVNZBIBSDROG-IKGGRYGDSA-N 2 1 367.538 0.815 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001316707369 1263432512 /nfs/dbraw/zinc/43/25/12/1263432512.db2.gz RNLGTMKDTZHLLJ-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001484406988 1263470353 /nfs/dbraw/zinc/47/03/53/1263470353.db2.gz KTSILSNYNBWEDW-WCXIOVBPSA-N 2 1 365.522 0.424 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001484406988 1263470358 /nfs/dbraw/zinc/47/03/58/1263470358.db2.gz KTSILSNYNBWEDW-WCXIOVBPSA-N 2 1 365.522 0.424 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001484406988 1263470361 /nfs/dbraw/zinc/47/03/61/1263470361.db2.gz KTSILSNYNBWEDW-WCXIOVBPSA-N 2 1 365.522 0.424 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001484742922 1263484947 /nfs/dbraw/zinc/48/49/47/1263484947.db2.gz SITIOVDHKGKMRK-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001484742922 1263484952 /nfs/dbraw/zinc/48/49/52/1263484952.db2.gz SITIOVDHKGKMRK-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001484742922 1263484955 /nfs/dbraw/zinc/48/49/55/1263484955.db2.gz SITIOVDHKGKMRK-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(CC(=O)NCc3ccccc3)C2)CC[N@H+]1C ZINC001318120699 1263545025 /nfs/dbraw/zinc/54/50/25/1263545025.db2.gz BMVINVHDWSVJDV-CRAIPNDOSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001580385585 1278205579 /nfs/dbraw/zinc/20/55/79/1278205579.db2.gz PEQUYHDGAPKISF-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001580385585 1278205583 /nfs/dbraw/zinc/20/55/83/1278205583.db2.gz PEQUYHDGAPKISF-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC001318661793 1263597969 /nfs/dbraw/zinc/59/79/69/1263597969.db2.gz OZLQHSZCENPHHU-ROUUACIJSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318661793 1263597971 /nfs/dbraw/zinc/59/79/71/1263597971.db2.gz OZLQHSZCENPHHU-ROUUACIJSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318661793 1263597973 /nfs/dbraw/zinc/59/79/73/1263597973.db2.gz OZLQHSZCENPHHU-ROUUACIJSA-N 2 1 365.522 0.273 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@H+]1C ZINC001580387961 1278209316 /nfs/dbraw/zinc/20/93/16/1278209316.db2.gz JPSPQQDANYLCNA-KFNAQCHYSA-N 2 1 370.461 0.331 20 0 FCADMP NC(=O)C[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)COC2)C1 ZINC001320115396 1263763629 /nfs/dbraw/zinc/76/36/29/1263763629.db2.gz FEDBOQLHCZRRDN-HOTGVXAUSA-N 2 1 366.506 0.178 20 0 FCADMP CC(C)CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494551509 1263772180 /nfs/dbraw/zinc/77/21/80/1263772180.db2.gz PFLHLMSGMYRUIA-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494551509 1263772190 /nfs/dbraw/zinc/77/21/90/1263772190.db2.gz PFLHLMSGMYRUIA-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)Nc1ccccc1 ZINC001320271436 1263779965 /nfs/dbraw/zinc/77/99/65/1263779965.db2.gz BTGGROLMNFABSA-BZUAXINKSA-N 2 1 371.441 0.229 20 0 FCADMP CC[N@@H+](C[C@@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001505396948 1264272117 /nfs/dbraw/zinc/27/21/17/1264272117.db2.gz XPBOCASEQSQOAS-KBAYOESNSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C[C@@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001505396948 1264272122 /nfs/dbraw/zinc/27/21/22/1264272122.db2.gz XPBOCASEQSQOAS-KBAYOESNSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+](C[C@@H](O)COC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001505396948 1264272127 /nfs/dbraw/zinc/27/21/27/1264272127.db2.gz XPBOCASEQSQOAS-KBAYOESNSA-N 2 1 355.523 0.894 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001322960090 1264302082 /nfs/dbraw/zinc/30/20/82/1264302082.db2.gz XOSVANBMYBJHSX-JKSUJKDBSA-N 2 1 367.538 0.118 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[C@@H](C)[NH2+]C)CC2)CC1 ZINC001325324283 1264846479 /nfs/dbraw/zinc/84/64/79/1264846479.db2.gz NZAWCZRYWVIRPG-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580404196 1278237655 /nfs/dbraw/zinc/23/76/55/1278237655.db2.gz WIIZFUIKMWHGDD-YPMHNXCESA-N 2 1 361.425 0.552 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001325554207 1264927619 /nfs/dbraw/zinc/92/76/19/1264927619.db2.gz YCROBEGKJKGOHO-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001325554207 1264927628 /nfs/dbraw/zinc/92/76/28/1264927628.db2.gz YCROBEGKJKGOHO-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001325554207 1264927633 /nfs/dbraw/zinc/92/76/33/1264927633.db2.gz YCROBEGKJKGOHO-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001325554207 1264927639 /nfs/dbraw/zinc/92/76/39/1264927639.db2.gz YCROBEGKJKGOHO-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC001325665575 1264964381 /nfs/dbraw/zinc/96/43/81/1264964381.db2.gz FRGCDRSXYHYBPM-GOSISDBHSA-N 2 1 361.490 0.303 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@H]21 ZINC001326472046 1265118710 /nfs/dbraw/zinc/11/87/10/1265118710.db2.gz ICJFOHLQMDEHJW-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001327197495 1265250692 /nfs/dbraw/zinc/25/06/92/1265250692.db2.gz CGAUPTIGVNIHQC-MRXNPFEDSA-N 2 1 364.490 0.970 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC001332979941 1266515539 /nfs/dbraw/zinc/51/55/39/1266515539.db2.gz FWUWRZOWGASKFO-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC001332979941 1266515545 /nfs/dbraw/zinc/51/55/45/1266515545.db2.gz FWUWRZOWGASKFO-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC001332979941 1266515553 /nfs/dbraw/zinc/51/55/53/1266515553.db2.gz FWUWRZOWGASKFO-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC001332979941 1266515560 /nfs/dbraw/zinc/51/55/60/1266515560.db2.gz FWUWRZOWGASKFO-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP COC(=O)[C@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)C1 ZINC001333039608 1266528091 /nfs/dbraw/zinc/52/80/91/1266528091.db2.gz XCYINBYPBFUGRH-UYAOXDASSA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+](C)C1 ZINC001333039608 1266528093 /nfs/dbraw/zinc/52/80/93/1266528093.db2.gz XCYINBYPBFUGRH-UYAOXDASSA-N 2 1 361.486 0.660 20 0 FCADMP COC(=O)[C@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+](C)C1 ZINC001333039608 1266528096 /nfs/dbraw/zinc/52/80/96/1266528096.db2.gz XCYINBYPBFUGRH-UYAOXDASSA-N 2 1 361.486 0.660 20 0 FCADMP [NH3+]CCCCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001333411866 1266595364 /nfs/dbraw/zinc/59/53/64/1266595364.db2.gz MJMJIOAYUYAQFT-ZWKOTPCHSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC001333620242 1266653144 /nfs/dbraw/zinc/65/31/44/1266653144.db2.gz XSBAZPUQJZAJCY-SQNIBIBYSA-N 2 1 367.538 0.552 20 0 FCADMP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001526630300 1266823123 /nfs/dbraw/zinc/82/31/23/1266823123.db2.gz NEIGSDGKVBDXIA-RRFJBIMHSA-N 2 1 364.494 0.019 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001528046796 1266941024 /nfs/dbraw/zinc/94/10/24/1266941024.db2.gz SYQTWIVSCWGFHP-PKOBYXMFSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001335138924 1267358659 /nfs/dbraw/zinc/35/86/59/1267358659.db2.gz YPONVKIPSXUOIK-YQQAZPJKSA-N 2 1 357.458 0.281 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)[NH+]1CCOCC1 ZINC001540544134 1267452436 /nfs/dbraw/zinc/45/24/36/1267452436.db2.gz OJUPUTLHHDMEIU-SZMVWBNQSA-N 2 1 352.523 0.628 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)[NH+]1CCOCC1 ZINC001540544134 1267452441 /nfs/dbraw/zinc/45/24/41/1267452441.db2.gz OJUPUTLHHDMEIU-SZMVWBNQSA-N 2 1 352.523 0.628 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001542692046 1267504214 /nfs/dbraw/zinc/50/42/14/1267504214.db2.gz UDDNFYMMLIKQTG-MSOLQXFVSA-N 3 1 354.539 0.829 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CN1CCOCC1 ZINC001542692046 1267504221 /nfs/dbraw/zinc/50/42/21/1267504221.db2.gz UDDNFYMMLIKQTG-MSOLQXFVSA-N 2 1 354.539 0.829 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CN1CCOCC1 ZINC001542692046 1267504230 /nfs/dbraw/zinc/50/42/30/1267504230.db2.gz UDDNFYMMLIKQTG-MSOLQXFVSA-N 2 1 354.539 0.829 20 0 FCADMP Cn1nccc1[C@H]1[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCC[N@H+]1C ZINC001548941619 1267776310 /nfs/dbraw/zinc/77/63/10/1267776310.db2.gz XLRGEIKNZPKSSY-JKIFEVAISA-N 2 1 372.477 0.359 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549742113 1267985236 /nfs/dbraw/zinc/98/52/36/1267985236.db2.gz WWDAUYMXKIEZLB-GDBMZVCRSA-N 2 1 363.462 0.030 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549742113 1267985241 /nfs/dbraw/zinc/98/52/41/1267985241.db2.gz WWDAUYMXKIEZLB-GDBMZVCRSA-N 2 1 363.462 0.030 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)CC[N@@H+](C2CC2)C1 ZINC001549761973 1267993171 /nfs/dbraw/zinc/99/31/71/1267993171.db2.gz JNVYDBMINQRAML-YOEHRIQHSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)CC[N@H+](C2CC2)C1 ZINC001549761973 1267993180 /nfs/dbraw/zinc/99/31/80/1267993180.db2.gz JNVYDBMINQRAML-YOEHRIQHSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761973 1267993191 /nfs/dbraw/zinc/99/31/91/1267993191.db2.gz JNVYDBMINQRAML-YOEHRIQHSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1CN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761973 1267993197 /nfs/dbraw/zinc/99/31/97/1267993197.db2.gz JNVYDBMINQRAML-YOEHRIQHSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+](C2CC2)C1 ZINC001549761969 1267994109 /nfs/dbraw/zinc/99/41/09/1267994109.db2.gz JNVYDBMINQRAML-RHSMWYFYSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[NH+]2CC[C@@H](O)C2)CC[N@H+](C2CC2)C1 ZINC001549761969 1267994115 /nfs/dbraw/zinc/99/41/15/1267994115.db2.gz JNVYDBMINQRAML-RHSMWYFYSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761969 1267994120 /nfs/dbraw/zinc/99/41/20/1267994120.db2.gz JNVYDBMINQRAML-RHSMWYFYSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@H]1CN(C(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC[NH+](C2CC2)C1 ZINC001549761969 1267994130 /nfs/dbraw/zinc/99/41/30/1267994130.db2.gz JNVYDBMINQRAML-RHSMWYFYSA-N 2 1 361.490 0.543 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001549762371 1267994335 /nfs/dbraw/zinc/99/43/35/1267994335.db2.gz OIODWPZBDQAWJV-DJIMGWMZSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001549762371 1267994339 /nfs/dbraw/zinc/99/43/39/1267994339.db2.gz OIODWPZBDQAWJV-DJIMGWMZSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001550266120 1268100249 /nfs/dbraw/zinc/10/02/49/1268100249.db2.gz SJQNKLZNZIHTFW-NVXWUHKLSA-N 2 1 352.479 0.119 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285443 1268103601 /nfs/dbraw/zinc/10/36/01/1268103601.db2.gz NZOJWHYFNDPQFM-IAGOWNOFSA-N 2 1 365.522 0.176 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC001550283958 1268104461 /nfs/dbraw/zinc/10/44/61/1268104461.db2.gz NJQUHMCEPGCUAH-BRWVUGGUSA-N 2 1 368.522 0.896 20 0 FCADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[N@@H+](C)C1 ZINC001550284095 1268104551 /nfs/dbraw/zinc/10/45/51/1268104551.db2.gz WPTIBACBVAXERB-ARFHVFGLSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001550478842 1268124575 /nfs/dbraw/zinc/12/45/75/1268124575.db2.gz XVXPPYQPEMUHRZ-DWRORGKVSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)C2 ZINC001550485110 1268127265 /nfs/dbraw/zinc/12/72/65/1268127265.db2.gz QWOWSWKRHSYGBU-ZMMAXQRCSA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C2 ZINC001550485110 1268127271 /nfs/dbraw/zinc/12/72/71/1268127271.db2.gz QWOWSWKRHSYGBU-ZMMAXQRCSA-N 2 1 352.523 0.076 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C2 ZINC001550485110 1268127274 /nfs/dbraw/zinc/12/72/74/1268127274.db2.gz QWOWSWKRHSYGBU-ZMMAXQRCSA-N 2 1 352.523 0.076 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540297 1268129443 /nfs/dbraw/zinc/12/94/43/1268129443.db2.gz BCMWVQKMUICMEV-ZACQAIPSSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540297 1268129449 /nfs/dbraw/zinc/12/94/49/1268129449.db2.gz BCMWVQKMUICMEV-ZACQAIPSSA-N 2 1 374.485 0.836 20 0 FCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540297 1268129453 /nfs/dbraw/zinc/12/94/53/1268129453.db2.gz BCMWVQKMUICMEV-ZACQAIPSSA-N 2 1 374.485 0.836 20 0 FCADMP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC001550539810 1268130711 /nfs/dbraw/zinc/13/07/11/1268130711.db2.gz MHIJSNGRLMIADJ-HOTGVXAUSA-N 2 1 360.458 0.448 20 0 FCADMP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC001550539810 1268130714 /nfs/dbraw/zinc/13/07/14/1268130714.db2.gz MHIJSNGRLMIADJ-HOTGVXAUSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC001550539810 1268130720 /nfs/dbraw/zinc/13/07/20/1268130720.db2.gz MHIJSNGRLMIADJ-HOTGVXAUSA-N 2 1 360.458 0.448 20 0 FCADMP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@@H]2C1 ZINC001550539810 1268130724 /nfs/dbraw/zinc/13/07/24/1268130724.db2.gz MHIJSNGRLMIADJ-HOTGVXAUSA-N 2 1 360.458 0.448 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC001550731048 1268157342 /nfs/dbraw/zinc/15/73/42/1268157342.db2.gz JTLALUBEHAHLHC-HUUCEWRRSA-N 2 1 358.458 0.257 20 0 FCADMP C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730744 1268157655 /nfs/dbraw/zinc/15/76/55/1268157655.db2.gz IGQBDQADEDRUQY-HOTGVXAUSA-N 2 1 354.495 0.413 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001550730761 1268157805 /nfs/dbraw/zinc/15/78/05/1268157805.db2.gz IKECPOVXCVZMOT-JKSUJKDBSA-N 2 1 352.479 0.261 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550731425 1268157988 /nfs/dbraw/zinc/15/79/88/1268157988.db2.gz ODLODDKZTHMOPC-HOTGVXAUSA-N 2 1 352.479 0.119 20 0 FCADMP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001550743527 1268160407 /nfs/dbraw/zinc/16/04/07/1268160407.db2.gz LVJKRVBFKYDDLS-KLHDSHLOSA-N 2 1 352.479 0.387 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2COCC[C@H]2[NH3+])C1 ZINC001550753250 1268163088 /nfs/dbraw/zinc/16/30/88/1268163088.db2.gz XWTBEKIVMDPAFQ-KURKYZTESA-N 2 1 362.474 0.611 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2COCC[C@H]2[NH3+])C1 ZINC001550753250 1268163095 /nfs/dbraw/zinc/16/30/95/1268163095.db2.gz XWTBEKIVMDPAFQ-KURKYZTESA-N 2 1 362.474 0.611 20 0 FCADMP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001550979683 1268188637 /nfs/dbraw/zinc/18/86/37/1268188637.db2.gz BVLJUQMZQLMUJW-PVAVHDDUSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001550979683 1268188642 /nfs/dbraw/zinc/18/86/42/1268188642.db2.gz BVLJUQMZQLMUJW-PVAVHDDUSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001550979683 1268188645 /nfs/dbraw/zinc/18/86/45/1268188645.db2.gz BVLJUQMZQLMUJW-PVAVHDDUSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551277978 1268220693 /nfs/dbraw/zinc/22/06/93/1268220693.db2.gz SCMLSQQANOCVKQ-MUYFXNHWSA-N 2 1 368.522 0.728 20 0 FCADMP CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@H]3[NH2+]CC(=O)N[C@H]3C2)CC1 ZINC001551470286 1268257884 /nfs/dbraw/zinc/25/78/84/1268257884.db2.gz HNFLBVFCMAZMFG-BHEGOAEISA-N 2 1 363.506 0.655 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1C[C@H](C)O ZINC001551471835 1268258095 /nfs/dbraw/zinc/25/80/95/1268258095.db2.gz ZMPSHNSCVGNEDN-YESZJQIVSA-N 2 1 368.522 0.632 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551496151 1268261741 /nfs/dbraw/zinc/26/17/41/1268261741.db2.gz RBLNJAOXMUEVEB-KURKYZTESA-N 2 1 371.485 0.559 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C1 ZINC001551543529 1268264791 /nfs/dbraw/zinc/26/47/91/1268264791.db2.gz UWPGPIWKIXABDH-CQDKDKBSSA-N 2 1 364.412 0.673 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551551121 1268265394 /nfs/dbraw/zinc/26/53/94/1268265394.db2.gz CXRWCJRHZWQYAD-RCDNUKIMSA-N 2 1 365.522 0.936 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551578213 1268276555 /nfs/dbraw/zinc/27/65/55/1268276555.db2.gz MKYMQPZVTMQOMD-QGPMSJSTSA-N 2 1 365.522 0.664 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551578091 1268276908 /nfs/dbraw/zinc/27/69/08/1268276908.db2.gz LZOGMFJJQRULJH-INMHGKMJSA-N 2 1 351.495 0.417 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585332 1268280009 /nfs/dbraw/zinc/28/00/09/1268280009.db2.gz APKSEBRKBKZBDK-JFIYKMOQSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597259 1268281903 /nfs/dbraw/zinc/28/19/03/1268281903.db2.gz UWZRHKAALZKPMF-SJLPKXTDSA-N 2 1 365.522 0.759 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939127 1268317696 /nfs/dbraw/zinc/31/76/96/1268317696.db2.gz LROBPAJJEKTXSE-LXTVHRRPSA-N 2 1 362.478 0.499 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939127 1268317705 /nfs/dbraw/zinc/31/77/05/1268317705.db2.gz LROBPAJJEKTXSE-LXTVHRRPSA-N 2 1 362.478 0.499 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001552185477 1268404836 /nfs/dbraw/zinc/40/48/36/1268404836.db2.gz BCXSFPBLAUKLGQ-KDOFPFPSSA-N 2 1 351.495 0.309 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC[N@H+]1C[C@H](C)O ZINC001552181633 1268405372 /nfs/dbraw/zinc/40/53/72/1268405372.db2.gz VVXIAWPXLBQQAJ-PAYONLEZSA-N 2 1 363.506 0.335 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001552199605 1268407626 /nfs/dbraw/zinc/40/76/26/1268407626.db2.gz BFNBSRIVEAWIDC-MMTROXRISA-N 2 1 359.470 0.628 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001552199605 1268407630 /nfs/dbraw/zinc/40/76/30/1268407630.db2.gz BFNBSRIVEAWIDC-MMTROXRISA-N 2 1 359.470 0.628 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202138 1268408354 /nfs/dbraw/zinc/40/83/54/1268408354.db2.gz AXPHBGPZOLLMDQ-CTNGQTDRSA-N 2 1 372.513 0.676 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)c1 ZINC001552200680 1268408363 /nfs/dbraw/zinc/40/83/63/1268408363.db2.gz UGJFAELOBFPYRQ-URLQWDBASA-N 2 1 358.442 0.311 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)c1 ZINC001552200680 1268408367 /nfs/dbraw/zinc/40/83/67/1268408367.db2.gz UGJFAELOBFPYRQ-URLQWDBASA-N 2 1 358.442 0.311 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CCO1 ZINC001552201319 1268408373 /nfs/dbraw/zinc/40/83/73/1268408373.db2.gz LGVIHNKADOBUSZ-ZTNFWEORSA-N 2 1 359.470 0.760 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CCO1 ZINC001552201319 1268408378 /nfs/dbraw/zinc/40/83/78/1268408378.db2.gz LGVIHNKADOBUSZ-ZTNFWEORSA-N 2 1 359.470 0.760 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552211340 1268411674 /nfs/dbraw/zinc/41/16/74/1268411674.db2.gz GTTQZQPHAKHNSP-VQHPVUNQSA-N 2 1 353.511 0.173 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001552237869 1268418708 /nfs/dbraw/zinc/41/87/08/1268418708.db2.gz CEXPDMUVIVKDDA-MSOLQXFVSA-N 2 1 358.486 0.564 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001552250985 1268421610 /nfs/dbraw/zinc/42/16/10/1268421610.db2.gz FCXMHSYSEOOICO-NJAFHUGGSA-N 2 1 358.486 0.910 20 0 FCADMP C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC[NH2+]CC1 ZINC001552291790 1268434059 /nfs/dbraw/zinc/43/40/59/1268434059.db2.gz NGDYEFHAWXDGBW-HNNXBMFYSA-N 2 1 354.495 0.555 20 0 FCADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C[C@H]2C1 ZINC001552337673 1268444844 /nfs/dbraw/zinc/44/48/44/1268444844.db2.gz GEJPVIJHAXPXTB-JKQORVJESA-N 2 1 361.494 0.814 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)C1 ZINC001552605507 1268489578 /nfs/dbraw/zinc/48/95/78/1268489578.db2.gz WXRUHBUWXMEVSX-IKGGRYGDSA-N 2 1 363.510 0.753 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552708420 1268527198 /nfs/dbraw/zinc/52/71/98/1268527198.db2.gz SQKLYMWSXHLUQD-QGZVFWFLSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552708420 1268527206 /nfs/dbraw/zinc/52/72/06/1268527206.db2.gz SQKLYMWSXHLUQD-QGZVFWFLSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)n1 ZINC001552710515 1268529512 /nfs/dbraw/zinc/52/95/12/1268529512.db2.gz CQKGIPYDGMKSNG-HOCLYGCPSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)n1 ZINC001552710515 1268529518 /nfs/dbraw/zinc/52/95/18/1268529518.db2.gz CQKGIPYDGMKSNG-HOCLYGCPSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC001552710515 1268529521 /nfs/dbraw/zinc/52/95/21/1268529521.db2.gz CQKGIPYDGMKSNG-HOCLYGCPSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001552710515 1268529525 /nfs/dbraw/zinc/52/95/25/1268529525.db2.gz CQKGIPYDGMKSNG-HOCLYGCPSA-N 2 1 363.506 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)C1 ZINC001552835055 1268556503 /nfs/dbraw/zinc/55/65/03/1268556503.db2.gz WEANKTMHMQZQRN-WSTZPKSXSA-N 2 1 364.534 0.772 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957493 1268569057 /nfs/dbraw/zinc/56/90/57/1268569057.db2.gz JHNNDZSIESHBLP-MSOLQXFVSA-N 2 1 357.502 0.905 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996634 1268574615 /nfs/dbraw/zinc/57/46/15/1268574615.db2.gz JSHFJGCFYRCCNT-KMOPNRPKSA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996634 1268574620 /nfs/dbraw/zinc/57/46/20/1268574620.db2.gz JSHFJGCFYRCCNT-KMOPNRPKSA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996634 1268574624 /nfs/dbraw/zinc/57/46/24/1268574624.db2.gz JSHFJGCFYRCCNT-KMOPNRPKSA-N 2 1 368.522 0.486 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001553013476 1268578488 /nfs/dbraw/zinc/57/84/88/1268578488.db2.gz AZPQBWDHZVDUPM-YVSFHVDLSA-N 2 1 351.491 0.497 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553374530 1268639669 /nfs/dbraw/zinc/63/96/69/1268639669.db2.gz HEUNCOGGWIFONH-UTKZUKDTSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553374530 1268639672 /nfs/dbraw/zinc/63/96/72/1268639672.db2.gz HEUNCOGGWIFONH-UTKZUKDTSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378079 1268640015 /nfs/dbraw/zinc/64/00/15/1268640015.db2.gz JKEYYMGUVVOLDB-APWZRJJASA-N 2 1 363.506 0.278 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553378079 1268640020 /nfs/dbraw/zinc/64/00/20/1268640020.db2.gz JKEYYMGUVVOLDB-APWZRJJASA-N 2 1 363.506 0.278 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@@H]2C1 ZINC001553389261 1268642307 /nfs/dbraw/zinc/64/23/07/1268642307.db2.gz KXMPABRIJGBKTR-UZLBHIALSA-N 2 1 372.469 0.639 20 0 FCADMP COCC(=O)Nc1cccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553397055 1268643323 /nfs/dbraw/zinc/64/33/23/1268643323.db2.gz YQBSYAXXBWPLRS-KXBFYZLASA-N 2 1 360.458 0.429 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553401357 1268644202 /nfs/dbraw/zinc/64/42/02/1268644202.db2.gz DKLKJWDIWXZGJG-WIYYLYMNSA-N 2 1 370.497 0.902 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553401357 1268644209 /nfs/dbraw/zinc/64/42/09/1268644209.db2.gz DKLKJWDIWXZGJG-WIYYLYMNSA-N 2 1 370.497 0.902 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)c2)CC1 ZINC001553404073 1268645809 /nfs/dbraw/zinc/64/58/09/1268645809.db2.gz ADCYOBIIYWCPGQ-FGTMMUONSA-N 2 1 372.469 0.461 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405434 1268645903 /nfs/dbraw/zinc/64/59/03/1268645903.db2.gz CKBSUTZCSKLQCQ-IXDOHACOSA-N 2 1 358.442 0.532 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001553404902 1268646048 /nfs/dbraw/zinc/64/60/48/1268646048.db2.gz BPMWWIQYSBKCJB-YCVVXREPSA-N 2 1 359.470 0.912 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001553404902 1268646052 /nfs/dbraw/zinc/64/60/52/1268646052.db2.gz BPMWWIQYSBKCJB-YCVVXREPSA-N 2 1 359.470 0.912 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)c2)CC1 ZINC001553404070 1268646094 /nfs/dbraw/zinc/64/60/94/1268646094.db2.gz ADCYOBIIYWCPGQ-BZSNNMDCSA-N 2 1 372.469 0.461 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2)N1CC[NH+](C)CC1 ZINC001553415593 1268647015 /nfs/dbraw/zinc/64/70/15/1268647015.db2.gz AFGGPEYPINLVQF-IRXDYDNUSA-N 2 1 367.538 0.326 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553415277 1268647690 /nfs/dbraw/zinc/64/76/90/1268647690.db2.gz SOGFPNUMMNAEHP-ADHGMGHFSA-N 2 1 350.507 0.523 20 0 FCADMP O=C(NC[C@H]1CCNCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553502199 1268659394 /nfs/dbraw/zinc/65/93/94/1268659394.db2.gz LDFJKHLEXHVNQQ-BMFZPTHFSA-N 3 1 371.476 0.841 20 0 FCADMP O=C(NC[C@H]1CCNCC1(F)F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553502199 1268659402 /nfs/dbraw/zinc/65/94/02/1268659402.db2.gz LDFJKHLEXHVNQQ-BMFZPTHFSA-N 3 1 371.476 0.841 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001553509449 1268661590 /nfs/dbraw/zinc/66/15/90/1268661590.db2.gz VNEGJPHTKUSKKO-KLHDSHLOSA-N 2 1 354.495 0.552 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553513672 1268661827 /nfs/dbraw/zinc/66/18/27/1268661827.db2.gz ZMMPYCIQQZFWTE-CADBVGFASA-N 2 1 357.502 0.649 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553513672 1268661830 /nfs/dbraw/zinc/66/18/30/1268661830.db2.gz ZMMPYCIQQZFWTE-CADBVGFASA-N 2 1 357.502 0.649 20 0 FCADMP O=C(NC[C@@H]1C[C@@H]2COC[C@H]2O1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553529237 1268664987 /nfs/dbraw/zinc/66/49/87/1268664987.db2.gz JODMSZAIARBFAV-FWEDZOCSSA-N 2 1 364.490 0.401 20 0 FCADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553545507 1268666682 /nfs/dbraw/zinc/66/66/82/1268666682.db2.gz CHBAANKYSXHGJY-ZSYWTGECSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553545507 1268666687 /nfs/dbraw/zinc/66/66/87/1268666687.db2.gz CHBAANKYSXHGJY-ZSYWTGECSA-N 2 1 361.534 0.985 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C[C@@H]1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553553619 1268669696 /nfs/dbraw/zinc/66/96/96/1268669696.db2.gz VXUPBFXCMWTLAP-YVSFHVDLSA-N 3 1 353.486 0.687 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]C[C@@H]1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553553619 1268669699 /nfs/dbraw/zinc/66/96/99/1268669699.db2.gz VXUPBFXCMWTLAP-YVSFHVDLSA-N 2 1 353.486 0.687 20 0 FCADMP Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]3C2)n1 ZINC001553620487 1268671200 /nfs/dbraw/zinc/67/12/00/1268671200.db2.gz GNLFFKMNPVHHRJ-HDEZJCGLSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001553620487 1268671212 /nfs/dbraw/zinc/67/12/12/1268671212.db2.gz GNLFFKMNPVHHRJ-HDEZJCGLSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001553620487 1268671219 /nfs/dbraw/zinc/67/12/19/1268671219.db2.gz GNLFFKMNPVHHRJ-HDEZJCGLSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@H]3C2)n1 ZINC001553620487 1268671224 /nfs/dbraw/zinc/67/12/24/1268671224.db2.gz GNLFFKMNPVHHRJ-HDEZJCGLSA-N 2 1 361.490 0.447 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]3C2)n1 ZINC001553620487 1268671232 /nfs/dbraw/zinc/67/12/32/1268671232.db2.gz GNLFFKMNPVHHRJ-HDEZJCGLSA-N 2 1 361.490 0.447 20 0 FCADMP O=C(C[C@]1(O)CCC[NH2+]C1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001340891586 1268695350 /nfs/dbraw/zinc/69/53/50/1268695350.db2.gz ATDQHPSQDKBDFE-LJQANCHMSA-N 2 1 361.490 0.215 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)cc2)CC1 ZINC001340902374 1268701150 /nfs/dbraw/zinc/70/11/50/1268701150.db2.gz WUDWGEVUDPBEPB-IBGZPJMESA-N 2 1 357.458 0.043 20 0 FCADMP CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC001341293303 1268921946 /nfs/dbraw/zinc/92/19/46/1268921946.db2.gz FNCZLZBNMRTULG-DOTOQJQBSA-N 2 1 356.511 0.435 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc(OC)c1 ZINC001341616786 1269111758 /nfs/dbraw/zinc/11/17/58/1269111758.db2.gz BXXRZQPEPABTBP-CZUORRHYSA-N 2 1 351.447 0.493 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc(OC)c1 ZINC001341616786 1269111769 /nfs/dbraw/zinc/11/17/69/1269111769.db2.gz BXXRZQPEPABTBP-CZUORRHYSA-N 2 1 351.447 0.493 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)o3)CC2)C1 ZINC001341635216 1269123387 /nfs/dbraw/zinc/12/33/87/1269123387.db2.gz VVIJXOZWFVGPSJ-INIZCTEOSA-N 2 1 361.490 0.994 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C34CC(C3)C[NH2+]4)c2)C1 ZINC001341696063 1269155551 /nfs/dbraw/zinc/15/55/51/1269155551.db2.gz JMWZNPJXQCSTJG-OHTSDLOESA-N 2 1 356.470 0.752 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC001342133933 1269363957 /nfs/dbraw/zinc/36/39/57/1269363957.db2.gz CFKRPPXXZOACIL-OAHLLOKOSA-N 2 1 366.506 0.299 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001564898587 1269441585 /nfs/dbraw/zinc/44/15/85/1269441585.db2.gz XWFXWWJVVKUDMQ-UHFFFAOYSA-N 2 1 372.510 0.087 20 0 FCADMP CC[C@H](C)[NH+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CCOC)CC1 ZINC001342854960 1269646822 /nfs/dbraw/zinc/64/68/22/1269646822.db2.gz OTCXTCZISXYAOK-KBPBESRZSA-N 2 1 366.466 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OC ZINC001343013415 1269729737 /nfs/dbraw/zinc/72/97/37/1269729737.db2.gz DZPRMFVZCMSASZ-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C ZINC001343115358 1269780212 /nfs/dbraw/zinc/78/02/12/1269780212.db2.gz BPNIBHZRUAXWRO-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001343115358 1269780218 /nfs/dbraw/zinc/78/02/18/1269780218.db2.gz BPNIBHZRUAXWRO-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001343115358 1269780223 /nfs/dbraw/zinc/78/02/23/1269780223.db2.gz BPNIBHZRUAXWRO-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)c3cc4n(n3)C[C@@H](C)[NH2+]C4)CC2)c1 ZINC001343424620 1269904759 /nfs/dbraw/zinc/90/47/59/1269904759.db2.gz ROTNOPSXLLXJFB-CYBMUJFWSA-N 2 1 356.430 0.741 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001573067002 1270588921 /nfs/dbraw/zinc/58/89/21/1270588921.db2.gz LBVUZSGAPKHOHY-GVDBMIGSSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976507 1270970376 /nfs/dbraw/zinc/97/03/76/1270970376.db2.gz XABKOGGEMQNYLY-DOMZBBRYSA-N 2 1 358.450 0.543 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574259913 1271129502 /nfs/dbraw/zinc/12/95/02/1271129502.db2.gz BQDZXLAUXDISJI-NSHDSACASA-N 2 1 351.480 0.863 20 0 FCADMP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574277662 1271154505 /nfs/dbraw/zinc/15/45/05/1271154505.db2.gz TWHRBYVEGMFGNM-AWEZNQCLSA-N 2 1 372.477 0.887 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289055 1271165900 /nfs/dbraw/zinc/16/59/00/1271165900.db2.gz VHPAIHUBHIIYFO-IUODEOHRSA-N 2 1 358.450 0.473 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574578583 1271376996 /nfs/dbraw/zinc/37/69/96/1271376996.db2.gz DSWWDYMUTIQGHT-SWLSCSKDSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594739 1271393836 /nfs/dbraw/zinc/39/38/36/1271393836.db2.gz AQSDMHOZGAXBLN-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574594739 1271393842 /nfs/dbraw/zinc/39/38/42/1271393842.db2.gz AQSDMHOZGAXBLN-CJNGLKHVSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC[NH+](C)C ZINC001574781078 1271514478 /nfs/dbraw/zinc/51/44/78/1271514478.db2.gz HAAAKDJXRHUHEX-LBPRGKRZSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574786759 1271522226 /nfs/dbraw/zinc/52/22/26/1271522226.db2.gz XRLRGGOPEHXRLJ-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574786759 1271522233 /nfs/dbraw/zinc/52/22/33/1271522233.db2.gz XRLRGGOPEHXRLJ-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574786759 1271522238 /nfs/dbraw/zinc/52/22/38/1271522238.db2.gz XRLRGGOPEHXRLJ-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574870872 1271622881 /nfs/dbraw/zinc/62/28/81/1271622881.db2.gz DWQRNCQVJDPTGG-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875658 1271630082 /nfs/dbraw/zinc/63/00/82/1271630082.db2.gz YAIJBYNNLBBTRV-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875658 1271630094 /nfs/dbraw/zinc/63/00/94/1271630094.db2.gz YAIJBYNNLBBTRV-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875658 1271630102 /nfs/dbraw/zinc/63/01/02/1271630102.db2.gz YAIJBYNNLBBTRV-CJNGLKHVSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896799 1271658982 /nfs/dbraw/zinc/65/89/82/1271658982.db2.gz INKRAXJBKQYZMT-CHWSQXEVSA-N 2 1 358.450 0.544 20 0 FCADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574896672 1271659596 /nfs/dbraw/zinc/65/95/96/1271659596.db2.gz GGRVIWKBMQIMQY-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCSCC1 ZINC001575047948 1271699441 /nfs/dbraw/zinc/69/94/41/1271699441.db2.gz GJCYHRASOVAMGD-OIISXLGYSA-N 2 1 352.548 0.851 20 0 FCADMP CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001575183397 1271773026 /nfs/dbraw/zinc/77/30/26/1271773026.db2.gz HZQWTWGFUNWYDI-CRAIPNDOSA-N 2 1 354.495 0.338 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001580661574 1278662895 /nfs/dbraw/zinc/66/28/95/1278662895.db2.gz QOGPTPCNFNXIPF-MOPGFXCFSA-N 2 1 357.502 0.950 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575367720 1272009088 /nfs/dbraw/zinc/00/90/88/1272009088.db2.gz QPIGEKZLBSMYSX-HUUCEWRRSA-N 2 1 364.494 0.430 20 0 FCADMP CC(C)([NH3+])Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575367720 1272009091 /nfs/dbraw/zinc/00/90/91/1272009091.db2.gz QPIGEKZLBSMYSX-HUUCEWRRSA-N 2 1 364.494 0.430 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH3+])CC1 ZINC001575998930 1272678838 /nfs/dbraw/zinc/67/88/38/1272678838.db2.gz SGMOGAWYOREKBC-CABCVRRESA-N 2 1 363.510 0.745 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576114547 1272905945 /nfs/dbraw/zinc/90/59/45/1272905945.db2.gz JPMMUZBFWLSMHY-OKILXGFUSA-N 2 1 370.461 0.783 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576114547 1272905951 /nfs/dbraw/zinc/90/59/51/1272905951.db2.gz JPMMUZBFWLSMHY-OKILXGFUSA-N 2 1 370.461 0.783 20 0 FCADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576132744 1272933645 /nfs/dbraw/zinc/93/36/45/1272933645.db2.gz UNTRVQXBNBINSA-CHWSQXEVSA-N 2 1 358.450 0.687 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576486385 1273335470 /nfs/dbraw/zinc/33/54/70/1273335470.db2.gz UZJFZDWVFMVVCH-JKSUJKDBSA-N 2 1 350.467 0.386 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001576715144 1273585464 /nfs/dbraw/zinc/58/54/64/1273585464.db2.gz SXJGSYJVSHZVSH-KFWWJZLASA-N 2 1 366.535 0.536 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CCc3cn[nH]n3)CC2)cn1 ZINC001576751076 1273621490 /nfs/dbraw/zinc/62/14/90/1273621490.db2.gz ZRBUOEBIBRQCFQ-UHFFFAOYSA-N 2 1 374.493 0.247 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576788746 1273684194 /nfs/dbraw/zinc/68/41/94/1273684194.db2.gz CPKDEABZROZHAE-HOCLYGCPSA-N 2 1 357.462 0.945 20 0 FCADMP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCc2cn[nH]n2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695394 /nfs/dbraw/zinc/69/53/94/1273695394.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 1 364.494 0.163 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCc2cn[nH]n2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695407 /nfs/dbraw/zinc/69/54/07/1273695407.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 1 364.494 0.163 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695415 /nfs/dbraw/zinc/69/54/15/1273695415.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 1 364.494 0.163 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695426 /nfs/dbraw/zinc/69/54/26/1273695426.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 1 364.494 0.163 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794620 1273697783 /nfs/dbraw/zinc/69/77/83/1273697783.db2.gz FCKFYVMWBRUPHP-HZPDHXFCSA-N 2 1 357.462 0.803 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797223 1273702859 /nfs/dbraw/zinc/70/28/59/1273702859.db2.gz UXKZJABDMWNSJJ-HOTGVXAUSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576797223 1273702864 /nfs/dbraw/zinc/70/28/64/1273702864.db2.gz UXKZJABDMWNSJJ-HOTGVXAUSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H]1CN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828553 1273754612 /nfs/dbraw/zinc/75/46/12/1273754612.db2.gz IHNKCSFPNPHLDR-HOCLYGCPSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@H]1CN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828553 1273754619 /nfs/dbraw/zinc/75/46/19/1273754619.db2.gz IHNKCSFPNPHLDR-HOCLYGCPSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@H]1CN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828553 1273754622 /nfs/dbraw/zinc/75/46/22/1273754622.db2.gz IHNKCSFPNPHLDR-HOCLYGCPSA-N 2 1 361.538 0.965 20 0 FCADMP C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576840004 1273778361 /nfs/dbraw/zinc/77/83/61/1273778361.db2.gz YFWAIWXXKODHHI-KSSFIOAISA-N 2 1 350.511 0.731 20 0 FCADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576847528 1273792514 /nfs/dbraw/zinc/79/25/14/1273792514.db2.gz GEUSXKJMWYBIJN-IHRRRGAJSA-N 2 1 372.477 0.721 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001577040298 1274103245 /nfs/dbraw/zinc/10/32/45/1274103245.db2.gz LLUJMUNYEFXXRI-IAGOWNOFSA-N 2 1 364.494 0.283 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001577040298 1274103249 /nfs/dbraw/zinc/10/32/49/1274103249.db2.gz LLUJMUNYEFXXRI-IAGOWNOFSA-N 2 1 364.494 0.283 20 0 FCADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C[NH2+]CCNC(=O)OC(C)(C)C)CC1 ZINC001577090283 1274149056 /nfs/dbraw/zinc/14/90/56/1274149056.db2.gz QRBVCPXQOSQUHA-AWEZNQCLSA-N 2 1 358.483 0.016 20 0 FCADMP CC[C@H]1CN(c2nnc(C)n2C[C@@H]2C[C@H]3C[NH2+]C[C@@H]23)CC[N@H+]1CCOC ZINC001577292802 1274310009 /nfs/dbraw/zinc/31/00/09/1274310009.db2.gz WYQOYBFURBIZRI-XLAORIBOSA-N 2 1 362.522 0.989 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499479 1274456293 /nfs/dbraw/zinc/45/62/93/1274456293.db2.gz MLFKYRSCETXHTC-ILXRZTDVSA-N 2 1 363.510 0.745 20 0 FCADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH2+]CC1 ZINC001577535902 1274476694 /nfs/dbraw/zinc/47/66/94/1274476694.db2.gz KDTNEXUJABCGDJ-LSDHHAIUSA-N 2 1 361.494 0.513 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558475 1274501995 /nfs/dbraw/zinc/50/19/95/1274501995.db2.gz JSUIIAXHOBAJCG-INIZCTEOSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001577560629 1274508031 /nfs/dbraw/zinc/50/80/31/1274508031.db2.gz GXGZXGXDYJEYFZ-OAHLLOKOSA-N 2 1 360.466 0.578 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562866 1274514432 /nfs/dbraw/zinc/51/44/32/1274514432.db2.gz HUXLCCPXUOTUJG-AWEZNQCLSA-N 2 1 372.477 0.854 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCCN(CC)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577563011 1274516979 /nfs/dbraw/zinc/51/69/79/1274516979.db2.gz KCKJLRNMOQFELQ-UHFFFAOYSA-N 2 1 360.466 0.854 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577567862 1274524598 /nfs/dbraw/zinc/52/45/98/1274524598.db2.gz JMTPSYLCIDVKLY-DZGCQCFKSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668158 1274690074 /nfs/dbraw/zinc/69/00/74/1274690074.db2.gz IWRRZBURPUELII-DOMZBBRYSA-N 2 1 358.450 0.475 20 0 FCADMP CC[N@@H+](CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@@H](C(N)=O)C1)C(C)C ZINC001577731128 1274807488 /nfs/dbraw/zinc/80/74/88/1274807488.db2.gz HORQDGVGRGOFRH-KFWWJZLASA-N 2 1 363.510 0.525 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577759518 1274839455 /nfs/dbraw/zinc/83/94/55/1274839455.db2.gz GZBAQKLTONMWRY-MCIONIFRSA-N 2 1 351.499 0.682 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC001577775233 1274867279 /nfs/dbraw/zinc/86/72/79/1274867279.db2.gz BKJGOFHFBQCSDG-UHFFFAOYSA-N 2 1 359.474 0.734 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)CC[N@@H+](C)CC ZINC001577849616 1274984684 /nfs/dbraw/zinc/98/46/84/1274984684.db2.gz UBIMXTBZMISPGL-UHFFFAOYSA-N 2 1 360.466 0.594 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577855770 1275007686 /nfs/dbraw/zinc/00/76/86/1275007686.db2.gz PMTMJLJPNYGFOW-GXTWGEPZSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859964 1275022742 /nfs/dbraw/zinc/02/27/42/1275022742.db2.gz QGVACRVBEPMKTI-STQMWFEESA-N 2 1 360.466 0.639 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860488 1275022816 /nfs/dbraw/zinc/02/28/16/1275022816.db2.gz XQGIUEGZPZMJIE-QWHCGFSZSA-N 2 1 360.466 0.721 20 0 FCADMP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001577861659 1275028493 /nfs/dbraw/zinc/02/84/93/1275028493.db2.gz YYPWZXFBCUSJMI-ZBFHGGJFSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577862867 1275029493 /nfs/dbraw/zinc/02/94/93/1275029493.db2.gz LYHCPSLLTFJPIB-ZFWWWQNUSA-N 2 1 372.477 0.722 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577872198 1275061560 /nfs/dbraw/zinc/06/15/60/1275061560.db2.gz WDYOIGQJZTWPGJ-WKILWMFISA-N 2 1 357.462 0.945 20 0 FCADMP CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nn[nH]n1 ZINC001577934498 1275149060 /nfs/dbraw/zinc/14/90/60/1275149060.db2.gz TYGPJVJVMZJESV-UHFFFAOYSA-N 2 1 369.473 0.901 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945155 1275162471 /nfs/dbraw/zinc/16/24/71/1275162471.db2.gz BIQRHLMHEDSVFY-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945155 1275162474 /nfs/dbraw/zinc/16/24/74/1275162474.db2.gz BIQRHLMHEDSVFY-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577945155 1275162476 /nfs/dbraw/zinc/16/24/76/1275162476.db2.gz BIQRHLMHEDSVFY-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001577975405 1275201376 /nfs/dbraw/zinc/20/13/76/1275201376.db2.gz BBJFUXAXOXVXOJ-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578045283 1275334594 /nfs/dbraw/zinc/33/45/94/1275334594.db2.gz KDPSKUSGQNQTLR-CHWSQXEVSA-N 2 1 358.450 0.544 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001578110123 1275412181 /nfs/dbraw/zinc/41/21/81/1275412181.db2.gz WVWNJQNIXFQCLO-ZDUSSCGKSA-N 2 1 358.450 0.204 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001578110008 1275412308 /nfs/dbraw/zinc/41/23/08/1275412308.db2.gz RIKGMGBLONTVLX-MRXNPFEDSA-N 2 1 372.477 0.737 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC2C[NH2+]C2)CC1 ZINC001578115291 1275416238 /nfs/dbraw/zinc/41/62/38/1275416238.db2.gz DZZKZDRDYDSKKQ-INIZCTEOSA-N 2 1 364.494 0.160 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219762 1275516907 /nfs/dbraw/zinc/51/69/07/1275516907.db2.gz QCMHMJVILZFFIH-CZUORRHYSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223888 1275524446 /nfs/dbraw/zinc/52/44/46/1275524446.db2.gz GNQBMPHVCZCYAW-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223888 1275524450 /nfs/dbraw/zinc/52/44/50/1275524450.db2.gz GNQBMPHVCZCYAW-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001578397583 1275772341 /nfs/dbraw/zinc/77/23/41/1275772341.db2.gz RGJXDHINBDKCKB-LSDHHAIUSA-N 2 1 353.511 0.616 20 0 FCADMP CN(C[C@H]1CCCO1)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001578525802 1275957243 /nfs/dbraw/zinc/95/72/43/1275957243.db2.gz QLTVWPHYEGVNOV-BASYENTBSA-N 2 1 364.494 0.165 20 0 FCADMP CN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCSC1 ZINC001578525745 1275957792 /nfs/dbraw/zinc/95/77/92/1275957792.db2.gz OUGQGSHCIVYKSM-QDEZUTFSSA-N 2 1 366.535 0.491 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H]([NH3+])C2)C1 ZINC001578525932 1275960202 /nfs/dbraw/zinc/96/02/02/1275960202.db2.gz UIFYZADFNHBSTQ-QFBILLFUSA-N 2 1 374.464 0.612 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001578528709 1275960343 /nfs/dbraw/zinc/96/03/43/1275960343.db2.gz LCTXTQNOZUNSBI-CHWSQXEVSA-N 2 1 351.417 0.464 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC001578532755 1275963886 /nfs/dbraw/zinc/96/38/86/1275963886.db2.gz VIAAURINMVNTTN-DLBZAZTESA-N 2 1 365.522 0.700 20 0 FCADMP C[NH2+]C[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001578671318 1276123649 /nfs/dbraw/zinc/12/36/49/1276123649.db2.gz INTDTZDCLGZLSU-YJBOKZPZSA-N 2 1 350.511 0.589 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)C1 ZINC001578807856 1276298332 /nfs/dbraw/zinc/29/83/32/1276298332.db2.gz WYAIDSNCOXILRZ-LSDHHAIUSA-N 2 1 352.479 0.940 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)C1 ZINC001578807856 1276298334 /nfs/dbraw/zinc/29/83/34/1276298334.db2.gz WYAIDSNCOXILRZ-LSDHHAIUSA-N 2 1 352.479 0.940 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC001578963448 1276506544 /nfs/dbraw/zinc/50/65/44/1276506544.db2.gz PAVCQFDDRPSEIT-GFCCVEGCSA-N 2 1 356.389 0.255 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578971761 1276516766 /nfs/dbraw/zinc/51/67/66/1276516766.db2.gz JVDDVLRCEXVELV-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578971761 1276516769 /nfs/dbraw/zinc/51/67/69/1276516769.db2.gz JVDDVLRCEXVELV-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001578977673 1276534510 /nfs/dbraw/zinc/53/45/10/1276534510.db2.gz URTCRAITBAVZAD-ZDUSSCGKSA-N 2 1 358.450 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578979234 1276539364 /nfs/dbraw/zinc/53/93/64/1276539364.db2.gz XWGQETHGBOQBDS-LBPRGKRZSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578980257 1276540189 /nfs/dbraw/zinc/54/01/89/1276540189.db2.gz FEAQDHCMQYAQRN-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578980133 1276540356 /nfs/dbraw/zinc/54/03/56/1276540356.db2.gz BCXINXZOGUYSSI-OSYLJGHBSA-N 2 1 369.473 0.612 20 0 FCADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982319 1276545831 /nfs/dbraw/zinc/54/58/31/1276545831.db2.gz LIJKXQNWJQMQHR-CYBMUJFWSA-N 2 1 358.450 0.641 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578985280 1276550813 /nfs/dbraw/zinc/55/08/13/1276550813.db2.gz FPIOPMRBVBCICW-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP COCCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@H]([NH3+])C1 ZINC001579014329 1276588022 /nfs/dbraw/zinc/58/80/22/1276588022.db2.gz LTRHUKYWMBCAON-HNNXBMFYSA-N 2 1 361.494 0.789 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001579037170 1276620091 /nfs/dbraw/zinc/62/00/91/1276620091.db2.gz IRELVHVIISYJGC-HRCADAONSA-N 2 1 354.495 0.047 20 0 FCADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579134321 1276831549 /nfs/dbraw/zinc/83/15/49/1276831549.db2.gz SKDAZQJFQAIJEF-UHFFFAOYSA-N 2 1 357.462 0.853 20 0 FCADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579167435 1276917815 /nfs/dbraw/zinc/91/78/15/1276917815.db2.gz WWBCTIKOCUYPGT-UHFFFAOYSA-N 2 1 373.436 0.650 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579167435 1276917826 /nfs/dbraw/zinc/91/78/26/1276917826.db2.gz WWBCTIKOCUYPGT-UHFFFAOYSA-N 2 1 373.436 0.650 20 0 FCADMP CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579168721 1276921898 /nfs/dbraw/zinc/92/18/98/1276921898.db2.gz IVJQJPZLXPKQPY-CJNGLKHVSA-N 2 1 370.461 0.831 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001579214435 1277009171 /nfs/dbraw/zinc/00/91/71/1277009171.db2.gz CMTODHVUMVQWPY-CJNGLKHVSA-N 2 1 370.461 0.571 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001579215105 1277011019 /nfs/dbraw/zinc/01/10/19/1277011019.db2.gz XYJHDGYTGMQOKP-BBRMVZONSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579256377 1277052877 /nfs/dbraw/zinc/05/28/77/1277052877.db2.gz UUZOGMDIOLERTH-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579256377 1277052880 /nfs/dbraw/zinc/05/28/80/1277052880.db2.gz UUZOGMDIOLERTH-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579256377 1277052881 /nfs/dbraw/zinc/05/28/81/1277052881.db2.gz UUZOGMDIOLERTH-SJORKVTESA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322740 1277138475 /nfs/dbraw/zinc/13/84/75/1277138475.db2.gz GKLBBTPTHWPJJB-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322740 1277138478 /nfs/dbraw/zinc/13/84/78/1277138478.db2.gz GKLBBTPTHWPJJB-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322740 1277138479 /nfs/dbraw/zinc/13/84/79/1277138479.db2.gz GKLBBTPTHWPJJB-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325881 1277147602 /nfs/dbraw/zinc/14/76/02/1277147602.db2.gz LDVADDRWPBQLDC-CYBMUJFWSA-N 2 1 372.477 0.532 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579326600 1277150342 /nfs/dbraw/zinc/15/03/42/1277150342.db2.gz KTYLOENEQNQVRD-LBPRGKRZSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579327895 1277154247 /nfs/dbraw/zinc/15/42/47/1277154247.db2.gz YKFFTTQOYOVANM-HOTGVXAUSA-N 2 1 369.473 0.899 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001579327786 1277155778 /nfs/dbraw/zinc/15/57/78/1277155778.db2.gz XNAHEUTYNMFOIX-CYBMUJFWSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328473 1277156705 /nfs/dbraw/zinc/15/67/05/1277156705.db2.gz CNONOYHVUBNDPZ-QGZVFWFLSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328473 1277156707 /nfs/dbraw/zinc/15/67/07/1277156707.db2.gz CNONOYHVUBNDPZ-QGZVFWFLSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328473 1277156711 /nfs/dbraw/zinc/15/67/11/1277156711.db2.gz CNONOYHVUBNDPZ-QGZVFWFLSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579328638 1277157564 /nfs/dbraw/zinc/15/75/64/1277157564.db2.gz HSOYJFAVKUHXGN-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333189 1277165703 /nfs/dbraw/zinc/16/57/03/1277165703.db2.gz OTQLCWRINTWVIA-IUODEOHRSA-N 2 1 372.477 0.578 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333979 1277168641 /nfs/dbraw/zinc/16/86/41/1277168641.db2.gz UEPARXJQWBPQHS-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333979 1277168643 /nfs/dbraw/zinc/16/86/43/1277168643.db2.gz UEPARXJQWBPQHS-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333979 1277168647 /nfs/dbraw/zinc/16/86/47/1277168647.db2.gz UEPARXJQWBPQHS-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333979 1277168649 /nfs/dbraw/zinc/16/86/49/1277168649.db2.gz UEPARXJQWBPQHS-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579334487 1277170457 /nfs/dbraw/zinc/17/04/57/1277170457.db2.gz YADKAPYIXRDWHR-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579334855 1277173757 /nfs/dbraw/zinc/17/37/57/1277173757.db2.gz IGHAJYDNDSUMMQ-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335978 1277179359 /nfs/dbraw/zinc/17/93/59/1277179359.db2.gz XNPKCXWZGBNFTM-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335978 1277179362 /nfs/dbraw/zinc/17/93/62/1277179362.db2.gz XNPKCXWZGBNFTM-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335978 1277179363 /nfs/dbraw/zinc/17/93/63/1277179363.db2.gz XNPKCXWZGBNFTM-HZPDHXFCSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335980 1277179545 /nfs/dbraw/zinc/17/95/45/1277179545.db2.gz XNPKCXWZGBNFTM-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335980 1277179546 /nfs/dbraw/zinc/17/95/46/1277179546.db2.gz XNPKCXWZGBNFTM-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335980 1277179552 /nfs/dbraw/zinc/17/95/52/1277179552.db2.gz XNPKCXWZGBNFTM-JKSUJKDBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344446 1277194817 /nfs/dbraw/zinc/19/48/17/1277194817.db2.gz FUFSVBFMIJTRAO-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344446 1277194823 /nfs/dbraw/zinc/19/48/23/1277194823.db2.gz FUFSVBFMIJTRAO-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344446 1277194826 /nfs/dbraw/zinc/19/48/26/1277194826.db2.gz FUFSVBFMIJTRAO-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579344446 1277194830 /nfs/dbraw/zinc/19/48/30/1277194830.db2.gz FUFSVBFMIJTRAO-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344922 1277196409 /nfs/dbraw/zinc/19/64/09/1277196409.db2.gz ILBULZXBOSCWBZ-ZIAGYGMSSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344922 1277196411 /nfs/dbraw/zinc/19/64/11/1277196411.db2.gz ILBULZXBOSCWBZ-ZIAGYGMSSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346542 1277199232 /nfs/dbraw/zinc/19/92/32/1277199232.db2.gz RJTCDBOIQNBYQF-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346542 1277199235 /nfs/dbraw/zinc/19/92/35/1277199235.db2.gz RJTCDBOIQNBYQF-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579346542 1277199238 /nfs/dbraw/zinc/19/92/38/1277199238.db2.gz RJTCDBOIQNBYQF-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346200 1277199807 /nfs/dbraw/zinc/19/98/07/1277199807.db2.gz ZMBBYIJBABRQMR-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346200 1277199812 /nfs/dbraw/zinc/19/98/12/1277199812.db2.gz ZMBBYIJBABRQMR-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346200 1277199814 /nfs/dbraw/zinc/19/98/14/1277199814.db2.gz ZMBBYIJBABRQMR-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351629 1277209473 /nfs/dbraw/zinc/20/94/73/1277209473.db2.gz UMXXJSWRVLMZMV-MSOLQXFVSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351629 1277209474 /nfs/dbraw/zinc/20/94/74/1277209474.db2.gz UMXXJSWRVLMZMV-MSOLQXFVSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353123 1277209532 /nfs/dbraw/zinc/20/95/32/1277209532.db2.gz DWCZXHNDIPJZJV-CJNGLKHVSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579353634 1277215196 /nfs/dbraw/zinc/21/51/96/1277215196.db2.gz QOFMJNZFHVQMPA-GDBMZVCRSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353908 1277216939 /nfs/dbraw/zinc/21/69/39/1277216939.db2.gz WNGMPCBLNKKMBJ-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353907 1277217748 /nfs/dbraw/zinc/21/77/48/1277217748.db2.gz WNGMPCBLNKKMBJ-DOTOQJQBSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358880 1277229834 /nfs/dbraw/zinc/22/98/34/1277229834.db2.gz LCMSOJYWQIQGFM-IRXDYDNUSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359140 1277231978 /nfs/dbraw/zinc/23/19/78/1277231978.db2.gz OWOZQQBMZFBPIL-KZSQQDEKSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579362099 1277237847 /nfs/dbraw/zinc/23/78/47/1277237847.db2.gz QBJVVSAZAUSQGU-GVXVVHGQSA-N 2 1 361.475 0.759 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579363107 1277242245 /nfs/dbraw/zinc/24/22/45/1277242245.db2.gz WCZXGOGHGVFPIV-DZKIICNBSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381342 1277258245 /nfs/dbraw/zinc/25/82/45/1277258245.db2.gz UWAIRXLDFAQIBG-HLLBOEOZSA-N 2 1 367.457 0.856 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381342 1277258252 /nfs/dbraw/zinc/25/82/52/1277258252.db2.gz UWAIRXLDFAQIBG-HLLBOEOZSA-N 2 1 367.457 0.856 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381342 1277258255 /nfs/dbraw/zinc/25/82/55/1277258255.db2.gz UWAIRXLDFAQIBG-HLLBOEOZSA-N 2 1 367.457 0.856 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001579404009 1277286665 /nfs/dbraw/zinc/28/66/65/1277286665.db2.gz BOGMSXFIICCBBD-ZIAGYGMSSA-N 2 1 363.510 0.887 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001579406435 1277287830 /nfs/dbraw/zinc/28/78/30/1277287830.db2.gz MDOZUDORHHFWIE-OAGGEKHMSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001579407392 1277288930 /nfs/dbraw/zinc/28/89/30/1277288930.db2.gz VPQIKQWCRUQNGJ-OWCLPIDISA-N 2 1 364.494 0.288 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cnn(C)c2)n1CC[NH3+] ZINC001579490172 1277402535 /nfs/dbraw/zinc/40/25/35/1277402535.db2.gz FUYFTSISZWVVKX-AWEZNQCLSA-N 2 1 374.493 0.327 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001579883497 1277948520 /nfs/dbraw/zinc/94/85/20/1277948520.db2.gz VDYASDWRXNDRMD-LSDHHAIUSA-N 2 1 372.477 0.609 20 0 FCADMP Cc1[nH+]ccn1CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001579883784 1277949571 /nfs/dbraw/zinc/94/95/71/1277949571.db2.gz ZLFXWKVUOASCOU-HNNXBMFYSA-N 2 1 355.450 0.811 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC001580018201 1277992042 /nfs/dbraw/zinc/99/20/42/1277992042.db2.gz DBXRGIFKIUOMEK-BARDWOONSA-N 2 1 351.413 0.996 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC001580222544 1278045220 /nfs/dbraw/zinc/04/52/20/1278045220.db2.gz XBVSWOPULKVCAU-HZPDHXFCSA-N 2 1 353.511 0.781 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCc1ccco1 ZINC001714390422 1287321086 /nfs/dbraw/zinc/32/10/86/1287321086.db2.gz FRMAVTOKTRPFGA-SQWLQELKSA-N 2 1 350.463 0.578 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960389 1279164192 /nfs/dbraw/zinc/16/41/92/1279164192.db2.gz DDDPCMAUOVPBSJ-UONOGXRCSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974849 1279176173 /nfs/dbraw/zinc/17/61/73/1279176173.db2.gz XOBGEBBPRMUTNC-RDBSUJKOSA-N 2 1 368.445 0.311 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988985 1279188404 /nfs/dbraw/zinc/18/84/04/1279188404.db2.gz VBMJWNNGVIWKRU-WCQYABFASA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994252 1279200468 /nfs/dbraw/zinc/20/04/68/1279200468.db2.gz SVBOZECQFWFBEQ-XJKSGUPXSA-N 2 1 372.477 0.496 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994989 1279204233 /nfs/dbraw/zinc/20/42/33/1279204233.db2.gz VEXYASVSBXWYPE-UONOGXRCSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003524 1279221357 /nfs/dbraw/zinc/22/13/57/1279221357.db2.gz DLNZTXOUOSOXJW-BBRMVZONSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006072 1279225481 /nfs/dbraw/zinc/22/54/81/1279225481.db2.gz JZIVWTNUINVZTI-MRXNPFEDSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008549 1279232773 /nfs/dbraw/zinc/23/27/73/1279232773.db2.gz LPAAQSWMGKQQBK-LRDDRELGSA-N 2 1 372.477 0.591 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001581009226 1279233858 /nfs/dbraw/zinc/23/38/58/1279233858.db2.gz JLYFZVVPYGYSAH-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001581009226 1279233859 /nfs/dbraw/zinc/23/38/59/1279233859.db2.gz JLYFZVVPYGYSAH-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010409 1279237023 /nfs/dbraw/zinc/23/70/23/1279237023.db2.gz MJILLUXBBKSEJP-MLGOLLRUSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@H](NC(=O)C[N@H+](C)C(C)C)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581017204 1279248395 /nfs/dbraw/zinc/24/83/95/1279248395.db2.gz VVAJQZMOPNLCFF-INIZCTEOSA-N 2 1 372.477 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001716795445 1287389842 /nfs/dbraw/zinc/38/98/42/1287389842.db2.gz RDJCWYBNDBVNSI-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001581565379 1280145402 /nfs/dbraw/zinc/14/54/02/1280145402.db2.gz NQOCMJCPXUHXAB-UHFFFAOYSA-N 2 1 354.418 0.620 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001581565379 1280145405 /nfs/dbraw/zinc/14/54/05/1280145405.db2.gz NQOCMJCPXUHXAB-UHFFFAOYSA-N 2 1 354.418 0.620 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001581809054 1280550736 /nfs/dbraw/zinc/55/07/36/1280550736.db2.gz BSTACBWNERYHLT-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001581809054 1280550742 /nfs/dbraw/zinc/55/07/42/1280550742.db2.gz BSTACBWNERYHLT-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001581809054 1280550750 /nfs/dbraw/zinc/55/07/50/1280550750.db2.gz BSTACBWNERYHLT-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC001583001610 1282062024 /nfs/dbraw/zinc/06/20/24/1282062024.db2.gz KWJGJUXOTRAKHT-BRWVUGGUSA-N 2 1 368.522 0.186 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC1=O ZINC001631800975 1282114035 /nfs/dbraw/zinc/11/40/35/1282114035.db2.gz GOISQTDTKVWHOS-BDXSIMOUSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1=O ZINC001631800975 1282114050 /nfs/dbraw/zinc/11/40/50/1282114050.db2.gz GOISQTDTKVWHOS-BDXSIMOUSA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1=O ZINC001631800975 1282114065 /nfs/dbraw/zinc/11/40/65/1282114065.db2.gz GOISQTDTKVWHOS-BDXSIMOUSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001636937291 1282546416 /nfs/dbraw/zinc/54/64/16/1282546416.db2.gz VUMNPKYSLSMVFM-OAHLLOKOSA-N 2 1 360.462 0.799 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001589676602 1282935246 /nfs/dbraw/zinc/93/52/46/1282935246.db2.gz GIUAVJMVUWHVLW-UHFFFAOYSA-N 2 1 363.441 0.942 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001589716718 1282961176 /nfs/dbraw/zinc/96/11/76/1282961176.db2.gz LGAYUEOAZZCHAW-CJNGLKHVSA-N 2 1 370.461 0.569 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001589815909 1283049678 /nfs/dbraw/zinc/04/96/78/1283049678.db2.gz WDBPUTUIPLBZOA-ZDUSSCGKSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001589815908 1283050766 /nfs/dbraw/zinc/05/07/66/1283050766.db2.gz WDBPUTUIPLBZOA-CYBMUJFWSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001589827714 1283065700 /nfs/dbraw/zinc/06/57/00/1283065700.db2.gz CPWXDMYTJLPDOR-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956958 1283146970 /nfs/dbraw/zinc/14/69/70/1283146970.db2.gz FBVSJYWQMSTBKJ-BBRMVZONSA-N 2 1 358.446 0.846 20 0 FCADMP C[C@@]1(O)CC[N@@H+](Cc2cc(C[NH+]3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150470 1283246067 /nfs/dbraw/zinc/24/60/67/1283246067.db2.gz QYABYZLYHIAKNJ-KDURUIRLSA-N 2 1 372.473 0.780 20 0 FCADMP C[C@@]1(O)CC[NH+](Cc2cc(C[N@@H+]3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150470 1283246070 /nfs/dbraw/zinc/24/60/70/1283246070.db2.gz QYABYZLYHIAKNJ-KDURUIRLSA-N 2 1 372.473 0.780 20 0 FCADMP C[C@@]1(O)CC[NH+](Cc2cc(C[N@H+]3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001590150470 1283246071 /nfs/dbraw/zinc/24/60/71/1283246071.db2.gz QYABYZLYHIAKNJ-KDURUIRLSA-N 2 1 372.473 0.780 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH3+] ZINC001590192628 1283298740 /nfs/dbraw/zinc/29/87/40/1283298740.db2.gz VITMZUYAFKHUMV-OCVGTWLNSA-N 2 1 360.462 0.912 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270619 1283395984 /nfs/dbraw/zinc/39/59/84/1283395984.db2.gz CWEZVKSLVAGPPD-IBUXWKBASA-N 2 1 356.434 0.110 20 0 FCADMP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001590269187 1283396629 /nfs/dbraw/zinc/39/66/29/1283396629.db2.gz QSYHJMCVPMLISO-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001719066780 1287648283 /nfs/dbraw/zinc/64/82/83/1287648283.db2.gz UFDZFCVHPUNMEB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001719066780 1287648295 /nfs/dbraw/zinc/64/82/95/1287648295.db2.gz UFDZFCVHPUNMEB-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590732495 1283765509 /nfs/dbraw/zinc/76/55/09/1283765509.db2.gz HVMKFHSNRAHTMB-HNNXBMFYSA-N 2 1 372.477 0.750 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590733293 1283766357 /nfs/dbraw/zinc/76/63/57/1283766357.db2.gz NDRGBOLNIWDUPB-INIZCTEOSA-N 2 1 357.462 0.947 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001590733259 1283767057 /nfs/dbraw/zinc/76/70/57/1283767057.db2.gz MPMTTYHZZWXEGJ-INIZCTEOSA-N 2 1 357.462 0.947 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC[NH2+]CC1 ZINC001590755229 1283813944 /nfs/dbraw/zinc/81/39/44/1283813944.db2.gz GSSVXKAUVILNNC-SNVBAGLBSA-N 2 1 365.463 0.734 20 0 FCADMP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001591084706 1284154337 /nfs/dbraw/zinc/15/43/37/1284154337.db2.gz ZMRTXKVRXLUCBN-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001591104600 1284177591 /nfs/dbraw/zinc/17/75/91/1284177591.db2.gz PSNKTTHYMFACMZ-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001591135252 1284207375 /nfs/dbraw/zinc/20/73/75/1284207375.db2.gz LCXLOYLKFIHJMD-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001591135252 1284207382 /nfs/dbraw/zinc/20/73/82/1284207382.db2.gz LCXLOYLKFIHJMD-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001591135252 1284207391 /nfs/dbraw/zinc/20/73/91/1284207391.db2.gz LCXLOYLKFIHJMD-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@@H+]1CC=C(C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591171850 1284254952 /nfs/dbraw/zinc/25/49/52/1284254952.db2.gz SAONEOAKZDMKSH-UHFFFAOYSA-N 2 1 362.459 0.492 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175197 1284261436 /nfs/dbraw/zinc/26/14/36/1284261436.db2.gz JCGFIDLNALKQDB-JDGPPOGSSA-N 2 1 361.475 0.642 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174896 1284263556 /nfs/dbraw/zinc/26/35/56/1284263556.db2.gz CJYLKKBARWODNN-KGLIPLIRSA-N 2 1 370.461 0.546 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001591175020 1284264373 /nfs/dbraw/zinc/26/43/73/1284264373.db2.gz LMEOSLYFFVMEPK-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001591175020 1284264379 /nfs/dbraw/zinc/26/43/79/1284264379.db2.gz LMEOSLYFFVMEPK-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001591179561 1284279189 /nfs/dbraw/zinc/27/91/89/1284279189.db2.gz BFPKUUUHDNNUDJ-SFHVURJKSA-N 2 1 357.462 0.492 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001591179561 1284279198 /nfs/dbraw/zinc/27/91/98/1284279198.db2.gz BFPKUUUHDNNUDJ-SFHVURJKSA-N 2 1 357.462 0.492 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591184725 1284292460 /nfs/dbraw/zinc/29/24/60/1284292460.db2.gz QZZYJAMIDOLKKQ-MAUKXSAKSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591186620 1284299820 /nfs/dbraw/zinc/29/98/20/1284299820.db2.gz VROLIMSYQUAMSF-HNNXBMFYSA-N 2 1 357.462 0.947 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC001591215443 1284350379 /nfs/dbraw/zinc/35/03/79/1284350379.db2.gz JSTZQFMBMPECIL-MLGOLLRUSA-N 2 1 355.446 0.512 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001591744381 1284870724 /nfs/dbraw/zinc/87/07/24/1284870724.db2.gz VEMLRONGUXJENK-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001591744139 1284872994 /nfs/dbraw/zinc/87/29/94/1284872994.db2.gz JPSJBHVJHLEUMP-UKPHBRMFSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001591744139 1284872999 /nfs/dbraw/zinc/87/29/99/1284872999.db2.gz JPSJBHVJHLEUMP-UKPHBRMFSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001591744139 1284873004 /nfs/dbraw/zinc/87/30/04/1284873004.db2.gz JPSJBHVJHLEUMP-UKPHBRMFSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C ZINC001591774470 1284894531 /nfs/dbraw/zinc/89/45/31/1284894531.db2.gz MBPQRJNIJQRQEB-RYUDHWBXSA-N 2 1 363.491 0.864 20 0 FCADMP C[N@@H+](CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001604709678 1287746796 /nfs/dbraw/zinc/74/67/96/1287746796.db2.gz BLJGQAQUZGDTOF-UHFFFAOYSA-N 2 1 360.466 0.580 20 0 FCADMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[NH+]2C)[nH+]1 ZINC001592044819 1285086821 /nfs/dbraw/zinc/08/68/21/1285086821.db2.gz JQMADCOBVZYEPG-QWHCGFSZSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@@H+]2C)[nH+]1 ZINC001592044819 1285086826 /nfs/dbraw/zinc/08/68/26/1285086826.db2.gz JQMADCOBVZYEPG-QWHCGFSZSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@H+]2C)[nH+]1 ZINC001592044819 1285086827 /nfs/dbraw/zinc/08/68/27/1285086827.db2.gz JQMADCOBVZYEPG-QWHCGFSZSA-N 3 1 357.466 0.802 20 0 FCADMP Cc1cc(NCCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047168 1285091116 /nfs/dbraw/zinc/09/11/16/1285091116.db2.gz KGARKCIOHJLWCL-CYBMUJFWSA-N 2 1 372.477 0.594 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@H]1O ZINC001719118796 1287776870 /nfs/dbraw/zinc/77/68/70/1287776870.db2.gz HZWZLAQOVBTSES-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1O ZINC001719118796 1287776872 /nfs/dbraw/zinc/77/68/72/1287776872.db2.gz HZWZLAQOVBTSES-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1O ZINC001719118796 1287776876 /nfs/dbraw/zinc/77/68/76/1287776876.db2.gz HZWZLAQOVBTSES-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719120214 1287778836 /nfs/dbraw/zinc/77/88/36/1287778836.db2.gz OWFBPTJPBLLAJY-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001702414615 1285656506 /nfs/dbraw/zinc/65/65/06/1285656506.db2.gz YUODPYYDXVPXKS-KZNAEPCWSA-N 2 1 362.518 0.873 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@H]21 ZINC001592740921 1285658994 /nfs/dbraw/zinc/65/89/94/1285658994.db2.gz JPSLOCRUTXBMFW-DZUCGIPZSA-N 2 1 367.457 0.639 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001592786186 1285712013 /nfs/dbraw/zinc/71/20/13/1285712013.db2.gz DJSMQDHPJBZJLD-GOEBONIOSA-N 2 1 353.430 0.406 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)CC[N@H+]1C ZINC001703496902 1286113272 /nfs/dbraw/zinc/11/32/72/1286113272.db2.gz DZNIROQXDHBUMM-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001704942277 1286325853 /nfs/dbraw/zinc/32/58/53/1286325853.db2.gz RLPQBYQJUFGRQC-HYVNUMGLSA-N 2 1 368.522 0.040 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001707166374 1286487659 /nfs/dbraw/zinc/48/76/59/1286487659.db2.gz WNCZJCKUMIUPFS-KFWWJZLASA-N 2 1 369.510 0.389 20 0 FCADMP C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC1(C)C ZINC001604862488 1287802498 /nfs/dbraw/zinc/80/24/98/1287802498.db2.gz JSNKJDKDUDZKSS-INIZCTEOSA-N 2 1 369.473 0.996 20 0 FCADMP C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC1(C)C ZINC001604862488 1287802500 /nfs/dbraw/zinc/80/25/00/1287802500.db2.gz JSNKJDKDUDZKSS-INIZCTEOSA-N 2 1 369.473 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001605431707 1287960333 /nfs/dbraw/zinc/96/03/33/1287960333.db2.gz BMOWDFINLXIJJL-VDNDLQMASA-N 2 1 369.473 0.944 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC[N@H+]1C ZINC001605431576 1287960519 /nfs/dbraw/zinc/96/05/19/1287960519.db2.gz ZNIFIBOUYNDSRC-KFNAQCHYSA-N 2 1 370.461 0.331 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001719295655 1288056339 /nfs/dbraw/zinc/05/63/39/1288056339.db2.gz HZWZLAQOVBTSES-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001719295655 1288056348 /nfs/dbraw/zinc/05/63/48/1288056348.db2.gz HZWZLAQOVBTSES-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1O ZINC001719295655 1288056357 /nfs/dbraw/zinc/05/63/57/1288056357.db2.gz HZWZLAQOVBTSES-ZACQAIPSSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001719301729 1288068081 /nfs/dbraw/zinc/06/80/81/1288068081.db2.gz AWYZENPNMYEWRR-SJORKVTESA-N 2 1 368.522 0.138 20 0 FCADMP Cc1cc(NC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605738234 1288068463 /nfs/dbraw/zinc/06/84/63/1288068463.db2.gz MTRUMCNKEQNIHE-YNEHKIRRSA-N 2 1 358.450 0.249 20 0 FCADMP [NH3+][C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001606436333 1288317052 /nfs/dbraw/zinc/31/70/52/1288317052.db2.gz YFEPCGQCGJUZAZ-DLBZAZTESA-N 2 1 363.425 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@@H](C)C3)CCC2)CC[N@H+]1C ZINC001724786353 1288449777 /nfs/dbraw/zinc/44/97/77/1288449777.db2.gz PITCFPVGWUBIED-ARFHVFGLSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H]3CCCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001724785086 1288450375 /nfs/dbraw/zinc/45/03/75/1288450375.db2.gz HEKSKGDVODCIMP-BZUAXINKSA-N 2 1 371.547 0.780 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001731911824 1288570870 /nfs/dbraw/zinc/57/08/70/1288570870.db2.gz XARITTJOFODGIY-WQVCFCJDSA-N 2 1 350.438 0.740 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001731911824 1288570874 /nfs/dbraw/zinc/57/08/74/1288570874.db2.gz XARITTJOFODGIY-WQVCFCJDSA-N 2 1 350.438 0.740 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655479 1288590114 /nfs/dbraw/zinc/59/01/14/1288590114.db2.gz BKLABGGSDMMDLN-ZCNNSNEGSA-N 2 1 368.481 0.994 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCNC(=O)C4CC4)C3)C2)CC[N@H+]1C ZINC001733296895 1288608059 /nfs/dbraw/zinc/60/80/59/1288608059.db2.gz UOUHOXOFRUIDDS-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCNC(=O)C4CC4)C3)C2)CC[NH+]1C ZINC001733296895 1288608062 /nfs/dbraw/zinc/60/80/62/1288608062.db2.gz UOUHOXOFRUIDDS-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCNC(=O)C4CC4)C3)C2)CC[NH+]1C ZINC001733296895 1288608065 /nfs/dbraw/zinc/60/80/65/1288608065.db2.gz UOUHOXOFRUIDDS-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP O[C@H](C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607096045 1288660148 /nfs/dbraw/zinc/66/01/48/1288660148.db2.gz GOAMKILVUKLLSF-OWCLPIDISA-N 2 1 358.446 0.823 20 0 FCADMP O[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@H](O)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607108291 1288666953 /nfs/dbraw/zinc/66/69/53/1288666953.db2.gz KNDDYOYPVXNSMH-QZTJIDSGSA-N 2 1 372.473 0.780 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC001736232053 1289211522 /nfs/dbraw/zinc/21/15/22/1289211522.db2.gz SLVCNSDJQSMNDL-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001736232053 1289211532 /nfs/dbraw/zinc/21/15/32/1289211532.db2.gz SLVCNSDJQSMNDL-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC001736232053 1289211540 /nfs/dbraw/zinc/21/15/40/1289211540.db2.gz SLVCNSDJQSMNDL-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001691987938 1289358310 /nfs/dbraw/zinc/35/83/10/1289358310.db2.gz CLPFBMXPNIISNC-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001691987938 1289358321 /nfs/dbraw/zinc/35/83/21/1289358321.db2.gz CLPFBMXPNIISNC-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001692027633 1289370642 /nfs/dbraw/zinc/37/06/42/1289370642.db2.gz YNSZLFUUBURRJJ-UONOGXRCSA-N 2 1 353.467 0.026 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001692027633 1289370650 /nfs/dbraw/zinc/37/06/50/1289370650.db2.gz YNSZLFUUBURRJJ-UONOGXRCSA-N 2 1 353.467 0.026 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001692062108 1289381958 /nfs/dbraw/zinc/38/19/58/1289381958.db2.gz RJUGBWMKVIYRRD-FGTMMUONSA-N 2 1 362.518 0.635 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692281182 1289440899 /nfs/dbraw/zinc/44/08/99/1289440899.db2.gz UWRXUMDYKUGPDV-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692281182 1289440906 /nfs/dbraw/zinc/44/09/06/1289440906.db2.gz UWRXUMDYKUGPDV-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692281182 1289440910 /nfs/dbraw/zinc/44/09/10/1289440910.db2.gz UWRXUMDYKUGPDV-KSZLIROESA-N 2 1 364.534 0.977 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001698706895 1289533530 /nfs/dbraw/zinc/53/35/30/1289533530.db2.gz DFMPZJPUTUVZGX-KJWHEZOQSA-N 2 1 367.494 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001698721750 1289533697 /nfs/dbraw/zinc/53/36/97/1289533697.db2.gz RZFFLKAELRPLNC-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001698748011 1289534783 /nfs/dbraw/zinc/53/47/83/1289534783.db2.gz IGXGXGSVQWHFKC-VHDGCEQUSA-N 2 1 365.478 0.994 20 0 FCADMP C[C@@H](CC[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699101390 1289545485 /nfs/dbraw/zinc/54/54/85/1289545485.db2.gz CIBZLOVLWSLEHL-YNEHKIRRSA-N 2 1 366.428 0.880 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001699102100 1289546515 /nfs/dbraw/zinc/54/65/15/1289546515.db2.gz HHVJGANSXABLHS-MRVWCRGKSA-N 2 1 351.451 0.746 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001699899503 1289573269 /nfs/dbraw/zinc/57/32/69/1289573269.db2.gz XTCULPZEMVRWCT-QBIMZIAESA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001699899503 1289573278 /nfs/dbraw/zinc/57/32/78/1289573278.db2.gz XTCULPZEMVRWCT-QBIMZIAESA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001699899503 1289573288 /nfs/dbraw/zinc/57/32/88/1289573288.db2.gz XTCULPZEMVRWCT-QBIMZIAESA-N 2 1 350.438 0.614 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001699899503 1289573294 /nfs/dbraw/zinc/57/32/94/1289573294.db2.gz XTCULPZEMVRWCT-QBIMZIAESA-N 2 1 350.438 0.614 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N(CC)CC)C2)CC[N@@H+]1C ZINC001699898149 1289574365 /nfs/dbraw/zinc/57/43/65/1289574365.db2.gz MHYYTPOUUSJXRC-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)N(CC)CC)C2)CC[N@H+]1C ZINC001699898149 1289574373 /nfs/dbraw/zinc/57/43/73/1289574373.db2.gz MHYYTPOUUSJXRC-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(CC)CC)C2)CC[NH+]1C ZINC001699898149 1289574378 /nfs/dbraw/zinc/57/43/78/1289574378.db2.gz MHYYTPOUUSJXRC-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(CC)CC)C2)CC[NH+]1C ZINC001699898149 1289574386 /nfs/dbraw/zinc/57/43/86/1289574386.db2.gz MHYYTPOUUSJXRC-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001753006873 1290617595 /nfs/dbraw/zinc/61/75/95/1290617595.db2.gz SWBHZZOMMHAQLO-QLFBSQMISA-N 2 1 364.494 0.523 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001755211536 1290643431 /nfs/dbraw/zinc/64/34/31/1290643431.db2.gz UOEJNMHHQBEAOA-SSHXOBKSSA-N 2 1 351.495 0.226 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1 ZINC001757182572 1290732675 /nfs/dbraw/zinc/73/26/75/1290732675.db2.gz GAUOWGXMJWMLOH-ZACQAIPSSA-N 2 1 368.522 0.137 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311852 1291405678 /nfs/dbraw/zinc/40/56/78/1291405678.db2.gz BFFKDRIUUKOIST-QZTJIDSGSA-N 2 1 373.501 0.431 20 0 FCADMP C[NH+]1CCN(c2ncc(CNC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cn2)CC1 ZINC001657551510 1291613306 /nfs/dbraw/zinc/61/33/06/1291613306.db2.gz FYTMNNSAAQOZIZ-RBUKOAKNSA-N 2 1 374.533 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001664876050 1291820561 /nfs/dbraw/zinc/82/05/61/1291820561.db2.gz JQHKOTQSJCCQBQ-NVXWUHKLSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)Nc1nncs1 ZINC001666553022 1291913678 /nfs/dbraw/zinc/91/36/78/1291913678.db2.gz NDTLOYUTXLZTKA-IJLUTSLNSA-N 2 1 354.480 0.159 20 0 FCADMP CN(C)c1cc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc[nH+]1 ZINC001674024591 1292129858 /nfs/dbraw/zinc/12/98/58/1292129858.db2.gz GNDBCNBVPVJVLO-UHFFFAOYSA-N 2 1 374.449 0.666 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C[NH+]1CCN(C)CC1 ZINC001678782425 1292281708 /nfs/dbraw/zinc/28/17/08/1292281708.db2.gz JBQLVXNPQZWOPO-DLBZAZTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782425 1292281710 /nfs/dbraw/zinc/28/17/10/1292281710.db2.gz JBQLVXNPQZWOPO-DLBZAZTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)CN1CC[NH+](C)CC1 ZINC001678782425 1292281712 /nfs/dbraw/zinc/28/17/12/1292281712.db2.gz JBQLVXNPQZWOPO-DLBZAZTESA-N 2 1 355.527 0.016 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001688489406 1294498778 /nfs/dbraw/zinc/49/87/78/1294498778.db2.gz NOAZXXMRTJBWID-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001688489406 1294498782 /nfs/dbraw/zinc/49/87/82/1294498782.db2.gz NOAZXXMRTJBWID-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001688489406 1294498787 /nfs/dbraw/zinc/49/87/87/1294498787.db2.gz NOAZXXMRTJBWID-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001688489406 1294498791 /nfs/dbraw/zinc/49/87/91/1294498791.db2.gz NOAZXXMRTJBWID-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)on1 ZINC001688791290 1294532433 /nfs/dbraw/zinc/53/24/33/1294532433.db2.gz ZKZMIEFQIVEHGE-VHDGCEQUSA-N 2 1 363.462 0.700 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](OCC)C1 ZINC001689065441 1294588385 /nfs/dbraw/zinc/58/83/85/1294588385.db2.gz LRINNWRUYAZILX-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184676 1294652342 /nfs/dbraw/zinc/65/23/42/1294652342.db2.gz OIOQJHBQARTBHC-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184676 1294652351 /nfs/dbraw/zinc/65/23/51/1294652351.db2.gz OIOQJHBQARTBHC-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184676 1294652362 /nfs/dbraw/zinc/65/23/62/1294652362.db2.gz OIOQJHBQARTBHC-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@@H]2CC)C1 ZINC001689184676 1294652376 /nfs/dbraw/zinc/65/23/76/1294652376.db2.gz OIOQJHBQARTBHC-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(CC)CC)CC[C@@H]2C1)[NH+](C)C ZINC001689224951 1294683262 /nfs/dbraw/zinc/68/32/62/1294683262.db2.gz YEUOSRGSKMVSPK-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001689244936 1294704034 /nfs/dbraw/zinc/70/40/34/1294704034.db2.gz KLRPKULDNASRMS-OWCLPIDISA-N 2 1 356.511 0.210 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689244936 1294704042 /nfs/dbraw/zinc/70/40/42/1294704042.db2.gz KLRPKULDNASRMS-OWCLPIDISA-N 2 1 356.511 0.210 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001689244936 1294704048 /nfs/dbraw/zinc/70/40/48/1294704048.db2.gz KLRPKULDNASRMS-OWCLPIDISA-N 2 1 356.511 0.210 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCCNC(=O)C(F)(F)F ZINC001689314883 1294738105 /nfs/dbraw/zinc/73/81/05/1294738105.db2.gz PUOQXEMYMVJJKG-OLZOCXBDSA-N 2 1 366.428 0.976 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001689316958 1294739963 /nfs/dbraw/zinc/73/99/63/1294739963.db2.gz QIEZLSPGQTUCBG-HLLBOEOZSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001689316958 1294739973 /nfs/dbraw/zinc/73/99/73/1294739973.db2.gz QIEZLSPGQTUCBG-HLLBOEOZSA-N 2 1 354.495 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC/C=C/CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001689350190 1294768701 /nfs/dbraw/zinc/76/87/01/1294768701.db2.gz WQPOHYLNFXEXRI-BUWFCSEKSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COCc3ccco3)C2)CC[N@H+]1C ZINC001690276386 1294863010 /nfs/dbraw/zinc/86/30/10/1294863010.db2.gz AWHZVDJBOPBKHD-MAPUTHEBSA-N 2 1 365.474 0.734 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001690405489 1294866851 /nfs/dbraw/zinc/86/68/51/1294866851.db2.gz KVMYKSYOJITWJL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001690405490 1294867664 /nfs/dbraw/zinc/86/76/64/1294867664.db2.gz KVMYKSYOJITWJL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C)[NH+](C)C ZINC001691688917 1294913885 /nfs/dbraw/zinc/91/38/85/1294913885.db2.gz MTVBGBAUTPUQPD-KEYYUXOJSA-N 2 1 352.479 0.301 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ncc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164684301 719611953 /nfs/dbraw/zinc/61/19/53/719611953.db2.gz OHDYBAUZKOPLOT-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ncc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164684301 719611959 /nfs/dbraw/zinc/61/19/59/719611959.db2.gz OHDYBAUZKOPLOT-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2C[NH2+]C3)CC1 ZINC001164823088 720308890 /nfs/dbraw/zinc/30/88/90/720308890.db2.gz ODYQZCKDEMGCLN-ROUUACIJSA-N 2 1 370.501 0.991 20 0 FCADMP c1ncc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@@H+]3C2)cn1 ZINC001164741515 720608751 /nfs/dbraw/zinc/60/87/51/720608751.db2.gz LIMZNRLFWRFZFL-GJZGRUSLSA-N 2 1 367.457 0.297 20 0 FCADMP c1ncc(O[C@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[N@H+]3C2)cn1 ZINC001164740901 720806432 /nfs/dbraw/zinc/80/64/32/720806432.db2.gz AWIGVWWUTGURBK-GJZGRUSLSA-N 2 1 353.430 0.295 20 0 FCADMP [NH3+]Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740761 720821364 /nfs/dbraw/zinc/82/13/64/720821364.db2.gz LFFARPWMSNMCMM-KBAYOESNSA-N 2 1 368.489 0.906 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164771675 721090192 /nfs/dbraw/zinc/09/01/92/721090192.db2.gz STZVEZRWLSHRNI-RDJZCZTQSA-N 2 1 353.474 0.814 20 0 FCADMP c1csc(C[NH+]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)n1 ZINC001164786667 721397793 /nfs/dbraw/zinc/39/77/93/721397793.db2.gz OTTUJTDZGNRYIM-GJZGRUSLSA-N 2 1 371.514 0.911 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930811 721853062 /nfs/dbraw/zinc/85/30/62/721853062.db2.gz SUQZLZRBNHQFAC-CABCVRRESA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930811 721853063 /nfs/dbraw/zinc/85/30/63/721853063.db2.gz SUQZLZRBNHQFAC-CABCVRRESA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924374 721871027 /nfs/dbraw/zinc/87/10/27/721871027.db2.gz LEBYKYVEHOBFBZ-ZWKOTPCHSA-N 2 1 372.517 0.342 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001164924374 721871031 /nfs/dbraw/zinc/87/10/31/721871031.db2.gz LEBYKYVEHOBFBZ-ZWKOTPCHSA-N 2 1 372.517 0.342 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001067536167 837465365 /nfs/dbraw/zinc/46/53/65/837465365.db2.gz OOJUDKVENDRDGF-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001067536167 837465366 /nfs/dbraw/zinc/46/53/66/837465366.db2.gz OOJUDKVENDRDGF-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001067536167 837465368 /nfs/dbraw/zinc/46/53/68/837465368.db2.gz OOJUDKVENDRDGF-BRWVUGGUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260376 837640568 /nfs/dbraw/zinc/64/05/68/837640568.db2.gz GRRJRHCHYIOPMW-OWCLPIDISA-N 2 1 350.467 0.139 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260376 837640569 /nfs/dbraw/zinc/64/05/69/837640569.db2.gz GRRJRHCHYIOPMW-OWCLPIDISA-N 2 1 350.467 0.139 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001070805588 837681240 /nfs/dbraw/zinc/68/12/40/837681240.db2.gz FPVCKHVUJXDNAL-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106712 837735482 /nfs/dbraw/zinc/73/54/82/837735482.db2.gz QODZLWSYEZGBAZ-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@@H]2CCOC2)C3)O1 ZINC001072849410 837744961 /nfs/dbraw/zinc/74/49/61/837744961.db2.gz DKBHRYGFWOUWMT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC[C@@H]2CCOC2)C3)O1 ZINC001072849410 837744967 /nfs/dbraw/zinc/74/49/67/837744967.db2.gz DKBHRYGFWOUWMT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC[C@@H]2CCOC2)C3)O1 ZINC001072849410 837744975 /nfs/dbraw/zinc/74/49/75/837744975.db2.gz DKBHRYGFWOUWMT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC[C@@H]2CCOC2)C3)O1 ZINC001072849410 837744983 /nfs/dbraw/zinc/74/49/83/837744983.db2.gz DKBHRYGFWOUWMT-BRWVUGGUSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074657825 837821422 /nfs/dbraw/zinc/82/14/22/837821422.db2.gz GVKLKNHEKKXULE-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)[C@@H]2C)CC[N@H+]1C ZINC001074661699 837821891 /nfs/dbraw/zinc/82/18/91/837821891.db2.gz GBNZXCLMKFEIRQ-WTTBNOFXSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001100343343 844051930 /nfs/dbraw/zinc/05/19/30/844051930.db2.gz AWZAGMBHUZEIDH-RDHHWEPZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171496 844087171 /nfs/dbraw/zinc/08/71/71/844087171.db2.gz CJVIQCLKARRQNR-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171496 844087179 /nfs/dbraw/zinc/08/71/79/844087179.db2.gz CJVIQCLKARRQNR-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171496 844087191 /nfs/dbraw/zinc/08/71/91/844087191.db2.gz CJVIQCLKARRQNR-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000379845923 836049717 /nfs/dbraw/zinc/04/97/17/836049717.db2.gz FLAYQANRGWQTDL-KRWDZBQOSA-N 2 1 352.504 0.638 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277636 844130381 /nfs/dbraw/zinc/13/03/81/844130381.db2.gz QMVZWZQALDBRJA-INMHGKMJSA-N 2 1 359.536 0.542 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277636 844130385 /nfs/dbraw/zinc/13/03/85/844130385.db2.gz QMVZWZQALDBRJA-INMHGKMJSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[N@H+](C(C)(C)C)CC1)C2=O ZINC000748082429 836281483 /nfs/dbraw/zinc/28/14/83/836281483.db2.gz LQRFIJYWIILUGF-UHFFFAOYSA-N 2 1 351.495 0.766 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339931 844152157 /nfs/dbraw/zinc/15/21/57/844152157.db2.gz MQWDBCSXHJILSF-GGXPGOJBSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339931 844152161 /nfs/dbraw/zinc/15/21/61/844152161.db2.gz MQWDBCSXHJILSF-GGXPGOJBSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339931 844152165 /nfs/dbraw/zinc/15/21/65/844152165.db2.gz MQWDBCSXHJILSF-GGXPGOJBSA-N 2 1 350.507 0.633 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342783 844152567 /nfs/dbraw/zinc/15/25/67/844152567.db2.gz MYWKUPQPOOEXSA-QAPCUYQASA-N 2 1 350.507 0.587 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101344842 844152985 /nfs/dbraw/zinc/15/29/85/844152985.db2.gz HDPFAJUYULPMFS-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101351311 844154642 /nfs/dbraw/zinc/15/46/42/844154642.db2.gz CMBJCKYCJWKFHY-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364292 844162136 /nfs/dbraw/zinc/16/21/36/844162136.db2.gz QUVCKLPCUGNCCI-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364292 844162139 /nfs/dbraw/zinc/16/21/39/844162139.db2.gz QUVCKLPCUGNCCI-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364292 844162141 /nfs/dbraw/zinc/16/21/41/844162141.db2.gz QUVCKLPCUGNCCI-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101364292 844162142 /nfs/dbraw/zinc/16/21/42/844162142.db2.gz QUVCKLPCUGNCCI-JZXOWHBKSA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@]2(C)C1 ZINC001101397979 844174012 /nfs/dbraw/zinc/17/40/12/844174012.db2.gz QMRSOIZOGNGXQB-APWZRJJASA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417440 844178698 /nfs/dbraw/zinc/17/86/98/844178698.db2.gz NURVZVMIACVKJK-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417440 844178708 /nfs/dbraw/zinc/17/87/08/844178708.db2.gz NURVZVMIACVKJK-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417440 844178715 /nfs/dbraw/zinc/17/87/15/844178715.db2.gz NURVZVMIACVKJK-KHYOSLBOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101418143 844180784 /nfs/dbraw/zinc/18/07/84/844180784.db2.gz BLFREZBZJJSWHI-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101418143 844180790 /nfs/dbraw/zinc/18/07/90/844180790.db2.gz BLFREZBZJJSWHI-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101418143 844180798 /nfs/dbraw/zinc/18/07/98/844180798.db2.gz BLFREZBZJJSWHI-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101432329 844184461 /nfs/dbraw/zinc/18/44/61/844184461.db2.gz MIGFQCQSBNSISP-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101432329 844184465 /nfs/dbraw/zinc/18/44/65/844184465.db2.gz MIGFQCQSBNSISP-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101432329 844184470 /nfs/dbraw/zinc/18/44/70/844184470.db2.gz MIGFQCQSBNSISP-MDZRGWNJSA-N 2 1 350.507 0.587 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461865 844193644 /nfs/dbraw/zinc/19/36/44/844193644.db2.gz WXLJAQQWYUHSER-SCTDSRPQSA-N 2 1 353.507 0.772 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621311 836701553 /nfs/dbraw/zinc/70/15/53/836701553.db2.gz SMAKQDLRWNURSO-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621311 836701558 /nfs/dbraw/zinc/70/15/58/836701558.db2.gz SMAKQDLRWNURSO-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621311 836701560 /nfs/dbraw/zinc/70/15/60/836701560.db2.gz SMAKQDLRWNURSO-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461721 844192762 /nfs/dbraw/zinc/19/27/62/844192762.db2.gz QLTRMPRWRRROLQ-FCEWJHQRSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065257237 836825585 /nfs/dbraw/zinc/82/55/85/836825585.db2.gz ROTGMNIKKMXKTF-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065257237 836825595 /nfs/dbraw/zinc/82/55/95/836825595.db2.gz ROTGMNIKKMXKTF-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065257237 836825601 /nfs/dbraw/zinc/82/56/01/836825601.db2.gz ROTGMNIKKMXKTF-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001076254112 837975862 /nfs/dbraw/zinc/97/58/62/837975862.db2.gz BSFIKPNCIGRCDA-SOUVJXGZSA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819710 844281207 /nfs/dbraw/zinc/28/12/07/844281207.db2.gz RDRJLMVRVYONHN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101819710 844281211 /nfs/dbraw/zinc/28/12/11/844281211.db2.gz RDRJLMVRVYONHN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101819710 844281218 /nfs/dbraw/zinc/28/12/18/844281218.db2.gz RDRJLMVRVYONHN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076407413 837997509 /nfs/dbraw/zinc/99/75/09/837997509.db2.gz CKOYSKUEBQEYCA-XYJFISCASA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001076745366 838078988 /nfs/dbraw/zinc/07/89/88/838078988.db2.gz ALDVQWFXZJYMAR-ARFHVFGLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CC[NH+]1CCOCC1 ZINC001076745430 838079861 /nfs/dbraw/zinc/07/98/61/838079861.db2.gz DSNDLNSMPPXXRA-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CC[NH+]1CCOCC1 ZINC001076745430 838079871 /nfs/dbraw/zinc/07/98/71/838079871.db2.gz DSNDLNSMPPXXRA-ARFHVFGLSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999057 838204666 /nfs/dbraw/zinc/20/46/66/838204666.db2.gz BYTXYCTVXMDCJT-GVDBMIGSSA-N 2 1 353.507 0.981 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982680 844360076 /nfs/dbraw/zinc/36/00/76/844360076.db2.gz CXRGLBKALBNJII-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982680 844360080 /nfs/dbraw/zinc/36/00/80/844360080.db2.gz CXRGLBKALBNJII-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982680 844360085 /nfs/dbraw/zinc/36/00/85/844360085.db2.gz CXRGLBKALBNJII-QBPKDAKJSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077184752 838797965 /nfs/dbraw/zinc/79/79/65/838797965.db2.gz TUDCKKWJZWXJPB-SQWLQELKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077184752 838797972 /nfs/dbraw/zinc/79/79/72/838797972.db2.gz TUDCKKWJZWXJPB-SQWLQELKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102045160 844394703 /nfs/dbraw/zinc/39/47/03/844394703.db2.gz USPNYGFTNFDYJK-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102045160 844394706 /nfs/dbraw/zinc/39/47/06/844394706.db2.gz USPNYGFTNFDYJK-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102045160 844394710 /nfs/dbraw/zinc/39/47/10/844394710.db2.gz USPNYGFTNFDYJK-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048584 844396880 /nfs/dbraw/zinc/39/68/80/844396880.db2.gz HJIGJGFBLZWXNW-QGPMSJSTSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O ZINC001077675589 839103748 /nfs/dbraw/zinc/10/37/48/839103748.db2.gz SJCZNMMUZBEJQS-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077675589 839103758 /nfs/dbraw/zinc/10/37/58/839103758.db2.gz SJCZNMMUZBEJQS-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077675589 839103764 /nfs/dbraw/zinc/10/37/64/839103764.db2.gz SJCZNMMUZBEJQS-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001077685640 839114135 /nfs/dbraw/zinc/11/41/35/839114135.db2.gz XRUAKSRHUHXNDQ-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001077685640 839114140 /nfs/dbraw/zinc/11/41/40/839114140.db2.gz XRUAKSRHUHXNDQ-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001077685640 839114146 /nfs/dbraw/zinc/11/41/46/839114146.db2.gz XRUAKSRHUHXNDQ-BRWVUGGUSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](C)C ZINC001102088105 844408804 /nfs/dbraw/zinc/40/88/04/844408804.db2.gz MPGHTTXPGKFCFC-BZUAXINKSA-N 2 1 356.511 0.163 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001077924154 839234260 /nfs/dbraw/zinc/23/42/60/839234260.db2.gz VWQDUSONFWYGLJ-IAGOWNOFSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001077924154 839234274 /nfs/dbraw/zinc/23/42/74/839234274.db2.gz VWQDUSONFWYGLJ-IAGOWNOFSA-N 2 1 366.531 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011809 839291435 /nfs/dbraw/zinc/29/14/35/839291435.db2.gz IYENYNUJRBPQRR-JHJVBQTASA-N 2 1 362.301 0.827 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011809 839291445 /nfs/dbraw/zinc/29/14/45/839291445.db2.gz IYENYNUJRBPQRR-JHJVBQTASA-N 2 1 362.301 0.827 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119609 844423431 /nfs/dbraw/zinc/42/34/31/844423431.db2.gz VXAUTLRSOIDQHQ-IAGOWNOFSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209960 839405090 /nfs/dbraw/zinc/40/50/90/839405090.db2.gz OSNAENSSWRFLEF-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209960 839405096 /nfs/dbraw/zinc/40/50/96/839405096.db2.gz OSNAENSSWRFLEF-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209960 839405109 /nfs/dbraw/zinc/40/51/09/839405109.db2.gz OSNAENSSWRFLEF-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)C1 ZINC001078209960 839405115 /nfs/dbraw/zinc/40/51/15/839405115.db2.gz OSNAENSSWRFLEF-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698381 839576570 /nfs/dbraw/zinc/57/65/70/839576570.db2.gz ZJCFTAFSETYCOK-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698381 839576580 /nfs/dbraw/zinc/57/65/80/839576580.db2.gz ZJCFTAFSETYCOK-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848569 839608291 /nfs/dbraw/zinc/60/82/91/839608291.db2.gz BWPIPNLITDSOTP-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848569 839608292 /nfs/dbraw/zinc/60/82/92/839608292.db2.gz BWPIPNLITDSOTP-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848569 839608295 /nfs/dbraw/zinc/60/82/95/839608295.db2.gz BWPIPNLITDSOTP-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079848569 839608296 /nfs/dbraw/zinc/60/82/96/839608296.db2.gz BWPIPNLITDSOTP-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254773 839691638 /nfs/dbraw/zinc/69/16/38/839691638.db2.gz FSUWNZIPXDYQTQ-IJEWVQPXSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254773 839691641 /nfs/dbraw/zinc/69/16/41/839691641.db2.gz FSUWNZIPXDYQTQ-IJEWVQPXSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329633 839704103 /nfs/dbraw/zinc/70/41/03/839704103.db2.gz IVWJLKHSJSYDCI-FXUDXRNXSA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329633 839704118 /nfs/dbraw/zinc/70/41/18/839704118.db2.gz IVWJLKHSJSYDCI-FXUDXRNXSA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329633 839704130 /nfs/dbraw/zinc/70/41/30/839704130.db2.gz IVWJLKHSJSYDCI-FXUDXRNXSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080383714 839714822 /nfs/dbraw/zinc/71/48/22/839714822.db2.gz SBNYKSJHUDRUQM-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312680 844464802 /nfs/dbraw/zinc/46/48/02/844464802.db2.gz ILCTWTJSDRVLNY-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001102330141 844467901 /nfs/dbraw/zinc/46/79/01/844467901.db2.gz DVFHBZVMSBURDR-JFIYKMOQSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C)[NH+](C)C ZINC001102337583 844469250 /nfs/dbraw/zinc/46/92/50/844469250.db2.gz JIWFQPHOQDUKNW-QGPMSJSTSA-N 2 1 352.523 0.783 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080704674 839779865 /nfs/dbraw/zinc/77/98/65/839779865.db2.gz FJZVDRHFRKJJLB-RHSMWYFYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080704674 839779873 /nfs/dbraw/zinc/77/98/73/839779873.db2.gz FJZVDRHFRKJJLB-RHSMWYFYSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368234 844475926 /nfs/dbraw/zinc/47/59/26/844475926.db2.gz LZXRXPWMZJXHJU-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368234 844475930 /nfs/dbraw/zinc/47/59/30/844475930.db2.gz LZXRXPWMZJXHJU-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368234 844475934 /nfs/dbraw/zinc/47/59/34/844475934.db2.gz LZXRXPWMZJXHJU-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080936169 839836835 /nfs/dbraw/zinc/83/68/35/839836835.db2.gz LPCMFIVJLFAGBG-VHDGCEQUSA-N 2 1 352.504 0.606 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080936169 839836839 /nfs/dbraw/zinc/83/68/39/839836839.db2.gz LPCMFIVJLFAGBG-VHDGCEQUSA-N 2 1 352.504 0.606 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080936169 839836842 /nfs/dbraw/zinc/83/68/42/839836842.db2.gz LPCMFIVJLFAGBG-VHDGCEQUSA-N 2 1 352.504 0.606 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370127 844477401 /nfs/dbraw/zinc/47/74/01/844477401.db2.gz RQYOAZGFFGBHQR-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370127 844477407 /nfs/dbraw/zinc/47/74/07/844477407.db2.gz RQYOAZGFFGBHQR-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370127 844477414 /nfs/dbraw/zinc/47/74/14/844477414.db2.gz RQYOAZGFFGBHQR-BFYDXBDKSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370080 844477471 /nfs/dbraw/zinc/47/74/71/844477471.db2.gz QCBFKUVACLIMSB-ARFHVFGLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370080 844477475 /nfs/dbraw/zinc/47/74/75/844477475.db2.gz QCBFKUVACLIMSB-ARFHVFGLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001102370080 844477479 /nfs/dbraw/zinc/47/74/79/844477479.db2.gz QCBFKUVACLIMSB-ARFHVFGLSA-N 2 1 352.523 0.927 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072797 840173537 /nfs/dbraw/zinc/17/35/37/840173537.db2.gz IVLPUQZOZFJWPP-FVQBIDKESA-N 2 1 351.447 0.807 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072797 840173541 /nfs/dbraw/zinc/17/35/41/840173541.db2.gz IVLPUQZOZFJWPP-FVQBIDKESA-N 2 1 351.447 0.807 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468487 844510834 /nfs/dbraw/zinc/51/08/34/844510834.db2.gz KUAVKYYLGABFQX-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468487 844510839 /nfs/dbraw/zinc/51/08/39/844510839.db2.gz KUAVKYYLGABFQX-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135971 840205318 /nfs/dbraw/zinc/20/53/18/840205318.db2.gz BMNVKXALENLBCL-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135971 840205329 /nfs/dbraw/zinc/20/53/29/840205329.db2.gz BMNVKXALENLBCL-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135971 840205343 /nfs/dbraw/zinc/20/53/43/840205343.db2.gz BMNVKXALENLBCL-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135971 840205358 /nfs/dbraw/zinc/20/53/58/840205358.db2.gz BMNVKXALENLBCL-NUEKZKHPSA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CCC1 ZINC001082329067 840314620 /nfs/dbraw/zinc/31/46/20/840314620.db2.gz ZJZKSRLHSFSEHU-IXDOHACOSA-N 2 1 351.491 0.713 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102495906 844529936 /nfs/dbraw/zinc/52/99/36/844529936.db2.gz SWAOFCSMPCIFEQ-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102495906 844529940 /nfs/dbraw/zinc/52/99/40/844529940.db2.gz SWAOFCSMPCIFEQ-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102495906 844529944 /nfs/dbraw/zinc/52/99/44/844529944.db2.gz SWAOFCSMPCIFEQ-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102495906 844529946 /nfs/dbraw/zinc/52/99/46/844529946.db2.gz SWAOFCSMPCIFEQ-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368862 840356355 /nfs/dbraw/zinc/35/63/55/840356355.db2.gz PKAKDTREGQZJBP-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368862 840356365 /nfs/dbraw/zinc/35/63/65/840356365.db2.gz PKAKDTREGQZJBP-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368862 840356377 /nfs/dbraw/zinc/35/63/77/840356377.db2.gz PKAKDTREGQZJBP-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369588 840358667 /nfs/dbraw/zinc/35/86/67/840358667.db2.gz SQNMZBGYOBNXQV-FRFSOERESA-N 2 1 350.463 0.813 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369588 840358675 /nfs/dbraw/zinc/35/86/75/840358675.db2.gz SQNMZBGYOBNXQV-FRFSOERESA-N 2 1 350.463 0.813 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369588 840358683 /nfs/dbraw/zinc/35/86/83/840358683.db2.gz SQNMZBGYOBNXQV-FRFSOERESA-N 2 1 350.463 0.813 20 0 FCADMP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369588 840358692 /nfs/dbraw/zinc/35/86/92/840358692.db2.gz SQNMZBGYOBNXQV-FRFSOERESA-N 2 1 350.463 0.813 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102497300 844530682 /nfs/dbraw/zinc/53/06/82/844530682.db2.gz LJRAGCCJHCDTGJ-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102497300 844530691 /nfs/dbraw/zinc/53/06/91/844530691.db2.gz LJRAGCCJHCDTGJ-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102497300 844530694 /nfs/dbraw/zinc/53/06/94/844530694.db2.gz LJRAGCCJHCDTGJ-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082507412 840442112 /nfs/dbraw/zinc/44/21/12/840442112.db2.gz PQZQZYJWKAAQCM-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514549 844545833 /nfs/dbraw/zinc/54/58/33/844545833.db2.gz ASWJDUGLKKMEKV-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514549 844545839 /nfs/dbraw/zinc/54/58/39/844545839.db2.gz ASWJDUGLKKMEKV-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082544602 840457314 /nfs/dbraw/zinc/45/73/14/840457314.db2.gz KHACJXSCJPGHRA-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082562100 840466490 /nfs/dbraw/zinc/46/64/90/840466490.db2.gz NRKUHBXHZJJRIC-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001082589223 840477699 /nfs/dbraw/zinc/47/76/99/840477699.db2.gz PQDHAKMCYFIQNV-RBSFLKMASA-N 2 1 351.499 0.750 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514549 844545832 /nfs/dbraw/zinc/54/58/32/844545832.db2.gz ASWJDUGLKKMEKV-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001082646225 840510561 /nfs/dbraw/zinc/51/05/61/840510561.db2.gz FMXPALBPPZDVFW-VNQPRFMTSA-N 2 1 368.503 0.453 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082653267 840512658 /nfs/dbraw/zinc/51/26/58/840512658.db2.gz CRLNSGYOOAXXEU-HDNNOUGTSA-N 2 1 363.487 0.338 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082741311 840542750 /nfs/dbraw/zinc/54/27/50/840542750.db2.gz WUGLYQHBVDTJAD-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082741211 840543612 /nfs/dbraw/zinc/54/36/12/840543612.db2.gz SQMMHBPTPYEXKI-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521163 844550561 /nfs/dbraw/zinc/55/05/61/844550561.db2.gz URTDRSYCZBEJCD-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520943 844550884 /nfs/dbraw/zinc/55/08/84/844550884.db2.gz IULKZSQERJDLJS-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102524228 844551742 /nfs/dbraw/zinc/55/17/42/844551742.db2.gz RTVXMFIGLPEOFI-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102524228 844551750 /nfs/dbraw/zinc/55/17/50/844551750.db2.gz RTVXMFIGLPEOFI-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102524228 844551756 /nfs/dbraw/zinc/55/17/56/844551756.db2.gz RTVXMFIGLPEOFI-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001082807855 840569570 /nfs/dbraw/zinc/56/95/70/840569570.db2.gz GUFPUAOGCQAJLS-RHSMWYFYSA-N 2 1 350.438 0.880 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)C1 ZINC001082933993 840613095 /nfs/dbraw/zinc/61/30/95/840613095.db2.gz SIKWZONQBCRRTC-YUELXQCFSA-N 2 1 368.503 0.809 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ns3)C2)C1 ZINC001082933993 840613098 /nfs/dbraw/zinc/61/30/98/840613098.db2.gz SIKWZONQBCRRTC-YUELXQCFSA-N 2 1 368.503 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579857 844574330 /nfs/dbraw/zinc/57/43/30/844574330.db2.gz UEXGNDGISBLWQA-NVXWUHKLSA-N 2 1 371.547 0.591 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247898 840831443 /nfs/dbraw/zinc/83/14/43/840831443.db2.gz JDDAIBHWWKKCSQ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247898 840831456 /nfs/dbraw/zinc/83/14/56/840831456.db2.gz JDDAIBHWWKKCSQ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247898 840831463 /nfs/dbraw/zinc/83/14/63/840831463.db2.gz JDDAIBHWWKKCSQ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)C1 ZINC001083247898 840831472 /nfs/dbraw/zinc/83/14/72/840831472.db2.gz JDDAIBHWWKKCSQ-BHYGNILZSA-N 2 1 364.515 0.939 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599164 844588901 /nfs/dbraw/zinc/58/89/01/844588901.db2.gz RVBRTVKCJBKTRW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599193 844589960 /nfs/dbraw/zinc/58/99/60/844589960.db2.gz SUICSRDESXMCFF-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385580 840955548 /nfs/dbraw/zinc/95/55/48/840955548.db2.gz SEKNTMHBBIOSJW-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385580 840955559 /nfs/dbraw/zinc/95/55/59/840955559.db2.gz SEKNTMHBBIOSJW-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385580 840955564 /nfs/dbraw/zinc/95/55/64/840955564.db2.gz SEKNTMHBBIOSJW-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2O)C1 ZINC001083385580 840955572 /nfs/dbraw/zinc/95/55/72/840955572.db2.gz SEKNTMHBBIOSJW-IKGGRYGDSA-N 2 1 351.491 0.449 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466449 841038079 /nfs/dbraw/zinc/03/80/79/841038079.db2.gz VAUUNLNARWKCJP-XHSDSOJGSA-N 2 1 364.515 0.497 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470330 841042985 /nfs/dbraw/zinc/04/29/85/841042985.db2.gz LUDSUMAUCXFPMQ-SJORKVTESA-N 2 1 351.495 0.656 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083645061 841272935 /nfs/dbraw/zinc/27/29/35/841272935.db2.gz JFSHXACHULOWIC-ZACQAIPSSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083645061 841272946 /nfs/dbraw/zinc/27/29/46/841272946.db2.gz JFSHXACHULOWIC-ZACQAIPSSA-N 2 1 350.463 0.294 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)C1CCCC1 ZINC001083645361 841273225 /nfs/dbraw/zinc/27/32/25/841273225.db2.gz XOTFSPINSBKILF-IKGGRYGDSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)C1CCCC1 ZINC001083645361 841273233 /nfs/dbraw/zinc/27/32/33/841273233.db2.gz XOTFSPINSBKILF-IKGGRYGDSA-N 2 1 350.463 0.558 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083733342 841376463 /nfs/dbraw/zinc/37/64/63/841376463.db2.gz KCURWUXKMRJNFT-XHSDSOJGSA-N 2 1 351.447 0.685 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083733342 841376475 /nfs/dbraw/zinc/37/64/75/841376475.db2.gz KCURWUXKMRJNFT-XHSDSOJGSA-N 2 1 351.447 0.685 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083887596 841534411 /nfs/dbraw/zinc/53/44/11/841534411.db2.gz AGIUSNYOSWNHQN-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083887596 841534423 /nfs/dbraw/zinc/53/44/23/841534423.db2.gz AGIUSNYOSWNHQN-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833536 861220241 /nfs/dbraw/zinc/22/02/41/861220241.db2.gz JQQRBMNVWLDYPI-KXBFYZLASA-N 2 1 350.507 0.907 20 0 FCADMP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878888 861242576 /nfs/dbraw/zinc/24/25/76/861242576.db2.gz MQFANLMTCKRCPG-IEZWGBDMSA-N 2 1 351.491 0.857 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275879337 861244333 /nfs/dbraw/zinc/24/43/33/861244333.db2.gz NHHSTAZBDFBCSL-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880115 861245588 /nfs/dbraw/zinc/24/55/88/861245588.db2.gz UCALFPXVDUJWKF-KXBFYZLASA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880115 861245598 /nfs/dbraw/zinc/24/55/98/861245598.db2.gz UCALFPXVDUJWKF-KXBFYZLASA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880115 861245607 /nfs/dbraw/zinc/24/56/07/861245607.db2.gz UCALFPXVDUJWKF-KXBFYZLASA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880066 861245798 /nfs/dbraw/zinc/24/57/98/861245798.db2.gz SUVNFLLLXIYWAC-DNVCBOLYSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275880066 861245810 /nfs/dbraw/zinc/24/58/10/861245810.db2.gz SUVNFLLLXIYWAC-DNVCBOLYSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001275880066 861245820 /nfs/dbraw/zinc/24/58/20/861245820.db2.gz SUVNFLLLXIYWAC-DNVCBOLYSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001275880066 861245830 /nfs/dbraw/zinc/24/58/30/861245830.db2.gz SUVNFLLLXIYWAC-DNVCBOLYSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001084752000 841907613 /nfs/dbraw/zinc/90/76/13/841907613.db2.gz NMJJYFRQPFCOBS-IAGOWNOFSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001084752000 841907616 /nfs/dbraw/zinc/90/76/16/841907616.db2.gz NMJJYFRQPFCOBS-IAGOWNOFSA-N 2 1 350.507 0.728 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCOC3)[C@H]2C1 ZINC001085056917 842000714 /nfs/dbraw/zinc/00/07/14/842000714.db2.gz QYBYJVMKEFIZDU-KSZLIROESA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)[C@H]2C1 ZINC001085056917 842000722 /nfs/dbraw/zinc/00/07/22/842000722.db2.gz QYBYJVMKEFIZDU-KSZLIROESA-N 2 1 351.491 0.668 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101577 842019324 /nfs/dbraw/zinc/01/93/24/842019324.db2.gz RWAUGDLYOFXEMU-SOLBZPMBSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101577 842019333 /nfs/dbraw/zinc/01/93/33/842019333.db2.gz RWAUGDLYOFXEMU-SOLBZPMBSA-N 2 1 350.507 0.776 20 0 FCADMP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)C1=O ZINC001085333400 842079480 /nfs/dbraw/zinc/07/94/80/842079480.db2.gz OLCQIMDAKKITJI-BZUAXINKSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601634 842107826 /nfs/dbraw/zinc/10/78/26/842107826.db2.gz CGNRJHKDRXYZFU-KSZLIROESA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2CCCC2=O)CC[N@@H+]1C ZINC001085606735 842109668 /nfs/dbraw/zinc/10/96/68/842109668.db2.gz WCUUPMUCMTXPQI-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2CCCC2=O)CC[N@H+]1C ZINC001085606735 842109678 /nfs/dbraw/zinc/10/96/78/842109678.db2.gz WCUUPMUCMTXPQI-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001085606735 842109681 /nfs/dbraw/zinc/10/96/81/842109681.db2.gz WCUUPMUCMTXPQI-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCN2CCCC2=O)CC[NH+]1C ZINC001085606735 842109688 /nfs/dbraw/zinc/10/96/88/842109688.db2.gz WCUUPMUCMTXPQI-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086090474 842119178 /nfs/dbraw/zinc/11/91/78/842119178.db2.gz AYABSCZETKNQBD-DGADGQDISA-N 2 1 357.520 0.246 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086659983 842145771 /nfs/dbraw/zinc/14/57/71/842145771.db2.gz SKXAWDHMUKTQBF-ZNMIVQPWSA-N 2 1 350.463 0.104 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086665642 842147554 /nfs/dbraw/zinc/14/75/54/842147554.db2.gz KGPOAIOCJANWKP-ZMSDIMECSA-N 2 1 350.463 0.997 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086665642 842147559 /nfs/dbraw/zinc/14/75/59/842147559.db2.gz KGPOAIOCJANWKP-ZMSDIMECSA-N 2 1 350.463 0.997 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087035090 842232981 /nfs/dbraw/zinc/23/29/81/842232981.db2.gz LEFWIXKQKMKKFK-BPLDGKMQSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087035090 842232990 /nfs/dbraw/zinc/23/29/90/842232990.db2.gz LEFWIXKQKMKKFK-BPLDGKMQSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087079322 842273219 /nfs/dbraw/zinc/27/32/19/842273219.db2.gz JSDFWNXGEDDGAV-GDBMZVCRSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087091351 842281452 /nfs/dbraw/zinc/28/14/52/842281452.db2.gz HXUNCCPBPOQTQU-QZTJIDSGSA-N 2 1 353.507 0.962 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087101099 842288760 /nfs/dbraw/zinc/28/87/60/842288760.db2.gz SSUJODIKQTXRLM-RBSFLKMASA-N 2 1 367.519 0.751 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087100915 842289413 /nfs/dbraw/zinc/28/94/13/842289413.db2.gz KXVUXJCTOJJWFE-BFHYXJOUSA-N 2 1 353.492 0.443 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087100388 842289856 /nfs/dbraw/zinc/28/98/56/842289856.db2.gz QYJSGKGRTNFUQM-BFYDXBDKSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087101720 842291596 /nfs/dbraw/zinc/29/15/96/842291596.db2.gz YRIBAXSZRZPWIX-BRWVUGGUSA-N 2 1 350.463 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087102128 842291780 /nfs/dbraw/zinc/29/17/80/842291780.db2.gz PLCRKHQZCPFZNO-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087102128 842291791 /nfs/dbraw/zinc/29/17/91/842291791.db2.gz PLCRKHQZCPFZNO-KZNAEPCWSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087175430 842308987 /nfs/dbraw/zinc/30/89/87/842308987.db2.gz NQVABERCIFORHV-PVAVHDDUSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC001087576050 842362459 /nfs/dbraw/zinc/36/24/59/842362459.db2.gz LITNYCWGAOVYNW-XDNAFOTISA-N 2 1 353.507 0.695 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCN1CCCC1=O ZINC001087796826 842433979 /nfs/dbraw/zinc/43/39/79/842433979.db2.gz NUKLMOLQILZNGQ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087796826 842433981 /nfs/dbraw/zinc/43/39/81/842433981.db2.gz NUKLMOLQILZNGQ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1CCCC1=O ZINC001087796826 842433985 /nfs/dbraw/zinc/43/39/85/842433985.db2.gz NUKLMOLQILZNGQ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC001087829860 842443376 /nfs/dbraw/zinc/44/33/76/842443376.db2.gz ZYAJDRCCDMJVBW-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001087829860 842443383 /nfs/dbraw/zinc/44/33/83/842443383.db2.gz ZYAJDRCCDMJVBW-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920327 842472069 /nfs/dbraw/zinc/47/20/69/842472069.db2.gz LEQJMRSIWRZDFG-RYRKJORJSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920327 842472076 /nfs/dbraw/zinc/47/20/76/842472076.db2.gz LEQJMRSIWRZDFG-RYRKJORJSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920327 842472082 /nfs/dbraw/zinc/47/20/82/842472082.db2.gz LEQJMRSIWRZDFG-RYRKJORJSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCOC4CCC4)CC[C@@H]3C2)C1 ZINC001087920327 842472089 /nfs/dbraw/zinc/47/20/89/842472089.db2.gz LEQJMRSIWRZDFG-RYRKJORJSA-N 2 1 351.491 0.666 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967922 842482292 /nfs/dbraw/zinc/48/22/92/842482292.db2.gz RLVUMARNZSOWFW-IXDOHACOSA-N 2 1 369.531 0.153 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967922 842482298 /nfs/dbraw/zinc/48/22/98/842482298.db2.gz RLVUMARNZSOWFW-IXDOHACOSA-N 2 1 369.531 0.153 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966761 842482666 /nfs/dbraw/zinc/48/26/66/842482666.db2.gz UDEJKQXXJLLRAS-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971929 842485509 /nfs/dbraw/zinc/48/55/09/842485509.db2.gz AQMHOCSHGIFCAC-LTIDMASMSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971929 842485512 /nfs/dbraw/zinc/48/55/12/842485512.db2.gz AQMHOCSHGIFCAC-LTIDMASMSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971929 842485516 /nfs/dbraw/zinc/48/55/16/842485516.db2.gz AQMHOCSHGIFCAC-LTIDMASMSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971929 842485518 /nfs/dbraw/zinc/48/55/18/842485518.db2.gz AQMHOCSHGIFCAC-LTIDMASMSA-N 2 1 371.547 0.542 20 0 FCADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087992108 842492981 /nfs/dbraw/zinc/49/29/81/842492981.db2.gz DOCKFEISWDFDSH-SOLBZPMBSA-N 2 1 351.491 0.402 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087992108 842492985 /nfs/dbraw/zinc/49/29/85/842492985.db2.gz DOCKFEISWDFDSH-SOLBZPMBSA-N 2 1 351.491 0.402 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087992108 842492986 /nfs/dbraw/zinc/49/29/86/842492986.db2.gz DOCKFEISWDFDSH-SOLBZPMBSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106181 842532331 /nfs/dbraw/zinc/53/23/31/842532331.db2.gz PFOQMLFWYSLJAU-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106181 842532336 /nfs/dbraw/zinc/53/23/36/842532336.db2.gz PFOQMLFWYSLJAU-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106181 842532343 /nfs/dbraw/zinc/53/23/43/842532343.db2.gz PFOQMLFWYSLJAU-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088106181 842532349 /nfs/dbraw/zinc/53/23/49/842532349.db2.gz PFOQMLFWYSLJAU-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129622 842538660 /nfs/dbraw/zinc/53/86/60/842538660.db2.gz XIRVRFKWQFRAEI-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129622 842538665 /nfs/dbraw/zinc/53/86/65/842538665.db2.gz XIRVRFKWQFRAEI-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129622 842538669 /nfs/dbraw/zinc/53/86/69/842538669.db2.gz XIRVRFKWQFRAEI-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212641 842562625 /nfs/dbraw/zinc/56/26/25/842562625.db2.gz FKZGPPKNZPNOGF-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212641 842562631 /nfs/dbraw/zinc/56/26/31/842562631.db2.gz FKZGPPKNZPNOGF-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088212641 842562638 /nfs/dbraw/zinc/56/26/38/842562638.db2.gz FKZGPPKNZPNOGF-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088577557 842616734 /nfs/dbraw/zinc/61/67/34/842616734.db2.gz AVRVCGMITDWCRF-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577557 842616742 /nfs/dbraw/zinc/61/67/42/842616742.db2.gz AVRVCGMITDWCRF-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088577557 842616745 /nfs/dbraw/zinc/61/67/45/842616745.db2.gz AVRVCGMITDWCRF-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088577557 842616749 /nfs/dbraw/zinc/61/67/49/842616749.db2.gz AVRVCGMITDWCRF-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620562 842632129 /nfs/dbraw/zinc/63/21/29/842632129.db2.gz QOSAJXAPZGEUOQ-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620562 842632136 /nfs/dbraw/zinc/63/21/36/842632136.db2.gz QOSAJXAPZGEUOQ-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620562 842632141 /nfs/dbraw/zinc/63/21/41/842632141.db2.gz QOSAJXAPZGEUOQ-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)C1 ZINC001088620562 842632148 /nfs/dbraw/zinc/63/21/48/842632148.db2.gz QOSAJXAPZGEUOQ-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088835615 842690214 /nfs/dbraw/zinc/69/02/14/842690214.db2.gz FLHUACBOYXZOOR-PBHICJAKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088835615 842690220 /nfs/dbraw/zinc/69/02/20/842690220.db2.gz FLHUACBOYXZOOR-PBHICJAKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088981233 842734754 /nfs/dbraw/zinc/73/47/54/842734754.db2.gz JLUVEWGBUXJQRY-ILXRZTDVSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088981233 842734759 /nfs/dbraw/zinc/73/47/59/842734759.db2.gz JLUVEWGBUXJQRY-ILXRZTDVSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088981233 842734765 /nfs/dbraw/zinc/73/47/65/842734765.db2.gz JLUVEWGBUXJQRY-ILXRZTDVSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001091036092 842936059 /nfs/dbraw/zinc/93/60/59/842936059.db2.gz SAUTUFBXTCIJIP-XSCHDIRWSA-N 2 1 352.458 0.572 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001091036135 842936431 /nfs/dbraw/zinc/93/64/31/842936431.db2.gz VMGCMLBTMOWPMA-RDHHWEPZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012996 843140909 /nfs/dbraw/zinc/14/09/09/843140909.db2.gz FZDAAVBFUJENGM-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012996 843140914 /nfs/dbraw/zinc/14/09/14/843140914.db2.gz FZDAAVBFUJENGM-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012996 843140921 /nfs/dbraw/zinc/14/09/21/843140921.db2.gz FZDAAVBFUJENGM-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092012996 843140929 /nfs/dbraw/zinc/14/09/29/843140929.db2.gz FZDAAVBFUJENGM-UXLLHSPISA-N 2 1 357.520 0.153 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1)OC ZINC001092099378 843161430 /nfs/dbraw/zinc/16/14/30/843161430.db2.gz RRVTXNJBUHGVRK-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1)OC ZINC001092099378 843161434 /nfs/dbraw/zinc/16/14/34/843161434.db2.gz RRVTXNJBUHGVRK-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504917 843223251 /nfs/dbraw/zinc/22/32/51/843223251.db2.gz DAXCGWNCEHEVSS-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504917 843223258 /nfs/dbraw/zinc/22/32/58/843223258.db2.gz DAXCGWNCEHEVSS-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504917 843223267 /nfs/dbraw/zinc/22/32/67/843223267.db2.gz DAXCGWNCEHEVSS-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092507313 843223471 /nfs/dbraw/zinc/22/34/71/843223471.db2.gz AKYDDXNQHUTSSH-OIISXLGYSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092507313 843223483 /nfs/dbraw/zinc/22/34/83/843223483.db2.gz AKYDDXNQHUTSSH-OIISXLGYSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092507313 843223494 /nfs/dbraw/zinc/22/34/94/843223494.db2.gz AKYDDXNQHUTSSH-OIISXLGYSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604844 843249099 /nfs/dbraw/zinc/24/90/99/843249099.db2.gz PPSRCWGXKSKWKN-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604844 843249110 /nfs/dbraw/zinc/24/91/10/843249110.db2.gz PPSRCWGXKSKWKN-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001092604844 843249117 /nfs/dbraw/zinc/24/91/17/843249117.db2.gz PPSRCWGXKSKWKN-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650601 843266661 /nfs/dbraw/zinc/26/66/61/843266661.db2.gz HLKSTZWAOHXSAF-MBNYWOFBSA-N 2 1 352.504 0.981 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650602 843266732 /nfs/dbraw/zinc/26/67/32/843266732.db2.gz HLKSTZWAOHXSAF-YRGRVCCFSA-N 2 1 352.504 0.981 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721018 843285185 /nfs/dbraw/zinc/28/51/85/843285185.db2.gz DNGGXEWFYZCSAP-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734727 843288298 /nfs/dbraw/zinc/28/82/98/843288298.db2.gz FRYNWTCJZXSEFJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734727 843288306 /nfs/dbraw/zinc/28/83/06/843288306.db2.gz FRYNWTCJZXSEFJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734727 843288318 /nfs/dbraw/zinc/28/83/18/843288318.db2.gz FRYNWTCJZXSEFJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194137 843403378 /nfs/dbraw/zinc/40/33/78/843403378.db2.gz WKNLDYAZAITYRA-MGPQQGTHSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194137 843403386 /nfs/dbraw/zinc/40/33/86/843403386.db2.gz WKNLDYAZAITYRA-MGPQQGTHSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001093194137 843403395 /nfs/dbraw/zinc/40/33/95/843403395.db2.gz WKNLDYAZAITYRA-MGPQQGTHSA-N 2 1 351.451 0.352 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001093194137 843403406 /nfs/dbraw/zinc/40/34/06/843403406.db2.gz WKNLDYAZAITYRA-MGPQQGTHSA-N 2 1 351.451 0.352 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209163 843409087 /nfs/dbraw/zinc/40/90/87/843409087.db2.gz VRVWVXHIEOFQFR-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209163 843409092 /nfs/dbraw/zinc/40/90/92/843409092.db2.gz VRVWVXHIEOFQFR-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209163 843409095 /nfs/dbraw/zinc/40/90/95/843409095.db2.gz VRVWVXHIEOFQFR-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2C)C1 ZINC001093209163 843409102 /nfs/dbraw/zinc/40/91/02/843409102.db2.gz VRVWVXHIEOFQFR-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690242 843455991 /nfs/dbraw/zinc/45/59/91/843455991.db2.gz OMZODOXWQVETBN-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690242 843455995 /nfs/dbraw/zinc/45/59/95/843455995.db2.gz OMZODOXWQVETBN-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001093691313 843456887 /nfs/dbraw/zinc/45/68/87/843456887.db2.gz QLPWJNRWOFLUEY-UNEWFSDZSA-N 2 1 350.438 0.735 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001093691313 843456894 /nfs/dbraw/zinc/45/68/94/843456894.db2.gz QLPWJNRWOFLUEY-UNEWFSDZSA-N 2 1 350.438 0.735 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)C1 ZINC001094231798 843535633 /nfs/dbraw/zinc/53/56/33/843535633.db2.gz CBGBBBXEHGNMQE-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)C1 ZINC001094231798 843535645 /nfs/dbraw/zinc/53/56/45/843535645.db2.gz CBGBBBXEHGNMQE-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)C1 ZINC001094232174 843537133 /nfs/dbraw/zinc/53/71/33/843537133.db2.gz ODHXHUIFRGQPQU-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)C1 ZINC001094232174 843537142 /nfs/dbraw/zinc/53/71/42/843537142.db2.gz ODHXHUIFRGQPQU-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP COCC[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276357701 861427712 /nfs/dbraw/zinc/42/77/12/861427712.db2.gz PRHLWRCGOYVFRB-KRWDZBQOSA-N 2 1 352.523 0.489 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC)CC3)CC[N@H+]1C ZINC001094418288 843550935 /nfs/dbraw/zinc/55/09/35/843550935.db2.gz QFAKZQDEQPBWII-WFXMFSGNSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)CC[NH+]1C ZINC001094418288 843550941 /nfs/dbraw/zinc/55/09/41/843550941.db2.gz QFAKZQDEQPBWII-WFXMFSGNSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)CC[NH+]1C ZINC001094418288 843550950 /nfs/dbraw/zinc/55/09/50/843550950.db2.gz QFAKZQDEQPBWII-WFXMFSGNSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094433229 843552485 /nfs/dbraw/zinc/55/24/85/843552485.db2.gz YHEMVJXKVWFEDF-FRQCXROJSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC001094433229 843552491 /nfs/dbraw/zinc/55/24/91/843552491.db2.gz YHEMVJXKVWFEDF-FRQCXROJSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC001094433229 843552500 /nfs/dbraw/zinc/55/25/00/843552500.db2.gz YHEMVJXKVWFEDF-FRQCXROJSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)O1 ZINC001097323180 843859539 /nfs/dbraw/zinc/85/95/39/843859539.db2.gz XHDQOJIJDVMBES-HUMVNOLHSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOC2CCC2)O1 ZINC001097323180 843859551 /nfs/dbraw/zinc/85/95/51/843859551.db2.gz XHDQOJIJDVMBES-HUMVNOLHSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC2CCC2)O1 ZINC001097323180 843859560 /nfs/dbraw/zinc/85/95/60/843859560.db2.gz XHDQOJIJDVMBES-HUMVNOLHSA-N 2 1 351.491 0.996 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC2CCC2)O1 ZINC001097323180 843859571 /nfs/dbraw/zinc/85/95/71/843859571.db2.gz XHDQOJIJDVMBES-HUMVNOLHSA-N 2 1 351.491 0.996 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)OC3(CC[NH+](CCO)CC3)C2)CC[N@H+]1C ZINC001098603710 843927755 /nfs/dbraw/zinc/92/77/55/843927755.db2.gz VNJFHUJASKUULQ-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098842284 843940225 /nfs/dbraw/zinc/94/02/25/843940225.db2.gz ZQSWAQWNGMOSCN-JZXOWHBKSA-N 2 1 369.531 0.344 20 0 FCADMP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098842284 843940227 /nfs/dbraw/zinc/94/02/27/843940227.db2.gz ZQSWAQWNGMOSCN-JZXOWHBKSA-N 2 1 369.531 0.344 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819639 844652262 /nfs/dbraw/zinc/65/22/62/844652262.db2.gz YCSZFTWAYWMKCS-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819639 844652265 /nfs/dbraw/zinc/65/22/65/844652265.db2.gz YCSZFTWAYWMKCS-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819639 844652268 /nfs/dbraw/zinc/65/22/68/844652268.db2.gz YCSZFTWAYWMKCS-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819639 844652274 /nfs/dbraw/zinc/65/22/74/844652274.db2.gz YCSZFTWAYWMKCS-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185653 844719023 /nfs/dbraw/zinc/71/90/23/844719023.db2.gz JCWKZVZDSFGOPT-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374236 844744962 /nfs/dbraw/zinc/74/49/62/844744962.db2.gz ATUKSWLMBNRBSE-OWCLPIDISA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C)[NH+](C)C ZINC001103407415 844752388 /nfs/dbraw/zinc/75/23/88/844752388.db2.gz BDQJVDFCNXPOBH-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497460 844768514 /nfs/dbraw/zinc/76/85/14/844768514.db2.gz HJCOPZXEEJTICW-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537115 844775591 /nfs/dbraw/zinc/77/55/91/844775591.db2.gz SVPNDDHAJKLWLX-OAGGEKHMSA-N 2 1 354.495 0.047 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537115 844775595 /nfs/dbraw/zinc/77/55/95/844775595.db2.gz SVPNDDHAJKLWLX-OAGGEKHMSA-N 2 1 354.495 0.047 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103550231 844777935 /nfs/dbraw/zinc/77/79/35/844777935.db2.gz GEKOVDRBEIWBBZ-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643500 844793190 /nfs/dbraw/zinc/79/31/90/844793190.db2.gz MVSRSKVMFUTYST-OWCLPIDISA-N 2 1 356.511 0.116 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718927 844807021 /nfs/dbraw/zinc/80/70/21/844807021.db2.gz KQCGLKGOBTYTAI-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718927 844807025 /nfs/dbraw/zinc/80/70/25/844807025.db2.gz KQCGLKGOBTYTAI-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718927 844807029 /nfs/dbraw/zinc/80/70/29/844807029.db2.gz KQCGLKGOBTYTAI-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721436 844807618 /nfs/dbraw/zinc/80/76/18/844807618.db2.gz SHVHPISZWYTZEG-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721436 844807621 /nfs/dbraw/zinc/80/76/21/844807621.db2.gz SHVHPISZWYTZEG-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721436 844807624 /nfs/dbraw/zinc/80/76/24/844807624.db2.gz SHVHPISZWYTZEG-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721372 844807648 /nfs/dbraw/zinc/80/76/48/844807648.db2.gz PQKJJLIGTKLCOW-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721372 844807651 /nfs/dbraw/zinc/80/76/51/844807651.db2.gz PQKJJLIGTKLCOW-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721372 844807654 /nfs/dbraw/zinc/80/76/54/844807654.db2.gz PQKJJLIGTKLCOW-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104000104 844852176 /nfs/dbraw/zinc/85/21/76/844852176.db2.gz VRPGMEHMWPOHEH-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587576 844923108 /nfs/dbraw/zinc/92/31/08/844923108.db2.gz BCWVDKTYLWUGMT-ICUGJSFKSA-N 2 1 355.523 0.798 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001104682178 844932448 /nfs/dbraw/zinc/93/24/48/844932448.db2.gz FHIWRCWYIKSDBN-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104874202 844953871 /nfs/dbraw/zinc/95/38/71/844953871.db2.gz OXILYDRQVUQVEL-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104908279 844958821 /nfs/dbraw/zinc/95/88/21/844958821.db2.gz PRXUZLPJYGAWRG-ZIAGYGMSSA-N 2 1 355.508 0.691 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104932978 844960889 /nfs/dbraw/zinc/96/08/89/844960889.db2.gz YOLNODZEDLVNOE-HUUCEWRRSA-N 2 1 351.499 0.516 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007656 844968078 /nfs/dbraw/zinc/96/80/78/844968078.db2.gz DBQQCGWQVSMYSN-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675493 845016813 /nfs/dbraw/zinc/01/68/13/845016813.db2.gz PSSAYDLYDNYXRB-FPAYPSAMSA-N 2 1 355.523 0.939 20 0 FCADMP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C)C1CC1 ZINC001105944871 845063229 /nfs/dbraw/zinc/06/32/29/845063229.db2.gz BXBNTFYFLALWBC-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)CC[N@H+]1C ZINC001106150716 845114899 /nfs/dbraw/zinc/11/48/99/845114899.db2.gz BPRYATWCZVSLKS-TXCZRRACSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106255681 845144327 /nfs/dbraw/zinc/14/43/27/845144327.db2.gz DVDMTDWMYDLDKB-RBSFLKMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106665061 845218485 /nfs/dbraw/zinc/21/84/85/845218485.db2.gz GENALIOCMJKOJB-BFYDXBDKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)C1 ZINC001106665997 845218706 /nfs/dbraw/zinc/21/87/06/845218706.db2.gz DNMMWAGQGZMMFT-ARFHVFGLSA-N 2 1 351.495 0.038 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666854 845220021 /nfs/dbraw/zinc/22/00/21/845220021.db2.gz XELHPKSIEUIFSN-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)n1C ZINC001106840398 845265953 /nfs/dbraw/zinc/26/59/53/845265953.db2.gz KYGBCGWDUBCOFL-HUUCEWRRSA-N 2 1 350.511 0.903 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874650 845276011 /nfs/dbraw/zinc/27/60/11/845276011.db2.gz OKZMNUXOTWWYPJ-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106910896 845283998 /nfs/dbraw/zinc/28/39/98/845283998.db2.gz UPIKDIOFNHFEJK-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106981542 845299951 /nfs/dbraw/zinc/29/99/51/845299951.db2.gz TWVQKHRIXVOHGQ-MGPQQGTHSA-N 2 1 365.503 0.717 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001107038940 845316643 /nfs/dbraw/zinc/31/66/43/845316643.db2.gz HNVNDPNWWRLKTJ-NVXWUHKLSA-N 2 1 352.523 0.879 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCS(C)(=O)=O)CC2 ZINC001107329062 845352034 /nfs/dbraw/zinc/35/20/34/845352034.db2.gz GVFGYEHWDSSKMW-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCS(C)(=O)=O)CC2 ZINC001107329062 845352043 /nfs/dbraw/zinc/35/20/43/845352043.db2.gz GVFGYEHWDSSKMW-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCS(C)(=O)=O)CC2 ZINC001107329062 845352053 /nfs/dbraw/zinc/35/20/53/845352053.db2.gz GVFGYEHWDSSKMW-JFIYKMOQSA-N 2 1 371.547 0.876 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107500697 845384896 /nfs/dbraw/zinc/38/48/96/845384896.db2.gz OLNLKTAYNGJGNT-IMBTUZDBSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107500697 845384907 /nfs/dbraw/zinc/38/49/07/845384907.db2.gz OLNLKTAYNGJGNT-IMBTUZDBSA-N 2 1 353.507 0.839 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107500697 845384914 /nfs/dbraw/zinc/38/49/14/845384914.db2.gz OLNLKTAYNGJGNT-IMBTUZDBSA-N 2 1 353.507 0.839 20 0 FCADMP CN(C)C(=O)CCN1CCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756228 861581349 /nfs/dbraw/zinc/58/13/49/861581349.db2.gz KSGRGICFJKIVGJ-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294229 845617023 /nfs/dbraw/zinc/61/70/23/845617023.db2.gz OBPNYAMRDCCUGG-OWSLCNJRSA-N 2 1 351.491 0.713 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001109733617 845724374 /nfs/dbraw/zinc/72/43/74/845724374.db2.gz YPFQCAKIQFDUNH-UGUYLWEFSA-N 2 1 374.551 0.378 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNS(=O)(=O)CC)[NH+](C)C ZINC001109733617 845724379 /nfs/dbraw/zinc/72/43/79/845724379.db2.gz YPFQCAKIQFDUNH-UGUYLWEFSA-N 2 1 374.551 0.378 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773325 845731532 /nfs/dbraw/zinc/73/15/32/845731532.db2.gz PUHMGIWKOAIHCN-UGUYLWEFSA-N 2 1 350.463 0.735 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773325 845731537 /nfs/dbraw/zinc/73/15/37/845731537.db2.gz PUHMGIWKOAIHCN-UGUYLWEFSA-N 2 1 350.463 0.735 20 0 FCADMP C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCCCC1 ZINC001109797039 845736401 /nfs/dbraw/zinc/73/64/01/845736401.db2.gz QMVUFDOVQHDFAI-BDXSIMOUSA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001110161466 845809210 /nfs/dbraw/zinc/80/92/10/845809210.db2.gz GQNGUYKNJFSUKP-OWSLCNJRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001110695026 845948939 /nfs/dbraw/zinc/94/89/39/845948939.db2.gz XZOWNRXBUXALHE-CBZIJGRNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001110695026 845948942 /nfs/dbraw/zinc/94/89/42/845948942.db2.gz XZOWNRXBUXALHE-CBZIJGRNSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001110711818 845954265 /nfs/dbraw/zinc/95/42/65/845954265.db2.gz QQUCJQUKRHIBOX-FPCVCCKLSA-N 2 1 374.551 0.330 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001110711818 845954269 /nfs/dbraw/zinc/95/42/69/845954269.db2.gz QQUCJQUKRHIBOX-FPCVCCKLSA-N 2 1 374.551 0.330 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819797 861631578 /nfs/dbraw/zinc/63/15/78/861631578.db2.gz WKTPOKIRTXVVFI-RDTXWAMCSA-N 2 1 355.479 0.175 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961011 846001720 /nfs/dbraw/zinc/00/17/20/846001720.db2.gz OMWCHZSJMOJILG-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001110962519 846001739 /nfs/dbraw/zinc/00/17/39/846001739.db2.gz UKLARLGVSLMWOP-JJXSEGSLSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001110962519 846001748 /nfs/dbraw/zinc/00/17/48/846001748.db2.gz UKLARLGVSLMWOP-JJXSEGSLSA-N 2 1 359.536 0.730 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110961845 846002556 /nfs/dbraw/zinc/00/25/56/846002556.db2.gz HSYOFNNXSPSMHO-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001110978941 846007521 /nfs/dbraw/zinc/00/75/21/846007521.db2.gz JIFGCZJTLWIITO-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001110978941 846007522 /nfs/dbraw/zinc/00/75/22/846007522.db2.gz JIFGCZJTLWIITO-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001110991919 846008964 /nfs/dbraw/zinc/00/89/64/846008964.db2.gz GKWKKHMMJPJRON-XLMAVXFVSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1)[NH+](C)C ZINC001110991919 846008970 /nfs/dbraw/zinc/00/89/70/846008970.db2.gz GKWKKHMMJPJRON-XLMAVXFVSA-N 2 1 350.507 0.915 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001111230140 846064202 /nfs/dbraw/zinc/06/42/02/846064202.db2.gz HLNVPLQGNOPJFI-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111230140 846064208 /nfs/dbraw/zinc/06/42/08/846064208.db2.gz HLNVPLQGNOPJFI-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111230140 846064214 /nfs/dbraw/zinc/06/42/14/846064214.db2.gz HLNVPLQGNOPJFI-KFWWJZLASA-N 2 1 350.463 0.199 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001111228868 846064376 /nfs/dbraw/zinc/06/43/76/846064376.db2.gz QUTGCIZWDQCMIA-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001111228868 846064382 /nfs/dbraw/zinc/06/43/82/846064382.db2.gz QUTGCIZWDQCMIA-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001111228868 846064386 /nfs/dbraw/zinc/06/43/86/846064386.db2.gz QUTGCIZWDQCMIA-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001111228868 846064390 /nfs/dbraw/zinc/06/43/90/846064390.db2.gz QUTGCIZWDQCMIA-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001111233329 846067005 /nfs/dbraw/zinc/06/70/05/846067005.db2.gz MOCZCRTVWJELKF-OAGGEKHMSA-N 2 1 372.535 0.085 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001111233329 846067010 /nfs/dbraw/zinc/06/70/10/846067010.db2.gz MOCZCRTVWJELKF-OAGGEKHMSA-N 2 1 372.535 0.085 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001111233329 846067017 /nfs/dbraw/zinc/06/70/17/846067017.db2.gz MOCZCRTVWJELKF-OAGGEKHMSA-N 2 1 372.535 0.085 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001111233329 846067020 /nfs/dbraw/zinc/06/70/20/846067020.db2.gz MOCZCRTVWJELKF-OAGGEKHMSA-N 2 1 372.535 0.085 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cc(Cl)cn1 ZINC001111279916 846077308 /nfs/dbraw/zinc/07/73/08/846077308.db2.gz LMMZGQKUZSHOFS-OAGGEKHMSA-N 2 1 369.897 0.836 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cc(Cl)cn1 ZINC001111279916 846077314 /nfs/dbraw/zinc/07/73/14/846077314.db2.gz LMMZGQKUZSHOFS-OAGGEKHMSA-N 2 1 369.897 0.836 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778966 846201755 /nfs/dbraw/zinc/20/17/55/846201755.db2.gz QMSOFXGXQYAJCI-KXBFYZLASA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778966 846201766 /nfs/dbraw/zinc/20/17/66/846201766.db2.gz QMSOFXGXQYAJCI-KXBFYZLASA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778966 846201778 /nfs/dbraw/zinc/20/17/78/846201778.db2.gz QMSOFXGXQYAJCI-KXBFYZLASA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778966 846201790 /nfs/dbraw/zinc/20/17/90/846201790.db2.gz QMSOFXGXQYAJCI-KXBFYZLASA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851966 846232083 /nfs/dbraw/zinc/23/20/83/846232083.db2.gz WSYRFBFNHNDCIS-FPXQBCRKSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851966 846232093 /nfs/dbraw/zinc/23/20/93/846232093.db2.gz WSYRFBFNHNDCIS-FPXQBCRKSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851966 846232104 /nfs/dbraw/zinc/23/21/04/846232104.db2.gz WSYRFBFNHNDCIS-FPXQBCRKSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870648 846239795 /nfs/dbraw/zinc/23/97/95/846239795.db2.gz HSAOYXATYANWMZ-GJYPPUQNSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870648 846239798 /nfs/dbraw/zinc/23/97/98/846239798.db2.gz HSAOYXATYANWMZ-GJYPPUQNSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870648 846239805 /nfs/dbraw/zinc/23/98/05/846239805.db2.gz HSAOYXATYANWMZ-GJYPPUQNSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001111927539 846263866 /nfs/dbraw/zinc/26/38/66/846263866.db2.gz BBKOEJIKPHIHEP-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001111927539 846263878 /nfs/dbraw/zinc/26/38/78/846263878.db2.gz BBKOEJIKPHIHEP-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001111927539 846263881 /nfs/dbraw/zinc/26/38/81/846263881.db2.gz BBKOEJIKPHIHEP-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111926958 846263968 /nfs/dbraw/zinc/26/39/68/846263968.db2.gz REBXIOHFDQWONR-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111926958 846263978 /nfs/dbraw/zinc/26/39/78/846263978.db2.gz REBXIOHFDQWONR-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111926958 846263987 /nfs/dbraw/zinc/26/39/87/846263987.db2.gz REBXIOHFDQWONR-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111938229 846267638 /nfs/dbraw/zinc/26/76/38/846267638.db2.gz RNEADWMVDBRIAF-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111938229 846267652 /nfs/dbraw/zinc/26/76/52/846267652.db2.gz RNEADWMVDBRIAF-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111938229 846267665 /nfs/dbraw/zinc/26/76/65/846267665.db2.gz RNEADWMVDBRIAF-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939531 846270501 /nfs/dbraw/zinc/27/05/01/846270501.db2.gz FROPNHNDGHEWTR-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111939531 846270509 /nfs/dbraw/zinc/27/05/09/846270509.db2.gz FROPNHNDGHEWTR-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111939531 846270521 /nfs/dbraw/zinc/27/05/21/846270521.db2.gz FROPNHNDGHEWTR-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)N(C)C1CC1)C2 ZINC001111949456 846272646 /nfs/dbraw/zinc/27/26/46/846272646.db2.gz FVAUZPPZQPRUEJ-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001111949456 846272659 /nfs/dbraw/zinc/27/26/59/846272659.db2.gz FVAUZPPZQPRUEJ-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001111949456 846272675 /nfs/dbraw/zinc/27/26/75/846272675.db2.gz FVAUZPPZQPRUEJ-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111952595 846274981 /nfs/dbraw/zinc/27/49/81/846274981.db2.gz QAJMLPRBDIYICN-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111952595 846274990 /nfs/dbraw/zinc/27/49/90/846274990.db2.gz QAJMLPRBDIYICN-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111952595 846274996 /nfs/dbraw/zinc/27/49/96/846274996.db2.gz QAJMLPRBDIYICN-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001112009866 846294308 /nfs/dbraw/zinc/29/43/08/846294308.db2.gz XSAZIBRRTOTXDA-RDJZCZTQSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001112009866 846294315 /nfs/dbraw/zinc/29/43/15/846294315.db2.gz XSAZIBRRTOTXDA-RDJZCZTQSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001112009866 846294320 /nfs/dbraw/zinc/29/43/20/846294320.db2.gz XSAZIBRRTOTXDA-RDJZCZTQSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001112009866 846294328 /nfs/dbraw/zinc/29/43/28/846294328.db2.gz XSAZIBRRTOTXDA-RDJZCZTQSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001112007953 846295497 /nfs/dbraw/zinc/29/54/97/846295497.db2.gz LXGJLQLZRZZUHR-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001112007953 846295508 /nfs/dbraw/zinc/29/55/08/846295508.db2.gz LXGJLQLZRZZUHR-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001112007953 846295521 /nfs/dbraw/zinc/29/55/21/846295521.db2.gz LXGJLQLZRZZUHR-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001112007953 846295531 /nfs/dbraw/zinc/29/55/31/846295531.db2.gz LXGJLQLZRZZUHR-LPHOPBHVSA-N 2 1 350.507 0.824 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114301 846394562 /nfs/dbraw/zinc/39/45/62/846394562.db2.gz JWRUTNODWQIRDG-YRGRVCCFSA-N 2 1 364.412 0.442 20 0 FCADMP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C(F)(F)F)C1=O ZINC001112156057 846423460 /nfs/dbraw/zinc/42/34/60/846423460.db2.gz WZOUXIMGTARBDJ-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112166164 846429635 /nfs/dbraw/zinc/42/96/35/846429635.db2.gz HUQJMMCJJMTFQD-MGPQQGTHSA-N 2 1 367.412 0.459 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112182056 846442115 /nfs/dbraw/zinc/44/21/15/846442115.db2.gz LYDWBXWXNQXZCE-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112190200 846449436 /nfs/dbraw/zinc/44/94/36/846449436.db2.gz PGYWIKZUBQLAIR-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112190200 846449443 /nfs/dbraw/zinc/44/94/43/846449443.db2.gz PGYWIKZUBQLAIR-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112189941 846449517 /nfs/dbraw/zinc/44/95/17/846449517.db2.gz DLMUAJTXIKIIAL-CHWSQXEVSA-N 2 1 362.400 0.636 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112189941 846449521 /nfs/dbraw/zinc/44/95/21/846449521.db2.gz DLMUAJTXIKIIAL-CHWSQXEVSA-N 2 1 362.400 0.636 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112198233 846457021 /nfs/dbraw/zinc/45/70/21/846457021.db2.gz JMVBULKYCZYPRQ-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112198233 846457022 /nfs/dbraw/zinc/45/70/22/846457022.db2.gz JMVBULKYCZYPRQ-FRRDWIJNSA-N 2 1 364.412 0.538 20 0 FCADMP O=C(C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F)NC1CC1 ZINC001112206468 846462199 /nfs/dbraw/zinc/46/21/99/846462199.db2.gz QRIQRKCWJIKFDB-CHWSQXEVSA-N 2 1 362.396 0.340 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206471 846462269 /nfs/dbraw/zinc/46/22/69/846462269.db2.gz QTXGRAHYBHFZKK-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206471 846462274 /nfs/dbraw/zinc/46/22/74/846462274.db2.gz QTXGRAHYBHFZKK-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206085 846462577 /nfs/dbraw/zinc/46/25/77/846462577.db2.gz HBDVSRJQGJVFHN-JHJVBQTASA-N 2 1 364.412 0.442 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206085 846462583 /nfs/dbraw/zinc/46/25/83/846462583.db2.gz HBDVSRJQGJVFHN-JHJVBQTASA-N 2 1 364.412 0.442 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206524 846463004 /nfs/dbraw/zinc/46/30/04/846463004.db2.gz SNHVKKMACHBNFT-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206524 846463009 /nfs/dbraw/zinc/46/30/09/846463009.db2.gz SNHVKKMACHBNFT-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112209000 846466570 /nfs/dbraw/zinc/46/65/70/846466570.db2.gz UHTFOWIGJCXAAW-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112209000 846466576 /nfs/dbraw/zinc/46/65/76/846466576.db2.gz UHTFOWIGJCXAAW-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112210993 846467505 /nfs/dbraw/zinc/46/75/05/846467505.db2.gz QUISKXJBOZMPGB-YNEHKIRRSA-N 2 1 364.412 0.715 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212225 846470214 /nfs/dbraw/zinc/47/02/14/846470214.db2.gz TXAFJNVSGHASAK-CHWSQXEVSA-N 2 1 366.428 0.830 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212225 846470219 /nfs/dbraw/zinc/47/02/19/846470219.db2.gz TXAFJNVSGHASAK-CHWSQXEVSA-N 2 1 366.428 0.830 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112470036 846507742 /nfs/dbraw/zinc/50/77/42/846507742.db2.gz ANPCVYLQNZQBGC-WMZOPIPTSA-N 2 1 350.463 0.419 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)C1 ZINC001112516624 846512756 /nfs/dbraw/zinc/51/27/56/846512756.db2.gz SXASJERXAMQTIE-LNLFQRSKSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)C1 ZINC001112516624 846512761 /nfs/dbraw/zinc/51/27/61/846512761.db2.gz SXASJERXAMQTIE-LNLFQRSKSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112567493 846526035 /nfs/dbraw/zinc/52/60/35/846526035.db2.gz RSJJIZVZCLJELD-SCTDSRPQSA-N 2 1 355.523 0.944 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112567327 846526499 /nfs/dbraw/zinc/52/64/99/846526499.db2.gz IVMVVINRBNFESA-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001112579108 846529094 /nfs/dbraw/zinc/52/90/94/846529094.db2.gz WVWUESLYYVUWSF-BQFCYCMXSA-N 2 1 371.547 0.591 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112586406 846532277 /nfs/dbraw/zinc/53/22/77/846532277.db2.gz XZUCIRILXKHDIF-BXWFABGCSA-N 2 1 350.507 0.825 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112586429 846532327 /nfs/dbraw/zinc/53/23/27/846532327.db2.gz YSIRJQOTTREJOM-RDJZCZTQSA-N 2 1 359.536 0.590 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)n1C ZINC001117292089 846942411 /nfs/dbraw/zinc/94/24/11/846942411.db2.gz AFGVGFYDCIFDHK-KGLIPLIRSA-N 2 1 350.467 0.091 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3nncs3)CC2)CC[N@@H+]1C ZINC001277060903 861747836 /nfs/dbraw/zinc/74/78/36/861747836.db2.gz VEFRMXNFZXSGKR-GHMZBOCLSA-N 2 1 352.464 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)Nc3nncs3)CC2)CC[N@H+]1C ZINC001277060903 861747844 /nfs/dbraw/zinc/74/78/44/861747844.db2.gz VEFRMXNFZXSGKR-GHMZBOCLSA-N 2 1 352.464 0.055 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC001117746008 847164148 /nfs/dbraw/zinc/16/41/48/847164148.db2.gz OJTMVQMLJZIZSS-INIZCTEOSA-N 2 1 350.467 0.008 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)CC1 ZINC001117746008 847164155 /nfs/dbraw/zinc/16/41/55/847164155.db2.gz OJTMVQMLJZIZSS-INIZCTEOSA-N 2 1 350.467 0.008 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119481896 847857968 /nfs/dbraw/zinc/85/79/68/847857968.db2.gz ANTHDSHZLSPMFR-GVDBMIGSSA-N 2 1 353.511 0.162 20 0 FCADMP CCCN(CC[NH+]1CCCC1)c1nnnn1CCC[NH+]1CCOCC1 ZINC001119646697 847922648 /nfs/dbraw/zinc/92/26/48/847922648.db2.gz BKQLTNQWKJXKSR-UHFFFAOYSA-N 2 1 351.499 0.708 20 0 FCADMP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001120502850 848223990 /nfs/dbraw/zinc/22/39/90/848223990.db2.gz GEGXAMAWLKQJFH-YJBOKZPZSA-N 2 1 352.431 0.259 20 0 FCADMP C[C@H]([C@H](C)NC(=O)NCCCCC[NH+]1CCNCC1)N1CCOCC1 ZINC001120596705 848249757 /nfs/dbraw/zinc/24/97/57/848249757.db2.gz JCRLRFBXNQRLLQ-DLBZAZTESA-N 2 1 355.527 0.470 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001122055146 848442232 /nfs/dbraw/zinc/44/22/32/848442232.db2.gz GROBAFDWQLTHDW-TUVASFSCSA-N 2 1 357.520 0.246 20 0 FCADMP O=C(CN1CCC(CO)CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122236730 848473348 /nfs/dbraw/zinc/47/33/48/848473348.db2.gz ZKABIMRHJSTDLO-HDICACEKSA-N 2 1 350.507 0.118 20 0 FCADMP CC[NH+]1CC[C@@H](CNC(=O)/C(C)=C/C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC001123506154 848598890 /nfs/dbraw/zinc/59/88/90/848598890.db2.gz VSFFZTKGAKNNQP-GUJBPHSMSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(\C)C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC001123506154 848598892 /nfs/dbraw/zinc/59/88/92/848598892.db2.gz VSFFZTKGAKNNQP-GUJBPHSMSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)/C=C(\C)C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001123506154 848598897 /nfs/dbraw/zinc/59/88/97/848598897.db2.gz VSFFZTKGAKNNQP-GUJBPHSMSA-N 2 1 350.507 0.849 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CC[NH+](C)CC1 ZINC001123790437 848637748 /nfs/dbraw/zinc/63/77/48/848637748.db2.gz ZECQLJXZNUKZTI-AEFFLSMTSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2c(Br)cnn2C)CC[N@@H+]1C ZINC001127643850 848730004 /nfs/dbraw/zinc/73/00/04/848730004.db2.gz NWWOEWPNMFVWAQ-GHMZBOCLSA-N 2 1 358.284 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2c(Br)cnn2C)CC[N@H+]1C ZINC001127643850 848730009 /nfs/dbraw/zinc/73/00/09/848730009.db2.gz NWWOEWPNMFVWAQ-GHMZBOCLSA-N 2 1 358.284 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2c(C)n[nH]c2C)CC[N@H+]1C ZINC001127705382 848733090 /nfs/dbraw/zinc/73/30/90/848733090.db2.gz BXFPUGQLQIVNME-UONOGXRCSA-N 2 1 350.467 0.401 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128829153 848777120 /nfs/dbraw/zinc/77/71/20/848777120.db2.gz CGNCHGGIFVYXFE-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128829153 848777127 /nfs/dbraw/zinc/77/71/27/848777127.db2.gz CGNCHGGIFVYXFE-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128829153 848777132 /nfs/dbraw/zinc/77/71/32/848777132.db2.gz CGNCHGGIFVYXFE-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128829153 848777137 /nfs/dbraw/zinc/77/71/37/848777137.db2.gz CGNCHGGIFVYXFE-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460808 848847724 /nfs/dbraw/zinc/84/77/24/848847724.db2.gz OQJMWJFBSZOXOS-XHSDSOJGSA-N 2 1 352.483 0.385 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460808 848847728 /nfs/dbraw/zinc/84/77/28/848847728.db2.gz OQJMWJFBSZOXOS-XHSDSOJGSA-N 2 1 352.483 0.385 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1)OC ZINC001129460808 848847733 /nfs/dbraw/zinc/84/77/33/848847733.db2.gz OQJMWJFBSZOXOS-XHSDSOJGSA-N 2 1 352.483 0.385 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129910049 848913525 /nfs/dbraw/zinc/91/35/25/848913525.db2.gz ACADGROWBSBHQJ-UUFAANBYSA-N 2 1 352.870 0.856 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)O1 ZINC001130182471 848959778 /nfs/dbraw/zinc/95/97/78/848959778.db2.gz JODDMZKOLSPRKQ-CZUORRHYSA-N 2 1 369.487 0.015 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)O1 ZINC001130182471 848959782 /nfs/dbraw/zinc/95/97/82/848959782.db2.gz JODDMZKOLSPRKQ-CZUORRHYSA-N 2 1 369.487 0.015 20 0 FCADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1cccs1 ZINC001130184410 848963720 /nfs/dbraw/zinc/96/37/20/848963720.db2.gz PBIJTQKMVKBERT-HZSPNIEDSA-N 2 1 368.503 0.350 20 0 FCADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1cccs1 ZINC001130184410 848963726 /nfs/dbraw/zinc/96/37/26/848963726.db2.gz PBIJTQKMVKBERT-HZSPNIEDSA-N 2 1 368.503 0.350 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC1 ZINC001130184524 848963760 /nfs/dbraw/zinc/96/37/60/848963760.db2.gz UJQATVXZIJKTHN-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC1 ZINC001130184524 848963766 /nfs/dbraw/zinc/96/37/66/848963766.db2.gz UJQATVXZIJKTHN-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001130251482 848989882 /nfs/dbraw/zinc/98/98/82/848989882.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 2 1 352.483 0.632 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251482 848989891 /nfs/dbraw/zinc/98/98/91/848989891.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 2 1 352.483 0.632 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251482 848989897 /nfs/dbraw/zinc/98/98/97/848989897.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 2 1 352.483 0.632 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130307645 848998798 /nfs/dbraw/zinc/99/87/98/848998798.db2.gz WUAVPKZBUBSWOF-QAPCUYQASA-N 2 1 356.486 0.772 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130815873 849048683 /nfs/dbraw/zinc/04/86/83/849048683.db2.gz DHKJABQQMZAFDO-MELADBBJSA-N 2 1 350.467 0.592 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130815873 849048686 /nfs/dbraw/zinc/04/86/86/849048686.db2.gz DHKJABQQMZAFDO-MELADBBJSA-N 2 1 350.467 0.592 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130815873 849048689 /nfs/dbraw/zinc/04/86/89/849048689.db2.gz DHKJABQQMZAFDO-MELADBBJSA-N 2 1 350.467 0.592 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cscn1 ZINC001131068245 849076831 /nfs/dbraw/zinc/07/68/31/849076831.db2.gz VMSJJBYGMLQEFX-HUUCEWRRSA-N 2 1 362.503 0.913 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131562501 849123138 /nfs/dbraw/zinc/12/31/38/849123138.db2.gz VVJONBOLSCEWTF-SUMDDJOVSA-N 2 1 353.507 0.839 20 0 FCADMP CC[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001277712088 862021987 /nfs/dbraw/zinc/02/19/87/862021987.db2.gz HIAVDPHXPQXRKM-IEBWSBKVSA-N 2 1 352.523 0.462 20 0 FCADMP CC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001277712566 862024471 /nfs/dbraw/zinc/02/44/71/862024471.db2.gz JUCLRNRADIYHMY-IEBWSBKVSA-N 2 1 352.523 0.319 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)CN(C)C(N)=[NH2+])c1ccc(Cl)cc1 ZINC001144149000 849510503 /nfs/dbraw/zinc/51/05/03/849510503.db2.gz AHNJTKICASTRAT-CQSZACIVSA-N 2 1 355.870 0.901 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582896 849585013 /nfs/dbraw/zinc/58/50/13/849585013.db2.gz IHVWDRKAGFBDEA-HZPDHXFCSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582896 849585017 /nfs/dbraw/zinc/58/50/17/849585017.db2.gz IHVWDRKAGFBDEA-HZPDHXFCSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582896 849585021 /nfs/dbraw/zinc/58/50/21/849585021.db2.gz IHVWDRKAGFBDEA-HZPDHXFCSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582896 849585025 /nfs/dbraw/zinc/58/50/25/849585025.db2.gz IHVWDRKAGFBDEA-HZPDHXFCSA-N 2 1 350.507 0.633 20 0 FCADMP CCCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582735 849585357 /nfs/dbraw/zinc/58/53/57/849585357.db2.gz DQXXDWZLDBFDNB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582735 849585369 /nfs/dbraw/zinc/58/53/69/849585369.db2.gz DQXXDWZLDBFDNB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582735 849585375 /nfs/dbraw/zinc/58/53/75/849585375.db2.gz DQXXDWZLDBFDNB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582735 849585384 /nfs/dbraw/zinc/58/53/84/849585384.db2.gz DQXXDWZLDBFDNB-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)CCN(C(=O)CCc1ncc[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC001151275372 849682643 /nfs/dbraw/zinc/68/26/43/849682643.db2.gz WOFGUIGUEQHKAF-CQSZACIVSA-N 2 1 356.492 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1C1CCCC1 ZINC001154888757 849818851 /nfs/dbraw/zinc/81/88/51/849818851.db2.gz GMRPOCJXUNAOOO-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nnc2ccc(Br)cn21 ZINC001155687532 849871429 /nfs/dbraw/zinc/87/14/29/849871429.db2.gz SDRLFTNPMHWZLX-UHFFFAOYSA-N 2 1 354.212 0.566 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591050 849915864 /nfs/dbraw/zinc/91/58/64/849915864.db2.gz SAWVTHHCLYIYJC-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@H+](C)CC2(C)C)CC1=O ZINC001156591050 849915872 /nfs/dbraw/zinc/91/58/72/849915872.db2.gz SAWVTHHCLYIYJC-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)CC1=O ZINC001156591050 849915878 /nfs/dbraw/zinc/91/58/78/849915878.db2.gz SAWVTHHCLYIYJC-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[NH+](C)CC2(C)C)CC1=O ZINC001156591048 849916211 /nfs/dbraw/zinc/91/62/11/849916211.db2.gz SAWVTHHCLYIYJC-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)CC1=O ZINC001156591048 849916220 /nfs/dbraw/zinc/91/62/20/849916220.db2.gz SAWVTHHCLYIYJC-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)CC1=O ZINC001156591048 849916226 /nfs/dbraw/zinc/91/62/26/849916226.db2.gz SAWVTHHCLYIYJC-ARFHVFGLSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157593825 849983356 /nfs/dbraw/zinc/98/33/56/849983356.db2.gz YRMRDOCVWVYGRL-GOSISDBHSA-N 3 1 351.539 0.461 20 0 FCADMP [NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC001158092154 850018258 /nfs/dbraw/zinc/01/82/58/850018258.db2.gz LCPJWYARPPUXIU-ZFWWWQNUSA-N 2 1 367.247 0.139 20 0 FCADMP COC[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124140 850020051 /nfs/dbraw/zinc/02/00/51/850020051.db2.gz IUSIEMZSYINMDA-QBPKDAKJSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124140 850020057 /nfs/dbraw/zinc/02/00/57/850020057.db2.gz IUSIEMZSYINMDA-QBPKDAKJSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124140 850020060 /nfs/dbraw/zinc/02/00/60/850020060.db2.gz IUSIEMZSYINMDA-QBPKDAKJSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@H](O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124140 850020067 /nfs/dbraw/zinc/02/00/67/850020067.db2.gz IUSIEMZSYINMDA-QBPKDAKJSA-N 2 1 357.495 0.026 20 0 FCADMP COC[C@H](O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124140 850020072 /nfs/dbraw/zinc/02/00/72/850020072.db2.gz IUSIEMZSYINMDA-QBPKDAKJSA-N 2 1 357.495 0.026 20 0 FCADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158339240 850038442 /nfs/dbraw/zinc/03/84/42/850038442.db2.gz MJRKSNJRWLCGSK-ZDUSSCGKSA-N 2 1 366.487 0.060 20 0 FCADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001158384912 850044914 /nfs/dbraw/zinc/04/49/14/850044914.db2.gz TYJDCHVJKVSJCC-GJZGRUSLSA-N 2 1 365.396 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001158403355 850046731 /nfs/dbraw/zinc/04/67/31/850046731.db2.gz GIMQNRKGMLTXIO-JKSUJKDBSA-N 2 1 359.536 0.637 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001158404073 850047904 /nfs/dbraw/zinc/04/79/04/850047904.db2.gz PKTFUAMIAHTNCC-HRCADAONSA-N 2 1 354.495 0.108 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1[NH2+]CCS1)C2 ZINC001158468249 850054599 /nfs/dbraw/zinc/05/45/99/850054599.db2.gz NCXLRZUEHFOXJH-PMUMKWKESA-N 2 1 367.515 0.820 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001158855204 850080935 /nfs/dbraw/zinc/08/09/35/850080935.db2.gz FZJMWZYODNDZPY-RKNYENMMSA-N 2 1 355.508 0.231 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc(N3CC[NH+](C)CC3)n2)O1 ZINC001159245906 850105377 /nfs/dbraw/zinc/10/53/77/850105377.db2.gz YCQPTNSOONMUTM-FMKPAKJESA-N 2 1 350.467 0.365 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834255 850139561 /nfs/dbraw/zinc/13/95/61/850139561.db2.gz UGXHLAUSYMSFNX-KKUMJFAQSA-N 3 1 361.515 0.375 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834255 850139568 /nfs/dbraw/zinc/13/95/68/850139568.db2.gz UGXHLAUSYMSFNX-KKUMJFAQSA-N 2 1 361.515 0.375 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834265 850139955 /nfs/dbraw/zinc/13/99/55/850139955.db2.gz UNSPJDAMNIGGQN-KFWWJZLASA-N 2 1 350.488 0.944 20 0 FCADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001160154935 850156153 /nfs/dbraw/zinc/15/61/53/850156153.db2.gz ALYRBENONSCVSK-NCOADZHNSA-N 2 1 351.491 0.854 20 0 FCADMP [NH3+]C[C@]1(Nc2ccc(S(=O)(=O)NC3CC3)cn2)C[NH+]2CCC1CC2 ZINC001160521299 850179565 /nfs/dbraw/zinc/17/95/65/850179565.db2.gz YDTXYQDDDNOFII-INIZCTEOSA-N 2 1 351.476 0.357 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160837539 850201957 /nfs/dbraw/zinc/20/19/57/850201957.db2.gz AZHSTVHMGUHIEC-LBPRGKRZSA-N 2 1 354.405 0.708 20 0 FCADMP COc1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)n1 ZINC001160862443 850208899 /nfs/dbraw/zinc/20/88/99/850208899.db2.gz PSJWQANSXLPWQM-IUODEOHRSA-N 2 1 351.451 0.109 20 0 FCADMP COc1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)n1 ZINC001160862443 850208912 /nfs/dbraw/zinc/20/89/12/850208912.db2.gz PSJWQANSXLPWQM-IUODEOHRSA-N 2 1 351.451 0.109 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc3c2CCCC3)O1 ZINC001160862806 850210205 /nfs/dbraw/zinc/21/02/05/850210205.db2.gz VWQOEAGOEWPYSI-CXAGYDPISA-N 2 1 350.463 0.868 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc3c2CCCC3)O1 ZINC001160862806 850210216 /nfs/dbraw/zinc/21/02/16/850210216.db2.gz VWQOEAGOEWPYSI-CXAGYDPISA-N 2 1 350.463 0.868 20 0 FCADMP [NH3+]C1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CCCC1 ZINC001161196996 850238824 /nfs/dbraw/zinc/23/88/24/850238824.db2.gz WABOHGCJGNWNAU-UHFFFAOYSA-N 3 1 352.523 0.808 20 0 FCADMP COc1ccnc(N(C(=O)[C@@H](N)CSCC[NH3+])C2CC[NH2+]CC2)c1 ZINC001161386763 850257376 /nfs/dbraw/zinc/25/73/76/850257376.db2.gz UMFLLEZMVDZOQQ-AWEZNQCLSA-N 2 1 353.492 0.194 20 0 FCADMP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424125 850258205 /nfs/dbraw/zinc/25/82/05/850258205.db2.gz ZGPILHACCUQFAB-KKUMJFAQSA-N 2 1 352.479 0.036 20 0 FCADMP CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001164582298 850417731 /nfs/dbraw/zinc/41/77/31/850417731.db2.gz GOMKDVZLNHMITQ-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(CNCc3cnsn3)CC2)O1 ZINC001165727776 850453626 /nfs/dbraw/zinc/45/36/26/850453626.db2.gz IDLZYGWLJGGKLW-TZMCWYRMSA-N 2 1 353.492 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(CNCc3cnsn3)CC2)O1 ZINC001165727776 850453631 /nfs/dbraw/zinc/45/36/31/850453631.db2.gz IDLZYGWLJGGKLW-TZMCWYRMSA-N 2 1 353.492 0.633 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CCC([NH+](C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001168330248 850582260 /nfs/dbraw/zinc/58/22/60/850582260.db2.gz NUDNLXVRNDZSDD-JCYILVPMSA-N 2 1 350.507 0.728 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)COCCN(S(C)(=O)=O)C3)C2 ZINC001169133969 850608170 /nfs/dbraw/zinc/60/81/70/850608170.db2.gz ORSXEALJYBSQSO-FVQHAEBGSA-N 2 1 371.547 0.986 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501281 850686218 /nfs/dbraw/zinc/68/62/18/850686218.db2.gz RPOSTUZFHCTQCV-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501281 850686230 /nfs/dbraw/zinc/68/62/30/850686230.db2.gz RPOSTUZFHCTQCV-ZMSDIMECSA-N 2 1 351.495 0.904 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@@H]2C1 ZINC001172224839 850708571 /nfs/dbraw/zinc/70/85/71/850708571.db2.gz DDAKWOXXTIJALP-AJYUKVHDSA-N 2 1 351.491 0.807 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@@H]2C1 ZINC001172224839 850708577 /nfs/dbraw/zinc/70/85/77/850708577.db2.gz DDAKWOXXTIJALP-AJYUKVHDSA-N 2 1 351.491 0.807 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@@H]2C1 ZINC001172224839 850708584 /nfs/dbraw/zinc/70/85/84/850708584.db2.gz DDAKWOXXTIJALP-AJYUKVHDSA-N 2 1 351.491 0.807 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@@H]2C1 ZINC001172224839 850708588 /nfs/dbraw/zinc/70/85/88/850708588.db2.gz DDAKWOXXTIJALP-AJYUKVHDSA-N 2 1 351.491 0.807 20 0 FCADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC(=O)NC)CC1 ZINC001173109549 850718182 /nfs/dbraw/zinc/71/81/82/850718182.db2.gz CVBALFQADQXROH-HIEASXQVSA-N 2 1 352.523 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)[C@@H]2C)CC[N@H+]1C ZINC001178730963 850921020 /nfs/dbraw/zinc/92/10/20/850921020.db2.gz HQSBVSWMRXNHPO-QXSJWSMHSA-N 2 1 371.547 0.730 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001178811361 850933683 /nfs/dbraw/zinc/93/36/83/850933683.db2.gz SNXUYRDQRMKUCD-BZUAXINKSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001178811361 850933692 /nfs/dbraw/zinc/93/36/92/850933692.db2.gz SNXUYRDQRMKUCD-BZUAXINKSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cnn(C)c2)O1 ZINC001178811140 850934108 /nfs/dbraw/zinc/93/41/08/850934108.db2.gz RVQHGRHFMDMBNC-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2cnn(C)c2)O1 ZINC001178811140 850934113 /nfs/dbraw/zinc/93/41/13/850934113.db2.gz RVQHGRHFMDMBNC-NVXWUHKLSA-N 2 1 351.495 0.905 20 0 FCADMP C[C@@H](C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1)[NH+](C)C ZINC001180862355 851072602 /nfs/dbraw/zinc/07/26/02/851072602.db2.gz NOQDDWFKEWRRKC-ZNMIVQPWSA-N 2 1 354.495 0.994 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576427 851253255 /nfs/dbraw/zinc/25/32/55/851253255.db2.gz LZYIRBBPHXEVKR-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP C[N@H+](CC(=O)NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815363 851271178 /nfs/dbraw/zinc/27/11/78/851271178.db2.gz OWJKGMWTHXDUIE-CQSZACIVSA-N 2 1 358.483 0.016 20 0 FCADMP C[N@@H+](CC(=O)NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815363 851271188 /nfs/dbraw/zinc/27/11/88/851271188.db2.gz OWJKGMWTHXDUIE-CQSZACIVSA-N 2 1 358.483 0.016 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001185264708 851348513 /nfs/dbraw/zinc/34/85/13/851348513.db2.gz YOTSBSVVTYXKSX-TXKKKEFDSA-N 2 1 354.495 0.330 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187971635 851633537 /nfs/dbraw/zinc/63/35/37/851633537.db2.gz UQAIYQHXVWLCDF-QKPAOTATSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001187971635 851633539 /nfs/dbraw/zinc/63/35/39/851633539.db2.gz UQAIYQHXVWLCDF-QKPAOTATSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187971635 851633542 /nfs/dbraw/zinc/63/35/42/851633542.db2.gz UQAIYQHXVWLCDF-QKPAOTATSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187971635 851633543 /nfs/dbraw/zinc/63/35/43/851633543.db2.gz UQAIYQHXVWLCDF-QKPAOTATSA-N 2 1 350.507 0.774 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246658 851661341 /nfs/dbraw/zinc/66/13/41/851661341.db2.gz NKJZIWSYCMNOFN-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246658 851661349 /nfs/dbraw/zinc/66/13/49/851661349.db2.gz NKJZIWSYCMNOFN-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246658 851661353 /nfs/dbraw/zinc/66/13/53/851661353.db2.gz NKJZIWSYCMNOFN-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246658 851661363 /nfs/dbraw/zinc/66/13/63/851661363.db2.gz NKJZIWSYCMNOFN-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932400 851735206 /nfs/dbraw/zinc/73/52/06/851735206.db2.gz XVHVMKXODJNERU-LUKYLMHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932400 851735211 /nfs/dbraw/zinc/73/52/11/851735211.db2.gz XVHVMKXODJNERU-LUKYLMHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932400 851735218 /nfs/dbraw/zinc/73/52/18/851735218.db2.gz XVHVMKXODJNERU-LUKYLMHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932400 851735222 /nfs/dbraw/zinc/73/52/22/851735222.db2.gz XVHVMKXODJNERU-LUKYLMHMSA-N 2 1 350.507 0.776 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034353 851743852 /nfs/dbraw/zinc/74/38/52/851743852.db2.gz IRGQGPXQUQYKSC-YESZJQIVSA-N 2 1 350.507 0.905 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC1 ZINC001189035459 851744399 /nfs/dbraw/zinc/74/43/99/851744399.db2.gz YYEUFOKLBBUUCX-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC1 ZINC001189035459 851744408 /nfs/dbraw/zinc/74/44/08/851744408.db2.gz YYEUFOKLBBUUCX-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001189151428 851760050 /nfs/dbraw/zinc/76/00/50/851760050.db2.gz INTBRFLKQKZXKQ-YESZJQIVSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189471620 851794070 /nfs/dbraw/zinc/79/40/70/851794070.db2.gz XGRMKKTZFHTOBM-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189471620 851794076 /nfs/dbraw/zinc/79/40/76/851794076.db2.gz XGRMKKTZFHTOBM-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801433 851825842 /nfs/dbraw/zinc/82/58/42/851825842.db2.gz GEEYRIZGCIWGRU-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801433 851825848 /nfs/dbraw/zinc/82/58/48/851825848.db2.gz GEEYRIZGCIWGRU-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)sn1 ZINC001189801471 851826309 /nfs/dbraw/zinc/82/63/09/851826309.db2.gz HDPZNTMEFOQDEG-DZGCQCFKSA-N 2 1 368.503 0.763 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)sn1 ZINC001189801471 851826315 /nfs/dbraw/zinc/82/63/15/851826315.db2.gz HDPZNTMEFOQDEG-DZGCQCFKSA-N 2 1 368.503 0.763 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906417 851840362 /nfs/dbraw/zinc/84/03/62/851840362.db2.gz GJMWSXIYZAYYGZ-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906417 851840374 /nfs/dbraw/zinc/84/03/74/851840374.db2.gz GJMWSXIYZAYYGZ-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906417 851840380 /nfs/dbraw/zinc/84/03/80/851840380.db2.gz GJMWSXIYZAYYGZ-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189906417 851840392 /nfs/dbraw/zinc/84/03/92/851840392.db2.gz GJMWSXIYZAYYGZ-YESZJQIVSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001189907043 851840643 /nfs/dbraw/zinc/84/06/43/851840643.db2.gz RALKUPUGCVYTTF-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189907043 851840646 /nfs/dbraw/zinc/84/06/46/851840646.db2.gz RALKUPUGCVYTTF-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001189907043 851840655 /nfs/dbraw/zinc/84/06/55/851840655.db2.gz RALKUPUGCVYTTF-DLBZAZTESA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278395742 862313773 /nfs/dbraw/zinc/31/37/73/862313773.db2.gz DEVHJIJCXKPSOV-PMPSAXMXSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278395737 862313851 /nfs/dbraw/zinc/31/38/51/862313851.db2.gz DEVHJIJCXKPSOV-ARFHVFGLSA-N 2 1 350.507 0.633 20 0 FCADMP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977732 852328392 /nfs/dbraw/zinc/32/83/92/852328392.db2.gz KDNQDFOARNORNE-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192977732 852328397 /nfs/dbraw/zinc/32/83/97/852328397.db2.gz KDNQDFOARNORNE-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192977732 852328405 /nfs/dbraw/zinc/32/84/05/852328405.db2.gz KDNQDFOARNORNE-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001193455969 852429941 /nfs/dbraw/zinc/42/99/41/852429941.db2.gz JEYRSRBKOVRPLB-RBSFLKMASA-N 2 1 358.483 0.527 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001193455969 852429950 /nfs/dbraw/zinc/42/99/50/852429950.db2.gz JEYRSRBKOVRPLB-RBSFLKMASA-N 2 1 358.483 0.527 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792149 852489395 /nfs/dbraw/zinc/48/93/95/852489395.db2.gz YXHVZWZFKVNBDW-FMKPAKJESA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792149 852489397 /nfs/dbraw/zinc/48/93/97/852489397.db2.gz YXHVZWZFKVNBDW-FMKPAKJESA-N 2 1 352.504 0.496 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997491 852690100 /nfs/dbraw/zinc/69/01/00/852690100.db2.gz RPUJUTBVNFDUOO-KBAYOESNSA-N 2 1 355.523 0.963 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997491 852690105 /nfs/dbraw/zinc/69/01/05/852690105.db2.gz RPUJUTBVNFDUOO-KBAYOESNSA-N 2 1 355.523 0.963 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997491 852690110 /nfs/dbraw/zinc/69/01/10/852690110.db2.gz RPUJUTBVNFDUOO-KBAYOESNSA-N 2 1 355.523 0.963 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195595034 852794888 /nfs/dbraw/zinc/79/48/88/852794888.db2.gz ZGYYNNTWFTUOOU-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195595034 852794889 /nfs/dbraw/zinc/79/48/89/852794889.db2.gz ZGYYNNTWFTUOOU-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195595034 852794897 /nfs/dbraw/zinc/79/48/97/852794897.db2.gz ZGYYNNTWFTUOOU-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195595034 852794904 /nfs/dbraw/zinc/79/49/04/852794904.db2.gz ZGYYNNTWFTUOOU-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CC1 ZINC001195893893 852843420 /nfs/dbraw/zinc/84/34/20/852843420.db2.gz MFNFHMQPRJTYDO-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CC1 ZINC001195893893 852843424 /nfs/dbraw/zinc/84/34/24/852843424.db2.gz MFNFHMQPRJTYDO-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001195893893 852843431 /nfs/dbraw/zinc/84/34/31/852843431.db2.gz MFNFHMQPRJTYDO-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001195893893 852843439 /nfs/dbraw/zinc/84/34/39/852843439.db2.gz MFNFHMQPRJTYDO-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001196636504 852990981 /nfs/dbraw/zinc/99/09/81/852990981.db2.gz BOSXPLGJAXODAW-QZTJIDSGSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791210 853162245 /nfs/dbraw/zinc/16/22/45/853162245.db2.gz CCQIIOPPPNIGDQ-KBRIMQKVSA-N 2 1 353.438 0.626 20 0 FCADMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791210 853162248 /nfs/dbraw/zinc/16/22/48/853162248.db2.gz CCQIIOPPPNIGDQ-KBRIMQKVSA-N 2 1 353.438 0.626 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955507 853191137 /nfs/dbraw/zinc/19/11/37/853191137.db2.gz NLOSBXROOBLZIY-HZPDHXFCSA-N 2 1 352.479 0.939 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955507 853191138 /nfs/dbraw/zinc/19/11/38/853191138.db2.gz NLOSBXROOBLZIY-HZPDHXFCSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198028445 853206828 /nfs/dbraw/zinc/20/68/28/853206828.db2.gz ABSKJIWOYDXLFP-FGTMMUONSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198028445 853206840 /nfs/dbraw/zinc/20/68/40/853206840.db2.gz ABSKJIWOYDXLFP-FGTMMUONSA-N 2 1 355.523 0.821 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198028445 853206851 /nfs/dbraw/zinc/20/68/51/853206851.db2.gz ABSKJIWOYDXLFP-FGTMMUONSA-N 2 1 355.523 0.821 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001198729717 853308451 /nfs/dbraw/zinc/30/84/51/853308451.db2.gz YWZXSJZEAKPDGO-KZNAEPCWSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095713 853369502 /nfs/dbraw/zinc/36/95/02/853369502.db2.gz JQJVDIMVTWNAGY-BRWVUGGUSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095713 853369508 /nfs/dbraw/zinc/36/95/08/853369508.db2.gz JQJVDIMVTWNAGY-BRWVUGGUSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095713 853369509 /nfs/dbraw/zinc/36/95/09/853369509.db2.gz JQJVDIMVTWNAGY-BRWVUGGUSA-N 2 1 353.438 0.361 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001199095713 853369513 /nfs/dbraw/zinc/36/95/13/853369513.db2.gz JQJVDIMVTWNAGY-BRWVUGGUSA-N 2 1 353.438 0.361 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538338 853502402 /nfs/dbraw/zinc/50/24/02/853502402.db2.gz YZDWVULWTQHOLE-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205516041 853619367 /nfs/dbraw/zinc/61/93/67/853619367.db2.gz LWJIYJHRWVBEBT-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205516041 853619373 /nfs/dbraw/zinc/61/93/73/853619373.db2.gz LWJIYJHRWVBEBT-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207280735 853796164 /nfs/dbraw/zinc/79/61/64/853796164.db2.gz UJENCXAGWARZMB-IBGZPJMESA-N 2 1 352.523 0.977 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207280081 853796534 /nfs/dbraw/zinc/79/65/34/853796534.db2.gz MZBRGOPNIDNYFA-LJQANCHMSA-N 2 1 354.539 0.735 20 0 FCADMP O=C([C@@H]1C[C@]2(CO1)CCC[N@@H+](CC1CC[NH2+]CC1)C2)N1CCOCC1 ZINC001207437412 853812780 /nfs/dbraw/zinc/81/27/80/853812780.db2.gz WJXSZGQBASXLGQ-PKOBYXMFSA-N 2 1 351.491 0.716 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682350 853840818 /nfs/dbraw/zinc/84/08/18/853840818.db2.gz LBDQIMRAQMNSNM-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682350 853840820 /nfs/dbraw/zinc/84/08/20/853840820.db2.gz LBDQIMRAQMNSNM-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853874 /nfs/dbraw/zinc/85/38/74/853853874.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853876 /nfs/dbraw/zinc/85/38/76/853853876.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853879 /nfs/dbraw/zinc/85/38/79/853853879.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 2 1 351.495 0.411 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036192 853884823 /nfs/dbraw/zinc/88/48/23/853884823.db2.gz ASJPFRYFNSMSBG-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036192 853884826 /nfs/dbraw/zinc/88/48/26/853884826.db2.gz ASJPFRYFNSMSBG-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036192 853884828 /nfs/dbraw/zinc/88/48/28/853884828.db2.gz ASJPFRYFNSMSBG-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411222 853929679 /nfs/dbraw/zinc/92/96/79/853929679.db2.gz PEGZTRCEHOVYNN-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411222 853929683 /nfs/dbraw/zinc/92/96/83/853929683.db2.gz PEGZTRCEHOVYNN-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001208434805 853933056 /nfs/dbraw/zinc/93/30/56/853933056.db2.gz CQFWXQWWUCAZPL-OAGGEKHMSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447688 853935564 /nfs/dbraw/zinc/93/55/64/853935564.db2.gz LRIJCVHPIRPZAU-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447536 853935585 /nfs/dbraw/zinc/93/55/85/853935585.db2.gz JSWWWUBZVGQLBF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447536 853935587 /nfs/dbraw/zinc/93/55/87/853935587.db2.gz JSWWWUBZVGQLBF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445272 853935694 /nfs/dbraw/zinc/93/56/94/853935694.db2.gz YPPOGFQCUYTGRX-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445272 853935698 /nfs/dbraw/zinc/93/56/98/853935698.db2.gz YPPOGFQCUYTGRX-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001208485810 853940875 /nfs/dbraw/zinc/94/08/75/853940875.db2.gz RXFRFBDCEUIBLG-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001208485810 853940879 /nfs/dbraw/zinc/94/08/79/853940879.db2.gz RXFRFBDCEUIBLG-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492821 853942489 /nfs/dbraw/zinc/94/24/89/853942489.db2.gz QJVNQXFCCPVIQX-TZMCWYRMSA-N 2 1 363.487 0.644 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492821 853942492 /nfs/dbraw/zinc/94/24/92/853942492.db2.gz QJVNQXFCCPVIQX-TZMCWYRMSA-N 2 1 363.487 0.644 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1)C1CC1 ZINC001208591011 853957996 /nfs/dbraw/zinc/95/79/96/853957996.db2.gz MWIRNAREJLPHAD-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1)C1CC1 ZINC001208591011 853957999 /nfs/dbraw/zinc/95/79/99/853957999.db2.gz MWIRNAREJLPHAD-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)C1CC1 ZINC001208591011 853958003 /nfs/dbraw/zinc/95/80/03/853958003.db2.gz MWIRNAREJLPHAD-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)C1CC1 ZINC001208591011 853958005 /nfs/dbraw/zinc/95/80/05/853958005.db2.gz MWIRNAREJLPHAD-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208609991 853959262 /nfs/dbraw/zinc/95/92/62/853959262.db2.gz OJNGSJSTSITHRH-VSZNYVQBSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208609991 853959270 /nfs/dbraw/zinc/95/92/70/853959270.db2.gz OJNGSJSTSITHRH-VSZNYVQBSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208609991 853959276 /nfs/dbraw/zinc/95/92/76/853959276.db2.gz OJNGSJSTSITHRH-VSZNYVQBSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001208627201 853961566 /nfs/dbraw/zinc/96/15/66/853961566.db2.gz XPCKPNGHBIJAHT-OAHLLOKOSA-N 2 1 354.495 0.996 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001208627201 853961571 /nfs/dbraw/zinc/96/15/71/853961571.db2.gz XPCKPNGHBIJAHT-OAHLLOKOSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208646634 853962326 /nfs/dbraw/zinc/96/23/26/853962326.db2.gz RVLBQWXMVRBMBL-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208646634 853962328 /nfs/dbraw/zinc/96/23/28/853962328.db2.gz RVLBQWXMVRBMBL-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208646634 853962330 /nfs/dbraw/zinc/96/23/30/853962330.db2.gz RVLBQWXMVRBMBL-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208646634 853962332 /nfs/dbraw/zinc/96/23/32/853962332.db2.gz RVLBQWXMVRBMBL-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835822 854057128 /nfs/dbraw/zinc/05/71/28/854057128.db2.gz AIZIRXWCFMIJFA-SOLBZPMBSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298907 854098659 /nfs/dbraw/zinc/09/86/59/854098659.db2.gz TYLPCAPPFCMCGT-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298907 854098664 /nfs/dbraw/zinc/09/86/64/854098664.db2.gz TYLPCAPPFCMCGT-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210298907 854098669 /nfs/dbraw/zinc/09/86/69/854098669.db2.gz TYLPCAPPFCMCGT-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210298907 854098674 /nfs/dbraw/zinc/09/86/74/854098674.db2.gz TYLPCAPPFCMCGT-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315205 854099606 /nfs/dbraw/zinc/09/96/06/854099606.db2.gz MIEZRPBYNSKPJI-UKRRQHHQSA-N 2 1 353.467 0.325 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329891 854100452 /nfs/dbraw/zinc/10/04/52/854100452.db2.gz JRQVRIFMVQWDHR-BRWVUGGUSA-N 2 1 353.507 0.552 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001210484759 854114246 /nfs/dbraw/zinc/11/42/46/854114246.db2.gz BTWBKCXYWWUGML-BRWVUGGUSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001210484759 854114252 /nfs/dbraw/zinc/11/42/52/854114252.db2.gz BTWBKCXYWWUGML-BRWVUGGUSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001210484759 854114254 /nfs/dbraw/zinc/11/42/54/854114254.db2.gz BTWBKCXYWWUGML-BRWVUGGUSA-N 2 1 359.511 0.179 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C ZINC001211047044 854149854 /nfs/dbraw/zinc/14/98/54/854149854.db2.gz YPHHWYFFJZWABY-SOLBZPMBSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1C ZINC001211046986 854150447 /nfs/dbraw/zinc/15/04/47/854150447.db2.gz XWYRGFAVRYGUCS-SOLBZPMBSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309712 854175912 /nfs/dbraw/zinc/17/59/12/854175912.db2.gz LGXCMFZXZQPCHC-RBSFLKMASA-N 2 1 350.463 0.104 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001211350722 854180251 /nfs/dbraw/zinc/18/02/51/854180251.db2.gz VWHGWKNSFYRRRA-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212281840 854426164 /nfs/dbraw/zinc/42/61/64/854426164.db2.gz CVEOIITUTIAXFW-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212281840 854426171 /nfs/dbraw/zinc/42/61/71/854426171.db2.gz CVEOIITUTIAXFW-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293582 854430711 /nfs/dbraw/zinc/43/07/11/854430711.db2.gz YEOSUVCOQOEPLR-RCCFBDPRSA-N 2 1 353.507 0.959 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC)[NH+](C)C ZINC001212461177 854489097 /nfs/dbraw/zinc/48/90/97/854489097.db2.gz RQDQGBVTHSVJOA-BZUAXINKSA-N 2 1 350.463 0.041 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC)[NH+](C)C ZINC001212461177 854489102 /nfs/dbraw/zinc/48/91/02/854489102.db2.gz RQDQGBVTHSVJOA-BZUAXINKSA-N 2 1 350.463 0.041 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC)[NH+](C)C ZINC001212460733 854489322 /nfs/dbraw/zinc/48/93/22/854489322.db2.gz LCRJGCBDLVZLLI-RBSFLKMASA-N 2 1 353.467 0.466 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC)[NH+](C)C ZINC001212460733 854489326 /nfs/dbraw/zinc/48/93/26/854489326.db2.gz LCRJGCBDLVZLLI-RBSFLKMASA-N 2 1 353.467 0.466 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212483810 854496733 /nfs/dbraw/zinc/49/67/33/854496733.db2.gz ULGILXHNJSETAA-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212483810 854496744 /nfs/dbraw/zinc/49/67/44/854496744.db2.gz ULGILXHNJSETAA-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212483810 854496755 /nfs/dbraw/zinc/49/67/55/854496755.db2.gz ULGILXHNJSETAA-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212483810 854496763 /nfs/dbraw/zinc/49/67/63/854496763.db2.gz ULGILXHNJSETAA-HZPDHXFCSA-N 2 1 351.495 0.508 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204576 854532212 /nfs/dbraw/zinc/53/22/12/854532212.db2.gz RYYBKNUVECPUCE-ARFHVFGLSA-N 2 1 350.463 0.737 20 0 FCADMP CO[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213204576 854532215 /nfs/dbraw/zinc/53/22/15/854532215.db2.gz RYYBKNUVECPUCE-ARFHVFGLSA-N 2 1 350.463 0.737 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369392 854589351 /nfs/dbraw/zinc/58/93/51/854589351.db2.gz QZPPFXYGWMOIEL-MGPQQGTHSA-N 2 1 367.412 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369392 854589363 /nfs/dbraw/zinc/58/93/63/854589363.db2.gz QZPPFXYGWMOIEL-MGPQQGTHSA-N 2 1 367.412 0.457 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434534 854614811 /nfs/dbraw/zinc/61/48/11/854614811.db2.gz GDSCWLJGDPAVGM-OWCLPIDISA-N 2 1 352.483 0.214 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC)[NH+](CC)CC ZINC001213434534 854614817 /nfs/dbraw/zinc/61/48/17/854614817.db2.gz GDSCWLJGDPAVGM-OWCLPIDISA-N 2 1 352.483 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213721516 854734934 /nfs/dbraw/zinc/73/49/34/854734934.db2.gz SBLDJXVSZGDUGS-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001213721516 854734941 /nfs/dbraw/zinc/73/49/41/854734941.db2.gz SBLDJXVSZGDUGS-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001213721516 854734948 /nfs/dbraw/zinc/73/49/48/854734948.db2.gz SBLDJXVSZGDUGS-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001213755552 854752242 /nfs/dbraw/zinc/75/22/42/854752242.db2.gz CTSNSCXQXAUHSS-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001213755552 854752250 /nfs/dbraw/zinc/75/22/50/854752250.db2.gz CTSNSCXQXAUHSS-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001213755552 854752257 /nfs/dbraw/zinc/75/22/57/854752257.db2.gz CTSNSCXQXAUHSS-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001213755552 854752268 /nfs/dbraw/zinc/75/22/68/854752268.db2.gz CTSNSCXQXAUHSS-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759301 854754588 /nfs/dbraw/zinc/75/45/88/854754588.db2.gz FXLQWTKURKYQGW-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759435 854754736 /nfs/dbraw/zinc/75/47/36/854754736.db2.gz LGHSXTPYWFQNHD-RBSFLKMASA-N 2 1 356.511 0.447 20 0 FCADMP CCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213759250 854754774 /nfs/dbraw/zinc/75/47/74/854754774.db2.gz BXMXYESFRXOFOZ-BZUAXINKSA-N 2 1 356.511 0.448 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765099 854758339 /nfs/dbraw/zinc/75/83/39/854758339.db2.gz UGJBIIPYTUEKDP-OWCLPIDISA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765099 854758344 /nfs/dbraw/zinc/75/83/44/854758344.db2.gz UGJBIIPYTUEKDP-OWCLPIDISA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765099 854758349 /nfs/dbraw/zinc/75/83/49/854758349.db2.gz UGJBIIPYTUEKDP-OWCLPIDISA-N 2 1 356.511 0.578 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765099 854758353 /nfs/dbraw/zinc/75/83/53/854758353.db2.gz UGJBIIPYTUEKDP-OWCLPIDISA-N 2 1 356.511 0.578 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868495 854799774 /nfs/dbraw/zinc/79/97/74/854799774.db2.gz XWTWWARRNMHGCK-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922057 854825391 /nfs/dbraw/zinc/82/53/91/854825391.db2.gz OSMLEGZZBNTVPP-IAGOWNOFSA-N 2 1 357.495 0.341 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922102 854826587 /nfs/dbraw/zinc/82/65/87/854826587.db2.gz REJYQTRRVLWLON-HUUCEWRRSA-N 2 1 363.449 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922102 854826590 /nfs/dbraw/zinc/82/65/90/854826590.db2.gz REJYQTRRVLWLON-HUUCEWRRSA-N 2 1 363.449 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001214335715 854927018 /nfs/dbraw/zinc/92/70/18/854927018.db2.gz GTHFFBYCSJRPKS-FVQBIDKESA-N 2 1 364.515 0.895 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388686 854937632 /nfs/dbraw/zinc/93/76/32/854937632.db2.gz HGJQOTYXRFWBOH-FVQBIDKESA-N 2 1 354.495 0.058 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388686 854937643 /nfs/dbraw/zinc/93/76/43/854937643.db2.gz HGJQOTYXRFWBOH-FVQBIDKESA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214597136 854975961 /nfs/dbraw/zinc/97/59/61/854975961.db2.gz DUMDQTLMFPSGDC-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001214665998 854989069 /nfs/dbraw/zinc/98/90/69/854989069.db2.gz PFHUOHMSPNXMII-YYIAUSFCSA-N 2 1 352.523 0.925 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757331 855003698 /nfs/dbraw/zinc/00/36/98/855003698.db2.gz JFIRAROSSOWITJ-QLFBSQMISA-N 2 1 354.474 0.914 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214856200 855024901 /nfs/dbraw/zinc/02/49/01/855024901.db2.gz XXUIXCOGBUNIBX-OWCLPIDISA-N 2 1 359.536 0.730 20 0 FCADMP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214863408 855026052 /nfs/dbraw/zinc/02/60/52/855026052.db2.gz LVKSXPFYBRCJOE-CKEIUWERSA-N 2 1 350.507 0.822 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001215000074 855049458 /nfs/dbraw/zinc/04/94/58/855049458.db2.gz WTRVVLUDDLXSBW-RRFJBIMHSA-N 2 1 361.552 0.834 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001214996834 855049820 /nfs/dbraw/zinc/04/98/20/855049820.db2.gz DJOOSGZWZVCQNI-ZIAGYGMSSA-N 2 1 362.540 0.093 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184746 855078258 /nfs/dbraw/zinc/07/82/58/855078258.db2.gz RLDDWVBTQOQGFL-LDBBTLTOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215228461 855085703 /nfs/dbraw/zinc/08/57/03/855085703.db2.gz QHZGYLRLUMPIIZ-HYVNUMGLSA-N 2 1 350.507 0.966 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393118 855108982 /nfs/dbraw/zinc/10/89/82/855108982.db2.gz OOBLADMSYZHHLE-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393118 855108988 /nfs/dbraw/zinc/10/89/88/855108988.db2.gz OOBLADMSYZHHLE-OAGGEKHMSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397105 855109985 /nfs/dbraw/zinc/10/99/85/855109985.db2.gz SYHKLAUTBVMLRG-LTIDMASMSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC001215460607 855118388 /nfs/dbraw/zinc/11/83/88/855118388.db2.gz AISFDAFEWLURTK-VMGRFDJRSA-N 2 1 350.438 0.740 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540306 855126599 /nfs/dbraw/zinc/12/65/99/855126599.db2.gz LGZDQHPUXQMDKA-OWCLPIDISA-N 2 1 359.536 0.732 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001216216899 855180829 /nfs/dbraw/zinc/18/08/29/855180829.db2.gz FCIADSAPQQDYQA-CHWSQXEVSA-N 2 1 353.492 0.860 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC001216499616 855207982 /nfs/dbraw/zinc/20/79/82/855207982.db2.gz OIIWAAAVWZEQCF-CHWSQXEVSA-N 2 1 358.437 0.822 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC001216499616 855207986 /nfs/dbraw/zinc/20/79/86/855207986.db2.gz OIIWAAAVWZEQCF-CHWSQXEVSA-N 2 1 358.437 0.822 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001216499013 855208646 /nfs/dbraw/zinc/20/86/46/855208646.db2.gz DDUXWBSJVAIYSN-ZIAGYGMSSA-N 2 1 351.499 0.706 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001216499013 855208654 /nfs/dbraw/zinc/20/86/54/855208654.db2.gz DDUXWBSJVAIYSN-ZIAGYGMSSA-N 2 1 351.499 0.706 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)on2)C1 ZINC001216503720 855208888 /nfs/dbraw/zinc/20/88/88/855208888.db2.gz WPNYLGWJSGGVSI-TZMCWYRMSA-N 2 1 351.451 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216754267 855232743 /nfs/dbraw/zinc/23/27/43/855232743.db2.gz NHVROBRVQDCZIH-JHJVBQTASA-N 2 1 351.476 0.470 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801948 855247283 /nfs/dbraw/zinc/24/72/83/855247283.db2.gz ZDODNTYGNFXMRY-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801948 855247285 /nfs/dbraw/zinc/24/72/85/855247285.db2.gz ZDODNTYGNFXMRY-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216851896 855259483 /nfs/dbraw/zinc/25/94/83/855259483.db2.gz KPOGGTILCBPMSV-ZIAGYGMSSA-N 2 1 367.519 0.883 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216851819 855259854 /nfs/dbraw/zinc/25/98/54/855259854.db2.gz JBPZDLGFLYMPTB-BZUAXINKSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)CC[N@@H+]1C ZINC001217933110 855383546 /nfs/dbraw/zinc/38/35/46/855383546.db2.gz RHFMRZDXERJWMB-APIJFGDWSA-N 2 1 361.433 0.520 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)CC[N@H+]1C ZINC001217933110 855383555 /nfs/dbraw/zinc/38/35/55/855383555.db2.gz RHFMRZDXERJWMB-APIJFGDWSA-N 2 1 361.433 0.520 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)CC[NH+]1C ZINC001217933110 855383565 /nfs/dbraw/zinc/38/35/65/855383565.db2.gz RHFMRZDXERJWMB-APIJFGDWSA-N 2 1 361.433 0.520 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)CC[NH+]1C ZINC001217933110 855383569 /nfs/dbraw/zinc/38/35/69/855383569.db2.gz RHFMRZDXERJWMB-APIJFGDWSA-N 2 1 361.433 0.520 20 0 FCADMP CCC(=O)[C@H]1C[C@@H](Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])[nH]c2=O)C[NH2+]1 ZINC001218323349 855415301 /nfs/dbraw/zinc/41/53/01/855415301.db2.gz IBGQHMDDVBZBAD-RKDXNWHRSA-N 2 1 352.391 0.251 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218624949 855452591 /nfs/dbraw/zinc/45/25/91/855452591.db2.gz YQKPGGQEGWELLO-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218624949 855452595 /nfs/dbraw/zinc/45/25/95/855452595.db2.gz YQKPGGQEGWELLO-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218624949 855452597 /nfs/dbraw/zinc/45/25/97/855452597.db2.gz YQKPGGQEGWELLO-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218624949 855452601 /nfs/dbraw/zinc/45/26/01/855452601.db2.gz YQKPGGQEGWELLO-YESZJQIVSA-N 2 1 355.479 0.045 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965221 855504326 /nfs/dbraw/zinc/50/43/26/855504326.db2.gz HPXZQSRUNSKBHB-SOUVJXGZSA-N 2 1 361.433 0.522 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965221 855504329 /nfs/dbraw/zinc/50/43/29/855504329.db2.gz HPXZQSRUNSKBHB-SOUVJXGZSA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965221 855504333 /nfs/dbraw/zinc/50/43/33/855504333.db2.gz HPXZQSRUNSKBHB-SOUVJXGZSA-N 2 1 361.433 0.522 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218965221 855504337 /nfs/dbraw/zinc/50/43/37/855504337.db2.gz HPXZQSRUNSKBHB-SOUVJXGZSA-N 2 1 361.433 0.522 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001219004452 855510212 /nfs/dbraw/zinc/51/02/12/855510212.db2.gz KRIGFBMEXPVBAU-LSDHHAIUSA-N 2 1 363.449 0.912 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001219004452 855510218 /nfs/dbraw/zinc/51/02/18/855510218.db2.gz KRIGFBMEXPVBAU-LSDHHAIUSA-N 2 1 363.449 0.912 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001219004452 855510224 /nfs/dbraw/zinc/51/02/24/855510224.db2.gz KRIGFBMEXPVBAU-LSDHHAIUSA-N 2 1 363.449 0.912 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001219004452 855510230 /nfs/dbraw/zinc/51/02/30/855510230.db2.gz KRIGFBMEXPVBAU-LSDHHAIUSA-N 2 1 363.449 0.912 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219614030 855734110 /nfs/dbraw/zinc/73/41/10/855734110.db2.gz ZDHSCSWFXRXBKJ-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001219614030 855734115 /nfs/dbraw/zinc/73/41/15/855734115.db2.gz ZDHSCSWFXRXBKJ-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219614030 855734117 /nfs/dbraw/zinc/73/41/17/855734117.db2.gz ZDHSCSWFXRXBKJ-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219614030 855734125 /nfs/dbraw/zinc/73/41/25/855734125.db2.gz ZDHSCSWFXRXBKJ-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2O)CC[N@H+]1C ZINC001219655963 855755644 /nfs/dbraw/zinc/75/56/44/855755644.db2.gz DJPXHIMSQIXBOD-SYQHCUMBSA-N 2 1 367.412 0.457 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001219655963 855755648 /nfs/dbraw/zinc/75/56/48/855755648.db2.gz DJPXHIMSQIXBOD-SYQHCUMBSA-N 2 1 367.412 0.457 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001219655963 855755652 /nfs/dbraw/zinc/75/56/52/855755652.db2.gz DJPXHIMSQIXBOD-SYQHCUMBSA-N 2 1 367.412 0.457 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665396 855759950 /nfs/dbraw/zinc/75/99/50/855759950.db2.gz JJPMSLIPFFMCEU-XHSDSOJGSA-N 2 1 352.479 0.985 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665396 855759955 /nfs/dbraw/zinc/75/99/55/855759955.db2.gz JJPMSLIPFFMCEU-XHSDSOJGSA-N 2 1 352.479 0.985 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219731866 855789988 /nfs/dbraw/zinc/78/99/88/855789988.db2.gz INZLHQZOQTZZTA-MCIONIFRSA-N 2 1 351.413 0.873 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219793669 855814634 /nfs/dbraw/zinc/81/46/34/855814634.db2.gz JJQWWXUNVHOQJS-HNAYVOBHSA-N 2 1 350.507 0.478 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219794150 855815073 /nfs/dbraw/zinc/81/50/73/855815073.db2.gz RWWQDTZRMBIHIX-OAHLLOKOSA-N 2 1 350.507 0.478 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219793668 855815190 /nfs/dbraw/zinc/81/51/90/855815190.db2.gz JJQWWXUNVHOQJS-DNVCBOLYSA-N 2 1 350.507 0.478 20 0 FCADMP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219800814 855819652 /nfs/dbraw/zinc/81/96/52/855819652.db2.gz NTDKTWQTWRCWDV-HZPDHXFCSA-N 3 1 350.507 0.335 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001219868852 855853929 /nfs/dbraw/zinc/85/39/29/855853929.db2.gz BPMNUBOWQVQMFC-UPJWGTAASA-N 2 1 355.401 0.457 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219905190 855873053 /nfs/dbraw/zinc/87/30/53/855873053.db2.gz WGRVOIMTTMGQAH-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219905190 855873061 /nfs/dbraw/zinc/87/30/61/855873061.db2.gz WGRVOIMTTMGQAH-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219905190 855873069 /nfs/dbraw/zinc/87/30/69/855873069.db2.gz WGRVOIMTTMGQAH-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219905190 855873078 /nfs/dbraw/zinc/87/30/78/855873078.db2.gz WGRVOIMTTMGQAH-OAGGEKHMSA-N 2 1 357.495 0.074 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001220053652 855934221 /nfs/dbraw/zinc/93/42/21/855934221.db2.gz ZGGVENVHKJKQKO-KGLIPLIRSA-N 2 1 363.487 0.522 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057906 855937648 /nfs/dbraw/zinc/93/76/48/855937648.db2.gz LBECAGRRXPJAFE-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057906 855937654 /nfs/dbraw/zinc/93/76/54/855937654.db2.gz LBECAGRRXPJAFE-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073971 855946744 /nfs/dbraw/zinc/94/67/44/855946744.db2.gz RPUJUTBVNFDUOO-NXHRZFHOSA-N 2 1 355.523 0.963 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073971 855946732 /nfs/dbraw/zinc/94/67/32/855946732.db2.gz RPUJUTBVNFDUOO-NXHRZFHOSA-N 2 1 355.523 0.963 20 0 FCADMP C[C@@H](O)CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073971 855946737 /nfs/dbraw/zinc/94/67/37/855946737.db2.gz RPUJUTBVNFDUOO-NXHRZFHOSA-N 2 1 355.523 0.963 20 0 FCADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC[S@@](C)=O)c1 ZINC001220120746 855970999 /nfs/dbraw/zinc/97/09/99/855970999.db2.gz OOEAFOMILRTIKU-UOXLDJKESA-N 2 1 368.459 0.494 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220332186 856070200 /nfs/dbraw/zinc/07/02/00/856070200.db2.gz JSTJPEAJUHDYIU-HOTGVXAUSA-N 2 1 371.547 0.637 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351973 856080504 /nfs/dbraw/zinc/08/05/04/856080504.db2.gz OSLRDCNJXCVMIK-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351973 856080514 /nfs/dbraw/zinc/08/05/14/856080514.db2.gz OSLRDCNJXCVMIK-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220351973 856080524 /nfs/dbraw/zinc/08/05/24/856080524.db2.gz OSLRDCNJXCVMIK-MCIONIFRSA-N 2 1 367.412 0.601 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367386 856087733 /nfs/dbraw/zinc/08/77/33/856087733.db2.gz WCVQFJZIBXRESW-OLZOCXBDSA-N 2 1 351.438 0.407 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367386 856087736 /nfs/dbraw/zinc/08/77/36/856087736.db2.gz WCVQFJZIBXRESW-OLZOCXBDSA-N 2 1 351.438 0.407 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367386 856087738 /nfs/dbraw/zinc/08/77/38/856087738.db2.gz WCVQFJZIBXRESW-OLZOCXBDSA-N 2 1 351.438 0.407 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367386 856087743 /nfs/dbraw/zinc/08/77/43/856087743.db2.gz WCVQFJZIBXRESW-OLZOCXBDSA-N 2 1 351.438 0.407 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220478784 856146716 /nfs/dbraw/zinc/14/67/16/856146716.db2.gz KNAUBAGCRFJYOG-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728369 856265092 /nfs/dbraw/zinc/26/50/92/856265092.db2.gz IPWWXFYMQRNDTF-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220798992 856307111 /nfs/dbraw/zinc/30/71/11/856307111.db2.gz KTVMINUVUNOZBA-KGLIPLIRSA-N 2 1 369.428 0.849 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220909453 856368896 /nfs/dbraw/zinc/36/88/96/856368896.db2.gz UFSLMFUNTUJAGL-UHFFFAOYSA-N 2 1 351.495 0.561 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@]3(N)CC[NH2+]C3)CC2)c1 ZINC001220910947 856370313 /nfs/dbraw/zinc/37/03/13/856370313.db2.gz AFEYZWRPNKAHKR-GOSISDBHSA-N 2 1 350.438 0.606 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220978043 856404066 /nfs/dbraw/zinc/40/40/66/856404066.db2.gz JQVZIYLJZSMQCK-OLZOCXBDSA-N 2 1 353.385 0.213 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220978043 856404073 /nfs/dbraw/zinc/40/40/73/856404073.db2.gz JQVZIYLJZSMQCK-OLZOCXBDSA-N 2 1 353.385 0.213 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O ZINC001220986024 856408743 /nfs/dbraw/zinc/40/87/43/856408743.db2.gz OSTPFQHVVBNVJE-NXHRZFHOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O ZINC001220986221 856408822 /nfs/dbraw/zinc/40/88/22/856408822.db2.gz WSZVZIVJURNOHF-NXHRZFHOSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001221073232 856449026 /nfs/dbraw/zinc/44/90/26/856449026.db2.gz LXNFMDUXLLMCFN-ILXRZTDVSA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001221073232 856449030 /nfs/dbraw/zinc/44/90/30/856449030.db2.gz LXNFMDUXLLMCFN-ILXRZTDVSA-N 2 1 361.433 0.448 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001221073458 856450184 /nfs/dbraw/zinc/45/01/84/856450184.db2.gz XLTBBDGWSUMART-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cncn1Cc1cccc(Br)c1 ZINC001221121573 856471183 /nfs/dbraw/zinc/47/11/83/856471183.db2.gz JUUHLWUYJFHGRQ-AWEZNQCLSA-N 2 1 366.263 0.986 20 0 FCADMP C[NH2+]CCC(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341330 856552733 /nfs/dbraw/zinc/55/27/33/856552733.db2.gz SBGZITYMHZXZSW-AWEZNQCLSA-N 2 1 365.503 0.885 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](C)C1 ZINC001221407683 856560116 /nfs/dbraw/zinc/56/01/16/856560116.db2.gz DUIPUIPJDIJATA-SOUVJXGZSA-N 2 1 356.511 0.480 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414041 856560475 /nfs/dbraw/zinc/56/04/75/856560475.db2.gz SBEPWRSOWKPRJX-NVXWUHKLSA-N 2 1 354.882 0.766 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001221410063 856560649 /nfs/dbraw/zinc/56/06/49/856560649.db2.gz ABCDCZKCVRKVGL-QGZVFWFLSA-N 2 1 368.909 0.981 20 0 FCADMP CC(C)COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640131 856634987 /nfs/dbraw/zinc/63/49/87/856634987.db2.gz HZLPRWIOGIKYLF-BRSBDYLESA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640131 856634988 /nfs/dbraw/zinc/63/49/88/856634988.db2.gz HZLPRWIOGIKYLF-BRSBDYLESA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640131 856634990 /nfs/dbraw/zinc/63/49/90/856634990.db2.gz HZLPRWIOGIKYLF-BRSBDYLESA-N 2 1 353.507 0.911 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640131 856634993 /nfs/dbraw/zinc/63/49/93/856634993.db2.gz HZLPRWIOGIKYLF-BRSBDYLESA-N 2 1 353.507 0.911 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711801 856659649 /nfs/dbraw/zinc/65/96/49/856659649.db2.gz CXIVXOUHHDQHEQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711801 856659658 /nfs/dbraw/zinc/65/96/58/856659658.db2.gz CXIVXOUHHDQHEQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711801 856659666 /nfs/dbraw/zinc/65/96/66/856659666.db2.gz CXIVXOUHHDQHEQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711801 856659675 /nfs/dbraw/zinc/65/96/75/856659675.db2.gz CXIVXOUHHDQHEQ-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772513 856677331 /nfs/dbraw/zinc/67/73/31/856677331.db2.gz DILGOSAQGSVIIJ-HZPDHXFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772513 856677336 /nfs/dbraw/zinc/67/73/36/856677336.db2.gz DILGOSAQGSVIIJ-HZPDHXFCSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001221777200 856679024 /nfs/dbraw/zinc/67/90/24/856679024.db2.gz WYHBMYLEEBIZCE-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001221777200 856679025 /nfs/dbraw/zinc/67/90/25/856679025.db2.gz WYHBMYLEEBIZCE-BZUAXINKSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001221791589 856685873 /nfs/dbraw/zinc/68/58/73/856685873.db2.gz UDGLIWPJKRXMEJ-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001221848468 856708669 /nfs/dbraw/zinc/70/86/69/856708669.db2.gz PTVJIPJFFUIIAQ-RCCFBDPRSA-N 2 1 353.507 0.793 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221883750 856722447 /nfs/dbraw/zinc/72/24/47/856722447.db2.gz SQQJTKYAJFCCLY-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945019 856742828 /nfs/dbraw/zinc/74/28/28/856742828.db2.gz FERFCRNFXHSPIQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945019 856742830 /nfs/dbraw/zinc/74/28/30/856742830.db2.gz FERFCRNFXHSPIQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945019 856742835 /nfs/dbraw/zinc/74/28/35/856742835.db2.gz FERFCRNFXHSPIQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945019 856742837 /nfs/dbraw/zinc/74/28/37/856742837.db2.gz FERFCRNFXHSPIQ-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221957952 856748797 /nfs/dbraw/zinc/74/87/97/856748797.db2.gz CXXGOXIBSQBWNV-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221957941 856749526 /nfs/dbraw/zinc/74/95/26/856749526.db2.gz CRKKDCOSEMBEHS-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221957941 856749530 /nfs/dbraw/zinc/74/95/30/856749530.db2.gz CRKKDCOSEMBEHS-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222694038 856866261 /nfs/dbraw/zinc/86/62/61/856866261.db2.gz MKTXFZWUYJQIRN-SQNIBIBYSA-N 2 1 351.491 0.260 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707930 856867072 /nfs/dbraw/zinc/86/70/72/856867072.db2.gz PFAGZJZHKVIWIU-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707930 856867073 /nfs/dbraw/zinc/86/70/73/856867073.db2.gz PFAGZJZHKVIWIU-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707930 856867074 /nfs/dbraw/zinc/86/70/74/856867074.db2.gz PFAGZJZHKVIWIU-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707930 856867075 /nfs/dbraw/zinc/86/70/75/856867075.db2.gz PFAGZJZHKVIWIU-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1conc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916456 856951208 /nfs/dbraw/zinc/95/12/08/856951208.db2.gz JIGZVJSHQKTNIB-WBVHZDCISA-N 2 1 350.463 0.984 20 0 FCADMP Cc1conc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916456 856951212 /nfs/dbraw/zinc/95/12/12/856951212.db2.gz JIGZVJSHQKTNIB-WBVHZDCISA-N 2 1 350.463 0.984 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525472 857047647 /nfs/dbraw/zinc/04/76/47/857047647.db2.gz QYVDBOLUSOMQTA-OAGGEKHMSA-N 2 1 354.495 0.106 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525472 857047649 /nfs/dbraw/zinc/04/76/49/857047649.db2.gz QYVDBOLUSOMQTA-OAGGEKHMSA-N 2 1 354.495 0.106 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525467 857047802 /nfs/dbraw/zinc/04/78/02/857047802.db2.gz QYVDBOLUSOMQTA-BZUAXINKSA-N 2 1 354.495 0.106 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525467 857047808 /nfs/dbraw/zinc/04/78/08/857047808.db2.gz QYVDBOLUSOMQTA-BZUAXINKSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001226334714 857098762 /nfs/dbraw/zinc/09/87/62/857098762.db2.gz YXHMAVPHKXTSHR-KLHDSHLOSA-N 2 1 374.551 0.235 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001226563898 857109747 /nfs/dbraw/zinc/10/97/47/857109747.db2.gz DPHPPDVUTUUSIC-MGPQQGTHSA-N 2 1 355.462 0.407 20 0 FCADMP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227613808 857167054 /nfs/dbraw/zinc/16/70/54/857167054.db2.gz NFXOWHUBHBVXGD-RVKOJVRFSA-N 2 1 351.491 0.903 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001228207682 857197411 /nfs/dbraw/zinc/19/74/11/857197411.db2.gz YLHIRAZVJFWPKD-CAOSSQGBSA-N 2 1 359.536 0.778 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229115337 857251733 /nfs/dbraw/zinc/25/17/33/857251733.db2.gz JQITVSWQIVBDOX-HZPDHXFCSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1)C(N)=O ZINC001229136302 857252604 /nfs/dbraw/zinc/25/26/04/857252604.db2.gz ZOLQMFWPSCOJID-BZUAXINKSA-N 2 1 354.495 0.380 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001229683232 857281504 /nfs/dbraw/zinc/28/15/04/857281504.db2.gz RRRMPNPYXNETPH-ARFHVFGLSA-N 2 1 359.536 0.780 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229711034 857283271 /nfs/dbraw/zinc/28/32/71/857283271.db2.gz UJKOSZVAELNZBO-HZPDHXFCSA-N 2 1 352.483 0.393 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCOCC ZINC001229860504 857290094 /nfs/dbraw/zinc/29/00/94/857290094.db2.gz VEWQEWBUGXIVSP-HZPDHXFCSA-N 2 1 356.511 0.498 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001229852763 857290401 /nfs/dbraw/zinc/29/04/01/857290401.db2.gz KVMDSYXDZWMLPR-HZPDHXFCSA-N 2 1 353.511 0.761 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)C)C1 ZINC001230215343 857315009 /nfs/dbraw/zinc/31/50/09/857315009.db2.gz NFKKENKQDMSBOA-OAGGEKHMSA-N 2 1 354.495 0.249 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)C)C1 ZINC001230215343 857315015 /nfs/dbraw/zinc/31/50/15/857315015.db2.gz NFKKENKQDMSBOA-OAGGEKHMSA-N 2 1 354.495 0.249 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](Cc1nc3c(s1)C[NH2+]CC3)C2 ZINC001235334550 857422345 /nfs/dbraw/zinc/42/23/45/857422345.db2.gz NIMSNVXLEUQZKG-WLHTULFXSA-N 3 1 362.499 0.619 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1nc3c(s1)C[NH2+]CC3)C2 ZINC001235334550 857422353 /nfs/dbraw/zinc/42/23/53/857422353.db2.gz NIMSNVXLEUQZKG-WLHTULFXSA-N 2 1 362.499 0.619 20 0 FCADMP COCCO[C@H]1CC[N@H+](C[C@@H]2CNC(C)(C)O2)[C@H]1Cc1cnn(C)c1 ZINC001235634390 857430168 /nfs/dbraw/zinc/43/01/68/857430168.db2.gz AXDLBLZRBVSORC-ULQDDVLXSA-N 2 1 352.479 0.793 20 0 FCADMP O=C(C1CC[NH+](C2CC[NH+](CCCCO)CC2)CC1)N1CCOCC1 ZINC001235615076 857430396 /nfs/dbraw/zinc/43/03/96/857430396.db2.gz KMAGNOCSXQPJDH-UHFFFAOYSA-N 2 1 353.507 0.794 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@H]1C2 ZINC001236024947 857435535 /nfs/dbraw/zinc/43/55/35/857435535.db2.gz SSVICVLLLFWKGU-RPCDLPGOSA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024947 857435540 /nfs/dbraw/zinc/43/55/40/857435540.db2.gz SSVICVLLLFWKGU-RPCDLPGOSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@H]1C2 ZINC001236024947 857435546 /nfs/dbraw/zinc/43/55/46/857435546.db2.gz SSVICVLLLFWKGU-RPCDLPGOSA-N 3 1 357.445 0.808 20 0 FCADMP Cc1cc(N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC001239083966 857511899 /nfs/dbraw/zinc/51/18/99/857511899.db2.gz CRLJFMAUWFHPDY-UHFFFAOYSA-N 2 1 353.492 0.545 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245978210 857561512 /nfs/dbraw/zinc/56/15/12/857561512.db2.gz KPWYVAQNDXKDEM-VDMKFOLZSA-N 2 1 355.429 0.410 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001246018439 857564117 /nfs/dbraw/zinc/56/41/17/857564117.db2.gz DLGUSDIERJRFDU-MJGOQNOKSA-N 2 1 352.475 0.791 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3COC4(C3)CC[NH2+]CC4)C[C@H](C1)N2 ZINC001246123709 857569589 /nfs/dbraw/zinc/56/95/89/857569589.db2.gz AQWRCRMTPNTIMG-BFHKSVSOSA-N 2 1 351.491 0.807 20 0 FCADMP O=C([C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[NH2+]1)N1CCSC1 ZINC001246185675 857570517 /nfs/dbraw/zinc/57/05/17/857570517.db2.gz VIUDSJJQHVSRCH-JYJNAYRXSA-N 2 1 368.547 0.388 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606394 857585789 /nfs/dbraw/zinc/58/57/89/857585789.db2.gz FGFQNROINHWLMI-SOUVJXGZSA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H]1CC[C@@H](C(=O)OC)NC1)CC[NH2+]CC2 ZINC001246606394 857585796 /nfs/dbraw/zinc/58/57/96/857585796.db2.gz FGFQNROINHWLMI-SOUVJXGZSA-N 2 1 353.463 0.287 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683354 857589850 /nfs/dbraw/zinc/58/98/50/857589850.db2.gz SBAVTUHCLAKGJI-KRXQYRFLSA-N 2 1 353.463 0.145 20 0 FCADMP C(O[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246713244 857593757 /nfs/dbraw/zinc/59/37/57/857593757.db2.gz DRPSIXUAWLCORX-WNRNVDISSA-N 2 1 351.491 0.223 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CC[NH2+]1 ZINC001246736221 857595271 /nfs/dbraw/zinc/59/52/71/857595271.db2.gz KFGVIRQORGSYNU-ZMMAXQRCSA-N 2 1 351.491 0.714 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCNCC[NH2+]CCNCC1)C2 ZINC001246823872 857601976 /nfs/dbraw/zinc/60/19/76/857601976.db2.gz XBXKBAFXLBJAPQ-BJWYYQGGSA-N 2 1 353.511 0.223 20 0 FCADMP CCOC(=O)[C@]12C[N@H+]([C@H](C)CC(=O)N3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001246856484 857603224 /nfs/dbraw/zinc/60/32/24/857603224.db2.gz VFLIEKYIBQYPOO-IIDMSEBBSA-N 2 1 353.463 0.098 20 0 FCADMP COC(=O)[C@H](N)[C@@H]1CCC[N@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926497 857606590 /nfs/dbraw/zinc/60/65/90/857606590.db2.gz TXZJNIJBIVRUQP-KFAQONHGSA-N 2 1 353.463 0.271 20 0 FCADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940753 857606814 /nfs/dbraw/zinc/60/68/14/857606814.db2.gz VAUAQBZMLHLHFG-DOTOQJQBSA-N 3 1 350.507 0.430 20 0 FCADMP COC(=O)[C@H]1CCCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940753 857606816 /nfs/dbraw/zinc/60/68/16/857606816.db2.gz VAUAQBZMLHLHFG-DOTOQJQBSA-N 2 1 350.507 0.430 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CCN1 ZINC001246993041 857608496 /nfs/dbraw/zinc/60/84/96/857608496.db2.gz JVEZMGHQNVBPST-MSOLQXFVSA-N 2 1 352.523 0.818 20 0 FCADMP CCOC(=O)[C@@H]1C[C@H]([N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)CCN1 ZINC001246993041 857608503 /nfs/dbraw/zinc/60/85/03/857608503.db2.gz JVEZMGHQNVBPST-MSOLQXFVSA-N 2 1 352.523 0.818 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC001246985901 857608943 /nfs/dbraw/zinc/60/89/43/857608943.db2.gz AQWUJSKHTKUVLZ-IEBWSBKVSA-N 3 1 352.523 0.818 20 0 FCADMP COC(=O)[C@H]1CCC[N@H+](C2CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001249836713 857652141 /nfs/dbraw/zinc/65/21/41/857652141.db2.gz AJJZEKZRYMRNGW-AWEZNQCLSA-N 2 1 356.536 0.772 20 0 FCADMP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001252024077 857776133 /nfs/dbraw/zinc/77/61/33/857776133.db2.gz JMUDHUNKNOIIGW-XDNAFOTISA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001252024077 857776141 /nfs/dbraw/zinc/77/61/41/857776141.db2.gz JMUDHUNKNOIIGW-XDNAFOTISA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001252024077 857776149 /nfs/dbraw/zinc/77/61/49/857776149.db2.gz JMUDHUNKNOIIGW-XDNAFOTISA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001252024077 857776155 /nfs/dbraw/zinc/77/61/55/857776155.db2.gz JMUDHUNKNOIIGW-XDNAFOTISA-N 2 1 351.495 0.849 20 0 FCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252024368 857776257 /nfs/dbraw/zinc/77/62/57/857776257.db2.gz NACFRHIXAYXIIN-KZNAEPCWSA-N 2 1 353.507 0.791 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001252416379 857798893 /nfs/dbraw/zinc/79/88/93/857798893.db2.gz XDPXTVMCZMWHRN-GOEBONIOSA-N 2 1 352.431 0.869 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185133 857870420 /nfs/dbraw/zinc/87/04/20/857870420.db2.gz CTYGLQDISCENHE-KRWDZBQOSA-N 2 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001253187521 857870740 /nfs/dbraw/zinc/87/07/40/857870740.db2.gz YKVRKSPLDMQRIA-YQVWRLOYSA-N 2 1 353.507 0.696 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cnsc4)CC3)[C@@H]2C1 ZINC001279564076 862960739 /nfs/dbraw/zinc/96/07/39/862960739.db2.gz IJRVYCZSHIVKSD-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cnsc4)CC3)[C@@H]2C1 ZINC001279564076 862960754 /nfs/dbraw/zinc/96/07/54/862960754.db2.gz IJRVYCZSHIVKSD-HZPDHXFCSA-N 2 1 363.531 0.717 20 0 FCADMP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388268 857884006 /nfs/dbraw/zinc/88/40/06/857884006.db2.gz DUXNKHYYNJQDNI-CABCVRRESA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389380 857885117 /nfs/dbraw/zinc/88/51/17/857885117.db2.gz ZYANUAAKIXWEOP-RVKKMQEKSA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389380 857885127 /nfs/dbraw/zinc/88/51/27/857885127.db2.gz ZYANUAAKIXWEOP-RVKKMQEKSA-N 2 1 357.495 0.122 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253405961 857886418 /nfs/dbraw/zinc/88/64/18/857886418.db2.gz VHHIWJJLQFQUQW-GBJTYRQASA-N 2 1 357.495 0.959 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001254332416 857960286 /nfs/dbraw/zinc/96/02/86/857960286.db2.gz KARGBYDVDIUOPI-BRWVUGGUSA-N 2 1 369.531 0.581 20 0 FCADMP C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001254515666 857975815 /nfs/dbraw/zinc/97/58/15/857975815.db2.gz ANQUKALJBNDPKW-HNNXBMFYSA-N 2 1 352.504 0.859 20 0 FCADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1 ZINC001254519902 857977059 /nfs/dbraw/zinc/97/70/59/857977059.db2.gz BILLJKBJZGJHAV-INIZCTEOSA-N 2 1 359.536 0.845 20 0 FCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CCC[N@@H+](C)C2)S(C)(=O)=O)cn1 ZINC001255481636 858013452 /nfs/dbraw/zinc/01/34/52/858013452.db2.gz BTEATLVRQBOZPY-OWCLPIDISA-N 2 1 355.508 0.049 20 0 FCADMP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071213 858052148 /nfs/dbraw/zinc/05/21/48/858052148.db2.gz RVXMVEHXSGZLCJ-UHFFFAOYSA-N 3 1 359.511 0.228 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001256792906 858099129 /nfs/dbraw/zinc/09/91/29/858099129.db2.gz VMHUYUKUQBAVOH-IRXDYDNUSA-N 2 1 352.523 0.881 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](C1CC[NH+](C(C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001257223712 858127194 /nfs/dbraw/zinc/12/71/94/858127194.db2.gz XLFXVCWJEUTPKB-QGZVFWFLSA-N 2 1 350.507 0.728 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](C1CC[NH+](C(C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001257223712 858127199 /nfs/dbraw/zinc/12/71/99/858127199.db2.gz XLFXVCWJEUTPKB-QGZVFWFLSA-N 2 1 350.507 0.728 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001257925076 858165503 /nfs/dbraw/zinc/16/55/03/858165503.db2.gz CULGAWNFQAYYDJ-HNNXBMFYSA-N 2 1 363.524 0.099 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)C[NH+]1CCOCC1 ZINC001258363625 858192130 /nfs/dbraw/zinc/19/21/30/858192130.db2.gz GGOPUPTYYFJVFH-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001261502540 858570318 /nfs/dbraw/zinc/57/03/18/858570318.db2.gz PQQSNGSPAXDROL-OAHLLOKOSA-N 2 1 357.520 0.344 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001261502539 858570326 /nfs/dbraw/zinc/57/03/26/858570326.db2.gz PQQSNGSPAXDROL-HNNXBMFYSA-N 2 1 357.520 0.344 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001261853283 858686094 /nfs/dbraw/zinc/68/60/94/858686094.db2.gz CQYXOSYNJMGEML-UHFFFAOYSA-N 2 1 367.519 0.564 20 0 FCADMP CONC(=O)C1CC[NH+](CCC[NH+]2CCC(C(=O)NOC)CC2)CC1 ZINC001262020510 858759289 /nfs/dbraw/zinc/75/92/89/858759289.db2.gz CODGLYIEEGYRNT-UHFFFAOYSA-N 2 1 356.467 0.156 20 0 FCADMP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046563 858765597 /nfs/dbraw/zinc/76/55/97/858765597.db2.gz SSSVERNJICTCAE-QZTJIDSGSA-N 2 1 352.523 0.679 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001263095427 859098797 /nfs/dbraw/zinc/09/87/97/859098797.db2.gz LTJPGOMCGOGBCC-QGZVFWFLSA-N 2 1 366.531 0.924 20 0 FCADMP CSCC[C@H]([NH3+])CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001263094671 859098842 /nfs/dbraw/zinc/09/88/42/859098842.db2.gz OELSONRIAZEHQH-HNNXBMFYSA-N 2 1 356.536 0.614 20 0 FCADMP CSCC[C@H]([NH3+])CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001263094671 859098850 /nfs/dbraw/zinc/09/88/50/859098850.db2.gz OELSONRIAZEHQH-HNNXBMFYSA-N 2 1 356.536 0.614 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657841 859987415 /nfs/dbraw/zinc/98/74/15/859987415.db2.gz DXRVQXGHVFGPNR-LPHOPBHVSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](CO)n1ccnc1)C2 ZINC001272468353 860161061 /nfs/dbraw/zinc/16/10/61/860161061.db2.gz YMHKUDRVLGTVOG-ILXRZTDVSA-N 2 1 361.471 0.914 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001273514557 860515615 /nfs/dbraw/zinc/51/56/15/860515615.db2.gz IJNFPQMLIRQRMX-HZPDHXFCSA-N 2 1 355.527 0.815 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273514557 860515616 /nfs/dbraw/zinc/51/56/16/860515616.db2.gz IJNFPQMLIRQRMX-HZPDHXFCSA-N 2 1 355.527 0.815 20 0 FCADMP CC(C)NC(=O)NCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273514557 860515618 /nfs/dbraw/zinc/51/56/18/860515618.db2.gz IJNFPQMLIRQRMX-HZPDHXFCSA-N 2 1 355.527 0.815 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666123 860561443 /nfs/dbraw/zinc/56/14/43/860561443.db2.gz HAEITOVHMFNHBR-HNNXBMFYSA-N 2 1 368.547 0.483 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273667013 860562760 /nfs/dbraw/zinc/56/27/60/860562760.db2.gz ZGVQUBYESLPTEG-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)[C@@H]3CCC[N@@H+](C)C3)(C1)CCC2 ZINC001273834147 860613369 /nfs/dbraw/zinc/61/33/69/860613369.db2.gz BOFKAMXMVSGUON-LZQZEXGQSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001274405256 860743804 /nfs/dbraw/zinc/74/38/04/860743804.db2.gz RGSBLCFDALCKNQ-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001274405256 860743805 /nfs/dbraw/zinc/74/38/05/860743805.db2.gz RGSBLCFDALCKNQ-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)CCCN1CC[NH+](C)CC1)C2 ZINC001274516628 860767725 /nfs/dbraw/zinc/76/77/25/860767725.db2.gz WCCYCNBUYAXJNN-MSOLQXFVSA-N 2 1 351.539 0.108 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)(C1)CCC2 ZINC001274909011 860869638 /nfs/dbraw/zinc/86/96/38/860869638.db2.gz RYBMHZVICQTCCZ-UOVPBQLFSA-N 2 1 355.479 0.223 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H](O)C[N@H+]3C)(C1)CCC2 ZINC001274909011 860869641 /nfs/dbraw/zinc/86/96/41/860869641.db2.gz RYBMHZVICQTCCZ-UOVPBQLFSA-N 2 1 355.479 0.223 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cnc(N)s3)C2)C1=O ZINC001275732824 861174147 /nfs/dbraw/zinc/17/41/47/861174147.db2.gz JAMHVTYXSUGHED-MRXNPFEDSA-N 2 1 351.476 0.628 20 0 FCADMP CC1(C)OC[C@H](CN2CC3(C[NH+](CC4CC[NH2+]CC4)C3)OCC2=O)O1 ZINC001275737270 861180896 /nfs/dbraw/zinc/18/08/96/861180896.db2.gz JFAQNFZCLISKEP-HNNXBMFYSA-N 2 1 353.463 0.051 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738455 861181994 /nfs/dbraw/zinc/18/19/94/861181994.db2.gz ZPBXCDSJRXSQAP-KRWDZBQOSA-N 2 1 357.520 0.345 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(C[NH+](C[C@H]4CCOC4)C3)O2)CC1 ZINC001279892377 863118669 /nfs/dbraw/zinc/11/86/69/863118669.db2.gz GPWHGWWLWMLSLP-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=S)NCC[NH+](C)C)C[C@H]2CC1 ZINC001279975014 863160709 /nfs/dbraw/zinc/16/07/09/863160709.db2.gz ATZODNYILNQWQU-GASCZTMLSA-N 2 1 355.552 0.155 20 0 FCADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001280019888 863191238 /nfs/dbraw/zinc/19/12/38/863191238.db2.gz BBPGZQORLGZSAC-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP COCCOC[N@H+]1CCCC2(CCN([C@H](COC)C(=O)OC)CC2)C1 ZINC001280052299 863220295 /nfs/dbraw/zinc/22/02/95/863220295.db2.gz IGIKULRFPALWDK-MRXNPFEDSA-N 2 1 358.479 0.973 20 0 FCADMP COC(C)(C)C[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CCN3CC4)[C@H]2C1 ZINC001280056631 863227333 /nfs/dbraw/zinc/22/73/33/863227333.db2.gz SNTBASMZVFZOON-ULQDDVLXSA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280056631 863227353 /nfs/dbraw/zinc/22/73/53/863227353.db2.gz SNTBASMZVFZOON-ULQDDVLXSA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280056631 863227367 /nfs/dbraw/zinc/22/73/67/863227367.db2.gz SNTBASMZVFZOON-ULQDDVLXSA-N 2 1 351.491 0.807 20 0 FCADMP C[NH+]1CCC(N2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)CC1 ZINC001280070993 863242392 /nfs/dbraw/zinc/24/23/92/863242392.db2.gz IJGVRXCMWMNNEY-STQMWFEESA-N 2 1 350.385 0.738 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C[C@H](CC(=O)N3CCC([NH+](C)C)CC3)O[C@H]2C1 ZINC001280218201 863343414 /nfs/dbraw/zinc/34/34/14/863343414.db2.gz GYEQIQIHJUBIDY-NXHRZFHOSA-N 2 1 352.523 0.580 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C[C@H](CC(=O)N3CCC([NH+](C)C)CC3)O[C@H]2C1 ZINC001280218201 863343428 /nfs/dbraw/zinc/34/34/28/863343428.db2.gz GYEQIQIHJUBIDY-NXHRZFHOSA-N 2 1 352.523 0.580 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CC12C[NH+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001280237147 863354125 /nfs/dbraw/zinc/35/41/25/863354125.db2.gz MCORBEVYECWFJG-HNNXBMFYSA-N 2 1 350.507 0.635 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280262101 863368732 /nfs/dbraw/zinc/36/87/32/863368732.db2.gz XXPKJZYHGVUQFT-LSDHHAIUSA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCSC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280262101 863368740 /nfs/dbraw/zinc/36/87/40/863368740.db2.gz XXPKJZYHGVUQFT-LSDHHAIUSA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCSC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280262101 863368745 /nfs/dbraw/zinc/36/87/45/863368745.db2.gz XXPKJZYHGVUQFT-LSDHHAIUSA-N 2 1 368.547 0.340 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001289847349 865295758 /nfs/dbraw/zinc/29/57/58/865295758.db2.gz XPTKNSWFLCNIFS-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001349064957 866222684 /nfs/dbraw/zinc/22/26/84/866222684.db2.gz LVWGVFNZGGJMAX-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001349064957 866222707 /nfs/dbraw/zinc/22/27/07/866222707.db2.gz LVWGVFNZGGJMAX-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001349064957 866222718 /nfs/dbraw/zinc/22/27/18/866222718.db2.gz LVWGVFNZGGJMAX-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001349064957 866222731 /nfs/dbraw/zinc/22/27/31/866222731.db2.gz LVWGVFNZGGJMAX-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP [NH3+]Cc1nc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cs1 ZINC001349398343 866330265 /nfs/dbraw/zinc/33/02/65/866330265.db2.gz INDWPHPDGAKYDC-VXGBXAGGSA-N 2 1 351.476 0.322 20 0 FCADMP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1C[NH+](C)CCN1C ZINC001349466301 866348303 /nfs/dbraw/zinc/34/83/03/866348303.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001349466301 866348315 /nfs/dbraw/zinc/34/83/15/866348315.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1CN(C)CCN1C ZINC001349466301 866348366 /nfs/dbraw/zinc/34/83/66/866348366.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 1 355.527 0.109 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001349617645 866396138 /nfs/dbraw/zinc/39/61/38/866396138.db2.gz QAVDNTZMGOXBCI-HNNXBMFYSA-N 2 1 354.520 0.094 20 0 FCADMP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC001350205509 866530892 /nfs/dbraw/zinc/53/08/92/866530892.db2.gz XOJFSQFHNQQZRX-WTXIUTQJSA-N 2 1 351.495 0.463 20 0 FCADMP C/C(=C\C(=O)NCC[N@@H+]1CC[C@H](C)C1)C(=O)NCC[NH+]1CC[C@H](C)C1 ZINC001351512858 866888164 /nfs/dbraw/zinc/88/81/64/866888164.db2.gz OVMAWEKUBZUEBZ-KVEHIFQYSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001351512858 866888179 /nfs/dbraw/zinc/88/81/79/866888179.db2.gz OVMAWEKUBZUEBZ-KVEHIFQYSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C\C(=O)NCC[NH+]1CC[C@H](C)C1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001351512858 866888192 /nfs/dbraw/zinc/88/81/92/866888192.db2.gz OVMAWEKUBZUEBZ-KVEHIFQYSA-N 2 1 350.507 0.849 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC001353150565 867361242 /nfs/dbraw/zinc/36/12/42/867361242.db2.gz UGLVLGFWGANHHF-CABCVRRESA-N 2 1 360.449 0.144 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC001353150570 867361525 /nfs/dbraw/zinc/36/15/25/867361525.db2.gz UGLVLGFWGANHHF-HUUCEWRRSA-N 2 1 360.449 0.144 20 0 FCADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458407 867427683 /nfs/dbraw/zinc/42/76/83/867427683.db2.gz REOMPSFHCSWAFJ-HZPDHXFCSA-N 2 1 354.495 0.291 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001353583058 867451931 /nfs/dbraw/zinc/45/19/31/867451931.db2.gz QPLGXCNUSAQTRC-UHFFFAOYSA-N 2 1 351.495 0.419 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316755044 867453400 /nfs/dbraw/zinc/45/34/00/867453400.db2.gz CIGXTQFXKDQMDO-CVEARBPZSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)CSCC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC001319234473 867863225 /nfs/dbraw/zinc/86/32/25/867863225.db2.gz LGPXDSIAIIHYHR-HOTGVXAUSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001356254199 867964433 /nfs/dbraw/zinc/96/44/33/867964433.db2.gz SDLHVCFPOQHIDS-SWLSCSKDSA-N 2 1 351.520 0.974 20 0 FCADMP CCN(C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CC[NH2+]CC1 ZINC001356473331 868008594 /nfs/dbraw/zinc/00/85/94/868008594.db2.gz RCOIDSDKSVPLSR-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[NH2+]CCN3C)CC2)cs1 ZINC001357404937 868109570 /nfs/dbraw/zinc/10/95/70/868109570.db2.gz QEDRBFFOSQZDMF-MRXNPFEDSA-N 2 1 365.547 0.937 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001357668149 868144772 /nfs/dbraw/zinc/14/47/72/868144772.db2.gz LCEQSQMZZKKFBM-ZDUSSCGKSA-N 2 1 365.444 0.854 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546642 868511041 /nfs/dbraw/zinc/51/10/41/868511041.db2.gz HNEVHHDLXSHDCI-YOEHRIQHSA-N 2 1 354.520 0.237 20 0 FCADMP OC[C@H]1C[NH+](CCOCC[N@H+]2CCC(F)(F)[C@@H](CO)C2)CCC1(F)F ZINC001323999217 869442511 /nfs/dbraw/zinc/44/25/11/869442511.db2.gz LJZZUSADMJBHLT-ZIAGYGMSSA-N 2 1 372.403 0.902 20 0 FCADMP CS(=O)(=O)C1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCC1 ZINC001324984462 869736937 /nfs/dbraw/zinc/73/69/37/869736937.db2.gz DYODZYDVTKMBIJ-UHFFFAOYSA-N 2 1 359.536 0.340 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001325428717 869889897 /nfs/dbraw/zinc/88/98/97/869889897.db2.gz RTTILPBXKJSWLM-CQSZACIVSA-N 2 1 352.504 0.549 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326035500 870148687 /nfs/dbraw/zinc/14/86/87/870148687.db2.gz KBZUHEYIMJMZFZ-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1(C)C ZINC001326356913 870271475 /nfs/dbraw/zinc/27/14/75/870271475.db2.gz OVHIBVZAGVVKOJ-KBXCAEBGSA-N 2 1 354.495 0.188 20 0 FCADMP [NH3+]C[C@@H](O)CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001343453625 870436851 /nfs/dbraw/zinc/43/68/51/870436851.db2.gz QTHUBRQOXWVNEJ-AWEZNQCLSA-N 2 1 354.882 0.678 20 0 FCADMP CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)[C@@H]1CCC[NH2+]C1 ZINC001343715972 870568471 /nfs/dbraw/zinc/56/84/71/870568471.db2.gz GNYOGKIOSFPQEP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC001344784716 871026214 /nfs/dbraw/zinc/02/62/14/871026214.db2.gz PPFUSMRWHSGJIS-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001328923946 871715992 /nfs/dbraw/zinc/71/59/92/871715992.db2.gz WBMRUWDCWYEQLE-GJZGRUSLSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001328923946 871715996 /nfs/dbraw/zinc/71/59/96/871715996.db2.gz WBMRUWDCWYEQLE-GJZGRUSLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)CC2)CC1 ZINC001329065601 871805651 /nfs/dbraw/zinc/80/56/51/871805651.db2.gz FKGRIHMIRYEKMK-WMZOPIPTSA-N 2 1 353.507 0.384 20 0 FCADMP COC(=O)c1csc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC001329315535 871949393 /nfs/dbraw/zinc/94/93/93/871949393.db2.gz IXILNHNPXLCOPV-UHFFFAOYSA-N 2 1 350.448 0.535 20 0 FCADMP C[C@]1(CO)C[NH+](CCC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC001329931571 872371613 /nfs/dbraw/zinc/37/16/13/872371613.db2.gz WOUMLFOVXWESGR-QGFMHUBQSA-N 2 1 358.523 0.002 20 0 FCADMP C[C@]1(CO)C[NH+](CCC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC001329931571 872371629 /nfs/dbraw/zinc/37/16/29/872371629.db2.gz WOUMLFOVXWESGR-QGFMHUBQSA-N 2 1 358.523 0.002 20 0 FCADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348663070 872757231 /nfs/dbraw/zinc/75/72/31/872757231.db2.gz GPEJFTFCBJFQIF-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001330866753 872852326 /nfs/dbraw/zinc/85/23/26/872852326.db2.gz KJLDOIDBMOWJRC-SJORKVTESA-N 2 1 367.515 0.429 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001331194656 873002727 /nfs/dbraw/zinc/00/27/27/873002727.db2.gz CKRPUJWLONGDHQ-QAQDUYKDSA-N 2 1 350.507 0.955 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001333161820 873829372 /nfs/dbraw/zinc/82/93/72/873829372.db2.gz SWNONFJODDUINA-KRWDZBQOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575264205 949422071 /nfs/dbraw/zinc/42/20/71/949422071.db2.gz MWRGDUYSARDFMJ-BBRMVZONSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711268 949529990 /nfs/dbraw/zinc/52/99/90/949529990.db2.gz FOSQCFGYUNGDFZ-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711268 949530006 /nfs/dbraw/zinc/53/00/06/949530006.db2.gz FOSQCFGYUNGDFZ-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570973972 950398885 /nfs/dbraw/zinc/39/88/85/950398885.db2.gz IVHMFOKLPKMTAM-CVEARBPZSA-N 2 1 355.446 0.651 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576199190 950419156 /nfs/dbraw/zinc/41/91/56/950419156.db2.gz XCFVKFZXSZSMFD-CQSZACIVSA-N 2 1 372.477 0.888 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199267 950419198 /nfs/dbraw/zinc/41/91/98/950419198.db2.gz YATITKUTTGKQOG-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204763 950474273 /nfs/dbraw/zinc/47/42/73/950474273.db2.gz BYUAGJIQCVEQQX-CZUORRHYSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205313 950506074 /nfs/dbraw/zinc/50/60/74/950506074.db2.gz XBUASUBLEQMPJU-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205313 950506093 /nfs/dbraw/zinc/50/60/93/950506093.db2.gz XBUASUBLEQMPJU-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205313 950506106 /nfs/dbraw/zinc/50/61/06/950506106.db2.gz XBUASUBLEQMPJU-GDBMZVCRSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576206260 950568421 /nfs/dbraw/zinc/56/84/21/950568421.db2.gz VVEZZJRWZHVHHS-ZIAGYGMSSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208705 950617131 /nfs/dbraw/zinc/61/71/31/950617131.db2.gz TZKCEKGVDRUELL-MELADBBJSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105243 951892582 /nfs/dbraw/zinc/89/25/82/951892582.db2.gz IHGXHCGHPHYCSW-CZUORRHYSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105243 951892590 /nfs/dbraw/zinc/89/25/90/951892590.db2.gz IHGXHCGHPHYCSW-CZUORRHYSA-N 2 1 373.461 0.039 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575109559 951931764 /nfs/dbraw/zinc/93/17/64/951931764.db2.gz SMSKOZRZGKHHIU-BBRMVZONSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113770 951944888 /nfs/dbraw/zinc/94/48/88/951944888.db2.gz FXCYNMVULDIFAO-ZFWWWQNUSA-N 2 1 357.462 0.660 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571063197 951965008 /nfs/dbraw/zinc/96/50/08/951965008.db2.gz JSYOOBJCKFHQQQ-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077495 952119555 /nfs/dbraw/zinc/11/95/55/952119555.db2.gz BWZFLUOEMGCIGH-ZFWWWQNUSA-N 2 1 370.461 0.749 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575147791 952200996 /nfs/dbraw/zinc/20/09/96/952200996.db2.gz WDRATCWXXZILQY-LBPRGKRZSA-N 2 1 358.450 0.427 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571105101 952388063 /nfs/dbraw/zinc/38/80/63/952388063.db2.gz HQXREFNTBOOPQQ-GOEBONIOSA-N 2 1 373.436 0.791 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294365864 214240053 /nfs/dbraw/zinc/24/00/53/214240053.db2.gz BCXUMCIAXDNRAX-QGZVFWFLSA-N 2 1 370.457 0.940 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294365864 214240057 /nfs/dbraw/zinc/24/00/57/214240057.db2.gz BCXUMCIAXDNRAX-QGZVFWFLSA-N 2 1 370.457 0.940 20 0 FCADMP Cc1ccccc1[C@@H](N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000295215738 214284934 /nfs/dbraw/zinc/28/49/34/214284934.db2.gz QMULGTBCHHQXJR-MAUKXSAKSA-N 2 1 360.458 0.044 20 0 FCADMP C[C@H](O)C[NH+](CCO)Cc1cc(Cl)cc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000295272024 214287762 /nfs/dbraw/zinc/28/77/62/214287762.db2.gz ZHEBSXJRHFVXDC-GJZGRUSLSA-N 2 1 374.909 0.690 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1cc(C[N@H+](CCO)C[C@H](C)O)ccc1F ZINC000295256985 214288459 /nfs/dbraw/zinc/28/84/59/214288459.db2.gz XOPYMAONCGVCIQ-LSDHHAIUSA-N 2 1 358.454 0.176 20 0 FCADMP C[C@@H](O)C[N@@H+](CCO)Cc1cc(C[NH+](CCO)C[C@H](C)O)ccc1F ZINC000295256985 214288462 /nfs/dbraw/zinc/28/84/62/214288462.db2.gz XOPYMAONCGVCIQ-LSDHHAIUSA-N 2 1 358.454 0.176 20 0 FCADMP C[C@@H](O)C[N@H+](CCO)Cc1cc(C[NH+](CCO)C[C@H](C)O)ccc1F ZINC000295256985 214288464 /nfs/dbraw/zinc/28/84/64/214288464.db2.gz XOPYMAONCGVCIQ-LSDHHAIUSA-N 2 1 358.454 0.176 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cn2)C1 ZINC000291509065 214039599 /nfs/dbraw/zinc/03/95/99/214039599.db2.gz QDLYGVRYPOWQRP-CABCVRRESA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)nc2)C1 ZINC000291509065 214039600 /nfs/dbraw/zinc/03/96/00/214039600.db2.gz QDLYGVRYPOWQRP-CABCVRRESA-N 2 1 359.474 0.445 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)nc2)C1 ZINC000291509065 214039602 /nfs/dbraw/zinc/03/96/02/214039602.db2.gz QDLYGVRYPOWQRP-CABCVRRESA-N 2 1 359.474 0.445 20 0 FCADMP CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000291474042 214036919 /nfs/dbraw/zinc/03/69/19/214036919.db2.gz POMGRRJLHJZAPW-OKZBNKHCSA-N 2 1 366.531 0.883 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000410779294 529798940 /nfs/dbraw/zinc/79/89/40/529798940.db2.gz IQKHBVASEDLQJO-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410431414 529861132 /nfs/dbraw/zinc/86/11/32/529861132.db2.gz HEMZLIWMDDSYSH-KRWDZBQOSA-N 2 1 350.507 0.731 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410556163 529886373 /nfs/dbraw/zinc/88/63/73/529886373.db2.gz JJLCOPCQDQDYME-QGZVFWFLSA-N 2 1 366.506 0.111 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410557888 529886427 /nfs/dbraw/zinc/88/64/27/529886427.db2.gz OZVHWURLDQMRPL-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000930743594 674054396 /nfs/dbraw/zinc/05/43/96/674054396.db2.gz PVAXPUZRQVUJSV-UHFFFAOYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000331669851 215031037 /nfs/dbraw/zinc/03/10/37/215031037.db2.gz ZOORYXATQYXBSL-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000331669851 215031038 /nfs/dbraw/zinc/03/10/38/215031038.db2.gz ZOORYXATQYXBSL-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000331669851 215031041 /nfs/dbraw/zinc/03/10/41/215031041.db2.gz ZOORYXATQYXBSL-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000331669851 215031043 /nfs/dbraw/zinc/03/10/43/215031043.db2.gz ZOORYXATQYXBSL-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[NH+](C)C1 ZINC000331700983 215036272 /nfs/dbraw/zinc/03/62/72/215036272.db2.gz XYKDXMDKUBEMFZ-LUKYLMHMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)[N@H+](C)C1 ZINC000331700983 215036275 /nfs/dbraw/zinc/03/62/75/215036275.db2.gz XYKDXMDKUBEMFZ-LUKYLMHMSA-N 2 1 366.506 0.107 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)[N@@H+](C)C1 ZINC000331700983 215036278 /nfs/dbraw/zinc/03/62/78/215036278.db2.gz XYKDXMDKUBEMFZ-LUKYLMHMSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000331727520 215040431 /nfs/dbraw/zinc/04/04/31/215040431.db2.gz YMMDXBGQXBPMJH-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000331727520 215040433 /nfs/dbraw/zinc/04/04/33/215040433.db2.gz YMMDXBGQXBPMJH-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000331727520 215040435 /nfs/dbraw/zinc/04/04/35/215040435.db2.gz YMMDXBGQXBPMJH-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000331770817 215045112 /nfs/dbraw/zinc/04/51/12/215045112.db2.gz IDVOGNKJVHAVFZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000331791950 215047384 /nfs/dbraw/zinc/04/73/84/215047384.db2.gz KLRHLUULHLLAIZ-NXHRZFHOSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000331791950 215047386 /nfs/dbraw/zinc/04/73/86/215047386.db2.gz KLRHLUULHLLAIZ-NXHRZFHOSA-N 2 1 358.486 0.567 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331847641 215055203 /nfs/dbraw/zinc/05/52/03/215055203.db2.gz GNMHKHXQROGDAR-KRWDZBQOSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331847641 215055207 /nfs/dbraw/zinc/05/52/07/215055207.db2.gz GNMHKHXQROGDAR-KRWDZBQOSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000331891006 215064178 /nfs/dbraw/zinc/06/41/78/215064178.db2.gz GNTZJMPUDFRTGM-TWMKSMIVSA-N 2 1 350.507 0.809 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC[C@H]21 ZINC000332059763 215084397 /nfs/dbraw/zinc/08/43/97/215084397.db2.gz XGBSKAMWKMQWRX-IXDOHACOSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000332076620 215087897 /nfs/dbraw/zinc/08/78/97/215087897.db2.gz ZEUDVFAAYIOJFV-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1[NH3+] ZINC000332296595 215125481 /nfs/dbraw/zinc/12/54/81/215125481.db2.gz OWEBVGZEHRPWDE-NVXWUHKLSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1[NH3+] ZINC000332296595 215125485 /nfs/dbraw/zinc/12/54/85/215125485.db2.gz OWEBVGZEHRPWDE-NVXWUHKLSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334819 215132452 /nfs/dbraw/zinc/13/24/52/215132452.db2.gz VNXJZVYKCULIQX-DZJNRPSUSA-N 2 1 358.486 0.738 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000332552728 215178773 /nfs/dbraw/zinc/17/87/73/215178773.db2.gz QGIUFXSWQIFFHQ-OAGGEKHMSA-N 2 1 366.506 0.141 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@]3(CCO[C@H]3C)C2)C1 ZINC000332932512 215219254 /nfs/dbraw/zinc/21/92/54/215219254.db2.gz IIXQTDDFXJASCX-SCTDSRPQSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000333140424 215240694 /nfs/dbraw/zinc/24/06/94/215240694.db2.gz CXEMCHHLJNBSHI-ZACQAIPSSA-N 2 1 360.506 0.971 20 0 FCADMP CC(C)[N@H+]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C1 ZINC000333661432 215306929 /nfs/dbraw/zinc/30/69/29/215306929.db2.gz WMCNEQAGXYOFEA-IRXDYDNUSA-N 2 1 368.522 0.896 20 0 FCADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C1 ZINC000333661432 215306930 /nfs/dbraw/zinc/30/69/30/215306930.db2.gz WMCNEQAGXYOFEA-IRXDYDNUSA-N 2 1 368.522 0.896 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333669707 215308261 /nfs/dbraw/zinc/30/82/61/215308261.db2.gz MWQRDVKGKASGDA-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C1 ZINC000333707846 215309995 /nfs/dbraw/zinc/30/99/95/215309995.db2.gz RVAWEJPVZLBWOX-ABHNRTSZSA-N 2 1 367.538 0.693 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000333771956 215317242 /nfs/dbraw/zinc/31/72/42/215317242.db2.gz CDHXFGVQBBGBNS-QGZVFWFLSA-N 2 1 365.522 0.700 20 0 FCADMP [NH3+]C[C@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCCC1 ZINC000333816657 215321287 /nfs/dbraw/zinc/32/12/87/215321287.db2.gz KEPYNNYFYMEATR-HOTGVXAUSA-N 2 1 351.495 0.500 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333864552 215325599 /nfs/dbraw/zinc/32/55/99/215325599.db2.gz SRRUOYHFUWRWLP-QAPCUYQASA-N 2 1 351.495 0.324 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333877990 215327007 /nfs/dbraw/zinc/32/70/07/215327007.db2.gz QXAMQERZLJDBNV-INIZCTEOSA-N 2 1 352.479 0.357 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000333877990 215327010 /nfs/dbraw/zinc/32/70/10/215327010.db2.gz QXAMQERZLJDBNV-INIZCTEOSA-N 2 1 352.479 0.357 20 0 FCADMP C[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000333937901 215332069 /nfs/dbraw/zinc/33/20/69/215332069.db2.gz LZBSRFMDIMHSSC-ZDUSSCGKSA-N 2 1 350.488 0.879 20 0 FCADMP C[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000333937901 215332071 /nfs/dbraw/zinc/33/20/71/215332071.db2.gz LZBSRFMDIMHSSC-ZDUSSCGKSA-N 2 1 350.488 0.879 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000333951126 215333343 /nfs/dbraw/zinc/33/33/43/215333343.db2.gz YQUVQIFEWZRZSN-DLBZAZTESA-N 2 1 365.522 0.714 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000360573848 215364819 /nfs/dbraw/zinc/36/48/19/215364819.db2.gz ULJQZWRYNDXJFS-HUUCEWRRSA-N 2 1 353.467 0.584 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000360573846 215365072 /nfs/dbraw/zinc/36/50/72/215365072.db2.gz ULJQZWRYNDXJFS-CABCVRRESA-N 2 1 353.467 0.584 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000361013894 215378828 /nfs/dbraw/zinc/37/88/28/215378828.db2.gz WQTVKSRDDBJOIE-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000361013894 215378831 /nfs/dbraw/zinc/37/88/31/215378831.db2.gz WQTVKSRDDBJOIE-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000361013894 215378835 /nfs/dbraw/zinc/37/88/35/215378835.db2.gz WQTVKSRDDBJOIE-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285460416 213345335 /nfs/dbraw/zinc/34/53/35/213345335.db2.gz GVIOEVPVZQWPQV-ATZDWAIDSA-N 2 1 361.486 0.847 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285460416 213345338 /nfs/dbraw/zinc/34/53/38/213345338.db2.gz GVIOEVPVZQWPQV-ATZDWAIDSA-N 2 1 361.486 0.847 20 0 FCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285197599 213300599 /nfs/dbraw/zinc/30/05/99/213300599.db2.gz VPXUUSCRXCTMFY-UHFFFAOYSA-N 2 1 364.465 0.926 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)Cc2ccccc2C1 ZINC000285092324 213281576 /nfs/dbraw/zinc/28/15/76/213281576.db2.gz PPLBLMAYIAWVTQ-UHFFFAOYSA-N 2 1 358.486 0.412 20 0 FCADMP CN(Cc1nccn1C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000284981725 213261255 /nfs/dbraw/zinc/26/12/55/213261255.db2.gz SJCDFHVGWQMTCL-CQSZACIVSA-N 2 1 359.430 0.925 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccco1 ZINC000284499436 213155148 /nfs/dbraw/zinc/15/51/48/213155148.db2.gz SBMODHLVUXOYCS-BZUAXINKSA-N 2 1 362.474 0.941 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccco1 ZINC000284499436 213155153 /nfs/dbraw/zinc/15/51/53/213155153.db2.gz SBMODHLVUXOYCS-BZUAXINKSA-N 2 1 362.474 0.941 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284446559 213142315 /nfs/dbraw/zinc/14/23/15/213142315.db2.gz PNZHPDQHRGHYJX-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000284446559 213142319 /nfs/dbraw/zinc/14/23/19/213142319.db2.gz PNZHPDQHRGHYJX-CABCVRRESA-N 2 1 350.463 0.847 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1ccco1 ZINC000284407261 213132592 /nfs/dbraw/zinc/13/25/92/213132592.db2.gz NLJBGTJNHXXCFW-OAHLLOKOSA-N 2 1 350.463 0.989 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)c1ccco1 ZINC000284407261 213132595 /nfs/dbraw/zinc/13/25/95/213132595.db2.gz NLJBGTJNHXXCFW-OAHLLOKOSA-N 2 1 350.463 0.989 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000284391740 213129130 /nfs/dbraw/zinc/12/91/30/213129130.db2.gz MQTNNZBEAXZGTR-OAHLLOKOSA-N 2 1 366.462 0.226 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000284392816 213128592 /nfs/dbraw/zinc/12/85/92/213128592.db2.gz SPWGBMAHGRIDSZ-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000284392816 213128595 /nfs/dbraw/zinc/12/85/95/213128595.db2.gz SPWGBMAHGRIDSZ-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284392816 213128598 /nfs/dbraw/zinc/12/85/98/213128598.db2.gz SPWGBMAHGRIDSZ-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284392816 213128600 /nfs/dbraw/zinc/12/86/00/213128600.db2.gz SPWGBMAHGRIDSZ-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1C[NH+](C)C ZINC000411548533 237006156 /nfs/dbraw/zinc/00/61/56/237006156.db2.gz DZKABJGLVZZTHS-GOSISDBHSA-N 2 1 374.485 0.975 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764497 216026981 /nfs/dbraw/zinc/02/69/81/216026981.db2.gz WAZXMCNXHDCORE-RTBURBONSA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000366764497 216026985 /nfs/dbraw/zinc/02/69/85/216026985.db2.gz WAZXMCNXHDCORE-RTBURBONSA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000366764497 216026989 /nfs/dbraw/zinc/02/69/89/216026989.db2.gz WAZXMCNXHDCORE-RTBURBONSA-N 2 1 361.486 0.631 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367186845 216088920 /nfs/dbraw/zinc/08/89/20/216088920.db2.gz PZDFPLHMJMFMEB-ZWKOTPCHSA-N 2 1 369.554 0.622 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000367752104 216157758 /nfs/dbraw/zinc/15/77/58/216157758.db2.gz PLYRUCDCQUHXMF-ZBFHGGJFSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246713832 209398147 /nfs/dbraw/zinc/39/81/47/209398147.db2.gz FKPDVROZBNEKSB-SQNIBIBYSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246713832 209398151 /nfs/dbraw/zinc/39/81/51/209398151.db2.gz FKPDVROZBNEKSB-SQNIBIBYSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246713832 209398155 /nfs/dbraw/zinc/39/81/55/209398155.db2.gz FKPDVROZBNEKSB-SQNIBIBYSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246713832 209398158 /nfs/dbraw/zinc/39/81/58/209398158.db2.gz FKPDVROZBNEKSB-SQNIBIBYSA-N 2 1 372.517 0.930 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000246503664 209389876 /nfs/dbraw/zinc/38/98/76/209389876.db2.gz SUDIQHQXWRVSGJ-HOTGVXAUSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246503664 209389879 /nfs/dbraw/zinc/38/98/79/209389879.db2.gz SUDIQHQXWRVSGJ-HOTGVXAUSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246503664 209389884 /nfs/dbraw/zinc/38/98/84/209389884.db2.gz SUDIQHQXWRVSGJ-HOTGVXAUSA-N 2 1 353.511 0.522 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000246449648 209388032 /nfs/dbraw/zinc/38/80/32/209388032.db2.gz OLRQIVDOHXXCJD-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000246419854 209387186 /nfs/dbraw/zinc/38/71/86/209387186.db2.gz LYSSRJGZJFQLJL-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000246419854 209387193 /nfs/dbraw/zinc/38/71/93/209387193.db2.gz LYSSRJGZJFQLJL-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1=O ZINC000246450158 209386230 /nfs/dbraw/zinc/38/62/30/209386230.db2.gz OQMHGXROJLBBME-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000246450158 209386235 /nfs/dbraw/zinc/38/62/35/209386235.db2.gz OQMHGXROJLBBME-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000246450158 209386237 /nfs/dbraw/zinc/38/62/37/209386237.db2.gz OQMHGXROJLBBME-JFIYKMOQSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@@H]1C[NH2+]CCO1 ZINC000237904632 209361095 /nfs/dbraw/zinc/36/10/95/209361095.db2.gz SQSBQBDDFOCTJE-KRWDZBQOSA-N 2 1 366.893 0.957 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000237909221 209360809 /nfs/dbraw/zinc/36/08/09/209360809.db2.gz MYPHIENRBCIMHI-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237913281 209360393 /nfs/dbraw/zinc/36/03/93/209360393.db2.gz MVKHTFALXUXOGF-QZTJIDSGSA-N 2 1 374.485 0.201 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237913281 209360397 /nfs/dbraw/zinc/36/03/97/209360397.db2.gz MVKHTFALXUXOGF-QZTJIDSGSA-N 2 1 374.485 0.201 20 0 FCADMP CS(=O)(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000237323028 209351307 /nfs/dbraw/zinc/35/13/07/209351307.db2.gz WVMNUNOBVKXKSX-DLBZAZTESA-N 2 1 367.515 0.919 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1=O ZINC000236832136 209344480 /nfs/dbraw/zinc/34/44/80/209344480.db2.gz MIHMTKQMTQCBLF-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000236770371 209343296 /nfs/dbraw/zinc/34/32/96/209343296.db2.gz RXDPQTISNSXWJT-SFHVURJKSA-N 2 1 362.474 0.947 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663142 209342549 /nfs/dbraw/zinc/34/25/49/209342549.db2.gz OQEYEUHSSUVXRE-TWMKSMIVSA-N 2 1 368.522 0.434 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663142 209342553 /nfs/dbraw/zinc/34/25/53/209342553.db2.gz OQEYEUHSSUVXRE-TWMKSMIVSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@H]1COCCN1CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192757282 209305670 /nfs/dbraw/zinc/30/56/70/209305670.db2.gz ASLIAZNIZPTZHU-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1CC(C)(C)O ZINC000368704757 216284825 /nfs/dbraw/zinc/28/48/25/216284825.db2.gz UNBDIPBXQRHAFG-BZUAXINKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704757 216284827 /nfs/dbraw/zinc/28/48/27/216284827.db2.gz UNBDIPBXQRHAFG-BZUAXINKSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704757 216284830 /nfs/dbraw/zinc/28/48/30/216284830.db2.gz UNBDIPBXQRHAFG-BZUAXINKSA-N 2 1 354.495 0.336 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCOC[C@H]3C)CC2)CC1 ZINC000191489271 209286317 /nfs/dbraw/zinc/28/63/17/209286317.db2.gz CFNXZNOLBCBBOG-GOSISDBHSA-N 2 1 366.550 0.973 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368992162 216329617 /nfs/dbraw/zinc/32/96/17/216329617.db2.gz MDGITJPZOZXKGZ-DLBZAZTESA-N 2 1 365.522 0.809 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036872 216335777 /nfs/dbraw/zinc/33/57/77/216335777.db2.gz RTXRWNMEUNHEDJ-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035859 216336590 /nfs/dbraw/zinc/33/65/90/216336590.db2.gz JQDBYEDMNXKOTK-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035859 216336594 /nfs/dbraw/zinc/33/65/94/216336594.db2.gz JQDBYEDMNXKOTK-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036874 216336630 /nfs/dbraw/zinc/33/66/30/216336630.db2.gz RTXRWNMEUNHEDJ-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369392307 216393719 /nfs/dbraw/zinc/39/37/19/216393719.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369392307 216393723 /nfs/dbraw/zinc/39/37/23/216393723.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369392307 216393724 /nfs/dbraw/zinc/39/37/24/216393724.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369392307 216393726 /nfs/dbraw/zinc/39/37/26/216393726.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369392307 216393728 /nfs/dbraw/zinc/39/37/28/216393728.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000189562864 209255949 /nfs/dbraw/zinc/25/59/49/209255949.db2.gz XDGBEVNGEHYRCI-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000188796819 209239542 /nfs/dbraw/zinc/23/95/42/209239542.db2.gz YDMQKVDIMBGKRO-HNNXBMFYSA-N 2 1 368.485 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000188356559 209227702 /nfs/dbraw/zinc/22/77/02/209227702.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CCN1CC(C)(C)O ZINC000188356559 209227706 /nfs/dbraw/zinc/22/77/06/209227706.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435653 674115002 /nfs/dbraw/zinc/11/50/02/674115002.db2.gz BMCSVJAXONEILU-YUDROITISA-N 2 1 353.488 0.850 20 0 FCADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435653 674115006 /nfs/dbraw/zinc/11/50/06/674115006.db2.gz BMCSVJAXONEILU-YUDROITISA-N 2 1 353.488 0.850 20 0 FCADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435653 674115009 /nfs/dbraw/zinc/11/50/09/674115009.db2.gz BMCSVJAXONEILU-YUDROITISA-N 2 1 353.488 0.850 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000373287303 217004220 /nfs/dbraw/zinc/00/42/20/217004220.db2.gz VAKLTAXHHCQRHB-INIZCTEOSA-N 2 1 368.522 0.992 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000414675956 245310869 /nfs/dbraw/zinc/31/08/69/245310869.db2.gz MPXKGUALUDKODB-OAHLLOKOSA-N 2 1 362.449 0.781 20 0 FCADMP CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739815 245319115 /nfs/dbraw/zinc/31/91/15/245319115.db2.gz QHDXNFYPOSKVQD-MRXNPFEDSA-N 2 1 364.465 0.961 20 0 FCADMP CCOC(=O)[C@]1(COC)CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414760190 245322975 /nfs/dbraw/zinc/32/29/75/245322975.db2.gz GONKCNDPZAWQNR-CRAIPNDOSA-N 2 1 355.479 0.475 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415067782 245345463 /nfs/dbraw/zinc/34/54/63/245345463.db2.gz PQPCJWRJHYXNNO-CYBMUJFWSA-N 2 1 363.462 0.942 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000415075173 245345506 /nfs/dbraw/zinc/34/55/06/245345506.db2.gz BBECVKCXPWAMAX-KGLIPLIRSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000415075173 245345510 /nfs/dbraw/zinc/34/55/10/245345510.db2.gz BBECVKCXPWAMAX-KGLIPLIRSA-N 2 1 362.474 0.948 20 0 FCADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000414981714 245337186 /nfs/dbraw/zinc/33/71/86/245337186.db2.gz RCESGYSFAIDBDW-HNNXBMFYSA-N 2 1 351.447 0.760 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933203 217076523 /nfs/dbraw/zinc/07/65/23/217076523.db2.gz IDAGERVLUFZNDE-CQSZACIVSA-N 2 1 366.487 0.232 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000374251893 217113863 /nfs/dbraw/zinc/11/38/63/217113863.db2.gz ZZCXGMAXZIQMKR-IAGOWNOFSA-N 2 1 367.538 0.253 20 0 FCADMP COCCO[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000374617585 217148534 /nfs/dbraw/zinc/14/85/34/217148534.db2.gz HVFWNLSUQYIGGE-SJLPKXTDSA-N 2 1 368.522 0.992 20 0 FCADMP CC(C)(CNC(=O)CN1CCSC2(CCOCC2)C1)N1CCOCC1 ZINC000375220465 217233625 /nfs/dbraw/zinc/23/36/25/217233625.db2.gz LZCSUSZFQMPRLD-UHFFFAOYSA-N 2 1 371.547 0.811 20 0 FCADMP COCC[NH+](CCOC)C1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000375738960 217305766 /nfs/dbraw/zinc/30/57/66/217305766.db2.gz VLFNQXYKSRGKNV-KDURUIRLSA-N 2 1 355.523 0.909 20 0 FCADMP COCC[NH+](CCOC)C1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000375738960 217305769 /nfs/dbraw/zinc/30/57/69/217305769.db2.gz VLFNQXYKSRGKNV-KDURUIRLSA-N 2 1 355.523 0.909 20 0 FCADMP C[C@](O)(CNC(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCOCC1 ZINC000418441880 245786265 /nfs/dbraw/zinc/78/62/65/245786265.db2.gz JCQUAZHSNSQIEJ-SFHVURJKSA-N 2 1 356.511 0.681 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376323539 217384429 /nfs/dbraw/zinc/38/44/29/217384429.db2.gz QLPMVHNOININRC-WBVHZDCISA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376613278 217421497 /nfs/dbraw/zinc/42/14/97/217421497.db2.gz ODSANRVISAXYKQ-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419123185 245998129 /nfs/dbraw/zinc/99/81/29/245998129.db2.gz VHSSVFDBVKMIDT-UAGQMJEPSA-N 2 1 368.522 0.435 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000419130227 246004490 /nfs/dbraw/zinc/00/44/90/246004490.db2.gz DZBGMXZCBSULJR-SFHVURJKSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419129475 246005511 /nfs/dbraw/zinc/00/55/11/246005511.db2.gz DDWDLXUKVUJWRN-WIYYLYMNSA-N 2 1 370.497 0.979 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000419131641 246006981 /nfs/dbraw/zinc/00/69/81/246006981.db2.gz CYYNFMPMHJYUMT-KRWDZBQOSA-N 2 1 352.523 0.929 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419135396 246009832 /nfs/dbraw/zinc/00/98/32/246009832.db2.gz MMRNKOPKPFOQLB-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419139981 246010812 /nfs/dbraw/zinc/01/08/12/246010812.db2.gz VGHHEGQWXHGRNE-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419139976 246011447 /nfs/dbraw/zinc/01/14/47/246011447.db2.gz VGHHEGQWXHGRNE-FXAWDEMLSA-N 2 1 358.486 0.965 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419140337 246011710 /nfs/dbraw/zinc/01/17/10/246011710.db2.gz VRJAKILRQHCHAY-GOSISDBHSA-N 2 1 356.470 0.803 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419149724 246017272 /nfs/dbraw/zinc/01/72/72/246017272.db2.gz LGPACHSFELIMOT-GFCCVEGCSA-N 2 1 374.457 0.787 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419149724 246017276 /nfs/dbraw/zinc/01/72/76/246017276.db2.gz LGPACHSFELIMOT-GFCCVEGCSA-N 2 1 374.457 0.787 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165214 246028422 /nfs/dbraw/zinc/02/84/22/246028422.db2.gz FZKKCNJBXLSCCH-ROUUACIJSA-N 2 1 360.502 0.767 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169099 246029994 /nfs/dbraw/zinc/02/99/94/246029994.db2.gz UFLORPHMBYKQIV-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419166897 246030966 /nfs/dbraw/zinc/03/09/66/246030966.db2.gz HZKLRNJRXMTCMF-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170847 246033036 /nfs/dbraw/zinc/03/30/36/246033036.db2.gz OBHVGHOQWOHZOD-AEFFLSMTSA-N 2 1 358.486 0.521 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170849 246033362 /nfs/dbraw/zinc/03/33/62/246033362.db2.gz OBHVGHOQWOHZOD-SJLPKXTDSA-N 2 1 358.486 0.521 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419170576 246033538 /nfs/dbraw/zinc/03/35/38/246033538.db2.gz NWIZKTUCAFQYAG-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419176466 246035150 /nfs/dbraw/zinc/03/51/50/246035150.db2.gz ZFQLJXNJRGDOGC-HOTGVXAUSA-N 2 1 354.495 0.333 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213453 246059797 /nfs/dbraw/zinc/05/97/97/246059797.db2.gz WKMGUPIKXMUNMR-STQMWFEESA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213453 246059800 /nfs/dbraw/zinc/05/98/00/246059800.db2.gz WKMGUPIKXMUNMR-STQMWFEESA-N 2 1 366.428 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419223449 246062618 /nfs/dbraw/zinc/06/26/18/246062618.db2.gz CYOBNQLIYGSBQM-NXHRZFHOSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224208 246064121 /nfs/dbraw/zinc/06/41/21/246064121.db2.gz FKEBZOAVZHZOIB-HIFRSBDPSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224208 246064124 /nfs/dbraw/zinc/06/41/24/246064124.db2.gz FKEBZOAVZHZOIB-HIFRSBDPSA-N 2 1 368.428 0.723 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419226910 246065872 /nfs/dbraw/zinc/06/58/72/246065872.db2.gz FAGJPGAHOIHLFN-UONOGXRCSA-N 2 1 364.515 0.679 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419226910 246065879 /nfs/dbraw/zinc/06/58/79/246065879.db2.gz FAGJPGAHOIHLFN-UONOGXRCSA-N 2 1 364.515 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228606 246066533 /nfs/dbraw/zinc/06/65/33/246066533.db2.gz MLVAIFVONPNJSL-SOLBZPMBSA-N 2 1 358.486 0.834 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419270234 246083537 /nfs/dbraw/zinc/08/35/37/246083537.db2.gz QKLYHDKALVIHRX-KRWDZBQOSA-N 2 1 360.458 0.003 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419229097 246068490 /nfs/dbraw/zinc/06/84/90/246068490.db2.gz NNWHFQZIXBZGQO-NJAFHUGGSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419233880 246069899 /nfs/dbraw/zinc/06/98/99/246069899.db2.gz WVPZNORLGKCKKC-BHYGNILZSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419234394 246070313 /nfs/dbraw/zinc/07/03/13/246070313.db2.gz LXEMODYQDIQPDG-CHWSQXEVSA-N 2 1 350.488 0.418 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419234394 246070316 /nfs/dbraw/zinc/07/03/16/246070316.db2.gz LXEMODYQDIQPDG-CHWSQXEVSA-N 2 1 350.488 0.418 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419231319 246070851 /nfs/dbraw/zinc/07/08/51/246070851.db2.gz JUXLSODNMTTZDC-CYBMUJFWSA-N 2 1 362.499 0.647 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419231319 246070858 /nfs/dbraw/zinc/07/08/58/246070858.db2.gz JUXLSODNMTTZDC-CYBMUJFWSA-N 2 1 362.499 0.647 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419236784 246073676 /nfs/dbraw/zinc/07/36/76/246073676.db2.gz OCWWWGSZORGHQX-GJYPPUQNSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419236784 246073679 /nfs/dbraw/zinc/07/36/79/246073679.db2.gz OCWWWGSZORGHQX-GJYPPUQNSA-N 2 1 372.513 0.993 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419242358 246075211 /nfs/dbraw/zinc/07/52/11/246075211.db2.gz HSELRXGOICDHTK-VQFNDLOPSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419249305 246076211 /nfs/dbraw/zinc/07/62/11/246076211.db2.gz YOTRFTCQGXBDKM-YRGRVCCFSA-N 2 1 350.488 0.417 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419249305 246076217 /nfs/dbraw/zinc/07/62/17/246076217.db2.gz YOTRFTCQGXBDKM-YRGRVCCFSA-N 2 1 350.488 0.417 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329935 246100011 /nfs/dbraw/zinc/10/00/11/246100011.db2.gz HKHXSDZRZAOWRK-UOAMXJAYSA-N 2 1 374.460 0.678 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000419301712 246090598 /nfs/dbraw/zinc/09/05/98/246090598.db2.gz OIXWJRBCKFUZJF-INIZCTEOSA-N 2 1 362.474 0.058 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000419390819 246130229 /nfs/dbraw/zinc/13/02/29/246130229.db2.gz JIGHWPZSPBUKNJ-UHFFFAOYSA-N 2 1 358.486 0.619 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000419390819 246130234 /nfs/dbraw/zinc/13/02/34/246130234.db2.gz JIGHWPZSPBUKNJ-UHFFFAOYSA-N 2 1 358.486 0.619 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419396010 246132607 /nfs/dbraw/zinc/13/26/07/246132607.db2.gz RUHUHLXQUWZANP-PBHICJAKSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419396010 246132612 /nfs/dbraw/zinc/13/26/12/246132612.db2.gz RUHUHLXQUWZANP-PBHICJAKSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399706 246135149 /nfs/dbraw/zinc/13/51/49/246135149.db2.gz KEZPGGIMYXJYBO-WBAXXEDZSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000419398134 246135387 /nfs/dbraw/zinc/13/53/87/246135387.db2.gz WLDKVUBBPLCGGT-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404615 246139197 /nfs/dbraw/zinc/13/91/97/246139197.db2.gz UDVDWCZNGREINA-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419432619 246161441 /nfs/dbraw/zinc/16/14/41/246161441.db2.gz YHVSRPLSLYZPDF-MOPGFXCFSA-N 2 1 370.497 0.904 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505658 246184491 /nfs/dbraw/zinc/18/44/91/246184491.db2.gz MFUVVTPLXNBPSV-CRAIPNDOSA-N 2 1 373.501 0.167 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419510042 246185122 /nfs/dbraw/zinc/18/51/22/246185122.db2.gz GLLWXLMRBMRDSR-CABCVRRESA-N 2 1 364.446 0.027 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000419510053 246185617 /nfs/dbraw/zinc/18/56/17/246185617.db2.gz GMQCJQSDBZUCIZ-GJZGRUSLSA-N 2 1 350.463 0.941 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419523780 246190248 /nfs/dbraw/zinc/19/02/48/246190248.db2.gz BFBFLVSGLOWCGY-FZCLSBEQSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419452090 246171669 /nfs/dbraw/zinc/17/16/69/246171669.db2.gz OMQRTGFJFKOSNO-IAGOWNOFSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419454969 246172011 /nfs/dbraw/zinc/17/20/11/246172011.db2.gz VOQJFHCHTWIYKB-HOTGVXAUSA-N 2 1 361.490 0.024 20 0 FCADMP C[C@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470497 246172780 /nfs/dbraw/zinc/17/27/80/246172780.db2.gz FLRXDFROEZVNAS-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419475854 246176128 /nfs/dbraw/zinc/17/61/28/246176128.db2.gz FNNWHGZHEBEGQM-BBWFWOEESA-N 2 1 352.523 0.929 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419564897 246204577 /nfs/dbraw/zinc/20/45/77/246204577.db2.gz YEXJPWXZBZONBR-UAGQMJEPSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419564897 246204581 /nfs/dbraw/zinc/20/45/81/246204581.db2.gz YEXJPWXZBZONBR-UAGQMJEPSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000419587729 246212568 /nfs/dbraw/zinc/21/25/68/246212568.db2.gz NSPOQMCPFXCYAC-XOKHGSTOSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419535430 246195146 /nfs/dbraw/zinc/19/51/46/246195146.db2.gz RYHLJDFGCPZNAJ-OXFYSEKESA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419537716 246195834 /nfs/dbraw/zinc/19/58/34/246195834.db2.gz WECGFHCJWXNHDA-NJAFHUGGSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCC[N@H+]1C ZINC000419561750 246202314 /nfs/dbraw/zinc/20/23/14/246202314.db2.gz UCYAEQDDFROWFU-TWMKSMIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419704103 246258882 /nfs/dbraw/zinc/25/88/82/246258882.db2.gz GABRMOHQNWYGNA-WRWLIDTKSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419722493 246270542 /nfs/dbraw/zinc/27/05/42/246270542.db2.gz MHUYUOOYEGHMJX-UHFFFAOYSA-N 2 1 368.428 0.723 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419719221 246267929 /nfs/dbraw/zinc/26/79/29/246267929.db2.gz GDMNKVJZPFTRBP-UHFFFAOYSA-N 2 1 354.495 0.254 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000419755983 246287105 /nfs/dbraw/zinc/28/71/05/246287105.db2.gz ADRWVJJFQCIDCD-YJBOKZPZSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758236 246287723 /nfs/dbraw/zinc/28/77/23/246287723.db2.gz JQGJVKKZLYKODJ-HIFRSBDPSA-N 2 1 350.438 0.569 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000419766918 246290267 /nfs/dbraw/zinc/29/02/67/246290267.db2.gz ZMNFMYZJVPELDO-YOEHRIQHSA-N 2 1 364.465 0.960 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000419778218 246292954 /nfs/dbraw/zinc/29/29/54/246292954.db2.gz OHANXDMOKLTSPR-ZNMIVQPWSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000419801060 246299638 /nfs/dbraw/zinc/29/96/38/246299638.db2.gz JFARVUACTMTOSF-CQSZACIVSA-N 2 1 354.495 0.068 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000419801060 246299641 /nfs/dbraw/zinc/29/96/41/246299641.db2.gz JFARVUACTMTOSF-CQSZACIVSA-N 2 1 354.495 0.068 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419854411 246324190 /nfs/dbraw/zinc/32/41/90/246324190.db2.gz GIAPXGFHIPTGSI-VQHPVUNQSA-N 2 1 366.506 0.202 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419865508 246334938 /nfs/dbraw/zinc/33/49/38/246334938.db2.gz PHQXPZPBGWULAU-QGZVFWFLSA-N 2 1 358.486 0.963 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419865508 246334941 /nfs/dbraw/zinc/33/49/41/246334941.db2.gz PHQXPZPBGWULAU-QGZVFWFLSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419915312 246365009 /nfs/dbraw/zinc/36/50/09/246365009.db2.gz XDPBAOASIJIKKY-JZXOWHBKSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419915312 246365016 /nfs/dbraw/zinc/36/50/16/246365016.db2.gz XDPBAOASIJIKKY-JZXOWHBKSA-N 2 1 358.486 0.976 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000419930191 246373558 /nfs/dbraw/zinc/37/35/58/246373558.db2.gz AJKSDVLDEOEKEW-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000419930191 246373564 /nfs/dbraw/zinc/37/35/64/246373564.db2.gz AJKSDVLDEOEKEW-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419877985 246346991 /nfs/dbraw/zinc/34/69/91/246346991.db2.gz RICOZKRVXYYEBE-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419881814 246347355 /nfs/dbraw/zinc/34/73/55/246347355.db2.gz UOYVVSJEVODQHU-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419890570 246353767 /nfs/dbraw/zinc/35/37/67/246353767.db2.gz TVPQXKDGEKIDNS-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000419891079 246354114 /nfs/dbraw/zinc/35/41/14/246354114.db2.gz TXMOCWLVVLYRIS-GOSISDBHSA-N 2 1 366.465 0.962 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419897687 246357789 /nfs/dbraw/zinc/35/77/89/246357789.db2.gz VYEZCGAXXCXVCN-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419897687 246357794 /nfs/dbraw/zinc/35/77/94/246357794.db2.gz VYEZCGAXXCXVCN-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000419948268 246382799 /nfs/dbraw/zinc/38/27/99/246382799.db2.gz FHAVASUVKQXLKA-HOTGVXAUSA-N 2 1 356.511 0.435 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000419948268 246382806 /nfs/dbraw/zinc/38/28/06/246382806.db2.gz FHAVASUVKQXLKA-HOTGVXAUSA-N 2 1 356.511 0.435 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419954613 246384853 /nfs/dbraw/zinc/38/48/53/246384853.db2.gz MHIZCORRCWCNCV-GOSISDBHSA-N 2 1 360.502 0.863 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000419967922 246394751 /nfs/dbraw/zinc/39/47/51/246394751.db2.gz OYZNCNSTMOVOKR-RDJZCZTQSA-N 2 1 366.506 0.191 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000419969331 246394869 /nfs/dbraw/zinc/39/48/69/246394869.db2.gz RWBAPEUKYGCLHB-KRWDZBQOSA-N 2 1 366.506 0.333 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423364399 247013525 /nfs/dbraw/zinc/01/35/25/247013525.db2.gz AOCIBYCPSARUHB-NUJGCVRESA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423364399 247013528 /nfs/dbraw/zinc/01/35/28/247013528.db2.gz AOCIBYCPSARUHB-NUJGCVRESA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423364145 247013668 /nfs/dbraw/zinc/01/36/68/247013668.db2.gz ATYVIUTYZOTETJ-AEFFLSMTSA-N 2 1 358.486 0.917 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@@H+]1C ZINC000423393091 247017505 /nfs/dbraw/zinc/01/75/05/247017505.db2.gz YGMHVQHLOSZVEH-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@H+]1C ZINC000423393091 247017515 /nfs/dbraw/zinc/01/75/15/247017515.db2.gz YGMHVQHLOSZVEH-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423392781 247018941 /nfs/dbraw/zinc/01/89/41/247018941.db2.gz QMUFCMDZZSEIDT-CQSZACIVSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423424437 247023724 /nfs/dbraw/zinc/02/37/24/247023724.db2.gz FPGDLJZFXUDPBA-NXOAAHMSSA-N 2 1 350.507 0.763 20 0 FCADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000423558893 247052388 /nfs/dbraw/zinc/05/23/88/247052388.db2.gz LOCFGNXXQKFUND-MOPGFXCFSA-N 2 1 370.497 0.931 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000423484599 247035893 /nfs/dbraw/zinc/03/58/93/247035893.db2.gz AAKCDKFMKMRNCW-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000423484599 247035901 /nfs/dbraw/zinc/03/59/01/247035901.db2.gz AAKCDKFMKMRNCW-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423501800 247037488 /nfs/dbraw/zinc/03/74/88/247037488.db2.gz DTUJPLFZWSKDJJ-ZWKOTPCHSA-N 2 1 374.485 0.296 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423501800 247037495 /nfs/dbraw/zinc/03/74/95/247037495.db2.gz DTUJPLFZWSKDJJ-ZWKOTPCHSA-N 2 1 374.485 0.296 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423519783 247041239 /nfs/dbraw/zinc/04/12/39/247041239.db2.gz DPRSOGXUDMCJMT-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423519783 247041243 /nfs/dbraw/zinc/04/12/43/247041243.db2.gz DPRSOGXUDMCJMT-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532136 247043623 /nfs/dbraw/zinc/04/36/23/247043623.db2.gz UTTUYVYCUMRXTC-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423532136 247043627 /nfs/dbraw/zinc/04/36/27/247043627.db2.gz UTTUYVYCUMRXTC-BRWVUGGUSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423688432 247110254 /nfs/dbraw/zinc/11/02/54/247110254.db2.gz WUYUNNVHDONQPN-DOTOQJQBSA-N 3 1 367.538 0.199 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423688432 247110257 /nfs/dbraw/zinc/11/02/57/247110257.db2.gz WUYUNNVHDONQPN-DOTOQJQBSA-N 3 1 367.538 0.199 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000423694027 247113255 /nfs/dbraw/zinc/11/32/55/247113255.db2.gz FOXQZQDTQPXFKN-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000423694027 247113261 /nfs/dbraw/zinc/11/32/61/247113261.db2.gz FOXQZQDTQPXFKN-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423607128 247072512 /nfs/dbraw/zinc/07/25/12/247072512.db2.gz IWVWHHVMYWMTDX-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423607128 247072517 /nfs/dbraw/zinc/07/25/17/247072517.db2.gz IWVWHHVMYWMTDX-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423620322 247078414 /nfs/dbraw/zinc/07/84/14/247078414.db2.gz WNJLFGWXNRQRMG-KZNAEPCWSA-N 2 1 356.470 0.527 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423625126 247081804 /nfs/dbraw/zinc/08/18/04/247081804.db2.gz QPGAQXILCUHMOA-HNNXBMFYSA-N 2 1 364.515 0.775 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640262 247088190 /nfs/dbraw/zinc/08/81/90/247088190.db2.gz WDEBKBAOKYPEGF-FXAWDEMLSA-N 2 1 356.470 0.671 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423666498 247102193 /nfs/dbraw/zinc/10/21/93/247102193.db2.gz MHPBCHLJNABTAT-JQHSSLGASA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423666498 247102195 /nfs/dbraw/zinc/10/21/95/247102195.db2.gz MHPBCHLJNABTAT-JQHSSLGASA-N 2 1 358.486 0.567 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423796944 247141273 /nfs/dbraw/zinc/14/12/73/247141273.db2.gz MHSZSJWLDDRNEM-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000423792885 247142884 /nfs/dbraw/zinc/14/28/84/247142884.db2.gz WLNCQRAHXIMLKJ-HNNXBMFYSA-N 2 1 363.462 0.058 20 0 FCADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423810732 247143539 /nfs/dbraw/zinc/14/35/39/247143539.db2.gz BEMBSDMUNLLXAQ-RHSMWYFYSA-N 2 1 354.401 0.680 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423810732 247143542 /nfs/dbraw/zinc/14/35/42/247143542.db2.gz BEMBSDMUNLLXAQ-RHSMWYFYSA-N 2 1 354.401 0.680 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@H](C)C1 ZINC000423858945 247146979 /nfs/dbraw/zinc/14/69/79/247146979.db2.gz FILCLDXVKGMXGI-OAHLLOKOSA-N 3 1 354.495 0.286 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@H](C)C1 ZINC000423858945 247146982 /nfs/dbraw/zinc/14/69/82/247146982.db2.gz FILCLDXVKGMXGI-OAHLLOKOSA-N 3 1 354.495 0.286 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@H]1C ZINC000423901631 247148718 /nfs/dbraw/zinc/14/87/18/247148718.db2.gz UAQNBYVOVQRGLE-OAHLLOKOSA-N 3 1 354.495 0.286 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@H]1C ZINC000423901631 247148723 /nfs/dbraw/zinc/14/87/23/247148723.db2.gz UAQNBYVOVQRGLE-OAHLLOKOSA-N 3 1 354.495 0.286 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000423902160 247148803 /nfs/dbraw/zinc/14/88/03/247148803.db2.gz UTDGYJKAGRXENQ-BBRMVZONSA-N 2 1 351.422 0.964 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000423902160 247148809 /nfs/dbraw/zinc/14/88/09/247148809.db2.gz UTDGYJKAGRXENQ-BBRMVZONSA-N 2 1 351.422 0.964 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc[nH+]1 ZINC000423923017 247150355 /nfs/dbraw/zinc/15/03/55/247150355.db2.gz KMNMGLPEIYSRFA-FLTUCWPJSA-N 2 1 362.453 0.575 20 0 FCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423921769 247150418 /nfs/dbraw/zinc/15/04/18/247150418.db2.gz IQKPXSUSSBLZSI-CRWXNKLISA-N 2 1 352.458 0.901 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000423915017 247151216 /nfs/dbraw/zinc/15/12/16/247151216.db2.gz ARHLBOFUUWOLOG-RQJABVFESA-N 2 1 350.442 0.703 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000423703273 247116547 /nfs/dbraw/zinc/11/65/47/247116547.db2.gz BRVUCRQRSLYWON-NEWSRXKRSA-N 2 1 372.513 0.815 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000423703273 247116549 /nfs/dbraw/zinc/11/65/49/247116549.db2.gz BRVUCRQRSLYWON-NEWSRXKRSA-N 2 1 372.513 0.815 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423716664 247122844 /nfs/dbraw/zinc/12/28/44/247122844.db2.gz ANNJLYXWNMXKPX-BBWFWOEESA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423716664 247122846 /nfs/dbraw/zinc/12/28/46/247122846.db2.gz ANNJLYXWNMXKPX-BBWFWOEESA-N 2 1 368.522 0.532 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423718951 247124132 /nfs/dbraw/zinc/12/41/32/247124132.db2.gz LZXMYIQTNQDSAM-UZLBHIALSA-N 2 1 358.486 0.917 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)c1 ZINC000423726059 247129218 /nfs/dbraw/zinc/12/92/18/247129218.db2.gz IAFKNQIZXPKIPL-JKSUJKDBSA-N 2 1 359.474 0.624 20 0 FCADMP COCC[C@@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC[NH2+]C1 ZINC000423740240 247134231 /nfs/dbraw/zinc/13/42/31/247134231.db2.gz IRXYXUVBISNCHB-HKUYNNGSSA-N 2 1 352.523 0.631 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000423741893 247135349 /nfs/dbraw/zinc/13/53/49/247135349.db2.gz YMYLWPRFGLMNTG-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000423741893 247135352 /nfs/dbraw/zinc/13/53/52/247135352.db2.gz YMYLWPRFGLMNTG-QRVBRYPASA-N 2 1 370.497 0.930 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423742056 247135603 /nfs/dbraw/zinc/13/56/03/247135603.db2.gz UDCRXPPDSOQPIM-WDSOQIARSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423742056 247135606 /nfs/dbraw/zinc/13/56/06/247135606.db2.gz UDCRXPPDSOQPIM-WDSOQIARSA-N 2 1 372.513 0.958 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000424214224 247178894 /nfs/dbraw/zinc/17/88/94/247178894.db2.gz CCNIMSWQTWICPM-AWEZNQCLSA-N 2 1 350.467 0.385 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000424494542 247239037 /nfs/dbraw/zinc/23/90/37/247239037.db2.gz NQSBCYOUNZQJSX-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526468 247252889 /nfs/dbraw/zinc/25/28/89/247252889.db2.gz CKIJZCXVGZZOHS-GJZGRUSLSA-N 2 1 363.462 0.056 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1=O ZINC000424526468 247252892 /nfs/dbraw/zinc/25/28/92/247252892.db2.gz CKIJZCXVGZZOHS-GJZGRUSLSA-N 2 1 363.462 0.056 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1=O ZINC000425054673 247287483 /nfs/dbraw/zinc/28/74/83/247287483.db2.gz FQHKSUDMBIZZRG-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1=O ZINC000425054673 247287485 /nfs/dbraw/zinc/28/74/85/247287485.db2.gz FQHKSUDMBIZZRG-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000425054673 247287489 /nfs/dbraw/zinc/28/74/89/247287489.db2.gz FQHKSUDMBIZZRG-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000425390585 247332565 /nfs/dbraw/zinc/33/25/65/247332565.db2.gz QZFSFBBBWYRVBV-UHFFFAOYSA-N 2 1 354.495 0.110 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000435562918 248000682 /nfs/dbraw/zinc/00/06/82/248000682.db2.gz JVNAHIZPVBHFIR-HOTGVXAUSA-N 2 1 361.490 0.612 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000435562918 248000685 /nfs/dbraw/zinc/00/06/85/248000685.db2.gz JVNAHIZPVBHFIR-HOTGVXAUSA-N 2 1 361.490 0.612 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(F)cc1 ZINC000436051943 248030119 /nfs/dbraw/zinc/03/01/19/248030119.db2.gz LFQUBEWJIBRUHC-INIZCTEOSA-N 2 1 350.438 0.761 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(F)cc1 ZINC000436051943 248030122 /nfs/dbraw/zinc/03/01/22/248030122.db2.gz LFQUBEWJIBRUHC-INIZCTEOSA-N 2 1 350.438 0.761 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000438897654 248101483 /nfs/dbraw/zinc/10/14/83/248101483.db2.gz UZRFVSKFRKQIDZ-OAHLLOKOSA-N 2 1 361.446 0.642 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000440976827 248228130 /nfs/dbraw/zinc/22/81/30/248228130.db2.gz CWMXBYZCVPEQEM-IRXDYDNUSA-N 2 1 369.554 0.811 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000440982890 248229695 /nfs/dbraw/zinc/22/96/95/248229695.db2.gz QEZPAKUQQLJUKH-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000440982890 248229700 /nfs/dbraw/zinc/22/97/00/248229700.db2.gz QEZPAKUQQLJUKH-INIZCTEOSA-N 2 1 355.527 0.280 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+]1CCSCC1 ZINC000442649369 248294119 /nfs/dbraw/zinc/29/41/19/248294119.db2.gz OAKQSDJURPPSTN-AWEZNQCLSA-N 2 1 356.536 0.340 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000442758036 248295947 /nfs/dbraw/zinc/29/59/47/248295947.db2.gz IFIAKYKAFUOXSJ-GXTWGEPZSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000442758036 248295950 /nfs/dbraw/zinc/29/59/50/248295950.db2.gz IFIAKYKAFUOXSJ-GXTWGEPZSA-N 2 1 351.447 0.998 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000444176398 248349760 /nfs/dbraw/zinc/34/97/60/248349760.db2.gz PDXFJKCMJRXDNW-FXAWDEMLSA-N 2 1 356.470 0.690 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2)C1 ZINC000444168289 248349878 /nfs/dbraw/zinc/34/98/78/248349878.db2.gz NNBZSYOKNCJHFL-DBXWQHBBSA-N 2 1 370.497 1.000 20 0 FCADMP C[C@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444254984 248353157 /nfs/dbraw/zinc/35/31/57/248353157.db2.gz WMSWYCYXMDZLLK-FGTMMUONSA-N 2 1 354.539 0.754 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000446600581 248392684 /nfs/dbraw/zinc/39/26/84/248392684.db2.gz RDNCUHMXZOMAKX-UHFFFAOYSA-N 2 1 354.495 0.653 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000452565916 249322810 /nfs/dbraw/zinc/32/28/10/249322810.db2.gz NKWPUVBEKKZRTB-SIRPWMCASA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000452565916 249322815 /nfs/dbraw/zinc/32/28/15/249322815.db2.gz NKWPUVBEKKZRTB-SIRPWMCASA-N 2 1 352.523 0.783 20 0 FCADMP C[C@H](CCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000452565916 249322820 /nfs/dbraw/zinc/32/28/20/249322820.db2.gz NKWPUVBEKKZRTB-SIRPWMCASA-N 2 1 352.523 0.783 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000270973657 211309853 /nfs/dbraw/zinc/30/98/53/211309853.db2.gz KENYMQUONPNKIA-LSDHHAIUSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@H]1CNC(=O)Cc1occc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000270973657 211309858 /nfs/dbraw/zinc/30/98/58/211309858.db2.gz KENYMQUONPNKIA-LSDHHAIUSA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@H]1CNC(=O)Cc1occc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000270973657 211309860 /nfs/dbraw/zinc/30/98/60/211309860.db2.gz KENYMQUONPNKIA-LSDHHAIUSA-N 2 1 362.474 0.857 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964908 250083735 /nfs/dbraw/zinc/08/37/35/250083735.db2.gz BVBNHXQLIGHFOB-KRWDZBQOSA-N 2 1 362.518 0.731 20 0 FCADMP Cc1cc(N2CCC(NC(=O)NCCOCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000471634553 250109715 /nfs/dbraw/zinc/10/97/15/250109715.db2.gz KMVYIEDYBGTYNC-UHFFFAOYSA-N 2 1 364.494 0.940 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472183938 250137391 /nfs/dbraw/zinc/13/73/91/250137391.db2.gz WNVGBLAMAGCXMD-GOSISDBHSA-N 2 1 354.539 0.973 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932552 211119126 /nfs/dbraw/zinc/11/91/26/211119126.db2.gz USNIPNIJVFWMDN-ZDUSSCGKSA-N 2 1 366.466 0.331 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000472982260 250190882 /nfs/dbraw/zinc/19/08/82/250190882.db2.gz BTRSTWZFEHNBDP-IAGOWNOFSA-N 2 1 355.527 0.375 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000473002032 250193168 /nfs/dbraw/zinc/19/31/68/250193168.db2.gz POSVYJVSLUCKKR-SJORKVTESA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000474084908 250270002 /nfs/dbraw/zinc/27/00/02/250270002.db2.gz ZWVUTQUVYYWQGN-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000473872327 250255080 /nfs/dbraw/zinc/25/50/80/250255080.db2.gz HKJCXDOXGLLTMI-QGZVFWFLSA-N 2 1 370.538 0.878 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000473875168 250255116 /nfs/dbraw/zinc/25/51/16/250255116.db2.gz KIZJOLMNUHVQQL-UHFFFAOYSA-N 2 1 369.554 0.547 20 0 FCADMP CCN(C)C(=O)[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000473924771 250256521 /nfs/dbraw/zinc/25/65/21/250256521.db2.gz WGYAPLGSRSWSNU-HOTGVXAUSA-N 2 1 355.527 0.911 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480879837 250290943 /nfs/dbraw/zinc/29/09/43/250290943.db2.gz LNMVDTHONWNDRH-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000481057450 250311399 /nfs/dbraw/zinc/31/13/99/250311399.db2.gz XDOVWGUCKWDGTB-HRCADAONSA-N 2 1 356.511 0.163 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000481203660 250321810 /nfs/dbraw/zinc/32/18/10/250321810.db2.gz SSRQRFYWCCPTRX-OWCLPIDISA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000481203660 250321816 /nfs/dbraw/zinc/32/18/16/250321816.db2.gz SSRQRFYWCCPTRX-OWCLPIDISA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000481203660 250321820 /nfs/dbraw/zinc/32/18/20/250321820.db2.gz SSRQRFYWCCPTRX-OWCLPIDISA-N 2 1 350.507 0.990 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000482530376 250392400 /nfs/dbraw/zinc/39/24/00/250392400.db2.gz LGQUUHHKCHEUHF-NWDGAFQWSA-N 2 1 360.505 0.652 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000482530376 250392405 /nfs/dbraw/zinc/39/24/05/250392405.db2.gz LGQUUHHKCHEUHF-NWDGAFQWSA-N 2 1 360.505 0.652 20 0 FCADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000269702095 211050632 /nfs/dbraw/zinc/05/06/32/211050632.db2.gz MDWNYQNZUSVKCV-DOMZBBRYSA-N 2 1 365.453 0.348 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413298987 532997108 /nfs/dbraw/zinc/99/71/08/532997108.db2.gz LCBBVHOMUNYMDJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298987 532997111 /nfs/dbraw/zinc/99/71/11/532997111.db2.gz LCBBVHOMUNYMDJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298987 532997117 /nfs/dbraw/zinc/99/71/17/532997117.db2.gz LCBBVHOMUNYMDJ-CABCVRRESA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000076585986 208067646 /nfs/dbraw/zinc/06/76/46/208067646.db2.gz QJFSBVMWMZGMIG-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466076 208088275 /nfs/dbraw/zinc/08/82/75/208088275.db2.gz BGOQWWFJSBFCRL-QAPCUYQASA-N 2 1 373.501 0.898 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(NC(N)=O)CC1 ZINC000079466076 208088280 /nfs/dbraw/zinc/08/82/80/208088280.db2.gz BGOQWWFJSBFCRL-QAPCUYQASA-N 2 1 373.501 0.898 20 0 FCADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961227 208124607 /nfs/dbraw/zinc/12/46/07/208124607.db2.gz PPRBVPQNXJZBCI-VQTJNVASSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961227 208124610 /nfs/dbraw/zinc/12/46/10/208124610.db2.gz PPRBVPQNXJZBCI-VQTJNVASSA-N 2 1 374.529 0.766 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961227 208124616 /nfs/dbraw/zinc/12/46/16/208124616.db2.gz PPRBVPQNXJZBCI-VQTJNVASSA-N 2 1 374.529 0.766 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000089962339 208126189 /nfs/dbraw/zinc/12/61/89/208126189.db2.gz OSYJMGLISNNTEC-NEWSRXKRSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000089962339 208126195 /nfs/dbraw/zinc/12/61/95/208126195.db2.gz OSYJMGLISNNTEC-NEWSRXKRSA-N 2 1 360.502 0.374 20 0 FCADMP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000090401970 208131014 /nfs/dbraw/zinc/13/10/14/208131014.db2.gz JWFODLIZUIFDAA-UHFFFAOYSA-N 2 1 354.472 0.958 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cn2)CC1 ZINC000092070474 208144089 /nfs/dbraw/zinc/14/40/89/208144089.db2.gz PDUJKXCJJNJHCD-INIZCTEOSA-N 2 1 356.478 0.732 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)cn2)CC1 ZINC000092070474 208144094 /nfs/dbraw/zinc/14/40/94/208144094.db2.gz PDUJKXCJJNJHCD-INIZCTEOSA-N 2 1 356.478 0.732 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000093179221 208152501 /nfs/dbraw/zinc/15/25/01/208152501.db2.gz KRVBTQURBJXJRD-UHFFFAOYSA-N 2 1 359.518 0.794 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000106124962 208210869 /nfs/dbraw/zinc/21/08/69/208210869.db2.gz KPBZGWXXHCLBOX-HOTGVXAUSA-N 2 1 368.522 0.090 20 0 FCADMP Cc1cc(=O)n2nc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)sc2n1 ZINC000106125782 208212012 /nfs/dbraw/zinc/21/20/12/208212012.db2.gz VITOLAUZZLLZGT-CYBMUJFWSA-N 2 1 365.503 0.984 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000114171457 208310702 /nfs/dbraw/zinc/31/07/02/208310702.db2.gz UKAIJNKYKALNHF-AWEZNQCLSA-N 2 1 356.430 0.924 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931872655 674149244 /nfs/dbraw/zinc/14/92/44/674149244.db2.gz CJBNCXYQFLQZMQ-MRXNPFEDSA-N 2 1 350.438 0.536 20 0 FCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931872655 674149246 /nfs/dbraw/zinc/14/92/46/674149246.db2.gz CJBNCXYQFLQZMQ-MRXNPFEDSA-N 2 1 350.438 0.536 20 0 FCADMP C[C@@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119839826 208369840 /nfs/dbraw/zinc/36/98/40/208369840.db2.gz NBWAJKHVQXPTFX-LPHOPBHVSA-N 2 1 360.502 0.158 20 0 FCADMP C[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119839826 208369844 /nfs/dbraw/zinc/36/98/44/208369844.db2.gz NBWAJKHVQXPTFX-LPHOPBHVSA-N 2 1 360.502 0.158 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)c2cncc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000118494401 208351138 /nfs/dbraw/zinc/35/11/38/208351138.db2.gz PWNNJJBSSXZDGQ-GJZGRUSLSA-N 2 1 359.474 0.445 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931875713 674149646 /nfs/dbraw/zinc/14/96/46/674149646.db2.gz CXOYRSCMVXNCNH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931875713 674149649 /nfs/dbraw/zinc/14/96/49/674149649.db2.gz CXOYRSCMVXNCNH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000120195046 208377929 /nfs/dbraw/zinc/37/79/29/208377929.db2.gz WYKVYXUYRCEJMA-HNNXBMFYSA-N 2 1 350.467 0.631 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931875713 674149651 /nfs/dbraw/zinc/14/96/51/674149651.db2.gz CXOYRSCMVXNCNH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931875713 674149654 /nfs/dbraw/zinc/14/96/54/674149654.db2.gz CXOYRSCMVXNCNH-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266722825 210390816 /nfs/dbraw/zinc/39/08/16/210390816.db2.gz ZTVJPWADIMVXCK-ZDUSSCGKSA-N 2 1 358.402 0.043 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000931879780 674150073 /nfs/dbraw/zinc/15/00/73/674150073.db2.gz OWDQISISVZNKMG-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000931879780 674150074 /nfs/dbraw/zinc/15/00/74/674150074.db2.gz OWDQISISVZNKMG-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000931883950 674150809 /nfs/dbraw/zinc/15/08/09/674150809.db2.gz WOUKQSJYGCATFN-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000931883950 674150810 /nfs/dbraw/zinc/15/08/10/674150810.db2.gz WOUKQSJYGCATFN-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000177329990 209021408 /nfs/dbraw/zinc/02/14/08/209021408.db2.gz RCYKHNPMERZJRK-QGZVFWFLSA-N 2 1 360.506 0.966 20 0 FCADMP C[NH+]1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000177330003 209021661 /nfs/dbraw/zinc/02/16/61/209021661.db2.gz RCYKHNPMERZJRK-KRWDZBQOSA-N 2 1 360.506 0.966 20 0 FCADMP COC1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]CC1 ZINC000178873076 209064077 /nfs/dbraw/zinc/06/40/77/209064077.db2.gz LAGBGCGKWZYAEB-UHFFFAOYSA-N 2 1 360.502 0.819 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+](C)C1 ZINC000413052905 533478968 /nfs/dbraw/zinc/47/89/68/533478968.db2.gz IRRMZNYJPWUMCJ-HOTGVXAUSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052905 533478974 /nfs/dbraw/zinc/47/89/74/533478974.db2.gz IRRMZNYJPWUMCJ-HOTGVXAUSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052905 533478979 /nfs/dbraw/zinc/47/89/79/533478979.db2.gz IRRMZNYJPWUMCJ-HOTGVXAUSA-N 2 1 370.494 0.089 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410439216 230081711 /nfs/dbraw/zinc/08/17/11/230081711.db2.gz VQXOTOIRDPXVSI-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410473342 230093016 /nfs/dbraw/zinc/09/30/16/230093016.db2.gz JFRQFNXKBQMBKB-WBVHZDCISA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410473342 230093019 /nfs/dbraw/zinc/09/30/19/230093019.db2.gz JFRQFNXKBQMBKB-WBVHZDCISA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410473342 230093024 /nfs/dbraw/zinc/09/30/24/230093024.db2.gz JFRQFNXKBQMBKB-WBVHZDCISA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410479386 230097403 /nfs/dbraw/zinc/09/74/03/230097403.db2.gz UAAJZYIUMQQXEX-WBVHZDCISA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363833077 488890866 /nfs/dbraw/zinc/89/08/66/488890866.db2.gz WXGUEOMVACJCDB-NJAFHUGGSA-N 2 1 368.522 0.990 20 0 FCADMP O=C(CC[N@H+]1CCN2C(=O)OC[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000363835700 488890710 /nfs/dbraw/zinc/89/07/10/488890710.db2.gz WLRGYKIAPHSRFP-OAHLLOKOSA-N 2 1 359.430 0.257 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000279381625 488937569 /nfs/dbraw/zinc/93/75/69/488937569.db2.gz YGZWWVOXFVPYSG-OKILXGFUSA-N 2 1 373.457 0.145 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000279381625 488937572 /nfs/dbraw/zinc/93/75/72/488937572.db2.gz YGZWWVOXFVPYSG-OKILXGFUSA-N 2 1 373.457 0.145 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364373381 488952667 /nfs/dbraw/zinc/95/26/67/488952667.db2.gz DQLQVGKYPYPFAH-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043239663 487894088 /nfs/dbraw/zinc/89/40/88/487894088.db2.gz LKPQHQZALFYFQZ-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043239663 487894092 /nfs/dbraw/zinc/89/40/92/487894092.db2.gz LKPQHQZALFYFQZ-SFHVURJKSA-N 2 1 373.501 0.724 20 0 FCADMP CC(C)[C@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000562815631 491191788 /nfs/dbraw/zinc/19/17/88/491191788.db2.gz DNRAHZXJOIZLOO-ZIAGYGMSSA-N 2 1 365.444 0.804 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000562816076 491192150 /nfs/dbraw/zinc/19/21/50/491192150.db2.gz TXLHAYOBNPQLKE-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569795788 491192835 /nfs/dbraw/zinc/19/28/35/491192835.db2.gz OEGJOBOLIIDSTQ-VYDXJSESSA-N 2 1 362.474 0.103 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569795788 491192838 /nfs/dbraw/zinc/19/28/38/491192838.db2.gz OEGJOBOLIIDSTQ-VYDXJSESSA-N 2 1 362.474 0.103 20 0 FCADMP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069440151 488372697 /nfs/dbraw/zinc/37/26/97/488372697.db2.gz CWGOQSKVDPBXKH-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069440151 488372698 /nfs/dbraw/zinc/37/26/98/488372698.db2.gz CWGOQSKVDPBXKH-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@@H](C)[C@H](C)C3)CC2)C[C@H]1C ZINC000072872158 488383280 /nfs/dbraw/zinc/38/32/80/488383280.db2.gz DRRWVBXBLFEDMT-TVFCKZIOSA-N 2 1 364.534 0.833 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602907 488385147 /nfs/dbraw/zinc/38/51/47/488385147.db2.gz OAXUZHMLVWZGSP-IEBWSBKVSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000073602907 488385148 /nfs/dbraw/zinc/38/51/48/488385148.db2.gz OAXUZHMLVWZGSP-IEBWSBKVSA-N 2 1 360.502 0.376 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073638920 488385371 /nfs/dbraw/zinc/38/53/71/488385371.db2.gz HDQFUKXANWMQOT-UHFFFAOYSA-N 2 1 366.506 0.302 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000073619132 488385579 /nfs/dbraw/zinc/38/55/79/488385579.db2.gz IPEQXJWSBPLWHA-SFHVURJKSA-N 2 1 369.554 0.765 20 0 FCADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182962956 488390153 /nfs/dbraw/zinc/39/01/53/488390153.db2.gz VIXFBDARVYLKCJ-UHFFFAOYSA-N 2 1 368.522 0.357 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345237 488391187 /nfs/dbraw/zinc/39/11/87/488391187.db2.gz STQBKRFKHVBWQE-ZBFHGGJFSA-N 2 1 364.494 0.714 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345237 488391189 /nfs/dbraw/zinc/39/11/89/488391189.db2.gz STQBKRFKHVBWQE-ZBFHGGJFSA-N 2 1 364.494 0.714 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000186623161 488407139 /nfs/dbraw/zinc/40/71/39/488407139.db2.gz IDZCKTABXMKJBD-MRXNPFEDSA-N 2 1 367.519 0.696 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000186622689 488407262 /nfs/dbraw/zinc/40/72/62/488407262.db2.gz HKRLOQBBSQUXEV-OAHLLOKOSA-N 2 1 357.524 0.776 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000186622689 488407264 /nfs/dbraw/zinc/40/72/64/488407264.db2.gz HKRLOQBBSQUXEV-OAHLLOKOSA-N 2 1 357.524 0.776 20 0 FCADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000186650977 488407952 /nfs/dbraw/zinc/40/79/52/488407952.db2.gz CRLPNITYBUHMQC-GOSISDBHSA-N 2 1 370.497 0.731 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000076971744 488407965 /nfs/dbraw/zinc/40/79/65/488407965.db2.gz FWQWTIGAPAEFFH-JKSUJKDBSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000076971744 488407966 /nfs/dbraw/zinc/40/79/66/488407966.db2.gz FWQWTIGAPAEFFH-JKSUJKDBSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000076971744 488407967 /nfs/dbraw/zinc/40/79/67/488407967.db2.gz FWQWTIGAPAEFFH-JKSUJKDBSA-N 2 1 365.522 0.890 20 0 FCADMP C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000077817453 488418072 /nfs/dbraw/zinc/41/80/72/488418072.db2.gz QSMXGANOVIOHEC-QGZVFWFLSA-N 2 1 373.501 0.440 20 0 FCADMP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192779594 488424012 /nfs/dbraw/zinc/42/40/12/488424012.db2.gz HIJUQYOTNUNRMU-KRWDZBQOSA-N 2 1 361.552 0.538 20 0 FCADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192779594 488424013 /nfs/dbraw/zinc/42/40/13/488424013.db2.gz HIJUQYOTNUNRMU-KRWDZBQOSA-N 2 1 361.552 0.538 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000192826555 488424431 /nfs/dbraw/zinc/42/44/31/488424431.db2.gz ALEUNSAFMJFGGH-CVEARBPZSA-N 2 1 369.535 0.776 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000079116334 488427118 /nfs/dbraw/zinc/42/71/18/488427118.db2.gz IGKNFKSWRRNHNR-UHFFFAOYSA-N 2 1 353.511 0.762 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000079235381 488428488 /nfs/dbraw/zinc/42/84/88/488428488.db2.gz XEFXKIWAWYJYET-CALCHBBNSA-N 2 1 367.538 0.818 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000079235381 488428491 /nfs/dbraw/zinc/42/84/91/488428491.db2.gz XEFXKIWAWYJYET-CALCHBBNSA-N 2 1 367.538 0.818 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000079432511 488429663 /nfs/dbraw/zinc/42/96/63/488429663.db2.gz IBZWZUXKJPYGQA-UHFFFAOYSA-N 2 1 351.495 0.467 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000079598749 488430998 /nfs/dbraw/zinc/43/09/98/488430998.db2.gz QMMBNTDOQCOAFT-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000079598749 488430999 /nfs/dbraw/zinc/43/09/99/488430999.db2.gz QMMBNTDOQCOAFT-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000080674226 488436966 /nfs/dbraw/zinc/43/69/66/488436966.db2.gz DEKHEIHSLPEEOS-SJORKVTESA-N 2 1 354.495 0.602 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000080674226 488436968 /nfs/dbraw/zinc/43/69/68/488436968.db2.gz DEKHEIHSLPEEOS-SJORKVTESA-N 2 1 354.495 0.602 20 0 FCADMP CCCN(C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268774948 488448721 /nfs/dbraw/zinc/44/87/21/488448721.db2.gz BBCSGLJXMZPSGC-UHFFFAOYSA-N 2 1 355.508 0.770 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000236937603 488453626 /nfs/dbraw/zinc/45/36/26/488453626.db2.gz DYYWYGHBVSGDLN-KRWDZBQOSA-N 2 1 360.458 0.320 20 0 FCADMP C[NH+]1CCC(CNC(=O)C[NH2+]C[C@@H]2CCCO2)(N2CCCCC2)CC1 ZINC000237158946 488454620 /nfs/dbraw/zinc/45/46/20/488454620.db2.gz CTSCUWSWMRJHKY-KRWDZBQOSA-N 2 1 352.523 0.822 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237673920 488456833 /nfs/dbraw/zinc/45/68/33/488456833.db2.gz IMMRYUAPODVEPO-HZPDHXFCSA-N 2 1 363.531 0.803 20 0 FCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246495567 488473800 /nfs/dbraw/zinc/47/38/00/488473800.db2.gz WJAUDXXHPWIPRR-SFNKJDCFSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000246495567 488473801 /nfs/dbraw/zinc/47/38/01/488473801.db2.gz WJAUDXXHPWIPRR-SFNKJDCFSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000246517599 488473830 /nfs/dbraw/zinc/47/38/30/488473830.db2.gz XHGYVCPKNOTWRN-BHIYHBOVSA-N 2 1 370.538 0.879 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000269229309 488480744 /nfs/dbraw/zinc/48/07/44/488480744.db2.gz HAEBZWCPXNPWJF-GOSISDBHSA-N 2 1 374.485 0.459 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248392527 488495127 /nfs/dbraw/zinc/49/51/27/488495127.db2.gz KPOPLYLNAKAPBU-RBUKOAKNSA-N 2 1 361.486 0.503 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000248392527 488495129 /nfs/dbraw/zinc/49/51/29/488495129.db2.gz KPOPLYLNAKAPBU-RBUKOAKNSA-N 2 1 361.486 0.503 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249096848 488505983 /nfs/dbraw/zinc/50/59/83/488505983.db2.gz IPSHJWZAPILTBE-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000249125913 488506645 /nfs/dbraw/zinc/50/66/45/488506645.db2.gz QXSUGCIPVYJBLP-JYJNAYRXSA-N 2 1 356.511 0.582 20 0 FCADMP C[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000249125913 488506648 /nfs/dbraw/zinc/50/66/48/488506648.db2.gz QXSUGCIPVYJBLP-JYJNAYRXSA-N 2 1 356.511 0.582 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000109405900 488523031 /nfs/dbraw/zinc/52/30/31/488523031.db2.gz YZJOQSDDNJPWDE-UHFFFAOYSA-N 2 1 355.527 0.768 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)CC1=O ZINC000261635162 488528378 /nfs/dbraw/zinc/52/83/78/488528378.db2.gz BGHROVBTPUKAEB-RDJZCZTQSA-N 2 1 362.449 0.709 20 0 FCADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000261636760 488528503 /nfs/dbraw/zinc/52/85/03/488528503.db2.gz BRSVAGYAQXGBDZ-INIZCTEOSA-N 2 1 361.490 0.928 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000261796548 488536603 /nfs/dbraw/zinc/53/66/03/488536603.db2.gz ZLUCORGPEJFALY-BBWFWOEESA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000261819587 488536908 /nfs/dbraw/zinc/53/69/08/488536908.db2.gz XUGPUQDJMDIJHI-GDZNZVCISA-N 2 1 368.503 0.570 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000261819587 488536910 /nfs/dbraw/zinc/53/69/10/488536910.db2.gz XUGPUQDJMDIJHI-GDZNZVCISA-N 2 1 368.503 0.570 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC000114018664 488539369 /nfs/dbraw/zinc/53/93/69/488539369.db2.gz CSIJUXHGHGKZOH-IYBDPMFKSA-N 2 1 356.511 0.896 20 0 FCADMP C[C@@](N)(C(=O)N1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000261876987 488539494 /nfs/dbraw/zinc/53/94/94/488539494.db2.gz SWYMVKQSRRPDPV-HNNXBMFYSA-N 2 1 356.264 0.760 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261888012 488540111 /nfs/dbraw/zinc/54/01/11/488540111.db2.gz ZKCNSNYMFPVYMB-QRVBRYPASA-N 2 1 358.486 0.788 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261888012 488540113 /nfs/dbraw/zinc/54/01/13/488540113.db2.gz ZKCNSNYMFPVYMB-QRVBRYPASA-N 2 1 358.486 0.788 20 0 FCADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261919753 488542345 /nfs/dbraw/zinc/54/23/45/488542345.db2.gz KFIYJYXMANCNGE-OTWHNJEPSA-N 2 1 364.534 0.677 20 0 FCADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000262020221 488546438 /nfs/dbraw/zinc/54/64/38/488546438.db2.gz WASKEHZLXIEQGR-HNNXBMFYSA-N 2 1 365.478 0.350 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000116400000 488547534 /nfs/dbraw/zinc/54/75/34/488547534.db2.gz YASKXFJIWCQUBC-YSTOQKLRSA-N 2 1 368.566 0.558 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000117029435 488550280 /nfs/dbraw/zinc/55/02/80/488550280.db2.gz UUFCZKNZSVRPOG-SJORKVTESA-N 2 1 356.511 0.705 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000119133196 488555890 /nfs/dbraw/zinc/55/58/90/488555890.db2.gz QCVNMMKCGFNJMT-LEOMRAHMSA-N 2 1 356.511 0.489 20 0 FCADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000262221169 488557952 /nfs/dbraw/zinc/55/79/52/488557952.db2.gz UOAOGBVXJKRUHA-INIZCTEOSA-N 2 1 359.474 0.862 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000119700109 488558766 /nfs/dbraw/zinc/55/87/66/488558766.db2.gz KEZYQKSYIPRRGR-HOCLYGCPSA-N 2 1 365.522 0.901 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000119700109 488558769 /nfs/dbraw/zinc/55/87/69/488558769.db2.gz KEZYQKSYIPRRGR-HOCLYGCPSA-N 2 1 365.522 0.901 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CC[NH2+]CC1 ZINC000262283110 488561380 /nfs/dbraw/zinc/56/13/80/488561380.db2.gz ZLAQRXIIKCLNFW-UHFFFAOYSA-N 2 1 369.469 0.748 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000120462298 488561724 /nfs/dbraw/zinc/56/17/24/488561724.db2.gz QBCWTVMJZBKEIT-IXDOHACOSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000120462298 488561726 /nfs/dbraw/zinc/56/17/26/488561726.db2.gz QBCWTVMJZBKEIT-IXDOHACOSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000120462298 488561727 /nfs/dbraw/zinc/56/17/27/488561727.db2.gz QBCWTVMJZBKEIT-IXDOHACOSA-N 2 1 367.538 0.911 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262313533 488563472 /nfs/dbraw/zinc/56/34/72/488563472.db2.gz QQNQNCYTWDMVAE-MRXNPFEDSA-N 2 1 360.458 0.830 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262313533 488563473 /nfs/dbraw/zinc/56/34/73/488563473.db2.gz QQNQNCYTWDMVAE-MRXNPFEDSA-N 2 1 360.458 0.830 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120902896 488564037 /nfs/dbraw/zinc/56/40/37/488564037.db2.gz XTWWDKPJUCWJEL-QZTJIDSGSA-N 2 1 351.539 0.251 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000262342589 488565053 /nfs/dbraw/zinc/56/50/53/488565053.db2.gz GIEVAIPNFNBUSZ-GVDBMIGSSA-N 2 1 360.458 0.514 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262375868 488566971 /nfs/dbraw/zinc/56/69/71/488566971.db2.gz MHUCCKOBZOHMKK-QGZVFWFLSA-N 2 1 360.458 0.320 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262375864 488567129 /nfs/dbraw/zinc/56/71/29/488567129.db2.gz MHUCCKOBZOHMKK-KRWDZBQOSA-N 2 1 360.458 0.320 20 0 FCADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262564656 488578193 /nfs/dbraw/zinc/57/81/93/488578193.db2.gz ZRSQZDALJHPOMZ-INIZCTEOSA-N 2 1 374.485 0.663 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000262575299 488578492 /nfs/dbraw/zinc/57/84/92/488578492.db2.gz IHTNYLZSMHWOSA-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000123943370 488588797 /nfs/dbraw/zinc/58/87/97/488588797.db2.gz UYYIRXQMXVRVLR-INIZCTEOSA-N 2 1 367.538 0.864 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000123943370 488588800 /nfs/dbraw/zinc/58/88/00/488588800.db2.gz UYYIRXQMXVRVLR-INIZCTEOSA-N 2 1 367.538 0.864 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806802 488594415 /nfs/dbraw/zinc/59/44/15/488594415.db2.gz PUMPQXRDAKUKIF-IAGOWNOFSA-N 2 1 362.522 0.811 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1 ZINC000124666041 488595157 /nfs/dbraw/zinc/59/51/57/488595157.db2.gz MYEMRMKICKXKHL-HNNXBMFYSA-N 2 1 350.467 0.233 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263259017 488607958 /nfs/dbraw/zinc/60/79/58/488607958.db2.gz RYWTYCMOIFACJT-MJGOQNOKSA-N 2 1 360.502 0.767 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263723126 488621910 /nfs/dbraw/zinc/62/19/10/488621910.db2.gz SSUQGOMCECATIR-HNNXBMFYSA-N 2 1 350.467 0.433 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263723126 488621911 /nfs/dbraw/zinc/62/19/11/488621911.db2.gz SSUQGOMCECATIR-HNNXBMFYSA-N 2 1 350.467 0.433 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263738776 488623275 /nfs/dbraw/zinc/62/32/75/488623275.db2.gz NYAJPPDOIVGRAM-GOSISDBHSA-N 3 1 360.506 0.987 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000263738776 488623278 /nfs/dbraw/zinc/62/32/78/488623278.db2.gz NYAJPPDOIVGRAM-GOSISDBHSA-N 2 1 360.506 0.987 20 0 FCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000263738776 488623280 /nfs/dbraw/zinc/62/32/80/488623280.db2.gz NYAJPPDOIVGRAM-GOSISDBHSA-N 2 1 360.506 0.987 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079223 488628986 /nfs/dbraw/zinc/62/89/86/488628986.db2.gz SZEFVBBCHUDLOY-IRXDYDNUSA-N 2 1 367.538 0.301 20 0 FCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000563074943 491213306 /nfs/dbraw/zinc/21/33/06/491213306.db2.gz VDRBYDACETUILE-RTBURBONSA-N 2 1 372.513 0.926 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159332 488635608 /nfs/dbraw/zinc/63/56/08/488635608.db2.gz ZBWUZEIBYUMBDJ-APWZRJJASA-N 2 1 360.502 0.505 20 0 FCADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CC[NH+](C)CC1 ZINC000273159332 488635609 /nfs/dbraw/zinc/63/56/09/488635609.db2.gz ZBWUZEIBYUMBDJ-APWZRJJASA-N 2 1 360.502 0.505 20 0 FCADMP C[NH+](C)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000133641805 488660970 /nfs/dbraw/zinc/66/09/70/488660970.db2.gz XYQKHDPQQNSTQX-QGZVFWFLSA-N 2 1 361.490 0.745 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000134155846 488664783 /nfs/dbraw/zinc/66/47/83/488664783.db2.gz OGGAXRPEBCKWHE-MSOLQXFVSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000134155846 488664786 /nfs/dbraw/zinc/66/47/86/488664786.db2.gz OGGAXRPEBCKWHE-MSOLQXFVSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000134155846 488664789 /nfs/dbraw/zinc/66/47/89/488664789.db2.gz OGGAXRPEBCKWHE-MSOLQXFVSA-N 2 1 353.507 0.983 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000136875024 488679150 /nfs/dbraw/zinc/67/91/50/488679150.db2.gz PMGWDBDCBGJWTR-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139984325 488686271 /nfs/dbraw/zinc/68/62/71/488686271.db2.gz FKPDVROZBNEKSB-KZNAEPCWSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139984325 488686273 /nfs/dbraw/zinc/68/62/73/488686273.db2.gz FKPDVROZBNEKSB-KZNAEPCWSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139984325 488686274 /nfs/dbraw/zinc/68/62/74/488686274.db2.gz FKPDVROZBNEKSB-KZNAEPCWSA-N 2 1 372.517 0.930 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139984325 488686276 /nfs/dbraw/zinc/68/62/76/488686276.db2.gz FKPDVROZBNEKSB-KZNAEPCWSA-N 2 1 372.517 0.930 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274218785 488691007 /nfs/dbraw/zinc/69/10/07/488691007.db2.gz JHQJSUAWISEDMP-UHFFFAOYSA-N 2 1 356.492 0.805 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150728093 488698975 /nfs/dbraw/zinc/69/89/75/488698975.db2.gz XFAOGLQTDCNQDV-HNNXBMFYSA-N 2 1 350.467 0.374 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000150728093 488698976 /nfs/dbraw/zinc/69/89/76/488698976.db2.gz XFAOGLQTDCNQDV-HNNXBMFYSA-N 2 1 350.467 0.374 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698447 488699626 /nfs/dbraw/zinc/69/96/26/488699626.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 1 359.518 0.978 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698447 488699628 /nfs/dbraw/zinc/69/96/28/488699628.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 1 359.518 0.978 20 0 FCADMP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+]1CCc2ccccc2C1 ZINC000264698447 488699629 /nfs/dbraw/zinc/69/96/29/488699629.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 1 359.518 0.978 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000152965934 488725470 /nfs/dbraw/zinc/72/54/70/488725470.db2.gz PKJRXJZYMIKPIY-HNNXBMFYSA-N 2 1 364.494 0.764 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810705 488735117 /nfs/dbraw/zinc/73/51/17/488735117.db2.gz JVNMIGDDIASRIY-UKRRQHHQSA-N 2 1 354.520 0.235 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000154821542 488747862 /nfs/dbraw/zinc/74/78/62/488747862.db2.gz BPXUQODULSYXCC-UHFFFAOYSA-N 2 1 362.474 0.520 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000563143717 491220259 /nfs/dbraw/zinc/22/02/59/491220259.db2.gz OEGBIYPMHXOQQL-GOSISDBHSA-N 2 1 356.470 0.839 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000155363870 488754916 /nfs/dbraw/zinc/75/49/16/488754916.db2.gz DYFBIGAOKJXBHS-HUUCEWRRSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563142459 491220558 /nfs/dbraw/zinc/22/05/58/491220558.db2.gz OJELBPBKEHDEOF-YESZJQIVSA-N 2 1 366.506 0.204 20 0 FCADMP Cn1cc([C@H](CO)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000275220709 488774153 /nfs/dbraw/zinc/77/41/53/488774153.db2.gz UGUILHBMEQVINM-IBGZPJMESA-N 2 1 371.485 0.955 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000167814398 488812572 /nfs/dbraw/zinc/81/25/72/488812572.db2.gz QTNSJIJMLIXJEB-KRWDZBQOSA-N 2 1 350.507 0.779 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1CC ZINC000168075904 488812595 /nfs/dbraw/zinc/81/25/95/488812595.db2.gz PRCAVDNTWHFXHX-HNNXBMFYSA-N 2 1 364.494 0.776 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1CC ZINC000168075904 488812597 /nfs/dbraw/zinc/81/25/97/488812597.db2.gz PRCAVDNTWHFXHX-HNNXBMFYSA-N 2 1 364.494 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000171899897 488828541 /nfs/dbraw/zinc/82/85/41/488828541.db2.gz XKLUGTCSSXSPCL-IYBDPMFKSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000174315433 488848660 /nfs/dbraw/zinc/84/86/60/488848660.db2.gz WJAUDXXHPWIPRR-NTDBWNAOSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000174315433 488848661 /nfs/dbraw/zinc/84/86/61/488848661.db2.gz WJAUDXXHPWIPRR-NTDBWNAOSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000174387417 488848927 /nfs/dbraw/zinc/84/89/27/488848927.db2.gz YETWUSZOEHAPDC-SJLPKXTDSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)CN1C ZINC000329202010 488980502 /nfs/dbraw/zinc/98/05/02/488980502.db2.gz WUTRQFPJQCHZDL-ZACQAIPSSA-N 2 1 366.506 0.251 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC[N@H+]1C[C@@H](C)O ZINC000364737940 488995018 /nfs/dbraw/zinc/99/50/18/488995018.db2.gz UMMJCKHLNIBOCG-DINLJIAVSA-N 2 1 353.507 0.823 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000280323918 488997995 /nfs/dbraw/zinc/99/79/95/488997995.db2.gz CJNKQFSKAAXCHW-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000280323918 488997999 /nfs/dbraw/zinc/99/79/99/488997999.db2.gz CJNKQFSKAAXCHW-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364787383 489002468 /nfs/dbraw/zinc/00/24/68/489002468.db2.gz BWIOZTWMCGEHNE-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP Cn1nnc2cc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)ccc21 ZINC000329470018 489007036 /nfs/dbraw/zinc/00/70/36/489007036.db2.gz XXSSISIBYZEMJQ-UHFFFAOYSA-N 2 1 356.474 0.954 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000329480717 489008126 /nfs/dbraw/zinc/00/81/26/489008126.db2.gz PGTCALAXTLDTGR-KRWDZBQOSA-N 2 1 366.506 0.252 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)(N2CCCCC2)CC1 ZINC000365024648 489030643 /nfs/dbraw/zinc/03/06/43/489030643.db2.gz CHGWNYAAYUQHGD-LSDHHAIUSA-N 2 1 352.479 0.086 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000563243169 491231073 /nfs/dbraw/zinc/23/10/73/491231073.db2.gz CIAGMGHCTLXTTE-MRXNPFEDSA-N 2 1 359.474 0.521 20 0 FCADMP CN(CCC[N@@H+](C)CC(=O)NC(=O)NCc1cccs1)CC[NH+](C)C ZINC000289451326 489068526 /nfs/dbraw/zinc/06/85/26/489068526.db2.gz PEHFGJKWLLISAJ-UHFFFAOYSA-N 2 1 369.535 0.889 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000289573729 489078319 /nfs/dbraw/zinc/07/83/19/489078319.db2.gz HLRKMUOPSIINLC-CQSZACIVSA-N 2 1 360.462 0.739 20 0 FCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC2)cn1 ZINC000289938456 489103822 /nfs/dbraw/zinc/10/38/22/489103822.db2.gz OOIJEUUWKMDFLP-MRXNPFEDSA-N 2 1 365.478 0.608 20 0 FCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC2)cn1 ZINC000289938456 489103824 /nfs/dbraw/zinc/10/38/24/489103824.db2.gz OOIJEUUWKMDFLP-MRXNPFEDSA-N 2 1 365.478 0.608 20 0 FCADMP C[C@@](O)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C[NH+]1CCOCC1 ZINC000570343792 491235314 /nfs/dbraw/zinc/23/53/14/491235314.db2.gz RAUSDXFDHFSPJM-FUHWJXTLSA-N 2 1 371.547 0.403 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000282397706 489160518 /nfs/dbraw/zinc/16/05/18/489160518.db2.gz FCQMLTFRHISIPK-UXHICEINSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000282397706 489160521 /nfs/dbraw/zinc/16/05/21/489160521.db2.gz FCQMLTFRHISIPK-UXHICEINSA-N 2 1 372.513 0.736 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000366291963 489167935 /nfs/dbraw/zinc/16/79/35/489167935.db2.gz NLLGDDIHBURZDP-HOTGVXAUSA-N 2 1 364.494 1.210 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331380424 489204371 /nfs/dbraw/zinc/20/43/71/489204371.db2.gz GGBNVPKMUGCYPB-TWMKSMIVSA-N 2 1 364.534 0.927 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331390847 489205512 /nfs/dbraw/zinc/20/55/12/489205512.db2.gz JJVNCKQRQXQUNR-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000331406003 489207054 /nfs/dbraw/zinc/20/70/54/489207054.db2.gz ODFCRJQVKYWFJA-UHFFFAOYSA-N 2 1 352.479 0.087 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000331447061 489212660 /nfs/dbraw/zinc/21/26/60/489212660.db2.gz CFFKYZGJSJIRIR-FPCVCCKLSA-N 2 1 350.507 0.727 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000331449705 489213166 /nfs/dbraw/zinc/21/31/66/489213166.db2.gz YZFPJJBYEFCKHJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331449705 489213170 /nfs/dbraw/zinc/21/31/70/489213170.db2.gz YZFPJJBYEFCKHJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331449705 489213174 /nfs/dbraw/zinc/21/31/74/489213174.db2.gz YZFPJJBYEFCKHJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332842758 489238452 /nfs/dbraw/zinc/23/84/52/489238452.db2.gz OIKAKMJXIYZFOG-BZSNNMDCSA-N 2 1 368.522 0.774 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332979684 489253230 /nfs/dbraw/zinc/25/32/30/489253230.db2.gz KYCIAWCMBBXFME-BPQIPLTHSA-N 2 1 367.538 0.299 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501432 489267189 /nfs/dbraw/zinc/26/71/89/489267189.db2.gz PPORNQPCPUQHQT-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501432 489267192 /nfs/dbraw/zinc/26/71/92/489267192.db2.gz PPORNQPCPUQHQT-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000283501432 489267196 /nfs/dbraw/zinc/26/71/96/489267196.db2.gz PPORNQPCPUQHQT-QYZOEREBSA-N 2 1 370.497 0.930 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000370068297 489313235 /nfs/dbraw/zinc/31/32/35/489313235.db2.gz WQNDFXRNVAOTGU-IRXDYDNUSA-N 2 1 374.485 0.975 20 0 FCADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000285816637 489321901 /nfs/dbraw/zinc/32/19/01/489321901.db2.gz NPWIKZAKYZRFJL-SFHVURJKSA-N 2 1 360.502 0.687 20 0 FCADMP CC(=O)NCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370262256 489336551 /nfs/dbraw/zinc/33/65/51/489336551.db2.gz VOGPBBQDSAAVSZ-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000286206368 489368300 /nfs/dbraw/zinc/36/83/00/489368300.db2.gz OFBKBQARCTXCNQ-SJLPKXTDSA-N 2 1 358.486 0.692 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000286206368 489368303 /nfs/dbraw/zinc/36/83/03/489368303.db2.gz OFBKBQARCTXCNQ-SJLPKXTDSA-N 2 1 358.486 0.692 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000362257357 489380593 /nfs/dbraw/zinc/38/05/93/489380593.db2.gz NZTWYQIPTRJEAM-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000362257357 489380595 /nfs/dbraw/zinc/38/05/95/489380595.db2.gz NZTWYQIPTRJEAM-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000362257357 489380597 /nfs/dbraw/zinc/38/05/97/489380597.db2.gz NZTWYQIPTRJEAM-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000362257357 489380599 /nfs/dbraw/zinc/38/05/99/489380599.db2.gz NZTWYQIPTRJEAM-BZUAXINKSA-N 2 1 352.479 0.892 20 0 FCADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCNC(=O)C1 ZINC000370652052 489386435 /nfs/dbraw/zinc/38/64/35/489386435.db2.gz SSMORNKVXVOQBK-UHFFFAOYSA-N 2 1 370.497 0.933 20 0 FCADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCNC(=O)C1 ZINC000370652052 489386438 /nfs/dbraw/zinc/38/64/38/489386438.db2.gz SSMORNKVXVOQBK-UHFFFAOYSA-N 2 1 370.497 0.933 20 0 FCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc2)CC1 ZINC000299103977 489406299 /nfs/dbraw/zinc/40/62/99/489406299.db2.gz UCZPLJFJDMWQLT-UHFFFAOYSA-N 2 1 373.545 0.753 20 0 FCADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cn(C)c(=O)n(C)c3=O)C2)nc(C)[nH+]1 ZINC000363010007 489411063 /nfs/dbraw/zinc/41/10/63/489411063.db2.gz DDTKCQUKPOCTLL-HNNXBMFYSA-N 2 1 358.446 0.249 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nccn1C ZINC000286753847 489424794 /nfs/dbraw/zinc/42/47/94/489424794.db2.gz RUDLTPVATVDIHE-GOEBONIOSA-N 2 1 355.442 0.673 20 0 FCADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nccn1C ZINC000286753847 489424796 /nfs/dbraw/zinc/42/47/96/489424796.db2.gz RUDLTPVATVDIHE-GOEBONIOSA-N 2 1 355.442 0.673 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCC1 ZINC000286754209 489425650 /nfs/dbraw/zinc/42/56/50/489425650.db2.gz GOTHKHJCFQNPIZ-CQSZACIVSA-N 2 1 364.494 0.483 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363183139 489435162 /nfs/dbraw/zinc/43/51/62/489435162.db2.gz OHRZHFBACJNJLA-ZWKOTPCHSA-N 2 1 366.506 0.603 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000371019693 489438361 /nfs/dbraw/zinc/43/83/61/489438361.db2.gz QHSSOFYUMZPBNE-KRWDZBQOSA-N 2 1 354.495 0.461 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563610326 491258060 /nfs/dbraw/zinc/25/80/60/491258060.db2.gz RWWDKSJSEOSCPB-MRXNPFEDSA-N 2 1 351.495 0.467 20 0 FCADMP CCN(CC)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299564193 489456363 /nfs/dbraw/zinc/45/63/63/489456363.db2.gz OAMOIWLUPWCEQF-UHFFFAOYSA-N 2 1 355.508 0.770 20 0 FCADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)N3CCNC3=O)CC2)CC1 ZINC000371156602 489458238 /nfs/dbraw/zinc/45/82/38/489458238.db2.gz KUJUHRWYTQCPKI-UHFFFAOYSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000371195046 489464843 /nfs/dbraw/zinc/46/48/43/489464843.db2.gz HZFSWVMHAXSHSU-OWCLPIDISA-N 2 1 361.490 0.787 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000371195046 489464847 /nfs/dbraw/zinc/46/48/47/489464847.db2.gz HZFSWVMHAXSHSU-OWCLPIDISA-N 2 1 361.490 0.787 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292441 489474861 /nfs/dbraw/zinc/47/48/61/489474861.db2.gz BXRKSPGPLIWWIW-QLFBSQMISA-N 2 1 352.479 0.890 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)CC1 ZINC000363572325 489480221 /nfs/dbraw/zinc/48/02/21/489480221.db2.gz CTSCLEVYXYCKSQ-RDTXWAMCSA-N 2 1 350.463 0.955 20 0 FCADMP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423150018 489497349 /nfs/dbraw/zinc/49/73/49/489497349.db2.gz YLIHAOIUXHYFGJ-MSOLQXFVSA-N 2 1 374.485 0.296 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000423186150 489500909 /nfs/dbraw/zinc/50/09/09/489500909.db2.gz KLVQDFDXNRKFHL-HRCADAONSA-N 2 1 354.495 0.155 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000423193064 489501274 /nfs/dbraw/zinc/50/12/74/489501274.db2.gz WJYPAPBGNCBAJX-RDJZCZTQSA-N 2 1 368.522 0.530 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000423192428 489501422 /nfs/dbraw/zinc/50/14/22/489501422.db2.gz VGZDZGZOUPGKBY-BZUAXINKSA-N 2 1 368.522 0.530 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000423230790 489505876 /nfs/dbraw/zinc/50/58/76/489505876.db2.gz KCKUJECSNVXZDK-LJQANCHMSA-N 2 1 372.513 0.974 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000423231496 489505961 /nfs/dbraw/zinc/50/59/61/489505961.db2.gz LJEPSXQLVMGLQT-GOSISDBHSA-N 2 1 358.486 0.713 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1CC ZINC000423278390 489511465 /nfs/dbraw/zinc/51/14/65/489511465.db2.gz PUGDPVJAWHESLL-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1CC ZINC000423278390 489511466 /nfs/dbraw/zinc/51/14/66/489511466.db2.gz PUGDPVJAWHESLL-YESZJQIVSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)nc1 ZINC000415128259 489512754 /nfs/dbraw/zinc/51/27/54/489512754.db2.gz SSPQNYZGEODJLH-HNNXBMFYSA-N 2 1 362.478 0.477 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423301092 489513457 /nfs/dbraw/zinc/51/34/57/489513457.db2.gz FLSAUMQOHJRXOJ-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000415378308 489516331 /nfs/dbraw/zinc/51/63/31/489516331.db2.gz MYSPIVQVTHIFGS-RHSMWYFYSA-N 2 1 360.458 0.887 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415463110 489523096 /nfs/dbraw/zinc/52/30/96/489523096.db2.gz AUKLZSIJPCRIDZ-QGZVFWFLSA-N 2 1 360.458 0.450 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415517945 489526735 /nfs/dbraw/zinc/52/67/35/489526735.db2.gz IDVBRKQZNJWNQN-NVXWUHKLSA-N 2 1 374.485 0.696 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371942639 489527002 /nfs/dbraw/zinc/52/70/02/489527002.db2.gz MCDOJCHPRCPOPW-QGZVFWFLSA-N 2 1 355.527 0.375 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000425864075 489534884 /nfs/dbraw/zinc/53/48/84/489534884.db2.gz AYCJFYOOADCSOJ-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000425875427 489537519 /nfs/dbraw/zinc/53/75/19/489537519.db2.gz ABTGBCYUGDZGPM-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000425875427 489537522 /nfs/dbraw/zinc/53/75/22/489537522.db2.gz ABTGBCYUGDZGPM-CABCVRRESA-N 2 1 354.495 0.155 20 0 FCADMP C[N@H+](CCc1cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c1)C1CC1 ZINC000415618801 489537801 /nfs/dbraw/zinc/53/78/01/489537801.db2.gz XOGWGCUDAWKRJM-UHFFFAOYSA-N 2 1 354.401 0.972 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c1)C1CC1 ZINC000415618801 489537803 /nfs/dbraw/zinc/53/78/03/489537803.db2.gz XOGWGCUDAWKRJM-UHFFFAOYSA-N 2 1 354.401 0.972 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1)C1CC1 ZINC000415679823 489541164 /nfs/dbraw/zinc/54/11/64/489541164.db2.gz ZJONPWWDHPVYMD-IYBDPMFKSA-N 2 1 356.470 0.940 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000425910896 489548057 /nfs/dbraw/zinc/54/80/57/489548057.db2.gz YZNFJLKICDWZTG-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000425910896 489548060 /nfs/dbraw/zinc/54/80/60/489548060.db2.gz YZNFJLKICDWZTG-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000415964462 489566693 /nfs/dbraw/zinc/56/66/93/489566693.db2.gz SQMAUUCJDOAKLG-ZFWWWQNUSA-N 2 1 374.489 0.607 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788563 491264374 /nfs/dbraw/zinc/26/43/74/491264374.db2.gz FXOFZMQYACZHON-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000555670159 491264549 /nfs/dbraw/zinc/26/45/49/491264549.db2.gz INTFXQIWCGTFKF-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000372454901 489586395 /nfs/dbraw/zinc/58/63/95/489586395.db2.gz MHDWAKGJMYSKFN-QZTJIDSGSA-N 3 1 366.550 0.972 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCOCC1 ZINC000416941985 489634584 /nfs/dbraw/zinc/63/45/84/489634584.db2.gz REFSQJAIJLZUJT-KRWDZBQOSA-N 2 1 356.511 0.883 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416941477 489634599 /nfs/dbraw/zinc/63/45/99/489634599.db2.gz QLPVYGDPVNQITG-KRWDZBQOSA-N 2 1 355.527 0.328 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000416940394 489634910 /nfs/dbraw/zinc/63/49/10/489634910.db2.gz ACGXAPGAWHKMRQ-INIZCTEOSA-N 2 1 361.494 0.288 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000683084420 493332946 /nfs/dbraw/zinc/33/29/46/493332946.db2.gz DVIOXYHTYRQTCO-MSOLQXFVSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000683084420 493332948 /nfs/dbraw/zinc/33/29/48/493332948.db2.gz DVIOXYHTYRQTCO-MSOLQXFVSA-N 2 1 367.538 0.375 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000683084420 493332950 /nfs/dbraw/zinc/33/29/50/493332950.db2.gz DVIOXYHTYRQTCO-MSOLQXFVSA-N 2 1 367.538 0.375 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416946809 489635487 /nfs/dbraw/zinc/63/54/87/489635487.db2.gz IVEXNOYQNIMTQN-MRXNPFEDSA-N 2 1 361.494 0.512 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](c2ccccc2)C1 ZINC000417013660 489638575 /nfs/dbraw/zinc/63/85/75/489638575.db2.gz CXXPNGUXPGVCNO-ZSYWTGECSA-N 2 1 357.502 0.882 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](c2ccccc2)C1 ZINC000417013660 489638577 /nfs/dbraw/zinc/63/85/77/489638577.db2.gz CXXPNGUXPGVCNO-ZSYWTGECSA-N 2 1 357.502 0.882 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](c2ccccc2)C1 ZINC000417013660 489638578 /nfs/dbraw/zinc/63/85/78/489638578.db2.gz CXXPNGUXPGVCNO-ZSYWTGECSA-N 2 1 357.502 0.882 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417016395 489638658 /nfs/dbraw/zinc/63/86/58/489638658.db2.gz GCSWZQSIOFUUSZ-IXDOHACOSA-N 2 1 367.538 0.851 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc1 ZINC000417059209 489639757 /nfs/dbraw/zinc/63/97/57/489639757.db2.gz HTNFSJYWRFTVLC-INIZCTEOSA-N 2 1 374.489 0.798 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000555730873 491268310 /nfs/dbraw/zinc/26/83/10/491268310.db2.gz MDXDYWKBBTUFPX-NVXWUHKLSA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000555730873 491268313 /nfs/dbraw/zinc/26/83/13/491268313.db2.gz MDXDYWKBBTUFPX-NVXWUHKLSA-N 2 1 366.506 0.226 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000555730873 491268315 /nfs/dbraw/zinc/26/83/15/491268315.db2.gz MDXDYWKBBTUFPX-NVXWUHKLSA-N 2 1 366.506 0.226 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000417267075 489646238 /nfs/dbraw/zinc/64/62/38/489646238.db2.gz GKQJHBDVGUQAJE-QAPCUYQASA-N 2 1 362.474 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000417267075 489646239 /nfs/dbraw/zinc/64/62/39/489646239.db2.gz GKQJHBDVGUQAJE-QAPCUYQASA-N 2 1 362.474 0.776 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000457502453 489647066 /nfs/dbraw/zinc/64/70/66/489647066.db2.gz FCFLROXLBLDICY-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000457502453 489647068 /nfs/dbraw/zinc/64/70/68/489647068.db2.gz FCFLROXLBLDICY-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000417367403 489649377 /nfs/dbraw/zinc/64/93/77/489649377.db2.gz MHOFLMLBDGJFTL-QGZVFWFLSA-N 2 1 360.506 0.893 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCOCC1 ZINC000457589325 489649459 /nfs/dbraw/zinc/64/94/59/489649459.db2.gz DATPORWRXWKUCA-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCOCC1 ZINC000457589325 489649462 /nfs/dbraw/zinc/64/94/62/489649462.db2.gz DATPORWRXWKUCA-MSOLQXFVSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620291 489651938 /nfs/dbraw/zinc/65/19/38/489651938.db2.gz PMWNKYHUHXLOMF-ZWKOTPCHSA-N 2 1 369.554 0.404 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000417427976 489652462 /nfs/dbraw/zinc/65/24/62/489652462.db2.gz KBOHSVGPCLBLBE-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000417429828 489652477 /nfs/dbraw/zinc/65/24/77/489652477.db2.gz NXPJUURGAXYHJL-JYJNAYRXSA-N 2 1 353.511 0.616 20 0 FCADMP CC[N@@H+](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417428405 489652532 /nfs/dbraw/zinc/65/25/32/489652532.db2.gz KXLZTMVLEQUJHO-CYBMUJFWSA-N 2 1 351.417 0.606 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417430767 489652572 /nfs/dbraw/zinc/65/25/72/489652572.db2.gz PVWJQFDIGCZKGY-JYJNAYRXSA-N 2 1 353.511 0.840 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000555731969 491268972 /nfs/dbraw/zinc/26/89/72/491268972.db2.gz WHCOZYRXLISULJ-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000555731969 491268973 /nfs/dbraw/zinc/26/89/73/491268973.db2.gz WHCOZYRXLISULJ-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000555731969 491268974 /nfs/dbraw/zinc/26/89/74/491268974.db2.gz WHCOZYRXLISULJ-MRXNPFEDSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417550130 489658397 /nfs/dbraw/zinc/65/83/97/489658397.db2.gz UNPLRQUQRXMRHF-YOEHRIQHSA-N 2 1 361.490 0.778 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000428624547 489658585 /nfs/dbraw/zinc/65/85/85/489658585.db2.gz IVFQYYBBNFOJEH-ROUUACIJSA-N 2 1 358.486 0.960 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417580667 489659096 /nfs/dbraw/zinc/65/90/96/489659096.db2.gz RIQCBPBFSDFJPI-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCC[NH+]1CCSCC1 ZINC000417611577 489659688 /nfs/dbraw/zinc/65/96/88/489659688.db2.gz PJFITIQCBSWGNU-CQSZACIVSA-N 2 1 357.524 0.064 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620618 489660058 /nfs/dbraw/zinc/66/00/58/489660058.db2.gz DHSDBSQZVZSYFN-HOCLYGCPSA-N 2 1 351.495 0.370 20 0 FCADMP CC[NH2+]CCNC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417673749 489660711 /nfs/dbraw/zinc/66/07/11/489660711.db2.gz WOJQZKYCQNIASR-UHFFFAOYSA-N 2 1 350.463 0.971 20 0 FCADMP CC[NH2+]CCNC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000417673749 489660714 /nfs/dbraw/zinc/66/07/14/489660714.db2.gz WOJQZKYCQNIASR-UHFFFAOYSA-N 2 1 350.463 0.971 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H]1CC[NH2+]C1)CC2 ZINC000417665204 489661073 /nfs/dbraw/zinc/66/10/73/489661073.db2.gz BSKIYFXDLIRBJP-AWEZNQCLSA-N 2 1 362.474 0.971 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H]1CC[NH2+]C1)CC2 ZINC000417665204 489661076 /nfs/dbraw/zinc/66/10/76/489661076.db2.gz BSKIYFXDLIRBJP-AWEZNQCLSA-N 2 1 362.474 0.971 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417745611 489663913 /nfs/dbraw/zinc/66/39/13/489663913.db2.gz OGRNJZIJOFOGAA-LPHOPBHVSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417750482 489664093 /nfs/dbraw/zinc/66/40/93/489664093.db2.gz XGZKPHUJQFMTLW-KBPBESRZSA-N 2 1 370.448 0.874 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000563804476 491270164 /nfs/dbraw/zinc/27/01/64/491270164.db2.gz OJVLPDNXUCEYMF-VQHPVUNQSA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417910191 489670839 /nfs/dbraw/zinc/67/08/39/489670839.db2.gz JKIKQHZIOIQPKV-IRXDYDNUSA-N 2 1 367.538 0.851 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408408 489681306 /nfs/dbraw/zinc/68/13/06/489681306.db2.gz DKCOGEXCZKMPMX-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408408 489681309 /nfs/dbraw/zinc/68/13/09/489681309.db2.gz DKCOGEXCZKMPMX-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458408408 489681311 /nfs/dbraw/zinc/68/13/11/489681311.db2.gz DKCOGEXCZKMPMX-HZPDHXFCSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555758163 491271012 /nfs/dbraw/zinc/27/10/12/491271012.db2.gz VMEBUPGXOJZDMG-UHFFFAOYSA-N 2 1 367.538 0.122 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418198903 489685142 /nfs/dbraw/zinc/68/51/42/489685142.db2.gz MMVYSFOEZLBGHO-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000570879998 491271399 /nfs/dbraw/zinc/27/13/99/491271399.db2.gz VZXZQEJFHMVKFT-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000570879998 491271402 /nfs/dbraw/zinc/27/14/02/491271402.db2.gz VZXZQEJFHMVKFT-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000570879998 491271405 /nfs/dbraw/zinc/27/14/05/491271405.db2.gz VZXZQEJFHMVKFT-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H]1Cc1ccccc1 ZINC000418299460 489689212 /nfs/dbraw/zinc/68/92/12/489689212.db2.gz NYIOJEUAFWJWJZ-IBGZPJMESA-N 2 1 359.518 0.850 20 0 FCADMP C[N@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H]1Cc1ccccc1 ZINC000418299460 489689217 /nfs/dbraw/zinc/68/92/17/489689217.db2.gz NYIOJEUAFWJWJZ-IBGZPJMESA-N 2 1 359.518 0.850 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418339269 489692783 /nfs/dbraw/zinc/69/27/83/489692783.db2.gz DYNVKZIRQBGDKM-QGZVFWFLSA-N 2 1 367.538 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418339269 489692785 /nfs/dbraw/zinc/69/27/85/489692785.db2.gz DYNVKZIRQBGDKM-QGZVFWFLSA-N 2 1 367.538 0.962 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418359619 489693418 /nfs/dbraw/zinc/69/34/18/489693418.db2.gz ANMTYMCDFYKTQJ-SJORKVTESA-N 2 1 355.527 0.278 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000418361064 489693479 /nfs/dbraw/zinc/69/34/79/489693479.db2.gz ACJQAHIJUPTIRE-IHRRRGAJSA-N 2 1 367.473 0.614 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)CC1 ZINC000418418422 489697193 /nfs/dbraw/zinc/69/71/93/489697193.db2.gz WTZUIGJZXITXQG-UHFFFAOYSA-N 2 1 353.511 0.700 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418515396 489702594 /nfs/dbraw/zinc/70/25/94/489702594.db2.gz YHPPPLDJRZYKHK-IRXDYDNUSA-N 2 1 350.463 0.157 20 0 FCADMP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418515395 489702815 /nfs/dbraw/zinc/70/28/15/489702815.db2.gz YHPPPLDJRZYKHK-IAGOWNOFSA-N 2 1 350.463 0.157 20 0 FCADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458854047 489704879 /nfs/dbraw/zinc/70/48/79/489704879.db2.gz XGTHHZJOYGBKLP-UHFFFAOYSA-N 2 1 369.554 0.768 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(F)(F)C[NH3+] ZINC000418548223 489705743 /nfs/dbraw/zinc/70/57/43/489705743.db2.gz ZBPIIORAFMCTKR-AWEZNQCLSA-N 2 1 371.432 0.169 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609334 489709527 /nfs/dbraw/zinc/70/95/27/489709527.db2.gz FHGSIMYPZJSFKB-MGPQQGTHSA-N 2 1 365.444 0.804 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418624587 489712725 /nfs/dbraw/zinc/71/27/25/489712725.db2.gz ZCOHZBSJWNCJHP-ZIAGYGMSSA-N 2 1 365.444 0.806 20 0 FCADMP COCC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH2+]CC1 ZINC000418641271 489714314 /nfs/dbraw/zinc/71/43/14/489714314.db2.gz QBSZNSUSMDZWRU-OAHLLOKOSA-N 2 1 356.511 0.489 20 0 FCADMP CC[C@@H]([NH3+])CNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000418703766 489719071 /nfs/dbraw/zinc/71/90/71/489719071.db2.gz FQBKQHYRKSOENH-MRXNPFEDSA-N 2 1 353.511 0.700 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132435 489719525 /nfs/dbraw/zinc/71/95/25/489719525.db2.gz IOEYTCHPHMFSDW-CRAIPNDOSA-N 2 1 353.511 0.713 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418734535 489720947 /nfs/dbraw/zinc/72/09/47/489720947.db2.gz SOPURYHVQMQZHF-WDYCEAGBSA-N 2 1 364.465 0.885 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789948 489727326 /nfs/dbraw/zinc/72/73/26/489727326.db2.gz MHMKNKLBSOWJMS-IAGOWNOFSA-N 3 1 355.527 0.422 20 0 FCADMP C[C@H](CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCOCC1 ZINC000376034765 489729336 /nfs/dbraw/zinc/72/93/36/489729336.db2.gz MPAPFIUCEVAUSV-OAHLLOKOSA-N 2 1 364.494 1.240 20 0 FCADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000489853367 489730764 /nfs/dbraw/zinc/73/07/64/489730764.db2.gz BVGLCGCVIDPSMQ-UHFFFAOYSA-N 2 1 367.538 0.060 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000473993460 489744318 /nfs/dbraw/zinc/74/43/18/489744318.db2.gz LDNXOCBTKHNJJB-UHFFFAOYSA-N 2 1 352.483 0.755 20 0 FCADMP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430602206 489750281 /nfs/dbraw/zinc/75/02/81/489750281.db2.gz GMQRCSFHVQMNRB-KGLIPLIRSA-N 2 1 352.504 0.582 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430602125 489750641 /nfs/dbraw/zinc/75/06/41/489750641.db2.gz GGZLCSQYRLRCDX-ZDUSSCGKSA-N 2 1 354.401 0.368 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537036 489750652 /nfs/dbraw/zinc/75/06/52/489750652.db2.gz AZWVNLJPVYYSHP-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537036 489750654 /nfs/dbraw/zinc/75/06/54/489750654.db2.gz AZWVNLJPVYYSHP-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430609990 489751918 /nfs/dbraw/zinc/75/19/18/489751918.db2.gz JGNDXZMZRNZCTL-AEFFLSMTSA-N 2 1 358.486 0.967 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000430606375 489752544 /nfs/dbraw/zinc/75/25/44/489752544.db2.gz VHKACMSEOPQCFB-CQSZACIVSA-N 2 1 352.866 0.743 20 0 FCADMP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606567 489752757 /nfs/dbraw/zinc/75/27/57/489752757.db2.gz WHUWOCGZAZHLSB-SJLPKXTDSA-N 2 1 360.502 0.829 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000430614499 489753888 /nfs/dbraw/zinc/75/38/88/489753888.db2.gz YTULOTDJJWVPLN-MRXNPFEDSA-N 2 1 350.507 0.969 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418848592 489754753 /nfs/dbraw/zinc/75/47/53/489754753.db2.gz LTNSHDBENHUYSO-HOCLYGCPSA-N 2 1 362.474 0.482 20 0 FCADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430637222 489760061 /nfs/dbraw/zinc/76/00/61/489760061.db2.gz BZACWZSKKAVBIU-INIZCTEOSA-N 2 1 362.474 0.236 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000418857297 489760724 /nfs/dbraw/zinc/76/07/24/489760724.db2.gz YRCXRMGFYDHOJJ-MRXNPFEDSA-N 2 1 360.458 0.450 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000418860229 489761420 /nfs/dbraw/zinc/76/14/20/489761420.db2.gz LTILQQZVQOFQGK-OKZBNKHCSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418859765 489761717 /nfs/dbraw/zinc/76/17/17/489761717.db2.gz KTPNLTGVRGVCSW-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430645127 489762200 /nfs/dbraw/zinc/76/22/00/489762200.db2.gz NWHONRCYEPWEIK-UHFFFAOYSA-N 2 1 354.476 0.546 20 0 FCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430668898 489763174 /nfs/dbraw/zinc/76/31/74/489763174.db2.gz SGINUJPKULLFPL-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430668898 489763177 /nfs/dbraw/zinc/76/31/77/489763177.db2.gz SGINUJPKULLFPL-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C)C[NH2+]1 ZINC000418862562 489763812 /nfs/dbraw/zinc/76/38/12/489763812.db2.gz ANOWVTSRKRVVQW-RKVPGOIHSA-N 2 1 374.485 0.078 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418865513 489765024 /nfs/dbraw/zinc/76/50/24/489765024.db2.gz MJNGIHFJIWZRLS-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418866577 489765524 /nfs/dbraw/zinc/76/55/24/489765524.db2.gz OBBJMPAOLSADHS-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000563917499 491277463 /nfs/dbraw/zinc/27/74/63/491277463.db2.gz XRQDYKUFUXTHCU-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000563917499 491277464 /nfs/dbraw/zinc/27/74/64/491277464.db2.gz XRQDYKUFUXTHCU-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418871278 489767988 /nfs/dbraw/zinc/76/79/88/489767988.db2.gz VEQWAZLLLBEMKU-HUUCEWRRSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000459856798 489770553 /nfs/dbraw/zinc/77/05/53/489770553.db2.gz BDZQWLOKUXKOQZ-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCO1 ZINC000418879705 489772209 /nfs/dbraw/zinc/77/22/09/489772209.db2.gz NXFLMHGWVBQNEG-QZWWFDLISA-N 2 1 366.506 0.189 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418883337 489774169 /nfs/dbraw/zinc/77/41/69/489774169.db2.gz UYIRKJBZGRQLKP-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430896808 489775113 /nfs/dbraw/zinc/77/51/13/489775113.db2.gz LGJJJNMDHKFRRS-OAHLLOKOSA-N 2 1 360.458 0.781 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418885939 489775835 /nfs/dbraw/zinc/77/58/35/489775835.db2.gz ZPUMLZDQMUTILO-PMPSAXMXSA-N 2 1 354.495 0.237 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000459872315 489776608 /nfs/dbraw/zinc/77/66/08/489776608.db2.gz UVTIPKWXPFLHLO-UHFFFAOYSA-N 2 1 368.522 0.092 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000459872315 489776610 /nfs/dbraw/zinc/77/66/10/489776610.db2.gz UVTIPKWXPFLHLO-UHFFFAOYSA-N 2 1 368.522 0.092 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929714 489778589 /nfs/dbraw/zinc/77/85/89/489778589.db2.gz YKPMHEFULKLCLT-OAHLLOKOSA-N 2 1 366.510 0.943 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000376725412 489784592 /nfs/dbraw/zinc/78/45/92/489784592.db2.gz BFYGBVMRRWFNMR-VVLHAWIVSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000376725412 489784596 /nfs/dbraw/zinc/78/45/96/489784596.db2.gz BFYGBVMRRWFNMR-VVLHAWIVSA-N 2 1 354.495 0.648 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033417 489785112 /nfs/dbraw/zinc/78/51/12/489785112.db2.gz PAAFZKBYRNRAAY-QGZVFWFLSA-N 3 1 352.523 0.535 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033417 489785115 /nfs/dbraw/zinc/78/51/15/489785115.db2.gz PAAFZKBYRNRAAY-QGZVFWFLSA-N 2 1 352.523 0.535 20 0 FCADMP CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2C1=O ZINC000431034022 489787095 /nfs/dbraw/zinc/78/70/95/489787095.db2.gz LZTGHCFWOHWPSX-UHFFFAOYSA-N 2 1 356.426 0.926 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459908584 489787594 /nfs/dbraw/zinc/78/75/94/489787594.db2.gz QPIISSOCBNGGGE-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418913387 489788857 /nfs/dbraw/zinc/78/88/57/489788857.db2.gz DRLPPILUZLNWDH-ARFHVFGLSA-N 2 1 354.495 0.093 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000459912852 489790298 /nfs/dbraw/zinc/79/02/98/489790298.db2.gz IKLLWGJRFWFYNK-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000418930479 489794635 /nfs/dbraw/zinc/79/46/35/489794635.db2.gz XXEZHWNSFGURBH-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000459928634 489797643 /nfs/dbraw/zinc/79/76/43/489797643.db2.gz YBNYWIXUBNOCCP-QGZVFWFLSA-N 2 1 368.522 0.234 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000459929091 489797706 /nfs/dbraw/zinc/79/77/06/489797706.db2.gz YTEGNHOXAIBKTK-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000459929091 489797710 /nfs/dbraw/zinc/79/77/10/489797710.db2.gz YTEGNHOXAIBKTK-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000418945038 489799184 /nfs/dbraw/zinc/79/91/84/489799184.db2.gz KXELWVDBBPVJHW-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[C@@H]1C ZINC000459985445 489809577 /nfs/dbraw/zinc/80/95/77/489809577.db2.gz DMIWFMARXGTCKO-HOTGVXAUSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000460008856 489816682 /nfs/dbraw/zinc/81/66/82/489816682.db2.gz FPRXVYITGAPVJF-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419020433 489820820 /nfs/dbraw/zinc/82/08/20/489820820.db2.gz FTZPYEFDYBSUBD-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCN(C)CC1 ZINC000571030163 491281134 /nfs/dbraw/zinc/28/11/34/491281134.db2.gz AISYGLFPQOVTSS-KRWDZBQOSA-N 2 1 363.510 0.204 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419029837 489825040 /nfs/dbraw/zinc/82/50/40/489825040.db2.gz SKYJCDKWFGRKCD-XHSDSOJGSA-N 2 1 368.522 0.435 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033683 489826057 /nfs/dbraw/zinc/82/60/57/489826057.db2.gz YPKFTTHTHCADDD-XHSDSOJGSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041381 489829199 /nfs/dbraw/zinc/82/91/99/489829199.db2.gz BTJIOPCDRNVLEB-WBVHZDCISA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041381 489829204 /nfs/dbraw/zinc/82/92/04/489829204.db2.gz BTJIOPCDRNVLEB-WBVHZDCISA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)CCO1 ZINC000460041381 489829207 /nfs/dbraw/zinc/82/92/07/489829207.db2.gz BTJIOPCDRNVLEB-WBVHZDCISA-N 2 1 364.490 0.005 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000419040089 489830500 /nfs/dbraw/zinc/83/05/00/489830500.db2.gz LUHFHKAAAMOBEZ-YVSFHVDLSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419047653 489834106 /nfs/dbraw/zinc/83/41/06/489834106.db2.gz UALJTDDKPILIFW-NJAFHUGGSA-N 2 1 374.485 0.433 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419051309 489835837 /nfs/dbraw/zinc/83/58/37/489835837.db2.gz BANDWGVVRVOFBH-IAGOWNOFSA-N 2 1 362.474 0.057 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419057924 489838196 /nfs/dbraw/zinc/83/81/96/489838196.db2.gz ASBYBOASMQOAKO-QXSJWSMHSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419057924 489838202 /nfs/dbraw/zinc/83/82/02/489838202.db2.gz ASBYBOASMQOAKO-QXSJWSMHSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@H]1C[N@@H+](CCCNCc2cnc(N3CCN(C)CC3)nc2)CCCO1 ZINC000432362796 489838831 /nfs/dbraw/zinc/83/88/31/489838831.db2.gz PDJLFTNTGZBFAU-KRWDZBQOSA-N 3 1 362.522 0.819 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419062303 489840145 /nfs/dbraw/zinc/84/01/45/489840145.db2.gz AIDOSRPKPRAHQY-UHFFFAOYSA-N 2 1 368.428 0.725 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064876 489840583 /nfs/dbraw/zinc/84/05/83/489840583.db2.gz CQQIMNFMIGNSDP-CRAIPNDOSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064876 489840587 /nfs/dbraw/zinc/84/05/87/489840587.db2.gz CQQIMNFMIGNSDP-CRAIPNDOSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1CCCCCC1 ZINC000432523446 489845387 /nfs/dbraw/zinc/84/53/87/489845387.db2.gz NHHJYLUXLGCFFK-SFHVURJKSA-N 2 1 354.539 0.757 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000432533468 489846036 /nfs/dbraw/zinc/84/60/36/489846036.db2.gz CUFBHHMKFMQEQP-UHFFFAOYSA-N 2 1 362.518 0.868 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000419088354 489851337 /nfs/dbraw/zinc/85/13/37/489851337.db2.gz RDUIKHAIAJRSAU-LVQVYYBASA-N 2 1 368.522 0.624 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000419086399 489851757 /nfs/dbraw/zinc/85/17/57/489851757.db2.gz OAURRMFXFOZYSK-IYOUNJFTSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000419086399 489851763 /nfs/dbraw/zinc/85/17/63/489851763.db2.gz OAURRMFXFOZYSK-IYOUNJFTSA-N 2 1 354.495 0.188 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419089543 489852653 /nfs/dbraw/zinc/85/26/53/489852653.db2.gz UCKBRKXEDHCPTF-KFWWJZLASA-N 2 1 354.495 0.058 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000419106854 489856932 /nfs/dbraw/zinc/85/69/32/489856932.db2.gz WMFJIDMPHLLILR-KRWDZBQOSA-N 2 1 373.501 1.299 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000476041171 489863830 /nfs/dbraw/zinc/86/38/30/489863830.db2.gz LGFKQSGVQLRWIF-GOSISDBHSA-N 2 1 369.554 0.502 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000476041171 489863834 /nfs/dbraw/zinc/86/38/34/489863834.db2.gz LGFKQSGVQLRWIF-GOSISDBHSA-N 2 1 369.554 0.502 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000476041171 489863837 /nfs/dbraw/zinc/86/38/37/489863837.db2.gz LGFKQSGVQLRWIF-GOSISDBHSA-N 2 1 369.554 0.502 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419119260 489864661 /nfs/dbraw/zinc/86/46/61/489864661.db2.gz OPYXBGOLYVZMTD-INIZCTEOSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419982269 489872311 /nfs/dbraw/zinc/87/23/11/489872311.db2.gz BCKZWMBXOVWDJJ-OAGGEKHMSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419993968 489875672 /nfs/dbraw/zinc/87/56/72/489875672.db2.gz KZURVQYXINDFQF-SOUVJXGZSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420012954 489880483 /nfs/dbraw/zinc/88/04/83/489880483.db2.gz JKEVYAZGUMLWSF-HLLBOEOZSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CCCO1 ZINC000433389990 489881087 /nfs/dbraw/zinc/88/10/87/489881087.db2.gz NIMIAIKSJRNTGA-CQSZACIVSA-N 2 1 352.483 0.786 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CCCO1 ZINC000433389990 489881091 /nfs/dbraw/zinc/88/10/91/489881091.db2.gz NIMIAIKSJRNTGA-CQSZACIVSA-N 2 1 352.483 0.786 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420019471 489881988 /nfs/dbraw/zinc/88/19/88/489881988.db2.gz QZJDBMZJVSRVKR-XUWVNRHRSA-N 2 1 354.495 0.236 20 0 FCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000377310414 489882448 /nfs/dbraw/zinc/88/24/48/489882448.db2.gz VNBJBWGMVQSXMJ-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000377310414 489882455 /nfs/dbraw/zinc/88/24/55/489882455.db2.gz VNBJBWGMVQSXMJ-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420021827 489883441 /nfs/dbraw/zinc/88/34/41/489883441.db2.gz IRZFSHQSHQYTIK-SOUVJXGZSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420026218 489885349 /nfs/dbraw/zinc/88/53/49/489885349.db2.gz ZXDAUMISLZTCQQ-USXIJHARSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030663 489887272 /nfs/dbraw/zinc/88/72/72/489887272.db2.gz GPWDWFKXPXHSTG-TUVASFSCSA-N 2 1 354.495 0.452 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461228 489887313 /nfs/dbraw/zinc/88/73/13/489887313.db2.gz DHPKXOKOAWMERS-HZPDHXFCSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461228 489887323 /nfs/dbraw/zinc/88/73/23/489887323.db2.gz DHPKXOKOAWMERS-HZPDHXFCSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCCO1 ZINC000433461228 489887327 /nfs/dbraw/zinc/88/73/27/489887327.db2.gz DHPKXOKOAWMERS-HZPDHXFCSA-N 2 1 369.510 0.126 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C[C@@H]1C ZINC000420046833 489892682 /nfs/dbraw/zinc/89/26/82/489892682.db2.gz VWHQYEQZHBQIIZ-AJNGGQMLSA-N 2 1 354.495 0.547 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000420051360 489894407 /nfs/dbraw/zinc/89/44/07/489894407.db2.gz DWHKTLUEOWXPNA-BFYDXBDKSA-N 2 1 366.506 0.332 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC1 ZINC000420063665 489898724 /nfs/dbraw/zinc/89/87/24/489898724.db2.gz NORJKFRTGUGANR-HNNXBMFYSA-N 2 1 350.488 0.288 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000420073582 489903807 /nfs/dbraw/zinc/90/38/07/489903807.db2.gz YISLCZCNZMGKBD-HZPDHXFCSA-N 2 1 359.474 0.672 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965683 491286357 /nfs/dbraw/zinc/28/63/57/491286357.db2.gz VITKTQTVSHUOJG-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000555965683 491286359 /nfs/dbraw/zinc/28/63/59/491286359.db2.gz VITKTQTVSHUOJG-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000555965683 491286361 /nfs/dbraw/zinc/28/63/61/491286361.db2.gz VITKTQTVSHUOJG-QGZVFWFLSA-N 2 1 367.538 0.119 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088157 489907558 /nfs/dbraw/zinc/90/75/58/489907558.db2.gz HIQCOEIMJVDYFZ-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP COC(=O)CCNC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000377512227 489912756 /nfs/dbraw/zinc/91/27/56/489912756.db2.gz RBWQTXUZZYLMFI-HUUCEWRRSA-N 2 1 355.479 0.487 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000461521860 489916174 /nfs/dbraw/zinc/91/61/74/489916174.db2.gz VWRSXNFTROJMOA-SFHVURJKSA-N 2 1 365.478 0.278 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCOC)CC[NH+](C)C)CC1=O ZINC000377576194 489924030 /nfs/dbraw/zinc/92/40/30/489924030.db2.gz AIMIIUIIRBVILA-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420165567 489937606 /nfs/dbraw/zinc/93/76/06/489937606.db2.gz NQFDHBAAYMMDHH-FUHWJXTLSA-N 2 1 360.502 0.888 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172898 489939596 /nfs/dbraw/zinc/93/95/96/489939596.db2.gz WHNMRMBGGNTYQH-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420172897 489939995 /nfs/dbraw/zinc/93/99/95/489939995.db2.gz WHNMRMBGGNTYQH-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420178052 489942386 /nfs/dbraw/zinc/94/23/86/489942386.db2.gz SYNYXWNDYKIWQZ-XHSDSOJGSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000420198448 489949377 /nfs/dbraw/zinc/94/93/77/489949377.db2.gz CKFBDMHFCWAOOE-OVYGPGRDSA-N 2 1 350.507 0.727 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000420212201 489953902 /nfs/dbraw/zinc/95/39/02/489953902.db2.gz TWNCYCMRAPRVRS-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000420212201 489953904 /nfs/dbraw/zinc/95/39/04/489953904.db2.gz TWNCYCMRAPRVRS-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H]1CCC[C@](CNC(=O)C(=O)NCC[NH+]2CCSCC2)([NH+](C)C)C1 ZINC000477305293 489957243 /nfs/dbraw/zinc/95/72/43/489957243.db2.gz YOANOIPXDJJIFW-YJBOKZPZSA-N 2 1 370.563 0.778 20 0 FCADMP COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299036 489961302 /nfs/dbraw/zinc/96/13/02/489961302.db2.gz GDMROJIMIFUBJK-BVBHFADKSA-N 2 1 363.502 0.780 20 0 FCADMP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(=O)[nH]c1=O ZINC000420333718 489963741 /nfs/dbraw/zinc/96/37/41/489963741.db2.gz SVEKELWCHJRXOG-CHWSQXEVSA-N 2 1 363.462 0.445 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH2+][C@@H](C)C1 ZINC000420337654 489964522 /nfs/dbraw/zinc/96/45/22/489964522.db2.gz MMLXQPOGFCFHSY-IRXDYDNUSA-N 2 1 360.502 0.817 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1ccc(Cl)cc1 ZINC000420348827 489965768 /nfs/dbraw/zinc/96/57/68/489965768.db2.gz MYXFMWBBJGGIAS-KRWDZBQOSA-N 2 1 350.894 0.978 20 0 FCADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350127 489966828 /nfs/dbraw/zinc/96/68/28/489966828.db2.gz RLEXUCZUSFBTDI-SFHVURJKSA-N 2 1 360.502 0.778 20 0 FCADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350127 489966833 /nfs/dbraw/zinc/96/68/33/489966833.db2.gz RLEXUCZUSFBTDI-SFHVURJKSA-N 2 1 360.502 0.778 20 0 FCADMP [NH3+]CCOCC[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420365647 489968905 /nfs/dbraw/zinc/96/89/05/489968905.db2.gz FDFCPCHAYVXIOQ-IBGZPJMESA-N 2 1 360.502 0.771 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374766 489969902 /nfs/dbraw/zinc/96/99/02/489969902.db2.gz SJLIKEXXHAEMSI-QZTJIDSGSA-N 2 1 354.539 0.957 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000477678788 489984352 /nfs/dbraw/zinc/98/43/52/489984352.db2.gz NWRHEHJIFFNEMN-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887231 489995023 /nfs/dbraw/zinc/99/50/23/489995023.db2.gz ACBYWBNZGKNXAA-VSZNYVQBSA-N 2 1 362.518 0.824 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000436512357 490008847 /nfs/dbraw/zinc/00/88/47/490008847.db2.gz MMSBGFSWLVKGEY-UHFFFAOYSA-N 2 1 368.522 0.995 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420785911 490022975 /nfs/dbraw/zinc/02/29/75/490022975.db2.gz AZKKDQQULSLLBM-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420785911 490022980 /nfs/dbraw/zinc/02/29/80/490022980.db2.gz AZKKDQQULSLLBM-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP COCC[C@H](C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000463678344 490024171 /nfs/dbraw/zinc/02/41/71/490024171.db2.gz PHUHYIKETPQFSR-INIZCTEOSA-N 2 1 370.519 0.938 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)onc1N ZINC000439164515 490038718 /nfs/dbraw/zinc/03/87/18/490038718.db2.gz BXNWKMNGZGBQSE-ZDUSSCGKSA-N 2 1 359.496 0.602 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378316234 490047301 /nfs/dbraw/zinc/04/73/01/490047301.db2.gz NGQKWRDORYYKCN-QZTJIDSGSA-N 2 1 367.538 0.376 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000441663247 490055479 /nfs/dbraw/zinc/05/54/79/490055479.db2.gz LNWOLEMRDXVBBC-UHFFFAOYSA-N 2 1 351.499 0.592 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058088 490065841 /nfs/dbraw/zinc/06/58/41/490065841.db2.gz JDKPKBHGUZXPTQ-CYBMUJFWSA-N 2 1 366.487 0.284 20 0 FCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000443057439 490065860 /nfs/dbraw/zinc/06/58/60/490065860.db2.gz GOYHCLZXMLKMKJ-MRXNPFEDSA-N 2 1 350.507 0.908 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479202475 490073906 /nfs/dbraw/zinc/07/39/06/490073906.db2.gz QMJSEAFCDAZVRE-GOEBONIOSA-N 2 1 350.438 0.572 20 0 FCADMP COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)C[NH+](C)C)CC2)cc1 ZINC000491058131 490075260 /nfs/dbraw/zinc/07/52/60/490075260.db2.gz HDMGBHNVRNJCLV-HNNXBMFYSA-N 2 1 371.503 0.360 20 0 FCADMP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CC(=O)N(CCOC)C2=O)CC1 ZINC000465039512 490076021 /nfs/dbraw/zinc/07/60/21/490076021.db2.gz UPISRRWSSFEVSB-INIZCTEOSA-N 2 1 355.479 0.583 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506396459 490085603 /nfs/dbraw/zinc/08/56/03/490085603.db2.gz CFJIYPIIRBLODS-MRXNPFEDSA-N 2 1 372.513 0.754 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815854 490088817 /nfs/dbraw/zinc/08/88/17/490088817.db2.gz YMWMXRBUPFWSED-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000532672971 490094146 /nfs/dbraw/zinc/09/41/46/490094146.db2.gz BMEMFSPZFHJIBP-MOPGFXCFSA-N 2 1 366.550 0.898 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704833 490099561 /nfs/dbraw/zinc/09/95/61/490099561.db2.gz PXINFNCKIUFQGD-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000465358305 490111563 /nfs/dbraw/zinc/11/15/63/490111563.db2.gz MFIGWIFPXABZKM-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC000520204981 490117296 /nfs/dbraw/zinc/11/72/96/490117296.db2.gz VXAGCHCZXSMPSX-NCOADZHNSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379677476 490125353 /nfs/dbraw/zinc/12/53/53/490125353.db2.gz CPIQACGNTQKIFU-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000465554570 490130393 /nfs/dbraw/zinc/13/03/93/490130393.db2.gz YJCHVAIAFAYANQ-ZBFHGGJFSA-N 2 1 353.511 0.759 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000465554570 490130400 /nfs/dbraw/zinc/13/04/00/490130400.db2.gz YJCHVAIAFAYANQ-ZBFHGGJFSA-N 2 1 353.511 0.759 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)C(C)(C)C ZINC000479886243 490133148 /nfs/dbraw/zinc/13/31/48/490133148.db2.gz JGRGFLAKIHCECB-CQSZACIVSA-N 2 1 358.552 0.634 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000465864951 490149940 /nfs/dbraw/zinc/14/99/40/490149940.db2.gz RUUKBDSWMSNARO-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000422102411 490153643 /nfs/dbraw/zinc/15/36/43/490153643.db2.gz MXMZKMJJZVNYDM-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000465950501 490155476 /nfs/dbraw/zinc/15/54/76/490155476.db2.gz OTGKMFGZCROFOW-ROUUACIJSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000465950501 490155485 /nfs/dbraw/zinc/15/54/85/490155485.db2.gz OTGKMFGZCROFOW-ROUUACIJSA-N 3 1 369.554 0.765 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000465950501 490155494 /nfs/dbraw/zinc/15/54/94/490155494.db2.gz OTGKMFGZCROFOW-ROUUACIJSA-N 3 1 369.554 0.765 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000465949290 490156005 /nfs/dbraw/zinc/15/60/05/490156005.db2.gz DOAHFWKEMNJJMH-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950512 490156583 /nfs/dbraw/zinc/15/65/83/490156583.db2.gz OVHHTSFXZKVBGV-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP CCOC1CC(C[NH2+]C2CC[NH+](CCOC)CC2)(N2CCOCC2)C1 ZINC000446840200 490164949 /nfs/dbraw/zinc/16/49/49/490164949.db2.gz DVWNSPAIRBGJTE-UHFFFAOYSA-N 2 1 355.523 0.957 20 0 FCADMP Cn1cc([C@@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@H]2CO)cn1 ZINC000446900889 490170315 /nfs/dbraw/zinc/17/03/15/490170315.db2.gz SOLRNFJCUAIPSL-ROUUACIJSA-N 2 1 371.489 0.170 20 0 FCADMP Cn1cc([C@@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@H]2CO)cn1 ZINC000446900889 490170321 /nfs/dbraw/zinc/17/03/21/490170321.db2.gz SOLRNFJCUAIPSL-ROUUACIJSA-N 2 1 371.489 0.170 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1CCOC ZINC000422129853 490179768 /nfs/dbraw/zinc/17/97/68/490179768.db2.gz ZZRSEQAAHAFMMD-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000422129853 490179777 /nfs/dbraw/zinc/17/97/77/490179777.db2.gz ZZRSEQAAHAFMMD-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000422129853 490179783 /nfs/dbraw/zinc/17/97/83/490179783.db2.gz ZZRSEQAAHAFMMD-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000422129853 490179788 /nfs/dbraw/zinc/17/97/88/490179788.db2.gz ZZRSEQAAHAFMMD-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000520695002 490180332 /nfs/dbraw/zinc/18/03/32/490180332.db2.gz KDHAXYAFLJSWKJ-FAJBIJEISA-N 2 1 357.539 0.481 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@H](C)C1 ZINC000497610600 490183101 /nfs/dbraw/zinc/18/31/01/490183101.db2.gz NKBKFNRKNVLKDM-BZSNNMDCSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@H](C)C1 ZINC000497610600 490183112 /nfs/dbraw/zinc/18/31/12/490183112.db2.gz NKBKFNRKNVLKDM-BZSNNMDCSA-N 2 1 370.538 0.831 20 0 FCADMP C[C@@](O)(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000447045692 490184854 /nfs/dbraw/zinc/18/48/54/490184854.db2.gz CIPFOQQAUHGDSE-GOSISDBHSA-N 2 1 354.495 0.243 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770596 490188205 /nfs/dbraw/zinc/18/82/05/490188205.db2.gz JSMUVPLTLLUKPA-MSOLQXFVSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000520770596 490188211 /nfs/dbraw/zinc/18/82/11/490188211.db2.gz JSMUVPLTLLUKPA-MSOLQXFVSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000520770596 490188218 /nfs/dbraw/zinc/18/82/18/490188218.db2.gz JSMUVPLTLLUKPA-MSOLQXFVSA-N 2 1 373.501 0.750 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000497685978 490192813 /nfs/dbraw/zinc/19/28/13/490192813.db2.gz FHTMSHLWDOHLDV-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000497685978 490192821 /nfs/dbraw/zinc/19/28/21/490192821.db2.gz FHTMSHLWDOHLDV-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000497685978 490192832 /nfs/dbraw/zinc/19/28/32/490192832.db2.gz FHTMSHLWDOHLDV-BRWVUGGUSA-N 2 1 365.522 0.665 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000497707404 490198419 /nfs/dbraw/zinc/19/84/19/490198419.db2.gz ZFWOMRDNNJOOKM-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP C[NH+](C)CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000466591123 490198714 /nfs/dbraw/zinc/19/87/14/490198714.db2.gz YLCAIRDEKGUBCU-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571423018 491307013 /nfs/dbraw/zinc/30/70/13/491307013.db2.gz FRAXADSUMDVVOR-IXDOHACOSA-N 2 1 368.522 0.591 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571423018 491307015 /nfs/dbraw/zinc/30/70/15/491307015.db2.gz FRAXADSUMDVVOR-IXDOHACOSA-N 2 1 368.522 0.591 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000480621126 490218157 /nfs/dbraw/zinc/21/81/57/490218157.db2.gz IWGOTJPCRGBIQI-HNNXBMFYSA-N 2 1 357.520 0.815 20 0 FCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000497852710 490222934 /nfs/dbraw/zinc/22/29/34/490222934.db2.gz KVCQMPDNNWOGQX-IKGGRYGDSA-N 2 1 365.522 0.842 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000571497955 491311603 /nfs/dbraw/zinc/31/16/03/491311603.db2.gz TWSDWSYJEYOLQE-WSTZPKSXSA-N 2 1 374.529 0.889 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000557381367 491371347 /nfs/dbraw/zinc/37/13/47/491371347.db2.gz OTSYMPBVYKBRNW-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547525070 490308917 /nfs/dbraw/zinc/30/89/17/490308917.db2.gz CNUVHZHZYTXOJI-UHFFFAOYSA-N 2 1 374.532 0.899 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000498643041 490320191 /nfs/dbraw/zinc/32/01/91/490320191.db2.gz AZWVVNAIEHDSTQ-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000467694498 490331065 /nfs/dbraw/zinc/33/10/65/490331065.db2.gz FXNJCHZRZLDQPF-AGUYFDCRSA-N 2 1 358.442 0.940 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000422485672 490350906 /nfs/dbraw/zinc/35/09/06/490350906.db2.gz FJABGSRVZFQFHZ-IRXDYDNUSA-N 2 1 350.507 0.779 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000422493670 490359575 /nfs/dbraw/zinc/35/95/75/490359575.db2.gz YVVUJGFALXYQPF-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000422497013 490360969 /nfs/dbraw/zinc/36/09/69/490360969.db2.gz UYLXPNDSBULAGX-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289279 490366335 /nfs/dbraw/zinc/36/63/35/490366335.db2.gz ANDOFEQBJDHTEC-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289278 490366947 /nfs/dbraw/zinc/36/69/47/490366947.db2.gz ANDOFEQBJDHTEC-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000498965913 490373814 /nfs/dbraw/zinc/37/38/14/490373814.db2.gz YJTMFXJUMCXCNQ-UHFFFAOYSA-N 2 1 362.474 0.938 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000498966766 490374337 /nfs/dbraw/zinc/37/43/37/490374337.db2.gz FKOMTHUODDTRIO-ZWKOTPCHSA-N 2 1 369.554 0.501 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC2)c1 ZINC000410881520 490374414 /nfs/dbraw/zinc/37/44/14/490374414.db2.gz BWARYQSERYADHR-UHFFFAOYSA-N 2 1 361.490 0.837 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000484129506 490387568 /nfs/dbraw/zinc/38/75/68/490387568.db2.gz HOTLYLUGEOIYFZ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000484161846 490391088 /nfs/dbraw/zinc/39/10/88/490391088.db2.gz MWEILJZGJMMXMV-DOTOQJQBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342646 490391402 /nfs/dbraw/zinc/39/14/02/490391402.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000468342646 490391408 /nfs/dbraw/zinc/39/14/08/490391408.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342646 490391415 /nfs/dbraw/zinc/39/14/15/490391415.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 2 1 368.522 0.354 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739115 491324251 /nfs/dbraw/zinc/32/42/51/491324251.db2.gz BHGVUVJPFWASBD-RCCFBDPRSA-N 2 1 371.485 0.462 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723287 491325098 /nfs/dbraw/zinc/32/50/98/491325098.db2.gz FJYCDODNBZZQOC-MRXNPFEDSA-N 2 1 355.504 0.835 20 0 FCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2[C@H](C(=O)NC[C@H]3CC[N@H+](CC)C3)[C@H]2C)C1 ZINC000449814308 490428053 /nfs/dbraw/zinc/42/80/53/490428053.db2.gz KKDMILJYWYGJJL-UYTYNIKBSA-N 2 1 364.534 0.785 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2[C@H](C(=O)NC[C@@H]3CC[N@H+](CC)C3)[C@@H]2C)C1 ZINC000449814308 490428059 /nfs/dbraw/zinc/42/80/59/490428059.db2.gz KKDMILJYWYGJJL-UYTYNIKBSA-N 2 1 364.534 0.785 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2[C@H](C(=O)NC[C@@H]3CC[N@@H+](CC)C3)[C@@H]2C)C1 ZINC000449814308 490428063 /nfs/dbraw/zinc/42/80/63/490428063.db2.gz KKDMILJYWYGJJL-UYTYNIKBSA-N 2 1 364.534 0.785 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C[NH3+] ZINC000422625282 490433448 /nfs/dbraw/zinc/43/34/48/490433448.db2.gz BFHNGJKLANSFMC-BZUAXINKSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C[NH3+] ZINC000422625282 490433457 /nfs/dbraw/zinc/43/34/57/490433457.db2.gz BFHNGJKLANSFMC-BZUAXINKSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681892 491327512 /nfs/dbraw/zinc/32/75/12/491327512.db2.gz AWSMLZBQXHRADG-SJORKVTESA-N 2 1 350.507 0.526 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681892 491327514 /nfs/dbraw/zinc/32/75/14/491327514.db2.gz AWSMLZBQXHRADG-SJORKVTESA-N 2 1 350.507 0.526 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000509739908 490459487 /nfs/dbraw/zinc/45/94/87/490459487.db2.gz WTBNCDZUMCDHCY-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000509739908 490459494 /nfs/dbraw/zinc/45/94/94/490459494.db2.gz WTBNCDZUMCDHCY-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000509739908 490459498 /nfs/dbraw/zinc/45/94/98/490459498.db2.gz WTBNCDZUMCDHCY-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422759571 490472201 /nfs/dbraw/zinc/47/22/01/490472201.db2.gz LAIYDXPMHVOERY-HUUCEWRRSA-N 2 1 354.520 0.838 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccc(F)cc1 ZINC000571778351 491328802 /nfs/dbraw/zinc/32/88/02/491328802.db2.gz JVFGESOPPMWSKQ-JKSUJKDBSA-N 2 1 363.437 0.211 20 0 FCADMP CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523630537 490480119 /nfs/dbraw/zinc/48/01/19/490480119.db2.gz SFVLXMDDJRNVIS-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693095 490486332 /nfs/dbraw/zinc/48/63/32/490486332.db2.gz VDDVHAMBFNXAJB-NWDGAFQWSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2csc(NC(=O)[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC000523693095 490486338 /nfs/dbraw/zinc/48/63/38/490486338.db2.gz VDDVHAMBFNXAJB-NWDGAFQWSA-N 2 1 351.476 0.601 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NCc2csc(NC(=O)[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC000523693095 490486344 /nfs/dbraw/zinc/48/63/44/490486344.db2.gz VDDVHAMBFNXAJB-NWDGAFQWSA-N 2 1 351.476 0.601 20 0 FCADMP C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000535430474 490489733 /nfs/dbraw/zinc/48/97/33/490489733.db2.gz ITUDDXCEGPQZHI-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000422889531 490491622 /nfs/dbraw/zinc/49/16/22/490491622.db2.gz GKBLNBNDEJPPLK-KSSFIOAISA-N 2 1 354.454 0.950 20 0 FCADMP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025391 490522602 /nfs/dbraw/zinc/52/26/02/490522602.db2.gz LRBADIKGYDSGRS-WDSOQIARSA-N 2 1 362.518 0.632 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000423039710 490527481 /nfs/dbraw/zinc/52/74/81/490527481.db2.gz REINHFHHYAXDQX-UHFFFAOYSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423039693 490527494 /nfs/dbraw/zinc/52/74/94/490527494.db2.gz QZUWRVLNFJLZTF-PKOBYXMFSA-N 2 1 372.513 0.959 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423042048 490528617 /nfs/dbraw/zinc/52/86/17/490528617.db2.gz YJYZCHYQDHMYFE-LJQANCHMSA-N 2 1 372.513 0.961 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000485499881 490536107 /nfs/dbraw/zinc/53/61/07/490536107.db2.gz DRDOKNWBPRLWDV-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499881 490536114 /nfs/dbraw/zinc/53/61/14/490536114.db2.gz DRDOKNWBPRLWDV-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499881 490536121 /nfs/dbraw/zinc/53/61/21/490536121.db2.gz DRDOKNWBPRLWDV-GJZGRUSLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H](C)O1 ZINC000564908022 491335522 /nfs/dbraw/zinc/33/55/22/491335522.db2.gz ZOKSUJPVNUDBPD-BZUAXINKSA-N 2 1 364.494 0.731 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000564914921 491335802 /nfs/dbraw/zinc/33/58/02/491335802.db2.gz ANHXRPHBADSEMJ-ZNMIVQPWSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000564914921 491335803 /nfs/dbraw/zinc/33/58/03/491335803.db2.gz ANHXRPHBADSEMJ-ZNMIVQPWSA-N 2 1 354.495 0.249 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H]1CC ZINC000485814978 490560322 /nfs/dbraw/zinc/56/03/22/490560322.db2.gz HNHBXIXOSGFIKT-CVEARBPZSA-N 2 1 364.494 0.776 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H]1CC ZINC000485814978 490560326 /nfs/dbraw/zinc/56/03/26/490560326.db2.gz HNHBXIXOSGFIKT-CVEARBPZSA-N 2 1 364.494 0.776 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511136654 490565458 /nfs/dbraw/zinc/56/54/58/490565458.db2.gz JTTPCGDAJKVAAX-HNNXBMFYSA-N 2 1 374.551 0.190 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511136654 490565461 /nfs/dbraw/zinc/56/54/61/490565461.db2.gz JTTPCGDAJKVAAX-HNNXBMFYSA-N 2 1 374.551 0.190 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000564922547 491337051 /nfs/dbraw/zinc/33/70/51/491337051.db2.gz XEDQQCSSKAWJFO-ROUUACIJSA-N 2 1 358.486 0.535 20 0 FCADMP O[C@@H](COCc1ccco1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501114513 490579894 /nfs/dbraw/zinc/57/98/94/490579894.db2.gz COWWYEPPJUTGQY-MRXNPFEDSA-N 2 1 354.447 0.316 20 0 FCADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000525305982 490594917 /nfs/dbraw/zinc/59/49/17/490594917.db2.gz XCIWUCRZEPNOTH-KRWDZBQOSA-N 3 1 356.559 0.005 20 0 FCADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000525305983 490594983 /nfs/dbraw/zinc/59/49/83/490594983.db2.gz XCIWUCRZEPNOTH-QGZVFWFLSA-N 3 1 356.559 0.005 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000525302923 490595507 /nfs/dbraw/zinc/59/55/07/490595507.db2.gz ZNBLNHXGFUFVRZ-IAGOWNOFSA-N 2 1 365.522 0.844 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000486214819 490599058 /nfs/dbraw/zinc/59/90/58/490599058.db2.gz LZLQKPBSCVNLQO-SJLPKXTDSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000486214819 490599061 /nfs/dbraw/zinc/59/90/61/490599061.db2.gz LZLQKPBSCVNLQO-SJLPKXTDSA-N 2 1 364.534 0.977 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000486326636 490610521 /nfs/dbraw/zinc/61/05/21/490610521.db2.gz NWWQYJPXXKLHFO-CABCVRRESA-N 2 1 362.478 0.125 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501519855 490611564 /nfs/dbraw/zinc/61/15/64/490611564.db2.gz CVKMKJZXWWFIQJ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501519855 490611568 /nfs/dbraw/zinc/61/15/68/490611568.db2.gz CVKMKJZXWWFIQJ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000486352067 490613322 /nfs/dbraw/zinc/61/33/22/490613322.db2.gz JCAZWBGDJTXMBA-HNNXBMFYSA-N 2 1 362.478 0.090 20 0 FCADMP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686643 490620074 /nfs/dbraw/zinc/62/00/74/490620074.db2.gz XTMKGRAHNAZXQM-MRXNPFEDSA-N 2 1 354.495 0.108 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000525688395 490621254 /nfs/dbraw/zinc/62/12/54/490621254.db2.gz BZLAYWPLYQOGNW-CVEARBPZSA-N 2 1 364.490 0.304 20 0 FCADMP CCC[C@@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000501607181 490622488 /nfs/dbraw/zinc/62/24/88/490622488.db2.gz ZQWMGVYQPMJKIJ-GOSISDBHSA-N 2 1 354.539 0.973 20 0 FCADMP CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000525702527 490623879 /nfs/dbraw/zinc/62/38/79/490623879.db2.gz PITIKFOVOKLFBV-JKSUJKDBSA-N 2 1 366.506 0.694 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556851714 491340928 /nfs/dbraw/zinc/34/09/28/491340928.db2.gz MUTAEBKBZOAWLB-ICSRJNTNSA-N 2 1 359.470 0.460 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556851714 491340930 /nfs/dbraw/zinc/34/09/30/491340930.db2.gz MUTAEBKBZOAWLB-ICSRJNTNSA-N 2 1 359.470 0.460 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501619631 490624858 /nfs/dbraw/zinc/62/48/58/490624858.db2.gz CQXMJFJLEKSDGB-QGPMSJSTSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619631 490624861 /nfs/dbraw/zinc/62/48/61/490624861.db2.gz CQXMJFJLEKSDGB-QGPMSJSTSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619631 490624867 /nfs/dbraw/zinc/62/48/67/490624867.db2.gz CQXMJFJLEKSDGB-QGPMSJSTSA-N 2 1 362.518 0.966 20 0 FCADMP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)(N2CCOCC2)CC1 ZINC000556849162 491340938 /nfs/dbraw/zinc/34/09/38/491340938.db2.gz JJDICZJUBMWWAM-INIZCTEOSA-N 2 1 365.522 0.319 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122045 490626811 /nfs/dbraw/zinc/62/68/11/490626811.db2.gz ONZRCHKSDZJROY-RDTXWAMCSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635903 490627536 /nfs/dbraw/zinc/62/75/36/490627536.db2.gz GVRXVVFZFNJFMG-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638723 490629872 /nfs/dbraw/zinc/62/98/72/490629872.db2.gz LGPKHBQMGHGKBE-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638723 490629876 /nfs/dbraw/zinc/62/98/76/490629876.db2.gz LGPKHBQMGHGKBE-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000501638723 490629878 /nfs/dbraw/zinc/62/98/78/490629878.db2.gz LGPKHBQMGHGKBE-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486492496 490640103 /nfs/dbraw/zinc/64/01/03/490640103.db2.gz DTUHZQAGUIXKNX-RGQDEETRSA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486492496 490640108 /nfs/dbraw/zinc/64/01/08/490640108.db2.gz DTUHZQAGUIXKNX-RGQDEETRSA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486492496 490640113 /nfs/dbraw/zinc/64/01/13/490640113.db2.gz DTUHZQAGUIXKNX-RGQDEETRSA-N 2 1 368.522 0.019 20 0 FCADMP COC(=O)c1ccccc1NC(=O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564985715 491343415 /nfs/dbraw/zinc/34/34/15/491343415.db2.gz KWKAUCWOADIOBZ-AWEZNQCLSA-N 2 1 374.441 0.308 20 0 FCADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)N1CCC(C)CC1 ZINC000512243132 490667084 /nfs/dbraw/zinc/66/70/84/490667084.db2.gz OIMGMMIDDHCYBB-SFHVURJKSA-N 2 1 354.539 0.613 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550465090 490671738 /nfs/dbraw/zinc/67/17/38/490671738.db2.gz XNTNTBFPNILNOG-NVXWUHKLSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292992 490672029 /nfs/dbraw/zinc/67/20/29/490672029.db2.gz CRGQVXFQHUQGBJ-CYBMUJFWSA-N 2 1 354.476 0.546 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486807606 490673314 /nfs/dbraw/zinc/67/33/14/490673314.db2.gz ICOADIYTCKXIEZ-KKFZBWNWSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486807606 490673319 /nfs/dbraw/zinc/67/33/19/490673319.db2.gz ICOADIYTCKXIEZ-KKFZBWNWSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486807606 490673327 /nfs/dbraw/zinc/67/33/27/490673327.db2.gz ICOADIYTCKXIEZ-KKFZBWNWSA-N 2 1 364.534 0.925 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000487089539 490692245 /nfs/dbraw/zinc/69/22/45/490692245.db2.gz WDWOTMSGQNKWPY-KRWDZBQOSA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000487089539 490692247 /nfs/dbraw/zinc/69/22/47/490692247.db2.gz WDWOTMSGQNKWPY-KRWDZBQOSA-N 2 1 367.538 0.959 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000502392087 490703446 /nfs/dbraw/zinc/70/34/46/490703446.db2.gz MNUVPZJLTGPENV-IAGOWNOFSA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000502392087 490703447 /nfs/dbraw/zinc/70/34/47/490703447.db2.gz MNUVPZJLTGPENV-IAGOWNOFSA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000502392087 490703451 /nfs/dbraw/zinc/70/34/51/490703451.db2.gz MNUVPZJLTGPENV-IAGOWNOFSA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000502392087 490703454 /nfs/dbraw/zinc/70/34/54/490703454.db2.gz MNUVPZJLTGPENV-IAGOWNOFSA-N 2 1 369.506 0.973 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513231290 490715877 /nfs/dbraw/zinc/71/58/77/490715877.db2.gz UQAVASQPHDPOOI-GJZGRUSLSA-N 2 1 367.494 0.193 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513231290 490715881 /nfs/dbraw/zinc/71/58/81/490715881.db2.gz UQAVASQPHDPOOI-GJZGRUSLSA-N 2 1 367.494 0.193 20 0 FCADMP C[C@@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000572121808 491349962 /nfs/dbraw/zinc/34/99/62/491349962.db2.gz FRJIMEXSACPVBR-LJQANCHMSA-N 2 1 366.506 0.063 20 0 FCADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513964008 490756515 /nfs/dbraw/zinc/75/65/15/490756515.db2.gz AJODVQLBLBHHER-CQSZACIVSA-N 2 1 368.503 0.491 20 0 FCADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513964008 490756519 /nfs/dbraw/zinc/75/65/19/490756519.db2.gz AJODVQLBLBHHER-CQSZACIVSA-N 2 1 368.503 0.491 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000514141409 490763562 /nfs/dbraw/zinc/76/35/62/490763562.db2.gz FBQMFJKTCCRKPO-CABCVRRESA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000514141409 490763565 /nfs/dbraw/zinc/76/35/65/490763565.db2.gz FBQMFJKTCCRKPO-CABCVRRESA-N 2 1 353.511 0.616 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000514211202 490765986 /nfs/dbraw/zinc/76/59/86/490765986.db2.gz OWGGQCXCAREQBS-ZACQAIPSSA-N 2 1 361.552 0.995 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000514816672 490790595 /nfs/dbraw/zinc/79/05/95/490790595.db2.gz LHOYKRGTUSEQKS-YQFWSFKMSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000514816672 490790597 /nfs/dbraw/zinc/79/05/97/490790597.db2.gz LHOYKRGTUSEQKS-YQFWSFKMSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000514816672 490790599 /nfs/dbraw/zinc/79/05/99/490790599.db2.gz LHOYKRGTUSEQKS-YQFWSFKMSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156136 491356208 /nfs/dbraw/zinc/35/62/08/491356208.db2.gz IEELOITYNQCWHS-HIFRSBDPSA-N 2 1 368.503 0.194 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000540328099 490817320 /nfs/dbraw/zinc/81/73/20/490817320.db2.gz IXAAKLBXHDVCBO-CVEARBPZSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000540328099 490817322 /nfs/dbraw/zinc/81/73/22/490817322.db2.gz IXAAKLBXHDVCBO-CVEARBPZSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000540328099 490817324 /nfs/dbraw/zinc/81/73/24/490817324.db2.gz IXAAKLBXHDVCBO-CVEARBPZSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC000540328099 490817326 /nfs/dbraw/zinc/81/73/26/490817326.db2.gz IXAAKLBXHDVCBO-CVEARBPZSA-N 2 1 354.495 0.996 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCNS(C)(=O)=O)CC2)CC1 ZINC000515343587 490820658 /nfs/dbraw/zinc/82/06/58/490820658.db2.gz QAEPISJYMJXPAE-UHFFFAOYSA-N 2 1 374.551 0.238 20 0 FCADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000515385021 490823493 /nfs/dbraw/zinc/82/34/93/490823493.db2.gz UITQMAYQCQABRW-UHFFFAOYSA-N 2 1 368.503 0.902 20 0 FCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565188582 491358412 /nfs/dbraw/zinc/35/84/12/491358412.db2.gz DHPYZSNPDQLNMP-UHFFFAOYSA-N 2 1 369.473 0.666 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC000565184924 491358451 /nfs/dbraw/zinc/35/84/51/491358451.db2.gz DVMLABDTRXWHBE-IRXDYDNUSA-N 2 1 366.506 0.332 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000529374290 490857052 /nfs/dbraw/zinc/85/70/52/490857052.db2.gz DXPQCXRGWVAICY-RCCFBDPRSA-N 2 1 362.474 0.157 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000516207292 490857097 /nfs/dbraw/zinc/85/70/97/490857097.db2.gz MSHUZCGXGSYJKD-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572304674 491361937 /nfs/dbraw/zinc/36/19/37/491361937.db2.gz XFEWAHQQHUWXDK-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000529377339 490858487 /nfs/dbraw/zinc/85/84/87/490858487.db2.gz VDYLOJMGHQZWLK-KURKYZTESA-N 2 1 362.474 0.157 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000557251269 491362583 /nfs/dbraw/zinc/36/25/83/491362583.db2.gz RFOAELUPKWEBRS-QGZVFWFLSA-N 2 1 368.522 0.405 20 0 FCADMP [NH3+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000516571175 490868971 /nfs/dbraw/zinc/86/89/71/490868971.db2.gz RWTJXINUKCMYRI-SJORKVTESA-N 2 1 366.506 0.430 20 0 FCADMP [NH3+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000516571172 490869022 /nfs/dbraw/zinc/86/90/22/490869022.db2.gz RWTJXINUKCMYRI-DLBZAZTESA-N 2 1 366.506 0.430 20 0 FCADMP COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000541761124 490871553 /nfs/dbraw/zinc/87/15/53/490871553.db2.gz YDJXMHYDODLVSK-QGZVFWFLSA-N 2 1 351.451 0.286 20 0 FCADMP COC[C@](C)(CC(=O)OC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000541761121 490871608 /nfs/dbraw/zinc/87/16/08/490871608.db2.gz YDJXMHYDODLVSK-KRWDZBQOSA-N 2 1 351.451 0.286 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCC1 ZINC000541839710 490875043 /nfs/dbraw/zinc/87/50/43/490875043.db2.gz UFBRHZGNVABINE-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000557261489 491363463 /nfs/dbraw/zinc/36/34/63/491363463.db2.gz MBHXSJPBZAQEGB-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760116 490876836 /nfs/dbraw/zinc/87/68/36/490876836.db2.gz WAAMYEIKWWKMAJ-WMZOPIPTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517059594 490893378 /nfs/dbraw/zinc/89/33/78/490893378.db2.gz WGLOTFUUSCVPOQ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517145877 490896861 /nfs/dbraw/zinc/89/68/61/490896861.db2.gz XQUUODVMWJVBRC-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP COC[C@]1(CNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000517238472 490900600 /nfs/dbraw/zinc/90/06/00/490900600.db2.gz IRURWQDHDJDOEX-HXUWFJFHSA-N 2 1 360.502 0.932 20 0 FCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000517366228 490905612 /nfs/dbraw/zinc/90/56/12/490905612.db2.gz YSUYSIGJDCNKIV-QAPCUYQASA-N 2 1 374.485 0.962 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000542777820 490908560 /nfs/dbraw/zinc/90/85/60/490908560.db2.gz CCWGOKQUBDSPMG-RDJZCZTQSA-N 2 1 365.522 0.665 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000517703895 490917242 /nfs/dbraw/zinc/91/72/42/490917242.db2.gz VLIRTWVLKUAKMK-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000517703895 490917245 /nfs/dbraw/zinc/91/72/45/490917245.db2.gz VLIRTWVLKUAKMK-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703895 490917246 /nfs/dbraw/zinc/91/72/46/490917246.db2.gz VLIRTWVLKUAKMK-IAGOWNOFSA-N 2 1 365.522 0.666 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)[NH+](C)C ZINC000517885081 490924053 /nfs/dbraw/zinc/92/40/53/490924053.db2.gz UZTUAMCYAHPPAJ-GDBMZVCRSA-N 2 1 350.463 0.928 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000517918512 490924372 /nfs/dbraw/zinc/92/43/72/490924372.db2.gz VBJDCIXAHGSBFE-NVXWUHKLSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000565253878 491366116 /nfs/dbraw/zinc/36/61/16/491366116.db2.gz KLTIVABAYLTWBD-KFWWJZLASA-N 2 1 351.495 0.450 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000518685435 490948711 /nfs/dbraw/zinc/94/87/11/490948711.db2.gz LTJIMSGHPLGYDA-CRAIPNDOSA-N 2 1 356.511 0.489 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000518685435 490948714 /nfs/dbraw/zinc/94/87/14/490948714.db2.gz LTJIMSGHPLGYDA-CRAIPNDOSA-N 2 1 356.511 0.489 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000518880377 490954719 /nfs/dbraw/zinc/95/47/19/490954719.db2.gz YIRMGIJOJSJXJE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000518880377 490954722 /nfs/dbraw/zinc/95/47/22/490954722.db2.gz YIRMGIJOJSJXJE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000518880377 490954723 /nfs/dbraw/zinc/95/47/23/490954723.db2.gz YIRMGIJOJSJXJE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000518880377 490954725 /nfs/dbraw/zinc/95/47/25/490954725.db2.gz YIRMGIJOJSJXJE-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP CN(CCC[NH+]1CCCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000544008103 490954990 /nfs/dbraw/zinc/95/49/90/490954990.db2.gz LTDSBYSJZKRVBX-INIZCTEOSA-N 2 1 353.511 0.701 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000531584011 490965578 /nfs/dbraw/zinc/96/55/78/490965578.db2.gz FFWVXQJHNAZVPW-QGZVFWFLSA-N 2 1 369.579 0.845 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000531681029 490970598 /nfs/dbraw/zinc/97/05/98/490970598.db2.gz RMXJISKEGJMHSX-CVEARBPZSA-N 2 1 354.495 0.386 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)C2)CC1 ZINC000532343161 490991432 /nfs/dbraw/zinc/99/14/32/490991432.db2.gz GHRXANXEVBJZGD-ZWKOTPCHSA-N 2 1 351.539 0.249 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC1 ZINC000569483368 491163831 /nfs/dbraw/zinc/16/38/31/491163831.db2.gz HLNZBGGSOSMNFG-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC000553996420 491168279 /nfs/dbraw/zinc/16/82/79/491168279.db2.gz IBIBXCRUTBQQHG-DQIHPLBOSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996420 491168284 /nfs/dbraw/zinc/16/82/84/491168284.db2.gz IBIBXCRUTBQQHG-DQIHPLBOSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996420 491168286 /nfs/dbraw/zinc/16/82/86/491168286.db2.gz IBIBXCRUTBQQHG-DQIHPLBOSA-N 2 1 365.522 0.852 20 0 FCADMP CC(C)(CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000569576171 491169821 /nfs/dbraw/zinc/16/98/21/491169821.db2.gz PWMQKBKBVNQIJV-INIZCTEOSA-N 2 1 365.522 0.857 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000569624785 491175325 /nfs/dbraw/zinc/17/53/25/491175325.db2.gz YWHPAXUFZLFEIL-UHFFFAOYSA-N 2 1 374.551 0.190 20 0 FCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000565358119 491371824 /nfs/dbraw/zinc/37/18/24/491371824.db2.gz ICNWNVZLLHPENW-LNLFQRSKSA-N 2 1 357.539 0.936 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000565372718 491373240 /nfs/dbraw/zinc/37/32/40/491373240.db2.gz NDRMRMZTRJYIEG-ZTFGCOKTSA-N 2 1 371.485 0.387 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000557558049 491382164 /nfs/dbraw/zinc/38/21/64/491382164.db2.gz CKVJQTRDMGDJMK-OAHLLOKOSA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)CC(O)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000572634521 491383112 /nfs/dbraw/zinc/38/31/12/491383112.db2.gz VMDAMNUECBXNQP-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP COc1cnc(NC[C@@H]2CCC[N@@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573477 491384572 /nfs/dbraw/zinc/38/45/72/491384572.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@H+](C)C1 ZINC000557573477 491384575 /nfs/dbraw/zinc/38/45/75/491384575.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000557573477 491384577 /nfs/dbraw/zinc/38/45/77/491384577.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 2 1 362.522 0.836 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000572684156 491386889 /nfs/dbraw/zinc/38/68/89/491386889.db2.gz VNTAAPCNIZLRGH-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000572684156 491386891 /nfs/dbraw/zinc/38/68/91/491386891.db2.gz VNTAAPCNIZLRGH-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1(C[NH3+])CCC1 ZINC000565599022 491387961 /nfs/dbraw/zinc/38/79/61/491387961.db2.gz BPAPAHJYZDQVLR-UHFFFAOYSA-N 2 1 368.503 0.196 20 0 FCADMP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1(C[NH3+])CCC1 ZINC000565599022 491387962 /nfs/dbraw/zinc/38/79/62/491387962.db2.gz BPAPAHJYZDQVLR-UHFFFAOYSA-N 2 1 368.503 0.196 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000565610664 491389022 /nfs/dbraw/zinc/38/90/22/491389022.db2.gz XXPHKOLITBOPFF-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000557742102 491395319 /nfs/dbraw/zinc/39/53/19/491395319.db2.gz JPFZZJRJDMYFAE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000557742102 491395320 /nfs/dbraw/zinc/39/53/20/491395320.db2.gz JPFZZJRJDMYFAE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000557742102 491395323 /nfs/dbraw/zinc/39/53/23/491395323.db2.gz JPFZZJRJDMYFAE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751273 491396064 /nfs/dbraw/zinc/39/60/64/491396064.db2.gz RCVYZQAVQOJELS-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000557751273 491396065 /nfs/dbraw/zinc/39/60/65/491396065.db2.gz RCVYZQAVQOJELS-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000557751273 491396066 /nfs/dbraw/zinc/39/60/66/491396066.db2.gz RCVYZQAVQOJELS-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000572862475 491398627 /nfs/dbraw/zinc/39/86/27/491398627.db2.gz HXGSZWQZZFLICY-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000572897666 491400524 /nfs/dbraw/zinc/40/05/24/491400524.db2.gz RNUIGPJBKFPMMF-MRXNPFEDSA-N 2 1 350.511 0.448 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000565826633 491402038 /nfs/dbraw/zinc/40/20/38/491402038.db2.gz WRAKWGOZXJOJIM-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000565826633 491402041 /nfs/dbraw/zinc/40/20/41/491402041.db2.gz WRAKWGOZXJOJIM-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565826633 491402044 /nfs/dbraw/zinc/40/20/44/491402044.db2.gz WRAKWGOZXJOJIM-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000565826633 491402046 /nfs/dbraw/zinc/40/20/46/491402046.db2.gz WRAKWGOZXJOJIM-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000573075274 491410507 /nfs/dbraw/zinc/41/05/07/491410507.db2.gz UIONKRGDZUIQCU-QLFBSQMISA-N 2 1 371.489 0.988 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H](C)C1 ZINC000573102917 491413240 /nfs/dbraw/zinc/41/32/40/491413240.db2.gz RBSNOBZYFHYIMY-CVEARBPZSA-N 2 1 356.511 0.260 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000558105941 491414356 /nfs/dbraw/zinc/41/43/56/491414356.db2.gz ZBIFFGNXBBDCPA-XIRDDKMYSA-N 2 1 368.522 0.327 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000566066046 491415192 /nfs/dbraw/zinc/41/51/92/491415192.db2.gz XZBFZCQSLARPJB-INIZCTEOSA-N 2 1 364.515 0.693 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368566 493341810 /nfs/dbraw/zinc/34/18/10/493341810.db2.gz BNLRTJXIJUEMLX-ROUUACIJSA-N 2 1 360.502 0.876 20 0 FCADMP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566129630 491419282 /nfs/dbraw/zinc/41/92/82/491419282.db2.gz GWMUWSMHKLPDIN-GOEBONIOSA-N 2 1 355.504 0.788 20 0 FCADMP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566129630 491419284 /nfs/dbraw/zinc/41/92/84/491419284.db2.gz GWMUWSMHKLPDIN-GOEBONIOSA-N 2 1 355.504 0.788 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000566171683 491422560 /nfs/dbraw/zinc/42/25/60/491422560.db2.gz KBHDLECVVNXHHS-KRWDZBQOSA-N 2 1 360.458 0.003 20 0 FCADMP C[C@@H]1CCN(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000558358580 491427352 /nfs/dbraw/zinc/42/73/52/491427352.db2.gz AZUDWNBUDCQPIP-MRXNPFEDSA-N 2 1 367.519 0.770 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346210 491428028 /nfs/dbraw/zinc/42/80/28/491428028.db2.gz BBKPWGVGOJFJJQ-KGLIPLIRSA-N 2 1 365.444 0.948 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000573547199 491439834 /nfs/dbraw/zinc/43/98/34/491439834.db2.gz XQPIDOOFYBBIFC-ATZDWAIDSA-N 2 1 372.513 0.874 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000573590431 491442595 /nfs/dbraw/zinc/44/25/95/491442595.db2.gz PZDDHZFKJUHXAB-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000573590431 491442596 /nfs/dbraw/zinc/44/25/96/491442596.db2.gz PZDDHZFKJUHXAB-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000573590431 491442599 /nfs/dbraw/zinc/44/25/99/491442599.db2.gz PZDDHZFKJUHXAB-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000573590431 491442600 /nfs/dbraw/zinc/44/26/00/491442600.db2.gz PZDDHZFKJUHXAB-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000566575714 491454445 /nfs/dbraw/zinc/45/44/45/491454445.db2.gz FRTRYZGBJPOJIR-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000566751486 491464860 /nfs/dbraw/zinc/46/48/60/491464860.db2.gz UBOMBHLHWLOLEN-HLLBOEOZSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000566751486 491464862 /nfs/dbraw/zinc/46/48/62/491464862.db2.gz UBOMBHLHWLOLEN-HLLBOEOZSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000566751486 491464865 /nfs/dbraw/zinc/46/48/65/491464865.db2.gz UBOMBHLHWLOLEN-HLLBOEOZSA-N 2 1 366.506 0.201 20 0 FCADMP Cc1cccc(NC(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1C ZINC000573972334 491466703 /nfs/dbraw/zinc/46/67/03/491466703.db2.gz KDSNJWSOMZESEU-UHFFFAOYSA-N 2 1 359.518 0.765 20 0 FCADMP CC[C@H]1CN(CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000566787010 491466760 /nfs/dbraw/zinc/46/67/60/491466760.db2.gz QILNPKTXZMJAAY-ABHNRTSZSA-N 2 1 367.538 0.613 20 0 FCADMP C[N@@H+](CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000566912936 491474802 /nfs/dbraw/zinc/47/48/02/491474802.db2.gz NCUCWSMWVCZOHE-MRXNPFEDSA-N 2 1 350.438 0.632 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000567009967 491480506 /nfs/dbraw/zinc/48/05/06/491480506.db2.gz LQHCLYPAZUKFBC-UHFFFAOYSA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c2ccccc2)CC1 ZINC000567052313 491482834 /nfs/dbraw/zinc/48/28/34/491482834.db2.gz VPHVPKDLSOFOTF-OTWHNJEPSA-N 2 1 358.486 0.564 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1c1cccc(F)c1 ZINC000574269246 491485000 /nfs/dbraw/zinc/48/50/00/491485000.db2.gz YSLSEHXJFJVOEF-ZWKOTPCHSA-N 2 1 374.460 0.776 20 0 FCADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000683257125 493341540 /nfs/dbraw/zinc/34/15/40/493341540.db2.gz WGJABNCWGRRLIL-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000683257125 493341543 /nfs/dbraw/zinc/34/15/43/493341543.db2.gz WGJABNCWGRRLIL-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000574299325 491487641 /nfs/dbraw/zinc/48/76/41/491487641.db2.gz BLAUKAQBMCZWBJ-INIZCTEOSA-N 2 1 368.522 0.945 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000574339805 491490307 /nfs/dbraw/zinc/49/03/07/491490307.db2.gz VYKHAWDRZRPJGL-FXAWDEMLSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000574339805 491490310 /nfs/dbraw/zinc/49/03/10/491490310.db2.gz VYKHAWDRZRPJGL-FXAWDEMLSA-N 2 1 374.485 0.886 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000574339805 491490312 /nfs/dbraw/zinc/49/03/12/491490312.db2.gz VYKHAWDRZRPJGL-FXAWDEMLSA-N 2 1 374.485 0.886 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000574386428 491492398 /nfs/dbraw/zinc/49/23/98/491492398.db2.gz WEDYJXFZGXGEEN-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000574395548 491493151 /nfs/dbraw/zinc/49/31/51/491493151.db2.gz HNUVXTHAVBQFRU-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398048 491493538 /nfs/dbraw/zinc/49/35/38/491493538.db2.gz ZJHXEBRFBQGVCR-HOTGVXAUSA-N 2 1 363.510 0.034 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000567235822 491493562 /nfs/dbraw/zinc/49/35/62/491493562.db2.gz XULSURLKQYIHDT-NVXWUHKLSA-N 2 1 366.506 0.286 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000574446540 491497300 /nfs/dbraw/zinc/49/73/00/491497300.db2.gz FBODPZFYGQPGIM-HOTGVXAUSA-N 2 1 355.527 0.957 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000559763624 491497434 /nfs/dbraw/zinc/49/74/34/491497434.db2.gz QUOKPPUAGSKDIS-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000559763624 491497435 /nfs/dbraw/zinc/49/74/35/491497435.db2.gz QUOKPPUAGSKDIS-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000559763624 491497436 /nfs/dbraw/zinc/49/74/36/491497436.db2.gz QUOKPPUAGSKDIS-DLBZAZTESA-N 2 1 352.523 0.929 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@H]2C1 ZINC000567303119 491498570 /nfs/dbraw/zinc/49/85/70/491498570.db2.gz IOHCFKHEPBADDI-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000574510689 491501463 /nfs/dbraw/zinc/50/14/63/491501463.db2.gz QVLPZPBTUNYXFH-ZDUSSCGKSA-N 2 1 354.476 0.019 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000567368993 491502651 /nfs/dbraw/zinc/50/26/51/491502651.db2.gz NSUWCMXVHCPQQS-QKPAOTATSA-N 2 1 365.522 0.696 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000567724304 491525102 /nfs/dbraw/zinc/52/51/02/491525102.db2.gz XRGMQECYQXFDPY-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567735717 491526031 /nfs/dbraw/zinc/52/60/31/491526031.db2.gz QREKHGNARIOBHR-RCCFBDPRSA-N 2 1 358.486 0.950 20 0 FCADMP C[NH2+][C@@H](C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1)c1cnn(C)c1 ZINC000567796272 491530430 /nfs/dbraw/zinc/53/04/30/491530430.db2.gz OCMNVUVMDZFSGX-OAHLLOKOSA-N 2 1 351.451 0.072 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000574987072 491531636 /nfs/dbraw/zinc/53/16/36/491531636.db2.gz DCHQDWWKUIIOEF-UHFFFAOYSA-N 2 1 351.499 0.020 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916288 491541392 /nfs/dbraw/zinc/54/13/92/491541392.db2.gz POMYLPVTPLPJHJ-IAGOWNOFSA-N 2 1 372.469 0.335 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916288 491541393 /nfs/dbraw/zinc/54/13/93/491541393.db2.gz POMYLPVTPLPJHJ-IAGOWNOFSA-N 2 1 372.469 0.335 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000575243554 491547403 /nfs/dbraw/zinc/54/74/03/491547403.db2.gz LJBNHDHEFOWVQC-GBESFXJTSA-N 2 1 370.497 0.774 20 0 FCADMP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000560664226 491550935 /nfs/dbraw/zinc/55/09/35/491550935.db2.gz ZKRCAFFLOQKUHA-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC(C)CC1 ZINC000560763090 491555460 /nfs/dbraw/zinc/55/54/60/491555460.db2.gz LOESDANNJKWLQI-CVEARBPZSA-N 2 1 350.507 0.990 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000575733577 491556928 /nfs/dbraw/zinc/55/69/28/491556928.db2.gz CGLNKSGWBQAHLN-QGZVFWFLSA-N 2 1 363.506 0.492 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000560882961 491561239 /nfs/dbraw/zinc/56/12/39/491561239.db2.gz IHIXRKWUAQEGLR-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP [NH3+]CCn1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)nn1 ZINC000568257138 491562918 /nfs/dbraw/zinc/56/29/18/491562918.db2.gz CEQAEKYIUWUOHO-UHFFFAOYSA-N 2 1 355.402 0.786 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288176 491566852 /nfs/dbraw/zinc/56/68/52/491566852.db2.gz WDONRKPTRPVHHZ-VDHUWJSZSA-N 2 1 371.485 0.603 20 0 FCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000568286770 491566964 /nfs/dbraw/zinc/56/69/64/491566964.db2.gz FYHOQOVVSMTWJK-UHFFFAOYSA-N 2 1 371.445 0.267 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000576003960 491575017 /nfs/dbraw/zinc/57/50/17/491575017.db2.gz JESYUGXZQQHIKT-LJQANCHMSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561148422 491578562 /nfs/dbraw/zinc/57/85/62/491578562.db2.gz YTJBQJJMAKPMPQ-RBUKOAKNSA-N 2 1 357.502 0.950 20 0 FCADMP CC(C)Nc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)nc(NCCO)[nH+]1 ZINC000561158930 491579167 /nfs/dbraw/zinc/57/91/67/491579167.db2.gz JYYHTXAVRCAVCG-UHFFFAOYSA-N 2 1 351.499 0.251 20 0 FCADMP CC(C)Nc1nc(N2CCC[N@H+](C(C)(C)C)CC2)nc(NCCO)[nH+]1 ZINC000561158930 491579169 /nfs/dbraw/zinc/57/91/69/491579169.db2.gz JYYHTXAVRCAVCG-UHFFFAOYSA-N 2 1 351.499 0.251 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000561173488 491580328 /nfs/dbraw/zinc/58/03/28/491580328.db2.gz ZPMOOLAHFZSPBF-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000561173488 491580330 /nfs/dbraw/zinc/58/03/30/491580330.db2.gz ZPMOOLAHFZSPBF-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@@H+](C)C1CC1 ZINC000561183672 491581051 /nfs/dbraw/zinc/58/10/51/491581051.db2.gz NQVASYDTWXUESR-HNNXBMFYSA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1ccnn1C ZINC000576176203 491589878 /nfs/dbraw/zinc/58/98/78/491589878.db2.gz CXHYESFOAQMDGK-MRXNPFEDSA-N 2 1 351.495 0.811 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577105593 491590557 /nfs/dbraw/zinc/59/05/57/491590557.db2.gz IPHNYBJCYVLZBN-DLBZAZTESA-N 2 1 364.490 0.053 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577105593 491590561 /nfs/dbraw/zinc/59/05/61/491590561.db2.gz IPHNYBJCYVLZBN-DLBZAZTESA-N 2 1 364.490 0.053 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000660470022 493353464 /nfs/dbraw/zinc/35/34/64/493353464.db2.gz JBLYEXIXCNRQBB-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000660470022 493353467 /nfs/dbraw/zinc/35/34/67/493353467.db2.gz JBLYEXIXCNRQBB-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000660470022 493353470 /nfs/dbraw/zinc/35/34/70/493353470.db2.gz JBLYEXIXCNRQBB-GBESFXJTSA-N 2 1 370.497 0.882 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000577171767 491597964 /nfs/dbraw/zinc/59/79/64/491597964.db2.gz GJRYXCHQNMXIDS-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000576278276 491600240 /nfs/dbraw/zinc/60/02/40/491600240.db2.gz WOYJHDROICEBOQ-OAHLLOKOSA-N 2 1 355.446 0.817 20 0 FCADMP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000576278276 491600242 /nfs/dbraw/zinc/60/02/42/491600242.db2.gz WOYJHDROICEBOQ-OAHLLOKOSA-N 2 1 355.446 0.817 20 0 FCADMP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000576278275 491600327 /nfs/dbraw/zinc/60/03/27/491600327.db2.gz WOYJHDROICEBOQ-HNNXBMFYSA-N 2 1 355.446 0.817 20 0 FCADMP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000576278275 491600330 /nfs/dbraw/zinc/60/03/30/491600330.db2.gz WOYJHDROICEBOQ-HNNXBMFYSA-N 2 1 355.446 0.817 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000584554935 491603944 /nfs/dbraw/zinc/60/39/44/491603944.db2.gz GXSAXNUVPUQRGO-ZJIFWQFVSA-N 2 1 366.506 0.343 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000568729021 491604295 /nfs/dbraw/zinc/60/42/95/491604295.db2.gz RRQHCRNWGQAVQL-RDJZCZTQSA-N 2 1 374.485 0.721 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000568729021 491604296 /nfs/dbraw/zinc/60/42/96/491604296.db2.gz RRQHCRNWGQAVQL-RDJZCZTQSA-N 2 1 374.485 0.721 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561426764 491608065 /nfs/dbraw/zinc/60/80/65/491608065.db2.gz ZJTMKHRDBBMHPX-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1 ZINC000568841793 491612745 /nfs/dbraw/zinc/61/27/45/491612745.db2.gz SGDRWUZIDRMAQD-XLAORIBOSA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1 ZINC000568841793 491612748 /nfs/dbraw/zinc/61/27/48/491612748.db2.gz SGDRWUZIDRMAQD-XLAORIBOSA-N 2 1 353.507 0.552 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000561589159 491619700 /nfs/dbraw/zinc/61/97/00/491619700.db2.gz NDJZQQVUFGRVEQ-UHFFFAOYSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000576538048 491623371 /nfs/dbraw/zinc/62/33/71/491623371.db2.gz ZITBXRBMZJLTSP-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000568985142 491624470 /nfs/dbraw/zinc/62/44/70/491624470.db2.gz AUBYZFADSAAIQM-OAHLLOKOSA-N 2 1 368.503 0.054 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C1 ZINC000569008760 491627210 /nfs/dbraw/zinc/62/72/10/491627210.db2.gz YOGFCQKEWQSGLA-MSOLQXFVSA-N 2 1 352.523 0.772 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C ZINC000561743239 491628538 /nfs/dbraw/zinc/62/85/38/491628538.db2.gz MEJNXULIYKEMGI-DLBZAZTESA-N 2 1 368.522 0.327 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000561897244 491638632 /nfs/dbraw/zinc/63/86/32/491638632.db2.gz TVUNDNGAXNPYRN-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724955 491645937 /nfs/dbraw/zinc/64/59/37/491645937.db2.gz RHLMNFYTEVPABN-DLBZAZTESA-N 2 1 365.522 0.572 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000569316482 491650937 /nfs/dbraw/zinc/65/09/37/491650937.db2.gz MFUDNCHFDPNTJY-MRXNPFEDSA-N 2 1 361.490 0.989 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000569316482 491650939 /nfs/dbraw/zinc/65/09/39/491650939.db2.gz MFUDNCHFDPNTJY-MRXNPFEDSA-N 2 1 361.490 0.989 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000569364303 491656329 /nfs/dbraw/zinc/65/63/29/491656329.db2.gz JOTTVLMRWXGMMJ-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000569364303 491656332 /nfs/dbraw/zinc/65/63/32/491656332.db2.gz JOTTVLMRWXGMMJ-HNNXBMFYSA-N 2 1 368.522 0.138 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000577850782 491656998 /nfs/dbraw/zinc/65/69/98/491656998.db2.gz LKWCHOMNCOMXPQ-JYJNAYRXSA-N 2 1 374.485 0.963 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000577850782 491657000 /nfs/dbraw/zinc/65/70/00/491657000.db2.gz LKWCHOMNCOMXPQ-JYJNAYRXSA-N 2 1 374.485 0.963 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943494 491658716 /nfs/dbraw/zinc/65/87/16/491658716.db2.gz KSGWFQLWKGSVGA-PKOBYXMFSA-N 2 1 358.486 0.911 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440174 491661768 /nfs/dbraw/zinc/66/17/68/491661768.db2.gz QOWVYRUJQGHTIJ-HLLBOEOZSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C1CC1 ZINC000578152461 491671000 /nfs/dbraw/zinc/67/10/00/491671000.db2.gz WOPZRNCEWUERGN-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000578152461 491671001 /nfs/dbraw/zinc/67/10/01/491671001.db2.gz WOPZRNCEWUERGN-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000578152461 491671002 /nfs/dbraw/zinc/67/10/02/491671002.db2.gz WOPZRNCEWUERGN-LSDHHAIUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000578251756 491673303 /nfs/dbraw/zinc/67/33/03/491673303.db2.gz ODUYYNJZTRMZRL-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251756 491673304 /nfs/dbraw/zinc/67/33/04/491673304.db2.gz ODUYYNJZTRMZRL-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251756 491673305 /nfs/dbraw/zinc/67/33/05/491673305.db2.gz ODUYYNJZTRMZRL-JKSUJKDBSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000578253678 491673478 /nfs/dbraw/zinc/67/34/78/491673478.db2.gz MJHDOOPCBLZNMX-DLBZAZTESA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000578253678 491673479 /nfs/dbraw/zinc/67/34/79/491673479.db2.gz MJHDOOPCBLZNMX-DLBZAZTESA-N 2 1 368.522 0.261 20 0 FCADMP COCC1(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000578306538 491674294 /nfs/dbraw/zinc/67/42/94/491674294.db2.gz PXGYJYAHVSJLQA-DLBZAZTESA-N 2 1 368.522 0.945 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000578326254 491674776 /nfs/dbraw/zinc/67/47/76/491674776.db2.gz MTNMCAHAHFTKHT-UHFFFAOYSA-N 2 1 362.522 0.496 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000578337223 491675233 /nfs/dbraw/zinc/67/52/33/491675233.db2.gz YSYOYIYYYLMEPT-JONQDZQNSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578354034 491675522 /nfs/dbraw/zinc/67/55/22/491675522.db2.gz HGVAMTGKWKQUGH-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578354034 491675523 /nfs/dbraw/zinc/67/55/23/491675523.db2.gz HGVAMTGKWKQUGH-RYQLBKOJSA-N 2 1 374.485 0.260 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000578549993 491679716 /nfs/dbraw/zinc/67/97/16/491679716.db2.gz KILHQLQUDRRAAN-MRXNPFEDSA-N 2 1 368.522 0.545 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000578656458 491681867 /nfs/dbraw/zinc/68/18/67/491681867.db2.gz XEXQPGAQVBNDPA-PMACEKPBSA-N 2 1 374.529 0.547 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000578656458 491681868 /nfs/dbraw/zinc/68/18/68/491681868.db2.gz XEXQPGAQVBNDPA-PMACEKPBSA-N 2 1 374.529 0.547 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C[C@H]1[NH3+] ZINC000578738654 491683271 /nfs/dbraw/zinc/68/32/71/491683271.db2.gz JTFDGMJRVSZZOQ-HGHGUNKESA-N 2 1 370.497 0.917 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000578774541 491684079 /nfs/dbraw/zinc/68/40/79/491684079.db2.gz DMUSZHKKVQSMFS-MRXNPFEDSA-N 2 1 368.547 0.484 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000579148666 491692085 /nfs/dbraw/zinc/69/20/85/491692085.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 1 372.513 0.960 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000579148666 491692086 /nfs/dbraw/zinc/69/20/86/491692086.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 1 372.513 0.960 20 0 FCADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000579408010 491697429 /nfs/dbraw/zinc/69/74/29/491697429.db2.gz SSWWNHXBOHRPCK-CTNGQTDRSA-N 2 1 373.497 0.757 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000579456238 491698149 /nfs/dbraw/zinc/69/81/49/491698149.db2.gz HGVLIZSEQOBKRY-GJZGRUSLSA-N 2 1 364.494 0.461 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000579465581 491698292 /nfs/dbraw/zinc/69/82/92/491698292.db2.gz OXIQAXJJGVPTOH-MRXNPFEDSA-N 2 1 366.506 0.252 20 0 FCADMP [NH3+][C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1 ZINC000579572027 491700781 /nfs/dbraw/zinc/70/07/81/491700781.db2.gz UREDQLKPQRMFPH-QGZVFWFLSA-N 2 1 362.474 0.867 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579690619 491702957 /nfs/dbraw/zinc/70/29/57/491702957.db2.gz VAJGUWAACFYKSM-CABCVRRESA-N 2 1 351.495 0.370 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000584579603 491708498 /nfs/dbraw/zinc/70/84/98/491708498.db2.gz QXDLNGYSKYBDKJ-GOSISDBHSA-N 2 1 373.501 0.968 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)NCCF)CC2)CC1 ZINC000579972012 491712000 /nfs/dbraw/zinc/71/20/00/491712000.db2.gz LDCPJJFXPVQIQF-CQSZACIVSA-N 2 1 356.486 0.773 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580053988 491714943 /nfs/dbraw/zinc/71/49/43/491714943.db2.gz SUDNXAPAMMZIMF-NUJGCVRESA-N 2 1 362.518 0.968 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1=O ZINC000580316063 491725817 /nfs/dbraw/zinc/72/58/17/491725817.db2.gz ULTBTIJVGAOUCR-QBPKDAKJSA-N 2 1 366.506 0.284 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580531647 491734654 /nfs/dbraw/zinc/73/46/54/491734654.db2.gz CSJGGOIOZWQNRD-LJQANCHMSA-N 2 1 357.502 0.734 20 0 FCADMP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000580533514 491734946 /nfs/dbraw/zinc/73/49/46/491734946.db2.gz VDODROFUVLPJDN-IAGOWNOFSA-N 2 1 365.522 0.001 20 0 FCADMP C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000580631977 491739243 /nfs/dbraw/zinc/73/92/43/491739243.db2.gz HSGMDPBVZYBYFS-TZMCWYRMSA-N 2 1 363.428 0.772 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000580760155 491744593 /nfs/dbraw/zinc/74/45/93/491744593.db2.gz FEJNYQOSYKOZJU-SFHVURJKSA-N 2 1 360.502 0.782 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000580760155 491744595 /nfs/dbraw/zinc/74/45/95/491744595.db2.gz FEJNYQOSYKOZJU-SFHVURJKSA-N 2 1 360.502 0.782 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000581149032 491761531 /nfs/dbraw/zinc/76/15/31/491761531.db2.gz RIJLRSXNCXJIAS-VQHPVUNQSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000581205577 491764297 /nfs/dbraw/zinc/76/42/97/491764297.db2.gz CBLCBIVRPJGYFY-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CCCO1 ZINC000581450051 491773605 /nfs/dbraw/zinc/77/36/05/491773605.db2.gz QWURERRGDAASAU-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCCO1 ZINC000581450051 491773607 /nfs/dbraw/zinc/77/36/07/491773607.db2.gz QWURERRGDAASAU-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCCO1 ZINC000581450051 491773608 /nfs/dbraw/zinc/77/36/08/491773608.db2.gz QWURERRGDAASAU-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000581889443 491789055 /nfs/dbraw/zinc/78/90/55/491789055.db2.gz VZAWGHNBUJFRJF-UHFFFAOYSA-N 2 1 369.554 0.364 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000590954132 491789917 /nfs/dbraw/zinc/78/99/17/491789917.db2.gz UZPMXFXPFKIZDJ-GOSISDBHSA-N 2 1 369.554 0.670 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583937 493364128 /nfs/dbraw/zinc/36/41/28/493364128.db2.gz GPORDYSGOUOMMZ-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583937 493364132 /nfs/dbraw/zinc/36/41/32/493364132.db2.gz GPORDYSGOUOMMZ-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000660583937 493364133 /nfs/dbraw/zinc/36/41/33/493364133.db2.gz GPORDYSGOUOMMZ-LSDHHAIUSA-N 2 1 353.511 0.746 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4OCC[NH2+][C@@H]4C3)CC2)c1 ZINC000582246152 491804023 /nfs/dbraw/zinc/80/40/23/491804023.db2.gz NUNIPUZMPAGUJS-WOJBJXKFSA-N 2 1 372.513 0.702 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668499217 493364687 /nfs/dbraw/zinc/36/46/87/493364687.db2.gz CJDWANCNRYWLSZ-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000582312683 491807109 /nfs/dbraw/zinc/80/71/09/491807109.db2.gz GZLUQTTWXWBJNP-KRWDZBQOSA-N 2 1 358.486 0.759 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000591570724 491809145 /nfs/dbraw/zinc/80/91/45/491809145.db2.gz GLXQMNFECGOKFK-MRXNPFEDSA-N 2 1 354.539 0.923 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000582834603 491828712 /nfs/dbraw/zinc/82/87/12/491828712.db2.gz SVHKGOKEVSBUHB-IBGZPJMESA-N 2 1 357.502 0.734 20 0 FCADMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000583131958 491838745 /nfs/dbraw/zinc/83/87/45/491838745.db2.gz PMGMQGUZIHETMF-AWEZNQCLSA-N 2 1 358.442 0.412 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000583257352 491841057 /nfs/dbraw/zinc/84/10/57/491841057.db2.gz BRAOBKQPNPGQGF-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000583282542 491841548 /nfs/dbraw/zinc/84/15/48/491841548.db2.gz HAQGVFIUIVNPQH-KRWDZBQOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000583312704 491842247 /nfs/dbraw/zinc/84/22/47/491842247.db2.gz JAEMYCKLIFQAGD-NBOOPKSLSA-N 2 1 362.518 0.966 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)N(C[C@@H](O)C[N@H+](C)CC)CC1(C)C ZINC000583761302 491851419 /nfs/dbraw/zinc/85/14/19/491851419.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@H](O)C[N@H+](C)CC)C[C@H]1C ZINC000583761302 491851420 /nfs/dbraw/zinc/85/14/20/491851420.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000583761302 491851421 /nfs/dbraw/zinc/85/14/21/491851421.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 2 1 358.571 0.396 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000583810661 491852554 /nfs/dbraw/zinc/85/25/54/491852554.db2.gz ANWXAHCIJDQSKZ-MRXNPFEDSA-N 2 1 357.462 0.940 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000583897951 491854374 /nfs/dbraw/zinc/85/43/74/491854374.db2.gz TUOPTAJAVCRRRS-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929742 491854808 /nfs/dbraw/zinc/85/48/08/491854808.db2.gz AVHXONZQQARZJH-RHSMWYFYSA-N 2 1 367.515 0.907 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000583929742 491854809 /nfs/dbraw/zinc/85/48/09/491854809.db2.gz AVHXONZQQARZJH-RHSMWYFYSA-N 2 1 367.515 0.907 20 0 FCADMP CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)O1 ZINC000584013256 491856707 /nfs/dbraw/zinc/85/67/07/491856707.db2.gz DKQPYKDRZUPDBE-JKSUJKDBSA-N 2 1 361.446 0.408 20 0 FCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000584173051 491860043 /nfs/dbraw/zinc/86/00/43/491860043.db2.gz QXZPSDIOKLVNRC-HUUCEWRRSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1[NH3+] ZINC000584226606 491861038 /nfs/dbraw/zinc/86/10/38/491861038.db2.gz CHUWXHHXDCDIIL-LAVFITLUSA-N 2 1 356.470 0.525 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000611638917 491864522 /nfs/dbraw/zinc/86/45/22/491864522.db2.gz YFIPZKHAVFJDQL-YOEHRIQHSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649020 491865330 /nfs/dbraw/zinc/86/53/30/491865330.db2.gz LYACCWURWLTPRT-KSSFIOAISA-N 2 1 362.518 0.824 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542144 491930734 /nfs/dbraw/zinc/93/07/34/491930734.db2.gz GYZHYUIONZTHCH-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000612548708 491933492 /nfs/dbraw/zinc/93/34/92/491933492.db2.gz QIEYXWDOWRRFOT-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551762 491934165 /nfs/dbraw/zinc/93/41/65/491934165.db2.gz JPAMBEPCBSCEQO-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551762 491934168 /nfs/dbraw/zinc/93/41/68/491934168.db2.gz JPAMBEPCBSCEQO-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612551762 491934171 /nfs/dbraw/zinc/93/41/71/491934171.db2.gz JPAMBEPCBSCEQO-XHSDSOJGSA-N 2 1 354.495 0.202 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000612591251 491935608 /nfs/dbraw/zinc/93/56/08/491935608.db2.gz INCMNVNNYUNNBY-IRXDYDNUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000612597677 491937286 /nfs/dbraw/zinc/93/72/86/491937286.db2.gz JZNPUAMRYAJCLP-YQQAZPJKSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000612597677 491937288 /nfs/dbraw/zinc/93/72/88/491937288.db2.gz JZNPUAMRYAJCLP-YQQAZPJKSA-N 2 1 366.506 0.297 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612772816 491949861 /nfs/dbraw/zinc/94/98/61/491949861.db2.gz JSOHFRXAPUKZIJ-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612778108 491950138 /nfs/dbraw/zinc/95/01/38/491950138.db2.gz WFBGSSGZMLJJCV-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)NC(=O)NCC(F)(F)F ZINC000595864918 491957367 /nfs/dbraw/zinc/95/73/67/491957367.db2.gz XDKDWQKRYQXXQS-LBPRGKRZSA-N 2 1 366.384 0.296 20 0 FCADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)NC(=O)NCC(F)(F)F ZINC000595864918 491957369 /nfs/dbraw/zinc/95/73/69/491957369.db2.gz XDKDWQKRYQXXQS-LBPRGKRZSA-N 2 1 366.384 0.296 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612968222 491960330 /nfs/dbraw/zinc/96/03/30/491960330.db2.gz WDFYMAINRTVLMU-OAHLLOKOSA-N 2 1 351.495 0.418 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000595957480 491965205 /nfs/dbraw/zinc/96/52/05/491965205.db2.gz USGGYMLSYAOMLB-FZMZJTMJSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000595957480 491965207 /nfs/dbraw/zinc/96/52/07/491965207.db2.gz USGGYMLSYAOMLB-FZMZJTMJSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1C ZINC000595957478 491965313 /nfs/dbraw/zinc/96/53/13/491965313.db2.gz USGGYMLSYAOMLB-BXUZGUMPSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1C ZINC000595957478 491965314 /nfs/dbraw/zinc/96/53/14/491965314.db2.gz USGGYMLSYAOMLB-BXUZGUMPSA-N 2 1 351.369 0.624 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506295 491990344 /nfs/dbraw/zinc/99/03/44/491990344.db2.gz NDSSUZXSMODVMA-PMACEKPBSA-N 2 1 373.545 0.684 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506298 491990403 /nfs/dbraw/zinc/99/04/03/491990403.db2.gz NDSSUZXSMODVMA-WOJBJXKFSA-N 2 1 373.545 0.684 20 0 FCADMP CCOC(=O)[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)=O ZINC000596899603 492004188 /nfs/dbraw/zinc/00/41/88/492004188.db2.gz NNMLOLMEPANCBF-CQSZACIVSA-N 2 1 362.430 0.930 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000597216212 492022741 /nfs/dbraw/zinc/02/27/41/492022741.db2.gz YCKWBKYTNGSWCA-IAGOWNOFSA-N 2 1 365.522 0.855 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)C1 ZINC000604353031 492057750 /nfs/dbraw/zinc/05/77/50/492057750.db2.gz AUUXGOQJEYSSDB-GOSISDBHSA-N 2 1 352.523 0.727 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)C1 ZINC000604353031 492057752 /nfs/dbraw/zinc/05/77/52/492057752.db2.gz AUUXGOQJEYSSDB-GOSISDBHSA-N 2 1 352.523 0.727 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000604639973 492065061 /nfs/dbraw/zinc/06/50/61/492065061.db2.gz DBZKWEVYJOQOSE-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604639973 492065063 /nfs/dbraw/zinc/06/50/63/492065063.db2.gz DBZKWEVYJOQOSE-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604639973 492065064 /nfs/dbraw/zinc/06/50/64/492065064.db2.gz DBZKWEVYJOQOSE-SQNIBIBYSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000604639971 492065319 /nfs/dbraw/zinc/06/53/19/492065319.db2.gz DBZKWEVYJOQOSE-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604639971 492065320 /nfs/dbraw/zinc/06/53/20/492065320.db2.gz DBZKWEVYJOQOSE-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604639971 492065322 /nfs/dbraw/zinc/06/53/22/492065322.db2.gz DBZKWEVYJOQOSE-KURKYZTESA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000604641315 492065791 /nfs/dbraw/zinc/06/57/91/492065791.db2.gz OVNAHFYYLXAHCC-FGTMMUONSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604641315 492065793 /nfs/dbraw/zinc/06/57/93/492065793.db2.gz OVNAHFYYLXAHCC-FGTMMUONSA-N 2 1 365.522 0.319 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604641315 492065795 /nfs/dbraw/zinc/06/57/95/492065795.db2.gz OVNAHFYYLXAHCC-FGTMMUONSA-N 2 1 365.522 0.319 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604652237 492066544 /nfs/dbraw/zinc/06/65/44/492066544.db2.gz VAHDUIHZVASFSD-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000604652237 492066546 /nfs/dbraw/zinc/06/65/46/492066546.db2.gz VAHDUIHZVASFSD-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604652237 492066548 /nfs/dbraw/zinc/06/65/48/492066548.db2.gz VAHDUIHZVASFSD-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)CSCC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000598344090 492095531 /nfs/dbraw/zinc/09/55/31/492095531.db2.gz ZTFVCIWLHVPTKP-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000598344090 492095532 /nfs/dbraw/zinc/09/55/32/492095532.db2.gz ZTFVCIWLHVPTKP-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000598344090 492095533 /nfs/dbraw/zinc/09/55/33/492095533.db2.gz ZTFVCIWLHVPTKP-IYBDPMFKSA-N 2 1 370.563 0.921 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCCCN2CC[NH+](C)CC2)CCOCC1 ZINC000605846120 492104344 /nfs/dbraw/zinc/10/43/44/492104344.db2.gz JLUCHBYLWSWUKH-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000606633825 492125313 /nfs/dbraw/zinc/12/53/13/492125313.db2.gz WMWLPQNTXPGUQO-DLBZAZTESA-N 2 1 355.527 0.278 20 0 FCADMP C[C@H](CCNC(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)n[nH]1)[NH+](C)C ZINC000617761461 492190073 /nfs/dbraw/zinc/19/00/73/492190073.db2.gz UOUMMYPFTZNQSZ-BETUJISGSA-N 2 1 352.483 0.550 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618308245 492221960 /nfs/dbraw/zinc/22/19/60/492221960.db2.gz CLOUPBFLXPAGEA-GOSISDBHSA-N 2 1 360.502 0.987 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225232 492282173 /nfs/dbraw/zinc/28/21/73/492282173.db2.gz SCVPHLNPFTYLEW-RTBURBONSA-N 2 1 364.534 0.724 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225232 492282174 /nfs/dbraw/zinc/28/21/74/492282174.db2.gz SCVPHLNPFTYLEW-RTBURBONSA-N 2 1 364.534 0.724 20 0 FCADMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304608 492284912 /nfs/dbraw/zinc/28/49/12/492284912.db2.gz JFNUUQWHHMMMHS-HUUCEWRRSA-N 2 1 367.490 0.977 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654436798 492303229 /nfs/dbraw/zinc/30/32/29/492303229.db2.gz GHTCZAQPLNMOSN-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654436798 492303231 /nfs/dbraw/zinc/30/32/31/492303231.db2.gz GHTCZAQPLNMOSN-SJORKVTESA-N 2 1 365.522 0.855 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000641820539 492309209 /nfs/dbraw/zinc/30/92/09/492309209.db2.gz HCPQFVWMLQFWAN-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825678 492311322 /nfs/dbraw/zinc/31/13/22/492311322.db2.gz VYXXIKUMCGCRFC-HZPDHXFCSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825678 492311326 /nfs/dbraw/zinc/31/13/26/492311326.db2.gz VYXXIKUMCGCRFC-HZPDHXFCSA-N 2 1 366.506 0.284 20 0 FCADMP O=C(N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000620485716 492313517 /nfs/dbraw/zinc/31/35/17/492313517.db2.gz WSKHXFMSLKWQME-CTNGQTDRSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000620485716 492313525 /nfs/dbraw/zinc/31/35/25/492313525.db2.gz WSKHXFMSLKWQME-CTNGQTDRSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000620485716 492313528 /nfs/dbraw/zinc/31/35/28/492313528.db2.gz WSKHXFMSLKWQME-CTNGQTDRSA-N 2 1 373.497 0.681 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000620535927 492317526 /nfs/dbraw/zinc/31/75/26/492317526.db2.gz VKHMUBOXYPXYTI-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)[N@@H+]1C ZINC000641841654 492318106 /nfs/dbraw/zinc/31/81/06/492318106.db2.gz TYVMULOOYVJFGF-FGTMMUONSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000641841654 492318107 /nfs/dbraw/zinc/31/81/07/492318107.db2.gz TYVMULOOYVJFGF-FGTMMUONSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)[NH+]1C ZINC000641841654 492318108 /nfs/dbraw/zinc/31/81/08/492318108.db2.gz TYVMULOOYVJFGF-FGTMMUONSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000647597331 492332299 /nfs/dbraw/zinc/33/22/99/492332299.db2.gz DPNPAANIDGELII-HZPDHXFCSA-N 2 1 367.538 0.245 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000620772971 492334034 /nfs/dbraw/zinc/33/40/34/492334034.db2.gz PZTUVIJFPBZTKH-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000620772969 492334436 /nfs/dbraw/zinc/33/44/36/492334436.db2.gz PZTUVIJFPBZTKH-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H]1c1ccccc1 ZINC000642195273 492340130 /nfs/dbraw/zinc/34/01/30/492340130.db2.gz YAWVUXMUXHJJJG-LEUOFYLZSA-N 2 1 356.470 0.758 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254046 492345174 /nfs/dbraw/zinc/34/51/74/492345174.db2.gz ZZWGOIXOAXTKAN-SJLPKXTDSA-N 2 1 358.486 0.868 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253856 492345783 /nfs/dbraw/zinc/34/57/83/492345783.db2.gz LQKZWOFCFOLUNC-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253617 492346029 /nfs/dbraw/zinc/34/60/29/492346029.db2.gz BGSRWJPLWDIZTC-OAHLLOKOSA-N 2 1 368.428 0.725 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253617 492346032 /nfs/dbraw/zinc/34/60/32/492346032.db2.gz BGSRWJPLWDIZTC-OAHLLOKOSA-N 2 1 368.428 0.725 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642253888 492346082 /nfs/dbraw/zinc/34/60/82/492346082.db2.gz OXIHOEKIGVPHMD-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642330428 492351668 /nfs/dbraw/zinc/35/16/68/492351668.db2.gz HVRWYVPNQBLDIO-KXBFYZLASA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330394 492352261 /nfs/dbraw/zinc/35/22/61/492352261.db2.gz DDYPIASYIDIATP-XUWVNRHRSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642330578 492352323 /nfs/dbraw/zinc/35/23/23/492352323.db2.gz XMEWSCHSTRGIKX-DMRKSPOLSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642330577 492352360 /nfs/dbraw/zinc/35/23/60/492352360.db2.gz XMEWSCHSTRGIKX-BQJWPVKWSA-N 2 1 350.507 0.679 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345405 492353588 /nfs/dbraw/zinc/35/35/88/492353588.db2.gz LMMQXECJASFYLD-OAHLLOKOSA-N 2 1 365.522 0.049 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345405 492353591 /nfs/dbraw/zinc/35/35/91/492353591.db2.gz LMMQXECJASFYLD-OAHLLOKOSA-N 2 1 365.522 0.049 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000642346543 492354095 /nfs/dbraw/zinc/35/40/95/492354095.db2.gz RBVZRGOTEWAEKY-ULQDDVLXSA-N 2 1 368.522 0.498 20 0 FCADMP Cn1nc2c(cc1=O)CN(C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634644839 492357367 /nfs/dbraw/zinc/35/73/67/492357367.db2.gz BTSCOFQWPRTHBH-HXUWFJFHSA-N 2 1 354.454 0.775 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000642550369 492363528 /nfs/dbraw/zinc/36/35/28/492363528.db2.gz FNWHTOIJUIWRRB-RYQLBKOJSA-N 2 1 374.485 0.342 20 0 FCADMP COc1ccc(CNC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835051 492368852 /nfs/dbraw/zinc/36/88/52/492368852.db2.gz KKRMDOKMHFIFBI-HNNXBMFYSA-N 2 1 364.490 0.546 20 0 FCADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835051 492368855 /nfs/dbraw/zinc/36/88/55/492368855.db2.gz KKRMDOKMHFIFBI-HNNXBMFYSA-N 2 1 364.490 0.546 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640945 492369106 /nfs/dbraw/zinc/36/91/06/492369106.db2.gz PTJDFMFARRXVRT-BPQIPLTHSA-N 2 1 356.470 0.491 20 0 FCADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835750 492369619 /nfs/dbraw/zinc/36/96/19/492369619.db2.gz MNUUWBGUUFBUCE-UHFFFAOYSA-N 2 1 362.518 0.970 20 0 FCADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835750 492369623 /nfs/dbraw/zinc/36/96/23/492369623.db2.gz MNUUWBGUUFBUCE-UHFFFAOYSA-N 2 1 362.518 0.970 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCCOc1ccccc1F ZINC000647835722 492369859 /nfs/dbraw/zinc/36/98/59/492369859.db2.gz KSBMIQHLEJLUOZ-UHFFFAOYSA-N 2 1 352.454 0.548 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCCOc1ccccc1F ZINC000647835722 492369861 /nfs/dbraw/zinc/36/98/61/492369861.db2.gz KSBMIQHLEJLUOZ-UHFFFAOYSA-N 2 1 352.454 0.548 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)CCC(F)(F)F ZINC000642680471 492372402 /nfs/dbraw/zinc/37/24/02/492372402.db2.gz IELTZISEHANODA-LBPRGKRZSA-N 2 1 352.401 0.635 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)CCC(F)(F)F ZINC000642680471 492372405 /nfs/dbraw/zinc/37/24/05/492372405.db2.gz IELTZISEHANODA-LBPRGKRZSA-N 2 1 352.401 0.635 20 0 FCADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654908331 492377633 /nfs/dbraw/zinc/37/76/33/492377633.db2.gz ZVXUTHPVKAOJHR-LZLYRXPVSA-N 2 1 372.469 0.451 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642723181 492379571 /nfs/dbraw/zinc/37/95/71/492379571.db2.gz VOWDANWUDVRXBD-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642723181 492379576 /nfs/dbraw/zinc/37/95/76/492379576.db2.gz VOWDANWUDVRXBD-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642723176 492379814 /nfs/dbraw/zinc/37/98/14/492379814.db2.gz VAOXCGIVINOPKA-AEFFLSMTSA-N 2 1 356.470 0.371 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642723176 492379822 /nfs/dbraw/zinc/37/98/22/492379822.db2.gz VAOXCGIVINOPKA-AEFFLSMTSA-N 2 1 356.470 0.371 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000642728577 492381120 /nfs/dbraw/zinc/38/11/20/492381120.db2.gz IOACIUDQKIFTOG-GOEBONIOSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728577 492381125 /nfs/dbraw/zinc/38/11/25/492381125.db2.gz IOACIUDQKIFTOG-GOEBONIOSA-N 2 1 354.495 0.250 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC[NH2+]1 ZINC000642731744 492381802 /nfs/dbraw/zinc/38/18/02/492381802.db2.gz ZSAXCDUXWJPXMR-CABCVRRESA-N 2 1 352.504 0.923 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729084 492382070 /nfs/dbraw/zinc/38/20/70/492382070.db2.gz DIUOYKZOJSIMRW-DOTOQJQBSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000642759500 492386855 /nfs/dbraw/zinc/38/68/55/492386855.db2.gz DGOLYHNYYWYVIO-ATLSCFEFSA-N 2 1 374.485 0.198 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C(=O)NC)C3)CC2)CC1 ZINC000654991705 492388821 /nfs/dbraw/zinc/38/88/21/492388821.db2.gz BBWUQDZVPWRFJA-QGZVFWFLSA-N 2 1 366.506 0.156 20 0 FCADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977329 492390079 /nfs/dbraw/zinc/39/00/79/492390079.db2.gz AAABHPVMUQXVSN-HUUCEWRRSA-N 2 1 355.508 0.410 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976280 492390347 /nfs/dbraw/zinc/39/03/47/492390347.db2.gz MJKJITQVJHLHTI-WCXIOVBPSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976280 492390353 /nfs/dbraw/zinc/39/03/53/492390353.db2.gz MJKJITQVJHLHTI-WCXIOVBPSA-N 2 1 371.547 0.732 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647978423 492390528 /nfs/dbraw/zinc/39/05/28/492390528.db2.gz ROOOSUHJWLVWQC-RCCFBDPRSA-N 2 1 350.507 0.825 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978168 492390802 /nfs/dbraw/zinc/39/08/02/492390802.db2.gz NQYCQOSLOQNJMU-CABCVRRESA-N 2 1 374.489 0.145 20 0 FCADMP O=S(=O)([C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000647988751 492391606 /nfs/dbraw/zinc/39/16/06/492391606.db2.gz HLJYPWUTSYLKJF-KRWDZBQOSA-N 2 1 359.536 0.893 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000642907280 492401612 /nfs/dbraw/zinc/40/16/12/492401612.db2.gz LZZJXBXFPADEQD-RRLIJXGGSA-N 2 1 366.506 0.473 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000642907280 492401615 /nfs/dbraw/zinc/40/16/15/492401615.db2.gz LZZJXBXFPADEQD-RRLIJXGGSA-N 2 1 366.506 0.473 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918832 492403545 /nfs/dbraw/zinc/40/35/45/492403545.db2.gz DQMOCRQXPLUUNG-HZPDHXFCSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918832 492403550 /nfs/dbraw/zinc/40/35/50/492403550.db2.gz DQMOCRQXPLUUNG-HZPDHXFCSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000642921475 492404600 /nfs/dbraw/zinc/40/46/00/492404600.db2.gz VMETVEWVCFQXRU-QZTJIDSGSA-N 2 1 373.501 0.041 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000648130137 492404686 /nfs/dbraw/zinc/40/46/86/492404686.db2.gz KLQRWIQVVIIXME-CJNGLKHVSA-N 2 1 356.430 0.608 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621779199 492411269 /nfs/dbraw/zinc/41/12/69/492411269.db2.gz BJCRBXXBDMZEJE-MLGOLLRUSA-N 2 1 352.460 0.476 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621779199 492411274 /nfs/dbraw/zinc/41/12/74/492411274.db2.gz BJCRBXXBDMZEJE-MLGOLLRUSA-N 2 1 352.460 0.476 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)CCC(F)(F)F ZINC000621841307 492422937 /nfs/dbraw/zinc/42/29/37/492422937.db2.gz UAJRZIKOEHFLPL-SWLSCSKDSA-N 2 1 364.412 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)CCC(F)(F)F ZINC000621841307 492422940 /nfs/dbraw/zinc/42/29/40/492422940.db2.gz UAJRZIKOEHFLPL-SWLSCSKDSA-N 2 1 364.412 0.717 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635278339 492426521 /nfs/dbraw/zinc/42/65/21/492426521.db2.gz KBZQDAJJPMSDKG-UHFFFAOYSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](O)C3)ccc21 ZINC000627982728 492434806 /nfs/dbraw/zinc/43/48/06/492434806.db2.gz XULKCJAGJLMQRN-NVXWUHKLSA-N 2 1 360.458 0.357 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028512 492443522 /nfs/dbraw/zinc/44/35/22/492443522.db2.gz RHKKFJUWRCPXHN-CLCXKQKWSA-N 2 1 364.490 0.038 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000635558441 492471883 /nfs/dbraw/zinc/47/18/83/492471883.db2.gz KPOIFJBQZIJESE-HUUCEWRRSA-N 2 1 361.490 0.592 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)Cc1[nH]ccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000635558441 492471886 /nfs/dbraw/zinc/47/18/86/492471886.db2.gz KPOIFJBQZIJESE-HUUCEWRRSA-N 2 1 361.490 0.592 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)Cc1[nH]ccc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000635558441 492471889 /nfs/dbraw/zinc/47/18/89/492471889.db2.gz KPOIFJBQZIJESE-HUUCEWRRSA-N 2 1 361.490 0.592 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635561613 492472120 /nfs/dbraw/zinc/47/21/20/492472120.db2.gz SQXCKTZYYTUGPR-QGZVFWFLSA-N 2 1 354.539 0.735 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635573127 492474827 /nfs/dbraw/zinc/47/48/27/492474827.db2.gz RLOIQJCMSNHATL-KRWDZBQOSA-N 2 1 350.507 0.385 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000643480839 492476828 /nfs/dbraw/zinc/47/68/28/492476828.db2.gz ZMBJCHJWAWOVDX-SFHVURJKSA-N 2 1 358.486 0.571 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643480982 492476846 /nfs/dbraw/zinc/47/68/46/492476846.db2.gz MGKHJPOUPIZAEB-MOPGFXCFSA-N 2 1 370.497 0.931 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643480988 492476883 /nfs/dbraw/zinc/47/68/83/492476883.db2.gz NRIZLCHZJNZRFK-HDICACEKSA-N 2 1 356.470 0.399 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643480995 492476931 /nfs/dbraw/zinc/47/69/31/492476931.db2.gz SSUMXBKHEROUOF-OALUTQOASA-N 2 1 370.497 0.789 20 0 FCADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OCC(N)=O ZINC000655702250 492477580 /nfs/dbraw/zinc/47/75/80/492477580.db2.gz QEYOXVUYLMKAAO-INIZCTEOSA-N 2 1 363.458 0.902 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643486715 492478967 /nfs/dbraw/zinc/47/89/67/492478967.db2.gz FDNMZOOEBLPIMH-DOTOQJQBSA-N 2 1 368.522 0.532 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000643492459 492480558 /nfs/dbraw/zinc/48/05/58/492480558.db2.gz WKIMMILZLRUNDU-HZPDHXFCSA-N 2 1 359.474 0.624 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000643492457 492480814 /nfs/dbraw/zinc/48/08/14/492480814.db2.gz WKIMMILZLRUNDU-CVEARBPZSA-N 2 1 359.474 0.624 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643494347 492481757 /nfs/dbraw/zinc/48/17/57/492481757.db2.gz YPNXYPVFRJBXHI-IRXDYDNUSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000643498002 492482713 /nfs/dbraw/zinc/48/27/13/492482713.db2.gz DOPVBBICFXPNKO-MWDXBVQZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643499502 492483048 /nfs/dbraw/zinc/48/30/48/492483048.db2.gz NOJCGXKMAHFSSO-XDNAFOTISA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643523036 492489946 /nfs/dbraw/zinc/48/99/46/492489946.db2.gz VSMDOWCEKPFIBK-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643523036 492489950 /nfs/dbraw/zinc/48/99/50/492489950.db2.gz VSMDOWCEKPFIBK-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531825 492491095 /nfs/dbraw/zinc/49/10/95/492491095.db2.gz OQYXWPCJNYVKRG-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000643531752 492491330 /nfs/dbraw/zinc/49/13/30/492491330.db2.gz FSFIBHXYSZALNS-ZWKOTPCHSA-N 2 1 374.485 0.296 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643531852 492492406 /nfs/dbraw/zinc/49/24/06/492492406.db2.gz PRYRZVSUDGSPAK-WIYYLYMNSA-N 2 1 370.497 0.931 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000643539753 492493560 /nfs/dbraw/zinc/49/35/60/492493560.db2.gz BYWNOFAYADEUDD-IAGOWNOFSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643541559 492495435 /nfs/dbraw/zinc/49/54/35/492495435.db2.gz UYTXSEMJNNIXQG-QGFMHUBQSA-N 2 1 368.481 0.255 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)CC[C@@H]21 ZINC000643549854 492497707 /nfs/dbraw/zinc/49/77/07/492497707.db2.gz WRMWEFGEZVWMRT-KURKYZTESA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643558636 492498460 /nfs/dbraw/zinc/49/84/60/492498460.db2.gz PAJSCFWGFDIPGB-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000643593652 492502667 /nfs/dbraw/zinc/50/26/67/492502667.db2.gz CAQFCVWAUJNEEE-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000649271257 492516243 /nfs/dbraw/zinc/51/62/43/492516243.db2.gz CPAGJFOZFFAAOF-IBGZPJMESA-N 2 1 359.518 0.339 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])Cc2ccccc2)C1 ZINC000649280802 492519879 /nfs/dbraw/zinc/51/98/79/492519879.db2.gz MJUGQHLWJPGDHG-LJQANCHMSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649289951 492523534 /nfs/dbraw/zinc/52/35/34/492523534.db2.gz HNESKKMGWKIVAL-KRWDZBQOSA-N 2 1 370.457 0.575 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1=O ZINC000635934293 492531216 /nfs/dbraw/zinc/53/12/16/492531216.db2.gz OOKRIMDQUHXEBK-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1=O ZINC000635934293 492531218 /nfs/dbraw/zinc/53/12/18/492531218.db2.gz OOKRIMDQUHXEBK-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1=O ZINC000635934293 492531219 /nfs/dbraw/zinc/53/12/19/492531219.db2.gz OOKRIMDQUHXEBK-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)c2)C1 ZINC000649321231 492532139 /nfs/dbraw/zinc/53/21/39/492532139.db2.gz PEZKBWXOJCQEAO-ZWKOTPCHSA-N 2 1 374.485 0.236 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000649352537 492545315 /nfs/dbraw/zinc/54/53/15/492545315.db2.gz UQBPDFNBLMPVHU-GOSISDBHSA-N 2 1 373.501 0.977 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000649410867 492552182 /nfs/dbraw/zinc/55/21/82/492552182.db2.gz ZHRXOXLOWLCQBH-MJGOQNOKSA-N 2 1 360.502 0.687 20 0 FCADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000636155869 492557249 /nfs/dbraw/zinc/55/72/49/492557249.db2.gz CWVRIKNRSFCIFU-QZTJIDSGSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656150501 492557879 /nfs/dbraw/zinc/55/78/79/492557879.db2.gz VYATUOBEXIBVCH-OAGGEKHMSA-N 2 1 351.495 0.765 20 0 FCADMP CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656261190 492567686 /nfs/dbraw/zinc/56/76/86/492567686.db2.gz DZQGQTGRVPGBJM-USXIJHARSA-N 2 1 359.536 0.937 20 0 FCADMP COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)[NH+](C)C)c1 ZINC000636473405 492595063 /nfs/dbraw/zinc/59/50/63/492595063.db2.gz ZOSBGQBVUWYXFZ-WBVHZDCISA-N 2 1 350.463 0.664 20 0 FCADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNc3nc(N)[nH+]c(N)n3)cc2)C[C@H]1C ZINC000624085386 492618884 /nfs/dbraw/zinc/61/88/84/492618884.db2.gz QXYFCSSZFRYBBB-OKILXGFUSA-N 2 1 371.489 0.740 20 0 FCADMP C[C@H]1C[N@H+](CCOc2ccc(CCNc3nc(N)nc(N)[nH+]3)cc2)C[C@H]1C ZINC000624085386 492618889 /nfs/dbraw/zinc/61/88/89/492618889.db2.gz QXYFCSSZFRYBBB-OKILXGFUSA-N 2 1 371.489 0.740 20 0 FCADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNc3nc(N)nc(N)[nH+]3)cc2)C[C@H]1C ZINC000624085386 492618896 /nfs/dbraw/zinc/61/88/96/492618896.db2.gz QXYFCSSZFRYBBB-OKILXGFUSA-N 2 1 371.489 0.740 20 0 FCADMP C[C@@H]1C[NH+](CCOc2ccc(CCNc3nc(N)nc(N)[nH+]3)cc2)C[C@H]1C ZINC000624085387 492618923 /nfs/dbraw/zinc/61/89/23/492618923.db2.gz QXYFCSSZFRYBBB-ZIAGYGMSSA-N 2 1 371.489 0.740 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)n2C ZINC000644071179 492644436 /nfs/dbraw/zinc/64/44/36/492644436.db2.gz YGTPWAHRZBISPI-YUELXQCFSA-N 2 1 372.473 0.752 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)n2C ZINC000644071179 492644440 /nfs/dbraw/zinc/64/44/40/492644440.db2.gz YGTPWAHRZBISPI-YUELXQCFSA-N 2 1 372.473 0.752 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1cccc(F)c1 ZINC000650564990 492651408 /nfs/dbraw/zinc/65/14/08/492651408.db2.gz KVLPHPNCGSLRCG-IAGOWNOFSA-N 2 1 350.438 0.889 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1cccc(F)c1 ZINC000650564990 492651410 /nfs/dbraw/zinc/65/14/10/492651410.db2.gz KVLPHPNCGSLRCG-IAGOWNOFSA-N 2 1 350.438 0.889 20 0 FCADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629575636 492653144 /nfs/dbraw/zinc/65/31/44/492653144.db2.gz OXSLFFXUPCIWFP-OAHLLOKOSA-N 2 1 350.463 0.654 20 0 FCADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629575636 492653147 /nfs/dbraw/zinc/65/31/47/492653147.db2.gz OXSLFFXUPCIWFP-OAHLLOKOSA-N 2 1 350.463 0.654 20 0 FCADMP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2)C1 ZINC000629578718 492655835 /nfs/dbraw/zinc/65/58/35/492655835.db2.gz MEEFWDBTBPFOBX-INIZCTEOSA-N 2 1 368.522 0.391 20 0 FCADMP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2)C1 ZINC000629578718 492655839 /nfs/dbraw/zinc/65/58/39/492655839.db2.gz MEEFWDBTBPFOBX-INIZCTEOSA-N 2 1 368.522 0.391 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650788874 492667818 /nfs/dbraw/zinc/66/78/18/492667818.db2.gz CKTKLLRVALMHHB-QGZVFWFLSA-N 2 1 362.474 0.587 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650788874 492667821 /nfs/dbraw/zinc/66/78/21/492667821.db2.gz CKTKLLRVALMHHB-QGZVFWFLSA-N 2 1 362.474 0.587 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629788192 492672148 /nfs/dbraw/zinc/67/21/48/492672148.db2.gz NAANAKLJLNJLDL-QWHCGFSZSA-N 2 1 364.412 0.526 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000650879849 492680796 /nfs/dbraw/zinc/68/07/96/492680796.db2.gz ZFDWSLFQWWDWQG-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629809278 492683122 /nfs/dbraw/zinc/68/31/22/492683122.db2.gz PBQAURXEOAWDKP-FRRDWIJNSA-N 2 1 364.412 0.525 20 0 FCADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000629812836 492685430 /nfs/dbraw/zinc/68/54/30/492685430.db2.gz UFSNPVOMVLGVQK-QZTJIDSGSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000629812836 492685432 /nfs/dbraw/zinc/68/54/32/492685432.db2.gz UFSNPVOMVLGVQK-QZTJIDSGSA-N 2 1 358.486 0.915 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644295129 492695840 /nfs/dbraw/zinc/69/58/40/492695840.db2.gz SUMQYRLDYAXNGQ-KSZLIROESA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644295129 492695843 /nfs/dbraw/zinc/69/58/43/492695843.db2.gz SUMQYRLDYAXNGQ-KSZLIROESA-N 2 1 367.538 0.299 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644295129 492695844 /nfs/dbraw/zinc/69/58/44/492695844.db2.gz SUMQYRLDYAXNGQ-KSZLIROESA-N 2 1 367.538 0.299 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000636795564 492696200 /nfs/dbraw/zinc/69/62/00/492696200.db2.gz MMZJDVJBOARRHR-ZACQAIPSSA-N 2 1 356.511 0.489 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000636795561 492696315 /nfs/dbraw/zinc/69/63/15/492696315.db2.gz MMZJDVJBOARRHR-IXDOHACOSA-N 2 1 356.511 0.489 20 0 FCADMP Cc1nnc2n1C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)N(C)C2 ZINC000644323957 492708733 /nfs/dbraw/zinc/70/87/33/492708733.db2.gz NWFWIKXWMGRXAZ-MRXNPFEDSA-N 2 1 370.461 0.186 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000636939824 492733154 /nfs/dbraw/zinc/73/31/54/492733154.db2.gz GRYRZYGFQCFATK-ULQDDVLXSA-N 2 1 354.495 0.120 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625290813 492751611 /nfs/dbraw/zinc/75/16/11/492751611.db2.gz VRFFWOSTKKXAGZ-UHFFFAOYSA-N 2 1 357.480 0.019 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625366874 492763946 /nfs/dbraw/zinc/76/39/46/492763946.db2.gz RKGXUJHSPLYSEN-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000625366874 492763951 /nfs/dbraw/zinc/76/39/51/492763951.db2.gz RKGXUJHSPLYSEN-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637151765 492782285 /nfs/dbraw/zinc/78/22/85/492782285.db2.gz BHBWKAAZTUCNAM-MRXNPFEDSA-N 2 1 365.478 0.278 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644558414 492784568 /nfs/dbraw/zinc/78/45/68/492784568.db2.gz SKKOOKOZYLFMAD-LJQANCHMSA-N 2 1 362.518 0.622 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644558414 492784571 /nfs/dbraw/zinc/78/45/71/492784571.db2.gz SKKOOKOZYLFMAD-LJQANCHMSA-N 2 1 362.518 0.622 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651588350 492787911 /nfs/dbraw/zinc/78/79/11/492787911.db2.gz OLWYBTLTMCZBJZ-MSOLQXFVSA-N 2 1 353.507 0.648 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000637287806 492806863 /nfs/dbraw/zinc/80/68/63/492806863.db2.gz AULMACROTKLXGT-MSOLQXFVSA-N 2 1 373.501 0.900 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625516616 492806878 /nfs/dbraw/zinc/80/68/78/492806878.db2.gz CZVZMAARWHGVOW-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625516616 492806883 /nfs/dbraw/zinc/80/68/83/492806883.db2.gz CZVZMAARWHGVOW-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625516616 492806885 /nfs/dbraw/zinc/80/68/85/492806885.db2.gz CZVZMAARWHGVOW-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625516616 492806890 /nfs/dbraw/zinc/80/68/90/492806890.db2.gz CZVZMAARWHGVOW-SJORKVTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373478 492813172 /nfs/dbraw/zinc/81/31/72/492813172.db2.gz QCQWUEJKMVYKEZ-XHSDSOJGSA-N 2 1 351.495 0.594 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000637376174 492816552 /nfs/dbraw/zinc/81/65/52/492816552.db2.gz DRNVEAKZRUZZGG-KRWDZBQOSA-N 2 1 365.522 0.986 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000637376174 492816555 /nfs/dbraw/zinc/81/65/55/492816555.db2.gz DRNVEAKZRUZZGG-KRWDZBQOSA-N 2 1 365.522 0.986 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000637376174 492816557 /nfs/dbraw/zinc/81/65/57/492816557.db2.gz DRNVEAKZRUZZGG-KRWDZBQOSA-N 2 1 365.522 0.986 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNS(=O)(=O)CCC[NH+](C)C)cc2)CC1 ZINC000631752711 492847454 /nfs/dbraw/zinc/84/74/54/492847454.db2.gz SMZJFVMAFSVRLP-UHFFFAOYSA-N 2 1 368.547 0.805 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631851031 492863668 /nfs/dbraw/zinc/86/36/68/492863668.db2.gz MXXDFDHEEYRTKH-INIZCTEOSA-N 2 1 372.535 0.216 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631851031 492863670 /nfs/dbraw/zinc/86/36/70/492863670.db2.gz MXXDFDHEEYRTKH-INIZCTEOSA-N 2 1 372.535 0.216 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652127637 492883623 /nfs/dbraw/zinc/88/36/23/492883623.db2.gz ZVEAMFKLRYMDNS-UHFFFAOYSA-N 2 1 351.426 0.248 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1C ZINC000652165522 492889782 /nfs/dbraw/zinc/88/97/82/492889782.db2.gz SJXZTFBOILEGCD-LZWOXQAQSA-N 2 1 364.494 0.914 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638078155 492901634 /nfs/dbraw/zinc/90/16/34/492901634.db2.gz DTQFILXCSWQEHH-VQIMIIECSA-N 2 1 360.458 0.780 20 0 FCADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638094581 492904411 /nfs/dbraw/zinc/90/44/11/492904411.db2.gz KAODVUAYSDPTAO-PXNSSMCTSA-N 2 1 374.485 0.214 20 0 FCADMP COc1cccc([C@H]([NH3+])C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000638097990 492905004 /nfs/dbraw/zinc/90/50/04/492905004.db2.gz YRKFCTVVRFXKJH-IRXDYDNUSA-N 2 1 362.474 0.754 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315736 492909891 /nfs/dbraw/zinc/90/98/91/492909891.db2.gz CDYGDQLSHFPEEJ-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652347675 492913199 /nfs/dbraw/zinc/91/31/99/492913199.db2.gz JHGMVRDZTNKOSJ-DZJNRPSUSA-N 2 1 366.506 0.284 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346793 492913598 /nfs/dbraw/zinc/91/35/98/492913598.db2.gz IKRDLFRARFKOBB-JYJNAYRXSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)S(C)(=O)=O ZINC000652351904 492914591 /nfs/dbraw/zinc/91/45/91/492914591.db2.gz HHOIBKKJESLGGP-RDJZCZTQSA-N 2 1 374.551 0.224 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)S(C)(=O)=O ZINC000652351904 492914592 /nfs/dbraw/zinc/91/45/92/492914592.db2.gz HHOIBKKJESLGGP-RDJZCZTQSA-N 2 1 374.551 0.224 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638348397 492938148 /nfs/dbraw/zinc/93/81/48/492938148.db2.gz JRPIVOMNCPBUIQ-CVEARBPZSA-N 2 1 374.489 0.753 20 0 FCADMP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000632160821 492940735 /nfs/dbraw/zinc/94/07/35/492940735.db2.gz LEQLKBPHDPKQGX-MSOLQXFVSA-N 2 1 372.579 0.760 20 0 FCADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000638668722 492970806 /nfs/dbraw/zinc/97/08/06/492970806.db2.gz LUYIBBZKRKHORP-HNNXBMFYSA-N 2 1 353.488 0.925 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC000638808819 492980166 /nfs/dbraw/zinc/98/01/66/492980166.db2.gz OJTICCMYBVNTKM-XUWVNRHRSA-N 2 1 362.478 0.493 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645869689 492986083 /nfs/dbraw/zinc/98/60/83/492986083.db2.gz OUTRXUANFBSXKB-OAHLLOKOSA-N 2 1 361.490 0.730 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652678175 492986343 /nfs/dbraw/zinc/98/63/43/492986343.db2.gz WFOGRGPAQOWAPO-IXDOHACOSA-N 2 1 368.522 0.579 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000645925679 492988438 /nfs/dbraw/zinc/98/84/38/492988438.db2.gz JYEZJUVATXQPIY-SFHVURJKSA-N 2 1 373.501 0.833 20 0 FCADMP CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000645952743 492992335 /nfs/dbraw/zinc/99/23/35/492992335.db2.gz MPUFPKDIEYPMMD-SJORKVTESA-N 2 1 358.486 0.998 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)[C@@H](Cc2ccccc2)C1 ZINC000652695331 492992823 /nfs/dbraw/zinc/99/28/23/492992823.db2.gz ROCWZGNZHXHCPA-SFHVURJKSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)[C@@H](Cc2ccccc2)C1 ZINC000652695331 492992826 /nfs/dbraw/zinc/99/28/26/492992826.db2.gz ROCWZGNZHXHCPA-SFHVURJKSA-N 2 1 358.486 0.630 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000652695388 492992852 /nfs/dbraw/zinc/99/28/52/492992852.db2.gz SXLHCKREUCTSSB-UHFFFAOYSA-N 2 1 367.538 0.169 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002956 492998833 /nfs/dbraw/zinc/99/88/33/492998833.db2.gz LIIJMLYXPICOHG-FCEWJHQRSA-N 2 1 352.523 0.757 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+](CC(C)(C)N3CCOCC3)CC2)CC1 ZINC000639168570 493001367 /nfs/dbraw/zinc/00/13/67/493001367.db2.gz ARXUWGKMMJXIQL-UHFFFAOYSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646009628 493001340 /nfs/dbraw/zinc/00/13/40/493001340.db2.gz YCLMNHIBKHYBPN-KZNAEPCWSA-N 2 1 352.523 0.535 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000652724406 493003957 /nfs/dbraw/zinc/00/39/57/493003957.db2.gz AMBMXXDFNBBOGO-SJLPKXTDSA-N 2 1 362.518 0.968 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652725305 493004858 /nfs/dbraw/zinc/00/48/58/493004858.db2.gz CXUUJHIRMUUEBF-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000658688997 493008625 /nfs/dbraw/zinc/00/86/25/493008625.db2.gz GXVFULJUSMVPDI-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000658688997 493008629 /nfs/dbraw/zinc/00/86/29/493008629.db2.gz GXVFULJUSMVPDI-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658688997 493008633 /nfs/dbraw/zinc/00/86/33/493008633.db2.gz GXVFULJUSMVPDI-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000658688997 493008638 /nfs/dbraw/zinc/00/86/38/493008638.db2.gz GXVFULJUSMVPDI-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736282 493012538 /nfs/dbraw/zinc/01/25/38/493012538.db2.gz CCRYQACBHARVFT-QRVBRYPASA-N 2 1 370.497 0.582 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652736282 493012541 /nfs/dbraw/zinc/01/25/41/493012541.db2.gz CCRYQACBHARVFT-QRVBRYPASA-N 2 1 370.497 0.582 20 0 FCADMP O[C@]1(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633913 493025921 /nfs/dbraw/zinc/02/59/21/493025921.db2.gz AYHXGWPHXVKWKY-WOJBJXKFSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@]1(C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633913 493025925 /nfs/dbraw/zinc/02/59/25/493025925.db2.gz AYHXGWPHXVKWKY-WOJBJXKFSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@]1(C[NH+]2CCC[C@](O)(Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639633913 493025928 /nfs/dbraw/zinc/02/59/28/493025928.db2.gz AYHXGWPHXVKWKY-WOJBJXKFSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@]1(C[NH+]2CCC[C@](O)(Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639633913 493025931 /nfs/dbraw/zinc/02/59/31/493025931.db2.gz AYHXGWPHXVKWKY-WOJBJXKFSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633910 493026221 /nfs/dbraw/zinc/02/62/21/493026221.db2.gz AYHXGWPHXVKWKY-PMACEKPBSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639633910 493026224 /nfs/dbraw/zinc/02/62/24/493026224.db2.gz AYHXGWPHXVKWKY-PMACEKPBSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[NH+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639633910 493026228 /nfs/dbraw/zinc/02/62/28/493026228.db2.gz AYHXGWPHXVKWKY-PMACEKPBSA-N 2 1 371.485 0.742 20 0 FCADMP O[C@@]1(C[NH+]2CCC[C@@](O)(Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639633910 493026232 /nfs/dbraw/zinc/02/62/32/493026232.db2.gz AYHXGWPHXVKWKY-PMACEKPBSA-N 2 1 371.485 0.742 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000658757331 493043778 /nfs/dbraw/zinc/04/37/78/493043778.db2.gz IEEWNOBBWGOHJG-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000658757331 493043782 /nfs/dbraw/zinc/04/37/82/493043782.db2.gz IEEWNOBBWGOHJG-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658757331 493043785 /nfs/dbraw/zinc/04/37/85/493043785.db2.gz IEEWNOBBWGOHJG-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000658757331 493043788 /nfs/dbraw/zinc/04/37/88/493043788.db2.gz IEEWNOBBWGOHJG-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646415149 493046234 /nfs/dbraw/zinc/04/62/34/493046234.db2.gz DGHSGXQIPPYVBP-JYJNAYRXSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646415149 493046237 /nfs/dbraw/zinc/04/62/37/493046237.db2.gz DGHSGXQIPPYVBP-JYJNAYRXSA-N 2 1 354.495 0.010 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850574 493055924 /nfs/dbraw/zinc/05/59/24/493055924.db2.gz VZOBPCIXJODNAY-JVSBHGNQSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccccc1C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850574 493055930 /nfs/dbraw/zinc/05/59/30/493055930.db2.gz VZOBPCIXJODNAY-JVSBHGNQSA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850574 493055931 /nfs/dbraw/zinc/05/59/31/493055931.db2.gz VZOBPCIXJODNAY-JVSBHGNQSA-N 2 1 364.486 0.322 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639870940 493061781 /nfs/dbraw/zinc/06/17/81/493061781.db2.gz LPLRTDNMTFJWDR-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000639870940 493061787 /nfs/dbraw/zinc/06/17/87/493061787.db2.gz LPLRTDNMTFJWDR-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH+](C)C[C@@H]2CO)CC1 ZINC000639870940 493061790 /nfs/dbraw/zinc/06/17/90/493061790.db2.gz LPLRTDNMTFJWDR-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH+](C)C[C@@H]2CO)CC1 ZINC000639870940 493061795 /nfs/dbraw/zinc/06/17/95/493061795.db2.gz LPLRTDNMTFJWDR-HXUWFJFHSA-N 2 1 374.529 0.638 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000626923646 493063669 /nfs/dbraw/zinc/06/36/69/493063669.db2.gz YDXVSCZDFIULAD-SJLPKXTDSA-N 2 1 369.473 0.886 20 0 FCADMP C[C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000626936549 493067622 /nfs/dbraw/zinc/06/76/22/493067622.db2.gz IZFVIHABMYGVMY-KRWDZBQOSA-N 2 1 363.506 0.814 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194664 493082528 /nfs/dbraw/zinc/08/25/28/493082528.db2.gz SAYFUSSZMFOUEO-YZLZLFLDSA-N 2 1 362.518 0.907 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000627113464 493089322 /nfs/dbraw/zinc/08/93/22/493089322.db2.gz ASHFKOIGZIZJNS-JJRVBVJISA-N 2 1 368.428 0.776 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114010 493089686 /nfs/dbraw/zinc/08/96/86/493089686.db2.gz TXBOUKABBXWEIK-GVDBMIGSSA-N 2 1 350.438 0.637 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC000633049508 493109684 /nfs/dbraw/zinc/10/96/84/493109684.db2.gz JDACOZKIZYDYRP-LDBYLJPUSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000633049508 493109688 /nfs/dbraw/zinc/10/96/88/493109688.db2.gz JDACOZKIZYDYRP-LDBYLJPUSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000633049508 493109691 /nfs/dbraw/zinc/10/96/91/493109691.db2.gz JDACOZKIZYDYRP-LDBYLJPUSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC[N@H+](C2CCC2)C1 ZINC000627233325 493113846 /nfs/dbraw/zinc/11/38/46/493113846.db2.gz DVBIJUBAHKRXNT-YOEHRIQHSA-N 2 1 361.494 0.828 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000633085095 493118681 /nfs/dbraw/zinc/11/86/81/493118681.db2.gz OJPMMQVRHPXPEC-OVYGPGRDSA-N 2 1 364.490 0.049 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633089941 493120754 /nfs/dbraw/zinc/12/07/54/493120754.db2.gz TXWFYZUZVRLYRM-GBESFXJTSA-N 2 1 370.497 0.930 20 0 FCADMP CN(Cc1ccccc1)C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640756593 493128904 /nfs/dbraw/zinc/12/89/04/493128904.db2.gz DRJVEVWHIVHEJP-UHFFFAOYSA-N 2 1 356.474 0.902 20 0 FCADMP COc1ccc(NC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000640759357 493129210 /nfs/dbraw/zinc/12/92/10/493129210.db2.gz QVABSYVPWVULMW-UHFFFAOYSA-N 2 1 358.446 0.891 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297115 493139017 /nfs/dbraw/zinc/13/90/17/493139017.db2.gz BRBVJCICURWENZ-CABCVRRESA-N 2 1 354.495 0.189 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)ccn1 ZINC000640868212 493141650 /nfs/dbraw/zinc/14/16/50/493141650.db2.gz ZXMOSCMJDPRXJD-BBWFWOEESA-N 2 1 362.474 0.740 20 0 FCADMP Cc1ccsc1CNC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640973332 493155987 /nfs/dbraw/zinc/15/59/87/493155987.db2.gz FMSBDYBZOTXQOQ-UHFFFAOYSA-N 2 1 362.503 0.930 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000627329036 493156292 /nfs/dbraw/zinc/15/62/92/493156292.db2.gz XVPUCVNHIUKIRB-AKHDSKFASA-N 2 1 370.497 0.881 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659111105 493158458 /nfs/dbraw/zinc/15/84/58/493158458.db2.gz FVGYCBVQGNMYAG-KFWWJZLASA-N 2 1 362.474 0.958 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659111105 493158463 /nfs/dbraw/zinc/15/84/63/493158463.db2.gz FVGYCBVQGNMYAG-KFWWJZLASA-N 2 1 362.474 0.958 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627336759 493159399 /nfs/dbraw/zinc/15/93/99/493159399.db2.gz JFVOJGAKERDMTJ-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091851 493162266 /nfs/dbraw/zinc/16/22/66/493162266.db2.gz QUKDIIDFQWCOBO-GVDBMIGSSA-N 2 1 363.506 0.608 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CCn3cnc4ccccc4c3=O)nn2)CC1 ZINC000641056737 493164398 /nfs/dbraw/zinc/16/43/98/493164398.db2.gz HGUWUEFEQHZNAC-UHFFFAOYSA-N 2 1 367.457 0.654 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)CC1 ZINC000641048227 493164636 /nfs/dbraw/zinc/16/46/36/493164636.db2.gz ZPCCCLZDTIATFP-QGZVFWFLSA-N 2 1 364.494 0.224 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)CC1 ZINC000641048227 493164638 /nfs/dbraw/zinc/16/46/38/493164638.db2.gz ZPCCCLZDTIATFP-QGZVFWFLSA-N 2 1 364.494 0.224 20 0 FCADMP Cc1[nH+]ccn1CCCCn1cc(CNC(=O)CN2CCC[NH2+]CC2)nn1 ZINC000641150899 493173101 /nfs/dbraw/zinc/17/31/01/493173101.db2.gz ZNROVLZIJOZNCC-UHFFFAOYSA-N 2 1 374.493 0.175 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000659432645 493176726 /nfs/dbraw/zinc/17/67/26/493176726.db2.gz HFROTYKSXCUFHD-UHFFFAOYSA-N 2 1 371.485 0.707 20 0 FCADMP C[C@H]1C[C@H](CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000627362571 493179130 /nfs/dbraw/zinc/17/91/30/493179130.db2.gz QNQUUHDNZAPUAC-RYQLBKOJSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627365082 493180416 /nfs/dbraw/zinc/18/04/16/493180416.db2.gz FFQWCWVMALPWID-YPMHNXCESA-N 2 1 364.412 0.573 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627365496 493180928 /nfs/dbraw/zinc/18/09/28/493180928.db2.gz QICMQLHVYGPKJN-XQQFMLRXSA-N 2 1 366.428 0.819 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627365494 493180939 /nfs/dbraw/zinc/18/09/39/493180939.db2.gz QICMQLHVYGPKJN-AVGNSLFASA-N 2 1 366.428 0.819 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641219880 493182908 /nfs/dbraw/zinc/18/29/08/493182908.db2.gz KCHLWQFHZKJOQT-OALUTQOASA-N 2 1 359.474 0.728 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[NH+]2CCC[C@H]2CO)nn1 ZINC000641219880 493182911 /nfs/dbraw/zinc/18/29/11/493182911.db2.gz KCHLWQFHZKJOQT-OALUTQOASA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@H](O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000641219880 493182918 /nfs/dbraw/zinc/18/29/18/493182918.db2.gz KCHLWQFHZKJOQT-OALUTQOASA-N 2 1 359.474 0.728 20 0 FCADMP C[NH+](Cc1ccccc1)C[C@H](O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000641219880 493182925 /nfs/dbraw/zinc/18/29/25/493182925.db2.gz KCHLWQFHZKJOQT-OALUTQOASA-N 2 1 359.474 0.728 20 0 FCADMP OC[C@@H]1CCC[N@@H+]1Cc1cn(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230519 493184808 /nfs/dbraw/zinc/18/48/08/493184808.db2.gz SCKMZDIUKKJOCZ-PMACEKPBSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@@H]1CCC[N@H+]1Cc1cn(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641230519 493184813 /nfs/dbraw/zinc/18/48/13/493184813.db2.gz SCKMZDIUKKJOCZ-PMACEKPBSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@@H]1CCC[NH+]1Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230519 493184818 /nfs/dbraw/zinc/18/48/18/493184818.db2.gz SCKMZDIUKKJOCZ-PMACEKPBSA-N 2 1 371.485 0.872 20 0 FCADMP OC[C@@H]1CCC[NH+]1Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230519 493184823 /nfs/dbraw/zinc/18/48/23/493184823.db2.gz SCKMZDIUKKJOCZ-PMACEKPBSA-N 2 1 371.485 0.872 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000659501164 493201206 /nfs/dbraw/zinc/20/12/06/493201206.db2.gz XETOYJSDGNKXPB-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000659501164 493201211 /nfs/dbraw/zinc/20/12/11/493201211.db2.gz XETOYJSDGNKXPB-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000659501164 493201215 /nfs/dbraw/zinc/20/12/15/493201215.db2.gz XETOYJSDGNKXPB-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000659501164 493201221 /nfs/dbraw/zinc/20/12/21/493201221.db2.gz XETOYJSDGNKXPB-ULQDDVLXSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627408246 493206552 /nfs/dbraw/zinc/20/65/52/493206552.db2.gz RFRJJLDIFYCHNO-SFHVURJKSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627408246 493206553 /nfs/dbraw/zinc/20/65/53/493206553.db2.gz RFRJJLDIFYCHNO-SFHVURJKSA-N 2 1 358.486 0.691 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538762 493208479 /nfs/dbraw/zinc/20/84/79/493208479.db2.gz LYRZYPVIQWJVQQ-OLZOCXBDSA-N 2 1 351.417 0.606 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548963 493211520 /nfs/dbraw/zinc/21/15/20/493211520.db2.gz JPUHURGGTWNFJT-MSOLQXFVSA-N 2 1 362.474 0.431 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000672593302 493212491 /nfs/dbraw/zinc/21/24/91/493212491.db2.gz JIDFRFKGLPFVNK-PBHICJAKSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593302 493212495 /nfs/dbraw/zinc/21/24/95/493212495.db2.gz JIDFRFKGLPFVNK-PBHICJAKSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000672593302 493212499 /nfs/dbraw/zinc/21/24/99/493212499.db2.gz JIDFRFKGLPFVNK-PBHICJAKSA-N 2 1 364.465 0.973 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000659616519 493220807 /nfs/dbraw/zinc/22/08/07/493220807.db2.gz LPSSJVMEOHLVCP-NNVNDSJASA-N 2 1 358.486 0.921 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659611981 493220929 /nfs/dbraw/zinc/22/09/29/493220929.db2.gz UVMIHAGXESCJQO-ULQDDVLXSA-N 2 1 365.522 0.761 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630140 493223618 /nfs/dbraw/zinc/22/36/18/493223618.db2.gz DOAKHFPANPMMFH-UHFFFAOYSA-N 2 1 366.466 0.141 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000659633562 493226449 /nfs/dbraw/zinc/22/64/49/493226449.db2.gz WNQFXQRRKZFDHL-UHFFFAOYSA-N 2 1 370.457 0.711 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000672695133 493234770 /nfs/dbraw/zinc/23/47/70/493234770.db2.gz JKYVLQUKEFIAOL-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000672699822 493236306 /nfs/dbraw/zinc/23/63/06/493236306.db2.gz JRJMJNWLBIDDAZ-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000672699822 493236308 /nfs/dbraw/zinc/23/63/08/493236308.db2.gz JRJMJNWLBIDDAZ-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000666978273 493245262 /nfs/dbraw/zinc/24/52/62/493245262.db2.gz VVMJENSLPGALDU-HLLBOEOZSA-N 2 1 354.495 0.336 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)NCC3([NH3+])CCCC3)CC2)nc(C)[nH+]1 ZINC000659683062 493250279 /nfs/dbraw/zinc/25/02/79/493250279.db2.gz SQBCQSFDKOBXCP-UHFFFAOYSA-N 2 1 374.489 0.566 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000659688338 493254301 /nfs/dbraw/zinc/25/43/01/493254301.db2.gz XVPUCVNHIUKIRB-INDMIFKZSA-N 2 1 370.497 0.881 20 0 FCADMP CCC[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)S(N)(=O)=O ZINC000667054882 493254670 /nfs/dbraw/zinc/25/46/70/493254670.db2.gz YUQZKIKUZZRCKX-AWEZNQCLSA-N 2 1 355.464 0.229 20 0 FCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC000667181630 493265296 /nfs/dbraw/zinc/26/52/96/493265296.db2.gz HXPWNKPOOIHNDS-STQMWFEESA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[nH]n1 ZINC000667181630 493265298 /nfs/dbraw/zinc/26/52/98/493265298.db2.gz HXPWNKPOOIHNDS-STQMWFEESA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[nH]n1 ZINC000667181630 493265301 /nfs/dbraw/zinc/26/53/01/493265301.db2.gz HXPWNKPOOIHNDS-STQMWFEESA-N 2 1 372.473 0.343 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000659706641 493265419 /nfs/dbraw/zinc/26/54/19/493265419.db2.gz NKXZAGLEYNMNLV-LBPRGKRZSA-N 2 1 368.428 0.770 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659710395 493266851 /nfs/dbraw/zinc/26/68/51/493266851.db2.gz RCFHOYLAWGXYTP-KSZLIROESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000682089889 493268933 /nfs/dbraw/zinc/26/89/33/493268933.db2.gz TZLHSTKOEJLQNL-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666514 493271713 /nfs/dbraw/zinc/27/17/13/493271713.db2.gz FQJVZKCQSJLGBY-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641666514 493271717 /nfs/dbraw/zinc/27/17/17/493271717.db2.gz FQJVZKCQSJLGBY-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666514 493271720 /nfs/dbraw/zinc/27/17/20/493271720.db2.gz FQJVZKCQSJLGBY-MSOLQXFVSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000659739082 493280403 /nfs/dbraw/zinc/28/04/03/493280403.db2.gz MXFKCRWVUGNEKR-UKPHBRMFSA-N 2 1 362.449 0.679 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000659911492 493301976 /nfs/dbraw/zinc/30/19/76/493301976.db2.gz HCROUSHBFMPDOY-LJQANCHMSA-N 2 1 368.566 0.954 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000659911492 493301979 /nfs/dbraw/zinc/30/19/79/493301979.db2.gz HCROUSHBFMPDOY-LJQANCHMSA-N 2 1 368.566 0.954 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667799454 493302742 /nfs/dbraw/zinc/30/27/42/493302742.db2.gz WBBQNNFJGHDYNV-QGZVFWFLSA-N 2 1 372.473 0.498 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000673275234 493309580 /nfs/dbraw/zinc/30/95/80/493309580.db2.gz OAPXMWFJPZFCPF-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000673351072 493320500 /nfs/dbraw/zinc/32/05/00/493320500.db2.gz JGODILIHVIPVHE-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000668547673 493374097 /nfs/dbraw/zinc/37/40/97/493374097.db2.gz AHQXNTUXFNFLID-PKOBYXMFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000668547673 493374099 /nfs/dbraw/zinc/37/40/99/493374099.db2.gz AHQXNTUXFNFLID-PKOBYXMFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668547673 493374101 /nfs/dbraw/zinc/37/41/01/493374101.db2.gz AHQXNTUXFNFLID-PKOBYXMFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668547673 493374103 /nfs/dbraw/zinc/37/41/03/493374103.db2.gz AHQXNTUXFNFLID-PKOBYXMFSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668548020 493374240 /nfs/dbraw/zinc/37/42/40/493374240.db2.gz DFWIQYPRCJBVSH-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000660791066 493380193 /nfs/dbraw/zinc/38/01/93/493380193.db2.gz HXZVUCCEBBGQQX-HOTGVXAUSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000660791066 493380195 /nfs/dbraw/zinc/38/01/95/493380195.db2.gz HXZVUCCEBBGQQX-HOTGVXAUSA-N 2 1 368.522 0.279 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n1C ZINC000660856639 493387159 /nfs/dbraw/zinc/38/71/59/493387159.db2.gz RUIPLYAEJQQNQH-AWEZNQCLSA-N 2 1 350.467 0.539 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668633999 493388009 /nfs/dbraw/zinc/38/80/09/493388009.db2.gz YLIMYEICQNPRFA-OAHLLOKOSA-N 2 1 354.495 0.202 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684200065 493401225 /nfs/dbraw/zinc/40/12/25/493401225.db2.gz QAGZTUSKMBSTOY-QGZVFWFLSA-N 2 1 360.506 0.801 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000674326699 493409012 /nfs/dbraw/zinc/40/90/12/493409012.db2.gz LDPMKHNQRLJOGP-QGZVFWFLSA-N 2 1 356.511 0.753 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000661314080 493426417 /nfs/dbraw/zinc/42/64/17/493426417.db2.gz ZVAKDPGTVQTIJZ-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@H+]1C ZINC000668892658 493429719 /nfs/dbraw/zinc/42/97/19/493429719.db2.gz IXUIRTNGNWYFBV-HOCLYGCPSA-N 2 1 359.474 0.897 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685082422 493447556 /nfs/dbraw/zinc/44/75/56/493447556.db2.gz REGSZEHFRWBJPW-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685082422 493447559 /nfs/dbraw/zinc/44/75/59/493447559.db2.gz REGSZEHFRWBJPW-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685082422 493447562 /nfs/dbraw/zinc/44/75/62/493447562.db2.gz REGSZEHFRWBJPW-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685082422 493447564 /nfs/dbraw/zinc/44/75/64/493447564.db2.gz REGSZEHFRWBJPW-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596721 493450051 /nfs/dbraw/zinc/45/00/51/493450051.db2.gz FELFEOUZDADFAT-BDXSIMOUSA-N 2 1 362.518 0.824 20 0 FCADMP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000674866616 493453332 /nfs/dbraw/zinc/45/33/32/493453332.db2.gz CQFSIGOQYOVITN-LJQANCHMSA-N 2 1 360.502 0.901 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CCC1 ZINC000669026753 493453572 /nfs/dbraw/zinc/45/35/72/493453572.db2.gz JRZRCHPOYXQFDA-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CCC1 ZINC000669026753 493453576 /nfs/dbraw/zinc/45/35/76/493453576.db2.gz JRZRCHPOYXQFDA-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000669147662 493468066 /nfs/dbraw/zinc/46/80/66/493468066.db2.gz AREDINLMPOLXOQ-UHFFFAOYSA-N 2 1 373.501 0.873 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000675189440 493472738 /nfs/dbraw/zinc/47/27/38/493472738.db2.gz ZKCHXRYPLDKGJT-OAHLLOKOSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306597 493473907 /nfs/dbraw/zinc/47/39/07/493473907.db2.gz GXJSTRIOCWUWLQ-WMLDXEAASA-N 2 1 357.458 0.329 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000661951290 493477944 /nfs/dbraw/zinc/47/79/44/493477944.db2.gz KXMASLIQOWNFEU-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340319 493480510 /nfs/dbraw/zinc/48/05/10/493480510.db2.gz QDKBXRCFHOYGHC-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340319 493480512 /nfs/dbraw/zinc/48/05/12/493480512.db2.gz QDKBXRCFHOYGHC-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342103 493481393 /nfs/dbraw/zinc/48/13/93/493481393.db2.gz WOLDLPDAKGVWOT-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342103 493481395 /nfs/dbraw/zinc/48/13/95/493481395.db2.gz WOLDLPDAKGVWOT-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342103 493481397 /nfs/dbraw/zinc/48/13/97/493481397.db2.gz WOLDLPDAKGVWOT-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342103 493481399 /nfs/dbraw/zinc/48/13/99/493481399.db2.gz WOLDLPDAKGVWOT-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000675530544 493487362 /nfs/dbraw/zinc/48/73/62/493487362.db2.gz CKFFTHNGMCYNSA-UHFFFAOYSA-N 2 1 369.554 0.547 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000662159320 493493875 /nfs/dbraw/zinc/49/38/75/493493875.db2.gz XUTKLIUFOXLYJV-SFHVURJKSA-N 2 1 352.523 0.506 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662261749 493500866 /nfs/dbraw/zinc/50/08/66/493500866.db2.gz NLWQQGJEXAPRLU-KRWDZBQOSA-N 3 1 350.507 0.384 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)Nc1ccc(F)cc1 ZINC000662258900 493500910 /nfs/dbraw/zinc/50/09/10/493500910.db2.gz NVKBJUZEMUWRCQ-QGZVFWFLSA-N 2 1 362.449 0.903 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662260979 493501069 /nfs/dbraw/zinc/50/10/69/493501069.db2.gz SIIGILWELAVHID-FGTMMUONSA-N 2 1 364.534 0.630 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000669396712 493502356 /nfs/dbraw/zinc/50/23/56/493502356.db2.gz ZJKNFXOAFXQHQZ-GOSISDBHSA-N 2 1 361.490 0.222 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669430848 493503782 /nfs/dbraw/zinc/50/37/82/493503782.db2.gz HGEKROBFROSYSQ-HKUYNNGSSA-N 2 1 372.517 0.987 20 0 FCADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000669444056 493504342 /nfs/dbraw/zinc/50/43/42/493504342.db2.gz QBRYVTCKEFHOHG-OWCLPIDISA-N 2 1 353.511 0.698 20 0 FCADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(-n2cnnn2)c1 ZINC000675821648 493504418 /nfs/dbraw/zinc/50/44/18/493504418.db2.gz KLEKQLFNHBUCOZ-GOEBONIOSA-N 2 1 357.462 0.900 20 0 FCADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000669444057 493504446 /nfs/dbraw/zinc/50/44/46/493504446.db2.gz QBRYVTCKEFHOHG-PMPSAXMXSA-N 2 1 353.511 0.698 20 0 FCADMP O=C1CNC(=O)N1CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327007 493506864 /nfs/dbraw/zinc/50/68/64/493506864.db2.gz DDXMLRWDXDWPPT-UHFFFAOYSA-N 2 1 360.462 0.608 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669488039 493507698 /nfs/dbraw/zinc/50/76/98/493507698.db2.gz DRQGLXMPZZEOBJ-KZNAEPCWSA-N 2 1 372.517 0.986 20 0 FCADMP C[C@@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC[NH+](C)CC1 ZINC000669490525 493507712 /nfs/dbraw/zinc/50/77/12/493507712.db2.gz MEFYLKURAGYDKF-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)c2cccs2)CC1 ZINC000662348453 493508337 /nfs/dbraw/zinc/50/83/37/493508337.db2.gz RVHXXXHPQKUKTK-AWEZNQCLSA-N 2 1 363.491 0.017 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000669524626 493509160 /nfs/dbraw/zinc/50/91/60/493509160.db2.gz LFMWWXDFEYGNPJ-OWCLPIDISA-N 2 1 363.506 0.465 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@@H+]1CCOC ZINC000662463594 493518111 /nfs/dbraw/zinc/51/81/11/493518111.db2.gz BDBSCJQIGGTVFJ-LSDHHAIUSA-N 2 1 350.467 0.304 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC[N@H+]1CCOC ZINC000662463594 493518113 /nfs/dbraw/zinc/51/81/13/493518113.db2.gz BDBSCJQIGGTVFJ-LSDHHAIUSA-N 2 1 350.467 0.304 20 0 FCADMP Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662486294 493520421 /nfs/dbraw/zinc/52/04/21/493520421.db2.gz WVNPLFIVDMOGBS-OAHLLOKOSA-N 2 1 371.445 0.873 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cn(CC[NH3+])nn3)C2)cc(OC)c1 ZINC000662496596 493521002 /nfs/dbraw/zinc/52/10/02/493521002.db2.gz MUSADLJZADRXAP-AWEZNQCLSA-N 2 1 374.445 0.258 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)c3cn(CC[NH3+])nn3)C2)cc(OC)c1 ZINC000662496596 493521004 /nfs/dbraw/zinc/52/10/04/493521004.db2.gz MUSADLJZADRXAP-AWEZNQCLSA-N 2 1 374.445 0.258 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662517148 493523098 /nfs/dbraw/zinc/52/30/98/493523098.db2.gz RTIANJFVYKZPDM-WFASDCNBSA-N 2 1 367.291 0.955 20 0 FCADMP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000662529201 493524195 /nfs/dbraw/zinc/52/41/95/493524195.db2.gz RGJONNDUUHICAE-KGLIPLIRSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000662529201 493524196 /nfs/dbraw/zinc/52/41/96/493524196.db2.gz RGJONNDUUHICAE-KGLIPLIRSA-N 2 1 350.467 0.120 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662674393 493530997 /nfs/dbraw/zinc/53/09/97/493530997.db2.gz CYCZEIKNZZCKSU-SJORKVTESA-N 2 1 360.458 0.054 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662697229 493532798 /nfs/dbraw/zinc/53/27/98/493532798.db2.gz CKJWVPXQVHAZJP-SJORKVTESA-N 2 1 360.458 0.767 20 0 FCADMP COCC1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]CC1 ZINC000662705713 493533048 /nfs/dbraw/zinc/53/30/48/493533048.db2.gz RQYZLWAKSNKZEM-HZPDHXFCSA-N 2 1 351.491 0.762 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662754749 493538374 /nfs/dbraw/zinc/53/83/74/493538374.db2.gz UWSUJPNLYWWUAR-CQSZACIVSA-N 2 1 355.280 0.813 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662709231 493533567 /nfs/dbraw/zinc/53/35/67/493533567.db2.gz XWCJWORWLWCHKI-OIISXLGYSA-N 2 1 360.458 0.686 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662722709 493534642 /nfs/dbraw/zinc/53/46/42/493534642.db2.gz HYGDOVPVXQOKTB-LSDHHAIUSA-N 2 1 350.467 0.385 20 0 FCADMP COCC[N@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662722709 493534644 /nfs/dbraw/zinc/53/46/44/493534644.db2.gz HYGDOVPVXQOKTB-LSDHHAIUSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1C[C@H](C)O ZINC000662722727 493534750 /nfs/dbraw/zinc/53/47/50/493534750.db2.gz ICUXVACXKSAGKN-XHSDSOJGSA-N 2 1 364.494 0.510 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1C[C@H](C)O ZINC000662722727 493534752 /nfs/dbraw/zinc/53/47/52/493534752.db2.gz ICUXVACXKSAGKN-XHSDSOJGSA-N 2 1 364.494 0.510 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000662723315 493534950 /nfs/dbraw/zinc/53/49/50/493534950.db2.gz KRPWIXKMRWVOHG-HZPDHXFCSA-N 2 1 364.494 0.776 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000662723315 493534952 /nfs/dbraw/zinc/53/49/52/493534952.db2.gz KRPWIXKMRWVOHG-HZPDHXFCSA-N 2 1 364.494 0.776 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758771 493540162 /nfs/dbraw/zinc/54/01/62/493540162.db2.gz STNOOUOERUUURG-HIFRSBDPSA-N 2 1 350.429 0.918 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCNC(C)=O)C2CCSCC2)CC1 ZINC000670109202 493546665 /nfs/dbraw/zinc/54/66/65/493546665.db2.gz NCODMJGGJQYRNG-UHFFFAOYSA-N 2 1 370.563 0.921 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662860120 493547440 /nfs/dbraw/zinc/54/74/40/493547440.db2.gz QMAPISHQDOXPHC-IRXDYDNUSA-N 2 1 370.457 0.309 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662950029 493559493 /nfs/dbraw/zinc/55/94/93/493559493.db2.gz FMQPKBJSSSYQCG-ROUUACIJSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000662947997 493559570 /nfs/dbraw/zinc/55/95/70/493559570.db2.gz DVPZSCFAKXZUNA-ZWKOTPCHSA-N 2 1 358.486 0.712 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662951080 493559940 /nfs/dbraw/zinc/55/99/40/493559940.db2.gz HYERNXVLSGPFEV-OALUTQOASA-N 2 1 372.513 0.830 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662957915 493561093 /nfs/dbraw/zinc/56/10/93/493561093.db2.gz OYLXCGRIPDLWIF-BHIYHBOVSA-N 2 1 372.513 0.958 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662962515 493561309 /nfs/dbraw/zinc/56/13/09/493561309.db2.gz KAWKJANPNKNGBI-GOSISDBHSA-N 2 1 360.502 0.830 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670432434 493566438 /nfs/dbraw/zinc/56/64/38/493566438.db2.gz NQKGTJLNFWHLOA-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670432434 493566440 /nfs/dbraw/zinc/56/64/40/493566440.db2.gz NQKGTJLNFWHLOA-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670432434 493566442 /nfs/dbraw/zinc/56/64/42/493566442.db2.gz NQKGTJLNFWHLOA-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000670432821 493566474 /nfs/dbraw/zinc/56/64/74/493566474.db2.gz JBSNKWCPVDCXER-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000670432821 493566476 /nfs/dbraw/zinc/56/64/76/493566476.db2.gz JBSNKWCPVDCXER-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000670432821 493566478 /nfs/dbraw/zinc/56/64/78/493566478.db2.gz JBSNKWCPVDCXER-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000670525803 493576643 /nfs/dbraw/zinc/57/66/43/493576643.db2.gz USRXPHFOGQLJEX-HUUCEWRRSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670663335 493586038 /nfs/dbraw/zinc/58/60/38/493586038.db2.gz RJIQGDRDNDJAMY-HOTGVXAUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670663335 493586039 /nfs/dbraw/zinc/58/60/39/493586039.db2.gz RJIQGDRDNDJAMY-HOTGVXAUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000670663336 493586205 /nfs/dbraw/zinc/58/62/05/493586205.db2.gz RJIQGDRDNDJAMY-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670663336 493586207 /nfs/dbraw/zinc/58/62/07/493586207.db2.gz RJIQGDRDNDJAMY-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000670671327 493587405 /nfs/dbraw/zinc/58/74/05/493587405.db2.gz OQQNFKQCWDSFIQ-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000670671327 493587407 /nfs/dbraw/zinc/58/74/07/493587407.db2.gz OQQNFKQCWDSFIQ-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000670671327 493587410 /nfs/dbraw/zinc/58/74/10/493587410.db2.gz OQQNFKQCWDSFIQ-GVDBMIGSSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH2+]C[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000663510717 493593633 /nfs/dbraw/zinc/59/36/33/493593633.db2.gz RBRXQCNUUSOXGK-ZDUSSCGKSA-N 2 1 368.503 0.996 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)C2)CC1 ZINC000677331469 493596784 /nfs/dbraw/zinc/59/67/84/493596784.db2.gz OBLQEHRSQWEFTQ-IAGOWNOFSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663580579 493601095 /nfs/dbraw/zinc/60/10/95/493601095.db2.gz SNZJPWIZIQFOCJ-GOSISDBHSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663580579 493601097 /nfs/dbraw/zinc/60/10/97/493601097.db2.gz SNZJPWIZIQFOCJ-GOSISDBHSA-N 2 1 367.538 0.253 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663580579 493601098 /nfs/dbraw/zinc/60/10/98/493601098.db2.gz SNZJPWIZIQFOCJ-GOSISDBHSA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000677787335 493615860 /nfs/dbraw/zinc/61/58/60/493615860.db2.gz CXKMLBGEOVZEMB-RBUKOAKNSA-N 2 1 360.502 0.233 20 0 FCADMP C[NH+]1CCN(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000677787335 493615861 /nfs/dbraw/zinc/61/58/61/493615861.db2.gz CXKMLBGEOVZEMB-RBUKOAKNSA-N 2 1 360.502 0.233 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670977352 493617442 /nfs/dbraw/zinc/61/74/42/493617442.db2.gz JGQKUNFHDOULHV-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670977352 493617444 /nfs/dbraw/zinc/61/74/44/493617444.db2.gz JGQKUNFHDOULHV-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670977352 493617447 /nfs/dbraw/zinc/61/74/47/493617447.db2.gz JGQKUNFHDOULHV-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670977352 493617449 /nfs/dbraw/zinc/61/74/49/493617449.db2.gz JGQKUNFHDOULHV-OALUTQOASA-N 2 1 370.497 0.904 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000670984990 493620364 /nfs/dbraw/zinc/62/03/64/493620364.db2.gz KPUBEXGMXPDMAT-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000671070924 493629311 /nfs/dbraw/zinc/62/93/11/493629311.db2.gz SHFPSLNYIIFCKZ-PBHICJAKSA-N 2 1 354.520 0.140 20 0 FCADMP Cc1cc(N2CCC[C@H]([NH2+]CC3(O)CCS(=O)(=O)CC3)C2)nc(C)[nH+]1 ZINC000678075242 493632675 /nfs/dbraw/zinc/63/26/75/493632675.db2.gz AAAYXJWBXSYLPU-HNNXBMFYSA-N 2 1 368.503 0.592 20 0 FCADMP Cc1cc(N2CCC[C@@H]([NH2+]CC3(O)CCS(=O)(=O)CC3)C2)nc(C)[nH+]1 ZINC000678075243 493632679 /nfs/dbraw/zinc/63/26/79/493632679.db2.gz AAAYXJWBXSYLPU-OAHLLOKOSA-N 2 1 368.503 0.592 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671104723 493635165 /nfs/dbraw/zinc/63/51/65/493635165.db2.gz RUYKYQBLKRWVDC-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671104723 493635168 /nfs/dbraw/zinc/63/51/68/493635168.db2.gz RUYKYQBLKRWVDC-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671104723 493635172 /nfs/dbraw/zinc/63/51/72/493635172.db2.gz RUYKYQBLKRWVDC-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108113 493636683 /nfs/dbraw/zinc/63/66/83/493636683.db2.gz VSXVZDZTMCJDFE-HOTGVXAUSA-N 2 1 362.474 0.913 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC000679369665 493676548 /nfs/dbraw/zinc/67/65/48/493676548.db2.gz XMTSAFPEJHFUSZ-CJNGLKHVSA-N 2 1 354.414 0.758 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000679499466 493683131 /nfs/dbraw/zinc/68/31/31/493683131.db2.gz CURNCZRDPIOZDT-UHFFFAOYSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679500222 493683398 /nfs/dbraw/zinc/68/33/98/493683398.db2.gz RPKZTKFOLBWARE-HIFRSBDPSA-N 2 1 354.414 0.949 20 0 FCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679500222 493683400 /nfs/dbraw/zinc/68/34/00/493683400.db2.gz RPKZTKFOLBWARE-HIFRSBDPSA-N 2 1 354.414 0.949 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679508082 493684347 /nfs/dbraw/zinc/68/43/47/493684347.db2.gz GXKWEILUFMQPSW-UHFFFAOYSA-N 2 1 360.418 0.290 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679508082 493684349 /nfs/dbraw/zinc/68/43/49/493684349.db2.gz GXKWEILUFMQPSW-UHFFFAOYSA-N 2 1 360.418 0.290 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000679509728 493685278 /nfs/dbraw/zinc/68/52/78/493685278.db2.gz PWKSLSAFEJYMPO-STQMWFEESA-N 2 1 354.414 0.947 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000679509728 493685280 /nfs/dbraw/zinc/68/52/80/493685280.db2.gz PWKSLSAFEJYMPO-STQMWFEESA-N 2 1 354.414 0.947 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000671815760 493707240 /nfs/dbraw/zinc/70/72/40/493707240.db2.gz CNCOMQUOJDYTAX-DOTOQJQBSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671815760 493707241 /nfs/dbraw/zinc/70/72/41/493707241.db2.gz CNCOMQUOJDYTAX-DOTOQJQBSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000671815760 493707243 /nfs/dbraw/zinc/70/72/43/493707243.db2.gz CNCOMQUOJDYTAX-DOTOQJQBSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820099 493707760 /nfs/dbraw/zinc/70/77/60/493707760.db2.gz GNGZUBJZRIXRIR-RDJZCZTQSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820099 493707761 /nfs/dbraw/zinc/70/77/61/493707761.db2.gz GNGZUBJZRIXRIR-RDJZCZTQSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872628 493709657 /nfs/dbraw/zinc/70/96/57/493709657.db2.gz AHZQOHKUOGJKEM-NVXWUHKLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672007671 493723645 /nfs/dbraw/zinc/72/36/45/493723645.db2.gz LAONWRUIWMCPPV-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672014050 493724773 /nfs/dbraw/zinc/72/47/73/493724773.db2.gz POQDHXKLAABIQG-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241720 493746109 /nfs/dbraw/zinc/74/61/09/493746109.db2.gz KSBBUXNTLWNFNE-NWDGAFQWSA-N 2 1 373.379 0.614 20 0 FCADMP CN1CC[C@H]2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241720 493746112 /nfs/dbraw/zinc/74/61/12/493746112.db2.gz KSBBUXNTLWNFNE-NWDGAFQWSA-N 2 1 373.379 0.614 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672306653 493753021 /nfs/dbraw/zinc/75/30/21/493753021.db2.gz RQGCEKNUKYQZAJ-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672308854 493753644 /nfs/dbraw/zinc/75/36/44/493753644.db2.gz AETHCCSBJNJCOA-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@@H]1C ZINC000672311502 493754662 /nfs/dbraw/zinc/75/46/62/493754662.db2.gz FFSRBFHZZIQAGE-XIRDDKMYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C ZINC000672311502 493754663 /nfs/dbraw/zinc/75/46/63/493754663.db2.gz FFSRBFHZZIQAGE-XIRDDKMYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C ZINC000672311502 493754666 /nfs/dbraw/zinc/75/46/66/493754666.db2.gz FFSRBFHZZIQAGE-XIRDDKMYSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310828 493754749 /nfs/dbraw/zinc/75/47/49/493754749.db2.gz JHBSPPNHJGRYAP-SJORKVTESA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000666152414 493760412 /nfs/dbraw/zinc/76/04/12/493760412.db2.gz XCMFJPPUULPQFJ-IBGZPJMESA-N 2 1 361.490 0.659 20 0 FCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410474981 534019548 /nfs/dbraw/zinc/01/95/48/534019548.db2.gz LZXMEWPLIOUXSV-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410474981 534019553 /nfs/dbraw/zinc/01/95/53/534019553.db2.gz LZXMEWPLIOUXSV-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000168401652 534326922 /nfs/dbraw/zinc/32/69/22/534326922.db2.gz ZNIXXTFAWMRRAQ-MRXNPFEDSA-N 2 1 362.499 0.791 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000947964621 674369297 /nfs/dbraw/zinc/36/92/97/674369297.db2.gz HCWIDHQWLSJNJN-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000410916761 527766418 /nfs/dbraw/zinc/76/64/18/527766418.db2.gz QXXULRBOZXBCSJ-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000410916761 527766423 /nfs/dbraw/zinc/76/64/23/527766423.db2.gz QXXULRBOZXBCSJ-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000410916761 527766427 /nfs/dbraw/zinc/76/64/27/527766427.db2.gz QXXULRBOZXBCSJ-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000410916761 527766431 /nfs/dbraw/zinc/76/64/31/527766431.db2.gz QXXULRBOZXBCSJ-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000410503163 528122529 /nfs/dbraw/zinc/12/25/29/528122529.db2.gz MDKSIXZPYFZCIT-IYBDPMFKSA-N 2 1 356.511 0.354 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000410503163 528122534 /nfs/dbraw/zinc/12/25/34/528122534.db2.gz MDKSIXZPYFZCIT-IYBDPMFKSA-N 2 1 356.511 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000410729854 528716584 /nfs/dbraw/zinc/71/65/84/528716584.db2.gz KQKWMROTBGEUPS-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000410729854 528716588 /nfs/dbraw/zinc/71/65/88/528716588.db2.gz KQKWMROTBGEUPS-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967828 528977108 /nfs/dbraw/zinc/97/71/08/528977108.db2.gz IQOMTQPMVQTWGG-HXUWFJFHSA-N 2 1 358.486 0.716 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC[N@@H+]1CCOC ZINC000410974075 529355133 /nfs/dbraw/zinc/35/51/33/529355133.db2.gz ISGKEBHNWYLPSV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC[N@H+]1CCOC ZINC000410974075 529355138 /nfs/dbraw/zinc/35/51/38/529355138.db2.gz ISGKEBHNWYLPSV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000410974075 529355140 /nfs/dbraw/zinc/35/51/40/529355140.db2.gz ISGKEBHNWYLPSV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000410974075 529355143 /nfs/dbraw/zinc/35/51/43/529355143.db2.gz ISGKEBHNWYLPSV-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419393251 535080894 /nfs/dbraw/zinc/08/08/94/535080894.db2.gz MKTSXYGXWLIWHE-UHFFFAOYSA-N 2 1 358.486 0.761 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419158187 535081803 /nfs/dbraw/zinc/08/18/03/535081803.db2.gz WFGQHEMCWRTUJL-APWZRJJASA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419399781 535082124 /nfs/dbraw/zinc/08/21/24/535082124.db2.gz ZNXNLXDYLSAZPS-HNNXBMFYSA-N 2 1 358.486 0.747 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419385975 535086474 /nfs/dbraw/zinc/08/64/74/535086474.db2.gz DABJZSZESFBVDI-KRWDZBQOSA-N 2 1 374.485 0.044 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441007309 535120475 /nfs/dbraw/zinc/12/04/75/535120475.db2.gz CGULUQCUWJNJDZ-QGZVFWFLSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441007309 535120479 /nfs/dbraw/zinc/12/04/79/535120479.db2.gz CGULUQCUWJNJDZ-QGZVFWFLSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441007309 535120483 /nfs/dbraw/zinc/12/04/83/535120483.db2.gz CGULUQCUWJNJDZ-QGZVFWFLSA-N 2 1 369.554 0.668 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000423650493 535426159 /nfs/dbraw/zinc/42/61/59/535426159.db2.gz KXFYLQOUZGJZJQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@H+]1CCOC ZINC000423650493 535426162 /nfs/dbraw/zinc/42/61/62/535426162.db2.gz KXFYLQOUZGJZJQ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419761948 535438429 /nfs/dbraw/zinc/43/84/29/535438429.db2.gz QQJHBRKCUZQODF-QGZVFWFLSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132432 535463015 /nfs/dbraw/zinc/46/30/15/535463015.db2.gz BKXXZGHYKLSRGO-QGZVFWFLSA-N 2 1 362.474 0.119 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901583 535597135 /nfs/dbraw/zinc/59/71/35/535597135.db2.gz UICYYQUCFPQCCY-MSOLQXFVSA-N 2 1 373.501 0.763 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)CC1 ZINC000444171843 535612918 /nfs/dbraw/zinc/61/29/18/535612918.db2.gz QDEZCXITFOUOBK-XLIONFOSSA-N 2 1 362.518 0.779 20 0 FCADMP CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCC[NH2+]CC1 ZINC000435630808 535727961 /nfs/dbraw/zinc/72/79/61/535727961.db2.gz YQHJPNGYTCISGK-AWEZNQCLSA-N 2 1 362.478 0.288 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442797275 536306599 /nfs/dbraw/zinc/30/65/99/536306599.db2.gz WNTBRCXZGPKTEO-YIONKMFJSA-N 2 1 366.487 0.877 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000419657273 536369091 /nfs/dbraw/zinc/36/90/91/536369091.db2.gz JMZOQMXBPATUMD-CGTJXYLNSA-N 2 1 358.486 0.976 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cn2)CC1 ZINC000423386365 536404409 /nfs/dbraw/zinc/40/44/09/536404409.db2.gz RSLQMZVUHQRPLG-MRXNPFEDSA-N 2 1 362.478 0.374 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424539434 536450025 /nfs/dbraw/zinc/45/00/25/536450025.db2.gz FEISCRYXTGEMJZ-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP COC1CC[NH+](CCNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000080152882 546568332 /nfs/dbraw/zinc/56/83/32/546568332.db2.gz WWNSDLQATXVSSP-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP COCC[NH+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000591630474 546595956 /nfs/dbraw/zinc/59/59/56/546595956.db2.gz MAKFZPNENVJZRH-UHFFFAOYSA-N 2 1 354.495 0.605 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)C1 ZINC000593735991 546747631 /nfs/dbraw/zinc/74/76/31/546747631.db2.gz CYBZKCMWBKCECH-TUAOUCFPSA-N 2 1 366.384 0.593 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000583614401 546880912 /nfs/dbraw/zinc/88/09/12/546880912.db2.gz FEWODFVPWSGKLD-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000583614401 546880916 /nfs/dbraw/zinc/88/09/16/546880916.db2.gz FEWODFVPWSGKLD-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000537233778 546917611 /nfs/dbraw/zinc/91/76/11/546917611.db2.gz ARWADDJFPICXCY-UHFFFAOYSA-N 2 1 351.495 0.538 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000537233778 546917615 /nfs/dbraw/zinc/91/76/15/546917615.db2.gz ARWADDJFPICXCY-UHFFFAOYSA-N 2 1 351.495 0.538 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000433406291 546922036 /nfs/dbraw/zinc/92/20/36/546922036.db2.gz NNKDUJADXWJFAE-KFWWJZLASA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC[N@H+]1C[C@@H](C)O ZINC000433406291 546922041 /nfs/dbraw/zinc/92/20/41/546922041.db2.gz NNKDUJADXWJFAE-KFWWJZLASA-N 2 1 350.467 0.120 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152774284 546925746 /nfs/dbraw/zinc/92/57/46/546925746.db2.gz HRQYUIRKSVULPO-RDJZCZTQSA-N 2 1 356.511 0.894 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152774284 546925752 /nfs/dbraw/zinc/92/57/52/546925752.db2.gz HRQYUIRKSVULPO-RDJZCZTQSA-N 2 1 356.511 0.894 20 0 FCADMP C[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000641792478 546958701 /nfs/dbraw/zinc/95/87/01/546958701.db2.gz WBLDAWMRVCOELO-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000641798566 546959015 /nfs/dbraw/zinc/95/90/15/546959015.db2.gz NYKQVFVDPUHWGD-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641798566 546959018 /nfs/dbraw/zinc/95/90/18/546959018.db2.gz NYKQVFVDPUHWGD-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641798566 546959022 /nfs/dbraw/zinc/95/90/22/546959022.db2.gz NYKQVFVDPUHWGD-INIZCTEOSA-N 2 1 353.511 0.129 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000641803831 546960241 /nfs/dbraw/zinc/96/02/41/546960241.db2.gz IBPGVUDLQFHVIK-ZNMIVQPWSA-N 2 1 357.520 0.660 20 0 FCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000641803830 546960478 /nfs/dbraw/zinc/96/04/78/546960478.db2.gz IBPGVUDLQFHVIK-RRFJBIMHSA-N 2 1 357.520 0.660 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000548764274 547063552 /nfs/dbraw/zinc/06/35/52/547063552.db2.gz FYVGUQLBTIIZES-IRXDYDNUSA-N 2 1 354.495 0.461 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000550097055 547077265 /nfs/dbraw/zinc/07/72/65/547077265.db2.gz RZJTYIHJAQVXQY-HOTGVXAUSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000550115253 547078591 /nfs/dbraw/zinc/07/85/91/547078591.db2.gz MPBQUGLCGKBPLH-UHFFFAOYSA-N 2 1 364.515 0.529 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000550133421 547079016 /nfs/dbraw/zinc/07/90/16/547079016.db2.gz OCRDWAHYQMEWGX-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000550839306 547110878 /nfs/dbraw/zinc/11/08/78/547110878.db2.gz XIRXXGPMEVLXPO-YOEHRIQHSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000550839306 547110883 /nfs/dbraw/zinc/11/08/83/547110883.db2.gz XIRXXGPMEVLXPO-YOEHRIQHSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000550839303 547111167 /nfs/dbraw/zinc/11/11/67/547111167.db2.gz XIRXXGPMEVLXPO-RHSMWYFYSA-N 2 1 356.536 0.339 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000550839303 547111172 /nfs/dbraw/zinc/11/11/72/547111172.db2.gz XIRXXGPMEVLXPO-RHSMWYFYSA-N 2 1 356.536 0.339 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000551043023 547122540 /nfs/dbraw/zinc/12/25/40/547122540.db2.gz RIWVJDZGYACGPN-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000551043023 547122544 /nfs/dbraw/zinc/12/25/44/547122544.db2.gz RIWVJDZGYACGPN-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000551043023 547122549 /nfs/dbraw/zinc/12/25/49/547122549.db2.gz RIWVJDZGYACGPN-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551216969 547135435 /nfs/dbraw/zinc/13/54/35/547135435.db2.gz GNWMGBYSOHQLKL-QAPCUYQASA-N 2 1 370.563 0.873 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176147 547193570 /nfs/dbraw/zinc/19/35/70/547193570.db2.gz YNFYCNRBDKREOA-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552176147 547193575 /nfs/dbraw/zinc/19/35/75/547193575.db2.gz YNFYCNRBDKREOA-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552176147 547193578 /nfs/dbraw/zinc/19/35/78/547193578.db2.gz YNFYCNRBDKREOA-HOTGVXAUSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000552287303 547199453 /nfs/dbraw/zinc/19/94/53/547199453.db2.gz FGZJPHWQSATKIZ-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552747631 547229196 /nfs/dbraw/zinc/22/91/96/547229196.db2.gz QZOBCYVGRDOJRP-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552747631 547229200 /nfs/dbraw/zinc/22/92/00/547229200.db2.gz QZOBCYVGRDOJRP-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000553394427 547274907 /nfs/dbraw/zinc/27/49/07/547274907.db2.gz OVULHAYNLXWCNG-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000553394427 547274911 /nfs/dbraw/zinc/27/49/11/547274911.db2.gz OVULHAYNLXWCNG-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000553394427 547274916 /nfs/dbraw/zinc/27/49/16/547274916.db2.gz OVULHAYNLXWCNG-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000553699619 547300474 /nfs/dbraw/zinc/30/04/74/547300474.db2.gz BBJBFGVXRWNMAC-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000949010373 674392046 /nfs/dbraw/zinc/39/20/46/674392046.db2.gz CAOQCOUZJJGTES-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000949010373 674392049 /nfs/dbraw/zinc/39/20/49/674392049.db2.gz CAOQCOUZJJGTES-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000949010373 674392051 /nfs/dbraw/zinc/39/20/51/674392051.db2.gz CAOQCOUZJJGTES-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000949010374 674392083 /nfs/dbraw/zinc/39/20/83/674392083.db2.gz CAOQCOUZJJGTES-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000949010374 674392085 /nfs/dbraw/zinc/39/20/85/674392085.db2.gz CAOQCOUZJJGTES-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000949010374 674392087 /nfs/dbraw/zinc/39/20/87/674392087.db2.gz CAOQCOUZJJGTES-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737498390 598530795 /nfs/dbraw/zinc/53/07/95/598530795.db2.gz FHMKFASSSFZEQQ-AAEUAGOBSA-N 2 1 356.438 0.536 20 0 FCADMP C[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736859211 599356040 /nfs/dbraw/zinc/35/60/40/599356040.db2.gz XMDHLDOTIMFGOD-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736859211 599356042 /nfs/dbraw/zinc/35/60/42/599356042.db2.gz XMDHLDOTIMFGOD-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000736859211 599356045 /nfs/dbraw/zinc/35/60/45/599356045.db2.gz XMDHLDOTIMFGOD-ZBFHGGJFSA-N 2 1 360.462 0.880 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000954269212 674493435 /nfs/dbraw/zinc/49/34/35/674493435.db2.gz PEJMIBDCAAJCGA-RHSMWYFYSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000954406426 674496365 /nfs/dbraw/zinc/49/63/65/674496365.db2.gz VWABTTNWTSPVHP-NVXWUHKLSA-N 2 1 350.507 0.728 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408571 674496457 /nfs/dbraw/zinc/49/64/57/674496457.db2.gz FZEXUOPBRBSFFE-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954408571 674496459 /nfs/dbraw/zinc/49/64/59/674496459.db2.gz FZEXUOPBRBSFFE-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408571 674496462 /nfs/dbraw/zinc/49/64/62/674496462.db2.gz FZEXUOPBRBSFFE-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408246 674496516 /nfs/dbraw/zinc/49/65/16/674496516.db2.gz AICQFPLABIEFQE-OIISXLGYSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@H+]1C ZINC000954414935 674497023 /nfs/dbraw/zinc/49/70/23/674497023.db2.gz ZBAXYYKFVORFSC-MXASKKJJSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000954414935 674497025 /nfs/dbraw/zinc/49/70/25/674497025.db2.gz ZBAXYYKFVORFSC-MXASKKJJSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000954414935 674497028 /nfs/dbraw/zinc/49/70/28/674497028.db2.gz ZBAXYYKFVORFSC-MXASKKJJSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000954415950 674497184 /nfs/dbraw/zinc/49/71/84/674497184.db2.gz HGEAJKXEAOKEAB-DLBZAZTESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000954415950 674497186 /nfs/dbraw/zinc/49/71/86/674497186.db2.gz HGEAJKXEAOKEAB-DLBZAZTESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000954415950 674497190 /nfs/dbraw/zinc/49/71/90/674497190.db2.gz HGEAJKXEAOKEAB-DLBZAZTESA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000955339539 674511104 /nfs/dbraw/zinc/51/11/04/674511104.db2.gz JHSGVYUFGFLNMZ-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000955339539 674511106 /nfs/dbraw/zinc/51/11/06/674511106.db2.gz JHSGVYUFGFLNMZ-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000955339539 674511109 /nfs/dbraw/zinc/51/11/09/674511109.db2.gz JHSGVYUFGFLNMZ-BHYGNILZSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC000826044836 609444166 /nfs/dbraw/zinc/44/41/66/609444166.db2.gz LCUJPXJFNIBGPX-UHFFFAOYSA-N 2 1 353.390 0.594 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000729617306 665736287 /nfs/dbraw/zinc/73/62/87/665736287.db2.gz ABEFYFGEEAKZFX-NCOADZHNSA-N 2 1 352.479 0.090 20 0 FCADMP CC1(C)[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000898207257 665806752 /nfs/dbraw/zinc/80/67/52/665806752.db2.gz HCMDQCKTJIHZCW-IRXDYDNUSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000989482942 665817901 /nfs/dbraw/zinc/81/79/01/665817901.db2.gz WZGLYDURUAXDLC-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000938184435 665867572 /nfs/dbraw/zinc/86/75/72/665867572.db2.gz XSPGHLMEKQMOSC-QKPAOTATSA-N 2 1 354.495 0.009 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000938184435 665867576 /nfs/dbraw/zinc/86/75/76/665867576.db2.gz XSPGHLMEKQMOSC-QKPAOTATSA-N 2 1 354.495 0.009 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC000990765012 665931721 /nfs/dbraw/zinc/93/17/21/665931721.db2.gz ROFVUYQTEYLCAM-DFGXFYAUSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC000990765012 665931722 /nfs/dbraw/zinc/93/17/22/665931722.db2.gz ROFVUYQTEYLCAM-DFGXFYAUSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765012 665931725 /nfs/dbraw/zinc/93/17/25/665931725.db2.gz ROFVUYQTEYLCAM-DFGXFYAUSA-N 2 1 371.547 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCS(C)(=O)=O)CC3)CC[NH+]1C ZINC000990765012 665931726 /nfs/dbraw/zinc/93/17/26/665931726.db2.gz ROFVUYQTEYLCAM-DFGXFYAUSA-N 2 1 371.547 0.875 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891339469 663351975 /nfs/dbraw/zinc/35/19/75/663351975.db2.gz BUAXIECJFLEAPP-GXTWGEPZSA-N 2 1 365.444 0.791 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891483847 663408972 /nfs/dbraw/zinc/40/89/72/663408972.db2.gz RZJZCVQUCIKOHM-XHSDSOJGSA-N 2 1 351.495 0.465 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536034 663412191 /nfs/dbraw/zinc/41/21/91/663412191.db2.gz BJCSRGHVQYVFEX-JHJVBQTASA-N 2 1 352.401 0.876 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536037 663412204 /nfs/dbraw/zinc/41/22/04/663412204.db2.gz BJCSRGHVQYVFEX-YNEHKIRRSA-N 2 1 352.401 0.876 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559639 663415514 /nfs/dbraw/zinc/41/55/14/663415514.db2.gz GSYOXMXGXLXXMB-UONOGXRCSA-N 2 1 359.465 0.699 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559639 663415515 /nfs/dbraw/zinc/41/55/15/663415515.db2.gz GSYOXMXGXLXXMB-UONOGXRCSA-N 2 1 359.465 0.699 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891564443 663415535 /nfs/dbraw/zinc/41/55/35/663415535.db2.gz NHCQFJKASLZYJX-DLBZAZTESA-N 2 1 353.511 0.306 20 0 FCADMP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567020 663416061 /nfs/dbraw/zinc/41/60/61/663416061.db2.gz UOJVVCBXOQZWNI-QGZVFWFLSA-N 2 1 355.527 0.553 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781652 663428514 /nfs/dbraw/zinc/42/85/14/663428514.db2.gz LMYQPNYFOGYRAB-FVQBIDKESA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781652 663428517 /nfs/dbraw/zinc/42/85/17/663428517.db2.gz LMYQPNYFOGYRAB-FVQBIDKESA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781652 663428518 /nfs/dbraw/zinc/42/85/18/663428518.db2.gz LMYQPNYFOGYRAB-FVQBIDKESA-N 2 1 369.897 0.788 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCn3cc(Cl)cn3)C2)O1 ZINC000971781652 663428520 /nfs/dbraw/zinc/42/85/20/663428520.db2.gz LMYQPNYFOGYRAB-FVQBIDKESA-N 2 1 369.897 0.788 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000891927532 663450108 /nfs/dbraw/zinc/45/01/08/663450108.db2.gz VEJJBMDXTSVESH-UHFFFAOYSA-N 2 1 351.495 0.513 20 0 FCADMP [NH3+][C@@H]1CCCCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000891951858 663453942 /nfs/dbraw/zinc/45/39/42/663453942.db2.gz AHOBDUHUYOOXSI-MRXNPFEDSA-N 2 1 354.495 0.781 20 0 FCADMP [NH3+]C1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892025463 663468553 /nfs/dbraw/zinc/46/85/53/663468553.db2.gz XLEPHXFBMISXKE-OFLPRAFFSA-N 2 1 353.511 0.352 20 0 FCADMP [NH3+]CC1(CCNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892218727 663495155 /nfs/dbraw/zinc/49/51/55/663495155.db2.gz KLZXAJUNVWQWEJ-INIZCTEOSA-N 2 1 353.511 0.211 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CCC2CC2)CCO3)O1 ZINC000972431576 663533140 /nfs/dbraw/zinc/53/31/40/663533140.db2.gz RJVIBULEYSTOQF-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[NH+](CCC2CC2)CCO3)O1 ZINC000972431576 663533143 /nfs/dbraw/zinc/53/31/43/663533143.db2.gz RJVIBULEYSTOQF-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCC2CC2)CCO3)O1 ZINC000972431576 663533145 /nfs/dbraw/zinc/53/31/45/663533145.db2.gz RJVIBULEYSTOQF-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCC2CC2)CCO3)O1 ZINC000972431576 663533147 /nfs/dbraw/zinc/53/31/47/663533147.db2.gz RJVIBULEYSTOQF-SZVBFZGTSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)[C@@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)[NH+]1CCOCC1 ZINC000924457940 663555565 /nfs/dbraw/zinc/55/55/65/663555565.db2.gz UUBGLSFQMNMNEJ-JKSUJKDBSA-N 2 1 352.479 0.750 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[NH2+]C1 ZINC000892384808 663797660 /nfs/dbraw/zinc/79/76/60/663797660.db2.gz PLCDCQHHKBTGTP-GJZGRUSLSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)O1 ZINC001024999194 664035179 /nfs/dbraw/zinc/03/51/79/664035179.db2.gz UGQBOBKFGHQRQB-FVQBIDKESA-N 2 1 350.467 0.005 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000973334319 664100139 /nfs/dbraw/zinc/10/01/39/664100139.db2.gz CFSWRJCMZODDFC-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000973334319 664100141 /nfs/dbraw/zinc/10/01/41/664100141.db2.gz CFSWRJCMZODDFC-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000973334319 664100143 /nfs/dbraw/zinc/10/01/43/664100143.db2.gz CFSWRJCMZODDFC-OVYGPGRDSA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCC[N@@H+]1CCCO ZINC000892760539 664138646 /nfs/dbraw/zinc/13/86/46/664138646.db2.gz UIVGEBFTIMKCEL-HZPDHXFCSA-N 2 1 354.495 0.291 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000892918457 664154417 /nfs/dbraw/zinc/15/44/17/664154417.db2.gz FLIIMSJDYOUMSP-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789514 664190562 /nfs/dbraw/zinc/19/05/62/664190562.db2.gz CTNKHICPVNKWSK-SLVGVXIZSA-N 2 1 351.491 0.161 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000974188823 664226947 /nfs/dbraw/zinc/22/69/47/664226947.db2.gz SVHQGXKAZDSDSM-WCXIOVBPSA-N 2 1 350.507 0.822 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974189441 664227593 /nfs/dbraw/zinc/22/75/93/664227593.db2.gz GVEIDIGDIOMBPO-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974189441 664227594 /nfs/dbraw/zinc/22/75/94/664227594.db2.gz GVEIDIGDIOMBPO-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974189441 664227596 /nfs/dbraw/zinc/22/75/96/664227596.db2.gz GVEIDIGDIOMBPO-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000974193081 664227818 /nfs/dbraw/zinc/22/78/18/664227818.db2.gz YDITZKVUEBQRNP-DMRKSPOLSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000974193081 664227820 /nfs/dbraw/zinc/22/78/20/664227820.db2.gz YDITZKVUEBQRNP-DMRKSPOLSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000974193081 664227823 /nfs/dbraw/zinc/22/78/23/664227823.db2.gz YDITZKVUEBQRNP-DMRKSPOLSA-N 2 1 350.507 0.964 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917192 664277721 /nfs/dbraw/zinc/27/77/21/664277721.db2.gz WUXSRRXVMUAERL-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917192 664277723 /nfs/dbraw/zinc/27/77/23/664277723.db2.gz WUXSRRXVMUAERL-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001027416436 664396890 /nfs/dbraw/zinc/39/68/90/664396890.db2.gz GBCJHJOOBYUNEW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001027416436 664396893 /nfs/dbraw/zinc/39/68/93/664396893.db2.gz GBCJHJOOBYUNEW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001027416436 664396895 /nfs/dbraw/zinc/39/68/95/664396895.db2.gz GBCJHJOOBYUNEW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001027416436 664396898 /nfs/dbraw/zinc/39/68/98/664396898.db2.gz GBCJHJOOBYUNEW-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)sn1 ZINC000978318059 664434762 /nfs/dbraw/zinc/43/47/62/664434762.db2.gz GDDASSHBHKTWKV-FYNNLBNCSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)sn1 ZINC000978318059 664434766 /nfs/dbraw/zinc/43/47/66/664434766.db2.gz GDDASSHBHKTWKV-FYNNLBNCSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)sn1 ZINC000978318059 664434770 /nfs/dbraw/zinc/43/47/70/664434770.db2.gz GDDASSHBHKTWKV-FYNNLBNCSA-N 2 1 364.515 0.965 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)sn1 ZINC000978318059 664434775 /nfs/dbraw/zinc/43/47/75/664434775.db2.gz GDDASSHBHKTWKV-FYNNLBNCSA-N 2 1 364.515 0.965 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000978869565 664448363 /nfs/dbraw/zinc/44/83/63/664448363.db2.gz GPUPHQPUUNZWEV-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978869565 664448366 /nfs/dbraw/zinc/44/83/66/664448366.db2.gz GPUPHQPUUNZWEV-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978869565 664448369 /nfs/dbraw/zinc/44/83/69/664448369.db2.gz GPUPHQPUUNZWEV-OVYGPGRDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000979865375 664464409 /nfs/dbraw/zinc/46/44/09/664464409.db2.gz YGQWZFDPCHTJPC-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000979865375 664464411 /nfs/dbraw/zinc/46/44/11/664464411.db2.gz YGQWZFDPCHTJPC-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000979865375 664464412 /nfs/dbraw/zinc/46/44/12/664464412.db2.gz YGQWZFDPCHTJPC-HHARLNAUSA-N 2 1 350.507 0.822 20 0 FCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000893606506 664475480 /nfs/dbraw/zinc/47/54/80/664475480.db2.gz PZMHOLPNPGGNEZ-SFHVURJKSA-N 2 1 356.511 0.632 20 0 FCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000893606506 664475483 /nfs/dbraw/zinc/47/54/83/664475483.db2.gz PZMHOLPNPGGNEZ-SFHVURJKSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCCN3CCCC3=O)CC2)CC[N@H+]1C ZINC000981196839 664816461 /nfs/dbraw/zinc/81/64/61/664816461.db2.gz ZILIKDNJZRQALK-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H]3CCN(CC)C3=O)CC2)CC[N@@H+]1C ZINC000981200026 664817737 /nfs/dbraw/zinc/81/77/37/664817737.db2.gz JQBDUEUCRICBLS-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H]3CCN(CC)C3=O)CC2)CC[N@H+]1C ZINC000981200026 664817743 /nfs/dbraw/zinc/81/77/43/664817743.db2.gz JQBDUEUCRICBLS-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@H]3CCN(CC)C3=O)CC2)CC[NH+]1C ZINC000981200026 664817746 /nfs/dbraw/zinc/81/77/46/664817746.db2.gz JQBDUEUCRICBLS-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@H]3CCN(CC)C3=O)CC2)CC[NH+]1C ZINC000981200026 664817749 /nfs/dbraw/zinc/81/77/49/664817749.db2.gz JQBDUEUCRICBLS-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981651662 664834329 /nfs/dbraw/zinc/83/43/29/664834329.db2.gz XQAGMUZEEXBFFC-BHYGNILZSA-N 2 1 350.507 0.681 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](CC(=O)NC)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282867 664864338 /nfs/dbraw/zinc/86/43/38/664864338.db2.gz INUHUDHCWJHJDP-QGWWYQLQSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NC)C[C@]3(C)C2)CC[NH+]1C ZINC000982282867 664864339 /nfs/dbraw/zinc/86/43/39/664864339.db2.gz INUHUDHCWJHJDP-QGWWYQLQSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)NC)C[C@]3(C)C2)CC[NH+]1C ZINC000982282867 664864340 /nfs/dbraw/zinc/86/43/40/664864340.db2.gz INUHUDHCWJHJDP-QGWWYQLQSA-N 2 1 350.507 0.633 20 0 FCADMP COCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546856 664902003 /nfs/dbraw/zinc/90/20/03/664902003.db2.gz HELDWDVMHVEXES-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCN(C)C3=O)C2)CC[N@H+]1C ZINC000983713910 664985527 /nfs/dbraw/zinc/98/55/27/664985527.db2.gz NMHSEGYPKFISJC-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000984016018 665013774 /nfs/dbraw/zinc/01/37/74/665013774.db2.gz QLVHHPJIHYDIBK-AAVRWANBSA-N 2 1 369.897 0.777 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895969140 665065881 /nfs/dbraw/zinc/06/58/81/665065881.db2.gz XXWINULURIHHAK-INIZCTEOSA-N 2 1 351.495 0.642 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300261 665079924 /nfs/dbraw/zinc/07/99/24/665079924.db2.gz FVQRPCXOTQMQGL-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896300261 665079926 /nfs/dbraw/zinc/07/99/26/665079926.db2.gz FVQRPCXOTQMQGL-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896300261 665079928 /nfs/dbraw/zinc/07/99/28/665079928.db2.gz FVQRPCXOTQMQGL-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000984895703 665113814 /nfs/dbraw/zinc/11/38/14/665113814.db2.gz NNBINMVQOSPUAH-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC000985442082 665167688 /nfs/dbraw/zinc/16/76/88/665167688.db2.gz PLTCXXCCWDRBIV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC000985442082 665167690 /nfs/dbraw/zinc/16/76/90/665167690.db2.gz PLTCXXCCWDRBIV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)CC(=O)N3CCC3)CC2)CC[NH+]1C ZINC000985442082 665167691 /nfs/dbraw/zinc/16/76/91/665167691.db2.gz PLTCXXCCWDRBIV-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001029966522 665219648 /nfs/dbraw/zinc/21/96/48/665219648.db2.gz WKDSHLOCJMAERA-OIISXLGYSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000987954889 665271229 /nfs/dbraw/zinc/27/12/29/665271229.db2.gz XUTPBUCGFHZQHN-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988099731 665275463 /nfs/dbraw/zinc/27/54/63/665275463.db2.gz WUDVIMNZWCGDAZ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000729288547 665290300 /nfs/dbraw/zinc/29/03/00/665290300.db2.gz VCPYGQJYPHWHJN-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000729288547 665290301 /nfs/dbraw/zinc/29/03/01/665290301.db2.gz VCPYGQJYPHWHJN-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000938039947 665313095 /nfs/dbraw/zinc/31/30/95/665313095.db2.gz PRCBNAMVPMTUCY-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000988776580 665314225 /nfs/dbraw/zinc/31/42/25/665314225.db2.gz WOHZTWWHQJTOJD-VYDXJSESSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000988783173 665314353 /nfs/dbraw/zinc/31/43/53/665314353.db2.gz PBZOPPHVDBNGSY-PBHICJAKSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[C@]3(O)CCOC3)CC2)nc(C)[nH+]1 ZINC000905154270 666007026 /nfs/dbraw/zinc/00/70/26/666007026.db2.gz IVFCBAQBXXNYLO-FUHWJXTLSA-N 2 1 350.463 0.554 20 0 FCADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[C@]1(O)CCOC1 ZINC000905202665 666012004 /nfs/dbraw/zinc/01/20/04/666012004.db2.gz HOJOJSNSCQJLBY-CEXWTWQISA-N 2 1 350.459 0.245 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000911079331 666310558 /nfs/dbraw/zinc/31/05/58/666310558.db2.gz XOSCRPUQDFYOEG-ZDUSSCGKSA-N 2 1 350.488 0.684 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000911165274 666319145 /nfs/dbraw/zinc/31/91/45/666319145.db2.gz QEXTZPYAAYWHFR-CFVMTHIKSA-N 2 1 350.488 0.535 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)CCC(F)(F)F ZINC000419209693 674732958 /nfs/dbraw/zinc/73/29/58/674732958.db2.gz PSBXXHRQIJCKOO-OAHLLOKOSA-N 2 1 364.412 0.731 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)CCC(F)(F)F ZINC000419209693 674732960 /nfs/dbraw/zinc/73/29/60/674732960.db2.gz PSBXXHRQIJCKOO-OAHLLOKOSA-N 2 1 364.412 0.731 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000938467771 666468347 /nfs/dbraw/zinc/46/83/47/666468347.db2.gz PJMIRYIBVGBEIA-NXOAAHMSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000940761323 666560100 /nfs/dbraw/zinc/56/01/00/666560100.db2.gz BAQKRNMMSZTRTP-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000940771264 666561805 /nfs/dbraw/zinc/56/18/05/666561805.db2.gz HKAHJBWLWKFEEX-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000940771264 666561807 /nfs/dbraw/zinc/56/18/07/666561807.db2.gz HKAHJBWLWKFEEX-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000940771264 666561808 /nfs/dbraw/zinc/56/18/08/666561808.db2.gz HKAHJBWLWKFEEX-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP O=S(=O)(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000311169224 666576337 /nfs/dbraw/zinc/57/63/37/666576337.db2.gz RTSPHFAZIUFJEK-ZWKOTPCHSA-N 2 1 364.515 0.590 20 0 FCADMP O=S(=O)(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000311169224 666576342 /nfs/dbraw/zinc/57/63/42/666576342.db2.gz RTSPHFAZIUFJEK-ZWKOTPCHSA-N 2 1 364.515 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000992401043 666636061 /nfs/dbraw/zinc/63/60/61/666636061.db2.gz PNXWEBKGWPNWSV-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000913683525 666641823 /nfs/dbraw/zinc/64/18/23/666641823.db2.gz GXHCXVHWNKYQPJ-HNNXBMFYSA-N 2 1 355.479 0.177 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000943285829 666768593 /nfs/dbraw/zinc/76/85/93/666768593.db2.gz PISJJPTUSOUILE-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000944210140 666835474 /nfs/dbraw/zinc/83/54/74/666835474.db2.gz KXDVBLBAOZCPRM-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000944210140 666835477 /nfs/dbraw/zinc/83/54/77/666835477.db2.gz KXDVBLBAOZCPRM-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000944210140 666835482 /nfs/dbraw/zinc/83/54/82/666835482.db2.gz KXDVBLBAOZCPRM-VQHPVUNQSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1)[NH+](C)C ZINC000993214112 666853270 /nfs/dbraw/zinc/85/32/70/666853270.db2.gz HAOROMGEFCCVTO-NNFUDEMPSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827258 666891610 /nfs/dbraw/zinc/89/16/10/666891610.db2.gz TZBVBOZFBXXMIM-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993846219 666943425 /nfs/dbraw/zinc/94/34/25/666943425.db2.gz XXPCAVJGMRTDIM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000993846219 666943426 /nfs/dbraw/zinc/94/34/26/666943426.db2.gz XXPCAVJGMRTDIM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000993846219 666943428 /nfs/dbraw/zinc/94/34/28/666943428.db2.gz XXPCAVJGMRTDIM-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC[NH+]3CC)C2)CC[N@H+]1C ZINC000993882311 666945830 /nfs/dbraw/zinc/94/58/30/666945830.db2.gz CXCYLZSAQWFDHD-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC[NH+]1C ZINC000993882311 666945835 /nfs/dbraw/zinc/94/58/35/666945835.db2.gz CXCYLZSAQWFDHD-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)CC[NH+]1C ZINC000993882311 666945837 /nfs/dbraw/zinc/94/58/37/666945837.db2.gz CXCYLZSAQWFDHD-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000916017569 666986596 /nfs/dbraw/zinc/98/65/96/666986596.db2.gz HEVJQKFZXBNSNO-INIZCTEOSA-N 2 1 357.568 0.056 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000994246713 666993633 /nfs/dbraw/zinc/99/36/33/666993633.db2.gz DZEGHQYJRJRFGZ-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031680993 667262931 /nfs/dbraw/zinc/26/29/31/667262931.db2.gz BITXEMGRIHMGRG-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031680993 667262935 /nfs/dbraw/zinc/26/29/35/667262935.db2.gz BITXEMGRIHMGRG-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCn3c(C)csc3=O)C2)CC[N@@H+]1C ZINC001031685962 667268784 /nfs/dbraw/zinc/26/87/84/667268784.db2.gz HPYJCADCEIOHKB-JKSUJKDBSA-N 2 1 366.531 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCn3c(C)csc3=O)C2)CC[N@H+]1C ZINC001031685962 667268788 /nfs/dbraw/zinc/26/87/88/667268788.db2.gz HPYJCADCEIOHKB-JKSUJKDBSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000751452042 667467119 /nfs/dbraw/zinc/46/71/19/667467119.db2.gz YWJCMDLPKGSJHI-MRXNPFEDSA-N 2 1 370.519 0.939 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC001002852355 667571133 /nfs/dbraw/zinc/57/11/33/667571133.db2.gz OHUDUNHGSYVLLY-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCN(CC)C3=O)CC2)CC[N@H+]1C ZINC001002858319 667571825 /nfs/dbraw/zinc/57/18/25/667571825.db2.gz BOQARCYAMRSJBU-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)NC4(CCOCC4)C3=O)C2)CC1 ZINC000755777547 667648157 /nfs/dbraw/zinc/64/81/57/667648157.db2.gz HIQRQTLLLZLAON-OAHLLOKOSA-N 2 1 350.463 0.709 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001033095616 667671204 /nfs/dbraw/zinc/67/12/04/667671204.db2.gz CVMLTQQKELGELQ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001033095616 667671206 /nfs/dbraw/zinc/67/12/06/667671206.db2.gz CVMLTQQKELGELQ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001033095616 667671207 /nfs/dbraw/zinc/67/12/07/667671207.db2.gz CVMLTQQKELGELQ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001033095616 667671209 /nfs/dbraw/zinc/67/12/09/667671209.db2.gz CVMLTQQKELGELQ-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033288481 667726501 /nfs/dbraw/zinc/72/65/01/667726501.db2.gz BWBWILDSOLIQRC-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001005406549 667740065 /nfs/dbraw/zinc/74/00/65/667740065.db2.gz DWNIALYLUXNWEF-NVXWUHKLSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001034674563 667763361 /nfs/dbraw/zinc/76/33/61/667763361.db2.gz JSSAAZRQAVVYJS-IXYNUQLISA-N 2 1 350.467 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)O1 ZINC001034674563 667763362 /nfs/dbraw/zinc/76/33/62/667763362.db2.gz JSSAAZRQAVVYJS-IXYNUQLISA-N 2 1 350.467 0.051 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCO2)CC[N@H+]1C ZINC001035375575 667777733 /nfs/dbraw/zinc/77/77/33/667777733.db2.gz KUWSMGGGJIPJKJ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001035375575 667777736 /nfs/dbraw/zinc/77/77/36/667777736.db2.gz KUWSMGGGJIPJKJ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CC3CCOCC3)CCO2)CC[NH+]1C ZINC001035375575 667777738 /nfs/dbraw/zinc/77/77/38/667777738.db2.gz KUWSMGGGJIPJKJ-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000923013516 667799243 /nfs/dbraw/zinc/79/92/43/667799243.db2.gz IKSQBGXXXCSGEW-UHFFFAOYSA-N 2 1 351.495 0.276 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923283067 667821981 /nfs/dbraw/zinc/82/19/81/667821981.db2.gz ZNFBIRXTTXHRIP-UONOGXRCSA-N 2 1 355.866 0.867 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331870 667826443 /nfs/dbraw/zinc/82/64/43/667826443.db2.gz PDPJTTYEYJOFPZ-GOEBONIOSA-N 2 1 359.536 0.673 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331870 667826449 /nfs/dbraw/zinc/82/64/49/667826449.db2.gz PDPJTTYEYJOFPZ-GOEBONIOSA-N 2 1 359.536 0.673 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000923345780 667827270 /nfs/dbraw/zinc/82/72/70/667827270.db2.gz NADDQTMGLWJRHC-LSDHHAIUSA-N 2 1 353.438 0.885 20 0 FCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923365633 667828000 /nfs/dbraw/zinc/82/80/00/667828000.db2.gz GQPWCUQPEOVQAB-NEPJUHHUSA-N 2 1 351.216 0.579 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923365633 667828005 /nfs/dbraw/zinc/82/80/05/667828005.db2.gz GQPWCUQPEOVQAB-NEPJUHHUSA-N 2 1 351.216 0.579 20 0 FCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923489600 667840703 /nfs/dbraw/zinc/84/07/03/667840703.db2.gz PRXWZYYVGWBXOJ-CQSZACIVSA-N 2 1 352.504 0.884 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000761676981 667893464 /nfs/dbraw/zinc/89/34/64/667893464.db2.gz GBQYCYPVOWFGHU-HOTGVXAUSA-N 2 1 354.495 0.384 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000763034714 667941244 /nfs/dbraw/zinc/94/12/44/667941244.db2.gz YYUVLOHRBRKZLH-CABCVRRESA-N 2 1 352.483 0.206 20 0 FCADMP O[C@@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767691428 668058623 /nfs/dbraw/zinc/05/86/23/668058623.db2.gz UNCLXCMROBVIFL-IAGOWNOFSA-N 2 1 370.563 0.551 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000774788117 668174004 /nfs/dbraw/zinc/17/40/04/668174004.db2.gz HNZBUJYCGXXKEE-HZPDHXFCSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000775013249 668194524 /nfs/dbraw/zinc/19/45/24/668194524.db2.gz SVQRSWWMAQFETR-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP COCCOC[C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365107 668875251 /nfs/dbraw/zinc/87/52/51/668875251.db2.gz HMRHADZHYUJIFW-CRAIPNDOSA-N 2 1 353.463 0.845 20 0 FCADMP COCCOC[C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790365107 668875252 /nfs/dbraw/zinc/87/52/52/668875252.db2.gz HMRHADZHYUJIFW-CRAIPNDOSA-N 2 1 353.463 0.845 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C1CC1 ZINC000819058705 668975250 /nfs/dbraw/zinc/97/52/50/668975250.db2.gz GHIYZOQCCOMZJN-CYBMUJFWSA-N 2 1 355.451 0.296 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C1CC1 ZINC000819058705 668975252 /nfs/dbraw/zinc/97/52/52/668975252.db2.gz GHIYZOQCCOMZJN-CYBMUJFWSA-N 2 1 355.451 0.296 20 0 FCADMP COc1ccc(OC)c([C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000819062468 668975816 /nfs/dbraw/zinc/97/58/16/668975816.db2.gz QIDUYUPEEFNFLS-MRXNPFEDSA-N 2 1 351.447 0.491 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000819288325 668994724 /nfs/dbraw/zinc/99/47/24/668994724.db2.gz XOGUATBPMSDJNE-SFHVURJKSA-N 2 1 358.527 0.878 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=S)NC1CC[NH+](C)CC1)C2 ZINC000795146422 669015840 /nfs/dbraw/zinc/01/58/40/669015840.db2.gz YNAOZRPLYKSOKI-MQVJKMGUSA-N 2 1 367.563 0.628 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000822962054 669309595 /nfs/dbraw/zinc/30/95/95/669309595.db2.gz PULYRBZCVKDZIE-HOTGVXAUSA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+](C)Cc1cnc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000809568167 669632035 /nfs/dbraw/zinc/63/20/35/669632035.db2.gz WIXKNARFBHSEAQ-UHFFFAOYSA-N 2 1 351.520 0.945 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483900 669703671 /nfs/dbraw/zinc/70/36/71/669703671.db2.gz FHIKXIGRCRQVHD-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000829483900 669703673 /nfs/dbraw/zinc/70/36/73/669703673.db2.gz FHIKXIGRCRQVHD-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000829483900 669703677 /nfs/dbraw/zinc/70/36/77/669703677.db2.gz FHIKXIGRCRQVHD-ZWKOTPCHSA-N 2 1 352.523 0.772 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814206669 669877876 /nfs/dbraw/zinc/87/78/76/669877876.db2.gz DRHDOYGTAWKPGG-MRXNPFEDSA-N 2 1 369.579 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000964507246 675066393 /nfs/dbraw/zinc/06/63/93/675066393.db2.gz XOPOEGXICYRLDC-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000964507246 675066398 /nfs/dbraw/zinc/06/63/98/675066398.db2.gz XOPOEGXICYRLDC-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000964507246 675066402 /nfs/dbraw/zinc/06/64/02/675066402.db2.gz XOPOEGXICYRLDC-QBPKDAKJSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000841723915 670606108 /nfs/dbraw/zinc/60/61/08/670606108.db2.gz BOMOVXNOPDOQAX-HZPDHXFCSA-N 2 1 351.495 0.467 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088245 670632808 /nfs/dbraw/zinc/63/28/08/670632808.db2.gz MIZGOJDEYRBDOR-UHFFFAOYSA-N 2 1 360.449 0.858 20 0 FCADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476652 670693012 /nfs/dbraw/zinc/69/30/12/670693012.db2.gz DIKWTJWZAYYBHU-JKSUJKDBSA-N 2 1 352.479 0.940 20 0 FCADMP C[C@@H]1CC2(C[N@H+]1CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CCOCC2 ZINC000842637846 670706028 /nfs/dbraw/zinc/70/60/28/670706028.db2.gz UAJVVBIXZUKXKW-CQSZACIVSA-N 2 1 350.463 0.851 20 0 FCADMP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000843071691 670773180 /nfs/dbraw/zinc/77/31/80/670773180.db2.gz BWLMFBLLYBWSHH-SJLPKXTDSA-N 2 1 370.515 0.950 20 0 FCADMP C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2noc(C3([NH3+])CC3)n2)cc1 ZINC000843203319 670779868 /nfs/dbraw/zinc/77/98/68/670779868.db2.gz BKELUMYTVRHITD-UHFFFAOYSA-N 2 1 365.459 0.914 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843258822 670788964 /nfs/dbraw/zinc/78/89/64/670788964.db2.gz CSXHTGQNOUKRBR-GJZGRUSLSA-N 2 1 356.511 0.626 20 0 FCADMP Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1S(N)(=O)=O ZINC000843364494 670808230 /nfs/dbraw/zinc/80/82/30/670808230.db2.gz FQAQTGXRFWGVRS-UHFFFAOYSA-N 2 1 366.487 0.656 20 0 FCADMP [NH3+]CCCCCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000843511528 670835697 /nfs/dbraw/zinc/83/56/97/670835697.db2.gz NQSQAPGQDLOAAD-INIZCTEOSA-N 2 1 354.495 0.335 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000845946379 671055430 /nfs/dbraw/zinc/05/54/30/671055430.db2.gz KMCOQYBOEQTPIL-CXAGYDPISA-N 2 1 358.483 0.014 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@H]3CCO)CC2)CC1 ZINC000847619750 671212341 /nfs/dbraw/zinc/21/23/41/671212341.db2.gz AHPMGFQEKFMVSW-GOSISDBHSA-N 2 1 353.507 0.793 20 0 FCADMP C[Si](C)(CC[NH+]1CC[C@H](NC(N)=O)C1)CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000859218239 671801662 /nfs/dbraw/zinc/80/16/62/671801662.db2.gz JJVISDGMOFJDEV-KBPBESRZSA-N 2 1 370.574 0.180 20 0 FCADMP COCCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903719234 675963456 /nfs/dbraw/zinc/96/34/56/675963456.db2.gz WYQCAQXQBMUTAO-CVEARBPZSA-N 2 1 360.520 0.671 20 0 FCADMP COCCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903719234 675963458 /nfs/dbraw/zinc/96/34/58/675963458.db2.gz WYQCAQXQBMUTAO-CVEARBPZSA-N 2 1 360.520 0.671 20 0 FCADMP COCCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903719235 675963550 /nfs/dbraw/zinc/96/35/50/675963550.db2.gz WYQCAQXQBMUTAO-HOTGVXAUSA-N 2 1 360.520 0.671 20 0 FCADMP COCCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903719235 675963552 /nfs/dbraw/zinc/96/35/52/675963552.db2.gz WYQCAQXQBMUTAO-HOTGVXAUSA-N 2 1 360.520 0.671 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000861742337 671989516 /nfs/dbraw/zinc/98/95/16/671989516.db2.gz GVEMYLTULVMVNG-KBPBESRZSA-N 2 1 352.504 0.882 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000863551455 672136850 /nfs/dbraw/zinc/13/68/50/672136850.db2.gz MYRUBLRGYPMFTK-MRXNPFEDSA-N 2 1 356.511 0.585 20 0 FCADMP COC(=O)[C@]12C[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C[C@H]1COCC2 ZINC000903918092 675982436 /nfs/dbraw/zinc/98/24/36/675982436.db2.gz RRNGJIQXHWKCCU-UWWQBHOKSA-N 2 1 350.463 0.357 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)CC[N@@H+]1C ZINC001053260595 675992669 /nfs/dbraw/zinc/99/26/69/675992669.db2.gz GXAXAJOMIZFODD-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)CC[N@H+]1C ZINC001053260595 675992671 /nfs/dbraw/zinc/99/26/71/675992671.db2.gz GXAXAJOMIZFODD-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCn1cccn1 ZINC000866688041 672288237 /nfs/dbraw/zinc/28/82/37/672288237.db2.gz LWEHSPAWASZOKM-MRXNPFEDSA-N 2 1 357.524 0.561 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCn1cccn1 ZINC000866688041 672288240 /nfs/dbraw/zinc/28/82/40/672288240.db2.gz LWEHSPAWASZOKM-MRXNPFEDSA-N 2 1 357.524 0.561 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000868232710 672390097 /nfs/dbraw/zinc/39/00/97/672390097.db2.gz RZRYPUHQLHDAGG-GDBMZVCRSA-N 2 1 372.535 0.231 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001055489396 676021232 /nfs/dbraw/zinc/02/12/32/676021232.db2.gz ADOSTNCCCXKSAZ-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622890 672510623 /nfs/dbraw/zinc/51/06/23/672510623.db2.gz TXMFHZRBJAMDFJ-SFHVURJKSA-N 2 1 366.531 0.980 20 0 FCADMP C/C=C(\C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583199 676025103 /nfs/dbraw/zinc/02/51/03/676025103.db2.gz DASBBGFNLVQBFZ-MMNVJINWSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923629846 672544392 /nfs/dbraw/zinc/54/43/92/672544392.db2.gz IWBLPOVKSNKUAM-AWEZNQCLSA-N 2 1 353.492 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001050050483 676078010 /nfs/dbraw/zinc/07/80/10/676078010.db2.gz CLPWHVUMDDHVDE-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001050050483 676078012 /nfs/dbraw/zinc/07/80/12/676078012.db2.gz CLPWHVUMDDHVDE-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001050050483 676078014 /nfs/dbraw/zinc/07/80/14/676078014.db2.gz CLPWHVUMDDHVDE-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001050050483 676078016 /nfs/dbraw/zinc/07/80/16/676078016.db2.gz CLPWHVUMDDHVDE-QKPAOTATSA-N 2 1 357.520 0.294 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001423580 676071446 /nfs/dbraw/zinc/07/14/46/676071446.db2.gz DUHSGEYFWRVAFD-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]CCO1 ZINC000876557420 672963772 /nfs/dbraw/zinc/96/37/72/672963772.db2.gz WPVDTOZLEIZHMB-GOSISDBHSA-N 2 1 355.479 0.143 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050525408 676085538 /nfs/dbraw/zinc/08/55/38/676085538.db2.gz WPQUBIWNVNFUNK-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(=O)NC)CC3)CC[N@H+]1C ZINC001050524045 676085543 /nfs/dbraw/zinc/08/55/43/676085543.db2.gz RMWPHKXXGBRQEV-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)s3)C2)CC[N@@H+]1C ZINC001051624785 676107149 /nfs/dbraw/zinc/10/71/49/676107149.db2.gz VGSFAQPAXKETDT-QLFBSQMISA-N 2 1 367.519 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)s3)C2)CC[N@H+]1C ZINC001051624785 676107150 /nfs/dbraw/zinc/10/71/50/676107150.db2.gz VGSFAQPAXKETDT-QLFBSQMISA-N 2 1 367.519 0.894 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879568923 673128265 /nfs/dbraw/zinc/12/82/65/673128265.db2.gz FWUUFROTWQJZND-KZNAEPCWSA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000879568923 673128269 /nfs/dbraw/zinc/12/82/69/673128269.db2.gz FWUUFROTWQJZND-KZNAEPCWSA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000879568923 673128271 /nfs/dbraw/zinc/12/82/71/673128271.db2.gz FWUUFROTWQJZND-KZNAEPCWSA-N 2 1 352.523 0.485 20 0 FCADMP CCc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051624284 676107025 /nfs/dbraw/zinc/10/70/25/676107025.db2.gz PDOPEHFJNLHIOH-VNQPRFMTSA-N 2 1 350.463 0.894 20 0 FCADMP CCc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051624284 676107032 /nfs/dbraw/zinc/10/70/32/676107032.db2.gz PDOPEHFJNLHIOH-VNQPRFMTSA-N 2 1 350.463 0.894 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC000882493452 673315561 /nfs/dbraw/zinc/31/55/61/673315561.db2.gz HRNRASFTRSIOBU-YVSFHVDLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC000882493452 673315564 /nfs/dbraw/zinc/31/55/64/673315564.db2.gz HRNRASFTRSIOBU-YVSFHVDLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000882493452 673315566 /nfs/dbraw/zinc/31/55/66/673315566.db2.gz HRNRASFTRSIOBU-YVSFHVDLSA-N 2 1 350.507 0.824 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883385694 673372759 /nfs/dbraw/zinc/37/27/59/673372759.db2.gz QWARWNQILFKHRS-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000883694158 673391348 /nfs/dbraw/zinc/39/13/48/673391348.db2.gz VJTQOLZULQDOQY-WTXIUTQJSA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000883694158 673391349 /nfs/dbraw/zinc/39/13/49/673391349.db2.gz VJTQOLZULQDOQY-WTXIUTQJSA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000883694158 673391351 /nfs/dbraw/zinc/39/13/51/673391351.db2.gz VJTQOLZULQDOQY-WTXIUTQJSA-N 2 1 351.495 0.463 20 0 FCADMP COCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000884236924 673441335 /nfs/dbraw/zinc/44/13/35/673441335.db2.gz LQALVILOOXYELB-MRXNPFEDSA-N 2 1 354.882 0.942 20 0 FCADMP COCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000884236923 673441368 /nfs/dbraw/zinc/44/13/68/673441368.db2.gz LQALVILOOXYELB-INIZCTEOSA-N 2 1 354.882 0.942 20 0 FCADMP Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000884435887 673453348 /nfs/dbraw/zinc/45/33/48/673453348.db2.gz NOVFBDZRLQXJHI-HLLBOEOZSA-N 2 1 365.499 0.891 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884493794 673457162 /nfs/dbraw/zinc/45/71/62/673457162.db2.gz CJOBGTIGOYNNHC-IKGGRYGDSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884502368 673457790 /nfs/dbraw/zinc/45/77/90/673457790.db2.gz INNPVEWGGJILBY-WCXIOVBPSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]C1 ZINC000884523396 673459685 /nfs/dbraw/zinc/45/96/85/673459685.db2.gz WHJJTZQFJOJQOU-ZFWWWQNUSA-N 2 1 364.515 0.821 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]C1 ZINC000884523396 673459688 /nfs/dbraw/zinc/45/96/88/673459688.db2.gz WHJJTZQFJOJQOU-ZFWWWQNUSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884555658 673461981 /nfs/dbraw/zinc/46/19/81/673461981.db2.gz WXGPGCPFPJMENM-WTANOLMUSA-N 2 1 350.507 0.809 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601470 673465090 /nfs/dbraw/zinc/46/50/90/673465090.db2.gz MDDVBABEAOLVFZ-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884627097 673467203 /nfs/dbraw/zinc/46/72/03/673467203.db2.gz DOFYIMVDHCTEFU-IFXJQAMLSA-N 2 1 350.507 0.810 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC[C@H]21 ZINC000884970068 673494435 /nfs/dbraw/zinc/49/44/35/673494435.db2.gz CUQAOJKQXSTDJZ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000885007862 673497412 /nfs/dbraw/zinc/49/74/12/673497412.db2.gz LVFPYDIBXQSBST-NQNKBUKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000885276630 673511371 /nfs/dbraw/zinc/51/13/71/673511371.db2.gz SGVZWPXFNGRTCL-RDBSUJKOSA-N 2 1 360.449 0.584 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066595 673618233 /nfs/dbraw/zinc/61/82/33/673618233.db2.gz PILCPZNVCMVBBJ-HNNXBMFYSA-N 2 1 364.515 0.645 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000887068757 673618614 /nfs/dbraw/zinc/61/86/14/673618614.db2.gz RHPJFZMXHDNFPF-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000887068757 673618618 /nfs/dbraw/zinc/61/86/18/673618618.db2.gz RHPJFZMXHDNFPF-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000887079070 673620436 /nfs/dbraw/zinc/62/04/36/673620436.db2.gz JJODXJSFRQOBDB-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000887303285 673626998 /nfs/dbraw/zinc/62/69/98/673626998.db2.gz PGFRFMMGQCGBKZ-IYOUNJFTSA-N 2 1 351.447 0.341 20 0 FCADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927639838 673874134 /nfs/dbraw/zinc/87/41/34/673874134.db2.gz FXBNJLMMWVWFIO-QGZVFWFLSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927639838 673874138 /nfs/dbraw/zinc/87/41/38/673874138.db2.gz FXBNJLMMWVWFIO-QGZVFWFLSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927639838 673874141 /nfs/dbraw/zinc/87/41/41/673874141.db2.gz FXBNJLMMWVWFIO-QGZVFWFLSA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC[N@H+]1C ZINC001011209439 675376936 /nfs/dbraw/zinc/37/69/36/675376936.db2.gz CXNLDMMJLYUPBL-WCXIOVBPSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001011209439 675376940 /nfs/dbraw/zinc/37/69/40/675376940.db2.gz CXNLDMMJLYUPBL-WCXIOVBPSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001011209439 675376946 /nfs/dbraw/zinc/37/69/46/675376946.db2.gz CXNLDMMJLYUPBL-WCXIOVBPSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001011210752 675377494 /nfs/dbraw/zinc/37/74/94/675377494.db2.gz NVNIELJGPVUSTK-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001011210752 675377497 /nfs/dbraw/zinc/37/74/97/675377497.db2.gz NVNIELJGPVUSTK-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001011210752 675377501 /nfs/dbraw/zinc/37/75/01/675377501.db2.gz NVNIELJGPVUSTK-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@@H+]1C ZINC001016632037 675402952 /nfs/dbraw/zinc/40/29/52/675402952.db2.gz KGWWLSIXQBFFGP-KFWWJZLASA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001016632037 675402955 /nfs/dbraw/zinc/40/29/55/675402955.db2.gz KGWWLSIXQBFFGP-KFWWJZLASA-N 2 1 357.520 0.342 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020174695 675436416 /nfs/dbraw/zinc/43/64/16/675436416.db2.gz MKWWFBIWISQGMY-QUSNUVHPSA-N 2 1 371.547 0.778 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001020174749 675436426 /nfs/dbraw/zinc/43/64/26/675436426.db2.gz PEZOXCMUUHQHEZ-XDQVBPFNSA-N 2 1 351.451 0.683 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001020174749 675436428 /nfs/dbraw/zinc/43/64/28/675436428.db2.gz PEZOXCMUUHQHEZ-XDQVBPFNSA-N 2 1 351.451 0.683 20 0 FCADMP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001042738881 675542643 /nfs/dbraw/zinc/54/26/43/675542643.db2.gz PXAPDRSFQCFSEC-QGTPRVQTSA-N 2 1 353.507 0.911 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000900382346 675677453 /nfs/dbraw/zinc/67/74/53/675677453.db2.gz BCGBLOFLXOPWSJ-OAHLLOKOSA-N 2 1 355.479 0.489 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000900382346 675677456 /nfs/dbraw/zinc/67/74/56/675677456.db2.gz BCGBLOFLXOPWSJ-OAHLLOKOSA-N 2 1 355.479 0.489 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](C/C=C/Cl)C3)CC2)O1 ZINC001046038285 675682359 /nfs/dbraw/zinc/68/23/59/675682359.db2.gz JLARMPSVLPMDIA-KTGDWTQYSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](C/C=C/Cl)C3)CC2)O1 ZINC001046038285 675682362 /nfs/dbraw/zinc/68/23/62/675682362.db2.gz JLARMPSVLPMDIA-KTGDWTQYSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](C/C=C/Cl)C3)CC2)O1 ZINC001046038285 675682364 /nfs/dbraw/zinc/68/23/64/675682364.db2.gz JLARMPSVLPMDIA-KTGDWTQYSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](C/C=C/Cl)C3)CC2)O1 ZINC001046038285 675682366 /nfs/dbraw/zinc/68/23/66/675682366.db2.gz JLARMPSVLPMDIA-KTGDWTQYSA-N 2 1 370.925 0.677 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCc3ccns3)C2)O1 ZINC001046414500 675714336 /nfs/dbraw/zinc/71/43/36/675714336.db2.gz IUXYQJDURXBZLO-UNEWFSDZSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCc3ccns3)C2)O1 ZINC001046414500 675714337 /nfs/dbraw/zinc/71/43/37/675714337.db2.gz IUXYQJDURXBZLO-UNEWFSDZSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCc3ccns3)C2)O1 ZINC001046414500 675714339 /nfs/dbraw/zinc/71/43/39/675714339.db2.gz IUXYQJDURXBZLO-UNEWFSDZSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCc3ccns3)C2)O1 ZINC001046414500 675714340 /nfs/dbraw/zinc/71/43/40/675714340.db2.gz IUXYQJDURXBZLO-UNEWFSDZSA-N 2 1 352.504 0.985 20 0 FCADMP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000801544911 675790636 /nfs/dbraw/zinc/79/06/36/675790636.db2.gz WNMHGABRBYTFAE-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001047386442 675796113 /nfs/dbraw/zinc/79/61/13/675796113.db2.gz SUBPADZFCIJIOE-VZEFYGNVSA-N 2 1 366.531 0.838 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001047386442 675796116 /nfs/dbraw/zinc/79/61/16/675796116.db2.gz SUBPADZFCIJIOE-VZEFYGNVSA-N 2 1 366.531 0.838 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001047386442 675796119 /nfs/dbraw/zinc/79/61/19/675796119.db2.gz SUBPADZFCIJIOE-VZEFYGNVSA-N 2 1 366.531 0.838 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001047386442 675796120 /nfs/dbraw/zinc/79/61/20/675796120.db2.gz SUBPADZFCIJIOE-VZEFYGNVSA-N 2 1 366.531 0.838 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)CC[N@H+]1CCn1cncn1 ZINC001088582445 1192198102 /nfs/dbraw/zinc/19/81/02/1192198102.db2.gz PVSXXYQTCMRRDF-ZBFHGGJFSA-N 2 1 357.462 0.633 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)CCN1CCn1cncn1 ZINC001088582445 1192198113 /nfs/dbraw/zinc/19/81/13/1192198113.db2.gz PVSXXYQTCMRRDF-ZBFHGGJFSA-N 2 1 357.462 0.633 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC000969221012 1167822407 /nfs/dbraw/zinc/82/24/07/1167822407.db2.gz NBWASZIFIVJMFZ-XYPHTWIQSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001167091994 1168159484 /nfs/dbraw/zinc/15/94/84/1168159484.db2.gz BAVLHONLFCOPGX-MSOLQXFVSA-N 2 1 358.486 0.660 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192901 1168174077 /nfs/dbraw/zinc/17/40/77/1168174077.db2.gz UHOUPOADKGIMFU-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192901 1168174082 /nfs/dbraw/zinc/17/40/82/1168174082.db2.gz UHOUPOADKGIMFU-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192901 1168174089 /nfs/dbraw/zinc/17/40/89/1168174089.db2.gz UHOUPOADKGIMFU-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083192901 1168174099 /nfs/dbraw/zinc/17/40/99/1168174099.db2.gz UHOUPOADKGIMFU-RYQLBKOJSA-N 2 1 361.490 0.359 20 0 FCADMP CCNC(=O)CO[C@@H]1CCCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001167148739 1168404339 /nfs/dbraw/zinc/40/43/39/1168404339.db2.gz INMKDMMTLXLZHJ-OAHLLOKOSA-N 2 1 362.478 0.526 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088605401 1192306683 /nfs/dbraw/zinc/30/66/83/1192306683.db2.gz RQXIURHRRBTCLS-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088605401 1192306688 /nfs/dbraw/zinc/30/66/88/1192306688.db2.gz RQXIURHRRBTCLS-PMPSAXMXSA-N 2 1 364.490 0.589 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001021260217 1168883222 /nfs/dbraw/zinc/88/32/22/1168883222.db2.gz DRKVKEKZTQZKOG-TZOQOTQKSA-N 2 1 365.518 0.837 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1)C1CCC1 ZINC001021489313 1169468184 /nfs/dbraw/zinc/46/81/84/1169468184.db2.gz TUYKKXLOGOHEOR-GOEBONIOSA-N 2 1 359.474 0.886 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001021636457 1169856188 /nfs/dbraw/zinc/85/61/88/1169856188.db2.gz QBANQAYCUNQRAP-RCCFBDPRSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021712176 1169914316 /nfs/dbraw/zinc/91/43/16/1169914316.db2.gz JMJOZQZQWIAVHO-RCCFBDPRSA-N 2 1 371.485 0.593 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364228 1170063385 /nfs/dbraw/zinc/06/33/85/1170063385.db2.gz SFDPCSQCWXBZRQ-LJIZCISZSA-N 2 1 363.462 0.190 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891365874 1170076242 /nfs/dbraw/zinc/07/62/42/1170076242.db2.gz QSWBPCZUQKSWKG-BVUBDWEXSA-N 2 1 363.462 0.047 20 0 FCADMP CCc1nc(C)cc(NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001111585980 1170643283 /nfs/dbraw/zinc/64/32/83/1170643283.db2.gz ZCVKHXMXGTZWOG-HUUCEWRRSA-N 2 1 365.478 0.299 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001022109852 1170672156 /nfs/dbraw/zinc/67/21/56/1170672156.db2.gz UJUCWCNDYFHSPR-UHDSXZAQSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087167173 1170769808 /nfs/dbraw/zinc/76/98/08/1170769808.db2.gz WGMCNFRGWAPVQI-VNQPRFMTSA-N 2 1 361.494 0.269 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001087167176 1170770020 /nfs/dbraw/zinc/77/00/20/1170770020.db2.gz WIQHXGWMAOISRX-HYVNUMGLSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001087167236 1170771748 /nfs/dbraw/zinc/77/17/48/1170771748.db2.gz ZBDWBGOYGRAPHC-PVAVHDDUSA-N 2 1 360.506 0.874 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1 ZINC001022257247 1170809983 /nfs/dbraw/zinc/80/99/83/1170809983.db2.gz XFVUXKSPEPJRBK-XYJFISCASA-N 2 1 367.453 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC001022274759 1170823910 /nfs/dbraw/zinc/82/39/10/1170823910.db2.gz CIEFOKJPPQOASP-MBMVNNNZSA-N 2 1 359.430 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc4nonc4c3)C2)O1 ZINC001022274759 1170823914 /nfs/dbraw/zinc/82/39/14/1170823914.db2.gz CIEFOKJPPQOASP-MBMVNNNZSA-N 2 1 359.430 0.679 20 0 FCADMP Cc1nc(C)n(CC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971777457 1170825052 /nfs/dbraw/zinc/82/50/52/1170825052.db2.gz BLZNFJJBOHOIHG-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971777457 1170825054 /nfs/dbraw/zinc/82/50/54/1170825054.db2.gz BLZNFJJBOHOIHG-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971777457 1170825059 /nfs/dbraw/zinc/82/50/59/1170825059.db2.gz BLZNFJJBOHOIHG-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971777457 1170825060 /nfs/dbraw/zinc/82/50/60/1170825060.db2.gz BLZNFJJBOHOIHG-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001266866457 1170833494 /nfs/dbraw/zinc/83/34/94/1170833494.db2.gz AVXVORMIFDDYBJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001691142862 1170840022 /nfs/dbraw/zinc/84/00/22/1170840022.db2.gz FRZRDXBERUJCNZ-YESZJQIVSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)CC[NH+]1C ZINC001691142862 1170840027 /nfs/dbraw/zinc/84/00/27/1170840027.db2.gz FRZRDXBERUJCNZ-YESZJQIVSA-N 2 1 352.523 0.927 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083224876 1170841017 /nfs/dbraw/zinc/84/10/17/1170841017.db2.gz UWZXRFUXQFRPKL-OKZBNKHCSA-N 2 1 367.490 0.189 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083224876 1170841018 /nfs/dbraw/zinc/84/10/18/1170841018.db2.gz UWZXRFUXQFRPKL-OKZBNKHCSA-N 2 1 367.490 0.189 20 0 FCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000891762959 1170850189 /nfs/dbraw/zinc/85/01/89/1170850189.db2.gz VGTFMWCIGRCHNL-SJORKVTESA-N 2 1 373.505 0.334 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000891762959 1170850192 /nfs/dbraw/zinc/85/01/92/1170850192.db2.gz VGTFMWCIGRCHNL-SJORKVTESA-N 2 1 373.505 0.334 20 0 FCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000891831006 1170892827 /nfs/dbraw/zinc/89/28/27/1170892827.db2.gz YYJZUQJDLUPGBM-IRXDYDNUSA-N 2 1 358.490 0.679 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988751222 1192437940 /nfs/dbraw/zinc/43/79/40/1192437940.db2.gz KBRVZZNMMAFLAT-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972799 1171368088 /nfs/dbraw/zinc/36/80/88/1171368088.db2.gz LISFSFMJJCPMJI-IEBWSBKVSA-N 2 1 359.518 0.959 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1 ZINC000988783197 1192478367 /nfs/dbraw/zinc/47/83/67/1192478367.db2.gz QGBUPEHHPUWSHM-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1 ZINC000988783197 1192478370 /nfs/dbraw/zinc/47/83/70/1192478370.db2.gz QGBUPEHHPUWSHM-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001022718349 1171808237 /nfs/dbraw/zinc/80/82/37/1171808237.db2.gz TWKUMJNZAMOHGU-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001022718349 1171808240 /nfs/dbraw/zinc/80/82/40/1171808240.db2.gz TWKUMJNZAMOHGU-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@H+]1C ZINC000972251228 1171887248 /nfs/dbraw/zinc/88/72/48/1171887248.db2.gz PLOJSVBGJRKESH-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1 ZINC001104422560 1171953332 /nfs/dbraw/zinc/95/33/32/1171953332.db2.gz YJYSWVPHXNAJGT-NVXWUHKLSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972315933 1171959510 /nfs/dbraw/zinc/95/95/10/1171959510.db2.gz ZTMVAVBDSOMMAV-FGTMMUONSA-N 2 1 371.485 0.593 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249449 1172021584 /nfs/dbraw/zinc/02/15/84/1172021584.db2.gz FUQYGEMWMHYDOZ-IPMKNSEASA-N 2 1 371.481 0.727 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249449 1172021590 /nfs/dbraw/zinc/02/15/90/1172021590.db2.gz FUQYGEMWMHYDOZ-IPMKNSEASA-N 2 1 371.481 0.727 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547731 1192784455 /nfs/dbraw/zinc/78/44/55/1192784455.db2.gz FPLLRWIYWNBJJB-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547731 1192784463 /nfs/dbraw/zinc/78/44/63/1192784463.db2.gz FPLLRWIYWNBJJB-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000537227318 1192788474 /nfs/dbraw/zinc/78/84/74/1192788474.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 2 1 368.522 0.233 20 0 FCADMP CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000537227318 1192788476 /nfs/dbraw/zinc/78/84/76/1192788476.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 2 1 368.522 0.233 20 0 FCADMP CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000537227318 1192788477 /nfs/dbraw/zinc/78/84/77/1192788477.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 2 1 368.522 0.233 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658097 1192802791 /nfs/dbraw/zinc/80/27/91/1192802791.db2.gz IQISXGDWHJYWHK-UTJXIGIESA-N 2 1 364.494 0.193 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658097 1192802793 /nfs/dbraw/zinc/80/27/93/1192802793.db2.gz IQISXGDWHJYWHK-UTJXIGIESA-N 2 1 364.494 0.193 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658097 1192802795 /nfs/dbraw/zinc/80/27/95/1192802795.db2.gz IQISXGDWHJYWHK-UTJXIGIESA-N 2 1 364.494 0.193 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658097 1192802797 /nfs/dbraw/zinc/80/27/97/1192802797.db2.gz IQISXGDWHJYWHK-UTJXIGIESA-N 2 1 364.494 0.193 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658191 1192803153 /nfs/dbraw/zinc/80/31/53/1192803153.db2.gz MXHBBWWLRTULKQ-ZJPYXAASSA-N 2 1 363.506 0.798 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658191 1192803154 /nfs/dbraw/zinc/80/31/54/1192803154.db2.gz MXHBBWWLRTULKQ-ZJPYXAASSA-N 2 1 363.506 0.798 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658191 1192803158 /nfs/dbraw/zinc/80/31/58/1192803158.db2.gz MXHBBWWLRTULKQ-ZJPYXAASSA-N 2 1 363.506 0.798 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658191 1192803159 /nfs/dbraw/zinc/80/31/59/1192803159.db2.gz MXHBBWWLRTULKQ-ZJPYXAASSA-N 2 1 363.506 0.798 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897560374 1192809988 /nfs/dbraw/zinc/80/99/88/1192809988.db2.gz SABNTBVMFSHRHE-HUUCEWRRSA-N 2 1 357.458 0.472 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC(N)=O)CCC2)O1 ZINC001105544654 1192830710 /nfs/dbraw/zinc/83/07/10/1192830710.db2.gz PPCMGMWZCRICRV-BZUAXINKSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC(N)=O)CCC2)O1 ZINC001105544654 1192830712 /nfs/dbraw/zinc/83/07/12/1192830712.db2.gz PPCMGMWZCRICRV-BZUAXINKSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897717571 1192844096 /nfs/dbraw/zinc/84/40/96/1192844096.db2.gz UFCOFPZSGSYMSV-BZUAXINKSA-N 2 1 359.474 0.718 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001075943455 1192869884 /nfs/dbraw/zinc/86/98/84/1192869884.db2.gz RHGTVMYROYHYCM-CYGHRXIMSA-N 2 1 374.485 0.842 20 0 FCADMP COc1cc(CN2CC[C@H](NC(=O)[C@H](C)CN3CCOCC3)[C@H]2C)on1 ZINC001691760944 1178974172 /nfs/dbraw/zinc/97/41/72/1178974172.db2.gz OBNCNTQQJDXFIX-FMKPAKJESA-N 2 1 366.462 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001023381457 1179512423 /nfs/dbraw/zinc/51/24/23/1179512423.db2.gz OEYXSYAFUBMCOE-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001023381457 1179512437 /nfs/dbraw/zinc/51/24/37/1179512437.db2.gz OEYXSYAFUBMCOE-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001023381457 1179512457 /nfs/dbraw/zinc/51/24/57/1179512457.db2.gz OEYXSYAFUBMCOE-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452359 1179755562 /nfs/dbraw/zinc/75/55/62/1179755562.db2.gz YJDUOXAOQGJTJC-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452359 1179755571 /nfs/dbraw/zinc/75/55/71/1179755571.db2.gz YJDUOXAOQGJTJC-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452359 1179755578 /nfs/dbraw/zinc/75/55/78/1179755578.db2.gz YJDUOXAOQGJTJC-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001023452359 1179755588 /nfs/dbraw/zinc/75/55/88/1179755588.db2.gz YJDUOXAOQGJTJC-SOLBZPMBSA-N 2 1 361.490 0.832 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000892369416 1179869553 /nfs/dbraw/zinc/86/95/53/1179869553.db2.gz FIDYJPUCVUFKNV-CALCHBBNSA-N 2 1 358.490 0.536 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2C)C1 ZINC001087248024 1180006550 /nfs/dbraw/zinc/00/65/50/1180006550.db2.gz LGAISUWIQZRZQE-VYDXJSESSA-N 2 1 364.494 0.253 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2C)C1 ZINC001087248024 1180006560 /nfs/dbraw/zinc/00/65/60/1180006560.db2.gz LGAISUWIQZRZQE-VYDXJSESSA-N 2 1 364.494 0.253 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2C)C1 ZINC001087248023 1180006632 /nfs/dbraw/zinc/00/66/32/1180006632.db2.gz LGAISUWIQZRZQE-HLLBOEOZSA-N 2 1 364.494 0.253 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnnn2C)C1 ZINC001087248023 1180006637 /nfs/dbraw/zinc/00/66/37/1180006637.db2.gz LGAISUWIQZRZQE-HLLBOEOZSA-N 2 1 364.494 0.253 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)NC(C)C ZINC001691478049 1180181655 /nfs/dbraw/zinc/18/16/55/1180181655.db2.gz PNFBSILMVQPHLF-IXDOHACOSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)NC(C)C ZINC001691478049 1180181665 /nfs/dbraw/zinc/18/16/65/1180181665.db2.gz PNFBSILMVQPHLF-IXDOHACOSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024650185 1181437812 /nfs/dbraw/zinc/43/78/12/1181437812.db2.gz PKPPMIQVSOVJKB-KBRIMQKVSA-N 2 1 371.441 0.120 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000892545364 1181852268 /nfs/dbraw/zinc/85/22/68/1181852268.db2.gz VLUVTUADILFCBJ-MJGOQNOKSA-N 3 1 372.517 0.939 20 0 FCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000892545364 1181852272 /nfs/dbraw/zinc/85/22/72/1181852272.db2.gz VLUVTUADILFCBJ-MJGOQNOKSA-N 2 1 372.517 0.939 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000892545364 1181852277 /nfs/dbraw/zinc/85/22/77/1181852277.db2.gz VLUVTUADILFCBJ-MJGOQNOKSA-N 2 1 372.517 0.939 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973362640 1182255980 /nfs/dbraw/zinc/25/59/80/1182255980.db2.gz GUVRTBOOEUTQBB-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000973362640 1182255985 /nfs/dbraw/zinc/25/59/85/1182255985.db2.gz GUVRTBOOEUTQBB-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000973362640 1182255989 /nfs/dbraw/zinc/25/59/89/1182255989.db2.gz GUVRTBOOEUTQBB-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000973362640 1182255996 /nfs/dbraw/zinc/25/59/96/1182255996.db2.gz GUVRTBOOEUTQBB-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001104679137 1182360132 /nfs/dbraw/zinc/36/01/32/1182360132.db2.gz GVAPADGYAPGEBM-BRWVUGGUSA-N 2 1 365.522 0.428 20 0 FCADMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021648 1182389919 /nfs/dbraw/zinc/38/99/19/1182389919.db2.gz YTHIXKAHICVMDS-WFXMLNOXSA-N 2 1 370.497 0.978 20 0 FCADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021648 1182389930 /nfs/dbraw/zinc/38/99/30/1182389930.db2.gz YTHIXKAHICVMDS-WFXMLNOXSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021648 1182389938 /nfs/dbraw/zinc/38/99/38/1182389938.db2.gz YTHIXKAHICVMDS-WFXMLNOXSA-N 2 1 370.497 0.978 20 0 FCADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)Cc1ccccc1 ZINC001112021648 1182389944 /nfs/dbraw/zinc/38/99/44/1182389944.db2.gz YTHIXKAHICVMDS-WFXMLNOXSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000892766718 1182491448 /nfs/dbraw/zinc/49/14/48/1182491448.db2.gz NJQUHMCEPGCUAH-BBWFWOEESA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000892766718 1182491461 /nfs/dbraw/zinc/49/14/61/1182491461.db2.gz NJQUHMCEPGCUAH-BBWFWOEESA-N 2 1 368.522 0.896 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000892789551 1182507255 /nfs/dbraw/zinc/50/72/55/1182507255.db2.gz QCESXDXLMPIREC-QZTJIDSGSA-N 2 1 371.485 0.307 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000892920577 1182577701 /nfs/dbraw/zinc/57/77/01/1182577701.db2.gz XGILJWBJXIXPBA-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052490 1182870066 /nfs/dbraw/zinc/87/00/66/1182870066.db2.gz FOOXRUPGSWUHQI-KZNAEPCWSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052490 1182870067 /nfs/dbraw/zinc/87/00/67/1182870067.db2.gz FOOXRUPGSWUHQI-KZNAEPCWSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052490 1182870068 /nfs/dbraw/zinc/87/00/68/1182870068.db2.gz FOOXRUPGSWUHQI-KZNAEPCWSA-N 2 1 365.522 0.271 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104937861 1183011125 /nfs/dbraw/zinc/01/11/25/1183011125.db2.gz JWWXIHIFFQSWNP-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001105040314 1183087797 /nfs/dbraw/zinc/08/77/97/1183087797.db2.gz GSZSXNIZBPEILV-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001105040314 1183087805 /nfs/dbraw/zinc/08/78/05/1183087805.db2.gz GSZSXNIZBPEILV-KBAYOESNSA-N 2 1 363.506 0.715 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042070 1183089989 /nfs/dbraw/zinc/08/99/89/1183089989.db2.gz MXVBBKFIAQCMFI-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042070 1183089995 /nfs/dbraw/zinc/08/99/95/1183089995.db2.gz MXVBBKFIAQCMFI-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001105042578 1183090172 /nfs/dbraw/zinc/09/01/72/1183090172.db2.gz XPPJPFDMYBGOPE-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268228 1183166745 /nfs/dbraw/zinc/16/67/45/1183166745.db2.gz FWSVZCWXYCSMTB-XJKCOSOUSA-N 2 1 368.457 0.218 20 0 FCADMP C[C@@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268228 1183166751 /nfs/dbraw/zinc/16/67/51/1183166751.db2.gz FWSVZCWXYCSMTB-XJKCOSOUSA-N 2 1 368.457 0.218 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974571001 1183352647 /nfs/dbraw/zinc/35/26/47/1183352647.db2.gz LRYYZXRPUKYFST-IAGOWNOFSA-N 2 1 371.485 0.879 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@H+]1C ZINC000974597502 1183375613 /nfs/dbraw/zinc/37/56/13/1183375613.db2.gz FMXHENTWTSSAIA-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974597502 1183375615 /nfs/dbraw/zinc/37/56/15/1183375615.db2.gz FMXHENTWTSSAIA-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974597502 1183375619 /nfs/dbraw/zinc/37/56/19/1183375619.db2.gz FMXHENTWTSSAIA-ARFHVFGLSA-N 2 1 365.522 0.569 20 0 FCADMP COc1coc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001026853246 1183417076 /nfs/dbraw/zinc/41/70/76/1183417076.db2.gz BMUSILAETICKKI-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975205041 1183766926 /nfs/dbraw/zinc/76/69/26/1183766926.db2.gz WBZBFQWBWBATKR-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975205041 1183766932 /nfs/dbraw/zinc/76/69/32/1183766932.db2.gz WBZBFQWBWBATKR-DJIMGWMZSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)C1 ZINC000975203925 1183767028 /nfs/dbraw/zinc/76/70/28/1183767028.db2.gz OVQJLVYINPYHMD-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975312464 1183834219 /nfs/dbraw/zinc/83/42/19/1183834219.db2.gz WLDIPRMEZXUVQV-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000975312464 1183834221 /nfs/dbraw/zinc/83/42/21/1183834221.db2.gz WLDIPRMEZXUVQV-HYVNUMGLSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC000975622469 1183989311 /nfs/dbraw/zinc/98/93/11/1183989311.db2.gz GCSFFMZRBLWLKT-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC000975622469 1183989319 /nfs/dbraw/zinc/98/93/19/1183989319.db2.gz GCSFFMZRBLWLKT-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765691 1185704660 /nfs/dbraw/zinc/70/46/60/1185704660.db2.gz RLVUBLJRBYMCPI-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765691 1185704671 /nfs/dbraw/zinc/70/46/71/1185704671.db2.gz RLVUBLJRBYMCPI-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765691 1185704679 /nfs/dbraw/zinc/70/46/79/1185704679.db2.gz RLVUBLJRBYMCPI-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2ccccc2)n1 ZINC001211667007 1185952865 /nfs/dbraw/zinc/95/28/65/1185952865.db2.gz REOOUDFYGAFQEK-ZWKOTPCHSA-N 2 1 356.474 0.851 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000978670746 1185989931 /nfs/dbraw/zinc/98/99/31/1185989931.db2.gz YJYDAZZFSOXSFJ-YIDVYQOGSA-N 2 1 359.474 0.629 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC000978670746 1185989939 /nfs/dbraw/zinc/98/99/39/1185989939.db2.gz YJYDAZZFSOXSFJ-YIDVYQOGSA-N 2 1 359.474 0.629 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211687944 1186031121 /nfs/dbraw/zinc/03/11/21/1186031121.db2.gz HYAQPRIQMQUZRU-RBUKOAKNSA-N 2 1 361.486 0.939 20 0 FCADMP Cc1oncc1CN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481468865 1186092932 /nfs/dbraw/zinc/09/29/32/1186092932.db2.gz LERZCEPAWUHFOK-CRAIPNDOSA-N 2 1 363.506 0.899 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000979997202 1186160372 /nfs/dbraw/zinc/16/03/72/1186160372.db2.gz VNVNHNBFBPEXEH-ZHCJQAHYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000979997202 1186160376 /nfs/dbraw/zinc/16/03/76/1186160376.db2.gz VNVNHNBFBPEXEH-ZHCJQAHYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000979997202 1186160378 /nfs/dbraw/zinc/16/03/78/1186160378.db2.gz VNVNHNBFBPEXEH-ZHCJQAHYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000979997202 1186160384 /nfs/dbraw/zinc/16/03/84/1186160384.db2.gz VNVNHNBFBPEXEH-ZHCJQAHYSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000979997188 1186160587 /nfs/dbraw/zinc/16/05/87/1186160587.db2.gz VJDJYQNSTVQERO-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000979997188 1186160592 /nfs/dbraw/zinc/16/05/92/1186160592.db2.gz VJDJYQNSTVQERO-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000979997188 1186160598 /nfs/dbraw/zinc/16/05/98/1186160598.db2.gz VJDJYQNSTVQERO-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000979997188 1186160601 /nfs/dbraw/zinc/16/06/01/1186160601.db2.gz VJDJYQNSTVQERO-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001027893226 1186197688 /nfs/dbraw/zinc/19/76/88/1186197688.db2.gz PSPSWJVQKSCQAR-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001027893226 1186197691 /nfs/dbraw/zinc/19/76/91/1186197691.db2.gz PSPSWJVQKSCQAR-OWCLPIDISA-N 2 1 364.490 0.446 20 0 FCADMP Cc1noc(CCC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027965457 1186241921 /nfs/dbraw/zinc/24/19/21/1186241921.db2.gz CMFTVWITYQLUMP-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027965457 1186241928 /nfs/dbraw/zinc/24/19/28/1186241928.db2.gz CMFTVWITYQLUMP-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965457 1186241935 /nfs/dbraw/zinc/24/19/35/1186241935.db2.gz CMFTVWITYQLUMP-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965457 1186241938 /nfs/dbraw/zinc/24/19/38/1186241938.db2.gz CMFTVWITYQLUMP-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)CC(F)(F)F)CC2)CC[N@H+]1C ZINC001670783884 1186372117 /nfs/dbraw/zinc/37/21/17/1186372117.db2.gz AJKZLSNBBTXFIG-VXGBXAGGSA-N 2 1 364.412 0.586 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000981379703 1186406707 /nfs/dbraw/zinc/40/67/07/1186406707.db2.gz UDXBZLWATVYLJH-BZUAXINKSA-N 2 1 359.474 0.964 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981684280 1186485607 /nfs/dbraw/zinc/48/56/07/1186485607.db2.gz HQNVYAVWZFZPFN-BBWFWOEESA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784974 1186520548 /nfs/dbraw/zinc/52/05/48/1186520548.db2.gz YVRNDMCGUYRHCZ-GVDBMIGSSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841627 1186545361 /nfs/dbraw/zinc/54/53/61/1186545361.db2.gz HVQNWUQGOSEBFK-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841627 1186545364 /nfs/dbraw/zinc/54/53/64/1186545364.db2.gz HVQNWUQGOSEBFK-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841627 1186545368 /nfs/dbraw/zinc/54/53/68/1186545368.db2.gz HVQNWUQGOSEBFK-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841627 1186545374 /nfs/dbraw/zinc/54/53/74/1186545374.db2.gz HVQNWUQGOSEBFK-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151609 1186569401 /nfs/dbraw/zinc/56/94/01/1186569401.db2.gz FXNCFKQIEPLNST-KSZLIROESA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151609 1186569403 /nfs/dbraw/zinc/56/94/03/1186569403.db2.gz FXNCFKQIEPLNST-KSZLIROESA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151609 1186569406 /nfs/dbraw/zinc/56/94/06/1186569406.db2.gz FXNCFKQIEPLNST-KSZLIROESA-N 2 1 358.486 0.658 20 0 FCADMP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151609 1186569408 /nfs/dbraw/zinc/56/94/08/1186569408.db2.gz FXNCFKQIEPLNST-KSZLIROESA-N 2 1 358.486 0.658 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001028552075 1187604117 /nfs/dbraw/zinc/60/41/17/1187604117.db2.gz FVGLVANAIVUVAE-QLFBSQMISA-N 2 1 363.462 0.782 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372384 1187693295 /nfs/dbraw/zinc/69/32/95/1187693295.db2.gz NRPSJZBIDDXEOJ-SQNIBIBYSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372384 1187693297 /nfs/dbraw/zinc/69/32/97/1187693297.db2.gz NRPSJZBIDDXEOJ-SQNIBIBYSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372384 1187693300 /nfs/dbraw/zinc/69/33/00/1187693300.db2.gz NRPSJZBIDDXEOJ-SQNIBIBYSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372384 1187693301 /nfs/dbraw/zinc/69/33/01/1187693301.db2.gz NRPSJZBIDDXEOJ-SQNIBIBYSA-N 2 1 361.486 0.883 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001028629097 1187757454 /nfs/dbraw/zinc/75/74/54/1187757454.db2.gz GQFNUIPWTQGPKM-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCCN3CCCC3=O)C2)O1 ZINC001028629097 1187757463 /nfs/dbraw/zinc/75/74/63/1187757463.db2.gz GQFNUIPWTQGPKM-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCCN3CCCC3=O)C2)O1 ZINC001028629097 1187757468 /nfs/dbraw/zinc/75/74/68/1187757468.db2.gz GQFNUIPWTQGPKM-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)O1 ZINC001028629097 1187757477 /nfs/dbraw/zinc/75/74/77/1187757477.db2.gz GQFNUIPWTQGPKM-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C3CC3)CCCC2)CC[N@@H+]1C ZINC001482218867 1187849737 /nfs/dbraw/zinc/84/97/37/1187849737.db2.gz ADYRUUGUBZIPTO-UKRRQHHQSA-N 2 1 361.494 0.867 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C3CC3)CCCC2)CC[N@H+]1C ZINC001482218867 1187849738 /nfs/dbraw/zinc/84/97/38/1187849738.db2.gz ADYRUUGUBZIPTO-UKRRQHHQSA-N 2 1 361.494 0.867 20 0 FCADMP Cn1cncc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001270155696 1188033371 /nfs/dbraw/zinc/03/33/71/1188033371.db2.gz QJEWQEBIHIIKAW-HOTGVXAUSA-N 2 1 359.474 0.759 20 0 FCADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCc2c[nH+]cn21 ZINC001270286104 1188080082 /nfs/dbraw/zinc/08/00/82/1188080082.db2.gz DEKLBMZDMXERII-ZACQAIPSSA-N 2 1 359.474 0.914 20 0 FCADMP Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC001270334156 1188099443 /nfs/dbraw/zinc/09/94/43/1188099443.db2.gz YPINNWRDCZLIOK-DJIMGWMZSA-N 2 1 359.474 0.854 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000550035932 1188214144 /nfs/dbraw/zinc/21/41/44/1188214144.db2.gz LUKVAJYEJVGHSY-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550035107 1188214755 /nfs/dbraw/zinc/21/47/55/1188214755.db2.gz RLGREBCLRLWNBB-SFHVURJKSA-N 2 1 360.502 0.830 20 0 FCADMP C[C@H]([NH2+]Cc1ncnn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111596 1188293747 /nfs/dbraw/zinc/29/37/47/1188293747.db2.gz KXSONAKYFUMZPO-IJEWVQPXSA-N 2 1 364.494 0.251 20 0 FCADMP COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC000983922557 1188398459 /nfs/dbraw/zinc/39/84/59/1188398459.db2.gz GSVYJFMDHWODBP-NMFUWQPSSA-N 2 1 356.430 0.996 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCOCCNC(C)=O ZINC001691516181 1188401013 /nfs/dbraw/zinc/40/10/13/1188401013.db2.gz XNANIMOZNLMRFK-IXDOHACOSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCOCCNC(C)=O ZINC001691516181 1188401016 /nfs/dbraw/zinc/40/10/16/1188401016.db2.gz XNANIMOZNLMRFK-IXDOHACOSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCOCCNC(C)=O ZINC001691516181 1188401020 /nfs/dbraw/zinc/40/10/20/1188401020.db2.gz XNANIMOZNLMRFK-IXDOHACOSA-N 2 1 354.495 0.060 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075800412 1189367709 /nfs/dbraw/zinc/36/77/09/1189367709.db2.gz XGQVIFUWUWXJTR-CGTJXYLNSA-N 2 1 371.485 0.860 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075800412 1189367710 /nfs/dbraw/zinc/36/77/10/1189367710.db2.gz XGQVIFUWUWXJTR-CGTJXYLNSA-N 2 1 371.485 0.860 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC000984013585 1189373301 /nfs/dbraw/zinc/37/33/01/1189373301.db2.gz JEOVAEYZBFDZQQ-ATNYBXOESA-N 2 1 361.490 0.533 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC000984013585 1189373305 /nfs/dbraw/zinc/37/33/05/1189373305.db2.gz JEOVAEYZBFDZQQ-ATNYBXOESA-N 2 1 361.490 0.533 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000550457075 1189497861 /nfs/dbraw/zinc/49/78/61/1189497861.db2.gz IQCFSEPEECPTHF-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000550457075 1189497880 /nfs/dbraw/zinc/49/78/80/1189497880.db2.gz IQCFSEPEECPTHF-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000550457075 1189497889 /nfs/dbraw/zinc/49/78/89/1189497889.db2.gz IQCFSEPEECPTHF-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087726169 1189804404 /nfs/dbraw/zinc/80/44/04/1189804404.db2.gz ULJXMGVIWROBBI-HRCADAONSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087726169 1189804405 /nfs/dbraw/zinc/80/44/05/1189804405.db2.gz ULJXMGVIWROBBI-HRCADAONSA-N 2 1 364.490 0.589 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087726169 1189804408 /nfs/dbraw/zinc/80/44/08/1189804408.db2.gz ULJXMGVIWROBBI-HRCADAONSA-N 2 1 364.490 0.589 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000984413968 1189840553 /nfs/dbraw/zinc/84/05/53/1189840553.db2.gz YIVPDNIDLXJDMW-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087847425 1189851253 /nfs/dbraw/zinc/85/12/53/1189851253.db2.gz VNPOSWVMDZACJC-JKSUJKDBSA-N 2 1 363.462 0.147 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895851933 1189887790 /nfs/dbraw/zinc/88/77/90/1189887790.db2.gz ZVHGOCDERJUIFW-KURKYZTESA-N 2 1 366.506 0.480 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)nn1 ZINC001087908615 1189893709 /nfs/dbraw/zinc/89/37/09/1189893709.db2.gz IDDWOGQYJYSUJI-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)nn1 ZINC001087908615 1189893711 /nfs/dbraw/zinc/89/37/11/1189893711.db2.gz IDDWOGQYJYSUJI-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)nn1 ZINC001087908615 1189893713 /nfs/dbraw/zinc/89/37/13/1189893713.db2.gz IDDWOGQYJYSUJI-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)NC1CC1 ZINC001087967670 1190024726 /nfs/dbraw/zinc/02/47/26/1190024726.db2.gz GOCZPHHYXWBMKE-RYRKJORJSA-N 2 1 360.502 0.387 20 0 FCADMP COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969532 1190026689 /nfs/dbraw/zinc/02/66/89/1190026689.db2.gz AACNBYJAJZTZDF-ZACQAIPSSA-N 2 1 363.506 0.874 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1 ZINC001087969839 1190026782 /nfs/dbraw/zinc/02/67/82/1190026782.db2.gz RDRHTENCNOACIG-WCXIOVBPSA-N 2 1 371.485 0.420 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986653 1190118507 /nfs/dbraw/zinc/11/85/07/1190118507.db2.gz VMTAHNDYKNGPIH-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986653 1190118509 /nfs/dbraw/zinc/11/85/09/1190118509.db2.gz VMTAHNDYKNGPIH-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986653 1190118515 /nfs/dbraw/zinc/11/85/15/1190118515.db2.gz VMTAHNDYKNGPIH-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001087986653 1190118522 /nfs/dbraw/zinc/11/85/22/1190118522.db2.gz VMTAHNDYKNGPIH-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993581 1190144167 /nfs/dbraw/zinc/14/41/67/1190144167.db2.gz UKOBJFGUXRPGBM-RYRKJORJSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993581 1190144172 /nfs/dbraw/zinc/14/41/72/1190144172.db2.gz UKOBJFGUXRPGBM-RYRKJORJSA-N 2 1 360.506 0.919 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993745 1190144791 /nfs/dbraw/zinc/14/47/91/1190144791.db2.gz AWTPWPSZPFJSSI-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993745 1190144794 /nfs/dbraw/zinc/14/47/94/1190144794.db2.gz AWTPWPSZPFJSSI-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087993745 1190144799 /nfs/dbraw/zinc/14/47/99/1190144799.db2.gz AWTPWPSZPFJSSI-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088021371 1190240658 /nfs/dbraw/zinc/24/06/58/1190240658.db2.gz IHJJMVOEFPUCRI-VKJFTORMSA-N 2 1 367.453 0.925 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088042898 1190301576 /nfs/dbraw/zinc/30/15/76/1190301576.db2.gz NQYORXLRBRDWMA-IXDOHACOSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088042898 1190301581 /nfs/dbraw/zinc/30/15/81/1190301581.db2.gz NQYORXLRBRDWMA-IXDOHACOSA-N 2 1 369.473 0.751 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053209 1190319187 /nfs/dbraw/zinc/31/91/87/1190319187.db2.gz YWZSZLVTWOCAGI-AOIWGVFYSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081814 1190466956 /nfs/dbraw/zinc/46/69/56/1190466956.db2.gz GGSWDUWYJTXQCK-FJIDUMEYSA-N 2 1 360.506 0.789 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CC[NH+]1C ZINC001088081814 1190466962 /nfs/dbraw/zinc/46/69/62/1190466962.db2.gz GGSWDUWYJTXQCK-FJIDUMEYSA-N 2 1 360.506 0.789 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC[NH+]1C ZINC001088081814 1190466966 /nfs/dbraw/zinc/46/69/66/1190466966.db2.gz GGSWDUWYJTXQCK-FJIDUMEYSA-N 2 1 360.506 0.789 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)nn1 ZINC001088107200 1190594878 /nfs/dbraw/zinc/59/48/78/1190594878.db2.gz LYJMFHRRSZVBFB-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)nn1 ZINC001088107200 1190594884 /nfs/dbraw/zinc/59/48/84/1190594884.db2.gz LYJMFHRRSZVBFB-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@@H]3C2)nn1 ZINC001088107200 1190594895 /nfs/dbraw/zinc/59/48/95/1190594895.db2.gz LYJMFHRRSZVBFB-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@@H]3C2)nn1 ZINC001088107200 1190594906 /nfs/dbraw/zinc/59/49/06/1190594906.db2.gz LYJMFHRRSZVBFB-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876639 1190796300 /nfs/dbraw/zinc/79/63/00/1190796300.db2.gz UNQLPRJWJGAGHI-XYJFISCASA-N 2 1 360.506 0.826 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876639 1190796305 /nfs/dbraw/zinc/79/63/05/1190796305.db2.gz UNQLPRJWJGAGHI-XYJFISCASA-N 2 1 360.506 0.826 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876639 1190796310 /nfs/dbraw/zinc/79/63/10/1190796310.db2.gz UNQLPRJWJGAGHI-XYJFISCASA-N 2 1 360.506 0.826 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001075876639 1190796313 /nfs/dbraw/zinc/79/63/13/1190796313.db2.gz UNQLPRJWJGAGHI-XYJFISCASA-N 2 1 360.506 0.826 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@H]2C1 ZINC000986402920 1190973954 /nfs/dbraw/zinc/97/39/54/1190973954.db2.gz HCHXZQKHDZQEAZ-CVEARBPZSA-N 2 1 370.457 0.854 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425238 1190987156 /nfs/dbraw/zinc/98/71/56/1190987156.db2.gz OVIOXJGAQAAITL-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1 ZINC000986682797 1191085640 /nfs/dbraw/zinc/08/56/40/1191085640.db2.gz IGGMRZLHRBOFHS-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@H]1CN(CCNC(=O)N2CCC(CCN3CCOCC3)CC2)CCO1 ZINC000729604981 1191119509 /nfs/dbraw/zinc/11/95/09/1191119509.db2.gz DNBMSYWWFKZGDK-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC000988190198 1191157564 /nfs/dbraw/zinc/15/75/64/1191157564.db2.gz MHIYUFIYFWWLRN-COXVUDFISA-N 2 1 359.474 0.639 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217914960 1224132025 /nfs/dbraw/zinc/13/20/25/1224132025.db2.gz GQGWXIMXEOJAEQ-CEXWTWQISA-N 2 1 365.518 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217914960 1224132026 /nfs/dbraw/zinc/13/20/26/1224132026.db2.gz GQGWXIMXEOJAEQ-CEXWTWQISA-N 2 1 365.518 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088572009 1191207674 /nfs/dbraw/zinc/20/76/74/1191207674.db2.gz UYSLEZUFPQVMMA-BVGQSLNGSA-N 2 1 360.506 0.816 20 0 FCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618904 1191208358 /nfs/dbraw/zinc/20/83/58/1191208358.db2.gz FMJROIADBQTQJD-IRXDYDNUSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618901 1191208685 /nfs/dbraw/zinc/20/86/85/1191208685.db2.gz FMJROIADBQTQJD-IAGOWNOFSA-N 2 1 366.506 0.794 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nc(C)[nH]c4C3)[C@H]2C1 ZINC001218196690 1224146540 /nfs/dbraw/zinc/14/65/40/1224146540.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 1 362.474 0.771 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)[C@H]2C1 ZINC001218196690 1224146542 /nfs/dbraw/zinc/14/65/42/1224146542.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 1 362.474 0.771 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)[C@H]2C1 ZINC001218196690 1224146543 /nfs/dbraw/zinc/14/65/43/1224146543.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 1 362.474 0.771 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000550653259 1193725338 /nfs/dbraw/zinc/72/53/38/1193725338.db2.gz IJEBJBJVQURMOT-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000550653259 1193725342 /nfs/dbraw/zinc/72/53/42/1193725342.db2.gz IJEBJBJVQURMOT-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000550653259 1193725345 /nfs/dbraw/zinc/72/53/45/1193725345.db2.gz IJEBJBJVQURMOT-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550899669 1193819145 /nfs/dbraw/zinc/81/91/45/1193819145.db2.gz XOYQRVLJFVHTNA-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000550901430 1193819274 /nfs/dbraw/zinc/81/92/74/1193819274.db2.gz HTVKGXUIDQZOTL-DOTOQJQBSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466551 1193820047 /nfs/dbraw/zinc/82/00/47/1193820047.db2.gz ZKGVVGYLLDEDAK-QRQLOZEOSA-N 2 1 361.461 0.871 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466551 1193820049 /nfs/dbraw/zinc/82/00/49/1193820049.db2.gz ZKGVVGYLLDEDAK-QRQLOZEOSA-N 2 1 361.461 0.871 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000551022822 1193827872 /nfs/dbraw/zinc/82/78/72/1193827872.db2.gz IJPLWQONQBXCID-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218557506 1224172607 /nfs/dbraw/zinc/17/26/07/1224172607.db2.gz APUACDHGLSSUMF-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218557506 1224172611 /nfs/dbraw/zinc/17/26/11/1224172611.db2.gz APUACDHGLSSUMF-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551163988 1193837942 /nfs/dbraw/zinc/83/79/42/1193837942.db2.gz IZUMUIQULGPSTG-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551163988 1193837945 /nfs/dbraw/zinc/83/79/45/1193837945.db2.gz IZUMUIQULGPSTG-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000551163988 1193837948 /nfs/dbraw/zinc/83/79/48/1193837948.db2.gz IZUMUIQULGPSTG-KRWDZBQOSA-N 2 1 367.538 0.121 20 0 FCADMP CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)C[NH2+]CCC[NH3+] ZINC001218550112 1224171983 /nfs/dbraw/zinc/17/19/83/1224171983.db2.gz XJILFMLCKLLGAR-UHFFFAOYSA-N 2 1 359.430 0.985 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655364 1193859734 /nfs/dbraw/zinc/85/97/34/1193859734.db2.gz HUNCOJLYUYGYOD-CIWUYKSXSA-N 2 1 369.550 0.923 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551485630 1193860624 /nfs/dbraw/zinc/86/06/24/1193860624.db2.gz XOWJHISHWSLXSK-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551485630 1193860626 /nfs/dbraw/zinc/86/06/26/1193860626.db2.gz XOWJHISHWSLXSK-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083469583 1193864274 /nfs/dbraw/zinc/86/42/74/1193864274.db2.gz ZDPOLGZDAOWWEJ-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCN1CCNC1=O ZINC001088748413 1193882827 /nfs/dbraw/zinc/88/28/27/1193882827.db2.gz DKKCYAGPKCQUGQ-CJNGLKHVSA-N 2 1 356.430 0.552 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cn2cnc3c2CCCC3)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088751811 1193885193 /nfs/dbraw/zinc/88/51/93/1193885193.db2.gz GYCFLJVMTXQVRW-CABCVRRESA-N 2 1 359.474 0.573 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)ncn2)CC1 ZINC001218571928 1224175280 /nfs/dbraw/zinc/17/52/80/1224175280.db2.gz CSNGEPDOOXOLAG-BEFAXECRSA-N 2 1 374.489 0.716 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3CCOC4)C[C@@H]2O)CC[N@H+]1C ZINC001083473042 1193901582 /nfs/dbraw/zinc/90/15/82/1193901582.db2.gz FHNKVXOQQFCURK-JRJVTICQSA-N 2 1 373.497 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)CC[NH+]1C ZINC001083473042 1193901588 /nfs/dbraw/zinc/90/15/88/1193901588.db2.gz FHNKVXOQQFCURK-JRJVTICQSA-N 2 1 373.497 0.761 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@@H]2O)CC[NH+]1C ZINC001083473042 1193901592 /nfs/dbraw/zinc/90/15/92/1193901592.db2.gz FHNKVXOQQFCURK-JRJVTICQSA-N 2 1 373.497 0.761 20 0 FCADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000552291895 1193918476 /nfs/dbraw/zinc/91/84/76/1193918476.db2.gz NQXSRRKOPNXORH-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP O=C(CN1C[C@@H]2CCN(C(=O)c3ccn4cncc4c3)[C@@H]2C1)N1CCC1 ZINC001075993403 1193929782 /nfs/dbraw/zinc/92/97/82/1193929782.db2.gz SVGJISZXHXYDFD-DOTOQJQBSA-N 2 1 353.426 0.713 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@@H]21 ZINC001218582844 1224178010 /nfs/dbraw/zinc/17/80/10/1224178010.db2.gz VHXWHJWPQYHHRQ-RCCFBDPRSA-N 2 1 365.449 0.722 20 0 FCADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@@H]21 ZINC001218582844 1224178013 /nfs/dbraw/zinc/17/80/13/1224178013.db2.gz VHXWHJWPQYHHRQ-RCCFBDPRSA-N 2 1 365.449 0.722 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667315 1193930492 /nfs/dbraw/zinc/93/04/92/1193930492.db2.gz QIWWYKBDJBOOEE-VVWQDTPRSA-N 2 1 368.522 0.040 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000552512763 1193936236 /nfs/dbraw/zinc/93/62/36/1193936236.db2.gz UVTKEJJTOQHBQW-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552708193 1193948666 /nfs/dbraw/zinc/94/86/66/1193948666.db2.gz WUFXZDNGALJIBR-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000552708193 1193948670 /nfs/dbraw/zinc/94/86/70/1193948670.db2.gz WUFXZDNGALJIBR-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553506914 1194004290 /nfs/dbraw/zinc/00/42/90/1194004290.db2.gz QXZMMZAYISTCAV-HNNXBMFYSA-N 2 1 365.526 0.284 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000553506914 1194004292 /nfs/dbraw/zinc/00/42/92/1194004292.db2.gz QXZMMZAYISTCAV-HNNXBMFYSA-N 2 1 365.526 0.284 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC000553850484 1194022056 /nfs/dbraw/zinc/02/20/56/1194022056.db2.gz JEKSVAUKTAOFRU-NQKNOSNGSA-N 2 1 372.469 0.734 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC000553850484 1194022060 /nfs/dbraw/zinc/02/20/60/1194022060.db2.gz JEKSVAUKTAOFRU-NQKNOSNGSA-N 2 1 372.469 0.734 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188594 1194084856 /nfs/dbraw/zinc/08/48/56/1194084856.db2.gz ITHGTTBANBYRAT-XLIONFOSSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191464 1194086100 /nfs/dbraw/zinc/08/61/00/1194086100.db2.gz XYTKZJBIMYEIBH-FXAWDEMLSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842187761 1194086375 /nfs/dbraw/zinc/08/63/75/1194086375.db2.gz ADGVSRCQXZJALO-FXAWDEMLSA-N 2 1 374.485 0.201 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228727 1194108002 /nfs/dbraw/zinc/10/80/02/1194108002.db2.gz AUHAACCUCYCYCT-SFHVURJKSA-N 2 1 360.502 0.898 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228895 1194108463 /nfs/dbraw/zinc/10/84/63/1194108463.db2.gz CDKDGWRPSWFWQX-MSOLQXFVSA-N 2 1 358.486 0.747 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@H]21 ZINC000842230191 1194110124 /nfs/dbraw/zinc/11/01/24/1194110124.db2.gz WMCKKQKTEVNMMV-QZTJIDSGSA-N 2 1 358.486 0.747 20 0 FCADMP Cc1noc(C[C@@H]2CCC[N@@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247749 1194125839 /nfs/dbraw/zinc/12/58/39/1194125839.db2.gz RGBAOYFZALTZMM-LSDHHAIUSA-N 2 1 363.462 0.712 20 0 FCADMP Cc1noc(C[C@@H]2CCC[N@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C2)n1 ZINC000899247749 1194125841 /nfs/dbraw/zinc/12/58/41/1194125841.db2.gz RGBAOYFZALTZMM-LSDHHAIUSA-N 2 1 363.462 0.712 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524031 1194154932 /nfs/dbraw/zinc/15/49/32/1194154932.db2.gz DVNLJRUDUFKLHR-KSZLIROESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524031 1194154935 /nfs/dbraw/zinc/15/49/35/1194154935.db2.gz DVNLJRUDUFKLHR-KSZLIROESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083524031 1194154938 /nfs/dbraw/zinc/15/49/38/1194154938.db2.gz DVNLJRUDUFKLHR-KSZLIROESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524854 1194156911 /nfs/dbraw/zinc/15/69/11/1194156911.db2.gz NHOLQPAVKPQESO-BBWFWOEESA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524854 1194156914 /nfs/dbraw/zinc/15/69/14/1194156914.db2.gz NHOLQPAVKPQESO-BBWFWOEESA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524854 1194156918 /nfs/dbraw/zinc/15/69/18/1194156918.db2.gz NHOLQPAVKPQESO-BBWFWOEESA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083524854 1194156921 /nfs/dbraw/zinc/15/69/21/1194156921.db2.gz NHOLQPAVKPQESO-BBWFWOEESA-N 2 1 366.506 0.033 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076053199 1194270237 /nfs/dbraw/zinc/27/02/37/1194270237.db2.gz UIGIWOZKRSCTDY-BMGDILEWSA-N 2 1 371.485 0.573 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076053199 1194270240 /nfs/dbraw/zinc/27/02/40/1194270240.db2.gz UIGIWOZKRSCTDY-BMGDILEWSA-N 2 1 371.485 0.573 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076107498 1194308770 /nfs/dbraw/zinc/30/87/70/1194308770.db2.gz ZDTQLFIPHRENRS-ARFHVFGLSA-N 2 1 355.446 0.585 20 0 FCADMP CCNC(=O)CN1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001276794210 1224207593 /nfs/dbraw/zinc/20/75/93/1224207593.db2.gz DTYWVYUZWPNHLM-OAHLLOKOSA-N 2 1 368.522 0.186 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161098 1194335781 /nfs/dbraw/zinc/33/57/81/1194335781.db2.gz GMNUOYRAOIDTQC-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161098 1194335785 /nfs/dbraw/zinc/33/57/85/1194335785.db2.gz GMNUOYRAOIDTQC-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161098 1194335789 /nfs/dbraw/zinc/33/57/89/1194335789.db2.gz GMNUOYRAOIDTQC-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001076161098 1194335793 /nfs/dbraw/zinc/33/57/93/1194335793.db2.gz GMNUOYRAOIDTQC-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239956 1194362767 /nfs/dbraw/zinc/36/27/67/1194362767.db2.gz DWLXBPVGVPIXSL-RYQLBKOJSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239956 1194362772 /nfs/dbraw/zinc/36/27/72/1194362772.db2.gz DWLXBPVGVPIXSL-RYQLBKOJSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239956 1194362777 /nfs/dbraw/zinc/36/27/77/1194362777.db2.gz DWLXBPVGVPIXSL-RYQLBKOJSA-N 2 1 358.486 0.902 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246748 1194365799 /nfs/dbraw/zinc/36/57/99/1194365799.db2.gz IFRGHUSAZPJJHB-YQQAZPJKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246748 1194365805 /nfs/dbraw/zinc/36/58/05/1194365805.db2.gz IFRGHUSAZPJJHB-YQQAZPJKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246748 1194365812 /nfs/dbraw/zinc/36/58/12/1194365812.db2.gz IFRGHUSAZPJJHB-YQQAZPJKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246748 1194365817 /nfs/dbraw/zinc/36/58/17/1194365817.db2.gz IFRGHUSAZPJJHB-YQQAZPJKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242827 1194369721 /nfs/dbraw/zinc/36/97/21/1194369721.db2.gz SWAVWFDPZHNLJZ-RYQLBKOJSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242827 1194369726 /nfs/dbraw/zinc/36/97/26/1194369726.db2.gz SWAVWFDPZHNLJZ-RYQLBKOJSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242827 1194369730 /nfs/dbraw/zinc/36/97/30/1194369730.db2.gz SWAVWFDPZHNLJZ-RYQLBKOJSA-N 2 1 358.486 0.760 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001218758308 1224214727 /nfs/dbraw/zinc/21/47/27/1224214727.db2.gz QHMCMEQKTVTQQB-DLBZAZTESA-N 2 1 365.478 0.006 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001218758308 1224214734 /nfs/dbraw/zinc/21/47/34/1224214734.db2.gz QHMCMEQKTVTQQB-DLBZAZTESA-N 2 1 365.478 0.006 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365904 1194422538 /nfs/dbraw/zinc/42/25/38/1194422538.db2.gz SJEPBCJFCKDKFJ-FUHWJXTLSA-N 2 1 361.490 0.218 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365904 1194422541 /nfs/dbraw/zinc/42/25/41/1194422541.db2.gz SJEPBCJFCKDKFJ-FUHWJXTLSA-N 2 1 361.490 0.218 20 0 FCADMP COC(=O)c1cc(-c2ccn(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)c(=N)c2N)ccc1C ZINC001218771838 1224216596 /nfs/dbraw/zinc/21/65/96/1224216596.db2.gz WTPBUTAMKAAWAF-WFASDCNBSA-N 2 1 369.425 0.641 20 0 FCADMP COCCOCN1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001276795362 1224219630 /nfs/dbraw/zinc/21/96/30/1224219630.db2.gz ZINKIXBRIABNKT-MRXNPFEDSA-N 2 1 371.522 0.670 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001218789916 1224221043 /nfs/dbraw/zinc/22/10/43/1224221043.db2.gz WCNDDGWBPCHISG-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001218789916 1224221056 /nfs/dbraw/zinc/22/10/56/1224221056.db2.gz WCNDDGWBPCHISG-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462239 1194506538 /nfs/dbraw/zinc/50/65/38/1194506538.db2.gz NHABAKCMADSDCP-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462239 1194506545 /nfs/dbraw/zinc/50/65/45/1194506545.db2.gz NHABAKCMADSDCP-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462239 1194506555 /nfs/dbraw/zinc/50/65/55/1194506555.db2.gz NHABAKCMADSDCP-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462239 1194506561 /nfs/dbraw/zinc/50/65/61/1194506561.db2.gz NHABAKCMADSDCP-HLLBOEOZSA-N 2 1 359.474 0.860 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276795547 1224221588 /nfs/dbraw/zinc/22/15/88/1224221588.db2.gz LYWKMYKXPVNPHY-DNVCBOLYSA-N 2 1 368.522 0.138 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789343 1224221682 /nfs/dbraw/zinc/22/16/82/1224221682.db2.gz IFZCIVGEZDGGAA-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789343 1224221690 /nfs/dbraw/zinc/22/16/90/1224221690.db2.gz IFZCIVGEZDGGAA-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504679 1194529688 /nfs/dbraw/zinc/52/96/88/1194529688.db2.gz LWTKUHDBHUGGBM-USXIJHARSA-N 2 1 359.474 0.803 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001076568988 1194574423 /nfs/dbraw/zinc/57/44/23/1194574423.db2.gz FUTRKPNOBGXVOB-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)CC1 ZINC001076568988 1194574426 /nfs/dbraw/zinc/57/44/26/1194574426.db2.gz FUTRKPNOBGXVOB-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CC1 ZINC001076568988 1194574429 /nfs/dbraw/zinc/57/44/29/1194574429.db2.gz FUTRKPNOBGXVOB-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CCN(C(=O)C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001076568988 1194574432 /nfs/dbraw/zinc/57/44/32/1194574432.db2.gz FUTRKPNOBGXVOB-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567736 1194574689 /nfs/dbraw/zinc/57/46/89/1194574689.db2.gz HBDLYPLASRGNBF-OKZBNKHCSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567736 1194574693 /nfs/dbraw/zinc/57/46/93/1194574693.db2.gz HBDLYPLASRGNBF-OKZBNKHCSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C(N)=O)c4)C[C@H]32)C1 ZINC001076567736 1194574696 /nfs/dbraw/zinc/57/46/96/1194574696.db2.gz HBDLYPLASRGNBF-OKZBNKHCSA-N 2 1 356.470 0.770 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001218819897 1224231545 /nfs/dbraw/zinc/23/15/45/1224231545.db2.gz QVKCKBWTDPZOHH-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]21 ZINC001218819897 1224231554 /nfs/dbraw/zinc/23/15/54/1224231554.db2.gz QVKCKBWTDPZOHH-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218881075 1224246723 /nfs/dbraw/zinc/24/67/23/1224246723.db2.gz PXALZLLCGFNVHC-OKZBNKHCSA-N 2 1 369.506 0.026 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)COC(C)(C)C)C2)C1=O ZINC001276798160 1224248837 /nfs/dbraw/zinc/24/88/37/1224248837.db2.gz BBRJVZPYZTXYHU-HNAYVOBHSA-N 2 1 369.506 0.565 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]21 ZINC001218905751 1224252290 /nfs/dbraw/zinc/25/22/90/1224252290.db2.gz XYNIMRMUZWVTKO-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]21 ZINC001218905751 1224252302 /nfs/dbraw/zinc/25/23/02/1224252302.db2.gz XYNIMRMUZWVTKO-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]21 ZINC001218905751 1224252313 /nfs/dbraw/zinc/25/23/13/1224252313.db2.gz XYNIMRMUZWVTKO-FGTMMUONSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979314 1195100365 /nfs/dbraw/zinc/10/03/65/1195100365.db2.gz BTDZERKIHQKSJE-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979314 1195100372 /nfs/dbraw/zinc/10/03/72/1195100372.db2.gz BTDZERKIHQKSJE-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979314 1195100387 /nfs/dbraw/zinc/10/03/87/1195100387.db2.gz BTDZERKIHQKSJE-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001076979314 1195100396 /nfs/dbraw/zinc/10/03/96/1195100396.db2.gz BTDZERKIHQKSJE-BRWVUGGUSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077004276 1195140176 /nfs/dbraw/zinc/14/01/76/1195140176.db2.gz WQVUVEYAJFIRIH-GUDVDZBRSA-N 2 1 359.470 0.569 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077004276 1195140189 /nfs/dbraw/zinc/14/01/89/1195140189.db2.gz WQVUVEYAJFIRIH-GUDVDZBRSA-N 2 1 359.470 0.569 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091273 1195208235 /nfs/dbraw/zinc/20/82/35/1195208235.db2.gz TUTYHHWBTKYGOD-CEXWTWQISA-N 2 1 361.486 0.715 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091273 1195208244 /nfs/dbraw/zinc/20/82/44/1195208244.db2.gz TUTYHHWBTKYGOD-CEXWTWQISA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091273 1195208249 /nfs/dbraw/zinc/20/82/49/1195208249.db2.gz TUTYHHWBTKYGOD-CEXWTWQISA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091273 1195208257 /nfs/dbraw/zinc/20/82/57/1195208257.db2.gz TUTYHHWBTKYGOD-CEXWTWQISA-N 2 1 361.486 0.715 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275894 1195376849 /nfs/dbraw/zinc/37/68/49/1195376849.db2.gz BDHOJAWRDMLYFI-IAGOWNOFSA-N 2 1 354.414 0.314 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275894 1195376853 /nfs/dbraw/zinc/37/68/53/1195376853.db2.gz BDHOJAWRDMLYFI-IAGOWNOFSA-N 2 1 354.414 0.314 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077298960 1195394646 /nfs/dbraw/zinc/39/46/46/1195394646.db2.gz LYJOVYGICYZRIB-QZTJIDSGSA-N 2 1 359.470 0.855 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077298960 1195394650 /nfs/dbraw/zinc/39/46/50/1195394650.db2.gz LYJOVYGICYZRIB-QZTJIDSGSA-N 2 1 359.470 0.855 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)OC ZINC001077366337 1195466376 /nfs/dbraw/zinc/46/63/76/1195466376.db2.gz BYMMALRMWGDHQT-DJIMGWMZSA-N 2 1 359.430 0.467 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001077395771 1195493063 /nfs/dbraw/zinc/49/30/63/1195493063.db2.gz CDHJJOHOMLKTBA-HZPDHXFCSA-N 2 1 370.413 0.433 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001077395771 1195493074 /nfs/dbraw/zinc/49/30/74/1195493074.db2.gz CDHJJOHOMLKTBA-HZPDHXFCSA-N 2 1 370.413 0.433 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001077396308 1195495946 /nfs/dbraw/zinc/49/59/46/1195495946.db2.gz ZKTMQRRIQKLTAA-QZTJIDSGSA-N 2 1 368.441 0.623 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001077396308 1195495950 /nfs/dbraw/zinc/49/59/50/1195495950.db2.gz ZKTMQRRIQKLTAA-QZTJIDSGSA-N 2 1 368.441 0.623 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077399447 1195499827 /nfs/dbraw/zinc/49/98/27/1195499827.db2.gz KDGBKSJYSYUJOB-YXJHDRRASA-N 2 1 362.474 0.492 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077399447 1195499832 /nfs/dbraw/zinc/49/98/32/1195499832.db2.gz KDGBKSJYSYUJOB-YXJHDRRASA-N 2 1 362.474 0.492 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417803 1195516740 /nfs/dbraw/zinc/51/67/40/1195516740.db2.gz AVANFNWAYHQMCJ-KJBWJIBOSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417803 1195516747 /nfs/dbraw/zinc/51/67/47/1195516747.db2.gz AVANFNWAYHQMCJ-KJBWJIBOSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)cc1 ZINC001077417803 1195516755 /nfs/dbraw/zinc/51/67/55/1195516755.db2.gz AVANFNWAYHQMCJ-KJBWJIBOSA-N 2 1 371.481 0.520 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)c2)CCO1 ZINC000905062319 1195574425 /nfs/dbraw/zinc/57/44/25/1195574425.db2.gz WLUROLCOJCYQDD-UXPWSPDFSA-N 2 1 364.486 0.899 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)c2)CCO1 ZINC000905062319 1195574427 /nfs/dbraw/zinc/57/44/27/1195574427.db2.gz WLUROLCOJCYQDD-UXPWSPDFSA-N 2 1 364.486 0.899 20 0 FCADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905363210 1195584181 /nfs/dbraw/zinc/58/41/81/1195584181.db2.gz XFIAGBCXGMOSRF-YRPNKDGESA-N 2 1 364.486 0.361 20 0 FCADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905363210 1195584186 /nfs/dbraw/zinc/58/41/86/1195584186.db2.gz XFIAGBCXGMOSRF-YRPNKDGESA-N 2 1 364.486 0.361 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000905398140 1195584630 /nfs/dbraw/zinc/58/46/30/1195584630.db2.gz BRTUIQXRTUNFKF-UHFFFAOYSA-N 2 1 373.545 0.414 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033392 1224305445 /nfs/dbraw/zinc/30/54/45/1224305445.db2.gz INBYQXXVVKIRSZ-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033392 1224305450 /nfs/dbraw/zinc/30/54/50/1224305450.db2.gz INBYQXXVVKIRSZ-FGTMMUONSA-N 2 1 369.506 0.293 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC1 ZINC000910842369 1195849358 /nfs/dbraw/zinc/84/93/58/1195849358.db2.gz ATUPXNXOQMMFTP-UHFFFAOYSA-N 2 1 359.474 0.719 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000910876493 1195855341 /nfs/dbraw/zinc/85/53/41/1195855341.db2.gz WNTXSBMKBREKKU-UHFFFAOYSA-N 2 1 365.522 1.000 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000910991508 1195874411 /nfs/dbraw/zinc/87/44/11/1195874411.db2.gz GXZGVZNRQVRCAE-CGTJXYLNSA-N 2 1 374.485 0.200 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000911078827 1195886860 /nfs/dbraw/zinc/88/68/60/1195886860.db2.gz TUCVNVRTAALECK-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000911092759 1195887909 /nfs/dbraw/zinc/88/79/09/1195887909.db2.gz VCMHPHKJYPZXFQ-RTBURBONSA-N 2 1 372.513 0.865 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911186612 1195904311 /nfs/dbraw/zinc/90/43/11/1195904311.db2.gz NXWBIHJWIUIYOZ-QGZVFWFLSA-N 2 1 367.538 0.169 20 0 FCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1 ZINC001083644668 1195933276 /nfs/dbraw/zinc/93/32/76/1195933276.db2.gz QJCAGTVBWIRKQO-BBWFWOEESA-N 2 1 358.442 0.924 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)cc1 ZINC000911358566 1195941229 /nfs/dbraw/zinc/94/12/29/1195941229.db2.gz OXBBQQWVTKTSAH-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1=O ZINC000911840508 1196314209 /nfs/dbraw/zinc/31/42/09/1196314209.db2.gz XTPJZUDSORMSGJ-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000912401976 1196346700 /nfs/dbraw/zinc/34/67/00/1196346700.db2.gz JBWSXFKIJPVMLU-UHFFFAOYSA-N 2 1 359.518 0.903 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654260 1196347601 /nfs/dbraw/zinc/34/76/01/1196347601.db2.gz FFYFCWKXOSFZLV-PBIMCDDKSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654260 1196347604 /nfs/dbraw/zinc/34/76/04/1196347604.db2.gz FFYFCWKXOSFZLV-PBIMCDDKSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654260 1196347608 /nfs/dbraw/zinc/34/76/08/1196347608.db2.gz FFYFCWKXOSFZLV-PBIMCDDKSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654261 1196347767 /nfs/dbraw/zinc/34/77/67/1196347767.db2.gz FFYFCWKXOSFZLV-QGRXYFRJSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654261 1196347772 /nfs/dbraw/zinc/34/77/72/1196347772.db2.gz FFYFCWKXOSFZLV-QGRXYFRJSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2=CCCCC2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654261 1196347777 /nfs/dbraw/zinc/34/77/77/1196347777.db2.gz FFYFCWKXOSFZLV-QGRXYFRJSA-N 2 1 361.486 0.511 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654853 1196351191 /nfs/dbraw/zinc/35/11/91/1196351191.db2.gz JMCCFIMTVRTZBB-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654853 1196351198 /nfs/dbraw/zinc/35/11/98/1196351198.db2.gz JMCCFIMTVRTZBB-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCC2CCC2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654853 1196351204 /nfs/dbraw/zinc/35/12/04/1196351204.db2.gz JMCCFIMTVRTZBB-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001077444403 1196411646 /nfs/dbraw/zinc/41/16/46/1196411646.db2.gz WMUOVTUTEDXEGZ-BHIYHBOVSA-N 2 1 363.502 0.991 20 0 FCADMP O=C([C@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](CC3CC3)CC2)O1)N1CCOCC1 ZINC001168378457 1196471226 /nfs/dbraw/zinc/47/12/26/1196471226.db2.gz VNURRXPNMUAKRG-GUDVDZBRSA-N 2 1 363.502 0.951 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592560406 1196569438 /nfs/dbraw/zinc/56/94/38/1196569438.db2.gz NHENSYYKDJHGBW-DLBZAZTESA-N 2 1 374.533 0.961 20 0 FCADMP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000592964544 1196597032 /nfs/dbraw/zinc/59/70/32/1196597032.db2.gz RHFIGBPGPAWEJA-SJORKVTESA-N 2 1 360.458 0.657 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974200 1196762240 /nfs/dbraw/zinc/76/22/40/1196762240.db2.gz QILMIKVHUVCPON-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974200 1196762246 /nfs/dbraw/zinc/76/22/46/1196762246.db2.gz QILMIKVHUVCPON-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)CCC1 ZINC000992688430 1197300470 /nfs/dbraw/zinc/30/04/70/1197300470.db2.gz LXRVMLFRFWZDGP-TXPKVOOTSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689459 1197305677 /nfs/dbraw/zinc/30/56/77/1197305677.db2.gz QUXTTXRHEIWOMN-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689459 1197305679 /nfs/dbraw/zinc/30/56/79/1197305679.db2.gz QUXTTXRHEIWOMN-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1)C1CCC1 ZINC000992689459 1197305685 /nfs/dbraw/zinc/30/56/85/1197305685.db2.gz QUXTTXRHEIWOMN-MDYRTPRTSA-N 2 1 362.518 0.872 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001219262272 1224406863 /nfs/dbraw/zinc/40/68/63/1224406863.db2.gz RFLMKQGAFBOFDC-IBGZPJMESA-N 2 1 373.457 0.871 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719733 1197652273 /nfs/dbraw/zinc/65/22/73/1197652273.db2.gz SQYSJQMPGHUHCG-NXHRZFHOSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719733 1197652286 /nfs/dbraw/zinc/65/22/86/1197652286.db2.gz SQYSJQMPGHUHCG-NXHRZFHOSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719733 1197652298 /nfs/dbraw/zinc/65/22/98/1197652298.db2.gz SQYSJQMPGHUHCG-NXHRZFHOSA-N 2 1 363.506 0.512 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]2O)C1 ZINC001083719733 1197652304 /nfs/dbraw/zinc/65/23/04/1197652304.db2.gz SQYSJQMPGHUHCG-NXHRZFHOSA-N 2 1 363.506 0.512 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001085231955 1197721216 /nfs/dbraw/zinc/72/12/16/1197721216.db2.gz CMYOFLGXXWEZQT-KBUPBQIOSA-N 2 1 360.462 0.555 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1C ZINC001085242886 1197740725 /nfs/dbraw/zinc/74/07/25/1197740725.db2.gz LATCFGHCBAJSPB-VDHUWJSZSA-N 2 1 363.506 0.965 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1C ZINC001085242886 1197740739 /nfs/dbraw/zinc/74/07/39/1197740739.db2.gz LATCFGHCBAJSPB-VDHUWJSZSA-N 2 1 363.506 0.965 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723338 1197748978 /nfs/dbraw/zinc/74/89/78/1197748978.db2.gz GAKAYJPJBKYATO-QYZOEREBSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723338 1197748992 /nfs/dbraw/zinc/74/89/92/1197748992.db2.gz GAKAYJPJBKYATO-QYZOEREBSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723338 1197749004 /nfs/dbraw/zinc/74/90/04/1197749004.db2.gz GAKAYJPJBKYATO-QYZOEREBSA-N 2 1 361.486 0.500 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)C1 ZINC001083723338 1197749012 /nfs/dbraw/zinc/74/90/12/1197749012.db2.gz GAKAYJPJBKYATO-QYZOEREBSA-N 2 1 361.486 0.500 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)ccc2c[nH+]cn21 ZINC001085253164 1197753546 /nfs/dbraw/zinc/75/35/46/1197753546.db2.gz ABGMGYXXLRFLDW-HZPDHXFCSA-N 2 1 368.445 0.997 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NCCNc2cccc(C)[nH+]2)[nH+]1 ZINC000734513878 1197782650 /nfs/dbraw/zinc/78/26/50/1197782650.db2.gz YMHASVCYANBLJX-UHFFFAOYSA-N 2 1 356.430 0.850 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085275193 1197783518 /nfs/dbraw/zinc/78/35/18/1197783518.db2.gz UCADIPQLCWWXBC-HZPDHXFCSA-N 2 1 363.462 0.067 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249204 1197783901 /nfs/dbraw/zinc/78/39/01/1197783901.db2.gz CGBUESNABAAWQX-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279428 1197787274 /nfs/dbraw/zinc/78/72/74/1197787274.db2.gz JEZFIFIOTGRJPA-ARLDDLHVSA-N 2 1 371.485 0.857 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279428 1197787282 /nfs/dbraw/zinc/78/72/82/1197787282.db2.gz JEZFIFIOTGRJPA-ARLDDLHVSA-N 2 1 371.485 0.857 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273317012 1197798226 /nfs/dbraw/zinc/79/82/26/1197798226.db2.gz ULVKLFYSOVLEJP-JKSUJKDBSA-N 2 1 364.490 0.051 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001085332219 1197825340 /nfs/dbraw/zinc/82/53/40/1197825340.db2.gz PEIYWUYCLMLWAK-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001085332219 1197825341 /nfs/dbraw/zinc/82/53/41/1197825341.db2.gz PEIYWUYCLMLWAK-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1)C(N)=O ZINC001085334312 1197827804 /nfs/dbraw/zinc/82/78/04/1197827804.db2.gz FINCNKXQPUOHJN-NWANDNLSSA-N 2 1 363.462 0.775 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106309959 1197861471 /nfs/dbraw/zinc/86/14/71/1197861471.db2.gz JAOKMPZONMQXFV-JOCBIADPSA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001106309959 1197861473 /nfs/dbraw/zinc/86/14/73/1197861473.db2.gz JAOKMPZONMQXFV-JOCBIADPSA-N 2 1 363.506 0.366 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001085394172 1197862252 /nfs/dbraw/zinc/86/22/52/1197862252.db2.gz XTPGREFHUHPXPN-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085394172 1197862255 /nfs/dbraw/zinc/86/22/55/1197862255.db2.gz XTPGREFHUHPXPN-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF)C12CC[NH+](CC1)C2 ZINC001085394950 1197862946 /nfs/dbraw/zinc/86/29/46/1197862946.db2.gz MZVSQFDVSYZHPQ-HUUCEWRRSA-N 2 1 364.469 0.860 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106352415 1197874507 /nfs/dbraw/zinc/87/45/07/1197874507.db2.gz RUIORBOWXUXSDA-ZIAGYGMSSA-N 2 1 363.462 0.266 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106352518 1197874518 /nfs/dbraw/zinc/87/45/18/1197874518.db2.gz WZTYRZSBGMULGJ-CHWSQXEVSA-N 2 1 363.462 0.313 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000735841987 1197888618 /nfs/dbraw/zinc/88/86/18/1197888618.db2.gz CRCQCOFDXYUXNP-UHFFFAOYSA-N 2 1 353.426 0.927 20 0 FCADMP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453505 1197933017 /nfs/dbraw/zinc/93/30/17/1197933017.db2.gz LWVICUKNWUPFEH-MJQPBPLVSA-N 2 1 365.518 0.959 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCN(Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976129 /nfs/dbraw/zinc/97/61/29/1197976129.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 1 361.490 0.650 20 0 FCADMP CCN(C)CC(=O)N1CCN(Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976135 /nfs/dbraw/zinc/97/61/35/1197976135.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 1 361.490 0.650 20 0 FCADMP CC(C)N1CC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001273383954 1198076464 /nfs/dbraw/zinc/07/64/64/1198076464.db2.gz DQAWBBMAXGEUJE-LPHOPBHVSA-N 2 1 359.474 0.854 20 0 FCADMP COCCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404651 1198137056 /nfs/dbraw/zinc/13/70/56/1198137056.db2.gz RERGRYJKUOZHIZ-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP COCCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404651 1198137063 /nfs/dbraw/zinc/13/70/63/1198137063.db2.gz RERGRYJKUOZHIZ-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP COCCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404651 1198137069 /nfs/dbraw/zinc/13/70/69/1198137069.db2.gz RERGRYJKUOZHIZ-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP COCCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404651 1198137073 /nfs/dbraw/zinc/13/70/73/1198137073.db2.gz RERGRYJKUOZHIZ-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086091699 1198158777 /nfs/dbraw/zinc/15/87/77/1198158777.db2.gz JXUNNHKUUGAKQI-XUWVNRHRSA-N 2 1 363.510 0.798 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086091699 1198158787 /nfs/dbraw/zinc/15/87/87/1198158787.db2.gz JXUNNHKUUGAKQI-XUWVNRHRSA-N 2 1 363.510 0.798 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086120776 1198181170 /nfs/dbraw/zinc/18/11/70/1198181170.db2.gz NKLGFJNEWBLPFD-LUYZLQTOSA-N 2 1 363.462 0.189 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086120776 1198181176 /nfs/dbraw/zinc/18/11/76/1198181176.db2.gz NKLGFJNEWBLPFD-LUYZLQTOSA-N 2 1 363.462 0.189 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001086370718 1198328743 /nfs/dbraw/zinc/32/87/43/1198328743.db2.gz VCLFIAPRVZFTAL-YHUYYLMFSA-N 2 1 363.510 0.969 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001086370718 1198328755 /nfs/dbraw/zinc/32/87/55/1198328755.db2.gz VCLFIAPRVZFTAL-YHUYYLMFSA-N 2 1 363.510 0.969 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400817 1198356707 /nfs/dbraw/zinc/35/67/07/1198356707.db2.gz YMRMXNIRCVBJGD-BASLNEPJSA-N 2 1 364.494 0.098 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400817 1198356714 /nfs/dbraw/zinc/35/67/14/1198356714.db2.gz YMRMXNIRCVBJGD-BASLNEPJSA-N 2 1 364.494 0.098 20 0 FCADMP C[NH+]1CCN(c2ncc(-n3nnc(-c4cccc(C[NH3+])c4)n3)cn2)CC1 ZINC001168884281 1199039503 /nfs/dbraw/zinc/03/95/03/1199039503.db2.gz HQWDELYZISOYCJ-UHFFFAOYSA-N 2 1 351.418 0.330 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134635 1199047675 /nfs/dbraw/zinc/04/76/75/1199047675.db2.gz WASGXXKIXLCEII-ZOVJDJALSA-N 2 1 363.502 0.807 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134635 1199047680 /nfs/dbraw/zinc/04/76/80/1199047680.db2.gz WASGXXKIXLCEII-ZOVJDJALSA-N 2 1 363.502 0.807 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134635 1199047690 /nfs/dbraw/zinc/04/76/90/1199047690.db2.gz WASGXXKIXLCEII-ZOVJDJALSA-N 2 1 363.502 0.807 20 0 FCADMP CC(=O)N1CC[C@@H](N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)C1 ZINC001169548764 1199071750 /nfs/dbraw/zinc/07/17/50/1199071750.db2.gz HQEIZCOWHPIXRD-QGZVFWFLSA-N 2 1 361.490 0.910 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766958590 1199105755 /nfs/dbraw/zinc/10/57/55/1199105755.db2.gz CTKCOOSEIKLNMW-MSOLQXFVSA-N 2 1 363.506 0.909 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129370108 1199128476 /nfs/dbraw/zinc/12/84/76/1199128476.db2.gz NMMJAVYAFYIZJG-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129370108 1199128480 /nfs/dbraw/zinc/12/84/80/1199128480.db2.gz NMMJAVYAFYIZJG-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001129370108 1199128481 /nfs/dbraw/zinc/12/84/81/1199128481.db2.gz NMMJAVYAFYIZJG-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652334 1224546203 /nfs/dbraw/zinc/54/62/03/1224546203.db2.gz SMZPKQAHSNFCRV-JQHSSLGASA-N 2 1 365.522 0.902 20 0 FCADMP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722695 1224577331 /nfs/dbraw/zinc/57/73/31/1224577331.db2.gz DPQKRPHJJFRZNA-ROUUACIJSA-N 3 1 360.502 0.314 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001219724757 1224578402 /nfs/dbraw/zinc/57/84/02/1224578402.db2.gz ZVTFMMGMPLBHOZ-KSZLIROESA-N 2 1 367.465 0.907 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001219724757 1224578405 /nfs/dbraw/zinc/57/84/05/1224578405.db2.gz ZVTFMMGMPLBHOZ-KSZLIROESA-N 2 1 367.465 0.907 20 0 FCADMP [NH3+]C1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CCN(Cc2ccccc2)CC1 ZINC001219736360 1224585093 /nfs/dbraw/zinc/58/50/93/1224585093.db2.gz BSXKWOKAWAATIK-KRWDZBQOSA-N 2 1 358.486 0.475 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410762 1200252026 /nfs/dbraw/zinc/25/20/26/1200252026.db2.gz UAUFORJAWYOKIT-SQNIBIBYSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410762 1200252033 /nfs/dbraw/zinc/25/20/33/1200252033.db2.gz UAUFORJAWYOKIT-SQNIBIBYSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410762 1200252041 /nfs/dbraw/zinc/25/20/41/1200252041.db2.gz UAUFORJAWYOKIT-SQNIBIBYSA-N 2 1 366.506 0.345 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406303 1200252289 /nfs/dbraw/zinc/25/22/89/1200252289.db2.gz VZVCGQNLBDULLI-OWSLCNJRSA-N 2 1 366.506 0.201 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001109464029 1200301746 /nfs/dbraw/zinc/30/17/46/1200301746.db2.gz IFTOVXCZVIBNKZ-NCOADZHNSA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001109464029 1200301755 /nfs/dbraw/zinc/30/17/55/1200301755.db2.gz IFTOVXCZVIBNKZ-NCOADZHNSA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001109464029 1200301760 /nfs/dbraw/zinc/30/17/60/1200301760.db2.gz IFTOVXCZVIBNKZ-NCOADZHNSA-N 2 1 371.522 0.462 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001109643546 1200435550 /nfs/dbraw/zinc/43/55/50/1200435550.db2.gz NKTPNAULMKEBPX-JFMONLCZSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001109643546 1200435554 /nfs/dbraw/zinc/43/55/54/1200435554.db2.gz NKTPNAULMKEBPX-JFMONLCZSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001109643546 1200435558 /nfs/dbraw/zinc/43/55/58/1200435558.db2.gz NKTPNAULMKEBPX-JFMONLCZSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001109643546 1200435561 /nfs/dbraw/zinc/43/55/61/1200435561.db2.gz NKTPNAULMKEBPX-JFMONLCZSA-N 2 1 362.518 0.964 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001109645985 1200436986 /nfs/dbraw/zinc/43/69/86/1200436986.db2.gz BYLQJUQVSHLVPN-LMSBXDPUSA-N 2 1 362.474 0.484 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001109645985 1200436989 /nfs/dbraw/zinc/43/69/89/1200436989.db2.gz BYLQJUQVSHLVPN-LMSBXDPUSA-N 2 1 362.474 0.484 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672478 1200459753 /nfs/dbraw/zinc/45/97/53/1200459753.db2.gz GYAFXNVJLBGDBJ-XGUBFFRZSA-N 2 1 367.494 0.282 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672478 1200459757 /nfs/dbraw/zinc/45/97/57/1200459757.db2.gz GYAFXNVJLBGDBJ-XGUBFFRZSA-N 2 1 367.494 0.282 20 0 FCADMP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001109735663 1200493964 /nfs/dbraw/zinc/49/39/64/1200493964.db2.gz RCIHAPCPZIGHBX-MHORFTMASA-N 2 1 369.506 0.218 20 0 FCADMP COc1ccc([C@@H]([NH3+])CC(=O)NC2CCN(C3CC[NH2+]CC3)CC2)cn1 ZINC001219794197 1224615664 /nfs/dbraw/zinc/61/56/64/1224615664.db2.gz UCLTVPSJWHDUAP-KRWDZBQOSA-N 2 1 361.490 0.813 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799887 1224619023 /nfs/dbraw/zinc/61/90/23/1224619023.db2.gz BGZPSAMFEKPSNY-AEFFLSMTSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799887 1224619031 /nfs/dbraw/zinc/61/90/31/1224619031.db2.gz BGZPSAMFEKPSNY-AEFFLSMTSA-N 2 1 360.502 0.898 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109889973 1200590909 /nfs/dbraw/zinc/59/09/09/1200590909.db2.gz DHUIXPYTIBQBFV-OWSLCNJRSA-N 2 1 371.441 0.610 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109889973 1200590915 /nfs/dbraw/zinc/59/09/15/1200590915.db2.gz DHUIXPYTIBQBFV-OWSLCNJRSA-N 2 1 371.441 0.610 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902541 1200599771 /nfs/dbraw/zinc/59/97/71/1200599771.db2.gz OZZGFDCJLQXQQI-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902541 1200599777 /nfs/dbraw/zinc/59/97/77/1200599777.db2.gz OZZGFDCJLQXQQI-PVAVHDDUSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000771804129 1200651310 /nfs/dbraw/zinc/65/13/10/1200651310.db2.gz BYVCAQFEGMWJEL-HNAYVOBHSA-N 2 1 361.486 0.884 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C(N)=O)cc1 ZINC001109977324 1200660543 /nfs/dbraw/zinc/66/05/43/1200660543.db2.gz DHNWTSMOVGOPPC-SQNIBIBYSA-N 2 1 374.485 0.585 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001109980157 1200664360 /nfs/dbraw/zinc/66/43/60/1200664360.db2.gz KGUBBVZSMTUVGN-UGUYLWEFSA-N 2 1 362.478 0.065 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980782 1200666170 /nfs/dbraw/zinc/66/61/70/1200666170.db2.gz ZZFDPSCEPOQTJY-YVSFHVDLSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980782 1200666178 /nfs/dbraw/zinc/66/61/78/1200666178.db2.gz ZZFDPSCEPOQTJY-YVSFHVDLSA-N 2 1 368.522 0.541 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129393087 1200677668 /nfs/dbraw/zinc/67/76/68/1200677668.db2.gz AMTCAUTUQSFSHX-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219806301 1224625393 /nfs/dbraw/zinc/62/53/93/1224625393.db2.gz QREMQQQYAYNABO-CQSZACIVSA-N 2 1 359.474 0.523 20 0 FCADMP C[NH2+][C@H](Cc1ccccc1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806330 1224625769 /nfs/dbraw/zinc/62/57/69/1224625769.db2.gz RUGODOKLENBBHF-MRXNPFEDSA-N 2 1 355.442 0.184 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219806280 1224625895 /nfs/dbraw/zinc/62/58/95/1224625895.db2.gz QCWXHJGDLHKGKV-APWZRJJASA-N 2 1 367.453 0.704 20 0 FCADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1(CC2CCC2)CC[NH2+]CC1 ZINC001219807991 1224626814 /nfs/dbraw/zinc/62/68/14/1224626814.db2.gz SHKXKYVYVOPKAG-UHFFFAOYSA-N 2 1 373.501 0.913 20 0 FCADMP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2)C(N)=O ZINC001112546390 1200768412 /nfs/dbraw/zinc/76/84/12/1200768412.db2.gz ISODHTNJBXKWLE-FCEWJHQRSA-N 2 1 366.506 0.191 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001112579173 1200818274 /nfs/dbraw/zinc/81/82/74/1200818274.db2.gz ZLAPZHAOSZSNIT-ZWOKBUDYSA-N 2 1 362.518 0.683 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112579435 1200819164 /nfs/dbraw/zinc/81/91/64/1200819164.db2.gz NILYXZDHLKRCPR-LPHOPBHVSA-N 2 1 359.474 0.642 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112586270 1200822772 /nfs/dbraw/zinc/82/27/72/1200822772.db2.gz QMRKZMQIFCTJDQ-GLJUWKHASA-N 2 1 367.494 0.128 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000787125246 1200869196 /nfs/dbraw/zinc/86/91/96/1200869196.db2.gz PGVNZDWOWMSIER-KRWDZBQOSA-N 2 1 368.522 0.593 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cn1 ZINC000787483481 1200888536 /nfs/dbraw/zinc/88/85/36/1200888536.db2.gz FDOAJGXYUYNHPT-ZDUSSCGKSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cn1 ZINC000787483481 1200888540 /nfs/dbraw/zinc/88/85/40/1200888540.db2.gz FDOAJGXYUYNHPT-ZDUSSCGKSA-N 2 1 370.457 0.791 20 0 FCADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371610 1201074589 /nfs/dbraw/zinc/07/45/89/1201074589.db2.gz TVLYEZHNJCZSLN-HKUYNNGSSA-N 2 1 364.490 0.657 20 0 FCADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H]1CN1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371610 1201074598 /nfs/dbraw/zinc/07/45/98/1201074598.db2.gz TVLYEZHNJCZSLN-HKUYNNGSSA-N 2 1 364.490 0.657 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)[NH+](C)C ZINC001219842209 1224649800 /nfs/dbraw/zinc/64/98/00/1224649800.db2.gz LBMKGTQYHSMXOM-IKGGRYGDSA-N 2 1 362.474 0.033 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)[NH+](C)C ZINC001219842209 1224649808 /nfs/dbraw/zinc/64/98/08/1224649808.db2.gz LBMKGTQYHSMXOM-IKGGRYGDSA-N 2 1 362.474 0.033 20 0 FCADMP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219847469 1224651092 /nfs/dbraw/zinc/65/10/92/1224651092.db2.gz IIJHMTUUQDHLAR-CADBVGFASA-N 3 1 370.497 0.344 20 0 FCADMP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219847469 1224651098 /nfs/dbraw/zinc/65/10/98/1224651098.db2.gz IIJHMTUUQDHLAR-CADBVGFASA-N 3 1 370.497 0.344 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000793737393 1201262650 /nfs/dbraw/zinc/26/26/50/1201262650.db2.gz IHJMNFZBGWBLCT-HZPDHXFCSA-N 2 1 366.506 0.345 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620383 1201282423 /nfs/dbraw/zinc/28/24/23/1201282423.db2.gz ODJOOUNSVAVNTJ-BPQIPLTHSA-N 2 1 370.497 0.801 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620383 1201282427 /nfs/dbraw/zinc/28/24/27/1201282427.db2.gz ODJOOUNSVAVNTJ-BPQIPLTHSA-N 2 1 370.497 0.801 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453795 1201311560 /nfs/dbraw/zinc/31/15/60/1201311560.db2.gz JQERAYHDVOFXBL-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441374 1201318073 /nfs/dbraw/zinc/31/80/73/1201318073.db2.gz RJXVYZZARZYJQM-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441374 1201318079 /nfs/dbraw/zinc/31/80/79/1201318079.db2.gz RJXVYZZARZYJQM-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441374 1201318082 /nfs/dbraw/zinc/31/80/82/1201318082.db2.gz RJXVYZZARZYJQM-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441374 1201318087 /nfs/dbraw/zinc/31/80/87/1201318087.db2.gz RJXVYZZARZYJQM-IXDOHACOSA-N 2 1 364.494 0.531 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624189 1201360167 /nfs/dbraw/zinc/36/01/67/1201360167.db2.gz RPRDCFSMLIMFKI-CEXWTWQISA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624189 1201360173 /nfs/dbraw/zinc/36/01/73/1201360173.db2.gz RPRDCFSMLIMFKI-CEXWTWQISA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2c2ccccc2)C1 ZINC001086624189 1201360182 /nfs/dbraw/zinc/36/01/82/1201360182.db2.gz RPRDCFSMLIMFKI-CEXWTWQISA-N 2 1 368.485 0.814 20 0 FCADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717698 1201377071 /nfs/dbraw/zinc/37/70/71/1201377071.db2.gz POUCLLWOMZXYFF-BWCQMHGCSA-N 2 1 362.478 0.307 20 0 FCADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717698 1201377076 /nfs/dbraw/zinc/37/70/76/1201377076.db2.gz POUCLLWOMZXYFF-BWCQMHGCSA-N 2 1 362.478 0.307 20 0 FCADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717395 1201377401 /nfs/dbraw/zinc/37/74/01/1201377401.db2.gz JXMVHRKWWHFXKG-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717395 1201377403 /nfs/dbraw/zinc/37/74/03/1201377403.db2.gz JXMVHRKWWHFXKG-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625369 1201394032 /nfs/dbraw/zinc/39/40/32/1201394032.db2.gz WTPCDTUHYKQWHT-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625369 1201394034 /nfs/dbraw/zinc/39/40/34/1201394034.db2.gz WTPCDTUHYKQWHT-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625369 1201394037 /nfs/dbraw/zinc/39/40/37/1201394037.db2.gz WTPCDTUHYKQWHT-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2c2ccccc2)C1 ZINC001086625369 1201394040 /nfs/dbraw/zinc/39/40/40/1201394040.db2.gz WTPCDTUHYKQWHT-IPMKNSEASA-N 2 1 361.486 0.938 20 0 FCADMP CCOC(=O)CC(=N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219883198 1224671151 /nfs/dbraw/zinc/67/11/51/1224671151.db2.gz RETOBAFGPRNXSK-HNNXBMFYSA-N 2 1 358.442 0.755 20 0 FCADMP CCOC(=O)CC(=N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219883198 1224671153 /nfs/dbraw/zinc/67/11/53/1224671153.db2.gz RETOBAFGPRNXSK-HNNXBMFYSA-N 2 1 358.442 0.755 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858222 1201406386 /nfs/dbraw/zinc/40/63/86/1201406386.db2.gz RRHCGJCMNWLNPG-VQHPVUNQSA-N 2 1 364.494 0.386 20 0 FCADMP Cc1cccc(Cn2c(=O)ccc3c2CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C3)n1 ZINC001219888911 1224672008 /nfs/dbraw/zinc/67/20/08/1224672008.db2.gz XJODMOIKQUMLKZ-WBVHZDCISA-N 2 1 369.469 0.250 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892325 1201416055 /nfs/dbraw/zinc/41/60/55/1201416055.db2.gz RKMCLMLNXASAAH-KFWWJZLASA-N 2 1 359.434 0.040 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129892295 1201416210 /nfs/dbraw/zinc/41/62/10/1201416210.db2.gz QDFGBQIFPIZTHL-ILXRZTDVSA-N 2 1 361.425 0.753 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910409 1201423351 /nfs/dbraw/zinc/42/33/51/1201423351.db2.gz RSINWYICNSZNAG-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001129916701 1201427028 /nfs/dbraw/zinc/42/70/28/1201427028.db2.gz BDIXMLVNZJEGCE-CVEARBPZSA-N 2 1 361.450 0.783 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129896416 1201431294 /nfs/dbraw/zinc/43/12/94/1201431294.db2.gz ZDQVMNYEDRNCBL-ZACQAIPSSA-N 2 1 366.485 0.957 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129918557 1201441024 /nfs/dbraw/zinc/44/10/24/1201441024.db2.gz DJZJSBSCCSRQMS-SJORKVTESA-N 2 1 371.489 0.945 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902411 1224675002 /nfs/dbraw/zinc/67/50/02/1224675002.db2.gz AZWLTMQMPNZFOJ-KSZLIROESA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902411 1224675007 /nfs/dbraw/zinc/67/50/07/1224675007.db2.gz AZWLTMQMPNZFOJ-KSZLIROESA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219902411 1224675011 /nfs/dbraw/zinc/67/50/11/1224675011.db2.gz AZWLTMQMPNZFOJ-KSZLIROESA-N 2 1 363.502 0.482 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001219902887 1224675765 /nfs/dbraw/zinc/67/57/65/1224675765.db2.gz NKGNRYSWMUZFGJ-CVEARBPZSA-N 2 1 361.446 0.614 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001219902887 1224675769 /nfs/dbraw/zinc/67/57/69/1224675769.db2.gz NKGNRYSWMUZFGJ-CVEARBPZSA-N 2 1 361.446 0.614 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001219902887 1224675776 /nfs/dbraw/zinc/67/57/76/1224675776.db2.gz NKGNRYSWMUZFGJ-CVEARBPZSA-N 2 1 361.446 0.614 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001219902887 1224675781 /nfs/dbraw/zinc/67/57/81/1224675781.db2.gz NKGNRYSWMUZFGJ-CVEARBPZSA-N 2 1 361.446 0.614 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085978 1201494268 /nfs/dbraw/zinc/49/42/68/1201494268.db2.gz GMNJLYOOVVNHBY-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001130096623 1201499051 /nfs/dbraw/zinc/49/90/51/1201499051.db2.gz NEKUTBVXUNXODA-MSOLQXFVSA-N 2 1 371.489 0.947 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130096871 1201499201 /nfs/dbraw/zinc/49/92/01/1201499201.db2.gz WEQKWRVTTAZSQN-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC001130104938 1201501537 /nfs/dbraw/zinc/50/15/37/1201501537.db2.gz CKVJCHKDDJSTFJ-RYRKJORJSA-N 2 1 362.478 0.142 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130107142 1201502307 /nfs/dbraw/zinc/50/23/07/1201502307.db2.gz FWMAHGSKOZOULH-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910404 1224678202 /nfs/dbraw/zinc/67/82/02/1224678202.db2.gz AOXFJQUMVZOHQU-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910404 1224678204 /nfs/dbraw/zinc/67/82/04/1224678204.db2.gz AOXFJQUMVZOHQU-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130136970 1201514603 /nfs/dbraw/zinc/51/46/03/1201514603.db2.gz BUCFDXPCYMRXIU-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137339 1201515329 /nfs/dbraw/zinc/51/53/29/1201515329.db2.gz UOBQXWYIPJEVMB-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP COc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180582 1201525361 /nfs/dbraw/zinc/52/53/61/1201525361.db2.gz UGLSSNUFKREVRU-CZUORRHYSA-N 2 1 364.446 0.059 20 0 FCADMP COc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180582 1201525367 /nfs/dbraw/zinc/52/53/67/1201525367.db2.gz UGLSSNUFKREVRU-CZUORRHYSA-N 2 1 364.446 0.059 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919627 1224680441 /nfs/dbraw/zinc/68/04/41/1224680441.db2.gz GQXHWLFJZWYAMO-MSOLQXFVSA-N 2 1 364.490 0.742 20 0 FCADMP Cc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184226 1201536527 /nfs/dbraw/zinc/53/65/27/1201536527.db2.gz HDIQAIJUPJPMCJ-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP Cc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184226 1201536533 /nfs/dbraw/zinc/53/65/33/1201536533.db2.gz HDIQAIJUPJPMCJ-NVXWUHKLSA-N 2 1 362.474 0.036 20 0 FCADMP Cc1cccc(NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184718 1201537006 /nfs/dbraw/zinc/53/70/06/1201537006.db2.gz XXUCEDGDRLKGRG-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1cccc(NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184718 1201537014 /nfs/dbraw/zinc/53/70/14/1201537014.db2.gz XXUCEDGDRLKGRG-HLLBOEOZSA-N 2 1 362.474 0.747 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130221180 1201550394 /nfs/dbraw/zinc/55/03/94/1201550394.db2.gz YKLCGXVDDNLYLJ-DZKIICNBSA-N 2 1 364.494 0.633 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130307677 1201582449 /nfs/dbraw/zinc/58/24/49/1201582449.db2.gz YIVFIICHYYFFIE-OGWOLHLISA-N 2 1 368.522 0.184 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556010 1202716474 /nfs/dbraw/zinc/71/64/74/1202716474.db2.gz PNZUHEBUDJASPK-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130556010 1202716475 /nfs/dbraw/zinc/71/64/75/1202716475.db2.gz PNZUHEBUDJASPK-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607633 1202733564 /nfs/dbraw/zinc/73/35/64/1202733564.db2.gz GKGSUXGIWFYKCT-UWWQBHOKSA-N 2 1 363.506 0.823 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130627148 1202736120 /nfs/dbraw/zinc/73/61/20/1202736120.db2.gz XWFVZBJONXOLEX-DOTOQJQBSA-N 2 1 360.462 0.546 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726403 1202768065 /nfs/dbraw/zinc/76/80/65/1202768065.db2.gz WJQJOLVVOIWNBS-DOTOQJQBSA-N 2 1 360.462 0.546 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220073922 1224746171 /nfs/dbraw/zinc/74/61/71/1224746171.db2.gz NICUIBAJXPUVQW-HNNXBMFYSA-N 2 1 367.413 0.606 20 0 FCADMP O=C(NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)C12CC[NH+](CC1)C2 ZINC001130817298 1202807661 /nfs/dbraw/zinc/80/76/61/1202807661.db2.gz KPYRHLUEXARUFM-QWHCGFSZSA-N 2 1 366.441 0.296 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130819874 1202809153 /nfs/dbraw/zinc/80/91/53/1202809153.db2.gz ITADTWZOGHBTDK-LSDHHAIUSA-N 2 1 364.494 0.981 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943858 1202826972 /nfs/dbraw/zinc/82/69/72/1202826972.db2.gz MLDRILNPGDOVQL-ZACQAIPSSA-N 2 1 363.506 0.825 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070401 1202856266 /nfs/dbraw/zinc/85/62/66/1202856266.db2.gz UBYYNDMCMTZJHO-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131101159 1202863170 /nfs/dbraw/zinc/86/31/70/1202863170.db2.gz QIGKXVKQNXEAPQ-HZPDHXFCSA-N 2 1 360.462 0.834 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131101159 1202863172 /nfs/dbraw/zinc/86/31/72/1202863172.db2.gz QIGKXVKQNXEAPQ-HZPDHXFCSA-N 2 1 360.462 0.834 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120922 1202865922 /nfs/dbraw/zinc/86/59/22/1202865922.db2.gz DBHKCVYABSPQAJ-BRWVUGGUSA-N 2 1 363.506 0.682 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001131316860 1202886034 /nfs/dbraw/zinc/88/60/34/1202886034.db2.gz ZIGKLFMOEGAPRY-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CCOCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131362241 1202890572 /nfs/dbraw/zinc/89/05/72/1202890572.db2.gz QRJBMEKMWOIEAF-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131362241 1202890576 /nfs/dbraw/zinc/89/05/76/1202890576.db2.gz QRJBMEKMWOIEAF-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131362241 1202890577 /nfs/dbraw/zinc/89/05/77/1202890577.db2.gz QRJBMEKMWOIEAF-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131362241 1202890578 /nfs/dbraw/zinc/89/05/78/1202890578.db2.gz QRJBMEKMWOIEAF-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP COCCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131362013 1202890623 /nfs/dbraw/zinc/89/06/23/1202890623.db2.gz JVAGPCURKMEYFY-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP COCCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131362013 1202890627 /nfs/dbraw/zinc/89/06/27/1202890627.db2.gz JVAGPCURKMEYFY-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP COCCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131362013 1202890628 /nfs/dbraw/zinc/89/06/28/1202890628.db2.gz JVAGPCURKMEYFY-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](O)CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361772 1202890781 /nfs/dbraw/zinc/89/07/81/1202890781.db2.gz CSHWDXROCNGNJM-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](O)CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361772 1202890783 /nfs/dbraw/zinc/89/07/83/1202890783.db2.gz CSHWDXROCNGNJM-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](O)CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361772 1202890786 /nfs/dbraw/zinc/89/07/86/1202890786.db2.gz CSHWDXROCNGNJM-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](O)CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361772 1202890788 /nfs/dbraw/zinc/89/07/88/1202890788.db2.gz CSHWDXROCNGNJM-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086716636 1203011275 /nfs/dbraw/zinc/01/12/75/1203011275.db2.gz KFDPTHUTYLHZFY-ARFHVFGLSA-N 2 1 363.510 0.563 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126459 1203015595 /nfs/dbraw/zinc/01/55/95/1203015595.db2.gz SFGDEASKEULUFW-MSOLQXFVSA-N 2 1 360.502 0.906 20 0 FCADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC001134126361 1203015953 /nfs/dbraw/zinc/01/59/53/1203015953.db2.gz MQPSEEGJGKDZEC-MSOLQXFVSA-N 2 1 356.474 0.849 20 0 FCADMP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC001134126361 1203015958 /nfs/dbraw/zinc/01/59/58/1203015958.db2.gz MQPSEEGJGKDZEC-MSOLQXFVSA-N 2 1 356.474 0.849 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086783803 1203091803 /nfs/dbraw/zinc/09/18/03/1203091803.db2.gz QHUPZPZJYGEVHM-HRCADAONSA-N 2 1 363.510 0.707 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001086784942 1203092163 /nfs/dbraw/zinc/09/21/63/1203092163.db2.gz BWDORZWNBRHFHI-CGTJXYLNSA-N 2 1 363.506 0.904 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001086785296 1203092661 /nfs/dbraw/zinc/09/26/61/1203092661.db2.gz RXCAITAGJWJWBM-ZMSDIMECSA-N 2 1 364.494 0.299 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000817975276 1203129747 /nfs/dbraw/zinc/12/97/47/1203129747.db2.gz SMWRUVNWHPYPQA-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899878 1203137321 /nfs/dbraw/zinc/13/73/21/1203137321.db2.gz YPJVHMPYEQIYGT-ZFWWWQNUSA-N 3 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@H](N)CCC[NH3+] ZINC001170899878 1203137324 /nfs/dbraw/zinc/13/73/24/1203137324.db2.gz YPJVHMPYEQIYGT-ZFWWWQNUSA-N 2 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@H](N)CCC[NH3+] ZINC001170899878 1203137328 /nfs/dbraw/zinc/13/73/28/1203137328.db2.gz YPJVHMPYEQIYGT-ZFWWWQNUSA-N 2 1 367.494 0.623 20 0 FCADMP COc1ccc(OC)c([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819004970 1203147393 /nfs/dbraw/zinc/14/73/93/1203147393.db2.gz VXRLEEVVCCFWJW-WMLDXEAASA-N 2 1 365.474 0.914 20 0 FCADMP CO[C@H](C[NH3+])Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000822925630 1203240501 /nfs/dbraw/zinc/24/05/01/1203240501.db2.gz GDUBDDHBIBTVKQ-HNNXBMFYSA-N 2 1 359.430 0.640 20 0 FCADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822951133 1203242453 /nfs/dbraw/zinc/24/24/53/1203242453.db2.gz KWGGPQOORKHBKI-HNNXBMFYSA-N 2 1 358.446 0.804 20 0 FCADMP COc1ccc([C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090881036 1203329104 /nfs/dbraw/zinc/32/91/04/1203329104.db2.gz WEMOHYWXWUGOPC-AYOQOUSVSA-N 2 1 361.486 0.913 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844175716 1203337981 /nfs/dbraw/zinc/33/79/81/1203337981.db2.gz OFSHTGHADRHFKK-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220225543 1224808678 /nfs/dbraw/zinc/80/86/78/1224808678.db2.gz HGFPJIXYXLIALV-QFBILLFUSA-N 2 1 371.441 0.213 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@]2(N)CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228073 1224809451 /nfs/dbraw/zinc/80/94/51/1224809451.db2.gz ABFJVPVFGPVYDJ-RBUKOAKNSA-N 2 1 360.458 0.001 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)c1 ZINC001220229220 1224810120 /nfs/dbraw/zinc/81/01/20/1224810120.db2.gz SMZFRCAHLIAMKF-MSOLQXFVSA-N 2 1 360.502 0.756 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228344 1224810178 /nfs/dbraw/zinc/81/01/78/1224810178.db2.gz JLZFECOOBCPJIV-YLJYHZDGSA-N 3 1 374.485 0.247 20 0 FCADMP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC001220228344 1224810181 /nfs/dbraw/zinc/81/01/81/1224810181.db2.gz JLZFECOOBCPJIV-YLJYHZDGSA-N 2 1 374.485 0.247 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220236682 1224812325 /nfs/dbraw/zinc/81/23/25/1224812325.db2.gz DORFTWBKTRSYKI-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220254511 1224815148 /nfs/dbraw/zinc/81/51/48/1224815148.db2.gz RWOKUPYNCKSUJD-YJBOKZPZSA-N 2 1 371.485 0.754 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261020 1224815678 /nfs/dbraw/zinc/81/56/78/1224815678.db2.gz OMQAUJDKLZOGBU-IBGZPJMESA-N 2 1 365.566 0.898 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000845992147 1204573499 /nfs/dbraw/zinc/57/34/99/1204573499.db2.gz YHPDKQNCAYFDLZ-OAHLLOKOSA-N 2 1 372.510 0.670 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000846143272 1204596233 /nfs/dbraw/zinc/59/62/33/1204596233.db2.gz DDDAPIPZGSNEAQ-DZVNLGKHSA-N 2 1 366.506 0.778 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355394 1224840823 /nfs/dbraw/zinc/84/08/23/1224840823.db2.gz OFFDBSPSXOSSBO-UHOSZYNNSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355394 1224840826 /nfs/dbraw/zinc/84/08/26/1224840826.db2.gz OFFDBSPSXOSSBO-UHOSZYNNSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355394 1224840829 /nfs/dbraw/zinc/84/08/29/1224840829.db2.gz OFFDBSPSXOSSBO-UHOSZYNNSA-N 2 1 361.486 0.706 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220355394 1224840832 /nfs/dbraw/zinc/84/08/32/1224840832.db2.gz OFFDBSPSXOSSBO-UHOSZYNNSA-N 2 1 361.486 0.706 20 0 FCADMP [NH3+]CCCNCC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358283 1224842121 /nfs/dbraw/zinc/84/21/21/1224842121.db2.gz QMJTUYFBIOFSLZ-DLBZAZTESA-N 2 1 362.474 0.500 20 0 FCADMP CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2)C1 ZINC001091401231 1204664581 /nfs/dbraw/zinc/66/45/81/1204664581.db2.gz WNZOVTXNJNMXCW-FHLIZLRMSA-N 2 1 362.474 0.890 20 0 FCADMP CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2)C1 ZINC001091401231 1204664587 /nfs/dbraw/zinc/66/45/87/1204664587.db2.gz WNZOVTXNJNMXCW-FHLIZLRMSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2)C1 ZINC001091401231 1204664592 /nfs/dbraw/zinc/66/45/92/1204664592.db2.gz WNZOVTXNJNMXCW-FHLIZLRMSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2)C1 ZINC001091401231 1204664597 /nfs/dbraw/zinc/66/45/97/1204664597.db2.gz WNZOVTXNJNMXCW-FHLIZLRMSA-N 2 1 362.474 0.890 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387772 1224854056 /nfs/dbraw/zinc/85/40/56/1224854056.db2.gz QFAGQWCSQCZKBD-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387772 1224854060 /nfs/dbraw/zinc/85/40/60/1224854060.db2.gz QFAGQWCSQCZKBD-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387772 1224854061 /nfs/dbraw/zinc/85/40/61/1224854061.db2.gz QFAGQWCSQCZKBD-HCXYKTFWSA-N 2 1 361.486 0.530 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716881 1204831768 /nfs/dbraw/zinc/83/17/68/1204831768.db2.gz XKJKZPYNWFZWJY-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716881 1204831769 /nfs/dbraw/zinc/83/17/69/1204831769.db2.gz XKJKZPYNWFZWJY-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091716881 1204831770 /nfs/dbraw/zinc/83/17/70/1204831770.db2.gz XKJKZPYNWFZWJY-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)c3ccc(NC(N)=[NH2+])cc3)ncn2)CC1 ZINC001148641236 1204837213 /nfs/dbraw/zinc/83/72/13/1204837213.db2.gz ILANZJIFXKRMRJ-UHFFFAOYSA-N 2 1 354.418 0.786 20 0 FCADMP Cn1cc(CN2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754275 1204844002 /nfs/dbraw/zinc/84/40/02/1204844002.db2.gz MKPWERYVRYSAQE-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091754275 1204844004 /nfs/dbraw/zinc/84/40/04/1204844004.db2.gz MKPWERYVRYSAQE-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091754275 1204844005 /nfs/dbraw/zinc/84/40/05/1204844005.db2.gz MKPWERYVRYSAQE-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754275 1204844007 /nfs/dbraw/zinc/84/40/07/1204844007.db2.gz MKPWERYVRYSAQE-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754275 1204844008 /nfs/dbraw/zinc/84/40/08/1204844008.db2.gz MKPWERYVRYSAQE-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1ncc(CN2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091754192 1204844025 /nfs/dbraw/zinc/84/40/25/1204844025.db2.gz IFYWXCCZXXLXMS-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(CN2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754276 1204844123 /nfs/dbraw/zinc/84/41/23/1204844123.db2.gz MKPWERYVRYSAQE-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091754276 1204844124 /nfs/dbraw/zinc/84/41/24/1204844124.db2.gz MKPWERYVRYSAQE-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091754276 1204844127 /nfs/dbraw/zinc/84/41/27/1204844127.db2.gz MKPWERYVRYSAQE-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754276 1204844128 /nfs/dbraw/zinc/84/41/28/1204844128.db2.gz MKPWERYVRYSAQE-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)nn1 ZINC001091754276 1204844131 /nfs/dbraw/zinc/84/41/31/1204844131.db2.gz MKPWERYVRYSAQE-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1ncnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754174 1204844275 /nfs/dbraw/zinc/84/42/75/1204844275.db2.gz HKWZMSMEMRIPRL-MDZRGWNJSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2[NH2+]CCO)cn1 ZINC001086982293 1204878213 /nfs/dbraw/zinc/87/82/13/1204878213.db2.gz CRURXDBYLUVNDD-ARFHVFGLSA-N 2 1 358.446 0.071 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001087009462 1204897074 /nfs/dbraw/zinc/89/70/74/1204897074.db2.gz HNGBQPFXXCYNJY-RRQGHBQHSA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001087009462 1204897075 /nfs/dbraw/zinc/89/70/75/1204897075.db2.gz HNGBQPFXXCYNJY-RRQGHBQHSA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087009776 1204897554 /nfs/dbraw/zinc/89/75/54/1204897554.db2.gz YBGOEVZNTAKRPH-ZYSHUDEJSA-N 2 1 368.485 0.851 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087034941 1204909930 /nfs/dbraw/zinc/90/99/30/1204909930.db2.gz FADRDNAEAZSWCC-IXDOHACOSA-N 2 1 363.506 0.950 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087035409 1204911321 /nfs/dbraw/zinc/91/13/21/1204911321.db2.gz ZYYFDIZUBPFRME-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087038673 1204917354 /nfs/dbraw/zinc/91/73/54/1204917354.db2.gz SGWPNTZLOVZSOK-DJIMGWMZSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1conc1C ZINC001087038673 1204917361 /nfs/dbraw/zinc/91/73/61/1204917361.db2.gz SGWPNTZLOVZSOK-DJIMGWMZSA-N 2 1 366.462 0.267 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087055663 1204935447 /nfs/dbraw/zinc/93/54/47/1204935447.db2.gz ZRUSZMCGLCMOEN-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087063273 1204950199 /nfs/dbraw/zinc/95/01/99/1204950199.db2.gz PZRATVZNWYWSJA-BRWVUGGUSA-N 2 1 363.506 0.858 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](OCC)C1 ZINC001087058368 1204965162 /nfs/dbraw/zinc/96/51/62/1204965162.db2.gz GHESZPRCVCIESB-HYVNUMGLSA-N 2 1 365.478 0.897 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087100744 1204996742 /nfs/dbraw/zinc/99/67/42/1204996742.db2.gz BLULYUMCQWACIG-LZLYRXPVSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087100719 1204998003 /nfs/dbraw/zinc/99/80/03/1204998003.db2.gz AQNURDQGUVFOTC-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087100719 1204998015 /nfs/dbraw/zinc/99/80/15/1204998015.db2.gz AQNURDQGUVFOTC-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818407 1205041860 /nfs/dbraw/zinc/04/18/60/1205041860.db2.gz FSORONMGPKSUPJ-MDZRGWNJSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091824464 1205045211 /nfs/dbraw/zinc/04/52/11/1205045211.db2.gz ZGOZGYLZQRKAKA-ALKREAHSSA-N 2 1 353.426 0.617 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@]2(C)C1 ZINC001091857540 1205052650 /nfs/dbraw/zinc/05/26/50/1205052650.db2.gz LETUOZLBOAZFRS-MJGOQNOKSA-N 2 1 371.489 0.880 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@]2(C)C1 ZINC001091857540 1205052656 /nfs/dbraw/zinc/05/26/56/1205052656.db2.gz LETUOZLBOAZFRS-MJGOQNOKSA-N 2 1 371.489 0.880 20 0 FCADMP C[C@]12CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091860850 1205055344 /nfs/dbraw/zinc/05/53/44/1205055344.db2.gz LLXULWISMUCDSP-LIVBEALHSA-N 2 1 371.485 0.431 20 0 FCADMP C[C@]12CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091860850 1205055349 /nfs/dbraw/zinc/05/53/49/1205055349.db2.gz LLXULWISMUCDSP-LIVBEALHSA-N 2 1 371.485 0.431 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC001092034664 1205108869 /nfs/dbraw/zinc/10/88/69/1205108869.db2.gz IIAWHUAAOGWLAJ-WIRSXHRWSA-N 2 1 370.497 0.597 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC001092034664 1205108873 /nfs/dbraw/zinc/10/88/73/1205108873.db2.gz IIAWHUAAOGWLAJ-WIRSXHRWSA-N 2 1 370.497 0.597 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC001092034664 1205108875 /nfs/dbraw/zinc/10/88/75/1205108875.db2.gz IIAWHUAAOGWLAJ-WIRSXHRWSA-N 2 1 370.497 0.597 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188011 1205186994 /nfs/dbraw/zinc/18/69/94/1205186994.db2.gz KNKHIWPPFFMZEL-NQYLQCIDSA-N 2 1 362.518 0.763 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092204335 1205197070 /nfs/dbraw/zinc/19/70/70/1205197070.db2.gz ZTMXRKXIDAZBLU-VLIAUNLRSA-N 2 1 371.485 0.820 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203151 1205197128 /nfs/dbraw/zinc/19/71/28/1205197128.db2.gz FVUDSVUYGJLXIG-KHYOSLBOSA-N 2 1 360.502 0.530 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001092301828 1205234971 /nfs/dbraw/zinc/23/49/71/1205234971.db2.gz OMUIOBCHVDEWKF-MJGOQNOKSA-N 2 1 360.506 0.934 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092521903 1205302295 /nfs/dbraw/zinc/30/22/95/1205302295.db2.gz GXCFFXZETFRIDH-FVQBIDKESA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092521903 1205302299 /nfs/dbraw/zinc/30/22/99/1205302299.db2.gz GXCFFXZETFRIDH-FVQBIDKESA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092521903 1205302304 /nfs/dbraw/zinc/30/23/04/1205302304.db2.gz GXCFFXZETFRIDH-FVQBIDKESA-N 2 1 365.478 0.325 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092521903 1205302307 /nfs/dbraw/zinc/30/23/07/1205302307.db2.gz GXCFFXZETFRIDH-FVQBIDKESA-N 2 1 365.478 0.325 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521719 1205302542 /nfs/dbraw/zinc/30/25/42/1205302542.db2.gz CCEZGNUZFTUGQC-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521719 1205302544 /nfs/dbraw/zinc/30/25/44/1205302544.db2.gz CCEZGNUZFTUGQC-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092521719 1205302546 /nfs/dbraw/zinc/30/25/46/1205302546.db2.gz CCEZGNUZFTUGQC-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092521719 1205302547 /nfs/dbraw/zinc/30/25/47/1205302547.db2.gz CCEZGNUZFTUGQC-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517065 1224899963 /nfs/dbraw/zinc/89/99/63/1224899963.db2.gz UGMHNLAWQCJCPG-NXHRZFHOSA-N 2 1 365.522 0.902 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001092985227 1205972926 /nfs/dbraw/zinc/97/29/26/1205972926.db2.gz GBJRFWQABRTMMH-DDBAPUKQSA-N 2 1 358.486 0.501 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001092985227 1205972933 /nfs/dbraw/zinc/97/29/33/1205972933.db2.gz GBJRFWQABRTMMH-DDBAPUKQSA-N 2 1 358.486 0.501 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001092985227 1205972940 /nfs/dbraw/zinc/97/29/40/1205972940.db2.gz GBJRFWQABRTMMH-DDBAPUKQSA-N 2 1 358.486 0.501 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001093085079 1206014520 /nfs/dbraw/zinc/01/45/20/1206014520.db2.gz PUCQWASPPOPRFW-CKEIUWERSA-N 2 1 368.441 0.454 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001093085079 1206014522 /nfs/dbraw/zinc/01/45/22/1206014522.db2.gz PUCQWASPPOPRFW-CKEIUWERSA-N 2 1 368.441 0.454 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093134251 1206032506 /nfs/dbraw/zinc/03/25/06/1206032506.db2.gz YOCRNSHNEOQMKW-BRWVUGGUSA-N 2 1 361.490 0.024 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093133116 1206032762 /nfs/dbraw/zinc/03/27/62/1206032762.db2.gz QKDDXGCOUXVPLV-RHSMWYFYSA-N 2 1 360.506 0.675 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193986 1206052912 /nfs/dbraw/zinc/05/29/12/1206052912.db2.gz SISBYYLGUAGRHE-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193986 1206052916 /nfs/dbraw/zinc/05/29/16/1206052916.db2.gz SISBYYLGUAGRHE-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193986 1206052919 /nfs/dbraw/zinc/05/29/19/1206052919.db2.gz SISBYYLGUAGRHE-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193986 1206052923 /nfs/dbraw/zinc/05/29/23/1206052923.db2.gz SISBYYLGUAGRHE-QLFBSQMISA-N 2 1 363.510 0.564 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H]4CCOC4)nn3)C2)CC[N@H+]1C ZINC001093322714 1206075277 /nfs/dbraw/zinc/07/52/77/1206075277.db2.gz QNZRHGMJTDERAP-JKIFEVAISA-N 2 1 362.478 0.128 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093465510 1206084830 /nfs/dbraw/zinc/08/48/30/1206084830.db2.gz KBRDIMVBKJQLEJ-CIWUYKSXSA-N 2 1 367.534 0.677 20 0 FCADMP CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001093487545 1206090612 /nfs/dbraw/zinc/09/06/12/1206090612.db2.gz HKRJJWPGDWWEOB-OQIJWPOYSA-N 2 1 364.534 0.865 20 0 FCADMP CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093487545 1206090616 /nfs/dbraw/zinc/09/06/16/1206090616.db2.gz HKRJJWPGDWWEOB-OQIJWPOYSA-N 2 1 364.534 0.865 20 0 FCADMP CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093487545 1206090620 /nfs/dbraw/zinc/09/06/20/1206090620.db2.gz HKRJJWPGDWWEOB-OQIJWPOYSA-N 2 1 364.534 0.865 20 0 FCADMP CCN1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001093487545 1206090623 /nfs/dbraw/zinc/09/06/23/1206090623.db2.gz HKRJJWPGDWWEOB-OQIJWPOYSA-N 2 1 364.534 0.865 20 0 FCADMP CCN1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001093487545 1206090626 /nfs/dbraw/zinc/09/06/26/1206090626.db2.gz HKRJJWPGDWWEOB-OQIJWPOYSA-N 2 1 364.534 0.865 20 0 FCADMP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001093674601 1206099544 /nfs/dbraw/zinc/09/95/44/1206099544.db2.gz KXSBKNGKSBKZCR-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001093690527 1206100985 /nfs/dbraw/zinc/10/09/85/1206100985.db2.gz ZIKKRRUCXOMRGE-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001093690527 1206100987 /nfs/dbraw/zinc/10/09/87/1206100987.db2.gz ZIKKRRUCXOMRGE-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149359 1206122647 /nfs/dbraw/zinc/12/26/47/1206122647.db2.gz DOUHEURYLLMSHH-XGUBFFRZSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149359 1206122650 /nfs/dbraw/zinc/12/26/50/1206122650.db2.gz DOUHEURYLLMSHH-XGUBFFRZSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093822469 1206123932 /nfs/dbraw/zinc/12/39/32/1206123932.db2.gz RQCGXYCOKWBFTK-FMKPAKJESA-N 2 1 357.462 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093822472 1206124223 /nfs/dbraw/zinc/12/42/23/1206124223.db2.gz RQCGXYCOKWBFTK-IIAWOOMASA-N 2 1 357.462 0.773 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)C1 ZINC001093993583 1206165262 /nfs/dbraw/zinc/16/52/62/1206165262.db2.gz NZTLYWUIBCLPOK-BRWVUGGUSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccn3C)[C@H](C)C2)C1 ZINC001093993583 1206165264 /nfs/dbraw/zinc/16/52/64/1206165264.db2.gz NZTLYWUIBCLPOK-BRWVUGGUSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)C1 ZINC001093993183 1206165571 /nfs/dbraw/zinc/16/55/71/1206165571.db2.gz GMBYWFWEHSTFHJ-NXHRZFHOSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)c3)[C@H](C)C2)C1 ZINC001093993183 1206165572 /nfs/dbraw/zinc/16/55/72/1206165572.db2.gz GMBYWFWEHSTFHJ-NXHRZFHOSA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)C1 ZINC001093993084 1206165577 /nfs/dbraw/zinc/16/55/77/1206165577.db2.gz BUIWLZQHUYARGR-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)C1 ZINC001093993084 1206165578 /nfs/dbraw/zinc/16/55/78/1206165578.db2.gz BUIWLZQHUYARGR-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093991825 1206165621 /nfs/dbraw/zinc/16/56/21/1206165621.db2.gz FVOBKRBHKVBMNP-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093991825 1206165624 /nfs/dbraw/zinc/16/56/24/1206165624.db2.gz FVOBKRBHKVBMNP-BFYDXBDKSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001094040978 1206174471 /nfs/dbraw/zinc/17/44/71/1206174471.db2.gz RLYNIOQMGLDVPF-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)C1 ZINC001094232403 1206208432 /nfs/dbraw/zinc/20/84/32/1206208432.db2.gz VMYVMGRCEZQLMI-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(OC)no3)[C@H](C)C2)C1 ZINC001094232403 1206208435 /nfs/dbraw/zinc/20/84/35/1206208435.db2.gz VMYVMGRCEZQLMI-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)C1 ZINC001094232047 1206208575 /nfs/dbraw/zinc/20/85/75/1206208575.db2.gz KFTZPVNPJZBIIE-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)C1 ZINC001094232047 1206208576 /nfs/dbraw/zinc/20/85/76/1206208576.db2.gz KFTZPVNPJZBIIE-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094234003 1206208922 /nfs/dbraw/zinc/20/89/22/1206208922.db2.gz DMWBLFJKCYRKDT-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094234003 1206208924 /nfs/dbraw/zinc/20/89/24/1206208924.db2.gz DMWBLFJKCYRKDT-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)C1 ZINC001094384805 1206222968 /nfs/dbraw/zinc/22/29/68/1206222968.db2.gz KAQQMAXKZDSDOA-ZHALLVOQSA-N 2 1 361.490 0.575 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cccn2)CC3)C1 ZINC001094384805 1206222970 /nfs/dbraw/zinc/22/29/70/1206222970.db2.gz KAQQMAXKZDSDOA-ZHALLVOQSA-N 2 1 361.490 0.575 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cccn2)CC3)C1 ZINC001094384805 1206222973 /nfs/dbraw/zinc/22/29/73/1206222973.db2.gz KAQQMAXKZDSDOA-ZHALLVOQSA-N 2 1 361.490 0.575 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cccn2)CC3)C1 ZINC001094384805 1206222974 /nfs/dbraw/zinc/22/29/74/1206222974.db2.gz KAQQMAXKZDSDOA-ZHALLVOQSA-N 2 1 361.490 0.575 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577906 1206240596 /nfs/dbraw/zinc/24/05/96/1206240596.db2.gz OWPDUUVGUWCWQB-XAUMDUMWSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577906 1206240599 /nfs/dbraw/zinc/24/05/99/1206240599.db2.gz OWPDUUVGUWCWQB-XAUMDUMWSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577906 1206240602 /nfs/dbraw/zinc/24/06/02/1206240602.db2.gz OWPDUUVGUWCWQB-XAUMDUMWSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1ncnc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500310 1206249223 /nfs/dbraw/zinc/24/92/23/1206249223.db2.gz KLICJONUXANNJJ-BZUAXINKSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1ncnc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500310 1206249226 /nfs/dbraw/zinc/24/92/26/1206249226.db2.gz KLICJONUXANNJJ-BZUAXINKSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1nncc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498441 1206249256 /nfs/dbraw/zinc/24/92/56/1206249256.db2.gz CGQGKJJZOOZVIT-ZMSDIMECSA-N 2 1 366.510 0.782 20 0 FCADMP CCn1nncc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498441 1206249257 /nfs/dbraw/zinc/24/92/57/1206249257.db2.gz CGQGKJJZOOZVIT-ZMSDIMECSA-N 2 1 366.510 0.782 20 0 FCADMP CN1[C@H]2COC[C@@H]1CC([N@H+]1CCCn3c(=O)cc(C[NH+](C)C)nc3C1)C2 ZINC001172140083 1206257621 /nfs/dbraw/zinc/25/76/21/1206257621.db2.gz RUCYMSLRZQVQEN-ALOPSCKCSA-N 2 1 361.490 0.372 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC2)CC1 ZINC001173758876 1206288372 /nfs/dbraw/zinc/28/83/72/1206288372.db2.gz HIDUKZUIFGLMFU-DLBZAZTESA-N 2 1 361.494 0.643 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC2)CC1 ZINC001173758877 1206288654 /nfs/dbraw/zinc/28/86/54/1206288654.db2.gz HIDUKZUIFGLMFU-IAGOWNOFSA-N 2 1 361.494 0.643 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110193997 1206312207 /nfs/dbraw/zinc/31/22/07/1206312207.db2.gz KLINERNLBKBZSN-XWSJACJDSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110193997 1206312210 /nfs/dbraw/zinc/31/22/10/1206312210.db2.gz KLINERNLBKBZSN-XWSJACJDSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110193997 1206312212 /nfs/dbraw/zinc/31/22/12/1206312212.db2.gz KLINERNLBKBZSN-XWSJACJDSA-N 2 1 361.486 0.847 20 0 FCADMP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110193997 1206312215 /nfs/dbraw/zinc/31/22/15/1206312215.db2.gz KLINERNLBKBZSN-XWSJACJDSA-N 2 1 361.486 0.847 20 0 FCADMP CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088683 1206330009 /nfs/dbraw/zinc/33/00/09/1206330009.db2.gz PGTPAJVDQDOVPR-LBPRGKRZSA-N 2 1 367.454 0.306 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220582888 1224947619 /nfs/dbraw/zinc/94/76/19/1224947619.db2.gz JHNFXMSIPMBLBG-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220582888 1224947629 /nfs/dbraw/zinc/94/76/29/1224947629.db2.gz JHNFXMSIPMBLBG-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181895835 1206417067 /nfs/dbraw/zinc/41/70/67/1206417067.db2.gz GSRABPSPXBCTKL-YKTARERQSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181895835 1206417069 /nfs/dbraw/zinc/41/70/69/1206417069.db2.gz GSRABPSPXBCTKL-YKTARERQSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001181994403 1206418550 /nfs/dbraw/zinc/41/85/50/1206418550.db2.gz JBPZRKGPSBVTJQ-GOSISDBHSA-N 2 1 374.533 0.847 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000774814395 1206474643 /nfs/dbraw/zinc/47/46/43/1206474643.db2.gz HYHIZDLKTQUZNO-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)[C@@H]2C ZINC001185253041 1206477347 /nfs/dbraw/zinc/47/73/47/1206477347.db2.gz VJMFMABKAFHUQS-WBVHZDCISA-N 2 1 362.522 0.872 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000774886838 1206481585 /nfs/dbraw/zinc/48/15/85/1206481585.db2.gz BEKDRLNEHGRTNV-HOTGVXAUSA-N 2 1 366.506 0.347 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273511999 1206488732 /nfs/dbraw/zinc/48/87/32/1206488732.db2.gz OYGHRAMKLGHTDH-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273511999 1206488733 /nfs/dbraw/zinc/48/87/33/1206488733.db2.gz OYGHRAMKLGHTDH-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@]3(C2)C[N@H+](CCn2ccnc2)CCO3)C1 ZINC001273511999 1206488734 /nfs/dbraw/zinc/48/87/34/1206488734.db2.gz OYGHRAMKLGHTDH-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@]3(C2)C[N@@H+](CCn2ccnc2)CCO3)C1 ZINC001273511999 1206488735 /nfs/dbraw/zinc/48/87/35/1206488735.db2.gz OYGHRAMKLGHTDH-IEBWSBKVSA-N 2 1 361.490 0.528 20 0 FCADMP Cc1cccc(N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001186039582 1206491148 /nfs/dbraw/zinc/49/11/48/1206491148.db2.gz YPLNRYMLFSPBIV-CMKODMSKSA-N 2 1 359.470 0.916 20 0 FCADMP Cc1cccc(N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001186039582 1206491150 /nfs/dbraw/zinc/49/11/50/1206491150.db2.gz YPLNRYMLFSPBIV-CMKODMSKSA-N 2 1 359.470 0.916 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001186116626 1206493674 /nfs/dbraw/zinc/49/36/74/1206493674.db2.gz JFRHQWVDQKZZAF-SFHVURJKSA-N 2 1 374.485 0.905 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001186116626 1206493675 /nfs/dbraw/zinc/49/36/75/1206493675.db2.gz JFRHQWVDQKZZAF-SFHVURJKSA-N 2 1 374.485 0.905 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)CC1 ZINC001220638163 1224979168 /nfs/dbraw/zinc/97/91/68/1224979168.db2.gz VARPCVVGXLSUEE-MOPGFXCFSA-N 2 1 361.486 0.501 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001220643192 1224982595 /nfs/dbraw/zinc/98/25/95/1224982595.db2.gz UADPBSCEOOYWNU-SYNTWQANSA-N 2 1 369.506 0.074 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001188107407 1207422378 /nfs/dbraw/zinc/42/23/78/1207422378.db2.gz NTUJFUHWCSHTPV-YESZJQIVSA-N 2 1 368.497 0.821 20 0 FCADMP CN(CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405855 1207454708 /nfs/dbraw/zinc/45/47/08/1207454708.db2.gz QTVNCGRZHUHZGI-RYQLBKOJSA-N 2 1 371.485 0.671 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609497 1207466697 /nfs/dbraw/zinc/46/66/97/1207466697.db2.gz FCASNYPNIQYFLC-KZIZELGASA-N 2 1 363.502 0.809 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001188970863 1207492887 /nfs/dbraw/zinc/49/28/87/1207492887.db2.gz OGDNWPUUONIVMN-GVDBMIGSSA-N 2 1 361.490 0.119 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188971452 1207493216 /nfs/dbraw/zinc/49/32/16/1207493216.db2.gz TYYLZNWBIZPKGX-GOEBONIOSA-N 2 1 359.474 0.860 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188971452 1207493221 /nfs/dbraw/zinc/49/32/21/1207493221.db2.gz TYYLZNWBIZPKGX-GOEBONIOSA-N 2 1 359.474 0.860 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001188979285 1207496658 /nfs/dbraw/zinc/49/66/58/1207496658.db2.gz NRJJGXHGUZWKOZ-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001189471978 1207552012 /nfs/dbraw/zinc/55/20/12/1207552012.db2.gz YUOWTJDRTBTSEA-JKSUJKDBSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544241 1207564904 /nfs/dbraw/zinc/56/49/04/1207564904.db2.gz NKAXZADUNUCMBH-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544241 1207564911 /nfs/dbraw/zinc/56/49/11/1207564911.db2.gz NKAXZADUNUCMBH-DOTOQJQBSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544932 1207565139 /nfs/dbraw/zinc/56/51/39/1207565139.db2.gz UPKMZDMXZLSVSP-DOTOQJQBSA-N 2 1 366.506 0.108 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189544932 1207565144 /nfs/dbraw/zinc/56/51/44/1207565144.db2.gz UPKMZDMXZLSVSP-DOTOQJQBSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786209 1207600411 /nfs/dbraw/zinc/60/04/11/1207600411.db2.gz APGURXCAHZOLRG-OKZBNKHCSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786209 1207600422 /nfs/dbraw/zinc/60/04/22/1207600422.db2.gz APGURXCAHZOLRG-OKZBNKHCSA-N 2 1 366.506 0.014 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810839 1207603585 /nfs/dbraw/zinc/60/35/85/1207603585.db2.gz JLAVXWGKWNIWHJ-ZWKOTPCHSA-N 2 1 363.506 0.556 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001189810962 1207603610 /nfs/dbraw/zinc/60/36/10/1207603610.db2.gz OYZZPBYBQCLBRN-JKSUJKDBSA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001189810962 1207603612 /nfs/dbraw/zinc/60/36/12/1207603612.db2.gz OYZZPBYBQCLBRN-JKSUJKDBSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820062 1207605303 /nfs/dbraw/zinc/60/53/03/1207605303.db2.gz MSFQRPOSWDCEMY-HRCADAONSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820163 1207606345 /nfs/dbraw/zinc/60/63/45/1207606345.db2.gz SWHSTVLBXKIAOP-IXDOHACOSA-N 2 1 368.522 0.353 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157416 1207654170 /nfs/dbraw/zinc/65/41/70/1207654170.db2.gz HYBNBDVNHDTFNL-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157416 1207654179 /nfs/dbraw/zinc/65/41/79/1207654179.db2.gz HYBNBDVNHDTFNL-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157416 1207654185 /nfs/dbraw/zinc/65/41/85/1207654185.db2.gz HYBNBDVNHDTFNL-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157416 1207654191 /nfs/dbraw/zinc/65/41/91/1207654191.db2.gz HYBNBDVNHDTFNL-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001190157416 1207654195 /nfs/dbraw/zinc/65/41/95/1207654195.db2.gz HYBNBDVNHDTFNL-IPMKNSEASA-N 2 1 370.497 0.787 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001190178022 1207657080 /nfs/dbraw/zinc/65/70/80/1207657080.db2.gz URRCCCCPZLPHRY-YTQUADARSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001190178022 1207657083 /nfs/dbraw/zinc/65/70/83/1207657083.db2.gz URRCCCCPZLPHRY-YTQUADARSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001190238319 1207666692 /nfs/dbraw/zinc/66/66/92/1207666692.db2.gz KYBRTOYPJOZLLS-HLLBOEOZSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001190238319 1207666697 /nfs/dbraw/zinc/66/66/97/1207666697.db2.gz KYBRTOYPJOZLLS-HLLBOEOZSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCc3ccco3)C2)CC[NH+]1C ZINC001190238319 1207666704 /nfs/dbraw/zinc/66/67/04/1207666704.db2.gz KYBRTOYPJOZLLS-HLLBOEOZSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCc3ccco3)C2)CC[NH+]1C ZINC001190238319 1207666707 /nfs/dbraw/zinc/66/67/07/1207666707.db2.gz KYBRTOYPJOZLLS-HLLBOEOZSA-N 2 1 362.474 0.769 20 0 FCADMP CN1CCN(C(=O)NCC[N@@H+](C)C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775430748 1207751947 /nfs/dbraw/zinc/75/19/47/1207751947.db2.gz QOEUUBZYINMCBK-OAHLLOKOSA-N 2 1 369.510 0.931 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738150 1207886521 /nfs/dbraw/zinc/88/65/21/1207886521.db2.gz OSGBDMCZRLWZSQ-FGTMMUONSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738150 1207886522 /nfs/dbraw/zinc/88/65/22/1207886522.db2.gz OSGBDMCZRLWZSQ-FGTMMUONSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738150 1207886525 /nfs/dbraw/zinc/88/65/25/1207886525.db2.gz OSGBDMCZRLWZSQ-FGTMMUONSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738150 1207886527 /nfs/dbraw/zinc/88/65/27/1207886527.db2.gz OSGBDMCZRLWZSQ-FGTMMUONSA-N 2 1 369.506 0.216 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)CCC1 ZINC001193774021 1207887870 /nfs/dbraw/zinc/88/78/70/1207887870.db2.gz FYGWGRXXIKWOBG-BRWVUGGUSA-N 2 1 365.449 0.505 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193781165 1207888967 /nfs/dbraw/zinc/88/89/67/1207888967.db2.gz JCXIGMLMKGWXME-GUDVDZBRSA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193781165 1207888969 /nfs/dbraw/zinc/88/89/69/1207888969.db2.gz JCXIGMLMKGWXME-GUDVDZBRSA-N 2 1 361.486 0.835 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193791188 1207889184 /nfs/dbraw/zinc/88/91/84/1207889184.db2.gz FKYFGBOXPRMWST-GUDVDZBRSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC001193791188 1207889185 /nfs/dbraw/zinc/88/91/85/1207889185.db2.gz FKYFGBOXPRMWST-GUDVDZBRSA-N 2 1 361.486 0.875 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O)C1CC1 ZINC001193791951 1207889416 /nfs/dbraw/zinc/88/94/16/1207889416.db2.gz ULGJGNWMNNYKQH-KZNAEPCWSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O)C1CC1 ZINC001193791951 1207889418 /nfs/dbraw/zinc/88/94/18/1207889418.db2.gz ULGJGNWMNNYKQH-KZNAEPCWSA-N 2 1 365.449 0.706 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cc1 ZINC001193805598 1207891408 /nfs/dbraw/zinc/89/14/08/1207891408.db2.gz PVGARDKACFYFJQ-RTBURBONSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)cc1 ZINC001193805598 1207891410 /nfs/dbraw/zinc/89/14/10/1207891410.db2.gz PVGARDKACFYFJQ-RTBURBONSA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001193805598 1207891411 /nfs/dbraw/zinc/89/14/11/1207891411.db2.gz PVGARDKACFYFJQ-RTBURBONSA-N 2 1 361.486 0.883 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273665722 1207893310 /nfs/dbraw/zinc/89/33/10/1207893310.db2.gz CRYMESLUBFHKML-UHFFFAOYSA-N 2 1 362.478 0.070 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746690 1207972646 /nfs/dbraw/zinc/97/26/46/1207972646.db2.gz YWAIBACDTILLAK-SJLPKXTDSA-N 2 1 364.490 0.740 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746690 1207972647 /nfs/dbraw/zinc/97/26/47/1207972647.db2.gz YWAIBACDTILLAK-SJLPKXTDSA-N 2 1 364.490 0.740 20 0 FCADMP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831919 1207978253 /nfs/dbraw/zinc/97/82/53/1207978253.db2.gz IVWKFBGNOAHGDT-PDTHQLTOSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C/CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831919 1207978255 /nfs/dbraw/zinc/97/82/55/1207978255.db2.gz IVWKFBGNOAHGDT-PDTHQLTOSA-N 2 1 363.502 0.757 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195828934 1208042300 /nfs/dbraw/zinc/04/23/00/1208042300.db2.gz KYCZRGRFXSPLPM-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195828934 1208042303 /nfs/dbraw/zinc/04/23/03/1208042303.db2.gz KYCZRGRFXSPLPM-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)n1 ZINC001196206277 1208066351 /nfs/dbraw/zinc/06/63/51/1208066351.db2.gz BBXSYFMGZJKMEM-HZPDHXFCSA-N 2 1 366.510 0.034 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)n1 ZINC001196206277 1208066355 /nfs/dbraw/zinc/06/63/55/1208066355.db2.gz BBXSYFMGZJKMEM-HZPDHXFCSA-N 2 1 366.510 0.034 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196206277 1208066358 /nfs/dbraw/zinc/06/63/58/1208066358.db2.gz BBXSYFMGZJKMEM-HZPDHXFCSA-N 2 1 366.510 0.034 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196206277 1208066361 /nfs/dbraw/zinc/06/63/61/1208066361.db2.gz BBXSYFMGZJKMEM-HZPDHXFCSA-N 2 1 366.510 0.034 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001196667300 1208100545 /nfs/dbraw/zinc/10/05/45/1208100545.db2.gz NMRLEFGHPKCHOO-BRWVUGGUSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001196667300 1208100546 /nfs/dbraw/zinc/10/05/46/1208100546.db2.gz NMRLEFGHPKCHOO-BRWVUGGUSA-N 2 1 364.490 0.985 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196920114 1208118241 /nfs/dbraw/zinc/11/82/41/1208118241.db2.gz RRMPUONPSQYCPQ-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196920114 1208118245 /nfs/dbraw/zinc/11/82/45/1208118245.db2.gz RRMPUONPSQYCPQ-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939521 1208123826 /nfs/dbraw/zinc/12/38/26/1208123826.db2.gz KQACPQGVLHDJBH-RTBURBONSA-N 2 1 361.486 0.633 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939521 1208123829 /nfs/dbraw/zinc/12/38/29/1208123829.db2.gz KQACPQGVLHDJBH-RTBURBONSA-N 2 1 361.486 0.633 20 0 FCADMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946642 1208124017 /nfs/dbraw/zinc/12/40/17/1208124017.db2.gz NVSCVYXNLVNWNK-BHIYHBOVSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946642 1208124019 /nfs/dbraw/zinc/12/40/19/1208124019.db2.gz NVSCVYXNLVNWNK-BHIYHBOVSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196953943 1208125012 /nfs/dbraw/zinc/12/50/12/1208125012.db2.gz LMMNLXVLRWCCCP-QXAKKESOSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196953943 1208125016 /nfs/dbraw/zinc/12/50/16/1208125016.db2.gz LMMNLXVLRWCCCP-QXAKKESOSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320402 1208153508 /nfs/dbraw/zinc/15/35/08/1208153508.db2.gz ZCODDJVMXINDHV-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@H]1O ZINC001197826418 1208201820 /nfs/dbraw/zinc/20/18/20/1208201820.db2.gz WOANDWFAMYNCLN-FGTMMUONSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1O ZINC001197826418 1208201826 /nfs/dbraw/zinc/20/18/26/1208201826.db2.gz WOANDWFAMYNCLN-FGTMMUONSA-N 2 1 365.449 0.553 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001198003698 1208210877 /nfs/dbraw/zinc/21/08/77/1208210877.db2.gz DVAFMHDGCINCBE-IAGOWNOFSA-N 2 1 363.506 0.541 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001198003698 1208210880 /nfs/dbraw/zinc/21/08/80/1208210880.db2.gz DVAFMHDGCINCBE-IAGOWNOFSA-N 2 1 363.506 0.541 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001198003698 1208210881 /nfs/dbraw/zinc/21/08/81/1208210881.db2.gz DVAFMHDGCINCBE-IAGOWNOFSA-N 2 1 363.506 0.541 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001198003698 1208210884 /nfs/dbraw/zinc/21/08/84/1208210884.db2.gz DVAFMHDGCINCBE-IAGOWNOFSA-N 2 1 363.506 0.541 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001198028836 1208215661 /nfs/dbraw/zinc/21/56/61/1208215661.db2.gz JIECMTDQONDIEC-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001198028836 1208215664 /nfs/dbraw/zinc/21/56/64/1208215664.db2.gz JIECMTDQONDIEC-IPMKNSEASA-N 2 1 363.502 0.483 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729140 1208283836 /nfs/dbraw/zinc/28/38/36/1208283836.db2.gz BYPVHZSFVOXIGP-BRWVUGGUSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729140 1208283841 /nfs/dbraw/zinc/28/38/41/1208283841.db2.gz BYPVHZSFVOXIGP-BRWVUGGUSA-N 2 1 368.522 0.458 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199056958 1208314714 /nfs/dbraw/zinc/31/47/14/1208314714.db2.gz BLQALCFIUVSXMI-QZTJIDSGSA-N 2 1 363.506 0.537 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104349 1208318289 /nfs/dbraw/zinc/31/82/89/1208318289.db2.gz KUNCCUXEBBQKJA-IXDOHACOSA-N 2 1 371.428 0.500 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103862 1208318624 /nfs/dbraw/zinc/31/86/24/1208318624.db2.gz DDPNSTCVOOUNLH-GVDBMIGSSA-N 2 1 368.522 0.279 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111896 1208321805 /nfs/dbraw/zinc/32/18/05/1208321805.db2.gz RCHHXZVZSYOVOB-IPMKNSEASA-N 2 1 363.502 0.746 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111896 1208321806 /nfs/dbraw/zinc/32/18/06/1208321806.db2.gz RCHHXZVZSYOVOB-IPMKNSEASA-N 2 1 363.502 0.746 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001220764855 1225060893 /nfs/dbraw/zinc/06/08/93/1225060893.db2.gz ZRCCJPBREPPDFM-MSOLQXFVSA-N 2 1 371.522 0.465 20 0 FCADMP C[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273834293 1208409344 /nfs/dbraw/zinc/40/93/44/1208409344.db2.gz CMYWYXXZDOVPCX-SJORKVTESA-N 2 1 360.502 0.483 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001489207644 1208672644 /nfs/dbraw/zinc/67/26/44/1208672644.db2.gz WHAKGBNLXGZLCR-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001489207644 1208672650 /nfs/dbraw/zinc/67/26/50/1208672650.db2.gz WHAKGBNLXGZLCR-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001489207644 1208672656 /nfs/dbraw/zinc/67/26/56/1208672656.db2.gz WHAKGBNLXGZLCR-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001220806648 1225082287 /nfs/dbraw/zinc/08/22/87/1225082287.db2.gz IQIPXIRBBAIOAJ-SJORKVTESA-N 2 1 362.474 0.179 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001220806648 1225082293 /nfs/dbraw/zinc/08/22/93/1225082293.db2.gz IQIPXIRBBAIOAJ-SJORKVTESA-N 2 1 362.474 0.179 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220821823 1225087865 /nfs/dbraw/zinc/08/78/65/1225087865.db2.gz HMVMVTWBNIAVPE-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220821823 1225087871 /nfs/dbraw/zinc/08/78/71/1225087871.db2.gz HMVMVTWBNIAVPE-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220821823 1225087884 /nfs/dbraw/zinc/08/78/84/1225087884.db2.gz HMVMVTWBNIAVPE-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001220821823 1225087893 /nfs/dbraw/zinc/08/78/93/1225087893.db2.gz HMVMVTWBNIAVPE-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001489589380 1209008862 /nfs/dbraw/zinc/00/88/62/1209008862.db2.gz DSDZEEYGHSKGRW-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001489592281 1209014163 /nfs/dbraw/zinc/01/41/63/1209014163.db2.gz PBOMWJNSOHEJEJ-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001489592281 1209014166 /nfs/dbraw/zinc/01/41/66/1209014166.db2.gz PBOMWJNSOHEJEJ-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001489592281 1209014171 /nfs/dbraw/zinc/01/41/71/1209014171.db2.gz PBOMWJNSOHEJEJ-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220914870 1225137950 /nfs/dbraw/zinc/13/79/50/1225137950.db2.gz CZSAOBZGWOLSJR-XIRDDKMYSA-N 2 1 361.490 0.650 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220914870 1225137952 /nfs/dbraw/zinc/13/79/52/1225137952.db2.gz CZSAOBZGWOLSJR-XIRDDKMYSA-N 2 1 361.490 0.650 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cn1 ZINC000851684156 1209511189 /nfs/dbraw/zinc/51/11/89/1209511189.db2.gz BAAGIWGGQXIKBZ-UHFFFAOYSA-N 2 1 356.430 0.580 20 0 FCADMP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220920813 1225141191 /nfs/dbraw/zinc/14/11/91/1225141191.db2.gz OVXGQCCPUPCVPA-ZBFHGGJFSA-N 2 1 368.522 0.768 20 0 FCADMP O=C1OCCN1[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852437187 1209550629 /nfs/dbraw/zinc/55/06/29/1209550629.db2.gz VEWMFMQSJAEIOP-HZPDHXFCSA-N 2 1 366.462 0.820 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000852922523 1209578195 /nfs/dbraw/zinc/57/81/95/1209578195.db2.gz YQOBZROHBOJWSS-QYZOEREBSA-N 2 1 370.497 0.582 20 0 FCADMP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935911 1225148348 /nfs/dbraw/zinc/14/83/48/1225148348.db2.gz ANKVPYZTUQOQQB-MSOLQXFVSA-N 3 1 358.486 0.203 20 0 FCADMP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220935911 1225148357 /nfs/dbraw/zinc/14/83/57/1225148357.db2.gz ANKVPYZTUQOQQB-MSOLQXFVSA-N 3 1 358.486 0.203 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665097 1209591719 /nfs/dbraw/zinc/59/17/19/1209591719.db2.gz LLWDBOYNKJXJBK-OAGGEKHMSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665097 1209591723 /nfs/dbraw/zinc/59/17/23/1209591723.db2.gz LLWDBOYNKJXJBK-OAGGEKHMSA-N 2 1 365.522 0.900 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861573571 1209871832 /nfs/dbraw/zinc/87/18/32/1209871832.db2.gz JLXKVNKQAXUCCE-FGTMMUONSA-N 2 1 366.506 0.650 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605130 1209981388 /nfs/dbraw/zinc/98/13/88/1209981388.db2.gz NCNBEBOXOLLBRS-BJWYYQGGSA-N 2 1 366.481 0.526 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](F)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000865605130 1209981394 /nfs/dbraw/zinc/98/13/94/1209981394.db2.gz NCNBEBOXOLLBRS-BJWYYQGGSA-N 2 1 366.481 0.526 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H](F)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000865605130 1209981401 /nfs/dbraw/zinc/98/14/01/1209981401.db2.gz NCNBEBOXOLLBRS-BJWYYQGGSA-N 2 1 366.481 0.526 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868050059 1210040235 /nfs/dbraw/zinc/04/02/35/1210040235.db2.gz BTVUZIJYSXZVBF-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868050059 1210040236 /nfs/dbraw/zinc/04/02/36/1210040236.db2.gz BTVUZIJYSXZVBF-RDJZCZTQSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC001221006795 1225183479 /nfs/dbraw/zinc/18/34/79/1225183479.db2.gz MRJCDTITHUYYDH-ULQDDVLXSA-N 2 1 369.554 0.587 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000874975975 1210324008 /nfs/dbraw/zinc/32/40/08/1210324008.db2.gz IOZMRYWPMROYRK-UHFFFAOYSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000875067684 1210333954 /nfs/dbraw/zinc/33/39/54/1210333954.db2.gz ABUKZMBZKKFIKF-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875155456 1210343055 /nfs/dbraw/zinc/34/30/55/1210343055.db2.gz AVQMSUSZSFNJSX-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000875334012 1210366398 /nfs/dbraw/zinc/36/63/98/1210366398.db2.gz JFGNOEQQZSSJJQ-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000875334012 1210366402 /nfs/dbraw/zinc/36/64/02/1210366402.db2.gz JFGNOEQQZSSJJQ-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000875487944 1210376506 /nfs/dbraw/zinc/37/65/06/1210376506.db2.gz JUWONOLLVPDDMJ-UHFFFAOYSA-N 2 1 369.554 0.766 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876755341 1210428330 /nfs/dbraw/zinc/42/83/30/1210428330.db2.gz XUHIRSSZGPVCGE-ZACQAIPSSA-N 2 1 361.490 0.787 20 0 FCADMP CN1CC[NH+](C2CCN(Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)CC1 ZINC000877747122 1210449323 /nfs/dbraw/zinc/44/93/23/1210449323.db2.gz ANDVKKQSOVRIIG-UHFFFAOYSA-N 2 1 373.549 0.440 20 0 FCADMP O=C(NCCO)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000879402115 1210480193 /nfs/dbraw/zinc/48/01/93/1210480193.db2.gz FXQHIWDSFDBPBA-UHFFFAOYSA-N 2 1 361.486 0.839 20 0 FCADMP CONC(=O)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000879924347 1210505043 /nfs/dbraw/zinc/50/50/43/1210505043.db2.gz PXRNRLRJHQXKCL-KRWDZBQOSA-N 2 1 362.474 0.795 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091060 1225217249 /nfs/dbraw/zinc/21/72/49/1225217249.db2.gz AHOCWCDWSLWOAX-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091060 1225217256 /nfs/dbraw/zinc/21/72/56/1225217256.db2.gz AHOCWCDWSLWOAX-SQNIBIBYSA-N 2 1 363.506 0.244 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(C(=O)N2CCOCC2)c1 ZINC000882581169 1210626778 /nfs/dbraw/zinc/62/67/78/1210626778.db2.gz PKLKXZBSHCBQHC-INIZCTEOSA-N 2 1 363.506 0.660 20 0 FCADMP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883083173 1210651337 /nfs/dbraw/zinc/65/13/37/1210651337.db2.gz CHMDZZASNNGRFN-SFHVURJKSA-N 2 1 367.538 0.568 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C1CC1 ZINC000883285287 1210660884 /nfs/dbraw/zinc/66/08/84/1210660884.db2.gz LHCXCGRSIDDJFJ-UHFFFAOYSA-N 2 1 365.522 0.986 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883331898 1210661947 /nfs/dbraw/zinc/66/19/47/1210661947.db2.gz JFNAMQNIVGBXBS-FGTMMUONSA-N 2 1 366.506 0.792 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000883308095 1210662318 /nfs/dbraw/zinc/66/23/18/1210662318.db2.gz HZRRAWBCKJWTMK-KRWDZBQOSA-N 2 1 361.490 0.871 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000883603707 1210672908 /nfs/dbraw/zinc/67/29/08/1210672908.db2.gz BMAZOOWBZIKPIH-FUHWJXTLSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883606127 1210673834 /nfs/dbraw/zinc/67/38/34/1210673834.db2.gz JNHCXRVKRVICGK-RHSMWYFYSA-N 2 1 359.474 0.715 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000883645107 1210678653 /nfs/dbraw/zinc/67/86/53/1210678653.db2.gz ABZVDIMBBASZNL-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000883645107 1210678657 /nfs/dbraw/zinc/67/86/57/1210678657.db2.gz ABZVDIMBBASZNL-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000883655315 1210681244 /nfs/dbraw/zinc/68/12/44/1210681244.db2.gz AKAMSTOVBJSBFP-SJLPKXTDSA-N 2 1 374.485 0.721 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884218347 1210724268 /nfs/dbraw/zinc/72/42/68/1210724268.db2.gz LZNJDWFRBIWFPD-QGZVFWFLSA-N 2 1 371.485 0.707 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221587 1210724380 /nfs/dbraw/zinc/72/43/80/1210724380.db2.gz VNNLDTVNEVHLLL-QGZVFWFLSA-N 2 1 372.517 0.390 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221587 1210724383 /nfs/dbraw/zinc/72/43/83/1210724383.db2.gz VNNLDTVNEVHLLL-QGZVFWFLSA-N 2 1 372.517 0.390 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000884326919 1210729898 /nfs/dbraw/zinc/72/98/98/1210729898.db2.gz DVFZEGNTYMHLOJ-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000884326919 1210729902 /nfs/dbraw/zinc/72/99/02/1210729902.db2.gz DVFZEGNTYMHLOJ-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000884486566 1210738036 /nfs/dbraw/zinc/73/80/36/1210738036.db2.gz ZUPKCMGPERHGAK-YOEHRIQHSA-N 2 1 362.474 0.625 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884508812 1210741004 /nfs/dbraw/zinc/74/10/04/1210741004.db2.gz PGQKXFASMSZNNE-UHFFFAOYSA-N 2 1 355.442 0.660 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884532779 1210745911 /nfs/dbraw/zinc/74/59/11/1210745911.db2.gz QDTYEPGJFSPKOW-DKIMLUQUSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000884545087 1210747400 /nfs/dbraw/zinc/74/74/00/1210747400.db2.gz YDDDDEWLPKAGJQ-KXBFYZLASA-N 2 1 368.522 0.294 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604993 1210761057 /nfs/dbraw/zinc/76/10/57/1210761057.db2.gz SRTBIZOBTLPTPT-OWLYRPNTSA-N 2 1 356.470 0.586 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000884604766 1210761095 /nfs/dbraw/zinc/76/10/95/1210761095.db2.gz OHIIAUAGZYBFBT-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000884618218 1210763609 /nfs/dbraw/zinc/76/36/09/1210763609.db2.gz YWMIHXAMKMCIKY-KDOFPFPSSA-N 2 1 374.485 0.767 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000884618218 1210763617 /nfs/dbraw/zinc/76/36/17/1210763617.db2.gz YWMIHXAMKMCIKY-KDOFPFPSSA-N 2 1 374.485 0.767 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000884661567 1210774005 /nfs/dbraw/zinc/77/40/05/1210774005.db2.gz VEVKDMVTCMGTSO-DLBZAZTESA-N 2 1 362.449 0.727 20 0 FCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884668832 1210775063 /nfs/dbraw/zinc/77/50/63/1210775063.db2.gz DNEVHTMJWXOTOZ-XHSDSOJGSA-N 2 1 360.458 0.886 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884670031 1210775686 /nfs/dbraw/zinc/77/56/86/1210775686.db2.gz NIIVSQXZWKUGRV-MRXNPFEDSA-N 2 1 367.538 0.106 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884670030 1210776334 /nfs/dbraw/zinc/77/63/34/1210776334.db2.gz NIIVSQXZWKUGRV-INIZCTEOSA-N 2 1 367.538 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678813 1210779097 /nfs/dbraw/zinc/77/90/97/1210779097.db2.gz MWUXVEVUWMTVCA-OLMNPRSZSA-N 2 1 358.486 0.724 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000884681718 1210779311 /nfs/dbraw/zinc/77/93/11/1210779311.db2.gz DIUZEHMMBNKTNW-ZWKOTPCHSA-N 2 1 358.486 0.944 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884687703 1210781244 /nfs/dbraw/zinc/78/12/44/1210781244.db2.gz FWXRLZBLIYAYOD-FXAWDEMLSA-N 2 1 358.486 0.693 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884701876 1210783337 /nfs/dbraw/zinc/78/33/37/1210783337.db2.gz QQVINMKQJVEBAI-RYQLBKOJSA-N 2 1 360.502 0.970 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694346 1210783511 /nfs/dbraw/zinc/78/35/11/1210783511.db2.gz JXPOIRBRXKRTGG-MSOLQXFVSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000884697897 1210783786 /nfs/dbraw/zinc/78/37/86/1210783786.db2.gz GNHZWWXZPSYYAN-DOTOQJQBSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000884697897 1210783795 /nfs/dbraw/zinc/78/37/95/1210783795.db2.gz GNHZWWXZPSYYAN-DOTOQJQBSA-N 2 1 362.474 0.023 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000884707930 1210784744 /nfs/dbraw/zinc/78/47/44/1210784744.db2.gz FVTKUOGZTMSCGW-INIZCTEOSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000884707930 1210784750 /nfs/dbraw/zinc/78/47/50/1210784750.db2.gz FVTKUOGZTMSCGW-INIZCTEOSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000884716609 1210786832 /nfs/dbraw/zinc/78/68/32/1210786832.db2.gz CWUXWPSBQNTYNR-NJAFHUGGSA-N 2 1 358.486 0.800 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000884774764 1210793438 /nfs/dbraw/zinc/79/34/38/1210793438.db2.gz RNOZNUJTQZCGQG-UWWQBHOKSA-N 2 1 374.485 0.625 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884796567 1210796078 /nfs/dbraw/zinc/79/60/78/1210796078.db2.gz JCPMFKILAKTQSD-WBVHZDCISA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884796567 1210796090 /nfs/dbraw/zinc/79/60/90/1210796090.db2.gz JCPMFKILAKTQSD-WBVHZDCISA-N 2 1 362.474 0.036 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)C1 ZINC000884787604 1210796155 /nfs/dbraw/zinc/79/61/55/1210796155.db2.gz WYSYANYWVXALMQ-AEFFLSMTSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)C1 ZINC000884787604 1210796157 /nfs/dbraw/zinc/79/61/57/1210796157.db2.gz WYSYANYWVXALMQ-AEFFLSMTSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833035 1210800020 /nfs/dbraw/zinc/80/00/20/1210800020.db2.gz FIKFFAQDCCXLMM-JJXOGSGTSA-N 2 1 370.497 0.820 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000884839145 1210800761 /nfs/dbraw/zinc/80/07/61/1210800761.db2.gz ZREPVCORFMICPQ-UHFFFAOYSA-N 2 1 358.486 0.891 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000884840197 1210800986 /nfs/dbraw/zinc/80/09/86/1210800986.db2.gz GCFCXBHHQUEUBY-CABCVRRESA-N 2 1 358.486 0.890 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000884840197 1210800987 /nfs/dbraw/zinc/80/09/87/1210800987.db2.gz GCFCXBHHQUEUBY-CABCVRRESA-N 2 1 358.486 0.890 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000884982636 1210806589 /nfs/dbraw/zinc/80/65/89/1210806589.db2.gz GXTYIBDYDFBRME-ZWKOTPCHSA-N 2 1 374.485 0.262 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000884983405 1210806802 /nfs/dbraw/zinc/80/68/02/1210806802.db2.gz QWIDVRPBSZTWOL-QZTJIDSGSA-N 2 1 358.486 0.753 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000884983472 1210806808 /nfs/dbraw/zinc/80/68/08/1210806808.db2.gz JSWWJVWPFDBDRY-FUHWJXTLSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000884983472 1210806811 /nfs/dbraw/zinc/80/68/11/1210806811.db2.gz JSWWJVWPFDBDRY-FUHWJXTLSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000884984427 1210807427 /nfs/dbraw/zinc/80/74/27/1210807427.db2.gz YYDLUURBPWOFFM-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000884984427 1210807428 /nfs/dbraw/zinc/80/74/28/1210807428.db2.gz YYDLUURBPWOFFM-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885009273 1210807620 /nfs/dbraw/zinc/80/76/20/1210807620.db2.gz OWPIUDVVLDHPAA-MUJYYYPQSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)c1 ZINC000885018748 1210808875 /nfs/dbraw/zinc/80/88/75/1210808875.db2.gz RVIKQSRZIUJFOP-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)c1 ZINC000885018748 1210808878 /nfs/dbraw/zinc/80/88/78/1210808878.db2.gz RVIKQSRZIUJFOP-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018103 1210808912 /nfs/dbraw/zinc/80/89/12/1210808912.db2.gz IRFPEPCJIMBRHD-ROUUACIJSA-N 2 1 374.485 0.132 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000885018103 1210808914 /nfs/dbraw/zinc/80/89/14/1210808914.db2.gz IRFPEPCJIMBRHD-ROUUACIJSA-N 2 1 374.485 0.132 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137884 1210811885 /nfs/dbraw/zinc/81/18/85/1210811885.db2.gz KPLQCHNUPMGYMJ-GJZGRUSLSA-N 2 1 366.506 0.250 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885152564 1210813092 /nfs/dbraw/zinc/81/30/92/1210813092.db2.gz QYIVMXMVWZFSNF-SJORKVTESA-N 2 1 358.486 0.806 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000885152725 1210813106 /nfs/dbraw/zinc/81/31/06/1210813106.db2.gz VJVGMFOFSZHODT-QGZVFWFLSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)n2)CC1 ZINC000885876764 1210821102 /nfs/dbraw/zinc/82/11/02/1210821102.db2.gz XTSJJWBYBYWUMU-KRWDZBQOSA-N 2 1 373.501 0.817 20 0 FCADMP CCN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000886994428 1210842116 /nfs/dbraw/zinc/84/21/16/1210842116.db2.gz WILZJSBHTZAXCO-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221154484 1225242944 /nfs/dbraw/zinc/24/29/44/1225242944.db2.gz OAMUGMXEMXJULY-MSOLQXFVSA-N 2 1 363.506 0.390 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887130586 1210848983 /nfs/dbraw/zinc/84/89/83/1210848983.db2.gz HFIRQRVKZGNSDC-HOTGVXAUSA-N 2 1 359.474 0.671 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887130586 1210848985 /nfs/dbraw/zinc/84/89/85/1210848985.db2.gz HFIRQRVKZGNSDC-HOTGVXAUSA-N 2 1 359.474 0.671 20 0 FCADMP O=C1C[C@@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306002 1210854282 /nfs/dbraw/zinc/85/42/82/1210854282.db2.gz GDCHQTLTNSBYTC-IPMKNSEASA-N 2 1 371.481 0.950 20 0 FCADMP O=C1C[C@@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306002 1210854284 /nfs/dbraw/zinc/85/42/84/1210854284.db2.gz GDCHQTLTNSBYTC-IPMKNSEASA-N 2 1 371.481 0.950 20 0 FCADMP O=C1C[C@@H]([NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C(=O)N1CCCO ZINC000887306002 1210854287 /nfs/dbraw/zinc/85/42/87/1210854287.db2.gz GDCHQTLTNSBYTC-IPMKNSEASA-N 2 1 371.481 0.950 20 0 FCADMP [NH3+][C@H]1CCCN(Cc2cn(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451469 1210858614 /nfs/dbraw/zinc/85/86/14/1210858614.db2.gz NHTFQVVDSPNLPL-AZUAARDMSA-N 2 1 370.501 0.838 20 0 FCADMP C[NH+]1CCC(N2CCC(N3C(=O)[C@@H]4[C@@H](O)CCCN4C3=O)CC2)CC1 ZINC000349350740 1210866147 /nfs/dbraw/zinc/86/61/47/1210866147.db2.gz VZEUHXWHQKBBFG-HOTGVXAUSA-N 2 1 350.463 0.333 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083338 1210875934 /nfs/dbraw/zinc/87/59/34/1210875934.db2.gz DPWGNKBZAPTKTR-NVXWUHKLSA-N 2 1 362.518 0.776 20 0 FCADMP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274203765 1210911832 /nfs/dbraw/zinc/91/18/32/1210911832.db2.gz PCMJRWTZRAOHBG-IBGZPJMESA-N 2 1 366.550 0.709 20 0 FCADMP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274203765 1210911836 /nfs/dbraw/zinc/91/18/36/1210911836.db2.gz PCMJRWTZRAOHBG-IBGZPJMESA-N 2 1 366.550 0.709 20 0 FCADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756683 1210948148 /nfs/dbraw/zinc/94/81/48/1210948148.db2.gz OEODFXFNVRAUBO-JKSUJKDBSA-N 2 1 372.473 0.894 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)ccn2)CC1 ZINC000889770693 1210950249 /nfs/dbraw/zinc/95/02/49/1210950249.db2.gz UXUQZDYBCKNNNW-ROUUACIJSA-N 2 1 373.501 0.505 20 0 FCADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)ccn2)CC1 ZINC000889770693 1210950250 /nfs/dbraw/zinc/95/02/50/1210950250.db2.gz UXUQZDYBCKNNNW-ROUUACIJSA-N 2 1 373.501 0.505 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3nnnn3C)CC2)CC1 ZINC000890089164 1210963865 /nfs/dbraw/zinc/96/38/65/1210963865.db2.gz VIESKKYOMXIACS-UHFFFAOYSA-N 2 1 363.510 0.455 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134546 1210966961 /nfs/dbraw/zinc/96/69/61/1210966961.db2.gz ZVHATPZGCRWEIH-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890134546 1210966965 /nfs/dbraw/zinc/96/69/65/1210966965.db2.gz ZVHATPZGCRWEIH-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134546 1210966968 /nfs/dbraw/zinc/96/69/68/1210966968.db2.gz ZVHATPZGCRWEIH-ROUUACIJSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134911 1210968643 /nfs/dbraw/zinc/96/86/43/1210968643.db2.gz VQFUVRKMEDSTJC-SFHVURJKSA-N 2 1 365.522 0.344 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890134911 1210968646 /nfs/dbraw/zinc/96/86/46/1210968646.db2.gz VQFUVRKMEDSTJC-SFHVURJKSA-N 2 1 365.522 0.344 20 0 FCADMP O=C(NCC[NH+]1CC=CCC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134911 1210968651 /nfs/dbraw/zinc/96/86/51/1210968651.db2.gz VQFUVRKMEDSTJC-SFHVURJKSA-N 2 1 365.522 0.344 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095404966 1210983563 /nfs/dbraw/zinc/98/35/63/1210983563.db2.gz IBPBAYAXVDJVCU-LTIDMASMSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001095404966 1210983569 /nfs/dbraw/zinc/98/35/69/1210983569.db2.gz IBPBAYAXVDJVCU-LTIDMASMSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001095404966 1210983573 /nfs/dbraw/zinc/98/35/73/1210983573.db2.gz IBPBAYAXVDJVCU-LTIDMASMSA-N 2 1 363.506 0.606 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001095404966 1210983576 /nfs/dbraw/zinc/98/35/76/1210983576.db2.gz IBPBAYAXVDJVCU-LTIDMASMSA-N 2 1 363.506 0.606 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001274419406 1211049877 /nfs/dbraw/zinc/04/98/77/1211049877.db2.gz SHVWUQTWFJKIAT-YLJYHZDGSA-N 2 1 362.518 0.731 20 0 FCADMP CCc1nnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001274521563 1211071955 /nfs/dbraw/zinc/07/19/55/1211071955.db2.gz VUWIZMWPAFQMRW-ZIAGYGMSSA-N 2 1 365.478 0.415 20 0 FCADMP CCc1nnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001274521563 1211071958 /nfs/dbraw/zinc/07/19/58/1211071958.db2.gz VUWIZMWPAFQMRW-ZIAGYGMSSA-N 2 1 365.478 0.415 20 0 FCADMP CCn1ncnc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001274519863 1211072096 /nfs/dbraw/zinc/07/20/96/1211072096.db2.gz BMZFOQONDAVPNW-HUUCEWRRSA-N 2 1 364.494 0.081 20 0 FCADMP CCn1ncnc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001274519863 1211072099 /nfs/dbraw/zinc/07/20/99/1211072099.db2.gz BMZFOQONDAVPNW-HUUCEWRRSA-N 2 1 364.494 0.081 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)C1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001221188589 1225260897 /nfs/dbraw/zinc/26/08/97/1225260897.db2.gz YDGFUYJCVSGETA-INIZCTEOSA-N 2 1 362.474 0.377 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171698 1211187820 /nfs/dbraw/zinc/18/78/20/1211187820.db2.gz NKIJGROMNCCELH-ZIFCJYIRSA-N 2 1 359.518 0.931 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171698 1211187826 /nfs/dbraw/zinc/18/78/26/1211187826.db2.gz NKIJGROMNCCELH-ZIFCJYIRSA-N 2 1 359.518 0.931 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275171698 1211187829 /nfs/dbraw/zinc/18/78/29/1211187829.db2.gz NKIJGROMNCCELH-ZIFCJYIRSA-N 2 1 359.518 0.931 20 0 FCADMP COc1ncccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380233 1211226638 /nfs/dbraw/zinc/22/66/38/1211226638.db2.gz PAZCRNOBEVGVEU-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1ncccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380233 1211226640 /nfs/dbraw/zinc/22/66/40/1211226640.db2.gz PAZCRNOBEVGVEU-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447392 1211239061 /nfs/dbraw/zinc/23/90/61/1211239061.db2.gz JTKANBQOJBEYRZ-VQIMIIECSA-N 2 1 359.474 0.963 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447392 1211239062 /nfs/dbraw/zinc/23/90/62/1211239062.db2.gz JTKANBQOJBEYRZ-VQIMIIECSA-N 2 1 359.474 0.963 20 0 FCADMP CC(C)OC(=O)CN1C[C@]2(CCN(Cc3cnccc3N)C2)OCC1=O ZINC001275446778 1211239263 /nfs/dbraw/zinc/23/92/63/1211239263.db2.gz BVQQYCIQXURXGD-GOSISDBHSA-N 2 1 362.430 0.249 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447389 1211239355 /nfs/dbraw/zinc/23/93/55/1211239355.db2.gz JTKANBQOJBEYRZ-APWZRJJASA-N 2 1 359.474 0.963 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001275447389 1211239357 /nfs/dbraw/zinc/23/93/57/1211239357.db2.gz JTKANBQOJBEYRZ-APWZRJJASA-N 2 1 359.474 0.963 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001275512711 1211253016 /nfs/dbraw/zinc/25/30/16/1211253016.db2.gz USKWBOWFBAOVNM-HXUWFJFHSA-N 2 1 366.550 0.831 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(CCCCCC(N)=O)C(=O)CO3)CC1 ZINC001275556137 1211256373 /nfs/dbraw/zinc/25/63/73/1211256373.db2.gz GYZKIONBDPHADX-UHFFFAOYSA-N 2 1 366.506 0.287 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557530 1211257581 /nfs/dbraw/zinc/25/75/81/1211257581.db2.gz ZEXQMAPSDQJMEX-LJQANCHMSA-N 2 1 366.506 0.156 20 0 FCADMP Cn1cnnc1CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736357 1211279002 /nfs/dbraw/zinc/27/90/02/1211279002.db2.gz DIJLGBVAPGXKMJ-SFHVURJKSA-N 2 1 360.462 0.156 20 0 FCADMP COC(CN1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275833559 1211293728 /nfs/dbraw/zinc/29/37/28/1211293728.db2.gz KGIGSYUFVIUIJY-IBGZPJMESA-N 2 1 369.506 0.641 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878595 1211303141 /nfs/dbraw/zinc/30/31/41/1211303141.db2.gz LTHTVXUSLCHNDC-MDZRGWNJSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275878595 1211303143 /nfs/dbraw/zinc/30/31/43/1211303143.db2.gz LTHTVXUSLCHNDC-MDZRGWNJSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275878595 1211303146 /nfs/dbraw/zinc/30/31/46/1211303146.db2.gz LTHTVXUSLCHNDC-MDZRGWNJSA-N 2 1 367.490 0.441 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2)OC ZINC001275878158 1211303799 /nfs/dbraw/zinc/30/37/99/1211303799.db2.gz ICFZQHRYRCWMHI-VQIMIIECSA-N 2 1 369.506 0.498 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2)OC ZINC001275878158 1211303803 /nfs/dbraw/zinc/30/38/03/1211303803.db2.gz ICFZQHRYRCWMHI-VQIMIIECSA-N 2 1 369.506 0.498 20 0 FCADMP COC(CN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2)OC ZINC001275878158 1211303809 /nfs/dbraw/zinc/30/38/09/1211303809.db2.gz ICFZQHRYRCWMHI-VQIMIIECSA-N 2 1 369.506 0.498 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCN(C[C@@H]4CCC(=O)N4)C3=O)CC2)C1 ZINC001275878364 1211303833 /nfs/dbraw/zinc/30/38/33/1211303833.db2.gz KHPRBZSKTAHLQX-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275879410 1211304572 /nfs/dbraw/zinc/30/45/72/1211304572.db2.gz PCVUUWWNGAZKSX-GPMSIDNRSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275879410 1211304574 /nfs/dbraw/zinc/30/45/74/1211304574.db2.gz PCVUUWWNGAZKSX-GPMSIDNRSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275879410 1211304577 /nfs/dbraw/zinc/30/45/77/1211304577.db2.gz PCVUUWWNGAZKSX-GPMSIDNRSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275879410 1211304579 /nfs/dbraw/zinc/30/45/79/1211304579.db2.gz PCVUUWWNGAZKSX-GPMSIDNRSA-N 2 1 366.506 0.143 20 0 FCADMP CCOC(=O)[C@H](C)N1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275881207 1211305572 /nfs/dbraw/zinc/30/55/72/1211305572.db2.gz XSVBJRREYVKCSS-HNNXBMFYSA-N 2 1 367.490 0.583 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001275878828 1211305804 /nfs/dbraw/zinc/30/58/04/1211305804.db2.gz LYHFNENJEVUCSB-IBGZPJMESA-N 2 1 366.506 0.158 20 0 FCADMP Cn1cnnc1CN1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001275879253 1211306275 /nfs/dbraw/zinc/30/62/75/1211306275.db2.gz PDEMZUOSJRRGBJ-MRXNPFEDSA-N 2 1 360.506 0.971 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371304403 1211335625 /nfs/dbraw/zinc/33/56/25/1211335625.db2.gz SZDGAGWQIYGIIH-BZSNNMDCSA-N 2 1 367.538 0.375 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc4cccnc4[nH]3)C2)OCC1=O ZINC001276258373 1211395765 /nfs/dbraw/zinc/39/57/65/1211395765.db2.gz AAOFDUMDGYOTPH-IBGZPJMESA-N 2 1 357.458 0.928 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)C12CCC[NH+](CCC1)C2 ZINC001095605748 1211423288 /nfs/dbraw/zinc/42/32/88/1211423288.db2.gz AAGOYDNBVUUTAT-IKGGRYGDSA-N 2 1 358.490 0.876 20 0 FCADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592028 1211438460 /nfs/dbraw/zinc/43/84/60/1211438460.db2.gz BOKGIJDNSIRDHU-DNVCBOLYSA-N 2 1 361.490 0.973 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000546588787 1211438600 /nfs/dbraw/zinc/43/86/00/1211438600.db2.gz IPGOGPRXAYRBKI-FQEVSTJZSA-N 2 1 374.485 0.446 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1=O ZINC000924472326 1211471082 /nfs/dbraw/zinc/47/10/82/1211471082.db2.gz DIEHLAUMRZBJHO-ROUUACIJSA-N 2 1 373.501 0.847 20 0 FCADMP Cc1nc(C[NH+]2CCC(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)CC2)oc1C ZINC000924618087 1211474976 /nfs/dbraw/zinc/47/49/76/1211474976.db2.gz IAALKFKRFNUGDP-HNNXBMFYSA-N 2 1 363.462 0.985 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924643206 1211476346 /nfs/dbraw/zinc/47/63/46/1211476346.db2.gz LXCJZZATVADRKJ-LSDHHAIUSA-N 2 1 360.462 0.074 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925408840 1211499320 /nfs/dbraw/zinc/49/93/20/1211499320.db2.gz BLBAVVGJNKLFMN-MRXNPFEDSA-N 2 1 367.538 0.816 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000926414842 1211547027 /nfs/dbraw/zinc/54/70/27/1211547027.db2.gz KTJZJSDWXSEBQM-QZTJIDSGSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000926414842 1211547030 /nfs/dbraw/zinc/54/70/30/1211547030.db2.gz KTJZJSDWXSEBQM-QZTJIDSGSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000926414844 1211547330 /nfs/dbraw/zinc/54/73/30/1211547330.db2.gz KTJZJSDWXSEBQM-ZWKOTPCHSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000926414844 1211547333 /nfs/dbraw/zinc/54/73/33/1211547333.db2.gz KTJZJSDWXSEBQM-ZWKOTPCHSA-N 2 1 358.486 0.569 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]c1 ZINC000927466759 1211572194 /nfs/dbraw/zinc/57/21/94/1211572194.db2.gz GFRSPBUYOAIFKE-INIZCTEOSA-N 2 1 374.489 0.750 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]c1 ZINC000927466759 1211572197 /nfs/dbraw/zinc/57/21/97/1211572197.db2.gz GFRSPBUYOAIFKE-INIZCTEOSA-N 2 1 374.489 0.750 20 0 FCADMP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CCN2C)N2CCCC2)c1 ZINC000929199641 1211622467 /nfs/dbraw/zinc/62/24/67/1211622467.db2.gz BTQOWACCGYUEFN-AEFFLSMTSA-N 2 1 374.485 0.769 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000929353107 1211632193 /nfs/dbraw/zinc/63/21/93/1211632193.db2.gz DBQJGLBZLBQRTD-SFHVURJKSA-N 2 1 358.486 0.630 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000929353107 1211632196 /nfs/dbraw/zinc/63/21/96/1211632196.db2.gz DBQJGLBZLBQRTD-SFHVURJKSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980139 1211683642 /nfs/dbraw/zinc/68/36/42/1211683642.db2.gz RLTGZUOHBHXLBI-NGFQHRJXSA-N 2 1 365.478 0.036 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980139 1211683645 /nfs/dbraw/zinc/68/36/45/1211683645.db2.gz RLTGZUOHBHXLBI-NGFQHRJXSA-N 2 1 365.478 0.036 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCc1ccco1 ZINC001110980011 1211683722 /nfs/dbraw/zinc/68/37/22/1211683722.db2.gz MXBMSCGQJYJSAE-ATLSCFEFSA-N 2 1 365.474 0.830 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522684 1211712303 /nfs/dbraw/zinc/71/23/03/1211712303.db2.gz HQEJNNLRIXIDHF-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522684 1211712306 /nfs/dbraw/zinc/71/23/06/1211712306.db2.gz HQEJNNLRIXIDHF-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000930522684 1211712310 /nfs/dbraw/zinc/71/23/10/1211712310.db2.gz HQEJNNLRIXIDHF-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000930522684 1211712318 /nfs/dbraw/zinc/71/23/18/1211712318.db2.gz HQEJNNLRIXIDHF-CGTJXYLNSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[nH+]c1 ZINC000930744258 1211720122 /nfs/dbraw/zinc/72/01/22/1211720122.db2.gz UJTONUNVEXJPBT-UHFFFAOYSA-N 2 1 359.474 0.909 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000931483210 1211757859 /nfs/dbraw/zinc/75/78/59/1211757859.db2.gz YKBFHMNCAAMMNC-GOSISDBHSA-N 3 1 362.518 0.794 20 0 FCADMP COC1(OC)CCOC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000931674143 1211770863 /nfs/dbraw/zinc/77/08/63/1211770863.db2.gz ZFIFTLNAADBBAZ-DLBZAZTESA-N 2 1 365.474 0.773 20 0 FCADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771964 /nfs/dbraw/zinc/77/19/64/1211771964.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 1 358.490 0.684 20 0 FCADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771967 /nfs/dbraw/zinc/77/19/67/1211771967.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 1 358.490 0.684 20 0 FCADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771970 /nfs/dbraw/zinc/77/19/70/1211771970.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 1 358.490 0.684 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931872510 1211775657 /nfs/dbraw/zinc/77/56/57/1211775657.db2.gz MUXWDMQZNGALIU-GOSISDBHSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931872510 1211775659 /nfs/dbraw/zinc/77/56/59/1211775659.db2.gz MUXWDMQZNGALIU-GOSISDBHSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931872510 1211775661 /nfs/dbraw/zinc/77/56/61/1211775661.db2.gz MUXWDMQZNGALIU-GOSISDBHSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC1 ZINC000931872510 1211775663 /nfs/dbraw/zinc/77/56/63/1211775663.db2.gz MUXWDMQZNGALIU-GOSISDBHSA-N 2 1 358.486 0.850 20 0 FCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000931882612 1211778210 /nfs/dbraw/zinc/77/82/10/1211778210.db2.gz NXYXNQKKRWFDAG-MRXNPFEDSA-N 2 1 362.474 0.406 20 0 FCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000931882612 1211778217 /nfs/dbraw/zinc/77/82/17/1211778217.db2.gz NXYXNQKKRWFDAG-MRXNPFEDSA-N 2 1 362.474 0.406 20 0 FCADMP Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000932621671 1211814188 /nfs/dbraw/zinc/81/41/88/1211814188.db2.gz NGJIIBIPXNJDLA-KSSFIOAISA-N 2 1 374.489 0.506 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188704 1211919302 /nfs/dbraw/zinc/91/93/02/1211919302.db2.gz DHUIXPYTIBQBFV-TVFCKZIOSA-N 2 1 371.441 0.610 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188704 1211919304 /nfs/dbraw/zinc/91/93/04/1211919304.db2.gz DHUIXPYTIBQBFV-TVFCKZIOSA-N 2 1 371.441 0.610 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)CC1 ZINC001111197972 1211924050 /nfs/dbraw/zinc/92/40/50/1211924050.db2.gz BKGBKMHXUWIEDS-SIXLDLHFSA-N 2 1 364.490 0.097 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001111197972 1211924053 /nfs/dbraw/zinc/92/40/53/1211924053.db2.gz BKGBKMHXUWIEDS-SIXLDLHFSA-N 2 1 364.490 0.097 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001095768261 1211982211 /nfs/dbraw/zinc/98/22/11/1211982211.db2.gz ATGIUEVPNJNRFQ-IKGGRYGDSA-N 2 1 355.442 0.812 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001095768261 1211982235 /nfs/dbraw/zinc/98/22/35/1211982235.db2.gz ATGIUEVPNJNRFQ-IKGGRYGDSA-N 2 1 355.442 0.812 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001095769333 1211982956 /nfs/dbraw/zinc/98/29/56/1211982956.db2.gz IHRXCGUDQJDEOM-NCOADZHNSA-N 2 1 358.446 0.171 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001095769333 1211982964 /nfs/dbraw/zinc/98/29/64/1211982964.db2.gz IHRXCGUDQJDEOM-NCOADZHNSA-N 2 1 358.446 0.171 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000947501118 1212036860 /nfs/dbraw/zinc/03/68/60/1212036860.db2.gz ZSRSYIYLUXGQGQ-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)O1 ZINC000947501118 1212036863 /nfs/dbraw/zinc/03/68/63/1212036863.db2.gz ZSRSYIYLUXGQGQ-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)O1 ZINC000947501118 1212036867 /nfs/dbraw/zinc/03/68/67/1212036867.db2.gz ZSRSYIYLUXGQGQ-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000947501118 1212036869 /nfs/dbraw/zinc/03/68/69/1212036869.db2.gz ZSRSYIYLUXGQGQ-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000968737883 1212106551 /nfs/dbraw/zinc/10/65/51/1212106551.db2.gz IJTSXFYCRDJYTK-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000968737883 1212106556 /nfs/dbraw/zinc/10/65/56/1212106556.db2.gz IJTSXFYCRDJYTK-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1nnnn1C1CC1 ZINC000188743805 1212111021 /nfs/dbraw/zinc/11/10/21/1212111021.db2.gz PQJNOWRMWOIEAG-ZDUSSCGKSA-N 2 1 364.498 0.736 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000969055318 1212250847 /nfs/dbraw/zinc/25/08/47/1212250847.db2.gz FXKKNZWCGLCSOK-IECFSIQFSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000969055318 1212250850 /nfs/dbraw/zinc/25/08/50/1212250850.db2.gz FXKKNZWCGLCSOK-IECFSIQFSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000969055318 1212250853 /nfs/dbraw/zinc/25/08/53/1212250853.db2.gz FXKKNZWCGLCSOK-IECFSIQFSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001111297600 1212479563 /nfs/dbraw/zinc/47/95/63/1212479563.db2.gz LOJYNOBZQJMLLL-XDNAFOTISA-N 2 1 363.506 0.697 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221561028 1225367946 /nfs/dbraw/zinc/36/79/46/1225367946.db2.gz UJIBOMJQVQZESY-GVDBMIGSSA-N 2 1 364.490 0.938 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221561028 1225367951 /nfs/dbraw/zinc/36/79/51/1225367951.db2.gz UJIBOMJQVQZESY-GVDBMIGSSA-N 2 1 364.490 0.938 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001007481534 1212503513 /nfs/dbraw/zinc/50/35/13/1212503513.db2.gz NGKADSHUHXYVIQ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001007481534 1212503515 /nfs/dbraw/zinc/50/35/15/1212503515.db2.gz NGKADSHUHXYVIQ-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)CC[N@H+]1C ZINC001008209273 1212660368 /nfs/dbraw/zinc/66/03/68/1212660368.db2.gz SPMQJBWJVNSDFN-BZUAXINKSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001008481334 1212705786 /nfs/dbraw/zinc/70/57/86/1212705786.db2.gz LOIUHPMYHCGMCJ-DOXZYTNZSA-N 2 1 359.474 0.791 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3cnc[nH]3)C2)C1 ZINC001008481334 1212705788 /nfs/dbraw/zinc/70/57/88/1212705788.db2.gz LOIUHPMYHCGMCJ-DOXZYTNZSA-N 2 1 359.474 0.791 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000951093999 1212759246 /nfs/dbraw/zinc/75/92/46/1212759246.db2.gz AELSCOQXDVXFGJ-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)O1 ZINC000951093999 1212759252 /nfs/dbraw/zinc/75/92/52/1212759252.db2.gz AELSCOQXDVXFGJ-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1cc(N2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111373941 1212829727 /nfs/dbraw/zinc/82/97/27/1212829727.db2.gz VFJWJKFNBXLSAK-OGWOLHLISA-N 2 1 361.490 0.881 20 0 FCADMP Cc1cc(N2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001111373941 1212829733 /nfs/dbraw/zinc/82/97/33/1212829733.db2.gz VFJWJKFNBXLSAK-OGWOLHLISA-N 2 1 361.490 0.881 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000952351791 1212942230 /nfs/dbraw/zinc/94/22/30/1212942230.db2.gz OYULJWNRGSIPPU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000952351791 1212942232 /nfs/dbraw/zinc/94/22/32/1212942232.db2.gz OYULJWNRGSIPPU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000952351791 1212942235 /nfs/dbraw/zinc/94/22/35/1212942235.db2.gz OYULJWNRGSIPPU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000952351791 1212942239 /nfs/dbraw/zinc/94/22/39/1212942239.db2.gz OYULJWNRGSIPPU-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000089925284 1213053984 /nfs/dbraw/zinc/05/39/84/1213053984.db2.gz ZFDFJMOEWKIKGF-GOSISDBHSA-N 2 1 363.506 0.766 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000954269161 1213054410 /nfs/dbraw/zinc/05/44/10/1213054410.db2.gz NJCWUTQOCUBMBM-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000954269161 1213054414 /nfs/dbraw/zinc/05/44/14/1213054414.db2.gz NJCWUTQOCUBMBM-RHSMWYFYSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221656983 1225421350 /nfs/dbraw/zinc/42/13/50/1225421350.db2.gz DLJQIYDTAFOLJZ-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221656983 1225421354 /nfs/dbraw/zinc/42/13/54/1225421354.db2.gz DLJQIYDTAFOLJZ-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221656983 1225421358 /nfs/dbraw/zinc/42/13/58/1225421358.db2.gz DLJQIYDTAFOLJZ-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221656983 1225421363 /nfs/dbraw/zinc/42/13/63/1225421363.db2.gz DLJQIYDTAFOLJZ-HZPDHXFCSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954508894 1213080457 /nfs/dbraw/zinc/08/04/57/1213080457.db2.gz DISSDWAMLWLYRL-JFIYKMOQSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954508894 1213080463 /nfs/dbraw/zinc/08/04/63/1213080463.db2.gz DISSDWAMLWLYRL-JFIYKMOQSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954508894 1213080469 /nfs/dbraw/zinc/08/04/69/1213080469.db2.gz DISSDWAMLWLYRL-JFIYKMOQSA-N 2 1 364.534 0.974 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659863 1225423101 /nfs/dbraw/zinc/42/31/01/1225423101.db2.gz ZZTNYERUIWQNFL-BPQIPLTHSA-N 2 1 362.474 0.448 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000641806042 1213216097 /nfs/dbraw/zinc/21/60/97/1213216097.db2.gz BCSWVIXHGOAVSF-KZNAEPCWSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806042 1213216100 /nfs/dbraw/zinc/21/61/00/1213216100.db2.gz BCSWVIXHGOAVSF-KZNAEPCWSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000641806042 1213216104 /nfs/dbraw/zinc/21/61/04/1213216104.db2.gz BCSWVIXHGOAVSF-KZNAEPCWSA-N 2 1 367.538 0.565 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641799306 1213216230 /nfs/dbraw/zinc/21/62/30/1213216230.db2.gz TXPARWNYYWLVDR-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641799306 1213216232 /nfs/dbraw/zinc/21/62/32/1213216232.db2.gz TXPARWNYYWLVDR-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641799306 1213216235 /nfs/dbraw/zinc/21/62/35/1213216235.db2.gz TXPARWNYYWLVDR-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000957160331 1213267023 /nfs/dbraw/zinc/26/70/23/1213267023.db2.gz PNINYYIBPHUZQA-OGWOLHLISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[NH+](C)C3CCC3)C2)O1 ZINC000957160331 1213267027 /nfs/dbraw/zinc/26/70/27/1213267027.db2.gz PNINYYIBPHUZQA-OGWOLHLISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC000957160331 1213267032 /nfs/dbraw/zinc/26/70/32/1213267032.db2.gz PNINYYIBPHUZQA-OGWOLHLISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC000957160331 1213267035 /nfs/dbraw/zinc/26/70/35/1213267035.db2.gz PNINYYIBPHUZQA-OGWOLHLISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000957591656 1213329150 /nfs/dbraw/zinc/32/91/50/1213329150.db2.gz OFSLBMFHXSFDMR-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000957591656 1213329152 /nfs/dbraw/zinc/32/91/52/1213329152.db2.gz OFSLBMFHXSFDMR-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1)[C@H]1CCNC1=O ZINC000957726606 1213352430 /nfs/dbraw/zinc/35/24/30/1213352430.db2.gz WAAHGMAHZHHKKR-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+](CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)[C@H]1CCNC1=O ZINC000957726606 1213352432 /nfs/dbraw/zinc/35/24/32/1213352432.db2.gz WAAHGMAHZHHKKR-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)[C@H]1CCNC1=O ZINC000957726606 1213352434 /nfs/dbraw/zinc/35/24/34/1213352434.db2.gz WAAHGMAHZHHKKR-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[C@H]1CCNC1=O ZINC000957726606 1213352435 /nfs/dbraw/zinc/35/24/35/1213352435.db2.gz WAAHGMAHZHHKKR-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[C@H]1CCNC1=O ZINC000957726606 1213352438 /nfs/dbraw/zinc/35/24/38/1213352438.db2.gz WAAHGMAHZHHKKR-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP COCCC[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276315691 1213403325 /nfs/dbraw/zinc/40/33/25/1213403325.db2.gz MMERBADDUXSSIO-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(OC)nn4)C[C@H]32)CC[N@@H+]1C ZINC000959964649 1213564517 /nfs/dbraw/zinc/56/45/17/1213564517.db2.gz HWWJLQCPGBFWNP-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(OC)nn4)C[C@H]32)CC[N@H+]1C ZINC000959964649 1213564520 /nfs/dbraw/zinc/56/45/20/1213564520.db2.gz HWWJLQCPGBFWNP-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(OC)nn4)C[C@H]32)CC[NH+]1C ZINC000959964649 1213564523 /nfs/dbraw/zinc/56/45/23/1213564523.db2.gz HWWJLQCPGBFWNP-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(OC)nn4)C[C@H]32)CC[NH+]1C ZINC000959964649 1213564526 /nfs/dbraw/zinc/56/45/26/1213564526.db2.gz HWWJLQCPGBFWNP-ZNFSNMQZSA-N 2 1 359.474 0.762 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000959974380 1213568142 /nfs/dbraw/zinc/56/81/42/1213568142.db2.gz PNMVLJSDCVTKAA-HBRVENNYSA-N 2 1 370.497 0.933 20 0 FCADMP CNC(=O)c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000959974380 1213568144 /nfs/dbraw/zinc/56/81/44/1213568144.db2.gz PNMVLJSDCVTKAA-HBRVENNYSA-N 2 1 370.497 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[N@H+]1C ZINC000959978137 1213569848 /nfs/dbraw/zinc/56/98/48/1213569848.db2.gz ZCJVXQAQDPZJBK-FUEZWAHWSA-N 2 1 356.470 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[NH+]1C ZINC000959978137 1213569852 /nfs/dbraw/zinc/56/98/52/1213569852.db2.gz ZCJVXQAQDPZJBK-FUEZWAHWSA-N 2 1 356.470 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[NH+]1C ZINC000959978137 1213569854 /nfs/dbraw/zinc/56/98/54/1213569854.db2.gz ZCJVXQAQDPZJBK-FUEZWAHWSA-N 2 1 356.470 0.672 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960047188 1213594681 /nfs/dbraw/zinc/59/46/81/1213594681.db2.gz SZACACAFBSJGQY-HLLBOEOZSA-N 2 1 364.494 0.488 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960047188 1213594684 /nfs/dbraw/zinc/59/46/84/1213594684.db2.gz SZACACAFBSJGQY-HLLBOEOZSA-N 2 1 364.494 0.488 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000649308767 1213652945 /nfs/dbraw/zinc/65/29/45/1213652945.db2.gz ZUURZCQWBLEJLA-KRWDZBQOSA-N 2 1 360.458 0.781 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC000960377876 1213732802 /nfs/dbraw/zinc/73/28/02/1213732802.db2.gz WTEFVYVOBCBCBI-MAKQCAJESA-N 2 1 356.430 0.884 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)CC[N@H+]1C ZINC001010588528 1213802769 /nfs/dbraw/zinc/80/27/69/1213802769.db2.gz UMLBTCFZXPPDES-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)CC[NH+]1C ZINC001010588528 1213802771 /nfs/dbraw/zinc/80/27/71/1213802771.db2.gz UMLBTCFZXPPDES-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H]4CCC[N@H+]4C)C3)C2)CC[NH+]1C ZINC001010588528 1213802778 /nfs/dbraw/zinc/80/27/78/1213802778.db2.gz UMLBTCFZXPPDES-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@H+]1C ZINC001010666805 1213806874 /nfs/dbraw/zinc/80/68/74/1213806874.db2.gz JLCMQEAFJSLXLE-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787403 1225481494 /nfs/dbraw/zinc/48/14/94/1225481494.db2.gz QMPLCHVPHOWMDT-GUDVDZBRSA-N 2 1 367.534 0.894 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001221791325 1225482190 /nfs/dbraw/zinc/48/21/90/1225482190.db2.gz GDQITUAFZGMSPR-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@H+]1C ZINC001011210722 1213850964 /nfs/dbraw/zinc/85/09/64/1213850964.db2.gz LITSYFIELCRDPT-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC[NH+]1C ZINC001011210722 1213850965 /nfs/dbraw/zinc/85/09/65/1213850965.db2.gz LITSYFIELCRDPT-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC[NH+]1C ZINC001011210722 1213850972 /nfs/dbraw/zinc/85/09/72/1213850972.db2.gz LITSYFIELCRDPT-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011256179 1213858337 /nfs/dbraw/zinc/85/83/37/1213858337.db2.gz FBGWQYYIRNXJJI-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011256179 1213858341 /nfs/dbraw/zinc/85/83/41/1213858341.db2.gz FBGWQYYIRNXJJI-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011256179 1213858345 /nfs/dbraw/zinc/85/83/45/1213858345.db2.gz FBGWQYYIRNXJJI-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011256179 1213858349 /nfs/dbraw/zinc/85/83/49/1213858349.db2.gz FBGWQYYIRNXJJI-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418864458 1213867112 /nfs/dbraw/zinc/86/71/12/1213867112.db2.gz QTQXYBVHPXJLKJ-YLJYHZDGSA-N 2 1 356.470 0.732 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)[C@@H](c2ccccc2)C1 ZINC001016839350 1214051320 /nfs/dbraw/zinc/05/13/20/1214051320.db2.gz BVAIEQKNIDQARF-FGTMMUONSA-N 2 1 370.497 0.788 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3ccnn3C)C2)O1 ZINC001017151002 1214076692 /nfs/dbraw/zinc/07/66/92/1214076692.db2.gz CFXRJQUPMNBLIA-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3ccnn3C)C2)O1 ZINC001017151002 1214076695 /nfs/dbraw/zinc/07/66/95/1214076695.db2.gz CFXRJQUPMNBLIA-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3ccnn3C)C2)O1 ZINC001017151002 1214076702 /nfs/dbraw/zinc/07/67/02/1214076702.db2.gz CFXRJQUPMNBLIA-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccnn3C)C2)O1 ZINC001017151002 1214076706 /nfs/dbraw/zinc/07/67/06/1214076706.db2.gz CFXRJQUPMNBLIA-JFIYKMOQSA-N 2 1 363.506 0.810 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001017490996 1214103574 /nfs/dbraw/zinc/10/35/74/1214103574.db2.gz YFYRKFLSPDIRPW-RHSMWYFYSA-N 2 1 359.474 0.807 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001017490996 1214103579 /nfs/dbraw/zinc/10/35/79/1214103579.db2.gz YFYRKFLSPDIRPW-RHSMWYFYSA-N 2 1 359.474 0.807 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001017489874 1214103711 /nfs/dbraw/zinc/10/37/11/1214103711.db2.gz HJTOBRREJRSOJT-JOCBIADPSA-N 2 1 362.518 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001017489874 1214103717 /nfs/dbraw/zinc/10/37/17/1214103717.db2.gz HJTOBRREJRSOJT-JOCBIADPSA-N 2 1 362.518 0.942 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001017489874 1214103719 /nfs/dbraw/zinc/10/37/19/1214103719.db2.gz HJTOBRREJRSOJT-JOCBIADPSA-N 2 1 362.518 0.942 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221846655 1225504335 /nfs/dbraw/zinc/50/43/35/1225504335.db2.gz JLPCNQZMGRHPDH-IAGOWNOFSA-N 2 1 364.490 0.938 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221846655 1225504338 /nfs/dbraw/zinc/50/43/38/1225504338.db2.gz JLPCNQZMGRHPDH-IAGOWNOFSA-N 2 1 364.490 0.938 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)CC[N@H+]1C ZINC001018878998 1214167996 /nfs/dbraw/zinc/16/79/96/1214167996.db2.gz BMJGPMIHRPWUOO-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)CC[NH+]1C ZINC001018878998 1214168000 /nfs/dbraw/zinc/16/80/00/1214168000.db2.gz BMJGPMIHRPWUOO-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CCC[N@H+]4C)C3)C2)CC[NH+]1C ZINC001018878998 1214168007 /nfs/dbraw/zinc/16/80/07/1214168007.db2.gz BMJGPMIHRPWUOO-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)CC[N@H+]1C ZINC000961665533 1214261324 /nfs/dbraw/zinc/26/13/24/1214261324.db2.gz WSGAVGHDTYLUCL-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961665533 1214261333 /nfs/dbraw/zinc/26/13/33/1214261333.db2.gz WSGAVGHDTYLUCL-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)CC[NH+]1C ZINC000961665533 1214261336 /nfs/dbraw/zinc/26/13/36/1214261336.db2.gz WSGAVGHDTYLUCL-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC001020287006 1214327116 /nfs/dbraw/zinc/32/71/16/1214327116.db2.gz RWMLTODEMFRRNR-ATNYBXOESA-N 2 1 361.490 0.675 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC001020287006 1214327128 /nfs/dbraw/zinc/32/71/28/1214327128.db2.gz RWMLTODEMFRRNR-ATNYBXOESA-N 2 1 361.490 0.675 20 0 FCADMP CC(C)n1ncnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000961987764 1214393301 /nfs/dbraw/zinc/39/33/01/1214393301.db2.gz DZCUKAWNIVQXLI-PRLABOORSA-N 2 1 364.494 0.563 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039606769 1214405998 /nfs/dbraw/zinc/40/59/98/1214405998.db2.gz PHTAUGAXUPEZOE-CVEARBPZSA-N 2 1 370.461 0.645 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221894877 1225526062 /nfs/dbraw/zinc/52/60/62/1225526062.db2.gz MDHBHWWASNLVQG-FHLIZLRMSA-N 2 1 371.441 0.421 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221894877 1225526065 /nfs/dbraw/zinc/52/60/65/1225526065.db2.gz MDHBHWWASNLVQG-FHLIZLRMSA-N 2 1 371.441 0.421 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949753 1225548458 /nfs/dbraw/zinc/54/84/58/1225548458.db2.gz GWWYGLKYARDQNN-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949753 1225548462 /nfs/dbraw/zinc/54/84/62/1225548462.db2.gz GWWYGLKYARDQNN-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950521 1225548481 /nfs/dbraw/zinc/54/84/81/1225548481.db2.gz MCUODPWCMRHMOO-ARFHVFGLSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950521 1225548485 /nfs/dbraw/zinc/54/84/85/1225548485.db2.gz MCUODPWCMRHMOO-ARFHVFGLSA-N 2 1 368.522 0.401 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221972951 1225557730 /nfs/dbraw/zinc/55/77/30/1225557730.db2.gz RDCWZJGNIYHFDW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221972951 1225557734 /nfs/dbraw/zinc/55/77/34/1225557734.db2.gz RDCWZJGNIYHFDW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221972951 1225557740 /nfs/dbraw/zinc/55/77/40/1225557740.db2.gz RDCWZJGNIYHFDW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221972951 1225557746 /nfs/dbraw/zinc/55/77/46/1225557746.db2.gz RDCWZJGNIYHFDW-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nccn2C)C3)O1 ZINC000964030425 1214890890 /nfs/dbraw/zinc/89/08/90/1214890890.db2.gz MKUIIGSZICBLOZ-ITFIPKOWSA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nccn2C)C3)O1 ZINC000964030425 1214890896 /nfs/dbraw/zinc/89/08/96/1214890896.db2.gz MKUIIGSZICBLOZ-ITFIPKOWSA-N 2 1 361.490 0.656 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)O1 ZINC000964524124 1214973453 /nfs/dbraw/zinc/97/34/53/1214973453.db2.gz UPHITEXUYBIIIR-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C)O1 ZINC000964524124 1214973458 /nfs/dbraw/zinc/97/34/58/1214973458.db2.gz UPHITEXUYBIIIR-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)O1 ZINC000964524124 1214973461 /nfs/dbraw/zinc/97/34/61/1214973461.db2.gz UPHITEXUYBIIIR-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)O1 ZINC000964524124 1214973464 /nfs/dbraw/zinc/97/34/64/1214973464.db2.gz UPHITEXUYBIIIR-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000968096508 1215285511 /nfs/dbraw/zinc/28/55/11/1215285511.db2.gz MMESPRYMTLXTEH-DJIMGWMZSA-N 2 1 368.522 0.351 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000968096508 1215285514 /nfs/dbraw/zinc/28/55/14/1215285514.db2.gz MMESPRYMTLXTEH-DJIMGWMZSA-N 2 1 368.522 0.351 20 0 FCADMP c1c(C[N@H+]2CCOC[C@]3(CNCCO3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222191529 1225610089 /nfs/dbraw/zinc/61/00/89/1225610089.db2.gz MTNJWZQQNPQYOI-FQEVSTJZSA-N 2 1 356.470 0.935 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442830 1225624672 /nfs/dbraw/zinc/62/46/72/1225624672.db2.gz NVSDQRIDLDDBJF-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442830 1225624677 /nfs/dbraw/zinc/62/46/77/1225624677.db2.gz NVSDQRIDLDDBJF-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442830 1225624679 /nfs/dbraw/zinc/62/46/79/1225624679.db2.gz NVSDQRIDLDDBJF-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442830 1225624682 /nfs/dbraw/zinc/62/46/82/1225624682.db2.gz NVSDQRIDLDDBJF-KURKYZTESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)cn1 ZINC001098013299 1215924663 /nfs/dbraw/zinc/92/46/63/1215924663.db2.gz HHCSCSSTTJKJEZ-WCXIOVBPSA-N 2 1 374.489 0.058 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)cn1 ZINC001098013299 1215924666 /nfs/dbraw/zinc/92/46/66/1215924666.db2.gz HHCSCSSTTJKJEZ-WCXIOVBPSA-N 2 1 374.489 0.058 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC001222646449 1225642727 /nfs/dbraw/zinc/64/27/27/1225642727.db2.gz AXIVHWYMQUOJQC-IRXDYDNUSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[C@@H](c2ccccc2)C1 ZINC001000351045 1216041029 /nfs/dbraw/zinc/04/10/29/1216041029.db2.gz BXSVUYXKSXVSST-QRQLOZEOSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001000351045 1216041033 /nfs/dbraw/zinc/04/10/33/1216041033.db2.gz BXSVUYXKSXVSST-QRQLOZEOSA-N 2 1 370.497 0.611 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001000351045 1216041038 /nfs/dbraw/zinc/04/10/38/1216041038.db2.gz BXSVUYXKSXVSST-QRQLOZEOSA-N 2 1 370.497 0.611 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncnn3C)CC2)O1 ZINC001050336904 1216309525 /nfs/dbraw/zinc/30/95/25/1216309525.db2.gz UYDBRALPPOIQGF-KLHDSHLOSA-N 2 1 364.494 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncnn3C)CC2)O1 ZINC001050336904 1216309530 /nfs/dbraw/zinc/30/95/30/1216309530.db2.gz UYDBRALPPOIQGF-KLHDSHLOSA-N 2 1 364.494 0.299 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1)C1CC1 ZINC001222892043 1225663766 /nfs/dbraw/zinc/66/37/66/1225663766.db2.gz LFLVWJJILLQHRQ-HHXXYDBFSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1)C1CC1 ZINC001222892043 1225663768 /nfs/dbraw/zinc/66/37/68/1225663768.db2.gz LFLVWJJILLQHRQ-HHXXYDBFSA-N 2 1 362.518 0.776 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CCN(CC(=O)NCC3CC3)[C@H]2C1)C1CCC1 ZINC001222898004 1225664121 /nfs/dbraw/zinc/66/41/21/1225664121.db2.gz QVDGKPVZUBZROL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1)C1CCC1 ZINC001222898004 1225664127 /nfs/dbraw/zinc/66/41/27/1225664127.db2.gz QVDGKPVZUBZROL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1)C1CCC1 ZINC001222898004 1225664128 /nfs/dbraw/zinc/66/41/28/1225664128.db2.gz QVDGKPVZUBZROL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1)C1CCC1 ZINC001222898004 1225664139 /nfs/dbraw/zinc/66/41/39/1225664139.db2.gz QVDGKPVZUBZROL-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524588 1216330753 /nfs/dbraw/zinc/33/07/53/1216330753.db2.gz HAEDTXMPWSWQGX-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)CC[N@H+]1C ZINC001050525442 1216331729 /nfs/dbraw/zinc/33/17/29/1216331729.db2.gz XLEXBLFGKRXKQM-RBSFLKMASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccnn2C)CC3)O1 ZINC001050563502 1216335955 /nfs/dbraw/zinc/33/59/55/1216335955.db2.gz LAIYWHNFFARUNG-NVXWUHKLSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccnn2C)CC3)O1 ZINC001050563502 1216335962 /nfs/dbraw/zinc/33/59/62/1216335962.db2.gz LAIYWHNFFARUNG-NVXWUHKLSA-N 2 1 361.490 0.564 20 0 FCADMP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)[nH]1 ZINC001051624192 1216467476 /nfs/dbraw/zinc/46/74/76/1216467476.db2.gz MNTVGFQUTXQJMR-RBSFLKMASA-N 2 1 364.494 0.585 20 0 FCADMP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)[nH]1 ZINC001051624192 1216467483 /nfs/dbraw/zinc/46/74/83/1216467483.db2.gz MNTVGFQUTXQJMR-RBSFLKMASA-N 2 1 364.494 0.585 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623890 1216468844 /nfs/dbraw/zinc/46/88/44/1216468844.db2.gz KGOXMRAVSKKCJJ-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625287 1216469179 /nfs/dbraw/zinc/46/91/79/1216469179.db2.gz YLHUMRZCZAIQCC-VNQPRFMTSA-N 2 1 363.462 0.142 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625272 1216470540 /nfs/dbraw/zinc/47/05/40/1216470540.db2.gz YFEWCTJNUISRIX-HYVNUMGLSA-N 2 1 362.474 0.747 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679759 1216474435 /nfs/dbraw/zinc/47/44/35/1216474435.db2.gz IHJRHLJGTIGNAX-ISTRZQFTSA-N 2 1 366.462 0.328 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051679759 1216474438 /nfs/dbraw/zinc/47/44/38/1216474438.db2.gz IHJRHLJGTIGNAX-ISTRZQFTSA-N 2 1 366.462 0.328 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)C[C@@H]21 ZINC001223039348 1225675297 /nfs/dbraw/zinc/67/52/97/1225675297.db2.gz HBQLLMFWVWNHQV-KEYYUXOJSA-N 2 1 366.462 0.280 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001052395081 1216548212 /nfs/dbraw/zinc/54/82/12/1216548212.db2.gz KKFNXWLKYRUZPF-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052395081 1216548219 /nfs/dbraw/zinc/54/82/19/1216548219.db2.gz KKFNXWLKYRUZPF-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052395081 1216548225 /nfs/dbraw/zinc/54/82/25/1216548225.db2.gz KKFNXWLKYRUZPF-YESZJQIVSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487845 1216562196 /nfs/dbraw/zinc/56/21/96/1216562196.db2.gz DBPKUEPJURIQKN-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487845 1216562202 /nfs/dbraw/zinc/56/22/02/1216562202.db2.gz DBPKUEPJURIQKN-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487845 1216562209 /nfs/dbraw/zinc/56/22/09/1216562209.db2.gz DBPKUEPJURIQKN-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001052487845 1216562213 /nfs/dbraw/zinc/56/22/13/1216562213.db2.gz DBPKUEPJURIQKN-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP CC1(C)CN(C/C=C/CN2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682035595 1216656360 /nfs/dbraw/zinc/65/63/60/1216656360.db2.gz NKRZZFZMERJAOE-AATRIKPKSA-N 2 1 368.566 0.320 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCO2 ZINC001068401822 1216731336 /nfs/dbraw/zinc/73/13/36/1216731336.db2.gz TWERLMKPMNMFGU-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401822 1216731338 /nfs/dbraw/zinc/73/13/38/1216731338.db2.gz TWERLMKPMNMFGU-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401822 1216731342 /nfs/dbraw/zinc/73/13/42/1216731342.db2.gz TWERLMKPMNMFGU-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP CCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001069592571 1216794955 /nfs/dbraw/zinc/79/49/55/1216794955.db2.gz YXLLCFSLWCNJLA-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001069592571 1216794960 /nfs/dbraw/zinc/79/49/60/1216794960.db2.gz YXLLCFSLWCNJLA-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838800 1216805079 /nfs/dbraw/zinc/80/50/79/1216805079.db2.gz IHWIUXVGVOOLBB-HYVNUMGLSA-N 2 1 361.490 0.605 20 0 FCADMP CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838800 1216805081 /nfs/dbraw/zinc/80/50/81/1216805081.db2.gz IHWIUXVGVOOLBB-HYVNUMGLSA-N 2 1 361.490 0.605 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928997 1216848708 /nfs/dbraw/zinc/84/87/08/1216848708.db2.gz PQVMWRMLBCLZSU-KSZLIROESA-N 2 1 358.490 0.762 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945329 1216858991 /nfs/dbraw/zinc/85/89/91/1216858991.db2.gz JLKSGRKOLWOFCU-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945329 1216858992 /nfs/dbraw/zinc/85/89/92/1216858992.db2.gz JLKSGRKOLWOFCU-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945329 1216858995 /nfs/dbraw/zinc/85/89/95/1216858995.db2.gz JLKSGRKOLWOFCU-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945329 1216858998 /nfs/dbraw/zinc/85/89/98/1216858998.db2.gz JLKSGRKOLWOFCU-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)C12CCC[NH+](CCC1)C2 ZINC001069955705 1216865883 /nfs/dbraw/zinc/86/58/83/1216865883.db2.gz JCMNOIRCHMJEAQ-CVEARBPZSA-N 2 1 364.469 0.855 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001069988395 1216886130 /nfs/dbraw/zinc/88/61/30/1216886130.db2.gz VGJAHOJDGRAPTN-IKGGRYGDSA-N 2 1 364.469 0.854 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001069988395 1216886131 /nfs/dbraw/zinc/88/61/31/1216886131.db2.gz VGJAHOJDGRAPTN-IKGGRYGDSA-N 2 1 364.469 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[NH+]3C)CCOCC2)CC[N@H+]1C ZINC001070042123 1216918066 /nfs/dbraw/zinc/91/80/66/1216918066.db2.gz XPVUVPDCKNBNNI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCOCC2)CC[NH+]1C ZINC001070042123 1216918073 /nfs/dbraw/zinc/91/80/73/1216918073.db2.gz XPVUVPDCKNBNNI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCOCC2)CC[NH+]1C ZINC001070042123 1216918076 /nfs/dbraw/zinc/91/80/76/1216918076.db2.gz XPVUVPDCKNBNNI-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](CC)CC ZINC001223488903 1225708735 /nfs/dbraw/zinc/70/87/35/1225708735.db2.gz DSSKLRXGBRIHFU-KFWWJZLASA-N 2 1 367.494 0.225 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1)[NH+](CC)CC ZINC001223488903 1225708740 /nfs/dbraw/zinc/70/87/40/1225708740.db2.gz DSSKLRXGBRIHFU-KFWWJZLASA-N 2 1 367.494 0.225 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001223684937 1225727493 /nfs/dbraw/zinc/72/74/93/1225727493.db2.gz ZKXGDSONPDUGEH-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001223684937 1225727495 /nfs/dbraw/zinc/72/74/95/1225727495.db2.gz ZKXGDSONPDUGEH-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001041294525 1217270447 /nfs/dbraw/zinc/27/04/47/1217270447.db2.gz RKOHLELOFQYVJK-WSTZPKSXSA-N 2 1 365.518 0.650 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2O)C1 ZINC001041301157 1217272664 /nfs/dbraw/zinc/27/26/64/1217272664.db2.gz XVVABAUUQAEFDB-BRWVUGGUSA-N 2 1 361.490 0.881 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2O)C1 ZINC001041301157 1217272671 /nfs/dbraw/zinc/27/26/71/1217272671.db2.gz XVVABAUUQAEFDB-BRWVUGGUSA-N 2 1 361.490 0.881 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)NCC1CC1 ZINC001223912480 1225745316 /nfs/dbraw/zinc/74/53/16/1225745316.db2.gz WAEMZKCWIXEXRG-SJORKVTESA-N 2 1 360.502 0.531 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)NCC1CC1 ZINC001223912480 1225745321 /nfs/dbraw/zinc/74/53/21/1225745321.db2.gz WAEMZKCWIXEXRG-SJORKVTESA-N 2 1 360.502 0.531 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916256 1225745779 /nfs/dbraw/zinc/74/57/79/1225745779.db2.gz CZAMLCDUPQLMJF-JZXOWHBKSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916256 1225745782 /nfs/dbraw/zinc/74/57/82/1225745782.db2.gz CZAMLCDUPQLMJF-JZXOWHBKSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916256 1225745786 /nfs/dbraw/zinc/74/57/86/1225745786.db2.gz CZAMLCDUPQLMJF-JZXOWHBKSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223916914 1225745825 /nfs/dbraw/zinc/74/58/25/1225745825.db2.gz SPGKKJUFRIHVRX-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223916914 1225745828 /nfs/dbraw/zinc/74/58/28/1225745828.db2.gz SPGKKJUFRIHVRX-SJORKVTESA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001043262041 1217617882 /nfs/dbraw/zinc/61/78/82/1217617882.db2.gz AGYNHFCMAHTFBW-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130027 1225758351 /nfs/dbraw/zinc/75/83/51/1225758351.db2.gz LQHWJTMQKYYGGA-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CCOCCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131241 1225760359 /nfs/dbraw/zinc/76/03/59/1225760359.db2.gz YCYDUVLQLWIRQU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131241 1225760361 /nfs/dbraw/zinc/76/03/61/1225760361.db2.gz YCYDUVLQLWIRQU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131241 1225760363 /nfs/dbraw/zinc/76/03/63/1225760363.db2.gz YCYDUVLQLWIRQU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131241 1225760365 /nfs/dbraw/zinc/76/03/65/1225760365.db2.gz YCYDUVLQLWIRQU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224131241 1225760368 /nfs/dbraw/zinc/76/03/68/1225760368.db2.gz YCYDUVLQLWIRQU-IKGGRYGDSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)nc(C)[nH+]1 ZINC001043737977 1217724917 /nfs/dbraw/zinc/72/49/17/1217724917.db2.gz XEYJBIDGOMZTLF-JKSUJKDBSA-N 2 1 357.458 0.605 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21)N1CCC1 ZINC001224298558 1225771367 /nfs/dbraw/zinc/77/13/67/1225771367.db2.gz YPGNBNSDFYBOOX-SJORKVTESA-N 2 1 359.474 0.818 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044245096 1217824501 /nfs/dbraw/zinc/82/45/01/1217824501.db2.gz MJLRVUXPWPCFKV-BBWFWOEESA-N 2 1 361.490 0.737 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044245096 1217824503 /nfs/dbraw/zinc/82/45/03/1217824503.db2.gz MJLRVUXPWPCFKV-BBWFWOEESA-N 2 1 361.490 0.737 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001045043618 1217895919 /nfs/dbraw/zinc/89/59/19/1217895919.db2.gz IKIBLJIIHJWTAE-QLFBSQMISA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001045043618 1217895920 /nfs/dbraw/zinc/89/59/20/1217895920.db2.gz IKIBLJIIHJWTAE-QLFBSQMISA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001045478859 1217932776 /nfs/dbraw/zinc/93/27/76/1217932776.db2.gz GZENXYQOYTXPQE-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)O1 ZINC001045478859 1217932779 /nfs/dbraw/zinc/93/27/79/1217932779.db2.gz GZENXYQOYTXPQE-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672885 1217947010 /nfs/dbraw/zinc/94/70/10/1217947010.db2.gz WEBGKJHVOCDEBO-OWCLPIDISA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046038958 1217989121 /nfs/dbraw/zinc/98/91/21/1217989121.db2.gz QUDRLMLRHUDDOB-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038958 1217989124 /nfs/dbraw/zinc/98/91/24/1217989124.db2.gz QUDRLMLRHUDDOB-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038958 1217989127 /nfs/dbraw/zinc/98/91/27/1217989127.db2.gz QUDRLMLRHUDDOB-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038958 1217989129 /nfs/dbraw/zinc/98/91/29/1217989129.db2.gz QUDRLMLRHUDDOB-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP CC(C)CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038958 1217989134 /nfs/dbraw/zinc/98/91/34/1217989134.db2.gz QUDRLMLRHUDDOB-CEXWTWQISA-N 2 1 366.550 0.970 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000900964972 1218063241 /nfs/dbraw/zinc/06/32/41/1218063241.db2.gz JHPBLDUOHADQIK-IRXDYDNUSA-N 2 1 367.490 0.442 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000900964972 1218063242 /nfs/dbraw/zinc/06/32/42/1218063242.db2.gz JHPBLDUOHADQIK-IRXDYDNUSA-N 2 1 367.490 0.442 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000900964971 1218063498 /nfs/dbraw/zinc/06/34/98/1218063498.db2.gz JHPBLDUOHADQIK-IAGOWNOFSA-N 2 1 367.490 0.442 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000900964971 1218063501 /nfs/dbraw/zinc/06/35/01/1218063501.db2.gz JHPBLDUOHADQIK-IAGOWNOFSA-N 2 1 367.490 0.442 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001047429017 1218143179 /nfs/dbraw/zinc/14/31/79/1218143179.db2.gz VJTLSZJQTZRYNO-LAVFITLUSA-N 2 1 369.506 0.026 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001047429017 1218143186 /nfs/dbraw/zinc/14/31/86/1218143186.db2.gz VJTLSZJQTZRYNO-LAVFITLUSA-N 2 1 369.506 0.026 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001047429017 1218143188 /nfs/dbraw/zinc/14/31/88/1218143188.db2.gz VJTLSZJQTZRYNO-LAVFITLUSA-N 2 1 369.506 0.026 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)O1 ZINC001047429017 1218143192 /nfs/dbraw/zinc/14/31/92/1218143192.db2.gz VJTLSZJQTZRYNO-LAVFITLUSA-N 2 1 369.506 0.026 20 0 FCADMP Cc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1 ZINC001096259061 1218196508 /nfs/dbraw/zinc/19/65/08/1218196508.db2.gz OPLIJYMOJHWNDU-IAGOWNOFSA-N 2 1 360.506 0.754 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096351013 1218260139 /nfs/dbraw/zinc/26/01/39/1218260139.db2.gz XGCRAVIJLUJBTI-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096351013 1218260144 /nfs/dbraw/zinc/26/01/44/1218260144.db2.gz XGCRAVIJLUJBTI-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001096351013 1218260150 /nfs/dbraw/zinc/26/01/50/1218260150.db2.gz XGCRAVIJLUJBTI-WCVJEAGWSA-N 2 1 362.474 0.199 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001277038378 1225809247 /nfs/dbraw/zinc/80/92/47/1225809247.db2.gz QQYFLTVWMIAELO-LJQANCHMSA-N 2 1 355.442 0.895 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001277038378 1225809248 /nfs/dbraw/zinc/80/92/48/1225809248.db2.gz QQYFLTVWMIAELO-LJQANCHMSA-N 2 1 355.442 0.895 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048890014 1218334575 /nfs/dbraw/zinc/33/45/75/1218334575.db2.gz CZNAAXJGLABCTN-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048890014 1218334582 /nfs/dbraw/zinc/33/45/82/1218334582.db2.gz CZNAAXJGLABCTN-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048890014 1218334586 /nfs/dbraw/zinc/33/45/86/1218334586.db2.gz CZNAAXJGLABCTN-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048890014 1218334593 /nfs/dbraw/zinc/33/45/93/1218334593.db2.gz CZNAAXJGLABCTN-GMLZMKKNSA-N 2 1 362.474 0.901 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000803564423 1218436907 /nfs/dbraw/zinc/43/69/07/1218436907.db2.gz MAROCLHOAKDLJL-BRWVUGGUSA-N 2 1 366.506 0.202 20 0 FCADMP NC(=O)c1cccnc1N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733714 1218510824 /nfs/dbraw/zinc/51/08/24/1218510824.db2.gz PDQDYTWUZFYMKF-OAHLLOKOSA-N 2 1 359.474 0.461 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1c1nccn2cnnc12 ZINC000903757138 1218516526 /nfs/dbraw/zinc/51/65/26/1218516526.db2.gz YIZCXVRKFSQMJG-RKVPGOIHSA-N 2 1 357.462 0.403 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)O1 ZINC001097323142 1218776803 /nfs/dbraw/zinc/77/68/03/1218776803.db2.gz VNVZABUIURQTEV-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)O1 ZINC001097323142 1218776810 /nfs/dbraw/zinc/77/68/10/1218776810.db2.gz VNVZABUIURQTEV-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)O1 ZINC001097323142 1218776818 /nfs/dbraw/zinc/77/68/18/1218776818.db2.gz VNVZABUIURQTEV-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2cnn(C)c2)O1 ZINC001097323142 1218776832 /nfs/dbraw/zinc/77/68/32/1218776832.db2.gz VNVZABUIURQTEV-FXXCCUJSSA-N 2 1 361.490 0.403 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)c1ccc2c[nH+]cn2c1 ZINC001097551095 1218820783 /nfs/dbraw/zinc/82/07/83/1218820783.db2.gz XSFUWVMHTBTUGE-OIISXLGYSA-N 2 1 368.441 0.695 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154938 1218899669 /nfs/dbraw/zinc/89/96/69/1218899669.db2.gz YVAVWUYWFFPSJC-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154938 1218899671 /nfs/dbraw/zinc/89/96/71/1218899671.db2.gz YVAVWUYWFFPSJC-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154938 1218899672 /nfs/dbraw/zinc/89/96/72/1218899672.db2.gz YVAVWUYWFFPSJC-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)O1 ZINC001054154938 1218899673 /nfs/dbraw/zinc/89/96/73/1218899673.db2.gz YVAVWUYWFFPSJC-GPMSIDNRSA-N 2 1 366.506 0.108 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831951 1225855602 /nfs/dbraw/zinc/85/56/02/1225855602.db2.gz WDXPHPXMFHTORF-QZTJIDSGSA-N 2 1 368.522 0.640 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055358869 1219033542 /nfs/dbraw/zinc/03/35/42/1219033542.db2.gz PYNJOAVBDUHFHE-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055358869 1219033544 /nfs/dbraw/zinc/03/35/44/1219033544.db2.gz PYNJOAVBDUHFHE-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055358869 1219033545 /nfs/dbraw/zinc/03/35/45/1219033545.db2.gz PYNJOAVBDUHFHE-XWTMOSNGSA-N 2 1 364.534 0.975 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055545570 1219075135 /nfs/dbraw/zinc/07/51/35/1219075135.db2.gz MKXCUFVPSAQZIF-RCCFBDPRSA-N 2 1 362.518 0.824 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055545570 1219075139 /nfs/dbraw/zinc/07/51/39/1219075139.db2.gz MKXCUFVPSAQZIF-RCCFBDPRSA-N 2 1 362.518 0.824 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055545569 1219075262 /nfs/dbraw/zinc/07/52/62/1219075262.db2.gz MKXCUFVPSAQZIF-KSZLIROESA-N 2 1 362.518 0.824 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055545569 1219075269 /nfs/dbraw/zinc/07/52/69/1219075269.db2.gz MKXCUFVPSAQZIF-KSZLIROESA-N 2 1 362.518 0.824 20 0 FCADMP CO[C@H](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583400 1219088032 /nfs/dbraw/zinc/08/80/32/1219088032.db2.gz MHZLMUKCGGJYET-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3(CF)CC3)CC2)CC[N@H+]1C ZINC001055583566 1219088331 /nfs/dbraw/zinc/08/83/31/1219088331.db2.gz SGLDJRWSTGZYBK-GDBMZVCRSA-N 2 1 368.497 0.773 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001055610757 1219098000 /nfs/dbraw/zinc/09/80/00/1219098000.db2.gz VHEPPZBGEXSEPG-RZQQEMMASA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055610605 1219098179 /nfs/dbraw/zinc/09/81/79/1219098179.db2.gz OEZVZZBIKMSCTM-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000804060030 1219113388 /nfs/dbraw/zinc/11/33/88/1219113388.db2.gz OWPRIEYPKVTPKS-HZPDHXFCSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000804063079 1219117918 /nfs/dbraw/zinc/11/79/18/1219117918.db2.gz PBMAENNTNJHEJX-GVDBMIGSSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000804063079 1219117919 /nfs/dbraw/zinc/11/79/19/1219117919.db2.gz PBMAENNTNJHEJX-GVDBMIGSSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000804063079 1219117922 /nfs/dbraw/zinc/11/79/22/1219117922.db2.gz PBMAENNTNJHEJX-GVDBMIGSSA-N 2 1 364.490 0.099 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804062555 1219118148 /nfs/dbraw/zinc/11/81/48/1219118148.db2.gz ICARZSLAICBOHE-SJORKVTESA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100145 1219173628 /nfs/dbraw/zinc/17/36/28/1219173628.db2.gz GXZWKFRABPGCES-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100145 1219173631 /nfs/dbraw/zinc/17/36/31/1219173631.db2.gz GXZWKFRABPGCES-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100145 1219173635 /nfs/dbraw/zinc/17/36/35/1219173635.db2.gz GXZWKFRABPGCES-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)C1 ZINC001070100145 1219173638 /nfs/dbraw/zinc/17/36/38/1219173638.db2.gz GXZWKFRABPGCES-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100393 1219175097 /nfs/dbraw/zinc/17/50/97/1219175097.db2.gz SWDDCSVBSKSWCG-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100393 1219175103 /nfs/dbraw/zinc/17/51/03/1219175103.db2.gz SWDDCSVBSKSWCG-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100393 1219175111 /nfs/dbraw/zinc/17/51/11/1219175111.db2.gz SWDDCSVBSKSWCG-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100393 1219175114 /nfs/dbraw/zinc/17/51/14/1219175114.db2.gz SWDDCSVBSKSWCG-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070132760 1219206895 /nfs/dbraw/zinc/20/68/95/1219206895.db2.gz RHUSFRYUSISLNB-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001227453377 1225875494 /nfs/dbraw/zinc/87/54/94/1225875494.db2.gz BHWUBWONGBRJAV-LSDHHAIUSA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001227453377 1225875499 /nfs/dbraw/zinc/87/54/99/1225875499.db2.gz BHWUBWONGBRJAV-LSDHHAIUSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001227455145 1225875606 /nfs/dbraw/zinc/87/56/06/1225875606.db2.gz ZTWBDCHKGKKADW-AEGPPILISA-N 2 1 367.494 0.141 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001227455145 1225875607 /nfs/dbraw/zinc/87/56/07/1225875607.db2.gz ZTWBDCHKGKKADW-AEGPPILISA-N 2 1 367.494 0.141 20 0 FCADMP CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)[NH+](C)C ZINC001070157813 1219243562 /nfs/dbraw/zinc/24/35/62/1219243562.db2.gz LPAYHGPMZUDSPW-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070158597 1219245971 /nfs/dbraw/zinc/24/59/71/1219245971.db2.gz RFSQOTNIKONGDD-ZACQAIPSSA-N 2 1 362.478 0.140 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326901 1219376889 /nfs/dbraw/zinc/37/68/89/1219376889.db2.gz ICJJRDGUAWDYDE-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326901 1219376892 /nfs/dbraw/zinc/37/68/92/1219376892.db2.gz ICJJRDGUAWDYDE-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001277246551 1225888297 /nfs/dbraw/zinc/88/82/97/1225888297.db2.gz ABKOQFNWFVSDDB-UHFFFAOYSA-N 2 1 365.522 0.620 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001070367516 1219399635 /nfs/dbraw/zinc/39/96/35/1219399635.db2.gz YXZNSJMNDBAZCM-RYRKJORJSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001070367516 1219399639 /nfs/dbraw/zinc/39/96/39/1219399639.db2.gz YXZNSJMNDBAZCM-RYRKJORJSA-N 2 1 366.506 0.201 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070475137 1219425374 /nfs/dbraw/zinc/42/53/74/1219425374.db2.gz GCQFMWCSCQOWQW-JQHSSLGASA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070475249 1219426018 /nfs/dbraw/zinc/42/60/18/1219426018.db2.gz KLIUMMMENLLVTI-CGTJXYLNSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070475249 1219426021 /nfs/dbraw/zinc/42/60/21/1219426021.db2.gz KLIUMMMENLLVTI-CGTJXYLNSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070475347 1219426162 /nfs/dbraw/zinc/42/61/62/1219426162.db2.gz OMUPXDOCTYWABR-JQHSSLGASA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070563751 1219470950 /nfs/dbraw/zinc/47/09/50/1219470950.db2.gz KGPAWMHZWJAEHM-HHXXYDBFSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629611 1219494647 /nfs/dbraw/zinc/49/46/47/1219494647.db2.gz ORIFCYDWRVAFMJ-BZUAXINKSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629611 1219494649 /nfs/dbraw/zinc/49/46/49/1219494649.db2.gz ORIFCYDWRVAFMJ-BZUAXINKSA-N 2 1 371.489 0.332 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001228167849 1225898045 /nfs/dbraw/zinc/89/80/45/1225898045.db2.gz SHLULKSROBEWGU-BRWVUGGUSA-N 2 1 366.506 0.391 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)C1 ZINC001228167849 1225898047 /nfs/dbraw/zinc/89/80/47/1225898047.db2.gz SHLULKSROBEWGU-BRWVUGGUSA-N 2 1 366.506 0.391 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)CC2 ZINC001228215945 1225899940 /nfs/dbraw/zinc/89/99/40/1225899940.db2.gz MQLAGTMNJVXMHA-DJIMGWMZSA-N 2 1 361.490 0.859 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001228215421 1225900693 /nfs/dbraw/zinc/90/06/93/1225900693.db2.gz GOMHMEJUXDTIPP-USXIJHARSA-N 2 1 361.490 0.907 20 0 FCADMP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923752 1219581396 /nfs/dbraw/zinc/58/13/96/1219581396.db2.gz BLWHHQSWMFOARO-BBWFWOEESA-N 2 1 364.490 0.988 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001070964668 1219584175 /nfs/dbraw/zinc/58/41/75/1219584175.db2.gz UGEFAGIJZNIPQT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@@H+](C[C@H]3CCOC3)CC2)CC[NH+]1C ZINC001070964668 1219584179 /nfs/dbraw/zinc/58/41/79/1219584179.db2.gz UGEFAGIJZNIPQT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@H+](C[C@H]3CCOC3)CC2)CC[NH+]1C ZINC001070964668 1219584185 /nfs/dbraw/zinc/58/41/85/1219584185.db2.gz UGEFAGIJZNIPQT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001071016672 1219589763 /nfs/dbraw/zinc/58/97/63/1219589763.db2.gz RVTRUNDVGTXLJL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001071061319 1219597732 /nfs/dbraw/zinc/59/77/32/1219597732.db2.gz ZDJXTBCJMIMSJS-SQNIBIBYSA-N 2 1 363.506 0.819 20 0 FCADMP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1)[NH+](C)C ZINC001071085919 1219603147 /nfs/dbraw/zinc/60/31/47/1219603147.db2.gz FZDPDKQWBUBECL-IKGGRYGDSA-N 2 1 365.478 0.896 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]Cc3cnon3)CC2)C1 ZINC001071104447 1219608455 /nfs/dbraw/zinc/60/84/55/1219608455.db2.gz XPPXAGSWOFEMMN-OIISXLGYSA-N 2 1 363.462 0.507 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]Cc3cnon3)CC2)C1 ZINC001071104447 1219608459 /nfs/dbraw/zinc/60/84/59/1219608459.db2.gz XPPXAGSWOFEMMN-OIISXLGYSA-N 2 1 363.462 0.507 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](O)Cn2cccn2)C3)CC[N@H+]1C ZINC001072752458 1219621498 /nfs/dbraw/zinc/62/14/98/1219621498.db2.gz LCKKNUDPEVPHDL-BRWVUGGUSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](C[C@@H](O)Cn2cccn2)C3)CC[NH+]1C ZINC001072752458 1219621499 /nfs/dbraw/zinc/62/14/99/1219621499.db2.gz LCKKNUDPEVPHDL-BRWVUGGUSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C3)CC[NH+]1C ZINC001072752458 1219621501 /nfs/dbraw/zinc/62/15/01/1219621501.db2.gz LCKKNUDPEVPHDL-BRWVUGGUSA-N 2 1 361.490 0.119 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(=O)NC2CC2)C3)CC[N@H+]1C ZINC001072754935 1219621723 /nfs/dbraw/zinc/62/17/23/1219621723.db2.gz LBLZJVPWABYTLX-BHYGNILZSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C3)CC[NH+]1C ZINC001072754935 1219621726 /nfs/dbraw/zinc/62/17/26/1219621726.db2.gz LBLZJVPWABYTLX-BHYGNILZSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)NC2CC2)C3)CC[NH+]1C ZINC001072754935 1219621729 /nfs/dbraw/zinc/62/17/29/1219621729.db2.gz LBLZJVPWABYTLX-BHYGNILZSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005746 1219631991 /nfs/dbraw/zinc/63/19/91/1219631991.db2.gz CKYLNDVFFDAXAB-JQHSSLGASA-N 2 1 370.497 0.740 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005746 1219631994 /nfs/dbraw/zinc/63/19/94/1219631994.db2.gz CKYLNDVFFDAXAB-JQHSSLGASA-N 2 1 370.497 0.740 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005746 1219631995 /nfs/dbraw/zinc/63/19/95/1219631995.db2.gz CKYLNDVFFDAXAB-JQHSSLGASA-N 2 1 370.497 0.740 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCc3cnn(C)c3)CCCO2)CC[N@H+]1C ZINC001073611271 1219672831 /nfs/dbraw/zinc/67/28/31/1219672831.db2.gz SCHAQCAMZFITCY-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073611271 1219672832 /nfs/dbraw/zinc/67/28/32/1219672832.db2.gz SCHAQCAMZFITCY-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073611271 1219672836 /nfs/dbraw/zinc/67/28/36/1219672836.db2.gz SCHAQCAMZFITCY-KBAYOESNSA-N 2 1 363.506 0.510 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001074604837 1219702683 /nfs/dbraw/zinc/70/26/83/1219702683.db2.gz SFWVWSBVRWHDJO-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074604837 1219702685 /nfs/dbraw/zinc/70/26/85/1219702685.db2.gz SFWVWSBVRWHDJO-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074604837 1219702688 /nfs/dbraw/zinc/70/26/88/1219702688.db2.gz SFWVWSBVRWHDJO-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001074661726 1219711908 /nfs/dbraw/zinc/71/19/08/1219711908.db2.gz ILKXIUCHRFPDTA-QXSJWSMHSA-N 2 1 363.510 0.892 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001074661726 1219711913 /nfs/dbraw/zinc/71/19/13/1219711913.db2.gz ILKXIUCHRFPDTA-QXSJWSMHSA-N 2 1 363.510 0.892 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)Cc3cnon3)CC2)CC[N@@H+]1C ZINC001098371533 1219768336 /nfs/dbraw/zinc/76/83/36/1219768336.db2.gz XBMUPLJSIKJAKM-DLBZAZTESA-N 2 1 365.478 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)Cc3cnon3)CC2)CC[N@H+]1C ZINC001098371533 1219768340 /nfs/dbraw/zinc/76/83/40/1219768340.db2.gz XBMUPLJSIKJAKM-DLBZAZTESA-N 2 1 365.478 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CCO)Cc3cnon3)CC2)CC[NH+]1C ZINC001098371533 1219768344 /nfs/dbraw/zinc/76/83/44/1219768344.db2.gz XBMUPLJSIKJAKM-DLBZAZTESA-N 2 1 365.478 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CCO)Cc3cnon3)CC2)CC[NH+]1C ZINC001098371533 1219768348 /nfs/dbraw/zinc/76/83/48/1219768348.db2.gz XBMUPLJSIKJAKM-DLBZAZTESA-N 2 1 365.478 0.585 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001098761427 1219822099 /nfs/dbraw/zinc/82/20/99/1219822099.db2.gz QZQISNZQAJOWJC-SCTDSRPQSA-N 2 1 360.506 0.960 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001098761427 1219822101 /nfs/dbraw/zinc/82/21/01/1219822101.db2.gz QZQISNZQAJOWJC-SCTDSRPQSA-N 2 1 360.506 0.960 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001098761427 1219822105 /nfs/dbraw/zinc/82/21/05/1219822105.db2.gz QZQISNZQAJOWJC-SCTDSRPQSA-N 2 1 360.506 0.960 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111459528 1219825256 /nfs/dbraw/zinc/82/52/56/1219825256.db2.gz BPYGBYHANBCTBP-LVQVYYBASA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111459528 1219825259 /nfs/dbraw/zinc/82/52/59/1219825259.db2.gz BPYGBYHANBCTBP-LVQVYYBASA-N 2 1 362.474 0.389 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099029643 1219892500 /nfs/dbraw/zinc/89/25/00/1219892500.db2.gz HDSAFFZJHUJUSF-GJYPPUQNSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)C1 ZINC001099029643 1219892501 /nfs/dbraw/zinc/89/25/01/1219892501.db2.gz HDSAFFZJHUJUSF-GJYPPUQNSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)C1 ZINC001099029643 1219892504 /nfs/dbraw/zinc/89/25/04/1219892504.db2.gz HDSAFFZJHUJUSF-GJYPPUQNSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCNC1=O)C2 ZINC001099026519 1219892809 /nfs/dbraw/zinc/89/28/09/1219892809.db2.gz DBFXSOXZLIOGIE-GJYPPUQNSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001099026519 1219892811 /nfs/dbraw/zinc/89/28/11/1219892811.db2.gz DBFXSOXZLIOGIE-GJYPPUQNSA-N 2 1 363.506 0.467 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001099026519 1219892814 /nfs/dbraw/zinc/89/28/14/1219892814.db2.gz DBFXSOXZLIOGIE-GJYPPUQNSA-N 2 1 363.506 0.467 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099159721 1219934872 /nfs/dbraw/zinc/93/48/72/1219934872.db2.gz JLMGBONUZOYHPC-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099159721 1219934875 /nfs/dbraw/zinc/93/48/75/1219934875.db2.gz JLMGBONUZOYHPC-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001099159721 1219934879 /nfs/dbraw/zinc/93/48/79/1219934879.db2.gz JLMGBONUZOYHPC-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099159721 1219934884 /nfs/dbraw/zinc/93/48/84/1219934884.db2.gz JLMGBONUZOYHPC-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160854 1219936227 /nfs/dbraw/zinc/93/62/27/1219936227.db2.gz URMSBZVLJREEKQ-AOIWGVFYSA-N 2 1 360.506 0.817 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099160854 1219936229 /nfs/dbraw/zinc/93/62/29/1219936229.db2.gz URMSBZVLJREEKQ-AOIWGVFYSA-N 2 1 360.506 0.817 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099160854 1219936232 /nfs/dbraw/zinc/93/62/32/1219936232.db2.gz URMSBZVLJREEKQ-AOIWGVFYSA-N 2 1 360.506 0.817 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001099164479 1219937034 /nfs/dbraw/zinc/93/70/34/1219937034.db2.gz CBQHLHRACPKCDI-WTANOLMUSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001099164479 1219937038 /nfs/dbraw/zinc/93/70/38/1219937038.db2.gz CBQHLHRACPKCDI-WTANOLMUSA-N 2 1 359.474 0.829 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2([NH+](C)C)CCC2)C3)n1 ZINC001099447904 1220000411 /nfs/dbraw/zinc/00/04/11/1220000411.db2.gz PEJBWLSMIRIYTF-YOEHRIQHSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnon3)C2)O1 ZINC001099451984 1220002743 /nfs/dbraw/zinc/00/27/43/1220002743.db2.gz GYQIMEVBRAEAPZ-KKBFJZEXSA-N 2 1 363.462 0.507 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnon3)C2)O1 ZINC001099451984 1220002745 /nfs/dbraw/zinc/00/27/45/1220002745.db2.gz GYQIMEVBRAEAPZ-KKBFJZEXSA-N 2 1 363.462 0.507 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228602085 1225935394 /nfs/dbraw/zinc/93/53/94/1225935394.db2.gz CGTNCSSCSRYKJR-BRWVUGGUSA-N 2 1 368.522 0.498 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001228646405 1225940429 /nfs/dbraw/zinc/94/04/29/1225940429.db2.gz FSTIPSPKCMTEEA-QZTJIDSGSA-N 2 1 360.502 0.924 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171482 1220208963 /nfs/dbraw/zinc/20/89/63/1220208963.db2.gz CAJVLQOYFUVVBN-GJYPPUQNSA-N 2 1 366.506 0.014 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267873 1220256695 /nfs/dbraw/zinc/25/66/95/1220256695.db2.gz WQJYVOGYQSEEGC-LMMKCTJWSA-N 2 1 363.506 0.630 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267873 1220256699 /nfs/dbraw/zinc/25/66/99/1220256699.db2.gz WQJYVOGYQSEEGC-LMMKCTJWSA-N 2 1 363.506 0.630 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286429 1220267889 /nfs/dbraw/zinc/26/78/89/1220267889.db2.gz XJAVYEBHJMQMQN-KHYOSLBOSA-N 2 1 359.474 0.562 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317022 1220284332 /nfs/dbraw/zinc/28/43/32/1220284332.db2.gz CQTZWZXCSCLIIB-BEFAXECRSA-N 2 1 361.490 0.968 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001101340322 1220293812 /nfs/dbraw/zinc/29/38/12/1220293812.db2.gz IKGICSFNLCCSQE-MDZRGWNJSA-N 2 1 365.474 0.742 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)C1=O ZINC001101342707 1220295506 /nfs/dbraw/zinc/29/55/06/1220295506.db2.gz JDUAKQPGJOUVOZ-MDZRGWNJSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)CC1 ZINC001101348638 1220296468 /nfs/dbraw/zinc/29/64/68/1220296468.db2.gz BPXGKRLBNJTOMA-XLIONFOSSA-N 2 1 362.518 0.635 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401296 1220323730 /nfs/dbraw/zinc/32/37/30/1220323730.db2.gz RSSZCKWHOVYUAT-AOIWGVFYSA-N 2 1 363.506 0.366 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101399961 1220324111 /nfs/dbraw/zinc/32/41/11/1220324111.db2.gz AHDUMSVVHYSDBE-BEFAXECRSA-N 2 1 364.490 0.258 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432313 1220341497 /nfs/dbraw/zinc/34/14/97/1220341497.db2.gz LKNOZGZQIGFDFY-DAYGRLMNSA-N 2 1 364.494 0.235 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432313 1220341502 /nfs/dbraw/zinc/34/15/02/1220341502.db2.gz LKNOZGZQIGFDFY-DAYGRLMNSA-N 2 1 364.494 0.235 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432331 1220341703 /nfs/dbraw/zinc/34/17/03/1220341703.db2.gz MMJGJAUYFYBZJT-KUHUBIRLSA-N 2 1 359.474 0.678 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)on1 ZINC001101432164 1220341810 /nfs/dbraw/zinc/34/18/10/1220341810.db2.gz FBZYWHRCRFSQSU-KDOFPFPSSA-N 2 1 366.462 0.542 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)on1 ZINC001101432164 1220341812 /nfs/dbraw/zinc/34/18/12/1220341812.db2.gz FBZYWHRCRFSQSU-KDOFPFPSSA-N 2 1 366.462 0.542 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432317 1220341838 /nfs/dbraw/zinc/34/18/38/1220341838.db2.gz LLQQGUKURKREHI-CLCXKQKWSA-N 2 1 362.474 0.549 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432317 1220341841 /nfs/dbraw/zinc/34/18/41/1220341841.db2.gz LLQQGUKURKREHI-CLCXKQKWSA-N 2 1 362.474 0.549 20 0 FCADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432647 1220342834 /nfs/dbraw/zinc/34/28/34/1220342834.db2.gz WTTXTRFRKMXNJT-MDZRGWNJSA-N 2 1 361.490 0.896 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101444016 1220348165 /nfs/dbraw/zinc/34/81/65/1220348165.db2.gz UEJGFTQPBFXQRB-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101444016 1220348168 /nfs/dbraw/zinc/34/81/68/1220348168.db2.gz UEJGFTQPBFXQRB-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@@]2(C)C1 ZINC001101444016 1220348173 /nfs/dbraw/zinc/34/81/73/1220348173.db2.gz UEJGFTQPBFXQRB-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469617 1220363272 /nfs/dbraw/zinc/36/32/72/1220363272.db2.gz ZTAFHQBLRJAJGQ-AOIWGVFYSA-N 2 1 369.506 0.150 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469617 1220363277 /nfs/dbraw/zinc/36/32/77/1220363277.db2.gz ZTAFHQBLRJAJGQ-AOIWGVFYSA-N 2 1 369.506 0.150 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469617 1220363280 /nfs/dbraw/zinc/36/32/80/1220363280.db2.gz ZTAFHQBLRJAJGQ-AOIWGVFYSA-N 2 1 369.506 0.150 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCOC)C[C@@]3(C)C2)C1 ZINC001101469617 1220363283 /nfs/dbraw/zinc/36/32/83/1220363283.db2.gz ZTAFHQBLRJAJGQ-AOIWGVFYSA-N 2 1 369.506 0.150 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001101474290 1220366816 /nfs/dbraw/zinc/36/68/16/1220366816.db2.gz RJFLPZWOUGTYDH-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101975760 1220449922 /nfs/dbraw/zinc/44/99/22/1220449922.db2.gz BQLFMHBAKNLETC-ZTFGCOKTSA-N 2 1 362.518 0.539 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013328 1220461929 /nfs/dbraw/zinc/46/19/29/1220461929.db2.gz VRUVYNCBIBZORA-BRWVUGGUSA-N 2 1 370.513 0.973 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048901 1220477013 /nfs/dbraw/zinc/47/70/13/1220477013.db2.gz TZSGZOPPOAFEIZ-SIIHOXLZSA-N 2 1 364.490 0.160 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047760 1220477475 /nfs/dbraw/zinc/47/74/75/1220477475.db2.gz RZTNETMJZYQOGW-BJZITVGISA-N 2 1 360.502 0.910 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081220 1220490333 /nfs/dbraw/zinc/49/03/33/1220490333.db2.gz QMIJGZLWQJGSAO-QBPKDAKJSA-N 2 1 368.522 0.162 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081220 1220490336 /nfs/dbraw/zinc/49/03/36/1220490336.db2.gz QMIJGZLWQJGSAO-QBPKDAKJSA-N 2 1 368.522 0.162 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081220 1220490337 /nfs/dbraw/zinc/49/03/37/1220490337.db2.gz QMIJGZLWQJGSAO-QBPKDAKJSA-N 2 1 368.522 0.162 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081220 1220490339 /nfs/dbraw/zinc/49/03/39/1220490339.db2.gz QMIJGZLWQJGSAO-QBPKDAKJSA-N 2 1 368.522 0.162 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085795 1220490864 /nfs/dbraw/zinc/49/08/64/1220490864.db2.gz BIQDSKVHCJPWMC-OWCLPIDISA-N 2 1 368.522 0.163 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1)C1CC1 ZINC001102290651 1220575506 /nfs/dbraw/zinc/57/55/06/1220575506.db2.gz ORQZELHSVNETGA-BFYDXBDKSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320459 1220582283 /nfs/dbraw/zinc/58/22/83/1220582283.db2.gz DFGYZKSKUMURRU-HUUCEWRRSA-N 2 1 362.474 0.967 20 0 FCADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312723 1220583401 /nfs/dbraw/zinc/58/34/01/1220583401.db2.gz KGQGDCZOSXNNGW-KBAYOESNSA-N 2 1 371.522 0.036 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102418043 1220615770 /nfs/dbraw/zinc/61/57/70/1220615770.db2.gz PWIFHGHXUMCBOI-HZPDHXFCSA-N 2 1 361.490 0.923 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001102418043 1220615774 /nfs/dbraw/zinc/61/57/74/1220615774.db2.gz PWIFHGHXUMCBOI-HZPDHXFCSA-N 2 1 361.490 0.923 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102428872 1220622407 /nfs/dbraw/zinc/62/24/07/1220622407.db2.gz WYOMCUKIMZUMOC-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102428872 1220622415 /nfs/dbraw/zinc/62/24/15/1220622415.db2.gz WYOMCUKIMZUMOC-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001102466941 1220637218 /nfs/dbraw/zinc/63/72/18/1220637218.db2.gz ZSLLHHOBPNKGLW-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001102466941 1220637220 /nfs/dbraw/zinc/63/72/20/1220637220.db2.gz ZSLLHHOBPNKGLW-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP COc1ccnc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102511376 1220670155 /nfs/dbraw/zinc/67/01/55/1220670155.db2.gz UVOFEYYIKAORGO-HZPDHXFCSA-N 2 1 364.490 0.853 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513857 1220672608 /nfs/dbraw/zinc/67/26/08/1220672608.db2.gz CZAJZQVVPCVXSK-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514730 1220673250 /nfs/dbraw/zinc/67/32/50/1220673250.db2.gz LCQSJGZEGVALFX-QLFBSQMISA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514730 1220673255 /nfs/dbraw/zinc/67/32/55/1220673255.db2.gz LCQSJGZEGVALFX-QLFBSQMISA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514730 1220673257 /nfs/dbraw/zinc/67/32/57/1220673257.db2.gz LCQSJGZEGVALFX-QLFBSQMISA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514730 1220673262 /nfs/dbraw/zinc/67/32/62/1220673262.db2.gz LCQSJGZEGVALFX-QLFBSQMISA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579974 1220701734 /nfs/dbraw/zinc/70/17/34/1220701734.db2.gz ZTYGEJSQELNDLZ-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589007 1220711376 /nfs/dbraw/zinc/71/13/76/1220711376.db2.gz UCUOXBMJGKHSBV-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589007 1220711384 /nfs/dbraw/zinc/71/13/84/1220711384.db2.gz UCUOXBMJGKHSBV-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102589007 1220711391 /nfs/dbraw/zinc/71/13/91/1220711391.db2.gz UCUOXBMJGKHSBV-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102589007 1220711398 /nfs/dbraw/zinc/71/13/98/1220711398.db2.gz UCUOXBMJGKHSBV-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596766 1220718476 /nfs/dbraw/zinc/71/84/76/1220718476.db2.gz XCRWQLIBUVNGFU-BZUAXINKSA-N 2 1 364.490 0.352 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601035 1220723226 /nfs/dbraw/zinc/72/32/26/1220723226.db2.gz HKDQRNCFEFNSQS-IXDOHACOSA-N 2 1 370.538 0.552 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601035 1220723228 /nfs/dbraw/zinc/72/32/28/1220723228.db2.gz HKDQRNCFEFNSQS-IXDOHACOSA-N 2 1 370.538 0.552 20 0 FCADMP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601035 1220723231 /nfs/dbraw/zinc/72/32/31/1220723231.db2.gz HKDQRNCFEFNSQS-IXDOHACOSA-N 2 1 370.538 0.552 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613093 1220732086 /nfs/dbraw/zinc/73/20/86/1220732086.db2.gz LUYYHHWLJJKLBT-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613093 1220732091 /nfs/dbraw/zinc/73/20/91/1220732091.db2.gz LUYYHHWLJJKLBT-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613093 1220732094 /nfs/dbraw/zinc/73/20/94/1220732094.db2.gz LUYYHHWLJJKLBT-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613093 1220732096 /nfs/dbraw/zinc/73/20/96/1220732096.db2.gz LUYYHHWLJJKLBT-JFIYKMOQSA-N 2 1 360.502 0.937 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780848 1220782028 /nfs/dbraw/zinc/78/20/28/1220782028.db2.gz QWVUBAMDBXUYTI-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780848 1220782031 /nfs/dbraw/zinc/78/20/31/1220782031.db2.gz QWVUBAMDBXUYTI-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102780848 1220782033 /nfs/dbraw/zinc/78/20/33/1220782033.db2.gz QWVUBAMDBXUYTI-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102780848 1220782037 /nfs/dbraw/zinc/78/20/37/1220782037.db2.gz QWVUBAMDBXUYTI-BZUAXINKSA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819228 1220792850 /nfs/dbraw/zinc/79/28/50/1220792850.db2.gz QJFFNWWSXVVDSS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819228 1220792859 /nfs/dbraw/zinc/79/28/59/1220792859.db2.gz QJFFNWWSXVVDSS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819228 1220792864 /nfs/dbraw/zinc/79/28/64/1220792864.db2.gz QJFFNWWSXVVDSS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819228 1220792871 /nfs/dbraw/zinc/79/28/71/1220792871.db2.gz QJFFNWWSXVVDSS-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138501 1220839316 /nfs/dbraw/zinc/83/93/16/1220839316.db2.gz OLCZXDGSRFXUPN-QBPKDAKJSA-N 2 1 364.494 0.071 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138501 1220839318 /nfs/dbraw/zinc/83/93/18/1220839318.db2.gz OLCZXDGSRFXUPN-QBPKDAKJSA-N 2 1 364.494 0.071 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103138501 1220839319 /nfs/dbraw/zinc/83/93/19/1220839319.db2.gz OLCZXDGSRFXUPN-QBPKDAKJSA-N 2 1 364.494 0.071 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103138501 1220839322 /nfs/dbraw/zinc/83/93/22/1220839322.db2.gz OLCZXDGSRFXUPN-QBPKDAKJSA-N 2 1 364.494 0.071 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001103234317 1220854619 /nfs/dbraw/zinc/85/46/19/1220854619.db2.gz LPGVJWAAZAOICP-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001103234317 1220854621 /nfs/dbraw/zinc/85/46/21/1220854621.db2.gz LPGVJWAAZAOICP-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103234395 1220855184 /nfs/dbraw/zinc/85/51/84/1220855184.db2.gz PNLMVCLLHWXGDQ-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103234395 1220855186 /nfs/dbraw/zinc/85/51/86/1220855186.db2.gz PNLMVCLLHWXGDQ-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237353 1220855915 /nfs/dbraw/zinc/85/59/15/1220855915.db2.gz TYUQTEWKQAAXJI-RBSFLKMASA-N 2 1 361.490 0.710 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237353 1220855918 /nfs/dbraw/zinc/85/59/18/1220855918.db2.gz TYUQTEWKQAAXJI-RBSFLKMASA-N 2 1 361.490 0.710 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103614173 1220913738 /nfs/dbraw/zinc/91/37/38/1220913738.db2.gz HPPRYPQWRCBWLS-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103614173 1220913743 /nfs/dbraw/zinc/91/37/43/1220913743.db2.gz HPPRYPQWRCBWLS-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103614173 1220913748 /nfs/dbraw/zinc/91/37/48/1220913748.db2.gz HPPRYPQWRCBWLS-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647195 1220927296 /nfs/dbraw/zinc/92/72/96/1220927296.db2.gz YZVOTDKKBLKZEJ-OWCLPIDISA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646905 1220927485 /nfs/dbraw/zinc/92/74/85/1220927485.db2.gz LVVLOHDJYOJCNI-IAGOWNOFSA-N 2 1 362.518 0.779 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721296 1220952268 /nfs/dbraw/zinc/95/22/68/1220952268.db2.gz MLQGSDVLSGRLFD-OAGGEKHMSA-N 2 1 363.510 0.609 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721296 1220952272 /nfs/dbraw/zinc/95/22/72/1220952272.db2.gz MLQGSDVLSGRLFD-OAGGEKHMSA-N 2 1 363.510 0.609 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721296 1220952274 /nfs/dbraw/zinc/95/22/74/1220952274.db2.gz MLQGSDVLSGRLFD-OAGGEKHMSA-N 2 1 363.510 0.609 20 0 FCADMP CCCn1nnnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721296 1220952278 /nfs/dbraw/zinc/95/22/78/1220952278.db2.gz MLQGSDVLSGRLFD-OAGGEKHMSA-N 2 1 363.510 0.609 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721251 1220952514 /nfs/dbraw/zinc/95/25/14/1220952514.db2.gz JLGDHCPKHBDGPL-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721251 1220952521 /nfs/dbraw/zinc/95/25/21/1220952521.db2.gz JLGDHCPKHBDGPL-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721251 1220952524 /nfs/dbraw/zinc/95/25/24/1220952524.db2.gz JLGDHCPKHBDGPL-BZUAXINKSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103724627 1220953496 /nfs/dbraw/zinc/95/34/96/1220953496.db2.gz MSXDALHULQPIHC-KZNAEPCWSA-N 2 1 371.522 0.038 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755333 1220965124 /nfs/dbraw/zinc/96/51/24/1220965124.db2.gz CNMSTFBVWMXLJW-SJLPKXTDSA-N 2 1 370.538 0.554 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755333 1220965134 /nfs/dbraw/zinc/96/51/34/1220965134.db2.gz CNMSTFBVWMXLJW-SJLPKXTDSA-N 2 1 370.538 0.554 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755333 1220965138 /nfs/dbraw/zinc/96/51/38/1220965138.db2.gz CNMSTFBVWMXLJW-SJLPKXTDSA-N 2 1 370.538 0.554 20 0 FCADMP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)ncn1 ZINC001104034140 1221001530 /nfs/dbraw/zinc/00/15/30/1221001530.db2.gz UMXHBMDKKRLJKZ-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)ncn1 ZINC001104034140 1221001533 /nfs/dbraw/zinc/00/15/33/1221001533.db2.gz UMXHBMDKKRLJKZ-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229502879 1226014961 /nfs/dbraw/zinc/01/49/61/1226014961.db2.gz AQGKHTZULCEJKI-HUUCEWRRSA-N 2 1 369.510 0.581 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2)[NH+](C)C ZINC001111789064 1221110101 /nfs/dbraw/zinc/11/01/01/1221110101.db2.gz VWPFSIAXLJPHIK-KHYOSLBOSA-N 2 1 364.490 0.446 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCNC(=O)C2CC2)C3)CC1 ZINC001111855658 1221137414 /nfs/dbraw/zinc/13/74/14/1221137414.db2.gz GVRRPRCGWOHGEQ-JXFKEZNVSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111870888 1221144231 /nfs/dbraw/zinc/14/42/31/1221144231.db2.gz QYQKVPFHPWUNCY-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111870888 1221144233 /nfs/dbraw/zinc/14/42/33/1221144233.db2.gz QYQKVPFHPWUNCY-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111870888 1221144234 /nfs/dbraw/zinc/14/42/34/1221144234.db2.gz QYQKVPFHPWUNCY-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOC)C2 ZINC001111908571 1221162254 /nfs/dbraw/zinc/16/22/54/1221162254.db2.gz GSERXCSPYAKIRW-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOC)C2 ZINC001111908571 1221162257 /nfs/dbraw/zinc/16/22/57/1221162257.db2.gz GSERXCSPYAKIRW-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939912 1221179478 /nfs/dbraw/zinc/17/94/78/1221179478.db2.gz ZTQBYNVHDVSTAB-HKUYNNGSSA-N 2 1 361.490 0.834 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001111939912 1221179480 /nfs/dbraw/zinc/17/94/80/1221179480.db2.gz ZTQBYNVHDVSTAB-HKUYNNGSSA-N 2 1 361.490 0.834 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939654 1221179901 /nfs/dbraw/zinc/17/99/01/1221179901.db2.gz KYZHYGNBGUZVNG-LPHOPBHVSA-N 2 1 361.490 0.834 20 0 FCADMP O=C(CCCn1ccnc1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001112021244 1221202697 /nfs/dbraw/zinc/20/26/97/1221202697.db2.gz BMCSTWRZJXCOEG-BXWFABGCSA-N 2 1 359.474 0.913 20 0 FCADMP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710634 1226029717 /nfs/dbraw/zinc/02/97/17/1226029717.db2.gz RJURFPJZNKZVEZ-HZPDHXFCSA-N 2 1 366.510 0.783 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)c2ccncc2)CC1 ZINC001116621710 1221375005 /nfs/dbraw/zinc/37/50/05/1221375005.db2.gz AZZRRGKJNALKQO-UHFFFAOYSA-N 2 1 354.414 0.597 20 0 FCADMP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CC=CC3)cc2)CC1 ZINC001116730241 1221385637 /nfs/dbraw/zinc/38/56/37/1221385637.db2.gz GQWPMYUUZIWJLX-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CC=CC3)cc2)CC1 ZINC001116730241 1221385642 /nfs/dbraw/zinc/38/56/42/1221385642.db2.gz GQWPMYUUZIWJLX-UHFFFAOYSA-N 2 1 371.485 0.755 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116791771 1221391044 /nfs/dbraw/zinc/39/10/44/1221391044.db2.gz SEDZJEPTIBWMSO-KRWDZBQOSA-N 2 1 370.457 0.940 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC001117295115 1221508590 /nfs/dbraw/zinc/50/85/90/1221508590.db2.gz STTHAHQEMHGYTH-UHFFFAOYSA-N 2 1 364.494 0.435 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001117359111 1221530526 /nfs/dbraw/zinc/53/05/26/1221530526.db2.gz GKGUAKLXABDKEN-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001230138127 1226057041 /nfs/dbraw/zinc/05/70/41/1226057041.db2.gz GYAVCBMUGBHQRR-DJIMGWMZSA-N 2 1 366.506 0.250 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147486 1226057811 /nfs/dbraw/zinc/05/78/11/1226057811.db2.gz GWNSGJJTQFKMND-ZIAGYGMSSA-N 2 1 364.450 0.054 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001119296124 1221898026 /nfs/dbraw/zinc/89/80/26/1221898026.db2.gz MLVDNFOAQBVKBV-AZUAARDMSA-N 2 1 360.502 0.817 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119425634 1221915793 /nfs/dbraw/zinc/91/57/93/1221915793.db2.gz ZVEQNIJHMYCIQK-AEFFLSMTSA-N 2 1 367.538 0.552 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001119427443 1221916693 /nfs/dbraw/zinc/91/66/93/1221916693.db2.gz PUPSIGGGGBSAOA-KSZLIROESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001119809969 1221976902 /nfs/dbraw/zinc/97/69/02/1221976902.db2.gz IDRBLYMGTURSIX-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001119809969 1221976913 /nfs/dbraw/zinc/97/69/13/1221976913.db2.gz IDRBLYMGTURSIX-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001119809969 1221976924 /nfs/dbraw/zinc/97/69/24/1221976924.db2.gz IDRBLYMGTURSIX-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001119809969 1221976934 /nfs/dbraw/zinc/97/69/34/1221976934.db2.gz IDRBLYMGTURSIX-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001120030604 1222010710 /nfs/dbraw/zinc/01/07/10/1222010710.db2.gz DWIURXDJPLGZAX-OKZBNKHCSA-N 2 1 372.517 0.795 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001120030604 1222010716 /nfs/dbraw/zinc/01/07/16/1222010716.db2.gz DWIURXDJPLGZAX-OKZBNKHCSA-N 2 1 372.517 0.795 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123632001 1222345035 /nfs/dbraw/zinc/34/50/35/1222345035.db2.gz XBVJODOCLNJBNR-DZOHQFGASA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123632001 1222345046 /nfs/dbraw/zinc/34/50/46/1222345046.db2.gz XBVJODOCLNJBNR-DZOHQFGASA-N 2 1 367.538 0.298 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123632001 1222345051 /nfs/dbraw/zinc/34/50/51/1222345051.db2.gz XBVJODOCLNJBNR-DZOHQFGASA-N 2 1 367.538 0.298 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001123636308 1222346000 /nfs/dbraw/zinc/34/60/00/1222346000.db2.gz KLRQYCZSKVEQEU-XLIONFOSSA-N 2 1 371.529 0.935 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000834575174 1222580155 /nfs/dbraw/zinc/58/01/55/1222580155.db2.gz BQYGYTSAWKMGIS-ZACQAIPSSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000834575174 1222580161 /nfs/dbraw/zinc/58/01/61/1222580161.db2.gz BQYGYTSAWKMGIS-ZACQAIPSSA-N 2 1 368.522 0.545 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccncc1O)CC2 ZINC001140276950 1222582457 /nfs/dbraw/zinc/58/24/57/1222582457.db2.gz USBQHDCTBWOMFM-UHFFFAOYSA-N 2 1 361.490 0.457 20 0 FCADMP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000836317103 1222621343 /nfs/dbraw/zinc/62/13/43/1222621343.db2.gz CMZQXVPTTZVVJZ-GOEBONIOSA-N 2 1 367.494 0.637 20 0 FCADMP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000836317103 1222621349 /nfs/dbraw/zinc/62/13/49/1222621349.db2.gz CMZQXVPTTZVVJZ-GOEBONIOSA-N 2 1 367.494 0.637 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(CN3C(=O)[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3=O)C[C@@H]21 ZINC000840129379 1222772854 /nfs/dbraw/zinc/77/28/54/1222772854.db2.gz BSZSPDWIEMPNBO-YRXWBPOGSA-N 2 1 368.481 0.697 20 0 FCADMP C[NH+]1CC[C@@H]2CN(CN3C(=O)[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3=O)C[C@@H]21 ZINC000840129379 1222772861 /nfs/dbraw/zinc/77/28/61/1222772861.db2.gz BSZSPDWIEMPNBO-YRXWBPOGSA-N 2 1 368.481 0.697 20 0 FCADMP C[NH+]1CC[C@@H]2CN(CN3C(=O)[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3=O)C[C@@H]21 ZINC000840129379 1222772866 /nfs/dbraw/zinc/77/28/66/1222772866.db2.gz BSZSPDWIEMPNBO-YRXWBPOGSA-N 2 1 368.481 0.697 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841144434 1222810018 /nfs/dbraw/zinc/81/00/18/1222810018.db2.gz ZSBFGPFZTXDSEE-OAHLLOKOSA-N 2 1 359.474 0.717 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC[NH2+]1 ZINC000841172909 1222811791 /nfs/dbraw/zinc/81/17/91/1222811791.db2.gz DHAJHAPMXRTJJN-HNNXBMFYSA-N 2 1 359.474 0.587 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000843243335 1222862084 /nfs/dbraw/zinc/86/20/84/1222862084.db2.gz ASZAKFSHHTYRGT-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000843243335 1222862085 /nfs/dbraw/zinc/86/20/85/1222862085.db2.gz ASZAKFSHHTYRGT-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000843243335 1222862086 /nfs/dbraw/zinc/86/20/86/1222862086.db2.gz ASZAKFSHHTYRGT-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000843243335 1222862089 /nfs/dbraw/zinc/86/20/89/1222862089.db2.gz ASZAKFSHHTYRGT-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000843243335 1222862091 /nfs/dbraw/zinc/86/20/91/1222862091.db2.gz ASZAKFSHHTYRGT-IXDOHACOSA-N 2 1 368.522 0.354 20 0 FCADMP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000843265398 1222868609 /nfs/dbraw/zinc/86/86/09/1222868609.db2.gz GAJNBRPWJXSISC-KRWDZBQOSA-N 2 1 367.538 0.249 20 0 FCADMP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000843265398 1222868611 /nfs/dbraw/zinc/86/86/11/1222868611.db2.gz GAJNBRPWJXSISC-KRWDZBQOSA-N 2 1 367.538 0.249 20 0 FCADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000843363483 1222873706 /nfs/dbraw/zinc/87/37/06/1222873706.db2.gz MGGJMHXGZHKHAK-UHFFFAOYSA-N 2 1 360.458 0.640 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362565 1222873826 /nfs/dbraw/zinc/87/38/26/1222873826.db2.gz KFOSAVFICNSQRT-PBHICJAKSA-N 2 1 360.458 0.911 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc(O)cc1 ZINC000843362565 1222873827 /nfs/dbraw/zinc/87/38/27/1222873827.db2.gz KFOSAVFICNSQRT-PBHICJAKSA-N 2 1 360.458 0.911 20 0 FCADMP [NH3+]C1(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000843501805 1222878971 /nfs/dbraw/zinc/87/89/71/1222878971.db2.gz QUFPMWJYRLXASW-GOSISDBHSA-N 2 1 360.502 0.865 20 0 FCADMP COCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881244 1222891373 /nfs/dbraw/zinc/89/13/73/1222891373.db2.gz IYWWPRJHUSKNDP-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881244 1222891375 /nfs/dbraw/zinc/89/13/75/1222891375.db2.gz IYWWPRJHUSKNDP-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881244 1222891376 /nfs/dbraw/zinc/89/13/76/1222891376.db2.gz IYWWPRJHUSKNDP-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881244 1222891377 /nfs/dbraw/zinc/89/13/77/1222891377.db2.gz IYWWPRJHUSKNDP-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH+](C)C3)cn21 ZINC001150398906 1222900405 /nfs/dbraw/zinc/90/04/05/1222900405.db2.gz HHQTXLDWVRHSJJ-HOTGVXAUSA-N 2 1 371.489 0.472 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH+](C)C3)cn21 ZINC001150398906 1222900409 /nfs/dbraw/zinc/90/04/09/1222900409.db2.gz HHQTXLDWVRHSJJ-HOTGVXAUSA-N 2 1 371.489 0.472 20 0 FCADMP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cn21 ZINC001150398906 1222900415 /nfs/dbraw/zinc/90/04/15/1222900415.db2.gz HHQTXLDWVRHSJJ-HOTGVXAUSA-N 2 1 371.489 0.472 20 0 FCADMP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cn21 ZINC001150398906 1222900418 /nfs/dbraw/zinc/90/04/18/1222900418.db2.gz HHQTXLDWVRHSJJ-HOTGVXAUSA-N 2 1 371.489 0.472 20 0 FCADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001152645924 1222953338 /nfs/dbraw/zinc/95/33/38/1222953338.db2.gz SYACAGCVSSVKQK-PMACEKPBSA-N 2 1 361.486 0.539 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]1C2 ZINC001154632882 1223013848 /nfs/dbraw/zinc/01/38/48/1223013848.db2.gz OPBVDUIAMLYQIJ-FLMCSSBNSA-N 2 1 358.398 0.247 20 0 FCADMP C(Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155596465 1223039323 /nfs/dbraw/zinc/03/93/23/1223039323.db2.gz HUZRIECSJAUWES-KUHUBIRLSA-N 2 1 374.489 0.487 20 0 FCADMP C[NH+]1CCN(c2nccc(N(Cc3ccccc3)C3(C[NH3+])COC3)n2)CC1 ZINC001156636054 1223060377 /nfs/dbraw/zinc/06/03/77/1223060377.db2.gz NZDKKVLUJGQOIO-UHFFFAOYSA-N 2 1 368.485 0.963 20 0 FCADMP NC[C@H]([NH3+])c1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)cc1 ZINC001157398624 1223076116 /nfs/dbraw/zinc/07/61/16/1223076116.db2.gz ILVPJVBBAMTVEU-IRXDYDNUSA-N 2 1 361.490 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC001158411556 1223096568 /nfs/dbraw/zinc/09/65/68/1223096568.db2.gz FMFSCKYZPNUUFG-RYQLBKOJSA-N 2 1 371.522 0.369 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001158413169 1223097459 /nfs/dbraw/zinc/09/74/59/1223097459.db2.gz WYJNPNGIWBOUGE-VHDGCEQUSA-N 2 1 367.494 0.189 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158661906 1223104846 /nfs/dbraw/zinc/10/48/46/1223104846.db2.gz ZKPAKFWNXPXEGR-ZDUSSCGKSA-N 2 1 373.461 0.490 20 0 FCADMP CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001158697841 1223105441 /nfs/dbraw/zinc/10/54/41/1223105441.db2.gz IMTCWZVFXFFJOK-UHFFFAOYSA-N 2 1 362.522 0.752 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001159411412 1223126596 /nfs/dbraw/zinc/12/65/96/1223126596.db2.gz BKAWVWGAFYFRFD-ROUUACIJSA-N 2 1 358.486 0.865 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425115 1223126914 /nfs/dbraw/zinc/12/69/14/1223126914.db2.gz PSOYFPLUYSTWGG-TVFCKZIOSA-N 3 1 361.490 0.338 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425115 1223126915 /nfs/dbraw/zinc/12/69/15/1223126915.db2.gz PSOYFPLUYSTWGG-TVFCKZIOSA-N 3 1 361.490 0.338 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001159481447 1223127819 /nfs/dbraw/zinc/12/78/19/1223127819.db2.gz PRXUJNGYGDFPRI-WSTZPKSXSA-N 3 1 364.534 0.520 20 0 FCADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159549158 1223129262 /nfs/dbraw/zinc/12/92/62/1223129262.db2.gz LQBKECBYNUCMGN-INIZCTEOSA-N 2 1 362.522 0.975 20 0 FCADMP [NH3+][C@H](C(=O)N1CCCn2cnc(CNC3CCC3)c2C1)C1CC[NH2+]CC1 ZINC001159561104 1223129970 /nfs/dbraw/zinc/12/99/70/1223129970.db2.gz WJPLGNKREXJOMD-SFHVURJKSA-N 2 1 360.506 0.584 20 0 FCADMP O=C(c1cnn2c1C[NH2+]CC2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159565956 1223130006 /nfs/dbraw/zinc/13/00/06/1223130006.db2.gz KZMYEMMNYZPDEX-UHFFFAOYSA-N 2 1 369.473 0.871 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663982 1223132717 /nfs/dbraw/zinc/13/27/17/1223132717.db2.gz BQIZCFDLZZSMRT-SQNIBIBYSA-N 2 1 360.458 0.262 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666086 1223132937 /nfs/dbraw/zinc/13/29/37/1223132937.db2.gz OYUNYUHLQVYGHQ-OKZBNKHCSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666086 1223132940 /nfs/dbraw/zinc/13/29/40/1223132940.db2.gz OYUNYUHLQVYGHQ-OKZBNKHCSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666086 1223132943 /nfs/dbraw/zinc/13/29/43/1223132943.db2.gz OYUNYUHLQVYGHQ-OKZBNKHCSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666080 1223133156 /nfs/dbraw/zinc/13/31/56/1223133156.db2.gz OYUNYUHLQVYGHQ-BZSNNMDCSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666080 1223133159 /nfs/dbraw/zinc/13/31/59/1223133159.db2.gz OYUNYUHLQVYGHQ-BZSNNMDCSA-N 2 1 370.457 0.176 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666080 1223133163 /nfs/dbraw/zinc/13/31/63/1223133163.db2.gz OYUNYUHLQVYGHQ-BZSNNMDCSA-N 2 1 370.457 0.176 20 0 FCADMP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C[NH2+]C4CC[NH2+]CC4)C[C@@H]32)C1=O ZINC001159688756 1223134072 /nfs/dbraw/zinc/13/40/72/1223134072.db2.gz URPGYQHGDHWAJL-SIXWZSSISA-N 2 1 361.490 0.216 20 0 FCADMP O=C(N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159854529 1223137877 /nfs/dbraw/zinc/13/78/77/1223137877.db2.gz FDZHZVIUZNIWCT-ODZKNYGOSA-N 2 1 374.460 0.441 20 0 FCADMP NC1(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159857036 1223138298 /nfs/dbraw/zinc/13/82/98/1223138298.db2.gz VKPMCPZWYLMNEY-WBVHZDCISA-N 3 1 362.449 0.571 20 0 FCADMP NC1(C(=O)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159857036 1223138299 /nfs/dbraw/zinc/13/82/99/1223138299.db2.gz VKPMCPZWYLMNEY-WBVHZDCISA-N 3 1 362.449 0.571 20 0 FCADMP [NH3+][C@@H](C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1)C1CC[NH2+]CC1 ZINC001160065275 1223144265 /nfs/dbraw/zinc/14/42/65/1223144265.db2.gz IARNCWSUVRFXIC-GOSISDBHSA-N 3 1 369.473 0.241 20 0 FCADMP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157022 1223147048 /nfs/dbraw/zinc/14/70/48/1223147048.db2.gz SRRCNSYKFMAYQZ-PNYFIKQUSA-N 2 1 363.502 0.857 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490845 1223162645 /nfs/dbraw/zinc/16/26/45/1223162645.db2.gz ZZZFYPWBRCYQRD-YJBOKZPZSA-N 2 1 361.490 0.258 20 0 FCADMP COC(=O)C1CCN(c2ccnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)n2)CC1 ZINC001160514108 1223163252 /nfs/dbraw/zinc/16/32/52/1223163252.db2.gz UCJOLFQYZXLYKJ-IBGZPJMESA-N 2 1 374.489 0.701 20 0 FCADMP COC(=O)C1CCN(c2nccnc2N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001160513884 1223163621 /nfs/dbraw/zinc/16/36/21/1223163621.db2.gz SEZWGPRIINNZML-LJQANCHMSA-N 2 1 374.489 0.701 20 0 FCADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001160538942 1223164116 /nfs/dbraw/zinc/16/41/16/1223164116.db2.gz LIFREZFLVMIENU-KBPBESRZSA-N 2 1 351.414 0.874 20 0 FCADMP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160709655 1223169129 /nfs/dbraw/zinc/16/91/29/1223169129.db2.gz HRMITOHLYKRTHZ-WIYYLYMNSA-N 2 1 354.498 0.987 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])c3ccccc3OC)C[C@H]1C2 ZINC001160793743 1223173293 /nfs/dbraw/zinc/17/32/93/1223173293.db2.gz GEXBCGHRYDYDSY-SVFVCSTESA-N 2 1 373.453 0.552 20 0 FCADMP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)CCN3)C[C@H]1C[NH2+]CC2 ZINC001160811958 1223174660 /nfs/dbraw/zinc/17/46/60/1223174660.db2.gz BJKMBSDSUSMLSB-ZRGWGRIASA-N 2 1 366.506 0.060 20 0 FCADMP O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160839954 1223176625 /nfs/dbraw/zinc/17/66/25/1223176625.db2.gz RUAZGCLACORHBS-LSDHHAIUSA-N 2 1 362.453 0.673 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C2CCCCC2)O1 ZINC001160858168 1223178048 /nfs/dbraw/zinc/17/80/48/1223178048.db2.gz YWYFEYBWMAQIDZ-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C2CCCCC2)O1 ZINC001160858168 1223178051 /nfs/dbraw/zinc/17/80/51/1223178051.db2.gz YWYFEYBWMAQIDZ-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001160857734 1223178141 /nfs/dbraw/zinc/17/81/41/1223178141.db2.gz NZAMZEVQHCPDFF-IJEWVQPXSA-N 2 1 366.462 0.272 20 0 FCADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001160857734 1223178146 /nfs/dbraw/zinc/17/81/46/1223178146.db2.gz NZAMZEVQHCPDFF-IJEWVQPXSA-N 2 1 366.462 0.272 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958740 1223181983 /nfs/dbraw/zinc/18/19/83/1223181983.db2.gz DTPAGQPGHBKHBI-SNPRPXQTSA-N 2 1 357.462 0.193 20 0 FCADMP CCOC(=O)CN1CCC(Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001161086352 1223184979 /nfs/dbraw/zinc/18/49/79/1223184979.db2.gz ZUPQIEBFWNTONU-UHFFFAOYSA-N 2 1 362.478 0.844 20 0 FCADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196818 1223189415 /nfs/dbraw/zinc/18/94/15/1223189415.db2.gz SGNXGKLKWCRJDK-MJGOQNOKSA-N 3 1 366.550 0.925 20 0 FCADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378269 1223196987 /nfs/dbraw/zinc/19/69/87/1223196987.db2.gz LKYYCVYRZWIOHA-HOTGVXAUSA-N 3 1 368.522 0.850 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191639 1223211212 /nfs/dbraw/zinc/21/12/12/1223211212.db2.gz WHPRZEIDYJVNMK-MRXNPFEDSA-N 2 1 360.506 0.859 20 0 FCADMP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](CCOCCO)CC1 ZINC001162283424 1223212888 /nfs/dbraw/zinc/21/28/88/1223212888.db2.gz ZMTAPEINFDQAEO-IAGOWNOFSA-N 2 1 371.522 0.180 20 0 FCADMP CCOC(=O)Cn1ccc2c1nc[nH+]c2NCc1nnc2n1CCC[NH2+]C2 ZINC001163011191 1223223096 /nfs/dbraw/zinc/22/30/96/1223223096.db2.gz FBBFTEONKANMES-UHFFFAOYSA-N 2 1 370.417 0.691 20 0 FCADMP CCOC(=O)CC1([NH3+])CCN(c2[nH+]cnc3[nH]cc(C(=O)OC)c32)CC1 ZINC001163528499 1223232046 /nfs/dbraw/zinc/23/20/46/1223232046.db2.gz TYTQYSKJRSPSNL-UHFFFAOYSA-N 2 1 361.402 0.995 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582003 1223240144 /nfs/dbraw/zinc/24/01/44/1223240144.db2.gz BNEQOOGSHLXCAJ-HZPDHXFCSA-N 2 1 367.538 0.910 20 0 FCADMP Cc1cnc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001165728023 1223255344 /nfs/dbraw/zinc/25/53/44/1223255344.db2.gz LYHJPKXVPVCJBI-NVXWUHKLSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cnc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001165728023 1223255349 /nfs/dbraw/zinc/25/53/49/1223255349.db2.gz LYHJPKXVPVCJBI-NVXWUHKLSA-N 2 1 361.490 0.880 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001165728718 1223255388 /nfs/dbraw/zinc/25/53/88/1223255388.db2.gz RFDKDCKUEOVMQE-RBSFLKMASA-N 2 1 364.494 0.471 20 0 FCADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001165728718 1223255391 /nfs/dbraw/zinc/25/53/91/1223255391.db2.gz RFDKDCKUEOVMQE-RBSFLKMASA-N 2 1 364.494 0.471 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001205318724 1223319525 /nfs/dbraw/zinc/31/95/25/1223319525.db2.gz ONGNFCWHKHJZCY-DLBZAZTESA-N 2 1 364.465 0.927 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516409 1223329764 /nfs/dbraw/zinc/32/97/64/1223329764.db2.gz CHSIBCOCPCYVOA-JKSUJKDBSA-N 2 1 366.506 0.143 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516409 1223329765 /nfs/dbraw/zinc/32/97/65/1223329765.db2.gz CHSIBCOCPCYVOA-JKSUJKDBSA-N 2 1 366.506 0.143 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205516409 1223329766 /nfs/dbraw/zinc/32/97/66/1223329766.db2.gz CHSIBCOCPCYVOA-JKSUJKDBSA-N 2 1 366.506 0.143 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205686160 1223334980 /nfs/dbraw/zinc/33/49/80/1223334980.db2.gz WTUAPGRODGDXEU-JLJPHGGASA-N 2 1 362.449 0.407 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cccc(=O)[nH]3)CC2)C1 ZINC001207068020 1223412035 /nfs/dbraw/zinc/41/20/35/1223412035.db2.gz CNECWSCYYIOGTA-UHFFFAOYSA-N 2 1 362.474 0.790 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543052 1223453344 /nfs/dbraw/zinc/45/33/44/1223453344.db2.gz CFWSBQPKAJNKAQ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543052 1223453347 /nfs/dbraw/zinc/45/33/47/1223453347.db2.gz CFWSBQPKAJNKAQ-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705683 1223472561 /nfs/dbraw/zinc/47/25/61/1223472561.db2.gz GXDKDHUGIXFYFP-NVXWUHKLSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705683 1223472562 /nfs/dbraw/zinc/47/25/62/1223472562.db2.gz GXDKDHUGIXFYFP-NVXWUHKLSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784216 1223479194 /nfs/dbraw/zinc/47/91/94/1223479194.db2.gz GGZXKWCSMQZASS-OIISXLGYSA-N 2 1 359.474 0.575 20 0 FCADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395755 1223538063 /nfs/dbraw/zinc/53/80/63/1223538063.db2.gz FDIQEQVOYHFBBH-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395755 1223538065 /nfs/dbraw/zinc/53/80/65/1223538065.db2.gz FDIQEQVOYHFBBH-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395755 1223538067 /nfs/dbraw/zinc/53/80/67/1223538067.db2.gz FDIQEQVOYHFBBH-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]2C)C1 ZINC001208395755 1223538070 /nfs/dbraw/zinc/53/80/70/1223538070.db2.gz FDIQEQVOYHFBBH-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612184 1223564150 /nfs/dbraw/zinc/56/41/50/1223564150.db2.gz GJHHAKTZHWLIOK-RBUKOAKNSA-N 2 1 360.550 0.904 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952871 1223587291 /nfs/dbraw/zinc/58/72/91/1223587291.db2.gz WCCWCVAAZUNYKJ-FPOVZHCZSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952871 1223587298 /nfs/dbraw/zinc/58/72/98/1223587298.db2.gz WCCWCVAAZUNYKJ-FPOVZHCZSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208952871 1223587302 /nfs/dbraw/zinc/58/73/02/1223587302.db2.gz WCCWCVAAZUNYKJ-FPOVZHCZSA-N 2 1 370.497 0.931 20 0 FCADMP CC(=O)N1CC(=O)NC[C@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208952871 1223587305 /nfs/dbraw/zinc/58/73/05/1223587305.db2.gz WCCWCVAAZUNYKJ-FPOVZHCZSA-N 2 1 370.497 0.931 20 0 FCADMP Cc1cccc(CO[C@@H]2C[C@H]3CN(CCN4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289502 1223608084 /nfs/dbraw/zinc/60/80/84/1223608084.db2.gz DKUFSPBFDBKHBE-VQTJNVASSA-N 2 1 360.502 0.997 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001209649669 1223637881 /nfs/dbraw/zinc/63/78/81/1223637881.db2.gz WIVLOOSPYJFYKT-ZIAGYGMSSA-N 2 1 367.494 0.095 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667836 1223647841 /nfs/dbraw/zinc/64/78/41/1223647841.db2.gz LOSIKYICZKLUAD-LJQANCHMSA-N 2 1 370.513 0.677 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667836 1223647844 /nfs/dbraw/zinc/64/78/44/1223647844.db2.gz LOSIKYICZKLUAD-LJQANCHMSA-N 2 1 370.513 0.677 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667836 1223647846 /nfs/dbraw/zinc/64/78/46/1223647846.db2.gz LOSIKYICZKLUAD-LJQANCHMSA-N 2 1 370.513 0.677 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829930 1223652014 /nfs/dbraw/zinc/65/20/14/1223652014.db2.gz OAHCIMXAZRBXNI-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830235 1223652170 /nfs/dbraw/zinc/65/21/70/1223652170.db2.gz VFBILZXROWUWNI-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830235 1223652173 /nfs/dbraw/zinc/65/21/73/1223652173.db2.gz VFBILZXROWUWNI-CKEIUWERSA-N 2 1 366.506 0.201 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836178 1223652550 /nfs/dbraw/zinc/65/25/50/1223652550.db2.gz ITSDESQZRIWECF-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836178 1223652552 /nfs/dbraw/zinc/65/25/52/1223652552.db2.gz ITSDESQZRIWECF-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)CC1 ZINC001209958122 1223658637 /nfs/dbraw/zinc/65/86/37/1223658637.db2.gz UEDDLIZLYNNAKR-VNHYZAJKSA-N 2 1 367.494 0.127 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)CC1 ZINC001209958122 1223658639 /nfs/dbraw/zinc/65/86/39/1223658639.db2.gz UEDDLIZLYNNAKR-VNHYZAJKSA-N 2 1 367.494 0.127 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210033720 1223662823 /nfs/dbraw/zinc/66/28/23/1223662823.db2.gz XHLCWJHXDAMEFR-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210033720 1223662827 /nfs/dbraw/zinc/66/28/27/1223662827.db2.gz XHLCWJHXDAMEFR-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210033720 1223662830 /nfs/dbraw/zinc/66/28/30/1223662830.db2.gz XHLCWJHXDAMEFR-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210033720 1223662834 /nfs/dbraw/zinc/66/28/34/1223662834.db2.gz XHLCWJHXDAMEFR-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210498342 1223694263 /nfs/dbraw/zinc/69/42/63/1223694263.db2.gz LIWMILKMKAKUJH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210498342 1223694266 /nfs/dbraw/zinc/69/42/66/1223694266.db2.gz LIWMILKMKAKUJH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210498342 1223694268 /nfs/dbraw/zinc/69/42/68/1223694268.db2.gz LIWMILKMKAKUJH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210498342 1223694269 /nfs/dbraw/zinc/69/42/69/1223694269.db2.gz LIWMILKMKAKUJH-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326202 1223734875 /nfs/dbraw/zinc/73/48/75/1223734875.db2.gz DWZZXFASQHRVPD-KZNAEPCWSA-N 2 1 363.506 0.557 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322671 1223784244 /nfs/dbraw/zinc/78/42/44/1223784244.db2.gz NFQDUUIIHZCBDN-RCCFBDPRSA-N 2 1 371.522 0.587 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322671 1223784245 /nfs/dbraw/zinc/78/42/45/1223784245.db2.gz NFQDUUIIHZCBDN-RCCFBDPRSA-N 2 1 371.522 0.587 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2OC)C1 ZINC001213322671 1223784254 /nfs/dbraw/zinc/78/42/54/1223784254.db2.gz NFQDUUIIHZCBDN-RCCFBDPRSA-N 2 1 371.522 0.587 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327668 1223785386 /nfs/dbraw/zinc/78/53/86/1223785386.db2.gz NZAOOPTWSGMRSS-QMCVQRASSA-N 2 1 366.506 0.058 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327668 1223785391 /nfs/dbraw/zinc/78/53/91/1223785391.db2.gz NZAOOPTWSGMRSS-QMCVQRASSA-N 2 1 366.506 0.058 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001213327668 1223785396 /nfs/dbraw/zinc/78/53/96/1223785396.db2.gz NZAOOPTWSGMRSS-QMCVQRASSA-N 2 1 366.506 0.058 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001213327668 1223785397 /nfs/dbraw/zinc/78/53/97/1223785397.db2.gz NZAOOPTWSGMRSS-QMCVQRASSA-N 2 1 366.506 0.058 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576719 1223817026 /nfs/dbraw/zinc/81/70/26/1223817026.db2.gz ULYLROPUMFWAMD-QZTJIDSGSA-N 2 1 371.522 0.731 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576719 1223817030 /nfs/dbraw/zinc/81/70/30/1223817030.db2.gz ULYLROPUMFWAMD-QZTJIDSGSA-N 2 1 371.522 0.731 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638212 1223825715 /nfs/dbraw/zinc/82/57/15/1223825715.db2.gz DANWSMRXVXOKDA-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764910 1223845815 /nfs/dbraw/zinc/84/58/15/1223845815.db2.gz KNBDSOOOBPQOHA-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764910 1223845816 /nfs/dbraw/zinc/84/58/16/1223845816.db2.gz KNBDSOOOBPQOHA-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764910 1223845818 /nfs/dbraw/zinc/84/58/18/1223845818.db2.gz KNBDSOOOBPQOHA-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863232 1223863548 /nfs/dbraw/zinc/86/35/48/1223863548.db2.gz IACTVUNBLNFVRY-BHIYHBOVSA-N 2 1 361.486 0.970 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863045 1223863906 /nfs/dbraw/zinc/86/39/06/1223863906.db2.gz ASHWKBWGYSXEOZ-CGTJXYLNSA-N 2 1 369.506 0.197 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863992 1223863974 /nfs/dbraw/zinc/86/39/74/1223863974.db2.gz XCBCRNSHNKAUCA-RCCFBDPRSA-N 2 1 371.522 0.587 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914801 1223871160 /nfs/dbraw/zinc/87/11/60/1223871160.db2.gz XKRCKPXRMFVEIM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914801 1223871162 /nfs/dbraw/zinc/87/11/62/1223871162.db2.gz XKRCKPXRMFVEIM-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922116 1223872996 /nfs/dbraw/zinc/87/29/96/1223872996.db2.gz RVEYJJRWJBJTKD-BRWVUGGUSA-N 2 1 368.522 0.722 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922116 1223872998 /nfs/dbraw/zinc/87/29/98/1223872998.db2.gz RVEYJJRWJBJTKD-BRWVUGGUSA-N 2 1 368.522 0.722 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921660 1223873043 /nfs/dbraw/zinc/87/30/43/1223873043.db2.gz FXYQQYXIHNZIGE-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921660 1223873044 /nfs/dbraw/zinc/87/30/44/1223873044.db2.gz FXYQQYXIHNZIGE-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276709400 1223895869 /nfs/dbraw/zinc/89/58/69/1223895869.db2.gz MMANTLJBJRZHKZ-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276709400 1223895870 /nfs/dbraw/zinc/89/58/70/1223895870.db2.gz MMANTLJBJRZHKZ-LJQANCHMSA-N 2 1 362.474 0.845 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001214336123 1223902289 /nfs/dbraw/zinc/90/22/89/1223902289.db2.gz UWHKXIGNFIDJCW-MCIONIFRSA-N 2 1 367.494 0.141 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597731 1223924835 /nfs/dbraw/zinc/92/48/35/1223924835.db2.gz OIGRYTREZAPUMW-ZACQAIPSSA-N 2 1 368.522 0.448 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597523 1223924990 /nfs/dbraw/zinc/92/49/90/1223924990.db2.gz LGSTZNGXFSSCJD-KFWWJZLASA-N 2 1 367.494 0.141 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214610957 1223925976 /nfs/dbraw/zinc/92/59/76/1223925976.db2.gz IKJMUOIVAXESJK-KFWWJZLASA-N 2 1 363.462 0.922 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214779901 1223941719 /nfs/dbraw/zinc/94/17/19/1223941719.db2.gz CQTVMUUXZRYDIL-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCOC1CCC1 ZINC001214853289 1223948097 /nfs/dbraw/zinc/94/80/97/1223948097.db2.gz XHZDESXFNJZVFU-KBAYOESNSA-N 2 1 363.506 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214856013 1223948590 /nfs/dbraw/zinc/94/85/90/1223948590.db2.gz URANZOMAEQVUKD-BMFZPTHFSA-N 2 1 359.474 0.818 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001215001328 1223962654 /nfs/dbraw/zinc/96/26/54/1223962654.db2.gz DJIDSXRYFAJONI-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001215000055 1223962782 /nfs/dbraw/zinc/96/27/82/1223962782.db2.gz WACRXCPOGIIGFC-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215184607 1223980730 /nfs/dbraw/zinc/98/07/30/1223980730.db2.gz LARHDUZYSNWXAJ-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000978175807 1248716818 /nfs/dbraw/zinc/71/68/18/1248716818.db2.gz HVBWZSKJKXXNJA-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC000978175807 1248716826 /nfs/dbraw/zinc/71/68/26/1248716826.db2.gz HVBWZSKJKXXNJA-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC000978175807 1248716830 /nfs/dbraw/zinc/71/68/30/1248716830.db2.gz HVBWZSKJKXXNJA-NNPSNHGLSA-N 2 1 362.518 0.633 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001215380871 1223994850 /nfs/dbraw/zinc/99/48/50/1223994850.db2.gz DWQWUNXMOLUJFS-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410441 1223997813 /nfs/dbraw/zinc/99/78/13/1223997813.db2.gz UTQLEWDKCCIZGQ-UKPHBRMFSA-N 2 1 361.490 0.717 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568370 1224006676 /nfs/dbraw/zinc/00/66/76/1224006676.db2.gz NOPNOGCVFQLYJS-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+]1CCCC1 ZINC001215598565 1224008283 /nfs/dbraw/zinc/00/82/83/1224008283.db2.gz DDVBGORHEYVLSF-HLLBOEOZSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001215938723 1224025724 /nfs/dbraw/zinc/02/57/24/1224025724.db2.gz LFXJVKBHYZTYBK-KZNAEPCWSA-N 2 1 369.506 0.341 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(=O)N(C)C ZINC001216081374 1224033561 /nfs/dbraw/zinc/03/35/61/1224033561.db2.gz AIQLPYUOLMEEDO-JKIFEVAISA-N 2 1 370.457 0.794 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216502449 1224053393 /nfs/dbraw/zinc/05/33/93/1224053393.db2.gz BJWBNDOOBJNKJF-QLFBSQMISA-N 2 1 362.478 0.582 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C)C1CC1 ZINC001216801340 1224073659 /nfs/dbraw/zinc/07/36/59/1224073659.db2.gz LPMLVOCUWFJPBH-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C)C1CC1 ZINC001216801340 1224073661 /nfs/dbraw/zinc/07/36/61/1224073661.db2.gz LPMLVOCUWFJPBH-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001216830065 1224076010 /nfs/dbraw/zinc/07/60/10/1224076010.db2.gz JLHRBAAIDKWWJI-GDBMZVCRSA-N 2 1 361.494 0.821 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216844822 1224078648 /nfs/dbraw/zinc/07/86/48/1224078648.db2.gz KPENJXMXOVHJEK-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216845032 1224078680 /nfs/dbraw/zinc/07/86/80/1224078680.db2.gz URKOJPHXZORWHO-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216854277 1224079016 /nfs/dbraw/zinc/07/90/16/1224079016.db2.gz XEJKBAXUTJNTCR-HUUCEWRRSA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987463441 1249028972 /nfs/dbraw/zinc/02/89/72/1249028972.db2.gz HNCUQCPZIDFESG-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000988029571 1249302953 /nfs/dbraw/zinc/30/29/53/1249302953.db2.gz AZORFBIMIQGCNA-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC000993267159 1249415305 /nfs/dbraw/zinc/41/53/05/1249415305.db2.gz WDMDXLYNWMBCCT-MIALQEHNSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n[nH]1 ZINC000823771487 1245321228 /nfs/dbraw/zinc/32/12/28/1245321228.db2.gz SSZOYRKLWKMEMU-SJORKVTESA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n[nH]1 ZINC000823771487 1245321233 /nfs/dbraw/zinc/32/12/33/1245321233.db2.gz SSZOYRKLWKMEMU-SJORKVTESA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000823771487 1245321236 /nfs/dbraw/zinc/32/12/36/1245321236.db2.gz SSZOYRKLWKMEMU-SJORKVTESA-N 2 1 374.489 0.555 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000823771487 1245321241 /nfs/dbraw/zinc/32/12/41/1245321241.db2.gz SSZOYRKLWKMEMU-SJORKVTESA-N 2 1 374.489 0.555 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cccc2nonc21 ZINC000847507358 1245341545 /nfs/dbraw/zinc/34/15/45/1245341545.db2.gz QVALCHCQECCNBK-UHFFFAOYSA-N 2 1 374.445 0.646 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cccc2nonc21 ZINC000847507358 1245341548 /nfs/dbraw/zinc/34/15/48/1245341548.db2.gz QVALCHCQECCNBK-UHFFFAOYSA-N 2 1 374.445 0.646 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849116984 1245392828 /nfs/dbraw/zinc/39/28/28/1245392828.db2.gz XQQNNKKMAPFPQM-QGZVFWFLSA-N 3 1 366.554 0.381 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891480247 1245451302 /nfs/dbraw/zinc/45/13/02/1245451302.db2.gz ADNJKCABIQHWDW-YVSFHVDLSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000891597313 1245457116 /nfs/dbraw/zinc/45/71/16/1245457116.db2.gz GXTDZOPSDKDTJQ-KURKYZTESA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000891597313 1245457117 /nfs/dbraw/zinc/45/71/17/1245457117.db2.gz GXTDZOPSDKDTJQ-KURKYZTESA-N 2 1 368.522 0.584 20 0 FCADMP O=C([C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000923282343 1245705119 /nfs/dbraw/zinc/70/51/19/1245705119.db2.gz NQLQMURXGHSPFN-HZPDHXFCSA-N 2 1 365.449 0.709 20 0 FCADMP O=C(COc1ccc(F)cc1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923304544 1245707473 /nfs/dbraw/zinc/70/74/73/1245707473.db2.gz BMSSNTPCBRFUIM-KRWDZBQOSA-N 2 1 363.433 0.727 20 0 FCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000923326809 1245709568 /nfs/dbraw/zinc/70/95/68/1245709568.db2.gz LEVVTWIYDOOTDM-XWSJACJDSA-N 2 1 359.518 0.766 20 0 FCADMP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000923326809 1245709579 /nfs/dbraw/zinc/70/95/79/1245709579.db2.gz LEVVTWIYDOOTDM-XWSJACJDSA-N 2 1 359.518 0.766 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000923321512 1245709812 /nfs/dbraw/zinc/70/98/12/1245709812.db2.gz GPZAMPSBWJEWKM-QZTJIDSGSA-N 2 1 366.506 0.792 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923379112 1245712446 /nfs/dbraw/zinc/71/24/46/1245712446.db2.gz XTEMDINHGKHLNC-BHIYHBOVSA-N 2 1 374.485 0.646 20 0 FCADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366860 1245713390 /nfs/dbraw/zinc/71/33/90/1245713390.db2.gz PLPMKRFITBULOU-MSOLQXFVSA-N 2 1 362.474 0.364 20 0 FCADMP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923517596 1245725341 /nfs/dbraw/zinc/72/53/41/1245725341.db2.gz FMVAOLCFVCYSRX-ZWKOTPCHSA-N 2 1 364.534 0.929 20 0 FCADMP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923517596 1245725348 /nfs/dbraw/zinc/72/53/48/1245725348.db2.gz FMVAOLCFVCYSRX-ZWKOTPCHSA-N 2 1 364.534 0.929 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000938608966 1245887923 /nfs/dbraw/zinc/88/79/23/1245887923.db2.gz GKOBQMQQVRQEOW-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000938608966 1245887932 /nfs/dbraw/zinc/88/79/32/1245887932.db2.gz GKOBQMQQVRQEOW-IXDOHACOSA-N 2 1 361.490 0.981 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000941220380 1246506272 /nfs/dbraw/zinc/50/62/72/1246506272.db2.gz QCYORMIQPCIVLI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000941220380 1246506276 /nfs/dbraw/zinc/50/62/76/1246506276.db2.gz QCYORMIQPCIVLI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941220380 1246506282 /nfs/dbraw/zinc/50/62/82/1246506282.db2.gz QCYORMIQPCIVLI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941220380 1246506285 /nfs/dbraw/zinc/50/62/85/1246506285.db2.gz QCYORMIQPCIVLI-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000941220383 1246506736 /nfs/dbraw/zinc/50/67/36/1246506736.db2.gz QCYORMIQPCIVLI-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000941220383 1246506744 /nfs/dbraw/zinc/50/67/44/1246506744.db2.gz QCYORMIQPCIVLI-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941220383 1246506751 /nfs/dbraw/zinc/50/67/51/1246506751.db2.gz QCYORMIQPCIVLI-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941220383 1246506757 /nfs/dbraw/zinc/50/67/57/1246506757.db2.gz QCYORMIQPCIVLI-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942120699 1246987238 /nfs/dbraw/zinc/98/72/38/1246987238.db2.gz OSVOICVMWBYYEF-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000994239121 1250307265 /nfs/dbraw/zinc/30/72/65/1250307265.db2.gz IJGKJVPJSWUFEW-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000942816885 1247192587 /nfs/dbraw/zinc/19/25/87/1247192587.db2.gz ZSSDNHFTZCVWRL-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000942816885 1247192593 /nfs/dbraw/zinc/19/25/93/1247192593.db2.gz ZSSDNHFTZCVWRL-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942845726 1247197638 /nfs/dbraw/zinc/19/76/38/1247197638.db2.gz HVNYDMWZWSWPNJ-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942845726 1247197643 /nfs/dbraw/zinc/19/76/43/1247197643.db2.gz HVNYDMWZWSWPNJ-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943590977 1247361211 /nfs/dbraw/zinc/36/12/11/1247361211.db2.gz AQUHXHVSJZNASV-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000943590977 1247361220 /nfs/dbraw/zinc/36/12/20/1247361220.db2.gz AQUHXHVSJZNASV-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000943590977 1247361233 /nfs/dbraw/zinc/36/12/33/1247361233.db2.gz AQUHXHVSJZNASV-USXIJHARSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000944052864 1247459066 /nfs/dbraw/zinc/45/90/66/1247459066.db2.gz XEASUADIKCJNHI-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000944137854 1247485272 /nfs/dbraw/zinc/48/52/72/1247485272.db2.gz BRUYXYDJBDRRBL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000944137854 1247485273 /nfs/dbraw/zinc/48/52/73/1247485273.db2.gz BRUYXYDJBDRRBL-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC3)CC[N@H+]1C ZINC000944884457 1247675238 /nfs/dbraw/zinc/67/52/38/1247675238.db2.gz PHAKUMFAPHRVDD-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC3)CC[NH+]1C ZINC000944884457 1247675253 /nfs/dbraw/zinc/67/52/53/1247675253.db2.gz PHAKUMFAPHRVDD-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC3)CC[NH+]1C ZINC000944884457 1247675263 /nfs/dbraw/zinc/67/52/63/1247675263.db2.gz PHAKUMFAPHRVDD-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC3)CC[N@H+]1C ZINC000944940947 1247686322 /nfs/dbraw/zinc/68/63/22/1247686322.db2.gz PYVKDTOXVHFGMM-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC3)CC[NH+]1C ZINC000944940947 1247686325 /nfs/dbraw/zinc/68/63/25/1247686325.db2.gz PYVKDTOXVHFGMM-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC3)CC[NH+]1C ZINC000944940947 1247686329 /nfs/dbraw/zinc/68/63/29/1247686329.db2.gz PYVKDTOXVHFGMM-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946631407 1247926708 /nfs/dbraw/zinc/92/67/08/1247926708.db2.gz GCIHTGAASMMCSA-ORDFZIBCSA-N 2 1 371.485 0.962 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946775409 1248006038 /nfs/dbraw/zinc/00/60/38/1248006038.db2.gz IEGUGOPMMPDHHO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946775409 1248006044 /nfs/dbraw/zinc/00/60/44/1248006044.db2.gz IEGUGOPMMPDHHO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946775409 1248006054 /nfs/dbraw/zinc/00/60/54/1248006054.db2.gz IEGUGOPMMPDHHO-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000946775789 1248008606 /nfs/dbraw/zinc/00/86/06/1248008606.db2.gz QHQGLLIRPPLASY-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976601915 1248281747 /nfs/dbraw/zinc/28/17/47/1248281747.db2.gz YVJSCRSBDCQCJX-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976601915 1248281755 /nfs/dbraw/zinc/28/17/55/1248281755.db2.gz YVJSCRSBDCQCJX-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976601915 1248281763 /nfs/dbraw/zinc/28/17/63/1248281763.db2.gz YVJSCRSBDCQCJX-OBRKIGFESA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C ZINC000976677970 1248334835 /nfs/dbraw/zinc/33/48/35/1248334835.db2.gz ZYWVNOZOMMZDMH-UDOHHAEJSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1C ZINC000976677970 1248334845 /nfs/dbraw/zinc/33/48/45/1248334845.db2.gz ZYWVNOZOMMZDMH-UDOHHAEJSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1C ZINC000976894114 1248447269 /nfs/dbraw/zinc/44/72/69/1248447269.db2.gz ZCRDTQCZIHBFHL-FUEZWAHWSA-N 2 1 367.453 0.861 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994315903 1250367420 /nfs/dbraw/zinc/36/74/20/1250367420.db2.gz SBXFAMGEARDJNY-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995830685 1250998062 /nfs/dbraw/zinc/99/80/62/1250998062.db2.gz HLLOSFIIDRKKSY-KFWWJZLASA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)O1 ZINC000995955274 1251090057 /nfs/dbraw/zinc/09/00/57/1251090057.db2.gz DJXFKCWIBLETJM-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)O1 ZINC000995955274 1251090061 /nfs/dbraw/zinc/09/00/61/1251090061.db2.gz DJXFKCWIBLETJM-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000996572895 1251390391 /nfs/dbraw/zinc/39/03/91/1251390391.db2.gz QEYLXDPRAIFZJA-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000996572895 1251390402 /nfs/dbraw/zinc/39/04/02/1251390402.db2.gz QEYLXDPRAIFZJA-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000996718247 1251424988 /nfs/dbraw/zinc/42/49/88/1251424988.db2.gz NFKSLCIQPHQFQF-CRAIPNDOSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000996718247 1251424995 /nfs/dbraw/zinc/42/49/95/1251424995.db2.gz NFKSLCIQPHQFQF-CRAIPNDOSA-N 2 1 363.506 0.745 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH+]3CCN(CCF)CC3)CC2)O1 ZINC000996775047 1251428706 /nfs/dbraw/zinc/42/87/06/1251428706.db2.gz CWUOSGWOQMMHLT-AQEOSJORSA-N 2 1 370.513 0.720 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH+]3CCN(CCF)CC3)CC2)O1 ZINC000996775047 1251428716 /nfs/dbraw/zinc/42/87/16/1251428716.db2.gz CWUOSGWOQMMHLT-AQEOSJORSA-N 2 1 370.513 0.720 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997178256 1251504549 /nfs/dbraw/zinc/50/45/49/1251504549.db2.gz RPGIEHXDMJZSQK-JFIYKMOQSA-N 2 1 363.506 0.819 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997178256 1251504559 /nfs/dbraw/zinc/50/45/59/1251504559.db2.gz RPGIEHXDMJZSQK-JFIYKMOQSA-N 2 1 363.506 0.819 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000998470272 1251889908 /nfs/dbraw/zinc/88/99/08/1251889908.db2.gz ZLLJNMMHWPCZRL-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000998470272 1251889927 /nfs/dbraw/zinc/88/99/27/1251889927.db2.gz ZLLJNMMHWPCZRL-ORQFMDKSSA-N 2 1 359.474 0.781 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ncc[nH]2)C3)CC[N@H+]1C ZINC000999735596 1252183519 /nfs/dbraw/zinc/18/35/19/1252183519.db2.gz OJQBDXBNNNMLPK-CWVYHPPDSA-N 2 1 359.474 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCO)C3)nn2)CC[N@H+]1C ZINC000999985444 1252258877 /nfs/dbraw/zinc/25/88/77/1252258877.db2.gz CDWIQOISSWQVPJ-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999985444 1252258885 /nfs/dbraw/zinc/25/88/85/1252258885.db2.gz CDWIQOISSWQVPJ-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CCCO)C3)nn2)CC[NH+]1C ZINC000999985444 1252258891 /nfs/dbraw/zinc/25/88/91/1252258891.db2.gz CDWIQOISSWQVPJ-YESZJQIVSA-N 2 1 364.494 0.254 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC001002246106 1252488337 /nfs/dbraw/zinc/48/83/37/1252488337.db2.gz LYGDXJIKDULFNJ-IUODEOHRSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC001002246106 1252488340 /nfs/dbraw/zinc/48/83/40/1252488340.db2.gz LYGDXJIKDULFNJ-IUODEOHRSA-N 2 1 363.462 0.265 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC001002258879 1252492887 /nfs/dbraw/zinc/49/28/87/1252492887.db2.gz UXLZEKZHTAGZPI-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC001002258879 1252492894 /nfs/dbraw/zinc/49/28/94/1252492894.db2.gz UXLZEKZHTAGZPI-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002258879 1252492897 /nfs/dbraw/zinc/49/28/97/1252492897.db2.gz UXLZEKZHTAGZPI-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC001002258879 1252492906 /nfs/dbraw/zinc/49/29/06/1252492906.db2.gz UXLZEKZHTAGZPI-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CC[NH+](C)CC2)C3)C1 ZINC001002613309 1252616483 /nfs/dbraw/zinc/61/64/83/1252616483.db2.gz JUELLXZZBIUIPB-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)C1 ZINC001002795255 1252678950 /nfs/dbraw/zinc/67/89/50/1252678950.db2.gz LTSQKUPYIRAESY-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001002832943 1252695973 /nfs/dbraw/zinc/69/59/73/1252695973.db2.gz BATALAKECHSAQR-XLMAVXFVSA-N 2 1 359.474 0.780 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC001002880623 1252724646 /nfs/dbraw/zinc/72/46/46/1252724646.db2.gz QGXNJTKVLWBMSX-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC001002880623 1252724652 /nfs/dbraw/zinc/72/46/52/1252724652.db2.gz QGXNJTKVLWBMSX-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC001002880623 1252724655 /nfs/dbraw/zinc/72/46/55/1252724655.db2.gz QGXNJTKVLWBMSX-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC001002880623 1252724658 /nfs/dbraw/zinc/72/46/58/1252724658.db2.gz QGXNJTKVLWBMSX-HDEZJCGLSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)O1 ZINC001003139034 1252789299 /nfs/dbraw/zinc/78/92/99/1252789299.db2.gz NQHQTOKYPJJBKD-DNVCBOLYSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)O1 ZINC001003139034 1252789306 /nfs/dbraw/zinc/78/93/06/1252789306.db2.gz NQHQTOKYPJJBKD-DNVCBOLYSA-N 2 1 361.486 0.979 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003744692 1253087614 /nfs/dbraw/zinc/08/76/14/1253087614.db2.gz AFSYYBHHWKPLJD-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003745297 1253087870 /nfs/dbraw/zinc/08/78/70/1253087870.db2.gz IAHADERASOILJJ-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001519200617 1265708254 /nfs/dbraw/zinc/70/82/54/1265708254.db2.gz MTDVYYRJDHDFGW-KRWDZBQOSA-N 2 1 368.551 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC001004210253 1253247736 /nfs/dbraw/zinc/24/77/36/1253247736.db2.gz IREPWSNKQRXQJQ-ZACQAIPSSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC001004210253 1253247750 /nfs/dbraw/zinc/24/77/50/1253247750.db2.gz IREPWSNKQRXQJQ-ZACQAIPSSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362842 1265715946 /nfs/dbraw/zinc/71/59/46/1265715946.db2.gz MNTBNEKDKJVJJQ-APWZRJJASA-N 2 1 360.502 0.674 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004365625 1253301770 /nfs/dbraw/zinc/30/17/70/1253301770.db2.gz HKTDDRGPKKRYAM-VQHPVUNQSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001005408279 1253547071 /nfs/dbraw/zinc/54/70/71/1253547071.db2.gz WKFITYVOTCBTNR-BPQIPLTHSA-N 2 1 363.506 0.507 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916715 1253847911 /nfs/dbraw/zinc/84/79/11/1253847911.db2.gz MSKIRKGJBALFMY-IJEWVQPXSA-N 2 1 363.462 0.142 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916715 1253847925 /nfs/dbraw/zinc/84/79/25/1253847925.db2.gz MSKIRKGJBALFMY-IJEWVQPXSA-N 2 1 363.462 0.142 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001329508571 1265771389 /nfs/dbraw/zinc/77/13/89/1265771389.db2.gz JFYAJGGRLNALHB-KDURUIRLSA-N 2 1 370.497 0.992 20 0 FCADMP CCc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1C ZINC001029741243 1253866833 /nfs/dbraw/zinc/86/68/33/1253866833.db2.gz MXYJQRFCXJKSKO-BZUAXINKSA-N 2 1 362.522 0.998 20 0 FCADMP CCc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1C ZINC001029741243 1253866853 /nfs/dbraw/zinc/86/68/53/1253866853.db2.gz MXYJQRFCXJKSKO-BZUAXINKSA-N 2 1 362.522 0.998 20 0 FCADMP CCc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1C ZINC001029741243 1253866869 /nfs/dbraw/zinc/86/68/69/1253866869.db2.gz MXYJQRFCXJKSKO-BZUAXINKSA-N 2 1 362.522 0.998 20 0 FCADMP CCc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1C ZINC001029741243 1253866877 /nfs/dbraw/zinc/86/68/77/1253866877.db2.gz MXYJQRFCXJKSKO-BZUAXINKSA-N 2 1 362.522 0.998 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001519903496 1265798745 /nfs/dbraw/zinc/79/87/45/1265798745.db2.gz ZJCCKSOKKRTUEB-CRAIPNDOSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+][C@H]3CCNC3=O)cc2)O1 ZINC001034821034 1254007716 /nfs/dbraw/zinc/00/77/16/1254007716.db2.gz OLLSRTKHFYPGCB-XOKHGSTOSA-N 2 1 360.458 0.000 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+][C@H]3CCNC3=O)cc2)O1 ZINC001034821034 1254007727 /nfs/dbraw/zinc/00/77/27/1254007727.db2.gz OLLSRTKHFYPGCB-XOKHGSTOSA-N 2 1 360.458 0.000 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+][C@@H]3CCN(C)C3=O)cc2)CC[N@H+]1C ZINC001034818365 1254008242 /nfs/dbraw/zinc/00/82/42/1254008242.db2.gz GBBUGVPETXLWFU-ZTFGCOKTSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C4CC4)C3)CC2)CC[N@@H+]1C ZINC001035710046 1254058909 /nfs/dbraw/zinc/05/89/09/1254058909.db2.gz HFHRAFMFOSZUBM-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CC(=O)N(C)C4CC4)C3)CC2)CC[N@H+]1C ZINC001035710046 1254058914 /nfs/dbraw/zinc/05/89/14/1254058914.db2.gz HFHRAFMFOSZUBM-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](CCn4cccn4)C3)CC2)O1 ZINC001035733733 1254061498 /nfs/dbraw/zinc/06/14/98/1254061498.db2.gz YDLKRDNIRFSCPH-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](CCn4cccn4)C3)CC2)O1 ZINC001035733733 1254061508 /nfs/dbraw/zinc/06/15/08/1254061508.db2.gz YDLKRDNIRFSCPH-IAGOWNOFSA-N 2 1 361.490 0.527 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)nc(C)[nH+]1 ZINC001043755906 1254072954 /nfs/dbraw/zinc/07/29/54/1254072954.db2.gz ISYNGHUCAWTQPV-OKZBNKHCSA-N 2 1 371.485 0.851 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)CC)CC[N@H+]1C ZINC001061622008 1254194330 /nfs/dbraw/zinc/19/43/30/1254194330.db2.gz KGWGVIIJXUHFTE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[N@H+](C)CC)CC[NH+]1C ZINC001061622008 1254194334 /nfs/dbraw/zinc/19/43/34/1254194334.db2.gz KGWGVIIJXUHFTE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC[N@@H+](C)CC)CC[NH+]1C ZINC001061622008 1254194340 /nfs/dbraw/zinc/19/43/40/1254194340.db2.gz KGWGVIIJXUHFTE-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001061737052 1254217021 /nfs/dbraw/zinc/21/70/21/1254217021.db2.gz FDOVCQJBPJPLTE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031433 1265831358 /nfs/dbraw/zinc/83/13/58/1265831358.db2.gz PJEOXESATSALSQ-SJLPKXTDSA-N 2 1 350.507 0.336 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001062262835 1254253014 /nfs/dbraw/zinc/25/30/14/1254253014.db2.gz LLVVBOINKSEFFT-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001062262835 1254253022 /nfs/dbraw/zinc/25/30/22/1254253022.db2.gz LLVVBOINKSEFFT-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCc3cncn3C)CCC2)CC[N@H+]1C ZINC001063221874 1254316994 /nfs/dbraw/zinc/31/69/94/1254316994.db2.gz NBHKEXBFSYNXAH-GDBMZVCRSA-N 2 1 361.490 0.848 20 0 FCADMP CCN1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223368 1254317096 /nfs/dbraw/zinc/31/70/96/1254317096.db2.gz GIIBAXHDEIPXJO-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063223368 1254317098 /nfs/dbraw/zinc/31/70/98/1254317098.db2.gz GIIBAXHDEIPXJO-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063223368 1254317103 /nfs/dbraw/zinc/31/71/03/1254317103.db2.gz GIIBAXHDEIPXJO-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223368 1254317109 /nfs/dbraw/zinc/31/71/09/1254317109.db2.gz GIIBAXHDEIPXJO-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223368 1254317115 /nfs/dbraw/zinc/31/71/15/1254317115.db2.gz GIIBAXHDEIPXJO-OAGGEKHMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001065213033 1254496027 /nfs/dbraw/zinc/49/60/27/1254496027.db2.gz ZWUUPWCBVNDOAL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001077618935 1254786772 /nfs/dbraw/zinc/78/67/72/1254786772.db2.gz WCOPRYCRKLUEMS-QRVBRYPASA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)cc1 ZINC001077680718 1254865527 /nfs/dbraw/zinc/86/55/27/1254865527.db2.gz UGSHMYVDDSCYPT-RTBURBONSA-N 2 1 371.485 0.462 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)cc1 ZINC001077680718 1254865537 /nfs/dbraw/zinc/86/55/37/1254865537.db2.gz UGSHMYVDDSCYPT-RTBURBONSA-N 2 1 371.485 0.462 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680365 1254867081 /nfs/dbraw/zinc/86/70/81/1254867081.db2.gz CDHMFFLOEKLYGB-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680365 1254867090 /nfs/dbraw/zinc/86/70/90/1254867090.db2.gz CDHMFFLOEKLYGB-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680365 1254867096 /nfs/dbraw/zinc/86/70/96/1254867096.db2.gz CDHMFFLOEKLYGB-MDZRGWNJSA-N 2 1 371.497 0.787 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1 ZINC001077680367 1254867362 /nfs/dbraw/zinc/86/73/62/1254867362.db2.gz CDJFRUZAYHDSMD-KFKAGJAMSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC001077680367 1254867366 /nfs/dbraw/zinc/86/73/66/1254867366.db2.gz CDJFRUZAYHDSMD-KFKAGJAMSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001077680367 1254867375 /nfs/dbraw/zinc/86/73/75/1254867375.db2.gz CDJFRUZAYHDSMD-KFKAGJAMSA-N 2 1 361.486 0.741 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)c1 ZINC001077816886 1255018084 /nfs/dbraw/zinc/01/80/84/1255018084.db2.gz AYTRYXABRWVRNY-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2O)cn1 ZINC001077816988 1255018374 /nfs/dbraw/zinc/01/83/74/1255018374.db2.gz GRDZDTQYZYYOJB-QZTJIDSGSA-N 2 1 361.490 0.720 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001078018052 1255173326 /nfs/dbraw/zinc/17/33/26/1255173326.db2.gz LDKKLPPQKYNUHW-YXJHDRRASA-N 2 1 362.474 0.882 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001078018052 1255173330 /nfs/dbraw/zinc/17/33/30/1255173330.db2.gz LDKKLPPQKYNUHW-YXJHDRRASA-N 2 1 362.474 0.882 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001078018246 1255174557 /nfs/dbraw/zinc/17/45/57/1255174557.db2.gz UXCMNFLDCISPBR-YXJHDRRASA-N 2 1 362.474 0.739 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001078018246 1255174560 /nfs/dbraw/zinc/17/45/60/1255174560.db2.gz UXCMNFLDCISPBR-YXJHDRRASA-N 2 1 362.474 0.739 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078174539 1255287131 /nfs/dbraw/zinc/28/71/31/1255287131.db2.gz OREBACFFXITPFH-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078174539 1255287137 /nfs/dbraw/zinc/28/71/37/1255287137.db2.gz OREBACFFXITPFH-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078174539 1255287139 /nfs/dbraw/zinc/28/71/39/1255287139.db2.gz OREBACFFXITPFH-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078174539 1255287145 /nfs/dbraw/zinc/28/71/45/1255287145.db2.gz OREBACFFXITPFH-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174622 1255288122 /nfs/dbraw/zinc/28/81/22/1255288122.db2.gz QNALSHOTSIDRSV-BHIYHBOVSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174622 1255288124 /nfs/dbraw/zinc/28/81/24/1255288124.db2.gz QNALSHOTSIDRSV-BHIYHBOVSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174622 1255288126 /nfs/dbraw/zinc/28/81/26/1255288126.db2.gz QNALSHOTSIDRSV-BHIYHBOVSA-N 2 1 369.469 0.485 20 0 FCADMP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175808 1255290753 /nfs/dbraw/zinc/29/07/53/1255290753.db2.gz NRKLPDHDUMFTMG-BHIYHBOVSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175808 1255290764 /nfs/dbraw/zinc/29/07/64/1255290764.db2.gz NRKLPDHDUMFTMG-BHIYHBOVSA-N 2 1 361.486 0.795 20 0 FCADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078175808 1255290771 /nfs/dbraw/zinc/29/07/71/1255290771.db2.gz NRKLPDHDUMFTMG-BHIYHBOVSA-N 2 1 361.486 0.795 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001078404349 1255409324 /nfs/dbraw/zinc/40/93/24/1255409324.db2.gz YVXLXCUMYDABBY-OKZBNKHCSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001078417711 1255410346 /nfs/dbraw/zinc/41/03/46/1255410346.db2.gz FWHGDVCLTINOFD-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001078417711 1255410350 /nfs/dbraw/zinc/41/03/50/1255410350.db2.gz FWHGDVCLTINOFD-BPQIPLTHSA-N 2 1 369.506 0.339 20 0 FCADMP Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418590 1255410773 /nfs/dbraw/zinc/41/07/73/1255410773.db2.gz RVEFCCDOCCSQMZ-XOKHGSTOSA-N 2 1 366.462 0.409 20 0 FCADMP Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418590 1255410781 /nfs/dbraw/zinc/41/07/81/1255410781.db2.gz RVEFCCDOCCSQMZ-XOKHGSTOSA-N 2 1 366.462 0.409 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079242915 1255484510 /nfs/dbraw/zinc/48/45/10/1255484510.db2.gz AETALVPZNOVOOG-ZJPYXAASSA-N 2 1 365.518 0.912 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079256894 1255489989 /nfs/dbraw/zinc/48/99/89/1255489989.db2.gz LEUSMRSSQYXAHE-OKZBNKHCSA-N 2 1 365.518 0.793 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270334 1255495843 /nfs/dbraw/zinc/49/58/43/1255495843.db2.gz NAKVAUHZOWJJPS-OKZBNKHCSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079321920 1255506882 /nfs/dbraw/zinc/50/68/82/1255506882.db2.gz GIBNAGXFFHPMIP-CGTJXYLNSA-N 2 1 365.449 0.423 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079321920 1255506885 /nfs/dbraw/zinc/50/68/85/1255506885.db2.gz GIBNAGXFFHPMIP-CGTJXYLNSA-N 2 1 365.449 0.423 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707710 1255581922 /nfs/dbraw/zinc/58/19/22/1255581922.db2.gz RGZMNKCLKCPQKT-KBAYOESNSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717497 1255585589 /nfs/dbraw/zinc/58/55/89/1255585589.db2.gz LEOCQZOFFNEPIB-RHSMWYFYSA-N 2 1 371.489 0.793 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717497 1255585596 /nfs/dbraw/zinc/58/55/96/1255585596.db2.gz LEOCQZOFFNEPIB-RHSMWYFYSA-N 2 1 371.489 0.793 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079940341 1255675172 /nfs/dbraw/zinc/67/51/72/1255675172.db2.gz HFBSQIWOCVSEHE-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079940341 1255675176 /nfs/dbraw/zinc/67/51/76/1255675176.db2.gz HFBSQIWOCVSEHE-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011811 1255707017 /nfs/dbraw/zinc/70/70/17/1255707017.db2.gz KFNYHCZWHSXSSU-HFBAOOFYSA-N 2 1 369.425 0.498 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011811 1255707023 /nfs/dbraw/zinc/70/70/23/1255707023.db2.gz KFNYHCZWHSXSSU-HFBAOOFYSA-N 2 1 369.425 0.498 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001080014356 1255708555 /nfs/dbraw/zinc/70/85/55/1255708555.db2.gz RVINZRPINVCMHT-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001080014356 1255708559 /nfs/dbraw/zinc/70/85/59/1255708559.db2.gz RVINZRPINVCMHT-NVXWUHKLSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080136338 1255755195 /nfs/dbraw/zinc/75/51/95/1255755195.db2.gz NDGDGWUKRFFHFR-FHLIZLRMSA-N 2 1 368.441 0.642 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161087 1255766297 /nfs/dbraw/zinc/76/62/97/1255766297.db2.gz LXJKORHWUFVUPJ-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161087 1255766300 /nfs/dbraw/zinc/76/63/00/1255766300.db2.gz LXJKORHWUFVUPJ-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161087 1255766303 /nfs/dbraw/zinc/76/63/03/1255766303.db2.gz LXJKORHWUFVUPJ-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001080161087 1255766307 /nfs/dbraw/zinc/76/63/07/1255766307.db2.gz LXJKORHWUFVUPJ-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164657 1255768605 /nfs/dbraw/zinc/76/86/05/1255768605.db2.gz LTYBNGZBAMZGQV-CQNSDRIQSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164657 1255768607 /nfs/dbraw/zinc/76/86/07/1255768607.db2.gz LTYBNGZBAMZGQV-CQNSDRIQSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164657 1255768614 /nfs/dbraw/zinc/76/86/14/1255768614.db2.gz LTYBNGZBAMZGQV-CQNSDRIQSA-N 2 1 356.470 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255447 1255808110 /nfs/dbraw/zinc/80/81/10/1255808110.db2.gz YEUIWRBUVIMGPX-IXDOHACOSA-N 2 1 363.506 0.555 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001081098184 1256176665 /nfs/dbraw/zinc/17/66/65/1256176665.db2.gz YZINEBALCRLKSU-IPMKNSEASA-N 2 1 370.497 0.897 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081098149 1256177024 /nfs/dbraw/zinc/17/70/24/1256177024.db2.gz XGRVZZCFRBASCV-GVDBMIGSSA-N 2 1 369.473 0.389 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081098149 1256177028 /nfs/dbraw/zinc/17/70/28/1256177028.db2.gz XGRVZZCFRBASCV-GVDBMIGSSA-N 2 1 369.473 0.389 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081228834 1256212251 /nfs/dbraw/zinc/21/22/51/1256212251.db2.gz CJRFUPLTTWGOGG-OKZBNKHCSA-N 2 1 367.453 0.664 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081658997 1256322806 /nfs/dbraw/zinc/32/28/06/1256322806.db2.gz IGKKYMWYGXCKQR-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081658997 1256322817 /nfs/dbraw/zinc/32/28/17/1256322817.db2.gz IGKKYMWYGXCKQR-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081658997 1256322825 /nfs/dbraw/zinc/32/28/25/1256322825.db2.gz IGKKYMWYGXCKQR-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081658997 1256322833 /nfs/dbraw/zinc/32/28/33/1256322833.db2.gz IGKKYMWYGXCKQR-KZNAEPCWSA-N 2 1 363.506 0.651 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001081884481 1256430442 /nfs/dbraw/zinc/43/04/42/1256430442.db2.gz AFZOFYZWNBDVHM-IXDOHACOSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001081884481 1256430447 /nfs/dbraw/zinc/43/04/47/1256430447.db2.gz AFZOFYZWNBDVHM-IXDOHACOSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001081884481 1256430451 /nfs/dbraw/zinc/43/04/51/1256430451.db2.gz AFZOFYZWNBDVHM-IXDOHACOSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001081884481 1256430453 /nfs/dbraw/zinc/43/04/53/1256430453.db2.gz AFZOFYZWNBDVHM-IXDOHACOSA-N 2 1 364.494 0.214 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082325853 1256666227 /nfs/dbraw/zinc/66/62/27/1256666227.db2.gz DFVZXFYKTGTOEU-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082325853 1256666233 /nfs/dbraw/zinc/66/62/33/1256666233.db2.gz DFVZXFYKTGTOEU-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082325853 1256666240 /nfs/dbraw/zinc/66/62/40/1256666240.db2.gz DFVZXFYKTGTOEU-USXIJHARSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326673 1256667758 /nfs/dbraw/zinc/66/77/58/1256667758.db2.gz NDGXARMOIYAGKQ-GVDBMIGSSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326673 1256667761 /nfs/dbraw/zinc/66/77/61/1256667761.db2.gz NDGXARMOIYAGKQ-GVDBMIGSSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326673 1256667765 /nfs/dbraw/zinc/66/77/65/1256667765.db2.gz NDGXARMOIYAGKQ-GVDBMIGSSA-N 2 1 364.494 0.052 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326673 1256667769 /nfs/dbraw/zinc/66/77/69/1256667769.db2.gz NDGXARMOIYAGKQ-GVDBMIGSSA-N 2 1 364.494 0.052 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082448487 1256765809 /nfs/dbraw/zinc/76/58/09/1256765809.db2.gz SAYOYZRCTLQSTN-BPLDGKMQSA-N 2 1 358.446 0.053 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001082458667 1256770846 /nfs/dbraw/zinc/77/08/46/1256770846.db2.gz ZSNGPOPSRWDEEH-OIISXLGYSA-N 2 1 361.490 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001082458667 1256770849 /nfs/dbraw/zinc/77/08/49/1256770849.db2.gz ZSNGPOPSRWDEEH-OIISXLGYSA-N 2 1 361.490 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082521276 1256804664 /nfs/dbraw/zinc/80/46/64/1256804664.db2.gz YLCFFGMUEDUERW-DTTOXWODSA-N 2 1 360.506 0.965 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082521276 1256804674 /nfs/dbraw/zinc/80/46/74/1256804674.db2.gz YLCFFGMUEDUERW-DTTOXWODSA-N 2 1 360.506 0.965 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082557439 1256855505 /nfs/dbraw/zinc/85/55/05/1256855505.db2.gz DYQACFJMMNNIPM-VNHYZAJKSA-N 2 1 361.494 0.990 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082558463 1256857380 /nfs/dbraw/zinc/85/73/80/1256857380.db2.gz RTGAOXMOIZJZPC-DJIMGWMZSA-N 2 1 359.478 0.184 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082612651 1256923400 /nfs/dbraw/zinc/92/34/00/1256923400.db2.gz ZAOZLLUTMBLJTG-BRWVUGGUSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082653553 1256958585 /nfs/dbraw/zinc/95/85/85/1256958585.db2.gz QNUOIGIPIRWSBH-PWRQTXRISA-N 2 1 359.474 0.220 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1)[NH+](C)C ZINC001082724334 1257011265 /nfs/dbraw/zinc/01/12/65/1257011265.db2.gz ZEDHFIHENWSAMS-IIAWOOMASA-N 2 1 365.526 0.951 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741249 1257021571 /nfs/dbraw/zinc/02/15/71/1257021571.db2.gz UOWBVUPCDMBBKL-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741249 1257021580 /nfs/dbraw/zinc/02/15/80/1257021580.db2.gz UOWBVUPCDMBBKL-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082742383 1257022826 /nfs/dbraw/zinc/02/28/26/1257022826.db2.gz CZAQKWRXOZCWSJ-HDMKZQKVSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082742383 1257022834 /nfs/dbraw/zinc/02/28/34/1257022834.db2.gz CZAQKWRXOZCWSJ-HDMKZQKVSA-N 2 1 360.506 0.966 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)no1 ZINC001082797930 1257057698 /nfs/dbraw/zinc/05/76/98/1257057698.db2.gz YKHPTYVMALMYSE-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)C1=O ZINC001082807525 1257065759 /nfs/dbraw/zinc/06/57/59/1257065759.db2.gz NEMLOPSZVHXWMD-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082827055 1257084257 /nfs/dbraw/zinc/08/42/57/1257084257.db2.gz ZJWIWLYYKDLWTE-KBRIMQKVSA-N 2 1 368.441 0.548 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)c1nncn1C ZINC001082828910 1257085623 /nfs/dbraw/zinc/08/56/23/1257085623.db2.gz QUPWDQQITHIAEW-IIAWOOMASA-N 2 1 364.494 0.423 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082861998 1257113872 /nfs/dbraw/zinc/11/38/72/1257113872.db2.gz VDIDDNAHOPPAIS-MGPQQGTHSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082861998 1257113874 /nfs/dbraw/zinc/11/38/74/1257113874.db2.gz VDIDDNAHOPPAIS-MGPQQGTHSA-N 2 1 370.448 0.822 20 0 FCADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001082920794 1257145691 /nfs/dbraw/zinc/14/56/91/1257145691.db2.gz FBOUYIFUZBSJSJ-ZTFGCOKTSA-N 2 1 358.486 0.934 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082920834 1257145708 /nfs/dbraw/zinc/14/57/08/1257145708.db2.gz HVAVCDSSSWIYKN-OWCLPIDISA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082920834 1257145710 /nfs/dbraw/zinc/14/57/10/1257145710.db2.gz HVAVCDSSSWIYKN-OWCLPIDISA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082942456 1257160603 /nfs/dbraw/zinc/16/06/03/1257160603.db2.gz CKIUECNDRARJRG-CZUORRHYSA-N 2 1 357.462 0.522 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082943323 1257160661 /nfs/dbraw/zinc/16/06/61/1257160661.db2.gz DOLUEKWFOCFTFU-OAGGEKHMSA-N 2 1 364.490 0.446 20 0 FCADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083082435 1257281976 /nfs/dbraw/zinc/28/19/76/1257281976.db2.gz XPYHQVZLXCNIPL-YTQUADARSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083082435 1257281981 /nfs/dbraw/zinc/28/19/81/1257281981.db2.gz XPYHQVZLXCNIPL-YTQUADARSA-N 2 1 365.518 0.935 20 0 FCADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001083082435 1257281983 /nfs/dbraw/zinc/28/19/83/1257281983.db2.gz XPYHQVZLXCNIPL-YTQUADARSA-N 2 1 365.518 0.935 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(F)(F)C4)C[C@@H]32)O1 ZINC001083119399 1257352837 /nfs/dbraw/zinc/35/28/37/1257352837.db2.gz QLUFRZOBDAHDHQ-SLBVQIDZSA-N 2 1 373.444 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(F)(F)C4)C[C@@H]32)O1 ZINC001083119399 1257352843 /nfs/dbraw/zinc/35/28/43/1257352843.db2.gz QLUFRZOBDAHDHQ-SLBVQIDZSA-N 2 1 373.444 0.662 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(F)(F)C4)C[C@@H]32)O1 ZINC001083119399 1257352851 /nfs/dbraw/zinc/35/28/51/1257352851.db2.gz QLUFRZOBDAHDHQ-SLBVQIDZSA-N 2 1 373.444 0.662 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@H]32)O1 ZINC001083119399 1257352860 /nfs/dbraw/zinc/35/28/60/1257352860.db2.gz QLUFRZOBDAHDHQ-SLBVQIDZSA-N 2 1 373.444 0.662 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)cn1 ZINC001083183108 1257444870 /nfs/dbraw/zinc/44/48/70/1257444870.db2.gz NNZKAYPGCCIKNJ-ZWKOTPCHSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001521343015 1266115261 /nfs/dbraw/zinc/11/52/61/1266115261.db2.gz UXHLWVYOCNVZMR-SJLPKXTDSA-N 2 1 366.554 0.042 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777572 1257517260 /nfs/dbraw/zinc/51/72/60/1257517260.db2.gz CDHMFFLOEKLYGB-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777572 1257517263 /nfs/dbraw/zinc/51/72/63/1257517263.db2.gz CDHMFFLOEKLYGB-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777572 1257517270 /nfs/dbraw/zinc/51/72/70/1257517270.db2.gz CDHMFFLOEKLYGB-GJYPPUQNSA-N 2 1 371.497 0.787 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831340 1257585088 /nfs/dbraw/zinc/58/50/88/1257585088.db2.gz HPAHUVPIAPXWQI-NXHRZFHOSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831340 1257585095 /nfs/dbraw/zinc/58/50/95/1257585095.db2.gz HPAHUVPIAPXWQI-NXHRZFHOSA-N 2 1 363.506 0.388 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955046 1257744307 /nfs/dbraw/zinc/74/43/07/1257744307.db2.gz USPLPPQASFMVMJ-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955046 1257744309 /nfs/dbraw/zinc/74/43/09/1257744309.db2.gz USPLPPQASFMVMJ-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955046 1257744311 /nfs/dbraw/zinc/74/43/11/1257744311.db2.gz USPLPPQASFMVMJ-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955046 1257744313 /nfs/dbraw/zinc/74/43/13/1257744313.db2.gz USPLPPQASFMVMJ-KSZLIROESA-N 2 1 361.486 0.877 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)cn1 ZINC001084090890 1257914506 /nfs/dbraw/zinc/91/45/06/1257914506.db2.gz NGSHKRRDWAUFRM-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)cn1 ZINC001084090890 1257914512 /nfs/dbraw/zinc/91/45/12/1257914512.db2.gz NGSHKRRDWAUFRM-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC001331120356 1266151860 /nfs/dbraw/zinc/15/18/60/1266151860.db2.gz TTXIJNZTMGNODM-FZMZJTMJSA-N 2 1 359.405 0.884 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001084349601 1258043552 /nfs/dbraw/zinc/04/35/52/1258043552.db2.gz SMEBWBMQYUYJDG-CEXWTWQISA-N 2 1 370.497 0.760 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)n1 ZINC001084410136 1258089206 /nfs/dbraw/zinc/08/92/06/1258089206.db2.gz ZVFISTWMFFYKCZ-SJLPKXTDSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)n1 ZINC001084410136 1258089214 /nfs/dbraw/zinc/08/92/14/1258089214.db2.gz ZVFISTWMFFYKCZ-SJLPKXTDSA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)n1 ZINC001084410136 1258089224 /nfs/dbraw/zinc/08/92/24/1258089224.db2.gz ZVFISTWMFFYKCZ-SJLPKXTDSA-N 2 1 360.506 0.912 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001084608888 1258195991 /nfs/dbraw/zinc/19/59/91/1258195991.db2.gz OKOZMXZYCMURKW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001084608888 1258195992 /nfs/dbraw/zinc/19/59/92/1258195992.db2.gz OKOZMXZYCMURKW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001084608888 1258195994 /nfs/dbraw/zinc/19/59/94/1258195994.db2.gz OKOZMXZYCMURKW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001084608888 1258195996 /nfs/dbraw/zinc/19/59/96/1258195996.db2.gz OKOZMXZYCMURKW-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084638526 1258212329 /nfs/dbraw/zinc/21/23/29/1258212329.db2.gz GTMHSUDRAGHSBH-IIDMSEBBSA-N 2 1 364.490 0.254 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084638526 1258212333 /nfs/dbraw/zinc/21/23/33/1258212333.db2.gz GTMHSUDRAGHSBH-IIDMSEBBSA-N 2 1 364.490 0.254 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662280 1258225962 /nfs/dbraw/zinc/22/59/62/1258225962.db2.gz DAXZSZPUCDBIAQ-ZTFGCOKTSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662280 1258225963 /nfs/dbraw/zinc/22/59/63/1258225963.db2.gz DAXZSZPUCDBIAQ-ZTFGCOKTSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662280 1258225970 /nfs/dbraw/zinc/22/59/70/1258225970.db2.gz DAXZSZPUCDBIAQ-ZTFGCOKTSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084778281 1258320307 /nfs/dbraw/zinc/32/03/07/1258320307.db2.gz OKPLFVIUQACGGY-IAGOWNOFSA-N 2 1 358.490 0.523 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084777901 1258321063 /nfs/dbraw/zinc/32/10/63/1258321063.db2.gz VQRRQYMLYHHTHA-IAGOWNOFSA-N 2 1 360.502 0.627 20 0 FCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910954 1258434283 /nfs/dbraw/zinc/43/42/83/1258434283.db2.gz JOWZKLVSOBHBBY-NJAFHUGGSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910954 1258434288 /nfs/dbraw/zinc/43/42/88/1258434288.db2.gz JOWZKLVSOBHBBY-NJAFHUGGSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910954 1258434295 /nfs/dbraw/zinc/43/42/95/1258434295.db2.gz JOWZKLVSOBHBBY-NJAFHUGGSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1nccc1CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910954 1258434300 /nfs/dbraw/zinc/43/43/00/1258434300.db2.gz JOWZKLVSOBHBBY-NJAFHUGGSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)CC[N@H+]1C ZINC001084943623 1258456014 /nfs/dbraw/zinc/45/60/14/1258456014.db2.gz ONQPNMPWJPMFPV-AHCXZYCDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)[C@H]3C2)CC[NH+]1C ZINC001084943623 1258456019 /nfs/dbraw/zinc/45/60/19/1258456019.db2.gz ONQPNMPWJPMFPV-AHCXZYCDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)CC[NH+]1C ZINC001084943623 1258456022 /nfs/dbraw/zinc/45/60/22/1258456022.db2.gz ONQPNMPWJPMFPV-AHCXZYCDSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032397 1258534958 /nfs/dbraw/zinc/53/49/58/1258534958.db2.gz FBHNAIICVFPQCE-BBWFWOEESA-N 2 1 363.506 0.419 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032397 1258534963 /nfs/dbraw/zinc/53/49/63/1258534963.db2.gz FBHNAIICVFPQCE-BBWFWOEESA-N 2 1 363.506 0.419 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032397 1258534967 /nfs/dbraw/zinc/53/49/67/1258534967.db2.gz FBHNAIICVFPQCE-BBWFWOEESA-N 2 1 363.506 0.419 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075201 1258569626 /nfs/dbraw/zinc/56/96/26/1258569626.db2.gz VDKOUWBANKBQHP-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075201 1258569629 /nfs/dbraw/zinc/56/96/29/1258569629.db2.gz VDKOUWBANKBQHP-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075201 1258569633 /nfs/dbraw/zinc/56/96/33/1258569633.db2.gz VDKOUWBANKBQHP-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)ccn1 ZINC001085159519 1258613212 /nfs/dbraw/zinc/61/32/12/1258613212.db2.gz XTXKRKIVGIBOKZ-BRWVUGGUSA-N 2 1 362.474 0.938 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)ccn1 ZINC001085159519 1258613216 /nfs/dbraw/zinc/61/32/16/1258613216.db2.gz XTXKRKIVGIBOKZ-BRWVUGGUSA-N 2 1 362.474 0.938 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnnn1C ZINC001087166115 1258635592 /nfs/dbraw/zinc/63/55/92/1258635592.db2.gz ZPFHLMAQWFWLDQ-PMPSAXMXSA-N 2 1 363.510 0.800 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087166115 1258635597 /nfs/dbraw/zinc/63/55/97/1258635597.db2.gz ZPFHLMAQWFWLDQ-PMPSAXMXSA-N 2 1 363.510 0.800 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087166115 1258635605 /nfs/dbraw/zinc/63/56/05/1258635605.db2.gz ZPFHLMAQWFWLDQ-PMPSAXMXSA-N 2 1 363.510 0.800 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172184 1258692731 /nfs/dbraw/zinc/69/27/31/1258692731.db2.gz ZCBYMXHZAWUXJL-IXDOHACOSA-N 2 1 360.502 0.483 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199832 1258720887 /nfs/dbraw/zinc/72/08/87/1258720887.db2.gz DTULGIFQTFYFKV-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199832 1258720896 /nfs/dbraw/zinc/72/08/96/1258720896.db2.gz DTULGIFQTFYFKV-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCCC4)CC[C@@H]3C2)C1 ZINC001088199832 1258720901 /nfs/dbraw/zinc/72/09/01/1258720901.db2.gz DTULGIFQTFYFKV-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200031 1258722479 /nfs/dbraw/zinc/72/24/79/1258722479.db2.gz MQRPCTDOGSDINA-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088200031 1258722482 /nfs/dbraw/zinc/72/24/82/1258722482.db2.gz MQRPCTDOGSDINA-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200031 1258722486 /nfs/dbraw/zinc/72/24/86/1258722486.db2.gz MQRPCTDOGSDINA-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088200031 1258722490 /nfs/dbraw/zinc/72/24/90/1258722490.db2.gz MQRPCTDOGSDINA-ZACQAIPSSA-N 2 1 360.506 0.838 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088202369 1258723101 /nfs/dbraw/zinc/72/31/01/1258723101.db2.gz XLHAIVUZDVROOC-IKGGRYGDSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088202369 1258723106 /nfs/dbraw/zinc/72/31/06/1258723106.db2.gz XLHAIVUZDVROOC-IKGGRYGDSA-N 2 1 369.473 0.751 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001088201687 1258724015 /nfs/dbraw/zinc/72/40/15/1258724015.db2.gz PKDHPVLZZMVSBH-FGTMMUONSA-N 2 1 361.490 0.120 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001088234336 1258747397 /nfs/dbraw/zinc/74/73/97/1258747397.db2.gz OVTLVCZTHGDPOU-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001088234336 1258747403 /nfs/dbraw/zinc/74/74/03/1258747403.db2.gz OVTLVCZTHGDPOU-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001088234336 1258747406 /nfs/dbraw/zinc/74/74/06/1258747406.db2.gz OVTLVCZTHGDPOU-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001088234336 1258747412 /nfs/dbraw/zinc/74/74/12/1258747412.db2.gz OVTLVCZTHGDPOU-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001088234335 1258748536 /nfs/dbraw/zinc/74/85/36/1258748536.db2.gz OVTLVCZTHGDPOU-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH+](CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001088234335 1258748540 /nfs/dbraw/zinc/74/85/40/1258748540.db2.gz OVTLVCZTHGDPOU-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[N@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001088234335 1258748547 /nfs/dbraw/zinc/74/85/47/1258748547.db2.gz OVTLVCZTHGDPOU-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO[C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC[NH+]1C ZINC001088234335 1258748548 /nfs/dbraw/zinc/74/85/48/1258748548.db2.gz OVTLVCZTHGDPOU-DJIMGWMZSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088749075 1258756877 /nfs/dbraw/zinc/75/68/77/1258756877.db2.gz NCMBHLHAPMOAIB-JLSDUUJJSA-N 2 1 368.441 0.785 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721222 1258817209 /nfs/dbraw/zinc/81/72/09/1258817209.db2.gz IBJNUQBCJBXVLV-IAGOWNOFSA-N 2 1 360.506 0.838 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331433016 1266216145 /nfs/dbraw/zinc/21/61/45/1266216145.db2.gz YGHHSUYIDCIQQC-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001100343903 1258908816 /nfs/dbraw/zinc/90/88/16/1258908816.db2.gz YUVCIBWABCYTBI-XSCHDIRWSA-N 2 1 363.462 0.746 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637439 1258920511 /nfs/dbraw/zinc/92/05/11/1258920511.db2.gz PQQIUYAQJZKLTD-IZBJGVDFSA-N 2 1 367.534 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106665366 1258937116 /nfs/dbraw/zinc/93/71/16/1258937116.db2.gz UIJOFWLOHPSEJF-QLFBSQMISA-N 2 1 363.462 0.782 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665236 1258937314 /nfs/dbraw/zinc/93/73/14/1258937314.db2.gz NCEZYRQNOBMOOB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666460 1258937335 /nfs/dbraw/zinc/93/73/35/1258937335.db2.gz LJLYBWLNTCCSPJ-LZLYRXPVSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106673447 1258938926 /nfs/dbraw/zinc/93/89/26/1258938926.db2.gz ZDRWXYJOHNOUGU-KFWWJZLASA-N 2 1 366.506 0.454 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106765899 1258958307 /nfs/dbraw/zinc/95/83/07/1258958307.db2.gz YPBJITHMVBHJTK-NVXWUHKLSA-N 2 1 359.478 0.948 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001106811088 1258967398 /nfs/dbraw/zinc/96/73/98/1258967398.db2.gz OECJQXRUFLPBPX-HZSPNIEDSA-N 2 1 356.430 0.439 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106840319 1258974049 /nfs/dbraw/zinc/97/40/49/1258974049.db2.gz HTNRFISPAPLTFZ-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)no1 ZINC001107040519 1259023368 /nfs/dbraw/zinc/02/33/68/1259023368.db2.gz IDHMXHPTJPQHQG-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)no1 ZINC001107040519 1259023376 /nfs/dbraw/zinc/02/33/76/1259023376.db2.gz IDHMXHPTJPQHQG-HUUCEWRRSA-N 2 1 367.494 0.783 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCn2cncn2)CC3)C1 ZINC001107550190 1259114247 /nfs/dbraw/zinc/11/42/47/1259114247.db2.gz PGQKVJGQKRWWQA-ZHALLVOQSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)C1 ZINC001107550190 1259114249 /nfs/dbraw/zinc/11/42/49/1259114249.db2.gz PGQKVJGQKRWWQA-ZHALLVOQSA-N 2 1 360.506 0.981 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)C1 ZINC001107550190 1259114252 /nfs/dbraw/zinc/11/42/52/1259114252.db2.gz PGQKVJGQKRWWQA-ZHALLVOQSA-N 2 1 360.506 0.981 20 0 FCADMP Cc1nonc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609078 1259132561 /nfs/dbraw/zinc/13/25/61/1259132561.db2.gz BKCRRUCTJGYCCB-SJLPKXTDSA-N 2 1 365.478 0.817 20 0 FCADMP Cc1nonc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609078 1259132566 /nfs/dbraw/zinc/13/25/66/1259132566.db2.gz BKCRRUCTJGYCCB-SJLPKXTDSA-N 2 1 365.478 0.817 20 0 FCADMP Cc1c(-c2cc(C[NH2+]CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)on2)cnn1C ZINC001127639214 1259183196 /nfs/dbraw/zinc/18/31/96/1259183196.db2.gz VWAMJCXFCGLEIX-IUODEOHRSA-N 2 1 360.462 0.930 20 0 FCADMP COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001127643703 1259183296 /nfs/dbraw/zinc/18/32/96/1259183296.db2.gz HLYKHFDWPUCGIZ-RHSMWYFYSA-N 2 1 362.474 0.357 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccc(C)o2)CC[N@H+]1C ZINC001127705729 1259184255 /nfs/dbraw/zinc/18/42/55/1259184255.db2.gz DGLRJDQGQUZMJX-DLBZAZTESA-N 2 1 364.490 0.983 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989808 1259285369 /nfs/dbraw/zinc/28/53/69/1259285369.db2.gz VMVQAKDNKJZZLW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989808 1259285375 /nfs/dbraw/zinc/28/53/75/1259285375.db2.gz VMVQAKDNKJZZLW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989808 1259285380 /nfs/dbraw/zinc/28/53/80/1259285380.db2.gz VMVQAKDNKJZZLW-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1)OC ZINC001129049217 1259299472 /nfs/dbraw/zinc/29/94/72/1259299472.db2.gz SGCOGHTVAAGLCC-OAGGEKHMSA-N 2 1 364.494 0.529 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129228310 1259348714 /nfs/dbraw/zinc/34/87/14/1259348714.db2.gz NATDXCUDBOVWCY-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP COC(=O)C1CCN(c2ccc(NCC[NH+]3CCC([NH3+])CC3)nn2)CC1 ZINC001161867516 1259387270 /nfs/dbraw/zinc/38/72/70/1259387270.db2.gz IIESVSTVUULCKB-UHFFFAOYSA-N 2 1 362.478 0.701 20 0 FCADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180611095 1259395590 /nfs/dbraw/zinc/39/55/90/1259395590.db2.gz AUCJLZMGJNYPHV-MRXNPFEDSA-N 2 1 368.522 0.437 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCO1 ZINC001200729412 1259420281 /nfs/dbraw/zinc/42/02/81/1259420281.db2.gz NNQTZMGLCDHGAD-RBSFLKMASA-N 2 1 363.462 0.247 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212282338 1259452640 /nfs/dbraw/zinc/45/26/40/1259452640.db2.gz PQERLDVTZXQJQF-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212282338 1259452646 /nfs/dbraw/zinc/45/26/46/1259452646.db2.gz PQERLDVTZXQJQF-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212406226 1259492016 /nfs/dbraw/zinc/49/20/16/1259492016.db2.gz LXJWOHIPFOHOMO-JFIYKMOQSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403796 1259492479 /nfs/dbraw/zinc/49/24/79/1259492479.db2.gz VYKMGKPGCFLSKA-HZPDHXFCSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403796 1259492483 /nfs/dbraw/zinc/49/24/83/1259492483.db2.gz VYKMGKPGCFLSKA-HZPDHXFCSA-N 2 1 362.474 0.185 20 0 FCADMP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410013 1259493327 /nfs/dbraw/zinc/49/33/27/1259493327.db2.gz LYTSZPHXXAWEGZ-BFYDXBDKSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410013 1259493332 /nfs/dbraw/zinc/49/33/32/1259493332.db2.gz LYTSZPHXXAWEGZ-BFYDXBDKSA-N 2 1 365.478 0.466 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409314 1259493640 /nfs/dbraw/zinc/49/36/40/1259493640.db2.gz CGPYXTYOMKIHFH-QRVBRYPASA-N 2 1 361.486 0.835 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409314 1259493642 /nfs/dbraw/zinc/49/36/42/1259493642.db2.gz CGPYXTYOMKIHFH-QRVBRYPASA-N 2 1 361.486 0.835 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437046 1259505323 /nfs/dbraw/zinc/50/53/23/1259505323.db2.gz XITVUGCRRSHXET-KURKYZTESA-N 2 1 365.522 0.902 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437046 1259505329 /nfs/dbraw/zinc/50/53/29/1259505329.db2.gz XITVUGCRRSHXET-KURKYZTESA-N 2 1 365.522 0.902 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)C2 ZINC001215544194 1259535466 /nfs/dbraw/zinc/53/54/66/1259535466.db2.gz KKHKDDRCBKLRSB-UKPHBRMFSA-N 2 1 361.490 0.715 20 0 FCADMP CN1CCN(C(=O)C2CC[NH+](Cc3ccc4c(n3)OCCO4)CC2)CC1 ZINC001233877382 1259553913 /nfs/dbraw/zinc/55/39/13/1259553913.db2.gz RGKUIQZTWKIEGY-UHFFFAOYSA-N 2 1 360.458 0.839 20 0 FCADMP CCOC(=O)COc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1OC ZINC001234990174 1259565468 /nfs/dbraw/zinc/56/54/68/1259565468.db2.gz RIIUAFSWCDDOFA-IBGZPJMESA-N 2 1 363.458 0.774 20 0 FCADMP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCCO[C@]3(CNCCOC3)C2)c1 ZINC001235198204 1259569480 /nfs/dbraw/zinc/56/94/80/1259569480.db2.gz CQRGOBNYYZTDTG-OAQYLSRUSA-N 2 1 374.529 0.673 20 0 FCADMP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCCO[C@]3(CNCCOC3)C2)c1 ZINC001235198204 1259569485 /nfs/dbraw/zinc/56/94/85/1259569485.db2.gz CQRGOBNYYZTDTG-OAQYLSRUSA-N 2 1 374.529 0.673 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3cccnc3)C2)O1 ZINC001235516730 1259573482 /nfs/dbraw/zinc/57/34/82/1259573482.db2.gz LYCKQPIIPGDEID-SQGPQFPESA-N 2 1 374.485 0.903 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3cccnc3)C2)O1 ZINC001235516730 1259573488 /nfs/dbraw/zinc/57/34/88/1259573488.db2.gz LYCKQPIIPGDEID-SQGPQFPESA-N 2 1 374.485 0.903 20 0 FCADMP [NH3+]CCCC[N@H+]1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001235594076 1259577953 /nfs/dbraw/zinc/57/79/53/1259577953.db2.gz POVFBLAXFYEAEP-UHFFFAOYSA-N 2 1 359.430 0.711 20 0 FCADMP CN1CCN(c2ccccc2CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235872004 1259584096 /nfs/dbraw/zinc/58/40/96/1259584096.db2.gz XPAHXOXMJFBXRT-UHFFFAOYSA-N 2 1 360.550 0.023 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3ccc(OC4CC[NH2+]CC4)nn3)cn2)CC1 ZINC001235916835 1259585505 /nfs/dbraw/zinc/58/55/05/1259585505.db2.gz UBUPPWNFKTUQAN-UHFFFAOYSA-N 2 1 355.446 0.816 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cnc(OC)c(OC)c3)C[C@H]1C2 ZINC001236023439 1259585924 /nfs/dbraw/zinc/58/59/24/1259585924.db2.gz QCKGNICIGMXKGP-GJRWTSMGSA-N 2 1 361.442 0.929 20 0 FCADMP COC(=O)c1cc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1C ZINC001236027975 1259587676 /nfs/dbraw/zinc/58/76/76/1259587676.db2.gz QFRIDBCYQFPIGA-GJRWTSMGSA-N 2 1 361.442 0.642 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001335383894 1259636319 /nfs/dbraw/zinc/63/63/19/1259636319.db2.gz JASUVYXHAVVROS-UHFFFAOYSA-N 2 1 351.495 0.546 20 0 FCADMP O[C@]1(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981014 1259642000 /nfs/dbraw/zinc/64/20/00/1259642000.db2.gz PKFZBNLENLLTBG-PZJWPPBQSA-N 3 1 358.530 0.802 20 0 FCADMP O[C@]1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981014 1259642008 /nfs/dbraw/zinc/64/20/08/1259642008.db2.gz PKFZBNLENLLTBG-PZJWPPBQSA-N 4 1 358.530 0.802 20 0 FCADMP O[C@]1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001245981014 1259642015 /nfs/dbraw/zinc/64/20/15/1259642015.db2.gz PKFZBNLENLLTBG-PZJWPPBQSA-N 4 1 358.530 0.802 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246031656 1259645741 /nfs/dbraw/zinc/64/57/41/1259645741.db2.gz DKICRSJABFJLIH-OXJNMPFZSA-N 3 1 365.518 0.746 20 0 FCADMP CCS(=O)(=O)NCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335400586 1259646495 /nfs/dbraw/zinc/64/64/95/1259646495.db2.gz RBPNOYLKHSGLBJ-KRWDZBQOSA-N 2 1 355.504 0.542 20 0 FCADMP CCS(=O)(=O)NCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335400586 1259646507 /nfs/dbraw/zinc/64/65/07/1259646507.db2.gz RBPNOYLKHSGLBJ-KRWDZBQOSA-N 2 1 355.504 0.542 20 0 FCADMP COC(=O)[C@@H](N)[C@H]1CCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052915 1259646558 /nfs/dbraw/zinc/64/65/58/1259646558.db2.gz MKMSRHNVUWFSBC-SJWGOKEGSA-N 2 1 371.428 0.408 20 0 FCADMP COC(=O)[C@@H](N)[C@H]1CCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052915 1259646567 /nfs/dbraw/zinc/64/65/67/1259646567.db2.gz MKMSRHNVUWFSBC-SJWGOKEGSA-N 2 1 371.428 0.408 20 0 FCADMP COC(=O)[C@@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246234255 1259651354 /nfs/dbraw/zinc/65/13/54/1259651354.db2.gz UWHRZGWEPCUFDV-FXAWDEMLSA-N 2 1 358.486 0.488 20 0 FCADMP COc1cccc(C(=O)N2CCC(N3CC[NH2+]C[C@@]34CC[NH2+]C4)CC2)c1 ZINC001246622412 1259656077 /nfs/dbraw/zinc/65/60/77/1259656077.db2.gz HLKMUFNCYGZZTF-FQEVSTJZSA-N 2 1 358.486 0.937 20 0 FCADMP COc1ccc(CN2CC[C@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641961 1259657063 /nfs/dbraw/zinc/65/70/63/1259657063.db2.gz KHYAIRSWNSINAK-PXNSSMCTSA-N 2 1 358.486 0.824 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679933 1259658992 /nfs/dbraw/zinc/65/89/92/1259658992.db2.gz RDKCEXWIVPOJMB-SJLPKXTDSA-N 3 1 364.534 0.820 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679933 1259659002 /nfs/dbraw/zinc/65/90/02/1259659002.db2.gz RDKCEXWIVPOJMB-SJLPKXTDSA-N 3 1 364.534 0.820 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700406 1259661596 /nfs/dbraw/zinc/66/15/96/1259661596.db2.gz IZQSIKQLINQRLD-SQDXWYPISA-N 2 1 359.474 0.826 20 0 FCADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246700406 1259661605 /nfs/dbraw/zinc/66/16/05/1259661605.db2.gz IZQSIKQLINQRLD-SQDXWYPISA-N 2 1 359.474 0.826 20 0 FCADMP O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246701281 1259663864 /nfs/dbraw/zinc/66/38/64/1259663864.db2.gz LQFMBHCMICSROB-BURFUSLBSA-N 2 1 374.485 0.469 20 0 FCADMP Cc1cccc(COC[C@]23COC[C@H]2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)n1 ZINC001246727504 1259671119 /nfs/dbraw/zinc/67/11/19/1259671119.db2.gz HSQLYORLUKBTFO-HOJAQTOUSA-N 2 1 372.513 0.949 20 0 FCADMP c1cnn(C[C@H]2CC[C@]3(COCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)O2)c1 ZINC001246726767 1259671549 /nfs/dbraw/zinc/67/15/49/1259671549.db2.gz TZFZNDSWBGJADR-SCTDSRPQSA-N 2 1 361.490 0.227 20 0 FCADMP O=C1CO[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2N1c1cccc(F)c1 ZINC001246746900 1259677395 /nfs/dbraw/zinc/67/73/95/1259677395.db2.gz PORTWPWWESCOTH-GVDBMIGSSA-N 2 1 360.433 0.336 20 0 FCADMP O=C(NC[C@H]1OC[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21)c1cnccn1 ZINC001246771699 1259686981 /nfs/dbraw/zinc/68/69/81/1259686981.db2.gz YNPVHIRLNDCXGN-WWXPTJGASA-N 2 1 371.485 0.826 20 0 FCADMP O=C1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246822770 1259690679 /nfs/dbraw/zinc/69/06/79/1259690679.db2.gz SPRKIQOMIIRDBI-FQEVSTJZSA-N 2 1 373.545 0.652 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CO1 ZINC001246859485 1259693092 /nfs/dbraw/zinc/69/30/92/1259693092.db2.gz PEAZRFJVZDIBPP-OMDXXEBNSA-N 2 1 366.458 0.428 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246857979 1259693615 /nfs/dbraw/zinc/69/36/15/1259693615.db2.gz KDRFXIAMHYUFCC-MSWPAXRKSA-N 2 1 365.474 0.001 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246918900 1259696190 /nfs/dbraw/zinc/69/61/90/1259696190.db2.gz YLVLZCZLNYBNLC-UONOGXRCSA-N 2 1 362.478 0.416 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246918900 1259696196 /nfs/dbraw/zinc/69/61/96/1259696196.db2.gz YLVLZCZLNYBNLC-UONOGXRCSA-N 2 1 362.478 0.416 20 0 FCADMP c1cc(-c2noc([C@@]34C[NH2+]C[C@@H]3CCN4)n2)ccc1C[NH+]1CCOCC1 ZINC001247838121 1259706639 /nfs/dbraw/zinc/70/66/39/1259706639.db2.gz SEOKFRIZCXITRV-QFBILLFUSA-N 2 1 355.442 0.977 20 0 FCADMP CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001252022258 1259774431 /nfs/dbraw/zinc/77/44/31/1259774431.db2.gz CSCCUHHIIUJNGK-XWSJACJDSA-N 2 1 363.506 0.850 20 0 FCADMP CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001252022258 1259774434 /nfs/dbraw/zinc/77/44/34/1259774434.db2.gz CSCCUHHIIUJNGK-XWSJACJDSA-N 2 1 363.506 0.850 20 0 FCADMP CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001252022258 1259774438 /nfs/dbraw/zinc/77/44/38/1259774438.db2.gz CSCCUHHIIUJNGK-XWSJACJDSA-N 2 1 363.506 0.850 20 0 FCADMP CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001252022258 1259774441 /nfs/dbraw/zinc/77/44/41/1259774441.db2.gz CSCCUHHIIUJNGK-XWSJACJDSA-N 2 1 363.506 0.850 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001253389978 1259838504 /nfs/dbraw/zinc/83/85/04/1259838504.db2.gz GWHGOBDZZXQYDD-TVFCKZIOSA-N 2 1 367.534 0.846 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001253388100 1259838821 /nfs/dbraw/zinc/83/88/21/1259838821.db2.gz BSZUPGBPIAFOKL-TVFCKZIOSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001254012827 1259868586 /nfs/dbraw/zinc/86/85/86/1259868586.db2.gz LFECUUWRUIAHCO-KRWDZBQOSA-N 2 1 370.490 0.480 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](C3CC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001256205525 1259938120 /nfs/dbraw/zinc/93/81/20/1259938120.db2.gz UZJWEDMGFJXGKX-VQIMIIECSA-N 2 1 358.490 0.588 20 0 FCADMP CNC(=O)[C@]12C[N@H+](C3CC[NH+](C)CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001256205525 1259938122 /nfs/dbraw/zinc/93/81/22/1259938122.db2.gz UZJWEDMGFJXGKX-VQIMIIECSA-N 2 1 358.490 0.588 20 0 FCADMP CNC(=O)CN1CCO[C@H]2C[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@H]21 ZINC001256858761 1259976488 /nfs/dbraw/zinc/97/64/88/1259976488.db2.gz BOYNIDVHTMPIQJ-MSOLQXFVSA-N 2 1 359.474 0.181 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001522012410 1266299466 /nfs/dbraw/zinc/29/94/66/1266299466.db2.gz ZBIBTZUFLMMHCR-WMZOPIPTSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001522012410 1266299474 /nfs/dbraw/zinc/29/94/74/1266299474.db2.gz ZBIBTZUFLMMHCR-WMZOPIPTSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001257215928 1260002437 /nfs/dbraw/zinc/00/24/37/1260002437.db2.gz ILAPZBYXOXVXQO-APWZRJJASA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001257215928 1260002446 /nfs/dbraw/zinc/00/24/46/1260002446.db2.gz ILAPZBYXOXVXQO-APWZRJJASA-N 2 1 353.507 0.912 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)CC2)CC1 ZINC001261495304 1260150062 /nfs/dbraw/zinc/15/00/62/1260150062.db2.gz ACJTYZNSTNPJNP-INIZCTEOSA-N 2 1 360.506 0.586 20 0 FCADMP CN(C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC001336847441 1260236710 /nfs/dbraw/zinc/23/67/10/1260236710.db2.gz DOAXFYOIQLAENU-ZDUSSCGKSA-N 2 1 371.279 0.619 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC001336847441 1260236713 /nfs/dbraw/zinc/23/67/13/1260236713.db2.gz DOAXFYOIQLAENU-ZDUSSCGKSA-N 2 1 371.279 0.619 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC001336847441 1260236717 /nfs/dbraw/zinc/23/67/17/1260236717.db2.gz DOAXFYOIQLAENU-ZDUSSCGKSA-N 2 1 371.279 0.619 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071240 1260255618 /nfs/dbraw/zinc/25/56/18/1260255618.db2.gz UTVUDXOFAQTPLU-DDBAPUKQSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC001336978859 1260273584 /nfs/dbraw/zinc/27/35/84/1260273584.db2.gz XKYAQZKRSBLUPQ-JYJNAYRXSA-N 2 1 359.536 0.861 20 0 FCADMP O=C(NCc1cnn(CCF)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336988825 1260276994 /nfs/dbraw/zinc/27/69/94/1260276994.db2.gz BEJAPNWDPVGQFD-CALCHBBNSA-N 2 1 364.469 0.963 20 0 FCADMP c1cc(N2CCN(c3nnnn3CCC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC001262212364 1260278223 /nfs/dbraw/zinc/27/82/23/1260278223.db2.gz LBTGQXWQUBHQJD-UHFFFAOYSA-N 2 1 358.450 0.117 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001262213866 1260278612 /nfs/dbraw/zinc/27/86/12/1260278612.db2.gz BCPFQMKFWIJHKI-MRXNPFEDSA-N 2 1 365.526 0.952 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001262213866 1260278622 /nfs/dbraw/zinc/27/86/22/1260278622.db2.gz BCPFQMKFWIJHKI-MRXNPFEDSA-N 2 1 365.526 0.952 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024554 1260288808 /nfs/dbraw/zinc/28/88/08/1260288808.db2.gz UFRLTRMTSLRWTC-STQMWFEESA-N 2 1 351.417 0.606 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051379 1260295946 /nfs/dbraw/zinc/29/59/46/1260295946.db2.gz CANZZVHYNXUMAJ-SYNHAJSKSA-N 2 1 374.485 0.950 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337051379 1260295953 /nfs/dbraw/zinc/29/59/53/1260295953.db2.gz CANZZVHYNXUMAJ-SYNHAJSKSA-N 2 1 374.485 0.950 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001263103234 1260340959 /nfs/dbraw/zinc/34/09/59/1260340959.db2.gz SVUKZCIEJQRLBO-FQEVSTJZSA-N 2 1 373.545 0.604 20 0 FCADMP C[C@@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC001263102721 1260342072 /nfs/dbraw/zinc/34/20/72/1260342072.db2.gz CBZOFHBFGNMESP-FXAWDEMLSA-N 2 1 360.502 0.818 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001264001792 1260362602 /nfs/dbraw/zinc/36/26/02/1260362602.db2.gz ICHRQHBIXGLOIC-CABCVRRESA-N 2 1 365.526 0.905 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001264001792 1260362610 /nfs/dbraw/zinc/36/26/10/1260362610.db2.gz ICHRQHBIXGLOIC-CABCVRRESA-N 2 1 365.526 0.905 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001264647880 1260390296 /nfs/dbraw/zinc/39/02/96/1260390296.db2.gz WRKFFAMBGDVREU-SJORKVTESA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650326 1260443402 /nfs/dbraw/zinc/44/34/02/1260443402.db2.gz FEJNYIVBPVOIRI-APWZRJJASA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271650328 1260443889 /nfs/dbraw/zinc/44/38/89/1260443889.db2.gz FEJNYIVBPVOIRI-LPHOPBHVSA-N 2 1 366.506 0.110 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001338011677 1260536427 /nfs/dbraw/zinc/53/64/27/1260536427.db2.gz OLLDZJSVNJGOCH-LMMKCTJWSA-N 2 1 365.522 0.367 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCCC3)C[C@@H]21 ZINC001273141770 1260606547 /nfs/dbraw/zinc/60/65/47/1260606547.db2.gz SWVKENURBNLUGQ-FHWLQOOXSA-N 2 1 364.534 0.867 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)C1 ZINC001278183985 1260686853 /nfs/dbraw/zinc/68/68/53/1260686853.db2.gz UWGHWHNNKNLLBI-UXHICEINSA-N 2 1 366.550 0.973 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCCC4)CC3)[C@H]2C1 ZINC001278451852 1260693310 /nfs/dbraw/zinc/69/33/10/1260693310.db2.gz MXPBVFDWXHQRSL-IRXDYDNUSA-N 2 1 362.518 0.777 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001278478886 1260698180 /nfs/dbraw/zinc/69/81/80/1260698180.db2.gz DEISBZJZRYHIDL-PXNSSMCTSA-N 2 1 362.518 0.873 20 0 FCADMP COc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)cnc1OC ZINC001279292512 1260825291 /nfs/dbraw/zinc/82/52/91/1260825291.db2.gz OGJCMIZFHJECHR-GJZGRUSLSA-N 2 1 360.458 0.741 20 0 FCADMP COc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)cnc1OC ZINC001279292512 1260825300 /nfs/dbraw/zinc/82/53/00/1260825300.db2.gz OGJCMIZFHJECHR-GJZGRUSLSA-N 2 1 360.458 0.741 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279354975 1260846590 /nfs/dbraw/zinc/84/65/90/1260846590.db2.gz JQMWBZLGGZHZSL-LJQANCHMSA-N 2 1 362.522 0.447 20 0 FCADMP C[NH+](C)CCN1CCN(C[C@@H]2CCC[N@@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501459 1260880658 /nfs/dbraw/zinc/88/06/58/1260880658.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 2 1 365.566 0.546 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501293 1260881004 /nfs/dbraw/zinc/88/10/04/1260881004.db2.gz DWNSKUKCJOOBMG-YESZJQIVSA-N 2 1 359.474 0.118 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501293 1260881010 /nfs/dbraw/zinc/88/10/10/1260881010.db2.gz DWNSKUKCJOOBMG-YESZJQIVSA-N 2 1 359.474 0.118 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501293 1260881018 /nfs/dbraw/zinc/88/10/18/1260881018.db2.gz DWNSKUKCJOOBMG-YESZJQIVSA-N 2 1 359.474 0.118 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501293 1260881025 /nfs/dbraw/zinc/88/10/25/1260881025.db2.gz DWNSKUKCJOOBMG-YESZJQIVSA-N 2 1 359.474 0.118 20 0 FCADMP O=C(C1=CNN2C=CNC=C12)N1C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001279614936 1260899255 /nfs/dbraw/zinc/89/92/55/1260899255.db2.gz ICAJJJBBRMDJIE-MAUKXSAKSA-N 2 1 356.474 0.139 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H](C1)O2 ZINC001279674999 1260913035 /nfs/dbraw/zinc/91/30/35/1260913035.db2.gz PNUXWOPWJCOYLK-CALCHBBNSA-N 2 1 357.462 0.313 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H](C1)O2 ZINC001279674999 1260913040 /nfs/dbraw/zinc/91/30/40/1260913040.db2.gz PNUXWOPWJCOYLK-CALCHBBNSA-N 2 1 357.462 0.313 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001332288696 1266371608 /nfs/dbraw/zinc/37/16/08/1266371608.db2.gz QCASBKZUYGEBRB-OKZBNKHCSA-N 2 1 358.486 0.521 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2COCCC23C[NH+](Cc2ccnnc2)C3)CC1 ZINC001279859612 1260945261 /nfs/dbraw/zinc/94/52/61/1260945261.db2.gz NIQGBEWGAQDYPH-QGZVFWFLSA-N 2 1 359.474 0.526 20 0 FCADMP COC(=O)CCC[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279883125 1260950442 /nfs/dbraw/zinc/95/04/42/1260950442.db2.gz BTUQIOWRHLWAKA-OIISXLGYSA-N 2 1 367.490 0.629 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280025616 1260980248 /nfs/dbraw/zinc/98/02/48/1260980248.db2.gz GBBQPGZFXPCDBO-SRABZTEZSA-N 2 1 367.490 0.485 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073295 1260990935 /nfs/dbraw/zinc/99/09/35/1260990935.db2.gz AKGHDNALLHPJNG-HXUWFJFHSA-N 2 1 365.566 0.500 20 0 FCADMP COCOCCC[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280090603 1260996946 /nfs/dbraw/zinc/99/69/46/1260996946.db2.gz WNSJGGHYFHKOFG-NJAFHUGGSA-N 2 1 369.506 0.687 20 0 FCADMP COCCC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)N(C)C)CC2)CC1 ZINC001280098716 1261002759 /nfs/dbraw/zinc/00/27/59/1261002759.db2.gz RZDYPXHIBQUBEM-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCn2ccnn2)CC1 ZINC001280124924 1261010559 /nfs/dbraw/zinc/01/05/59/1261010559.db2.gz ALYQWXPIMYSLJQ-BCDXTJNWSA-N 2 1 360.506 0.694 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]12 ZINC001280139251 1261014308 /nfs/dbraw/zinc/01/43/08/1261014308.db2.gz FPJPGSLUZZDSRZ-IXDOHACOSA-N 2 1 366.506 0.900 20 0 FCADMP CC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280160429 1261017538 /nfs/dbraw/zinc/01/75/38/1261017538.db2.gz LJDRMOFZLMEOLZ-DJIMGWMZSA-N 2 1 359.474 0.373 20 0 FCADMP CC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001280160429 1261017541 /nfs/dbraw/zinc/01/75/41/1261017541.db2.gz LJDRMOFZLMEOLZ-DJIMGWMZSA-N 2 1 359.474 0.373 20 0 FCADMP CC(=O)NCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280169966 1261019650 /nfs/dbraw/zinc/01/96/50/1261019650.db2.gz OALUYELIYHMUBI-AZUAARDMSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2[nH]nc3c2C[N@H+](CC2(C)COC2)CC3)CC1 ZINC001280180264 1261022525 /nfs/dbraw/zinc/02/25/25/1261022525.db2.gz HBUBUDFLEDFJJP-UHFFFAOYSA-N 2 1 361.490 0.971 20 0 FCADMP C[NH+](C)C1CCN(C(=O)c2[nH]nc3c2C[N@@H+](CC2(C)COC2)CC3)CC1 ZINC001280180264 1261022529 /nfs/dbraw/zinc/02/25/29/1261022529.db2.gz HBUBUDFLEDFJJP-UHFFFAOYSA-N 2 1 361.490 0.971 20 0 FCADMP Cc1nc[nH]c1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280342250 1261059654 /nfs/dbraw/zinc/05/96/54/1261059654.db2.gz VKNWVJGBICWNAK-RDTXWAMCSA-N 2 1 357.462 0.937 20 0 FCADMP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001281613730 1261124647 /nfs/dbraw/zinc/12/46/47/1261124647.db2.gz RXHGVWYZRAQFGP-BZUAXINKSA-N 2 1 361.490 0.821 20 0 FCADMP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001281613730 1261124650 /nfs/dbraw/zinc/12/46/50/1261124650.db2.gz RXHGVWYZRAQFGP-BZUAXINKSA-N 2 1 361.490 0.821 20 0 FCADMP O=C(NC[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1)[C@H]1CCC[NH2+]1 ZINC001332432346 1266403045 /nfs/dbraw/zinc/40/30/45/1266403045.db2.gz VDGRDTYCYKSXHE-SOUVJXGZSA-N 2 1 374.489 0.207 20 0 FCADMP [NH3+]CCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001580302694 1278109908 /nfs/dbraw/zinc/10/99/08/1278109908.db2.gz NHRIBYCEJJHWTH-HZPDHXFCSA-N 2 1 364.494 0.637 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001289512974 1262233059 /nfs/dbraw/zinc/23/30/59/1262233059.db2.gz VLLCILKAZUUOGV-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580343199 1278139201 /nfs/dbraw/zinc/13/92/01/1278139201.db2.gz CIIFIJGHXMYIDR-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001580343324 1278140419 /nfs/dbraw/zinc/14/04/19/1278140419.db2.gz JUEZPQIZOFUSCF-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580343324 1278140424 /nfs/dbraw/zinc/14/04/24/1278140424.db2.gz JUEZPQIZOFUSCF-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580343324 1278140428 /nfs/dbraw/zinc/14/04/28/1278140428.db2.gz JUEZPQIZOFUSCF-KBRIMQKVSA-N 2 1 369.473 0.755 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580353951 1278156444 /nfs/dbraw/zinc/15/64/44/1278156444.db2.gz COAHYMQLZIQUSY-RGCMKSIDSA-N 2 1 370.461 0.543 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580353951 1278156456 /nfs/dbraw/zinc/15/64/56/1278156456.db2.gz COAHYMQLZIQUSY-RGCMKSIDSA-N 2 1 370.461 0.543 20 0 FCADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304849594 1263152130 /nfs/dbraw/zinc/15/21/30/1263152130.db2.gz DSRNCRMCTGGAPP-HOCLYGCPSA-N 2 1 363.510 0.279 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 ZINC001307917342 1263202744 /nfs/dbraw/zinc/20/27/44/1263202744.db2.gz HZJAYJUDOKCRAO-KXBFYZLASA-N 2 1 367.490 0.441 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 ZINC001307917342 1263202754 /nfs/dbraw/zinc/20/27/54/1263202754.db2.gz HZJAYJUDOKCRAO-KXBFYZLASA-N 2 1 367.490 0.441 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001479672069 1263333311 /nfs/dbraw/zinc/33/33/11/1263333311.db2.gz KFHSJSYBTRMVNZ-SJORKVTESA-N 2 1 361.490 0.888 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001479672069 1263333322 /nfs/dbraw/zinc/33/33/22/1263333322.db2.gz KFHSJSYBTRMVNZ-SJORKVTESA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC001317818816 1263524065 /nfs/dbraw/zinc/52/40/65/1263524065.db2.gz IXTCWCUMTBHOGI-IEBWSBKVSA-N 2 1 359.518 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001580387954 1278208521 /nfs/dbraw/zinc/20/85/21/1278208521.db2.gz IYXLJCVSDBOFGO-UKRRQHHQSA-N 2 1 369.473 0.945 20 0 FCADMP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001496785964 1263898345 /nfs/dbraw/zinc/89/83/45/1263898345.db2.gz NPDDXFUCFFOURP-FGTMMUONSA-N 2 1 360.502 0.986 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001496785964 1263898355 /nfs/dbraw/zinc/89/83/55/1263898355.db2.gz NPDDXFUCFFOURP-FGTMMUONSA-N 2 1 360.502 0.986 20 0 FCADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496785964 1263898364 /nfs/dbraw/zinc/89/83/64/1263898364.db2.gz NPDDXFUCFFOURP-FGTMMUONSA-N 2 1 360.502 0.986 20 0 FCADMP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496785964 1263898379 /nfs/dbraw/zinc/89/83/79/1263898379.db2.gz NPDDXFUCFFOURP-FGTMMUONSA-N 2 1 360.502 0.986 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC001321410969 1263955771 /nfs/dbraw/zinc/95/57/71/1263955771.db2.gz WKVMKNYOODSPLE-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001321526631 1263982984 /nfs/dbraw/zinc/98/29/84/1263982984.db2.gz ZZRWQEXGXVQVEJ-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001321526631 1263982987 /nfs/dbraw/zinc/98/29/87/1263982987.db2.gz ZZRWQEXGXVQVEJ-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001321526631 1263982991 /nfs/dbraw/zinc/98/29/91/1263982991.db2.gz ZZRWQEXGXVQVEJ-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP CCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001499060194 1264001713 /nfs/dbraw/zinc/00/17/13/1264001713.db2.gz ISYQUQLAYOSRPV-QFBILLFUSA-N 2 1 362.522 0.972 20 0 FCADMP CCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001499099585 1264003744 /nfs/dbraw/zinc/00/37/44/1264003744.db2.gz FFORTOYATTYTRK-SFHVURJKSA-N 2 1 350.511 0.828 20 0 FCADMP CCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001499099585 1264003751 /nfs/dbraw/zinc/00/37/51/1264003751.db2.gz FFORTOYATTYTRK-SFHVURJKSA-N 2 1 350.511 0.828 20 0 FCADMP CCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001499099585 1264003764 /nfs/dbraw/zinc/00/37/64/1264003764.db2.gz FFORTOYATTYTRK-SFHVURJKSA-N 2 1 350.511 0.828 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001322406860 1264190577 /nfs/dbraw/zinc/19/05/77/1264190577.db2.gz QCWUZWGZPZRLLM-SJORKVTESA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)c3cc(C[NH+](C)C)on3)CC2)CC[N@@H+]1C ZINC001506083535 1264290152 /nfs/dbraw/zinc/29/01/52/1264290152.db2.gz AYBGLQXCGSQDSY-TZMCWYRMSA-N 2 1 363.462 0.455 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)c3cc(C[NH+](C)C)on3)CC2)CC[N@H+]1C ZINC001506083535 1264290156 /nfs/dbraw/zinc/29/01/56/1264290156.db2.gz AYBGLQXCGSQDSY-TZMCWYRMSA-N 2 1 363.462 0.455 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[nH+]c1 ZINC001323010312 1264315614 /nfs/dbraw/zinc/31/56/14/1264315614.db2.gz AUCJVVHZJRBOOE-INIZCTEOSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC001323010312 1264315623 /nfs/dbraw/zinc/31/56/23/1264315623.db2.gz AUCJVVHZJRBOOE-INIZCTEOSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001323235599 1264373497 /nfs/dbraw/zinc/37/34/97/1264373497.db2.gz LCLHNSUQFCVNII-CQSZACIVSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)C2 ZINC001324209636 1264596298 /nfs/dbraw/zinc/59/62/98/1264596298.db2.gz WOMIDEVFDQASCH-MGNMYUMUSA-N 2 1 373.501 0.954 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)C2 ZINC001324209636 1264596302 /nfs/dbraw/zinc/59/63/02/1264596302.db2.gz WOMIDEVFDQASCH-MGNMYUMUSA-N 2 1 373.501 0.954 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)CC[N@H+]1C ZINC001512846801 1264691767 /nfs/dbraw/zinc/69/17/67/1264691767.db2.gz OLXOKNJISZFBDY-YYIAUSFCSA-N 2 1 362.518 0.728 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325424681 1264882379 /nfs/dbraw/zinc/88/23/79/1264882379.db2.gz VZIVGHULVYENPR-INIZCTEOSA-N 2 1 358.486 0.952 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070282 1264912464 /nfs/dbraw/zinc/91/24/64/1264912464.db2.gz SMIFHAQYSASICZ-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070282 1264912470 /nfs/dbraw/zinc/91/24/70/1264912470.db2.gz SMIFHAQYSASICZ-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1O)CC(C)(C)C ZINC001513070282 1264912481 /nfs/dbraw/zinc/91/24/81/1264912481.db2.gz SMIFHAQYSASICZ-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001580406312 1278240360 /nfs/dbraw/zinc/24/03/60/1278240360.db2.gz FVPFFXGSYPGAAM-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326278046 1265090834 /nfs/dbraw/zinc/09/08/34/1265090834.db2.gz QWEARUPGFVZVCN-UHFFFAOYSA-N 2 1 363.437 0.843 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC4(CC[NH2+]CC4)C3)CC[C@H]21 ZINC001326472047 1265118584 /nfs/dbraw/zinc/11/85/84/1265118584.db2.gz ICJFOHLQMDEHJW-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001332572772 1266432582 /nfs/dbraw/zinc/43/25/82/1266432582.db2.gz JHDQOVRXEPXASQ-KURKYZTESA-N 2 1 365.522 0.176 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC001333422275 1266598810 /nfs/dbraw/zinc/59/88/10/1266598810.db2.gz IGZPWWUBJCNYSJ-INIZCTEOSA-N 2 1 363.510 0.688 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001580417625 1278268956 /nfs/dbraw/zinc/26/89/56/1278268956.db2.gz FUXALLYCTMDKJH-OLZOCXBDSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001524176369 1266689617 /nfs/dbraw/zinc/68/96/17/1266689617.db2.gz MITKNJLEXFKKEG-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001528095400 1266943929 /nfs/dbraw/zinc/94/39/29/1266943929.db2.gz VWLIGWRKOBBSLT-AYOQOUSVSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001528095400 1266943941 /nfs/dbraw/zinc/94/39/41/1266943941.db2.gz VWLIGWRKOBBSLT-AYOQOUSVSA-N 2 1 358.486 0.258 20 0 FCADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001528095400 1266943947 /nfs/dbraw/zinc/94/39/47/1266943947.db2.gz VWLIGWRKOBBSLT-AYOQOUSVSA-N 2 1 358.486 0.258 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@H]3[N@H+]3CC[C@H](O)C3)n2)CC1 ZINC001548998174 1267785590 /nfs/dbraw/zinc/78/55/90/1267785590.db2.gz TUTIOHXSVILVPF-LZLYRXPVSA-N 2 1 373.501 0.551 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2cncn2C)C1 ZINC001549157887 1267834955 /nfs/dbraw/zinc/83/49/55/1267834955.db2.gz COYDTPYTOWGUKE-CPUCHLNUSA-N 2 1 362.478 0.771 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001549298699 1267894660 /nfs/dbraw/zinc/89/46/60/1267894660.db2.gz SPOCUBYMLDEKDD-IMJJTQAJSA-N 2 1 360.462 0.186 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC001549302474 1267899031 /nfs/dbraw/zinc/89/90/31/1267899031.db2.gz ZNDXEZMPYTXTQD-XHSDSOJGSA-N 2 1 374.489 0.576 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)[nH+]c1 ZINC001338336527 1267911621 /nfs/dbraw/zinc/91/16/21/1267911621.db2.gz BTWPPOUXZPCHIG-HNNXBMFYSA-N 2 1 359.474 0.909 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC001338348199 1267915191 /nfs/dbraw/zinc/91/51/91/1267915191.db2.gz XJUYPZIBQBIKCW-INIZCTEOSA-N 2 1 373.501 0.976 20 0 FCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549742116 1267984757 /nfs/dbraw/zinc/98/47/57/1267984757.db2.gz WWDAUYMXKIEZLB-GOEBONIOSA-N 2 1 363.462 0.030 20 0 FCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549742116 1267984766 /nfs/dbraw/zinc/98/47/66/1267984766.db2.gz WWDAUYMXKIEZLB-GOEBONIOSA-N 2 1 363.462 0.030 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC001549763465 1267996093 /nfs/dbraw/zinc/99/60/93/1267996093.db2.gz NGSPTCMKZSVVEM-NXHRZFHOSA-N 2 1 374.533 0.722 20 0 FCADMP C[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001549998538 1268038839 /nfs/dbraw/zinc/03/88/39/1268038839.db2.gz AASJISQJNHIOHJ-FPOVZHCZSA-N 2 1 372.513 0.472 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113306 1268075921 /nfs/dbraw/zinc/07/59/21/1268075921.db2.gz QVRDEXJDXXGSKH-OALUTQOASA-N 2 1 360.502 0.976 20 0 FCADMP C[C@@]12C[NH2+]C[C@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001550266122 1268100457 /nfs/dbraw/zinc/10/04/57/1268100457.db2.gz SJQNKLZNZIHTFW-RDJZCZTQSA-N 2 1 352.479 0.119 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001338997080 1268143086 /nfs/dbraw/zinc/14/30/86/1268143086.db2.gz BQIVBCFBUMNYBE-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP [NH3+][C@@H]1CC12CCC(NC(=O)NCC1([NH+]3CCOCC3)CCOCC1)CC2 ZINC001550731045 1268157506 /nfs/dbraw/zinc/15/75/06/1268157506.db2.gz JSSXROVMFUWWQI-UPTPFMHGSA-N 2 1 366.506 0.827 20 0 FCADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1CC[NH3+] ZINC001550730787 1268158100 /nfs/dbraw/zinc/15/81/00/1268158100.db2.gz JBCNBWVQYJPIHI-HOTGVXAUSA-N 2 1 354.495 0.494 20 0 FCADMP C[C@H]1C[NH2+]C[C@H]1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730746 1268158259 /nfs/dbraw/zinc/15/82/59/1268158259.db2.gz IGQBDQADEDRUQY-JKSUJKDBSA-N 2 1 354.495 0.413 20 0 FCADMP C[N@H+]1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]21 ZINC001550745789 1268160577 /nfs/dbraw/zinc/16/05/77/1268160577.db2.gz UKSMAAIMJOBTIL-RHQZKXFESA-N 2 1 358.486 0.839 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@H](O)C2)C1 ZINC001550749311 1268161961 /nfs/dbraw/zinc/16/19/61/1268161961.db2.gz BUKGEGQUUMJGCQ-ZWKOTPCHSA-N 2 1 362.474 0.172 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@H](O)C2)C1 ZINC001550749311 1268161969 /nfs/dbraw/zinc/16/19/69/1268161969.db2.gz BUKGEGQUUMJGCQ-ZWKOTPCHSA-N 2 1 362.474 0.172 20 0 FCADMP CC[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CCOC ZINC001551466427 1268256471 /nfs/dbraw/zinc/25/64/71/1268256471.db2.gz XYVXLNKVFJYYSR-IRXDYDNUSA-N 2 1 368.522 0.897 20 0 FCADMP CC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CCOC ZINC001551466426 1268256726 /nfs/dbraw/zinc/25/67/26/1268256726.db2.gz XYVXLNKVFJYYSR-IAGOWNOFSA-N 2 1 368.522 0.897 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc(CN3CCC(C(N)=O)CC3)n2C)CC1 ZINC001339530306 1268262387 /nfs/dbraw/zinc/26/23/87/1268262387.db2.gz NVYOGXWMGMRDBT-UHFFFAOYSA-N 2 1 363.510 0.433 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551496154 1268262558 /nfs/dbraw/zinc/26/25/58/1268262558.db2.gz RBLNJAOXMUEVEB-RCCFBDPRSA-N 2 1 371.485 0.559 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551516175 1268263102 /nfs/dbraw/zinc/26/31/02/1268263102.db2.gz FDTDLFJGCRAILA-WMZOPIPTSA-N 2 1 359.474 0.463 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)CC[C@H]21 ZINC001551556016 1268267704 /nfs/dbraw/zinc/26/77/04/1268267704.db2.gz QWRANLBMFDSEPN-KONPQCLYSA-N 2 1 363.506 0.369 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556248 1268268751 /nfs/dbraw/zinc/26/87/51/1268268751.db2.gz SCENOBRYIDRUGF-HOCLYGCPSA-N 2 1 351.495 0.369 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551558797 1268270122 /nfs/dbraw/zinc/27/01/22/1268270122.db2.gz ZZGHDCKRVWYHKF-NVXWUHKLSA-N 2 1 365.522 0.759 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551559871 1268270764 /nfs/dbraw/zinc/27/07/64/1268270764.db2.gz JTTDLLYBXBTDPJ-SNPRPXQTSA-N 2 1 363.428 0.464 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551561746 1268271878 /nfs/dbraw/zinc/27/18/78/1268271878.db2.gz KKDOPFIQFZYZKG-JFIYKMOQSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC001551586048 1268279625 /nfs/dbraw/zinc/27/96/25/1268279625.db2.gz BLVAQCINONFBPG-DPHWQOANSA-N 2 1 363.506 0.558 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551595543 1268282257 /nfs/dbraw/zinc/28/22/57/1268282257.db2.gz RGPJSKSUOSDBOB-BQFCYCMXSA-N 2 1 365.522 0.615 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)n1C ZINC001552120086 1268381500 /nfs/dbraw/zinc/38/15/00/1268381500.db2.gz GJGASHGYVXEJRB-RRFJBIMHSA-N 2 1 350.467 0.273 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)n1C ZINC001552120086 1268381511 /nfs/dbraw/zinc/38/15/11/1268381511.db2.gz GJGASHGYVXEJRB-RRFJBIMHSA-N 2 1 350.467 0.273 20 0 FCADMP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001552168005 1268401266 /nfs/dbraw/zinc/40/12/66/1268401266.db2.gz VTLXMZJSEBCJHP-QGZVFWFLSA-N 2 1 366.469 0.738 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552204016 1268409749 /nfs/dbraw/zinc/40/97/49/1268409749.db2.gz WHZJAAANPXYRKZ-FXAWDEMLSA-N 2 1 372.469 0.525 20 0 FCADMP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001552215764 1268412234 /nfs/dbraw/zinc/41/22/34/1268412234.db2.gz LUHZENYHFGGHRM-CVEARBPZSA-N 2 1 361.494 0.053 20 0 FCADMP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001552215764 1268412238 /nfs/dbraw/zinc/41/22/38/1268412238.db2.gz LUHZENYHFGGHRM-CVEARBPZSA-N 2 1 361.494 0.053 20 0 FCADMP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001552215771 1268412694 /nfs/dbraw/zinc/41/26/94/1268412694.db2.gz LUHZENYHFGGHRM-JKSUJKDBSA-N 2 1 361.494 0.053 20 0 FCADMP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001552215771 1268412697 /nfs/dbraw/zinc/41/26/97/1268412697.db2.gz LUHZENYHFGGHRM-JKSUJKDBSA-N 2 1 361.494 0.053 20 0 FCADMP [NH3+]CCc1cnc2c(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cnn2c1 ZINC001340138345 1268447328 /nfs/dbraw/zinc/44/73/28/1268447328.db2.gz FTPIBOBCGLOTCL-OAHLLOKOSA-N 2 1 358.446 0.167 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435284 1268462086 /nfs/dbraw/zinc/46/20/86/1268462086.db2.gz CXTVTEHMIDXUIX-ZBFHGGJFSA-N 2 1 361.494 0.019 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435284 1268462092 /nfs/dbraw/zinc/46/20/92/1268462092.db2.gz CXTVTEHMIDXUIX-ZBFHGGJFSA-N 2 1 361.494 0.019 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340321784 1268510822 /nfs/dbraw/zinc/51/08/22/1268510822.db2.gz CMLOYWNZOFILIQ-APWZRJJASA-N 2 1 369.506 0.757 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552706431 1268525512 /nfs/dbraw/zinc/52/55/12/1268525512.db2.gz UNGJDNHYMKPMRR-HLLBOEOZSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552706431 1268525522 /nfs/dbraw/zinc/52/55/22/1268525522.db2.gz UNGJDNHYMKPMRR-HLLBOEOZSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552706431 1268525529 /nfs/dbraw/zinc/52/55/29/1268525529.db2.gz UNGJDNHYMKPMRR-HLLBOEOZSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552706431 1268525540 /nfs/dbraw/zinc/52/55/40/1268525540.db2.gz UNGJDNHYMKPMRR-HLLBOEOZSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[NH+](C(C)(C)C)CC2)n1 ZINC001552706512 1268526013 /nfs/dbraw/zinc/52/60/13/1268526013.db2.gz JIOOITIXXOTQLS-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[NH+](C(C)(C)C)CC2)n1 ZINC001552706512 1268526022 /nfs/dbraw/zinc/52/60/22/1268526022.db2.gz JIOOITIXXOTQLS-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001552706512 1268526028 /nfs/dbraw/zinc/52/60/28/1268526028.db2.gz JIOOITIXXOTQLS-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001552706512 1268526036 /nfs/dbraw/zinc/52/60/36/1268526036.db2.gz JIOOITIXXOTQLS-INIZCTEOSA-N 2 1 363.506 0.933 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC001552710785 1268530320 /nfs/dbraw/zinc/53/03/20/1268530320.db2.gz QINWHHVJIIKNAJ-KRWDZBQOSA-N 2 1 363.506 0.791 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC001552710785 1268530326 /nfs/dbraw/zinc/53/03/26/1268530326.db2.gz QINWHHVJIIKNAJ-KRWDZBQOSA-N 2 1 363.506 0.791 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552848889 1268559572 /nfs/dbraw/zinc/55/95/72/1268559572.db2.gz OJTICCMYBVNTKM-KLHDSHLOSA-N 2 1 362.478 0.493 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996638 1268574404 /nfs/dbraw/zinc/57/44/04/1268574404.db2.gz JSHFJGCFYRCCNT-OREBXVKISA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996638 1268574412 /nfs/dbraw/zinc/57/44/12/1268574412.db2.gz JSHFJGCFYRCCNT-OREBXVKISA-N 2 1 368.522 0.486 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996638 1268574423 /nfs/dbraw/zinc/57/44/23/1268574423.db2.gz JSHFJGCFYRCCNT-OREBXVKISA-N 2 1 368.522 0.486 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000759 1268576865 /nfs/dbraw/zinc/57/68/65/1268576865.db2.gz FGGFFNVSPBKSGQ-FWCYYJLNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000759 1268576872 /nfs/dbraw/zinc/57/68/72/1268576872.db2.gz FGGFFNVSPBKSGQ-FWCYYJLNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@@H](O)C2 ZINC001553000759 1268576874 /nfs/dbraw/zinc/57/68/74/1268576874.db2.gz FGGFFNVSPBKSGQ-FWCYYJLNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@@H](O)C2 ZINC001553000759 1268576880 /nfs/dbraw/zinc/57/68/80/1268576880.db2.gz FGGFFNVSPBKSGQ-FWCYYJLNSA-N 2 1 368.522 0.484 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]45C[NH2+]C[C@H]4CCOC5)n3)cn2)CC1 ZINC001553321299 1268623630 /nfs/dbraw/zinc/62/36/30/1268623630.db2.gz VEVCORNKHLOMBQ-DNVCBOLYSA-N 2 1 370.457 0.761 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553371080 1268638586 /nfs/dbraw/zinc/63/85/86/1268638586.db2.gz WLIVGJVFPNMPGK-APWZRJJASA-N 2 1 351.491 0.764 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375488 1268639069 /nfs/dbraw/zinc/63/90/69/1268639069.db2.gz XBGAWUMVAQUGMC-YLJYHZDGSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375488 1268639075 /nfs/dbraw/zinc/63/90/75/1268639075.db2.gz XBGAWUMVAQUGMC-YLJYHZDGSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553375550 1268639456 /nfs/dbraw/zinc/63/94/56/1268639456.db2.gz RQBKXJZRFYJQDQ-LAUBAEHRSA-N 2 1 370.497 0.949 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NC3CCN(C(=O)c4ccco4)CC3)C[NH2+]C[C@H]2C1 ZINC001553378919 1268640289 /nfs/dbraw/zinc/64/02/89/1268640289.db2.gz OQOKLLQBBSGMIL-LIRRHRJNSA-N 2 1 360.458 0.542 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)C[NH2+]C[C@H]2C1 ZINC001553383558 1268640340 /nfs/dbraw/zinc/64/03/40/1268640340.db2.gz QMTBNVFYVXHHMP-KSSFIOAISA-N 2 1 364.877 0.727 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C[NH2+]C[C@H]2C1 ZINC001553392569 1268642921 /nfs/dbraw/zinc/64/29/21/1268642921.db2.gz XYTLIKYKVORFKZ-OXJNMPFZSA-N 2 1 372.469 0.639 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553401351 1268643971 /nfs/dbraw/zinc/64/39/71/1268643971.db2.gz DKLKJWDIWXZGJG-NQIIRXRSSA-N 2 1 370.497 0.902 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553401351 1268643974 /nfs/dbraw/zinc/64/39/74/1268643974.db2.gz DKLKJWDIWXZGJG-NQIIRXRSSA-N 2 1 370.497 0.902 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405046 1268645044 /nfs/dbraw/zinc/64/50/44/1268645044.db2.gz CVAPQVPJHCWVRT-CEXWTWQISA-N 2 1 358.486 0.570 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2)N1CC[NH+](C)CC1 ZINC001553415592 1268647145 /nfs/dbraw/zinc/64/71/45/1268647145.db2.gz AFGGPEYPINLVQF-IAGOWNOFSA-N 2 1 367.538 0.326 20 0 FCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553412970 1268647757 /nfs/dbraw/zinc/64/77/57/1268647757.db2.gz PBJOYUGTZLFYGN-FGTMMUONSA-N 2 1 372.469 0.922 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553431136 1268650431 /nfs/dbraw/zinc/65/04/31/1268650431.db2.gz CXMJOLZBQLKVGZ-RDTXWAMCSA-N 2 1 351.495 0.418 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449587 1268651301 /nfs/dbraw/zinc/65/13/01/1268651301.db2.gz GQSYJAHYZJJDMA-NVXWUHKLSA-N 2 1 365.522 0.304 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449587 1268651309 /nfs/dbraw/zinc/65/13/09/1268651309.db2.gz GQSYJAHYZJJDMA-NVXWUHKLSA-N 2 1 365.522 0.304 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553453361 1268652812 /nfs/dbraw/zinc/65/28/12/1268652812.db2.gz PNTDFWQZIMAUCD-GPMSIDNRSA-N 2 1 358.490 0.725 20 0 FCADMP O=C(NC[C@@H]1C[C@H]2COC[C@H]2O1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553529239 1268663780 /nfs/dbraw/zinc/66/37/80/1268663780.db2.gz JODMSZAIARBFAV-XEIOYGOASA-N 2 1 364.490 0.401 20 0 FCADMP O=C(NC[C@@H]1C[C@H]2COC[C@@H]2O1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553529238 1268664315 /nfs/dbraw/zinc/66/43/15/1268664315.db2.gz JODMSZAIARBFAV-JFMONLCZSA-N 2 1 364.490 0.401 20 0 FCADMP [NH3+]CCCSCCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001340865772 1268686522 /nfs/dbraw/zinc/68/65/22/1268686522.db2.gz BIGKORMMGUGLJB-MRXNPFEDSA-N 2 1 358.552 0.371 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001340875809 1268690732 /nfs/dbraw/zinc/69/07/32/1268690732.db2.gz SKJVMSDSCIUMNA-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP Cc1ccc(N2CCC(C(=O)N3NC(=O)CC34CC[NH2+]CC4)CC2)[nH+]c1 ZINC001341044966 1268759030 /nfs/dbraw/zinc/75/90/30/1268759030.db2.gz JDMJAHDOVJKENC-UHFFFAOYSA-N 2 1 357.458 0.992 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001341172499 1268831816 /nfs/dbraw/zinc/83/18/16/1268831816.db2.gz BVVIFAKVBZQZRO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001341172499 1268831827 /nfs/dbraw/zinc/83/18/27/1268831827.db2.gz BVVIFAKVBZQZRO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001341172499 1268831834 /nfs/dbraw/zinc/83/18/34/1268831834.db2.gz BVVIFAKVBZQZRO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001341172499 1268831846 /nfs/dbraw/zinc/83/18/46/1268831846.db2.gz BVVIFAKVBZQZRO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001341663935 1269139366 /nfs/dbraw/zinc/13/93/66/1269139366.db2.gz JLJFNZPISFSVGZ-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001341663935 1269139369 /nfs/dbraw/zinc/13/93/69/1269139369.db2.gz JLJFNZPISFSVGZ-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001341663935 1269139373 /nfs/dbraw/zinc/13/93/73/1269139373.db2.gz JLJFNZPISFSVGZ-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C1)CC2 ZINC001341731697 1269175819 /nfs/dbraw/zinc/17/58/19/1269175819.db2.gz BINIEHAYAYYBCV-NUJGCVRESA-N 2 1 373.501 0.861 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CCC3)CC[C@@H]2C1 ZINC001566047681 1269578292 /nfs/dbraw/zinc/57/82/92/1269578292.db2.gz LTBCEKPRHGNQJJ-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)CC[C@@H]2C1 ZINC001566047681 1269578295 /nfs/dbraw/zinc/57/82/95/1269578295.db2.gz LTBCEKPRHGNQJJ-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CCC3)CC[C@@H]2C1 ZINC001566047681 1269578299 /nfs/dbraw/zinc/57/82/99/1269578299.db2.gz LTBCEKPRHGNQJJ-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP CO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001342796959 1269613390 /nfs/dbraw/zinc/61/33/90/1269613390.db2.gz PNEPLDXTMFQMMD-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1OC ZINC001343103464 1269773471 /nfs/dbraw/zinc/77/34/71/1269773471.db2.gz UACAKFNRMGETTH-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OC ZINC001343103464 1269773482 /nfs/dbraw/zinc/77/34/82/1269773482.db2.gz UACAKFNRMGETTH-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC001343103464 1269773489 /nfs/dbraw/zinc/77/34/89/1269773489.db2.gz UACAKFNRMGETTH-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001343740743 1269996404 /nfs/dbraw/zinc/99/64/04/1269996404.db2.gz QPAYZBQXPKIJCO-VYDXJSESSA-N 2 1 370.538 0.238 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001572828455 1270208236 /nfs/dbraw/zinc/20/82/36/1270208236.db2.gz GIFZFVBNPTWAHV-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001572828455 1270208250 /nfs/dbraw/zinc/20/82/50/1270208250.db2.gz GIFZFVBNPTWAHV-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001572828455 1270208257 /nfs/dbraw/zinc/20/82/57/1270208257.db2.gz GIFZFVBNPTWAHV-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001344630767 1270212793 /nfs/dbraw/zinc/21/27/93/1270212793.db2.gz FVUDOZVZOKAXAZ-LJQANCHMSA-N 2 1 372.513 0.783 20 0 FCADMP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580617773 1278571728 /nfs/dbraw/zinc/57/17/28/1278571728.db2.gz KAFHGYPWZQLEAD-BZUAXINKSA-N 2 1 353.463 0.877 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573974717 1270968137 /nfs/dbraw/zinc/96/81/37/1270968137.db2.gz PLSSLHKQOHHOCL-HEHGZKQESA-N 2 1 370.461 0.637 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976432 1270970318 /nfs/dbraw/zinc/97/03/18/1270970318.db2.gz WGGSMILONBBAMW-CJNGLKHVSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[C@@H](C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001573976220 1270970789 /nfs/dbraw/zinc/97/07/89/1270970789.db2.gz GIQIBHNVMLYBQU-INIZCTEOSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573976838 1270970842 /nfs/dbraw/zinc/97/08/42/1270970842.db2.gz JHIFMCFDIWLLEG-XJKSGUPXSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574251523 1271119773 /nfs/dbraw/zinc/11/97/73/1271119773.db2.gz GVKFEVGLFCDHSX-CHWSQXEVSA-N 2 1 358.450 0.425 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001574251453 1271119896 /nfs/dbraw/zinc/11/98/96/1271119896.db2.gz DMWPGDISJIAXJU-HNNXBMFYSA-N 2 1 372.477 0.673 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574255375 1271125647 /nfs/dbraw/zinc/12/56/47/1271125647.db2.gz PQDNAUAEFGXACK-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255961 1271127859 /nfs/dbraw/zinc/12/78/59/1271127859.db2.gz VZZDOYFMZFKITF-KBPBESRZSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574261648 1271136350 /nfs/dbraw/zinc/13/63/50/1271136350.db2.gz KREMLUGTYBPRKG-DZGCQCFKSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574543186 1271327468 /nfs/dbraw/zinc/32/74/68/1271327468.db2.gz GXHKVFQRJLJMLV-CHWSQXEVSA-N 2 1 360.466 0.719 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599192 1271402255 /nfs/dbraw/zinc/40/22/55/1271402255.db2.gz ZTTVQITUMLLSOR-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574670782 1271471371 /nfs/dbraw/zinc/47/13/71/1271471371.db2.gz CJCITEYPRPARLR-RDBSUJKOSA-N 2 1 372.477 0.721 20 0 FCADMP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574803231 1271541038 /nfs/dbraw/zinc/54/10/38/1271541038.db2.gz BQZHCGCOHZHDLZ-RDBSUJKOSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574873312 1271625907 /nfs/dbraw/zinc/62/59/07/1271625907.db2.gz MVIXVWOKBKSGBU-CJNGLKHVSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877472 1271636791 /nfs/dbraw/zinc/63/67/91/1271636791.db2.gz SAZSHMPUTOILNI-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877472 1271636796 /nfs/dbraw/zinc/63/67/96/1271636796.db2.gz SAZSHMPUTOILNI-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877472 1271636804 /nfs/dbraw/zinc/63/68/04/1271636804.db2.gz SAZSHMPUTOILNI-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574877472 1271636809 /nfs/dbraw/zinc/63/68/09/1271636809.db2.gz SAZSHMPUTOILNI-NEPJUHHUSA-N 2 1 363.491 0.816 20 0 FCADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574896801 1271659002 /nfs/dbraw/zinc/65/90/02/1271659002.db2.gz INKRAXJBKQYZMT-QWHCGFSZSA-N 2 1 358.450 0.544 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCOCCC[NH3+])CC1 ZINC001575194503 1271778521 /nfs/dbraw/zinc/77/85/21/1271778521.db2.gz BGTCZLXWNDSKSJ-UHFFFAOYSA-N 2 1 358.483 0.411 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](C[C@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198942 1271783218 /nfs/dbraw/zinc/78/32/18/1271783218.db2.gz UEATZRIUUUKVJV-ROUUACIJSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](C[C@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198942 1271783224 /nfs/dbraw/zinc/78/32/24/1271783224.db2.gz UEATZRIUUUKVJV-ROUUACIJSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cn[nH]n3)C2)C1 ZINC001575276185 1271865220 /nfs/dbraw/zinc/86/52/20/1271865220.db2.gz PRSSCTRFOLZCNM-ZQIUZPCESA-N 2 1 352.458 0.797 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3c[nH]nn3)C2)C1 ZINC001575276185 1271865230 /nfs/dbraw/zinc/86/52/30/1271865230.db2.gz PRSSCTRFOLZCNM-ZQIUZPCESA-N 2 1 352.458 0.797 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCc3c[nH]nn3)C2)C1 ZINC001575276185 1271865242 /nfs/dbraw/zinc/86/52/42/1271865242.db2.gz PRSSCTRFOLZCNM-ZQIUZPCESA-N 2 1 352.458 0.797 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575367721 1272009478 /nfs/dbraw/zinc/00/94/78/1272009478.db2.gz QPIGEKZLBSMYSX-LSDHHAIUSA-N 2 1 364.494 0.430 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575367721 1272009484 /nfs/dbraw/zinc/00/94/84/1272009484.db2.gz QPIGEKZLBSMYSX-LSDHHAIUSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566660 1272202935 /nfs/dbraw/zinc/20/29/35/1272202935.db2.gz LEVLMSKUBYQHLT-HOTGVXAUSA-N 2 1 364.494 0.144 20 0 FCADMP CC(C)Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[NH3+] ZINC001575655069 1272266616 /nfs/dbraw/zinc/26/66/16/1272266616.db2.gz TWCRASZPRJIZEZ-HOTGVXAUSA-N 2 1 350.511 0.982 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001580676509 1278699150 /nfs/dbraw/zinc/69/91/50/1278699150.db2.gz VVGIIAZCTAGSHU-XYJFISCASA-N 2 1 354.495 0.291 20 0 FCADMP CC1([NH+]2CCOCC2)CCC([NH2+]CCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001575801821 1272452534 /nfs/dbraw/zinc/45/25/34/1272452534.db2.gz FDQAYGVJSLNIOC-UHFFFAOYSA-N 2 1 361.454 0.081 20 0 FCADMP C[C@H](C[NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001575995855 1272668102 /nfs/dbraw/zinc/66/81/02/1272668102.db2.gz GARNEADLQVGZFI-QLFBSQMISA-N 2 1 361.494 0.499 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@]3(C)C2)CC1 ZINC001576103748 1272888576 /nfs/dbraw/zinc/88/85/76/1272888576.db2.gz FILUATCSHVZOJR-APWZRJJASA-N 2 1 360.506 0.859 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@@]3(C)C2)CC1 ZINC001576103748 1272888585 /nfs/dbraw/zinc/88/85/85/1272888585.db2.gz FILUATCSHVZOJR-APWZRJJASA-N 2 1 360.506 0.859 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@]3(C)C2)CC1 ZINC001576103748 1272888592 /nfs/dbraw/zinc/88/85/92/1272888592.db2.gz FILUATCSHVZOJR-APWZRJJASA-N 2 1 360.506 0.859 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576114546 1272904368 /nfs/dbraw/zinc/90/43/68/1272904368.db2.gz JPMMUZBFWLSMHY-KBPBESRZSA-N 2 1 370.461 0.783 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485435 1273332954 /nfs/dbraw/zinc/33/29/54/1273332954.db2.gz LTDOOSQQYJMWCD-ZBFHGGJFSA-N 2 1 350.467 0.244 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485435 1273332957 /nfs/dbraw/zinc/33/29/57/1273332957.db2.gz LTDOOSQQYJMWCD-ZBFHGGJFSA-N 2 1 350.467 0.244 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498131 1273358176 /nfs/dbraw/zinc/35/81/76/1273358176.db2.gz JOJWDCRLBBXWEC-GDBMZVCRSA-N 2 1 357.462 0.897 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3cn[nH]n3)C2)C1 ZINC001576557686 1273436984 /nfs/dbraw/zinc/43/69/84/1273436984.db2.gz SRTJVGMIJOTPLW-JKSUJKDBSA-N 2 1 362.478 0.181 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@@H+](CCOC)CCc2c[nH]nn2)CC1)[NH+](C)C ZINC001576614869 1273483355 /nfs/dbraw/zinc/48/33/55/1273483355.db2.gz CNVCFCRLUDKZTM-QGZVFWFLSA-N 2 1 366.510 0.627 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@H+](CCOC)CCc2cn[nH]n2)CC1)[NH+](C)C ZINC001576614869 1273483359 /nfs/dbraw/zinc/48/33/59/1273483359.db2.gz CNVCFCRLUDKZTM-QGZVFWFLSA-N 2 1 366.510 0.627 20 0 FCADMP CC[C@H](C(=O)N1CCC([N@@H+](CCOC)CCc2cn[nH]n2)CC1)[NH+](C)C ZINC001576614869 1273483364 /nfs/dbraw/zinc/48/33/64/1273483364.db2.gz CNVCFCRLUDKZTM-QGZVFWFLSA-N 2 1 366.510 0.627 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)C2=O ZINC001576669022 1273537644 /nfs/dbraw/zinc/53/76/44/1273537644.db2.gz KOMYPWOMJNNTOT-UIORMTCPSA-N 2 1 351.451 0.189 20 0 FCADMP C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001576715114 1273586720 /nfs/dbraw/zinc/58/67/20/1273586720.db2.gz SFFDZYRYDGYZMK-ILXRZTDVSA-N 2 1 361.494 0.512 20 0 FCADMP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001576822746 1273743544 /nfs/dbraw/zinc/74/35/44/1273743544.db2.gz AIOLGBHJRNMMBC-LZWOXQAQSA-N 2 1 374.493 0.183 20 0 FCADMP C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576840002 1273778049 /nfs/dbraw/zinc/77/80/49/1273778049.db2.gz YFWAIWXXKODHHI-KDOFPFPSSA-N 2 1 350.511 0.731 20 0 FCADMP C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576863257 1273828407 /nfs/dbraw/zinc/82/84/07/1273828407.db2.gz YYJHDIICZDQUIR-HUUCEWRRSA-N 2 1 359.478 0.921 20 0 FCADMP C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576863257 1273828417 /nfs/dbraw/zinc/82/84/17/1273828417.db2.gz YYJHDIICZDQUIR-HUUCEWRRSA-N 2 1 359.478 0.921 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3cn[nH]n3)C2)C1 ZINC001576874962 1273851061 /nfs/dbraw/zinc/85/10/61/1273851061.db2.gz AAICBTNTXGDCTB-BXWFABGCSA-N 2 1 360.506 0.907 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3c[nH]nn3)C2)C1 ZINC001576874962 1273851071 /nfs/dbraw/zinc/85/10/71/1273851071.db2.gz AAICBTNTXGDCTB-BXWFABGCSA-N 2 1 360.506 0.907 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3c[nH]nn3)C2)C1 ZINC001576874962 1273851076 /nfs/dbraw/zinc/85/10/76/1273851076.db2.gz AAICBTNTXGDCTB-BXWFABGCSA-N 2 1 360.506 0.907 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576911023 1273926810 /nfs/dbraw/zinc/92/68/10/1273926810.db2.gz VNNJGSNBOSFBQQ-MCIONIFRSA-N 2 1 374.411 0.810 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576911023 1273926814 /nfs/dbraw/zinc/92/68/14/1273926814.db2.gz VNNJGSNBOSFBQQ-MCIONIFRSA-N 2 1 374.411 0.810 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576911023 1273926822 /nfs/dbraw/zinc/92/68/22/1273926822.db2.gz VNNJGSNBOSFBQQ-MCIONIFRSA-N 2 1 374.411 0.810 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C)C(=O)C1 ZINC001576994593 1274025861 /nfs/dbraw/zinc/02/58/61/1274025861.db2.gz GEFDPMLGTMAPJY-CABCVRRESA-N 2 1 363.510 0.711 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCc3cn[nH]n3)CCOCC2)CC[N@H+]1C ZINC001577211630 1274251637 /nfs/dbraw/zinc/25/16/37/1274251637.db2.gz IHWBYORXKYMHIX-GJZGRUSLSA-N 2 1 364.494 0.333 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCc3c[nH]nn3)CCOCC2)CC[N@@H+]1C ZINC001577211630 1274251640 /nfs/dbraw/zinc/25/16/40/1274251640.db2.gz IHWBYORXKYMHIX-GJZGRUSLSA-N 2 1 364.494 0.333 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCc3c[nH]nn3)CCOCC2)CC[N@H+]1C ZINC001577211630 1274251648 /nfs/dbraw/zinc/25/16/48/1274251648.db2.gz IHWBYORXKYMHIX-GJZGRUSLSA-N 2 1 364.494 0.333 20 0 FCADMP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001577476662 1274432793 /nfs/dbraw/zinc/43/27/93/1274432793.db2.gz AKURROYGMXHVDZ-UONOGXRCSA-N 2 1 372.477 0.722 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC2CC[NH2+]CC2)CC1 ZINC001577542057 1274481101 /nfs/dbraw/zinc/48/11/01/1274481101.db2.gz LBORERLDHLFQIH-UHFFFAOYSA-N 2 1 353.511 0.618 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001577550281 1274489143 /nfs/dbraw/zinc/48/91/43/1274489143.db2.gz CGNHPYPAXVSESI-UONOGXRCSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577551186 1274490742 /nfs/dbraw/zinc/49/07/42/1274490742.db2.gz QBBDRVRCBBVSKB-WBMJQRKESA-N 2 1 372.477 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554074 1274495741 /nfs/dbraw/zinc/49/57/41/1274495741.db2.gz PDIYJECYYULDNJ-CQSZACIVSA-N 2 1 372.477 0.949 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577560828 1274509256 /nfs/dbraw/zinc/50/92/56/1274509256.db2.gz ITIGUELQFSLHAR-UHFFFAOYSA-N 2 1 358.450 0.395 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577562635 1274513742 /nfs/dbraw/zinc/51/37/42/1274513742.db2.gz CZQXTMXTAWAYND-AWEZNQCLSA-N 2 1 372.477 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577563672 1274517716 /nfs/dbraw/zinc/51/77/16/1274517716.db2.gz WMBGJLSBSOJHSE-LBPRGKRZSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563762 1274518095 /nfs/dbraw/zinc/51/80/95/1274518095.db2.gz ZYHDXBFLOSXEGJ-HDJSIYSDSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001577565259 1274519830 /nfs/dbraw/zinc/51/98/30/1274519830.db2.gz LUXHCOIDAJMUCV-LLVKDONJSA-N 2 1 351.480 0.864 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577565110 1274520390 /nfs/dbraw/zinc/52/03/90/1274520390.db2.gz ILKPTNAGFLEZOK-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565407 1274522088 /nfs/dbraw/zinc/52/20/88/1274522088.db2.gz ULEPSOPTGFRNIX-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565407 1274522091 /nfs/dbraw/zinc/52/20/91/1274522091.db2.gz ULEPSOPTGFRNIX-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577565407 1274522096 /nfs/dbraw/zinc/52/20/96/1274522096.db2.gz ULEPSOPTGFRNIX-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577568185 1274527283 /nfs/dbraw/zinc/52/72/83/1274527283.db2.gz MWRRRRARLBXVCO-CYBMUJFWSA-N 2 1 360.466 0.674 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666319 1274684966 /nfs/dbraw/zinc/68/49/66/1274684966.db2.gz ZHHWERNOFIRLTQ-CZUORRHYSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577672823 1274704545 /nfs/dbraw/zinc/70/45/45/1274704545.db2.gz CUDBJZKRPRXZCU-HNNXBMFYSA-N 2 1 370.461 0.619 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[NH2+][C@H](C)C2)C1 ZINC001577763566 1274846641 /nfs/dbraw/zinc/84/66/41/1274846641.db2.gz FBJMDJFCTOTQJP-HUUCEWRRSA-N 2 1 356.478 0.875 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@H]([NH2+]C)C2)C1 ZINC001577764071 1274847700 /nfs/dbraw/zinc/84/77/00/1274847700.db2.gz PROXFBFFJQBKEQ-CABCVRRESA-N 2 1 356.478 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577855269 1275005132 /nfs/dbraw/zinc/00/51/32/1275005132.db2.gz AGYNGQQFAXCFBQ-CQSZACIVSA-N 2 1 372.477 0.818 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577859962 1275022187 /nfs/dbraw/zinc/02/21/87/1275022187.db2.gz QGVACRVBEPMKTI-QWHCGFSZSA-N 2 1 360.466 0.639 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577862603 1275029227 /nfs/dbraw/zinc/02/92/27/1275029227.db2.gz GWMRLZPGYUAUMU-HNNXBMFYSA-N 2 1 372.477 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577862603 1275029234 /nfs/dbraw/zinc/02/92/34/1275029234.db2.gz GWMRLZPGYUAUMU-HNNXBMFYSA-N 2 1 372.477 0.935 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862724 1275031983 /nfs/dbraw/zinc/03/19/83/1275031983.db2.gz JIHSDOBJIXXBBY-KGLIPLIRSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577866990 1275047535 /nfs/dbraw/zinc/04/75/35/1275047535.db2.gz RARGHTHHRKJHRM-UHFFFAOYSA-N 2 1 357.462 0.757 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867274 1275050595 /nfs/dbraw/zinc/05/05/95/1275050595.db2.gz ZIFCVVMMAWVRDR-CQSZACIVSA-N 2 1 372.477 0.936 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001577871910 1275060473 /nfs/dbraw/zinc/06/04/73/1275060473.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001577871910 1275060479 /nfs/dbraw/zinc/06/04/79/1275060479.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001577871910 1275060487 /nfs/dbraw/zinc/06/04/87/1275060487.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577872200 1275062227 /nfs/dbraw/zinc/06/22/27/1275062227.db2.gz WJCLPIZGMOWLHA-HDJSIYSDSA-N 2 1 372.477 0.865 20 0 FCADMP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577950000 1275170379 /nfs/dbraw/zinc/17/03/79/1275170379.db2.gz WDJYMSPJZDWUTR-ZDUSSCGKSA-N 2 1 358.450 0.464 20 0 FCADMP O=C(N[C@H](C[NH2+]CCc1c[nH]nn1)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001577974528 1275199373 /nfs/dbraw/zinc/19/93/73/1275199373.db2.gz IJFGXZAEAICAHN-QZTJIDSGSA-N 2 1 360.506 0.954 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002400 1275259900 /nfs/dbraw/zinc/25/99/00/1275259900.db2.gz WOADLVHQWWAIDA-MRXNPFEDSA-N 2 1 362.478 0.183 20 0 FCADMP O=C(NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002400 1275259906 /nfs/dbraw/zinc/25/99/06/1275259906.db2.gz WOADLVHQWWAIDA-MRXNPFEDSA-N 2 1 362.478 0.183 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002400 1275259915 /nfs/dbraw/zinc/25/99/15/1275259915.db2.gz WOADLVHQWWAIDA-MRXNPFEDSA-N 2 1 362.478 0.183 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[NH2+]C)CC1 ZINC001578115812 1275418526 /nfs/dbraw/zinc/41/85/26/1275418526.db2.gz YRJQSBZEVJTOHN-HNNXBMFYSA-N 2 1 374.493 0.502 20 0 FCADMP CCOCc1nnc(N2CCC[C@@H](C[NH3+])C2)n1CCC[NH+]1CCOCC1 ZINC001578134921 1275433468 /nfs/dbraw/zinc/43/34/68/1275433468.db2.gz GTMHQFONTSQQHE-INIZCTEOSA-N 2 1 366.510 0.712 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219763 1275517546 /nfs/dbraw/zinc/51/75/46/1275517546.db2.gz QCMHMJVILZFFIH-XJKSGUPXSA-N 2 1 372.477 0.865 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001578324025 1275667279 /nfs/dbraw/zinc/66/72/79/1275667279.db2.gz CZQSQWXWSSVKRS-HOTGVXAUSA-N 2 1 350.511 0.876 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1)C(=O)OC(C)(C)C ZINC001578451870 1275847803 /nfs/dbraw/zinc/84/78/03/1275847803.db2.gz AJCUGJCWYGGMCX-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH2+]CC2)C1 ZINC001578525553 1275957613 /nfs/dbraw/zinc/95/76/13/1275957613.db2.gz HFNILXPBDRKWTH-IBGZPJMESA-N 2 1 374.464 0.484 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578525999 1275959056 /nfs/dbraw/zinc/95/90/56/1275959056.db2.gz WPZXJOJIQJKNMX-LPHOPBHVSA-N 2 1 371.489 0.116 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)c2)CC1 ZINC001578536437 1275965307 /nfs/dbraw/zinc/96/53/07/1275965307.db2.gz SOQYYLSLKPOCBP-AZUAARDMSA-N 2 1 358.486 0.429 20 0 FCADMP CN1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001578536644 1275966620 /nfs/dbraw/zinc/96/66/20/1275966620.db2.gz DOHGQQZULBYLCO-GASCZTMLSA-N 2 1 359.478 0.023 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001578612048 1276048766 /nfs/dbraw/zinc/04/87/66/1276048766.db2.gz VSNFEESBGLKXPG-HOCLYGCPSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001578612048 1276048770 /nfs/dbraw/zinc/04/87/70/1276048770.db2.gz VSNFEESBGLKXPG-HOCLYGCPSA-N 2 1 374.493 0.197 20 0 FCADMP C[NH2+][C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001578612084 1276048827 /nfs/dbraw/zinc/04/88/27/1276048827.db2.gz WKHHWZUHVHWBIK-INIZCTEOSA-N 2 1 373.505 0.574 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)CCOC)C1 ZINC001578615589 1276051540 /nfs/dbraw/zinc/05/15/40/1276051540.db2.gz NSYRTOWMQCNUNV-HZPDHXFCSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+]CCn1c(-c2ccccn2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001578720614 1276194284 /nfs/dbraw/zinc/19/42/84/1276194284.db2.gz IVIQVIHLSBPZPA-LJQANCHMSA-N 2 1 371.489 0.861 20 0 FCADMP COC(=O)C1([C@]2(O)CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)CCC1 ZINC001578778256 1276261402 /nfs/dbraw/zinc/26/14/02/1276261402.db2.gz RDCXTGATTSDLHP-WDYCEAGBSA-N 2 1 352.475 0.925 20 0 FCADMP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578968539 1276513329 /nfs/dbraw/zinc/51/33/29/1276513329.db2.gz JEEFBLJJHJBMOR-CYBMUJFWSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001578970485 1276514890 /nfs/dbraw/zinc/51/48/90/1276514890.db2.gz CSJBPDQKUUQKIW-CYBMUJFWSA-N 2 1 370.461 0.689 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578975983 1276525690 /nfs/dbraw/zinc/52/56/90/1276525690.db2.gz MMZMGHPAZCPJOQ-INIZCTEOSA-N 2 1 363.491 0.961 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001578975749 1276526786 /nfs/dbraw/zinc/52/67/86/1276526786.db2.gz GLSNOZTYOBIZIG-DLBZAZTESA-N 2 1 369.473 0.851 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001578976216 1276528046 /nfs/dbraw/zinc/52/80/46/1276528046.db2.gz RMKGJULZUCNZMH-IYBDPMFKSA-N 2 1 369.473 0.709 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578978050 1276533505 /nfs/dbraw/zinc/53/35/05/1276533505.db2.gz DCSWLRBYZNASHT-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001578981226 1276542198 /nfs/dbraw/zinc/54/21/98/1276542198.db2.gz UZBNVDSHQBWNAY-OSYLJGHBSA-N 2 1 369.473 0.612 20 0 FCADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578982320 1276545770 /nfs/dbraw/zinc/54/57/70/1276545770.db2.gz LIJKXQNWJQMQHR-ZDUSSCGKSA-N 2 1 358.450 0.641 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001578987577 1276557524 /nfs/dbraw/zinc/55/75/24/1276557524.db2.gz JVGHHSPWIMTBTG-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH2+]CC1 ZINC001579014126 1276588207 /nfs/dbraw/zinc/58/82/07/1276588207.db2.gz JHGXFQSJSPIYSN-MRXNPFEDSA-N 2 1 366.510 0.898 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021274 1276599300 /nfs/dbraw/zinc/59/93/00/1276599300.db2.gz LKLWLZIPKKSPGZ-JKSUJKDBSA-N 2 1 366.510 0.548 20 0 FCADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC([NH3+])CC1 ZINC001579028792 1276611094 /nfs/dbraw/zinc/61/10/94/1276611094.db2.gz XFYPZJDOUKLLIK-OAHLLOKOSA-N 2 1 366.510 0.678 20 0 FCADMP COCC[NH+]1CCN(c2nnc(CC3CC3)n2CC[C@H]2CC[NH2+]C2)CC1 ZINC001579038590 1276624000 /nfs/dbraw/zinc/62/40/00/1276624000.db2.gz JVOASCPFJPQDLL-QGZVFWFLSA-N 2 1 362.522 0.999 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001579120483 1276794291 /nfs/dbraw/zinc/79/42/91/1276794291.db2.gz FUESTKDREOTVRB-BRSBDYLESA-N 2 1 362.474 0.155 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579133081 1276827911 /nfs/dbraw/zinc/82/79/11/1276827911.db2.gz UQAGKIMWBIZULH-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579133081 1276827927 /nfs/dbraw/zinc/82/79/27/1276827927.db2.gz UQAGKIMWBIZULH-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579133081 1276827935 /nfs/dbraw/zinc/82/79/35/1276827935.db2.gz UQAGKIMWBIZULH-INIZCTEOSA-N 2 1 357.462 0.709 20 0 FCADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177150 1276938234 /nfs/dbraw/zinc/93/82/34/1276938234.db2.gz YDXYIOZTWWCSPW-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177150 1276938238 /nfs/dbraw/zinc/93/82/38/1276938238.db2.gz YDXYIOZTWWCSPW-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177150 1276938245 /nfs/dbraw/zinc/93/82/45/1276938245.db2.gz YDXYIOZTWWCSPW-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579177150 1276938250 /nfs/dbraw/zinc/93/82/50/1276938250.db2.gz YDXYIOZTWWCSPW-GFCCVEGCSA-N 2 1 363.491 0.818 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579187624 1276956627 /nfs/dbraw/zinc/95/66/27/1276956627.db2.gz YOWIFVWXGQQOBL-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579187624 1276956631 /nfs/dbraw/zinc/95/66/31/1276956631.db2.gz YOWIFVWXGQQOBL-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579187624 1276956645 /nfs/dbraw/zinc/95/66/45/1276956645.db2.gz YOWIFVWXGQQOBL-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325280 1277143231 /nfs/dbraw/zinc/14/32/31/1277143231.db2.gz GYNOKLLFYGSRJY-UONOGXRCSA-N 2 1 370.461 0.498 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579326257 1277148883 /nfs/dbraw/zinc/14/88/83/1277148883.db2.gz NTFSLPQSDNEQDN-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326257 1277148889 /nfs/dbraw/zinc/14/88/89/1277148889.db2.gz NTFSLPQSDNEQDN-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326257 1277148895 /nfs/dbraw/zinc/14/88/95/1277148895.db2.gz NTFSLPQSDNEQDN-IAGOWNOFSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579327339 1277155532 /nfs/dbraw/zinc/15/55/32/1277155532.db2.gz QWXOBELQOJGMQR-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579327296 1277155714 /nfs/dbraw/zinc/15/57/14/1277155714.db2.gz ZFRSGFSNWPMUIO-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579327296 1277155718 /nfs/dbraw/zinc/15/57/18/1277155718.db2.gz ZFRSGFSNWPMUIO-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579327296 1277155722 /nfs/dbraw/zinc/15/57/22/1277155722.db2.gz ZFRSGFSNWPMUIO-HZPDHXFCSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327378 1277155829 /nfs/dbraw/zinc/15/58/29/1277155829.db2.gz RLSRFIHDTBWSDC-RDJZCZTQSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331256 1277160162 /nfs/dbraw/zinc/16/01/62/1277160162.db2.gz AADPTJWBEUMQSD-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331256 1277160165 /nfs/dbraw/zinc/16/01/65/1277160165.db2.gz AADPTJWBEUMQSD-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579331256 1277160167 /nfs/dbraw/zinc/16/01/67/1277160167.db2.gz AADPTJWBEUMQSD-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579331382 1277160236 /nfs/dbraw/zinc/16/02/36/1277160236.db2.gz AZUPTVHMBJIDAN-ZDUSSCGKSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332880 1277165245 /nfs/dbraw/zinc/16/52/45/1277165245.db2.gz MHUWIEOKDYMLJH-APWZRJJASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332880 1277165251 /nfs/dbraw/zinc/16/52/51/1277165251.db2.gz MHUWIEOKDYMLJH-APWZRJJASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332880 1277165257 /nfs/dbraw/zinc/16/52/57/1277165257.db2.gz MHUWIEOKDYMLJH-APWZRJJASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333017 1277165367 /nfs/dbraw/zinc/16/53/67/1277165367.db2.gz NRQHUTFTTXFHPT-KPZWWZAWSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333852 1277169177 /nfs/dbraw/zinc/16/91/77/1277169177.db2.gz SNAVQMYJUXHRFK-APWZRJJASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333852 1277169179 /nfs/dbraw/zinc/16/91/79/1277169179.db2.gz SNAVQMYJUXHRFK-APWZRJJASA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579333852 1277169182 /nfs/dbraw/zinc/16/91/82/1277169182.db2.gz SNAVQMYJUXHRFK-APWZRJJASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333987 1277171033 /nfs/dbraw/zinc/17/10/33/1277171033.db2.gz UEPARXJQWBPQHS-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333987 1277171034 /nfs/dbraw/zinc/17/10/34/1277171034.db2.gz UEPARXJQWBPQHS-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333987 1277171035 /nfs/dbraw/zinc/17/10/35/1277171035.db2.gz UEPARXJQWBPQHS-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579333987 1277171036 /nfs/dbraw/zinc/17/10/36/1277171036.db2.gz UEPARXJQWBPQHS-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334882 1277172788 /nfs/dbraw/zinc/17/27/88/1277172788.db2.gz ITRDDQZETXOMBE-ZIAGYGMSSA-N 2 1 370.461 0.546 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579335666 1277176507 /nfs/dbraw/zinc/17/65/07/1277176507.db2.gz TUKAZEOMRWSCTR-OAHLLOKOSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339771 1277183041 /nfs/dbraw/zinc/18/30/41/1277183041.db2.gz LYJDMTSEHGKJHO-MELADBBJSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339635 1277183319 /nfs/dbraw/zinc/18/33/19/1277183319.db2.gz LGMXLJWKQNFJPU-MWDXBVQZSA-N 2 1 367.457 0.365 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339635 1277183323 /nfs/dbraw/zinc/18/33/23/1277183323.db2.gz LGMXLJWKQNFJPU-MWDXBVQZSA-N 2 1 367.457 0.365 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339635 1277183325 /nfs/dbraw/zinc/18/33/25/1277183325.db2.gz LGMXLJWKQNFJPU-MWDXBVQZSA-N 2 1 367.457 0.365 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339967 1277185942 /nfs/dbraw/zinc/18/59/42/1277185942.db2.gz OQFYVUCGLSMBAF-DFBGVHRSSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579339975 1277185994 /nfs/dbraw/zinc/18/59/94/1277185994.db2.gz OTJFDPLCDXACDK-HRCADAONSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579340927 1277186930 /nfs/dbraw/zinc/18/69/30/1277186930.db2.gz CVPBFYDWSASGRW-ZDUSSCGKSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579340927 1277186933 /nfs/dbraw/zinc/18/69/33/1277186933.db2.gz CVPBFYDWSASGRW-ZDUSSCGKSA-N 2 1 356.434 0.252 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341393 1277189283 /nfs/dbraw/zinc/18/92/83/1277189283.db2.gz KARPDAZHJHECLY-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579345080 1277196758 /nfs/dbraw/zinc/19/67/58/1277196758.db2.gz UGLJVYYAHKWNKH-LRDDRELGSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579346905 1277199104 /nfs/dbraw/zinc/19/91/04/1277199104.db2.gz UIIMJWXHAKMLPP-AWEZNQCLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353887 1277217538 /nfs/dbraw/zinc/21/75/38/1277217538.db2.gz WBDYKPALEGOKDD-CZUORRHYSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359520 1277233465 /nfs/dbraw/zinc/23/34/65/1277233465.db2.gz WMKRRXDAWYMWCT-PREGVCBESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361433 1277237980 /nfs/dbraw/zinc/23/79/80/1277237980.db2.gz KVNLVZZJJKFKGG-MJBXVCDLSA-N 2 1 370.461 0.617 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361724 1277238216 /nfs/dbraw/zinc/23/82/16/1277238216.db2.gz PSDCNIGSIXJXTH-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361724 1277238229 /nfs/dbraw/zinc/23/82/29/1277238229.db2.gz PSDCNIGSIXJXTH-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579361724 1277238230 /nfs/dbraw/zinc/23/82/30/1277238230.db2.gz PSDCNIGSIXJXTH-VVLHAWIVSA-N 2 1 367.457 0.507 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579363197 1277241051 /nfs/dbraw/zinc/24/10/51/1277241051.db2.gz XMVDKEKUWUOUMB-IJEWVQPXSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369951 1277253789 /nfs/dbraw/zinc/25/37/89/1277253789.db2.gz DCAXXWFUYVERQE-XJKSGUPXSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381343 1277260627 /nfs/dbraw/zinc/26/06/27/1277260627.db2.gz UWAIRXLDFAQIBG-VYDXJSESSA-N 2 1 367.457 0.856 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381343 1277260633 /nfs/dbraw/zinc/26/06/33/1277260633.db2.gz UWAIRXLDFAQIBG-VYDXJSESSA-N 2 1 367.457 0.856 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001579381343 1277260640 /nfs/dbraw/zinc/26/06/40/1277260640.db2.gz UWAIRXLDFAQIBG-VYDXJSESSA-N 2 1 367.457 0.856 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001579406745 1277288262 /nfs/dbraw/zinc/28/82/62/1277288262.db2.gz PSRWSDHUDBULRG-IIDMSEBBSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001579490365 1277402309 /nfs/dbraw/zinc/40/23/09/1277402309.db2.gz OGHAZHNNWICYNU-AWEZNQCLSA-N 2 1 350.467 0.342 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CCn1cncn1 ZINC001713467242 1287281095 /nfs/dbraw/zinc/28/10/95/1287281095.db2.gz FTIAJRUJGCIWFX-MSOLQXFVSA-N 2 1 356.474 0.672 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CCn1cncn1 ZINC001713467242 1287281096 /nfs/dbraw/zinc/28/10/96/1287281096.db2.gz FTIAJRUJGCIWFX-MSOLQXFVSA-N 2 1 356.474 0.672 20 0 FCADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CCn1cncn1 ZINC001713467242 1287281097 /nfs/dbraw/zinc/28/10/97/1287281097.db2.gz FTIAJRUJGCIWFX-MSOLQXFVSA-N 2 1 356.474 0.672 20 0 FCADMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC001580015152 1277990949 /nfs/dbraw/zinc/99/09/49/1277990949.db2.gz NQNHZEMBXOBXIW-TZMCWYRMSA-N 2 1 373.461 0.421 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC001580018203 1277992125 /nfs/dbraw/zinc/99/21/25/1277992125.db2.gz DBXRGIFKIUOMEK-XQLPTFJDSA-N 2 1 351.413 0.996 20 0 FCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580270823 1278064492 /nfs/dbraw/zinc/06/44/92/1278064492.db2.gz GJNXSMVCRPRARV-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC001580275697 1278069162 /nfs/dbraw/zinc/06/91/62/1278069162.db2.gz ZGFKIHNFCNAVTI-AAEUAGOBSA-N 2 1 351.394 0.946 20 0 FCADMP NS(=O)(=O)c1ccc(CC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC001580275697 1278069169 /nfs/dbraw/zinc/06/91/69/1278069169.db2.gz ZGFKIHNFCNAVTI-AAEUAGOBSA-N 2 1 351.394 0.946 20 0 FCADMP [NH3+]C[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1C(F)(F)F ZINC001580274711 1278070223 /nfs/dbraw/zinc/07/02/23/1278070223.db2.gz BTEVCSDDDLTYMB-AVGNSLFASA-N 2 1 355.426 0.871 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCn1c(C)csc1=O ZINC001714587291 1287327212 /nfs/dbraw/zinc/32/72/12/1287327212.db2.gz UCIBADHIBDQDFE-HUUCEWRRSA-N 2 1 354.520 0.997 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCn1c(C)csc1=O ZINC001714587291 1287327213 /nfs/dbraw/zinc/32/72/13/1287327213.db2.gz UCIBADHIBDQDFE-HUUCEWRRSA-N 2 1 354.520 0.997 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCn1c(C)csc1=O ZINC001714587291 1287327214 /nfs/dbraw/zinc/32/72/14/1287327214.db2.gz UCIBADHIBDQDFE-HUUCEWRRSA-N 2 1 354.520 0.997 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940500 1279148493 /nfs/dbraw/zinc/14/84/93/1279148493.db2.gz AHROAFKTUCUXMG-ZDUSSCGKSA-N 2 1 372.477 0.995 20 0 FCADMP Cc1cc(N(CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949940 1279156490 /nfs/dbraw/zinc/15/64/90/1279156490.db2.gz URNBSTUKZJMQMT-ZDUSSCGKSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962355 1279167239 /nfs/dbraw/zinc/16/72/39/1279167239.db2.gz SXAGUKIICPKDQP-CYBMUJFWSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991795 1279196330 /nfs/dbraw/zinc/19/63/30/1279196330.db2.gz WGVGVFAFQOFMOF-STQMWFEESA-N 2 1 358.450 0.203 20 0 FCADMP Cc1cc(NC2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003237 1279220887 /nfs/dbraw/zinc/22/08/87/1279220887.db2.gz LDBUSOKYNXZMOM-UHFFFAOYSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006135 1279225393 /nfs/dbraw/zinc/22/53/93/1279225393.db2.gz LKQYBNZJGGIQAF-ZIAGYGMSSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010182 1279236436 /nfs/dbraw/zinc/23/64/36/1279236436.db2.gz GPTVLGCDGNMQEW-TZMCWYRMSA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022578 1279253184 /nfs/dbraw/zinc/25/31/84/1279253184.db2.gz CVVDMAJAKMIJKA-BBRMVZONSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028241 1279263348 /nfs/dbraw/zinc/26/33/48/1279263348.db2.gz MSIANXUDKWMZEX-KBPBESRZSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030767 1279268194 /nfs/dbraw/zinc/26/81/94/1279268194.db2.gz MQEQBUWQJHYHTA-WCQYABFASA-N 2 1 358.450 0.250 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581337733 1279715538 /nfs/dbraw/zinc/71/55/38/1279715538.db2.gz HFQOJAQDUDPKRH-MRXNPFEDSA-N 2 1 366.429 0.762 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001581339382 1279720401 /nfs/dbraw/zinc/72/04/01/1279720401.db2.gz FDEDQCZBQYVKBZ-UHFFFAOYSA-N 2 1 366.429 0.810 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001581562178 1280136271 /nfs/dbraw/zinc/13/62/71/1280136271.db2.gz LPVZWXMAMCMZNJ-UHFFFAOYSA-N 2 1 368.445 0.962 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001581562178 1280136276 /nfs/dbraw/zinc/13/62/76/1280136276.db2.gz LPVZWXMAMCMZNJ-UHFFFAOYSA-N 2 1 368.445 0.962 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603598555 1287433244 /nfs/dbraw/zinc/43/32/44/1287433244.db2.gz IUUGQQGEDLOVDO-UVBJJODRSA-N 2 1 355.446 0.782 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C[NH+](C)Cc3ccccc3)C2)CC[N@@H+]1C ZINC001582016212 1280917448 /nfs/dbraw/zinc/91/74/48/1280917448.db2.gz WDCNRGZVEAWYNL-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C[NH+](C)Cc3ccccc3)C2)CC[N@H+]1C ZINC001582016212 1280917454 /nfs/dbraw/zinc/91/74/54/1280917454.db2.gz WDCNRGZVEAWYNL-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC001582016212 1280917462 /nfs/dbraw/zinc/91/74/62/1280917462.db2.gz WDCNRGZVEAWYNL-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC001582016212 1280917468 /nfs/dbraw/zinc/91/74/68/1280917468.db2.gz WDCNRGZVEAWYNL-CRAIPNDOSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001718122680 1287460820 /nfs/dbraw/zinc/46/08/20/1287460820.db2.gz YZRGJXHJUFCFSE-OAGGEKHMSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001718122680 1287460825 /nfs/dbraw/zinc/46/08/25/1287460825.db2.gz YZRGJXHJUFCFSE-OAGGEKHMSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001718122680 1287460829 /nfs/dbraw/zinc/46/08/29/1287460829.db2.gz YZRGJXHJUFCFSE-OAGGEKHMSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001718122680 1287460833 /nfs/dbraw/zinc/46/08/33/1287460833.db2.gz YZRGJXHJUFCFSE-OAGGEKHMSA-N 2 1 368.522 0.258 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001604198689 1287586849 /nfs/dbraw/zinc/58/68/49/1287586849.db2.gz RJUANCHLSNFYLJ-MRXNPFEDSA-N 2 1 374.493 0.887 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198608 1287587380 /nfs/dbraw/zinc/58/73/80/1287587380.db2.gz OOSQNLPPEIXMOS-STQMWFEESA-N 2 1 360.466 0.721 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(C)C ZINC001604304918 1287601892 /nfs/dbraw/zinc/60/18/92/1287601892.db2.gz QIUWPETZGZAIAV-INIZCTEOSA-N 2 1 357.462 0.900 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C(C)C ZINC001604304918 1287601895 /nfs/dbraw/zinc/60/18/95/1287601895.db2.gz QIUWPETZGZAIAV-INIZCTEOSA-N 2 1 357.462 0.900 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001589676645 1282936090 /nfs/dbraw/zinc/93/60/90/1282936090.db2.gz MDLQAZQDIWWKCT-VOTSOKGWSA-N 2 1 357.462 0.969 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001682287184 1283556461 /nfs/dbraw/zinc/55/64/61/1283556461.db2.gz ULFKNKQUXVJHOG-JKSUJKDBSA-N 2 1 359.474 0.593 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682495040 1283623770 /nfs/dbraw/zinc/62/37/70/1283623770.db2.gz KSRXEZWTHDRHFY-OWCLPIDISA-N 2 1 366.506 0.031 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CC[N@H+]1C ZINC001590862436 1283932992 /nfs/dbraw/zinc/93/29/92/1283932992.db2.gz AQKRMQBEVMVJJI-CMPLNLGQSA-N 2 1 361.454 0.411 20 0 FCADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001591038767 1284099932 /nfs/dbraw/zinc/09/99/32/1284099932.db2.gz QYFBAJLMTFWNQP-UHFFFAOYSA-N 2 1 361.425 0.696 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001591175200 1284261335 /nfs/dbraw/zinc/26/13/35/1284261335.db2.gz JCGFIDLNALKQDB-ZZKXABKFSA-N 2 1 361.475 0.642 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001591175021 1284261990 /nfs/dbraw/zinc/26/19/90/1284261990.db2.gz LMEOSLYFFVMEPK-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001591175021 1284261999 /nfs/dbraw/zinc/26/19/99/1284261999.db2.gz LMEOSLYFFVMEPK-ZIAGYGMSSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175592 1284267151 /nfs/dbraw/zinc/26/71/51/1284267151.db2.gz QDSJZTOIMLZXSU-CHWSQXEVSA-N 2 1 356.434 0.156 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001591178594 1284277104 /nfs/dbraw/zinc/27/71/04/1284277104.db2.gz WTDLGEKMXUTHAT-MCIONIFRSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[NH+](C)C1 ZINC001591184811 1284293531 /nfs/dbraw/zinc/29/35/31/1284293531.db2.gz PMHPVOWYDCNYDW-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[N@H+](C)C1 ZINC001591184811 1284293537 /nfs/dbraw/zinc/29/35/37/1284293537.db2.gz PMHPVOWYDCNYDW-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP C[NH+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001591184811 1284293550 /nfs/dbraw/zinc/29/35/50/1284293550.db2.gz PMHPVOWYDCNYDW-CABCVRRESA-N 2 1 360.462 0.880 20 0 FCADMP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@]2(C)C1 ZINC001591196758 1284320363 /nfs/dbraw/zinc/32/03/63/1284320363.db2.gz YIEYUBYCICLZJB-ALKREAHSSA-N 2 1 367.457 0.464 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(-c5nn[nH]n5)ccc43)C[C@]2(C)C1 ZINC001591196758 1284320373 /nfs/dbraw/zinc/32/03/73/1284320373.db2.gz YIEYUBYCICLZJB-ALKREAHSSA-N 2 1 367.457 0.464 20 0 FCADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1-c1nn[nH]n1 ZINC001591217459 1284354637 /nfs/dbraw/zinc/35/46/37/1284354637.db2.gz FLYDMCMHSGIRBS-LBPRGKRZSA-N 2 1 361.454 0.553 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591217998 1284354691 /nfs/dbraw/zinc/35/46/91/1284354691.db2.gz JRUVBYBTGJWCOQ-KRWDZBQOSA-N 2 1 369.473 0.902 20 0 FCADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684180 1287731998 /nfs/dbraw/zinc/73/19/98/1287731998.db2.gz XEWNARHBCMNZJH-DLBZAZTESA-N 2 1 360.462 0.943 20 0 FCADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684180 1287732005 /nfs/dbraw/zinc/73/20/05/1287732005.db2.gz XEWNARHBCMNZJH-DLBZAZTESA-N 2 1 360.462 0.943 20 0 FCADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684183 1287732444 /nfs/dbraw/zinc/73/24/44/1287732444.db2.gz XEWNARHBCMNZJH-SJORKVTESA-N 2 1 360.462 0.943 20 0 FCADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001604684183 1287732454 /nfs/dbraw/zinc/73/24/54/1287732454.db2.gz XEWNARHBCMNZJH-SJORKVTESA-N 2 1 360.462 0.943 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001591561403 1284733017 /nfs/dbraw/zinc/73/30/17/1284733017.db2.gz GRCMEFKBRFPNSS-OAHLLOKOSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001591561565 1284736099 /nfs/dbraw/zinc/73/60/99/1284736099.db2.gz JGPGOUSKDAQPGT-ZDUSSCGKSA-N 2 1 373.461 0.423 20 0 FCADMP Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001591849452 1284949856 /nfs/dbraw/zinc/94/98/56/1284949856.db2.gz UZFBIKNGSBIGIP-UHFFFAOYSA-N 2 1 357.462 0.737 20 0 FCADMP Cc1cc(N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592004439 1285055609 /nfs/dbraw/zinc/05/56/09/1285055609.db2.gz MAMLMKYKKZBIGG-GXTWGEPZSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592418230 1285340792 /nfs/dbraw/zinc/34/07/92/1285340792.db2.gz VPDMDVUHIVEECS-UHFFFAOYSA-N 2 1 354.418 0.620 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(-c4nn[nH]n4)cc3F)nn2)CC1 ZINC001592741569 1285659335 /nfs/dbraw/zinc/65/93/35/1285659335.db2.gz OXCFCRWULZSTAP-UHFFFAOYSA-N 2 1 371.424 0.611 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC001592747554 1285667000 /nfs/dbraw/zinc/66/70/00/1285667000.db2.gz SBRXRDRDWOUVQX-QGZVFWFLSA-N 2 1 363.425 0.829 20 0 FCADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001592747422 1285667548 /nfs/dbraw/zinc/66/75/48/1285667548.db2.gz MHYMUGQCFVLTLZ-INIZCTEOSA-N 2 1 353.434 0.797 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001592747614 1285668405 /nfs/dbraw/zinc/66/84/05/1285668405.db2.gz VNSSTFYZQJCCFF-IYOUNJFTSA-N 2 1 358.446 0.667 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001592785894 1285710954 /nfs/dbraw/zinc/71/09/54/1285710954.db2.gz BAMKMJIEIQSCLL-YJBOKZPZSA-N 2 1 353.430 0.266 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001592785947 1285711517 /nfs/dbraw/zinc/71/15/17/1285711517.db2.gz BQAUREZLDKVYBF-VQIMIIECSA-N 2 1 367.457 0.656 20 0 FCADMP O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CSC[NH2+]1 ZINC001592988443 1285873916 /nfs/dbraw/zinc/87/39/16/1285873916.db2.gz NYJMKEXDTJMRRK-HNNXBMFYSA-N 2 1 373.486 0.610 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995034 1285878677 /nfs/dbraw/zinc/87/86/77/1285878677.db2.gz OJRUXUKWPAIXPL-HLLBOEOZSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995034 1285878682 /nfs/dbraw/zinc/87/86/82/1285878682.db2.gz OJRUXUKWPAIXPL-HLLBOEOZSA-N 2 1 367.457 0.797 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC001703076322 1286091089 /nfs/dbraw/zinc/09/10/89/1286091089.db2.gz DDLBUPZWYYWZOW-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC[NH+]1C ZINC001703076322 1286091094 /nfs/dbraw/zinc/09/10/94/1286091094.db2.gz DDLBUPZWYYWZOW-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC[NH+]1C ZINC001703076322 1286091097 /nfs/dbraw/zinc/09/10/97/1286091097.db2.gz DDLBUPZWYYWZOW-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C23CCC[NH+]2CCC3)C2CC2)CC[N@H+]1C ZINC001703848041 1286153180 /nfs/dbraw/zinc/15/31/80/1286153180.db2.gz PQQXLMVDOYSTLJ-DJIMGWMZSA-N 2 1 362.518 0.966 20 0 FCADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504941 1286185240 /nfs/dbraw/zinc/18/52/40/1286185240.db2.gz HBYZEZZFBNENAU-XJKSGUPXSA-N 2 1 358.446 0.680 20 0 FCADMP OC[C@H]1CCC[N@H+]1Cc1cc(C[NH+]2CCC[C@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529618 1286193983 /nfs/dbraw/zinc/19/39/83/1286193983.db2.gz WCQKRICBMQAUTF-HDICACEKSA-N 2 1 372.473 0.780 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cc(C[N@@H+]2CCC[C@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529618 1286193985 /nfs/dbraw/zinc/19/39/85/1286193985.db2.gz WCQKRICBMQAUTF-HDICACEKSA-N 2 1 372.473 0.780 20 0 FCADMP OC[C@H]1CCC[NH+]1Cc1cc(C[N@H+]2CCC[C@H]2CO)cc(-c2nn[nH]n2)c1 ZINC001593529618 1286193987 /nfs/dbraw/zinc/19/39/87/1286193987.db2.gz WCQKRICBMQAUTF-HDICACEKSA-N 2 1 372.473 0.780 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001704208933 1286194873 /nfs/dbraw/zinc/19/48/73/1286194873.db2.gz QQQLCSBYFAGRTJ-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001704208933 1286194877 /nfs/dbraw/zinc/19/48/77/1286194877.db2.gz QQQLCSBYFAGRTJ-UKPHBRMFSA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001704208932 1286195141 /nfs/dbraw/zinc/19/51/41/1286195141.db2.gz QQQLCSBYFAGRTJ-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001704208932 1286195146 /nfs/dbraw/zinc/19/51/46/1286195146.db2.gz QQQLCSBYFAGRTJ-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP C[NH2+]CCCNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604892459 1287808661 /nfs/dbraw/zinc/80/86/61/1287808661.db2.gz OIRYABLUNUABED-UHFFFAOYSA-N 2 1 372.477 0.694 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001719244106 1287937026 /nfs/dbraw/zinc/93/70/26/1287937026.db2.gz SWLLNDNRWAAEIT-HUUCEWRRSA-N 2 1 354.495 0.012 20 0 FCADMP Cc1cc(N(C)CCCNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687909 1288050781 /nfs/dbraw/zinc/05/07/81/1288050781.db2.gz BVIKMFLOGZGPSG-UHFFFAOYSA-N 2 1 360.466 0.853 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605719976 1288059445 /nfs/dbraw/zinc/05/94/45/1288059445.db2.gz NHQNMCQFGQMBAG-MGPQQGTHSA-N 2 1 372.477 0.591 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001719304255 1288073266 /nfs/dbraw/zinc/07/32/66/1288073266.db2.gz UBCDQNWGIYDZBK-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001606097317 1288162463 /nfs/dbraw/zinc/16/24/63/1288162463.db2.gz TUUCHMUNRDJVKG-UHFFFAOYSA-N 2 1 368.445 0.962 20 0 FCADMP [NH3+]C/C=C\CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606438454 1288318289 /nfs/dbraw/zinc/31/82/89/1288318289.db2.gz UIUCGPDYWIASER-UPHRSURJSA-N 2 1 370.461 0.599 20 0 FCADMP O=C(N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001606634208 1288417305 /nfs/dbraw/zinc/41/73/05/1288417305.db2.gz ZEEUEDGYPFWUPM-STQMWFEESA-N 2 1 366.429 0.147 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)c3nccs3)CC2)CC[N@@H+]1C ZINC001723516746 1288424588 /nfs/dbraw/zinc/42/45/88/1288424588.db2.gz DCHLDQFUZFEZEG-CHWSQXEVSA-N 2 1 365.503 0.685 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)c3nccs3)CC2)CC[N@H+]1C ZINC001723516746 1288424594 /nfs/dbraw/zinc/42/45/94/1288424594.db2.gz DCHLDQFUZFEZEG-CHWSQXEVSA-N 2 1 365.503 0.685 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001724851596 1288452400 /nfs/dbraw/zinc/45/24/00/1288452400.db2.gz NJIVTRPMQZOGDG-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001724851596 1288452403 /nfs/dbraw/zinc/45/24/03/1288452403.db2.gz NJIVTRPMQZOGDG-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001724851596 1288452405 /nfs/dbraw/zinc/45/24/05/1288452405.db2.gz NJIVTRPMQZOGDG-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](CC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001732062935 1288573121 /nfs/dbraw/zinc/57/31/21/1288573121.db2.gz CKPRNXBCTCIBTF-GUDVDZBRSA-N 2 1 366.550 0.972 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001734018637 1288638096 /nfs/dbraw/zinc/63/80/96/1288638096.db2.gz UYTZYFQKMDYGFE-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP OCC[NH+](Cc1cc(C[N@H+](CCO)C2CC2)cc(-c2nn[nH]n2)c1)C1CC1 ZINC001607107537 1288664721 /nfs/dbraw/zinc/66/47/21/1288664721.db2.gz JKXKJNLEDHFLDT-UHFFFAOYSA-N 2 1 372.473 0.780 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001735722908 1288800598 /nfs/dbraw/zinc/80/05/98/1288800598.db2.gz VKLPHDDXLVEVDC-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+](CCO)CCNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609224792 1288997546 /nfs/dbraw/zinc/99/75/46/1288997546.db2.gz ZHEABWGMPQBICC-UHFFFAOYSA-N 2 1 373.505 0.735 20 0 FCADMP CC[N@@H+](CCO)CCNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609224792 1288997547 /nfs/dbraw/zinc/99/75/47/1288997547.db2.gz ZHEABWGMPQBICC-UHFFFAOYSA-N 2 1 373.505 0.735 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1OC ZINC001735896211 1289004682 /nfs/dbraw/zinc/00/46/82/1289004682.db2.gz ALWXSUDXKIMCJA-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1OC ZINC001735896211 1289004688 /nfs/dbraw/zinc/00/46/88/1289004688.db2.gz ALWXSUDXKIMCJA-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1OC ZINC001735896211 1289004693 /nfs/dbraw/zinc/00/46/93/1289004693.db2.gz ALWXSUDXKIMCJA-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001691917383 1289341259 /nfs/dbraw/zinc/34/12/59/1289341259.db2.gz GTQHMDICAZEJKM-IXDOHACOSA-N 2 1 366.506 0.062 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001691983564 1289356708 /nfs/dbraw/zinc/35/67/08/1289356708.db2.gz CWYYOJQBIRWKNC-LSDHHAIUSA-N 2 1 367.494 0.286 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001691983564 1289356718 /nfs/dbraw/zinc/35/67/18/1289356718.db2.gz CWYYOJQBIRWKNC-LSDHHAIUSA-N 2 1 367.494 0.286 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1CC ZINC001691983564 1289356729 /nfs/dbraw/zinc/35/67/29/1289356729.db2.gz CWYYOJQBIRWKNC-LSDHHAIUSA-N 2 1 367.494 0.286 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1CC ZINC001691983564 1289356739 /nfs/dbraw/zinc/35/67/39/1289356739.db2.gz CWYYOJQBIRWKNC-LSDHHAIUSA-N 2 1 367.494 0.286 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001692084885 1289391641 /nfs/dbraw/zinc/39/16/41/1289391641.db2.gz PJPVAGRDYLTMRN-SJORKVTESA-N 2 1 371.547 0.687 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001692084885 1289391647 /nfs/dbraw/zinc/39/16/47/1289391647.db2.gz PJPVAGRDYLTMRN-SJORKVTESA-N 2 1 371.547 0.687 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236738 1289435200 /nfs/dbraw/zinc/43/52/00/1289435200.db2.gz NCWCPZOVDWYTHW-NJAFHUGGSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236738 1289435204 /nfs/dbraw/zinc/43/52/04/1289435204.db2.gz NCWCPZOVDWYTHW-NJAFHUGGSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOCCNC(C)=O)[C@@H]1C ZINC001692236738 1289435206 /nfs/dbraw/zinc/43/52/06/1289435206.db2.gz NCWCPZOVDWYTHW-NJAFHUGGSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692281183 1289441480 /nfs/dbraw/zinc/44/14/80/1289441480.db2.gz UWRXUMDYKUGPDV-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692281183 1289441486 /nfs/dbraw/zinc/44/14/86/1289441486.db2.gz UWRXUMDYKUGPDV-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692281183 1289441492 /nfs/dbraw/zinc/44/14/92/1289441492.db2.gz UWRXUMDYKUGPDV-KURKYZTESA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001692387455 1289456341 /nfs/dbraw/zinc/45/63/41/1289456341.db2.gz TYFQJGPUXDFPSS-PMPSAXMXSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001692387455 1289456344 /nfs/dbraw/zinc/45/63/44/1289456344.db2.gz TYFQJGPUXDFPSS-PMPSAXMXSA-N 2 1 359.536 0.732 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001698082799 1289523525 /nfs/dbraw/zinc/52/35/25/1289523525.db2.gz UDJFZTIPWFRIMK-KRWDZBQOSA-N 2 1 366.510 0.202 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001698082799 1289523531 /nfs/dbraw/zinc/52/35/31/1289523531.db2.gz UDJFZTIPWFRIMK-KRWDZBQOSA-N 2 1 366.510 0.202 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001698706894 1289533287 /nfs/dbraw/zinc/53/32/87/1289533287.db2.gz DFMPZJPUTUVZGX-AIEDFZFUSA-N 2 1 367.494 0.188 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)CC[N@H+]1C ZINC001699257876 1289548055 /nfs/dbraw/zinc/54/80/55/1289548055.db2.gz FLBXKVNMZGEFQS-PRXHZCDDSA-N 2 1 358.446 0.125 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001699440993 1289554200 /nfs/dbraw/zinc/55/42/00/1289554200.db2.gz IJXBTEUTAVFXIN-SOUVJXGZSA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001699440993 1289554208 /nfs/dbraw/zinc/55/42/08/1289554208.db2.gz IJXBTEUTAVFXIN-SOUVJXGZSA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001699440993 1289554217 /nfs/dbraw/zinc/55/42/17/1289554217.db2.gz IJXBTEUTAVFXIN-SOUVJXGZSA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001699440993 1289554226 /nfs/dbraw/zinc/55/42/26/1289554226.db2.gz IJXBTEUTAVFXIN-SOUVJXGZSA-N 2 1 362.540 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H]3CCN(C(C)C)C3=O)CC2)CC[N@H+]1C ZINC001699651811 1289560030 /nfs/dbraw/zinc/56/00/30/1289560030.db2.gz RWTSALNEFNWJRV-ARFHVFGLSA-N 2 1 350.507 0.964 20 0 FCADMP COCCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001739117366 1289809408 /nfs/dbraw/zinc/80/94/08/1289809408.db2.gz RILWTIHCFZCDAJ-NVXWUHKLSA-N 2 1 368.522 0.260 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739458497 1290035800 /nfs/dbraw/zinc/03/58/00/1290035800.db2.gz YXWZQWIXWMCXJJ-IXDOHACOSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001702323670 1290046514 /nfs/dbraw/zinc/04/65/14/1290046514.db2.gz IMQLPUCSIUUHPS-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001739469716 1290058253 /nfs/dbraw/zinc/05/82/53/1290058253.db2.gz ADURGVOLPXXSRU-HZPDHXFCSA-N 2 1 370.538 0.384 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001739469716 1290058258 /nfs/dbraw/zinc/05/82/58/1290058258.db2.gz ADURGVOLPXXSRU-HZPDHXFCSA-N 2 1 370.538 0.384 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001739469716 1290058265 /nfs/dbraw/zinc/05/82/65/1290058265.db2.gz ADURGVOLPXXSRU-HZPDHXFCSA-N 2 1 370.538 0.384 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]3C2)CC[N@H+]1C ZINC001756203738 1290650749 /nfs/dbraw/zinc/65/07/49/1290650749.db2.gz TVDGRVRMRKTCAL-NNPSNHGLSA-N 2 1 364.534 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]3C2)CC[NH+]1C ZINC001756203738 1290650757 /nfs/dbraw/zinc/65/07/57/1290650757.db2.gz TVDGRVRMRKTCAL-NNPSNHGLSA-N 2 1 364.534 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)CC[NH+]1C ZINC001756203738 1290650762 /nfs/dbraw/zinc/65/07/62/1290650762.db2.gz TVDGRVRMRKTCAL-NNPSNHGLSA-N 2 1 364.534 0.878 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1OC ZINC001757148228 1290726483 /nfs/dbraw/zinc/72/64/83/1290726483.db2.gz FTFFIWMMCINXCV-MWDXBVQZSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1OC ZINC001757148228 1290726488 /nfs/dbraw/zinc/72/64/88/1290726488.db2.gz FTFFIWMMCINXCV-MWDXBVQZSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1OC ZINC001757148228 1290726498 /nfs/dbraw/zinc/72/64/98/1290726498.db2.gz FTFFIWMMCINXCV-MWDXBVQZSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001757247540 1290750791 /nfs/dbraw/zinc/75/07/91/1290750791.db2.gz PGCXXGXEHRCFRY-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001757478155 1290775622 /nfs/dbraw/zinc/77/56/22/1290775622.db2.gz ZNKPFCPYUOUDOL-SJORKVTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001757528665 1290781784 /nfs/dbraw/zinc/78/17/84/1290781784.db2.gz ZEDBGFUISSNSHE-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC001688679651 1294519325 /nfs/dbraw/zinc/51/93/25/1294519325.db2.gz NDYDXAKKCMNBRP-NVXWUHKLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001689035553 1294581101 /nfs/dbraw/zinc/58/11/01/1294581101.db2.gz BXHZVQXRHQWWOZ-RYQLBKOJSA-N 2 1 363.506 0.682 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001689313092 1294737839 /nfs/dbraw/zinc/73/78/39/1294737839.db2.gz WDDTYPWFTGOGNF-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001689313092 1294737846 /nfs/dbraw/zinc/73/78/46/1294737846.db2.gz WDDTYPWFTGOGNF-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC(=O)NC(=O)NC)C2CC2)CC[N@H+]1C ZINC001689990338 1294848732 /nfs/dbraw/zinc/84/87/32/1294848732.db2.gz QUIXOQHAOJUIIT-LSDHHAIUSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC(=O)NC(=O)NC)C2CC2)CC[NH+]1C ZINC001689990338 1294848744 /nfs/dbraw/zinc/84/87/44/1294848744.db2.gz QUIXOQHAOJUIIT-LSDHHAIUSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC(=O)NC(=O)NC)C2CC2)CC[NH+]1C ZINC001689990338 1294848757 /nfs/dbraw/zinc/84/87/57/1294848757.db2.gz QUIXOQHAOJUIIT-LSDHHAIUSA-N 2 1 367.494 0.143 20 0 FCADMP COc1coc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151629 1294860827 /nfs/dbraw/zinc/86/08/27/1294860827.db2.gz PLYRLCPMSYYRNM-DAXOMENPSA-N 2 1 363.458 0.973 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2cc(S(N)(=O)=O)ccn2)c2c1CC[NH2+]C2 ZINC001164680569 719644832 /nfs/dbraw/zinc/64/48/32/719644832.db2.gz WJEBHFBRCDYAMU-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(S(N)(=O)=O)ccn2)c2c1CC[NH2+]C2 ZINC001164680569 719644834 /nfs/dbraw/zinc/64/48/34/719644834.db2.gz WJEBHFBRCDYAMU-UHFFFAOYSA-N 2 1 364.475 0.401 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100284 837617458 /nfs/dbraw/zinc/61/74/58/837617458.db2.gz OASJDZRTHCQFRU-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100284 837617460 /nfs/dbraw/zinc/61/74/60/837617460.db2.gz OASJDZRTHCQFRU-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100284 837617462 /nfs/dbraw/zinc/61/74/62/837617462.db2.gz OASJDZRTHCQFRU-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100284 837617466 /nfs/dbraw/zinc/61/74/66/837617466.db2.gz OASJDZRTHCQFRU-OWCLPIDISA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217914 837635551 /nfs/dbraw/zinc/63/55/51/837635551.db2.gz YFXGCZUUSCRBIW-KFWWJZLASA-N 2 1 363.491 0.617 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070357607 837648974 /nfs/dbraw/zinc/64/89/74/837648974.db2.gz VZWFJZGMZCGRRR-IHRRRGAJSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070357607 837648976 /nfs/dbraw/zinc/64/89/76/837648976.db2.gz VZWFJZGMZCGRRR-IHRRRGAJSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070357607 837648980 /nfs/dbraw/zinc/64/89/80/837648980.db2.gz VZWFJZGMZCGRRR-IHRRRGAJSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070357607 837648982 /nfs/dbraw/zinc/64/89/82/837648982.db2.gz VZWFJZGMZCGRRR-IHRRRGAJSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070357607 837648985 /nfs/dbraw/zinc/64/89/85/837648985.db2.gz VZWFJZGMZCGRRR-IHRRRGAJSA-N 2 1 350.467 0.243 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001070354572 837649011 /nfs/dbraw/zinc/64/90/11/837649011.db2.gz PRTQAHJKTMUXOV-MQYQWHSLSA-N 2 1 350.467 0.243 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001070354572 837649015 /nfs/dbraw/zinc/64/90/15/837649015.db2.gz PRTQAHJKTMUXOV-MQYQWHSLSA-N 2 1 350.467 0.243 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070354572 837649019 /nfs/dbraw/zinc/64/90/19/837649019.db2.gz PRTQAHJKTMUXOV-MQYQWHSLSA-N 2 1 350.467 0.243 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001070354572 837649020 /nfs/dbraw/zinc/64/90/20/837649020.db2.gz PRTQAHJKTMUXOV-MQYQWHSLSA-N 2 1 350.467 0.243 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001070354572 837649024 /nfs/dbraw/zinc/64/90/24/837649024.db2.gz PRTQAHJKTMUXOV-MQYQWHSLSA-N 2 1 350.467 0.243 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCOC2CCC2)C3)O1 ZINC001072850257 837745389 /nfs/dbraw/zinc/74/53/89/837745389.db2.gz TXEVVDJPHNRNRQ-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CCOC2CCC2)C3)O1 ZINC001072850257 837745392 /nfs/dbraw/zinc/74/53/92/837745392.db2.gz TXEVVDJPHNRNRQ-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CCOC2CCC2)C3)O1 ZINC001072850257 837745400 /nfs/dbraw/zinc/74/54/00/837745400.db2.gz TXEVVDJPHNRNRQ-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCOC2CCC2)C3)O1 ZINC001072850257 837745408 /nfs/dbraw/zinc/74/54/08/837745408.db2.gz TXEVVDJPHNRNRQ-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001099316785 844019711 /nfs/dbraw/zinc/01/97/11/844019711.db2.gz FJGBAMTYNHUTFI-YNEHKIRRSA-N 2 1 364.412 0.715 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001100343827 844051986 /nfs/dbraw/zinc/05/19/86/844051986.db2.gz VNMHWSDLTXOEFG-BLYZHGLHSA-N 2 1 365.503 0.906 20 0 FCADMP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379656525 836049603 /nfs/dbraw/zinc/04/96/03/836049603.db2.gz PKHXBOWEZHQEAZ-DOTOQJQBSA-N 2 1 352.504 0.779 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000382757023 836051174 /nfs/dbraw/zinc/05/11/74/836051174.db2.gz PZOFTOSLBGGCMQ-INIZCTEOSA-N 2 1 352.504 0.733 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC000745828927 836154124 /nfs/dbraw/zinc/15/41/24/836154124.db2.gz BESOHWMLTAYMPO-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345219 844153875 /nfs/dbraw/zinc/15/38/75/844153875.db2.gz ZOPPPIHTNWSJCU-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363499 844159644 /nfs/dbraw/zinc/15/96/44/844159644.db2.gz WLLNDZLJYCIMAS-LMMKCTJWSA-N 2 1 355.523 0.896 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368659 844163112 /nfs/dbraw/zinc/16/31/12/844163112.db2.gz GNCBNSJXOCBQSF-GJYPPUQNSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368659 844163119 /nfs/dbraw/zinc/16/31/19/844163119.db2.gz GNCBNSJXOCBQSF-GJYPPUQNSA-N 2 1 355.523 0.752 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368659 844163126 /nfs/dbraw/zinc/16/31/26/844163126.db2.gz GNCBNSJXOCBQSF-GJYPPUQNSA-N 2 1 355.523 0.752 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101382701 844168153 /nfs/dbraw/zinc/16/81/53/844168153.db2.gz SMZOZOWXTUYTAY-MJGOQNOKSA-N 2 1 353.507 0.508 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC3CCOCC3)C[C@@]2(C)C1 ZINC001101432722 844185610 /nfs/dbraw/zinc/18/56/10/844185610.db2.gz YATVLJNPHGOVRC-MJGOQNOKSA-N 2 1 353.507 0.772 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101435249 844185753 /nfs/dbraw/zinc/18/57/53/844185753.db2.gz FSBOMBLSGCAKRK-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101440847 844186915 /nfs/dbraw/zinc/18/69/15/844186915.db2.gz XLCYRYDCWGLGGL-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101440847 844186919 /nfs/dbraw/zinc/18/69/19/844186919.db2.gz XLCYRYDCWGLGGL-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101440847 844186924 /nfs/dbraw/zinc/18/69/24/844186924.db2.gz XLCYRYDCWGLGGL-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460649 844193619 /nfs/dbraw/zinc/19/36/19/844193619.db2.gz POZQTCBVFPHCTC-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460649 844193621 /nfs/dbraw/zinc/19/36/21/844193621.db2.gz POZQTCBVFPHCTC-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460649 844193625 /nfs/dbraw/zinc/19/36/25/844193625.db2.gz POZQTCBVFPHCTC-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460649 844193628 /nfs/dbraw/zinc/19/36/28/844193628.db2.gz POZQTCBVFPHCTC-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469212 844197631 /nfs/dbraw/zinc/19/76/31/844197631.db2.gz GQBTUZGLBBWMPU-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469212 844197636 /nfs/dbraw/zinc/19/76/36/844197636.db2.gz GQBTUZGLBBWMPU-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469212 844197643 /nfs/dbraw/zinc/19/76/43/844197643.db2.gz GQBTUZGLBBWMPU-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469212 844197646 /nfs/dbraw/zinc/19/76/46/844197646.db2.gz GQBTUZGLBBWMPU-AOIWGVFYSA-N 2 1 353.507 0.914 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474414 844199066 /nfs/dbraw/zinc/19/90/66/844199066.db2.gz YEGQIWQTLGDEPU-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474274 844199211 /nfs/dbraw/zinc/19/92/11/844199211.db2.gz QQKCVHZGGKCPTL-GJYPPUQNSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCC[NH+](C)C)CCC2)O1 ZINC001063497492 836773112 /nfs/dbraw/zinc/77/31/12/836773112.db2.gz TYWJUKIZEGUMDB-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCC[NH+](C)C)CCC2)O1 ZINC001063497492 836773117 /nfs/dbraw/zinc/77/31/17/836773117.db2.gz TYWJUKIZEGUMDB-HUUCEWRRSA-N 2 1 354.495 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001065409607 836838000 /nfs/dbraw/zinc/83/80/00/836838000.db2.gz LVNTZSSYPYTQDR-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065409607 836838006 /nfs/dbraw/zinc/83/80/06/836838006.db2.gz LVNTZSSYPYTQDR-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065409607 836838014 /nfs/dbraw/zinc/83/80/14/836838014.db2.gz LVNTZSSYPYTQDR-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001076253187 837976180 /nfs/dbraw/zinc/97/61/80/837976180.db2.gz COXJBPLMBGAYQV-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001076253187 837976189 /nfs/dbraw/zinc/97/61/89/837976189.db2.gz COXJBPLMBGAYQV-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324470 837982583 /nfs/dbraw/zinc/98/25/83/837982583.db2.gz UMCSEAKSYSVRRT-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324470 837982605 /nfs/dbraw/zinc/98/26/05/837982605.db2.gz UMCSEAKSYSVRRT-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076407412 837997186 /nfs/dbraw/zinc/99/71/86/837997186.db2.gz CKOYSKUEBQEYCA-SOLBZPMBSA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001076418658 837999120 /nfs/dbraw/zinc/99/91/20/837999120.db2.gz IXUTXQFTKDAEQL-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001076418658 837999132 /nfs/dbraw/zinc/99/91/32/837999132.db2.gz IXUTXQFTKDAEQL-DLBZAZTESA-N 2 1 350.507 0.728 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838915 838128573 /nfs/dbraw/zinc/12/85/73/838128573.db2.gz SEKNTMHBBIOSJW-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838915 838128577 /nfs/dbraw/zinc/12/85/77/838128577.db2.gz SEKNTMHBBIOSJW-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838915 838128581 /nfs/dbraw/zinc/12/85/81/838128581.db2.gz SEKNTMHBBIOSJW-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838915 838128585 /nfs/dbraw/zinc/12/85/85/838128585.db2.gz SEKNTMHBBIOSJW-BRWVUGGUSA-N 2 1 351.491 0.449 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974769 844357278 /nfs/dbraw/zinc/35/72/78/844357278.db2.gz PHRIVUKSMYFTQP-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982808 844360232 /nfs/dbraw/zinc/36/02/32/844360232.db2.gz KFHWSHJYYYUZJI-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982808 844360243 /nfs/dbraw/zinc/36/02/43/844360243.db2.gz KFHWSHJYYYUZJI-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982808 844360254 /nfs/dbraw/zinc/36/02/54/844360254.db2.gz KFHWSHJYYYUZJI-KLHDSHLOSA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976141 844357834 /nfs/dbraw/zinc/35/78/34/844357834.db2.gz KRSDQCZCYDXHBV-DJIMGWMZSA-N 2 1 371.547 0.447 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440752 838968140 /nfs/dbraw/zinc/96/81/40/838968140.db2.gz UCGAACFPQHJAHA-BRWVUGGUSA-N 2 1 364.515 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440752 838968151 /nfs/dbraw/zinc/96/81/51/838968151.db2.gz UCGAACFPQHJAHA-BRWVUGGUSA-N 2 1 364.515 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440753 838968531 /nfs/dbraw/zinc/96/85/31/838968531.db2.gz UCGAACFPQHJAHA-ZACQAIPSSA-N 2 1 364.515 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440753 838968539 /nfs/dbraw/zinc/96/85/39/838968539.db2.gz UCGAACFPQHJAHA-ZACQAIPSSA-N 2 1 364.515 0.721 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044963 844394429 /nfs/dbraw/zinc/39/44/29/844394429.db2.gz MBMYNZPGBZHAEG-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047605 844394873 /nfs/dbraw/zinc/39/48/73/844394873.db2.gz MUCUCBKUPLGQRD-QGPMSJSTSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048614 844395903 /nfs/dbraw/zinc/39/59/03/844395903.db2.gz ILZUTKUSXFVXNQ-KBRIMQKVSA-N 2 1 350.507 0.537 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001077618748 839072905 /nfs/dbraw/zinc/07/29/05/839072905.db2.gz RVDLJDHNKNHVJS-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059447 844399613 /nfs/dbraw/zinc/39/96/13/844399613.db2.gz PPBIKEYJPAJQOH-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059447 844399620 /nfs/dbraw/zinc/39/96/20/844399620.db2.gz PPBIKEYJPAJQOH-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059447 844399627 /nfs/dbraw/zinc/39/96/27/844399627.db2.gz PPBIKEYJPAJQOH-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675299 839101492 /nfs/dbraw/zinc/10/14/92/839101492.db2.gz IESAIVGINYECSP-NWANDNLSSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675299 839101502 /nfs/dbraw/zinc/10/15/02/839101502.db2.gz IESAIVGINYECSP-NWANDNLSSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675299 839101517 /nfs/dbraw/zinc/10/15/17/839101517.db2.gz IESAIVGINYECSP-NWANDNLSSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675299 839101525 /nfs/dbraw/zinc/10/15/25/839101525.db2.gz IESAIVGINYECSP-NWANDNLSSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778284 839152054 /nfs/dbraw/zinc/15/20/54/839152054.db2.gz ASGOYLCVJQSUPL-HZPDHXFCSA-N 2 1 366.531 0.887 20 0 FCADMP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102081136 844407769 /nfs/dbraw/zinc/40/77/69/844407769.db2.gz MRGRSMMNVRREOC-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102081136 844407772 /nfs/dbraw/zinc/40/77/72/844407772.db2.gz MRGRSMMNVRREOC-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001102081136 844407776 /nfs/dbraw/zinc/40/77/76/844407776.db2.gz MRGRSMMNVRREOC-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001102081136 844407777 /nfs/dbraw/zinc/40/77/77/844407777.db2.gz MRGRSMMNVRREOC-JOCBIADPSA-N 2 1 353.507 0.816 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102089986 844409279 /nfs/dbraw/zinc/40/92/79/844409279.db2.gz WMYNCYRSGXPCBP-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001102089986 844409281 /nfs/dbraw/zinc/40/92/81/844409281.db2.gz WMYNCYRSGXPCBP-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001102089986 844409282 /nfs/dbraw/zinc/40/92/82/844409282.db2.gz WMYNCYRSGXPCBP-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001077892603 839210177 /nfs/dbraw/zinc/21/01/77/839210177.db2.gz AGIUSNYOSWNHQN-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)C1CCC1 ZINC001077892603 839210191 /nfs/dbraw/zinc/21/01/91/839210191.db2.gz AGIUSNYOSWNHQN-KURKYZTESA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119261 844423188 /nfs/dbraw/zinc/42/31/88/844423188.db2.gz CXGXQMUWHDBQSP-HZPDHXFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205982 839402083 /nfs/dbraw/zinc/40/20/83/839402083.db2.gz KXJHEVZPRNYVME-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205982 839402091 /nfs/dbraw/zinc/40/20/91/839402091.db2.gz KXJHEVZPRNYVME-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205982 839402098 /nfs/dbraw/zinc/40/20/98/839402098.db2.gz KXJHEVZPRNYVME-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001078205982 839402103 /nfs/dbraw/zinc/40/21/03/839402103.db2.gz KXJHEVZPRNYVME-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001078418738 839460881 /nfs/dbraw/zinc/46/08/81/839460881.db2.gz VNMFMJLBXFUZMF-IJEWVQPXSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cncs3)C2)O1 ZINC001078418738 839460888 /nfs/dbraw/zinc/46/08/88/839460888.db2.gz VNMFMJLBXFUZMF-IJEWVQPXSA-N 2 1 368.503 0.569 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079289194 839504561 /nfs/dbraw/zinc/50/45/61/839504561.db2.gz SYEWHHGXMQJHDW-USXIJHARSA-N 2 1 351.422 0.033 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCO)C2)C1 ZINC001079289194 839504568 /nfs/dbraw/zinc/50/45/68/839504568.db2.gz SYEWHHGXMQJHDW-USXIJHARSA-N 2 1 351.422 0.033 20 0 FCADMP C[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526930 839542910 /nfs/dbraw/zinc/54/29/10/839542910.db2.gz XGDPBQFQQCLWER-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526930 839542915 /nfs/dbraw/zinc/54/29/15/839542915.db2.gz XGDPBQFQQCLWER-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526930 839542920 /nfs/dbraw/zinc/54/29/20/839542920.db2.gz XGDPBQFQQCLWER-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526930 839542925 /nfs/dbraw/zinc/54/29/25/839542925.db2.gz XGDPBQFQQCLWER-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2C)CC[N@H+]1C ZINC001079732280 839583249 /nfs/dbraw/zinc/58/32/49/839583249.db2.gz IUCBRGMZAMPXBA-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732280 839583255 /nfs/dbraw/zinc/58/32/55/839583255.db2.gz IUCBRGMZAMPXBA-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732280 839583263 /nfs/dbraw/zinc/58/32/63/839583263.db2.gz IUCBRGMZAMPXBA-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804804 839595992 /nfs/dbraw/zinc/59/59/92/839595992.db2.gz DXOIBXVLNUSENV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804804 839595999 /nfs/dbraw/zinc/59/59/99/839595999.db2.gz DXOIBXVLNUSENV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804804 839596003 /nfs/dbraw/zinc/59/60/03/839596003.db2.gz DXOIBXVLNUSENV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079804804 839596006 /nfs/dbraw/zinc/59/60/06/839596006.db2.gz DXOIBXVLNUSENV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264765 844454028 /nfs/dbraw/zinc/45/40/28/844454028.db2.gz YNNSOZWRNNBPJQ-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264765 844454035 /nfs/dbraw/zinc/45/40/35/844454035.db2.gz YNNSOZWRNNBPJQ-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2C)C1 ZINC001102264765 844454042 /nfs/dbraw/zinc/45/40/42/844454042.db2.gz YNNSOZWRNNBPJQ-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102264544 844454307 /nfs/dbraw/zinc/45/43/07/844454307.db2.gz OUFFBQLODBFZAT-KZNAEPCWSA-N 2 1 355.523 0.801 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001102264544 844454310 /nfs/dbraw/zinc/45/43/10/844454310.db2.gz OUFFBQLODBFZAT-KZNAEPCWSA-N 2 1 355.523 0.801 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001102264544 844454313 /nfs/dbraw/zinc/45/43/13/844454313.db2.gz OUFFBQLODBFZAT-KZNAEPCWSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102294456 844459631 /nfs/dbraw/zinc/45/96/31/844459631.db2.gz ZARKKDIDVYFZJE-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290622 844459807 /nfs/dbraw/zinc/45/98/07/844459807.db2.gz MNUQEHKPFKYRFZ-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290622 844459812 /nfs/dbraw/zinc/45/98/12/844459812.db2.gz MNUQEHKPFKYRFZ-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294120 844459864 /nfs/dbraw/zinc/45/98/64/844459864.db2.gz KOXKLPZPCKMPFU-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314571 844464495 /nfs/dbraw/zinc/46/44/95/844464495.db2.gz PSHOGBTVXJETQS-ZIAGYGMSSA-N 2 1 351.499 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314571 844464499 /nfs/dbraw/zinc/46/44/99/844464499.db2.gz PSHOGBTVXJETQS-ZIAGYGMSSA-N 2 1 351.499 0.564 20 0 FCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382676 839714849 /nfs/dbraw/zinc/71/48/49/839714849.db2.gz YFSVRELMGRAFRV-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382676 839714858 /nfs/dbraw/zinc/71/48/58/839714858.db2.gz YFSVRELMGRAFRV-BFYDXBDKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320502 844466666 /nfs/dbraw/zinc/46/66/66/844466666.db2.gz FTDDKGRCGWWGFA-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779700 839797709 /nfs/dbraw/zinc/79/77/09/839797709.db2.gz YFFXMDZCOBVVJQ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779700 839797717 /nfs/dbraw/zinc/79/77/17/839797717.db2.gz YFFXMDZCOBVVJQ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779700 839797721 /nfs/dbraw/zinc/79/77/21/839797721.db2.gz YFFXMDZCOBVVJQ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779700 839797725 /nfs/dbraw/zinc/79/77/25/839797725.db2.gz YFFXMDZCOBVVJQ-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375363 844479398 /nfs/dbraw/zinc/47/93/98/844479398.db2.gz FCBBIUCMMBOJRH-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375363 844479400 /nfs/dbraw/zinc/47/94/00/844479400.db2.gz FCBBIUCMMBOJRH-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375363 844479404 /nfs/dbraw/zinc/47/94/04/844479404.db2.gz FCBBIUCMMBOJRH-HZPDHXFCSA-N 2 1 352.523 0.929 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670309 839994815 /nfs/dbraw/zinc/99/48/15/839994815.db2.gz NLPAOEOLTLPETA-RCCFBDPRSA-N 2 1 351.491 0.713 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468647 844509584 /nfs/dbraw/zinc/50/95/84/844509584.db2.gz SCWVPMASTNXDAS-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468647 844509594 /nfs/dbraw/zinc/50/95/94/844509594.db2.gz SCWVPMASTNXDAS-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201241 840236002 /nfs/dbraw/zinc/23/60/02/840236002.db2.gz REZGWHQRSVSBSB-FVQBIDKESA-N 2 1 354.495 0.010 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201241 840236009 /nfs/dbraw/zinc/23/60/09/840236009.db2.gz REZGWHQRSVSBSB-FVQBIDKESA-N 2 1 354.495 0.010 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496445 844531367 /nfs/dbraw/zinc/53/13/67/844531367.db2.gz WEWHFFWMULSHDJ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496445 844531378 /nfs/dbraw/zinc/53/13/78/844531378.db2.gz WEWHFFWMULSHDJ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496445 844531386 /nfs/dbraw/zinc/53/13/86/844531386.db2.gz WEWHFFWMULSHDJ-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)CS(C)(=O)=O ZINC001102514481 844546259 /nfs/dbraw/zinc/54/62/59/844546259.db2.gz YQYDWTCSZWKXPU-BZUAXINKSA-N 2 1 371.547 0.447 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[NH+](C)C ZINC001082588991 840477499 /nfs/dbraw/zinc/47/74/99/840477499.db2.gz BKMBTPIRRCGNSR-MGPQQGTHSA-N 2 1 350.467 0.085 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCc1ccns1 ZINC001082590505 840479310 /nfs/dbraw/zinc/47/93/10/840479310.db2.gz ZQLKXXIZXMKHFB-RRCSTGOVSA-N 2 1 352.504 0.841 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCc1ccns1 ZINC001082590505 840479316 /nfs/dbraw/zinc/47/93/16/840479316.db2.gz ZQLKXXIZXMKHFB-RRCSTGOVSA-N 2 1 352.504 0.841 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082724718 840537888 /nfs/dbraw/zinc/53/78/88/840537888.db2.gz DGSPBXXKUPYYKR-IIAWOOMASA-N 2 1 351.499 0.606 20 0 FCADMP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102524739 844551563 /nfs/dbraw/zinc/55/15/63/844551563.db2.gz UHESPADFJKDRMT-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102524739 844551568 /nfs/dbraw/zinc/55/15/68/844551568.db2.gz UHESPADFJKDRMT-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102524739 844551576 /nfs/dbraw/zinc/55/15/76/844551576.db2.gz UHESPADFJKDRMT-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2nnnn2C)C[C@H]1C ZINC001102524739 844551580 /nfs/dbraw/zinc/55/15/80/844551580.db2.gz UHESPADFJKDRMT-QLFBSQMISA-N 2 1 351.499 0.687 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082920874 840602191 /nfs/dbraw/zinc/60/21/91/840602191.db2.gz JRDJXDNIBIQPJM-UMVBOHGHSA-N 2 1 369.487 0.571 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001082922172 840604009 /nfs/dbraw/zinc/60/40/09/840604009.db2.gz NJDPCJUWOKWQBF-BPLDGKMQSA-N 2 1 354.476 0.063 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244750 840827917 /nfs/dbraw/zinc/82/79/17/840827917.db2.gz IISZRUALNOABMT-FHLIZLRMSA-N 2 1 351.491 0.401 20 0 FCADMP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244751 840828539 /nfs/dbraw/zinc/82/85/39/840828539.db2.gz IISZRUALNOABMT-JCGIZDLHSA-N 2 1 351.491 0.401 20 0 FCADMP CC(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275922 840858143 /nfs/dbraw/zinc/85/81/43/840858143.db2.gz CPPXEBDXNAWRBU-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275922 840858149 /nfs/dbraw/zinc/85/81/49/840858149.db2.gz CPPXEBDXNAWRBU-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083276108 840859540 /nfs/dbraw/zinc/85/95/40/840859540.db2.gz MTIMVRJUUCXDAV-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083276108 840859552 /nfs/dbraw/zinc/85/95/52/840859552.db2.gz MTIMVRJUUCXDAV-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596425 844586817 /nfs/dbraw/zinc/58/68/17/844586817.db2.gz FJJWGJOVNNARHH-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600615 844591810 /nfs/dbraw/zinc/59/18/10/844591810.db2.gz MYGPDVCOWXFYGP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600615 844591815 /nfs/dbraw/zinc/59/18/15/844591815.db2.gz MYGPDVCOWXFYGP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600615 844591820 /nfs/dbraw/zinc/59/18/20/844591820.db2.gz MYGPDVCOWXFYGP-BRWVUGGUSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083506297 841093935 /nfs/dbraw/zinc/09/39/35/841093935.db2.gz ZWADZIHCBYYCPI-PMPSAXMXSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001083506297 841093945 /nfs/dbraw/zinc/09/39/45/841093945.db2.gz ZWADZIHCBYYCPI-PMPSAXMXSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083506297 841093954 /nfs/dbraw/zinc/09/39/54/841093954.db2.gz ZWADZIHCBYYCPI-PMPSAXMXSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083506297 841093962 /nfs/dbraw/zinc/09/39/62/841093962.db2.gz ZWADZIHCBYYCPI-PMPSAXMXSA-N 2 1 352.504 0.721 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522252 841119669 /nfs/dbraw/zinc/11/96/69/841119669.db2.gz ZNRHKHBQDYSMEG-NXHRZFHOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522252 841119673 /nfs/dbraw/zinc/11/96/73/841119673.db2.gz ZNRHKHBQDYSMEG-NXHRZFHOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083522252 841119677 /nfs/dbraw/zinc/11/96/77/841119677.db2.gz ZNRHKHBQDYSMEG-NXHRZFHOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083594330 841213625 /nfs/dbraw/zinc/21/36/25/841213625.db2.gz WGWACNNEASJPTM-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001083594330 841213634 /nfs/dbraw/zinc/21/36/34/841213634.db2.gz WGWACNNEASJPTM-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083594330 841213645 /nfs/dbraw/zinc/21/36/45/841213645.db2.gz WGWACNNEASJPTM-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083594330 841213657 /nfs/dbraw/zinc/21/36/57/841213657.db2.gz WGWACNNEASJPTM-SQNIBIBYSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083749587 841391559 /nfs/dbraw/zinc/39/15/59/841391559.db2.gz HOKNOBVDQBGBHV-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958830 841604199 /nfs/dbraw/zinc/60/41/99/841604199.db2.gz YCXQQIFDSBNKBF-IKGGRYGDSA-N 2 1 351.491 0.185 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833469 861219973 /nfs/dbraw/zinc/21/99/73/861219973.db2.gz IMZUSWPMEDKVRZ-IBGZPJMESA-N 3 1 352.523 0.583 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001084059718 841672613 /nfs/dbraw/zinc/67/26/13/841672613.db2.gz VXWNDNLGOGWRQT-IKGGRYGDSA-N 2 1 350.463 0.294 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001084059718 841672620 /nfs/dbraw/zinc/67/26/20/841672620.db2.gz VXWNDNLGOGWRQT-IKGGRYGDSA-N 2 1 350.463 0.294 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403570 841788407 /nfs/dbraw/zinc/78/84/07/841788407.db2.gz ZOGWKFXJORMRBI-IXDOHACOSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403570 841788409 /nfs/dbraw/zinc/78/84/09/841788409.db2.gz ZOGWKFXJORMRBI-IXDOHACOSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403570 841788437 /nfs/dbraw/zinc/78/84/37/841788437.db2.gz ZOGWKFXJORMRBI-IXDOHACOSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC001084403570 841788443 /nfs/dbraw/zinc/78/84/43/841788443.db2.gz ZOGWKFXJORMRBI-IXDOHACOSA-N 2 1 350.507 0.585 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21)[NH+](C)C ZINC001084638521 841871885 /nfs/dbraw/zinc/87/18/85/841871885.db2.gz GKLTTWDCLVEFOZ-QGPMSJSTSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21)[NH+](C)C ZINC001084638521 841871892 /nfs/dbraw/zinc/87/18/92/841871892.db2.gz GKLTTWDCLVEFOZ-QGPMSJSTSA-N 2 1 350.507 0.726 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001084639522 841872179 /nfs/dbraw/zinc/87/21/79/841872179.db2.gz WEOPQZBIUHUSLL-BZUAXINKSA-N 2 1 351.495 0.131 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001084639522 841872188 /nfs/dbraw/zinc/87/21/88/841872188.db2.gz WEOPQZBIUHUSLL-BZUAXINKSA-N 2 1 351.495 0.131 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275880145 861246179 /nfs/dbraw/zinc/24/61/79/861246179.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 2 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275880145 861246188 /nfs/dbraw/zinc/24/61/88/861246188.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275880145 861246199 /nfs/dbraw/zinc/24/61/99/861246199.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275880145 861246210 /nfs/dbraw/zinc/24/62/10/861246210.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275880145 861246217 /nfs/dbraw/zinc/24/62/17/861246217.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 3 1 352.523 0.441 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957696 841970083 /nfs/dbraw/zinc/97/00/83/841970083.db2.gz QTGHDMQLFNJPEV-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957696 841970089 /nfs/dbraw/zinc/97/00/89/841970089.db2.gz QTGHDMQLFNJPEV-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957696 841970097 /nfs/dbraw/zinc/97/00/97/841970097.db2.gz QTGHDMQLFNJPEV-ZACQAIPSSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049519 841998353 /nfs/dbraw/zinc/99/83/53/841998353.db2.gz HELUXHHYTJHXIS-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049519 841998357 /nfs/dbraw/zinc/99/83/57/841998357.db2.gz HELUXHHYTJHXIS-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085332539 842078890 /nfs/dbraw/zinc/07/88/90/842078890.db2.gz BRYJBRDYFYWEFE-BZUAXINKSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085332295 842079048 /nfs/dbraw/zinc/07/90/48/842079048.db2.gz RNNQFEPBRXMNEK-ARFHVFGLSA-N 2 1 351.495 0.513 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@H+]1C ZINC001085606418 842107869 /nfs/dbraw/zinc/10/78/69/842107869.db2.gz MJPZNLYCXAKSHJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001085606418 842107872 /nfs/dbraw/zinc/10/78/72/842107872.db2.gz MJPZNLYCXAKSHJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001085606418 842107875 /nfs/dbraw/zinc/10/78/75/842107875.db2.gz MJPZNLYCXAKSHJ-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601635 842108139 /nfs/dbraw/zinc/10/81/39/842108139.db2.gz CGNRJHKDRXYZFU-KURKYZTESA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001086091206 842120654 /nfs/dbraw/zinc/12/06/54/842120654.db2.gz NSYANTALYHTHAG-XUWVNRHRSA-N 2 1 351.495 0.226 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001086371057 842128237 /nfs/dbraw/zinc/12/82/37/842128237.db2.gz NSYANTALYHTHAG-YHUYYLMFSA-N 2 1 351.495 0.226 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC[N@H+]1C ZINC001086370819 842128778 /nfs/dbraw/zinc/12/87/78/842128778.db2.gz APOTUOQVYICSHN-SMLCLMEVSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCc3ccns3)C2)O1 ZINC001086400370 842131249 /nfs/dbraw/zinc/13/12/49/842131249.db2.gz DRSBIYFRDKUOLZ-IXYNUQLISA-N 2 1 352.504 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCc3ccns3)C2)O1 ZINC001086400370 842131251 /nfs/dbraw/zinc/13/12/51/842131251.db2.gz DRSBIYFRDKUOLZ-IXYNUQLISA-N 2 1 352.504 0.889 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001086784953 842173245 /nfs/dbraw/zinc/17/32/45/842173245.db2.gz CRBUJFJUYJXCMO-SQWLQELKSA-N 2 1 351.451 0.553 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087035120 842231532 /nfs/dbraw/zinc/23/15/32/842231532.db2.gz MMCSYYZCFDAYLB-VHDGCEQUSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087035120 842231540 /nfs/dbraw/zinc/23/15/40/842231540.db2.gz MMCSYYZCFDAYLB-VHDGCEQUSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087035119 842232752 /nfs/dbraw/zinc/23/27/52/842232752.db2.gz MMCSYYZCFDAYLB-BPLDGKMQSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087035119 842232761 /nfs/dbraw/zinc/23/27/61/842232761.db2.gz MMCSYYZCFDAYLB-BPLDGKMQSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087063128 842259092 /nfs/dbraw/zinc/25/90/92/842259092.db2.gz JLUUIGSSADYOAF-VNQPRFMTSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087063128 842259101 /nfs/dbraw/zinc/25/91/01/842259101.db2.gz JLUUIGSSADYOAF-VNQPRFMTSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087066644 842261980 /nfs/dbraw/zinc/26/19/80/842261980.db2.gz MSEBRRGXTBVDPH-BRWVUGGUSA-N 2 1 350.463 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]C(C)C ZINC001087067444 842263269 /nfs/dbraw/zinc/26/32/69/842263269.db2.gz CBXUMQPXDSEZHG-RVKOJVRFSA-N 2 1 351.491 0.711 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083358 842275816 /nfs/dbraw/zinc/27/58/16/842275816.db2.gz ASUUQXKLBCKCFQ-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083358 842275824 /nfs/dbraw/zinc/27/58/24/842275824.db2.gz ASUUQXKLBCKCFQ-SQWLQELKSA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087096645 842287256 /nfs/dbraw/zinc/28/72/56/842287256.db2.gz WCWDVDIDFQZUBX-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087096645 842287276 /nfs/dbraw/zinc/28/72/76/842287276.db2.gz WCWDVDIDFQZUBX-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087101010 842288874 /nfs/dbraw/zinc/28/88/74/842288874.db2.gz PBCADUSCCIAOLF-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087101075 842289540 /nfs/dbraw/zinc/28/95/40/842289540.db2.gz RVGFHFNCXLUPFD-RBSFLKMASA-N 2 1 351.451 0.283 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087101075 842289545 /nfs/dbraw/zinc/28/95/45/842289545.db2.gz RVGFHFNCXLUPFD-RBSFLKMASA-N 2 1 351.451 0.283 20 0 FCADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087175574 842308158 /nfs/dbraw/zinc/30/81/58/842308158.db2.gz VFNDZSKTGFERAW-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CCCO ZINC001087601294 842372388 /nfs/dbraw/zinc/37/23/88/842372388.db2.gz KMWBCRMGZNQJMC-KSZLIROESA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CCCO ZINC001087601294 842372401 /nfs/dbraw/zinc/37/24/01/842372401.db2.gz KMWBCRMGZNQJMC-KSZLIROESA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CCCO ZINC001087601294 842372416 /nfs/dbraw/zinc/37/24/16/842372416.db2.gz KMWBCRMGZNQJMC-KSZLIROESA-N 2 1 353.507 0.981 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087796636 842433563 /nfs/dbraw/zinc/43/35/63/842433563.db2.gz IHZBOXAHRFMKBR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087796636 842433568 /nfs/dbraw/zinc/43/35/68/842433568.db2.gz IHZBOXAHRFMKBR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087796636 842433575 /nfs/dbraw/zinc/43/35/75/842433575.db2.gz IHZBOXAHRFMKBR-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCCN1CCCC1=O ZINC001087828769 842442742 /nfs/dbraw/zinc/44/27/42/842442742.db2.gz VDYXADOQLPSSSY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001087828769 842442743 /nfs/dbraw/zinc/44/27/43/842442743.db2.gz VDYXADOQLPSSSY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001087828769 842442745 /nfs/dbraw/zinc/44/27/45/842442745.db2.gz VDYXADOQLPSSSY-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992727 842494814 /nfs/dbraw/zinc/49/48/14/842494814.db2.gz IOXYWROFPDMVFU-XHSDSOJGSA-N 2 1 350.507 0.728 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064155 842521568 /nfs/dbraw/zinc/52/15/68/842521568.db2.gz OTQHKPCYFCSUBG-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109510 842534083 /nfs/dbraw/zinc/53/40/83/842534083.db2.gz JNZRHBLLMOPFKS-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CO[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153724 842546843 /nfs/dbraw/zinc/54/68/43/842546843.db2.gz HXUFSSBWLDSCTK-ZACQAIPSSA-N 2 1 353.507 0.912 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170656 842550550 /nfs/dbraw/zinc/55/05/50/842550550.db2.gz ZZAOPPLTBQVJBB-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170656 842550558 /nfs/dbraw/zinc/55/05/58/842550558.db2.gz ZZAOPPLTBQVJBB-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170656 842550564 /nfs/dbraw/zinc/55/05/64/842550564.db2.gz ZZAOPPLTBQVJBB-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001088170656 842550569 /nfs/dbraw/zinc/55/05/69/842550569.db2.gz ZZAOPPLTBQVJBB-OAGGEKHMSA-N 2 1 357.520 0.153 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811066 842684120 /nfs/dbraw/zinc/68/41/20/842684120.db2.gz JPRMUQXQINXNIC-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811066 842684124 /nfs/dbraw/zinc/68/41/24/842684124.db2.gz JPRMUQXQINXNIC-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811066 842684129 /nfs/dbraw/zinc/68/41/29/842684129.db2.gz JPRMUQXQINXNIC-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001088811066 842684133 /nfs/dbraw/zinc/68/41/33/842684133.db2.gz JPRMUQXQINXNIC-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001088835758 842690693 /nfs/dbraw/zinc/69/06/93/842690693.db2.gz NBLHTUOTZJAZTD-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001088835758 842690697 /nfs/dbraw/zinc/69/06/97/842690697.db2.gz NBLHTUOTZJAZTD-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001088857978 842698143 /nfs/dbraw/zinc/69/81/43/842698143.db2.gz LJRCLOGACUDGQK-INMHGKMJSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001088857978 842698146 /nfs/dbraw/zinc/69/81/46/842698146.db2.gz LJRCLOGACUDGQK-INMHGKMJSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001088857978 842698152 /nfs/dbraw/zinc/69/81/52/842698152.db2.gz LJRCLOGACUDGQK-INMHGKMJSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001088857978 842698156 /nfs/dbraw/zinc/69/81/56/842698156.db2.gz LJRCLOGACUDGQK-INMHGKMJSA-N 2 1 371.547 0.875 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088899002 842709634 /nfs/dbraw/zinc/70/96/34/842709634.db2.gz GZIWTQHJQUUORM-PBHICJAKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088899002 842709642 /nfs/dbraw/zinc/70/96/42/842709642.db2.gz GZIWTQHJQUUORM-PBHICJAKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC(=O)N(C)C ZINC001088971385 842730854 /nfs/dbraw/zinc/73/08/54/842730854.db2.gz NBESWDJASZMALM-PBHICJAKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC(=O)N(C)C ZINC001088971385 842730858 /nfs/dbraw/zinc/73/08/58/842730858.db2.gz NBESWDJASZMALM-PBHICJAKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088981009 842734583 /nfs/dbraw/zinc/73/45/83/842734583.db2.gz YXMPKRPZVDRTIH-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088981009 842734590 /nfs/dbraw/zinc/73/45/90/842734590.db2.gz YXMPKRPZVDRTIH-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088981009 842734597 /nfs/dbraw/zinc/73/45/97/842734597.db2.gz YXMPKRPZVDRTIH-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088981009 842734607 /nfs/dbraw/zinc/73/46/07/842734607.db2.gz YXMPKRPZVDRTIH-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091683197 843072425 /nfs/dbraw/zinc/07/24/25/843072425.db2.gz JBTWQKGZZRUUNX-ANQUJSFKSA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091683197 843072437 /nfs/dbraw/zinc/07/24/37/843072437.db2.gz JBTWQKGZZRUUNX-ANQUJSFKSA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683197 843072449 /nfs/dbraw/zinc/07/24/49/843072449.db2.gz JBTWQKGZZRUUNX-ANQUJSFKSA-N 2 1 357.520 0.152 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683197 843072461 /nfs/dbraw/zinc/07/24/61/843072461.db2.gz JBTWQKGZZRUUNX-ANQUJSFKSA-N 2 1 357.520 0.152 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001091738063 843086164 /nfs/dbraw/zinc/08/61/64/843086164.db2.gz OLGPQRGOAPBWIM-INMHGKMJSA-N 2 1 357.520 0.152 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001091738063 843086173 /nfs/dbraw/zinc/08/61/73/843086173.db2.gz OLGPQRGOAPBWIM-INMHGKMJSA-N 2 1 357.520 0.152 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754055 843087823 /nfs/dbraw/zinc/08/78/23/843087823.db2.gz AVQGOGSRPUSIHG-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754055 843087838 /nfs/dbraw/zinc/08/78/38/843087838.db2.gz AVQGOGSRPUSIHG-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754055 843087849 /nfs/dbraw/zinc/08/78/49/843087849.db2.gz AVQGOGSRPUSIHG-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091754055 843087863 /nfs/dbraw/zinc/08/78/63/843087863.db2.gz AVQGOGSRPUSIHG-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092157808 843165938 /nfs/dbraw/zinc/16/59/38/843165938.db2.gz QCZRALOGZCLXCQ-GMBSWORKSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504698 843222543 /nfs/dbraw/zinc/22/25/43/843222543.db2.gz WQZKJOIXZYMFAO-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504698 843222545 /nfs/dbraw/zinc/22/25/45/843222545.db2.gz WQZKJOIXZYMFAO-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504698 843222555 /nfs/dbraw/zinc/22/25/55/843222555.db2.gz WQZKJOIXZYMFAO-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1C ZINC001092758615 843294399 /nfs/dbraw/zinc/29/43/99/843294399.db2.gz XCRVYDKZIMYZLQ-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001092758615 843294411 /nfs/dbraw/zinc/29/44/11/843294411.db2.gz XCRVYDKZIMYZLQ-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001092758615 843294421 /nfs/dbraw/zinc/29/44/21/843294421.db2.gz XCRVYDKZIMYZLQ-ZACQAIPSSA-N 2 1 352.523 0.879 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001276306876 861403119 /nfs/dbraw/zinc/40/31/19/861403119.db2.gz GGHVYLNKSCTVDK-MJGOQNOKSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931485 843347909 /nfs/dbraw/zinc/34/79/09/843347909.db2.gz NQJDRJUQQJEMBR-NVXWUHKLSA-N 2 1 350.507 0.635 20 0 FCADMP COCOCCC[N@H+]1CC[C@@]2(C1)CN(CCn1ccnc1)C(=O)CO2 ZINC001276312094 861406881 /nfs/dbraw/zinc/40/68/81/861406881.db2.gz ISLLFDFHKBIWEC-QGZVFWFLSA-N 2 1 352.435 0.197 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040776 843371226 /nfs/dbraw/zinc/37/12/26/843371226.db2.gz UIYUDUXGLKUSBJ-BZUAXINKSA-N 2 1 351.495 0.777 20 0 FCADMP COCCC[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276315813 861408798 /nfs/dbraw/zinc/40/87/98/861408798.db2.gz NICZKSFNHVSNAP-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP COCCC[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276315813 861408806 /nfs/dbraw/zinc/40/88/06/861408806.db2.gz NICZKSFNHVSNAP-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP COCCC[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276315813 861408811 /nfs/dbraw/zinc/40/88/11/861408811.db2.gz NICZKSFNHVSNAP-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCF)CC3)C2)O1 ZINC001093400183 843422394 /nfs/dbraw/zinc/42/23/94/843422394.db2.gz JXPUFOODOHPSSU-JBCIKUTRSA-N 2 1 357.470 0.805 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCF)CC3)C2)O1 ZINC001093400183 843422401 /nfs/dbraw/zinc/42/24/01/843422401.db2.gz JXPUFOODOHPSSU-JBCIKUTRSA-N 2 1 357.470 0.805 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CCC([NH2+]CCO)CC3)C2)CC[N@H+]1C ZINC001093399727 843423061 /nfs/dbraw/zinc/42/30/61/843423061.db2.gz OCGDLBILGDTUGU-DHADLLTHSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093672671 843453366 /nfs/dbraw/zinc/45/33/66/843453366.db2.gz ADMYDWHYVWABHV-MCIONIFRSA-N 2 1 350.467 0.414 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690731 843455297 /nfs/dbraw/zinc/45/52/97/843455297.db2.gz CZDCMOCZHYZJSK-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690731 843455308 /nfs/dbraw/zinc/45/53/08/843455308.db2.gz CZDCMOCZHYZJSK-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP CC(=O)OC(C)(C)CCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276337442 861419510 /nfs/dbraw/zinc/41/95/10/861419510.db2.gz CYMMOOHQZJXWIU-UHFFFAOYSA-N 2 1 355.479 0.583 20 0 FCADMP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001093825991 843475151 /nfs/dbraw/zinc/47/51/51/843475151.db2.gz VZXJSOXDJCDOLT-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001093992457 843500969 /nfs/dbraw/zinc/50/09/69/843500969.db2.gz SVUVTDFAQBWIAY-RBSFLKMASA-N 2 1 367.519 0.831 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)C1 ZINC001093992457 843500976 /nfs/dbraw/zinc/50/09/76/843500976.db2.gz SVUVTDFAQBWIAY-RBSFLKMASA-N 2 1 367.519 0.831 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394892 843913414 /nfs/dbraw/zinc/91/34/14/843913414.db2.gz ULZRIGZMHVIPES-VQHPVUNQSA-N 2 1 369.531 0.484 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394892 843913419 /nfs/dbraw/zinc/91/34/19/843913419.db2.gz ULZRIGZMHVIPES-VQHPVUNQSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394892 843913423 /nfs/dbraw/zinc/91/34/23/843913423.db2.gz ULZRIGZMHVIPES-VQHPVUNQSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCS(=O)(=O)CC2)C1 ZINC001098394892 843913429 /nfs/dbraw/zinc/91/34/29/843913429.db2.gz ULZRIGZMHVIPES-VQHPVUNQSA-N 2 1 369.531 0.484 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C/C=C\Cl)CCO)CC2)O1 ZINC001098404868 843915714 /nfs/dbraw/zinc/91/57/14/843915714.db2.gz WHLYNVDWBHBMCH-PDMJIFDVSA-N 2 1 359.898 0.743 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C/C=C\Cl)CCO)CC2)O1 ZINC001098404868 843915717 /nfs/dbraw/zinc/91/57/17/843915717.db2.gz WHLYNVDWBHBMCH-PDMJIFDVSA-N 2 1 359.898 0.743 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C/C=C\Cl)CCO)CC2)O1 ZINC001098404868 843915719 /nfs/dbraw/zinc/91/57/19/843915719.db2.gz WHLYNVDWBHBMCH-PDMJIFDVSA-N 2 1 359.898 0.743 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C/C=C\Cl)CCO)CC2)O1 ZINC001098404868 843915723 /nfs/dbraw/zinc/91/57/23/843915723.db2.gz WHLYNVDWBHBMCH-PDMJIFDVSA-N 2 1 359.898 0.743 20 0 FCADMP CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001099252519 843991858 /nfs/dbraw/zinc/99/18/58/843991858.db2.gz OIUOAWSQPOKKAD-VXGBXAGGSA-N 2 1 364.412 0.715 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001099269142 843998045 /nfs/dbraw/zinc/99/80/45/843998045.db2.gz YELPYBIRHQLUMT-JHJVBQTASA-N 2 1 364.412 0.538 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819401 844652145 /nfs/dbraw/zinc/65/21/45/844652145.db2.gz SJUMMLCMDCUZGJ-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819401 844652148 /nfs/dbraw/zinc/65/21/48/844652148.db2.gz SJUMMLCMDCUZGJ-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819401 844652151 /nfs/dbraw/zinc/65/21/51/844652151.db2.gz SJUMMLCMDCUZGJ-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819401 844652153 /nfs/dbraw/zinc/65/21/53/844652153.db2.gz SJUMMLCMDCUZGJ-NUJGCVRESA-N 2 1 353.507 0.960 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819588 844653088 /nfs/dbraw/zinc/65/30/88/844653088.db2.gz WGWORAGBYWNYGM-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)on1 ZINC001102819588 844653092 /nfs/dbraw/zinc/65/30/92/844653092.db2.gz WGWORAGBYWNYGM-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC001102819588 844653093 /nfs/dbraw/zinc/65/30/93/844653093.db2.gz WGWORAGBYWNYGM-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001102819588 844653099 /nfs/dbraw/zinc/65/30/99/844653099.db2.gz WGWORAGBYWNYGM-UNEWFSDZSA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994316 844681741 /nfs/dbraw/zinc/68/17/41/844681741.db2.gz XTPAMJIPIHRQGD-KBAYOESNSA-N 2 1 353.507 0.411 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001103085319 844697635 /nfs/dbraw/zinc/69/76/35/844697635.db2.gz PSFXGKKYWDXCAR-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001103085319 844697637 /nfs/dbraw/zinc/69/76/37/844697637.db2.gz PSFXGKKYWDXCAR-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001103085319 844697641 /nfs/dbraw/zinc/69/76/41/844697641.db2.gz PSFXGKKYWDXCAR-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087884 844699390 /nfs/dbraw/zinc/69/93/90/844699390.db2.gz OGRQPIWHHMOULM-QGPMSJSTSA-N 2 1 352.523 0.927 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185546 844718854 /nfs/dbraw/zinc/71/88/54/844718854.db2.gz CHJJZPSEJQEBEU-OAGGEKHMSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103368262 844744363 /nfs/dbraw/zinc/74/43/63/844744363.db2.gz RXNYCUKVXSKJSD-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001103368262 844744369 /nfs/dbraw/zinc/74/43/69/844744369.db2.gz RXNYCUKVXSKJSD-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001103368262 844744372 /nfs/dbraw/zinc/74/43/72/844744372.db2.gz RXNYCUKVXSKJSD-LTIDMASMSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397085 844750646 /nfs/dbraw/zinc/75/06/46/844750646.db2.gz YVNIOFQZLITSHY-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435907 844757281 /nfs/dbraw/zinc/75/72/81/844757281.db2.gz DDDMRORQEFGTQH-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103435907 844757287 /nfs/dbraw/zinc/75/72/87/844757287.db2.gz DDDMRORQEFGTQH-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103435907 844757290 /nfs/dbraw/zinc/75/72/90/844757290.db2.gz DDDMRORQEFGTQH-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550569 844778723 /nfs/dbraw/zinc/77/87/23/844778723.db2.gz XDHUXSWXFCHVDD-RBSFLKMASA-N 2 1 352.479 0.208 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641946 844793853 /nfs/dbraw/zinc/79/38/53/844793853.db2.gz KDQZGUXIDHMWOC-HZPDHXFCSA-N 2 1 351.495 0.573 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103642162 844794083 /nfs/dbraw/zinc/79/40/83/844794083.db2.gz SLMQOMSZUGSQJT-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103642162 844794090 /nfs/dbraw/zinc/79/40/90/844794090.db2.gz SLMQOMSZUGSQJT-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103642162 844794099 /nfs/dbraw/zinc/79/40/99/844794099.db2.gz SLMQOMSZUGSQJT-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646887 844794757 /nfs/dbraw/zinc/79/47/57/844794757.db2.gz KPUIVAIOXBMIKF-HZPDHXFCSA-N 2 1 371.547 0.591 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001103723472 844806721 /nfs/dbraw/zinc/80/67/21/844806721.db2.gz LECIPVMSJQQCPN-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722525 844806790 /nfs/dbraw/zinc/80/67/90/844806790.db2.gz RCUSWVCXMSLMON-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718886 844807096 /nfs/dbraw/zinc/80/70/96/844807096.db2.gz IVTVFHHKUHLPIY-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718886 844807099 /nfs/dbraw/zinc/80/70/99/844807099.db2.gz IVTVFHHKUHLPIY-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718886 844807103 /nfs/dbraw/zinc/80/71/03/844807103.db2.gz IVTVFHHKUHLPIY-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751798 844814817 /nfs/dbraw/zinc/81/48/17/844814817.db2.gz SGCMZSDUQDTMCI-QZTJIDSGSA-N 2 1 355.523 0.946 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001103999505 844851014 /nfs/dbraw/zinc/85/10/14/844851014.db2.gz ASTIXOICGXRLAI-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001103999633 844851696 /nfs/dbraw/zinc/85/16/96/844851696.db2.gz FRGQYAZGBADVNP-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nnsc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034013 844856336 /nfs/dbraw/zinc/85/63/36/844856336.db2.gz PJAONCAQXZOUIK-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034013 844856339 /nfs/dbraw/zinc/85/63/39/844856339.db2.gz PJAONCAQXZOUIK-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CCCCN1C[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630440 861507652 /nfs/dbraw/zinc/50/76/52/861507652.db2.gz XCZLYJUSDXJZCJ-IBGZPJMESA-N 2 1 352.523 0.727 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104422239 844910150 /nfs/dbraw/zinc/91/01/50/844910150.db2.gz HOLBBOFPPUNHAU-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682999 844932817 /nfs/dbraw/zinc/93/28/17/844932817.db2.gz FLAIJTNSITYUIK-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104908038 844958536 /nfs/dbraw/zinc/95/85/36/844958536.db2.gz GEHXCLVLOYWHSG-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007758 844968983 /nfs/dbraw/zinc/96/89/83/844968983.db2.gz FNHGXYKSDLISAC-ZACQAIPSSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105669046 845015954 /nfs/dbraw/zinc/01/59/54/845015954.db2.gz OXJNYOAQWJIYFZ-RWQQGDIJSA-N 2 1 355.523 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001105945404 845064491 /nfs/dbraw/zinc/06/44/91/845064491.db2.gz WRRYTFMWTVUHKJ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106211071 845135726 /nfs/dbraw/zinc/13/57/26/845135726.db2.gz PPJXHWVZTMCLMR-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106339577 845159231 /nfs/dbraw/zinc/15/92/31/845159231.db2.gz SVRRREHFXOXLTK-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453755 845177052 /nfs/dbraw/zinc/17/70/52/845177052.db2.gz VKHAPTPERYRIQF-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)C1 ZINC001106571105 845196556 /nfs/dbraw/zinc/19/65/56/845196556.db2.gz MMNOKGLLZPYDSM-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666476 845218205 /nfs/dbraw/zinc/21/82/05/845218205.db2.gz LZLHAJZAHAIGSP-HBUWYVDXSA-N 2 1 356.486 0.629 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001106666334 845218654 /nfs/dbraw/zinc/21/86/54/845218654.db2.gz KXQIQZOAQFMGPF-ARFHVFGLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)C1 ZINC001106665792 845218765 /nfs/dbraw/zinc/21/87/65/845218765.db2.gz BQBAHPHTFOXPFM-ZMSDIMECSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106668998 845220162 /nfs/dbraw/zinc/22/01/62/845220162.db2.gz SWMFJSJIPQAXGB-HUUCEWRRSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106840311 845265699 /nfs/dbraw/zinc/26/56/99/845265699.db2.gz HBHGOFJJJSQZKI-CHWSQXEVSA-N 2 1 366.428 0.691 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106874812 845276439 /nfs/dbraw/zinc/27/64/39/845276439.db2.gz UJOUWKTUPCJTJT-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106907944 845284710 /nfs/dbraw/zinc/28/47/10/845284710.db2.gz JRGCFWHSJGKXTF-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981125 845298674 /nfs/dbraw/zinc/29/86/74/845298674.db2.gz GSDGJDAPNDSHRW-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106980779 845299121 /nfs/dbraw/zinc/29/91/21/845299121.db2.gz AVRYPFUGPPDOPB-VNQPRFMTSA-N 2 1 366.531 0.854 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107582983 845402347 /nfs/dbraw/zinc/40/23/47/845402347.db2.gz JFXAHHFVDGWQNN-VQIMIIECSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N1CCC1)CC2 ZINC001107598680 845406085 /nfs/dbraw/zinc/40/60/85/845406085.db2.gz QLYGUELCMLOIQO-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107598680 845406090 /nfs/dbraw/zinc/40/60/90/845406090.db2.gz QLYGUELCMLOIQO-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107598680 845406097 /nfs/dbraw/zinc/40/60/97/845406097.db2.gz QLYGUELCMLOIQO-VQIMIIECSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCOCCO)CC3)C1 ZINC001107609359 845407575 /nfs/dbraw/zinc/40/75/75/845407575.db2.gz PEVNPSYCTJBBMA-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107609359 845407583 /nfs/dbraw/zinc/40/75/83/845407583.db2.gz PEVNPSYCTJBBMA-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107609359 845407588 /nfs/dbraw/zinc/40/75/88/845407588.db2.gz PEVNPSYCTJBBMA-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP COCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107633813 845411669 /nfs/dbraw/zinc/41/16/69/845411669.db2.gz CZKXIOLOWXXLII-ZHALLVOQSA-N 2 1 353.507 0.962 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109399657 845645801 /nfs/dbraw/zinc/64/58/01/845645801.db2.gz QUSRIIMTGUQOHK-MHORFTMASA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109399657 845645805 /nfs/dbraw/zinc/64/58/05/845645805.db2.gz QUSRIIMTGUQOHK-MHORFTMASA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109399657 845645808 /nfs/dbraw/zinc/64/58/08/845645808.db2.gz QUSRIIMTGUQOHK-MHORFTMASA-N 2 1 353.507 0.980 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565149 845689539 /nfs/dbraw/zinc/68/95/39/845689539.db2.gz BUABRVIPABASQL-NCOADZHNSA-N 2 1 353.507 0.980 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001109649949 845704253 /nfs/dbraw/zinc/70/42/53/845704253.db2.gz LCDZCUGMEWYEQD-WCVJEAGWSA-N 2 1 369.531 0.484 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001109649949 845704258 /nfs/dbraw/zinc/70/42/58/845704258.db2.gz LCDZCUGMEWYEQD-WCVJEAGWSA-N 2 1 369.531 0.484 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653948 845705214 /nfs/dbraw/zinc/70/52/14/845705214.db2.gz OMWCHZSJMOJILG-IKGGRYGDSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773326 845731688 /nfs/dbraw/zinc/73/16/88/845731688.db2.gz PUHMGIWKOAIHCN-WCVJEAGWSA-N 2 1 350.463 0.735 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773326 845731693 /nfs/dbraw/zinc/73/16/93/845731693.db2.gz PUHMGIWKOAIHCN-WCVJEAGWSA-N 2 1 350.463 0.735 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902748 845756799 /nfs/dbraw/zinc/75/67/99/845756799.db2.gz YTBGZFULOIFNSS-OEAJRASXSA-N 2 1 352.479 0.083 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902748 845756809 /nfs/dbraw/zinc/75/68/09/845756809.db2.gz YTBGZFULOIFNSS-OEAJRASXSA-N 2 1 352.479 0.083 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001109934176 845763125 /nfs/dbraw/zinc/76/31/25/845763125.db2.gz SJLHGPJYYGHXCJ-FZKCQIBNSA-N 2 1 359.536 0.730 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001109934176 845763129 /nfs/dbraw/zinc/76/31/29/845763129.db2.gz SJLHGPJYYGHXCJ-FZKCQIBNSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001109934176 845763134 /nfs/dbraw/zinc/76/31/34/845763134.db2.gz SJLHGPJYYGHXCJ-FZKCQIBNSA-N 2 1 359.536 0.730 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001109934176 845763138 /nfs/dbraw/zinc/76/31/38/845763138.db2.gz SJLHGPJYYGHXCJ-FZKCQIBNSA-N 2 1 359.536 0.730 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109979973 845771777 /nfs/dbraw/zinc/77/17/77/845771777.db2.gz HEBWIISNHUOJHR-FZKCQIBNSA-N 2 1 350.507 0.964 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109979973 845771783 /nfs/dbraw/zinc/77/17/83/845771783.db2.gz HEBWIISNHUOJHR-FZKCQIBNSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109979973 845771790 /nfs/dbraw/zinc/77/17/90/845771790.db2.gz HEBWIISNHUOJHR-FZKCQIBNSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109979973 845771793 /nfs/dbraw/zinc/77/17/93/845771793.db2.gz HEBWIISNHUOJHR-FZKCQIBNSA-N 2 1 350.507 0.964 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709751 845953020 /nfs/dbraw/zinc/95/30/20/845953020.db2.gz KKTMXAYODPXONG-VQHPVUNQSA-N 2 1 351.491 0.591 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110934809 845996993 /nfs/dbraw/zinc/99/69/93/845996993.db2.gz OABQTUJIQDGGCR-MLHJIOFPSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001110934809 845997001 /nfs/dbraw/zinc/99/70/01/845997001.db2.gz OABQTUJIQDGGCR-MLHJIOFPSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001110934809 845997007 /nfs/dbraw/zinc/99/70/07/845997007.db2.gz OABQTUJIQDGGCR-MLHJIOFPSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001111028894 846018910 /nfs/dbraw/zinc/01/89/10/846018910.db2.gz VZQURNSLXIFPNJ-LVQVYYBASA-N 2 1 350.507 0.964 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001111028894 846018923 /nfs/dbraw/zinc/01/89/23/846018923.db2.gz VZQURNSLXIFPNJ-LVQVYYBASA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001111028894 846018933 /nfs/dbraw/zinc/01/89/33/846018933.db2.gz VZQURNSLXIFPNJ-LVQVYYBASA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)CC(C)(C)C ZINC001111028894 846018940 /nfs/dbraw/zinc/01/89/40/846018940.db2.gz VZQURNSLXIFPNJ-LVQVYYBASA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111298717 846080722 /nfs/dbraw/zinc/08/07/22/846080722.db2.gz NENDGQCATHRFLZ-OAGGEKHMSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001111311553 846083507 /nfs/dbraw/zinc/08/35/07/846083507.db2.gz KDODTYSSAQYIDF-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001111311553 846083514 /nfs/dbraw/zinc/08/35/14/846083514.db2.gz KDODTYSSAQYIDF-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001111311553 846083519 /nfs/dbraw/zinc/08/35/19/846083519.db2.gz KDODTYSSAQYIDF-TWMKSMIVSA-N 2 1 357.495 0.074 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001111311394 846083656 /nfs/dbraw/zinc/08/36/56/846083656.db2.gz CBTXVHIUVNHKPD-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111311394 846083662 /nfs/dbraw/zinc/08/36/62/846083662.db2.gz CBTXVHIUVNHKPD-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111311394 846083667 /nfs/dbraw/zinc/08/36/67/846083667.db2.gz CBTXVHIUVNHKPD-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408364 846099297 /nfs/dbraw/zinc/09/92/97/846099297.db2.gz VCEBGEPVFVLILL-TVFCKZIOSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408364 846099301 /nfs/dbraw/zinc/09/93/01/846099301.db2.gz VCEBGEPVFVLILL-TVFCKZIOSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753221 846190995 /nfs/dbraw/zinc/19/09/95/846190995.db2.gz KCDOWGYFTRTIMS-OLMMMNRUSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753221 846191001 /nfs/dbraw/zinc/19/10/01/846191001.db2.gz KCDOWGYFTRTIMS-OLMMMNRUSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753221 846191008 /nfs/dbraw/zinc/19/10/08/846191008.db2.gz KCDOWGYFTRTIMS-OLMMMNRUSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)CC[N@H+]1C ZINC001111753374 846191293 /nfs/dbraw/zinc/19/12/93/846191293.db2.gz ZIYWXBPHEUJRBQ-BMFAXAFESA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC[NH+]1C ZINC001111753374 846191297 /nfs/dbraw/zinc/19/12/97/846191297.db2.gz ZIYWXBPHEUJRBQ-BMFAXAFESA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)CC[NH+]1C ZINC001111753374 846191302 /nfs/dbraw/zinc/19/13/02/846191302.db2.gz ZIYWXBPHEUJRBQ-BMFAXAFESA-N 2 1 353.507 0.696 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778191 846201018 /nfs/dbraw/zinc/20/10/18/846201018.db2.gz MTVCECDVLGOZTP-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778191 846201025 /nfs/dbraw/zinc/20/10/25/846201025.db2.gz MTVCECDVLGOZTP-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778191 846201033 /nfs/dbraw/zinc/20/10/33/846201033.db2.gz MTVCECDVLGOZTP-KXBFYZLASA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855541 846231778 /nfs/dbraw/zinc/23/17/78/846231778.db2.gz ABYINQWOFPULEJ-VCBZYWHSSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCS(C)(=O)=O)C3)CC1 ZINC001111855989 846231941 /nfs/dbraw/zinc/23/19/41/846231941.db2.gz VYJXAXINKSLDBI-YOEHRIQHSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCS(C)(=O)=O)C3)CC1 ZINC001111855989 846231954 /nfs/dbraw/zinc/23/19/54/846231954.db2.gz VYJXAXINKSLDBI-YOEHRIQHSA-N 2 1 357.520 0.344 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871885 846240052 /nfs/dbraw/zinc/24/00/52/846240052.db2.gz PSBIXIVCOGJVAW-BXWFABGCSA-N 2 1 353.507 0.696 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871885 846240061 /nfs/dbraw/zinc/24/00/61/846240061.db2.gz PSBIXIVCOGJVAW-BXWFABGCSA-N 2 1 353.507 0.696 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871885 846240068 /nfs/dbraw/zinc/24/00/68/846240068.db2.gz PSBIXIVCOGJVAW-BXWFABGCSA-N 2 1 353.507 0.696 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111910322 846256784 /nfs/dbraw/zinc/25/67/84/846256784.db2.gz UEVWQDWBXILAPS-IYOUNJFTSA-N 2 1 350.463 0.104 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938022 846268376 /nfs/dbraw/zinc/26/83/76/846268376.db2.gz HVOWSCPVSFVFOU-YJBOKZPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938022 846268391 /nfs/dbraw/zinc/26/83/91/846268391.db2.gz HVOWSCPVSFVFOU-YJBOKZPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCNC1=O)C2 ZINC001111950996 846273592 /nfs/dbraw/zinc/27/35/92/846273592.db2.gz NPARXJVZNMHBBK-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001111950996 846273601 /nfs/dbraw/zinc/27/36/01/846273601.db2.gz NPARXJVZNMHBBK-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111950996 846273614 /nfs/dbraw/zinc/27/36/14/846273614.db2.gz NPARXJVZNMHBBK-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984002 846283630 /nfs/dbraw/zinc/28/36/30/846283630.db2.gz VFIJMPSVEOUHSL-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111984002 846283641 /nfs/dbraw/zinc/28/36/41/846283641.db2.gz VFIJMPSVEOUHSL-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111984002 846283653 /nfs/dbraw/zinc/28/36/53/846283653.db2.gz VFIJMPSVEOUHSL-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004227 846290316 /nfs/dbraw/zinc/29/03/16/846290316.db2.gz QJHQNIGFAYAKCF-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H]1CCCN(C)C1=O)C2 ZINC001112009898 846295084 /nfs/dbraw/zinc/29/50/84/846295084.db2.gz ZFSPSZBGWHEGPS-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001112009898 846295094 /nfs/dbraw/zinc/29/50/94/846295094.db2.gz ZFSPSZBGWHEGPS-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001112009898 846295105 /nfs/dbraw/zinc/29/51/05/846295105.db2.gz ZFSPSZBGWHEGPS-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112071106 846347998 /nfs/dbraw/zinc/34/79/98/846347998.db2.gz QUAQMVRMNZWRIX-UPJWGTAASA-N 2 1 353.385 0.068 20 0 FCADMP CC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899103 861676550 /nfs/dbraw/zinc/67/65/50/861676550.db2.gz GAEMXQXXSSTGKH-LPHOPBHVSA-N 2 1 350.507 0.526 20 0 FCADMP CC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276899103 861676556 /nfs/dbraw/zinc/67/65/56/861676556.db2.gz GAEMXQXXSSTGKH-LPHOPBHVSA-N 2 1 350.507 0.526 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112123590 846401333 /nfs/dbraw/zinc/40/13/33/846401333.db2.gz QUPSDOCDCUBGBC-GMTAPVOTSA-N 2 1 352.401 0.569 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112123590 846401338 /nfs/dbraw/zinc/40/13/38/846401338.db2.gz QUPSDOCDCUBGBC-GMTAPVOTSA-N 2 1 352.401 0.569 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112151954 846419453 /nfs/dbraw/zinc/41/94/53/846419453.db2.gz CFUFHDUBIZHLBS-MGPQQGTHSA-N 2 1 367.412 0.457 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)C1 ZINC001112151954 846419460 /nfs/dbraw/zinc/41/94/60/846419460.db2.gz CFUFHDUBIZHLBS-MGPQQGTHSA-N 2 1 367.412 0.457 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112166163 846429229 /nfs/dbraw/zinc/42/92/29/846429229.db2.gz HUQJMMCJJMTFQD-BFHYXJOUSA-N 2 1 367.412 0.459 20 0 FCADMP CC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276899103 861676543 /nfs/dbraw/zinc/67/65/43/861676543.db2.gz GAEMXQXXSSTGKH-LPHOPBHVSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112178762 846438555 /nfs/dbraw/zinc/43/85/55/846438555.db2.gz BZJBAADOJRPZCQ-CHWSQXEVSA-N 2 1 353.385 0.070 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112189951 846449267 /nfs/dbraw/zinc/44/92/67/846449267.db2.gz DWJBYQCDPSHHRG-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112189951 846449273 /nfs/dbraw/zinc/44/92/73/846449273.db2.gz DWJBYQCDPSHHRG-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194029 846452790 /nfs/dbraw/zinc/45/27/90/846452790.db2.gz IUWGPHXJUKRWJG-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194029 846452794 /nfs/dbraw/zinc/45/27/94/846452794.db2.gz IUWGPHXJUKRWJG-JHJVBQTASA-N 2 1 364.412 0.395 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112196655 846454976 /nfs/dbraw/zinc/45/49/76/846454976.db2.gz XFIDYBYUUFVAKE-BFHYXJOUSA-N 2 1 369.428 0.705 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112196516 846455519 /nfs/dbraw/zinc/45/55/19/846455519.db2.gz OMTPKMFQYBCEJJ-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112196516 846455526 /nfs/dbraw/zinc/45/55/26/846455526.db2.gz OMTPKMFQYBCEJJ-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112198289 846456255 /nfs/dbraw/zinc/45/62/55/846456255.db2.gz NBZKUDWEQJGOJZ-JHJVBQTASA-N 2 1 355.401 0.314 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112198299 846456516 /nfs/dbraw/zinc/45/65/16/846456516.db2.gz NHXFULMTJKCMIJ-CHWSQXEVSA-N 2 1 362.400 0.636 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112198299 846456530 /nfs/dbraw/zinc/45/65/30/846456530.db2.gz NHXFULMTJKCMIJ-CHWSQXEVSA-N 2 1 362.400 0.636 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112198136 846457144 /nfs/dbraw/zinc/45/71/44/846457144.db2.gz CNWNTCPZWNPXBG-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112198136 846457146 /nfs/dbraw/zinc/45/71/46/846457146.db2.gz CNWNTCPZWNPXBG-IJLUTSLNSA-N 2 1 350.385 0.196 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206640 846463965 /nfs/dbraw/zinc/46/39/65/846463965.db2.gz YWXKYDLKWXGCRK-CHWSQXEVSA-N 2 1 364.412 0.587 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112211919 846469134 /nfs/dbraw/zinc/46/91/34/846469134.db2.gz CWURMQWFGNRZFN-GRYCIOLGSA-N 2 1 352.401 0.569 20 0 FCADMP CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291642 846490644 /nfs/dbraw/zinc/49/06/44/846490644.db2.gz STIYOVDUWOREJQ-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291642 846490650 /nfs/dbraw/zinc/49/06/50/846490650.db2.gz STIYOVDUWOREJQ-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)C1 ZINC001112516625 846512399 /nfs/dbraw/zinc/51/23/99/846512399.db2.gz SXASJERXAMQTIE-SCTDSRPQSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)C1 ZINC001112516625 846512408 /nfs/dbraw/zinc/51/24/08/846512408.db2.gz SXASJERXAMQTIE-SCTDSRPQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112529905 846515992 /nfs/dbraw/zinc/51/59/92/846515992.db2.gz VDHRMLWWLONQQX-BXWFABGCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112567606 846525995 /nfs/dbraw/zinc/52/59/95/846525995.db2.gz YLRXMAVJZQLSDN-LPHOPBHVSA-N 2 1 350.507 0.779 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114304693 846550161 /nfs/dbraw/zinc/55/01/61/846550161.db2.gz WWLIOCHTYFKRMJ-ZNFSNMQZSA-N 2 1 350.507 0.535 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)C)C[C@H]32)CC[N@H+]1C ZINC001114304693 846550166 /nfs/dbraw/zinc/55/01/66/846550166.db2.gz WWLIOCHTYFKRMJ-ZNFSNMQZSA-N 2 1 350.507 0.535 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC(C)C)C[C@H]32)CC[NH+]1C ZINC001114304693 846550171 /nfs/dbraw/zinc/55/01/71/846550171.db2.gz WWLIOCHTYFKRMJ-ZNFSNMQZSA-N 2 1 350.507 0.535 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC(C)C)C[C@H]32)CC[NH+]1C ZINC001114304693 846550180 /nfs/dbraw/zinc/55/01/80/846550180.db2.gz WWLIOCHTYFKRMJ-ZNFSNMQZSA-N 2 1 350.507 0.535 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276960006 861707281 /nfs/dbraw/zinc/70/72/81/861707281.db2.gz NDHJBCLKEQFJAR-DLBZAZTESA-N 2 1 352.523 0.223 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001116577399 846710415 /nfs/dbraw/zinc/71/04/15/846710415.db2.gz FHKXQNIVTFBRAL-RRFJBIMHSA-N 2 1 357.520 0.532 20 0 FCADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001116577399 846710423 /nfs/dbraw/zinc/71/04/23/846710423.db2.gz FHKXQNIVTFBRAL-RRFJBIMHSA-N 2 1 357.520 0.532 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001117356481 846979137 /nfs/dbraw/zinc/97/91/37/846979137.db2.gz LUNJJIXDXJXDCB-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001277235034 861796358 /nfs/dbraw/zinc/79/63/58/861796358.db2.gz LBRVGBSHHSYIHF-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001277235034 861796370 /nfs/dbraw/zinc/79/63/70/861796370.db2.gz LBRVGBSHHSYIHF-SFHVURJKSA-N 2 1 350.438 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC001119424962 847839964 /nfs/dbraw/zinc/83/99/64/847839964.db2.gz NGNDVZWBRIYMCZ-IKGGRYGDSA-N 2 1 353.511 0.175 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001120642582 848260832 /nfs/dbraw/zinc/26/08/32/848260832.db2.gz SAPLLMOHMWRJKR-IRXDYDNUSA-N 2 1 353.511 0.163 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2C)CC1=O ZINC001120810734 848287249 /nfs/dbraw/zinc/28/72/49/848287249.db2.gz VHTZKZCQISNBDR-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC001120810734 848287267 /nfs/dbraw/zinc/28/72/67/848287267.db2.gz VHTZKZCQISNBDR-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC001120810734 848287273 /nfs/dbraw/zinc/28/72/73/848287273.db2.gz VHTZKZCQISNBDR-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H](O)COC)C3)CC[N@H+]1C ZINC001121133907 848321124 /nfs/dbraw/zinc/32/11/24/848321124.db2.gz KXPXXGLSNNWCIX-VAXFGDBPSA-N 2 1 353.507 0.741 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC001277499934 861908653 /nfs/dbraw/zinc/90/86/53/861908653.db2.gz NVJOFBXTZLWGMT-GOSISDBHSA-N 2 1 350.463 0.904 20 0 FCADMP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)s1 ZINC001127571730 848727104 /nfs/dbraw/zinc/72/71/04/848727104.db2.gz ZZDJIWNTRCCTFP-ZBFHGGJFSA-N 2 1 367.519 0.799 20 0 FCADMP CNS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001127643707 848730570 /nfs/dbraw/zinc/73/05/70/848730570.db2.gz HQGZEBFTSYLTIE-CZUORRHYSA-N 2 1 368.503 0.141 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCc2cccs2)CC[N@H+]1C ZINC001127700868 848732753 /nfs/dbraw/zinc/73/27/53/848732753.db2.gz FVFQIAAQAVSDSA-JKSUJKDBSA-N 2 1 366.531 0.843 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccsc2)CC[N@H+]1C ZINC001127706145 848732903 /nfs/dbraw/zinc/73/29/03/848732903.db2.gz IOTUOFDPIFPZCJ-JKSUJKDBSA-N 2 1 366.531 0.843 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049017 848799586 /nfs/dbraw/zinc/79/95/86/848799586.db2.gz OJLHOXOBESDRLB-ZNMIVQPWSA-N 2 1 352.458 0.852 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049039 848799706 /nfs/dbraw/zinc/79/97/06/848799706.db2.gz PENZSDBTRMGUOF-ZNMIVQPWSA-N 2 1 350.467 0.139 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049039 848799714 /nfs/dbraw/zinc/79/97/14/848799714.db2.gz PENZSDBTRMGUOF-ZNMIVQPWSA-N 2 1 350.467 0.139 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228250 848819691 /nfs/dbraw/zinc/81/96/91/848819691.db2.gz KFEPPYHOHQSENN-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384910 848837949 /nfs/dbraw/zinc/83/79/49/848837949.db2.gz BOGVUGKCLAJOKL-XHSDSOJGSA-N 2 1 352.483 0.244 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894311 848909671 /nfs/dbraw/zinc/90/96/71/848909671.db2.gz ACXZSOQXPDGLMZ-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894888 848910141 /nfs/dbraw/zinc/91/01/41/848910141.db2.gz WPARETGXAKRNRB-IMJJTQAJSA-N 2 1 352.458 0.852 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005766 848929757 /nfs/dbraw/zinc/92/97/57/848929757.db2.gz GPRDQZVAHNURMV-MDQLWMCGSA-N 2 1 352.870 0.714 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130096999 848944400 /nfs/dbraw/zinc/94/44/00/848944400.db2.gz XOKBMJYTECEUAE-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(Cl)cc2)O1 ZINC001130184236 848962140 /nfs/dbraw/zinc/96/21/40/848962140.db2.gz HOUBHZJBBSVIQE-IUODEOHRSA-N 2 1 368.865 0.703 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccc(Cl)cc2)O1 ZINC001130184236 848962145 /nfs/dbraw/zinc/96/21/45/848962145.db2.gz HOUBHZJBBSVIQE-IUODEOHRSA-N 2 1 368.865 0.703 20 0 FCADMP CC(C)CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184709 848963861 /nfs/dbraw/zinc/96/38/61/848963861.db2.gz XHXPYMYEHDZBON-BZUAXINKSA-N 2 1 356.511 0.352 20 0 FCADMP CC(C)CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184709 848963866 /nfs/dbraw/zinc/96/38/66/848963866.db2.gz XHXPYMYEHDZBON-BZUAXINKSA-N 2 1 356.511 0.352 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001130221120 848979101 /nfs/dbraw/zinc/97/91/01/848979101.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001130221120 848979110 /nfs/dbraw/zinc/97/91/10/848979110.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001130221120 848979118 /nfs/dbraw/zinc/97/91/18/848979118.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 2 1 350.467 0.387 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130719247 849028951 /nfs/dbraw/zinc/02/89/51/849028951.db2.gz FVIGCVLOZHDSSE-YQQAZPJKSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313299 849095479 /nfs/dbraw/zinc/09/54/79/849095479.db2.gz NCDXPOIRRNDMKN-XHSDSOJGSA-N 2 1 352.479 0.844 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126265 849175723 /nfs/dbraw/zinc/17/57/23/849175723.db2.gz IEUAYVQQPZIQIA-SJORKVTESA-N 2 1 367.515 0.472 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3csnn3)CC2)C1=O ZINC001140996740 849377886 /nfs/dbraw/zinc/37/78/86/849377886.db2.gz ZBGGMVNYXAQEGK-UHFFFAOYSA-N 2 1 352.508 0.208 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3csnn3)CC2)C1=O ZINC001140996740 849377895 /nfs/dbraw/zinc/37/78/95/849377895.db2.gz ZBGGMVNYXAQEGK-UHFFFAOYSA-N 2 1 352.508 0.208 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001142584454 849453831 /nfs/dbraw/zinc/45/38/31/849453831.db2.gz XNKLHWIOFHMSNT-UHFFFAOYSA-N 2 1 351.451 0.191 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCS(=O)(=O)c1ccccc1 ZINC001142974519 849469027 /nfs/dbraw/zinc/46/90/27/849469027.db2.gz BWQLSRWAPUVOMX-UHFFFAOYSA-N 2 1 354.476 0.914 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001143353289 849484268 /nfs/dbraw/zinc/48/42/68/849484268.db2.gz HXIOMPRDSIVBHC-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+]1CCC(C(=O)N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)CC1 ZINC001146780157 849565291 /nfs/dbraw/zinc/56/52/91/849565291.db2.gz UFCGCFUNEFCHFA-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)O)CC1 ZINC001151180097 849680930 /nfs/dbraw/zinc/68/09/30/849680930.db2.gz DDQPSLUHOHYPIF-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP COCCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+](C[C@H](C)O)CC1 ZINC001151180097 849680933 /nfs/dbraw/zinc/68/09/33/849680933.db2.gz DDQPSLUHOHYPIF-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC001152144028 849706358 /nfs/dbraw/zinc/70/63/58/849706358.db2.gz RCRBTZUSIIJLHM-KRWDZBQOSA-N 2 1 353.507 0.793 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC001153324266 849742978 /nfs/dbraw/zinc/74/29/78/849742978.db2.gz AFCJKQSDVVDDOM-KRWDZBQOSA-N 2 1 352.523 0.774 20 0 FCADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC001158380724 850042081 /nfs/dbraw/zinc/04/20/81/850042081.db2.gz VMEJFBXILDCKTN-RRFJBIMHSA-N 2 1 350.463 0.893 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001158380707 850042575 /nfs/dbraw/zinc/04/25/75/850042575.db2.gz UWKDZQFDOOSGEZ-CHWSQXEVSA-N 2 1 355.483 0.047 20 0 FCADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC3)cs1 ZINC001158976598 850089434 /nfs/dbraw/zinc/08/94/34/850089434.db2.gz KOUGKKOHVHRUNS-JKSUJKDBSA-N 2 1 364.515 0.989 20 0 FCADMP CC(C)(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160387 850098880 /nfs/dbraw/zinc/09/88/80/850098880.db2.gz JQTLUUMXDNZKMN-HRLGVUPISA-N 2 1 350.507 0.746 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834660 850139084 /nfs/dbraw/zinc/13/90/84/850139084.db2.gz WFYDWUSVLOLVDT-LYYZXLFJSA-N 2 1 361.515 0.516 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834271 850139289 /nfs/dbraw/zinc/13/92/89/850139289.db2.gz UODOINIOFYUXRN-HOCLYGCPSA-N 2 1 363.531 0.908 20 0 FCADMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277793986 862096138 /nfs/dbraw/zinc/09/61/38/862096138.db2.gz BXWNZBLBXWCAFX-MAUKXSAKSA-N 2 1 355.479 0.175 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160232360 850160670 /nfs/dbraw/zinc/16/06/70/850160670.db2.gz ZXPIASUFVOYFKC-WFASDCNBSA-N 2 1 354.405 0.217 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001160629219 850186409 /nfs/dbraw/zinc/18/64/09/850186409.db2.gz JNHPLIGVIPJDMO-SFHVURJKSA-N 2 1 350.507 0.994 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cn(C(C)(C)C)nn2)O1 ZINC001160850622 850204598 /nfs/dbraw/zinc/20/45/98/850204598.db2.gz CUAFQKAMQXVAIN-UKRRQHHQSA-N 2 1 352.483 0.348 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2cn(C(C)(C)C)nn2)O1 ZINC001160850622 850204609 /nfs/dbraw/zinc/20/46/09/850204609.db2.gz CUAFQKAMQXVAIN-UKRRQHHQSA-N 2 1 352.483 0.348 20 0 FCADMP Cc1nn(C)c(Cl)c1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160861909 850209337 /nfs/dbraw/zinc/20/93/37/850209337.db2.gz AESYOVMYYCVKIE-BXUZGUMPSA-N 2 1 357.886 0.697 20 0 FCADMP Cc1nn(C)c(Cl)c1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160861909 850209343 /nfs/dbraw/zinc/20/93/43/850209343.db2.gz AESYOVMYYCVKIE-BXUZGUMPSA-N 2 1 357.886 0.697 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)C2)CC1 ZINC001161378250 850256181 /nfs/dbraw/zinc/25/61/81/850256181.db2.gz KYUZIQBGHBUSMN-WDYCEAGBSA-N 3 1 350.507 0.559 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CO[C@]4(C3)CCC[NH2+]CC4)C2)CC1 ZINC001161381620 850256267 /nfs/dbraw/zinc/25/62/67/850256267.db2.gz YNEAMHFODARSHV-SZVBFZGTSA-N 3 1 350.507 0.559 20 0 FCADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001168323160 850583045 /nfs/dbraw/zinc/58/30/45/850583045.db2.gz SLMWFKAMRFTLLO-KWXGJIJISA-N 2 1 351.491 0.807 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1noc3c1C[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169131132 850606837 /nfs/dbraw/zinc/60/68/37/850606837.db2.gz PWYAVMXZXFZVBV-ITGUQSILSA-N 2 1 354.476 0.707 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169132957 850607713 /nfs/dbraw/zinc/60/77/13/850607713.db2.gz ANQGQABRKOTHKE-CNMWIUBYSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132957 850607717 /nfs/dbraw/zinc/60/77/17/850607717.db2.gz ANQGQABRKOTHKE-CNMWIUBYSA-N 2 1 351.491 0.998 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132957 850607726 /nfs/dbraw/zinc/60/77/26/850607726.db2.gz ANQGQABRKOTHKE-CNMWIUBYSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@H](CCCC[NH2+]CCn1cncn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498354 850686905 /nfs/dbraw/zinc/68/69/05/850686905.db2.gz ABBHFQARLLLGNG-BZUAXINKSA-N 2 1 352.483 0.262 20 0 FCADMP C[C@H](CCCC[NH2+]CCn1cncn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498354 850686910 /nfs/dbraw/zinc/68/69/10/850686910.db2.gz ABBHFQARLLLGNG-BZUAXINKSA-N 2 1 352.483 0.262 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501280 850687179 /nfs/dbraw/zinc/68/71/79/850687179.db2.gz RPOSTUZFHCTQCV-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501280 850687183 /nfs/dbraw/zinc/68/71/83/850687183.db2.gz RPOSTUZFHCTQCV-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ncc3O)C2)OCC1=O ZINC001278056153 862177267 /nfs/dbraw/zinc/17/72/67/862177267.db2.gz MYJHDPVSCZJMSA-QGZVFWFLSA-N 2 1 368.865 0.806 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001178521657 850904679 /nfs/dbraw/zinc/90/46/79/850904679.db2.gz AVOAMPRZXOZYOX-BFHYXJOUSA-N 2 1 355.483 0.176 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811426 850933963 /nfs/dbraw/zinc/93/39/63/850933963.db2.gz VMWBLZAHHAMWMC-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP CCN(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811426 850933970 /nfs/dbraw/zinc/93/39/70/850933970.db2.gz VMWBLZAHHAMWMC-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001183576211 851253069 /nfs/dbraw/zinc/25/30/69/851253069.db2.gz GJOHQDNVTPMPHO-BPLDGKMQSA-N 2 1 351.451 0.220 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001183576211 851253078 /nfs/dbraw/zinc/25/30/78/851253078.db2.gz GJOHQDNVTPMPHO-BPLDGKMQSA-N 2 1 351.451 0.220 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001185246081 851344357 /nfs/dbraw/zinc/34/43/57/851344357.db2.gz ZKDYOMHIWPEKRQ-SFHVURJKSA-N 2 1 352.523 0.583 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107503 851646593 /nfs/dbraw/zinc/64/65/93/851646593.db2.gz RYFINOUBJISFKM-ARFHVFGLSA-N 2 1 356.486 0.677 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107503 851646597 /nfs/dbraw/zinc/64/65/97/851646597.db2.gz RYFINOUBJISFKM-ARFHVFGLSA-N 2 1 356.486 0.677 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001188188850 851657691 /nfs/dbraw/zinc/65/76/91/851657691.db2.gz HGWYATNOYPZPFL-RCCFBDPRSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188188850 851657686 /nfs/dbraw/zinc/65/76/86/851657686.db2.gz HGWYATNOYPZPFL-RCCFBDPRSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001188188850 851657697 /nfs/dbraw/zinc/65/76/97/851657697.db2.gz HGWYATNOYPZPFL-RCCFBDPRSA-N 2 1 353.507 0.506 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246371 851661435 /nfs/dbraw/zinc/66/14/35/851661435.db2.gz JUCPUTGWGPJQOC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246371 851661438 /nfs/dbraw/zinc/66/14/38/851661438.db2.gz JUCPUTGWGPJQOC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246371 851661444 /nfs/dbraw/zinc/66/14/44/851661444.db2.gz JUCPUTGWGPJQOC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246371 851661451 /nfs/dbraw/zinc/66/14/51/851661451.db2.gz JUCPUTGWGPJQOC-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917683 851732852 /nfs/dbraw/zinc/73/28/52/851732852.db2.gz ICJKOIZMFTVBGS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917683 851732858 /nfs/dbraw/zinc/73/28/58/851732858.db2.gz ICJKOIZMFTVBGS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917683 851732866 /nfs/dbraw/zinc/73/28/66/851732866.db2.gz ICJKOIZMFTVBGS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001188917683 851732873 /nfs/dbraw/zinc/73/28/73/851732873.db2.gz ICJKOIZMFTVBGS-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970774 851739099 /nfs/dbraw/zinc/73/90/99/851739099.db2.gz KGJFABCZYBRKEH-JKSUJKDBSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970774 851739101 /nfs/dbraw/zinc/73/91/01/851739101.db2.gz KGJFABCZYBRKEH-JKSUJKDBSA-N 2 1 350.507 0.633 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979498 851739471 /nfs/dbraw/zinc/73/94/71/851739471.db2.gz OSKGEPIBJBMYGM-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001188979498 851739474 /nfs/dbraw/zinc/73/94/74/851739474.db2.gz OSKGEPIBJBMYGM-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001189041193 851745242 /nfs/dbraw/zinc/74/52/42/851745242.db2.gz OCMQPHVFSMUCQB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1 ZINC001189041193 851745247 /nfs/dbraw/zinc/74/52/47/851745247.db2.gz OCMQPHVFSMUCQB-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001189055659 851746505 /nfs/dbraw/zinc/74/65/05/851746505.db2.gz YXNAWHVIJQFEQT-ARFHVFGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159947 851761760 /nfs/dbraw/zinc/76/17/60/851761760.db2.gz QXBODPZZYZVGKR-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159947 851761767 /nfs/dbraw/zinc/76/17/67/851761767.db2.gz QXBODPZZYZVGKR-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159947 851761774 /nfs/dbraw/zinc/76/17/74/851761774.db2.gz QXBODPZZYZVGKR-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001278277264 862288184 /nfs/dbraw/zinc/28/81/84/862288184.db2.gz VYJNNXBMXWLEIR-SQNIBIBYSA-N 2 1 351.491 0.809 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001278277264 862288198 /nfs/dbraw/zinc/28/81/98/862288198.db2.gz VYJNNXBMXWLEIR-SQNIBIBYSA-N 2 1 351.491 0.809 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189851816 851830227 /nfs/dbraw/zinc/83/02/27/851830227.db2.gz QDYSUQXGGQJDIX-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189871824 851833782 /nfs/dbraw/zinc/83/37/82/851833782.db2.gz RRRXQJUNGHLBGF-RRFJBIMHSA-N 2 1 350.463 0.056 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913127 851840473 /nfs/dbraw/zinc/84/04/73/851840473.db2.gz MQFBTTPNCYZLNE-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913127 851840482 /nfs/dbraw/zinc/84/04/82/851840482.db2.gz MQFBTTPNCYZLNE-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913127 851840491 /nfs/dbraw/zinc/84/04/91/851840491.db2.gz MQFBTTPNCYZLNE-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001189912826 851840995 /nfs/dbraw/zinc/84/09/95/851840995.db2.gz GSMZVOQIIIMCRD-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189912826 851841005 /nfs/dbraw/zinc/84/10/05/851841005.db2.gz GSMZVOQIIIMCRD-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189912826 851841015 /nfs/dbraw/zinc/84/10/15/851841015.db2.gz GSMZVOQIIIMCRD-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148062 851867220 /nfs/dbraw/zinc/86/72/20/851867220.db2.gz CWZRNEATEYGDQY-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148062 851867222 /nfs/dbraw/zinc/86/72/22/851867222.db2.gz CWZRNEATEYGDQY-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148062 851867224 /nfs/dbraw/zinc/86/72/24/851867224.db2.gz CWZRNEATEYGDQY-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148062 851867225 /nfs/dbraw/zinc/86/72/25/851867225.db2.gz CWZRNEATEYGDQY-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176782 851870894 /nfs/dbraw/zinc/87/08/94/851870894.db2.gz GBKQHQAHSDXUIS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176782 851870899 /nfs/dbraw/zinc/87/08/99/851870899.db2.gz GBKQHQAHSDXUIS-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCS(=O)(=O)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237761 851882096 /nfs/dbraw/zinc/88/20/96/851882096.db2.gz FKVZPIUNDQMCAW-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237761 851882103 /nfs/dbraw/zinc/88/21/03/851882103.db2.gz FKVZPIUNDQMCAW-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP CCS(=O)(=O)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237761 851882107 /nfs/dbraw/zinc/88/21/07/851882107.db2.gz FKVZPIUNDQMCAW-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP CCS(=O)(=O)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237761 851882112 /nfs/dbraw/zinc/88/21/12/851882112.db2.gz FKVZPIUNDQMCAW-BZUAXINKSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001190246472 851882144 /nfs/dbraw/zinc/88/21/44/851882144.db2.gz CKPVSHUEOGBDDY-HRCADAONSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001190246472 851882146 /nfs/dbraw/zinc/88/21/46/851882146.db2.gz CKPVSHUEOGBDDY-HRCADAONSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246472 851882148 /nfs/dbraw/zinc/88/21/48/851882148.db2.gz CKPVSHUEOGBDDY-HRCADAONSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001190246472 851882149 /nfs/dbraw/zinc/88/21/49/851882149.db2.gz CKPVSHUEOGBDDY-HRCADAONSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001190247163 851883663 /nfs/dbraw/zinc/88/36/63/851883663.db2.gz LXGQVDYLKGWXNV-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001190247163 851883671 /nfs/dbraw/zinc/88/36/71/851883671.db2.gz LXGQVDYLKGWXNV-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001190247163 851883678 /nfs/dbraw/zinc/88/36/78/851883678.db2.gz LXGQVDYLKGWXNV-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001190370898 851898497 /nfs/dbraw/zinc/89/84/97/851898497.db2.gz LBXJSADLPRXZQB-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001190370898 851898506 /nfs/dbraw/zinc/89/85/06/851898506.db2.gz LBXJSADLPRXZQB-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001190370898 851898514 /nfs/dbraw/zinc/89/85/14/851898514.db2.gz LBXJSADLPRXZQB-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001190370898 851898518 /nfs/dbraw/zinc/89/85/18/851898518.db2.gz LBXJSADLPRXZQB-BHYGNILZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001192844597 852300985 /nfs/dbraw/zinc/30/09/85/852300985.db2.gz ZDHSCSWFXRXBKJ-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001192844597 852300995 /nfs/dbraw/zinc/30/09/95/852300995.db2.gz ZDHSCSWFXRXBKJ-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001192844597 852301003 /nfs/dbraw/zinc/30/10/03/852301003.db2.gz ZDHSCSWFXRXBKJ-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001192844597 852301013 /nfs/dbraw/zinc/30/10/13/852301013.db2.gz ZDHSCSWFXRXBKJ-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821064 852494901 /nfs/dbraw/zinc/49/49/01/852494901.db2.gz CIXMLOJLYYHCFY-QZTJIDSGSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821064 852494906 /nfs/dbraw/zinc/49/49/06/852494906.db2.gz CIXMLOJLYYHCFY-QZTJIDSGSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821064 852494910 /nfs/dbraw/zinc/49/49/10/852494910.db2.gz CIXMLOJLYYHCFY-QZTJIDSGSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001193901555 852503732 /nfs/dbraw/zinc/50/37/32/852503732.db2.gz GPNWNPXVNBEKEZ-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001193901555 852503738 /nfs/dbraw/zinc/50/37/38/852503738.db2.gz GPNWNPXVNBEKEZ-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001193901555 852503740 /nfs/dbraw/zinc/50/37/40/852503740.db2.gz GPNWNPXVNBEKEZ-RCCFBDPRSA-N 2 1 353.507 0.839 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982753 852686789 /nfs/dbraw/zinc/68/67/89/852686789.db2.gz SAWOYASZMAMOKN-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195548999 852782705 /nfs/dbraw/zinc/78/27/05/852782705.db2.gz OGLDJJAJLYWBRV-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195548999 852782711 /nfs/dbraw/zinc/78/27/11/852782711.db2.gz OGLDJJAJLYWBRV-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195548999 852782719 /nfs/dbraw/zinc/78/27/19/852782719.db2.gz OGLDJJAJLYWBRV-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)C1 ZINC001195548999 852782728 /nfs/dbraw/zinc/78/27/28/852782728.db2.gz OGLDJJAJLYWBRV-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640619 852803608 /nfs/dbraw/zinc/80/36/08/852803608.db2.gz IHBBGRKTLVVCBK-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640619 852803614 /nfs/dbraw/zinc/80/36/14/852803614.db2.gz IHBBGRKTLVVCBK-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001195676767 852810712 /nfs/dbraw/zinc/81/07/12/852810712.db2.gz KEIGBFPBBBTSEL-BRWVUGGUSA-N 2 1 353.507 0.431 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195708174 852816229 /nfs/dbraw/zinc/81/62/29/852816229.db2.gz HCNSXTKFCPOWKO-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195708174 852816237 /nfs/dbraw/zinc/81/62/37/852816237.db2.gz HCNSXTKFCPOWKO-BRWVUGGUSA-N 2 1 353.438 0.362 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893274 852843207 /nfs/dbraw/zinc/84/32/07/852843207.db2.gz DBFJROZITZMTLF-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893274 852843217 /nfs/dbraw/zinc/84/32/17/852843217.db2.gz DBFJROZITZMTLF-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893274 852843224 /nfs/dbraw/zinc/84/32/24/852843224.db2.gz DBFJROZITZMTLF-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252223 852925187 /nfs/dbraw/zinc/92/51/87/852925187.db2.gz VRIWYWOMYNHIKT-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252222 852925348 /nfs/dbraw/zinc/92/53/48/852925348.db2.gz VRIWYWOMYNHIKT-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)C(C)C ZINC001197018405 853049581 /nfs/dbraw/zinc/04/95/81/853049581.db2.gz SPZYBWKTABZUIN-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)C(C)C ZINC001197018405 853049588 /nfs/dbraw/zinc/04/95/88/853049588.db2.gz SPZYBWKTABZUIN-KURKYZTESA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C(C)C ZINC001197018493 853049832 /nfs/dbraw/zinc/04/98/32/853049832.db2.gz VSBSUPPCXUMIHJ-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197948765 853190066 /nfs/dbraw/zinc/19/00/66/853190066.db2.gz LGQNNXDIHCCTOJ-JHJVBQTASA-N 2 1 355.401 0.193 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001197948765 853190067 /nfs/dbraw/zinc/19/00/67/853190067.db2.gz LGQNNXDIHCCTOJ-JHJVBQTASA-N 2 1 355.401 0.193 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)noc2CC)C[C@H]1O ZINC001198037989 853208620 /nfs/dbraw/zinc/20/86/20/853208620.db2.gz FFYAMFYQXLJRLX-HZPDHXFCSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)noc2CC)C[C@H]1O ZINC001198037989 853208631 /nfs/dbraw/zinc/20/86/31/853208631.db2.gz FFYAMFYQXLJRLX-HZPDHXFCSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2CC)C[C@H]1O ZINC001198037989 853208642 /nfs/dbraw/zinc/20/86/42/853208642.db2.gz FFYAMFYQXLJRLX-HZPDHXFCSA-N 2 1 352.479 0.939 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2CC)C[C@H]1O ZINC001198037989 853208654 /nfs/dbraw/zinc/20/86/54/853208654.db2.gz FFYAMFYQXLJRLX-HZPDHXFCSA-N 2 1 352.479 0.939 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O ZINC001198698649 853303608 /nfs/dbraw/zinc/30/36/08/853303608.db2.gz DIYPWXSEUNROGI-KBAYOESNSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O ZINC001198698648 853304140 /nfs/dbraw/zinc/30/41/40/853304140.db2.gz DIYPWXSEUNROGI-CGTJXYLNSA-N 2 1 353.507 0.696 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199017736 853355036 /nfs/dbraw/zinc/35/50/36/853355036.db2.gz LHTCZAFZNASGEM-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001199018384 853356588 /nfs/dbraw/zinc/35/65/88/853356588.db2.gz XLTBBDGWSUMART-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024004 853356901 /nfs/dbraw/zinc/35/69/01/853356901.db2.gz XLEOXJMJDZZDBS-OWCLPIDISA-N 2 1 354.495 0.068 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024004 853356905 /nfs/dbraw/zinc/35/69/05/853356905.db2.gz XLEOXJMJDZZDBS-OWCLPIDISA-N 2 1 354.495 0.068 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCOc2cccc(F)c2)C[C@H]1O ZINC001199103995 853369977 /nfs/dbraw/zinc/36/99/77/853369977.db2.gz HSGDGPLUHRASIU-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001199103995 853369986 /nfs/dbraw/zinc/36/99/86/853369986.db2.gz HSGDGPLUHRASIU-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001199103995 853369995 /nfs/dbraw/zinc/36/99/95/853369995.db2.gz HSGDGPLUHRASIU-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001199103995 853370003 /nfs/dbraw/zinc/37/00/03/853370003.db2.gz HSGDGPLUHRASIU-IAGOWNOFSA-N 2 1 353.438 0.706 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001200651555 853506966 /nfs/dbraw/zinc/50/69/66/853506966.db2.gz AMAYXPWLLNYHIT-DLBZAZTESA-N 2 1 350.507 0.824 20 0 FCADMP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787357 853511101 /nfs/dbraw/zinc/51/11/01/853511101.db2.gz SMPBYUCJPJKWGA-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787357 853511110 /nfs/dbraw/zinc/51/11/10/853511110.db2.gz SMPBYUCJPJKWGA-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCO[C@@H]3CC3(F)F)CC2)O1 ZINC001201240338 853521412 /nfs/dbraw/zinc/52/14/12/853521412.db2.gz SUDVTPIGGFVQCI-BPLDGKMQSA-N 2 1 361.433 0.710 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCO[C@@H]3CC3(F)F)CC2)O1 ZINC001201240338 853521417 /nfs/dbraw/zinc/52/14/17/853521417.db2.gz SUDVTPIGGFVQCI-BPLDGKMQSA-N 2 1 361.433 0.710 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201239311 853521767 /nfs/dbraw/zinc/52/17/67/853521767.db2.gz IZPZLCLBZQFRAO-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201239311 853521769 /nfs/dbraw/zinc/52/17/69/853521769.db2.gz IZPZLCLBZQFRAO-GDBMZVCRSA-N 2 1 354.495 0.058 20 0 FCADMP COCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205519422 853620106 /nfs/dbraw/zinc/62/01/06/853620106.db2.gz MGFGJODXYWVWIL-DLBZAZTESA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206980252 853775905 /nfs/dbraw/zinc/77/59/05/853775905.db2.gz OHMCUKWLCMQYNY-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206980252 853775906 /nfs/dbraw/zinc/77/59/06/853775906.db2.gz OHMCUKWLCMQYNY-FVQBIDKESA-N 2 1 357.520 0.199 20 0 FCADMP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001207396390 853808822 /nfs/dbraw/zinc/80/88/22/853808822.db2.gz HELBGPGSKFCCAD-LJQANCHMSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+]1CCC(C[N@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)CC1 ZINC001207393535 853808940 /nfs/dbraw/zinc/80/89/40/853808940.db2.gz BTRLVZJIIRTMQV-IIAWOOMASA-N 2 1 350.488 0.914 20 0 FCADMP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482199 853819046 /nfs/dbraw/zinc/81/90/46/853819046.db2.gz KPLXCEMOEPNSLZ-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537983 853820865 /nfs/dbraw/zinc/82/08/65/853820865.db2.gz JVELIACEEJBKDK-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537983 853820871 /nfs/dbraw/zinc/82/08/71/853820871.db2.gz JVELIACEEJBKDK-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537983 853820878 /nfs/dbraw/zinc/82/08/78/853820878.db2.gz JVELIACEEJBKDK-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537983 853820881 /nfs/dbraw/zinc/82/08/81/853820881.db2.gz JVELIACEEJBKDK-IXDOHACOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551070 853823565 /nfs/dbraw/zinc/82/35/65/853823565.db2.gz RWKQBELXUSLYHP-KBRIMQKVSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551070 853823567 /nfs/dbraw/zinc/82/35/67/853823567.db2.gz RWKQBELXUSLYHP-KBRIMQKVSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563256 853825497 /nfs/dbraw/zinc/82/54/97/853825497.db2.gz MIXCQJRMLPREJU-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207563256 853825505 /nfs/dbraw/zinc/82/55/05/853825505.db2.gz MIXCQJRMLPREJU-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207563256 853825512 /nfs/dbraw/zinc/82/55/12/853825512.db2.gz MIXCQJRMLPREJU-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207563256 853825518 /nfs/dbraw/zinc/82/55/18/853825518.db2.gz MIXCQJRMLPREJU-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001208004742 853881553 /nfs/dbraw/zinc/88/15/53/853881553.db2.gz CKONCIBHYZJRRB-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001208004742 853881558 /nfs/dbraw/zinc/88/15/58/853881558.db2.gz CKONCIBHYZJRRB-DJIMGWMZSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001208007344 853881934 /nfs/dbraw/zinc/88/19/34/853881934.db2.gz BDECXCRCBRWFST-GDBMZVCRSA-N 2 1 350.463 0.207 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001208007344 853881938 /nfs/dbraw/zinc/88/19/38/853881938.db2.gz BDECXCRCBRWFST-GDBMZVCRSA-N 2 1 350.463 0.207 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](CC1(C)CC[NH+](C)CC1)C[C@@H]2C(=O)N(C)C ZINC001208116420 853898065 /nfs/dbraw/zinc/89/80/65/853898065.db2.gz UPPUYSYFZNQKLF-MRXNPFEDSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)CS(C)(=O)=O ZINC001208434966 853933541 /nfs/dbraw/zinc/93/35/41/853933541.db2.gz LPCLOZWWJWCXLF-RBSFLKMASA-N 2 1 359.536 0.445 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)CS(C)(=O)=O ZINC001208434966 853933546 /nfs/dbraw/zinc/93/35/46/853933546.db2.gz LPCLOZWWJWCXLF-RBSFLKMASA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435110 853934433 /nfs/dbraw/zinc/93/44/33/853934433.db2.gz SQWYHMGZKODNFO-BRWVUGGUSA-N 2 1 353.507 0.960 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441420 853934877 /nfs/dbraw/zinc/93/48/77/853934877.db2.gz FVXLBEQORIWZQN-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441420 853934879 /nfs/dbraw/zinc/93/48/79/853934879.db2.gz FVXLBEQORIWZQN-BZUAXINKSA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447493 853935618 /nfs/dbraw/zinc/93/56/18/853935618.db2.gz HVUGHXFMBDRHFA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447493 853935623 /nfs/dbraw/zinc/93/56/23/853935623.db2.gz HVUGHXFMBDRHFA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496103 853943594 /nfs/dbraw/zinc/94/35/94/853943594.db2.gz JQTXDGNMGKGXBM-HLLBOEOZSA-N 2 1 353.463 0.545 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208576021 853955110 /nfs/dbraw/zinc/95/51/10/853955110.db2.gz ZLNUTVAUFCYMSO-OAGGEKHMSA-N 2 1 353.511 0.569 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611939 853960410 /nfs/dbraw/zinc/96/04/10/853960410.db2.gz YPLFQBNEJRLACJ-HKUYNNGSSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208611939 853960414 /nfs/dbraw/zinc/96/04/14/853960414.db2.gz YPLFQBNEJRLACJ-HKUYNNGSSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208611939 853960417 /nfs/dbraw/zinc/96/04/17/853960417.db2.gz YPLFQBNEJRLACJ-HKUYNNGSSA-N 2 1 352.523 0.489 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960050 853984413 /nfs/dbraw/zinc/98/44/13/853984413.db2.gz WJJUJWCSJBTMNX-IPMKNSEASA-N 2 1 353.507 0.914 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960050 853984415 /nfs/dbraw/zinc/98/44/15/853984415.db2.gz WJJUJWCSJBTMNX-IPMKNSEASA-N 2 1 353.507 0.914 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(C)=O)C3)CC[C@@H]2C1 ZINC001208960050 853984421 /nfs/dbraw/zinc/98/44/21/853984421.db2.gz WJJUJWCSJBTMNX-IPMKNSEASA-N 2 1 353.507 0.914 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514429 854033661 /nfs/dbraw/zinc/03/36/61/854033661.db2.gz KLQXUYMSHBKCQZ-OAGGEKHMSA-N 2 1 354.495 0.189 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514429 854033667 /nfs/dbraw/zinc/03/36/67/854033667.db2.gz KLQXUYMSHBKCQZ-OAGGEKHMSA-N 2 1 354.495 0.189 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001209649664 854043614 /nfs/dbraw/zinc/04/36/14/854043614.db2.gz WGHRUKINPOLIKQ-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001209649664 854043616 /nfs/dbraw/zinc/04/36/16/854043616.db2.gz WGHRUKINPOLIKQ-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210033314 854071513 /nfs/dbraw/zinc/07/15/13/854071513.db2.gz NHLFDAWVHYLGPZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210033314 854071519 /nfs/dbraw/zinc/07/15/19/854071519.db2.gz NHLFDAWVHYLGPZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210033314 854071525 /nfs/dbraw/zinc/07/15/25/854071525.db2.gz NHLFDAWVHYLGPZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001210033314 854071529 /nfs/dbraw/zinc/07/15/29/854071529.db2.gz NHLFDAWVHYLGPZ-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210033501 854072519 /nfs/dbraw/zinc/07/25/19/854072519.db2.gz QZCNFSBUVFKCHY-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210033501 854072522 /nfs/dbraw/zinc/07/25/22/854072522.db2.gz QZCNFSBUVFKCHY-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210033501 854072524 /nfs/dbraw/zinc/07/25/24/854072524.db2.gz QZCNFSBUVFKCHY-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210033501 854072527 /nfs/dbraw/zinc/07/25/27/854072527.db2.gz QZCNFSBUVFKCHY-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329892 854100374 /nfs/dbraw/zinc/10/03/74/854100374.db2.gz JRQVRIFMVQWDHR-IXDOHACOSA-N 2 1 353.507 0.552 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210513266 854115855 /nfs/dbraw/zinc/11/58/55/854115855.db2.gz GRDKONSMRHFKMS-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210513266 854115859 /nfs/dbraw/zinc/11/58/59/854115859.db2.gz GRDKONSMRHFKMS-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210513266 854115861 /nfs/dbraw/zinc/11/58/61/854115861.db2.gz GRDKONSMRHFKMS-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210513266 854115864 /nfs/dbraw/zinc/11/58/64/854115864.db2.gz GRDKONSMRHFKMS-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210529442 854116702 /nfs/dbraw/zinc/11/67/02/854116702.db2.gz VUKQHCMAMPIGAG-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210529442 854116706 /nfs/dbraw/zinc/11/67/06/854116706.db2.gz VUKQHCMAMPIGAG-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001210529442 854116710 /nfs/dbraw/zinc/11/67/10/854116710.db2.gz VUKQHCMAMPIGAG-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211024870 854147570 /nfs/dbraw/zinc/14/75/70/854147570.db2.gz AVQTZGQESRPCNA-QLFBSQMISA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211024870 854147577 /nfs/dbraw/zinc/14/75/77/854147577.db2.gz AVQTZGQESRPCNA-QLFBSQMISA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211024870 854147582 /nfs/dbraw/zinc/14/75/82/854147582.db2.gz AVQTZGQESRPCNA-QLFBSQMISA-N 2 1 353.511 0.472 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001211038076 854149299 /nfs/dbraw/zinc/14/92/99/854149299.db2.gz CUABPVBSBKQTCP-DJIMGWMZSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001211038076 854149303 /nfs/dbraw/zinc/14/93/03/854149303.db2.gz CUABPVBSBKQTCP-DJIMGWMZSA-N 2 1 352.479 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299897 854174740 /nfs/dbraw/zinc/17/47/40/854174740.db2.gz AYTRJZPNOJBZKN-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001211350724 854180230 /nfs/dbraw/zinc/18/02/30/854180230.db2.gz VWHGWKNSFYRRRA-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371037 854182732 /nfs/dbraw/zinc/18/27/32/854182732.db2.gz IXASISSXSINKES-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371037 854182736 /nfs/dbraw/zinc/18/27/36/854182736.db2.gz IXASISSXSINKES-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001211371037 854182739 /nfs/dbraw/zinc/18/27/39/854182739.db2.gz IXASISSXSINKES-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444074 854199855 /nfs/dbraw/zinc/19/98/55/854199855.db2.gz NGKHXMPIMOOMSB-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444102 854200380 /nfs/dbraw/zinc/20/03/80/854200380.db2.gz OTBYPDSDXZBJQG-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCOC)C[C@H]2OC)CC[N@H+]1C ZINC001212299938 854432672 /nfs/dbraw/zinc/43/26/72/854432672.db2.gz RAGDJRRUDCWTCH-YLFCFFPRSA-N 2 1 357.495 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@H]2OC)CC[NH+]1C ZINC001212299938 854432673 /nfs/dbraw/zinc/43/26/73/854432673.db2.gz RAGDJRRUDCWTCH-YLFCFFPRSA-N 2 1 357.495 0.195 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2OC)CC[NH+]1C ZINC001212299938 854432674 /nfs/dbraw/zinc/43/26/74/854432674.db2.gz RAGDJRRUDCWTCH-YLFCFFPRSA-N 2 1 357.495 0.195 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212353583 854448412 /nfs/dbraw/zinc/44/84/12/854448412.db2.gz VXMKXGLFJRXBET-BZUAXINKSA-N 2 1 363.474 0.145 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001212353583 854448416 /nfs/dbraw/zinc/44/84/16/854448416.db2.gz VXMKXGLFJRXBET-BZUAXINKSA-N 2 1 363.474 0.145 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212453008 854485008 /nfs/dbraw/zinc/48/50/08/854485008.db2.gz OJTJZKOVGWPHIY-GVDBMIGSSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495313 854501329 /nfs/dbraw/zinc/50/13/29/854501329.db2.gz BTXRSXNGFYXWRB-DJIMGWMZSA-N 2 1 350.463 0.758 20 0 FCADMP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CC1 ZINC001213166529 854520221 /nfs/dbraw/zinc/52/02/21/854520221.db2.gz UFVMLIHCBAURGZ-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CC1 ZINC001213166529 854520225 /nfs/dbraw/zinc/52/02/25/854520225.db2.gz UFVMLIHCBAURGZ-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCc1nccn1C ZINC001213203837 854532135 /nfs/dbraw/zinc/53/21/35/854532135.db2.gz ZDUKVNLRLGBQLW-BZUAXINKSA-N 2 1 350.463 0.595 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342051 854581739 /nfs/dbraw/zinc/58/17/39/854581739.db2.gz DQCVXNFXLNTRHX-YNEHKIRRSA-N 2 1 367.412 0.457 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342051 854581743 /nfs/dbraw/zinc/58/17/43/854581743.db2.gz DQCVXNFXLNTRHX-YNEHKIRRSA-N 2 1 367.412 0.457 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@H](OC)C1 ZINC001213457930 854625359 /nfs/dbraw/zinc/62/53/59/854625359.db2.gz HYTMQCAQMFURMW-KCYZZUKISA-N 2 1 350.463 0.766 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213599143 854680563 /nfs/dbraw/zinc/68/05/63/854680563.db2.gz UQFMHWVCVHWJMV-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213599145 854680779 /nfs/dbraw/zinc/68/07/79/854680779.db2.gz UQFMHWVCVHWJMV-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729957 854739259 /nfs/dbraw/zinc/73/92/59/854739259.db2.gz ABMGINJLSBOYNV-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001213763487 854756911 /nfs/dbraw/zinc/75/69/11/854756911.db2.gz VNSDTZSUITYKTL-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001213763487 854756917 /nfs/dbraw/zinc/75/69/17/854756917.db2.gz VNSDTZSUITYKTL-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001213763487 854756925 /nfs/dbraw/zinc/75/69/25/854756925.db2.gz VNSDTZSUITYKTL-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001213763487 854756932 /nfs/dbraw/zinc/75/69/32/854756932.db2.gz VNSDTZSUITYKTL-IAGOWNOFSA-N 2 1 351.495 0.776 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763292 854757488 /nfs/dbraw/zinc/75/74/88/854757488.db2.gz NBZFNZTZTYJFCD-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763292 854757489 /nfs/dbraw/zinc/75/74/89/854757489.db2.gz NBZFNZTZTYJFCD-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763292 854757490 /nfs/dbraw/zinc/75/74/90/854757490.db2.gz NBZFNZTZTYJFCD-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001213763292 854757492 /nfs/dbraw/zinc/75/74/92/854757492.db2.gz NBZFNZTZTYJFCD-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213769271 854760548 /nfs/dbraw/zinc/76/05/48/854760548.db2.gz MSFWBNXYTCSKDA-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213769271 854760552 /nfs/dbraw/zinc/76/05/52/854760552.db2.gz MSFWBNXYTCSKDA-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213769271 854760556 /nfs/dbraw/zinc/76/05/56/854760556.db2.gz MSFWBNXYTCSKDA-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213767392 854760593 /nfs/dbraw/zinc/76/05/93/854760593.db2.gz RBUQYPRNUUOKTK-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213767392 854760598 /nfs/dbraw/zinc/76/05/98/854760598.db2.gz RBUQYPRNUUOKTK-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213767392 854760602 /nfs/dbraw/zinc/76/06/02/854760602.db2.gz RBUQYPRNUUOKTK-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001213767392 854760605 /nfs/dbraw/zinc/76/06/05/854760605.db2.gz RBUQYPRNUUOKTK-IAGOWNOFSA-N 2 1 351.495 0.657 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863125 854797223 /nfs/dbraw/zinc/79/72/23/854797223.db2.gz FBAQAMLUSKSYIQ-CGTJXYLNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC001214389136 854937815 /nfs/dbraw/zinc/93/78/15/854937815.db2.gz QDRRRIRFTKAKJB-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC001214389136 854937824 /nfs/dbraw/zinc/93/78/24/854937824.db2.gz QDRRRIRFTKAKJB-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCOCC(F)(F)F ZINC001214388812 854938141 /nfs/dbraw/zinc/93/81/41/854938141.db2.gz KPMFYRUZHAHSFE-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCOCC(F)(F)F ZINC001214388812 854938142 /nfs/dbraw/zinc/93/81/42/854938142.db2.gz KPMFYRUZHAHSFE-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C)nn1 ZINC001214755196 855002277 /nfs/dbraw/zinc/00/22/77/855002277.db2.gz VLRGNGMUYXBKJP-FVQBIDKESA-N 2 1 354.474 0.914 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C2)C1 ZINC001214845227 855021144 /nfs/dbraw/zinc/02/11/44/855021144.db2.gz KMJSEBGQZXDIKG-BRWVUGGUSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214855977 855024967 /nfs/dbraw/zinc/02/49/67/855024967.db2.gz SYNWOBCNNCYDGA-RBSFLKMASA-N 2 1 368.503 0.632 20 0 FCADMP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214863409 855025964 /nfs/dbraw/zinc/02/59/64/855025964.db2.gz LVKSXPFYBRCJOE-JKIFEVAISA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861431 855026026 /nfs/dbraw/zinc/02/60/26/855026026.db2.gz UAVJOXOXUGUVEC-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214973288 855043248 /nfs/dbraw/zinc/04/32/48/855043248.db2.gz QHLMDPRZCBQHJN-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001215156061 855074382 /nfs/dbraw/zinc/07/43/82/855074382.db2.gz WDICTYWOOJMEBV-ZYHUDNBSSA-N 2 1 361.368 0.307 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215224086 855083339 /nfs/dbraw/zinc/08/33/39/855083339.db2.gz HPNFUFOSVVCNCM-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215396901 855109930 /nfs/dbraw/zinc/10/99/30/855109930.db2.gz IXTVRBSWBFDQDO-YQFWSFKMSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215536046 855125334 /nfs/dbraw/zinc/12/53/34/855125334.db2.gz FOEYHVGVYTWYTD-HLLBOEOZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001215539984 855126455 /nfs/dbraw/zinc/12/64/55/855126455.db2.gz FWRHEGGMUUHRKA-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215536639 855126641 /nfs/dbraw/zinc/12/66/41/855126641.db2.gz WKVLTRBQKOBMII-JHJVBQTASA-N 2 1 366.491 0.397 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001215568063 855128992 /nfs/dbraw/zinc/12/89/92/855128992.db2.gz KTLAPLIDLKTILL-HUUCEWRRSA-N 2 1 353.511 0.426 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001215567647 855129060 /nfs/dbraw/zinc/12/90/60/855129060.db2.gz BXRWCDSEBSPHPQ-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001215567647 855129061 /nfs/dbraw/zinc/12/90/61/855129061.db2.gz BXRWCDSEBSPHPQ-HZSPNIEDSA-N 2 1 351.499 0.686 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001215729500 855139513 /nfs/dbraw/zinc/13/95/13/855139513.db2.gz ZNHVJFDLQKLTKZ-HUUCEWRRSA-N 2 1 370.519 0.878 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216225167 855180478 /nfs/dbraw/zinc/18/04/78/855180478.db2.gz AVZKPSVGWMAXAQ-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001216382834 855196478 /nfs/dbraw/zinc/19/64/78/855196478.db2.gz DNYLRNVFFZAACQ-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001216490594 855207354 /nfs/dbraw/zinc/20/73/54/855207354.db2.gz GCKPZPRQBJUYCG-BRWVUGGUSA-N 2 1 351.495 0.412 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216503649 855208677 /nfs/dbraw/zinc/20/86/77/855208677.db2.gz TZPXEYBSJFSISA-GDBMZVCRSA-N 2 1 350.463 0.674 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216511342 855209603 /nfs/dbraw/zinc/20/96/03/855209603.db2.gz OHCICSZGAYOIQB-HUUCEWRRSA-N 2 1 355.527 0.862 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216511388 855209796 /nfs/dbraw/zinc/20/97/96/855209796.db2.gz QLDLHJMLNIQJBH-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001216752397 855231945 /nfs/dbraw/zinc/23/19/45/855231945.db2.gz NIUSSJXEKCZLAK-FRRDWIJNSA-N 2 1 364.412 0.395 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216754017 855232720 /nfs/dbraw/zinc/23/27/20/855232720.db2.gz DQSOWNWQAFGBCT-QLFBSQMISA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216754457 855232784 /nfs/dbraw/zinc/23/27/84/855232784.db2.gz VPIMUOJGLYLLLQ-GRYCIOLGSA-N 2 1 350.385 0.053 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnc([C@H](N)CN3CCC([NH3+])CC3)o2)C[C@@H](C)O1 ZINC001217757394 855373068 /nfs/dbraw/zinc/37/30/68/855373068.db2.gz LHEZJASPSVGFHF-UMVBOHGHSA-N 2 1 352.483 0.144 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109021 855398591 /nfs/dbraw/zinc/39/85/91/855398591.db2.gz KLEVMKHRIHDRTH-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109021 855398597 /nfs/dbraw/zinc/39/85/97/855398597.db2.gz KLEVMKHRIHDRTH-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218109021 855398608 /nfs/dbraw/zinc/39/86/08/855398608.db2.gz KLEVMKHRIHDRTH-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218109021 855398614 /nfs/dbraw/zinc/39/86/14/855398614.db2.gz KLEVMKHRIHDRTH-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]32)CC1 ZINC001218550693 855437426 /nfs/dbraw/zinc/43/74/26/855437426.db2.gz JXAINPLPZVDRSX-JKSUJKDBSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]32)CC1 ZINC001218550693 855437433 /nfs/dbraw/zinc/43/74/33/855437433.db2.gz JXAINPLPZVDRSX-JKSUJKDBSA-N 2 1 364.515 0.939 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001218624947 855452460 /nfs/dbraw/zinc/45/24/60/855452460.db2.gz YQKPGGQEGWELLO-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001218624947 855452465 /nfs/dbraw/zinc/45/24/65/855452465.db2.gz YQKPGGQEGWELLO-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001218624947 855452472 /nfs/dbraw/zinc/45/24/72/855452472.db2.gz YQKPGGQEGWELLO-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001218624947 855452475 /nfs/dbraw/zinc/45/24/75/855452475.db2.gz YQKPGGQEGWELLO-IXDOHACOSA-N 2 1 355.479 0.045 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21 ZINC001218629870 855453783 /nfs/dbraw/zinc/45/37/83/855453783.db2.gz AKCUDFLDGFTAQO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21 ZINC001218629870 855453787 /nfs/dbraw/zinc/45/37/87/855453787.db2.gz AKCUDFLDGFTAQO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001218629870 855453789 /nfs/dbraw/zinc/45/37/89/855453789.db2.gz AKCUDFLDGFTAQO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001218629870 855453792 /nfs/dbraw/zinc/45/37/92/855453792.db2.gz AKCUDFLDGFTAQO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP [NH3+]CCC[NH2+]CC(=O)Nc1cc(I)c2nccn2c1 ZINC001218674865 855461457 /nfs/dbraw/zinc/46/14/57/855461457.db2.gz IHOYOHYJNQWKMR-UHFFFAOYSA-N 2 1 373.198 0.816 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789399 855479013 /nfs/dbraw/zinc/47/90/13/855479013.db2.gz JPPSDBUEMVDOHU-BHYGNILZSA-N 2 1 350.463 0.918 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789399 855479015 /nfs/dbraw/zinc/47/90/15/855479015.db2.gz JPPSDBUEMVDOHU-BHYGNILZSA-N 2 1 350.463 0.918 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001219001281 855509299 /nfs/dbraw/zinc/50/92/99/855509299.db2.gz VSFLYIQEXKGIFM-LSDHHAIUSA-N 2 1 363.449 0.912 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001219001281 855509303 /nfs/dbraw/zinc/50/93/03/855509303.db2.gz VSFLYIQEXKGIFM-LSDHHAIUSA-N 2 1 363.449 0.912 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031758 855517650 /nfs/dbraw/zinc/51/76/50/855517650.db2.gz ANEVWEZVZCIZEI-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031758 855517656 /nfs/dbraw/zinc/51/76/56/855517656.db2.gz ANEVWEZVZCIZEI-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031758 855517661 /nfs/dbraw/zinc/51/76/61/855517661.db2.gz ANEVWEZVZCIZEI-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031758 855517665 /nfs/dbraw/zinc/51/76/65/855517665.db2.gz ANEVWEZVZCIZEI-OKZBNKHCSA-N 2 1 351.491 0.666 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219643206 855752647 /nfs/dbraw/zinc/75/26/47/855752647.db2.gz KCZKOWIXQOCNFC-KURKYZTESA-N 2 1 351.491 0.306 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219643206 855752651 /nfs/dbraw/zinc/75/26/51/855752651.db2.gz KCZKOWIXQOCNFC-KURKYZTESA-N 2 1 351.491 0.306 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219652307 855756215 /nfs/dbraw/zinc/75/62/15/855756215.db2.gz PRTANFZTCKVJBF-KURKYZTESA-N 2 1 353.507 0.552 20 0 FCADMP CO[C@H]([C@@H](C)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC001219795761 855816665 /nfs/dbraw/zinc/81/66/65/855816665.db2.gz FQLGLCPGKPEYPX-FHLIZLRMSA-N 2 1 352.523 0.722 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@@H]1O ZINC001219903239 855872139 /nfs/dbraw/zinc/87/21/39/855872139.db2.gz WDBBIUJENICEKJ-CABCVRRESA-N 2 1 354.520 0.886 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCc2csc(C)n2)C[C@@H]1O ZINC001219903239 855872142 /nfs/dbraw/zinc/87/21/42/855872142.db2.gz WDBBIUJENICEKJ-CABCVRRESA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@@H]1O ZINC001219903239 855872146 /nfs/dbraw/zinc/87/21/46/855872146.db2.gz WDBBIUJENICEKJ-CABCVRRESA-N 2 1 354.520 0.886 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@@H]1O ZINC001219903239 855872150 /nfs/dbraw/zinc/87/21/50/855872150.db2.gz WDBBIUJENICEKJ-CABCVRRESA-N 2 1 354.520 0.886 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C2)cn1 ZINC001219903090 855872249 /nfs/dbraw/zinc/87/22/49/855872249.db2.gz SKAYKAKQMUFJHY-CVEARBPZSA-N 2 1 351.495 0.337 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C2)cn1 ZINC001219903090 855872253 /nfs/dbraw/zinc/87/22/53/855872253.db2.gz SKAYKAKQMUFJHY-CVEARBPZSA-N 2 1 351.495 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C2)cn1 ZINC001219903090 855872255 /nfs/dbraw/zinc/87/22/55/855872255.db2.gz SKAYKAKQMUFJHY-CVEARBPZSA-N 2 1 351.495 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C2)cn1 ZINC001219903090 855872258 /nfs/dbraw/zinc/87/22/58/855872258.db2.gz SKAYKAKQMUFJHY-CVEARBPZSA-N 2 1 351.495 0.337 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919737 855878504 /nfs/dbraw/zinc/87/85/04/855878504.db2.gz LBNNTDMNKHXBMP-UAGQMJEPSA-N 2 1 350.463 0.230 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919736 855878665 /nfs/dbraw/zinc/87/86/65/855878665.db2.gz LBNNTDMNKHXBMP-OIISXLGYSA-N 2 1 350.463 0.230 20 0 FCADMP CS(=O)(=O)N(C(=O)c1ccc([C@@H]([NH3+])CN)cc1)c1ccc(C[NH3+])cc1 ZINC001219939132 855888729 /nfs/dbraw/zinc/88/87/29/855888729.db2.gz SGKNHAFACGKKDB-INIZCTEOSA-N 2 1 362.455 0.710 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220011523 855918231 /nfs/dbraw/zinc/91/82/31/855918231.db2.gz VKJATEIIEGCEIC-OLZOCXBDSA-N 2 1 364.368 0.322 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220011523 855918239 /nfs/dbraw/zinc/91/82/39/855918239.db2.gz VKJATEIIEGCEIC-OLZOCXBDSA-N 2 1 364.368 0.322 20 0 FCADMP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CCC([NH3+])CC1 ZINC001220039841 855929528 /nfs/dbraw/zinc/92/95/28/855929528.db2.gz VNHRWJZJUPYLQG-XKZABGERSA-N 2 1 351.451 0.378 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387780 856100551 /nfs/dbraw/zinc/10/05/51/856100551.db2.gz QFRUTFNJUWACBE-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478851 856146517 /nfs/dbraw/zinc/14/65/17/856146517.db2.gz NHHGISUXNFLLRV-MSOLQXFVSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517073 856163430 /nfs/dbraw/zinc/16/34/30/856163430.db2.gz UTHBPOVSUXOFIP-SJORKVTESA-N 2 1 351.495 0.656 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001220568352 856188900 /nfs/dbraw/zinc/18/89/00/856188900.db2.gz IPXJGNAWKHEGDD-SJORKVTESA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001220568352 856188910 /nfs/dbraw/zinc/18/89/10/856188910.db2.gz IPXJGNAWKHEGDD-SJORKVTESA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220568352 856188918 /nfs/dbraw/zinc/18/89/18/856188918.db2.gz IPXJGNAWKHEGDD-SJORKVTESA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220568352 856188928 /nfs/dbraw/zinc/18/89/28/856188928.db2.gz IPXJGNAWKHEGDD-SJORKVTESA-N 2 1 351.495 0.557 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001220568682 856189284 /nfs/dbraw/zinc/18/92/84/856189284.db2.gz YWGBWJCWFDLKDZ-CABCVRRESA-N 2 1 365.465 0.942 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001220568682 856189287 /nfs/dbraw/zinc/18/92/87/856189287.db2.gz YWGBWJCWFDLKDZ-CABCVRRESA-N 2 1 365.465 0.942 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220568682 856189290 /nfs/dbraw/zinc/18/92/90/856189290.db2.gz YWGBWJCWFDLKDZ-CABCVRRESA-N 2 1 365.465 0.942 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220568682 856189293 /nfs/dbraw/zinc/18/92/93/856189293.db2.gz YWGBWJCWFDLKDZ-CABCVRRESA-N 2 1 365.465 0.942 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001220768220 856289028 /nfs/dbraw/zinc/28/90/28/856289028.db2.gz AVWCKSIQHZTRFL-CABCVRRESA-N 2 1 363.449 0.551 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800697 856306355 /nfs/dbraw/zinc/30/63/55/856306355.db2.gz UFCMLDBRRINPRL-RWMBFGLXSA-N 3 1 364.412 0.096 20 0 FCADMP CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800697 856306364 /nfs/dbraw/zinc/30/63/64/856306364.db2.gz UFCMLDBRRINPRL-RWMBFGLXSA-N 2 1 364.412 0.096 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001220849846 856336830 /nfs/dbraw/zinc/33/68/30/856336830.db2.gz SBEWURGSPACPJT-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001220849846 856336833 /nfs/dbraw/zinc/33/68/33/856336833.db2.gz SBEWURGSPACPJT-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001220849846 856336837 /nfs/dbraw/zinc/33/68/37/856336837.db2.gz SBEWURGSPACPJT-KRWDZBQOSA-N 2 1 355.527 0.158 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)c1 ZINC001220911014 856370658 /nfs/dbraw/zinc/37/06/58/856370658.db2.gz CJOWLTQMRIJYKL-DOTOQJQBSA-N 2 1 351.422 0.495 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994208 856411736 /nfs/dbraw/zinc/41/17/36/856411736.db2.gz GRSJXZDPDZAXDE-SJORKVTESA-N 2 1 357.495 0.077 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220994392 856413720 /nfs/dbraw/zinc/41/37/20/856413720.db2.gz OQEJINYEGIIGTF-KURKYZTESA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221073239 856448178 /nfs/dbraw/zinc/44/81/78/856448178.db2.gz MCMTXUVXXGCGTF-MJBXVCDLSA-N 2 1 367.412 0.337 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001221073239 856448184 /nfs/dbraw/zinc/44/81/84/856448184.db2.gz MCMTXUVXXGCGTF-MJBXVCDLSA-N 2 1 367.412 0.337 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221254375 856530900 /nfs/dbraw/zinc/53/09/00/856530900.db2.gz NAMCWKIRRALJPN-KKUMJFAQSA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001221357086 856555044 /nfs/dbraw/zinc/55/50/44/856555044.db2.gz GMWDTSLVORTRCO-GJZGRUSLSA-N 2 1 354.495 0.189 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@@]1(N)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001221414038 856560259 /nfs/dbraw/zinc/56/02/59/856560259.db2.gz SBEPWRSOWKPRJX-DOTOQJQBSA-N 2 1 354.882 0.766 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407868 856560787 /nfs/dbraw/zinc/56/07/87/856560787.db2.gz FFUDXPCSXUVKOY-QPSCCSFWSA-N 2 1 354.495 0.532 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560933 856605788 /nfs/dbraw/zinc/60/57/88/856605788.db2.gz PRIHPYWITCUZHP-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560933 856605793 /nfs/dbraw/zinc/60/57/93/856605793.db2.gz PRIHPYWITCUZHP-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560933 856605795 /nfs/dbraw/zinc/60/57/95/856605795.db2.gz PRIHPYWITCUZHP-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560933 856605799 /nfs/dbraw/zinc/60/57/99/856605799.db2.gz PRIHPYWITCUZHP-QBPKDAKJSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)CC)C[C@H]32)CC[N@@H+]1C ZINC001221561079 856607411 /nfs/dbraw/zinc/60/74/11/856607411.db2.gz XDYPYFOWDZHJSP-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)CC)C[C@H]32)CC[N@H+]1C ZINC001221561079 856607415 /nfs/dbraw/zinc/60/74/15/856607415.db2.gz XDYPYFOWDZHJSP-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)CC)C[C@H]32)CC[NH+]1C ZINC001221561079 856607422 /nfs/dbraw/zinc/60/74/22/856607422.db2.gz XDYPYFOWDZHJSP-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)CC)C[C@H]32)CC[NH+]1C ZINC001221561079 856607429 /nfs/dbraw/zinc/60/74/29/856607429.db2.gz XDYPYFOWDZHJSP-YYIAUSFCSA-N 2 1 350.507 0.728 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642649 856636422 /nfs/dbraw/zinc/63/64/22/856636422.db2.gz BXQYDMNJTUGIGV-BRWVUGGUSA-N 2 1 351.491 0.402 20 0 FCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]3C2)C1=O ZINC001221657508 856642674 /nfs/dbraw/zinc/64/26/74/856642674.db2.gz YULMTTYBKDUPMZ-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]3C2)C1=O ZINC001221657508 856642679 /nfs/dbraw/zinc/64/26/79/856642679.db2.gz YULMTTYBKDUPMZ-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]3C2)C1=O ZINC001221657508 856642683 /nfs/dbraw/zinc/64/26/83/856642683.db2.gz YULMTTYBKDUPMZ-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]3C2)C1=O ZINC001221657508 856642687 /nfs/dbraw/zinc/64/26/87/856642687.db2.gz YULMTTYBKDUPMZ-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221762337 856674658 /nfs/dbraw/zinc/67/46/58/856674658.db2.gz YPCZMTZVPTWZCK-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)C1 ZINC001221762337 856674664 /nfs/dbraw/zinc/67/46/64/856674664.db2.gz YPCZMTZVPTWZCK-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001221762337 856674670 /nfs/dbraw/zinc/67/46/70/856674670.db2.gz YPCZMTZVPTWZCK-FGTMMUONSA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777183 856678980 /nfs/dbraw/zinc/67/89/80/856678980.db2.gz VZDCXTJPGVBLTC-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777183 856678985 /nfs/dbraw/zinc/67/89/85/856678985.db2.gz VZDCXTJPGVBLTC-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818396 856698823 /nfs/dbraw/zinc/69/88/23/856698823.db2.gz VOGBCJCEESIDJR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818396 856698825 /nfs/dbraw/zinc/69/88/25/856698825.db2.gz VOGBCJCEESIDJR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818396 856698828 /nfs/dbraw/zinc/69/88/28/856698828.db2.gz VOGBCJCEESIDJR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001221818396 856698830 /nfs/dbraw/zinc/69/88/30/856698830.db2.gz VOGBCJCEESIDJR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920492 856734893 /nfs/dbraw/zinc/73/48/93/856734893.db2.gz IFROUBNGQZKPIJ-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920492 856734897 /nfs/dbraw/zinc/73/48/97/856734897.db2.gz IFROUBNGQZKPIJ-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920492 856734900 /nfs/dbraw/zinc/73/49/00/856734900.db2.gz IFROUBNGQZKPIJ-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221920492 856734906 /nfs/dbraw/zinc/73/49/06/856734906.db2.gz IFROUBNGQZKPIJ-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001221950321 856746144 /nfs/dbraw/zinc/74/61/44/856746144.db2.gz BMCDBRQYRWVHBA-HZPDHXFCSA-N 2 1 350.463 0.902 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001221950321 856746151 /nfs/dbraw/zinc/74/61/51/856746151.db2.gz BMCDBRQYRWVHBA-HZPDHXFCSA-N 2 1 350.463 0.902 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221962434 856750875 /nfs/dbraw/zinc/75/08/75/856750875.db2.gz CVYPUEZLRGJFRD-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221962568 856751275 /nfs/dbraw/zinc/75/12/75/856751275.db2.gz LAMZKJVLDACJJG-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221962568 856751279 /nfs/dbraw/zinc/75/12/79/856751279.db2.gz LAMZKJVLDACJJG-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046861 856784452 /nfs/dbraw/zinc/78/44/52/856784452.db2.gz ZUTNDISFYZSCOZ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046861 856784456 /nfs/dbraw/zinc/78/44/56/856784456.db2.gz ZUTNDISFYZSCOZ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)COCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489576 856846067 /nfs/dbraw/zinc/84/60/67/856846067.db2.gz XLVWPGDRKIXARJ-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489576 856846071 /nfs/dbraw/zinc/84/60/71/856846071.db2.gz XLVWPGDRKIXARJ-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489576 856846081 /nfs/dbraw/zinc/84/60/81/856846081.db2.gz XLVWPGDRKIXARJ-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489576 856846085 /nfs/dbraw/zinc/84/60/85/856846085.db2.gz XLVWPGDRKIXARJ-FGTMMUONSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222788774 856872385 /nfs/dbraw/zinc/87/23/85/856872385.db2.gz ARSUGEGIMZHCDP-IKGGRYGDSA-N 2 1 359.486 0.598 20 0 FCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976496 856886767 /nfs/dbraw/zinc/88/67/67/856886767.db2.gz QZZGUIUSQNJRKR-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001222976496 856886773 /nfs/dbraw/zinc/88/67/73/856886773.db2.gz QZZGUIUSQNJRKR-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222976496 856886778 /nfs/dbraw/zinc/88/67/78/856886778.db2.gz QZZGUIUSQNJRKR-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222976496 856886783 /nfs/dbraw/zinc/88/67/83/856886783.db2.gz QZZGUIUSQNJRKR-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001223057843 856892817 /nfs/dbraw/zinc/89/28/17/856892817.db2.gz CGQPPFNAHRKDAL-SJORKVTESA-N 2 1 351.491 0.547 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223379109 856912190 /nfs/dbraw/zinc/91/21/90/856912190.db2.gz QHOWEMWMBYDEBY-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223379109 856912197 /nfs/dbraw/zinc/91/21/97/856912197.db2.gz QHOWEMWMBYDEBY-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223392810 856913204 /nfs/dbraw/zinc/91/32/04/856913204.db2.gz DHIWDIBVDDYLQA-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223424913 856914739 /nfs/dbraw/zinc/91/47/39/856914739.db2.gz JBKZHNBOGOJRKZ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223837936 856945413 /nfs/dbraw/zinc/94/54/13/856945413.db2.gz CVFGWGMGJJPCNK-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223837936 856945422 /nfs/dbraw/zinc/94/54/22/856945422.db2.gz CVFGWGMGJJPCNK-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001223837936 856945431 /nfs/dbraw/zinc/94/54/31/856945431.db2.gz CVFGWGMGJJPCNK-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985196 856953654 /nfs/dbraw/zinc/95/36/54/856953654.db2.gz SDMASSMSXITORS-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985196 856953663 /nfs/dbraw/zinc/95/36/63/856953663.db2.gz SDMASSMSXITORS-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985196 856953669 /nfs/dbraw/zinc/95/36/69/856953669.db2.gz SDMASSMSXITORS-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001223985196 856953674 /nfs/dbraw/zinc/95/36/74/856953674.db2.gz SDMASSMSXITORS-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)CS(C)(=O)=O ZINC001224139847 856961821 /nfs/dbraw/zinc/96/18/21/856961821.db2.gz DPNAQOCZRDWUJY-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H](C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21)CS(C)(=O)=O ZINC001224139847 856961826 /nfs/dbraw/zinc/96/18/26/856961826.db2.gz DPNAQOCZRDWUJY-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001225525486 857047207 /nfs/dbraw/zinc/04/72/07/857047207.db2.gz RFNGGELYBZMRIP-KFWWJZLASA-N 2 1 354.495 0.249 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001225525486 857047215 /nfs/dbraw/zinc/04/72/15/857047215.db2.gz RFNGGELYBZMRIP-KFWWJZLASA-N 2 1 354.495 0.249 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524758 857047358 /nfs/dbraw/zinc/04/73/58/857047358.db2.gz KBSGBEHEHLAAHE-BZUAXINKSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524758 857047366 /nfs/dbraw/zinc/04/73/66/857047366.db2.gz KBSGBEHEHLAAHE-BZUAXINKSA-N 2 1 354.495 0.201 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525764 857047578 /nfs/dbraw/zinc/04/75/78/857047578.db2.gz USBLYGJTIZHHHK-OAGGEKHMSA-N 2 1 354.495 0.250 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525764 857047582 /nfs/dbraw/zinc/04/75/82/857047582.db2.gz USBLYGJTIZHHHK-OAGGEKHMSA-N 2 1 354.495 0.250 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226615572 857115115 /nfs/dbraw/zinc/11/51/15/857115115.db2.gz YHLQUHJSSJQQHR-MGPQQGTHSA-N 2 1 353.467 0.073 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001226773143 857124727 /nfs/dbraw/zinc/12/47/27/857124727.db2.gz DDIGSOBJSBGEOL-BZUAXINKSA-N 2 1 350.463 0.786 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028211 857138486 /nfs/dbraw/zinc/13/84/86/857138486.db2.gz CTDPPHVSJUJFQY-KLHDSHLOSA-N 2 1 354.495 0.201 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028211 857138488 /nfs/dbraw/zinc/13/84/88/857138488.db2.gz CTDPPHVSJUJFQY-KLHDSHLOSA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C)[NH+](CC)CC ZINC001228559845 857215659 /nfs/dbraw/zinc/21/56/59/857215659.db2.gz ZTTYUBVDIPNPPZ-RBSFLKMASA-N 2 1 351.499 0.848 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1)C(N)=O ZINC001229136301 857253390 /nfs/dbraw/zinc/25/33/90/857253390.db2.gz ZOLQMFWPSCOJID-ARFHVFGLSA-N 2 1 354.495 0.380 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001229852372 857290534 /nfs/dbraw/zinc/29/05/34/857290534.db2.gz FQMZDRRCAUKBAC-KFWWJZLASA-N 2 1 352.479 0.541 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2=O)C1 ZINC001230141391 857306952 /nfs/dbraw/zinc/30/69/52/857306952.db2.gz JAQDSVRAVYXYFH-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP Cn1ncc(I)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234988974 857416728 /nfs/dbraw/zinc/41/67/28/857416728.db2.gz KMSLEUFVAUOGAX-LBPRGKRZSA-N 2 1 361.231 0.162 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236201539 857437190 /nfs/dbraw/zinc/43/71/90/857437190.db2.gz MGXABDDCEVWFPP-PBHICJAKSA-N 2 1 350.438 0.652 20 0 FCADMP N[C@H]1NC(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385760 857440719 /nfs/dbraw/zinc/44/07/19/857440719.db2.gz FZGFSKRVWRAMEY-KRWDZBQOSA-N 2 1 355.552 0.430 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001239103602 857513744 /nfs/dbraw/zinc/51/37/44/857513744.db2.gz GZVQFNRQORHHAF-UHFFFAOYSA-N 2 1 359.249 0.785 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030064 857565715 /nfs/dbraw/zinc/56/57/15/857565715.db2.gz CAWOKXJBPGJIGU-CABCVRRESA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030064 857565721 /nfs/dbraw/zinc/56/57/21/857565721.db2.gz CAWOKXJBPGJIGU-CABCVRRESA-N 3 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@]12CNC[C@]1(C(F)(F)F)C[N@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030064 857565732 /nfs/dbraw/zinc/56/57/32/857565732.db2.gz CAWOKXJBPGJIGU-CABCVRRESA-N 2 1 365.396 0.118 20 0 FCADMP CCOC(=O)[C@]12CNC[C@]1(C(F)(F)F)C[N@@H+](CC1(O)CC[NH2+]CC1)C2 ZINC001246030064 857565741 /nfs/dbraw/zinc/56/57/41/857565741.db2.gz CAWOKXJBPGJIGU-CABCVRRESA-N 2 1 365.396 0.118 20 0 FCADMP COC(=O)[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@@H]1C(=O)OC ZINC001246138159 857568992 /nfs/dbraw/zinc/56/89/92/857568992.db2.gz ATXOHVHWXQHQRU-APIJFGDWSA-N 2 1 353.463 0.191 20 0 FCADMP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246254582 857571067 /nfs/dbraw/zinc/57/10/67/857571067.db2.gz HOZPYRCZKDZMDA-XJKCOSOUSA-N 2 1 351.447 0.584 20 0 FCADMP CC(C)[C@@H]1C[C@H](NCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215904 857571418 /nfs/dbraw/zinc/57/14/18/857571418.db2.gz KTPWMTCPZFBAES-MSOLQXFVSA-N 2 1 361.527 0.378 20 0 FCADMP [NH3+]CCOCCOCCOCCOCCN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246214951 857571679 /nfs/dbraw/zinc/57/16/79/857571679.db2.gz GYGHQLKIZAHDIK-QGZVFWFLSA-N 2 1 359.511 0.276 20 0 FCADMP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246254580 857571633 /nfs/dbraw/zinc/57/16/33/857571633.db2.gz HOZPYRCZKDZMDA-WWGRRREGSA-N 2 1 351.447 0.584 20 0 FCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246523103 857583797 /nfs/dbraw/zinc/58/37/97/857583797.db2.gz MLSSNSCXIFVNML-AJNGGQMLSA-N 2 1 358.552 0.854 20 0 FCADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1 ZINC001246652387 857588283 /nfs/dbraw/zinc/58/82/83/857588283.db2.gz OMSVITTUWXQTKY-GLJUWKHASA-N 2 1 352.479 0.003 20 0 FCADMP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246748672 857596950 /nfs/dbraw/zinc/59/69/50/857596950.db2.gz CADFFRBNVOCXMC-OWCLPIDISA-N 2 1 361.515 0.721 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)CC[NH2+]1 ZINC001246756094 857598096 /nfs/dbraw/zinc/59/80/96/857598096.db2.gz KRZULONSVQWPBV-BRWVUGGUSA-N 2 1 351.491 0.857 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246764255 857599823 /nfs/dbraw/zinc/59/98/23/857599823.db2.gz JTOLSDFGULSFPN-XWTMOSNGSA-N 2 1 351.491 0.713 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246764255 857599827 /nfs/dbraw/zinc/59/98/27/857599827.db2.gz JTOLSDFGULSFPN-XWTMOSNGSA-N 2 1 351.491 0.713 20 0 FCADMP Brc1cnc(O[C@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)nc1 ZINC001246807503 857602038 /nfs/dbraw/zinc/60/20/38/857602038.db2.gz KKXOHXJKAPXLQW-STQMWFEESA-N 2 1 368.279 0.786 20 0 FCADMP CC(C)(C)OC(=O)C1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246823526 857602116 /nfs/dbraw/zinc/60/21/16/857602116.db2.gz VMSCKKCMKNCIQE-UHFFFAOYSA-N 2 1 354.539 0.971 20 0 FCADMP COCC[N@H+]1CCOC[C@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001249834149 857651401 /nfs/dbraw/zinc/65/14/01/857651401.db2.gz IIRUVMSBZAWEDV-QGZVFWFLSA-N 2 1 358.552 0.483 20 0 FCADMP C[N@H+]1CCCN(CC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453466 857724455 /nfs/dbraw/zinc/72/44/55/857724455.db2.gz OHULMHJKXMBAHB-SFHVURJKSA-N 2 1 356.511 0.585 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)CCC1=O ZINC001251583971 857733339 /nfs/dbraw/zinc/73/33/39/857733339.db2.gz PNQQNBKLVABESN-GFCCVEGCSA-N 2 1 373.391 0.360 20 0 FCADMP C[NH+](C)CCN1CC[NH+](C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253128844 857862041 /nfs/dbraw/zinc/86/20/41/857862041.db2.gz GNNCKSVMBFMGQX-GOSISDBHSA-N 2 1 351.491 0.140 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185134 857870411 /nfs/dbraw/zinc/87/04/11/857870411.db2.gz CTYGLQDISCENHE-QGZVFWFLSA-N 2 1 354.539 0.708 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253202094 857871723 /nfs/dbraw/zinc/87/17/23/857871723.db2.gz DHHZHXPQNOCQFL-INIZCTEOSA-N 2 1 358.527 0.831 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001253391421 857885435 /nfs/dbraw/zinc/88/54/35/857885435.db2.gz MAHZVYNBQFEMMF-CVEARBPZSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(Cn1cc(Cl)cn1)N1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001279616171 862982347 /nfs/dbraw/zinc/98/23/47/862982347.db2.gz WYVGCICWDTXMGR-IYBDPMFKSA-N 2 1 367.881 0.448 20 0 FCADMP CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032504 858049619 /nfs/dbraw/zinc/04/96/19/858049619.db2.gz QIHKYMVMKJJRHG-BRWVUGGUSA-N 2 1 355.479 0.886 20 0 FCADMP CCOC(=O)N1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032504 858049627 /nfs/dbraw/zinc/04/96/27/858049627.db2.gz QIHKYMVMKJJRHG-BRWVUGGUSA-N 2 1 355.479 0.886 20 0 FCADMP CCOC(=O)N1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)C1 ZINC001256032504 858049636 /nfs/dbraw/zinc/04/96/36/858049636.db2.gz QIHKYMVMKJJRHG-BRWVUGGUSA-N 2 1 355.479 0.886 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[N@@H+](Cc3c[nH+]ccc3N)C[C@H]2CC1 ZINC001279617393 862983231 /nfs/dbraw/zinc/98/32/31/862983231.db2.gz WKORSDDBOQVVRK-OKILXGFUSA-N 2 1 353.492 0.444 20 0 FCADMP CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](Cc3c[nH+]ccc3N)C[C@H]2CC1 ZINC001279617393 862983243 /nfs/dbraw/zinc/98/32/43/862983243.db2.gz WKORSDDBOQVVRK-OKILXGFUSA-N 2 1 353.492 0.444 20 0 FCADMP CS(=O)(=O)N1CCC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001257230518 858127891 /nfs/dbraw/zinc/12/78/91/858127891.db2.gz UBMKVZCSXPQTBK-UHFFFAOYSA-N 2 1 352.504 0.841 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC001257307580 858137818 /nfs/dbraw/zinc/13/78/18/858137818.db2.gz XFDGRKYJLFEZEK-OAHLLOKOSA-N 2 1 351.495 0.990 20 0 FCADMP CCC[NH+]1CCC([N@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001258777849 858210702 /nfs/dbraw/zinc/21/07/02/858210702.db2.gz KLKREQPXNZNUKF-QGZVFWFLSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)CC1 ZINC001261551244 858590067 /nfs/dbraw/zinc/59/00/67/858590067.db2.gz BZMZYJIONJOUNJ-MRXNPFEDSA-N 2 1 372.535 0.072 20 0 FCADMP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046565 858765554 /nfs/dbraw/zinc/76/55/54/858765554.db2.gz SSSVERNJICTCAE-ZWKOTPCHSA-N 2 1 352.523 0.679 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC001262064739 858769477 /nfs/dbraw/zinc/76/94/77/858769477.db2.gz ICHQVDZTJZIUQA-SOUVJXGZSA-N 2 1 354.495 0.330 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccccc2F)CC1=O ZINC001262574514 859004560 /nfs/dbraw/zinc/00/45/60/859004560.db2.gz UNWWVGQLZLCHKI-PBHICJAKSA-N 2 1 353.438 0.628 20 0 FCADMP CSCC[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001263183026 859118442 /nfs/dbraw/zinc/11/84/42/859118442.db2.gz GFLAPQNFWHLNSG-JKSUJKDBSA-N 2 1 358.552 0.370 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001264545776 859381800 /nfs/dbraw/zinc/38/18/00/859381800.db2.gz ZVYSDKSESMGIEN-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCCC3)C2)C1=O ZINC001270165356 859673397 /nfs/dbraw/zinc/67/33/97/859673397.db2.gz HYNUNMOVHAYHSN-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001272744868 860244909 /nfs/dbraw/zinc/24/49/09/860244909.db2.gz LNOQLBSMBLCSSI-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001273454243 860493825 /nfs/dbraw/zinc/49/38/25/860493825.db2.gz NKTQVJHYBXKPIQ-GPMSIDNRSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1)[NH+]1CCCC1 ZINC001273503861 860510384 /nfs/dbraw/zinc/51/03/84/860510384.db2.gz QFELTPHJKXACTJ-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001273512704 860515362 /nfs/dbraw/zinc/51/53/62/860515362.db2.gz WWTFWMXONICLGD-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001273512704 860515372 /nfs/dbraw/zinc/51/53/72/860515372.db2.gz WWTFWMXONICLGD-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001273512704 860515382 /nfs/dbraw/zinc/51/53/82/860515382.db2.gz WWTFWMXONICLGD-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273667012 860562365 /nfs/dbraw/zinc/56/23/65/860562365.db2.gz ZGVQUBYESLPTEG-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274085078 860675059 /nfs/dbraw/zinc/67/50/59/860675059.db2.gz XMRISDOHAJWFAE-INIZCTEOSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1)[NH+](C)C ZINC001275222743 860994116 /nfs/dbraw/zinc/99/41/16/860994116.db2.gz KEKNBBWXAPKCFS-MJGOQNOKSA-N 2 1 352.523 0.975 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c(N)cccc3F)C2)OCC1=O ZINC001275336442 861037207 /nfs/dbraw/zinc/03/72/07/861037207.db2.gz CPSOJXISGNHIOO-SFHVURJKSA-N 2 1 350.438 0.773 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c(N)cccc3F)C2)OCC1=O ZINC001275336442 861037224 /nfs/dbraw/zinc/03/72/24/861037224.db2.gz CPSOJXISGNHIOO-SFHVURJKSA-N 2 1 350.438 0.773 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507883 861115539 /nfs/dbraw/zinc/11/55/39/861115539.db2.gz LJEIKRXVGLQEJV-LJQANCHMSA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275507883 861115541 /nfs/dbraw/zinc/11/55/41/861115541.db2.gz LJEIKRXVGLQEJV-LJQANCHMSA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275507883 861115545 /nfs/dbraw/zinc/11/55/45/861115545.db2.gz LJEIKRXVGLQEJV-LJQANCHMSA-N 2 1 352.523 0.977 20 0 FCADMP COCCCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275556913 861127573 /nfs/dbraw/zinc/12/75/73/861127573.db2.gz QJVPMLOVERAGFC-LJQANCHMSA-N 2 1 353.507 0.916 20 0 FCADMP CCOC(=O)[C@H](C)N1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556993 861127940 /nfs/dbraw/zinc/12/79/40/861127940.db2.gz RNAXLTAMKUENCF-AWEZNQCLSA-N 2 1 353.463 0.193 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275557066 861129642 /nfs/dbraw/zinc/12/96/42/861129642.db2.gz UKWFXRTWUIPWOC-GOSISDBHSA-N 2 1 371.547 0.830 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275557066 861129648 /nfs/dbraw/zinc/12/96/48/861129648.db2.gz UKWFXRTWUIPWOC-GOSISDBHSA-N 2 1 371.547 0.830 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]12 ZINC001279894464 863121296 /nfs/dbraw/zinc/12/12/96/863121296.db2.gz QYYUKTOCRBNJQO-OWCLPIDISA-N 2 1 352.479 0.510 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001279975987 863162055 /nfs/dbraw/zinc/16/20/55/863162055.db2.gz VZSJGDYFGZIQRS-UHFFFAOYSA-N 2 1 369.579 0.689 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC001280023828 863193339 /nfs/dbraw/zinc/19/33/39/863193339.db2.gz SQNJKKQTKSAORE-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP COC(C)(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CCN1CC2 ZINC001280056629 863227080 /nfs/dbraw/zinc/22/70/80/863227080.db2.gz SNTBASMZVFZOON-BBWFWOEESA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280056629 863227092 /nfs/dbraw/zinc/22/70/92/863227092.db2.gz SNTBASMZVFZOON-BBWFWOEESA-N 2 1 351.491 0.807 20 0 FCADMP COC(C)(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280056629 863227106 /nfs/dbraw/zinc/22/71/06/863227106.db2.gz SNTBASMZVFZOON-BBWFWOEESA-N 2 1 351.491 0.807 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4(C)COC4)C[C@H]23)CC1 ZINC001280180645 863311509 /nfs/dbraw/zinc/31/15/09/863311509.db2.gz OSFILIOTFCBZCO-LSDHHAIUSA-N 2 1 350.463 0.262 20 0 FCADMP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CC[C@H](C(=O)NCC2COC2)O3)CC1 ZINC001280211205 863340343 /nfs/dbraw/zinc/34/03/43/863340343.db2.gz PMCNTAKRZNKJJV-MRXNPFEDSA-N 2 1 351.491 0.714 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)N(C)CCOC)=NO[C@@H]3C2)CC1 ZINC001280254898 863362088 /nfs/dbraw/zinc/36/20/88/863362088.db2.gz CXWQRNDOYOTEQA-JKSUJKDBSA-N 2 1 352.479 0.510 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@H](C(=O)NCC2COC2)O3)CC1 ZINC001280251601 863363043 /nfs/dbraw/zinc/36/30/43/863363043.db2.gz ZGNFIITXDORDPI-QGZVFWFLSA-N 2 1 351.491 0.714 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257154 863364999 /nfs/dbraw/zinc/36/49/99/863364999.db2.gz GJWYJCLEYBDPTQ-HPBDAGMYSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257154 863365005 /nfs/dbraw/zinc/36/50/05/863365005.db2.gz GJWYJCLEYBDPTQ-HPBDAGMYSA-N 2 1 351.491 0.570 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257154 863365011 /nfs/dbraw/zinc/36/50/11/863365011.db2.gz GJWYJCLEYBDPTQ-HPBDAGMYSA-N 2 1 351.491 0.570 20 0 FCADMP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259061 863366684 /nfs/dbraw/zinc/36/66/84/863366684.db2.gz VODKAOHTIQIKHI-MLHJIOFPSA-N 2 1 353.507 0.912 20 0 FCADMP COCCN(C)C(=O)C[C@H]1C[C@@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259061 863366698 /nfs/dbraw/zinc/36/66/98/863366698.db2.gz VODKAOHTIQIKHI-MLHJIOFPSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@H+]1C ZINC001283435994 864500211 /nfs/dbraw/zinc/50/02/11/864500211.db2.gz ZBTLWBGHQIXUFC-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001295040018 865869874 /nfs/dbraw/zinc/86/98/74/865869874.db2.gz VSFRVXAAGJYZPF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001349064953 866222585 /nfs/dbraw/zinc/22/25/85/866222585.db2.gz LVWGVFNZGGJMAX-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001349064953 866222600 /nfs/dbraw/zinc/22/26/00/866222600.db2.gz LVWGVFNZGGJMAX-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001349064953 866222620 /nfs/dbraw/zinc/22/26/20/866222620.db2.gz LVWGVFNZGGJMAX-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001349064953 866222637 /nfs/dbraw/zinc/22/26/37/866222637.db2.gz LVWGVFNZGGJMAX-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP [NH3+]Cc1nc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1 ZINC001349398342 866329774 /nfs/dbraw/zinc/32/97/74/866329774.db2.gz INDWPHPDGAKYDC-RYUDHWBXSA-N 2 1 351.476 0.322 20 0 FCADMP C[N@@H+]1CCCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001351061047 866768510 /nfs/dbraw/zinc/76/85/10/866768510.db2.gz WWEJZFKITHVTIC-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001351061047 866768519 /nfs/dbraw/zinc/76/85/19/866768519.db2.gz WWEJZFKITHVTIC-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001353442770 867423534 /nfs/dbraw/zinc/42/35/34/867423534.db2.gz PFLOSWCPKQMYLP-YUELXQCFSA-N 2 1 353.467 0.005 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(=O)N(C)C3CC3)CCCC2)CC[N@H+]1C ZINC001318637431 867713553 /nfs/dbraw/zinc/71/35/53/867713553.db2.gz YHHNHHAPXVTEKD-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323856577 869387105 /nfs/dbraw/zinc/38/71/05/869387105.db2.gz BWIUWRLEKKGVTC-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001323856577 869387117 /nfs/dbraw/zinc/38/71/17/869387117.db2.gz BWIUWRLEKKGVTC-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001323856577 869387128 /nfs/dbraw/zinc/38/71/28/869387128.db2.gz BWIUWRLEKKGVTC-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001325429037 869889190 /nfs/dbraw/zinc/88/91/90/869889190.db2.gz VBKGGOZOMJLITG-KLHDSHLOSA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001344717075 870991853 /nfs/dbraw/zinc/99/18/53/870991853.db2.gz XFEQHLDUBFNIIB-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289646 871753426 /nfs/dbraw/zinc/75/34/26/871753426.db2.gz WWLZQIBNZQXHKV-CRAIPNDOSA-N 2 1 359.511 0.897 20 0 FCADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289649 871754004 /nfs/dbraw/zinc/75/40/04/871754004.db2.gz WWLZQIBNZQXHKV-YJBOKZPZSA-N 2 1 359.511 0.897 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@@H]3[C@H]1CCC[N@H+]3CCO)C2 ZINC001346537625 871890937 /nfs/dbraw/zinc/89/09/37/871890937.db2.gz KWCPJUVGJIKLHL-ZIAGYGMSSA-N 2 1 365.503 0.611 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606330 871928582 /nfs/dbraw/zinc/92/85/82/871928582.db2.gz KKTFQOMPHSDIPW-OWCLPIDISA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346606330 871928596 /nfs/dbraw/zinc/92/85/96/871928596.db2.gz KKTFQOMPHSDIPW-OWCLPIDISA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346606330 871928611 /nfs/dbraw/zinc/92/86/11/871928611.db2.gz KKTFQOMPHSDIPW-OWCLPIDISA-N 2 1 355.527 0.107 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC001347296503 872263093 /nfs/dbraw/zinc/26/30/93/872263093.db2.gz YWGNDGLLQRWGSH-UHFFFAOYSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC(C)C)C[C@@H]1C ZINC001347438697 872333752 /nfs/dbraw/zinc/33/37/52/872333752.db2.gz PANDKHBAMOUWNE-KBPBESRZSA-N 2 1 350.467 0.950 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001348128457 872604011 /nfs/dbraw/zinc/60/40/11/872604011.db2.gz ODNBFKDBCGFWKE-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001330593638 872722190 /nfs/dbraw/zinc/72/21/90/872722190.db2.gz VSXCREJZJRGZHI-CMPLNLGQSA-N 2 1 354.405 0.964 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@@H]1C ZINC001348852745 872813139 /nfs/dbraw/zinc/81/31/39/872813139.db2.gz OLSWCKBZHANGSJ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C[C@@H]1C ZINC001348852745 872813143 /nfs/dbraw/zinc/81/31/43/872813143.db2.gz OLSWCKBZHANGSJ-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331423616 873102059 /nfs/dbraw/zinc/10/20/59/873102059.db2.gz AQVXCNKQJCQXPP-ROUUACIJSA-N 2 1 354.539 0.910 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331453705 873110903 /nfs/dbraw/zinc/11/09/03/873110903.db2.gz OBNMCHKVDZESDL-SJLPKXTDSA-N 2 1 353.511 0.163 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2)CC1 ZINC001331969023 873319712 /nfs/dbraw/zinc/31/97/12/873319712.db2.gz MOWUBCVELDOQIF-INIZCTEOSA-N 2 1 368.503 0.529 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001331970468 873319803 /nfs/dbraw/zinc/31/98/03/873319803.db2.gz ULFHIDOPIYZKKN-BHYGNILZSA-N 2 1 367.515 0.775 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001332511490 873537770 /nfs/dbraw/zinc/53/77/70/873537770.db2.gz QHBFSYQQWXMZBQ-HUUCEWRRSA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001332511490 873537778 /nfs/dbraw/zinc/53/77/78/873537778.db2.gz QHBFSYQQWXMZBQ-HUUCEWRRSA-N 2 1 351.499 0.439 20 0 FCADMP CC[NH+]1CCC[C@@H]1Cn1nnnc1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001332511490 873537783 /nfs/dbraw/zinc/53/77/83/873537783.db2.gz QHBFSYQQWXMZBQ-HUUCEWRRSA-N 2 1 351.499 0.439 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332574855 873563487 /nfs/dbraw/zinc/56/34/87/873563487.db2.gz WYIWEPVZGWFKSX-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001332680124 873613883 /nfs/dbraw/zinc/61/38/83/873613883.db2.gz RQHUXMFWGSOMRD-OAHLLOKOSA-N 2 1 354.520 0.270 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1ccccc1-c1nn[nH]n1 ZINC000821599139 945735366 /nfs/dbraw/zinc/73/53/66/945735366.db2.gz HATTYAFDPJKBMI-UHFFFAOYSA-N 2 1 359.478 0.815 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000826181593 947560920 /nfs/dbraw/zinc/56/09/20/947560920.db2.gz GBGRLQXMPBTQQU-UHFFFAOYSA-N 2 1 359.478 0.945 20 0 FCADMP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476604 948382920 /nfs/dbraw/zinc/38/29/20/948382920.db2.gz LBZFMVXPDTZUDF-OFQRWUPVSA-N 2 1 353.430 0.513 20 0 FCADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926148 948988170 /nfs/dbraw/zinc/98/81/70/948988170.db2.gz JJVUNHFZUVZWDK-CYBMUJFWSA-N 2 1 357.462 0.945 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926429 949001096 /nfs/dbraw/zinc/00/10/96/949001096.db2.gz QEBGTAFVWZQBBO-LBPRGKRZSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574955851 949571114 /nfs/dbraw/zinc/57/11/14/949571114.db2.gz GAXXRULCKHOZMQ-WOSRLPQWSA-N 2 1 357.462 0.801 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574713108 949596750 /nfs/dbraw/zinc/59/67/50/949596750.db2.gz VYDRWWMHNCWHNE-XJKSGUPXSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957337 949609330 /nfs/dbraw/zinc/60/93/30/949609330.db2.gz VIZBBBWNRCLCKF-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718453 949782373 /nfs/dbraw/zinc/78/23/73/949782373.db2.gz XKPXPRNLWIDSQN-KBPBESRZSA-N 2 1 372.477 0.817 20 0 FCADMP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001575283682 949882661 /nfs/dbraw/zinc/88/26/61/949882661.db2.gz GRRWZHIMYYFKOF-OLZOCXBDSA-N 2 1 374.493 0.967 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576199270 950417695 /nfs/dbraw/zinc/41/76/95/950417695.db2.gz YATITKUTTGKQOG-WMLDXEAASA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981382 950589113 /nfs/dbraw/zinc/58/91/13/950589113.db2.gz KTJYSFPOTAYICO-SWLSCSKDSA-N 2 1 356.434 0.181 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113769 951945060 /nfs/dbraw/zinc/94/50/60/951945060.db2.gz FXCYNMVULDIFAO-UKRRQHHQSA-N 2 1 357.462 0.660 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063387 951966372 /nfs/dbraw/zinc/96/63/72/951966372.db2.gz LMYIULTXCPSVRF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063387 951966378 /nfs/dbraw/zinc/96/63/78/951966378.db2.gz LMYIULTXCPSVRF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571063387 951966386 /nfs/dbraw/zinc/96/63/86/951966386.db2.gz LMYIULTXCPSVRF-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571064055 951970808 /nfs/dbraw/zinc/97/08/08/951970808.db2.gz QQKRLVGTAKNFFB-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571064055 951970817 /nfs/dbraw/zinc/97/08/17/951970817.db2.gz QQKRLVGTAKNFFB-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001571064055 951970825 /nfs/dbraw/zinc/97/08/25/951970825.db2.gz QQKRLVGTAKNFFB-KBRIMQKVSA-N 2 1 369.473 0.897 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571064664 951977438 /nfs/dbraw/zinc/97/74/38/951977438.db2.gz WMKRRXDAWYMWCT-DJIMGWMZSA-N 2 1 369.473 0.945 20 0 FCADMP Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078691 952132738 /nfs/dbraw/zinc/13/27/38/952132738.db2.gz SGOKKQZKWRFCJO-MELADBBJSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078931 952135617 /nfs/dbraw/zinc/13/56/17/952135617.db2.gz YBWXVJAMIBYFJW-CJNGLKHVSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078932 952136303 /nfs/dbraw/zinc/13/63/03/952136303.db2.gz YBWXVJAMIBYFJW-CZUORRHYSA-N 2 1 370.461 0.489 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575146448 952194393 /nfs/dbraw/zinc/19/43/93/952194393.db2.gz LEYAYPWTXZUXQC-CHWSQXEVSA-N 2 1 358.450 0.284 20 0 FCADMP CN(C)S(=O)(=O)NCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000291393574 214031886 /nfs/dbraw/zinc/03/18/86/214031886.db2.gz CWGXXNKKANYTFC-UHFFFAOYSA-N 2 1 354.520 0.679 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000410983668 529807133 /nfs/dbraw/zinc/80/71/33/529807133.db2.gz QBTXLZLHKQSMQG-ZWKOTPCHSA-N 2 1 362.518 0.873 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000265579114 210170683 /nfs/dbraw/zinc/17/06/83/210170683.db2.gz XZAAZNNIVDCCDL-MRXNPFEDSA-N 2 1 354.476 0.302 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000265396516 210120011 /nfs/dbraw/zinc/12/00/11/210120011.db2.gz QWZVQCSINCCFRB-UHFFFAOYSA-N 2 1 366.462 0.260 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1C ZINC000331473059 215002676 /nfs/dbraw/zinc/00/26/76/215002676.db2.gz WIVHBSNYLSZLSY-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1C ZINC000331473059 215002678 /nfs/dbraw/zinc/00/26/78/215002678.db2.gz WIVHBSNYLSZLSY-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000331484354 215003748 /nfs/dbraw/zinc/00/37/48/215003748.db2.gz UPJFWOUYHPOVPW-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000331458745 215000478 /nfs/dbraw/zinc/00/04/78/215000478.db2.gz PVBBCHSPRSCECH-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000331528880 215009837 /nfs/dbraw/zinc/00/98/37/215009837.db2.gz GPMQCVCWNYLNDC-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000331528880 215009840 /nfs/dbraw/zinc/00/98/40/215009840.db2.gz GPMQCVCWNYLNDC-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCSC1 ZINC000331540174 215012304 /nfs/dbraw/zinc/01/23/04/215012304.db2.gz PKIXURVDXPGELU-JKIFEVAISA-N 2 1 354.520 0.093 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562852 215016126 /nfs/dbraw/zinc/01/61/26/215016126.db2.gz SKKUKRAWWWLETD-RKVPGOIHSA-N 2 1 368.547 0.483 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331581970 215019095 /nfs/dbraw/zinc/01/90/95/215019095.db2.gz FUBDMSVYUDQTNJ-HLLBOEOZSA-N 2 1 366.506 0.284 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000331718164 215039062 /nfs/dbraw/zinc/03/90/62/215039062.db2.gz PVIAZOSRRJPHOB-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)[C@H]2C1 ZINC000331718164 215039064 /nfs/dbraw/zinc/03/90/64/215039064.db2.gz PVIAZOSRRJPHOB-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)[C@H]2C1 ZINC000331718164 215039066 /nfs/dbraw/zinc/03/90/66/215039066.db2.gz PVIAZOSRRJPHOB-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C[C@@H]1[NH3+] ZINC000331776555 215046371 /nfs/dbraw/zinc/04/63/71/215046371.db2.gz JSYHUXABEQVAHF-VQHPVUNQSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000331796483 215046796 /nfs/dbraw/zinc/04/67/96/215046796.db2.gz LILHLCJLEOAHEG-BRWVUGGUSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000331801121 215049026 /nfs/dbraw/zinc/04/90/26/215049026.db2.gz QQWGRXPIAGOLAT-IKGGRYGDSA-N 2 1 350.507 0.907 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331860139 215057911 /nfs/dbraw/zinc/05/79/11/215057911.db2.gz BFQOXSXYKXLTLX-JJXSEGSLSA-N 2 1 350.507 0.809 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332017145 215079722 /nfs/dbraw/zinc/07/97/22/215079722.db2.gz HUPUFJKMOPKCHT-CVEARBPZSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332017145 215079725 /nfs/dbraw/zinc/07/97/25/215079725.db2.gz HUPUFJKMOPKCHT-CVEARBPZSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000332076277 215087162 /nfs/dbraw/zinc/08/71/62/215087162.db2.gz ZEUDVFAAYIOJFV-DOTOQJQBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000332078491 215089076 /nfs/dbraw/zinc/08/90/76/215089076.db2.gz ZSYHMTJNHVEYRC-HNNXBMFYSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000332098479 215093218 /nfs/dbraw/zinc/09/32/18/215093218.db2.gz XYEMBVVXKDKGQE-ZOBUZTSGSA-N 2 1 366.506 0.332 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332162027 215103464 /nfs/dbraw/zinc/10/34/64/215103464.db2.gz QCNJOAQSQQJHJT-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)CC2)c1 ZINC000332167334 215105055 /nfs/dbraw/zinc/10/50/55/215105055.db2.gz VBJXJLULHNRIDV-HZPDHXFCSA-N 2 1 359.474 0.447 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1C ZINC000332256069 215116660 /nfs/dbraw/zinc/11/66/60/215116660.db2.gz CSKDWMQYLUFIQJ-WOYTXXSLSA-N 2 1 350.507 0.903 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332405073 215147310 /nfs/dbraw/zinc/14/73/10/215147310.db2.gz OOPWTMZUFGTISV-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332405073 215147312 /nfs/dbraw/zinc/14/73/12/215147312.db2.gz OOPWTMZUFGTISV-SJORKVTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332416137 215148670 /nfs/dbraw/zinc/14/86/70/215148670.db2.gz UNZOEPOAZGDVLR-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332416137 215148673 /nfs/dbraw/zinc/14/86/73/215148673.db2.gz UNZOEPOAZGDVLR-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332413441 215148922 /nfs/dbraw/zinc/14/89/22/215148922.db2.gz SPHAUUAHTPPEDY-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H]1C ZINC000332413441 215148923 /nfs/dbraw/zinc/14/89/23/215148923.db2.gz SPHAUUAHTPPEDY-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000332419360 215149790 /nfs/dbraw/zinc/14/97/90/215149790.db2.gz NIOYVVXPSCZEMY-IRXDYDNUSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332455374 215155598 /nfs/dbraw/zinc/15/55/98/215155598.db2.gz UPPZEORABYUCHR-NXOAAHMSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H]1C ZINC000332455374 215155600 /nfs/dbraw/zinc/15/56/00/215155600.db2.gz UPPZEORABYUCHR-NXOAAHMSSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000332480574 215159130 /nfs/dbraw/zinc/15/91/30/215159130.db2.gz MLDHBRPGWLGXNO-PBHICJAKSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000332480574 215159132 /nfs/dbraw/zinc/15/91/32/215159132.db2.gz MLDHBRPGWLGXNO-PBHICJAKSA-N 2 1 359.474 0.635 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)c1 ZINC000332532501 215170731 /nfs/dbraw/zinc/17/07/31/215170731.db2.gz HQYPGGHFSNZZEK-HOTGVXAUSA-N 2 1 359.474 0.482 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)[N@H+]1C ZINC000332540244 215173772 /nfs/dbraw/zinc/17/37/72/215173772.db2.gz CGPYGLCWFVMBAC-IYBDPMFKSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)[N@@H+]1C ZINC000332540244 215173775 /nfs/dbraw/zinc/17/37/75/215173775.db2.gz CGPYGLCWFVMBAC-IYBDPMFKSA-N 2 1 366.506 0.108 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332707484 215205995 /nfs/dbraw/zinc/20/59/95/215205995.db2.gz ZGXRKNMJNGETRW-HOTGVXAUSA-N 2 1 366.506 0.251 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000332707484 215205998 /nfs/dbraw/zinc/20/59/98/215205998.db2.gz ZGXRKNMJNGETRW-HOTGVXAUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1=CC[NH+](C)CC1 ZINC000332885074 215216494 /nfs/dbraw/zinc/21/64/94/215216494.db2.gz QSJQLLSRMTWDNP-WBVHZDCISA-N 2 1 363.506 0.585 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000333298172 215260649 /nfs/dbraw/zinc/26/06/49/215260649.db2.gz IOIPAQBYRVRFNG-GVDBMIGSSA-N 2 1 354.495 0.635 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)C1 ZINC000333333167 215265499 /nfs/dbraw/zinc/26/54/99/215265499.db2.gz WORULDCBFAZEJX-DLBZAZTESA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333365524 215271401 /nfs/dbraw/zinc/27/14/01/215271401.db2.gz LSPWOMFAVAWEHW-ZACQAIPSSA-N 2 1 358.490 0.453 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCSC1 ZINC000333393015 215275461 /nfs/dbraw/zinc/27/54/61/215275461.db2.gz PAHHPSAWVHLOPF-HTWSVDAQSA-N 2 1 369.579 0.939 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333406132 215276112 /nfs/dbraw/zinc/27/61/12/215276112.db2.gz ZICGCLIMXDCUBJ-HZPDHXFCSA-N 2 1 359.478 0.977 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333595685 215299163 /nfs/dbraw/zinc/29/91/63/215299163.db2.gz OXZBJPGXQPYNDQ-JKSUJKDBSA-N 2 1 354.495 0.685 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333641279 215303656 /nfs/dbraw/zinc/30/36/56/215303656.db2.gz IHQFHZVXXRNXDA-ZIAGYGMSSA-N 2 1 363.428 0.702 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644634 215305158 /nfs/dbraw/zinc/30/51/58/215305158.db2.gz XXOVHPKISNXSOQ-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1nc(S(=O)(=O)N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cn1C ZINC000333729031 215313291 /nfs/dbraw/zinc/31/32/91/215313291.db2.gz VVKTZSINPZZDKS-OAHLLOKOSA-N 2 1 355.508 0.425 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333761724 215316765 /nfs/dbraw/zinc/31/67/65/215316765.db2.gz APKSEBRKBKZBDK-JZXOWHBKSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000333811421 215321495 /nfs/dbraw/zinc/32/14/95/215321495.db2.gz JJJNBSRZUBXWRE-FGTMMUONSA-N 2 1 367.538 0.421 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851119 215324238 /nfs/dbraw/zinc/32/42/38/215324238.db2.gz QAXZMHOTJSJXHK-ZDRJDWQYSA-N 2 1 363.506 0.511 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000333835014 215323415 /nfs/dbraw/zinc/32/34/15/215323415.db2.gz NEXIEKJQXLNRFP-MRXNPFEDSA-N 2 1 353.511 0.304 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000333954126 215332941 /nfs/dbraw/zinc/33/29/41/215332941.db2.gz DYXXXIWWUVFSDM-UHFFFAOYSA-N 2 1 351.495 0.467 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000360977255 215377011 /nfs/dbraw/zinc/37/70/11/215377011.db2.gz NCAPVXXAKXHXMZ-KURKYZTESA-N 2 1 368.522 0.584 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443031 213342857 /nfs/dbraw/zinc/34/28/57/213342857.db2.gz ZCLOGPUHKBPREQ-JKSUJKDBSA-N 2 1 359.474 0.943 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000930958696 674081833 /nfs/dbraw/zinc/08/18/33/674081833.db2.gz XSPWUHUDPZJGOK-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000930958696 674081837 /nfs/dbraw/zinc/08/18/37/674081837.db2.gz XSPWUHUDPZJGOK-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000930958696 674081842 /nfs/dbraw/zinc/08/18/42/674081842.db2.gz XSPWUHUDPZJGOK-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000285155245 213294156 /nfs/dbraw/zinc/29/41/56/213294156.db2.gz XOOFYLNASNHBRQ-INIZCTEOSA-N 2 1 370.457 0.792 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000285155245 213294158 /nfs/dbraw/zinc/29/41/58/213294158.db2.gz XOOFYLNASNHBRQ-INIZCTEOSA-N 2 1 370.457 0.792 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000285155254 213293579 /nfs/dbraw/zinc/29/35/79/213293579.db2.gz XOOFYLNASNHBRQ-MRXNPFEDSA-N 2 1 370.457 0.792 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000285155254 213293584 /nfs/dbraw/zinc/29/35/84/213293584.db2.gz XOOFYLNASNHBRQ-MRXNPFEDSA-N 2 1 370.457 0.792 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086599 213280473 /nfs/dbraw/zinc/28/04/73/213280473.db2.gz PPASVVZKLIIMJW-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285086599 213280477 /nfs/dbraw/zinc/28/04/77/213280477.db2.gz PPASVVZKLIIMJW-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285086599 213280480 /nfs/dbraw/zinc/28/04/80/213280480.db2.gz PPASVVZKLIIMJW-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086588 213280873 /nfs/dbraw/zinc/28/08/73/213280873.db2.gz PPASVVZKLIIMJW-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285086588 213280878 /nfs/dbraw/zinc/28/08/78/213280878.db2.gz PPASVVZKLIIMJW-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285086588 213280881 /nfs/dbraw/zinc/28/08/81/213280881.db2.gz PPASVVZKLIIMJW-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP CN(Cc1nccn1C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000284981719 213261226 /nfs/dbraw/zinc/26/12/26/213261226.db2.gz SJCDFHVGWQMTCL-AWEZNQCLSA-N 2 1 359.430 0.925 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)c1ccco1 ZINC000284573325 213171313 /nfs/dbraw/zinc/17/13/13/213171313.db2.gz WCHHHOFBEKYPDL-CQSZACIVSA-N 2 1 366.462 0.226 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccco1 ZINC000284529889 213161695 /nfs/dbraw/zinc/16/16/95/213161695.db2.gz UGVKQMSEPXSSFF-OAHLLOKOSA-N 2 1 350.463 0.991 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000284358668 213118817 /nfs/dbraw/zinc/11/88/17/213118817.db2.gz ZDTYROLDHFXEOQ-UHFFFAOYSA-N 2 1 353.467 0.125 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000284358668 213118819 /nfs/dbraw/zinc/11/88/19/213118819.db2.gz ZDTYROLDHFXEOQ-UHFFFAOYSA-N 2 1 353.467 0.125 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284280059 213102832 /nfs/dbraw/zinc/10/28/32/213102832.db2.gz HMBQKJBSLSNBNB-AWEZNQCLSA-N 2 1 354.451 0.035 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000284192501 213094366 /nfs/dbraw/zinc/09/43/66/213094366.db2.gz UVVYZOJAQIUDKL-INIZCTEOSA-N 2 1 353.492 0.251 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCn2ccnc2)C[N@H+]1Cc1ccccc1 ZINC000283991969 213049584 /nfs/dbraw/zinc/04/95/84/213049584.db2.gz OQZSNZHJYGCXHZ-WBVHZDCISA-N 2 1 355.442 0.779 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000283965906 213044351 /nfs/dbraw/zinc/04/43/51/213044351.db2.gz IEQGDPKQESRUOD-HNNXBMFYSA-N 2 1 370.519 0.552 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000283965906 213044356 /nfs/dbraw/zinc/04/43/56/213044356.db2.gz IEQGDPKQESRUOD-HNNXBMFYSA-N 2 1 370.519 0.552 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000413613957 237365735 /nfs/dbraw/zinc/36/57/35/237365735.db2.gz VOTMTMLODBXXAA-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000413613957 237365740 /nfs/dbraw/zinc/36/57/40/237365740.db2.gz VOTMTMLODBXXAA-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230909 216095485 /nfs/dbraw/zinc/09/54/85/216095485.db2.gz LFEPFYDXPKGENH-IUODEOHRSA-N 2 1 365.396 0.966 20 0 FCADMP COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000367601195 216141216 /nfs/dbraw/zinc/14/12/16/216141216.db2.gz FIFRVOSNJUCLDE-AWEZNQCLSA-N 2 1 351.369 0.578 20 0 FCADMP COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000367601195 216141218 /nfs/dbraw/zinc/14/12/18/216141218.db2.gz FIFRVOSNJUCLDE-AWEZNQCLSA-N 2 1 351.369 0.578 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000367752102 216157390 /nfs/dbraw/zinc/15/73/90/216157390.db2.gz PLYRUCDCQUHXMF-GOEBONIOSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)C1 ZINC000246162295 209381250 /nfs/dbraw/zinc/38/12/50/209381250.db2.gz CUWLFURKIOKSHO-DLBZAZTESA-N 2 1 370.563 0.335 20 0 FCADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)CC2)[nH+]c1 ZINC000237874532 209359449 /nfs/dbraw/zinc/35/94/49/209359449.db2.gz AILRBBRNLJFPDP-QGZVFWFLSA-N 2 1 373.501 0.920 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NCCCN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000237230561 209349625 /nfs/dbraw/zinc/34/96/25/209349625.db2.gz PDARRWZEGWBQBX-IBGZPJMESA-N 2 1 359.518 0.387 20 0 FCADMP C[NH+](C)CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CCS(=O)(=O)C1 ZINC000368290464 216226955 /nfs/dbraw/zinc/22/69/55/216226955.db2.gz NSXQBWHGBNRZHN-GJZGRUSLSA-N 2 1 368.503 0.728 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nnn1C1CC[NH2+]CC1 ZINC000236798227 209344998 /nfs/dbraw/zinc/34/49/98/209344998.db2.gz QHNAOQFEEKQMFO-MRXNPFEDSA-N 2 1 364.494 0.598 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000368794078 216297312 /nfs/dbraw/zinc/29/73/12/216297312.db2.gz FGMYQPXAJULWPW-OAHLLOKOSA-N 2 1 353.511 0.522 20 0 FCADMP Cn1cc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314352 209271074 /nfs/dbraw/zinc/27/10/74/209271074.db2.gz FCIGNZLXOQRDBO-HXUWFJFHSA-N 2 1 372.469 0.153 20 0 FCADMP Cn1cc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314352 209271077 /nfs/dbraw/zinc/27/10/77/209271077.db2.gz FCIGNZLXOQRDBO-HXUWFJFHSA-N 2 1 372.469 0.153 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369400974 216396381 /nfs/dbraw/zinc/39/63/81/216396381.db2.gz KATBMEGQNVWPQQ-QGZVFWFLSA-N 2 1 364.494 0.287 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369400974 216396383 /nfs/dbraw/zinc/39/63/83/216396383.db2.gz KATBMEGQNVWPQQ-QGZVFWFLSA-N 2 1 364.494 0.287 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000369402716 216396901 /nfs/dbraw/zinc/39/69/01/216396901.db2.gz RWEUJUOMCSQJAJ-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000369402716 216396905 /nfs/dbraw/zinc/39/69/05/216396905.db2.gz RWEUJUOMCSQJAJ-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000369402716 216396909 /nfs/dbraw/zinc/39/69/09/216396909.db2.gz RWEUJUOMCSQJAJ-CVEARBPZSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190214354 209269813 /nfs/dbraw/zinc/26/98/13/209269813.db2.gz OFZNFEGQMIJBPP-CQSZACIVSA-N 2 1 352.483 0.754 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)C1 ZINC000188757951 209238661 /nfs/dbraw/zinc/23/86/61/209238661.db2.gz XNAVSTCWFOCRQF-YESZJQIVSA-N 2 1 362.449 0.700 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000277024931 212320437 /nfs/dbraw/zinc/32/04/37/212320437.db2.gz JNVDLWRZJOKNJH-HNNXBMFYSA-N 2 1 362.478 0.044 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187838431 209219542 /nfs/dbraw/zinc/21/95/42/209219542.db2.gz KPKIIBBFINKTQF-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000276252259 212196876 /nfs/dbraw/zinc/19/68/76/212196876.db2.gz FVGPOLYLAVTFRU-LQYUOIDQSA-N 2 1 362.478 0.399 20 0 FCADMP CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000276252259 212196879 /nfs/dbraw/zinc/19/68/79/212196879.db2.gz FVGPOLYLAVTFRU-LQYUOIDQSA-N 2 1 362.478 0.399 20 0 FCADMP C[C@@H](O)C[N@@H+](Cc1ccccc1C[NH+](C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188020 /nfs/dbraw/zinc/18/80/20/212188020.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[C@@H](O)C[NH+](Cc1ccccc1C[N@H+](C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188027 /nfs/dbraw/zinc/18/80/27/212188027.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[C@@H](O)C[NH+](Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188031 /nfs/dbraw/zinc/18/80/31/212188031.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 2 1 368.518 0.814 20 0 FCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000275454770 212031272 /nfs/dbraw/zinc/03/12/72/212031272.db2.gz MHBBPTPECLXGNL-UHFFFAOYSA-N 2 1 364.515 0.894 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000373337455 217009260 /nfs/dbraw/zinc/00/92/60/217009260.db2.gz BZNVIPZGXINNMR-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000373337455 217009264 /nfs/dbraw/zinc/00/92/64/217009264.db2.gz BZNVIPZGXINNMR-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000373337455 217009265 /nfs/dbraw/zinc/00/92/65/217009265.db2.gz BZNVIPZGXINNMR-KRWDZBQOSA-N 2 1 352.523 0.726 20 0 FCADMP Cn1nc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC(F)F ZINC000373352630 217011234 /nfs/dbraw/zinc/01/12/34/217011234.db2.gz GCXCLBYTUFQKKM-NSHDSACASA-N 2 1 357.405 0.920 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484259 674117271 /nfs/dbraw/zinc/11/72/71/674117271.db2.gz LVXKMJYESVQUAV-JTQLQIEISA-N 2 1 354.373 0.152 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000414660868 245308412 /nfs/dbraw/zinc/30/84/12/245308412.db2.gz NVUCMDWMECKBSA-KRWDZBQOSA-N 2 1 362.474 0.818 20 0 FCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487530 674117545 /nfs/dbraw/zinc/11/75/45/674117545.db2.gz DMDRKDYTMYQCTH-OAHLLOKOSA-N 2 1 355.479 0.319 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414889121 245330217 /nfs/dbraw/zinc/33/02/17/245330217.db2.gz SUMXDTWESCAYQL-MRXNPFEDSA-N 2 1 360.458 0.906 20 0 FCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000414959165 245339936 /nfs/dbraw/zinc/33/99/36/245339936.db2.gz XBJMHRMLZBREKG-OAHLLOKOSA-N 2 1 360.458 0.525 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954523 245336594 /nfs/dbraw/zinc/33/65/94/245336594.db2.gz LIYQITMXISPMEB-BLLLJJGKSA-N 2 1 358.442 0.706 20 0 FCADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c(OC)c1 ZINC000414968545 245339163 /nfs/dbraw/zinc/33/91/63/245339163.db2.gz CYQQEUXUTRCUSN-KGLIPLIRSA-N 2 1 350.463 0.914 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000415253997 245368121 /nfs/dbraw/zinc/36/81/21/245368121.db2.gz JPSIUBBWCKSQIH-QGZVFWFLSA-N 2 1 362.474 0.698 20 0 FCADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000185341707 209176291 /nfs/dbraw/zinc/17/62/91/209176291.db2.gz KKFWNXWGAGFRIP-INIZCTEOSA-N 2 1 367.515 0.911 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1COCCN1C1CCCC1 ZINC000373526408 217028899 /nfs/dbraw/zinc/02/88/99/217028899.db2.gz CRHXRPSEWZIPEU-ROUUACIJSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@H](C)N1CCO ZINC000373912379 217073742 /nfs/dbraw/zinc/07/37/42/217073742.db2.gz PURCDHVKWHLSCO-GASCZTMLSA-N 2 1 358.446 0.864 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076090 209157095 /nfs/dbraw/zinc/15/70/95/209157095.db2.gz LIMCNEXFEXBUOA-FUHWJXTLSA-N 2 1 352.523 0.772 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1=O ZINC000374918554 217190421 /nfs/dbraw/zinc/19/04/21/217190421.db2.gz SJNCZQOETVMBIZ-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1=O ZINC000374918554 217190424 /nfs/dbraw/zinc/19/04/24/217190424.db2.gz SJNCZQOETVMBIZ-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000374918554 217190429 /nfs/dbraw/zinc/19/04/29/217190429.db2.gz SJNCZQOETVMBIZ-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374873721 217183740 /nfs/dbraw/zinc/18/37/40/217183740.db2.gz DXOZRRREGYQTFC-MRXNPFEDSA-N 2 1 359.474 0.896 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374873721 217183742 /nfs/dbraw/zinc/18/37/42/217183742.db2.gz DXOZRRREGYQTFC-MRXNPFEDSA-N 2 1 359.474 0.896 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891233 209153383 /nfs/dbraw/zinc/15/33/83/209153383.db2.gz KPAZKKJJVWYXDS-AWEZNQCLSA-N 2 1 350.467 0.660 20 0 FCADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000183269849 209145102 /nfs/dbraw/zinc/14/51/02/209145102.db2.gz MJXPFRBLNBUSBD-OAHLLOKOSA-N 2 1 353.488 0.603 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182355398 209131279 /nfs/dbraw/zinc/13/12/79/209131279.db2.gz AMJLOOYSOJDQQI-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182355398 209131282 /nfs/dbraw/zinc/13/12/82/209131282.db2.gz AMJLOOYSOJDQQI-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP Cc1nnc(COCC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000375745509 217307755 /nfs/dbraw/zinc/30/77/55/217307755.db2.gz QTJVJJPEPRXTHW-ZDUSSCGKSA-N 2 1 353.492 0.648 20 0 FCADMP C[C@@H]1CN(CCN(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745189 217308110 /nfs/dbraw/zinc/30/81/10/217308110.db2.gz PYFXRZYEMWKUGC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745189 217308112 /nfs/dbraw/zinc/30/81/12/217308112.db2.gz PYFXRZYEMWKUGC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745189 217308115 /nfs/dbraw/zinc/30/81/15/217308115.db2.gz PYFXRZYEMWKUGC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H](C)O1 ZINC000375745189 217308116 /nfs/dbraw/zinc/30/81/16/217308116.db2.gz PYFXRZYEMWKUGC-VVLHAWIVSA-N 2 1 354.495 0.600 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375805740 217319670 /nfs/dbraw/zinc/31/96/70/217319670.db2.gz NIRWQMSAPSYCKW-HOTGVXAUSA-N 2 1 368.478 0.130 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375805740 217319674 /nfs/dbraw/zinc/31/96/74/217319674.db2.gz NIRWQMSAPSYCKW-HOTGVXAUSA-N 2 1 368.478 0.130 20 0 FCADMP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000418182687 245763930 /nfs/dbraw/zinc/76/39/30/245763930.db2.gz OBCNRAGNYGWCNN-OZSLIKBDSA-N 2 1 365.522 0.696 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376196669 217369043 /nfs/dbraw/zinc/36/90/43/217369043.db2.gz OUILKSDVFWYSCI-IRXDYDNUSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000376231704 217373048 /nfs/dbraw/zinc/37/30/48/217373048.db2.gz JKFGBLNYSBXQPC-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000376231704 217373050 /nfs/dbraw/zinc/37/30/50/217373050.db2.gz JKFGBLNYSBXQPC-KZNAEPCWSA-N 2 1 352.523 0.724 20 0 FCADMP CC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000376304980 217381031 /nfs/dbraw/zinc/38/10/31/217381031.db2.gz XPLKURSIZGHMQF-ALOPSCKCSA-N 2 1 365.522 0.854 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000419126286 246001481 /nfs/dbraw/zinc/00/14/81/246001481.db2.gz MHXHLOAPBXHHHB-HNNXBMFYSA-N 2 1 355.527 0.008 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]1 ZINC000419131314 246007819 /nfs/dbraw/zinc/00/78/19/246007819.db2.gz CKGGTTGAAGCUIN-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000419139438 246011336 /nfs/dbraw/zinc/01/13/36/246011336.db2.gz URSQFAPZGARTDY-ZWKOTPCHSA-N 2 1 374.485 0.343 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136476 246011687 /nfs/dbraw/zinc/01/16/87/246011687.db2.gz PENJOZWZCMELJB-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)[nH+]1 ZINC000419143664 246012382 /nfs/dbraw/zinc/01/23/82/246012382.db2.gz ZKTFAKWNGXSLIS-BBRMVZONSA-N 2 1 359.474 0.589 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419140812 246013539 /nfs/dbraw/zinc/01/35/39/246013539.db2.gz WECBLDIZJMHPLE-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419145205 246015113 /nfs/dbraw/zinc/01/51/13/246015113.db2.gz AATFWPVMAIELBP-RBUKOAKNSA-N 2 1 372.513 0.926 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419165478 246028821 /nfs/dbraw/zinc/02/88/21/246028821.db2.gz GLIYTFVIMNWTKV-HZPDHXFCSA-N 2 1 354.495 0.252 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419166622 246031250 /nfs/dbraw/zinc/03/12/50/246031250.db2.gz HQXCFMJPPFKQAE-ROUUACIJSA-N 2 1 358.486 0.535 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419170872 246032643 /nfs/dbraw/zinc/03/26/43/246032643.db2.gz ODOSKPQOUODXAN-MSOLQXFVSA-N 2 1 358.486 0.535 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419170900 246033295 /nfs/dbraw/zinc/03/32/95/246033295.db2.gz OGMZTROLVAXXRI-RXVVDRJESA-N 2 1 372.513 0.865 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000419178760 246038133 /nfs/dbraw/zinc/03/81/33/246038133.db2.gz GYAVIOWZHDSXPQ-DLBZAZTESA-N 2 1 366.506 0.476 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419207356 246055536 /nfs/dbraw/zinc/05/55/36/246055536.db2.gz MKIOYEJGNIEQEN-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419210938 246057529 /nfs/dbraw/zinc/05/75/29/246057529.db2.gz RUXIDKRRMRIWPG-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212214 246057751 /nfs/dbraw/zinc/05/77/51/246057751.db2.gz UJJPLBQTTPPXTI-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000419210452 246058028 /nfs/dbraw/zinc/05/80/28/246058028.db2.gz QXIXVECDKGTATH-OAHLLOKOSA-N 2 1 364.412 0.589 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000419210452 246058032 /nfs/dbraw/zinc/05/80/32/246058032.db2.gz QXIXVECDKGTATH-OAHLLOKOSA-N 2 1 364.412 0.589 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419216024 246058475 /nfs/dbraw/zinc/05/84/75/246058475.db2.gz OVSQCOCMFAVFSC-DAYGRLMNSA-N 2 1 374.485 0.472 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214270 246058608 /nfs/dbraw/zinc/05/86/08/246058608.db2.gz XIYYUSLNTDJZPF-NWDGAFQWSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419214270 246058616 /nfs/dbraw/zinc/05/86/16/246058616.db2.gz XIYYUSLNTDJZPF-NWDGAFQWSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215847 246059148 /nfs/dbraw/zinc/05/91/48/246059148.db2.gz ZMJXANABIGUPPZ-CHWSQXEVSA-N 2 1 366.428 0.820 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000419215847 246059151 /nfs/dbraw/zinc/05/91/51/246059151.db2.gz ZMJXANABIGUPPZ-CHWSQXEVSA-N 2 1 366.428 0.820 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419222437 246061575 /nfs/dbraw/zinc/06/15/75/246061575.db2.gz WZKXXGVKRRARNC-AEFFLSMTSA-N 2 1 358.486 0.963 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419224941 246065782 /nfs/dbraw/zinc/06/57/82/246065782.db2.gz GFMKPSSWBWHXKG-KRWDZBQOSA-N 2 1 362.518 0.969 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419224467 246065989 /nfs/dbraw/zinc/06/59/89/246065989.db2.gz FMXANBRUTBCMER-PBHICJAKSA-N 2 1 350.507 0.953 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419197466 246048902 /nfs/dbraw/zinc/04/89/02/246048902.db2.gz BYFSDXAWUIMIKC-SFHVURJKSA-N 2 1 356.470 0.803 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)CCC(F)(F)F ZINC000419197326 246048991 /nfs/dbraw/zinc/04/89/91/246048991.db2.gz BOFSRLQVVJOSIE-CYBMUJFWSA-N 2 1 366.428 0.964 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)CCC(F)(F)F ZINC000419197326 246048993 /nfs/dbraw/zinc/04/89/93/246048993.db2.gz BOFSRLQVVJOSIE-CYBMUJFWSA-N 2 1 366.428 0.964 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)CCC(F)(F)F ZINC000419200915 246050041 /nfs/dbraw/zinc/05/00/41/246050041.db2.gz FVGJADOKSMZZAM-VXGBXAGGSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)CCC(F)(F)F ZINC000419200915 246050047 /nfs/dbraw/zinc/05/00/47/246050047.db2.gz FVGJADOKSMZZAM-VXGBXAGGSA-N 2 1 352.401 0.586 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@@H]21 ZINC000419228624 246068347 /nfs/dbraw/zinc/06/83/47/246068347.db2.gz MOHKARMAIDUCAQ-VSZNYVQBSA-N 2 1 362.518 0.953 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419228520 246068789 /nfs/dbraw/zinc/06/87/89/246068789.db2.gz GUTMCSCUIUQJHX-ZOBUZTSGSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419228520 246068792 /nfs/dbraw/zinc/06/87/92/246068792.db2.gz GUTMCSCUIUQJHX-ZOBUZTSGSA-N 2 1 358.486 0.745 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419235292 246070205 /nfs/dbraw/zinc/07/02/05/246070205.db2.gz YTBGYZWSCZNOPZ-TVFCKZIOSA-N 2 1 362.518 0.871 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419234957 246070716 /nfs/dbraw/zinc/07/07/16/246070716.db2.gz YEXFZEFTHKXXMI-SOLBZPMBSA-N 2 1 358.486 0.834 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419233996 246070749 /nfs/dbraw/zinc/07/07/49/246070749.db2.gz XCUPAUJDQRHRNF-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419235354 246071256 /nfs/dbraw/zinc/07/12/56/246071256.db2.gz YVQALCBVNNIEJG-IAGOWNOFSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000419234953 246071904 /nfs/dbraw/zinc/07/19/04/246071904.db2.gz YEXFZEFTHKXXMI-NUJGCVRESA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419235520 246072497 /nfs/dbraw/zinc/07/24/97/246072497.db2.gz NBKIQIROUNLKSR-TZMCWYRMSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419235520 246072501 /nfs/dbraw/zinc/07/25/01/246072501.db2.gz NBKIQIROUNLKSR-TZMCWYRMSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419243493 246075182 /nfs/dbraw/zinc/07/51/82/246075182.db2.gz UHXFLGFCGTVQBT-CVEARBPZSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419243493 246075185 /nfs/dbraw/zinc/07/51/85/246075185.db2.gz UHXFLGFCGTVQBT-CVEARBPZSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000419245433 246076318 /nfs/dbraw/zinc/07/63/18/246076318.db2.gz VULLTTBNDDJKAO-GXTWGEPZSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000419245433 246076321 /nfs/dbraw/zinc/07/63/21/246076321.db2.gz VULLTTBNDDJKAO-GXTWGEPZSA-N 2 1 350.488 0.479 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249259 246077250 /nfs/dbraw/zinc/07/72/50/246077250.db2.gz YLDRFBRHSNUALR-FHLIZLRMSA-N 2 1 358.486 0.936 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249259 246077254 /nfs/dbraw/zinc/07/72/54/246077254.db2.gz YLDRFBRHSNUALR-FHLIZLRMSA-N 2 1 358.486 0.936 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419264150 246078487 /nfs/dbraw/zinc/07/84/87/246078487.db2.gz ANVXGVOERSYMOG-GOSISDBHSA-N 2 1 374.485 0.345 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C[NH+]1CCOCC1 ZINC000419294635 246089051 /nfs/dbraw/zinc/08/90/51/246089051.db2.gz BUYWQWHHIYMGSJ-ZBFHGGJFSA-N 2 1 354.495 0.095 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)[nH+]c1 ZINC000419303315 246090557 /nfs/dbraw/zinc/09/05/57/246090557.db2.gz RQHUCZNCFSKFHY-GOEBONIOSA-N 2 1 359.474 0.732 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000419301713 246091528 /nfs/dbraw/zinc/09/15/28/246091528.db2.gz OIXWJRBCKFUZJF-MRXNPFEDSA-N 2 1 362.474 0.058 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419388634 246130389 /nfs/dbraw/zinc/13/03/89/246130389.db2.gz SHANMUDPBWGJGX-TZMCWYRMSA-N 2 1 351.451 0.317 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000419386558 246128264 /nfs/dbraw/zinc/12/82/64/246128264.db2.gz DSUXAALEOWYNMN-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419389946 246128734 /nfs/dbraw/zinc/12/87/34/246128734.db2.gz FTJYQYPGHWEDAD-CVEARBPZSA-N 2 1 362.499 0.198 20 0 FCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419389946 246128740 /nfs/dbraw/zinc/12/87/40/246128740.db2.gz FTJYQYPGHWEDAD-CVEARBPZSA-N 2 1 362.499 0.198 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419392454 246129623 /nfs/dbraw/zinc/12/96/23/246129623.db2.gz LAOZKBIUEIZTKO-INIZCTEOSA-N 2 1 358.486 0.748 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419392454 246129627 /nfs/dbraw/zinc/12/96/27/246129627.db2.gz LAOZKBIUEIZTKO-INIZCTEOSA-N 2 1 358.486 0.748 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412857 246147700 /nfs/dbraw/zinc/14/77/00/246147700.db2.gz DMFGQSBOTAKRBC-QZTJIDSGSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412857 246147704 /nfs/dbraw/zinc/14/77/04/246147704.db2.gz DMFGQSBOTAKRBC-QZTJIDSGSA-N 2 1 373.501 0.041 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412857 246147708 /nfs/dbraw/zinc/14/77/08/246147708.db2.gz DMFGQSBOTAKRBC-QZTJIDSGSA-N 2 1 373.501 0.041 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000419414722 246149204 /nfs/dbraw/zinc/14/92/04/246149204.db2.gz UJKQEXMOOQZOJM-HNNXBMFYSA-N 2 1 352.504 0.925 20 0 FCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419389947 246131139 /nfs/dbraw/zinc/13/11/39/246131139.db2.gz FTJYQYPGHWEDAD-HOTGVXAUSA-N 2 1 362.499 0.198 20 0 FCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419389947 246131146 /nfs/dbraw/zinc/13/11/46/246131146.db2.gz FTJYQYPGHWEDAD-HOTGVXAUSA-N 2 1 362.499 0.198 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399705 246134239 /nfs/dbraw/zinc/13/42/39/246134239.db2.gz KEZPGGIMYXJYBO-QGTPRVQTSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399833 246134251 /nfs/dbraw/zinc/13/42/51/246134251.db2.gz ZTLWERMWBNWVBI-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399833 246134256 /nfs/dbraw/zinc/13/42/56/246134256.db2.gz ZTLWERMWBNWVBI-QAPCUYQASA-N 2 1 358.486 0.889 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398633 246135791 /nfs/dbraw/zinc/13/57/91/246135791.db2.gz IEZDSKAIQFMHSW-GDBMZVCRSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398633 246135797 /nfs/dbraw/zinc/13/57/97/246135797.db2.gz IEZDSKAIQFMHSW-GDBMZVCRSA-N 2 1 364.515 0.526 20 0 FCADMP [NH3+]CCCCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401830 246138016 /nfs/dbraw/zinc/13/80/16/246138016.db2.gz PNRZATHYEJHKNJ-MRXNPFEDSA-N 2 1 364.515 0.575 20 0 FCADMP [NH3+]CCCCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401830 246138022 /nfs/dbraw/zinc/13/80/22/246138022.db2.gz PNRZATHYEJHKNJ-MRXNPFEDSA-N 2 1 364.515 0.575 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408666 246140636 /nfs/dbraw/zinc/14/06/36/246140636.db2.gz CTQGWNOCCVOWEK-KZNAEPCWSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408666 246140641 /nfs/dbraw/zinc/14/06/41/246140641.db2.gz CTQGWNOCCVOWEK-KZNAEPCWSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407757 246143055 /nfs/dbraw/zinc/14/30/55/246143055.db2.gz YZXUMPSJEDBKGU-SOLBZPMBSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421777 246155137 /nfs/dbraw/zinc/15/51/37/246155137.db2.gz WAGYWVTYOHERFO-IRXDYDNUSA-N 2 1 362.474 0.199 20 0 FCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421777 246155140 /nfs/dbraw/zinc/15/51/40/246155140.db2.gz WAGYWVTYOHERFO-IRXDYDNUSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419418564 246151971 /nfs/dbraw/zinc/15/19/71/246151971.db2.gz IHNLIBIEPQAVRR-QFBILLFUSA-N 2 1 372.513 0.994 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419419425 246152356 /nfs/dbraw/zinc/15/23/56/246152356.db2.gz ZHJWQZWEEQRNDJ-MSOLQXFVSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501886 246182829 /nfs/dbraw/zinc/18/28/29/246182829.db2.gz FKEXCYIMKWFCRZ-IRXDYDNUSA-N 2 1 373.501 0.182 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419499836 246182930 /nfs/dbraw/zinc/18/29/30/246182930.db2.gz CQOMBYHXSZDLGR-OAHLLOKOSA-N 2 1 350.463 0.957 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419503846 246183246 /nfs/dbraw/zinc/18/32/46/246183246.db2.gz IKEKRXCJDSZJEJ-INIZCTEOSA-N 2 1 373.501 0.263 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419503808 246183365 /nfs/dbraw/zinc/18/33/65/246183365.db2.gz FHQJPQQFJFFNEW-QZTJIDSGSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505659 246183775 /nfs/dbraw/zinc/18/37/75/246183775.db2.gz MFUVVTPLXNBPSV-MAUKXSAKSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510340 246185290 /nfs/dbraw/zinc/18/52/90/246185290.db2.gz UCRMPAIXVGQPDL-SJORKVTESA-N 2 1 373.501 0.182 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419509083 246185666 /nfs/dbraw/zinc/18/56/66/246185666.db2.gz SMGGYJDBJDFSIC-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419511641 246185877 /nfs/dbraw/zinc/18/58/77/246185877.db2.gz ILHODVSWUHGKPG-HNNXBMFYSA-N 2 1 350.463 0.909 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419525831 246191831 /nfs/dbraw/zinc/19/18/31/246191831.db2.gz DPCYWXISFBMLPW-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000419476918 246175698 /nfs/dbraw/zinc/17/56/98/246175698.db2.gz QNQUUHDNZAPUAC-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419481870 246178820 /nfs/dbraw/zinc/17/88/20/246178820.db2.gz PVLJIEBFGXJGKN-MHORFTMASA-N 2 1 364.534 0.929 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000419528057 246193133 /nfs/dbraw/zinc/19/31/33/246193133.db2.gz VYEXRATZWJCTTF-IAGOWNOFSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419534747 246194534 /nfs/dbraw/zinc/19/45/34/246194534.db2.gz QQCRWQVYDLKEDC-WBVHZDCISA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533703 246194840 /nfs/dbraw/zinc/19/48/40/246194840.db2.gz PAXNCTVFWOJWBV-RANZSIQMSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419537717 246195072 /nfs/dbraw/zinc/19/50/72/246195072.db2.gz WECGFHCJWXNHDA-NXHRZFHOSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC[N@H+]1C ZINC000419539313 246197619 /nfs/dbraw/zinc/19/76/19/246197619.db2.gz AXWACODMZPKKON-XBVQOTNRSA-N 2 1 366.506 0.330 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419649264 246229372 /nfs/dbraw/zinc/22/93/72/246229372.db2.gz MYYFRGVXOZOJKY-JEBQAFNWSA-N 2 1 374.460 0.679 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000419665157 246237301 /nfs/dbraw/zinc/23/73/01/246237301.db2.gz SXPWAVCIYHKDOC-SOLBZPMBSA-N 2 1 358.486 0.976 20 0 FCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419721199 246270075 /nfs/dbraw/zinc/27/00/75/246270075.db2.gz GKJCQSBTNCTNJA-MRXNPFEDSA-N 2 1 366.506 0.476 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419690889 246252248 /nfs/dbraw/zinc/25/22/48/246252248.db2.gz CZGZJNQHWCKIHS-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419701392 246258059 /nfs/dbraw/zinc/25/80/59/246258059.db2.gz ASJXIQXWGZXAFX-SZMVWBNQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702971 246258946 /nfs/dbraw/zinc/25/89/46/246258946.db2.gz CVAGTEUAGLQVTG-OWLYRPNTSA-N 2 1 356.470 0.443 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419717443 246267178 /nfs/dbraw/zinc/26/71/78/246267178.db2.gz BHQPHIWHZUCCML-SJORKVTESA-N 2 1 366.506 0.206 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419754883 246284378 /nfs/dbraw/zinc/28/43/78/246284378.db2.gz BGZXRKIMNWDFFU-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419762399 246288502 /nfs/dbraw/zinc/28/85/02/246288502.db2.gz SBRXZBUQNFAZOW-OAHLLOKOSA-N 2 1 350.438 0.442 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419802009 246299011 /nfs/dbraw/zinc/29/90/11/246299011.db2.gz BDFBFPABYXWQIZ-DAYGRLMNSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419802009 246299016 /nfs/dbraw/zinc/29/90/16/246299016.db2.gz BDFBFPABYXWQIZ-DAYGRLMNSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419832237 246309564 /nfs/dbraw/zinc/30/95/64/246309564.db2.gz VOQBURQKQAKFGC-IIDMSEBBSA-N 2 1 374.485 0.472 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419836971 246311908 /nfs/dbraw/zinc/31/19/08/246311908.db2.gz CKTMPYNQTWQHIJ-FGTMMUONSA-N 2 1 356.470 0.445 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419834536 246312388 /nfs/dbraw/zinc/31/23/88/246312388.db2.gz SPRJOPFVERVSCV-IYBDPMFKSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])C[C@H](C)O1 ZINC000419835220 246313365 /nfs/dbraw/zinc/31/33/65/246313365.db2.gz YHYLDNGBSMBZEV-GASCZTMLSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])C[C@H](C)O1 ZINC000419835220 246313366 /nfs/dbraw/zinc/31/33/66/246313366.db2.gz YHYLDNGBSMBZEV-GASCZTMLSA-N 2 1 362.474 0.329 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419842996 246317374 /nfs/dbraw/zinc/31/73/74/246317374.db2.gz CGMWGECZKGQLBA-UHFFFAOYSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419865905 246336645 /nfs/dbraw/zinc/33/66/45/246336645.db2.gz BOJKFZRQICKRHR-KFWWJZLASA-N 2 1 352.479 0.084 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419933625 246375123 /nfs/dbraw/zinc/37/51/23/246375123.db2.gz FKFOOMZGUWDEHC-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419933625 246375130 /nfs/dbraw/zinc/37/51/30/246375130.db2.gz FKFOOMZGUWDEHC-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419890751 246354547 /nfs/dbraw/zinc/35/45/47/246354547.db2.gz MZWWZPODHHPWIP-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419890751 246354552 /nfs/dbraw/zinc/35/45/52/246354552.db2.gz MZWWZPODHHPWIP-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419906149 246362290 /nfs/dbraw/zinc/36/22/90/246362290.db2.gz ZWDRBDBBBAXSMI-AWEZNQCLSA-N 2 1 350.488 0.303 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419905080 246362378 /nfs/dbraw/zinc/36/23/78/246362378.db2.gz UPJFWOUYHPOVPW-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419947481 246382916 /nfs/dbraw/zinc/38/29/16/246382916.db2.gz CPPWMVCHSLYUIH-OAHLLOKOSA-N 2 1 366.531 0.924 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000419966663 246394456 /nfs/dbraw/zinc/39/44/56/246394456.db2.gz YWRCINFMKFVOBM-HNNXBMFYSA-N 2 1 356.511 0.293 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423356485 247012195 /nfs/dbraw/zinc/01/21/95/247012195.db2.gz JXMNPEGSCWZWTF-MRXNPFEDSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423356485 247012199 /nfs/dbraw/zinc/01/21/99/247012199.db2.gz JXMNPEGSCWZWTF-MRXNPFEDSA-N 2 1 354.495 0.141 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000423373648 247014156 /nfs/dbraw/zinc/01/41/56/247014156.db2.gz HMYQPCYEEDSLIW-QYZOEREBSA-N 2 1 372.513 0.986 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000423373648 247014159 /nfs/dbraw/zinc/01/41/59/247014159.db2.gz HMYQPCYEEDSLIW-QYZOEREBSA-N 2 1 372.513 0.986 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423364401 247014325 /nfs/dbraw/zinc/01/43/25/247014325.db2.gz AOCIBYCPSARUHB-SOLBZPMBSA-N 2 1 358.486 0.915 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423364401 247014329 /nfs/dbraw/zinc/01/43/29/247014329.db2.gz AOCIBYCPSARUHB-SOLBZPMBSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@@H+]1C ZINC000423393090 247018227 /nfs/dbraw/zinc/01/82/27/247018227.db2.gz YGMHVQHLOSZVEH-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@H+]1C ZINC000423393090 247018233 /nfs/dbraw/zinc/01/82/33/247018233.db2.gz YGMHVQHLOSZVEH-IRXDYDNUSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@H]1C ZINC000423406906 247020994 /nfs/dbraw/zinc/02/09/94/247020994.db2.gz ZIPPVSIXJNCQEY-OWCLPIDISA-N 2 1 366.506 0.141 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[C@H]1C ZINC000423406906 247020998 /nfs/dbraw/zinc/02/09/98/247020998.db2.gz ZIPPVSIXJNCQEY-OWCLPIDISA-N 2 1 366.506 0.141 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000423590884 247065751 /nfs/dbraw/zinc/06/57/51/247065751.db2.gz JMNYKEFPLIZZQV-OWCLPIDISA-N 2 1 352.479 0.086 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423442180 247027013 /nfs/dbraw/zinc/02/70/13/247027013.db2.gz JOHDAQMMGLIRHN-UHFFFAOYSA-N 2 1 356.511 0.247 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423437753 247027720 /nfs/dbraw/zinc/02/77/20/247027720.db2.gz GPPWCSXOYZXXMN-RYQLBKOJSA-N 2 1 358.486 0.740 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423486958 247035359 /nfs/dbraw/zinc/03/53/59/247035359.db2.gz WXFYWGPCSACCTH-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@H](C)O1 ZINC000423514860 247039787 /nfs/dbraw/zinc/03/97/87/247039787.db2.gz WYGMXVQZTFLRPC-GASCZTMLSA-N 2 1 354.495 0.141 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423518424 247040432 /nfs/dbraw/zinc/04/04/32/247040432.db2.gz OQWLEFKQPBVTOD-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423518424 247040437 /nfs/dbraw/zinc/04/04/37/247040437.db2.gz OQWLEFKQPBVTOD-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423518427 247040864 /nfs/dbraw/zinc/04/08/64/247040864.db2.gz OQWLEFKQPBVTOD-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423518427 247040871 /nfs/dbraw/zinc/04/08/71/247040871.db2.gz OQWLEFKQPBVTOD-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423608727 247074776 /nfs/dbraw/zinc/07/47/76/247074776.db2.gz OKBMTLHJCCIPMB-QRQLOZEOSA-N 2 1 370.497 0.787 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423624105 247081462 /nfs/dbraw/zinc/08/14/62/247081462.db2.gz BEFQBAJIYZGRDC-FUHWJXTLSA-N 2 1 358.486 0.569 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423640275 247087218 /nfs/dbraw/zinc/08/72/18/247087218.db2.gz WDEBKBAOKYPEGF-XLIONFOSSA-N 2 1 356.470 0.671 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423650689 247093284 /nfs/dbraw/zinc/09/32/84/247093284.db2.gz LSFIGPBULVUKFZ-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423705105 247117772 /nfs/dbraw/zinc/11/77/72/247117772.db2.gz GNOZYYRAMIRYBC-HXUWFJFHSA-N 2 1 358.486 0.789 20 0 FCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423712425 247120048 /nfs/dbraw/zinc/12/00/48/247120048.db2.gz OLIKTJHFQWDSEO-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423713452 247120325 /nfs/dbraw/zinc/12/03/25/247120325.db2.gz VTLJLMDMEBZWTR-MRXNPFEDSA-N 2 1 366.462 0.136 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000423717648 247121516 /nfs/dbraw/zinc/12/15/16/247121516.db2.gz BFGWTVYLUAEWAD-IEBWSBKVSA-N 2 1 372.513 0.959 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423730621 247131031 /nfs/dbraw/zinc/13/10/31/247131031.db2.gz NKEZYHOMOBDMRN-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC[NH2+]CC2 ZINC000424285090 247195910 /nfs/dbraw/zinc/19/59/10/247195910.db2.gz FBXVFFUUDFIOSK-ZDUSSCGKSA-N 2 1 366.487 0.737 20 0 FCADMP [NH3+]C1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CCN(Cc2ccccc2)CC1 ZINC000424036945 247162298 /nfs/dbraw/zinc/16/22/98/247162298.db2.gz IFVJZOQEDLNJNR-SFHVURJKSA-N 2 1 360.502 0.865 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424125506 247169278 /nfs/dbraw/zinc/16/92/78/247169278.db2.gz ACOFNFGYHFDEKP-QGZVFWFLSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424125506 247169283 /nfs/dbraw/zinc/16/92/83/247169283.db2.gz ACOFNFGYHFDEKP-QGZVFWFLSA-N 2 1 354.458 0.991 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000424141533 247171442 /nfs/dbraw/zinc/17/14/42/247171442.db2.gz CWKORQDZHQCSBB-CVEARBPZSA-N 2 1 362.478 0.387 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424151661 247173328 /nfs/dbraw/zinc/17/33/28/247173328.db2.gz HKTAHJQKWDGFAP-MRXNPFEDSA-N 2 1 363.510 0.206 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492254 247237654 /nfs/dbraw/zinc/23/76/54/247237654.db2.gz HFXSNYZARYDLTI-WZGPROSRSA-N 2 1 370.497 0.915 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000424498548 247241140 /nfs/dbraw/zinc/24/11/40/247241140.db2.gz ZXQAFDSXUCTIFP-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424497235 247241889 /nfs/dbraw/zinc/24/18/89/247241889.db2.gz WNTKOLUZOONSEU-WAOWUJCRSA-N 2 1 370.497 0.917 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000424535308 247254943 /nfs/dbraw/zinc/25/49/43/247254943.db2.gz ACPVGSSBHIFFGA-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424519482 247249000 /nfs/dbraw/zinc/24/90/00/247249000.db2.gz JODNIDWRMQZCKK-FUHWJXTLSA-N 2 1 356.470 0.588 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540024 247255746 /nfs/dbraw/zinc/25/57/46/247255746.db2.gz FYAQBBLEAVSZFX-QXCFHYIPSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000424540637 247256908 /nfs/dbraw/zinc/25/69/08/247256908.db2.gz DFDDPSNNNAAPIP-HOTGVXAUSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C[NH+]1CCOCC1 ZINC000424540641 247258089 /nfs/dbraw/zinc/25/80/89/247258089.db2.gz DFDDPSNNNAAPIP-HZPDHXFCSA-N 2 1 366.506 0.062 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000425391125 247332052 /nfs/dbraw/zinc/33/20/52/247332052.db2.gz RHTICTDMJZOPTJ-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000425391125 247332056 /nfs/dbraw/zinc/33/20/56/247332056.db2.gz RHTICTDMJZOPTJ-HZPDHXFCSA-N 2 1 368.522 0.354 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000425405532 247337205 /nfs/dbraw/zinc/33/72/05/247337205.db2.gz RBTNVGNNFABCFV-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669678 247359855 /nfs/dbraw/zinc/35/98/55/247359855.db2.gz CPBVWOGTJMGUTQ-HRCADAONSA-N 2 1 351.495 0.309 20 0 FCADMP C[NH+]1C[C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669678 247359858 /nfs/dbraw/zinc/35/98/58/247359858.db2.gz CPBVWOGTJMGUTQ-HRCADAONSA-N 2 1 351.495 0.309 20 0 FCADMP O=C(CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431298775 247762842 /nfs/dbraw/zinc/76/28/42/247762842.db2.gz VAOOLPHEISDUFL-MRXNPFEDSA-N 2 1 365.522 0.762 20 0 FCADMP CC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435628882 248005641 /nfs/dbraw/zinc/00/56/41/248005641.db2.gz WDIJFNBUEWHGPR-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP CC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435628882 248005644 /nfs/dbraw/zinc/00/56/44/248005644.db2.gz WDIJFNBUEWHGPR-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000436053239 248029742 /nfs/dbraw/zinc/02/97/42/248029742.db2.gz PGYCAGDMXDYSBM-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000436053239 248029746 /nfs/dbraw/zinc/02/97/46/248029746.db2.gz PGYCAGDMXDYSBM-GOSISDBHSA-N 2 1 358.486 0.891 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438886121 248099931 /nfs/dbraw/zinc/09/99/31/248099931.db2.gz LTECFNHRIZGGAK-KRWDZBQOSA-N 2 1 371.485 0.660 20 0 FCADMP CCn1nccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000439217339 248115099 /nfs/dbraw/zinc/11/50/99/248115099.db2.gz RJTHFWVMSKQTML-OAHLLOKOSA-N 2 1 364.494 0.716 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000440980598 248229227 /nfs/dbraw/zinc/22/92/27/248229227.db2.gz NHUSXZSSXJUNBM-KRWDZBQOSA-N 2 1 368.570 0.195 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440981914 248230132 /nfs/dbraw/zinc/23/01/32/248230132.db2.gz KWIJXQXPBDKDFM-UHFFFAOYSA-N 2 1 369.554 0.813 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)NCC2CC[NH+](CCO)CC2)CC1(C)C ZINC000442168474 248277413 /nfs/dbraw/zinc/27/74/13/248277413.db2.gz VDWSLMDDMXEUII-UHFFFAOYSA-N 2 1 355.527 0.016 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442596888 248292300 /nfs/dbraw/zinc/29/23/00/248292300.db2.gz WPCIWIFBVJXRLO-UHFFFAOYSA-N 2 1 368.570 0.338 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760305 248296190 /nfs/dbraw/zinc/29/61/90/248296190.db2.gz GGFYKVLESNFSAA-UONOGXRCSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000442760305 248296191 /nfs/dbraw/zinc/29/61/91/248296191.db2.gz GGFYKVLESNFSAA-UONOGXRCSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771504 248297434 /nfs/dbraw/zinc/29/74/34/248297434.db2.gz TZAJNQGMZRHXAK-DLBZAZTESA-N 2 1 360.502 0.804 20 0 FCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000442771504 248297436 /nfs/dbraw/zinc/29/74/36/248297436.db2.gz TZAJNQGMZRHXAK-DLBZAZTESA-N 2 1 360.502 0.804 20 0 FCADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000443859229 248342313 /nfs/dbraw/zinc/34/23/13/248342313.db2.gz XOTWEJLJYFCNQO-MRXNPFEDSA-N 2 1 352.504 0.691 20 0 FCADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000443859229 248342314 /nfs/dbraw/zinc/34/23/14/248342314.db2.gz XOTWEJLJYFCNQO-MRXNPFEDSA-N 2 1 352.504 0.691 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446369848 248388194 /nfs/dbraw/zinc/38/81/94/248388194.db2.gz OSYWKLXZSMOPMY-IDHHARJASA-N 2 1 366.506 0.188 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452801456 249330884 /nfs/dbraw/zinc/33/08/84/249330884.db2.gz YEJPBBYXKWWCEH-QGZVFWFLSA-N 2 1 353.507 0.985 20 0 FCADMP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc12 ZINC000469988128 250017372 /nfs/dbraw/zinc/01/73/72/250017372.db2.gz AWZMTVLQNYVFRP-MRXNPFEDSA-N 2 1 356.474 0.921 20 0 FCADMP CC(C)[N@H+]1CCc2nc(CN(C)CC(=O)N3CC[NH2+]CC3)sc2C1 ZINC000469988571 250018750 /nfs/dbraw/zinc/01/87/50/250018750.db2.gz CLOJJEAZLRHWMG-UHFFFAOYSA-N 2 1 351.520 0.773 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000472270669 250143393 /nfs/dbraw/zinc/14/33/93/250143393.db2.gz ARUZVFHWTIDWFG-KRWDZBQOSA-N 2 1 369.506 0.831 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000472918063 250188351 /nfs/dbraw/zinc/18/83/51/250188351.db2.gz LROOEJILCJVOQF-QGZVFWFLSA-N 2 1 356.511 0.851 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000473748385 250249903 /nfs/dbraw/zinc/24/99/03/250249903.db2.gz KIGZDSBLUJSCHL-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932481 250256830 /nfs/dbraw/zinc/25/68/30/250256830.db2.gz MHLWINCUBQMRAL-HUUCEWRRSA-N 2 1 351.499 0.934 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000481804350 250362198 /nfs/dbraw/zinc/36/21/98/250362198.db2.gz DYGWZEYIVWARJT-AIANPOQGSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000481804350 250362201 /nfs/dbraw/zinc/36/22/01/250362201.db2.gz DYGWZEYIVWARJT-AIANPOQGSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000481804350 250362207 /nfs/dbraw/zinc/36/22/07/250362207.db2.gz DYGWZEYIVWARJT-AIANPOQGSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)CC2)[nH+]1 ZINC000481821003 250364579 /nfs/dbraw/zinc/36/45/79/250364579.db2.gz AXQHPSSEOXLARG-RHSMWYFYSA-N 2 1 373.501 0.884 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC[N@@H+](C)C1 ZINC000413375537 532994669 /nfs/dbraw/zinc/99/46/69/532994669.db2.gz MXULALXZPHHQEN-JKSUJKDBSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375537 532994676 /nfs/dbraw/zinc/99/46/76/532994676.db2.gz MXULALXZPHHQEN-JKSUJKDBSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC[NH+](C)C1 ZINC000413375537 532994681 /nfs/dbraw/zinc/99/46/81/532994681.db2.gz MXULALXZPHHQEN-JKSUJKDBSA-N 2 1 354.495 0.711 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CC[N@@H+](C)C1 ZINC000413098737 532995902 /nfs/dbraw/zinc/99/59/02/532995902.db2.gz COWYQIAYEZXJJX-HRCADAONSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC[NH+](C)C1 ZINC000413098737 532995906 /nfs/dbraw/zinc/99/59/06/532995906.db2.gz COWYQIAYEZXJJX-HRCADAONSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC[NH+](C)C1 ZINC000413098737 532995910 /nfs/dbraw/zinc/99/59/10/532995910.db2.gz COWYQIAYEZXJJX-HRCADAONSA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413322776 532996844 /nfs/dbraw/zinc/99/68/44/532996844.db2.gz IMFNGEQRZFAKBV-SJORKVTESA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322776 532996850 /nfs/dbraw/zinc/99/68/50/532996850.db2.gz IMFNGEQRZFAKBV-SJORKVTESA-N 2 1 366.506 0.997 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+](C)C1 ZINC000413322776 532996853 /nfs/dbraw/zinc/99/68/53/532996853.db2.gz IMFNGEQRZFAKBV-SJORKVTESA-N 2 1 366.506 0.997 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000069506455 208033916 /nfs/dbraw/zinc/03/39/16/208033916.db2.gz IGDFYFVQCNBRRI-INIZCTEOSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000069506455 208033920 /nfs/dbraw/zinc/03/39/20/208033920.db2.gz IGDFYFVQCNBRRI-INIZCTEOSA-N 2 1 365.522 0.855 20 0 FCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000079123879 208088502 /nfs/dbraw/zinc/08/85/02/208088502.db2.gz RUISSMWIVRGMKV-KRWDZBQOSA-N 2 1 360.458 0.716 20 0 FCADMP C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000101640047 208166090 /nfs/dbraw/zinc/16/60/90/208166090.db2.gz NRLVZKUJYFFCSV-IBGZPJMESA-N 2 1 373.545 0.951 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105137404 208194412 /nfs/dbraw/zinc/19/44/12/208194412.db2.gz NBEYPZOIWDBABY-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105137404 208194415 /nfs/dbraw/zinc/19/44/15/208194415.db2.gz NBEYPZOIWDBABY-HNNXBMFYSA-N 2 1 353.511 0.616 20 0 FCADMP Cc1cc(=O)n2nc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)sc2n1 ZINC000106125786 208211273 /nfs/dbraw/zinc/21/12/73/208211273.db2.gz VITOLAUZZLLZGT-ZDUSSCGKSA-N 2 1 365.503 0.984 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC1 ZINC000108873433 208250282 /nfs/dbraw/zinc/25/02/82/208250282.db2.gz ICRPNTKDFQWUKO-UHFFFAOYSA-N 2 1 364.490 0.402 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000931873712 674149083 /nfs/dbraw/zinc/14/90/83/674149083.db2.gz VRXPHFLZWUVIGU-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000931873712 674149075 /nfs/dbraw/zinc/14/90/75/674149075.db2.gz VRXPHFLZWUVIGU-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000931873712 674149078 /nfs/dbraw/zinc/14/90/78/674149078.db2.gz VRXPHFLZWUVIGU-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000931873712 674149081 /nfs/dbraw/zinc/14/90/81/674149081.db2.gz VRXPHFLZWUVIGU-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000117024871 208340491 /nfs/dbraw/zinc/34/04/91/208340491.db2.gz ABUOZSMFJRFZMZ-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000119290127 208358720 /nfs/dbraw/zinc/35/87/20/208358720.db2.gz GKFGCRBCJVQBEQ-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931875715 674149540 /nfs/dbraw/zinc/14/95/40/674149540.db2.gz CXOYRSCMVXNCNH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931875715 674149542 /nfs/dbraw/zinc/14/95/42/674149542.db2.gz CXOYRSCMVXNCNH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931875715 674149543 /nfs/dbraw/zinc/14/95/43/674149543.db2.gz CXOYRSCMVXNCNH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931875715 674149546 /nfs/dbraw/zinc/14/95/46/674149546.db2.gz CXOYRSCMVXNCNH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119839937 208369538 /nfs/dbraw/zinc/36/95/38/208369538.db2.gz NBWAJKHVQXPTFX-APWZRJJASA-N 2 1 360.502 0.158 20 0 FCADMP C[C@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000119839937 208369542 /nfs/dbraw/zinc/36/95/42/208369542.db2.gz NBWAJKHVQXPTFX-APWZRJJASA-N 2 1 360.502 0.158 20 0 FCADMP C[C@@H](CN1CCOCC1)NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000121224941 208399418 /nfs/dbraw/zinc/39/94/18/208399418.db2.gz IJXDCNNLDHTGHC-KRWDZBQOSA-N 2 1 361.490 0.431 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000176338476 209001839 /nfs/dbraw/zinc/00/18/39/209001839.db2.gz BHFBIQAVFNFRDL-UHFFFAOYSA-N 2 1 373.501 0.713 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000176338476 209001844 /nfs/dbraw/zinc/00/18/44/209001844.db2.gz BHFBIQAVFNFRDL-UHFFFAOYSA-N 2 1 373.501 0.713 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000176991480 209014856 /nfs/dbraw/zinc/01/48/56/209014856.db2.gz AXDQOIYTUCJDKW-IBGZPJMESA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000176991480 209014860 /nfs/dbraw/zinc/01/48/60/209014860.db2.gz AXDQOIYTUCJDKW-IBGZPJMESA-N 2 1 361.486 0.980 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CN1CCOCC1 ZINC000178320871 209048483 /nfs/dbraw/zinc/04/84/83/209048483.db2.gz XRZLEOJFRNMVDO-APWZRJJASA-N 2 1 353.507 0.840 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320871 209048485 /nfs/dbraw/zinc/04/84/85/209048485.db2.gz XRZLEOJFRNMVDO-APWZRJJASA-N 2 1 353.507 0.840 20 0 FCADMP C[C@](O)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000178320871 209048490 /nfs/dbraw/zinc/04/84/90/209048490.db2.gz XRZLEOJFRNMVDO-APWZRJJASA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178671133 209055735 /nfs/dbraw/zinc/05/57/35/209055735.db2.gz IBCQKNYSVGOEJF-CQSZACIVSA-N 2 1 368.503 0.873 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000178884713 209063474 /nfs/dbraw/zinc/06/34/74/209063474.db2.gz MTLRMFQQYLWEDL-PMACEKPBSA-N 2 1 374.529 0.810 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+](C)C1 ZINC000413346626 533480316 /nfs/dbraw/zinc/48/03/16/533480316.db2.gz IIKCXUDDYKXLBU-BBRMVZONSA-N 2 1 358.508 0.170 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410433133 230077601 /nfs/dbraw/zinc/07/76/01/230077601.db2.gz KZKSSHSVCPVOTI-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)CC2)c1 ZINC000410468757 230091700 /nfs/dbraw/zinc/09/17/00/230091700.db2.gz BMKKDWIXFXVEJJ-INIZCTEOSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)CC[C@@H]3C)CC2)c1 ZINC000410468757 230091704 /nfs/dbraw/zinc/09/17/04/230091704.db2.gz BMKKDWIXFXVEJJ-INIZCTEOSA-N 2 1 359.474 0.591 20 0 FCADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581474 230141904 /nfs/dbraw/zinc/14/19/04/230141904.db2.gz BHMGACLPANKJHJ-NVXWUHKLSA-N 2 1 373.501 0.896 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410581474 230141907 /nfs/dbraw/zinc/14/19/07/230141907.db2.gz BHMGACLPANKJHJ-NVXWUHKLSA-N 2 1 373.501 0.896 20 0 FCADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000410774478 230242697 /nfs/dbraw/zinc/24/26/97/230242697.db2.gz YTORCZUWOZFHIW-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410781317 230246176 /nfs/dbraw/zinc/24/61/76/230246176.db2.gz BSMXERTYRGSBHB-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410938516 230312314 /nfs/dbraw/zinc/31/23/14/230312314.db2.gz OPIPPMVOHOHCAP-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410938516 230312318 /nfs/dbraw/zinc/31/23/18/230312318.db2.gz OPIPPMVOHOHCAP-INIZCTEOSA-N 2 1 368.522 0.234 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410963160 230331133 /nfs/dbraw/zinc/33/11/33/230331133.db2.gz MKACTFPDJXRYTB-NZSAHSFTSA-N 2 1 372.513 0.934 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000515410805 484488943 /nfs/dbraw/zinc/48/89/43/484488943.db2.gz QTMLLDAOOSMPGA-CQSZACIVSA-N 2 1 362.478 0.546 20 0 FCADMP C[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000363673634 488872219 /nfs/dbraw/zinc/87/22/19/488872219.db2.gz RTSRQTKXMSPBIO-FGTMMUONSA-N 2 1 366.550 0.970 20 0 FCADMP C[C@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000363673634 488872221 /nfs/dbraw/zinc/87/22/21/488872221.db2.gz RTSRQTKXMSPBIO-FGTMMUONSA-N 2 1 366.550 0.970 20 0 FCADMP CCN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000301056069 488875758 /nfs/dbraw/zinc/87/57/58/488875758.db2.gz KBLHALRXSWSUHN-UHFFFAOYSA-N 2 1 353.492 0.160 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000287534651 488878963 /nfs/dbraw/zinc/87/89/63/488878963.db2.gz BYQFJFUIAKGAGN-OAHLLOKOSA-N 2 1 365.478 0.230 20 0 FCADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000324842576 488907973 /nfs/dbraw/zinc/90/79/73/488907973.db2.gz CMPAORRIPLLCKI-DZGCQCFKSA-N 2 1 353.488 0.938 20 0 FCADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000324842576 488907975 /nfs/dbraw/zinc/90/79/75/488907975.db2.gz CMPAORRIPLLCKI-DZGCQCFKSA-N 2 1 353.488 0.938 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(CO)COC(C)(C)OC1)c1ccccc1 ZINC000279211850 488924907 /nfs/dbraw/zinc/92/49/07/488924907.db2.gz HAMRGRQCZMFXOP-MRXNPFEDSA-N 2 1 365.474 0.509 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000364177176 488931168 /nfs/dbraw/zinc/93/11/68/488931168.db2.gz YPPVWIBPCGWUIV-IXDOHACOSA-N 2 1 365.522 0.317 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1C1CC1 ZINC000364177176 488931171 /nfs/dbraw/zinc/93/11/71/488931171.db2.gz YPPVWIBPCGWUIV-IXDOHACOSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)(N2CCCCC2)CC1 ZINC000562803848 491190566 /nfs/dbraw/zinc/19/05/66/491190566.db2.gz DZMONGKROLHJAZ-KRWDZBQOSA-N 2 1 367.538 0.696 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000364215134 488937001 /nfs/dbraw/zinc/93/70/01/488937001.db2.gz NKMJRAZMKFIWKJ-XLIONFOSSA-N 2 1 356.470 0.941 20 0 FCADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000328948185 488954195 /nfs/dbraw/zinc/95/41/95/488954195.db2.gz KMORDNDBZMXRHH-QFBILLFUSA-N 2 1 361.490 0.738 20 0 FCADMP C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000047885511 488047348 /nfs/dbraw/zinc/04/73/48/488047348.db2.gz IANFZDPOHHSJCD-UHFFFAOYSA-N 2 1 373.501 0.968 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959016 488152925 /nfs/dbraw/zinc/15/29/25/488152925.db2.gz XARMRKSVCBMCOM-UHFFFAOYSA-N 2 1 354.495 0.015 20 0 FCADMP O=C(CNC(=O)N1CCC(CCCn2ccnc2)CC1)N1CCNCC1 ZINC000562813231 491191427 /nfs/dbraw/zinc/19/14/27/491191427.db2.gz SQDKUIWDAWQJLY-UHFFFAOYSA-N 2 1 362.478 0.517 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000562817269 491192129 /nfs/dbraw/zinc/19/21/29/491192129.db2.gz YGZUOSBSQFVANO-QGZVFWFLSA-N 2 1 365.522 0.700 20 0 FCADMP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069017129 488370449 /nfs/dbraw/zinc/37/04/49/488370449.db2.gz RWIARTNJYXORPN-KKUMJFAQSA-N 2 1 355.479 0.485 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805364 488374074 /nfs/dbraw/zinc/37/40/74/488374074.db2.gz HDFMVHYSZFBZAW-QGZVFWFLSA-N 2 1 364.534 0.774 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805364 488374075 /nfs/dbraw/zinc/37/40/75/488374075.db2.gz HDFMVHYSZFBZAW-QGZVFWFLSA-N 2 1 364.534 0.774 20 0 FCADMP CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074193150 488388594 /nfs/dbraw/zinc/38/85/94/488388594.db2.gz YXSBFOCLIGJPBX-DLBZAZTESA-N 2 1 368.522 0.260 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315935 488390497 /nfs/dbraw/zinc/39/04/97/488390497.db2.gz BROQIMZNGVPOQN-SJORKVTESA-N 2 1 350.507 0.587 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345236 488390666 /nfs/dbraw/zinc/39/06/66/488390666.db2.gz STQBKRFKHVBWQE-HOCLYGCPSA-N 2 1 364.494 0.714 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345236 488390668 /nfs/dbraw/zinc/39/06/68/488390668.db2.gz STQBKRFKHVBWQE-HOCLYGCPSA-N 2 1 364.494 0.714 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345459 488390706 /nfs/dbraw/zinc/39/07/06/488390706.db2.gz YTBNPLBNDVUFOW-SJORKVTESA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345459 488390709 /nfs/dbraw/zinc/39/07/09/488390709.db2.gz YTBNPLBNDVUFOW-SJORKVTESA-N 2 1 367.538 0.947 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345459 488390710 /nfs/dbraw/zinc/39/07/10/488390710.db2.gz YTBNPLBNDVUFOW-SJORKVTESA-N 2 1 367.538 0.947 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC000074345133 488390786 /nfs/dbraw/zinc/39/07/86/488390786.db2.gz DOAHFWKEMNJJMH-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000074345468 488390812 /nfs/dbraw/zinc/39/08/12/488390812.db2.gz OTTLYWDYAWEQPO-MRXNPFEDSA-N 2 1 365.522 0.844 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345475 488390826 /nfs/dbraw/zinc/39/08/26/488390826.db2.gz BOSFBGXLJZWGTA-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345475 488390828 /nfs/dbraw/zinc/39/08/28/488390828.db2.gz BOSFBGXLJZWGTA-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345475 488390831 /nfs/dbraw/zinc/39/08/31/488390831.db2.gz BOSFBGXLJZWGTA-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000074345141 488391020 /nfs/dbraw/zinc/39/10/20/488391020.db2.gz YOFYLORJKLLGOU-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490716 488392301 /nfs/dbraw/zinc/39/23/01/488392301.db2.gz GLUZUHBOPQPRFW-CYBMUJFWSA-N 2 1 354.524 0.997 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000074616588 488392899 /nfs/dbraw/zinc/39/28/99/488392899.db2.gz MEWDDFLUYSZZMV-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000074616588 488392902 /nfs/dbraw/zinc/39/29/02/488392902.db2.gz MEWDDFLUYSZZMV-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000074616588 488392904 /nfs/dbraw/zinc/39/29/04/488392904.db2.gz MEWDDFLUYSZZMV-KRWDZBQOSA-N 2 1 355.527 0.376 20 0 FCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000074850435 488394010 /nfs/dbraw/zinc/39/40/10/488394010.db2.gz FATFHGOCVXRVBY-QGZVFWFLSA-N 2 1 365.522 0.524 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000074850435 488394013 /nfs/dbraw/zinc/39/40/13/488394013.db2.gz FATFHGOCVXRVBY-QGZVFWFLSA-N 2 1 365.522 0.524 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000554336215 491195043 /nfs/dbraw/zinc/19/50/43/491195043.db2.gz WRHVPUXEKCHAKT-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000554336215 491195046 /nfs/dbraw/zinc/19/50/46/491195046.db2.gz WRHVPUXEKCHAKT-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000554336215 491195048 /nfs/dbraw/zinc/19/50/48/491195048.db2.gz WRHVPUXEKCHAKT-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000554336215 491195050 /nfs/dbraw/zinc/19/50/50/491195050.db2.gz WRHVPUXEKCHAKT-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000184417300 488396612 /nfs/dbraw/zinc/39/66/12/488396612.db2.gz IXFUATRVNIDXQK-OAHLLOKOSA-N 2 1 351.499 0.592 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185153062 488399307 /nfs/dbraw/zinc/39/93/07/488399307.db2.gz NMVHIKZAGOLAJW-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185153062 488399310 /nfs/dbraw/zinc/39/93/10/488399310.db2.gz NMVHIKZAGOLAJW-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000076333970 488403931 /nfs/dbraw/zinc/40/39/31/488403931.db2.gz WNMLLLWIMXTKPI-HNNXBMFYSA-N 2 1 360.458 0.918 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000076971785 488407958 /nfs/dbraw/zinc/40/79/58/488407958.db2.gz LDWCZHKLHFNVRK-HZPDHXFCSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000076971785 488407959 /nfs/dbraw/zinc/40/79/59/488407959.db2.gz LDWCZHKLHFNVRK-HZPDHXFCSA-N 2 1 351.495 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000076971785 488407960 /nfs/dbraw/zinc/40/79/60/488407960.db2.gz LDWCZHKLHFNVRK-HZPDHXFCSA-N 2 1 351.495 0.357 20 0 FCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193873325 488430138 /nfs/dbraw/zinc/43/01/38/488430138.db2.gz YTHSBGWESFNGLZ-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000193873325 488430140 /nfs/dbraw/zinc/43/01/40/488430140.db2.gz YTHSBGWESFNGLZ-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000194144917 488431178 /nfs/dbraw/zinc/43/11/78/488431178.db2.gz RQKWUBGOVWOVRD-VQIMIIECSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081376846 488441584 /nfs/dbraw/zinc/44/15/84/488441584.db2.gz GTZKJFHNJBZCFG-SFHVURJKSA-N 2 1 374.485 0.459 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000081376846 488441586 /nfs/dbraw/zinc/44/15/86/488441586.db2.gz GTZKJFHNJBZCFG-SFHVURJKSA-N 2 1 374.485 0.459 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)n1C ZINC000083720516 488448610 /nfs/dbraw/zinc/44/86/10/488448610.db2.gz YVZWEDFWZLMTPA-UHFFFAOYSA-N 2 1 364.494 0.930 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000268899898 488455933 /nfs/dbraw/zinc/45/59/33/488455933.db2.gz SBLAPWRXWJMTCP-GOSISDBHSA-N 2 1 363.481 0.899 20 0 FCADMP CN1CCN(C)[C@H](CNC(=O)N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000268899898 488455934 /nfs/dbraw/zinc/45/59/34/488455934.db2.gz SBLAPWRXWJMTCP-GOSISDBHSA-N 2 1 363.481 0.899 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCCN1CC[NH2+]CC1 ZINC000238073081 488458078 /nfs/dbraw/zinc/45/80/78/488458078.db2.gz IOJGJOJQAQEBHH-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCCN1CC[NH2+]CC1 ZINC000238073081 488458079 /nfs/dbraw/zinc/45/80/79/488458079.db2.gz IOJGJOJQAQEBHH-LJQANCHMSA-N 2 1 360.502 0.689 20 0 FCADMP CC[NH+]1CCN(CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961964 488459454 /nfs/dbraw/zinc/45/94/54/488459454.db2.gz JTFIICOJERMFCJ-RTBURBONSA-N 2 1 360.502 0.376 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187537 488470290 /nfs/dbraw/zinc/47/02/90/488470290.db2.gz WTNFTDZXOKFWGV-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187537 488470293 /nfs/dbraw/zinc/47/02/93/488470293.db2.gz WTNFTDZXOKFWGV-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187537 488470295 /nfs/dbraw/zinc/47/02/95/488470295.db2.gz WTNFTDZXOKFWGV-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187537 488470298 /nfs/dbraw/zinc/47/02/98/488470298.db2.gz WTNFTDZXOKFWGV-HZPDHXFCSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187531 488470514 /nfs/dbraw/zinc/47/05/14/488470514.db2.gz WTNFTDZXOKFWGV-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187531 488470515 /nfs/dbraw/zinc/47/05/15/488470515.db2.gz WTNFTDZXOKFWGV-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187531 488470517 /nfs/dbraw/zinc/47/05/17/488470517.db2.gz WTNFTDZXOKFWGV-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000246187531 488470519 /nfs/dbraw/zinc/47/05/19/488470519.db2.gz WTNFTDZXOKFWGV-CVEARBPZSA-N 2 1 354.495 0.997 20 0 FCADMP [NH3+]C[C@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000269293923 488488089 /nfs/dbraw/zinc/48/80/89/488488089.db2.gz MSNZIKBNJFRHAZ-SFHVURJKSA-N 2 1 368.485 0.847 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000248397298 488495317 /nfs/dbraw/zinc/49/53/17/488495317.db2.gz HUVAVFHXYWOWGV-GJZGRUSLSA-N 2 1 350.463 0.549 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000248397298 488495319 /nfs/dbraw/zinc/49/53/19/488495319.db2.gz HUVAVFHXYWOWGV-GJZGRUSLSA-N 2 1 350.463 0.549 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000248372926 488495630 /nfs/dbraw/zinc/49/56/30/488495630.db2.gz DTOKTRNNFLXFLE-JKSUJKDBSA-N 2 1 350.507 0.825 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103313477 488500689 /nfs/dbraw/zinc/50/06/89/488500689.db2.gz SZFPVCJWCZZURX-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104800838 488505740 /nfs/dbraw/zinc/50/57/40/488505740.db2.gz NTXZTXAXHRZWQO-QGZVFWFLSA-N 2 1 367.538 0.995 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000249301335 488508328 /nfs/dbraw/zinc/50/83/28/488508328.db2.gz HELKDKOZLOFVGP-HZPDHXFCSA-N 2 1 370.563 0.921 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249363953 488509110 /nfs/dbraw/zinc/50/91/10/488509110.db2.gz VMBXQCAWYJWTCV-CKZPPYNSSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249363953 488509111 /nfs/dbraw/zinc/50/91/11/488509111.db2.gz VMBXQCAWYJWTCV-CKZPPYNSSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249363953 488509113 /nfs/dbraw/zinc/50/91/13/488509113.db2.gz VMBXQCAWYJWTCV-CKZPPYNSSA-N 2 1 368.566 0.316 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249802498 488514617 /nfs/dbraw/zinc/51/46/17/488514617.db2.gz ZHQHWOYMOJBYKO-BBWFWOEESA-N 2 1 367.538 0.816 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249802498 488514618 /nfs/dbraw/zinc/51/46/18/488514618.db2.gz ZHQHWOYMOJBYKO-BBWFWOEESA-N 2 1 367.538 0.816 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000252465313 488517864 /nfs/dbraw/zinc/51/78/64/488517864.db2.gz PXERICONMHBQNW-XHSDSOJGSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000108590433 488520343 /nfs/dbraw/zinc/52/03/43/488520343.db2.gz BQNWJAHUZJCRRQ-INIZCTEOSA-N 2 1 351.495 0.278 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261646725 488528931 /nfs/dbraw/zinc/52/89/31/488528931.db2.gz ADDCTYMPVRBUTI-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261847327 488537972 /nfs/dbraw/zinc/53/79/72/488537972.db2.gz MARVDZWSBZVUBB-KGLIPLIRSA-N 2 1 367.494 0.191 20 0 FCADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261847327 488537974 /nfs/dbraw/zinc/53/79/74/488537974.db2.gz MARVDZWSBZVUBB-KGLIPLIRSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261906872 488540925 /nfs/dbraw/zinc/54/09/25/488540925.db2.gz XCVRWOCETRODGX-MAUKXSAKSA-N 2 1 361.490 0.462 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261904592 488541290 /nfs/dbraw/zinc/54/12/90/488541290.db2.gz WWTQWFYOZQOPKR-LJQANCHMSA-N 2 1 374.485 0.696 20 0 FCADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000262019600 488546286 /nfs/dbraw/zinc/54/62/86/488546286.db2.gz XIWYTSYTVAHEIJ-UHFFFAOYSA-N 2 1 354.476 0.594 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000117029431 488550004 /nfs/dbraw/zinc/55/00/04/488550004.db2.gz UUFCZKNZSVRPOG-IAGOWNOFSA-N 2 1 356.511 0.705 20 0 FCADMP C[NH2+][C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1cnn(C)c1 ZINC000262333901 488564776 /nfs/dbraw/zinc/56/47/76/488564776.db2.gz HBQVHUISGSJSKT-INIZCTEOSA-N 2 1 372.429 0.789 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122109146 488575644 /nfs/dbraw/zinc/57/56/44/488575644.db2.gz ADDCTYMPVRBUTI-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)C1 ZINC000262650705 488584674 /nfs/dbraw/zinc/58/46/74/488584674.db2.gz QVEXAQALJQBWKF-ROUUACIJSA-N 2 1 358.486 1.000 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000262770631 488591744 /nfs/dbraw/zinc/59/17/44/488591744.db2.gz HREUFADMJBOCHC-KXBFYZLASA-N 2 1 368.522 0.626 20 0 FCADMP C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000126339685 488608630 /nfs/dbraw/zinc/60/86/30/488608630.db2.gz BRVWVXNRJJEHAY-IZHWHUGBSA-N 2 1 352.504 0.819 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000273229031 488639303 /nfs/dbraw/zinc/63/93/03/488639303.db2.gz UDJBCSAZSMYHJQ-FQEVSTJZSA-N 2 1 374.529 0.938 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000273341803 488645199 /nfs/dbraw/zinc/64/51/99/488645199.db2.gz QQGGOWNZSZMQAP-MISYRCLQSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000273341803 488645203 /nfs/dbraw/zinc/64/52/03/488645203.db2.gz QQGGOWNZSZMQAP-MISYRCLQSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133533970 488660495 /nfs/dbraw/zinc/66/04/95/488660495.db2.gz JFVIPOKLNRFSBT-HNNXBMFYSA-N 2 1 364.494 0.764 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cc[nH+]1 ZINC000133883539 488662512 /nfs/dbraw/zinc/66/25/12/488662512.db2.gz WOSHZVPZTJMFGI-CYBMUJFWSA-N 2 1 350.492 0.286 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000138441247 488682412 /nfs/dbraw/zinc/68/24/12/488682412.db2.gz YIEIYUVPHNQHPX-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000138441247 488682414 /nfs/dbraw/zinc/68/24/14/488682414.db2.gz YIEIYUVPHNQHPX-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000138441247 488682416 /nfs/dbraw/zinc/68/24/16/488682416.db2.gz YIEIYUVPHNQHPX-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151938436 488711963 /nfs/dbraw/zinc/71/19/63/488711963.db2.gz XDWXHFFPFIQMIO-LSDHHAIUSA-N 2 1 364.494 0.620 20 0 FCADMP C[C@H](CN1CCN(C)CC1)NC(=O)c1ccccc1CN1CCOCC1 ZINC000266143520 488723882 /nfs/dbraw/zinc/72/38/82/488723882.db2.gz RIYSEBUNVUDVPM-QGZVFWFLSA-N 2 1 360.502 0.885 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266863128 488738204 /nfs/dbraw/zinc/73/82/04/488738204.db2.gz VIRWBUDFBABCJJ-UHFFFAOYSA-N 2 1 363.506 0.678 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000155363766 488754895 /nfs/dbraw/zinc/75/48/95/488754895.db2.gz DYFBIGAOKJXBHS-CABCVRRESA-N 2 1 356.536 0.483 20 0 FCADMP CC(C)OCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267235652 488771945 /nfs/dbraw/zinc/77/19/45/488771945.db2.gz XHMMOAMKOVCXNQ-UHFFFAOYSA-N 2 1 370.519 0.938 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)cs1 ZINC000162344968 488801895 /nfs/dbraw/zinc/80/18/95/488801895.db2.gz QGJUVGMUZRRIMD-INIZCTEOSA-N 2 1 351.520 0.765 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000171880354 488827904 /nfs/dbraw/zinc/82/79/04/488827904.db2.gz FQBLXSBPVUCJAB-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000171880354 488827905 /nfs/dbraw/zinc/82/79/05/488827905.db2.gz FQBLXSBPVUCJAB-GOSISDBHSA-N 2 1 358.486 0.931 20 0 FCADMP O=C(NCCN1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171903021 488828389 /nfs/dbraw/zinc/82/83/89/488828389.db2.gz TXSUOUGWBCYTCV-INIZCTEOSA-N 2 1 359.478 0.088 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000173682008 488844690 /nfs/dbraw/zinc/84/46/90/488844690.db2.gz BHJVLWLNBCEWLJ-NVXWUHKLSA-N 2 1 363.506 0.940 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176013621 488857023 /nfs/dbraw/zinc/85/70/23/488857023.db2.gz HTMXGOLJJSDLLT-AEFFLSMTSA-N 2 1 354.539 0.779 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000177524831 488859651 /nfs/dbraw/zinc/85/96/51/488859651.db2.gz ZKOKIPDUOPOTSR-UHFFFAOYSA-N 2 1 362.474 0.602 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000178157591 488860090 /nfs/dbraw/zinc/86/00/90/488860090.db2.gz BWRVENNDRTYVRF-KRWDZBQOSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075147 488863017 /nfs/dbraw/zinc/86/30/17/488863017.db2.gz WTNFTDZXOKFWGV-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075147 488863018 /nfs/dbraw/zinc/86/30/18/488863018.db2.gz WTNFTDZXOKFWGV-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075147 488863019 /nfs/dbraw/zinc/86/30/19/488863019.db2.gz WTNFTDZXOKFWGV-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075147 488863020 /nfs/dbraw/zinc/86/30/20/488863020.db2.gz WTNFTDZXOKFWGV-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075147 488863021 /nfs/dbraw/zinc/86/30/21/488863021.db2.gz WTNFTDZXOKFWGV-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[NH+]2CCN1CCC2 ZINC000364670980 488983863 /nfs/dbraw/zinc/98/38/63/488983863.db2.gz GNVBOWJEOIFGND-PMACEKPBSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000364670980 488983866 /nfs/dbraw/zinc/98/38/66/488983866.db2.gz GNVBOWJEOIFGND-PMACEKPBSA-N 2 1 372.513 0.649 20 0 FCADMP O=C(NCc1ccccc1C[NH+]1CCC[C@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000364670980 488983869 /nfs/dbraw/zinc/98/38/69/488983869.db2.gz GNVBOWJEOIFGND-PMACEKPBSA-N 2 1 372.513 0.649 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)C[C@H](C)O1 ZINC000364738488 488995209 /nfs/dbraw/zinc/99/52/09/488995209.db2.gz IQVATWJZHGNHHU-GASCZTMLSA-N 2 1 364.490 0.405 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554809464 491227164 /nfs/dbraw/zinc/22/71/64/491227164.db2.gz RJNPZWWIKFRIJC-PBHICJAKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828702 489034117 /nfs/dbraw/zinc/03/41/17/489034117.db2.gz VSUJYWCIOKEBOC-WRWLIDTKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828702 489034119 /nfs/dbraw/zinc/03/41/19/489034119.db2.gz VSUJYWCIOKEBOC-WRWLIDTKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000280828702 489034122 /nfs/dbraw/zinc/03/41/22/489034122.db2.gz VSUJYWCIOKEBOC-WRWLIDTKSA-N 2 1 358.486 0.963 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCOCC1 ZINC000365187591 489048342 /nfs/dbraw/zinc/04/83/42/489048342.db2.gz ZWMQXJDBGKLDFT-ZACQAIPSSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCOCC1 ZINC000365187591 489048343 /nfs/dbraw/zinc/04/83/43/489048343.db2.gz ZWMQXJDBGKLDFT-ZACQAIPSSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1CC[NH+](C)CC1 ZINC000365247746 489053491 /nfs/dbraw/zinc/05/34/91/489053491.db2.gz CFNDCHJZQFMFJT-KRWDZBQOSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000365322477 489063843 /nfs/dbraw/zinc/06/38/43/489063843.db2.gz AWMIRSFELNIQOA-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000365322477 489063847 /nfs/dbraw/zinc/06/38/47/489063847.db2.gz AWMIRSFELNIQOA-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000365322477 489063849 /nfs/dbraw/zinc/06/38/49/489063849.db2.gz AWMIRSFELNIQOA-ZWKOTPCHSA-N 2 1 367.538 0.424 20 0 FCADMP CN(CCC[N@@H+](C)CC(=O)NC(=O)NCc1ccco1)CC[NH+](C)C ZINC000289476767 489069953 /nfs/dbraw/zinc/06/99/53/489069953.db2.gz RKNXSKDLQUBGOI-UHFFFAOYSA-N 2 1 353.467 0.421 20 0 FCADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000290021020 489108805 /nfs/dbraw/zinc/10/88/05/489108805.db2.gz CIHVCFPXZZQVTF-DLBZAZTESA-N 2 1 360.506 0.739 20 0 FCADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000290053083 489111123 /nfs/dbraw/zinc/11/11/23/489111123.db2.gz VHJZGGHZBOWZAN-MRXNPFEDSA-N 2 1 366.437 0.344 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172645 489154519 /nfs/dbraw/zinc/15/45/19/489154519.db2.gz SIUXFHBEJZIWPY-MJGOQNOKSA-N 2 1 351.539 0.997 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000366242771 489162215 /nfs/dbraw/zinc/16/22/15/489162215.db2.gz CADJHMLISAAPJB-IAGOWNOFSA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366242771 489162220 /nfs/dbraw/zinc/16/22/20/489162220.db2.gz CADJHMLISAAPJB-IAGOWNOFSA-N 2 1 356.511 0.897 20 0 FCADMP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366253519 489163312 /nfs/dbraw/zinc/16/33/12/489163312.db2.gz FEBUGRVGULSGRV-SFHVURJKSA-N 2 1 351.495 0.276 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366253519 489163316 /nfs/dbraw/zinc/16/33/16/489163316.db2.gz FEBUGRVGULSGRV-SFHVURJKSA-N 2 1 351.495 0.276 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331390843 489205343 /nfs/dbraw/zinc/20/53/43/489205343.db2.gz JJVNCKQRQXQUNR-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000297536401 489206955 /nfs/dbraw/zinc/20/69/55/489206955.db2.gz PMWLBLQUAJOKGP-FQEVSTJZSA-N 2 1 365.518 0.760 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297551712 489208405 /nfs/dbraw/zinc/20/84/05/489208405.db2.gz PIXGWJNJKABQLZ-UHFFFAOYSA-N 2 1 358.446 0.640 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000367850046 489212337 /nfs/dbraw/zinc/21/23/37/489212337.db2.gz RFFYQQDKRONNBK-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283146965 489219854 /nfs/dbraw/zinc/21/98/54/489219854.db2.gz CBTZXKKNLAAXNT-QGZVFWFLSA-N 2 1 364.490 0.490 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000283197606 489225747 /nfs/dbraw/zinc/22/57/47/489225747.db2.gz AVHFTEGQPFTAIO-RBSFLKMASA-N 2 1 350.463 0.988 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000332843788 489238089 /nfs/dbraw/zinc/23/80/89/489238089.db2.gz NCQCPYKDCNYEAJ-SZMVWBNQSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738425 489269590 /nfs/dbraw/zinc/26/95/90/489269590.db2.gz XVWYCBDPMJJMLO-JQHSSLGASA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738425 489269592 /nfs/dbraw/zinc/26/95/92/489269592.db2.gz XVWYCBDPMJJMLO-JQHSSLGASA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738425 489269594 /nfs/dbraw/zinc/26/95/94/489269594.db2.gz XVWYCBDPMJJMLO-JQHSSLGASA-N 2 1 366.506 0.744 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369789700 489275963 /nfs/dbraw/zinc/27/59/63/489275963.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369789700 489275964 /nfs/dbraw/zinc/27/59/64/489275964.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369789700 489275965 /nfs/dbraw/zinc/27/59/65/489275965.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369789700 489275966 /nfs/dbraw/zinc/27/59/66/489275966.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369789700 489275967 /nfs/dbraw/zinc/27/59/67/489275967.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369831005 489279881 /nfs/dbraw/zinc/27/98/81/489279881.db2.gz ISCUFUOGMBPRBH-GOSISDBHSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@H](C)[N@H+]1C ZINC000298057035 489283380 /nfs/dbraw/zinc/28/33/80/489283380.db2.gz XOBAJENDHFNGIN-GASCZTMLSA-N 2 1 350.463 0.721 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@H](C)[N@@H+]1C ZINC000298057035 489283382 /nfs/dbraw/zinc/28/33/82/489283382.db2.gz XOBAJENDHFNGIN-GASCZTMLSA-N 2 1 350.463 0.721 20 0 FCADMP C[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000285844201 489325696 /nfs/dbraw/zinc/32/56/96/489325696.db2.gz WXZGIJOFGRUREJ-HNNXBMFYSA-N 2 1 367.515 0.790 20 0 FCADMP C[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000285844201 489325699 /nfs/dbraw/zinc/32/56/99/489325699.db2.gz WXZGIJOFGRUREJ-HNNXBMFYSA-N 2 1 367.515 0.790 20 0 FCADMP COC(=O)CNC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000370190801 489325843 /nfs/dbraw/zinc/32/58/43/489325843.db2.gz IVBQJHGDSWNKPG-GJZGRUSLSA-N 2 1 355.479 0.487 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452343 491248858 /nfs/dbraw/zinc/24/88/58/491248858.db2.gz WGHZEIVDZSXFTN-BRWVUGGUSA-N 2 1 363.506 0.737 20 0 FCADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000370297995 489340452 /nfs/dbraw/zinc/34/04/52/489340452.db2.gz HJMAWARMQONOLR-SJORKVTESA-N 2 1 369.554 0.668 20 0 FCADMP NC(=O)NC(=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286067459 489352918 /nfs/dbraw/zinc/35/29/18/489352918.db2.gz RRWXWUVEXWWFJY-QGZVFWFLSA-N 2 1 359.474 0.464 20 0 FCADMP NC(=O)NC(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286067459 489352920 /nfs/dbraw/zinc/35/29/20/489352920.db2.gz RRWXWUVEXWWFJY-QGZVFWFLSA-N 2 1 359.474 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+](C)C1CC1 ZINC000286337518 489381250 /nfs/dbraw/zinc/38/12/50/489381250.db2.gz BPWOMFOHHQNJML-AWEZNQCLSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[N@H+](C)C1CC1 ZINC000286337518 489381252 /nfs/dbraw/zinc/38/12/52/489381252.db2.gz BPWOMFOHHQNJML-AWEZNQCLSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[N@@H+](C)C1CC1 ZINC000286337518 489381254 /nfs/dbraw/zinc/38/12/54/489381254.db2.gz BPWOMFOHHQNJML-AWEZNQCLSA-N 2 1 364.465 0.973 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000370735793 489395059 /nfs/dbraw/zinc/39/50/59/489395059.db2.gz ZQSDLFIIGYBBPL-HYVNUMGLSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000370735793 489395060 /nfs/dbraw/zinc/39/50/60/489395060.db2.gz ZQSDLFIIGYBBPL-HYVNUMGLSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000370735793 489395063 /nfs/dbraw/zinc/39/50/63/489395063.db2.gz ZQSDLFIIGYBBPL-HYVNUMGLSA-N 2 1 363.506 0.417 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000363180390 489434400 /nfs/dbraw/zinc/43/44/00/489434400.db2.gz CPMKHRVEPKVRGI-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000363180390 489434402 /nfs/dbraw/zinc/43/44/02/489434402.db2.gz CPMKHRVEPKVRGI-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000363180390 489434404 /nfs/dbraw/zinc/43/44/04/489434404.db2.gz CPMKHRVEPKVRGI-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000363180391 489434520 /nfs/dbraw/zinc/43/45/20/489434520.db2.gz CPMKHRVEPKVRGI-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363180391 489434522 /nfs/dbraw/zinc/43/45/22/489434522.db2.gz CPMKHRVEPKVRGI-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363180391 489434524 /nfs/dbraw/zinc/43/45/24/489434524.db2.gz CPMKHRVEPKVRGI-IAGOWNOFSA-N 2 1 354.495 0.338 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371025712 489439524 /nfs/dbraw/zinc/43/95/24/489439524.db2.gz BDPOXIFZMKRSBF-ROUUACIJSA-N 2 1 365.522 0.273 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000563616989 491258767 /nfs/dbraw/zinc/25/87/67/491258767.db2.gz RMRATHBHRSFWFZ-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000287025737 489453732 /nfs/dbraw/zinc/45/37/32/489453732.db2.gz RJNTZRKARBNMLW-ZIAGYGMSSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@@H](C)C1 ZINC000287025737 489453739 /nfs/dbraw/zinc/45/37/39/489453739.db2.gz RJNTZRKARBNMLW-ZIAGYGMSSA-N 2 1 364.494 0.339 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000287167372 489467177 /nfs/dbraw/zinc/46/71/77/489467177.db2.gz ZGXSPCBULKCUAE-UHFFFAOYSA-N 2 1 366.510 0.727 20 0 FCADMP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000371240121 489469788 /nfs/dbraw/zinc/46/97/88/489469788.db2.gz BJENCJZYIUETRD-HXUWFJFHSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000371240121 489469790 /nfs/dbraw/zinc/46/97/90/489469790.db2.gz BJENCJZYIUETRD-HXUWFJFHSA-N 2 1 371.529 0.440 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000371240121 489469791 /nfs/dbraw/zinc/46/97/91/489469791.db2.gz BJENCJZYIUETRD-HXUWFJFHSA-N 2 1 371.529 0.440 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539931 489477550 /nfs/dbraw/zinc/47/75/50/489477550.db2.gz QNWFHUICNAXBRU-MSOLQXFVSA-N 2 1 351.539 0.251 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539931 489477552 /nfs/dbraw/zinc/47/75/52/489477552.db2.gz QNWFHUICNAXBRU-MSOLQXFVSA-N 2 1 351.539 0.251 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000371527942 489486972 /nfs/dbraw/zinc/48/69/72/489486972.db2.gz YQENHUCITYOZGQ-KZNAEPCWSA-N 2 1 358.486 0.611 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371654537 489494025 /nfs/dbraw/zinc/49/40/25/489494025.db2.gz SNCQYSGKYGJLMP-SFHVURJKSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000570675339 491257149 /nfs/dbraw/zinc/25/71/49/491257149.db2.gz GTCRQWIWOUDMQX-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423145949 489496593 /nfs/dbraw/zinc/49/65/93/489496593.db2.gz NEZTYZHAPQEJPK-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423145573 489496842 /nfs/dbraw/zinc/49/68/42/489496842.db2.gz LJEJGBZZWXKXCV-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000423158156 489498165 /nfs/dbraw/zinc/49/81/65/489498165.db2.gz CDFTWWHDEOLHIE-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000423158637 489498302 /nfs/dbraw/zinc/49/83/02/489498302.db2.gz OJVAFMWQFAXCAB-MRXNPFEDSA-N 2 1 359.474 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000423192730 489501438 /nfs/dbraw/zinc/50/14/38/489501438.db2.gz VXUOQIWUHDGARZ-QXSJWSMHSA-N 2 1 352.479 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000423192730 489501440 /nfs/dbraw/zinc/50/14/40/489501440.db2.gz VXUOQIWUHDGARZ-QXSJWSMHSA-N 2 1 352.479 0.036 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000423237430 489506401 /nfs/dbraw/zinc/50/64/01/489506401.db2.gz TWHKAAPHUFRDHQ-SFHVURJKSA-N 2 1 372.513 0.974 20 0 FCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1CC ZINC000423276488 489510339 /nfs/dbraw/zinc/51/03/39/489510339.db2.gz MYDYYIRKXBXEKO-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1CC ZINC000423276488 489510342 /nfs/dbraw/zinc/51/03/42/489510342.db2.gz MYDYYIRKXBXEKO-ZACQAIPSSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000451626413 489512604 /nfs/dbraw/zinc/51/26/04/489512604.db2.gz KNOCNTBXZSCEAU-MSOLQXFVSA-N 2 1 364.534 0.774 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415372501 489515748 /nfs/dbraw/zinc/51/57/48/489515748.db2.gz VHGWWJPQOAKATN-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415372501 489515750 /nfs/dbraw/zinc/51/57/50/489515750.db2.gz VHGWWJPQOAKATN-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616487 491260075 /nfs/dbraw/zinc/26/00/75/491260075.db2.gz XGVASRUBVWWOIH-KRWDZBQOSA-N 2 1 368.522 0.596 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000555616487 491260077 /nfs/dbraw/zinc/26/00/77/491260077.db2.gz XGVASRUBVWWOIH-KRWDZBQOSA-N 2 1 368.522 0.596 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000451763108 489522625 /nfs/dbraw/zinc/52/26/25/489522625.db2.gz RMPMWQABZHPLOT-KFKAGJAMSA-N 2 1 361.486 0.847 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000451763108 489522630 /nfs/dbraw/zinc/52/26/30/489522630.db2.gz RMPMWQABZHPLOT-KFKAGJAMSA-N 2 1 361.486 0.847 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415517948 489526613 /nfs/dbraw/zinc/52/66/13/489526613.db2.gz IDVBRKQZNJWNQN-WBVHZDCISA-N 2 1 374.485 0.696 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000415541735 489527811 /nfs/dbraw/zinc/52/78/11/489527811.db2.gz RZUSLLOYEVULPZ-QGZVFWFLSA-N 2 1 360.458 0.353 20 0 FCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415656981 489540234 /nfs/dbraw/zinc/54/02/34/489540234.db2.gz UNEGUSDXAYMTHQ-WMZOPIPTSA-N 2 1 374.485 0.886 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425885172 489540540 /nfs/dbraw/zinc/54/05/40/489540540.db2.gz OSOQISDXQVDQGO-PKOBYXMFSA-N 2 1 370.497 0.930 20 0 FCADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115694 489546684 /nfs/dbraw/zinc/54/66/84/489546684.db2.gz IPKHZQHPDITWDR-AEFFLSMTSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748340 491261872 /nfs/dbraw/zinc/26/18/72/491261872.db2.gz AFFWPPHMCFCZBA-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002567 489567380 /nfs/dbraw/zinc/56/73/80/489567380.db2.gz FDIUMDYLFMIYON-ZDUSSCGKSA-N 2 1 353.433 0.934 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002567 489567382 /nfs/dbraw/zinc/56/73/82/489567382.db2.gz FDIUMDYLFMIYON-ZDUSSCGKSA-N 2 1 353.433 0.934 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788562 491264288 /nfs/dbraw/zinc/26/42/88/491264288.db2.gz FXOFZMQYACZHON-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786003 491264335 /nfs/dbraw/zinc/26/43/35/491264335.db2.gz REYOBOXEXUUJON-KBPBESRZSA-N 2 1 365.444 0.947 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000563706392 491264340 /nfs/dbraw/zinc/26/43/40/491264340.db2.gz IILXPIOPPHDPDB-QGZVFWFLSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000372399864 489580604 /nfs/dbraw/zinc/58/06/04/489580604.db2.gz WVIMTUCMNFPETM-WDSOQIARSA-N 2 1 360.502 0.845 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000426800299 489583127 /nfs/dbraw/zinc/58/31/27/489583127.db2.gz NGTWWGQYQSAJAY-DLBZAZTESA-N 2 1 368.522 0.545 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000426800299 489583129 /nfs/dbraw/zinc/58/31/29/489583129.db2.gz NGTWWGQYQSAJAY-DLBZAZTESA-N 2 1 368.522 0.545 20 0 FCADMP C[C@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000426885591 489585618 /nfs/dbraw/zinc/58/56/18/489585618.db2.gz CWYGUTLPJFGJDD-NVXWUHKLSA-N 2 1 364.490 0.562 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000426894851 489585787 /nfs/dbraw/zinc/58/57/87/489585787.db2.gz DWMBDTFCFSRJIA-NVXWUHKLSA-N 2 1 351.447 0.647 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000426894851 489585788 /nfs/dbraw/zinc/58/57/88/489585788.db2.gz DWMBDTFCFSRJIA-NVXWUHKLSA-N 2 1 351.447 0.647 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000372454900 489586202 /nfs/dbraw/zinc/58/62/02/489586202.db2.gz MHDWAKGJMYSKFN-HDICACEKSA-N 2 1 366.550 0.972 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000372454900 489586205 /nfs/dbraw/zinc/58/62/05/489586205.db2.gz MHDWAKGJMYSKFN-HDICACEKSA-N 3 1 366.550 0.972 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000372454900 489586208 /nfs/dbraw/zinc/58/62/08/489586208.db2.gz MHDWAKGJMYSKFN-HDICACEKSA-N 3 1 366.550 0.972 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455664101 489598149 /nfs/dbraw/zinc/59/81/49/489598149.db2.gz ZKHXVUOPVNFUAO-INIZCTEOSA-N 2 1 365.526 0.840 20 0 FCADMP COC[C@]1(CNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910441 489633469 /nfs/dbraw/zinc/63/34/69/489633469.db2.gz AWSVOVSVDCYCMC-RVKKMQEKSA-N 2 1 356.511 0.942 20 0 FCADMP COC[C@]1(CNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000416910441 489633473 /nfs/dbraw/zinc/63/34/73/489633473.db2.gz AWSVOVSVDCYCMC-RVKKMQEKSA-N 2 1 356.511 0.942 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)CC1 ZINC000416993324 489638141 /nfs/dbraw/zinc/63/81/41/489638141.db2.gz PWYVJPBSUDIKOX-UHFFFAOYSA-N 2 1 363.506 0.287 20 0 FCADMP C[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049016 489639908 /nfs/dbraw/zinc/63/99/08/489639908.db2.gz YJURTJNKALZUKZ-FUHWJXTLSA-N 2 1 361.490 0.566 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417168004 489643858 /nfs/dbraw/zinc/64/38/58/489643858.db2.gz BZIDNSNMBSOCNK-CYBMUJFWSA-N 2 1 362.400 0.717 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+](C)C1 ZINC000417162285 489643866 /nfs/dbraw/zinc/64/38/66/489643866.db2.gz KUCIRTKZWZUVGA-CYBMUJFWSA-N 2 1 352.439 0.013 20 0 FCADMP CC1(C)CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000417385183 489651136 /nfs/dbraw/zinc/65/11/36/489651136.db2.gz LTCRSZRKDSTUCJ-UHFFFAOYSA-N 2 1 360.506 0.987 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCN(C)CC1 ZINC000457620288 489651315 /nfs/dbraw/zinc/65/13/15/489651315.db2.gz PMWNKYHUHXLOMF-ROUUACIJSA-N 2 1 369.554 0.404 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418872 489651795 /nfs/dbraw/zinc/65/17/95/489651795.db2.gz BZVVFVIMKPMCAR-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449959 489654591 /nfs/dbraw/zinc/65/45/91/489654591.db2.gz YYQYXNXCVJLDPL-JKSUJKDBSA-N 2 1 353.511 0.570 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428613199 489656786 /nfs/dbraw/zinc/65/67/86/489656786.db2.gz TXLCKLZPVROAAB-WMLDXEAASA-N 2 1 360.458 0.365 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000428624545 489658352 /nfs/dbraw/zinc/65/83/52/489658352.db2.gz IVFQYYBBNFOJEH-QZTJIDSGSA-N 2 1 358.486 0.960 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417557382 489658547 /nfs/dbraw/zinc/65/85/47/489658547.db2.gz BLAQJRZACGUPEQ-HOCLYGCPSA-N 2 1 364.494 0.857 20 0 FCADMP COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000428776451 489663613 /nfs/dbraw/zinc/66/36/13/489663613.db2.gz BPZCDJNEKGIIHL-HXUWFJFHSA-N 2 1 359.470 0.967 20 0 FCADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000428776451 489663616 /nfs/dbraw/zinc/66/36/16/489663616.db2.gz BPZCDJNEKGIIHL-HXUWFJFHSA-N 2 1 359.470 0.967 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417751229 489664189 /nfs/dbraw/zinc/66/41/89/489664189.db2.gz YUXBSNRWMRHWGV-MRXNPFEDSA-N 2 1 364.494 0.127 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1=O ZINC000428956950 489668585 /nfs/dbraw/zinc/66/85/85/489668585.db2.gz ZICALADQDJVLME-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417896892 489670241 /nfs/dbraw/zinc/67/02/41/489670241.db2.gz WFZULCDLYAZMSJ-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002140 489674750 /nfs/dbraw/zinc/67/47/50/489674750.db2.gz LRGPJIPSPDYWSB-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458407333 489680952 /nfs/dbraw/zinc/68/09/52/489680952.db2.gz CXONAICMKDYUQO-HOTGVXAUSA-N 2 1 353.511 0.700 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462155 489684302 /nfs/dbraw/zinc/68/43/02/489684302.db2.gz PUDOTNVYGKRZEH-MSOLQXFVSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462155 489684305 /nfs/dbraw/zinc/68/43/05/489684305.db2.gz PUDOTNVYGKRZEH-MSOLQXFVSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462155 489684308 /nfs/dbraw/zinc/68/43/08/489684308.db2.gz PUDOTNVYGKRZEH-MSOLQXFVSA-N 2 1 369.554 0.406 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CCCO1 ZINC000458709369 489697546 /nfs/dbraw/zinc/69/75/46/489697546.db2.gz CSLVSFRGSVGOHX-DLBZAZTESA-N 2 1 356.511 0.633 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155214 489697763 /nfs/dbraw/zinc/69/77/63/489697763.db2.gz ZJSUZQPHOPUOEF-CRAIPNDOSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155214 489697767 /nfs/dbraw/zinc/69/77/67/489697767.db2.gz ZJSUZQPHOPUOEF-CRAIPNDOSA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155214 489697770 /nfs/dbraw/zinc/69/77/70/489697770.db2.gz ZJSUZQPHOPUOEF-CRAIPNDOSA-N 2 1 351.495 0.311 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836198 491272306 /nfs/dbraw/zinc/27/23/06/491272306.db2.gz NDUVYELWSUEIQR-HLLBOEOZSA-N 2 1 350.507 0.966 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418543867 489705930 /nfs/dbraw/zinc/70/59/30/489705930.db2.gz TXLYWZJMZYMQAT-LSDHHAIUSA-N 2 1 356.417 0.763 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418543867 489705936 /nfs/dbraw/zinc/70/59/36/489705936.db2.gz TXLYWZJMZYMQAT-LSDHHAIUSA-N 2 1 356.417 0.763 20 0 FCADMP COCC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[NH2+]CC1 ZINC000418637660 489714543 /nfs/dbraw/zinc/71/45/43/489714543.db2.gz KAUMSNHOKJSCQZ-HNNXBMFYSA-N 2 1 356.511 0.489 20 0 FCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000489542009 489716823 /nfs/dbraw/zinc/71/68/23/489716823.db2.gz AAOIXSUPZYBTFM-MSOLQXFVSA-N 2 1 369.554 0.549 20 0 FCADMP COC[C@]1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC[NH2+]1 ZINC000563875121 491273947 /nfs/dbraw/zinc/27/39/47/491273947.db2.gz OYHFMKNPJXTIOA-XYJFISCASA-N 2 1 354.495 0.698 20 0 FCADMP COC[C@]1(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC[NH2+]1 ZINC000563875119 491273991 /nfs/dbraw/zinc/27/39/91/491273991.db2.gz OYHFMKNPJXTIOA-LZLYRXPVSA-N 2 1 354.495 0.698 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418776072 489725557 /nfs/dbraw/zinc/72/55/57/489725557.db2.gz XAVQDODLNJOQPM-CYBMUJFWSA-N 2 1 368.400 0.271 20 0 FCADMP CN1CC[NH+](CC2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)CC1 ZINC000489748573 489726534 /nfs/dbraw/zinc/72/65/34/489726534.db2.gz ZZCRSTUWIOSBLE-KRWDZBQOSA-N 2 1 354.564 0.910 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418794669 489728534 /nfs/dbraw/zinc/72/85/34/489728534.db2.gz RKXUVMUFCNHHGI-PKOBYXMFSA-N 2 1 362.474 0.301 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000489802076 489728813 /nfs/dbraw/zinc/72/88/13/489728813.db2.gz QLLVAHIHTRLXIZ-INIZCTEOSA-N 2 1 367.538 0.249 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000489802076 489728815 /nfs/dbraw/zinc/72/88/15/489728815.db2.gz QLLVAHIHTRLXIZ-INIZCTEOSA-N 2 1 367.538 0.249 20 0 FCADMP CC(C)[NH2+]CCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563890258 491275529 /nfs/dbraw/zinc/27/55/29/491275529.db2.gz WPQOXLRWBUMVDV-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418828386 489742537 /nfs/dbraw/zinc/74/25/37/489742537.db2.gz HVPLIAZBZHKSBO-HZPDHXFCSA-N 2 1 366.506 0.524 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562833 489745976 /nfs/dbraw/zinc/74/59/76/489745976.db2.gz GPCPEXLMBUUMLI-HOTGVXAUSA-N 2 1 367.538 0.105 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000430562833 489745978 /nfs/dbraw/zinc/74/59/78/489745978.db2.gz GPCPEXLMBUUMLI-HOTGVXAUSA-N 2 1 367.538 0.105 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430601680 489750290 /nfs/dbraw/zinc/75/02/90/489750290.db2.gz FAVGAWHHNLOFGO-CYBMUJFWSA-N 2 1 362.430 0.531 20 0 FCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430609122 489751570 /nfs/dbraw/zinc/75/15/70/489751570.db2.gz GQSGPQZGHQOJMX-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430609122 489751575 /nfs/dbraw/zinc/75/15/75/489751575.db2.gz GQSGPQZGHQOJMX-ZDUSSCGKSA-N 2 1 364.446 0.429 20 0 FCADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430611396 489753447 /nfs/dbraw/zinc/75/34/47/489753447.db2.gz OFEAMPXUJJIJRP-QGZVFWFLSA-N 2 1 362.474 0.236 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430614732 489753482 /nfs/dbraw/zinc/75/34/82/489753482.db2.gz AGFIDCJMLJJMRC-AWEZNQCLSA-N 2 1 361.446 0.512 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418848963 489755036 /nfs/dbraw/zinc/75/50/36/489755036.db2.gz MASKDMBCOUCXPS-IMJJTQAJSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430620188 489756309 /nfs/dbraw/zinc/75/63/09/489756309.db2.gz BVUUFCXCJVXFRV-ZACQAIPSSA-N 2 1 350.507 0.635 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000418850785 489756454 /nfs/dbraw/zinc/75/64/54/489756454.db2.gz OOCJHWQIPAUBKE-FMKPAKJESA-N 2 1 362.474 0.610 20 0 FCADMP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630626 489758241 /nfs/dbraw/zinc/75/82/41/489758241.db2.gz ZCWDMJMICXXIIU-OAHLLOKOSA-N 2 1 364.515 0.817 20 0 FCADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633758 489758964 /nfs/dbraw/zinc/75/89/64/489758964.db2.gz QDFBQRFBOIFQAP-GOEBONIOSA-N 2 1 364.465 0.660 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642602 489759863 /nfs/dbraw/zinc/75/98/63/489759863.db2.gz PDODYLLEFNNRMM-ZIAGYGMSSA-N 2 1 350.467 0.151 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642602 489759866 /nfs/dbraw/zinc/75/98/66/489759866.db2.gz PDODYLLEFNNRMM-ZIAGYGMSSA-N 2 1 350.467 0.151 20 0 FCADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641193 489759944 /nfs/dbraw/zinc/75/99/44/489759944.db2.gz IHBGYGPVOVKCBM-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)n1C ZINC000418857429 489760398 /nfs/dbraw/zinc/76/03/98/489760398.db2.gz RXHIVRRVUXFVQT-AWEZNQCLSA-N 2 1 350.467 0.126 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636977 489760621 /nfs/dbraw/zinc/76/06/21/489760621.db2.gz BNRSEIXSAQEVNT-GOEBONIOSA-N 2 1 360.458 0.587 20 0 FCADMP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430636977 489760624 /nfs/dbraw/zinc/76/06/24/489760624.db2.gz BNRSEIXSAQEVNT-GOEBONIOSA-N 2 1 360.458 0.587 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646613 489762020 /nfs/dbraw/zinc/76/20/20/489762020.db2.gz WRRVHUSWAGJSAE-HZPDHXFCSA-N 2 1 374.489 0.059 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376640135 489765437 /nfs/dbraw/zinc/76/54/37/489765437.db2.gz MQYWLVVHJMVZBZ-ZBFHGGJFSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418866576 489765705 /nfs/dbraw/zinc/76/57/05/489765705.db2.gz OBBJMPAOLSADHS-CABCVRRESA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1C[C@H](C)O ZINC000430744422 489769090 /nfs/dbraw/zinc/76/90/90/489769090.db2.gz UQCHTTRQXIZJBW-KBPBESRZSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1C[C@H](C)O ZINC000430744422 489769094 /nfs/dbraw/zinc/76/90/94/489769094.db2.gz UQCHTTRQXIZJBW-KBPBESRZSA-N 2 1 350.467 0.120 20 0 FCADMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418876038 489769719 /nfs/dbraw/zinc/76/97/19/489769719.db2.gz FRQJNRWWDZVTHZ-QZTJIDSGSA-N 2 1 374.485 0.944 20 0 FCADMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418876038 489769721 /nfs/dbraw/zinc/76/97/21/489769721.db2.gz FRQJNRWWDZVTHZ-QZTJIDSGSA-N 2 1 374.485 0.944 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418879244 489772189 /nfs/dbraw/zinc/77/21/89/489772189.db2.gz NBPPYUVYEWNUJN-ZWKOTPCHSA-N 2 1 374.485 0.209 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cn2)CC1 ZINC000430861097 489774622 /nfs/dbraw/zinc/77/46/22/489774622.db2.gz AIRHZLLVFAXHLR-PVAVHDDUSA-N 2 1 374.489 0.516 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H](C)[NH2+]1 ZINC000418884975 489774874 /nfs/dbraw/zinc/77/48/74/489774874.db2.gz XSWSTYOEVVQIRE-RKVPGOIHSA-N 2 1 374.485 0.078 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C[NH3+] ZINC000418885239 489774886 /nfs/dbraw/zinc/77/48/86/489774886.db2.gz YGJMYFGWTVGNRG-OAGGEKHMSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418885936 489775458 /nfs/dbraw/zinc/77/54/58/489775458.db2.gz ZPUMLZDQMUTILO-BZUAXINKSA-N 2 1 354.495 0.237 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459896398 489784689 /nfs/dbraw/zinc/78/46/89/489784689.db2.gz FGLVVDBCTHPLJT-QGZVFWFLSA-N 2 1 368.522 0.213 20 0 FCADMP CCCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083322 489787472 /nfs/dbraw/zinc/78/74/72/489787472.db2.gz LMKIQPGESRORFX-GOSISDBHSA-N 2 1 354.539 0.923 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000474810055 489787450 /nfs/dbraw/zinc/78/74/50/489787450.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CCC1 ZINC000474810055 489787455 /nfs/dbraw/zinc/78/74/55/489787455.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C1(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CCC1 ZINC000474810055 489787460 /nfs/dbraw/zinc/78/74/60/489787460.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 2 1 360.502 0.863 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000459916625 489791423 /nfs/dbraw/zinc/79/14/23/489791423.db2.gz CSAILLOMFPZBCH-UHFFFAOYSA-N 2 1 372.513 0.928 20 0 FCADMP CCN1CCCN(C(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000459916625 489791427 /nfs/dbraw/zinc/79/14/27/489791427.db2.gz CSAILLOMFPZBCH-UHFFFAOYSA-N 2 1 372.513 0.928 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000418926986 489793200 /nfs/dbraw/zinc/79/32/00/489793200.db2.gz SFIGYCYFQTYXBK-QGZVFWFLSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000459918898 489793364 /nfs/dbraw/zinc/79/33/64/489793364.db2.gz JNQHPIJQUZOHPJ-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418928698 489793863 /nfs/dbraw/zinc/79/38/63/489793863.db2.gz VHSUTQYEWNUWBT-SFHVURJKSA-N 2 1 374.485 0.379 20 0 FCADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376795873 489797493 /nfs/dbraw/zinc/79/74/93/489797493.db2.gz AGUAPPHDNXHXHH-DOTOQJQBSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[N@@H+](C)C1CC1 ZINC000431283348 489798814 /nfs/dbraw/zinc/79/88/14/489798814.db2.gz PKYZJFDEAVBLLC-HNNXBMFYSA-N 2 1 353.511 0.761 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000459957375 489804320 /nfs/dbraw/zinc/80/43/20/489804320.db2.gz YMRNJJUDSCDIHP-UHFFFAOYSA-N 2 1 366.506 0.110 20 0 FCADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475149829 489807973 /nfs/dbraw/zinc/80/79/73/489807973.db2.gz QQGXWHJNWLMZDU-GPMSIDNRSA-N 2 1 372.506 0.891 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000563966177 491280204 /nfs/dbraw/zinc/28/02/04/491280204.db2.gz CTYLEIWRLUKXQX-LJQANCHMSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000563966177 491280206 /nfs/dbraw/zinc/28/02/06/491280206.db2.gz CTYLEIWRLUKXQX-LJQANCHMSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418985974 489809992 /nfs/dbraw/zinc/80/99/92/489809992.db2.gz NTHNFJLRLDFOHT-BPQIPLTHSA-N 2 1 358.486 0.788 20 0 FCADMP COC(=O)COCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376905959 489814603 /nfs/dbraw/zinc/81/46/03/489814603.db2.gz WIPAUTZRKNXXON-UHFFFAOYSA-N 2 1 369.506 0.831 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000419015877 489819001 /nfs/dbraw/zinc/81/90/01/489819001.db2.gz FJJIJAMQNXWAPM-ZWKOTPCHSA-N 2 1 358.486 0.822 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1F ZINC000419029789 489824154 /nfs/dbraw/zinc/82/41/54/489824154.db2.gz SCWSHCHAFMZPJH-HNNXBMFYSA-N 2 1 359.405 0.790 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419029326 489824386 /nfs/dbraw/zinc/82/43/86/489824386.db2.gz RRKNDBOYAZXFSC-TWMKSMIVSA-N 2 1 352.523 0.927 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419029328 489824416 /nfs/dbraw/zinc/82/44/16/489824416.db2.gz RRKNDBOYAZXFSC-YVSFHVDLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419027942 489824613 /nfs/dbraw/zinc/82/46/13/489824613.db2.gz PGKBZZAVOKJRFH-XUWVNRHRSA-N 2 1 352.523 0.973 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000419032278 489826586 /nfs/dbraw/zinc/82/65/86/489826586.db2.gz AVWUEUSBCUQOEL-VQHPVUNQSA-N 2 1 368.522 0.626 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000460044817 489830196 /nfs/dbraw/zinc/83/01/96/489830196.db2.gz VDYJDTGRVUTTBW-IYBDPMFKSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000460044817 489830200 /nfs/dbraw/zinc/83/02/00/489830200.db2.gz VDYJDTGRVUTTBW-IYBDPMFKSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419045339 489833169 /nfs/dbraw/zinc/83/31/69/489833169.db2.gz NQIJAPDORXYMFU-KBAYOESNSA-N 2 1 374.485 0.514 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000419058361 489838569 /nfs/dbraw/zinc/83/85/69/489838569.db2.gz BQHBCNXSRVJBDI-OKILXGFUSA-N 2 1 352.479 0.026 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000419058361 489838574 /nfs/dbraw/zinc/83/85/74/489838574.db2.gz BQHBCNXSRVJBDI-OKILXGFUSA-N 2 1 352.479 0.026 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419063615 489840630 /nfs/dbraw/zinc/84/06/30/489840630.db2.gz HTLCETKFCHJAQR-BZUAXINKSA-N 2 1 370.538 0.822 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078990 489847993 /nfs/dbraw/zinc/84/79/93/489847993.db2.gz TYJHDDNQFNDEPH-CRAIPNDOSA-N 2 1 374.485 0.344 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078990 489847996 /nfs/dbraw/zinc/84/79/96/489847996.db2.gz TYJHDDNQFNDEPH-CRAIPNDOSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419081649 489849555 /nfs/dbraw/zinc/84/95/55/489849555.db2.gz IISCLRGUIMDINH-XGUBFFRZSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419081649 489849558 /nfs/dbraw/zinc/84/95/58/489849558.db2.gz IISCLRGUIMDINH-XGUBFFRZSA-N 2 1 354.495 0.186 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000377096279 489850914 /nfs/dbraw/zinc/85/09/14/489850914.db2.gz YZYXFMRDGVKBQW-MRXNPFEDSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000419086400 489851317 /nfs/dbraw/zinc/85/13/17/489851317.db2.gz OAURRMFXFOZYSK-LBTNJELSSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000419089532 489852302 /nfs/dbraw/zinc/85/23/02/489852302.db2.gz UBISTMAFOAITEP-OKILXGFUSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000419089532 489852305 /nfs/dbraw/zinc/85/23/05/489852305.db2.gz UBISTMAFOAITEP-OKILXGFUSA-N 2 1 354.495 0.188 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000460244417 489856952 /nfs/dbraw/zinc/85/69/52/489856952.db2.gz RZGDFIFNSSMAIM-CRAIPNDOSA-N 2 1 350.463 0.664 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000460244417 489856959 /nfs/dbraw/zinc/85/69/59/489856959.db2.gz RZGDFIFNSSMAIM-CRAIPNDOSA-N 2 1 350.463 0.664 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261785 489859399 /nfs/dbraw/zinc/85/93/99/489859399.db2.gz RQJXEAHFOBLYRW-QUCCMNQESA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261785 489859403 /nfs/dbraw/zinc/85/94/03/489859403.db2.gz RQJXEAHFOBLYRW-QUCCMNQESA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261785 489859406 /nfs/dbraw/zinc/85/94/06/489859406.db2.gz RQJXEAHFOBLYRW-QUCCMNQESA-N 2 1 360.502 0.917 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419113449 489860498 /nfs/dbraw/zinc/86/04/98/489860498.db2.gz GWKXOJUYTPBISK-HZPDHXFCSA-N 2 1 354.495 0.093 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000460276285 489861717 /nfs/dbraw/zinc/86/17/17/489861717.db2.gz XMPCYPIHALXRQB-SFHVURJKSA-N 2 1 350.463 0.493 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000419116262 489862374 /nfs/dbraw/zinc/86/23/74/489862374.db2.gz LDDQEHDKFXBEKD-XIRDDKMYSA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419118403 489863248 /nfs/dbraw/zinc/86/32/48/489863248.db2.gz NQSVKGMEBBXKMQ-WBVHZDCISA-N 2 1 368.522 0.308 20 0 FCADMP [NH3+]C1CCN(CCCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000433163749 489869638 /nfs/dbraw/zinc/86/96/38/489869638.db2.gz PGCOIPACRVOZRF-UHFFFAOYSA-N 2 1 352.523 0.761 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433372614 489880171 /nfs/dbraw/zinc/88/01/71/489880171.db2.gz AVIKIOVIROFZGV-MRXNPFEDSA-N 2 1 363.510 0.206 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413176 489882024 /nfs/dbraw/zinc/88/20/24/489882024.db2.gz WASYFEKPLFRIRM-ROUUACIJSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413176 489882029 /nfs/dbraw/zinc/88/20/29/489882029.db2.gz WASYFEKPLFRIRM-ROUUACIJSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413176 489882033 /nfs/dbraw/zinc/88/20/33/489882033.db2.gz WASYFEKPLFRIRM-ROUUACIJSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000433413174 489882480 /nfs/dbraw/zinc/88/24/80/489882480.db2.gz WASYFEKPLFRIRM-QZTJIDSGSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413174 489882486 /nfs/dbraw/zinc/88/24/86/489882486.db2.gz WASYFEKPLFRIRM-QZTJIDSGSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000433413174 489882488 /nfs/dbraw/zinc/88/24/88/489882488.db2.gz WASYFEKPLFRIRM-QZTJIDSGSA-N 2 1 369.554 0.670 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000433463493 489886527 /nfs/dbraw/zinc/88/65/27/489886527.db2.gz REVWWLBXZDHXMG-INIZCTEOSA-N 2 1 356.511 0.585 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420037661 489888689 /nfs/dbraw/zinc/88/86/89/489888689.db2.gz UWIWTODHBUJLQU-FUHWJXTLSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CCO1 ZINC000420058178 489897052 /nfs/dbraw/zinc/89/70/52/489897052.db2.gz OATVLXQFAYELSX-WMLDXEAASA-N 2 1 366.506 0.332 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000420064803 489899980 /nfs/dbraw/zinc/89/99/80/489899980.db2.gz WOIGORCWRNKQPA-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000420064602 489900063 /nfs/dbraw/zinc/90/00/63/489900063.db2.gz OUOIKUHSKIYRIL-ZACQAIPSSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000420064602 489900067 /nfs/dbraw/zinc/90/00/67/489900067.db2.gz OUOIKUHSKIYRIL-ZACQAIPSSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000420064600 489900445 /nfs/dbraw/zinc/90/04/45/489900445.db2.gz OUOIKUHSKIYRIL-GVDBMIGSSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000420064600 489900450 /nfs/dbraw/zinc/90/04/50/489900450.db2.gz OUOIKUHSKIYRIL-GVDBMIGSSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420066648 489901008 /nfs/dbraw/zinc/90/10/08/489901008.db2.gz RPHQKGBOESPDND-MAUKXSAKSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420073062 489902963 /nfs/dbraw/zinc/90/29/63/489902963.db2.gz XYEMBVVXKDKGQE-BFYDXBDKSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420080356 489905467 /nfs/dbraw/zinc/90/54/67/489905467.db2.gz GPOPAYVMDWVBQD-IJEWVQPXSA-N 2 1 354.495 0.236 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086799 489907672 /nfs/dbraw/zinc/90/76/72/489907672.db2.gz DNCIGQXZMISFIO-KRWDZBQOSA-N 2 1 373.501 0.892 20 0 FCADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420109211 489915855 /nfs/dbraw/zinc/91/58/55/489915855.db2.gz ANDKGSWXDFCCKR-SOUVJXGZSA-N 2 1 354.495 0.058 20 0 FCADMP CC1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000420116072 489918251 /nfs/dbraw/zinc/91/82/51/489918251.db2.gz HCXBLFHDRZJYHZ-UHFFFAOYSA-N 2 1 372.513 0.879 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420124958 489920898 /nfs/dbraw/zinc/92/08/98/489920898.db2.gz PIBALSNRUVFNAI-TWMKSMIVSA-N 2 1 368.522 0.720 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420124958 489920901 /nfs/dbraw/zinc/92/09/01/489920901.db2.gz PIBALSNRUVFNAI-TWMKSMIVSA-N 2 1 368.522 0.720 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377588082 489927558 /nfs/dbraw/zinc/92/75/58/489927558.db2.gz NQJIODXSZUCZDG-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377588082 489927561 /nfs/dbraw/zinc/92/75/61/489927561.db2.gz NQJIODXSZUCZDG-VQTJNVASSA-N 2 1 372.513 0.784 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000564109570 491288997 /nfs/dbraw/zinc/28/89/97/491288997.db2.gz QZGPGHGSTRZJFF-UHFFFAOYSA-N 2 1 367.494 0.145 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000477030818 489933831 /nfs/dbraw/zinc/93/38/31/489933831.db2.gz GAFVYBQPUHGGBV-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000477030818 489933834 /nfs/dbraw/zinc/93/38/34/489933834.db2.gz GAFVYBQPUHGGBV-CABCVRRESA-N 2 1 356.511 0.137 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC[C@@H]21 ZINC000420157838 489934861 /nfs/dbraw/zinc/93/48/61/489934861.db2.gz GUWDRVJBZYMXTN-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000420157674 489934942 /nfs/dbraw/zinc/93/49/42/489934942.db2.gz XEBGNWQLTUJPSR-UHFFFAOYSA-N 2 1 368.428 0.820 20 0 FCADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156196 489935087 /nfs/dbraw/zinc/93/50/87/489935087.db2.gz VPSFWFQMHGSRCC-UHFFFAOYSA-N 2 1 369.416 0.467 20 0 FCADMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420180008 489942293 /nfs/dbraw/zinc/94/22/93/489942293.db2.gz WJXDGKAFCVTXDT-OAHLLOKOSA-N 2 1 368.428 0.820 20 0 FCADMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420180008 489942296 /nfs/dbraw/zinc/94/22/96/489942296.db2.gz WJXDGKAFCVTXDT-OAHLLOKOSA-N 2 1 368.428 0.820 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169709 491290129 /nfs/dbraw/zinc/29/01/29/491290129.db2.gz YAVXQTCOODHJPB-YESZJQIVSA-N 2 1 363.506 0.608 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420194133 489947230 /nfs/dbraw/zinc/94/72/30/489947230.db2.gz DOFBJOLTVLRFFL-IJGSYPAGSA-N 2 1 362.518 0.809 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000420219711 489955708 /nfs/dbraw/zinc/95/57/08/489955708.db2.gz YWNMLDNCYZHZFI-UUAJXVIYSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284199 489960695 /nfs/dbraw/zinc/96/06/95/489960695.db2.gz CMIWDDLHAYIXRP-RYUDHWBXSA-N 2 1 350.385 0.197 20 0 FCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420284199 489960697 /nfs/dbraw/zinc/96/06/97/489960697.db2.gz CMIWDDLHAYIXRP-RYUDHWBXSA-N 2 1 350.385 0.197 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477430542 489964645 /nfs/dbraw/zinc/96/46/45/489964645.db2.gz OKOIBJRAODCNAY-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000477431131 489964828 /nfs/dbraw/zinc/96/48/28/489964828.db2.gz REYMEIVUTKCBHE-UHFFFAOYSA-N 2 1 368.522 0.995 20 0 FCADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351029 489966644 /nfs/dbraw/zinc/96/66/44/489966644.db2.gz VQFFKPPOSPLDBY-GOSISDBHSA-N 2 1 360.502 0.893 20 0 FCADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000420381042 489969313 /nfs/dbraw/zinc/96/93/13/489969313.db2.gz RQIMHXKIAMSMLA-LJQANCHMSA-N 2 1 358.490 0.591 20 0 FCADMP Cn1cnc2c1c(=O)n(CCC[NH2+][C@H](C[NH3+])C1CCCCC1)c(=O)n2C ZINC000420380149 489969620 /nfs/dbraw/zinc/96/96/20/489969620.db2.gz YCRQJYXSNJYOOD-CQSZACIVSA-N 2 1 362.478 0.321 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420386551 489970556 /nfs/dbraw/zinc/97/05/56/489970556.db2.gz UZNIAVLXJVFCRA-OWCLPIDISA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420386551 489970557 /nfs/dbraw/zinc/97/05/57/489970557.db2.gz UZNIAVLXJVFCRA-OWCLPIDISA-N 2 1 362.474 0.869 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(=O)OC ZINC000420395687 489971436 /nfs/dbraw/zinc/97/14/36/489971436.db2.gz UISAFWKPKFVQGI-ZDRJDWQYSA-N 2 1 369.506 0.909 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477652912 489981958 /nfs/dbraw/zinc/98/19/58/489981958.db2.gz OCNZPOISDNADIW-HNNXBMFYSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000377931442 489982113 /nfs/dbraw/zinc/98/21/13/489982113.db2.gz JGKBXAFQVZFIFM-RCCFBDPRSA-N 2 1 368.522 0.992 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)CC[C@H]1C)CCC(F)(F)F ZINC000564190802 491292852 /nfs/dbraw/zinc/29/28/52/491292852.db2.gz UTSZPUXDTSHVIQ-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)CC[C@H]1C)CCC(F)(F)F ZINC000564190802 491292853 /nfs/dbraw/zinc/29/28/53/491292853.db2.gz UTSZPUXDTSHVIQ-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)CCC(F)(F)F ZINC000564190802 491292855 /nfs/dbraw/zinc/29/28/55/491292855.db2.gz UTSZPUXDTSHVIQ-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)CCC(F)(F)F ZINC000564190802 491292857 /nfs/dbraw/zinc/29/28/57/491292857.db2.gz UTSZPUXDTSHVIQ-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000556083852 491293516 /nfs/dbraw/zinc/29/35/16/491293516.db2.gz GGDOITYVCNQBCB-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478022357 490001640 /nfs/dbraw/zinc/00/16/40/490001640.db2.gz XVZZVSBFUUMKAF-GDBMZVCRSA-N 2 1 366.893 0.691 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000435474520 490002786 /nfs/dbraw/zinc/00/27/86/490002786.db2.gz WVZPTKAGHSKSNM-HZPDHXFCSA-N 2 1 361.446 0.584 20 0 FCADMP O=C(CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539475 490023855 /nfs/dbraw/zinc/02/38/55/490023855.db2.gz FKODEDWFXPYIHF-DOTOQJQBSA-N 2 1 359.474 0.990 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853677 490025790 /nfs/dbraw/zinc/02/57/90/490025790.db2.gz DSVGNLAOYBNSIC-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420853677 490025792 /nfs/dbraw/zinc/02/57/92/490025792.db2.gz DSVGNLAOYBNSIC-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420853677 490025796 /nfs/dbraw/zinc/02/57/96/490025796.db2.gz DSVGNLAOYBNSIC-QZTJIDSGSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869309 490046849 /nfs/dbraw/zinc/04/68/49/490046849.db2.gz PVLVZEWNVLVPJK-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869309 490046850 /nfs/dbraw/zinc/04/68/50/490046850.db2.gz PVLVZEWNVLVPJK-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+]1CCC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000478869309 490046852 /nfs/dbraw/zinc/04/68/52/490046852.db2.gz PVLVZEWNVLVPJK-HOTGVXAUSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000478906205 490052991 /nfs/dbraw/zinc/05/29/91/490052991.db2.gz PPDCUSPYDNKRPY-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000478906205 490052996 /nfs/dbraw/zinc/05/29/96/490052996.db2.gz PPDCUSPYDNKRPY-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000478906205 490053001 /nfs/dbraw/zinc/05/30/01/490053001.db2.gz PPDCUSPYDNKRPY-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000378425137 490062661 /nfs/dbraw/zinc/06/26/61/490062661.db2.gz SQCKNOOMXRZGGS-QZTJIDSGSA-N 2 1 374.485 0.744 20 0 FCADMP O=C(NCCc1nccn1Cc1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000479072638 490065023 /nfs/dbraw/zinc/06/50/23/490065023.db2.gz VIWDGMQSQIBYNG-GOSISDBHSA-N 2 1 353.470 0.980 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061397 490065522 /nfs/dbraw/zinc/06/55/22/490065522.db2.gz ROELBQQQTDYZMM-CHWSQXEVSA-N 2 1 354.476 0.722 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000571267786 491296791 /nfs/dbraw/zinc/29/67/91/491296791.db2.gz GEBUVWQWEZDPDL-KURKYZTESA-N 2 1 368.522 0.881 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000519760085 490078881 /nfs/dbraw/zinc/07/88/81/490078881.db2.gz AAUCODYERNAFML-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000479280577 490081401 /nfs/dbraw/zinc/08/14/01/490081401.db2.gz IDURFFCKBXGVSD-OAHLLOKOSA-N 2 1 373.523 0.061 20 0 FCADMP COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000479280577 490081405 /nfs/dbraw/zinc/08/14/05/490081405.db2.gz IDURFFCKBXGVSD-OAHLLOKOSA-N 2 1 373.523 0.061 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000519814292 490089231 /nfs/dbraw/zinc/08/92/31/490089231.db2.gz PIGPPOJKTFIMCP-INIZCTEOSA-N 2 1 366.506 0.335 20 0 FCADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000465175557 490091420 /nfs/dbraw/zinc/09/14/20/490091420.db2.gz BJAPDTFLRUMRKV-ZWKOTPCHSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000465175557 490091423 /nfs/dbraw/zinc/09/14/23/490091423.db2.gz BJAPDTFLRUMRKV-ZWKOTPCHSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000465175557 490091427 /nfs/dbraw/zinc/09/14/27/490091427.db2.gz BJAPDTFLRUMRKV-ZWKOTPCHSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000421724449 490099643 /nfs/dbraw/zinc/09/96/43/490099643.db2.gz BSKBLUXVTYCIDJ-RHSMWYFYSA-N 2 1 356.536 0.481 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCSC1 ZINC000421727585 490102412 /nfs/dbraw/zinc/10/24/12/490102412.db2.gz YNWHEEINXSHATF-KRWDZBQOSA-N 2 1 356.536 0.531 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC000520204982 490116775 /nfs/dbraw/zinc/11/67/75/490116775.db2.gz VXAGCHCZXSMPSX-VVLHAWIVSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC000520204982 490116777 /nfs/dbraw/zinc/11/67/77/490116777.db2.gz VXAGCHCZXSMPSX-VVLHAWIVSA-N 2 1 353.511 0.173 20 0 FCADMP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000520225979 490118658 /nfs/dbraw/zinc/11/86/58/490118658.db2.gz WDYOIGLAXJACCA-LJQANCHMSA-N 2 1 358.442 0.693 20 0 FCADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000564341836 491301590 /nfs/dbraw/zinc/30/15/90/491301590.db2.gz BRKAZNBODSGBIN-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000520384390 490140904 /nfs/dbraw/zinc/14/09/04/490140904.db2.gz PTLDKWYWEVJIRE-OAHLLOKOSA-N 2 1 355.527 0.421 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000479995166 490145865 /nfs/dbraw/zinc/14/58/65/490145865.db2.gz VKGWVKPJROGALS-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000465852908 490147771 /nfs/dbraw/zinc/14/77/71/490147771.db2.gz XTRXHPDICZKTMQ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000465852908 490147781 /nfs/dbraw/zinc/14/77/81/490147781.db2.gz XTRXHPDICZKTMQ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000465852908 490147786 /nfs/dbraw/zinc/14/77/86/490147786.db2.gz XTRXHPDICZKTMQ-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000422102417 490153750 /nfs/dbraw/zinc/15/37/50/490153750.db2.gz MXMZKMJJZVNYDM-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465958221 490157852 /nfs/dbraw/zinc/15/78/52/490157852.db2.gz SINHICIFWODWLI-JKSUJKDBSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958221 490157856 /nfs/dbraw/zinc/15/78/56/490157856.db2.gz SINHICIFWODWLI-JKSUJKDBSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958221 490157861 /nfs/dbraw/zinc/15/78/61/490157861.db2.gz SINHICIFWODWLI-JKSUJKDBSA-N 2 1 353.511 0.557 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000556209279 491303531 /nfs/dbraw/zinc/30/35/31/491303531.db2.gz YXPFCBUFAGYYQN-GRDNDAEWSA-N 2 1 356.536 0.481 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000556209279 491303533 /nfs/dbraw/zinc/30/35/33/491303533.db2.gz YXPFCBUFAGYYQN-GRDNDAEWSA-N 2 1 356.536 0.481 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000466097135 490165248 /nfs/dbraw/zinc/16/52/48/490165248.db2.gz CWCMAIGZGZRIGG-MRXNPFEDSA-N 2 1 353.511 0.747 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000446801193 490166216 /nfs/dbraw/zinc/16/62/16/490166216.db2.gz IKKKUQJIZHSSPI-HUUCEWRRSA-N 2 1 364.494 0.714 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000422120246 490171267 /nfs/dbraw/zinc/17/12/67/490171267.db2.gz PNQLFWCAAOZRHC-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120246 490171277 /nfs/dbraw/zinc/17/12/77/490171277.db2.gz PNQLFWCAAOZRHC-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556246065 491305815 /nfs/dbraw/zinc/30/58/15/491305815.db2.gz RAKWOFBGMSWJBB-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248452 491306209 /nfs/dbraw/zinc/30/62/09/491306209.db2.gz ZZHWFBQXTRLERC-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556248452 491306211 /nfs/dbraw/zinc/30/62/11/491306211.db2.gz ZZHWFBQXTRLERC-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556248452 491306213 /nfs/dbraw/zinc/30/62/13/491306213.db2.gz ZZHWFBQXTRLERC-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@H]2C1 ZINC000497676579 490193685 /nfs/dbraw/zinc/19/36/85/490193685.db2.gz IIDKKTAWMFBRMN-ROUUACIJSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@H]2C1 ZINC000497676579 490193689 /nfs/dbraw/zinc/19/36/89/490193689.db2.gz IIDKKTAWMFBRMN-ROUUACIJSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@H]2C1 ZINC000497676579 490193694 /nfs/dbraw/zinc/19/36/94/490193694.db2.gz IIDKKTAWMFBRMN-ROUUACIJSA-N 2 1 367.538 0.112 20 0 FCADMP CCCN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000480545996 490209525 /nfs/dbraw/zinc/20/95/25/490209525.db2.gz PMDBTYBJMLKXCS-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000422257312 490211173 /nfs/dbraw/zinc/21/11/73/490211173.db2.gz HELCXRHXZBXFPJ-UHFFFAOYSA-N 2 1 352.504 0.849 20 0 FCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414636 490219262 /nfs/dbraw/zinc/21/92/62/490219262.db2.gz PSZISRSAHOLJKO-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000521217742 490237339 /nfs/dbraw/zinc/23/73/39/490237339.db2.gz WVYCEUFFUKLMLD-HOCLYGCPSA-N 2 1 362.474 0.611 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000571467368 491310163 /nfs/dbraw/zinc/31/01/63/491310163.db2.gz VWYVZFHAHVLESZ-MRXNPFEDSA-N 2 1 362.474 0.625 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000571467368 491310165 /nfs/dbraw/zinc/31/01/65/491310165.db2.gz VWYVZFHAHVLESZ-MRXNPFEDSA-N 2 1 362.474 0.625 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(N)=O ZINC000521337856 490249837 /nfs/dbraw/zinc/24/98/37/490249837.db2.gz MHXUNTVAVIKDFV-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(N)=O ZINC000521337856 490249841 /nfs/dbraw/zinc/24/98/41/490249841.db2.gz MHXUNTVAVIKDFV-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000422320944 490255995 /nfs/dbraw/zinc/25/59/95/490255995.db2.gz OBBOCPZQBDWGEL-INIZCTEOSA-N 2 1 359.474 0.685 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000422320944 490256007 /nfs/dbraw/zinc/25/60/07/490256007.db2.gz OBBOCPZQBDWGEL-INIZCTEOSA-N 2 1 359.474 0.685 20 0 FCADMP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000571521012 491312922 /nfs/dbraw/zinc/31/29/22/491312922.db2.gz PNRAAARIGVTBHI-PXNSSMCTSA-N 2 1 360.502 0.939 20 0 FCADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000467488166 490298560 /nfs/dbraw/zinc/29/85/60/490298560.db2.gz OXEJFNXNNIXRKO-IBGZPJMESA-N 2 1 365.474 0.440 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000447979826 490306726 /nfs/dbraw/zinc/30/67/26/490306726.db2.gz BKSOOORWDCORTP-CVEARBPZSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979826 490306731 /nfs/dbraw/zinc/30/67/31/490306731.db2.gz BKSOOORWDCORTP-CVEARBPZSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979826 490306735 /nfs/dbraw/zinc/30/67/35/490306735.db2.gz BKSOOORWDCORTP-CVEARBPZSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000483333292 490309223 /nfs/dbraw/zinc/30/92/23/490309223.db2.gz LLCRLLIFHUMBJI-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000534266502 490338148 /nfs/dbraw/zinc/33/81/48/490338148.db2.gz HMIQVQXONDDSAQ-YYIAUSFCSA-N 2 1 350.507 0.539 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000534266502 490338157 /nfs/dbraw/zinc/33/81/57/490338157.db2.gz HMIQVQXONDDSAQ-YYIAUSFCSA-N 2 1 350.507 0.539 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000534266502 490338169 /nfs/dbraw/zinc/33/81/69/490338169.db2.gz HMIQVQXONDDSAQ-YYIAUSFCSA-N 2 1 350.507 0.539 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626684 491319520 /nfs/dbraw/zinc/31/95/20/491319520.db2.gz PTIVKCAAKRNEHB-MLHJIOFPSA-N 2 1 356.470 0.683 20 0 FCADMP CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000522186841 490351052 /nfs/dbraw/zinc/35/10/52/490351052.db2.gz AQDRGXAIDXIQIU-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000522186842 490352001 /nfs/dbraw/zinc/35/20/01/490352001.db2.gz AQDRGXAIDXIQIU-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000498850987 490353510 /nfs/dbraw/zinc/35/35/10/490353510.db2.gz COTMWADPFWJXRM-QGZVFWFLSA-N 2 1 350.507 0.993 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289280 490367137 /nfs/dbraw/zinc/36/71/37/490367137.db2.gz ANDOFEQBJDHTEC-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000571662636 491321669 /nfs/dbraw/zinc/32/16/69/491321669.db2.gz WMJAQQROMGSKAZ-MAUKXSAKSA-N 2 1 370.563 0.921 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000484129504 490387457 /nfs/dbraw/zinc/38/74/57/490387457.db2.gz HOTLYLUGEOIYFZ-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739112 491324075 /nfs/dbraw/zinc/32/40/75/491324075.db2.gz BHGVUVJPFWASBD-FGTMMUONSA-N 2 1 371.485 0.462 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000522982806 490425167 /nfs/dbraw/zinc/42/51/67/490425167.db2.gz GERBRNCSQNPOCH-MRXNPFEDSA-N 2 1 369.510 0.126 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c[nH]cn1 ZINC000522981519 490425787 /nfs/dbraw/zinc/42/57/87/490425787.db2.gz VZCBVDXQTBMTGN-UHFFFAOYSA-N 2 1 350.448 0.295 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000422628035 490432884 /nfs/dbraw/zinc/43/28/84/490432884.db2.gz RYHCLTRNJZIZDT-FHERZECASA-N 2 1 368.522 0.279 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000422628035 490432888 /nfs/dbraw/zinc/43/28/88/490432888.db2.gz RYHCLTRNJZIZDT-FHERZECASA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422625607 490432966 /nfs/dbraw/zinc/43/29/66/490432966.db2.gz BXFIQYAPNBTENS-MGPQQGTHSA-N 2 1 368.503 0.968 20 0 FCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422631753 490434566 /nfs/dbraw/zinc/43/45/66/490434566.db2.gz FVTJYDSKXDBGSM-IJEWVQPXSA-N 2 1 362.474 0.472 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422631753 490434572 /nfs/dbraw/zinc/43/45/72/490434572.db2.gz FVTJYDSKXDBGSM-IJEWVQPXSA-N 2 1 362.474 0.472 20 0 FCADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000484517161 490435895 /nfs/dbraw/zinc/43/58/95/490435895.db2.gz IFNGWVWPFMQBMO-INIZCTEOSA-N 2 1 352.548 0.854 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000422642570 490439871 /nfs/dbraw/zinc/43/98/71/490439871.db2.gz ZPPDKJIPFBEKMO-IKGGRYGDSA-N 2 1 360.506 0.821 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000509709220 490453886 /nfs/dbraw/zinc/45/38/86/490453886.db2.gz AKTYAJHOANLONT-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCOC)C[C@@H]1C ZINC000509709220 490453892 /nfs/dbraw/zinc/45/38/92/490453892.db2.gz AKTYAJHOANLONT-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@@H+](C)CCCOC)C[C@@H]1C ZINC000509709220 490453899 /nfs/dbraw/zinc/45/38/99/490453899.db2.gz AKTYAJHOANLONT-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681891 491327734 /nfs/dbraw/zinc/32/77/34/491327734.db2.gz AWSMLZBQXHRADG-IRXDYDNUSA-N 2 1 350.507 0.526 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1([NH+]2CCOCC2)CCCC1 ZINC000556681891 491327737 /nfs/dbraw/zinc/32/77/37/491327737.db2.gz AWSMLZBQXHRADG-IRXDYDNUSA-N 2 1 350.507 0.526 20 0 FCADMP CC1=CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC=C(C)CC3)CC2)CC1 ZINC000535205849 490463953 /nfs/dbraw/zinc/46/39/53/490463953.db2.gz KRASZXDYLMBBIF-UHFFFAOYSA-N 2 1 360.502 0.961 20 0 FCADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000484757557 490464671 /nfs/dbraw/zinc/46/46/71/490464671.db2.gz PBCMUVYCDGGYLT-DZUCGIPZSA-N 2 1 364.442 0.902 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000509811098 490467554 /nfs/dbraw/zinc/46/75/54/490467554.db2.gz JDQDTQALNNPHAC-UXLLHSPISA-N 2 1 356.511 0.339 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000509811101 490467868 /nfs/dbraw/zinc/46/78/68/490467868.db2.gz JDQDTQALNNPHAC-ZOBUZTSGSA-N 2 1 356.511 0.339 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422765478 490472657 /nfs/dbraw/zinc/47/26/57/490472657.db2.gz WEXOGDBLSRWVKN-CVEARBPZSA-N 2 1 352.479 0.040 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484912547 490477445 /nfs/dbraw/zinc/47/74/45/490477445.db2.gz FMIUPDJOYNIOIB-YDHLFZDLSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484912547 490477453 /nfs/dbraw/zinc/47/74/53/490477453.db2.gz FMIUPDJOYNIOIB-YDHLFZDLSA-N 2 1 368.503 0.050 20 0 FCADMP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422871543 490489437 /nfs/dbraw/zinc/48/94/37/490489437.db2.gz ZBRPIRUNILXNCY-MAUKXSAKSA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C ZINC000500356455 490507221 /nfs/dbraw/zinc/50/72/21/490507221.db2.gz MQMZPIQHKHQDJT-RHSMWYFYSA-N 2 1 362.478 0.866 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968252 490507855 /nfs/dbraw/zinc/50/78/55/490507855.db2.gz VYKRBLNMWUJUOE-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000423000172 490514526 /nfs/dbraw/zinc/51/45/26/490514526.db2.gz YWFGPBPQKWMTKX-GOEBONIOSA-N 2 1 355.504 0.777 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCO1 ZINC000423036713 490526218 /nfs/dbraw/zinc/52/62/18/490526218.db2.gz LJKWNYLQQKKRBQ-SFHVURJKSA-N 2 1 374.485 0.297 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423037339 490526965 /nfs/dbraw/zinc/52/69/65/490526965.db2.gz MRUJWGGUQVLBHC-RTBURBONSA-N 2 1 370.497 0.441 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000423038456 490526990 /nfs/dbraw/zinc/52/69/90/490526990.db2.gz OJRZLYHLFIKMQB-GOSISDBHSA-N 2 1 358.486 0.584 20 0 FCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423037338 490527168 /nfs/dbraw/zinc/52/71/68/490527168.db2.gz MRUJWGGUQVLBHC-RBUKOAKNSA-N 2 1 370.497 0.441 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000485392924 490528514 /nfs/dbraw/zinc/52/85/14/490528514.db2.gz XMUPJERVBPVXDM-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423057451 490531942 /nfs/dbraw/zinc/53/19/42/490531942.db2.gz ZTOJDXPTBUGPRA-QGZVFWFLSA-N 2 1 374.485 0.679 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423057451 490531945 /nfs/dbraw/zinc/53/19/45/490531945.db2.gz ZTOJDXPTBUGPRA-QGZVFWFLSA-N 2 1 374.485 0.679 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485565196 490543408 /nfs/dbraw/zinc/54/34/08/490543408.db2.gz YPKBLKIGNKEHDI-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485565196 490543412 /nfs/dbraw/zinc/54/34/12/490543412.db2.gz YPKBLKIGNKEHDI-UHFFFAOYSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000524783705 490560205 /nfs/dbraw/zinc/56/02/05/490560205.db2.gz XHFAULZIBSHQJG-JKSUJKDBSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122043 490626854 /nfs/dbraw/zinc/62/68/54/490626854.db2.gz ONZRCHKSDZJROY-KDOFPFPSSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635906 490627339 /nfs/dbraw/zinc/62/73/39/490627339.db2.gz GVRXVVFZFNJFMG-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCC[N@H+]1C ZINC000501636744 490627447 /nfs/dbraw/zinc/62/74/47/490627447.db2.gz HWZZREILXZNROI-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636744 490627450 /nfs/dbraw/zinc/62/74/50/490627450.db2.gz HWZZREILXZNROI-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH+]1C ZINC000501636744 490627453 /nfs/dbraw/zinc/62/74/53/490627453.db2.gz HWZZREILXZNROI-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1nc2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550125320 490628819 /nfs/dbraw/zinc/62/88/19/490628819.db2.gz WNZGODXIRRPBPB-CQSZACIVSA-N 2 1 355.442 0.814 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000550129543 490630026 /nfs/dbraw/zinc/63/00/26/490630026.db2.gz ITCOBWLHXSYAFR-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638724 490629973 /nfs/dbraw/zinc/62/99/73/490629973.db2.gz LGPKHBQMGHGKBE-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638724 490629977 /nfs/dbraw/zinc/62/99/77/490629977.db2.gz LGPKHBQMGHGKBE-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000501638724 490629981 /nfs/dbraw/zinc/62/99/81/490629981.db2.gz LGPKHBQMGHGKBE-KZNAEPCWSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501644245 490630101 /nfs/dbraw/zinc/63/01/01/490630101.db2.gz XDKRJHXAOCIYQG-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501644245 490630105 /nfs/dbraw/zinc/63/01/05/490630105.db2.gz XDKRJHXAOCIYQG-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501644245 490630108 /nfs/dbraw/zinc/63/01/08/490630108.db2.gz XDKRJHXAOCIYQG-QGZVFWFLSA-N 2 1 350.507 0.921 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501648119 490631615 /nfs/dbraw/zinc/63/16/15/490631615.db2.gz XXWKQPOKLLTIBL-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000511842308 490632016 /nfs/dbraw/zinc/63/20/16/490632016.db2.gz KPNCFHUVEYTSRA-JCYILVPMSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000511842308 490632021 /nfs/dbraw/zinc/63/20/21/490632021.db2.gz KPNCFHUVEYTSRA-JCYILVPMSA-N 2 1 350.507 0.918 20 0 FCADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000486581122 490649204 /nfs/dbraw/zinc/64/92/04/490649204.db2.gz RRRKRXRRIUZNFX-SFHVURJKSA-N 2 1 350.507 0.337 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000572028837 491343719 /nfs/dbraw/zinc/34/37/19/491343719.db2.gz HMTRIOQEIWQUHF-GJZGRUSLSA-N 2 1 353.438 0.742 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000512219466 490665064 /nfs/dbraw/zinc/66/50/64/490665064.db2.gz YPLXKQQTBNSYIU-UHFFFAOYSA-N 2 1 362.478 0.531 20 0 FCADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)N1CCc2ccccc21 ZINC000512249188 490668522 /nfs/dbraw/zinc/66/85/22/490668522.db2.gz LYCIDMVWORXVCH-SFHVURJKSA-N 2 1 374.529 0.944 20 0 FCADMP CS(=O)(=O)C1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000556921031 491344089 /nfs/dbraw/zinc/34/40/89/491344089.db2.gz LTAXWJWFEOQRPZ-UHFFFAOYSA-N 2 1 373.563 0.730 20 0 FCADMP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000486804335 490673004 /nfs/dbraw/zinc/67/30/04/490673004.db2.gz KNWIRJNWALZXHP-HOTGVXAUSA-N 2 1 357.462 0.582 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487048835 490689169 /nfs/dbraw/zinc/68/91/69/490689169.db2.gz QPHDVEYUWUURSG-JSRQGNBESA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000487048835 490689174 /nfs/dbraw/zinc/68/91/74/490689174.db2.gz QPHDVEYUWUURSG-JSRQGNBESA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000487048835 490689178 /nfs/dbraw/zinc/68/91/78/490689178.db2.gz QPHDVEYUWUURSG-JSRQGNBESA-N 2 1 350.507 0.441 20 0 FCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000487073970 490691381 /nfs/dbraw/zinc/69/13/81/490691381.db2.gz QNTBVSCSAWGDIT-UFYUIRFASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000487073970 490691385 /nfs/dbraw/zinc/69/13/85/490691385.db2.gz QNTBVSCSAWGDIT-UFYUIRFASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000487073970 490691388 /nfs/dbraw/zinc/69/13/88/490691388.db2.gz QNTBVSCSAWGDIT-UFYUIRFASA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512809768 490699644 /nfs/dbraw/zinc/69/96/44/490699644.db2.gz VWVNHBVABMRXTB-MSOLQXFVSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512809768 490699648 /nfs/dbraw/zinc/69/96/48/490699648.db2.gz VWVNHBVABMRXTB-MSOLQXFVSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512809768 490699650 /nfs/dbraw/zinc/69/96/50/490699650.db2.gz VWVNHBVABMRXTB-MSOLQXFVSA-N 2 1 367.538 0.255 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000502392086 490703193 /nfs/dbraw/zinc/70/31/93/490703193.db2.gz MNUVPZJLTGPENV-DLBZAZTESA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000502392086 490703196 /nfs/dbraw/zinc/70/31/96/490703196.db2.gz MNUVPZJLTGPENV-DLBZAZTESA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000502392086 490703201 /nfs/dbraw/zinc/70/32/01/490703201.db2.gz MNUVPZJLTGPENV-DLBZAZTESA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000502392086 490703204 /nfs/dbraw/zinc/70/32/04/490703204.db2.gz MNUVPZJLTGPENV-DLBZAZTESA-N 2 1 369.506 0.973 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557001008 491348037 /nfs/dbraw/zinc/34/80/37/491348037.db2.gz LUYQKQCGNXHFHK-GDBMZVCRSA-N 2 1 359.474 0.789 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557001008 491348039 /nfs/dbraw/zinc/34/80/39/491348039.db2.gz LUYQKQCGNXHFHK-GDBMZVCRSA-N 2 1 359.474 0.789 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@@H](C)O1 ZINC000538043195 490706906 /nfs/dbraw/zinc/70/69/06/490706906.db2.gz FACLIHZMXHNFHD-ZIAGYGMSSA-N 2 1 356.467 0.162 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478351 490733394 /nfs/dbraw/zinc/73/33/94/490733394.db2.gz XEVMISRSMLQDIE-HZPDHXFCSA-N 2 1 370.538 0.696 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)O1 ZINC000527558052 490738275 /nfs/dbraw/zinc/73/82/75/490738275.db2.gz KPCZLYFGILJJSN-FRFSOERESA-N 2 1 351.447 0.646 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)O1 ZINC000527558052 490738278 /nfs/dbraw/zinc/73/82/78/490738278.db2.gz KPCZLYFGILJJSN-FRFSOERESA-N 2 1 351.447 0.646 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882902 490752969 /nfs/dbraw/zinc/75/29/69/490752969.db2.gz RQNLRSPDWYSIDL-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882902 490752972 /nfs/dbraw/zinc/75/29/72/490752972.db2.gz RQNLRSPDWYSIDL-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000527768827 490758713 /nfs/dbraw/zinc/75/87/13/490758713.db2.gz SVHDQQGQLVLNQT-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000557131907 491355649 /nfs/dbraw/zinc/35/56/49/491355649.db2.gz KSBNRQDRWUVJKW-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000557131907 491355650 /nfs/dbraw/zinc/35/56/50/491355650.db2.gz KSBNRQDRWUVJKW-KRWDZBQOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000514816670 490790436 /nfs/dbraw/zinc/79/04/36/490790436.db2.gz LHOYKRGTUSEQKS-NXNVCVFFSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000514816670 490790438 /nfs/dbraw/zinc/79/04/38/490790438.db2.gz LHOYKRGTUSEQKS-NXNVCVFFSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000514816670 490790441 /nfs/dbraw/zinc/79/04/41/490790441.db2.gz LHOYKRGTUSEQKS-NXNVCVFFSA-N 2 1 350.507 0.917 20 0 FCADMP [NH3+]CCC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000565149969 491355870 /nfs/dbraw/zinc/35/58/70/491355870.db2.gz FQWXMSYPBGUMQH-KRWDZBQOSA-N 2 1 366.506 0.287 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000557132685 491356058 /nfs/dbraw/zinc/35/60/58/491356058.db2.gz CZKVXSVYSWLGST-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000557132685 491356059 /nfs/dbraw/zinc/35/60/59/491356059.db2.gz CZKVXSVYSWLGST-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000557132685 491356061 /nfs/dbraw/zinc/35/60/61/491356061.db2.gz CZKVXSVYSWLGST-BFYDXBDKSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000514861881 490793503 /nfs/dbraw/zinc/79/35/03/490793503.db2.gz VKTQZMFMUOTUKE-VBQJREDUSA-N 2 1 362.474 0.111 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000514999367 490801816 /nfs/dbraw/zinc/80/18/16/490801816.db2.gz GFFBTTLITVXHPX-QGZVFWFLSA-N 2 1 365.522 0.668 20 0 FCADMP CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154449 491356950 /nfs/dbraw/zinc/35/69/50/491356950.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 2 1 359.518 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000540244150 490810820 /nfs/dbraw/zinc/81/08/20/490810820.db2.gz KNCXNVAUWVXKRN-GASCZTMLSA-N 2 1 368.478 0.128 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000540244150 490810821 /nfs/dbraw/zinc/81/08/21/490810821.db2.gz KNCXNVAUWVXKRN-GASCZTMLSA-N 2 1 368.478 0.128 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322859 490817408 /nfs/dbraw/zinc/81/74/08/490817408.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 2 1 356.555 0.414 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000528678768 490818887 /nfs/dbraw/zinc/81/88/87/490818887.db2.gz YZSWORKBIIBNSS-CVEARBPZSA-N 2 1 361.446 0.246 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000528678768 490818889 /nfs/dbraw/zinc/81/88/89/490818889.db2.gz YZSWORKBIIBNSS-CVEARBPZSA-N 2 1 361.446 0.246 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000515356910 490821626 /nfs/dbraw/zinc/82/16/26/490821626.db2.gz MMZBAZQOYQSNAN-AWEZNQCLSA-N 2 1 361.446 0.566 20 0 FCADMP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000515385008 490823611 /nfs/dbraw/zinc/82/36/11/490823611.db2.gz STWHZWIMCLAEQZ-IRXDYDNUSA-N 2 1 355.504 0.273 20 0 FCADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000515385008 490823614 /nfs/dbraw/zinc/82/36/14/490823614.db2.gz STWHZWIMCLAEQZ-IRXDYDNUSA-N 2 1 355.504 0.273 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000565184921 491358471 /nfs/dbraw/zinc/35/84/71/491358471.db2.gz DVMLABDTRXWHBE-DLBZAZTESA-N 2 1 366.506 0.332 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000540696197 490834244 /nfs/dbraw/zinc/83/42/44/490834244.db2.gz KKNMIKWIPAWADV-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000540696197 490834247 /nfs/dbraw/zinc/83/42/47/490834247.db2.gz KKNMIKWIPAWADV-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000540696197 490834249 /nfs/dbraw/zinc/83/42/49/490834249.db2.gz KKNMIKWIPAWADV-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572304675 491361674 /nfs/dbraw/zinc/36/16/74/491361674.db2.gz XFEWAHQQHUWXDK-SJORKVTESA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000516207726 490857108 /nfs/dbraw/zinc/85/71/08/490857108.db2.gz GWKHXRCQKTXZLP-CYBMUJFWSA-N 2 1 352.460 0.597 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529379922 490858419 /nfs/dbraw/zinc/85/84/19/490858419.db2.gz LRGRSJOOXWKGHT-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000557249901 491362168 /nfs/dbraw/zinc/36/21/68/491362168.db2.gz JHGHLJQJELNFTL-OAHLLOKOSA-N 2 1 354.495 0.014 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000557251265 491362373 /nfs/dbraw/zinc/36/23/73/491362373.db2.gz RFOAELUPKWEBRS-KRWDZBQOSA-N 2 1 368.522 0.405 20 0 FCADMP C[NH+](C)CC1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCCC1 ZINC000541839711 490875324 /nfs/dbraw/zinc/87/53/24/490875324.db2.gz UFBRHZGNVABINE-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000516695753 490875414 /nfs/dbraw/zinc/87/54/14/490875414.db2.gz OOUWOWLUGYXJNE-HUUCEWRRSA-N 2 1 350.463 0.152 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000516695753 490875417 /nfs/dbraw/zinc/87/54/17/490875417.db2.gz OOUWOWLUGYXJNE-HUUCEWRRSA-N 2 1 350.463 0.152 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000516760113 490876802 /nfs/dbraw/zinc/87/68/02/490876802.db2.gz WAAMYEIKWWKMAJ-AEFFLSMTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000516786819 490878060 /nfs/dbraw/zinc/87/80/60/490878060.db2.gz GWNLHDQRJPFNHR-BZUAXINKSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000517221676 490899523 /nfs/dbraw/zinc/89/95/23/490899523.db2.gz XEADBEWCAPVFFU-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000530429599 490905552 /nfs/dbraw/zinc/90/55/52/490905552.db2.gz JQWVPSCZUGVOAV-HOTGVXAUSA-N 2 1 369.535 0.967 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000517577855 490913184 /nfs/dbraw/zinc/91/31/84/490913184.db2.gz BKGBIHKCONQSTI-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000517738689 490918502 /nfs/dbraw/zinc/91/85/02/490918502.db2.gz OSLWDPHYBWLRJR-IAGOWNOFSA-N 2 1 363.506 0.563 20 0 FCADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000517937109 490925253 /nfs/dbraw/zinc/92/52/53/490925253.db2.gz MJIRFQDBYJALMN-RDJZCZTQSA-N 2 1 366.485 0.086 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000518004464 490928224 /nfs/dbraw/zinc/92/82/24/490928224.db2.gz UUYRJLIMCPBZOH-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000518004464 490928225 /nfs/dbraw/zinc/92/82/25/490928225.db2.gz UUYRJLIMCPBZOH-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000518004464 490928226 /nfs/dbraw/zinc/92/82/26/490928226.db2.gz UUYRJLIMCPBZOH-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCCCC1 ZINC000543380830 490931300 /nfs/dbraw/zinc/93/13/00/490931300.db2.gz RNSJRDAEMKAOBW-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000565249034 491365078 /nfs/dbraw/zinc/36/50/78/491365078.db2.gz GFSJCTICZVQWDD-HNNXBMFYSA-N 2 1 357.462 0.177 20 0 FCADMP CCOc1ccnc(N2CCCN(C[C@@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000518214056 490933450 /nfs/dbraw/zinc/93/34/50/490933450.db2.gz YMVJFWYASAXSGP-INIZCTEOSA-N 2 1 367.494 0.327 20 0 FCADMP CCOc1ccnc(N2CCC[N@H+](C[C@@H](O)CN(C)CCOC)CC2)n1 ZINC000518214056 490933452 /nfs/dbraw/zinc/93/34/52/490933452.db2.gz YMVJFWYASAXSGP-INIZCTEOSA-N 2 1 367.494 0.327 20 0 FCADMP CCOc1ccnc(N2CCC[N@@H+](C[C@@H](O)CN(C)CCOC)CC2)n1 ZINC000518214056 490933455 /nfs/dbraw/zinc/93/34/55/490933455.db2.gz YMVJFWYASAXSGP-INIZCTEOSA-N 2 1 367.494 0.327 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000557288879 491365594 /nfs/dbraw/zinc/36/55/94/491365594.db2.gz ROJNKOOMRBUYEC-KBAYOESNSA-N 2 1 358.486 0.820 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000565255354 491366325 /nfs/dbraw/zinc/36/63/25/491366325.db2.gz RRZGZGMFZMQXHO-IAGOWNOFSA-N 2 1 359.474 0.592 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000518891086 490954675 /nfs/dbraw/zinc/95/46/75/490954675.db2.gz JROCWDSQNGKEMC-HNNXBMFYSA-N 2 1 360.458 0.973 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000518891086 490954678 /nfs/dbraw/zinc/95/46/78/490954678.db2.gz JROCWDSQNGKEMC-HNNXBMFYSA-N 2 1 360.458 0.973 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000531484730 490960299 /nfs/dbraw/zinc/96/02/99/490960299.db2.gz JCTSGPSCGJSJKV-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3CC[N@H+](C)C3)C2(C)C)C1 ZINC000531491532 490960853 /nfs/dbraw/zinc/96/08/53/490960853.db2.gz NSJMVABUMMNFQG-JDPPGYRCSA-N 2 1 364.534 0.925 20 0 FCADMP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000572392542 491367048 /nfs/dbraw/zinc/36/70/48/491367048.db2.gz ZXDJKNOXMKKJLT-ZWKOTPCHSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315166 490990821 /nfs/dbraw/zinc/99/08/21/490990821.db2.gz NXRLDAAKOHANBR-PBHICJAKSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000562543593 491172437 /nfs/dbraw/zinc/17/24/37/491172437.db2.gz ZKKWYVKVANTLOJ-UHFFFAOYSA-N 2 1 351.495 0.324 20 0 FCADMP CC(C)(CCC[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000569724964 491186454 /nfs/dbraw/zinc/18/64/54/491186454.db2.gz WYQBJJGDLBZOKI-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000554231627 491186499 /nfs/dbraw/zinc/18/64/99/491186499.db2.gz XQQLQZPLVKOWMU-OAHLLOKOSA-N 2 1 356.536 0.532 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000554231627 491186501 /nfs/dbraw/zinc/18/65/01/491186501.db2.gz XQQLQZPLVKOWMU-OAHLLOKOSA-N 2 1 356.536 0.532 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000562771386 491187577 /nfs/dbraw/zinc/18/75/77/491187577.db2.gz LJBNWFZJYBFLEI-GOSISDBHSA-N 2 1 358.486 0.960 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257038 493337338 /nfs/dbraw/zinc/33/73/38/493337338.db2.gz GQEQTAJPYKVCJF-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257038 493337340 /nfs/dbraw/zinc/33/73/40/493337340.db2.gz GQEQTAJPYKVCJF-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257038 493337342 /nfs/dbraw/zinc/33/73/42/493337342.db2.gz GQEQTAJPYKVCJF-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@@H]1C ZINC000660257038 493337345 /nfs/dbraw/zinc/33/73/45/493337345.db2.gz GQEQTAJPYKVCJF-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000572509526 491375396 /nfs/dbraw/zinc/37/53/96/491375396.db2.gz NUDCGWQSQCBYRP-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000660279119 493338081 /nfs/dbraw/zinc/33/80/81/493338081.db2.gz VPZJKJWYDGHCIH-SJORKVTESA-N 2 1 371.485 0.734 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000572603164 491380948 /nfs/dbraw/zinc/38/09/48/491380948.db2.gz XWQJRLDREBSFFY-IAGOWNOFSA-N 2 1 366.506 0.158 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000660279119 493338085 /nfs/dbraw/zinc/33/80/85/493338085.db2.gz VPZJKJWYDGHCIH-SJORKVTESA-N 2 1 371.485 0.734 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557554533 491382197 /nfs/dbraw/zinc/38/21/97/491382197.db2.gz MPDKFALJADESOM-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1C ZINC000557748370 491396106 /nfs/dbraw/zinc/39/61/06/491396106.db2.gz JUQASJMVSYMTDZ-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000557748370 491396107 /nfs/dbraw/zinc/39/61/07/491396107.db2.gz JUQASJMVSYMTDZ-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748370 491396108 /nfs/dbraw/zinc/39/61/08/491396108.db2.gz JUQASJMVSYMTDZ-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748370 491396110 /nfs/dbraw/zinc/39/61/10/491396110.db2.gz JUQASJMVSYMTDZ-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000557768074 491396890 /nfs/dbraw/zinc/39/68/90/491396890.db2.gz DXLBNMUIPSAAJK-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573346209 491428080 /nfs/dbraw/zinc/42/80/80/491428080.db2.gz BBKPWGVGOJFJJQ-KBPBESRZSA-N 2 1 365.444 0.948 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000566236658 491428783 /nfs/dbraw/zinc/42/87/83/491428783.db2.gz HXYLNEWKTNVICD-YCPHGPKFSA-N 2 1 356.511 0.482 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1)S(C)(=O)=O ZINC000566244847 491430214 /nfs/dbraw/zinc/43/02/14/491430214.db2.gz AQQIVSDFZFUBOX-SQNIBIBYSA-N 2 1 369.531 0.521 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1)S(C)(=O)=O ZINC000566244847 491430217 /nfs/dbraw/zinc/43/02/17/491430217.db2.gz AQQIVSDFZFUBOX-SQNIBIBYSA-N 2 1 369.531 0.521 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000573570212 491441023 /nfs/dbraw/zinc/44/10/23/491441023.db2.gz MLIKIXQHNRTCIA-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000573570210 491441263 /nfs/dbraw/zinc/44/12/63/491441263.db2.gz MLIKIXQHNRTCIA-MSOLQXFVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000566551412 491452718 /nfs/dbraw/zinc/45/27/18/491452718.db2.gz ZMWANUJHQJRIDD-IRXDYDNUSA-N 2 1 360.506 0.891 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000573823648 491457254 /nfs/dbraw/zinc/45/72/54/491457254.db2.gz LPPUOEMDPZZFQS-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000573823648 491457255 /nfs/dbraw/zinc/45/72/55/491457255.db2.gz LPPUOEMDPZZFQS-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP CC(C)[NH2+]CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000573864112 491459741 /nfs/dbraw/zinc/45/97/41/491459741.db2.gz CIIVNJHTRXCOBL-UHFFFAOYSA-N 2 1 362.474 0.962 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000573876175 491460769 /nfs/dbraw/zinc/46/07/69/491460769.db2.gz YAOXEJLNPXCPMG-UHFFFAOYSA-N 2 1 368.522 0.405 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559327553 491464596 /nfs/dbraw/zinc/46/45/96/491464596.db2.gz XBSYDPXQJZWFAB-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000559327553 491464598 /nfs/dbraw/zinc/46/45/98/491464598.db2.gz XBSYDPXQJZWFAB-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574032711 491470043 /nfs/dbraw/zinc/47/00/43/491470043.db2.gz QOFUOWJMXQHDBE-INDMIFKZSA-N 2 1 368.481 0.397 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000559439900 491472982 /nfs/dbraw/zinc/47/29/82/491472982.db2.gz HMWJEIHCPRBZML-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000559439900 491472983 /nfs/dbraw/zinc/47/29/83/491472983.db2.gz HMWJEIHCPRBZML-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000559439900 491472984 /nfs/dbraw/zinc/47/29/84/491472984.db2.gz HMWJEIHCPRBZML-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000559442295 491473049 /nfs/dbraw/zinc/47/30/49/491473049.db2.gz SBPGIWCGVRFZLC-JKSUJKDBSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000559442295 491473051 /nfs/dbraw/zinc/47/30/51/491473051.db2.gz SBPGIWCGVRFZLC-JKSUJKDBSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000559442295 491473053 /nfs/dbraw/zinc/47/30/53/491473053.db2.gz SBPGIWCGVRFZLC-JKSUJKDBSA-N 2 1 356.511 0.306 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000566890267 491473741 /nfs/dbraw/zinc/47/37/41/491473741.db2.gz IZZUZVGXIFXBGY-ZDUSSCGKSA-N 2 1 357.418 0.639 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000567063483 491483887 /nfs/dbraw/zinc/48/38/87/491483887.db2.gz ZIQHUHPNSNWKLB-INIZCTEOSA-N 2 1 361.490 0.121 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000668368568 493341436 /nfs/dbraw/zinc/34/14/36/493341436.db2.gz BNLRTJXIJUEMLX-ZWKOTPCHSA-N 2 1 360.502 0.876 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567163903 491489649 /nfs/dbraw/zinc/48/96/49/491489649.db2.gz GOHASUCKTAXXHU-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)[C@@H]2C1 ZINC000567303121 491498183 /nfs/dbraw/zinc/49/81/83/491498183.db2.gz IOHCFKHEPBADDI-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307482 491498849 /nfs/dbraw/zinc/49/88/49/491498849.db2.gz IIMCFQOFMLHKJM-OALUTQOASA-N 2 1 361.486 0.574 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000567307482 491498851 /nfs/dbraw/zinc/49/88/51/491498851.db2.gz IIMCFQOFMLHKJM-OALUTQOASA-N 2 1 361.486 0.574 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000567334731 491500054 /nfs/dbraw/zinc/50/00/54/491500054.db2.gz IBPGRFQKRKAZSM-LJQANCHMSA-N 2 1 372.513 0.830 20 0 FCADMP COC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000567349420 491500554 /nfs/dbraw/zinc/50/05/54/491500554.db2.gz NDCXVNPQMIAARW-IBGZPJMESA-N 2 1 364.465 0.690 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000574577259 491506182 /nfs/dbraw/zinc/50/61/82/491506182.db2.gz PQHUJTODZKSHPM-OAHLLOKOSA-N 2 1 361.490 0.813 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868016 491506611 /nfs/dbraw/zinc/50/66/11/491506611.db2.gz WZKJZBFNHIEXDI-MRRJBJDNSA-N 2 1 354.520 0.139 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCN1C ZINC000574598891 491507695 /nfs/dbraw/zinc/50/76/95/491507695.db2.gz DLVLVEXMFXRNGH-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000574598891 491507698 /nfs/dbraw/zinc/50/76/98/491507698.db2.gz DLVLVEXMFXRNGH-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000574598891 491507702 /nfs/dbraw/zinc/50/77/02/491507702.db2.gz DLVLVEXMFXRNGH-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000574598891 491507705 /nfs/dbraw/zinc/50/77/05/491507705.db2.gz DLVLVEXMFXRNGH-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559906966 491509721 /nfs/dbraw/zinc/50/97/21/491509721.db2.gz KAZMPBGAPSOXRL-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496285 491510195 /nfs/dbraw/zinc/51/01/95/491510195.db2.gz VAXMFPCUGPYXJD-JXFKEZNVSA-N 2 1 374.485 0.949 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015483 491514995 /nfs/dbraw/zinc/51/49/95/491514995.db2.gz NMYGKZBVPGQOOX-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000560024575 491516023 /nfs/dbraw/zinc/51/60/23/491516023.db2.gz MUWUWFZTRVRIPD-IRXDYDNUSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560024575 491516025 /nfs/dbraw/zinc/51/60/25/491516025.db2.gz MUWUWFZTRVRIPD-IRXDYDNUSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560024575 491516026 /nfs/dbraw/zinc/51/60/26/491516026.db2.gz MUWUWFZTRVRIPD-IRXDYDNUSA-N 2 1 366.506 0.035 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000560024574 491516264 /nfs/dbraw/zinc/51/62/64/491516264.db2.gz MUWUWFZTRVRIPD-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000560024574 491516265 /nfs/dbraw/zinc/51/62/65/491516265.db2.gz MUWUWFZTRVRIPD-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560024574 491516268 /nfs/dbraw/zinc/51/62/68/491516268.db2.gz MUWUWFZTRVRIPD-IAGOWNOFSA-N 2 1 366.506 0.035 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000560298991 491529239 /nfs/dbraw/zinc/52/92/39/491529239.db2.gz BVIIZHDEFXQNNE-UHFFFAOYSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660404768 493348786 /nfs/dbraw/zinc/34/87/86/493348786.db2.gz OJZNHMATYQBXRZ-GOSISDBHSA-N 2 1 367.538 0.520 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000575108640 491539803 /nfs/dbraw/zinc/53/98/03/491539803.db2.gz WMLMEFVZGAXTGI-PMPSAXMXSA-N 2 1 351.495 0.323 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916289 491541372 /nfs/dbraw/zinc/54/13/72/491541372.db2.gz POMYLPVTPLPJHJ-IRXDYDNUSA-N 2 1 372.469 0.335 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)CCN2C1=O ZINC000567916289 491541374 /nfs/dbraw/zinc/54/13/74/491541374.db2.gz POMYLPVTPLPJHJ-IRXDYDNUSA-N 2 1 372.469 0.335 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567990233 491545558 /nfs/dbraw/zinc/54/55/58/491545558.db2.gz JWUMWVLWPWJPOU-INIZCTEOSA-N 3 1 352.523 0.663 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000567990233 491545561 /nfs/dbraw/zinc/54/55/61/491545561.db2.gz JWUMWVLWPWJPOU-INIZCTEOSA-N 3 1 352.523 0.663 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000575243835 491547798 /nfs/dbraw/zinc/54/77/98/491547798.db2.gz DTORJFQTGCOOQE-XIRDDKMYSA-N 2 1 372.469 0.956 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656023 491550150 /nfs/dbraw/zinc/55/01/50/491550150.db2.gz VTQIOAKPZSUPLW-MRXNPFEDSA-N 2 1 362.449 0.727 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656023 491550151 /nfs/dbraw/zinc/55/01/51/491550151.db2.gz VTQIOAKPZSUPLW-MRXNPFEDSA-N 2 1 362.449 0.727 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000560656023 491550152 /nfs/dbraw/zinc/55/01/52/491550152.db2.gz VTQIOAKPZSUPLW-MRXNPFEDSA-N 2 1 362.449 0.727 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000560793819 491558176 /nfs/dbraw/zinc/55/81/76/491558176.db2.gz QNFGODVCKSHSQI-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000560793819 491558177 /nfs/dbraw/zinc/55/81/77/491558177.db2.gz QNFGODVCKSHSQI-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000560793819 491558179 /nfs/dbraw/zinc/55/81/79/491558179.db2.gz QNFGODVCKSHSQI-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP C[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000575780411 491560698 /nfs/dbraw/zinc/56/06/98/491560698.db2.gz BAUZNNKWSIGNDT-KRWDZBQOSA-N 2 1 373.501 0.724 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560883364 491561329 /nfs/dbraw/zinc/56/13/29/491561329.db2.gz BYGROWQYKTZJRI-IRXDYDNUSA-N 2 1 366.506 0.015 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+](C)C1 ZINC000568225464 491561380 /nfs/dbraw/zinc/56/13/80/491561380.db2.gz IBNJYCBSYKLQRO-HZPDHXFCSA-N 2 1 369.531 0.767 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000560939942 491566234 /nfs/dbraw/zinc/56/62/34/491566234.db2.gz RIJDLPIMIATJRG-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000560939942 491566237 /nfs/dbraw/zinc/56/62/37/491566237.db2.gz RIJDLPIMIATJRG-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000560939942 491566239 /nfs/dbraw/zinc/56/62/39/491566239.db2.gz RIJDLPIMIATJRG-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295694 491567921 /nfs/dbraw/zinc/56/79/21/491567921.db2.gz LUFXNSQDHACJEI-FGTMMUONSA-N 2 1 371.485 0.604 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000568309868 491568908 /nfs/dbraw/zinc/56/89/08/491568908.db2.gz YMIVXJNFEDVXFH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000568309868 491568910 /nfs/dbraw/zinc/56/89/10/491568910.db2.gz YMIVXJNFEDVXFH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000568309868 491568912 /nfs/dbraw/zinc/56/89/12/491568912.db2.gz YMIVXJNFEDVXFH-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000561012606 491570316 /nfs/dbraw/zinc/57/03/16/491570316.db2.gz LDLSEMUUINOAGW-GASCZTMLSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000561012606 491570319 /nfs/dbraw/zinc/57/03/19/491570319.db2.gz LDLSEMUUINOAGW-GASCZTMLSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000561012606 491570320 /nfs/dbraw/zinc/57/03/20/491570320.db2.gz LDLSEMUUINOAGW-GASCZTMLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000568373615 491572065 /nfs/dbraw/zinc/57/20/65/491572065.db2.gz OIDAMCADESIHFY-JKSUJKDBSA-N 2 1 366.506 0.333 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000568373556 491572101 /nfs/dbraw/zinc/57/21/01/491572101.db2.gz FZMVBOXZEJVIJZ-QKPAOTATSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC12CCOCC2 ZINC000577109916 491591532 /nfs/dbraw/zinc/59/15/32/491591532.db2.gz DKBVRDVWUBZXEX-CYBMUJFWSA-N 2 1 366.487 0.761 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC12CCOCC2 ZINC000577109916 491591536 /nfs/dbraw/zinc/59/15/36/491591536.db2.gz DKBVRDVWUBZXEX-CYBMUJFWSA-N 2 1 366.487 0.761 20 0 FCADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561285515 491594321 /nfs/dbraw/zinc/59/43/21/491594321.db2.gz XXGSHYOXGWWDPC-WBVHZDCISA-N 2 1 359.474 0.380 20 0 FCADMP CO[C@H](C[NH3+])C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000568631749 491594964 /nfs/dbraw/zinc/59/49/64/491594964.db2.gz WRJXTOAAWWLBKD-OAHLLOKOSA-N 2 1 368.409 0.399 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000584496529 491597486 /nfs/dbraw/zinc/59/74/86/491597486.db2.gz HSNFNYJXSYUNMH-HZPDHXFCSA-N 2 1 350.507 0.943 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000584496530 491597618 /nfs/dbraw/zinc/59/76/18/491597618.db2.gz HSNFNYJXSYUNMH-JKSUJKDBSA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000568667177 491598936 /nfs/dbraw/zinc/59/89/36/491598936.db2.gz SYNXGRQXQWPFTH-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000584524514 491599829 /nfs/dbraw/zinc/59/98/29/491599829.db2.gz JFWGSMXFLJKPBG-PBWTXFEYSA-N 2 1 370.497 0.928 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000577201345 491601187 /nfs/dbraw/zinc/60/11/87/491601187.db2.gz MBPJIYNTRYCXQT-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000577201345 491601191 /nfs/dbraw/zinc/60/11/91/491601191.db2.gz MBPJIYNTRYCXQT-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000673661640 493354465 /nfs/dbraw/zinc/35/44/65/493354465.db2.gz JZEJOBOPQPGAKT-AZUAARDMSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673661640 493354468 /nfs/dbraw/zinc/35/44/68/493354468.db2.gz JZEJOBOPQPGAKT-AZUAARDMSA-N 2 1 361.486 0.850 20 0 FCADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673661640 493354470 /nfs/dbraw/zinc/35/44/70/493354470.db2.gz JZEJOBOPQPGAKT-AZUAARDMSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238520 491605798 /nfs/dbraw/zinc/60/57/98/491605798.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000577238520 491605800 /nfs/dbraw/zinc/60/58/00/491605800.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000577238520 491605802 /nfs/dbraw/zinc/60/58/02/491605802.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238520 491605805 /nfs/dbraw/zinc/60/58/05/491605805.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000577238520 491605807 /nfs/dbraw/zinc/60/58/07/491605807.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 2 1 367.538 0.070 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000561438048 491608319 /nfs/dbraw/zinc/60/83/19/491608319.db2.gz NSSOKIQLWZWMBQ-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CS(=O)(=O)N(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000577270914 491608384 /nfs/dbraw/zinc/60/83/84/491608384.db2.gz QKYQERNVUFGLEY-GOSISDBHSA-N 2 1 366.531 0.428 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000577410631 491620600 /nfs/dbraw/zinc/62/06/00/491620600.db2.gz DDEOVJWVNASZQG-MSOLQXFVSA-N 2 1 367.534 0.944 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN4CCOC[C@@H]4C3)CC2)CC1 ZINC000577413108 491620615 /nfs/dbraw/zinc/62/06/15/491620615.db2.gz QRPMMJNCPMOYOT-IBGZPJMESA-N 2 1 364.534 0.726 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000577540765 491630771 /nfs/dbraw/zinc/63/07/71/491630771.db2.gz NZBBQDVEHJUOBO-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000576729941 491640274 /nfs/dbraw/zinc/64/02/74/491640274.db2.gz MYLKIZYDBZKTRM-WBVHZDCISA-N 2 1 359.474 0.380 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000576754413 491642164 /nfs/dbraw/zinc/64/21/64/491642164.db2.gz PELMSINCBCTUJF-WMZOPIPTSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC[N@H+]1C ZINC000561997892 491645355 /nfs/dbraw/zinc/64/53/55/491645355.db2.gz XROVUMXUPSVTTI-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997892 491645357 /nfs/dbraw/zinc/64/53/57/491645357.db2.gz XROVUMXUPSVTTI-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH+]1C ZINC000561997892 491645358 /nfs/dbraw/zinc/64/53/58/491645358.db2.gz XROVUMXUPSVTTI-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000577717013 491645354 /nfs/dbraw/zinc/64/53/54/491645354.db2.gz WEGXSBKEFQCGHP-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798401 491653085 /nfs/dbraw/zinc/65/30/85/491653085.db2.gz PCGHDFSDBOKENK-RHSMWYFYSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000569349930 491654754 /nfs/dbraw/zinc/65/47/54/491654754.db2.gz ATESHRYJIKZXED-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000577832736 491654948 /nfs/dbraw/zinc/65/49/48/491654948.db2.gz FKZYJJQCQAOUJP-QGZVFWFLSA-N 2 1 363.510 0.024 20 0 FCADMP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000577832736 491654952 /nfs/dbraw/zinc/65/49/52/491654952.db2.gz FKZYJJQCQAOUJP-QGZVFWFLSA-N 2 1 363.510 0.024 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000577850781 491656657 /nfs/dbraw/zinc/65/66/57/491656657.db2.gz LKWCHOMNCOMXPQ-HRCADAONSA-N 2 1 374.485 0.963 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000577850781 491656660 /nfs/dbraw/zinc/65/66/60/491656660.db2.gz LKWCHOMNCOMXPQ-HRCADAONSA-N 2 1 374.485 0.963 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576959181 491660508 /nfs/dbraw/zinc/66/05/08/491660508.db2.gz XWVBKCCKCLQDIA-OWCLPIDISA-N 2 1 351.495 0.594 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576987031 491662931 /nfs/dbraw/zinc/66/29/31/491662931.db2.gz STJLCKNYAKUFIJ-RTBURBONSA-N 2 1 357.502 0.800 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000577962188 491666063 /nfs/dbraw/zinc/66/60/63/491666063.db2.gz NMEQNBIPISJFRX-ROUUACIJSA-N 3 1 352.523 0.316 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000562329708 491666236 /nfs/dbraw/zinc/66/62/36/491666236.db2.gz RVJDAQIFHXBTRM-YQQAZPJKSA-N 2 1 365.522 0.569 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000562329708 491666238 /nfs/dbraw/zinc/66/62/38/491666238.db2.gz RVJDAQIFHXBTRM-YQQAZPJKSA-N 2 1 365.522 0.569 20 0 FCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000578198755 491672005 /nfs/dbraw/zinc/67/20/05/491672005.db2.gz GLGKNLMOZRMVGF-UHFFFAOYSA-N 2 1 370.475 0.342 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043267 491689815 /nfs/dbraw/zinc/68/98/15/491689815.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000579043267 491689816 /nfs/dbraw/zinc/68/98/16/491689816.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000579043267 491689817 /nfs/dbraw/zinc/68/98/17/491689817.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 2 1 368.566 0.291 20 0 FCADMP COCCCn1nccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000579109645 491691151 /nfs/dbraw/zinc/69/11/51/491691151.db2.gz WIMJLHZBIHWXLK-AEFFLSMTSA-N 2 1 363.506 1.000 20 0 FCADMP COCCCn1nccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000579109650 491691203 /nfs/dbraw/zinc/69/12/03/491691203.db2.gz WIMJLHZBIHWXLK-FUHWJXTLSA-N 2 1 363.506 1.000 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCCCC1 ZINC000579394440 491697336 /nfs/dbraw/zinc/69/73/36/491697336.db2.gz NJMUZJLEMOAVSE-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579693063 491703082 /nfs/dbraw/zinc/70/30/82/491703082.db2.gz XEYVVOCSXGIOSF-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579693063 491703083 /nfs/dbraw/zinc/70/30/83/491703083.db2.gz XEYVVOCSXGIOSF-DOTOQJQBSA-N 2 1 362.474 0.118 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000579931176 491709506 /nfs/dbraw/zinc/70/95/06/491709506.db2.gz NTUBKXFKSRSSMI-GOSISDBHSA-N 2 1 373.501 0.854 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000579945085 491710265 /nfs/dbraw/zinc/71/02/65/491710265.db2.gz LNEAPPVFLCDBDY-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000579945085 491710266 /nfs/dbraw/zinc/71/02/66/491710266.db2.gz LNEAPPVFLCDBDY-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@@H](C)O1 ZINC000580085031 491716899 /nfs/dbraw/zinc/71/68/99/491716899.db2.gz KLKTYRUDHHTFTG-HUUCEWRRSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580118248 491718402 /nfs/dbraw/zinc/71/84/02/491718402.db2.gz AFTQYEBZSVPQID-PVAVHDDUSA-N 2 1 366.506 0.033 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000580311447 491725510 /nfs/dbraw/zinc/72/55/10/491725510.db2.gz KQVLWJJYGCHNLA-GDBMZVCRSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758594 491731637 /nfs/dbraw/zinc/73/16/37/491731637.db2.gz FTCWHWVFYQIUPS-QGZVFWFLSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000580530964 491734545 /nfs/dbraw/zinc/73/45/45/491734545.db2.gz JYCUOWBBOCOZOW-QAPCUYQASA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100178 491734841 /nfs/dbraw/zinc/73/48/41/491734841.db2.gz WBPPURCXGMENPL-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100178 491734842 /nfs/dbraw/zinc/73/48/42/491734842.db2.gz WBPPURCXGMENPL-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100178 491734843 /nfs/dbraw/zinc/73/48/43/491734843.db2.gz WBPPURCXGMENPL-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587100109 491734889 /nfs/dbraw/zinc/73/48/89/491734889.db2.gz OUUYWZDMRJSAAG-ULQDDVLXSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000587100109 491734890 /nfs/dbraw/zinc/73/48/90/491734890.db2.gz OUUYWZDMRJSAAG-ULQDDVLXSA-N 2 1 365.522 0.855 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000587100109 491734891 /nfs/dbraw/zinc/73/48/91/491734891.db2.gz OUUYWZDMRJSAAG-ULQDDVLXSA-N 2 1 365.522 0.855 20 0 FCADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000580533515 491734975 /nfs/dbraw/zinc/73/49/75/491734975.db2.gz VDODROFUVLPJDN-IRXDYDNUSA-N 2 1 365.522 0.001 20 0 FCADMP O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NCC[NH+]1CCCCCC1 ZINC000580613197 491738848 /nfs/dbraw/zinc/73/88/48/491738848.db2.gz ZQIDZCXWMKZWJZ-SJORKVTESA-N 2 1 365.522 0.905 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000580861047 491749308 /nfs/dbraw/zinc/74/93/08/491749308.db2.gz RBVNYHJCEGZLEF-BZUAXINKSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000580861047 491749310 /nfs/dbraw/zinc/74/93/10/491749310.db2.gz RBVNYHJCEGZLEF-BZUAXINKSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000580861047 491749312 /nfs/dbraw/zinc/74/93/12/491749312.db2.gz RBVNYHJCEGZLEF-BZUAXINKSA-N 2 1 350.507 0.990 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589219131 491757663 /nfs/dbraw/zinc/75/76/63/491757663.db2.gz BRYBOQRYNJHHQT-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000581613735 491780062 /nfs/dbraw/zinc/78/00/62/491780062.db2.gz UYLCJCLJGYUNPZ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581613735 491780064 /nfs/dbraw/zinc/78/00/64/491780064.db2.gz UYLCJCLJGYUNPZ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000581613735 491780066 /nfs/dbraw/zinc/78/00/66/491780066.db2.gz UYLCJCLJGYUNPZ-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000581839541 491787036 /nfs/dbraw/zinc/78/70/36/491787036.db2.gz LSOGUPFFAUHFSY-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[NH+]1C1CC1 ZINC000582028227 491795038 /nfs/dbraw/zinc/79/50/38/491795038.db2.gz GINCNLQPHIQTJN-YCPHGPKFSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585257 493364299 /nfs/dbraw/zinc/36/42/99/493364299.db2.gz PHEFXHWJJNDHDP-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000591406252 491804902 /nfs/dbraw/zinc/80/49/02/491804902.db2.gz FWEUYOIIOHZKPI-INIZCTEOSA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000591406253 491805115 /nfs/dbraw/zinc/80/51/15/491805115.db2.gz FWEUYOIIOHZKPI-MRXNPFEDSA-N 2 1 365.522 0.747 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000582354429 491808497 /nfs/dbraw/zinc/80/84/97/491808497.db2.gz KCRUKRDMUOGQGR-HLLBOEOZSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000582354429 491808499 /nfs/dbraw/zinc/80/84/99/491808499.db2.gz KCRUKRDMUOGQGR-HLLBOEOZSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668499216 493365077 /nfs/dbraw/zinc/36/50/77/493365077.db2.gz CJDWANCNRYWLSZ-DOTOQJQBSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)cn2)CC1 ZINC000582624690 491820357 /nfs/dbraw/zinc/82/03/57/491820357.db2.gz UYZYYSSUVNSEJK-HKUYNNGSSA-N 2 1 361.490 0.638 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000582779604 491826358 /nfs/dbraw/zinc/82/63/58/491826358.db2.gz DNJRJBAWFXYZSY-FJIDUMEYSA-N 2 1 356.470 0.492 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000583489687 491846038 /nfs/dbraw/zinc/84/60/38/491846038.db2.gz XQZLTGSCIZWPJU-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000583489687 491846039 /nfs/dbraw/zinc/84/60/39/491846039.db2.gz XQZLTGSCIZWPJU-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@]3(C1)CCC[N@@H+](C)C3)CC[NH2+]CC2 ZINC000583807773 491852352 /nfs/dbraw/zinc/85/23/52/491852352.db2.gz ZPJRUZYIWJNHEG-UZLBHIALSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000584079034 491858105 /nfs/dbraw/zinc/85/81/05/491858105.db2.gz KYEPDXOWUHIFCU-ANQUJSFKSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079034 491858106 /nfs/dbraw/zinc/85/81/06/491858106.db2.gz KYEPDXOWUHIFCU-ANQUJSFKSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079034 491858107 /nfs/dbraw/zinc/85/81/07/491858107.db2.gz KYEPDXOWUHIFCU-ANQUJSFKSA-N 2 1 350.507 0.822 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881719 491871002 /nfs/dbraw/zinc/87/10/02/491871002.db2.gz GWKYYCKEALDNJF-BRWVUGGUSA-N 2 1 357.458 0.064 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595266488 491909263 /nfs/dbraw/zinc/90/92/63/491909263.db2.gz WYSUCGSMPHZBKX-QKPAOTATSA-N 2 1 351.495 0.308 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000601408871 491914811 /nfs/dbraw/zinc/91/48/11/491914811.db2.gz VPTDOFIKMXYDFF-AWEZNQCLSA-N 2 1 351.451 0.154 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000601408871 491914814 /nfs/dbraw/zinc/91/48/14/491914814.db2.gz VPTDOFIKMXYDFF-AWEZNQCLSA-N 2 1 351.451 0.154 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000612484418 491924601 /nfs/dbraw/zinc/92/46/01/491924601.db2.gz BONKCGMLONLWEA-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541324 491931025 /nfs/dbraw/zinc/93/10/25/491931025.db2.gz DCXAVURQNPWJPK-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000612541324 491931028 /nfs/dbraw/zinc/93/10/28/491931028.db2.gz DCXAVURQNPWJPK-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000612541324 491931031 /nfs/dbraw/zinc/93/10/31/491931031.db2.gz DCXAVURQNPWJPK-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000612541324 491931033 /nfs/dbraw/zinc/93/10/33/491931033.db2.gz DCXAVURQNPWJPK-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546004 491931470 /nfs/dbraw/zinc/93/14/70/491931470.db2.gz OFHGNGSZQMRSIP-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000612546967 491932582 /nfs/dbraw/zinc/93/25/82/491932582.db2.gz XNTZTELPAHETSX-MRXNPFEDSA-N 2 1 359.474 0.639 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000612546967 491932586 /nfs/dbraw/zinc/93/25/86/491932586.db2.gz XNTZTELPAHETSX-MRXNPFEDSA-N 2 1 359.474 0.639 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000612550962 491932880 /nfs/dbraw/zinc/93/28/80/491932880.db2.gz BSWBAUBXTVGHIE-QGZVFWFLSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000612594467 491936647 /nfs/dbraw/zinc/93/66/47/491936647.db2.gz NBBNUWVDOBKJGG-DLBZAZTESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000612594467 491936650 /nfs/dbraw/zinc/93/66/50/491936650.db2.gz NBBNUWVDOBKJGG-DLBZAZTESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598865 491938012 /nfs/dbraw/zinc/93/80/12/491938012.db2.gz KQVFWKDUSARDJI-DLBZAZTESA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598865 491938013 /nfs/dbraw/zinc/93/80/13/491938013.db2.gz KQVFWKDUSARDJI-DLBZAZTESA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595909234 491960823 /nfs/dbraw/zinc/96/08/23/491960823.db2.gz QVKSFZNQBFTWCE-LBPRGKRZSA-N 2 1 362.478 0.900 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595909234 491960825 /nfs/dbraw/zinc/96/08/25/491960825.db2.gz QVKSFZNQBFTWCE-LBPRGKRZSA-N 2 1 362.478 0.900 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987494 491961222 /nfs/dbraw/zinc/96/12/22/491961222.db2.gz OBDBFYPXDALACC-OAHLLOKOSA-N 2 1 352.479 0.309 20 0 FCADMP C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602194402 491966791 /nfs/dbraw/zinc/96/67/91/491966791.db2.gz KNNNQDWLMZZUFH-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP COC(=O)c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000603844284 492043239 /nfs/dbraw/zinc/04/32/39/492043239.db2.gz JZCCMMDTNBTGQZ-QLFBSQMISA-N 2 1 350.415 0.373 20 0 FCADMP COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000603844284 492043241 /nfs/dbraw/zinc/04/32/41/492043241.db2.gz JZCCMMDTNBTGQZ-QLFBSQMISA-N 2 1 350.415 0.373 20 0 FCADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000614864558 492061398 /nfs/dbraw/zinc/06/13/98/492061398.db2.gz FDEAYPVPUQWQBQ-AWEZNQCLSA-N 2 1 360.458 0.623 20 0 FCADMP CC(C)NC(=O)CN(C)CC(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615090476 492071973 /nfs/dbraw/zinc/07/19/73/492071973.db2.gz CALRGARQFJNXHB-HNNXBMFYSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+]1CCN(CC2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC000615274033 492083734 /nfs/dbraw/zinc/08/37/34/492083734.db2.gz KBSLCRDOYSKDQE-UHFFFAOYSA-N 2 1 364.534 0.727 20 0 FCADMP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000605880671 492104765 /nfs/dbraw/zinc/10/47/65/492104765.db2.gz MIGPFXYRMVJOMU-JYJNAYRXSA-N 2 1 356.511 0.894 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000605880671 492104767 /nfs/dbraw/zinc/10/47/67/492104767.db2.gz MIGPFXYRMVJOMU-JYJNAYRXSA-N 2 1 356.511 0.894 20 0 FCADMP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000607229383 492141703 /nfs/dbraw/zinc/14/17/03/492141703.db2.gz UNTLZQDLXDUNJG-QGZVFWFLSA-N 3 1 357.543 0.478 20 0 FCADMP CC(C)C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000607229604 492141720 /nfs/dbraw/zinc/14/17/20/492141720.db2.gz PFOZNOMTPSQDBX-MRXNPFEDSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000607229441 492141864 /nfs/dbraw/zinc/14/18/64/492141864.db2.gz YQPDPUFOFMIAHZ-IAGOWNOFSA-N 2 1 357.543 0.621 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250021 492148933 /nfs/dbraw/zinc/14/89/33/492148933.db2.gz HWKHQYOEMXAURV-INIZCTEOSA-N 2 1 365.478 0.544 20 0 FCADMP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479311 492177437 /nfs/dbraw/zinc/17/74/37/492177437.db2.gz PQRHMTUHTZVREY-YLJYHZDGSA-N 2 1 360.502 0.376 20 0 FCADMP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000608479311 492177438 /nfs/dbraw/zinc/17/74/38/492177438.db2.gz PQRHMTUHTZVREY-YLJYHZDGSA-N 2 1 360.502 0.376 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC[NH+]1CCCC1 ZINC000599967012 492224222 /nfs/dbraw/zinc/22/42/22/492224222.db2.gz BYMCKPDMZUHOOR-KRWDZBQOSA-N 2 1 366.506 0.302 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659868 492233642 /nfs/dbraw/zinc/23/36/42/492233642.db2.gz GKOJIZLMEJYRQF-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600092953 492243990 /nfs/dbraw/zinc/24/39/90/492243990.db2.gz UCSRZENUJJOVGL-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600092953 492243992 /nfs/dbraw/zinc/24/39/92/492243992.db2.gz UCSRZENUJJOVGL-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000619326051 492260972 /nfs/dbraw/zinc/26/09/72/492260972.db2.gz GHQVBNAJAHGCFE-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000619326051 492260975 /nfs/dbraw/zinc/26/09/75/492260975.db2.gz GHQVBNAJAHGCFE-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000619326051 492260977 /nfs/dbraw/zinc/26/09/77/492260977.db2.gz GHQVBNAJAHGCFE-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000611304605 492285203 /nfs/dbraw/zinc/28/52/03/492285203.db2.gz JFNUUQWHHMMMHS-CABCVRRESA-N 2 1 367.490 0.977 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000620244295 492300379 /nfs/dbraw/zinc/30/03/79/492300379.db2.gz WFDSWAYGSBNHLW-UHFFFAOYSA-N 2 1 369.425 0.950 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641782698 492305754 /nfs/dbraw/zinc/30/57/54/492305754.db2.gz DWRHPJPBYXMWDT-OAHLLOKOSA-N 2 1 353.511 0.665 20 0 FCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641808942 492307230 /nfs/dbraw/zinc/30/72/30/492307230.db2.gz VCQKIPJZFNPLSU-KGLIPLIRSA-N 2 1 352.504 0.928 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1(C)C ZINC000641825372 492310409 /nfs/dbraw/zinc/31/04/09/492310409.db2.gz SQTAQPXEGIATOR-HNNXBMFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1(C)C ZINC000641825372 492310411 /nfs/dbraw/zinc/31/04/11/492310411.db2.gz SQTAQPXEGIATOR-HNNXBMFYSA-N 2 1 350.507 0.776 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647566834 492312438 /nfs/dbraw/zinc/31/24/38/492312438.db2.gz DISQNGIWVSMIAE-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647566834 492312442 /nfs/dbraw/zinc/31/24/42/492312442.db2.gz DISQNGIWVSMIAE-IRXDYDNUSA-N 2 1 366.506 0.110 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627475184 492312708 /nfs/dbraw/zinc/31/27/08/492312708.db2.gz HCXAOIGGEUTCPC-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647567202 492313705 /nfs/dbraw/zinc/31/37/05/492313705.db2.gz NRJMVGHGZZZGBQ-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567202 492313710 /nfs/dbraw/zinc/31/37/10/492313710.db2.gz NRJMVGHGZZZGBQ-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567202 492313715 /nfs/dbraw/zinc/31/37/15/492313715.db2.gz NRJMVGHGZZZGBQ-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567202 492313720 /nfs/dbraw/zinc/31/37/20/492313720.db2.gz NRJMVGHGZZZGBQ-CVEARBPZSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567279 492313884 /nfs/dbraw/zinc/31/38/84/492313884.db2.gz POLYMPAFKVQRNJ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567279 492313890 /nfs/dbraw/zinc/31/38/90/492313890.db2.gz POLYMPAFKVQRNJ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567279 492313895 /nfs/dbraw/zinc/31/38/95/492313895.db2.gz POLYMPAFKVQRNJ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482497 492314358 /nfs/dbraw/zinc/31/43/58/492314358.db2.gz PIXKUQYYJKDVFB-WOJBJXKFSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620482497 492314361 /nfs/dbraw/zinc/31/43/61/492314361.db2.gz PIXKUQYYJKDVFB-WOJBJXKFSA-N 2 1 373.497 0.945 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641832534 492314394 /nfs/dbraw/zinc/31/43/94/492314394.db2.gz STLJVWNCVYABED-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620482497 492314363 /nfs/dbraw/zinc/31/43/63/492314363.db2.gz PIXKUQYYJKDVFB-WOJBJXKFSA-N 2 1 373.497 0.945 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620482497 492314366 /nfs/dbraw/zinc/31/43/66/492314366.db2.gz PIXKUQYYJKDVFB-WOJBJXKFSA-N 2 1 373.497 0.945 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000620535929 492317264 /nfs/dbraw/zinc/31/72/64/492317264.db2.gz VKHMUBOXYPXYTI-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627502574 492325417 /nfs/dbraw/zinc/32/54/17/492325417.db2.gz BVWOFGSWFVUXIB-XLMAVXFVSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627502574 492325421 /nfs/dbraw/zinc/32/54/21/492325421.db2.gz BVWOFGSWFVUXIB-XLMAVXFVSA-N 2 1 358.486 0.974 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000634202078 492326328 /nfs/dbraw/zinc/32/63/28/492326328.db2.gz BOTFKYLMKAIYNY-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000634202078 492326331 /nfs/dbraw/zinc/32/63/31/492326331.db2.gz BOTFKYLMKAIYNY-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000634202078 492326333 /nfs/dbraw/zinc/32/63/33/492326333.db2.gz BOTFKYLMKAIYNY-ROUUACIJSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000641995896 492326866 /nfs/dbraw/zinc/32/68/66/492326866.db2.gz ZEWSTLYOTBWXNN-FGTMMUONSA-N 2 1 366.554 0.090 20 0 FCADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507443 492326939 /nfs/dbraw/zinc/32/69/39/492326939.db2.gz SVPCACGSMTURBT-BVIKNXMNSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507443 492326942 /nfs/dbraw/zinc/32/69/42/492326942.db2.gz SVPCACGSMTURBT-BVIKNXMNSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000641995897 492327042 /nfs/dbraw/zinc/32/70/42/492327042.db2.gz ZEWSTLYOTBWXNN-KSZLIROESA-N 2 1 366.554 0.090 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642083221 492332054 /nfs/dbraw/zinc/33/20/54/492332054.db2.gz CYASPOWIJFVPTL-ARFHVFGLSA-N 2 1 360.458 0.743 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654736438 492345111 /nfs/dbraw/zinc/34/51/11/492345111.db2.gz AFBLEAMRBYPNEU-ZWKOTPCHSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654736438 492345113 /nfs/dbraw/zinc/34/51/13/492345113.db2.gz AFBLEAMRBYPNEU-ZWKOTPCHSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000642262561 492346880 /nfs/dbraw/zinc/34/68/80/492346880.db2.gz BFWHTVFCBXIRDX-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642262601 492347171 /nfs/dbraw/zinc/34/71/71/492347171.db2.gz KABAKNQXPFIGGC-ZOBUZTSGSA-N 2 1 362.474 0.198 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642288133 492348419 /nfs/dbraw/zinc/34/84/19/492348419.db2.gz CDCSBIKISJOVOG-INIZCTEOSA-N 2 1 350.507 0.827 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330392 492351657 /nfs/dbraw/zinc/35/16/57/492351657.db2.gz DDYPIASYIDIATP-QKPAOTATSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642330445 492352140 /nfs/dbraw/zinc/35/21/40/492352140.db2.gz KIEYYADTZMATMP-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000642351466 492353925 /nfs/dbraw/zinc/35/39/25/492353925.db2.gz ZRYOINSORCGVON-MRXNPFEDSA-N 2 1 374.489 0.437 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105065 492356646 /nfs/dbraw/zinc/35/66/46/492356646.db2.gz KPKLTDKCSJQXFQ-IRXDYDNUSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@@H](C)O1 ZINC000642394721 492356813 /nfs/dbraw/zinc/35/68/13/492356813.db2.gz GLTLIWDHGASANO-LJIZCISZSA-N 2 1 366.506 0.186 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000642394749 492357056 /nfs/dbraw/zinc/35/70/56/492357056.db2.gz MOKYZXLISODPSU-CAOSSQGBSA-N 2 1 368.522 0.576 20 0 FCADMP CS(=O)(=O)N1CC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634711207 492362841 /nfs/dbraw/zinc/36/28/41/492362841.db2.gz LLBWJRVONFQMEP-KRWDZBQOSA-N 2 1 353.488 0.104 20 0 FCADMP CS(=O)(=O)N1CC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634711207 492362847 /nfs/dbraw/zinc/36/28/47/492362847.db2.gz LLBWJRVONFQMEP-KRWDZBQOSA-N 2 1 353.488 0.104 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835439 492368748 /nfs/dbraw/zinc/36/87/48/492368748.db2.gz YUPWKIHMNLARDY-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835439 492368751 /nfs/dbraw/zinc/36/87/51/492368751.db2.gz YUPWKIHMNLARDY-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CCN1CC[NH2+]CC1 ZINC000647835881 492369930 /nfs/dbraw/zinc/36/99/30/492369930.db2.gz STTPSBKEEFLWRH-UHFFFAOYSA-N 2 1 367.881 0.605 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645859 492370098 /nfs/dbraw/zinc/37/00/98/492370098.db2.gz CFPMLRSNHJKKLN-RTBURBONSA-N 2 1 372.513 0.926 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000642685010 492372721 /nfs/dbraw/zinc/37/27/21/492372721.db2.gz HFNIHGVUMBMLPL-KFWWJZLASA-N 2 1 362.474 0.375 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693376 492374645 /nfs/dbraw/zinc/37/46/45/492374645.db2.gz VVLJUWRHGVXVGB-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000642693376 492374647 /nfs/dbraw/zinc/37/46/47/492374647.db2.gz VVLJUWRHGVXVGB-DZGCQCFKSA-N 2 1 364.515 0.869 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@H]1CCC[NH2+]1 ZINC000647905667 492380616 /nfs/dbraw/zinc/38/06/16/492380616.db2.gz LLPAOFIXBGDPKV-ZJPYXAASSA-N 2 1 350.507 0.430 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729523 492381551 /nfs/dbraw/zinc/38/15/51/492381551.db2.gz TUQGTVZXWRDAHP-HYVNUMGLSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729523 492381553 /nfs/dbraw/zinc/38/15/53/492381553.db2.gz TUQGTVZXWRDAHP-HYVNUMGLSA-N 2 1 362.474 0.246 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642732656 492383195 /nfs/dbraw/zinc/38/31/95/492383195.db2.gz HZRGEPVIIIZOEF-QKPAOTATSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754797 492386523 /nfs/dbraw/zinc/38/65/23/492386523.db2.gz QJPRANWYMIDBPX-MRXNPFEDSA-N 2 1 373.501 0.182 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000642778699 492388921 /nfs/dbraw/zinc/38/89/21/492388921.db2.gz DEBMXSPCGRARMX-HZPDHXFCSA-N 2 1 359.474 0.993 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975909 492389619 /nfs/dbraw/zinc/38/96/19/492389619.db2.gz HNFKQVNCVBWULR-CGTJXYLNSA-N 2 1 350.507 0.777 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975910 492389634 /nfs/dbraw/zinc/38/96/34/492389634.db2.gz HNFKQVNCVBWULR-JQHSSLGASA-N 2 1 350.507 0.777 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647978420 492390697 /nfs/dbraw/zinc/39/06/97/492390697.db2.gz ROOOSUHJWLVWQC-FGTMMUONSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000647988389 492391219 /nfs/dbraw/zinc/39/12/19/492391219.db2.gz CUFNLPRVMCPNRL-CYBMUJFWSA-N 2 1 354.476 0.149 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642798886 492394788 /nfs/dbraw/zinc/39/47/88/492394788.db2.gz HSYPAGYBKXROSQ-ATLSCFEFSA-N 2 1 374.485 0.340 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642893339 492397384 /nfs/dbraw/zinc/39/73/84/492397384.db2.gz HUKOEJGCXXRYTM-GOSISDBHSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896484 492398489 /nfs/dbraw/zinc/39/84/89/492398489.db2.gz POTJQTFNWVXXJL-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000642903073 492400194 /nfs/dbraw/zinc/40/01/94/492400194.db2.gz BDHIPERIDLGUQE-HNNXBMFYSA-N 2 1 364.515 0.693 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903226 492400272 /nfs/dbraw/zinc/40/02/72/492400272.db2.gz FKVQRIOMLQUVBM-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000642918745 492403723 /nfs/dbraw/zinc/40/37/23/492403723.db2.gz ACDUKLTUCSOWQN-UHFFFAOYSA-N 2 1 350.488 0.303 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000648130325 492404816 /nfs/dbraw/zinc/40/48/16/492404816.db2.gz ZDCVRFVYBKCUER-SJORKVTESA-N 2 1 366.506 0.287 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642993885 492412933 /nfs/dbraw/zinc/41/29/33/492412933.db2.gz QQRAAYFRESPBJV-AWEZNQCLSA-N 2 1 354.401 0.430 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642993885 492412938 /nfs/dbraw/zinc/41/29/38/492412938.db2.gz QQRAAYFRESPBJV-AWEZNQCLSA-N 2 1 354.401 0.430 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643007698 492413776 /nfs/dbraw/zinc/41/37/76/492413776.db2.gz XSLLWAZJXNNZGS-KZNAEPCWSA-N 2 1 358.486 0.963 20 0 FCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000627982747 492434351 /nfs/dbraw/zinc/43/43/51/492434351.db2.gz YNGWBDVSFXNRQD-QGZVFWFLSA-N 2 1 362.474 0.650 20 0 FCADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000622024744 492441958 /nfs/dbraw/zinc/44/19/58/492441958.db2.gz AWBIHSOBJLVYCU-WIYYLYMNSA-N 2 1 370.497 0.713 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000643419289 492454044 /nfs/dbraw/zinc/45/40/44/492454044.db2.gz HQOBHRJDUVRURX-INIZCTEOSA-N 2 1 359.474 0.578 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000635483718 492457289 /nfs/dbraw/zinc/45/72/89/492457289.db2.gz BSCSGNUTGKSTDH-HNNXBMFYSA-N 2 1 354.495 0.048 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000648819969 492461064 /nfs/dbraw/zinc/46/10/64/492461064.db2.gz JRXBPWQLZCLSNE-QBPKDAKJSA-N 2 1 352.523 0.974 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528232 492464027 /nfs/dbraw/zinc/46/40/27/492464027.db2.gz PMLAGRUEALWXEO-FUHWJXTLSA-N 2 1 369.473 0.968 20 0 FCADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](O)C3)ccc21 ZINC000628106125 492468146 /nfs/dbraw/zinc/46/81/46/492468146.db2.gz XULKCJAGJLMQRN-RDJZCZTQSA-N 2 1 360.458 0.357 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635547612 492468606 /nfs/dbraw/zinc/46/86/06/492468606.db2.gz HXIOFFBCVGUZEI-OAHLLOKOSA-N 2 1 374.489 0.279 20 0 FCADMP O=C(N1CCC([NH+]2CCOCC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000628125897 492471882 /nfs/dbraw/zinc/47/18/82/492471882.db2.gz SNVZUTWGURRLHQ-OAQYLSRUSA-N 2 1 373.497 0.947 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000635572748 492474991 /nfs/dbraw/zinc/47/49/91/492474991.db2.gz OLUVTDLPAQJVLK-HXUWFJFHSA-N 2 1 374.529 0.684 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000635572748 492474993 /nfs/dbraw/zinc/47/49/93/492474993.db2.gz OLUVTDLPAQJVLK-HXUWFJFHSA-N 2 1 374.529 0.684 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000635572748 492474994 /nfs/dbraw/zinc/47/49/94/492474994.db2.gz OLUVTDLPAQJVLK-HXUWFJFHSA-N 2 1 374.529 0.684 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000635572748 492474996 /nfs/dbraw/zinc/47/49/96/492474996.db2.gz OLUVTDLPAQJVLK-HXUWFJFHSA-N 2 1 374.529 0.684 20 0 FCADMP NS(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655686453 492475932 /nfs/dbraw/zinc/47/59/32/492475932.db2.gz HPORCCRFMVMFSV-MRXNPFEDSA-N 2 1 353.488 0.719 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643489776 492479964 /nfs/dbraw/zinc/47/99/64/492479964.db2.gz LDEYEXAXCFJALZ-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000643492458 492480464 /nfs/dbraw/zinc/48/04/64/492480464.db2.gz WKIMMILZLRUNDU-HOTGVXAUSA-N 2 1 359.474 0.624 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000643503516 492483805 /nfs/dbraw/zinc/48/38/05/492483805.db2.gz LNUYVVJIFPJITO-ZBFHGGJFSA-N 2 1 352.479 0.038 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000643513307 492486323 /nfs/dbraw/zinc/48/63/23/492486323.db2.gz QLZITAAXTGOLQY-HRCADAONSA-N 2 1 359.474 0.677 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643527868 492491225 /nfs/dbraw/zinc/49/12/25/492491225.db2.gz UJFDHTHALMTLQU-RDJZCZTQSA-N 2 1 372.469 0.970 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643531925 492492299 /nfs/dbraw/zinc/49/22/99/492492299.db2.gz WYUWGYRYSXGOBH-OTWHNJEPSA-N 2 1 370.497 0.930 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000643539752 492493650 /nfs/dbraw/zinc/49/36/50/492493650.db2.gz BYWNOFAYADEUDD-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643539524 492494028 /nfs/dbraw/zinc/49/40/28/492494028.db2.gz TVPRLSHUQRJLFE-HOTGVXAUSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[C@@H]2C1 ZINC000643550005 492497864 /nfs/dbraw/zinc/49/78/64/492497864.db2.gz QOCYEYDYTVLERY-ZJPYXAASSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000643549861 492498094 /nfs/dbraw/zinc/49/80/94/492498094.db2.gz WWCSBHYTVAZUOU-ABFRBSLYSA-N 2 1 364.490 0.036 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643585614 492500846 /nfs/dbraw/zinc/50/08/46/492500846.db2.gz HWKBYDJOBYQRPK-GUDVDZBRSA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643585614 492500849 /nfs/dbraw/zinc/50/08/49/492500849.db2.gz HWKBYDJOBYQRPK-GUDVDZBRSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000643594271 492503567 /nfs/dbraw/zinc/50/35/67/492503567.db2.gz XLUWQXLQONKZFC-TVFCKZIOSA-N 2 1 362.518 0.920 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000643594024 492503595 /nfs/dbraw/zinc/50/35/95/492503595.db2.gz YDLFLWLGUPENTI-MSOLQXFVSA-N 2 1 370.497 0.930 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000643594024 492503597 /nfs/dbraw/zinc/50/35/97/492503597.db2.gz YDLFLWLGUPENTI-MSOLQXFVSA-N 2 1 370.497 0.930 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643594551 492503644 /nfs/dbraw/zinc/50/36/44/492503644.db2.gz PLMWLNKAWYCPLC-HOTGVXAUSA-N 2 1 350.507 0.776 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643594550 492503760 /nfs/dbraw/zinc/50/37/60/492503760.db2.gz PLMWLNKAWYCPLC-CVEARBPZSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](CCc2cccs2)CC1 ZINC000649296483 492525127 /nfs/dbraw/zinc/52/51/27/492525127.db2.gz IVVDDIDWYLOVMJ-CQSZACIVSA-N 2 1 360.487 0.875 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649304219 492527913 /nfs/dbraw/zinc/52/79/13/492527913.db2.gz QLEZKMAQNQVDDL-MRXNPFEDSA-N 2 1 360.458 0.178 20 0 FCADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000649310615 492528850 /nfs/dbraw/zinc/52/88/50/492528850.db2.gz ZAEHJQCECGCGRG-HNNXBMFYSA-N 2 1 359.536 0.924 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000649310615 492528853 /nfs/dbraw/zinc/52/88/53/492528853.db2.gz ZAEHJQCECGCGRG-HNNXBMFYSA-N 2 1 359.536 0.924 20 0 FCADMP Cc1cc(N2CCC(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)nc(C)[nH+]1 ZINC000649345592 492540993 /nfs/dbraw/zinc/54/09/93/492540993.db2.gz GKIYSAGTRVYMNV-OAHLLOKOSA-N 2 1 370.461 0.618 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000649409736 492551010 /nfs/dbraw/zinc/55/10/10/492551010.db2.gz PIUMLQPYRUCJGU-UHFFFAOYSA-N 2 1 365.547 0.229 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000649409736 492551014 /nfs/dbraw/zinc/55/10/14/492551014.db2.gz PIUMLQPYRUCJGU-UHFFFAOYSA-N 2 1 365.547 0.229 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000649409778 492551084 /nfs/dbraw/zinc/55/10/84/492551084.db2.gz XLHYSVZHXYENBI-UHFFFAOYSA-N 2 1 363.481 0.311 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000649409778 492551088 /nfs/dbraw/zinc/55/10/88/492551088.db2.gz XLHYSVZHXYENBI-UHFFFAOYSA-N 2 1 363.481 0.311 20 0 FCADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000649409755 492551515 /nfs/dbraw/zinc/55/15/15/492551515.db2.gz SXTWRHLWRBRORB-UHFFFAOYSA-N 2 1 363.481 0.311 20 0 FCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000649409755 492551518 /nfs/dbraw/zinc/55/15/18/492551518.db2.gz SXTWRHLWRBRORB-UHFFFAOYSA-N 2 1 363.481 0.311 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000649473995 492557093 /nfs/dbraw/zinc/55/70/93/492557093.db2.gz ZUBKQEIXJHFCJQ-BBWFWOEESA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000649473995 492557098 /nfs/dbraw/zinc/55/70/98/492557098.db2.gz ZUBKQEIXJHFCJQ-BBWFWOEESA-N 2 1 368.522 0.329 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000649473995 492557100 /nfs/dbraw/zinc/55/71/00/492557100.db2.gz ZUBKQEIXJHFCJQ-BBWFWOEESA-N 2 1 368.522 0.329 20 0 FCADMP O=C(C[NH2+]C1CCN([C@@H]2CCOC2)CC1)NCC[NH+]1CCCCCC1 ZINC000656259576 492566332 /nfs/dbraw/zinc/56/63/32/492566332.db2.gz ANCLBFTXIQLJLC-GOSISDBHSA-N 2 1 352.523 0.822 20 0 FCADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571910 492568698 /nfs/dbraw/zinc/56/86/98/492568698.db2.gz LMABFHBKMQVEPY-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571910 492568701 /nfs/dbraw/zinc/56/87/01/492568701.db2.gz LMABFHBKMQVEPY-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000623571910 492568703 /nfs/dbraw/zinc/56/87/03/492568703.db2.gz LMABFHBKMQVEPY-JKSUJKDBSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656301130 492578722 /nfs/dbraw/zinc/57/87/22/492578722.db2.gz HVDMFLSMHMDBOW-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CCC(CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000636522786 492608875 /nfs/dbraw/zinc/60/88/75/492608875.db2.gz NGMFGSKOJZKQJM-IRXDYDNUSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656355408 492610305 /nfs/dbraw/zinc/61/03/05/492610305.db2.gz KSSCCSLICIZEHL-QZWWFDLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656355408 492610310 /nfs/dbraw/zinc/61/03/10/492610310.db2.gz KSSCCSLICIZEHL-QZWWFDLISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656355408 492610313 /nfs/dbraw/zinc/61/03/13/492610313.db2.gz KSSCCSLICIZEHL-QZWWFDLISA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357858 492611975 /nfs/dbraw/zinc/61/19/75/492611975.db2.gz HHYYHMDMDJZIJY-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656357858 492611977 /nfs/dbraw/zinc/61/19/77/492611977.db2.gz HHYYHMDMDJZIJY-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656357858 492611979 /nfs/dbraw/zinc/61/19/79/492611979.db2.gz HHYYHMDMDJZIJY-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656357577 492612154 /nfs/dbraw/zinc/61/21/54/492612154.db2.gz ZMLLTTGCJXWWCG-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656357577 492612157 /nfs/dbraw/zinc/61/21/57/492612157.db2.gz ZMLLTTGCJXWWCG-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656357577 492612160 /nfs/dbraw/zinc/61/21/60/492612160.db2.gz ZMLLTTGCJXWWCG-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP c1nnc2ccc(N3CC[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)C3)nn12 ZINC000624117745 492621766 /nfs/dbraw/zinc/62/17/66/492621766.db2.gz VTENEGLDBWFFSF-IRXDYDNUSA-N 2 1 371.489 0.936 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636587933 492630748 /nfs/dbraw/zinc/63/07/48/492630748.db2.gz PQWWXTDOZULIDQ-OAHLLOKOSA-N 2 1 356.536 0.714 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071127 492644569 /nfs/dbraw/zinc/64/45/69/492644569.db2.gz WUDSOVOVJFJFDK-ZRNYENFQSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071127 492644570 /nfs/dbraw/zinc/64/45/70/492644570.db2.gz WUDSOVOVJFJFDK-ZRNYENFQSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000644071127 492644572 /nfs/dbraw/zinc/64/45/72/492644572.db2.gz WUDSOVOVJFJFDK-ZRNYENFQSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000644071127 492644574 /nfs/dbraw/zinc/64/45/74/492644574.db2.gz WUDSOVOVJFJFDK-ZRNYENFQSA-N 2 1 373.497 0.991 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000636632967 492645105 /nfs/dbraw/zinc/64/51/05/492645105.db2.gz HQNQYYNCDZLFCI-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636632967 492645108 /nfs/dbraw/zinc/64/51/08/492645108.db2.gz HQNQYYNCDZLFCI-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000636632967 492645112 /nfs/dbraw/zinc/64/51/12/492645112.db2.gz HQNQYYNCDZLFCI-JYJNAYRXSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1nccn1C ZINC000636668686 492654922 /nfs/dbraw/zinc/65/49/22/492654922.db2.gz PLZSUIBKSAORCY-RDJZCZTQSA-N 2 1 369.469 0.921 20 0 FCADMP Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578366 492655724 /nfs/dbraw/zinc/65/57/24/492655724.db2.gz BBRUSDLDVKILAH-UHFFFAOYSA-N 2 1 356.854 0.610 20 0 FCADMP Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578366 492655726 /nfs/dbraw/zinc/65/57/26/492655726.db2.gz BBRUSDLDVKILAH-UHFFFAOYSA-N 2 1 356.854 0.610 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629815304 492686279 /nfs/dbraw/zinc/68/62/79/492686279.db2.gz NSDWAUAITPZSDH-JQHSSLGASA-N 2 1 362.518 0.918 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000651261389 492729905 /nfs/dbraw/zinc/72/99/05/492729905.db2.gz CTUICLCMUQMLLA-KURKYZTESA-N 2 1 353.507 0.960 20 0 FCADMP Cc1ccccc1CNC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630612428 492755540 /nfs/dbraw/zinc/75/55/40/492755540.db2.gz NEKCGEDPXYSMCK-UHFFFAOYSA-N 2 1 356.474 0.869 20 0 FCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000630796081 492775908 /nfs/dbraw/zinc/77/59/08/492775908.db2.gz LDQXATYRVHOFIR-BRSBDYLESA-N 2 1 364.534 0.929 20 0 FCADMP CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644515333 492780108 /nfs/dbraw/zinc/78/01/08/492780108.db2.gz JBCJOUWNIVELTF-SFHVURJKSA-N 2 1 369.531 0.883 20 0 FCADMP CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644515333 492780109 /nfs/dbraw/zinc/78/01/09/492780109.db2.gz JBCJOUWNIVELTF-SFHVURJKSA-N 2 1 369.531 0.883 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644558407 492784405 /nfs/dbraw/zinc/78/44/05/492784405.db2.gz SKKOOKOZYLFMAD-IBGZPJMESA-N 2 1 362.518 0.622 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644558407 492784409 /nfs/dbraw/zinc/78/44/09/492784409.db2.gz SKKOOKOZYLFMAD-IBGZPJMESA-N 2 1 362.518 0.622 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000644648635 492795908 /nfs/dbraw/zinc/79/59/08/492795908.db2.gz UKSRJSMNEFWVCQ-SOLBZPMBSA-N 2 1 366.506 0.582 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000644648635 492795913 /nfs/dbraw/zinc/79/59/13/492795913.db2.gz UKSRJSMNEFWVCQ-SOLBZPMBSA-N 2 1 366.506 0.582 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000644648634 492796207 /nfs/dbraw/zinc/79/62/07/492796207.db2.gz UKSRJSMNEFWVCQ-NUJGCVRESA-N 2 1 366.506 0.582 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631275465 492808203 /nfs/dbraw/zinc/80/82/03/492808203.db2.gz FGRYDGGCVRFUSY-INIZCTEOSA-N 2 1 350.511 0.448 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000631283167 492809142 /nfs/dbraw/zinc/80/91/42/492809142.db2.gz AUQNLYDENNXUDT-UHFFFAOYSA-N 2 1 350.511 0.448 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637375593 492814774 /nfs/dbraw/zinc/81/47/74/492814774.db2.gz NRQQHTXAESPBIK-INIZCTEOSA-N 2 1 353.511 0.844 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000637376195 492816030 /nfs/dbraw/zinc/81/60/30/492816030.db2.gz FGQXNZOGMYQICV-SJORKVTESA-N 2 1 365.522 0.986 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637377042 492816225 /nfs/dbraw/zinc/81/62/25/492816225.db2.gz UCBQSQUOEAIYIO-SJORKVTESA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637377042 492816227 /nfs/dbraw/zinc/81/62/27/492816227.db2.gz UCBQSQUOEAIYIO-SJORKVTESA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637377042 492816230 /nfs/dbraw/zinc/81/62/30/492816230.db2.gz UCBQSQUOEAIYIO-SJORKVTESA-N 2 1 365.522 0.700 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377217 492816431 /nfs/dbraw/zinc/81/64/31/492816431.db2.gz XDVKFOBZXKECTQ-CVEARBPZSA-N 2 1 353.511 0.842 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637377217 492816436 /nfs/dbraw/zinc/81/64/36/492816436.db2.gz XDVKFOBZXKECTQ-CVEARBPZSA-N 2 1 353.511 0.842 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637377217 492816437 /nfs/dbraw/zinc/81/64/37/492816437.db2.gz XDVKFOBZXKECTQ-CVEARBPZSA-N 2 1 353.511 0.842 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000637389517 492817942 /nfs/dbraw/zinc/81/79/42/492817942.db2.gz IXVOSUUDTAXRDM-NJAFHUGGSA-N 2 1 362.474 0.586 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000637389517 492817946 /nfs/dbraw/zinc/81/79/46/492817946.db2.gz IXVOSUUDTAXRDM-NJAFHUGGSA-N 2 1 362.474 0.586 20 0 FCADMP O=C(CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000644895088 492820858 /nfs/dbraw/zinc/82/08/58/492820858.db2.gz HLKUBKLHDSZNEF-QGZVFWFLSA-N 2 1 365.522 0.762 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631677429 492834031 /nfs/dbraw/zinc/83/40/31/492834031.db2.gz ZTKIUURCHUTHFJ-KRWDZBQOSA-N 2 1 360.568 0.808 20 0 FCADMP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000631742968 492846300 /nfs/dbraw/zinc/84/63/00/492846300.db2.gz JQNLXFMQPULYAP-SJORKVTESA-N 2 1 360.568 0.806 20 0 FCADMP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000631742965 492846520 /nfs/dbraw/zinc/84/65/20/492846520.db2.gz JQNLXFMQPULYAP-DLBZAZTESA-N 2 1 360.568 0.806 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000658261320 492856867 /nfs/dbraw/zinc/85/68/67/492856867.db2.gz LABUNCVACIQXPU-CYBMUJFWSA-N 2 1 350.467 0.372 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000645063893 492857165 /nfs/dbraw/zinc/85/71/65/492857165.db2.gz JEJYEDWMDRCIBI-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000645063893 492857168 /nfs/dbraw/zinc/85/71/68/492857168.db2.gz JEJYEDWMDRCIBI-INIZCTEOSA-N 2 1 366.506 0.156 20 0 FCADMP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830214 492858803 /nfs/dbraw/zinc/85/88/03/492858803.db2.gz MMHNHONSLNUFTE-CABCVRRESA-N 2 1 356.478 0.778 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)nn1 ZINC000631846480 492861359 /nfs/dbraw/zinc/86/13/59/492861359.db2.gz CPEPPSMESLPARH-WCQYABFASA-N 2 1 360.384 0.785 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)nn1 ZINC000631846480 492861360 /nfs/dbraw/zinc/86/13/60/492861360.db2.gz CPEPPSMESLPARH-WCQYABFASA-N 2 1 360.384 0.785 20 0 FCADMP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846556 492861393 /nfs/dbraw/zinc/86/13/93/492861393.db2.gz DMMUGASCQDZFAW-QGZVFWFLSA-N 2 1 358.446 0.446 20 0 FCADMP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846556 492861395 /nfs/dbraw/zinc/86/13/95/492861395.db2.gz DMMUGASCQDZFAW-QGZVFWFLSA-N 2 1 358.446 0.446 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000637951826 492883756 /nfs/dbraw/zinc/88/37/56/492883756.db2.gz GYVBJKVBOMLZKR-UHFFFAOYSA-N 2 1 352.401 0.005 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278350 492888130 /nfs/dbraw/zinc/88/81/30/492888130.db2.gz DTDCHMZIVBDKGW-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@H]1C[NH+](CCCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631926853 492888283 /nfs/dbraw/zinc/88/82/83/492888283.db2.gz KBHDNKQQOMNZDL-GJZGRUSLSA-N 2 1 362.540 0.394 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000652171684 492890583 /nfs/dbraw/zinc/89/05/83/492890583.db2.gz SIXWUKAAGYUALD-WOYTXXSLSA-N 2 1 354.495 0.633 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000652171684 492890585 /nfs/dbraw/zinc/89/05/85/492890585.db2.gz SIXWUKAAGYUALD-WOYTXXSLSA-N 2 1 354.495 0.633 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631962657 492898890 /nfs/dbraw/zinc/89/88/90/492898890.db2.gz MXMHAFYCEDOGDU-KRWDZBQOSA-N 2 1 360.568 0.808 20 0 FCADMP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(F)c1 ZINC000652268580 492902880 /nfs/dbraw/zinc/90/28/80/492902880.db2.gz CYNWLCIJGOIKQE-OAHLLOKOSA-N 2 1 363.437 0.390 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000638123193 492910706 /nfs/dbraw/zinc/91/07/06/492910706.db2.gz PPQLALADRUACFT-SFHVURJKSA-N 2 1 373.501 0.697 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638138228 492916839 /nfs/dbraw/zinc/91/68/39/492916839.db2.gz YHLXEPCNBSQRSC-VQIMIIECSA-N 2 1 362.518 0.955 20 0 FCADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140134 492917002 /nfs/dbraw/zinc/91/70/02/492917002.db2.gz VNSKBBHOKVLLKT-HKUYNNGSSA-N 2 1 360.502 0.803 20 0 FCADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000626064029 492925383 /nfs/dbraw/zinc/92/53/83/492925383.db2.gz ZMSTUMPOPGKUPG-UHFFFAOYSA-N 2 1 355.446 0.914 20 0 FCADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000626064029 492925387 /nfs/dbraw/zinc/92/53/87/492925387.db2.gz ZMSTUMPOPGKUPG-UHFFFAOYSA-N 2 1 355.446 0.914 20 0 FCADMP CC[NH2+][C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000638274146 492926747 /nfs/dbraw/zinc/92/67/47/492926747.db2.gz OVLRMYFNNSUSHE-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000638753220 492975540 /nfs/dbraw/zinc/97/55/40/492975540.db2.gz SJEMPXUXNJKBOM-KBXCAEBGSA-N 2 1 354.458 0.876 20 0 FCADMP C[C@@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000638753220 492975545 /nfs/dbraw/zinc/97/55/45/492975545.db2.gz SJEMPXUXNJKBOM-KBXCAEBGSA-N 2 1 354.458 0.876 20 0 FCADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638804856 492980680 /nfs/dbraw/zinc/98/06/80/492980680.db2.gz YEWVTDWWYHXSSY-MSOLQXFVSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000632371089 492985784 /nfs/dbraw/zinc/98/57/84/492985784.db2.gz UNSDBKCNVALAIY-KRWDZBQOSA-N 2 1 358.552 0.371 20 0 FCADMP C[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638905397 492985891 /nfs/dbraw/zinc/98/58/91/492985891.db2.gz OLHWJCBTKGNXSI-KBXCAEBGSA-N 2 1 354.458 0.957 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)C1 ZINC000652677316 492986795 /nfs/dbraw/zinc/98/67/95/492986795.db2.gz XRPQTSHSPZDFDY-HWMZRRJGSA-N 2 1 364.490 0.084 20 0 FCADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925715 492988414 /nfs/dbraw/zinc/98/84/14/492988414.db2.gz MGKFIQAKLVJZHV-GJZGRUSLSA-N 2 1 361.490 0.819 20 0 FCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925716 492988683 /nfs/dbraw/zinc/98/86/83/492988683.db2.gz MGKFIQAKLVJZHV-HUUCEWRRSA-N 2 1 361.490 0.819 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684573 492989813 /nfs/dbraw/zinc/98/98/13/492989813.db2.gz ROWUBUHKKYARPG-MWDXBVQZSA-N 2 1 368.522 0.578 20 0 FCADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)C1(n2cccn2)CC[NH2+]CC1 ZINC000638984917 492990368 /nfs/dbraw/zinc/99/03/68/492990368.db2.gz VBVCPDIUKDDCEH-UHFFFAOYSA-N 2 1 355.446 0.405 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)[N@@H+](C)C1CC1 ZINC000652686264 492990724 /nfs/dbraw/zinc/99/07/24/492990724.db2.gz CNNULBDTUBYOBB-WBTNSWJXSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000652697534 492993087 /nfs/dbraw/zinc/99/30/87/492993087.db2.gz HIYPQINQQFIPPA-HRCADAONSA-N 2 1 358.486 0.832 20 0 FCADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000652697534 492993091 /nfs/dbraw/zinc/99/30/91/492993091.db2.gz HIYPQINQQFIPPA-HRCADAONSA-N 2 1 358.486 0.832 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000652708517 492996390 /nfs/dbraw/zinc/99/63/90/492996390.db2.gz VUPDZQIOJUMASD-KRWDZBQOSA-N 2 1 368.522 0.724 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646009640 493000778 /nfs/dbraw/zinc/00/07/78/493000778.db2.gz YXZYSDHFSVKTOT-HXUWFJFHSA-N 2 1 372.513 0.511 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C[C@H](C)[N@H+]1C ZINC000652734764 493011483 /nfs/dbraw/zinc/01/14/83/493011483.db2.gz VHTDCFYIKYVOGZ-BQJWPVKWSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C[C@H](C)[N@@H+]1C ZINC000652734764 493011487 /nfs/dbraw/zinc/01/14/87/493011487.db2.gz VHTDCFYIKYVOGZ-BQJWPVKWSA-N 2 1 366.506 0.282 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737093 493013663 /nfs/dbraw/zinc/01/36/63/493013663.db2.gz ZAGKTDUTECUUIZ-ZWKOTPCHSA-N 2 1 358.486 0.440 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652737093 493013664 /nfs/dbraw/zinc/01/36/64/493013664.db2.gz ZAGKTDUTECUUIZ-ZWKOTPCHSA-N 2 1 358.486 0.440 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681724 493031426 /nfs/dbraw/zinc/03/14/26/493031426.db2.gz CZMMOGSUQZAECL-OAHLLOKOSA-N 2 1 359.474 0.706 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681723 493031538 /nfs/dbraw/zinc/03/15/38/493031538.db2.gz CZMMOGSUQZAECL-HNNXBMFYSA-N 2 1 359.474 0.706 20 0 FCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cc2)C1 ZINC000626880092 493045811 /nfs/dbraw/zinc/04/58/11/493045811.db2.gz ZUMKWKRKKQLXNP-QAPCUYQASA-N 2 1 374.485 0.962 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850575 493055908 /nfs/dbraw/zinc/05/59/08/493055908.db2.gz VZOBPCIXJODNAY-LWYYNNOASA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccccc1C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850575 493055913 /nfs/dbraw/zinc/05/59/13/493055913.db2.gz VZOBPCIXJODNAY-LWYYNNOASA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850575 493055917 /nfs/dbraw/zinc/05/59/17/493055917.db2.gz VZOBPCIXJODNAY-LWYYNNOASA-N 2 1 364.486 0.322 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653108245 493071822 /nfs/dbraw/zinc/07/18/22/493071822.db2.gz OVAZRZOXYLVCSW-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653108245 493071827 /nfs/dbraw/zinc/07/18/27/493071827.db2.gz OVAZRZOXYLVCSW-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000653117592 493073718 /nfs/dbraw/zinc/07/37/18/493073718.db2.gz QMSZGYXUZRCXFL-QGZVFWFLSA-N 2 1 350.507 0.779 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CCOCC[NH3+] ZINC000626986121 493075880 /nfs/dbraw/zinc/07/58/80/493075880.db2.gz PNSFGEXJDYUNDS-QGZVFWFLSA-N 2 1 363.506 0.814 20 0 FCADMP C[N@@H+]1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)[C@@H](Cc2ccccc2)C1 ZINC000653254036 493086450 /nfs/dbraw/zinc/08/64/50/493086450.db2.gz GQBWBUXSKDKTAS-ZWKOTPCHSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)[C@@H](Cc2ccccc2)C1 ZINC000653254036 493086456 /nfs/dbraw/zinc/08/64/56/493086456.db2.gz GQBWBUXSKDKTAS-ZWKOTPCHSA-N 2 1 358.486 0.712 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627187833 493104351 /nfs/dbraw/zinc/10/43/51/493104351.db2.gz ZUUDQXRDAJSWBD-QGZVFWFLSA-N 2 1 356.511 0.755 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627187832 493104546 /nfs/dbraw/zinc/10/45/46/493104546.db2.gz ZUUDQXRDAJSWBD-KRWDZBQOSA-N 2 1 356.511 0.755 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H](C)O1 ZINC000633028395 493105813 /nfs/dbraw/zinc/10/58/13/493105813.db2.gz IUDHLWGTSHSSDL-JHNDHUHGSA-N 2 1 372.469 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@@H+]1CCO ZINC000640443536 493106731 /nfs/dbraw/zinc/10/67/31/493106731.db2.gz OFJPOAWBUFBTNP-CQSZACIVSA-N 2 1 350.467 0.680 20 0 FCADMP C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@H+]1CCO ZINC000640443536 493106738 /nfs/dbraw/zinc/10/67/38/493106738.db2.gz OFJPOAWBUFBTNP-CQSZACIVSA-N 2 1 350.467 0.680 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)CC2)c1 ZINC000627230405 493111510 /nfs/dbraw/zinc/11/15/10/493111510.db2.gz IFNIQSIYIXLALC-MRXNPFEDSA-N 2 1 370.461 0.548 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259099 493120834 /nfs/dbraw/zinc/12/08/34/493120834.db2.gz MZCGTTNWSHNCGR-SJORKVTESA-N 2 1 351.491 0.689 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000658990320 493121730 /nfs/dbraw/zinc/12/17/30/493121730.db2.gz ZBQQAENUUOEXPD-ZDUSSCGKSA-N 2 1 363.462 0.812 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000659027297 493127215 /nfs/dbraw/zinc/12/72/15/493127215.db2.gz JQZHYXISUADNEF-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000659027297 493127217 /nfs/dbraw/zinc/12/72/17/493127217.db2.gz JQZHYXISUADNEF-KRWDZBQOSA-N 2 1 366.506 0.110 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106577 493129178 /nfs/dbraw/zinc/12/91/78/493129178.db2.gz VLZPFKRIYFZZPZ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106577 493129182 /nfs/dbraw/zinc/12/91/82/493129182.db2.gz VLZPFKRIYFZZPZ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106577 493129185 /nfs/dbraw/zinc/12/91/85/493129185.db2.gz VLZPFKRIYFZZPZ-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633150498 493136558 /nfs/dbraw/zinc/13/65/58/493136558.db2.gz YTQFPXRSLYRYPV-DOTOQJQBSA-N 2 1 368.522 0.532 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149923 493136624 /nfs/dbraw/zinc/13/66/24/493136624.db2.gz XOEGJBDZYMQSAI-BGTYHANMSA-N 2 1 356.470 0.525 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149926 493136910 /nfs/dbraw/zinc/13/69/10/493136910.db2.gz XOEGJBDZYMQSAI-OWLYRPNTSA-N 2 1 356.470 0.525 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000640868213 493141149 /nfs/dbraw/zinc/14/11/49/493141149.db2.gz ZXMOSCMJDPRXJD-ZACQAIPSSA-N 2 1 362.474 0.740 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627303122 493142066 /nfs/dbraw/zinc/14/20/66/493142066.db2.gz HYHBEAWIHRVILG-ROUUACIJSA-N 2 1 374.485 0.119 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647000808 493143978 /nfs/dbraw/zinc/14/39/78/493143978.db2.gz UFPNGMOOOLNZAS-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627311809 493145995 /nfs/dbraw/zinc/14/59/95/493145995.db2.gz IDRZWWWHFHTOLO-GASCZTMLSA-N 2 1 356.511 0.293 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647025685 493148170 /nfs/dbraw/zinc/14/81/70/493148170.db2.gz DZFNITJVPLRAJC-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627318783 493150035 /nfs/dbraw/zinc/15/00/35/493150035.db2.gz AGLBDWDIYBLTRP-CMPLNLGQSA-N 2 1 350.385 0.183 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000627320190 493150831 /nfs/dbraw/zinc/15/08/31/493150831.db2.gz UTZHJPCMYFEYCH-WMLDXEAASA-N 2 1 360.458 0.002 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000627320190 493150836 /nfs/dbraw/zinc/15/08/36/493150836.db2.gz UTZHJPCMYFEYCH-WMLDXEAASA-N 2 1 360.458 0.002 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091850 493162630 /nfs/dbraw/zinc/16/26/30/493162630.db2.gz QUKDIIDFQWCOBO-BRWVUGGUSA-N 2 1 363.506 0.608 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627343031 493163480 /nfs/dbraw/zinc/16/34/80/493163480.db2.gz WWNKELNPVTVDMZ-NJAFHUGGSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659443276 493180039 /nfs/dbraw/zinc/18/00/39/493180039.db2.gz YYVZTGKVYCPVMW-FRRDWIJNSA-N 2 1 350.467 0.807 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641215129 493182331 /nfs/dbraw/zinc/18/23/31/493182331.db2.gz NVMWTCXQKKHBMQ-LJQANCHMSA-N 2 1 358.490 0.219 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000627368537 493182515 /nfs/dbraw/zinc/18/25/15/493182515.db2.gz XHUKAWUNKXHERU-GZBFAFLISA-N 2 1 350.488 0.725 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659456154 493182970 /nfs/dbraw/zinc/18/29/70/493182970.db2.gz NSEPILMGQLQLMB-MDCZIUGASA-N 2 1 358.490 0.643 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220170 493183730 /nfs/dbraw/zinc/18/37/30/493183730.db2.gz ABQCPZQZWRZJLV-GOEBONIOSA-N 2 1 353.854 0.919 20 0 FCADMP O[C@]1(Cn2cc(CN3CC[NH2+]CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641229111 493186199 /nfs/dbraw/zinc/18/61/99/493186199.db2.gz GKMXWIGBQUHIME-LJQANCHMSA-N 2 1 356.474 0.320 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000627388252 493195775 /nfs/dbraw/zinc/19/57/75/493195775.db2.gz PKBGUROBWDSCCZ-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539569 493209313 /nfs/dbraw/zinc/20/93/13/493209313.db2.gz RKJRWKYOTHIMAD-CHWSQXEVSA-N 2 1 365.444 0.995 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638244 493222887 /nfs/dbraw/zinc/22/28/87/493222887.db2.gz RJBJQUOHWNAVEV-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638244 493222890 /nfs/dbraw/zinc/22/28/90/493222890.db2.gz RJBJQUOHWNAVEV-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000672655509 493229091 /nfs/dbraw/zinc/22/90/91/493229091.db2.gz YPPZWWQEJFNWJZ-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000672655509 493229093 /nfs/dbraw/zinc/22/90/93/493229093.db2.gz YPPZWWQEJFNWJZ-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672655509 493229094 /nfs/dbraw/zinc/22/90/94/493229094.db2.gz YPPZWWQEJFNWJZ-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672655509 493229096 /nfs/dbraw/zinc/22/90/96/493229096.db2.gz YPPZWWQEJFNWJZ-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000672699819 493236578 /nfs/dbraw/zinc/23/65/78/493236578.db2.gz JRJMJNWLBIDDAZ-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000672699819 493236581 /nfs/dbraw/zinc/23/65/81/493236581.db2.gz JRJMJNWLBIDDAZ-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672711548 493238466 /nfs/dbraw/zinc/23/84/66/493238466.db2.gz GYICQAHMDODECB-UHFFFAOYSA-N 2 1 355.527 0.111 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000659677964 493247581 /nfs/dbraw/zinc/24/75/81/493247581.db2.gz UXEUKHPIENDEIN-QGZVFWFLSA-N 2 1 374.485 0.257 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)nc(C)[nH+]1 ZINC000659682840 493250187 /nfs/dbraw/zinc/25/01/87/493250187.db2.gz OYFZWMHVZIGZHS-UHFFFAOYSA-N 2 1 362.478 0.374 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000659684883 493251698 /nfs/dbraw/zinc/25/16/98/493251698.db2.gz KMKRUENOOIVVCX-LSDHHAIUSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000659684883 493251702 /nfs/dbraw/zinc/25/17/02/493251702.db2.gz KMKRUENOOIVVCX-LSDHHAIUSA-N 2 1 362.474 0.248 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c(N2CCCC2)[nH+]1 ZINC000659701455 493261106 /nfs/dbraw/zinc/26/11/06/493261106.db2.gz FGJXPWWYPGJQNP-UHFFFAOYSA-N 2 1 359.474 0.994 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659702798 493262879 /nfs/dbraw/zinc/26/28/79/493262879.db2.gz UXCNQWNJFRSIHC-KZNAEPCWSA-N 2 1 362.518 0.968 20 0 FCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659703985 493263121 /nfs/dbraw/zinc/26/31/21/493263121.db2.gz IJABBRMXWSSYPO-NVXWUHKLSA-N 2 1 362.518 0.825 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)n[nH]1 ZINC000667181628 493264931 /nfs/dbraw/zinc/26/49/31/493264931.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n[nH]1 ZINC000667181628 493264935 /nfs/dbraw/zinc/26/49/35/493264935.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)n[nH]1 ZINC000667181628 493264938 /nfs/dbraw/zinc/26/49/38/493264938.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC000667181628 493264943 /nfs/dbraw/zinc/26/49/43/493264943.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC000667181628 493264945 /nfs/dbraw/zinc/26/49/45/493264945.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[nH]n1 ZINC000667181628 493264948 /nfs/dbraw/zinc/26/49/48/493264948.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[nH]n1 ZINC000667181628 493264953 /nfs/dbraw/zinc/26/49/53/493264953.db2.gz HXPWNKPOOIHNDS-BETUJISGSA-N 2 1 372.473 0.343 20 0 FCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@H+]1CCO ZINC000672957661 493270138 /nfs/dbraw/zinc/27/01/38/493270138.db2.gz UTIDFMUHXJDFRD-SJORKVTESA-N 2 1 368.522 0.462 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719536 493271329 /nfs/dbraw/zinc/27/13/29/493271329.db2.gz YSVHTLXLYQMFGP-LZWOXQAQSA-N 2 1 366.506 0.739 20 0 FCADMP COC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)[C@H]1CCCC[NH+]1C ZINC000682169456 493274274 /nfs/dbraw/zinc/27/42/74/493274274.db2.gz YBFQSPDGNJCKNZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000682169456 493274281 /nfs/dbraw/zinc/27/42/81/493274281.db2.gz YBFQSPDGNJCKNZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000682169456 493274284 /nfs/dbraw/zinc/27/42/84/493274284.db2.gz YBFQSPDGNJCKNZ-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659734620 493278517 /nfs/dbraw/zinc/27/85/17/493278517.db2.gz NRSZTEJVLZLAFX-OWCLPIDISA-N 2 1 366.506 0.474 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659734620 493278521 /nfs/dbraw/zinc/27/85/21/493278521.db2.gz NRSZTEJVLZLAFX-OWCLPIDISA-N 2 1 366.506 0.474 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659734612 493278713 /nfs/dbraw/zinc/27/87/13/493278713.db2.gz NRSZTEJVLZLAFX-BZUAXINKSA-N 2 1 366.506 0.474 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000659734738 493278755 /nfs/dbraw/zinc/27/87/55/493278755.db2.gz BRKQLNDRFUSVMR-ZBFHGGJFSA-N 2 1 352.479 0.086 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659739083 493280376 /nfs/dbraw/zinc/28/03/76/493280376.db2.gz MYCPZGCOMSHRIF-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659739085 493280539 /nfs/dbraw/zinc/28/05/39/493280539.db2.gz MYCPZGCOMSHRIF-ULQDDVLXSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744187 493282613 /nfs/dbraw/zinc/28/26/13/493282613.db2.gz RBWVAGIMIPTXRR-RXMUNUFUSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744187 493282615 /nfs/dbraw/zinc/28/26/15/493282615.db2.gz RBWVAGIMIPTXRR-RXMUNUFUSA-N 2 1 370.497 0.976 20 0 FCADMP CCC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)S(N)(=O)=O ZINC000667812305 493303311 /nfs/dbraw/zinc/30/33/11/493303311.db2.gz JFJWZLMGCQEAGE-GJZGRUSLSA-N 2 1 362.540 0.318 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660133546 493329105 /nfs/dbraw/zinc/32/91/05/493329105.db2.gz ZLMLOOHBQQCHKE-GOSISDBHSA-N 2 1 367.515 0.903 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660133546 493329108 /nfs/dbraw/zinc/32/91/08/493329108.db2.gz ZLMLOOHBQQCHKE-GOSISDBHSA-N 2 1 367.515 0.903 20 0 FCADMP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000660165964 493331851 /nfs/dbraw/zinc/33/18/51/493331851.db2.gz XXKKWEDUSIBAEK-ZACQAIPSSA-N 2 1 351.491 0.593 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660624863 493367792 /nfs/dbraw/zinc/36/77/92/493367792.db2.gz IQUAITBAIWVIEK-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000683813917 493371853 /nfs/dbraw/zinc/37/18/53/493371853.db2.gz ZKFSUBSJIMBOTN-DZGCQCFKSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000683813917 493371856 /nfs/dbraw/zinc/37/18/56/493371856.db2.gz ZKFSUBSJIMBOTN-DZGCQCFKSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000668602770 493382552 /nfs/dbraw/zinc/38/25/52/493382552.db2.gz KGABESYITOLYRV-JKSUJKDBSA-N 2 1 354.495 0.779 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660900309 493392092 /nfs/dbraw/zinc/39/20/92/493392092.db2.gz XMNZXASUXMDGHI-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000668776592 493408498 /nfs/dbraw/zinc/40/84/98/493408498.db2.gz DELNOGBYPRUEON-UHFFFAOYSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000668867743 493425326 /nfs/dbraw/zinc/42/53/26/493425326.db2.gz URHMRLCVTMLLIB-CQSZACIVSA-N 2 1 364.494 0.339 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000668892183 493429649 /nfs/dbraw/zinc/42/96/49/493429649.db2.gz YMEZYVSOZIDWEO-YESZJQIVSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccnc2N2CCCC2)CC[N@H+]1C ZINC000668892657 493429700 /nfs/dbraw/zinc/42/97/00/493429700.db2.gz IXUIRTNGNWYFBV-GOEBONIOSA-N 2 1 359.474 0.897 20 0 FCADMP Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668931223 493439729 /nfs/dbraw/zinc/43/97/29/493439729.db2.gz YEPXQLMQOFIYKO-OAGGEKHMSA-N 2 1 362.478 0.262 20 0 FCADMP Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668931223 493439730 /nfs/dbraw/zinc/43/97/30/493439730.db2.gz YEPXQLMQOFIYKO-OAGGEKHMSA-N 2 1 362.478 0.262 20 0 FCADMP COCC[N@H+]1CCN(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668934089 493440250 /nfs/dbraw/zinc/44/02/50/493440250.db2.gz VDRMIJLQLZABDU-XHSDSOJGSA-N 2 1 364.494 0.508 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668934089 493440251 /nfs/dbraw/zinc/44/02/51/493440251.db2.gz VDRMIJLQLZABDU-XHSDSOJGSA-N 2 1 364.494 0.508 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668934089 493440255 /nfs/dbraw/zinc/44/02/55/493440255.db2.gz VDRMIJLQLZABDU-XHSDSOJGSA-N 2 1 364.494 0.508 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000669035303 493455890 /nfs/dbraw/zinc/45/58/90/493455890.db2.gz BYFRHXLSPGFRPK-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000675190047 493472640 /nfs/dbraw/zinc/47/26/40/493472640.db2.gz GYQYHBIAUNFKBF-JKSUJKDBSA-N 2 1 353.511 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336618 493477485 /nfs/dbraw/zinc/47/74/85/493477485.db2.gz IJQBNPXJJLIASJ-HOCLYGCPSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336618 493477486 /nfs/dbraw/zinc/47/74/86/493477486.db2.gz IJQBNPXJJLIASJ-HOCLYGCPSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000669227857 493480103 /nfs/dbraw/zinc/48/01/03/493480103.db2.gz HORLNHGGQCOEOP-OAHLLOKOSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000685341133 493480492 /nfs/dbraw/zinc/48/04/92/493480492.db2.gz GNPQMVJVNFKIKL-FZKCQIBNSA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000685341133 493480494 /nfs/dbraw/zinc/48/04/94/493480494.db2.gz GNPQMVJVNFKIKL-FZKCQIBNSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000685341133 493480496 /nfs/dbraw/zinc/48/04/96/493480496.db2.gz GNPQMVJVNFKIKL-FZKCQIBNSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000685341133 493480499 /nfs/dbraw/zinc/48/04/99/493480499.db2.gz GNPQMVJVNFKIKL-FZKCQIBNSA-N 2 1 354.495 0.153 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685340325 493480545 /nfs/dbraw/zinc/48/05/45/493480545.db2.gz QDKBXRCFHOYGHC-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340325 493480549 /nfs/dbraw/zinc/48/05/49/493480549.db2.gz QDKBXRCFHOYGHC-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP O=C(CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)Nc1ccc(F)cc1 ZINC000662258899 493500734 /nfs/dbraw/zinc/50/07/34/493500734.db2.gz NVKBJUZEMUWRCQ-KRWDZBQOSA-N 2 1 362.449 0.903 20 0 FCADMP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662260980 493500973 /nfs/dbraw/zinc/50/09/73/493500973.db2.gz SIIGILWELAVHID-KSZLIROESA-N 2 1 364.534 0.630 20 0 FCADMP Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662265808 493501520 /nfs/dbraw/zinc/50/15/20/493501520.db2.gz ZLSACIDFBDBRAE-CQSZACIVSA-N 2 1 357.462 0.315 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000662272057 493501706 /nfs/dbraw/zinc/50/17/06/493501706.db2.gz CFLRJGNAXMCHQW-HNNXBMFYSA-N 2 1 353.488 0.782 20 0 FCADMP C[NH+](C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568542 493503970 /nfs/dbraw/zinc/50/39/70/493503970.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568542 493503973 /nfs/dbraw/zinc/50/39/73/493503973.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 2 1 368.566 0.293 20 0 FCADMP C[NH+](C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568542 493503975 /nfs/dbraw/zinc/50/39/75/493503975.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 2 1 368.566 0.293 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295940 493504397 /nfs/dbraw/zinc/50/43/97/493504397.db2.gz JDTWGECYOIRWKI-YJBOKZPZSA-N 2 1 350.507 0.777 20 0 FCADMP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662309810 493505616 /nfs/dbraw/zinc/50/56/16/493505616.db2.gz DVHVLVGRYBBPOL-QGZVFWFLSA-N 2 1 352.504 0.798 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486420 493506217 /nfs/dbraw/zinc/50/62/17/493506217.db2.gz DPJUTPIWCJLJTO-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491033 493507224 /nfs/dbraw/zinc/50/72/24/493507224.db2.gz IZHFMLWNBKDIAV-JKSUJKDBSA-N 2 1 351.495 0.500 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491030 493507339 /nfs/dbraw/zinc/50/73/39/493507339.db2.gz IZHFMLWNBKDIAV-CVEARBPZSA-N 2 1 351.495 0.500 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669491349 493507433 /nfs/dbraw/zinc/50/74/33/493507433.db2.gz WGOGLINCBAKEGJ-IRXDYDNUSA-N 2 1 363.506 0.324 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000669524624 493508962 /nfs/dbraw/zinc/50/89/62/493508962.db2.gz LFMWWXDFEYGNPJ-BZUAXINKSA-N 2 1 363.506 0.465 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000662352621 493509084 /nfs/dbraw/zinc/50/90/84/493509084.db2.gz YNTWLHVJEOHONT-BPQIPLTHSA-N 2 1 363.506 0.505 20 0 FCADMP [NH3+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000662390767 493512447 /nfs/dbraw/zinc/51/24/47/493512447.db2.gz MVMPCPMNFVHVKM-CQSZACIVSA-N 2 1 355.280 0.860 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC[N@H+]1CCOC ZINC000662464107 493518393 /nfs/dbraw/zinc/51/83/93/493518393.db2.gz LECXYNOGZWXBRQ-BPQIPLTHSA-N 2 1 363.506 0.601 20 0 FCADMP [NH3+][C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000662519116 493522817 /nfs/dbraw/zinc/52/28/17/493522817.db2.gz YAOODWMKGMTDKP-DOMZBBRYSA-N 2 1 367.291 0.955 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000662519117 493522932 /nfs/dbraw/zinc/52/29/32/493522932.db2.gz YAOODWMKGMTDKP-IUODEOHRSA-N 2 1 367.291 0.955 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C ZINC000662560578 493526070 /nfs/dbraw/zinc/52/60/70/493526070.db2.gz JQEPYZLSTYWMNX-HOCLYGCPSA-N 2 1 370.457 0.916 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662695311 493532758 /nfs/dbraw/zinc/53/27/58/493532758.db2.gz ZBGIBMKAQLREAF-OAHLLOKOSA-N 2 1 350.429 0.918 20 0 FCADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721064 493534817 /nfs/dbraw/zinc/53/48/17/493534817.db2.gz PUAZULUPNFUFMI-OALUTQOASA-N 2 1 360.502 0.626 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)oc1C ZINC000662729902 493535505 /nfs/dbraw/zinc/53/55/05/493535505.db2.gz PIJAUGBCIIRYRN-CVEARBPZSA-N 2 1 350.463 0.983 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662734566 493535772 /nfs/dbraw/zinc/53/57/72/493535772.db2.gz RGHDVRFZWLYLIC-ZFWWWQNUSA-N 2 1 364.412 0.051 20 0 FCADMP C[NH+]1CCN([C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc2)CC1 ZINC000662753531 493538533 /nfs/dbraw/zinc/53/85/33/493538533.db2.gz SCONCGSEWOUIET-GOSISDBHSA-N 2 1 370.457 0.246 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)O1 ZINC000662779785 493541642 /nfs/dbraw/zinc/54/16/42/493541642.db2.gz NOBFQTDTFDYEFQ-NXWXRZEISA-N 2 1 359.470 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)O1 ZINC000662779785 493541643 /nfs/dbraw/zinc/54/16/43/493541643.db2.gz NOBFQTDTFDYEFQ-NXWXRZEISA-N 2 1 359.470 0.865 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662871620 493548828 /nfs/dbraw/zinc/54/88/28/493548828.db2.gz ATMBOQPJHUTOBB-MJGOQNOKSA-N 2 1 360.502 0.861 20 0 FCADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662935259 493556311 /nfs/dbraw/zinc/55/63/11/493556311.db2.gz YTFCUNRIKWYDMZ-QGZVFWFLSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000662950030 493559605 /nfs/dbraw/zinc/55/96/05/493559605.db2.gz FMQPKBJSSSYQCG-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662954354 493560313 /nfs/dbraw/zinc/56/03/13/493560313.db2.gz UTAYGGGRKWRIDC-SJLPKXTDSA-N 2 1 358.486 0.582 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662962502 493561569 /nfs/dbraw/zinc/56/15/69/493561569.db2.gz JVEWPECAJBHEAC-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000676698128 493567754 /nfs/dbraw/zinc/56/77/54/493567754.db2.gz MQHILNPEYIHPHX-MJGOQNOKSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000676698128 493567755 /nfs/dbraw/zinc/56/77/55/493567755.db2.gz MQHILNPEYIHPHX-MJGOQNOKSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000676698128 493567757 /nfs/dbraw/zinc/56/77/57/493567757.db2.gz MQHILNPEYIHPHX-MJGOQNOKSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670481956 493573415 /nfs/dbraw/zinc/57/34/15/493573415.db2.gz UJTOOTDUAFBLPN-OCCSQVGLSA-N 2 1 354.495 0.247 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670481956 493573417 /nfs/dbraw/zinc/57/34/17/493573417.db2.gz UJTOOTDUAFBLPN-OCCSQVGLSA-N 2 1 354.495 0.247 20 0 FCADMP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670787488 493597045 /nfs/dbraw/zinc/59/70/45/493597045.db2.gz CAWZWAOPTDCADT-HOCLYGCPSA-N 2 1 355.442 0.736 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552748 493597162 /nfs/dbraw/zinc/59/71/62/493597162.db2.gz HGXSBCARKQKRMV-QZTJIDSGSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552748 493597163 /nfs/dbraw/zinc/59/71/63/493597163.db2.gz HGXSBCARKQKRMV-QZTJIDSGSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000670805007 493598625 /nfs/dbraw/zinc/59/86/25/493598625.db2.gz PQCAKKZZYJAIEJ-MRXNPFEDSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[NH+](C)C ZINC000663562757 493599317 /nfs/dbraw/zinc/59/93/17/493599317.db2.gz CLLQKCSCBJXQJL-MRXNPFEDSA-N 2 1 363.510 0.628 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC(C)C ZINC000670834627 493603670 /nfs/dbraw/zinc/60/36/70/493603670.db2.gz WNWPEVUBQPWEER-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000670834627 493603672 /nfs/dbraw/zinc/60/36/72/493603672.db2.gz WNWPEVUBQPWEER-IXDOHACOSA-N 2 1 370.538 0.694 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000670997793 493621991 /nfs/dbraw/zinc/62/19/91/493621991.db2.gz LEXOAJBBZOATBI-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962135 493627136 /nfs/dbraw/zinc/62/71/36/493627136.db2.gz KUTCGMPWADLUNP-BZSNNMDCSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962135 493627137 /nfs/dbraw/zinc/62/71/37/493627137.db2.gz KUTCGMPWADLUNP-BZSNNMDCSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000677962135 493627138 /nfs/dbraw/zinc/62/71/38/493627138.db2.gz KUTCGMPWADLUNP-BZSNNMDCSA-N 2 1 367.538 0.517 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671099214 493632771 /nfs/dbraw/zinc/63/27/71/493632771.db2.gz AEZRFJHVGBNEIA-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671099214 493632772 /nfs/dbraw/zinc/63/27/72/493632772.db2.gz AEZRFJHVGBNEIA-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671099214 493632774 /nfs/dbraw/zinc/63/27/74/493632774.db2.gz AEZRFJHVGBNEIA-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100327 493632778 /nfs/dbraw/zinc/63/27/78/493632778.db2.gz BJPUYIAHZWGCAT-ULQDDVLXSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000671103796 493634052 /nfs/dbraw/zinc/63/40/52/493634052.db2.gz IYVMTPAHELBXIW-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671105119 493635100 /nfs/dbraw/zinc/63/51/00/493635100.db2.gz HVGXZIQBWCDPPK-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105119 493635103 /nfs/dbraw/zinc/63/51/03/493635103.db2.gz HVGXZIQBWCDPPK-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105119 493635104 /nfs/dbraw/zinc/63/51/04/493635104.db2.gz HVGXZIQBWCDPPK-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000671104930 493635132 /nfs/dbraw/zinc/63/51/32/493635132.db2.gz YSSIOMKWDUWPFE-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000671104930 493635136 /nfs/dbraw/zinc/63/51/36/493635136.db2.gz YSSIOMKWDUWPFE-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104930 493635138 /nfs/dbraw/zinc/63/51/38/493635138.db2.gz YSSIOMKWDUWPFE-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104930 493635141 /nfs/dbraw/zinc/63/51/41/493635141.db2.gz YSSIOMKWDUWPFE-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107191 493636043 /nfs/dbraw/zinc/63/60/43/493636043.db2.gz GTCNOGWANXTLDY-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000671107191 493636046 /nfs/dbraw/zinc/63/60/46/493636046.db2.gz GTCNOGWANXTLDY-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000671107191 493636049 /nfs/dbraw/zinc/63/60/49/493636049.db2.gz GTCNOGWANXTLDY-WCXIOVBPSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671108376 493636365 /nfs/dbraw/zinc/63/63/65/493636365.db2.gz XTPUUIWRUAQBTC-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108376 493636367 /nfs/dbraw/zinc/63/63/67/493636367.db2.gz XTPUUIWRUAQBTC-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108376 493636370 /nfs/dbraw/zinc/63/63/70/493636370.db2.gz XTPUUIWRUAQBTC-QZWWFDLISA-N 2 1 350.507 0.966 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000664141317 493639520 /nfs/dbraw/zinc/63/95/20/493639520.db2.gz MSMSTWWYPYXQBS-QZWWFDLISA-N 2 1 356.511 0.440 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1C ZINC000664352163 493655232 /nfs/dbraw/zinc/65/52/32/493655232.db2.gz VNSZPAXJFZBZFF-OAHLLOKOSA-N 2 1 350.467 0.227 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1C ZINC000664352163 493655234 /nfs/dbraw/zinc/65/52/34/493655234.db2.gz VNSZPAXJFZBZFF-OAHLLOKOSA-N 2 1 350.467 0.227 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671370792 493661420 /nfs/dbraw/zinc/66/14/20/493661420.db2.gz QWVQSAMBLCUKBF-NNFUDEMPSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671370792 493661422 /nfs/dbraw/zinc/66/14/22/493661422.db2.gz QWVQSAMBLCUKBF-NNFUDEMPSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380482 493677942 /nfs/dbraw/zinc/67/79/42/493677942.db2.gz IPBFHJRMKHRZRW-GVDBMIGSSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380482 493677944 /nfs/dbraw/zinc/67/79/44/493677944.db2.gz IPBFHJRMKHRZRW-GVDBMIGSSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000679380482 493677946 /nfs/dbraw/zinc/67/79/46/493677946.db2.gz IPBFHJRMKHRZRW-GVDBMIGSSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN([C@H]3CCOC3)CC2)CCCO1 ZINC000664758269 493681497 /nfs/dbraw/zinc/68/14/97/493681497.db2.gz NTPNZPPSBJLQPA-IRXDYDNUSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509250 493685359 /nfs/dbraw/zinc/68/53/59/493685359.db2.gz BHOKZCVPBCQBLT-WFASDCNBSA-N 2 1 354.414 0.805 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679509250 493685362 /nfs/dbraw/zinc/68/53/62/493685362.db2.gz BHOKZCVPBCQBLT-WFASDCNBSA-N 2 1 354.414 0.805 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000679509725 493685414 /nfs/dbraw/zinc/68/54/14/493685414.db2.gz PWKSLSAFEJYMPO-CHWSQXEVSA-N 2 1 354.414 0.947 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000679509725 493685418 /nfs/dbraw/zinc/68/54/18/493685418.db2.gz PWKSLSAFEJYMPO-CHWSQXEVSA-N 2 1 354.414 0.947 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000671882857 493711015 /nfs/dbraw/zinc/71/10/15/493711015.db2.gz UNNLDHCYZSGNTP-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000671882857 493711016 /nfs/dbraw/zinc/71/10/16/493711016.db2.gz UNNLDHCYZSGNTP-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000671882857 493711017 /nfs/dbraw/zinc/71/10/17/493711017.db2.gz UNNLDHCYZSGNTP-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000671882857 493711018 /nfs/dbraw/zinc/71/10/18/493711018.db2.gz UNNLDHCYZSGNTP-HRCADAONSA-N 2 1 354.495 0.058 20 0 FCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671894815 493712197 /nfs/dbraw/zinc/71/21/97/493712197.db2.gz NNBONCVFXUYMRI-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671894815 493712199 /nfs/dbraw/zinc/71/21/99/493712199.db2.gz NNBONCVFXUYMRI-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671894815 493712201 /nfs/dbraw/zinc/71/22/01/493712201.db2.gz NNBONCVFXUYMRI-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671894815 493712203 /nfs/dbraw/zinc/71/22/03/493712203.db2.gz NNBONCVFXUYMRI-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671963617 493719644 /nfs/dbraw/zinc/71/96/44/493719644.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671963617 493719645 /nfs/dbraw/zinc/71/96/45/493719645.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671963617 493719646 /nfs/dbraw/zinc/71/96/46/493719646.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671963617 493719647 /nfs/dbraw/zinc/71/96/47/493719647.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671963617 493719648 /nfs/dbraw/zinc/71/96/48/493719648.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000672015390 493725222 /nfs/dbraw/zinc/72/52/22/493725222.db2.gz VVMMKXQMCVXHEZ-ZMSDIMECSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H](C)O ZINC000672015390 493725224 /nfs/dbraw/zinc/72/52/24/493725224.db2.gz VVMMKXQMCVXHEZ-ZMSDIMECSA-N 2 1 368.522 0.137 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672099057 493734917 /nfs/dbraw/zinc/73/49/17/493734917.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099057 493734919 /nfs/dbraw/zinc/73/49/19/493734919.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672099057 493734922 /nfs/dbraw/zinc/73/49/22/493734922.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672099057 493734924 /nfs/dbraw/zinc/73/49/24/493734924.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672099057 493734927 /nfs/dbraw/zinc/73/49/27/493734927.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 2 1 367.538 0.118 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000672166107 493740368 /nfs/dbraw/zinc/74/03/68/493740368.db2.gz RZXFQNNBCMXOBZ-YOEHRIQHSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125460 493759310 /nfs/dbraw/zinc/75/93/10/493759310.db2.gz GWAFBUYONGVNJY-JXFKEZNVSA-N 2 1 372.469 0.195 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410475689 534018782 /nfs/dbraw/zinc/01/87/82/534018782.db2.gz NLFFZJJIKIUBAI-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410842665 527730820 /nfs/dbraw/zinc/73/08/20/527730820.db2.gz NRPFYRJUATZVPL-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410842665 527730821 /nfs/dbraw/zinc/73/08/21/527730821.db2.gz NRPFYRJUATZVPL-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410948160 527891282 /nfs/dbraw/zinc/89/12/82/527891282.db2.gz SSJZVRNCZJNVCS-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H]1C ZINC000410700614 527963698 /nfs/dbraw/zinc/96/36/98/527963698.db2.gz KMBKOQGHKKCMHD-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H]1C ZINC000410700614 527963707 /nfs/dbraw/zinc/96/37/07/527963707.db2.gz KMBKOQGHKKCMHD-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000410704750 527965465 /nfs/dbraw/zinc/96/54/65/527965465.db2.gz SVRFIORVDRPKSM-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000410704750 527965470 /nfs/dbraw/zinc/96/54/70/527965470.db2.gz SVRFIORVDRPKSM-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H]1C ZINC000410704750 527965475 /nfs/dbraw/zinc/96/54/75/527965475.db2.gz SVRFIORVDRPKSM-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@H]1C ZINC000410704750 527965484 /nfs/dbraw/zinc/96/54/84/527965484.db2.gz SVRFIORVDRPKSM-YYIAUSFCSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000410707109 527990294 /nfs/dbraw/zinc/99/02/94/527990294.db2.gz AVLFNKKENAQORO-UHFFFAOYSA-N 2 1 364.490 0.970 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413456246 528142357 /nfs/dbraw/zinc/14/23/57/528142357.db2.gz OYRNSOSACYVOKF-OAHLLOKOSA-N 2 1 358.483 0.091 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000410477374 528144932 /nfs/dbraw/zinc/14/49/32/528144932.db2.gz TUZWCDXKQBNHIL-DLBZAZTESA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000410847621 528147648 /nfs/dbraw/zinc/14/76/48/528147648.db2.gz WZFXRRLHKIMHIN-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000410847621 528147651 /nfs/dbraw/zinc/14/76/51/528147651.db2.gz WZFXRRLHKIMHIN-BBWFWOEESA-N 2 1 368.522 0.497 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419698580 535072354 /nfs/dbraw/zinc/07/23/54/535072354.db2.gz PVONFDVJTRUNSV-BZUAXINKSA-N 2 1 368.522 0.842 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419906433 535159342 /nfs/dbraw/zinc/15/93/42/535159342.db2.gz CCNFWIYTLVWAQW-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419906433 535159346 /nfs/dbraw/zinc/15/93/46/535159346.db2.gz CCNFWIYTLVWAQW-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423711560 535180899 /nfs/dbraw/zinc/18/08/99/535180899.db2.gz MONRHSPMUNUYHT-DOTOQJQBSA-N 2 1 362.449 0.631 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423662059 535187586 /nfs/dbraw/zinc/18/75/86/535187586.db2.gz MKYNGVBXHUGICD-MRXNPFEDSA-N 2 1 359.474 0.639 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000425638642 535188728 /nfs/dbraw/zinc/18/87/28/535188728.db2.gz LICCDKMXINZROM-RCCFBDPRSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000425638642 535188730 /nfs/dbraw/zinc/18/87/30/535188730.db2.gz LICCDKMXINZROM-RCCFBDPRSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000425638642 535188732 /nfs/dbraw/zinc/18/87/32/535188732.db2.gz LICCDKMXINZROM-RCCFBDPRSA-N 2 1 351.539 0.994 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419284161 535217568 /nfs/dbraw/zinc/21/75/68/535217568.db2.gz KJVIMXBMVILQNO-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000424225797 535322752 /nfs/dbraw/zinc/32/27/52/535322752.db2.gz NMSZZKQRROGCSQ-AGTSVGGPSA-N 2 1 363.506 0.807 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425393351 535715612 /nfs/dbraw/zinc/71/56/12/535715612.db2.gz DFVQILMZUZSRNH-UHFFFAOYSA-N 2 1 356.511 0.356 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)ccc1Cl ZINC000415330418 535991558 /nfs/dbraw/zinc/99/15/58/535991558.db2.gz NTSAFWRSHPVWSG-UHFFFAOYSA-N 2 1 367.881 0.362 20 0 FCADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000446326767 536000231 /nfs/dbraw/zinc/00/02/31/536000231.db2.gz OWFDGWWVPFEGTI-UHFFFAOYSA-N 2 1 363.462 0.691 20 0 FCADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423379473 536340617 /nfs/dbraw/zinc/34/06/17/536340617.db2.gz LXYAAYBFEQNKDR-KRWDZBQOSA-N 2 1 362.474 0.153 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419754882 536349774 /nfs/dbraw/zinc/34/97/74/536349774.db2.gz BGZXRKIMNWDFFU-HNNXBMFYSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[NH3+])c2)CC1 ZINC000415142033 536361567 /nfs/dbraw/zinc/36/15/67/536361567.db2.gz QMAHJVIEWWNGAQ-UHFFFAOYSA-N 2 1 355.464 0.093 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[NH3+])c2)CC1 ZINC000415142033 536361571 /nfs/dbraw/zinc/36/15/71/536361571.db2.gz QMAHJVIEWWNGAQ-UHFFFAOYSA-N 2 1 355.464 0.093 20 0 FCADMP C[N@@H+](CCN1CCN(c2ccccc2)CC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700114 536371874 /nfs/dbraw/zinc/37/18/74/536371874.db2.gz KFVKULBHQZPCNG-LJQANCHMSA-N 2 1 373.545 0.938 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419844726 536372135 /nfs/dbraw/zinc/37/21/35/536372135.db2.gz OHRAUVMJSZDEJX-QGZVFWFLSA-N 2 1 373.501 0.135 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000419176163 536417166 /nfs/dbraw/zinc/41/71/66/536417166.db2.gz YWBNVPCACRJQFU-MSOLQXFVSA-N 2 1 358.486 0.488 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000423902166 536452681 /nfs/dbraw/zinc/45/26/81/536452681.db2.gz UTDGYJKAGRXENQ-XJKSGUPXSA-N 2 1 351.422 0.964 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000423902166 536452685 /nfs/dbraw/zinc/45/26/85/536452685.db2.gz UTDGYJKAGRXENQ-XJKSGUPXSA-N 2 1 351.422 0.964 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000419769883 536481165 /nfs/dbraw/zinc/48/11/65/536481165.db2.gz WJMAAKHOKBUDTN-ROUUACIJSA-N 2 1 374.485 0.118 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000419763973 536481334 /nfs/dbraw/zinc/48/13/34/536481334.db2.gz OUHJDZPUTUFDIY-WMZOPIPTSA-N 2 1 358.486 0.820 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423441714 536775189 /nfs/dbraw/zinc/77/51/89/536775189.db2.gz JGGQNSFWUVEDEJ-QGZVFWFLSA-N 2 1 368.522 0.533 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419680382 536779831 /nfs/dbraw/zinc/77/98/31/536779831.db2.gz RDLBORKVOPHKCM-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1=O ZINC000425319337 536799193 /nfs/dbraw/zinc/79/91/93/536799193.db2.gz PSNUAPSQMYVJHY-OAHLLOKOSA-N 2 1 359.430 0.243 20 0 FCADMP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533865081 546531419 /nfs/dbraw/zinc/53/14/19/546531419.db2.gz HOERQLZWGFDJPN-GFCCVEGCSA-N 2 1 363.443 0.496 20 0 FCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000593729664 546746261 /nfs/dbraw/zinc/74/62/61/546746261.db2.gz HWDWPCUISVZQCN-IJLUTSLNSA-N 2 1 366.384 0.735 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CCCO1 ZINC000458715687 546928516 /nfs/dbraw/zinc/92/85/16/546928516.db2.gz JXMPXUTUCIJIRF-IAGOWNOFSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCCO1 ZINC000458715687 546928518 /nfs/dbraw/zinc/92/85/18/546928518.db2.gz JXMPXUTUCIJIRF-IAGOWNOFSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CCCO1 ZINC000458715687 546928524 /nfs/dbraw/zinc/92/85/24/546928524.db2.gz JXMPXUTUCIJIRF-IAGOWNOFSA-N 2 1 356.511 0.633 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC[S@@](=O)C1 ZINC000475119896 546937625 /nfs/dbraw/zinc/93/76/25/546937625.db2.gz QAOYYSVEIFKNKN-ODCWNRFASA-N 2 1 365.503 0.414 20 0 FCADMP COC[C@@]1(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000641800255 546960532 /nfs/dbraw/zinc/96/05/32/546960532.db2.gz AYMWYGDFBCASOR-AEFFLSMTSA-N 2 1 353.511 0.176 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000550271099 547081764 /nfs/dbraw/zinc/08/17/64/547081764.db2.gz JLIPYQZRFKZSOG-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000550355956 547084182 /nfs/dbraw/zinc/08/41/82/547084182.db2.gz KLXWKNYEGAUMQI-HNNXBMFYSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550658344 547094734 /nfs/dbraw/zinc/09/47/34/547094734.db2.gz JWADJXPBASADIM-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216691 547135201 /nfs/dbraw/zinc/13/52/01/547135201.db2.gz ABTLKDJSVHEUOO-KBXCAEBGSA-N 2 1 368.547 0.673 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000551492071 547149980 /nfs/dbraw/zinc/14/99/80/547149980.db2.gz LCIMNCXJPAYBHJ-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000551492071 547149984 /nfs/dbraw/zinc/14/99/84/547149984.db2.gz LCIMNCXJPAYBHJ-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000551492071 547149990 /nfs/dbraw/zinc/14/99/90/547149990.db2.gz LCIMNCXJPAYBHJ-ZACQAIPSSA-N 2 1 350.507 0.966 20 0 FCADMP COC(=O)c1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cn1C ZINC000552277633 547197766 /nfs/dbraw/zinc/19/77/66/547197766.db2.gz AXNNJUWXPOLJHA-UHFFFAOYSA-N 2 1 350.463 0.894 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552546148 547215145 /nfs/dbraw/zinc/21/51/45/547215145.db2.gz BWAXTONDNZGYFG-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552546148 547215148 /nfs/dbraw/zinc/21/51/48/547215148.db2.gz BWAXTONDNZGYFG-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000552851871 547236169 /nfs/dbraw/zinc/23/61/69/547236169.db2.gz WFEMYIODBORULR-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C[C@@H]1C ZINC000553372642 547274036 /nfs/dbraw/zinc/27/40/36/547274036.db2.gz ZSLMOJFKGPHFSS-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@@H]1C ZINC000553372642 547274040 /nfs/dbraw/zinc/27/40/40/547274040.db2.gz ZSLMOJFKGPHFSS-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@@H]1C ZINC000553372642 547274046 /nfs/dbraw/zinc/27/40/46/547274046.db2.gz ZSLMOJFKGPHFSS-JYJNAYRXSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000475723659 547334326 /nfs/dbraw/zinc/33/43/26/547334326.db2.gz PWSHROFIEFHUGT-FCGDIQPGSA-N 2 1 357.539 0.889 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206089 674397232 /nfs/dbraw/zinc/39/72/32/674397232.db2.gz LPVATDHAUUSJNS-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP O=C1[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292383 598962222 /nfs/dbraw/zinc/96/22/22/598962222.db2.gz ZZRNRHRNSBSIPJ-DZGCQCFKSA-N 2 1 364.413 0.773 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949838484 674414058 /nfs/dbraw/zinc/41/40/58/674414058.db2.gz KCRRMWYXFDOSPJ-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1-c1nn[nH]n1 ZINC000821813977 599431727 /nfs/dbraw/zinc/43/17/27/599431727.db2.gz QTIOSHNMAADSRT-AWEZNQCLSA-N 2 1 373.461 0.552 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000952293691 674475163 /nfs/dbraw/zinc/47/51/63/674475163.db2.gz AHWWXRGROWWNFN-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000952293691 674475164 /nfs/dbraw/zinc/47/51/64/674475164.db2.gz AHWWXRGROWWNFN-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000952293691 674475165 /nfs/dbraw/zinc/47/51/65/674475165.db2.gz AHWWXRGROWWNFN-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000953978437 674487401 /nfs/dbraw/zinc/48/74/01/674487401.db2.gz RZUHKMWRLYRDEC-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000953978437 674487403 /nfs/dbraw/zinc/48/74/03/674487403.db2.gz RZUHKMWRLYRDEC-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000953978437 674487405 /nfs/dbraw/zinc/48/74/05/674487405.db2.gz RZUHKMWRLYRDEC-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC000954412314 674496737 /nfs/dbraw/zinc/49/67/37/674496737.db2.gz DZEHVPOXRXTNSV-GVDBMIGSSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000954408999 674496812 /nfs/dbraw/zinc/49/68/12/674496812.db2.gz IZFXAIQAFMENAO-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000954704716 674503553 /nfs/dbraw/zinc/50/35/53/674503553.db2.gz DBOLHASIYSEUGF-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000954704716 674503555 /nfs/dbraw/zinc/50/35/55/674503555.db2.gz DBOLHASIYSEUGF-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000954704716 674503556 /nfs/dbraw/zinc/50/35/56/674503556.db2.gz DBOLHASIYSEUGF-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000954840132 674506018 /nfs/dbraw/zinc/50/60/18/674506018.db2.gz LISREEDKOAWWDD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000954840132 674506019 /nfs/dbraw/zinc/50/60/19/674506019.db2.gz LISREEDKOAWWDD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000954840132 674506020 /nfs/dbraw/zinc/50/60/20/674506020.db2.gz LISREEDKOAWWDD-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000957014311 674533488 /nfs/dbraw/zinc/53/34/88/674533488.db2.gz WZXHWRKGTQOIDW-OGWOLHLISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480522 606860488 /nfs/dbraw/zinc/86/04/88/606860488.db2.gz LMLSGKKUSQXCML-KBXCAEBGSA-N 2 1 374.489 0.925 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000989215363 665718009 /nfs/dbraw/zinc/71/80/09/665718009.db2.gz AGBSVWCRCPDJEB-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000989215363 665718012 /nfs/dbraw/zinc/71/80/12/665718012.db2.gz AGBSVWCRCPDJEB-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000989215363 665718016 /nfs/dbraw/zinc/71/80/16/665718016.db2.gz AGBSVWCRCPDJEB-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000899204507 665932427 /nfs/dbraw/zinc/93/24/27/665932427.db2.gz AYIXTUDBMSRGFI-CABCVRRESA-N 2 1 352.479 0.038 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000899204507 665932428 /nfs/dbraw/zinc/93/24/28/665932428.db2.gz AYIXTUDBMSRGFI-CABCVRRESA-N 2 1 352.479 0.038 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC000969689636 663188981 /nfs/dbraw/zinc/18/89/81/663188981.db2.gz KGXOVORKVVRKTO-XOKHGSTOSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC000969689636 663188983 /nfs/dbraw/zinc/18/89/83/663188983.db2.gz KGXOVORKVVRKTO-XOKHGSTOSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC000969689635 663189013 /nfs/dbraw/zinc/18/90/13/663189013.db2.gz KGXOVORKVVRKTO-RRQGHBQHSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC000969689635 663189015 /nfs/dbraw/zinc/18/90/15/663189015.db2.gz KGXOVORKVVRKTO-RRQGHBQHSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC000969705739 663190204 /nfs/dbraw/zinc/19/02/04/663190204.db2.gz BXFFYPXBQMACQU-CKEIUWERSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC000969705739 663190205 /nfs/dbraw/zinc/19/02/05/663190205.db2.gz BXFFYPXBQMACQU-CKEIUWERSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC000969705740 663190235 /nfs/dbraw/zinc/19/02/35/663190235.db2.gz BXFFYPXBQMACQU-JJRVBVJISA-N 2 1 371.547 0.588 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC000969705740 663190238 /nfs/dbraw/zinc/19/02/38/663190238.db2.gz BXFFYPXBQMACQU-JJRVBVJISA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000971564196 663398034 /nfs/dbraw/zinc/39/80/34/663398034.db2.gz UZFYFNOQVDGSCF-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC000971564196 663398038 /nfs/dbraw/zinc/39/80/38/663398038.db2.gz UZFYFNOQVDGSCF-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC000971564196 663398041 /nfs/dbraw/zinc/39/80/41/663398041.db2.gz UZFYFNOQVDGSCF-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001022106067 663405586 /nfs/dbraw/zinc/40/55/86/663405586.db2.gz FECHBDVGYNMAJT-RFQIPJPRSA-N 2 1 350.467 0.603 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001022106067 663405587 /nfs/dbraw/zinc/40/55/87/663405587.db2.gz FECHBDVGYNMAJT-RFQIPJPRSA-N 2 1 350.467 0.603 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891495568 663409876 /nfs/dbraw/zinc/40/98/76/663409876.db2.gz ZVNCDOVXYOTSJU-TUVASFSCSA-N 2 1 353.467 0.293 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000891513442 663410723 /nfs/dbraw/zinc/41/07/23/663410723.db2.gz CDFUWXLURDNTSD-NGFQHRJXSA-N 2 1 351.451 0.046 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000891513852 663410883 /nfs/dbraw/zinc/41/08/83/663410883.db2.gz IALMBCGLEWTSHY-FDYHWXHSSA-N 2 1 350.385 0.628 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538131 663413039 /nfs/dbraw/zinc/41/30/39/663413039.db2.gz QFYDIBRNTZVVEQ-HZPDHXFCSA-N 2 1 354.495 0.555 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000891567945 663415948 /nfs/dbraw/zinc/41/59/48/663415948.db2.gz YQZGNPUIMOTJCW-ULQDDVLXSA-N 2 1 353.511 0.210 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891579968 663416857 /nfs/dbraw/zinc/41/68/57/663416857.db2.gz QIPVBOLLZGCQTM-ZIAGYGMSSA-N 2 1 365.444 0.793 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001022275407 663428854 /nfs/dbraw/zinc/42/88/54/663428854.db2.gz LDYQRCNIXSVCDW-REBRKWNGSA-N 2 1 355.870 0.492 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC001022275407 663428856 /nfs/dbraw/zinc/42/88/56/663428856.db2.gz LDYQRCNIXSVCDW-REBRKWNGSA-N 2 1 355.870 0.492 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC000891698609 663429090 /nfs/dbraw/zinc/42/90/90/663429090.db2.gz HVZCNVOJCRNBTQ-HUUCEWRRSA-N 2 1 356.511 0.630 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001022276625 663429270 /nfs/dbraw/zinc/42/92/70/663429270.db2.gz NYOUZUNBJRSLQC-FVCCEPFGSA-N 2 1 357.405 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001022276625 663429272 /nfs/dbraw/zinc/42/92/72/663429272.db2.gz NYOUZUNBJRSLQC-FVCCEPFGSA-N 2 1 357.405 0.734 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847652 663444761 /nfs/dbraw/zinc/44/47/61/663444761.db2.gz RVYPCMJEUHHEBI-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847652 663444763 /nfs/dbraw/zinc/44/47/63/663444763.db2.gz RVYPCMJEUHHEBI-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847652 663444766 /nfs/dbraw/zinc/44/47/66/663444766.db2.gz RVYPCMJEUHHEBI-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000891925198 663450209 /nfs/dbraw/zinc/45/02/09/663450209.db2.gz FQJNFAXVEQUKDR-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000891925198 663450212 /nfs/dbraw/zinc/45/02/12/663450212.db2.gz FQJNFAXVEQUKDR-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891973722 663459951 /nfs/dbraw/zinc/45/99/51/663459951.db2.gz XIWYTDBDHCTDGO-IRXDYDNUSA-N 2 1 353.511 0.224 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891992725 663464957 /nfs/dbraw/zinc/46/49/57/663464957.db2.gz JPZGPVRQAJKESQ-QGZVFWFLSA-N 2 1 355.527 0.470 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@@H]21 ZINC000892107641 663476921 /nfs/dbraw/zinc/47/69/21/663476921.db2.gz LVPVYQIDIBQSBH-RDBSUJKOSA-N 2 1 363.428 0.558 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000840853203 663537849 /nfs/dbraw/zinc/53/78/49/663537849.db2.gz IBFDYFOPORRKTL-UHFFFAOYSA-N 2 1 358.552 0.482 20 0 FCADMP Cc1nonc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024039522 663868359 /nfs/dbraw/zinc/86/83/59/663868359.db2.gz YBDHCAQHCDMBMU-XNRPHZJLSA-N 2 1 351.451 0.425 20 0 FCADMP Cc1nonc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024039522 663868361 /nfs/dbraw/zinc/86/83/61/663868361.db2.gz YBDHCAQHCDMBMU-XNRPHZJLSA-N 2 1 351.451 0.425 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000892481645 663961320 /nfs/dbraw/zinc/96/13/20/663961320.db2.gz RATAVSOBWQEEFR-HUUCEWRRSA-N 2 1 351.495 0.370 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649374 664058732 /nfs/dbraw/zinc/05/87/32/664058732.db2.gz LDAMPWZVZLYQNL-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649374 664058734 /nfs/dbraw/zinc/05/87/34/664058734.db2.gz LDAMPWZVZLYQNL-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649374 664058738 /nfs/dbraw/zinc/05/87/38/664058738.db2.gz LDAMPWZVZLYQNL-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000892651520 664059350 /nfs/dbraw/zinc/05/93/50/664059350.db2.gz ZJJYHDAZCMNMEK-XHSDSOJGSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892651520 664059354 /nfs/dbraw/zinc/05/93/54/664059354.db2.gz ZJJYHDAZCMNMEK-XHSDSOJGSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892651520 664059356 /nfs/dbraw/zinc/05/93/56/664059356.db2.gz ZJJYHDAZCMNMEK-XHSDSOJGSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000973327805 664098979 /nfs/dbraw/zinc/09/89/79/664098979.db2.gz SVHQGXKAZDSDSM-QBPKDAKJSA-N 2 1 350.507 0.822 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000892761391 664137826 /nfs/dbraw/zinc/13/78/26/664137826.db2.gz ZWDVSLBUQOQPBP-HOTGVXAUSA-N 2 1 354.495 0.291 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760537 664138635 /nfs/dbraw/zinc/13/86/35/664138635.db2.gz UIVGEBFTIMKCEL-CVEARBPZSA-N 2 1 354.495 0.291 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892944936 664177177 /nfs/dbraw/zinc/17/71/77/664177177.db2.gz XCUKPMQXQFSIOQ-IXDOHACOSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892944936 664177178 /nfs/dbraw/zinc/17/71/78/664177178.db2.gz XCUKPMQXQFSIOQ-IXDOHACOSA-N 2 1 354.495 0.338 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892944936 664177179 /nfs/dbraw/zinc/17/71/79/664177179.db2.gz XCUKPMQXQFSIOQ-IXDOHACOSA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@H+]1C ZINC000974187832 664226986 /nfs/dbraw/zinc/22/69/86/664226986.db2.gz VCILQDLCFVHGAB-RGGMIXCSSA-N 2 1 350.507 0.820 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000974187832 664226987 /nfs/dbraw/zinc/22/69/87/664226987.db2.gz VCILQDLCFVHGAB-RGGMIXCSSA-N 2 1 350.507 0.820 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000974187832 664226988 /nfs/dbraw/zinc/22/69/88/664226988.db2.gz VCILQDLCFVHGAB-RGGMIXCSSA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC2(C)C)CC[N@@H+]1C ZINC000974589362 664266252 /nfs/dbraw/zinc/26/62/52/664266252.db2.gz UMBSQSSUSNVRKA-FVQBIDKESA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC2(C)C)CC[N@H+]1C ZINC000974589362 664266253 /nfs/dbraw/zinc/26/62/53/664266253.db2.gz UMBSQSSUSNVRKA-FVQBIDKESA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC2(C)C)CC[NH+]1C ZINC000974589362 664266256 /nfs/dbraw/zinc/26/62/56/664266256.db2.gz UMBSQSSUSNVRKA-FVQBIDKESA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC2(C)C)CC[NH+]1C ZINC000974589362 664266258 /nfs/dbraw/zinc/26/62/58/664266258.db2.gz UMBSQSSUSNVRKA-FVQBIDKESA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC000974728324 664278637 /nfs/dbraw/zinc/27/86/37/664278637.db2.gz JGULNHLAIPQKDL-QBPKDAKJSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21)[NH+](C)C ZINC000975230433 664309434 /nfs/dbraw/zinc/30/94/34/664309434.db2.gz UBADXCPGHXYDEX-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCSC1 ZINC000893418508 664356643 /nfs/dbraw/zinc/35/66/43/664356643.db2.gz YHVYPXXVJRLNMH-VYDXJSESSA-N 2 1 356.536 0.664 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000976035864 664365456 /nfs/dbraw/zinc/36/54/56/664365456.db2.gz IVNZKEBAIRKLKK-NXOAAHMSSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000976406256 664381894 /nfs/dbraw/zinc/38/18/94/664381894.db2.gz MVZLTCMRPHOZOM-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000976595459 664390696 /nfs/dbraw/zinc/39/06/96/664390696.db2.gz KIFWTIBDABSPRV-ZBURPKILSA-N 2 1 350.507 0.486 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000978873054 664447633 /nfs/dbraw/zinc/44/76/33/664447633.db2.gz ZABMUQVAOYKUMY-TXCZRRACSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000979865377 664464397 /nfs/dbraw/zinc/46/43/97/664464397.db2.gz YGQWZFDPCHTJPC-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000979865377 664464398 /nfs/dbraw/zinc/46/43/98/664464398.db2.gz YGQWZFDPCHTJPC-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000979865377 664464400 /nfs/dbraw/zinc/46/44/00/664464400.db2.gz YGQWZFDPCHTJPC-WRQOLXDDSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776837 664839213 /nfs/dbraw/zinc/83/92/13/664839213.db2.gz YBFOCJYZCPXXRQ-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C[C@]2(C)C1 ZINC000893739850 664872971 /nfs/dbraw/zinc/87/29/71/664872971.db2.gz AUELXQJDRATZJX-WMEZAQDKSA-N 2 1 350.507 0.957 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001028547381 664901415 /nfs/dbraw/zinc/90/14/15/664901415.db2.gz SAUKPACFSLXHGI-JQHSSLGASA-N 2 1 353.507 0.554 20 0 FCADMP COCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546855 664902019 /nfs/dbraw/zinc/90/20/19/664902019.db2.gz HELDWDVMHVEXES-JQHSSLGASA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000982875616 664932190 /nfs/dbraw/zinc/93/21/90/664932190.db2.gz VFKRICUFQPNBPI-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841277224 665032864 /nfs/dbraw/zinc/03/28/64/665032864.db2.gz AAAUMMWVVJELCW-UHFFFAOYSA-N 2 1 353.854 0.447 20 0 FCADMP COc1nscc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960527000 674678242 /nfs/dbraw/zinc/67/82/42/674678242.db2.gz MXXXMOMJOOBEAF-LFHLZQBKSA-N 2 1 366.487 0.417 20 0 FCADMP CC[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000896730499 665104760 /nfs/dbraw/zinc/10/47/60/665104760.db2.gz RGNGEHUUFOPDEL-CRAIPNDOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000897443590 665288587 /nfs/dbraw/zinc/28/85/87/665288587.db2.gz XSIPOLXEGWSASG-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000897443590 665288590 /nfs/dbraw/zinc/28/85/90/665288590.db2.gz XSIPOLXEGWSASG-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000897443590 665288592 /nfs/dbraw/zinc/28/85/92/665288592.db2.gz XSIPOLXEGWSASG-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C[C@H](C)O1 ZINC000925275383 665290200 /nfs/dbraw/zinc/29/02/00/665290200.db2.gz RLVZFWWBYCULTH-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C[C@H](C)O1 ZINC000925275383 665290201 /nfs/dbraw/zinc/29/02/01/665290201.db2.gz RLVZFWWBYCULTH-XHSDSOJGSA-N 2 1 352.479 0.892 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000937940482 665306893 /nfs/dbraw/zinc/30/68/93/665306893.db2.gz FWGIAANVROUITJ-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989071177 665339032 /nfs/dbraw/zinc/33/90/32/665339032.db2.gz FWDWNUBTJVRBFR-QKPAOTATSA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000989071177 665339034 /nfs/dbraw/zinc/33/90/34/665339034.db2.gz FWDWNUBTJVRBFR-QKPAOTATSA-N 2 1 354.495 0.153 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC000905361582 666019244 /nfs/dbraw/zinc/01/92/44/666019244.db2.gz HGRFWOGZYKHCKX-KRWDZBQOSA-N 2 1 353.488 0.971 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000907589665 666145709 /nfs/dbraw/zinc/14/57/09/666145709.db2.gz UXRRSDWMJKWJKG-QGZVFWFLSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000908526464 666210307 /nfs/dbraw/zinc/21/03/07/666210307.db2.gz MSYKIOPIBUEUQV-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000908526464 666210310 /nfs/dbraw/zinc/21/03/10/666210310.db2.gz MSYKIOPIBUEUQV-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000908526464 666210314 /nfs/dbraw/zinc/21/03/14/666210314.db2.gz MSYKIOPIBUEUQV-GOSISDBHSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000910993630 666302813 /nfs/dbraw/zinc/30/28/13/666302813.db2.gz SZFWZCXLABIVSL-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000910993629 666302847 /nfs/dbraw/zinc/30/28/47/666302847.db2.gz SZFWZCXLABIVSL-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564712 666366930 /nfs/dbraw/zinc/36/69/30/666366930.db2.gz VJHMLCHONBTYGD-DLBZAZTESA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000912992697 666490435 /nfs/dbraw/zinc/49/04/35/666490435.db2.gz KTXWWHULORPCFQ-QFBILLFUSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000939481285 666517216 /nfs/dbraw/zinc/51/72/16/666517216.db2.gz FRZXDJFTFVYISV-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940311560 666546266 /nfs/dbraw/zinc/54/62/66/666546266.db2.gz UUSGKLJOVAIYTI-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940311560 666546268 /nfs/dbraw/zinc/54/62/68/666546268.db2.gz UUSGKLJOVAIYTI-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940311560 666546270 /nfs/dbraw/zinc/54/62/70/666546270.db2.gz UUSGKLJOVAIYTI-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000940755813 666561002 /nfs/dbraw/zinc/56/10/02/666561002.db2.gz HKNWRKREWNADRB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000940755813 666561005 /nfs/dbraw/zinc/56/10/05/666561005.db2.gz HKNWRKREWNADRB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000940755813 666561007 /nfs/dbraw/zinc/56/10/07/666561007.db2.gz HKNWRKREWNADRB-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)OC ZINC001030330402 666574749 /nfs/dbraw/zinc/57/47/49/666574749.db2.gz XBSMCQRVPRIGNM-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992089065 666617823 /nfs/dbraw/zinc/61/78/23/666617823.db2.gz DNUMEFGHZJPZST-BFYDXBDKSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992089065 666617825 /nfs/dbraw/zinc/61/78/25/666617825.db2.gz DNUMEFGHZJPZST-BFYDXBDKSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000992089065 666617827 /nfs/dbraw/zinc/61/78/27/666617827.db2.gz DNUMEFGHZJPZST-BFYDXBDKSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995150142 666630683 /nfs/dbraw/zinc/63/06/83/666630683.db2.gz BAMZKMJVRBTHJX-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000995150142 666630686 /nfs/dbraw/zinc/63/06/86/666630686.db2.gz BAMZKMJVRBTHJX-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995150142 666630689 /nfs/dbraw/zinc/63/06/89/666630689.db2.gz BAMZKMJVRBTHJX-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000923595805 666632484 /nfs/dbraw/zinc/63/24/84/666632484.db2.gz AWLVGXBSIDTHQF-UHFFFAOYSA-N 2 1 353.423 0.559 20 0 FCADMP CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+]1CCCC1 ZINC000992308567 666632784 /nfs/dbraw/zinc/63/27/84/666632784.db2.gz DGTDRPOQQPMYBV-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992320180 666633195 /nfs/dbraw/zinc/63/31/95/666633195.db2.gz UNERBHKSCSLFDY-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992320180 666633197 /nfs/dbraw/zinc/63/31/97/666633197.db2.gz UNERBHKSCSLFDY-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992320180 666633200 /nfs/dbraw/zinc/63/32/00/666633200.db2.gz UNERBHKSCSLFDY-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000992400195 666636024 /nfs/dbraw/zinc/63/60/24/666636024.db2.gz MRBVZPFIJJWUTN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000992400195 666636026 /nfs/dbraw/zinc/63/60/26/666636026.db2.gz MRBVZPFIJJWUTN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000992400195 666636028 /nfs/dbraw/zinc/63/60/28/666636028.db2.gz MRBVZPFIJJWUTN-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccsc1 ZINC000419405488 674761215 /nfs/dbraw/zinc/76/12/15/674761215.db2.gz HQWUWMUXTQXYQS-YOEHRIQHSA-N 2 1 350.488 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC000942276869 666719512 /nfs/dbraw/zinc/71/95/12/666719512.db2.gz ZNLPCLZPWQAXLO-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000447951701 666826000 /nfs/dbraw/zinc/82/60/00/666826000.db2.gz NMVHNSWMEPDNPC-HOTGVXAUSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000447951701 666826002 /nfs/dbraw/zinc/82/60/02/666826002.db2.gz NMVHNSWMEPDNPC-HOTGVXAUSA-N 2 1 352.479 0.086 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000945381491 666878751 /nfs/dbraw/zinc/87/87/51/666878751.db2.gz KCYGOMJAFYEAQE-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000945381491 666878754 /nfs/dbraw/zinc/87/87/54/666878754.db2.gz KCYGOMJAFYEAQE-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000945381491 666878756 /nfs/dbraw/zinc/87/87/56/666878756.db2.gz KCYGOMJAFYEAQE-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)CC[N@H+]1C ZINC000995830836 666892360 /nfs/dbraw/zinc/89/23/60/666892360.db2.gz IPTKHJQMXFDBDA-RBSFLKMASA-N 2 1 351.495 0.178 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287387 666905573 /nfs/dbraw/zinc/90/55/73/666905573.db2.gz ZOCKHBWULAXGIC-HOCLYGCPSA-N 2 1 352.479 0.750 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000996602887 666943356 /nfs/dbraw/zinc/94/33/56/666943356.db2.gz IERQELMQLTXLFY-HYVNUMGLSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000996604904 666945863 /nfs/dbraw/zinc/94/58/63/666945863.db2.gz XGALGMCQLNLCBG-SOUVJXGZSA-N 2 1 350.463 0.103 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276470 666958950 /nfs/dbraw/zinc/95/89/50/666958950.db2.gz CYENDMCNCZNBEW-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994222942 666979904 /nfs/dbraw/zinc/97/99/04/666979904.db2.gz QBYJEKJEJPLPJI-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000916843095 667032994 /nfs/dbraw/zinc/03/29/94/667032994.db2.gz TVHTYJBJCUTVSV-YESZJQIVSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916843095 667032999 /nfs/dbraw/zinc/03/29/99/667032999.db2.gz TVHTYJBJCUTVSV-YESZJQIVSA-N 2 1 352.479 0.402 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000916843095 667033002 /nfs/dbraw/zinc/03/30/02/667033002.db2.gz TVHTYJBJCUTVSV-YESZJQIVSA-N 2 1 352.479 0.402 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000998060917 667194877 /nfs/dbraw/zinc/19/48/77/667194877.db2.gz XWUUQLYGZKBGFL-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000998060917 667194879 /nfs/dbraw/zinc/19/48/79/667194879.db2.gz XWUUQLYGZKBGFL-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000998060917 667194882 /nfs/dbraw/zinc/19/48/82/667194882.db2.gz XWUUQLYGZKBGFL-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000998791143 667221774 /nfs/dbraw/zinc/22/17/74/667221774.db2.gz INKDWQOIACDPFU-LHUBUQBQSA-N 2 1 371.547 0.730 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002483517 667544181 /nfs/dbraw/zinc/54/41/81/667544181.db2.gz DNZHTOHBPFLDGD-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002483517 667544183 /nfs/dbraw/zinc/54/41/83/667544183.db2.gz DNZHTOHBPFLDGD-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002483517 667544185 /nfs/dbraw/zinc/54/41/85/667544185.db2.gz DNZHTOHBPFLDGD-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001002860607 667571568 /nfs/dbraw/zinc/57/15/68/667571568.db2.gz LRUGVDCMQXJNMJ-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001002858884 667571783 /nfs/dbraw/zinc/57/17/83/667571783.db2.gz IKGRYFJAXYNPRN-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033087161 667669135 /nfs/dbraw/zinc/66/91/35/667669135.db2.gz AWTUTZIJFQRQOU-KURKYZTESA-N 2 1 353.507 0.648 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001033096123 667671312 /nfs/dbraw/zinc/67/13/12/667671312.db2.gz JFUGBOKXRXVABA-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001033096123 667671315 /nfs/dbraw/zinc/67/13/15/667671315.db2.gz JFUGBOKXRXVABA-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001033096123 667671320 /nfs/dbraw/zinc/67/13/20/667671320.db2.gz JFUGBOKXRXVABA-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001033096123 667671322 /nfs/dbraw/zinc/67/13/22/667671322.db2.gz JFUGBOKXRXVABA-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642521 667700192 /nfs/dbraw/zinc/70/01/92/667700192.db2.gz NQMMBLXHPCRKGQ-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642521 667700193 /nfs/dbraw/zinc/70/01/93/667700193.db2.gz NQMMBLXHPCRKGQ-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642521 667700194 /nfs/dbraw/zinc/70/01/94/667700194.db2.gz NQMMBLXHPCRKGQ-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642521 667700195 /nfs/dbraw/zinc/70/01/95/667700195.db2.gz NQMMBLXHPCRKGQ-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001005407710 667740361 /nfs/dbraw/zinc/74/03/61/667740361.db2.gz QKUWFSFIOMTMFR-BPLDGKMQSA-N 2 1 350.463 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001034648197 667762137 /nfs/dbraw/zinc/76/21/37/667762137.db2.gz ZLNIMQVGZVQZSU-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001036603961 667791670 /nfs/dbraw/zinc/79/16/70/667791670.db2.gz VSGDETWYCWVPDJ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@H+](C)[C@@H]3CCNC3=O)CC2)CC[NH+]1C ZINC001036603961 667791672 /nfs/dbraw/zinc/79/16/72/667791672.db2.gz VSGDETWYCWVPDJ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@@H+](C)[C@@H]3CCNC3=O)CC2)CC[NH+]1C ZINC001036603961 667791677 /nfs/dbraw/zinc/79/16/77/667791677.db2.gz VSGDETWYCWVPDJ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP O=C(CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)NC1CCCCC1 ZINC000923324679 667825730 /nfs/dbraw/zinc/82/57/30/667825730.db2.gz YYJRUTKHKKFMSG-QGZVFWFLSA-N 2 1 350.507 0.431 20 0 FCADMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923397068 667831064 /nfs/dbraw/zinc/83/10/64/667831064.db2.gz BRLXRLNZLGXIGQ-HZPDHXFCSA-N 2 1 351.495 0.785 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923419385 667834042 /nfs/dbraw/zinc/83/40/42/667834042.db2.gz AZPQBWDHZVDUPM-NCOADZHNSA-N 2 1 351.491 0.497 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923492597 667841114 /nfs/dbraw/zinc/84/11/14/667841114.db2.gz QBWWYFAWRMEBEJ-KGLIPLIRSA-N 2 1 368.503 0.935 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518438 667843137 /nfs/dbraw/zinc/84/31/37/667843137.db2.gz GKRJLHKCQWVFQQ-LSDHHAIUSA-N 2 1 353.488 0.857 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923518778 667843195 /nfs/dbraw/zinc/84/31/95/667843195.db2.gz NRXVBXZTKAABOW-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923518778 667843198 /nfs/dbraw/zinc/84/31/98/667843198.db2.gz NRXVBXZTKAABOW-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=S)NCCC[NH+]2CCOCC2)CCCO1 ZINC000761555119 667891822 /nfs/dbraw/zinc/89/18/22/667891822.db2.gz YVOHBXHDYBENAR-INIZCTEOSA-N 2 1 358.552 0.674 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=S)NCCC[NH+]2CCOCC2)CCCO1 ZINC000761555119 667891825 /nfs/dbraw/zinc/89/18/25/667891825.db2.gz YVOHBXHDYBENAR-INIZCTEOSA-N 2 1 358.552 0.674 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=S)NCCC[NH+]2CCOCC2)CCCO1 ZINC000761555123 667891944 /nfs/dbraw/zinc/89/19/44/667891944.db2.gz YVOHBXHDYBENAR-MRXNPFEDSA-N 2 1 358.552 0.674 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=S)NCCC[NH+]2CCOCC2)CCCO1 ZINC000761555123 667891948 /nfs/dbraw/zinc/89/19/48/667891948.db2.gz YVOHBXHDYBENAR-MRXNPFEDSA-N 2 1 358.552 0.674 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1SC(=N)NC1=O ZINC000742608580 668038436 /nfs/dbraw/zinc/03/84/36/668038436.db2.gz FTQZBEZSWZSHJP-CHWSQXEVSA-N 2 1 355.508 0.417 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000787378635 668795775 /nfs/dbraw/zinc/79/57/75/668795775.db2.gz ZGTFRDRIXFPTRB-KRWDZBQOSA-N 2 1 350.507 0.384 20 0 FCADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795934342 669072116 /nfs/dbraw/zinc/07/21/16/669072116.db2.gz KSTQLHMBEXTQBF-GOSISDBHSA-N 2 1 353.507 0.916 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000822962057 669309692 /nfs/dbraw/zinc/30/96/92/669309692.db2.gz PULYRBZCVKDZIE-JKSUJKDBSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnns2)C3)O1 ZINC000964032650 675036561 /nfs/dbraw/zinc/03/65/61/675036561.db2.gz YWEXXOBQLSHKGS-OFVUARNUSA-N 2 1 365.503 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnns2)C3)O1 ZINC000964032650 675036563 /nfs/dbraw/zinc/03/65/63/675036563.db2.gz YWEXXOBQLSHKGS-OFVUARNUSA-N 2 1 365.503 0.774 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000840266445 669815033 /nfs/dbraw/zinc/81/50/33/669815033.db2.gz HHQPVUMEPVJRLN-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000840844082 670521749 /nfs/dbraw/zinc/52/17/49/670521749.db2.gz NQEUPSSUUWIQID-INIZCTEOSA-N 2 1 370.563 0.816 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000840844082 670521753 /nfs/dbraw/zinc/52/17/53/670521753.db2.gz NQEUPSSUUWIQID-INIZCTEOSA-N 2 1 370.563 0.816 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C1C[NH2+]C1 ZINC000841243598 670543709 /nfs/dbraw/zinc/54/37/09/670543709.db2.gz VYFGITCBVFRIAA-UHFFFAOYSA-N 2 1 365.865 0.461 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)NC(=O)N[C@@H]1C ZINC000842472395 670692204 /nfs/dbraw/zinc/69/22/04/670692204.db2.gz GGQVKPGSRZVCQS-OCCSQVGLSA-N 2 1 350.463 0.969 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261332 670789561 /nfs/dbraw/zinc/78/95/61/670789561.db2.gz IOBUPLUHFGCABU-OAHLLOKOSA-N 2 1 354.495 0.333 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(C[NH3+])CC1)C2=O ZINC000843344843 670801692 /nfs/dbraw/zinc/80/16/92/670801692.db2.gz ALKOYEBNGQRYEV-UHFFFAOYSA-N 2 1 351.451 0.189 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)NC(=O)N[C@H]1C ZINC000843388675 670811995 /nfs/dbraw/zinc/81/19/95/670811995.db2.gz WEXBEKGZTNNTBP-IHRRRGAJSA-N 2 1 350.463 0.826 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cn1 ZINC000844171976 670903962 /nfs/dbraw/zinc/90/39/62/670903962.db2.gz WNXMOOMYQYESGG-UHFFFAOYSA-N 2 1 363.443 0.681 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844190298 670908934 /nfs/dbraw/zinc/90/89/34/670908934.db2.gz DRVDODADGAFHGW-HZPDHXFCSA-N 2 1 366.531 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC000968014207 675178023 /nfs/dbraw/zinc/17/80/23/675178023.db2.gz RYOAOJIKRMAUFY-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC000968014207 675178025 /nfs/dbraw/zinc/17/80/25/675178025.db2.gz RYOAOJIKRMAUFY-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC000968014207 675178029 /nfs/dbraw/zinc/17/80/29/675178029.db2.gz RYOAOJIKRMAUFY-GVDBMIGSSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000849052372 671316261 /nfs/dbraw/zinc/31/62/61/671316261.db2.gz UZIVAKQEWKQVIY-RBSFLKMASA-N 2 1 359.540 0.693 20 0 FCADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[NH+]2CCC(O)CC2)CC1 ZINC000849117010 671318917 /nfs/dbraw/zinc/31/89/17/671318917.db2.gz PPSGENKAPVEYPC-UHFFFAOYSA-N 2 1 355.483 0.520 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509183 675935544 /nfs/dbraw/zinc/93/55/44/675935544.db2.gz CZBWCHUAATXNQX-CWRNSKLLSA-N 2 1 351.495 0.510 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000861540101 671970194 /nfs/dbraw/zinc/97/01/94/671970194.db2.gz KUKUPFXJOUFBMM-GFCCVEGCSA-N 2 1 367.881 0.836 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(=O)n(C)cn1 ZINC000888516162 672050629 /nfs/dbraw/zinc/05/06/29/672050629.db2.gz GLSUZMDYRJXSHR-AWEZNQCLSA-N 2 1 350.467 0.660 20 0 FCADMP O=C1[C@@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000903926946 675983207 /nfs/dbraw/zinc/98/32/07/675983207.db2.gz VWSPQMZSEBHBNA-AAEUAGOBSA-N 2 1 360.384 0.846 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(F)(F)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000865921620 672255683 /nfs/dbraw/zinc/25/56/83/672255683.db2.gz SUDKTVAIIXSMDV-UHFFFAOYSA-N 2 1 360.449 0.730 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3(C)CC3)CC2)CC[N@H+]1C ZINC001055587474 676025697 /nfs/dbraw/zinc/02/56/97/676025697.db2.gz DJUITJXYMDPEEJ-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923628935 672538711 /nfs/dbraw/zinc/53/87/11/672538711.db2.gz QKYGTUWZHZUOTC-VQFNDLOPSA-N 2 1 366.531 0.883 20 0 FCADMP COC(=O)[C@@]1(C)C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@@H]1C ZINC000872633722 672649367 /nfs/dbraw/zinc/64/93/67/672649367.db2.gz XLQSPTZIXOQCKV-LRDDRELGSA-N 2 1 352.435 0.091 20 0 FCADMP COC(=O)[C@@]1(C)C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@@H]1C ZINC000872633722 672649373 /nfs/dbraw/zinc/64/93/73/672649373.db2.gz XLQSPTZIXOQCKV-LRDDRELGSA-N 2 1 352.435 0.091 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001423576 676071553 /nfs/dbraw/zinc/07/15/53/676071553.db2.gz DUHSGEYFWRVAFD-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CCC(CC)[C@H](CNC(=O)[C@@]1(COC)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000876717152 672974562 /nfs/dbraw/zinc/97/45/62/672974562.db2.gz XUDJLEKHFABRNE-WMZOPIPTSA-N 2 1 357.495 0.245 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524154 676085432 /nfs/dbraw/zinc/08/54/32/676085432.db2.gz UOQIIPRIGONFIS-XHSDSOJGSA-N 2 1 350.507 0.905 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051624582 676107056 /nfs/dbraw/zinc/10/70/56/676107056.db2.gz RTWFJBVFCISRTC-VNQPRFMTSA-N 2 1 350.463 0.894 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883139163 673367972 /nfs/dbraw/zinc/36/79/72/673367972.db2.gz CMXHAXIOJIYPJX-KRWDZBQOSA-N 2 1 356.511 0.897 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883401283 673373539 /nfs/dbraw/zinc/37/35/39/673373539.db2.gz IXLOQSMNFMJHNJ-MRXNPFEDSA-N 2 1 356.536 0.978 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884494084 673457212 /nfs/dbraw/zinc/45/72/12/673457212.db2.gz KARVIHKTFLGHKB-JTDSTZFVSA-N 2 1 350.507 0.539 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884503847 673457745 /nfs/dbraw/zinc/45/77/45/673457745.db2.gz VFDQJYLLFZONOO-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCOCC1 ZINC000884544483 673460943 /nfs/dbraw/zinc/46/09/43/673460943.db2.gz HKWSKEFCPSMNRP-OAHLLOKOSA-N 2 1 354.495 0.191 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884555656 673461952 /nfs/dbraw/zinc/46/19/52/673461952.db2.gz WXGPGCPFPJMENM-FRIZHTMISA-N 2 1 350.507 0.809 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884577806 673463502 /nfs/dbraw/zinc/46/35/02/673463502.db2.gz MNXZTTJWUSOUPJ-YVSFHVDLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884577807 673463601 /nfs/dbraw/zinc/46/36/01/673463601.db2.gz MNXZTTJWUSOUPJ-YYIAUSFCSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884597843 673464766 /nfs/dbraw/zinc/46/47/66/673464766.db2.gz LTINBMJVEOWFRK-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884617168 673466380 /nfs/dbraw/zinc/46/63/80/673466380.db2.gz IYIVTHNCNALDPK-JHJVBQTASA-N 2 1 364.412 0.573 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000884616673 673466428 /nfs/dbraw/zinc/46/64/28/673466428.db2.gz AEWBURPGHDKNTD-SCVCMEIPSA-N 2 1 350.385 0.181 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000884631478 673468154 /nfs/dbraw/zinc/46/81/54/673468154.db2.gz LRKOBSNBOPMSBH-FRRDWIJNSA-N 2 1 362.396 0.183 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884637099 673468702 /nfs/dbraw/zinc/46/87/02/673468702.db2.gz AOMTUTQPNLSTJV-SFHVURJKSA-N 2 1 356.511 0.294 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@@H]21 ZINC000884708321 673475763 /nfs/dbraw/zinc/47/57/63/673475763.db2.gz UVZKTMGPVSMAKB-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885010909 673497883 /nfs/dbraw/zinc/49/78/83/673497883.db2.gz XALWPSYFJDUOQH-MUJYYYPQSA-N 2 1 350.507 0.966 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885291517 673513118 /nfs/dbraw/zinc/51/31/18/673513118.db2.gz OVDSATPWGKQNOE-KBPBESRZSA-N 2 1 360.449 0.680 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887080804 673620825 /nfs/dbraw/zinc/62/08/25/673620825.db2.gz FYVKGSOCKGELSK-QFBILLFUSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000926166213 673814596 /nfs/dbraw/zinc/81/45/96/673814596.db2.gz VAULERSZFAFKDS-VDCDIQELSA-N 2 1 353.507 0.551 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927636188 673872780 /nfs/dbraw/zinc/87/27/80/673872780.db2.gz KQOVSFRWPADDHB-INMHGKMJSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636188 673872785 /nfs/dbraw/zinc/87/27/85/673872785.db2.gz KQOVSFRWPADDHB-INMHGKMJSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636188 673872789 /nfs/dbraw/zinc/87/27/89/673872789.db2.gz KQOVSFRWPADDHB-INMHGKMJSA-N 2 1 354.495 0.336 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[nH+]c1 ZINC000929464167 673957423 /nfs/dbraw/zinc/95/74/23/673957423.db2.gz CBGWNSQSXOZWJQ-KRWDZBQOSA-N 2 1 365.503 0.472 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1CC(C)C ZINC000929525915 673961312 /nfs/dbraw/zinc/96/13/12/673961312.db2.gz MKRJHSZPNUWDJS-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1CC(C)C ZINC000929525915 673961313 /nfs/dbraw/zinc/96/13/13/673961313.db2.gz MKRJHSZPNUWDJS-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000929525915 673961316 /nfs/dbraw/zinc/96/13/16/673961316.db2.gz MKRJHSZPNUWDJS-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000929525915 673961317 /nfs/dbraw/zinc/96/13/17/673961317.db2.gz MKRJHSZPNUWDJS-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756372 673975403 /nfs/dbraw/zinc/97/54/03/673975403.db2.gz UYGZXQQWZMLICC-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756372 673975405 /nfs/dbraw/zinc/97/54/05/673975405.db2.gz UYGZXQQWZMLICC-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000929756372 673975406 /nfs/dbraw/zinc/97/54/06/673975406.db2.gz UYGZXQQWZMLICC-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000929756372 673975408 /nfs/dbraw/zinc/97/54/08/673975408.db2.gz UYGZXQQWZMLICC-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756377 673975474 /nfs/dbraw/zinc/97/54/74/673975474.db2.gz UYGZXQQWZMLICC-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000929756377 673975475 /nfs/dbraw/zinc/97/54/75/673975475.db2.gz UYGZXQQWZMLICC-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000929756377 673975478 /nfs/dbraw/zinc/97/54/78/673975478.db2.gz UYGZXQQWZMLICC-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000929756377 673975480 /nfs/dbraw/zinc/97/54/80/673975480.db2.gz UYGZXQQWZMLICC-LSDHHAIUSA-N 2 1 364.515 0.897 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000968737863 675228020 /nfs/dbraw/zinc/22/80/20/675228020.db2.gz HWORQMWJQRVELW-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001007368343 675288300 /nfs/dbraw/zinc/28/83/00/675288300.db2.gz GCVVSSVFGGMBAP-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001007368343 675288302 /nfs/dbraw/zinc/28/83/02/675288302.db2.gz GCVVSSVFGGMBAP-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001007368343 675288303 /nfs/dbraw/zinc/28/83/03/675288303.db2.gz GCVVSSVFGGMBAP-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001007368343 675288305 /nfs/dbraw/zinc/28/83/05/675288305.db2.gz GCVVSSVFGGMBAP-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001007368343 675288307 /nfs/dbraw/zinc/28/83/07/675288307.db2.gz GCVVSSVFGGMBAP-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001014501313 675391285 /nfs/dbraw/zinc/39/12/85/675391285.db2.gz JHSDMGKIPAQVCX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001014501313 675391287 /nfs/dbraw/zinc/39/12/87/675391287.db2.gz JHSDMGKIPAQVCX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001014501313 675391289 /nfs/dbraw/zinc/39/12/89/675391289.db2.gz JHSDMGKIPAQVCX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)N1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001015842076 675399330 /nfs/dbraw/zinc/39/93/30/675399330.db2.gz VIWXJGRLODOGQZ-AGERRDQYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001018870925 675417904 /nfs/dbraw/zinc/41/79/04/675417904.db2.gz SNORBKSUXKHNAW-SOUVJXGZSA-N 2 1 352.458 0.668 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001018870925 675417907 /nfs/dbraw/zinc/41/79/07/675417907.db2.gz SNORBKSUXKHNAW-SOUVJXGZSA-N 2 1 352.458 0.668 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020174694 675436509 /nfs/dbraw/zinc/43/65/09/675436509.db2.gz MKWWFBIWISQGMY-OVYGPGRDSA-N 2 1 371.547 0.778 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001041300256 675512378 /nfs/dbraw/zinc/51/23/78/675512378.db2.gz GKZHARDTOIJEQR-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001041300256 675512381 /nfs/dbraw/zinc/51/23/81/675512381.db2.gz GKZHARDTOIJEQR-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041300256 675512384 /nfs/dbraw/zinc/51/23/84/675512384.db2.gz GKZHARDTOIJEQR-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001041300256 675512386 /nfs/dbraw/zinc/51/23/86/675512386.db2.gz GKZHARDTOIJEQR-JZXOWHBKSA-N 2 1 371.547 0.686 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045091508 675650356 /nfs/dbraw/zinc/65/03/56/675650356.db2.gz ZDPPMKRZONUXEI-KWCYVHTRSA-N 2 1 353.492 0.646 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045091508 675650357 /nfs/dbraw/zinc/65/03/57/675650357.db2.gz ZDPPMKRZONUXEI-KWCYVHTRSA-N 2 1 353.492 0.646 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001045444722 675654005 /nfs/dbraw/zinc/65/40/05/675654005.db2.gz GRRJHMOPFZSNPE-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCF)CC3)O1 ZINC001045672354 675656719 /nfs/dbraw/zinc/65/67/19/675656719.db2.gz BVSASKBUGDVJAQ-OWCLPIDISA-N 2 1 357.470 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCF)CC3)O1 ZINC001045672354 675656720 /nfs/dbraw/zinc/65/67/20/675656720.db2.gz BVSASKBUGDVJAQ-OWCLPIDISA-N 2 1 357.470 0.662 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900014636 675659300 /nfs/dbraw/zinc/65/93/00/675659300.db2.gz MZKMSWRPARUWQI-SFHVURJKSA-N 2 1 354.539 0.876 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001046330811 675709136 /nfs/dbraw/zinc/70/91/36/675709136.db2.gz TYAYQQANOZOZHJ-FRQCXROJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001046330811 675709138 /nfs/dbraw/zinc/70/91/38/675709138.db2.gz TYAYQQANOZOZHJ-FRQCXROJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001046330811 675709139 /nfs/dbraw/zinc/70/91/39/675709139.db2.gz TYAYQQANOZOZHJ-FRQCXROJSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001046330811 675709141 /nfs/dbraw/zinc/70/91/41/675709141.db2.gz TYAYQQANOZOZHJ-FRQCXROJSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000900812530 675719850 /nfs/dbraw/zinc/71/98/50/675719850.db2.gz WDYBHZFYRHOOIC-MSOLQXFVSA-N 2 1 353.555 0.543 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902543036 675858877 /nfs/dbraw/zinc/85/88/77/675858877.db2.gz OSBQGTFLXGSRCN-OAHLLOKOSA-N 2 1 351.495 0.622 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC)CC[N@H+]1C ZINC001048525689 675859257 /nfs/dbraw/zinc/85/92/57/675859257.db2.gz IJVPGEQWZSWHLR-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)CC[NH+]1C ZINC001048525689 675859261 /nfs/dbraw/zinc/85/92/61/675859261.db2.gz IJVPGEQWZSWHLR-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)CC[NH+]1C ZINC001048525689 675859266 /nfs/dbraw/zinc/85/92/66/675859266.db2.gz IJVPGEQWZSWHLR-BQJWPVKWSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001048529211 675859584 /nfs/dbraw/zinc/85/95/84/675859584.db2.gz JKWFFMPDEPKIJA-CVWVJMLGSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)CC[NH+]1C ZINC001048529211 675859586 /nfs/dbraw/zinc/85/95/86/675859586.db2.gz JKWFFMPDEPKIJA-CVWVJMLGSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)CC[NH+]1C ZINC001048529211 675859588 /nfs/dbraw/zinc/85/95/88/675859588.db2.gz JKWFFMPDEPKIJA-CVWVJMLGSA-N 2 1 350.507 0.950 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112470379 1167769224 /nfs/dbraw/zinc/76/92/24/1167769224.db2.gz JYGJEZIXAKXSEX-BXWFABGCSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112470551 1167772961 /nfs/dbraw/zinc/77/29/61/1167772961.db2.gz NAVHEYFLUPQYBS-WMZOPIPTSA-N 2 1 357.462 0.702 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000988537242 1192267014 /nfs/dbraw/zinc/26/70/14/1192267014.db2.gz XSENVTBDUKQODP-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000988537242 1192267021 /nfs/dbraw/zinc/26/70/21/1192267021.db2.gz XSENVTBDUKQODP-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000988537242 1192267036 /nfs/dbraw/zinc/26/70/36/1192267036.db2.gz XSENVTBDUKQODP-BPQIPLTHSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969889682 1168185954 /nfs/dbraw/zinc/18/59/54/1168185954.db2.gz ZHNFIKBKPXEHCF-NUEKZKHPSA-N 2 1 359.474 0.962 20 0 FCADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001167095937 1168204755 /nfs/dbraw/zinc/20/47/55/1168204755.db2.gz OXGVAHZSYDNOMY-SQNIBIBYSA-N 2 1 358.486 0.658 20 0 FCADMP COC(=O)[C@H]1COCCC12CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001167163612 1168428013 /nfs/dbraw/zinc/42/80/13/1168428013.db2.gz VMJDQJXNWVIYET-CQSZACIVSA-N 2 1 361.446 0.420 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001021235598 1168848018 /nfs/dbraw/zinc/84/80/18/1168848018.db2.gz JWFZVBPJYSWTRT-BMGDILEWSA-N 2 1 371.485 0.915 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001021714242 1169921323 /nfs/dbraw/zinc/92/13/23/1169921323.db2.gz JSHQGQUONUQUTH-XLNGHYISSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001021714242 1169921325 /nfs/dbraw/zinc/92/13/25/1169921325.db2.gz JSHQGQUONUQUTH-XLNGHYISSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751547 1169978601 /nfs/dbraw/zinc/97/86/01/1169978601.db2.gz HZJIUQOABBWQSS-RCCFBDPRSA-N 2 1 371.485 0.593 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]21)C1CCC1 ZINC001021941945 1170330178 /nfs/dbraw/zinc/33/01/78/1170330178.db2.gz WMNBNTHLTNRUPM-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941945 1170330184 /nfs/dbraw/zinc/33/01/84/1170330184.db2.gz WMNBNTHLTNRUPM-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941945 1170330190 /nfs/dbraw/zinc/33/01/90/1170330190.db2.gz WMNBNTHLTNRUPM-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]32)cn1 ZINC001083220984 1170585596 /nfs/dbraw/zinc/58/55/96/1170585596.db2.gz DSKBTMTVSNORTC-ZWKOTPCHSA-N 2 1 361.490 0.770 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001087167235 1170771993 /nfs/dbraw/zinc/77/19/93/1170771993.db2.gz ZBDWBGOYGRAPHC-HYVNUMGLSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(F)cc3)C2)O1 ZINC001022275695 1170824136 /nfs/dbraw/zinc/82/41/36/1170824136.db2.gz QRYJQLLJHSGQJW-UWLPGLTFSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(F)cc3)C2)O1 ZINC001022275695 1170824139 /nfs/dbraw/zinc/82/41/39/1170824139.db2.gz QRYJQLLJHSGQJW-UWLPGLTFSA-N 2 1 365.449 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001022274794 1170824451 /nfs/dbraw/zinc/82/44/51/1170824451.db2.gz DZCNAGHBCDMHOW-BDLOOMQFSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001022274794 1170824455 /nfs/dbraw/zinc/82/44/55/1170824455.db2.gz DZCNAGHBCDMHOW-BDLOOMQFSA-N 2 1 364.490 0.096 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC001691217067 1170862846 /nfs/dbraw/zinc/86/28/46/1170862846.db2.gz VJEOTGIBYOCTMR-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC001691217067 1170862847 /nfs/dbraw/zinc/86/28/47/1170862847.db2.gz VJEOTGIBYOCTMR-UXLLHSPISA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001691285618 1171034776 /nfs/dbraw/zinc/03/47/76/1171034776.db2.gz CUCZKLBASPBCDI-BPQIPLTHSA-N 2 1 363.506 0.682 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001691287264 1171041475 /nfs/dbraw/zinc/04/14/75/1171041475.db2.gz IBLKYPRQYDBZMT-KBAYOESNSA-N 2 1 366.506 0.014 20 0 FCADMP CC1(C)CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)[NH2+]C1 ZINC000891952158 1171208125 /nfs/dbraw/zinc/20/81/25/1171208125.db2.gz CPOLQBWHROJCHJ-MRXNPFEDSA-N 2 1 368.522 0.945 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]32)CC1 ZINC001022514307 1171350120 /nfs/dbraw/zinc/35/01/20/1171350120.db2.gz IRHKHACPWFJTDG-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000891972797 1171368033 /nfs/dbraw/zinc/36/80/33/1171368033.db2.gz LISFSFMJJCPMJI-HKUYNNGSSA-N 2 1 359.518 0.959 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC000972253527 1171887398 /nfs/dbraw/zinc/88/73/98/1171887398.db2.gz PGWPQGVYGHRRHK-NUJGCVRESA-N 2 1 361.490 0.837 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4ccnc4C)[C@@H]3C2)CC[N@H+]1C ZINC000972257805 1171892911 /nfs/dbraw/zinc/89/29/11/1171892911.db2.gz UWYKWQVWSPLTCS-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)CC[N@@H+]1C ZINC000972257805 1171892915 /nfs/dbraw/zinc/89/29/15/1171892915.db2.gz UWYKWQVWSPLTCS-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)CC[N@H+]1C ZINC000972257805 1171892917 /nfs/dbraw/zinc/89/29/17/1171892917.db2.gz UWYKWQVWSPLTCS-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424789 1171972785 /nfs/dbraw/zinc/97/27/85/1171972785.db2.gz YLEYPJKHPGCDKM-HUUCEWRRSA-N 2 1 361.490 0.582 20 0 FCADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892283515 1171990634 /nfs/dbraw/zinc/99/06/34/1171990634.db2.gz QGSSNTZMXKYSHB-GOSISDBHSA-N 2 1 364.490 0.731 20 0 FCADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892283515 1171990637 /nfs/dbraw/zinc/99/06/37/1171990637.db2.gz QGSSNTZMXKYSHB-GOSISDBHSA-N 2 1 364.490 0.731 20 0 FCADMP Cc1ccccc1CN1CCO[C@H](CNC(=O)NC[C@H]2COCCN2)C1 ZINC000892288738 1172020438 /nfs/dbraw/zinc/02/04/38/1172020438.db2.gz GLBMFMOIBUECPH-ZWKOTPCHSA-N 2 1 362.474 0.483 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=[NH2+])cc3)[C@@H]2C1 ZINC001272134189 1192560649 /nfs/dbraw/zinc/56/06/49/1192560649.db2.gz HBQPOYFKECPLDR-DZGCQCFKSA-N 2 1 358.446 0.226 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=[NH2+])cc3)[C@@H]2C1 ZINC001272134189 1192560654 /nfs/dbraw/zinc/56/06/54/1192560654.db2.gz HBQPOYFKECPLDR-DZGCQCFKSA-N 2 1 358.446 0.226 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000988990968 1192617482 /nfs/dbraw/zinc/61/74/82/1192617482.db2.gz QMCRJXSFRKOAED-PVAVHDDUSA-N 2 1 359.474 0.639 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989062380 1192667933 /nfs/dbraw/zinc/66/79/33/1192667933.db2.gz VXHQSAYBWDIPIW-CVEARBPZSA-N 2 1 362.518 0.920 20 0 FCADMP COCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474693 1192776808 /nfs/dbraw/zinc/77/68/08/1192776808.db2.gz PMHPBKPXOULINO-FXQQTDPRSA-N 2 1 369.506 0.482 20 0 FCADMP COCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474693 1192776814 /nfs/dbraw/zinc/77/68/14/1192776814.db2.gz PMHPBKPXOULINO-FXQQTDPRSA-N 2 1 369.506 0.482 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1CC1 ZINC000897632333 1192838007 /nfs/dbraw/zinc/83/80/07/1192838007.db2.gz MYZQHIKNZMMIEO-OAHLLOKOSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000897649533 1192840037 /nfs/dbraw/zinc/84/00/37/1192840037.db2.gz TVEQATGXMLQKPS-HUUCEWRRSA-N 2 1 359.474 0.718 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000898005932 1192853782 /nfs/dbraw/zinc/85/37/82/1192853782.db2.gz LOZZMIMBQDOLHY-OAGGEKHMSA-N 2 1 371.485 0.860 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000898069728 1192856749 /nfs/dbraw/zinc/85/67/49/1192856749.db2.gz VDRGOOSMXSYEFA-DLBZAZTESA-N 2 1 373.501 0.967 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000842036389 1192861596 /nfs/dbraw/zinc/86/15/96/1192861596.db2.gz XSICMTXPYKWNPK-XJKSGUPXSA-N 2 1 370.457 0.778 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001691570548 1192887204 /nfs/dbraw/zinc/88/72/04/1192887204.db2.gz JEKIKKCLFLJXOG-SQNIBIBYSA-N 2 1 355.523 0.752 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001691578611 1192891627 /nfs/dbraw/zinc/89/16/27/1192891627.db2.gz GCUQUGUQHMURCT-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001691578611 1192891629 /nfs/dbraw/zinc/89/16/29/1192891629.db2.gz GCUQUGUQHMURCT-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001691578611 1192891630 /nfs/dbraw/zinc/89/16/30/1192891630.db2.gz GCUQUGUQHMURCT-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000550636550 1192891882 /nfs/dbraw/zinc/89/18/82/1192891882.db2.gz XHVHQWZXGLUEAA-QGZVFWFLSA-N 2 1 368.522 0.452 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565141 1178864176 /nfs/dbraw/zinc/86/41/76/1178864176.db2.gz NYAZYXRSFSKTIV-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565141 1178864178 /nfs/dbraw/zinc/86/41/78/1178864178.db2.gz NYAZYXRSFSKTIV-OTWHNJEPSA-N 2 1 361.486 0.938 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924493457 1179434533 /nfs/dbraw/zinc/43/45/33/1179434533.db2.gz ZFTLOTLUEVJGAF-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001023375068 1179501705 /nfs/dbraw/zinc/50/17/05/1179501705.db2.gz HCZATKVHTNHGNR-UHOSZYNNSA-N 2 1 367.534 0.944 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001023450097 1179750604 /nfs/dbraw/zinc/75/06/04/1179750604.db2.gz DSDSAEAIKCIZMG-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCc3cnn(C)c3)C2)O1 ZINC001023450097 1179750611 /nfs/dbraw/zinc/75/06/11/1179750611.db2.gz DSDSAEAIKCIZMG-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCc3cnn(C)c3)C2)O1 ZINC001023450097 1179750621 /nfs/dbraw/zinc/75/06/21/1179750621.db2.gz DSDSAEAIKCIZMG-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCc3cnn(C)c3)C2)O1 ZINC001023450097 1179750645 /nfs/dbraw/zinc/75/06/45/1179750645.db2.gz DSDSAEAIKCIZMG-SOLBZPMBSA-N 2 1 363.506 0.510 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023451582 1179758467 /nfs/dbraw/zinc/75/84/67/1179758467.db2.gz QVLQSZFAVVDYBR-QGPMSJSTSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451582 1179758474 /nfs/dbraw/zinc/75/84/74/1179758474.db2.gz QVLQSZFAVVDYBR-QGPMSJSTSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451582 1179758485 /nfs/dbraw/zinc/75/84/85/1179758485.db2.gz QVLQSZFAVVDYBR-QGPMSJSTSA-N 2 1 363.506 0.776 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451582 1179758508 /nfs/dbraw/zinc/75/85/08/1179758508.db2.gz QVLQSZFAVVDYBR-QGPMSJSTSA-N 2 1 363.506 0.776 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000972644302 1180153324 /nfs/dbraw/zinc/15/33/24/1180153324.db2.gz NLTHWRSMFXWFHI-IXDOHACOSA-N 2 1 371.485 0.916 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389539 1180211057 /nfs/dbraw/zinc/21/10/57/1180211057.db2.gz NMMBHIBYUVVWKZ-HOTGVXAUSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796912 1180325267 /nfs/dbraw/zinc/32/52/67/1180325267.db2.gz QKFPBQULOFZKQE-IXDOHACOSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023994118 1180730950 /nfs/dbraw/zinc/73/09/50/1180730950.db2.gz YYJATCNJQGGGNR-BZUAXINKSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001023993438 1180731400 /nfs/dbraw/zinc/73/14/00/1180731400.db2.gz FUMPQZJJDSCGEW-IJEWVQPXSA-N 2 1 361.494 0.676 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001024038573 1180805859 /nfs/dbraw/zinc/80/58/59/1180805859.db2.gz JGIAMMKRDFBUFC-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001024038573 1180805865 /nfs/dbraw/zinc/80/58/65/1180805865.db2.gz JGIAMMKRDFBUFC-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024037998 1180805931 /nfs/dbraw/zinc/80/59/31/1180805931.db2.gz DOTGQSMHUXJBJN-IXDOHACOSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024037998 1180805933 /nfs/dbraw/zinc/80/59/33/1180805933.db2.gz DOTGQSMHUXJBJN-IXDOHACOSA-N 2 1 363.506 0.950 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495538 1181345377 /nfs/dbraw/zinc/34/53/77/1181345377.db2.gz QVZIWPCVKBBMNR-CVEARBPZSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111939802 1181546820 /nfs/dbraw/zinc/54/68/20/1181546820.db2.gz TVYDTXIPUIZFDB-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC2CC2)C3)C1 ZINC001111939802 1181546835 /nfs/dbraw/zinc/54/68/35/1181546835.db2.gz TVYDTXIPUIZFDB-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111939802 1181546846 /nfs/dbraw/zinc/54/68/46/1181546846.db2.gz TVYDTXIPUIZFDB-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC2CC2)C3)C1 ZINC001111939802 1181546858 /nfs/dbraw/zinc/54/68/58/1181546858.db2.gz TVYDTXIPUIZFDB-UWVAXJGDSA-N 2 1 362.518 0.825 20 0 FCADMP C[NH+](C)C1(C)CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000892533192 1181760780 /nfs/dbraw/zinc/76/07/80/1181760780.db2.gz SJMFAZLDIAPLJF-KOHRHEQBSA-N 2 1 365.522 0.855 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274828 1181777041 /nfs/dbraw/zinc/77/70/41/1181777041.db2.gz BEQRDLFDMMOBAC-JCGIZDLHSA-N 2 1 371.441 0.586 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274828 1181777045 /nfs/dbraw/zinc/77/70/45/1181777045.db2.gz BEQRDLFDMMOBAC-JCGIZDLHSA-N 2 1 371.441 0.586 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274828 1181777049 /nfs/dbraw/zinc/77/70/49/1181777049.db2.gz BEQRDLFDMMOBAC-JCGIZDLHSA-N 2 1 371.441 0.586 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274828 1181777051 /nfs/dbraw/zinc/77/70/51/1181777051.db2.gz BEQRDLFDMMOBAC-JCGIZDLHSA-N 2 1 371.441 0.586 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001989 1181848061 /nfs/dbraw/zinc/84/80/61/1181848061.db2.gz WUOAMZIOMVNJSX-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000972994481 1181865177 /nfs/dbraw/zinc/86/51/77/1181865177.db2.gz LAGLWOPDHIFSJI-IXDOHACOSA-N 2 1 359.474 0.817 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892648677 1182003962 /nfs/dbraw/zinc/00/39/62/1182003962.db2.gz LMPRFQAOSONYID-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892648677 1182003970 /nfs/dbraw/zinc/00/39/70/1182003970.db2.gz LMPRFQAOSONYID-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892648677 1182003977 /nfs/dbraw/zinc/00/39/77/1182003977.db2.gz LMPRFQAOSONYID-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP CCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001745339222 1182038165 /nfs/dbraw/zinc/03/81/65/1182038165.db2.gz PXBOZMIITYXVPF-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000973331083 1182230946 /nfs/dbraw/zinc/23/09/46/1182230946.db2.gz HZJFFDFJEFGNPC-OXGONZEZSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000973331083 1182230949 /nfs/dbraw/zinc/23/09/49/1182230949.db2.gz HZJFFDFJEFGNPC-OXGONZEZSA-N 2 1 359.474 0.864 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104679569 1182360035 /nfs/dbraw/zinc/36/00/35/1182360035.db2.gz KSYREUMMEWFVDJ-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000892704758 1182383780 /nfs/dbraw/zinc/38/37/80/1182383780.db2.gz NZHQGIGSLIESTN-ZWKOTPCHSA-N 2 1 373.501 0.824 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000892704752 1182383831 /nfs/dbraw/zinc/38/38/31/1182383831.db2.gz NZHQGIGSLIESTN-MSOLQXFVSA-N 2 1 373.501 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCc5ncnn54)C[C@H]32)CC[N@H+]1C ZINC001025795210 1182847188 /nfs/dbraw/zinc/84/71/88/1182847188.db2.gz YKLZTHQPZNSWKB-HOIZKXCTSA-N 2 1 358.490 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC[NH+]1C ZINC001025795210 1182847189 /nfs/dbraw/zinc/84/71/89/1182847189.db2.gz YKLZTHQPZNSWKB-HOIZKXCTSA-N 2 1 358.490 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC[NH+]1C ZINC001025795210 1182847190 /nfs/dbraw/zinc/84/71/90/1182847190.db2.gz YKLZTHQPZNSWKB-HOIZKXCTSA-N 2 1 358.490 0.542 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818457 1182860530 /nfs/dbraw/zinc/86/05/30/1182860530.db2.gz SODDDFPBLOYBRX-XFMWHNAVSA-N 2 1 365.518 0.957 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818457 1182860532 /nfs/dbraw/zinc/86/05/32/1182860532.db2.gz SODDDFPBLOYBRX-XFMWHNAVSA-N 2 1 365.518 0.957 20 0 FCADMP CO[C@@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818457 1182860535 /nfs/dbraw/zinc/86/05/35/1182860535.db2.gz SODDDFPBLOYBRX-XFMWHNAVSA-N 2 1 365.518 0.957 20 0 FCADMP CO[C@@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818457 1182860536 /nfs/dbraw/zinc/86/05/36/1182860536.db2.gz SODDDFPBLOYBRX-XFMWHNAVSA-N 2 1 365.518 0.957 20 0 FCADMP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000893052165 1182869996 /nfs/dbraw/zinc/86/99/96/1182869996.db2.gz CLDAVCFPZGKEIS-KRWDZBQOSA-N 2 1 365.522 0.273 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052489 1182870112 /nfs/dbraw/zinc/87/01/12/1182870112.db2.gz FOOXRUPGSWUHQI-FGTMMUONSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052489 1182870114 /nfs/dbraw/zinc/87/01/14/1182870114.db2.gz FOOXRUPGSWUHQI-FGTMMUONSA-N 2 1 365.522 0.271 20 0 FCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052489 1182870116 /nfs/dbraw/zinc/87/01/16/1182870116.db2.gz FOOXRUPGSWUHQI-FGTMMUONSA-N 2 1 365.522 0.271 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063314 1182877822 /nfs/dbraw/zinc/87/78/22/1182877822.db2.gz INUAYYLWEWVNJJ-UVWFUSSVSA-N 2 1 356.470 0.252 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001026063314 1182877824 /nfs/dbraw/zinc/87/78/24/1182877824.db2.gz INUAYYLWEWVNJJ-UVWFUSSVSA-N 2 1 356.470 0.252 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001026063314 1182877825 /nfs/dbraw/zinc/87/78/25/1182877825.db2.gz INUAYYLWEWVNJJ-UVWFUSSVSA-N 2 1 356.470 0.252 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001026063314 1182877829 /nfs/dbraw/zinc/87/78/29/1182877829.db2.gz INUAYYLWEWVNJJ-UVWFUSSVSA-N 2 1 356.470 0.252 20 0 FCADMP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001104907949 1182989221 /nfs/dbraw/zinc/98/92/21/1182989221.db2.gz BFOGSYITYYMIHL-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010370 1183067451 /nfs/dbraw/zinc/06/74/51/1183067451.db2.gz IRXSLCRFLNOUFH-BRWVUGGUSA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105010193 1183067634 /nfs/dbraw/zinc/06/76/34/1183067634.db2.gz BJASBSDSXLGTGF-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000974273339 1183086527 /nfs/dbraw/zinc/08/65/27/1183086527.db2.gz PQSWUYDIJKHQFW-LVQVYYBASA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC000974273339 1183086540 /nfs/dbraw/zinc/08/65/40/1183086540.db2.gz PQSWUYDIJKHQFW-LVQVYYBASA-N 2 1 366.506 0.343 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001105041235 1183089767 /nfs/dbraw/zinc/08/97/67/1183089767.db2.gz AIVBRVDWDZHJOB-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001105041235 1183089774 /nfs/dbraw/zinc/08/97/74/1183089774.db2.gz AIVBRVDWDZHJOB-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)C1 ZINC001105041399 1183089809 /nfs/dbraw/zinc/08/98/09/1183089809.db2.gz CURGQCHSLRBYJL-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cncn3)C2)C1 ZINC001105041399 1183089815 /nfs/dbraw/zinc/08/98/15/1183089815.db2.gz CURGQCHSLRBYJL-BRWVUGGUSA-N 2 1 364.494 0.073 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCC4CC4)nn3)C2)O1 ZINC001105268365 1183167311 /nfs/dbraw/zinc/16/73/11/1183167311.db2.gz LHFBKSPMPBRZMG-CXAGYDPISA-N 2 1 362.478 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCC4CC4)nn3)C2)O1 ZINC001105268365 1183167316 /nfs/dbraw/zinc/16/73/16/1183167316.db2.gz LHFBKSPMPBRZMG-CXAGYDPISA-N 2 1 362.478 0.270 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CCCC[N@H+]4C)[C@@H]3C2)CC1 ZINC000974444445 1183215711 /nfs/dbraw/zinc/21/57/11/1183215711.db2.gz NAYNHSMPOCINAA-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001026853822 1183424726 /nfs/dbraw/zinc/42/47/26/1183424726.db2.gz SPJMNRKKLLCBJB-QLFBSQMISA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001026853822 1183424728 /nfs/dbraw/zinc/42/47/28/1183424728.db2.gz SPJMNRKKLLCBJB-QLFBSQMISA-N 2 1 363.510 0.706 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001026853886 1183425395 /nfs/dbraw/zinc/42/53/95/1183425395.db2.gz VDAZHXZPWQVBCP-QLFBSQMISA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001026853886 1183425399 /nfs/dbraw/zinc/42/53/99/1183425399.db2.gz VDAZHXZPWQVBCP-QLFBSQMISA-N 2 1 365.478 0.537 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001026916170 1183490336 /nfs/dbraw/zinc/49/03/36/1183490336.db2.gz CHTWCHYKIBZKIW-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001026916170 1183490338 /nfs/dbraw/zinc/49/03/38/1183490338.db2.gz CHTWCHYKIBZKIW-DJIMGWMZSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000975226709 1183788698 /nfs/dbraw/zinc/78/86/98/1183788698.db2.gz SDSLZRNJBMQULD-CGTJXYLNSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975227986 1183789871 /nfs/dbraw/zinc/78/98/71/1183789871.db2.gz XQXWGHAIYRFWEK-FRFSOERESA-N 2 1 359.474 0.662 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)C1 ZINC000975718019 1185634595 /nfs/dbraw/zinc/63/45/95/1185634595.db2.gz BKITWAOZARADSG-JQHSSLGASA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975718965 1185640777 /nfs/dbraw/zinc/64/07/77/1185640777.db2.gz DYDWCRPIGXPLRY-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000975718965 1185640783 /nfs/dbraw/zinc/64/07/83/1185640783.db2.gz DYDWCRPIGXPLRY-ULQDDVLXSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975720118 1185645148 /nfs/dbraw/zinc/64/51/48/1185645148.db2.gz QDQABMZREQQGMB-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000975720118 1185645150 /nfs/dbraw/zinc/64/51/50/1185645150.db2.gz QDQABMZREQQGMB-BBWFWOEESA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975810328 1185814368 /nfs/dbraw/zinc/81/43/68/1185814368.db2.gz DZRNLLXAHJDLSS-IRXDYDNUSA-N 2 1 371.485 0.737 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000976494272 1185966616 /nfs/dbraw/zinc/96/66/16/1185966616.db2.gz HQUMLXYXWYISQZ-YKPDLDGBSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000978979875 1186041629 /nfs/dbraw/zinc/04/16/29/1186041629.db2.gz VNVNHNBFBPEXEH-BPKGMFCQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)O1 ZINC000978979875 1186041634 /nfs/dbraw/zinc/04/16/34/1186041634.db2.gz VNVNHNBFBPEXEH-BPKGMFCQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC000978979875 1186041637 /nfs/dbraw/zinc/04/16/37/1186041637.db2.gz VNVNHNBFBPEXEH-BPKGMFCQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000978979875 1186041641 /nfs/dbraw/zinc/04/16/41/1186041641.db2.gz VNVNHNBFBPEXEH-BPKGMFCQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000979872589 1186133166 /nfs/dbraw/zinc/13/31/66/1186133166.db2.gz LLFAMXOEPJLKMH-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000979872589 1186133171 /nfs/dbraw/zinc/13/31/71/1186133171.db2.gz LLFAMXOEPJLKMH-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979872589 1186133178 /nfs/dbraw/zinc/13/31/78/1186133178.db2.gz LLFAMXOEPJLKMH-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979872589 1186133183 /nfs/dbraw/zinc/13/31/83/1186133183.db2.gz LLFAMXOEPJLKMH-HDKMNVHJSA-N 2 1 366.506 0.057 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000979871314 1186133391 /nfs/dbraw/zinc/13/33/91/1186133391.db2.gz JAPYLIKEVFKRGL-RTKZEXODSA-N 2 1 362.518 0.679 20 0 FCADMP CCn1cc(CC[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC001027965372 1186240318 /nfs/dbraw/zinc/24/03/18/1186240318.db2.gz ADDUCYQDAWJMBH-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001027965372 1186240325 /nfs/dbraw/zinc/24/03/25/1186240325.db2.gz ADDUCYQDAWJMBH-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001027965372 1186240335 /nfs/dbraw/zinc/24/03/35/1186240335.db2.gz ADDUCYQDAWJMBH-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001027965372 1186240340 /nfs/dbraw/zinc/24/03/40/1186240340.db2.gz ADDUCYQDAWJMBH-BPQIPLTHSA-N 2 1 363.506 0.745 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC000981199871 1186348980 /nfs/dbraw/zinc/34/89/80/1186348980.db2.gz DUFXYNPCRBKEEM-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC000981199871 1186348987 /nfs/dbraw/zinc/34/89/87/1186348987.db2.gz DUFXYNPCRBKEEM-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](C[C@H](O)Cn3cccn3)CC2)CC[NH+]1C ZINC000981199871 1186348995 /nfs/dbraw/zinc/34/89/95/1186348995.db2.gz DUFXYNPCRBKEEM-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981684283 1186485919 /nfs/dbraw/zinc/48/59/19/1186485919.db2.gz HQNVYAVWZFZPFN-GVDBMIGSSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001691501310 1186684608 /nfs/dbraw/zinc/68/46/08/1186684608.db2.gz MSNPDECWTVWOOT-MUIFIZLQSA-N 2 1 366.506 0.106 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839629 1187534209 /nfs/dbraw/zinc/53/42/09/1187534209.db2.gz LTCDVNXWNGEABO-IBGZPJMESA-N 2 1 358.490 0.543 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582161 /nfs/dbraw/zinc/58/21/61/1187582161.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 1 360.458 0.454 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582163 /nfs/dbraw/zinc/58/21/63/1187582163.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 1 360.458 0.454 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3nc(C4CC4)nn3C)C2)CC[N@H+]1C ZINC001028548436 1187601428 /nfs/dbraw/zinc/60/14/28/1187601428.db2.gz AKCHJFJBEKYISG-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000983016244 1187815860 /nfs/dbraw/zinc/81/58/60/1187815860.db2.gz STPYDASXBIQSCL-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(=O)NC(C)(C)C)CC2)CC[N@H+]1C ZINC001269415286 1187847487 /nfs/dbraw/zinc/84/74/87/1187847487.db2.gz CBNZILIPXXCXKA-CHWSQXEVSA-N 2 1 367.494 0.189 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000549965252 1187854954 /nfs/dbraw/zinc/85/49/54/1187854954.db2.gz FXDMZERHKSZYCD-INIZCTEOSA-N 2 1 370.538 0.525 20 0 FCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000549965252 1187854957 /nfs/dbraw/zinc/85/49/57/1187854957.db2.gz FXDMZERHKSZYCD-INIZCTEOSA-N 2 1 370.538 0.525 20 0 FCADMP CN(CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1)C(N)=[NH2+] ZINC001269992340 1187961763 /nfs/dbraw/zinc/96/17/63/1187961763.db2.gz HLUGJFFXGUQTOG-GOSISDBHSA-N 2 1 360.462 0.427 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001270176496 1188042172 /nfs/dbraw/zinc/04/21/72/1188042172.db2.gz YUMIXKGZTDLZKF-LJQANCHMSA-N 2 1 364.490 0.116 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001270176496 1188042177 /nfs/dbraw/zinc/04/21/77/1188042177.db2.gz YUMIXKGZTDLZKF-LJQANCHMSA-N 2 1 364.490 0.116 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549994910 1188066239 /nfs/dbraw/zinc/06/62/39/1188066239.db2.gz PRLBMGOUNZTXFC-IYBDPMFKSA-N 2 1 368.522 0.591 20 0 FCADMP Cn1cncc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001270488269 1188170686 /nfs/dbraw/zinc/17/06/86/1188170686.db2.gz BAIJLFYURIAGTQ-ZBFHGGJFSA-N 2 1 359.474 0.617 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)c3cccn4c[nH+]cc34)C2)C1=O ZINC001270830633 1188327468 /nfs/dbraw/zinc/32/74/68/1188327468.db2.gz UWBVMIWNQOJNGQ-IBGZPJMESA-N 2 1 355.442 0.961 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000983803357 1188348041 /nfs/dbraw/zinc/34/80/41/1188348041.db2.gz AMVXOUJDMUSNHB-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000983803357 1188348042 /nfs/dbraw/zinc/34/80/42/1188348042.db2.gz AMVXOUJDMUSNHB-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000550413852 1188367346 /nfs/dbraw/zinc/36/73/46/1188367346.db2.gz DQNGVLXCMBLLAO-QAPCUYQASA-N 2 1 360.502 0.874 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000550457074 1189496773 /nfs/dbraw/zinc/49/67/73/1189496773.db2.gz IQCFSEPEECPTHF-GVDBMIGSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000550457074 1189496801 /nfs/dbraw/zinc/49/68/01/1189496801.db2.gz IQCFSEPEECPTHF-GVDBMIGSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000550457074 1189496814 /nfs/dbraw/zinc/49/68/14/1189496814.db2.gz IQCFSEPEECPTHF-GVDBMIGSSA-N 2 1 368.522 0.258 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000550474642 1189621090 /nfs/dbraw/zinc/62/10/90/1189621090.db2.gz UGOMUKMPRAJBRP-INIZCTEOSA-N 2 1 374.485 0.596 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCN1CCNC1=O ZINC001087642400 1189691339 /nfs/dbraw/zinc/69/13/39/1189691339.db2.gz MZHOQBCMYQKQJB-DLBZAZTESA-N 2 1 370.457 0.942 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cncc2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087659105 1189710978 /nfs/dbraw/zinc/71/09/78/1189710978.db2.gz MUGJWFMRHFVDLT-IXDOHACOSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087659105 1189710989 /nfs/dbraw/zinc/71/09/89/1189710989.db2.gz MUGJWFMRHFVDLT-IXDOHACOSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087659105 1189710996 /nfs/dbraw/zinc/71/09/96/1189710996.db2.gz MUGJWFMRHFVDLT-IXDOHACOSA-N 2 1 360.462 0.418 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087797991 1189828561 /nfs/dbraw/zinc/82/85/61/1189828561.db2.gz VBAUHLMDHDBTLU-LSDHHAIUSA-N 2 1 362.474 0.200 20 0 FCADMP CN(c1ccccc1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000895314853 1189832735 /nfs/dbraw/zinc/83/27/35/1189832735.db2.gz RVRTVLCDTUISGI-CALCHBBNSA-N 2 1 373.501 0.236 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001087830444 1189841947 /nfs/dbraw/zinc/84/19/47/1189841947.db2.gz HCZXHWNQJRNEBS-OWCLPIDISA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001087830444 1189841949 /nfs/dbraw/zinc/84/19/49/1189841949.db2.gz HCZXHWNQJRNEBS-OWCLPIDISA-N 2 1 357.462 0.940 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001087830444 1189841951 /nfs/dbraw/zinc/84/19/51/1189841951.db2.gz HCZXHWNQJRNEBS-OWCLPIDISA-N 2 1 357.462 0.940 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964654 1190011444 /nfs/dbraw/zinc/01/14/44/1190011444.db2.gz VFBZBDNNJALRHH-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964654 1190011445 /nfs/dbraw/zinc/01/14/45/1190011445.db2.gz VFBZBDNNJALRHH-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087964654 1190011449 /nfs/dbraw/zinc/01/14/49/1190011449.db2.gz VFBZBDNNJALRHH-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087967983 1190025589 /nfs/dbraw/zinc/02/55/89/1190025589.db2.gz VBWCVOVNUDAUFX-SQNIBIBYSA-N 2 1 358.490 0.400 20 0 FCADMP CO[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969575 1190026174 /nfs/dbraw/zinc/02/61/74/1190026174.db2.gz CRWBGFLITZWNEW-ZACQAIPSSA-N 2 1 363.506 0.874 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CCc1nccn1C ZINC000984697430 1190074289 /nfs/dbraw/zinc/07/42/89/1190074289.db2.gz URHOIJIEFRNNKX-ARFHVFGLSA-N 2 1 361.490 0.943 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1C(=O)CCc1nccn1C ZINC000984697430 1190074294 /nfs/dbraw/zinc/07/42/94/1190074294.db2.gz URHOIJIEFRNNKX-ARFHVFGLSA-N 2 1 361.490 0.943 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992811 1190143599 /nfs/dbraw/zinc/14/35/99/1190143599.db2.gz NRISTQRRJKHMNR-XHSDSOJGSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995059 1190148446 /nfs/dbraw/zinc/14/84/46/1190148446.db2.gz QEIQVCUDYBUVMV-IJEWVQPXSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995059 1190148447 /nfs/dbraw/zinc/14/84/47/1190148447.db2.gz QEIQVCUDYBUVMV-IJEWVQPXSA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995059 1190148452 /nfs/dbraw/zinc/14/84/52/1190148452.db2.gz QEIQVCUDYBUVMV-IJEWVQPXSA-N 2 1 362.474 0.056 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4ccnc4C3)C[C@@H]2C1)N1CCC1 ZINC001088018608 1190231191 /nfs/dbraw/zinc/23/11/91/1190231191.db2.gz DTJKUIOJLVMYRL-BBWFWOEESA-N 2 1 371.485 0.458 20 0 FCADMP O=C(CN1CC[C@@H]2CN(C(=O)[C@H]3CCn4ccnc4C3)C[C@@H]2C1)N1CCC1 ZINC001088018608 1190231202 /nfs/dbraw/zinc/23/12/02/1190231202.db2.gz DTJKUIOJLVMYRL-BBWFWOEESA-N 2 1 371.485 0.458 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1)N1CCC1 ZINC001088028005 1190268510 /nfs/dbraw/zinc/26/85/10/1190268510.db2.gz PTRKEDBBRHNQLE-SJORKVTESA-N 2 1 367.453 0.961 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037410 1190291718 /nfs/dbraw/zinc/29/17/18/1190291718.db2.gz LFFBHCXALPLNOD-ZNMIVQPWSA-N 2 1 368.441 0.535 20 0 FCADMP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001088049545 1190308973 /nfs/dbraw/zinc/30/89/73/1190308973.db2.gz MRVPOJSRFOXMIZ-XDNAFOTISA-N 2 1 369.481 0.616 20 0 FCADMP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1C[C@H]2CCN(CCF)C[C@H]2C1 ZINC001088049545 1190308977 /nfs/dbraw/zinc/30/89/77/1190308977.db2.gz MRVPOJSRFOXMIZ-XDNAFOTISA-N 2 1 369.481 0.616 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090680 1190542597 /nfs/dbraw/zinc/54/25/97/1190542597.db2.gz BFQRWJNRCFQRSF-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105197 1190591124 /nfs/dbraw/zinc/59/11/24/1190591124.db2.gz XTUOFNRLGRPYAO-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105197 1190591136 /nfs/dbraw/zinc/59/11/36/1190591136.db2.gz XTUOFNRLGRPYAO-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105197 1190591144 /nfs/dbraw/zinc/59/11/44/1190591144.db2.gz XTUOFNRLGRPYAO-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP Cn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105197 1190591157 /nfs/dbraw/zinc/59/11/57/1190591157.db2.gz XTUOFNRLGRPYAO-CVEARBPZSA-N 2 1 360.506 0.827 20 0 FCADMP COC[C@@H](NC(=O)[C@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2)C(=O)OC ZINC001276756096 1224107851 /nfs/dbraw/zinc/10/78/51/1224107851.db2.gz HWLXWIHEJXMDGN-HZPDHXFCSA-N 2 1 367.490 0.487 20 0 FCADMP C[C@@H]1C[C@H]([N@@H+]2CCc3ncc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168128999 1190868945 /nfs/dbraw/zinc/86/89/45/1190868945.db2.gz WDHYLGIEKDLFBG-GDBMZVCRSA-N 2 1 372.473 0.972 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]3C2)CCC1 ZINC000986256649 1190933660 /nfs/dbraw/zinc/93/36/60/1190933660.db2.gz KGDSLMCHCRGAMW-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)[C@@H]2C1)N1CCC1 ZINC001075882314 1191058839 /nfs/dbraw/zinc/05/88/39/1191058839.db2.gz GHDACIFUPSQOPS-ARFHVFGLSA-N 2 1 357.458 0.526 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986681995 1191075311 /nfs/dbraw/zinc/07/53/11/1191075311.db2.gz WKWCJDYGJPZJRT-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001075886488 1191117478 /nfs/dbraw/zinc/11/74/78/1191117478.db2.gz VLQURXKLKISLCV-CGTJXYLNSA-N 2 1 361.490 0.261 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001075886488 1191117479 /nfs/dbraw/zinc/11/74/79/1191117479.db2.gz VLQURXKLKISLCV-CGTJXYLNSA-N 2 1 361.490 0.261 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059857977 1191151980 /nfs/dbraw/zinc/15/19/80/1191151980.db2.gz LTTWGRNTXRNRQS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059857977 1191151982 /nfs/dbraw/zinc/15/19/82/1191151982.db2.gz LTTWGRNTXRNRQS-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059857978 1191152098 /nfs/dbraw/zinc/15/20/98/1191152098.db2.gz LTTWGRNTXRNRQS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059857978 1191152099 /nfs/dbraw/zinc/15/20/99/1191152099.db2.gz LTTWGRNTXRNRQS-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217914962 1224132227 /nfs/dbraw/zinc/13/22/27/1224132227.db2.gz GQGWXIMXEOJAEQ-GBESFXJTSA-N 2 1 365.518 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217914962 1224132229 /nfs/dbraw/zinc/13/22/29/1224132229.db2.gz GQGWXIMXEOJAEQ-GBESFXJTSA-N 2 1 365.518 0.912 20 0 FCADMP CCN(CC)C(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933174 1224132540 /nfs/dbraw/zinc/13/25/40/1224132540.db2.gz SWUYQZIXMCBDSI-WCXIOVBPSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1cnc2cc(C(=O)N[C@H]3CCN(CCN4CCNC4=O)[C@@H]3C)ccn12 ZINC001088567498 1191202806 /nfs/dbraw/zinc/20/28/06/1191202806.db2.gz RMXZAGAWNXCHQP-ZBFHGGJFSA-N 2 1 370.457 0.861 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCCN1CCCC1=O ZINC001088568703 1191206664 /nfs/dbraw/zinc/20/66/64/1191206664.db2.gz RGTALIHWYCRYRU-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001088572016 1191207851 /nfs/dbraw/zinc/20/78/51/1191207851.db2.gz VDHXLPBADGNYIO-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001088572016 1191207853 /nfs/dbraw/zinc/20/78/53/1191207853.db2.gz VDHXLPBADGNYIO-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001218101018 1224139922 /nfs/dbraw/zinc/13/99/22/1224139922.db2.gz GKYAZFIUFUCDDB-FGTMMUONSA-N 2 1 369.506 0.170 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCCO)C[C@@H]21 ZINC001218101018 1224139925 /nfs/dbraw/zinc/13/99/25/1224139925.db2.gz GKYAZFIUFUCDDB-FGTMMUONSA-N 2 1 369.506 0.170 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218101018 1224139928 /nfs/dbraw/zinc/13/99/28/1224139928.db2.gz GKYAZFIUFUCDDB-FGTMMUONSA-N 2 1 369.506 0.170 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218101018 1224139930 /nfs/dbraw/zinc/13/99/30/1224139930.db2.gz GKYAZFIUFUCDDB-FGTMMUONSA-N 2 1 369.506 0.170 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001218178138 1224145313 /nfs/dbraw/zinc/14/53/13/1224145313.db2.gz WIWWCTSVNWXTAV-GDNZZTSVSA-N 2 1 364.446 0.765 20 0 FCADMP COCC[NH+]1CCC(Oc2c(C(=O)OC)nc(C(C)(C)[NH3+])[nH]c2=O)CC1 ZINC001218318943 1224153508 /nfs/dbraw/zinc/15/35/08/1224153508.db2.gz DEFFXEPYSLXKEN-UHFFFAOYSA-N 2 1 368.434 0.652 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218362802 1224155954 /nfs/dbraw/zinc/15/59/54/1224155954.db2.gz DSWJSJBOAJMSIY-IXDOHACOSA-N 2 1 369.506 0.170 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000550658728 1193725016 /nfs/dbraw/zinc/72/50/16/1193725016.db2.gz QRCWPBBCZSWSFP-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000550658728 1193725018 /nfs/dbraw/zinc/72/50/18/1193725018.db2.gz QRCWPBBCZSWSFP-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000550658728 1193725021 /nfs/dbraw/zinc/72/50/21/1193725021.db2.gz QRCWPBBCZSWSFP-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000550658728 1193725025 /nfs/dbraw/zinc/72/50/25/1193725025.db2.gz QRCWPBBCZSWSFP-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550653330 1193725397 /nfs/dbraw/zinc/72/53/97/1193725397.db2.gz ALDSDDKPCOSXKJ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550653330 1193725404 /nfs/dbraw/zinc/72/54/04/1193725404.db2.gz ALDSDDKPCOSXKJ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550653330 1193725409 /nfs/dbraw/zinc/72/54/09/1193725409.db2.gz ALDSDDKPCOSXKJ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550653330 1193725414 /nfs/dbraw/zinc/72/54/14/1193725414.db2.gz ALDSDDKPCOSXKJ-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000550656018 1193726274 /nfs/dbraw/zinc/72/62/74/1193726274.db2.gz BWXGJSYKNFXXCA-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000550656018 1193726277 /nfs/dbraw/zinc/72/62/77/1193726277.db2.gz BWXGJSYKNFXXCA-IBGZPJMESA-N 2 1 370.497 0.858 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001691582156 1193736203 /nfs/dbraw/zinc/73/62/03/1193736203.db2.gz SLQPHHICDWBUHH-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001691582156 1193736206 /nfs/dbraw/zinc/73/62/06/1193736206.db2.gz SLQPHHICDWBUHH-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1 ZINC001691582156 1193736207 /nfs/dbraw/zinc/73/62/07/1193736207.db2.gz SLQPHHICDWBUHH-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550899671 1193819009 /nfs/dbraw/zinc/81/90/09/1193819009.db2.gz XOYQRVLJFVHTNA-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466486 1193819877 /nfs/dbraw/zinc/81/98/77/1193819877.db2.gz WQVUVEYAJFIRIH-OTWHNJEPSA-N 2 1 359.470 0.569 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466486 1193819878 /nfs/dbraw/zinc/81/98/78/1193819878.db2.gz WQVUVEYAJFIRIH-OTWHNJEPSA-N 2 1 359.470 0.569 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551135278 1193834933 /nfs/dbraw/zinc/83/49/33/1193834933.db2.gz BZXPVMHTDWKZLK-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)n1 ZINC001218550890 1224171520 /nfs/dbraw/zinc/17/15/20/1224171520.db2.gz SANUWCDHBGNLFL-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)n1 ZINC001218550890 1224171522 /nfs/dbraw/zinc/17/15/22/1224171522.db2.gz SANUWCDHBGNLFL-ZWKOTPCHSA-N 2 1 363.506 0.753 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001218556797 1224172993 /nfs/dbraw/zinc/17/29/93/1224172993.db2.gz WBZLUXXMMUHOQX-HNNXBMFYSA-N 2 1 362.478 0.262 20 0 FCADMP Cc1cc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757408 1193892279 /nfs/dbraw/zinc/89/22/79/1193892279.db2.gz XGQHTWDRLDJVRL-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757408 1193892280 /nfs/dbraw/zinc/89/22/80/1193892280.db2.gz XGQHTWDRLDJVRL-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757408 1193892281 /nfs/dbraw/zinc/89/22/81/1193892281.db2.gz XGQHTWDRLDJVRL-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757408 1193892284 /nfs/dbraw/zinc/89/22/84/1193892284.db2.gz XGQHTWDRLDJVRL-KDEDCYCISA-N 2 1 360.458 0.925 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CCOC1CCC1 ZINC001088757254 1193892497 /nfs/dbraw/zinc/89/24/97/1193892497.db2.gz PSKINMBUFFXMMZ-AHZKFYHPSA-N 2 1 363.502 0.998 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1CCOC1CCC1 ZINC001088757254 1193892501 /nfs/dbraw/zinc/89/25/01/1193892501.db2.gz PSKINMBUFFXMMZ-AHZKFYHPSA-N 2 1 363.502 0.998 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CCOC1CCC1 ZINC001088757254 1193892502 /nfs/dbraw/zinc/89/25/02/1193892502.db2.gz PSKINMBUFFXMMZ-AHZKFYHPSA-N 2 1 363.502 0.998 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C(N)=O)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474414 1193906892 /nfs/dbraw/zinc/90/68/92/1193906892.db2.gz FXDCUAWHGQHBQC-MLHJIOFPSA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474414 1193906894 /nfs/dbraw/zinc/90/68/94/1193906894.db2.gz FXDCUAWHGQHBQC-MLHJIOFPSA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474414 1193906900 /nfs/dbraw/zinc/90/69/00/1193906900.db2.gz FXDCUAWHGQHBQC-MLHJIOFPSA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083474414 1193906903 /nfs/dbraw/zinc/90/69/03/1193906903.db2.gz FXDCUAWHGQHBQC-MLHJIOFPSA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083474414 1193906908 /nfs/dbraw/zinc/90/69/08/1193906908.db2.gz FXDCUAWHGQHBQC-MLHJIOFPSA-N 2 1 374.485 0.177 20 0 FCADMP C[NH2+][C@H](C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)OC(C)(C)C ZINC001218580974 1224176772 /nfs/dbraw/zinc/17/67/72/1224176772.db2.gz ZKVPMRFCWRRIBL-HIFRSBDPSA-N 2 1 364.494 0.959 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCN1CCNC1=O ZINC001088770235 1193937148 /nfs/dbraw/zinc/93/71/48/1193937148.db2.gz DIVZSYMOJLMOHN-HYVNUMGLSA-N 2 1 363.506 0.465 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000552540071 1193938541 /nfs/dbraw/zinc/93/85/41/1193938541.db2.gz LMSOPAIHIOENFA-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000552690340 1193947799 /nfs/dbraw/zinc/94/77/99/1193947799.db2.gz OWTGMJUXRGUDIF-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000552969371 1193962215 /nfs/dbraw/zinc/96/22/15/1193962215.db2.gz JIHHNIDBDHMKFU-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552969371 1193962216 /nfs/dbraw/zinc/96/22/16/1193962216.db2.gz JIHHNIDBDHMKFU-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000552969371 1193962217 /nfs/dbraw/zinc/96/22/17/1193962217.db2.gz JIHHNIDBDHMKFU-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553097358 1193971549 /nfs/dbraw/zinc/97/15/49/1193971549.db2.gz ZRUYAFWIUROQLS-OAHLLOKOSA-N 2 1 370.538 0.839 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)N3CCOCC3)CC2)CC1 ZINC000553222580 1193980859 /nfs/dbraw/zinc/98/08/59/1193980859.db2.gz AIZJUTWHGIUUCX-UHFFFAOYSA-N 2 1 366.506 0.158 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000553396869 1193993714 /nfs/dbraw/zinc/99/37/14/1193993714.db2.gz JQXSWGWDIUVHSI-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630951 1224185758 /nfs/dbraw/zinc/18/57/58/1224185758.db2.gz NVOWJHUVBZNTRG-BPQIPLTHSA-N 2 1 362.474 0.702 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630951 1224185760 /nfs/dbraw/zinc/18/57/60/1224185760.db2.gz NVOWJHUVBZNTRG-BPQIPLTHSA-N 2 1 362.474 0.702 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000553599861 1194009503 /nfs/dbraw/zinc/00/95/03/1194009503.db2.gz LSLHDDZOVHZCFP-HNNXBMFYSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083506023 1194054680 /nfs/dbraw/zinc/05/46/80/1194054680.db2.gz MQILEBRVWMJIII-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083506023 1194054686 /nfs/dbraw/zinc/05/46/86/1194054686.db2.gz MQILEBRVWMJIII-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083506023 1194054689 /nfs/dbraw/zinc/05/46/89/1194054689.db2.gz MQILEBRVWMJIII-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001083506023 1194054692 /nfs/dbraw/zinc/05/46/92/1194054692.db2.gz MQILEBRVWMJIII-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810266 1194063276 /nfs/dbraw/zinc/06/32/76/1194063276.db2.gz RPUGDJFLSINAQI-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810266 1194063280 /nfs/dbraw/zinc/06/32/80/1194063280.db2.gz RPUGDJFLSINAQI-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088810266 1194063281 /nfs/dbraw/zinc/06/32/81/1194063281.db2.gz RPUGDJFLSINAQI-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188416 1194084751 /nfs/dbraw/zinc/08/47/51/1194084751.db2.gz FOLQBLSYJJKGOX-UZLBHIALSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000842191501 1194086350 /nfs/dbraw/zinc/08/63/50/1194086350.db2.gz YUJTXLMZEPNEAC-OXQOHEQNSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765739 1194117067 /nfs/dbraw/zinc/11/70/67/1194117067.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@@H+]1C ZINC000990765739 1194117071 /nfs/dbraw/zinc/11/70/71/1194117071.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 1 362.478 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2nc(=O)n(C)[n-]2)CC3)CC[N@H+]1C ZINC000990765739 1194117079 /nfs/dbraw/zinc/11/70/79/1194117079.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 1 362.478 0.062 20 0 FCADMP COc1cc2cc(C(N)=O)c(NC(=O)C[NH2+]CCC[NH3+])nc2cc1OC ZINC001218712264 1224201825 /nfs/dbraw/zinc/20/18/25/1224201825.db2.gz WLMVDKHAXMKPJX-UHFFFAOYSA-N 2 1 361.402 0.228 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076047937 1194274046 /nfs/dbraw/zinc/27/40/46/1194274046.db2.gz MAKCKLAITMIUNA-RYQLBKOJSA-N 2 1 371.485 0.878 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076047937 1194274054 /nfs/dbraw/zinc/27/40/54/1194274054.db2.gz MAKCKLAITMIUNA-RYQLBKOJSA-N 2 1 371.485 0.878 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076048128 1194274366 /nfs/dbraw/zinc/27/43/66/1194274366.db2.gz TXYLMXZIHGRAAP-ARFHVFGLSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076048128 1194274371 /nfs/dbraw/zinc/27/43/71/1194274371.db2.gz TXYLMXZIHGRAAP-ARFHVFGLSA-N 2 1 355.446 0.503 20 0 FCADMP COC(=O)[C@@H](C)CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794482 1224209965 /nfs/dbraw/zinc/20/99/65/1224209965.db2.gz KYKSBUFBLYSGBM-KHYOSLBOSA-N 2 1 369.506 0.469 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001076204032 1194352930 /nfs/dbraw/zinc/35/29/30/1194352930.db2.gz OWRKXQHLHTUQPE-JKSUJKDBSA-N 2 1 362.474 0.010 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457855 1194497132 /nfs/dbraw/zinc/49/71/32/1194497132.db2.gz UEUFWXAXVRULFE-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457855 1194497136 /nfs/dbraw/zinc/49/71/36/1194497136.db2.gz UEUFWXAXVRULFE-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457855 1194497140 /nfs/dbraw/zinc/49/71/40/1194497140.db2.gz UEUFWXAXVRULFE-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457855 1194497146 /nfs/dbraw/zinc/49/71/46/1194497146.db2.gz UEUFWXAXVRULFE-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457854 1194497987 /nfs/dbraw/zinc/49/79/87/1194497987.db2.gz UEUFWXAXVRULFE-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457854 1194497991 /nfs/dbraw/zinc/49/79/91/1194497991.db2.gz UEUFWXAXVRULFE-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457854 1194497999 /nfs/dbraw/zinc/49/79/99/1194497999.db2.gz UEUFWXAXVRULFE-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001076457854 1194498003 /nfs/dbraw/zinc/49/80/03/1194498003.db2.gz UEUFWXAXVRULFE-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569227 1194574018 /nfs/dbraw/zinc/57/40/18/1194574018.db2.gz OHOAUMBKMJDFPV-OKZBNKHCSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569227 1194574027 /nfs/dbraw/zinc/57/40/27/1194574027.db2.gz OHOAUMBKMJDFPV-OKZBNKHCSA-N 2 1 356.470 0.770 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569227 1194574031 /nfs/dbraw/zinc/57/40/31/1194574031.db2.gz OHOAUMBKMJDFPV-OKZBNKHCSA-N 2 1 356.470 0.770 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076605481 1194593416 /nfs/dbraw/zinc/59/34/16/1194593416.db2.gz BYAXCNIUNPOOHT-DLBZAZTESA-N 2 1 363.506 0.420 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001218814846 1224230467 /nfs/dbraw/zinc/23/04/67/1224230467.db2.gz XPRUNPXZPJBNRH-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001218814846 1224230474 /nfs/dbraw/zinc/23/04/74/1224230474.db2.gz XPRUNPXZPJBNRH-RBUKOAKNSA-N 2 1 361.486 0.932 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844479 1224236659 /nfs/dbraw/zinc/23/66/59/1224236659.db2.gz DDKUBLPUUHMJTD-RYQLBKOJSA-N 2 1 369.506 0.170 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001088836023 1194989384 /nfs/dbraw/zinc/98/93/84/1194989384.db2.gz AHHCLUIKZIOMJY-INMHGKMJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001088836023 1194989389 /nfs/dbraw/zinc/98/93/89/1194989389.db2.gz AHHCLUIKZIOMJY-INMHGKMJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001088836024 1194989410 /nfs/dbraw/zinc/98/94/10/1194989410.db2.gz AHHCLUIKZIOMJY-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001088836024 1194989415 /nfs/dbraw/zinc/98/94/15/1194989415.db2.gz AHHCLUIKZIOMJY-UXLLHSPISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001088835813 1194990679 /nfs/dbraw/zinc/99/06/79/1194990679.db2.gz PLGLWQUWIANQBQ-PBHICJAKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001088835813 1194990683 /nfs/dbraw/zinc/99/06/83/1194990683.db2.gz PLGLWQUWIANQBQ-PBHICJAKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076918582 1195077674 /nfs/dbraw/zinc/07/76/74/1195077674.db2.gz DWBULYPFCBUDFA-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076918582 1195077680 /nfs/dbraw/zinc/07/76/80/1195077680.db2.gz DWBULYPFCBUDFA-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP Cc1cnc2cc(C(=O)N[C@@H]3CN(C[C@H]4CCCCO4)C[C@H]3O)ccn12 ZINC001076996878 1195135905 /nfs/dbraw/zinc/13/59/05/1195135905.db2.gz RVOLNRJBHPAQJD-BRWVUGGUSA-N 2 1 358.442 0.987 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)n1 ZINC001077014436 1195148214 /nfs/dbraw/zinc/14/82/14/1195148214.db2.gz WVHUYKNLSLNPNE-RTBURBONSA-N 2 1 371.485 0.462 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091200 1195207468 /nfs/dbraw/zinc/20/74/68/1195207468.db2.gz PZFASMQVJBZMIZ-FGTMMUONSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091200 1195207474 /nfs/dbraw/zinc/20/74/74/1195207474.db2.gz PZFASMQVJBZMIZ-FGTMMUONSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091200 1195207480 /nfs/dbraw/zinc/20/74/80/1195207480.db2.gz PZFASMQVJBZMIZ-FGTMMUONSA-N 2 1 363.506 0.536 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077091200 1195207485 /nfs/dbraw/zinc/20/74/85/1195207485.db2.gz PZFASMQVJBZMIZ-FGTMMUONSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970968 1224274971 /nfs/dbraw/zinc/27/49/71/1224274971.db2.gz QAVDNHSMUXIRTA-ZWKOTPCHSA-N 2 1 362.474 0.380 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970968 1224274979 /nfs/dbraw/zinc/27/49/79/1224274979.db2.gz QAVDNHSMUXIRTA-ZWKOTPCHSA-N 2 1 362.474 0.380 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219804 1195328393 /nfs/dbraw/zinc/32/83/93/1195328393.db2.gz YXZQOTJOFTUAPX-QZTJIDSGSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219804 1195328401 /nfs/dbraw/zinc/32/84/01/1195328401.db2.gz YXZQOTJOFTUAPX-QZTJIDSGSA-N 2 1 358.486 0.927 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)O1 ZINC001077220762 1195329212 /nfs/dbraw/zinc/32/92/12/1195329212.db2.gz TVVBCBQCWAOAAU-VDHUWJSZSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)O1 ZINC001077220762 1195329216 /nfs/dbraw/zinc/32/92/16/1195329216.db2.gz TVVBCBQCWAOAAU-VDHUWJSZSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)O1 ZINC001077220762 1195329218 /nfs/dbraw/zinc/32/92/18/1195329218.db2.gz TVVBCBQCWAOAAU-VDHUWJSZSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)O1 ZINC001077220762 1195329224 /nfs/dbraw/zinc/32/92/24/1195329224.db2.gz TVVBCBQCWAOAAU-VDHUWJSZSA-N 2 1 369.506 0.074 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275885 1195376638 /nfs/dbraw/zinc/37/66/38/1195376638.db2.gz ATWZFZXXPMWELI-BMGDILEWSA-N 2 1 358.442 0.844 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276103 1195376811 /nfs/dbraw/zinc/37/68/11/1195376811.db2.gz LVPKBACDJRSDKE-ZTFGCOKTSA-N 2 1 358.442 0.844 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219000757 1224281973 /nfs/dbraw/zinc/28/19/73/1224281973.db2.gz AFQWXFMMGHSPHV-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC001077392749 1195490856 /nfs/dbraw/zinc/49/08/56/1195490856.db2.gz OWJQWGXMKSKOIX-QZTJIDSGSA-N 2 1 358.442 0.604 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC001077392749 1195490860 /nfs/dbraw/zinc/49/08/60/1195490860.db2.gz OWJQWGXMKSKOIX-QZTJIDSGSA-N 2 1 358.442 0.604 20 0 FCADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418079 1195517799 /nfs/dbraw/zinc/51/77/99/1195517799.db2.gz IEYQKZHDUBDKSO-KJBWJIBOSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418079 1195517802 /nfs/dbraw/zinc/51/78/02/1195517802.db2.gz IEYQKZHDUBDKSO-KJBWJIBOSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)c1 ZINC001077418079 1195517805 /nfs/dbraw/zinc/51/78/05/1195517805.db2.gz IEYQKZHDUBDKSO-KJBWJIBOSA-N 2 1 371.481 0.520 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418265 1195518339 /nfs/dbraw/zinc/51/83/39/1195518339.db2.gz LKCWSZSPASEAEI-SYJBPTKTSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418265 1195518344 /nfs/dbraw/zinc/51/83/44/1195518344.db2.gz LKCWSZSPASEAEI-SYJBPTKTSA-N 2 1 357.454 0.211 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418265 1195518352 /nfs/dbraw/zinc/51/83/52/1195518352.db2.gz LKCWSZSPASEAEI-SYJBPTKTSA-N 2 1 357.454 0.211 20 0 FCADMP COCCn1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000905004265 1195564159 /nfs/dbraw/zinc/56/41/59/1195564159.db2.gz FKNQSDOALHDXRF-CALCHBBNSA-N 2 1 362.478 0.962 20 0 FCADMP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000906150965 1195616003 /nfs/dbraw/zinc/61/60/03/1195616003.db2.gz SDTCUZDSEBNVNL-GOSISDBHSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000906150965 1195616008 /nfs/dbraw/zinc/61/60/08/1195616008.db2.gz SDTCUZDSEBNVNL-GOSISDBHSA-N 2 1 373.545 0.807 20 0 FCADMP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000906150965 1195616013 /nfs/dbraw/zinc/61/60/13/1195616013.db2.gz SDTCUZDSEBNVNL-GOSISDBHSA-N 2 1 373.545 0.807 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906662165 1195643569 /nfs/dbraw/zinc/64/35/69/1195643569.db2.gz VJLGEUUELIFNAE-UHFFFAOYSA-N 2 1 361.490 0.568 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906662165 1195643571 /nfs/dbraw/zinc/64/35/71/1195643571.db2.gz VJLGEUUELIFNAE-UHFFFAOYSA-N 2 1 361.490 0.568 20 0 FCADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000906785107 1195664678 /nfs/dbraw/zinc/66/46/78/1195664678.db2.gz DVBSIIVRXWGARN-XLIONFOSSA-N 2 1 374.529 0.886 20 0 FCADMP O=C(N[C@@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000991123738 1195729178 /nfs/dbraw/zinc/72/91/78/1195729178.db2.gz ZJZLQUUJFAFKJX-AHEZYBDSSA-N 2 1 355.446 0.918 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)CC1 ZINC000910859667 1195852890 /nfs/dbraw/zinc/85/28/90/1195852890.db2.gz DGCUZSVATUXRFP-UHFFFAOYSA-N 2 1 368.566 0.955 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CC1 ZINC000910859667 1195852892 /nfs/dbraw/zinc/85/28/92/1195852892.db2.gz DGCUZSVATUXRFP-UHFFFAOYSA-N 2 1 368.566 0.955 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)CC1 ZINC000910859667 1195852895 /nfs/dbraw/zinc/85/28/95/1195852895.db2.gz DGCUZSVATUXRFP-UHFFFAOYSA-N 2 1 368.566 0.955 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911166057 1195902595 /nfs/dbraw/zinc/90/25/95/1195902595.db2.gz UDVDWCZNGREINA-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000911213145 1195915441 /nfs/dbraw/zinc/91/54/41/1195915441.db2.gz USQOOEJCJOWEFP-HNNXBMFYSA-N 2 1 359.474 0.804 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644738 1195934187 /nfs/dbraw/zinc/93/41/87/1195934187.db2.gz UANOCCZDCBJDJU-MSOLQXFVSA-N 2 1 358.442 0.926 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)[nH+]1 ZINC000911365957 1195948378 /nfs/dbraw/zinc/94/83/78/1195948378.db2.gz XZKCYSANPJNGQE-QGZVFWFLSA-N 2 1 367.453 0.749 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001219064011 1224330977 /nfs/dbraw/zinc/33/09/77/1224330977.db2.gz LEQJSQRPDQRPGL-ZWKOTPCHSA-N 2 1 369.506 0.173 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001219064011 1224330984 /nfs/dbraw/zinc/33/09/84/1224330984.db2.gz LEQJSQRPDQRPGL-ZWKOTPCHSA-N 2 1 369.506 0.173 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654352 1196347259 /nfs/dbraw/zinc/34/72/59/1196347259.db2.gz KCYXZAAGZJYHEF-BAXZCQIOSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654352 1196347262 /nfs/dbraw/zinc/34/72/62/1196347262.db2.gz KCYXZAAGZJYHEF-BAXZCQIOSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654352 1196347268 /nfs/dbraw/zinc/34/72/68/1196347268.db2.gz KCYXZAAGZJYHEF-BAXZCQIOSA-N 2 1 371.481 0.520 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)O1 ZINC000593350874 1196625453 /nfs/dbraw/zinc/62/54/53/1196625453.db2.gz XQMPYLJIMCTNOG-LZWOXQAQSA-N 2 1 368.478 0.127 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000593350874 1196625455 /nfs/dbraw/zinc/62/54/55/1196625455.db2.gz XQMPYLJIMCTNOG-LZWOXQAQSA-N 2 1 368.478 0.127 20 0 FCADMP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077475550 1196809830 /nfs/dbraw/zinc/80/98/30/1196809830.db2.gz KTZSMDQIGIUHFB-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077475550 1196809833 /nfs/dbraw/zinc/80/98/33/1196809833.db2.gz KTZSMDQIGIUHFB-ARFHVFGLSA-N 2 1 366.506 0.345 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052848 1196876266 /nfs/dbraw/zinc/87/62/66/1196876266.db2.gz AHPIBDHHMWOPMQ-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052848 1196876268 /nfs/dbraw/zinc/87/62/68/1196876268.db2.gz AHPIBDHHMWOPMQ-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052848 1196876269 /nfs/dbraw/zinc/87/62/69/1196876269.db2.gz AHPIBDHHMWOPMQ-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCc3nc(C)no3)[C@@H]2C)C1 ZINC001089052848 1196876270 /nfs/dbraw/zinc/87/62/70/1196876270.db2.gz AHPIBDHHMWOPMQ-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992690227 1197306089 /nfs/dbraw/zinc/30/60/89/1197306089.db2.gz SOQRGNYZSNFKMR-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992690227 1197306093 /nfs/dbraw/zinc/30/60/93/1197306093.db2.gz SOQRGNYZSNFKMR-MDZRGWNJSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)CC[N@H+]1C ZINC000992951779 1197628245 /nfs/dbraw/zinc/62/82/45/1197628245.db2.gz LLHZUODHFVGVDR-AXVVYFOYSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743370 /nfs/dbraw/zinc/74/33/70/1197743370.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743382 /nfs/dbraw/zinc/74/33/82/1197743382.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743393 /nfs/dbraw/zinc/74/33/93/1197743393.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743405 /nfs/dbraw/zinc/74/34/05/1197743405.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743416 /nfs/dbraw/zinc/74/34/16/1197743416.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 2 1 365.522 0.317 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106249472 1197781484 /nfs/dbraw/zinc/78/14/84/1197781484.db2.gz ITANQDDLOIDTSS-KFWWJZLASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249203 1197784092 /nfs/dbraw/zinc/78/40/92/1197784092.db2.gz CGBUESNABAAWQX-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106254993 1197790601 /nfs/dbraw/zinc/79/06/01/1197790601.db2.gz FAQLGBVUHQREEQ-HZPDHXFCSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085332837 1197826020 /nfs/dbraw/zinc/82/60/20/1197826020.db2.gz OYPRCGFFGDQPBQ-FVQBIDKESA-N 2 1 361.494 0.867 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C2CC2)C1 ZINC001085332837 1197826022 /nfs/dbraw/zinc/82/60/22/1197826022.db2.gz OYPRCGFFGDQPBQ-FVQBIDKESA-N 2 1 361.494 0.867 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083728245 1197854154 /nfs/dbraw/zinc/85/41/54/1197854154.db2.gz MLZYLSKRZLWBNL-DKKFBQAASA-N 2 1 361.486 0.957 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083728245 1197854158 /nfs/dbraw/zinc/85/41/58/1197854158.db2.gz MLZYLSKRZLWBNL-DKKFBQAASA-N 2 1 361.486 0.957 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083728245 1197854161 /nfs/dbraw/zinc/85/41/61/1197854161.db2.gz MLZYLSKRZLWBNL-DKKFBQAASA-N 2 1 361.486 0.957 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083728245 1197854164 /nfs/dbraw/zinc/85/41/64/1197854164.db2.gz MLZYLSKRZLWBNL-DKKFBQAASA-N 2 1 361.486 0.957 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322095 1197865182 /nfs/dbraw/zinc/86/51/82/1197865182.db2.gz JFWPJSVWQVAMIQ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000735591548 1197867890 /nfs/dbraw/zinc/86/78/90/1197867890.db2.gz FERYSEOGNRDGQJ-OAHLLOKOSA-N 2 1 373.501 0.976 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352383 1197874756 /nfs/dbraw/zinc/87/47/56/1197874756.db2.gz QBCZDADDEBKVQA-ZIAGYGMSSA-N 2 1 365.478 0.512 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001106353916 1197875078 /nfs/dbraw/zinc/87/50/78/1197875078.db2.gz HBIQRXIKSQWEEM-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(=O)N(C)C ZINC001106354008 1197875197 /nfs/dbraw/zinc/87/51/97/1197875197.db2.gz KGCXRGXWTYFTHK-MGPQQGTHSA-N 2 1 365.478 0.511 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)C1 ZINC001085429293 1197895620 /nfs/dbraw/zinc/89/56/20/1197895620.db2.gz MZPQGAIUFMXAJZ-KZNAEPCWSA-N 2 1 363.506 0.700 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)C1 ZINC001085429293 1197895621 /nfs/dbraw/zinc/89/56/21/1197895621.db2.gz MZPQGAIUFMXAJZ-KZNAEPCWSA-N 2 1 363.506 0.700 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085429505 1197895643 /nfs/dbraw/zinc/89/56/43/1197895643.db2.gz UZABJVAMWKFMJY-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085429505 1197895644 /nfs/dbraw/zinc/89/56/44/1197895644.db2.gz UZABJVAMWKFMJY-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1 ZINC001106433141 1197923370 /nfs/dbraw/zinc/92/33/70/1197923370.db2.gz BYNABWNKBZSYOO-KBAYOESNSA-N 2 1 366.506 0.909 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2ncc[nH]2)C1 ZINC001006289100 1198251895 /nfs/dbraw/zinc/25/18/95/1198251895.db2.gz PQCAUWQSDUNAEH-JJXSEGSLSA-N 2 1 359.474 0.932 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001066458541 1198276268 /nfs/dbraw/zinc/27/62/68/1198276268.db2.gz IDHMFEVVRLXTOI-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)O1 ZINC001066458541 1198276273 /nfs/dbraw/zinc/27/62/73/1198276273.db2.gz IDHMFEVVRLXTOI-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086400321 1198356108 /nfs/dbraw/zinc/35/61/08/1198356108.db2.gz BOWCTCAWPYFNRC-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086400321 1198356122 /nfs/dbraw/zinc/35/61/22/1198356122.db2.gz BOWCTCAWPYFNRC-MWQQHZPXSA-N 2 1 362.474 0.794 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538276 1224503020 /nfs/dbraw/zinc/50/30/20/1224503020.db2.gz WXVMQYQWTLSOSX-RRQGHBQHSA-N 3 1 372.469 0.526 20 0 FCADMP CN1C[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538276 1224503027 /nfs/dbraw/zinc/50/30/27/1224503027.db2.gz WXVMQYQWTLSOSX-RRQGHBQHSA-N 2 1 372.469 0.526 20 0 FCADMP O=C(NCCN1CCCCC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219569231 1224512333 /nfs/dbraw/zinc/51/23/33/1224512333.db2.gz HWZCVTAQOOUZPF-SFHVURJKSA-N 2 1 370.497 0.837 20 0 FCADMP O=C(NCCN1CCCCC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219569231 1224512340 /nfs/dbraw/zinc/51/23/40/1224512340.db2.gz HWZCVTAQOOUZPF-SFHVURJKSA-N 2 1 370.497 0.837 20 0 FCADMP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)cc1 ZINC001168878458 1199038562 /nfs/dbraw/zinc/03/85/62/1199038562.db2.gz BHQRSBDJUOQEET-INIZCTEOSA-N 2 1 352.398 0.831 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129337460 1199079061 /nfs/dbraw/zinc/07/90/61/1199079061.db2.gz IYTFYIBLDWDROO-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129337460 1199079070 /nfs/dbraw/zinc/07/90/70/1199079070.db2.gz IYTFYIBLDWDROO-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC(=O)N1CCC[C@@H]([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169614283 1199082887 /nfs/dbraw/zinc/08/28/87/1199082887.db2.gz DSLZZPMBNNLIGK-QGZVFWFLSA-N 2 1 372.517 0.640 20 0 FCADMP CC(=O)N1CCC[C@@H]([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)C1 ZINC001169614283 1199082893 /nfs/dbraw/zinc/08/28/93/1199082893.db2.gz DSLZZPMBNNLIGK-QGZVFWFLSA-N 2 1 372.517 0.640 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652409 1224546172 /nfs/dbraw/zinc/54/61/72/1224546172.db2.gz YTBGLACSDQVKKI-SJORKVTESA-N 2 1 367.494 0.036 20 0 FCADMP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219697741 1224563712 /nfs/dbraw/zinc/56/37/12/1224563712.db2.gz XKCIRWWWOWDANH-WIYYLYMNSA-N 3 1 372.513 0.329 20 0 FCADMP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739504 1224586043 /nfs/dbraw/zinc/58/60/43/1224586043.db2.gz QHIVODHBIXWZEF-QZTJIDSGSA-N 3 1 370.497 0.203 20 0 FCADMP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739504 1224586052 /nfs/dbraw/zinc/58/60/52/1224586052.db2.gz QHIVODHBIXWZEF-QZTJIDSGSA-N 3 1 370.497 0.203 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293819 1200152091 /nfs/dbraw/zinc/15/20/91/1200152091.db2.gz HUCZMCHGLHZLAG-YRXWBPOGSA-N 2 1 374.529 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293819 1200152094 /nfs/dbraw/zinc/15/20/94/1200152094.db2.gz HUCZMCHGLHZLAG-YRXWBPOGSA-N 2 1 374.529 0.918 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304072 1200159301 /nfs/dbraw/zinc/15/93/01/1200159301.db2.gz IUOMVXCXYMIDHR-MTSZKFMLSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304072 1200159303 /nfs/dbraw/zinc/15/93/03/1200159303.db2.gz IUOMVXCXYMIDHR-MTSZKFMLSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109304072 1200159306 /nfs/dbraw/zinc/15/93/06/1200159306.db2.gz IUOMVXCXYMIDHR-MTSZKFMLSA-N 2 1 365.522 0.756 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109304072 1200159310 /nfs/dbraw/zinc/15/93/10/1200159310.db2.gz IUOMVXCXYMIDHR-MTSZKFMLSA-N 2 1 365.522 0.756 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCCOC ZINC001109464030 1200301611 /nfs/dbraw/zinc/30/16/11/1200301611.db2.gz IFTOVXCZVIBNKZ-QZWWFDLISA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCCOC ZINC001109464030 1200301621 /nfs/dbraw/zinc/30/16/21/1200301621.db2.gz IFTOVXCZVIBNKZ-QZWWFDLISA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001109464030 1200301632 /nfs/dbraw/zinc/30/16/32/1200301632.db2.gz IFTOVXCZVIBNKZ-QZWWFDLISA-N 2 1 371.522 0.462 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)c1cc[nH+]cc1 ZINC001109466915 1200303806 /nfs/dbraw/zinc/30/38/06/1200303806.db2.gz DVFWBBWCSYLBBF-SQNIBIBYSA-N 2 1 371.485 0.862 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)c1cc[nH+]cc1 ZINC001109466915 1200303816 /nfs/dbraw/zinc/30/38/16/1200303816.db2.gz DVFWBBWCSYLBBF-SQNIBIBYSA-N 2 1 371.485 0.862 20 0 FCADMP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639442 1200429467 /nfs/dbraw/zinc/42/94/67/1200429467.db2.gz VNSOOWYTKBOTRG-OWSLCNJRSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639442 1200429474 /nfs/dbraw/zinc/42/94/74/1200429474.db2.gz VNSOOWYTKBOTRG-OWSLCNJRSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639442 1200429478 /nfs/dbraw/zinc/42/94/78/1200429478.db2.gz VNSOOWYTKBOTRG-OWSLCNJRSA-N 2 1 369.506 0.480 20 0 FCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639442 1200429484 /nfs/dbraw/zinc/42/94/84/1200429484.db2.gz VNSOOWYTKBOTRG-OWSLCNJRSA-N 2 1 369.506 0.480 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001109651034 1200444362 /nfs/dbraw/zinc/44/43/62/1200444362.db2.gz FXVAPLWYBLQJCP-NCOADZHNSA-N 2 1 361.490 0.307 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717422 1200474643 /nfs/dbraw/zinc/47/46/43/1200474643.db2.gz PQTHQLGDPMQAFA-NCOADZHNSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717422 1200474652 /nfs/dbraw/zinc/47/46/52/1200474652.db2.gz PQTHQLGDPMQAFA-NCOADZHNSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109717422 1200474655 /nfs/dbraw/zinc/47/46/55/1200474655.db2.gz PQTHQLGDPMQAFA-NCOADZHNSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109717422 1200474657 /nfs/dbraw/zinc/47/46/57/1200474657.db2.gz PQTHQLGDPMQAFA-NCOADZHNSA-N 2 1 365.522 0.900 20 0 FCADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822345 1200545929 /nfs/dbraw/zinc/54/59/29/1200545929.db2.gz KFIMEINOTUQRHP-RANZSIQMSA-N 2 1 363.506 0.941 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109843408 1200558289 /nfs/dbraw/zinc/55/82/89/1200558289.db2.gz JFELKPSVRNQANL-SQNIBIBYSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109843408 1200558294 /nfs/dbraw/zinc/55/82/94/1200558294.db2.gz JFELKPSVRNQANL-SQNIBIBYSA-N 2 1 369.506 0.219 20 0 FCADMP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847701 1200559782 /nfs/dbraw/zinc/55/97/82/1200559782.db2.gz CRXCFPCBNBWKSK-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000771317708 1200560261 /nfs/dbraw/zinc/56/02/61/1200560261.db2.gz WRSSLIJFAAKSRK-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000771317708 1200560267 /nfs/dbraw/zinc/56/02/67/1200560267.db2.gz WRSSLIJFAAKSRK-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000771317708 1200560273 /nfs/dbraw/zinc/56/02/73/1200560273.db2.gz WRSSLIJFAAKSRK-DLBZAZTESA-N 2 1 367.538 0.565 20 0 FCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109889972 1200590162 /nfs/dbraw/zinc/59/01/62/1200590162.db2.gz DHUIXPYTIBQBFV-BDXSIMOUSA-N 2 1 371.441 0.610 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109889972 1200590166 /nfs/dbraw/zinc/59/01/66/1200590166.db2.gz DHUIXPYTIBQBFV-BDXSIMOUSA-N 2 1 371.441 0.610 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109979929 1200664952 /nfs/dbraw/zinc/66/49/52/1200664952.db2.gz FSJOMDXHMYQITN-SQNIBIBYSA-N 2 1 363.506 0.800 20 0 FCADMP [NH3+][C@H](C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1Cc2ccccc2C1 ZINC001219805601 1224624792 /nfs/dbraw/zinc/62/47/92/1224624792.db2.gz AJQFANRHTAHXAK-IBGZPJMESA-N 2 1 367.453 0.095 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129393078 1200677384 /nfs/dbraw/zinc/67/73/84/1200677384.db2.gz AMTCAUTUQSFSHX-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001110018000 1200709666 /nfs/dbraw/zinc/70/96/66/1200709666.db2.gz WTHGQYHWEVEUEI-SQNIBIBYSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001110018000 1200709685 /nfs/dbraw/zinc/70/96/85/1200709685.db2.gz WTHGQYHWEVEUEI-SQNIBIBYSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001110018000 1200709706 /nfs/dbraw/zinc/70/97/06/1200709706.db2.gz WTHGQYHWEVEUEI-SQNIBIBYSA-N 2 1 368.522 0.593 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830499 1224642800 /nfs/dbraw/zinc/64/28/00/1224642800.db2.gz YEWMHADFGAWRKI-KSZLIROESA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)cn1 ZINC001219830499 1224642802 /nfs/dbraw/zinc/64/28/02/1224642802.db2.gz YEWMHADFGAWRKI-KSZLIROESA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)cn1 ZINC001219830499 1224642805 /nfs/dbraw/zinc/64/28/05/1224642805.db2.gz YEWMHADFGAWRKI-KSZLIROESA-N 2 1 363.506 0.481 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001086607391 1201188507 /nfs/dbraw/zinc/18/85/07/1201188507.db2.gz YVSBYNRLXDHFFF-IPMKNSEASA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001086607391 1201188509 /nfs/dbraw/zinc/18/85/09/1201188509.db2.gz YVSBYNRLXDHFFF-IPMKNSEASA-N 2 1 370.497 0.801 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000793703313 1201258826 /nfs/dbraw/zinc/25/88/26/1201258826.db2.gz UMTGXFCPONKLFV-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@@H]1O)[NH+](C)C ZINC001219868817 1224661278 /nfs/dbraw/zinc/66/12/78/1224661278.db2.gz ATFONTYVTCEBBS-OAGGEKHMSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@@H]1O)[NH+](C)C ZINC001219868817 1224661288 /nfs/dbraw/zinc/66/12/88/1224661288.db2.gz ATFONTYVTCEBBS-OAGGEKHMSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@@H]1O)[NH+](C)C ZINC001219869098 1224662602 /nfs/dbraw/zinc/66/26/02/1224662602.db2.gz GQFFBLSMFDCPDI-KURKYZTESA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@@H]1O)[NH+](C)C ZINC001219869098 1224662604 /nfs/dbraw/zinc/66/26/04/1224662604.db2.gz GQFFBLSMFDCPDI-KURKYZTESA-N 2 1 365.474 0.576 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620359 1201283034 /nfs/dbraw/zinc/28/30/34/1201283034.db2.gz MKFAJPYWPAYAHW-ZWKOTPCHSA-N 2 1 370.497 0.755 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620359 1201283040 /nfs/dbraw/zinc/28/30/40/1201283040.db2.gz MKFAJPYWPAYAHW-ZWKOTPCHSA-N 2 1 370.497 0.755 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396402 1201295698 /nfs/dbraw/zinc/29/56/98/1201295698.db2.gz BIJLAABHAPZRSX-BBWFWOEESA-N 2 1 366.510 0.513 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129406822 1201296379 /nfs/dbraw/zinc/29/63/79/1201296379.db2.gz ADULKJNGIWACQV-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129406822 1201296383 /nfs/dbraw/zinc/29/63/83/1201296383.db2.gz ADULKJNGIWACQV-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129406822 1201296389 /nfs/dbraw/zinc/29/63/89/1201296389.db2.gz ADULKJNGIWACQV-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129407462 1201298374 /nfs/dbraw/zinc/29/83/74/1201298374.db2.gz NYQCWKGWZGZWNA-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129407462 1201298382 /nfs/dbraw/zinc/29/83/82/1201298382.db2.gz NYQCWKGWZGZWNA-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129407462 1201298389 /nfs/dbraw/zinc/29/83/89/1201298389.db2.gz NYQCWKGWZGZWNA-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129407462 1201298396 /nfs/dbraw/zinc/29/83/96/1201298396.db2.gz NYQCWKGWZGZWNA-SJORKVTESA-N 2 1 366.510 0.634 20 0 FCADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717697 1201377320 /nfs/dbraw/zinc/37/73/20/1201377320.db2.gz POUCLLWOMZXYFF-BBROLEBSSA-N 2 1 362.478 0.307 20 0 FCADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717697 1201377325 /nfs/dbraw/zinc/37/73/25/1201377325.db2.gz POUCLLWOMZXYFF-BBROLEBSSA-N 2 1 362.478 0.307 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910214 1201422570 /nfs/dbraw/zinc/42/25/70/1201422570.db2.gz IOMNCKSNEMNCKJ-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912578 1201423915 /nfs/dbraw/zinc/42/39/15/1201423915.db2.gz PWQSIKLJBJEPHU-WCXIOVBPSA-N 2 1 364.494 0.529 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912578 1201423919 /nfs/dbraw/zinc/42/39/19/1201423919.db2.gz PWQSIKLJBJEPHU-WCXIOVBPSA-N 2 1 364.494 0.529 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129932037 1201434499 /nfs/dbraw/zinc/43/44/99/1201434499.db2.gz JYNPQPKHRGEKSH-CVEARBPZSA-N 2 1 361.450 0.250 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129918949 1201440624 /nfs/dbraw/zinc/44/06/24/1201440624.db2.gz NGVJRKFIBKKQJF-XHSDSOJGSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129918948 1201441035 /nfs/dbraw/zinc/44/10/35/1201441035.db2.gz NGVJRKFIBKKQJF-OAGGEKHMSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129991963 1201470478 /nfs/dbraw/zinc/47/04/78/1201470478.db2.gz FHUHSPMEFNVTOI-CVEARBPZSA-N 2 1 361.425 0.306 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001219904251 1224676019 /nfs/dbraw/zinc/67/60/19/1224676019.db2.gz AZVMJDFVCXUPMP-ZACQAIPSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001219904251 1224676022 /nfs/dbraw/zinc/67/60/22/1224676022.db2.gz AZVMJDFVCXUPMP-ZACQAIPSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001219904251 1224676025 /nfs/dbraw/zinc/67/60/25/1224676025.db2.gz AZVMJDFVCXUPMP-ZACQAIPSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001219904251 1224676028 /nfs/dbraw/zinc/67/60/28/1224676028.db2.gz AZVMJDFVCXUPMP-ZACQAIPSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130081486 1201492960 /nfs/dbraw/zinc/49/29/60/1201492960.db2.gz RFKLWORCSDJERW-CABCVRRESA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130081486 1201492962 /nfs/dbraw/zinc/49/29/62/1201492962.db2.gz RFKLWORCSDJERW-CABCVRRESA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130074573 1201494773 /nfs/dbraw/zinc/49/47/73/1201494773.db2.gz AOWOLSCWDWCITC-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130074573 1201494783 /nfs/dbraw/zinc/49/47/83/1201494783.db2.gz AOWOLSCWDWCITC-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123113 1201511333 /nfs/dbraw/zinc/51/13/33/1201511333.db2.gz GXMMRNCBHIKYJB-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1 ZINC001130184381 1201537601 /nfs/dbraw/zinc/53/76/01/1201537601.db2.gz NZEFDNDEMNEBSS-NVXWUHKLSA-N 2 1 362.474 0.464 20 0 FCADMP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1 ZINC001130184381 1201537605 /nfs/dbraw/zinc/53/76/05/1201537605.db2.gz NZEFDNDEMNEBSS-NVXWUHKLSA-N 2 1 362.474 0.464 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001130220593 1201548075 /nfs/dbraw/zinc/54/80/75/1201548075.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001130220593 1201548078 /nfs/dbraw/zinc/54/80/78/1201548078.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001130220593 1201548081 /nfs/dbraw/zinc/54/80/81/1201548081.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 2 1 364.494 0.776 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001130237778 1201560091 /nfs/dbraw/zinc/56/00/91/1201560091.db2.gz DMBSCUDHZNDMSX-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001130237778 1201560096 /nfs/dbraw/zinc/56/00/96/1201560096.db2.gz DMBSCUDHZNDMSX-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001130237778 1201560101 /nfs/dbraw/zinc/56/01/01/1201560101.db2.gz DMBSCUDHZNDMSX-KKUMJFAQSA-N 2 1 364.494 0.635 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219981229 1224712743 /nfs/dbraw/zinc/71/27/43/1224712743.db2.gz ZXDHCBVOLBBVHC-ULQDDVLXSA-N 3 1 367.538 0.282 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220011501 1224727149 /nfs/dbraw/zinc/72/71/49/1224727149.db2.gz UMRRHKOMZUTBRR-MSOLQXFVSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220011501 1224727152 /nfs/dbraw/zinc/72/71/52/1224727152.db2.gz UMRRHKOMZUTBRR-MSOLQXFVSA-N 2 1 364.490 0.950 20 0 FCADMP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001220020845 1224729800 /nfs/dbraw/zinc/72/98/00/1224729800.db2.gz XYRAQFJGWMITFP-OAHLLOKOSA-N 2 1 371.441 0.721 20 0 FCADMP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033788 1224733437 /nfs/dbraw/zinc/73/34/37/1224733437.db2.gz IVWKFBGNOAHGDT-AZXQYZHQSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033788 1224733440 /nfs/dbraw/zinc/73/34/40/1224733440.db2.gz IVWKFBGNOAHGDT-AZXQYZHQSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033788 1224733444 /nfs/dbraw/zinc/73/34/44/1224733444.db2.gz IVWKFBGNOAHGDT-AZXQYZHQSA-N 2 1 363.502 0.757 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531954 1202710456 /nfs/dbraw/zinc/71/04/56/1202710456.db2.gz OERVCJAADSQTLQ-JQHSSLGASA-N 2 1 363.506 0.823 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130604999 1202733086 /nfs/dbraw/zinc/73/30/86/1202733086.db2.gz UHTWTUWWNMRENE-JQHSSLGASA-N 2 1 363.506 0.561 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607694 1202733794 /nfs/dbraw/zinc/73/37/94/1202733794.db2.gz JRTXCSAVQGZQFA-FUHWJXTLSA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946117 1202827548 /nfs/dbraw/zinc/82/75/48/1202827548.db2.gz KIGKCGNGQHOXGD-JFIYKMOQSA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946117 1202827550 /nfs/dbraw/zinc/82/75/50/1202827550.db2.gz KIGKCGNGQHOXGD-JFIYKMOQSA-N 2 1 363.506 0.825 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001131053834 1202854594 /nfs/dbraw/zinc/85/45/94/1202854594.db2.gz DBNJDLFSKZHQLY-MWDXBVQZSA-N 2 1 363.506 0.417 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665014 1202887369 /nfs/dbraw/zinc/88/73/69/1202887369.db2.gz NGANVASVXRAGSI-SQWLQELKSA-N 2 1 363.462 0.190 20 0 FCADMP COc1nccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665014 1202887371 /nfs/dbraw/zinc/88/73/71/1202887371.db2.gz NGANVASVXRAGSI-SQWLQELKSA-N 2 1 363.462 0.190 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313485 1202887994 /nfs/dbraw/zinc/88/79/94/1202887994.db2.gz UIIJTOVYFYTFAO-XHSDSOJGSA-N 2 1 364.490 0.844 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001131522617 1202911083 /nfs/dbraw/zinc/91/10/83/1202911083.db2.gz PWNLRALUWXIRLZ-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131538625 1202912936 /nfs/dbraw/zinc/91/29/36/1202912936.db2.gz QELDOWUDVMSBJN-TVFCKZIOSA-N 2 1 369.506 0.074 20 0 FCADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001131564336 1202914800 /nfs/dbraw/zinc/91/48/00/1202914800.db2.gz IEVVKTFYPXGNDN-QAPCUYQASA-N 2 1 368.522 0.435 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001086700639 1202975278 /nfs/dbraw/zinc/97/52/78/1202975278.db2.gz CXWZKVVOHSUPDN-VVLHAWIVSA-N 2 1 365.522 0.616 20 0 FCADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813324738 1202993302 /nfs/dbraw/zinc/99/33/02/1202993302.db2.gz ANHNCXCWERXVDT-CQSZACIVSA-N 2 1 359.474 0.895 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086717151 1203013327 /nfs/dbraw/zinc/01/33/27/1203013327.db2.gz JPXZJJQFCPNHIY-ZNMIVQPWSA-N 2 1 357.462 0.964 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086731233 1203051671 /nfs/dbraw/zinc/05/16/71/1203051671.db2.gz CGTDGIDPOHHABW-KYHPRHEASA-N 2 1 361.490 0.879 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086731233 1203051676 /nfs/dbraw/zinc/05/16/76/1203051676.db2.gz CGTDGIDPOHHABW-KYHPRHEASA-N 2 1 361.490 0.879 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086731660 1203052722 /nfs/dbraw/zinc/05/27/22/1203052722.db2.gz XABWBXOYGPHDTM-AETAKHFUSA-N 2 1 361.490 0.879 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001086731660 1203052726 /nfs/dbraw/zinc/05/27/26/1203052726.db2.gz XABWBXOYGPHDTM-AETAKHFUSA-N 2 1 361.490 0.879 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001086731716 1203053398 /nfs/dbraw/zinc/05/33/98/1203053398.db2.gz ZGCFFLOEJSYAPR-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001086731716 1203053402 /nfs/dbraw/zinc/05/34/02/1203053402.db2.gz ZGCFFLOEJSYAPR-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001086784957 1203092540 /nfs/dbraw/zinc/09/25/40/1203092540.db2.gz CTZZYTOOPYGOGX-ARFHVFGLSA-N 2 1 364.494 0.299 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000817959996 1203128310 /nfs/dbraw/zinc/12/83/10/1203128310.db2.gz JVVWESALWNLIRB-HNAYVOBHSA-N 2 1 359.474 0.964 20 0 FCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000054938301 1203177533 /nfs/dbraw/zinc/17/75/33/1203177533.db2.gz IFVIJVCZSGXHKI-MRXNPFEDSA-N 2 1 359.474 0.587 20 0 FCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000054938301 1203177537 /nfs/dbraw/zinc/17/75/37/1203177537.db2.gz IFVIJVCZSGXHKI-MRXNPFEDSA-N 2 1 359.474 0.587 20 0 FCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000054938301 1203177542 /nfs/dbraw/zinc/17/75/42/1203177542.db2.gz IFVIJVCZSGXHKI-MRXNPFEDSA-N 2 1 359.474 0.587 20 0 FCADMP O=C([C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670000 1203322938 /nfs/dbraw/zinc/32/29/38/1203322938.db2.gz KHVUJNUIBSYKRT-IAGOWNOFSA-N 2 1 353.426 0.417 20 0 FCADMP O=C([C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001143670000 1203322942 /nfs/dbraw/zinc/32/29/42/1203322942.db2.gz KHVUJNUIBSYKRT-IAGOWNOFSA-N 2 1 353.426 0.417 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143682246 1203325223 /nfs/dbraw/zinc/32/52/23/1203325223.db2.gz VGLPCAPDDMKGPT-DLBZAZTESA-N 3 1 361.490 0.686 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143682246 1203325226 /nfs/dbraw/zinc/32/52/26/1203325226.db2.gz VGLPCAPDDMKGPT-DLBZAZTESA-N 3 1 361.490 0.686 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143682249 1203325332 /nfs/dbraw/zinc/32/53/32/1203325332.db2.gz VGLPCAPDDMKGPT-SJORKVTESA-N 3 1 361.490 0.686 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143682249 1203325333 /nfs/dbraw/zinc/32/53/33/1203325333.db2.gz VGLPCAPDDMKGPT-SJORKVTESA-N 3 1 361.490 0.686 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220225542 1224809043 /nfs/dbraw/zinc/80/90/43/1224809043.db2.gz HGFPJIXYXLIALV-LPHOPBHVSA-N 2 1 371.441 0.213 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)CC1 ZINC001220227195 1224809395 /nfs/dbraw/zinc/80/93/95/1224809395.db2.gz KUDSQFGIQGVZSN-MSOLQXFVSA-N 2 1 361.486 0.959 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001220306112 1224824419 /nfs/dbraw/zinc/82/44/19/1224824419.db2.gz CJYNBBZXUGHSDQ-WIYYLYMNSA-N 2 1 371.529 0.466 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)cn2)CC1 ZINC000844914487 1204443687 /nfs/dbraw/zinc/44/36/87/1204443687.db2.gz JEUCCSOZBPOXJT-KSSFIOAISA-N 2 1 356.430 0.371 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342584 1224834216 /nfs/dbraw/zinc/83/42/16/1224834216.db2.gz HDWXYSZHKCGGPS-ZACQAIPSSA-N 2 1 364.490 0.167 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355559 1224841166 /nfs/dbraw/zinc/84/11/66/1224841166.db2.gz UTMZLPBZNSWPBL-UHOSZYNNSA-N 2 1 361.486 0.959 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355559 1224841174 /nfs/dbraw/zinc/84/11/74/1224841174.db2.gz UTMZLPBZNSWPBL-UHOSZYNNSA-N 2 1 361.486 0.959 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220355559 1224841178 /nfs/dbraw/zinc/84/11/78/1224841178.db2.gz UTMZLPBZNSWPBL-UHOSZYNNSA-N 2 1 361.486 0.959 20 0 FCADMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898753 1204672977 /nfs/dbraw/zinc/67/29/77/1204672977.db2.gz CASQXANYQZEKCJ-IAGOWNOFSA-N 2 1 370.538 0.926 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846898753 1204672981 /nfs/dbraw/zinc/67/29/81/1204672981.db2.gz CASQXANYQZEKCJ-IAGOWNOFSA-N 2 1 370.538 0.926 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)cc1=O ZINC001091531907 1204702991 /nfs/dbraw/zinc/70/29/91/1204702991.db2.gz YQTTZODLUCWUEV-HLIPFELVSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)cc1=O ZINC001091531907 1204702992 /nfs/dbraw/zinc/70/29/92/1204702992.db2.gz YQTTZODLUCWUEV-HLIPFELVSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)cc1=O ZINC001091531907 1204702994 /nfs/dbraw/zinc/70/29/94/1204702994.db2.gz YQTTZODLUCWUEV-HLIPFELVSA-N 2 1 358.486 0.760 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369886 1224846033 /nfs/dbraw/zinc/84/60/33/1224846033.db2.gz WFMIGKHHNSEEAP-XHSDSOJGSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369886 1224846037 /nfs/dbraw/zinc/84/60/37/1224846037.db2.gz WFMIGKHHNSEEAP-XHSDSOJGSA-N 2 1 368.522 0.042 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)CC(C)(C)C ZINC001220369886 1224846039 /nfs/dbraw/zinc/84/60/39/1224846039.db2.gz WFMIGKHHNSEEAP-XHSDSOJGSA-N 2 1 368.522 0.042 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CCn4cncn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091687058 1204822751 /nfs/dbraw/zinc/82/27/51/1204822751.db2.gz MRGWKMANWSWCBV-NTDBWNAOSA-N 2 1 360.506 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091687058 1204822752 /nfs/dbraw/zinc/82/27/52/1204822752.db2.gz MRGWKMANWSWCBV-NTDBWNAOSA-N 2 1 360.506 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091687058 1204822753 /nfs/dbraw/zinc/82/27/53/1204822753.db2.gz MRGWKMANWSWCBV-NTDBWNAOSA-N 2 1 360.506 0.789 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721174 1204832822 /nfs/dbraw/zinc/83/28/22/1204832822.db2.gz USFJWIQWTCIGON-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721174 1204832823 /nfs/dbraw/zinc/83/28/23/1204832823.db2.gz USFJWIQWTCIGON-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721174 1204832828 /nfs/dbraw/zinc/83/28/28/1204832828.db2.gz USFJWIQWTCIGON-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721174 1204832829 /nfs/dbraw/zinc/83/28/29/1204832829.db2.gz USFJWIQWTCIGON-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001091721174 1204832830 /nfs/dbraw/zinc/83/28/30/1204832830.db2.gz USFJWIQWTCIGON-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721265 1204832989 /nfs/dbraw/zinc/83/29/89/1204832989.db2.gz YDXZJYDOXZXHEI-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721265 1204832991 /nfs/dbraw/zinc/83/29/91/1204832991.db2.gz YDXZJYDOXZXHEI-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721265 1204832996 /nfs/dbraw/zinc/83/29/96/1204832996.db2.gz YDXZJYDOXZXHEI-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721265 1204832997 /nfs/dbraw/zinc/83/29/97/1204832997.db2.gz YDXZJYDOXZXHEI-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721265 1204832998 /nfs/dbraw/zinc/83/29/98/1204832998.db2.gz YDXZJYDOXZXHEI-SUMDDJOVSA-N 2 1 360.506 0.970 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091735527 1204836359 /nfs/dbraw/zinc/83/63/59/1204836359.db2.gz TWMCRSCTIKCLHO-MDZRGWNJSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738286 1204837964 /nfs/dbraw/zinc/83/79/64/1204837964.db2.gz SZRWZKNJDFWIOS-VCBZYWHSSA-N 2 1 359.474 0.629 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738286 1204837965 /nfs/dbraw/zinc/83/79/65/1204837965.db2.gz SZRWZKNJDFWIOS-VCBZYWHSSA-N 2 1 359.474 0.629 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091758793 1204843504 /nfs/dbraw/zinc/84/35/04/1204843504.db2.gz KNHJGYODDYTKSV-KPFFTGBYSA-N 2 1 364.534 0.975 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086875566 1204858706 /nfs/dbraw/zinc/85/87/06/1204858706.db2.gz XLIXJGHQBYBQBV-ARFHVFGLSA-N 2 1 363.510 0.799 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001086970991 1204870714 /nfs/dbraw/zinc/87/07/14/1204870714.db2.gz RLROKVZXJFXINX-IPMKNSEASA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)cn1 ZINC001086972914 1204872447 /nfs/dbraw/zinc/87/24/47/1204872447.db2.gz HCYJUYMQBHZLOP-RCCFBDPRSA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)cn1 ZINC001086972914 1204872448 /nfs/dbraw/zinc/87/24/48/1204872448.db2.gz HCYJUYMQBHZLOP-RCCFBDPRSA-N 2 1 361.490 0.435 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086993146 1204884440 /nfs/dbraw/zinc/88/44/40/1204884440.db2.gz JAAZOHQOCAOQHA-RYQLBKOJSA-N 2 1 363.506 0.418 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CC2CC2)cn1 ZINC001087002102 1204890147 /nfs/dbraw/zinc/89/01/47/1204890147.db2.gz HGQFFVVGRNMIBR-ZWKOTPCHSA-N 2 1 361.490 0.436 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087009517 1204896993 /nfs/dbraw/zinc/89/69/93/1204896993.db2.gz KEFQEEDXIONOJM-JCGIZDLHSA-N 2 1 371.489 0.190 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083472 1204970082 /nfs/dbraw/zinc/97/00/82/1204970082.db2.gz GYOHKKLQLSIMTK-GDBMZVCRSA-N 2 1 365.478 0.755 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083909 1204972203 /nfs/dbraw/zinc/97/22/03/1204972203.db2.gz XLFFUMFNZLZUKA-BFYDXBDKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087096316 1205003733 /nfs/dbraw/zinc/00/37/33/1205003733.db2.gz IKYBVNCELJWCJV-BFYDXBDKSA-N 2 1 365.478 0.673 20 0 FCADMP Cc1c(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807821 1205021125 /nfs/dbraw/zinc/02/11/25/1205021125.db2.gz RMPXMBMCKLSDSK-ZTQAJYAQSA-N 2 1 367.453 0.925 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)C1=O ZINC001091818677 1205042195 /nfs/dbraw/zinc/04/21/95/1205042195.db2.gz JVIKGALPGAMOQP-MDZRGWNJSA-N 2 1 360.502 0.626 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974735 1205105715 /nfs/dbraw/zinc/10/57/15/1205105715.db2.gz SEOFAYVCKWIPAL-APWZRJJASA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974735 1205105719 /nfs/dbraw/zinc/10/57/19/1205105719.db2.gz SEOFAYVCKWIPAL-APWZRJJASA-N 2 1 360.506 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011224 1205112347 /nfs/dbraw/zinc/11/23/47/1205112347.db2.gz UHKWUKFJVXEYNU-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011224 1205112353 /nfs/dbraw/zinc/11/23/53/1205112353.db2.gz UHKWUKFJVXEYNU-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011224 1205112356 /nfs/dbraw/zinc/11/23/56/1205112356.db2.gz UHKWUKFJVXEYNU-MDZRGWNJSA-N 2 1 363.506 0.276 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092062000 1205131410 /nfs/dbraw/zinc/13/14/10/1205131410.db2.gz WQYZOFFOLAONAX-BEFAXECRSA-N 2 1 361.490 0.875 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001092062000 1205131416 /nfs/dbraw/zinc/13/14/16/1205131416.db2.gz WQYZOFFOLAONAX-BEFAXECRSA-N 2 1 361.490 0.875 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203455 1205197833 /nfs/dbraw/zinc/19/78/33/1205197833.db2.gz QWTGTBDHHUWIRK-APWZRJJASA-N 2 1 357.502 0.839 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092275163 1205222464 /nfs/dbraw/zinc/22/24/64/1205222464.db2.gz ROIRGCKISYJIQO-GJYPPUQNSA-N 2 1 358.490 0.642 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301380 1205234628 /nfs/dbraw/zinc/23/46/28/1205234628.db2.gz GCADJLOZGJARFX-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301380 1205234632 /nfs/dbraw/zinc/23/46/32/1205234632.db2.gz GCADJLOZGJARFX-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301380 1205234639 /nfs/dbraw/zinc/23/46/39/1205234639.db2.gz GCADJLOZGJARFX-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505834 1205297165 /nfs/dbraw/zinc/29/71/65/1205297165.db2.gz XOMNNZSOCLWQAU-KFWWJZLASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505834 1205297169 /nfs/dbraw/zinc/29/71/69/1205297169.db2.gz XOMNNZSOCLWQAU-KFWWJZLASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092505834 1205297172 /nfs/dbraw/zinc/29/71/72/1205297172.db2.gz XOMNNZSOCLWQAU-KFWWJZLASA-N 2 1 360.462 0.193 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092505834 1205297178 /nfs/dbraw/zinc/29/71/78/1205297178.db2.gz XOMNNZSOCLWQAU-KFWWJZLASA-N 2 1 360.462 0.193 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522651 1205302604 /nfs/dbraw/zinc/30/26/04/1205302604.db2.gz SOEGVYPCKPDTGA-INMHGKMJSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522651 1205302606 /nfs/dbraw/zinc/30/26/06/1205302606.db2.gz SOEGVYPCKPDTGA-INMHGKMJSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522651 1205302609 /nfs/dbraw/zinc/30/26/09/1205302609.db2.gz SOEGVYPCKPDTGA-INMHGKMJSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522651 1205302614 /nfs/dbraw/zinc/30/26/14/1205302614.db2.gz SOEGVYPCKPDTGA-INMHGKMJSA-N 2 1 362.474 0.605 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676432 1205336720 /nfs/dbraw/zinc/33/67/20/1205336720.db2.gz YBZBIKBYYOJVQZ-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676432 1205336724 /nfs/dbraw/zinc/33/67/24/1205336724.db2.gz YBZBIKBYYOJVQZ-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676432 1205336728 /nfs/dbraw/zinc/33/67/28/1205336728.db2.gz YBZBIKBYYOJVQZ-FGTMMUONSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838157 1205356319 /nfs/dbraw/zinc/35/63/19/1205356319.db2.gz NQZXHPWLKQLHSG-NQAWJTCLSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838157 1205356322 /nfs/dbraw/zinc/35/63/22/1205356322.db2.gz NQZXHPWLKQLHSG-NQAWJTCLSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001092838157 1205356325 /nfs/dbraw/zinc/35/63/25/1205356325.db2.gz NQZXHPWLKQLHSG-NQAWJTCLSA-N 2 1 360.458 0.722 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001092838157 1205356329 /nfs/dbraw/zinc/35/63/29/1205356329.db2.gz NQZXHPWLKQLHSG-NQAWJTCLSA-N 2 1 360.458 0.722 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220480091 1224887912 /nfs/dbraw/zinc/88/79/12/1224887912.db2.gz NMRLEFGHPKCHOO-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220480091 1224887916 /nfs/dbraw/zinc/88/79/16/1224887916.db2.gz NMRLEFGHPKCHOO-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC001092931235 1205961264 /nfs/dbraw/zinc/96/12/64/1205961264.db2.gz ISUGIXSTBJTUTF-UKRRQHHQSA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC001092931235 1205961270 /nfs/dbraw/zinc/96/12/70/1205961270.db2.gz ISUGIXSTBJTUTF-UKRRQHHQSA-N 2 1 365.478 0.742 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220547735 1224921268 /nfs/dbraw/zinc/92/12/68/1224921268.db2.gz FAKSEVQHFIRMBN-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220547735 1224921273 /nfs/dbraw/zinc/92/12/73/1224921273.db2.gz FAKSEVQHFIRMBN-KSZLIROESA-N 2 1 369.506 0.219 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220550575 1224922378 /nfs/dbraw/zinc/92/23/78/1224922378.db2.gz ZEWMMNGAEWLOMD-KSZLIROESA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220550575 1224922384 /nfs/dbraw/zinc/92/23/84/1224922384.db2.gz ZEWMMNGAEWLOMD-KSZLIROESA-N 2 1 364.490 0.950 20 0 FCADMP CCn1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093133942 1206032168 /nfs/dbraw/zinc/03/21/68/1206032168.db2.gz QSQFGRSFAMUAMQ-GDBMZVCRSA-N 2 1 360.506 0.886 20 0 FCADMP CCn1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC001093133942 1206032171 /nfs/dbraw/zinc/03/21/71/1206032171.db2.gz QSQFGRSFAMUAMQ-GDBMZVCRSA-N 2 1 360.506 0.886 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194046 1206052739 /nfs/dbraw/zinc/05/27/39/1206052739.db2.gz VIXRPRHJURYCSE-FVQBIDKESA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194046 1206052742 /nfs/dbraw/zinc/05/27/42/1206052742.db2.gz VIXRPRHJURYCSE-FVQBIDKESA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194046 1206052748 /nfs/dbraw/zinc/05/27/48/1206052748.db2.gz VIXRPRHJURYCSE-FVQBIDKESA-N 2 1 360.506 0.828 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194046 1206052750 /nfs/dbraw/zinc/05/27/50/1206052750.db2.gz VIXRPRHJURYCSE-FVQBIDKESA-N 2 1 360.506 0.828 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194386 1206053287 /nfs/dbraw/zinc/05/32/87/1206053287.db2.gz YGZZKQMPMOKDON-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)n1 ZINC001093194386 1206053290 /nfs/dbraw/zinc/05/32/90/1206053290.db2.gz YGZZKQMPMOKDON-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)n1 ZINC001093194386 1206053291 /nfs/dbraw/zinc/05/32/91/1206053291.db2.gz YGZZKQMPMOKDON-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001093194386 1206053292 /nfs/dbraw/zinc/05/32/92/1206053292.db2.gz YGZZKQMPMOKDON-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093281839 1206072011 /nfs/dbraw/zinc/07/20/11/1206072011.db2.gz VAGKXZJNBYRHHO-UMVBOHGHSA-N 2 1 363.462 0.313 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001093673219 1206099478 /nfs/dbraw/zinc/09/94/78/1206099478.db2.gz MJEUHKQOYICQQB-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691110 1206100866 /nfs/dbraw/zinc/10/08/66/1206100866.db2.gz JCJRZZBEOPESAT-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691110 1206100873 /nfs/dbraw/zinc/10/08/73/1206100873.db2.gz JCJRZZBEOPESAT-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093821338 1206123433 /nfs/dbraw/zinc/12/34/33/1206123433.db2.gz ZYRIGDPEMMFSBD-BRWVUGGUSA-N 2 1 362.522 0.977 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001093878855 1206141007 /nfs/dbraw/zinc/14/10/07/1206141007.db2.gz ADVJJWLSLMKZJH-ZIAGYGMSSA-N 2 1 360.462 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093879321 1206141508 /nfs/dbraw/zinc/14/15/08/1206141508.db2.gz USAOWWAWATUXRX-CHWSQXEVSA-N 2 1 361.450 0.363 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001093921150 1206149991 /nfs/dbraw/zinc/14/99/91/1206149991.db2.gz KDQHQWSJXIEHKQ-RHSMWYFYSA-N 2 1 357.458 0.775 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150920 1206152004 /nfs/dbraw/zinc/15/20/04/1206152004.db2.gz NYKZTQQCZBNFLJ-KBXIAJHMSA-N 2 1 365.478 0.167 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150920 1206152005 /nfs/dbraw/zinc/15/20/05/1206152005.db2.gz NYKZTQQCZBNFLJ-KBXIAJHMSA-N 2 1 365.478 0.167 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001094042142 1206174228 /nfs/dbraw/zinc/17/42/28/1206174228.db2.gz LHCIXOGLWWRWEF-ARFHVFGLSA-N 2 1 363.510 0.609 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)C2 ZINC001094043642 1206175073 /nfs/dbraw/zinc/17/50/73/1206175073.db2.gz QWERZEVJUVYADC-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001094080589 1206181226 /nfs/dbraw/zinc/18/12/26/1206181226.db2.gz IVOLVLRYTICJHZ-OAGGEKHMSA-N 2 1 361.490 0.921 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001094110245 1206185428 /nfs/dbraw/zinc/18/54/28/1206185428.db2.gz CMQSSZFFLQSPDK-IIAWOOMASA-N 2 1 364.494 0.581 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094137013 1206191156 /nfs/dbraw/zinc/19/11/56/1206191156.db2.gz DZMDIDDRBNURMG-CPUCHLNUSA-N 2 1 368.441 0.454 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094220799 1206203354 /nfs/dbraw/zinc/20/33/54/1206203354.db2.gz WCVZQFVQGDHZMV-RBSFLKMASA-N 2 1 362.474 0.883 20 0 FCADMP Cn1cncc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384930 1206223013 /nfs/dbraw/zinc/22/30/13/1206223013.db2.gz RMGJOGLUJQBVFM-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cncc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384930 1206223015 /nfs/dbraw/zinc/22/30/15/1206223015.db2.gz RMGJOGLUJQBVFM-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cncc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384930 1206223018 /nfs/dbraw/zinc/22/30/18/1206223018.db2.gz RMGJOGLUJQBVFM-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cn1cncc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384930 1206223020 /nfs/dbraw/zinc/22/30/20/1206223020.db2.gz RMGJOGLUJQBVFM-YQVWRLOYSA-N 2 1 361.490 0.612 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@]13CCC[C@H]1[N@H+](CC(N)=O)CC3)CC2 ZINC001094498101 1206232118 /nfs/dbraw/zinc/23/21/18/1206232118.db2.gz YCKVQHQFGDLERZ-IDHHARJASA-N 2 1 359.474 0.600 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@]13CCC[C@H]1[N@@H+](CC(N)=O)CC3)CC2 ZINC001094498101 1206232120 /nfs/dbraw/zinc/23/21/20/1206232120.db2.gz YCKVQHQFGDLERZ-IDHHARJASA-N 2 1 359.474 0.600 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCCC2=O)CC3)C1 ZINC001094577033 1206239669 /nfs/dbraw/zinc/23/96/69/1206239669.db2.gz AFIISFUDSDJRLG-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCCC2=O)CC3)C1 ZINC001094577033 1206239673 /nfs/dbraw/zinc/23/96/73/1206239673.db2.gz AFIISFUDSDJRLG-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCN2CCCC2=O)CC3)C1 ZINC001094577033 1206239676 /nfs/dbraw/zinc/23/96/76/1206239676.db2.gz AFIISFUDSDJRLG-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485757 1206249370 /nfs/dbraw/zinc/24/93/70/1206249370.db2.gz DHYZHGOFMOXZSZ-ZMSDIMECSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H](CCCC[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485757 1206249377 /nfs/dbraw/zinc/24/93/77/1206249377.db2.gz DHYZHGOFMOXZSZ-ZMSDIMECSA-N 2 1 368.522 0.496 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1 ZINC001172251708 1206260389 /nfs/dbraw/zinc/26/03/89/1206260389.db2.gz VPVVAVYOKFJALR-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1 ZINC001172251708 1206260393 /nfs/dbraw/zinc/26/03/93/1206260393.db2.gz VPVVAVYOKFJALR-RCCFBDPRSA-N 2 1 369.506 0.291 20 0 FCADMP COC(=O)N1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CC1 ZINC001172737733 1206263840 /nfs/dbraw/zinc/26/38/40/1206263840.db2.gz JYSMJWMDCDJBNS-PVAVHDDUSA-N 2 1 362.478 0.904 20 0 FCADMP COC(=O)N1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CC1 ZINC001172737733 1206263845 /nfs/dbraw/zinc/26/38/45/1206263845.db2.gz JYSMJWMDCDJBNS-PVAVHDDUSA-N 2 1 362.478 0.904 20 0 FCADMP COC(=O)N1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CC1 ZINC001172737733 1206263850 /nfs/dbraw/zinc/26/38/50/1206263850.db2.gz JYSMJWMDCDJBNS-PVAVHDDUSA-N 2 1 362.478 0.904 20 0 FCADMP COC(=O)N1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CC1 ZINC001172737733 1206263854 /nfs/dbraw/zinc/26/38/54/1206263854.db2.gz JYSMJWMDCDJBNS-PVAVHDDUSA-N 2 1 362.478 0.904 20 0 FCADMP COC(=O)[C@H]1C[C@H]([NH+]2CCN(CC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173485478 1206274212 /nfs/dbraw/zinc/27/42/12/1206274212.db2.gz FFHBJIBHTPAAJP-QZTJIDSGSA-N 2 1 374.485 0.409 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC2)CC1 ZINC001173758878 1206288574 /nfs/dbraw/zinc/28/85/74/1206288574.db2.gz HIDUKZUIFGLMFU-IRXDYDNUSA-N 2 1 361.494 0.643 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](O)Cn2cccn2)CC[N@H+]1C ZINC001178523448 1206358953 /nfs/dbraw/zinc/35/89/53/1206358953.db2.gz ZMTRACGNWZNJRI-KZNAEPCWSA-N 2 1 365.522 0.850 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCc2ccnn2C)O1 ZINC001178811353 1206365742 /nfs/dbraw/zinc/36/57/42/1206365742.db2.gz SHPYFULBBUJWKW-SJLPKXTDSA-N 2 1 365.522 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCc2ccnn2C)O1 ZINC001178811353 1206365744 /nfs/dbraw/zinc/36/57/44/1206365744.db2.gz SHPYFULBBUJWKW-SJLPKXTDSA-N 2 1 365.522 0.948 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220583366 1224949857 /nfs/dbraw/zinc/94/98/57/1224949857.db2.gz VYJAGASHCIQNFF-QRVBRYPASA-N 2 1 363.502 0.747 20 0 FCADMP Cc1nonc1C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181873508 1206416516 /nfs/dbraw/zinc/41/65/16/1206416516.db2.gz AUDUCBSNAQZIDS-ZHCAMHROSA-N 2 1 365.478 0.671 20 0 FCADMP Cc1nonc1C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181873508 1206416517 /nfs/dbraw/zinc/41/65/17/1206416517.db2.gz AUDUCBSNAQZIDS-ZHCAMHROSA-N 2 1 365.478 0.671 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1nncn1C ZINC001181874365 1206416642 /nfs/dbraw/zinc/41/66/42/1206416642.db2.gz LKRCOFSHHACGHY-ATNYBXOESA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1nncn1C ZINC001181874365 1206416643 /nfs/dbraw/zinc/41/66/43/1206416643.db2.gz LKRCOFSHHACGHY-ATNYBXOESA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001181980191 1206418154 /nfs/dbraw/zinc/41/81/54/1206418154.db2.gz XXMMBAVYFUAPCS-QGZVFWFLSA-N 2 1 374.533 0.703 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001181994780 1206418577 /nfs/dbraw/zinc/41/85/77/1206418577.db2.gz SLTHHMBVUJGBSC-SFHVURJKSA-N 2 1 361.490 0.818 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182031508 1206419061 /nfs/dbraw/zinc/41/90/61/1206419061.db2.gz NDMSGQURWFDUNN-IEBWSBKVSA-N 2 1 365.518 0.650 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccc(O)cc3)C2)CC[N@H+]1C ZINC001182684966 1206442412 /nfs/dbraw/zinc/44/24/12/1206442412.db2.gz WWKAGAICNKJBOS-FRFSOERESA-N 2 1 360.458 0.861 20 0 FCADMP CC(C)N(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(C)C ZINC001183576252 1206456449 /nfs/dbraw/zinc/45/64/49/1206456449.db2.gz ILFAQZGNMRSMQA-BRWVUGGUSA-N 2 1 368.522 0.541 20 0 FCADMP CC(C)N(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(C)C ZINC001183576252 1206456451 /nfs/dbraw/zinc/45/64/51/1206456451.db2.gz ILFAQZGNMRSMQA-BRWVUGGUSA-N 2 1 368.522 0.541 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001184058382 1206464169 /nfs/dbraw/zinc/46/41/69/1206464169.db2.gz UJPVPXNWGNUAHJ-IBGZPJMESA-N 2 1 368.522 0.405 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001184058382 1206464171 /nfs/dbraw/zinc/46/41/71/1206464171.db2.gz UJPVPXNWGNUAHJ-IBGZPJMESA-N 2 1 368.522 0.405 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001185251749 1206476913 /nfs/dbraw/zinc/47/69/13/1206476913.db2.gz OUJUGSWISWOSIR-WSTZPKSXSA-N 2 1 364.534 0.439 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185251749 1206476914 /nfs/dbraw/zinc/47/69/14/1206476914.db2.gz OUJUGSWISWOSIR-WSTZPKSXSA-N 2 1 364.534 0.439 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185251749 1206476915 /nfs/dbraw/zinc/47/69/15/1206476915.db2.gz OUJUGSWISWOSIR-WSTZPKSXSA-N 2 1 364.534 0.439 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001185251271 1206477231 /nfs/dbraw/zinc/47/72/31/1206477231.db2.gz MHXSVPDMNFMPCL-FAJBIJEISA-N 2 1 373.501 0.427 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001185251271 1206477232 /nfs/dbraw/zinc/47/72/32/1206477232.db2.gz MHXSVPDMNFMPCL-FAJBIJEISA-N 2 1 373.501 0.427 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001186044819 1206492507 /nfs/dbraw/zinc/49/25/07/1206492507.db2.gz KXIGSQQPGLSNLK-OAHLLOKOSA-N 2 1 355.442 0.781 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001186044819 1206492508 /nfs/dbraw/zinc/49/25/08/1206492508.db2.gz KXIGSQQPGLSNLK-OAHLLOKOSA-N 2 1 355.442 0.781 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)C1 ZINC001220651954 1224990981 /nfs/dbraw/zinc/99/09/81/1224990981.db2.gz STSFUKFXZRAVKF-KRWDZBQOSA-N 2 1 359.518 0.785 20 0 FCADMP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)C1CC1 ZINC001187944499 1207403727 /nfs/dbraw/zinc/40/37/27/1207403727.db2.gz JPGDPTIDZPGVOR-RCCFBDPRSA-N 2 1 360.502 0.387 20 0 FCADMP Cc1nc2c([nH]1)C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001188383661 1207448719 /nfs/dbraw/zinc/44/87/19/1207448719.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 1 362.474 0.365 20 0 FCADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)C2 ZINC001188383661 1207448722 /nfs/dbraw/zinc/44/87/22/1207448722.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 1 362.474 0.365 20 0 FCADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001188383661 1207448726 /nfs/dbraw/zinc/44/87/26/1207448726.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 1 362.474 0.365 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405856 1207454806 /nfs/dbraw/zinc/45/48/06/1207454806.db2.gz QUFXXZWZDRPQGE-BHYGNILZSA-N 2 1 359.474 0.705 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019026 1207496048 /nfs/dbraw/zinc/49/60/48/1207496048.db2.gz ZAXUSGSZZOUKLP-ZWKOTPCHSA-N 2 1 366.506 0.014 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019120 1207496670 /nfs/dbraw/zinc/49/66/70/1207496670.db2.gz ZZZQRLBNQKAEBB-ZWKOTPCHSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019120 1207496677 /nfs/dbraw/zinc/49/66/77/1207496677.db2.gz ZZZQRLBNQKAEBB-ZWKOTPCHSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001188979579 1207496773 /nfs/dbraw/zinc/49/67/73/1207496773.db2.gz RANZGDTWDMSDDM-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001188979579 1207496776 /nfs/dbraw/zinc/49/67/76/1207496776.db2.gz RANZGDTWDMSDDM-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001189062278 1207498275 /nfs/dbraw/zinc/49/82/75/1207498275.db2.gz PYNALDWYHWQZIZ-LZLYRXPVSA-N 2 1 365.474 0.642 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317425 1207532130 /nfs/dbraw/zinc/53/21/30/1207532130.db2.gz PAFFLYWDKNCFEO-GVDBMIGSSA-N 2 1 364.490 0.937 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317425 1207532136 /nfs/dbraw/zinc/53/21/36/1207532136.db2.gz PAFFLYWDKNCFEO-GVDBMIGSSA-N 2 1 364.490 0.937 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001189424876 1207547138 /nfs/dbraw/zinc/54/71/38/1207547138.db2.gz GBQMSGKAAUOYJH-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001189424876 1207547141 /nfs/dbraw/zinc/54/71/41/1207547141.db2.gz GBQMSGKAAUOYJH-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001189454227 1207557131 /nfs/dbraw/zinc/55/71/31/1207557131.db2.gz VEBMFSYQHYUGNZ-LSDHHAIUSA-N 2 1 367.494 0.226 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819874 1207604503 /nfs/dbraw/zinc/60/45/03/1207604503.db2.gz BUQNBSAMXHRXAQ-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819874 1207604511 /nfs/dbraw/zinc/60/45/11/1207604511.db2.gz BUQNBSAMXHRXAQ-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801968 1207609996 /nfs/dbraw/zinc/60/99/96/1207609996.db2.gz PBAXGDZOIKRLJH-YESZJQIVSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801968 1207610001 /nfs/dbraw/zinc/61/00/01/1207610001.db2.gz PBAXGDZOIKRLJH-YESZJQIVSA-N 2 1 368.522 0.258 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189850927 1207616869 /nfs/dbraw/zinc/61/68/69/1207616869.db2.gz BJPVVWZUTBZAFJ-OKZBNKHCSA-N 2 1 363.506 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149229 1207649389 /nfs/dbraw/zinc/64/93/89/1207649389.db2.gz VEIKPLFYWBRGBU-HRCADAONSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149229 1207649394 /nfs/dbraw/zinc/64/93/94/1207649394.db2.gz VEIKPLFYWBRGBU-HRCADAONSA-N 2 1 365.522 0.569 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190149229 1207649398 /nfs/dbraw/zinc/64/93/98/1207649398.db2.gz VEIKPLFYWBRGBU-HRCADAONSA-N 2 1 365.522 0.569 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688803 1225016672 /nfs/dbraw/zinc/01/66/72/1225016672.db2.gz QLGYGABUVFAWCR-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688803 1225016682 /nfs/dbraw/zinc/01/66/82/1225016682.db2.gz QLGYGABUVFAWCR-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220688803 1225016691 /nfs/dbraw/zinc/01/66/91/1225016691.db2.gz QLGYGABUVFAWCR-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786214 1207809379 /nfs/dbraw/zinc/80/93/79/1207809379.db2.gz YPDZVMUQWTYJHL-CEXWTWQISA-N 2 1 361.486 0.849 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786214 1207809380 /nfs/dbraw/zinc/80/93/80/1207809380.db2.gz YPDZVMUQWTYJHL-CEXWTWQISA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786214 1207809382 /nfs/dbraw/zinc/80/93/82/1207809382.db2.gz YPDZVMUQWTYJHL-CEXWTWQISA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001191786214 1207809383 /nfs/dbraw/zinc/80/93/83/1207809383.db2.gz YPDZVMUQWTYJHL-CEXWTWQISA-N 2 1 361.486 0.849 20 0 FCADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068422 1207856642 /nfs/dbraw/zinc/85/66/42/1207856642.db2.gz SMZPKQAHSNFCRV-CGTJXYLNSA-N 2 1 365.522 0.902 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001193447012 1207873248 /nfs/dbraw/zinc/87/32/48/1207873248.db2.gz HBSAKOJMXRYZRL-GVDBMIGSSA-N 2 1 369.485 0.341 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001193447012 1207873251 /nfs/dbraw/zinc/87/32/51/1207873251.db2.gz HBSAKOJMXRYZRL-GVDBMIGSSA-N 2 1 369.485 0.341 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC2(CN(C(=O)C[N@H+](C)CC)C2)O1 ZINC001273666964 1207896565 /nfs/dbraw/zinc/89/65/65/1207896565.db2.gz XYXUCEZVJAWERO-INIZCTEOSA-N 2 1 368.522 0.498 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001193902578 1207898196 /nfs/dbraw/zinc/89/81/96/1207898196.db2.gz UJFGLTTXCWTJHM-ARFHVFGLSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001193902578 1207898197 /nfs/dbraw/zinc/89/81/97/1207898197.db2.gz UJFGLTTXCWTJHM-ARFHVFGLSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC001193902578 1207898200 /nfs/dbraw/zinc/89/82/00/1207898200.db2.gz UJFGLTTXCWTJHM-ARFHVFGLSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC001193902578 1207898201 /nfs/dbraw/zinc/89/82/01/1207898201.db2.gz UJFGLTTXCWTJHM-ARFHVFGLSA-N 2 1 365.478 0.346 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@H]1O)[NH+](C)C ZINC001194102069 1207918677 /nfs/dbraw/zinc/91/86/77/1207918677.db2.gz ATFONTYVTCEBBS-BZUAXINKSA-N 2 1 365.474 0.576 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@H]1O)[NH+](C)C ZINC001194102069 1207918683 /nfs/dbraw/zinc/91/86/83/1207918683.db2.gz ATFONTYVTCEBBS-BZUAXINKSA-N 2 1 365.474 0.576 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289264 1207934221 /nfs/dbraw/zinc/93/42/21/1207934221.db2.gz GQXHWLFJZWYAMO-QZTJIDSGSA-N 2 1 364.490 0.742 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1)C1CC1 ZINC001195640161 1208030496 /nfs/dbraw/zinc/03/04/96/1208030496.db2.gz BCFAIYXMNDYIHQ-ZACQAIPSSA-N 2 1 365.474 0.931 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC1 ZINC001195677115 1208032467 /nfs/dbraw/zinc/03/24/67/1208032467.db2.gz MNGUYGMNHHHASR-HZPDHXFCSA-N 2 1 359.430 0.226 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC1 ZINC001195677115 1208032472 /nfs/dbraw/zinc/03/24/72/1208032472.db2.gz MNGUYGMNHHHASR-HZPDHXFCSA-N 2 1 359.430 0.226 20 0 FCADMP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700813 1208035716 /nfs/dbraw/zinc/03/57/16/1208035716.db2.gz IINOFQGGLZPERQ-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001195701287 1208035740 /nfs/dbraw/zinc/03/57/40/1208035740.db2.gz LJNPQVDJIJVRIA-RCCFBDPRSA-N 2 1 367.465 0.232 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001195860019 1208041754 /nfs/dbraw/zinc/04/17/54/1208041754.db2.gz RYYWSVZXYLKZCN-HZPDHXFCSA-N 2 1 363.458 0.113 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1O ZINC001195869308 1208045024 /nfs/dbraw/zinc/04/50/24/1208045024.db2.gz BEQCDCQEPYURJI-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)[NH+](C)C ZINC001195972887 1208048505 /nfs/dbraw/zinc/04/85/05/1208048505.db2.gz LBMKGTQYHSMXOM-BRWVUGGUSA-N 2 1 362.474 0.033 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001196185477 1208059921 /nfs/dbraw/zinc/05/99/21/1208059921.db2.gz VSNLHBZNUFQJTN-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001196185477 1208059925 /nfs/dbraw/zinc/05/99/25/1208059925.db2.gz VSNLHBZNUFQJTN-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001196185477 1208059926 /nfs/dbraw/zinc/05/99/26/1208059926.db2.gz VSNLHBZNUFQJTN-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222212 1208067377 /nfs/dbraw/zinc/06/73/77/1208067377.db2.gz JWERTXWJEOJOGD-BZUAXINKSA-N 2 1 370.538 0.286 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252306 1208069225 /nfs/dbraw/zinc/06/92/25/1208069225.db2.gz XMWYFEPRBOKFHD-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O)[NH+](C)C ZINC001196276876 1208072087 /nfs/dbraw/zinc/07/20/87/1208072087.db2.gz YVQORFOLBRLKRF-FGTMMUONSA-N 2 1 361.486 0.666 20 0 FCADMP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)n1ccnc1 ZINC001196459852 1208085838 /nfs/dbraw/zinc/08/58/38/1208085838.db2.gz DOKMGOUIXRVSOL-IAOVAPTHSA-N 2 1 371.441 0.295 20 0 FCADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798807 1208107212 /nfs/dbraw/zinc/10/72/12/1208107212.db2.gz UGMHNLAWQCJCPG-KBAYOESNSA-N 2 1 365.522 0.902 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001197048792 1208131058 /nfs/dbraw/zinc/13/10/58/1208131058.db2.gz GUJYBEUPHKRPJO-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001197048792 1208131060 /nfs/dbraw/zinc/13/10/60/1208131060.db2.gz GUJYBEUPHKRPJO-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197018482 1208132435 /nfs/dbraw/zinc/13/24/35/1208132435.db2.gz VCIZYOKNJZQYBU-KURKYZTESA-N 2 1 365.522 0.490 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001197319676 1208152297 /nfs/dbraw/zinc/15/22/97/1208152297.db2.gz OCOBISNMOICMBF-QZTJIDSGSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536284 1208172208 /nfs/dbraw/zinc/17/22/08/1208172208.db2.gz RBKWLGFUUJOVCH-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536284 1208172209 /nfs/dbraw/zinc/17/22/09/1208172209.db2.gz RBKWLGFUUJOVCH-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001197536284 1208172211 /nfs/dbraw/zinc/17/22/11/1208172211.db2.gz RBKWLGFUUJOVCH-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197926818 1208206093 /nfs/dbraw/zinc/20/60/93/1208206093.db2.gz YQZTYXKQOIJWMD-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197926818 1208206097 /nfs/dbraw/zinc/20/60/97/1208206097.db2.gz YQZTYXKQOIJWMD-KZNAEPCWSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197926817 1208206215 /nfs/dbraw/zinc/20/62/15/1208206215.db2.gz YQZTYXKQOIJWMD-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197926817 1208206216 /nfs/dbraw/zinc/20/62/16/1208206216.db2.gz YQZTYXKQOIJWMD-FGTMMUONSA-N 2 1 367.465 0.752 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004047 1208211189 /nfs/dbraw/zinc/21/11/89/1208211189.db2.gz SFBLDKYHJDFMAV-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004047 1208211192 /nfs/dbraw/zinc/21/11/92/1208211192.db2.gz SFBLDKYHJDFMAV-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001198004047 1208211194 /nfs/dbraw/zinc/21/11/94/1208211194.db2.gz SFBLDKYHJDFMAV-GUDVDZBRSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001198021410 1208214870 /nfs/dbraw/zinc/21/48/70/1208214870.db2.gz ZZGUDOXQFJONFL-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001198021410 1208214873 /nfs/dbraw/zinc/21/48/73/1208214873.db2.gz ZZGUDOXQFJONFL-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001198021410 1208214874 /nfs/dbraw/zinc/21/48/74/1208214874.db2.gz ZZGUDOXQFJONFL-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@H]1O ZINC001198021410 1208214877 /nfs/dbraw/zinc/21/48/77/1208214877.db2.gz ZZGUDOXQFJONFL-IAGOWNOFSA-N 2 1 362.474 0.049 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199023456 1208310271 /nfs/dbraw/zinc/31/02/71/1208310271.db2.gz KLVMSGBMOZSLDF-KZNAEPCWSA-N 2 1 369.506 0.219 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001199064679 1208315230 /nfs/dbraw/zinc/31/52/30/1208315230.db2.gz NLPKJPBHUOMGHT-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001199064679 1208315233 /nfs/dbraw/zinc/31/52/33/1208315233.db2.gz NLPKJPBHUOMGHT-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199063985 1208315257 /nfs/dbraw/zinc/31/52/57/1208315257.db2.gz DFVFCBXQYWHAJQ-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199063985 1208315260 /nfs/dbraw/zinc/31/52/60/1208315260.db2.gz DFVFCBXQYWHAJQ-QZTJIDSGSA-N 2 1 365.474 0.186 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064367 1208315420 /nfs/dbraw/zinc/31/54/20/1208315420.db2.gz HFXCUTVOUFMBDY-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064367 1208315423 /nfs/dbraw/zinc/31/54/23/1208315423.db2.gz HFXCUTVOUFMBDY-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP COc1ccc(OCCN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001199104655 1208318195 /nfs/dbraw/zinc/31/81/95/1208318195.db2.gz QVMAPRXFDKIPTF-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199104655 1208318198 /nfs/dbraw/zinc/31/81/98/1208318198.db2.gz QVMAPRXFDKIPTF-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001199104655 1208318199 /nfs/dbraw/zinc/31/81/99/1208318199.db2.gz QVMAPRXFDKIPTF-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001199104655 1208318203 /nfs/dbraw/zinc/31/82/03/1208318203.db2.gz QVMAPRXFDKIPTF-QZTJIDSGSA-N 2 1 365.474 0.576 20 0 FCADMP Cc1ncoc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119489 1208322590 /nfs/dbraw/zinc/32/25/90/1208322590.db2.gz HGSIZKAWGHRNRH-JFIYKMOQSA-N 2 1 358.442 0.947 20 0 FCADMP C[NH+]1CCN(c2ccncc2C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001199358205 1208342539 /nfs/dbraw/zinc/34/25/39/1208342539.db2.gz ZAZYPGHKUCJEEW-OAHLLOKOSA-N 2 1 367.457 0.622 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001199397803 1208343731 /nfs/dbraw/zinc/34/37/31/1208343731.db2.gz CEFZXCGFNQQLAW-KZNAEPCWSA-N 2 1 358.442 0.558 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220764725 1225061059 /nfs/dbraw/zinc/06/10/59/1225061059.db2.gz UJMYSUXLAIOLRK-MSOLQXFVSA-N 2 1 365.474 0.113 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220764725 1225061068 /nfs/dbraw/zinc/06/10/68/1225061068.db2.gz UJMYSUXLAIOLRK-MSOLQXFVSA-N 2 1 365.474 0.113 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220764130 1225061243 /nfs/dbraw/zinc/06/12/43/1225061243.db2.gz AGVNHFPZIKSNIJ-MSOLQXFVSA-N 2 1 365.474 0.195 20 0 FCADMP CCCc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768690 1225062052 /nfs/dbraw/zinc/06/20/52/1225062052.db2.gz YQNCFNZZVARZQD-MOPGFXCFSA-N 2 1 363.502 0.879 20 0 FCADMP CCN(C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201229981 1208449306 /nfs/dbraw/zinc/44/93/06/1208449306.db2.gz KAGMIYVKTHFKSG-RHSMWYFYSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001201229981 1208449308 /nfs/dbraw/zinc/44/93/08/1208449308.db2.gz KAGMIYVKTHFKSG-RHSMWYFYSA-N 2 1 366.506 0.297 20 0 FCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)C1=O ZINC001489202621 1208664322 /nfs/dbraw/zinc/66/43/22/1208664322.db2.gz LTTMRVBBEABSGI-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826210 1225091186 /nfs/dbraw/zinc/09/11/86/1225091186.db2.gz SFBLDKYHJDFMAV-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826210 1225091192 /nfs/dbraw/zinc/09/11/92/1225091192.db2.gz SFBLDKYHJDFMAV-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220826210 1225091196 /nfs/dbraw/zinc/09/11/96/1225091196.db2.gz SFBLDKYHJDFMAV-OTWHNJEPSA-N 2 1 363.502 0.483 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001489545965 1208909005 /nfs/dbraw/zinc/90/90/05/1208909005.db2.gz LOXYHBQDQBDZPU-INMHGKMJSA-N 2 1 356.511 0.256 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001489589379 1209008658 /nfs/dbraw/zinc/00/86/58/1209008658.db2.gz DSDZEEYGHSKGRW-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1=O)Cc1ccc2ccccc2c1 ZINC001220872472 1225118492 /nfs/dbraw/zinc/11/84/92/1225118492.db2.gz WGHSUQQOYPCCOU-SFHVURJKSA-N 2 1 354.454 0.648 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC001490051393 1209228857 /nfs/dbraw/zinc/22/88/57/1209228857.db2.gz UDFXGZOIBKXCBU-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001490051393 1209228860 /nfs/dbraw/zinc/22/88/60/1209228860.db2.gz UDFXGZOIBKXCBU-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC001490051393 1209228864 /nfs/dbraw/zinc/22/88/64/1209228864.db2.gz UDFXGZOIBKXCBU-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CNCCC[NH3+])CC2)c1 ZINC001220913516 1225137127 /nfs/dbraw/zinc/13/71/27/1225137127.db2.gz UUTJVLAPXWKLHL-UHFFFAOYSA-N 2 1 362.474 0.492 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851741588 1209517940 /nfs/dbraw/zinc/51/79/40/1209517940.db2.gz LFAOBDQHUPPSQC-OPYAIIAOSA-N 2 1 374.529 0.850 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000852184612 1209536240 /nfs/dbraw/zinc/53/62/40/1209536240.db2.gz NDEOOFQVIBNXPV-OAQYLSRUSA-N 2 1 374.529 0.852 20 0 FCADMP O=C1OCCN1[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437186 1209549531 /nfs/dbraw/zinc/54/95/31/1209549531.db2.gz VEWMFMQSJAEIOP-HOTGVXAUSA-N 2 1 366.462 0.820 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110668081 1209591918 /nfs/dbraw/zinc/59/19/18/1209591918.db2.gz VZVCGQNLBDULLI-ZJPYXAASSA-N 2 1 366.506 0.201 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001110671188 1209598121 /nfs/dbraw/zinc/59/81/21/1209598121.db2.gz WXHZNUIPGLABBM-XDNAFOTISA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001110671188 1209598127 /nfs/dbraw/zinc/59/81/27/1209598127.db2.gz WXHZNUIPGLABBM-XDNAFOTISA-N 2 1 361.490 0.450 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001110671188 1209598132 /nfs/dbraw/zinc/59/81/32/1209598132.db2.gz WXHZNUIPGLABBM-XDNAFOTISA-N 2 1 361.490 0.450 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)CC(O)CC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000856073719 1209694277 /nfs/dbraw/zinc/69/42/77/1209694277.db2.gz VZVDUKKEJYZLQQ-HOTGVXAUSA-N 2 1 368.522 0.329 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001110746619 1209790111 /nfs/dbraw/zinc/79/01/11/1209790111.db2.gz WIQKUPKTOLOLIE-BDXSIMOUSA-N 2 1 371.485 0.908 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001110746619 1209790117 /nfs/dbraw/zinc/79/01/17/1209790117.db2.gz WIQKUPKTOLOLIE-BDXSIMOUSA-N 2 1 371.485 0.908 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861759094 1209880183 /nfs/dbraw/zinc/88/01/83/1209880183.db2.gz MEZSILOFQPVSHO-UXLLHSPISA-N 2 1 362.474 0.198 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861759094 1209880185 /nfs/dbraw/zinc/88/01/85/1209880185.db2.gz MEZSILOFQPVSHO-UXLLHSPISA-N 2 1 362.474 0.198 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861759095 1209880248 /nfs/dbraw/zinc/88/02/48/1209880248.db2.gz MEZSILOFQPVSHO-YQQAZPJKSA-N 2 1 362.474 0.198 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861759095 1209880249 /nfs/dbraw/zinc/88/02/49/1209880249.db2.gz MEZSILOFQPVSHO-YQQAZPJKSA-N 2 1 362.474 0.198 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000863322589 1209938275 /nfs/dbraw/zinc/93/82/75/1209938275.db2.gz ZWZRHEMMGMCABF-OAHLLOKOSA-N 2 1 370.494 0.112 20 0 FCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000863322589 1209938278 /nfs/dbraw/zinc/93/82/78/1209938278.db2.gz ZWZRHEMMGMCABF-OAHLLOKOSA-N 2 1 370.494 0.112 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H](F)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000868535291 1210068542 /nfs/dbraw/zinc/06/85/42/1210068542.db2.gz RBQSOUMWCVCEJF-IDHPPYADSA-N 2 1 366.481 0.433 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H](F)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000868535291 1210068545 /nfs/dbraw/zinc/06/85/45/1210068545.db2.gz RBQSOUMWCVCEJF-IDHPPYADSA-N 2 1 366.481 0.433 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H](F)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000868535291 1210068548 /nfs/dbraw/zinc/06/85/48/1210068548.db2.gz RBQSOUMWCVCEJF-IDHPPYADSA-N 2 1 366.481 0.433 20 0 FCADMP CC[NH+](CC(=O)N1CCO[C@H](CNC(=O)C[N@H+](CC)C2CC2)C1)C1CC1 ZINC000871460754 1210155892 /nfs/dbraw/zinc/15/58/92/1210155892.db2.gz CQIDVCITLYJLEP-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)CCO1)C1CC1 ZINC000871460754 1210155894 /nfs/dbraw/zinc/15/58/94/1210155894.db2.gz CQIDVCITLYJLEP-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP CC[NH+](CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CCO1)C1CC1 ZINC000871460754 1210155900 /nfs/dbraw/zinc/15/59/00/1210155900.db2.gz CQIDVCITLYJLEP-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073225 1225210250 /nfs/dbraw/zinc/21/02/50/1225210250.db2.gz LQENEDSLWBKIGF-KSZLIROESA-N 2 1 371.522 0.057 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696407 1210495447 /nfs/dbraw/zinc/49/54/47/1210495447.db2.gz PGQZTFDVLXBULT-GDAAHCPNSA-N 2 1 361.486 0.298 20 0 FCADMP O=C(C[NH+]1CC[C@H](CF)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880292766 1210526479 /nfs/dbraw/zinc/52/64/79/1210526479.db2.gz VKLXNZNORZJIIO-HZPDHXFCSA-N 2 1 372.460 0.240 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091059 1225217703 /nfs/dbraw/zinc/21/77/03/1225217703.db2.gz AHOCWCDWSLWOAX-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091059 1225217710 /nfs/dbraw/zinc/21/77/10/1225217710.db2.gz AHOCWCDWSLWOAX-FGTMMUONSA-N 2 1 363.506 0.244 20 0 FCADMP CC[NH+]1CC[C@H]1CNC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882483486 1210622240 /nfs/dbraw/zinc/62/22/40/1210622240.db2.gz BLCLFTLAUQWNIS-IRXDYDNUSA-N 2 1 359.474 0.730 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001221121776 1225229200 /nfs/dbraw/zinc/22/92/00/1225229200.db2.gz RDBMONQKBKRLLM-QGZVFWFLSA-N 3 1 373.501 0.229 20 0 FCADMP CN1C[C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001221121776 1225229205 /nfs/dbraw/zinc/22/92/05/1225229205.db2.gz RDBMONQKBKRLLM-QGZVFWFLSA-N 2 1 373.501 0.229 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]1 ZINC000883606669 1210674315 /nfs/dbraw/zinc/67/43/15/1210674315.db2.gz YUNWZXSTHIWQHG-MAUKXSAKSA-N 2 1 371.485 0.730 20 0 FCADMP C[C@@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]C1 ZINC000883611403 1210674975 /nfs/dbraw/zinc/67/49/75/1210674975.db2.gz XPSSOWCUCITDIZ-YLJYHZDGSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@]1(NC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC[NH2+]C1 ZINC000883611402 1210675121 /nfs/dbraw/zinc/67/51/21/1210675121.db2.gz XPSSOWCUCITDIZ-XLIONFOSSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883609972 1210675210 /nfs/dbraw/zinc/67/52/10/1210675210.db2.gz JOSKCFOWUQEKPU-FHLIZLRMSA-N 2 1 371.485 0.715 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000883654037 1210680083 /nfs/dbraw/zinc/68/00/83/1210680083.db2.gz QORXRIUWTXLQEV-OAHLLOKOSA-N 2 1 368.522 0.410 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000883654037 1210680087 /nfs/dbraw/zinc/68/00/87/1210680087.db2.gz QORXRIUWTXLQEV-OAHLLOKOSA-N 2 1 368.522 0.410 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000883655313 1210680900 /nfs/dbraw/zinc/68/09/00/1210680900.db2.gz AKAMSTOVBJSBFP-AEFFLSMTSA-N 2 1 374.485 0.721 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccnc(N4CC[NH2+]CC4)c3)CC2)C1 ZINC000884236320 1210725675 /nfs/dbraw/zinc/72/56/75/1210725675.db2.gz RDNUVDPFJBJEGU-SFHVURJKSA-N 2 1 372.517 0.343 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000884337568 1210730821 /nfs/dbraw/zinc/73/08/21/1210730821.db2.gz NPOGQHONHOPMMJ-QGZVFWFLSA-N 2 1 352.442 0.673 20 0 FCADMP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389548 1210733149 /nfs/dbraw/zinc/73/31/49/1210733149.db2.gz AFQJIBBNAPDIAA-OAGGEKHMSA-N 2 1 361.490 0.719 20 0 FCADMP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389548 1210733155 /nfs/dbraw/zinc/73/31/55/1210733155.db2.gz AFQJIBBNAPDIAA-OAGGEKHMSA-N 2 1 361.490 0.719 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000884503468 1210740284 /nfs/dbraw/zinc/74/02/84/1210740284.db2.gz LZLPSKMROZPVNA-NXHRZFHOSA-N 2 1 358.486 0.615 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000884522973 1210744806 /nfs/dbraw/zinc/74/48/06/1210744806.db2.gz MTQAKZWNMBBNGL-AYOQOUSVSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000884522973 1210744813 /nfs/dbraw/zinc/74/48/13/1210744813.db2.gz MTQAKZWNMBBNGL-AYOQOUSVSA-N 2 1 370.497 0.902 20 0 FCADMP CCN(C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000884539841 1210746238 /nfs/dbraw/zinc/74/62/38/1210746238.db2.gz MAXSRXXUYMETLT-GOSISDBHSA-N 2 1 374.485 0.345 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000884553678 1210748582 /nfs/dbraw/zinc/74/85/82/1210748582.db2.gz FAROWOGXNIKZCI-XOKHGSTOSA-N 2 1 356.470 0.559 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884555790 1210750458 /nfs/dbraw/zinc/75/04/58/1210750458.db2.gz ZYPQVOJIZHGFOI-QGPMSJSTSA-N 2 1 358.486 0.662 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884555789 1210750538 /nfs/dbraw/zinc/75/05/38/1210750538.db2.gz ZYPQVOJIZHGFOI-KYJSFNMBSA-N 2 1 358.486 0.662 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884559795 1210751332 /nfs/dbraw/zinc/75/13/32/1210751332.db2.gz FFYJXVHCGJMBBW-IDHPPYADSA-N 2 1 370.497 0.808 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884559795 1210751341 /nfs/dbraw/zinc/75/13/41/1210751341.db2.gz FFYJXVHCGJMBBW-IDHPPYADSA-N 2 1 370.497 0.808 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884603525 1210760386 /nfs/dbraw/zinc/76/03/86/1210760386.db2.gz LPPNHKXFHDGJJL-ROUUACIJSA-N 2 1 374.485 0.044 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884616702 1210763501 /nfs/dbraw/zinc/76/35/01/1210763501.db2.gz ARMIJHRPGVMNSD-ROUUACIJSA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884627369 1210765648 /nfs/dbraw/zinc/76/56/48/1210765648.db2.gz NDCDJJJBASUQHV-WMLDXEAASA-N 2 1 356.470 0.418 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884649451 1210772566 /nfs/dbraw/zinc/77/25/66/1210772566.db2.gz DBHWCFAHZYHQIN-PKOBYXMFSA-N 2 1 370.497 0.950 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884669940 1210775637 /nfs/dbraw/zinc/77/56/37/1210775637.db2.gz KRLQFLDQDDMYSZ-IRXDYDNUSA-N 2 1 367.538 0.106 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675876 1210776912 /nfs/dbraw/zinc/77/69/12/1210776912.db2.gz TZFMYQNKYXNNKW-DOTOQJQBSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000884673864 1210777072 /nfs/dbraw/zinc/77/70/72/1210777072.db2.gz HUQCXQYZQOGPLA-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000884673864 1210777077 /nfs/dbraw/zinc/77/70/77/1210777077.db2.gz HUQCXQYZQOGPLA-QZTJIDSGSA-N 2 1 374.485 0.180 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884676765 1210778064 /nfs/dbraw/zinc/77/80/64/1210778064.db2.gz XGVJFOTWJVIDHW-WMZOPIPTSA-N 2 1 360.502 0.987 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690175 1210781459 /nfs/dbraw/zinc/78/14/59/1210781459.db2.gz OZXQDMKUDKCVEQ-DOTOQJQBSA-N 2 1 358.486 0.739 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884691623 1210782638 /nfs/dbraw/zinc/78/26/38/1210782638.db2.gz MTJPOVXIKKXZIQ-AOIWGVFYSA-N 2 1 372.513 0.987 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000884703981 1210783282 /nfs/dbraw/zinc/78/32/82/1210783282.db2.gz QYLLVNMVLQZRFK-RDJZCZTQSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000884703981 1210783291 /nfs/dbraw/zinc/78/32/91/1210783291.db2.gz QYLLVNMVLQZRFK-RDJZCZTQSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000884703979 1210783561 /nfs/dbraw/zinc/78/35/61/1210783561.db2.gz QYLLVNMVLQZRFK-DOTOQJQBSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000884703979 1210783566 /nfs/dbraw/zinc/78/35/66/1210783566.db2.gz QYLLVNMVLQZRFK-DOTOQJQBSA-N 2 1 362.474 0.166 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884704289 1210783821 /nfs/dbraw/zinc/78/38/21/1210783821.db2.gz ZSWHQNFQNRDJSJ-OXFYSEKESA-N 2 1 358.486 0.820 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884708481 1210784430 /nfs/dbraw/zinc/78/44/30/1210784430.db2.gz ARYJHRWBXGGYHX-OXJNMPFZSA-N 2 1 358.486 0.820 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@H]21 ZINC000884725992 1210791003 /nfs/dbraw/zinc/79/10/03/1210791003.db2.gz DLIOEDFUROUJHE-GPJARZKNSA-N 2 1 374.529 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832838 1210800143 /nfs/dbraw/zinc/80/01/43/1210800143.db2.gz AWKYQRYPKNKFKL-SOLBZPMBSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835240 1210800269 /nfs/dbraw/zinc/80/02/69/1210800269.db2.gz NMLKMHKNAXDGND-JFIYKMOQSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884834478 1210800430 /nfs/dbraw/zinc/80/04/30/1210800430.db2.gz XCKUJOULTQMWAL-DSLXNQLJSA-N 2 1 370.497 0.834 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884833429 1210800565 /nfs/dbraw/zinc/80/05/65/1210800565.db2.gz KOHWHCPLQTUAQW-FUHWJXTLSA-N 2 1 360.502 0.939 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850762 1210801436 /nfs/dbraw/zinc/80/14/36/1210801436.db2.gz AAWQRIMKNFALPP-MJGOQNOKSA-N 2 1 370.497 0.891 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[NH2+]C1 ZINC000884878561 1210802436 /nfs/dbraw/zinc/80/24/36/1210802436.db2.gz AHUHLYCEESQPOU-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000884885177 1210803026 /nfs/dbraw/zinc/80/30/26/1210803026.db2.gz UYRRNRUYDIWSFU-HOTGVXAUSA-N 2 1 366.506 0.062 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000884895786 1210803257 /nfs/dbraw/zinc/80/32/57/1210803257.db2.gz NJLXRUNAJTYVIJ-KURKYZTESA-N 2 1 358.486 0.615 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885139616 1210811844 /nfs/dbraw/zinc/81/18/44/1210811844.db2.gz KGKCLPMOEUJKCV-PMPSAXMXSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153876 1210813118 /nfs/dbraw/zinc/81/31/18/1210813118.db2.gz MTIFQMFPZBYGHJ-MAUKXSAKSA-N 2 1 358.486 0.665 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153875 1210813205 /nfs/dbraw/zinc/81/32/05/1210813205.db2.gz MTIFQMFPZBYGHJ-CRAIPNDOSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000885156133 1210813740 /nfs/dbraw/zinc/81/37/40/1210813740.db2.gz MPMCMDPOJZDOIQ-OLMNPRSZSA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000885162621 1210814232 /nfs/dbraw/zinc/81/42/32/1210814232.db2.gz QJIOGLSDAJVHQD-CEXWTWQISA-N 2 1 370.497 0.760 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167676 1210814511 /nfs/dbraw/zinc/81/45/11/1210814511.db2.gz ORSYMDMASDIFID-QZTJIDSGSA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885167834 1210814599 /nfs/dbraw/zinc/81/45/99/1210814599.db2.gz PRRVOSRHVRQUMH-GUDVDZBRSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872083 1210838417 /nfs/dbraw/zinc/83/84/17/1210838417.db2.gz IVDOXVGKMHISLL-PXNSSMCTSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872083 1210838418 /nfs/dbraw/zinc/83/84/18/1210838418.db2.gz IVDOXVGKMHISLL-PXNSSMCTSA-N 2 1 372.517 0.979 20 0 FCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000886881188 1210839152 /nfs/dbraw/zinc/83/91/52/1210839152.db2.gz SXBMNSIQGSGFGA-XLAORIBOSA-N 2 1 357.454 0.857 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000886969209 1210841093 /nfs/dbraw/zinc/84/10/93/1210841093.db2.gz TWYKIUTVSGMLTN-UHFFFAOYSA-N 2 1 365.478 0.016 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)CC[C@H]21 ZINC000887080733 1210846458 /nfs/dbraw/zinc/84/64/58/1210846458.db2.gz DVACNXDIAUZPKR-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887130587 1210849255 /nfs/dbraw/zinc/84/92/55/1210849255.db2.gz HFIRQRVKZGNSDC-HZPDHXFCSA-N 2 1 359.474 0.671 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887130587 1210849258 /nfs/dbraw/zinc/84/92/58/1210849258.db2.gz HFIRQRVKZGNSDC-HZPDHXFCSA-N 2 1 359.474 0.671 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274083524 1210875891 /nfs/dbraw/zinc/87/58/91/1210875891.db2.gz IEBREMAZNBDYFP-TWOQFEAHSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001274204808 1210910288 /nfs/dbraw/zinc/91/02/88/1210910288.db2.gz YFUJITWSPRTCJD-UHFFFAOYSA-N 2 1 361.490 0.681 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001274202585 1210910685 /nfs/dbraw/zinc/91/06/85/1210910685.db2.gz GOTQIHMLBQMDIP-SFHVURJKSA-N 2 1 361.490 0.681 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1=O ZINC000887933349 1210921182 /nfs/dbraw/zinc/92/11/82/1210921182.db2.gz NHTDFPXQCRWVHH-NHAYFPRASA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933349 1210921185 /nfs/dbraw/zinc/92/11/85/1210921185.db2.gz NHTDFPXQCRWVHH-NHAYFPRASA-N 2 1 362.518 0.729 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1=O ZINC000887933349 1210921188 /nfs/dbraw/zinc/92/11/88/1210921188.db2.gz NHTDFPXQCRWVHH-NHAYFPRASA-N 2 1 362.518 0.729 20 0 FCADMP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184066 1225258716 /nfs/dbraw/zinc/25/87/16/1225258716.db2.gz QSCSWTXWCYCVHL-XSLAGTTESA-N 2 1 374.485 0.761 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001274576478 1211083956 /nfs/dbraw/zinc/08/39/56/1211083956.db2.gz YYVLNCBQQQOLKO-KRWDZBQOSA-N 2 1 366.506 0.108 20 0 FCADMP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001274576478 1211083960 /nfs/dbraw/zinc/08/39/60/1211083960.db2.gz YYVLNCBQQQOLKO-KRWDZBQOSA-N 2 1 366.506 0.108 20 0 FCADMP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@@H+](C)CCN3C)(C1)CCC2 ZINC001275172283 1211188902 /nfs/dbraw/zinc/18/89/02/1211188902.db2.gz UQXQCSWHPYXIPS-NZSAHSFTSA-N 2 1 368.522 0.404 20 0 FCADMP Cn1cnc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)c1 ZINC001275365796 1211223580 /nfs/dbraw/zinc/22/35/80/1211223580.db2.gz QJYQMVWIPUKRCZ-GOSISDBHSA-N 2 1 356.430 0.658 20 0 FCADMP Cn1cnc(CN2CCC[C@@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)c1 ZINC001275365796 1211223583 /nfs/dbraw/zinc/22/35/83/1211223583.db2.gz QJYQMVWIPUKRCZ-GOSISDBHSA-N 2 1 356.430 0.658 20 0 FCADMP COc1ncccc1C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275378692 1211225971 /nfs/dbraw/zinc/22/59/71/1211225971.db2.gz BQQCHVIQEVNBPY-IBGZPJMESA-N 2 1 360.458 0.993 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001275444427 1211239180 /nfs/dbraw/zinc/23/91/80/1211239180.db2.gz XVCMFURQODMWFN-SFHVURJKSA-N 2 1 362.430 0.456 20 0 FCADMP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275444427 1211239186 /nfs/dbraw/zinc/23/91/86/1211239186.db2.gz XVCMFURQODMWFN-SFHVURJKSA-N 2 1 362.430 0.456 20 0 FCADMP Cc1noc(CN2C[C@@]3(CCN(Cc4cnccc4N)C3)OCC2=O)n1 ZINC001275455194 1211241078 /nfs/dbraw/zinc/24/10/78/1211241078.db2.gz GUSIMUZVMSKAHE-KRWDZBQOSA-N 2 1 358.402 0.189 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001275512626 1211252834 /nfs/dbraw/zinc/25/28/34/1211252834.db2.gz SVCREMUFHBHEGP-OAGGEKHMSA-N 2 1 369.506 0.828 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001275512626 1211252837 /nfs/dbraw/zinc/25/28/37/1211252837.db2.gz SVCREMUFHBHEGP-OAGGEKHMSA-N 2 1 369.506 0.828 20 0 FCADMP Cn1cnnc1CN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275513187 1211253112 /nfs/dbraw/zinc/25/31/12/1211253112.db2.gz ZBKMICRJLUQGFH-GOSISDBHSA-N 2 1 364.494 0.206 20 0 FCADMP Cn1cnnc1CN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275513187 1211253115 /nfs/dbraw/zinc/25/31/15/1211253115.db2.gz ZBKMICRJLUQGFH-GOSISDBHSA-N 2 1 364.494 0.206 20 0 FCADMP CN(C)C(=O)CCN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275556648 1211256493 /nfs/dbraw/zinc/25/64/93/1211256493.db2.gz NHIZKKUAZVAWBV-LJQANCHMSA-N 2 1 366.506 0.110 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O)OC ZINC001275556989 1211256922 /nfs/dbraw/zinc/25/69/22/1211256922.db2.gz RLNQSTVLWFDLGK-LJQANCHMSA-N 2 1 367.490 0.788 20 0 FCADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001221244067 1225279624 /nfs/dbraw/zinc/27/96/24/1225279624.db2.gz PZCKAVBLHSCZOE-PXNSSMCTSA-N 2 1 371.485 0.754 20 0 FCADMP O=C1C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C(=O)N1Cc1ncccn1 ZINC001275736808 1211278823 /nfs/dbraw/zinc/27/88/23/1211278823.db2.gz HLHLJNLBAJCVAR-LJQANCHMSA-N 2 1 357.458 0.817 20 0 FCADMP O=C1C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C(=O)N1Cc1ncccn1 ZINC001275736806 1211279010 /nfs/dbraw/zinc/27/90/10/1211279010.db2.gz HLHLJNLBAJCVAR-IBGZPJMESA-N 2 1 357.458 0.817 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@@H]2CCCO2)CC1 ZINC001275804539 1211287270 /nfs/dbraw/zinc/28/72/70/1211287270.db2.gz SLRQESNHTUYPKM-IPMKNSEASA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H]2CCCO2)CC1 ZINC001275804539 1211287274 /nfs/dbraw/zinc/28/72/74/1211287274.db2.gz SLRQESNHTUYPKM-IPMKNSEASA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@@H]2CCCO2)CC1 ZINC001275804539 1211287277 /nfs/dbraw/zinc/28/72/77/1211287277.db2.gz SLRQESNHTUYPKM-IPMKNSEASA-N 2 1 364.534 0.868 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000363477412 1211294413 /nfs/dbraw/zinc/29/44/13/1211294413.db2.gz VUJQKPVOWKLLMA-DLBZAZTESA-N 2 1 363.506 0.563 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879270 1211305960 /nfs/dbraw/zinc/30/59/60/1211305960.db2.gz PIIOHGGFMGXPRM-APWZRJJASA-N 2 1 359.474 0.622 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879270 1211305964 /nfs/dbraw/zinc/30/59/64/1211305964.db2.gz PIIOHGGFMGXPRM-APWZRJJASA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879270 1211305966 /nfs/dbraw/zinc/30/59/66/1211305966.db2.gz PIIOHGGFMGXPRM-APWZRJJASA-N 2 1 359.474 0.622 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CN(Cc2ncccn2)C(=O)CO3)C1 ZINC001275879270 1211305968 /nfs/dbraw/zinc/30/59/68/1211305968.db2.gz PIIOHGGFMGXPRM-APWZRJJASA-N 2 1 359.474 0.622 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001276184607 1211375751 /nfs/dbraw/zinc/37/57/51/1211375751.db2.gz AQPVYWLAYSXRRK-IAGOWNOFSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C[NH+]1CCC1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001276184607 1211375754 /nfs/dbraw/zinc/37/57/54/1211375754.db2.gz AQPVYWLAYSXRRK-IAGOWNOFSA-N 2 1 360.502 0.674 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccn4ccnc34)C2)OCC1=O ZINC001276224279 1211384163 /nfs/dbraw/zinc/38/41/63/1211384163.db2.gz DVYJVSLVFDDMOD-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247532 1211391958 /nfs/dbraw/zinc/39/19/58/1211391958.db2.gz PQTSMAPXHBBIGI-ACJLOTCBSA-N 2 1 362.430 0.570 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606139 1211423312 /nfs/dbraw/zinc/42/33/12/1211423312.db2.gz SYYVWBUCWWFILW-QZWWFDLISA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606139 1211423314 /nfs/dbraw/zinc/42/33/14/1211423314.db2.gz SYYVWBUCWWFILW-QZWWFDLISA-N 2 1 360.502 0.863 20 0 FCADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000924720950 1211478360 /nfs/dbraw/zinc/47/83/60/1211478360.db2.gz CCKAXYXWSWNCEL-IBGZPJMESA-N 2 1 372.513 0.819 20 0 FCADMP Cc1cc(N2CCC([NH2+][C@@H]3C(=O)NCC34CCOCC4)CC2)nc(C)[nH+]1 ZINC000925223351 1211493522 /nfs/dbraw/zinc/49/35/22/1211493522.db2.gz GYPIINWZYADXIC-QGZVFWFLSA-N 2 1 359.474 0.947 20 0 FCADMP O=C(CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)N1CCN(c2ccccn2)CC1 ZINC000925545561 1211502154 /nfs/dbraw/zinc/50/21/54/1211502154.db2.gz YZALTVBZNQVWRD-HRYJEPKJSA-N 2 1 355.486 0.706 20 0 FCADMP C(C[N@@H+]1CCC[C@@H](N[C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768330 1211507925 /nfs/dbraw/zinc/50/79/25/1211507925.db2.gz JOUHUBZNSWRZHB-FYQPLNBISA-N 2 1 366.550 0.530 20 0 FCADMP C(C[N@H+]1CCC[C@@H](N[C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768330 1211507927 /nfs/dbraw/zinc/50/79/27/1211507927.db2.gz JOUHUBZNSWRZHB-FYQPLNBISA-N 2 1 366.550 0.530 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000927643514 1211578149 /nfs/dbraw/zinc/57/81/49/1211578149.db2.gz JEEIYJRBFXCMNT-SFHVURJKSA-N 2 1 366.506 0.746 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000927648400 1211579114 /nfs/dbraw/zinc/57/91/14/1211579114.db2.gz KCFZSQRKENTOCL-RCCFBDPRSA-N 2 1 366.506 0.480 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CN(CC(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928556293 1211604559 /nfs/dbraw/zinc/60/45/59/1211604559.db2.gz PCDWBFUXQBTQNB-QZTJIDSGSA-N 2 1 373.501 0.134 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001110956346 1211614963 /nfs/dbraw/zinc/61/49/63/1211614963.db2.gz FAHDFLFMIHNXDK-QXSJWSMHSA-N 2 1 358.490 0.829 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)CC1 ZINC001110956543 1211615035 /nfs/dbraw/zinc/61/50/35/1211615035.db2.gz NROHABBWSDYHQC-KFWWJZLASA-N 2 1 362.474 0.199 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C)N1CCCC1 ZINC000929178928 1211621505 /nfs/dbraw/zinc/62/15/05/1211621505.db2.gz BNYMWBNMIQITSJ-NVXWUHKLSA-N 2 1 374.485 0.769 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000929662319 1211654450 /nfs/dbraw/zinc/65/44/50/1211654450.db2.gz YJUFISCQMIRXMC-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000929662319 1211654453 /nfs/dbraw/zinc/65/44/53/1211654453.db2.gz YJUFISCQMIRXMC-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000929662319 1211654456 /nfs/dbraw/zinc/65/44/56/1211654456.db2.gz YJUFISCQMIRXMC-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000929662319 1211654460 /nfs/dbraw/zinc/65/44/60/1211654460.db2.gz YJUFISCQMIRXMC-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976918 1211656321 /nfs/dbraw/zinc/65/63/21/1211656321.db2.gz XJACHYCABHNZCY-ZACQAIPSSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976918 1211656323 /nfs/dbraw/zinc/65/63/23/1211656323.db2.gz XJACHYCABHNZCY-ZACQAIPSSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585962 1211715194 /nfs/dbraw/zinc/71/51/94/1211715194.db2.gz VSCJSESNTNAJTF-FXAWDEMLSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000930585962 1211715197 /nfs/dbraw/zinc/71/51/97/1211715197.db2.gz VSCJSESNTNAJTF-FXAWDEMLSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000930585962 1211715202 /nfs/dbraw/zinc/71/52/02/1211715202.db2.gz VSCJSESNTNAJTF-FXAWDEMLSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000930585962 1211715205 /nfs/dbraw/zinc/71/52/05/1211715205.db2.gz VSCJSESNTNAJTF-FXAWDEMLSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000930719358 1211719783 /nfs/dbraw/zinc/71/97/83/1211719783.db2.gz ASUIMRBBELQRMR-QGZVFWFLSA-N 2 1 359.474 0.897 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931433509 1211756296 /nfs/dbraw/zinc/75/62/96/1211756296.db2.gz BPCQHTFNIDBWNO-OLZOCXBDSA-N 2 1 360.414 0.947 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931433509 1211756300 /nfs/dbraw/zinc/75/63/00/1211756300.db2.gz BPCQHTFNIDBWNO-OLZOCXBDSA-N 2 1 360.414 0.947 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931433509 1211756303 /nfs/dbraw/zinc/75/63/03/1211756303.db2.gz BPCQHTFNIDBWNO-OLZOCXBDSA-N 2 1 360.414 0.947 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931433509 1211756307 /nfs/dbraw/zinc/75/63/07/1211756307.db2.gz BPCQHTFNIDBWNO-OLZOCXBDSA-N 2 1 360.414 0.947 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000931607874 1211762761 /nfs/dbraw/zinc/76/27/61/1211762761.db2.gz ODBRNCWZTNLLHZ-OAHLLOKOSA-N 2 1 361.490 0.954 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000931611482 1211763536 /nfs/dbraw/zinc/76/35/36/1211763536.db2.gz VEIHCNONBMUEFY-RHSMWYFYSA-N 2 1 359.474 0.707 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000931879480 1211778399 /nfs/dbraw/zinc/77/83/99/1211778399.db2.gz YQDWBGQOIQICKI-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000931879480 1211778401 /nfs/dbraw/zinc/77/84/01/1211778401.db2.gz YQDWBGQOIQICKI-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879480 1211778402 /nfs/dbraw/zinc/77/84/02/1211778402.db2.gz YQDWBGQOIQICKI-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000931879480 1211778404 /nfs/dbraw/zinc/77/84/04/1211778404.db2.gz YQDWBGQOIQICKI-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000931882611 1211778455 /nfs/dbraw/zinc/77/84/55/1211778455.db2.gz NXYXNQKKRWFDAG-INIZCTEOSA-N 2 1 362.474 0.406 20 0 FCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000931882611 1211778459 /nfs/dbraw/zinc/77/84/59/1211778459.db2.gz NXYXNQKKRWFDAG-INIZCTEOSA-N 2 1 362.474 0.406 20 0 FCADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931887400 1211780987 /nfs/dbraw/zinc/78/09/87/1211780987.db2.gz SBIGFVBKGNBNLI-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000931887400 1211780998 /nfs/dbraw/zinc/78/09/98/1211780998.db2.gz SBIGFVBKGNBNLI-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000931887400 1211781005 /nfs/dbraw/zinc/78/10/05/1211781005.db2.gz SBIGFVBKGNBNLI-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000931887400 1211781010 /nfs/dbraw/zinc/78/10/10/1211781010.db2.gz SBIGFVBKGNBNLI-MSOLQXFVSA-N 2 1 358.486 0.582 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021286 1211788240 /nfs/dbraw/zinc/78/82/40/1211788240.db2.gz RGPDZPYKUPDZQR-HPBDAGMYSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021286 1211788247 /nfs/dbraw/zinc/78/82/47/1211788247.db2.gz RGPDZPYKUPDZQR-HPBDAGMYSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021286 1211788256 /nfs/dbraw/zinc/78/82/56/1211788256.db2.gz RGPDZPYKUPDZQR-HPBDAGMYSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001111023544 1211796344 /nfs/dbraw/zinc/79/63/44/1211796344.db2.gz PCKJIQRTFCMEAR-JEWRLFTDSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001111023544 1211796351 /nfs/dbraw/zinc/79/63/51/1211796351.db2.gz PCKJIQRTFCMEAR-JEWRLFTDSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001111023544 1211796354 /nfs/dbraw/zinc/79/63/54/1211796354.db2.gz PCKJIQRTFCMEAR-JEWRLFTDSA-N 2 1 371.497 0.929 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000932819383 1211823341 /nfs/dbraw/zinc/82/33/41/1211823341.db2.gz VODXWAQNEUMWFU-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000932819383 1211823342 /nfs/dbraw/zinc/82/33/42/1211823342.db2.gz VODXWAQNEUMWFU-HOTGVXAUSA-N 2 1 359.474 0.861 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933841732 1211848838 /nfs/dbraw/zinc/84/88/38/1211848838.db2.gz KEPVQJVBMJKDFN-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933841732 1211848839 /nfs/dbraw/zinc/84/88/39/1211848839.db2.gz KEPVQJVBMJKDFN-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)O1 ZINC000947339974 1212017991 /nfs/dbraw/zinc/01/79/91/1212017991.db2.gz PJPFOIHARLIGEI-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)O1 ZINC000947339974 1212017997 /nfs/dbraw/zinc/01/79/97/1212017997.db2.gz PJPFOIHARLIGEI-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)O1 ZINC000947339974 1212018004 /nfs/dbraw/zinc/01/80/04/1212018004.db2.gz PJPFOIHARLIGEI-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000947339974 1212018009 /nfs/dbraw/zinc/01/80/09/1212018009.db2.gz PJPFOIHARLIGEI-DJIMGWMZSA-N 2 1 366.506 0.297 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000796579058 1212037104 /nfs/dbraw/zinc/03/71/04/1212037104.db2.gz BHSMKGQQBJMTEZ-FQEVSTJZSA-N 2 1 373.501 0.964 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001111277377 1212204213 /nfs/dbraw/zinc/20/42/13/1212204213.db2.gz OQHJVLFSXPVHMJ-KURKYZTESA-N 2 1 374.485 0.585 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001111277377 1212204216 /nfs/dbraw/zinc/20/42/16/1212204216.db2.gz OQHJVLFSXPVHMJ-KURKYZTESA-N 2 1 374.485 0.585 20 0 FCADMP CO[C@@H](C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124363 1212300199 /nfs/dbraw/zinc/30/01/99/1212300199.db2.gz WWMWRFJGGNUQEZ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP CO[C@@H](C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124363 1212300208 /nfs/dbraw/zinc/30/02/08/1212300208.db2.gz WWMWRFJGGNUQEZ-GVDBMIGSSA-N 2 1 369.506 0.434 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000949183539 1212315138 /nfs/dbraw/zinc/31/51/38/1212315138.db2.gz CQMOCXLHXYSIPD-DVOMOZLQSA-N 2 1 363.462 0.265 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000949183539 1212315147 /nfs/dbraw/zinc/31/51/47/1212315147.db2.gz CQMOCXLHXYSIPD-DVOMOZLQSA-N 2 1 363.462 0.265 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1 ZINC000949947934 1212490651 /nfs/dbraw/zinc/49/06/51/1212490651.db2.gz UJGDGUNYKYJYFA-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)C1 ZINC000949947934 1212490658 /nfs/dbraw/zinc/49/06/58/1212490658.db2.gz UJGDGUNYKYJYFA-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298685 1212493937 /nfs/dbraw/zinc/49/39/37/1212493937.db2.gz KZHUMEULMDAISV-KURKYZTESA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626522 1212541284 /nfs/dbraw/zinc/54/12/84/1212541284.db2.gz YIGMVYHHMCZWCQ-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626522 1212541292 /nfs/dbraw/zinc/54/12/92/1212541292.db2.gz YIGMVYHHMCZWCQ-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626522 1212541300 /nfs/dbraw/zinc/54/13/00/1212541300.db2.gz YIGMVYHHMCZWCQ-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001007626522 1212541306 /nfs/dbraw/zinc/54/13/06/1212541306.db2.gz YIGMVYHHMCZWCQ-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000950253999 1212543767 /nfs/dbraw/zinc/54/37/67/1212543767.db2.gz OIYDFJHSQSNSRU-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000950253999 1212543771 /nfs/dbraw/zinc/54/37/71/1212543771.db2.gz OIYDFJHSQSNSRU-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001007856533 1212592900 /nfs/dbraw/zinc/59/29/00/1212592900.db2.gz JQIJGZPEFGDVSB-GUXCAODWSA-N 2 1 360.502 0.531 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000779524035 1212651664 /nfs/dbraw/zinc/65/16/64/1212651664.db2.gz YESSLBLWSMCSMM-UHFFFAOYSA-N 2 1 373.501 0.931 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008210338 1212661341 /nfs/dbraw/zinc/66/13/41/1212661341.db2.gz WURBDQUXONGABE-BMFZPTHFSA-N 2 1 361.490 0.885 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001008210338 1212661345 /nfs/dbraw/zinc/66/13/45/1212661345.db2.gz WURBDQUXONGABE-BMFZPTHFSA-N 2 1 361.490 0.885 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCCCC2)O1 ZINC000950793737 1212677413 /nfs/dbraw/zinc/67/74/13/1212677413.db2.gz UVEVJEMBXIXCEA-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC[NH+]2CCCCC2)O1 ZINC000950793737 1212677415 /nfs/dbraw/zinc/67/74/15/1212677415.db2.gz UVEVJEMBXIXCEA-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000950997412 1212734130 /nfs/dbraw/zinc/73/41/30/1212734130.db2.gz WKLZWAWFKPLITO-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000950997413 1212734589 /nfs/dbraw/zinc/73/45/89/1212734589.db2.gz WKLZWAWFKPLITO-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000953818310 1213019285 /nfs/dbraw/zinc/01/92/85/1213019285.db2.gz QFIPLVVBEROJHL-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000953818310 1213019290 /nfs/dbraw/zinc/01/92/90/1213019290.db2.gz QFIPLVVBEROJHL-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000953818310 1213019296 /nfs/dbraw/zinc/01/92/96/1213019296.db2.gz QFIPLVVBEROJHL-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000953818310 1213019299 /nfs/dbraw/zinc/01/92/99/1213019299.db2.gz QFIPLVVBEROJHL-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000954048672 1213035874 /nfs/dbraw/zinc/03/58/74/1213035874.db2.gz AFJBRGYAGANKKN-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000954048672 1213035880 /nfs/dbraw/zinc/03/58/80/1213035880.db2.gz AFJBRGYAGANKKN-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)O1 ZINC000954048672 1213035883 /nfs/dbraw/zinc/03/58/83/1213035883.db2.gz AFJBRGYAGANKKN-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)O1 ZINC000954048672 1213035888 /nfs/dbraw/zinc/03/58/88/1213035888.db2.gz AFJBRGYAGANKKN-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)O1 ZINC000954048672 1213035892 /nfs/dbraw/zinc/03/58/92/1213035892.db2.gz AFJBRGYAGANKKN-HLLBOEOZSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CCN3CCOCC3)C2)CC[N@H+]1C ZINC000954412773 1213071562 /nfs/dbraw/zinc/07/15/62/1213071562.db2.gz OFZMDEXFKSBUCQ-DLBZAZTESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000954412773 1213071567 /nfs/dbraw/zinc/07/15/67/1213071567.db2.gz OFZMDEXFKSBUCQ-DLBZAZTESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000954412773 1213071573 /nfs/dbraw/zinc/07/15/73/1213071573.db2.gz OFZMDEXFKSBUCQ-DLBZAZTESA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648025 1213097898 /nfs/dbraw/zinc/09/78/98/1213097898.db2.gz HPZCPXWBVHCLCM-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000954648025 1213097903 /nfs/dbraw/zinc/09/79/03/1213097903.db2.gz HPZCPXWBVHCLCM-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954648025 1213097908 /nfs/dbraw/zinc/09/79/08/1213097908.db2.gz HPZCPXWBVHCLCM-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954648025 1213097913 /nfs/dbraw/zinc/09/79/13/1213097913.db2.gz HPZCPXWBVHCLCM-DJIMGWMZSA-N 2 1 366.506 0.248 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000956992051 1213227423 /nfs/dbraw/zinc/22/74/23/1213227423.db2.gz CUZYHQLICLQMMN-QBPKDAKJSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000956992028 1213227494 /nfs/dbraw/zinc/22/74/94/1213227494.db2.gz CLGQLGVYOPKRFN-GDBMZVCRSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566610 1213323832 /nfs/dbraw/zinc/32/38/32/1213323832.db2.gz TZXBUDBAKKTMJZ-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566610 1213323836 /nfs/dbraw/zinc/32/38/36/1213323836.db2.gz TZXBUDBAKKTMJZ-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CCOC(=O)CC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncn3C)C2)C1 ZINC001276318074 1213404190 /nfs/dbraw/zinc/40/41/90/1213404190.db2.gz UAWQOPVMTUQURZ-SFHVURJKSA-N 2 1 364.446 0.424 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1COC(C)(C)OC1)C2 ZINC001276345552 1213424958 /nfs/dbraw/zinc/42/49/58/1213424958.db2.gz CZYGUZWIPWZHSU-LJQANCHMSA-N 2 1 369.506 0.498 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21)C1CCC1 ZINC000960532435 1213808050 /nfs/dbraw/zinc/80/80/50/1213808050.db2.gz MGYXNDCWSBTIAE-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001010683533 1213808391 /nfs/dbraw/zinc/80/83/91/1213808391.db2.gz WCYUAJADPFYTPS-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001010683533 1213808392 /nfs/dbraw/zinc/80/83/92/1213808392.db2.gz WCYUAJADPFYTPS-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001010683533 1213808393 /nfs/dbraw/zinc/80/83/93/1213808393.db2.gz WCYUAJADPFYTPS-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001011209601 1213850314 /nfs/dbraw/zinc/85/03/14/1213850314.db2.gz ICZLXEYGYMIOGW-KBAYOESNSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418864456 1213867075 /nfs/dbraw/zinc/86/70/75/1213867075.db2.gz QTQXYBVHPXJLKJ-PXNSSMCTSA-N 2 1 356.470 0.732 20 0 FCADMP C[C@H](COCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001221822988 1225492982 /nfs/dbraw/zinc/49/29/82/1225492982.db2.gz APKYTEHCLYMYNC-KZNAEPCWSA-N 2 1 369.506 0.029 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2cnn(C)c2)CC3)O1 ZINC001016686238 1214035919 /nfs/dbraw/zinc/03/59/19/1214035919.db2.gz WALRRPFOYJDHLX-OIISXLGYSA-N 2 1 361.490 0.610 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2cnn(C)c2)CC3)O1 ZINC001016686238 1214035925 /nfs/dbraw/zinc/03/59/25/1214035925.db2.gz WALRRPFOYJDHLX-OIISXLGYSA-N 2 1 361.490 0.610 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001017491443 1214103522 /nfs/dbraw/zinc/10/35/22/1214103522.db2.gz KCJQZTUZJZXZJY-FGTMMUONSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001017491443 1214103530 /nfs/dbraw/zinc/10/35/30/1214103530.db2.gz KCJQZTUZJZXZJY-FGTMMUONSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001017491443 1214103534 /nfs/dbraw/zinc/10/35/34/1214103534.db2.gz KCJQZTUZJZXZJY-FGTMMUONSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001017564725 1214118489 /nfs/dbraw/zinc/11/84/89/1214118489.db2.gz QXTLJTVUQXMYFF-NLNMYJFZSA-N 2 1 365.518 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)CC[N@H+]1C ZINC000961664673 1214260360 /nfs/dbraw/zinc/26/03/60/1214260360.db2.gz FNUJIHSMJMOPQQ-SOVHRIKKSA-N 2 1 362.518 0.584 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000961666125 1214261359 /nfs/dbraw/zinc/26/13/59/1214261359.db2.gz DLHYYHVRYFILHE-XLMAVXFVSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]3C2)CC[NH+]1C ZINC000961666125 1214261361 /nfs/dbraw/zinc/26/13/61/1214261361.db2.gz DLHYYHVRYFILHE-XLMAVXFVSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)CC[NH+]1C ZINC000961666125 1214261364 /nfs/dbraw/zinc/26/13/64/1214261364.db2.gz DLHYYHVRYFILHE-XLMAVXFVSA-N 2 1 362.518 0.728 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001020165807 1214314953 /nfs/dbraw/zinc/31/49/53/1214314953.db2.gz AOTKFHDVVPBZNV-SRABZTEZSA-N 2 1 363.462 0.553 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001020286584 1214327531 /nfs/dbraw/zinc/32/75/31/1214327531.db2.gz DZCNAGHBCDMHOW-VFPIZLKKSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001020286584 1214327537 /nfs/dbraw/zinc/32/75/37/1214327537.db2.gz DZCNAGHBCDMHOW-VFPIZLKKSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001020286585 1214327857 /nfs/dbraw/zinc/32/78/57/1214327857.db2.gz DZCNAGHBCDMHOW-XPLWTBFPSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C4CCC4)C3=O)C2)O1 ZINC001020286585 1214327866 /nfs/dbraw/zinc/32/78/66/1214327866.db2.gz DZCNAGHBCDMHOW-XPLWTBFPSA-N 2 1 364.490 0.096 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001020371882 1214346339 /nfs/dbraw/zinc/34/63/39/1214346339.db2.gz XPKPFONEGLLSDI-YQFWSFKMSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001020371882 1214346345 /nfs/dbraw/zinc/34/63/45/1214346345.db2.gz XPKPFONEGLLSDI-YQFWSFKMSA-N 2 1 366.506 0.153 20 0 FCADMP CCCc1nc(CNCC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961987711 1214392685 /nfs/dbraw/zinc/39/26/85/1214392685.db2.gz CMJZAYQXUNWMEF-XSCHDIRWSA-N 2 1 365.478 0.726 20 0 FCADMP CCCc1nc(CNCC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961987711 1214392693 /nfs/dbraw/zinc/39/26/93/1214392693.db2.gz CMJZAYQXUNWMEF-XSCHDIRWSA-N 2 1 365.478 0.726 20 0 FCADMP CC(C)c1nc(CNCC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961988296 1214392900 /nfs/dbraw/zinc/39/29/00/1214392900.db2.gz FVVCQGDZSZSECK-XSCHDIRWSA-N 2 1 365.478 0.897 20 0 FCADMP CC(C)c1nc(CNCC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961988296 1214392906 /nfs/dbraw/zinc/39/29/06/1214392906.db2.gz FVVCQGDZSZSECK-XSCHDIRWSA-N 2 1 365.478 0.897 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949883 1225548919 /nfs/dbraw/zinc/54/89/19/1225548919.db2.gz LRTUCJOUSUFXDT-GVDBMIGSSA-N 2 1 362.518 0.870 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949883 1225548924 /nfs/dbraw/zinc/54/89/24/1225548924.db2.gz LRTUCJOUSUFXDT-GVDBMIGSSA-N 2 1 362.518 0.870 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221950335 1225549116 /nfs/dbraw/zinc/54/91/16/1225549116.db2.gz CHBKCMGSUVQKGF-QZTJIDSGSA-N 2 1 363.506 0.611 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]CCn3cncn3)CC2)O1 ZINC000963539450 1214818834 /nfs/dbraw/zinc/81/88/34/1214818834.db2.gz SQBFLHQIIZRHLP-RDHHWEPZSA-N 2 1 364.494 0.356 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]CCn3cncn3)CC2)O1 ZINC000963539450 1214818836 /nfs/dbraw/zinc/81/88/36/1214818836.db2.gz SQBFLHQIIZRHLP-RDHHWEPZSA-N 2 1 364.494 0.356 20 0 FCADMP CN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4cnc[nH]4)C3)C2)C1=O ZINC000964016598 1214887234 /nfs/dbraw/zinc/88/72/34/1214887234.db2.gz MQIKJERCRDKFIU-QXZDORHBSA-N 2 1 357.458 0.761 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nncn2C)C3)O1 ZINC000964030518 1214890738 /nfs/dbraw/zinc/89/07/38/1214890738.db2.gz POXKVGGRQBVIOE-LLHKYXTOSA-N 2 1 362.478 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nncn2C)C3)O1 ZINC000964030518 1214890742 /nfs/dbraw/zinc/89/07/42/1214890742.db2.gz POXKVGGRQBVIOE-LLHKYXTOSA-N 2 1 362.478 0.051 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000966107993 1215162627 /nfs/dbraw/zinc/16/26/27/1215162627.db2.gz JWMVOAZCUYMKGM-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889461 1215263304 /nfs/dbraw/zinc/26/33/04/1215263304.db2.gz TVISYXLUOBRVLN-HXUWFJFHSA-N 2 1 372.513 0.866 20 0 FCADMP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889461 1215263308 /nfs/dbraw/zinc/26/33/08/1215263308.db2.gz TVISYXLUOBRVLN-HXUWFJFHSA-N 2 1 372.513 0.866 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC34CC4)CC2)CC[N@H+]1C ZINC001055653934 1215900806 /nfs/dbraw/zinc/90/08/06/1215900806.db2.gz AYYDACCEBFNLRN-OIISXLGYSA-N 2 1 362.518 0.824 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001000702654 1216108973 /nfs/dbraw/zinc/10/89/73/1216108973.db2.gz WARLGCOJQVCXJN-RDTXWAMCSA-N 2 1 360.506 0.983 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)n1 ZINC001000702654 1216108975 /nfs/dbraw/zinc/10/89/75/1216108975.db2.gz WARLGCOJQVCXJN-RDTXWAMCSA-N 2 1 360.506 0.983 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)n1 ZINC001000702654 1216108979 /nfs/dbraw/zinc/10/89/79/1216108979.db2.gz WARLGCOJQVCXJN-RDTXWAMCSA-N 2 1 360.506 0.983 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001222789210 1225653583 /nfs/dbraw/zinc/65/35/83/1225653583.db2.gz HMKPTBFKELHSTQ-ZACQAIPSSA-N 2 1 366.485 0.881 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001050328785 1216308212 /nfs/dbraw/zinc/30/82/12/1216308212.db2.gz LOQAHKWNAAUAQN-QCODTGAPSA-N 2 1 364.490 0.396 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccnn3C)CC2)O1 ZINC001050336150 1216308417 /nfs/dbraw/zinc/30/84/17/1216308417.db2.gz HSMBDPHKUDSHPF-YFHUEUNASA-N 2 1 363.506 0.904 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccnn3C)CC2)O1 ZINC001050336150 1216308425 /nfs/dbraw/zinc/30/84/25/1216308425.db2.gz HSMBDPHKUDSHPF-YFHUEUNASA-N 2 1 363.506 0.904 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCn2cncn2)CC3)CC[N@H+]1C ZINC001050523743 1216331081 /nfs/dbraw/zinc/33/10/81/1216331081.db2.gz IEOBJBHMBJWXOT-DLBZAZTESA-N 2 1 360.506 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnnn2C)CC3)CC[N@H+]1C ZINC001050523738 1216331605 /nfs/dbraw/zinc/33/16/05/1216331605.db2.gz IDMRUGLAVKFSLB-DLBZAZTESA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cncn2C)CC3)O1 ZINC001050562611 1216335706 /nfs/dbraw/zinc/33/57/06/1216335706.db2.gz CWNQNGARLVSGPM-NVXWUHKLSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cncn2C)CC3)O1 ZINC001050562611 1216335715 /nfs/dbraw/zinc/33/57/15/1216335715.db2.gz CWNQNGARLVSGPM-NVXWUHKLSA-N 2 1 361.490 0.564 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051623842 1216468250 /nfs/dbraw/zinc/46/82/50/1216468250.db2.gz JMVZWEVLXJCFPR-BZUAXINKSA-N 2 1 364.494 0.516 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051623842 1216468257 /nfs/dbraw/zinc/46/82/57/1216468257.db2.gz JMVZWEVLXJCFPR-BZUAXINKSA-N 2 1 364.494 0.516 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051623666 1216468455 /nfs/dbraw/zinc/46/84/55/1216468455.db2.gz JDLPTQYYEPPSCQ-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001051623666 1216468459 /nfs/dbraw/zinc/46/84/59/1216468459.db2.gz JDLPTQYYEPPSCQ-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000827449972 1216603574 /nfs/dbraw/zinc/60/35/74/1216603574.db2.gz ABTUMKOQBBOZCD-OAHLLOKOSA-N 2 1 356.430 0.450 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068873506 1216763597 /nfs/dbraw/zinc/76/35/97/1216763597.db2.gz BISXLLGEAGDVRS-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069928816 1216848418 /nfs/dbraw/zinc/84/84/18/1216848418.db2.gz KOIXIZLIADCCEY-CVEARBPZSA-N 2 1 360.466 0.102 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944968 1216858131 /nfs/dbraw/zinc/85/81/31/1216858131.db2.gz BVUKBPPPOWTTPF-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944968 1216858133 /nfs/dbraw/zinc/85/81/33/1216858133.db2.gz BVUKBPPPOWTTPF-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069944968 1216858134 /nfs/dbraw/zinc/85/81/34/1216858134.db2.gz BVUKBPPPOWTTPF-ZACQAIPSSA-N 2 1 364.494 0.265 20 0 FCADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276882150 1225699054 /nfs/dbraw/zinc/69/90/54/1225699054.db2.gz HXENIGGTQQMZJZ-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP COC(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276882150 1225699058 /nfs/dbraw/zinc/69/90/58/1225699058.db2.gz HXENIGGTQQMZJZ-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987993 1216885211 /nfs/dbraw/zinc/88/52/11/1216885211.db2.gz DHRGHFQRATYNPT-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987993 1216885212 /nfs/dbraw/zinc/88/52/12/1216885212.db2.gz DHRGHFQRATYNPT-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001069988291 1216885395 /nfs/dbraw/zinc/88/53/95/1216885395.db2.gz QLZMTZZYMTUJQO-SQNIBIBYSA-N 2 1 358.490 0.904 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001070009155 1216895857 /nfs/dbraw/zinc/89/58/57/1216895857.db2.gz MIUJYURGDGJMGZ-JQHSSLGASA-N 2 1 369.473 0.797 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001070009155 1216895858 /nfs/dbraw/zinc/89/58/58/1216895858.db2.gz MIUJYURGDGJMGZ-JQHSSLGASA-N 2 1 369.473 0.797 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001070009156 1216896049 /nfs/dbraw/zinc/89/60/49/1216896049.db2.gz MIUJYURGDGJMGZ-NXHRZFHOSA-N 2 1 369.473 0.797 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001070009156 1216896050 /nfs/dbraw/zinc/89/60/50/1216896050.db2.gz MIUJYURGDGJMGZ-NXHRZFHOSA-N 2 1 369.473 0.797 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046589 1216921356 /nfs/dbraw/zinc/92/13/56/1216921356.db2.gz FOJIKTFGLGCLRY-IKGGRYGDSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046589 1216921360 /nfs/dbraw/zinc/92/13/60/1216921360.db2.gz FOJIKTFGLGCLRY-IKGGRYGDSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046589 1216921364 /nfs/dbraw/zinc/92/13/64/1216921364.db2.gz FOJIKTFGLGCLRY-IKGGRYGDSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070046589 1216921366 /nfs/dbraw/zinc/92/13/66/1216921366.db2.gz FOJIKTFGLGCLRY-IKGGRYGDSA-N 2 1 364.494 0.265 20 0 FCADMP CCOC(=O)CCCC[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276888727 1225704752 /nfs/dbraw/zinc/70/47/52/1225704752.db2.gz HTTUYWHJZOEULH-LJQANCHMSA-N 2 1 369.506 0.832 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223500217 1225710406 /nfs/dbraw/zinc/71/04/06/1225710406.db2.gz OXIURJUZJIJKPX-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223500217 1225710408 /nfs/dbraw/zinc/71/04/08/1225710408.db2.gz OXIURJUZJIJKPX-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223500217 1225710411 /nfs/dbraw/zinc/71/04/11/1225710411.db2.gz OXIURJUZJIJKPX-NUJGCVRESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N4CCCC4)C3)C2)CC[N@H+]1C ZINC001041296313 1217270249 /nfs/dbraw/zinc/27/02/49/1217270249.db2.gz FTAIOYMLIGFSAA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N4CCCC4)C3)C2)CC[NH+]1C ZINC001041296313 1217270250 /nfs/dbraw/zinc/27/02/50/1217270250.db2.gz FTAIOYMLIGFSAA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)N4CCCC4)C3)C2)CC[NH+]1C ZINC001041296313 1217270252 /nfs/dbraw/zinc/27/02/52/1217270252.db2.gz FTAIOYMLIGFSAA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cncn4C)C3)C2)O1 ZINC001041402075 1217312635 /nfs/dbraw/zinc/31/26/35/1217312635.db2.gz GCBVKUXDJUBDCP-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cncn4C)C3)C2)O1 ZINC001041402075 1217312644 /nfs/dbraw/zinc/31/26/44/1217312644.db2.gz GCBVKUXDJUBDCP-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4cncn4C)C3)C2)O1 ZINC001041402075 1217312651 /nfs/dbraw/zinc/31/26/51/1217312651.db2.gz GCBVKUXDJUBDCP-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cncn4C)C3)C2)O1 ZINC001041402075 1217312656 /nfs/dbraw/zinc/31/26/56/1217312656.db2.gz GCBVKUXDJUBDCP-SZVBFZGTSA-N 2 1 361.490 0.564 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916257 1225746549 /nfs/dbraw/zinc/74/65/49/1225746549.db2.gz CZAMLCDUPQLMJF-NUJGCVRESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916257 1225746551 /nfs/dbraw/zinc/74/65/51/1225746551.db2.gz CZAMLCDUPQLMJF-NUJGCVRESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916257 1225746555 /nfs/dbraw/zinc/74/65/55/1225746555.db2.gz CZAMLCDUPQLMJF-NUJGCVRESA-N 2 1 362.518 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985032 1225749957 /nfs/dbraw/zinc/74/99/57/1225749957.db2.gz NVQADHGHWSCADE-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985032 1225749963 /nfs/dbraw/zinc/74/99/63/1225749963.db2.gz NVQADHGHWSCADE-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001223985032 1225749966 /nfs/dbraw/zinc/74/99/66/1225749966.db2.gz NVQADHGHWSCADE-SQNIBIBYSA-N 2 1 363.506 0.509 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001224037083 1225753417 /nfs/dbraw/zinc/75/34/17/1225753417.db2.gz PXFMFKKABCFKHS-AEFFLSMTSA-N 2 1 364.490 0.939 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@H+]4CCC[C@H]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043791868 1217745020 /nfs/dbraw/zinc/74/50/20/1217745020.db2.gz VHLADLJOSSSRPC-HYVNUMGLSA-N 2 1 359.474 0.994 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)C[N@@H+]4CCC[C@H]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043791868 1217745024 /nfs/dbraw/zinc/74/50/24/1217745024.db2.gz VHLADLJOSSSRPC-HYVNUMGLSA-N 2 1 359.474 0.994 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001045089962 1217898960 /nfs/dbraw/zinc/89/89/60/1217898960.db2.gz SMOWKLASAZOIDX-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001045089962 1217898963 /nfs/dbraw/zinc/89/89/63/1217898963.db2.gz SMOWKLASAZOIDX-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001045478863 1217932197 /nfs/dbraw/zinc/93/21/97/1217932197.db2.gz GZENXYQOYTXPQE-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCN(C)C3=O)CC2)O1 ZINC001045478863 1217932202 /nfs/dbraw/zinc/93/22/02/1217932202.db2.gz GZENXYQOYTXPQE-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001045476811 1217932258 /nfs/dbraw/zinc/93/22/58/1217932258.db2.gz FCUDJHPYCJNJIU-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001045476811 1217932262 /nfs/dbraw/zinc/93/22/62/1217932262.db2.gz FCUDJHPYCJNJIU-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001045781025 1217953255 /nfs/dbraw/zinc/95/32/55/1217953255.db2.gz RDXXTJQFHDBFAQ-HCXYKTFWSA-N 2 1 365.518 0.791 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000900954769 1218062963 /nfs/dbraw/zinc/06/29/63/1218062963.db2.gz LGNJUORBFCHDRR-UHFFFAOYSA-N 2 1 367.582 0.935 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCOC2)cn1 ZINC001096140449 1218089841 /nfs/dbraw/zinc/08/98/41/1218089841.db2.gz ZNPFHDXAIUHMRP-BGTYHANMSA-N 2 1 361.490 0.816 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386005 1218137830 /nfs/dbraw/zinc/13/78/30/1218137830.db2.gz IRYUXTIZEIJJEB-NMVRNDPTSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386005 1218137833 /nfs/dbraw/zinc/13/78/33/1218137833.db2.gz IRYUXTIZEIJJEB-NMVRNDPTSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047386005 1218137835 /nfs/dbraw/zinc/13/78/35/1218137835.db2.gz IRYUXTIZEIJJEB-NMVRNDPTSA-N 2 1 364.490 0.889 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047386005 1218137838 /nfs/dbraw/zinc/13/78/38/1218137838.db2.gz IRYUXTIZEIJJEB-NMVRNDPTSA-N 2 1 364.490 0.889 20 0 FCADMP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277012344 1225799401 /nfs/dbraw/zinc/79/94/01/1225799401.db2.gz UYMDUPPPYUCPJE-LJQANCHMSA-N 2 1 360.458 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nnnn2C)CC[N@@H+]1C ZINC001048527564 1218280938 /nfs/dbraw/zinc/28/09/38/1218280938.db2.gz MDYZXCJXBHJFPJ-IBEHDNSVSA-N 2 1 361.494 0.410 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nnnn2C)CC[N@H+]1C ZINC001048527564 1218280941 /nfs/dbraw/zinc/28/09/41/1218280941.db2.gz MDYZXCJXBHJFPJ-IBEHDNSVSA-N 2 1 361.494 0.410 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnnn2C)CC[NH+]1C ZINC001048527564 1218280944 /nfs/dbraw/zinc/28/09/44/1218280944.db2.gz MDYZXCJXBHJFPJ-IBEHDNSVSA-N 2 1 361.494 0.410 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnnn2C)CC[NH+]1C ZINC001048527564 1218280948 /nfs/dbraw/zinc/28/09/48/1218280948.db2.gz MDYZXCJXBHJFPJ-IBEHDNSVSA-N 2 1 361.494 0.410 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829821 1218324863 /nfs/dbraw/zinc/32/48/63/1218324863.db2.gz ZDJJKZZQSYFPQN-NRSFXHEJSA-N 2 1 358.486 0.616 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@@H]3C2)CC[NH+]1C ZINC001048829821 1218324869 /nfs/dbraw/zinc/32/48/69/1218324869.db2.gz ZDJJKZZQSYFPQN-NRSFXHEJSA-N 2 1 358.486 0.616 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@@H]3C2)CC[NH+]1C ZINC001048829821 1218324872 /nfs/dbraw/zinc/32/48/72/1218324872.db2.gz ZDJJKZZQSYFPQN-NRSFXHEJSA-N 2 1 358.486 0.616 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cn(CC)nn4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048830601 1218325235 /nfs/dbraw/zinc/32/52/35/1218325235.db2.gz PGSOODXLOGXAMY-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cn(CC)nn4)C[C@@H]3C2)CC[N@H+]1C ZINC001048830601 1218325240 /nfs/dbraw/zinc/32/52/40/1218325240.db2.gz PGSOODXLOGXAMY-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(CC)nn4)C[C@@H]3C2)CC[NH+]1C ZINC001048830601 1218325246 /nfs/dbraw/zinc/32/52/46/1218325246.db2.gz PGSOODXLOGXAMY-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cn(CC)nn4)C[C@@H]3C2)CC[NH+]1C ZINC001048830601 1218325250 /nfs/dbraw/zinc/32/52/50/1218325250.db2.gz PGSOODXLOGXAMY-CIRFHOKZSA-N 2 1 360.506 0.919 20 0 FCADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000803179223 1218361101 /nfs/dbraw/zinc/36/11/01/1218361101.db2.gz IZZBYHNUFYYVDL-GOSISDBHSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(N)ccnc3F)C2)C1=O ZINC001277054222 1225815697 /nfs/dbraw/zinc/81/56/97/1225815697.db2.gz DRPWBFZDZRIOPG-GOSISDBHSA-N 2 1 363.437 0.706 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903780594 1218524784 /nfs/dbraw/zinc/52/47/84/1218524784.db2.gz JNLLJEJORMJEKI-PKRADWSKSA-N 2 1 365.518 0.887 20 0 FCADMP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903921158 1218565012 /nfs/dbraw/zinc/56/50/12/1218565012.db2.gz NHWULFHVVCVOCK-WMZOPIPTSA-N 2 1 356.474 0.992 20 0 FCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001097095530 1218688031 /nfs/dbraw/zinc/68/80/31/1218688031.db2.gz RORCESHPNWYOCJ-MXASKKJJSA-N 2 1 374.489 0.011 20 0 FCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)C1=O ZINC001097095530 1218688035 /nfs/dbraw/zinc/68/80/35/1218688035.db2.gz RORCESHPNWYOCJ-MXASKKJJSA-N 2 1 374.489 0.011 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc(F)c(F)cc3N)C2)OCC1=O ZINC001277130107 1225844488 /nfs/dbraw/zinc/84/44/88/1225844488.db2.gz PKXMRWLUJBKESD-GOSISDBHSA-N 2 1 368.428 0.912 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3N)C2)OCC1=O ZINC001277130107 1225844490 /nfs/dbraw/zinc/84/44/90/1225844490.db2.gz PKXMRWLUJBKESD-GOSISDBHSA-N 2 1 368.428 0.912 20 0 FCADMP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001097430658 1218808669 /nfs/dbraw/zinc/80/86/69/1218808669.db2.gz NLOQKMMTWHZTDR-NCOADZHNSA-N 2 1 360.502 0.957 20 0 FCADMP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001097430658 1218808670 /nfs/dbraw/zinc/80/86/70/1218808670.db2.gz NLOQKMMTWHZTDR-NCOADZHNSA-N 2 1 360.502 0.957 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111449627 1218810024 /nfs/dbraw/zinc/81/00/24/1218810024.db2.gz DOUHEURYLLMSHH-YJNKXOJESA-N 2 1 365.478 0.167 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111449627 1218810025 /nfs/dbraw/zinc/81/00/25/1218810025.db2.gz DOUHEURYLLMSHH-YJNKXOJESA-N 2 1 365.478 0.167 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001097551127 1218820728 /nfs/dbraw/zinc/82/07/28/1218820728.db2.gz ZJJSIDVJCYDFFG-VQHPVUNQSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001097551127 1218820730 /nfs/dbraw/zinc/82/07/30/1218820730.db2.gz ZJJSIDVJCYDFFG-VQHPVUNQSA-N 2 1 359.474 0.829 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[NH+]([C@@H]2CCNC2=O)C3)CC[N@@H+]1C ZINC001054266195 1218901730 /nfs/dbraw/zinc/90/17/30/1218901730.db2.gz QBJATLDVANLDJY-FSPWUOQZSA-N 2 1 356.470 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[NH+]([C@@H]2CCNC2=O)C3)CC[N@H+]1C ZINC001054266195 1218901735 /nfs/dbraw/zinc/90/17/35/1218901735.db2.gz QBJATLDVANLDJY-FSPWUOQZSA-N 2 1 356.470 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[N@H+]([C@@H]2CCNC2=O)C3)CC[NH+]1C ZINC001054266195 1218901740 /nfs/dbraw/zinc/90/17/40/1218901740.db2.gz QBJATLDVANLDJY-FSPWUOQZSA-N 2 1 356.470 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)C[N@@H+]([C@@H]2CCNC2=O)C3)CC[NH+]1C ZINC001054266195 1218901748 /nfs/dbraw/zinc/90/17/48/1218901748.db2.gz QBJATLDVANLDJY-FSPWUOQZSA-N 2 1 356.470 0.847 20 0 FCADMP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831543 1225855641 /nfs/dbraw/zinc/85/56/41/1225855641.db2.gz SKGCMNRLPZZQLO-KZNAEPCWSA-N 2 1 371.522 0.512 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227029044 1225861279 /nfs/dbraw/zinc/86/12/79/1225861279.db2.gz ZCGFFFDCPRXJDI-QBPKDAKJSA-N 2 1 368.522 0.639 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227029044 1225861283 /nfs/dbraw/zinc/86/12/83/1225861283.db2.gz ZCGFFFDCPRXJDI-QBPKDAKJSA-N 2 1 368.522 0.639 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001227150458 1225864678 /nfs/dbraw/zinc/86/46/78/1225864678.db2.gz RQBCLOPKGLKFRI-BFHYXJOUSA-N 2 1 369.510 0.578 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001227149699 1225864868 /nfs/dbraw/zinc/86/48/68/1225864868.db2.gz DCRXICRFZGMMLL-HUUCEWRRSA-N 2 1 366.506 0.883 20 0 FCADMP COCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055530710 1219069332 /nfs/dbraw/zinc/06/93/32/1219069332.db2.gz SCXZMTRIDWEMHB-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001055545618 1219074692 /nfs/dbraw/zinc/07/46/92/1219074692.db2.gz OARYMUOCTFPGBP-HYVNUMGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001055545618 1219074698 /nfs/dbraw/zinc/07/46/98/1219074698.db2.gz OARYMUOCTFPGBP-HYVNUMGLSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)/C=C/C3CC3)CC2)CC[N@H+]1C ZINC001055583678 1219088570 /nfs/dbraw/zinc/08/85/70/1219088570.db2.gz XZPOYSLKXNEDSG-CDZANEANSA-N 2 1 362.518 0.990 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055611747 1219099362 /nfs/dbraw/zinc/09/93/62/1219099362.db2.gz OEZVZZBIKMSCTM-OXFYSEKESA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804049241 1219102870 /nfs/dbraw/zinc/10/28/70/1219102870.db2.gz CAQCTDQGYQBSKY-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097220 1219168831 /nfs/dbraw/zinc/16/88/31/1219168831.db2.gz HSURIRXMZBTYOU-KFWWJZLASA-N 2 1 368.432 0.617 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097220 1219168834 /nfs/dbraw/zinc/16/88/34/1219168834.db2.gz HSURIRXMZBTYOU-KFWWJZLASA-N 2 1 368.432 0.617 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2n2ccnn2)C1 ZINC001070097220 1219168838 /nfs/dbraw/zinc/16/88/38/1219168838.db2.gz HSURIRXMZBTYOU-KFWWJZLASA-N 2 1 368.432 0.617 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443467 1225874917 /nfs/dbraw/zinc/87/49/17/1225874917.db2.gz KWEDRNKVBPIDFL-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443467 1225874918 /nfs/dbraw/zinc/87/49/18/1225874918.db2.gz KWEDRNKVBPIDFL-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070158197 1219243992 /nfs/dbraw/zinc/24/39/92/1219243992.db2.gz ARMJWESGRFBIAC-IKGGRYGDSA-N 2 1 355.446 0.309 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158258 1219244193 /nfs/dbraw/zinc/24/41/93/1219244193.db2.gz CLCDKDGPDZYJAQ-SQNIBIBYSA-N 2 1 369.473 0.617 20 0 FCADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158258 1219244195 /nfs/dbraw/zinc/24/41/95/1219244195.db2.gz CLCDKDGPDZYJAQ-SQNIBIBYSA-N 2 1 369.473 0.617 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070209217 1219294934 /nfs/dbraw/zinc/29/49/34/1219294934.db2.gz RUHCKTFREZKESC-PMPSAXMXSA-N 2 1 355.446 0.804 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070309828 1219367452 /nfs/dbraw/zinc/36/74/52/1219367452.db2.gz FEYSJRWOLPBUAY-JQHSSLGASA-N 2 1 369.473 0.557 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070310896 1219368440 /nfs/dbraw/zinc/36/84/40/1219368440.db2.gz AOVIZZZQRMABRI-CVEARBPZSA-N 2 1 371.445 0.212 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2n2ccnn2)o1 ZINC001070312511 1219369500 /nfs/dbraw/zinc/36/95/00/1219369500.db2.gz VZNYVPJDSZXHBK-CVEARBPZSA-N 2 1 371.445 0.212 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327065 1219377573 /nfs/dbraw/zinc/37/75/73/1219377573.db2.gz QDBITYGADQMPRM-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327065 1219377576 /nfs/dbraw/zinc/37/75/76/1219377576.db2.gz QDBITYGADQMPRM-BMFZPTHFSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327066 1219377709 /nfs/dbraw/zinc/37/77/09/1219377709.db2.gz QDBITYGADQMPRM-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327066 1219377712 /nfs/dbraw/zinc/37/77/12/1219377712.db2.gz QDBITYGADQMPRM-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)on1 ZINC001070327005 1219377872 /nfs/dbraw/zinc/37/78/72/1219377872.db2.gz NMNVILAGUPBZOH-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)on1 ZINC001070327005 1219377876 /nfs/dbraw/zinc/37/78/76/1219377876.db2.gz NMNVILAGUPBZOH-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001070383808 1219407878 /nfs/dbraw/zinc/40/78/78/1219407878.db2.gz NLFLPOUBENTVIQ-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001070383808 1219407879 /nfs/dbraw/zinc/40/78/79/1219407879.db2.gz NLFLPOUBENTVIQ-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070500687 1219440991 /nfs/dbraw/zinc/44/09/91/1219440991.db2.gz BXVGXAWDUJJEEC-SOLBZPMBSA-N 2 1 363.506 0.559 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070563722 1219470901 /nfs/dbraw/zinc/47/09/01/1219470901.db2.gz IGPZAIJMYJCJPH-QILLFSRXSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccn(C)n2)c1 ZINC001070563722 1219470903 /nfs/dbraw/zinc/47/09/03/1219470903.db2.gz IGPZAIJMYJCJPH-QILLFSRXSA-N 2 1 371.489 0.190 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070663175 1219514202 /nfs/dbraw/zinc/51/42/02/1219514202.db2.gz QLRROQSGLLEYOH-ZACQAIPSSA-N 2 1 363.506 0.417 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168347 1225898275 /nfs/dbraw/zinc/89/82/75/1225898275.db2.gz ZFQFIVAJKYTBKQ-BRWVUGGUSA-N 2 1 368.522 0.637 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228168347 1225898276 /nfs/dbraw/zinc/89/82/76/1225898276.db2.gz ZFQFIVAJKYTBKQ-BRWVUGGUSA-N 2 1 368.522 0.637 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070696238 1219529706 /nfs/dbraw/zinc/52/97/06/1219529706.db2.gz IWFXNIMATCFKSB-HUUCEWRRSA-N 2 1 360.462 0.317 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070697472 1219530197 /nfs/dbraw/zinc/53/01/97/1219530197.db2.gz DWZKYXIENNZFDF-ZACQAIPSSA-N 2 1 363.506 0.559 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070719764 1219541800 /nfs/dbraw/zinc/54/18/00/1219541800.db2.gz BYARXBVGHCNEPD-NUJGCVRESA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001070719764 1219541803 /nfs/dbraw/zinc/54/18/03/1219541803.db2.gz BYARXBVGHCNEPD-NUJGCVRESA-N 2 1 361.490 0.435 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070720240 1219542432 /nfs/dbraw/zinc/54/24/32/1219542432.db2.gz MSEKHPTZAWDALH-JFIYKMOQSA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(C)C)C2)C1 ZINC001070720240 1219542434 /nfs/dbraw/zinc/54/24/34/1219542434.db2.gz MSEKHPTZAWDALH-JFIYKMOQSA-N 2 1 363.506 0.681 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)CC2 ZINC001228215145 1225900296 /nfs/dbraw/zinc/90/02/96/1225900296.db2.gz AOOVBMZRIQZUDQ-CGTJXYLNSA-N 2 1 364.490 0.780 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001070964669 1219584667 /nfs/dbraw/zinc/58/46/67/1219584667.db2.gz UGEFAGIJZNIPQT-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@@H+](C[C@@H]3CCOC3)CC2)CC[NH+]1C ZINC001070964669 1219584670 /nfs/dbraw/zinc/58/46/70/1219584670.db2.gz UGEFAGIJZNIPQT-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(=O)NCC[N@H+](C[C@@H]3CCOC3)CC2)CC[NH+]1C ZINC001070964669 1219584674 /nfs/dbraw/zinc/58/46/74/1219584674.db2.gz UGEFAGIJZNIPQT-IXDOHACOSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071055646 1219596517 /nfs/dbraw/zinc/59/65/17/1219596517.db2.gz PDBPVQGNHHGDRT-NUJGCVRESA-N 2 1 366.506 0.330 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071062036 1219598204 /nfs/dbraw/zinc/59/82/04/1219598204.db2.gz GXWUXNBUAYBDKC-NUJGCVRESA-N 2 1 362.474 0.739 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098224785 1219744099 /nfs/dbraw/zinc/74/40/99/1219744099.db2.gz FRIXOMLPHLNUSG-WCXIOVBPSA-N 2 1 360.502 0.813 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098224785 1219744100 /nfs/dbraw/zinc/74/41/00/1219744100.db2.gz FRIXOMLPHLNUSG-WCXIOVBPSA-N 2 1 360.502 0.813 20 0 FCADMP CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371088 1219767886 /nfs/dbraw/zinc/76/78/86/1219767886.db2.gz HKCJXONNUKXBGB-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CCNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001098371088 1219767889 /nfs/dbraw/zinc/76/78/89/1219767889.db2.gz HKCJXONNUKXBGB-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CCNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001098371088 1219767894 /nfs/dbraw/zinc/76/78/94/1219767894.db2.gz HKCJXONNUKXBGB-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000749356168 1219792376 /nfs/dbraw/zinc/79/23/76/1219792376.db2.gz ZIHLHNRDCPDBAI-ZDUSSCGKSA-N 2 1 369.429 0.548 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000749401775 1219799306 /nfs/dbraw/zinc/79/93/06/1219799306.db2.gz VTXJMYSTJSXXPU-MRXNPFEDSA-N 2 1 359.474 0.360 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000749401775 1219799309 /nfs/dbraw/zinc/79/93/09/1219799309.db2.gz VTXJMYSTJSXXPU-MRXNPFEDSA-N 2 1 359.474 0.360 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099123215 1219921682 /nfs/dbraw/zinc/92/16/82/1219921682.db2.gz YJZVWWXZTPWDDO-YRNRMSPPSA-N 2 1 360.502 0.674 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001099158911 1219934807 /nfs/dbraw/zinc/93/48/07/1219934807.db2.gz AHDBTISWAGJTLV-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001099158911 1219934811 /nfs/dbraw/zinc/93/48/11/1219934811.db2.gz AHDBTISWAGJTLV-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001099158911 1219934814 /nfs/dbraw/zinc/93/48/14/1219934814.db2.gz AHDBTISWAGJTLV-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001099158911 1219934817 /nfs/dbraw/zinc/93/48/17/1219934817.db2.gz AHDBTISWAGJTLV-VCBZYWHSSA-N 2 1 359.474 0.908 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001099162302 1219936195 /nfs/dbraw/zinc/93/61/95/1219936195.db2.gz CFPCBBVQMOHCLT-HKUYNNGSSA-N 2 1 360.506 0.961 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001099162302 1219936196 /nfs/dbraw/zinc/93/61/96/1219936196.db2.gz CFPCBBVQMOHCLT-HKUYNNGSSA-N 2 1 360.506 0.961 20 0 FCADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001099164226 1219937699 /nfs/dbraw/zinc/93/76/99/1219937699.db2.gz WWOCQYFOZMAAJV-PXNSSMCTSA-N 2 1 358.486 0.952 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)cc1=O ZINC001099164226 1219937705 /nfs/dbraw/zinc/93/77/05/1219937705.db2.gz WWOCQYFOZMAAJV-PXNSSMCTSA-N 2 1 358.486 0.952 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001099445707 1219998950 /nfs/dbraw/zinc/99/89/50/1219998950.db2.gz CDUPSDAKCIRUBE-VPWXQRGCSA-N 2 1 362.518 0.968 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228595796 1225936071 /nfs/dbraw/zinc/93/60/71/1225936071.db2.gz ZXPZFYSFLTWCTG-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001099525837 1220023225 /nfs/dbraw/zinc/02/32/25/1220023225.db2.gz BVGFRYVVAFIVQP-MPGHIAIKSA-N 2 1 361.494 0.270 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)n1 ZINC001099525853 1220023273 /nfs/dbraw/zinc/02/32/73/1220023273.db2.gz CQNLSTLIYXQIGP-MPGHIAIKSA-N 2 1 361.494 0.270 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)n1 ZINC001099525853 1220023277 /nfs/dbraw/zinc/02/32/77/1220023277.db2.gz CQNLSTLIYXQIGP-MPGHIAIKSA-N 2 1 361.494 0.270 20 0 FCADMP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001099526661 1220024043 /nfs/dbraw/zinc/02/40/43/1220024043.db2.gz QCJGKBHJDGGXCP-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001099537314 1220027363 /nfs/dbraw/zinc/02/73/63/1220027363.db2.gz IQQJXOFCPUGGLJ-BXWFABGCSA-N 2 1 360.506 0.968 20 0 FCADMP CN(c1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1)C1CC[NH+](C)CC1 ZINC000752436451 1220075558 /nfs/dbraw/zinc/07/55/58/1220075558.db2.gz SLZLHNWTXVSLDN-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)NC(N)=O ZINC001228647791 1225940778 /nfs/dbraw/zinc/94/07/78/1225940778.db2.gz ZJSOGNCSSWCCLB-MGPQQGTHSA-N 2 1 369.510 0.565 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001101257323 1220250742 /nfs/dbraw/zinc/25/07/42/1220250742.db2.gz PPSFTNUTIXGKFX-HFTRVMKXSA-N 2 1 366.485 0.775 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001101257323 1220250747 /nfs/dbraw/zinc/25/07/47/1220250747.db2.gz PPSFTNUTIXGKFX-HFTRVMKXSA-N 2 1 366.485 0.775 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285031 1220267024 /nfs/dbraw/zinc/26/70/24/1220267024.db2.gz LRAFVNPYFSDDSX-TYILLQQXSA-N 2 1 364.490 0.302 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285031 1220267028 /nfs/dbraw/zinc/26/70/28/1220267028.db2.gz LRAFVNPYFSDDSX-TYILLQQXSA-N 2 1 364.490 0.302 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285031 1220267031 /nfs/dbraw/zinc/26/70/31/1220267031.db2.gz LRAFVNPYFSDDSX-TYILLQQXSA-N 2 1 364.490 0.302 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305759 1220278486 /nfs/dbraw/zinc/27/84/86/1220278486.db2.gz QUIPDXXLKXLDBL-FUPNPVLKSA-N 2 1 363.502 0.666 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305759 1220278490 /nfs/dbraw/zinc/27/84/90/1220278490.db2.gz QUIPDXXLKXLDBL-FUPNPVLKSA-N 2 1 363.502 0.666 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305759 1220278492 /nfs/dbraw/zinc/27/84/92/1220278492.db2.gz QUIPDXXLKXLDBL-FUPNPVLKSA-N 2 1 363.502 0.666 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345047 1220296559 /nfs/dbraw/zinc/29/65/59/1220296559.db2.gz RAAUTGYPRWYYAG-LMMKCTJWSA-N 2 1 371.522 0.132 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3cn(CC4CC4)nn3)C[C@@]2(C)C1 ZINC001101351172 1220297370 /nfs/dbraw/zinc/29/73/70/1220297370.db2.gz WDAFBWLKUAPFSJ-APWZRJJASA-N 2 1 360.506 0.920 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(CC4CC4)nn3)C[C@@]2(C)C1 ZINC001101351172 1220297375 /nfs/dbraw/zinc/29/73/75/1220297375.db2.gz WDAFBWLKUAPFSJ-APWZRJJASA-N 2 1 360.506 0.920 20 0 FCADMP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)C1 ZINC001101351521 1220298626 /nfs/dbraw/zinc/29/86/26/1220298626.db2.gz IVXAFFNAXVWRMY-QKLQHJQFSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363909 1220303003 /nfs/dbraw/zinc/30/30/03/1220303003.db2.gz FOLCBXJKEFJFSY-VPWXQRGCSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363909 1220303006 /nfs/dbraw/zinc/30/30/06/1220303006.db2.gz FOLCBXJKEFJFSY-VPWXQRGCSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363909 1220303007 /nfs/dbraw/zinc/30/30/07/1220303007.db2.gz FOLCBXJKEFJFSY-VPWXQRGCSA-N 2 1 362.518 0.635 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101366011 1220303927 /nfs/dbraw/zinc/30/39/27/1220303927.db2.gz WQDUPMNBKJRAMH-UWVAXJGDSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429927 1220339927 /nfs/dbraw/zinc/33/99/27/1220339927.db2.gz GVDCBFBPHWIMHH-HLIPFELVSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429927 1220339930 /nfs/dbraw/zinc/33/99/30/1220339930.db2.gz GVDCBFBPHWIMHH-HLIPFELVSA-N 2 1 364.534 0.881 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429927 1220339931 /nfs/dbraw/zinc/33/99/31/1220339931.db2.gz GVDCBFBPHWIMHH-HLIPFELVSA-N 2 1 364.534 0.881 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431378 1220341056 /nfs/dbraw/zinc/34/10/56/1220341056.db2.gz MCIFUJWKSFJCBE-GJYPPUQNSA-N 2 1 362.518 0.907 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101432382 1220341120 /nfs/dbraw/zinc/34/11/20/1220341120.db2.gz PEKQLYIXNIWAEF-APWZRJJASA-N 2 1 361.490 0.644 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431492 1220341577 /nfs/dbraw/zinc/34/15/77/1220341577.db2.gz QDVMPAAGYPFTFM-BEFAXECRSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432559 1220341786 /nfs/dbraw/zinc/34/17/86/1220341786.db2.gz VVCQWXVZHLYPLN-APWZRJJASA-N 2 1 368.522 0.212 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101435434 1220343640 /nfs/dbraw/zinc/34/36/40/1220343640.db2.gz OVTYNHRPHZCSFH-APWZRJJASA-N 2 1 365.522 0.524 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460463 1220359391 /nfs/dbraw/zinc/35/93/91/1220359391.db2.gz GRXJJWGCXATAIK-MDZRGWNJSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460463 1220359396 /nfs/dbraw/zinc/35/93/96/1220359396.db2.gz GRXJJWGCXATAIK-MDZRGWNJSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460463 1220359402 /nfs/dbraw/zinc/35/94/02/1220359402.db2.gz GRXJJWGCXATAIK-MDZRGWNJSA-N 2 1 365.522 0.426 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981868 1220451267 /nfs/dbraw/zinc/45/12/67/1220451267.db2.gz WVVGEJIEKOWIJW-BRWVUGGUSA-N 2 1 365.522 0.903 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102016014 1220463444 /nfs/dbraw/zinc/46/34/44/1220463444.db2.gz YJEARYABSHFVFP-DJIMGWMZSA-N 2 1 370.513 0.877 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045126 1220475762 /nfs/dbraw/zinc/47/57/62/1220475762.db2.gz SHDXFFFNXCKWCC-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045126 1220475764 /nfs/dbraw/zinc/47/57/64/1220475764.db2.gz SHDXFFFNXCKWCC-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1C ZINC001102047688 1220476930 /nfs/dbraw/zinc/47/69/30/1220476930.db2.gz PRKVREWHHFDSGV-SIIHOXLZSA-N 2 1 362.522 0.902 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1C ZINC001102047688 1220476934 /nfs/dbraw/zinc/47/69/34/1220476934.db2.gz PRKVREWHHFDSGV-SIIHOXLZSA-N 2 1 362.522 0.902 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091012 1220492630 /nfs/dbraw/zinc/49/26/30/1220492630.db2.gz NRKYPGNRRAZKBS-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091012 1220492635 /nfs/dbraw/zinc/49/26/35/1220492635.db2.gz NRKYPGNRRAZKBS-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091012 1220492638 /nfs/dbraw/zinc/49/26/38/1220492638.db2.gz NRKYPGNRRAZKBS-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157230 1220527397 /nfs/dbraw/zinc/52/73/97/1220527397.db2.gz CTFVMVDLCOTGKT-FMKPAKJESA-N 2 1 361.490 0.710 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157230 1220527400 /nfs/dbraw/zinc/52/74/00/1220527400.db2.gz CTFVMVDLCOTGKT-FMKPAKJESA-N 2 1 361.490 0.710 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273714 1220569973 /nfs/dbraw/zinc/56/99/73/1220569973.db2.gz NCCMILSFALWZPT-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273714 1220569980 /nfs/dbraw/zinc/56/99/80/1220569980.db2.gz NCCMILSFALWZPT-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273714 1220569989 /nfs/dbraw/zinc/56/99/89/1220569989.db2.gz NCCMILSFALWZPT-BRWVUGGUSA-N 2 1 368.522 0.304 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285480 1220574234 /nfs/dbraw/zinc/57/42/34/1220574234.db2.gz SKJMIUIMBGEMGT-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285480 1220574236 /nfs/dbraw/zinc/57/42/36/1220574236.db2.gz SKJMIUIMBGEMGT-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290924 1220575412 /nfs/dbraw/zinc/57/54/12/1220575412.db2.gz ZCSLLAYVDHLMQZ-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292722 1220575875 /nfs/dbraw/zinc/57/58/75/1220575875.db2.gz ZSYGUPOAGSEEIO-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314715 1220582940 /nfs/dbraw/zinc/58/29/40/1220582940.db2.gz WZFBCKCRPXLSQU-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102367004 1220597151 /nfs/dbraw/zinc/59/71/51/1220597151.db2.gz YAAAZYIJBYCMHE-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102367004 1220597164 /nfs/dbraw/zinc/59/71/64/1220597164.db2.gz YAAAZYIJBYCMHE-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102367004 1220597169 /nfs/dbraw/zinc/59/71/69/1220597169.db2.gz YAAAZYIJBYCMHE-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001102373082 1220597783 /nfs/dbraw/zinc/59/77/83/1220597783.db2.gz ULYLTCRDJVGHIS-CLCXKQKWSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373082 1220597791 /nfs/dbraw/zinc/59/77/91/1220597791.db2.gz ULYLTCRDJVGHIS-CLCXKQKWSA-N 2 1 370.513 0.971 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373082 1220597799 /nfs/dbraw/zinc/59/77/99/1220597799.db2.gz ULYLTCRDJVGHIS-CLCXKQKWSA-N 2 1 370.513 0.971 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001102370412 1220598875 /nfs/dbraw/zinc/59/88/75/1220598875.db2.gz ZTGGVEBNLNELKA-DJIMGWMZSA-N 2 1 364.490 0.447 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001102370412 1220598882 /nfs/dbraw/zinc/59/88/82/1220598882.db2.gz ZTGGVEBNLNELKA-DJIMGWMZSA-N 2 1 364.490 0.447 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)C1=O ZINC001102468384 1220638090 /nfs/dbraw/zinc/63/80/90/1220638090.db2.gz FWMJCPOCBXFDPE-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)C1=O ZINC001102468384 1220638092 /nfs/dbraw/zinc/63/80/92/1220638092.db2.gz FWMJCPOCBXFDPE-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)ncn1 ZINC001102468611 1220638359 /nfs/dbraw/zinc/63/83/59/1220638359.db2.gz QHOUPMKFCOQCOF-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)ncn1 ZINC001102468611 1220638362 /nfs/dbraw/zinc/63/83/62/1220638362.db2.gz QHOUPMKFCOQCOF-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC001102488729 1220652421 /nfs/dbraw/zinc/65/24/21/1220652421.db2.gz GPUIMTQPXSXJRP-UKRRQHHQSA-N 2 1 364.494 0.408 20 0 FCADMP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC001102488729 1220652422 /nfs/dbraw/zinc/65/24/22/1220652422.db2.gz GPUIMTQPXSXJRP-UKRRQHHQSA-N 2 1 364.494 0.408 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102495830 1220656932 /nfs/dbraw/zinc/65/69/32/1220656932.db2.gz PJZDBWIJFFZADW-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102495830 1220656934 /nfs/dbraw/zinc/65/69/34/1220656934.db2.gz PJZDBWIJFFZADW-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001102495830 1220656936 /nfs/dbraw/zinc/65/69/36/1220656936.db2.gz PJZDBWIJFFZADW-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001229141902 1225983142 /nfs/dbraw/zinc/98/31/42/1225983142.db2.gz MBYGTSVBZGEVBL-IAGOWNOFSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511140 1220670207 /nfs/dbraw/zinc/67/02/07/1220670207.db2.gz LAYYHZWQYPVRDJ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514394 1220673162 /nfs/dbraw/zinc/67/31/62/1220673162.db2.gz WAULKSZTTHGKIS-BRWVUGGUSA-N 2 1 370.538 0.504 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515452 1220674800 /nfs/dbraw/zinc/67/48/00/1220674800.db2.gz UQMQXQKZNULSOE-BRWVUGGUSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579880 1220701876 /nfs/dbraw/zinc/70/18/76/1220701876.db2.gz VIPSLFJJSVLMAA-HZPDHXFCSA-N 2 1 367.538 0.864 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579832 1220701955 /nfs/dbraw/zinc/70/19/55/1220701955.db2.gz RVOXBPQIERCZMJ-HUUCEWRRSA-N 2 1 360.462 0.195 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579832 1220701959 /nfs/dbraw/zinc/70/19/59/1220701959.db2.gz RVOXBPQIERCZMJ-HUUCEWRRSA-N 2 1 360.462 0.195 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102580282 1220703232 /nfs/dbraw/zinc/70/32/32/1220703232.db2.gz OPZFFMPNHIATEP-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102580282 1220703233 /nfs/dbraw/zinc/70/32/33/1220703233.db2.gz OPZFFMPNHIATEP-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589363 1220710861 /nfs/dbraw/zinc/71/08/61/1220710861.db2.gz KLZHDCQZJHNBMU-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589363 1220710864 /nfs/dbraw/zinc/71/08/64/1220710864.db2.gz KLZHDCQZJHNBMU-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589363 1220710869 /nfs/dbraw/zinc/71/08/69/1220710869.db2.gz KLZHDCQZJHNBMU-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]2C)C1 ZINC001102589363 1220710872 /nfs/dbraw/zinc/71/08/72/1220710872.db2.gz KLZHDCQZJHNBMU-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102601127 1220722431 /nfs/dbraw/zinc/72/24/31/1220722431.db2.gz MOQBCCDPZNECGG-HUUCEWRRSA-N 2 1 362.478 0.439 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102601127 1220722433 /nfs/dbraw/zinc/72/24/33/1220722433.db2.gz MOQBCCDPZNECGG-HUUCEWRRSA-N 2 1 362.478 0.439 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102601127 1220722437 /nfs/dbraw/zinc/72/24/37/1220722437.db2.gz MOQBCCDPZNECGG-HUUCEWRRSA-N 2 1 362.478 0.439 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102601127 1220722440 /nfs/dbraw/zinc/72/24/40/1220722440.db2.gz MOQBCCDPZNECGG-HUUCEWRRSA-N 2 1 362.478 0.439 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102600965 1220722788 /nfs/dbraw/zinc/72/27/88/1220722788.db2.gz FICCYWOYMWAOMR-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102600965 1220722794 /nfs/dbraw/zinc/72/27/94/1220722794.db2.gz FICCYWOYMWAOMR-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001102600965 1220722799 /nfs/dbraw/zinc/72/27/99/1220722799.db2.gz FICCYWOYMWAOMR-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782796 1220782173 /nfs/dbraw/zinc/78/21/73/1220782173.db2.gz QGMKRNVVHURQEE-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782796 1220782181 /nfs/dbraw/zinc/78/21/81/1220782181.db2.gz QGMKRNVVHURQEE-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102782796 1220782192 /nfs/dbraw/zinc/78/21/92/1220782192.db2.gz QGMKRNVVHURQEE-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102782796 1220782201 /nfs/dbraw/zinc/78/22/01/1220782201.db2.gz QGMKRNVVHURQEE-IIAWOOMASA-N 2 1 361.494 0.676 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783177 1220782613 /nfs/dbraw/zinc/78/26/13/1220782613.db2.gz YGQWNHWXADKZTP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102783177 1220782618 /nfs/dbraw/zinc/78/26/18/1220782618.db2.gz YGQWNHWXADKZTP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102783177 1220782621 /nfs/dbraw/zinc/78/26/21/1220782621.db2.gz YGQWNHWXADKZTP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)nn1C ZINC001102819392 1220791049 /nfs/dbraw/zinc/79/10/49/1220791049.db2.gz SBMQTSUAYVNTTD-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)nn1C ZINC001102819392 1220791057 /nfs/dbraw/zinc/79/10/57/1220791057.db2.gz SBMQTSUAYVNTTD-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1C ZINC001102819392 1220791065 /nfs/dbraw/zinc/79/10/65/1220791065.db2.gz SBMQTSUAYVNTTD-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1C ZINC001102819392 1220791069 /nfs/dbraw/zinc/79/10/69/1220791069.db2.gz SBMQTSUAYVNTTD-QGPMSJSTSA-N 2 1 363.506 0.633 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819409 1220791742 /nfs/dbraw/zinc/79/17/42/1220791742.db2.gz SQLBDKOONWRRCL-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819409 1220791744 /nfs/dbraw/zinc/79/17/44/1220791744.db2.gz SQLBDKOONWRRCL-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819409 1220791756 /nfs/dbraw/zinc/79/17/56/1220791756.db2.gz SQLBDKOONWRRCL-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819409 1220791763 /nfs/dbraw/zinc/79/17/63/1220791763.db2.gz SQLBDKOONWRRCL-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994137 1220817514 /nfs/dbraw/zinc/81/75/14/1220817514.db2.gz SHBOUABIUGTUNB-KYJSFNMBSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994137 1220817517 /nfs/dbraw/zinc/81/75/17/1220817517.db2.gz SHBOUABIUGTUNB-KYJSFNMBSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103733 1220833922 /nfs/dbraw/zinc/83/39/22/1220833922.db2.gz WVYWCIPKQVNFAA-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103733 1220833924 /nfs/dbraw/zinc/83/39/24/1220833924.db2.gz WVYWCIPKQVNFAA-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103733 1220833925 /nfs/dbraw/zinc/83/39/25/1220833925.db2.gz WVYWCIPKQVNFAA-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375040 1220872614 /nfs/dbraw/zinc/87/26/14/1220872614.db2.gz WIRFJVBKDSWOCJ-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396873 1220877082 /nfs/dbraw/zinc/87/70/82/1220877082.db2.gz NNMUXNYOJYWPPS-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395978 1220877446 /nfs/dbraw/zinc/87/74/46/1220877446.db2.gz WTWVRUVCRGAXRA-UKRRQHHQSA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC001103439723 1220883394 /nfs/dbraw/zinc/88/33/94/1220883394.db2.gz QOABGXVTOVWHBD-SJLPKXTDSA-N 2 1 360.502 0.720 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001103439723 1220883396 /nfs/dbraw/zinc/88/33/96/1220883396.db2.gz QOABGXVTOVWHBD-SJLPKXTDSA-N 2 1 360.502 0.720 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001103439723 1220883397 /nfs/dbraw/zinc/88/33/97/1220883397.db2.gz QOABGXVTOVWHBD-SJLPKXTDSA-N 2 1 360.502 0.720 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001103456990 1220886743 /nfs/dbraw/zinc/88/67/43/1220886743.db2.gz QCVKLNRNWRTHNY-OWYHZJEWSA-N 2 1 372.513 0.891 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001103456990 1220886747 /nfs/dbraw/zinc/88/67/47/1220886747.db2.gz QCVKLNRNWRTHNY-OWYHZJEWSA-N 2 1 372.513 0.891 20 0 FCADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001103456990 1220886750 /nfs/dbraw/zinc/88/67/50/1220886750.db2.gz QCVKLNRNWRTHNY-OWYHZJEWSA-N 2 1 372.513 0.891 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550150 1220899994 /nfs/dbraw/zinc/89/99/94/1220899994.db2.gz BDTUYEIHNNQBGT-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612709 1220913436 /nfs/dbraw/zinc/91/34/36/1220913436.db2.gz QUDBLDOPJABJGN-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612709 1220913443 /nfs/dbraw/zinc/91/34/43/1220913443.db2.gz QUDBLDOPJABJGN-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612709 1220913450 /nfs/dbraw/zinc/91/34/50/1220913450.db2.gz QUDBLDOPJABJGN-QLFBSQMISA-N 2 1 369.510 0.247 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643457 1220926105 /nfs/dbraw/zinc/92/61/05/1220926105.db2.gz KVPATXYSTCCCFE-ZACQAIPSSA-N 2 1 370.538 0.683 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001103647098 1220927278 /nfs/dbraw/zinc/92/72/78/1220927278.db2.gz UNKDYHNMDFVAFX-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648072 1220927554 /nfs/dbraw/zinc/92/75/54/1220927554.db2.gz SKGDIMKXAYVPIK-HUUCEWRRSA-N 2 1 361.490 0.972 20 0 FCADMP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001103718898 1220950405 /nfs/dbraw/zinc/95/04/05/1220950405.db2.gz JMHMBAPELLDRPV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001103718898 1220950408 /nfs/dbraw/zinc/95/04/08/1220950408.db2.gz JMHMBAPELLDRPV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001103718898 1220950415 /nfs/dbraw/zinc/95/04/15/1220950415.db2.gz JMHMBAPELLDRPV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001103718898 1220950416 /nfs/dbraw/zinc/95/04/16/1220950416.db2.gz JMHMBAPELLDRPV-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742446 1220957993 /nfs/dbraw/zinc/95/79/93/1220957993.db2.gz HKYXZABULKJMAO-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742446 1220957996 /nfs/dbraw/zinc/95/79/96/1220957996.db2.gz HKYXZABULKJMAO-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103742446 1220958000 /nfs/dbraw/zinc/95/80/00/1220958000.db2.gz HKYXZABULKJMAO-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742446 1220958003 /nfs/dbraw/zinc/95/80/03/1220958003.db2.gz HKYXZABULKJMAO-ZACQAIPSSA-N 2 1 368.522 0.260 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001103740472 1220958567 /nfs/dbraw/zinc/95/85/67/1220958567.db2.gz JDJZWTXKXWIUMP-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001103740472 1220958572 /nfs/dbraw/zinc/95/85/72/1220958572.db2.gz JDJZWTXKXWIUMP-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCOC)C[C@H]2C)C1 ZINC001103740472 1220958575 /nfs/dbraw/zinc/95/85/75/1220958575.db2.gz JDJZWTXKXWIUMP-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)C1 ZINC001103740472 1220958577 /nfs/dbraw/zinc/95/85/77/1220958577.db2.gz JDJZWTXKXWIUMP-KURKYZTESA-N 2 1 371.522 0.444 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033721 1221001598 /nfs/dbraw/zinc/00/15/98/1221001598.db2.gz FEOSLIZQWVZAPK-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033721 1221001603 /nfs/dbraw/zinc/00/16/03/1221001603.db2.gz FEOSLIZQWVZAPK-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111782734 1221105790 /nfs/dbraw/zinc/10/57/90/1221105790.db2.gz WFGYVTIEWRIWDZ-DEYYWGMASA-N 2 1 365.478 0.026 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(N)=O)C2 ZINC001111782734 1221105793 /nfs/dbraw/zinc/10/57/93/1221105793.db2.gz WFGYVTIEWRIWDZ-DEYYWGMASA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111782734 1221105798 /nfs/dbraw/zinc/10/57/98/1221105798.db2.gz WFGYVTIEWRIWDZ-DEYYWGMASA-N 2 1 365.478 0.026 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111782734 1221105800 /nfs/dbraw/zinc/10/58/00/1221105800.db2.gz WFGYVTIEWRIWDZ-DEYYWGMASA-N 2 1 365.478 0.026 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCNC(C)=O)C2)[NH+](C)C ZINC001111789139 1221109776 /nfs/dbraw/zinc/10/97/76/1221109776.db2.gz ZDVBTISRNJWGBA-SCTDSRPQSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811864 1221123759 /nfs/dbraw/zinc/12/37/59/1221123759.db2.gz UEGSZNMMEPANKK-OXNJRSESSA-N 2 1 363.502 0.857 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001111811864 1221123762 /nfs/dbraw/zinc/12/37/62/1221123762.db2.gz UEGSZNMMEPANKK-OXNJRSESSA-N 2 1 363.502 0.857 20 0 FCADMP CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001111811864 1221123764 /nfs/dbraw/zinc/12/37/64/1221123764.db2.gz UEGSZNMMEPANKK-OXNJRSESSA-N 2 1 363.502 0.857 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111852400 1221136420 /nfs/dbraw/zinc/13/64/20/1221136420.db2.gz RTNFUGZBLNTYTJ-LNLFQRSKSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111852400 1221136427 /nfs/dbraw/zinc/13/64/27/1221136427.db2.gz RTNFUGZBLNTYTJ-LNLFQRSKSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)C1 ZINC001111852400 1221136430 /nfs/dbraw/zinc/13/64/30/1221136430.db2.gz RTNFUGZBLNTYTJ-LNLFQRSKSA-N 2 1 369.506 0.075 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)C1 ZINC001111852400 1221136434 /nfs/dbraw/zinc/13/64/34/1221136434.db2.gz RTNFUGZBLNTYTJ-LNLFQRSKSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111870887 1221144084 /nfs/dbraw/zinc/14/40/84/1221144084.db2.gz QYQKVPFHPWUNCY-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111870887 1221144087 /nfs/dbraw/zinc/14/40/87/1221144087.db2.gz QYQKVPFHPWUNCY-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111870887 1221144090 /nfs/dbraw/zinc/14/40/90/1221144090.db2.gz QYQKVPFHPWUNCY-KNBMTAEXSA-N 2 1 362.518 0.968 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875394 1221146822 /nfs/dbraw/zinc/14/68/22/1221146822.db2.gz YWEFKYGPCDYCCO-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875394 1221146826 /nfs/dbraw/zinc/14/68/26/1221146826.db2.gz YWEFKYGPCDYCCO-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905434 1221160040 /nfs/dbraw/zinc/16/00/40/1221160040.db2.gz BRAQJYKBLZHVAR-GJYPPUQNSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905434 1221160042 /nfs/dbraw/zinc/16/00/42/1221160042.db2.gz BRAQJYKBLZHVAR-GJYPPUQNSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927077 1221173214 /nfs/dbraw/zinc/17/32/14/1221173214.db2.gz YBHSTGGNAZZFGX-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927077 1221173219 /nfs/dbraw/zinc/17/32/19/1221173219.db2.gz YBHSTGGNAZZFGX-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111927077 1221173221 /nfs/dbraw/zinc/17/32/21/1221173221.db2.gz YBHSTGGNAZZFGX-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111927077 1221173223 /nfs/dbraw/zinc/17/32/23/1221173223.db2.gz YBHSTGGNAZZFGX-KSSFIOAISA-N 2 1 367.494 0.145 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937908 1221178852 /nfs/dbraw/zinc/17/88/52/1221178852.db2.gz BEDBEJDEFWOUOW-YWZLYKJASA-N 2 1 362.518 0.968 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938268 1221178936 /nfs/dbraw/zinc/17/89/36/1221178936.db2.gz TWBNLAXVNNEXQR-JXFKEZNVSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938262 1221178955 /nfs/dbraw/zinc/17/89/55/1221178955.db2.gz SXQJSMLNBIABTL-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938262 1221178959 /nfs/dbraw/zinc/17/89/59/1221178959.db2.gz SXQJSMLNBIABTL-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C2 ZINC001111949764 1221182418 /nfs/dbraw/zinc/18/24/18/1221182418.db2.gz RSMSBZXKBWYUIA-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984706 1221193232 /nfs/dbraw/zinc/19/32/32/1221193232.db2.gz KYAZEGGNTIBMHT-LNLFQRSKSA-N 2 1 369.506 0.077 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984706 1221193234 /nfs/dbraw/zinc/19/32/34/1221193234.db2.gz KYAZEGGNTIBMHT-LNLFQRSKSA-N 2 1 369.506 0.077 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001111983847 1221194084 /nfs/dbraw/zinc/19/40/84/1221194084.db2.gz SGDVXBNJEGIJJT-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001111983847 1221194087 /nfs/dbraw/zinc/19/40/87/1221194087.db2.gz SGDVXBNJEGIJJT-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001111983847 1221194092 /nfs/dbraw/zinc/19/40/92/1221194092.db2.gz SGDVXBNJEGIJJT-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003720 1221197914 /nfs/dbraw/zinc/19/79/14/1221197914.db2.gz ASKJOFQWQMETBS-KSSFIOAISA-N 2 1 365.478 0.028 20 0 FCADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003720 1221197916 /nfs/dbraw/zinc/19/79/16/1221197916.db2.gz ASKJOFQWQMETBS-KSSFIOAISA-N 2 1 365.478 0.028 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009789 1221199525 /nfs/dbraw/zinc/19/95/25/1221199525.db2.gz UVYXYHZHVPSVJE-HKUYNNGSSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009789 1221199526 /nfs/dbraw/zinc/19/95/26/1221199526.db2.gz UVYXYHZHVPSVJE-HKUYNNGSSA-N 2 1 368.522 0.450 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009789 1221199530 /nfs/dbraw/zinc/19/95/30/1221199530.db2.gz UVYXYHZHVPSVJE-HKUYNNGSSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112285155 1221230464 /nfs/dbraw/zinc/23/04/64/1221230464.db2.gz OAUIQNUDZUZKDP-QKLQHJQFSA-N 2 1 362.518 0.921 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCn1cc[nH+]c1C ZINC000798555852 1221287095 /nfs/dbraw/zinc/28/70/95/1221287095.db2.gz SSKFQYQFHCKJFC-UHFFFAOYSA-N 2 1 365.478 0.221 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001229860170 1226036402 /nfs/dbraw/zinc/03/64/02/1226036402.db2.gz NJRPFLHTWSTCFB-RBSFLKMASA-N 2 1 369.510 0.579 20 0 FCADMP Cc1nn(CCO)c(C)c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001117590927 1221580779 /nfs/dbraw/zinc/58/07/79/1221580779.db2.gz DCSDZHBXAXUPNR-UHFFFAOYSA-N 2 1 363.506 0.478 20 0 FCADMP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001117858447 1221633087 /nfs/dbraw/zinc/63/30/87/1221633087.db2.gz MGFBCGVZTALPFI-IRXDYDNUSA-N 2 1 366.506 0.251 20 0 FCADMP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001117858447 1221633090 /nfs/dbraw/zinc/63/30/90/1221633090.db2.gz MGFBCGVZTALPFI-IRXDYDNUSA-N 2 1 366.506 0.251 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001230284745 1226071549 /nfs/dbraw/zinc/07/15/49/1226071549.db2.gz SRCUQDBDLVKIMD-HUUCEWRRSA-N 2 1 367.494 0.332 20 0 FCADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119376791 1221909301 /nfs/dbraw/zinc/90/93/01/1221909301.db2.gz CRLUNHDOEOVRFQ-LJQANCHMSA-N 2 1 374.529 0.975 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](C)O1 ZINC001119412419 1221914300 /nfs/dbraw/zinc/91/43/00/1221914300.db2.gz GZDLAFCPVLPSNZ-KLHDSHLOSA-N 2 1 368.522 0.624 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001119427442 1221916494 /nfs/dbraw/zinc/91/64/94/1221916494.db2.gz PUPSIGGGGBSAOA-FGTMMUONSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)C2)CC1 ZINC001119569030 1221934150 /nfs/dbraw/zinc/93/41/50/1221934150.db2.gz YFDAJJVVMHGCSB-IBGZPJMESA-N 2 1 357.502 0.894 20 0 FCADMP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)C2)CC1 ZINC001119569030 1221934154 /nfs/dbraw/zinc/93/41/54/1221934154.db2.gz YFDAJJVVMHGCSB-IBGZPJMESA-N 2 1 357.502 0.894 20 0 FCADMP C([NH+]1CC[C@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913798 1221999244 /nfs/dbraw/zinc/99/92/44/1221999244.db2.gz UHGZCKZVYTWZHN-HOTGVXAUSA-N 2 1 368.474 0.393 20 0 FCADMP C[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC001120565930 1222105499 /nfs/dbraw/zinc/10/54/99/1222105499.db2.gz DCSFNXQGWIJABQ-CRAIPNDOSA-N 2 1 373.501 0.810 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)c2)CC1 ZINC001120967573 1222134566 /nfs/dbraw/zinc/13/45/66/1222134566.db2.gz NIQRVUMVYFYYCG-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)c2)CC1 ZINC001120967573 1222134571 /nfs/dbraw/zinc/13/45/71/1222134571.db2.gz NIQRVUMVYFYYCG-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC001121729455 1222205319 /nfs/dbraw/zinc/20/53/19/1222205319.db2.gz JGTZDRCZWYQLOY-CYBMUJFWSA-N 2 1 366.466 0.330 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001122137014 1222244282 /nfs/dbraw/zinc/24/42/82/1222244282.db2.gz UAAIRCKKJUKIPB-ZACQAIPSSA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001122137014 1222244287 /nfs/dbraw/zinc/24/42/87/1222244287.db2.gz UAAIRCKKJUKIPB-ZACQAIPSSA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001122137014 1222244292 /nfs/dbraw/zinc/24/42/92/1222244292.db2.gz UAAIRCKKJUKIPB-ZACQAIPSSA-N 3 1 367.538 0.295 20 0 FCADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001123990684 1222373553 /nfs/dbraw/zinc/37/35/53/1222373553.db2.gz XRXBDBGPBCIIHS-RMKNXTFCSA-N 2 1 374.485 0.530 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@@H]3C(=O)OC)CC2)CC1 ZINC000830357296 1222471249 /nfs/dbraw/zinc/47/12/49/1222471249.db2.gz NYNRXIJBOYHQNQ-IAGOWNOFSA-N 2 1 367.490 0.318 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cnc(N)nc3)CC2)C1 ZINC001138164592 1222488121 /nfs/dbraw/zinc/48/81/21/1222488121.db2.gz YZGOBQWLHOHNJX-UHFFFAOYSA-N 2 1 362.478 0.061 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C[C@H]2C(=O)N(C)C ZINC001232018550 1226136576 /nfs/dbraw/zinc/13/65/76/1226136576.db2.gz LSEJVICJDQHOIC-INIZCTEOSA-N 2 1 355.442 0.931 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000834782917 1222589170 /nfs/dbraw/zinc/58/91/70/1222589170.db2.gz WTLZIOAJWPAXCU-XHSDSOJGSA-N 2 1 370.538 0.647 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000834782917 1222589171 /nfs/dbraw/zinc/58/91/71/1222589171.db2.gz WTLZIOAJWPAXCU-XHSDSOJGSA-N 2 1 370.538 0.647 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000834852949 1222593035 /nfs/dbraw/zinc/59/30/35/1222593035.db2.gz CEHKIRKGEORRHD-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000834852949 1222593039 /nfs/dbraw/zinc/59/30/39/1222593039.db2.gz CEHKIRKGEORRHD-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000834852949 1222593042 /nfs/dbraw/zinc/59/30/42/1222593042.db2.gz CEHKIRKGEORRHD-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000834852949 1222593046 /nfs/dbraw/zinc/59/30/46/1222593046.db2.gz CEHKIRKGEORRHD-BBWFWOEESA-N 2 1 368.522 0.402 20 0 FCADMP CCOC(=O)c1ncn(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c1N ZINC000838970306 1222695822 /nfs/dbraw/zinc/69/58/22/1222695822.db2.gz HBYGGSAZRZDAMH-OAHLLOKOSA-N 2 1 365.478 0.736 20 0 FCADMP C[C@@H](CC[NH+]1CCN2C(=O)OC[C@@H]2C1)CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000839507683 1222742592 /nfs/dbraw/zinc/74/25/92/1222742592.db2.gz KFTHFFWNCRCUFX-PHZGNYQRSA-N 2 1 366.462 0.676 20 0 FCADMP C[C@H](CC[NH+]1CCN2C(=O)OC[C@H]2C1)CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000839507683 1222742595 /nfs/dbraw/zinc/74/25/95/1222742595.db2.gz KFTHFFWNCRCUFX-PHZGNYQRSA-N 2 1 366.462 0.676 20 0 FCADMP C[C@H](CC[NH+]1CCN2C(=O)OC[C@H]2C1)CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000839507683 1222742597 /nfs/dbraw/zinc/74/25/97/1222742597.db2.gz KFTHFFWNCRCUFX-PHZGNYQRSA-N 2 1 366.462 0.676 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)C1 ZINC000841024062 1222805465 /nfs/dbraw/zinc/80/54/65/1222805465.db2.gz PPESZDOVASZBLU-GFCCVEGCSA-N 2 1 371.407 0.818 20 0 FCADMP COc1cccc([C@H](O)C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c1 ZINC001277672125 1226154545 /nfs/dbraw/zinc/15/45/45/1226154545.db2.gz ADSQTCHSHAHMEV-QGZVFWFLSA-N 2 1 363.458 0.203 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000842132456 1222836164 /nfs/dbraw/zinc/83/61/64/1222836164.db2.gz BXCBWDLAJOSQJP-XOYOTBSWSA-N 2 1 358.486 0.867 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000842162330 1222838420 /nfs/dbraw/zinc/83/84/20/1222838420.db2.gz HRWUCANQKFWHCZ-CZUORRHYSA-N 2 1 370.457 0.635 20 0 FCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000843248198 1222863441 /nfs/dbraw/zinc/86/34/41/1222863441.db2.gz FPONMPYXSDTAQN-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000843248198 1222863443 /nfs/dbraw/zinc/86/34/43/1222863443.db2.gz FPONMPYXSDTAQN-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000843248198 1222863444 /nfs/dbraw/zinc/86/34/44/1222863444.db2.gz FPONMPYXSDTAQN-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000843248198 1222863445 /nfs/dbraw/zinc/86/34/45/1222863445.db2.gz FPONMPYXSDTAQN-BBWFWOEESA-N 2 1 368.522 0.354 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248043 1222863463 /nfs/dbraw/zinc/86/34/63/1222863463.db2.gz INNHRICBWMDCAM-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248043 1222863465 /nfs/dbraw/zinc/86/34/65/1222863465.db2.gz INNHRICBWMDCAM-BBWFWOEESA-N 2 1 366.506 0.251 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386257 1222874514 /nfs/dbraw/zinc/87/45/14/1222874514.db2.gz DVCFXBDSTMGDAF-IAGOWNOFSA-N 2 1 366.506 0.999 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)CCCO2)O1 ZINC001149881262 1222891308 /nfs/dbraw/zinc/89/13/08/1222891308.db2.gz JNCLMTWWEAGCSK-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOCC3CC3)CCCO2)O1 ZINC001149881262 1222891309 /nfs/dbraw/zinc/89/13/09/1222891309.db2.gz JNCLMTWWEAGCSK-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCC3CC3)CCCO2)O1 ZINC001149881262 1222891311 /nfs/dbraw/zinc/89/13/11/1222891311.db2.gz JNCLMTWWEAGCSK-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCC3CC3)CCCO2)O1 ZINC001149881262 1222891314 /nfs/dbraw/zinc/89/13/14/1222891314.db2.gz JNCLMTWWEAGCSK-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001155232836 1223030439 /nfs/dbraw/zinc/03/04/39/1223030439.db2.gz RDQGALOEYUXSNW-OAHLLOKOSA-N 2 1 364.494 0.772 20 0 FCADMP C(C[C@H]1CCOC12C[NH2+]C2)Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001155477013 1223035605 /nfs/dbraw/zinc/03/56/05/1223035605.db2.gz DYPYHEDPQDOZFI-HNNXBMFYSA-N 2 1 373.505 0.674 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](COCc1ccccc1)[NH2+]C ZINC001157081876 1223067473 /nfs/dbraw/zinc/06/74/73/1223067473.db2.gz DJEUEZBYFDBJFD-IRXDYDNUSA-N 2 1 374.441 0.805 20 0 FCADMP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)N1CCCC1 ZINC001157371233 1223075373 /nfs/dbraw/zinc/07/53/73/1223075373.db2.gz QGMIIYWIDGTBGY-HOTGVXAUSA-N 2 1 365.522 0.097 20 0 FCADMP CCC[NH+]1C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]2C1 ZINC001157691052 1223080626 /nfs/dbraw/zinc/08/06/26/1223080626.db2.gz GTYLZIXBZNBQHL-GJZGRUSLSA-N 2 1 358.490 0.694 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959424 1223085011 /nfs/dbraw/zinc/08/50/11/1223085011.db2.gz BHVUKXXRLGKXDV-MSOLQXFVSA-N 3 1 358.486 0.612 20 0 FCADMP C[N@@H+]1C[C@@H](C(=O)N2CCNC[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959424 1223085013 /nfs/dbraw/zinc/08/50/13/1223085013.db2.gz BHVUKXXRLGKXDV-MSOLQXFVSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@@H](C(=O)N2CCNC[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959424 1223085017 /nfs/dbraw/zinc/08/50/17/1223085017.db2.gz BHVUKXXRLGKXDV-MSOLQXFVSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959425 1223085208 /nfs/dbraw/zinc/08/52/08/1223085208.db2.gz BHVUKXXRLGKXDV-QZTJIDSGSA-N 3 1 358.486 0.612 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959425 1223085211 /nfs/dbraw/zinc/08/52/11/1223085211.db2.gz BHVUKXXRLGKXDV-QZTJIDSGSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959425 1223085215 /nfs/dbraw/zinc/08/52/15/1223085215.db2.gz BHVUKXXRLGKXDV-QZTJIDSGSA-N 2 1 358.486 0.612 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001158411228 1223097041 /nfs/dbraw/zinc/09/70/41/1223097041.db2.gz AVQNFVUQAGCTNP-UONOGXRCSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001158413133 1223097145 /nfs/dbraw/zinc/09/71/45/1223097145.db2.gz WGRRFFOAHIKQSL-LSDHHAIUSA-N 2 1 369.510 0.294 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891373 1223111949 /nfs/dbraw/zinc/11/19/49/1223111949.db2.gz YBQBFGBPSLWDRB-YEWWUXTCSA-N 2 1 374.420 0.368 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[NH2+][C@H]3C)C2)C1 ZINC001159124628 1223117777 /nfs/dbraw/zinc/11/77/77/1223117777.db2.gz OXLAKWPQEWEURA-TXPKVOOTSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCC[NH2+][C@H]3C)C2)C1 ZINC001159124628 1223117779 /nfs/dbraw/zinc/11/77/79/1223117779.db2.gz OXLAKWPQEWEURA-TXPKVOOTSA-N 2 1 366.506 0.062 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159191074 1223119971 /nfs/dbraw/zinc/11/99/71/1223119971.db2.gz AVKAFDAHDLXEGS-INIZCTEOSA-N 2 1 361.490 0.610 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]2CCCO[C@H]12 ZINC001159425077 1223126796 /nfs/dbraw/zinc/12/67/96/1223126796.db2.gz PKPCJRRSZKOHSY-LHIBYTEYSA-N 2 1 356.470 0.737 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]2CCCO[C@H]12 ZINC001159425077 1223126797 /nfs/dbraw/zinc/12/67/97/1223126797.db2.gz PKPCJRRSZKOHSY-LHIBYTEYSA-N 2 1 356.470 0.737 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@]1(C)CC[NH2+]C1)CCC2 ZINC001159493375 1223128803 /nfs/dbraw/zinc/12/88/03/1223128803.db2.gz MXWDZBZOEXBBPC-IBGZPJMESA-N 2 1 361.490 0.815 20 0 FCADMP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664493 1223132702 /nfs/dbraw/zinc/13/27/02/1223132702.db2.gz FJXVZWWBNJXECF-MHORFTMASA-N 2 1 362.449 0.973 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663980 1223133198 /nfs/dbraw/zinc/13/31/98/1223133198.db2.gz BQIZCFDLZZSMRT-KURKYZTESA-N 2 1 360.458 0.262 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677019 1223133539 /nfs/dbraw/zinc/13/35/39/1223133539.db2.gz BEMYJQKQNJMRIM-UHFFFAOYSA-N 2 1 373.501 0.621 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N[C@@H](Cc3ccc(O)cc3)C(O)O)n2)CC1 ZINC001159737862 1223135184 /nfs/dbraw/zinc/13/51/84/1223135184.db2.gz WXCCXECMNUXMEI-HNNXBMFYSA-N 2 1 359.430 0.444 20 0 FCADMP [NH3+]C[C@@H](O)CC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159887451 1223138883 /nfs/dbraw/zinc/13/88/83/1223138883.db2.gz VVXHRGOJYJEEQN-DOTOQJQBSA-N 2 1 368.428 0.851 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001160034745 1223142822 /nfs/dbraw/zinc/14/28/22/1223142822.db2.gz DYLSATVKJKEDPP-QZTJIDSGSA-N 2 1 367.453 0.857 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001160036427 1223143077 /nfs/dbraw/zinc/14/30/77/1223143077.db2.gz QIVWBLAXAMZXGP-KRWDZBQOSA-N 2 1 355.442 0.844 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160050725 1223143386 /nfs/dbraw/zinc/14/33/86/1223143386.db2.gz DPPFTCCOQFURGQ-SFHVURJKSA-N 3 1 369.513 0.705 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001160168809 1223146911 /nfs/dbraw/zinc/14/69/11/1223146911.db2.gz AMUVKSMYWQPZGU-NVXWUHKLSA-N 2 1 363.506 0.490 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCN3)C[C@@H]21 ZINC001160423165 1223158877 /nfs/dbraw/zinc/15/88/77/1223158877.db2.gz KQLQSLNTENZJER-QXCFHYIPSA-N 2 1 357.502 0.702 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@@H]21 ZINC001160421617 1223159036 /nfs/dbraw/zinc/15/90/36/1223159036.db2.gz CEIKVMPNZMYLRZ-VKSUQKOCSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001160421617 1223159038 /nfs/dbraw/zinc/15/90/38/1223159038.db2.gz CEIKVMPNZMYLRZ-VKSUQKOCSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@@H]21 ZINC001160421617 1223159039 /nfs/dbraw/zinc/15/90/39/1223159039.db2.gz CEIKVMPNZMYLRZ-VKSUQKOCSA-N 2 1 357.502 0.830 20 0 FCADMP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489575 1223162399 /nfs/dbraw/zinc/16/23/99/1223162399.db2.gz DPENYTYKFAELMB-VQTJNVASSA-N 2 1 371.529 0.842 20 0 FCADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC1 ZINC001160826055 1223176604 /nfs/dbraw/zinc/17/66/04/1223176604.db2.gz QPJBMJDRBYOKSX-HNAYVOBHSA-N 2 1 359.474 0.861 20 0 FCADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001160826056 1223176799 /nfs/dbraw/zinc/17/67/99/1223176799.db2.gz QPJBMJDRBYOKSX-KXBFYZLASA-N 2 1 359.474 0.861 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160854679 1223177337 /nfs/dbraw/zinc/17/73/37/1223177337.db2.gz DQAJSFYETVOXAP-FNHZYXHNSA-N 2 1 358.486 0.918 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160854679 1223177339 /nfs/dbraw/zinc/17/73/39/1223177339.db2.gz DQAJSFYETVOXAP-FNHZYXHNSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1 ZINC001160857059 1223178277 /nfs/dbraw/zinc/17/82/77/1223178277.db2.gz COTZWZOPGJMHPX-BFYDXBDKSA-N 2 1 362.474 0.829 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1 ZINC001160857059 1223178281 /nfs/dbraw/zinc/17/82/81/1223178281.db2.gz COTZWZOPGJMHPX-BFYDXBDKSA-N 2 1 362.474 0.829 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)O1 ZINC001160862350 1223178653 /nfs/dbraw/zinc/17/86/53/1223178653.db2.gz OEUUZKQFKYJKHH-DAXOMENPSA-N 2 1 366.437 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)O1 ZINC001160862350 1223178657 /nfs/dbraw/zinc/17/86/57/1223178657.db2.gz OEUUZKQFKYJKHH-DAXOMENPSA-N 2 1 366.437 0.167 20 0 FCADMP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915786 1223180349 /nfs/dbraw/zinc/18/03/49/1223180349.db2.gz MLMHNJUISKULRP-HNNXBMFYSA-N 2 1 355.398 0.242 20 0 FCADMP C[C@@H]1CCN(C(=O)C2(N)CC[NH2+]CC2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160957582 1223181639 /nfs/dbraw/zinc/18/16/39/1223181639.db2.gz UVMAVWHDVPOVSX-HIFRSBDPSA-N 2 1 371.489 0.712 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160956735 1223181797 /nfs/dbraw/zinc/18/17/97/1223181797.db2.gz MZOASMHBHPKOSY-DHMWGJHJSA-N 2 1 358.446 0.354 20 0 FCADMP CC1(C)[C@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161196567 1223188565 /nfs/dbraw/zinc/18/85/65/1223188565.db2.gz MXZFWVBTEXMHLZ-ROUUACIJSA-N 3 1 366.550 0.910 20 0 FCADMP O=C(N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001161196812 1223189408 /nfs/dbraw/zinc/18/94/08/1223189408.db2.gz SGBIXSOLKXGZLL-AZUAARDMSA-N 3 1 364.534 0.537 20 0 FCADMP Cc1cccc(N(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C2CC[NH2+]CC2)n1 ZINC001161301955 1223194386 /nfs/dbraw/zinc/19/43/86/1223194386.db2.gz CGYVLLCPXZMDGX-KRWDZBQOSA-N 2 1 360.506 0.225 20 0 FCADMP N[C@H](CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1)C(=O)OCc1ccccc1 ZINC001161379391 1223197433 /nfs/dbraw/zinc/19/74/33/1223197433.db2.gz OMTWYEWKVRPJST-ZWKOTPCHSA-N 2 1 374.485 0.471 20 0 FCADMP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379927 1223197985 /nfs/dbraw/zinc/19/79/85/1223197985.db2.gz RWBVBTIJDXLOEL-VQIMIIECSA-N 3 1 363.550 0.474 20 0 FCADMP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC001161423466 1223198922 /nfs/dbraw/zinc/19/89/22/1223198922.db2.gz AXCVYUAPZCOZCO-SQNIBIBYSA-N 2 1 356.470 0.382 20 0 FCADMP COCCOC1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001161572243 1223204528 /nfs/dbraw/zinc/20/45/28/1223204528.db2.gz HAIOYBRUMDBBBL-GOSISDBHSA-N 2 1 359.470 0.582 20 0 FCADMP COCCOC1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001161572243 1223204533 /nfs/dbraw/zinc/20/45/33/1223204533.db2.gz HAIOYBRUMDBBBL-GOSISDBHSA-N 2 1 359.470 0.582 20 0 FCADMP CN1CC[NH+](CCCNc2ncccc2C(=O)NCCC[NH+](C)C)CC1 ZINC001161703333 1223207299 /nfs/dbraw/zinc/20/72/99/1223207299.db2.gz CYGOPZCYWPJOFK-UHFFFAOYSA-N 2 1 362.522 0.813 20 0 FCADMP [NH3+]C[C@@H]1Cc2ccccc2CN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001162744523 1223219205 /nfs/dbraw/zinc/21/92/05/1223219205.db2.gz QIFXZSSQRJEUHO-INIZCTEOSA-N 2 1 366.469 0.806 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001164575611 1223240204 /nfs/dbraw/zinc/24/02/04/1223240204.db2.gz DCJZDLUEMGAZNR-BRWVUGGUSA-N 2 1 363.506 0.460 20 0 FCADMP CN1c2cnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)nc2N2CCC[C@H]2C1=O ZINC001165173860 1223243046 /nfs/dbraw/zinc/24/30/46/1223243046.db2.gz FGPWSSSAKGHXIP-CABCVRRESA-N 2 1 371.489 0.281 20 0 FCADMP COCCn1ccc2c1nc[nH+]c2N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001165341864 1223244881 /nfs/dbraw/zinc/24/48/81/1223244881.db2.gz PPAJLUNHUHHKPP-SFHVURJKSA-N 2 1 361.446 0.663 20 0 FCADMP CCn1nnc2c1[C@@H](COC)CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001165525212 1223247550 /nfs/dbraw/zinc/24/75/50/1223247550.db2.gz MTHKLQLYLLUWNS-CYBMUJFWSA-N 2 1 372.477 0.766 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728017 1223255715 /nfs/dbraw/zinc/25/57/15/1223255715.db2.gz LTESZAQLCLIDKX-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728017 1223255718 /nfs/dbraw/zinc/25/57/18/1223255718.db2.gz LTESZAQLCLIDKX-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001166701462 1223284155 /nfs/dbraw/zinc/28/41/55/1223284155.db2.gz DWMGWFYZTLQLAO-CYBMUJFWSA-N 2 1 368.445 0.006 20 0 FCADMP CC[C@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001205151739 1223313534 /nfs/dbraw/zinc/31/35/34/1223313534.db2.gz WQJWVUXRXBWQPV-GUDVDZBRSA-N 2 1 363.502 0.783 20 0 FCADMP CC[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001205196203 1223316093 /nfs/dbraw/zinc/31/60/93/1223316093.db2.gz WQJWVUXRXBWQPV-IPMKNSEASA-N 2 1 363.502 0.783 20 0 FCADMP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001205204264 1223316540 /nfs/dbraw/zinc/31/65/40/1223316540.db2.gz ULQULWHHRNDHPD-QXAKKESOSA-N 2 1 363.502 0.783 20 0 FCADMP CC(=O)NCCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334252 1223320107 /nfs/dbraw/zinc/32/01/07/1223320107.db2.gz IMRKACLIHRBNEF-CRAIPNDOSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCCO)C2)C1 ZINC001205393524 1223321478 /nfs/dbraw/zinc/32/14/78/1223321478.db2.gz MGEIIIVTPCLHJP-KSZLIROESA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCCO)C2)C1 ZINC001205393524 1223321480 /nfs/dbraw/zinc/32/14/80/1223321480.db2.gz MGEIIIVTPCLHJP-KSZLIROESA-N 2 1 365.449 0.423 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518906 1223330296 /nfs/dbraw/zinc/33/02/96/1223330296.db2.gz OZQREXYITSKBAE-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518906 1223330298 /nfs/dbraw/zinc/33/02/98/1223330298.db2.gz OZQREXYITSKBAE-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519665 1223330689 /nfs/dbraw/zinc/33/06/89/1223330689.db2.gz ZPTMTSNQOTUHBT-OKZBNKHCSA-N 2 1 365.518 0.914 20 0 FCADMP CCn1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC001205532843 1223330869 /nfs/dbraw/zinc/33/08/69/1223330869.db2.gz IJBUJNJJZNTEPF-UHFFFAOYSA-N 2 1 363.506 0.906 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001205584032 1223332358 /nfs/dbraw/zinc/33/23/58/1223332358.db2.gz CJMQCEICFHCENL-JQHSSLGASA-N 2 1 365.449 0.687 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001205584032 1223332360 /nfs/dbraw/zinc/33/23/60/1223332360.db2.gz CJMQCEICFHCENL-JQHSSLGASA-N 2 1 365.449 0.687 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205668784 1223334386 /nfs/dbraw/zinc/33/43/86/1223334386.db2.gz REJADXZYADGNRK-DOTOQJQBSA-N 2 1 364.465 0.798 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001205678444 1223334724 /nfs/dbraw/zinc/33/47/24/1223334724.db2.gz GZCAHQGUGBHDNF-DOTOQJQBSA-N 2 1 364.465 0.798 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC001205742236 1223337530 /nfs/dbraw/zinc/33/75/30/1223337530.db2.gz MDPJDWHOWZTDMN-UHFFFAOYSA-N 2 1 365.526 0.934 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC001205742236 1223337531 /nfs/dbraw/zinc/33/75/31/1223337531.db2.gz MDPJDWHOWZTDMN-UHFFFAOYSA-N 2 1 365.526 0.934 20 0 FCADMP C[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739892 1223367982 /nfs/dbraw/zinc/36/79/82/1223367982.db2.gz VKAFCRRVWGYCFH-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739892 1223367986 /nfs/dbraw/zinc/36/79/86/1223367986.db2.gz VKAFCRRVWGYCFH-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001206739892 1223367989 /nfs/dbraw/zinc/36/79/89/1223367989.db2.gz VKAFCRRVWGYCFH-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001206739892 1223367994 /nfs/dbraw/zinc/36/79/94/1223367994.db2.gz VKAFCRRVWGYCFH-BRWVUGGUSA-N 2 1 364.494 0.216 20 0 FCADMP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207396378 1223443496 /nfs/dbraw/zinc/44/34/96/1223443496.db2.gz GYOGZCBWIRRBCB-INIZCTEOSA-N 2 1 359.478 0.851 20 0 FCADMP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1CC1CC[NH+](C)CC1 ZINC001207396378 1223443500 /nfs/dbraw/zinc/44/35/00/1223443500.db2.gz GYOGZCBWIRRBCB-INIZCTEOSA-N 2 1 359.478 0.851 20 0 FCADMP O=C(N[C@H]1CCO[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1)c1cnccn1 ZINC001207435167 1223446840 /nfs/dbraw/zinc/44/68/40/1223446840.db2.gz JAOSTKLWCUIUHO-QFBILLFUSA-N 2 1 359.474 0.830 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000977930636 1248681184 /nfs/dbraw/zinc/68/11/84/1248681184.db2.gz WGQIOKMAZKJYFT-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2CC[NH+](C)CC2)O1 ZINC000977930636 1248681190 /nfs/dbraw/zinc/68/11/90/1248681190.db2.gz WGQIOKMAZKJYFT-HYVNUMGLSA-N 2 1 366.506 0.107 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543053 1223453571 /nfs/dbraw/zinc/45/35/71/1223453571.db2.gz CFWSBQPKAJNKAQ-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543053 1223453573 /nfs/dbraw/zinc/45/35/73/1223453573.db2.gz CFWSBQPKAJNKAQ-OWCLPIDISA-N 2 1 368.522 0.448 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)nc1C ZINC001276541431 1223460778 /nfs/dbraw/zinc/46/07/78/1223460778.db2.gz DAFCTUUFAIMDIK-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)nc1C ZINC001276541431 1223460780 /nfs/dbraw/zinc/46/07/80/1223460780.db2.gz DAFCTUUFAIMDIK-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207686444 1223471095 /nfs/dbraw/zinc/47/10/95/1223471095.db2.gz BHEBJIDPPNYMKU-NVXWUHKLSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207686444 1223471099 /nfs/dbraw/zinc/47/10/99/1223471099.db2.gz BHEBJIDPPNYMKU-NVXWUHKLSA-N 2 1 362.518 0.825 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757371 1223475874 /nfs/dbraw/zinc/47/58/74/1223475874.db2.gz AJXMAPNSZUGQHM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757371 1223475876 /nfs/dbraw/zinc/47/58/76/1223475876.db2.gz AJXMAPNSZUGQHM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757371 1223475878 /nfs/dbraw/zinc/47/58/78/1223475878.db2.gz AJXMAPNSZUGQHM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757371 1223475879 /nfs/dbraw/zinc/47/58/79/1223475879.db2.gz AJXMAPNSZUGQHM-HZSPNIEDSA-N 2 1 369.510 0.387 20 0 FCADMP CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001207966841 1223500697 /nfs/dbraw/zinc/50/06/97/1223500697.db2.gz NPQFPLUNMWUFKK-CZUORRHYSA-N 2 1 356.430 0.454 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092061 1223515344 /nfs/dbraw/zinc/51/53/44/1223515344.db2.gz IEJBKBKVHQRINU-HHXXYDBFSA-N 2 1 363.502 0.848 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208091847 1223515510 /nfs/dbraw/zinc/51/55/10/1223515510.db2.gz BTLACNGRTBJREH-CRAIPNDOSA-N 2 1 360.502 0.977 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208091847 1223515513 /nfs/dbraw/zinc/51/55/13/1223515513.db2.gz BTLACNGRTBJREH-CRAIPNDOSA-N 2 1 360.502 0.977 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208427623 1223544585 /nfs/dbraw/zinc/54/45/85/1223544585.db2.gz DGMRTZKRGDUUSP-OWCLPIDISA-N 2 1 368.522 0.306 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208427623 1223544587 /nfs/dbraw/zinc/54/45/87/1223544587.db2.gz DGMRTZKRGDUUSP-OWCLPIDISA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208574678 1223559048 /nfs/dbraw/zinc/55/90/48/1223559048.db2.gz FAUYTZFPRXDPQR-RBSFLKMASA-N 2 1 367.494 0.095 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604188 1223562014 /nfs/dbraw/zinc/56/20/14/1223562014.db2.gz CYDCCRJKLWBGNE-IXDOHACOSA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604188 1223562017 /nfs/dbraw/zinc/56/20/17/1223562017.db2.gz CYDCCRJKLWBGNE-IXDOHACOSA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604188 1223562020 /nfs/dbraw/zinc/56/20/20/1223562020.db2.gz CYDCCRJKLWBGNE-IXDOHACOSA-N 2 1 371.522 0.179 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208604850 1223562269 /nfs/dbraw/zinc/56/22/69/1223562269.db2.gz LBTFDHBKZWCSEZ-CKEIUWERSA-N 2 1 366.462 0.328 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208604850 1223562275 /nfs/dbraw/zinc/56/22/75/1223562275.db2.gz LBTFDHBKZWCSEZ-CKEIUWERSA-N 2 1 366.462 0.328 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208609068 1223562391 /nfs/dbraw/zinc/56/23/91/1223562391.db2.gz UIYDOFZBDKRYFP-INIZCTEOSA-N 2 1 360.502 0.679 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208609068 1223562393 /nfs/dbraw/zinc/56/23/93/1223562393.db2.gz UIYDOFZBDKRYFP-INIZCTEOSA-N 2 1 360.502 0.679 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609068 1223562396 /nfs/dbraw/zinc/56/23/96/1223562396.db2.gz UIYDOFZBDKRYFP-INIZCTEOSA-N 2 1 360.502 0.679 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612429 1223563927 /nfs/dbraw/zinc/56/39/27/1223563927.db2.gz IANPSBZZRIKICL-MKXGPGLRSA-N 2 1 365.518 0.772 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612429 1223563933 /nfs/dbraw/zinc/56/39/33/1223563933.db2.gz IANPSBZZRIKICL-MKXGPGLRSA-N 2 1 365.518 0.772 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001208612429 1223563937 /nfs/dbraw/zinc/56/39/37/1223563937.db2.gz IANPSBZZRIKICL-MKXGPGLRSA-N 2 1 365.518 0.772 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738932 1223574848 /nfs/dbraw/zinc/57/48/48/1223574848.db2.gz LWRWROGBCIGIAU-KZNAEPCWSA-N 2 1 363.506 0.821 20 0 FCADMP CC(C)=CCN1C[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276629927 1223608015 /nfs/dbraw/zinc/60/80/15/1223608015.db2.gz FGHJCHMJFQTADY-HXUWFJFHSA-N 2 1 364.534 0.893 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CCN3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608353 /nfs/dbraw/zinc/60/83/53/1223608353.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 1 362.522 0.784 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209699330 1223642103 /nfs/dbraw/zinc/64/21/03/1223642103.db2.gz ZKTAVDGXJPVMNT-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209729840 1223644878 /nfs/dbraw/zinc/64/48/78/1223644878.db2.gz DQVMKGRKOXWBIW-UHFFFAOYSA-N 2 1 355.442 0.345 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209729840 1223644880 /nfs/dbraw/zinc/64/48/80/1223644880.db2.gz DQVMKGRKOXWBIW-UHFFFAOYSA-N 2 1 355.442 0.345 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+](Cc4c[nH+]ccc4N)C[C@@H]32)cn1 ZINC001209734174 1223646140 /nfs/dbraw/zinc/64/61/40/1223646140.db2.gz MPJBWWWBFRWOFX-QANKJYHBSA-N 2 1 370.457 0.495 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@@H+](Cc4c[nH+]ccc4N)C[C@@H]32)cn1 ZINC001209734174 1223646143 /nfs/dbraw/zinc/64/61/43/1223646143.db2.gz MPJBWWWBFRWOFX-QANKJYHBSA-N 2 1 370.457 0.495 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836979 1223653016 /nfs/dbraw/zinc/65/30/16/1223653016.db2.gz TVGQVQGMGJCSLK-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836979 1223653019 /nfs/dbraw/zinc/65/30/19/1223653019.db2.gz TVGQVQGMGJCSLK-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299232 1223681774 /nfs/dbraw/zinc/68/17/74/1223681774.db2.gz ZWKGIVGDITVWME-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299232 1223681775 /nfs/dbraw/zinc/68/17/75/1223681775.db2.gz ZWKGIVGDITVWME-OWCLPIDISA-N 2 1 370.538 0.694 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315008 1223682062 /nfs/dbraw/zinc/68/20/62/1223682062.db2.gz HYSGQIVPOAYKGE-NVXWUHKLSA-N 2 1 363.506 0.662 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476517 1223694069 /nfs/dbraw/zinc/69/40/69/1223694069.db2.gz DCWGHGXKMBIQOD-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476517 1223694073 /nfs/dbraw/zinc/69/40/73/1223694073.db2.gz DCWGHGXKMBIQOD-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476517 1223694075 /nfs/dbraw/zinc/69/40/75/1223694075.db2.gz DCWGHGXKMBIQOD-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC001210476517 1223694078 /nfs/dbraw/zinc/69/40/78/1223694078.db2.gz DCWGHGXKMBIQOD-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210497158 1223694624 /nfs/dbraw/zinc/69/46/24/1223694624.db2.gz AMYZRNGISZJCOG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210497158 1223694627 /nfs/dbraw/zinc/69/46/27/1223694627.db2.gz AMYZRNGISZJCOG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210497158 1223694629 /nfs/dbraw/zinc/69/46/29/1223694629.db2.gz AMYZRNGISZJCOG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001210497158 1223694631 /nfs/dbraw/zinc/69/46/31/1223694631.db2.gz AMYZRNGISZJCOG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301731 1223733514 /nfs/dbraw/zinc/73/35/14/1223733514.db2.gz ZTOVRKZXWHGMRR-FGTMMUONSA-N 2 1 363.506 0.557 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444329 1223742853 /nfs/dbraw/zinc/74/28/53/1223742853.db2.gz VHHUUHMRRYZBLY-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444329 1223742855 /nfs/dbraw/zinc/74/28/55/1223742855.db2.gz VHHUUHMRRYZBLY-QLFBSQMISA-N 2 1 367.494 0.272 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213800 1223769222 /nfs/dbraw/zinc/76/92/22/1223769222.db2.gz SBHKSVVLXXEHBD-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213800 1223769223 /nfs/dbraw/zinc/76/92/23/1223769223.db2.gz SBHKSVVLXXEHBD-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213338069 1223787653 /nfs/dbraw/zinc/78/76/53/1223787653.db2.gz PPWVUSAAPTTWTF-HZPDHXFCSA-N 2 1 362.474 0.043 20 0 FCADMP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342242 1223788246 /nfs/dbraw/zinc/78/82/46/1223788246.db2.gz NMVKXQDODBBHPM-GVDBMIGSSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342242 1223788247 /nfs/dbraw/zinc/78/82/47/1223788247.db2.gz NMVKXQDODBBHPM-GVDBMIGSSA-N 2 1 369.506 0.339 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374439 1223791938 /nfs/dbraw/zinc/79/19/38/1223791938.db2.gz GYCDZVYPXJRREF-CRAIPNDOSA-N 2 1 365.474 0.841 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374439 1223791940 /nfs/dbraw/zinc/79/19/40/1223791940.db2.gz GYCDZVYPXJRREF-CRAIPNDOSA-N 2 1 365.474 0.841 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378126 1223792152 /nfs/dbraw/zinc/79/21/52/1223792152.db2.gz DTRQSQCWJOJQSX-IIDMSEBBSA-N 2 1 363.458 0.594 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378126 1223792154 /nfs/dbraw/zinc/79/21/54/1223792154.db2.gz DTRQSQCWJOJQSX-IIDMSEBBSA-N 2 1 363.458 0.594 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449402 1223800610 /nfs/dbraw/zinc/80/06/10/1223800610.db2.gz NHTPBLOWQGLDSC-BZUAXINKSA-N 2 1 370.538 0.824 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449402 1223800613 /nfs/dbraw/zinc/80/06/13/1223800613.db2.gz NHTPBLOWQGLDSC-BZUAXINKSA-N 2 1 370.538 0.824 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449402 1223800616 /nfs/dbraw/zinc/80/06/16/1223800616.db2.gz NHTPBLOWQGLDSC-BZUAXINKSA-N 2 1 370.538 0.824 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449402 1223800617 /nfs/dbraw/zinc/80/06/17/1223800617.db2.gz NHTPBLOWQGLDSC-BZUAXINKSA-N 2 1 370.538 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638329 1223825993 /nfs/dbraw/zinc/82/59/93/1223825993.db2.gz JCGHPXJWSPPXNG-CGTJXYLNSA-N 2 1 369.506 0.482 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759481 1223845307 /nfs/dbraw/zinc/84/53/07/1223845307.db2.gz NIKOFNXSYMORNY-USXIJHARSA-N 2 1 370.538 0.837 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863033 1223864066 /nfs/dbraw/zinc/86/40/66/1223864066.db2.gz ADFGCYNIMCSTOU-RCCFBDPRSA-N 2 1 371.522 0.585 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868509 1223864984 /nfs/dbraw/zinc/86/49/84/1223864984.db2.gz YQOZMEZZQSWGTQ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868509 1223864985 /nfs/dbraw/zinc/86/49/85/1223864985.db2.gz YQOZMEZZQSWGTQ-IXDOHACOSA-N 2 1 366.506 0.347 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597525 1223924668 /nfs/dbraw/zinc/92/46/68/1223924668.db2.gz LGSTZNGXFSSCJD-RBSFLKMASA-N 2 1 367.494 0.141 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214610958 1223926078 /nfs/dbraw/zinc/92/60/78/1223926078.db2.gz IKJMUOIVAXESJK-RBSFLKMASA-N 2 1 363.462 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]CCOCC1CC1 ZINC001214850333 1223948041 /nfs/dbraw/zinc/94/80/41/1223948041.db2.gz SPQJUDJMPCWRQT-KBAYOESNSA-N 2 1 363.506 0.676 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969228 1223960852 /nfs/dbraw/zinc/96/08/52/1223960852.db2.gz MDZVZPLHDRUCSZ-KFWWJZLASA-N 2 1 367.494 0.143 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccccc2)C1 ZINC001215155699 1223978381 /nfs/dbraw/zinc/97/83/81/1223978381.db2.gz FTKKNRZUGLQFQZ-CRAIPNDOSA-N 2 1 369.469 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215184608 1223980605 /nfs/dbraw/zinc/98/06/05/1223980605.db2.gz LARHDUZYSNWXAJ-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215228500 1223984253 /nfs/dbraw/zinc/98/42/53/1223984253.db2.gz SIPCITPFAOHTDQ-GDBMZVCRSA-N 2 1 363.510 0.801 20 0 FCADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215228500 1223984256 /nfs/dbraw/zinc/98/42/56/1223984256.db2.gz SIPCITPFAOHTDQ-GDBMZVCRSA-N 2 1 363.510 0.801 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001215392859 1223995683 /nfs/dbraw/zinc/99/56/83/1223995683.db2.gz FHKZIDYKKUNPIT-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001215392859 1223995684 /nfs/dbraw/zinc/99/56/84/1223995684.db2.gz FHKZIDYKKUNPIT-OIISXLGYSA-N 2 1 366.506 0.058 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604461 1224009233 /nfs/dbraw/zinc/00/92/33/1224009233.db2.gz BZMBSBHHAJFWQM-NRSFXHEJSA-N 2 1 358.486 0.514 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774401 1224017652 /nfs/dbraw/zinc/01/76/52/1224017652.db2.gz OCTWNYIULRKECO-KFWWJZLASA-N 2 1 367.494 0.141 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978184453 1248719397 /nfs/dbraw/zinc/71/93/97/1248719397.db2.gz UNPWGCVWTJFHIM-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978184453 1248719407 /nfs/dbraw/zinc/71/94/07/1248719407.db2.gz UNPWGCVWTJFHIM-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978184453 1248719413 /nfs/dbraw/zinc/71/94/13/1248719413.db2.gz UNPWGCVWTJFHIM-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001215934404 1224025091 /nfs/dbraw/zinc/02/50/91/1224025091.db2.gz RKTHGIJWLYDFAY-RHSMWYFYSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001215934215 1224025151 /nfs/dbraw/zinc/02/51/51/1224025151.db2.gz IVFIHQGNSVBLPG-BPLDGKMQSA-N 2 1 361.446 0.213 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215934218 1224025197 /nfs/dbraw/zinc/02/51/97/1224025197.db2.gz JBLKGBZJDVBXFA-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001215938521 1224025925 /nfs/dbraw/zinc/02/59/25/1224025925.db2.gz CYOPTMHEGLOAFC-IAGOWNOFSA-N 2 1 364.494 0.217 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001215972939 1224027730 /nfs/dbraw/zinc/02/77/30/1224027730.db2.gz FYKDCNJENZAIKM-BZUAXINKSA-N 2 1 366.506 0.740 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216081531 1224033833 /nfs/dbraw/zinc/03/38/33/1224033833.db2.gz GMJVSRLZOZTSOC-CZUORRHYSA-N 2 1 356.430 0.406 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216324252 1224044327 /nfs/dbraw/zinc/04/43/27/1224044327.db2.gz SINZHJNEGBTZPZ-KFWWJZLASA-N 2 1 367.494 0.272 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001216401999 1224048595 /nfs/dbraw/zinc/04/85/95/1224048595.db2.gz RLNWGTZBTBLIIJ-HUUCEWRRSA-N 2 1 364.494 0.129 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nnnn1C1CC1 ZINC001216401696 1224048650 /nfs/dbraw/zinc/04/86/50/1224048650.db2.gz PBLGMFIYAKILFV-VNHYZAJKSA-N 2 1 365.482 0.084 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nnnn1C1CC1 ZINC001216401694 1224048686 /nfs/dbraw/zinc/04/86/86/1224048686.db2.gz PBLGMFIYAKILFV-UMVBOHGHSA-N 2 1 365.482 0.084 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752892 1224068246 /nfs/dbraw/zinc/06/82/46/1224068246.db2.gz ZABDYOUKZAICIX-IXDOHACOSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216851801 1224079138 /nfs/dbraw/zinc/07/91/38/1224079138.db2.gz ISGKFFJSAKUIAP-JFIYKMOQSA-N 2 1 371.522 0.320 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001216986883 1224083374 /nfs/dbraw/zinc/08/33/74/1224083374.db2.gz CWZNBNUTAQHDKB-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001216986883 1224083378 /nfs/dbraw/zinc/08/33/78/1224083378.db2.gz CWZNBNUTAQHDKB-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978347450 1248732019 /nfs/dbraw/zinc/73/20/19/1248732019.db2.gz CUWGSVYWVTVSRV-IDXRPEPOSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978347450 1248732028 /nfs/dbraw/zinc/73/20/28/1248732028.db2.gz CUWGSVYWVTVSRV-IDXRPEPOSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978347450 1248732037 /nfs/dbraw/zinc/73/20/37/1248732037.db2.gz CUWGSVYWVTVSRV-IDXRPEPOSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978347450 1248732043 /nfs/dbraw/zinc/73/20/43/1248732043.db2.gz CUWGSVYWVTVSRV-IDXRPEPOSA-N 2 1 359.474 0.298 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988015344 1249293397 /nfs/dbraw/zinc/29/33/97/1249293397.db2.gz YEPJJFOZLYISLL-HYVNUMGLSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988015344 1249293401 /nfs/dbraw/zinc/29/34/01/1249293401.db2.gz YEPJJFOZLYISLL-HYVNUMGLSA-N 2 1 361.490 0.839 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000823788697 1245321972 /nfs/dbraw/zinc/32/19/72/1245321972.db2.gz SQLBCCQTDUMLKP-DLBZAZTESA-N 2 1 363.506 0.515 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000823788697 1245321975 /nfs/dbraw/zinc/32/19/75/1245321975.db2.gz SQLBCCQTDUMLKP-DLBZAZTESA-N 2 1 363.506 0.515 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCOCC(OC)OC)CC2)CC1 ZINC000847853408 1245351428 /nfs/dbraw/zinc/35/14/28/1245351428.db2.gz WOEACKDCEFDPAJ-UHFFFAOYSA-N 2 1 371.522 0.934 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000848931892 1245387604 /nfs/dbraw/zinc/38/76/04/1245387604.db2.gz IHHRIHQPPWYCAX-QBPKDAKJSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848931892 1245387606 /nfs/dbraw/zinc/38/76/06/1245387606.db2.gz IHHRIHQPPWYCAX-QBPKDAKJSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848931892 1245387612 /nfs/dbraw/zinc/38/76/12/1245387612.db2.gz IHHRIHQPPWYCAX-QBPKDAKJSA-N 2 1 364.490 0.099 20 0 FCADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849081543 1245391610 /nfs/dbraw/zinc/39/16/10/1245391610.db2.gz DAMQFBCGVLQDQQ-UHFFFAOYSA-N 2 1 370.542 0.947 20 0 FCADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000849081543 1245391616 /nfs/dbraw/zinc/39/16/16/1245391616.db2.gz DAMQFBCGVLQDQQ-UHFFFAOYSA-N 2 1 370.542 0.947 20 0 FCADMP COCC(=O)Nc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849061316 1245391675 /nfs/dbraw/zinc/39/16/75/1245391675.db2.gz KKXFBYHGMSVSDY-UHFFFAOYSA-N 2 1 363.462 0.608 20 0 FCADMP COCCC1(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH2+]CC1 ZINC000891560400 1245455799 /nfs/dbraw/zinc/45/57/99/1245455799.db2.gz MIFRPYWQMUFQNL-MRXNPFEDSA-N 2 1 367.538 0.613 20 0 FCADMP COCCC1(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000891560400 1245455802 /nfs/dbraw/zinc/45/58/02/1245455802.db2.gz MIFRPYWQMUFQNL-MRXNPFEDSA-N 2 1 367.538 0.613 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911516489 1245504775 /nfs/dbraw/zinc/50/47/75/1245504775.db2.gz KOQNMAWJNQLFFQ-BMGDILEWSA-N 2 1 358.486 0.821 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911517435 1245504957 /nfs/dbraw/zinc/50/49/57/1245504957.db2.gz JHMDIPCIDRNUIP-VDHUWJSZSA-N 2 1 356.470 0.670 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911518250 1245505854 /nfs/dbraw/zinc/50/58/54/1245505854.db2.gz REFSQDVIGVSVLM-KBRIMQKVSA-N 2 1 374.485 0.031 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911518250 1245505862 /nfs/dbraw/zinc/50/58/62/1245505862.db2.gz REFSQDVIGVSVLM-KBRIMQKVSA-N 2 1 374.485 0.031 20 0 FCADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CCO[C@H](C)C1)C2 ZINC000915830298 1245530271 /nfs/dbraw/zinc/53/02/71/1245530271.db2.gz SWUZXJZINPRDTH-VDCDIQELSA-N 2 1 368.522 0.486 20 0 FCADMP CN(C(=O)CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000923323529 1245709458 /nfs/dbraw/zinc/70/94/58/1245709458.db2.gz IJKKZZRHGKWVBT-GOSISDBHSA-N 2 1 364.534 0.774 20 0 FCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000923483955 1245724377 /nfs/dbraw/zinc/72/43/77/1245724377.db2.gz UIQQPHAIYYGARZ-QGZVFWFLSA-N 2 1 372.513 0.936 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000938039203 1245813744 /nfs/dbraw/zinc/81/37/44/1245813744.db2.gz HUMSSLHZHMQHMV-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000938039203 1245813751 /nfs/dbraw/zinc/81/37/51/1245813751.db2.gz HUMSSLHZHMQHMV-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000938184481 1245835115 /nfs/dbraw/zinc/83/51/15/1245835115.db2.gz ZLMOXZYDALZELR-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC000938184481 1245835121 /nfs/dbraw/zinc/83/51/21/1245835121.db2.gz ZLMOXZYDALZELR-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000938273589 1245841256 /nfs/dbraw/zinc/84/12/56/1245841256.db2.gz NQCJWIMBMSLCKD-UKPHBRMFSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000938273589 1245841266 /nfs/dbraw/zinc/84/12/66/1245841266.db2.gz NQCJWIMBMSLCKD-UKPHBRMFSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000941786470 1246826542 /nfs/dbraw/zinc/82/65/42/1246826542.db2.gz WVMGOGVYFYZUJF-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000942248580 1247042570 /nfs/dbraw/zinc/04/25/70/1247042570.db2.gz LLJNFEGQAYOYCS-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)O1 ZINC000942248580 1247042584 /nfs/dbraw/zinc/04/25/84/1247042584.db2.gz LLJNFEGQAYOYCS-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)O1 ZINC000942248580 1247042594 /nfs/dbraw/zinc/04/25/94/1247042594.db2.gz LLJNFEGQAYOYCS-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)O1 ZINC000942248580 1247042603 /nfs/dbraw/zinc/04/26/03/1247042603.db2.gz LLJNFEGQAYOYCS-DMRKSPOLSA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944078849 1247464448 /nfs/dbraw/zinc/46/44/48/1247464448.db2.gz NEKUTEQCDRCXRY-VQHPVUNQSA-N 2 1 368.522 0.399 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC000944078849 1247464452 /nfs/dbraw/zinc/46/44/52/1247464452.db2.gz NEKUTEQCDRCXRY-VQHPVUNQSA-N 2 1 368.522 0.399 20 0 FCADMP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)CC[C@@H]3C2)C1=O ZINC000946631657 1247927503 /nfs/dbraw/zinc/92/75/03/1247927503.db2.gz SERKJIPKEDOIOB-DXWTWGPWSA-N 2 1 371.485 0.914 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946786603 1248016933 /nfs/dbraw/zinc/01/69/33/1248016933.db2.gz KUTZLWHZJBZZBE-JJTUDDRGSA-N 2 1 371.485 0.583 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]32)CC[N@H+]1C ZINC000976600981 1248278948 /nfs/dbraw/zinc/27/89/48/1248278948.db2.gz HVSCUMBAZUQXIW-WKRUXCHKSA-N 2 1 360.502 0.241 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000976601918 1248280990 /nfs/dbraw/zinc/28/09/90/1248280990.db2.gz YVJSCRSBDCQCJX-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976601918 1248281010 /nfs/dbraw/zinc/28/10/10/1248281010.db2.gz YVJSCRSBDCQCJX-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976601918 1248281016 /nfs/dbraw/zinc/28/10/16/1248281016.db2.gz YVJSCRSBDCQCJX-ZXLDYLNASA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)CC[N@@H+]1C ZINC000976609744 1248291455 /nfs/dbraw/zinc/29/14/55/1248291455.db2.gz OJPCLQVBEUGPLW-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)CC[N@H+]1C ZINC000976609744 1248291464 /nfs/dbraw/zinc/29/14/64/1248291464.db2.gz OJPCLQVBEUGPLW-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C ZINC000976853371 1248431383 /nfs/dbraw/zinc/43/13/83/1248431383.db2.gz KLQYDMJCEZMBOI-MTSZKFMLSA-N 2 1 360.502 0.528 20 0 FCADMP C[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000994847268 1250709718 /nfs/dbraw/zinc/70/97/18/1250709718.db2.gz KUACUCQOKQSNFL-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+]1CCCCCC1 ZINC000994847268 1250709731 /nfs/dbraw/zinc/70/97/31/1250709731.db2.gz KUACUCQOKQSNFL-HLLBOEOZSA-N 2 1 366.506 0.297 20 0 FCADMP NC(=O)C[C@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559308 /nfs/dbraw/zinc/55/93/08/1265559308.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 2 1 359.474 0.476 20 0 FCADMP NC(=O)C[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559320 /nfs/dbraw/zinc/55/93/20/1265559320.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 2 1 359.474 0.476 20 0 FCADMP NC(=O)C[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559328 /nfs/dbraw/zinc/55/93/28/1265559328.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 2 1 359.474 0.476 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC000996570640 1251391524 /nfs/dbraw/zinc/39/15/24/1251391524.db2.gz BATALAKECHSAQR-MUQADHOPSA-N 2 1 359.474 0.780 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH+]3CCN(CCO)CC3)CC2)CC[N@H+]1C ZINC000996776470 1251431038 /nfs/dbraw/zinc/43/10/38/1251431038.db2.gz NNOJXRLURBXPDH-WZOJCFFYSA-N 2 1 366.550 0.754 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328606971 1265586044 /nfs/dbraw/zinc/58/60/44/1265586044.db2.gz SUGZHJCHMQTEFP-QGZVFWFLSA-N 2 1 372.517 0.979 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997597338 1251634499 /nfs/dbraw/zinc/63/44/99/1251634499.db2.gz SDPMSFDVULYHLP-GZBFAFLISA-N 2 1 364.494 0.165 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997597338 1251634508 /nfs/dbraw/zinc/63/45/08/1251634508.db2.gz SDPMSFDVULYHLP-GZBFAFLISA-N 2 1 364.494 0.165 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997638233 1251649604 /nfs/dbraw/zinc/64/96/04/1251649604.db2.gz HLVCUDHIGMEALN-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997638233 1251649618 /nfs/dbraw/zinc/64/96/18/1251649618.db2.gz HLVCUDHIGMEALN-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)CC[N@@H+]1C ZINC000998126092 1251796738 /nfs/dbraw/zinc/79/67/38/1251796738.db2.gz UFFJLBKCTZSTRE-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)CC[N@H+]1C ZINC000998126092 1251796749 /nfs/dbraw/zinc/79/67/49/1251796749.db2.gz UFFJLBKCTZSTRE-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000998126092 1251796755 /nfs/dbraw/zinc/79/67/55/1251796755.db2.gz UFFJLBKCTZSTRE-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)CC[NH+]1C ZINC000998126092 1251796768 /nfs/dbraw/zinc/79/67/68/1251796768.db2.gz UFFJLBKCTZSTRE-BBWFWOEESA-N 2 1 366.506 0.153 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC000998466963 1251889014 /nfs/dbraw/zinc/88/90/14/1251889014.db2.gz PSIRXCZXNJQQRL-MUQADHOPSA-N 2 1 359.474 0.780 20 0 FCADMP C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CCC1 ZINC000998655810 1251942778 /nfs/dbraw/zinc/94/27/78/1251942778.db2.gz PPIZDACVXNKEHQ-IKGGRYGDSA-N 2 1 360.502 0.815 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999197665 1252068836 /nfs/dbraw/zinc/06/88/36/1252068836.db2.gz YAGIWMVXTCXNTA-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999197665 1252068845 /nfs/dbraw/zinc/06/88/45/1252068845.db2.gz YAGIWMVXTCXNTA-OWCLPIDISA-N 2 1 363.510 0.894 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001002834945 1252695254 /nfs/dbraw/zinc/69/52/54/1252695254.db2.gz LFVAVPLDKJHFBL-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001002834945 1252695263 /nfs/dbraw/zinc/69/52/63/1252695263.db2.gz LFVAVPLDKJHFBL-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001002835547 1252696071 /nfs/dbraw/zinc/69/60/71/1252696071.db2.gz PHMQEXYYDXXHOB-ZACQAIPSSA-N 2 1 359.474 0.781 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002845854 1252704685 /nfs/dbraw/zinc/70/46/85/1252704685.db2.gz TWPNICLHHFWVDU-AEFFLSMTSA-N 2 1 366.506 0.060 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001003193105 1252803172 /nfs/dbraw/zinc/80/31/72/1252803172.db2.gz HIYBNSIQIAOXCJ-WCXIOVBPSA-N 2 1 364.490 0.051 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001003193105 1252803181 /nfs/dbraw/zinc/80/31/81/1252803181.db2.gz HIYBNSIQIAOXCJ-WCXIOVBPSA-N 2 1 364.490 0.051 20 0 FCADMP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001004211808 1253249216 /nfs/dbraw/zinc/24/92/16/1253249216.db2.gz SJSWIAIAXCDGGE-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001004211808 1253249223 /nfs/dbraw/zinc/24/92/23/1253249223.db2.gz SJSWIAIAXCDGGE-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001004211808 1253249231 /nfs/dbraw/zinc/24/92/31/1253249231.db2.gz SJSWIAIAXCDGGE-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC001004303378 1253275987 /nfs/dbraw/zinc/27/59/87/1253275987.db2.gz QLRHWEIAVXHHQW-VQHPVUNQSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004392272 1253311595 /nfs/dbraw/zinc/31/15/95/1253311595.db2.gz BMBAAYJMMYADSK-VQHPVUNQSA-N 2 1 360.502 0.672 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004401994 1253314786 /nfs/dbraw/zinc/31/47/86/1253314786.db2.gz YKNHCYHANQIZMK-OAGGEKHMSA-N 2 1 357.458 0.535 20 0 FCADMP Cc1[nH+]ccn1CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C ZINC001519466406 1265722649 /nfs/dbraw/zinc/72/26/49/1265722649.db2.gz VYAJOZYYIOSZJP-MRXNPFEDSA-N 2 1 359.478 0.721 20 0 FCADMP Cc1ccccc1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329296401 1265728752 /nfs/dbraw/zinc/72/87/52/1265728752.db2.gz CLZUFWSEHMCGBF-GOSISDBHSA-N 2 1 372.513 0.938 20 0 FCADMP Cc1ccccc1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001329296401 1265728755 /nfs/dbraw/zinc/72/87/55/1265728755.db2.gz CLZUFWSEHMCGBF-GOSISDBHSA-N 2 1 372.513 0.938 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001005407117 1253547863 /nfs/dbraw/zinc/54/78/63/1253547863.db2.gz MCCKRLDJVGSBLH-GDBMZVCRSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001005579758 1253583014 /nfs/dbraw/zinc/58/30/14/1253583014.db2.gz FJGIFNOFEXRQOP-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001005579758 1253583016 /nfs/dbraw/zinc/58/30/16/1253583016.db2.gz FJGIFNOFEXRQOP-CRAIPNDOSA-N 2 1 363.506 0.605 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC001022174837 1253803367 /nfs/dbraw/zinc/80/33/67/1253803367.db2.gz MUOVYOKGKNLUJX-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC001022174837 1253803379 /nfs/dbraw/zinc/80/33/79/1253803379.db2.gz MUOVYOKGKNLUJX-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001026497194 1253845354 /nfs/dbraw/zinc/84/53/54/1253845354.db2.gz RXBCNWHIUMXQSG-SJJHQCBESA-N 2 1 365.522 0.759 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027418493 1253852018 /nfs/dbraw/zinc/85/20/18/1253852018.db2.gz DYRZHOLVZOLNNA-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027418493 1253852030 /nfs/dbraw/zinc/85/20/30/1253852030.db2.gz DYRZHOLVZOLNNA-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001027418493 1253852044 /nfs/dbraw/zinc/85/20/44/1253852044.db2.gz DYRZHOLVZOLNNA-YESZJQIVSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197654 1253950410 /nfs/dbraw/zinc/95/04/10/1253950410.db2.gz RDBRSJCLAGYOGZ-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197654 1253950419 /nfs/dbraw/zinc/95/04/19/1253950419.db2.gz RDBRSJCLAGYOGZ-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197654 1253950428 /nfs/dbraw/zinc/95/04/28/1253950428.db2.gz RDBRSJCLAGYOGZ-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)O1 ZINC001033197654 1253950439 /nfs/dbraw/zinc/95/04/39/1253950439.db2.gz RDBRSJCLAGYOGZ-AYOQOUSVSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001034939636 1254010438 /nfs/dbraw/zinc/01/04/38/1254010438.db2.gz IKIBLJIIHJWTAE-RBSFLKMASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001034939636 1254010449 /nfs/dbraw/zinc/01/04/49/1254010449.db2.gz IKIBLJIIHJWTAE-RBSFLKMASA-N 2 1 363.510 0.849 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)N4CCC4)C3)CC2)CC[N@H+]1C ZINC001035187350 1254021015 /nfs/dbraw/zinc/02/10/15/1254021015.db2.gz UMUFLSZXYOPMJQ-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CC(=O)N4CCC4)C3)CC2)CC[NH+]1C ZINC001035187350 1254021025 /nfs/dbraw/zinc/02/10/25/1254021025.db2.gz UMUFLSZXYOPMJQ-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CC(=O)N4CCC4)C3)CC2)CC[NH+]1C ZINC001035187350 1254021033 /nfs/dbraw/zinc/02/10/33/1254021033.db2.gz UMUFLSZXYOPMJQ-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@H]4CCCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035709161 1254056209 /nfs/dbraw/zinc/05/62/09/1254056209.db2.gz QNQTYESBEUQPOV-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCC(=O)NC4=O)C3)CC2)CC[N@@H+]1C ZINC001035708973 1254056963 /nfs/dbraw/zinc/05/69/63/1254056963.db2.gz NZJYXFNKTYYZKW-RBSFLKMASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCC(=O)NC4=O)C3)CC2)CC[N@H+]1C ZINC001035708973 1254056969 /nfs/dbraw/zinc/05/69/69/1254056969.db2.gz NZJYXFNKTYYZKW-RBSFLKMASA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC001061621585 1254194965 /nfs/dbraw/zinc/19/49/65/1254194965.db2.gz ZITKYPAXCWUKHB-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001061655569 1254198586 /nfs/dbraw/zinc/19/85/86/1254198586.db2.gz RFXXFKCELOMUML-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC2)CC[N@H+]1C ZINC001063221398 1254314129 /nfs/dbraw/zinc/31/41/29/1254314129.db2.gz ARIOPXSGCJGSSK-DJIMGWMZSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063239885 1254321877 /nfs/dbraw/zinc/32/18/77/1254321877.db2.gz AWRPECUQJAZMEI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC2)C1 ZINC001063239885 1254321882 /nfs/dbraw/zinc/32/18/82/1254321882.db2.gz AWRPECUQJAZMEI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)C1 ZINC001063239885 1254321886 /nfs/dbraw/zinc/32/18/86/1254321886.db2.gz AWRPECUQJAZMEI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063239885 1254321892 /nfs/dbraw/zinc/32/18/92/1254321892.db2.gz AWRPECUQJAZMEI-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@@H+]1C ZINC001063496610 1254352962 /nfs/dbraw/zinc/35/29/62/1254352962.db2.gz BTORKAVNAGMCID-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@H+]1C ZINC001063496610 1254352971 /nfs/dbraw/zinc/35/29/71/1254352971.db2.gz BTORKAVNAGMCID-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063496610 1254352976 /nfs/dbraw/zinc/35/29/76/1254352976.db2.gz BTORKAVNAGMCID-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063496610 1254352983 /nfs/dbraw/zinc/35/29/83/1254352983.db2.gz BTORKAVNAGMCID-KLHDSHLOSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001065212895 1254495912 /nfs/dbraw/zinc/49/59/12/1254495912.db2.gz XVHWVQBHHFXDIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001065212895 1254495924 /nfs/dbraw/zinc/49/59/24/1254495924.db2.gz XVHWVQBHHFXDIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001065212895 1254495932 /nfs/dbraw/zinc/49/59/32/1254495932.db2.gz XVHWVQBHHFXDIK-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001066218209 1254606343 /nfs/dbraw/zinc/60/63/43/1254606343.db2.gz BKPLHSQRDANUOX-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067642213 1254610447 /nfs/dbraw/zinc/61/04/47/1254610447.db2.gz VUEHQOIAGPXTBX-ZACQAIPSSA-N 2 1 370.538 0.599 20 0 FCADMP CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067642213 1254610459 /nfs/dbraw/zinc/61/04/59/1254610459.db2.gz VUEHQOIAGPXTBX-ZACQAIPSSA-N 2 1 370.538 0.599 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001077612394 1254774970 /nfs/dbraw/zinc/77/49/70/1254774970.db2.gz GIDHQLNMUGYZDC-RTBURBONSA-N 2 1 360.502 0.756 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817169 1255018330 /nfs/dbraw/zinc/01/83/30/1255018330.db2.gz QVZKDGUIHFILSF-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)cc1 ZINC001077844193 1255042493 /nfs/dbraw/zinc/04/24/93/1255042493.db2.gz ZVXFNRROEHHIHR-QXAKKESOSA-N 2 1 361.486 0.950 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907065 1255087468 /nfs/dbraw/zinc/08/74/68/1255087468.db2.gz VTRYOFLULCWAPT-RCCFBDPRSA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907065 1255087476 /nfs/dbraw/zinc/08/74/76/1255087476.db2.gz VTRYOFLULCWAPT-RCCFBDPRSA-N 2 1 371.441 0.611 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)CC1 ZINC001077923889 1255105411 /nfs/dbraw/zinc/10/54/11/1255105411.db2.gz JJIMDNVMWUPLNC-QZTJIDSGSA-N 2 1 363.506 0.244 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078006267 1255161782 /nfs/dbraw/zinc/16/17/82/1255161782.db2.gz XXGZVZBIRLPUOE-IPMKNSEASA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078006267 1255161787 /nfs/dbraw/zinc/16/17/87/1255161787.db2.gz XXGZVZBIRLPUOE-IPMKNSEASA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078006267 1255161789 /nfs/dbraw/zinc/16/17/89/1255161789.db2.gz XXGZVZBIRLPUOE-IPMKNSEASA-N 2 1 361.486 0.836 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078011827 1255167738 /nfs/dbraw/zinc/16/77/38/1255167738.db2.gz JUCSRCDKNVHLEK-QZTJIDSGSA-N 2 1 359.470 0.631 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078011827 1255167739 /nfs/dbraw/zinc/16/77/39/1255167739.db2.gz JUCSRCDKNVHLEK-QZTJIDSGSA-N 2 1 359.470 0.631 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174164 1255287911 /nfs/dbraw/zinc/28/79/11/1255287911.db2.gz CVYVIBZFSMGYRV-ARFHVFGLSA-N 2 1 361.442 0.071 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174164 1255287918 /nfs/dbraw/zinc/28/79/18/1255287918.db2.gz CVYVIBZFSMGYRV-ARFHVFGLSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174164 1255287920 /nfs/dbraw/zinc/28/79/20/1255287920.db2.gz CVYVIBZFSMGYRV-ARFHVFGLSA-N 2 1 361.442 0.071 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)C1 ZINC001078174164 1255287925 /nfs/dbraw/zinc/28/79/25/1255287925.db2.gz CVYVIBZFSMGYRV-ARFHVFGLSA-N 2 1 361.442 0.071 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405078 1255409188 /nfs/dbraw/zinc/40/91/88/1255409188.db2.gz DEZYFSSOLYTNJJ-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405078 1255409191 /nfs/dbraw/zinc/40/91/91/1255409191.db2.gz DEZYFSSOLYTNJJ-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)CC[NH+](C)C)CC2)O1 ZINC001079066237 1255439854 /nfs/dbraw/zinc/43/98/54/1255439854.db2.gz HHBVOTBJDALITL-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)CC[NH+](C)C)CC2)O1 ZINC001079066237 1255439857 /nfs/dbraw/zinc/43/98/57/1255439857.db2.gz HHBVOTBJDALITL-BRWVUGGUSA-N 2 1 368.522 0.497 20 0 FCADMP CC[NH+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273768 1255497506 /nfs/dbraw/zinc/49/75/06/1255497506.db2.gz PHCYJGAHHVIIBR-FGTMMUONSA-N 2 1 365.518 0.914 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)on1 ZINC001079717354 1255583170 /nfs/dbraw/zinc/58/31/70/1255583170.db2.gz DRNWZCWRDWRTDV-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)on1 ZINC001079717354 1255583175 /nfs/dbraw/zinc/58/31/75/1255583175.db2.gz DRNWZCWRDWRTDV-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079710836 1255583601 /nfs/dbraw/zinc/58/36/01/1255583601.db2.gz YQKMOLHXFFNSQX-KBRIMQKVSA-N 2 1 360.506 0.885 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079710836 1255583606 /nfs/dbraw/zinc/58/36/06/1255583606.db2.gz YQKMOLHXFFNSQX-KBRIMQKVSA-N 2 1 360.506 0.885 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161359 1255766758 /nfs/dbraw/zinc/76/67/58/1255766758.db2.gz YNCVZBRFVXAKAZ-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161359 1255766765 /nfs/dbraw/zinc/76/67/65/1255766765.db2.gz YNCVZBRFVXAKAZ-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161359 1255766773 /nfs/dbraw/zinc/76/67/73/1255766773.db2.gz YNCVZBRFVXAKAZ-LGFHUAIBSA-N 2 1 363.502 0.713 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383381 1255868454 /nfs/dbraw/zinc/86/84/54/1255868454.db2.gz BRZYEYAGORWNLF-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383381 1255868461 /nfs/dbraw/zinc/86/84/61/1255868461.db2.gz BRZYEYAGORWNLF-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449545 1255893851 /nfs/dbraw/zinc/89/38/51/1255893851.db2.gz OSVPRUOCDIROEG-CLCXKQKWSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449545 1255893860 /nfs/dbraw/zinc/89/38/60/1255893860.db2.gz OSVPRUOCDIROEG-CLCXKQKWSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080449545 1255893867 /nfs/dbraw/zinc/89/38/67/1255893867.db2.gz OSVPRUOCDIROEG-CLCXKQKWSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080449545 1255893877 /nfs/dbraw/zinc/89/38/77/1255893877.db2.gz OSVPRUOCDIROEG-CLCXKQKWSA-N 2 1 368.497 0.868 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593287 1255946592 /nfs/dbraw/zinc/94/65/92/1255946592.db2.gz SOHMODBJIWIZFV-SOLBZPMBSA-N 2 1 363.506 0.921 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)ncn1 ZINC001080593232 1255947062 /nfs/dbraw/zinc/94/70/62/1255947062.db2.gz PGGOIKWUXCAKFC-RDTXWAMCSA-N 2 1 371.489 0.793 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)ncn1 ZINC001080593232 1255947070 /nfs/dbraw/zinc/94/70/70/1255947070.db2.gz PGGOIKWUXCAKFC-RDTXWAMCSA-N 2 1 371.489 0.793 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC001080787757 1256038088 /nfs/dbraw/zinc/03/80/88/1256038088.db2.gz QEAKAKDNRHLBJX-CZUORRHYSA-N 2 1 359.474 0.826 20 0 FCADMP COc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC001080787757 1256038093 /nfs/dbraw/zinc/03/80/93/1256038093.db2.gz QEAKAKDNRHLBJX-CZUORRHYSA-N 2 1 359.474 0.826 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080934952 1256103803 /nfs/dbraw/zinc/10/38/03/1256103803.db2.gz HAGRRAFDBYAYLZ-FRFSOERESA-N 2 1 356.474 0.857 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934952 1256103819 /nfs/dbraw/zinc/10/38/19/1256103819.db2.gz HAGRRAFDBYAYLZ-FRFSOERESA-N 2 1 356.474 0.857 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934952 1256103832 /nfs/dbraw/zinc/10/38/32/1256103832.db2.gz HAGRRAFDBYAYLZ-FRFSOERESA-N 2 1 356.474 0.857 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001081146456 1256192223 /nfs/dbraw/zinc/19/22/23/1256192223.db2.gz HJVQZGDSPXFGAS-HYVNUMGLSA-N 2 1 355.442 0.650 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670203 1256328859 /nfs/dbraw/zinc/32/88/59/1256328859.db2.gz IWQJTANVLFYMPU-LZLYRXPVSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670203 1256328864 /nfs/dbraw/zinc/32/88/64/1256328864.db2.gz IWQJTANVLFYMPU-LZLYRXPVSA-N 2 1 362.474 0.949 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670151 1256329546 /nfs/dbraw/zinc/32/95/46/1256329546.db2.gz HPYJUWYLGGOFJD-IPMKNSEASA-N 2 1 365.518 0.960 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767121 1256359159 /nfs/dbraw/zinc/35/91/59/1256359159.db2.gz RYRTXLWYJGETBZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767121 1256359168 /nfs/dbraw/zinc/35/91/68/1256359168.db2.gz RYRTXLWYJGETBZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767121 1256359176 /nfs/dbraw/zinc/35/91/76/1256359176.db2.gz RYRTXLWYJGETBZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001081767121 1256359184 /nfs/dbraw/zinc/35/91/84/1256359184.db2.gz RYRTXLWYJGETBZ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948134 1256467431 /nfs/dbraw/zinc/46/74/31/1256467431.db2.gz KLSOVSXKPADWQC-HZPDHXFCSA-N 2 1 355.402 0.055 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948134 1256467434 /nfs/dbraw/zinc/46/74/34/1256467434.db2.gz KLSOVSXKPADWQC-HZPDHXFCSA-N 2 1 355.402 0.055 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082132880 1256549843 /nfs/dbraw/zinc/54/98/43/1256549843.db2.gz WBSKZILPPDKKLF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082132880 1256549847 /nfs/dbraw/zinc/54/98/47/1256549847.db2.gz WBSKZILPPDKKLF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082132880 1256549854 /nfs/dbraw/zinc/54/98/54/1256549854.db2.gz WBSKZILPPDKKLF-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082144960 1256561343 /nfs/dbraw/zinc/56/13/43/1256561343.db2.gz LLVVBOINKSEFFT-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082144960 1256561347 /nfs/dbraw/zinc/56/13/47/1256561347.db2.gz LLVVBOINKSEFFT-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202397 1256587777 /nfs/dbraw/zinc/58/77/77/1256587777.db2.gz WHPWEIVCNJNAHO-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202397 1256587784 /nfs/dbraw/zinc/58/77/84/1256587784.db2.gz WHPWEIVCNJNAHO-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328788 1256671045 /nfs/dbraw/zinc/67/10/45/1256671045.db2.gz LKSVKPSBHWCABI-KZNAEPCWSA-N 2 1 359.470 0.631 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371212 1256720340 /nfs/dbraw/zinc/72/03/40/1256720340.db2.gz XOIZRHIQCDIJEK-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371212 1256720342 /nfs/dbraw/zinc/72/03/42/1256720342.db2.gz XOIZRHIQCDIJEK-GUDVDZBRSA-N 2 1 361.486 0.501 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082449922 1256767162 /nfs/dbraw/zinc/76/71/62/1256767162.db2.gz OVQJUWLDEZNTFW-KFWWJZLASA-N 2 1 363.510 0.501 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557852 1256854258 /nfs/dbraw/zinc/85/42/58/1256854258.db2.gz KGYFHJBFPYXXBW-KBRIMQKVSA-N 2 1 360.462 0.746 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)o1 ZINC001082557840 1256854871 /nfs/dbraw/zinc/85/48/71/1256854871.db2.gz JBRUCSRYCKKOPE-XYPHTWIQSA-N 2 1 360.462 0.746 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082559520 1256856437 /nfs/dbraw/zinc/85/64/37/1256856437.db2.gz ICMFSWJJTIDFIU-SRCQZFHVSA-N 2 1 360.506 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082560072 1256857310 /nfs/dbraw/zinc/85/73/10/1256857310.db2.gz YSWFGVBBTUTABL-AXAPSJFSSA-N 2 1 370.448 0.820 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082558549 1256858418 /nfs/dbraw/zinc/85/84/18/1256858418.db2.gz XCSNBENGBPBGGY-KBAYOESNSA-N 2 1 356.474 0.845 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082559710 1256858811 /nfs/dbraw/zinc/85/88/11/1256858811.db2.gz NEUJQZFYQMOUQX-FSPWUOQZSA-N 2 1 360.506 0.965 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082561958 1256860633 /nfs/dbraw/zinc/86/06/33/1256860633.db2.gz CINYKPZCWFCQKB-DVOMOZLQSA-N 2 1 361.494 0.990 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082561958 1256860641 /nfs/dbraw/zinc/86/06/41/1256860641.db2.gz CINYKPZCWFCQKB-DVOMOZLQSA-N 2 1 361.494 0.990 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082570193 1256877317 /nfs/dbraw/zinc/87/73/17/1256877317.db2.gz BJWSWBLPCWBLMA-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)c1nnnn1C ZINC001082588830 1256902640 /nfs/dbraw/zinc/90/26/40/1256902640.db2.gz RKJFJPHUEKATNI-QLFBSQMISA-N 2 1 361.494 0.584 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590159 1256904035 /nfs/dbraw/zinc/90/40/35/1256904035.db2.gz GDJYKELADGPGKX-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590159 1256904039 /nfs/dbraw/zinc/90/40/39/1256904039.db2.gz GDJYKELADGPGKX-MUIFIZLQSA-N 2 1 362.474 0.746 20 0 FCADMP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590454 1256904654 /nfs/dbraw/zinc/90/46/54/1256904654.db2.gz XDGJVIOQXCOATP-RRCSTGOVSA-N 2 1 363.462 0.141 20 0 FCADMP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590454 1256904658 /nfs/dbraw/zinc/90/46/58/1256904658.db2.gz XDGJVIOQXCOATP-RRCSTGOVSA-N 2 1 363.462 0.141 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082596189 1256908272 /nfs/dbraw/zinc/90/82/72/1256908272.db2.gz ZIOCSQYTFMYHNQ-MCIONIFRSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082596189 1256908273 /nfs/dbraw/zinc/90/82/73/1256908273.db2.gz ZIOCSQYTFMYHNQ-MCIONIFRSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082653306 1256957971 /nfs/dbraw/zinc/95/79/71/1256957971.db2.gz FCQOPCPSGOIKPY-LVPSCPSHSA-N 2 1 363.502 0.713 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702715 1256994515 /nfs/dbraw/zinc/99/45/15/1256994515.db2.gz DOODEJAKIYZUGI-DJIMGWMZSA-N 2 1 364.494 0.344 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702715 1256994521 /nfs/dbraw/zinc/99/45/21/1256994521.db2.gz DOODEJAKIYZUGI-DJIMGWMZSA-N 2 1 364.494 0.344 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001082710225 1257003234 /nfs/dbraw/zinc/00/32/34/1257003234.db2.gz LEXUQYKVFDGHQH-UKPHBRMFSA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082742158 1257023512 /nfs/dbraw/zinc/02/35/12/1257023512.db2.gz SYKGOUWVWKZZBX-SQWLQELKSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082742158 1257023520 /nfs/dbraw/zinc/02/35/20/1257023520.db2.gz SYKGOUWVWKZZBX-SQWLQELKSA-N 2 1 360.506 0.971 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807904 1257067043 /nfs/dbraw/zinc/06/70/43/1257067043.db2.gz JSJLGJNWPFVCKO-GDBMZVCRSA-N 2 1 364.494 0.265 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001082807810 1257067825 /nfs/dbraw/zinc/06/78/25/1257067825.db2.gz DUDJTFXBSAGAMU-NVXWUHKLSA-N 2 1 362.474 0.749 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082827907 1257085808 /nfs/dbraw/zinc/08/58/08/1257085808.db2.gz HEUZZRRCOONANO-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082851951 1257104557 /nfs/dbraw/zinc/10/45/57/1257104557.db2.gz LKPBGOHNKXAOLJ-RDTXWAMCSA-N 2 1 360.506 0.874 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1C1CC1 ZINC001082862996 1257113878 /nfs/dbraw/zinc/11/38/78/1257113878.db2.gz CHLCIIPTXJTVQK-CZUORRHYSA-N 2 1 358.490 0.954 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1 ZINC001082922395 1257146187 /nfs/dbraw/zinc/14/61/87/1257146187.db2.gz ASJVEZRYNNRHQK-NVXWUHKLSA-N 2 1 361.490 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)C1 ZINC001082933886 1257154698 /nfs/dbraw/zinc/15/46/98/1257154698.db2.gz NNLNRCPEIOGCNR-OLMNPRSZSA-N 2 1 362.474 0.747 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)ccn3)C2)C1 ZINC001082933886 1257154703 /nfs/dbraw/zinc/15/47/03/1257154703.db2.gz NNLNRCPEIOGCNR-OLMNPRSZSA-N 2 1 362.474 0.747 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082941645 1257160313 /nfs/dbraw/zinc/16/03/13/1257160313.db2.gz DLQWSYTYAYBKPJ-GDBMZVCRSA-N 2 1 361.494 0.821 20 0 FCADMP Cc1c(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)ccc2c[nH+]cn21 ZINC001083126362 1257365276 /nfs/dbraw/zinc/36/52/76/1257365276.db2.gz LSTSSLUHIZFWCP-IXDOHACOSA-N 2 1 369.425 0.056 20 0 FCADMP Cc1c(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)ccc2c[nH+]cn21 ZINC001083126362 1257365283 /nfs/dbraw/zinc/36/52/83/1257365283.db2.gz LSTSSLUHIZFWCP-IXDOHACOSA-N 2 1 369.425 0.056 20 0 FCADMP CC(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149100 1257404410 /nfs/dbraw/zinc/40/44/10/1257404410.db2.gz YSYRCOQMPWTPSS-VVJOJPPRSA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149100 1257404412 /nfs/dbraw/zinc/40/44/12/1257404412.db2.gz YSYRCOQMPWTPSS-VVJOJPPRSA-N 2 1 363.502 0.807 20 0 FCADMP CC(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149100 1257404414 /nfs/dbraw/zinc/40/44/14/1257404414.db2.gz YSYRCOQMPWTPSS-VVJOJPPRSA-N 2 1 363.502 0.807 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001521342602 1266113296 /nfs/dbraw/zinc/11/32/96/1266113296.db2.gz LZIQEQRDFLEKEV-KURKYZTESA-N 2 1 369.554 0.763 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083733322 1257470219 /nfs/dbraw/zinc/47/02/19/1257470219.db2.gz JJINNJNMUFMUGL-SJORKVTESA-N 2 1 365.474 0.933 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083733322 1257470223 /nfs/dbraw/zinc/47/02/23/1257470223.db2.gz JJINNJNMUFMUGL-SJORKVTESA-N 2 1 365.474 0.933 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781326 1257525953 /nfs/dbraw/zinc/52/59/53/1257525953.db2.gz CDJFRUZAYHDSMD-LZQZEXGQSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781326 1257525959 /nfs/dbraw/zinc/52/59/59/1257525959.db2.gz CDJFRUZAYHDSMD-LZQZEXGQSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781326 1257525965 /nfs/dbraw/zinc/52/59/65/1257525965.db2.gz CDJFRUZAYHDSMD-LZQZEXGQSA-N 2 1 361.486 0.741 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831740 1257584906 /nfs/dbraw/zinc/58/49/06/1257584906.db2.gz ZJGZKQYREJUMQL-JQHSSLGASA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831740 1257584909 /nfs/dbraw/zinc/58/49/09/1257584909.db2.gz ZJGZKQYREJUMQL-JQHSSLGASA-N 2 1 363.506 0.388 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)cn1 ZINC001083863672 1257625284 /nfs/dbraw/zinc/62/52/84/1257625284.db2.gz DCXXALBZFSNFRF-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)cn1 ZINC001083863672 1257625291 /nfs/dbraw/zinc/62/52/91/1257625291.db2.gz DCXXALBZFSNFRF-MOPGFXCFSA-N 2 1 371.485 0.499 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896078 1257671261 /nfs/dbraw/zinc/67/12/61/1257671261.db2.gz UNWWYRCESJWRNN-XYPHTWIQSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896078 1257671270 /nfs/dbraw/zinc/67/12/70/1257671270.db2.gz UNWWYRCESJWRNN-XYPHTWIQSA-N 2 1 357.414 0.079 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896112 1257672017 /nfs/dbraw/zinc/67/20/17/1257672017.db2.gz VTRYOFLULCWAPT-KSZLIROESA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896112 1257672023 /nfs/dbraw/zinc/67/20/23/1257672023.db2.gz VTRYOFLULCWAPT-KSZLIROESA-N 2 1 371.441 0.611 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908531 1257687963 /nfs/dbraw/zinc/68/79/63/1257687963.db2.gz JAHSXYMRUCDWNE-MSOLQXFVSA-N 2 1 363.506 0.510 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908531 1257687971 /nfs/dbraw/zinc/68/79/71/1257687971.db2.gz JAHSXYMRUCDWNE-MSOLQXFVSA-N 2 1 363.506 0.510 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001084090834 1257914633 /nfs/dbraw/zinc/91/46/33/1257914633.db2.gz KXSHQPNZTUVNPK-LZQZEXGQSA-N 2 1 361.486 0.950 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1F ZINC001331120357 1266152096 /nfs/dbraw/zinc/15/20/96/1266152096.db2.gz TTXIJNZTMGNODM-RISCZKNCSA-N 2 1 359.405 0.884 20 0 FCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001084347566 1258041817 /nfs/dbraw/zinc/04/18/17/1258041817.db2.gz VMWZGDNLDYSPGJ-CEXWTWQISA-N 2 1 357.502 0.837 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001084404988 1258083280 /nfs/dbraw/zinc/08/32/80/1258083280.db2.gz VJOACQUVYBGLJF-IXDOHACOSA-N 2 1 361.490 0.261 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084422415 1258102248 /nfs/dbraw/zinc/10/22/48/1258102248.db2.gz XYHWOQLZLHSFAR-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084422415 1258102253 /nfs/dbraw/zinc/10/22/53/1258102253.db2.gz XYHWOQLZLHSFAR-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084422415 1258102257 /nfs/dbraw/zinc/10/22/57/1258102257.db2.gz XYHWOQLZLHSFAR-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084446248 1258117380 /nfs/dbraw/zinc/11/73/80/1258117380.db2.gz ZTMDDEHWKZDKMH-BRWVUGGUSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084446248 1258117382 /nfs/dbraw/zinc/11/73/82/1258117382.db2.gz ZTMDDEHWKZDKMH-BRWVUGGUSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084446249 1258117503 /nfs/dbraw/zinc/11/75/03/1258117503.db2.gz ZTMDDEHWKZDKMH-IXDOHACOSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084446249 1258117508 /nfs/dbraw/zinc/11/75/08/1258117508.db2.gz ZTMDDEHWKZDKMH-IXDOHACOSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084521827 1258149279 /nfs/dbraw/zinc/14/92/79/1258149279.db2.gz ZBNFIIQWBFMTGG-RHSMWYFYSA-N 2 1 351.414 0.772 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@H]2CC[NH+](CCn3cccn3)C[C@H]21 ZINC001084532625 1258154997 /nfs/dbraw/zinc/15/49/97/1258154997.db2.gz HBTAKDXMJXYOCR-SYJBPTKTSA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084532625 1258155004 /nfs/dbraw/zinc/15/50/04/1258155004.db2.gz HBTAKDXMJXYOCR-SYJBPTKTSA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084532625 1258155011 /nfs/dbraw/zinc/15/50/11/1258155011.db2.gz HBTAKDXMJXYOCR-SYJBPTKTSA-N 2 1 371.485 0.279 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532585 1258155506 /nfs/dbraw/zinc/15/55/06/1258155506.db2.gz DISXOGOJWQMYKK-QZSNDUKJSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532585 1258155511 /nfs/dbraw/zinc/15/55/11/1258155511.db2.gz DISXOGOJWQMYKK-QZSNDUKJSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532585 1258155516 /nfs/dbraw/zinc/15/55/16/1258155516.db2.gz DISXOGOJWQMYKK-QZSNDUKJSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001084532585 1258155518 /nfs/dbraw/zinc/15/55/18/1258155518.db2.gz DISXOGOJWQMYKK-QZSNDUKJSA-N 2 1 371.485 0.316 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084723305 1258267159 /nfs/dbraw/zinc/26/71/59/1258267159.db2.gz CDZGMXSMUGHXCM-FGTMMUONSA-N 2 1 356.470 0.783 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001084723305 1258267168 /nfs/dbraw/zinc/26/71/68/1258267168.db2.gz CDZGMXSMUGHXCM-FGTMMUONSA-N 2 1 356.470 0.783 20 0 FCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722506 1258267479 /nfs/dbraw/zinc/26/74/79/1258267479.db2.gz SHPBRJKJSHHPSV-SJLPKXTDSA-N 2 1 361.490 0.218 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722506 1258267481 /nfs/dbraw/zinc/26/74/81/1258267481.db2.gz SHPBRJKJSHHPSV-SJLPKXTDSA-N 2 1 361.490 0.218 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)cn1 ZINC001084745105 1258284469 /nfs/dbraw/zinc/28/44/69/1258284469.db2.gz IHMUEBMYKLUDFX-SJLPKXTDSA-N 2 1 361.490 0.564 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)cn1 ZINC001084745105 1258284475 /nfs/dbraw/zinc/28/44/75/1258284475.db2.gz IHMUEBMYKLUDFX-SJLPKXTDSA-N 2 1 361.490 0.564 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084851264 1258399827 /nfs/dbraw/zinc/39/98/27/1258399827.db2.gz UXGMKCHEMUYCTK-BZUAXINKSA-N 2 1 362.474 0.200 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084851264 1258399834 /nfs/dbraw/zinc/39/98/34/1258399834.db2.gz UXGMKCHEMUYCTK-BZUAXINKSA-N 2 1 362.474 0.200 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972095 1258484798 /nfs/dbraw/zinc/48/47/98/1258484798.db2.gz NVTPEXLVNRBBIJ-IKGGRYGDSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972095 1258484804 /nfs/dbraw/zinc/48/48/04/1258484804.db2.gz NVTPEXLVNRBBIJ-IKGGRYGDSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084972095 1258484807 /nfs/dbraw/zinc/48/48/07/1258484807.db2.gz NVTPEXLVNRBBIJ-IKGGRYGDSA-N 2 1 363.506 0.419 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21)N1CCC1 ZINC001084980483 1258493082 /nfs/dbraw/zinc/49/30/82/1258493082.db2.gz AXPJNDQZZZMIGT-SJORKVTESA-N 2 1 360.502 0.770 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21)N1CCC1 ZINC001084980483 1258493084 /nfs/dbraw/zinc/49/30/84/1258493084.db2.gz AXPJNDQZZZMIGT-SJORKVTESA-N 2 1 360.502 0.770 20 0 FCADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC001331306576 1266188448 /nfs/dbraw/zinc/18/84/48/1266188448.db2.gz WFOCDSPNOZYGRH-MAUKXSAKSA-N 2 1 374.485 0.578 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085093598 1258588653 /nfs/dbraw/zinc/58/86/53/1258588653.db2.gz MVCXBLQVMMMYAO-IKGGRYGDSA-N 2 1 358.490 0.784 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085093673 1258588719 /nfs/dbraw/zinc/58/87/19/1258588719.db2.gz TZBHJUYPYDZJKR-KURKYZTESA-N 2 1 362.518 0.921 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085196633 1258626649 /nfs/dbraw/zinc/62/66/49/1258626649.db2.gz IFPODYPEJTUXAU-BRWVUGGUSA-N 2 1 365.522 0.901 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001085204088 1258628824 /nfs/dbraw/zinc/62/88/24/1258628824.db2.gz UHGHMPUDSNUBFU-KBUPBQIOSA-N 2 1 364.494 0.993 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001085204088 1258628828 /nfs/dbraw/zinc/62/88/28/1258628828.db2.gz UHGHMPUDSNUBFU-KBUPBQIOSA-N 2 1 364.494 0.993 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)NC1CCCC1 ZINC001088201121 1258724777 /nfs/dbraw/zinc/72/47/77/1258724777.db2.gz LYJSUJATPKUDSO-SJORKVTESA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722055 1258818780 /nfs/dbraw/zinc/81/87/80/1258818780.db2.gz UZKUDKGIIUVSRW-HZPDHXFCSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782701 1258844631 /nfs/dbraw/zinc/84/46/31/1258844631.db2.gz WKLPIQUWMUBHBE-XNRPHZJLSA-N 2 1 369.425 0.437 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331432599 1266215343 /nfs/dbraw/zinc/21/53/43/1266215343.db2.gz SCQFLIXMNQCMLJ-QZTJIDSGSA-N 2 1 367.538 0.553 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331433017 1266215931 /nfs/dbraw/zinc/21/59/31/1266215931.db2.gz YGHHSUYIDCIQQC-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001100343679 1258908074 /nfs/dbraw/zinc/90/80/74/1258908074.db2.gz MSNPDECWTVWOOT-RKHAHWSXSA-N 2 1 366.506 0.106 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637438 1258920376 /nfs/dbraw/zinc/92/03/76/1258920376.db2.gz PQQIUYAQJZKLTD-HNBVOPMISA-N 2 1 367.534 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106581501 1258926337 /nfs/dbraw/zinc/92/63/37/1258926337.db2.gz FWLVSWFUEFIGDV-LTIDMASMSA-N 2 1 365.522 0.426 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)C2 ZINC001106667083 1258937238 /nfs/dbraw/zinc/93/72/38/1258937238.db2.gz HGPAMJNCTYNQKU-DJIMGWMZSA-N 2 1 364.490 0.447 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106910653 1258994111 /nfs/dbraw/zinc/99/41/11/1258994111.db2.gz IHUHUEYGBNWGCT-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986417 1259011576 /nfs/dbraw/zinc/01/15/76/1259011576.db2.gz NUERUDMNQQKAJO-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343278 1259057134 /nfs/dbraw/zinc/05/71/34/1259057134.db2.gz UMCVNKBUTPIIRX-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343278 1259057141 /nfs/dbraw/zinc/05/71/41/1259057141.db2.gz UMCVNKBUTPIIRX-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343278 1259057145 /nfs/dbraw/zinc/05/71/45/1259057145.db2.gz UMCVNKBUTPIIRX-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343278 1259057150 /nfs/dbraw/zinc/05/71/50/1259057150.db2.gz UMCVNKBUTPIIRX-GPMSIDNRSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C12CCC[NH+]1CCC2 ZINC001107462141 1259095598 /nfs/dbraw/zinc/09/55/98/1259095598.db2.gz VFJUPVUMFWXXCV-IEBWSBKVSA-N 2 1 365.518 0.985 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC001107530995 1259109142 /nfs/dbraw/zinc/10/91/42/1259109142.db2.gz XARQBVBSNDITNY-VQIMIIECSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCc2ccccc2)CC[N@H+]1C ZINC001127701535 1259184541 /nfs/dbraw/zinc/18/45/41/1259184541.db2.gz RVQBRBHKPYLLKC-ZWKOTPCHSA-N 2 1 360.502 0.781 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)CC[N@@H+]1C ZINC001127695710 1259185186 /nfs/dbraw/zinc/18/51/86/1259185186.db2.gz ULJOWYLYEWVZAJ-WCQYABFASA-N 2 1 361.450 0.005 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)CC[N@H+]1C ZINC001127695710 1259185203 /nfs/dbraw/zinc/18/52/03/1259185203.db2.gz ULJOWYLYEWVZAJ-WCQYABFASA-N 2 1 361.450 0.005 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052263 1259298960 /nfs/dbraw/zinc/29/89/60/1259298960.db2.gz AUAPMOHVQVFWEF-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1 ZINC001129048781 1259299316 /nfs/dbraw/zinc/29/93/16/1259299316.db2.gz JSXDNASINUFXDC-OAGGEKHMSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129090051 1259310394 /nfs/dbraw/zinc/31/03/94/1259310394.db2.gz SFVGVHNALXKLOJ-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129090051 1259310402 /nfs/dbraw/zinc/31/04/02/1259310402.db2.gz SFVGVHNALXKLOJ-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129090051 1259310408 /nfs/dbraw/zinc/31/04/08/1259310408.db2.gz SFVGVHNALXKLOJ-CVEARBPZSA-N 2 1 366.510 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129103236 1259315523 /nfs/dbraw/zinc/31/55/23/1259315523.db2.gz HVBLCXYEAZGLRB-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129103236 1259315532 /nfs/dbraw/zinc/31/55/32/1259315532.db2.gz HVBLCXYEAZGLRB-CVEARBPZSA-N 2 1 363.441 0.965 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537643 1259416515 /nfs/dbraw/zinc/41/65/15/1259416515.db2.gz SGKKRINWDPYMQA-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2ccccc2)nn1 ZINC001211669365 1259426304 /nfs/dbraw/zinc/42/63/04/1259426304.db2.gz WVPNGKHKTLRDDC-ZWKOTPCHSA-N 2 1 356.474 0.851 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211713383 1259427422 /nfs/dbraw/zinc/42/74/22/1259427422.db2.gz JMZDIMOUCZKKFX-GBESFXJTSA-N 2 1 363.502 0.920 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409393 1259493613 /nfs/dbraw/zinc/49/36/13/1259493613.db2.gz FIKSKQNOTGIRRF-KZNAEPCWSA-N 2 1 363.506 0.656 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409393 1259493616 /nfs/dbraw/zinc/49/36/16/1259493616.db2.gz FIKSKQNOTGIRRF-KZNAEPCWSA-N 2 1 363.506 0.656 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1OC)[NH+](C)C ZINC001212463240 1259516718 /nfs/dbraw/zinc/51/67/18/1259516718.db2.gz YESZCNOQMZSJEF-BRWVUGGUSA-N 2 1 361.446 0.878 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1OC)[NH+](C)C ZINC001212463240 1259516723 /nfs/dbraw/zinc/51/67/23/1259516723.db2.gz YESZCNOQMZSJEF-BRWVUGGUSA-N 2 1 361.446 0.878 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001212483888 1259521799 /nfs/dbraw/zinc/52/17/99/1259521799.db2.gz XHEAOFYKDJGDGF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001212483888 1259521803 /nfs/dbraw/zinc/52/18/03/1259521803.db2.gz XHEAOFYKDJGDGF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001212483888 1259521808 /nfs/dbraw/zinc/52/18/08/1259521808.db2.gz XHEAOFYKDJGDGF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495599 1259525626 /nfs/dbraw/zinc/52/56/26/1259525626.db2.gz KRHCVTFFWHPDOD-KBAYOESNSA-N 2 1 364.490 0.884 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216229598 1259537085 /nfs/dbraw/zinc/53/70/85/1259537085.db2.gz LONQEADMTKHGDN-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP O=C(C1CC[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)CC1)N1CCNCC1 ZINC001235297303 1259568556 /nfs/dbraw/zinc/56/85/56/1259568556.db2.gz HVRMGUSJNZBTGN-UHFFFAOYSA-N 2 1 371.529 0.740 20 0 FCADMP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@@H+](CCCC[NH3+])CC2 ZINC001235574450 1259577746 /nfs/dbraw/zinc/57/77/46/1259577746.db2.gz ITSIICKYZNSPAI-UHFFFAOYSA-N 2 1 362.474 0.844 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)O1 ZINC001235574214 1259577973 /nfs/dbraw/zinc/57/79/73/1259577973.db2.gz GLSZNBNKDKOGPB-XLNGHYISSA-N 2 1 363.458 0.815 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)O1 ZINC001235574214 1259577979 /nfs/dbraw/zinc/57/79/79/1259577979.db2.gz GLSZNBNKDKOGPB-XLNGHYISSA-N 2 1 363.458 0.815 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cc(OC)nc(OC)c3)C[C@H]1C2 ZINC001236035333 1259587603 /nfs/dbraw/zinc/58/76/03/1259587603.db2.gz BISGLGWHVGGWIX-GJRWTSMGSA-N 2 1 361.442 0.929 20 0 FCADMP C[NH+]1CCN(c2ccc(-c3ccc(C(=O)N4CC[NH2+]CC4)cc3)nn2)CC1 ZINC001240107470 1259626158 /nfs/dbraw/zinc/62/61/58/1259626158.db2.gz CDUKNVUPLDUVMZ-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245979572 1259642164 /nfs/dbraw/zinc/64/21/64/1259642164.db2.gz VUWOEIRAUURMPF-FZDIXFNVSA-N 2 1 369.456 0.944 20 0 FCADMP OC1(C[N@H+]2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)CC[NH2+]CC1 ZINC001246044695 1259646936 /nfs/dbraw/zinc/64/69/36/1259646936.db2.gz PRIPUALDGXGQIN-UHFFFAOYSA-N 2 1 363.506 0.472 20 0 FCADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001246480603 1259654965 /nfs/dbraw/zinc/65/49/65/1259654965.db2.gz GMQLJJLBNQQZPH-BGTYHANMSA-N 2 1 360.502 0.954 20 0 FCADMP COc1ccc(C(=O)N2CCC(N3CC[NH2+]C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246632379 1259655781 /nfs/dbraw/zinc/65/57/81/1259655781.db2.gz VBKCBQIVQWMCJZ-FQEVSTJZSA-N 2 1 358.486 0.937 20 0 FCADMP COC(=O)[C@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246582213 1259656887 /nfs/dbraw/zinc/65/68/87/1259656887.db2.gz VFNDEXJQHZVZLZ-YLFCFFPRSA-N 2 1 361.442 0.084 20 0 FCADMP COC(=O)[C@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1C(=O)c1ccccc1 ZINC001246582213 1259656896 /nfs/dbraw/zinc/65/68/96/1259656896.db2.gz VFNDEXJQHZVZLZ-YLFCFFPRSA-N 2 1 361.442 0.084 20 0 FCADMP COc1ccc(CN2CC[C@@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2=O)cc1 ZINC001246641963 1259658165 /nfs/dbraw/zinc/65/81/65/1259658165.db2.gz KHYAIRSWNSINAK-XLIONFOSSA-N 2 1 358.486 0.824 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246680346 1259658524 /nfs/dbraw/zinc/65/85/24/1259658524.db2.gz VVDCILSAQCHQHO-XJCMGKNESA-N 2 1 365.474 0.001 20 0 FCADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)C[NH2+]1 ZINC001246680346 1259658545 /nfs/dbraw/zinc/65/85/45/1259658545.db2.gz VVDCILSAQCHQHO-XJCMGKNESA-N 2 1 365.474 0.001 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](C3C[C@H]4CC(C(=O)OC)C[C@@H](C3)[NH2+]4)C[C@@H]2N1 ZINC001246670278 1259658565 /nfs/dbraw/zinc/65/85/65/1259658565.db2.gz PFIGJFBFGAQYGZ-SEAKSCPESA-N 2 1 365.474 0.284 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)CC1 ZINC001246680342 1259658967 /nfs/dbraw/zinc/65/89/67/1259658967.db2.gz VVAPBVCCTAFHIZ-SJORKVTESA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680577 1259659041 /nfs/dbraw/zinc/65/90/41/1259659041.db2.gz VWCCCTBEWMFVKD-XIRDDKMYSA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680577 1259659051 /nfs/dbraw/zinc/65/90/51/1259659051.db2.gz VWCCCTBEWMFVKD-XIRDDKMYSA-N 2 1 367.490 0.629 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335429978 1259661185 /nfs/dbraw/zinc/66/11/85/1259661185.db2.gz IUSBSWUNOIZGLF-JKSUJKDBSA-N 2 1 353.511 0.080 20 0 FCADMP O=C1[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246704533 1259663791 /nfs/dbraw/zinc/66/37/91/1259663791.db2.gz HMXHVMGDMDEYNC-CGTJXYLNSA-N 2 1 358.461 0.810 20 0 FCADMP Cc1cccc(CO[C@@H]2C[C@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)n1 ZINC001246709224 1259665287 /nfs/dbraw/zinc/66/52/87/1259665287.db2.gz QWQWXXLMCJTQPG-SLFFLAALSA-N 2 1 371.529 0.759 20 0 FCADMP O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246708087 1259666193 /nfs/dbraw/zinc/66/61/93/1259666193.db2.gz PHGZMNARHUCAFI-DZOHQFGASA-N 2 1 362.518 0.619 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335448859 1259667343 /nfs/dbraw/zinc/66/73/43/1259667343.db2.gz RBYXHUAYAKKKCY-QGZVFWFLSA-N 2 1 365.522 0.224 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001246718243 1259667686 /nfs/dbraw/zinc/66/76/86/1259667686.db2.gz HELSZAKQCCNQKM-MHORFTMASA-N 2 1 371.485 0.137 20 0 FCADMP CO[C@@H]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001246721560 1259667705 /nfs/dbraw/zinc/66/77/05/1259667705.db2.gz QPAOZXYXQPLACJ-VNTMZGSJSA-N 2 1 371.529 0.697 20 0 FCADMP COC(=O)c1cc2c(nc1N(C)C)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246722180 1259668421 /nfs/dbraw/zinc/66/84/21/1259668421.db2.gz PQTPETIGABBZOO-HNNXBMFYSA-N 2 1 373.501 0.429 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741003 1259675015 /nfs/dbraw/zinc/67/50/15/1259675015.db2.gz WRTPJQKQAUQXBI-YYAJDYIMSA-N 2 1 359.474 0.970 20 0 FCADMP O=C([C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12CCOCC2)N1CCCC1 ZINC001246745359 1259678424 /nfs/dbraw/zinc/67/84/24/1259678424.db2.gz HBXCHCPYGRGWIS-DLBZAZTESA-N 2 1 362.518 0.431 20 0 FCADMP c1cnc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756229 1259682158 /nfs/dbraw/zinc/68/21/58/1259682158.db2.gz MUQJVBUYKIKVMP-VQIMIIECSA-N 2 1 358.490 0.242 20 0 FCADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC2 ZINC001246924275 1259695869 /nfs/dbraw/zinc/69/58/69/1259695869.db2.gz HEVPQICNDLMKAL-KOHRHEQBSA-N 3 1 368.522 0.614 20 0 FCADMP CCOC(=O)[C@H]1CC12CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC2 ZINC001246924275 1259695877 /nfs/dbraw/zinc/69/58/77/1259695877.db2.gz HEVPQICNDLMKAL-KOHRHEQBSA-N 2 1 368.522 0.614 20 0 FCADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(CNC(=O)C[NH3+])n2)c1 ZINC001247626815 1259703660 /nfs/dbraw/zinc/70/36/60/1259703660.db2.gz VVGPWNZNTSFCRU-UHFFFAOYSA-N 2 1 354.370 0.699 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4CC[NH2+]C[C@H]4O)n3)c2)CC1 ZINC001247760965 1259704646 /nfs/dbraw/zinc/70/46/46/1259704646.db2.gz YGCIFFUBORYPCT-DLBZAZTESA-N 2 1 357.458 0.922 20 0 FCADMP C[N@H+]1C[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)OC2(CC[NH2+]CC2)C1 ZINC001247855103 1259707439 /nfs/dbraw/zinc/70/74/39/1259707439.db2.gz ATVKROHDXATRGZ-MRXNPFEDSA-N 3 1 370.457 0.903 20 0 FCADMP CN1C[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)OC2(CC[NH2+]CC2)C1 ZINC001247855103 1259707445 /nfs/dbraw/zinc/70/74/45/1259707445.db2.gz ATVKROHDXATRGZ-MRXNPFEDSA-N 2 1 370.457 0.903 20 0 FCADMP O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001251018273 1259730369 /nfs/dbraw/zinc/73/03/69/1259730369.db2.gz XLOMLYAFCVUZMR-AABGKKOBSA-N 2 1 360.502 0.528 20 0 FCADMP O[C@@H](CN1CCOCC1)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001251018273 1259730377 /nfs/dbraw/zinc/73/03/77/1259730377.db2.gz XLOMLYAFCVUZMR-AABGKKOBSA-N 2 1 360.502 0.528 20 0 FCADMP O[C@@H](CN1CCOCC1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001251018273 1259730382 /nfs/dbraw/zinc/73/03/82/1259730382.db2.gz XLOMLYAFCVUZMR-AABGKKOBSA-N 2 1 360.502 0.528 20 0 FCADMP O[C@@H](CN1CCOCC1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001251018273 1259730386 /nfs/dbraw/zinc/73/03/86/1259730386.db2.gz XLOMLYAFCVUZMR-AABGKKOBSA-N 2 1 360.502 0.528 20 0 FCADMP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001251063408 1259736013 /nfs/dbraw/zinc/73/60/13/1259736013.db2.gz RIAZUFCLNBWADL-KOHRHEQBSA-N 2 1 369.506 0.613 20 0 FCADMP CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001251063408 1259736014 /nfs/dbraw/zinc/73/60/14/1259736014.db2.gz RIAZUFCLNBWADL-KOHRHEQBSA-N 2 1 369.506 0.613 20 0 FCADMP COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252416565 1259785871 /nfs/dbraw/zinc/78/58/71/1259785871.db2.gz ZPXOLJCHVCTJJA-NSHGMRRFSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252416565 1259785878 /nfs/dbraw/zinc/78/58/78/1259785878.db2.gz ZPXOLJCHVCTJJA-NSHGMRRFSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252416565 1259785885 /nfs/dbraw/zinc/78/58/85/1259785885.db2.gz ZPXOLJCHVCTJJA-NSHGMRRFSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252416565 1259785889 /nfs/dbraw/zinc/78/58/89/1259785889.db2.gz ZPXOLJCHVCTJJA-NSHGMRRFSA-N 2 1 366.502 0.981 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001252416477 1259786108 /nfs/dbraw/zinc/78/61/08/1259786108.db2.gz YEZBTOHGMHZCJM-SJORKVTESA-N 2 1 363.458 0.671 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252921334 1259810748 /nfs/dbraw/zinc/81/07/48/1259810748.db2.gz ALANEJUYRRPDJX-SXLOBPIMSA-N 2 1 360.454 0.745 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252921334 1259810753 /nfs/dbraw/zinc/81/07/53/1259810753.db2.gz ALANEJUYRRPDJX-SXLOBPIMSA-N 2 1 360.454 0.745 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252921334 1259810758 /nfs/dbraw/zinc/81/07/58/1259810758.db2.gz ALANEJUYRRPDJX-SXLOBPIMSA-N 2 1 360.454 0.745 20 0 FCADMP COC(=O)[C@@]12COC[C@@H]1C[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252921334 1259810764 /nfs/dbraw/zinc/81/07/64/1259810764.db2.gz ALANEJUYRRPDJX-SXLOBPIMSA-N 2 1 360.454 0.745 20 0 FCADMP O=C1COC2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC001252931299 1259811943 /nfs/dbraw/zinc/81/19/43/1259811943.db2.gz JVFFDTCPTPHATQ-IBGZPJMESA-N 2 1 359.470 0.604 20 0 FCADMP O=C1COC2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC001252931299 1259811951 /nfs/dbraw/zinc/81/19/51/1259811951.db2.gz JVFFDTCPTPHATQ-IBGZPJMESA-N 2 1 359.470 0.604 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252925424 1259813190 /nfs/dbraw/zinc/81/31/90/1259813190.db2.gz KEHHAUYNIBRWDB-HLAWJBBLSA-N 2 1 373.497 0.850 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252925424 1259813195 /nfs/dbraw/zinc/81/31/95/1259813195.db2.gz KEHHAUYNIBRWDB-HLAWJBBLSA-N 2 1 373.497 0.850 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252925424 1259813197 /nfs/dbraw/zinc/81/31/97/1259813197.db2.gz KEHHAUYNIBRWDB-HLAWJBBLSA-N 2 1 373.497 0.850 20 0 FCADMP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252925424 1259813200 /nfs/dbraw/zinc/81/32/00/1259813200.db2.gz KEHHAUYNIBRWDB-HLAWJBBLSA-N 2 1 373.497 0.850 20 0 FCADMP COCC(=O)N[C@@H]1CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252934551 1259813311 /nfs/dbraw/zinc/81/33/11/1259813311.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N[C@@H]1CCC[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001252934551 1259813319 /nfs/dbraw/zinc/81/33/19/1259813319.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP COCC(=O)N[C@@H]1CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001252934551 1259813325 /nfs/dbraw/zinc/81/33/25/1259813325.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 1 361.486 0.850 20 0 FCADMP COC(=O)[C@@H](Cc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950850 1259814334 /nfs/dbraw/zinc/81/43/34/1259814334.db2.gz HIWMTPNKGLBBKD-MJGOQNOKSA-N 2 1 358.442 0.720 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185883 1259829107 /nfs/dbraw/zinc/82/91/07/1259829107.db2.gz JOKHSZRZNKALRT-HKUYNNGSSA-N 2 1 363.506 0.942 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185883 1259829113 /nfs/dbraw/zinc/82/91/13/1259829113.db2.gz JOKHSZRZNKALRT-HKUYNNGSSA-N 2 1 363.506 0.942 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186204 1259829718 /nfs/dbraw/zinc/82/97/18/1259829718.db2.gz MGKZTDGTFIXELX-HKUYNNGSSA-N 2 1 361.490 0.998 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001253186204 1259829726 /nfs/dbraw/zinc/82/97/26/1259829726.db2.gz MGKZTDGTFIXELX-HKUYNNGSSA-N 2 1 361.490 0.998 20 0 FCADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253388525 1259837930 /nfs/dbraw/zinc/83/79/30/1259837930.db2.gz KNNOIQDLLZNKPB-IAGOWNOFSA-N 2 1 365.518 0.862 20 0 FCADMP COC(=O)[C@H](CCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1)NC(=O)CNC(C)=O ZINC001254513861 1259888039 /nfs/dbraw/zinc/88/80/39/1259888039.db2.gz GPZRYKHWMBHGCE-CVEARBPZSA-N 2 1 370.494 0.025 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523724 1259889469 /nfs/dbraw/zinc/88/94/69/1259889469.db2.gz VPEYNPGPWYGZAK-YYIAUSFCSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523724 1259889473 /nfs/dbraw/zinc/88/94/73/1259889473.db2.gz VPEYNPGPWYGZAK-YYIAUSFCSA-N 2 1 361.490 0.866 20 0 FCADMP Cn1ccnc1C(=O)N[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523724 1259889481 /nfs/dbraw/zinc/88/94/81/1259889481.db2.gz VPEYNPGPWYGZAK-YYIAUSFCSA-N 2 1 361.490 0.866 20 0 FCADMP C[N@H+]1CC[C@H](N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426356 1259911407 /nfs/dbraw/zinc/91/14/07/1259911407.db2.gz COMBLCDGRLAJNL-UWWQBHOKSA-N 2 1 365.453 0.521 20 0 FCADMP CC(C)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)[C@H]1CC[N@@H+](C)C1 ZINC001255432011 1259913543 /nfs/dbraw/zinc/91/35/43/1259913543.db2.gz ODCPHWFKJLSIGI-INIZCTEOSA-N 2 1 374.533 0.920 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001335952403 1259916291 /nfs/dbraw/zinc/91/62/91/1259916291.db2.gz URCNADFGROPRCC-GOSISDBHSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001335952403 1259916300 /nfs/dbraw/zinc/91/63/00/1259916300.db2.gz URCNADFGROPRCC-GOSISDBHSA-N 2 1 374.485 0.331 20 0 FCADMP Cn1nnc2c1CCN([C@H]1CCC[N@@H+](C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001255490562 1259916545 /nfs/dbraw/zinc/91/65/45/1259916545.db2.gz UGXIINJBSLQNOC-WMZOPIPTSA-N 2 1 362.522 0.921 20 0 FCADMP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001256434882 1259952525 /nfs/dbraw/zinc/95/25/25/1259952525.db2.gz ODSFUEHWBMYLGQ-OALUTQOASA-N 2 1 366.550 0.973 20 0 FCADMP O=S1CCN(Cc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC001336047530 1259956745 /nfs/dbraw/zinc/95/67/45/1259956745.db2.gz FIVNGLPPEJLYQP-IBGZPJMESA-N 2 1 365.543 0.797 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001261381019 1260129747 /nfs/dbraw/zinc/12/97/47/1260129747.db2.gz WNWPAJFISVZWOE-OXJNMPFZSA-N 2 1 360.502 0.987 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261524291 1260154673 /nfs/dbraw/zinc/15/46/73/1260154673.db2.gz VOWFRZKXUQSABS-ARFHVFGLSA-N 2 1 363.462 0.053 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)[nH+]c1 ZINC001336625546 1260186990 /nfs/dbraw/zinc/18/69/90/1260186990.db2.gz BMZNLUYFKNQXNV-UHFFFAOYSA-N 2 1 359.474 0.910 20 0 FCADMP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001336908017 1260250848 /nfs/dbraw/zinc/25/08/48/1260250848.db2.gz MXIJPTQYVAOZSO-QFBILLFUSA-N 2 1 366.506 0.781 20 0 FCADMP CCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CC[NH2+]C1 ZINC001262060527 1260252449 /nfs/dbraw/zinc/25/24/49/1260252449.db2.gz CKUYAMSDKALJEF-ROUUACIJSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262071242 1260255638 /nfs/dbraw/zinc/25/56/38/1260255638.db2.gz UTVUDXOFAQTPLU-LEUOFYLZSA-N 2 1 358.486 0.724 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073501 1260256752 /nfs/dbraw/zinc/25/67/52/1260256752.db2.gz TXOPRHVHFPFIIZ-FGTMMUONSA-N 2 1 358.486 0.615 20 0 FCADMP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337016929 1260286310 /nfs/dbraw/zinc/28/63/10/1260286310.db2.gz YPWFVLBXYIBKEQ-IRXDYDNUSA-N 2 1 353.511 0.224 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001337084052 1260305960 /nfs/dbraw/zinc/30/59/60/1260305960.db2.gz GPVRYQUPVXEAKL-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001337084052 1260305972 /nfs/dbraw/zinc/30/59/72/1260305972.db2.gz GPVRYQUPVXEAKL-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337084052 1260305980 /nfs/dbraw/zinc/30/59/80/1260305980.db2.gz GPVRYQUPVXEAKL-ROUUACIJSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001337158633 1260324222 /nfs/dbraw/zinc/32/42/22/1260324222.db2.gz OVTUGDPAWPAGKQ-QGZVFWFLSA-N 2 1 353.507 0.793 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001262574697 1260330286 /nfs/dbraw/zinc/33/02/86/1260330286.db2.gz YLGCSOAYEKTRIS-IAGOWNOFSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2C[NH2+]1 ZINC001263103768 1260342449 /nfs/dbraw/zinc/34/24/49/1260342449.db2.gz LIUHYCNNBZDFTK-IIAWOOMASA-N 2 1 374.489 0.095 20 0 FCADMP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)CN3CC[NH+](C)CC3)CC2)C1 ZINC001272867679 1260519822 /nfs/dbraw/zinc/51/98/22/1260519822.db2.gz LPRGAHXNGVBLRH-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)CN3CC[NH+](C)CC3)CC2)C1 ZINC001272867679 1260519825 /nfs/dbraw/zinc/51/98/25/1260519825.db2.gz LPRGAHXNGVBLRH-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001272868890 1260520854 /nfs/dbraw/zinc/52/08/54/1260520854.db2.gz YNVYEYXXPQKCJB-HDICACEKSA-N 2 1 360.506 0.328 20 0 FCADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001272868890 1260520857 /nfs/dbraw/zinc/52/08/57/1260520857.db2.gz YNVYEYXXPQKCJB-HDICACEKSA-N 2 1 360.506 0.328 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001337953715 1260524601 /nfs/dbraw/zinc/52/46/01/1260524601.db2.gz OQNAGFNVBKQPDS-LJQANCHMSA-N 2 1 361.490 0.304 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273272596 1260644817 /nfs/dbraw/zinc/64/48/17/1260644817.db2.gz KWAFRPLUYMBNBM-SJORKVTESA-N 2 1 364.534 0.977 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273312069 1260655110 /nfs/dbraw/zinc/65/51/10/1260655110.db2.gz BUUWZGMANXLQBH-IRXDYDNUSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc(CCO)cc3)C2)OCC1=O ZINC001277918556 1260676575 /nfs/dbraw/zinc/67/65/75/1260676575.db2.gz ZZDWPTPLIJAFJM-FQEVSTJZSA-N 2 1 361.486 0.586 20 0 FCADMP CC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181392 1260685433 /nfs/dbraw/zinc/68/54/33/1260685433.db2.gz DXOZTGVHFLUNGV-QRVBRYPASA-N 2 1 364.534 0.977 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181392 1260685438 /nfs/dbraw/zinc/68/54/38/1260685438.db2.gz DXOZTGVHFLUNGV-QRVBRYPASA-N 2 1 364.534 0.977 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181392 1260685444 /nfs/dbraw/zinc/68/54/44/1260685444.db2.gz DXOZTGVHFLUNGV-QRVBRYPASA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001278183272 1260686548 /nfs/dbraw/zinc/68/65/48/1260686548.db2.gz JFRWVTIRKTWKBH-BBWFWOEESA-N 2 1 368.522 0.942 20 0 FCADMP C[NH+](C)CCN1CCC12C[NH+](C[C@H]1COCCN1C(=O)OC(C)(C)C)C2 ZINC001278184677 1260686844 /nfs/dbraw/zinc/68/68/44/1260686844.db2.gz XUPORXHYQOKIPK-INIZCTEOSA-N 2 1 368.522 0.944 20 0 FCADMP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cccnn4)CC3)[C@H]2C1 ZINC001279175367 1260797465 /nfs/dbraw/zinc/79/74/65/1260797465.db2.gz NXVSXKFRZMVGLQ-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cccnn4)CC3)[C@H]2C1 ZINC001279175367 1260797469 /nfs/dbraw/zinc/79/74/69/1260797469.db2.gz NXVSXKFRZMVGLQ-IRXDYDNUSA-N 2 1 358.490 0.051 20 0 FCADMP O=C1NC2(CC[NH+](Cc3ccc[nH]3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279176461 1260798949 /nfs/dbraw/zinc/79/89/49/1260798949.db2.gz IXCUZRKHSBHANL-IAGOWNOFSA-N 2 1 354.458 0.950 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc2c1OCO2 ZINC001279613728 1260898900 /nfs/dbraw/zinc/89/89/00/1260898900.db2.gz JHSLDUHWWZPXJE-QAPCUYQASA-N 2 1 363.458 0.871 20 0 FCADMP COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc2c1OCO2 ZINC001279613728 1260898905 /nfs/dbraw/zinc/89/89/05/1260898905.db2.gz JHSLDUHWWZPXJE-QAPCUYQASA-N 2 1 363.458 0.871 20 0 FCADMP COC(=O)c1cc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)cn1C ZINC001279710507 1260918719 /nfs/dbraw/zinc/91/87/19/1260918719.db2.gz WOOGUWDMBQJIKZ-UHFFFAOYSA-N 2 1 362.474 0.798 20 0 FCADMP Cc1cc(N2CC[N@@H+](CC(=O)N(C)C)C[C@]3(CCCC(=O)N3)C2)cc[nH+]1 ZINC001279788676 1260936154 /nfs/dbraw/zinc/93/61/54/1260936154.db2.gz YCHIMYLJPQVZJG-LJQANCHMSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1cc(N2CC[N@H+](CC(=O)N(C)C)C[C@]3(CCCC(=O)N3)C2)cc[nH+]1 ZINC001279788676 1260936156 /nfs/dbraw/zinc/93/61/56/1260936156.db2.gz YCHIMYLJPQVZJG-LJQANCHMSA-N 2 1 359.474 0.639 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2nccnc2N)CC3)CC1 ZINC001279870453 1260948339 /nfs/dbraw/zinc/94/83/39/1260948339.db2.gz GIPQMIAVOCNNTO-OAHLLOKOSA-N 2 1 358.490 0.871 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2COCCC23C[NH+](Cc2cn[nH]c2)C3)CC1 ZINC001279918955 1260962564 /nfs/dbraw/zinc/96/25/64/1260962564.db2.gz IXGZLPOLJJLXRX-QGZVFWFLSA-N 2 1 361.490 0.801 20 0 FCADMP Cn1c[nH+]cc1N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280121211 1261009306 /nfs/dbraw/zinc/00/93/06/1261009306.db2.gz XCUOOFKWVQNWOU-HOTGVXAUSA-N 2 1 354.458 0.965 20 0 FCADMP Cc1nc(CNC(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH+](C)CC4)C[C@H]23)no1 ZINC001280126233 1261010437 /nfs/dbraw/zinc/01/04/37/1261010437.db2.gz UMRLCEFADAPRRK-UONOGXRCSA-N 2 1 362.434 0.023 20 0 FCADMP O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2)N1CC(N2CC(F)C2)C1 ZINC001280135808 1261013681 /nfs/dbraw/zinc/01/36/81/1261013681.db2.gz QBJNIOWHPOGJOZ-HGKCTWBKSA-N 2 1 364.509 0.809 20 0 FCADMP O=C(C[C@H]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2O1)N1CC2(CC(O)C2)C1 ZINC001280135220 1261013807 /nfs/dbraw/zinc/01/38/07/1261013807.db2.gz KCZPNUNXOGKUCH-NXHRZFHOSA-N 2 1 363.502 0.449 20 0 FCADMP CC(C)NC(=O)N1C[C@@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280223149 1261039495 /nfs/dbraw/zinc/03/94/95/1261039495.db2.gz DECWFXHRXBGOSK-HOTGVXAUSA-N 2 1 365.522 0.569 20 0 FCADMP Cc1nc[nH]c1C[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280343908 1261060590 /nfs/dbraw/zinc/06/05/90/1261060590.db2.gz JRDANTHILYCBFN-MRXNPFEDSA-N 2 1 361.490 0.767 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001332510952 1266419706 /nfs/dbraw/zinc/41/97/06/1266419706.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 2 1 364.542 0.620 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001332510952 1266419710 /nfs/dbraw/zinc/41/97/10/1266419710.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 2 1 364.542 0.620 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001332510952 1266419714 /nfs/dbraw/zinc/41/97/14/1266419714.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 2 1 364.542 0.620 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001332510952 1266419717 /nfs/dbraw/zinc/41/97/17/1266419717.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 2 1 364.542 0.620 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001332510952 1266419729 /nfs/dbraw/zinc/41/97/29/1266419729.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 2 1 364.542 0.620 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC001345100945 1261634658 /nfs/dbraw/zinc/63/46/58/1261634658.db2.gz WQNXNDZGEDMYEV-AWEZNQCLSA-N 2 1 359.474 0.779 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC001345358671 1261684008 /nfs/dbraw/zinc/68/40/08/1261684008.db2.gz OTSQWFSHXBXMEA-UHFFFAOYSA-N 2 1 373.501 0.265 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580341637 1278137227 /nfs/dbraw/zinc/13/72/27/1278137227.db2.gz IBXCPDFBNCFCKX-DGCLKSJQSA-N 2 1 363.491 0.816 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332546 1262922472 /nfs/dbraw/zinc/92/24/72/1262922472.db2.gz PPEBKZINAHYFBL-TWMKSMIVSA-N 2 1 366.481 0.574 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332546 1262922473 /nfs/dbraw/zinc/92/24/73/1262922473.db2.gz PPEBKZINAHYFBL-TWMKSMIVSA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332546 1262922475 /nfs/dbraw/zinc/92/24/75/1262922475.db2.gz PPEBKZINAHYFBL-TWMKSMIVSA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332546 1262922476 /nfs/dbraw/zinc/92/24/76/1262922476.db2.gz PPEBKZINAHYFBL-TWMKSMIVSA-N 2 1 366.481 0.574 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC001476679462 1263070958 /nfs/dbraw/zinc/07/09/58/1263070958.db2.gz KPDBPKQWSQCGKD-UHFFFAOYSA-N 2 1 365.482 0.119 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179175 1263176619 /nfs/dbraw/zinc/17/66/19/1263176619.db2.gz UWFVBYINQCBVQX-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179175 1263176623 /nfs/dbraw/zinc/17/66/23/1263176623.db2.gz UWFVBYINQCBVQX-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC001479179175 1263176626 /nfs/dbraw/zinc/17/66/26/1263176626.db2.gz UWFVBYINQCBVQX-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580376835 1278189559 /nfs/dbraw/zinc/18/95/59/1278189559.db2.gz JDCTXKYGUQISRY-IPYPFGDCSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580376835 1278189560 /nfs/dbraw/zinc/18/95/60/1278189560.db2.gz JDCTXKYGUQISRY-IPYPFGDCSA-N 2 1 370.461 0.687 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312142003 1263273552 /nfs/dbraw/zinc/27/35/52/1263273552.db2.gz VSVFVRFJWNHQFH-QGZVFWFLSA-N 2 1 367.538 0.912 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316754899 1263459846 /nfs/dbraw/zinc/45/98/46/1263459846.db2.gz AMNJZCRWHXYEFD-SJORKVTESA-N 2 1 364.534 0.881 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001484955163 1263493327 /nfs/dbraw/zinc/49/33/27/1263493327.db2.gz SPLUKLUYKZGYAP-UMVBOHGHSA-N 2 1 365.478 0.722 20 0 FCADMP Cc1nnc([C@@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001484955163 1263493337 /nfs/dbraw/zinc/49/33/37/1263493337.db2.gz SPLUKLUYKZGYAP-UMVBOHGHSA-N 2 1 365.478 0.722 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385494 1278202930 /nfs/dbraw/zinc/20/29/30/1278202930.db2.gz MDQCOZYXXZFHCR-FRRDWIJNSA-N 2 1 356.434 0.037 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001580385839 1278204586 /nfs/dbraw/zinc/20/45/86/1278204586.db2.gz WPBTWZUNLJJIQS-XOKHGSTOSA-N 2 1 369.473 0.897 20 0 FCADMP C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC001319601398 1263712706 /nfs/dbraw/zinc/71/27/06/1263712706.db2.gz KMCIAAHYNNNRLR-IBGZPJMESA-N 2 1 357.502 0.445 20 0 FCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cc1 ZINC001320600693 1263824394 /nfs/dbraw/zinc/82/43/94/1263824394.db2.gz DWCQLXSNAMAZFN-UHFFFAOYSA-N 2 1 373.457 0.503 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC001496098849 1263856689 /nfs/dbraw/zinc/85/66/89/1263856689.db2.gz WHYKWZDWZRUPIL-RHSMWYFYSA-N 2 1 370.457 0.796 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1C ZINC001496098849 1263856698 /nfs/dbraw/zinc/85/66/98/1263856698.db2.gz WHYKWZDWZRUPIL-RHSMWYFYSA-N 2 1 370.457 0.796 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@@H+](C)CC1 ZINC001320921454 1263882981 /nfs/dbraw/zinc/88/29/81/1263882981.db2.gz FJOSKMALVYUUGT-CQSZACIVSA-N 2 1 374.489 0.855 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)CC[N@H+]1C ZINC001496978512 1263907455 /nfs/dbraw/zinc/90/74/55/1263907455.db2.gz FGDUXVNYEGGSGA-FHLIZLRMSA-N 2 1 363.506 0.905 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001321344930 1263939968 /nfs/dbraw/zinc/93/99/68/1263939968.db2.gz XQIXCIZJMIJYOQ-HZPDHXFCSA-N 2 1 362.474 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CCC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001498194060 1263965709 /nfs/dbraw/zinc/96/57/09/1263965709.db2.gz HPKDLJQZXXQGIO-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001321772611 1264056795 /nfs/dbraw/zinc/05/67/95/1264056795.db2.gz PNKQLATUFADVEW-DOTOQJQBSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001321960555 1264111480 /nfs/dbraw/zinc/11/14/80/1264111480.db2.gz XSLGKQHUIWUYGC-KBPBESRZSA-N 2 1 360.462 0.901 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001322042327 1264136023 /nfs/dbraw/zinc/13/60/23/1264136023.db2.gz YRTNWZUUWVDVOK-CQSZACIVSA-N 2 1 356.430 0.585 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506084446 1264290065 /nfs/dbraw/zinc/29/00/65/1264290065.db2.gz QWGCRWMSKBNROR-RBSFLKMASA-N 2 1 356.486 0.772 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322958161 1264302241 /nfs/dbraw/zinc/30/22/41/1264302241.db2.gz OQLGDSYQCBKQGC-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322958161 1264302250 /nfs/dbraw/zinc/30/22/50/1264302250.db2.gz OQLGDSYQCBKQGC-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001512851997 1264693946 /nfs/dbraw/zinc/69/39/46/1264693946.db2.gz CENAJQBIBWKEAS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001512851997 1264693951 /nfs/dbraw/zinc/69/39/51/1264693951.db2.gz CENAJQBIBWKEAS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001512851997 1264693962 /nfs/dbraw/zinc/69/39/62/1264693962.db2.gz CENAJQBIBWKEAS-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001326036683 1265049531 /nfs/dbraw/zinc/04/95/31/1265049531.db2.gz TWUVOPIBOZBWGO-FGTMMUONSA-N 2 1 362.518 0.921 20 0 FCADMP Cc1c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)nnn1C1CC[NH2+]CC1 ZINC001326052044 1265053471 /nfs/dbraw/zinc/05/34/71/1265053471.db2.gz JVWZPBWBOUJAEY-OAHLLOKOSA-N 2 1 362.478 0.305 20 0 FCADMP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580407223 1278243422 /nfs/dbraw/zinc/24/34/22/1278243422.db2.gz IUGVCSKNOKOJNA-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001326591865 1265138198 /nfs/dbraw/zinc/13/81/98/1265138198.db2.gz PCYKJLAZWNDGHH-GVDBMIGSSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001327182764 1265247754 /nfs/dbraw/zinc/24/77/54/1265247754.db2.gz ZXVKBTISYZVILN-LJQANCHMSA-N 2 1 358.486 0.469 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001327318471 1265284351 /nfs/dbraw/zinc/28/43/51/1265284351.db2.gz IAQTZBSUIZLYKA-UHFFFAOYSA-N 2 1 367.538 0.121 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001327465929 1265332178 /nfs/dbraw/zinc/33/21/78/1265332178.db2.gz RNIXEJJKFNRMSK-DLBZAZTESA-N 2 1 367.538 0.118 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC001327470232 1265332583 /nfs/dbraw/zinc/33/25/83/1265332583.db2.gz KWGOQXGPLWIRRV-KDURUIRLSA-N 2 1 357.502 0.795 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(C)(O)CC3)C2)CC1 ZINC001332743978 1266471384 /nfs/dbraw/zinc/47/13/84/1266471384.db2.gz IQLIUXJUVPYPFW-HVEKOLDVSA-N 2 1 366.506 0.081 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC001332979934 1266515671 /nfs/dbraw/zinc/51/56/71/1266515671.db2.gz FWUWRZOWGASKFO-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC001332979934 1266515684 /nfs/dbraw/zinc/51/56/84/1266515684.db2.gz FWUWRZOWGASKFO-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC001332979934 1266515687 /nfs/dbraw/zinc/51/56/87/1266515687.db2.gz FWUWRZOWGASKFO-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC001332979934 1266515700 /nfs/dbraw/zinc/51/57/00/1266515700.db2.gz FWUWRZOWGASKFO-QZTJIDSGSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001333437971 1266602900 /nfs/dbraw/zinc/60/29/00/1266602900.db2.gz HPDWSNYFHXRNEQ-KSZLIROESA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001333437971 1266602912 /nfs/dbraw/zinc/60/29/12/1266602912.db2.gz HPDWSNYFHXRNEQ-KSZLIROESA-N 2 1 358.486 0.963 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)C1 ZINC001333635450 1266659194 /nfs/dbraw/zinc/65/91/94/1266659194.db2.gz HZKDIUPUDZRYFU-MRXNPFEDSA-N 2 1 361.494 0.055 20 0 FCADMP CC(C)(Cn1nnnc1N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC001334015856 1266778861 /nfs/dbraw/zinc/77/88/61/1266778861.db2.gz DIPREJUWUGVEJI-UHFFFAOYSA-N 2 1 365.526 0.831 20 0 FCADMP C[N@@H+](CCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC001334216001 1266892156 /nfs/dbraw/zinc/89/21/56/1266892156.db2.gz TUWZJSWGNKQXBJ-QGZVFWFLSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001334313100 1266942298 /nfs/dbraw/zinc/94/22/98/1266942298.db2.gz FLXLWQUOLLQLSL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+]1CCN(c2nnnn2CCCN2CCOCC2)CC12CCCCC2 ZINC001334460909 1267014760 /nfs/dbraw/zinc/01/47/60/1267014760.db2.gz FGJHFISVOODTLG-UHFFFAOYSA-N 2 1 363.510 0.850 20 0 FCADMP C[N@H+]1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC12CCCCC2 ZINC001334460909 1267014778 /nfs/dbraw/zinc/01/47/78/1267014778.db2.gz FGJHFISVOODTLG-UHFFFAOYSA-N 2 1 363.510 0.850 20 0 FCADMP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001532773873 1267186491 /nfs/dbraw/zinc/18/64/91/1267186491.db2.gz BZMITPGTORLZKF-DJIMGWMZSA-N 2 1 352.523 0.925 20 0 FCADMP C[N@@H+]1C[C@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC001549008548 1267788590 /nfs/dbraw/zinc/78/85/90/1267788590.db2.gz SPNHXZBTPRFPDU-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1C[C@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC001549008548 1267788594 /nfs/dbraw/zinc/78/85/94/1267788594.db2.gz SPNHXZBTPRFPDU-IAGOWNOFSA-N 2 1 366.506 0.603 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001549033429 1267792609 /nfs/dbraw/zinc/79/26/09/1267792609.db2.gz IZSSTQWKISBBKR-KZNAEPCWSA-N 2 1 363.506 0.810 20 0 FCADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114110 1267813695 /nfs/dbraw/zinc/81/36/95/1267813695.db2.gz BHFWGFNJDGYHAF-VQIMIIECSA-N 2 1 358.490 0.576 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117814 1267814318 /nfs/dbraw/zinc/81/43/18/1267814318.db2.gz VBSQWCIFLBQIIV-GPMSIDNRSA-N 2 1 358.490 0.575 20 0 FCADMP CC1([NH+]2CCOCC2)CCN(C(=O)NCc2cnn3c2C[NH2+]CC3)CC1 ZINC001549740772 1267985115 /nfs/dbraw/zinc/98/51/15/1267985115.db2.gz NCCLAUDWIGQZHN-UHFFFAOYSA-N 2 1 362.478 0.383 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001549764335 1267997828 /nfs/dbraw/zinc/99/78/28/1267997828.db2.gz WUBQHSIYRFTAOE-UAGQMJEPSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001549764335 1267997838 /nfs/dbraw/zinc/99/78/38/1267997838.db2.gz WUBQHSIYRFTAOE-UAGQMJEPSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001549764335 1267997842 /nfs/dbraw/zinc/99/78/42/1267997842.db2.gz WUBQHSIYRFTAOE-UAGQMJEPSA-N 2 1 361.490 0.807 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001549764335 1267997847 /nfs/dbraw/zinc/99/78/47/1267997847.db2.gz WUBQHSIYRFTAOE-UAGQMJEPSA-N 2 1 361.490 0.807 20 0 FCADMP O=C(NCCC1(O)CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338607142 1268002227 /nfs/dbraw/zinc/00/22/27/1268002227.db2.gz DKQFJJWCQQIKLP-CALCHBBNSA-N 2 1 366.506 0.528 20 0 FCADMP CCN1CCC([N@H+]2CCCN(c3nnc(-c4ncnn4C)n3C)CC2)CC1 ZINC001338661234 1268029076 /nfs/dbraw/zinc/02/90/76/1268029076.db2.gz KMVMESHQTRLXML-UHFFFAOYSA-N 2 1 373.509 0.607 20 0 FCADMP CC[NH+]1CCC(N2CCCN(c3nnc(-c4ncnn4C)n3C)CC2)CC1 ZINC001338661234 1268029083 /nfs/dbraw/zinc/02/90/83/1268029083.db2.gz KMVMESHQTRLXML-UHFFFAOYSA-N 2 1 373.509 0.607 20 0 FCADMP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(-c4ncnn4C)n3C)CC2)CC1 ZINC001338661234 1268029097 /nfs/dbraw/zinc/02/90/97/1268029097.db2.gz KMVMESHQTRLXML-UHFFFAOYSA-N 2 1 373.509 0.607 20 0 FCADMP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(-c4ncnn4C)n3C)CC2)CC1 ZINC001338661234 1268029111 /nfs/dbraw/zinc/02/91/11/1268029111.db2.gz KMVMESHQTRLXML-UHFFFAOYSA-N 2 1 373.509 0.607 20 0 FCADMP COC[C@]1(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCC[NH2+]1 ZINC001550069257 1268068859 /nfs/dbraw/zinc/06/88/59/1268068859.db2.gz POUOBKNGWXYXOX-FCEWJHQRSA-N 2 1 351.491 0.905 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001550101995 1268072669 /nfs/dbraw/zinc/07/26/69/1268072669.db2.gz LZFRVQHIHAYXHT-NLWGTHIKSA-N 2 1 359.470 0.548 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001550101995 1268072675 /nfs/dbraw/zinc/07/26/75/1268072675.db2.gz LZFRVQHIHAYXHT-NLWGTHIKSA-N 2 1 359.470 0.548 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC001550093980 1268073903 /nfs/dbraw/zinc/07/39/03/1268073903.db2.gz DDWRUVLNYDRPRD-SJORKVTESA-N 2 1 355.446 0.570 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC001550093980 1268073912 /nfs/dbraw/zinc/07/39/12/1268073912.db2.gz DDWRUVLNYDRPRD-SJORKVTESA-N 2 1 355.446 0.570 20 0 FCADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC001550132283 1268080346 /nfs/dbraw/zinc/08/03/46/1268080346.db2.gz GBJIMHHSYFHBCO-YLJYHZDGSA-N 2 1 371.485 0.686 20 0 FCADMP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC001550285440 1268104445 /nfs/dbraw/zinc/10/44/45/1268104445.db2.gz NZOJWHYFNDPQFM-DLBZAZTESA-N 2 1 365.522 0.176 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC001550366233 1268108290 /nfs/dbraw/zinc/10/82/90/1268108290.db2.gz ORSDWBYVCXIXKM-ZMSDIMECSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC001550366233 1268108294 /nfs/dbraw/zinc/10/82/94/1268108294.db2.gz ORSDWBYVCXIXKM-ZMSDIMECSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC001550366233 1268108295 /nfs/dbraw/zinc/10/82/95/1268108295.db2.gz ORSDWBYVCXIXKM-ZMSDIMECSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC001550366233 1268108299 /nfs/dbraw/zinc/10/82/99/1268108299.db2.gz ORSDWBYVCXIXKM-ZMSDIMECSA-N 2 1 361.490 0.665 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486174 1268127881 /nfs/dbraw/zinc/12/78/81/1268127881.db2.gz KENYMCKZBHEERW-LERJKICOSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486174 1268127883 /nfs/dbraw/zinc/12/78/83/1268127883.db2.gz KENYMCKZBHEERW-LERJKICOSA-N 2 1 365.518 0.836 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486174 1268127885 /nfs/dbraw/zinc/12/78/85/1268127885.db2.gz KENYMCKZBHEERW-LERJKICOSA-N 2 1 365.518 0.836 20 0 FCADMP C[C@H]1C[NH2+]CC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730298 1268157494 /nfs/dbraw/zinc/15/74/94/1268157494.db2.gz FCLZOWYZNGKBLD-HOTGVXAUSA-N 2 1 354.495 0.413 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC001550730759 1268157977 /nfs/dbraw/zinc/15/79/77/1268157977.db2.gz IKECPOVXCVZMOT-HZPDHXFCSA-N 2 1 352.479 0.261 20 0 FCADMP [NH3+]C1CCN(CCNC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001550739587 1268159110 /nfs/dbraw/zinc/15/91/10/1268159110.db2.gz CGKDDUAVGONXTH-SJORKVTESA-N 2 1 365.522 0.352 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@@H](C)O1 ZINC001550980930 1268189763 /nfs/dbraw/zinc/18/97/63/1268189763.db2.gz UQGHPVLKAMRPQZ-JFIYKMOQSA-N 2 1 368.522 0.990 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@@H](C)O1 ZINC001550980930 1268189767 /nfs/dbraw/zinc/18/97/67/1268189767.db2.gz UQGHPVLKAMRPQZ-JFIYKMOQSA-N 2 1 368.522 0.990 20 0 FCADMP CC(=O)NCC1CC[NH+](CC(O)C[NH+]2CCC(CNC(C)=O)CC2)CC1 ZINC001339266806 1268199015 /nfs/dbraw/zinc/19/90/15/1268199015.db2.gz VLEALXJTIQLDEF-UHFFFAOYSA-N 2 1 368.522 0.044 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551160323 1268210916 /nfs/dbraw/zinc/21/09/16/1268210916.db2.gz WGGNNDZFZBBGTP-UHFFFAOYSA-N 2 1 352.523 0.630 20 0 FCADMP C[N@H+]1C[C@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229798 1268215353 /nfs/dbraw/zinc/21/53/53/1268215353.db2.gz RUTBSVIRKXDVAA-INDMIFKZSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229798 1268215365 /nfs/dbraw/zinc/21/53/65/1268215365.db2.gz RUTBSVIRKXDVAA-INDMIFKZSA-N 2 1 358.486 0.792 20 0 FCADMP C[NH+]1C[C@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229798 1268215369 /nfs/dbraw/zinc/21/53/69/1268215369.db2.gz RUTBSVIRKXDVAA-INDMIFKZSA-N 2 1 358.486 0.792 20 0 FCADMP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC001551274933 1268219302 /nfs/dbraw/zinc/21/93/02/1268219302.db2.gz QPDYHUIFDMQOLR-UPTPFMHGSA-N 2 1 354.495 0.386 20 0 FCADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464317 1268256611 /nfs/dbraw/zinc/25/66/11/1268256611.db2.gz NVQMCESNRYRHSG-OAGGEKHMSA-N 2 1 354.495 0.242 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464320 1268256706 /nfs/dbraw/zinc/25/67/06/1268256706.db2.gz NVQMCESNRYRHSG-OWCLPIDISA-N 2 1 354.495 0.242 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464161 1268256899 /nfs/dbraw/zinc/25/68/99/1268256899.db2.gz CADGOOJMOOGVLN-HZPDHXFCSA-N 2 1 354.495 0.555 20 0 FCADMP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001551492939 1268261218 /nfs/dbraw/zinc/26/12/18/1268261218.db2.gz YWHILBQXCROBIN-UMHPPVOVSA-N 2 1 360.458 0.607 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)CC[C@@H]21 ZINC001551556019 1268267587 /nfs/dbraw/zinc/26/75/87/1268267587.db2.gz QWRANLBMFDSEPN-XLMAVXFVSA-N 2 1 363.506 0.369 20 0 FCADMP CC1(C)CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CC[N@H+]1CCO ZINC001551555414 1268267655 /nfs/dbraw/zinc/26/76/55/1268267655.db2.gz XOGZDNLFSSOPAV-GJZGRUSLSA-N 2 1 364.412 0.627 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560941 1268271262 /nfs/dbraw/zinc/27/12/62/1268271262.db2.gz IRJSCIYHMAFVQE-AYBZRNKSSA-N 2 1 363.506 0.370 20 0 FCADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551573475 1268274181 /nfs/dbraw/zinc/27/41/81/1268274181.db2.gz WPEXEXJTEZOHMR-YQQAZPJKSA-N 2 1 351.495 0.417 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551580542 1268277721 /nfs/dbraw/zinc/27/77/21/1268277721.db2.gz QBDRYKGTAVDSQO-BFYDXBDKSA-N 2 1 351.495 0.369 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551580564 1268277863 /nfs/dbraw/zinc/27/78/63/1268277863.db2.gz QBDRYKGTAVDSQO-VYDXJSESSA-N 2 1 351.495 0.369 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551583726 1268278891 /nfs/dbraw/zinc/27/88/91/1268278891.db2.gz WMPXLXOZVPZMDW-LZLYRXPVSA-N 2 1 365.522 0.757 20 0 FCADMP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001551593006 1268280484 /nfs/dbraw/zinc/28/04/84/1268280484.db2.gz NUFCXDDIXDMMBH-SOLBZPMBSA-N 2 1 363.506 0.513 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551592764 1268281147 /nfs/dbraw/zinc/28/11/47/1268281147.db2.gz MTRLFOZGINLESX-JJAZEVLHSA-N 2 1 351.495 0.415 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)C1 ZINC001551595385 1268282231 /nfs/dbraw/zinc/28/22/31/1268282231.db2.gz UBPWZYIDSDBQHS-VIHIWDAPSA-N 2 1 365.522 0.303 20 0 FCADMP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cnn1C ZINC001552090305 1268370211 /nfs/dbraw/zinc/37/02/11/1268370211.db2.gz OOZFJVJWTQMUEN-IAGOWNOFSA-N 2 1 371.489 0.550 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001552095577 1268372554 /nfs/dbraw/zinc/37/25/54/1268372554.db2.gz IDJKPEZGVHNRMF-IKGGRYGDSA-N 2 1 364.494 0.213 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552100172 1268374573 /nfs/dbraw/zinc/37/45/73/1268374573.db2.gz UXIMSOMOHXXKSQ-GVDBMIGSSA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552100172 1268374579 /nfs/dbraw/zinc/37/45/79/1268374579.db2.gz UXIMSOMOHXXKSQ-GVDBMIGSSA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552100172 1268374590 /nfs/dbraw/zinc/37/45/90/1268374590.db2.gz UXIMSOMOHXXKSQ-GVDBMIGSSA-N 2 1 367.538 0.299 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]Cc3ccccc32)nn1 ZINC001552162511 1268396733 /nfs/dbraw/zinc/39/67/33/1268396733.db2.gz APKIZDBUIUSPFA-RHSMWYFYSA-N 2 1 356.430 0.116 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)nn1 ZINC001552167551 1268400095 /nfs/dbraw/zinc/40/00/95/1268400095.db2.gz NWPDVSJGFUESPO-KCYZZUKISA-N 2 1 362.478 0.065 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CCO1 ZINC001552201317 1268408624 /nfs/dbraw/zinc/40/86/24/1268408624.db2.gz LGVIHNKADOBUSZ-XFQXTVEOSA-N 2 1 359.470 0.760 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CCO1 ZINC001552201317 1268408626 /nfs/dbraw/zinc/40/86/26/1268408626.db2.gz LGVIHNKADOBUSZ-XFQXTVEOSA-N 2 1 359.470 0.760 20 0 FCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552204019 1268409261 /nfs/dbraw/zinc/40/92/61/1268409261.db2.gz WHZJAAANPXYRKZ-XLIONFOSSA-N 2 1 372.469 0.525 20 0 FCADMP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203368 1268409627 /nfs/dbraw/zinc/40/96/27/1268409627.db2.gz BAKMQMNZYFOORX-UZLBHIALSA-N 2 1 373.501 0.819 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)(N2CCCCC2)CC1 ZINC001552202971 1268409761 /nfs/dbraw/zinc/40/97/61/1268409761.db2.gz UBJQLIUNZRNEPS-VQIMIIECSA-N 2 1 350.507 0.289 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001552210550 1268411452 /nfs/dbraw/zinc/41/14/52/1268411452.db2.gz DZOARXXRRVZOQR-ZVPUSRDESA-N 2 1 363.506 0.645 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001552210550 1268411456 /nfs/dbraw/zinc/41/14/56/1268411456.db2.gz DZOARXXRRVZOQR-ZVPUSRDESA-N 2 1 363.506 0.645 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001552263783 1268426612 /nfs/dbraw/zinc/42/66/12/1268426612.db2.gz FJIXDWIPPSXMEJ-ROUUACIJSA-N 2 1 358.486 0.564 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001552263783 1268426615 /nfs/dbraw/zinc/42/66/15/1268426615.db2.gz FJIXDWIPPSXMEJ-ROUUACIJSA-N 2 1 358.486 0.564 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC([N@@H+]4CC[C@H](O)C4)C3)cc21 ZINC001552263022 1268427252 /nfs/dbraw/zinc/42/72/52/1268427252.db2.gz GPKRCWYKQKTGOT-HNNXBMFYSA-N 2 1 373.457 0.195 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC([N@H+]4CC[C@H](O)C4)C3)cc21 ZINC001552263022 1268427254 /nfs/dbraw/zinc/42/72/54/1268427254.db2.gz GPKRCWYKQKTGOT-HNNXBMFYSA-N 2 1 373.457 0.195 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001340122019 1268443208 /nfs/dbraw/zinc/44/32/08/1268443208.db2.gz QLBDBFQDKDWRNA-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[C@H]1Cn2nc(C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)cc2C[NH2+]1 ZINC001340178565 1268460969 /nfs/dbraw/zinc/46/09/69/1268460969.db2.gz BOQFDKYQQQVNQC-HNNXBMFYSA-N 2 1 360.506 0.474 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001552601421 1268485555 /nfs/dbraw/zinc/48/55/55/1268485555.db2.gz CFXPOGOGRUJLLP-VQHPVUNQSA-N 2 1 363.510 0.895 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001340334039 1268512730 /nfs/dbraw/zinc/51/27/30/1268512730.db2.gz PVKXJFQBDNDLEF-GWCFXTLKSA-N 2 1 358.236 0.562 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC001552697776 1268524327 /nfs/dbraw/zinc/52/43/27/1268524327.db2.gz UYVCATZBOUDGDV-UHFFFAOYSA-N 2 1 362.478 0.159 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707913 1268528291 /nfs/dbraw/zinc/52/82/91/1268528291.db2.gz ICFZNWCOLJWRMB-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707913 1268528301 /nfs/dbraw/zinc/52/83/01/1268528301.db2.gz ICFZNWCOLJWRMB-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC001552707913 1268528311 /nfs/dbraw/zinc/52/83/11/1268528311.db2.gz ICFZNWCOLJWRMB-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)n1 ZINC001552707913 1268528317 /nfs/dbraw/zinc/52/83/17/1268528317.db2.gz ICFZNWCOLJWRMB-BRWVUGGUSA-N 2 1 361.490 0.686 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC001552711478 1268530917 /nfs/dbraw/zinc/53/09/17/1268530917.db2.gz UWQLEEYITYXGQP-PVAVHDDUSA-N 2 1 363.506 0.789 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC001552711478 1268530924 /nfs/dbraw/zinc/53/09/24/1268530924.db2.gz UWQLEEYITYXGQP-PVAVHDDUSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC001552711478 1268530927 /nfs/dbraw/zinc/53/09/27/1268530927.db2.gz UWQLEEYITYXGQP-PVAVHDDUSA-N 2 1 363.506 0.789 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC001552711478 1268530933 /nfs/dbraw/zinc/53/09/33/1268530933.db2.gz UWQLEEYITYXGQP-PVAVHDDUSA-N 2 1 363.506 0.789 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCCOCC2)C1 ZINC001552808670 1268552502 /nfs/dbraw/zinc/55/25/02/1268552502.db2.gz YZLRVOJLCJMSOV-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC001552808670 1268552505 /nfs/dbraw/zinc/55/25/05/1268552505.db2.gz YZLRVOJLCJMSOV-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001552808670 1268552510 /nfs/dbraw/zinc/55/25/10/1268552510.db2.gz YZLRVOJLCJMSOV-KZNAEPCWSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)ccn1 ZINC001552890669 1268563630 /nfs/dbraw/zinc/56/36/30/1268563630.db2.gz UGJJOINTYZQIHU-CVEARBPZSA-N 2 1 358.450 0.754 20 0 FCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C[C@@H](C)O1 ZINC001552995356 1268574820 /nfs/dbraw/zinc/57/48/20/1268574820.db2.gz RUTFRQNUACVAPF-IAGOWNOFSA-N 2 1 366.550 0.828 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)C2 ZINC001552996210 1268575165 /nfs/dbraw/zinc/57/51/65/1268575165.db2.gz GGPCYSCWHFRSKU-QSUVVDIXSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001552996210 1268575172 /nfs/dbraw/zinc/57/51/72/1268575172.db2.gz GGPCYSCWHFRSKU-QSUVVDIXSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001552996210 1268575182 /nfs/dbraw/zinc/57/51/82/1268575182.db2.gz GGPCYSCWHFRSKU-QSUVVDIXSA-N 2 1 367.538 0.011 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000769 1268576216 /nfs/dbraw/zinc/57/62/16/1268576216.db2.gz FGGFFNVSPBKSGQ-PITCONLNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001553000769 1268576222 /nfs/dbraw/zinc/57/62/22/1268576222.db2.gz FGGFFNVSPBKSGQ-PITCONLNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[C@@H](O)C2 ZINC001553000769 1268576231 /nfs/dbraw/zinc/57/62/31/1268576231.db2.gz FGGFFNVSPBKSGQ-PITCONLNSA-N 2 1 368.522 0.484 20 0 FCADMP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[C@@H](O)C2 ZINC001553000769 1268576235 /nfs/dbraw/zinc/57/62/35/1268576235.db2.gz FGGFFNVSPBKSGQ-PITCONLNSA-N 2 1 368.522 0.484 20 0 FCADMP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376640 1268640470 /nfs/dbraw/zinc/64/04/70/1268640470.db2.gz XELFAZCZVBFEHX-JOQOYGCGSA-N 2 1 365.499 0.809 20 0 FCADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC001553376639 1268640719 /nfs/dbraw/zinc/64/07/19/1268640719.db2.gz XELFAZCZVBFEHX-JCKWVBRZSA-N 2 1 365.499 0.809 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384820 1268640835 /nfs/dbraw/zinc/64/08/35/1268640835.db2.gz XELXSJSRDSZNMS-HNAYVOBHSA-N 2 1 360.458 0.542 20 0 FCADMP Cc1ccc(C(=O)NCCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cc1F ZINC001553383218 1268641142 /nfs/dbraw/zinc/64/11/42/1268641142.db2.gz LENPLDVSWDRVRV-BEFAXECRSA-N 2 1 362.449 0.521 20 0 FCADMP Cc1ccc(C(=O)NCCNC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cc1F ZINC001553383221 1268641380 /nfs/dbraw/zinc/64/13/80/1268641380.db2.gz LENPLDVSWDRVRV-KXBFYZLASA-N 2 1 362.449 0.521 20 0 FCADMP CN(C)C(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)cc1 ZINC001553389361 1268641886 /nfs/dbraw/zinc/64/18/86/1268641886.db2.gz LDWOULWLYAGOHP-KUHUBIRLSA-N 2 1 360.458 0.633 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)C[NH2+]C[C@H]2C1 ZINC001553386894 1268642336 /nfs/dbraw/zinc/64/23/36/1268642336.db2.gz WLIYGQUSJOCVHH-WMLDXEAASA-N 2 1 351.472 0.248 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C[NH2+]C[C@@H]2C1 ZINC001553399742 1268644047 /nfs/dbraw/zinc/64/40/47/1268644047.db2.gz TVDLNVNUEBFQMM-QGHHPUGFSA-N 2 1 370.375 0.700 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553405797 1268646159 /nfs/dbraw/zinc/64/61/59/1268646159.db2.gz DPHCKEKDUZJSEI-HSALFYBXSA-N 2 1 372.513 0.960 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553424738 1268648378 /nfs/dbraw/zinc/64/83/78/1268648378.db2.gz ZUHBIDJJNZBTDA-CVEARBPZSA-N 2 1 354.495 0.411 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])c1 ZINC001553426751 1268648550 /nfs/dbraw/zinc/64/85/50/1268648550.db2.gz MODWYFRFPDLLSS-QZTJIDSGSA-N 2 1 368.485 0.915 20 0 FCADMP O=C(N[C@@H]1CCc2ncnn2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553459584 1268654497 /nfs/dbraw/zinc/65/44/97/1268654497.db2.gz WEHGWTWAWQKRDV-BMFZPTHFSA-N 2 1 359.478 0.203 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N3NC(=O)C[C@]34CC[NH2+]C4)CC2)cs1 ZINC001340780208 1268654800 /nfs/dbraw/zinc/65/48/00/1268654800.db2.gz QKKUGFHERWNHPP-KRWDZBQOSA-N 2 1 363.487 0.659 20 0 FCADMP [NH3+]C[C@@]1(C2CCOCC2)CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001553490763 1268658703 /nfs/dbraw/zinc/65/87/03/1268658703.db2.gz YXGKAAGYSRHTLW-SFHVURJKSA-N 2 1 354.495 0.496 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)C1 ZINC001340844995 1268678580 /nfs/dbraw/zinc/67/85/80/1268678580.db2.gz PLVQREVIUUBHKE-GUDVDZBRSA-N 2 1 372.513 0.768 20 0 FCADMP COCC[N@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001555523230 1268786004 /nfs/dbraw/zinc/78/60/04/1268786004.db2.gz AQUUKYFONDWFKQ-KRWDZBQOSA-N 2 1 366.510 0.466 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001555523230 1268786009 /nfs/dbraw/zinc/78/60/09/1268786009.db2.gz AQUUKYFONDWFKQ-KRWDZBQOSA-N 2 1 366.510 0.466 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001341303158 1268928384 /nfs/dbraw/zinc/92/83/84/1268928384.db2.gz PJLWTTYPKPLQHB-BRWVUGGUSA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001341389857 1268968589 /nfs/dbraw/zinc/96/85/89/1268968589.db2.gz XKVJHUBRJNHIBN-ZIFCJYIRSA-N 2 1 355.523 0.501 20 0 FCADMP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)CC1 ZINC001341394475 1268972445 /nfs/dbraw/zinc/97/24/45/1268972445.db2.gz YUXGVPMSTRXUHC-JCYILVPMSA-N 2 1 350.507 0.966 20 0 FCADMP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)CC2)CC1 ZINC001341394475 1268972449 /nfs/dbraw/zinc/97/24/49/1268972449.db2.gz YUXGVPMSTRXUHC-JCYILVPMSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001559915734 1269181079 /nfs/dbraw/zinc/18/10/79/1269181079.db2.gz YQPAMAWNECTYSM-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001559915734 1269181085 /nfs/dbraw/zinc/18/10/85/1269181085.db2.gz YQPAMAWNECTYSM-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001559915734 1269181090 /nfs/dbraw/zinc/18/10/90/1269181090.db2.gz YQPAMAWNECTYSM-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001559915734 1269181093 /nfs/dbraw/zinc/18/10/93/1269181093.db2.gz YQPAMAWNECTYSM-NXWXRZEISA-N 2 1 361.486 0.441 20 0 FCADMP [NH3+]Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001342341422 1269435135 /nfs/dbraw/zinc/43/51/35/1269435135.db2.gz VPPFLVLVAOFCJI-KRWDZBQOSA-N 2 1 360.458 0.797 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001565464215 1269474772 /nfs/dbraw/zinc/47/47/72/1269474772.db2.gz ZGOHWTIOXSYZCD-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1O ZINC001343726215 1269992104 /nfs/dbraw/zinc/99/21/04/1269992104.db2.gz OTMYKYRRLHIYNM-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1O ZINC001343726215 1269992109 /nfs/dbraw/zinc/99/21/09/1269992109.db2.gz OTMYKYRRLHIYNM-CABCVRRESA-N 2 1 365.478 0.036 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001573067001 1270588568 /nfs/dbraw/zinc/58/85/68/1270588568.db2.gz LBVUZSGAPKHOHY-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573974533 1270968001 /nfs/dbraw/zinc/96/80/01/1270968001.db2.gz OPQNMLYLEZFGGL-CJNGLKHVSA-N 2 1 372.477 0.885 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574252451 1271121771 /nfs/dbraw/zinc/12/17/71/1271121771.db2.gz HTHANJNIIXADNP-MRXNPFEDSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CCCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574577177 1271375455 /nfs/dbraw/zinc/37/54/55/1271375455.db2.gz QBKYEZJVHYOJEN-XJKSGUPXSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596458 1271397038 /nfs/dbraw/zinc/39/70/38/1271397038.db2.gz KDJJNHXZOQQYTF-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574596458 1271397042 /nfs/dbraw/zinc/39/70/42/1271397042.db2.gz KDJJNHXZOQQYTF-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574596084 1271398011 /nfs/dbraw/zinc/39/80/11/1271398011.db2.gz HVTDGTFZHVVAGB-CZUORRHYSA-N 2 1 357.462 0.803 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574673123 1271476950 /nfs/dbraw/zinc/47/69/50/1271476950.db2.gz ZGYDMMMOQUKRRA-BBRMVZONSA-N 2 1 372.477 0.863 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875657 1271630120 /nfs/dbraw/zinc/63/01/20/1271630120.db2.gz YAIJBYNNLBBTRV-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875657 1271630129 /nfs/dbraw/zinc/63/01/29/1271630129.db2.gz YAIJBYNNLBBTRV-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875657 1271630135 /nfs/dbraw/zinc/63/01/35/1271630135.db2.gz YAIJBYNNLBBTRV-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886300 1271644145 /nfs/dbraw/zinc/64/41/45/1271644145.db2.gz MRRPINKTSWOPCN-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886300 1271644151 /nfs/dbraw/zinc/64/41/51/1271644151.db2.gz MRRPINKTSWOPCN-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886300 1271644163 /nfs/dbraw/zinc/64/41/63/1271644163.db2.gz MRRPINKTSWOPCN-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574886300 1271644171 /nfs/dbraw/zinc/64/41/71/1271644171.db2.gz MRRPINKTSWOPCN-XJKSGUPXSA-N 2 1 373.461 0.134 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](C[C@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198943 1271782202 /nfs/dbraw/zinc/78/22/02/1271782202.db2.gz UEATZRIUUUKVJV-ZWKOTPCHSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](C[C@]3(O)CCC[NH2+]C3)C2)C1 ZINC001575198943 1271782207 /nfs/dbraw/zinc/78/22/07/1271782207.db2.gz UEATZRIUUUKVJV-ZWKOTPCHSA-N 2 1 355.479 0.813 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419872 1272074732 /nfs/dbraw/zinc/07/47/32/1272074732.db2.gz FVWZVEUAQKSYFF-CVEARBPZSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419872 1272074744 /nfs/dbraw/zinc/07/47/44/1272074744.db2.gz FVWZVEUAQKSYFF-CVEARBPZSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419872 1272074758 /nfs/dbraw/zinc/07/47/58/1272074758.db2.gz FVWZVEUAQKSYFF-CVEARBPZSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001575682489 1272294632 /nfs/dbraw/zinc/29/46/32/1272294632.db2.gz PWDWMODDFHIRCE-KSSFIOAISA-N 2 1 361.494 0.392 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001575699681 1272321687 /nfs/dbraw/zinc/32/16/87/1272321687.db2.gz JLVUAGJAWZBHHH-QGZVFWFLSA-N 2 1 352.523 0.677 20 0 FCADMP CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC(C)(C)[NH3+] ZINC001575713179 1272353250 /nfs/dbraw/zinc/35/32/50/1272353250.db2.gz SQMNNDDVIICEBY-UONOGXRCSA-N 2 1 363.510 0.827 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCC[N@@H+](C)C(C)C ZINC001575716763 1272359365 /nfs/dbraw/zinc/35/93/65/1272359365.db2.gz UBZQSJDGSRYQKS-CQSZACIVSA-N 2 1 351.499 0.684 20 0 FCADMP CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001575716548 1272360237 /nfs/dbraw/zinc/36/02/37/1272360237.db2.gz QHZBISQNYSCQPP-AWEZNQCLSA-N 2 1 372.477 0.285 20 0 FCADMP CC(C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001575879909 1272545732 /nfs/dbraw/zinc/54/57/32/1272545732.db2.gz PZDKZOJTGOIUCT-OAHLLOKOSA-N 2 1 365.526 0.739 20 0 FCADMP C[C@H](C[NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001575995853 1272667794 /nfs/dbraw/zinc/66/77/94/1272667794.db2.gz GARNEADLQVGZFI-ILXRZTDVSA-N 2 1 361.494 0.499 20 0 FCADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576132747 1272933158 /nfs/dbraw/zinc/93/31/58/1272933158.db2.gz UNTRVQXBNBINSA-OLZOCXBDSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708453 1273580221 /nfs/dbraw/zinc/58/02/21/1273580221.db2.gz DPUGLCGBRWGSSB-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC001576708453 1273580227 /nfs/dbraw/zinc/58/02/27/1273580227.db2.gz DPUGLCGBRWGSSB-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCc3cn[nH]n3)C2)cn1 ZINC001576750169 1273620222 /nfs/dbraw/zinc/62/02/22/1273620222.db2.gz NSDZHWDGERXOIG-OAHLLOKOSA-N 2 1 374.493 0.247 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[C@@H]2CC[N@H+](CCc3c[nH]nn3)C2)cn1 ZINC001576750169 1273620239 /nfs/dbraw/zinc/62/02/39/1273620239.db2.gz NSDZHWDGERXOIG-OAHLLOKOSA-N 2 1 374.493 0.247 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCc3c[nH]nn3)C2)cn1 ZINC001576750169 1273620245 /nfs/dbraw/zinc/62/02/45/1273620245.db2.gz NSDZHWDGERXOIG-OAHLLOKOSA-N 2 1 374.493 0.247 20 0 FCADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789382 1273681682 /nfs/dbraw/zinc/68/16/82/1273681682.db2.gz GENLPVQZHQIVER-HZPDHXFCSA-N 2 1 357.462 0.945 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796301 1273699702 /nfs/dbraw/zinc/69/97/02/1273699702.db2.gz OEGGUSZIVZCQJX-CVEARBPZSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576796301 1273699709 /nfs/dbraw/zinc/69/97/09/1273699709.db2.gz OEGGUSZIVZCQJX-CVEARBPZSA-N 2 1 373.461 0.182 20 0 FCADMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576805587 1273714544 /nfs/dbraw/zinc/71/45/44/1273714544.db2.gz IQSFXAQSDZWPFH-UONOGXRCSA-N 2 1 372.477 0.641 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC001576823237 1273745718 /nfs/dbraw/zinc/74/57/18/1273745718.db2.gz BFBSMBAZTBHIJS-HZPDHXFCSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC001576823237 1273745722 /nfs/dbraw/zinc/74/57/22/1273745722.db2.gz BFBSMBAZTBHIJS-HZPDHXFCSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001576855734 1273808474 /nfs/dbraw/zinc/80/84/74/1273808474.db2.gz WESWBYPQNIAODN-CQSZACIVSA-N 2 1 350.467 0.342 20 0 FCADMP O=C(NCc1cn(C2C[NH2+]C2)nn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001580727693 1278817686 /nfs/dbraw/zinc/81/76/86/1278817686.db2.gz YRSOYUMVBRNTAW-OAHLLOKOSA-N 2 1 355.446 0.496 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001576996790 1274029312 /nfs/dbraw/zinc/02/93/12/1274029312.db2.gz XDSHVMVJUNNBMM-YHUYYLMFSA-N 2 1 364.494 0.994 20 0 FCADMP CC[C@H](CO)[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001577090556 1274149645 /nfs/dbraw/zinc/14/96/45/1274149645.db2.gz STEQRZUPZWITBC-CABCVRRESA-N 2 1 350.467 0.121 20 0 FCADMP CC[C@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001577149734 1274200221 /nfs/dbraw/zinc/20/02/21/1274200221.db2.gz YRZUYSQSXLZHIK-RRFJBIMHSA-N 2 1 350.467 0.388 20 0 FCADMP CC[C@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001577149734 1274200227 /nfs/dbraw/zinc/20/02/27/1274200227.db2.gz YRZUYSQSXLZHIK-RRFJBIMHSA-N 2 1 350.467 0.388 20 0 FCADMP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@H]1[NH3+] ZINC001577296456 1274313030 /nfs/dbraw/zinc/31/30/30/1274313030.db2.gz PFWIQODYGQNWIP-MDZRGWNJSA-N 2 1 362.522 0.861 20 0 FCADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577444687 1274411690 /nfs/dbraw/zinc/41/16/90/1274411690.db2.gz CSJWELUECAPGKZ-DEYYWGMASA-N 2 1 361.494 0.499 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH3+])C1 ZINC001577499481 1274456378 /nfs/dbraw/zinc/45/63/78/1274456378.db2.gz MLFKYRSCETXHTC-QLFBSQMISA-N 2 1 363.510 0.745 20 0 FCADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H]([NH3+])C2)C1 ZINC001577530637 1274474060 /nfs/dbraw/zinc/47/40/60/1274474060.db2.gz MJMSYCVQWWDWOJ-GDBMZVCRSA-N 2 1 358.494 0.948 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577555087 1274497652 /nfs/dbraw/zinc/49/76/52/1274497652.db2.gz XQZCGDLDNUEXBJ-DZGCQCFKSA-N 2 1 372.477 0.735 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577558207 1274502072 /nfs/dbraw/zinc/50/20/72/1274502072.db2.gz DAVOTQZGXOUKPV-GFCCVEGCSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577559165 1274503543 /nfs/dbraw/zinc/50/35/43/1274503543.db2.gz STYVMIZMLKHFTC-GOSISDBHSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577565116 1274520489 /nfs/dbraw/zinc/52/04/89/1274520489.db2.gz IWQXWMDLAFNEID-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577565457 1274522348 /nfs/dbraw/zinc/52/23/48/1274522348.db2.gz XTKZYQBBIUNZLS-IUODEOHRSA-N 2 1 372.477 0.853 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577565408 1274522407 /nfs/dbraw/zinc/52/24/07/1274522407.db2.gz UMBCMTIOVFQQFT-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577565408 1274522410 /nfs/dbraw/zinc/52/24/10/1274522410.db2.gz UMBCMTIOVFQQFT-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001577565408 1274522417 /nfs/dbraw/zinc/52/24/17/1274522417.db2.gz UMBCMTIOVFQQFT-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577571160 1274532904 /nfs/dbraw/zinc/53/29/04/1274532904.db2.gz VYGLQIPDSSLMAG-UHFFFAOYSA-N 2 1 372.477 0.951 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570917 1274534402 /nfs/dbraw/zinc/53/44/02/1274534402.db2.gz MIJAYWMPMWUHHL-AWEZNQCLSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665011 1274682019 /nfs/dbraw/zinc/68/20/19/1274682019.db2.gz LBYREARZQIUKGH-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577666257 1274684643 /nfs/dbraw/zinc/68/46/43/1274684643.db2.gz YCNGBNOKMRWOPB-CQSZACIVSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577666320 1274686502 /nfs/dbraw/zinc/68/65/02/1274686502.db2.gz ZHHWERNOFIRLTQ-XJKSGUPXSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668840 1274694856 /nfs/dbraw/zinc/69/48/56/1274694856.db2.gz NPNMXXUHPWWOFY-BBRMVZONSA-N 2 1 372.477 0.783 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577670615 1274700039 /nfs/dbraw/zinc/70/00/39/1274700039.db2.gz XIHHNKCLJGQFQP-CJNGLKHVSA-N 2 1 370.461 0.571 20 0 FCADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577759520 1274840593 /nfs/dbraw/zinc/84/05/93/1274840593.db2.gz GZBAQKLTONMWRY-RDBSUJKOSA-N 2 1 351.499 0.682 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577770196 1274856855 /nfs/dbraw/zinc/85/68/55/1274856855.db2.gz BYXHKZLFEVQMJJ-CABCVRRESA-N 2 1 361.494 0.422 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577856279 1275010131 /nfs/dbraw/zinc/01/01/31/1275010131.db2.gz VQTHXQLJCIMJMB-AWEZNQCLSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001577860204 1275022919 /nfs/dbraw/zinc/02/29/19/1275022919.db2.gz SYOHSUWEQKUKHF-HNNXBMFYSA-N 2 1 374.493 0.968 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862726 1275031840 /nfs/dbraw/zinc/03/18/40/1275031840.db2.gz JIHSDOBJIXXBBY-ZIAGYGMSSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577862647 1275032021 /nfs/dbraw/zinc/03/20/21/1275032021.db2.gz HOHBLJNHXBSEIK-GFCCVEGCSA-N 2 1 363.441 0.942 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866123 1275043367 /nfs/dbraw/zinc/04/33/67/1275043367.db2.gz AJQZGZOKQAHCCU-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866123 1275043373 /nfs/dbraw/zinc/04/33/73/1275043373.db2.gz AJQZGZOKQAHCCU-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866123 1275043380 /nfs/dbraw/zinc/04/33/80/1275043380.db2.gz AJQZGZOKQAHCCU-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577866893 1275045825 /nfs/dbraw/zinc/04/58/25/1275045825.db2.gz OMPQCZXOYFGODM-UHFFFAOYSA-N 2 1 358.450 0.332 20 0 FCADMP CC[NH2+]CCn1c(COCC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001577871839 1275060221 /nfs/dbraw/zinc/06/02/21/1275060221.db2.gz MGYOPVCTKSBFAL-SFHVURJKSA-N 2 1 366.510 0.725 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577871671 1275060297 /nfs/dbraw/zinc/06/02/97/1275060297.db2.gz NEYXPPUNCIXAAG-GASCZTMLSA-N 2 1 357.462 0.945 20 0 FCADMP CC[N@@H+](CCNC(=O)Cc1cncn1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578029796 1275304038 /nfs/dbraw/zinc/30/40/38/1275304038.db2.gz RIUJDAABFXRWQW-UHFFFAOYSA-N 2 1 374.474 0.843 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C3(O)C[NH2+]C3)CCC2)[C@@H](C)C1 ZINC001578108083 1275411309 /nfs/dbraw/zinc/41/13/09/1275411309.db2.gz NVBJXFFNXJZZGJ-JKSUJKDBSA-N 2 1 353.507 0.744 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001578110007 1275412763 /nfs/dbraw/zinc/41/27/63/1275412763.db2.gz RIKGMGBLONTVLX-INIZCTEOSA-N 2 1 372.477 0.737 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001578138706 1275437939 /nfs/dbraw/zinc/43/79/39/1275437939.db2.gz ISALGOJXACZMRT-KBPBESRZSA-N 2 1 372.477 0.674 20 0 FCADMP CC[S@](=O)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001578215777 1275510121 /nfs/dbraw/zinc/51/01/21/1275510121.db2.gz ZEJMBDJAMSQYMY-AYNSBQOLSA-N 2 1 368.551 0.782 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219760 1275517534 /nfs/dbraw/zinc/51/75/34/1275517534.db2.gz QCMHMJVILZFFIH-BBRMVZONSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578223635 1275521147 /nfs/dbraw/zinc/52/11/47/1275521147.db2.gz CFPBGVIBSIJZMF-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578223635 1275521153 /nfs/dbraw/zinc/52/11/53/1275521153.db2.gz CFPBGVIBSIJZMF-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224547 1275523968 /nfs/dbraw/zinc/52/39/68/1275523968.db2.gz OTBFVZBWFCAZQZ-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224547 1275523976 /nfs/dbraw/zinc/52/39/76/1275523976.db2.gz OTBFVZBWFCAZQZ-XJKSGUPXSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578315630 1275655261 /nfs/dbraw/zinc/65/52/61/1275655261.db2.gz VBFLAHHMIPHYHK-DLBZAZTESA-N 2 1 363.554 0.912 20 0 FCADMP CCc1nnc(N2CC[C@@H]([NH2+]C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001578314869 1275655877 /nfs/dbraw/zinc/65/58/77/1275655877.db2.gz FGGMVNDDUNEXCT-DLBZAZTESA-N 2 1 363.554 0.912 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001578417019 1275786223 /nfs/dbraw/zinc/78/62/23/1275786223.db2.gz LNCSQBPUAGIMQJ-HNNXBMFYSA-N 2 1 351.499 0.158 20 0 FCADMP CN(CCCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)CC[NH+](C)C ZINC001578417019 1275786227 /nfs/dbraw/zinc/78/62/27/1275786227.db2.gz LNCSQBPUAGIMQJ-HNNXBMFYSA-N 2 1 351.499 0.158 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578457406 1275857731 /nfs/dbraw/zinc/85/77/31/1275857731.db2.gz UAKUVCDVJLOMSE-VHDGCEQUSA-N 2 1 370.461 0.687 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578457406 1275857743 /nfs/dbraw/zinc/85/77/43/1275857743.db2.gz UAKUVCDVJLOMSE-VHDGCEQUSA-N 2 1 370.461 0.687 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525902 1275959016 /nfs/dbraw/zinc/95/90/16/1275959016.db2.gz TWPKSAUGXIUNDW-QAPCUYQASA-N 2 1 364.494 0.038 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529714 1275960774 /nfs/dbraw/zinc/96/07/74/1275960774.db2.gz YLQVBRYLCSUBQA-SOUVJXGZSA-N 2 1 350.463 0.550 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC001578532862 1275962779 /nfs/dbraw/zinc/96/27/79/1275962779.db2.gz ZTEKCBWMPGEMBX-UHFFFAOYSA-N 2 1 357.458 0.415 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@H](c2ccccc2)C1 ZINC001578533724 1275965015 /nfs/dbraw/zinc/96/50/15/1275965015.db2.gz VARBOEQAHJZERC-SVFBPWRDSA-N 2 1 372.513 0.717 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@H](c2ccccc2)C1 ZINC001578533724 1275965018 /nfs/dbraw/zinc/96/50/18/1275965018.db2.gz VARBOEQAHJZERC-SVFBPWRDSA-N 2 1 372.513 0.717 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@H](c2ccccc2)C1 ZINC001578533724 1275965019 /nfs/dbraw/zinc/96/50/19/1275965019.db2.gz VARBOEQAHJZERC-SVFBPWRDSA-N 2 1 372.513 0.717 20 0 FCADMP CNC(=O)CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CCn1cc[nH+]c1C ZINC001578553848 1275981491 /nfs/dbraw/zinc/98/14/91/1275981491.db2.gz ZFECZPRGIQFAIP-HNNXBMFYSA-N 2 1 374.493 0.523 20 0 FCADMP C[NH2+][C@H](C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578576850 1276009972 /nfs/dbraw/zinc/00/99/72/1276009972.db2.gz RJSNUTUHFIZSRM-OAHLLOKOSA-N 2 1 359.478 0.716 20 0 FCADMP C[NH2+][C@@H](C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578576848 1276010379 /nfs/dbraw/zinc/01/03/79/1276010379.db2.gz RJSNUTUHFIZSRM-HNNXBMFYSA-N 2 1 359.478 0.716 20 0 FCADMP C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001578647729 1276099151 /nfs/dbraw/zinc/09/91/51/1276099151.db2.gz UDYOBTGRDLRDRD-HOTGVXAUSA-N 2 1 350.463 0.491 20 0 FCADMP C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001578647729 1276099159 /nfs/dbraw/zinc/09/91/59/1276099159.db2.gz UDYOBTGRDLRDRD-HOTGVXAUSA-N 2 1 350.463 0.491 20 0 FCADMP O=C(c1nnc(N2CC[NH2+]CC2)n1CC[N@@H+]1CC=CCC1)N1CCCC1 ZINC001580834418 1279010476 /nfs/dbraw/zinc/01/04/76/1279010476.db2.gz YIYKKJYLUIIUPR-UHFFFAOYSA-N 2 1 359.478 0.186 20 0 FCADMP C[NH2+]CCn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001578722261 1276195226 /nfs/dbraw/zinc/19/52/26/1276195226.db2.gz XXLFMAHXLWOSHE-GASCZTMLSA-N 2 1 374.493 0.500 20 0 FCADMP C[NH2+]CCn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001578722261 1276195232 /nfs/dbraw/zinc/19/52/32/1276195232.db2.gz XXLFMAHXLWOSHE-GASCZTMLSA-N 2 1 374.493 0.500 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001578730987 1276206601 /nfs/dbraw/zinc/20/66/01/1276206601.db2.gz GIPZRZNPPKFDGN-ARFHVFGLSA-N 2 1 364.494 0.506 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H](C)C1 ZINC001578807198 1276298457 /nfs/dbraw/zinc/29/84/57/1276298457.db2.gz CXDUZPZEUYMZIZ-FZMZJTMJSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H](C)C1 ZINC001578807198 1276298458 /nfs/dbraw/zinc/29/84/58/1276298458.db2.gz CXDUZPZEUYMZIZ-FZMZJTMJSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001578841490 1276360332 /nfs/dbraw/zinc/36/03/32/1276360332.db2.gz GJFGTIBPAKRECN-JTOWHCCKSA-N 2 1 352.479 0.640 20 0 FCADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC001578855159 1276377842 /nfs/dbraw/zinc/37/78/42/1276377842.db2.gz BIEFCMDCMQFPAT-OCCSQVGLSA-N 2 1 350.419 0.541 20 0 FCADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC001578855159 1276377846 /nfs/dbraw/zinc/37/78/46/1276377846.db2.gz BIEFCMDCMQFPAT-OCCSQVGLSA-N 2 1 350.419 0.541 20 0 FCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578971883 1276517951 /nfs/dbraw/zinc/51/79/51/1276517951.db2.gz LJIAWXKRDOYNNS-ZDUSSCGKSA-N 2 1 370.461 0.689 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578974951 1276524293 /nfs/dbraw/zinc/52/42/93/1276524293.db2.gz YGBCOZQEMGNHHK-CALCHBBNSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578975629 1276526557 /nfs/dbraw/zinc/52/65/57/1276526557.db2.gz CCRLXUZZJJNMHN-SFHVURJKSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578978635 1276535780 /nfs/dbraw/zinc/53/57/80/1276535780.db2.gz KVGQGKRXHTWHSI-CYBMUJFWSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001578978635 1276535787 /nfs/dbraw/zinc/53/57/87/1276535787.db2.gz KVGQGKRXHTWHSI-CYBMUJFWSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578980169 1276540443 /nfs/dbraw/zinc/54/04/43/1276540443.db2.gz CDPFVCHASFUEHI-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578990752 1276564054 /nfs/dbraw/zinc/56/40/54/1276564054.db2.gz IHGYAZUYIWBEFB-XPKDYRNWSA-N 2 1 370.461 0.829 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579005756 1276574085 /nfs/dbraw/zinc/57/40/85/1276574085.db2.gz CGMDUJNUUNDPAA-INIZCTEOSA-N 2 1 370.461 0.475 20 0 FCADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH3+])C[C@H]1C ZINC001579037574 1276620822 /nfs/dbraw/zinc/62/08/22/1276620822.db2.gz RWCXMLDMCWWSPZ-BZUAXINKSA-N 2 1 366.510 0.881 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169139 1276920008 /nfs/dbraw/zinc/92/00/08/1276920008.db2.gz MJKOBUPJDXZMIE-HNNXBMFYSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169139 1276920012 /nfs/dbraw/zinc/92/00/12/1276920012.db2.gz MJKOBUPJDXZMIE-HNNXBMFYSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579169139 1276920016 /nfs/dbraw/zinc/92/00/16/1276920016.db2.gz MJKOBUPJDXZMIE-HNNXBMFYSA-N 2 1 361.425 0.648 20 0 FCADMP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC001579194686 1276969414 /nfs/dbraw/zinc/96/94/14/1276969414.db2.gz ODVNGRQXTFUMSR-JKSUJKDBSA-N 2 1 357.476 0.206 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)cc1 ZINC001579213893 1277006955 /nfs/dbraw/zinc/00/69/55/1277006955.db2.gz ROLFBJKVOIKSOK-YLJYHZDGSA-N 2 1 359.470 0.966 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001579282499 1277100940 /nfs/dbraw/zinc/10/09/40/1277100940.db2.gz YCNPMGKDLBVOIK-CYBMUJFWSA-N 2 1 368.445 0.395 20 0 FCADMP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325255 1277142798 /nfs/dbraw/zinc/14/27/98/1277142798.db2.gz GFANYIZVDRFCHC-CYBMUJFWSA-N 2 1 358.450 0.498 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325958 1277149746 /nfs/dbraw/zinc/14/97/46/1277149746.db2.gz LTLLEUWMUUMSQI-KBPBESRZSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325964 1277150307 /nfs/dbraw/zinc/15/03/07/1277150307.db2.gz LTLLEUWMUUMSQI-ZIAGYGMSSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579327376 1277155505 /nfs/dbraw/zinc/15/55/05/1277155505.db2.gz RLSRFIHDTBWSDC-DOTOQJQBSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328468 1277157691 /nfs/dbraw/zinc/15/76/91/1277157691.db2.gz CNONOYHVUBNDPZ-KRWDZBQOSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328468 1277157693 /nfs/dbraw/zinc/15/76/93/1277157693.db2.gz CNONOYHVUBNDPZ-KRWDZBQOSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579328468 1277157695 /nfs/dbraw/zinc/15/76/95/1277157695.db2.gz CNONOYHVUBNDPZ-KRWDZBQOSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCC2)C1 ZINC001579331873 1277161323 /nfs/dbraw/zinc/16/13/23/1277161323.db2.gz IDUZAIKLJYQZOM-INIZCTEOSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332049 1277162725 /nfs/dbraw/zinc/16/27/25/1277162725.db2.gz IERCHQKGRSVEOR-ARWYELJZSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331520 1277163167 /nfs/dbraw/zinc/16/31/67/1277163167.db2.gz FGKQUXAICLOXGE-OAHLLOKOSA-N 2 1 355.446 0.557 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333837 1277169231 /nfs/dbraw/zinc/16/92/31/1277169231.db2.gz SKZQIEBZDRTHRS-BEFAXECRSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333837 1277169234 /nfs/dbraw/zinc/16/92/34/1277169234.db2.gz SKZQIEBZDRTHRS-BEFAXECRSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579333837 1277169236 /nfs/dbraw/zinc/16/92/36/1277169236.db2.gz SKZQIEBZDRTHRS-BEFAXECRSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579334005 1277170637 /nfs/dbraw/zinc/17/06/37/1277170637.db2.gz UJVGBQUHSPVUSV-NVXWUHKLSA-N 2 1 369.473 0.803 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579335422 1277176803 /nfs/dbraw/zinc/17/68/03/1277176803.db2.gz QRSAPDNONLZIJI-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579335422 1277176807 /nfs/dbraw/zinc/17/68/07/1277176807.db2.gz QRSAPDNONLZIJI-QGZVFWFLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339636 1277182916 /nfs/dbraw/zinc/18/29/16/1277182916.db2.gz LGMXLJWKQNFJPU-NCOADZHNSA-N 2 1 367.457 0.365 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339636 1277182918 /nfs/dbraw/zinc/18/29/18/1277182918.db2.gz LGMXLJWKQNFJPU-NCOADZHNSA-N 2 1 367.457 0.365 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579339636 1277182922 /nfs/dbraw/zinc/18/29/22/1277182922.db2.gz LGMXLJWKQNFJPU-NCOADZHNSA-N 2 1 367.457 0.365 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579339352 1277183337 /nfs/dbraw/zinc/18/33/37/1277183337.db2.gz GBOCUDNOWGEOMH-HRCADAONSA-N 2 1 355.446 0.555 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001579339760 1277183570 /nfs/dbraw/zinc/18/35/70/1277183570.db2.gz LSDPHYKSIQTUEA-SDDRHHMPSA-N 2 1 361.475 0.617 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579340296 1277185954 /nfs/dbraw/zinc/18/59/54/1277185954.db2.gz TYBSFMLEJMXRFC-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340296 1277185955 /nfs/dbraw/zinc/18/59/55/1277185955.db2.gz TYBSFMLEJMXRFC-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579340296 1277185956 /nfs/dbraw/zinc/18/59/56/1277185956.db2.gz TYBSFMLEJMXRFC-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+]1CCC(CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001579341438 1277188716 /nfs/dbraw/zinc/18/87/16/1277188716.db2.gz LWGYMKBZANTXTP-UHFFFAOYSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341392 1277189366 /nfs/dbraw/zinc/18/93/66/1277189366.db2.gz KARPDAZHJHECLY-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346198 1277199145 /nfs/dbraw/zinc/19/91/45/1277199145.db2.gz ZMBBYIJBABRQMR-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346198 1277199147 /nfs/dbraw/zinc/19/91/47/1277199147.db2.gz ZMBBYIJBABRQMR-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579346198 1277199150 /nfs/dbraw/zinc/19/91/50/1277199150.db2.gz ZMBBYIJBABRQMR-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353122 1277208276 /nfs/dbraw/zinc/20/82/76/1277208276.db2.gz DWCZXHNDIPJZJV-BBRMVZONSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351632 1277209599 /nfs/dbraw/zinc/20/95/99/1277209599.db2.gz UMXXJSWRVLMZMV-ZWKOTPCHSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579351632 1277209600 /nfs/dbraw/zinc/20/96/00/1277209600.db2.gz UMXXJSWRVLMZMV-ZWKOTPCHSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353384 1277212414 /nfs/dbraw/zinc/21/24/14/1277212414.db2.gz KTJYSFPOTAYICO-WFASDCNBSA-N 2 1 356.434 0.181 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356748 1277222634 /nfs/dbraw/zinc/22/26/34/1277222634.db2.gz MKLNFLGBDYPDBV-SJORKVTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358879 1277229800 /nfs/dbraw/zinc/22/98/00/1277229800.db2.gz LCMSOJYWQIQGFM-IAGOWNOFSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579359297 1277231605 /nfs/dbraw/zinc/23/16/05/1277231605.db2.gz RWOMVIUBZNJWNQ-MRXNPFEDSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366259 1277247788 /nfs/dbraw/zinc/24/77/88/1277247788.db2.gz QKDJGDIQTBQBPQ-CZUORRHYSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369950 1277253446 /nfs/dbraw/zinc/25/34/46/1277253446.db2.gz DCAXXWFUYVERQE-CZUORRHYSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001579406436 1277288359 /nfs/dbraw/zinc/28/83/59/1277288359.db2.gz MDOZUDORHHFWIE-OWCLPIDISA-N 2 1 364.494 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001579439956 1277316827 /nfs/dbraw/zinc/31/68/27/1277316827.db2.gz FPNIOPPLHVNUHF-MCIONIFRSA-N 2 1 353.463 0.984 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001579801726 1277918433 /nfs/dbraw/zinc/91/84/33/1277918433.db2.gz LZFRVQHIHAYXHT-WSTZPKSXSA-N 2 1 359.470 0.548 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001579801726 1277918439 /nfs/dbraw/zinc/91/84/39/1277918439.db2.gz LZFRVQHIHAYXHT-WSTZPKSXSA-N 2 1 359.470 0.548 20 0 FCADMP Cn1cccc1-c1nnc(N2CC[C@H]([NH3+])C2)n1CCC[NH+]1CCOCC1 ZINC001579973934 1277983169 /nfs/dbraw/zinc/98/31/69/1277983169.db2.gz GPOGJCFKSYQWAB-HNNXBMFYSA-N 2 1 359.478 0.543 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580272603 1278066417 /nfs/dbraw/zinc/06/64/17/1278066417.db2.gz GBSAOWDAZFYUJI-ZFWWWQNUSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580273863 1278066879 /nfs/dbraw/zinc/06/68/79/1278066879.db2.gz DLZHHHSUPYWHNQ-WOSRLPQWSA-N 2 1 357.462 0.801 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580279148 1278077775 /nfs/dbraw/zinc/07/77/75/1278077775.db2.gz MWXVFPJEZUGHKK-DZGCQCFKSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580279846 1278077990 /nfs/dbraw/zinc/07/79/90/1278077990.db2.gz IUGVCSKNOKOJNA-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC001580857870 1279053909 /nfs/dbraw/zinc/05/39/09/1279053909.db2.gz ADONYCHRAWAMCS-FPCVCCKLSA-N 2 1 353.463 0.300 20 0 FCADMP Cc1cc(N(CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949939 1279155951 /nfs/dbraw/zinc/15/59/51/1279155951.db2.gz URNBSTUKZJMQMT-CYBMUJFWSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960386 1279164248 /nfs/dbraw/zinc/16/42/48/1279164248.db2.gz DDDPCMAUOVPBSJ-KGLIPLIRSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987084 1279183471 /nfs/dbraw/zinc/18/34/71/1279183471.db2.gz FOUITEIKNQQUBB-XHDPSFHLSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990706 1279193572 /nfs/dbraw/zinc/19/35/72/1279193572.db2.gz HISFYAVEPVHWJS-DOMZBBRYSA-N 2 1 358.450 0.345 20 0 FCADMP Cc1cc(N[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994161 1279200212 /nfs/dbraw/zinc/20/02/12/1279200212.db2.gz QPBSSLICFIDLGO-BBRMVZONSA-N 2 1 370.461 0.250 20 0 FCADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707853 1287332164 /nfs/dbraw/zinc/33/21/64/1287332164.db2.gz SQZXKCJFFJWLRZ-SQWLQELKSA-N 2 1 350.463 0.673 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013788 1279240198 /nfs/dbraw/zinc/24/01/98/1279240198.db2.gz WCWOGZWEKRFZCC-IACUBPJLSA-N 2 1 372.477 0.496 20 0 FCADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023961 1279255096 /nfs/dbraw/zinc/25/50/96/1279255096.db2.gz XUDKDOTWSNDUEP-KGLIPLIRSA-N 2 1 370.461 0.204 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001581102648 1279388674 /nfs/dbraw/zinc/38/86/74/1279388674.db2.gz OLUUUVJQGWUUPE-UKRRQHHQSA-N 2 1 365.478 0.655 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001581102648 1279388685 /nfs/dbraw/zinc/38/86/85/1279388685.db2.gz OLUUUVJQGWUUPE-UKRRQHHQSA-N 2 1 365.478 0.655 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@H]3CCS(=O)(=O)C3)CCCC2)CC[N@H+]1C ZINC001715095088 1287344568 /nfs/dbraw/zinc/34/45/68/1287344568.db2.gz OLLDWWAVQJNDRX-BZUAXINKSA-N 2 1 371.547 0.780 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc3ccccc3n2C)CC[N@H+]1C ZINC001715589066 1287356361 /nfs/dbraw/zinc/35/63/61/1287356361.db2.gz XUJSFOFUFUGUMV-RBSFLKMASA-N 2 1 359.474 0.480 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581340427 1279721229 /nfs/dbraw/zinc/72/12/29/1279721229.db2.gz QYWLQAAVVBMRPI-NSHDSACASA-N 2 1 372.408 0.805 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC001717453058 1287421894 /nfs/dbraw/zinc/42/18/94/1287421894.db2.gz AWOPALAHXOSOJG-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717701175 1287432558 /nfs/dbraw/zinc/43/25/58/1287432558.db2.gz UWUKZINDRRGHOW-UMVBOHGHSA-N 2 1 367.494 0.094 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717701175 1287432568 /nfs/dbraw/zinc/43/25/68/1287432568.db2.gz UWUKZINDRRGHOW-UMVBOHGHSA-N 2 1 367.494 0.094 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717701175 1287432579 /nfs/dbraw/zinc/43/25/79/1287432579.db2.gz UWUKZINDRRGHOW-UMVBOHGHSA-N 2 1 367.494 0.094 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C[C@@H]1C[NH3+] ZINC001603847997 1287518260 /nfs/dbraw/zinc/51/82/60/1287518260.db2.gz VQKQPEGYQAWPFV-CBBWQLFWSA-N 2 1 360.462 0.912 20 0 FCADMP C[C@@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001718563729 1287520387 /nfs/dbraw/zinc/52/03/87/1287520387.db2.gz HCSUDNFVRKJBSX-GZBFAFLISA-N 2 1 365.478 0.653 20 0 FCADMP C[C@@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001718563729 1287520391 /nfs/dbraw/zinc/52/03/91/1287520391.db2.gz HCSUDNFVRKJBSX-GZBFAFLISA-N 2 1 365.478 0.653 20 0 FCADMP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001589017953 1282769857 /nfs/dbraw/zinc/76/98/57/1282769857.db2.gz OJOJPAQCNOPQAZ-CYBMUJFWSA-N 2 1 373.461 0.582 20 0 FCADMP CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604296459 1287599296 /nfs/dbraw/zinc/59/92/96/1287599296.db2.gz IOGXUXFNTXMBPJ-CYBMUJFWSA-N 2 1 358.450 0.546 20 0 FCADMP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001589827713 1283066960 /nfs/dbraw/zinc/06/69/60/1283066960.db2.gz CPWXDMYTJLPDOR-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213064 1283346687 /nfs/dbraw/zinc/34/66/87/1283346687.db2.gz ARAWZHXRUAOOII-HLNSBACISA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1C[C@@H](O)C[NH+]1Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213064 1283346699 /nfs/dbraw/zinc/34/66/99/1283346699.db2.gz ARAWZHXRUAOOII-HLNSBACISA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1C[C@@H](O)C[NH+]1Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc(-c2nn[nH]n2)c1 ZINC001590213064 1283346713 /nfs/dbraw/zinc/34/67/13/1283346713.db2.gz ARAWZHXRUAOOII-HLNSBACISA-N 2 1 372.473 0.777 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590226677 1283356978 /nfs/dbraw/zinc/35/69/78/1283356978.db2.gz FGQJDLGBFLYDJJ-BETUJISGSA-N 2 1 358.450 0.475 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@@H]1C[NH3+] ZINC001590264030 1283387755 /nfs/dbraw/zinc/38/77/55/1283387755.db2.gz PTKNZDMVNOKSFG-DIOULYMOSA-N 2 1 355.446 0.497 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O)C1CCC1 ZINC001682504051 1283626841 /nfs/dbraw/zinc/62/68/41/1283626841.db2.gz XCKPXJXBGQKZCE-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)CC(C)(C)C ZINC001682504051 1283626857 /nfs/dbraw/zinc/62/68/57/1283626857.db2.gz XCKPXJXBGQKZCE-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)CC(C)(C)C ZINC001682504051 1283626875 /nfs/dbraw/zinc/62/68/75/1283626875.db2.gz XCKPXJXBGQKZCE-HZPDHXFCSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678739 1283729531 /nfs/dbraw/zinc/72/95/31/1283729531.db2.gz ZPDCHQXICPWZTE-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678739 1283729541 /nfs/dbraw/zinc/72/95/41/1283729541.db2.gz ZPDCHQXICPWZTE-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678739 1283729549 /nfs/dbraw/zinc/72/95/49/1283729549.db2.gz ZPDCHQXICPWZTE-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 ZINC001590678739 1283729572 /nfs/dbraw/zinc/72/95/72/1283729572.db2.gz ZPDCHQXICPWZTE-HUUCEWRRSA-N 2 1 360.462 0.880 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590732520 1283764967 /nfs/dbraw/zinc/76/49/67/1283764967.db2.gz BFNGSKIUJDVQHG-INIZCTEOSA-N 2 1 357.462 0.947 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071169 1284130526 /nfs/dbraw/zinc/13/05/26/1284130526.db2.gz PJUYGAOCMBBRBK-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071169 1284130533 /nfs/dbraw/zinc/13/05/33/1284130533.db2.gz PJUYGAOCMBBRBK-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1-c1nn[nH]n1 ZINC001591071169 1284130537 /nfs/dbraw/zinc/13/05/37/1284130537.db2.gz PJUYGAOCMBBRBK-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CCc3cncn3C)C2)CC[N@H+]1C ZINC001684239242 1284148892 /nfs/dbraw/zinc/14/88/92/1284148892.db2.gz YVVSCPBHTVFJSR-PNBKFKSVSA-N 2 1 361.490 0.704 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172511 1284254679 /nfs/dbraw/zinc/25/46/79/1284254679.db2.gz VSKGQOSECJRCIV-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172511 1284254693 /nfs/dbraw/zinc/25/46/93/1284254693.db2.gz VSKGQOSECJRCIV-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591172511 1284254703 /nfs/dbraw/zinc/25/47/03/1284254703.db2.gz VSKGQOSECJRCIV-SJORKVTESA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172498 1284255418 /nfs/dbraw/zinc/25/54/18/1284255418.db2.gz VRPGTNCQSCPSMC-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172498 1284255429 /nfs/dbraw/zinc/25/54/29/1284255429.db2.gz VRPGTNCQSCPSMC-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591172498 1284255441 /nfs/dbraw/zinc/25/54/41/1284255441.db2.gz VRPGTNCQSCPSMC-CVEARBPZSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001591176718 1284269526 /nfs/dbraw/zinc/26/95/26/1284269526.db2.gz UCQCEAGGSAQTKG-FOSCPCJNSA-N 2 1 369.473 0.971 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001591178491 1284277614 /nfs/dbraw/zinc/27/76/14/1284277614.db2.gz KJALGNNSXRXJBK-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186112 1284294956 /nfs/dbraw/zinc/29/49/56/1284294956.db2.gz FGENBDBYKIMDGE-ZACQAIPSSA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186112 1284294967 /nfs/dbraw/zinc/29/49/67/1284294967.db2.gz FGENBDBYKIMDGE-ZACQAIPSSA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591187355 1284297547 /nfs/dbraw/zinc/29/75/47/1284297547.db2.gz QRBAMLPZLIMXFE-XQJDBVBESA-N 2 1 361.475 0.784 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001591186612 1284298974 /nfs/dbraw/zinc/29/89/74/1284298974.db2.gz VPFRXFMDBUYEGL-XEZPLFJOSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591187536 1284301966 /nfs/dbraw/zinc/30/19/66/1284301966.db2.gz YFDLOCFGRINKFH-WOMSROEHSA-N 2 1 373.436 0.862 20 0 FCADMP Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC001591846961 1284946739 /nfs/dbraw/zinc/94/67/39/1284946739.db2.gz NJXHGQRTHHFOHF-MRXNPFEDSA-N 2 1 369.473 0.880 20 0 FCADMP Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC001591846960 1284947671 /nfs/dbraw/zinc/94/76/71/1284947671.db2.gz NJXHGQRTHHFOHF-INIZCTEOSA-N 2 1 369.473 0.880 20 0 FCADMP Cc1cc(N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000834 1285051278 /nfs/dbraw/zinc/05/12/78/1285051278.db2.gz ZKSSVTCZCIWQEE-SCLBCKFNSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592006566 1285056937 /nfs/dbraw/zinc/05/69/37/1285056937.db2.gz SBTRKVYLPYKALA-AWEZNQCLSA-N 2 1 356.434 0.313 20 0 FCADMP Cc1cc(NC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046703 1285087556 /nfs/dbraw/zinc/08/75/56/1285087556.db2.gz MQAIHNBFRFCELI-VQTKUKTRSA-N 2 1 370.461 0.418 20 0 FCADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1-c1nn[nH]n1 ZINC001592154858 1285160747 /nfs/dbraw/zinc/16/07/47/1285160747.db2.gz MBQJGDUAGFYOEQ-OAHLLOKOSA-N 2 1 357.462 0.995 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001592785942 1285712058 /nfs/dbraw/zinc/71/20/58/1285712058.db2.gz BQAUREZLDKVYBF-APWZRJJASA-N 2 1 367.457 0.656 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038323 1285922379 /nfs/dbraw/zinc/92/23/79/1285922379.db2.gz RYXJVJLESTZUPS-DOTOQJQBSA-N 2 1 369.473 0.947 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037389 1285922851 /nfs/dbraw/zinc/92/28/51/1285922851.db2.gz DIQCOOXLQZKURD-PBHICJAKSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284581 1289048156 /nfs/dbraw/zinc/04/81/56/1289048156.db2.gz UXILANTZKMGYKJ-GDBMZVCRSA-N 2 1 360.462 0.928 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C2CC2)CC[N@H+]1C ZINC001703848043 1286153470 /nfs/dbraw/zinc/15/34/70/1286153470.db2.gz PQQXLMVDOYSTLJ-OIISXLGYSA-N 2 1 362.518 0.966 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719244011 1287936900 /nfs/dbraw/zinc/93/69/00/1287936900.db2.gz PPZGOIABYLLPQW-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP [NH3+]Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606440807 1288320463 /nfs/dbraw/zinc/32/04/63/1288320463.db2.gz QYLYDZRFMSHEKO-KRWDZBQOSA-N 2 1 363.425 0.829 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001721403541 1288335162 /nfs/dbraw/zinc/33/51/62/1288335162.db2.gz BDLPOVACALDJJR-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001721403541 1288335170 /nfs/dbraw/zinc/33/51/70/1288335170.db2.gz BDLPOVACALDJJR-RHSMWYFYSA-N 2 1 361.490 0.887 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001723718445 1288427296 /nfs/dbraw/zinc/42/72/96/1288427296.db2.gz JHZFXBCOIHUYGL-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001723718445 1288427299 /nfs/dbraw/zinc/42/72/99/1288427299.db2.gz JHZFXBCOIHUYGL-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001723718445 1288427304 /nfs/dbraw/zinc/42/73/04/1288427304.db2.gz JHZFXBCOIHUYGL-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@H](C)C3)CCC2)CC[N@H+]1C ZINC001724786355 1288449886 /nfs/dbraw/zinc/44/98/86/1288449886.db2.gz PITCFPVGWUBIED-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)OCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001724970743 1288457639 /nfs/dbraw/zinc/45/76/39/1288457639.db2.gz DNMGEVWNDAVVGF-SJLPKXTDSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)OCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001724970743 1288457641 /nfs/dbraw/zinc/45/76/41/1288457641.db2.gz DNMGEVWNDAVVGF-SJLPKXTDSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)OCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001724970743 1288457643 /nfs/dbraw/zinc/45/76/43/1288457643.db2.gz DNMGEVWNDAVVGF-SJLPKXTDSA-N 2 1 352.523 0.580 20 0 FCADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001606763733 1288497251 /nfs/dbraw/zinc/49/72/51/1288497251.db2.gz KHZSBRKKIXSMKX-ZBFHGGJFSA-N 2 1 355.446 0.702 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001731443834 1288557198 /nfs/dbraw/zinc/55/71/98/1288557198.db2.gz HLUSMPDNNLECSM-KCYZZUKISA-N 2 1 362.474 0.815 20 0 FCADMP C[C@@H]([NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001691899317 1289335966 /nfs/dbraw/zinc/33/59/66/1289335966.db2.gz STUJDZHFJUJCFZ-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001691948157 1289348981 /nfs/dbraw/zinc/34/89/81/1289348981.db2.gz QOBKCECYLDROID-ARFHVFGLSA-N 2 1 352.523 0.975 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001691981715 1289357019 /nfs/dbraw/zinc/35/70/19/1289357019.db2.gz DUYFXMAJXFQIJU-DLBZAZTESA-N 2 1 360.462 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCCCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001692159040 1289410563 /nfs/dbraw/zinc/41/05/63/1289410563.db2.gz FQBJSWFRCFFGSI-OAGGEKHMSA-N 2 1 366.506 0.740 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCNC(=O)C1CC1 ZINC001692182582 1289420600 /nfs/dbraw/zinc/42/06/00/1289420600.db2.gz JOMYSACWZXSXLF-OKZBNKHCSA-N 2 1 362.518 0.824 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001692287011 1289444871 /nfs/dbraw/zinc/44/48/71/1289444871.db2.gz XSJNDJGYKRLJCT-CVEARBPZSA-N 2 1 366.506 0.014 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692291317 1289445560 /nfs/dbraw/zinc/44/55/60/1289445560.db2.gz BPTVNFAVPGPILL-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(=O)NC)CCCC2)CC[N@H+]1C ZINC001698797460 1289535906 /nfs/dbraw/zinc/53/59/06/1289535906.db2.gz ARSKAORIDPEVGL-UONOGXRCSA-N 2 1 367.494 0.191 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCNC(=O)NC(C)(C)C)CC2)CC[N@H+]1C ZINC001699651854 1289560823 /nfs/dbraw/zinc/56/08/23/1289560823.db2.gz SSRSKUXTKUWYJI-ZIAGYGMSSA-N 2 1 353.511 0.663 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699813644 1289566969 /nfs/dbraw/zinc/56/69/69/1289566969.db2.gz MUTYVNXCABSXTL-KYJSFNMBSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699813644 1289566974 /nfs/dbraw/zinc/56/69/74/1289566974.db2.gz MUTYVNXCABSXTL-KYJSFNMBSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699813644 1289566982 /nfs/dbraw/zinc/56/69/82/1289566982.db2.gz MUTYVNXCABSXTL-KYJSFNMBSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N(CC)CC)C2)CC[N@@H+]1C ZINC001699898147 1289573438 /nfs/dbraw/zinc/57/34/38/1289573438.db2.gz MHYYTPOUUSJXRC-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N(CC)CC)C2)CC[N@H+]1C ZINC001699898147 1289573444 /nfs/dbraw/zinc/57/34/44/1289573444.db2.gz MHYYTPOUUSJXRC-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(CC)CC)C2)CC[NH+]1C ZINC001699898147 1289573449 /nfs/dbraw/zinc/57/34/49/1289573449.db2.gz MHYYTPOUUSJXRC-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(CC)CC)C2)CC[NH+]1C ZINC001699898147 1289573457 /nfs/dbraw/zinc/57/34/57/1289573457.db2.gz MHYYTPOUUSJXRC-FCEWJHQRSA-N 2 1 368.522 0.138 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001619933680 1289968665 /nfs/dbraw/zinc/96/86/65/1289968665.db2.gz HYRDCFSPFIWQEK-GOSISDBHSA-N 2 1 366.510 0.237 20 0 FCADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001619933680 1289968676 /nfs/dbraw/zinc/96/86/76/1289968676.db2.gz HYRDCFSPFIWQEK-GOSISDBHSA-N 2 1 366.510 0.237 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OC ZINC001739584737 1290197974 /nfs/dbraw/zinc/19/79/74/1290197974.db2.gz PLYXSILCWCFFGT-HZPDHXFCSA-N 2 1 365.478 0.265 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OC ZINC001739584737 1290197976 /nfs/dbraw/zinc/19/79/76/1290197976.db2.gz PLYXSILCWCFFGT-HZPDHXFCSA-N 2 1 365.478 0.265 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001628812525 1290556508 /nfs/dbraw/zinc/55/65/08/1290556508.db2.gz LQLQEQURRQSDJP-DLBZAZTESA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001628812525 1290556514 /nfs/dbraw/zinc/55/65/14/1290556514.db2.gz LQLQEQURRQSDJP-DLBZAZTESA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001628812525 1290556519 /nfs/dbraw/zinc/55/65/19/1290556519.db2.gz LQLQEQURRQSDJP-DLBZAZTESA-N 2 1 366.506 0.794 20 0 FCADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC001630525485 1290673640 /nfs/dbraw/zinc/67/36/40/1290673640.db2.gz QMMTZGXNHZYSKN-XDNAFOTISA-N 2 1 353.507 0.716 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001757092834 1290714330 /nfs/dbraw/zinc/71/43/30/1290714330.db2.gz VGSSRRIZFYZTKO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C[C@H]1C ZINC001757092834 1290714336 /nfs/dbraw/zinc/71/43/36/1290714336.db2.gz VGSSRRIZFYZTKO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C[C@H]1C ZINC001757092834 1290714344 /nfs/dbraw/zinc/71/43/44/1290714344.db2.gz VGSSRRIZFYZTKO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001757092834 1290714346 /nfs/dbraw/zinc/71/43/46/1290714346.db2.gz VGSSRRIZFYZTKO-OAGGEKHMSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+]1CCN(c2ncc(CNC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cn2)CC1 ZINC001657551509 1291613724 /nfs/dbraw/zinc/61/37/24/1291613724.db2.gz FYTMNNSAAQOZIZ-OALUTQOASA-N 2 1 374.533 0.696 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001666552239 1291913575 /nfs/dbraw/zinc/91/35/75/1291913575.db2.gz DBAMGUHWRLNJNF-YNEHKIRRSA-N 2 1 366.428 0.689 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001688875932 1294542560 /nfs/dbraw/zinc/54/25/60/1294542560.db2.gz IWLWVTNRMKZHGG-HRCADAONSA-N 2 1 352.523 0.927 20 0 FCADMP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001688985189 1294560972 /nfs/dbraw/zinc/56/09/72/1294560972.db2.gz UNHJLTVELVKXIS-RRFJBIMHSA-N 2 1 364.494 0.357 20 0 FCADMP C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001689135102 1294622862 /nfs/dbraw/zinc/62/28/62/1294622862.db2.gz WHAJKABFIAMOAC-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001689184502 1294653465 /nfs/dbraw/zinc/65/34/65/1294653465.db2.gz HUUDEIRKVMOMFH-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001689184502 1294653480 /nfs/dbraw/zinc/65/34/80/1294653480.db2.gz HUUDEIRKVMOMFH-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001689309778 1294735851 /nfs/dbraw/zinc/73/58/51/1294735851.db2.gz WLHRRJBTRCUNGM-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001689309778 1294735859 /nfs/dbraw/zinc/73/58/59/1294735859.db2.gz WLHRRJBTRCUNGM-ZBFHGGJFSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001689321372 1294746082 /nfs/dbraw/zinc/74/60/82/1294746082.db2.gz DVLZRICFZJQYCR-PBHICJAKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001689325269 1294751462 /nfs/dbraw/zinc/75/14/62/1294751462.db2.gz KFDYTDOSOHPALR-PBHICJAKSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001689349546 1294766339 /nfs/dbraw/zinc/76/63/39/1294766339.db2.gz JTDDWIWNXCMDMG-GWOVIKRFSA-N 2 1 366.506 0.226 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001690576742 1294873223 /nfs/dbraw/zinc/87/32/23/1294873223.db2.gz IEJXYQBLZXDSHW-HOSYDEDBSA-N 2 1 354.480 0.220 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001690623785 1294877369 /nfs/dbraw/zinc/87/73/69/1294877369.db2.gz WPQNNKHLYIGDQR-NXHRZFHOSA-N 2 1 360.502 0.904 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001690943871 1294894435 /nfs/dbraw/zinc/89/44/35/1294894435.db2.gz XHKFBFVIGVZWQB-LSDHHAIUSA-N 2 1 365.526 0.749 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001690943871 1294894445 /nfs/dbraw/zinc/89/44/45/1294894445.db2.gz XHKFBFVIGVZWQB-LSDHHAIUSA-N 2 1 365.526 0.749 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001690943871 1294894461 /nfs/dbraw/zinc/89/44/61/1294894461.db2.gz XHKFBFVIGVZWQB-LSDHHAIUSA-N 2 1 365.526 0.749 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001691659528 1294907655 /nfs/dbraw/zinc/90/76/55/1294907655.db2.gz MFYXKVRSUSDTOC-HRCADAONSA-N 2 1 351.495 0.228 20 0 FCADMP C[NH+]1CCC(Oc2ccnc(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2)CC1 ZINC001164391250 718809870 /nfs/dbraw/zinc/80/98/70/718809870.db2.gz GPQUEANXZISKFK-UHFFFAOYSA-N 2 1 359.474 0.613 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc(Cl)c2C(N)=O)c2c1CC[NH2+]C2 ZINC001164681630 719628078 /nfs/dbraw/zinc/62/80/78/719628078.db2.gz JTVHMRIFEXVPSF-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc(Cl)c2C(N)=O)c2c1CC[NH2+]C2 ZINC001164681630 719628084 /nfs/dbraw/zinc/62/80/84/719628084.db2.gz JTVHMRIFEXVPSF-UHFFFAOYSA-N 2 1 363.853 0.901 20 0 FCADMP Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164739048 720626472 /nfs/dbraw/zinc/62/64/72/720626472.db2.gz DKKLSEDEHZKITB-LSDHHAIUSA-N 2 1 355.446 0.983 20 0 FCADMP COCC[N@H+]1CCO[C@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@H]2C1 ZINC001164856660 720893380 /nfs/dbraw/zinc/89/33/80/720893380.db2.gz GDSNEAGJKANCFA-RDJZCZTQSA-N 2 1 361.490 0.645 20 0 FCADMP Cn1ccc2c1nc[nH+]c2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164750516 720948260 /nfs/dbraw/zinc/94/82/60/720948260.db2.gz KQMUXPLQARHKFD-UHFFFAOYSA-N 2 1 369.429 0.810 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164868822 721069655 /nfs/dbraw/zinc/06/96/55/721069655.db2.gz QSCLRTQBXQFLNV-HZPDHXFCSA-N 2 1 352.442 0.955 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164868822 721069661 /nfs/dbraw/zinc/06/96/61/721069661.db2.gz QSCLRTQBXQFLNV-HZPDHXFCSA-N 2 1 352.442 0.955 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC001067536168 837465297 /nfs/dbraw/zinc/46/52/97/837465297.db2.gz OOJUDKVENDRDGF-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1C ZINC001067536168 837465299 /nfs/dbraw/zinc/46/52/99/837465299.db2.gz OOJUDKVENDRDGF-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1C ZINC001067536168 837465301 /nfs/dbraw/zinc/46/53/01/837465301.db2.gz OOJUDKVENDRDGF-GVDBMIGSSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067712504 837475273 /nfs/dbraw/zinc/47/52/73/837475273.db2.gz USDUTEVUKQCYMO-OWCLPIDISA-N 2 1 356.511 0.353 20 0 FCADMP CC[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH+](C)C ZINC001067712504 837475276 /nfs/dbraw/zinc/47/52/76/837475276.db2.gz USDUTEVUKQCYMO-OWCLPIDISA-N 2 1 356.511 0.353 20 0 FCADMP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006373 837594138 /nfs/dbraw/zinc/59/41/38/837594138.db2.gz SJWNXYWCWZQLMC-PMPSAXMXSA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006373 837594144 /nfs/dbraw/zinc/59/41/44/837594144.db2.gz SJWNXYWCWZQLMC-PMPSAXMXSA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006373 837594149 /nfs/dbraw/zinc/59/41/49/837594149.db2.gz SJWNXYWCWZQLMC-PMPSAXMXSA-N 2 1 350.467 0.137 20 0 FCADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006373 837594153 /nfs/dbraw/zinc/59/41/53/837594153.db2.gz SJWNXYWCWZQLMC-PMPSAXMXSA-N 2 1 350.467 0.137 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001070007818 837595521 /nfs/dbraw/zinc/59/55/21/837595521.db2.gz BTHVOJIZNDOCNP-JONQDZQNSA-N 2 1 352.458 0.710 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001070007818 837595530 /nfs/dbraw/zinc/59/55/30/837595530.db2.gz BTHVOJIZNDOCNP-JONQDZQNSA-N 2 1 352.458 0.710 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001070007818 837595541 /nfs/dbraw/zinc/59/55/41/837595541.db2.gz BTHVOJIZNDOCNP-JONQDZQNSA-N 2 1 352.458 0.710 20 0 FCADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100285 837617620 /nfs/dbraw/zinc/61/76/20/837617620.db2.gz OASJDZRTHCQFRU-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100285 837617622 /nfs/dbraw/zinc/61/76/22/837617622.db2.gz OASJDZRTHCQFRU-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100285 837617624 /nfs/dbraw/zinc/61/76/24/837617624.db2.gz OASJDZRTHCQFRU-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100285 837617626 /nfs/dbraw/zinc/61/76/26/837617626.db2.gz OASJDZRTHCQFRU-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070768062 837679661 /nfs/dbraw/zinc/67/96/61/837679661.db2.gz ZJQVCPLXODXSDS-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070768062 837679667 /nfs/dbraw/zinc/67/96/67/837679667.db2.gz ZJQVCPLXODXSDS-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071063191 837722489 /nfs/dbraw/zinc/72/24/89/837722489.db2.gz JAOJTZAVMABNGH-SCTDSRPQSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605335 837778094 /nfs/dbraw/zinc/77/80/94/837778094.db2.gz IHBWLSHXTZMQDZ-KSZLIROESA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC3CCOCC3)CCCO2)CC[N@H+]1C ZINC001073611372 837779564 /nfs/dbraw/zinc/77/95/64/837779564.db2.gz VJYGCHGLFFAEFD-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC3CCOCC3)CCCO2)CC[NH+]1C ZINC001073611372 837779568 /nfs/dbraw/zinc/77/95/68/837779568.db2.gz VJYGCHGLFFAEFD-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CCOCC3)CCCO2)CC[NH+]1C ZINC001073611372 837779573 /nfs/dbraw/zinc/77/95/73/837779573.db2.gz VJYGCHGLFFAEFD-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099317608 844019535 /nfs/dbraw/zinc/01/95/35/844019535.db2.gz KACPRCBCIVPVQC-UPJWGTAASA-N 2 1 364.412 0.714 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099317608 844019542 /nfs/dbraw/zinc/01/95/42/844019542.db2.gz KACPRCBCIVPVQC-UPJWGTAASA-N 2 1 364.412 0.714 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171559 844087337 /nfs/dbraw/zinc/08/73/37/844087337.db2.gz FDHUDPPRPICJHI-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171559 844087349 /nfs/dbraw/zinc/08/73/49/844087349.db2.gz FDHUDPPRPICJHI-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171559 844087354 /nfs/dbraw/zinc/08/73/54/844087354.db2.gz FDHUDPPRPICJHI-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171559 844087364 /nfs/dbraw/zinc/08/73/64/844087364.db2.gz FDHUDPPRPICJHI-RYRKJORJSA-N 2 1 371.547 0.686 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171513 844087846 /nfs/dbraw/zinc/08/78/46/844087846.db2.gz CRLVPSJZZNHTGT-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171513 844087856 /nfs/dbraw/zinc/08/78/56/844087856.db2.gz CRLVPSJZZNHTGT-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171513 844087864 /nfs/dbraw/zinc/08/78/64/844087864.db2.gz CRLVPSJZZNHTGT-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177286 844090306 /nfs/dbraw/zinc/09/03/06/844090306.db2.gz YMIDJFHXXRPAFR-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177286 844090317 /nfs/dbraw/zinc/09/03/17/844090317.db2.gz YMIDJFHXXRPAFR-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101177286 844090324 /nfs/dbraw/zinc/09/03/24/844090324.db2.gz YMIDJFHXXRPAFR-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186777 844098430 /nfs/dbraw/zinc/09/84/30/844098430.db2.gz FGZPXIPBZAWEEH-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101186777 844098439 /nfs/dbraw/zinc/09/84/39/844098439.db2.gz FGZPXIPBZAWEEH-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186777 844098443 /nfs/dbraw/zinc/09/84/43/844098443.db2.gz FGZPXIPBZAWEEH-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCCCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101186777 844098454 /nfs/dbraw/zinc/09/84/54/844098454.db2.gz FGZPXIPBZAWEEH-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000388792062 836055543 /nfs/dbraw/zinc/05/55/43/836055543.db2.gz IOBXBPKEVBUMOF-QGZVFWFLSA-N 2 1 352.504 0.733 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267665 844126607 /nfs/dbraw/zinc/12/66/07/844126607.db2.gz ODPINDPSZTZQIE-AOIWGVFYSA-N 2 1 353.507 0.770 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290247 844136693 /nfs/dbraw/zinc/13/66/93/844136693.db2.gz HDXFRHNRMUUGPR-RYRKJORJSA-N 2 1 351.491 0.402 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344909 844153929 /nfs/dbraw/zinc/15/39/29/844153929.db2.gz KKEGFZIEICCLJN-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364260 844162053 /nfs/dbraw/zinc/16/20/53/844162053.db2.gz QBXOGYZDGLKKMM-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364260 844162056 /nfs/dbraw/zinc/16/20/56/844162056.db2.gz QBXOGYZDGLKKMM-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364260 844162058 /nfs/dbraw/zinc/16/20/58/844162058.db2.gz QBXOGYZDGLKKMM-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101364260 844162062 /nfs/dbraw/zinc/16/20/62/844162062.db2.gz QBXOGYZDGLKKMM-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417439 844178998 /nfs/dbraw/zinc/17/89/98/844178998.db2.gz NURVZVMIACVKJK-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417439 844179002 /nfs/dbraw/zinc/17/90/02/844179002.db2.gz NURVZVMIACVKJK-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101417439 844179006 /nfs/dbraw/zinc/17/90/06/844179006.db2.gz NURVZVMIACVKJK-CLCXKQKWSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443660 844187653 /nfs/dbraw/zinc/18/76/53/844187653.db2.gz NIYNLWCKUFKUPT-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443660 844187659 /nfs/dbraw/zinc/18/76/59/844187659.db2.gz NIYNLWCKUFKUPT-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443660 844187666 /nfs/dbraw/zinc/18/76/66/844187666.db2.gz NIYNLWCKUFKUPT-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001061862227 836719260 /nfs/dbraw/zinc/71/92/60/836719260.db2.gz RCEKXBLLZKEWMC-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469213 844198279 /nfs/dbraw/zinc/19/82/79/844198279.db2.gz GQBTUZGLBBWMPU-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469213 844198285 /nfs/dbraw/zinc/19/82/85/844198285.db2.gz GQBTUZGLBBWMPU-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469213 844198291 /nfs/dbraw/zinc/19/82/91/844198291.db2.gz GQBTUZGLBBWMPU-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP CCOCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469213 844198298 /nfs/dbraw/zinc/19/82/98/844198298.db2.gz GQBTUZGLBBWMPU-LMMKCTJWSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)CC[N@H+]1C ZINC001064255015 836792062 /nfs/dbraw/zinc/79/20/62/836792062.db2.gz TYJSPGHLBGDZLL-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483787 844205030 /nfs/dbraw/zinc/20/50/30/844205030.db2.gz HYGMLIGCCDVJHV-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001065205454 836821400 /nfs/dbraw/zinc/82/14/00/836821400.db2.gz CUGMWYLSOICRSG-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001076365564 837990793 /nfs/dbraw/zinc/99/07/93/837990793.db2.gz DIYWHLQVFXNZHI-RCCFBDPRSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001076365564 837990803 /nfs/dbraw/zinc/99/08/03/837990803.db2.gz DIYWHLQVFXNZHI-RCCFBDPRSA-N 2 1 351.491 0.811 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819274 844281960 /nfs/dbraw/zinc/28/19/60/844281960.db2.gz CVDDYQIZJGIJDG-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819274 844281969 /nfs/dbraw/zinc/28/19/69/844281969.db2.gz CVDDYQIZJGIJDG-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101819274 844281978 /nfs/dbraw/zinc/28/19/78/844281978.db2.gz CVDDYQIZJGIJDG-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101819274 844281988 /nfs/dbraw/zinc/28/19/88/844281988.db2.gz CVDDYQIZJGIJDG-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588739 838021814 /nfs/dbraw/zinc/02/18/14/838021814.db2.gz DEOIBKBTRCYEJQ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588739 838021818 /nfs/dbraw/zinc/02/18/18/838021818.db2.gz DEOIBKBTRCYEJQ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588739 838021826 /nfs/dbraw/zinc/02/18/26/838021826.db2.gz DEOIBKBTRCYEJQ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)C1 ZINC001076588739 838021835 /nfs/dbraw/zinc/02/18/35/838021835.db2.gz DEOIBKBTRCYEJQ-RCCFBDPRSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838916 838128727 /nfs/dbraw/zinc/12/87/27/838128727.db2.gz SEKNTMHBBIOSJW-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838916 838128731 /nfs/dbraw/zinc/12/87/31/838128731.db2.gz SEKNTMHBBIOSJW-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838916 838128733 /nfs/dbraw/zinc/12/87/33/838128733.db2.gz SEKNTMHBBIOSJW-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2O)C1 ZINC001076838916 838128738 /nfs/dbraw/zinc/12/87/38/838128738.db2.gz SEKNTMHBBIOSJW-ZACQAIPSSA-N 2 1 351.491 0.449 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2O)n1 ZINC001077014377 838216492 /nfs/dbraw/zinc/21/64/92/838216492.db2.gz SURASMBZSHQBON-HZPDHXFCSA-N 2 1 351.495 0.656 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983837 844360453 /nfs/dbraw/zinc/36/04/53/844360453.db2.gz NMGWGOSMNSKSIR-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983837 844360459 /nfs/dbraw/zinc/36/04/59/844360459.db2.gz NMGWGOSMNSKSIR-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983837 844360468 /nfs/dbraw/zinc/36/04/68/844360468.db2.gz NMGWGOSMNSKSIR-WCXIOVBPSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077091447 838725893 /nfs/dbraw/zinc/72/58/93/838725893.db2.gz ZWADZIHCBYYCPI-OWCLPIDISA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077091447 838725900 /nfs/dbraw/zinc/72/59/00/838725900.db2.gz ZWADZIHCBYYCPI-OWCLPIDISA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077091447 838725908 /nfs/dbraw/zinc/72/59/08/838725908.db2.gz ZWADZIHCBYYCPI-OWCLPIDISA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077091447 838725916 /nfs/dbraw/zinc/72/59/16/838725916.db2.gz ZWADZIHCBYYCPI-OWCLPIDISA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077091446 838726076 /nfs/dbraw/zinc/72/60/76/838726076.db2.gz ZWADZIHCBYYCPI-BZUAXINKSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077091446 838726085 /nfs/dbraw/zinc/72/60/85/838726085.db2.gz ZWADZIHCBYYCPI-BZUAXINKSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077091446 838726089 /nfs/dbraw/zinc/72/60/89/838726089.db2.gz ZWADZIHCBYYCPI-BZUAXINKSA-N 2 1 352.504 0.721 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077091446 838726095 /nfs/dbraw/zinc/72/60/95/838726095.db2.gz ZWADZIHCBYYCPI-BZUAXINKSA-N 2 1 352.504 0.721 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077129224 838755286 /nfs/dbraw/zinc/75/52/86/838755286.db2.gz ZPRXWSIMNPIUAZ-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077129224 838755290 /nfs/dbraw/zinc/75/52/90/838755290.db2.gz ZPRXWSIMNPIUAZ-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001077129224 838755297 /nfs/dbraw/zinc/75/52/97/838755297.db2.gz ZPRXWSIMNPIUAZ-FGTMMUONSA-N 2 1 351.491 0.591 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O ZINC001077131533 838757451 /nfs/dbraw/zinc/75/74/51/838757451.db2.gz FDRDJHDDTRPZBU-KBAYOESNSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077131533 838757456 /nfs/dbraw/zinc/75/74/56/838757456.db2.gz FDRDJHDDTRPZBU-KBAYOESNSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077131533 838757462 /nfs/dbraw/zinc/75/74/62/838757462.db2.gz FDRDJHDDTRPZBU-KBAYOESNSA-N 2 1 353.507 0.980 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C1CC[NH+](C)CC1 ZINC001077148045 838771566 /nfs/dbraw/zinc/77/15/66/838771566.db2.gz UYUDGTFNJZKOLH-SQWLQELKSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C1CC[NH+](C)CC1 ZINC001077148045 838771574 /nfs/dbraw/zinc/77/15/74/838771574.db2.gz UYUDGTFNJZKOLH-SQWLQELKSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077280716 838872497 /nfs/dbraw/zinc/87/24/97/838872497.db2.gz JCGGJTUKXTXSLX-BRWVUGGUSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001077280716 838872515 /nfs/dbraw/zinc/87/25/15/838872515.db2.gz JCGGJTUKXTXSLX-BRWVUGGUSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077280716 838872526 /nfs/dbraw/zinc/87/25/26/838872526.db2.gz JCGGJTUKXTXSLX-BRWVUGGUSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077280716 838872540 /nfs/dbraw/zinc/87/25/40/838872540.db2.gz JCGGJTUKXTXSLX-BRWVUGGUSA-N 2 1 366.531 0.967 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001077299457 838886738 /nfs/dbraw/zinc/88/67/38/838886738.db2.gz CKYGDVVUXKYOBO-ZACQAIPSSA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001077440926 838968020 /nfs/dbraw/zinc/96/80/20/838968020.db2.gz XYHAGHHJVXKEQG-KZNAEPCWSA-N 2 1 351.491 0.449 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553165 839030696 /nfs/dbraw/zinc/03/06/96/839030696.db2.gz DKVRTOZFGOVNHT-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553165 839030687 /nfs/dbraw/zinc/03/06/87/839030687.db2.gz DKVRTOZFGOVNHT-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077553165 839030708 /nfs/dbraw/zinc/03/07/08/839030708.db2.gz DKVRTOZFGOVNHT-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051841 844398598 /nfs/dbraw/zinc/39/85/98/844398598.db2.gz PMBUJZXFDGKNTJ-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051841 844398605 /nfs/dbraw/zinc/39/86/05/844398605.db2.gz PMBUJZXFDGKNTJ-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051841 844398613 /nfs/dbraw/zinc/39/86/13/844398613.db2.gz PMBUJZXFDGKNTJ-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685351 839111818 /nfs/dbraw/zinc/11/18/18/839111818.db2.gz LZILYPAUQDNKRZ-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685351 839111824 /nfs/dbraw/zinc/11/18/24/839111824.db2.gz LZILYPAUQDNKRZ-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001077685351 839111827 /nfs/dbraw/zinc/11/18/27/839111827.db2.gz LZILYPAUQDNKRZ-BRWVUGGUSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077924174 839234531 /nfs/dbraw/zinc/23/45/31/839234531.db2.gz WOZQXZVLFOHEBZ-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209693 839405335 /nfs/dbraw/zinc/40/53/35/839405335.db2.gz KTFKRFYIBGMCTA-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209693 839405343 /nfs/dbraw/zinc/40/53/43/839405343.db2.gz KTFKRFYIBGMCTA-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209693 839405353 /nfs/dbraw/zinc/40/53/53/839405353.db2.gz KTFKRFYIBGMCTA-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2O)C1 ZINC001078209693 839405358 /nfs/dbraw/zinc/40/53/58/839405358.db2.gz KTFKRFYIBGMCTA-KURKYZTESA-N 2 1 353.507 0.839 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2O)o1 ZINC001078262920 839433614 /nfs/dbraw/zinc/43/36/14/839433614.db2.gz VWUPHEMYCWMSPT-FVQBIDKESA-N 2 1 353.463 0.931 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)COC)C[C@H]2O)o1 ZINC001078262920 839433621 /nfs/dbraw/zinc/43/36/21/839433621.db2.gz VWUPHEMYCWMSPT-FVQBIDKESA-N 2 1 353.463 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC001078404359 839458481 /nfs/dbraw/zinc/45/84/81/839458481.db2.gz ZAPLYZUIYKRCQR-SOUVJXGZSA-N 2 1 367.519 0.976 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC001078404359 839458484 /nfs/dbraw/zinc/45/84/84/839458484.db2.gz ZAPLYZUIYKRCQR-SOUVJXGZSA-N 2 1 367.519 0.976 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080015784 839645623 /nfs/dbraw/zinc/64/56/23/839645623.db2.gz VORQXZQUFDLVIN-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080015784 839645628 /nfs/dbraw/zinc/64/56/28/839645628.db2.gz VORQXZQUFDLVIN-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)CC[NH+](C)CC)C1 ZINC001080015784 839645632 /nfs/dbraw/zinc/64/56/32/839645632.db2.gz VORQXZQUFDLVIN-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)CC[NH+](C)CC)C1 ZINC001080015784 839645637 /nfs/dbraw/zinc/64/56/37/839645637.db2.gz VORQXZQUFDLVIN-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001080019195 839647799 /nfs/dbraw/zinc/64/77/99/839647799.db2.gz DKAUGEAHIVZHKN-FVQBIDKESA-N 2 1 354.495 0.105 20 0 FCADMP CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001080019195 839647808 /nfs/dbraw/zinc/64/78/08/839647808.db2.gz DKAUGEAHIVZHKN-FVQBIDKESA-N 2 1 354.495 0.105 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288729 844458339 /nfs/dbraw/zinc/45/83/39/844458339.db2.gz RVHHTJLTLSJDPQ-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102294359 844459540 /nfs/dbraw/zinc/45/95/40/844459540.db2.gz UYPKGFDNESRMPX-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080142878 839672778 /nfs/dbraw/zinc/67/27/78/839672778.db2.gz MCWVGJPVJRADFW-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080142878 839672781 /nfs/dbraw/zinc/67/27/81/839672781.db2.gz MCWVGJPVJRADFW-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080142878 839672787 /nfs/dbraw/zinc/67/27/87/839672787.db2.gz MCWVGJPVJRADFW-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314409 844464911 /nfs/dbraw/zinc/46/49/11/844464911.db2.gz GTAIZFLJBAMWTK-VXGBXAGGSA-N 2 1 352.401 0.301 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314409 844464912 /nfs/dbraw/zinc/46/49/12/844464912.db2.gz GTAIZFLJBAMWTK-VXGBXAGGSA-N 2 1 352.401 0.301 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080457630 839729244 /nfs/dbraw/zinc/72/92/44/839729244.db2.gz GHCHBPWACWZSQE-IJEWVQPXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080457630 839729253 /nfs/dbraw/zinc/72/92/53/839729253.db2.gz GHCHBPWACWZSQE-IJEWVQPXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001080457630 839729261 /nfs/dbraw/zinc/72/92/61/839729261.db2.gz GHCHBPWACWZSQE-IJEWVQPXSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080457630 839729274 /nfs/dbraw/zinc/72/92/74/839729274.db2.gz GHCHBPWACWZSQE-IJEWVQPXSA-N 2 1 350.507 0.822 20 0 FCADMP CCN(C(=O)CC[NH+](C)CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080533466 839738537 /nfs/dbraw/zinc/73/85/37/839738537.db2.gz GFULZUCGFCEXFG-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)CC[NH+](C)CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080533466 839738543 /nfs/dbraw/zinc/73/85/43/839738543.db2.gz GFULZUCGFCEXFG-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080533466 839738549 /nfs/dbraw/zinc/73/85/49/839738549.db2.gz GFULZUCGFCEXFG-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001080533466 839738555 /nfs/dbraw/zinc/73/85/55/839738555.db2.gz GFULZUCGFCEXFG-GDBMZVCRSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558956 839746583 /nfs/dbraw/zinc/74/65/83/839746583.db2.gz MHOFRAACBJAKTQ-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558956 839746593 /nfs/dbraw/zinc/74/65/93/839746593.db2.gz MHOFRAACBJAKTQ-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080700011 839779924 /nfs/dbraw/zinc/77/99/24/839779924.db2.gz HXLHQMCBTJZDJE-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754810 839791563 /nfs/dbraw/zinc/79/15/63/839791563.db2.gz ZGZIBNAYFDCRBD-XYPHTWIQSA-N 2 1 350.507 0.809 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001102356576 844473739 /nfs/dbraw/zinc/47/37/39/844473739.db2.gz QCIRQWPSOUDTLT-OAGGEKHMSA-N 2 1 361.552 0.836 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001102356576 844473742 /nfs/dbraw/zinc/47/37/42/844473742.db2.gz QCIRQWPSOUDTLT-OAGGEKHMSA-N 2 1 361.552 0.836 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977099 839853120 /nfs/dbraw/zinc/85/31/20/839853120.db2.gz WCFBEMGRZFNKJA-BMFZPTHFSA-N 2 1 352.504 0.843 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977099 839853122 /nfs/dbraw/zinc/85/31/22/839853122.db2.gz WCFBEMGRZFNKJA-BMFZPTHFSA-N 2 1 352.504 0.843 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977099 839853124 /nfs/dbraw/zinc/85/31/24/839853124.db2.gz WCFBEMGRZFNKJA-BMFZPTHFSA-N 2 1 352.504 0.843 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2C)C1 ZINC001080977099 839853126 /nfs/dbraw/zinc/85/31/26/839853126.db2.gz WCFBEMGRZFNKJA-BMFZPTHFSA-N 2 1 352.504 0.843 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976995 839854022 /nfs/dbraw/zinc/85/40/22/839854022.db2.gz RLESURFELZTPKR-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976995 839854026 /nfs/dbraw/zinc/85/40/26/839854026.db2.gz RLESURFELZTPKR-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976995 839854035 /nfs/dbraw/zinc/85/40/35/839854035.db2.gz RLESURFELZTPKR-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2C)C1 ZINC001080976995 839854041 /nfs/dbraw/zinc/85/40/41/839854041.db2.gz RLESURFELZTPKR-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419804 844491343 /nfs/dbraw/zinc/49/13/43/844491343.db2.gz VKXCEXYHKQXISN-BZUAXINKSA-N 2 1 352.479 0.698 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419804 844491347 /nfs/dbraw/zinc/49/13/47/844491347.db2.gz VKXCEXYHKQXISN-BZUAXINKSA-N 2 1 352.479 0.698 20 0 FCADMP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686544 840000137 /nfs/dbraw/zinc/00/01/37/840000137.db2.gz ZFLCHVGJDCOELT-USXIJHARSA-N 2 1 351.495 0.920 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433722 844497075 /nfs/dbraw/zinc/49/70/75/844497075.db2.gz DKRVFNWDLYAHFG-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949370 840118999 /nfs/dbraw/zinc/11/89/99/840118999.db2.gz MEAJSNAFSKXRDJ-BZUAXINKSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949370 840119008 /nfs/dbraw/zinc/11/90/08/840119008.db2.gz MEAJSNAFSKXRDJ-BZUAXINKSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949181 840119884 /nfs/dbraw/zinc/11/98/84/840119884.db2.gz CCNZEDAVYBZMIA-GVDBMIGSSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949181 840119891 /nfs/dbraw/zinc/11/98/91/840119891.db2.gz CCNZEDAVYBZMIA-GVDBMIGSSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202313 840235523 /nfs/dbraw/zinc/23/55/23/840235523.db2.gz REBLZRIXYRJMNU-RCCFBDPRSA-N 2 1 353.507 0.960 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495873 844529654 /nfs/dbraw/zinc/52/96/54/844529654.db2.gz RDWCGIZBNUIZMU-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495873 844529656 /nfs/dbraw/zinc/52/96/56/844529656.db2.gz RDWCGIZBNUIZMU-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495873 844529660 /nfs/dbraw/zinc/52/96/60/844529660.db2.gz RDWCGIZBNUIZMU-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2OC)o1 ZINC001082392366 840384246 /nfs/dbraw/zinc/38/42/46/840384246.db2.gz FISGQDBCYMPUFS-YSVLISHTSA-N 2 1 353.463 0.931 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082450061 840416907 /nfs/dbraw/zinc/41/69/07/840416907.db2.gz UPGGKDPLVMMOFK-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520473 840446866 /nfs/dbraw/zinc/44/68/66/840446866.db2.gz ZAZXDJTZBWUDCT-DTZQCDIJSA-N 2 1 366.531 0.995 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515293 844545880 /nfs/dbraw/zinc/54/58/80/844545880.db2.gz NBIDYULHQLRCBC-RBSFLKMASA-N 2 1 350.463 0.453 20 0 FCADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001082561636 840466336 /nfs/dbraw/zinc/46/63/36/840466336.db2.gz GQGGXPLETHIBMY-HYVNUMGLSA-N 2 1 350.507 0.917 20 0 FCADMP CCc1noc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513718 844545027 /nfs/dbraw/zinc/54/50/27/844545027.db2.gz YPTBIXCPGQLJPJ-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP CCc1noc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513718 844545030 /nfs/dbraw/zinc/54/50/30/844545030.db2.gz YPTBIXCPGQLJPJ-ZIAGYGMSSA-N 2 1 353.467 0.394 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001082748526 840545683 /nfs/dbraw/zinc/54/56/83/840545683.db2.gz PQDHAKMCYFIQNV-KFWWJZLASA-N 2 1 351.499 0.750 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083086527 840698108 /nfs/dbraw/zinc/69/81/08/840698108.db2.gz RJHVYCTYXHRYKF-OWCLPIDISA-N 2 1 350.463 0.691 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083086527 840698113 /nfs/dbraw/zinc/69/81/13/840698113.db2.gz RJHVYCTYXHRYKF-OWCLPIDISA-N 2 1 350.463 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579221 844572639 /nfs/dbraw/zinc/57/26/39/844572639.db2.gz NXKFJJVMVMZJGH-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001083192905 840786511 /nfs/dbraw/zinc/78/65/11/840786511.db2.gz ULDQZLIPKZPSGU-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083192905 840786517 /nfs/dbraw/zinc/78/65/17/840786517.db2.gz ULDQZLIPKZPSGU-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083192905 840786521 /nfs/dbraw/zinc/78/65/21/840786521.db2.gz ULDQZLIPKZPSGU-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235123 840819199 /nfs/dbraw/zinc/81/91/99/840819199.db2.gz OCMHJZRHENCWQI-BHYGNILZSA-N 2 1 355.479 0.044 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cs1 ZINC001083274680 840854436 /nfs/dbraw/zinc/85/44/36/840854436.db2.gz VQMQHUHYRLYKDG-BHYGNILZSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)cs1 ZINC001083274680 840854440 /nfs/dbraw/zinc/85/44/40/840854440.db2.gz VQMQHUHYRLYKDG-BHYGNILZSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)cs1 ZINC001083274680 840854452 /nfs/dbraw/zinc/85/44/52/840854452.db2.gz VQMQHUHYRLYKDG-BHYGNILZSA-N 2 1 364.515 0.857 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)cs1 ZINC001083274680 840854464 /nfs/dbraw/zinc/85/44/64/840854464.db2.gz VQMQHUHYRLYKDG-BHYGNILZSA-N 2 1 364.515 0.857 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083274822 840856513 /nfs/dbraw/zinc/85/65/13/840856513.db2.gz AZZIGPWKLJIKFJ-IXDOHACOSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518632 841114577 /nfs/dbraw/zinc/11/45/77/841114577.db2.gz IZEJBCOLMGAXEC-UAGQMJEPSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518632 841114583 /nfs/dbraw/zinc/11/45/83/841114583.db2.gz IZEJBCOLMGAXEC-UAGQMJEPSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518632 841114588 /nfs/dbraw/zinc/11/45/88/841114588.db2.gz IZEJBCOLMGAXEC-UAGQMJEPSA-N 2 1 366.531 0.825 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083518632 841114594 /nfs/dbraw/zinc/11/45/94/841114594.db2.gz IZEJBCOLMGAXEC-UAGQMJEPSA-N 2 1 366.531 0.825 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522313 841120266 /nfs/dbraw/zinc/12/02/66/841120266.db2.gz BKNLPAPKTQIXMJ-MCIONIFRSA-N 2 1 354.401 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522313 841120274 /nfs/dbraw/zinc/12/02/74/841120274.db2.gz BKNLPAPKTQIXMJ-MCIONIFRSA-N 2 1 354.401 0.967 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573322 841187409 /nfs/dbraw/zinc/18/74/09/841187409.db2.gz FVKKXLZREOZRPG-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573322 841187413 /nfs/dbraw/zinc/18/74/13/841187413.db2.gz FVKKXLZREOZRPG-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573322 841187417 /nfs/dbraw/zinc/18/74/17/841187417.db2.gz FVKKXLZREOZRPG-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083573322 841187421 /nfs/dbraw/zinc/18/74/21/841187421.db2.gz FVKKXLZREOZRPG-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719446 841351752 /nfs/dbraw/zinc/35/17/52/841351752.db2.gz DKVRTOZFGOVNHT-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719446 841351757 /nfs/dbraw/zinc/35/17/57/841351757.db2.gz DKVRTOZFGOVNHT-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083719446 841351762 /nfs/dbraw/zinc/35/17/62/841351762.db2.gz DKVRTOZFGOVNHT-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778633 841424894 /nfs/dbraw/zinc/42/48/94/841424894.db2.gz SJCZNMMUZBEJQS-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778633 841424899 /nfs/dbraw/zinc/42/48/99/841424899.db2.gz SJCZNMMUZBEJQS-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083778633 841424903 /nfs/dbraw/zinc/42/49/03/841424903.db2.gz SJCZNMMUZBEJQS-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083833669 841479025 /nfs/dbraw/zinc/47/90/25/841479025.db2.gz OVXZLPGUFYDEKQ-MSOLQXFVSA-N 2 1 353.507 0.696 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001084059764 841673710 /nfs/dbraw/zinc/67/37/10/841673710.db2.gz XVWQXSKXLQSQAJ-IXDOHACOSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001084059764 841673719 /nfs/dbraw/zinc/67/37/19/841673719.db2.gz XVWQXSKXLQSQAJ-IXDOHACOSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450710 841797020 /nfs/dbraw/zinc/79/70/20/841797020.db2.gz VDFDGVDMXRYXFW-BRWVUGGUSA-N 2 1 353.507 0.912 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275878664 861242864 /nfs/dbraw/zinc/24/28/64/861242864.db2.gz MJZYLPOGGZZUJZ-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001275878664 861242876 /nfs/dbraw/zinc/24/28/76/861242876.db2.gz MJZYLPOGGZZUJZ-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001275878664 861242883 /nfs/dbraw/zinc/24/28/83/861242883.db2.gz MJZYLPOGGZZUJZ-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001275878664 861242891 /nfs/dbraw/zinc/24/28/91/861242891.db2.gz MJZYLPOGGZZUJZ-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275878662 861244637 /nfs/dbraw/zinc/24/46/37/861244637.db2.gz MJZYLPOGGZZUJZ-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001275878662 861244646 /nfs/dbraw/zinc/24/46/46/861244646.db2.gz MJZYLPOGGZZUJZ-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001275878662 861244654 /nfs/dbraw/zinc/24/46/54/861244654.db2.gz MJZYLPOGGZZUJZ-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001275878662 861244664 /nfs/dbraw/zinc/24/46/64/861244664.db2.gz MJZYLPOGGZZUJZ-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275880149 861247825 /nfs/dbraw/zinc/24/78/25/861247825.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 2 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275880149 861247841 /nfs/dbraw/zinc/24/78/41/861247841.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275880149 861247853 /nfs/dbraw/zinc/24/78/53/861247853.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275880149 861247871 /nfs/dbraw/zinc/24/78/71/861247871.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275880149 861247883 /nfs/dbraw/zinc/24/78/83/861247883.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 3 1 352.523 0.441 20 0 FCADMP COC(CN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O)OC ZINC001275881233 861247948 /nfs/dbraw/zinc/24/79/48/861247948.db2.gz YIUZQTQWIJMQJO-CRAIPNDOSA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O)OC ZINC001275881233 861247965 /nfs/dbraw/zinc/24/79/65/861247965.db2.gz YIUZQTQWIJMQJO-CRAIPNDOSA-N 2 1 355.479 0.250 20 0 FCADMP COC(CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O)OC ZINC001275881233 861247983 /nfs/dbraw/zinc/24/79/83/861247983.db2.gz YIUZQTQWIJMQJO-CRAIPNDOSA-N 2 1 355.479 0.250 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911431 841952698 /nfs/dbraw/zinc/95/26/98/841952698.db2.gz BPLPMODVVFOUPH-PVAVHDDUSA-N 2 1 364.515 0.939 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911431 841952702 /nfs/dbraw/zinc/95/27/02/841952702.db2.gz BPLPMODVVFOUPH-PVAVHDDUSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911431 841952708 /nfs/dbraw/zinc/95/27/08/841952708.db2.gz BPLPMODVVFOUPH-PVAVHDDUSA-N 2 1 364.515 0.939 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCc4ccns4)[C@H]3C2)C1 ZINC001084911431 841952712 /nfs/dbraw/zinc/95/27/12/841952712.db2.gz BPLPMODVVFOUPH-PVAVHDDUSA-N 2 1 364.515 0.939 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)CC[N@H+]1C ZINC001084944829 841964243 /nfs/dbraw/zinc/96/42/43/841964243.db2.gz PVOOXNPYJYINAF-TWMKSMIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)CC[NH+]1C ZINC001084944829 841964249 /nfs/dbraw/zinc/96/42/49/841964249.db2.gz PVOOXNPYJYINAF-TWMKSMIVSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)CC[NH+]1C ZINC001084944829 841964257 /nfs/dbraw/zinc/96/42/57/841964257.db2.gz PVOOXNPYJYINAF-TWMKSMIVSA-N 2 1 350.507 0.728 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067045 842005168 /nfs/dbraw/zinc/00/51/68/842005168.db2.gz JWYPVYFKRBMSMO-WBVHZDCISA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085152575 842028536 /nfs/dbraw/zinc/02/85/36/842028536.db2.gz JEMPOIHYFCGFQD-RBSFLKMASA-N 2 1 352.458 0.859 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085152575 842028553 /nfs/dbraw/zinc/02/85/53/842028553.db2.gz JEMPOIHYFCGFQD-RBSFLKMASA-N 2 1 352.458 0.859 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085152667 842029140 /nfs/dbraw/zinc/02/91/40/842029140.db2.gz MXNDRLJFHPBTRG-RBSFLKMASA-N 2 1 350.463 0.247 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085393948 842092903 /nfs/dbraw/zinc/09/29/03/842092903.db2.gz PEUAWPJFYIDOQS-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001085421871 842097988 /nfs/dbraw/zinc/09/79/88/842097988.db2.gz ACBXVGMTQXFAJA-BFHYXJOUSA-N 2 1 350.467 0.604 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001085421871 842097993 /nfs/dbraw/zinc/09/79/93/842097993.db2.gz ACBXVGMTQXFAJA-BFHYXJOUSA-N 2 1 350.467 0.604 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085606034 842108645 /nfs/dbraw/zinc/10/86/45/842108645.db2.gz BCJRPPQKWMTUGF-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001085606034 842108649 /nfs/dbraw/zinc/10/86/49/842108649.db2.gz BCJRPPQKWMTUGF-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606034 842108654 /nfs/dbraw/zinc/10/86/54/842108654.db2.gz BCJRPPQKWMTUGF-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606034 842108660 /nfs/dbraw/zinc/10/86/60/842108660.db2.gz BCJRPPQKWMTUGF-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086371334 842128159 /nfs/dbraw/zinc/12/81/59/842128159.db2.gz CHYDVPVEZDGIGI-WRQOLXDDSA-N 2 1 371.547 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001086371313 842128539 /nfs/dbraw/zinc/12/85/39/842128539.db2.gz AYABSCZETKNQBD-YIDVYQOGSA-N 2 1 357.520 0.246 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001086658896 842143778 /nfs/dbraw/zinc/14/37/78/842143778.db2.gz DIAWIIHTKRCBHB-BFHYXJOUSA-N 2 1 350.467 0.604 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001086658896 842143783 /nfs/dbraw/zinc/14/37/83/842143783.db2.gz DIAWIIHTKRCBHB-BFHYXJOUSA-N 2 1 350.467 0.604 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087034588 842231122 /nfs/dbraw/zinc/23/11/22/842231122.db2.gz MRABHRHGJZXMKO-FGTMMUONSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087035091 842232251 /nfs/dbraw/zinc/23/22/51/842232251.db2.gz LEFWIXKQKMKKFK-VHDGCEQUSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087035091 842232260 /nfs/dbraw/zinc/23/22/60/842232260.db2.gz LEFWIXKQKMKKFK-VHDGCEQUSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087035095 842232429 /nfs/dbraw/zinc/23/24/29/842232429.db2.gz LFQYXHDWJMIHAY-MGPQQGTHSA-N 2 1 353.492 0.585 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059461 842254953 /nfs/dbraw/zinc/25/49/53/842254953.db2.gz HCWBJVWHUBEMKA-LZLYRXPVSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059460 842255267 /nfs/dbraw/zinc/25/52/67/842255267.db2.gz HCWBJVWHUBEMKA-JFIYKMOQSA-N 2 1 353.507 0.960 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]C(C)C ZINC001087059876 842255858 /nfs/dbraw/zinc/25/58/58/842255858.db2.gz YNEUEFNSJAYHGR-IXDOHACOSA-N 2 1 351.495 0.675 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087062943 842259850 /nfs/dbraw/zinc/25/98/50/842259850.db2.gz BNCIPUUIMLZVCZ-QLFBSQMISA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087066645 842262047 /nfs/dbraw/zinc/26/20/47/842262047.db2.gz MSEBRRGXTBVDPH-GVDBMIGSSA-N 2 1 350.463 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087100397 842289306 /nfs/dbraw/zinc/28/93/06/842289306.db2.gz RDLRUKDHMMVPPO-ARFHVFGLSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCN1CCNC1=O ZINC001087711957 842411354 /nfs/dbraw/zinc/41/13/54/842411354.db2.gz IBCFGOIEPMLOQJ-JKSUJKDBSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087749931 842421753 /nfs/dbraw/zinc/42/17/53/842421753.db2.gz INRMGKZDRXZVDE-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088003120 842497968 /nfs/dbraw/zinc/49/79/68/842497968.db2.gz KLDQPVMENAPQSO-VKJFTORMSA-N 2 1 350.507 0.632 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026516 842508512 /nfs/dbraw/zinc/50/85/12/842508512.db2.gz OIEVADKWUFYQSU-CVEARBPZSA-N 2 1 369.531 0.440 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026516 842508520 /nfs/dbraw/zinc/50/85/20/842508520.db2.gz OIEVADKWUFYQSU-CVEARBPZSA-N 2 1 369.531 0.440 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130190 842538467 /nfs/dbraw/zinc/53/84/67/842538467.db2.gz AEIILDJCFUNORX-IKGGRYGDSA-N 2 1 350.507 0.763 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001088150697 842544127 /nfs/dbraw/zinc/54/41/27/842544127.db2.gz RKVHIOQXARVLDT-SJORKVTESA-N 2 1 371.547 0.543 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)CC[C@@H]3C2)CC1 ZINC001088150697 842544135 /nfs/dbraw/zinc/54/41/35/842544135.db2.gz RKVHIOQXARVLDT-SJORKVTESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1C ZINC001088605647 842625946 /nfs/dbraw/zinc/62/59/46/842625946.db2.gz ZKUHIXHMKOSMGP-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088605647 842625948 /nfs/dbraw/zinc/62/59/48/842625948.db2.gz ZKUHIXHMKOSMGP-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088605647 842625952 /nfs/dbraw/zinc/62/59/52/842625952.db2.gz ZKUHIXHMKOSMGP-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088835703 842690844 /nfs/dbraw/zinc/69/08/44/842690844.db2.gz JMGGOMGVUUVPPT-FMKPAKJESA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088835703 842690851 /nfs/dbraw/zinc/69/08/51/842690851.db2.gz JMGGOMGVUUVPPT-FMKPAKJESA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088835704 842690865 /nfs/dbraw/zinc/69/08/65/842690865.db2.gz JMGGOMGVUUVPPT-YCPHGPKFSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088835704 842690870 /nfs/dbraw/zinc/69/08/70/842690870.db2.gz JMGGOMGVUUVPPT-YCPHGPKFSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001088980809 842734060 /nfs/dbraw/zinc/73/40/60/842734060.db2.gz SMBHINRJGITWCM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001088980809 842734066 /nfs/dbraw/zinc/73/40/66/842734066.db2.gz SMBHINRJGITWCM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001088980809 842734076 /nfs/dbraw/zinc/73/40/76/842734076.db2.gz SMBHINRJGITWCM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001088980809 842734079 /nfs/dbraw/zinc/73/40/79/842734079.db2.gz SMBHINRJGITWCM-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001089588236 842773894 /nfs/dbraw/zinc/77/38/94/842773894.db2.gz GSTYEVVXCSMPHH-VNQPRFMTSA-N 2 1 350.467 0.269 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001089588236 842773900 /nfs/dbraw/zinc/77/39/00/842773900.db2.gz GSTYEVVXCSMPHH-VNQPRFMTSA-N 2 1 350.467 0.269 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001091039126 842936961 /nfs/dbraw/zinc/93/69/61/842936961.db2.gz NSYANTALYHTHAG-SSHXOBKSSA-N 2 1 351.495 0.226 20 0 FCADMP COc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001091097027 842960995 /nfs/dbraw/zinc/96/09/95/842960995.db2.gz HAGXUYJNUYNHGG-XZNOPERXSA-N 2 1 368.503 0.855 20 0 FCADMP COc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001091097027 842961002 /nfs/dbraw/zinc/96/10/02/842961002.db2.gz HAGXUYJNUYNHGG-XZNOPERXSA-N 2 1 368.503 0.855 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001091154012 842986728 /nfs/dbraw/zinc/98/67/28/842986728.db2.gz WJBMTQHJSAROAX-KFWWJZLASA-N 2 1 353.442 0.439 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091686364 843073551 /nfs/dbraw/zinc/07/35/51/843073551.db2.gz DSUSXJCZTGTSDM-HPFXQQBRSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091686364 843073565 /nfs/dbraw/zinc/07/35/65/843073565.db2.gz DSUSXJCZTGTSDM-HPFXQQBRSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686364 843073579 /nfs/dbraw/zinc/07/35/79/843073579.db2.gz DSUSXJCZTGTSDM-HPFXQQBRSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686364 843073582 /nfs/dbraw/zinc/07/35/82/843073582.db2.gz DSUSXJCZTGTSDM-HPFXQQBRSA-N 2 1 371.547 0.542 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780714 843093066 /nfs/dbraw/zinc/09/30/66/843093066.db2.gz XNZMWRXKQCVHPI-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975760 843131944 /nfs/dbraw/zinc/13/19/44/843131944.db2.gz WWHKOWKSWLWVMF-OGWOLHLISA-N 2 1 350.507 0.585 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975759 843132385 /nfs/dbraw/zinc/13/23/85/843132385.db2.gz WWHKOWKSWLWVMF-GMBSWORKSA-N 2 1 350.507 0.585 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010506 843139829 /nfs/dbraw/zinc/13/98/29/843139829.db2.gz FPCULIJXRXFPTN-UXLLHSPISA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010506 843139833 /nfs/dbraw/zinc/13/98/33/843139833.db2.gz FPCULIJXRXFPTN-UXLLHSPISA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010506 843139839 /nfs/dbraw/zinc/13/98/39/843139839.db2.gz FPCULIJXRXFPTN-UXLLHSPISA-N 2 1 357.520 0.296 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092010506 843139846 /nfs/dbraw/zinc/13/98/46/843139846.db2.gz FPCULIJXRXFPTN-UXLLHSPISA-N 2 1 357.520 0.296 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302311 843182493 /nfs/dbraw/zinc/18/24/93/843182493.db2.gz YEQIDYQVMAHFDK-GJYPPUQNSA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302312 843182617 /nfs/dbraw/zinc/18/26/17/843182617.db2.gz YEQIDYQVMAHFDK-MDZRGWNJSA-N 2 1 350.507 0.907 20 0 FCADMP Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092522841 843227606 /nfs/dbraw/zinc/22/76/06/843227606.db2.gz WBDUKUQNSZCFLP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092522841 843227615 /nfs/dbraw/zinc/22/76/15/843227615.db2.gz WBDUKUQNSZCFLP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092522841 843227626 /nfs/dbraw/zinc/22/76/26/843227626.db2.gz WBDUKUQNSZCFLP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092522841 843227638 /nfs/dbraw/zinc/22/76/38/843227638.db2.gz WBDUKUQNSZCFLP-XNRPHZJLSA-N 2 1 352.504 0.966 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650573 843265846 /nfs/dbraw/zinc/26/58/46/843265846.db2.gz FJEXOCPFKZMLHW-TZMCWYRMSA-N 2 1 352.504 0.853 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658457 843268713 /nfs/dbraw/zinc/26/87/13/843268713.db2.gz VWOQABCEGFPQLA-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658457 843268726 /nfs/dbraw/zinc/26/87/26/843268726.db2.gz VWOQABCEGFPQLA-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001092658457 843268736 /nfs/dbraw/zinc/26/87/36/843268736.db2.gz VWOQABCEGFPQLA-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP COCCC[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276315815 861409114 /nfs/dbraw/zinc/40/91/14/861409114.db2.gz NICZKSFNHVSNAP-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP COCCC[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276315815 861409123 /nfs/dbraw/zinc/40/91/23/861409123.db2.gz NICZKSFNHVSNAP-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP COCCC[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276315815 861409130 /nfs/dbraw/zinc/40/91/30/861409130.db2.gz NICZKSFNHVSNAP-LJQANCHMSA-N 2 1 352.523 0.727 20 0 FCADMP COCCC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276316146 861408750 /nfs/dbraw/zinc/40/87/50/861408750.db2.gz RSFHTZNOWAKUBW-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP COCCC[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276316146 861408757 /nfs/dbraw/zinc/40/87/57/861408757.db2.gz RSFHTZNOWAKUBW-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP COCCC[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276316146 861408762 /nfs/dbraw/zinc/40/87/62/861408762.db2.gz RSFHTZNOWAKUBW-IBGZPJMESA-N 2 1 352.523 0.585 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001093093391 843387404 /nfs/dbraw/zinc/38/74/04/843387404.db2.gz GAQPRTHWNGJLOB-NVXWUHKLSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194924 843404629 /nfs/dbraw/zinc/40/46/29/843404629.db2.gz GOSVFTMUMRWFQJ-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194924 843404633 /nfs/dbraw/zinc/40/46/33/843404633.db2.gz GOSVFTMUMRWFQJ-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194924 843404636 /nfs/dbraw/zinc/40/46/36/843404636.db2.gz GOSVFTMUMRWFQJ-OWCLPIDISA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208785 843406903 /nfs/dbraw/zinc/40/69/03/843406903.db2.gz GOHBLWQCKRMCLZ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208785 843406910 /nfs/dbraw/zinc/40/69/10/843406910.db2.gz GOHBLWQCKRMCLZ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208785 843406917 /nfs/dbraw/zinc/40/69/17/843406917.db2.gz GOHBLWQCKRMCLZ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2C)C1 ZINC001093208785 843406924 /nfs/dbraw/zinc/40/69/24/843406924.db2.gz GOHBLWQCKRMCLZ-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208969 843407453 /nfs/dbraw/zinc/40/74/53/843407453.db2.gz MLXWYMGLVXZEKF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208969 843407456 /nfs/dbraw/zinc/40/74/56/843407456.db2.gz MLXWYMGLVXZEKF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208969 843407463 /nfs/dbraw/zinc/40/74/63/843407463.db2.gz MLXWYMGLVXZEKF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2C)C1 ZINC001093208969 843407471 /nfs/dbraw/zinc/40/74/71/843407471.db2.gz MLXWYMGLVXZEKF-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093280273 843420148 /nfs/dbraw/zinc/42/01/48/843420148.db2.gz MRYJNRFULMOQEL-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451295 843435298 /nfs/dbraw/zinc/43/52/98/843435298.db2.gz SNJDBZAYLIXDJI-PSBWJHGTSA-N 2 1 353.507 0.429 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691458 843456994 /nfs/dbraw/zinc/45/69/94/843456994.db2.gz WRAFBLRSVBWDFN-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691458 843457000 /nfs/dbraw/zinc/45/70/00/843457000.db2.gz WRAFBLRSVBWDFN-YUELXQCFSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857712 843479521 /nfs/dbraw/zinc/47/95/21/843479521.db2.gz TTYRCQDGWPHZBB-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857712 843479528 /nfs/dbraw/zinc/47/95/28/843479528.db2.gz TTYRCQDGWPHZBB-GKLJAUDBSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001093857570 843480334 /nfs/dbraw/zinc/48/03/34/843480334.db2.gz LREIZVRPUUSMEV-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001093857570 843480344 /nfs/dbraw/zinc/48/03/44/843480344.db2.gz LREIZVRPUUSMEV-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001094111118 843517490 /nfs/dbraw/zinc/51/74/90/843517490.db2.gz XYBXWQDIJAJHTJ-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001094219014 843530680 /nfs/dbraw/zinc/53/06/80/843530680.db2.gz BLTGTAVZMJCRTE-MGPQQGTHSA-N 2 1 366.535 0.740 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001094219014 843530693 /nfs/dbraw/zinc/53/06/93/843530693.db2.gz BLTGTAVZMJCRTE-MGPQQGTHSA-N 2 1 366.535 0.740 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)C1 ZINC001094231922 843536590 /nfs/dbraw/zinc/53/65/90/843536590.db2.gz FFFYOVMYGWAJIO-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)C1 ZINC001094231922 843536598 /nfs/dbraw/zinc/53/65/98/843536598.db2.gz FFFYOVMYGWAJIO-NXHRZFHOSA-N 2 1 353.507 0.818 20 0 FCADMP COC(=O)c1csc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276448505 861451943 /nfs/dbraw/zinc/45/19/43/861451943.db2.gz BEFWLIFNWDSPLD-QGZVFWFLSA-N 2 1 366.487 0.916 20 0 FCADMP COC(=O)c1csc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276448505 861451952 /nfs/dbraw/zinc/45/19/52/861451952.db2.gz BEFWLIFNWDSPLD-QGZVFWFLSA-N 2 1 366.487 0.916 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cnon3)CC2)CC[N@@H+]1C ZINC001098370974 843911166 /nfs/dbraw/zinc/91/11/66/843911166.db2.gz DTFCXUIRZPBFDD-CZUORRHYSA-N 2 1 351.451 0.195 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cnon3)CC2)CC[N@H+]1C ZINC001098370974 843911169 /nfs/dbraw/zinc/91/11/69/843911169.db2.gz DTFCXUIRZPBFDD-CZUORRHYSA-N 2 1 351.451 0.195 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3cnon3)CC2)CC[NH+]1C ZINC001098370974 843911173 /nfs/dbraw/zinc/91/11/73/843911173.db2.gz DTFCXUIRZPBFDD-CZUORRHYSA-N 2 1 351.451 0.195 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3cnon3)CC2)CC[NH+]1C ZINC001098370974 843911177 /nfs/dbraw/zinc/91/11/77/843911177.db2.gz DTFCXUIRZPBFDD-CZUORRHYSA-N 2 1 351.451 0.195 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001099223135 843978766 /nfs/dbraw/zinc/97/87/66/843978766.db2.gz GBDAEMDLDCCBJI-JHJVBQTASA-N 2 1 362.396 0.292 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001099223135 843978768 /nfs/dbraw/zinc/97/87/68/843978768.db2.gz GBDAEMDLDCCBJI-JHJVBQTASA-N 2 1 362.396 0.292 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819427 844652374 /nfs/dbraw/zinc/65/23/74/844652374.db2.gz TWJAERYMCGQWDW-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819427 844652378 /nfs/dbraw/zinc/65/23/78/844652378.db2.gz TWJAERYMCGQWDW-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819427 844652381 /nfs/dbraw/zinc/65/23/81/844652381.db2.gz TWJAERYMCGQWDW-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819427 844652386 /nfs/dbraw/zinc/65/23/86/844652386.db2.gz TWJAERYMCGQWDW-BPLDGKMQSA-N 2 1 367.519 0.751 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103060533 844694046 /nfs/dbraw/zinc/69/40/46/844694046.db2.gz RFRZXOPQGDHBET-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103060533 844694049 /nfs/dbraw/zinc/69/40/49/844694049.db2.gz RFRZXOPQGDHBET-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103060533 844694054 /nfs/dbraw/zinc/69/40/54/844694054.db2.gz RFRZXOPQGDHBET-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C)[NH+](C)C ZINC001103111628 844703080 /nfs/dbraw/zinc/70/30/80/844703080.db2.gz FKUXHSGEMNJKMY-INMHGKMJSA-N 2 1 350.511 0.976 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185652 844718725 /nfs/dbraw/zinc/71/87/25/844718725.db2.gz JCWKZVZDSFGOPT-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)[NH+](C)C ZINC001103408527 844751768 /nfs/dbraw/zinc/75/17/68/844751768.db2.gz GMBZKGQULZVMED-BRWVUGGUSA-N 2 1 350.511 0.939 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438669 844759329 /nfs/dbraw/zinc/75/93/29/844759329.db2.gz VTZDEXFLQUQRKO-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438669 844759336 /nfs/dbraw/zinc/75/93/36/844759336.db2.gz VTZDEXFLQUQRKO-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438669 844759346 /nfs/dbraw/zinc/75/93/46/844759346.db2.gz VTZDEXFLQUQRKO-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001103612849 844787112 /nfs/dbraw/zinc/78/71/12/844787112.db2.gz XRBGVXAJUMHHJP-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103612849 844787119 /nfs/dbraw/zinc/78/71/19/844787119.db2.gz XRBGVXAJUMHHJP-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103612849 844787126 /nfs/dbraw/zinc/78/71/26/844787126.db2.gz XRBGVXAJUMHHJP-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642266 844793787 /nfs/dbraw/zinc/79/37/87/844793787.db2.gz XHKYSXFRWULXHQ-HZPDHXFCSA-N 2 1 351.495 0.573 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103663573 844797787 /nfs/dbraw/zinc/79/77/87/844797787.db2.gz IEAHWZMUFAWAME-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103663573 844797779 /nfs/dbraw/zinc/79/77/79/844797779.db2.gz IEAHWZMUFAWAME-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001103663573 844797796 /nfs/dbraw/zinc/79/77/96/844797796.db2.gz IEAHWZMUFAWAME-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP Cc1oncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034194 844856098 /nfs/dbraw/zinc/85/60/98/844856098.db2.gz XEIVPPOZGPPRFC-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP Cc1oncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034194 844856102 /nfs/dbraw/zinc/85/61/02/844856102.db2.gz XEIVPPOZGPPRFC-FRFSOERESA-N 2 1 350.463 0.888 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104311162 844893547 /nfs/dbraw/zinc/89/35/47/844893547.db2.gz VHGOPUNWTOPNFE-KURKYZTESA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104353794 844896746 /nfs/dbraw/zinc/89/67/46/844896746.db2.gz IFXRZYLGOBLTQB-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104376343 844903661 /nfs/dbraw/zinc/90/36/61/844903661.db2.gz ALXCQALEKLBYND-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422304 844910239 /nfs/dbraw/zinc/91/02/39/844910239.db2.gz LDJJALNUMZBGKU-NVXWUHKLSA-N 2 1 352.479 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCCO ZINC001104433508 844911389 /nfs/dbraw/zinc/91/13/89/844911389.db2.gz HMLAHILRAKOMQZ-QCZOYZIOSA-N 2 1 351.491 0.306 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C2)C1 ZINC001104573322 844922346 /nfs/dbraw/zinc/92/23/46/844922346.db2.gz RDNADXJORASBDF-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1CC[NH2+]CCO ZINC001104682629 844932313 /nfs/dbraw/zinc/93/23/13/844932313.db2.gz XSSVPGZKGRJJBJ-HUUCEWRRSA-N 2 1 350.463 0.951 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104682957 844932616 /nfs/dbraw/zinc/93/26/16/844932616.db2.gz DKLPVEDLVHSBJY-IAGOWNOFSA-N 2 1 355.523 0.801 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104681010 844932662 /nfs/dbraw/zinc/93/26/62/844932662.db2.gz BFPWGNCKPNHUAF-LBTNJELSSA-N 2 1 356.486 0.758 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104681008 844932854 /nfs/dbraw/zinc/93/28/54/844932854.db2.gz BFPWGNCKPNHUAF-HBUWYVDXSA-N 2 1 356.486 0.758 20 0 FCADMP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001104793964 844944812 /nfs/dbraw/zinc/94/48/12/844944812.db2.gz RJLDPTSMWXUSCU-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105666913 845013699 /nfs/dbraw/zinc/01/36/99/845013699.db2.gz LBGFUPWASQLBBA-PSBWJHGTSA-N 2 1 355.523 0.677 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942088 845063886 /nfs/dbraw/zinc/06/38/86/845063886.db2.gz XTGOOZMXMNKQJL-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001105945845 845065102 /nfs/dbraw/zinc/06/51/02/845065102.db2.gz GMQOOASUIFBJNU-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106112227 845102104 /nfs/dbraw/zinc/10/21/04/845102104.db2.gz YVPBACWQTKIFBE-INMHGKMJSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106112276 845102495 /nfs/dbraw/zinc/10/24/95/845102495.db2.gz IPNZHKVOVOSIAD-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106255680 845144474 /nfs/dbraw/zinc/14/44/74/845144474.db2.gz DVDMTDWMYDLDKB-QLFBSQMISA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106322106 845154188 /nfs/dbraw/zinc/15/41/88/845154188.db2.gz JTVJKBZCQBAIGE-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433871 845174902 /nfs/dbraw/zinc/17/49/02/845174902.db2.gz UOLXODMWEDOWHG-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106574242 845197891 /nfs/dbraw/zinc/19/78/91/845197891.db2.gz CUSXDRAIJSPHGP-BFYDXBDKSA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106715825 845231160 /nfs/dbraw/zinc/23/11/60/845231160.db2.gz LUVLUTVZDCJRMW-HUUCEWRRSA-N 2 1 370.519 0.735 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106716190 845231247 /nfs/dbraw/zinc/23/12/47/845231247.db2.gz ZGBHAYURLAUVET-HZPDHXFCSA-N 2 1 352.479 0.700 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106839386 845264023 /nfs/dbraw/zinc/26/40/23/845264023.db2.gz FKLSHLKAWAXCHL-BFYDXBDKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106874663 845275978 /nfs/dbraw/zinc/27/59/78/845275978.db2.gz ORVNIQKBDMVLRS-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874777 845276044 /nfs/dbraw/zinc/27/60/44/845276044.db2.gz SKKLEFLDQFNFAT-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874832 845276400 /nfs/dbraw/zinc/27/64/00/845276400.db2.gz UZBXISFNTBNJRT-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP Cc1nc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)no1 ZINC001106880912 845277701 /nfs/dbraw/zinc/27/77/01/845277701.db2.gz QPDYNDDKOYOOIT-VNHYZAJKSA-N 2 1 353.467 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106881836 845278458 /nfs/dbraw/zinc/27/84/58/845278458.db2.gz LVGPRVICICEVEZ-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106981699 845300221 /nfs/dbraw/zinc/30/02/21/845300221.db2.gz ZNNJQBPJEXFTRE-BZUAXINKSA-N 2 1 371.547 0.447 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521015 845390253 /nfs/dbraw/zinc/39/02/53/845390253.db2.gz HETURQLCXQXDJH-CRAIPNDOSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCCC1 ZINC001109289923 845616503 /nfs/dbraw/zinc/61/65/03/845616503.db2.gz ROMQJKFWCZVHOF-IKGGRYGDSA-N 2 1 353.507 0.981 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109417644 845648707 /nfs/dbraw/zinc/64/87/07/845648707.db2.gz IKTLHAKDNHRBNV-FZKCQIBNSA-N 2 1 372.535 0.132 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109417644 845648715 /nfs/dbraw/zinc/64/87/15/845648715.db2.gz IKTLHAKDNHRBNV-FZKCQIBNSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109417644 845648721 /nfs/dbraw/zinc/64/87/21/845648721.db2.gz IKTLHAKDNHRBNV-FZKCQIBNSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109417644 845648726 /nfs/dbraw/zinc/64/87/26/845648726.db2.gz IKTLHAKDNHRBNV-FZKCQIBNSA-N 2 1 372.535 0.132 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001109463997 845665940 /nfs/dbraw/zinc/66/59/40/845665940.db2.gz HEMWMVNHDKLRMC-ZOBORPQBSA-N 2 1 350.463 0.243 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001109463997 845665944 /nfs/dbraw/zinc/66/59/44/845665944.db2.gz HEMWMVNHDKLRMC-ZOBORPQBSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109463997 845665946 /nfs/dbraw/zinc/66/59/46/845665946.db2.gz HEMWMVNHDKLRMC-ZOBORPQBSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109463997 845665951 /nfs/dbraw/zinc/66/59/51/845665951.db2.gz HEMWMVNHDKLRMC-ZOBORPQBSA-N 2 1 350.463 0.243 20 0 FCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646134 845703861 /nfs/dbraw/zinc/70/38/61/845703861.db2.gz KKUIVQMCANJAPQ-UGUYLWEFSA-N 2 1 351.447 0.684 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646134 845703865 /nfs/dbraw/zinc/70/38/65/845703865.db2.gz KKUIVQMCANJAPQ-UGUYLWEFSA-N 2 1 351.447 0.684 20 0 FCADMP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654056 845705906 /nfs/dbraw/zinc/70/59/06/845705906.db2.gz UAGZARPEYJTVCO-PMPSAXMXSA-N 2 1 374.551 0.331 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109845204 845747142 /nfs/dbraw/zinc/74/71/42/845747142.db2.gz YZAMMPGYANRTIA-IKGGRYGDSA-N 2 1 350.463 0.702 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109845204 845747144 /nfs/dbraw/zinc/74/71/44/845747144.db2.gz YZAMMPGYANRTIA-IKGGRYGDSA-N 2 1 350.463 0.702 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCO1 ZINC001109847834 845747439 /nfs/dbraw/zinc/74/74/39/845747439.db2.gz JFDREIZLYHKJIX-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCO1 ZINC001109847834 845747441 /nfs/dbraw/zinc/74/74/41/845747441.db2.gz JFDREIZLYHKJIX-OWSLCNJRSA-N 2 1 351.491 0.999 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001110575446 845922316 /nfs/dbraw/zinc/92/23/16/845922316.db2.gz MSCCWWKYXJQPBJ-QCODTGAPSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001110575446 845922320 /nfs/dbraw/zinc/92/23/20/845922320.db2.gz MSCCWWKYXJQPBJ-QCODTGAPSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001110575446 845922326 /nfs/dbraw/zinc/92/23/26/845922326.db2.gz MSCCWWKYXJQPBJ-QCODTGAPSA-N 2 1 350.507 0.963 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001110575446 845922330 /nfs/dbraw/zinc/92/23/30/845922330.db2.gz MSCCWWKYXJQPBJ-QCODTGAPSA-N 2 1 350.507 0.963 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666262 845945049 /nfs/dbraw/zinc/94/50/49/845945049.db2.gz FLCVHTLMPQUDFC-CBZIJGRNSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666262 845945057 /nfs/dbraw/zinc/94/50/57/845945057.db2.gz FLCVHTLMPQUDFC-CBZIJGRNSA-N 2 1 350.507 0.915 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110981498 846007235 /nfs/dbraw/zinc/00/72/35/846007235.db2.gz SYVHYTZVYCFEHS-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110981498 846007241 /nfs/dbraw/zinc/00/72/41/846007241.db2.gz SYVHYTZVYCFEHS-FPCVCCKLSA-N 2 1 357.520 0.484 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCNC(=O)CC1 ZINC001111234003 846065823 /nfs/dbraw/zinc/06/58/23/846065823.db2.gz ZJZRJLSGHGEBTP-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111234003 846065827 /nfs/dbraw/zinc/06/58/27/846065827.db2.gz ZJZRJLSGHGEBTP-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111234003 846065832 /nfs/dbraw/zinc/06/58/32/846065832.db2.gz ZJZRJLSGHGEBTP-VQHPVUNQSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111307630 846082424 /nfs/dbraw/zinc/08/24/24/846082424.db2.gz ODKYPZAEQMVOLB-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111307630 846082434 /nfs/dbraw/zinc/08/24/34/846082434.db2.gz ODKYPZAEQMVOLB-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111307630 846082445 /nfs/dbraw/zinc/08/24/45/846082445.db2.gz ODKYPZAEQMVOLB-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111307630 846082461 /nfs/dbraw/zinc/08/24/61/846082461.db2.gz ODKYPZAEQMVOLB-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111766943 846196186 /nfs/dbraw/zinc/19/61/86/846196186.db2.gz JLAQVQWONFHJKF-BQFCYCMXSA-N 2 1 359.486 0.646 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2)[NH+](C)C ZINC001111788606 846205625 /nfs/dbraw/zinc/20/56/25/846205625.db2.gz HYXLVPOHTSUGNF-GMBSWORKSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCCC1)C2 ZINC001111861362 846235636 /nfs/dbraw/zinc/23/56/36/846235636.db2.gz JJLWPYJUFFPXKI-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870975 846240446 /nfs/dbraw/zinc/24/04/46/846240446.db2.gz VMOCJADRGKVUBS-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870975 846240459 /nfs/dbraw/zinc/24/04/59/846240459.db2.gz VMOCJADRGKVUBS-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870975 846240476 /nfs/dbraw/zinc/24/04/76/846240476.db2.gz VMOCJADRGKVUBS-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870975 846240488 /nfs/dbraw/zinc/24/04/88/846240488.db2.gz VMOCJADRGKVUBS-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938141 846267153 /nfs/dbraw/zinc/26/71/53/846267153.db2.gz MVUHDZKFIASESX-LPHOPBHVSA-N 2 1 351.491 0.716 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCN1CCCC1=O)C2 ZINC001111949837 846272382 /nfs/dbraw/zinc/27/23/82/846272382.db2.gz WJMFYDOBLQLGPC-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111949837 846272394 /nfs/dbraw/zinc/27/23/94/846272394.db2.gz WJMFYDOBLQLGPC-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111949837 846272403 /nfs/dbraw/zinc/27/24/03/846272403.db2.gz WJMFYDOBLQLGPC-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983534 846280719 /nfs/dbraw/zinc/28/07/19/846280719.db2.gz MMFIZLPYIAMKPS-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983534 846280731 /nfs/dbraw/zinc/28/07/31/846280731.db2.gz MMFIZLPYIAMKPS-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983534 846280744 /nfs/dbraw/zinc/28/07/44/846280744.db2.gz MMFIZLPYIAMKPS-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983534 846280757 /nfs/dbraw/zinc/28/07/57/846280757.db2.gz MMFIZLPYIAMKPS-GJYPPUQNSA-N 2 1 350.507 0.681 20 0 FCADMP CCC(=O)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276873932 861663525 /nfs/dbraw/zinc/66/35/25/861663525.db2.gz ZDCZPGMSESJYPS-LJQANCHMSA-N 2 1 350.507 0.527 20 0 FCADMP CCC(=O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276873932 861663527 /nfs/dbraw/zinc/66/35/27/861663527.db2.gz ZDCZPGMSESJYPS-LJQANCHMSA-N 2 1 350.507 0.527 20 0 FCADMP CCC(=O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276873932 861663530 /nfs/dbraw/zinc/66/35/30/861663530.db2.gz ZDCZPGMSESJYPS-LJQANCHMSA-N 2 1 350.507 0.527 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C(F)(F)F ZINC001112102430 846382186 /nfs/dbraw/zinc/38/21/86/846382186.db2.gz INNYYCLUGIQXQN-YNEHKIRRSA-N 2 1 362.396 0.053 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112116970 846396309 /nfs/dbraw/zinc/39/63/09/846396309.db2.gz LAIPFKVNIRZKPY-YNEHKIRRSA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112116970 846396322 /nfs/dbraw/zinc/39/63/22/846396322.db2.gz LAIPFKVNIRZKPY-YNEHKIRRSA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001112123591 846401131 /nfs/dbraw/zinc/40/11/31/846401131.db2.gz QUPSDOCDCUBGBC-HBNTYKKESA-N 2 1 352.401 0.569 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001112123591 846401134 /nfs/dbraw/zinc/40/11/34/846401134.db2.gz QUPSDOCDCUBGBC-HBNTYKKESA-N 2 1 352.401 0.569 20 0 FCADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F)C(N)=O ZINC001112123683 846401374 /nfs/dbraw/zinc/40/13/74/846401374.db2.gz VZMLSCATJOICEB-GRYCIOLGSA-N 2 1 366.428 0.960 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112123729 846401494 /nfs/dbraw/zinc/40/14/94/846401494.db2.gz YXAMZARACALBAM-QJPTWQEYSA-N 2 1 366.428 0.830 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112123729 846401500 /nfs/dbraw/zinc/40/15/00/846401500.db2.gz YXAMZARACALBAM-QJPTWQEYSA-N 2 1 366.428 0.830 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154370 846422436 /nfs/dbraw/zinc/42/24/36/846422436.db2.gz IOJURKDDJLXIEZ-VXGBXAGGSA-N 2 1 352.401 0.395 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166310 846429082 /nfs/dbraw/zinc/42/90/82/846429082.db2.gz OAMAALXKIPKKNT-QJPTWQEYSA-N 2 1 350.385 0.053 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166310 846429087 /nfs/dbraw/zinc/42/90/87/846429087.db2.gz OAMAALXKIPKKNT-QJPTWQEYSA-N 2 1 350.385 0.053 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1)[NH+](CC)CC ZINC001112165236 846429369 /nfs/dbraw/zinc/42/93/69/846429369.db2.gz XPVXJMHLJZGOBP-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166146 846429855 /nfs/dbraw/zinc/42/98/55/846429855.db2.gz GTUMGELEQLTLJQ-YNEHKIRRSA-N 2 1 364.412 0.586 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166146 846429860 /nfs/dbraw/zinc/42/98/60/846429860.db2.gz GTUMGELEQLTLJQ-YNEHKIRRSA-N 2 1 364.412 0.586 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112182155 846441415 /nfs/dbraw/zinc/44/14/15/846441415.db2.gz RXHZFYYBJVVGQH-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112181978 846441974 /nfs/dbraw/zinc/44/19/74/846441974.db2.gz HRSNMOJORNBQLO-CHWSQXEVSA-N 2 1 364.412 0.539 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190236 846448450 /nfs/dbraw/zinc/44/84/50/846448450.db2.gz QXKMUFLEVGYIIU-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190236 846448454 /nfs/dbraw/zinc/44/84/54/846448454.db2.gz QXKMUFLEVGYIIU-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C2)C1 ZINC001112208162 846465235 /nfs/dbraw/zinc/46/52/35/846465235.db2.gz PAKOXDZZMHCGGS-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCOC)C2)C1 ZINC001112208162 846465241 /nfs/dbraw/zinc/46/52/41/846465241.db2.gz PAKOXDZZMHCGGS-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112211965 846468297 /nfs/dbraw/zinc/46/82/97/846468297.db2.gz GFAANGRWDGMBOZ-JHJVBQTASA-N 2 1 366.428 0.782 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112444348 846505783 /nfs/dbraw/zinc/50/57/83/846505783.db2.gz QETSFKHTBYNADT-FCEWJHQRSA-N 2 1 350.507 0.810 20 0 FCADMP COCCOC[N@H+]1CCC[C@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276914365 861686914 /nfs/dbraw/zinc/68/69/14/861686914.db2.gz ODQYMVRCCACOHX-KRWDZBQOSA-N 2 1 350.419 0.345 20 0 FCADMP COCCOCN1CCC[C@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276914365 861686918 /nfs/dbraw/zinc/68/69/18/861686918.db2.gz ODQYMVRCCACOHX-KRWDZBQOSA-N 2 1 350.419 0.345 20 0 FCADMP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563519 846525342 /nfs/dbraw/zinc/52/53/42/846525342.db2.gz ZGJXRTMSTGICEW-BXWFABGCSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112567573 846526197 /nfs/dbraw/zinc/52/61/97/846526197.db2.gz XFWPJARSEHSXIG-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578172 846528858 /nfs/dbraw/zinc/52/88/58/846528858.db2.gz BISLYDJHNMTWGZ-LNLFQRSKSA-N 2 1 353.507 0.819 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOC)C2)C1 ZINC001112583209 846531223 /nfs/dbraw/zinc/53/12/23/846531223.db2.gz JCCFDMSXMPQNTJ-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOC)C2)C1 ZINC001112583209 846531230 /nfs/dbraw/zinc/53/12/30/846531230.db2.gz JCCFDMSXMPQNTJ-SCTDSRPQSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]CCOCCO)CCCCC2)O1 ZINC001115593472 846562428 /nfs/dbraw/zinc/56/24/28/846562428.db2.gz JYROCXHRVGECFJ-HZPDHXFCSA-N 2 1 357.495 0.123 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]CCOCCO)CCCCC2)O1 ZINC001115593472 846562431 /nfs/dbraw/zinc/56/24/31/846562431.db2.gz JYROCXHRVGECFJ-HZPDHXFCSA-N 2 1 357.495 0.123 20 0 FCADMP C[C@H](CO)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276973551 861718526 /nfs/dbraw/zinc/71/85/26/861718526.db2.gz DWZHSGVAISMMTK-HKUYNNGSSA-N 2 1 352.523 0.177 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304973 847808090 /nfs/dbraw/zinc/80/80/90/847808090.db2.gz XPKMJTHOWRPLJC-STQMWFEESA-N 2 1 364.412 0.669 20 0 FCADMP C[C@@H]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1CCC[NH3+] ZINC001120480490 848216637 /nfs/dbraw/zinc/21/66/37/848216637.db2.gz VQLMGXSGLBYKQA-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP C[N@H+]1CCCN(CCC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC001120575018 848248125 /nfs/dbraw/zinc/24/81/25/848248125.db2.gz VZHPSOFTRVCIHZ-SFHVURJKSA-N 2 1 358.527 0.879 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCC(C)CC1 ZINC001123713222 848628621 /nfs/dbraw/zinc/62/86/21/848628621.db2.gz HVPCEEMDIDKDIN-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCC(C)CC1 ZINC001123713222 848628627 /nfs/dbraw/zinc/62/86/27/848628627.db2.gz HVPCEEMDIDKDIN-INIZCTEOSA-N 2 1 354.495 0.855 20 0 FCADMP Cc1nn2c(nc(C[NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2=O)s1 ZINC001127639085 848729751 /nfs/dbraw/zinc/72/97/51/848729751.db2.gz UJMJIYHSYWDSKE-ZWNOBZJWSA-N 2 1 364.475 0.005 20 0 FCADMP Cc1nn2c(nc(C[NH2+]CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2=O)s1 ZINC001127639085 848729762 /nfs/dbraw/zinc/72/97/62/848729762.db2.gz UJMJIYHSYWDSKE-ZWNOBZJWSA-N 2 1 364.475 0.005 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2ccccc2F)CC[N@H+]1C ZINC001127644117 848730868 /nfs/dbraw/zinc/73/08/68/848730868.db2.gz VLCCJUUGUIZTHI-UKRRQHHQSA-N 2 1 350.438 0.488 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001127707284 848734416 /nfs/dbraw/zinc/73/44/16/848734416.db2.gz YPDHWIRSYGALGR-MELADBBJSA-N 2 1 351.451 0.746 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829728 848776933 /nfs/dbraw/zinc/77/69/33/848776933.db2.gz JDDQNPPPYWCYNR-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829728 848776937 /nfs/dbraw/zinc/77/69/37/848776937.db2.gz JDDQNPPPYWCYNR-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829728 848776942 /nfs/dbraw/zinc/77/69/42/848776942.db2.gz JDDQNPPPYWCYNR-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829728 848776946 /nfs/dbraw/zinc/77/69/46/848776946.db2.gz JDDQNPPPYWCYNR-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064982 848802071 /nfs/dbraw/zinc/80/20/71/848802071.db2.gz PGEQDPKIEBVJTQ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064982 848802073 /nfs/dbraw/zinc/80/20/73/848802073.db2.gz PGEQDPKIEBVJTQ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064982 848802076 /nfs/dbraw/zinc/80/20/76/848802076.db2.gz PGEQDPKIEBVJTQ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064982 848802077 /nfs/dbraw/zinc/80/20/77/848802077.db2.gz PGEQDPKIEBVJTQ-PMPSAXMXSA-N 2 1 350.467 0.140 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233594 848820946 /nfs/dbraw/zinc/82/09/46/848820946.db2.gz UZRPRQPOIDOWMN-OWCLPIDISA-N 2 1 352.483 0.242 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233594 848820951 /nfs/dbraw/zinc/82/09/51/848820951.db2.gz UZRPRQPOIDOWMN-OWCLPIDISA-N 2 1 352.483 0.242 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407436 848841643 /nfs/dbraw/zinc/84/16/43/848841643.db2.gz NHNDAYZVWRJWNC-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407436 848841649 /nfs/dbraw/zinc/84/16/49/848841649.db2.gz NHNDAYZVWRJWNC-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129407436 848841651 /nfs/dbraw/zinc/84/16/51/848841651.db2.gz NHNDAYZVWRJWNC-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129454150 848846746 /nfs/dbraw/zinc/84/67/46/848846746.db2.gz XYCRMYLVKXSQOZ-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129454150 848846750 /nfs/dbraw/zinc/84/67/50/848846750.db2.gz XYCRMYLVKXSQOZ-CVEARBPZSA-N 2 1 350.467 0.142 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129896128 848910669 /nfs/dbraw/zinc/91/06/69/848910669.db2.gz RJBUAFFLNQGOMY-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130011910 848930989 /nfs/dbraw/zinc/93/09/89/848930989.db2.gz DWTKPXKFVHXDPN-CABCVRRESA-N 2 1 354.474 0.957 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130011942 848931165 /nfs/dbraw/zinc/93/11/65/848931165.db2.gz GEZBPKSZRFBMNX-XCIQPTNHSA-N 2 1 352.870 0.856 20 0 FCADMP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1)OC ZINC001130137063 848950587 /nfs/dbraw/zinc/95/05/87/848950587.db2.gz HJRFQHHGISSGHU-OAGGEKHMSA-N 2 1 352.483 0.385 20 0 FCADMP Cc1ccsc1CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180237 848958558 /nfs/dbraw/zinc/95/85/58/848958558.db2.gz IUESWAAOCXAHCR-ZIAGYGMSSA-N 2 1 368.503 0.098 20 0 FCADMP Cc1ccsc1CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180237 848958559 /nfs/dbraw/zinc/95/85/59/848958559.db2.gz IUESWAAOCXAHCR-ZIAGYGMSSA-N 2 1 368.503 0.098 20 0 FCADMP CCS(=O)(=O)CCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182466 848960693 /nfs/dbraw/zinc/96/06/93/848960693.db2.gz JIJKOXHSSALPGX-HUUCEWRRSA-N 2 1 363.524 0.016 20 0 FCADMP CCS(=O)(=O)CCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182466 848960696 /nfs/dbraw/zinc/96/06/96/848960696.db2.gz JIJKOXHSSALPGX-HUUCEWRRSA-N 2 1 363.524 0.016 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCCCC2)O1 ZINC001130184183 848962082 /nfs/dbraw/zinc/96/20/82/848962082.db2.gz FLOBUTOWGAAUBK-GDBMZVCRSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCCCC2)O1 ZINC001130184183 848962091 /nfs/dbraw/zinc/96/20/91/848962091.db2.gz FLOBUTOWGAAUBK-GDBMZVCRSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001130184459 848963315 /nfs/dbraw/zinc/96/33/15/848963315.db2.gz RHOOYEUQRAYENM-IJEWVQPXSA-N 2 1 354.495 0.249 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC1CCCCC1 ZINC001130184459 848963321 /nfs/dbraw/zinc/96/33/21/848963321.db2.gz RHOOYEUQRAYENM-IJEWVQPXSA-N 2 1 354.495 0.249 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001130238026 848984234 /nfs/dbraw/zinc/98/42/34/848984234.db2.gz POMLUZVDIIVTAA-IHRRRGAJSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001130238026 848984238 /nfs/dbraw/zinc/98/42/38/848984238.db2.gz POMLUZVDIIVTAA-IHRRRGAJSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001130238026 848984244 /nfs/dbraw/zinc/98/42/44/848984244.db2.gz POMLUZVDIIVTAA-IHRRRGAJSA-N 2 1 350.467 0.387 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001130251381 848988197 /nfs/dbraw/zinc/98/81/97/848988197.db2.gz QWLXUQDKWSMQTK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001130251381 848988208 /nfs/dbraw/zinc/98/82/08/848988208.db2.gz QWLXUQDKWSMQTK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001130251381 848988214 /nfs/dbraw/zinc/98/82/14/848988214.db2.gz QWLXUQDKWSMQTK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1 ZINC001130251381 848988220 /nfs/dbraw/zinc/98/82/20/848988220.db2.gz QWLXUQDKWSMQTK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1 ZINC001130251381 848988227 /nfs/dbraw/zinc/98/82/27/848988227.db2.gz QWLXUQDKWSMQTK-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131101369 849079196 /nfs/dbraw/zinc/07/91/96/849079196.db2.gz XVZIHWMPPWZFIS-ARFHVFGLSA-N 2 1 351.495 0.681 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131115167 849080662 /nfs/dbraw/zinc/08/06/62/849080662.db2.gz AXATZJJDBWCGQM-BZUAXINKSA-N 2 1 351.495 0.681 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)on1 ZINC001136542062 849226760 /nfs/dbraw/zinc/22/67/60/849226760.db2.gz VTEBBQANRWNCNS-CYBMUJFWSA-N 2 1 352.435 0.949 20 0 FCADMP CC[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)[NH+](CC)CC ZINC001136663794 849234133 /nfs/dbraw/zinc/23/41/33/849234133.db2.gz ATZWXTXHXCOZIA-INIZCTEOSA-N 2 1 353.511 0.618 20 0 FCADMP COc1ccc(OC)c(CN2CCC[C@@H](NC(=O)CN(C)C)C2)c1N ZINC001139278581 849334634 /nfs/dbraw/zinc/33/46/34/849334634.db2.gz FLBHBEJCFRTJEE-CYBMUJFWSA-N 2 1 350.463 0.928 20 0 FCADMP COCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881595 849649453 /nfs/dbraw/zinc/64/94/53/849649453.db2.gz PBNQLKKCDPAPOQ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881595 849649458 /nfs/dbraw/zinc/64/94/58/849649458.db2.gz PBNQLKKCDPAPOQ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881595 849649466 /nfs/dbraw/zinc/64/94/66/849649466.db2.gz PBNQLKKCDPAPOQ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881595 849649471 /nfs/dbraw/zinc/64/94/71/849649471.db2.gz PBNQLKKCDPAPOQ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157593826 849983590 /nfs/dbraw/zinc/98/35/90/849983590.db2.gz YRMRDOCVWVYGRL-SFHVURJKSA-N 3 1 351.539 0.461 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001158379978 850041093 /nfs/dbraw/zinc/04/10/93/850041093.db2.gz IYEVTGJOZUZDHK-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379791 850041621 /nfs/dbraw/zinc/04/16/21/850041621.db2.gz HXCUTICVLJRYCF-ZIAGYGMSSA-N 2 1 350.467 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001158412601 850047267 /nfs/dbraw/zinc/04/72/67/850047267.db2.gz QQNKRZZLLYYMKP-YESZJQIVSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001158403388 850048126 /nfs/dbraw/zinc/04/81/26/850048126.db2.gz HUUQDKISABBFBP-QWHCGFSZSA-N 2 1 358.437 0.869 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158858613 850081165 /nfs/dbraw/zinc/08/11/65/850081165.db2.gz ZCWLQOJNEZQQBT-ZDUSSCGKSA-N 3 1 354.524 0.154 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001159128665 850096707 /nfs/dbraw/zinc/09/67/07/850096707.db2.gz UOVPOLWJAXIFLT-UHFFFAOYSA-N 2 1 352.523 0.319 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159480994 850117247 /nfs/dbraw/zinc/11/72/47/850117247.db2.gz GUGLCYKRIXUUKI-ZIFCJYIRSA-N 3 1 352.523 0.650 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001159481772 850117969 /nfs/dbraw/zinc/11/79/69/850117969.db2.gz VTCSPTSSGSVJDN-ZHALLVOQSA-N 2 1 351.491 0.572 20 0 FCADMP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160148633 850155950 /nfs/dbraw/zinc/15/59/50/850155950.db2.gz XZWNMJBOWPBDHV-NSHDSACASA-N 2 1 353.492 0.132 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCCCC1 ZINC001160857315 850207014 /nfs/dbraw/zinc/20/70/14/850207014.db2.gz FARDNZJYUTXKJS-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCCCC1 ZINC001160857315 850207023 /nfs/dbraw/zinc/20/70/23/850207023.db2.gz FARDNZJYUTXKJS-OWCLPIDISA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2ccccc2F)O1 ZINC001160858008 850207782 /nfs/dbraw/zinc/20/77/82/850207782.db2.gz WFGYAATXQBOQBA-KBRIMQKVSA-N 2 1 353.438 0.674 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2ccccc2F)O1 ZINC001160858008 850207792 /nfs/dbraw/zinc/20/77/92/850207792.db2.gz WFGYAATXQBOQBA-KBRIMQKVSA-N 2 1 353.438 0.674 20 0 FCADMP CCS(=O)(=O)N1CCC(Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)CC1 ZINC001164315307 850406907 /nfs/dbraw/zinc/40/69/07/850406907.db2.gz MBBLYAOECHKFPU-UHFFFAOYSA-N 2 1 368.507 0.630 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001164578705 850417716 /nfs/dbraw/zinc/41/77/16/850417716.db2.gz NZPISNGBSIFAHP-ARFHVFGLSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCOCC(F)F)CC2)O1 ZINC001165727872 850453877 /nfs/dbraw/zinc/45/38/77/850453877.db2.gz JCBVRWCNXXPHPH-ZIAGYGMSSA-N 2 1 363.449 0.863 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]CCOCC(F)F)CC2)O1 ZINC001165727872 850453881 /nfs/dbraw/zinc/45/38/81/850453881.db2.gz JCBVRWCNXXPHPH-ZIAGYGMSSA-N 2 1 363.449 0.863 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168322656 850582911 /nfs/dbraw/zinc/58/29/11/850582911.db2.gz UTMDXHGEYRVHKI-JIZBTBOESA-N 2 1 353.507 0.912 20 0 FCADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCS(=O)(=O)N(C)C ZINC001168859912 850596180 /nfs/dbraw/zinc/59/61/80/850596180.db2.gz FGONKUBMINAREL-UHFFFAOYSA-N 2 1 356.496 0.263 20 0 FCADMP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863020 850669038 /nfs/dbraw/zinc/66/90/38/850669038.db2.gz TUCZIXJTPPWBJK-BFHYXJOUSA-N 2 1 355.483 0.047 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487894 850686775 /nfs/dbraw/zinc/68/67/75/850686775.db2.gz YKSJGYOVSPVGLF-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487894 850686781 /nfs/dbraw/zinc/68/67/81/850686781.db2.gz YKSJGYOVSPVGLF-BFYDXBDKSA-N 2 1 351.495 0.904 20 0 FCADMP CC[N@H+]1CC[C@H](N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)C1 ZINC001173363423 850720508 /nfs/dbraw/zinc/72/05/08/850720508.db2.gz XIMDSRSZYJILSF-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CC[NH+]1CC[C@H](N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001173363423 850720514 /nfs/dbraw/zinc/72/05/14/850720514.db2.gz XIMDSRSZYJILSF-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CC[NH+]1CC[C@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001173363423 850720521 /nfs/dbraw/zinc/72/05/21/850720521.db2.gz XIMDSRSZYJILSF-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CC[N@H+]1CC[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)C1 ZINC001173365209 850721812 /nfs/dbraw/zinc/72/18/12/850721812.db2.gz ZMOFBWFKRVEDFP-OWCLPIDISA-N 2 1 355.508 0.049 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001178521659 850904796 /nfs/dbraw/zinc/90/47/96/850904796.db2.gz AVOAMPRZXOZYOX-MGPQQGTHSA-N 2 1 355.483 0.176 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001178701483 850918450 /nfs/dbraw/zinc/91/84/50/850918450.db2.gz KSUNGGFEHOBFFL-INIZCTEOSA-N 2 1 366.487 0.417 20 0 FCADMP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730985 850921400 /nfs/dbraw/zinc/92/14/00/850921400.db2.gz IRDZXDFPGYFISA-QXSJWSMHSA-N 2 1 354.495 0.058 20 0 FCADMP Cc1nnc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001178811146 850934034 /nfs/dbraw/zinc/93/40/34/850934034.db2.gz RXZWYRANAUNAKK-UKRRQHHQSA-N 2 1 352.483 0.598 20 0 FCADMP Cc1nnc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001178811146 850934039 /nfs/dbraw/zinc/93/40/39/850934039.db2.gz RXZWYRANAUNAKK-UKRRQHHQSA-N 2 1 352.483 0.598 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001182676503 851190134 /nfs/dbraw/zinc/19/01/34/851190134.db2.gz LUXQWTXMTUNEMJ-IJLUTSLNSA-N 2 1 352.464 0.007 20 0 FCADMP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186372899 851428898 /nfs/dbraw/zinc/42/88/98/851428898.db2.gz FYLYUVAZUVXILQ-BRWVUGGUSA-N 2 1 353.507 0.818 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190095 851657648 /nfs/dbraw/zinc/65/76/48/851657648.db2.gz VKWUOWLQXQAXHY-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190095 851657652 /nfs/dbraw/zinc/65/76/52/851657652.db2.gz VKWUOWLQXQAXHY-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190095 851657658 /nfs/dbraw/zinc/65/76/58/851657658.db2.gz VKWUOWLQXQAXHY-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190095 851657660 /nfs/dbraw/zinc/65/76/60/851657660.db2.gz VKWUOWLQXQAXHY-YESZJQIVSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)F)C[C@H]32)O1 ZINC001188323655 851669784 /nfs/dbraw/zinc/66/97/84/851669784.db2.gz YZUGVRUOEBIEFS-LXTVHRRPSA-N 2 1 361.433 0.520 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)F)C[C@H]32)O1 ZINC001188323655 851669790 /nfs/dbraw/zinc/66/97/90/851669790.db2.gz YZUGVRUOEBIEFS-LXTVHRRPSA-N 2 1 361.433 0.520 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)F)C[C@H]32)O1 ZINC001188323655 851669796 /nfs/dbraw/zinc/66/97/96/851669796.db2.gz YZUGVRUOEBIEFS-LXTVHRRPSA-N 2 1 361.433 0.520 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)F)C[C@H]32)O1 ZINC001188323655 851669803 /nfs/dbraw/zinc/66/98/03/851669803.db2.gz YZUGVRUOEBIEFS-LXTVHRRPSA-N 2 1 361.433 0.520 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931631 851734720 /nfs/dbraw/zinc/73/47/20/851734720.db2.gz HPUDVIUUNGVPIS-XLAORIBOSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931631 851734723 /nfs/dbraw/zinc/73/47/23/851734723.db2.gz HPUDVIUUNGVPIS-XLAORIBOSA-N 2 1 353.507 0.912 20 0 FCADMP COCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931631 851734731 /nfs/dbraw/zinc/73/47/31/851734731.db2.gz HPUDVIUUNGVPIS-XLAORIBOSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188962802 851738296 /nfs/dbraw/zinc/73/82/96/851738296.db2.gz GJRZWXMCEJQGBD-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026367 851743784 /nfs/dbraw/zinc/74/37/84/851743784.db2.gz LRRZSYPXRCNNLZ-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026367 851743785 /nfs/dbraw/zinc/74/37/85/851743785.db2.gz LRRZSYPXRCNNLZ-HRCADAONSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001189034163 851743966 /nfs/dbraw/zinc/74/39/66/851743966.db2.gz BIBVEBFLKVRXED-JKSUJKDBSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001189034163 851743981 /nfs/dbraw/zinc/74/39/81/851743981.db2.gz BIBVEBFLKVRXED-JKSUJKDBSA-N 2 1 357.520 0.296 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026369 851744472 /nfs/dbraw/zinc/74/44/72/851744472.db2.gz LRRZSYPXRCNNLZ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026369 851744477 /nfs/dbraw/zinc/74/44/77/851744477.db2.gz LRRZSYPXRCNNLZ-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034217 851744495 /nfs/dbraw/zinc/74/44/95/851744495.db2.gz CCPJYGIUCUDPGO-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127312 851755182 /nfs/dbraw/zinc/75/51/82/851755182.db2.gz STRSOTIDNLGOEV-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127312 851755189 /nfs/dbraw/zinc/75/51/89/851755189.db2.gz STRSOTIDNLGOEV-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127312 851755192 /nfs/dbraw/zinc/75/51/92/851755192.db2.gz STRSOTIDNLGOEV-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127312 851755197 /nfs/dbraw/zinc/75/51/97/851755197.db2.gz STRSOTIDNLGOEV-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001189438952 851790203 /nfs/dbraw/zinc/79/02/03/851790203.db2.gz JIWDBVGLZMGKHL-ZWKOTPCHSA-N 2 1 351.491 0.668 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001189438952 851790208 /nfs/dbraw/zinc/79/02/08/851790208.db2.gz JIWDBVGLZMGKHL-ZWKOTPCHSA-N 2 1 351.491 0.668 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC3CCC3)C[C@H]21 ZINC001189653313 851811165 /nfs/dbraw/zinc/81/11/65/851811165.db2.gz UWILBZNIKDRTOE-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189653313 851811172 /nfs/dbraw/zinc/81/11/72/851811172.db2.gz UWILBZNIKDRTOE-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189653313 851811184 /nfs/dbraw/zinc/81/11/84/851811184.db2.gz UWILBZNIKDRTOE-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189653313 851811195 /nfs/dbraw/zinc/81/11/95/851811195.db2.gz UWILBZNIKDRTOE-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189653313 851811207 /nfs/dbraw/zinc/81/12/07/851811207.db2.gz UWILBZNIKDRTOE-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669234 851813896 /nfs/dbraw/zinc/81/38/96/851813896.db2.gz UUCZTARSNBRDDL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669234 851813901 /nfs/dbraw/zinc/81/39/01/851813901.db2.gz UUCZTARSNBRDDL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189669234 851813909 /nfs/dbraw/zinc/81/39/09/851813909.db2.gz UUCZTARSNBRDDL-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001189801725 851826217 /nfs/dbraw/zinc/82/62/17/851826217.db2.gz JXHYZXPDXBKPHR-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001189801725 851826221 /nfs/dbraw/zinc/82/62/21/851826221.db2.gz JXHYZXPDXBKPHR-OWCLPIDISA-N 2 1 369.531 0.296 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801739 851826236 /nfs/dbraw/zinc/82/62/36/851826236.db2.gz KPKLTSMSRZQKPM-JKSUJKDBSA-N 2 1 369.531 0.440 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801739 851826241 /nfs/dbraw/zinc/82/62/41/851826241.db2.gz KPKLTSMSRZQKPM-JKSUJKDBSA-N 2 1 369.531 0.440 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906150 851840842 /nfs/dbraw/zinc/84/08/42/851840842.db2.gz CHSDIEWDIFYLNB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906150 851840846 /nfs/dbraw/zinc/84/08/46/851840846.db2.gz CHSDIEWDIFYLNB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001189906150 851840852 /nfs/dbraw/zinc/84/08/52/851840852.db2.gz CHSDIEWDIFYLNB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262752 851886365 /nfs/dbraw/zinc/88/63/65/851886365.db2.gz HYOUXPZTOGXZJW-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262752 851886370 /nfs/dbraw/zinc/88/63/70/851886370.db2.gz HYOUXPZTOGXZJW-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262752 851886377 /nfs/dbraw/zinc/88/63/77/851886377.db2.gz HYOUXPZTOGXZJW-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(C)C)C[C@H]32)C1 ZINC001190262752 851886382 /nfs/dbraw/zinc/88/63/82/851886382.db2.gz HYOUXPZTOGXZJW-RCCFBDPRSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278423667 862323902 /nfs/dbraw/zinc/32/39/02/862323902.db2.gz WCJLXJYSEOQERE-HZPDHXFCSA-N 2 1 350.507 0.633 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 ZINC001193755478 852481935 /nfs/dbraw/zinc/48/19/35/852481935.db2.gz LGVYMEXMQGRVFV-IXDOHACOSA-N 2 1 351.495 0.555 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193757336 852483147 /nfs/dbraw/zinc/48/31/47/852483147.db2.gz ZKGLFMJIFFRKQQ-OWCLPIDISA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193757336 852483150 /nfs/dbraw/zinc/48/31/50/852483150.db2.gz ZKGLFMJIFFRKQQ-OWCLPIDISA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193757335 852483337 /nfs/dbraw/zinc/48/33/37/852483337.db2.gz ZKGLFMJIFFRKQQ-BZUAXINKSA-N 2 1 350.463 0.737 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193757335 852483341 /nfs/dbraw/zinc/48/33/41/852483341.db2.gz ZKGLFMJIFFRKQQ-BZUAXINKSA-N 2 1 350.463 0.737 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)CCC1 ZINC001193766799 852485864 /nfs/dbraw/zinc/48/58/64/852485864.db2.gz XSTLVOSTYXPGDS-IXDOHACOSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)C1CC1 ZINC001193791024 852489600 /nfs/dbraw/zinc/48/96/00/852489600.db2.gz BATWVZRXVBTWBZ-KZNAEPCWSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821681 852494688 /nfs/dbraw/zinc/49/46/88/852494688.db2.gz PZWKRIRTHWXYSY-HUUCEWRRSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821681 852494696 /nfs/dbraw/zinc/49/46/96/852494696.db2.gz PZWKRIRTHWXYSY-HUUCEWRRSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821681 852494701 /nfs/dbraw/zinc/49/47/01/852494701.db2.gz PZWKRIRTHWXYSY-HUUCEWRRSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821681 852494708 /nfs/dbraw/zinc/49/47/08/852494708.db2.gz PZWKRIRTHWXYSY-HUUCEWRRSA-N 2 1 352.504 0.640 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001193892359 852501225 /nfs/dbraw/zinc/50/12/25/852501225.db2.gz LDUNGLDAMYFXKR-FVQBIDKESA-N 2 1 352.504 0.721 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001193892359 852501232 /nfs/dbraw/zinc/50/12/32/852501232.db2.gz LDUNGLDAMYFXKR-FVQBIDKESA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001193892359 852501240 /nfs/dbraw/zinc/50/12/40/852501240.db2.gz LDUNGLDAMYFXKR-FVQBIDKESA-N 2 1 352.504 0.721 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001193892359 852501247 /nfs/dbraw/zinc/50/12/47/852501247.db2.gz LDUNGLDAMYFXKR-FVQBIDKESA-N 2 1 352.504 0.721 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001194244617 852564026 /nfs/dbraw/zinc/56/40/26/852564026.db2.gz SWLJBPRHGFGZLW-ZIAGYGMSSA-N 2 1 353.467 0.202 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001194244617 852564034 /nfs/dbraw/zinc/56/40/34/852564034.db2.gz SWLJBPRHGFGZLW-ZIAGYGMSSA-N 2 1 353.467 0.202 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001194244617 852564044 /nfs/dbraw/zinc/56/40/44/852564044.db2.gz SWLJBPRHGFGZLW-ZIAGYGMSSA-N 2 1 353.467 0.202 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001194244617 852564049 /nfs/dbraw/zinc/56/40/49/852564049.db2.gz SWLJBPRHGFGZLW-ZIAGYGMSSA-N 2 1 353.467 0.202 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1)OC ZINC001194290247 852573183 /nfs/dbraw/zinc/57/31/83/852573183.db2.gz SHZGAXWXCGSGFO-GVDBMIGSSA-N 2 1 350.463 0.494 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194298341 852574200 /nfs/dbraw/zinc/57/42/00/852574200.db2.gz DTNDMEMYHGJSJX-USXIJHARSA-N 2 1 353.507 0.837 20 0 FCADMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001195290176 852736560 /nfs/dbraw/zinc/73/65/60/852736560.db2.gz UOKFYTRADIAHSW-INIZCTEOSA-N 2 1 354.495 0.156 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195872012 852837607 /nfs/dbraw/zinc/83/76/07/852837607.db2.gz WUSIUBHQUJMFBL-IAGOWNOFSA-N 2 1 351.447 0.187 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195872012 852837615 /nfs/dbraw/zinc/83/76/15/852837615.db2.gz WUSIUBHQUJMFBL-IAGOWNOFSA-N 2 1 351.447 0.187 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252042 852925026 /nfs/dbraw/zinc/92/50/26/852925026.db2.gz QFRUTFNJUWACBE-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654307 853297971 /nfs/dbraw/zinc/29/79/71/853297971.db2.gz SASCBNHRBNAHJI-IJLUTSLNSA-N 2 1 371.375 0.016 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654307 853297978 /nfs/dbraw/zinc/29/79/78/853297978.db2.gz SASCBNHRBNAHJI-IJLUTSLNSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654307 853297986 /nfs/dbraw/zinc/29/79/86/853297986.db2.gz SASCBNHRBNAHJI-IJLUTSLNSA-N 2 1 371.375 0.016 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]2O)C1 ZINC001198654307 853297991 /nfs/dbraw/zinc/29/79/91/853297991.db2.gz SASCBNHRBNAHJI-IJLUTSLNSA-N 2 1 371.375 0.016 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001198698811 853303198 /nfs/dbraw/zinc/30/31/98/853303198.db2.gz FQZGOABECRKLNV-NWANDNLSSA-N 2 1 361.433 0.161 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O ZINC001198699453 853304044 /nfs/dbraw/zinc/30/40/44/853304044.db2.gz RQPZBJHAZCMGLH-DJIMGWMZSA-N 2 1 367.515 0.420 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001198699686 853305290 /nfs/dbraw/zinc/30/52/90/853305290.db2.gz WSZVZIVJURNOHF-KBAYOESNSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199018227 853355202 /nfs/dbraw/zinc/35/52/02/853355202.db2.gz RVSMIXLTPVHKSC-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001199370010 853413254 /nfs/dbraw/zinc/41/32/54/853413254.db2.gz GXUMJDQEFPTIMN-KZNAEPCWSA-N 2 1 353.507 0.983 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N(C)CC3CC3)CC2)CC[N@H+]1C ZINC001200636755 853505829 /nfs/dbraw/zinc/50/58/29/853505829.db2.gz NMNZBGBPLZCEGW-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230404 853521188 /nfs/dbraw/zinc/52/11/88/853521188.db2.gz PDKQFFMASFOYGB-IJEWVQPXSA-N 2 1 354.495 0.201 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230404 853521197 /nfs/dbraw/zinc/52/11/97/853521197.db2.gz PDKQFFMASFOYGB-IJEWVQPXSA-N 2 1 354.495 0.201 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001207007753 853779347 /nfs/dbraw/zinc/77/93/47/853779347.db2.gz QAUOLSWCAFWJRX-BZUAXINKSA-N 2 1 352.479 0.842 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001207007753 853779350 /nfs/dbraw/zinc/77/93/50/853779350.db2.gz QAUOLSWCAFWJRX-BZUAXINKSA-N 2 1 352.479 0.842 20 0 FCADMP O=C(CO[C@H]1CO[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1)N1CCCC1 ZINC001207436603 853813264 /nfs/dbraw/zinc/81/32/64/853813264.db2.gz DXUJLOBDLPAYBB-MJGOQNOKSA-N 2 1 351.491 0.858 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207547385 853823465 /nfs/dbraw/zinc/82/34/65/853823465.db2.gz USNQIGOPUVKISG-QGPMSJSTSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207547385 853823468 /nfs/dbraw/zinc/82/34/68/853823468.db2.gz USNQIGOPUVKISG-QGPMSJSTSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617337 853830394 /nfs/dbraw/zinc/83/03/94/853830394.db2.gz RBCQYQBTVXTLJX-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617337 853830398 /nfs/dbraw/zinc/83/03/98/853830398.db2.gz RBCQYQBTVXTLJX-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617337 853830399 /nfs/dbraw/zinc/83/03/99/853830399.db2.gz RBCQYQBTVXTLJX-BZUAXINKSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001207641247 853831416 /nfs/dbraw/zinc/83/14/16/853831416.db2.gz CDQADHVRWVYCAX-KYJSFNMBSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C)[NH+](C)C ZINC001207641247 853831420 /nfs/dbraw/zinc/83/14/20/853831420.db2.gz CDQADHVRWVYCAX-KYJSFNMBSA-N 2 1 352.523 0.878 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653001 853834705 /nfs/dbraw/zinc/83/47/05/853834705.db2.gz SDKNLUZXISQSQB-OAGGEKHMSA-N 2 1 355.527 0.717 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653001 853834710 /nfs/dbraw/zinc/83/47/10/853834710.db2.gz SDKNLUZXISQSQB-OAGGEKHMSA-N 2 1 355.527 0.717 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706080 853843280 /nfs/dbraw/zinc/84/32/80/853843280.db2.gz NFKONHYDDVILIS-IXDOHACOSA-N 2 1 355.523 0.942 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036193 853884864 /nfs/dbraw/zinc/88/48/64/853884864.db2.gz ASJPFRYFNSMSBG-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036193 853884867 /nfs/dbraw/zinc/88/48/67/853884867.db2.gz ASJPFRYFNSMSBG-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036193 853884870 /nfs/dbraw/zinc/88/48/70/853884870.db2.gz ASJPFRYFNSMSBG-QCZOYZIOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425820 853932026 /nfs/dbraw/zinc/93/20/26/853932026.db2.gz ZWABDRPDKUZWJN-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425820 853932029 /nfs/dbraw/zinc/93/20/29/853932029.db2.gz ZWABDRPDKUZWJN-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434952 853933282 /nfs/dbraw/zinc/93/32/82/853933282.db2.gz LAKZOAIIUHERRT-BRWVUGGUSA-N 2 1 355.523 0.798 20 0 FCADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444924 853934800 /nfs/dbraw/zinc/93/48/00/853934800.db2.gz LARLUAYAXZWQSP-HUUCEWRRSA-N 2 1 362.540 0.094 20 0 FCADMP CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492100 853942282 /nfs/dbraw/zinc/94/22/82/853942282.db2.gz DNXJBUIELSFRCT-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCS(=O)(=O)CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492100 853942291 /nfs/dbraw/zinc/94/22/91/853942291.db2.gz DNXJBUIELSFRCT-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCOC(=O)CC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001209035821 853992197 /nfs/dbraw/zinc/99/21/97/853992197.db2.gz LEOZPABJNOHNQD-UHFFFAOYSA-N 2 1 355.479 0.442 20 0 FCADMP CCOC(=O)CC[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001209035821 853992201 /nfs/dbraw/zinc/99/22/01/853992201.db2.gz LEOZPABJNOHNQD-UHFFFAOYSA-N 2 1 355.479 0.442 20 0 FCADMP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327167 854019583 /nfs/dbraw/zinc/01/95/83/854019583.db2.gz DPSFFPLRSADBQH-NVXWUHKLSA-N 2 1 351.495 0.921 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041944 854072696 /nfs/dbraw/zinc/07/26/96/854072696.db2.gz ZLCSUCGYHXKELC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041944 854072698 /nfs/dbraw/zinc/07/26/98/854072698.db2.gz ZLCSUCGYHXKELC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041944 854072703 /nfs/dbraw/zinc/07/27/03/854072703.db2.gz ZLCSUCGYHXKELC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210041944 854072709 /nfs/dbraw/zinc/07/27/09/854072709.db2.gz ZLCSUCGYHXKELC-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210041182 854072858 /nfs/dbraw/zinc/07/28/58/854072858.db2.gz QWIVJOBLKNXERI-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210041182 854072864 /nfs/dbraw/zinc/07/28/64/854072864.db2.gz QWIVJOBLKNXERI-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210041182 854072869 /nfs/dbraw/zinc/07/28/69/854072869.db2.gz QWIVJOBLKNXERI-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210041182 854072875 /nfs/dbraw/zinc/07/28/75/854072875.db2.gz QWIVJOBLKNXERI-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049494 854073859 /nfs/dbraw/zinc/07/38/59/854073859.db2.gz CPEUGDZIIMPKFG-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049494 854073863 /nfs/dbraw/zinc/07/38/63/854073863.db2.gz CPEUGDZIIMPKFG-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049494 854073869 /nfs/dbraw/zinc/07/38/69/854073869.db2.gz CPEUGDZIIMPKFG-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001210049494 854073877 /nfs/dbraw/zinc/07/38/77/854073877.db2.gz CPEUGDZIIMPKFG-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297929 854097221 /nfs/dbraw/zinc/09/72/21/854097221.db2.gz KHHYFLBSNYQRBL-BZUAXINKSA-N 2 1 356.511 0.258 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297938 854097442 /nfs/dbraw/zinc/09/74/42/854097442.db2.gz KNOXDYMOAUUNQZ-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297938 854097446 /nfs/dbraw/zinc/09/74/46/854097446.db2.gz KNOXDYMOAUUNQZ-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330242 854101734 /nfs/dbraw/zinc/10/17/34/854101734.db2.gz TXVQMRXSPGPVGL-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210529469 854116552 /nfs/dbraw/zinc/11/65/52/854116552.db2.gz WVGBHGSWQVTMJA-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210529469 854116555 /nfs/dbraw/zinc/11/65/55/854116555.db2.gz WVGBHGSWQVTMJA-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210529469 854116558 /nfs/dbraw/zinc/11/65/58/854116558.db2.gz WVGBHGSWQVTMJA-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001210529469 854116560 /nfs/dbraw/zinc/11/65/60/854116560.db2.gz WVGBHGSWQVTMJA-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001211292896 854175121 /nfs/dbraw/zinc/17/51/21/854175121.db2.gz USENJLCZKGTIAG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410295 854467030 /nfs/dbraw/zinc/46/70/30/854467030.db2.gz PWMPTMVLSRCAOB-KURKYZTESA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212453006 854485145 /nfs/dbraw/zinc/48/51/45/854485145.db2.gz OJTJZKOVGWPHIY-BRWVUGGUSA-N 2 1 353.507 0.839 20 0 FCADMP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342093 854581200 /nfs/dbraw/zinc/58/12/00/854581200.db2.gz GTHVKDNTDOWBIO-BRWVUGGUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374759 854593737 /nfs/dbraw/zinc/59/37/37/854593737.db2.gz WIKAPGJPIQEQGD-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374759 854593744 /nfs/dbraw/zinc/59/37/44/854593744.db2.gz WIKAPGJPIQEQGD-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213588977 854677592 /nfs/dbraw/zinc/67/75/92/854677592.db2.gz YFQWDIPJPJDRSR-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213588977 854677593 /nfs/dbraw/zinc/67/75/93/854677593.db2.gz YFQWDIPJPJDRSR-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001213588977 854677596 /nfs/dbraw/zinc/67/75/96/854677596.db2.gz YFQWDIPJPJDRSR-IAGOWNOFSA-N 2 1 359.511 0.323 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730165 854739698 /nfs/dbraw/zinc/73/96/98/854739698.db2.gz GXCWZMYBJMJRLK-HUUCEWRRSA-N 2 1 370.519 0.388 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754172 854751902 /nfs/dbraw/zinc/75/19/02/854751902.db2.gz VHSCOKLQTVPZHP-MGPQQGTHSA-N 2 1 369.428 0.847 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754172 854751904 /nfs/dbraw/zinc/75/19/04/854751904.db2.gz VHSCOKLQTVPZHP-MGPQQGTHSA-N 2 1 369.428 0.847 20 0 FCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214662202 854988310 /nfs/dbraw/zinc/98/83/10/854988310.db2.gz YOEJXSWQJNBQKZ-RBSFLKMASA-N 2 1 370.519 0.878 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855808 855023295 /nfs/dbraw/zinc/02/32/95/855023295.db2.gz OIWYKRHLEIALBT-BZUAXINKSA-N 2 1 350.463 0.860 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001214952742 855038724 /nfs/dbraw/zinc/03/87/24/855038724.db2.gz KJMHKMZKRONRQJ-AAVRWANBSA-N 2 1 367.412 0.721 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC001214952742 855038733 /nfs/dbraw/zinc/03/87/33/855038733.db2.gz KJMHKMZKRONRQJ-AAVRWANBSA-N 2 1 367.412 0.721 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001215156065 855074422 /nfs/dbraw/zinc/07/44/22/855074422.db2.gz WKBUBGBKHRNFFW-GZBFAFLISA-N 2 1 356.492 0.309 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001215155940 855074492 /nfs/dbraw/zinc/07/44/92/855074492.db2.gz QBPSDOVOWXQDLZ-ZYHUDNBSSA-N 2 1 363.447 0.118 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215388485 855107815 /nfs/dbraw/zinc/10/78/15/855107815.db2.gz FWNPWICQBMLSDM-OIISXLGYSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541357 855127485 /nfs/dbraw/zinc/12/74/85/855127485.db2.gz ZARLDFRVWRBRBW-BZUAXINKSA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215564004 855129113 /nfs/dbraw/zinc/12/91/13/855129113.db2.gz WYRRBSNYMVYFJF-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001216400865 855199355 /nfs/dbraw/zinc/19/93/55/855199355.db2.gz BRWPUJKEWLXEMS-TZMCWYRMSA-N 2 1 350.467 0.197 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216500049 855208418 /nfs/dbraw/zinc/20/84/18/855208418.db2.gz XBMNJBHLXCOJBV-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001216511432 855209895 /nfs/dbraw/zinc/20/98/95/855209895.db2.gz SGLIIRKNRDHYPS-ZIAGYGMSSA-N 2 1 351.451 0.782 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216751937 855232036 /nfs/dbraw/zinc/23/20/36/855232036.db2.gz CKZVJTYYPLESRZ-HZSPNIEDSA-N 2 1 365.503 0.494 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217743551 855372165 /nfs/dbraw/zinc/37/21/65/855372165.db2.gz VEZYLGXVGNSADP-XFMPKHEZSA-N 2 1 353.467 0.882 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217743551 855372170 /nfs/dbraw/zinc/37/21/70/855372170.db2.gz VEZYLGXVGNSADP-XFMPKHEZSA-N 2 1 353.467 0.882 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]21 ZINC001218305238 855413213 /nfs/dbraw/zinc/41/32/13/855413213.db2.gz BVLQWZDQBREIQW-DLBZAZTESA-N 2 1 350.463 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCCOC(C)C)C[C@@H]21 ZINC001218305238 855413220 /nfs/dbraw/zinc/41/32/20/855413220.db2.gz BVLQWZDQBREIQW-DLBZAZTESA-N 2 1 350.463 0.918 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354294 855417589 /nfs/dbraw/zinc/41/75/89/855417589.db2.gz AYXNUKJXOIPCKB-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354294 855417593 /nfs/dbraw/zinc/41/75/93/855417593.db2.gz AYXNUKJXOIPCKB-KSZLIROESA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)CC1 ZINC001218550597 855437399 /nfs/dbraw/zinc/43/73/99/855437399.db2.gz GHWAIWWISRWEMU-DLBZAZTESA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)CC1 ZINC001218550597 855437408 /nfs/dbraw/zinc/43/74/08/855437408.db2.gz GHWAIWWISRWEMU-DLBZAZTESA-N 2 1 351.491 0.666 20 0 FCADMP CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)C[NH2+]CCC[NH3+] ZINC001218650209 855457410 /nfs/dbraw/zinc/45/74/10/855457410.db2.gz OSAHOCDUWJBYTJ-UHFFFAOYSA-N 2 1 350.206 0.837 20 0 FCADMP CC(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218823350 855482983 /nfs/dbraw/zinc/48/29/83/855482983.db2.gz HLECVHWXDVJKTL-CQSZACIVSA-N 2 1 368.503 0.558 20 0 FCADMP CC(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218823349 855483205 /nfs/dbraw/zinc/48/32/05/855483205.db2.gz HLECVHWXDVJKTL-AWEZNQCLSA-N 2 1 368.503 0.558 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970484 855504545 /nfs/dbraw/zinc/50/45/45/855504545.db2.gz HPGHGKFYVFEJPX-DLBZAZTESA-N 2 1 357.495 0.149 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970484 855504548 /nfs/dbraw/zinc/50/45/48/855504548.db2.gz HPGHGKFYVFEJPX-DLBZAZTESA-N 2 1 357.495 0.149 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001218971300 855505362 /nfs/dbraw/zinc/50/53/62/855505362.db2.gz XGHMCNUDTRBOEO-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001218971300 855505364 /nfs/dbraw/zinc/50/53/64/855505364.db2.gz XGHMCNUDTRBOEO-DLBZAZTESA-N 2 1 355.479 0.045 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCF)C[C@@H]32)C1 ZINC001219042946 855523039 /nfs/dbraw/zinc/52/30/39/855523039.db2.gz UZQRJXOTPMGEDH-BBWFWOEESA-N 2 1 357.470 0.759 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCCF)C[C@@H]32)C1 ZINC001219042946 855523045 /nfs/dbraw/zinc/52/30/45/855523045.db2.gz UZQRJXOTPMGEDH-BBWFWOEESA-N 2 1 357.470 0.759 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCCF)C[C@@H]32)C1 ZINC001219042946 855523053 /nfs/dbraw/zinc/52/30/53/855523053.db2.gz UZQRJXOTPMGEDH-BBWFWOEESA-N 2 1 357.470 0.759 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCCF)C[C@@H]32)C1 ZINC001219042946 855523063 /nfs/dbraw/zinc/52/30/63/855523063.db2.gz UZQRJXOTPMGEDH-BBWFWOEESA-N 2 1 357.470 0.759 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219635122 855747789 /nfs/dbraw/zinc/74/77/89/855747789.db2.gz SAMPNVITJMKVGC-CVEARBPZSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219635122 855747797 /nfs/dbraw/zinc/74/77/97/855747797.db2.gz SAMPNVITJMKVGC-CVEARBPZSA-N 2 1 357.495 0.075 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)s1 ZINC001219803647 855822338 /nfs/dbraw/zinc/82/23/38/855822338.db2.gz BYALAUKODFROBN-IJEWVQPXSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)s1 ZINC001219803647 855822344 /nfs/dbraw/zinc/82/23/44/855822344.db2.gz BYALAUKODFROBN-IJEWVQPXSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814047 855829865 /nfs/dbraw/zinc/82/98/65/855829865.db2.gz PZWKRIRTHWXYSY-CABCVRRESA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814047 855829869 /nfs/dbraw/zinc/82/98/69/855829869.db2.gz PZWKRIRTHWXYSY-CABCVRRESA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814047 855829873 /nfs/dbraw/zinc/82/98/73/855829873.db2.gz PZWKRIRTHWXYSY-CABCVRRESA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814047 855829878 /nfs/dbraw/zinc/82/98/78/855829878.db2.gz PZWKRIRTHWXYSY-CABCVRRESA-N 2 1 352.504 0.640 20 0 FCADMP CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877467 855857505 /nfs/dbraw/zinc/85/75/05/855857505.db2.gz HFWIFPKTCISRSC-CVEARBPZSA-N 2 1 355.523 0.942 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922704 855879704 /nfs/dbraw/zinc/87/97/04/855879704.db2.gz CHNJQEZHOZVOAF-UAGQMJEPSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922704 855879711 /nfs/dbraw/zinc/87/97/11/855879711.db2.gz CHNJQEZHOZVOAF-UAGQMJEPSA-N 2 1 355.523 0.962 20 0 FCADMP C[C@H](O)CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922704 855879720 /nfs/dbraw/zinc/87/97/20/855879720.db2.gz CHNJQEZHOZVOAF-UAGQMJEPSA-N 2 1 355.523 0.962 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)CCCC1 ZINC001220077888 855948474 /nfs/dbraw/zinc/94/84/74/855948474.db2.gz AHUFKNOGIUVNOQ-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)CCCC1 ZINC001220078214 855948663 /nfs/dbraw/zinc/94/86/63/855948663.db2.gz KKVQVLSDBKXZMP-SJORKVTESA-N 2 1 353.507 0.839 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209331 856009043 /nfs/dbraw/zinc/00/90/43/856009043.db2.gz KDWANEOVNPDIAQ-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001220209331 856009053 /nfs/dbraw/zinc/00/90/53/856009053.db2.gz KDWANEOVNPDIAQ-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209331 856009064 /nfs/dbraw/zinc/00/90/64/856009064.db2.gz KDWANEOVNPDIAQ-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209331 856009072 /nfs/dbraw/zinc/00/90/72/856009072.db2.gz KDWANEOVNPDIAQ-SQNIBIBYSA-N 2 1 353.507 0.981 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230832 856023554 /nfs/dbraw/zinc/02/35/54/856023554.db2.gz QJDMUXJSXCXVLU-KGLIPLIRSA-N 2 1 352.504 0.497 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220275164 856040509 /nfs/dbraw/zinc/04/05/09/856040509.db2.gz QKSUTZFJIUYPAA-SJORKVTESA-N 2 1 351.447 0.187 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220275164 856040514 /nfs/dbraw/zinc/04/05/14/856040514.db2.gz QKSUTZFJIUYPAA-SJORKVTESA-N 2 1 351.447 0.187 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355047 856080214 /nfs/dbraw/zinc/08/02/14/856080214.db2.gz BMIUTCDIQRHKDU-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355047 856080216 /nfs/dbraw/zinc/08/02/16/856080216.db2.gz BMIUTCDIQRHKDU-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220482406 856148894 /nfs/dbraw/zinc/14/88/94/856148894.db2.gz QLWHUJDXNMKIML-OAGGEKHMSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220482406 856148897 /nfs/dbraw/zinc/14/88/97/856148897.db2.gz QLWHUJDXNMKIML-OAGGEKHMSA-N 2 1 350.463 0.594 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1)OC ZINC001220482400 856148919 /nfs/dbraw/zinc/14/89/19/856148919.db2.gz QGEZIALPSPJWMW-XHSDSOJGSA-N 2 1 352.479 0.983 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1)OC ZINC001220482400 856148920 /nfs/dbraw/zinc/14/89/20/856148920.db2.gz QGEZIALPSPJWMW-XHSDSOJGSA-N 2 1 352.479 0.983 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O ZINC001220553787 856181404 /nfs/dbraw/zinc/18/14/04/856181404.db2.gz SNWVYXIODQZDJL-CVEARBPZSA-N 2 1 353.488 0.174 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O ZINC001220553787 856181410 /nfs/dbraw/zinc/18/14/10/856181410.db2.gz SNWVYXIODQZDJL-CVEARBPZSA-N 2 1 353.488 0.174 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220681303 856238656 /nfs/dbraw/zinc/23/86/56/856238656.db2.gz HKBAXQXZLOUZLL-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220681303 856238663 /nfs/dbraw/zinc/23/86/63/856238663.db2.gz HKBAXQXZLOUZLL-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220681303 856238668 /nfs/dbraw/zinc/23/86/68/856238668.db2.gz HKBAXQXZLOUZLL-OLZOCXBDSA-N 2 1 355.401 0.459 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711141 856255653 /nfs/dbraw/zinc/25/56/53/856255653.db2.gz KYOSGVDDQLATAN-ZFWWWQNUSA-N 2 1 365.865 0.070 20 0 FCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001220716741 856259782 /nfs/dbraw/zinc/25/97/82/856259782.db2.gz QDIFCCCRPBNLKD-JONQDZQNSA-N 2 1 369.531 0.532 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800695 856306713 /nfs/dbraw/zinc/30/67/13/856306713.db2.gz UFCMLDBRRINPRL-FRRDWIJNSA-N 3 1 364.412 0.096 20 0 FCADMP CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220800695 856306718 /nfs/dbraw/zinc/30/67/18/856306718.db2.gz UFCMLDBRRINPRL-FRRDWIJNSA-N 2 1 364.412 0.096 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870113 856349339 /nfs/dbraw/zinc/34/93/39/856349339.db2.gz GTSAFCNXLNLYFG-JTQLQIEISA-N 2 1 359.224 0.031 20 0 FCADMP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1=O)c1ccc(C(F)(F)F)cc1 ZINC001220874678 856351976 /nfs/dbraw/zinc/35/19/76/856351976.db2.gz LKODJAMTASBUEO-CYBMUJFWSA-N 2 1 358.364 0.643 20 0 FCADMP CCC(CC)[C@@H](NC(=O)[C@@H]1[NH2+]CCS1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221069962 856447769 /nfs/dbraw/zinc/44/77/69/856447769.db2.gz ACLIJONROSWDIB-RYQQKAPKSA-N 2 1 373.519 0.067 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221091514 856458023 /nfs/dbraw/zinc/45/80/23/856458023.db2.gz PRNGOHFEAVFXGE-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221091514 856458016 /nfs/dbraw/zinc/45/80/16/856458016.db2.gz PRNGOHFEAVFXGE-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221091514 856458019 /nfs/dbraw/zinc/45/80/19/856458019.db2.gz PRNGOHFEAVFXGE-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221091514 856458026 /nfs/dbraw/zinc/45/80/26/856458026.db2.gz PRNGOHFEAVFXGE-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407867 856560143 /nfs/dbraw/zinc/56/01/43/856560143.db2.gz FFUDXPCSXUVKOY-BARDWOONSA-N 2 1 354.495 0.532 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414581 856560287 /nfs/dbraw/zinc/56/02/87/856560287.db2.gz VEKZQCREQXWGPA-HRCADAONSA-N 2 1 355.866 0.798 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001221585177 856613440 /nfs/dbraw/zinc/61/34/40/856613440.db2.gz WTFOPWKBIJKLCR-VNQPRFMTSA-N 2 1 367.515 0.963 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001221585177 856613444 /nfs/dbraw/zinc/61/34/44/856613444.db2.gz WTFOPWKBIJKLCR-VNQPRFMTSA-N 2 1 367.515 0.963 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627471 856629053 /nfs/dbraw/zinc/62/90/53/856629053.db2.gz MPNBACYFMKNQRO-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627471 856629057 /nfs/dbraw/zinc/62/90/57/856629057.db2.gz MPNBACYFMKNQRO-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627471 856629059 /nfs/dbraw/zinc/62/90/59/856629059.db2.gz MPNBACYFMKNQRO-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627471 856629061 /nfs/dbraw/zinc/62/90/61/856629061.db2.gz MPNBACYFMKNQRO-IXDOHACOSA-N 2 1 350.507 0.918 20 0 FCADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]2CC1 ZINC001279308718 862821472 /nfs/dbraw/zinc/82/14/72/862821472.db2.gz JNEGRWKBGFOEAQ-OKILXGFUSA-N 2 1 352.435 0.652 20 0 FCADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]2CC1 ZINC001279308718 862821479 /nfs/dbraw/zinc/82/14/79/862821479.db2.gz JNEGRWKBGFOEAQ-OKILXGFUSA-N 2 1 352.435 0.652 20 0 FCADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]2CC1 ZINC001279308718 862821494 /nfs/dbraw/zinc/82/14/94/862821494.db2.gz JNEGRWKBGFOEAQ-OKILXGFUSA-N 2 1 352.435 0.652 20 0 FCADMP C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788448 856684533 /nfs/dbraw/zinc/68/45/33/856684533.db2.gz RSVFVSILMRMUIZ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788448 856684539 /nfs/dbraw/zinc/68/45/39/856684539.db2.gz RSVFVSILMRMUIZ-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221791499 856685451 /nfs/dbraw/zinc/68/54/51/856685451.db2.gz ONGSUSVMQNKPAB-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221791499 856685458 /nfs/dbraw/zinc/68/54/58/856685458.db2.gz ONGSUSVMQNKPAB-BZUAXINKSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221791393 856685868 /nfs/dbraw/zinc/68/58/68/856685868.db2.gz JHTZGORHRBAUPJ-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221791393 856685869 /nfs/dbraw/zinc/68/58/69/856685869.db2.gz JHTZGORHRBAUPJ-ARFHVFGLSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)C(C)C ZINC001221877944 856719815 /nfs/dbraw/zinc/71/98/15/856719815.db2.gz SNDLUKBILUQCKH-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)C(C)C ZINC001221877944 856719821 /nfs/dbraw/zinc/71/98/21/856719821.db2.gz SNDLUKBILUQCKH-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001221920622 856734760 /nfs/dbraw/zinc/73/47/60/856734760.db2.gz OJECBCOZZUZXJH-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221920622 856734764 /nfs/dbraw/zinc/73/47/64/856734764.db2.gz OJECBCOZZUZXJH-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001221920622 856734766 /nfs/dbraw/zinc/73/47/66/856734766.db2.gz OJECBCOZZUZXJH-IAGOWNOFSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945710 856743599 /nfs/dbraw/zinc/74/35/99/856743599.db2.gz XIEACBXHXSVPJN-BRWVUGGUSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945710 856743604 /nfs/dbraw/zinc/74/36/04/856743604.db2.gz XIEACBXHXSVPJN-BRWVUGGUSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945710 856743606 /nfs/dbraw/zinc/74/36/06/856743606.db2.gz XIEACBXHXSVPJN-BRWVUGGUSA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945710 856743610 /nfs/dbraw/zinc/74/36/10/856743610.db2.gz XIEACBXHXSVPJN-BRWVUGGUSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001221950628 856746357 /nfs/dbraw/zinc/74/63/57/856746357.db2.gz QEPASVRLANBZNQ-KZNAEPCWSA-N 2 1 353.507 0.914 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968856 856752052 /nfs/dbraw/zinc/75/20/52/856752052.db2.gz DGMJZBYDTZCRDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968856 856752058 /nfs/dbraw/zinc/75/20/58/856752058.db2.gz DGMJZBYDTZCRDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968856 856752065 /nfs/dbraw/zinc/75/20/65/856752065.db2.gz DGMJZBYDTZCRDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001221968856 856752072 /nfs/dbraw/zinc/75/20/72/856752072.db2.gz DGMJZBYDTZCRDM-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001222026972 856776063 /nfs/dbraw/zinc/77/60/63/856776063.db2.gz GDKRMYMJSMSFOX-QZTJIDSGSA-N 2 1 353.507 0.794 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001222083965 856797880 /nfs/dbraw/zinc/79/78/80/856797880.db2.gz QTLAMGPQEGRFPZ-QZTJIDSGSA-N 2 1 353.507 0.794 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089231 856798832 /nfs/dbraw/zinc/79/88/32/856798832.db2.gz FGKLFYVDUVKAGQ-FGTMMUONSA-N 2 1 353.507 0.793 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058579 856893846 /nfs/dbraw/zinc/89/38/46/856893846.db2.gz SWTGKYQDWSBGFP-IKGGRYGDSA-N 2 1 351.491 0.545 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424564 856915121 /nfs/dbraw/zinc/91/51/21/856915121.db2.gz DZVARPKZFKDPDD-SQNIBIBYSA-N 2 1 355.523 0.894 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498880 856920345 /nfs/dbraw/zinc/92/03/45/856920345.db2.gz CUAVXJHVUUQVMR-BBWFWOEESA-N 2 1 371.547 0.828 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498880 856920356 /nfs/dbraw/zinc/92/03/56/856920356.db2.gz CUAVXJHVUUQVMR-BBWFWOEESA-N 2 1 371.547 0.828 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498880 856920360 /nfs/dbraw/zinc/92/03/60/856920360.db2.gz CUAVXJHVUUQVMR-BBWFWOEESA-N 2 1 371.547 0.828 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223498880 856920366 /nfs/dbraw/zinc/92/03/66/856920366.db2.gz CUAVXJHVUUQVMR-BBWFWOEESA-N 2 1 371.547 0.828 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505417 856922199 /nfs/dbraw/zinc/92/21/99/856922199.db2.gz AWGCNFWMBLQZON-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505417 856922203 /nfs/dbraw/zinc/92/22/03/856922203.db2.gz AWGCNFWMBLQZON-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505417 856922207 /nfs/dbraw/zinc/92/22/07/856922207.db2.gz AWGCNFWMBLQZON-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505417 856922210 /nfs/dbraw/zinc/92/22/10/856922210.db2.gz AWGCNFWMBLQZON-BBWFWOEESA-N 2 1 371.547 0.686 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522010 856922667 /nfs/dbraw/zinc/92/26/67/856922667.db2.gz KUZNTCYUKCXPOT-ZACQAIPSSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522010 856922675 /nfs/dbraw/zinc/92/26/75/856922675.db2.gz KUZNTCYUKCXPOT-ZACQAIPSSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522010 856922682 /nfs/dbraw/zinc/92/26/82/856922682.db2.gz KUZNTCYUKCXPOT-ZACQAIPSSA-N 2 1 355.523 0.894 20 0 FCADMP CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001223526895 856922911 /nfs/dbraw/zinc/92/29/11/856922911.db2.gz FFJHNNZUUZHXBW-UHFFFAOYSA-N 2 1 354.495 0.651 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001223512755 856923774 /nfs/dbraw/zinc/92/37/74/856923774.db2.gz NTJALELUDMVBRY-PMPSAXMXSA-N 2 1 359.536 0.684 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1)[NH+](C)C ZINC001223512755 856923775 /nfs/dbraw/zinc/92/37/75/856923775.db2.gz NTJALELUDMVBRY-PMPSAXMXSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CCOCC(F)F)CC2)O1 ZINC001223570865 856925931 /nfs/dbraw/zinc/92/59/31/856925931.db2.gz SKZJFEQNPONFCB-UKRRQHHQSA-N 2 1 363.449 0.815 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223837979 856944899 /nfs/dbraw/zinc/94/48/99/856944899.db2.gz DPMCRJUYEQATID-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223837979 856944902 /nfs/dbraw/zinc/94/49/02/856944902.db2.gz DPMCRJUYEQATID-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001223837979 856944909 /nfs/dbraw/zinc/94/49/09/856944909.db2.gz DPMCRJUYEQATID-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223912424 856950675 /nfs/dbraw/zinc/95/06/75/856950675.db2.gz TWQLERULANTEHI-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223912424 856950685 /nfs/dbraw/zinc/95/06/85/856950685.db2.gz TWQLERULANTEHI-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912424 856950696 /nfs/dbraw/zinc/95/06/96/856950696.db2.gz TWQLERULANTEHI-KURKYZTESA-N 2 1 353.507 0.914 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129017 856961762 /nfs/dbraw/zinc/96/17/62/856961762.db2.gz CMYFIMACMWEFRF-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129017 856961766 /nfs/dbraw/zinc/96/17/66/856961766.db2.gz CMYFIMACMWEFRF-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129017 856961771 /nfs/dbraw/zinc/96/17/71/856961771.db2.gz CMYFIMACMWEFRF-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129017 856961773 /nfs/dbraw/zinc/96/17/73/856961773.db2.gz CMYFIMACMWEFRF-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224141073 856962094 /nfs/dbraw/zinc/96/20/94/856962094.db2.gz WJHTUXUVIKOELW-SJORKVTESA-N 2 1 350.463 0.777 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224141073 856962096 /nfs/dbraw/zinc/96/20/96/856962096.db2.gz WJHTUXUVIKOELW-SJORKVTESA-N 2 1 350.463 0.777 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225346441 857036016 /nfs/dbraw/zinc/03/60/16/857036016.db2.gz MTQJBTDHWKQVKP-BZUAXINKSA-N 2 1 359.536 0.922 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)C1 ZINC001226766237 857124553 /nfs/dbraw/zinc/12/45/53/857124553.db2.gz KFWMAWOZCJFIJE-RCCFBDPRSA-N 2 1 355.523 0.990 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028794 857138335 /nfs/dbraw/zinc/13/83/35/857138335.db2.gz NFZNNSDACPKQIJ-KLHDSHLOSA-N 2 1 354.495 0.247 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028794 857138340 /nfs/dbraw/zinc/13/83/40/857138340.db2.gz NFZNNSDACPKQIJ-KLHDSHLOSA-N 2 1 354.495 0.247 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001227150170 857146182 /nfs/dbraw/zinc/14/61/82/857146182.db2.gz LLTJPRKSSJVEKN-MCIONIFRSA-N 2 1 352.479 0.539 20 0 FCADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525583 857163437 /nfs/dbraw/zinc/16/34/37/857163437.db2.gz ZYZPVIZUGKVMQM-HUUCEWRRSA-N 2 1 371.507 0.148 20 0 FCADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C(=O)N(C)C ZINC001229141367 857253401 /nfs/dbraw/zinc/25/34/01/857253401.db2.gz DOIDEKLTNTWFDN-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)C1 ZINC001229683236 857281897 /nfs/dbraw/zinc/28/18/97/857281897.db2.gz RRRMPNPYXNETPH-BZUAXINKSA-N 2 1 359.536 0.780 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001230138010 857305652 /nfs/dbraw/zinc/30/56/52/857305652.db2.gz BLHKTUUDIHRXGI-BZUAXINKSA-N 2 1 371.547 0.780 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001230147328 857307281 /nfs/dbraw/zinc/30/72/81/857307281.db2.gz CLEHHKXCWPZQHA-HUUCEWRRSA-N 2 1 356.492 0.643 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230274662 857322775 /nfs/dbraw/zinc/32/27/75/857322775.db2.gz FEPGVHHQHWYAAV-MCIONIFRSA-N 2 1 353.467 0.073 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001230284504 857322801 /nfs/dbraw/zinc/32/28/01/857322801.db2.gz ILEQJPKNIKSOLQ-HUUCEWRRSA-N 2 1 362.540 0.235 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC001279467136 862899634 /nfs/dbraw/zinc/89/96/34/862899634.db2.gz IQKCSQOKRDSPMN-ULQDDVLXSA-N 2 1 350.507 0.239 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001231312256 857358478 /nfs/dbraw/zinc/35/84/78/857358478.db2.gz FXDOCRKJESBICA-QGZVFWFLSA-N 2 1 355.527 0.158 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235723034 857431219 /nfs/dbraw/zinc/43/12/19/857431219.db2.gz NZLZYRUBKXVCPW-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001239076763 857506162 /nfs/dbraw/zinc/50/61/62/857506162.db2.gz GALMVSCVCFPTSF-ZWKOTPCHSA-N 2 1 371.547 0.735 20 0 FCADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001279504402 862920923 /nfs/dbraw/zinc/92/09/23/862920923.db2.gz IDWVXDHTCQPIJP-XSLAGTTESA-N 2 1 353.507 0.912 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001245979035 857561644 /nfs/dbraw/zinc/56/16/44/857561644.db2.gz SAILABXWTRHBJQ-FJIDUMEYSA-N 2 1 355.429 0.696 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CC[C@H]1CCOC12C[NH2+]C2 ZINC001245981908 857562759 /nfs/dbraw/zinc/56/27/59/857562759.db2.gz HEAOWEGEBGYOJE-RRQGHBQHSA-N 2 1 355.429 0.554 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001246018438 857563914 /nfs/dbraw/zinc/56/39/14/857563914.db2.gz DLGUSDIERJRFDU-IEBWSBKVSA-N 2 1 352.475 0.791 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246159701 857570431 /nfs/dbraw/zinc/57/04/31/857570431.db2.gz ZFTDUEQCDPKRLQ-PHXFHCBBSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@@H]([NH3+])c1cc(F)c(N([C@@H]2CC[NH2+]C3(CNC3)C2)S(C)(=O)=O)c(F)c1 ZINC001246465875 857581504 /nfs/dbraw/zinc/58/15/04/857581504.db2.gz OUMMBYZJRXAAEB-ZYHUDNBSSA-N 2 1 374.457 0.845 20 0 FCADMP C[NH+]1CCC(C[NH+]2CCN(C(=S)NCCC[S@](C)=O)CC2)CC1 ZINC001246501981 857582541 /nfs/dbraw/zinc/58/25/41/857582541.db2.gz CFQMMYMZMMXRAR-QHCPKHFHSA-N 2 1 360.593 0.589 20 0 FCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246523106 857583528 /nfs/dbraw/zinc/58/35/28/857583528.db2.gz MLSSNSCXIFVNML-QPSCCSFWSA-N 2 1 358.552 0.854 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246581590 857584610 /nfs/dbraw/zinc/58/46/10/857584610.db2.gz RXNNBNZBRLDDJE-YOEHRIQHSA-N 2 1 353.488 0.400 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246581590 857584616 /nfs/dbraw/zinc/58/46/16/857584616.db2.gz RXNNBNZBRLDDJE-YOEHRIQHSA-N 2 1 353.488 0.400 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H]1CCN[C@H](C(=O)OC)C1)CC[NH2+]CC2 ZINC001246604005 857585701 /nfs/dbraw/zinc/58/57/01/857585701.db2.gz PYLLODOUQMOZOO-QLFBSQMISA-N 2 1 353.463 0.287 20 0 FCADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757884 857598417 /nfs/dbraw/zinc/59/84/17/857598417.db2.gz WOYYPYJCJKWDPJ-SFFUCWETSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757884 857598425 /nfs/dbraw/zinc/59/84/25/857598425.db2.gz WOYYPYJCJKWDPJ-SFFUCWETSA-N 2 1 351.491 0.713 20 0 FCADMP COC(=O)[C@@H](N)[C@@H]1CCC[N@H+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926499 857606765 /nfs/dbraw/zinc/60/67/65/857606765.db2.gz TXZJNIJBIVRUQP-MQPNKABOSA-N 2 1 353.463 0.271 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246976361 857607921 /nfs/dbraw/zinc/60/79/21/857607921.db2.gz OHQSMRDXIZOHOQ-AYXTYWIVSA-N 3 1 350.507 0.556 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)N2 ZINC001246976361 857607923 /nfs/dbraw/zinc/60/79/23/857607923.db2.gz OHQSMRDXIZOHOQ-AYXTYWIVSA-N 2 1 350.507 0.556 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)N2 ZINC001246976361 857607925 /nfs/dbraw/zinc/60/79/25/857607925.db2.gz OHQSMRDXIZOHOQ-AYXTYWIVSA-N 2 1 350.507 0.556 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC001250968780 857672855 /nfs/dbraw/zinc/67/28/55/857672855.db2.gz GOLWHUYTGVEAOI-ZDUSSCGKSA-N 2 1 367.412 0.412 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC001250968780 857672858 /nfs/dbraw/zinc/67/28/58/857672858.db2.gz GOLWHUYTGVEAOI-ZDUSSCGKSA-N 2 1 367.412 0.412 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001251589091 857733408 /nfs/dbraw/zinc/73/34/08/857733408.db2.gz RGEBHUCRCGCGEV-VXGBXAGGSA-N 2 1 373.391 0.407 20 0 FCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001251589091 857733411 /nfs/dbraw/zinc/73/34/11/857733411.db2.gz RGEBHUCRCGCGEV-VXGBXAGGSA-N 2 1 373.391 0.407 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253166047 857867889 /nfs/dbraw/zinc/86/78/89/857867889.db2.gz GLWFJNVCQZSJMY-GOSISDBHSA-N 2 1 352.475 0.662 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001253186042 857870567 /nfs/dbraw/zinc/87/05/67/857870567.db2.gz KPTWKUFMWQYGGV-LMMKCTJWSA-N 2 1 353.507 0.554 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001253186042 857870571 /nfs/dbraw/zinc/87/05/71/857870571.db2.gz KPTWKUFMWQYGGV-LMMKCTJWSA-N 2 1 353.507 0.554 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001253202488 857871585 /nfs/dbraw/zinc/87/15/85/857871585.db2.gz IWWJYXJPSDETNR-ZJIFWQFVSA-N 2 1 357.495 0.913 20 0 FCADMP COCC[N@H+]1CCOC[C@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253388276 857884021 /nfs/dbraw/zinc/88/40/21/857884021.db2.gz DXMVZLNINNXHGH-IEBWSBKVSA-N 2 1 357.539 0.796 20 0 FCADMP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253389753 857885095 /nfs/dbraw/zinc/88/50/95/857885095.db2.gz CYULERIHYHXLTG-VQHPVUNQSA-N 2 1 355.523 0.845 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1 ZINC001254517166 857976165 /nfs/dbraw/zinc/97/61/65/857976165.db2.gz FFRMSFIMBTYEII-HKUYNNGSSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1 ZINC001254517166 857976176 /nfs/dbraw/zinc/97/61/76/857976176.db2.gz FFRMSFIMBTYEII-HKUYNNGSSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517166 857976181 /nfs/dbraw/zinc/97/61/81/857976181.db2.gz FFRMSFIMBTYEII-HKUYNNGSSA-N 2 1 352.523 0.631 20 0 FCADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC001255191843 858001008 /nfs/dbraw/zinc/00/10/08/858001008.db2.gz OWBTYVJGEBQCLB-MUJYYYPQSA-N 2 1 352.479 0.892 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC001255485469 858014789 /nfs/dbraw/zinc/01/47/89/858014789.db2.gz PMKCLJNGBSLQHO-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001255485469 858014795 /nfs/dbraw/zinc/01/47/95/858014795.db2.gz PMKCLJNGBSLQHO-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001255485469 858014800 /nfs/dbraw/zinc/01/48/00/858014800.db2.gz PMKCLJNGBSLQHO-KRWDZBQOSA-N 2 1 352.523 0.583 20 0 FCADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001255969347 858042885 /nfs/dbraw/zinc/04/28/85/858042885.db2.gz YOHYCJMNHHYZSX-DOTOQJQBSA-N 2 1 352.523 0.975 20 0 FCADMP C[NH+]1CCC([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001256198015 858055980 /nfs/dbraw/zinc/05/59/80/858055980.db2.gz YAUSLPPSLFVFFY-UHFFFAOYSA-N 2 1 366.531 0.677 20 0 FCADMP CN(C)S(=O)(=O)N1CCC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615150 862980254 /nfs/dbraw/zinc/98/02/54/862980254.db2.gz LECHUCYDCXIHAR-KRWDZBQOSA-N 2 1 358.552 0.970 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCCOC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279618381 862983960 /nfs/dbraw/zinc/98/39/60/862983960.db2.gz WHNBUSLQCBHVQC-MJGOQNOKSA-N 2 1 352.523 0.631 20 0 FCADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001257726510 858157216 /nfs/dbraw/zinc/15/72/16/858157216.db2.gz IHXDZLXMRUJJOR-ARFHVFGLSA-N 2 1 356.463 0.818 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C(=O)OC ZINC001257731243 858157929 /nfs/dbraw/zinc/15/79/29/858157929.db2.gz VYLPOISFLWQJDI-BORJPKMPSA-N 2 1 353.463 0.130 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C[C@H]1C(=O)OC ZINC001257731240 858158388 /nfs/dbraw/zinc/15/83/88/858158388.db2.gz VYLPOISFLWQJDI-ADAWSYLGSA-N 2 1 353.463 0.130 20 0 FCADMP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046564 858765790 /nfs/dbraw/zinc/76/57/90/858765790.db2.gz SSSVERNJICTCAE-ROUUACIJSA-N 2 1 352.523 0.679 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC001262064425 858769642 /nfs/dbraw/zinc/76/96/42/858769642.db2.gz ZVTFSSPTFMOQMF-VGWMRTNUSA-N 2 1 354.495 0.093 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001262482542 858956536 /nfs/dbraw/zinc/95/65/36/858956536.db2.gz FSDXGHIBVMOPAW-MELADBBJSA-N 2 1 366.535 0.989 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001262482542 858956544 /nfs/dbraw/zinc/95/65/44/858956544.db2.gz FSDXGHIBVMOPAW-MELADBBJSA-N 2 1 366.535 0.989 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001262614822 859018852 /nfs/dbraw/zinc/01/88/52/859018852.db2.gz RGDOZOWPDQRLEG-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001262614822 859018858 /nfs/dbraw/zinc/01/88/58/859018858.db2.gz RGDOZOWPDQRLEG-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001262614822 859018864 /nfs/dbraw/zinc/01/88/64/859018864.db2.gz RGDOZOWPDQRLEG-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001262782076 859046918 /nfs/dbraw/zinc/04/69/18/859046918.db2.gz VUNIWDZDOPTCSA-CYBMUJFWSA-N 2 1 352.410 0.525 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001264095906 859309552 /nfs/dbraw/zinc/30/95/52/859309552.db2.gz AAMNBSXHPSCTIY-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001264653445 859415603 /nfs/dbraw/zinc/41/56/03/859415603.db2.gz XKHZRWKPKMJSMQ-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001264653445 859415607 /nfs/dbraw/zinc/41/56/07/859415607.db2.gz XKHZRWKPKMJSMQ-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)C1 ZINC001271652522 859985880 /nfs/dbraw/zinc/98/58/80/859985880.db2.gz NLGFXOIYCZSHKH-LPHOPBHVSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001272744867 860244564 /nfs/dbraw/zinc/24/45/64/860244564.db2.gz LNOQLBSMBLCSSI-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2CC1 ZINC001272746233 860245204 /nfs/dbraw/zinc/24/52/04/860245204.db2.gz XDVWLEWDWTUCDV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2CC1 ZINC001272746233 860245213 /nfs/dbraw/zinc/24/52/13/860245213.db2.gz XDVWLEWDWTUCDV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2CC1 ZINC001272746233 860245219 /nfs/dbraw/zinc/24/52/19/860245219.db2.gz XDVWLEWDWTUCDV-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273211134 860410811 /nfs/dbraw/zinc/41/08/11/860410811.db2.gz VAYWEUBCYUIXGF-AWEZNQCLSA-N 2 1 350.488 0.816 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273211134 860410815 /nfs/dbraw/zinc/41/08/15/860410815.db2.gz VAYWEUBCYUIXGF-AWEZNQCLSA-N 2 1 350.488 0.816 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211134 860410820 /nfs/dbraw/zinc/41/08/20/860410820.db2.gz VAYWEUBCYUIXGF-AWEZNQCLSA-N 2 1 350.488 0.816 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211134 860410825 /nfs/dbraw/zinc/41/08/25/860410825.db2.gz VAYWEUBCYUIXGF-AWEZNQCLSA-N 2 1 350.488 0.816 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)CC1 ZINC001273405876 860480531 /nfs/dbraw/zinc/48/05/31/860480531.db2.gz VYEHNBKAPAKTNE-IRXDYDNUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)CC1 ZINC001273405876 860480532 /nfs/dbraw/zinc/48/05/32/860480532.db2.gz VYEHNBKAPAKTNE-IRXDYDNUSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001273453154 860493806 /nfs/dbraw/zinc/49/38/06/860493806.db2.gz HRALCINMALATLC-HOTGVXAUSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH+](C)C3)C[C@H]2CC1 ZINC001273834982 860614378 /nfs/dbraw/zinc/61/43/78/860614378.db2.gz JVBOLWHEHGAZEH-IXDOHACOSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273834982 860614383 /nfs/dbraw/zinc/61/43/83/860614383.db2.gz JVBOLWHEHGAZEH-IXDOHACOSA-N 2 1 350.507 0.587 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273834982 860614389 /nfs/dbraw/zinc/61/43/89/860614389.db2.gz JVBOLWHEHGAZEH-IXDOHACOSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC3CCOCC3)CC2)CC[N@H+]1C ZINC001274519923 860768844 /nfs/dbraw/zinc/76/88/44/860768844.db2.gz CONVGNQRWJGNKJ-NVXWUHKLSA-N 2 1 353.507 0.696 20 0 FCADMP Cc1ncsc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274907621 860867686 /nfs/dbraw/zinc/86/76/86/860867686.db2.gz FEMCSIQTFROOCL-KBPBESRZSA-N 2 1 350.488 0.551 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274907621 860867694 /nfs/dbraw/zinc/86/76/94/860867694.db2.gz FEMCSIQTFROOCL-KBPBESRZSA-N 2 1 350.488 0.551 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274907621 860867706 /nfs/dbraw/zinc/86/77/06/860867706.db2.gz FEMCSIQTFROOCL-KBPBESRZSA-N 2 1 350.488 0.551 20 0 FCADMP CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@@H+](C)CCN3C)(C1)CCC2 ZINC001275176852 860979107 /nfs/dbraw/zinc/97/91/07/860979107.db2.gz MBKHXMQZKMEBRW-NZSAHSFTSA-N 2 1 351.539 0.345 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(CO)o1)C2 ZINC001275255054 861006403 /nfs/dbraw/zinc/00/64/03/861006403.db2.gz REPVYMHLEAKZPQ-GOSISDBHSA-N 2 1 351.447 0.384 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(CO)o1)C2 ZINC001275255054 861006421 /nfs/dbraw/zinc/00/64/21/861006421.db2.gz REPVYMHLEAKZPQ-GOSISDBHSA-N 2 1 351.447 0.384 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275507882 861115051 /nfs/dbraw/zinc/11/50/51/861115051.db2.gz LJEIKRXVGLQEJV-IBGZPJMESA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275507882 861115058 /nfs/dbraw/zinc/11/50/58/861115058.db2.gz LJEIKRXVGLQEJV-IBGZPJMESA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275507882 861115066 /nfs/dbraw/zinc/11/50/66/861115066.db2.gz LJEIKRXVGLQEJV-IBGZPJMESA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001275511697 861117648 /nfs/dbraw/zinc/11/76/48/861117648.db2.gz NGOHKYGYVXPYCP-IBGZPJMESA-N 2 1 352.523 0.977 20 0 FCADMP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275555431 861126275 /nfs/dbraw/zinc/12/62/75/861126275.db2.gz BFXSUKICHYVTIY-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001275555865 861127717 /nfs/dbraw/zinc/12/77/17/861127717.db2.gz DGZVFRMXNKYOAV-IBGZPJMESA-N 3 1 352.523 0.441 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnc(N)s1)C2 ZINC001275733059 861173867 /nfs/dbraw/zinc/17/38/67/861173867.db2.gz LLUMTWOWAZPECY-INIZCTEOSA-N 2 1 353.492 0.338 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnc(N)s1)C2 ZINC001275733059 861173873 /nfs/dbraw/zinc/17/38/73/861173873.db2.gz LLUMTWOWAZPECY-INIZCTEOSA-N 2 1 353.492 0.338 20 0 FCADMP O=C1CO[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)CN1CC1CCOCC1 ZINC001275736103 861178915 /nfs/dbraw/zinc/17/89/15/861178915.db2.gz AVJMYRVQTOTMJC-IBGZPJMESA-N 2 1 351.491 0.716 20 0 FCADMP CC[C@H](C(N)=O)N1CC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736795 861179919 /nfs/dbraw/zinc/17/99/19/861179919.db2.gz HIFIZCXALWLKHF-APWZRJJASA-N 2 1 350.507 0.955 20 0 FCADMP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737880 861181968 /nfs/dbraw/zinc/18/19/68/861181968.db2.gz QJJDPTMPAIYKMC-IBGZPJMESA-N 2 1 350.507 0.968 20 0 FCADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC[NH2+]CC2)N1CCN1CCOCC1 ZINC001275738411 861182358 /nfs/dbraw/zinc/18/23/58/861182358.db2.gz YJHAWESRLRBNLK-QZTJIDSGSA-N 2 1 350.507 0.384 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]23)CC1 ZINC001279891647 863118280 /nfs/dbraw/zinc/11/82/80/863118280.db2.gz DVFHFECPLOBDNH-CWRNSKLLSA-N 2 1 350.463 0.262 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](CC4CCOCC4)C3)O2)CC1 ZINC001279891455 863118475 /nfs/dbraw/zinc/11/84/75/863118475.db2.gz ICLDKMXHDPXTSJ-QGZVFWFLSA-N 2 1 351.491 0.857 20 0 FCADMP C[NH+]1CCC(NC(=O)C[C@H]2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3O2)CC1 ZINC001279893954 863120287 /nfs/dbraw/zinc/12/02/87/863120287.db2.gz NNWYRMZLJYRYLK-AHCXZYCDSA-N 2 1 351.491 0.713 20 0 FCADMP CN1CCC([N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001280071247 863242526 /nfs/dbraw/zinc/24/25/26/863242526.db2.gz OFCQTMDUMYOJEM-LJQANCHMSA-N 2 1 351.539 0.299 20 0 FCADMP C[NH+](C)CCN1CCN(C2CC[NH+](C)CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280071247 863242540 /nfs/dbraw/zinc/24/25/40/863242540.db2.gz OFCQTMDUMYOJEM-LJQANCHMSA-N 2 1 351.539 0.299 20 0 FCADMP C[C@@H]1CN(C(=O)C2=NO[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]23)C[C@@H](C)O1 ZINC001280138536 863289223 /nfs/dbraw/zinc/28/92/23/863289223.db2.gz ZVRSWGDMOJHCAX-LUYZLQTOSA-N 2 1 350.463 0.308 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CC3(C)COC3)C[C@H]12 ZINC001280180655 863311426 /nfs/dbraw/zinc/31/14/26/863311426.db2.gz OZLIKCWMKRYKOD-LSDHHAIUSA-N 2 1 352.479 0.510 20 0 FCADMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]23)CC1 ZINC001280205243 863335325 /nfs/dbraw/zinc/33/53/25/863335325.db2.gz PYLBGOXTGZOACX-HRCADAONSA-N 2 1 350.463 0.453 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280249849 863361223 /nfs/dbraw/zinc/36/12/23/863361223.db2.gz HELRKECOTGHGGG-JKSUJKDBSA-N 2 1 350.463 0.168 20 0 FCADMP C[N@H+]1CCC[C@H](CN2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)C1 ZINC001280262037 863368478 /nfs/dbraw/zinc/36/84/78/863368478.db2.gz WQNQMHNVINSELD-HOCLYGCPSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)C1 ZINC001280262037 863368488 /nfs/dbraw/zinc/36/84/88/863368488.db2.gz WQNQMHNVINSELD-HOCLYGCPSA-N 2 1 353.532 0.898 20 0 FCADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)SCC[C@H]3C(=O)NCC2COC2)C1 ZINC001280262037 863368499 /nfs/dbraw/zinc/36/84/99/863368499.db2.gz WQNQMHNVINSELD-HOCLYGCPSA-N 2 1 353.532 0.898 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280262100 863369283 /nfs/dbraw/zinc/36/92/83/863369283.db2.gz XXPKJZYHGVUQFT-HUUCEWRRSA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCSC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280262100 863369293 /nfs/dbraw/zinc/36/92/93/863369293.db2.gz XXPKJZYHGVUQFT-HUUCEWRRSA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCSC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280262100 863369304 /nfs/dbraw/zinc/36/93/04/863369304.db2.gz XXPKJZYHGVUQFT-HUUCEWRRSA-N 2 1 368.547 0.340 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]21 ZINC001288980068 864834888 /nfs/dbraw/zinc/83/48/88/864834888.db2.gz PFPSTHYCOGKPDL-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001288980068 864834904 /nfs/dbraw/zinc/83/49/04/864834904.db2.gz PFPSTHYCOGKPDL-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001288980068 864834924 /nfs/dbraw/zinc/83/49/24/864834924.db2.gz PFPSTHYCOGKPDL-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294457490 865835559 /nfs/dbraw/zinc/83/55/59/865835559.db2.gz MQZDKCATKUOJGI-AEFFLSMTSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294457490 865835570 /nfs/dbraw/zinc/83/55/70/865835570.db2.gz MQZDKCATKUOJGI-AEFFLSMTSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294457490 865835576 /nfs/dbraw/zinc/83/55/76/865835576.db2.gz MQZDKCATKUOJGI-AEFFLSMTSA-N 2 1 350.511 0.821 20 0 FCADMP [NH3+]Cc1nc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1 ZINC001349398336 866329718 /nfs/dbraw/zinc/32/97/18/866329718.db2.gz INDWPHPDGAKYDC-NEPJUHHUSA-N 2 1 351.476 0.322 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351786636 866968808 /nfs/dbraw/zinc/96/88/08/866968808.db2.gz GNCUKLCBYMIHFI-JQHSSLGASA-N 2 1 351.539 0.994 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC001353245177 867380594 /nfs/dbraw/zinc/38/05/94/867380594.db2.gz JLMYGDNMJKACEE-BZUAXINKSA-N 2 1 354.495 0.237 20 0 FCADMP C[N@@H+](CCC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1)C1CCCCC1 ZINC001316755098 867452642 /nfs/dbraw/zinc/45/26/42/867452642.db2.gz DXLWGUVJVYGBAT-CVEARBPZSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](CCC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1)C1CCCCC1 ZINC001316755098 867452655 /nfs/dbraw/zinc/45/26/55/867452655.db2.gz DXLWGUVJVYGBAT-CVEARBPZSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](CCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)C1CCCCC1 ZINC001316755098 867452665 /nfs/dbraw/zinc/45/26/65/867452665.db2.gz DXLWGUVJVYGBAT-CVEARBPZSA-N 2 1 350.507 0.907 20 0 FCADMP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001356616931 868034246 /nfs/dbraw/zinc/03/42/46/868034246.db2.gz BDQKESWYVNLBJD-PKOBYXMFSA-N 2 1 350.459 0.604 20 0 FCADMP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001356616931 868034260 /nfs/dbraw/zinc/03/42/60/868034260.db2.gz BDQKESWYVNLBJD-PKOBYXMFSA-N 2 1 350.459 0.604 20 0 FCADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558893 868132454 /nfs/dbraw/zinc/13/24/54/868132454.db2.gz ARXHNPWIPVBEIK-HZPDHXFCSA-N 2 1 354.495 0.291 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001322272278 868780676 /nfs/dbraw/zinc/78/06/76/868780676.db2.gz MSVRQALEUWBWLK-MRXNPFEDSA-N 2 1 354.495 0.143 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001322551484 868856656 /nfs/dbraw/zinc/85/66/56/868856656.db2.gz PNLSZUMUFOKYPX-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725292 868921428 /nfs/dbraw/zinc/92/14/28/868921428.db2.gz SWXUKUCVACDJEL-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725292 868921433 /nfs/dbraw/zinc/92/14/33/868921433.db2.gz SWXUKUCVACDJEL-CABCVRRESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC001322771402 868939033 /nfs/dbraw/zinc/93/90/33/868939033.db2.gz RXOBFDARDYVTDP-KRWDZBQOSA-N 2 1 351.539 0.108 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001325515827 869919764 /nfs/dbraw/zinc/91/97/64/869919764.db2.gz LDGFIPUQOFVWQE-HOCLYGCPSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001325515827 869919770 /nfs/dbraw/zinc/91/97/70/869919770.db2.gz LDGFIPUQOFVWQE-HOCLYGCPSA-N 2 1 354.495 0.155 20 0 FCADMP [NH3+]C[C@H](O)CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001343453626 870436938 /nfs/dbraw/zinc/43/69/38/870436938.db2.gz QTHUBRQOXWVNEJ-CQSZACIVSA-N 2 1 354.882 0.678 20 0 FCADMP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)N1 ZINC001326983365 870603395 /nfs/dbraw/zinc/60/33/95/870603395.db2.gz AOOIDPGAHRYVPG-NSWWBONSSA-N 2 1 350.463 0.740 20 0 FCADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457402 871443072 /nfs/dbraw/zinc/44/30/72/871443072.db2.gz RILJTCGVJYFXIE-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001328457402 871443085 /nfs/dbraw/zinc/44/30/85/871443085.db2.gz RILJTCGVJYFXIE-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001328457402 871443096 /nfs/dbraw/zinc/44/30/96/871443096.db2.gz RILJTCGVJYFXIE-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP C/C(=C/C(=O)NC[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC001345921574 871561252 /nfs/dbraw/zinc/56/12/52/871561252.db2.gz PVFPEWCPYVSLRP-GNBKXHOFSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001345921574 871561255 /nfs/dbraw/zinc/56/12/55/871561255.db2.gz PVFPEWCPYVSLRP-GNBKXHOFSA-N 2 1 350.507 0.849 20 0 FCADMP C/C(=C/C(=O)NC[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001345921574 871561264 /nfs/dbraw/zinc/56/12/64/871561264.db2.gz PVFPEWCPYVSLRP-GNBKXHOFSA-N 2 1 350.507 0.849 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](CO)[C@@H](O)C3)CC2)CC1 ZINC001329065598 871806280 /nfs/dbraw/zinc/80/62/80/871806280.db2.gz FKGRIHMIRYEKMK-AEFFLSMTSA-N 2 1 353.507 0.384 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001346425403 871833904 /nfs/dbraw/zinc/83/39/04/871833904.db2.gz GCVRIVRYYIJARB-IRXDYDNUSA-N 2 1 355.527 0.422 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3CCO)C2 ZINC001346537619 871890369 /nfs/dbraw/zinc/89/03/69/871890369.db2.gz KWCPJUVGJIKLHL-KBPBESRZSA-N 2 1 365.503 0.611 20 0 FCADMP C[C@@H](C(=O)NC[C@H]1CCCO1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330776825 872808258 /nfs/dbraw/zinc/80/82/58/872808258.db2.gz AXHUMXLISSOANU-XJKSGUPXSA-N 2 1 350.467 0.100 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC001348852473 872813130 /nfs/dbraw/zinc/81/31/30/872813130.db2.gz MOKBYNJTHIBVCW-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CSC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001331241075 873027380 /nfs/dbraw/zinc/02/73/80/873027380.db2.gz YXPVDCOWVKHDNQ-CQSZACIVSA-N 2 1 368.547 0.625 20 0 FCADMP CSC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC001331241075 873027396 /nfs/dbraw/zinc/02/73/96/873027396.db2.gz YXPVDCOWVKHDNQ-CQSZACIVSA-N 2 1 368.547 0.625 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCOC)C(N)=O)CC2)CC1 ZINC001332890751 873702974 /nfs/dbraw/zinc/70/29/74/873702974.db2.gz ZPYFPNUVCDCFRQ-MRXNPFEDSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926204 948990577 /nfs/dbraw/zinc/99/05/77/948990577.db2.gz KVYIHVGXFVNROQ-AWEZNQCLSA-N 2 1 357.462 0.899 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926348 948999146 /nfs/dbraw/zinc/99/91/46/948999146.db2.gz ODOKVQAXFGKZDY-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926428 949001744 /nfs/dbraw/zinc/00/17/44/949001744.db2.gz QEBGTAFVWZQBBO-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574962829 949740096 /nfs/dbraw/zinc/74/00/96/949740096.db2.gz CQUIYDUGDVCPTO-IHRRRGAJSA-N 2 1 372.477 0.578 20 0 FCADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574158026 950270016 /nfs/dbraw/zinc/27/00/16/950270016.db2.gz NBZDSFXAUWZJRG-KBPBESRZSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197178 950382415 /nfs/dbraw/zinc/38/24/15/950382415.db2.gz LGUCMJFFUCTGJZ-UONOGXRCSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203695 950447683 /nfs/dbraw/zinc/44/76/83/950447683.db2.gz IMQWERSEVMWCFF-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205102 950498238 /nfs/dbraw/zinc/49/82/38/950498238.db2.gz UCWFKXZSXNBDOF-CYBMUJFWSA-N 2 1 356.434 0.252 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205102 950498248 /nfs/dbraw/zinc/49/82/48/950498248.db2.gz UCWFKXZSXNBDOF-CYBMUJFWSA-N 2 1 356.434 0.252 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205315 950505752 /nfs/dbraw/zinc/50/57/52/950505752.db2.gz XBUASUBLEQMPJU-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205315 950505774 /nfs/dbraw/zinc/50/57/74/950505774.db2.gz XBUASUBLEQMPJU-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205315 950505789 /nfs/dbraw/zinc/50/57/89/950505789.db2.gz XBUASUBLEQMPJU-HOCLYGCPSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207397 950594567 /nfs/dbraw/zinc/59/45/67/950594567.db2.gz HCIVEGAMLOTXOB-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207397 950594587 /nfs/dbraw/zinc/59/45/87/950594587.db2.gz HCIVEGAMLOTXOB-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576207397 950594608 /nfs/dbraw/zinc/59/46/08/950594608.db2.gz HCIVEGAMLOTXOB-CQSZACIVSA-N 2 1 357.462 0.757 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571077786 952122189 /nfs/dbraw/zinc/12/21/89/952122189.db2.gz HECNORYRKLIDKT-HNNXBMFYSA-N 2 1 370.461 0.749 20 0 FCADMP Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000295215736 214284725 /nfs/dbraw/zinc/28/47/25/214284725.db2.gz QMULGTBCHHQXJR-CRAIPNDOSA-N 2 1 360.458 0.044 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413241321 529688644 /nfs/dbraw/zinc/68/86/44/529688644.db2.gz KADSDWMJJIHAPE-KRWDZBQOSA-N 2 1 369.554 0.813 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000265693342 210198092 /nfs/dbraw/zinc/19/80/92/210198092.db2.gz FZQMJMXKDHNNAM-KGLIPLIRSA-N 2 1 351.451 0.521 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000265693342 210198094 /nfs/dbraw/zinc/19/80/94/210198094.db2.gz FZQMJMXKDHNNAM-KGLIPLIRSA-N 2 1 351.451 0.521 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000410752684 529929370 /nfs/dbraw/zinc/92/93/70/529929370.db2.gz IFBYIGAKTFFCCW-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410752684 529929371 /nfs/dbraw/zinc/92/93/71/529929371.db2.gz IFBYIGAKTFFCCW-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410752684 529929372 /nfs/dbraw/zinc/92/93/72/529929372.db2.gz IFBYIGAKTFFCCW-QFBILLFUSA-N 2 1 350.507 0.873 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000930718823 674050915 /nfs/dbraw/zinc/05/09/15/674050915.db2.gz RKAPIGGXPCHLBP-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000930718823 674050920 /nfs/dbraw/zinc/05/09/20/674050920.db2.gz RKAPIGGXPCHLBP-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP CC1(C)CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000930718823 674050925 /nfs/dbraw/zinc/05/09/25/674050925.db2.gz RKAPIGGXPCHLBP-MRXNPFEDSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCCC1 ZINC000331480413 215003191 /nfs/dbraw/zinc/00/31/91/215003191.db2.gz HWOWFMBVXKBNQL-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331572065 215017767 /nfs/dbraw/zinc/01/77/67/215017767.db2.gz LQFOVSTVXSTWNJ-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)C1 ZINC000331594802 215019945 /nfs/dbraw/zinc/01/99/45/215019945.db2.gz OFQUNMGFHHJQNT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)C1 ZINC000331594802 215019948 /nfs/dbraw/zinc/01/99/48/215019948.db2.gz OFQUNMGFHHJQNT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)C1 ZINC000331594802 215019952 /nfs/dbraw/zinc/01/99/52/215019952.db2.gz OFQUNMGFHHJQNT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)C1 ZINC000331594802 215019954 /nfs/dbraw/zinc/01/99/54/215019954.db2.gz OFQUNMGFHHJQNT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000331624105 215025462 /nfs/dbraw/zinc/02/54/62/215025462.db2.gz GAHUFNVIVLTCKM-RHSMWYFYSA-N 2 1 354.520 0.237 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000331624105 215025464 /nfs/dbraw/zinc/02/54/64/215025464.db2.gz GAHUFNVIVLTCKM-RHSMWYFYSA-N 2 1 354.520 0.237 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331684058 215034387 /nfs/dbraw/zinc/03/43/87/215034387.db2.gz SAQXMOKBENBOOF-YJNKXOJESA-N 2 1 352.479 0.158 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000331718162 215038968 /nfs/dbraw/zinc/03/89/68/215038968.db2.gz PVIAZOSRRJPHOB-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)[C@@H]2C1 ZINC000331718162 215038970 /nfs/dbraw/zinc/03/89/70/215038970.db2.gz PVIAZOSRRJPHOB-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)[C@@H]2C1 ZINC000331718162 215038973 /nfs/dbraw/zinc/03/89/73/215038973.db2.gz PVIAZOSRRJPHOB-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000331801119 215048190 /nfs/dbraw/zinc/04/81/90/215048190.db2.gz QQWGRXPIAGOLAT-BRWVUGGUSA-N 2 1 350.507 0.907 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332061495 215086090 /nfs/dbraw/zinc/08/60/90/215086090.db2.gz YDMHQXLSEDKQRR-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000332061495 215086093 /nfs/dbraw/zinc/08/60/93/215086093.db2.gz YDMHQXLSEDKQRR-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332061495 215086097 /nfs/dbraw/zinc/08/60/97/215086097.db2.gz YDMHQXLSEDKQRR-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000264927108 210017901 /nfs/dbraw/zinc/01/79/01/210017901.db2.gz XOSFHLKRCXGBNL-UHFFFAOYSA-N 2 1 364.515 0.894 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)CC2)c1 ZINC000332167337 215104704 /nfs/dbraw/zinc/10/47/04/215104704.db2.gz VBJXJLULHNRIDV-JKSUJKDBSA-N 2 1 359.474 0.447 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332292363 215123647 /nfs/dbraw/zinc/12/36/47/215123647.db2.gz CTDZCJOOOLWGDD-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332375783 215139293 /nfs/dbraw/zinc/13/92/93/215139293.db2.gz RMGZSXNDGWMQJZ-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332378467 215140965 /nfs/dbraw/zinc/14/09/65/215140965.db2.gz AJSPOVWEVZWATM-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332378467 215140968 /nfs/dbraw/zinc/14/09/68/215140968.db2.gz AJSPOVWEVZWATM-IKGGRYGDSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000332378468 215141578 /nfs/dbraw/zinc/14/15/78/215141578.db2.gz AJSPOVWEVZWATM-ULQDDVLXSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000332378468 215141579 /nfs/dbraw/zinc/14/15/79/215141579.db2.gz AJSPOVWEVZWATM-ULQDDVLXSA-N 2 1 350.507 0.633 20 0 FCADMP COC(=O)[C@H]1CSCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000332387760 215142213 /nfs/dbraw/zinc/14/22/13/215142213.db2.gz WFGSCLQQVSPLCI-CQSZACIVSA-N 2 1 357.520 0.813 20 0 FCADMP COC(=O)[C@H]1CSCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000332387760 215142216 /nfs/dbraw/zinc/14/22/16/215142216.db2.gz WFGSCLQQVSPLCI-CQSZACIVSA-N 2 1 357.520 0.813 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332413743 215148434 /nfs/dbraw/zinc/14/84/34/215148434.db2.gz SPHAUUAHTPPEDY-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H]1C ZINC000332413743 215148438 /nfs/dbraw/zinc/14/84/38/215148438.db2.gz SPHAUUAHTPPEDY-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000332532502 215170587 /nfs/dbraw/zinc/17/05/87/215170587.db2.gz HQYPGGHFSNZZEK-HZPDHXFCSA-N 2 1 359.474 0.482 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000332525810 215168950 /nfs/dbraw/zinc/16/89/50/215168950.db2.gz NAYSCTRFTRHYNW-DLBZAZTESA-N 2 1 365.522 0.700 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333292862 215259877 /nfs/dbraw/zinc/25/98/77/215259877.db2.gz HZGDOMWHNNJAIT-SJORKVTESA-N 2 1 365.522 0.857 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333292862 215259880 /nfs/dbraw/zinc/25/98/80/215259880.db2.gz HZGDOMWHNNJAIT-SJORKVTESA-N 2 1 365.522 0.857 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000333298170 215260142 /nfs/dbraw/zinc/26/01/42/215260142.db2.gz IOIPAQBYRVRFNG-BBWFWOEESA-N 2 1 354.495 0.635 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)C1 ZINC000333333169 215266013 /nfs/dbraw/zinc/26/60/13/215266013.db2.gz WORULDCBFAZEJX-IAGOWNOFSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000333450635 215283183 /nfs/dbraw/zinc/28/31/83/215283183.db2.gz XMIIHGAOBPNGDO-ZACQAIPSSA-N 2 1 360.506 0.984 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000333494934 215289878 /nfs/dbraw/zinc/28/98/78/215289878.db2.gz DSZNXIFLJGYXPW-HZSPNIEDSA-N 2 1 363.428 0.558 20 0 FCADMP C[C@@H](CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000333605520 215301210 /nfs/dbraw/zinc/30/12/10/215301210.db2.gz PZPXCYFOLQEMQZ-DLBZAZTESA-N 2 1 365.522 0.857 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000333659228 215306170 /nfs/dbraw/zinc/30/61/70/215306170.db2.gz LHUZSLPCQZHNGR-FGTMMUONSA-N 2 1 367.538 0.693 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000333937040 215331630 /nfs/dbraw/zinc/33/16/30/215331630.db2.gz LCTFOHNNZWXCKN-KRWDZBQOSA-N 2 1 365.522 0.570 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000333936519 215332089 /nfs/dbraw/zinc/33/20/89/215332089.db2.gz KNKZWGRLTIIHJF-UHFFFAOYSA-N 2 1 351.495 0.326 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333941842 215333521 /nfs/dbraw/zinc/33/35/21/215333521.db2.gz PKQUNRFAKDQNLU-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000333941842 215333523 /nfs/dbraw/zinc/33/35/23/215333523.db2.gz PKQUNRFAKDQNLU-ZACQAIPSSA-N 2 1 365.522 0.713 20 0 FCADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)C2 ZINC000334092657 215344606 /nfs/dbraw/zinc/34/46/06/215344606.db2.gz OTORRQQBZXKFFF-HMQMGEFJSA-N 2 1 363.506 0.560 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334092657 215344610 /nfs/dbraw/zinc/34/46/10/215344610.db2.gz OTORRQQBZXKFFF-HMQMGEFJSA-N 2 1 363.506 0.560 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334092657 215344613 /nfs/dbraw/zinc/34/46/13/215344613.db2.gz OTORRQQBZXKFFF-HMQMGEFJSA-N 2 1 363.506 0.560 20 0 FCADMP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000360002941 215351042 /nfs/dbraw/zinc/35/10/42/215351042.db2.gz YWFNBOOAWATURR-HNNXBMFYSA-N 2 1 354.447 0.381 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443026 213341863 /nfs/dbraw/zinc/34/18/63/213341863.db2.gz ZCLOGPUHKBPREQ-CVEARBPZSA-N 2 1 359.474 0.943 20 0 FCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285218872 213305506 /nfs/dbraw/zinc/30/55/06/213305506.db2.gz RPCCEBFPDTVYIH-CEXWTWQISA-N 2 1 372.513 0.828 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000285086594 213280288 /nfs/dbraw/zinc/28/02/88/213280288.db2.gz PPASVVZKLIIMJW-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285086594 213280293 /nfs/dbraw/zinc/28/02/93/213280293.db2.gz PPASVVZKLIIMJW-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285086594 213280296 /nfs/dbraw/zinc/28/02/96/213280296.db2.gz PPASVVZKLIIMJW-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NCC[N@@H+](C)CCOC)c1 ZINC000284942017 213253270 /nfs/dbraw/zinc/25/32/70/213253270.db2.gz JKVPDZAZWMEPJN-UHFFFAOYSA-N 2 1 364.490 0.449 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000284303429 213107642 /nfs/dbraw/zinc/10/76/42/213107642.db2.gz YVBRVUJQFMSOIR-UHFFFAOYSA-N 2 1 358.486 0.919 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000283913328 213033879 /nfs/dbraw/zinc/03/38/79/213033879.db2.gz DIGLGYXMZFUQLI-QGZVFWFLSA-N 2 1 367.519 0.594 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283910815 213033628 /nfs/dbraw/zinc/03/36/28/213033628.db2.gz HYJNLHPAPZEGHI-KRWDZBQOSA-N 2 1 364.490 0.490 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366595518 216001969 /nfs/dbraw/zinc/00/19/69/216001969.db2.gz GUDILJHSFNLXSD-QLFBSQMISA-N 2 1 353.429 0.884 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000413141245 237286495 /nfs/dbraw/zinc/28/64/95/237286495.db2.gz PGJVZFOOYHXTCN-MRXNPFEDSA-N 2 1 356.511 0.707 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000366776548 216030730 /nfs/dbraw/zinc/03/07/30/216030730.db2.gz MUTJGBFRJILIQK-KRWDZBQOSA-N 2 1 368.522 0.994 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000413347106 237322323 /nfs/dbraw/zinc/32/23/23/237322323.db2.gz KEPJQKUYSFGNQG-KRWDZBQOSA-N 2 1 374.551 0.412 20 0 FCADMP C[C@@H]1[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000413443872 237335120 /nfs/dbraw/zinc/33/51/20/237335120.db2.gz RNPBCZFYSZVBJU-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCC[C@H]3CO)cc2C1 ZINC000246660836 209396991 /nfs/dbraw/zinc/39/69/91/209396991.db2.gz KONBNEXHNDLKHI-SFHVURJKSA-N 2 1 374.485 0.924 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCC[C@H]3CO)cc2C1 ZINC000246660836 209396994 /nfs/dbraw/zinc/39/69/94/209396994.db2.gz KONBNEXHNDLKHI-SFHVURJKSA-N 2 1 374.485 0.924 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2C1 ZINC000246660836 209396998 /nfs/dbraw/zinc/39/69/98/209396998.db2.gz KONBNEXHNDLKHI-SFHVURJKSA-N 2 1 374.485 0.924 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2C1 ZINC000246660836 209397001 /nfs/dbraw/zinc/39/70/01/209397001.db2.gz KONBNEXHNDLKHI-SFHVURJKSA-N 2 1 374.485 0.924 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1=O ZINC000246529954 209389130 /nfs/dbraw/zinc/38/91/30/209389130.db2.gz WNABXEBMODNAIL-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1=O ZINC000246529954 209389135 /nfs/dbraw/zinc/38/91/35/209389135.db2.gz WNABXEBMODNAIL-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1=O ZINC000246529954 209389140 /nfs/dbraw/zinc/38/91/40/209389140.db2.gz WNABXEBMODNAIL-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246145421 209380071 /nfs/dbraw/zinc/38/00/71/209380071.db2.gz OHGSAYIORONHFA-BRWVUGGUSA-N 2 1 354.495 0.459 20 0 FCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246145421 209380069 /nfs/dbraw/zinc/38/00/69/209380069.db2.gz OHGSAYIORONHFA-BRWVUGGUSA-N 2 1 354.495 0.459 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229159 /nfs/dbraw/zinc/22/91/59/216229159.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H]1CN(CCCNC(=O)NC[C@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229162 /nfs/dbraw/zinc/22/91/62/216229162.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 1 354.495 0.648 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368575580 216266801 /nfs/dbraw/zinc/26/68/01/216266801.db2.gz IWUYONXUNBYQQN-KURKYZTESA-N 2 1 350.507 0.260 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCN(C)CC1 ZINC000369048126 216339557 /nfs/dbraw/zinc/33/95/57/216339557.db2.gz SJSDQJMKIVYZHP-SQNIBIBYSA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048126 216339559 /nfs/dbraw/zinc/33/95/59/216339559.db2.gz SJSDQJMKIVYZHP-SQNIBIBYSA-N 2 1 367.538 0.421 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C)CC1 ZINC000369048126 216339560 /nfs/dbraw/zinc/33/95/60/216339560.db2.gz SJSDQJMKIVYZHP-SQNIBIBYSA-N 2 1 367.538 0.421 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000369071913 216343590 /nfs/dbraw/zinc/34/35/90/216343590.db2.gz ASWFEBVBEHMVRL-HNNXBMFYSA-N 2 1 351.495 0.513 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000369071913 216343597 /nfs/dbraw/zinc/34/35/97/216343597.db2.gz ASWFEBVBEHMVRL-HNNXBMFYSA-N 2 1 351.495 0.513 20 0 FCADMP Cn1cc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314372 209272017 /nfs/dbraw/zinc/27/20/17/209272017.db2.gz FCIGNZLXOQRDBO-FQEVSTJZSA-N 2 1 372.469 0.153 20 0 FCADMP Cn1cc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314372 209272021 /nfs/dbraw/zinc/27/20/21/209272021.db2.gz FCIGNZLXOQRDBO-FQEVSTJZSA-N 2 1 372.469 0.153 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000369396371 216395929 /nfs/dbraw/zinc/39/59/29/216395929.db2.gz XBYPAEXKVKXDTN-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369396371 216395930 /nfs/dbraw/zinc/39/59/30/216395930.db2.gz XBYPAEXKVKXDTN-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369396371 216395931 /nfs/dbraw/zinc/39/59/31/216395931.db2.gz XBYPAEXKVKXDTN-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000369479640 216413231 /nfs/dbraw/zinc/41/32/31/216413231.db2.gz BGHXRJILGQFEEW-RDJZCZTQSA-N 2 1 354.495 0.507 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000189936815 209263233 /nfs/dbraw/zinc/26/32/33/209263233.db2.gz UUNAGDBHWVXOQZ-INIZCTEOSA-N 2 1 354.539 0.752 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000188882498 209241741 /nfs/dbraw/zinc/24/17/41/209241741.db2.gz XJIHKDWCSROPCG-CVEARBPZSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000188882498 209241742 /nfs/dbraw/zinc/24/17/42/209241742.db2.gz XJIHKDWCSROPCG-CVEARBPZSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484264 674117205 /nfs/dbraw/zinc/11/72/05/674117205.db2.gz LVXKMJYESVQUAV-SNVBAGLBSA-N 2 1 354.373 0.152 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414743886 245316855 /nfs/dbraw/zinc/31/68/55/245316855.db2.gz VKSQYOJGYFBXIQ-SWLSCSKDSA-N 2 1 356.492 0.986 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760833 245322542 /nfs/dbraw/zinc/32/25/42/245322542.db2.gz RPAJBKLGKSYJMG-ZCNNSNEGSA-N 2 1 372.513 0.769 20 0 FCADMP C[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000415072527 245344608 /nfs/dbraw/zinc/34/46/08/245344608.db2.gz WLRCWHWDHRSVLE-HNNXBMFYSA-N 2 1 357.882 0.802 20 0 FCADMP C[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000415072527 245344611 /nfs/dbraw/zinc/34/46/11/245344611.db2.gz WLRCWHWDHRSVLE-HNNXBMFYSA-N 2 1 357.882 0.802 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414965578 245337071 /nfs/dbraw/zinc/33/70/71/245337071.db2.gz NLBLUUSFUKTHHW-UHFFFAOYSA-N 2 1 361.490 0.588 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000415253996 245369524 /nfs/dbraw/zinc/36/95/24/245369524.db2.gz JPSIUBBWCKSQIH-KRWDZBQOSA-N 2 1 362.474 0.698 20 0 FCADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415266937 245371335 /nfs/dbraw/zinc/37/13/35/245371335.db2.gz SMZXHJDJTLAFLR-GOEBONIOSA-N 2 1 359.474 0.779 20 0 FCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415266937 245371342 /nfs/dbraw/zinc/37/13/42/245371342.db2.gz SMZXHJDJTLAFLR-GOEBONIOSA-N 2 1 359.474 0.779 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442687 217019998 /nfs/dbraw/zinc/01/99/98/217019998.db2.gz VZLWIJIIRXTAKF-GMBSWORKSA-N 2 1 352.523 0.804 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442687 217020000 /nfs/dbraw/zinc/02/00/00/217020000.db2.gz VZLWIJIIRXTAKF-GMBSWORKSA-N 2 1 352.523 0.804 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931567873 674120317 /nfs/dbraw/zinc/12/03/17/674120317.db2.gz ZGLCASSHLCUCRD-GJZGRUSLSA-N 2 1 350.467 0.508 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000183538735 209148092 /nfs/dbraw/zinc/14/80/92/209148092.db2.gz GAFPJFJLQVTOLF-MOPGFXCFSA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000183538735 209148096 /nfs/dbraw/zinc/14/80/96/209148096.db2.gz GAFPJFJLQVTOLF-MOPGFXCFSA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000183538735 209148100 /nfs/dbraw/zinc/14/81/00/209148100.db2.gz GAFPJFJLQVTOLF-MOPGFXCFSA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000183538735 209148102 /nfs/dbraw/zinc/14/81/02/209148102.db2.gz GAFPJFJLQVTOLF-MOPGFXCFSA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000183538754 209147520 /nfs/dbraw/zinc/14/75/20/209147520.db2.gz GAFPJFJLQVTOLF-RTBURBONSA-N 2 1 361.486 0.980 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000183538754 209147524 /nfs/dbraw/zinc/14/75/24/209147524.db2.gz GAFPJFJLQVTOLF-RTBURBONSA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000183538754 209147527 /nfs/dbraw/zinc/14/75/27/209147527.db2.gz GAFPJFJLQVTOLF-RTBURBONSA-N 2 1 361.486 0.980 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000183538754 209147528 /nfs/dbraw/zinc/14/75/28/209147528.db2.gz GAFPJFJLQVTOLF-RTBURBONSA-N 2 1 361.486 0.980 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907344 217333982 /nfs/dbraw/zinc/33/39/82/217333982.db2.gz RQCLQKZCJORTFP-CVEARBPZSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907344 217333984 /nfs/dbraw/zinc/33/39/84/217333984.db2.gz RQCLQKZCJORTFP-CVEARBPZSA-N 2 1 353.511 0.709 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887047 217329844 /nfs/dbraw/zinc/32/98/44/217329844.db2.gz BMPZXKGKTVDDHX-IRXDYDNUSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887047 217329846 /nfs/dbraw/zinc/32/98/46/217329846.db2.gz BMPZXKGKTVDDHX-IRXDYDNUSA-N 2 1 367.538 0.957 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376196670 217368578 /nfs/dbraw/zinc/36/85/78/217368578.db2.gz OUILKSDVFWYSCI-SJORKVTESA-N 2 1 356.511 0.849 20 0 FCADMP C[N@@H+](CCCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000418270051 245771674 /nfs/dbraw/zinc/77/16/74/245771674.db2.gz RKBUJLYLIZZIMB-AWEZNQCLSA-N 2 1 365.444 0.996 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419033148 245947437 /nfs/dbraw/zinc/94/74/37/245947437.db2.gz XVKFWNPKRQMXCQ-XHSDSOJGSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419131826 246006080 /nfs/dbraw/zinc/00/60/80/246006080.db2.gz GYRRTRSCSGXGAO-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419154540 246019525 /nfs/dbraw/zinc/01/95/25/246019525.db2.gz RPTNMOQORWFSHB-CQSZACIVSA-N 2 1 352.504 0.754 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419153378 246019900 /nfs/dbraw/zinc/01/99/00/246019900.db2.gz PQXKIFJUUWCQBL-HUUCEWRRSA-N 2 1 364.515 0.945 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158033 246024620 /nfs/dbraw/zinc/02/46/20/246024620.db2.gz XEKWCAYUWWMDMY-ZIAGYGMSSA-N 2 1 352.504 0.882 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)[nH+]1 ZINC000419134511 246008410 /nfs/dbraw/zinc/00/84/10/246008410.db2.gz KDWNEVFNNXERIF-HUUCEWRRSA-N 2 1 359.474 0.684 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419146838 246014623 /nfs/dbraw/zinc/01/46/23/246014623.db2.gz IQWJVHYNMRMQSS-ZIAGYGMSSA-N 2 1 350.488 0.554 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419165409 246027820 /nfs/dbraw/zinc/02/78/20/246027820.db2.gz GIMRWVKKOBFTTQ-QRVBRYPASA-N 2 1 370.497 0.345 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000419166063 246028659 /nfs/dbraw/zinc/02/86/59/246028659.db2.gz OAOCGENAOAVILB-QGZVFWFLSA-N 2 1 374.485 0.391 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419165481 246028887 /nfs/dbraw/zinc/02/88/87/246028887.db2.gz GLIYTFVIMNWTKV-JKSUJKDBSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166926 246031136 /nfs/dbraw/zinc/03/11/36/246031136.db2.gz ICLRPPBDAHTIFL-NZSAHSFTSA-N 2 1 372.513 0.863 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419181287 246039925 /nfs/dbraw/zinc/03/99/25/246039925.db2.gz AKWMSOKULCETJM-TXEJJXNPSA-N 2 1 350.385 0.055 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419181287 246039928 /nfs/dbraw/zinc/03/99/28/246039928.db2.gz AKWMSOKULCETJM-TXEJJXNPSA-N 2 1 350.385 0.055 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000419183422 246040307 /nfs/dbraw/zinc/04/03/07/246040307.db2.gz MHPMIWMQGXAIKW-HOTGVXAUSA-N 2 1 352.479 0.086 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419208463 246055834 /nfs/dbraw/zinc/05/58/34/246055834.db2.gz AIPSGYBPUFKDKR-MELADBBJSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419208463 246055838 /nfs/dbraw/zinc/05/58/38/246055838.db2.gz AIPSGYBPUFKDKR-MELADBBJSA-N 2 1 364.515 0.807 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)CCC(F)(F)F ZINC000419212819 246056318 /nfs/dbraw/zinc/05/63/18/246056318.db2.gz VHKGIEGMNYRPBX-RYUDHWBXSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)CCC(F)(F)F ZINC000419212819 246056323 /nfs/dbraw/zinc/05/63/23/246056323.db2.gz VHKGIEGMNYRPBX-RYUDHWBXSA-N 2 1 352.401 0.573 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419212614 246057542 /nfs/dbraw/zinc/05/75/42/246057542.db2.gz UWIVRXWFCQJPNQ-PXNSSMCTSA-N 2 1 358.486 0.965 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419213865 246059321 /nfs/dbraw/zinc/05/93/21/246059321.db2.gz WWEWVERWRDYZPY-GFCCVEGCSA-N 2 1 352.401 0.493 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419213865 246059327 /nfs/dbraw/zinc/05/93/27/246059327.db2.gz WWEWVERWRDYZPY-GFCCVEGCSA-N 2 1 352.401 0.493 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000419225782 246063555 /nfs/dbraw/zinc/06/35/55/246063555.db2.gz CRCHNVRZGDMHBP-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419225782 246063561 /nfs/dbraw/zinc/06/35/61/246063561.db2.gz CRCHNVRZGDMHBP-CRAIPNDOSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419227308 246065319 /nfs/dbraw/zinc/06/53/19/246065319.db2.gz FMBOYMCQXSGWEK-OAHLLOKOSA-N 2 1 356.470 0.585 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419227308 246065323 /nfs/dbraw/zinc/06/53/23/246065323.db2.gz FMBOYMCQXSGWEK-OAHLLOKOSA-N 2 1 356.470 0.585 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419226715 246065389 /nfs/dbraw/zinc/06/53/89/246065389.db2.gz DQCJXJYNFBBFDI-HRAATJIYSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000419226715 246065393 /nfs/dbraw/zinc/06/53/93/246065393.db2.gz DQCJXJYNFBBFDI-HRAATJIYSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419199677 246048735 /nfs/dbraw/zinc/04/87/35/246048735.db2.gz DMRRCSLPODIYGK-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)CCC(F)(F)F ZINC000419207056 246054110 /nfs/dbraw/zinc/05/41/10/246054110.db2.gz LWPBAJVOJOBNLB-RYUDHWBXSA-N 2 1 352.401 0.573 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)CCC(F)(F)F ZINC000419207056 246054116 /nfs/dbraw/zinc/05/41/16/246054116.db2.gz LWPBAJVOJOBNLB-RYUDHWBXSA-N 2 1 352.401 0.573 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419270275 246083395 /nfs/dbraw/zinc/08/33/95/246083395.db2.gz QQRXLTOTIYIBHB-KRWDZBQOSA-N 2 1 360.458 0.003 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419284544 246086800 /nfs/dbraw/zinc/08/68/00/246086800.db2.gz LGOLCBGERNQMGG-DLBZAZTESA-N 2 1 364.465 0.927 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419227753 246068656 /nfs/dbraw/zinc/06/86/56/246068656.db2.gz GCNQTTFIRMKLJS-VNHYZAJKSA-N 2 1 364.515 0.855 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419227753 246068664 /nfs/dbraw/zinc/06/86/64/246068664.db2.gz GCNQTTFIRMKLJS-VNHYZAJKSA-N 2 1 364.515 0.855 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419228607 246069043 /nfs/dbraw/zinc/06/90/43/246069043.db2.gz MLVAIFVONPNJSL-XYJFISCASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000419233941 246072596 /nfs/dbraw/zinc/07/25/96/246072596.db2.gz LMJOAZQHZKOLPI-MNEFBYGVSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000419233941 246072599 /nfs/dbraw/zinc/07/25/99/246072599.db2.gz LMJOAZQHZKOLPI-MNEFBYGVSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419243504 246073340 /nfs/dbraw/zinc/07/33/40/246073340.db2.gz UHXFLGFCGTVQBT-JKSUJKDBSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419243504 246073343 /nfs/dbraw/zinc/07/33/43/246073343.db2.gz UHXFLGFCGTVQBT-JKSUJKDBSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419238458 246074922 /nfs/dbraw/zinc/07/49/22/246074922.db2.gz POUJCKQXTHOPKW-UONOGXRCSA-N 2 1 364.515 0.727 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419238458 246074927 /nfs/dbraw/zinc/07/49/27/246074927.db2.gz POUJCKQXTHOPKW-UONOGXRCSA-N 2 1 364.515 0.727 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419245284 246075983 /nfs/dbraw/zinc/07/59/83/246075983.db2.gz LLUINUWUKRAHES-VQFNDLOPSA-N 2 1 360.502 0.985 20 0 FCADMP [NH3+]CC1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000419267471 246080369 /nfs/dbraw/zinc/08/03/69/246080369.db2.gz JJWKGZJCQFXQTI-UHFFFAOYSA-N 2 1 374.485 0.332 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000419331143 246100899 /nfs/dbraw/zinc/10/08/99/246100899.db2.gz CMBXKUMKBMTADY-DOTOQJQBSA-N 2 1 374.485 0.898 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419412024 246147841 /nfs/dbraw/zinc/14/78/41/246147841.db2.gz CGNGUAIHAVFGFW-WBVHZDCISA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419391736 246130886 /nfs/dbraw/zinc/13/08/86/246130886.db2.gz KFYLSPNXNMYRBB-MAUKXSAKSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399360 246134512 /nfs/dbraw/zinc/13/45/12/246134512.db2.gz JHLQWRMAFPYNJO-JCGIZDLHSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419417011 246150509 /nfs/dbraw/zinc/15/05/09/246150509.db2.gz HPDNJROOKNSWIJ-FCEWJHQRSA-N 2 1 352.523 0.977 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419407135 246139984 /nfs/dbraw/zinc/13/99/84/246139984.db2.gz KCQJMHFYZZWEGU-MAUKXSAKSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409187 246141794 /nfs/dbraw/zinc/14/17/94/246141794.db2.gz DTRLBMYAWNUULY-HYVNUMGLSA-N 2 1 362.474 0.246 20 0 FCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409187 246141799 /nfs/dbraw/zinc/14/17/99/246141799.db2.gz DTRLBMYAWNUULY-HYVNUMGLSA-N 2 1 362.474 0.246 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000419411065 246144695 /nfs/dbraw/zinc/14/46/95/246144695.db2.gz PVLLPVJQYUPZDJ-HIFRSBDPSA-N 2 1 352.504 0.925 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419422139 246154438 /nfs/dbraw/zinc/15/44/38/246154438.db2.gz LXNUSICVOCOOMN-AWEZNQCLSA-N 2 1 354.401 0.650 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419454441 246171582 /nfs/dbraw/zinc/17/15/82/246171582.db2.gz UDTLIHZGSLFPTL-YJBOKZPZSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419449476 246169640 /nfs/dbraw/zinc/16/96/40/246169640.db2.gz JYTPKVWTQTXPKA-HNNXBMFYSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419454968 246170188 /nfs/dbraw/zinc/17/01/88/246170188.db2.gz VOQJFHCHTWIYKB-CVEARBPZSA-N 2 1 361.490 0.024 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000419454658 246170781 /nfs/dbraw/zinc/17/07/81/246170781.db2.gz UMYAEUKQUZSRDL-UHFFFAOYSA-N 2 1 358.442 0.945 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000419454658 246170786 /nfs/dbraw/zinc/17/07/86/246170786.db2.gz UMYAEUKQUZSRDL-UHFFFAOYSA-N 2 1 358.442 0.945 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419502818 246183175 /nfs/dbraw/zinc/18/31/75/246183175.db2.gz BXNCAAWNNJAEJC-OKZBNKHCSA-N 2 1 356.470 0.303 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419507633 246184906 /nfs/dbraw/zinc/18/49/06/246184906.db2.gz PLPNVUSCGLQONH-JKSUJKDBSA-N 2 1 361.490 0.024 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419509766 246184915 /nfs/dbraw/zinc/18/49/15/246184915.db2.gz UOGLBUFHWGPTNC-KRWDZBQOSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507111 246185384 /nfs/dbraw/zinc/18/53/84/246185384.db2.gz OVSMZYJCJKHQAF-QGZVFWFLSA-N 2 1 373.501 0.135 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419528548 246192423 /nfs/dbraw/zinc/19/24/23/246192423.db2.gz WJNGNIVPFJJXMB-BHYGNILZSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525136 246192649 /nfs/dbraw/zinc/19/26/49/246192649.db2.gz CXAWWCJVXFHVJJ-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419452091 246171994 /nfs/dbraw/zinc/17/19/94/246171994.db2.gz OMQRTGFJFKOSNO-IRXDYDNUSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475420 246176703 /nfs/dbraw/zinc/17/67/03/246176703.db2.gz DQQCXVQDZWPOED-PMPSAXMXSA-N 2 1 368.522 0.844 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419486739 246178224 /nfs/dbraw/zinc/17/82/24/246178224.db2.gz ABMTWONGGWCIKF-HOTGVXAUSA-N 2 1 361.490 0.167 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419530615 246193149 /nfs/dbraw/zinc/19/31/49/246193149.db2.gz JNLMANSLXHKWPA-CRAIPNDOSA-N 2 1 356.470 0.659 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419534173 246194610 /nfs/dbraw/zinc/19/46/10/246194610.db2.gz PYAQFHZNDYJCCX-MMOPVJDHSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419536576 246194701 /nfs/dbraw/zinc/19/47/01/246194701.db2.gz USSMLGMSAMIVQZ-BGTYHANMSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419533700 246195574 /nfs/dbraw/zinc/19/55/74/246195574.db2.gz PAXNCTVFWOJWBV-BGTYHANMSA-N 2 1 356.470 0.443 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533363 246195908 /nfs/dbraw/zinc/19/59/08/246195908.db2.gz OUDJNMKKGPDAPY-CGTJXYLNSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419537954 246195971 /nfs/dbraw/zinc/19/59/71/246195971.db2.gz WJCLRLMEVVDSBV-OQIJWPOYSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000419556944 246201986 /nfs/dbraw/zinc/20/19/86/246201986.db2.gz LMHXKRPFXGGEQZ-NRSFXHEJSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000419621847 246220179 /nfs/dbraw/zinc/22/01/79/246220179.db2.gz FSXDPUWLLXWLHI-JEBQAFNWSA-N 2 1 374.460 0.845 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419665140 246237448 /nfs/dbraw/zinc/23/74/48/246237448.db2.gz SVYCWZLLDVUMMC-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000419701889 246257897 /nfs/dbraw/zinc/25/78/97/246257897.db2.gz BJHHSGLBPDECLS-YFHUEUNASA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000419702967 246258343 /nfs/dbraw/zinc/25/83/43/246258343.db2.gz CVAGTEUAGLQVTG-BGTYHANMSA-N 2 1 356.470 0.443 20 0 FCADMP CCC(CC)[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000377535177 217556586 /nfs/dbraw/zinc/55/65/86/217556586.db2.gz CMRYNMBMLFAZPI-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419712835 246265444 /nfs/dbraw/zinc/26/54/44/246265444.db2.gz UMOOEPGUMSFAHM-CRAIPNDOSA-N 2 1 356.470 0.802 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754156 246283467 /nfs/dbraw/zinc/28/34/67/246283467.db2.gz BQGOPUPJBBOBMK-CJNGLKHVSA-N 2 1 350.438 0.630 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000419754155 246284847 /nfs/dbraw/zinc/28/48/47/246284847.db2.gz BQGOPUPJBBOBMK-BBRMVZONSA-N 2 1 350.438 0.630 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419765157 246288647 /nfs/dbraw/zinc/28/86/47/246288647.db2.gz QBJDJKZDDRWECK-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419769851 246292150 /nfs/dbraw/zinc/29/21/50/246292150.db2.gz WGOPUQOLCBRWGH-QZTJIDSGSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])C[C@@H](C)O1 ZINC000419835561 246313001 /nfs/dbraw/zinc/31/30/01/246313001.db2.gz YLHNIPLCNNGQDA-HUUCEWRRSA-N 2 1 362.474 0.377 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419841686 246317003 /nfs/dbraw/zinc/31/70/03/246317003.db2.gz KOLPHGASOIAYRE-AEFFLSMTSA-N 2 1 358.486 0.978 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419846626 246317806 /nfs/dbraw/zinc/31/78/06/246317806.db2.gz RXUDWBLNBLUCQH-KRWDZBQOSA-N 2 1 374.485 0.598 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419846626 246317810 /nfs/dbraw/zinc/31/78/10/246317810.db2.gz RXUDWBLNBLUCQH-KRWDZBQOSA-N 2 1 374.485 0.598 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419852987 246324525 /nfs/dbraw/zinc/32/45/25/246324525.db2.gz AJIDHLOXVHGNCD-HLLBOEOZSA-N 2 1 350.507 0.953 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419918591 246367525 /nfs/dbraw/zinc/36/75/25/246367525.db2.gz UOUUJJOGVVEAGB-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000419918591 246367528 /nfs/dbraw/zinc/36/75/28/246367528.db2.gz UOUUJJOGVVEAGB-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419924893 246370815 /nfs/dbraw/zinc/37/08/15/246370815.db2.gz NQLFTAKVFBOSCA-RBUKOAKNSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419889176 246351430 /nfs/dbraw/zinc/35/14/30/246351430.db2.gz GSZRCENDAOPTBM-FUHWJXTLSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419889293 246352409 /nfs/dbraw/zinc/35/24/09/246352409.db2.gz SAJFCZSHKBYDLG-GHTZIAJQSA-N 2 1 370.497 0.979 20 0 FCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419891946 246354751 /nfs/dbraw/zinc/35/47/51/246354751.db2.gz UMWRDULORCUKPT-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419899886 246360538 /nfs/dbraw/zinc/36/05/38/246360538.db2.gz ZSFRYJOJSKSCEM-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419909575 246363284 /nfs/dbraw/zinc/36/32/84/246363284.db2.gz GHGQKIHNCFYHHF-SFHVURJKSA-N 2 1 358.486 0.489 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419949819 246383725 /nfs/dbraw/zinc/38/37/25/246383725.db2.gz HTBRJWBABVQNLY-TWMKSMIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419949819 246383728 /nfs/dbraw/zinc/38/37/28/246383728.db2.gz HTBRJWBABVQNLY-TWMKSMIVSA-N 2 1 368.522 0.576 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419965845 246392458 /nfs/dbraw/zinc/39/24/58/246392458.db2.gz KKJHVFIHGNKIPO-KRWDZBQOSA-N 2 1 367.538 0.106 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000423390939 247017779 /nfs/dbraw/zinc/01/77/79/247017779.db2.gz OVWWFEVBGMNRMN-WBVHZDCISA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423390772 247017920 /nfs/dbraw/zinc/01/79/20/247017920.db2.gz KLEXYYMFLBPKIW-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423588672 247065358 /nfs/dbraw/zinc/06/53/58/247065358.db2.gz BBMJRKSBBVNGEV-WMZOPIPTSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423598159 247068699 /nfs/dbraw/zinc/06/86/99/247068699.db2.gz VYZGXXLXSFEPML-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000423598159 247068705 /nfs/dbraw/zinc/06/87/05/247068705.db2.gz VYZGXXLXSFEPML-QZTJIDSGSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000423437640 247027334 /nfs/dbraw/zinc/02/73/34/247027334.db2.gz GJVOKERQBBYOAJ-DJIMGWMZSA-N 2 1 350.507 0.620 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423461817 247032203 /nfs/dbraw/zinc/03/22/03/247032203.db2.gz OJTAUOUOMPZWEG-WMZOPIPTSA-N 2 1 374.485 0.296 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423470243 247034057 /nfs/dbraw/zinc/03/40/57/247034057.db2.gz GRPQXAIVTOIOGE-FGTMMUONSA-N 2 1 356.470 0.527 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000423681456 247107613 /nfs/dbraw/zinc/10/76/13/247107613.db2.gz NHRNUQFBURAMQU-HOCLYGCPSA-N 2 1 361.490 0.930 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423642879 247087295 /nfs/dbraw/zinc/08/72/95/247087295.db2.gz LSFIGPBULVUKFZ-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423645534 247090129 /nfs/dbraw/zinc/09/01/29/247090129.db2.gz KUUDUMIVVHFIRE-QYZOEREBSA-N 2 1 370.497 0.917 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423810733 247144718 /nfs/dbraw/zinc/14/47/18/247144718.db2.gz BEMBSDMUNLLXAQ-WMLDXEAASA-N 2 1 354.401 0.680 20 0 FCADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423810733 247144722 /nfs/dbraw/zinc/14/47/22/247144722.db2.gz BEMBSDMUNLLXAQ-WMLDXEAASA-N 2 1 354.401 0.680 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000423703271 247115598 /nfs/dbraw/zinc/11/55/98/247115598.db2.gz BRVUCRQRSLYWON-BHIYHBOVSA-N 2 1 372.513 0.815 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000423703271 247115602 /nfs/dbraw/zinc/11/56/02/247115602.db2.gz BRVUCRQRSLYWON-BHIYHBOVSA-N 2 1 372.513 0.815 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423703608 247115728 /nfs/dbraw/zinc/11/57/28/247115728.db2.gz CEUUPKHWTMRTLE-MSOLQXFVSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423703856 247118601 /nfs/dbraw/zinc/11/86/01/247118601.db2.gz LBJLCUYQAZNCNX-OALUTQOASA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000423703856 247118606 /nfs/dbraw/zinc/11/86/06/247118606.db2.gz LBJLCUYQAZNCNX-OALUTQOASA-N 2 1 372.513 0.830 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)CCO1 ZINC000423716982 247123323 /nfs/dbraw/zinc/12/33/23/247123323.db2.gz ASUROBTVFCWUSA-BFYDXBDKSA-N 2 1 366.506 0.284 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423723030 247125605 /nfs/dbraw/zinc/12/56/05/247125605.db2.gz KYDVKBOVNKGIKR-JLJPHGGASA-N 2 1 362.449 0.631 20 0 FCADMP COCC[C@]1(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC[NH2+]C1 ZINC000423740242 247134798 /nfs/dbraw/zinc/13/47/98/247134798.db2.gz IRXYXUVBISNCHB-IEBWSBKVSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@H]1C[NH3+] ZINC000423748768 247136949 /nfs/dbraw/zinc/13/69/49/247136949.db2.gz ZRMCWTCZUFXTAX-RDJZCZTQSA-N 2 1 367.538 0.057 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@H]1C[NH3+] ZINC000423748768 247136954 /nfs/dbraw/zinc/13/69/54/247136954.db2.gz ZRMCWTCZUFXTAX-RDJZCZTQSA-N 2 1 367.538 0.057 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282773 247195030 /nfs/dbraw/zinc/19/50/30/247195030.db2.gz AKEPIQNWZWISGH-ZDUSSCGKSA-N 2 1 363.462 0.999 20 0 FCADMP CCC(CC)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000424223962 247180766 /nfs/dbraw/zinc/18/07/66/247180766.db2.gz IZSSTQWKISBBKR-RCCFBDPRSA-N 2 1 363.506 0.810 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1C ZINC000424490990 247238608 /nfs/dbraw/zinc/23/86/08/247238608.db2.gz BKCNHKHZAVFUAI-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1C ZINC000424490990 247238610 /nfs/dbraw/zinc/23/86/10/247238610.db2.gz BKCNHKHZAVFUAI-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000424495085 247239884 /nfs/dbraw/zinc/23/98/84/247239884.db2.gz PDDJZUSRLZDQIS-GJZGRUSLSA-N 2 1 354.495 0.284 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424530059 247253459 /nfs/dbraw/zinc/25/34/59/247253459.db2.gz VJTLNSHBKLNZLV-PKOBYXMFSA-N 2 1 370.497 0.978 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000424456566 247225209 /nfs/dbraw/zinc/22/52/09/247225209.db2.gz PQVUZMUANSPHTH-KRWDZBQOSA-N 2 1 362.474 0.745 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000424462232 247227375 /nfs/dbraw/zinc/22/73/75/247227375.db2.gz DXAJWXGMXPIZCG-AWEZNQCLSA-N 2 1 362.474 0.696 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000424462232 247227377 /nfs/dbraw/zinc/22/73/77/247227377.db2.gz DXAJWXGMXPIZCG-AWEZNQCLSA-N 2 1 362.474 0.696 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536865 247254446 /nfs/dbraw/zinc/25/44/46/247254446.db2.gz BRMXRDVJXFICFJ-INDMIFKZSA-N 2 1 370.497 0.963 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000424535315 247254509 /nfs/dbraw/zinc/25/45/09/247254509.db2.gz ACPVGSSBHIFFGA-LSDHHAIUSA-N 2 1 354.495 0.060 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000424543870 247257998 /nfs/dbraw/zinc/25/79/98/247257998.db2.gz KDUDMKSGXLBHAX-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425379107 247327498 /nfs/dbraw/zinc/32/74/98/247327498.db2.gz CRVKKEQZAUKFPA-DLBZAZTESA-N 2 1 373.501 0.754 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425379107 247327501 /nfs/dbraw/zinc/32/75/01/247327501.db2.gz CRVKKEQZAUKFPA-DLBZAZTESA-N 2 1 373.501 0.754 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000425379394 247328769 /nfs/dbraw/zinc/32/87/69/247328769.db2.gz AUIFNIJEEVMJKL-UHFFFAOYSA-N 2 1 356.511 0.354 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000425391124 247331775 /nfs/dbraw/zinc/33/17/75/247331775.db2.gz RHTICTDMJZOPTJ-HOTGVXAUSA-N 2 1 368.522 0.354 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000425391124 247331776 /nfs/dbraw/zinc/33/17/76/247331776.db2.gz RHTICTDMJZOPTJ-HOTGVXAUSA-N 2 1 368.522 0.354 20 0 FCADMP CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625469 248004108 /nfs/dbraw/zinc/00/41/08/248004108.db2.gz LQGHAMBCCWWKBE-MSOLQXFVSA-N 2 1 354.539 0.923 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000436057831 248031327 /nfs/dbraw/zinc/03/13/27/248031327.db2.gz HGLUBZQTSBWWHG-INIZCTEOSA-N 2 1 362.474 0.501 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000436057831 248031329 /nfs/dbraw/zinc/03/13/29/248031329.db2.gz HGLUBZQTSBWWHG-INIZCTEOSA-N 2 1 362.474 0.501 20 0 FCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000440171711 248160314 /nfs/dbraw/zinc/16/03/14/248160314.db2.gz FSDMAJJZQBJVEL-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000440171711 248160316 /nfs/dbraw/zinc/16/03/16/248160316.db2.gz FSDMAJJZQBJVEL-KRWDZBQOSA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000440982893 248230217 /nfs/dbraw/zinc/23/02/17/248230217.db2.gz QEZPAKUQQLJUKH-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000440982893 248230223 /nfs/dbraw/zinc/23/02/23/248230223.db2.gz QEZPAKUQQLJUKH-MRXNPFEDSA-N 2 1 355.527 0.280 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1([S@@](C)=O)CC1 ZINC000442714275 248293837 /nfs/dbraw/zinc/29/38/37/248293837.db2.gz JOGZYJDIBUAZLT-OYLFLEFRSA-N 2 1 358.552 0.955 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442760909 248296161 /nfs/dbraw/zinc/29/61/61/248296161.db2.gz OHKIVHOFZXBTDL-NFAWXSAZSA-N 2 1 368.503 0.050 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771852 248296919 /nfs/dbraw/zinc/29/69/19/248296919.db2.gz UNNRKVGBGSDXJG-WMZOPIPTSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771852 248296923 /nfs/dbraw/zinc/29/69/23/248296923.db2.gz UNNRKVGBGSDXJG-WMZOPIPTSA-N 2 1 372.513 0.935 20 0 FCADMP COc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000443512296 248330381 /nfs/dbraw/zinc/33/03/81/248330381.db2.gz SXQUHWSUIYWALA-NMWPEEMBSA-N 2 1 363.510 0.938 20 0 FCADMP COc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000443512296 248330382 /nfs/dbraw/zinc/33/03/82/248330382.db2.gz SXQUHWSUIYWALA-NMWPEEMBSA-N 2 1 363.510 0.938 20 0 FCADMP COc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000443512296 248330383 /nfs/dbraw/zinc/33/03/83/248330383.db2.gz SXQUHWSUIYWALA-NMWPEEMBSA-N 2 1 363.510 0.938 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443630470 248333800 /nfs/dbraw/zinc/33/38/00/248333800.db2.gz JXCCLMQOVTVXTC-NVXWUHKLSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)C1 ZINC000444261555 248353275 /nfs/dbraw/zinc/35/32/75/248353275.db2.gz FYCQJKQFPTXAJJ-LMMKCTJWSA-N 2 1 350.507 0.239 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000446140341 248383345 /nfs/dbraw/zinc/38/33/45/248383345.db2.gz UZRVATHCJOPBDB-HNNXBMFYSA-N 2 1 353.511 0.700 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790536 248398248 /nfs/dbraw/zinc/39/82/48/248398248.db2.gz PPGKLXGWLABERL-OAHLLOKOSA-N 2 1 351.499 0.415 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349794 249310049 /nfs/dbraw/zinc/31/00/49/249310049.db2.gz CAOOFBKKKTUDIZ-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452349794 249310051 /nfs/dbraw/zinc/31/00/51/249310051.db2.gz CAOOFBKKKTUDIZ-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452349794 249310053 /nfs/dbraw/zinc/31/00/53/249310053.db2.gz CAOOFBKKKTUDIZ-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452349794 249310054 /nfs/dbraw/zinc/31/00/54/249310054.db2.gz CAOOFBKKKTUDIZ-RTBURBONSA-N 2 1 361.486 0.850 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccn1 ZINC000452380720 249314797 /nfs/dbraw/zinc/31/47/97/249314797.db2.gz UGVUYGRIBHQKTE-INIZCTEOSA-N 2 1 350.463 0.599 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000452566570 249322278 /nfs/dbraw/zinc/32/22/78/249322278.db2.gz XWFUVODJJRCBTI-WCVJEAGWSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(C)(C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000452566570 249322283 /nfs/dbraw/zinc/32/22/83/249322283.db2.gz XWFUVODJJRCBTI-WCVJEAGWSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000452566570 249322285 /nfs/dbraw/zinc/32/22/85/249322285.db2.gz XWFUVODJJRCBTI-WCVJEAGWSA-N 2 1 352.523 0.783 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270620939 211236256 /nfs/dbraw/zinc/23/62/56/211236256.db2.gz CESVTJVZNWECAQ-UHFFFAOYSA-N 2 1 353.467 0.399 20 0 FCADMP NC(=O)c1csc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469862874 250009717 /nfs/dbraw/zinc/00/97/17/250009717.db2.gz BAUVFBUFYSVSRT-IUODEOHRSA-N 2 1 350.488 0.927 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCOCC[NH+](C)C)C[C@@H](C)O1 ZINC000471644241 250112271 /nfs/dbraw/zinc/11/22/71/250112271.db2.gz UMXBSDIFOWSVMY-ZACQAIPSSA-N 2 1 356.511 0.848 20 0 FCADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472275861 250143864 /nfs/dbraw/zinc/14/38/64/250143864.db2.gz KDAPLHUOLAJDAJ-MSOLQXFVSA-N 2 1 354.539 0.972 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000472279827 250142848 /nfs/dbraw/zinc/14/28/48/250142848.db2.gz VPFCYECPCBLODO-MSOLQXFVSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000473186736 250205645 /nfs/dbraw/zinc/20/56/45/250205645.db2.gz JTKOGHIHFPCJNR-UHFFFAOYSA-N 2 1 355.527 0.914 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000474034743 250266068 /nfs/dbraw/zinc/26/60/68/250266068.db2.gz PUPHIPZTVHBYPH-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000474034743 250266072 /nfs/dbraw/zinc/26/60/72/250266072.db2.gz PUPHIPZTVHBYPH-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000474034743 250266076 /nfs/dbraw/zinc/26/60/76/250266076.db2.gz PUPHIPZTVHBYPH-MRXNPFEDSA-N 2 1 355.527 0.422 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000473872048 250254183 /nfs/dbraw/zinc/25/41/83/250254183.db2.gz CHQUNLYHPYTTGP-QGZVFWFLSA-N 2 1 370.538 0.878 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000480868015 250289120 /nfs/dbraw/zinc/28/91/20/250289120.db2.gz DFKLHYVBVUKPBZ-UKRRQHHQSA-N 2 1 357.524 0.823 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000480868015 250289121 /nfs/dbraw/zinc/28/91/21/250289121.db2.gz DFKLHYVBVUKPBZ-UKRRQHHQSA-N 2 1 357.524 0.823 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000481203657 250321950 /nfs/dbraw/zinc/32/19/50/250321950.db2.gz SSRQRFYWCCPTRX-OAGGEKHMSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000481203657 250321954 /nfs/dbraw/zinc/32/19/54/250321954.db2.gz SSRQRFYWCCPTRX-OAGGEKHMSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000481203657 250321958 /nfs/dbraw/zinc/32/19/58/250321958.db2.gz SSRQRFYWCCPTRX-OAGGEKHMSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000481769143 250356501 /nfs/dbraw/zinc/35/65/01/250356501.db2.gz JXEAWZZQOFUZIJ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000481769143 250356503 /nfs/dbraw/zinc/35/65/03/250356503.db2.gz JXEAWZZQOFUZIJ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)[nH+]1 ZINC000481792605 250361077 /nfs/dbraw/zinc/36/10/77/250361077.db2.gz IKPZTVZNGBCNAL-QGZVFWFLSA-N 2 1 371.485 0.782 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)[nH+]1 ZINC000481792605 250361080 /nfs/dbraw/zinc/36/10/80/250361080.db2.gz IKPZTVZNGBCNAL-QGZVFWFLSA-N 2 1 371.485 0.782 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+](C)C1 ZINC000413069165 532990732 /nfs/dbraw/zinc/99/07/32/532990732.db2.gz YNPWSPFYXFWOHW-MRXNPFEDSA-N 2 1 354.495 0.855 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+](C)C1 ZINC000413483318 532996147 /nfs/dbraw/zinc/99/61/47/532996147.db2.gz AAPNEKUQEGLKGE-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483318 532996151 /nfs/dbraw/zinc/99/61/51/532996151.db2.gz AAPNEKUQEGLKGE-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+](C)C1 ZINC000413483318 532996161 /nfs/dbraw/zinc/99/61/61/532996161.db2.gz AAPNEKUQEGLKGE-ZBFHGGJFSA-N 2 1 352.479 0.750 20 0 FCADMP C[NH+]1CCC(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000073225827 208048087 /nfs/dbraw/zinc/04/80/87/208048087.db2.gz DHIDCBMYVSFGOD-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000069438887 208033442 /nfs/dbraw/zinc/03/34/42/208033442.db2.gz OHFIIDHYKYGWHZ-UHFFFAOYSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069441036 208033842 /nfs/dbraw/zinc/03/38/42/208033842.db2.gz TYXHCAWWOQCEDO-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069441036 208033846 /nfs/dbraw/zinc/03/38/46/208033846.db2.gz TYXHCAWWOQCEDO-MRXNPFEDSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000092587469 208145928 /nfs/dbraw/zinc/14/59/28/208145928.db2.gz KMAOINRRTJYRBM-GASCZTMLSA-N 2 1 364.490 0.405 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000105323356 208197548 /nfs/dbraw/zinc/19/75/48/208197548.db2.gz OLRQIVDOHXXCJD-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867647 208287581 /nfs/dbraw/zinc/28/75/81/208287581.db2.gz JEUHVLZQWGWKNV-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1OCC[C@H]1NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000121228124 208398762 /nfs/dbraw/zinc/39/87/62/208398762.db2.gz UXEKCGMGFCWOJR-GOEBONIOSA-N 2 1 353.488 0.890 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000153575512 208752922 /nfs/dbraw/zinc/75/29/22/208752922.db2.gz IYIPFUFIGAJQGK-KRWDZBQOSA-N 2 1 368.522 0.851 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000177930061 209039234 /nfs/dbraw/zinc/03/92/34/209039234.db2.gz XIXMZEIICBYLLE-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000177930061 209039240 /nfs/dbraw/zinc/03/92/40/209039240.db2.gz XIXMZEIICBYLLE-HZPDHXFCSA-N 2 1 351.495 0.276 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413075487 533477287 /nfs/dbraw/zinc/47/72/87/533477287.db2.gz PPHRZYFXJMTQGC-XHSDSOJGSA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413075487 533477291 /nfs/dbraw/zinc/47/72/91/533477291.db2.gz PPHRZYFXJMTQGC-XHSDSOJGSA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413075487 533477294 /nfs/dbraw/zinc/47/72/94/533477294.db2.gz PPHRZYFXJMTQGC-XHSDSOJGSA-N 2 1 370.494 0.232 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000413116851 533481546 /nfs/dbraw/zinc/48/15/46/533481546.db2.gz HZJDOAWDCPSYFO-KRWDZBQOSA-N 2 1 362.474 0.994 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC[N@@H+](C)C1 ZINC000413456979 533482441 /nfs/dbraw/zinc/48/24/41/533482441.db2.gz KTDCJEXGYVCONY-HOTGVXAUSA-N 2 1 354.495 0.997 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCCN1CC[NH2+]CC1 ZINC000238100826 229276568 /nfs/dbraw/zinc/27/65/68/229276568.db2.gz IOJGJOJQAQEBHH-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCCN1CC[NH2+]CC1 ZINC000238100826 229276570 /nfs/dbraw/zinc/27/65/70/229276570.db2.gz IOJGJOJQAQEBHH-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410470358 230091023 /nfs/dbraw/zinc/09/10/23/230091023.db2.gz DJRNPUKYPJYEHV-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410470359 230091495 /nfs/dbraw/zinc/09/14/95/230091495.db2.gz DJRNPUKYPJYEHV-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000410477747 230095157 /nfs/dbraw/zinc/09/51/57/230095157.db2.gz VXFXMXSPCFJCLD-INIZCTEOSA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410707590 230204165 /nfs/dbraw/zinc/20/41/65/230204165.db2.gz DLINPZJIYYSPCU-GOEBONIOSA-N 2 1 364.515 0.801 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000410732264 230223470 /nfs/dbraw/zinc/22/34/70/230223470.db2.gz KERJKIJCKDNWPN-HNNXBMFYSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410732264 230223475 /nfs/dbraw/zinc/22/34/75/230223475.db2.gz KERJKIJCKDNWPN-HNNXBMFYSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000410732264 230223480 /nfs/dbraw/zinc/22/34/80/230223480.db2.gz KERJKIJCKDNWPN-HNNXBMFYSA-N 2 1 366.506 0.251 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000410732888 230225980 /nfs/dbraw/zinc/22/59/80/230225980.db2.gz TVQZRWHLZZSBEE-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410732888 230225985 /nfs/dbraw/zinc/22/59/85/230225985.db2.gz TVQZRWHLZZSBEE-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000410732888 230225990 /nfs/dbraw/zinc/22/59/90/230225990.db2.gz TVQZRWHLZZSBEE-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)CC[NH+](C)C ZINC000410732888 230225994 /nfs/dbraw/zinc/22/59/94/230225994.db2.gz TVQZRWHLZZSBEE-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)CC[NH+](C)C ZINC000410732888 230225998 /nfs/dbraw/zinc/22/59/98/230225998.db2.gz TVQZRWHLZZSBEE-SJORKVTESA-N 2 1 367.538 0.023 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410736635 230226786 /nfs/dbraw/zinc/22/67/86/230226786.db2.gz OLXNRODWTXDGGF-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410736632 230227151 /nfs/dbraw/zinc/22/71/51/230227151.db2.gz OLXNRODWTXDGGF-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000410752321 230236418 /nfs/dbraw/zinc/23/64/18/230236418.db2.gz FHZXVYLPDCRUNY-BBWFWOEESA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000410752321 230236420 /nfs/dbraw/zinc/23/64/20/230236420.db2.gz FHZXVYLPDCRUNY-BBWFWOEESA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000410752321 230236425 /nfs/dbraw/zinc/23/64/25/230236425.db2.gz FHZXVYLPDCRUNY-BBWFWOEESA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000410752321 230236428 /nfs/dbraw/zinc/23/64/28/230236428.db2.gz FHZXVYLPDCRUNY-BBWFWOEESA-N 2 1 368.522 0.233 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779691 230245560 /nfs/dbraw/zinc/24/55/60/230245560.db2.gz MAMAKDWJFMJFOU-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779692 230245649 /nfs/dbraw/zinc/24/56/49/230245649.db2.gz MAMAKDWJFMJFOU-HOTGVXAUSA-N 2 1 350.507 0.872 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC2)CC1 ZINC000363793179 488886082 /nfs/dbraw/zinc/88/60/82/488886082.db2.gz HLEJDJVJDONQLK-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP O=C(C(=O)N1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312041187 488895282 /nfs/dbraw/zinc/89/52/82/488895282.db2.gz WHQILHXQHIXDBD-ROUUACIJSA-N 2 1 356.470 0.399 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327013918 488918164 /nfs/dbraw/zinc/91/81/64/488918164.db2.gz GDCLKUBITZICLM-JYJNAYRXSA-N 2 1 354.495 0.108 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(CO)COC(C)(C)OC1)c1ccccc1 ZINC000279211849 488924897 /nfs/dbraw/zinc/92/48/97/488924897.db2.gz HAMRGRQCZMFXOP-INIZCTEOSA-N 2 1 365.474 0.509 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000046227179 487972873 /nfs/dbraw/zinc/97/28/73/487972873.db2.gz GQWZNXWZMXJMNG-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000046869212 487995602 /nfs/dbraw/zinc/99/56/02/487995602.db2.gz HLJSQAOKHYYTQS-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)cc1 ZINC000051210746 488128454 /nfs/dbraw/zinc/12/84/54/488128454.db2.gz LZEIEUBKZKEIBN-UHFFFAOYSA-N 2 1 374.529 0.639 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)cc1 ZINC000051210746 488128457 /nfs/dbraw/zinc/12/84/57/488128457.db2.gz LZEIEUBKZKEIBN-UHFFFAOYSA-N 2 1 374.529 0.639 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000279727783 488964854 /nfs/dbraw/zinc/96/48/54/488964854.db2.gz NAUDTOJUOXIWMA-UHFFFAOYSA-N 2 1 372.517 0.979 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000066102841 488324969 /nfs/dbraw/zinc/32/49/69/488324969.db2.gz FLDKHGUYZMXGGT-OAHLLOKOSA-N 2 1 357.524 0.765 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000067609286 488353275 /nfs/dbraw/zinc/35/32/75/488353275.db2.gz JJGRFPCVLZJVNK-ZWKOTPCHSA-N 2 1 370.538 0.735 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000068065372 488359806 /nfs/dbraw/zinc/35/98/06/488359806.db2.gz NNWKAXJSUMWAIY-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000068065372 488359807 /nfs/dbraw/zinc/35/98/07/488359807.db2.gz NNWKAXJSUMWAIY-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069412541 488372451 /nfs/dbraw/zinc/37/24/51/488372451.db2.gz BKCASJGULDVYJO-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069412541 488372452 /nfs/dbraw/zinc/37/24/52/488372452.db2.gz BKCASJGULDVYJO-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000069505390 488372880 /nfs/dbraw/zinc/37/28/80/488372880.db2.gz VISMAFSWMCATNH-UHFFFAOYSA-N 2 1 367.538 0.912 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000069505904 488373066 /nfs/dbraw/zinc/37/30/66/488373066.db2.gz CBJOTVSSIBWSEP-MRXNPFEDSA-N 2 1 351.495 0.323 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000069505904 488373067 /nfs/dbraw/zinc/37/30/67/488373067.db2.gz CBJOTVSSIBWSEP-MRXNPFEDSA-N 2 1 351.495 0.323 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000073594083 488385097 /nfs/dbraw/zinc/38/50/97/488385097.db2.gz JWSSWRHHJHEBAC-KRWDZBQOSA-N 2 1 369.554 0.765 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098357 488387395 /nfs/dbraw/zinc/38/73/95/488387395.db2.gz SBGRQLNPFSKSMZ-KZNAEPCWSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098357 488387396 /nfs/dbraw/zinc/38/73/96/488387396.db2.gz SBGRQLNPFSKSMZ-KZNAEPCWSA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098357 488387397 /nfs/dbraw/zinc/38/73/97/488387397.db2.gz SBGRQLNPFSKSMZ-KZNAEPCWSA-N 2 1 367.538 0.422 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(C)(C)C ZINC000074301453 488390459 /nfs/dbraw/zinc/39/04/59/488390459.db2.gz WPZSTFVCNLKWEF-YJBOKZPZSA-N 2 1 358.527 0.735 20 0 FCADMP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182968067 488390552 /nfs/dbraw/zinc/39/05/52/488390552.db2.gz LNECNYUMPTYCHB-INIZCTEOSA-N 2 1 368.522 0.356 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000074345362 488390880 /nfs/dbraw/zinc/39/08/80/488390880.db2.gz SKRDNLXZFGZUOO-MRXNPFEDSA-N 2 1 351.495 0.311 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000074345934 488391078 /nfs/dbraw/zinc/39/10/78/488391078.db2.gz YYJYYWSCYXOTSL-AEFFLSMTSA-N 2 1 356.511 0.633 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000074345934 488391080 /nfs/dbraw/zinc/39/10/80/488391080.db2.gz YYJYYWSCYXOTSL-AEFFLSMTSA-N 2 1 356.511 0.633 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000074345363 488391193 /nfs/dbraw/zinc/39/11/93/488391193.db2.gz DQYIQAXKTJEUCK-DLBZAZTESA-N 2 1 365.522 0.844 20 0 FCADMP C[C@](O)(CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863314 488394635 /nfs/dbraw/zinc/39/46/35/488394635.db2.gz ZDUCIUGJMZYUNP-HKUYNNGSSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@](O)(CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C[NH+]1CCOCC1 ZINC000074863314 488394637 /nfs/dbraw/zinc/39/46/37/488394637.db2.gz ZDUCIUGJMZYUNP-HKUYNNGSSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335638 491195542 /nfs/dbraw/zinc/19/55/42/491195542.db2.gz ZCZAQQJLLBQKSQ-CRAIPNDOSA-N 2 1 372.513 0.801 20 0 FCADMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000186650955 488407750 /nfs/dbraw/zinc/40/77/50/488407750.db2.gz CRLPNITYBUHMQC-SFHVURJKSA-N 2 1 370.497 0.731 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000187372491 488409952 /nfs/dbraw/zinc/40/99/52/488409952.db2.gz OMUDJVHOPSQGQH-IRXDYDNUSA-N 2 1 356.511 0.368 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189442550 488414533 /nfs/dbraw/zinc/41/45/33/488414533.db2.gz IQRATVZADRJUIO-IUODEOHRSA-N 2 1 369.535 0.965 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000189442550 488414535 /nfs/dbraw/zinc/41/45/35/488414535.db2.gz IQRATVZADRJUIO-IUODEOHRSA-N 2 1 369.535 0.965 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000189998268 488416627 /nfs/dbraw/zinc/41/66/27/488416627.db2.gz QJSPJHXWGNIWKB-GDBMZVCRSA-N 2 1 352.479 0.311 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000189998268 488416628 /nfs/dbraw/zinc/41/66/28/488416628.db2.gz QJSPJHXWGNIWKB-GDBMZVCRSA-N 2 1 352.479 0.311 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000077775775 488417669 /nfs/dbraw/zinc/41/76/69/488417669.db2.gz FVJZUGCZDVZQGJ-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000077775775 488417670 /nfs/dbraw/zinc/41/76/70/488417670.db2.gz FVJZUGCZDVZQGJ-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000077775776 488417714 /nfs/dbraw/zinc/41/77/14/488417714.db2.gz FVJZUGCZDVZQGJ-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000077775776 488417715 /nfs/dbraw/zinc/41/77/15/488417715.db2.gz FVJZUGCZDVZQGJ-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000077825604 488418226 /nfs/dbraw/zinc/41/82/26/488418226.db2.gz IMBGXPZIDHNASJ-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000077825604 488418228 /nfs/dbraw/zinc/41/82/28/488418228.db2.gz IMBGXPZIDHNASJ-INIZCTEOSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1COCCN1CC[N@@H+]1CCN(CCN2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423993 /nfs/dbraw/zinc/42/39/93/488423993.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 1 368.566 0.824 20 0 FCADMP C[C@@H]1COCCN1CCN1CC[N@H+](CCN2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423994 /nfs/dbraw/zinc/42/39/94/488423994.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 1 368.566 0.824 20 0 FCADMP C[C@@H]1COCCN1CCN1CC[N@@H+](CCN2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423995 /nfs/dbraw/zinc/42/39/95/488423995.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 1 368.566 0.824 20 0 FCADMP CC1CC[NH+](CCCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000079235538 488428416 /nfs/dbraw/zinc/42/84/16/488428416.db2.gz GCTJGQQBYQIEGM-UHFFFAOYSA-N 2 1 367.538 0.962 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081293008 488440380 /nfs/dbraw/zinc/44/03/80/488440380.db2.gz AATXDAULLJOKQF-QGZVFWFLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000246495580 488473289 /nfs/dbraw/zinc/47/32/89/488473289.db2.gz WJAUDXXHPWIPRR-ZMMAXQRCSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000246495580 488473291 /nfs/dbraw/zinc/47/32/91/488473291.db2.gz WJAUDXXHPWIPRR-ZMMAXQRCSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246549836 488473416 /nfs/dbraw/zinc/47/34/16/488473416.db2.gz XDWXHFFPFIQMIO-GJZGRUSLSA-N 2 1 364.494 0.620 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000246848755 488477042 /nfs/dbraw/zinc/47/70/42/488477042.db2.gz KSLBYWIPKQYZSP-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000246848755 488477043 /nfs/dbraw/zinc/47/70/43/488477043.db2.gz KSLBYWIPKQYZSP-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272746 488485163 /nfs/dbraw/zinc/48/51/63/488485163.db2.gz UFMWRIKTTNZNAE-QAPCUYQASA-N 2 1 363.458 0.773 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000269272746 488485165 /nfs/dbraw/zinc/48/51/65/488485165.db2.gz UFMWRIKTTNZNAE-QAPCUYQASA-N 2 1 363.458 0.773 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[NH2+]C[C@H]3CCCO3)c2)CC1 ZINC000269273560 488485540 /nfs/dbraw/zinc/48/55/40/488485540.db2.gz UVQJYCGOWGNLMI-GOSISDBHSA-N 2 1 374.485 0.710 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000269282724 488486671 /nfs/dbraw/zinc/48/66/71/488486671.db2.gz GSRHIGNXTQYIFL-OAHLLOKOSA-N 2 1 364.515 0.938 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000248003072 488492737 /nfs/dbraw/zinc/49/27/37/488492737.db2.gz KOXKWTWCXGUHGI-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000248003072 488492740 /nfs/dbraw/zinc/49/27/40/488492740.db2.gz KOXKWTWCXGUHGI-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000248003072 488492742 /nfs/dbraw/zinc/49/27/42/488492742.db2.gz KOXKWTWCXGUHGI-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000248636922 488499822 /nfs/dbraw/zinc/49/98/22/488499822.db2.gz QMXGSHDXTWMARW-ULQDDVLXSA-N 2 1 368.522 0.584 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103614544 488503038 /nfs/dbraw/zinc/50/30/38/488503038.db2.gz OADFRLYMWIRXQW-KRWDZBQOSA-N 2 1 367.538 0.912 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779731 488505818 /nfs/dbraw/zinc/50/58/18/488505818.db2.gz XCWHCLDLCPMMAP-AWEZNQCLSA-N 2 1 351.495 0.500 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104778523 488505902 /nfs/dbraw/zinc/50/59/02/488505902.db2.gz IWQDGCNDDQGASF-OAHLLOKOSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249119847 488506852 /nfs/dbraw/zinc/50/68/52/488506852.db2.gz PHQDTGHRFOKRDM-SJORKVTESA-N 2 1 370.538 0.830 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249780906 488514967 /nfs/dbraw/zinc/51/49/67/488514967.db2.gz PMMPIBXTGWRHHV-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249780906 488514971 /nfs/dbraw/zinc/51/49/71/488514971.db2.gz PMMPIBXTGWRHHV-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000108591015 488520112 /nfs/dbraw/zinc/52/01/12/488520112.db2.gz SSGZBDZSLMPHCA-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000108591015 488520115 /nfs/dbraw/zinc/52/01/15/488520115.db2.gz SSGZBDZSLMPHCA-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108591015 488520117 /nfs/dbraw/zinc/52/01/17/488520117.db2.gz SSGZBDZSLMPHCA-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108591015 488520120 /nfs/dbraw/zinc/52/01/20/488520120.db2.gz SSGZBDZSLMPHCA-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+]1CCCC1 ZINC000109395228 488522979 /nfs/dbraw/zinc/52/29/79/488522979.db2.gz SECMSSVTPOUHQB-OAHLLOKOSA-N 2 1 353.511 0.570 20 0 FCADMP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261600121 488527067 /nfs/dbraw/zinc/52/70/67/488527067.db2.gz AYKQUQJQKOICLW-HNNXBMFYSA-N 2 1 350.438 0.571 20 0 FCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)O1 ZINC000261674067 488529977 /nfs/dbraw/zinc/52/99/77/488529977.db2.gz GMYLKFLVUBGOOF-MOPGFXCFSA-N 2 1 360.502 0.817 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N1CC[NH+](C)CC1 ZINC000111812442 488531760 /nfs/dbraw/zinc/53/17/60/488531760.db2.gz DZYKLPGLJFZVSL-GOSISDBHSA-N 2 1 369.554 0.262 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000271627962 488532572 /nfs/dbraw/zinc/53/25/72/488532572.db2.gz FAZBHOCZLGYKFA-UHFFFAOYSA-N 2 1 362.478 0.689 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757806 488534833 /nfs/dbraw/zinc/53/48/33/488534833.db2.gz JLLXFRLCABSKDO-DLBZAZTESA-N 2 1 362.518 0.921 20 0 FCADMP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261871352 488539461 /nfs/dbraw/zinc/53/94/61/488539461.db2.gz SZTXPLGWMZLYHC-LJQANCHMSA-N 2 1 374.485 0.201 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262008969 488545808 /nfs/dbraw/zinc/54/58/08/488545808.db2.gz QOTLGSUBQPXDIG-CABCVRRESA-N 2 1 350.850 0.681 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000262026967 488547005 /nfs/dbraw/zinc/54/70/05/488547005.db2.gz NQVNCIHKLJIKJJ-CQSZACIVSA-N 2 1 367.519 0.799 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000262026967 488547007 /nfs/dbraw/zinc/54/70/07/488547007.db2.gz NQVNCIHKLJIKJJ-CQSZACIVSA-N 2 1 367.519 0.799 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000117029433 488550242 /nfs/dbraw/zinc/55/02/42/488550242.db2.gz UUFCZKNZSVRPOG-IRXDYDNUSA-N 2 1 356.511 0.705 20 0 FCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000271896320 488552866 /nfs/dbraw/zinc/55/28/66/488552866.db2.gz NXDDACIEYQMSRI-UHFFFAOYSA-N 2 1 360.458 0.944 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000120315603 488560778 /nfs/dbraw/zinc/56/07/78/488560778.db2.gz RUXHOUNTBYWPPR-YJBOKZPZSA-N 2 1 352.479 0.910 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000120519659 488561744 /nfs/dbraw/zinc/56/17/44/488561744.db2.gz ZAYITMOPVYLZNO-PKOBYXMFSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262299479 488562565 /nfs/dbraw/zinc/56/25/65/488562565.db2.gz XGUSWVSKMIXPDO-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3NCCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311904 488563355 /nfs/dbraw/zinc/56/33/55/488563355.db2.gz QLIDBLWVHAVLDC-XUWXXGDYSA-N 2 1 363.458 0.771 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3NCCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311904 488563356 /nfs/dbraw/zinc/56/33/56/488563356.db2.gz QLIDBLWVHAVLDC-XUWXXGDYSA-N 2 1 363.458 0.771 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262453072 488570818 /nfs/dbraw/zinc/57/08/18/488570818.db2.gz WFCRQYZAFPLTFH-JKSUJKDBSA-N 2 1 360.458 0.701 20 0 FCADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000262634506 488583318 /nfs/dbraw/zinc/58/33/18/488583318.db2.gz GYJMKDIBXLTTNI-OAHLLOKOSA-N 2 1 351.447 0.630 20 0 FCADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000262634506 488583320 /nfs/dbraw/zinc/58/33/20/488583320.db2.gz GYJMKDIBXLTTNI-OAHLLOKOSA-N 2 1 351.447 0.630 20 0 FCADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000123799712 488587729 /nfs/dbraw/zinc/58/77/29/488587729.db2.gz GEXULISBECSBTA-INIZCTEOSA-N 2 1 373.501 0.755 20 0 FCADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000123799712 488587732 /nfs/dbraw/zinc/58/77/32/488587732.db2.gz GEXULISBECSBTA-INIZCTEOSA-N 2 1 373.501 0.755 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1 ZINC000124665825 488595213 /nfs/dbraw/zinc/59/52/13/488595213.db2.gz MYEMRMKICKXKHL-OAHLLOKOSA-N 2 1 350.467 0.233 20 0 FCADMP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262897046 488598274 /nfs/dbraw/zinc/59/82/74/488598274.db2.gz PDIBZIZZCJXQAH-IAGOWNOFSA-N 2 1 362.474 0.364 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563077663 491213215 /nfs/dbraw/zinc/21/32/15/491213215.db2.gz NFCPHUOPTBOSJA-KBAYOESNSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000133223297 488658427 /nfs/dbraw/zinc/65/84/27/488658427.db2.gz HQTFPNGMQPBQHR-CYBMUJFWSA-N 2 1 362.434 0.395 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)CC1 ZINC000135418387 488672936 /nfs/dbraw/zinc/67/29/36/488672936.db2.gz RMIWTCUXRQXNHL-UHFFFAOYSA-N 2 1 365.522 0.855 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(CO)CO ZINC000135914917 488675767 /nfs/dbraw/zinc/67/57/67/488675767.db2.gz BEZMSJYDCMNHQK-AEFFLSMTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(CO)CO ZINC000135914917 488675769 /nfs/dbraw/zinc/67/57/69/488675769.db2.gz BEZMSJYDCMNHQK-AEFFLSMTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914917 488675771 /nfs/dbraw/zinc/67/57/71/488675771.db2.gz BEZMSJYDCMNHQK-AEFFLSMTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914917 488675773 /nfs/dbraw/zinc/67/57/73/488675773.db2.gz BEZMSJYDCMNHQK-AEFFLSMTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(CO)CO ZINC000135914877 488675855 /nfs/dbraw/zinc/67/58/55/488675855.db2.gz BEZMSJYDCMNHQK-WMZOPIPTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(CO)CO ZINC000135914877 488675858 /nfs/dbraw/zinc/67/58/58/488675858.db2.gz BEZMSJYDCMNHQK-WMZOPIPTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914877 488675861 /nfs/dbraw/zinc/67/58/61/488675861.db2.gz BEZMSJYDCMNHQK-WMZOPIPTSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914877 488675864 /nfs/dbraw/zinc/67/58/64/488675864.db2.gz BEZMSJYDCMNHQK-WMZOPIPTSA-N 2 1 363.502 0.688 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000136644628 488678741 /nfs/dbraw/zinc/67/87/41/488678741.db2.gz KIRZILYOKFWUFL-QGZVFWFLSA-N 2 1 363.506 0.561 20 0 FCADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCCC1 ZINC000137121039 488680231 /nfs/dbraw/zinc/68/02/31/488680231.db2.gz YLZKMLRSSCKIQB-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000264522520 488681963 /nfs/dbraw/zinc/68/19/63/488681963.db2.gz WKHRUZKODMGMGE-LJQANCHMSA-N 2 1 360.502 0.885 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000151443217 488705518 /nfs/dbraw/zinc/70/55/18/488705518.db2.gz OCVJYHPROXLJIU-UHFFFAOYSA-N 2 1 350.467 0.183 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)C[NH+]1CCCC1 ZINC000554630610 491214394 /nfs/dbraw/zinc/21/43/94/491214394.db2.gz VUXFEGMMYVLBDE-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563090876 491214711 /nfs/dbraw/zinc/21/47/11/491214711.db2.gz UUDZYDOMAJTPJK-HNNXBMFYSA-N 2 1 364.494 0.461 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152395899 488716983 /nfs/dbraw/zinc/71/69/83/488716983.db2.gz JEDZPRJLKWTBNY-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152395899 488716986 /nfs/dbraw/zinc/71/69/86/488716986.db2.gz JEDZPRJLKWTBNY-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152395899 488716988 /nfs/dbraw/zinc/71/69/88/488716988.db2.gz JEDZPRJLKWTBNY-AWEZNQCLSA-N 2 1 368.503 0.936 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000570077727 491215012 /nfs/dbraw/zinc/21/50/12/491215012.db2.gz OLCZKCVMAMXLNA-BSDSXHPESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000570077724 491215026 /nfs/dbraw/zinc/21/50/26/491215026.db2.gz OLCZKCVMAMXLNA-BRSBDYLESA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000153248405 488729380 /nfs/dbraw/zinc/72/93/80/488729380.db2.gz JWYRWGIOPSLEGU-OAHLLOKOSA-N 2 1 364.494 0.620 20 0 FCADMP CN(C(=O)COCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000153429800 488730661 /nfs/dbraw/zinc/73/06/61/488730661.db2.gz PVWUBWPNDUYJEI-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C(=O)COCC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000153429800 488730664 /nfs/dbraw/zinc/73/06/64/488730664.db2.gz PVWUBWPNDUYJEI-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP CN(C(=O)COCC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153429800 488730666 /nfs/dbraw/zinc/73/06/66/488730666.db2.gz PVWUBWPNDUYJEI-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP Cc1occc1C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000154918721 488748830 /nfs/dbraw/zinc/74/88/30/488748830.db2.gz RQQRYJTWLXNBGG-UHFFFAOYSA-N 2 1 350.463 0.802 20 0 FCADMP Cc1occc1C(=O)NCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000154918721 488748832 /nfs/dbraw/zinc/74/88/32/488748832.db2.gz RQQRYJTWLXNBGG-UHFFFAOYSA-N 2 1 350.463 0.802 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155484341 488755805 /nfs/dbraw/zinc/75/58/05/488755805.db2.gz ZSUAALXFLQXPHS-GOSISDBHSA-N 2 1 352.523 0.726 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000155615283 488757181 /nfs/dbraw/zinc/75/71/81/488757181.db2.gz OCOSNZYGVHHJTH-SJLPKXTDSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155615283 488757184 /nfs/dbraw/zinc/75/71/84/488757184.db2.gz OCOSNZYGVHHJTH-SJLPKXTDSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CN1CC[NH+](C)CC1 ZINC000155615283 488757186 /nfs/dbraw/zinc/75/71/86/488757186.db2.gz OCOSNZYGVHHJTH-SJLPKXTDSA-N 2 1 352.523 0.630 20 0 FCADMP CC(=O)N[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710377 488773201 /nfs/dbraw/zinc/77/32/01/488773201.db2.gz XDVAVJAQGVYNFD-ROUUACIJSA-N 2 1 366.506 0.204 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000158668885 488779729 /nfs/dbraw/zinc/77/97/29/488779729.db2.gz KHBQUSOOCDPEPW-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000267421419 488785071 /nfs/dbraw/zinc/78/50/71/488785071.db2.gz ZOSREOFFIHTQCZ-MRXNPFEDSA-N 2 1 362.474 0.832 20 0 FCADMP O=C(CC1CC[NH2+]CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000166981871 488812186 /nfs/dbraw/zinc/81/21/86/488812186.db2.gz ISQRBXMRQDOGTB-UHFFFAOYSA-N 2 1 358.486 0.837 20 0 FCADMP CSCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000166983116 488812267 /nfs/dbraw/zinc/81/22/67/488812267.db2.gz HKVUSTJKWNVQDE-INIZCTEOSA-N 2 1 364.515 0.527 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171203811 488821160 /nfs/dbraw/zinc/82/11/60/488821160.db2.gz OWCDEHQQDOLUSL-UHFFFAOYSA-N 2 1 355.527 0.422 20 0 FCADMP C[NH+](C)CCNC(=O)C1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000171923202 488828947 /nfs/dbraw/zinc/82/89/47/488828947.db2.gz OZTNPKNPONQTEJ-ZDUSSCGKSA-N 2 1 364.412 0.539 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000172721149 488837099 /nfs/dbraw/zinc/83/70/99/488837099.db2.gz BQGJHGLTEKPYPM-MRXNPFEDSA-N 2 1 362.430 0.815 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000172721149 488837100 /nfs/dbraw/zinc/83/71/00/488837100.db2.gz BQGJHGLTEKPYPM-MRXNPFEDSA-N 2 1 362.430 0.815 20 0 FCADMP Cc1cc(N2CC[C@H]([N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173682377 488844616 /nfs/dbraw/zinc/84/46/16/488844616.db2.gz LNGVENHOMPSEAW-WBVHZDCISA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[NH+](C)CC1 ZINC000174292344 488848498 /nfs/dbraw/zinc/84/84/98/488848498.db2.gz NUABXLTUTJFOMJ-ROUUACIJSA-N 2 1 351.539 0.997 20 0 FCADMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)sc2C1 ZINC000174458680 488849328 /nfs/dbraw/zinc/84/93/28/488849328.db2.gz SOYSSTJXYOYQIY-GFCCVEGCSA-N 2 1 365.503 0.870 20 0 FCADMP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)sc2C1 ZINC000174458680 488849329 /nfs/dbraw/zinc/84/93/29/488849329.db2.gz SOYSSTJXYOYQIY-GFCCVEGCSA-N 2 1 365.503 0.870 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000175573070 488854339 /nfs/dbraw/zinc/85/43/39/488854339.db2.gz GNLZDOSQGYQCSE-CALCHBBNSA-N 2 1 369.554 0.811 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175551647 488854419 /nfs/dbraw/zinc/85/44/19/488854419.db2.gz NPSQNUOOOWZKGO-GOSISDBHSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000176013648 488857060 /nfs/dbraw/zinc/85/70/60/488857060.db2.gz HTMXGOLJJSDLLT-WMZOPIPTSA-N 2 1 354.539 0.779 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000177853795 488859872 /nfs/dbraw/zinc/85/98/72/488859872.db2.gz ZZUZSDKIMXFOKV-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000177853795 488859873 /nfs/dbraw/zinc/85/98/73/488859873.db2.gz ZZUZSDKIMXFOKV-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000178151961 488860043 /nfs/dbraw/zinc/86/00/43/488860043.db2.gz BUUVAYDXDNKTAS-QGZVFWFLSA-N 2 1 366.506 0.254 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000178151961 488860044 /nfs/dbraw/zinc/86/00/44/488860044.db2.gz BUUVAYDXDNKTAS-QGZVFWFLSA-N 2 1 366.506 0.254 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000570264653 491228564 /nfs/dbraw/zinc/22/85/64/491228564.db2.gz OSHATAWPIFKIGL-IAGOWNOFSA-N 2 1 360.506 0.972 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCOCC1 ZINC000365187590 489047931 /nfs/dbraw/zinc/04/79/31/489047931.db2.gz ZWMQXJDBGKLDFT-ULQDDVLXSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCOCC1 ZINC000365187590 489047932 /nfs/dbraw/zinc/04/79/32/489047932.db2.gz ZWMQXJDBGKLDFT-ULQDDVLXSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CCCO1 ZINC000365473338 489079063 /nfs/dbraw/zinc/07/90/63/489079063.db2.gz ZXTKVPYTVIIKRV-IXDOHACOSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCO1 ZINC000365473338 489079065 /nfs/dbraw/zinc/07/90/65/489079065.db2.gz ZXTKVPYTVIIKRV-IXDOHACOSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCO1 ZINC000365473338 489079067 /nfs/dbraw/zinc/07/90/67/489079067.db2.gz ZXTKVPYTVIIKRV-IXDOHACOSA-N 2 1 354.495 0.650 20 0 FCADMP COc1coc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1=O ZINC000281580347 489088612 /nfs/dbraw/zinc/08/86/12/489088612.db2.gz KZVBNMFJEOMTOK-UHFFFAOYSA-N 2 1 372.425 0.986 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298783 489088779 /nfs/dbraw/zinc/08/87/79/489088779.db2.gz HPKVNYGUGLDDAY-CVEARBPZSA-N 2 1 366.506 0.108 20 0 FCADMP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000289875593 489099633 /nfs/dbraw/zinc/09/96/33/489099633.db2.gz LXQADADDEHTCAW-KRWDZBQOSA-N 2 1 362.474 0.331 20 0 FCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC2)cn1 ZINC000289938453 489104063 /nfs/dbraw/zinc/10/40/63/489104063.db2.gz OOIJEUUWKMDFLP-INIZCTEOSA-N 2 1 365.478 0.608 20 0 FCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC2)cn1 ZINC000289938453 489104066 /nfs/dbraw/zinc/10/40/66/489104066.db2.gz OOIJEUUWKMDFLP-INIZCTEOSA-N 2 1 365.478 0.608 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000290415929 489138265 /nfs/dbraw/zinc/13/82/65/489138265.db2.gz JJSADDJFZSOVGC-JKSUJKDBSA-N 2 1 359.474 0.625 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)C2 ZINC000290574832 489150714 /nfs/dbraw/zinc/15/07/14/489150714.db2.gz SCPGBOSHELMYKZ-DOTOQJQBSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)C2 ZINC000290574832 489150718 /nfs/dbraw/zinc/15/07/18/489150718.db2.gz SCPGBOSHELMYKZ-DOTOQJQBSA-N 2 1 359.474 0.519 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CCOCCO)CC1 ZINC000282285721 489151288 /nfs/dbraw/zinc/15/12/88/489151288.db2.gz FBTVWODSBIKMNU-UHFFFAOYSA-N 2 1 363.502 0.970 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CCOCCO)CC1 ZINC000282285721 489151292 /nfs/dbraw/zinc/15/12/92/489151292.db2.gz FBTVWODSBIKMNU-UHFFFAOYSA-N 2 1 363.502 0.970 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CCOCCO)CC1 ZINC000282285721 489151296 /nfs/dbraw/zinc/15/12/96/489151296.db2.gz FBTVWODSBIKMNU-UHFFFAOYSA-N 2 1 363.502 0.970 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CCOCCO)CC1 ZINC000282285721 489151299 /nfs/dbraw/zinc/15/12/99/489151299.db2.gz FBTVWODSBIKMNU-UHFFFAOYSA-N 2 1 363.502 0.970 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000366400513 489177634 /nfs/dbraw/zinc/17/76/34/489177634.db2.gz RHUFUMYLLVJINX-IRXDYDNUSA-N 2 1 353.507 0.935 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000331372561 489203276 /nfs/dbraw/zinc/20/32/76/489203276.db2.gz FFNQCWMKFPIYGA-ZACQAIPSSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408586 489207688 /nfs/dbraw/zinc/20/76/88/489207688.db2.gz IWHNYXGFSNBGMU-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CN1CCN(C(=O)c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2)CC1 ZINC000555136358 491239528 /nfs/dbraw/zinc/23/95/28/491239528.db2.gz VSXXZVGAVOEGHA-LJQANCHMSA-N 3 1 360.502 0.619 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000331449711 489213232 /nfs/dbraw/zinc/21/32/32/489213232.db2.gz YZFPJJBYEFCKHJ-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331449711 489213235 /nfs/dbraw/zinc/21/32/35/489213235.db2.gz YZFPJJBYEFCKHJ-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331449711 489213237 /nfs/dbraw/zinc/21/32/37/489213237.db2.gz YZFPJJBYEFCKHJ-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000668332678 493332787 /nfs/dbraw/zinc/33/27/87/493332787.db2.gz UFTJXKMESJLGDW-MRXNPFEDSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000283193318 489225590 /nfs/dbraw/zinc/22/55/90/489225590.db2.gz APXAJRWKCRTXMP-CYBMUJFWSA-N 2 1 356.492 0.161 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)CC1 ZINC000332779374 489229470 /nfs/dbraw/zinc/22/94/70/489229470.db2.gz QNPSFVDZDZMMGC-ZHALLVOQSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000297739552 489233008 /nfs/dbraw/zinc/23/30/08/489233008.db2.gz RXXXDYXXLQGJEN-GOSISDBHSA-N 2 1 357.458 0.910 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000297739552 489233011 /nfs/dbraw/zinc/23/30/11/489233011.db2.gz RXXXDYXXLQGJEN-GOSISDBHSA-N 2 1 357.458 0.910 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C ZINC000332871730 489241242 /nfs/dbraw/zinc/24/12/42/489241242.db2.gz RWSPTQJYOUCURD-CYGHRXIMSA-N 2 1 368.522 0.461 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1C ZINC000332996829 489255054 /nfs/dbraw/zinc/25/50/54/489255054.db2.gz GWYZAWOMYIVJST-CGTJXYLNSA-N 2 1 368.522 0.726 20 0 FCADMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1C ZINC000332996829 489255057 /nfs/dbraw/zinc/25/50/57/489255057.db2.gz GWYZAWOMYIVJST-CGTJXYLNSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000563404588 491242784 /nfs/dbraw/zinc/24/27/84/491242784.db2.gz YNBUSCLLHRWIHH-SOLBZPMBSA-N 2 1 360.502 0.937 20 0 FCADMP CC(C)COC(=O)N1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369804069 489277235 /nfs/dbraw/zinc/27/72/35/489277235.db2.gz DWBBJHOCMHIJEG-UHFFFAOYSA-N 2 1 354.495 0.951 20 0 FCADMP CC(C)COC(=O)N1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369804069 489277238 /nfs/dbraw/zinc/27/72/38/489277238.db2.gz DWBBJHOCMHIJEG-UHFFFAOYSA-N 2 1 354.495 0.951 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570501163 491245006 /nfs/dbraw/zinc/24/50/06/491245006.db2.gz LBVKPRFNVDCQEJ-NVXWUHKLSA-N 2 1 359.474 0.238 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000298034888 489280378 /nfs/dbraw/zinc/28/03/78/489280378.db2.gz ODLCSBUCBKIEGL-INIZCTEOSA-N 2 1 364.490 0.970 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000283614120 489281343 /nfs/dbraw/zinc/28/13/43/489281343.db2.gz VSOLADHCDSXONI-UHFFFAOYSA-N 2 1 364.494 0.341 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000369860790 489283433 /nfs/dbraw/zinc/28/34/33/489283433.db2.gz HPWRTSMXFGJVBH-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863060 489283555 /nfs/dbraw/zinc/28/35/55/489283555.db2.gz QKTDWZGDZMDXIS-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369863060 489283558 /nfs/dbraw/zinc/28/35/58/489283558.db2.gz QKTDWZGDZMDXIS-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369863060 489283562 /nfs/dbraw/zinc/28/35/62/489283562.db2.gz QKTDWZGDZMDXIS-SJORKVTESA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369863059 489284042 /nfs/dbraw/zinc/28/40/42/489284042.db2.gz QKTDWZGDZMDXIS-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369863059 489284046 /nfs/dbraw/zinc/28/40/46/489284046.db2.gz QKTDWZGDZMDXIS-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369863059 489284048 /nfs/dbraw/zinc/28/40/48/489284048.db2.gz QKTDWZGDZMDXIS-IRXDYDNUSA-N 2 1 353.511 0.176 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000283662110 489288029 /nfs/dbraw/zinc/28/80/29/489288029.db2.gz ZPQJTSLDKVTWQI-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283662110 489288032 /nfs/dbraw/zinc/28/80/32/489288032.db2.gz ZPQJTSLDKVTWQI-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283662110 489288034 /nfs/dbraw/zinc/28/80/34/489288034.db2.gz ZPQJTSLDKVTWQI-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370068296 489313176 /nfs/dbraw/zinc/31/31/76/489313176.db2.gz WQNDFXRNVAOTGU-IAGOWNOFSA-N 2 1 374.485 0.975 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000370158192 489322309 /nfs/dbraw/zinc/32/23/09/489322309.db2.gz BUALCXUDPIDAHI-IYBDPMFKSA-N 2 1 366.506 0.949 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000370158192 489322310 /nfs/dbraw/zinc/32/23/10/489322310.db2.gz BUALCXUDPIDAHI-IYBDPMFKSA-N 2 1 366.506 0.949 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000285838481 489324921 /nfs/dbraw/zinc/32/49/21/489324921.db2.gz JCQZVCYPERVMDW-OAHLLOKOSA-N 2 1 357.458 0.944 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000285838481 489324924 /nfs/dbraw/zinc/32/49/24/489324924.db2.gz JCQZVCYPERVMDW-OAHLLOKOSA-N 2 1 357.458 0.944 20 0 FCADMP CCCn1ccnc1CCCN(C)C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000285907406 489332715 /nfs/dbraw/zinc/33/27/15/489332715.db2.gz KBOHSMDIJULOPQ-UHFFFAOYSA-N 2 1 367.494 0.379 20 0 FCADMP CCCn1ccnc1CCCN(C)C(=O)C(=O)NCCN(C)CCOC ZINC000285907406 489332719 /nfs/dbraw/zinc/33/27/19/489332719.db2.gz KBOHSMDIJULOPQ-UHFFFAOYSA-N 2 1 367.494 0.379 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1(C)C ZINC000370250161 489334841 /nfs/dbraw/zinc/33/48/41/489334841.db2.gz GUDYMENPMUXPTB-QGZVFWFLSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000370250161 489334845 /nfs/dbraw/zinc/33/48/45/489334845.db2.gz GUDYMENPMUXPTB-QGZVFWFLSA-N 2 1 352.523 0.772 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000370250161 489334849 /nfs/dbraw/zinc/33/48/49/489334849.db2.gz GUDYMENPMUXPTB-QGZVFWFLSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)[N@H+]1CCO ZINC000563470034 491250004 /nfs/dbraw/zinc/25/00/04/491250004.db2.gz BJVBEIIELSJPAL-OKILXGFUSA-N 2 1 360.458 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)[N@@H+]1CCO ZINC000563470034 491250005 /nfs/dbraw/zinc/25/00/05/491250005.db2.gz BJVBEIIELSJPAL-OKILXGFUSA-N 2 1 360.458 0.184 20 0 FCADMP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000286231600 489371731 /nfs/dbraw/zinc/37/17/31/489371731.db2.gz UJTNTOSMVCLXCH-MRXNPFEDSA-N 2 1 366.893 0.957 20 0 FCADMP COC(=O)[C@@H]1C[NH+](CC2(C[N@H+]3C[C@@H](C)[C@H](C(=O)OC)C3)COC2)C[C@H]1C ZINC000370560816 489375180 /nfs/dbraw/zinc/37/51/80/489375180.db2.gz FRWSKNIBFUKOBJ-KLHDSHLOSA-N 2 1 368.474 0.485 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccc(Cl)c1 ZINC000570583218 491251214 /nfs/dbraw/zinc/25/12/14/491251214.db2.gz ZBRIPXVGFORTAG-KFWWJZLASA-N 2 1 350.850 0.713 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1cccc(Cl)c1 ZINC000570583220 491251359 /nfs/dbraw/zinc/25/13/59/491251359.db2.gz ZBRIPXVGFORTAG-ZNMIVQPWSA-N 2 1 350.850 0.713 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688376 489392095 /nfs/dbraw/zinc/39/20/95/489392095.db2.gz MDZGDYLLPVFRBI-XLIONFOSSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688376 489392098 /nfs/dbraw/zinc/39/20/98/489392098.db2.gz MDZGDYLLPVFRBI-XLIONFOSSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CCO1 ZINC000362688376 489392100 /nfs/dbraw/zinc/39/21/00/489392100.db2.gz MDZGDYLLPVFRBI-XLIONFOSSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CCO1 ZINC000362688376 489392103 /nfs/dbraw/zinc/39/21/03/489392103.db2.gz MDZGDYLLPVFRBI-XLIONFOSSA-N 2 1 372.513 0.913 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@H](C)C1 ZINC000570629360 491254028 /nfs/dbraw/zinc/25/40/28/491254028.db2.gz AJHWMZPACGIWTR-HUUCEWRRSA-N 2 1 352.483 0.494 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1C ZINC000286679510 489417232 /nfs/dbraw/zinc/41/72/32/489417232.db2.gz BJONVQJVMCYOFP-OLZOCXBDSA-N 2 1 350.467 0.091 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000563459818 491249286 /nfs/dbraw/zinc/24/92/86/491249286.db2.gz ZHKHEPSEJJQXJM-MSOLQXFVSA-N 2 1 358.486 0.615 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000371021575 489438807 /nfs/dbraw/zinc/43/88/07/489438807.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 2 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021575 489438810 /nfs/dbraw/zinc/43/88/10/489438810.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021575 489438813 /nfs/dbraw/zinc/43/88/13/489438813.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021575 489438816 /nfs/dbraw/zinc/43/88/16/489438816.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 3 1 353.511 0.175 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000371021575 489438819 /nfs/dbraw/zinc/43/88/19/489438819.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 3 1 353.511 0.175 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469814 489485218 /nfs/dbraw/zinc/48/52/18/489485218.db2.gz GSGNADJVDFAJGO-GUDVDZBRSA-N 2 1 374.533 0.912 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595201 491256860 /nfs/dbraw/zinc/25/68/60/491256860.db2.gz RVRRUAHBONLAJV-UHFFFAOYSA-N 2 1 351.451 0.175 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000371639042 489491567 /nfs/dbraw/zinc/49/15/67/489491567.db2.gz BDMYFEKYDHHWNV-MRXNPFEDSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000371639042 489491568 /nfs/dbraw/zinc/49/15/68/489491568.db2.gz BDMYFEKYDHHWNV-MRXNPFEDSA-N 2 1 351.495 0.465 20 0 FCADMP CC(C)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC000371638835 489491595 /nfs/dbraw/zinc/49/15/95/489491595.db2.gz VFZJHJUJJCDVIU-HNNXBMFYSA-N 2 1 351.495 0.417 20 0 FCADMP CC(C)N1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000371638835 489491596 /nfs/dbraw/zinc/49/15/96/489491596.db2.gz VFZJHJUJJCDVIU-HNNXBMFYSA-N 2 1 351.495 0.417 20 0 FCADMP COC[C@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000423086841 489491890 /nfs/dbraw/zinc/49/18/90/489491890.db2.gz MOLRQZBUJNNNJD-HNNXBMFYSA-N 2 1 367.412 0.726 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000371654444 489492791 /nfs/dbraw/zinc/49/27/91/489492791.db2.gz RSKKGDNYGINSQI-KRWDZBQOSA-N 2 1 365.522 0.273 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000423115964 489494132 /nfs/dbraw/zinc/49/41/32/489494132.db2.gz ZFVCXIZHDWBKEP-XGUBFFRZSA-N 2 1 351.413 0.996 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000423153062 489497411 /nfs/dbraw/zinc/49/74/11/489497411.db2.gz FZIGEBPOJQPXSK-INIZCTEOSA-N 2 1 361.490 0.870 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)c1 ZINC000423159042 489498242 /nfs/dbraw/zinc/49/82/42/489498242.db2.gz OOAMMMLPMWUUQY-INIZCTEOSA-N 2 1 359.474 0.626 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423163636 489498339 /nfs/dbraw/zinc/49/83/39/489498339.db2.gz NCTTWBLNLLHCIC-QGZVFWFLSA-N 2 1 359.474 0.326 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423186152 489500703 /nfs/dbraw/zinc/50/07/03/489500703.db2.gz KLVQDFDXNRKFHL-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423186152 489500706 /nfs/dbraw/zinc/50/07/06/489500706.db2.gz KLVQDFDXNRKFHL-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000423193348 489501246 /nfs/dbraw/zinc/50/12/46/489501246.db2.gz XFMKDPCQGCBLTM-LUKYLMHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000423230789 489505672 /nfs/dbraw/zinc/50/56/72/489505672.db2.gz KCKUJECSNVXZDK-IBGZPJMESA-N 2 1 372.513 0.974 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000423292382 489512012 /nfs/dbraw/zinc/51/20/12/489512012.db2.gz MTYILVDDQUOQSU-HXUWFJFHSA-N 2 1 358.486 0.918 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423287996 489512143 /nfs/dbraw/zinc/51/21/43/489512143.db2.gz PVNRNUMKVJHUKV-YESZJQIVSA-N 2 1 373.501 0.787 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)[nH+]c1 ZINC000424553173 489516035 /nfs/dbraw/zinc/51/60/35/489516035.db2.gz RBOFNCSMLOXMAD-MRXNPFEDSA-N 2 1 373.501 1.299 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000451673379 489516940 /nfs/dbraw/zinc/51/69/40/489516940.db2.gz VJDYPKIAKRUKGI-INIZCTEOSA-N 2 1 355.504 0.873 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000451673379 489516942 /nfs/dbraw/zinc/51/69/42/489516942.db2.gz VJDYPKIAKRUKGI-INIZCTEOSA-N 2 1 355.504 0.873 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000415496889 489525119 /nfs/dbraw/zinc/52/51/19/489525119.db2.gz LCQDILONJZLTSG-HNNXBMFYSA-N 2 1 363.462 0.759 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000425874236 489537090 /nfs/dbraw/zinc/53/70/90/489537090.db2.gz QZICILXEQZZGFD-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425881618 489539720 /nfs/dbraw/zinc/53/97/20/489539720.db2.gz CWBCTEKLLURZOQ-GOEBONIOSA-N 2 1 366.506 0.155 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425881618 489539726 /nfs/dbraw/zinc/53/97/26/489539726.db2.gz CWBCTEKLLURZOQ-GOEBONIOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000415685881 489541501 /nfs/dbraw/zinc/54/15/01/489541501.db2.gz GZBSEDWLFCSEQP-HXUWFJFHSA-N 2 1 374.485 0.697 20 0 FCADMP C[NH2+]CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415792092 489553786 /nfs/dbraw/zinc/55/37/86/489553786.db2.gz RTJCFMFRRFQZME-UHFFFAOYSA-N 2 1 371.283 0.937 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1)C1CC1 ZINC000415866325 489561601 /nfs/dbraw/zinc/56/16/01/489561601.db2.gz VGTPNPJEUZWBCM-GOSISDBHSA-N 2 1 374.485 0.838 20 0 FCADMP C[C@@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000454324035 489568223 /nfs/dbraw/zinc/56/82/23/489568223.db2.gz VHVCISRYXOWPKD-HNNXBMFYSA-N 2 1 361.490 0.824 20 0 FCADMP C[C@](O)(CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000416161903 489572827 /nfs/dbraw/zinc/57/28/27/489572827.db2.gz OAULVUBVDBCZQS-FQEVSTJZSA-N 2 1 361.486 0.634 20 0 FCADMP C[C@](O)(CNC(=O)CC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000416161903 489572829 /nfs/dbraw/zinc/57/28/29/489572829.db2.gz OAULVUBVDBCZQS-FQEVSTJZSA-N 2 1 361.486 0.634 20 0 FCADMP COc1cc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000416335666 489583982 /nfs/dbraw/zinc/58/39/82/489583982.db2.gz WCJYUSQXOTVHBD-INIZCTEOSA-N 2 1 362.474 0.964 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000570792686 491264804 /nfs/dbraw/zinc/26/48/04/491264804.db2.gz FYMXDRPPZWKKQL-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)NC3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000555674518 491265088 /nfs/dbraw/zinc/26/50/88/491265088.db2.gz JCYYKDXSXBWCOM-UHFFFAOYSA-N 2 1 374.489 0.389 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+](C)C1CC1 ZINC000427087318 489593768 /nfs/dbraw/zinc/59/37/68/489593768.db2.gz NRMZKFMSMXVHSS-ZDUSSCGKSA-N 2 1 362.478 0.687 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)n2)CC1 ZINC000427314000 489602609 /nfs/dbraw/zinc/60/26/09/489602609.db2.gz LEQCGEKITCHGDL-ZBFHGGJFSA-N 2 1 374.489 0.641 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000416857129 489631872 /nfs/dbraw/zinc/63/18/72/489631872.db2.gz XVJCFPIPVYECRB-ZBFHGGJFSA-N 2 1 350.463 0.976 20 0 FCADMP COCC1(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000416960275 489636833 /nfs/dbraw/zinc/63/68/33/489636833.db2.gz ZXXLSBSDHNMSBW-IYBDPMFKSA-N 2 1 356.511 0.801 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000416977692 489637379 /nfs/dbraw/zinc/63/73/79/489637379.db2.gz UEQWRQKAHONHBU-HNNXBMFYSA-N 2 1 361.490 0.729 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000417035426 489639303 /nfs/dbraw/zinc/63/93/03/489639303.db2.gz GGZBPSFWGMWJJT-KRWDZBQOSA-N 2 1 365.453 0.317 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417055322 489639826 /nfs/dbraw/zinc/63/98/26/489639826.db2.gz WTKXWPCKJAUBBU-OAHLLOKOSA-N 2 1 353.511 0.808 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)[nH+]c1 ZINC000417060258 489639964 /nfs/dbraw/zinc/63/99/64/489639964.db2.gz JFASSEBRTMDITL-MRXNPFEDSA-N 2 1 372.477 1.289 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000417066288 489640462 /nfs/dbraw/zinc/64/04/62/489640462.db2.gz CGHORJDFUMAFBZ-MCIONIFRSA-N 2 1 363.428 0.749 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000417066290 489640649 /nfs/dbraw/zinc/64/06/49/489640649.db2.gz CGHORJDFUMAFBZ-MJBXVCDLSA-N 2 1 363.428 0.749 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417091716 489641055 /nfs/dbraw/zinc/64/10/55/489641055.db2.gz KMENVEJIOLQTIO-IRXDYDNUSA-N 2 1 356.511 0.883 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417132080 489643205 /nfs/dbraw/zinc/64/32/05/489643205.db2.gz AGBSWUIQMBPZAK-INIZCTEOSA-N 2 1 362.478 0.435 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417132083 489643262 /nfs/dbraw/zinc/64/32/62/489643262.db2.gz AGBSWUIQMBPZAK-MRXNPFEDSA-N 2 1 362.478 0.435 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C[C@H](C)O1 ZINC000457571611 489649401 /nfs/dbraw/zinc/64/94/01/489649401.db2.gz HZHORSRDPYQJCH-IXDOHACOSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C[C@H](C)O1 ZINC000457571611 489649404 /nfs/dbraw/zinc/64/94/04/489649404.db2.gz HZHORSRDPYQJCH-IXDOHACOSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C[C@H](C)O1 ZINC000457571611 489649406 /nfs/dbraw/zinc/64/94/06/489649406.db2.gz HZHORSRDPYQJCH-IXDOHACOSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417360757 489649699 /nfs/dbraw/zinc/64/96/99/489649699.db2.gz BJODAFCNMFCROT-IRXDYDNUSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417363642 489649735 /nfs/dbraw/zinc/64/97/35/489649735.db2.gz AUPBRSUSPGMPMB-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570840036 491268817 /nfs/dbraw/zinc/26/88/17/491268817.db2.gz RMPDYDXUNRSDSY-WBAXXEDZSA-N 2 1 358.486 0.998 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417419658 489651667 /nfs/dbraw/zinc/65/16/67/489651667.db2.gz DGKXPMWGAYTAPA-HOTGVXAUSA-N 2 1 353.511 0.618 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000457614651 489651870 /nfs/dbraw/zinc/65/18/70/489651870.db2.gz XDTHZYQQFFKVMT-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCOCC1 ZINC000457614651 489651878 /nfs/dbraw/zinc/65/18/78/489651878.db2.gz XDTHZYQQFFKVMT-DLBZAZTESA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417432789 489652594 /nfs/dbraw/zinc/65/25/94/489652594.db2.gz UBDVAORIXLSELH-OAHLLOKOSA-N 2 1 353.511 0.890 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1=O ZINC000428543958 489652878 /nfs/dbraw/zinc/65/28/78/489652878.db2.gz IWBWCWZCPYSBOU-SJLPKXTDSA-N 2 1 374.485 0.602 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1=O ZINC000428543957 489653003 /nfs/dbraw/zinc/65/30/03/489653003.db2.gz IWBWCWZCPYSBOU-FUHWJXTLSA-N 2 1 374.485 0.602 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417433075 489653540 /nfs/dbraw/zinc/65/35/40/489653540.db2.gz UWSUKCIHBPNQGV-YVSFHVDLSA-N 2 1 365.522 0.698 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000417459454 489655141 /nfs/dbraw/zinc/65/51/41/489655141.db2.gz MSJOHFAWTDPQFY-PIIMJCKOSA-N 2 1 362.474 0.661 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000417497468 489656224 /nfs/dbraw/zinc/65/62/24/489656224.db2.gz BBTGARGSKRGLBL-QZTJIDSGSA-N 2 1 364.490 0.984 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481883 489656292 /nfs/dbraw/zinc/65/62/92/489656292.db2.gz IEAHMXUNRMZTCE-NVXWUHKLSA-N 2 1 365.522 0.761 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457822409 489658179 /nfs/dbraw/zinc/65/81/79/489658179.db2.gz WPBCMDSBPINRCN-UHFFFAOYSA-N 2 1 372.510 0.135 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457822409 489658184 /nfs/dbraw/zinc/65/81/84/489658184.db2.gz WPBCMDSBPINRCN-UHFFFAOYSA-N 2 1 372.510 0.135 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)C1 ZINC000417550571 489658543 /nfs/dbraw/zinc/65/85/43/489658543.db2.gz VSRBCOGUMCFPLP-ZWKOTPCHSA-N 2 1 373.501 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417582422 489658762 /nfs/dbraw/zinc/65/87/62/489658762.db2.gz IAUWCVFCIGADGA-HOTGVXAUSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417740569 489663281 /nfs/dbraw/zinc/66/32/81/489663281.db2.gz ZXQVJQQXYCLWDT-AEFFLSMTSA-N 2 1 361.490 0.566 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000417761486 489664625 /nfs/dbraw/zinc/66/46/25/489664625.db2.gz ZFAUYZSTGIIGFF-JHJVBQTASA-N 2 1 351.417 0.604 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417945815 489673317 /nfs/dbraw/zinc/67/33/17/489673317.db2.gz XXTPIGKNMOICCO-DLBZAZTESA-N 2 1 367.538 0.993 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458193288 489673347 /nfs/dbraw/zinc/67/33/47/489673347.db2.gz FPGCPXRHDCMVGD-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458193288 489673351 /nfs/dbraw/zinc/67/33/51/489673351.db2.gz FPGCPXRHDCMVGD-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458193288 489673354 /nfs/dbraw/zinc/67/33/54/489673354.db2.gz FPGCPXRHDCMVGD-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[N@H+](C)C1CC1 ZINC000458301763 489676369 /nfs/dbraw/zinc/67/63/69/489676369.db2.gz YGNFMYXLCRVREX-OAHLLOKOSA-N 2 1 354.495 0.650 20 0 FCADMP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[N@@H+](C)C1CC1 ZINC000458301763 489676370 /nfs/dbraw/zinc/67/63/70/489676370.db2.gz YGNFMYXLCRVREX-OAHLLOKOSA-N 2 1 354.495 0.650 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000458356053 489678535 /nfs/dbraw/zinc/67/85/35/489678535.db2.gz CZTMLOWWRIWMRH-HNNXBMFYSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000458433292 489682716 /nfs/dbraw/zinc/68/27/16/489682716.db2.gz IYGBASUTYMPXNW-IAGOWNOFSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433292 489682718 /nfs/dbraw/zinc/68/27/18/489682718.db2.gz IYGBASUTYMPXNW-IAGOWNOFSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000458433292 489682721 /nfs/dbraw/zinc/68/27/21/489682721.db2.gz IYGBASUTYMPXNW-IAGOWNOFSA-N 2 1 351.539 0.996 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418186957 489683603 /nfs/dbraw/zinc/68/36/03/489683603.db2.gz UUWMGAKRBOIILV-ZCRFILTFSA-N 2 1 365.522 0.981 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418193981 489684332 /nfs/dbraw/zinc/68/43/32/489684332.db2.gz DAOADYWSUYMTLM-QWHCGFSZSA-N 2 1 353.433 0.850 20 0 FCADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418207874 489685181 /nfs/dbraw/zinc/68/51/81/489685181.db2.gz VFNZAENKZKGFAP-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418207874 489685183 /nfs/dbraw/zinc/68/51/83/489685183.db2.gz VFNZAENKZKGFAP-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP C[N@H+](CCCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000418254843 489686257 /nfs/dbraw/zinc/68/62/57/489686257.db2.gz AKFLIDAMASPURP-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP C[N@@H+](CCCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000418254843 489686259 /nfs/dbraw/zinc/68/62/59/489686259.db2.gz AKFLIDAMASPURP-INIZCTEOSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@@H+](CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000488983098 489689618 /nfs/dbraw/zinc/68/96/18/489689618.db2.gz ZVACQPIOUWJRAV-UHFFFAOYSA-N 2 1 360.506 0.979 20 0 FCADMP CC[NH2+]CCNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418326134 489691839 /nfs/dbraw/zinc/69/18/39/489691839.db2.gz NFERTOXSNYDXJX-HOTGVXAUSA-N 2 1 356.511 0.896 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000570879995 491271683 /nfs/dbraw/zinc/27/16/83/491271683.db2.gz VZXZQEJFHMVKFT-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000570879995 491271684 /nfs/dbraw/zinc/27/16/84/491271684.db2.gz VZXZQEJFHMVKFT-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000570879995 491271685 /nfs/dbraw/zinc/27/16/85/491271685.db2.gz VZXZQEJFHMVKFT-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000418447864 489699025 /nfs/dbraw/zinc/69/90/25/489699025.db2.gz PXQQUFROVGNSQN-ROUUACIJSA-N 2 1 369.554 0.940 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418444525 489699363 /nfs/dbraw/zinc/69/93/63/489699363.db2.gz MKABYEIVSRDKFU-INIZCTEOSA-N 2 1 353.511 0.938 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418478018 489701235 /nfs/dbraw/zinc/70/12/35/489701235.db2.gz WGAZYMCVOFHAGO-PMPSAXMXSA-N 2 1 356.511 0.881 20 0 FCADMP CSC1(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC[NH+](C)CC1 ZINC000458788621 489703052 /nfs/dbraw/zinc/70/30/52/489703052.db2.gz LZJBEWDSHOKEQT-HNNXBMFYSA-N 2 1 358.552 0.960 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125998 489719864 /nfs/dbraw/zinc/71/98/64/489719864.db2.gz YKUBDBCJQHIPSX-XHSDSOJGSA-N 2 1 353.511 0.698 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000489608275 489720153 /nfs/dbraw/zinc/72/01/53/489720153.db2.gz UCNITYCHGFRXJH-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418768277 489724072 /nfs/dbraw/zinc/72/40/72/489724072.db2.gz RNPVRBLDLMGZGU-GOSISDBHSA-N 2 1 369.554 0.670 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000570928737 491274326 /nfs/dbraw/zinc/27/43/26/491274326.db2.gz NUQRROTYEBDMTB-SJORKVTESA-N 2 1 368.522 0.532 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789950 489727676 /nfs/dbraw/zinc/72/76/76/489727676.db2.gz MHMKNKLBSOWJMS-SJORKVTESA-N 3 1 355.527 0.422 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000489861909 489731576 /nfs/dbraw/zinc/73/15/76/489731576.db2.gz UEQBLJSKYDQDCG-CQSZACIVSA-N 2 1 354.476 0.866 20 0 FCADMP CC(C)[C@](C)([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(N)=O ZINC000459463710 489733189 /nfs/dbraw/zinc/73/31/89/489733189.db2.gz NARWMOUDKADVDL-SFHVURJKSA-N 2 1 368.522 0.627 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000563890897 491275547 /nfs/dbraw/zinc/27/55/47/491275547.db2.gz UNWRTXAJRWFJHQ-TWMKSMIVSA-N 2 1 358.490 0.573 20 0 FCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418828388 489741987 /nfs/dbraw/zinc/74/19/87/489741987.db2.gz HVPLIAZBZHKSBO-JKSUJKDBSA-N 2 1 366.506 0.524 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000418827764 489742690 /nfs/dbraw/zinc/74/26/90/489742690.db2.gz DYONQXFWFOIWDD-CQSZACIVSA-N 2 1 350.463 0.976 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000418830198 489743816 /nfs/dbraw/zinc/74/38/16/489743816.db2.gz FMZXCLSNIMBGSY-JXFKEZNVSA-N 2 1 374.485 0.626 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)C[C@@H](C)O1 ZINC000570958659 491276165 /nfs/dbraw/zinc/27/61/65/491276165.db2.gz JQQVOFZWSGRSBC-KFWWJZLASA-N 2 1 350.467 0.341 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC000459680251 489746588 /nfs/dbraw/zinc/74/65/88/489746588.db2.gz CTHBLFLEVNJNBC-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC000459680251 489746591 /nfs/dbraw/zinc/74/65/91/489746591.db2.gz CTHBLFLEVNJNBC-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC000459680251 489746593 /nfs/dbraw/zinc/74/65/93/489746593.db2.gz CTHBLFLEVNJNBC-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC000459680251 489746596 /nfs/dbraw/zinc/74/65/96/489746596.db2.gz CTHBLFLEVNJNBC-MOPGFXCFSA-N 2 1 361.486 0.314 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418837383 489748361 /nfs/dbraw/zinc/74/83/61/489748361.db2.gz SQPPLEKFDKUBIT-OAHLLOKOSA-N 2 1 354.495 0.252 20 0 FCADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000430578158 489748565 /nfs/dbraw/zinc/74/85/65/489748565.db2.gz DPKLXLORZNDXJA-ZDUSSCGKSA-N 2 1 368.503 0.983 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000430602854 489750252 /nfs/dbraw/zinc/75/02/52/489750252.db2.gz MDYAWSBSOLAMTD-HNNXBMFYSA-N 2 1 364.515 0.810 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430601681 489750353 /nfs/dbraw/zinc/75/03/53/489750353.db2.gz FAVGAWHHNLOFGO-ZDUSSCGKSA-N 2 1 362.430 0.531 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n(C(C)(C)C)n1 ZINC000430604422 489750504 /nfs/dbraw/zinc/75/05/04/489750504.db2.gz NDQHCMLJBZHXCJ-AWEZNQCLSA-N 2 1 364.494 0.672 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n(C(C)(C)C)n1 ZINC000430604422 489750510 /nfs/dbraw/zinc/75/05/10/489750510.db2.gz NDQHCMLJBZHXCJ-AWEZNQCLSA-N 2 1 364.494 0.672 20 0 FCADMP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600324 489750716 /nfs/dbraw/zinc/75/07/16/489750716.db2.gz HLVXVYYIGDZFCE-HIFRSBDPSA-N 2 1 364.515 0.808 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599854 489751241 /nfs/dbraw/zinc/75/12/41/489751241.db2.gz BKHNLJIWCVWBRA-YOEHRIQHSA-N 2 1 362.449 0.932 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000430599854 489751244 /nfs/dbraw/zinc/75/12/44/489751244.db2.gz BKHNLJIWCVWBRA-YOEHRIQHSA-N 2 1 362.449 0.932 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C[C@H](C)N1 ZINC000418842363 489752651 /nfs/dbraw/zinc/75/26/51/489752651.db2.gz ZVWUJWCTHZTNFR-JZXOWHBKSA-N 2 1 374.485 0.212 20 0 FCADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n2c1 ZINC000430614300 489753159 /nfs/dbraw/zinc/75/31/59/489753159.db2.gz XXWUCFGWZMVWSS-MRXNPFEDSA-N 2 1 369.469 0.647 20 0 FCADMP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611680 489753817 /nfs/dbraw/zinc/75/38/17/489753817.db2.gz PMWUFERAYNJDJI-HNNXBMFYSA-N 2 1 350.438 0.571 20 0 FCADMP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617446 489755387 /nfs/dbraw/zinc/75/53/87/489755387.db2.gz MSMGZZKFMAVGFD-GFCCVEGCSA-N 2 1 350.385 0.151 20 0 FCADMP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617446 489755392 /nfs/dbraw/zinc/75/53/92/489755392.db2.gz MSMGZZKFMAVGFD-GFCCVEGCSA-N 2 1 350.385 0.151 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000418851084 489756918 /nfs/dbraw/zinc/75/69/18/489756918.db2.gz PEEGRENIPVUHFS-GDBMZVCRSA-N 2 1 362.474 0.530 20 0 FCADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430629550 489757372 /nfs/dbraw/zinc/75/73/72/489757372.db2.gz OOPHOKNBKQZHAE-LSDHHAIUSA-N 2 1 365.478 1.267 20 0 FCADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635454 489758808 /nfs/dbraw/zinc/75/88/08/489758808.db2.gz HANDCIVYHYSPLE-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632628 489759386 /nfs/dbraw/zinc/75/93/86/489759386.db2.gz YEHPZHSWYWTDQP-ZIAGYGMSSA-N 2 1 367.494 0.320 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418855524 489759785 /nfs/dbraw/zinc/75/97/85/489759785.db2.gz UWMFMPRAOUNVOD-DZKIICNBSA-N 2 1 362.474 0.623 20 0 FCADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641195 489759845 /nfs/dbraw/zinc/75/98/45/489759845.db2.gz IHBGYGPVOVKCBM-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000418856684 489760734 /nfs/dbraw/zinc/76/07/34/489760734.db2.gz XFRHJRLXYUFAON-KXBFYZLASA-N 2 1 362.474 0.611 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000418860230 489761366 /nfs/dbraw/zinc/76/13/66/489761366.db2.gz LTILQQZVQOFQGK-RCCFBDPRSA-N 2 1 374.485 0.342 20 0 FCADMP C[NH2+][C@H]1CCN([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430643071 489761935 /nfs/dbraw/zinc/76/19/35/489761935.db2.gz LIKPSCLGGXNXTR-LPHOPBHVSA-N 2 1 360.502 0.817 20 0 FCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C2=O)n1 ZINC000430646609 489762331 /nfs/dbraw/zinc/76/23/31/489762331.db2.gz WRRVHUSWAGJSAE-HOTGVXAUSA-N 2 1 374.489 0.059 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430643588 489762397 /nfs/dbraw/zinc/76/23/97/489762397.db2.gz XIFFEBYDPGGVHU-VQBCORBOSA-N 2 1 362.518 0.858 20 0 FCADMP O=C([C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1)N1CC[NH2+]CC1 ZINC000430662785 489763242 /nfs/dbraw/zinc/76/32/42/489763242.db2.gz JACVHHQIILJHGA-FUHWJXTLSA-N 2 1 356.470 0.936 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663464 489763261 /nfs/dbraw/zinc/76/32/61/489763261.db2.gz JRPXROVLBJGORW-ZIAGYGMSSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000376630010 489763397 /nfs/dbraw/zinc/76/33/97/489763397.db2.gz UUFNCXLUWHLNGT-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671069 489764367 /nfs/dbraw/zinc/76/43/67/489764367.db2.gz XBQDUXGDXDGGIB-HUUCEWRRSA-N 2 1 367.494 0.001 20 0 FCADMP C[NH2+]CC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000430929007 489778286 /nfs/dbraw/zinc/77/82/86/489778286.db2.gz MPRJGWXXKUMLIX-UHFFFAOYSA-N 2 1 366.487 0.155 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430933353 489780029 /nfs/dbraw/zinc/78/00/29/489780029.db2.gz HXYRGFTXABJSJF-RWMBFGLXSA-N 2 1 354.476 0.180 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430933353 489780032 /nfs/dbraw/zinc/78/00/32/489780032.db2.gz HXYRGFTXABJSJF-RWMBFGLXSA-N 2 1 354.476 0.180 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430964982 489781881 /nfs/dbraw/zinc/78/18/81/489781881.db2.gz HDCVCXDLSSNHPD-LBPRGKRZSA-N 2 1 354.476 0.640 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000418900502 489782067 /nfs/dbraw/zinc/78/20/67/489782067.db2.gz DCIFSEBLBKCJDT-MLHJIOFPSA-N 2 1 374.485 0.513 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000431004140 489783888 /nfs/dbraw/zinc/78/38/88/489783888.db2.gz IDPXGAFBHYJEBO-QZTJIDSGSA-N 2 1 368.522 0.008 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418911151 489786795 /nfs/dbraw/zinc/78/67/95/489786795.db2.gz LDVJHIYDXVVWGL-OAHLLOKOSA-N 2 1 362.474 0.107 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418913027 489787974 /nfs/dbraw/zinc/78/79/74/489787974.db2.gz NHNDKEWXYDJPGW-GOSISDBHSA-N 2 1 374.485 0.393 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000418917850 489790775 /nfs/dbraw/zinc/79/07/75/489790775.db2.gz IJPJXHOJWHNEAV-HZPDHXFCSA-N 2 1 354.495 0.047 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418924834 489793074 /nfs/dbraw/zinc/79/30/74/489793074.db2.gz PNTCEYAOSYSXQK-HZPDHXFCSA-N 2 1 354.495 0.093 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000418926985 489793111 /nfs/dbraw/zinc/79/31/11/489793111.db2.gz SFIGYCYFQTYXBK-KRWDZBQOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000459925089 489796705 /nfs/dbraw/zinc/79/67/05/489796705.db2.gz UBZWUGUIZGXBHO-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418942235 489798367 /nfs/dbraw/zinc/79/83/67/489798367.db2.gz ASEKDJQJENSZHO-VDNDLQMASA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000418970103 489807647 /nfs/dbraw/zinc/80/76/47/489807647.db2.gz WCHDMDIFSBTAKO-LNCBFAARSA-N 2 1 362.449 0.678 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419020434 489820918 /nfs/dbraw/zinc/82/09/18/489820918.db2.gz FTZPYEFDYBSUBD-HUUCEWRRSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419023058 489821324 /nfs/dbraw/zinc/82/13/24/489821324.db2.gz IZFHBDGRLQBCBZ-NPJQDHAYSA-N 2 1 368.522 0.698 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419023162 489821528 /nfs/dbraw/zinc/82/15/28/489821528.db2.gz JFJVFYPTBLZTRB-QEOTZNIISA-N 2 1 352.523 0.973 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000419023534 489821843 /nfs/dbraw/zinc/82/18/43/489821843.db2.gz JWPKZXAMWGCZFA-IAQYHMDHSA-N 2 1 359.405 0.742 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000419026209 489823216 /nfs/dbraw/zinc/82/32/16/489823216.db2.gz MXPKXUDIRIDOHH-CQSZACIVSA-N 2 1 359.405 0.804 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419028862 489824303 /nfs/dbraw/zinc/82/43/03/489824303.db2.gz QPWFEBBESWOXSF-ZNMIVQPWSA-N 2 1 354.495 0.045 20 0 FCADMP CCn1ncnc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000475419325 489825384 /nfs/dbraw/zinc/82/53/84/489825384.db2.gz FGKJOGRKADYXSW-OAHLLOKOSA-N 2 1 351.499 0.856 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419034018 489827402 /nfs/dbraw/zinc/82/74/02/489827402.db2.gz YYECRCSKLMMUCB-ALYAQQCSSA-N 2 1 352.523 0.912 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419046336 489833035 /nfs/dbraw/zinc/83/30/35/489833035.db2.gz PRDZBCMMBVANLY-OIISXLGYSA-N 2 1 360.458 0.043 20 0 FCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000460053442 489833874 /nfs/dbraw/zinc/83/38/74/489833874.db2.gz FUBZZJPDZRMLFZ-OAHLLOKOSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049116 489835392 /nfs/dbraw/zinc/83/53/92/489835392.db2.gz WWRMSDXQDMUFCZ-TZMCWYRMSA-N 2 1 354.401 0.648 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000419049116 489835394 /nfs/dbraw/zinc/83/53/94/489835394.db2.gz WWRMSDXQDMUFCZ-TZMCWYRMSA-N 2 1 354.401 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)CC2)CCO1 ZINC000460058231 489837104 /nfs/dbraw/zinc/83/71/04/489837104.db2.gz QTVNETSFXLCAAZ-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419065351 489841556 /nfs/dbraw/zinc/84/15/56/489841556.db2.gz DEHMJOJRAWRPOU-LSDHHAIUSA-N 2 1 362.474 0.235 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419065351 489841561 /nfs/dbraw/zinc/84/15/61/489841561.db2.gz DEHMJOJRAWRPOU-LSDHHAIUSA-N 2 1 362.474 0.235 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419070953 489844352 /nfs/dbraw/zinc/84/43/52/489844352.db2.gz KXJJQWLXKNRVNJ-OAHLLOKOSA-N 2 1 362.474 0.249 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419070953 489844353 /nfs/dbraw/zinc/84/43/53/489844353.db2.gz KXJJQWLXKNRVNJ-OAHLLOKOSA-N 2 1 362.474 0.249 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460082169 489847586 /nfs/dbraw/zinc/84/75/86/489847586.db2.gz ZVAOGUJHVSSPNQ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419080523 489848306 /nfs/dbraw/zinc/84/83/06/489848306.db2.gz XFGLUKZPOZTZDE-HNNXBMFYSA-N 2 1 362.474 0.249 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419080523 489848313 /nfs/dbraw/zinc/84/83/13/489848313.db2.gz XFGLUKZPOZTZDE-HNNXBMFYSA-N 2 1 362.474 0.249 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)c2)CCO1 ZINC000419078049 489848507 /nfs/dbraw/zinc/84/85/07/489848507.db2.gz SKPMGMYVRHWUCQ-INIZCTEOSA-N 2 1 374.485 0.345 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)c2)CCO1 ZINC000419078049 489848511 /nfs/dbraw/zinc/84/85/11/489848511.db2.gz SKPMGMYVRHWUCQ-INIZCTEOSA-N 2 1 374.485 0.345 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419080887 489848867 /nfs/dbraw/zinc/84/88/67/489848867.db2.gz QMWKTKZWIARYBR-MWDXBVQZSA-N 2 1 350.507 0.871 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000419081534 489849644 /nfs/dbraw/zinc/84/96/44/489849644.db2.gz ICHQVDZTJZIUQA-KFWWJZLASA-N 2 1 354.495 0.330 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081498 489849664 /nfs/dbraw/zinc/84/96/64/489849664.db2.gz YUIFINGFMRYMKQ-KSSFIOAISA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081498 489849665 /nfs/dbraw/zinc/84/96/65/489849665.db2.gz YUIFINGFMRYMKQ-KSSFIOAISA-N 2 1 374.485 0.377 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086985 489851247 /nfs/dbraw/zinc/85/12/47/489851247.db2.gz OYXJRBRUPUXHTI-QLFBSQMISA-N 2 1 356.511 0.624 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419086985 489851250 /nfs/dbraw/zinc/85/12/50/489851250.db2.gz OYXJRBRUPUXHTI-QLFBSQMISA-N 2 1 356.511 0.624 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419088245 489851332 /nfs/dbraw/zinc/85/13/32/489851332.db2.gz BEIVTHRVYUXPON-AWEZNQCLSA-N 2 1 372.391 0.732 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419088245 489851333 /nfs/dbraw/zinc/85/13/33/489851333.db2.gz BEIVTHRVYUXPON-AWEZNQCLSA-N 2 1 372.391 0.732 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419086960 489851469 /nfs/dbraw/zinc/85/14/69/489851469.db2.gz OUXQPCLNIFCNKV-WCVJEAGWSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000419089960 489852192 /nfs/dbraw/zinc/85/21/92/489852192.db2.gz URUABXLMOYJUSG-KFWWJZLASA-N 2 1 354.495 0.106 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419094012 489853077 /nfs/dbraw/zinc/85/30/77/489853077.db2.gz ZARPNUWCEZQQRD-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419092960 489853456 /nfs/dbraw/zinc/85/34/56/489853456.db2.gz IKHBPVVXONJOMS-ZDUSSCGKSA-N 2 1 358.364 0.471 20 0 FCADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419092960 489853461 /nfs/dbraw/zinc/85/34/61/489853461.db2.gz IKHBPVVXONJOMS-ZDUSSCGKSA-N 2 1 358.364 0.471 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419099491 489855269 /nfs/dbraw/zinc/85/52/69/489855269.db2.gz DUXCCGXVTRWJJC-IRXDYDNUSA-N 2 1 358.486 0.881 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261783 489859299 /nfs/dbraw/zinc/85/92/99/489859299.db2.gz RQJXEAHFOBLYRW-AZUAARDMSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261783 489859304 /nfs/dbraw/zinc/85/93/04/489859304.db2.gz RQJXEAHFOBLYRW-AZUAARDMSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261783 489859309 /nfs/dbraw/zinc/85/93/09/489859309.db2.gz RQJXEAHFOBLYRW-AZUAARDMSA-N 2 1 360.502 0.917 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000419111534 489860082 /nfs/dbraw/zinc/86/00/82/489860082.db2.gz DKCQFDGVPVBPPJ-JCYILVPMSA-N 2 1 368.522 0.626 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419112976 489860726 /nfs/dbraw/zinc/86/07/26/489860726.db2.gz GITASSHVUOBQIH-ZACQAIPSSA-N 2 1 368.522 0.626 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000419113448 489860778 /nfs/dbraw/zinc/86/07/78/489860778.db2.gz GWKXOJUYTPBISK-HOTGVXAUSA-N 2 1 354.495 0.093 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000460277981 489862054 /nfs/dbraw/zinc/86/20/54/489862054.db2.gz UKXIAHHZDYNHFD-NUJGCVRESA-N 2 1 354.495 0.120 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419116860 489862959 /nfs/dbraw/zinc/86/29/59/489862959.db2.gz LQMAUXYZJXSBKR-HOTGVXAUSA-N 2 1 354.495 0.108 20 0 FCADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000460336675 489863157 /nfs/dbraw/zinc/86/31/57/489863157.db2.gz UZWDYAXBWZRKGV-SFHVURJKSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419119455 489864106 /nfs/dbraw/zinc/86/41/06/489864106.db2.gz JVYNHBATMRVRFC-FUHWJXTLSA-N 2 1 373.501 0.935 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419120164 489865408 /nfs/dbraw/zinc/86/54/08/489865408.db2.gz PTTWHOXBNCUUET-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000419123420 489867028 /nfs/dbraw/zinc/86/70/28/489867028.db2.gz VWJVOMXFSQMLDX-INIZCTEOSA-N 2 1 354.495 0.189 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166971 489869792 /nfs/dbraw/zinc/86/97/92/489869792.db2.gz YYMBTXXRYDSTGT-QGZVFWFLSA-N 3 1 353.555 0.580 20 0 FCADMP COc1ccnc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)c1 ZINC000433176288 489870939 /nfs/dbraw/zinc/87/09/39/489870939.db2.gz OFTKCBBIISMOGG-UHFFFAOYSA-N 2 1 361.490 0.942 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420020111 489882159 /nfs/dbraw/zinc/88/21/59/489882159.db2.gz RPNLTZIILOCIAN-NVXWUHKLSA-N 2 1 367.538 0.105 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420020111 489882162 /nfs/dbraw/zinc/88/21/62/489882162.db2.gz RPNLTZIILOCIAN-NVXWUHKLSA-N 2 1 367.538 0.105 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433420888 489882368 /nfs/dbraw/zinc/88/23/68/489882368.db2.gz GZHQMYHGRDRXHR-CABCVRRESA-N 2 1 350.467 0.289 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019203 489882435 /nfs/dbraw/zinc/88/24/35/489882435.db2.gz ZXDAUMISLZTCQQ-OIISXLGYSA-N 2 1 367.538 0.245 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420039853 489889810 /nfs/dbraw/zinc/88/98/10/489889810.db2.gz OGZFDBIHTZOHAD-HLLBOEOZSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420057884 489896557 /nfs/dbraw/zinc/89/65/57/489896557.db2.gz HYRZIDVRWUYAAZ-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC1 ZINC000420063666 489899084 /nfs/dbraw/zinc/89/90/84/489899084.db2.gz NORJKFRTGUGANR-OAHLLOKOSA-N 2 1 350.488 0.288 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000461524297 489916125 /nfs/dbraw/zinc/91/61/25/489916125.db2.gz QNTPLKHGMBSNPJ-OAHLLOKOSA-N 2 1 365.478 0.230 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000461524296 489916415 /nfs/dbraw/zinc/91/64/15/489916415.db2.gz QNTPLKHGMBSNPJ-HNNXBMFYSA-N 2 1 365.478 0.230 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420126514 489922037 /nfs/dbraw/zinc/92/20/37/489922037.db2.gz OHCLEFQVLDRHKO-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C2)CC1 ZINC000420152343 489933418 /nfs/dbraw/zinc/93/34/18/489933418.db2.gz OQGNJDKOKLBOKP-AWEZNQCLSA-N 2 1 360.449 0.667 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000420156284 489935149 /nfs/dbraw/zinc/93/51/49/489935149.db2.gz FKCQYRTZUIHUCL-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000420156284 489935150 /nfs/dbraw/zinc/93/51/50/489935150.db2.gz FKCQYRTZUIHUCL-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420174803 489940587 /nfs/dbraw/zinc/94/05/87/489940587.db2.gz ZFTKWSRWWKEQEX-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420174803 489940590 /nfs/dbraw/zinc/94/05/90/489940590.db2.gz ZFTKWSRWWKEQEX-CVEARBPZSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000420198455 489949215 /nfs/dbraw/zinc/94/92/15/489949215.db2.gz CKFBDMHFCWAOOE-WRQOLXDDSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H](CN1CCOCC1)[NH+](C)CCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709286 489951206 /nfs/dbraw/zinc/95/12/06/489951206.db2.gz FUOSAYMYVMEEFF-OALUTQOASA-N 2 1 356.555 0.682 20 0 FCADMP C[C@@H](CN1CCOCC1)[NH+](C)CCC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709286 489951209 /nfs/dbraw/zinc/95/12/09/489951209.db2.gz FUOSAYMYVMEEFF-OALUTQOASA-N 2 1 356.555 0.682 20 0 FCADMP O=C1C[NH2+]CCN1[C@H]1CCCN([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307356 489961335 /nfs/dbraw/zinc/96/13/35/489961335.db2.gz LYJYCUDTNXRSII-STQMWFEESA-N 2 1 362.396 0.436 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000420302331 489961622 /nfs/dbraw/zinc/96/16/22/489961622.db2.gz FSSMSLRALQMWEG-SFHVURJKSA-N 2 1 351.539 0.299 20 0 FCADMP O=C1C[NH2+]CCN1[C@@H]1CCCN([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307353 489961878 /nfs/dbraw/zinc/96/18/78/489961878.db2.gz LYJYCUDTNXRSII-OLZOCXBDSA-N 2 1 362.396 0.436 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867506 489963127 /nfs/dbraw/zinc/96/31/27/489963127.db2.gz FDILKAKBEJKWEW-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349273 489966496 /nfs/dbraw/zinc/96/64/96/489966496.db2.gz OHTCLWGNUGFTGJ-SFHVURJKSA-N 2 1 360.502 0.860 20 0 FCADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349273 489966501 /nfs/dbraw/zinc/96/65/01/489966501.db2.gz OHTCLWGNUGFTGJ-SFHVURJKSA-N 2 1 360.502 0.860 20 0 FCADMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C(=O)OC ZINC000420377494 489970005 /nfs/dbraw/zinc/97/00/05/489970005.db2.gz LDBMMGNXUVUIBH-IKICRFKJSA-N 2 1 369.506 0.909 20 0 FCADMP [NH3+]CC1(O)CC[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000420402375 489971718 /nfs/dbraw/zinc/97/17/18/489971718.db2.gz IHFNNZJVQMKNSY-UHFFFAOYSA-N 2 1 361.364 0.987 20 0 FCADMP CS(=O)(=O)CC1CCC([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000556076442 491292121 /nfs/dbraw/zinc/29/21/21/491292121.db2.gz MQWQPKITCOACIG-PCKAHOCUSA-N 2 1 359.536 0.767 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000377931440 489981639 /nfs/dbraw/zinc/98/16/39/489981639.db2.gz JGKBXAFQVZFIFM-KURKYZTESA-N 2 1 368.522 0.992 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000377929752 489981825 /nfs/dbraw/zinc/98/18/25/489981825.db2.gz AVMBLAIWRZADER-INIZCTEOSA-N 2 1 359.474 0.521 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000477651017 489982193 /nfs/dbraw/zinc/98/21/93/489982193.db2.gz IADVDCOYFFJRSP-UHFFFAOYSA-N 2 1 365.478 0.267 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000477655398 489982920 /nfs/dbraw/zinc/98/29/20/489982920.db2.gz XIFMLNXZTDMGNY-INIZCTEOSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477683517 489984485 /nfs/dbraw/zinc/98/44/85/489984485.db2.gz OQPWHOGVVPOIOO-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000477698170 489985817 /nfs/dbraw/zinc/98/58/17/489985817.db2.gz FYYKERZDISMZMM-UHFFFAOYSA-N 2 1 354.495 0.204 20 0 FCADMP CNS(=O)(=O)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378052285 490002160 /nfs/dbraw/zinc/00/21/60/490002160.db2.gz DAXKLDRSRTVEFJ-UHFFFAOYSA-N 2 1 374.551 0.190 20 0 FCADMP CC(C)[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CCOCC1 ZINC000436488683 490007215 /nfs/dbraw/zinc/00/72/15/490007215.db2.gz NFALJTABTHLZGK-OAHLLOKOSA-N 2 1 352.483 0.923 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H](C)[N@H+]1C ZINC000436797271 490012797 /nfs/dbraw/zinc/01/27/97/490012797.db2.gz ZTTWOTMKOVRWQY-OKILXGFUSA-N 2 1 362.478 0.639 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H](C)[N@@H+]1C ZINC000436797271 490012800 /nfs/dbraw/zinc/01/28/00/490012800.db2.gz ZTTWOTMKOVRWQY-OKILXGFUSA-N 2 1 362.478 0.639 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000420802303 490023207 /nfs/dbraw/zinc/02/32/07/490023207.db2.gz RQJVMBOMJPEFKW-FHERZECASA-N 2 1 353.511 0.746 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420853679 490026069 /nfs/dbraw/zinc/02/60/69/490026069.db2.gz DSVGNLAOYBNSIC-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420853679 490026071 /nfs/dbraw/zinc/02/60/71/490026071.db2.gz DSVGNLAOYBNSIC-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420853679 490026074 /nfs/dbraw/zinc/02/60/74/490026074.db2.gz DSVGNLAOYBNSIC-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000420897323 490029762 /nfs/dbraw/zinc/02/97/62/490029762.db2.gz CJHNNAAAADHIIE-IAGOWNOFSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000420897323 490029765 /nfs/dbraw/zinc/02/97/65/490029765.db2.gz CJHNNAAAADHIIE-IAGOWNOFSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000420897323 490029767 /nfs/dbraw/zinc/02/97/67/490029767.db2.gz CJHNNAAAADHIIE-IAGOWNOFSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000420904514 490031221 /nfs/dbraw/zinc/03/12/21/490031221.db2.gz PXPYTFKDDSAMEI-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000420904514 490031228 /nfs/dbraw/zinc/03/12/28/490031228.db2.gz PXPYTFKDDSAMEI-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000420904514 490031233 /nfs/dbraw/zinc/03/12/33/490031233.db2.gz PXPYTFKDDSAMEI-IAGOWNOFSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438705143 490036750 /nfs/dbraw/zinc/03/67/50/490036750.db2.gz FTLNNCVPPNJIGP-OAHLLOKOSA-N 2 1 352.483 0.923 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420985568 490040077 /nfs/dbraw/zinc/04/00/77/490040077.db2.gz WIBVTAPXSNLDNV-UHFFFAOYSA-N 2 1 365.566 0.643 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000420985568 490040084 /nfs/dbraw/zinc/04/00/84/490040084.db2.gz WIBVTAPXSNLDNV-UHFFFAOYSA-N 3 1 365.566 0.643 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000420985568 490040087 /nfs/dbraw/zinc/04/00/87/490040087.db2.gz WIBVTAPXSNLDNV-UHFFFAOYSA-N 3 1 365.566 0.643 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000556113783 491295863 /nfs/dbraw/zinc/29/58/63/491295863.db2.gz VQMXDCPWHVSEFU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000556113783 491295865 /nfs/dbraw/zinc/29/58/65/491295865.db2.gz VQMXDCPWHVSEFU-JKSUJKDBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000556122368 491296371 /nfs/dbraw/zinc/29/63/71/491296371.db2.gz CXTXYSJQWBZPIW-HZPDHXFCSA-N 2 1 370.563 0.636 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000479080837 490064819 /nfs/dbraw/zinc/06/48/19/490064819.db2.gz VLQVWIGUNIBDGL-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000479080837 490064823 /nfs/dbraw/zinc/06/48/23/490064823.db2.gz VLQVWIGUNIBDGL-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443061172 490066046 /nfs/dbraw/zinc/06/60/46/490066046.db2.gz RAQCYZOLSZBZBW-MRXNPFEDSA-N 2 1 367.538 0.106 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000519785876 490083804 /nfs/dbraw/zinc/08/38/04/490083804.db2.gz DXLBJNLAHNFGMW-HNNXBMFYSA-N 2 1 350.507 0.943 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000564309287 491299293 /nfs/dbraw/zinc/29/92/93/491299293.db2.gz AFRDSBZCYHFUCV-IAGOWNOFSA-N 2 1 364.515 0.973 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000564309287 491299295 /nfs/dbraw/zinc/29/92/95/491299295.db2.gz AFRDSBZCYHFUCV-IAGOWNOFSA-N 2 1 364.515 0.973 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748548 490141578 /nfs/dbraw/zinc/14/15/78/490141578.db2.gz UBZSVZKPZPCNKY-INIZCTEOSA-N 2 1 355.527 0.912 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852913 490146377 /nfs/dbraw/zinc/14/63/77/490146377.db2.gz XTRXHPDICZKTMQ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852913 490146383 /nfs/dbraw/zinc/14/63/83/490146383.db2.gz XTRXHPDICZKTMQ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000465852913 490146391 /nfs/dbraw/zinc/14/63/91/490146391.db2.gz XTRXHPDICZKTMQ-JKSUJKDBSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000556205410 491303104 /nfs/dbraw/zinc/30/31/04/491303104.db2.gz OWICLGHWSSVPHA-YOEHRIQHSA-N 2 1 356.536 0.388 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950509 490155074 /nfs/dbraw/zinc/15/50/74/490155074.db2.gz OVHHTSFXZKVBGV-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947314 490156659 /nfs/dbraw/zinc/15/66/59/490156659.db2.gz GOAXCXGRZZLJBO-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947314 490156663 /nfs/dbraw/zinc/15/66/63/490156663.db2.gz GOAXCXGRZZLJBO-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000465947314 490156667 /nfs/dbraw/zinc/15/66/67/490156667.db2.gz GOAXCXGRZZLJBO-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000465963169 490157790 /nfs/dbraw/zinc/15/77/90/490157790.db2.gz YHRQDYVQCUMRSL-HNNXBMFYSA-N 2 1 351.495 0.454 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000465963173 490157988 /nfs/dbraw/zinc/15/79/88/490157988.db2.gz YHRQDYVQCUMRSL-OAHLLOKOSA-N 2 1 351.495 0.454 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000466033509 490160688 /nfs/dbraw/zinc/16/06/88/490160688.db2.gz LDWJCNNWGCVCLO-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000545885428 490162757 /nfs/dbraw/zinc/16/27/57/490162757.db2.gz ZQLUGRUHKQMGRE-LJQANCHMSA-N 2 1 368.522 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@H](C)[N@@H+]1C ZINC000571397856 491304757 /nfs/dbraw/zinc/30/47/57/491304757.db2.gz HDXAQSAJZAGQGO-IYBDPMFKSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000422130570 490181652 /nfs/dbraw/zinc/18/16/52/490181652.db2.gz GPZAWFSYAFYQRS-INIZCTEOSA-N 2 1 361.490 0.754 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000422130570 490181659 /nfs/dbraw/zinc/18/16/59/490181659.db2.gz GPZAWFSYAFYQRS-INIZCTEOSA-N 2 1 361.490 0.754 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556246066 491305750 /nfs/dbraw/zinc/30/57/50/491305750.db2.gz RAKWOFBGMSWJBB-OAHLLOKOSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556249407 491306181 /nfs/dbraw/zinc/30/61/81/491306181.db2.gz ODLAJWYIJDAUNG-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556249407 491306182 /nfs/dbraw/zinc/30/61/82/491306182.db2.gz ODLAJWYIJDAUNG-QGZVFWFLSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564431190 491306497 /nfs/dbraw/zinc/30/64/97/491306497.db2.gz VFAYTQZASQOXCW-GOSISDBHSA-N 2 1 373.501 0.724 20 0 FCADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000533314285 490212658 /nfs/dbraw/zinc/21/26/58/490212658.db2.gz VCVLSOQBFZEOCK-HXUWFJFHSA-N 2 1 369.469 0.706 20 0 FCADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000533314285 490212661 /nfs/dbraw/zinc/21/26/61/490212661.db2.gz VCVLSOQBFZEOCK-HXUWFJFHSA-N 2 1 369.469 0.706 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCOC ZINC000521059730 490221151 /nfs/dbraw/zinc/22/11/51/490221151.db2.gz HJUYGJAGBWORCR-HNNXBMFYSA-N 2 1 350.529 0.157 20 0 FCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000521075053 490221998 /nfs/dbraw/zinc/22/19/98/490221998.db2.gz NRFAYVCYODMCMK-VQIMIIECSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000521075050 490222401 /nfs/dbraw/zinc/22/24/01/490222401.db2.gz NRFAYVCYODMCMK-APWZRJJASA-N 2 1 368.522 0.452 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000422280531 490225533 /nfs/dbraw/zinc/22/55/33/490225533.db2.gz HTPVUPVNWQYWRN-UHFFFAOYSA-N 2 1 363.487 0.960 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000521273828 490244153 /nfs/dbraw/zinc/24/41/53/490244153.db2.gz IEQDTCNEIWSYQF-MOPGFXCFSA-N 2 1 372.513 0.878 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000571497950 491311683 /nfs/dbraw/zinc/31/16/83/491311683.db2.gz TWSDWSYJEYOLQE-NSHGMRRFSA-N 2 1 374.529 0.889 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000521515898 490271075 /nfs/dbraw/zinc/27/10/75/490271075.db2.gz KPCKGZSUEPHWHS-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000521515898 490271081 /nfs/dbraw/zinc/27/10/81/490271081.db2.gz KPCKGZSUEPHWHS-LSDHHAIUSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])CC(F)F)c2)CC1 ZINC000498202071 490271180 /nfs/dbraw/zinc/27/11/80/490271180.db2.gz RYVOGYFGMMJCMM-CQSZACIVSA-N 2 1 354.401 0.924 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000422370339 490282253 /nfs/dbraw/zinc/28/22/53/490282253.db2.gz UHSBFGDGLHMUIF-GOSISDBHSA-N 2 1 373.501 0.967 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422374009 490285904 /nfs/dbraw/zinc/28/59/04/490285904.db2.gz CEEMCSMASCWNIE-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000422374009 490285913 /nfs/dbraw/zinc/28/59/13/490285913.db2.gz CEEMCSMASCWNIE-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000422374009 490285922 /nfs/dbraw/zinc/28/59/22/490285922.db2.gz CEEMCSMASCWNIE-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)CCOc1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000521677060 490291745 /nfs/dbraw/zinc/29/17/45/490291745.db2.gz HKRGBMAZXUTHNG-MRXNPFEDSA-N 2 1 362.474 0.697 20 0 FCADMP O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000447913011 490292366 /nfs/dbraw/zinc/29/23/66/490292366.db2.gz LNXORHLJLJMHOU-IAGOWNOFSA-N 2 1 369.506 0.267 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000483426928 490316800 /nfs/dbraw/zinc/31/68/00/490316800.db2.gz ASFASAJXRVDKMH-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000483426928 490316807 /nfs/dbraw/zinc/31/68/07/490316807.db2.gz ASFASAJXRVDKMH-PMPSAXMXSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000408437196 490336105 /nfs/dbraw/zinc/33/61/05/490336105.db2.gz QNUYNQMZNNUTKQ-ZBFHGGJFSA-N 2 1 353.511 0.521 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000408437196 490336110 /nfs/dbraw/zinc/33/61/10/490336110.db2.gz QNUYNQMZNNUTKQ-ZBFHGGJFSA-N 2 1 353.511 0.521 20 0 FCADMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000498844441 490352054 /nfs/dbraw/zinc/35/20/54/490352054.db2.gz OPGSNQNIWUJGAH-KRWDZBQOSA-N 2 1 350.507 0.849 20 0 FCADMP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000498844441 490352056 /nfs/dbraw/zinc/35/20/56/490352056.db2.gz OPGSNQNIWUJGAH-KRWDZBQOSA-N 2 1 350.507 0.849 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000498844441 490352060 /nfs/dbraw/zinc/35/20/60/490352060.db2.gz OPGSNQNIWUJGAH-KRWDZBQOSA-N 2 1 350.507 0.849 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000422497014 490361570 /nfs/dbraw/zinc/36/15/70/490361570.db2.gz UYLXPNDSBULAGX-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCN(C(C)=O)C3)CC2)CC1 ZINC000571654930 491321127 /nfs/dbraw/zinc/32/11/27/491321127.db2.gz UHZZKZKNAZZUFF-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410992955 490376707 /nfs/dbraw/zinc/37/67/07/490376707.db2.gz XXKNIQSDSWWQGD-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571659617 491321820 /nfs/dbraw/zinc/32/18/20/491321820.db2.gz KSUMLJQHUAIZFG-JQHSSLGASA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571659617 491321822 /nfs/dbraw/zinc/32/18/22/491321822.db2.gz KSUMLJQHUAIZFG-JQHSSLGASA-N 2 1 374.485 0.260 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522442613 490379130 /nfs/dbraw/zinc/37/91/30/490379130.db2.gz VATKRQRATTZPNI-KRWDZBQOSA-N 2 1 367.538 0.912 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411254501 490415618 /nfs/dbraw/zinc/41/56/18/490415618.db2.gz NMVJEFKMERTXTI-KRWDZBQOSA-N 2 1 362.474 0.832 20 0 FCADMP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)N1CCN(Cc2ccsc2)CC1 ZINC000548076796 490416325 /nfs/dbraw/zinc/41/63/25/490416325.db2.gz JIMMYKBHVRBDLJ-KRWDZBQOSA-N 2 1 367.515 0.866 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000522982805 490425399 /nfs/dbraw/zinc/42/53/99/490425399.db2.gz GERBRNCSQNPOCH-INIZCTEOSA-N 2 1 369.510 0.126 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210429 490448541 /nfs/dbraw/zinc/44/85/41/490448541.db2.gz ZEQABIPVQIVJFW-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210429 490448546 /nfs/dbraw/zinc/44/85/46/490448546.db2.gz ZEQABIPVQIVJFW-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210429 490448548 /nfs/dbraw/zinc/44/85/48/490448548.db2.gz ZEQABIPVQIVJFW-IAGOWNOFSA-N 2 1 367.538 0.959 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000509715808 490455230 /nfs/dbraw/zinc/45/52/30/490455230.db2.gz PFCQLORMXGJBBM-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535097783 490456580 /nfs/dbraw/zinc/45/65/80/490456580.db2.gz YFNBQJMJSNAZIP-HZPDHXFCSA-N 2 1 359.536 0.827 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746098 490469283 /nfs/dbraw/zinc/46/92/83/490469283.db2.gz VYWIRRLMIOYOSS-HOTGVXAUSA-N 3 1 368.522 0.485 20 0 FCADMP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000422746098 490469288 /nfs/dbraw/zinc/46/92/88/490469288.db2.gz VYWIRRLMIOYOSS-HOTGVXAUSA-N 2 1 368.522 0.485 20 0 FCADMP C[NH+]1CC[C@H]2CN(c3cc(N4C[C@H]5CC[N@H+](C)[C@H]5C4)nc4ncnn43)C[C@H]21 ZINC000450777540 490488598 /nfs/dbraw/zinc/48/85/98/490488598.db2.gz KBHDAJCEZNJDCG-FXUDXRNXSA-N 2 1 368.489 0.405 20 0 FCADMP C[NH+]1CC[C@@H]2CN(c3cc(N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)n4ncnc4n3)C[C@@H]21 ZINC000450777540 490488604 /nfs/dbraw/zinc/48/86/04/490488604.db2.gz KBHDAJCEZNJDCG-FXUDXRNXSA-N 2 1 368.489 0.405 20 0 FCADMP C[NH+]1CC[C@@H]2CN(c3cc(N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)n4ncnc4n3)C[C@@H]21 ZINC000450777540 490488611 /nfs/dbraw/zinc/48/86/11/490488611.db2.gz KBHDAJCEZNJDCG-FXUDXRNXSA-N 2 1 368.489 0.405 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000523776746 490496132 /nfs/dbraw/zinc/49/61/32/490496132.db2.gz PHKPEVCJLHBNGT-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394140 490511037 /nfs/dbraw/zinc/51/10/37/490511037.db2.gz OOLDISZJUHCXSH-HOTGVXAUSA-N 2 1 355.527 0.109 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+](C)C1 ZINC000413907912 490512003 /nfs/dbraw/zinc/51/20/03/490512003.db2.gz TZTZITDHYJPUIY-INIZCTEOSA-N 2 1 367.490 0.585 20 0 FCADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000423000173 490514145 /nfs/dbraw/zinc/51/41/45/490514145.db2.gz YWFGPBPQKWMTKX-HOCLYGCPSA-N 2 1 355.504 0.777 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423014439 490519820 /nfs/dbraw/zinc/51/98/20/490519820.db2.gz OZZKMEDRJCIWSC-MRXNPFEDSA-N 2 1 366.506 0.001 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423033754 490525950 /nfs/dbraw/zinc/52/59/50/490525950.db2.gz GTHOUPYSMHFRBR-WMZOPIPTSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000564883547 491333583 /nfs/dbraw/zinc/33/35/83/491333583.db2.gz BACYWNPJKSXNHK-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423055545 490531560 /nfs/dbraw/zinc/53/15/60/490531560.db2.gz DDYZQNAPINWTQD-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH+]1CCN(CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524390678 490534703 /nfs/dbraw/zinc/53/47/03/490534703.db2.gz BKDHDZOENDCZOW-HXUWFJFHSA-N 2 1 360.502 0.377 20 0 FCADMP CN1CC[NH+](CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524390678 490534711 /nfs/dbraw/zinc/53/47/11/490534711.db2.gz BKDHDZOENDCZOW-HXUWFJFHSA-N 2 1 360.502 0.377 20 0 FCADMP CN1CC[NH+](CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524390678 490534718 /nfs/dbraw/zinc/53/47/18/490534718.db2.gz BKDHDZOENDCZOW-HXUWFJFHSA-N 2 1 360.502 0.377 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)CC1 ZINC000524481114 490541130 /nfs/dbraw/zinc/54/11/30/490541130.db2.gz JSYKZYNFFVSJOC-MRXNPFEDSA-N 2 1 355.479 0.631 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC(=O)OC)C[C@H]2CCCO2)CC1 ZINC000524481114 490541133 /nfs/dbraw/zinc/54/11/33/490541133.db2.gz JSYKZYNFFVSJOC-MRXNPFEDSA-N 2 1 355.479 0.631 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000548800210 490542642 /nfs/dbraw/zinc/54/26/42/490542642.db2.gz IJCBDKDDMNBUNL-XUVXKRRUSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000548800210 490542645 /nfs/dbraw/zinc/54/26/45/490542645.db2.gz IJCBDKDDMNBUNL-XUVXKRRUSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000548800210 490542649 /nfs/dbraw/zinc/54/26/49/490542649.db2.gz IJCBDKDDMNBUNL-XUVXKRRUSA-N 2 1 372.513 0.376 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000524783703 490559970 /nfs/dbraw/zinc/55/99/70/490559970.db2.gz XHFAULZIBSHQJG-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000524783702 490560063 /nfs/dbraw/zinc/56/00/63/490560063.db2.gz XHFAULZIBSHQJG-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H](C)C1 ZINC000511265648 490574745 /nfs/dbraw/zinc/57/47/45/490574745.db2.gz BIJZCFVCKHGROH-CABCVRRESA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H](C)C1 ZINC000511265648 490574750 /nfs/dbraw/zinc/57/47/50/490574750.db2.gz BIJZCFVCKHGROH-CABCVRRESA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@H](C)C1 ZINC000511265648 490574756 /nfs/dbraw/zinc/57/47/56/490574756.db2.gz BIJZCFVCKHGROH-CABCVRRESA-N 2 1 352.479 0.916 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@H](C)C1 ZINC000511265648 490574761 /nfs/dbraw/zinc/57/47/61/490574761.db2.gz BIJZCFVCKHGROH-CABCVRRESA-N 2 1 352.479 0.916 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000485989334 490579262 /nfs/dbraw/zinc/57/92/62/490579262.db2.gz NHFVYFFPVAEJHM-ZJPYXAASSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000485989334 490579265 /nfs/dbraw/zinc/57/92/65/490579265.db2.gz NHFVYFFPVAEJHM-ZJPYXAASSA-N 2 1 350.507 0.477 20 0 FCADMP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000501154668 490584580 /nfs/dbraw/zinc/58/45/80/490584580.db2.gz QMQGSWVVUDYHHX-KRWDZBQOSA-N 2 1 368.522 0.357 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000525302925 490595021 /nfs/dbraw/zinc/59/50/21/490595021.db2.gz ZNBLNHXGFUFVRZ-SJORKVTESA-N 2 1 365.522 0.844 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228736 490599201 /nfs/dbraw/zinc/59/92/01/490599201.db2.gz KAFRCAFVAQSWRX-NVXWUHKLSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228736 490599202 /nfs/dbraw/zinc/59/92/02/490599202.db2.gz KAFRCAFVAQSWRX-NVXWUHKLSA-N 2 1 350.507 0.587 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000486289723 490606288 /nfs/dbraw/zinc/60/62/88/490606288.db2.gz FDLJDCRIPWUISQ-KSWRQPAISA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486289723 490606289 /nfs/dbraw/zinc/60/62/89/490606289.db2.gz FDLJDCRIPWUISQ-KSWRQPAISA-N 2 1 352.523 0.639 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000486289723 490606292 /nfs/dbraw/zinc/60/62/92/490606292.db2.gz FDLJDCRIPWUISQ-KSWRQPAISA-N 2 1 352.523 0.639 20 0 FCADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000501507422 490608989 /nfs/dbraw/zinc/60/89/89/490608989.db2.gz VBBBMLJFUMJNKA-ZWKOTPCHSA-N 2 1 363.527 0.959 20 0 FCADMP C[NH+](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000501507422 490608993 /nfs/dbraw/zinc/60/89/93/490608993.db2.gz VBBBMLJFUMJNKA-ZWKOTPCHSA-N 2 1 363.527 0.959 20 0 FCADMP C[NH+](CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000501507422 490608995 /nfs/dbraw/zinc/60/89/95/490608995.db2.gz VBBBMLJFUMJNKA-ZWKOTPCHSA-N 2 1 363.527 0.959 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525686432 490618285 /nfs/dbraw/zinc/61/82/85/490618285.db2.gz SZRHUYZBNLEVKQ-LJQANCHMSA-N 3 1 365.566 0.687 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525686432 490618288 /nfs/dbraw/zinc/61/82/88/490618288.db2.gz SZRHUYZBNLEVKQ-LJQANCHMSA-N 3 1 365.566 0.687 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501615178 490624930 /nfs/dbraw/zinc/62/49/30/490624930.db2.gz VDHOLJCSYXRVCC-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501615178 490624938 /nfs/dbraw/zinc/62/49/38/490624938.db2.gz VDHOLJCSYXRVCC-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501615178 490624943 /nfs/dbraw/zinc/62/49/43/490624943.db2.gz VDHOLJCSYXRVCC-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556851713 491341171 /nfs/dbraw/zinc/34/11/71/491341171.db2.gz MUTAEBKBZOAWLB-AZUAARDMSA-N 2 1 359.470 0.460 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556851713 491341172 /nfs/dbraw/zinc/34/11/72/491341172.db2.gz MUTAEBKBZOAWLB-AZUAARDMSA-N 2 1 359.470 0.460 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000501651823 490631419 /nfs/dbraw/zinc/63/14/19/490631419.db2.gz YMISONWMPPRCFC-VYDXJSESSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+](CCC(=O)N1CCOCC1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511879518 490633713 /nfs/dbraw/zinc/63/37/13/490633713.db2.gz QELUSRFKYLTIEH-UHFFFAOYSA-N 2 1 374.529 0.985 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996062 491341672 /nfs/dbraw/zinc/34/16/72/491341672.db2.gz KVAMRTNQYQLRKE-LSDHHAIUSA-N 2 1 352.504 0.531 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000486492494 490639864 /nfs/dbraw/zinc/63/98/64/490639864.db2.gz DTUHZQAGUIXKNX-NAHJCDBISA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486492494 490639870 /nfs/dbraw/zinc/63/98/70/490639870.db2.gz DTUHZQAGUIXKNX-NAHJCDBISA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000486492494 490639875 /nfs/dbraw/zinc/63/98/75/490639875.db2.gz DTUHZQAGUIXKNX-NAHJCDBISA-N 2 1 368.522 0.019 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000512018719 490651525 /nfs/dbraw/zinc/65/15/25/490651525.db2.gz PXDQBVGSZSUHCT-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)on1 ZINC000512239809 490666868 /nfs/dbraw/zinc/66/68/68/490666868.db2.gz GDAAAMNAJHHJSH-HNNXBMFYSA-N 2 1 353.467 0.290 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000550463610 490671653 /nfs/dbraw/zinc/67/16/53/490671653.db2.gz RPKFXJIIRBHVME-UHFFFAOYSA-N 2 1 368.522 0.140 20 0 FCADMP CC[NH+](CC)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000486813801 490673730 /nfs/dbraw/zinc/67/37/30/490673730.db2.gz RGILJOGEFVGLOK-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556963905 491345164 /nfs/dbraw/zinc/34/51/64/491345164.db2.gz NNDWWQONXPLTHG-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556963905 491345166 /nfs/dbraw/zinc/34/51/66/491345166.db2.gz NNDWWQONXPLTHG-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943023 490681222 /nfs/dbraw/zinc/68/12/22/490681222.db2.gz WVPMMRBHSREMSY-NJAFHUGGSA-N 2 1 360.502 0.589 20 0 FCADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419529 490703983 /nfs/dbraw/zinc/70/39/83/490703983.db2.gz OMPNFHCUUOJUPV-APAFKAMOSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462296 490730263 /nfs/dbraw/zinc/73/02/63/490730263.db2.gz CZUMOVJRTKRRIR-HOTGVXAUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513469954 490731971 /nfs/dbraw/zinc/73/19/71/490731971.db2.gz UBISDHSYHCCHBW-INIZCTEOSA-N 2 1 369.554 0.175 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)(C)C[NH+](C)C ZINC000513502121 490735752 /nfs/dbraw/zinc/73/57/52/490735752.db2.gz YYVMPRNBKILFPF-HNNXBMFYSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCC(C)CC1 ZINC000557118570 491353957 /nfs/dbraw/zinc/35/39/57/491353957.db2.gz SCGYFMBBHZJXLE-MRXNPFEDSA-N 2 1 368.522 0.138 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000557121546 491354333 /nfs/dbraw/zinc/35/43/33/491354333.db2.gz VPMNGNBRZQYZHV-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000539283793 490774869 /nfs/dbraw/zinc/77/48/69/490774869.db2.gz ZURZWKXNKXNAIX-QGZVFWFLSA-N 2 1 362.474 0.301 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122223 491354702 /nfs/dbraw/zinc/35/47/02/491354702.db2.gz QHTCZRRSNWNZEH-ARFHVFGLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000514861879 490793754 /nfs/dbraw/zinc/79/37/54/490793754.db2.gz VKTQZMFMUOTUKE-GRDNDAEWSA-N 2 1 362.474 0.111 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000514924343 490798139 /nfs/dbraw/zinc/79/81/39/490798139.db2.gz CCSQWXROBLCYEI-INIZCTEOSA-N 2 1 360.506 0.986 20 0 FCADMP CN1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154453 491356968 /nfs/dbraw/zinc/35/69/68/491356968.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 2 1 359.518 0.835 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049732 490805466 /nfs/dbraw/zinc/80/54/66/490805466.db2.gz PMRYZPONRZJHCD-MRXNPFEDSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000540246460 490810928 /nfs/dbraw/zinc/81/09/28/490810928.db2.gz HTRRYIIAQRBGLU-GJZGRUSLSA-N 2 1 363.524 0.255 20 0 FCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000572242943 491357843 /nfs/dbraw/zinc/35/78/43/491357843.db2.gz DOHTWDJSCHZMNB-CIRFHOKZSA-N 2 1 358.486 0.961 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000540386410 490820464 /nfs/dbraw/zinc/82/04/64/490820464.db2.gz YYXIBKDPRRQDJS-OAHLLOKOSA-N 2 1 370.494 0.376 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000540386410 490820466 /nfs/dbraw/zinc/82/04/66/490820466.db2.gz YYXIBKDPRRQDJS-OAHLLOKOSA-N 2 1 370.494 0.376 20 0 FCADMP CC[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000515381348 490823015 /nfs/dbraw/zinc/82/30/15/490823015.db2.gz IFKKEPPTHFKQQI-ZWKOTPCHSA-N 2 1 358.486 0.808 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783086 490839760 /nfs/dbraw/zinc/83/97/60/490839760.db2.gz ISBUYSDVJZSPHG-DLBZAZTESA-N 2 1 368.522 0.356 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303547 490848801 /nfs/dbraw/zinc/84/88/01/490848801.db2.gz OIJXUOCYKPVZQM-HZPDHXFCSA-N 2 1 353.511 0.569 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000529376752 490858043 /nfs/dbraw/zinc/85/80/43/490858043.db2.gz SJUPGRRMJHHZBI-JZXOWHBKSA-N 2 1 368.522 0.896 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000572316590 491362876 /nfs/dbraw/zinc/36/28/76/491362876.db2.gz SEXGRSRFUVBKAY-KRWDZBQOSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000516695754 490875625 /nfs/dbraw/zinc/87/56/25/490875625.db2.gz OOUWOWLUGYXJNE-LSDHHAIUSA-N 2 1 350.463 0.152 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000516695754 490875628 /nfs/dbraw/zinc/87/56/28/490875628.db2.gz OOUWOWLUGYXJNE-LSDHHAIUSA-N 2 1 350.463 0.152 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)CCO1 ZINC000516924244 490885292 /nfs/dbraw/zinc/88/52/92/490885292.db2.gz IIVCKPXGWWEJPJ-OAHLLOKOSA-N 2 1 372.473 0.778 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)CCO1 ZINC000516924244 490885293 /nfs/dbraw/zinc/88/52/93/490885293.db2.gz IIVCKPXGWWEJPJ-OAHLLOKOSA-N 2 1 372.473 0.778 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000530249722 490895142 /nfs/dbraw/zinc/89/51/42/490895142.db2.gz YCHVSMAXJVAGQW-IBGZPJMESA-N 3 1 374.533 0.819 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)CC1 ZINC000517225444 490899994 /nfs/dbraw/zinc/89/99/94/490899994.db2.gz ZDLWOVPKOOPXTE-QGZVFWFLSA-N 2 1 365.522 0.700 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000557225508 491360332 /nfs/dbraw/zinc/36/03/32/491360332.db2.gz FPWOUUMFQULVJK-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000517366227 490905475 /nfs/dbraw/zinc/90/54/75/490905475.db2.gz YSUYSIGJDCNKIV-MAUKXSAKSA-N 2 1 374.485 0.962 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000542777817 490908735 /nfs/dbraw/zinc/90/87/35/490908735.db2.gz CCWGOKQUBDSPMG-DOTOQJQBSA-N 2 1 365.522 0.665 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557264815 491363718 /nfs/dbraw/zinc/36/37/18/491363718.db2.gz YYVUEIFGRBMXFN-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000557264815 491363721 /nfs/dbraw/zinc/36/37/21/491363721.db2.gz YYVUEIFGRBMXFN-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000557264815 491363723 /nfs/dbraw/zinc/36/37/23/491363723.db2.gz YYVUEIFGRBMXFN-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000557264815 491363725 /nfs/dbraw/zinc/36/37/25/491363725.db2.gz YYVUEIFGRBMXFN-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[NH+]2CCN1CCC2 ZINC000542778708 490909276 /nfs/dbraw/zinc/90/92/76/490909276.db2.gz HHFIZSRMCNVUBO-XUVXKRRUSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000542778708 490909278 /nfs/dbraw/zinc/90/92/78/490909278.db2.gz HHFIZSRMCNVUBO-XUVXKRRUSA-N 2 1 372.513 0.376 20 0 FCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000542778708 490909279 /nfs/dbraw/zinc/90/92/79/490909279.db2.gz HHFIZSRMCNVUBO-XUVXKRRUSA-N 2 1 372.513 0.376 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000517577858 490912916 /nfs/dbraw/zinc/91/29/16/490912916.db2.gz BKGBIHKCONQSTI-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530577111 490914105 /nfs/dbraw/zinc/91/41/05/490914105.db2.gz IZDPCEJKNGGDSN-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530577111 490914106 /nfs/dbraw/zinc/91/41/06/490914106.db2.gz IZDPCEJKNGGDSN-HXUWFJFHSA-N 2 1 361.486 0.539 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777978 490923721 /nfs/dbraw/zinc/92/37/21/490923721.db2.gz CBOAICNRADNPBT-MSOLQXFVSA-N 2 1 372.579 0.758 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000518246579 490934571 /nfs/dbraw/zinc/93/45/71/490934571.db2.gz ODGNMPKMFGXDPQ-KRWDZBQOSA-N 2 1 370.538 0.650 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292211 491365510 /nfs/dbraw/zinc/36/55/10/491365510.db2.gz DTQMGNGYLCEXOO-QAPCUYQASA-N 2 1 374.485 0.260 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292211 491365512 /nfs/dbraw/zinc/36/55/12/491365512.db2.gz DTQMGNGYLCEXOO-QAPCUYQASA-N 2 1 374.485 0.260 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@@H]12 ZINC000518514680 490943826 /nfs/dbraw/zinc/94/38/26/490943826.db2.gz IMSPEHRJCDAOGC-WTNVTLLGSA-N 2 1 360.502 0.657 20 0 FCADMP Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189493 490945296 /nfs/dbraw/zinc/94/52/96/490945296.db2.gz GELNSVSYPGLTFI-MRXNPFEDSA-N 2 1 363.510 0.826 20 0 FCADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252965 491366037 /nfs/dbraw/zinc/36/60/37/491366037.db2.gz FZXVTQIFIYOGPQ-DJIMGWMZSA-N 2 1 359.474 0.460 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)CC[C@@H]21 ZINC000518960819 490957091 /nfs/dbraw/zinc/95/70/91/490957091.db2.gz VVTBPKUWMDPPPG-FJIDUMEYSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](C[S@](C)=O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000544128441 490958120 /nfs/dbraw/zinc/95/81/20/490958120.db2.gz OZBNSWRHBVCLFL-BZQUYTCOSA-N 2 1 367.519 0.660 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000519163221 490963808 /nfs/dbraw/zinc/96/38/08/490963808.db2.gz USTJHBGLBOOQDT-ZDUSSCGKSA-N 2 1 356.434 0.411 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000519369879 490969963 /nfs/dbraw/zinc/96/99/63/490969963.db2.gz GFEFYDHPNGYFIW-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000544502728 490970108 /nfs/dbraw/zinc/97/01/08/490970108.db2.gz NFNSFGLCWQBLMW-OAHLLOKOSA-N 2 1 356.511 0.354 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000544659680 490974752 /nfs/dbraw/zinc/97/47/52/490974752.db2.gz CLOWQPMKBZWSSX-KRWDZBQOSA-N 2 1 368.503 0.692 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000519548710 490975622 /nfs/dbraw/zinc/97/56/22/490975622.db2.gz BDWMFWZGQKJQMZ-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)CC1 ZINC000531838328 490976168 /nfs/dbraw/zinc/97/61/68/490976168.db2.gz XRYTUPIMJQWHRC-ZWKOTPCHSA-N 2 1 366.554 0.042 20 0 FCADMP Cc1cc(O)cc(=O)n1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000531842065 490976957 /nfs/dbraw/zinc/97/69/57/490976957.db2.gz PANHURFJDNMHIU-UHFFFAOYSA-N 2 1 357.414 0.648 20 0 FCADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000519593093 490978005 /nfs/dbraw/zinc/97/80/05/490978005.db2.gz ZKHDTPUFDHZDEE-MRXNPFEDSA-N 2 1 366.893 0.944 20 0 FCADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000519593093 490978007 /nfs/dbraw/zinc/97/80/07/490978007.db2.gz ZKHDTPUFDHZDEE-MRXNPFEDSA-N 2 1 366.893 0.944 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519643566 490981544 /nfs/dbraw/zinc/98/15/44/490981544.db2.gz SVZGNZYQISZGBI-WBVHZDCISA-N 2 1 350.507 0.635 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000519652781 490982690 /nfs/dbraw/zinc/98/26/90/490982690.db2.gz QTUGCATZNHQAQN-DOTOQJQBSA-N 2 1 359.474 0.373 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532027687 490983627 /nfs/dbraw/zinc/98/36/27/490983627.db2.gz GEHUQGLYSZYTOV-ROUUACIJSA-N 2 1 368.522 0.728 20 0 FCADMP CC(CN1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCN(CC(C)(C)O)CC1 ZINC000532546320 490994039 /nfs/dbraw/zinc/99/40/39/490994039.db2.gz CYZWYTRADIUIAU-UHFFFAOYSA-N 2 1 370.582 0.400 20 0 FCADMP COCC[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562442362 491166019 /nfs/dbraw/zinc/16/60/19/491166019.db2.gz PUGCEZOGPBWIFA-LNLFQRSKSA-N 2 1 357.539 0.747 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562442362 491166022 /nfs/dbraw/zinc/16/60/22/491166022.db2.gz PUGCEZOGPBWIFA-LNLFQRSKSA-N 2 1 357.539 0.747 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000569697514 491182640 /nfs/dbraw/zinc/18/26/40/491182640.db2.gz QJHDTWJIXWLPHP-AWEZNQCLSA-N 3 1 370.461 0.429 20 0 FCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+](C)C ZINC000569756024 491188725 /nfs/dbraw/zinc/18/87/25/491188725.db2.gz UTGNOHDUFWGBCD-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)cn2)CC1 ZINC000572413210 491368542 /nfs/dbraw/zinc/36/85/42/491368542.db2.gz SBAXQLKVUVJVIL-RYRKJORJSA-N 2 1 374.489 0.144 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)cn2)CC1 ZINC000572413208 491368667 /nfs/dbraw/zinc/36/86/67/491368667.db2.gz SBAXQLKVUVJVIL-JFIYKMOQSA-N 2 1 374.489 0.144 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccc(F)cc1 ZINC000565411634 491375094 /nfs/dbraw/zinc/37/50/94/491375094.db2.gz YMQFZNHNZMTDIV-SFHVURJKSA-N 2 1 363.481 0.947 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000557491046 491377211 /nfs/dbraw/zinc/37/72/11/491377211.db2.gz FTHZADSVPGHKRF-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000557491046 491377212 /nfs/dbraw/zinc/37/72/12/491377212.db2.gz FTHZADSVPGHKRF-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516470 493339859 /nfs/dbraw/zinc/33/98/59/493339859.db2.gz HVDWPVJMSMSHOH-SLFFLAALSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673516470 493339862 /nfs/dbraw/zinc/33/98/62/493339862.db2.gz HVDWPVJMSMSHOH-SLFFLAALSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673516470 493339864 /nfs/dbraw/zinc/33/98/64/493339864.db2.gz HVDWPVJMSMSHOH-SLFFLAALSA-N 2 1 373.497 0.945 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673516470 493339865 /nfs/dbraw/zinc/33/98/65/493339865.db2.gz HVDWPVJMSMSHOH-SLFFLAALSA-N 2 1 373.497 0.945 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000557751274 491395836 /nfs/dbraw/zinc/39/58/36/491395836.db2.gz RCVYZQAVQOJELS-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000557751274 491395839 /nfs/dbraw/zinc/39/58/39/491395839.db2.gz RCVYZQAVQOJELS-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000557751274 491395842 /nfs/dbraw/zinc/39/58/42/491395842.db2.gz RCVYZQAVQOJELS-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP O=C1CCc2cc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCC3)ccc2N1 ZINC000572841737 491396716 /nfs/dbraw/zinc/39/67/16/491396716.db2.gz ARUBYBQPTVZTJJ-CVEARBPZSA-N 2 1 363.458 0.357 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000572897665 491400851 /nfs/dbraw/zinc/40/08/51/491400851.db2.gz RNUIGPJBKFPMMF-INIZCTEOSA-N 2 1 350.511 0.448 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000558010425 491408961 /nfs/dbraw/zinc/40/89/61/491408961.db2.gz JODAQDFGCFLQPQ-MRXNPFEDSA-N 2 1 356.511 0.402 20 0 FCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)NC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000573074944 491410555 /nfs/dbraw/zinc/41/05/55/491410555.db2.gz NJMYZTYWROZAIO-UHFFFAOYSA-N 2 1 373.501 0.628 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)[C@H](C)C1 ZINC000573102920 491412953 /nfs/dbraw/zinc/41/29/53/491412953.db2.gz RBSNOBZYFHYIMY-HZPDHXFCSA-N 2 1 356.511 0.260 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000573192651 491418031 /nfs/dbraw/zinc/41/80/31/491418031.db2.gz ADRSPPXGCLVWOU-CQSZACIVSA-N 2 1 368.522 0.591 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000566146901 491420339 /nfs/dbraw/zinc/42/03/39/491420339.db2.gz HMGLCZAGYGEJJX-JKSUJKDBSA-N 2 1 362.474 0.672 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216632 491420507 /nfs/dbraw/zinc/42/05/07/491420507.db2.gz JBHWVDDGICEBQE-OLZOCXBDSA-N 2 1 366.428 0.976 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216632 491420499 /nfs/dbraw/zinc/42/04/99/491420499.db2.gz JBHWVDDGICEBQE-OLZOCXBDSA-N 2 1 366.428 0.976 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216632 491420501 /nfs/dbraw/zinc/42/05/01/491420501.db2.gz JBHWVDDGICEBQE-OLZOCXBDSA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CCC(F)(F)F ZINC000558216632 491420504 /nfs/dbraw/zinc/42/05/04/491420504.db2.gz JBHWVDDGICEBQE-OLZOCXBDSA-N 2 1 366.428 0.976 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216633 491420581 /nfs/dbraw/zinc/42/05/81/491420581.db2.gz JBHWVDDGICEBQE-QWHCGFSZSA-N 2 1 366.428 0.976 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216633 491420582 /nfs/dbraw/zinc/42/05/82/491420582.db2.gz JBHWVDDGICEBQE-QWHCGFSZSA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216633 491420583 /nfs/dbraw/zinc/42/05/83/491420583.db2.gz JBHWVDDGICEBQE-QWHCGFSZSA-N 2 1 366.428 0.976 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000558216633 491420584 /nfs/dbraw/zinc/42/05/84/491420584.db2.gz JBHWVDDGICEBQE-QWHCGFSZSA-N 2 1 366.428 0.976 20 0 FCADMP COC[C@]1(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000566168904 491422609 /nfs/dbraw/zinc/42/26/09/491422609.db2.gz XTXYRABGRQNEHO-PXNSSMCTSA-N 2 1 360.502 0.939 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000573321423 491426346 /nfs/dbraw/zinc/42/63/46/491426346.db2.gz UVNVJLVIKCZFKV-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321423 491426347 /nfs/dbraw/zinc/42/63/47/491426347.db2.gz UVNVJLVIKCZFKV-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321423 491426351 /nfs/dbraw/zinc/42/63/51/491426351.db2.gz UVNVJLVIKCZFKV-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000566236862 491428804 /nfs/dbraw/zinc/42/88/04/491428804.db2.gz CEFSDMFFNAFHHB-YJBOKZPZSA-N 2 1 358.486 0.919 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000573368256 491429564 /nfs/dbraw/zinc/42/95/64/491429564.db2.gz ZEQPVRINUSRWHF-UHFFFAOYSA-N 2 1 355.483 0.002 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000566244931 491430152 /nfs/dbraw/zinc/43/01/52/491430152.db2.gz COLXYVPXLUZJJY-UONOGXRCSA-N 2 1 366.487 0.594 20 0 FCADMP CC1(C)CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000573561575 491440680 /nfs/dbraw/zinc/44/06/80/491440680.db2.gz PGPHKPAQGZJIPE-KRWDZBQOSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000573578656 491442027 /nfs/dbraw/zinc/44/20/27/491442027.db2.gz FZYVDPHSMJMGIL-IRXDYDNUSA-N 2 1 359.474 0.462 20 0 FCADMP O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000573586257 491442477 /nfs/dbraw/zinc/44/24/77/491442477.db2.gz REBMDIYXOJMNRP-CQSZACIVSA-N 2 1 363.487 0.869 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660331266 493343818 /nfs/dbraw/zinc/34/38/18/493343818.db2.gz ZRBWQHYBUYBXMR-MRXNPFEDSA-N 2 1 365.522 0.903 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660331266 493343820 /nfs/dbraw/zinc/34/38/20/493343820.db2.gz ZRBWQHYBUYBXMR-MRXNPFEDSA-N 2 1 365.522 0.903 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785530 491454756 /nfs/dbraw/zinc/45/47/56/491454756.db2.gz CAPVCXANJWZWTM-WMZOPIPTSA-N 2 1 364.490 0.811 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785530 491454758 /nfs/dbraw/zinc/45/47/58/491454758.db2.gz CAPVCXANJWZWTM-WMZOPIPTSA-N 2 1 364.490 0.811 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000573823650 491457269 /nfs/dbraw/zinc/45/72/69/491457269.db2.gz LPPUOEMDPZZFQS-ZNMIVQPWSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000573823650 491457270 /nfs/dbraw/zinc/45/72/70/491457270.db2.gz LPPUOEMDPZZFQS-ZNMIVQPWSA-N 2 1 354.495 0.188 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000566841885 491470345 /nfs/dbraw/zinc/47/03/45/491470345.db2.gz DFAYZFYOEDQAAJ-UHFFFAOYSA-N 2 1 366.531 0.845 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)CC1 ZINC000559461141 491475340 /nfs/dbraw/zinc/47/53/40/491475340.db2.gz SNOITHMMUQQKRT-DOTOQJQBSA-N 2 1 368.522 0.281 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)CC1 ZINC000559461141 491475342 /nfs/dbraw/zinc/47/53/42/491475342.db2.gz SNOITHMMUQQKRT-DOTOQJQBSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC000574191066 491480146 /nfs/dbraw/zinc/48/01/46/491480146.db2.gz ATFRELAOSCCBHX-RWQQGDIJSA-N 2 1 370.497 0.786 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000559574790 491482569 /nfs/dbraw/zinc/48/25/69/491482569.db2.gz NCHQEVBGXZZWKU-MRXNPFEDSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000567098972 491485503 /nfs/dbraw/zinc/48/55/03/491485503.db2.gz JBYFKLYYUSHHHY-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000567098972 491485506 /nfs/dbraw/zinc/48/55/06/491485506.db2.gz JBYFKLYYUSHHHY-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000567098972 491485508 /nfs/dbraw/zinc/48/55/08/491485508.db2.gz JBYFKLYYUSHHHY-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000567098972 491485510 /nfs/dbraw/zinc/48/55/10/491485510.db2.gz JBYFKLYYUSHHHY-WBVHZDCISA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567139121 491488075 /nfs/dbraw/zinc/48/80/75/491488075.db2.gz DSOSIRIQONRPQZ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000567139121 491488076 /nfs/dbraw/zinc/48/80/76/491488076.db2.gz DSOSIRIQONRPQZ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567139121 491488080 /nfs/dbraw/zinc/48/80/80/491488080.db2.gz DSOSIRIQONRPQZ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567139121 491488082 /nfs/dbraw/zinc/48/80/82/491488082.db2.gz DSOSIRIQONRPQZ-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000567139118 491488093 /nfs/dbraw/zinc/48/80/93/491488093.db2.gz DSOSIRIQONRPQZ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000567139118 491488095 /nfs/dbraw/zinc/48/80/95/491488095.db2.gz DSOSIRIQONRPQZ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000567139118 491488099 /nfs/dbraw/zinc/48/80/99/491488099.db2.gz DSOSIRIQONRPQZ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000567139118 491488100 /nfs/dbraw/zinc/48/81/00/491488100.db2.gz DSOSIRIQONRPQZ-DLBZAZTESA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000567201682 491491736 /nfs/dbraw/zinc/49/17/36/491491736.db2.gz HQNQYYNCDZLFCI-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000567201682 491491738 /nfs/dbraw/zinc/49/17/38/491491738.db2.gz HQNQYYNCDZLFCI-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000567201682 491491741 /nfs/dbraw/zinc/49/17/41/491491741.db2.gz HQNQYYNCDZLFCI-BZUAXINKSA-N 2 1 353.511 0.746 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000668390209 493346177 /nfs/dbraw/zinc/34/61/77/493346177.db2.gz NRWPPIXIEHOIDV-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000668390209 493346179 /nfs/dbraw/zinc/34/61/79/493346179.db2.gz NRWPPIXIEHOIDV-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000668390209 493346181 /nfs/dbraw/zinc/34/61/81/493346181.db2.gz NRWPPIXIEHOIDV-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000574421815 491495566 /nfs/dbraw/zinc/49/55/66/491495566.db2.gz GLTRNBVLVZYOSS-OAHLLOKOSA-N 2 1 365.478 0.131 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000574421815 491495569 /nfs/dbraw/zinc/49/55/69/491495569.db2.gz GLTRNBVLVZYOSS-OAHLLOKOSA-N 2 1 365.478 0.131 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484686 491500133 /nfs/dbraw/zinc/50/01/33/491500133.db2.gz REQABNWJYZULTO-LJIGWXMPSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484686 491500134 /nfs/dbraw/zinc/50/01/34/491500134.db2.gz REQABNWJYZULTO-LJIGWXMPSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484686 491500137 /nfs/dbraw/zinc/50/01/37/491500137.db2.gz REQABNWJYZULTO-LJIGWXMPSA-N 2 1 366.506 0.201 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000559834679 491503720 /nfs/dbraw/zinc/50/37/20/491503720.db2.gz WMJOVSKXVCIVBR-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000559834679 491503721 /nfs/dbraw/zinc/50/37/21/491503721.db2.gz WMJOVSKXVCIVBR-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000559834679 491503722 /nfs/dbraw/zinc/50/37/22/491503722.db2.gz WMJOVSKXVCIVBR-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CN(CC[NH+](C)C)Cc2ccccn2)C[C@H](C)O1 ZINC000574581418 491506746 /nfs/dbraw/zinc/50/67/46/491506746.db2.gz JZKHUUIQDTZYNN-ZIFCJYIRSA-N 2 1 350.507 0.915 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN(CC[NH+](C)C)Cc2ccccn2)C[C@H](C)O1 ZINC000574581418 491506747 /nfs/dbraw/zinc/50/67/47/491506747.db2.gz JZKHUUIQDTZYNN-ZIFCJYIRSA-N 2 1 350.507 0.915 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000574674695 491512256 /nfs/dbraw/zinc/51/22/56/491512256.db2.gz RZAYLTOSXBYGIX-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000574674695 491512257 /nfs/dbraw/zinc/51/22/57/491512257.db2.gz RZAYLTOSXBYGIX-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674695 491512260 /nfs/dbraw/zinc/51/22/60/491512260.db2.gz RZAYLTOSXBYGIX-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000574674695 491512263 /nfs/dbraw/zinc/51/22/63/491512263.db2.gz RZAYLTOSXBYGIX-RRFJBIMHSA-N 2 1 366.506 0.031 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571483 491514556 /nfs/dbraw/zinc/51/45/56/491514556.db2.gz HZPIFTFYZGJQFV-DLBZAZTESA-N 2 1 355.527 0.408 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567581238 491515089 /nfs/dbraw/zinc/51/50/89/491515089.db2.gz JUUOFHURJAZMKH-OKZBNKHCSA-N 2 1 368.522 0.776 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567581238 491515092 /nfs/dbraw/zinc/51/50/92/491515092.db2.gz JUUOFHURJAZMKH-OKZBNKHCSA-N 2 1 368.522 0.776 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000560024577 491515987 /nfs/dbraw/zinc/51/59/87/491515987.db2.gz MUWUWFZTRVRIPD-SJORKVTESA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000560024577 491515988 /nfs/dbraw/zinc/51/59/88/491515988.db2.gz MUWUWFZTRVRIPD-SJORKVTESA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560024577 491515989 /nfs/dbraw/zinc/51/59/89/491515989.db2.gz MUWUWFZTRVRIPD-SJORKVTESA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000560024463 491516130 /nfs/dbraw/zinc/51/61/30/491516130.db2.gz LNUIIMQGYITMHB-IRXDYDNUSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000560300861 491529695 /nfs/dbraw/zinc/52/96/95/491529695.db2.gz VKKZYUGBWLPWNE-WMZOPIPTSA-N 2 1 360.502 0.828 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038289 491535223 /nfs/dbraw/zinc/53/52/23/491535223.db2.gz LTEHPTVZIYHRGJ-CHWSQXEVSA-N 2 1 351.417 0.558 20 0 FCADMP COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000567895545 491539136 /nfs/dbraw/zinc/53/91/36/491539136.db2.gz NPPGRXUNMMMIEP-ZOBUZTSGSA-N 2 1 359.430 0.242 20 0 FCADMP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)nn1 ZINC000567895545 491539138 /nfs/dbraw/zinc/53/91/38/491539138.db2.gz NPPGRXUNMMMIEP-ZOBUZTSGSA-N 2 1 359.430 0.242 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000575203890 491545394 /nfs/dbraw/zinc/54/53/94/491545394.db2.gz HJLDEVNVVWXFEV-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000575203890 491545396 /nfs/dbraw/zinc/54/53/96/491545396.db2.gz HJLDEVNVVWXFEV-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000575203890 491545397 /nfs/dbraw/zinc/54/53/97/491545397.db2.gz HJLDEVNVVWXFEV-QGZVFWFLSA-N 2 1 367.538 0.073 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000567990265 491545699 /nfs/dbraw/zinc/54/56/99/491545699.db2.gz OVGNRVPVRYLTQC-UHFFFAOYSA-N 2 1 361.534 0.654 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000575234087 491546984 /nfs/dbraw/zinc/54/69/84/491546984.db2.gz LRCRZDGNSRJPSX-QGZVFWFLSA-N 2 1 365.522 0.666 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000568061211 491551105 /nfs/dbraw/zinc/55/11/05/491551105.db2.gz ONFODLPNCWEZRP-INIZCTEOSA-N 2 1 358.486 0.748 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000560670143 491551945 /nfs/dbraw/zinc/55/19/45/491551945.db2.gz OMKTXZWWUMFEJX-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000560763097 491555643 /nfs/dbraw/zinc/55/56/43/491555643.db2.gz LOESDANNJKWLQI-JKSUJKDBSA-N 2 1 350.507 0.990 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000575812822 491562616 /nfs/dbraw/zinc/56/26/16/491562616.db2.gz SLLJVTWDXHXFEJ-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C ZINC000575882108 491567290 /nfs/dbraw/zinc/56/72/90/491567290.db2.gz JDXZGFFUQLOZPR-JKSUJKDBSA-N 2 1 361.442 0.599 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C ZINC000575882108 491567292 /nfs/dbraw/zinc/56/72/92/491567292.db2.gz JDXZGFFUQLOZPR-JKSUJKDBSA-N 2 1 361.442 0.599 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295695 491568043 /nfs/dbraw/zinc/56/80/43/491568043.db2.gz LUFXNSQDHACJEI-KZNAEPCWSA-N 2 1 371.485 0.604 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C(=O)OC)C3)CC2)CC1 ZINC000576000808 491575030 /nfs/dbraw/zinc/57/50/30/491575030.db2.gz LDZFXFQABIUHAR-QGZVFWFLSA-N 2 1 367.490 0.583 20 0 FCADMP O=C(CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000561128129 491577423 /nfs/dbraw/zinc/57/74/23/491577423.db2.gz JZMSOQHXTIOXAR-UHFFFAOYSA-N 2 1 359.474 0.166 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)ccc1C ZINC000568521969 491583164 /nfs/dbraw/zinc/58/31/64/491583164.db2.gz NZRBCZIRSZJESB-UHFFFAOYSA-N 2 1 368.503 0.902 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000568541691 491585557 /nfs/dbraw/zinc/58/55/57/491585557.db2.gz QWHMHIWUAKVNTH-INIZCTEOSA-N 2 1 365.478 0.267 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC000576146832 491585978 /nfs/dbraw/zinc/58/59/78/491585978.db2.gz FLDPFZLFKZFBJX-HXUWFJFHSA-N 2 1 362.518 0.923 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000561239512 491588398 /nfs/dbraw/zinc/58/83/98/491588398.db2.gz FBARSMXYSYUQFW-KBPBESRZSA-N 2 1 354.495 0.106 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577105594 491589965 /nfs/dbraw/zinc/58/99/65/491589965.db2.gz IPHNYBJCYVLZBN-IAGOWNOFSA-N 2 1 364.490 0.053 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577105594 491589966 /nfs/dbraw/zinc/58/99/66/491589966.db2.gz IPHNYBJCYVLZBN-IAGOWNOFSA-N 2 1 364.490 0.053 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000660469813 493353583 /nfs/dbraw/zinc/35/35/83/493353583.db2.gz KWEKIAWDBRTCPQ-GOSISDBHSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000660469813 493353587 /nfs/dbraw/zinc/35/35/87/493353587.db2.gz KWEKIAWDBRTCPQ-GOSISDBHSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584459983 491593753 /nfs/dbraw/zinc/59/37/53/491593753.db2.gz ISXKQPMLGHFGQR-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584459983 491593756 /nfs/dbraw/zinc/59/37/56/491593756.db2.gz ISXKQPMLGHFGQR-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000577218836 491603806 /nfs/dbraw/zinc/60/38/06/491603806.db2.gz LAIOKZGSKAJVJF-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000568738657 491604775 /nfs/dbraw/zinc/60/47/75/491604775.db2.gz IGPOOWFSBBBDTC-IBGZPJMESA-N 2 1 367.538 0.962 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000568738657 491604779 /nfs/dbraw/zinc/60/47/79/491604779.db2.gz IGPOOWFSBBBDTC-IBGZPJMESA-N 2 1 367.538 0.962 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[NH+]1CCOCC1 ZINC000568735932 491604928 /nfs/dbraw/zinc/60/49/28/491604928.db2.gz SMUPRUHKWNXXTO-IAGOWNOFSA-N 2 1 368.522 0.740 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000568766662 491608048 /nfs/dbraw/zinc/60/80/48/491608048.db2.gz DPJVDDYGEQGLOA-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000577371054 491615895 /nfs/dbraw/zinc/61/58/95/491615895.db2.gz KFZUBZKTVMQNRN-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389620 491617790 /nfs/dbraw/zinc/61/77/90/491617790.db2.gz IASGOKKUVZYPSI-UONOGXRCSA-N 2 1 363.487 0.060 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577389620 491617794 /nfs/dbraw/zinc/61/77/94/491617794.db2.gz IASGOKKUVZYPSI-UONOGXRCSA-N 2 1 363.487 0.060 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000561674749 491624061 /nfs/dbraw/zinc/62/40/61/491624061.db2.gz GFNOLQPMJIVIOP-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C(C)(C)C[NH+](C)C ZINC000576690548 491636104 /nfs/dbraw/zinc/63/61/04/491636104.db2.gz QXOZRHFTJVYSAI-GFCCVEGCSA-N 2 1 352.483 0.195 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000569132535 491636548 /nfs/dbraw/zinc/63/65/48/491636548.db2.gz DZCQPPBLRXOXGJ-KRWDZBQOSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000569132535 491636551 /nfs/dbraw/zinc/63/65/51/491636551.db2.gz DZCQPPBLRXOXGJ-KRWDZBQOSA-N 2 1 372.513 0.972 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569204499 491641292 /nfs/dbraw/zinc/64/12/92/491641292.db2.gz UABYBODYHJZHKM-NHYWBVRUSA-N 2 1 368.840 0.676 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1=CC[NH+](C)CC1 ZINC000561968645 491642980 /nfs/dbraw/zinc/64/29/80/491642980.db2.gz OFXKXMWQIDJLPZ-ZBFHGGJFSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968645 491642983 /nfs/dbraw/zinc/64/29/83/491642983.db2.gz OFXKXMWQIDJLPZ-ZBFHGGJFSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968645 491642986 /nfs/dbraw/zinc/64/29/86/491642986.db2.gz OFXKXMWQIDJLPZ-ZBFHGGJFSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000562001518 491645752 /nfs/dbraw/zinc/64/57/52/491645752.db2.gz MFSPLZUGPFVVAG-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000562001518 491645755 /nfs/dbraw/zinc/64/57/55/491645755.db2.gz MFSPLZUGPFVVAG-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CC(=O)NC1=O ZINC000569256544 491647230 /nfs/dbraw/zinc/64/72/30/491647230.db2.gz JHNPLPSWDNLKKC-MRXNPFEDSA-N 2 1 364.490 0.446 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000569331584 491652576 /nfs/dbraw/zinc/65/25/76/491652576.db2.gz YUOKAJBVEDFTHC-AWEZNQCLSA-N 2 1 360.462 0.183 20 0 FCADMP CNC(=O)[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000576943487 491658710 /nfs/dbraw/zinc/65/87/10/491658710.db2.gz KSGWFQLWKGSVGA-HKUYNNGSSA-N 2 1 358.486 0.911 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000668465901 493359248 /nfs/dbraw/zinc/35/92/48/493359248.db2.gz MWTPTFPADMJJDV-SFHVURJKSA-N 2 1 373.501 0.763 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 ZINC000578608306 491680525 /nfs/dbraw/zinc/68/05/25/491680525.db2.gz NEGFHNPUTYOUDP-MSOLQXFVSA-N 2 1 373.501 0.895 20 0 FCADMP C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000578745403 491683401 /nfs/dbraw/zinc/68/34/01/491683401.db2.gz RZPZTIYCQWZCKE-SJLPKXTDSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000578996724 491688691 /nfs/dbraw/zinc/68/86/91/491688691.db2.gz RWRNLBJAJUMISS-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578996724 491688692 /nfs/dbraw/zinc/68/86/92/491688692.db2.gz RWRNLBJAJUMISS-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578996724 491688693 /nfs/dbraw/zinc/68/86/93/491688693.db2.gz RWRNLBJAJUMISS-DLBZAZTESA-N 2 1 368.522 0.594 20 0 FCADMP O=C(C[NH2+]C(CO)CO)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000579022124 491689367 /nfs/dbraw/zinc/68/93/67/491689367.db2.gz PNXGPHGMCWWTNY-MRXNPFEDSA-N 2 1 355.866 0.536 20 0 FCADMP NC(=O)NC(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000579112121 491691206 /nfs/dbraw/zinc/69/12/06/491691206.db2.gz APHIXEJALITHHS-HNNXBMFYSA-N 2 1 361.446 0.059 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000579267218 491694514 /nfs/dbraw/zinc/69/45/14/491694514.db2.gz BGVLCVDQOQPQQH-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000579267218 491694515 /nfs/dbraw/zinc/69/45/15/491694515.db2.gz BGVLCVDQOQPQQH-OAHLLOKOSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822369 491705947 /nfs/dbraw/zinc/70/59/47/491705947.db2.gz BMOMZYBHRAFHJS-XLIONFOSSA-N 3 1 358.486 0.996 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000584580946 491708326 /nfs/dbraw/zinc/70/83/26/491708326.db2.gz MIIGYBRRQZDVTF-CLCXKQKWSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579936353 491710032 /nfs/dbraw/zinc/71/00/32/491710032.db2.gz FSWIWODCIMRCOP-WBVHZDCISA-N 2 1 362.474 0.247 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579936353 491710034 /nfs/dbraw/zinc/71/00/34/491710034.db2.gz FSWIWODCIMRCOP-WBVHZDCISA-N 2 1 362.474 0.247 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781437 491714308 /nfs/dbraw/zinc/71/43/08/491714308.db2.gz OOGLTJXPRGIBIX-DLBZAZTESA-N 2 1 374.485 0.886 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000668493394 493363410 /nfs/dbraw/zinc/36/34/10/493363410.db2.gz HQCLDLKVNUMSJA-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000668493394 493363413 /nfs/dbraw/zinc/36/34/13/493363413.db2.gz HQCLDLKVNUMSJA-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000668493394 493363415 /nfs/dbraw/zinc/36/34/15/493363415.db2.gz HQCLDLKVNUMSJA-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000668493394 493363417 /nfs/dbraw/zinc/36/34/17/493363417.db2.gz HQCLDLKVNUMSJA-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP Cc1cc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000580785951 491745963 /nfs/dbraw/zinc/74/59/63/491745963.db2.gz UEYSBDIVGMCMHJ-JKSUJKDBSA-N 2 1 372.473 0.444 20 0 FCADMP Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000683664001 493363530 /nfs/dbraw/zinc/36/35/30/493363530.db2.gz YOBAMIKPOCBKOJ-OAHLLOKOSA-N 2 1 359.474 0.922 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083667 491758800 /nfs/dbraw/zinc/75/88/00/491758800.db2.gz XELSSMUWZMJDRE-ZFWWWQNUSA-N 2 1 350.850 0.590 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000581083667 491758801 /nfs/dbraw/zinc/75/88/01/491758801.db2.gz XELSSMUWZMJDRE-ZFWWWQNUSA-N 2 1 350.850 0.590 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCO1 ZINC000581125318 491760349 /nfs/dbraw/zinc/76/03/49/491760349.db2.gz LQMTUNNVHXUHTQ-INIZCTEOSA-N 2 1 352.479 0.040 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581300678 491767532 /nfs/dbraw/zinc/76/75/32/491767532.db2.gz LQWOIWWCPVJZGT-BMGDILEWSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581300678 491767534 /nfs/dbraw/zinc/76/75/34/491767534.db2.gz LQWOIWWCPVJZGT-BMGDILEWSA-N 2 1 374.485 0.246 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581500302 491775308 /nfs/dbraw/zinc/77/53/08/491775308.db2.gz MXOUUOGRAIWUSN-MOPGFXCFSA-N 2 1 372.513 0.878 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000590497119 491777934 /nfs/dbraw/zinc/77/79/34/491777934.db2.gz QCPIQZYFKGSRCR-GOSISDBHSA-N 2 1 352.523 0.727 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000590497119 491777936 /nfs/dbraw/zinc/77/79/36/491777936.db2.gz QCPIQZYFKGSRCR-GOSISDBHSA-N 2 1 352.523 0.727 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000590497119 491777938 /nfs/dbraw/zinc/77/79/38/491777938.db2.gz QCPIQZYFKGSRCR-GOSISDBHSA-N 2 1 352.523 0.727 20 0 FCADMP CN(c1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618669 491779935 /nfs/dbraw/zinc/77/99/35/491779935.db2.gz KOYKTDHBHZBAMD-RBUKOAKNSA-N 3 1 371.529 0.961 20 0 FCADMP CN(c1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618669 491779936 /nfs/dbraw/zinc/77/99/36/491779936.db2.gz KOYKTDHBHZBAMD-RBUKOAKNSA-N 3 1 371.529 0.961 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581683130 491782852 /nfs/dbraw/zinc/78/28/52/491782852.db2.gz CAMSZEUMZSQISR-HRCADAONSA-N 2 1 356.511 0.448 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[N@H+]1C1CC1 ZINC000581747632 491785499 /nfs/dbraw/zinc/78/54/99/491785499.db2.gz SGSIWOJQWDHGTM-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747632 491785500 /nfs/dbraw/zinc/78/55/00/491785500.db2.gz SGSIWOJQWDHGTM-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000581747632 491785501 /nfs/dbraw/zinc/78/55/01/491785501.db2.gz SGSIWOJQWDHGTM-BZUAXINKSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668499224 493364658 /nfs/dbraw/zinc/36/46/58/493364658.db2.gz CJDWANCNRYWLSZ-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668499218 493364731 /nfs/dbraw/zinc/36/47/31/493364731.db2.gz CJDWANCNRYWLSZ-RDJZCZTQSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582350600 491808560 /nfs/dbraw/zinc/80/85/60/491808560.db2.gz BLTBQZYURIRNRR-JQHSSLGASA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582350600 491808562 /nfs/dbraw/zinc/80/85/62/491808562.db2.gz BLTBQZYURIRNRR-JQHSSLGASA-N 2 1 374.485 0.260 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582438035 491812659 /nfs/dbraw/zinc/81/26/59/491812659.db2.gz RQGASYXKTBXTRY-UHFFFAOYSA-N 2 1 366.506 0.300 20 0 FCADMP CC(C)C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000582475539 491813765 /nfs/dbraw/zinc/81/37/65/491813765.db2.gz SRTZRUSFWPHFEX-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000582726988 491824105 /nfs/dbraw/zinc/82/41/05/491824105.db2.gz ZSNLFHMPZSEHDE-KFWWJZLASA-N 2 1 350.463 0.598 20 0 FCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]21 ZINC000582846039 491829149 /nfs/dbraw/zinc/82/91/49/491829149.db2.gz UVSIKWDPIOPUPP-YESZJQIVSA-N 2 1 350.507 0.955 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852501 491829439 /nfs/dbraw/zinc/82/94/39/491829439.db2.gz DWJQHKJFSUJETQ-HOTGVXAUSA-N 2 1 370.538 0.552 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583138211 491838914 /nfs/dbraw/zinc/83/89/14/491838914.db2.gz ZVGFCINOXVVTQJ-QRQLOZEOSA-N 2 1 370.497 0.787 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000583381980 491843763 /nfs/dbraw/zinc/84/37/63/491843763.db2.gz ZNVTVVPHFGPQDS-OAHLLOKOSA-N 2 1 361.442 0.719 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000583381980 491843764 /nfs/dbraw/zinc/84/37/64/491843764.db2.gz ZNVTVVPHFGPQDS-OAHLLOKOSA-N 2 1 361.442 0.719 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000583458508 491845318 /nfs/dbraw/zinc/84/53/18/491845318.db2.gz JMYUEOVUMDPPAC-HRCADAONSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000583806720 491852424 /nfs/dbraw/zinc/85/24/24/491852424.db2.gz VEQIFZZNLVEIBW-KZNAEPCWSA-N 2 1 362.518 0.777 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000584126908 491859121 /nfs/dbraw/zinc/85/91/21/491859121.db2.gz CLBINWHBOSYMEN-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000584126908 491859122 /nfs/dbraw/zinc/85/91/22/491859122.db2.gz CLBINWHBOSYMEN-UHFFFAOYSA-N 2 1 367.538 0.071 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000584192645 491860470 /nfs/dbraw/zinc/86/04/70/491860470.db2.gz JDDZXGFFJDOZQC-UHFFFAOYSA-N 2 1 352.454 0.784 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000611642291 491864351 /nfs/dbraw/zinc/86/43/51/491864351.db2.gz WQKJRAIHPMAPOJ-ARFHVFGLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000611649018 491865117 /nfs/dbraw/zinc/86/51/17/491865117.db2.gz LYACCWURWLTPRT-KBXCAEBGSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000611651033 491865804 /nfs/dbraw/zinc/86/58/04/491865804.db2.gz UASRGAVNSSLQAY-HLLBOEOZSA-N 2 1 350.507 0.822 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1Br ZINC000594878026 491870569 /nfs/dbraw/zinc/87/05/69/491870569.db2.gz BENOGKNGKFJPBJ-OASPWFOLSA-N 2 1 367.247 0.219 20 0 FCADMP C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)CCOCC[NH3+] ZINC000600734573 491879765 /nfs/dbraw/zinc/87/97/65/491879765.db2.gz HJKZKMRIHYKHSP-LBPRGKRZSA-N 2 1 366.418 0.402 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000601408872 491914444 /nfs/dbraw/zinc/91/44/44/491914444.db2.gz VPTDOFIKMXYDFF-CQSZACIVSA-N 2 1 351.451 0.154 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000601408872 491914446 /nfs/dbraw/zinc/91/44/46/491914446.db2.gz VPTDOFIKMXYDFF-CQSZACIVSA-N 2 1 351.451 0.154 20 0 FCADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337837 491921961 /nfs/dbraw/zinc/92/19/61/491921961.db2.gz LRIKQQNHIHKNFT-IRXDYDNUSA-N 2 1 366.506 0.251 20 0 FCADMP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000595337838 491921990 /nfs/dbraw/zinc/92/19/90/491921990.db2.gz LRIKQQNHIHKNFT-SJORKVTESA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546878 491932017 /nfs/dbraw/zinc/93/20/17/491932017.db2.gz WUSSXBXNQHRLNQ-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000612780123 491950283 /nfs/dbraw/zinc/95/02/83/491950283.db2.gz DNTBJLVRRAYFLL-UHFFFAOYSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000595970068 491967010 /nfs/dbraw/zinc/96/70/10/491967010.db2.gz JPURNYFPXVNKPT-NRSFXHEJSA-N 2 1 372.469 0.046 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000595970068 491967013 /nfs/dbraw/zinc/96/70/13/491967013.db2.gz JPURNYFPXVNKPT-NRSFXHEJSA-N 2 1 372.469 0.046 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985718 492008663 /nfs/dbraw/zinc/00/86/63/492008663.db2.gz JVICWLKLGUSWQY-KWRZAIAESA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985718 492008666 /nfs/dbraw/zinc/00/86/66/492008666.db2.gz JVICWLKLGUSWQY-KWRZAIAESA-N 2 1 350.507 0.820 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000613985718 492008669 /nfs/dbraw/zinc/00/86/69/492008669.db2.gz JVICWLKLGUSWQY-KWRZAIAESA-N 2 1 350.507 0.820 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000603907672 492046980 /nfs/dbraw/zinc/04/69/80/492046980.db2.gz NDMKZNNWHMEOPV-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604388471 492059549 /nfs/dbraw/zinc/05/95/49/492059549.db2.gz FAWAQOLEOBHRNC-IBGZPJMESA-N 2 1 365.566 0.687 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604667707 492067211 /nfs/dbraw/zinc/06/72/11/492067211.db2.gz IDMZNHLPBBAXGS-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667707 492067212 /nfs/dbraw/zinc/06/72/12/492067212.db2.gz IDMZNHLPBBAXGS-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604668153 492067629 /nfs/dbraw/zinc/06/76/29/492067629.db2.gz SWUUBRYRNZOAPT-ZWKOTPCHSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000604668152 492067833 /nfs/dbraw/zinc/06/78/33/492067833.db2.gz SWUUBRYRNZOAPT-ROUUACIJSA-N 2 1 367.538 0.565 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000605884696 492104795 /nfs/dbraw/zinc/10/47/95/492104795.db2.gz UAYCHWUWODHFIN-GOEBONIOSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000605884696 492104796 /nfs/dbraw/zinc/10/47/96/492104796.db2.gz UAYCHWUWODHFIN-GOEBONIOSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000605884696 492104799 /nfs/dbraw/zinc/10/47/99/492104799.db2.gz UAYCHWUWODHFIN-GOEBONIOSA-N 2 1 351.495 0.642 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665584 492126285 /nfs/dbraw/zinc/12/62/85/492126285.db2.gz HOKCZPMVXGAOSK-DOTOQJQBSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000607228413 492141138 /nfs/dbraw/zinc/14/11/38/492141138.db2.gz NMTMAWHWLGEAOG-GJZGRUSLSA-N 2 1 356.511 0.630 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608013493 492162340 /nfs/dbraw/zinc/16/23/40/492162340.db2.gz KGUAXJIGUHEIIJ-XLIONFOSSA-N 2 1 360.502 0.376 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000608690672 492187121 /nfs/dbraw/zinc/18/71/21/492187121.db2.gz DQYIQAXKTJEUCK-SJORKVTESA-N 2 1 365.522 0.844 20 0 FCADMP C[C@H](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC000617753037 492189594 /nfs/dbraw/zinc/18/95/94/492189594.db2.gz ZOQLZIQOARGDMA-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000619897823 492282199 /nfs/dbraw/zinc/28/21/99/492282199.db2.gz BBMBUIMUGSRCBG-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000619897823 492282200 /nfs/dbraw/zinc/28/22/00/492282200.db2.gz BBMBUIMUGSRCBG-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641744032 492301489 /nfs/dbraw/zinc/30/14/89/492301489.db2.gz QHSBRTBBTUQEHP-GOSISDBHSA-N 2 1 367.538 0.568 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641778744 492304011 /nfs/dbraw/zinc/30/40/11/492304011.db2.gz XZVBQBYIURPZHU-MSOLQXFVSA-N 2 1 369.554 0.813 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000654450173 492305169 /nfs/dbraw/zinc/30/51/69/492305169.db2.gz DCRJCZKXNPRSLO-IXDOHACOSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000654450173 492305172 /nfs/dbraw/zinc/30/51/72/492305172.db2.gz DCRJCZKXNPRSLO-IXDOHACOSA-N 2 1 365.522 0.890 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000654450173 492305173 /nfs/dbraw/zinc/30/51/73/492305173.db2.gz DCRJCZKXNPRSLO-IXDOHACOSA-N 2 1 365.522 0.890 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641783614 492305837 /nfs/dbraw/zinc/30/58/37/492305837.db2.gz MJSAMGYFBYQVPT-QGZVFWFLSA-N 2 1 364.494 0.287 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641783614 492305838 /nfs/dbraw/zinc/30/58/38/492305838.db2.gz MJSAMGYFBYQVPT-QGZVFWFLSA-N 2 1 364.494 0.287 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826610 492310999 /nfs/dbraw/zinc/31/09/99/492310999.db2.gz OATZXMPUEFQRHT-ROUUACIJSA-N 2 1 369.554 0.811 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000641825878 492311076 /nfs/dbraw/zinc/31/10/76/492311076.db2.gz YGSXIXWASVPGNB-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000641825878 492311077 /nfs/dbraw/zinc/31/10/77/492311077.db2.gz YGSXIXWASVPGNB-MRXNPFEDSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825676 492311154 /nfs/dbraw/zinc/31/11/54/492311154.db2.gz VYXXIKUMCGCRFC-CVEARBPZSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1(C)C ZINC000641825676 492311155 /nfs/dbraw/zinc/31/11/55/492311155.db2.gz VYXXIKUMCGCRFC-CVEARBPZSA-N 2 1 366.506 0.284 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641826608 492311349 /nfs/dbraw/zinc/31/13/49/492311349.db2.gz OATZXMPUEFQRHT-MSOLQXFVSA-N 2 1 369.554 0.811 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647566833 492312872 /nfs/dbraw/zinc/31/28/72/492312872.db2.gz DISQNGIWVSMIAE-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647566833 492312878 /nfs/dbraw/zinc/31/28/78/492312878.db2.gz DISQNGIWVSMIAE-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000641830485 492313012 /nfs/dbraw/zinc/31/30/12/492313012.db2.gz QVXJKOANDMOZAM-UHFFFAOYSA-N 2 1 354.495 0.603 20 0 FCADMP CN1CCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000641830485 492313017 /nfs/dbraw/zinc/31/30/17/492313017.db2.gz QVXJKOANDMOZAM-UHFFFAOYSA-N 2 1 354.495 0.603 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC000627511500 492328013 /nfs/dbraw/zinc/32/80/13/492328013.db2.gz DDAPSMGCZPFEPL-ZDUSSCGKSA-N 2 1 366.466 0.231 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[NH2+]1 ZINC000642083263 492332020 /nfs/dbraw/zinc/33/20/20/492332020.db2.gz PBTBYAFRSNVIBI-HZPDHXFCSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000642083304 492332097 /nfs/dbraw/zinc/33/20/97/492332097.db2.gz UYTAOZAZHBQATB-DZKIICNBSA-N 2 1 364.446 0.107 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195161 492340303 /nfs/dbraw/zinc/34/03/03/492340303.db2.gz BSWLJZKXCISICI-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000642222673 492342799 /nfs/dbraw/zinc/34/27/99/492342799.db2.gz SYXPNAHJAOIUJN-BZUAXINKSA-N 2 1 354.495 0.045 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642253975 492345529 /nfs/dbraw/zinc/34/55/29/492345529.db2.gz USLSQYKDGBZBTN-WMZOPIPTSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000642332354 492351849 /nfs/dbraw/zinc/35/18/49/492351849.db2.gz GGTMVWGBINBUEH-NXHRZFHOSA-N 2 1 373.501 0.039 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000642346544 492353944 /nfs/dbraw/zinc/35/39/44/492353944.db2.gz RBVZRGOTEWAEKY-ZACQAIPSSA-N 2 1 368.522 0.498 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000642394752 492356839 /nfs/dbraw/zinc/35/68/39/492356839.db2.gz MOKYZXLISODPSU-QXSJWSMHSA-N 2 1 368.522 0.576 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000642394752 492356841 /nfs/dbraw/zinc/35/68/41/492356841.db2.gz MOKYZXLISODPSU-QXSJWSMHSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H](C)O1 ZINC000642394754 492357287 /nfs/dbraw/zinc/35/72/87/492357287.db2.gz PFKNDPOOLCIDDL-FZKCQIBNSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H](C)O1 ZINC000642394754 492357289 /nfs/dbraw/zinc/35/72/89/492357289.db2.gz PFKNDPOOLCIDDL-FZKCQIBNSA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]1 ZINC000621152819 492359289 /nfs/dbraw/zinc/35/92/89/492359289.db2.gz FLKZYPIFPQQFAS-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642495874 492360058 /nfs/dbraw/zinc/36/00/58/492360058.db2.gz ZCHUBKAVBNGFDG-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP CS(=O)(=O)NC1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634713255 492362868 /nfs/dbraw/zinc/36/28/68/492362868.db2.gz SQYZCNPEOFCRAP-OFLPRAFFSA-N 2 1 353.488 0.293 20 0 FCADMP CS(=O)(=O)NC1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634713255 492362872 /nfs/dbraw/zinc/36/28/72/492362872.db2.gz SQYZCNPEOFCRAP-OFLPRAFFSA-N 2 1 353.488 0.293 20 0 FCADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634722931 492364085 /nfs/dbraw/zinc/36/40/85/492364085.db2.gz XLNYTKICXZGVRG-VQTJNVASSA-N 2 1 358.486 0.798 20 0 FCADMP Cn1cc(C[C@H](CO)C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634722931 492364089 /nfs/dbraw/zinc/36/40/89/492364089.db2.gz XLNYTKICXZGVRG-VQTJNVASSA-N 2 1 358.486 0.798 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642640159 492367970 /nfs/dbraw/zinc/36/79/70/492367970.db2.gz BAQIUCNZFGJPIY-BZUAXINKSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642640158 492368153 /nfs/dbraw/zinc/36/81/53/492368153.db2.gz BAQIUCNZFGJPIY-ARFHVFGLSA-N 2 1 354.495 0.045 20 0 FCADMP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834833 492368815 /nfs/dbraw/zinc/36/88/15/492368815.db2.gz ARGQNRICAQKJNJ-CQSZACIVSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647834833 492368819 /nfs/dbraw/zinc/36/88/19/492368819.db2.gz ARGQNRICAQKJNJ-CQSZACIVSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835279 492368827 /nfs/dbraw/zinc/36/88/27/492368827.db2.gz STIIAGKSWDPDGJ-OAHLLOKOSA-N 2 1 364.490 0.718 20 0 FCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835279 492368831 /nfs/dbraw/zinc/36/88/31/492368831.db2.gz STIIAGKSWDPDGJ-OAHLLOKOSA-N 2 1 364.490 0.718 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640946 492369059 /nfs/dbraw/zinc/36/90/59/492369059.db2.gz PTJDFMFARRXVRT-CGTJXYLNSA-N 2 1 356.470 0.491 20 0 FCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000642640889 492369207 /nfs/dbraw/zinc/36/92/07/492369207.db2.gz IWMVLRBTUUDWRN-GOSISDBHSA-N 2 1 374.485 0.262 20 0 FCADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835961 492370203 /nfs/dbraw/zinc/37/02/03/492370203.db2.gz WGUWBQWAOGHBSZ-UHFFFAOYSA-N 2 1 366.481 0.890 20 0 FCADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835961 492370207 /nfs/dbraw/zinc/37/02/07/492370207.db2.gz WGUWBQWAOGHBSZ-UHFFFAOYSA-N 2 1 366.481 0.890 20 0 FCADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835886 492370294 /nfs/dbraw/zinc/37/02/94/492370294.db2.gz SWZVTCIOPNYYEO-UHFFFAOYSA-N 2 1 362.518 0.978 20 0 FCADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835886 492370299 /nfs/dbraw/zinc/37/02/99/492370299.db2.gz SWZVTCIOPNYYEO-UHFFFAOYSA-N 2 1 362.518 0.978 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000642693377 492374592 /nfs/dbraw/zinc/37/45/92/492374592.db2.gz VVLJUWRHGVXVGB-HIFRSBDPSA-N 2 1 364.515 0.869 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000642693377 492374594 /nfs/dbraw/zinc/37/45/94/492374594.db2.gz VVLJUWRHGVXVGB-HIFRSBDPSA-N 2 1 364.515 0.869 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000642721936 492379974 /nfs/dbraw/zinc/37/99/74/492379974.db2.gz GKGMLZPMBOVISW-GOEBONIOSA-N 2 1 362.474 0.802 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000642731513 492381715 /nfs/dbraw/zinc/38/17/15/492381715.db2.gz XWMAJBUQDQREGY-GOSISDBHSA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642732920 492383141 /nfs/dbraw/zinc/38/31/41/492383141.db2.gz CLJZKHDRVBCNGP-MJGOQNOKSA-N 2 1 370.497 0.761 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750927 492384412 /nfs/dbraw/zinc/38/44/12/492384412.db2.gz XRNJDZQGPQNDAV-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744915 492384771 /nfs/dbraw/zinc/38/47/71/492384771.db2.gz NGIXQMDAILKGTJ-RYQLBKOJSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744915 492384775 /nfs/dbraw/zinc/38/47/75/492384775.db2.gz NGIXQMDAILKGTJ-RYQLBKOJSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642750890 492385043 /nfs/dbraw/zinc/38/50/43/492385043.db2.gz PDFITYWDOBVPAJ-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750929 492386105 /nfs/dbraw/zinc/38/61/05/492386105.db2.gz XRNJDZQGPQNDAV-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C(=O)NC)C3)CC2)CC1 ZINC000654991704 492388961 /nfs/dbraw/zinc/38/89/61/492388961.db2.gz BBWUQDZVPWRFJA-KRWDZBQOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000647967711 492389434 /nfs/dbraw/zinc/38/94/34/492389434.db2.gz XACDSZGUJKXGTB-GBESFXJTSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000647967711 492389437 /nfs/dbraw/zinc/38/94/37/492389437.db2.gz XACDSZGUJKXGTB-GBESFXJTSA-N 2 1 358.571 0.395 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000647967711 492389440 /nfs/dbraw/zinc/38/94/40/492389440.db2.gz XACDSZGUJKXGTB-GBESFXJTSA-N 2 1 358.571 0.395 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647978421 492390099 /nfs/dbraw/zinc/39/00/99/492390099.db2.gz ROOOSUHJWLVWQC-KZNAEPCWSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(=O)N1CCCCC1 ZINC000647983541 492390214 /nfs/dbraw/zinc/39/02/14/492390214.db2.gz HCCYCLHEMAHYGC-KYJSFNMBSA-N 2 1 366.506 0.332 20 0 FCADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978728 492390459 /nfs/dbraw/zinc/39/04/59/492390459.db2.gz XIFNJKOSJCWTFE-ROUUACIJSA-N 2 1 372.517 0.837 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000642908079 492401807 /nfs/dbraw/zinc/40/18/07/492401807.db2.gz LICRWOULSFIEEP-OAHLLOKOSA-N 2 1 354.454 0.947 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642919594 492403801 /nfs/dbraw/zinc/40/38/01/492403801.db2.gz ALDSFOYCGHWEOW-UHFFFAOYSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000642919594 492403805 /nfs/dbraw/zinc/40/38/05/492403805.db2.gz ALDSFOYCGHWEOW-UHFFFAOYSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919010 492403928 /nfs/dbraw/zinc/40/39/28/492403928.db2.gz KWMZKSHDXZHUIW-INIZCTEOSA-N 2 1 358.486 0.978 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924108 492404895 /nfs/dbraw/zinc/40/48/95/492404895.db2.gz LDKMSKBTQVCAPF-FUHWJXTLSA-N 2 1 356.470 0.588 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC000621699675 492405378 /nfs/dbraw/zinc/40/53/78/492405378.db2.gz AJJVCTGUEAWTAP-GJYPPUQNSA-N 2 1 364.490 0.040 20 0 FCADMP [NH3+]C1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCCC1 ZINC000648150637 492408552 /nfs/dbraw/zinc/40/85/52/492408552.db2.gz XIDUNLKIJVOHPS-UHFFFAOYSA-N 2 1 366.506 0.335 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000642980724 492410157 /nfs/dbraw/zinc/41/01/57/492410157.db2.gz KWYMCSVQWUTXMB-VQHPVUNQSA-N 2 1 366.506 0.345 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000642983098 492410987 /nfs/dbraw/zinc/41/09/87/492410987.db2.gz GFVFNOOGVIGECN-AEFFLSMTSA-N 2 1 356.470 0.849 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643003993 492412612 /nfs/dbraw/zinc/41/26/12/492412612.db2.gz HPPFISJVHZLRBJ-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643003995 492412700 /nfs/dbraw/zinc/41/27/00/492412700.db2.gz HPPFISJVHZLRBJ-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621838589 492421610 /nfs/dbraw/zinc/42/16/10/492421610.db2.gz GGSYZFBOOLFZQD-WPECMILSSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000621837670 492421671 /nfs/dbraw/zinc/42/16/71/492421671.db2.gz NNVVIYPPYLXBLY-KHYOSLBOSA-N 2 1 360.458 0.873 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843919 492424595 /nfs/dbraw/zinc/42/45/95/492424595.db2.gz NLDYFEUYNKRSQD-GJYPPUQNSA-N 2 1 350.507 0.955 20 0 FCADMP CCN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000643250837 492434845 /nfs/dbraw/zinc/43/48/45/492434845.db2.gz PHXQHIIQRXUCBF-SFHVURJKSA-N 2 1 372.469 0.987 20 0 FCADMP CCN1C(=O)[C@@H]2CN(Cc3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000643250837 492434848 /nfs/dbraw/zinc/43/48/48/492434848.db2.gz PHXQHIIQRXUCBF-SFHVURJKSA-N 2 1 372.469 0.987 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000622029446 492444308 /nfs/dbraw/zinc/44/43/08/492444308.db2.gz GRGWHKAZJOEGAS-YVTWGWGSSA-N 2 1 360.502 0.802 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000622089618 492453043 /nfs/dbraw/zinc/45/30/43/492453043.db2.gz NDQNCLVKXNNOQO-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000622089618 492453047 /nfs/dbraw/zinc/45/30/47/492453047.db2.gz NDQNCLVKXNNOQO-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551874 492454652 /nfs/dbraw/zinc/45/46/52/492454652.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551874 492454656 /nfs/dbraw/zinc/45/46/56/492454656.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551874 492454658 /nfs/dbraw/zinc/45/46/58/492454658.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551874 492454660 /nfs/dbraw/zinc/45/46/60/492454660.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551874 492454663 /nfs/dbraw/zinc/45/46/63/492454663.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 2 1 367.538 0.301 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648780274 492454750 /nfs/dbraw/zinc/45/47/50/492454750.db2.gz ZYHUWIHEIACCHI-WRQOLXDDSA-N 2 1 352.523 0.924 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648780274 492454755 /nfs/dbraw/zinc/45/47/55/492454755.db2.gz ZYHUWIHEIACCHI-WRQOLXDDSA-N 2 1 352.523 0.924 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648780274 492454760 /nfs/dbraw/zinc/45/47/60/492454760.db2.gz ZYHUWIHEIACCHI-WRQOLXDDSA-N 2 1 352.523 0.924 20 0 FCADMP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551065 492468822 /nfs/dbraw/zinc/46/88/22/492468822.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 2 1 366.550 0.972 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635557925 492472350 /nfs/dbraw/zinc/47/23/50/492472350.db2.gz DITGDOKQQHOHKL-UHFFFAOYSA-N 2 1 354.539 0.735 20 0 FCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000643480838 492477487 /nfs/dbraw/zinc/47/74/87/492477487.db2.gz ZMBJCHJWAWOVDX-GOSISDBHSA-N 2 1 358.486 0.571 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000643484714 492477982 /nfs/dbraw/zinc/47/79/82/492477982.db2.gz SYRXHLCZNIGOGB-UHFFFAOYSA-N 2 1 358.486 0.979 20 0 FCADMP CS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655712344 492478350 /nfs/dbraw/zinc/47/83/50/492478350.db2.gz IXUWQSBXTBRYDC-QGZVFWFLSA-N 2 1 359.536 0.891 20 0 FCADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(N2CCOCC2)CCOCC1 ZINC000655774788 492479539 /nfs/dbraw/zinc/47/95/39/492479539.db2.gz GVBZWGXIOLBROC-SFHVURJKSA-N 2 1 353.507 0.711 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000643492340 492480840 /nfs/dbraw/zinc/48/08/40/492480840.db2.gz AHIJYNROFCODCK-JKSUJKDBSA-N 2 1 357.458 0.249 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000643531749 492490512 /nfs/dbraw/zinc/49/05/12/492490512.db2.gz FSFIBHXYSZALNS-MSOLQXFVSA-N 2 1 374.485 0.296 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000643531830 492492015 /nfs/dbraw/zinc/49/20/15/492492015.db2.gz OXFUIBRWLBMHFA-SZMVWBNQSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000643539565 492493426 /nfs/dbraw/zinc/49/34/26/492493426.db2.gz ZYRZQADUHJVQLE-MRXNPFEDSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H]1C[NH3+] ZINC000643549794 492496714 /nfs/dbraw/zinc/49/67/14/492496714.db2.gz QVMZATWJXXNIBY-KYHPRHEASA-N 2 1 362.518 0.905 20 0 FCADMP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643549769 492497197 /nfs/dbraw/zinc/49/71/97/492497197.db2.gz NVZNFQVKQVMFQZ-CIRFHOKZSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@H]1C[NH3+] ZINC000643549796 492497244 /nfs/dbraw/zinc/49/72/44/492497244.db2.gz QVMZATWJXXNIBY-XLMAVXFVSA-N 2 1 362.518 0.905 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970267 492499644 /nfs/dbraw/zinc/49/96/44/492499644.db2.gz GTTQZQPHAKHNSP-NCOADZHNSA-N 2 1 353.511 0.173 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970267 492499648 /nfs/dbraw/zinc/49/96/48/492499648.db2.gz GTTQZQPHAKHNSP-NCOADZHNSA-N 2 1 353.511 0.173 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000649132986 492503416 /nfs/dbraw/zinc/50/34/16/492503416.db2.gz WHWDVRQOJFLXMB-NRFANRHFSA-N 2 1 373.497 0.947 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656028694 492521469 /nfs/dbraw/zinc/52/14/69/492521469.db2.gz OTGUKGLILHLKQA-SJORKVTESA-N 2 1 350.507 0.968 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000628584640 492525435 /nfs/dbraw/zinc/52/54/35/492525435.db2.gz MJJAOVOKKBWNBX-DLBZAZTESA-N 2 1 359.474 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000628584640 492525437 /nfs/dbraw/zinc/52/54/37/492525437.db2.gz MJJAOVOKKBWNBX-DLBZAZTESA-N 2 1 359.474 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000628584640 492525440 /nfs/dbraw/zinc/52/54/40/492525440.db2.gz MJJAOVOKKBWNBX-DLBZAZTESA-N 2 1 359.474 0.502 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000628584640 492525443 /nfs/dbraw/zinc/52/54/43/492525443.db2.gz MJJAOVOKKBWNBX-DLBZAZTESA-N 2 1 359.474 0.502 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000649350250 492544884 /nfs/dbraw/zinc/54/48/84/492544884.db2.gz UUMTWVWCFNSHCZ-CQSZACIVSA-N 2 1 368.432 0.350 20 0 FCADMP CN(C(=O)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000649412363 492552342 /nfs/dbraw/zinc/55/23/42/492552342.db2.gz DECUSZNAFKBQLX-UHFFFAOYSA-N 2 1 351.539 0.300 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc21 ZINC000636141469 492557290 /nfs/dbraw/zinc/55/72/90/492557290.db2.gz XMKPNEONDPSTOM-LSDHHAIUSA-N 2 1 373.457 0.195 20 0 FCADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571908 492568672 /nfs/dbraw/zinc/56/86/72/492568672.db2.gz LMABFHBKMQVEPY-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571908 492568674 /nfs/dbraw/zinc/56/86/74/492568674.db2.gz LMABFHBKMQVEPY-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000623571908 492568678 /nfs/dbraw/zinc/56/86/78/492568678.db2.gz LMABFHBKMQVEPY-HOTGVXAUSA-N 2 1 353.511 0.605 20 0 FCADMP CCC(CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000636522787 492609507 /nfs/dbraw/zinc/60/95/07/492609507.db2.gz NGMFGSKOJZKQJM-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656357859 492611543 /nfs/dbraw/zinc/61/15/43/492611543.db2.gz HHYYHMDMDJZIJY-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656357859 492611546 /nfs/dbraw/zinc/61/15/46/492611546.db2.gz HHYYHMDMDJZIJY-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656357859 492611551 /nfs/dbraw/zinc/61/15/51/492611551.db2.gz HHYYHMDMDJZIJY-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656357789 492612114 /nfs/dbraw/zinc/61/21/14/492612114.db2.gz HEPXOBAUTCEEMQ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656357789 492612118 /nfs/dbraw/zinc/61/21/18/492612118.db2.gz HEPXOBAUTCEEMQ-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359334 492613587 /nfs/dbraw/zinc/61/35/87/492613587.db2.gz OUEBTLFRKWJBCN-ZWKOTPCHSA-N 2 1 371.485 0.863 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000629419659 492624785 /nfs/dbraw/zinc/62/47/85/492624785.db2.gz QUMBSVARSXPFCJ-QGZVFWFLSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699408 492643573 /nfs/dbraw/zinc/64/35/73/492643573.db2.gz LIYVWRUKVDUTII-YLJYHZDGSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000656699408 492643576 /nfs/dbraw/zinc/64/35/76/492643576.db2.gz LIYVWRUKVDUTII-YLJYHZDGSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000656699408 492643579 /nfs/dbraw/zinc/64/35/79/492643579.db2.gz LIYVWRUKVDUTII-YLJYHZDGSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699405 492643738 /nfs/dbraw/zinc/64/37/38/492643738.db2.gz LIYVWRUKVDUTII-FXAWDEMLSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000656699405 492643739 /nfs/dbraw/zinc/64/37/39/492643739.db2.gz LIYVWRUKVDUTII-FXAWDEMLSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000656699405 492643740 /nfs/dbraw/zinc/64/37/40/492643740.db2.gz LIYVWRUKVDUTII-FXAWDEMLSA-N 2 1 374.485 0.884 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561740 492645295 /nfs/dbraw/zinc/64/52/95/492645295.db2.gz ZCZORRHYDHXAQN-WOJBJXKFSA-N 2 1 374.529 0.930 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563484 492645443 /nfs/dbraw/zinc/64/54/43/492645443.db2.gz QXXYBSWZBNPQHO-MELADBBJSA-N 2 1 350.429 0.998 20 0 FCADMP Cc1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])n(-c2nc(C)cc(C)n2)n1 ZINC000629573405 492650749 /nfs/dbraw/zinc/65/07/49/492650749.db2.gz BHNIVMAHNFGREN-UHFFFAOYSA-N 2 1 361.450 0.433 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])n(-c2nc(C)cc(C)n2)n1 ZINC000629573405 492650753 /nfs/dbraw/zinc/65/07/53/492650753.db2.gz BHNIVMAHNFGREN-UHFFFAOYSA-N 2 1 361.450 0.433 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000629578968 492655312 /nfs/dbraw/zinc/65/53/12/492655312.db2.gz YDHZSNQUPRSJQC-UHFFFAOYSA-N 2 1 368.909 0.891 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000629578968 492655317 /nfs/dbraw/zinc/65/53/17/492655317.db2.gz YDHZSNQUPRSJQC-UHFFFAOYSA-N 2 1 368.909 0.891 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162150 492656220 /nfs/dbraw/zinc/65/62/20/492656220.db2.gz BFNBZXVWGIABJX-PKOBYXMFSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162150 492656222 /nfs/dbraw/zinc/65/62/22/492656222.db2.gz BFNBZXVWGIABJX-PKOBYXMFSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162150 492656224 /nfs/dbraw/zinc/65/62/24/492656224.db2.gz BFNBZXVWGIABJX-PKOBYXMFSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581626 492656926 /nfs/dbraw/zinc/65/69/26/492656926.db2.gz DTNRPEVXCGXBJP-IBGZPJMESA-N 2 1 360.502 0.872 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000644194635 492665478 /nfs/dbraw/zinc/66/54/78/492665478.db2.gz UGFSKRMKFOJVAM-SFHVURJKSA-N 2 1 373.501 0.631 20 0 FCADMP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)c(NCC[N@H+]2CC[C@@H](O)C2)nc1C ZINC000624678019 492670864 /nfs/dbraw/zinc/67/08/64/492670864.db2.gz BWDGNTZREWLXMF-HZPDHXFCSA-N 2 1 364.494 0.050 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@@H]3[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000644228833 492673970 /nfs/dbraw/zinc/67/39/70/492673970.db2.gz TUTIOHXSVILVPF-NUJGCVRESA-N 2 1 373.501 0.551 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650857734 492676927 /nfs/dbraw/zinc/67/69/27/492676927.db2.gz CSSBOEHNWJBJNV-OAHLLOKOSA-N 2 1 354.495 0.336 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650857734 492676929 /nfs/dbraw/zinc/67/69/29/492676929.db2.gz CSSBOEHNWJBJNV-OAHLLOKOSA-N 2 1 354.495 0.336 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000650892214 492682677 /nfs/dbraw/zinc/68/26/77/492682677.db2.gz HYMKGBFYYYWCDU-MRXNPFEDSA-N 2 1 353.511 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000629813641 492686375 /nfs/dbraw/zinc/68/63/75/492686375.db2.gz LCIWQGDTQWLYIT-YVECIDJPSA-N 2 1 364.412 0.523 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000629813641 492686377 /nfs/dbraw/zinc/68/63/77/492686377.db2.gz LCIWQGDTQWLYIT-YVECIDJPSA-N 2 1 364.412 0.523 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644291249 492692841 /nfs/dbraw/zinc/69/28/41/492692841.db2.gz UXIMSOMOHXXKSQ-BBWFWOEESA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644291249 492692843 /nfs/dbraw/zinc/69/28/43/492692843.db2.gz UXIMSOMOHXXKSQ-BBWFWOEESA-N 2 1 367.538 0.299 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644291249 492692847 /nfs/dbraw/zinc/69/28/47/492692847.db2.gz UXIMSOMOHXXKSQ-BBWFWOEESA-N 2 1 367.538 0.299 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000651150523 492715072 /nfs/dbraw/zinc/71/50/72/492715072.db2.gz WGOFLUJSXDGULT-UHFFFAOYSA-N 2 1 368.522 0.995 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000651228946 492724226 /nfs/dbraw/zinc/72/42/26/492724226.db2.gz BJXUNLVKJBPEOS-DOTOQJQBSA-N 2 1 361.490 0.813 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000651228946 492724230 /nfs/dbraw/zinc/72/42/30/492724230.db2.gz BJXUNLVKJBPEOS-DOTOQJQBSA-N 2 1 361.490 0.813 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)n1C ZINC000644427056 492748375 /nfs/dbraw/zinc/74/83/75/492748375.db2.gz GJGASHGYVXEJRB-KFWWJZLASA-N 2 1 350.467 0.273 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)n1C ZINC000644427056 492748376 /nfs/dbraw/zinc/74/83/76/492748376.db2.gz GJGASHGYVXEJRB-KFWWJZLASA-N 2 1 350.467 0.273 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCCOCC1 ZINC000651543768 492777729 /nfs/dbraw/zinc/77/77/29/492777729.db2.gz GHEUVOAIJRMLCQ-MRXNPFEDSA-N 2 1 362.540 0.301 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000644528649 492782326 /nfs/dbraw/zinc/78/23/26/492782326.db2.gz HMBQUFGYHNHINY-HNNXBMFYSA-N 2 1 361.442 0.344 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCN1CCCS1(=O)=O ZINC000644536933 492782595 /nfs/dbraw/zinc/78/25/95/492782595.db2.gz MXCMJSBRFQANRK-KRWDZBQOSA-N 2 1 355.504 0.495 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCN1CCCS1(=O)=O ZINC000644536933 492782598 /nfs/dbraw/zinc/78/25/98/492782598.db2.gz MXCMJSBRFQANRK-KRWDZBQOSA-N 2 1 355.504 0.495 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375357 492815052 /nfs/dbraw/zinc/81/50/52/492815052.db2.gz IWHZSAJHJQRZNH-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375357 492815054 /nfs/dbraw/zinc/81/50/54/492815054.db2.gz IWHZSAJHJQRZNH-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC[C@@H]21 ZINC000637375357 492815056 /nfs/dbraw/zinc/81/50/56/492815056.db2.gz IWHZSAJHJQRZNH-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000637389518 492818438 /nfs/dbraw/zinc/81/84/38/492818438.db2.gz IXVOSUUDTAXRDM-SZMVWBNQSA-N 2 1 362.474 0.586 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000637389518 492818440 /nfs/dbraw/zinc/81/84/40/492818440.db2.gz IXVOSUUDTAXRDM-SZMVWBNQSA-N 2 1 362.474 0.586 20 0 FCADMP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000631749103 492846634 /nfs/dbraw/zinc/84/66/34/492846634.db2.gz NNGTWCCHYIHNRH-IAGOWNOFSA-N 2 1 360.568 0.664 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000631852559 492863823 /nfs/dbraw/zinc/86/38/23/492863823.db2.gz VMKLOECZPNUKIX-UHFFFAOYSA-N 3 1 369.535 0.465 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813457 492869269 /nfs/dbraw/zinc/86/92/69/492869269.db2.gz AGCQIAICGVWOIS-LJQANCHMSA-N 2 1 372.513 0.831 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000637819853 492870467 /nfs/dbraw/zinc/87/04/67/492870467.db2.gz RQTVOQPUZYCZGX-ZWKOTPCHSA-N 2 1 358.486 0.822 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCC[NH+]3CCOCC3)C2)C1 ZINC000652117800 492883066 /nfs/dbraw/zinc/88/30/66/492883066.db2.gz YWDNFZPFIWDAQY-ZACQAIPSSA-N 2 1 354.495 0.637 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000637952801 492884161 /nfs/dbraw/zinc/88/41/61/492884161.db2.gz LPBAVWMRSAVPJE-HIFRSBDPSA-N 2 1 367.412 0.867 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652159167 492888792 /nfs/dbraw/zinc/88/87/92/492888792.db2.gz SMZRTKNLDHWXJR-YESZJQIVSA-N 2 1 356.511 0.883 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000625853910 492894758 /nfs/dbraw/zinc/89/47/58/492894758.db2.gz MMZBAZQOYQSNAN-CQSZACIVSA-N 2 1 361.446 0.566 20 0 FCADMP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000638071333 492900145 /nfs/dbraw/zinc/90/01/45/492900145.db2.gz HPVUARSPAFIQAJ-GFCCVEGCSA-N 2 1 354.405 0.918 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638078152 492900606 /nfs/dbraw/zinc/90/06/06/492900606.db2.gz DTQFILXCSWQEHH-APWZRJJASA-N 2 1 360.458 0.780 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638077779 492900723 /nfs/dbraw/zinc/90/07/23/492900723.db2.gz ARDDHUJISQYNFX-YLJYHZDGSA-N 2 1 374.485 0.709 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000632001901 492908086 /nfs/dbraw/zinc/90/80/86/492908086.db2.gz GFNIPZQHNSMNTC-QGZVFWFLSA-N 2 1 355.504 0.277 20 0 FCADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000632001901 492908089 /nfs/dbraw/zinc/90/80/89/492908089.db2.gz GFNIPZQHNSMNTC-QGZVFWFLSA-N 2 1 355.504 0.277 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000632018853 492911152 /nfs/dbraw/zinc/91/11/52/492911152.db2.gz KMCKJZDZNNERDK-DLBZAZTESA-N 2 1 360.568 0.758 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348165 492912955 /nfs/dbraw/zinc/91/29/55/492912955.db2.gz WGJJZDMOODWHLC-HMDCTGQHSA-N 2 1 366.506 0.317 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348462 492913026 /nfs/dbraw/zinc/91/30/26/492913026.db2.gz FGWABOUVCDHGQU-WNRNVDISSA-N 2 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348462 492913028 /nfs/dbraw/zinc/91/30/28/492913028.db2.gz FGWABOUVCDHGQU-WNRNVDISSA-N 3 1 352.523 0.757 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348462 492913030 /nfs/dbraw/zinc/91/30/30/492913030.db2.gz FGWABOUVCDHGQU-WNRNVDISSA-N 3 1 352.523 0.757 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652347971 492913649 /nfs/dbraw/zinc/91/36/49/492913649.db2.gz QLNFPZIYAPBVBG-BSDSXHPESA-N 2 1 366.506 0.332 20 0 FCADMP C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000645494536 492914284 /nfs/dbraw/zinc/91/42/84/492914284.db2.gz RBWBCZWEQDYAQE-MRXNPFEDSA-N 2 1 371.489 0.567 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361325 492916332 /nfs/dbraw/zinc/91/63/32/492916332.db2.gz DBZSIQDQDHKWCZ-OAGGEKHMSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)NCC(=O)N2CCCC2)C1 ZINC000652361325 492916336 /nfs/dbraw/zinc/91/63/36/492916336.db2.gz DBZSIQDQDHKWCZ-OAGGEKHMSA-N 2 1 352.479 0.086 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638140240 492916635 /nfs/dbraw/zinc/91/66/35/492916635.db2.gz XQAXJTMVAHIXJP-UHFFFAOYSA-N 2 1 361.490 0.157 20 0 FCADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638141427 492916723 /nfs/dbraw/zinc/91/67/23/492916723.db2.gz UHTMOJIPFZJGTQ-MJGOQNOKSA-N 2 1 361.490 0.477 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)CC1 ZINC000632125514 492935496 /nfs/dbraw/zinc/93/54/96/492935496.db2.gz NYKBSUFBOADNQR-UHFFFAOYSA-N 2 1 372.579 0.901 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652477325 492946206 /nfs/dbraw/zinc/94/62/06/492946206.db2.gz QSJXRKSSMRZVQR-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652477325 492946211 /nfs/dbraw/zinc/94/62/11/492946211.db2.gz QSJXRKSSMRZVQR-MRXNPFEDSA-N 2 1 368.522 0.234 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000638439458 492947856 /nfs/dbraw/zinc/94/78/56/492947856.db2.gz IDUAOJHSWQMBPF-HOTGVXAUSA-N 2 1 360.506 0.867 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000652547507 492967309 /nfs/dbraw/zinc/96/73/09/492967309.db2.gz LJFKHISOHFJCSS-IBGZPJMESA-N 2 1 350.507 0.875 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786896 492974835 /nfs/dbraw/zinc/97/48/35/492974835.db2.gz IDWGFJFOAFNNEB-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786897 492975135 /nfs/dbraw/zinc/97/51/35/492975135.db2.gz IDWGFJFOAFNNEB-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638753514 492976386 /nfs/dbraw/zinc/97/63/86/492976386.db2.gz XJGLOOABBPIDDB-FUHWJXTLSA-N 2 1 369.473 0.736 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638754741 492976943 /nfs/dbraw/zinc/97/69/43/492976943.db2.gz DLARFJNOBSOLPC-WMZOPIPTSA-N 2 1 354.458 0.951 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000658613560 492980987 /nfs/dbraw/zinc/98/09/87/492980987.db2.gz MTMILPFHZXGNLA-DLBZAZTESA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658613560 492980989 /nfs/dbraw/zinc/98/09/89/492980989.db2.gz MTMILPFHZXGNLA-DLBZAZTESA-N 2 1 368.522 0.354 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652680927 492987925 /nfs/dbraw/zinc/98/79/25/492987925.db2.gz VIOPHWIOPUBSFK-YESZJQIVSA-N 2 1 368.522 0.579 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652683368 492989945 /nfs/dbraw/zinc/98/99/45/492989945.db2.gz LSDLOOITFXWOFP-UHFFFAOYSA-N 2 1 367.538 0.026 20 0 FCADMP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000645952740 492992130 /nfs/dbraw/zinc/99/21/30/492992130.db2.gz MPUFPKDIEYPMMD-DLBZAZTESA-N 2 1 358.486 0.998 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652697535 492992583 /nfs/dbraw/zinc/99/25/83/492992583.db2.gz HIYPQINQQFIPPA-OWCLPIDISA-N 2 1 358.486 0.832 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652697535 492992587 /nfs/dbraw/zinc/99/25/87/492992587.db2.gz HIYPQINQQFIPPA-OWCLPIDISA-N 2 1 358.486 0.832 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652697009 492992779 /nfs/dbraw/zinc/99/27/79/492992779.db2.gz VSGUMDNCOAFEFH-WDSOQIARSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652697009 492992782 /nfs/dbraw/zinc/99/27/82/492992782.db2.gz VSGUMDNCOAFEFH-WDSOQIARSA-N 2 1 372.513 0.876 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003164 492998907 /nfs/dbraw/zinc/99/89/07/492998907.db2.gz VCVINLINPWAVDG-ROUUACIJSA-N 2 1 360.506 0.660 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639171548 493000659 /nfs/dbraw/zinc/00/06/59/493000659.db2.gz WGMAHKBAQAEEBX-CQSZACIVSA-N 2 1 358.508 0.775 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000652723546 493003756 /nfs/dbraw/zinc/00/37/56/493003756.db2.gz CQSSDKDHPLBTGR-UHFFFAOYSA-N 2 1 350.507 0.969 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652726659 493006088 /nfs/dbraw/zinc/00/60/88/493006088.db2.gz GZHNGWAGSWPQOM-ULQDDVLXSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736239 493011895 /nfs/dbraw/zinc/01/18/95/493011895.db2.gz BLKVNUWFPWODDA-WDSOQIARSA-N 2 1 372.513 0.958 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736239 493011899 /nfs/dbraw/zinc/01/18/99/493011899.db2.gz BLKVNUWFPWODDA-WDSOQIARSA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736197 493012130 /nfs/dbraw/zinc/01/21/30/493012130.db2.gz AKMVEVIQMODFPR-KRWDZBQOSA-N 2 1 358.486 0.712 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736197 493012135 /nfs/dbraw/zinc/01/21/35/493012135.db2.gz AKMVEVIQMODFPR-KRWDZBQOSA-N 2 1 358.486 0.712 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736784 493013472 /nfs/dbraw/zinc/01/34/72/493013472.db2.gz PEEZATQSQDSRON-NJAFHUGGSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736784 493013477 /nfs/dbraw/zinc/01/34/77/493013477.db2.gz PEEZATQSQDSRON-NJAFHUGGSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736783 493013758 /nfs/dbraw/zinc/01/37/58/493013758.db2.gz PEEZATQSQDSRON-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736783 493013760 /nfs/dbraw/zinc/01/37/60/493013760.db2.gz PEEZATQSQDSRON-KBAYOESNSA-N 2 1 358.486 0.567 20 0 FCADMP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000646139755 493018215 /nfs/dbraw/zinc/01/82/15/493018215.db2.gz YWLJNRMUGJLSGB-IXDOHACOSA-N 2 1 359.536 0.338 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cn1 ZINC000632529996 493022542 /nfs/dbraw/zinc/02/25/42/493022542.db2.gz DSRNBFSDGLYHEV-UHFFFAOYSA-N 2 1 350.511 0.591 20 0 FCADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCO1 ZINC000658712397 493023256 /nfs/dbraw/zinc/02/32/56/493023256.db2.gz VHPFEHZGEAWSQG-ZACQAIPSSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC000652883878 493031998 /nfs/dbraw/zinc/03/19/98/493031998.db2.gz XTFNRPQXDUIZNL-RBUKOAKNSA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC000652883878 493031999 /nfs/dbraw/zinc/03/19/99/493031999.db2.gz XTFNRPQXDUIZNL-RBUKOAKNSA-N 2 1 372.513 0.782 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626975500 493072699 /nfs/dbraw/zinc/07/26/99/493072699.db2.gz YACKFCSVHSWPJC-XQQFMLRXSA-N 2 1 351.417 0.401 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626980309 493073446 /nfs/dbraw/zinc/07/34/46/493073446.db2.gz QNTRRZPSQBGULB-SJORKVTESA-N 2 1 353.511 0.032 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000626982235 493074648 /nfs/dbraw/zinc/07/46/48/493074648.db2.gz DDVMICLYPLJNPW-AGIUHOORSA-N 2 1 352.401 0.876 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC000653123945 493074941 /nfs/dbraw/zinc/07/49/41/493074941.db2.gz MCLMOJVTUQFGMI-JXFKEZNVSA-N 2 1 372.469 0.178 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653124612 493075182 /nfs/dbraw/zinc/07/51/82/493075182.db2.gz BUAIZRWHICNVGJ-FPOVZHCZSA-N 2 1 372.513 0.676 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000627003166 493078822 /nfs/dbraw/zinc/07/88/22/493078822.db2.gz IGRXVFHIVZOJFY-BHYGNILZSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003166 493078826 /nfs/dbraw/zinc/07/88/26/493078826.db2.gz IGRXVFHIVZOJFY-BHYGNILZSA-N 2 1 354.495 0.506 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC000627058851 493084579 /nfs/dbraw/zinc/08/45/79/493084579.db2.gz DINQEBJYRVFTMZ-HDICACEKSA-N 2 1 366.506 0.509 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOCC1 ZINC000627116804 493090167 /nfs/dbraw/zinc/09/01/67/493090167.db2.gz NMPWPLAEXCKISZ-HUUCEWRRSA-N 2 1 352.479 0.437 20 0 FCADMP CC(C)N1CC[NH+](C2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000627187541 493104425 /nfs/dbraw/zinc/10/44/25/493104425.db2.gz GSSTYAISFPUOQU-MRXNPFEDSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC[N@H+](C2CCC2)C1 ZINC000627233323 493114032 /nfs/dbraw/zinc/11/40/32/493114032.db2.gz DVBIJUBAHKRXNT-RHSMWYFYSA-N 2 1 361.494 0.828 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633077761 493116565 /nfs/dbraw/zinc/11/65/65/493116565.db2.gz DEHGEYGCNFUYHL-KDURUIRLSA-N 2 1 370.497 0.992 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627248429 493117057 /nfs/dbraw/zinc/11/70/57/493117057.db2.gz GWQKYEAVVCEEAJ-MRXNPFEDSA-N 2 1 351.495 0.324 20 0 FCADMP Cc1csc2nc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)cc(=O)n12 ZINC000640838405 493135395 /nfs/dbraw/zinc/13/53/95/493135395.db2.gz KFOLQYGLDVROIB-UHFFFAOYSA-N 2 1 373.486 0.670 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633149381 493136445 /nfs/dbraw/zinc/13/64/45/493136445.db2.gz XFWDPQMGMAWWQK-KBAYOESNSA-N 2 1 358.486 0.915 20 0 FCADMP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974855 493137574 /nfs/dbraw/zinc/13/75/74/493137574.db2.gz GXYICAYRXFDHSO-MRXNPFEDSA-N 2 1 359.474 0.449 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627296163 493139233 /nfs/dbraw/zinc/13/92/33/493139233.db2.gz YERZJEGQQOLZOI-HUUCEWRRSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000627296980 493139673 /nfs/dbraw/zinc/13/96/73/493139673.db2.gz YUVHDTUCZOQSRE-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@H]([NH3+])c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640868396 493140972 /nfs/dbraw/zinc/14/09/72/493140972.db2.gz GAPLERPURYZHTM-HNNXBMFYSA-N 2 1 364.494 0.839 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647021449 493146302 /nfs/dbraw/zinc/14/63/02/493146302.db2.gz PHZUUFBVUMHEDU-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647021449 493146305 /nfs/dbraw/zinc/14/63/05/493146305.db2.gz PHZUUFBVUMHEDU-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312474 493146795 /nfs/dbraw/zinc/14/67/95/493146795.db2.gz ZKLBQGNKPBUMDL-YVSFHVDLSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)O[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000647035144 493149897 /nfs/dbraw/zinc/14/98/97/493149897.db2.gz XRHWHTJZYRWYEP-DOTOQJQBSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)O[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000647035144 493149900 /nfs/dbraw/zinc/14/99/00/493149900.db2.gz XRHWHTJZYRWYEP-DOTOQJQBSA-N 2 1 366.506 0.297 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000627326532 493154447 /nfs/dbraw/zinc/15/44/47/493154447.db2.gz SJUMRNXJALOAMA-KRWDZBQOSA-N 2 1 362.474 0.201 20 0 FCADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000633481566 493159103 /nfs/dbraw/zinc/15/91/03/493159103.db2.gz VCRVBPYYCNGKEX-QUCCMNQESA-N 2 1 361.486 0.586 20 0 FCADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653732000 493173588 /nfs/dbraw/zinc/17/35/88/493173588.db2.gz PXEQLWFGHGDQQC-ZWKOTPCHSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653732000 493173590 /nfs/dbraw/zinc/17/35/90/493173590.db2.gz PXEQLWFGHGDQQC-ZWKOTPCHSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653732000 493173596 /nfs/dbraw/zinc/17/35/96/493173596.db2.gz PXEQLWFGHGDQQC-ZWKOTPCHSA-N 2 1 366.506 0.555 20 0 FCADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000653732000 493173601 /nfs/dbraw/zinc/17/36/01/493173601.db2.gz PXEQLWFGHGDQQC-ZWKOTPCHSA-N 2 1 366.506 0.555 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627360998 493177734 /nfs/dbraw/zinc/17/77/34/493177734.db2.gz CBTYAQHHQKZVOL-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627360998 493177739 /nfs/dbraw/zinc/17/77/39/493177739.db2.gz CBTYAQHHQKZVOL-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)COCc3ccccc3)nn2)CC1 ZINC000641197050 493177926 /nfs/dbraw/zinc/17/79/26/493177926.db2.gz KBCIITLSVIRTOF-IBGZPJMESA-N 2 1 359.474 0.821 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)C1 ZINC000659246282 493179166 /nfs/dbraw/zinc/17/91/66/493179166.db2.gz ISCMLJPMQJOWNK-QGZVFWFLSA-N 2 1 364.534 0.901 20 0 FCADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@@H+](C)C3CC3)nn2)c1 ZINC000641222881 493182763 /nfs/dbraw/zinc/18/27/63/493182763.db2.gz OHJQPFBPVRKSHK-INIZCTEOSA-N 2 1 358.446 0.558 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1C ZINC000672525174 493191205 /nfs/dbraw/zinc/19/12/05/493191205.db2.gz NYVZDOGARIISFL-CQSZACIVSA-N 2 1 362.478 0.189 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000659503055 493199949 /nfs/dbraw/zinc/19/99/49/493199949.db2.gz LJNUXCBBCITYMH-HRCADAONSA-N 2 1 359.474 0.772 20 0 FCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000659503055 493199956 /nfs/dbraw/zinc/19/99/56/493199956.db2.gz LJNUXCBBCITYMH-HRCADAONSA-N 2 1 359.474 0.772 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000659503054 493200325 /nfs/dbraw/zinc/20/03/25/493200325.db2.gz LJNUXCBBCITYMH-ARFHVFGLSA-N 2 1 359.474 0.772 20 0 FCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000659503054 493200331 /nfs/dbraw/zinc/20/03/31/493200331.db2.gz LJNUXCBBCITYMH-ARFHVFGLSA-N 2 1 359.474 0.772 20 0 FCADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000627401932 493203966 /nfs/dbraw/zinc/20/39/66/493203966.db2.gz OGXZLJZVLHKSGL-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000627401932 493203968 /nfs/dbraw/zinc/20/39/68/493203968.db2.gz OGXZLJZVLHKSGL-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659616307 493220986 /nfs/dbraw/zinc/22/09/86/493220986.db2.gz FPRZVIGSULRSCV-UHFFFAOYSA-N 2 1 363.506 0.324 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000666928172 493238753 /nfs/dbraw/zinc/23/87/53/493238753.db2.gz GLNLKRMCITZFQX-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000666928172 493238756 /nfs/dbraw/zinc/23/87/56/493238756.db2.gz GLNLKRMCITZFQX-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666976187 493244648 /nfs/dbraw/zinc/24/46/48/493244648.db2.gz DHBFZSZHWCFSPE-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666976187 493244652 /nfs/dbraw/zinc/24/46/52/493244652.db2.gz DHBFZSZHWCFSPE-KRWDZBQOSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000659675583 493245328 /nfs/dbraw/zinc/24/53/28/493245328.db2.gz WADMAOHZYZXUKS-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000659682261 493248901 /nfs/dbraw/zinc/24/89/01/493248901.db2.gz IHIBTCSRICRLNC-HUUCEWRRSA-N 2 1 356.511 0.435 20 0 FCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000659688340 493254596 /nfs/dbraw/zinc/25/45/96/493254596.db2.gz XVPUCVNHIUKIRB-YDZRNGNQSA-N 2 1 370.497 0.881 20 0 FCADMP CC1(C)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1CCO ZINC000672837623 493256226 /nfs/dbraw/zinc/25/62/26/493256226.db2.gz IEJCLUITAWOGJL-UHFFFAOYSA-N 2 1 368.522 0.730 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659707791 493265356 /nfs/dbraw/zinc/26/53/56/493265356.db2.gz YXJKIOJFCPJJEP-KRWDZBQOSA-N 2 1 366.506 0.063 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672917237 493265884 /nfs/dbraw/zinc/26/58/84/493265884.db2.gz QUCAJKDKFAOJPE-UHFFFAOYSA-N 2 1 370.538 0.974 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711610 493268030 /nfs/dbraw/zinc/26/80/30/493268030.db2.gz BJYZTBWIIGECMB-SFHVURJKSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000682092921 493269083 /nfs/dbraw/zinc/26/90/83/493269083.db2.gz DMHTZBKUSUXGKZ-YOEHRIQHSA-N 2 1 362.474 0.565 20 0 FCADMP C[C@H](NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682092921 493269086 /nfs/dbraw/zinc/26/90/86/493269086.db2.gz DMHTZBKUSUXGKZ-YOEHRIQHSA-N 2 1 362.474 0.565 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1CCOC ZINC000659733701 493277972 /nfs/dbraw/zinc/27/79/72/493277972.db2.gz FRVKVVGOJVUKFQ-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1CCOC ZINC000659733701 493277975 /nfs/dbraw/zinc/27/79/75/493277975.db2.gz FRVKVVGOJVUKFQ-HNNXBMFYSA-N 2 1 354.495 0.333 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000659735879 493278591 /nfs/dbraw/zinc/27/85/91/493278591.db2.gz KIWPKNLHLOMDJF-PMPSAXMXSA-N 2 1 350.507 0.953 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739458 493280480 /nfs/dbraw/zinc/28/04/80/493280480.db2.gz USXHPLIXALAZLC-IRXDYDNUSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308362 493316290 /nfs/dbraw/zinc/31/62/90/493316290.db2.gz PUCPVLWAQHFJRL-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000673308362 493316291 /nfs/dbraw/zinc/31/62/91/493316291.db2.gz PUCPVLWAQHFJRL-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000673351075 493320505 /nfs/dbraw/zinc/32/05/05/493320505.db2.gz JGODILIHVIPVHE-WBVHZDCISA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000673428025 493327711 /nfs/dbraw/zinc/32/77/11/493327711.db2.gz SMRWLVDZNGHARL-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000673428025 493327713 /nfs/dbraw/zinc/32/77/13/493327713.db2.gz SMRWLVDZNGHARL-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000673428025 493327715 /nfs/dbraw/zinc/32/77/15/493327715.db2.gz SMRWLVDZNGHARL-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@H+]1C1CC1 ZINC000683870195 493375635 /nfs/dbraw/zinc/37/56/35/493375635.db2.gz DUODDMBHRSQBBA-KBPBESRZSA-N 2 1 374.489 0.830 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668557004 493375705 /nfs/dbraw/zinc/37/57/05/493375705.db2.gz DMAMJIKLXLXSPL-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668557004 493375708 /nfs/dbraw/zinc/37/57/08/493375708.db2.gz DMAMJIKLXLXSPL-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668557004 493375712 /nfs/dbraw/zinc/37/57/12/493375712.db2.gz DMAMJIKLXLXSPL-INIZCTEOSA-N 2 1 368.522 0.594 20 0 FCADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000683871559 493375767 /nfs/dbraw/zinc/37/57/67/493375767.db2.gz RCICMHVYHVCTHY-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000683871559 493375771 /nfs/dbraw/zinc/37/57/71/493375771.db2.gz RCICMHVYHVCTHY-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853371 493386808 /nfs/dbraw/zinc/38/68/08/493386808.db2.gz WPQRIXNIWSTPPT-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853371 493386809 /nfs/dbraw/zinc/38/68/09/493386809.db2.gz WPQRIXNIWSTPPT-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP CCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853371 493386811 /nfs/dbraw/zinc/38/68/11/493386811.db2.gz WPQRIXNIWSTPPT-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000668657368 493392380 /nfs/dbraw/zinc/39/23/80/493392380.db2.gz ONCKGDWOGUDXJE-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657368 493392381 /nfs/dbraw/zinc/39/23/81/493392381.db2.gz ONCKGDWOGUDXJE-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657368 493392382 /nfs/dbraw/zinc/39/23/82/493392382.db2.gz ONCKGDWOGUDXJE-IBGZPJMESA-N 2 1 372.513 0.972 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000661024890 493403387 /nfs/dbraw/zinc/40/33/87/493403387.db2.gz IEWQIQIKCUIBAW-QGZVFWFLSA-N 2 1 367.538 0.023 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036561 493403915 /nfs/dbraw/zinc/40/39/15/493403915.db2.gz JZXWIHTYISDKMN-SJLPKXTDSA-N 2 1 367.538 0.565 20 0 FCADMP COC1CC[NH+](CCNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000674329789 493408564 /nfs/dbraw/zinc/40/85/64/493408564.db2.gz OCJFXEQWVCMPEL-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668777301 493408971 /nfs/dbraw/zinc/40/89/71/493408971.db2.gz USJRVBBIALVYSU-ZBFHGGJFSA-N 2 1 354.495 0.202 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841169 493419551 /nfs/dbraw/zinc/41/95/51/493419551.db2.gz HGBKWEVYOBYBDC-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000668841169 493419553 /nfs/dbraw/zinc/41/95/53/493419553.db2.gz HGBKWEVYOBYBDC-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000668841169 493419554 /nfs/dbraw/zinc/41/95/54/493419554.db2.gz HGBKWEVYOBYBDC-HZPDHXFCSA-N 2 1 366.506 0.347 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661511509 493443726 /nfs/dbraw/zinc/44/37/26/493443726.db2.gz HGHVONMPCLOIFL-HNNXBMFYSA-N 2 1 356.511 0.848 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661511509 493443727 /nfs/dbraw/zinc/44/37/27/493443727.db2.gz HGHVONMPCLOIFL-HNNXBMFYSA-N 2 1 356.511 0.848 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000669028411 493454156 /nfs/dbraw/zinc/45/41/56/493454156.db2.gz BKLVRORPXLNDTN-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CCOC)CC1 ZINC000669131813 493466482 /nfs/dbraw/zinc/46/64/82/493466482.db2.gz VWUMHTDHJVCYBW-CVEARBPZSA-N 2 1 364.494 0.602 20 0 FCADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CCOC)CC1 ZINC000669131813 493466485 /nfs/dbraw/zinc/46/64/85/493466485.db2.gz VWUMHTDHJVCYBW-CVEARBPZSA-N 2 1 364.494 0.602 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000685310748 493474486 /nfs/dbraw/zinc/47/44/86/493474486.db2.gz IETOVUPLGULMDG-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000685310748 493474487 /nfs/dbraw/zinc/47/44/87/493474487.db2.gz IETOVUPLGULMDG-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000685310748 493474489 /nfs/dbraw/zinc/47/44/89/493474489.db2.gz IETOVUPLGULMDG-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341562 493480300 /nfs/dbraw/zinc/48/03/00/493480300.db2.gz GTJBWQVUFRVODD-FPCVCCKLSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000685341562 493480304 /nfs/dbraw/zinc/48/03/04/493480304.db2.gz GTJBWQVUFRVODD-FPCVCCKLSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000685341562 493480306 /nfs/dbraw/zinc/48/03/06/493480306.db2.gz GTJBWQVUFRVODD-FPCVCCKLSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000685341562 493480308 /nfs/dbraw/zinc/48/03/08/493480308.db2.gz GTJBWQVUFRVODD-FPCVCCKLSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342102 493481550 /nfs/dbraw/zinc/48/15/50/493481550.db2.gz WOLDLPDAKGVWOT-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342102 493481551 /nfs/dbraw/zinc/48/15/51/493481551.db2.gz WOLDLPDAKGVWOT-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342102 493481552 /nfs/dbraw/zinc/48/15/52/493481552.db2.gz WOLDLPDAKGVWOT-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342102 493481553 /nfs/dbraw/zinc/48/15/53/493481553.db2.gz WOLDLPDAKGVWOT-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343610 493482439 /nfs/dbraw/zinc/48/24/39/493482439.db2.gz NLTQRTIVIGXGFX-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343610 493482442 /nfs/dbraw/zinc/48/24/42/493482442.db2.gz NLTQRTIVIGXGFX-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343312 493482498 /nfs/dbraw/zinc/48/24/98/493482498.db2.gz LXBBVKBEXPDIRV-HOCLYGCPSA-N 2 1 366.462 0.005 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343312 493482500 /nfs/dbraw/zinc/48/25/00/493482500.db2.gz LXBBVKBEXPDIRV-HOCLYGCPSA-N 2 1 366.462 0.005 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000662280878 493502322 /nfs/dbraw/zinc/50/23/22/493502322.db2.gz GREDPXKWZRIHBU-OAHLLOKOSA-N 2 1 364.475 0.482 20 0 FCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000662280878 493502324 /nfs/dbraw/zinc/50/23/24/493502324.db2.gz GREDPXKWZRIHBU-OAHLLOKOSA-N 2 1 364.475 0.482 20 0 FCADMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000662287265 493503070 /nfs/dbraw/zinc/50/30/70/493503070.db2.gz XPYQRSFETUJHAP-UHFFFAOYSA-N 2 1 364.465 0.569 20 0 FCADMP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295197 493504600 /nfs/dbraw/zinc/50/46/00/493504600.db2.gz FVKHCKPWSHZHGA-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295197 493504604 /nfs/dbraw/zinc/50/46/04/493504604.db2.gz FVKHCKPWSHZHGA-PVAVHDDUSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486532 493506275 /nfs/dbraw/zinc/50/62/75/493506275.db2.gz UPPGBQXJAQURET-YESZJQIVSA-N 2 1 353.511 0.304 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000669486488 493506515 /nfs/dbraw/zinc/50/65/15/493506515.db2.gz POQKIKHDUWZRCX-ZACQAIPSSA-N 2 1 353.511 0.019 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C[NH3+] ZINC000669486486 493506543 /nfs/dbraw/zinc/50/65/43/493506543.db2.gz POQKIKHDUWZRCX-IKGGRYGDSA-N 2 1 353.511 0.019 20 0 FCADMP C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000662386204 493511773 /nfs/dbraw/zinc/51/17/73/493511773.db2.gz XYMZNVJPPWNALC-HNNXBMFYSA-N 2 1 357.462 0.177 20 0 FCADMP [NH3+][C@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000662390766 493512251 /nfs/dbraw/zinc/51/22/51/493512251.db2.gz MVMPCPMNFVHVKM-AWEZNQCLSA-N 2 1 355.280 0.860 20 0 FCADMP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000669609994 493513974 /nfs/dbraw/zinc/51/39/74/493513974.db2.gz SYQVLJRRWBFCPT-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000669609994 493513979 /nfs/dbraw/zinc/51/39/79/493513979.db2.gz SYQVLJRRWBFCPT-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(CC[NH3+])nn3)C2)cc(OC)c1 ZINC000662496597 493521199 /nfs/dbraw/zinc/52/11/99/493521199.db2.gz MUSADLJZADRXAP-CQSZACIVSA-N 2 1 374.445 0.258 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cn(CC[NH3+])nn3)C2)cc(OC)c1 ZINC000662496597 493521202 /nfs/dbraw/zinc/52/12/02/493521202.db2.gz MUSADLJZADRXAP-CQSZACIVSA-N 2 1 374.445 0.258 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668656 493530695 /nfs/dbraw/zinc/53/06/95/493530695.db2.gz OOZVKUFXIATVOC-JKSUJKDBSA-N 2 1 364.494 0.679 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662674392 493531196 /nfs/dbraw/zinc/53/11/96/493531196.db2.gz CYCZEIKNZZCKSU-IRXDYDNUSA-N 2 1 360.458 0.054 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662693058 493532128 /nfs/dbraw/zinc/53/21/28/493532128.db2.gz SGBXKSKMIHSOOX-IAGOWNOFSA-N 2 1 360.458 0.305 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC000662721942 493534803 /nfs/dbraw/zinc/53/48/03/493534803.db2.gz FTCMPVVINKXETH-IAGOWNOFSA-N 2 1 366.506 0.143 20 0 FCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000662757453 493539047 /nfs/dbraw/zinc/53/90/47/493539047.db2.gz MQMUXSAYEYDFNC-DLBZAZTESA-N 2 1 366.893 0.942 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662758780 493540042 /nfs/dbraw/zinc/54/00/42/493540042.db2.gz TUJDNNADCIZWAU-OALUTQOASA-N 2 1 360.502 0.674 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000676287977 493542015 /nfs/dbraw/zinc/54/20/15/493542015.db2.gz YTKHTUMUIXNCHA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1=O ZINC000676287977 493542016 /nfs/dbraw/zinc/54/20/16/493542016.db2.gz YTKHTUMUIXNCHA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000676287977 493542018 /nfs/dbraw/zinc/54/20/18/493542018.db2.gz YTKHTUMUIXNCHA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000676287977 493542020 /nfs/dbraw/zinc/54/20/20/493542020.db2.gz YTKHTUMUIXNCHA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676303491 493543335 /nfs/dbraw/zinc/54/33/35/493543335.db2.gz CUIOIYFWQOSQTJ-AEFFLSMTSA-N 2 1 368.522 0.849 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2C[NH3+])CC1=O ZINC000662836939 493545877 /nfs/dbraw/zinc/54/58/77/493545877.db2.gz IPYVIZVOSMFXAH-ZIAGYGMSSA-N 2 1 362.478 0.459 20 0 FCADMP CC[N@H+]1CCC[C@H](CN(C)C(=O)[C@H]2C[NH2+]CCOC2)[C@H]1c1cnn(C)c1 ZINC000662863518 493547835 /nfs/dbraw/zinc/54/78/35/493547835.db2.gz HMIRUJTUUNPRRF-NJAFHUGGSA-N 2 1 363.506 0.888 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)[C@H]2C1 ZINC000662944607 493558525 /nfs/dbraw/zinc/55/85/25/493558525.db2.gz NXTJHVIDKKERLI-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)[C@@H]2C1 ZINC000662944604 493558660 /nfs/dbraw/zinc/55/86/60/493558660.db2.gz NXTJHVIDKKERLI-FGTMMUONSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946173 493558864 /nfs/dbraw/zinc/55/88/64/493558864.db2.gz BBTBGSIEJXNOCM-WMZOPIPTSA-N 2 1 358.486 0.582 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000662950533 493560033 /nfs/dbraw/zinc/56/00/33/493560033.db2.gz MSFAXHMJMAPZPT-AOIWGVFYSA-N 2 1 372.513 0.971 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662962500 493561278 /nfs/dbraw/zinc/56/12/78/493561278.db2.gz JVEWPECAJBHEAC-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670471597 493570860 /nfs/dbraw/zinc/57/08/60/493570860.db2.gz UOEKMOAKQZIHNU-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670471597 493570861 /nfs/dbraw/zinc/57/08/61/493570861.db2.gz UOEKMOAKQZIHNU-QGZVFWFLSA-N 2 1 367.538 0.071 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000670526185 493576965 /nfs/dbraw/zinc/57/69/65/493576965.db2.gz VOFRJJPZGNPGGK-HUUCEWRRSA-N 2 1 350.463 0.988 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3cccs3)C2)CC1 ZINC000670638996 493583924 /nfs/dbraw/zinc/58/39/24/493583924.db2.gz AOTLJYOVMYDEOZ-AWEZNQCLSA-N 2 1 364.515 0.692 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000663434989 493588773 /nfs/dbraw/zinc/58/87/73/493588773.db2.gz HLLNWLZCORJHTE-HOTGVXAUSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000663479379 493591571 /nfs/dbraw/zinc/59/15/71/493591571.db2.gz HKSGTSAMLCRICK-INIZCTEOSA-N 2 1 371.526 0.005 20 0 FCADMP O=C(c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCNC(=O)C1 ZINC000677237335 493592947 /nfs/dbraw/zinc/59/29/47/493592947.db2.gz QGROHPCIBFFBNL-ROUUACIJSA-N 2 1 356.470 0.975 20 0 FCADMP O=C(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)N1CCNC(=O)C1 ZINC000677237335 493592948 /nfs/dbraw/zinc/59/29/48/493592948.db2.gz QGROHPCIBFFBNL-ROUUACIJSA-N 2 1 356.470 0.975 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552751 493597016 /nfs/dbraw/zinc/59/70/16/493597016.db2.gz HGXSBCARKQKRMV-ZWKOTPCHSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552751 493597017 /nfs/dbraw/zinc/59/70/17/493597017.db2.gz HGXSBCARKQKRMV-ZWKOTPCHSA-N 2 1 368.522 0.584 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000663617607 493604688 /nfs/dbraw/zinc/60/46/88/493604688.db2.gz MEALOPZFBDZTMF-INIZCTEOSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000663617607 493604689 /nfs/dbraw/zinc/60/46/89/493604689.db2.gz MEALOPZFBDZTMF-INIZCTEOSA-N 2 1 365.522 0.857 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000670977362 493617392 /nfs/dbraw/zinc/61/73/92/493617392.db2.gz LWJZOXCHFXHAFO-IBGZPJMESA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000670977362 493617395 /nfs/dbraw/zinc/61/73/95/493617395.db2.gz LWJZOXCHFXHAFO-IBGZPJMESA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670977362 493617397 /nfs/dbraw/zinc/61/73/97/493617397.db2.gz LWJZOXCHFXHAFO-IBGZPJMESA-N 2 1 370.497 0.761 20 0 FCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670977362 493617399 /nfs/dbraw/zinc/61/73/99/493617399.db2.gz LWJZOXCHFXHAFO-IBGZPJMESA-N 2 1 370.497 0.761 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000670984522 493620134 /nfs/dbraw/zinc/62/01/34/493620134.db2.gz ORDHORHHAMFKPL-INIZCTEOSA-N 2 1 359.474 0.578 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000670997792 493622166 /nfs/dbraw/zinc/62/21/66/493622166.db2.gz LEXOAJBBZOATBI-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP COCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671030721 493624090 /nfs/dbraw/zinc/62/40/90/493624090.db2.gz OALSGLZDXYQGPW-MRXNPFEDSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000671033353 493625343 /nfs/dbraw/zinc/62/53/43/493625343.db2.gz YRCASEMOLKQYGF-KRWDZBQOSA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000671070930 493629335 /nfs/dbraw/zinc/62/93/35/493629335.db2.gz SHFPSLNYIIFCKZ-WMLDXEAASA-N 2 1 354.520 0.140 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000671102349 493633799 /nfs/dbraw/zinc/63/37/99/493633799.db2.gz YIFMIPFIHPBZDA-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102349 493633801 /nfs/dbraw/zinc/63/38/01/493633801.db2.gz YIFMIPFIHPBZDA-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102349 493633802 /nfs/dbraw/zinc/63/38/02/493633802.db2.gz YIFMIPFIHPBZDA-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000671104922 493634777 /nfs/dbraw/zinc/63/47/77/493634777.db2.gz YSSIOMKWDUWPFE-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000671104922 493634779 /nfs/dbraw/zinc/63/47/79/493634779.db2.gz YSSIOMKWDUWPFE-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104922 493634782 /nfs/dbraw/zinc/63/47/82/493634782.db2.gz YSSIOMKWDUWPFE-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104922 493634784 /nfs/dbraw/zinc/63/47/84/493634784.db2.gz YSSIOMKWDUWPFE-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671104818 493634832 /nfs/dbraw/zinc/63/48/32/493634832.db2.gz RUYKYQBLKRWVDC-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671104818 493634834 /nfs/dbraw/zinc/63/48/34/493634834.db2.gz RUYKYQBLKRWVDC-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671104818 493634836 /nfs/dbraw/zinc/63/48/36/493634836.db2.gz RUYKYQBLKRWVDC-IXDOHACOSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000671104927 493634892 /nfs/dbraw/zinc/63/48/92/493634892.db2.gz YSSIOMKWDUWPFE-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000671104927 493634895 /nfs/dbraw/zinc/63/48/95/493634895.db2.gz YSSIOMKWDUWPFE-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104927 493634897 /nfs/dbraw/zinc/63/48/97/493634897.db2.gz YSSIOMKWDUWPFE-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1CC(C)(C)O ZINC000671104927 493634899 /nfs/dbraw/zinc/63/48/99/493634899.db2.gz YSSIOMKWDUWPFE-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671105116 493634947 /nfs/dbraw/zinc/63/49/47/493634947.db2.gz HVGXZIQBWCDPPK-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105116 493634948 /nfs/dbraw/zinc/63/49/48/493634948.db2.gz HVGXZIQBWCDPPK-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105116 493634949 /nfs/dbraw/zinc/63/49/49/493634949.db2.gz HVGXZIQBWCDPPK-PMPSAXMXSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)cn2)CC1 ZINC000678135432 493636540 /nfs/dbraw/zinc/63/65/40/493636540.db2.gz NKLCUSNPRCFELN-LJQANCHMSA-N 2 1 374.533 0.915 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)cn2)CC1 ZINC000678135432 493636542 /nfs/dbraw/zinc/63/65/42/493636542.db2.gz NKLCUSNPRCFELN-LJQANCHMSA-N 2 1 374.533 0.915 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000671404256 493666096 /nfs/dbraw/zinc/66/60/96/493666096.db2.gz CYKIYWBQDVTJDK-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671404256 493666098 /nfs/dbraw/zinc/66/60/98/493666098.db2.gz CYKIYWBQDVTJDK-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671404256 493666100 /nfs/dbraw/zinc/66/61/00/493666100.db2.gz CYKIYWBQDVTJDK-HLLBOEOZSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664538338 493666475 /nfs/dbraw/zinc/66/64/75/493666475.db2.gz CWENZLLJQYUIIZ-SFHVURJKSA-N 2 1 367.538 0.253 20 0 FCADMP C[C@H]1CN(CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756986 493681582 /nfs/dbraw/zinc/68/15/82/493681582.db2.gz YSFZTBBJIXUHST-BBWFWOEESA-N 2 1 356.511 0.896 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000679512755 493685676 /nfs/dbraw/zinc/68/56/76/493685676.db2.gz LVJZPJPKVZZOLN-UKRRQHHQSA-N 2 1 354.414 0.758 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000679512755 493685677 /nfs/dbraw/zinc/68/56/77/493685677.db2.gz LVJZPJPKVZZOLN-UKRRQHHQSA-N 2 1 354.414 0.758 20 0 FCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000679512757 493685933 /nfs/dbraw/zinc/68/59/33/493685933.db2.gz LVJZPJPKVZZOLN-ZFWWWQNUSA-N 2 1 354.414 0.758 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000679512757 493685936 /nfs/dbraw/zinc/68/59/36/493685936.db2.gz LVJZPJPKVZZOLN-ZFWWWQNUSA-N 2 1 354.414 0.758 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873436 493709802 /nfs/dbraw/zinc/70/98/02/493709802.db2.gz FANNSMCSXJZRAE-OAGGEKHMSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873436 493709803 /nfs/dbraw/zinc/70/98/03/493709803.db2.gz FANNSMCSXJZRAE-OAGGEKHMSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672007373 493723445 /nfs/dbraw/zinc/72/34/45/493723445.db2.gz AIRPRKLEQMKMKE-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672007373 493723447 /nfs/dbraw/zinc/72/34/47/493723447.db2.gz AIRPRKLEQMKMKE-VYDXJSESSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000672008441 493723600 /nfs/dbraw/zinc/72/36/00/493723600.db2.gz SCPLMYJPHSUDAJ-CVEARBPZSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672007372 493723666 /nfs/dbraw/zinc/72/36/66/493723666.db2.gz AIRPRKLEQMKMKE-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672007372 493723669 /nfs/dbraw/zinc/72/36/69/493723669.db2.gz AIRPRKLEQMKMKE-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014545 493724715 /nfs/dbraw/zinc/72/47/15/493724715.db2.gz NRWVYLWNBHIEJA-HUUCEWRRSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672014545 493724718 /nfs/dbraw/zinc/72/47/18/493724718.db2.gz NRWVYLWNBHIEJA-HUUCEWRRSA-N 2 1 368.522 0.137 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000672012920 493724757 /nfs/dbraw/zinc/72/47/57/493724757.db2.gz DKZGTDUUMRVPON-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000672305814 493751764 /nfs/dbraw/zinc/75/17/64/493751764.db2.gz FCQFXXIHSLVKLC-QZTJIDSGSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672310968 493755202 /nfs/dbraw/zinc/75/52/02/493755202.db2.gz QBLIUIOTAZCHEO-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672310968 493755204 /nfs/dbraw/zinc/75/52/04/493755204.db2.gz QBLIUIOTAZCHEO-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672310968 493755206 /nfs/dbraw/zinc/75/52/06/493755206.db2.gz QBLIUIOTAZCHEO-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000666125462 493759272 /nfs/dbraw/zinc/75/92/72/493759272.db2.gz GWAFBUYONGVNJY-OXQOHEQNSA-N 2 1 372.469 0.195 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@@H]1C ZINC000410728068 527816546 /nfs/dbraw/zinc/81/65/46/527816546.db2.gz COPFCBHLZIUHKT-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@@H]1C ZINC000410728068 527816553 /nfs/dbraw/zinc/81/65/53/527816553.db2.gz COPFCBHLZIUHKT-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000410845226 527824307 /nfs/dbraw/zinc/82/43/07/527824307.db2.gz QMQVWNMIESDFTK-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410845226 527824309 /nfs/dbraw/zinc/82/43/09/527824309.db2.gz QMQVWNMIESDFTK-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410845226 527824314 /nfs/dbraw/zinc/82/43/14/527824314.db2.gz QMQVWNMIESDFTK-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000410477376 528147741 /nfs/dbraw/zinc/14/77/41/528147741.db2.gz TUZWCDXKQBNHIL-IRXDYDNUSA-N 2 1 368.522 0.498 20 0 FCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410803630 528445030 /nfs/dbraw/zinc/44/50/30/528445030.db2.gz ZHKZMXFOTIXPTJ-UHFFFAOYSA-N 2 1 368.522 0.236 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000410516310 528887655 /nfs/dbraw/zinc/88/76/55/528887655.db2.gz DIUVJUJOHJOHQS-SJORKVTESA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000410516310 528887661 /nfs/dbraw/zinc/88/76/61/528887661.db2.gz DIUVJUJOHJOHQS-SJORKVTESA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410889502 528890247 /nfs/dbraw/zinc/89/02/47/528890247.db2.gz ZAFDJWRGZMVMQO-UHFFFAOYSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410889502 528890251 /nfs/dbraw/zinc/89/02/51/528890251.db2.gz ZAFDJWRGZMVMQO-UHFFFAOYSA-N 2 1 369.554 0.269 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000410886468 528890807 /nfs/dbraw/zinc/89/08/07/528890807.db2.gz OBKPKFAPYWOYDE-INIZCTEOSA-N 2 1 368.522 0.497 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410884799 528890945 /nfs/dbraw/zinc/89/09/45/528890945.db2.gz KKWCGPLIXYJJJJ-OAHLLOKOSA-N 2 1 356.511 0.089 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410884799 528890950 /nfs/dbraw/zinc/89/09/50/528890950.db2.gz KKWCGPLIXYJJJJ-OAHLLOKOSA-N 2 1 356.511 0.089 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000410924634 529033045 /nfs/dbraw/zinc/03/30/45/529033045.db2.gz DVZQBLSSLOFTRU-QGZVFWFLSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1C ZINC000190249421 529099458 /nfs/dbraw/zinc/09/94/58/529099458.db2.gz MAAOVOHLEVOQAB-HNNXBMFYSA-N 2 1 364.494 0.542 20 0 FCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174321749 529118014 /nfs/dbraw/zinc/11/80/14/529118014.db2.gz WFTWFGIMJIPWFT-SFHVURJKSA-N 2 1 354.539 0.876 20 0 FCADMP CC(C)[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000440984712 535004286 /nfs/dbraw/zinc/00/42/86/535004286.db2.gz NWPIXCBAXZONCW-KRWDZBQOSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000440984712 535004296 /nfs/dbraw/zinc/00/42/96/535004296.db2.gz NWPIXCBAXZONCW-KRWDZBQOSA-N 2 1 369.554 0.668 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876942 535073820 /nfs/dbraw/zinc/07/38/20/535073820.db2.gz WFBGTZUOJVNHSV-KRWDZBQOSA-N 2 1 367.538 0.025 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385221 535200884 /nfs/dbraw/zinc/20/08/84/535200884.db2.gz AEVFCAQTLUCSCG-OAHLLOKOSA-N 2 1 364.515 0.574 20 0 FCADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385221 535200891 /nfs/dbraw/zinc/20/08/91/535200891.db2.gz AEVFCAQTLUCSCG-OAHLLOKOSA-N 2 1 364.515 0.574 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423442272 535209563 /nfs/dbraw/zinc/20/95/63/535209563.db2.gz JVBYFWIPFUYFNF-INIZCTEOSA-N 2 1 370.538 0.635 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000415260572 535558735 /nfs/dbraw/zinc/55/87/35/535558735.db2.gz XENMILUCXWVQMZ-UKRRQHHQSA-N 2 1 359.474 0.779 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039828 535594186 /nfs/dbraw/zinc/59/41/86/535594186.db2.gz YYEUQDKDNINUGF-CABCVRRESA-N 2 1 351.499 0.934 20 0 FCADMP CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630084 535703804 /nfs/dbraw/zinc/70/38/04/535703804.db2.gz ZHTLNJGKTFLORD-QGZVFWFLSA-N 2 1 360.506 0.979 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419829361 535710900 /nfs/dbraw/zinc/71/09/00/535710900.db2.gz PRSODWHDZVFDMY-NVXWUHKLSA-N 2 1 367.538 0.010 20 0 FCADMP CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435630809 535727504 /nfs/dbraw/zinc/72/75/04/535727504.db2.gz YQHJPNGYTCISGK-CQSZACIVSA-N 2 1 362.478 0.288 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)cc2F)CC1 ZINC000423996846 535745391 /nfs/dbraw/zinc/74/53/91/535745391.db2.gz XMDXXEMGFDGXJL-OAHLLOKOSA-N 2 1 350.438 0.686 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419853754 536103220 /nfs/dbraw/zinc/10/32/20/536103220.db2.gz AYPMUPQLCNREJC-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419853754 536103225 /nfs/dbraw/zinc/10/32/25/536103225.db2.gz AYPMUPQLCNREJC-ROUUACIJSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423375996 536367273 /nfs/dbraw/zinc/36/72/73/536367273.db2.gz IZBJEVWKWLWVFZ-SOLBZPMBSA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423375996 536367276 /nfs/dbraw/zinc/36/72/76/536367276.db2.gz IZBJEVWKWLWVFZ-SOLBZPMBSA-N 2 1 358.486 0.928 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163114 536368087 /nfs/dbraw/zinc/36/80/87/536368087.db2.gz JCXHCLHCRXJLFC-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419231268 536368518 /nfs/dbraw/zinc/36/85/18/536368518.db2.gz JORYPPMZQKMXSX-GXTWGEPZSA-N 2 1 350.488 0.431 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419231268 536368521 /nfs/dbraw/zinc/36/85/21/536368521.db2.gz JORYPPMZQKMXSX-GXTWGEPZSA-N 2 1 350.488 0.431 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419844433 536372448 /nfs/dbraw/zinc/37/24/48/536372448.db2.gz OHRAUVMJSZDEJX-KRWDZBQOSA-N 2 1 373.501 0.135 20 0 FCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347218 536401912 /nfs/dbraw/zinc/40/19/12/536401912.db2.gz FUQAFRVTYAHRTA-INIZCTEOSA-N 2 1 364.465 0.642 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000423455942 536416681 /nfs/dbraw/zinc/41/66/81/536416681.db2.gz GFRMCATXYZHVKP-AEFFLSMTSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000419399497 536449866 /nfs/dbraw/zinc/44/98/66/536449866.db2.gz ZBLXRJRNCDATCD-OAHLLOKOSA-N 2 1 360.502 0.911 20 0 FCADMP CO[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000416945348 536665770 /nfs/dbraw/zinc/66/57/70/536665770.db2.gz VZIGAFBOIJWXHJ-YESZJQIVSA-N 2 1 356.511 0.881 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419673295 536780420 /nfs/dbraw/zinc/78/04/20/536780420.db2.gz HCWMZGWOPPXOAU-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436059997 536869297 /nfs/dbraw/zinc/86/92/97/536869297.db2.gz PMRFFWHENOOORZ-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436059997 536869302 /nfs/dbraw/zinc/86/93/02/536869302.db2.gz PMRFFWHENOOORZ-MRXNPFEDSA-N 2 1 362.474 0.631 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000641798568 546958839 /nfs/dbraw/zinc/95/88/39/546958839.db2.gz NYKQVFVDPUHWGD-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641798568 546958842 /nfs/dbraw/zinc/95/88/42/546958842.db2.gz NYKQVFVDPUHWGD-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000641798568 546958844 /nfs/dbraw/zinc/95/88/44/546958844.db2.gz NYKQVFVDPUHWGD-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(F)cc1 ZINC000641801888 546960296 /nfs/dbraw/zinc/96/02/96/546960296.db2.gz GLVYZWICVJRUJM-TUKIKUTGSA-N 2 1 350.438 0.835 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000550097059 547077588 /nfs/dbraw/zinc/07/75/88/547077588.db2.gz RZJTYIHJAQVXQY-JKSUJKDBSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835716 547110113 /nfs/dbraw/zinc/11/01/13/547110113.db2.gz MCTBGMKJPCQISV-MAUKXSAKSA-N 2 1 370.563 0.777 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000550900121 547113785 /nfs/dbraw/zinc/11/37/85/547113785.db2.gz KCYNDDKEGCCSRU-AWEZNQCLSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000551039521 547121107 /nfs/dbraw/zinc/12/11/07/547121107.db2.gz KLDRPGZZOOYLOX-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551213176 547133875 /nfs/dbraw/zinc/13/38/75/547133875.db2.gz IYERLSGOPCJCOM-RVKKMQEKSA-N 2 1 370.563 0.777 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278639 547139313 /nfs/dbraw/zinc/13/93/13/547139313.db2.gz SUNCQULNCJQMLE-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278639 547139321 /nfs/dbraw/zinc/13/93/21/547139321.db2.gz SUNCQULNCJQMLE-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278639 547139324 /nfs/dbraw/zinc/13/93/24/547139324.db2.gz SUNCQULNCJQMLE-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624553 547156521 /nfs/dbraw/zinc/15/65/21/547156521.db2.gz WDOXGMIWKKJGRU-CJNGLKHVSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000552176149 547192920 /nfs/dbraw/zinc/19/29/20/547192920.db2.gz YNFYCNRBDKREOA-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000552176149 547192924 /nfs/dbraw/zinc/19/29/24/547192924.db2.gz YNFYCNRBDKREOA-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552176149 547192930 /nfs/dbraw/zinc/19/29/30/547192930.db2.gz YNFYCNRBDKREOA-JKSUJKDBSA-N 2 1 350.507 0.824 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000552623013 547219740 /nfs/dbraw/zinc/21/97/40/547219740.db2.gz WRUIBJBZIMESHF-INIZCTEOSA-N 2 1 354.495 0.158 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552747633 547229424 /nfs/dbraw/zinc/22/94/24/547229424.db2.gz QZOBCYVGRDOJRP-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552747633 547229429 /nfs/dbraw/zinc/22/94/29/547229429.db2.gz QZOBCYVGRDOJRP-JKSUJKDBSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000552769429 547232073 /nfs/dbraw/zinc/23/20/73/547232073.db2.gz DZUFHBFHVPPPLR-MNAZLIDISA-N 2 1 350.507 0.776 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000552856637 547235807 /nfs/dbraw/zinc/23/58/07/547235807.db2.gz NHCUWCKDBGFVEE-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)nc1C ZINC000553480078 547282104 /nfs/dbraw/zinc/28/21/04/547282104.db2.gz ZKXHFYCAPVVYAF-HNNXBMFYSA-N 2 1 357.524 0.765 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000553686783 547300714 /nfs/dbraw/zinc/30/07/14/547300714.db2.gz JZEOZXPBSZROJF-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000553686783 547300719 /nfs/dbraw/zinc/30/07/19/547300719.db2.gz JZEOZXPBSZROJF-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000553686783 547300724 /nfs/dbraw/zinc/30/07/24/547300724.db2.gz JZEOZXPBSZROJF-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NC1CCCCC1 ZINC000174725474 547319164 /nfs/dbraw/zinc/31/91/64/547319164.db2.gz BBPIRHZPPHALMF-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654372475 547321933 /nfs/dbraw/zinc/32/19/33/547321933.db2.gz KWMOMKAGGHDACK-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654372475 547321937 /nfs/dbraw/zinc/32/19/37/547321937.db2.gz KWMOMKAGGHDACK-HOTGVXAUSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CC[NH+](CC4CC4)CC3)C2)O1 ZINC000949123460 674395306 /nfs/dbraw/zinc/39/53/06/674395306.db2.gz DATNROKYWGGGLY-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CC[NH+](CC4CC4)CC3)C2)O1 ZINC000949123460 674395307 /nfs/dbraw/zinc/39/53/07/674395307.db2.gz DATNROKYWGGGLY-NVXWUHKLSA-N 2 1 351.491 0.809 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206090 674397241 /nfs/dbraw/zinc/39/72/41/674397241.db2.gz LPVATDHAUUSJNS-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736568994 599028246 /nfs/dbraw/zinc/02/82/46/599028246.db2.gz FPWUFHSZLJSUTB-HNNXBMFYSA-N 2 1 372.477 0.750 20 0 FCADMP C[NH+](C)C1(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCCCC1 ZINC000736757848 598518883 /nfs/dbraw/zinc/51/88/83/598518883.db2.gz XKISCIWXEXOXRX-ZDUSSCGKSA-N 2 1 359.482 0.959 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824262082 607752640 /nfs/dbraw/zinc/75/26/40/607752640.db2.gz WNHYAUKTPVLDSY-ZIAGYGMSSA-N 2 1 359.482 0.815 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824262082 607752641 /nfs/dbraw/zinc/75/26/41/607752641.db2.gz WNHYAUKTPVLDSY-ZIAGYGMSSA-N 2 1 359.482 0.815 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821267770 606266385 /nfs/dbraw/zinc/26/63/85/606266385.db2.gz QSZRNSACVWHSRI-CQSZACIVSA-N 2 1 360.466 0.683 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820480524 606860643 /nfs/dbraw/zinc/86/06/43/606860643.db2.gz LMLSGKKUSQXCML-KSSFIOAISA-N 2 1 374.489 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000897918312 665782108 /nfs/dbraw/zinc/78/21/08/665782108.db2.gz BWHZMKXMDMDALR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000897918312 665782111 /nfs/dbraw/zinc/78/21/11/665782111.db2.gz BWHZMKXMDMDALR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC000897918312 665782115 /nfs/dbraw/zinc/78/21/15/665782115.db2.gz BWHZMKXMDMDALR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC000897918312 665782123 /nfs/dbraw/zinc/78/21/23/665782123.db2.gz BWHZMKXMDMDALR-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000069440041 663185068 /nfs/dbraw/zinc/18/50/68/663185068.db2.gz GEXHNDCNYNQADS-OAHLLOKOSA-N 2 1 374.551 0.527 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000891493184 663409913 /nfs/dbraw/zinc/40/99/13/663409913.db2.gz NIJCVPWSOJCNSB-QGZVFWFLSA-N 2 1 350.463 0.929 20 0 FCADMP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000891513438 663410792 /nfs/dbraw/zinc/41/07/92/663410792.db2.gz CDFUWXLURDNTSD-MHEUCROKSA-N 2 1 351.451 0.046 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000891563502 663415696 /nfs/dbraw/zinc/41/56/96/663415696.db2.gz IBWYZVPXBNJPMK-MRXNPFEDSA-N 2 1 353.511 0.306 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000891598601 663417556 /nfs/dbraw/zinc/41/75/56/663417556.db2.gz VSGNFIWOWNZVTR-KRWDZBQOSA-N 2 1 355.527 0.232 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000891598601 663417558 /nfs/dbraw/zinc/41/75/58/663417558.db2.gz VSGNFIWOWNZVTR-KRWDZBQOSA-N 2 1 355.527 0.232 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC000891598601 663417559 /nfs/dbraw/zinc/41/75/59/663417559.db2.gz VSGNFIWOWNZVTR-KRWDZBQOSA-N 2 1 355.527 0.232 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)C3CCCCC3)C2)O1 ZINC001022275718 663428817 /nfs/dbraw/zinc/42/88/17/663428817.db2.gz REFJRZNBHZOEKN-FWEDZOCSSA-N 2 1 353.507 0.884 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)C3CCCCC3)C2)O1 ZINC001022275718 663428819 /nfs/dbraw/zinc/42/88/19/663428819.db2.gz REFJRZNBHZOEKN-FWEDZOCSSA-N 2 1 353.507 0.884 20 0 FCADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276475 663429113 /nfs/dbraw/zinc/42/91/13/663429113.db2.gz LEFLVXHRGFEMEP-IKVITTDRSA-N 2 1 369.897 0.838 20 0 FCADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276475 663429116 /nfs/dbraw/zinc/42/91/16/663429116.db2.gz LEFLVXHRGFEMEP-IKVITTDRSA-N 2 1 369.897 0.838 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1)[NH+](C)C ZINC001022353466 663439487 /nfs/dbraw/zinc/43/94/87/663439487.db2.gz SZCIBUZWQAKDCR-YLFCFFPRSA-N 2 1 350.507 0.726 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933845886 663444508 /nfs/dbraw/zinc/44/45/08/663444508.db2.gz HPTYZIQTEBNDNM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933845886 663444510 /nfs/dbraw/zinc/44/45/10/663444510.db2.gz HPTYZIQTEBNDNM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933845886 663444512 /nfs/dbraw/zinc/44/45/12/663444512.db2.gz HPTYZIQTEBNDNM-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000933848411 663444716 /nfs/dbraw/zinc/44/47/16/663444716.db2.gz TUUDTELVRWXDCU-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891906982 663448267 /nfs/dbraw/zinc/44/82/67/663448267.db2.gz WJWJLYVVBOKFPM-YJNKXOJESA-N 2 1 353.467 0.292 20 0 FCADMP CCC([NH3+])(CC)CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892038272 663469439 /nfs/dbraw/zinc/46/94/39/663469439.db2.gz CCSXDHAHTSBZGR-INIZCTEOSA-N 2 1 355.527 0.600 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892036924 663469524 /nfs/dbraw/zinc/46/95/24/663469524.db2.gz QSWJUPUFZIIEOD-IAGOWNOFSA-N 2 1 355.527 0.456 20 0 FCADMP [NH3+]CC1(CCNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000892218728 663495082 /nfs/dbraw/zinc/49/50/82/663495082.db2.gz KLZXAJUNVWQWEJ-MRXNPFEDSA-N 2 1 353.511 0.211 20 0 FCADMP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000892295731 663523846 /nfs/dbraw/zinc/52/38/46/663523846.db2.gz SEVODTOZUPMFJM-IXDOHACOSA-N 2 1 353.511 0.223 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023377990 663620350 /nfs/dbraw/zinc/62/03/50/663620350.db2.gz ZMTVQHFELLAWRI-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023377990 663620352 /nfs/dbraw/zinc/62/03/52/663620352.db2.gz ZMTVQHFELLAWRI-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023377990 663620353 /nfs/dbraw/zinc/62/03/53/663620353.db2.gz ZMTVQHFELLAWRI-OWCLPIDISA-N 2 1 351.495 0.180 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCN2CCCC2=O)CC[N@H+]1C ZINC001038274045 663623509 /nfs/dbraw/zinc/62/35/09/663623509.db2.gz UXQOAZXGEITPEU-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001038274045 663623511 /nfs/dbraw/zinc/62/35/11/663623511.db2.gz UXQOAZXGEITPEU-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001038274045 663623513 /nfs/dbraw/zinc/62/35/13/663623513.db2.gz UXQOAZXGEITPEU-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)[NH+](C)C ZINC000972739020 663856620 /nfs/dbraw/zinc/85/66/20/663856620.db2.gz KVGAUBWAFACSEC-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000892559484 664039831 /nfs/dbraw/zinc/03/98/31/664039831.db2.gz KNGGORZUERUTPG-IYBDPMFKSA-N 2 1 351.495 0.309 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000892651523 664059218 /nfs/dbraw/zinc/05/92/18/664059218.db2.gz ZLLQHGCBUOYTJY-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892651523 664059221 /nfs/dbraw/zinc/05/92/21/664059221.db2.gz ZLLQHGCBUOYTJY-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892651523 664059224 /nfs/dbraw/zinc/05/92/24/664059224.db2.gz ZLLQHGCBUOYTJY-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000973334365 664100011 /nfs/dbraw/zinc/10/00/11/664100011.db2.gz DKMRACYRPBMRAC-LUKYLMHMSA-N 2 1 350.507 0.822 20 0 FCADMP CC1(C)COCCN1CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892758259 664137468 /nfs/dbraw/zinc/13/74/68/664137468.db2.gz OMVKKYJXDLFXKZ-CVEARBPZSA-N 2 1 354.495 0.338 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CCCC[N@H+]1CCO)C2 ZINC000892880037 664153020 /nfs/dbraw/zinc/15/30/20/664153020.db2.gz XYRIGOFDQYOAHG-LBPRGKRZSA-N 2 1 353.492 0.516 20 0 FCADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000893100226 664204955 /nfs/dbraw/zinc/20/49/55/664204955.db2.gz CFHQNLXPIZGMKI-HNNXBMFYSA-N 2 1 355.527 0.803 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCn3cncn3)CC2)O1 ZINC001026514841 664239995 /nfs/dbraw/zinc/23/99/95/664239995.db2.gz UBESNTDFYPUKNG-PRLABOORSA-N 2 1 350.467 0.014 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]CCn3cncn3)CC2)O1 ZINC001026514841 664239997 /nfs/dbraw/zinc/23/99/97/664239997.db2.gz UBESNTDFYPUKNG-PRLABOORSA-N 2 1 350.467 0.014 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001026916246 664277260 /nfs/dbraw/zinc/27/72/60/664277260.db2.gz FQUKELWOHTVMCD-VNHYZAJKSA-N 2 1 368.503 0.809 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001026916246 664277264 /nfs/dbraw/zinc/27/72/64/664277264.db2.gz FQUKELWOHTVMCD-VNHYZAJKSA-N 2 1 368.503 0.809 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1)[NH+](C)C ZINC000975782099 664349818 /nfs/dbraw/zinc/34/98/18/664349818.db2.gz IVNZKEBAIRKLKK-HZMVEIRTSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000978881818 664448429 /nfs/dbraw/zinc/44/84/29/664448429.db2.gz UFYFEAINXIZOGQ-ZOFXXKQRSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000978881818 664448435 /nfs/dbraw/zinc/44/84/35/664448435.db2.gz UFYFEAINXIZOGQ-ZOFXXKQRSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000978881818 664448437 /nfs/dbraw/zinc/44/84/37/664448437.db2.gz UFYFEAINXIZOGQ-ZOFXXKQRSA-N 2 1 350.507 0.679 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000893606505 664475452 /nfs/dbraw/zinc/47/54/52/664475452.db2.gz PZMHOLPNPGGNEZ-GOSISDBHSA-N 2 1 356.511 0.632 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000893606505 664475455 /nfs/dbraw/zinc/47/54/55/664475455.db2.gz PZMHOLPNPGGNEZ-GOSISDBHSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccns2)O1 ZINC001027966296 664479108 /nfs/dbraw/zinc/47/91/08/664479108.db2.gz NHZWBINYKJYKRS-IJEWVQPXSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccns2)O1 ZINC001027966296 664479113 /nfs/dbraw/zinc/47/91/13/664479113.db2.gz NHZWBINYKJYKRS-IJEWVQPXSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccns2)O1 ZINC001027966296 664479115 /nfs/dbraw/zinc/47/91/15/664479115.db2.gz NHZWBINYKJYKRS-IJEWVQPXSA-N 2 1 352.504 0.985 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccns2)O1 ZINC001027966296 664479117 /nfs/dbraw/zinc/47/91/17/664479117.db2.gz NHZWBINYKJYKRS-IJEWVQPXSA-N 2 1 352.504 0.985 20 0 FCADMP CC(C)N1CC[C@@H](N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196401 664816599 /nfs/dbraw/zinc/81/65/99/664816599.db2.gz CKSDZTWEGFHFNM-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000981196401 664816603 /nfs/dbraw/zinc/81/66/03/664816603.db2.gz CKSDZTWEGFHFNM-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000981196401 664816605 /nfs/dbraw/zinc/81/66/05/664816605.db2.gz CKSDZTWEGFHFNM-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196401 664816607 /nfs/dbraw/zinc/81/66/07/664816607.db2.gz CKSDZTWEGFHFNM-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000981196401 664816611 /nfs/dbraw/zinc/81/66/11/664816611.db2.gz CKSDZTWEGFHFNM-BRWVUGGUSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](C[C@@H]2CCOC2)C3)O1 ZINC000981842023 664843358 /nfs/dbraw/zinc/84/33/58/664843358.db2.gz RQUWJJCGBBZGQT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](C[C@@H]2CCOC2)C3)O1 ZINC000981842023 664843361 /nfs/dbraw/zinc/84/33/61/664843361.db2.gz RQUWJJCGBBZGQT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](C[C@@H]2CCOC2)C3)O1 ZINC000981842023 664843367 /nfs/dbraw/zinc/84/33/67/664843367.db2.gz RQUWJJCGBBZGQT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](C[C@@H]2CCOC2)C3)O1 ZINC000981842023 664843372 /nfs/dbraw/zinc/84/33/72/664843372.db2.gz RQUWJJCGBBZGQT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](C[C@@H]2CCOC2)C3)O1 ZINC000981842023 664843377 /nfs/dbraw/zinc/84/33/77/664843377.db2.gz RQUWJJCGBBZGQT-IXDOHACOSA-N 2 1 351.491 0.666 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282620 664864347 /nfs/dbraw/zinc/86/43/47/664864347.db2.gz DANOPPMFZWENDN-MXQZZYIMSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282620 664864348 /nfs/dbraw/zinc/86/43/48/664864348.db2.gz DANOPPMFZWENDN-MXQZZYIMSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282620 664864349 /nfs/dbraw/zinc/86/43/49/664864349.db2.gz DANOPPMFZWENDN-MXQZZYIMSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000984899683 665114450 /nfs/dbraw/zinc/11/44/50/665114450.db2.gz JEHQNTOMPUKDOF-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1nocc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767057 665171257 /nfs/dbraw/zinc/17/12/57/665171257.db2.gz KXPWSVJQQBOUFY-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1nocc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767057 665171259 /nfs/dbraw/zinc/17/12/59/665171259.db2.gz KXPWSVJQQBOUFY-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1nocc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767057 665171260 /nfs/dbraw/zinc/17/12/60/665171260.db2.gz KXPWSVJQQBOUFY-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP Cc1nocc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767057 665171261 /nfs/dbraw/zinc/17/12/61/665171261.db2.gz KXPWSVJQQBOUFY-UKPHBRMFSA-N 2 1 350.463 0.982 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001029965872 665219633 /nfs/dbraw/zinc/21/96/33/665219633.db2.gz DCUCYARJJPRVGQ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)[C@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC001029965872 665219634 /nfs/dbraw/zinc/21/96/34/665219634.db2.gz DCUCYARJJPRVGQ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)[C@H]3CCCNC3=O)CC2)CC[NH+]1C ZINC001029965872 665219635 /nfs/dbraw/zinc/21/96/35/665219635.db2.gz DCUCYARJJPRVGQ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001029966336 665219737 /nfs/dbraw/zinc/21/97/37/665219737.db2.gz QQXHYVUTPBPSJP-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000988010161 665272002 /nfs/dbraw/zinc/27/20/02/665272002.db2.gz HFMNNLWLENKERM-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905104356 666005322 /nfs/dbraw/zinc/00/53/22/666005322.db2.gz FCPLWIJKNONNMZ-KRWDZBQOSA-N 2 1 355.523 0.965 20 0 FCADMP [NH3+]C1CC[NH+](CCNc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000905704565 666034978 /nfs/dbraw/zinc/03/49/78/666034978.db2.gz JYPRBRQGRYELBQ-UHFFFAOYSA-N 2 1 353.492 0.701 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000906459472 666053765 /nfs/dbraw/zinc/05/37/65/666053765.db2.gz MSLPYYZJOJVAKB-UHFFFAOYSA-N 2 1 352.523 0.441 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000906647266 666060641 /nfs/dbraw/zinc/06/06/41/666060641.db2.gz APPOEEXUZKJVKE-UHFFFAOYSA-N 2 1 352.523 0.631 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000908120378 666186770 /nfs/dbraw/zinc/18/67/70/666186770.db2.gz UKRQVTFQWORZAZ-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000911033688 666307161 /nfs/dbraw/zinc/30/71/61/666307161.db2.gz JQUXVUIOVAPLPB-JYJNAYRXSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000938718038 666478540 /nfs/dbraw/zinc/47/85/40/666478540.db2.gz ZJSCDAJDAVEAPH-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000938718038 666478542 /nfs/dbraw/zinc/47/85/42/666478542.db2.gz ZJSCDAJDAVEAPH-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000938718038 666478544 /nfs/dbraw/zinc/47/85/44/666478544.db2.gz ZJSCDAJDAVEAPH-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000992089750 666618283 /nfs/dbraw/zinc/61/82/83/666618283.db2.gz NMHVFDRRGRVRCN-GDBMZVCRSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992313223 666632974 /nfs/dbraw/zinc/63/29/74/666632974.db2.gz LOIDACPHYVVIJV-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992313223 666632977 /nfs/dbraw/zinc/63/29/77/666632977.db2.gz LOIDACPHYVVIJV-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992313223 666632980 /nfs/dbraw/zinc/63/29/80/666632980.db2.gz LOIDACPHYVVIJV-DJIMGWMZSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920017 666668160 /nfs/dbraw/zinc/66/81/60/666668160.db2.gz FMRGRPUIHKFSSL-IAGOWNOFSA-N 2 1 356.511 0.753 20 0 FCADMP CC[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000913920017 666668161 /nfs/dbraw/zinc/66/81/61/666668161.db2.gz FMRGRPUIHKFSSL-IAGOWNOFSA-N 2 1 356.511 0.753 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccsc1 ZINC000419405486 674761206 /nfs/dbraw/zinc/76/12/06/674761206.db2.gz HQWUWMUXTQXYQS-RHSMWYFYSA-N 2 1 350.488 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000943707839 666784247 /nfs/dbraw/zinc/78/42/47/666784247.db2.gz GYHNWMLADGQUGP-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000916017570 666986535 /nfs/dbraw/zinc/98/65/35/666986535.db2.gz HEVJQKFZXBNSNO-MRXNPFEDSA-N 2 1 357.568 0.056 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000916008517 666986865 /nfs/dbraw/zinc/98/68/65/666986865.db2.gz WCPXVKMNXGLAFP-UHFFFAOYSA-N 2 1 357.568 0.689 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000916008517 666986866 /nfs/dbraw/zinc/98/68/66/666986866.db2.gz WCPXVKMNXGLAFP-UHFFFAOYSA-N 2 1 357.568 0.689 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC000997794258 667176598 /nfs/dbraw/zinc/17/65/98/667176598.db2.gz YTEXHQDBXDYWGE-GVDBMIGSSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC000998179031 667200348 /nfs/dbraw/zinc/20/03/48/667200348.db2.gz RPQJQGGCBHBRTH-NXNVCVFFSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000998179031 667200350 /nfs/dbraw/zinc/20/03/50/667200350.db2.gz RPQJQGGCBHBRTH-NXNVCVFFSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC000998179031 667200351 /nfs/dbraw/zinc/20/03/51/667200351.db2.gz RPQJQGGCBHBRTH-NXNVCVFFSA-N 2 1 350.507 0.774 20 0 FCADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000998983627 667224981 /nfs/dbraw/zinc/22/49/81/667224981.db2.gz OLADLYLSLALZBK-XZNOPERXSA-N 2 1 368.503 0.950 20 0 FCADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000998983627 667224986 /nfs/dbraw/zinc/22/49/86/667224986.db2.gz OLADLYLSLALZBK-XZNOPERXSA-N 2 1 368.503 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000999199016 667230703 /nfs/dbraw/zinc/23/07/03/667230703.db2.gz FURSYPOHCBIKME-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC[N@H+]1C ZINC001002244926 667526351 /nfs/dbraw/zinc/52/63/51/667526351.db2.gz AGSPOUZDTQDEMG-HDEZJCGLSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC001002244926 667526353 /nfs/dbraw/zinc/52/63/53/667526353.db2.gz AGSPOUZDTQDEMG-HDEZJCGLSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC[NH+]1C ZINC001002244926 667526355 /nfs/dbraw/zinc/52/63/55/667526355.db2.gz AGSPOUZDTQDEMG-HDEZJCGLSA-N 2 1 350.507 0.632 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002460328 667543086 /nfs/dbraw/zinc/54/30/86/667543086.db2.gz DCKYIQBTELMMRL-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002460328 667543089 /nfs/dbraw/zinc/54/30/89/667543089.db2.gz DCKYIQBTELMMRL-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002460328 667543092 /nfs/dbraw/zinc/54/30/92/667543092.db2.gz DCKYIQBTELMMRL-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001002859673 667571968 /nfs/dbraw/zinc/57/19/68/667571968.db2.gz CKPXIFVPXCRNMD-UKRRQHHQSA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001033093221 667669832 /nfs/dbraw/zinc/66/98/32/667669832.db2.gz ZGOPTYLPHAWZSP-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001033093221 667669837 /nfs/dbraw/zinc/66/98/37/667669837.db2.gz ZGOPTYLPHAWZSP-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001033093221 667669839 /nfs/dbraw/zinc/66/98/39/667669839.db2.gz ZGOPTYLPHAWZSP-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001033093221 667669843 /nfs/dbraw/zinc/66/98/43/667669843.db2.gz ZGOPTYLPHAWZSP-DJIMGWMZSA-N 2 1 371.547 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001033092421 667669961 /nfs/dbraw/zinc/66/99/61/667669961.db2.gz SXJSHBGZFRZWTA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001033092421 667669965 /nfs/dbraw/zinc/66/99/65/667669965.db2.gz SXJSHBGZFRZWTA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)CC[NH+]1C ZINC001033092421 667669968 /nfs/dbraw/zinc/66/99/68/667669968.db2.gz SXJSHBGZFRZWTA-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001034570953 667761222 /nfs/dbraw/zinc/76/12/22/667761222.db2.gz NBHRCUTVBTXSLZ-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001034570954 667761237 /nfs/dbraw/zinc/76/12/37/667761237.db2.gz NBHRCUTVBTXSLZ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001034647636 667762148 /nfs/dbraw/zinc/76/21/48/667762148.db2.gz OCZLYNIKYHNRJJ-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+](CC(=O)NC)C3)CC2)CC[N@H+]1C ZINC001035186837 667775121 /nfs/dbraw/zinc/77/51/21/667775121.db2.gz LCINRCHATGBMII-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@H+](CC(=O)NC)C3)CC2)CC[NH+]1C ZINC001035186837 667775126 /nfs/dbraw/zinc/77/51/26/667775126.db2.gz LCINRCHATGBMII-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@@H+](CC(=O)NC)C3)CC2)CC[NH+]1C ZINC001035186837 667775129 /nfs/dbraw/zinc/77/51/29/667775129.db2.gz LCINRCHATGBMII-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@H](C)C(N)=O)C3)CC2)CC[N@H+]1C ZINC001035188296 667775448 /nfs/dbraw/zinc/77/54/48/667775448.db2.gz YRWVKUTWVYVGOQ-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@@H+]([C@H](C)C(N)=O)C3)CC2)CC[NH+]1C ZINC001035188296 667775450 /nfs/dbraw/zinc/77/54/50/667775450.db2.gz YRWVKUTWVYVGOQ-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@H+]([C@H](C)C(N)=O)C3)CC2)CC[NH+]1C ZINC001035188296 667775453 /nfs/dbraw/zinc/77/54/53/667775453.db2.gz YRWVKUTWVYVGOQ-OWCLPIDISA-N 2 1 350.507 0.905 20 0 FCADMP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923323678 667825131 /nfs/dbraw/zinc/82/51/31/667825131.db2.gz JXPYONANDQJOLT-NVXWUHKLSA-N 2 1 350.507 0.430 20 0 FCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378444 667829471 /nfs/dbraw/zinc/82/94/71/667829471.db2.gz CKIXSMWVFRDNOY-BBWFWOEESA-N 2 1 354.495 0.383 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923419388 667834007 /nfs/dbraw/zinc/83/40/07/667834007.db2.gz AZPQBWDHZVDUPM-WCXIOVBPSA-N 2 1 351.491 0.497 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923492595 667841301 /nfs/dbraw/zinc/84/13/01/667841301.db2.gz QBWWYFAWRMEBEJ-KBPBESRZSA-N 2 1 368.503 0.935 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC000946909156 667841807 /nfs/dbraw/zinc/84/18/07/667841807.db2.gz ICTRIKGKIGIGLA-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000946909156 667841813 /nfs/dbraw/zinc/84/18/13/667841813.db2.gz ICTRIKGKIGIGLA-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC000946909156 667841818 /nfs/dbraw/zinc/84/18/18/667841818.db2.gz ICTRIKGKIGIGLA-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP COc1ccccc1[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000923579249 667850960 /nfs/dbraw/zinc/85/09/60/667850960.db2.gz PALASMQZBATSGB-INIZCTEOSA-N 2 1 368.503 0.572 20 0 FCADMP CC[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000923589586 667853049 /nfs/dbraw/zinc/85/30/49/667853049.db2.gz QRNQMBDITYTYIO-KRWDZBQOSA-N 2 1 352.504 0.563 20 0 FCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000761676982 667893554 /nfs/dbraw/zinc/89/35/54/667893554.db2.gz GBQYCYPVOWFGHU-HZPDHXFCSA-N 2 1 354.495 0.384 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000739020054 667935307 /nfs/dbraw/zinc/93/53/07/667935307.db2.gz CFADZUQVDTXQIJ-IAGOWNOFSA-N 2 1 354.495 0.650 20 0 FCADMP CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000774558928 668159328 /nfs/dbraw/zinc/15/93/28/668159328.db2.gz QCRDRVJJSVAHQK-GOSISDBHSA-N 2 1 355.479 0.788 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000774563314 668159731 /nfs/dbraw/zinc/15/97/31/668159731.db2.gz DREKYMRZOFBAED-GJZGRUSLSA-N 2 1 356.536 0.914 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000774563314 668159733 /nfs/dbraw/zinc/15/97/33/668159733.db2.gz DREKYMRZOFBAED-GJZGRUSLSA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000774563314 668159737 /nfs/dbraw/zinc/15/97/37/668159737.db2.gz DREKYMRZOFBAED-GJZGRUSLSA-N 2 1 356.536 0.914 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000774563314 668159740 /nfs/dbraw/zinc/15/97/40/668159740.db2.gz DREKYMRZOFBAED-GJZGRUSLSA-N 2 1 356.536 0.914 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000774839929 668177096 /nfs/dbraw/zinc/17/70/96/668177096.db2.gz CHAJZFQPPDYRMH-GJZGRUSLSA-N 2 1 350.463 0.989 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000819062991 668975782 /nfs/dbraw/zinc/97/57/82/668975782.db2.gz VLLQBQPXGFUOCZ-QGZVFWFLSA-N 2 1 358.483 0.016 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819146924 668983845 /nfs/dbraw/zinc/98/38/45/668983845.db2.gz SNSCEOJUTZJNJD-LBPRGKRZSA-N 2 1 359.414 0.345 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819146924 668983851 /nfs/dbraw/zinc/98/38/51/668983851.db2.gz SNSCEOJUTZJNJD-LBPRGKRZSA-N 2 1 359.414 0.345 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000796938217 669141004 /nfs/dbraw/zinc/14/10/04/669141004.db2.gz LLQIIOXKRXFIOZ-YRBFXIGRSA-N 2 1 357.495 0.961 20 0 FCADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000796938217 669141011 /nfs/dbraw/zinc/14/10/11/669141011.db2.gz LLQIIOXKRXFIOZ-YRBFXIGRSA-N 2 1 357.495 0.961 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448704 669173844 /nfs/dbraw/zinc/17/38/44/669173844.db2.gz UWGDSUUCMGTTGL-HNNXBMFYSA-N 2 1 374.551 0.621 20 0 FCADMP CCN1CCC[C@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448704 669173850 /nfs/dbraw/zinc/17/38/50/669173850.db2.gz UWGDSUUCMGTTGL-HNNXBMFYSA-N 2 1 374.551 0.621 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799179830 669287926 /nfs/dbraw/zinc/28/79/26/669287926.db2.gz VUHMFRQJQABLDL-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP COC(=O)[C@@]1(C)CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000840186266 669645688 /nfs/dbraw/zinc/64/56/88/669645688.db2.gz YDZHDIAIXXWBCD-INIZCTEOSA-N 2 1 352.435 0.235 20 0 FCADMP COC(=O)[C@@]1(C)CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000840186266 669645690 /nfs/dbraw/zinc/64/56/90/669645690.db2.gz YDZHDIAIXXWBCD-INIZCTEOSA-N 2 1 352.435 0.235 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810069414 669660958 /nfs/dbraw/zinc/66/09/58/669660958.db2.gz DIBHWFSYWQAKRX-CYBMUJFWSA-N 2 1 364.412 0.541 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810069414 669660960 /nfs/dbraw/zinc/66/09/60/669660960.db2.gz DIBHWFSYWQAKRX-CYBMUJFWSA-N 2 1 364.412 0.541 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000829483899 669703075 /nfs/dbraw/zinc/70/30/75/669703075.db2.gz FHIKXIGRCRQVHD-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000829483899 669703079 /nfs/dbraw/zinc/70/30/79/669703079.db2.gz FHIKXIGRCRQVHD-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000829483899 669703081 /nfs/dbraw/zinc/70/30/81/669703081.db2.gz FHIKXIGRCRQVHD-ROUUACIJSA-N 2 1 352.523 0.772 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000843254360 670787105 /nfs/dbraw/zinc/78/71/05/670787105.db2.gz OKFVLEIHZQFLEN-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000843254360 670787108 /nfs/dbraw/zinc/78/71/08/670787108.db2.gz OKFVLEIHZQFLEN-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000843254360 670787114 /nfs/dbraw/zinc/78/71/14/670787114.db2.gz OKFVLEIHZQFLEN-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000843254360 670787117 /nfs/dbraw/zinc/78/71/17/670787117.db2.gz OKFVLEIHZQFLEN-XHSDSOJGSA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843258820 670789136 /nfs/dbraw/zinc/78/91/36/670789136.db2.gz CSXHTGQNOUKRBR-GASCZTMLSA-N 2 1 356.511 0.626 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000843258820 670789141 /nfs/dbraw/zinc/78/91/41/670789141.db2.gz CSXHTGQNOUKRBR-GASCZTMLSA-N 2 1 356.511 0.626 20 0 FCADMP CC(C)N(CCCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)S(C)(=O)=O ZINC000843355473 670804767 /nfs/dbraw/zinc/80/47/67/670804767.db2.gz RBEHVGGXACKABV-UHFFFAOYSA-N 2 1 362.540 0.364 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC(OCCC[NH3+])CC2)NC(=O)N[C@@H]1C ZINC000843355164 670805191 /nfs/dbraw/zinc/80/51/91/670805191.db2.gz DCYIYFBDWHSPFM-GFCCVEGCSA-N 2 1 354.451 0.335 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000843367216 670808458 /nfs/dbraw/zinc/80/84/58/670808458.db2.gz BCZJDFGHVHTFEO-NUEKZKHPSA-N 2 1 352.479 0.783 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000843367216 670808466 /nfs/dbraw/zinc/80/84/66/670808466.db2.gz BCZJDFGHVHTFEO-NUEKZKHPSA-N 2 1 352.479 0.783 20 0 FCADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843378858 670810174 /nfs/dbraw/zinc/81/01/74/670810174.db2.gz JXYWCXMYIXXHNZ-MRXNPFEDSA-N 2 1 351.451 0.333 20 0 FCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706833 671139394 /nfs/dbraw/zinc/13/93/94/671139394.db2.gz QMRIPATVDOPFFQ-STQMWFEESA-N 2 1 351.451 0.474 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000848992615 671315608 /nfs/dbraw/zinc/31/56/08/671315608.db2.gz NCBQSMVATZBSOY-HZPDHXFCSA-N 2 1 354.495 0.390 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000848992614 671315731 /nfs/dbraw/zinc/31/57/31/671315731.db2.gz NCBQSMVATZBSOY-HOTGVXAUSA-N 2 1 354.495 0.390 20 0 FCADMP C[S@](=O)Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849050793 671316275 /nfs/dbraw/zinc/31/62/75/671316275.db2.gz IQHLTWPPCBARLE-DEOSSOPVSA-N 2 1 352.504 0.901 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000849087765 671317382 /nfs/dbraw/zinc/31/73/82/671317382.db2.gz NMWBBKWHQKXUNM-UHFFFAOYSA-N 2 1 366.487 0.353 20 0 FCADMP CN(CC[N@@H+](C)CCn1cnc(Br)n1)C1CC[NH+](C)CC1 ZINC000851872573 671475207 /nfs/dbraw/zinc/47/52/07/671475207.db2.gz JTYUZUOJGYNBIS-UHFFFAOYSA-N 2 1 359.316 0.998 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001049483473 675950580 /nfs/dbraw/zinc/95/05/80/675950580.db2.gz XPYJAHMUBRJMMC-KLHDSHLOSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001049483473 675950581 /nfs/dbraw/zinc/95/05/81/675950581.db2.gz XPYJAHMUBRJMMC-KLHDSHLOSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483473 675950583 /nfs/dbraw/zinc/95/05/83/675950583.db2.gz XPYJAHMUBRJMMC-KLHDSHLOSA-N 2 1 357.520 0.437 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001049483473 675950584 /nfs/dbraw/zinc/95/05/84/675950584.db2.gz XPYJAHMUBRJMMC-KLHDSHLOSA-N 2 1 357.520 0.437 20 0 FCADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903718147 675963130 /nfs/dbraw/zinc/96/31/30/675963130.db2.gz HLQGDLXYAVVNCK-INIZCTEOSA-N 2 1 374.551 0.349 20 0 FCADMP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733884 675965022 /nfs/dbraw/zinc/96/50/22/675965022.db2.gz SBYQVKJJSHTATC-NVXWUHKLSA-N 2 1 350.507 0.430 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC([NH+]3CCOCC3)C2)CC1 ZINC000862106921 672027862 /nfs/dbraw/zinc/02/78/62/672027862.db2.gz ZDZUNTNYQBOWFK-HIEASXQVSA-N 2 1 351.491 0.713 20 0 FCADMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783560 675973128 /nfs/dbraw/zinc/97/31/28/675973128.db2.gz ZEIRTDFEUOPWLZ-FUHWJXTLSA-N 2 1 350.507 0.561 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@@H+]1C ZINC001054134990 676001010 /nfs/dbraw/zinc/00/10/10/676001010.db2.gz RUXIWEQYZUZOCP-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCS(C)(=O)=O)C3)C2)CC[N@H+]1C ZINC001054134990 676001012 /nfs/dbraw/zinc/00/10/12/676001012.db2.gz RUXIWEQYZUZOCP-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001054134990 676001015 /nfs/dbraw/zinc/00/10/15/676001015.db2.gz RUXIWEQYZUZOCP-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CCS(C)(=O)=O)C3)C2)CC[NH+]1C ZINC001054134990 676001016 /nfs/dbraw/zinc/00/10/16/676001016.db2.gz RUXIWEQYZUZOCP-NUJGCVRESA-N 2 1 371.547 0.686 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232715 672390061 /nfs/dbraw/zinc/39/00/61/672390061.db2.gz RZRYPUHQLHDAGG-ZBFHGGJFSA-N 2 1 372.535 0.231 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CC1 ZINC000868354431 672395378 /nfs/dbraw/zinc/39/53/78/672395378.db2.gz GBPNJVRNINUMFN-UHFFFAOYSA-N 2 1 355.552 0.457 20 0 FCADMP CN1CC[NH+](C2CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000868647597 672406191 /nfs/dbraw/zinc/40/61/91/672406191.db2.gz LMRYJFUYABROQK-UHFFFAOYSA-N 2 1 353.511 0.130 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC3CC3)CC2)CC[N@H+]1C ZINC001055583497 676025322 /nfs/dbraw/zinc/02/53/22/676025322.db2.gz QCBMQYAUMPUEHE-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583630 676025399 /nfs/dbraw/zinc/02/53/99/676025399.db2.gz VYRJTDCSKKTREP-GDBMZVCRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001001421714 676071504 /nfs/dbraw/zinc/07/15/04/676071504.db2.gz GRSSHBGTLJPIFA-JKSUJKDBSA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001001421714 676071506 /nfs/dbraw/zinc/07/15/06/676071506.db2.gz GRSSHBGTLJPIFA-JKSUJKDBSA-N 2 1 359.536 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC001051623295 676106693 /nfs/dbraw/zinc/10/66/93/676106693.db2.gz DDILLZMJHGDYOT-OKZBNKHCSA-N 2 1 353.507 0.960 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)oc1C ZINC001051622170 676106798 /nfs/dbraw/zinc/10/67/98/676106798.db2.gz OXDRRPIGPNGIFO-FVQBIDKESA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)oc1C ZINC001051622170 676106800 /nfs/dbraw/zinc/10/68/00/676106800.db2.gz OXDRRPIGPNGIFO-FVQBIDKESA-N 2 1 350.463 0.949 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879568921 673127981 /nfs/dbraw/zinc/12/79/81/673127981.db2.gz FWUUFROTWQJZND-KSZLIROESA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000879568921 673127984 /nfs/dbraw/zinc/12/79/84/673127984.db2.gz FWUUFROTWQJZND-KSZLIROESA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000879568921 673127987 /nfs/dbraw/zinc/12/79/87/673127987.db2.gz FWUUFROTWQJZND-KSZLIROESA-N 2 1 352.523 0.485 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001051625324 676107191 /nfs/dbraw/zinc/10/71/91/676107191.db2.gz YVXNLOPTPCAMOO-XOKHGSTOSA-N 2 1 350.438 0.878 20 0 FCADMP CC(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043394 676113728 /nfs/dbraw/zinc/11/37/28/676113728.db2.gz XFLFKUMQMFJODW-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043394 676113730 /nfs/dbraw/zinc/11/37/30/676113730.db2.gz XFLFKUMQMFJODW-FGTMMUONSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001052393440 676122899 /nfs/dbraw/zinc/12/28/99/676122899.db2.gz JXWJCLABGMBKEH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC001052393440 676122901 /nfs/dbraw/zinc/12/29/01/676122901.db2.gz JXWJCLABGMBKEH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH+]1C ZINC001052393440 676122902 /nfs/dbraw/zinc/12/29/02/676122902.db2.gz JXWJCLABGMBKEH-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000882635342 673329531 /nfs/dbraw/zinc/32/95/31/673329531.db2.gz FZWKIGQKZSKZLI-BZSNNMDCSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000882635342 673329535 /nfs/dbraw/zinc/32/95/35/673329535.db2.gz FZWKIGQKZSKZLI-BZSNNMDCSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000882635342 673329540 /nfs/dbraw/zinc/32/95/40/673329540.db2.gz FZWKIGQKZSKZLI-BZSNNMDCSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884504054 673457777 /nfs/dbraw/zinc/45/77/77/673457777.db2.gz ZVHSSGNVPITMLO-KBPBESRZSA-N 2 1 360.449 0.584 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000884553537 673461571 /nfs/dbraw/zinc/46/15/71/673461571.db2.gz ALAWXTXXCYMDRH-BLFANLJRSA-N 2 1 362.396 0.323 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000884553538 673461596 /nfs/dbraw/zinc/46/15/96/673461596.db2.gz ALAWXTXXCYMDRH-DCQANWLSSA-N 2 1 362.396 0.323 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884555438 673462018 /nfs/dbraw/zinc/46/20/18/673462018.db2.gz RKFPPFUHDQTMIM-CMPLNLGQSA-N 2 1 363.487 0.085 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccsc1 ZINC000884576227 673463229 /nfs/dbraw/zinc/46/32/29/673463229.db2.gz CBKZXYFJWKJVRJ-JJRVBVJISA-N 2 1 350.488 0.535 20 0 FCADMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCCCC1 ZINC000884576275 673463319 /nfs/dbraw/zinc/46/33/19/673463319.db2.gz DATJADBGTCTXMD-HNAYVOBHSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884598265 673464686 /nfs/dbraw/zinc/46/46/86/673464686.db2.gz XBFXPOOUVIKFHR-TXPKVOOTSA-N 2 1 350.507 0.683 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884601294 673465000 /nfs/dbraw/zinc/46/50/00/673465000.db2.gz HEKBXQQNNHOZCE-QJPTWQEYSA-N 2 1 352.401 0.429 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000884601692 673465017 /nfs/dbraw/zinc/46/50/17/673465017.db2.gz SPMGCQJOAQWHSM-JQWIXIFHSA-N 2 1 350.385 0.183 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000884607274 673465314 /nfs/dbraw/zinc/46/53/14/673465314.db2.gz UMDSYRCCRIRURY-YXWQFLTLSA-N 2 1 362.499 0.820 20 0 FCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000884607272 673465406 /nfs/dbraw/zinc/46/54/06/673465406.db2.gz UMDSYRCCRIRURY-ORIJERBGSA-N 2 1 362.499 0.820 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884616925 673466238 /nfs/dbraw/zinc/46/62/38/673466238.db2.gz FENKXIMUXJPGQV-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000884640343 673468980 /nfs/dbraw/zinc/46/89/80/673468980.db2.gz BKXSHDBAXQMRRO-AAEUAGOBSA-N 2 1 364.412 0.573 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000884669608 673471314 /nfs/dbraw/zinc/47/13/14/673471314.db2.gz AUKULSSVOWGUME-CLCXKQKWSA-N 2 1 350.507 0.953 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000884775876 673481178 /nfs/dbraw/zinc/48/11/78/673481178.db2.gz KUXJDGUDVYRSEV-IHRRRGAJSA-N 2 1 358.433 0.481 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884909206 673490604 /nfs/dbraw/zinc/49/06/04/673490604.db2.gz UBMMVSGMLLOKPZ-DJIMGWMZSA-N 2 1 350.507 0.810 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC[C@@H]21 ZINC000884970072 673494445 /nfs/dbraw/zinc/49/44/45/673494445.db2.gz CUQAOJKQXSTDJZ-PMPSAXMXSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276511 673511320 /nfs/dbraw/zinc/51/13/20/673511320.db2.gz SRMPJESLPNYANX-MGPQQGTHSA-N 2 1 358.433 0.290 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000887079067 673620453 /nfs/dbraw/zinc/62/04/53/673620453.db2.gz JJODXJSFRQOBDB-APWZRJJASA-N 2 1 350.507 0.921 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000888026144 673664520 /nfs/dbraw/zinc/66/45/20/673664520.db2.gz POZOPKOESSYRBX-ZIAGYGMSSA-N 2 1 350.467 0.589 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889749503 673685067 /nfs/dbraw/zinc/68/50/67/673685067.db2.gz IGPXJNRRCNHWLW-ROUUACIJSA-N 2 1 352.523 0.460 20 0 FCADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925708621 673798982 /nfs/dbraw/zinc/79/89/82/673798982.db2.gz RXFPBYIFEFVHIZ-CYBMUJFWSA-N 2 1 351.472 0.858 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C[C@H]1[NH3+] ZINC000926320055 673822275 /nfs/dbraw/zinc/82/22/75/673822275.db2.gz JSYHUXABEQVAHF-LTIDMASMSA-N 2 1 350.507 0.905 20 0 FCADMP Cc1ccc(NCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[nH+]c1 ZINC000927472701 673863664 /nfs/dbraw/zinc/86/36/64/673863664.db2.gz YGIXDPDGFIZDMV-UHFFFAOYSA-N 2 1 350.467 0.463 20 0 FCADMP CN1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)C[C@H]21 ZINC000927637117 673872976 /nfs/dbraw/zinc/87/29/76/673872976.db2.gz NLZXJIOKLMSWPQ-GVDBMIGSSA-N 2 1 352.479 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000968728095 675227127 /nfs/dbraw/zinc/22/71/27/675227127.db2.gz DGAJNPDBARACIM-FVQBIDKESA-N 2 1 357.520 0.342 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC000968738314 675228092 /nfs/dbraw/zinc/22/80/92/675228092.db2.gz SNORBKSUXKHNAW-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000968738314 675228095 /nfs/dbraw/zinc/22/80/95/675228095.db2.gz SNORBKSUXKHNAW-QLFBSQMISA-N 2 1 352.458 0.668 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001007376963 675288622 /nfs/dbraw/zinc/28/86/22/675288622.db2.gz PKTIEFHENVPBLP-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001007376963 675288625 /nfs/dbraw/zinc/28/86/25/675288625.db2.gz PKTIEFHENVPBLP-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001007376963 675288628 /nfs/dbraw/zinc/28/86/28/675288628.db2.gz PKTIEFHENVPBLP-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001007376963 675288630 /nfs/dbraw/zinc/28/86/30/675288630.db2.gz PKTIEFHENVPBLP-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001007376963 675288633 /nfs/dbraw/zinc/28/86/33/675288633.db2.gz PKTIEFHENVPBLP-DJIMGWMZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC001011211122 675377301 /nfs/dbraw/zinc/37/73/01/675377301.db2.gz YNTAYKNRTMGSOB-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC001011211122 675377303 /nfs/dbraw/zinc/37/73/03/675377303.db2.gz YNTAYKNRTMGSOB-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC001011211122 675377307 /nfs/dbraw/zinc/37/73/07/675377307.db2.gz YNTAYKNRTMGSOB-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC001016631043 675402982 /nfs/dbraw/zinc/40/29/82/675402982.db2.gz MBZLNLIKMHLKBI-XHSDSOJGSA-N 2 1 350.507 0.776 20 0 FCADMP CCc1onc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019032350 675420480 /nfs/dbraw/zinc/42/04/80/675420480.db2.gz RFFCGRSRQQIKEF-HACGYAERSA-N 2 1 350.463 0.955 20 0 FCADMP CCc1onc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019032350 675420481 /nfs/dbraw/zinc/42/04/81/675420481.db2.gz RFFCGRSRQQIKEF-HACGYAERSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)CC[N@H+]1C ZINC001020171126 675436213 /nfs/dbraw/zinc/43/62/13/675436213.db2.gz OQQJUGQSVDDXJT-WRQOLXDDSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020172107 675436449 /nfs/dbraw/zinc/43/64/49/675436449.db2.gz MIGRPHKACDKYEG-OXGONZEZSA-N 2 1 357.520 0.388 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900438691 675681511 /nfs/dbraw/zinc/68/15/11/675681511.db2.gz CFLMSNKRMIKITL-OPQOLIRYSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCCF)C3)CC2)O1 ZINC001046038550 675682447 /nfs/dbraw/zinc/68/24/47/675682447.db2.gz MYPTUMKXYVQBHM-IXDOHACOSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCCF)C3)CC2)O1 ZINC001046038550 675682449 /nfs/dbraw/zinc/68/24/49/675682449.db2.gz MYPTUMKXYVQBHM-IXDOHACOSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCCF)C3)CC2)O1 ZINC001046038550 675682451 /nfs/dbraw/zinc/68/24/51/675682451.db2.gz MYPTUMKXYVQBHM-IXDOHACOSA-N 2 1 356.486 0.284 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCCF)C3)CC2)O1 ZINC001046038550 675682453 /nfs/dbraw/zinc/68/24/53/675682453.db2.gz MYPTUMKXYVQBHM-IXDOHACOSA-N 2 1 356.486 0.284 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000900844997 675723549 /nfs/dbraw/zinc/72/35/49/675723549.db2.gz IZXUOCXLDYQTTQ-ROUUACIJSA-N 2 1 354.539 0.706 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000901132914 675762235 /nfs/dbraw/zinc/76/22/35/675762235.db2.gz GDVZTEUROWNJOU-HZPDHXFCSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000901132914 675762237 /nfs/dbraw/zinc/76/22/37/675762237.db2.gz GDVZTEUROWNJOU-HZPDHXFCSA-N 2 1 355.479 0.225 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC(N)=O)CC3)C2)CC[N@H+]1C ZINC001047241281 675788595 /nfs/dbraw/zinc/78/85/95/675788595.db2.gz PGUNBCLBUDCAHK-DJIMGWMZSA-N 2 1 350.507 0.763 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801514881 675789185 /nfs/dbraw/zinc/78/91/85/675789185.db2.gz MWEAAJVSJOMITE-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801514881 675789186 /nfs/dbraw/zinc/78/91/86/675789186.db2.gz MWEAAJVSJOMITE-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)CC[N@H+]1C ZINC001047386023 675796229 /nfs/dbraw/zinc/79/62/29/675796229.db2.gz KAMYKSIWYCSLJV-MHORFTMASA-N 2 1 353.507 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001047386023 675796234 /nfs/dbraw/zinc/79/62/34/675796234.db2.gz KAMYKSIWYCSLJV-MHORFTMASA-N 2 1 353.507 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001047386023 675796238 /nfs/dbraw/zinc/79/62/38/675796238.db2.gz KAMYKSIWYCSLJV-MHORFTMASA-N 2 1 353.507 0.789 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H](C)C(N)=O)CC[N@H+]1C ZINC001048529212 675859470 /nfs/dbraw/zinc/85/94/70/675859470.db2.gz JKWFFMPDEPKIJA-RGGMIXCSSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)CC[NH+]1C ZINC001048529212 675859476 /nfs/dbraw/zinc/85/94/76/675859476.db2.gz JKWFFMPDEPKIJA-RGGMIXCSSA-N 2 1 350.507 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)CC[NH+]1C ZINC001048529212 675859481 /nfs/dbraw/zinc/85/94/81/675859481.db2.gz JKWFFMPDEPKIJA-RGGMIXCSSA-N 2 1 350.507 0.950 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000897497142 1192214085 /nfs/dbraw/zinc/21/40/85/1192214085.db2.gz VUMXMPQPXXEVIF-NJAFHUGGSA-N 2 1 371.485 0.862 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000969126256 1167736906 /nfs/dbraw/zinc/73/69/06/1167736906.db2.gz UUVRVJQDCHXBIS-PDCGBLAGSA-N 2 1 362.518 0.869 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)CC[NH+]1C ZINC000969126256 1167736912 /nfs/dbraw/zinc/73/69/12/1167736912.db2.gz UUVRVJQDCHXBIS-PDCGBLAGSA-N 2 1 362.518 0.869 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)CC[NH+]1C ZINC000969126256 1167736917 /nfs/dbraw/zinc/73/69/17/1167736917.db2.gz UUVRVJQDCHXBIS-PDCGBLAGSA-N 2 1 362.518 0.869 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C)CC[N@@H+]1C ZINC001020402157 1167762713 /nfs/dbraw/zinc/76/27/13/1167762713.db2.gz NTUMZBWSNWRUEV-TWMKSMIVSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C)CC[N@H+]1C ZINC001020402157 1167762726 /nfs/dbraw/zinc/76/27/26/1167762726.db2.gz NTUMZBWSNWRUEV-TWMKSMIVSA-N 2 1 366.506 0.155 20 0 FCADMP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470724 1167774103 /nfs/dbraw/zinc/77/41/03/1167774103.db2.gz QXSSLTQXJDQFAP-LPHOPBHVSA-N 2 1 361.490 0.936 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]21 ZINC001083192580 1168158752 /nfs/dbraw/zinc/15/87/52/1168158752.db2.gz HMYLUXFHLLUXND-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]21 ZINC001083192580 1168158766 /nfs/dbraw/zinc/15/87/66/1168158766.db2.gz HMYLUXFHLLUXND-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083192580 1168158774 /nfs/dbraw/zinc/15/87/74/1168158774.db2.gz HMYLUXFHLLUXND-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083192580 1168158783 /nfs/dbraw/zinc/15/87/83/1168158783.db2.gz HMYLUXFHLLUXND-BPQIPLTHSA-N 2 1 361.490 0.359 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969956925 1168236502 /nfs/dbraw/zinc/23/65/02/1168236502.db2.gz ASDAGOPEVUPCAP-JKIFEVAISA-N 2 1 362.474 0.041 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969956925 1168236508 /nfs/dbraw/zinc/23/65/08/1168236508.db2.gz ASDAGOPEVUPCAP-JKIFEVAISA-N 2 1 362.474 0.041 20 0 FCADMP COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194007 1168296700 /nfs/dbraw/zinc/29/67/00/1168296700.db2.gz RCZBCFFIYYEXSV-RBUKOAKNSA-N 2 1 361.486 0.962 20 0 FCADMP COCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194007 1168296704 /nfs/dbraw/zinc/29/67/04/1168296704.db2.gz RCZBCFFIYYEXSV-RBUKOAKNSA-N 2 1 361.486 0.962 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CCN(C(C)C)C1=O ZINC001266418380 1168424414 /nfs/dbraw/zinc/42/44/14/1168424414.db2.gz XXHFKXONXBZUFI-BZUAXINKSA-N 2 1 361.490 0.971 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)c1nnnn1C ZINC001104294232 1169682808 /nfs/dbraw/zinc/68/28/08/1169682808.db2.gz DSQOAOLVSIIGES-RBSFLKMASA-N 2 1 363.510 0.830 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CCNC1=O ZINC001691042170 1169859370 /nfs/dbraw/zinc/85/93/70/1169859370.db2.gz FMGSSEUFAFDOIQ-SQNIBIBYSA-N 2 1 358.486 0.658 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCNC1=O ZINC001691042170 1169859373 /nfs/dbraw/zinc/85/93/73/1169859373.db2.gz FMGSSEUFAFDOIQ-SQNIBIBYSA-N 2 1 358.486 0.658 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCNC1=O ZINC001691042170 1169859379 /nfs/dbraw/zinc/85/93/79/1169859379.db2.gz FMGSSEUFAFDOIQ-SQNIBIBYSA-N 2 1 358.486 0.658 20 0 FCADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104310923 1169883857 /nfs/dbraw/zinc/88/38/57/1169883857.db2.gz KFHIRSHEFSRNPM-RBSFLKMASA-N 2 1 367.494 0.130 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001021698577 1169893203 /nfs/dbraw/zinc/89/32/03/1169893203.db2.gz GVLWCSGYHVEMMF-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC001021708292 1169908176 /nfs/dbraw/zinc/90/81/76/1169908176.db2.gz BCIDJBPYSCGJBH-YESZJQIVSA-N 2 1 371.485 0.916 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC[N@H+]1C ZINC001021712712 1169916136 /nfs/dbraw/zinc/91/61/36/1169916136.db2.gz SWSXHKLCVZDOLQ-XLAORIBOSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001021712939 1169918982 /nfs/dbraw/zinc/91/89/82/1169918982.db2.gz XAGZCJLPTQFSFN-JZXOWHBKSA-N 2 1 359.474 0.591 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001691774373 1169935115 /nfs/dbraw/zinc/93/51/15/1169935115.db2.gz RIODYXAGWZESOI-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021803698 1170080019 /nfs/dbraw/zinc/08/00/19/1170080019.db2.gz FFTTYGOQCKRKCQ-YYIAUSFCSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021803698 1170080027 /nfs/dbraw/zinc/08/00/27/1170080027.db2.gz FFTTYGOQCKRKCQ-YYIAUSFCSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001021940988 1170328678 /nfs/dbraw/zinc/32/86/78/1170328678.db2.gz COPZMKOLMWGPNK-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001021940988 1170328685 /nfs/dbraw/zinc/32/86/85/1170328685.db2.gz COPZMKOLMWGPNK-DOTOQJQBSA-N 2 1 359.474 0.735 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415253 1170371854 /nfs/dbraw/zinc/37/18/54/1170371854.db2.gz PDQKMESLWQRRMU-FPCVCCKLSA-N 2 1 365.478 0.295 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104362727 1170484744 /nfs/dbraw/zinc/48/47/44/1170484744.db2.gz GORGAXTYMPDLRP-ZIAGYGMSSA-N 2 1 366.510 0.413 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971573153 1170559818 /nfs/dbraw/zinc/55/98/18/1170559818.db2.gz QHKSVCOXFSREQC-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971573153 1170559825 /nfs/dbraw/zinc/55/98/25/1170559825.db2.gz QHKSVCOXFSREQC-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC000971573153 1170559842 /nfs/dbraw/zinc/55/98/42/1170559842.db2.gz QHKSVCOXFSREQC-HRCADAONSA-N 2 1 364.490 0.398 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617006 1192419521 /nfs/dbraw/zinc/41/95/21/1192419521.db2.gz VBWYOVVOFUEOKA-IKGGRYGDSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617006 1192419526 /nfs/dbraw/zinc/41/95/26/1192419526.db2.gz VBWYOVVOFUEOKA-IKGGRYGDSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088617006 1192419530 /nfs/dbraw/zinc/41/95/30/1192419530.db2.gz VBWYOVVOFUEOKA-IKGGRYGDSA-N 2 1 365.522 0.569 20 0 FCADMP Cc1cncn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210458 1170746849 /nfs/dbraw/zinc/74/68/49/1170746849.db2.gz AATWOFWKFKPMBU-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022210458 1170746860 /nfs/dbraw/zinc/74/68/60/1170746860.db2.gz AATWOFWKFKPMBU-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210458 1170746870 /nfs/dbraw/zinc/74/68/70/1170746870.db2.gz AATWOFWKFKPMBU-YESZJQIVSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022219214 1170766326 /nfs/dbraw/zinc/76/63/26/1170766326.db2.gz LQQAGFFOGANPRA-YESZJQIVSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1 ZINC001022251051 1170806572 /nfs/dbraw/zinc/80/65/72/1170806572.db2.gz BCKWCSWNYFQJIU-YESZJQIVSA-N 2 1 359.474 0.674 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781449 1170822867 /nfs/dbraw/zinc/82/28/67/1170822867.db2.gz KNXRTQIIFDVSRP-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781449 1170822868 /nfs/dbraw/zinc/82/28/68/1170822868.db2.gz KNXRTQIIFDVSRP-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781449 1170822869 /nfs/dbraw/zinc/82/28/69/1170822869.db2.gz KNXRTQIIFDVSRP-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(CO)cc3)C2)O1 ZINC000971781449 1170822873 /nfs/dbraw/zinc/82/28/73/1170822873.db2.gz KNXRTQIIFDVSRP-ATZDWAIDSA-N 2 1 361.486 0.931 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001691143707 1170840574 /nfs/dbraw/zinc/84/05/74/1170840574.db2.gz WOGPBUNXOLJMKC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001691143707 1170840576 /nfs/dbraw/zinc/84/05/76/1170840576.db2.gz WOGPBUNXOLJMKC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001691143707 1170840577 /nfs/dbraw/zinc/84/05/77/1170840577.db2.gz WOGPBUNXOLJMKC-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022313852 1170849187 /nfs/dbraw/zinc/84/91/87/1170849187.db2.gz ZCUIVVBNQNAZCX-YQQAZPJKSA-N 2 1 359.474 0.662 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001691251409 1170890619 /nfs/dbraw/zinc/89/06/19/1170890619.db2.gz WUXMTXWLNNZYPL-HZSPNIEDSA-N 2 1 369.510 0.422 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001691251211 1170890697 /nfs/dbraw/zinc/89/06/97/1170890697.db2.gz PGZBZYWTLYOTMD-RRFJBIMHSA-N 2 1 366.506 0.644 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001691256795 1170896121 /nfs/dbraw/zinc/89/61/21/1170896121.db2.gz ILYCMINVFFWIHT-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001691263174 1170977686 /nfs/dbraw/zinc/97/76/86/1170977686.db2.gz HJEPJMWRTZPAEN-SOUVJXGZSA-N 2 1 361.494 0.724 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000891855619 1170983889 /nfs/dbraw/zinc/98/38/89/1170983889.db2.gz LGHUULIYFFKPRN-DLBZAZTESA-N 2 1 368.522 0.945 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001691268134 1171002464 /nfs/dbraw/zinc/00/24/64/1171002464.db2.gz BVDGEQZVTCPXFS-ARFHVFGLSA-N 2 1 357.462 0.845 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000933848712 1171021136 /nfs/dbraw/zinc/02/11/36/1171021136.db2.gz PHPUVJSJDVBGDS-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)O1 ZINC001075434300 1171034370 /nfs/dbraw/zinc/03/43/70/1171034370.db2.gz NQSQAMUICJPZHY-KBAYOESNSA-N 2 1 365.518 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)O1 ZINC001075434300 1171034378 /nfs/dbraw/zinc/03/43/78/1171034378.db2.gz NQSQAMUICJPZHY-KBAYOESNSA-N 2 1 365.518 0.960 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH2+]CCC12CCC2 ZINC000891953871 1171218655 /nfs/dbraw/zinc/21/86/55/1171218655.db2.gz RSHOIJIJKJNNRI-UHFFFAOYSA-N 2 1 366.506 0.795 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456130 1192480821 /nfs/dbraw/zinc/48/08/21/1192480821.db2.gz HUVVUPCMVDBBRV-PMPSAXMXSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456130 1192480831 /nfs/dbraw/zinc/48/08/31/1192480831.db2.gz HUVVUPCMVDBBRV-PMPSAXMXSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456130 1192480835 /nfs/dbraw/zinc/48/08/35/1192480835.db2.gz HUVVUPCMVDBBRV-PMPSAXMXSA-N 2 1 365.478 0.345 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)n1 ZINC001083456130 1192480841 /nfs/dbraw/zinc/48/08/41/1192480841.db2.gz HUVVUPCMVDBBRV-PMPSAXMXSA-N 2 1 365.478 0.345 20 0 FCADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC[N@@H+](C)CCO)cccc21 ZINC000892214057 1171753849 /nfs/dbraw/zinc/75/38/49/1171753849.db2.gz MXHSLUICUZHMOY-OAHLLOKOSA-N 2 1 364.446 0.051 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)C1 ZINC001022723647 1171817337 /nfs/dbraw/zinc/81/73/37/1171817337.db2.gz BIHXBEUYQWLCEH-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)C1 ZINC001022723647 1171817344 /nfs/dbraw/zinc/81/73/44/1171817344.db2.gz BIHXBEUYQWLCEH-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)C(N)=O ZINC001022747276 1171855565 /nfs/dbraw/zinc/85/55/65/1171855565.db2.gz AHJIOTJGWRRJBS-MDMSPXHWSA-N 2 1 358.486 0.833 20 0 FCADMP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1=O ZINC001022748501 1171856283 /nfs/dbraw/zinc/85/62/83/1171856283.db2.gz ZMAOJYXLFMGJKA-MTHXSQLBSA-N 2 1 370.497 0.799 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000972236627 1171873633 /nfs/dbraw/zinc/87/36/33/1171873633.db2.gz GOFBGTUWQJFNGY-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC000972243223 1171879545 /nfs/dbraw/zinc/87/95/45/1171879545.db2.gz RTIWWZLEQLMINR-KZNAEPCWSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000972253959 1171890201 /nfs/dbraw/zinc/89/02/01/1171890201.db2.gz DVCRIWDYTRXUDX-NUJGCVRESA-N 2 1 359.474 0.591 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000989026149 1192631837 /nfs/dbraw/zinc/63/18/37/1192631837.db2.gz DQHIDMZTMXYFGO-ZBFHGGJFSA-N 2 1 359.474 0.926 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCCO)CC3)C2)O1 ZINC001105475120 1192780398 /nfs/dbraw/zinc/78/03/98/1192780398.db2.gz YOVFBPPVGJMHHW-FXQQTDPRSA-N 2 1 369.506 0.218 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CCC([NH2+]CCCO)CC3)C2)O1 ZINC001105475120 1192780401 /nfs/dbraw/zinc/78/04/01/1192780401.db2.gz YOVFBPPVGJMHHW-FXQQTDPRSA-N 2 1 369.506 0.218 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000898069731 1192857041 /nfs/dbraw/zinc/85/70/41/1192857041.db2.gz VDRGOOSMXSYEFA-SJORKVTESA-N 2 1 373.501 0.967 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001691554602 1192874501 /nfs/dbraw/zinc/87/45/01/1192874501.db2.gz OCQUWFHUKHKNJL-ZJPYXAASSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001691554602 1192874503 /nfs/dbraw/zinc/87/45/03/1192874503.db2.gz OCQUWFHUKHKNJL-ZJPYXAASSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001691554602 1192874505 /nfs/dbraw/zinc/87/45/05/1192874505.db2.gz OCQUWFHUKHKNJL-ZJPYXAASSA-N 2 1 364.534 0.974 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001691574634 1192889870 /nfs/dbraw/zinc/88/98/70/1192889870.db2.gz VDSGSJHSXOFZFU-BBWFWOEESA-N 2 1 366.506 0.060 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001691574634 1192889873 /nfs/dbraw/zinc/88/98/73/1192889873.db2.gz VDSGSJHSXOFZFU-BBWFWOEESA-N 2 1 366.506 0.060 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023380908 1179509760 /nfs/dbraw/zinc/50/97/60/1179509760.db2.gz IWBRLSJBLCLATK-YESZJQIVSA-N 2 1 365.522 0.570 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023380908 1179509785 /nfs/dbraw/zinc/50/97/85/1179509785.db2.gz IWBRLSJBLCLATK-YESZJQIVSA-N 2 1 365.522 0.570 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001023380908 1179509815 /nfs/dbraw/zinc/50/98/15/1179509815.db2.gz IWBRLSJBLCLATK-YESZJQIVSA-N 2 1 365.522 0.570 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21)C1CC1 ZINC000972648302 1180186300 /nfs/dbraw/zinc/18/63/00/1180186300.db2.gz FWHMCCOBPUSZKL-SZVBFZGTSA-N 2 1 362.518 0.870 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024039037 1180806778 /nfs/dbraw/zinc/80/67/78/1180806778.db2.gz NAFRJXOQDFHQLR-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024039037 1180806780 /nfs/dbraw/zinc/80/67/80/1180806780.db2.gz NAFRJXOQDFHQLR-OWCLPIDISA-N 2 1 364.494 0.345 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001024447108 1181180369 /nfs/dbraw/zinc/18/03/69/1181180369.db2.gz QUYXOVZSDQSQPZ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001024447108 1181180374 /nfs/dbraw/zinc/18/03/74/1181180374.db2.gz QUYXOVZSDQSQPZ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001024447108 1181180380 /nfs/dbraw/zinc/18/03/80/1181180380.db2.gz QUYXOVZSDQSQPZ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001024447108 1181180385 /nfs/dbraw/zinc/18/03/85/1181180385.db2.gz QUYXOVZSDQSQPZ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001024503380 1181252989 /nfs/dbraw/zinc/25/29/89/1181252989.db2.gz BWURIXKLQSRHPG-IXDOHACOSA-N 2 1 371.441 0.120 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001691766084 1181516527 /nfs/dbraw/zinc/51/65/27/1181516527.db2.gz LJOVJOZSLKBJPK-RCCFBDPRSA-N 2 1 363.506 0.678 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000947251462 1181813549 /nfs/dbraw/zinc/81/35/49/1181813549.db2.gz NMEIKMRQJGRUTF-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000947251462 1181813550 /nfs/dbraw/zinc/81/35/50/1181813550.db2.gz NMEIKMRQJGRUTF-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000947251462 1181813556 /nfs/dbraw/zinc/81/35/56/1181813556.db2.gz NMEIKMRQJGRUTF-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)NC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000947251462 1181813560 /nfs/dbraw/zinc/81/35/60/1181813560.db2.gz NMEIKMRQJGRUTF-ZMSDIMECSA-N 2 1 366.506 0.297 20 0 FCADMP Cc1cc(CNC[C@H]2CCCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1C ZINC001024998948 1181844097 /nfs/dbraw/zinc/84/40/97/1181844097.db2.gz MTMMHHCSRXWLRA-KBAYOESNSA-N 2 1 363.506 0.918 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000892543952 1181847162 /nfs/dbraw/zinc/84/71/62/1181847162.db2.gz LIVQUKJDYDNUEO-HDICACEKSA-N 3 1 372.517 0.797 20 0 FCADMP C[N@H+]1C[C@H]2CN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000892543952 1181847165 /nfs/dbraw/zinc/84/71/65/1181847165.db2.gz LIVQUKJDYDNUEO-HDICACEKSA-N 2 1 372.517 0.797 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000892543952 1181847169 /nfs/dbraw/zinc/84/71/69/1181847169.db2.gz LIVQUKJDYDNUEO-HDICACEKSA-N 2 1 372.517 0.797 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972995596 1181869703 /nfs/dbraw/zinc/86/97/03/1181869703.db2.gz XWVNMVDJVLAWOR-CGTJXYLNSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000973312667 1182223243 /nfs/dbraw/zinc/22/32/43/1182223243.db2.gz WSMUYSTWPRUNRA-KFGODFMUSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000973331084 1182231108 /nfs/dbraw/zinc/23/11/08/1182231108.db2.gz HZJFFDFJEFGNPC-QCODTGAPSA-N 2 1 359.474 0.864 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000973331084 1182231115 /nfs/dbraw/zinc/23/11/15/1182231115.db2.gz HZJFFDFJEFGNPC-QCODTGAPSA-N 2 1 359.474 0.864 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104580837 1182246518 /nfs/dbraw/zinc/24/65/18/1182246518.db2.gz JKPATCVBXVUFDR-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104580837 1182246524 /nfs/dbraw/zinc/24/65/24/1182246524.db2.gz JKPATCVBXVUFDR-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104676670 1182359220 /nfs/dbraw/zinc/35/92/20/1182359220.db2.gz SXDZLKUVYQVZND-QLFBSQMISA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104683862 1182366647 /nfs/dbraw/zinc/36/66/47/1182366647.db2.gz QTGAGPBKTWTIPC-SJLPKXTDSA-N 2 1 360.502 0.720 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001025683099 1182678219 /nfs/dbraw/zinc/67/82/19/1182678219.db2.gz HKHKTTYTYOOULS-IAOVAPTHSA-N 2 1 371.441 0.120 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001025795045 1182847087 /nfs/dbraw/zinc/84/70/87/1182847087.db2.gz LUMASRFHASJGHW-WMOPWKTHSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001025795045 1182847090 /nfs/dbraw/zinc/84/70/90/1182847090.db2.gz LUMASRFHASJGHW-WMOPWKTHSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001025795045 1182847092 /nfs/dbraw/zinc/84/70/92/1182847092.db2.gz LUMASRFHASJGHW-WMOPWKTHSA-N 2 1 362.518 0.679 20 0 FCADMP CN1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+](C)CC1 ZINC000893009644 1182865322 /nfs/dbraw/zinc/86/53/22/1182865322.db2.gz DFUCSMLCBORGAT-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104794625 1182923788 /nfs/dbraw/zinc/92/37/88/1182923788.db2.gz DVVTZFWPNQPYNC-HZPDHXFCSA-N 2 1 364.494 0.112 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000974163997 1183021515 /nfs/dbraw/zinc/02/15/15/1183021515.db2.gz WSMUYSTWPRUNRA-IGKNDFSCSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000974189020 1183038510 /nfs/dbraw/zinc/03/85/10/1183038510.db2.gz VQFFSPIPZZOXDM-APIJFGDWSA-N 2 1 359.474 0.865 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC001026564908 1183158216 /nfs/dbraw/zinc/15/82/16/1183158216.db2.gz KLKPXGGKOTWRJI-HIEASXQVSA-N 2 1 358.486 0.834 20 0 FCADMP CC[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268589 1183167081 /nfs/dbraw/zinc/16/70/81/1183167081.db2.gz UIWPDDFSQQHIIK-CKEIUWERSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268589 1183167084 /nfs/dbraw/zinc/16/70/84/1183167084.db2.gz UIWPDDFSQQHIIK-CKEIUWERSA-N 2 1 364.494 0.516 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000974583321 1183362488 /nfs/dbraw/zinc/36/24/88/1183362488.db2.gz IJMLWWXLEZYVQA-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000974583321 1183362493 /nfs/dbraw/zinc/36/24/93/1183362493.db2.gz IJMLWWXLEZYVQA-BRWVUGGUSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000974583322 1183362631 /nfs/dbraw/zinc/36/26/31/1183362631.db2.gz IJMLWWXLEZYVQA-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000974583322 1183362633 /nfs/dbraw/zinc/36/26/33/1183362633.db2.gz IJMLWWXLEZYVQA-GVDBMIGSSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001026852742 1183415466 /nfs/dbraw/zinc/41/54/66/1183415466.db2.gz PYEYDJIMLYVEEG-QLFBSQMISA-N 2 1 362.478 0.087 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnnn1C ZINC001268005489 1183468402 /nfs/dbraw/zinc/46/84/02/1183468402.db2.gz VJFHKZCWGSMMBT-UAGQMJEPSA-N 2 1 371.489 0.397 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975210604 1183773461 /nfs/dbraw/zinc/77/34/61/1183773461.db2.gz IVVOBXSNCJZWQN-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975312463 1183834176 /nfs/dbraw/zinc/83/41/76/1183834176.db2.gz WLDIPRMEZXUVQV-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000975312463 1183834178 /nfs/dbraw/zinc/83/41/78/1183834178.db2.gz WLDIPRMEZXUVQV-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)C1 ZINC000975784134 1185777741 /nfs/dbraw/zinc/77/77/41/1185777741.db2.gz PKZBUOUSWNZSDM-SZMVWBNQSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112529718 1186090377 /nfs/dbraw/zinc/09/03/77/1186090377.db2.gz LZIRRGDUFTVGAM-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000980063332 1186171163 /nfs/dbraw/zinc/17/11/63/1186171163.db2.gz KBUYHONMNOCFLV-LUKYLMHMSA-N 2 1 362.518 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691496318 1186229564 /nfs/dbraw/zinc/22/95/64/1186229564.db2.gz UHAIRHWDJWWJMX-HRCADAONSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440192 1186419785 /nfs/dbraw/zinc/41/97/85/1186419785.db2.gz ROGHJHGVOHGVLP-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440192 1186419787 /nfs/dbraw/zinc/41/97/87/1186419787.db2.gz ROGHJHGVOHGVLP-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440192 1186419792 /nfs/dbraw/zinc/41/97/92/1186419792.db2.gz ROGHJHGVOHGVLP-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440192 1186419796 /nfs/dbraw/zinc/41/97/96/1186419796.db2.gz ROGHJHGVOHGVLP-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001028146164 1186553589 /nfs/dbraw/zinc/55/35/89/1186553589.db2.gz XPYCXAPSLMVKRB-ARFHVFGLSA-N 2 1 359.474 0.727 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001028146109 1186553720 /nfs/dbraw/zinc/55/37/20/1186553720.db2.gz VLRXUFMUPFCGSB-BZUAXINKSA-N 2 1 359.474 0.727 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000981990492 1186611475 /nfs/dbraw/zinc/61/14/75/1186611475.db2.gz UMVCWBFBXCIBIO-IAGOWNOFSA-N 2 1 369.469 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001691501316 1186684310 /nfs/dbraw/zinc/68/43/10/1186684310.db2.gz MYYPMRFKKQCODA-ZQDZILKHSA-N 2 1 363.462 0.828 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](CCn4cncn4)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282582 1186697584 /nfs/dbraw/zinc/69/75/84/1186697584.db2.gz CJVRWVNESGEMQL-RWQQGDIJSA-N 2 1 360.506 0.789 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720515 1187466019 /nfs/dbraw/zinc/46/60/19/1187466019.db2.gz JXAAOGNSEVPQID-OKZBNKHCSA-N 2 1 358.486 0.658 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000549832592 1187533563 /nfs/dbraw/zinc/53/35/63/1187533563.db2.gz KTLUIDKELZWZIT-QGZVFWFLSA-N 2 1 364.494 0.396 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000549832592 1187533567 /nfs/dbraw/zinc/53/35/67/1187533567.db2.gz KTLUIDKELZWZIT-QGZVFWFLSA-N 2 1 364.494 0.396 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549881988 1187574861 /nfs/dbraw/zinc/57/48/61/1187574861.db2.gz FXYBVVUOCOFHRJ-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581874 /nfs/dbraw/zinc/58/18/74/1187581874.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 1 360.458 0.454 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581881 /nfs/dbraw/zinc/58/18/81/1187581881.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 1 360.458 0.454 20 0 FCADMP C[C@@H](C(N)=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@]2(C)C1 ZINC000982571196 1187584040 /nfs/dbraw/zinc/58/40/40/1187584040.db2.gz ISIROSZBKHBKFX-DGKBOYHPSA-N 2 1 359.474 0.568 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028553207 1187604723 /nfs/dbraw/zinc/60/47/23/1187604723.db2.gz FLZBZODEXNPRKM-HRCADAONSA-N 2 1 364.490 0.304 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001028553207 1187604728 /nfs/dbraw/zinc/60/47/28/1187604728.db2.gz FLZBZODEXNPRKM-HRCADAONSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000982822008 1187737241 /nfs/dbraw/zinc/73/72/41/1187737241.db2.gz XRROJLCKMXWJRN-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628631 1187757123 /nfs/dbraw/zinc/75/71/23/1187757123.db2.gz WUQPSPQZKQRQSG-XOKHGSTOSA-N 2 1 364.494 0.052 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628631 1187757126 /nfs/dbraw/zinc/75/71/26/1187757126.db2.gz WUQPSPQZKQRQSG-XOKHGSTOSA-N 2 1 364.494 0.052 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628631 1187757131 /nfs/dbraw/zinc/75/71/31/1187757131.db2.gz WUQPSPQZKQRQSG-XOKHGSTOSA-N 2 1 364.494 0.052 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628631 1187757136 /nfs/dbraw/zinc/75/71/36/1187757136.db2.gz WUQPSPQZKQRQSG-XOKHGSTOSA-N 2 1 364.494 0.052 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629804 1187758771 /nfs/dbraw/zinc/75/87/71/1187758771.db2.gz SVVBDVJVZHUWOE-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629804 1187758775 /nfs/dbraw/zinc/75/87/75/1187758775.db2.gz SVVBDVJVZHUWOE-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629804 1187758778 /nfs/dbraw/zinc/75/87/78/1187758778.db2.gz SVVBDVJVZHUWOE-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)O1 ZINC001028629804 1187758781 /nfs/dbraw/zinc/75/87/81/1187758781.db2.gz SVVBDVJVZHUWOE-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000982929358 1187800302 /nfs/dbraw/zinc/80/03/02/1187800302.db2.gz BKDLRCOKXVDURP-GVDBMIGSSA-N 2 1 366.506 0.014 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC000550096435 1188224227 /nfs/dbraw/zinc/22/42/27/1188224227.db2.gz RBXCIFQMMIMAGM-KRWDZBQOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC000550096435 1188224234 /nfs/dbraw/zinc/22/42/34/1188224234.db2.gz RBXCIFQMMIMAGM-KRWDZBQOSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC000550096436 1188224384 /nfs/dbraw/zinc/22/43/84/1188224384.db2.gz RBXCIFQMMIMAGM-QGZVFWFLSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(C3CCC3)CC2)C1 ZINC000550096436 1188224388 /nfs/dbraw/zinc/22/43/88/1188224388.db2.gz RBXCIFQMMIMAGM-QGZVFWFLSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000550133516 1188232492 /nfs/dbraw/zinc/23/24/92/1188232492.db2.gz QAVGGSDDVDREJJ-INIZCTEOSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC1(C)C ZINC000894601896 1188235290 /nfs/dbraw/zinc/23/52/90/1188235290.db2.gz NMAQPWMMYZRUQI-DLBZAZTESA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1(C)C ZINC000894601896 1188235294 /nfs/dbraw/zinc/23/52/94/1188235294.db2.gz NMAQPWMMYZRUQI-DLBZAZTESA-N 2 1 367.538 0.253 20 0 FCADMP C[NH+]1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1(C)C ZINC000894601896 1188235297 /nfs/dbraw/zinc/23/52/97/1188235297.db2.gz NMAQPWMMYZRUQI-DLBZAZTESA-N 2 1 367.538 0.253 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC000983705709 1188276999 /nfs/dbraw/zinc/27/69/99/1188276999.db2.gz ZSLBILZRXKMRCX-KBUPBQIOSA-N 2 1 362.478 0.133 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984011138 1189369779 /nfs/dbraw/zinc/36/97/79/1189369779.db2.gz AQGBVJPFUCFZJS-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP COc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984011138 1189369785 /nfs/dbraw/zinc/36/97/85/1189369785.db2.gz AQGBVJPFUCFZJS-MUIFIZLQSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@H+]1C ZINC001075809201 1189466475 /nfs/dbraw/zinc/46/64/75/1189466475.db2.gz YYUAOCBLNBJTGJ-QKPAOTATSA-N 2 1 362.474 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001075809201 1189466484 /nfs/dbraw/zinc/46/64/84/1189466484.db2.gz YYUAOCBLNBJTGJ-QKPAOTATSA-N 2 1 362.474 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001075809201 1189466490 /nfs/dbraw/zinc/46/64/90/1189466490.db2.gz YYUAOCBLNBJTGJ-QKPAOTATSA-N 2 1 362.474 0.008 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087574159 1189609661 /nfs/dbraw/zinc/60/96/61/1189609661.db2.gz VFKBQAPCZIPHMH-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593657 1189640564 /nfs/dbraw/zinc/64/05/64/1189640564.db2.gz PEJSEYKIUWANAV-GVDBMIGSSA-N 2 1 365.522 0.855 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593657 1189640577 /nfs/dbraw/zinc/64/05/77/1189640577.db2.gz PEJSEYKIUWANAV-GVDBMIGSSA-N 2 1 365.522 0.855 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1CC ZINC001087593657 1189640591 /nfs/dbraw/zinc/64/05/91/1189640591.db2.gz PEJSEYKIUWANAV-GVDBMIGSSA-N 2 1 365.522 0.855 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cn(C)nc1C ZINC001087622444 1189670928 /nfs/dbraw/zinc/67/09/28/1189670928.db2.gz MZEPGVRVCVJPCT-BVPBIZIASA-N 2 1 363.506 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cn(C)nc1C ZINC001087622444 1189670940 /nfs/dbraw/zinc/67/09/40/1189670940.db2.gz MZEPGVRVCVJPCT-BVPBIZIASA-N 2 1 363.506 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cn(C)nc1C ZINC001087622444 1189670953 /nfs/dbraw/zinc/67/09/53/1189670953.db2.gz MZEPGVRVCVJPCT-BVPBIZIASA-N 2 1 363.506 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cn(C)nc1C ZINC001087622444 1189670966 /nfs/dbraw/zinc/67/09/66/1189670966.db2.gz MZEPGVRVCVJPCT-BVPBIZIASA-N 2 1 363.506 0.917 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087712699 1189800371 /nfs/dbraw/zinc/80/03/71/1189800371.db2.gz WKESLBZMFQWCQI-OKZBNKHCSA-N 2 1 363.506 0.555 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908780 1189894081 /nfs/dbraw/zinc/89/40/81/1189894081.db2.gz NEOGUZSPTUXAIU-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908780 1189894082 /nfs/dbraw/zinc/89/40/82/1189894082.db2.gz NEOGUZSPTUXAIU-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087908780 1189894086 /nfs/dbraw/zinc/89/40/86/1189894086.db2.gz NEOGUZSPTUXAIU-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087992875 1190143667 /nfs/dbraw/zinc/14/36/67/1190143667.db2.gz QFUCHTNXIRSXCH-IKGGRYGDSA-N 2 1 369.473 0.833 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087992875 1190143670 /nfs/dbraw/zinc/14/36/70/1190143670.db2.gz QFUCHTNXIRSXCH-IKGGRYGDSA-N 2 1 369.473 0.833 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087992737 1190144143 /nfs/dbraw/zinc/14/41/43/1190144143.db2.gz JKQMFJOIMKYXNZ-OWCLPIDISA-N 2 1 359.474 0.629 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087992737 1190144149 /nfs/dbraw/zinc/14/41/49/1190144149.db2.gz JKQMFJOIMKYXNZ-OWCLPIDISA-N 2 1 359.474 0.629 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010193 1190208462 /nfs/dbraw/zinc/20/84/62/1190208462.db2.gz MBCWKMLHSDWMEX-BBWFWOEESA-N 2 1 362.518 0.777 20 0 FCADMP Cc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011415 1190211430 /nfs/dbraw/zinc/21/14/30/1190211430.db2.gz MDWBHWKZLODYBB-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011415 1190211434 /nfs/dbraw/zinc/21/14/34/1190211434.db2.gz MDWBHWKZLODYBB-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011415 1190211436 /nfs/dbraw/zinc/21/14/36/1190211436.db2.gz MDWBHWKZLODYBB-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP Cc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011415 1190211438 /nfs/dbraw/zinc/21/14/38/1190211438.db2.gz MDWBHWKZLODYBB-NYCLONFESA-N 2 1 362.474 0.982 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088014479 1190215797 /nfs/dbraw/zinc/21/57/97/1190215797.db2.gz WPOAKYFDZXPVGS-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088014479 1190215812 /nfs/dbraw/zinc/21/58/12/1190215812.db2.gz WPOAKYFDZXPVGS-FGTMMUONSA-N 2 1 362.518 0.873 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@H]2C1 ZINC001088018874 1190231824 /nfs/dbraw/zinc/23/18/24/1190231824.db2.gz OJYNFXGOPXPPKM-PMPSAXMXSA-N 2 1 359.474 0.314 20 0 FCADMP CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@H]2C1 ZINC001088018874 1190231833 /nfs/dbraw/zinc/23/18/33/1190231833.db2.gz OJYNFXGOPXPPKM-PMPSAXMXSA-N 2 1 359.474 0.314 20 0 FCADMP Cc1c(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088019930 1190238092 /nfs/dbraw/zinc/23/80/92/1190238092.db2.gz MXZSSJTWOBNBFR-KFWWJZLASA-N 2 1 355.442 0.910 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028122 1190267300 /nfs/dbraw/zinc/26/73/00/1190267300.db2.gz WSWIAYFMJFJNQI-HLLBOEOZSA-N 2 1 355.442 0.992 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001271210241 1190358188 /nfs/dbraw/zinc/35/81/88/1190358188.db2.gz AQHDBJICQQARDY-LJQANCHMSA-N 2 1 361.490 0.991 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088095274 1190562672 /nfs/dbraw/zinc/56/26/72/1190562672.db2.gz DKADWGKKTLSHFT-JTDSTZFVSA-N 2 1 364.534 0.974 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107128 1190595013 /nfs/dbraw/zinc/59/50/13/1190595013.db2.gz IIKPHLFIAGSWFJ-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107128 1190595020 /nfs/dbraw/zinc/59/50/20/1190595020.db2.gz IIKPHLFIAGSWFJ-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)C1 ZINC001088107128 1190595024 /nfs/dbraw/zinc/59/50/24/1190595024.db2.gz IIKPHLFIAGSWFJ-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)C1 ZINC001088107329 1190596205 /nfs/dbraw/zinc/59/62/05/1190596205.db2.gz RQZICTLGXJILDU-CVEARBPZSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)C1 ZINC001088107329 1190596219 /nfs/dbraw/zinc/59/62/19/1190596219.db2.gz RQZICTLGXJILDU-CVEARBPZSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)CC[C@@H]3C2)C1 ZINC001088107329 1190596236 /nfs/dbraw/zinc/59/62/36/1190596236.db2.gz RQZICTLGXJILDU-CVEARBPZSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000985164051 1190660738 /nfs/dbraw/zinc/66/07/38/1190660738.db2.gz JVFCOMYSIUKWLX-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142014 1190662958 /nfs/dbraw/zinc/66/29/58/1190662958.db2.gz OHHRHQSNQOERMD-MSOLQXFVSA-N 2 1 358.486 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985165466 1190663744 /nfs/dbraw/zinc/66/37/44/1190663744.db2.gz CPIXBAUPYFIWIM-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1=O ZINC001276755905 1224107269 /nfs/dbraw/zinc/10/72/69/1224107269.db2.gz BSUTWBZVKMEXEV-FQEVSTJZSA-N 2 1 356.470 0.817 20 0 FCADMP C[NH+]1CCC([NH+]2CCC3(CCN(CCN4CCOCC4)C3=O)CC2)CC1 ZINC001276756121 1224108365 /nfs/dbraw/zinc/10/83/65/1224108365.db2.gz IKEMZSPCHLJNHL-UHFFFAOYSA-N 2 1 364.534 0.727 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876919 1190800051 /nfs/dbraw/zinc/80/00/51/1190800051.db2.gz YNOPSJGKZVRKNE-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876919 1190800055 /nfs/dbraw/zinc/80/00/55/1190800055.db2.gz YNOPSJGKZVRKNE-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876919 1190800058 /nfs/dbraw/zinc/80/00/58/1190800058.db2.gz YNOPSJGKZVRKNE-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC001075876919 1190800060 /nfs/dbraw/zinc/80/00/60/1190800060.db2.gz YNOPSJGKZVRKNE-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986127215 1190899588 /nfs/dbraw/zinc/89/95/88/1190899588.db2.gz LRVBBVFYFYITFF-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986127215 1190899589 /nfs/dbraw/zinc/89/95/89/1190899589.db2.gz LRVBBVFYFYITFF-ZACQAIPSSA-N 2 1 359.474 0.450 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986138264 1190904290 /nfs/dbraw/zinc/90/42/90/1190904290.db2.gz VLXWPYXHWOSPRS-KSZLIROESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001029965829 1191039350 /nfs/dbraw/zinc/03/93/50/1191039350.db2.gz BPFRUVQOGXUYSN-FVQBIDKESA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001029965829 1191039355 /nfs/dbraw/zinc/03/93/55/1191039355.db2.gz BPFRUVQOGXUYSN-FVQBIDKESA-N 2 1 364.490 0.302 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)[C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001029965829 1191039358 /nfs/dbraw/zinc/03/93/58/1191039358.db2.gz BPFRUVQOGXUYSN-FVQBIDKESA-N 2 1 364.490 0.302 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1)[NH+](C)C ZINC000986623161 1191069127 /nfs/dbraw/zinc/06/91/27/1191069127.db2.gz AJWLZLAQZPNKKE-XMTFNYHQSA-N 2 1 364.534 0.974 20 0 FCADMP CN1CCN(C(=O)C[N@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)CC1 ZINC001276765425 1224132855 /nfs/dbraw/zinc/13/28/55/1224132855.db2.gz VKDAROFBPHCBLD-FQEVSTJZSA-N 2 1 362.518 0.875 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000550652284 1193724870 /nfs/dbraw/zinc/72/48/70/1193724870.db2.gz BOBCWNCUNIJWPU-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664864 1193729764 /nfs/dbraw/zinc/72/97/64/1193729764.db2.gz ZXXLOQNFCZSVAN-IEBWSBKVSA-N 2 1 370.497 0.714 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664864 1193729769 /nfs/dbraw/zinc/72/97/69/1193729769.db2.gz ZXXLOQNFCZSVAN-IEBWSBKVSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664864 1193729775 /nfs/dbraw/zinc/72/97/75/1193729775.db2.gz ZXXLOQNFCZSVAN-IEBWSBKVSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000550664864 1193729780 /nfs/dbraw/zinc/72/97/80/1193729780.db2.gz ZXXLOQNFCZSVAN-IEBWSBKVSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+](C)C1CCC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001168321574 1193756217 /nfs/dbraw/zinc/75/62/17/1193756217.db2.gz IBQSVPLPXHYLSD-RTHYRTHZSA-N 2 1 359.474 0.778 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465411 1193762533 /nfs/dbraw/zinc/76/25/33/1193762533.db2.gz CTONWBQLNSOTIA-QRVBRYPASA-N 2 1 359.470 0.182 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465771 1193796428 /nfs/dbraw/zinc/79/64/28/1193796428.db2.gz RESOLYGBFVLUIV-ZCNNSNEGSA-N 2 1 371.481 0.720 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465771 1193796429 /nfs/dbraw/zinc/79/64/29/1193796429.db2.gz RESOLYGBFVLUIV-ZCNNSNEGSA-N 2 1 371.481 0.720 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000551111859 1193833444 /nfs/dbraw/zinc/83/34/44/1193833444.db2.gz PGWGJWYTNDCNGI-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000551111859 1193833446 /nfs/dbraw/zinc/83/34/46/1193833446.db2.gz PGWGJWYTNDCNGI-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105643496 1193848666 /nfs/dbraw/zinc/84/86/66/1193848666.db2.gz ZHQYLGYMVJJNBU-PSBWJHGTSA-N 2 1 364.490 0.540 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001060037255 1193861413 /nfs/dbraw/zinc/86/14/13/1193861413.db2.gz CEMLNNRSDRFVAG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001060037255 1193861414 /nfs/dbraw/zinc/86/14/14/1193861414.db2.gz CEMLNNRSDRFVAG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001060037255 1193861420 /nfs/dbraw/zinc/86/14/20/1193861420.db2.gz CEMLNNRSDRFVAG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001060037255 1193861421 /nfs/dbraw/zinc/86/14/21/1193861421.db2.gz CEMLNNRSDRFVAG-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551694706 1193867404 /nfs/dbraw/zinc/86/74/04/1193867404.db2.gz WMHSNIUZNGZOJI-IRXDYDNUSA-N 3 1 369.554 0.175 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000990521844 1193872386 /nfs/dbraw/zinc/87/23/86/1193872386.db2.gz GSBUEZMJVZQALV-CEXWTWQISA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000990521844 1193872387 /nfs/dbraw/zinc/87/23/87/1193872387.db2.gz GSBUEZMJVZQALV-CEXWTWQISA-N 2 1 370.497 0.753 20 0 FCADMP C[NH+]1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000990521844 1193872388 /nfs/dbraw/zinc/87/23/88/1193872388.db2.gz GSBUEZMJVZQALV-CEXWTWQISA-N 2 1 370.497 0.753 20 0 FCADMP Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757407 1193892355 /nfs/dbraw/zinc/89/23/55/1193892355.db2.gz XGQHTWDRLDJVRL-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757407 1193892356 /nfs/dbraw/zinc/89/23/56/1193892356.db2.gz XGQHTWDRLDJVRL-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757407 1193892357 /nfs/dbraw/zinc/89/23/57/1193892357.db2.gz XGQHTWDRLDJVRL-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)on1 ZINC001088757407 1193892358 /nfs/dbraw/zinc/89/23/58/1193892358.db2.gz XGQHTWDRLDJVRL-GHONMVHDSA-N 2 1 360.458 0.925 20 0 FCADMP Cc1cccc(OCCN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472330 1193899906 /nfs/dbraw/zinc/89/99/06/1193899906.db2.gz RQLLGXWWKPGSOA-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472330 1193899909 /nfs/dbraw/zinc/89/99/09/1193899909.db2.gz RQLLGXWWKPGSOA-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472330 1193899911 /nfs/dbraw/zinc/89/99/11/1193899911.db2.gz RQLLGXWWKPGSOA-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472330 1193899913 /nfs/dbraw/zinc/89/99/13/1193899913.db2.gz RQLLGXWWKPGSOA-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083472330 1193899914 /nfs/dbraw/zinc/89/99/14/1193899914.db2.gz RQLLGXWWKPGSOA-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cccnc3OC)C[C@@H]2O)CC[N@H+]1C ZINC001083474405 1193907239 /nfs/dbraw/zinc/90/72/39/1193907239.db2.gz FJFFQRSMEDYPHO-HZMVEIRTSA-N 2 1 362.474 0.482 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C(N)=O)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474599 1193908454 /nfs/dbraw/zinc/90/84/54/1193908454.db2.gz QLQYTHFCRRUXRJ-MLHJIOFPSA-N 2 1 374.485 0.177 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]([NH3+])C3Cc4ccccc4C3)cn2)CC1 ZINC001218579823 1224176811 /nfs/dbraw/zinc/17/68/11/1224176811.db2.gz MFJINRARPNIJHF-SFHVURJKSA-N 2 1 366.469 0.909 20 0 FCADMP COCCn1nnc2c1CCN(Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000552315156 1193923152 /nfs/dbraw/zinc/92/31/52/1193923152.db2.gz IEXDCJIDFKLGNU-UHFFFAOYSA-N 2 1 372.477 0.025 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000552747363 1193949599 /nfs/dbraw/zinc/94/95/99/1193949599.db2.gz FQMYODWFIVJIGK-HNNXBMFYSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075995104 1193954037 /nfs/dbraw/zinc/95/40/37/1193954037.db2.gz ZGVLDJJXHBLWFJ-CWRNSKLLSA-N 2 1 367.409 0.286 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000552927766 1193959069 /nfs/dbraw/zinc/95/90/69/1193959069.db2.gz DAXUGDHVFDZUNU-OAHLLOKOSA-N 2 1 366.506 0.370 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000553353881 1193990790 /nfs/dbraw/zinc/99/07/90/1193990790.db2.gz GWOWLTVNUBLSHP-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000553353881 1193990792 /nfs/dbraw/zinc/99/07/92/1193990792.db2.gz GWOWLTVNUBLSHP-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000553353881 1193990804 /nfs/dbraw/zinc/99/08/04/1193990804.db2.gz GWOWLTVNUBLSHP-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000553353881 1193990808 /nfs/dbraw/zinc/99/08/08/1193990808.db2.gz GWOWLTVNUBLSHP-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088792515 1194003406 /nfs/dbraw/zinc/00/34/06/1194003406.db2.gz RSSNUEUMCHCZDV-IKGGRYGDSA-N 2 1 363.506 0.697 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734981 1194018317 /nfs/dbraw/zinc/01/83/17/1194018317.db2.gz NRZBMFBVWXRRSP-IAGOWNOFSA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000553734981 1194018322 /nfs/dbraw/zinc/01/83/22/1194018322.db2.gz NRZBMFBVWXRRSP-IAGOWNOFSA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000553734981 1194018326 /nfs/dbraw/zinc/01/83/26/1194018326.db2.gz NRZBMFBVWXRRSP-IAGOWNOFSA-N 2 1 366.506 0.014 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218639441 1224186842 /nfs/dbraw/zinc/18/68/42/1224186842.db2.gz UMILUURJZHPJTB-DLBZAZTESA-N 2 1 369.506 0.293 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218639441 1224186847 /nfs/dbraw/zinc/18/68/47/1224186847.db2.gz UMILUURJZHPJTB-DLBZAZTESA-N 2 1 369.506 0.293 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218639441 1224186851 /nfs/dbraw/zinc/18/68/51/1224186851.db2.gz UMILUURJZHPJTB-DLBZAZTESA-N 2 1 369.506 0.293 20 0 FCADMP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218639441 1224186861 /nfs/dbraw/zinc/18/68/61/1224186861.db2.gz UMILUURJZHPJTB-DLBZAZTESA-N 2 1 369.506 0.293 20 0 FCADMP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218651200 1224190903 /nfs/dbraw/zinc/19/09/03/1224190903.db2.gz WEKVRHPARJLGQN-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218651200 1224190908 /nfs/dbraw/zinc/19/09/08/1224190908.db2.gz WEKVRHPARJLGQN-FGTMMUONSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191465 1194086448 /nfs/dbraw/zinc/08/64/48/1194086448.db2.gz XYTKZJBIMYEIBH-PXNSSMCTSA-N 2 1 358.486 0.868 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@H]21 ZINC000842230195 1194109894 /nfs/dbraw/zinc/10/98/94/1194109894.db2.gz WMCKKQKTEVNMMV-ZWKOTPCHSA-N 2 1 358.486 0.747 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001083518551 1194122698 /nfs/dbraw/zinc/12/26/98/1194122698.db2.gz DUKOTVTWUUCHKB-KSZLIROESA-N 2 1 363.506 0.102 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088823777 1194169275 /nfs/dbraw/zinc/16/92/75/1194169275.db2.gz CXUIQKFGHHKQJL-UNEWFSDZSA-N 2 1 357.462 0.625 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088823777 1194169279 /nfs/dbraw/zinc/16/92/79/1194169279.db2.gz CXUIQKFGHHKQJL-UNEWFSDZSA-N 2 1 357.462 0.625 20 0 FCADMP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]c5c4CCCC5)[C@@H]3C2)C1=O ZINC001076051429 1194268976 /nfs/dbraw/zinc/26/89/76/1194268976.db2.gz UOJCDACIOUXBHV-BMGDILEWSA-N 2 1 371.485 0.525 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]c5c4CCCC5)[C@@H]3C2)C1=O ZINC001076051429 1194268978 /nfs/dbraw/zinc/26/89/78/1194268978.db2.gz UOJCDACIOUXBHV-BMGDILEWSA-N 2 1 371.485 0.525 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076046709 1194273682 /nfs/dbraw/zinc/27/36/82/1194273682.db2.gz HSKUZYIZOCTSPV-WMLDXEAASA-N 2 1 368.441 0.506 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161200 1194335654 /nfs/dbraw/zinc/33/56/54/1194335654.db2.gz ITRYNKIJKLOXGO-LZLYRXPVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161200 1194335656 /nfs/dbraw/zinc/33/56/56/1194335656.db2.gz ITRYNKIJKLOXGO-LZLYRXPVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161200 1194335661 /nfs/dbraw/zinc/33/56/61/1194335661.db2.gz ITRYNKIJKLOXGO-LZLYRXPVSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001076161200 1194335664 /nfs/dbraw/zinc/33/56/64/1194335664.db2.gz ITRYNKIJKLOXGO-LZLYRXPVSA-N 2 1 360.506 0.970 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001076206143 1194353508 /nfs/dbraw/zinc/35/35/08/1194353508.db2.gz ASBPCLZNSYGWSW-GVDBMIGSSA-N 2 1 358.490 0.640 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076246976 1194365995 /nfs/dbraw/zinc/36/59/95/1194365995.db2.gz SOELLXAHHDGDIS-JKSUJKDBSA-N 2 1 363.506 0.276 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076246976 1194365998 /nfs/dbraw/zinc/36/59/98/1194365998.db2.gz SOELLXAHHDGDIS-JKSUJKDBSA-N 2 1 363.506 0.276 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076246976 1194366001 /nfs/dbraw/zinc/36/60/01/1194366001.db2.gz SOELLXAHHDGDIS-JKSUJKDBSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076247883 1194367197 /nfs/dbraw/zinc/36/71/97/1194367197.db2.gz LBUUJTQLSXLHKC-GBESFXJTSA-N 2 1 370.497 0.826 20 0 FCADMP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC001276794720 1224214048 /nfs/dbraw/zinc/21/40/48/1224214048.db2.gz RJABSTUYWUKLQS-INIZCTEOSA-N 2 1 369.412 0.473 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462143 1194506621 /nfs/dbraw/zinc/50/66/21/1194506621.db2.gz JEXQSCGOYNVUOI-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462143 1194506629 /nfs/dbraw/zinc/50/66/29/1194506629.db2.gz JEXQSCGOYNVUOI-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076462143 1194506635 /nfs/dbraw/zinc/50/66/35/1194506635.db2.gz JEXQSCGOYNVUOI-OKZBNKHCSA-N 2 1 362.518 0.873 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076465476 1194508973 /nfs/dbraw/zinc/50/89/73/1194508973.db2.gz HQCIBXVVDBFOOE-DLBZAZTESA-N 2 1 360.502 0.627 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588814 1194584403 /nfs/dbraw/zinc/58/44/03/1194584403.db2.gz GXPATVHWHOZSFL-KSZLIROESA-N 2 1 361.490 0.216 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588814 1194584408 /nfs/dbraw/zinc/58/44/08/1194584408.db2.gz GXPATVHWHOZSFL-KSZLIROESA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588814 1194584410 /nfs/dbraw/zinc/58/44/10/1194584410.db2.gz GXPATVHWHOZSFL-KSZLIROESA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)C1 ZINC001076588814 1194584415 /nfs/dbraw/zinc/58/44/15/1194584415.db2.gz GXPATVHWHOZSFL-KSZLIROESA-N 2 1 361.490 0.216 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218819424 1224231711 /nfs/dbraw/zinc/23/17/11/1224231711.db2.gz CTMSUZWBZNAYJA-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001218819424 1224231721 /nfs/dbraw/zinc/23/17/21/1224231721.db2.gz CTMSUZWBZNAYJA-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844981 1224239573 /nfs/dbraw/zinc/23/95/73/1224239573.db2.gz RBLMLJCXXMZHJB-ZWKOTPCHSA-N 2 1 369.506 0.435 20 0 FCADMP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001218880305 1224246106 /nfs/dbraw/zinc/24/61/06/1224246106.db2.gz CWSZUEAYIBYSFZ-INIZCTEOSA-N 2 1 354.414 0.212 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218904230 1224252219 /nfs/dbraw/zinc/25/22/19/1224252219.db2.gz DXRXPBQSWUSWJO-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218904230 1224252229 /nfs/dbraw/zinc/25/22/29/1224252229.db2.gz DXRXPBQSWUSWJO-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218904230 1224252238 /nfs/dbraw/zinc/25/22/38/1224252238.db2.gz DXRXPBQSWUSWJO-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)CC1 ZINC001077015348 1195143526 /nfs/dbraw/zinc/14/35/26/1195143526.db2.gz PPGAWORLEXRBNI-MKXGPGLRSA-N 2 1 365.518 0.695 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077024802 1195155603 /nfs/dbraw/zinc/15/56/03/1195155603.db2.gz QGEYYPCXPROSKO-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)CC[N@H+]1C ZINC001077024802 1195155605 /nfs/dbraw/zinc/15/56/05/1195155605.db2.gz QGEYYPCXPROSKO-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)CC[NH+]1C ZINC001077024802 1195155613 /nfs/dbraw/zinc/15/56/13/1195155613.db2.gz QGEYYPCXPROSKO-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)CC[NH+]1C ZINC001077024802 1195155620 /nfs/dbraw/zinc/15/56/20/1195155620.db2.gz QGEYYPCXPROSKO-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077027976 1195157171 /nfs/dbraw/zinc/15/71/71/1195157171.db2.gz UGMATKXMMDRMLL-WJFTUGDTSA-N 2 1 361.486 0.571 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC[NH+]1C ZINC001077027976 1195157178 /nfs/dbraw/zinc/15/71/78/1195157178.db2.gz UGMATKXMMDRMLL-WJFTUGDTSA-N 2 1 361.486 0.571 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC[NH+]1C ZINC001077027976 1195157182 /nfs/dbraw/zinc/15/71/82/1195157182.db2.gz UGMATKXMMDRMLL-WJFTUGDTSA-N 2 1 361.486 0.571 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077026690 1195157691 /nfs/dbraw/zinc/15/76/91/1195157691.db2.gz FXDCUAWHGQHBQC-BSDSXHPESA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077026690 1195157694 /nfs/dbraw/zinc/15/76/94/1195157694.db2.gz FXDCUAWHGQHBQC-BSDSXHPESA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)CC[NH+]1C ZINC001077026690 1195157699 /nfs/dbraw/zinc/15/76/99/1195157699.db2.gz FXDCUAWHGQHBQC-BSDSXHPESA-N 2 1 374.485 0.177 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)CC[NH+]1C ZINC001077026690 1195157706 /nfs/dbraw/zinc/15/77/06/1195157706.db2.gz FXDCUAWHGQHBQC-BSDSXHPESA-N 2 1 374.485 0.177 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCCc2nccn21 ZINC001077130915 1195246695 /nfs/dbraw/zinc/24/66/95/1195246695.db2.gz JJTATUOMIAZYDF-FGTMMUONSA-N 2 1 370.453 0.614 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001077148861 1195271124 /nfs/dbraw/zinc/27/11/24/1195271124.db2.gz HWSYKVNVQRVBQJ-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001077148861 1195271135 /nfs/dbraw/zinc/27/11/35/1195271135.db2.gz HWSYKVNVQRVBQJ-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001077148861 1195271141 /nfs/dbraw/zinc/27/11/41/1195271141.db2.gz HWSYKVNVQRVBQJ-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001077148861 1195271149 /nfs/dbraw/zinc/27/11/49/1195271149.db2.gz HWSYKVNVQRVBQJ-ARFHVFGLSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219815 1195328546 /nfs/dbraw/zinc/32/85/46/1195328546.db2.gz ZQGWGPNMKISPAF-QZTJIDSGSA-N 2 1 358.486 0.927 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219815 1195328550 /nfs/dbraw/zinc/32/85/50/1195328550.db2.gz ZQGWGPNMKISPAF-QZTJIDSGSA-N 2 1 358.486 0.927 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)cn1 ZINC001219000827 1224281351 /nfs/dbraw/zinc/28/13/51/1224281351.db2.gz CKDZUGLNBPTDIU-ZWKOTPCHSA-N 2 1 363.506 0.606 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219001376 1224282958 /nfs/dbraw/zinc/28/29/58/1224282958.db2.gz ZESXWBJDZBVXNN-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cn1 ZINC001077396106 1195494527 /nfs/dbraw/zinc/49/45/27/1195494527.db2.gz ODQUXDXINMYOST-IAGOWNOFSA-N 2 1 354.414 0.085 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cn1 ZINC001077396106 1195494530 /nfs/dbraw/zinc/49/45/30/1195494530.db2.gz ODQUXDXINMYOST-IAGOWNOFSA-N 2 1 354.414 0.085 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418276 1195518395 /nfs/dbraw/zinc/51/83/95/1195518395.db2.gz LVUJLMRTAHRFEP-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077418276 1195518398 /nfs/dbraw/zinc/51/83/98/1195518398.db2.gz LVUJLMRTAHRFEP-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418276 1195518404 /nfs/dbraw/zinc/51/84/04/1195518404.db2.gz LVUJLMRTAHRFEP-MOXMWUHRSA-N 2 1 363.502 0.591 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155828 1195681945 /nfs/dbraw/zinc/68/19/45/1195681945.db2.gz LTNQNSZZSVMSAQ-UXHICEINSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155828 1195681951 /nfs/dbraw/zinc/68/19/51/1195681951.db2.gz LTNQNSZZSVMSAQ-UXHICEINSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000907155828 1195681954 /nfs/dbraw/zinc/68/19/54/1195681954.db2.gz LTNQNSZZSVMSAQ-UXHICEINSA-N 2 1 374.529 0.479 20 0 FCADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910844191 1195849186 /nfs/dbraw/zinc/84/91/86/1195849186.db2.gz ZBBCILGTTMGMCK-UHFFFAOYSA-N 2 1 371.485 0.863 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000910832426 1195851492 /nfs/dbraw/zinc/85/14/92/1195851492.db2.gz QMKWBYIQJUYZIE-IAGOWNOFSA-N 2 1 373.501 0.919 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911186609 1195904831 /nfs/dbraw/zinc/90/48/31/1195904831.db2.gz NXWBIHJWIUIYOZ-KRWDZBQOSA-N 2 1 367.538 0.169 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000911190199 1195907012 /nfs/dbraw/zinc/90/70/12/1195907012.db2.gz XBYSFIILNVDPDO-GVDBMIGSSA-N 2 1 374.485 0.909 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)cc1 ZINC000911358568 1195941264 /nfs/dbraw/zinc/94/12/64/1195941264.db2.gz OXBBQQWVTKTSAH-ROUUACIJSA-N 2 1 358.486 0.883 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055020 1224323338 /nfs/dbraw/zinc/32/33/38/1224323338.db2.gz SANHGJNKAABMAK-IXDOHACOSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055020 1224323345 /nfs/dbraw/zinc/32/33/45/1224323345.db2.gz SANHGJNKAABMAK-IXDOHACOSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)N1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055020 1224323355 /nfs/dbraw/zinc/32/33/55/1224323355.db2.gz SANHGJNKAABMAK-IXDOHACOSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055021 1224325160 /nfs/dbraw/zinc/32/51/60/1224325160.db2.gz SANHGJNKAABMAK-YESZJQIVSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055021 1224325167 /nfs/dbraw/zinc/32/51/67/1224325167.db2.gz SANHGJNKAABMAK-YESZJQIVSA-N 2 1 366.506 0.248 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055021 1224325173 /nfs/dbraw/zinc/32/51/73/1224325173.db2.gz SANHGJNKAABMAK-YESZJQIVSA-N 2 1 366.506 0.248 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001219116110 1224360398 /nfs/dbraw/zinc/36/03/98/1224360398.db2.gz KMBNTJBQWVKMOG-GOSISDBHSA-N 3 1 373.501 0.488 20 0 FCADMP CN1C[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001219116110 1224360404 /nfs/dbraw/zinc/36/04/04/1224360404.db2.gz KMBNTJBQWVKMOG-GOSISDBHSA-N 2 1 373.501 0.488 20 0 FCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000594102375 1196691335 /nfs/dbraw/zinc/69/13/35/1196691335.db2.gz MYGMTYPCAWWQPP-ZACQAIPSSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)CC1 ZINC001088953058 1196846945 /nfs/dbraw/zinc/84/69/45/1196846945.db2.gz YRAINFDUPHVCDV-WBVHZDCISA-N 2 1 365.522 0.711 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC001088981048 1196856262 /nfs/dbraw/zinc/85/62/62/1196856262.db2.gz ABIHMTLHCGAOPX-UXLLHSPISA-N 2 1 361.490 0.943 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC001088981048 1196856263 /nfs/dbraw/zinc/85/62/63/1196856263.db2.gz ABIHMTLHCGAOPX-UXLLHSPISA-N 2 1 361.490 0.943 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088983991 1196856847 /nfs/dbraw/zinc/85/68/47/1196856847.db2.gz ZRXHQLUUIGYRSV-HIFRSBDPSA-N 2 1 370.457 0.197 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088983991 1196856849 /nfs/dbraw/zinc/85/68/49/1196856849.db2.gz ZRXHQLUUIGYRSV-HIFRSBDPSA-N 2 1 370.457 0.197 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC[N@@H+]1C ZINC000992308307 1197057709 /nfs/dbraw/zinc/05/77/09/1197057709.db2.gz BHUWJZYLIYREEA-OLMNPRSZSA-N 2 1 358.486 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC[N@H+]1C ZINC000992308307 1197057712 /nfs/dbraw/zinc/05/77/12/1197057712.db2.gz BHUWJZYLIYREEA-OLMNPRSZSA-N 2 1 358.486 0.957 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)C2 ZINC000992319676 1197067212 /nfs/dbraw/zinc/06/72/12/1197067212.db2.gz QUDNPBCESLVKDT-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)C2 ZINC000992319676 1197067217 /nfs/dbraw/zinc/06/72/17/1197067217.db2.gz QUDNPBCESLVKDT-HACGYAERSA-N 2 1 359.474 0.421 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCCCC2)CC[N@H+]1C ZINC001272424936 1197072800 /nfs/dbraw/zinc/07/28/00/1197072800.db2.gz DYNBHJKQWJKZAS-HYVNUMGLSA-N 2 1 368.522 0.232 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696056 1197101693 /nfs/dbraw/zinc/10/16/93/1197101693.db2.gz HDCLSGKWFFQEKJ-KURKYZTESA-N 2 1 367.534 0.963 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148475 1197309059 /nfs/dbraw/zinc/30/90/59/1197309059.db2.gz QWNRJDSBVOMLIA-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719768 1197653540 /nfs/dbraw/zinc/65/35/40/1197653540.db2.gz UXGDKIWNCNYLBK-NXHRZFHOSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719768 1197653544 /nfs/dbraw/zinc/65/35/44/1197653544.db2.gz UXGDKIWNCNYLBK-NXHRZFHOSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001083719768 1197653550 /nfs/dbraw/zinc/65/35/50/1197653550.db2.gz UXGDKIWNCNYLBK-NXHRZFHOSA-N 2 1 363.506 0.246 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085217691 1197692267 /nfs/dbraw/zinc/69/22/67/1197692267.db2.gz MDPZMQGECJWBRZ-KFWWJZLASA-N 2 1 364.494 0.500 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049973 1197741596 /nfs/dbraw/zinc/74/15/96/1197741596.db2.gz ZPGCTPLRABZILU-TWOQFEAHSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049973 1197741613 /nfs/dbraw/zinc/74/16/13/1197741613.db2.gz ZPGCTPLRABZILU-TWOQFEAHSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049973 1197741623 /nfs/dbraw/zinc/74/16/23/1197741623.db2.gz ZPGCTPLRABZILU-TWOQFEAHSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743710 /nfs/dbraw/zinc/74/37/10/1197743710.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743714 /nfs/dbraw/zinc/74/37/14/1197743714.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743720 /nfs/dbraw/zinc/74/37/20/1197743720.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743725 /nfs/dbraw/zinc/74/37/25/1197743725.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743736 /nfs/dbraw/zinc/74/37/36/1197743736.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 2 1 365.522 0.317 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723558 1197753464 /nfs/dbraw/zinc/75/34/64/1197753464.db2.gz PMNUBJAVNSBAME-CEXWTWQISA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723558 1197753481 /nfs/dbraw/zinc/75/34/81/1197753481.db2.gz PMNUBJAVNSBAME-CEXWTWQISA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723558 1197753492 /nfs/dbraw/zinc/75/34/92/1197753492.db2.gz PMNUBJAVNSBAME-CEXWTWQISA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723558 1197753506 /nfs/dbraw/zinc/75/35/06/1197753506.db2.gz PMNUBJAVNSBAME-CEXWTWQISA-N 2 1 361.486 0.766 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993073858 1197791878 /nfs/dbraw/zinc/79/18/78/1197791878.db2.gz RKGPWOLESCHCFG-MDZRGWNJSA-N 2 1 361.490 0.839 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255564 1197792283 /nfs/dbraw/zinc/79/22/83/1197792283.db2.gz XVXVIRKYBHODFZ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1nonc1C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371509 1197801704 /nfs/dbraw/zinc/80/17/04/1197801704.db2.gz VMKKDGSLMONNCA-GDBMZVCRSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nonc1C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371509 1197801705 /nfs/dbraw/zinc/80/17/05/1197801705.db2.gz VMKKDGSLMONNCA-GDBMZVCRSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nonc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371509 1197801709 /nfs/dbraw/zinc/80/17/09/1197801709.db2.gz VMKKDGSLMONNCA-GDBMZVCRSA-N 2 1 365.478 0.504 20 0 FCADMP Cc1nonc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371509 1197801713 /nfs/dbraw/zinc/80/17/13/1197801713.db2.gz VMKKDGSLMONNCA-GDBMZVCRSA-N 2 1 365.478 0.504 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085306531 1197809009 /nfs/dbraw/zinc/80/90/09/1197809009.db2.gz DSWUVUQKBXGCCJ-BZUAXINKSA-N 2 1 363.510 0.849 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085306531 1197809012 /nfs/dbraw/zinc/80/90/12/1197809012.db2.gz DSWUVUQKBXGCCJ-BZUAXINKSA-N 2 1 363.510 0.849 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085309109 1197810775 /nfs/dbraw/zinc/81/07/75/1197810775.db2.gz YIXXGEZRBYBRMX-BRWVUGGUSA-N 2 1 364.494 0.441 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085309109 1197810776 /nfs/dbraw/zinc/81/07/76/1197810776.db2.gz YIXXGEZRBYBRMX-BRWVUGGUSA-N 2 1 364.494 0.441 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083726912 1197829151 /nfs/dbraw/zinc/82/91/51/1197829151.db2.gz ABKVRBJJJFNIQV-OWLYRPNTSA-N 2 1 363.506 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083726912 1197829152 /nfs/dbraw/zinc/82/91/52/1197829152.db2.gz ABKVRBJJJFNIQV-OWLYRPNTSA-N 2 1 363.506 0.337 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083726912 1197829154 /nfs/dbraw/zinc/82/91/54/1197829154.db2.gz ABKVRBJJJFNIQV-OWLYRPNTSA-N 2 1 363.506 0.337 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083726997 1197830318 /nfs/dbraw/zinc/83/03/18/1197830318.db2.gz GMCLGAIQAWYCAW-OWLYRPNTSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083726997 1197830323 /nfs/dbraw/zinc/83/03/23/1197830323.db2.gz GMCLGAIQAWYCAW-OWLYRPNTSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083726997 1197830325 /nfs/dbraw/zinc/83/03/25/1197830325.db2.gz GMCLGAIQAWYCAW-OWLYRPNTSA-N 2 1 363.506 0.392 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083726997 1197830326 /nfs/dbraw/zinc/83/03/26/1197830326.db2.gz GMCLGAIQAWYCAW-OWLYRPNTSA-N 2 1 363.506 0.392 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106310781 1197859186 /nfs/dbraw/zinc/85/91/86/1197859186.db2.gz YGVUIASMWCIEDE-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106310781 1197859189 /nfs/dbraw/zinc/85/91/89/1197859189.db2.gz YGVUIASMWCIEDE-KLHDSHLOSA-N 2 1 368.522 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106322349 1197865000 /nfs/dbraw/zinc/86/50/00/1197865000.db2.gz MABFPWXYUVBYOB-OAGGEKHMSA-N 2 1 364.490 0.304 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106336695 1197868409 /nfs/dbraw/zinc/86/84/09/1197868409.db2.gz ZXSNWQVRXITKBY-ZACQAIPSSA-N 2 1 365.522 0.658 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106339247 1197869897 /nfs/dbraw/zinc/86/98/97/1197869897.db2.gz BOVDHBLPHSCQGA-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001085423364 1197887905 /nfs/dbraw/zinc/88/79/05/1197887905.db2.gz MEWNPXLNJLIPCQ-ARFHVFGLSA-N 2 1 357.462 0.988 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000735887218 1197894619 /nfs/dbraw/zinc/89/46/19/1197894619.db2.gz PQGVBWXCMYMARC-CQSZACIVSA-N 2 1 356.430 0.972 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000735887218 1197894623 /nfs/dbraw/zinc/89/46/23/1197894623.db2.gz PQGVBWXCMYMARC-CQSZACIVSA-N 2 1 356.430 0.972 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085429100 1197895815 /nfs/dbraw/zinc/89/58/15/1197895815.db2.gz GQWNYWVJRXXIDZ-BRWVUGGUSA-N 2 1 364.494 0.536 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085429100 1197895817 /nfs/dbraw/zinc/89/58/17/1197895817.db2.gz GQWNYWVJRXXIDZ-BRWVUGGUSA-N 2 1 364.494 0.536 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)CC1 ZINC001273334298 1197914204 /nfs/dbraw/zinc/91/42/04/1197914204.db2.gz WNCQYJCRWVLDSM-IRXDYDNUSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106432262 1197920214 /nfs/dbraw/zinc/92/02/14/1197920214.db2.gz SRRRDSVEPWSDGY-UKRRQHHQSA-N 2 1 371.445 0.304 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231044 1198080548 /nfs/dbraw/zinc/08/05/48/1198080548.db2.gz JVPKOAQPCSQQNK-HBFSDRIKSA-N 2 1 361.486 0.531 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231044 1198080561 /nfs/dbraw/zinc/08/05/61/1198080561.db2.gz JVPKOAQPCSQQNK-HBFSDRIKSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231044 1198080576 /nfs/dbraw/zinc/08/05/76/1198080576.db2.gz JVPKOAQPCSQQNK-HBFSDRIKSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)[C@@H](c2ccccc2)C1 ZINC001108231044 1198080589 /nfs/dbraw/zinc/08/05/89/1198080589.db2.gz JVPKOAQPCSQQNK-HBFSDRIKSA-N 2 1 361.486 0.531 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC([N@@H+](CCO)C[C@@H]3CCOC3)CC2)O1 ZINC001098404234 1198129280 /nfs/dbraw/zinc/12/92/80/1198129280.db2.gz JBDFNPYXPHKZCK-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)C[C@@H]3CCOC3)CC2)O1 ZINC001098404234 1198129296 /nfs/dbraw/zinc/12/92/96/1198129296.db2.gz JBDFNPYXPHKZCK-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)C[C@@H]3CCOC3)CC2)O1 ZINC001098404234 1198129306 /nfs/dbraw/zinc/12/93/06/1198129306.db2.gz JBDFNPYXPHKZCK-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](CCO)C[C@@H]3CCOC3)CC2)O1 ZINC001098404234 1198129315 /nfs/dbraw/zinc/12/93/15/1198129315.db2.gz JBDFNPYXPHKZCK-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](CCO)C[C@@H]3CCOC3)CC2)O1 ZINC001098404234 1198129327 /nfs/dbraw/zinc/12/93/27/1198129327.db2.gz JBDFNPYXPHKZCK-SOLBZPMBSA-N 2 1 369.506 0.027 20 0 FCADMP CC[C@H](C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)OC ZINC001098404628 1198133306 /nfs/dbraw/zinc/13/33/06/1198133306.db2.gz QVPZJRPKWYKWMR-KBAYOESNSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@H](C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)OC ZINC001098404628 1198133310 /nfs/dbraw/zinc/13/33/10/1198133310.db2.gz QVPZJRPKWYKWMR-KBAYOESNSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@H](C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)OC ZINC001098404628 1198133312 /nfs/dbraw/zinc/13/33/12/1198133312.db2.gz QVPZJRPKWYKWMR-KBAYOESNSA-N 2 1 371.522 0.416 20 0 FCADMP CC[C@H](C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)OC ZINC001098404628 1198133320 /nfs/dbraw/zinc/13/33/20/1198133320.db2.gz QVPZJRPKWYKWMR-KBAYOESNSA-N 2 1 371.522 0.416 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000742267481 1198170466 /nfs/dbraw/zinc/17/04/66/1198170466.db2.gz QRXKQCPLKSOINO-JKSUJKDBSA-N 2 1 364.490 0.543 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000742267481 1198170476 /nfs/dbraw/zinc/17/04/76/1198170476.db2.gz QRXKQCPLKSOINO-JKSUJKDBSA-N 2 1 364.490 0.543 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000742267476 1198170683 /nfs/dbraw/zinc/17/06/83/1198170683.db2.gz QRXKQCPLKSOINO-HOTGVXAUSA-N 2 1 364.490 0.543 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000742267476 1198170693 /nfs/dbraw/zinc/17/06/93/1198170693.db2.gz QRXKQCPLKSOINO-HOTGVXAUSA-N 2 1 364.490 0.543 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403457 1198207210 /nfs/dbraw/zinc/20/72/10/1198207210.db2.gz HYSJFFVKCAXCJJ-BEFAXECRSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006288350 1198248654 /nfs/dbraw/zinc/24/86/54/1198248654.db2.gz MTNLWONLHIYSEZ-HZMVEIRTSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001006289692 1198258800 /nfs/dbraw/zinc/25/88/00/1198258800.db2.gz SAJDKNQUJGYXNU-DDBAPUKQSA-N 2 1 362.518 0.918 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086369781 1198331248 /nfs/dbraw/zinc/33/12/48/1198331248.db2.gz AFAVRKFPYVLJMN-KLHDSHLOSA-N 2 1 363.510 0.798 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086369781 1198331256 /nfs/dbraw/zinc/33/12/56/1198331256.db2.gz AFAVRKFPYVLJMN-KLHDSHLOSA-N 2 1 363.510 0.798 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086370979 1198332125 /nfs/dbraw/zinc/33/21/25/1198332125.db2.gz JXUNNHKUUGAKQI-YHUYYLMFSA-N 2 1 363.510 0.798 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086370979 1198332136 /nfs/dbraw/zinc/33/21/36/1198332136.db2.gz JXUNNHKUUGAKQI-YHUYYLMFSA-N 2 1 363.510 0.798 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCc4ncnn43)C2)CC[N@H+]1C ZINC001086371047 1198332637 /nfs/dbraw/zinc/33/26/37/1198332637.db2.gz NJHLKLWBYKVMMB-QUSNUVHPSA-N 2 1 360.506 0.980 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400427 1198355971 /nfs/dbraw/zinc/35/59/71/1198355971.db2.gz GXVYYWZMXYZRKW-BRSBDYLESA-N 2 1 363.506 0.703 20 0 FCADMP Cc1cc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400427 1198355983 /nfs/dbraw/zinc/35/59/83/1198355983.db2.gz GXVYYWZMXYZRKW-BRSBDYLESA-N 2 1 363.506 0.703 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001086400255 1198356320 /nfs/dbraw/zinc/35/63/20/1198356320.db2.gz AGVAMJXNZOCWPB-ATNYBXOESA-N 2 1 361.490 0.533 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001086400255 1198356334 /nfs/dbraw/zinc/35/63/34/1198356334.db2.gz AGVAMJXNZOCWPB-ATNYBXOESA-N 2 1 361.490 0.533 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086484584 1198959172 /nfs/dbraw/zinc/95/91/72/1198959172.db2.gz FGISWVHQSCQWQN-RXABAKJHSA-N 2 1 370.497 0.705 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001169170483 1199053453 /nfs/dbraw/zinc/05/34/53/1199053453.db2.gz VZHNJGGRVPWGHZ-ZIAGYGMSSA-N 2 1 362.478 0.416 20 0 FCADMP CC[NH+]1CCC([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NC)C2)CC1 ZINC001169254486 1199059712 /nfs/dbraw/zinc/05/97/12/1199059712.db2.gz YLJUECDBLROCPA-YLJYHZDGSA-N 2 1 372.517 0.978 20 0 FCADMP CC[NH+]1CCC([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NC)C2)CC1 ZINC001169254486 1199059714 /nfs/dbraw/zinc/05/97/14/1199059714.db2.gz YLJUECDBLROCPA-YLJYHZDGSA-N 2 1 372.517 0.978 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC001169402224 1199061685 /nfs/dbraw/zinc/06/16/85/1199061685.db2.gz BBPQZFANKIAAJM-SJORKVTESA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398450 1199064928 /nfs/dbraw/zinc/06/49/28/1199064928.db2.gz RKFZKHMROFXNJT-XMTFNYHQSA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398450 1199064932 /nfs/dbraw/zinc/06/49/32/1199064932.db2.gz RKFZKHMROFXNJT-XMTFNYHQSA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398450 1199064938 /nfs/dbraw/zinc/06/49/38/1199064938.db2.gz RKFZKHMROFXNJT-XMTFNYHQSA-N 2 1 370.490 0.766 20 0 FCADMP CC(=O)N1CCC[C@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)C1 ZINC001169605104 1199080280 /nfs/dbraw/zinc/08/02/80/1199080280.db2.gz IYTCQAUCHWWELP-SFHVURJKSA-N 2 1 360.502 0.821 20 0 FCADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723123 1224576039 /nfs/dbraw/zinc/57/60/39/1224576039.db2.gz JDALPUYNAUTVMM-MOPGFXCFSA-N 4 1 373.545 0.671 20 0 FCADMP C[C@@H](O)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723401 1224576892 /nfs/dbraw/zinc/57/68/92/1224576892.db2.gz LUYUUFFUBBBRGH-NJAFHUGGSA-N 3 1 360.502 0.313 20 0 FCADMP C[C@@H](O)[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723401 1224576904 /nfs/dbraw/zinc/57/69/04/1224576904.db2.gz LUYUUFFUBBBRGH-NJAFHUGGSA-N 2 1 360.502 0.313 20 0 FCADMP C[C@@H](O)[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723401 1224576912 /nfs/dbraw/zinc/57/69/12/1224576912.db2.gz LUYUUFFUBBBRGH-NJAFHUGGSA-N 2 1 360.502 0.313 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001219723390 1224577419 /nfs/dbraw/zinc/57/74/19/1224577419.db2.gz LREVWLSCOIEQAZ-OALUTQOASA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001219723390 1224577421 /nfs/dbraw/zinc/57/74/21/1224577421.db2.gz LREVWLSCOIEQAZ-OALUTQOASA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001219723390 1224577425 /nfs/dbraw/zinc/57/74/25/1224577425.db2.gz LREVWLSCOIEQAZ-OALUTQOASA-N 2 1 372.513 0.593 20 0 FCADMP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725480 1224578216 /nfs/dbraw/zinc/57/82/16/1224578216.db2.gz FIIKVIJMNIPWBO-OTWHNJEPSA-N 3 1 371.529 0.294 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725480 1224578221 /nfs/dbraw/zinc/57/82/21/1224578221.db2.gz FIIKVIJMNIPWBO-OTWHNJEPSA-N 3 1 371.529 0.294 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725480 1224578226 /nfs/dbraw/zinc/57/82/26/1224578226.db2.gz FIIKVIJMNIPWBO-OTWHNJEPSA-N 3 1 371.529 0.294 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470670 1200314003 /nfs/dbraw/zinc/31/40/03/1200314003.db2.gz HWUYMQHRZUMYMQ-TWMKSMIVSA-N 2 1 359.474 0.893 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470670 1200314013 /nfs/dbraw/zinc/31/40/13/1200314013.db2.gz HWUYMQHRZUMYMQ-TWMKSMIVSA-N 2 1 359.474 0.893 20 0 FCADMP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538882 1200371721 /nfs/dbraw/zinc/37/17/21/1200371721.db2.gz XPDOFFXUHTWYSH-OWEAFNKSSA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538882 1200371734 /nfs/dbraw/zinc/37/17/34/1200371734.db2.gz XPDOFFXUHTWYSH-OWEAFNKSSA-N 2 1 363.502 0.998 20 0 FCADMP CCOCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538882 1200371738 /nfs/dbraw/zinc/37/17/38/1200371738.db2.gz XPDOFFXUHTWYSH-OWEAFNKSSA-N 2 1 363.502 0.998 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCNC(=O)CC2)CC1 ZINC001109650174 1200442168 /nfs/dbraw/zinc/44/21/68/1200442168.db2.gz WVPDKEPJPUHUDE-NCOADZHNSA-N 2 1 362.518 0.966 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688550 1200464031 /nfs/dbraw/zinc/46/40/31/1200464031.db2.gz VHZNGDWYOQFHJK-VSZNYVQBSA-N 2 1 368.522 0.447 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717423 1200475207 /nfs/dbraw/zinc/47/52/07/1200475207.db2.gz PQTHQLGDPMQAFA-YVSFHVDLSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717423 1200475209 /nfs/dbraw/zinc/47/52/09/1200475209.db2.gz PQTHQLGDPMQAFA-YVSFHVDLSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717423 1200475214 /nfs/dbraw/zinc/47/52/14/1200475214.db2.gz PQTHQLGDPMQAFA-YVSFHVDLSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717423 1200475219 /nfs/dbraw/zinc/47/52/19/1200475219.db2.gz PQTHQLGDPMQAFA-YVSFHVDLSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792498 1224614126 /nfs/dbraw/zinc/61/41/26/1224614126.db2.gz NJXLSMWRKLOVAW-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792498 1224614131 /nfs/dbraw/zinc/61/41/31/1224614131.db2.gz NJXLSMWRKLOVAW-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792498 1224614137 /nfs/dbraw/zinc/61/41/37/1224614137.db2.gz NJXLSMWRKLOVAW-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001219792498 1224614141 /nfs/dbraw/zinc/61/41/41/1224614141.db2.gz NJXLSMWRKLOVAW-OTWHNJEPSA-N 2 1 367.534 0.942 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109719019 1200484366 /nfs/dbraw/zinc/48/43/66/1200484366.db2.gz RGPDZPYKUPDZQR-BGTYHANMSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719019 1200484370 /nfs/dbraw/zinc/48/43/70/1200484370.db2.gz RGPDZPYKUPDZQR-BGTYHANMSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719019 1200484377 /nfs/dbraw/zinc/48/43/77/1200484377.db2.gz RGPDZPYKUPDZQR-BGTYHANMSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109733240 1200494286 /nfs/dbraw/zinc/49/42/86/1200494286.db2.gz JXBGWQSELSQCPT-NRKLIOEPSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001109735662 1200494799 /nfs/dbraw/zinc/49/47/99/1200494799.db2.gz RCIHAPCPZIGHBX-BDXSIMOUSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)CC1 ZINC001109902583 1200602451 /nfs/dbraw/zinc/60/24/51/1200602451.db2.gz RBUZHUZUIAQNLZ-PVAVHDDUSA-N 2 1 362.478 0.110 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001109982518 1200675235 /nfs/dbraw/zinc/67/52/35/1200675235.db2.gz GUQJRJLZMASWPA-OWSLCNJRSA-N 2 1 363.502 0.999 20 0 FCADMP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001109982385 1200675284 /nfs/dbraw/zinc/67/52/84/1200675284.db2.gz AVMFTQBEKXZLMR-IKGGRYGDSA-N 2 1 360.502 0.815 20 0 FCADMP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001109982385 1200675288 /nfs/dbraw/zinc/67/52/88/1200675288.db2.gz AVMFTQBEKXZLMR-IKGGRYGDSA-N 2 1 360.502 0.815 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805853 1224625647 /nfs/dbraw/zinc/62/56/47/1224625647.db2.gz UHXNFEQHWAGGMV-CEXWTWQISA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219805853 1224625655 /nfs/dbraw/zinc/62/56/55/1224625655.db2.gz UHXNFEQHWAGGMV-CEXWTWQISA-N 2 1 361.486 0.875 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O)C1CCC1 ZINC001219815598 1224631728 /nfs/dbraw/zinc/63/17/28/1224631728.db2.gz AJZMTXYGFSPJGW-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O)C1CCC1 ZINC001219815598 1224631730 /nfs/dbraw/zinc/63/17/30/1224631730.db2.gz AJZMTXYGFSPJGW-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)C1CCC1 ZINC001219815598 1224631733 /nfs/dbraw/zinc/63/17/33/1224631733.db2.gz AJZMTXYGFSPJGW-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)C1CCC1 ZINC001219815598 1224631735 /nfs/dbraw/zinc/63/17/35/1224631735.db2.gz AJZMTXYGFSPJGW-MSOLQXFVSA-N 2 1 365.449 0.850 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001090438623 1200815007 /nfs/dbraw/zinc/81/50/07/1200815007.db2.gz RYCZALJENRLSQJ-IAGOWNOFSA-N 2 1 361.490 0.889 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(C)C)C1 ZINC001112579002 1200818023 /nfs/dbraw/zinc/81/80/23/1200818023.db2.gz RMPSTVZWUSCUFJ-LPHOPBHVSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001090440535 1200833022 /nfs/dbraw/zinc/83/30/22/1200833022.db2.gz ZBBXNKAGXHAUJB-JFIYKMOQSA-N 2 1 361.490 0.880 20 0 FCADMP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001090440537 1200833110 /nfs/dbraw/zinc/83/31/10/1200833110.db2.gz ZBBXNKAGXHAUJB-NUJGCVRESA-N 2 1 361.490 0.880 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001219830279 1224642079 /nfs/dbraw/zinc/64/20/79/1224642079.db2.gz UJFGLTTXCWTJHM-XHSDSOJGSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219830279 1224642081 /nfs/dbraw/zinc/64/20/81/1224642081.db2.gz UJFGLTTXCWTJHM-XHSDSOJGSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830279 1224642084 /nfs/dbraw/zinc/64/20/84/1224642084.db2.gz UJFGLTTXCWTJHM-XHSDSOJGSA-N 2 1 365.478 0.346 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830279 1224642088 /nfs/dbraw/zinc/64/20/88/1224642088.db2.gz UJFGLTTXCWTJHM-XHSDSOJGSA-N 2 1 365.478 0.346 20 0 FCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]c2cccc(=NN3C(=O)CCC3=O)[nH]2)O1 ZINC001170276282 1201204715 /nfs/dbraw/zinc/20/47/15/1201204715.db2.gz BUFFMAGXCSAYRB-PSTGCABASA-N 2 1 363.418 0.694 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793703549 1201258972 /nfs/dbraw/zinc/25/89/72/1201258972.db2.gz XUKDNFVZQQRVCN-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)CC[N@@H+]1C ZINC001114298302 1201292354 /nfs/dbraw/zinc/29/23/54/1201292354.db2.gz HNJPSUOJEAAWLP-PVWIJFIWSA-N 2 1 360.458 0.282 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)CC[N@H+]1C ZINC001114298302 1201292363 /nfs/dbraw/zinc/29/23/63/1201292363.db2.gz HNJPSUOJEAAWLP-PVWIJFIWSA-N 2 1 360.458 0.282 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4ccco4)C[C@H]32)CC[NH+]1C ZINC001114298302 1201292369 /nfs/dbraw/zinc/29/23/69/1201292369.db2.gz HNJPSUOJEAAWLP-PVWIJFIWSA-N 2 1 360.458 0.282 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4ccco4)C[C@H]32)CC[NH+]1C ZINC001114298302 1201292376 /nfs/dbraw/zinc/29/23/76/1201292376.db2.gz HNJPSUOJEAAWLP-PVWIJFIWSA-N 2 1 360.458 0.282 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114304459 1201294184 /nfs/dbraw/zinc/29/41/84/1201294184.db2.gz RHHKHWLGMBBLFP-ZNFSNMQZSA-N 2 1 364.534 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001114304459 1201294188 /nfs/dbraw/zinc/29/41/88/1201294188.db2.gz RHHKHWLGMBBLFP-ZNFSNMQZSA-N 2 1 364.534 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114304459 1201294194 /nfs/dbraw/zinc/29/41/94/1201294194.db2.gz RHHKHWLGMBBLFP-ZNFSNMQZSA-N 2 1 364.534 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114304459 1201294198 /nfs/dbraw/zinc/29/41/98/1201294198.db2.gz RHHKHWLGMBBLFP-ZNFSNMQZSA-N 2 1 364.534 0.925 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412269 1201300094 /nfs/dbraw/zinc/30/00/94/1201300094.db2.gz OQGUXRKTHDVWDE-IMJJTQAJSA-N 2 1 361.450 0.021 20 0 FCADMP CO[C@@H](C)CN1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412269 1201300100 /nfs/dbraw/zinc/30/01/00/1201300100.db2.gz OQGUXRKTHDVWDE-IMJJTQAJSA-N 2 1 361.450 0.021 20 0 FCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686060 1201370646 /nfs/dbraw/zinc/37/06/46/1201370646.db2.gz VYBLUYLMIHOXMJ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129857652 1201406273 /nfs/dbraw/zinc/40/62/73/1201406273.db2.gz BHXDMHIFTOBZOY-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910215 1201422318 /nfs/dbraw/zinc/42/23/18/1201422318.db2.gz IOMNCKSNEMNCKJ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910483 1201423298 /nfs/dbraw/zinc/42/32/98/1201423298.db2.gz VIHIELJNZRLQNB-IKGGRYGDSA-N 2 1 364.494 0.531 20 0 FCADMP CC[C@H](C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894772 1201428334 /nfs/dbraw/zinc/42/83/34/1201428334.db2.gz RXKKIPNUCLSKMB-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984873 1201463594 /nfs/dbraw/zinc/46/35/94/1201463594.db2.gz GXBZDERQUWRRMO-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006187 1201476194 /nfs/dbraw/zinc/47/61/94/1201476194.db2.gz WZWYTPFRDJTUAS-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130034601 1201481978 /nfs/dbraw/zinc/48/19/78/1201481978.db2.gz UEDFGXOGJAWEES-BMFZPTHFSA-N 2 1 361.450 0.258 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130043811 1201485353 /nfs/dbraw/zinc/48/53/53/1201485353.db2.gz BASSULQZWLEQKH-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130081507 1201492760 /nfs/dbraw/zinc/49/27/60/1201492760.db2.gz RWEKVAYAAWFYTO-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085979 1201493998 /nfs/dbraw/zinc/49/39/98/1201493998.db2.gz GMNJLYOOVVNHBY-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130074598 1201494898 /nfs/dbraw/zinc/49/48/98/1201494898.db2.gz BSMKLJKOUIJYDZ-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137343 1201515364 /nfs/dbraw/zinc/51/53/64/1201515364.db2.gz UPIWBZWNLJGQBG-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC1CCC(N(C)C(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001130182308 1201522465 /nfs/dbraw/zinc/52/24/65/1201522465.db2.gz BQKYZYAZMZUDEL-MNAZLIDISA-N 2 1 368.522 0.448 20 0 FCADMP CC1CCC(N(C)C(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001130182308 1201522467 /nfs/dbraw/zinc/52/24/67/1201522467.db2.gz BQKYZYAZMZUDEL-MNAZLIDISA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccccc2)O1 ZINC001130182494 1201523043 /nfs/dbraw/zinc/52/30/43/1201523043.db2.gz KJJKNTXORQHHJT-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccccc2)O1 ZINC001130182494 1201523045 /nfs/dbraw/zinc/52/30/45/1201523045.db2.gz KJJKNTXORQHHJT-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1C ZINC001130180216 1201524927 /nfs/dbraw/zinc/52/49/27/1201524927.db2.gz HYMXMHWONQCFHT-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1C ZINC001130180216 1201524932 /nfs/dbraw/zinc/52/49/32/1201524932.db2.gz HYMXMHWONQCFHT-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1F ZINC001130184572 1201536936 /nfs/dbraw/zinc/53/69/36/1201536936.db2.gz VJWAJZRZHSTIQM-CZUORRHYSA-N 2 1 366.437 0.498 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1F ZINC001130184572 1201536939 /nfs/dbraw/zinc/53/69/39/1201536939.db2.gz VJWAJZRZHSTIQM-CZUORRHYSA-N 2 1 366.437 0.498 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCc3ccccc32)O1 ZINC001130184498 1201537202 /nfs/dbraw/zinc/53/72/02/1201537202.db2.gz SNRSIOVPHQUJCT-RHSMWYFYSA-N 2 1 360.458 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCc3ccccc32)O1 ZINC001130184498 1201537204 /nfs/dbraw/zinc/53/72/04/1201537204.db2.gz SNRSIOVPHQUJCT-RHSMWYFYSA-N 2 1 360.458 0.001 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001130233113 1201558575 /nfs/dbraw/zinc/55/85/75/1201558575.db2.gz YMYQWEUJBSCJHC-KBPBESRZSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001130233113 1201558578 /nfs/dbraw/zinc/55/85/78/1201558578.db2.gz YMYQWEUJBSCJHC-KBPBESRZSA-N 2 1 364.494 0.635 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001130238038 1201560865 /nfs/dbraw/zinc/56/08/65/1201560865.db2.gz QAQIGNDWXARQJN-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001130238038 1201560869 /nfs/dbraw/zinc/56/08/69/1201560869.db2.gz QAQIGNDWXARQJN-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001130238038 1201560871 /nfs/dbraw/zinc/56/08/71/1201560871.db2.gz QAQIGNDWXARQJN-ILXRZTDVSA-N 2 1 364.494 0.777 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130307443 1201582460 /nfs/dbraw/zinc/58/24/60/1201582460.db2.gz QACUPMCTXGMPIR-APWZRJJASA-N 2 1 368.522 0.186 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130307671 1201582624 /nfs/dbraw/zinc/58/26/24/1201582624.db2.gz YAXWOSRJEJFJKY-OGWOLHLISA-N 2 1 368.522 0.183 20 0 FCADMP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033789 1224732852 /nfs/dbraw/zinc/73/28/52/1224732852.db2.gz IVWKFBGNOAHGDT-FYHDCADNSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033789 1224732854 /nfs/dbraw/zinc/73/28/54/1224732854.db2.gz IVWKFBGNOAHGDT-FYHDCADNSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033789 1224732858 /nfs/dbraw/zinc/73/28/58/1224732858.db2.gz IVWKFBGNOAHGDT-FYHDCADNSA-N 2 1 363.502 0.757 20 0 FCADMP CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033473 1224733153 /nfs/dbraw/zinc/73/31/53/1224733153.db2.gz CZBCCVNERCPXIO-FWFFWDSWSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033473 1224733158 /nfs/dbraw/zinc/73/31/58/1224733158.db2.gz CZBCCVNERCPXIO-FWFFWDSWSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033473 1224733160 /nfs/dbraw/zinc/73/31/60/1224733160.db2.gz CZBCCVNERCPXIO-FWFFWDSWSA-N 2 1 365.518 0.837 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061494 1224741294 /nfs/dbraw/zinc/74/12/94/1224741294.db2.gz QGTRBGIQZADWRR-MOPGFXCFSA-N 2 1 363.502 0.992 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590584 1202725791 /nfs/dbraw/zinc/72/57/91/1202725791.db2.gz XSUZGCULYICEDF-JQHSSLGASA-N 2 1 363.506 0.823 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130604998 1202733274 /nfs/dbraw/zinc/73/32/74/1202733274.db2.gz UHTWTUWWNMRENE-CGTJXYLNSA-N 2 1 363.506 0.561 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2[NH2+]CCCO)c1 ZINC001130672097 1202751659 /nfs/dbraw/zinc/75/16/59/1202751659.db2.gz GQTPXGCGPCOETG-DOTOQJQBSA-N 2 1 365.522 0.664 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672563 1202752504 /nfs/dbraw/zinc/75/25/04/1202752504.db2.gz SYXUBMQSFXGFQE-SOLBZPMBSA-N 2 1 363.506 0.682 20 0 FCADMP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130692252 1202754648 /nfs/dbraw/zinc/75/46/48/1202754648.db2.gz AAEBNVVTWBJEOQ-FUHWJXTLSA-N 2 1 363.506 0.827 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130719666 1202766301 /nfs/dbraw/zinc/76/63/01/1202766301.db2.gz YNBFPWDNZQWQAW-XYJFISCASA-N 2 1 365.522 0.807 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]2[NH2+]CCCO)c1 ZINC001130721404 1202766417 /nfs/dbraw/zinc/76/64/17/1202766417.db2.gz GCCYVJHLTJCKAR-WDYCEAGBSA-N 2 1 361.490 0.172 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726169 1202767278 /nfs/dbraw/zinc/76/72/78/1202767278.db2.gz NYMKMRNNXVERNP-XYJFISCASA-N 2 1 363.506 0.681 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726162 1202767477 /nfs/dbraw/zinc/76/74/77/1202767477.db2.gz NODVTZGGYHPDEF-UKPHBRMFSA-N 2 1 360.462 0.544 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)C1 ZINC001130731398 1202772106 /nfs/dbraw/zinc/77/21/06/1202772106.db2.gz BUWMNSADEAPLTQ-UAGQMJEPSA-N 2 1 367.469 0.384 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCF)C2)C1 ZINC001130731398 1202772108 /nfs/dbraw/zinc/77/21/08/1202772108.db2.gz BUWMNSADEAPLTQ-UAGQMJEPSA-N 2 1 367.469 0.384 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074022 1224746205 /nfs/dbraw/zinc/74/62/05/1224746205.db2.gz UHAYRDXGLVKRHA-MSOLQXFVSA-N 2 1 371.522 0.465 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074022 1224746206 /nfs/dbraw/zinc/74/62/06/1224746206.db2.gz UHAYRDXGLVKRHA-MSOLQXFVSA-N 2 1 371.522 0.465 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074022 1224746207 /nfs/dbraw/zinc/74/62/07/1224746207.db2.gz UHAYRDXGLVKRHA-MSOLQXFVSA-N 2 1 371.522 0.465 20 0 FCADMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031567 1202845983 /nfs/dbraw/zinc/84/59/83/1202845983.db2.gz RFDXWXWLZIHSMP-BZUAXINKSA-N 2 1 360.462 0.544 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000807777888 1202851038 /nfs/dbraw/zinc/85/10/38/1202851038.db2.gz VJKDTNYBDDEIAF-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108073 1202864170 /nfs/dbraw/zinc/86/41/70/1202864170.db2.gz IJWGLXJCKISWFU-GVDBMIGSSA-N 2 1 363.506 0.682 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121354 1202865816 /nfs/dbraw/zinc/86/58/16/1202865816.db2.gz UKASULARUXICOZ-FVQBIDKESA-N 2 1 360.462 0.544 20 0 FCADMP CC(=O)NCC[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000808216604 1202876463 /nfs/dbraw/zinc/87/64/63/1202876463.db2.gz BZGDJWCIKQIDQV-OAHLLOKOSA-N 2 1 365.478 0.198 20 0 FCADMP CC(=O)NCC[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000808216604 1202876466 /nfs/dbraw/zinc/87/64/66/1202876466.db2.gz BZGDJWCIKQIDQV-OAHLLOKOSA-N 2 1 365.478 0.198 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316509 1202886339 /nfs/dbraw/zinc/88/63/39/1202886339.db2.gz LRWZALUGCVHOTG-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001131316509 1202886341 /nfs/dbraw/zinc/88/63/41/1202886341.db2.gz LRWZALUGCVHOTG-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131316509 1202886342 /nfs/dbraw/zinc/88/63/42/1202886342.db2.gz LRWZALUGCVHOTG-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131316509 1202886343 /nfs/dbraw/zinc/88/63/43/1202886343.db2.gz LRWZALUGCVHOTG-XHSDSOJGSA-N 2 1 370.469 0.794 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086664978 1202886572 /nfs/dbraw/zinc/88/65/72/1202886572.db2.gz LFEQZWFUDBJEAQ-GVDBMIGSSA-N 2 1 364.494 0.100 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086664978 1202886574 /nfs/dbraw/zinc/88/65/74/1202886574.db2.gz LFEQZWFUDBJEAQ-GVDBMIGSSA-N 2 1 364.494 0.100 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131522389 1202911162 /nfs/dbraw/zinc/91/11/62/1202911162.db2.gz FTEVWMSJECDMLK-DDBAPUKQSA-N 2 1 369.506 0.338 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131522389 1202911166 /nfs/dbraw/zinc/91/11/66/1202911166.db2.gz FTEVWMSJECDMLK-DDBAPUKQSA-N 2 1 369.506 0.338 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131538624 1202912786 /nfs/dbraw/zinc/91/27/86/1202912786.db2.gz QELDOWUDVMSBJN-MLHJIOFPSA-N 2 1 369.506 0.074 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131588162 1202916516 /nfs/dbraw/zinc/91/65/16/1202916516.db2.gz UXRSPQHXUQZSTR-LESCRADOSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131588161 1202916652 /nfs/dbraw/zinc/91/66/52/1202916652.db2.gz UXRSPQHXUQZSTR-KYJSFNMBSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086716920 1203012487 /nfs/dbraw/zinc/01/24/87/1203012487.db2.gz XPFKVCLYAIHMQS-ARFHVFGLSA-N 2 1 363.510 0.563 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)C1 ZINC001086716920 1203012489 /nfs/dbraw/zinc/01/24/89/1203012489.db2.gz XPFKVCLYAIHMQS-ARFHVFGLSA-N 2 1 363.510 0.563 20 0 FCADMP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126398 1203015716 /nfs/dbraw/zinc/01/57/16/1203015716.db2.gz OSTAAKAFSYXYQO-MSOLQXFVSA-N 2 1 356.474 0.849 20 0 FCADMP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126350 1203015748 /nfs/dbraw/zinc/01/57/48/1203015748.db2.gz MFDLBMPENKTLFO-MSOLQXFVSA-N 2 1 360.502 0.954 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn2cc[nH+]c12 ZINC000815506612 1203039494 /nfs/dbraw/zinc/03/94/94/1203039494.db2.gz DPVNKTAPAILOLW-LSDHHAIUSA-N 2 1 357.414 0.561 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn2cc[nH+]c12 ZINC000815506612 1203039498 /nfs/dbraw/zinc/03/94/98/1203039498.db2.gz DPVNKTAPAILOLW-LSDHHAIUSA-N 2 1 357.414 0.561 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn2cc[nH+]c12 ZINC000815506611 1203039597 /nfs/dbraw/zinc/03/95/97/1203039597.db2.gz DPVNKTAPAILOLW-HUUCEWRRSA-N 2 1 357.414 0.561 20 0 FCADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn2cc[nH+]c12 ZINC000815506611 1203039598 /nfs/dbraw/zinc/03/95/98/1203039598.db2.gz DPVNKTAPAILOLW-HUUCEWRRSA-N 2 1 357.414 0.561 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC001086785402 1203091015 /nfs/dbraw/zinc/09/10/15/1203091015.db2.gz XVZJVHZLHZJYEQ-JZXOWHBKSA-N 2 1 363.506 0.904 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001086785156 1203092363 /nfs/dbraw/zinc/09/23/63/1203092363.db2.gz MABAAIMZCAFDDV-BBWFWOEESA-N 2 1 364.494 0.262 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001086785228 1203092377 /nfs/dbraw/zinc/09/23/77/1203092377.db2.gz OWDLYJRJWLIMFE-RCCFBDPRSA-N 2 1 363.506 0.867 20 0 FCADMP CC(=O)NCCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861283 1203100362 /nfs/dbraw/zinc/10/03/62/1203100362.db2.gz BCTYGOAMLLDQMH-JFIYKMOQSA-N 2 1 370.538 0.744 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)c1 ZINC000817936693 1203126973 /nfs/dbraw/zinc/12/69/73/1203126973.db2.gz LWFRCSKCCPTLCJ-IBGZPJMESA-N 2 1 357.458 0.393 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@@H]1Cc1ccccc1 ZINC000817993311 1203132169 /nfs/dbraw/zinc/13/21/69/1203132169.db2.gz FGNHFZNEEKEVDP-RXVVDRJESA-N 2 1 370.497 0.726 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@@H]1Cc1ccccc1 ZINC000817993311 1203132172 /nfs/dbraw/zinc/13/21/72/1203132172.db2.gz FGNHFZNEEKEVDP-RXVVDRJESA-N 2 1 370.497 0.726 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899871 1203137174 /nfs/dbraw/zinc/13/71/74/1203137174.db2.gz YPJVHMPYEQIYGT-HIFRSBDPSA-N 3 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1N[C@H](N)CCC[NH3+] ZINC001170899871 1203137177 /nfs/dbraw/zinc/13/71/77/1203137177.db2.gz YPJVHMPYEQIYGT-HIFRSBDPSA-N 2 1 367.494 0.623 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1N[C@H](N)CCC[NH3+] ZINC001170899871 1203137179 /nfs/dbraw/zinc/13/71/79/1203137179.db2.gz YPJVHMPYEQIYGT-HIFRSBDPSA-N 2 1 367.494 0.623 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001110104400 1203215822 /nfs/dbraw/zinc/21/58/22/1203215822.db2.gz TWBZUYLSFRFNHZ-BDXSIMOUSA-N 2 1 361.490 0.573 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1 ZINC001220227069 1224809630 /nfs/dbraw/zinc/80/96/30/1224809630.db2.gz GRGKRFBRYOTNSQ-MSOLQXFVSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1 ZINC001220227069 1224809633 /nfs/dbraw/zinc/80/96/33/1224809633.db2.gz GRGKRFBRYOTNSQ-MSOLQXFVSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220238423 1224813220 /nfs/dbraw/zinc/81/32/20/1224813220.db2.gz VXMRQXMFHADLPI-MOPGFXCFSA-N 2 1 361.486 0.762 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001220273295 1224819025 /nfs/dbraw/zinc/81/90/25/1224819025.db2.gz GTSYHVCKEUURFW-MSOLQXFVSA-N 2 1 357.458 0.485 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220289696 1224821512 /nfs/dbraw/zinc/82/15/12/1224821512.db2.gz ARBJLUOBGXPMCR-CEXWTWQISA-N 2 1 363.502 0.985 20 0 FCADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCN(c2ncccn2)CC1 ZINC000844222742 1204379348 /nfs/dbraw/zinc/37/93/48/1204379348.db2.gz KPYXCOXEKHOYSC-UHFFFAOYSA-N 2 1 358.490 0.591 20 0 FCADMP COC(=O)[C@@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C1CC1 ZINC000844763542 1204434233 /nfs/dbraw/zinc/43/42/33/1204434233.db2.gz BAERVRNCNIUFRE-FCEWJHQRSA-N 2 1 363.458 0.992 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H]1C1CC1 ZINC000844763542 1204434239 /nfs/dbraw/zinc/43/42/39/1204434239.db2.gz BAERVRNCNIUFRE-FCEWJHQRSA-N 2 1 363.458 0.992 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336364 1224831812 /nfs/dbraw/zinc/83/18/12/1224831812.db2.gz RNCBUBBBHHANHV-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)[NH+](CC)CC ZINC001220336364 1224831815 /nfs/dbraw/zinc/83/18/15/1224831815.db2.gz RNCBUBBBHHANHV-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845445598 1204501596 /nfs/dbraw/zinc/50/15/96/1204501596.db2.gz BYRYPRQJXWEKDH-LSDHHAIUSA-N 2 1 372.510 0.356 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845483057 1204524016 /nfs/dbraw/zinc/52/40/16/1204524016.db2.gz JUOXZKONYZBFNV-LSDHHAIUSA-N 2 1 371.526 0.193 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352053 1224840413 /nfs/dbraw/zinc/84/04/13/1224840413.db2.gz RMARTXFLHHSHRF-QRQLOZEOSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352053 1224840416 /nfs/dbraw/zinc/84/04/16/1224840416.db2.gz RMARTXFLHHSHRF-QRQLOZEOSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352053 1224840420 /nfs/dbraw/zinc/84/04/20/1224840420.db2.gz RMARTXFLHHSHRF-QRQLOZEOSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220352053 1224840421 /nfs/dbraw/zinc/84/04/21/1224840421.db2.gz RMARTXFLHHSHRF-QRQLOZEOSA-N 2 1 361.486 0.849 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357686 1224842568 /nfs/dbraw/zinc/84/25/68/1224842568.db2.gz PHUZLLCNVPZTEL-MOPGFXCFSA-N 2 1 363.502 0.992 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369590 1224846122 /nfs/dbraw/zinc/84/61/22/1224846122.db2.gz KUMJBRQOGXTRNL-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369590 1224846126 /nfs/dbraw/zinc/84/61/26/1224846126.db2.gz KUMJBRQOGXTRNL-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369590 1224846129 /nfs/dbraw/zinc/84/61/29/1224846129.db2.gz KUMJBRQOGXTRNL-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O)CC(C)(C)C ZINC001220369590 1224846131 /nfs/dbraw/zinc/84/61/31/1224846131.db2.gz KUMJBRQOGXTRNL-BBWFWOEESA-N 2 1 371.522 0.321 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565355 1204726089 /nfs/dbraw/zinc/72/60/89/1204726089.db2.gz LVEBNIAMGJQUQA-AOIWGVFYSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565355 1204726098 /nfs/dbraw/zinc/72/60/98/1204726098.db2.gz LVEBNIAMGJQUQA-AOIWGVFYSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565355 1204726102 /nfs/dbraw/zinc/72/61/02/1204726102.db2.gz LVEBNIAMGJQUQA-AOIWGVFYSA-N 2 1 361.490 0.074 20 0 FCADMP Cn1cc(CC[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565355 1204726107 /nfs/dbraw/zinc/72/61/07/1204726107.db2.gz LVEBNIAMGJQUQA-AOIWGVFYSA-N 2 1 361.490 0.074 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091676994 1204817560 /nfs/dbraw/zinc/81/75/60/1204817560.db2.gz HSPWDBSXWUNRAH-MDYRTPRTSA-N 2 1 360.502 0.387 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673113 1204818993 /nfs/dbraw/zinc/81/89/93/1204818993.db2.gz ZMECAVJAFDFNSW-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091683143 1204821396 /nfs/dbraw/zinc/82/13/96/1204821396.db2.gz HDPOMNGMQNRQJE-NNFUDEMPSA-N 2 1 363.506 0.132 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683143 1204821397 /nfs/dbraw/zinc/82/13/97/1204821397.db2.gz HDPOMNGMQNRQJE-NNFUDEMPSA-N 2 1 363.506 0.132 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683143 1204821399 /nfs/dbraw/zinc/82/13/99/1204821399.db2.gz HDPOMNGMQNRQJE-NNFUDEMPSA-N 2 1 363.506 0.132 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735057 1204836224 /nfs/dbraw/zinc/83/62/24/1204836224.db2.gz HDBFWUUFQXOLDG-APWZRJJASA-N 2 1 362.518 0.873 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738158 1204837698 /nfs/dbraw/zinc/83/76/98/1204837698.db2.gz RMKLGWSQABDJON-AYBZRNKSSA-N 2 1 360.506 0.919 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738158 1204837699 /nfs/dbraw/zinc/83/76/99/1204837699.db2.gz RMKLGWSQABDJON-AYBZRNKSSA-N 2 1 360.506 0.919 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091741078 1204838550 /nfs/dbraw/zinc/83/85/50/1204838550.db2.gz YQHKGMYUJCPAJC-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091741078 1204838551 /nfs/dbraw/zinc/83/85/51/1204838551.db2.gz YQHKGMYUJCPAJC-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091741078 1204838555 /nfs/dbraw/zinc/83/85/55/1204838555.db2.gz YQHKGMYUJCPAJC-UZLBHIALSA-N 2 1 362.518 0.873 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086875567 1204858545 /nfs/dbraw/zinc/85/85/45/1204858545.db2.gz XLIXJGHQBYBQBV-HRCADAONSA-N 2 1 363.510 0.799 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996706 1204887347 /nfs/dbraw/zinc/88/73/47/1204887347.db2.gz QYEWFJDYQUNQLC-HYVNUMGLSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]Cc2ccon2)cn1 ZINC001087006099 1204895360 /nfs/dbraw/zinc/89/53/60/1204895360.db2.gz ICYCFBVTMADDBM-DLBZAZTESA-N 2 1 370.457 0.588 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087059410 1204944243 /nfs/dbraw/zinc/94/42/43/1204944243.db2.gz DGEXKIQFLDGCFU-GDBMZVCRSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087063193 1204950421 /nfs/dbraw/zinc/95/04/21/1204950421.db2.gz MFOHVIDVAIEESN-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087083931 1204972249 /nfs/dbraw/zinc/97/22/49/1204972249.db2.gz YLEZRVMHJPBRLV-BZUAXINKSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087101496 1204999904 /nfs/dbraw/zinc/99/99/04/1204999904.db2.gz NLBLUNCGMTWOSN-NVXWUHKLSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087096436 1205003887 /nfs/dbraw/zinc/00/38/87/1205003887.db2.gz MXBOBPAKAPYOPF-BZUAXINKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087096614 1205004799 /nfs/dbraw/zinc/00/47/99/1205004799.db2.gz VBSHTIRZIINGBW-ARFHVFGLSA-N 2 1 364.494 0.408 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782760 1205027929 /nfs/dbraw/zinc/02/79/29/1205027929.db2.gz DCQZUXKZNHRJKZ-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1nocc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782760 1205027934 /nfs/dbraw/zinc/02/79/34/1205027934.db2.gz DCQZUXKZNHRJKZ-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1nocc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782760 1205027937 /nfs/dbraw/zinc/02/79/37/1205027937.db2.gz DCQZUXKZNHRJKZ-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP Cc1nocc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782760 1205027941 /nfs/dbraw/zinc/02/79/41/1205027941.db2.gz DCQZUXKZNHRJKZ-QUIPCFFLSA-N 2 1 362.474 0.982 20 0 FCADMP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091823432 1205043720 /nfs/dbraw/zinc/04/37/20/1205043720.db2.gz CITUBCQSMSQWNV-UZLBHIALSA-N 2 1 367.453 0.961 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001091857560 1205053153 /nfs/dbraw/zinc/05/31/53/1205053153.db2.gz MFHCNNKVWKJVJU-GJYPPUQNSA-N 2 1 369.473 0.751 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001091857560 1205053156 /nfs/dbraw/zinc/05/31/56/1205053156.db2.gz MFHCNNKVWKJVJU-GJYPPUQNSA-N 2 1 369.473 0.751 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CC1 ZINC001091975067 1205105484 /nfs/dbraw/zinc/10/54/84/1205105484.db2.gz FQVXNJIKSCPATE-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001092102489 1205159591 /nfs/dbraw/zinc/15/95/91/1205159591.db2.gz FLYSEHARENLYOC-CABCVRRESA-N 2 1 358.450 0.183 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001092203158 1205197466 /nfs/dbraw/zinc/19/74/66/1205197466.db2.gz GFHMHWFRRABWGW-APWZRJJASA-N 2 1 360.502 0.485 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001092275384 1205222763 /nfs/dbraw/zinc/22/27/63/1205222763.db2.gz ZVYCWWAJECOOCX-UWVAXJGDSA-N 2 1 362.518 0.872 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301357 1205234125 /nfs/dbraw/zinc/23/41/25/1205234125.db2.gz FKMXKHUCBMPUGS-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301357 1205234129 /nfs/dbraw/zinc/23/41/29/1205234129.db2.gz FKMXKHUCBMPUGS-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092301357 1205234135 /nfs/dbraw/zinc/23/41/35/1205234135.db2.gz FKMXKHUCBMPUGS-SYNHAJSKSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293182 1205257580 /nfs/dbraw/zinc/25/75/80/1205257580.db2.gz XGZPTXOZHAEYBE-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293182 1205257583 /nfs/dbraw/zinc/25/75/83/1205257583.db2.gz XGZPTXOZHAEYBE-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293182 1205257589 /nfs/dbraw/zinc/25/75/89/1205257589.db2.gz XGZPTXOZHAEYBE-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccnn4C)C[C@@]3(C)C2)C1 ZINC001092293182 1205257594 /nfs/dbraw/zinc/25/75/94/1205257594.db2.gz XGZPTXOZHAEYBE-AYBZRNKSSA-N 2 1 361.490 0.421 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521875 1205302729 /nfs/dbraw/zinc/30/27/29/1205302729.db2.gz GCUYHJREMBGSOV-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521875 1205302732 /nfs/dbraw/zinc/30/27/32/1205302732.db2.gz GCUYHJREMBGSOV-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521875 1205302735 /nfs/dbraw/zinc/30/27/35/1205302735.db2.gz GCUYHJREMBGSOV-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)cn1 ZINC001092521875 1205302738 /nfs/dbraw/zinc/30/27/38/1205302738.db2.gz GCUYHJREMBGSOV-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H](C)C2)n1 ZINC001092611007 1205319553 /nfs/dbraw/zinc/31/95/53/1205319553.db2.gz DICLUFZTOYZMDV-KYJSFNMBSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H](C)C2)n1 ZINC001092611007 1205319554 /nfs/dbraw/zinc/31/95/54/1205319554.db2.gz DICLUFZTOYZMDV-KYJSFNMBSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611288 1205319868 /nfs/dbraw/zinc/31/98/68/1205319868.db2.gz PTEHCJVMVDUSKP-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611288 1205319870 /nfs/dbraw/zinc/31/98/70/1205319870.db2.gz PTEHCJVMVDUSKP-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220478649 1224885637 /nfs/dbraw/zinc/88/56/37/1224885637.db2.gz GGNJEHWOUNRTLZ-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220491759 1224890665 /nfs/dbraw/zinc/89/06/65/1224890665.db2.gz CUKZNTZAZHLFOB-OKYOBFRVSA-N 2 1 370.497 0.629 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517183 1224900658 /nfs/dbraw/zinc/90/06/58/1224900658.db2.gz ZWJBVPNSHLWXAF-SJORKVTESA-N 2 1 367.494 0.035 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931211 1205961817 /nfs/dbraw/zinc/96/18/17/1205961817.db2.gz HGYNDUOZHJWXNL-CRAIPNDOSA-N 2 1 360.502 0.911 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093121220 1206026847 /nfs/dbraw/zinc/02/68/47/1206026847.db2.gz ZPZWOWHGHVJNPX-IIDMSEBBSA-N 2 1 364.534 0.927 20 0 FCADMP CCCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133134 1206033047 /nfs/dbraw/zinc/03/30/47/1206033047.db2.gz RXKCMQQJLARVKP-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP CCCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133134 1206033050 /nfs/dbraw/zinc/03/30/50/1206033050.db2.gz RXKCMQQJLARVKP-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCCC1 ZINC001220553945 1224925659 /nfs/dbraw/zinc/92/56/59/1224925659.db2.gz ZNXKEIKUNRPVPT-FGTMMUONSA-N 2 1 369.506 0.075 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1)C1CCCC1 ZINC001220553945 1224925663 /nfs/dbraw/zinc/92/56/63/1224925663.db2.gz ZNXKEIKUNRPVPT-FGTMMUONSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208722 1206056988 /nfs/dbraw/zinc/05/69/88/1206056988.db2.gz CMXRRAQENZQTID-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208722 1206056991 /nfs/dbraw/zinc/05/69/91/1206056991.db2.gz CMXRRAQENZQTID-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208722 1206056992 /nfs/dbraw/zinc/05/69/92/1206056992.db2.gz CMXRRAQENZQTID-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)C1 ZINC001093208722 1206056994 /nfs/dbraw/zinc/05/69/94/1206056994.db2.gz CMXRRAQENZQTID-KBAYOESNSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093821555 1206123394 /nfs/dbraw/zinc/12/33/94/1206123394.db2.gz BLNKBWNGKYJRFW-IIAWOOMASA-N 2 1 357.462 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093931336 1206151995 /nfs/dbraw/zinc/15/19/95/1206151995.db2.gz PALRFHMQDVKIDR-RMEMFKQDSA-N 2 1 371.485 0.524 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001093992319 1206165554 /nfs/dbraw/zinc/16/55/54/1206165554.db2.gz OBPGLYAWJMPTIF-UNEWFSDZSA-N 2 1 365.478 0.671 20 0 FCADMP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001093992319 1206165555 /nfs/dbraw/zinc/16/55/55/1206165555.db2.gz OBPGLYAWJMPTIF-UNEWFSDZSA-N 2 1 365.478 0.671 20 0 FCADMP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c(C)n1 ZINC001094218973 1206202720 /nfs/dbraw/zinc/20/27/20/1206202720.db2.gz BCEXLCHOCMMXBB-UKPHBRMFSA-N 2 1 361.490 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094220716 1206203256 /nfs/dbraw/zinc/20/32/56/1206203256.db2.gz PMFYPSRPYMBRKT-FHLIZLRMSA-N 2 1 358.486 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001094221180 1206204008 /nfs/dbraw/zinc/20/40/08/1206204008.db2.gz VSPVKNXBEIDGOZ-HUUCEWRRSA-N 2 1 363.510 0.708 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)C1 ZINC001094234172 1206208733 /nfs/dbraw/zinc/20/87/33/1206208733.db2.gz QINFDKRUCAHIKA-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)C1 ZINC001094234172 1206208737 /nfs/dbraw/zinc/20/87/37/1206208737.db2.gz QINFDKRUCAHIKA-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC4CCCC4)C3)C2)CC[N@H+]1C ZINC001094738861 1206245282 /nfs/dbraw/zinc/24/52/82/1206245282.db2.gz OZJYJZPMRWOKCT-QGPMSJSTSA-N 2 1 362.518 0.918 20 0 FCADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173575722 1206281885 /nfs/dbraw/zinc/28/18/85/1206281885.db2.gz FZZCVIYKGQLTPK-BQJWPVKWSA-N 2 1 367.490 0.437 20 0 FCADMP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580220 1206282514 /nfs/dbraw/zinc/28/25/14/1206282514.db2.gz RQRSRZIDLRNQGQ-QDMKHBRRSA-N 2 1 372.462 0.544 20 0 FCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580220 1206282517 /nfs/dbraw/zinc/28/25/17/1206282517.db2.gz RQRSRZIDLRNQGQ-QDMKHBRRSA-N 2 1 372.462 0.544 20 0 FCADMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC2)CC1 ZINC001173758879 1206288849 /nfs/dbraw/zinc/28/88/49/1206288849.db2.gz HIDUKZUIFGLMFU-SJORKVTESA-N 2 1 361.494 0.643 20 0 FCADMP CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001178810255 1206365408 /nfs/dbraw/zinc/36/54/08/1206365408.db2.gz ASZUUMXVQYTPEH-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001178810255 1206365411 /nfs/dbraw/zinc/36/54/11/1206365411.db2.gz ASZUUMXVQYTPEH-BRWVUGGUSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC2CC2)O1 ZINC001178810293 1206365544 /nfs/dbraw/zinc/36/55/44/1206365544.db2.gz BHWHUPJLAIRPIT-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC2CC2)O1 ZINC001178810293 1206365546 /nfs/dbraw/zinc/36/55/46/1206365546.db2.gz BHWHUPJLAIRPIT-NVXWUHKLSA-N 2 1 368.522 0.498 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178949730 1206368670 /nfs/dbraw/zinc/36/86/70/1206368670.db2.gz UMSLPHLHPIVHDC-UYAOXDASSA-N 2 1 364.534 0.441 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178949730 1206368672 /nfs/dbraw/zinc/36/86/72/1206368672.db2.gz UMSLPHLHPIVHDC-UYAOXDASSA-N 2 1 364.534 0.441 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC(C)(C)C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178982979 1206369807 /nfs/dbraw/zinc/36/98/07/1206369807.db2.gz UZBGRKDRMGRYCY-FXUDXRNXSA-N 2 1 368.522 0.447 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC(C)(C)C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982979 1206369809 /nfs/dbraw/zinc/36/98/09/1206369809.db2.gz UZBGRKDRMGRYCY-FXUDXRNXSA-N 2 1 368.522 0.447 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220583412 1224949270 /nfs/dbraw/zinc/94/92/70/1224949270.db2.gz XBLVBQNKCRPLPV-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001220583412 1224949273 /nfs/dbraw/zinc/94/92/73/1224949273.db2.gz XBLVBQNKCRPLPV-OAGGEKHMSA-N 2 1 363.458 0.330 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001180409399 1206395065 /nfs/dbraw/zinc/39/50/65/1206395065.db2.gz GUTGFNLQFAEGAL-JKSUJKDBSA-N 2 1 369.425 0.383 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ccnn1C ZINC001181873704 1206416595 /nfs/dbraw/zinc/41/65/95/1206416595.db2.gz FSVDPXZJCRWNSZ-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ccnn1C ZINC001181873704 1206416600 /nfs/dbraw/zinc/41/66/00/1206416600.db2.gz FSVDPXZJCRWNSZ-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP COCCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885286 1206416784 /nfs/dbraw/zinc/41/67/84/1206416784.db2.gz ULCXPJJWNVHHRP-YWTNHNAXSA-N 2 1 371.522 0.443 20 0 FCADMP COCCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885286 1206416785 /nfs/dbraw/zinc/41/67/85/1206416785.db2.gz ULCXPJJWNVHHRP-YWTNHNAXSA-N 2 1 371.522 0.443 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cn(C)nn1 ZINC001181885039 1206416942 /nfs/dbraw/zinc/41/69/42/1206416942.db2.gz PYDYRXUWRRPFKE-GZOSKZMVSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cn(C)nn1 ZINC001181885039 1206416944 /nfs/dbraw/zinc/41/69/44/1206416944.db2.gz PYDYRXUWRRPFKE-GZOSKZMVSA-N 2 1 364.494 0.108 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183669457 1206458030 /nfs/dbraw/zinc/45/80/30/1206458030.db2.gz HYHWMINNCJOQEX-KRWDZBQOSA-N 2 1 374.485 0.906 20 0 FCADMP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@H]1C(=O)NCC[NH2+]CCO ZINC001184441361 1206470125 /nfs/dbraw/zinc/47/01/25/1206470125.db2.gz CEAMDZPLCYYFCF-AWEZNQCLSA-N 2 1 372.510 0.404 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001185253604 1206477622 /nfs/dbraw/zinc/47/76/22/1206477622.db2.gz XDLQTZMZAJQZSM-KRWDZBQOSA-N 2 1 360.506 0.109 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001185258873 1206477977 /nfs/dbraw/zinc/47/79/77/1206477977.db2.gz ZLFUFDOVTSKUSY-GOSISDBHSA-N 2 1 368.485 0.961 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510674 1206487724 /nfs/dbraw/zinc/48/77/24/1206487724.db2.gz HPPUKUKJACWLQB-WNRNVDISSA-N 2 1 360.502 0.482 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326306 1206520953 /nfs/dbraw/zinc/52/09/53/1206520953.db2.gz KVNQYIVNOIXSLE-BHYGNILZSA-N 2 1 360.458 0.523 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325941 1206521085 /nfs/dbraw/zinc/52/10/85/1206521085.db2.gz FKUGZRMVBKQYHX-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2O)CC1 ZINC001220637298 1224978955 /nfs/dbraw/zinc/97/89/55/1224978955.db2.gz BBVXGRDKRHFUJR-MSOLQXFVSA-N 2 1 365.518 0.839 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CC45CCC[NH+]4CCC5)CC3)[C@@H]2C1 ZINC001273558824 1207444103 /nfs/dbraw/zinc/44/41/03/1207444103.db2.gz OWEVLMYOWKVJQC-HZPDHXFCSA-N 2 1 360.502 0.674 20 0 FCADMP Cc1nc2c([nH]1)C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001188383660 1207448989 /nfs/dbraw/zinc/44/89/89/1207448989.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 1 362.474 0.365 20 0 FCADMP Cc1nc2c([nH]1)CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)C2 ZINC001188383660 1207448990 /nfs/dbraw/zinc/44/89/90/1207448990.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 1 362.474 0.365 20 0 FCADMP Cc1nc2c([nH]1)CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001188383660 1207448991 /nfs/dbraw/zinc/44/89/91/1207448991.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 1 362.474 0.365 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405861 1207454229 /nfs/dbraw/zinc/45/42/29/1207454229.db2.gz QXKDUEMQXDDXPC-DOTOQJQBSA-N 2 1 359.474 0.529 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405861 1207454232 /nfs/dbraw/zinc/45/42/32/1207454232.db2.gz QXKDUEMQXDDXPC-DOTOQJQBSA-N 2 1 359.474 0.529 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405741 1207454487 /nfs/dbraw/zinc/45/44/87/1207454487.db2.gz PLBVUHYQQWQNHD-QILLFSRXSA-N 2 1 358.442 0.796 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610889 1207466588 /nfs/dbraw/zinc/46/65/88/1207466588.db2.gz SLKAQQUHHCICJN-KZIZELGASA-N 2 1 363.502 0.809 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956443 1207492438 /nfs/dbraw/zinc/49/24/38/1207492438.db2.gz JYKODWPLLWKWBV-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956443 1207492441 /nfs/dbraw/zinc/49/24/41/1207492441.db2.gz JYKODWPLLWKWBV-QLFBSQMISA-N 2 1 367.494 0.095 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971156 1207492743 /nfs/dbraw/zinc/49/27/43/1207492743.db2.gz OIXISJNJNXNXED-RCCFBDPRSA-N 2 1 367.534 0.894 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001188957288 1207492950 /nfs/dbraw/zinc/49/29/50/1207492950.db2.gz SJCGEPCIARPBHN-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001188957288 1207492955 /nfs/dbraw/zinc/49/29/55/1207492955.db2.gz SJCGEPCIARPBHN-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971563 1207493439 /nfs/dbraw/zinc/49/34/39/1207493439.db2.gz WLZHVOHIPHPLIW-YESZJQIVSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001189035231 1207497886 /nfs/dbraw/zinc/49/78/86/1207497886.db2.gz SZDTUVINRFDHML-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001189035231 1207497890 /nfs/dbraw/zinc/49/78/90/1207497890.db2.gz SZDTUVINRFDHML-ZWKOTPCHSA-N 2 1 358.486 0.787 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001189151213 1207512794 /nfs/dbraw/zinc/51/27/94/1207512794.db2.gz BUHMBYGRALWHFU-HRCADAONSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21)[NH+](C)C ZINC001189151213 1207512803 /nfs/dbraw/zinc/51/28/03/1207512803.db2.gz BUHMBYGRALWHFU-HRCADAONSA-N 2 1 367.538 0.957 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001189433800 1207550539 /nfs/dbraw/zinc/55/05/39/1207550539.db2.gz WCEFDZGEJDKYSE-DLBZAZTESA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001189433800 1207550549 /nfs/dbraw/zinc/55/05/49/1207550549.db2.gz WCEFDZGEJDKYSE-DLBZAZTESA-N 2 1 357.462 0.796 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732970 1207595778 /nfs/dbraw/zinc/59/57/78/1207595778.db2.gz SVRIPCAGXGCPKI-GBESFXJTSA-N 2 1 365.518 0.648 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819912 1207605620 /nfs/dbraw/zinc/60/56/20/1207605620.db2.gz DHMUYECTTFYZPR-YESZJQIVSA-N 2 1 366.506 0.107 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801385 1207610352 /nfs/dbraw/zinc/61/03/52/1207610352.db2.gz DRPJDCJJZFBLMP-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801385 1207610356 /nfs/dbraw/zinc/61/03/56/1207610356.db2.gz DRPJDCJJZFBLMP-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177402 1207658322 /nfs/dbraw/zinc/65/83/22/1207658322.db2.gz LOXPSUUBIMWVHC-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177402 1207658326 /nfs/dbraw/zinc/65/83/26/1207658326.db2.gz LOXPSUUBIMWVHC-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001190238765 1207666460 /nfs/dbraw/zinc/66/64/60/1207666460.db2.gz PSHROFZVDHJRLN-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001190238765 1207666469 /nfs/dbraw/zinc/66/64/69/1207666469.db2.gz PSHROFZVDHJRLN-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001190238765 1207666474 /nfs/dbraw/zinc/66/64/74/1207666474.db2.gz PSHROFZVDHJRLN-BZUAXINKSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001190248102 1207667515 /nfs/dbraw/zinc/66/75/15/1207667515.db2.gz WVYQBFKYMFLUGL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001190248102 1207667520 /nfs/dbraw/zinc/66/75/20/1207667520.db2.gz WVYQBFKYMFLUGL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001190248102 1207667526 /nfs/dbraw/zinc/66/75/26/1207667526.db2.gz WVYQBFKYMFLUGL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCCCOC)C2)CC[NH+]1C ZINC001190248102 1207667535 /nfs/dbraw/zinc/66/75/35/1207667535.db2.gz WVYQBFKYMFLUGL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCCCOC)C2)CC[NH+]1C ZINC001190248102 1207667542 /nfs/dbraw/zinc/66/75/42/1207667542.db2.gz WVYQBFKYMFLUGL-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350461 1207679631 /nfs/dbraw/zinc/67/96/31/1207679631.db2.gz DRHWGQVTVFJXNJ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350461 1207679635 /nfs/dbraw/zinc/67/96/35/1207679635.db2.gz DRHWGQVTVFJXNJ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190350461 1207679638 /nfs/dbraw/zinc/67/96/38/1207679638.db2.gz DRHWGQVTVFJXNJ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190350461 1207679641 /nfs/dbraw/zinc/67/96/41/1207679641.db2.gz DRHWGQVTVFJXNJ-LSDHHAIUSA-N 2 1 367.494 0.095 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1)C1CC1 ZINC001190467027 1207691107 /nfs/dbraw/zinc/69/11/07/1207691107.db2.gz KDHGBIKYGAWYEN-DOTOQJQBSA-N 2 1 359.474 0.817 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801778 1207809623 /nfs/dbraw/zinc/80/96/23/1207809623.db2.gz GKWPXAWMJNWOKP-FRRDWIJNSA-N 2 1 353.385 0.211 20 0 FCADMP CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801778 1207809620 /nfs/dbraw/zinc/80/96/20/1207809620.db2.gz GKWPXAWMJNWOKP-FRRDWIJNSA-N 2 1 353.385 0.211 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801778 1207809621 /nfs/dbraw/zinc/80/96/21/1207809621.db2.gz GKWPXAWMJNWOKP-FRRDWIJNSA-N 2 1 353.385 0.211 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001191801778 1207809622 /nfs/dbraw/zinc/80/96/22/1207809622.db2.gz GKWPXAWMJNWOKP-FRRDWIJNSA-N 2 1 353.385 0.211 20 0 FCADMP CN(C)c1cc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)ccn1 ZINC001193791915 1207889230 /nfs/dbraw/zinc/88/92/30/1207889230.db2.gz TXVAITFZWLSMQH-IAGOWNOFSA-N 2 1 361.490 0.293 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791937 1207889354 /nfs/dbraw/zinc/88/93/54/1207889354.db2.gz UHXNFEQHWAGGMV-GUDVDZBRSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1 ZINC001193791937 1207889355 /nfs/dbraw/zinc/88/93/55/1207889355.db2.gz UHXNFEQHWAGGMV-GUDVDZBRSA-N 2 1 361.486 0.875 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001193961187 1207901943 /nfs/dbraw/zinc/90/19/43/1207901943.db2.gz LTFULRJQNIVGCT-ZACQAIPSSA-N 2 1 366.510 0.196 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001194103094 1207918764 /nfs/dbraw/zinc/91/87/64/1207918764.db2.gz URWOMCKACUEURF-IAGOWNOFSA-N 2 1 369.506 0.075 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O)[NH+](C)C ZINC001194102977 1207919042 /nfs/dbraw/zinc/91/90/42/1207919042.db2.gz RFEGGNSOUDZNMC-GUDVDZBRSA-N 2 1 371.485 0.874 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O)[NH+](C)C ZINC001194102977 1207919045 /nfs/dbraw/zinc/91/90/45/1207919045.db2.gz RFEGGNSOUDZNMC-GUDVDZBRSA-N 2 1 371.485 0.874 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982692 1207986304 /nfs/dbraw/zinc/98/63/04/1207986304.db2.gz QAJDDCIWUJNKGD-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982692 1207986306 /nfs/dbraw/zinc/98/63/06/1207986306.db2.gz QAJDDCIWUJNKGD-IAGOWNOFSA-N 2 1 371.522 0.323 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006001 1207988482 /nfs/dbraw/zinc/98/84/82/1207988482.db2.gz BXBZBYJGOYKAKE-OWCLPIDISA-N 2 1 368.522 0.456 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006001 1207988485 /nfs/dbraw/zinc/98/84/85/1207988485.db2.gz BXBZBYJGOYKAKE-OWCLPIDISA-N 2 1 368.522 0.456 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2O)CC1 ZINC001195676807 1208032768 /nfs/dbraw/zinc/03/27/68/1208032768.db2.gz KUDSQFGIQGVZSN-QZTJIDSGSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001195701961 1208036280 /nfs/dbraw/zinc/03/62/80/1208036280.db2.gz VXMRQXMFHADLPI-RTBURBONSA-N 2 1 361.486 0.762 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001195900757 1208044430 /nfs/dbraw/zinc/04/44/30/1208044430.db2.gz QPJRMMLWSHCIAM-OKZBNKHCSA-N 2 1 371.522 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C[C@H](O)COCCOC)CC2)CC[NH+]1C ZINC001195900757 1208044433 /nfs/dbraw/zinc/04/44/33/1208044433.db2.gz QPJRMMLWSHCIAM-OKZBNKHCSA-N 2 1 371.522 0.275 20 0 FCADMP COc1ccc(OCCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195870541 1208045224 /nfs/dbraw/zinc/04/52/24/1208045224.db2.gz IEQDWWYWSJNRFB-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222316 1208067101 /nfs/dbraw/zinc/06/71/01/1208067101.db2.gz KORYUFNAYPLZAP-BZUAXINKSA-N 2 1 370.538 0.383 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196214369 1208067408 /nfs/dbraw/zinc/06/74/08/1208067408.db2.gz AJENDWRBCGTFLX-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196214369 1208067410 /nfs/dbraw/zinc/06/74/10/1208067410.db2.gz AJENDWRBCGTFLX-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196214369 1208067412 /nfs/dbraw/zinc/06/74/12/1208067412.db2.gz AJENDWRBCGTFLX-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196214369 1208067415 /nfs/dbraw/zinc/06/74/15/1208067415.db2.gz AJENDWRBCGTFLX-RTBURBONSA-N 2 1 363.502 0.749 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1)OC ZINC001196222030 1208067464 /nfs/dbraw/zinc/06/74/64/1208067464.db2.gz GDFBEXKKABTDAN-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1)OC ZINC001196222030 1208067467 /nfs/dbraw/zinc/06/74/67/1208067467.db2.gz GDFBEXKKABTDAN-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1)OC ZINC001196222030 1208067471 /nfs/dbraw/zinc/06/74/71/1208067471.db2.gz GDFBEXKKABTDAN-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1)OC ZINC001196222030 1208067474 /nfs/dbraw/zinc/06/74/74/1208067474.db2.gz GDFBEXKKABTDAN-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@@H+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001196269314 1208069402 /nfs/dbraw/zinc/06/94/02/1208069402.db2.gz SKXNAYTXXMYPOB-KZNAEPCWSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001196268303 1208069756 /nfs/dbraw/zinc/06/97/56/1208069756.db2.gz FRCQNYPQIOHIMN-KZNAEPCWSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268303 1208069758 /nfs/dbraw/zinc/06/97/58/1208069758.db2.gz FRCQNYPQIOHIMN-KZNAEPCWSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268303 1208069760 /nfs/dbraw/zinc/06/97/60/1208069760.db2.gz FRCQNYPQIOHIMN-KZNAEPCWSA-N 2 1 371.522 0.273 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268303 1208069765 /nfs/dbraw/zinc/06/97/65/1208069765.db2.gz FRCQNYPQIOHIMN-KZNAEPCWSA-N 2 1 371.522 0.273 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O)[NH+](C)C ZINC001196276341 1208071762 /nfs/dbraw/zinc/07/17/62/1208071762.db2.gz NDMGNSJIWAMTBN-CEXWTWQISA-N 2 1 361.486 0.761 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O)[NH+](C)C ZINC001196276341 1208071765 /nfs/dbraw/zinc/07/17/65/1208071765.db2.gz NDMGNSJIWAMTBN-CEXWTWQISA-N 2 1 361.486 0.761 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001196636935 1208098673 /nfs/dbraw/zinc/09/86/73/1208098673.db2.gz GGNJEHWOUNRTLZ-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)cc1 ZINC001196940930 1208124141 /nfs/dbraw/zinc/12/41/41/1208124141.db2.gz WHEGPONNEJACGC-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)cc1 ZINC001196940930 1208124144 /nfs/dbraw/zinc/12/41/44/1208124144.db2.gz WHEGPONNEJACGC-RTBURBONSA-N 2 1 361.486 0.950 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1O ZINC001196954211 1208125803 /nfs/dbraw/zinc/12/58/03/1208125803.db2.gz SRJIVRNBJMCBSA-CEXWTWQISA-N 2 1 359.470 0.558 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1O ZINC001196954211 1208125804 /nfs/dbraw/zinc/12/58/04/1208125804.db2.gz SRJIVRNBJMCBSA-CEXWTWQISA-N 2 1 359.470 0.558 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000724 1208128141 /nfs/dbraw/zinc/12/81/41/1208128141.db2.gz ITPFRQNNZKRESZ-USXIJHARSA-N 2 1 368.522 0.327 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000851 1208128203 /nfs/dbraw/zinc/12/82/03/1208128203.db2.gz MRSCLLXISKDIEG-GVDBMIGSSA-N 2 1 370.538 0.575 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001197050054 1208131847 /nfs/dbraw/zinc/13/18/47/1208131847.db2.gz UZHCWPBPGZBXAC-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@H]1O ZINC001197050054 1208131849 /nfs/dbraw/zinc/13/18/49/1208131849.db2.gz UZHCWPBPGZBXAC-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001197139690 1208138086 /nfs/dbraw/zinc/13/80/86/1208138086.db2.gz ODJBMCMEWKXMAQ-GVDBMIGSSA-N 2 1 368.522 0.135 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001197319355 1208152331 /nfs/dbraw/zinc/15/23/31/1208152331.db2.gz BBVXGRDKRHFUJR-QZTJIDSGSA-N 2 1 365.518 0.839 20 0 FCADMP C[N@H+]1CCCN(Cc2cccc(C(=O)n3cc(C[NH3+])cnc3=N)c2)CC1 ZINC001197521708 1208169732 /nfs/dbraw/zinc/16/97/32/1208169732.db2.gz YVWTXSQIQAMRKD-UHFFFAOYSA-N 2 1 354.458 0.647 20 0 FCADMP COc1cccc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826183 1208201667 /nfs/dbraw/zinc/20/16/67/1208201667.db2.gz PKOFAWQCJZZTOD-ZTFGCOKTSA-N 2 1 365.474 0.496 20 0 FCADMP COc1cccc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826183 1208201670 /nfs/dbraw/zinc/20/16/70/1208201670.db2.gz PKOFAWQCJZZTOD-ZTFGCOKTSA-N 2 1 365.474 0.496 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001197948647 1208208520 /nfs/dbraw/zinc/20/85/20/1208208520.db2.gz KKMPFOLKCUPHCY-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001197948647 1208208522 /nfs/dbraw/zinc/20/85/22/1208208522.db2.gz KKMPFOLKCUPHCY-IAGOWNOFSA-N 2 1 361.446 0.616 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH2+]CCCO ZINC001198776059 1208289684 /nfs/dbraw/zinc/28/96/84/1208289684.db2.gz MFYXNSDVKDFEGP-UWWQBHOKSA-N 2 1 365.474 0.544 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH2+]CCCO ZINC001198776059 1208289686 /nfs/dbraw/zinc/28/96/86/1208289686.db2.gz MFYXNSDVKDFEGP-UWWQBHOKSA-N 2 1 365.474 0.544 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH2+]CCCO ZINC001198776058 1208289898 /nfs/dbraw/zinc/28/98/98/1208289898.db2.gz MFYXNSDVKDFEGP-QGPMSJSTSA-N 2 1 365.474 0.544 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH2+]CCCO ZINC001198776058 1208289903 /nfs/dbraw/zinc/28/99/03/1208289903.db2.gz MFYXNSDVKDFEGP-QGPMSJSTSA-N 2 1 365.474 0.544 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064368 1208315267 /nfs/dbraw/zinc/31/52/67/1208315267.db2.gz HFXCUTVOUFMBDY-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064368 1208315269 /nfs/dbraw/zinc/31/52/69/1208315269.db2.gz HFXCUTVOUFMBDY-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755449 1225057201 /nfs/dbraw/zinc/05/72/01/1225057201.db2.gz PCEVSGNYJZMSDV-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755449 1225057203 /nfs/dbraw/zinc/05/72/03/1225057203.db2.gz PCEVSGNYJZMSDV-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220755449 1225057204 /nfs/dbraw/zinc/05/72/04/1225057204.db2.gz PCEVSGNYJZMSDV-QRQLOZEOSA-N 2 1 361.486 0.959 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755291 1225057838 /nfs/dbraw/zinc/05/78/38/1225057838.db2.gz KIWRXTLAKCUVLL-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755291 1225057844 /nfs/dbraw/zinc/05/78/44/1225057844.db2.gz KIWRXTLAKCUVLL-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220755291 1225057849 /nfs/dbraw/zinc/05/78/49/1225057849.db2.gz KIWRXTLAKCUVLL-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cn1 ZINC001199370180 1208343502 /nfs/dbraw/zinc/34/35/02/1208343502.db2.gz OAMUGMXEMXJULY-QZTJIDSGSA-N 2 1 363.506 0.390 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1CN(CCOc2ccccc2)C[C@H]1O ZINC001199398302 1208348777 /nfs/dbraw/zinc/34/87/77/1208348777.db2.gz NPKDPZLDMDHWEI-QZTJIDSGSA-N 2 1 358.442 0.904 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1O ZINC001220768406 1225063100 /nfs/dbraw/zinc/06/31/00/1225063100.db2.gz KCIDUGIRYUNYLJ-CVEARBPZSA-N 2 1 371.428 0.864 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1O ZINC001220768406 1225063107 /nfs/dbraw/zinc/06/31/07/1225063107.db2.gz KCIDUGIRYUNYLJ-CVEARBPZSA-N 2 1 371.428 0.864 20 0 FCADMP CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C4CCCC4)C[C@H](C2)O3)CC1 ZINC001273847390 1208425726 /nfs/dbraw/zinc/42/57/26/1208425726.db2.gz FPDPXQIJFJDKMS-KDURUIRLSA-N 2 1 364.534 0.867 20 0 FCADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(C)(C)C ZINC001201230848 1208449295 /nfs/dbraw/zinc/44/92/95/1208449295.db2.gz XIDCGVXEPXIBMS-IJEWVQPXSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C(=O)NC(C)(C)C ZINC001201230848 1208449297 /nfs/dbraw/zinc/44/92/97/1208449297.db2.gz XIDCGVXEPXIBMS-IJEWVQPXSA-N 2 1 368.522 0.589 20 0 FCADMP CCC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201239329 1208449627 /nfs/dbraw/zinc/44/96/27/1208449627.db2.gz JEUUCGXUQNMSNU-ZMSDIMECSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201239329 1208449630 /nfs/dbraw/zinc/44/96/30/1208449630.db2.gz JEUUCGXUQNMSNU-ZMSDIMECSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC(C)(C)C)CC2)O1 ZINC001201240498 1208449660 /nfs/dbraw/zinc/44/96/60/1208449660.db2.gz UFVDDRSNJJSDAJ-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC(C)(C)C)CC2)O1 ZINC001201240498 1208449664 /nfs/dbraw/zinc/44/96/64/1208449664.db2.gz UFVDDRSNJJSDAJ-GDBMZVCRSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001110576496 1208484512 /nfs/dbraw/zinc/48/45/12/1208484512.db2.gz LRSDBMMNZDVZCU-ILOCAZANSA-N 2 1 362.518 0.964 20 0 FCADMP 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FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001489202779 1208665537 /nfs/dbraw/zinc/66/55/37/1208665537.db2.gz NNWJGGDDHOSYQQ-IXDOHACOSA-N 2 1 364.490 0.794 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220822315 1225088859 /nfs/dbraw/zinc/08/88/59/1225088859.db2.gz SSXIGPBLWXLRQV-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220822315 1225088869 /nfs/dbraw/zinc/08/88/69/1225088869.db2.gz SSXIGPBLWXLRQV-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220822315 1225088876 /nfs/dbraw/zinc/08/88/76/1225088876.db2.gz SSXIGPBLWXLRQV-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2OC)C[C@@H]1O ZINC001220822315 1225088883 /nfs/dbraw/zinc/08/88/83/1225088883.db2.gz SSXIGPBLWXLRQV-CVEARBPZSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001220824355 1225091126 /nfs/dbraw/zinc/09/11/26/1225091126.db2.gz WGDSXDWHROFKIW-SJORKVTESA-N 2 1 362.474 0.179 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001220824355 1225091135 /nfs/dbraw/zinc/09/11/35/1225091135.db2.gz WGDSXDWHROFKIW-SJORKVTESA-N 2 1 362.474 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001220824355 1225091143 /nfs/dbraw/zinc/09/11/43/1225091143.db2.gz WGDSXDWHROFKIW-SJORKVTESA-N 2 1 362.474 0.179 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001220824355 1225091148 /nfs/dbraw/zinc/09/11/48/1225091148.db2.gz WGDSXDWHROFKIW-SJORKVTESA-N 2 1 362.474 0.179 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830983 1225095102 /nfs/dbraw/zinc/09/51/02/1225095102.db2.gz LXSDVDRWFMNLON-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830983 1225095110 /nfs/dbraw/zinc/09/51/10/1225095110.db2.gz LXSDVDRWFMNLON-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830983 1225095117 /nfs/dbraw/zinc/09/51/17/1225095117.db2.gz LXSDVDRWFMNLON-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@@H]1O ZINC001220830983 1225095126 /nfs/dbraw/zinc/09/51/26/1225095126.db2.gz LXSDVDRWFMNLON-SQNIBIBYSA-N 2 1 365.474 0.232 20 0 FCADMP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)C(c1ccccc1)c1ccccc1 ZINC001220872555 1225119170 /nfs/dbraw/zinc/11/91/70/1225119170.db2.gz YSAGSGUIPLHAKF-FQEVSTJZSA-N 2 1 366.465 0.694 20 0 FCADMP COc1ccc(CC2(C(=O)NCCN3CC[NH2+]CC3=O)CC[NH2+]CC2)cc1 ZINC001220874881 1225119600 /nfs/dbraw/zinc/11/96/00/1225119600.db2.gz POCWVGRBGWMHAH-UHFFFAOYSA-N 2 1 374.485 0.156 20 0 FCADMP 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CC[NH+]1CC[C@@H]1CNC(=O)c1ccnc(C(=O)NC[C@H]2CC[N@H+]2CC)c1 ZINC000882487268 1210623517 /nfs/dbraw/zinc/62/35/17/1210623517.db2.gz UFOIIZZFMQCELV-HZPDHXFCSA-N 2 1 359.474 0.730 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883128262 1210655076 /nfs/dbraw/zinc/65/50/76/1210655076.db2.gz ZTUBMOXZAXJYOM-HNNXBMFYSA-N 2 1 374.489 0.512 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883587017 1210672499 /nfs/dbraw/zinc/67/24/99/1210672499.db2.gz XVKUDDDKOGRHMO-IBGZPJMESA-N 2 1 372.517 0.998 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883604925 1210673441 /nfs/dbraw/zinc/67/34/41/1210673441.db2.gz HODRXQXWMLWNDW-YOEHRIQHSA-N 2 1 359.474 0.763 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883605074 1210673686 /nfs/dbraw/zinc/67/36/86/1210673686.db2.gz LMSQZNPIYUBCCV-QGZVFWFLSA-N 2 1 359.474 0.635 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883604905 1210673811 /nfs/dbraw/zinc/67/38/11/1210673811.db2.gz HHUCTWLGWKAENX-YJBOKZPZSA-N 2 1 371.485 0.730 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883607425 1210674198 /nfs/dbraw/zinc/67/41/98/1210674198.db2.gz UWYMFYQYTZXOHX-MSOLQXFVSA-N 2 1 371.485 0.763 20 0 FCADMP CN(C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC([NH3+])C1 ZINC000883609020 1210674497 /nfs/dbraw/zinc/67/44/97/1210674497.db2.gz MISZEPPDWBDRQP-ZCDVPAHGSA-N 2 1 371.485 0.858 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883607482 1210674506 /nfs/dbraw/zinc/67/45/06/1210674506.db2.gz WOQGXRVXGGUIHJ-QGZVFWFLSA-N 2 1 359.474 0.587 20 0 FCADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883611552 1210674959 /nfs/dbraw/zinc/67/49/59/1210674959.db2.gz BNYXOAXKITUUKX-DAYGRLMNSA-N 2 1 371.485 0.763 20 0 FCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883609991 1210675181 /nfs/dbraw/zinc/67/51/81/1210675181.db2.gz JYMDNGJOWYMZGN-WBAXXEDZSA-N 2 1 371.485 0.858 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000883645131 1210678788 /nfs/dbraw/zinc/67/87/88/1210678788.db2.gz BATSGBLSOXAVNP-MRXNPFEDSA-N 2 1 359.474 0.639 20 0 FCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883654227 1210680185 /nfs/dbraw/zinc/68/01/85/1210680185.db2.gz WRHDVUCPZRRWBS-UHFFFAOYSA-N 2 1 369.554 0.448 20 0 FCADMP CN(CCCN(C)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)CC[NH+](C)C ZINC000883654227 1210680187 /nfs/dbraw/zinc/68/01/87/1210680187.db2.gz WRHDVUCPZRRWBS-UHFFFAOYSA-N 2 1 369.554 0.448 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+]CCC34CCC4)CC2)c1 ZINC000883657594 1210682257 /nfs/dbraw/zinc/68/22/57/1210682257.db2.gz GYMHRBCXWOICPP-UHFFFAOYSA-N 2 1 371.485 0.783 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3nnc4ccccn43)cn2)CC1 ZINC000133641745 1210714186 /nfs/dbraw/zinc/71/41/86/1210714186.db2.gz PKNXLNOUQBEFCF-UHFFFAOYSA-N 2 1 352.446 0.603 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000884331618 1210730827 /nfs/dbraw/zinc/73/08/27/1210730827.db2.gz SPUINFPRDUUKEV-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000884331618 1210730829 /nfs/dbraw/zinc/73/08/29/1210730829.db2.gz SPUINFPRDUUKEV-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884494198 1210739172 /nfs/dbraw/zinc/73/91/72/1210739172.db2.gz MZMOBISWRRHASN-CABCVRRESA-N 2 1 374.476 0.832 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[N@H+]1C1CC1 ZINC000884554319 1210748944 /nfs/dbraw/zinc/74/89/44/1210748944.db2.gz QTLYPEWZVAHDPA-IJEWVQPXSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884554232 1210749004 /nfs/dbraw/zinc/74/90/04/1210749004.db2.gz PJHVNFAOPMMSGK-UGSOOPFHSA-N 2 1 356.470 0.547 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884571960 1210754096 /nfs/dbraw/zinc/75/40/96/1210754096.db2.gz BTMPNXYBBNJMMV-OWYHZJEWSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884589053 1210758374 /nfs/dbraw/zinc/75/83/74/1210758374.db2.gz RWALBBKNYMAZGU-CYGHRXIMSA-N 2 1 374.485 0.340 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884589053 1210758376 /nfs/dbraw/zinc/75/83/76/1210758376.db2.gz RWALBBKNYMAZGU-CYGHRXIMSA-N 2 1 374.485 0.340 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884603353 1210760624 /nfs/dbraw/zinc/76/06/24/1210760624.db2.gz HWQNGNPKKXNMLD-VQIMIIECSA-N 2 1 366.506 0.206 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884603350 1210760896 /nfs/dbraw/zinc/76/08/96/1210760896.db2.gz HWQNGNPKKXNMLD-APWZRJJASA-N 2 1 366.506 0.206 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681419 1210779185 /nfs/dbraw/zinc/77/91/85/1210779185.db2.gz VEARINICASBDEZ-NZSAHSFTSA-N 2 1 372.513 0.987 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681420 1210779522 /nfs/dbraw/zinc/77/95/22/1210779522.db2.gz VEARINICASBDEZ-QRQLOZEOSA-N 2 1 372.513 0.987 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688526 1210781010 /nfs/dbraw/zinc/78/10/10/1210781010.db2.gz GQPXDFLVQAMYIZ-NJAFHUGGSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000884689070 1210781711 /nfs/dbraw/zinc/78/17/11/1210781711.db2.gz YGIUHNXVTTUQEJ-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000884689070 1210781717 /nfs/dbraw/zinc/78/17/17/1210781717.db2.gz YGIUHNXVTTUQEJ-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884693721 1210782113 /nfs/dbraw/zinc/78/21/13/1210782113.db2.gz LXNGSRIGVXIERU-ZWKOTPCHSA-N 2 1 356.470 0.303 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000884691359 1210782186 /nfs/dbraw/zinc/78/21/86/1210782186.db2.gz FKXDJEWAESOJEY-WMZOPIPTSA-N 2 1 358.486 0.801 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722023 1210788304 /nfs/dbraw/zinc/78/83/04/1210788304.db2.gz DEKRXSVAABHTCF-HIFRSBDPSA-N 2 1 368.428 0.581 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722023 1210788309 /nfs/dbraw/zinc/78/83/09/1210788309.db2.gz DEKRXSVAABHTCF-HIFRSBDPSA-N 2 1 368.428 0.581 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@@H]21 ZINC000884725995 1210790933 /nfs/dbraw/zinc/79/09/33/1210790933.db2.gz DLIOEDFUROUJHE-PZPYZRKGSA-N 2 1 374.529 0.809 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884796565 1210795962 /nfs/dbraw/zinc/79/59/62/1210795962.db2.gz JCPMFKILAKTQSD-RDJZCZTQSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884796565 1210795974 /nfs/dbraw/zinc/79/59/74/1210795974.db2.gz JCPMFKILAKTQSD-RDJZCZTQSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884797292 1210796792 /nfs/dbraw/zinc/79/67/92/1210796792.db2.gz RPDKASXNKUTCCH-DOTOQJQBSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884797292 1210796800 /nfs/dbraw/zinc/79/68/00/1210796800.db2.gz RPDKASXNKUTCCH-DOTOQJQBSA-N 2 1 362.474 0.036 20 0 FCADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884812756 1210798229 /nfs/dbraw/zinc/79/82/29/1210798229.db2.gz ZMFUNPNGIBDBEL-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000884834954 1210800259 /nfs/dbraw/zinc/80/02/59/1210800259.db2.gz HSPQRUADRXYANO-NXHRZFHOSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884835246 1210800451 /nfs/dbraw/zinc/80/04/51/1210800451.db2.gz NMLKMHKNAXDGND-XYJFISCASA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878572 1210802411 /nfs/dbraw/zinc/80/24/11/1210802411.db2.gz ALSQXMXGIVZIBT-OWCLPIDISA-N 2 1 368.522 0.496 20 0 FCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884973990 1210805971 /nfs/dbraw/zinc/80/59/71/1210805971.db2.gz KGPDQUZDIKJYEZ-CVEARBPZSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000884983117 1210806948 /nfs/dbraw/zinc/80/69/48/1210806948.db2.gz FINYORCQRVGKHU-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000884983117 1210806950 /nfs/dbraw/zinc/80/69/50/1210806950.db2.gz FINYORCQRVGKHU-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000884983272 1210807020 /nfs/dbraw/zinc/80/70/20/1210807020.db2.gz QAKJYPQIWKPKRQ-MSOLQXFVSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000885018254 1210808815 /nfs/dbraw/zinc/80/88/15/1210808815.db2.gz LGYZUORMBGRJPA-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000885018254 1210808816 /nfs/dbraw/zinc/80/88/16/1210808816.db2.gz LGYZUORMBGRJPA-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000885136150 1210811447 /nfs/dbraw/zinc/81/14/47/1210811447.db2.gz MWPWYZROOLLBBY-OAHLLOKOSA-N 2 1 366.506 0.204 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137886 1210811847 /nfs/dbraw/zinc/81/18/47/1210811847.db2.gz KPLQCHNUPMGYMJ-LSDHHAIUSA-N 2 1 366.506 0.250 20 0 FCADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000885281552 1210817026 /nfs/dbraw/zinc/81/70/26/1210817026.db2.gz VCJOAPNAABVQDD-CQSZACIVSA-N 2 1 372.460 0.824 20 0 FCADMP C[NH+](CCN1CCNC1=O)[C@H]1CC[C@H]([N@@H+](C)CCN2CCNC2=O)CC1 ZINC000886389565 1210828746 /nfs/dbraw/zinc/82/87/46/1210828746.db2.gz ORYMZQRDDMZWPO-WKILWMFISA-N 2 1 366.510 0.212 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000886580750 1210832682 /nfs/dbraw/zinc/83/26/82/1210832682.db2.gz WRIHMIJTWIYVQW-FGTMMUONSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000886580750 1210832683 /nfs/dbraw/zinc/83/26/83/1210832683.db2.gz WRIHMIJTWIYVQW-FGTMMUONSA-N 2 1 365.518 0.840 20 0 FCADMP OCCOCC1(O)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000886753362 1210836307 /nfs/dbraw/zinc/83/63/07/1210836307.db2.gz ILAQPJCXOYJTLK-FQEVSTJZSA-N 2 1 364.486 0.459 20 0 FCADMP OCCOCC1(O)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000886753362 1210836308 /nfs/dbraw/zinc/83/63/08/1210836308.db2.gz ILAQPJCXOYJTLK-FQEVSTJZSA-N 2 1 364.486 0.459 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872186 1210838707 /nfs/dbraw/zinc/83/87/07/1210838707.db2.gz LSBIXSYDYHNXMM-QUCCMNQESA-N 2 1 366.550 0.925 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887448897 1210858361 /nfs/dbraw/zinc/85/83/61/1210858361.db2.gz JEBLXPLAZYVJLE-IEBWSBKVSA-N 2 1 358.490 0.694 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000887699458 1210896844 /nfs/dbraw/zinc/89/68/44/1210896844.db2.gz AEQLPOBNURGKLH-INIZCTEOSA-N 2 1 374.489 0.466 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnc1C ZINC000890162961 1210970543 /nfs/dbraw/zinc/97/05/43/1210970543.db2.gz ULIHYZFQDHANDF-OAHLLOKOSA-N 2 1 359.474 0.922 20 0 FCADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cnc1C ZINC000890162961 1210970545 /nfs/dbraw/zinc/97/05/45/1210970545.db2.gz ULIHYZFQDHANDF-OAHLLOKOSA-N 2 1 359.474 0.922 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001274400442 1211044737 /nfs/dbraw/zinc/04/47/37/1211044737.db2.gz IDWBCYMOUTUMQR-IRXDYDNUSA-N 2 1 360.502 0.767 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001274418807 1211049530 /nfs/dbraw/zinc/04/95/30/1211049530.db2.gz LKHCKROKRFTALK-QGZVFWFLSA-N 2 1 362.518 0.731 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221190475 1225262076 /nfs/dbraw/zinc/26/20/76/1225262076.db2.gz OYHAVCUPFHHSGR-IRXDYDNUSA-N 3 1 374.485 0.105 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221190475 1225262082 /nfs/dbraw/zinc/26/20/82/1225262082.db2.gz OYHAVCUPFHHSGR-IRXDYDNUSA-N 3 1 374.485 0.105 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001274908428 1211142034 /nfs/dbraw/zinc/14/20/34/1211142034.db2.gz LXXSAEJMNDPLAR-JENIJYKNSA-N 2 1 361.490 0.263 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001274908428 1211142035 /nfs/dbraw/zinc/14/20/35/1211142035.db2.gz LXXSAEJMNDPLAR-JENIJYKNSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001274908428 1211142036 /nfs/dbraw/zinc/14/20/36/1211142036.db2.gz LXXSAEJMNDPLAR-JENIJYKNSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001274908428 1211142037 /nfs/dbraw/zinc/14/20/37/1211142037.db2.gz LXXSAEJMNDPLAR-JENIJYKNSA-N 2 1 361.490 0.263 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@@H]2CCOC2)CC1 ZINC001275141522 1211178651 /nfs/dbraw/zinc/17/86/51/1211178651.db2.gz GMVBWWYWRWILGK-IPMKNSEASA-N 2 1 364.534 0.726 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H]2CCOC2)CC1 ZINC001275141522 1211178654 /nfs/dbraw/zinc/17/86/54/1211178654.db2.gz GMVBWWYWRWILGK-IPMKNSEASA-N 2 1 364.534 0.726 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@@H]2CCOC2)CC1 ZINC001275141522 1211178656 /nfs/dbraw/zinc/17/86/56/1211178656.db2.gz GMVBWWYWRWILGK-IPMKNSEASA-N 2 1 364.534 0.726 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1N ZINC001275356303 1211220057 /nfs/dbraw/zinc/22/00/57/1211220057.db2.gz CEJGZNXJHRYGQX-IBGZPJMESA-N 2 1 362.474 0.642 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(Cc3[nH+]cc4ccccn43)C[C@@]2(F)C1=O ZINC001275442327 1211238449 /nfs/dbraw/zinc/23/84/49/1211238449.db2.gz FHPBQLFBVQSHDK-ZWKOTPCHSA-N 2 1 363.412 0.970 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](Cc3cnccc3N)C2)C1=O ZINC001275455226 1211240907 /nfs/dbraw/zinc/24/09/07/1211240907.db2.gz HAWOSAMKDQXKGZ-CRAIPNDOSA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455226 1211240909 /nfs/dbraw/zinc/24/09/09/1211240909.db2.gz HAWOSAMKDQXKGZ-CRAIPNDOSA-N 2 1 362.430 0.107 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275455226 1211240912 /nfs/dbraw/zinc/24/09/12/1211240912.db2.gz HAWOSAMKDQXKGZ-CRAIPNDOSA-N 2 1 362.430 0.107 20 0 FCADMP COC(C[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O)OC ZINC001275493954 1211250565 /nfs/dbraw/zinc/25/05/65/1211250565.db2.gz QTXRLWUZLUPESZ-LJQANCHMSA-N 2 1 368.522 0.310 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507363 1211251715 /nfs/dbraw/zinc/25/17/15/1211251715.db2.gz ATTANSZIQDPKDW-KXBFYZLASA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507363 1211251719 /nfs/dbraw/zinc/25/17/19/1211251719.db2.gz ATTANSZIQDPKDW-KXBFYZLASA-N 2 1 369.506 0.829 20 0 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NSOCOULTTUOJQI-IPMKNSEASA-N 2 1 364.534 0.726 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)C1 ZINC001275879118 1211306122 /nfs/dbraw/zinc/30/61/22/1211306122.db2.gz NSOCOULTTUOJQI-IPMKNSEASA-N 2 1 364.534 0.726 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879227 1211306425 /nfs/dbraw/zinc/30/64/25/1211306425.db2.gz OWANIFIWHXOUQW-VQIMIIECSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879227 1211306429 /nfs/dbraw/zinc/30/64/29/1211306429.db2.gz OWANIFIWHXOUQW-VQIMIIECSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879227 1211306432 /nfs/dbraw/zinc/30/64/32/1211306432.db2.gz OWANIFIWHXOUQW-VQIMIIECSA-N 2 1 361.490 0.565 20 0 FCADMP COc1cccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275959084 1211318212 /nfs/dbraw/zinc/31/82/12/1211318212.db2.gz PVTAKHAYKNWVTK-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001095440851 1211344313 /nfs/dbraw/zinc/34/43/13/1211344313.db2.gz AJJBGBGXEQSZBX-HMDCTGQHSA-N 2 1 363.506 0.463 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001095440851 1211344317 /nfs/dbraw/zinc/34/43/17/1211344317.db2.gz AJJBGBGXEQSZBX-HMDCTGQHSA-N 2 1 363.506 0.463 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001095440851 1211344319 /nfs/dbraw/zinc/34/43/19/1211344319.db2.gz AJJBGBGXEQSZBX-HMDCTGQHSA-N 2 1 363.506 0.463 20 0 FCADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c(N)n1 ZINC001276258492 1211395651 /nfs/dbraw/zinc/39/56/51/1211395651.db2.gz BUGZWJOJNQCBBJ-LJQANCHMSA-N 2 1 359.474 0.875 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CN3C(=O)N[C@H](C[NH+](C)C)C3=O)cc2)CC1 ZINC000924466192 1211470726 /nfs/dbraw/zinc/47/07/26/1211470726.db2.gz HEUFLLAWEKRUKI-GOSISDBHSA-N 2 1 373.501 0.806 20 0 FCADMP O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924570427 1211474136 /nfs/dbraw/zinc/47/41/36/1211474136.db2.gz PEZZLCOLHQUXCB-IBGZPJMESA-N 2 1 372.513 0.689 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924570430 1211474317 /nfs/dbraw/zinc/47/43/17/1211474317.db2.gz PEZZLCOLHQUXCB-LJQANCHMSA-N 2 1 372.513 0.689 20 0 FCADMP Cn1[nH]cc2c(=NC(=O)N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)ccnc1-2 ZINC000926102894 1211515941 /nfs/dbraw/zinc/51/59/41/1211515941.db2.gz FARYXXNGYSNOTD-GASCZTMLSA-N 2 1 369.473 0.774 20 0 FCADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171550 1211520089 /nfs/dbraw/zinc/52/00/89/1211520089.db2.gz YGKVXLPBKCBWEO-LFGUQSLTSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171550 1211520092 /nfs/dbraw/zinc/52/00/92/1211520092.db2.gz YGKVXLPBKCBWEO-LFGUQSLTSA-N 2 1 366.550 0.610 20 0 FCADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926171550 1211520095 /nfs/dbraw/zinc/52/00/95/1211520095.db2.gz YGKVXLPBKCBWEO-LFGUQSLTSA-N 2 1 366.550 0.610 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000927481896 1211571757 /nfs/dbraw/zinc/57/17/57/1211571757.db2.gz ORLJHHOMCKXCHS-INIZCTEOSA-N 2 1 374.489 0.750 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000927481896 1211571761 /nfs/dbraw/zinc/57/17/61/1211571761.db2.gz ORLJHHOMCKXCHS-INIZCTEOSA-N 2 1 374.489 0.750 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636414 1211577149 /nfs/dbraw/zinc/57/71/49/1211577149.db2.gz FNDJTFLQBZBBRR-RDJZCZTQSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636414 1211577154 /nfs/dbraw/zinc/57/71/54/1211577154.db2.gz FNDJTFLQBZBBRR-RDJZCZTQSA-N 2 1 368.522 0.726 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@H]2CC[NH+]2C)c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928556205 1211604380 /nfs/dbraw/zinc/60/43/80/1211604380.db2.gz NQSYADBTCYWZGE-CABCVRRESA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@H]2CC[N@@H+]2C)c1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928556205 1211604383 /nfs/dbraw/zinc/60/43/83/1211604383.db2.gz NQSYADBTCYWZGE-CABCVRRESA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@H]2CC[N@H+]2C)c1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928556205 1211604385 /nfs/dbraw/zinc/60/43/85/1211604385.db2.gz NQSYADBTCYWZGE-CABCVRRESA-N 2 1 361.490 0.130 20 0 FCADMP CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369820 1225303229 /nfs/dbraw/zinc/30/32/29/1225303229.db2.gz NNKNTRPWTXFBGQ-HZPDHXFCSA-N 2 1 356.470 0.349 20 0 FCADMP CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369820 1225303232 /nfs/dbraw/zinc/30/32/32/1225303232.db2.gz NNKNTRPWTXFBGQ-HZPDHXFCSA-N 2 1 356.470 0.349 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000929797412 1211661330 /nfs/dbraw/zinc/66/13/30/1211661330.db2.gz DOLWSCOMYADIPC-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000929797412 1211661331 /nfs/dbraw/zinc/66/13/31/1211661331.db2.gz DOLWSCOMYADIPC-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000929797412 1211661334 /nfs/dbraw/zinc/66/13/34/1211661334.db2.gz DOLWSCOMYADIPC-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000929797412 1211661336 /nfs/dbraw/zinc/66/13/36/1211661336.db2.gz DOLWSCOMYADIPC-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000929978982 1211678118 /nfs/dbraw/zinc/67/81/18/1211678118.db2.gz VDVOKWJLKGQWGF-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000929978982 1211678120 /nfs/dbraw/zinc/67/81/20/1211678120.db2.gz VDVOKWJLKGQWGF-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978982 1211678124 /nfs/dbraw/zinc/67/81/24/1211678124.db2.gz VDVOKWJLKGQWGF-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000929978982 1211678134 /nfs/dbraw/zinc/67/81/34/1211678134.db2.gz VDVOKWJLKGQWGF-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000931348427 1211751521 /nfs/dbraw/zinc/75/15/21/1211751521.db2.gz YBDJNUCNEXJVSI-UHFFFAOYSA-N 2 1 359.518 0.842 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931438038 1211756437 /nfs/dbraw/zinc/75/64/37/1211756437.db2.gz YDVSFQWVZNXDBG-CABCVRRESA-N 2 1 361.442 0.794 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931438038 1211756439 /nfs/dbraw/zinc/75/64/39/1211756439.db2.gz YDVSFQWVZNXDBG-CABCVRRESA-N 2 1 361.442 0.794 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931438038 1211756442 /nfs/dbraw/zinc/75/64/42/1211756442.db2.gz YDVSFQWVZNXDBG-CABCVRRESA-N 2 1 361.442 0.794 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000931438038 1211756445 /nfs/dbraw/zinc/75/64/45/1211756445.db2.gz YDVSFQWVZNXDBG-CABCVRRESA-N 2 1 361.442 0.794 20 0 FCADMP C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931657352 1211769428 /nfs/dbraw/zinc/76/94/28/1211769428.db2.gz FMZUCLNCTTYRND-BHYGNILZSA-N 2 1 358.486 0.880 20 0 FCADMP C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931657352 1211769430 /nfs/dbraw/zinc/76/94/30/1211769430.db2.gz FMZUCLNCTTYRND-BHYGNILZSA-N 2 1 358.486 0.880 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000931875129 1211776452 /nfs/dbraw/zinc/77/64/52/1211776452.db2.gz BPTKPWHBACVBCQ-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000931875129 1211776454 /nfs/dbraw/zinc/77/64/54/1211776454.db2.gz BPTKPWHBACVBCQ-SFHVURJKSA-N 2 1 358.486 0.930 20 0 FCADMP O=C(CC[N@H+]1CC[C@H](C2OCCO2)C1)N1CCN(c2ccccn2)CC1 ZINC000932007048 1211792371 /nfs/dbraw/zinc/79/23/71/1211792371.db2.gz CCFXBCUUSVYPAZ-INIZCTEOSA-N 2 1 360.458 0.815 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O)CC(C)(C)C ZINC001111028559 1211804663 /nfs/dbraw/zinc/80/46/63/1211804663.db2.gz FYDKKKMBWAEXML-OAGGEKHMSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O)CC(C)(C)C ZINC001111028559 1211804665 /nfs/dbraw/zinc/80/46/65/1211804665.db2.gz FYDKKKMBWAEXML-OAGGEKHMSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)CC(C)(C)C ZINC001111028559 1211804668 /nfs/dbraw/zinc/80/46/68/1211804668.db2.gz FYDKKKMBWAEXML-OAGGEKHMSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)CC(C)(C)C ZINC001111028559 1211804670 /nfs/dbraw/zinc/80/46/70/1211804670.db2.gz FYDKKKMBWAEXML-OAGGEKHMSA-N 2 1 365.522 0.711 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111040320 1211820297 /nfs/dbraw/zinc/82/02/97/1211820297.db2.gz FXMBADRCLJTNPB-HHARLNAUSA-N 2 1 371.485 0.771 20 0 FCADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111040320 1211820298 /nfs/dbraw/zinc/82/02/98/1211820298.db2.gz FXMBADRCLJTNPB-HHARLNAUSA-N 2 1 371.485 0.771 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001111188623 1211919077 /nfs/dbraw/zinc/91/90/77/1211919077.db2.gz ARRZTNXUZVJFHK-KURKYZTESA-N 2 1 371.441 0.611 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cnn(-c2cc[nH+]cc2)c1 ZINC001111188623 1211919081 /nfs/dbraw/zinc/91/90/81/1211919081.db2.gz ARRZTNXUZVJFHK-KURKYZTESA-N 2 1 371.441 0.611 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198220 1211923781 /nfs/dbraw/zinc/92/37/81/1211923781.db2.gz OZZGFDCJLQXQQI-OIISXLGYSA-N 2 1 366.506 0.297 20 0 FCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198220 1211923783 /nfs/dbraw/zinc/92/37/83/1211923783.db2.gz OZZGFDCJLQXQQI-OIISXLGYSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)O1 ZINC000947339975 1212017814 /nfs/dbraw/zinc/01/78/14/1212017814.db2.gz PJPFOIHARLIGEI-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)O1 ZINC000947339975 1212017819 /nfs/dbraw/zinc/01/78/19/1212017819.db2.gz PJPFOIHARLIGEI-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)O1 ZINC000947339975 1212017823 /nfs/dbraw/zinc/01/78/23/1212017823.db2.gz PJPFOIHARLIGEI-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)O1 ZINC000947339975 1212017827 /nfs/dbraw/zinc/01/78/27/1212017827.db2.gz PJPFOIHARLIGEI-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC000968604065 1212042508 /nfs/dbraw/zinc/04/25/08/1212042508.db2.gz AIJOSSFQEVDFSY-ZACQAIPSSA-N 2 1 371.441 0.349 20 0 FCADMP CN1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC000968604065 1212042511 /nfs/dbraw/zinc/04/25/11/1212042511.db2.gz AIJOSSFQEVDFSY-ZACQAIPSSA-N 2 1 371.441 0.349 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC000968617364 1212048927 /nfs/dbraw/zinc/04/89/27/1212048927.db2.gz VRQNJOWGTKWYDF-ZACQAIPSSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@@H+]1C ZINC000968728803 1212102503 /nfs/dbraw/zinc/10/25/03/1212102503.db2.gz YJFBIFXMUYNSIW-MGPQQGTHSA-N 2 1 371.445 0.557 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@H+]1C ZINC000968728803 1212102508 /nfs/dbraw/zinc/10/25/08/1212102508.db2.gz YJFBIFXMUYNSIW-MGPQQGTHSA-N 2 1 371.445 0.557 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001111279876 1212225033 /nfs/dbraw/zinc/22/50/33/1212225033.db2.gz KGUBBVZSMTUVGN-FPCVCCKLSA-N 2 1 362.478 0.065 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281239 1212232864 /nfs/dbraw/zinc/23/28/64/1212232864.db2.gz JTVGBYXMHVMEIM-TVFCKZIOSA-N 2 1 371.522 0.320 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[NH+]2CCCC2)O1 ZINC000969062813 1212253545 /nfs/dbraw/zinc/25/35/45/1212253545.db2.gz YNXOTWZTQSJDOL-WCXIOVBPSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C[NH+]2CCCC2)O1 ZINC000969062813 1212253550 /nfs/dbraw/zinc/25/35/50/1212253550.db2.gz YNXOTWZTQSJDOL-WCXIOVBPSA-N 2 1 364.490 0.003 20 0 FCADMP COc1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC000969071778 1212254984 /nfs/dbraw/zinc/25/49/84/1212254984.db2.gz FVRQNNIMCZBRTL-DAXOMENPSA-N 2 1 363.462 0.203 20 0 FCADMP COc1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC000969071778 1212254988 /nfs/dbraw/zinc/25/49/88/1212254988.db2.gz FVRQNNIMCZBRTL-DAXOMENPSA-N 2 1 363.462 0.203 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000950243481 1212539345 /nfs/dbraw/zinc/53/93/45/1212539345.db2.gz DZWOBMHBPNXFFG-BZUAXINKSA-N 2 1 361.490 0.984 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)C[NH+]2CCCC2)C3)C1 ZINC001007848733 1212590441 /nfs/dbraw/zinc/59/04/41/1212590441.db2.gz RJXFWSXRBGWPPK-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3cc(F)ncn3)CC2)CC[N@H+]1C ZINC001111323603 1212642970 /nfs/dbraw/zinc/64/29/70/1212642970.db2.gz LOAMMRFCDPISIL-UKRRQHHQSA-N 2 1 364.469 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC000950800776 1212678646 /nfs/dbraw/zinc/67/86/46/1212678646.db2.gz YTUZJSZAGQNTDB-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1 ZINC000950800776 1212678650 /nfs/dbraw/zinc/67/86/50/1212678650.db2.gz YTUZJSZAGQNTDB-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616176 1225399311 /nfs/dbraw/zinc/39/93/11/1225399311.db2.gz HGIPDUSFTGBZOD-BRWVUGGUSA-N 2 1 362.474 0.956 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001221616176 1225399316 /nfs/dbraw/zinc/39/93/16/1225399316.db2.gz HGIPDUSFTGBZOD-BRWVUGGUSA-N 2 1 362.474 0.956 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CC[N@H+]1C ZINC001009197929 1212818413 /nfs/dbraw/zinc/81/84/13/1212818413.db2.gz IZLDAXRSBABVON-FGTAOJJYSA-N 2 1 362.518 0.489 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631571 1225406761 /nfs/dbraw/zinc/40/67/61/1225406761.db2.gz XVLFIKYAZFVRMP-KURKYZTESA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C[NH+]4CCCC4)C3)C2)CC[N@H+]1C ZINC000953172005 1213000205 /nfs/dbraw/zinc/00/02/05/1213000205.db2.gz HJIOQMGTPBHWPB-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000954356726 1213058444 /nfs/dbraw/zinc/05/84/44/1213058444.db2.gz JGAXHOFURKZQLH-OKZBNKHCSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000954409142 1213069910 /nfs/dbraw/zinc/06/99/10/1213069910.db2.gz LNYRDQCGTWKTJP-OLMNPRSZSA-N 2 1 362.518 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000954422225 1213074394 /nfs/dbraw/zinc/07/43/94/1213074394.db2.gz IYEDIGMHYHHHGM-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000954422225 1213074397 /nfs/dbraw/zinc/07/43/97/1213074397.db2.gz IYEDIGMHYHHHGM-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954422225 1213074401 /nfs/dbraw/zinc/07/44/01/1213074401.db2.gz IYEDIGMHYHHHGM-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954422225 1213074404 /nfs/dbraw/zinc/07/44/04/1213074404.db2.gz IYEDIGMHYHHHGM-BBWFWOEESA-N 2 1 366.506 0.107 20 0 FCADMP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000954640780 1213092476 /nfs/dbraw/zinc/09/24/76/1213092476.db2.gz LEPGMUPOMCYSHL-HUUCEWRRSA-N 2 1 359.474 0.914 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000956320631 1213186117 /nfs/dbraw/zinc/18/61/17/1213186117.db2.gz LDNFJSAPHCFDHY-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[NH+]3C)CC2)O1 ZINC000956320631 1213186118 /nfs/dbraw/zinc/18/61/18/1213186118.db2.gz LDNFJSAPHCFDHY-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000956320631 1213186120 /nfs/dbraw/zinc/18/61/20/1213186120.db2.gz LDNFJSAPHCFDHY-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000956320631 1213186122 /nfs/dbraw/zinc/18/61/22/1213186122.db2.gz LDNFJSAPHCFDHY-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC000957071304 1213244119 /nfs/dbraw/zinc/24/41/19/1213244119.db2.gz LEOGUYXRDIESNN-OIISXLGYSA-N 2 1 361.490 0.800 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC000957071303 1213244262 /nfs/dbraw/zinc/24/42/62/1213244262.db2.gz LEOGUYXRDIESNN-DJIMGWMZSA-N 2 1 361.490 0.800 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957159659 1213267211 /nfs/dbraw/zinc/26/72/11/1213267211.db2.gz ABHYVDWUWGWPHL-OGWOLHLISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000957159659 1213267218 /nfs/dbraw/zinc/26/72/18/1213267218.db2.gz ABHYVDWUWGWPHL-OGWOLHLISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000958218513 1213391395 /nfs/dbraw/zinc/39/13/95/1213391395.db2.gz LGLSIHFCWRTONH-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CC3COC(C)(C)OC3)C2)C1=O ZINC001276345822 1213424827 /nfs/dbraw/zinc/42/48/27/1213424827.db2.gz ICSGKOBHCHTPSI-IBGZPJMESA-N 2 1 367.490 0.788 20 0 FCADMP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701591 1225448555 /nfs/dbraw/zinc/44/85/55/1225448555.db2.gz WBJFVHQKBKNXIY-SYJBPTKTSA-N 2 1 363.502 0.809 20 0 FCADMP COCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701591 1225448560 /nfs/dbraw/zinc/44/85/60/1225448560.db2.gz WBJFVHQKBKNXIY-SYJBPTKTSA-N 2 1 363.502 0.809 20 0 FCADMP COCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701591 1225448565 /nfs/dbraw/zinc/44/85/65/1225448565.db2.gz WBJFVHQKBKNXIY-SYJBPTKTSA-N 2 1 363.502 0.809 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1)C1CCC1 ZINC000960138966 1213633375 /nfs/dbraw/zinc/63/33/75/1213633375.db2.gz MHXMWQJGLPINOK-YESZJQIVSA-N 2 1 364.490 0.003 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771538 1225476316 /nfs/dbraw/zinc/47/63/16/1225476316.db2.gz ACRKTQSZCOWDSQ-KZNAEPCWSA-N 2 1 367.534 0.894 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773030 1225477223 /nfs/dbraw/zinc/47/72/23/1225477223.db2.gz VQPREMSVAHMSHU-HZPDHXFCSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773030 1225477226 /nfs/dbraw/zinc/47/72/26/1225477226.db2.gz VQPREMSVAHMSHU-HZPDHXFCSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C[NH+]2CCCC2)C3)CC[N@H+]1C ZINC001010680467 1213808140 /nfs/dbraw/zinc/80/81/40/1213808140.db2.gz IAPUYNLTKFATDS-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011256178 1213858857 /nfs/dbraw/zinc/85/88/57/1213858857.db2.gz FBGWQYYIRNXJJI-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001011256178 1213858862 /nfs/dbraw/zinc/85/88/62/1213858862.db2.gz FBGWQYYIRNXJJI-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011256178 1213858868 /nfs/dbraw/zinc/85/88/68/1213858868.db2.gz FBGWQYYIRNXJJI-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011256178 1213858872 /nfs/dbraw/zinc/85/88/72/1213858872.db2.gz FBGWQYYIRNXJJI-BRWVUGGUSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)O1 ZINC001011322416 1213872173 /nfs/dbraw/zinc/87/21/73/1213872173.db2.gz YGICXLHWGFKJKV-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)O1 ZINC001011322416 1213872182 /nfs/dbraw/zinc/87/21/82/1213872182.db2.gz YGICXLHWGFKJKV-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)O1 ZINC001011322416 1213872184 /nfs/dbraw/zinc/87/21/84/1213872184.db2.gz YGICXLHWGFKJKV-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)O1 ZINC001011322416 1213872188 /nfs/dbraw/zinc/87/21/88/1213872188.db2.gz YGICXLHWGFKJKV-VVLHAWIVSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1nccnc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960717137 1213905470 /nfs/dbraw/zinc/90/54/70/1213905470.db2.gz KWOBUEZJYKQUET-UWWQBHOKSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1nccnc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000960717137 1213905475 /nfs/dbraw/zinc/90/54/75/1213905475.db2.gz KWOBUEZJYKQUET-UWWQBHOKSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3cc(CO)ccc3F)C2)O1 ZINC001014919003 1213976818 /nfs/dbraw/zinc/97/68/18/1213976818.db2.gz DICCDRUSEGNHJE-RPVQJOFSSA-N 2 1 365.449 0.728 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3cc(CO)ccc3F)C2)O1 ZINC001014919003 1213976824 /nfs/dbraw/zinc/97/68/24/1213976824.db2.gz DICCDRUSEGNHJE-RPVQJOFSSA-N 2 1 365.449 0.728 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733089 1213994210 /nfs/dbraw/zinc/99/42/10/1213994210.db2.gz LRCBVCKAOKCPRF-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733089 1213994216 /nfs/dbraw/zinc/99/42/16/1213994216.db2.gz LRCBVCKAOKCPRF-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733089 1213994223 /nfs/dbraw/zinc/99/42/23/1213994223.db2.gz LRCBVCKAOKCPRF-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733089 1213994226 /nfs/dbraw/zinc/99/42/26/1213994226.db2.gz LRCBVCKAOKCPRF-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733927 1213994816 /nfs/dbraw/zinc/99/48/16/1213994816.db2.gz YRBNJDZEUPEMOH-OTWHNJEPSA-N 2 1 370.497 0.755 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733927 1213994822 /nfs/dbraw/zinc/99/48/22/1213994822.db2.gz YRBNJDZEUPEMOH-OTWHNJEPSA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733927 1213994824 /nfs/dbraw/zinc/99/48/24/1213994824.db2.gz YRBNJDZEUPEMOH-OTWHNJEPSA-N 2 1 370.497 0.755 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001015733927 1213994829 /nfs/dbraw/zinc/99/48/29/1213994829.db2.gz YRBNJDZEUPEMOH-OTWHNJEPSA-N 2 1 370.497 0.755 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCN2CCCC2=O)CC3)CC[N@H+]1C ZINC001016634032 1214024760 /nfs/dbraw/zinc/02/47/60/1214024760.db2.gz ZIOQAHQOJXVOKS-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP Cn1cncc1CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001276825478 1225496283 /nfs/dbraw/zinc/49/62/83/1225496283.db2.gz UIFOVXZZROBOPL-VQIMIIECSA-N 2 1 364.490 0.878 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960956617 1214036695 /nfs/dbraw/zinc/03/66/95/1214036695.db2.gz UTASJIQPJVYDRC-IXDOHACOSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001017488016 1214102470 /nfs/dbraw/zinc/10/24/70/1214102470.db2.gz YHZPIRWODGRMEG-BPQIPLTHSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001017488016 1214102474 /nfs/dbraw/zinc/10/24/74/1214102474.db2.gz YHZPIRWODGRMEG-BPQIPLTHSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001017488016 1214102481 /nfs/dbraw/zinc/10/24/81/1214102481.db2.gz YHZPIRWODGRMEG-BPQIPLTHSA-N 2 1 362.518 0.943 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CC(N)=O)C3)CC2)O1 ZINC000961377972 1214173098 /nfs/dbraw/zinc/17/30/98/1214173098.db2.gz IZOFXANKJBAAOH-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CC(N)=O)C3)CC2)O1 ZINC000961377972 1214173100 /nfs/dbraw/zinc/17/31/00/1214173100.db2.gz IZOFXANKJBAAOH-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@H+](CC(N)=O)C3)CC2)O1 ZINC000961377972 1214173108 /nfs/dbraw/zinc/17/31/08/1214173108.db2.gz IZOFXANKJBAAOH-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)O1 ZINC000961377972 1214173113 /nfs/dbraw/zinc/17/31/13/1214173113.db2.gz IZOFXANKJBAAOH-HYVNUMGLSA-N 2 1 366.506 0.141 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC001019032392 1214182843 /nfs/dbraw/zinc/18/28/43/1214182843.db2.gz UUWVVZMPXSRFFU-KWCYVHTRSA-N 2 1 371.432 0.767 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nc3C(F)F)C2)O1 ZINC001019032392 1214182849 /nfs/dbraw/zinc/18/28/49/1214182849.db2.gz UUWVVZMPXSRFFU-KWCYVHTRSA-N 2 1 371.432 0.767 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2CC[NH+](C)CC2)C3)CC[N@H+]1C ZINC001019070534 1214190012 /nfs/dbraw/zinc/19/00/12/1214190012.db2.gz SASNFDMGUOUSNJ-NVXWUHKLSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C3)CC[N@H+]1C ZINC001019070226 1214190156 /nfs/dbraw/zinc/19/01/56/1214190156.db2.gz FIHNQMNBTWIBLO-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)CC[NH+]1C ZINC001019070226 1214190159 /nfs/dbraw/zinc/19/01/59/1214190159.db2.gz FIHNQMNBTWIBLO-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)CC[NH+]1C ZINC001019070226 1214190167 /nfs/dbraw/zinc/19/01/67/1214190167.db2.gz FIHNQMNBTWIBLO-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCCC[NH+]4C)C3)C2)CC[N@H+]1C ZINC001019169108 1214211071 /nfs/dbraw/zinc/21/10/71/1214211071.db2.gz IUNAVRVANKVBSA-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCCC[N@@H+]4C)C3)C2)CC[NH+]1C ZINC001019169108 1214211076 /nfs/dbraw/zinc/21/10/76/1214211076.db2.gz IUNAVRVANKVBSA-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CCCC[N@H+]4C)C3)C2)CC[NH+]1C ZINC001019169108 1214211082 /nfs/dbraw/zinc/21/10/82/1214211082.db2.gz IUNAVRVANKVBSA-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416410 1214239787 /nfs/dbraw/zinc/23/97/87/1214239787.db2.gz JXDFHVMBEXTEEF-KSZLIROESA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416410 1214239793 /nfs/dbraw/zinc/23/97/93/1214239793.db2.gz JXDFHVMBEXTEEF-KSZLIROESA-N 2 1 368.485 0.851 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001020175527 1214316798 /nfs/dbraw/zinc/31/67/98/1214316798.db2.gz UJUCWCNDYFHSPR-QUSNUVHPSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC001020286643 1214327887 /nfs/dbraw/zinc/32/78/87/1214327887.db2.gz HLKXIRZXTVNHHM-HALQFCHDSA-N 2 1 365.449 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(CO)ccc3F)C2)O1 ZINC001020286643 1214327898 /nfs/dbraw/zinc/32/78/98/1214327898.db2.gz HLKXIRZXTVNHHM-HALQFCHDSA-N 2 1 365.449 0.774 20 0 FCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001020371753 1214346035 /nfs/dbraw/zinc/34/60/35/1214346035.db2.gz FGKAIYVACOXAFY-XZDPQHSOSA-N 2 1 359.474 0.961 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039606634 1214406414 /nfs/dbraw/zinc/40/64/14/1214406414.db2.gz HGJYPNRCBWRBSX-OAGGEKHMSA-N 2 1 370.461 0.501 20 0 FCADMP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)nc(C)[nH+]1 ZINC001039606634 1214406418 /nfs/dbraw/zinc/40/64/18/1214406418.db2.gz HGJYPNRCBWRBSX-OAGGEKHMSA-N 2 1 370.461 0.501 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001039865318 1214450285 /nfs/dbraw/zinc/45/02/85/1214450285.db2.gz OEWFXTFOBWKQKI-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221946984 1225546496 /nfs/dbraw/zinc/54/64/96/1225546496.db2.gz LRBSXRZGHOBYCR-IAGOWNOFSA-N 2 1 362.474 0.701 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221946984 1225546498 /nfs/dbraw/zinc/54/64/98/1225546498.db2.gz LRBSXRZGHOBYCR-IAGOWNOFSA-N 2 1 362.474 0.701 20 0 FCADMP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001221950682 1225550332 /nfs/dbraw/zinc/55/03/32/1225550332.db2.gz STDVPGVWHWMGTH-GUDVDZBRSA-N 2 1 361.486 0.831 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949584 1225547447 /nfs/dbraw/zinc/54/74/47/1225547447.db2.gz CJPBJVDSJIEZGB-BRWVUGGUSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949584 1225547452 /nfs/dbraw/zinc/54/74/52/1225547452.db2.gz CJPBJVDSJIEZGB-BRWVUGGUSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221958257 1225552973 /nfs/dbraw/zinc/55/29/73/1225552973.db2.gz MTJGFLUHLOKYOY-FGTMMUONSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cn(C)nn3)CC2)O1 ZINC000963550358 1214820606 /nfs/dbraw/zinc/82/06/06/1214820606.db2.gz BYYCEVYCIHIAKC-RKHAHWSXSA-N 2 1 364.494 0.393 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cn(C)nn3)CC2)O1 ZINC000963550358 1214820608 /nfs/dbraw/zinc/82/06/08/1214820608.db2.gz BYYCEVYCIHIAKC-RKHAHWSXSA-N 2 1 364.494 0.393 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC000963823272 1214858945 /nfs/dbraw/zinc/85/89/45/1214858945.db2.gz AOYUGWMDGSTKJE-IHRTYXHKSA-N 2 1 362.518 0.966 20 0 FCADMP CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2)[NH+](C)C ZINC000965391602 1215054607 /nfs/dbraw/zinc/05/46/07/1215054607.db2.gz BYVQMJCFYOSRMX-OAGGEKHMSA-N 2 1 366.506 0.107 20 0 FCADMP CC(C)(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016452 1225577587 /nfs/dbraw/zinc/57/75/87/1225577587.db2.gz KEGBGDWNLSWWOP-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP CC(C)(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016452 1225577588 /nfs/dbraw/zinc/57/75/88/1225577588.db2.gz KEGBGDWNLSWWOP-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000966066392 1215161752 /nfs/dbraw/zinc/16/17/52/1215161752.db2.gz UKZCPPXEKQUIRH-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000966066392 1215161755 /nfs/dbraw/zinc/16/17/55/1215161755.db2.gz UKZCPPXEKQUIRH-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000966066392 1215161756 /nfs/dbraw/zinc/16/17/56/1215161756.db2.gz UKZCPPXEKQUIRH-IKGGRYGDSA-N 2 1 366.506 0.033 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000968012826 1215273742 /nfs/dbraw/zinc/27/37/42/1215273742.db2.gz FMHHLRDBWQLLDV-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000968012826 1215273745 /nfs/dbraw/zinc/27/37/45/1215273745.db2.gz FMHHLRDBWQLLDV-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000968013906 1215274124 /nfs/dbraw/zinc/27/41/24/1215274124.db2.gz QCYSCEIVLJFDKX-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000968013906 1215274127 /nfs/dbraw/zinc/27/41/27/1215274127.db2.gz QCYSCEIVLJFDKX-DLBZAZTESA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000968113803 1215287897 /nfs/dbraw/zinc/28/78/97/1215287897.db2.gz HSEUNLCOFGAREX-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[NH+]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000968113803 1215287902 /nfs/dbraw/zinc/28/79/02/1215287902.db2.gz HSEUNLCOFGAREX-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000968113803 1215287906 /nfs/dbraw/zinc/28/79/06/1215287906.db2.gz HSEUNLCOFGAREX-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000968113803 1215287908 /nfs/dbraw/zinc/28/79/08/1215287908.db2.gz HSEUNLCOFGAREX-DJIMGWMZSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442116 1225624475 /nfs/dbraw/zinc/62/44/75/1225624475.db2.gz DBAIPFZFZHUYSB-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442116 1225624479 /nfs/dbraw/zinc/62/44/79/1225624479.db2.gz DBAIPFZFZHUYSB-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442116 1225624484 /nfs/dbraw/zinc/62/44/84/1225624484.db2.gz DBAIPFZFZHUYSB-ZACQAIPSSA-N 2 1 365.522 0.711 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055642107 1215894404 /nfs/dbraw/zinc/89/44/04/1215894404.db2.gz AWPYSCNNXZWNSB-QAPCUYQASA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001000468577 1216065050 /nfs/dbraw/zinc/06/50/50/1216065050.db2.gz MMPKKHMIQRHICT-NCOADZHNSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001000838133 1216119532 /nfs/dbraw/zinc/11/95/32/1216119532.db2.gz TWCIFQIZJGUDAQ-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001000838133 1216119534 /nfs/dbraw/zinc/11/95/34/1216119534.db2.gz TWCIFQIZJGUDAQ-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CCc3ccnn3C)CC2)O1 ZINC001000838133 1216119536 /nfs/dbraw/zinc/11/95/36/1216119536.db2.gz TWCIFQIZJGUDAQ-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CCc3ccnn3C)CC2)O1 ZINC001000838133 1216119537 /nfs/dbraw/zinc/11/95/37/1216119537.db2.gz TWCIFQIZJGUDAQ-CRAIPNDOSA-N 2 1 361.490 0.430 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001222869759 1225661134 /nfs/dbraw/zinc/66/11/34/1225661134.db2.gz XHNKDQSAYDKCLG-QRVBRYPASA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001222869759 1225661138 /nfs/dbraw/zinc/66/11/38/1225661138.db2.gz XHNKDQSAYDKCLG-QRVBRYPASA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001222869759 1225661141 /nfs/dbraw/zinc/66/11/41/1225661141.db2.gz XHNKDQSAYDKCLG-QRVBRYPASA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001222869760 1225661559 /nfs/dbraw/zinc/66/15/59/1225661559.db2.gz XHNKDQSAYDKCLG-QYZOEREBSA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001222869760 1225661561 /nfs/dbraw/zinc/66/15/61/1225661561.db2.gz XHNKDQSAYDKCLG-QYZOEREBSA-N 2 1 367.534 0.896 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001222869760 1225661564 /nfs/dbraw/zinc/66/15/64/1225661564.db2.gz XHNKDQSAYDKCLG-QYZOEREBSA-N 2 1 367.534 0.896 20 0 FCADMP CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)CC2)C1=O ZINC001050524420 1216331150 /nfs/dbraw/zinc/33/11/50/1216331150.db2.gz CAPXOQVXXSJIPW-BRWVUGGUSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524589 1216331434 /nfs/dbraw/zinc/33/14/34/1216331434.db2.gz HAEDTXMPWSWQGX-HLLBOEOZSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)CC1 ZINC001050922734 1216375744 /nfs/dbraw/zinc/37/57/44/1216375744.db2.gz XTQZNRCHOLOXJV-QRVBRYPASA-N 2 1 365.518 0.960 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)CC1 ZINC001050922734 1216375749 /nfs/dbraw/zinc/37/57/49/1216375749.db2.gz XTQZNRCHOLOXJV-QRVBRYPASA-N 2 1 365.518 0.960 20 0 FCADMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)nn1 ZINC001051623011 1216467615 /nfs/dbraw/zinc/46/76/15/1216467615.db2.gz BJTRITUVPNRTEF-FVQBIDKESA-N 2 1 363.462 0.142 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnc(C)cn3)C2)CC[N@H+]1C ZINC001051623640 1216468316 /nfs/dbraw/zinc/46/83/16/1216468316.db2.gz IAKYNYGJKUOMDY-OKZBNKHCSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3CC)C2)CC[N@H+]1C ZINC001051623846 1216468762 /nfs/dbraw/zinc/46/87/62/1216468762.db2.gz JPBOBZPXSWLXQK-IXDOHACOSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)c1 ZINC001051678265 1216473799 /nfs/dbraw/zinc/47/37/99/1216473799.db2.gz BRGFYZIHTUDHFA-BPQIPLTHSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)c1 ZINC001051678265 1216473805 /nfs/dbraw/zinc/47/38/05/1216473805.db2.gz BRGFYZIHTUDHFA-BPQIPLTHSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)c1 ZINC001051678270 1216474596 /nfs/dbraw/zinc/47/45/96/1216474596.db2.gz BRGFYZIHTUDHFA-KBAYOESNSA-N 2 1 362.474 0.426 20 0 FCADMP Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)c1 ZINC001051678270 1216474599 /nfs/dbraw/zinc/47/45/99/1216474599.db2.gz BRGFYZIHTUDHFA-KBAYOESNSA-N 2 1 362.474 0.426 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001057746376 1216536875 /nfs/dbraw/zinc/53/68/75/1216536875.db2.gz UIRFXHZUWYEAGH-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001057746376 1216536879 /nfs/dbraw/zinc/53/68/79/1216536879.db2.gz UIRFXHZUWYEAGH-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001057746376 1216536884 /nfs/dbraw/zinc/53/68/84/1216536884.db2.gz UIRFXHZUWYEAGH-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001057746377 1216537586 /nfs/dbraw/zinc/53/75/86/1216537586.db2.gz UIRFXHZUWYEAGH-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001057746377 1216537592 /nfs/dbraw/zinc/53/75/92/1216537592.db2.gz UIRFXHZUWYEAGH-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001057746377 1216537596 /nfs/dbraw/zinc/53/75/96/1216537596.db2.gz UIRFXHZUWYEAGH-GVDBMIGSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001057748481 1216539523 /nfs/dbraw/zinc/53/95/23/1216539523.db2.gz HCKAYEHWUGCXDC-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001057748481 1216539530 /nfs/dbraw/zinc/53/95/30/1216539530.db2.gz HCKAYEHWUGCXDC-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001057748481 1216539537 /nfs/dbraw/zinc/53/95/37/1216539537.db2.gz HCKAYEHWUGCXDC-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057865273 1216597903 /nfs/dbraw/zinc/59/79/03/1216597903.db2.gz XONWMAQQZYYLGL-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057865273 1216597908 /nfs/dbraw/zinc/59/79/08/1216597908.db2.gz XONWMAQQZYYLGL-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057865273 1216597915 /nfs/dbraw/zinc/59/79/15/1216597915.db2.gz XONWMAQQZYYLGL-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cn1 ZINC000827451014 1216603541 /nfs/dbraw/zinc/60/35/41/1216603541.db2.gz WXWTUNBTNLHRAM-OAHLLOKOSA-N 2 1 366.429 0.849 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712713 1216695971 /nfs/dbraw/zinc/69/59/71/1216695971.db2.gz KYXNFSANLJADBK-GVDBMIGSSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001067712713 1216695978 /nfs/dbraw/zinc/69/59/78/1216695978.db2.gz KYXNFSANLJADBK-GVDBMIGSSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712713 1216695984 /nfs/dbraw/zinc/69/59/84/1216695984.db2.gz KYXNFSANLJADBK-GVDBMIGSSA-N 2 1 368.522 0.497 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712713 1216695990 /nfs/dbraw/zinc/69/59/90/1216695990.db2.gz KYXNFSANLJADBK-GVDBMIGSSA-N 2 1 368.522 0.497 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001223248322 1225694024 /nfs/dbraw/zinc/69/40/24/1225694024.db2.gz IRYOHEVJWPRYJN-AEGPPILISA-N 2 1 367.494 0.128 20 0 FCADMP CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001069842090 1216805559 /nfs/dbraw/zinc/80/55/59/1216805559.db2.gz UMTBYEJPQZNLKW-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001069842090 1216805561 /nfs/dbraw/zinc/80/55/61/1216805561.db2.gz UMTBYEJPQZNLKW-UWWQBHOKSA-N 2 1 362.474 0.890 20 0 FCADMP CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001069848395 1216806179 /nfs/dbraw/zinc/80/61/79/1216806179.db2.gz YZSVRSFGGKFVFS-HYVNUMGLSA-N 2 1 361.490 0.605 20 0 FCADMP CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001069848395 1216806181 /nfs/dbraw/zinc/80/61/81/1216806181.db2.gz YZSVRSFGGKFVFS-HYVNUMGLSA-N 2 1 361.490 0.605 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927344 1216848919 /nfs/dbraw/zinc/84/89/19/1216848919.db2.gz WNNLLTIANUSMLM-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069927344 1216848922 /nfs/dbraw/zinc/84/89/22/1216848922.db2.gz WNNLLTIANUSMLM-CVEARBPZSA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944367 1216857141 /nfs/dbraw/zinc/85/71/41/1216857141.db2.gz LWNGPUHSBQSMMV-IKGGRYGDSA-N 2 1 362.478 0.283 20 0 FCADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944367 1216857143 /nfs/dbraw/zinc/85/71/43/1216857143.db2.gz LWNGPUHSBQSMMV-IKGGRYGDSA-N 2 1 362.478 0.283 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944367 1216857145 /nfs/dbraw/zinc/85/71/45/1216857145.db2.gz LWNGPUHSBQSMMV-IKGGRYGDSA-N 2 1 362.478 0.283 20 0 FCADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069944367 1216857146 /nfs/dbraw/zinc/85/71/46/1216857146.db2.gz LWNGPUHSBQSMMV-IKGGRYGDSA-N 2 1 362.478 0.283 20 0 FCADMP COC(=O)CC[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276882637 1225699947 /nfs/dbraw/zinc/69/99/47/1225699947.db2.gz OHPKRXGDEDZNRO-LJQANCHMSA-N 2 1 366.506 0.254 20 0 FCADMP COC(=O)CC[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276882637 1225699950 /nfs/dbraw/zinc/69/99/50/1225699950.db2.gz OHPKRXGDEDZNRO-LJQANCHMSA-N 2 1 366.506 0.254 20 0 FCADMP COC(=O)CC[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276882637 1225699952 /nfs/dbraw/zinc/69/99/52/1225699952.db2.gz OHPKRXGDEDZNRO-LJQANCHMSA-N 2 1 366.506 0.254 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1 ZINC001069980168 1216881799 /nfs/dbraw/zinc/88/17/99/1216881799.db2.gz GPSDBDBUMQVZBF-BNICSPFPSA-N 2 1 357.462 0.871 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1 ZINC001069980168 1216881802 /nfs/dbraw/zinc/88/18/02/1216881802.db2.gz GPSDBDBUMQVZBF-BNICSPFPSA-N 2 1 357.462 0.871 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979711 1216881882 /nfs/dbraw/zinc/88/18/82/1216881882.db2.gz KVIQIWBVGFZNHU-CVEARBPZSA-N 2 1 355.402 0.228 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979711 1216881884 /nfs/dbraw/zinc/88/18/84/1216881884.db2.gz KVIQIWBVGFZNHU-CVEARBPZSA-N 2 1 355.402 0.228 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006060 1216892901 /nfs/dbraw/zinc/89/29/01/1216892901.db2.gz BBGMYWXSKDEJNU-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006060 1216892902 /nfs/dbraw/zinc/89/29/02/1216892902.db2.gz BBGMYWXSKDEJNU-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006060 1216892903 /nfs/dbraw/zinc/89/29/03/1216892903.db2.gz BBGMYWXSKDEJNU-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2n2ccnn2)C1 ZINC001070006060 1216892905 /nfs/dbraw/zinc/89/29/05/1216892905.db2.gz BBGMYWXSKDEJNU-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001070009408 1216895983 /nfs/dbraw/zinc/89/59/83/1216895983.db2.gz YQYUXWMVUYKEBA-UAGQMJEPSA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001070009408 1216895988 /nfs/dbraw/zinc/89/59/88/1216895988.db2.gz YQYUXWMVUYKEBA-UAGQMJEPSA-N 2 1 357.462 0.796 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393666 1225703391 /nfs/dbraw/zinc/70/33/91/1225703391.db2.gz QYOPWNFSCSFYPV-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043809585 1217751183 /nfs/dbraw/zinc/75/11/83/1217751183.db2.gz OYERCIKDQTZMLS-MXASKKJJSA-N 2 1 359.474 0.850 20 0 FCADMP Cc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043809585 1217751189 /nfs/dbraw/zinc/75/11/89/1217751189.db2.gz OYERCIKDQTZMLS-MXASKKJJSA-N 2 1 359.474 0.850 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)n1 ZINC001095962704 1217780103 /nfs/dbraw/zinc/78/01/03/1217780103.db2.gz ATFJOUVLBIPARI-SQNIBIBYSA-N 2 1 360.506 0.958 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCc3ncnn32)CC1 ZINC001095965336 1217789824 /nfs/dbraw/zinc/78/98/24/1217789824.db2.gz QPGUYGDXJANVKR-NCOADZHNSA-N 2 1 358.490 0.829 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001045781291 1217953371 /nfs/dbraw/zinc/95/33/71/1217953371.db2.gz FNIUUDGGMMSUBR-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001045781291 1217953378 /nfs/dbraw/zinc/95/33/78/1217953378.db2.gz FNIUUDGGMMSUBR-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001045781291 1217953380 /nfs/dbraw/zinc/95/33/80/1217953380.db2.gz FNIUUDGGMMSUBR-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900192324 1217969498 /nfs/dbraw/zinc/96/94/98/1217969498.db2.gz LKIWKTXFJNSGLQ-TZIWHRDSSA-N 2 1 374.529 0.895 20 0 FCADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000900613937 1218013102 /nfs/dbraw/zinc/01/31/02/1218013102.db2.gz AQTMDPSDCJUBKJ-UHFFFAOYSA-N 2 1 363.506 0.374 20 0 FCADMP CN(C[C@@H](O)CN1CCOCC1)C(=O)C1CCC(N2CCOCC2)CC1 ZINC000900983691 1218066301 /nfs/dbraw/zinc/06/63/01/1218066301.db2.gz IXGBMUJMTHUHHS-DAWZGUTISA-N 2 1 369.506 0.029 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000801542036 1218128234 /nfs/dbraw/zinc/12/82/34/1218128234.db2.gz XLXJWBWPBJTXJO-INIZCTEOSA-N 2 1 371.485 0.684 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000801542036 1218128238 /nfs/dbraw/zinc/12/82/38/1218128238.db2.gz XLXJWBWPBJTXJO-INIZCTEOSA-N 2 1 371.485 0.684 20 0 FCADMP Cc1c[nH]c(=O)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277012141 1225799202 /nfs/dbraw/zinc/79/92/02/1225799202.db2.gz RPEXYODHKJUYRA-IBGZPJMESA-N 2 1 362.474 0.708 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001096309011 1218235836 /nfs/dbraw/zinc/23/58/36/1218235836.db2.gz HSAZIBMWROYGNB-VSZNYVQBSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001096309011 1218235839 /nfs/dbraw/zinc/23/58/39/1218235839.db2.gz HSAZIBMWROYGNB-VSZNYVQBSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCCCC1 ZINC001096354995 1218262897 /nfs/dbraw/zinc/26/28/97/1218262897.db2.gz WRESIGSMBQIPGI-IKGGRYGDSA-N 2 1 360.502 0.816 20 0 FCADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCCCC1 ZINC001096354995 1218262903 /nfs/dbraw/zinc/26/29/03/1218262903.db2.gz WRESIGSMBQIPGI-IKGGRYGDSA-N 2 1 360.502 0.816 20 0 FCADMP C[C@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1N(C)C)C2 ZINC001096364114 1218268258 /nfs/dbraw/zinc/26/82/58/1218268258.db2.gz KOUAGCMRNRJEAE-LGWLGOQQSA-N 2 1 359.474 0.959 20 0 FCADMP Cc1cc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)ncn1 ZINC001048891667 1218336060 /nfs/dbraw/zinc/33/60/60/1218336060.db2.gz TWFDZSGIXGLTPE-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP Cc1cc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)ncn1 ZINC001048891667 1218336066 /nfs/dbraw/zinc/33/60/66/1218336066.db2.gz TWFDZSGIXGLTPE-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)ncn1 ZINC001048891667 1218336071 /nfs/dbraw/zinc/33/60/71/1218336071.db2.gz TWFDZSGIXGLTPE-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)ncn1 ZINC001048891667 1218336076 /nfs/dbraw/zinc/33/60/76/1218336076.db2.gz TWFDZSGIXGLTPE-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001225525506 1225815198 /nfs/dbraw/zinc/81/51/98/1225815198.db2.gz RHHAJSWDHXFYEK-BRWVUGGUSA-N 2 1 366.506 0.250 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CCC2)C1 ZINC001225525506 1225815200 /nfs/dbraw/zinc/81/52/00/1225815200.db2.gz RHHAJSWDHXFYEK-BRWVUGGUSA-N 2 1 366.506 0.250 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)CC1 ZINC001049476231 1218460071 /nfs/dbraw/zinc/46/00/71/1218460071.db2.gz ADIWVJQCTZVRDO-MKXGPGLRSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547461 1218485101 /nfs/dbraw/zinc/48/51/01/1218485101.db2.gz FHHHPOZXMTUIJL-LTIDMASMSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCn2cncn2)O1 ZINC001049547461 1218485109 /nfs/dbraw/zinc/48/51/09/1218485109.db2.gz FHHHPOZXMTUIJL-LTIDMASMSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCn2cncn2)O1 ZINC001049547461 1218485115 /nfs/dbraw/zinc/48/51/15/1218485115.db2.gz FHHHPOZXMTUIJL-LTIDMASMSA-N 2 1 362.478 0.063 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCn2cncn2)O1 ZINC001049547461 1218485118 /nfs/dbraw/zinc/48/51/18/1218485118.db2.gz FHHHPOZXMTUIJL-LTIDMASMSA-N 2 1 362.478 0.063 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903739983 1218512024 /nfs/dbraw/zinc/51/20/24/1218512024.db2.gz RCCJKFWFOKMCQX-AZUAARDMSA-N 3 1 364.534 0.631 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903780592 1218524257 /nfs/dbraw/zinc/52/42/57/1218524257.db2.gz JNLLJEJORMJEKI-JGLNRKDHSA-N 2 1 365.518 0.887 20 0 FCADMP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000903793652 1218529016 /nfs/dbraw/zinc/52/90/16/1218529016.db2.gz HNDVRHHNOQVZHR-UHFFFAOYSA-N 2 1 358.486 0.718 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095351 1218688295 /nfs/dbraw/zinc/68/82/95/1218688295.db2.gz JVPYOQPWCXDDAI-OJLVUWQFSA-N 2 1 362.478 0.044 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095351 1218688299 /nfs/dbraw/zinc/68/82/99/1218688299.db2.gz JVPYOQPWCXDDAI-OJLVUWQFSA-N 2 1 362.478 0.044 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001097854653 1218853331 /nfs/dbraw/zinc/85/33/31/1218853331.db2.gz OACURATVZLUXQE-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001097854653 1218853332 /nfs/dbraw/zinc/85/33/32/1218853332.db2.gz OACURATVZLUXQE-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CCC2=O)C1 ZINC001097854653 1218853334 /nfs/dbraw/zinc/85/33/34/1218853334.db2.gz OACURATVZLUXQE-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CCC2=O)C1 ZINC001097854653 1218853335 /nfs/dbraw/zinc/85/33/35/1218853335.db2.gz OACURATVZLUXQE-FPCVCCKLSA-N 2 1 362.474 0.199 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001226671116 1225851538 /nfs/dbraw/zinc/85/15/38/1225851538.db2.gz HOHBRSAJHLBXNX-HZPDHXFCSA-N 2 1 365.478 0.512 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCc4ccnn4C)C3)C2)CC[N@H+]1C ZINC001053806638 1218891963 /nfs/dbraw/zinc/89/19/63/1218891963.db2.gz NINKYAIEZHSJCE-BFYDXBDKSA-N 2 1 361.490 0.262 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@H+]1C ZINC001054134580 1218898866 /nfs/dbraw/zinc/89/88/66/1218898866.db2.gz IEZXFKCLDOGDPA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001054134580 1218898867 /nfs/dbraw/zinc/89/88/67/1218898867.db2.gz IEZXFKCLDOGDPA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001054134580 1218898870 /nfs/dbraw/zinc/89/88/70/1218898870.db2.gz IEZXFKCLDOGDPA-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@@H+]1C ZINC001054134751 1218898964 /nfs/dbraw/zinc/89/89/64/1218898964.db2.gz MJKAOPKRGFJAPQ-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cnnn4C)C3)C2)CC[N@H+]1C ZINC001054134751 1218898965 /nfs/dbraw/zinc/89/89/65/1218898965.db2.gz MJKAOPKRGFJAPQ-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001054134751 1218898968 /nfs/dbraw/zinc/89/89/68/1218898968.db2.gz MJKAOPKRGFJAPQ-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4cnnn4C)C3)C2)CC[NH+]1C ZINC001054134751 1218898969 /nfs/dbraw/zinc/89/89/69/1218898969.db2.gz MJKAOPKRGFJAPQ-SZVBFZGTSA-N 2 1 360.506 0.970 20 0 FCADMP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226831544 1225855607 /nfs/dbraw/zinc/85/56/07/1225855607.db2.gz SKGCMNRLPZZQLO-RCCFBDPRSA-N 2 1 371.522 0.512 20 0 FCADMP COC[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055544438 1219075219 /nfs/dbraw/zinc/07/52/19/1219075219.db2.gz UZJNAWZNTGEAJK-ZMSDIMECSA-N 2 1 368.522 0.306 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227093084 1225863775 /nfs/dbraw/zinc/86/37/75/1225863775.db2.gz ZRGALYCDEDGINV-ZACQAIPSSA-N 2 1 368.522 0.640 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055590010 1219091007 /nfs/dbraw/zinc/09/10/07/1219091007.db2.gz YAIIPRPGAWHQGZ-QAPCUYQASA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1)[NH+](C)C ZINC001055595163 1219093804 /nfs/dbraw/zinc/09/38/04/1219093804.db2.gz PRGLRPNUGNLVET-GMBSWORKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000804058934 1219111557 /nfs/dbraw/zinc/11/15/57/1219111557.db2.gz GYWYMNXUQWIJDH-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059049 1219111815 /nfs/dbraw/zinc/11/18/15/1219111815.db2.gz JWUHPNZQGDQOLK-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000804063078 1219118402 /nfs/dbraw/zinc/11/84/02/1219118402.db2.gz PBMAENNTNJHEJX-BRWVUGGUSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000804063078 1219118407 /nfs/dbraw/zinc/11/84/07/1219118407.db2.gz PBMAENNTNJHEJX-BRWVUGGUSA-N 2 1 364.490 0.099 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000804063078 1219118412 /nfs/dbraw/zinc/11/84/12/1219118412.db2.gz PBMAENNTNJHEJX-BRWVUGGUSA-N 2 1 364.490 0.099 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CC[NH+](C)C)CCOCC2)CC[N@H+]1C ZINC001070133516 1219208921 /nfs/dbraw/zinc/20/89/21/1219208921.db2.gz CWGQGHKNQIXKIM-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158557 1219244709 /nfs/dbraw/zinc/24/47/09/1219244709.db2.gz POBSAMWYKCLIRK-KURKYZTESA-N 2 1 369.473 0.617 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208912 1219294271 /nfs/dbraw/zinc/29/42/71/1219294271.db2.gz DOOHNORJCANWLK-FGTMMUONSA-N 2 1 369.473 0.555 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208969 1219294803 /nfs/dbraw/zinc/29/48/03/1219294803.db2.gz GZUCILFNZMBVQY-OIISXLGYSA-N 2 1 362.478 0.140 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227742530 1225883572 /nfs/dbraw/zinc/88/35/72/1225883572.db2.gz QTAQLTQNJWCDQX-HUUCEWRRSA-N 2 1 363.510 0.992 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070268214 1219336422 /nfs/dbraw/zinc/33/64/22/1219336422.db2.gz CRFKXMZEANBLFB-FGTMMUONSA-N 2 1 371.489 0.801 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070275383 1219342250 /nfs/dbraw/zinc/34/22/50/1219342250.db2.gz JPTFKXICWMLBGH-NXHRZFHOSA-N 2 1 369.473 0.557 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070275383 1219342254 /nfs/dbraw/zinc/34/22/54/1219342254.db2.gz JPTFKXICWMLBGH-NXHRZFHOSA-N 2 1 369.473 0.557 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070309829 1219367783 /nfs/dbraw/zinc/36/77/83/1219367783.db2.gz FEYSJRWOLPBUAY-NXHRZFHOSA-N 2 1 369.473 0.557 20 0 FCADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327163 1219377225 /nfs/dbraw/zinc/37/72/25/1219377225.db2.gz VSMFWNRZCHPDDH-JQHSSLGASA-N 2 1 369.473 0.475 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC001070354627 1219392292 /nfs/dbraw/zinc/39/22/92/1219392292.db2.gz SHCWWZYFCWGJMY-KBPBESRZSA-N 2 1 362.478 0.531 20 0 FCADMP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070367306 1219399261 /nfs/dbraw/zinc/39/92/61/1219399261.db2.gz OQNRXMSQJDBNQY-RYRKJORJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CC3CC3)C2)O1 ZINC001070412816 1219409775 /nfs/dbraw/zinc/40/97/75/1219409775.db2.gz KWXWEXOFTAPKPV-UKPHBRMFSA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CC3CC3)C2)O1 ZINC001070412816 1219409798 /nfs/dbraw/zinc/40/97/98/1219409798.db2.gz KWXWEXOFTAPKPV-UKPHBRMFSA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CC3CC3)C2)O1 ZINC001070412816 1219409802 /nfs/dbraw/zinc/40/98/02/1219409802.db2.gz KWXWEXOFTAPKPV-UKPHBRMFSA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CC3CC3)C2)O1 ZINC001070412816 1219409804 /nfs/dbraw/zinc/40/98/04/1219409804.db2.gz KWXWEXOFTAPKPV-UKPHBRMFSA-N 2 1 361.490 0.944 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070475375 1219426137 /nfs/dbraw/zinc/42/61/37/1219426137.db2.gz QCQRDCCUSITCPZ-JQHSSLGASA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070475635 1219427054 /nfs/dbraw/zinc/42/70/54/1219427054.db2.gz YSJGVNSRKNZPIL-UAGQMJEPSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001070475635 1219427055 /nfs/dbraw/zinc/42/70/55/1219427055.db2.gz YSJGVNSRKNZPIL-UAGQMJEPSA-N 2 1 371.489 0.332 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070499175 1219440409 /nfs/dbraw/zinc/44/04/09/1219440409.db2.gz FUGBIANQJYKDTD-USXIJHARSA-N 2 1 359.478 0.151 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070563989 1219471387 /nfs/dbraw/zinc/47/13/87/1219471387.db2.gz OZIGPJWHIGYZJN-UWWQBHOKSA-N 2 1 371.489 0.190 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655381 1219509785 /nfs/dbraw/zinc/50/97/85/1219509785.db2.gz JPHINJGMGRGDSF-BFYDXBDKSA-N 2 1 359.478 0.151 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001070924910 1219582785 /nfs/dbraw/zinc/58/27/85/1219582785.db2.gz XWLYZJRMHHGNHZ-XHSDSOJGSA-N 2 1 368.453 0.548 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001070924910 1219582787 /nfs/dbraw/zinc/58/27/87/1219582787.db2.gz XWLYZJRMHHGNHZ-XHSDSOJGSA-N 2 1 368.453 0.548 20 0 FCADMP CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001071072710 1219600476 /nfs/dbraw/zinc/60/04/76/1219600476.db2.gz JAWWEXDEHWHTAQ-LIAUFEBVSA-N 2 1 363.502 0.855 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071080144 1219601394 /nfs/dbraw/zinc/60/13/94/1219601394.db2.gz OSNLRKVYBHAWFQ-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071080144 1219601396 /nfs/dbraw/zinc/60/13/96/1219601396.db2.gz OSNLRKVYBHAWFQ-KURKYZTESA-N 2 1 369.506 0.074 20 0 FCADMP CC[C@H](C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001073125014 1219639077 /nfs/dbraw/zinc/63/90/77/1219639077.db2.gz JOWUYLYTUZQCHN-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@H](C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC001073125014 1219639080 /nfs/dbraw/zinc/63/90/80/1219639080.db2.gz JOWUYLYTUZQCHN-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001073165883 1219639806 /nfs/dbraw/zinc/63/98/06/1219639806.db2.gz XJOXOGWVHXTRQP-HZPDHXFCSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CCC(C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073256422 1219646480 /nfs/dbraw/zinc/64/64/80/1219646480.db2.gz VTQWHPZCPPCMPK-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073256422 1219646484 /nfs/dbraw/zinc/64/64/84/1219646484.db2.gz VTQWHPZCPPCMPK-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073256422 1219646487 /nfs/dbraw/zinc/64/64/87/1219646487.db2.gz VTQWHPZCPPCMPK-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073256422 1219646490 /nfs/dbraw/zinc/64/64/90/1219646490.db2.gz VTQWHPZCPPCMPK-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)c3)CCCO2)CC[N@@H+]1C ZINC001073605661 1219671905 /nfs/dbraw/zinc/67/19/05/1219671905.db2.gz QGSQJPRSLWCQFJ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)c3)CCCO2)CC[N@H+]1C ZINC001073605661 1219671909 /nfs/dbraw/zinc/67/19/09/1219671909.db2.gz QGSQJPRSLWCQFJ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073605661 1219671912 /nfs/dbraw/zinc/67/19/12/1219671912.db2.gz QGSQJPRSLWCQFJ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)CCCO2)CC[NH+]1C ZINC001073605661 1219671915 /nfs/dbraw/zinc/67/19/15/1219671915.db2.gz QGSQJPRSLWCQFJ-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663866 1219711955 /nfs/dbraw/zinc/71/19/55/1219711955.db2.gz UXDPILLBDXADIK-YHUYYLMFSA-N 2 1 363.510 0.892 20 0 FCADMP CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663866 1219711959 /nfs/dbraw/zinc/71/19/59/1219711959.db2.gz UXDPILLBDXADIK-YHUYYLMFSA-N 2 1 363.510 0.892 20 0 FCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)CC1 ZINC001098398836 1219773264 /nfs/dbraw/zinc/77/32/64/1219773264.db2.gz NHRMLGMVUOHDTA-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)CC1 ZINC001098398836 1219773268 /nfs/dbraw/zinc/77/32/68/1219773268.db2.gz NHRMLGMVUOHDTA-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC001098398836 1219773270 /nfs/dbraw/zinc/77/32/70/1219773270.db2.gz NHRMLGMVUOHDTA-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP CC1CCN(C(=O)C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001098398836 1219773272 /nfs/dbraw/zinc/77/32/72/1219773272.db2.gz NHRMLGMVUOHDTA-MLHJIOFPSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)c1 ZINC001098459866 1219787166 /nfs/dbraw/zinc/78/71/66/1219787166.db2.gz UFSFTERGDDHMSV-BDXSIMOUSA-N 2 1 356.470 0.972 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)c1 ZINC001098459866 1219787169 /nfs/dbraw/zinc/78/71/69/1219787169.db2.gz UFSFTERGDDHMSV-BDXSIMOUSA-N 2 1 356.470 0.972 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCN1C(=O)CCC1=O)C2 ZINC001098755241 1219820265 /nfs/dbraw/zinc/82/02/65/1219820265.db2.gz WCWINDQBMVMQRG-DOXZYTNZSA-N 2 1 362.474 0.200 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC001098846602 1219839214 /nfs/dbraw/zinc/83/92/14/1219839214.db2.gz MOKAUNSSGMEJPI-LJCCNALRSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001098846602 1219839215 /nfs/dbraw/zinc/83/92/15/1219839215.db2.gz MOKAUNSSGMEJPI-LJCCNALRSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001098846602 1219839219 /nfs/dbraw/zinc/83/92/19/1219839219.db2.gz MOKAUNSSGMEJPI-LJCCNALRSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCCC2=O)C3)CC[N@H+]1C ZINC001098845389 1219839409 /nfs/dbraw/zinc/83/94/09/1219839409.db2.gz VSXNFDODUOMGQP-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCCC2=O)C3)CC[NH+]1C ZINC001098845389 1219839411 /nfs/dbraw/zinc/83/94/11/1219839411.db2.gz VSXNFDODUOMGQP-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCCC2=O)C3)CC[NH+]1C ZINC001098845389 1219839412 /nfs/dbraw/zinc/83/94/12/1219839412.db2.gz VSXNFDODUOMGQP-YZLZLFLDSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001098946524 1219871904 /nfs/dbraw/zinc/87/19/04/1219871904.db2.gz RVZJHGKZDPJWGW-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001098946524 1219871909 /nfs/dbraw/zinc/87/19/09/1219871909.db2.gz RVZJHGKZDPJWGW-BXWFABGCSA-N 2 1 359.474 0.783 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCN(C)C2=O)C3)CC1 ZINC001099093228 1219909425 /nfs/dbraw/zinc/90/94/25/1219909425.db2.gz YBPSHPNZNIYTEW-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159532 1219935237 /nfs/dbraw/zinc/93/52/37/1219935237.db2.gz HNLYCMUUFSNOPT-VCBZYWHSSA-N 2 1 362.474 0.058 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159532 1219935242 /nfs/dbraw/zinc/93/52/42/1219935242.db2.gz HNLYCMUUFSNOPT-VCBZYWHSSA-N 2 1 362.474 0.058 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2C(=O)CCC2=O)C3)C1 ZINC001099159532 1219935245 /nfs/dbraw/zinc/93/52/45/1219935245.db2.gz HNLYCMUUFSNOPT-VCBZYWHSSA-N 2 1 362.474 0.058 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CCOCC3)C2)C1 ZINC001099403329 1219982970 /nfs/dbraw/zinc/98/29/70/1219982970.db2.gz KDBUADGGOIWBHZ-NSHGMRRFSA-N 2 1 365.518 0.962 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CCOCC3)C2)C1 ZINC001099403329 1219982974 /nfs/dbraw/zinc/98/29/74/1219982974.db2.gz KDBUADGGOIWBHZ-NSHGMRRFSA-N 2 1 365.518 0.962 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)CC[N@H+]1C ZINC001099437326 1219995766 /nfs/dbraw/zinc/99/57/66/1219995766.db2.gz NMTSSFMNWCCILY-GFIVTLFCSA-N 2 1 360.506 0.874 20 0 FCADMP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[N@@H+](C)C2CCC2)C3)C1=O ZINC001099447207 1220000091 /nfs/dbraw/zinc/00/00/91/1220000091.db2.gz ZAJRFKZYRYRWQF-KNBMTAEXSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCn1c2cc(NC(=O)CC[NH+]3CCOCC3)ccc2oc1=O ZINC000751387279 1220035123 /nfs/dbraw/zinc/03/51/23/1220035123.db2.gz OTGOWKJZCOJSIA-UHFFFAOYSA-N 2 1 362.430 0.817 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101257294 1220250865 /nfs/dbraw/zinc/25/08/65/1220250865.db2.gz NQUMZVUERZGAJQ-MDZRGWNJSA-N 2 1 370.513 0.971 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300188 1220277262 /nfs/dbraw/zinc/27/72/62/1220277262.db2.gz MPQFCZLMEPZMDU-MDZRGWNJSA-N 2 1 361.490 0.887 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300188 1220277263 /nfs/dbraw/zinc/27/72/63/1220277263.db2.gz MPQFCZLMEPZMDU-MDZRGWNJSA-N 2 1 361.490 0.887 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001101340321 1220294161 /nfs/dbraw/zinc/29/41/61/1220294161.db2.gz IKGICSFNLCCSQE-GJYPPUQNSA-N 2 1 365.474 0.742 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393828 1220319644 /nfs/dbraw/zinc/31/96/44/1220319644.db2.gz HQYKOZOUTUDUEA-AOIWGVFYSA-N 2 1 364.490 0.759 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393828 1220319648 /nfs/dbraw/zinc/31/96/48/1220319648.db2.gz HQYKOZOUTUDUEA-AOIWGVFYSA-N 2 1 364.490 0.759 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394120 1220320493 /nfs/dbraw/zinc/32/04/93/1220320493.db2.gz VZOYWIPOHUCBBO-OGWOLHLISA-N 2 1 361.490 0.887 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394120 1220320501 /nfs/dbraw/zinc/32/05/01/1220320501.db2.gz VZOYWIPOHUCBBO-OGWOLHLISA-N 2 1 361.490 0.887 20 0 FCADMP CCn1ccnc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431668 1220341923 /nfs/dbraw/zinc/34/19/23/1220341923.db2.gz ZCQIRCPHCZSYDS-APWZRJJASA-N 2 1 363.506 0.762 20 0 FCADMP CCn1ccnc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431668 1220341927 /nfs/dbraw/zinc/34/19/27/1220341927.db2.gz ZCQIRCPHCZSYDS-APWZRJJASA-N 2 1 363.506 0.762 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460462 1220358813 /nfs/dbraw/zinc/35/88/13/1220358813.db2.gz GRXJJWGCXATAIK-FCEWJHQRSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460462 1220358817 /nfs/dbraw/zinc/35/88/17/1220358817.db2.gz GRXJJWGCXATAIK-FCEWJHQRSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460462 1220358822 /nfs/dbraw/zinc/35/88/22/1220358822.db2.gz GRXJJWGCXATAIK-FCEWJHQRSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461870 1220360666 /nfs/dbraw/zinc/36/06/66/1220360666.db2.gz XCPLAQWBZPLPMP-GGPKGHCWSA-N 2 1 367.534 0.896 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469521 1220363515 /nfs/dbraw/zinc/36/35/15/1220363515.db2.gz VHKJTHVIYKWKDO-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469521 1220363517 /nfs/dbraw/zinc/36/35/17/1220363517.db2.gz VHKJTHVIYKWKDO-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469521 1220363521 /nfs/dbraw/zinc/36/35/21/1220363521.db2.gz VHKJTHVIYKWKDO-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCOCC4CC4)C[C@@]3(C)C2)C1 ZINC001101469521 1220363525 /nfs/dbraw/zinc/36/35/25/1220363525.db2.gz VHKJTHVIYKWKDO-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001101473127 1220365275 /nfs/dbraw/zinc/36/52/75/1220365275.db2.gz HGLKRASSRDEYMW-UZLBHIALSA-N 2 1 362.518 0.921 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047340 1220477287 /nfs/dbraw/zinc/47/72/87/1220477287.db2.gz CNUGEXYAMSPDOC-QGPMSJSTSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102070899 1220486159 /nfs/dbraw/zinc/48/61/59/1220486159.db2.gz WECMGWSTYUUTAA-FMKPAKJESA-N 2 1 366.510 0.906 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102070899 1220486161 /nfs/dbraw/zinc/48/61/61/1220486161.db2.gz WECMGWSTYUUTAA-FMKPAKJESA-N 2 1 366.510 0.906 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)ccc2c[nH+]cn21 ZINC001102109414 1220500771 /nfs/dbraw/zinc/50/07/71/1220500771.db2.gz JZLDQVWPHHHILN-GDBMZVCRSA-N 2 1 360.458 0.949 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156227 1220527150 /nfs/dbraw/zinc/52/71/50/1220527150.db2.gz OEFKWWDHSQEMFX-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156227 1220527154 /nfs/dbraw/zinc/52/71/54/1220527154.db2.gz OEFKWWDHSQEMFX-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214744 1220557995 /nfs/dbraw/zinc/55/79/95/1220557995.db2.gz BYSIQVJQDYSDOE-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001102276825 1220568917 /nfs/dbraw/zinc/56/89/17/1220568917.db2.gz XSFJNGBFBWTTNT-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001102276825 1220568929 /nfs/dbraw/zinc/56/89/29/1220568929.db2.gz XSFJNGBFBWTTNT-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001102276825 1220568940 /nfs/dbraw/zinc/56/89/40/1220568940.db2.gz XSFJNGBFBWTTNT-MXSMSXNCSA-N 2 1 364.534 0.927 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001102285090 1220572906 /nfs/dbraw/zinc/57/29/06/1220572906.db2.gz AJHSYQFBRUPUCN-DJIMGWMZSA-N 2 1 364.490 0.447 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001102285090 1220572909 /nfs/dbraw/zinc/57/29/09/1220572909.db2.gz AJHSYQFBRUPUCN-DJIMGWMZSA-N 2 1 364.490 0.447 20 0 FCADMP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)no1 ZINC001102292387 1220576428 /nfs/dbraw/zinc/57/64/28/1220576428.db2.gz LFXKGHASNXJZCW-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)no1 ZINC001102292387 1220576433 /nfs/dbraw/zinc/57/64/33/1220576433.db2.gz LFXKGHASNXJZCW-UKRRQHHQSA-N 2 1 365.478 0.947 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292723 1220576637 /nfs/dbraw/zinc/57/66/37/1220576637.db2.gz ZSYGUPOAGSEEIO-ZACQAIPSSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)n1 ZINC001102288812 1220576763 /nfs/dbraw/zinc/57/67/63/1220576763.db2.gz WUGFJMHCZVAITK-RHSMWYFYSA-N 2 1 362.522 0.921 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318796 1220581768 /nfs/dbraw/zinc/58/17/68/1220581768.db2.gz KJXOJSXSZFPLKR-SIIHOXLZSA-N 2 1 364.465 0.988 20 0 FCADMP C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318796 1220581774 /nfs/dbraw/zinc/58/17/74/1220581774.db2.gz KJXOJSXSZFPLKR-SIIHOXLZSA-N 2 1 364.465 0.988 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102330437 1220584575 /nfs/dbraw/zinc/58/45/75/1220584575.db2.gz VEWBNOHYERHZAR-JFIYKMOQSA-N 2 1 368.522 0.116 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368320 1220597548 /nfs/dbraw/zinc/59/75/48/1220597548.db2.gz PODYQYVYPNHRJB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368320 1220597553 /nfs/dbraw/zinc/59/75/53/1220597553.db2.gz PODYQYVYPNHRJB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368320 1220597561 /nfs/dbraw/zinc/59/75/61/1220597561.db2.gz PODYQYVYPNHRJB-BRWVUGGUSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@H](COCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102384955 1220603330 /nfs/dbraw/zinc/60/33/30/1220603330.db2.gz KWGKDENTSLRPAV-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434191 1220623834 /nfs/dbraw/zinc/62/38/34/1220623834.db2.gz SMUDAMFSVYMHHV-IJEWVQPXSA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434191 1220623844 /nfs/dbraw/zinc/62/38/44/1220623844.db2.gz SMUDAMFSVYMHHV-IJEWVQPXSA-N 2 1 363.510 0.687 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486712 1220650438 /nfs/dbraw/zinc/65/04/38/1220650438.db2.gz RSONAAXZSQLHPQ-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102497406 1220658294 /nfs/dbraw/zinc/65/82/94/1220658294.db2.gz REECEDPSUFTRPP-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102497406 1220658295 /nfs/dbraw/zinc/65/82/95/1220658295.db2.gz REECEDPSUFTRPP-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC001102497406 1220658296 /nfs/dbraw/zinc/65/82/96/1220658296.db2.gz REECEDPSUFTRPP-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141683 1225983203 /nfs/dbraw/zinc/98/32/03/1225983203.db2.gz HSHITSSDSIYYIJ-BRWVUGGUSA-N 2 1 368.522 0.640 20 0 FCADMP CC(C)n1cc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1 ZINC001102511261 1220669987 /nfs/dbraw/zinc/66/99/87/1220669987.db2.gz PMLXMKNQBGCXIP-HZPDHXFCSA-N 2 1 366.510 0.621 20 0 FCADMP CC(C)n1cc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)nn1 ZINC001102511261 1220669990 /nfs/dbraw/zinc/66/99/90/1220669990.db2.gz PMLXMKNQBGCXIP-HZPDHXFCSA-N 2 1 366.510 0.621 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C(=O)NC1CC1 ZINC001229141332 1225983886 /nfs/dbraw/zinc/98/38/86/1225983886.db2.gz CBXICZPOVCNFTR-DJIMGWMZSA-N 2 1 366.506 0.393 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513766 1220671946 /nfs/dbraw/zinc/67/19/46/1220671946.db2.gz AJDSZJFWZFFURH-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513766 1220671948 /nfs/dbraw/zinc/67/19/48/1220671948.db2.gz AJDSZJFWZFFURH-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513766 1220671952 /nfs/dbraw/zinc/67/19/52/1220671952.db2.gz AJDSZJFWZFFURH-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520300 1220678881 /nfs/dbraw/zinc/67/88/81/1220678881.db2.gz FBZQOSFDICNPJF-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579888 1220701379 /nfs/dbraw/zinc/70/13/79/1220701379.db2.gz VLGXIRKGDAOLMS-HZPDHXFCSA-N 2 1 362.474 0.676 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596543 1220718515 /nfs/dbraw/zinc/71/85/15/1220718515.db2.gz LXSNLXYZGOZISD-OWCLPIDISA-N 2 1 363.510 0.831 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596543 1220718524 /nfs/dbraw/zinc/71/85/24/1220718524.db2.gz LXSNLXYZGOZISD-OWCLPIDISA-N 2 1 363.510 0.831 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599022 1220721284 /nfs/dbraw/zinc/72/12/84/1220721284.db2.gz LIDODMSGRNEMPO-OAGGEKHMSA-N 2 1 364.490 0.352 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993702 1220817564 /nfs/dbraw/zinc/81/75/64/1220817564.db2.gz FORQEBHTALVTTO-KBAYOESNSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083955 1220831315 /nfs/dbraw/zinc/83/13/15/1220831315.db2.gz QITBUNIUYUAFOJ-KFWWJZLASA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148389 1220840775 /nfs/dbraw/zinc/84/07/75/1220840775.db2.gz ZVNZQVWJCZXEML-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148389 1220840776 /nfs/dbraw/zinc/84/07/76/1220840776.db2.gz ZVNZQVWJCZXEML-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148389 1220840778 /nfs/dbraw/zinc/84/07/78/1220840778.db2.gz ZVNZQVWJCZXEML-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170783 1220843767 /nfs/dbraw/zinc/84/37/67/1220843767.db2.gz IFZXCSKDAKCZIN-KFWWJZLASA-N 2 1 368.478 0.431 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170783 1220843769 /nfs/dbraw/zinc/84/37/69/1220843769.db2.gz IFZXCSKDAKCZIN-KFWWJZLASA-N 2 1 368.478 0.431 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103219175 1220852513 /nfs/dbraw/zinc/85/25/13/1220852513.db2.gz ULSGSJYSZOSQPA-QLFBSQMISA-N 2 1 370.457 0.829 20 0 FCADMP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001103267989 1220858774 /nfs/dbraw/zinc/85/87/74/1220858774.db2.gz MPKJFWORGNTAAL-QRQLOZEOSA-N 2 1 367.534 0.944 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378700 1220873660 /nfs/dbraw/zinc/87/36/60/1220873660.db2.gz FYRWQWDYJFJXPT-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395991 1220877395 /nfs/dbraw/zinc/87/73/95/1220877395.db2.gz XLSSNKYUZNBOKJ-CRAIPNDOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103397001 1220877428 /nfs/dbraw/zinc/87/74/28/1220877428.db2.gz TXDYAMHQODSQKF-FVQBIDKESA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436389 1220882340 /nfs/dbraw/zinc/88/23/40/1220882340.db2.gz WCGYSLLHPKZOOD-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436389 1220882341 /nfs/dbraw/zinc/88/23/41/1220882341.db2.gz WCGYSLLHPKZOOD-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436389 1220882344 /nfs/dbraw/zinc/88/23/44/1220882344.db2.gz WCGYSLLHPKZOOD-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103550435 1220899688 /nfs/dbraw/zinc/89/96/88/1220899688.db2.gz QEXRNXVNSFSYQZ-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)on1 ZINC001103643221 1220925967 /nfs/dbraw/zinc/92/59/67/1220925967.db2.gz GUEQAVYCCJPVHE-HUUCEWRRSA-N 2 1 368.478 0.836 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642248 1220926097 /nfs/dbraw/zinc/92/60/97/1220926097.db2.gz WMMHSQCTRMYFDA-SJLPKXTDSA-N 2 1 365.522 0.615 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643446 1220926194 /nfs/dbraw/zinc/92/61/94/1220926194.db2.gz KCSVGAFGZDUQKV-NVXWUHKLSA-N 2 1 363.506 0.937 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001103647813 1220927502 /nfs/dbraw/zinc/92/75/02/1220927502.db2.gz FALCCWVDFBTBHG-CPUCHLNUSA-N 2 1 359.474 0.724 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662826 1220932950 /nfs/dbraw/zinc/93/29/50/1220932950.db2.gz TWXQISWREUFZDQ-QLFBSQMISA-N 2 1 369.510 0.376 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662826 1220932953 /nfs/dbraw/zinc/93/29/53/1220932953.db2.gz TWXQISWREUFZDQ-QLFBSQMISA-N 2 1 369.510 0.376 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662826 1220932955 /nfs/dbraw/zinc/93/29/55/1220932955.db2.gz TWXQISWREUFZDQ-QLFBSQMISA-N 2 1 369.510 0.376 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742803 1220959495 /nfs/dbraw/zinc/95/94/95/1220959495.db2.gz WLOFSFRIYQBSHP-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742803 1220959496 /nfs/dbraw/zinc/95/94/96/1220959496.db2.gz WLOFSFRIYQBSHP-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742803 1220959497 /nfs/dbraw/zinc/95/94/97/1220959497.db2.gz WLOFSFRIYQBSHP-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)C1 ZINC001103742803 1220959498 /nfs/dbraw/zinc/95/94/98/1220959498.db2.gz WLOFSFRIYQBSHP-NUJGCVRESA-N 2 1 363.506 0.715 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755624 1220966180 /nfs/dbraw/zinc/96/61/80/1220966180.db2.gz MVRCEFUQQJEYNK-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755624 1220966184 /nfs/dbraw/zinc/96/61/84/1220966184.db2.gz MVRCEFUQQJEYNK-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755624 1220966193 /nfs/dbraw/zinc/96/61/93/1220966193.db2.gz MVRCEFUQQJEYNK-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999996 1220996785 /nfs/dbraw/zinc/99/67/85/1220996785.db2.gz RIAUYWNAFVASDF-OAGGEKHMSA-N 2 1 363.510 0.752 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999728 1220997055 /nfs/dbraw/zinc/99/70/55/1220997055.db2.gz JPZLEVUDZUGJKC-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001104185691 1221017373 /nfs/dbraw/zinc/01/73/73/1221017373.db2.gz KHRRXJQFELJSDP-OAGGEKHMSA-N 2 1 363.510 0.657 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858026 1221138671 /nfs/dbraw/zinc/13/86/71/1221138671.db2.gz KUCJWFWCNKTLBA-SCTDSRPQSA-N 2 1 371.522 0.323 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858073 1221138708 /nfs/dbraw/zinc/13/87/08/1221138708.db2.gz NFUOMDDXDOWPPR-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858073 1221138709 /nfs/dbraw/zinc/13/87/09/1221138709.db2.gz NFUOMDDXDOWPPR-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@H]1CCOC1)C2 ZINC001111864329 1221141148 /nfs/dbraw/zinc/14/11/48/1221141148.db2.gz KXLMQCDOXMHJME-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@H]1CCOC1)C2 ZINC001111864329 1221141152 /nfs/dbraw/zinc/14/11/52/1221141152.db2.gz KXLMQCDOXMHJME-GJYPPUQNSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111870677 1221144284 /nfs/dbraw/zinc/14/42/84/1221144284.db2.gz JDZNMZRMIPIBLW-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CC1)C2 ZINC001111870677 1221144289 /nfs/dbraw/zinc/14/42/89/1221144289.db2.gz JDZNMZRMIPIBLW-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111870677 1221144292 /nfs/dbraw/zinc/14/42/92/1221144292.db2.gz JDZNMZRMIPIBLW-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111870677 1221144297 /nfs/dbraw/zinc/14/42/97/1221144297.db2.gz JDZNMZRMIPIBLW-SYNHAJSKSA-N 2 1 362.518 0.968 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984820 1221194074 /nfs/dbraw/zinc/19/40/74/1221194074.db2.gz PUUVWPSDIQEWRJ-HKUYNNGSSA-N 2 1 366.506 0.206 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984820 1221194076 /nfs/dbraw/zinc/19/40/76/1221194076.db2.gz PUUVWPSDIQEWRJ-HKUYNNGSSA-N 2 1 366.506 0.206 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112008039 1221199715 /nfs/dbraw/zinc/19/97/15/1221199715.db2.gz PUNNRKCBLFQKOA-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112008039 1221199717 /nfs/dbraw/zinc/19/97/17/1221199717.db2.gz PUNNRKCBLFQKOA-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112008039 1221199722 /nfs/dbraw/zinc/19/97/22/1221199722.db2.gz PUNNRKCBLFQKOA-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112008039 1221199724 /nfs/dbraw/zinc/19/97/24/1221199724.db2.gz PUNNRKCBLFQKOA-LPHOPBHVSA-N 2 1 368.522 0.450 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112285219 1221230422 /nfs/dbraw/zinc/23/04/22/1221230422.db2.gz PRKZKKONHIYTIQ-FCEWJHQRSA-N 2 1 363.506 0.324 20 0 FCADMP Cc1cc(N(C)CCOCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)n1 ZINC001115267243 1221276665 /nfs/dbraw/zinc/27/66/65/1221276665.db2.gz SHLTVSLNAPIZIB-GDBMZVCRSA-N 2 1 365.478 0.382 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CCCCC2)CC[N@@H+]1C ZINC001115545051 1221313130 /nfs/dbraw/zinc/31/31/30/1221313130.db2.gz OSHAUAAZUFTZNB-LSDHHAIUSA-N 2 1 363.510 0.849 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CCCCC2)CC[N@H+]1C ZINC001115545051 1221313135 /nfs/dbraw/zinc/31/31/35/1221313135.db2.gz OSHAUAAZUFTZNB-LSDHHAIUSA-N 2 1 363.510 0.849 20 0 FCADMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593191 1221317145 /nfs/dbraw/zinc/31/71/45/1221317145.db2.gz BEDJUOPGDUOGLS-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593191 1221317150 /nfs/dbraw/zinc/31/71/50/1221317150.db2.gz BEDJUOPGDUOGLS-HZPDHXFCSA-N 2 1 368.522 0.593 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001229860172 1226037476 /nfs/dbraw/zinc/03/74/76/1226037476.db2.gz NJRPFLHTWSTCFB-RRFJBIMHSA-N 2 1 369.510 0.579 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001116886585 1221400007 /nfs/dbraw/zinc/40/00/07/1221400007.db2.gz NIDITMRJICHKIU-KRWDZBQOSA-N 2 1 366.506 0.430 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001116886585 1221400012 /nfs/dbraw/zinc/40/00/12/1221400012.db2.gz NIDITMRJICHKIU-KRWDZBQOSA-N 2 1 366.506 0.430 20 0 FCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001230075180 1226050830 /nfs/dbraw/zinc/05/08/30/1226050830.db2.gz XYEKDDSILSIDLI-QGZVFWFLSA-N 2 1 367.538 0.519 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)C)C1 ZINC001230215817 1226065177 /nfs/dbraw/zinc/06/51/77/1226065177.db2.gz ZIVAYDWLAKKAKK-ZACQAIPSSA-N 2 1 368.522 0.496 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC(C)C)C1 ZINC001230215817 1226065186 /nfs/dbraw/zinc/06/51/86/1226065186.db2.gz ZIVAYDWLAKKAKK-ZACQAIPSSA-N 2 1 368.522 0.496 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001230284562 1226071792 /nfs/dbraw/zinc/07/17/92/1226071792.db2.gz KXHVQVKEUBVVME-GVDBMIGSSA-N 2 1 368.522 0.496 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356451 1221905388 /nfs/dbraw/zinc/90/53/88/1221905388.db2.gz HBCZECOCUNXMNE-NRSFXHEJSA-N 2 1 358.486 0.867 20 0 FCADMP CN1CC[C@H](N2CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604620 1222108262 /nfs/dbraw/zinc/10/82/62/1222108262.db2.gz VZBTUIMUFDWBMY-UXHICEINSA-N 2 1 374.529 0.764 20 0 FCADMP CN1CC[C@H](N2CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC001120604620 1222108266 /nfs/dbraw/zinc/10/82/66/1222108266.db2.gz VZBTUIMUFDWBMY-UXHICEINSA-N 2 1 374.529 0.764 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001120643231 1222110583 /nfs/dbraw/zinc/11/05/83/1222110583.db2.gz YRUYGQPDGAGGGY-ULQDDVLXSA-N 2 1 366.506 0.386 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001121921948 1222224097 /nfs/dbraw/zinc/22/40/97/1222224097.db2.gz WUGNDSWWGAGAGB-IBGZPJMESA-N 2 1 359.518 0.166 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001122137013 1222244349 /nfs/dbraw/zinc/24/43/49/1222244349.db2.gz UAAIRCKKJUKIPB-GVDBMIGSSA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001122137013 1222244357 /nfs/dbraw/zinc/24/43/57/1222244357.db2.gz UAAIRCKKJUKIPB-GVDBMIGSSA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001122137013 1222244360 /nfs/dbraw/zinc/24/43/60/1222244360.db2.gz UAAIRCKKJUKIPB-GVDBMIGSSA-N 3 1 367.538 0.295 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001123513297 1222336730 /nfs/dbraw/zinc/33/67/30/1222336730.db2.gz WRABSNRJTUPXMN-VQIMIIECSA-N 2 1 357.502 0.761 20 0 FCADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000828603369 1222410590 /nfs/dbraw/zinc/41/05/90/1222410590.db2.gz OAFUUDILBFNVIQ-HNNXBMFYSA-N 2 1 373.501 0.976 20 0 FCADMP COc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)ccc1OCC(N)=O ZINC001138596200 1222517635 /nfs/dbraw/zinc/51/76/35/1222517635.db2.gz IGOPDCFZRRDCHF-UHFFFAOYSA-N 2 1 364.490 0.629 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C[C@@H]2C(=O)N(C)C ZINC001232018551 1226136267 /nfs/dbraw/zinc/13/62/67/1226136267.db2.gz LSEJVICJDQHOIC-MRXNPFEDSA-N 2 1 355.442 0.931 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000838475421 1222681077 /nfs/dbraw/zinc/68/10/77/1222681077.db2.gz DHYVEQVGEOPWFS-JZXOWHBKSA-N 2 1 368.522 0.726 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(C2CC2)n1 ZINC001277620500 1226141785 /nfs/dbraw/zinc/14/17/85/1226141785.db2.gz JIRUOSJRBBEHFL-LJQANCHMSA-N 2 1 361.490 0.662 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000839609512 1222750784 /nfs/dbraw/zinc/75/07/84/1222750784.db2.gz BZFVNXTZZWCQRU-OAHLLOKOSA-N 2 1 372.510 0.404 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000839609512 1222750789 /nfs/dbraw/zinc/75/07/89/1222750789.db2.gz BZFVNXTZZWCQRU-OAHLLOKOSA-N 2 1 372.510 0.404 20 0 FCADMP NC(=O)C[C@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071973 1222769277 /nfs/dbraw/zinc/76/92/77/1222769277.db2.gz HKOPOQNSSZXTMX-ZACQAIPSSA-N 2 1 370.453 0.258 20 0 FCADMP NC(=O)C[C@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071973 1222769279 /nfs/dbraw/zinc/76/92/79/1222769279.db2.gz HKOPOQNSSZXTMX-ZACQAIPSSA-N 2 1 370.453 0.258 20 0 FCADMP NC(=O)C[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071973 1222769281 /nfs/dbraw/zinc/76/92/81/1222769281.db2.gz HKOPOQNSSZXTMX-ZACQAIPSSA-N 2 1 370.453 0.258 20 0 FCADMP NC(=O)C[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840071973 1222769287 /nfs/dbraw/zinc/76/92/87/1222769287.db2.gz HKOPOQNSSZXTMX-ZACQAIPSSA-N 2 1 370.453 0.258 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841109926 1222808193 /nfs/dbraw/zinc/80/81/93/1222808193.db2.gz OIUKLAYKASSHCH-RHSMWYFYSA-N 2 1 360.458 0.905 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000842162332 1222838133 /nfs/dbraw/zinc/83/81/33/1222838133.db2.gz HRWUCANQKFWHCZ-XJKSGUPXSA-N 2 1 370.457 0.635 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000842195194 1222840099 /nfs/dbraw/zinc/84/00/99/1222840099.db2.gz IRONFKKUWJIIBC-OAHLLOKOSA-N 2 1 359.474 0.804 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C2=O ZINC000842476006 1222847976 /nfs/dbraw/zinc/84/79/76/1222847976.db2.gz DGGMCKLBYHPVJS-YNAXMUEKSA-N 2 1 365.478 0.496 20 0 FCADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843047566 1222857533 /nfs/dbraw/zinc/85/75/33/1222857533.db2.gz WTGOTQBPAQUFDU-MRXNPFEDSA-N 2 1 360.458 0.195 20 0 FCADMP CC(C)N(C(=O)CC[NH+]1CCN(C)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001143224855 1222870864 /nfs/dbraw/zinc/87/08/64/1222870864.db2.gz FMKAFKHOAHNRMI-UHFFFAOYSA-N 2 1 360.506 0.544 20 0 FCADMP CC[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843377731 1222874459 /nfs/dbraw/zinc/87/44/59/1222874459.db2.gz UJUANZVCNVRNRX-KBPBESRZSA-N 2 1 365.478 0.722 20 0 FCADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC(C)([NH+](C)C)C3)cn21 ZINC001150400933 1222901665 /nfs/dbraw/zinc/90/16/65/1222901665.db2.gz LEGMAMVESBUXSO-OAHLLOKOSA-N 2 1 371.489 0.424 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC(C)([NH+](C)C)C3)cn21 ZINC001150400933 1222901670 /nfs/dbraw/zinc/90/16/70/1222901670.db2.gz LEGMAMVESBUXSO-OAHLLOKOSA-N 2 1 371.489 0.424 20 0 FCADMP CCn1cc(CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001153997879 1222998639 /nfs/dbraw/zinc/99/86/39/1222998639.db2.gz BVDZSNODJWAUCJ-JFIYKMOQSA-N 2 1 365.522 0.991 20 0 FCADMP CCn1cc(CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001153997879 1222998644 /nfs/dbraw/zinc/99/86/44/1222998644.db2.gz BVDZSNODJWAUCJ-JFIYKMOQSA-N 2 1 365.522 0.991 20 0 FCADMP CCn1cc(CC[NH+](CC)[C@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001153997879 1222998648 /nfs/dbraw/zinc/99/86/48/1222998648.db2.gz BVDZSNODJWAUCJ-JFIYKMOQSA-N 2 1 365.522 0.991 20 0 FCADMP CCn1cc(CC[NH+](CC)[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001153997879 1222998652 /nfs/dbraw/zinc/99/86/52/1222998652.db2.gz BVDZSNODJWAUCJ-JFIYKMOQSA-N 2 1 365.522 0.991 20 0 FCADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3nc(N4CCOCC4)nc4c3CCN4)C2)C1 ZINC001155373273 1223033883 /nfs/dbraw/zinc/03/38/83/1223033883.db2.gz PPIOGWFXJYWUIW-HNNXBMFYSA-N 2 1 373.505 0.141 20 0 FCADMP [NH3+]C1CCN(c2cccc(NCc3cc(=O)n4c(n3)CNCCC4)[nH+]2)CC1 ZINC001155490517 1223036466 /nfs/dbraw/zinc/03/64/66/1223036466.db2.gz ZPLGEKHIVLIXPY-UHFFFAOYSA-N 2 1 369.473 0.671 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CC(N2CC(F)C2)C1 ZINC001157527313 1223078319 /nfs/dbraw/zinc/07/83/19/1223078319.db2.gz MBSXPLPJOVWZBV-GOSISDBHSA-N 2 1 358.461 0.573 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CC(N2CC(F)C2)C1 ZINC001157527313 1223078321 /nfs/dbraw/zinc/07/83/21/1223078321.db2.gz MBSXPLPJOVWZBV-GOSISDBHSA-N 2 1 358.461 0.573 20 0 FCADMP c1nc(CNc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2n1CCC[NH2+]C2 ZINC001158362163 1223095757 /nfs/dbraw/zinc/09/57/57/1223095757.db2.gz FNHXWERHLJCYTC-UHFFFAOYSA-N 2 1 370.461 0.218 20 0 FCADMP C[N@@H+]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C2(CCCC2)C1 ZINC001158410280 1223096937 /nfs/dbraw/zinc/09/69/37/1223096937.db2.gz PBKXTAOKBLAQGJ-UHFFFAOYSA-N 2 1 358.490 0.981 20 0 FCADMP C[N@H+]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C2(CCCC2)C1 ZINC001158410280 1223096940 /nfs/dbraw/zinc/09/69/40/1223096940.db2.gz PBKXTAOKBLAQGJ-UHFFFAOYSA-N 2 1 358.490 0.981 20 0 FCADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001158428496 1223097481 /nfs/dbraw/zinc/09/74/81/1223097481.db2.gz GPPFYXVPMYESTM-BFHYXJOUSA-N 2 1 369.510 0.435 20 0 FCADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158697583 1223105696 /nfs/dbraw/zinc/10/56/96/1223105696.db2.gz DHXMTCCPWDSQMU-SFHVURJKSA-N 3 1 362.522 0.737 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935332 1223113671 /nfs/dbraw/zinc/11/36/71/1223113671.db2.gz PWNLIUWJROGBNE-IAGOWNOFSA-N 2 1 357.458 0.125 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)C2)C1 ZINC001159125329 1223117681 /nfs/dbraw/zinc/11/76/81/1223117681.db2.gz URTGZSTVIICKDV-TXPKVOOTSA-N 2 1 366.506 0.062 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)C2)C1 ZINC001159125329 1223117683 /nfs/dbraw/zinc/11/76/83/1223117683.db2.gz URTGZSTVIICKDV-TXPKVOOTSA-N 2 1 366.506 0.062 20 0 FCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccc([C@H]([NH3+])CN)cc2)C1 ZINC001159134815 1223118251 /nfs/dbraw/zinc/11/82/51/1223118251.db2.gz PTMXVYMYHNAPSC-RHSMWYFYSA-N 2 1 356.474 0.675 20 0 FCADMP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290944 1223122997 /nfs/dbraw/zinc/12/29/97/1223122997.db2.gz JKSGHPKONLRBNP-SFHVURJKSA-N 2 1 370.497 0.617 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC2 ZINC001159412627 1223126402 /nfs/dbraw/zinc/12/64/02/1223126402.db2.gz WGFXVWXLENSOHS-AEFFLSMTSA-N 2 1 357.502 0.974 20 0 FCADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001159412627 1223126404 /nfs/dbraw/zinc/12/64/04/1223126404.db2.gz WGFXVWXLENSOHS-AEFFLSMTSA-N 2 1 357.502 0.974 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CC2 ZINC001159412627 1223126408 /nfs/dbraw/zinc/12/64/08/1223126408.db2.gz WGFXVWXLENSOHS-AEFFLSMTSA-N 2 1 357.502 0.974 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC[C@@H]21 ZINC001159533387 1223129341 /nfs/dbraw/zinc/12/93/41/1223129341.db2.gz FIEAGJZQHJMCSS-FPSMNIFISA-N 2 1 360.506 0.130 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159585696 1223130293 /nfs/dbraw/zinc/13/02/93/1223130293.db2.gz RSQIYJSQTZOMQY-MRXNPFEDSA-N 2 1 361.490 0.610 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)[C@@H]2C ZINC001159634587 1223131635 /nfs/dbraw/zinc/13/16/35/1223131635.db2.gz ZUHDHWHQTYWVMD-GDBMZVCRSA-N 3 1 360.506 0.436 20 0 FCADMP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856313 1223138118 /nfs/dbraw/zinc/13/81/18/1223138118.db2.gz SWJRGHKOAJHQEU-CGTJXYLNSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856313 1223138122 /nfs/dbraw/zinc/13/81/22/1223138122.db2.gz SWJRGHKOAJHQEU-CGTJXYLNSA-N 2 1 373.432 0.783 20 0 FCADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856313 1223138123 /nfs/dbraw/zinc/13/81/23/1223138123.db2.gz SWJRGHKOAJHQEU-CGTJXYLNSA-N 2 1 373.432 0.783 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159898821 1223139609 /nfs/dbraw/zinc/13/96/09/1223139609.db2.gz ZCBJVXFBKMXAHG-INIZCTEOSA-N 2 1 358.442 0.901 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159898821 1223139610 /nfs/dbraw/zinc/13/96/10/1223139610.db2.gz ZCBJVXFBKMXAHG-INIZCTEOSA-N 2 1 358.442 0.901 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1CN(C(=O)c1cccc(F)c1)C2 ZINC001159967505 1223141269 /nfs/dbraw/zinc/14/12/69/1223141269.db2.gz MSPGEVJUMYXMTE-KDOFPFPSSA-N 2 1 374.460 0.840 20 0 FCADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001160036204 1223143024 /nfs/dbraw/zinc/14/30/24/1223143024.db2.gz PURBNMCUXZZWDB-ZWKOTPCHSA-N 2 1 367.453 0.714 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065504 1223144207 /nfs/dbraw/zinc/14/42/07/1223144207.db2.gz KEXXCCIMJHQNPP-UHFFFAOYSA-N 2 1 352.442 0.914 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086103 1223144776 /nfs/dbraw/zinc/14/47/76/1223144776.db2.gz QVLLBPOQMQDMLS-FXAWDEMLSA-N 2 1 371.485 0.278 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001160175367 1223147910 /nfs/dbraw/zinc/14/79/10/1223147910.db2.gz OBDSJZCOPBQSQG-BMFZPTHFSA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001160175367 1223147913 /nfs/dbraw/zinc/14/79/13/1223147913.db2.gz OBDSJZCOPBQSQG-BMFZPTHFSA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001160175367 1223147917 /nfs/dbraw/zinc/14/79/17/1223147917.db2.gz OBDSJZCOPBQSQG-BMFZPTHFSA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001160175368 1223148406 /nfs/dbraw/zinc/14/84/06/1223148406.db2.gz OBDSJZCOPBQSQG-FVQBIDKESA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001160175368 1223148408 /nfs/dbraw/zinc/14/84/08/1223148408.db2.gz OBDSJZCOPBQSQG-FVQBIDKESA-N 2 1 362.474 0.270 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC[NH+]1C ZINC001160175368 1223148410 /nfs/dbraw/zinc/14/84/10/1223148410.db2.gz OBDSJZCOPBQSQG-FVQBIDKESA-N 2 1 362.474 0.270 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C[C@@H]21 ZINC001160422501 1223159210 /nfs/dbraw/zinc/15/92/10/1223159210.db2.gz HACXNTPTRZZKGT-XFUTXVRSSA-N 2 1 358.486 0.863 20 0 FCADMP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489574 1223162752 /nfs/dbraw/zinc/16/27/52/1223162752.db2.gz DPENYTYKFAELMB-UXHICEINSA-N 2 1 371.529 0.842 20 0 FCADMP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160709653 1223169330 /nfs/dbraw/zinc/16/93/30/1223169330.db2.gz HRMITOHLYKRTHZ-RXVVDRJESA-N 2 1 354.498 0.987 20 0 FCADMP O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160839952 1223176909 /nfs/dbraw/zinc/17/69/09/1223176909.db2.gz RUAZGCLACORHBS-GJZGRUSLSA-N 2 1 362.453 0.673 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(C)C ZINC001160857926 1223177935 /nfs/dbraw/zinc/17/79/35/1223177935.db2.gz SCDMABZCAKGGNQ-BRWVUGGUSA-N 2 1 370.538 0.835 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(C)C ZINC001160857926 1223177938 /nfs/dbraw/zinc/17/79/38/1223177938.db2.gz SCDMABZCAKGGNQ-BRWVUGGUSA-N 2 1 370.538 0.835 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001160857523 1223178230 /nfs/dbraw/zinc/17/82/30/1223178230.db2.gz IUTGGEIIDOKEKS-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N1CCC(C)CC1 ZINC001160857523 1223178234 /nfs/dbraw/zinc/17/82/34/1223178234.db2.gz IUTGGEIIDOKEKS-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccc3c(c2)OCCO3)O1 ZINC001160862456 1223178869 /nfs/dbraw/zinc/17/88/69/1223178869.db2.gz QDIDOQXJGXQXQW-RDTXWAMCSA-N 2 1 363.458 0.773 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccc3c(c2)OCCO3)O1 ZINC001160862456 1223178874 /nfs/dbraw/zinc/17/88/74/1223178874.db2.gz QDIDOQXJGXQXQW-RDTXWAMCSA-N 2 1 363.458 0.773 20 0 FCADMP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198420 1223189431 /nfs/dbraw/zinc/18/94/31/1223189431.db2.gz QODTYEWHQVWGMG-QZTJIDSGSA-N 3 1 370.513 0.485 20 0 FCADMP N[C@H](CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1)C(=O)OCc1ccccc1 ZINC001161379390 1223197110 /nfs/dbraw/zinc/19/71/10/1223197110.db2.gz OMTWYEWKVRPJST-QZTJIDSGSA-N 2 1 374.485 0.471 20 0 FCADMP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423875 1223199222 /nfs/dbraw/zinc/19/92/22/1223199222.db2.gz RBULHNYHGHCSKA-YOEHRIQHSA-N 2 1 355.442 0.070 20 0 FCADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161445050 1223199607 /nfs/dbraw/zinc/19/96/07/1223199607.db2.gz MOGBBDTWSSFZJA-PKOBYXMFSA-N 4 1 365.566 0.593 20 0 FCADMP CO[C@@H]1CN(C(=O)CC[C@H]([NH3+])C(=O)OC(C)(C)c2ccccc2)C[C@@H]1[NH3+] ZINC001161493287 1223202748 /nfs/dbraw/zinc/20/27/48/1223202748.db2.gz JHMAWOWADKPLAS-HRCADAONSA-N 2 1 363.458 0.757 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)CCn3cnccc3=O)CC2)CC1 ZINC001162190939 1223211591 /nfs/dbraw/zinc/21/15/91/1223211591.db2.gz ICERLUFKDXFZKF-UHFFFAOYSA-N 2 1 361.490 0.652 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283344 1223212537 /nfs/dbraw/zinc/21/25/37/1223212537.db2.gz XQXPHTYJWKKAOZ-OAGGEKHMSA-N 2 1 368.522 0.435 20 0 FCADMP N[C@@H]1NCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2NCN[C@H]21 ZINC001162437284 1223215958 /nfs/dbraw/zinc/21/59/58/1223215958.db2.gz BENUJVVYYDKBKW-XUVXKRRUSA-N 2 1 365.485 0.137 20 0 FCADMP c1cc2c(nc(N3CCOCC3)[nH+]c2NCc2nnn3c2C[NH2+]CCC3)[nH]1 ZINC001162972473 1223222606 /nfs/dbraw/zinc/22/26/06/1223222606.db2.gz FMJPJIYUFXHXHY-UHFFFAOYSA-N 2 1 369.433 0.491 20 0 FCADMP C[NH+]1CCN(C(=O)c2cccc(NCc3nnn4c3C[NH2+]CCC4)c2)CC1 ZINC001162980270 1223223601 /nfs/dbraw/zinc/22/36/01/1223223601.db2.gz XIAXWXLEYJAMQR-UHFFFAOYSA-N 2 1 369.473 0.771 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N[C@@]23CC[NH2+][C@H]2CC(=O)N3)CC1 ZINC001163240223 1223228230 /nfs/dbraw/zinc/22/82/30/1223228230.db2.gz UKXIAUUWEMTERR-KXBFYZLASA-N 2 1 367.457 0.372 20 0 FCADMP [NH3+]CCCC[C@H](Nc1cc[nH+]c(N2CCOCC2)n1)C(=O)N1CCCC1 ZINC001163456607 1223230460 /nfs/dbraw/zinc/23/04/60/1223230460.db2.gz GVNIXZDLKSDELI-HNNXBMFYSA-N 2 1 362.478 0.845 20 0 FCADMP CN(c1nnnn1C)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cn1 ZINC001164217153 1223236299 /nfs/dbraw/zinc/23/62/99/1223236299.db2.gz QSJNCRQOJIUGOB-UHFFFAOYSA-N 2 1 359.482 0.811 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001164578741 1223240154 /nfs/dbraw/zinc/24/01/54/1223240154.db2.gz PNMOUKXASKSJHP-UONOGXRCSA-N 2 1 367.494 0.048 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164575787 1223240277 /nfs/dbraw/zinc/24/02/77/1223240277.db2.gz HLAHDXZXJNWPMN-BFHYXJOUSA-N 2 1 367.494 0.047 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)CC1 ZINC001165084255 1223241910 /nfs/dbraw/zinc/24/19/10/1223241910.db2.gz BLWQVTUPNFAMSQ-UHFFFAOYSA-N 2 1 372.517 0.934 20 0 FCADMP CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001165727514 1223254904 /nfs/dbraw/zinc/25/49/04/1223254904.db2.gz BYYFGZRZFBAJNR-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001165727514 1223254907 /nfs/dbraw/zinc/25/49/07/1223254907.db2.gz BYYFGZRZFBAJNR-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C1C[NH2+][C@@H](C2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C1 ZINC001166899768 1223288429 /nfs/dbraw/zinc/28/84/29/1223288429.db2.gz DAGUEKRAZMQPNR-MRXNPFEDSA-N 2 1 358.490 0.885 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001204581090 1223304723 /nfs/dbraw/zinc/30/47/23/1223304723.db2.gz ZFZJVWGIRCAXLF-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001204581090 1223304724 /nfs/dbraw/zinc/30/47/24/1223304724.db2.gz ZFZJVWGIRCAXLF-UHFFFAOYSA-N 2 1 355.490 0.871 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCCO)C2)C1 ZINC001205584319 1223332260 /nfs/dbraw/zinc/33/22/60/1223332260.db2.gz PQBRHMDZXDKASL-JQHSSLGASA-N 2 1 365.449 0.423 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCCO)C2)C1 ZINC001205584319 1223332264 /nfs/dbraw/zinc/33/22/64/1223332264.db2.gz PQBRHMDZXDKASL-JQHSSLGASA-N 2 1 365.449 0.423 20 0 FCADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001205681877 1223334912 /nfs/dbraw/zinc/33/49/12/1223334912.db2.gz NWMMXWCPGBOKHU-LJQANCHMSA-N 3 1 358.490 0.872 20 0 FCADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001205681877 1223334918 /nfs/dbraw/zinc/33/49/18/1223334918.db2.gz NWMMXWCPGBOKHU-LJQANCHMSA-N 3 1 358.490 0.872 20 0 FCADMP COc1ncc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001206387148 1223358059 /nfs/dbraw/zinc/35/80/59/1223358059.db2.gz NZHMGONWRVWZGK-UHFFFAOYSA-N 2 1 357.458 0.809 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337670 1223438156 /nfs/dbraw/zinc/43/81/56/1223438156.db2.gz UIXPDAFRFUDYKU-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337670 1223438163 /nfs/dbraw/zinc/43/81/63/1223438163.db2.gz UIXPDAFRFUDYKU-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001207337670 1223438166 /nfs/dbraw/zinc/43/81/66/1223438166.db2.gz UIXPDAFRFUDYKU-KBAYOESNSA-N 2 1 368.522 0.450 20 0 FCADMP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207437174 1223446680 /nfs/dbraw/zinc/44/66/80/1223446680.db2.gz PSPGUGVERRFWHA-UHFFFAOYSA-N 2 1 371.489 0.404 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435676 1223447063 /nfs/dbraw/zinc/44/70/63/1223447063.db2.gz SSSFGVGIXKRKLE-IBGZPJMESA-N 2 1 374.489 0.059 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547035 1223454182 /nfs/dbraw/zinc/45/41/82/1223454182.db2.gz ITAPKNWUGZIALB-NXHRZFHOSA-N 2 1 363.506 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547035 1223454184 /nfs/dbraw/zinc/45/41/84/1223454184.db2.gz ITAPKNWUGZIALB-NXHRZFHOSA-N 2 1 363.506 0.676 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563304 1223457030 /nfs/dbraw/zinc/45/70/30/1223457030.db2.gz OIRQNHQPHHXFOY-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563304 1223457034 /nfs/dbraw/zinc/45/70/34/1223457034.db2.gz OIRQNHQPHHXFOY-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563304 1223457038 /nfs/dbraw/zinc/45/70/38/1223457038.db2.gz OIRQNHQPHHXFOY-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP COCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563304 1223457042 /nfs/dbraw/zinc/45/70/42/1223457042.db2.gz OIRQNHQPHHXFOY-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C)[NH+](C)C ZINC001207697776 1223471769 /nfs/dbraw/zinc/47/17/69/1223471769.db2.gz KFUOFUVLGKQOGM-MGPQQGTHSA-N 2 1 367.494 0.094 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706138 1223472762 /nfs/dbraw/zinc/47/27/62/1223472762.db2.gz PMJUVMRMIUCAPT-OAGGEKHMSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705880 1223473015 /nfs/dbraw/zinc/47/30/15/1223473015.db2.gz LCKYFGPJABVWMX-IAGOWNOFSA-N 2 1 363.506 0.678 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001207750321 1223476524 /nfs/dbraw/zinc/47/65/24/1223476524.db2.gz PZSYALAHTNWNKD-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001207750321 1223476526 /nfs/dbraw/zinc/47/65/26/1223476526.db2.gz PZSYALAHTNWNKD-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001207750321 1223476528 /nfs/dbraw/zinc/47/65/28/1223476528.db2.gz PZSYALAHTNWNKD-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC001207750321 1223476530 /nfs/dbraw/zinc/47/65/30/1223476530.db2.gz PZSYALAHTNWNKD-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859614 1223487112 /nfs/dbraw/zinc/48/71/12/1223487112.db2.gz VJHSQHNWDZJKGV-HZPDHXFCSA-N 2 1 365.522 0.759 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859614 1223487117 /nfs/dbraw/zinc/48/71/17/1223487117.db2.gz VJHSQHNWDZJKGV-HZPDHXFCSA-N 2 1 365.522 0.759 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441335 1223546267 /nfs/dbraw/zinc/54/62/67/1223546267.db2.gz FUJKZECKGKUQAV-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441335 1223546268 /nfs/dbraw/zinc/54/62/68/1223546268.db2.gz FUJKZECKGKUQAV-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441716 1223546292 /nfs/dbraw/zinc/54/62/92/1223546292.db2.gz NONDYVXEEUPBJO-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441716 1223546293 /nfs/dbraw/zinc/54/62/93/1223546293.db2.gz NONDYVXEEUPBJO-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208574677 1223558731 /nfs/dbraw/zinc/55/87/31/1223558731.db2.gz FAUYTZFPRXDPQR-KFWWJZLASA-N 2 1 367.494 0.095 20 0 FCADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613803 1223564018 /nfs/dbraw/zinc/56/40/18/1223564018.db2.gz QHXDQCIJPIBCLV-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613803 1223564020 /nfs/dbraw/zinc/56/40/20/1223564020.db2.gz QHXDQCIJPIBCLV-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613803 1223564021 /nfs/dbraw/zinc/56/40/21/1223564021.db2.gz QHXDQCIJPIBCLV-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)C1 ZINC001208613803 1223564024 /nfs/dbraw/zinc/56/40/24/1223564024.db2.gz QHXDQCIJPIBCLV-VUHPKUFZSA-N 2 1 373.501 0.885 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001208628382 1223564915 /nfs/dbraw/zinc/56/49/15/1223564915.db2.gz GGDHLIAIPFHGFC-FRFSOERESA-N 2 1 361.490 0.669 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208676926 1223569110 /nfs/dbraw/zinc/56/91/10/1223569110.db2.gz SHQNDLYKUAYSBQ-IEBWSBKVSA-N 2 1 370.501 0.889 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208676926 1223569115 /nfs/dbraw/zinc/56/91/15/1223569115.db2.gz SHQNDLYKUAYSBQ-IEBWSBKVSA-N 2 1 370.501 0.889 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001208676926 1223569122 /nfs/dbraw/zinc/56/91/22/1223569122.db2.gz SHQNDLYKUAYSBQ-IEBWSBKVSA-N 2 1 370.501 0.889 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001208676926 1223569128 /nfs/dbraw/zinc/56/91/28/1223569128.db2.gz SHQNDLYKUAYSBQ-IEBWSBKVSA-N 2 1 370.501 0.889 20 0 FCADMP CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276630204 1223608946 /nfs/dbraw/zinc/60/89/46/1223608946.db2.gz MGLRCGRLTSTMKL-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP CN1CCN(CCC[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)CC1 ZINC001276630417 1223609560 /nfs/dbraw/zinc/60/95/60/1223609560.db2.gz UPKBCJFXMJAAPO-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515306 1223627073 /nfs/dbraw/zinc/62/70/73/1223627073.db2.gz UXWCIIMTVSZOHZ-FGTMMUONSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515306 1223627075 /nfs/dbraw/zinc/62/70/75/1223627075.db2.gz UXWCIIMTVSZOHZ-FGTMMUONSA-N 2 1 371.522 0.179 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CC(=O)N3CCOCC3)CC2)C1=O ZINC001276675518 1223657484 /nfs/dbraw/zinc/65/74/84/1223657484.db2.gz BIJFUPOZYKCDSF-LJQANCHMSA-N 2 1 366.506 0.111 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210041529 1223662956 /nfs/dbraw/zinc/66/29/56/1223662956.db2.gz SPXPPUQXATUDKQ-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210041529 1223662963 /nfs/dbraw/zinc/66/29/63/1223662963.db2.gz SPXPPUQXATUDKQ-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210041529 1223662964 /nfs/dbraw/zinc/66/29/64/1223662964.db2.gz SPXPPUQXATUDKQ-JFIYKMOQSA-N 2 1 367.490 0.935 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210051762 1223663233 /nfs/dbraw/zinc/66/32/33/1223663233.db2.gz UGHNKIFTRKTPDN-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210051762 1223663237 /nfs/dbraw/zinc/66/32/37/1223663237.db2.gz UGHNKIFTRKTPDN-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210051762 1223663241 /nfs/dbraw/zinc/66/32/41/1223663241.db2.gz UGHNKIFTRKTPDN-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210051762 1223663244 /nfs/dbraw/zinc/66/32/44/1223663244.db2.gz UGHNKIFTRKTPDN-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210051762 1223663250 /nfs/dbraw/zinc/66/32/50/1223663250.db2.gz UGHNKIFTRKTPDN-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210528798 1223695487 /nfs/dbraw/zinc/69/54/87/1223695487.db2.gz HUAUDTPPUHKVGE-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210528798 1223695488 /nfs/dbraw/zinc/69/54/88/1223695488.db2.gz HUAUDTPPUHKVGE-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210528798 1223695489 /nfs/dbraw/zinc/69/54/89/1223695489.db2.gz HUAUDTPPUHKVGE-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276693908 1223723387 /nfs/dbraw/zinc/72/33/87/1223723387.db2.gz OUMQNBBOJVPQKE-YJBOKZPZSA-N 2 1 362.430 0.177 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213223844 1223771795 /nfs/dbraw/zinc/77/17/95/1223771795.db2.gz BPOMTWHXXBEYKR-ARFHVFGLSA-N 2 1 368.522 0.543 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213223844 1223771799 /nfs/dbraw/zinc/77/17/99/1223771799.db2.gz BPOMTWHXXBEYKR-ARFHVFGLSA-N 2 1 368.522 0.543 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434404 1223798126 /nfs/dbraw/zinc/79/81/26/1223798126.db2.gz AOPLXIUZLNHDEA-FGTMMUONSA-N 2 1 365.522 0.898 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434404 1223798129 /nfs/dbraw/zinc/79/81/29/1223798129.db2.gz AOPLXIUZLNHDEA-FGTMMUONSA-N 2 1 365.522 0.898 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC)[NH+](CC)CC ZINC001213434438 1223798249 /nfs/dbraw/zinc/79/82/49/1223798249.db2.gz BUJQOISSJPWJAA-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC)[NH+](CC)CC ZINC001213434438 1223798250 /nfs/dbraw/zinc/79/82/50/1223798250.db2.gz BUJQOISSJPWJAA-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446642 1223800205 /nfs/dbraw/zinc/80/02/05/1223800205.db2.gz PMVMHBWNZKEHQB-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446642 1223800206 /nfs/dbraw/zinc/80/02/06/1223800206.db2.gz PMVMHBWNZKEHQB-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446642 1223800207 /nfs/dbraw/zinc/80/02/07/1223800207.db2.gz PMVMHBWNZKEHQB-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446642 1223800209 /nfs/dbraw/zinc/80/02/09/1223800209.db2.gz PMVMHBWNZKEHQB-IAGOWNOFSA-N 2 1 365.522 0.756 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC)[NH+](C)C ZINC001213455705 1223801287 /nfs/dbraw/zinc/80/12/87/1223801287.db2.gz JYBQTNHPKLAPIA-IXDOHACOSA-N 2 1 362.474 0.441 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC)[NH+](C)C ZINC001213455705 1223801288 /nfs/dbraw/zinc/80/12/88/1223801288.db2.gz JYBQTNHPKLAPIA-IXDOHACOSA-N 2 1 362.474 0.441 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522569 1223809410 /nfs/dbraw/zinc/80/94/10/1223809410.db2.gz FDSNGQSFOWVTKL-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213522569 1223809411 /nfs/dbraw/zinc/80/94/11/1223809411.db2.gz FDSNGQSFOWVTKL-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526835 1223810064 /nfs/dbraw/zinc/81/00/64/1223810064.db2.gz XCWDZGPFHGVDLT-IXDOHACOSA-N 2 1 368.522 0.578 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526835 1223810065 /nfs/dbraw/zinc/81/00/65/1223810065.db2.gz XCWDZGPFHGVDLT-IXDOHACOSA-N 2 1 368.522 0.578 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578290 1223816981 /nfs/dbraw/zinc/81/69/81/1223816981.db2.gz KZQBZSSKDGDRCI-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578290 1223816984 /nfs/dbraw/zinc/81/69/84/1223816984.db2.gz KZQBZSSKDGDRCI-RTBURBONSA-N 2 1 361.486 0.767 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213598210 1223820628 /nfs/dbraw/zinc/82/06/28/1223820628.db2.gz CJOOCTKILRSKAO-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213598210 1223820630 /nfs/dbraw/zinc/82/06/30/1223820630.db2.gz CJOOCTKILRSKAO-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638330 1223826019 /nfs/dbraw/zinc/82/60/19/1223826019.db2.gz JCGHPXJWSPPXNG-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759480 1223845555 /nfs/dbraw/zinc/84/55/55/1223845555.db2.gz NIKOFNXSYMORNY-DJIMGWMZSA-N 2 1 370.538 0.837 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213765000 1223845883 /nfs/dbraw/zinc/84/58/83/1223845883.db2.gz ONNNQOOGEYPLDL-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213765000 1223845885 /nfs/dbraw/zinc/84/58/85/1223845885.db2.gz ONNNQOOGEYPLDL-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213765000 1223845886 /nfs/dbraw/zinc/84/58/86/1223845886.db2.gz ONNNQOOGEYPLDL-KZNAEPCWSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859543 1223862591 /nfs/dbraw/zinc/86/25/91/1223862591.db2.gz FMRWQHIJFSLPTJ-GVDBMIGSSA-N 2 1 368.478 0.040 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859543 1223862592 /nfs/dbraw/zinc/86/25/92/1223862592.db2.gz FMRWQHIJFSLPTJ-GVDBMIGSSA-N 2 1 368.478 0.040 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929589 1223874355 /nfs/dbraw/zinc/87/43/55/1223874355.db2.gz CSOPABVBNNETAO-IAGOWNOFSA-N 2 1 361.446 0.878 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929589 1223874357 /nfs/dbraw/zinc/87/43/57/1223874357.db2.gz CSOPABVBNNETAO-IAGOWNOFSA-N 2 1 361.446 0.878 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929589 1223874358 /nfs/dbraw/zinc/87/43/58/1223874358.db2.gz CSOPABVBNNETAO-IAGOWNOFSA-N 2 1 361.446 0.878 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929589 1223874361 /nfs/dbraw/zinc/87/43/61/1223874361.db2.gz CSOPABVBNNETAO-IAGOWNOFSA-N 2 1 361.446 0.878 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927377 1223874575 /nfs/dbraw/zinc/87/45/75/1223874575.db2.gz GJAKHUONUYWSJD-IAGOWNOFSA-N 2 1 363.506 0.803 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927377 1223874576 /nfs/dbraw/zinc/87/45/76/1223874576.db2.gz GJAKHUONUYWSJD-IAGOWNOFSA-N 2 1 363.506 0.803 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927377 1223874579 /nfs/dbraw/zinc/87/45/79/1223874579.db2.gz GJAKHUONUYWSJD-IAGOWNOFSA-N 2 1 363.506 0.803 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927377 1223874581 /nfs/dbraw/zinc/87/45/81/1223874581.db2.gz GJAKHUONUYWSJD-IAGOWNOFSA-N 2 1 363.506 0.803 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974032 1223879927 /nfs/dbraw/zinc/87/99/27/1223879927.db2.gz DZDHLZGPIOWEEY-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974032 1223879929 /nfs/dbraw/zinc/87/99/29/1223879929.db2.gz DZDHLZGPIOWEEY-GVDBMIGSSA-N 2 1 368.522 0.545 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)n(C)n1 ZINC001214337698 1223901976 /nfs/dbraw/zinc/90/19/76/1223901976.db2.gz AMWDFYKHXBUVGP-YUELXQCFSA-N 2 1 362.478 0.198 20 0 FCADMP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335894 1223902056 /nfs/dbraw/zinc/90/20/56/1223902056.db2.gz LZJXLGYFIVUELY-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214343726 1223902534 /nfs/dbraw/zinc/90/25/34/1223902534.db2.gz DUFMOWFLNQMHLI-DJIMGWMZSA-N 2 1 359.474 0.229 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001214850307 1223948167 /nfs/dbraw/zinc/94/81/67/1223948167.db2.gz SBYQLTJWVAGOOC-BPQIPLTHSA-N 2 1 364.534 0.927 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001215155975 1223978954 /nfs/dbraw/zinc/97/89/54/1223978954.db2.gz SBXXMLQQXJXJGG-CZUORRHYSA-N 2 1 359.430 0.537 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001215155771 1223979181 /nfs/dbraw/zinc/97/91/81/1223979181.db2.gz JATQKQLZBPRRQY-RHSMWYFYSA-N 2 1 370.457 0.339 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397124 1223996467 /nfs/dbraw/zinc/99/64/67/1223996467.db2.gz UTALHLCNGKPEIC-LTIDMASMSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001215415672 1223998423 /nfs/dbraw/zinc/99/84/23/1223998423.db2.gz GRLAMYGEQQDLMM-VNHYZAJKSA-N 2 1 361.494 0.847 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001215540985 1224005303 /nfs/dbraw/zinc/00/53/03/1224005303.db2.gz UBBXQLUMKDZUNZ-RBSFLKMASA-N 2 1 360.462 0.193 20 0 FCADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C)C(N)=O ZINC001215558698 1224006365 /nfs/dbraw/zinc/00/63/65/1224006365.db2.gz YSTVIQGZAXWIEM-KBAYOESNSA-N 2 1 360.502 0.861 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215563233 1224006573 /nfs/dbraw/zinc/00/65/73/1224006573.db2.gz CDDBJGGQNNCQAA-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@H]2C)[nH]1 ZINC001215599122 1224008847 /nfs/dbraw/zinc/00/88/47/1224008847.db2.gz RTIZSEMLZPUZQU-IJEWVQPXSA-N 2 1 364.494 0.551 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929900 1224025079 /nfs/dbraw/zinc/02/50/79/1224025079.db2.gz KUIFWHJJBSMZMC-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934075 1224025137 /nfs/dbraw/zinc/02/51/37/1224025137.db2.gz FKWSMJGDOCNCRV-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216212812 1224039079 /nfs/dbraw/zinc/03/90/79/1224039079.db2.gz FGQDYPRDWQHSBC-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216382800 1224047445 /nfs/dbraw/zinc/04/74/45/1224047445.db2.gz CWCDCMGZWBCTDG-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216383812 1224047965 /nfs/dbraw/zinc/04/79/65/1224047965.db2.gz QGARHMYUOQZQMP-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216511159 1224053904 /nfs/dbraw/zinc/05/39/04/1224053904.db2.gz KQGOMRVFAPPZAS-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001216801245 1224073616 /nfs/dbraw/zinc/07/36/16/1224073616.db2.gz KLAYSJQCXMHUBO-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001216801245 1224073618 /nfs/dbraw/zinc/07/36/18/1224073618.db2.gz KLAYSJQCXMHUBO-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000992407452 1249363763 /nfs/dbraw/zinc/36/37/63/1249363763.db2.gz OOEJHYUIGSJSTR-GOEBONIOSA-N 2 1 363.462 0.407 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000992407452 1249363771 /nfs/dbraw/zinc/36/37/71/1249363771.db2.gz OOEJHYUIGSJSTR-GOEBONIOSA-N 2 1 363.462 0.407 20 0 FCADMP COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849101430 1245392864 /nfs/dbraw/zinc/39/28/64/1245392864.db2.gz XNFMFJVQQZUDLT-KRWDZBQOSA-N 2 1 366.462 0.573 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884369981 1245441557 /nfs/dbraw/zinc/44/15/57/1245441557.db2.gz VSLKTRGIHZUGEP-UHFFFAOYSA-N 2 1 361.490 0.674 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@@H]21 ZINC000911517268 1245505097 /nfs/dbraw/zinc/50/50/97/1245505097.db2.gz QZIANCLOUSRWMT-XOYOTBSWSA-N 2 1 356.470 0.670 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000915542803 1245523745 /nfs/dbraw/zinc/52/37/45/1245523745.db2.gz QBQIJSVCQJUZSU-UHFFFAOYSA-N 2 1 360.506 0.987 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000917816708 1245560253 /nfs/dbraw/zinc/56/02/53/1245560253.db2.gz YZOHLMKWYRKKHN-UHFFFAOYSA-N 2 1 362.478 0.499 20 0 FCADMP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000921685672 1245647061 /nfs/dbraw/zinc/64/70/61/1245647061.db2.gz XLHNAOIFWBZVQG-OAHLLOKOSA-N 2 1 363.458 0.881 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000922912433 1245692472 /nfs/dbraw/zinc/69/24/72/1245692472.db2.gz XWVHVRKZLMBPRZ-GOSISDBHSA-N 2 1 373.501 0.887 20 0 FCADMP COc1cccc(CC(=O)N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923310192 1245707241 /nfs/dbraw/zinc/70/72/41/1245707241.db2.gz YUXUXWNXEFPLDJ-GOSISDBHSA-N 2 1 359.470 0.760 20 0 FCADMP CC1CCC(NC(=O)CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1 ZINC000923322889 1245708601 /nfs/dbraw/zinc/70/86/01/1245708601.db2.gz BMOPNSZOAJURSM-DAWZGUTISA-N 2 1 364.534 0.677 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366862 1245713260 /nfs/dbraw/zinc/71/32/60/1245713260.db2.gz PLPMKRFITBULOU-QZTJIDSGSA-N 2 1 362.474 0.364 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC4CCOCC4)C3)CC2)CC[N@H+]1C ZINC000941412822 1246608227 /nfs/dbraw/zinc/60/82/27/1246608227.db2.gz MANAFQSILVPHQR-VQIMIIECSA-N 2 1 364.534 0.582 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC000942132788 1246993808 /nfs/dbraw/zinc/99/38/08/1246993808.db2.gz DXJFNOFBUNQSDB-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552827 1247128435 /nfs/dbraw/zinc/12/84/35/1247128435.db2.gz NJVPCCCNVMXKIU-MWQQHZPXSA-N 2 1 366.506 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000943385401 1247315024 /nfs/dbraw/zinc/31/50/24/1247315024.db2.gz SVCDNEFCEJUHBA-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C[NH+]2CCCC2)CC3)CC[N@H+]1C ZINC000944940481 1247686201 /nfs/dbraw/zinc/68/62/01/1247686201.db2.gz KFKLBMBWZSVOSQ-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnnn4C)C[C@H]3CC2)CC[N@H+]1C ZINC000946595171 1247908561 /nfs/dbraw/zinc/90/85/61/1247908561.db2.gz LVGZKEBDZCQUEM-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946595171 1247908573 /nfs/dbraw/zinc/90/85/73/1247908573.db2.gz LVGZKEBDZCQUEM-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]3CC2)CC[NH+]1C ZINC000946595171 1247908583 /nfs/dbraw/zinc/90/85/83/1247908583.db2.gz LVGZKEBDZCQUEM-XLMAVXFVSA-N 2 1 360.506 0.826 20 0 FCADMP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000946775130 1248006941 /nfs/dbraw/zinc/00/69/41/1248006941.db2.gz CJSCJEKWCQXDDL-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C ZINC000976542230 1248233010 /nfs/dbraw/zinc/23/30/10/1248233010.db2.gz NSUAAHQTRWNVKB-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C ZINC000976542230 1248233021 /nfs/dbraw/zinc/23/30/21/1248233021.db2.gz NSUAAHQTRWNVKB-ZNFSNMQZSA-N 2 1 359.474 0.495 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@]45CC[NH+](C4)CCC5)C[C@H]32)CC[N@H+]1C ZINC000976595577 1248269527 /nfs/dbraw/zinc/26/95/27/1248269527.db2.gz NKGHPVJAZKJULH-PEUATVKMSA-N 2 1 360.502 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@]45CC[N@H+](C4)CCC5)C[C@H]32)CC[NH+]1C ZINC000976595577 1248269537 /nfs/dbraw/zinc/26/95/37/1248269537.db2.gz NKGHPVJAZKJULH-PEUATVKMSA-N 2 1 360.502 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@]45CC[N@@H+](C4)CCC5)C[C@H]32)CC[NH+]1C ZINC000976595577 1248269550 /nfs/dbraw/zinc/26/95/50/1248269550.db2.gz NKGHPVJAZKJULH-PEUATVKMSA-N 2 1 360.502 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)CC[N@H+]1C ZINC000976601033 1248279806 /nfs/dbraw/zinc/27/98/06/1248279806.db2.gz PQSGDFIJRQELLZ-RXYDEIHYSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC000976608755 1248289689 /nfs/dbraw/zinc/28/96/89/1248289689.db2.gz LWGWBRJQGZDZGO-DOEOUOAPSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC000976608755 1248289696 /nfs/dbraw/zinc/28/96/96/1248289696.db2.gz LWGWBRJQGZDZGO-DOEOUOAPSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)CC[NH+]1C ZINC000976608755 1248289702 /nfs/dbraw/zinc/28/97/02/1248289702.db2.gz LWGWBRJQGZDZGO-DOEOUOAPSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000976793730 1248403331 /nfs/dbraw/zinc/40/33/31/1248403331.db2.gz PALDJBOGOCXQME-PVWHLQNVSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000976793730 1248403336 /nfs/dbraw/zinc/40/33/36/1248403336.db2.gz PALDJBOGOCXQME-PVWHLQNVSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000976793730 1248403351 /nfs/dbraw/zinc/40/33/51/1248403351.db2.gz PALDJBOGOCXQME-PVWHLQNVSA-N 2 1 362.518 0.774 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995824261 1250994849 /nfs/dbraw/zinc/99/48/49/1250994849.db2.gz HKZYUDQTRFKANM-RBSFLKMASA-N 2 1 363.510 0.921 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995824261 1250994856 /nfs/dbraw/zinc/99/48/56/1250994856.db2.gz HKZYUDQTRFKANM-RBSFLKMASA-N 2 1 363.510 0.921 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)O1 ZINC000995955272 1251089858 /nfs/dbraw/zinc/08/98/58/1251089858.db2.gz DJXFKCWIBLETJM-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCCC3=O)C(C)(C)C2)O1 ZINC000995955272 1251089869 /nfs/dbraw/zinc/08/98/69/1251089869.db2.gz DJXFKCWIBLETJM-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP COC[C@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001328485185 1265559413 /nfs/dbraw/zinc/55/94/13/1265559413.db2.gz GAJXVQCHXABZJN-BRWVUGGUSA-N 2 1 369.506 0.027 20 0 FCADMP COC[C@H](O)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001328485185 1265559422 /nfs/dbraw/zinc/55/94/22/1265559422.db2.gz GAJXVQCHXABZJN-BRWVUGGUSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C1CC1 ZINC000996608194 1251403862 /nfs/dbraw/zinc/40/38/62/1251403862.db2.gz RCABRBONYMWHNJ-XJKCOSOUSA-N 2 1 361.494 0.990 20 0 FCADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1C ZINC000996710289 1251420548 /nfs/dbraw/zinc/42/05/48/1251420548.db2.gz BWVFJHFUSLBTME-UKRRQHHQSA-N 2 1 364.494 0.177 20 0 FCADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1C ZINC000996710289 1251420560 /nfs/dbraw/zinc/42/05/60/1251420560.db2.gz BWVFJHFUSLBTME-UKRRQHHQSA-N 2 1 364.494 0.177 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996713483 1251422050 /nfs/dbraw/zinc/42/20/50/1251422050.db2.gz VJWWQEQCOXETEZ-CXAGYDPISA-N 2 1 364.494 0.406 20 0 FCADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996713483 1251422056 /nfs/dbraw/zinc/42/20/56/1251422056.db2.gz VJWWQEQCOXETEZ-CXAGYDPISA-N 2 1 364.494 0.406 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC000997794281 1251711265 /nfs/dbraw/zinc/71/12/65/1251711265.db2.gz YVIKJMBQNGPQNJ-VNQPRFMTSA-N 2 1 363.510 0.830 20 0 FCADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997854603 1251728070 /nfs/dbraw/zinc/72/80/70/1251728070.db2.gz GWCFVAXAJTWJNH-NVXWUHKLSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997854603 1251728072 /nfs/dbraw/zinc/72/80/72/1251728072.db2.gz GWCFVAXAJTWJNH-NVXWUHKLSA-N 2 1 363.506 0.950 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000998048795 1251767514 /nfs/dbraw/zinc/76/75/14/1251767514.db2.gz XDAYAGKHTOGRBO-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000998048795 1251767522 /nfs/dbraw/zinc/76/75/22/1251767522.db2.gz XDAYAGKHTOGRBO-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000998048795 1251767532 /nfs/dbraw/zinc/76/75/32/1251767532.db2.gz XDAYAGKHTOGRBO-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000998048795 1251767538 /nfs/dbraw/zinc/76/75/38/1251767538.db2.gz XDAYAGKHTOGRBO-IXDOHACOSA-N 2 1 368.522 0.497 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000998061021 1251770829 /nfs/dbraw/zinc/77/08/29/1251770829.db2.gz YSEZTPAWOQZXJB-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000998061021 1251770831 /nfs/dbraw/zinc/77/08/31/1251770831.db2.gz YSEZTPAWOQZXJB-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000998061021 1251770834 /nfs/dbraw/zinc/77/08/34/1251770834.db2.gz YSEZTPAWOQZXJB-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000998061021 1251770836 /nfs/dbraw/zinc/77/08/36/1251770836.db2.gz YSEZTPAWOQZXJB-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1cncn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000998470273 1251888946 /nfs/dbraw/zinc/88/89/46/1251888946.db2.gz ZLLJNMMHWPCZRL-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000998470273 1251888962 /nfs/dbraw/zinc/88/89/62/1251888962.db2.gz ZLLJNMMHWPCZRL-SIXLDLHFSA-N 2 1 359.474 0.781 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998559020 1251910929 /nfs/dbraw/zinc/91/09/29/1251910929.db2.gz KTURLZZXTPJBGU-LTIDMASMSA-N 2 1 360.502 0.957 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000999711456 1252176524 /nfs/dbraw/zinc/17/65/24/1252176524.db2.gz LJIIHKHFZUUOEH-MHORFTMASA-N 2 1 362.518 0.918 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)C2 ZINC000999891631 1252223384 /nfs/dbraw/zinc/22/33/84/1252223384.db2.gz NYPJWHMOBLSWKB-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)C2 ZINC000999891631 1252223388 /nfs/dbraw/zinc/22/33/88/1252223388.db2.gz NYPJWHMOBLSWKB-SUYBPPKGSA-N 2 1 359.474 0.421 20 0 FCADMP CCCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990254 1252262110 /nfs/dbraw/zinc/26/21/10/1252262110.db2.gz HJYWNXFNMPFZGR-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP CCCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990254 1252262121 /nfs/dbraw/zinc/26/21/21/1252262121.db2.gz HJYWNXFNMPFZGR-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990254 1252262130 /nfs/dbraw/zinc/26/21/30/1252262130.db2.gz HJYWNXFNMPFZGR-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990254 1252262140 /nfs/dbraw/zinc/26/21/40/1252262140.db2.gz HJYWNXFNMPFZGR-DJIMGWMZSA-N 2 1 364.494 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC001002505831 1252582064 /nfs/dbraw/zinc/58/20/64/1252582064.db2.gz CBQVYZOMNNFLNR-FVQBIDKESA-N 2 1 359.474 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC001002505831 1252582071 /nfs/dbraw/zinc/58/20/71/1252582071.db2.gz CBQVYZOMNNFLNR-FVQBIDKESA-N 2 1 359.474 0.675 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001002555295 1252598841 /nfs/dbraw/zinc/59/88/41/1252598841.db2.gz IJVWXLXMBQXBSE-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC3CCOCC3)CC2)CC[N@@H+]1C ZINC001002851951 1252708031 /nfs/dbraw/zinc/70/80/31/1252708031.db2.gz MIWONZONDZNMNC-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC3CCOCC3)CC2)CC[N@H+]1C ZINC001002851951 1252708039 /nfs/dbraw/zinc/70/80/39/1252708039.db2.gz MIWONZONDZNMNC-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)O1 ZINC001002878972 1252726289 /nfs/dbraw/zinc/72/62/89/1252726289.db2.gz DHIAZLVUJHXJJO-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)O1 ZINC001002878972 1252726298 /nfs/dbraw/zinc/72/62/98/1252726298.db2.gz DHIAZLVUJHXJJO-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001002878972 1252726305 /nfs/dbraw/zinc/72/63/05/1252726305.db2.gz DHIAZLVUJHXJJO-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)O1 ZINC001002878972 1252726316 /nfs/dbraw/zinc/72/63/16/1252726316.db2.gz DHIAZLVUJHXJJO-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001002882973 1252727300 /nfs/dbraw/zinc/72/73/00/1252727300.db2.gz HMBJFCGAHDILML-CXAGYDPISA-N 2 1 371.441 0.242 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001002882973 1252727307 /nfs/dbraw/zinc/72/73/07/1252727307.db2.gz HMBJFCGAHDILML-CXAGYDPISA-N 2 1 371.441 0.242 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001004209615 1253245936 /nfs/dbraw/zinc/24/59/36/1253245936.db2.gz FBUYRTXPGDMRCB-NCOADZHNSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001004209615 1253245946 /nfs/dbraw/zinc/24/59/46/1253245946.db2.gz FBUYRTXPGDMRCB-NCOADZHNSA-N 2 1 359.474 0.924 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cccc5nccn54)[C@@H]3C2)C1 ZINC001022135838 1253774112 /nfs/dbraw/zinc/77/41/12/1253774112.db2.gz FPGRPGITGHVERC-ZMSDIMECSA-N 2 1 367.453 0.959 20 0 FCADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)n1 ZINC001329483882 1265765174 /nfs/dbraw/zinc/76/51/74/1265765174.db2.gz XVJIATLVUOSFDI-ZDUSSCGKSA-N 2 1 354.418 0.780 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCc3ccnn3C)C2)O1 ZINC001027464098 1253855414 /nfs/dbraw/zinc/85/54/14/1253855414.db2.gz JQSRIGGCPHMHOW-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CCc3ccnn3C)C2)O1 ZINC001027464098 1253855427 /nfs/dbraw/zinc/85/54/27/1253855427.db2.gz JQSRIGGCPHMHOW-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCc3ccnn3C)C2)O1 ZINC001027464098 1253855437 /nfs/dbraw/zinc/85/54/37/1253855437.db2.gz JQSRIGGCPHMHOW-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccnn3C)C2)O1 ZINC001027464098 1253855452 /nfs/dbraw/zinc/85/54/52/1253855452.db2.gz JQSRIGGCPHMHOW-BPQIPLTHSA-N 2 1 363.506 0.605 20 0 FCADMP Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)nnn1C1CC[NH2+]CC1 ZINC001329521781 1265775562 /nfs/dbraw/zinc/77/55/62/1265775562.db2.gz PCMKGTGSTJLYGV-INIZCTEOSA-N 2 1 355.446 0.693 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cc3ccccc3)C2)O1 ZINC001031765846 1253894336 /nfs/dbraw/zinc/89/43/36/1253894336.db2.gz RMLZDMZLHXWVMG-ATZDWAIDSA-N 2 1 361.486 0.357 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cc3ccccc3)C2)O1 ZINC001031765846 1253894346 /nfs/dbraw/zinc/89/43/46/1253894346.db2.gz RMLZDMZLHXWVMG-ATZDWAIDSA-N 2 1 361.486 0.357 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993889 1253912140 /nfs/dbraw/zinc/91/21/40/1253912140.db2.gz CMEFDEZFOMHBPY-FGTMMUONSA-N 2 1 358.486 0.644 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993889 1253912152 /nfs/dbraw/zinc/91/21/52/1253912152.db2.gz CMEFDEZFOMHBPY-FGTMMUONSA-N 2 1 358.486 0.644 20 0 FCADMP CC(C)[C@@H](CNC(=O)CN(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC001329565145 1265783398 /nfs/dbraw/zinc/78/33/98/1265783398.db2.gz VQIMHXKAMMLQEA-LJQANCHMSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033196517 1253951735 /nfs/dbraw/zinc/95/17/35/1253951735.db2.gz MWRRUILSWJTWQM-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033196517 1253951753 /nfs/dbraw/zinc/95/17/53/1253951753.db2.gz MWRRUILSWJTWQM-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033196517 1253951760 /nfs/dbraw/zinc/95/17/60/1253951760.db2.gz MWRRUILSWJTWQM-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033196517 1253951770 /nfs/dbraw/zinc/95/17/70/1253951770.db2.gz MWRRUILSWJTWQM-XOKHGSTOSA-N 2 1 364.494 0.147 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C[N@H+]1C1CC1 ZINC001329645420 1265798045 /nfs/dbraw/zinc/79/80/45/1265798045.db2.gz SLEQEHVVZLCDDP-OWCLPIDISA-N 2 1 373.501 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001034214342 1253978633 /nfs/dbraw/zinc/97/86/33/1253978633.db2.gz KSYSZSKDOZTRGV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001034214342 1253978644 /nfs/dbraw/zinc/97/86/44/1253978644.db2.gz KSYSZSKDOZTRGV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001034214342 1253978654 /nfs/dbraw/zinc/97/86/54/1253978654.db2.gz KSYSZSKDOZTRGV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001034214342 1253978663 /nfs/dbraw/zinc/97/86/63/1253978663.db2.gz KSYSZSKDOZTRGV-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035200794 1254018638 /nfs/dbraw/zinc/01/86/38/1254018638.db2.gz RFMGSUHYJVHKMB-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035200794 1254018647 /nfs/dbraw/zinc/01/86/47/1254018647.db2.gz RFMGSUHYJVHKMB-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035200794 1254018657 /nfs/dbraw/zinc/01/86/57/1254018657.db2.gz RFMGSUHYJVHKMB-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035200794 1254018665 /nfs/dbraw/zinc/01/86/65/1254018665.db2.gz RFMGSUHYJVHKMB-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@H]4CCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035710796 1254059369 /nfs/dbraw/zinc/05/93/69/1254059369.db2.gz SRTPSMPHFPUHSR-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@H]4CCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035710796 1254059381 /nfs/dbraw/zinc/05/93/81/1254059381.db2.gz SRTPSMPHFPUHSR-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CC[NH+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001036603822 1254066609 /nfs/dbraw/zinc/06/66/09/1254066609.db2.gz SDFJATABOMSKFL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CC[NH+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001036603822 1254066626 /nfs/dbraw/zinc/06/66/26/1254066626.db2.gz SDFJATABOMSKFL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CC[N@H+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001036603822 1254066637 /nfs/dbraw/zinc/06/66/37/1254066637.db2.gz SDFJATABOMSKFL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CC[N@@H+](C)[C@H]3CCNC3=O)CC2)O1 ZINC001036603822 1254066650 /nfs/dbraw/zinc/06/66/50/1254066650.db2.gz SDFJATABOMSKFL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](CC)CC ZINC001058788022 1254102843 /nfs/dbraw/zinc/10/28/43/1254102843.db2.gz ZRVKQNCKNZPRGN-ZACQAIPSSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)CC[NH+](C)C)CC2)O1 ZINC001060755470 1254138656 /nfs/dbraw/zinc/13/86/56/1254138656.db2.gz IKQBWQQJANPSEK-QBPKDAKJSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)CC[NH+](C)C)CC2)O1 ZINC001060755470 1254138661 /nfs/dbraw/zinc/13/86/61/1254138661.db2.gz IKQBWQQJANPSEK-QBPKDAKJSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001061601137 1254190066 /nfs/dbraw/zinc/19/00/66/1254190066.db2.gz ZJJFFFAOYPHYNI-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001061621783 1254194833 /nfs/dbraw/zinc/19/48/33/1254194833.db2.gz FGGWXMKDSILQPG-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063721779 1254382000 /nfs/dbraw/zinc/38/20/00/1254382000.db2.gz VLROYIFVAMJCSG-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063721779 1254382016 /nfs/dbraw/zinc/38/20/16/1254382016.db2.gz VLROYIFVAMJCSG-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063721779 1254382030 /nfs/dbraw/zinc/38/20/30/1254382030.db2.gz VLROYIFVAMJCSG-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063721779 1254382041 /nfs/dbraw/zinc/38/20/41/1254382041.db2.gz VLROYIFVAMJCSG-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001065206704 1254488802 /nfs/dbraw/zinc/48/88/02/1254488802.db2.gz NEAAWVHTUUGHSH-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566832 1254702753 /nfs/dbraw/zinc/70/27/53/1254702753.db2.gz PMNUBJAVNSBAME-GUDVDZBRSA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566832 1254702767 /nfs/dbraw/zinc/70/27/67/1254702767.db2.gz PMNUBJAVNSBAME-GUDVDZBRSA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566832 1254702781 /nfs/dbraw/zinc/70/27/81/1254702781.db2.gz PMNUBJAVNSBAME-GUDVDZBRSA-N 2 1 361.486 0.766 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566832 1254702804 /nfs/dbraw/zinc/70/28/04/1254702804.db2.gz PMNUBJAVNSBAME-GUDVDZBRSA-N 2 1 361.486 0.766 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CCC1 ZINC001077765490 1254960732 /nfs/dbraw/zinc/96/07/32/1254960732.db2.gz PWFFGTBGKDESBL-ZACQAIPSSA-N 2 1 364.490 0.983 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CCC1 ZINC001077765490 1254960740 /nfs/dbraw/zinc/96/07/40/1254960740.db2.gz PWFFGTBGKDESBL-ZACQAIPSSA-N 2 1 364.490 0.983 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)cn1 ZINC001077818330 1255019033 /nfs/dbraw/zinc/01/90/33/1255019033.db2.gz NYUQEECMONKOOT-IAGOWNOFSA-N 2 1 363.506 0.656 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008526 1255163774 /nfs/dbraw/zinc/16/37/74/1255163774.db2.gz JIMAQUFZCLGPJS-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008526 1255163777 /nfs/dbraw/zinc/16/37/77/1255163777.db2.gz JIMAQUFZCLGPJS-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008526 1255163784 /nfs/dbraw/zinc/16/37/84/1255163784.db2.gz JIMAQUFZCLGPJS-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078008526 1255163787 /nfs/dbraw/zinc/16/37/87/1255163787.db2.gz JIMAQUFZCLGPJS-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012125 1255169071 /nfs/dbraw/zinc/16/90/71/1255169071.db2.gz WKLHWEJOZFRGNM-BRWVUGGUSA-N 2 1 363.433 0.116 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012125 1255169077 /nfs/dbraw/zinc/16/90/77/1255169077.db2.gz WKLHWEJOZFRGNM-BRWVUGGUSA-N 2 1 363.433 0.116 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nccn3C)C2)CC[N@H+]1C ZINC001078404331 1255408504 /nfs/dbraw/zinc/40/85/04/1255408504.db2.gz YHDBWRDQMQSGJE-YESZJQIVSA-N 2 1 363.506 0.858 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)nc1 ZINC001078405569 1255408746 /nfs/dbraw/zinc/40/87/46/1255408746.db2.gz RMBAVIXTSJCXCX-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)nc1 ZINC001078405569 1255408750 /nfs/dbraw/zinc/40/87/50/1255408750.db2.gz RMBAVIXTSJCXCX-BRWVUGGUSA-N 2 1 361.490 0.832 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001079130125 1255445248 /nfs/dbraw/zinc/44/52/48/1255445248.db2.gz YPBOWZVGNNRTOH-IPMKNSEASA-N 2 1 361.486 0.537 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001079130125 1255445252 /nfs/dbraw/zinc/44/52/52/1255445252.db2.gz YPBOWZVGNNRTOH-IPMKNSEASA-N 2 1 361.486 0.537 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001079130125 1255445258 /nfs/dbraw/zinc/44/52/58/1255445258.db2.gz YPBOWZVGNNRTOH-IPMKNSEASA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@H+]1C ZINC001079135887 1255449689 /nfs/dbraw/zinc/44/96/89/1255449689.db2.gz SSLUEMJSEAGCDO-NXWXRZEISA-N 2 1 361.486 0.393 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001079135887 1255449693 /nfs/dbraw/zinc/44/96/93/1255449693.db2.gz SSLUEMJSEAGCDO-NXWXRZEISA-N 2 1 361.486 0.393 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001079135887 1255449703 /nfs/dbraw/zinc/44/97/03/1255449703.db2.gz SSLUEMJSEAGCDO-NXWXRZEISA-N 2 1 361.486 0.393 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259652 1255492664 /nfs/dbraw/zinc/49/26/64/1255492664.db2.gz MHEXAXMIVYBQOZ-OKZBNKHCSA-N 2 1 365.518 0.650 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710394 1255583153 /nfs/dbraw/zinc/58/31/53/1255583153.db2.gz GTQXYHSWXGRTDN-FHLIZLRMSA-N 2 1 358.486 0.664 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717335 1255583788 /nfs/dbraw/zinc/58/37/88/1255583788.db2.gz CMFIDZOWJHDRAI-SOLBZPMBSA-N 2 1 363.506 0.921 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079952923 1255677884 /nfs/dbraw/zinc/67/78/84/1255677884.db2.gz QGSSDCNSMYATMA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079952923 1255677889 /nfs/dbraw/zinc/67/78/89/1255677889.db2.gz QGSSDCNSMYATMA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079952923 1255677896 /nfs/dbraw/zinc/67/78/96/1255677896.db2.gz QGSSDCNSMYATMA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079952923 1255677904 /nfs/dbraw/zinc/67/79/04/1255677904.db2.gz QGSSDCNSMYATMA-QBPKDAKJSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(C(=O)C(C)(C)[NH+](C)CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079995021 1255701054 /nfs/dbraw/zinc/70/10/54/1255701054.db2.gz BJHPECIOJLTVJY-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(C(=O)C(C)(C)[NH+](C)CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079995021 1255701059 /nfs/dbraw/zinc/70/10/59/1255701059.db2.gz BJHPECIOJLTVJY-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(C(=O)C(C)(C)[N@H+](C)CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079995021 1255701066 /nfs/dbraw/zinc/70/10/66/1255701066.db2.gz BJHPECIOJLTVJY-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079995021 1255701070 /nfs/dbraw/zinc/70/10/70/1255701070.db2.gz BJHPECIOJLTVJY-GDBMZVCRSA-N 2 1 368.522 0.495 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080051222 1255725542 /nfs/dbraw/zinc/72/55/42/1255725542.db2.gz PGEUGPWOEAIXBG-ZTFGCOKTSA-N 2 1 368.441 0.642 20 0 FCADMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160996 1255765133 /nfs/dbraw/zinc/76/51/33/1255765133.db2.gz IHBYFFIDNSPSCY-DHATXRITSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160996 1255765142 /nfs/dbraw/zinc/76/51/42/1255765142.db2.gz IHBYFFIDNSPSCY-DHATXRITSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160996 1255765147 /nfs/dbraw/zinc/76/51/47/1255765147.db2.gz IHBYFFIDNSPSCY-DHATXRITSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160996 1255765153 /nfs/dbraw/zinc/76/51/53/1255765153.db2.gz IHBYFFIDNSPSCY-DHATXRITSA-N 2 1 371.485 0.585 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001080188809 1255778322 /nfs/dbraw/zinc/77/83/22/1255778322.db2.gz TWGNMKHLNWLCCL-DJIMGWMZSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188312 1255778807 /nfs/dbraw/zinc/77/88/07/1255778807.db2.gz CHHFVLKVUZOHBF-SUMDDJOVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001080188312 1255778813 /nfs/dbraw/zinc/77/88/13/1255778813.db2.gz CHHFVLKVUZOHBF-SUMDDJOVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080190935 1255780362 /nfs/dbraw/zinc/78/03/62/1255780362.db2.gz OEWIKOBPQJTUIT-ZTFGCOKTSA-N 2 1 358.486 0.729 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080190935 1255780370 /nfs/dbraw/zinc/78/03/70/1255780370.db2.gz OEWIKOBPQJTUIT-ZTFGCOKTSA-N 2 1 358.486 0.729 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329814 1255844273 /nfs/dbraw/zinc/84/42/73/1255844273.db2.gz RNAVEGIBIHKBNB-LTIDMASMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329814 1255844286 /nfs/dbraw/zinc/84/42/86/1255844286.db2.gz RNAVEGIBIHKBNB-LTIDMASMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329814 1255844298 /nfs/dbraw/zinc/84/42/98/1255844298.db2.gz RNAVEGIBIHKBNB-LTIDMASMSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329814 1255844307 /nfs/dbraw/zinc/84/43/07/1255844307.db2.gz RNAVEGIBIHKBNB-LTIDMASMSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979189 1256122007 /nfs/dbraw/zinc/12/20/07/1256122007.db2.gz FOHWIEVEUMGCMR-BMFZPTHFSA-N 2 1 365.478 0.468 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979189 1256122012 /nfs/dbraw/zinc/12/20/12/1256122012.db2.gz FOHWIEVEUMGCMR-BMFZPTHFSA-N 2 1 365.478 0.468 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979189 1256122020 /nfs/dbraw/zinc/12/20/20/1256122020.db2.gz FOHWIEVEUMGCMR-BMFZPTHFSA-N 2 1 365.478 0.468 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2C)C1 ZINC001080979189 1256122030 /nfs/dbraw/zinc/12/20/30/1256122030.db2.gz FOHWIEVEUMGCMR-BMFZPTHFSA-N 2 1 365.478 0.468 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979312 1256122678 /nfs/dbraw/zinc/12/26/78/1256122678.db2.gz KQFOTXLCHNSUPF-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979312 1256122684 /nfs/dbraw/zinc/12/26/84/1256122684.db2.gz KQFOTXLCHNSUPF-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979312 1256122688 /nfs/dbraw/zinc/12/26/88/1256122688.db2.gz KQFOTXLCHNSUPF-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2C)C1 ZINC001080979312 1256122694 /nfs/dbraw/zinc/12/26/94/1256122694.db2.gz KQFOTXLCHNSUPF-KBRIMQKVSA-N 2 1 364.494 0.052 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCO)C2)no1 ZINC001081137672 1256190316 /nfs/dbraw/zinc/19/03/16/1256190316.db2.gz JZTSSGWOQDVEDN-FUHWJXTLSA-N 2 1 358.442 0.926 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001081226699 1256210941 /nfs/dbraw/zinc/21/09/41/1256210941.db2.gz GCTDHJXNLDGOPJ-GBESFXJTSA-N 2 1 368.485 0.814 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880338 1256427557 /nfs/dbraw/zinc/42/75/57/1256427557.db2.gz XFSSITAPYLAMGS-QZTJIDSGSA-N 2 1 368.441 0.968 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880338 1256427559 /nfs/dbraw/zinc/42/75/59/1256427559.db2.gz XFSSITAPYLAMGS-QZTJIDSGSA-N 2 1 368.441 0.968 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949407 1256468693 /nfs/dbraw/zinc/46/86/93/1256468693.db2.gz NNWZYYUTNFXHKG-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949407 1256468696 /nfs/dbraw/zinc/46/86/96/1256468696.db2.gz NNWZYYUTNFXHKG-KZNAEPCWSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066241 1256519151 /nfs/dbraw/zinc/51/91/51/1256519151.db2.gz HORZXHHKRXCAHN-MWDXBVQZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066241 1256519154 /nfs/dbraw/zinc/51/91/54/1256519154.db2.gz HORZXHHKRXCAHN-MWDXBVQZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066241 1256519159 /nfs/dbraw/zinc/51/91/59/1256519159.db2.gz HORZXHHKRXCAHN-MWDXBVQZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066241 1256519163 /nfs/dbraw/zinc/51/91/63/1256519163.db2.gz HORZXHHKRXCAHN-MWDXBVQZSA-N 2 1 366.506 0.155 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)cn1 ZINC001082095882 1256533020 /nfs/dbraw/zinc/53/30/20/1256533020.db2.gz NAZQGJCFZOAOBP-QZTJIDSGSA-N 2 1 363.506 0.603 20 0 FCADMP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200922 1256586076 /nfs/dbraw/zinc/58/60/76/1256586076.db2.gz AIYXCZXCAGHFBW-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200922 1256586078 /nfs/dbraw/zinc/58/60/78/1256586078.db2.gz AIYXCZXCAGHFBW-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082317694 1256655531 /nfs/dbraw/zinc/65/55/31/1256655531.db2.gz IPGGMUQPIJJXSX-BHIYHBOVSA-N 2 1 365.518 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368657 1256717283 /nfs/dbraw/zinc/71/72/83/1256717283.db2.gz JTSKYJUDFRTBHE-BRWVUGGUSA-N 2 1 361.490 0.415 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368657 1256717287 /nfs/dbraw/zinc/71/72/87/1256717287.db2.gz JTSKYJUDFRTBHE-BRWVUGGUSA-N 2 1 361.490 0.415 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368657 1256717290 /nfs/dbraw/zinc/71/72/90/1256717290.db2.gz JTSKYJUDFRTBHE-BRWVUGGUSA-N 2 1 361.490 0.415 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368657 1256717293 /nfs/dbraw/zinc/71/72/93/1256717293.db2.gz JTSKYJUDFRTBHE-BRWVUGGUSA-N 2 1 361.490 0.415 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082448212 1256766140 /nfs/dbraw/zinc/76/61/40/1256766140.db2.gz IIMQXINLUPCCPG-MZMPZRCHSA-N 2 1 356.474 0.999 20 0 FCADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)n1 ZINC001082517914 1256800309 /nfs/dbraw/zinc/80/03/09/1256800309.db2.gz OHRLGJBGLVCQJS-RHSMWYFYSA-N 2 1 371.489 0.793 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001082522642 1256805821 /nfs/dbraw/zinc/80/58/21/1256805821.db2.gz URWZLCQJETUSEE-QKPAOTATSA-N 2 1 366.485 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001082522642 1256805831 /nfs/dbraw/zinc/80/58/31/1256805831.db2.gz URWZLCQJETUSEE-QKPAOTATSA-N 2 1 366.485 0.914 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082558156 1256853798 /nfs/dbraw/zinc/85/37/98/1256853798.db2.gz BNLMOFYWZBRJBN-KBRIMQKVSA-N 2 1 363.462 0.650 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082558156 1256853808 /nfs/dbraw/zinc/85/38/08/1256853808.db2.gz BNLMOFYWZBRJBN-KBRIMQKVSA-N 2 1 363.462 0.650 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082559610 1256856530 /nfs/dbraw/zinc/85/65/30/1256856530.db2.gz KIVDFMHDONBXEV-BMFZPTHFSA-N 2 1 361.494 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082559610 1256856541 /nfs/dbraw/zinc/85/65/41/1256856541.db2.gz KIVDFMHDONBXEV-BMFZPTHFSA-N 2 1 361.494 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082559711 1256856927 /nfs/dbraw/zinc/85/69/27/1256856927.db2.gz NEUJQZFYQMOUQX-XWIAVFTESA-N 2 1 360.506 0.965 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082559994 1256857219 /nfs/dbraw/zinc/85/72/19/1256857219.db2.gz WKAQLKIDKZWYNP-SRCQZFHVSA-N 2 1 360.506 0.969 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)cn1 ZINC001082559231 1256857728 /nfs/dbraw/zinc/85/77/28/1256857728.db2.gz YNBWGVNLJDBNDY-OLMNPRSZSA-N 2 1 371.489 0.548 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082561986 1256860286 /nfs/dbraw/zinc/86/02/86/1256860286.db2.gz FNQIRGLKOKADMN-UKRRQHHQSA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082561986 1256860297 /nfs/dbraw/zinc/86/02/97/1256860297.db2.gz FNQIRGLKOKADMN-UKRRQHHQSA-N 2 1 362.478 0.229 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570710 1256877170 /nfs/dbraw/zinc/87/71/70/1256877170.db2.gz WBLCIGMHGGDIRY-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570710 1256877174 /nfs/dbraw/zinc/87/71/74/1256877174.db2.gz WBLCIGMHGGDIRY-BZUAXINKSA-N 2 1 363.510 0.894 20 0 FCADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653608 1256957044 /nfs/dbraw/zinc/95/70/44/1256957044.db2.gz TVCAFZSWAGBTRH-JISMVTRBSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082653584 1256957531 /nfs/dbraw/zinc/95/75/31/1256957531.db2.gz SFZBHWPPTNVEHN-LDBBTLTOSA-N 2 1 359.474 0.183 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653537 1256958264 /nfs/dbraw/zinc/95/82/64/1256958264.db2.gz PTHHZMJCKDCCIN-JZMXBONXSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)CC2 ZINC001082708774 1257001614 /nfs/dbraw/zinc/00/16/14/1257001614.db2.gz MXPMVXJHBICLJE-FRFSOERESA-N 2 1 359.474 0.423 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001082710224 1257003101 /nfs/dbraw/zinc/00/31/01/1257003101.db2.gz LEXUQYKVFDGHQH-FRFSOERESA-N 2 1 357.462 0.482 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082740692 1257021384 /nfs/dbraw/zinc/02/13/84/1257021384.db2.gz CPMOFQAHAUCIKQ-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082740692 1257021391 /nfs/dbraw/zinc/02/13/91/1257021391.db2.gz CPMOFQAHAUCIKQ-HZSPNIEDSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)n3C)C2)C1 ZINC001082742157 1257023472 /nfs/dbraw/zinc/02/34/72/1257023472.db2.gz SYKGOUWVWKZZBX-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)n3C)C2)C1 ZINC001082742157 1257023480 /nfs/dbraw/zinc/02/34/80/1257023480.db2.gz SYKGOUWVWKZZBX-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082745862 1257026285 /nfs/dbraw/zinc/02/62/85/1257026285.db2.gz VFRONPLEZPIZHM-IVMMDQJWSA-N 2 1 361.446 0.209 20 0 FCADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082745751 1257026652 /nfs/dbraw/zinc/02/66/52/1257026652.db2.gz PAHNJTPYVROHBY-RHSMWYFYSA-N 2 1 371.489 0.565 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001082835527 1257091664 /nfs/dbraw/zinc/09/16/64/1257091664.db2.gz FCAAXVDVIRTZPV-IIAWOOMASA-N 2 1 363.510 0.828 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082861798 1257113927 /nfs/dbraw/zinc/11/39/27/1257113927.db2.gz OVKGEQVORKFOCU-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082861798 1257113930 /nfs/dbraw/zinc/11/39/30/1257113930.db2.gz OVKGEQVORKFOCU-IIAWOOMASA-N 2 1 360.506 0.971 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)C1 ZINC001082934015 1257154423 /nfs/dbraw/zinc/15/44/23/1257154423.db2.gz UDVHCUOQAAVNLX-BMFZPTHFSA-N 2 1 363.462 0.142 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)C1 ZINC001082934015 1257154425 /nfs/dbraw/zinc/15/44/25/1257154425.db2.gz UDVHCUOQAAVNLX-BMFZPTHFSA-N 2 1 363.462 0.142 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)C1 ZINC001082933743 1257154572 /nfs/dbraw/zinc/15/45/72/1257154572.db2.gz HWYPSSSXWMBGND-XYPHTWIQSA-N 2 1 364.494 0.052 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)nc3C)C2)C1 ZINC001082933743 1257154574 /nfs/dbraw/zinc/15/45/74/1257154574.db2.gz HWYPSSSXWMBGND-XYPHTWIQSA-N 2 1 364.494 0.052 20 0 FCADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082940901 1257159786 /nfs/dbraw/zinc/15/97/86/1257159786.db2.gz ZTRRSGWFFMEOEA-CZUORRHYSA-N 2 1 357.462 0.522 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082943499 1257160560 /nfs/dbraw/zinc/16/05/60/1257160560.db2.gz KUUVARIACRGHSE-FVQBIDKESA-N 2 1 361.494 0.819 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001082943499 1257160563 /nfs/dbraw/zinc/16/05/63/1257160563.db2.gz KUUVARIACRGHSE-FVQBIDKESA-N 2 1 361.494 0.819 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023835 1257214592 /nfs/dbraw/zinc/21/45/92/1257214592.db2.gz QVAKGLFNLWAZPV-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023835 1257214594 /nfs/dbraw/zinc/21/45/94/1257214594.db2.gz QVAKGLFNLWAZPV-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023835 1257214598 /nfs/dbraw/zinc/21/45/98/1257214598.db2.gz QVAKGLFNLWAZPV-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083023835 1257214602 /nfs/dbraw/zinc/21/46/02/1257214602.db2.gz QVAKGLFNLWAZPV-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084700 1257285862 /nfs/dbraw/zinc/28/58/62/1257285862.db2.gz ACFDSSGRGDEFIN-BHYGNILZSA-N 2 1 365.478 0.005 20 0 FCADMP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149001 1257404707 /nfs/dbraw/zinc/40/47/07/1257404707.db2.gz SAVLIHKKHTZPSQ-KZIZELGASA-N 2 1 361.486 0.727 20 0 FCADMP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149001 1257404710 /nfs/dbraw/zinc/40/47/10/1257404710.db2.gz SAVLIHKKHTZPSQ-KZIZELGASA-N 2 1 361.486 0.727 20 0 FCADMP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149001 1257404715 /nfs/dbraw/zinc/40/47/15/1257404715.db2.gz SAVLIHKKHTZPSQ-KZIZELGASA-N 2 1 361.486 0.727 20 0 FCADMP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149001 1257404719 /nfs/dbraw/zinc/40/47/19/1257404719.db2.gz SAVLIHKKHTZPSQ-KZIZELGASA-N 2 1 361.486 0.727 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781417 1257525675 /nfs/dbraw/zinc/52/56/75/1257525675.db2.gz GQIARBGMGANNLZ-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781417 1257525678 /nfs/dbraw/zinc/52/56/78/1257525678.db2.gz GQIARBGMGANNLZ-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781417 1257525683 /nfs/dbraw/zinc/52/56/83/1257525683.db2.gz GQIARBGMGANNLZ-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083781417 1257525690 /nfs/dbraw/zinc/52/56/90/1257525690.db2.gz GQIARBGMGANNLZ-QRQLOZEOSA-N 2 1 361.486 0.877 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083832546 1257586276 /nfs/dbraw/zinc/58/62/76/1257586276.db2.gz LFQMGWKXHZTGBT-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083832546 1257586279 /nfs/dbraw/zinc/58/62/79/1257586279.db2.gz LFQMGWKXHZTGBT-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083832546 1257586284 /nfs/dbraw/zinc/58/62/84/1257586284.db2.gz LFQMGWKXHZTGBT-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083832546 1257586288 /nfs/dbraw/zinc/58/62/88/1257586288.db2.gz LFQMGWKXHZTGBT-KURKYZTESA-N 2 1 363.506 0.387 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2O)cn1 ZINC001083850883 1257607285 /nfs/dbraw/zinc/60/72/85/1257607285.db2.gz AERXYJJAJYSHSQ-MSOLQXFVSA-N 2 1 363.506 0.800 20 0 FCADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851301 1257609207 /nfs/dbraw/zinc/60/92/07/1257609207.db2.gz YEFOGRULBATIMV-IPELMVKDSA-N 2 1 371.485 0.981 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)cc1 ZINC001083864140 1257626631 /nfs/dbraw/zinc/62/66/31/1257626631.db2.gz ZVXFNRROEHHIHR-QRQLOZEOSA-N 2 1 361.486 0.950 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1)OC ZINC001083895852 1257671913 /nfs/dbraw/zinc/67/19/13/1257671913.db2.gz JOVNJIDCTNRSNS-ZACQAIPSSA-N 2 1 359.430 0.467 20 0 FCADMP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1)OC ZINC001083895852 1257671918 /nfs/dbraw/zinc/67/19/18/1257671918.db2.gz JOVNJIDCTNRSNS-ZACQAIPSSA-N 2 1 359.430 0.467 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936928 1257721384 /nfs/dbraw/zinc/72/13/84/1257721384.db2.gz CMGQISWMDVFRRI-OTWHNJEPSA-N 2 1 365.518 0.839 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953299 1257742731 /nfs/dbraw/zinc/74/27/31/1257742731.db2.gz NMIWEVPPDYFYOB-BBWFWOEESA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953299 1257742739 /nfs/dbraw/zinc/74/27/39/1257742739.db2.gz NMIWEVPPDYFYOB-BBWFWOEESA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953299 1257742746 /nfs/dbraw/zinc/74/27/46/1257742746.db2.gz NMIWEVPPDYFYOB-BBWFWOEESA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)ccn1 ZINC001083953299 1257742753 /nfs/dbraw/zinc/74/27/53/1257742753.db2.gz NMIWEVPPDYFYOB-BBWFWOEESA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001083961874 1257753721 /nfs/dbraw/zinc/75/37/21/1257753721.db2.gz LDKKLPPQKYNUHW-LESCRADOSA-N 2 1 362.474 0.882 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001083961874 1257753724 /nfs/dbraw/zinc/75/37/24/1257753724.db2.gz LDKKLPPQKYNUHW-LESCRADOSA-N 2 1 362.474 0.882 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001521557234 1266139851 /nfs/dbraw/zinc/13/98/51/1266139851.db2.gz ZKPQAALTQDQLGU-FZMZJTMJSA-N 2 1 372.263 0.952 20 0 FCADMP CCc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056840 1257869660 /nfs/dbraw/zinc/86/96/60/1257869660.db2.gz PYJRVIAHNHFUJA-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084056840 1257869668 /nfs/dbraw/zinc/86/96/68/1257869668.db2.gz PYJRVIAHNHFUJA-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056840 1257869678 /nfs/dbraw/zinc/86/96/78/1257869678.db2.gz PYJRVIAHNHFUJA-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP CCc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084056840 1257869687 /nfs/dbraw/zinc/86/96/87/1257869687.db2.gz PYJRVIAHNHFUJA-UHOSZYNNSA-N 2 1 361.486 0.741 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088290 1257913548 /nfs/dbraw/zinc/91/35/48/1257913548.db2.gz ZUASXZCSNDZDPI-UHOSZYNNSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)CCC1 ZINC001084403789 1258081697 /nfs/dbraw/zinc/08/16/97/1258081697.db2.gz BTZZPKJPLZKCCJ-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCc5ncnn54)C[C@H]32)CCC1 ZINC001084404022 1258083301 /nfs/dbraw/zinc/08/33/01/1258083301.db2.gz OHGPGTNMKZSVJT-BZUAXINKSA-N 2 1 358.490 0.782 20 0 FCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001084450493 1258118387 /nfs/dbraw/zinc/11/83/87/1258118387.db2.gz KSDAHAVNGCYINB-RCCFBDPRSA-N 2 1 365.518 0.914 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084522001 1258149861 /nfs/dbraw/zinc/14/98/61/1258149861.db2.gz FTVZVOCYUFQMLH-XOKHGSTOSA-N 2 1 353.426 0.759 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084522001 1258149865 /nfs/dbraw/zinc/14/98/65/1258149865.db2.gz FTVZVOCYUFQMLH-XOKHGSTOSA-N 2 1 353.426 0.759 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CCn4cncn4)C[C@H]32)C1 ZINC001084599657 1258191226 /nfs/dbraw/zinc/19/12/26/1258191226.db2.gz PDMRDZCEZAXRJV-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084599657 1258191228 /nfs/dbraw/zinc/19/12/28/1258191228.db2.gz PDMRDZCEZAXRJV-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC001084599657 1258191232 /nfs/dbraw/zinc/19/12/32/1258191232.db2.gz PDMRDZCEZAXRJV-FGTMMUONSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702846 1258252506 /nfs/dbraw/zinc/25/25/06/1258252506.db2.gz VRZQGKNHZNIUNJ-QGPMSJSTSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702846 1258252507 /nfs/dbraw/zinc/25/25/07/1258252507.db2.gz VRZQGKNHZNIUNJ-QGPMSJSTSA-N 2 1 362.518 0.918 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723626 1258267534 /nfs/dbraw/zinc/26/75/34/1258267534.db2.gz REFDFYLOSHOCKW-QZTJIDSGSA-N 2 1 358.486 0.983 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723626 1258267536 /nfs/dbraw/zinc/26/75/36/1258267536.db2.gz REFDFYLOSHOCKW-QZTJIDSGSA-N 2 1 358.486 0.983 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001084775829 1258317917 /nfs/dbraw/zinc/31/79/17/1258317917.db2.gz VXQGIUPGVBFNID-KZNAEPCWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084775829 1258317923 /nfs/dbraw/zinc/31/79/23/1258317923.db2.gz VXQGIUPGVBFNID-KZNAEPCWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084775829 1258317930 /nfs/dbraw/zinc/31/79/30/1258317930.db2.gz VXQGIUPGVBFNID-KZNAEPCWSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084832989 1258380049 /nfs/dbraw/zinc/38/00/49/1258380049.db2.gz JBWXJPMVARDXBQ-OWCLPIDISA-N 2 1 355.446 0.503 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084832989 1258380056 /nfs/dbraw/zinc/38/00/56/1258380056.db2.gz JBWXJPMVARDXBQ-OWCLPIDISA-N 2 1 355.446 0.503 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21)N1CCC1 ZINC001084941567 1258454827 /nfs/dbraw/zinc/45/48/27/1258454827.db2.gz PWXBRMCZMHDOEJ-SQNIBIBYSA-N 2 1 360.502 0.483 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084957856 1258468811 /nfs/dbraw/zinc/46/88/11/1258468811.db2.gz AZNOJQWFGNOPKW-ZACQAIPSSA-N 2 1 369.473 0.975 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084957856 1258468816 /nfs/dbraw/zinc/46/88/16/1258468816.db2.gz AZNOJQWFGNOPKW-ZACQAIPSSA-N 2 1 369.473 0.975 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21)NC1CC1 ZINC001084980691 1258493495 /nfs/dbraw/zinc/49/34/95/1258493495.db2.gz RVTSGRZOLNXWDX-WBVHZDCISA-N 2 1 360.502 0.816 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21)NC1CC1 ZINC001084980691 1258493498 /nfs/dbraw/zinc/49/34/98/1258493498.db2.gz RVTSGRZOLNXWDX-WBVHZDCISA-N 2 1 360.502 0.816 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085050023 1258546545 /nfs/dbraw/zinc/54/65/45/1258546545.db2.gz QEODKGKOCWGZGT-AEFFLSMTSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085050023 1258546550 /nfs/dbraw/zinc/54/65/50/1258546550.db2.gz QEODKGKOCWGZGT-AEFFLSMTSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@@H]32)cn1 ZINC001085056775 1258550924 /nfs/dbraw/zinc/55/09/24/1258550924.db2.gz FWUIBYINDMRUHW-MSOLQXFVSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@@H]32)cn1 ZINC001085056775 1258550931 /nfs/dbraw/zinc/55/09/31/1258550931.db2.gz FWUIBYINDMRUHW-MSOLQXFVSA-N 2 1 361.490 0.565 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072081 1258568301 /nfs/dbraw/zinc/56/83/01/1258568301.db2.gz GLKVVMYMRLYDMV-AEFFLSMTSA-N 2 1 362.518 0.777 20 0 FCADMP O=C(N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076145 1258572441 /nfs/dbraw/zinc/57/24/41/1258572441.db2.gz MPQRVHNVLLBWTF-ZACQAIPSSA-N 2 1 370.501 0.784 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092715 1258586345 /nfs/dbraw/zinc/58/63/45/1258586345.db2.gz NISPTAHXVFSYKE-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092715 1258586351 /nfs/dbraw/zinc/58/63/51/1258586351.db2.gz NISPTAHXVFSYKE-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092715 1258586355 /nfs/dbraw/zinc/58/63/55/1258586355.db2.gz NISPTAHXVFSYKE-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)[C@H]3C2)C1 ZINC001085092715 1258586361 /nfs/dbraw/zinc/58/63/61/1258586361.db2.gz NISPTAHXVFSYKE-RYRKJORJSA-N 2 1 362.518 0.920 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096633 1258591064 /nfs/dbraw/zinc/59/10/64/1258591064.db2.gz MIMJSGYSRFRTTE-FGTMMUONSA-N 2 1 361.490 0.527 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096633 1258591071 /nfs/dbraw/zinc/59/10/71/1258591071.db2.gz MIMJSGYSRFRTTE-FGTMMUONSA-N 2 1 361.490 0.527 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096633 1258591077 /nfs/dbraw/zinc/59/10/77/1258591077.db2.gz MIMJSGYSRFRTTE-FGTMMUONSA-N 2 1 361.490 0.527 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096633 1258591083 /nfs/dbraw/zinc/59/10/83/1258591083.db2.gz MIMJSGYSRFRTTE-FGTMMUONSA-N 2 1 361.490 0.527 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085152880 1258609689 /nfs/dbraw/zinc/60/96/89/1258609689.db2.gz UZBBQBOIEXFJAL-RBSFLKMASA-N 2 1 362.478 0.420 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085152880 1258609695 /nfs/dbraw/zinc/60/96/95/1258609695.db2.gz UZBBQBOIEXFJAL-RBSFLKMASA-N 2 1 362.478 0.420 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001086734516 1258632484 /nfs/dbraw/zinc/63/24/84/1258632484.db2.gz KBOHJAXSPKLDRZ-RRFJBIMHSA-N 2 1 364.494 0.994 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001086734516 1258632490 /nfs/dbraw/zinc/63/24/90/1258632490.db2.gz KBOHJAXSPKLDRZ-RRFJBIMHSA-N 2 1 364.494 0.994 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153637 1258665804 /nfs/dbraw/zinc/66/58/04/1258665804.db2.gz DBGHBVSCYRJXBH-OAGGEKHMSA-N 2 1 366.506 0.012 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170041 1258689604 /nfs/dbraw/zinc/68/96/04/1258689604.db2.gz BUDIEEBNAKCSRC-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170041 1258689613 /nfs/dbraw/zinc/68/96/13/1258689613.db2.gz BUDIEEBNAKCSRC-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170041 1258689622 /nfs/dbraw/zinc/68/96/22/1258689622.db2.gz BUDIEEBNAKCSRC-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170041 1258689631 /nfs/dbraw/zinc/68/96/31/1258689631.db2.gz BUDIEEBNAKCSRC-ZACQAIPSSA-N 2 1 360.506 0.920 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172808 1258693598 /nfs/dbraw/zinc/69/35/98/1258693598.db2.gz FZWOYCOBPLQQFT-IJEWVQPXSA-N 2 1 359.474 0.805 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)nn1 ZINC001088201311 1258724874 /nfs/dbraw/zinc/72/48/74/1258724874.db2.gz VXQNELZLNJTPAC-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208423 1258732229 /nfs/dbraw/zinc/73/22/29/1258732229.db2.gz YXHXLXIGCBDPCC-BPQIPLTHSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208423 1258732234 /nfs/dbraw/zinc/73/22/34/1258732234.db2.gz YXHXLXIGCBDPCC-BPQIPLTHSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208423 1258732242 /nfs/dbraw/zinc/73/22/42/1258732242.db2.gz YXHXLXIGCBDPCC-BPQIPLTHSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)C1 ZINC001088208423 1258732248 /nfs/dbraw/zinc/73/22/48/1258732248.db2.gz YXHXLXIGCBDPCC-BPQIPLTHSA-N 2 1 362.474 0.984 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670897 1258812720 /nfs/dbraw/zinc/81/27/20/1258812720.db2.gz BUVFGOUJPKOCLE-FGTMMUONSA-N 2 1 362.522 0.940 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670897 1258812724 /nfs/dbraw/zinc/81/27/24/1258812724.db2.gz BUVFGOUJPKOCLE-FGTMMUONSA-N 2 1 362.522 0.940 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001092670897 1258812730 /nfs/dbraw/zinc/81/27/30/1258812730.db2.gz BUVFGOUJPKOCLE-FGTMMUONSA-N 2 1 362.522 0.940 20 0 FCADMP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092722240 1258819782 /nfs/dbraw/zinc/81/97/82/1258819782.db2.gz WERFBNBFJLWMIW-YFHUEUNASA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092722240 1258819789 /nfs/dbraw/zinc/81/97/89/1258819789.db2.gz WERFBNBFJLWMIW-YFHUEUNASA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092722240 1258819801 /nfs/dbraw/zinc/81/98/01/1258819801.db2.gz WERFBNBFJLWMIW-YFHUEUNASA-N 2 1 363.506 0.366 20 0 FCADMP C[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092722240 1258819809 /nfs/dbraw/zinc/81/98/09/1258819809.db2.gz WERFBNBFJLWMIW-YFHUEUNASA-N 2 1 363.506 0.366 20 0 FCADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)ccc2c[nH+]cn21 ZINC001092757402 1258830506 /nfs/dbraw/zinc/83/05/06/1258830506.db2.gz ZNZWJEDIFDSDHS-MRRJBJDNSA-N 2 1 355.442 0.829 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829796 1258859429 /nfs/dbraw/zinc/85/94/29/1258859429.db2.gz HNLAWXWFUBDTMV-GDBMZVCRSA-N 2 1 370.457 0.657 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106664903 1258935857 /nfs/dbraw/zinc/93/58/57/1258935857.db2.gz CAMHHQMQZUUOHP-BZUAXINKSA-N 2 1 364.490 0.304 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106665739 1258936660 /nfs/dbraw/zinc/93/66/60/1258936660.db2.gz AEKKGLFMDMAMKV-BRWVUGGUSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106667877 1258937464 /nfs/dbraw/zinc/93/74/64/1258937464.db2.gz AMMROAMFQSQQQZ-NVXWUHKLSA-N 2 1 364.534 0.929 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667065 1258937551 /nfs/dbraw/zinc/93/75/51/1258937551.db2.gz GQMVYVNECCZXCP-FVQBIDKESA-N 2 1 361.490 0.574 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106840575 1258974648 /nfs/dbraw/zinc/97/46/48/1258974648.db2.gz URRVBMPJWATFGX-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874406 1258984723 /nfs/dbraw/zinc/98/47/23/1258984723.db2.gz GRWAGSYJKCWKAF-BPQIPLTHSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106910925 1258994158 /nfs/dbraw/zinc/99/41/58/1258994158.db2.gz VTVNHRUPRYZSFZ-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106981039 1259010357 /nfs/dbraw/zinc/01/03/57/1259010357.db2.gz FIIAUNGUFDQMJF-BZUAXINKSA-N 2 1 367.538 0.720 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)C1 ZINC001107012278 1259017464 /nfs/dbraw/zinc/01/74/64/1259017464.db2.gz MRRONUFJLRCYLW-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C2)C1 ZINC001107012278 1259017469 /nfs/dbraw/zinc/01/74/69/1259017469.db2.gz MRRONUFJLRCYLW-BRWVUGGUSA-N 2 1 368.522 0.163 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530864 1259108719 /nfs/dbraw/zinc/10/87/19/1259108719.db2.gz PXEAVCJGNUZHFO-IEBWSBKVSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107614032 1259133674 /nfs/dbraw/zinc/13/36/74/1259133674.db2.gz MFQIYERUGISACE-RDTXWAMCSA-N 2 1 367.494 0.274 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107635408 1259141071 /nfs/dbraw/zinc/14/10/71/1259141071.db2.gz OJCJIGTXMSKJCU-SJLPKXTDSA-N 2 1 357.462 0.844 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107635408 1259141074 /nfs/dbraw/zinc/14/10/74/1259141074.db2.gz OJCJIGTXMSKJCU-SJLPKXTDSA-N 2 1 357.462 0.844 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1ncccn1 ZINC001127570642 1259180002 /nfs/dbraw/zinc/18/00/02/1259180002.db2.gz AADMILQUHDBLQU-OIISXLGYSA-N 2 1 361.490 0.990 20 0 FCADMP COc1cc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)on1 ZINC001127570914 1259180401 /nfs/dbraw/zinc/18/04/01/1259180401.db2.gz FNQOJAKOWCZCRS-WBVHZDCISA-N 2 1 366.462 0.636 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC001331588123 1266244321 /nfs/dbraw/zinc/24/43/21/1266244321.db2.gz YMZWDNINWIIWLD-GASCZTMLSA-N 2 1 371.416 0.899 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331603602 1266247901 /nfs/dbraw/zinc/24/79/01/1266247901.db2.gz HBCZECOCUNXMNE-DKIMLUQUSA-N 2 1 358.486 0.867 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCOC)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129004091 1259287992 /nfs/dbraw/zinc/28/79/92/1259287992.db2.gz LQCQKVLIMBFDKC-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004091 1259288000 /nfs/dbraw/zinc/28/80/00/1259288000.db2.gz LQCQKVLIMBFDKC-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004091 1259288004 /nfs/dbraw/zinc/28/80/04/1259288004.db2.gz LQCQKVLIMBFDKC-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127444 1259322336 /nfs/dbraw/zinc/32/23/36/1259322336.db2.gz CKQAGEYBQUOVLC-OAGGEKHMSA-N 2 1 364.494 0.265 20 0 FCADMP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233218 1259350434 /nfs/dbraw/zinc/35/04/34/1259350434.db2.gz JCHGEHZHGHYYEI-IXDOHACOSA-N 2 1 366.510 0.631 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129233218 1259350438 /nfs/dbraw/zinc/35/04/38/1259350438.db2.gz JCHGEHZHGHYYEI-IXDOHACOSA-N 2 1 366.510 0.631 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129265728 1259358479 /nfs/dbraw/zinc/35/84/79/1259358479.db2.gz CLXJEYMUDSDIRJ-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276855 1259363499 /nfs/dbraw/zinc/36/34/99/1259363499.db2.gz XMVJTLGNKFGZQP-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276855 1259363505 /nfs/dbraw/zinc/36/35/05/1259363505.db2.gz XMVJTLGNKFGZQP-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1cnc(C[NH3+])n1 ZINC001168750371 1259390967 /nfs/dbraw/zinc/39/09/67/1259390967.db2.gz MIBAQPDBADZMFE-LBPRGKRZSA-N 2 1 362.434 0.227 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1cnc(C[NH3+])n1 ZINC001168750371 1259390975 /nfs/dbraw/zinc/39/09/75/1259390975.db2.gz MIBAQPDBADZMFE-LBPRGKRZSA-N 2 1 362.434 0.227 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200554091 1259416059 /nfs/dbraw/zinc/41/60/59/1259416059.db2.gz FKHDKHRBLGEJBG-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)CC[N@H+]1C ZINC001200556267 1259417658 /nfs/dbraw/zinc/41/76/58/1259417658.db2.gz XACDZNIGQVPQQJ-IXDOHACOSA-N 2 1 364.494 0.216 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200644374 1259418864 /nfs/dbraw/zinc/41/88/64/1259418864.db2.gz KLPVICCMWXFURC-LSDHHAIUSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCc3ccco3)CC2)CC[N@H+]1C ZINC001200636630 1259419403 /nfs/dbraw/zinc/41/94/03/1259419403.db2.gz JYCSNTXJVPLEGL-RHSMWYFYSA-N 2 1 362.474 0.817 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635611 1259419522 /nfs/dbraw/zinc/41/95/22/1259419522.db2.gz BHAODSWQXPCXEU-GZBFAFLISA-N 2 1 367.494 0.141 20 0 FCADMP CC(C)OCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786984 1259419714 /nfs/dbraw/zinc/41/97/14/1259419714.db2.gz LFZPJVYVRLXXAP-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CC(C)OCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786984 1259419718 /nfs/dbraw/zinc/41/97/18/1259419718.db2.gz LFZPJVYVRLXXAP-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295534 1259456249 /nfs/dbraw/zinc/45/62/49/1259456249.db2.gz USPLFGDSDUOJGS-IAGOWNOFSA-N 2 1 367.494 0.300 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001331668681 1266262039 /nfs/dbraw/zinc/26/20/39/1266262039.db2.gz NDYNZNCVERJHLZ-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436940 1259505272 /nfs/dbraw/zinc/50/52/72/1259505272.db2.gz RRSHWQDZERVUFN-NUJGCVRESA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212486916 1259521682 /nfs/dbraw/zinc/52/16/82/1259521682.db2.gz IXQHNZXQNYHIQW-HZPDHXFCSA-N 2 1 364.490 0.431 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212486916 1259521687 /nfs/dbraw/zinc/52/16/87/1259521687.db2.gz IXQHNZXQNYHIQW-HZPDHXFCSA-N 2 1 364.490 0.431 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212486916 1259521689 /nfs/dbraw/zinc/52/16/89/1259521689.db2.gz IXQHNZXQNYHIQW-HZPDHXFCSA-N 2 1 364.490 0.431 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212486916 1259521693 /nfs/dbraw/zinc/52/16/93/1259521693.db2.gz IXQHNZXQNYHIQW-HZPDHXFCSA-N 2 1 364.490 0.431 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)cn1 ZINC001212487123 1259523564 /nfs/dbraw/zinc/52/35/64/1259523564.db2.gz SHYYQGXRMFSDHQ-IAGOWNOFSA-N 2 1 365.522 0.991 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)cn1 ZINC001212487123 1259523566 /nfs/dbraw/zinc/52/35/66/1259523566.db2.gz SHYYQGXRMFSDHQ-IAGOWNOFSA-N 2 1 365.522 0.991 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C2)cn1 ZINC001212487123 1259523567 /nfs/dbraw/zinc/52/35/67/1259523567.db2.gz SHYYQGXRMFSDHQ-IAGOWNOFSA-N 2 1 365.522 0.991 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C2)cn1 ZINC001212487123 1259523570 /nfs/dbraw/zinc/52/35/70/1259523570.db2.gz SHYYQGXRMFSDHQ-IAGOWNOFSA-N 2 1 365.522 0.991 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496074 1259525232 /nfs/dbraw/zinc/52/52/32/1259525232.db2.gz XUSCHPVISNIIOW-GVDBMIGSSA-N 2 1 371.522 0.462 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496074 1259525236 /nfs/dbraw/zinc/52/52/36/1259525236.db2.gz XUSCHPVISNIIOW-GVDBMIGSSA-N 2 1 371.522 0.462 20 0 FCADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496074 1259525240 /nfs/dbraw/zinc/52/52/40/1259525240.db2.gz XUSCHPVISNIIOW-GVDBMIGSSA-N 2 1 371.522 0.462 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212496115 1259525900 /nfs/dbraw/zinc/52/59/00/1259525900.db2.gz ZMHJLEYKMQWGDH-USXIJHARSA-N 2 1 362.430 0.079 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230057 1259537673 /nfs/dbraw/zinc/53/76/73/1259537673.db2.gz WRMGNSCEQYKJNH-RBSFLKMASA-N 2 1 369.510 0.387 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3N3CC[NH2+]CC3)C[C@@H]2N1 ZINC001235283031 1259569296 /nfs/dbraw/zinc/56/92/96/1259569296.db2.gz NFTPEQSLJZNRPG-KURKYZTESA-N 2 1 358.486 0.822 20 0 FCADMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C[C@@H]2N1 ZINC001235283031 1259569300 /nfs/dbraw/zinc/56/93/00/1259569300.db2.gz NFTPEQSLJZNRPG-KURKYZTESA-N 2 1 358.486 0.822 20 0 FCADMP CC1(C)NC[C@@H](C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470469 1259572327 /nfs/dbraw/zinc/57/23/27/1259572327.db2.gz AGOLCEKIKYNMAF-HOTGVXAUSA-N 2 1 367.490 0.298 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470469 1259572333 /nfs/dbraw/zinc/57/23/33/1259572333.db2.gz AGOLCEKIKYNMAF-HOTGVXAUSA-N 2 1 367.490 0.298 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470469 1259572343 /nfs/dbraw/zinc/57/23/43/1259572343.db2.gz AGOLCEKIKYNMAF-HOTGVXAUSA-N 2 1 367.490 0.298 20 0 FCADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)CCC12C[NH2+]C2 ZINC001237435544 1259598044 /nfs/dbraw/zinc/59/80/44/1259598044.db2.gz IPHBELSGXLNJPW-QGZVFWFLSA-N 3 1 373.501 0.466 20 0 FCADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)CCC12C[NH2+]C2 ZINC001237435543 1259598180 /nfs/dbraw/zinc/59/81/80/1259598180.db2.gz IPHBELSGXLNJPW-KRWDZBQOSA-N 3 1 373.501 0.466 20 0 FCADMP CC(=O)N1CC2(C1)C[N@@H+](Cc1cccc3c[nH+]cn31)C[C@@H]2C(=O)N(C)C ZINC001238117073 1259615366 /nfs/dbraw/zinc/61/53/66/1259615366.db2.gz UZTKRBNRISGMCY-QGZVFWFLSA-N 2 1 355.442 0.703 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](Cc1cccc3c[nH+]cn31)C[C@@H]2C(=O)N(C)C ZINC001238117073 1259615378 /nfs/dbraw/zinc/61/53/78/1259615378.db2.gz UZTKRBNRISGMCY-QGZVFWFLSA-N 2 1 355.442 0.703 20 0 FCADMP C(Cn1nnnc1N1CCC[N@H+](C2CCCC2)CC1)CN1CCOCC1 ZINC001335340877 1259616153 /nfs/dbraw/zinc/61/61/53/1259616153.db2.gz BFDGIOMQNUPGEQ-UHFFFAOYSA-N 2 1 363.510 0.850 20 0 FCADMP C(Cn1nnnc1N1CCC[N@@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC001335340877 1259616162 /nfs/dbraw/zinc/61/61/62/1259616162.db2.gz BFDGIOMQNUPGEQ-UHFFFAOYSA-N 2 1 363.510 0.850 20 0 FCADMP C(Cn1nnnc1N1CCC[N@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC001335340877 1259616170 /nfs/dbraw/zinc/61/61/70/1259616170.db2.gz BFDGIOMQNUPGEQ-UHFFFAOYSA-N 2 1 363.510 0.850 20 0 FCADMP [NH3+]C1CCN(c2nccc(-c3cnn(CC[NH+]4CCOCC4)c3)n2)CC1 ZINC001240539771 1259627957 /nfs/dbraw/zinc/62/79/57/1259627957.db2.gz LGXKGSABVXJEEU-UHFFFAOYSA-N 2 1 357.462 0.600 20 0 FCADMP c1nn(CC[NH+]2CCOCC2)cc1-c1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001240541379 1259628445 /nfs/dbraw/zinc/62/84/45/1259628445.db2.gz NKFINZQPRHXZJX-INIZCTEOSA-N 2 1 358.446 0.803 20 0 FCADMP COC(=O)[C@@](C)([NH3+])Cc1cccc(-c2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001241900020 1259632401 /nfs/dbraw/zinc/63/24/01/1259632401.db2.gz RWZMBPUYJLRFEW-IBGZPJMESA-N 2 1 355.442 0.986 20 0 FCADMP C[NH+]1CCN(NC(=O)c2ccc(-c3nccc(C4C[NH2+]C4)n3)cc2)CC1 ZINC001242097037 1259633050 /nfs/dbraw/zinc/63/30/50/1259633050.db2.gz HXPPEEZJRMVYNO-UHFFFAOYSA-N 2 1 352.442 0.723 20 0 FCADMP C[C@@](O)(C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCc1ccccc1 ZINC001245986057 1259643157 /nfs/dbraw/zinc/64/31/57/1259643157.db2.gz NZHZMCYOUOIHIR-IEBWSBKVSA-N 2 1 361.486 0.945 20 0 FCADMP COC(=O)C1(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001245992116 1259644435 /nfs/dbraw/zinc/64/44/35/1259644435.db2.gz LCSHEAPULLXDME-JKSUJKDBSA-N 2 1 371.428 0.328 20 0 FCADMP [NH3+]CCC[NH2+]CCC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246011246 1259644530 /nfs/dbraw/zinc/64/45/30/1259644530.db2.gz UEULPRNQBYLMEZ-DLBZAZTESA-N 3 1 368.432 0.425 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@H]1C2 ZINC001246048570 1259645272 /nfs/dbraw/zinc/64/52/72/1259645272.db2.gz ZAANCLYIKZQAON-CWVBCOCOSA-N 2 1 374.481 0.895 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]1C2 ZINC001246044994 1259645788 /nfs/dbraw/zinc/64/57/88/1259645788.db2.gz IRTMNHCWWULXQR-YCWKWXDGSA-N 2 1 360.454 0.757 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]1C2 ZINC001246044244 1259645869 /nfs/dbraw/zinc/64/58/69/1259645869.db2.gz FNSLELWBPDDTBM-UTJFUGJHSA-N 2 1 373.497 0.248 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C[C@H]1C2 ZINC001246044244 1259645880 /nfs/dbraw/zinc/64/58/80/1259645880.db2.gz FNSLELWBPDDTBM-UTJFUGJHSA-N 2 1 373.497 0.248 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C[C@H]1C2 ZINC001246044244 1259645889 /nfs/dbraw/zinc/64/58/89/1259645889.db2.gz FNSLELWBPDDTBM-UTJFUGJHSA-N 2 1 373.497 0.248 20 0 FCADMP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001246153234 1259648057 /nfs/dbraw/zinc/64/80/57/1259648057.db2.gz RIHFNZKMCOKGJR-CMOVJTKZSA-N 2 1 356.470 0.586 20 0 FCADMP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001246153234 1259648065 /nfs/dbraw/zinc/64/80/65/1259648065.db2.gz RIHFNZKMCOKGJR-CMOVJTKZSA-N 2 1 356.470 0.586 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412593 1259652122 /nfs/dbraw/zinc/65/21/22/1259652122.db2.gz PNHJAXMPBWGKJM-MAUKXSAKSA-N 2 1 357.495 0.651 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335412593 1259652132 /nfs/dbraw/zinc/65/21/32/1259652132.db2.gz PNHJAXMPBWGKJM-MAUKXSAKSA-N 2 1 357.495 0.651 20 0 FCADMP O=C(CN1CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1)OCc1ccccc1 ZINC001246631678 1259657648 /nfs/dbraw/zinc/65/76/48/1259657648.db2.gz SMGPDKXEOWEEJO-OAQYLSRUSA-N 2 1 372.513 0.832 20 0 FCADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671272 1259658701 /nfs/dbraw/zinc/65/87/01/1259658701.db2.gz ILDRWHJBPFPGIU-MSWPAXRKSA-N 2 1 365.474 0.001 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C1CCC3(CC1)C[NH2+]CCO3)C2 ZINC001246674131 1259660330 /nfs/dbraw/zinc/66/03/30/1259660330.db2.gz QHFIZINNYBSRRR-NHJAOSELSA-N 3 1 363.502 0.618 20 0 FCADMP O=C([C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2)N1CCOCC1 ZINC001246699533 1259661457 /nfs/dbraw/zinc/66/14/57/1259661457.db2.gz ZAKHHFJWQWIUFD-WFFDWFOESA-N 2 1 363.502 0.857 20 0 FCADMP O=C1[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001246704539 1259663992 /nfs/dbraw/zinc/66/39/92/1259663992.db2.gz HMXHVMGDMDEYNC-RYQLBKOJSA-N 2 1 358.461 0.810 20 0 FCADMP Cn1nc(C(=O)N2CCCC2)c2c1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246701109 1259664642 /nfs/dbraw/zinc/66/46/42/1259664642.db2.gz NEJQLODICDXEBW-AWEZNQCLSA-N 2 1 358.490 0.108 20 0 FCADMP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713374 1259666311 /nfs/dbraw/zinc/66/63/11/1259666311.db2.gz ZXFABOZYFRYBBF-NVXWUHKLSA-N 2 1 360.506 0.593 20 0 FCADMP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246713374 1259666319 /nfs/dbraw/zinc/66/63/19/1259666319.db2.gz ZXFABOZYFRYBBF-NVXWUHKLSA-N 2 1 360.506 0.593 20 0 FCADMP c1cnc(N2CC[C@@]3(C2)COCC[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246718771 1259667917 /nfs/dbraw/zinc/66/79/17/1259667917.db2.gz ZMKZHDRPBSUAPI-SJLPKXTDSA-N 2 1 358.490 0.099 20 0 FCADMP CC(C)C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452942 1259669046 /nfs/dbraw/zinc/66/90/46/1259669046.db2.gz RDNPMEAZZFBAQO-KSZLIROESA-N 2 1 354.539 0.608 20 0 FCADMP CC(C)C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452942 1259669052 /nfs/dbraw/zinc/66/90/52/1259669052.db2.gz RDNPMEAZZFBAQO-KSZLIROESA-N 2 1 354.539 0.608 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722668 1259669028 /nfs/dbraw/zinc/66/90/28/1259669028.db2.gz RXMOWLUUJRFBKW-SIXWZSSISA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246722668 1259669040 /nfs/dbraw/zinc/66/90/40/1259669040.db2.gz RXMOWLUUJRFBKW-SIXWZSSISA-N 2 1 374.489 0.200 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246737611 1259672183 /nfs/dbraw/zinc/67/21/83/1259672183.db2.gz JMFXYFISIJQFMM-LJQANCHMSA-N 2 1 357.458 0.473 20 0 FCADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246737611 1259672189 /nfs/dbraw/zinc/67/21/89/1259672189.db2.gz JMFXYFISIJQFMM-LJQANCHMSA-N 2 1 357.458 0.473 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC[NH2+]1 ZINC001246741002 1259675472 /nfs/dbraw/zinc/67/54/72/1259675472.db2.gz WRTPJQKQAUQXBI-YIOZNXECSA-N 2 1 359.474 0.970 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748141 1259680808 /nfs/dbraw/zinc/68/08/08/1259680808.db2.gz AOXJSTJGMUTZCG-XEIOYGOASA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)C[NH2+]1 ZINC001246748141 1259680816 /nfs/dbraw/zinc/68/08/16/1259680816.db2.gz AOXJSTJGMUTZCG-XEIOYGOASA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001246923214 1259694734 /nfs/dbraw/zinc/69/47/34/1259694734.db2.gz BKSPLOQHCWJHCO-HKUYNNGSSA-N 3 1 361.534 0.765 20 0 FCADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005757 1259696643 /nfs/dbraw/zinc/69/66/43/1259696643.db2.gz GGNSKEABLURJGA-ZNMIVQPWSA-N 2 1 367.490 0.533 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)c2)CC1 ZINC001247851347 1259706665 /nfs/dbraw/zinc/70/66/65/1259706665.db2.gz WOZIZRKBLPOWTA-PXNSSMCTSA-N 2 1 369.469 0.971 20 0 FCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335566838 1259720343 /nfs/dbraw/zinc/72/03/43/1259720343.db2.gz ARWBMXPLAGIVCO-MQOOWTBDSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001335566838 1259720347 /nfs/dbraw/zinc/72/03/47/1259720347.db2.gz ARWBMXPLAGIVCO-MQOOWTBDSA-N 2 1 361.534 0.985 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251302940 1259743546 /nfs/dbraw/zinc/74/35/46/1259743546.db2.gz GKJZMBNYTBKNBB-LJQANCHMSA-N 2 1 370.538 0.928 20 0 FCADMP OCC[NH+](CCO)CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252394219 1259783419 /nfs/dbraw/zinc/78/34/19/1259783419.db2.gz MCJOVPJTTLLLTF-GOSISDBHSA-N 2 1 362.470 0.846 20 0 FCADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252416791 1259785434 /nfs/dbraw/zinc/78/54/34/1259785434.db2.gz CUMSNBRCOKLSSU-ZJPYXAASSA-N 2 1 370.490 0.501 20 0 FCADMP COC(=O)[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001252422093 1259787418 /nfs/dbraw/zinc/78/74/18/1259787418.db2.gz QDKBPTGDWCICIB-KRWDZBQOSA-N 2 1 363.458 0.530 20 0 FCADMP CCCCOC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252507766 1259793999 /nfs/dbraw/zinc/79/39/99/1259793999.db2.gz QTWILPZISOTKFU-SFHVURJKSA-N 2 1 365.518 0.988 20 0 FCADMP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)[C@@H]2O1 ZINC001252943629 1259813208 /nfs/dbraw/zinc/81/32/08/1259813208.db2.gz JEPISDWKQNVWOQ-ZMIKWESLSA-N 2 1 362.470 0.866 20 0 FCADMP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)[C@@H]2O1 ZINC001252943629 1259813209 /nfs/dbraw/zinc/81/32/09/1259813209.db2.gz JEPISDWKQNVWOQ-ZMIKWESLSA-N 2 1 362.470 0.866 20 0 FCADMP CC[NH+](CC)C[C@H](O)CN1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001253185399 1259827035 /nfs/dbraw/zinc/82/70/35/1259827035.db2.gz QNQZHUPJBRWVTE-LNLFQRSKSA-N 2 1 371.522 0.417 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001253185301 1259827316 /nfs/dbraw/zinc/82/73/16/1259827316.db2.gz QFJHFWOQEOJHEW-MKXGPGLRSA-N 2 1 367.534 0.896 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185886 1259828876 /nfs/dbraw/zinc/82/88/76/1259828876.db2.gz JOKHSZRZNKALRT-PKOBYXMFSA-N 2 1 363.506 0.942 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185886 1259828886 /nfs/dbraw/zinc/82/88/86/1259828886.db2.gz JOKHSZRZNKALRT-PKOBYXMFSA-N 2 1 363.506 0.942 20 0 FCADMP O=C(C[NH+]1CCC(CO)CC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001335773293 1259833574 /nfs/dbraw/zinc/83/35/74/1259833574.db2.gz MJTZYABWKUWSRO-UHFFFAOYSA-N 2 1 353.507 0.842 20 0 FCADMP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253389112 1259837833 /nfs/dbraw/zinc/83/78/33/1259837833.db2.gz UPHWBLUSRXBPOO-FRQCXROJSA-N 2 1 371.522 0.464 20 0 FCADMP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253389114 1259838316 /nfs/dbraw/zinc/83/83/16/1259838316.db2.gz UPHWBLUSRXBPOO-GPMSIDNRSA-N 2 1 371.522 0.464 20 0 FCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N([C@@H](O)OC(C)(C)C)[C@H]2CC[N@@H+](C)C2)C1 ZINC001255424651 1259911571 /nfs/dbraw/zinc/91/15/71/1259911571.db2.gz ZKRVZRFIJXOUTL-QQCJEOGWSA-N 3 1 372.554 0.460 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001335952405 1259916546 /nfs/dbraw/zinc/91/65/46/1259916546.db2.gz URCNADFGROPRCC-SFHVURJKSA-N 2 1 374.485 0.331 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001335952405 1259916550 /nfs/dbraw/zinc/91/65/50/1259916550.db2.gz URCNADFGROPRCC-SFHVURJKSA-N 2 1 374.485 0.331 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340073 1259946699 /nfs/dbraw/zinc/94/66/99/1259946699.db2.gz PIGDKWPFMIFMIO-KZNAEPCWSA-N 2 1 369.506 0.293 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340073 1259946703 /nfs/dbraw/zinc/94/67/03/1259946703.db2.gz PIGDKWPFMIFMIO-KZNAEPCWSA-N 2 1 369.506 0.293 20 0 FCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001256340073 1259946705 /nfs/dbraw/zinc/94/67/05/1259946705.db2.gz PIGDKWPFMIFMIO-KZNAEPCWSA-N 2 1 369.506 0.293 20 0 FCADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001256494749 1259953489 /nfs/dbraw/zinc/95/34/89/1259953489.db2.gz PGZWQSLRKNYQMY-AGIUHOORSA-N 2 1 373.450 0.265 20 0 FCADMP COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256698638 1259956897 /nfs/dbraw/zinc/95/68/97/1259956897.db2.gz QLWATCZRGLTEPK-RYTJFDOTSA-N 2 1 368.474 0.914 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336174628 1260025213 /nfs/dbraw/zinc/02/52/13/1260025213.db2.gz FMWKBYXIXZAOPH-JKSUJKDBSA-N 2 1 368.522 0.632 20 0 FCADMP C[C@@H]1C[NH+](CCc2nnc(CC[NH+]3CCC(C(N)=O)CC3)o2)C[C@@H](C)O1 ZINC001258072925 1260034228 /nfs/dbraw/zinc/03/42/28/1260034228.db2.gz WMBQXUKVTLAKMU-ZIAGYGMSSA-N 2 1 365.478 0.461 20 0 FCADMP COC(=O)CC[C@H](C)[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001258372024 1260048030 /nfs/dbraw/zinc/04/80/30/1260048030.db2.gz UCYRFUOPYOBDGR-HNNXBMFYSA-N 2 1 361.490 0.971 20 0 FCADMP COC(=O)CC[C@H](C)[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001258372024 1260048038 /nfs/dbraw/zinc/04/80/38/1260048038.db2.gz UCYRFUOPYOBDGR-HNNXBMFYSA-N 2 1 361.490 0.971 20 0 FCADMP O=C1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)CCN1Cc1ccccc1 ZINC001258569347 1260055891 /nfs/dbraw/zinc/05/58/91/1260055891.db2.gz ULLKAUACDVAOLP-IBGZPJMESA-N 2 1 363.502 0.834 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]2C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC001331973661 1266310794 /nfs/dbraw/zinc/31/07/94/1266310794.db2.gz QQWHSJOQMVVDMR-BRSBDYLESA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H]1CC[NH3+] ZINC001336820900 1260230044 /nfs/dbraw/zinc/23/00/44/1260230044.db2.gz WRVAOIXKBXRYAB-FGTMMUONSA-N 2 1 367.538 0.552 20 0 FCADMP C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H]1CC[NH3+] ZINC001336820903 1260230931 /nfs/dbraw/zinc/23/09/31/1260230931.db2.gz WRVAOIXKBXRYAB-SQNIBIBYSA-N 2 1 367.538 0.552 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825775 1260231490 /nfs/dbraw/zinc/23/14/90/1260231490.db2.gz HYFWOAZNEIBEKU-RHSMWYFYSA-N 2 1 371.428 0.767 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1=O ZINC001336829532 1260232411 /nfs/dbraw/zinc/23/24/11/1260232411.db2.gz DBDFIFXODVUGCW-CZUORRHYSA-N 2 1 371.428 0.767 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC001336990772 1260277707 /nfs/dbraw/zinc/27/77/07/1260277707.db2.gz PAMYPEZRCYKIFG-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001336989605 1260277862 /nfs/dbraw/zinc/27/78/62/1260277862.db2.gz HPDOQJHWOXLERM-INIZCTEOSA-N 2 1 365.522 0.572 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024551 1260288044 /nfs/dbraw/zinc/28/80/44/1260288044.db2.gz UFRLTRMTSLRWTC-CHWSQXEVSA-N 2 1 351.417 0.606 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001337077876 1260303201 /nfs/dbraw/zinc/30/32/01/1260303201.db2.gz MICVNEYAEARSHJ-IRXDYDNUSA-N 2 1 350.507 0.289 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)[nH+]1 ZINC001262550687 1260326588 /nfs/dbraw/zinc/32/65/88/1260326588.db2.gz ACCPAGXECOKIHV-OAHLLOKOSA-N 2 1 359.474 0.909 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)CC1 ZINC001263100770 1260339986 /nfs/dbraw/zinc/33/99/86/1260339986.db2.gz XUVDYBWQHJFRCY-UHFFFAOYSA-N 2 1 363.462 0.424 20 0 FCADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001263103235 1260342268 /nfs/dbraw/zinc/34/22/68/1260342268.db2.gz SVUKZCIEJQRLBO-HXUWFJFHSA-N 2 1 373.545 0.604 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@H](C)C1 ZINC001337387446 1260387279 /nfs/dbraw/zinc/38/72/79/1260387279.db2.gz NJWMSJOLPTYSFX-QXSJWSMHSA-N 2 1 354.495 0.188 20 0 FCADMP CCc1[nH+]ccn1CC(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001272623904 1260464675 /nfs/dbraw/zinc/46/46/75/1260464675.db2.gz KMGWDXJMEULZLK-IFXJQAMLSA-N 2 1 359.474 0.647 20 0 FCADMP COc1ncnc(OC)c1C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277761210 1260666755 /nfs/dbraw/zinc/66/67/55/1260666755.db2.gz AVRQHGFKHQTBOU-GOSISDBHSA-N 2 1 363.462 0.480 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001278464892 1260695151 /nfs/dbraw/zinc/69/51/51/1260695151.db2.gz ZRYNVVTWHUKXEJ-QYZOEREBSA-N 2 1 363.502 0.809 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001278464892 1260695160 /nfs/dbraw/zinc/69/51/60/1260695160.db2.gz ZRYNVVTWHUKXEJ-QYZOEREBSA-N 2 1 363.502 0.809 20 0 FCADMP c1cn(CCN2CCO[C@H]3C[N@@H+](Cc4c[nH]c5ncncc45)C[C@@H]32)cn1 ZINC001278887719 1260751331 /nfs/dbraw/zinc/75/13/31/1260751331.db2.gz FPGWYEFHWIROAB-IRXDYDNUSA-N 2 1 353.430 0.691 20 0 FCADMP c1cn(CCN2CCO[C@H]3CN(Cc4c[nH]c5ncncc45)C[C@@H]32)cn1 ZINC001278887719 1260751337 /nfs/dbraw/zinc/75/13/37/1260751337.db2.gz FPGWYEFHWIROAB-IRXDYDNUSA-N 2 1 353.430 0.691 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccn4)CC3)[C@H]2C1 ZINC001279172345 1260797133 /nfs/dbraw/zinc/79/71/33/1260797133.db2.gz ATOPGVDHQVDJFC-ROUUACIJSA-N 2 1 357.502 0.656 20 0 FCADMP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC2(C1)C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001279309127 1260834205 /nfs/dbraw/zinc/83/42/05/1260834205.db2.gz NXGOMNLADODNEB-AWEZNQCLSA-N 2 1 359.430 0.016 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)CC1 ZINC001279509346 1260881995 /nfs/dbraw/zinc/88/19/95/1260881995.db2.gz YVPOBGMWUBBRJY-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccnc(N4CCOCC4)c3)[C@@H]2C1 ZINC001279668586 1260910501 /nfs/dbraw/zinc/91/05/01/1260910501.db2.gz WXKMLUAPJVUGSO-RBUKOAKNSA-N 2 1 359.518 0.986 20 0 FCADMP COC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)cn1C ZINC001279710165 1260918391 /nfs/dbraw/zinc/91/83/91/1260918391.db2.gz RTWDYESZSZISHV-HUUCEWRRSA-N 2 1 360.458 0.454 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@H]2COCCC23C[NH+](Cc2cccnn2)C3)CC1 ZINC001279854683 1260943783 /nfs/dbraw/zinc/94/37/83/1260943783.db2.gz SMLAHGVMGPBAFY-KRWDZBQOSA-N 2 1 359.474 0.526 20 0 FCADMP Cc1n[nH]cc1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279863389 1260946779 /nfs/dbraw/zinc/94/67/79/1260946779.db2.gz RKUIBTYNASUSSN-CRAIPNDOSA-N 2 1 357.462 0.937 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C[C@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892305 1260953449 /nfs/dbraw/zinc/95/34/49/1260953449.db2.gz FUDUBUKMJDIFPR-CRAIPNDOSA-N 2 1 361.490 0.877 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C4CCN(C)CC4)CC3)[C@@H]2C1 ZINC001280070922 1260989367 /nfs/dbraw/zinc/98/93/67/1260989367.db2.gz FVFOHVOOFVWFBT-QZTJIDSGSA-N 2 1 363.550 0.155 20 0 FCADMP COCOCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280089278 1260996161 /nfs/dbraw/zinc/99/61/61/1260996161.db2.gz SNBBWAQBXHOCAO-CRAIPNDOSA-N 2 1 365.478 0.716 20 0 FCADMP COCOCCC[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280090605 1260996766 /nfs/dbraw/zinc/99/67/66/1260996766.db2.gz WNSJGGHYFHKOFG-NXHRZFHOSA-N 2 1 369.506 0.687 20 0 FCADMP C[NH+]1CCC(C[NH+]2CC3(C2)CC[C@@H](C(=O)N2CC4(CC(O)C4)C2)O3)CC1 ZINC001280126262 1261011791 /nfs/dbraw/zinc/01/17/91/1261011791.db2.gz UZOKWGFDEKHKQE-KRWDZBQOSA-N 2 1 363.502 0.545 20 0 FCADMP CN(C)C(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@]12c1ccccc1NC2=O ZINC001280138373 1261014536 /nfs/dbraw/zinc/01/45/36/1261014536.db2.gz XHHGFTUUEIZORI-OXJNMPFZSA-N 2 1 356.470 0.896 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213805 1261035562 /nfs/dbraw/zinc/03/55/62/1261035562.db2.gz SDGQJVONQIAVPB-XWTMOSNGSA-N 2 1 362.518 0.905 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)[C@@H]2C1 ZINC001280227941 1261040567 /nfs/dbraw/zinc/04/05/67/1261040567.db2.gz MDKYPMCXYZELAT-BZUAXINKSA-N 2 1 357.454 0.969 20 0 FCADMP C[N@H+]1C[C@@H]2C(C(=O)N3CCC(COCC[NH+]4CCCC4)CC3)=NO[C@@H]2C1 ZINC001280241164 1261041259 /nfs/dbraw/zinc/04/12/59/1261041259.db2.gz GXILKTPQDMPJDS-DLBZAZTESA-N 2 1 364.490 0.654 20 0 FCADMP C[N@@H+]1C[C@@H]2C(C(=O)N3CCC(COCC[NH+]4CCCC4)CC3)=NO[C@@H]2C1 ZINC001280241164 1261041261 /nfs/dbraw/zinc/04/12/61/1261041261.db2.gz GXILKTPQDMPJDS-DLBZAZTESA-N 2 1 364.490 0.654 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(=O)N(C)C)CC1 ZINC001280251499 1261041978 /nfs/dbraw/zinc/04/19/78/1261041978.db2.gz WNULYVXYSZPRGP-IZZQQSIFSA-N 2 1 364.534 0.881 20 0 FCADMP Cc1nc[nH]c1C[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280345097 1261060264 /nfs/dbraw/zinc/06/02/64/1261060264.db2.gz XXYQBFNDACTGGB-HFTRVMKXSA-N 2 1 361.490 0.908 20 0 FCADMP [NH3+]CCCCn1c(-c2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001580294942 1278101853 /nfs/dbraw/zinc/10/18/53/1278101853.db2.gz PGPDLLQFVHDUIE-OAHLLOKOSA-N 2 1 357.462 0.600 20 0 FCADMP [NH3+]CCCCn1c(-c2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001580294942 1278101844 /nfs/dbraw/zinc/10/18/44/1278101844.db2.gz PGPDLLQFVHDUIE-OAHLLOKOSA-N 2 1 357.462 0.600 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CC[NH+]1CCOCC1 ZINC001292005628 1262629390 /nfs/dbraw/zinc/62/93/90/1262629390.db2.gz ZZLXMWOIPOALRF-QGZVFWFLSA-N 2 1 369.506 0.975 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CC[NH+]1CCOCC1 ZINC001292005628 1262629399 /nfs/dbraw/zinc/62/93/99/1262629399.db2.gz ZZLXMWOIPOALRF-QGZVFWFLSA-N 2 1 369.506 0.975 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301916122 1263026314 /nfs/dbraw/zinc/02/63/14/1263026314.db2.gz VMPGDYPWNAJEDG-HOTGVXAUSA-N 2 1 366.510 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001479368906 1263187585 /nfs/dbraw/zinc/18/75/85/1263187585.db2.gz KYCNLSXKYCIYOI-MWQQHZPXSA-N 2 1 350.507 0.727 20 0 FCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001312013343 1263270114 /nfs/dbraw/zinc/27/01/14/1263270114.db2.gz RCVRURQXNJWFBA-ROUUACIJSA-N 2 1 368.522 0.776 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001479673215 1263334706 /nfs/dbraw/zinc/33/47/06/1263334706.db2.gz XEJSLKJFNZENBC-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001479673215 1263334714 /nfs/dbraw/zinc/33/47/14/1263334714.db2.gz XEJSLKJFNZENBC-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001479673215 1263334724 /nfs/dbraw/zinc/33/47/24/1263334724.db2.gz XEJSLKJFNZENBC-SJORKVTESA-N 2 1 350.507 0.635 20 0 FCADMP COCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001316130845 1263372090 /nfs/dbraw/zinc/37/20/90/1263372090.db2.gz YMQFMHDOPCQCIG-HNNXBMFYSA-N 2 1 361.494 0.992 20 0 FCADMP Cc1cccnc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479930729 1263417974 /nfs/dbraw/zinc/41/79/74/1263417974.db2.gz MULLIAHHFYONGE-QZTJIDSGSA-N 2 1 359.518 0.964 20 0 FCADMP Cc1cccnc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479930729 1263417978 /nfs/dbraw/zinc/41/79/78/1263417978.db2.gz MULLIAHHFYONGE-QZTJIDSGSA-N 2 1 359.518 0.964 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316761086 1263465913 /nfs/dbraw/zinc/46/59/13/1263465913.db2.gz PWNZCVKWQFBGIQ-UAGQMJEPSA-N 2 1 361.490 0.887 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316761086 1263465915 /nfs/dbraw/zinc/46/59/15/1263465915.db2.gz PWNZCVKWQFBGIQ-UAGQMJEPSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001484742878 1263485197 /nfs/dbraw/zinc/48/51/97/1263485197.db2.gz QWUNKAZNRBMRDF-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC001484742878 1263485201 /nfs/dbraw/zinc/48/52/01/1263485201.db2.gz QWUNKAZNRBMRDF-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC001484742878 1263485205 /nfs/dbraw/zinc/48/52/05/1263485205.db2.gz QWUNKAZNRBMRDF-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1C ZINC001484954942 1263493210 /nfs/dbraw/zinc/49/32/10/1263493210.db2.gz OPNMHDAGJHFMJU-NVXWUHKLSA-N 2 1 363.506 0.512 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385624 1278207066 /nfs/dbraw/zinc/20/70/66/1278207066.db2.gz QSJSVFIJSOKBII-HZSPNIEDSA-N 2 1 370.461 0.284 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001320006445 1263753303 /nfs/dbraw/zinc/75/33/03/1263753303.db2.gz WOQMXFLFHGHCQO-VPLLLXJESA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001320006445 1263753312 /nfs/dbraw/zinc/75/33/12/1263753312.db2.gz WOQMXFLFHGHCQO-VPLLLXJESA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001320006445 1263753315 /nfs/dbraw/zinc/75/33/15/1263753315.db2.gz WOQMXFLFHGHCQO-VPLLLXJESA-N 2 1 364.534 0.929 20 0 FCADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494597832 1263775459 /nfs/dbraw/zinc/77/54/59/1263775459.db2.gz VEUIXBZTEYQVSC-QRVBRYPASA-N 2 1 361.486 0.387 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC001320952849 1263885864 /nfs/dbraw/zinc/88/58/64/1263885864.db2.gz OMAVHHLGBDPFNJ-ZIAGYGMSSA-N 2 1 362.478 0.687 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)CC1 ZINC001321082125 1263904019 /nfs/dbraw/zinc/90/40/19/1263904019.db2.gz YAXSXHFBLLMWCZ-GDBMZVCRSA-N 2 1 374.489 0.831 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001321851412 1264081027 /nfs/dbraw/zinc/08/10/27/1264081027.db2.gz XTYPVTRWIRADBH-HNNXBMFYSA-N 2 1 370.457 0.602 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001322042325 1264135953 /nfs/dbraw/zinc/13/59/53/1264135953.db2.gz YRTNWZUUWVDVOK-AWEZNQCLSA-N 2 1 356.430 0.585 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001322103066 1264146877 /nfs/dbraw/zinc/14/68/77/1264146877.db2.gz HVDMKNZMYUUTHW-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N(C)CC3CC3)CCC2)CC[N@H+]1C ZINC001501952080 1264157249 /nfs/dbraw/zinc/15/72/49/1264157249.db2.gz IXCNBLFBCCKOMU-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC001322208235 1264166850 /nfs/dbraw/zinc/16/68/50/1264166850.db2.gz NHJUHHRTTHZOEI-UHFFFAOYSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001322236955 1264171000 /nfs/dbraw/zinc/17/10/00/1264171000.db2.gz FSVPYSAVPDHSBE-UHFFFAOYSA-N 2 1 373.461 0.800 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001322314927 1264181019 /nfs/dbraw/zinc/18/10/19/1264181019.db2.gz KQVPVCJYLKAQSH-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001322314927 1264181024 /nfs/dbraw/zinc/18/10/24/1264181024.db2.gz KQVPVCJYLKAQSH-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001322736162 1264253056 /nfs/dbraw/zinc/25/30/56/1264253056.db2.gz VYMBMMVAZNAGMM-GOSISDBHSA-N 2 1 374.533 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CC[NH+]3CCCCC3)CC2)CC[N@H+]1C ZINC001506083787 1264289506 /nfs/dbraw/zinc/28/95/06/1264289506.db2.gz FTIMBWVBMZKGDT-HZPDHXFCSA-N 2 1 350.507 0.968 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001324269366 1264607560 /nfs/dbraw/zinc/60/75/60/1264607560.db2.gz ZRJHGXGKFVWBLF-DOTOQJQBSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001512954961 1264769507 /nfs/dbraw/zinc/76/95/07/1264769507.db2.gz KZOWHLIMKRFXIV-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001327720261 1265403778 /nfs/dbraw/zinc/40/37/78/1265403778.db2.gz GQDGHEUFTMDMTE-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001327720261 1265403784 /nfs/dbraw/zinc/40/37/84/1265403784.db2.gz GQDGHEUFTMDMTE-QZTJIDSGSA-N 2 1 358.486 0.787 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332673246 1266458462 /nfs/dbraw/zinc/45/84/62/1266458462.db2.gz SXDGCCSHDHSTHV-FCEWJHQRSA-N 2 1 366.506 0.047 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC([NH+](C)CCCO)CC1 ZINC001333703733 1266683430 /nfs/dbraw/zinc/68/34/30/1266683430.db2.gz RLDMMQSARBNKAR-INIZCTEOSA-N 2 1 351.499 0.440 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCC([N@H+](C)CCCO)CC1 ZINC001333703733 1266683435 /nfs/dbraw/zinc/68/34/35/1266683435.db2.gz RLDMMQSARBNKAR-INIZCTEOSA-N 2 1 351.499 0.440 20 0 FCADMP CC[NH+]1CCC[C@H]1Cn1nnnc1N1CCC([N@@H+](C)CCCO)CC1 ZINC001333703733 1266683437 /nfs/dbraw/zinc/68/34/37/1266683437.db2.gz RLDMMQSARBNKAR-INIZCTEOSA-N 2 1 351.499 0.440 20 0 FCADMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC2(CCC2)C1 ZINC001333732347 1266695679 /nfs/dbraw/zinc/69/56/79/1266695679.db2.gz MLLMFAGWXGABSM-MRXNPFEDSA-N 2 1 350.507 0.561 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001334178242 1266868870 /nfs/dbraw/zinc/86/88/70/1266868870.db2.gz ANLHLDZVPXSHFF-QGZVFWFLSA-N 2 1 359.474 0.164 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001528046794 1266941175 /nfs/dbraw/zinc/94/11/75/1266941175.db2.gz SYQTWIVSCWGFHP-IEBWSBKVSA-N 2 1 363.550 0.392 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001528099762 1266944131 /nfs/dbraw/zinc/94/41/31/1266944131.db2.gz FGUJMXJOIYCCKR-ROUUACIJSA-N 2 1 363.550 0.251 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001529430757 1267061139 /nfs/dbraw/zinc/06/11/39/1267061139.db2.gz UWJUJQXIJQXGLS-BZUAXINKSA-N 2 1 361.490 0.973 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001580447361 1278311467 /nfs/dbraw/zinc/31/14/67/1278311467.db2.gz YCOCYUWFQQBNCF-STQMWFEESA-N 2 1 358.450 0.284 20 0 FCADMP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001335093732 1267332241 /nfs/dbraw/zinc/33/22/41/1267332241.db2.gz SWAODRZOGCEBRU-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001335138922 1267358719 /nfs/dbraw/zinc/35/87/19/1267358719.db2.gz YPONVKIPSXUOIK-HLLBOEOZSA-N 2 1 357.458 0.281 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001542692049 1267504579 /nfs/dbraw/zinc/50/45/79/1267504579.db2.gz UDDNFYMMLIKQTG-ZWKOTPCHSA-N 3 1 354.539 0.829 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001542692049 1267504583 /nfs/dbraw/zinc/50/45/83/1267504583.db2.gz UDDNFYMMLIKQTG-ZWKOTPCHSA-N 2 1 354.539 0.829 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001542692049 1267504593 /nfs/dbraw/zinc/50/45/93/1267504593.db2.gz UDDNFYMMLIKQTG-ZWKOTPCHSA-N 2 1 354.539 0.829 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001544912194 1267597292 /nfs/dbraw/zinc/59/72/92/1267597292.db2.gz RPIPQYHKLMBIJS-KRWDZBQOSA-N 2 1 368.441 0.822 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001544912194 1267597296 /nfs/dbraw/zinc/59/72/96/1267597296.db2.gz RPIPQYHKLMBIJS-KRWDZBQOSA-N 2 1 368.441 0.822 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC001549134808 1267820225 /nfs/dbraw/zinc/82/02/25/1267820225.db2.gz SAYFUSSZMFOUEO-VIPLHTEESA-N 2 1 362.518 0.907 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549364197 1267910406 /nfs/dbraw/zinc/91/04/06/1267910406.db2.gz IDTILQJGSXMHJG-VQHPVUNQSA-N 2 1 364.490 0.090 20 0 FCADMP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549364197 1267910410 /nfs/dbraw/zinc/91/04/10/1267910410.db2.gz IDTILQJGSXMHJG-VQHPVUNQSA-N 2 1 364.490 0.090 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])c1 ZINC001549737019 1267982986 /nfs/dbraw/zinc/98/29/86/1267982986.db2.gz BZZRBXXZMSTDHO-AOIWGVFYSA-N 2 1 369.469 0.574 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]2[NH3+])c1 ZINC001549737019 1267982995 /nfs/dbraw/zinc/98/29/95/1267982995.db2.gz BZZRBXXZMSTDHO-AOIWGVFYSA-N 2 1 369.469 0.574 20 0 FCADMP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001549742379 1267984808 /nfs/dbraw/zinc/98/48/08/1267984808.db2.gz TVTFCMBIMMGUKO-IAGOWNOFSA-N 2 1 354.458 0.931 20 0 FCADMP c1nn2c(c1C[N@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CNCC2 ZINC001549754968 1267989285 /nfs/dbraw/zinc/98/92/85/1267989285.db2.gz XPEIJHGLELTPOA-OAHLLOKOSA-N 2 1 370.505 0.499 20 0 FCADMP c1nn2c(c1C[N@@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)C[NH2+]CC2 ZINC001549754968 1267989295 /nfs/dbraw/zinc/98/92/95/1267989295.db2.gz XPEIJHGLELTPOA-OAHLLOKOSA-N 3 1 370.505 0.499 20 0 FCADMP c1nn2c(c1C[N@H+]1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)C[NH2+]CC2 ZINC001549754968 1267989303 /nfs/dbraw/zinc/98/93/03/1267989303.db2.gz XPEIJHGLELTPOA-OAHLLOKOSA-N 3 1 370.505 0.499 20 0 FCADMP O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338695963 1268046280 /nfs/dbraw/zinc/04/62/80/1268046280.db2.gz JODMSZAIARBFAV-MWIANEHASA-N 2 1 364.490 0.401 20 0 FCADMP CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC[N@H+]1C ZINC001550064374 1268068381 /nfs/dbraw/zinc/06/83/81/1268068381.db2.gz FGFNUDDPOAPOSR-VQHPVUNQSA-N 2 1 363.506 0.463 20 0 FCADMP C[C@H](CCC(=O)NC[C@@H]1CC[N@@H+](C)C1)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC001338824620 1268102150 /nfs/dbraw/zinc/10/21/50/1268102150.db2.gz NPZIPIRLXHSUPZ-IKGGRYGDSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@@H]1CC[NH+](C)C1)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001338824620 1268102157 /nfs/dbraw/zinc/10/21/57/1268102157.db2.gz NPZIPIRLXHSUPZ-IKGGRYGDSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](CCC(=O)NC[C@@H]1CC[NH+](C)C1)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001338824620 1268102161 /nfs/dbraw/zinc/10/21/61/1268102161.db2.gz NPZIPIRLXHSUPZ-IKGGRYGDSA-N 2 1 352.523 0.929 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC001550409735 1268113094 /nfs/dbraw/zinc/11/30/94/1268113094.db2.gz FCSWFWHRNGRTLD-MTNOOBJLSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC001550409735 1268113098 /nfs/dbraw/zinc/11/30/98/1268113098.db2.gz FCSWFWHRNGRTLD-MTNOOBJLSA-N 2 1 353.507 0.933 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC001550409735 1268113100 /nfs/dbraw/zinc/11/31/00/1268113100.db2.gz FCSWFWHRNGRTLD-MTNOOBJLSA-N 2 1 353.507 0.933 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001550478238 1268124866 /nfs/dbraw/zinc/12/48/66/1268124866.db2.gz MHWSUPYCDPQBCJ-DWRORGKVSA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001550484893 1268127468 /nfs/dbraw/zinc/12/74/68/1268127468.db2.gz MFHGDEAXETVDQY-BOSXTWCSSA-N 2 1 367.534 0.941 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486075 1268127937 /nfs/dbraw/zinc/12/79/37/1268127937.db2.gz IMERFLQSFPZHNK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486075 1268127939 /nfs/dbraw/zinc/12/79/39/1268127939.db2.gz IMERFLQSFPZHNK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486075 1268127943 /nfs/dbraw/zinc/12/79/43/1268127943.db2.gz IMERFLQSFPZHNK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486075 1268127944 /nfs/dbraw/zinc/12/79/44/1268127944.db2.gz IMERFLQSFPZHNK-NWBNHEMOSA-N 2 1 353.507 0.692 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550542137 1268129828 /nfs/dbraw/zinc/12/98/28/1268129828.db2.gz LHQOSZLEYZJSGF-IKGGRYGDSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550542137 1268129831 /nfs/dbraw/zinc/12/98/31/1268129831.db2.gz LHQOSZLEYZJSGF-IKGGRYGDSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550542137 1268129834 /nfs/dbraw/zinc/12/98/34/1268129834.db2.gz LHQOSZLEYZJSGF-IKGGRYGDSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550542136 1268130521 /nfs/dbraw/zinc/13/05/21/1268130521.db2.gz LHQOSZLEYZJSGF-BRWVUGGUSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550542136 1268130524 /nfs/dbraw/zinc/13/05/24/1268130524.db2.gz LHQOSZLEYZJSGF-BRWVUGGUSA-N 2 1 358.490 0.397 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550542136 1268130526 /nfs/dbraw/zinc/13/05/26/1268130526.db2.gz LHQOSZLEYZJSGF-BRWVUGGUSA-N 2 1 358.490 0.397 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001550541162 1268130552 /nfs/dbraw/zinc/13/05/52/1268130552.db2.gz RQTXJYRNWYQCJM-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001550541162 1268130553 /nfs/dbraw/zinc/13/05/53/1268130553.db2.gz RQTXJYRNWYQCJM-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001550541162 1268130561 /nfs/dbraw/zinc/13/05/61/1268130561.db2.gz RQTXJYRNWYQCJM-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001550541162 1268130567 /nfs/dbraw/zinc/13/05/67/1268130567.db2.gz RQTXJYRNWYQCJM-MSOLQXFVSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001550595387 1268138879 /nfs/dbraw/zinc/13/88/79/1268138879.db2.gz IRMYGKBXMAKGKU-SJORKVTESA-N 2 1 351.491 0.857 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550725089 1268155500 /nfs/dbraw/zinc/15/55/00/1268155500.db2.gz YYJSVBBREHZILA-YDRHNJASSA-N 2 1 361.490 0.781 20 0 FCADMP [NH3+][C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC12CCC2 ZINC001550731679 1268157365 /nfs/dbraw/zinc/15/73/65/1268157365.db2.gz OGMZDMDUBTXNQI-HNNXBMFYSA-N 2 1 352.479 0.391 20 0 FCADMP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001550730296 1268157470 /nfs/dbraw/zinc/15/74/70/1268157470.db2.gz FCLZOWYZNGKBLD-CVEARBPZSA-N 2 1 354.495 0.413 20 0 FCADMP CO[C@@H]1C[C@H](C[NH3+])N(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001550743533 1268160350 /nfs/dbraw/zinc/16/03/50/1268160350.db2.gz LVJKRVBFKYDDLS-WCVJEAGWSA-N 2 1 352.479 0.387 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cs1 ZINC001550911782 1268184607 /nfs/dbraw/zinc/18/46/07/1268184607.db2.gz DMVRODNURSINLL-UKRRQHHQSA-N 2 1 351.476 0.838 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001339205876 1268185978 /nfs/dbraw/zinc/18/59/78/1268185978.db2.gz FCDOOFSBGUDKFV-SFHVURJKSA-N 2 1 358.486 0.979 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@@H](C)[NH+]1CCO ZINC001550979692 1268187678 /nfs/dbraw/zinc/18/76/78/1268187678.db2.gz CLAMSNCWWRHSQK-BFYDXBDKSA-N 2 1 354.495 0.336 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551283647 1268223381 /nfs/dbraw/zinc/22/33/81/1268223381.db2.gz USPFIETXCFXRHS-VJFUWPCTSA-N 2 1 354.495 0.386 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001339417226 1268233025 /nfs/dbraw/zinc/23/30/25/1268233025.db2.gz ROUPMBPEOKXAAW-KRWDZBQOSA-N 2 1 365.522 0.809 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556709 1268268839 /nfs/dbraw/zinc/26/88/39/1268268839.db2.gz STKBQELHMZQHPZ-VYDXJSESSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551559862 1268270677 /nfs/dbraw/zinc/27/06/77/1268270677.db2.gz JTTDLLYBXBTDPJ-BPLDGKMQSA-N 2 1 363.428 0.464 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@H](C)[N@@H+]1C ZINC001551563824 1268272438 /nfs/dbraw/zinc/27/24/38/1268272438.db2.gz SBQUPSXXQDQPQK-IARIHHJXSA-N 2 1 351.495 0.367 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551576869 1268275224 /nfs/dbraw/zinc/27/52/24/1268275224.db2.gz KKYNCUGGTNHIJO-UXLLHSPISA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551585364 1268279962 /nfs/dbraw/zinc/27/99/62/1268279962.db2.gz ATUZEOSQUKVIKA-NYCLONFESA-N 2 1 365.522 0.757 20 0 FCADMP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001551593012 1268281000 /nfs/dbraw/zinc/28/10/00/1268281000.db2.gz NUFCXDDIXDMMBH-XYJFISCASA-N 2 1 363.506 0.513 20 0 FCADMP CO[C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551939477 1268317596 /nfs/dbraw/zinc/31/75/96/1268317596.db2.gz MVIUDVCQTAJWDK-GJZGRUSLSA-N 2 1 362.478 0.501 20 0 FCADMP CO[C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)[nH+]cn2)C1 ZINC001551942844 1268319760 /nfs/dbraw/zinc/31/97/60/1268319760.db2.gz YTCQIBSXJKNSCW-CABCVRRESA-N 2 1 374.489 0.645 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC001339854653 1268348971 /nfs/dbraw/zinc/34/89/71/1268348971.db2.gz IPFGLNATURTLKA-IIDMSEBBSA-N 2 1 372.469 0.922 20 0 FCADMP Cn1cc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552093952 1268370031 /nfs/dbraw/zinc/37/00/31/1268370031.db2.gz CIPKZDZYNKABEO-CVEARBPZSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cc([C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])cn1 ZINC001552093952 1268370039 /nfs/dbraw/zinc/37/00/39/1268370039.db2.gz CIPKZDZYNKABEO-CVEARBPZSA-N 2 1 374.514 0.976 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552109589 1268376699 /nfs/dbraw/zinc/37/66/99/1268376699.db2.gz VFBXBTQHMVNUIE-GVDBMIGSSA-N 2 1 354.495 0.384 20 0 FCADMP CC[NH+]1CCC(N2CCCN(c3nnc(C[C@@H](C)O)n3C)CC2)CC1 ZINC001339978837 1268394196 /nfs/dbraw/zinc/39/41/96/1268394196.db2.gz HKHZLYINNGVPCF-OAHLLOKOSA-N 2 1 350.511 0.735 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC001552167303 1268399188 /nfs/dbraw/zinc/39/91/88/1268399188.db2.gz YNTWLHVJEOHONT-SZMVWBNQSA-N 2 1 363.506 0.505 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)nn1 ZINC001552167759 1268400079 /nfs/dbraw/zinc/40/00/79/1268400079.db2.gz IKGOPAWRIOVQFB-YQQAZPJKSA-N 2 1 373.461 0.176 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552200708 1268408168 /nfs/dbraw/zinc/40/81/68/1268408168.db2.gz UJJJOHRRNCOLSP-HNAYVOBHSA-N 2 1 358.442 0.249 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)oc1C ZINC001552201851 1268408677 /nfs/dbraw/zinc/40/86/77/1268408677.db2.gz ZRANRIJOKDUWIL-VQIMIIECSA-N 2 1 362.474 0.856 20 0 FCADMP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCN(Cc2ccccc2)CC1 ZINC001552205524 1268409419 /nfs/dbraw/zinc/40/94/19/1268409419.db2.gz ZQDJGMVBGAFXQZ-FXAWDEMLSA-N 2 1 358.486 0.332 20 0 FCADMP CN1CC[NH+](Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552202571 1268409461 /nfs/dbraw/zinc/40/94/61/1268409461.db2.gz KCCOHLKPUCBFKA-UYAOXDASSA-N 2 1 358.486 0.286 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111433 1268438537 /nfs/dbraw/zinc/43/85/37/1268438537.db2.gz CAWGPQRNYZRSDH-FPOVZHCZSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111433 1268438540 /nfs/dbraw/zinc/43/85/40/1268438540.db2.gz CAWGPQRNYZRSDH-FPOVZHCZSA-N 2 1 374.529 0.986 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111433 1268438545 /nfs/dbraw/zinc/43/85/45/1268438545.db2.gz CAWGPQRNYZRSDH-FPOVZHCZSA-N 2 1 374.529 0.986 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435276 1268462520 /nfs/dbraw/zinc/46/25/20/1268462520.db2.gz CXTVTEHMIDXUIX-GDBMZVCRSA-N 2 1 361.494 0.019 20 0 FCADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435276 1268462526 /nfs/dbraw/zinc/46/25/26/1268462526.db2.gz CXTVTEHMIDXUIX-GDBMZVCRSA-N 2 1 361.494 0.019 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21 ZINC001552698801 1268523411 /nfs/dbraw/zinc/52/34/11/1268523411.db2.gz VAJFKFORAVFQKG-GOEBONIOSA-N 2 1 359.474 0.717 20 0 FCADMP C[NH+](C)C[C@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C[C@@H]1C[NH+](C)C ZINC001552699571 1268524097 /nfs/dbraw/zinc/52/40/97/1268524097.db2.gz PFZWXBKIXOHFNC-HOTGVXAUSA-N 3 1 362.522 0.688 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552711337 1268529675 /nfs/dbraw/zinc/52/96/75/1268529675.db2.gz YBFQGOZIIPMOKQ-IXDOHACOSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001552711337 1268529681 /nfs/dbraw/zinc/52/96/81/1268529681.db2.gz YBFQGOZIIPMOKQ-IXDOHACOSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552711337 1268529687 /nfs/dbraw/zinc/52/96/87/1268529687.db2.gz YBFQGOZIIPMOKQ-IXDOHACOSA-N 2 1 361.490 0.686 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552711337 1268529692 /nfs/dbraw/zinc/52/96/92/1268529692.db2.gz YBFQGOZIIPMOKQ-IXDOHACOSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC001552710789 1268531110 /nfs/dbraw/zinc/53/11/10/1268531110.db2.gz QINWHHVJIIKNAJ-QGZVFWFLSA-N 2 1 363.506 0.791 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC001552710789 1268531114 /nfs/dbraw/zinc/53/11/14/1268531114.db2.gz QINWHHVJIIKNAJ-QGZVFWFLSA-N 2 1 363.506 0.791 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)C1 ZINC001552800243 1268549959 /nfs/dbraw/zinc/54/99/59/1268549959.db2.gz XSYCXHVAKMDPDN-BRWVUGGUSA-N 2 1 363.510 0.895 20 0 FCADMP C[NH+](C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1ccnn1 ZINC001552801991 1268551077 /nfs/dbraw/zinc/55/10/77/1268551077.db2.gz XBRQCNMCWNPPHD-QHEDDYRISA-N 2 1 361.494 0.790 20 0 FCADMP Cn1cc([C@@H]2[C@@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCC[NH+]2C)cn1 ZINC001552976179 1268572088 /nfs/dbraw/zinc/57/20/88/1268572088.db2.gz OPOVONCGQKJUML-QAPCUYQASA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@@H]2[C@@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@@H+]2C)cn1 ZINC001552976179 1268572093 /nfs/dbraw/zinc/57/20/93/1268572093.db2.gz OPOVONCGQKJUML-QAPCUYQASA-N 2 1 362.522 0.413 20 0 FCADMP Cn1cc([C@@H]2[C@@H](CNC(=O)C3CN(C)CC[NH+](C)C3)CCC[N@H+]2C)cn1 ZINC001552976179 1268572097 /nfs/dbraw/zinc/57/20/97/1268572097.db2.gz OPOVONCGQKJUML-QAPCUYQASA-N 2 1 362.522 0.413 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553406528 1268645075 /nfs/dbraw/zinc/64/50/75/1268645075.db2.gz IJPLUUHFPXWEMM-FGTMMUONSA-N 2 1 372.469 0.210 20 0 FCADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405048 1268646132 /nfs/dbraw/zinc/64/61/32/1268646132.db2.gz CVAPQVPJHCWVRT-FHWLQOOXSA-N 2 1 358.486 0.570 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553430594 1268648231 /nfs/dbraw/zinc/64/82/31/1268648231.db2.gz BNIJKBMAVCSVHY-HZPDHXFCSA-N 2 1 365.522 0.618 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553451406 1268653285 /nfs/dbraw/zinc/65/32/85/1268653285.db2.gz SRZUDBHPCUNDPT-LSDHHAIUSA-N 2 1 351.495 0.180 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450243 1268653299 /nfs/dbraw/zinc/65/32/99/1268653299.db2.gz ITFIGLJHLBAEOG-RDJZCZTQSA-N 2 1 365.522 0.223 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450243 1268653303 /nfs/dbraw/zinc/65/33/03/1268653303.db2.gz ITFIGLJHLBAEOG-RDJZCZTQSA-N 2 1 365.522 0.223 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553455497 1268654363 /nfs/dbraw/zinc/65/43/63/1268654363.db2.gz YLSKMSZJFMTXDO-KSZLIROESA-N 2 1 365.522 0.176 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CC1(C)C ZINC001553482653 1268658533 /nfs/dbraw/zinc/65/85/33/1268658533.db2.gz VBLQBZSAFJLHTB-HNNXBMFYSA-N 2 1 353.511 0.080 20 0 FCADMP O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553544797 1268667304 /nfs/dbraw/zinc/66/73/04/1268667304.db2.gz CHBAANKYSXHGJY-RDGPPVDQSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553544797 1268667310 /nfs/dbraw/zinc/66/73/10/1268667310.db2.gz CHBAANKYSXHGJY-RDGPPVDQSA-N 2 1 361.534 0.985 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340894073 1268695967 /nfs/dbraw/zinc/69/59/67/1268695967.db2.gz JCHQRERHFSFOEN-UHFFFAOYSA-N 2 1 371.485 0.823 20 0 FCADMP Cc1c(C(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)cnn1-c1cc[nH+]cc1 ZINC001553829550 1268722217 /nfs/dbraw/zinc/72/22/17/1268722217.db2.gz LWYUTHRRSXGKJG-IRXDYDNUSA-N 2 1 366.429 0.795 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001341118366 1268793360 /nfs/dbraw/zinc/79/33/60/1268793360.db2.gz MLGQHVHSKXRWQO-JZXOWHBKSA-N 2 1 352.523 0.974 20 0 FCADMP CCC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC001341293308 1268921486 /nfs/dbraw/zinc/92/14/86/1268921486.db2.gz FNCZLZBNMRTULG-WBVHZDCISA-N 2 1 356.511 0.435 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001341443988 1269000312 /nfs/dbraw/zinc/00/03/12/1269000312.db2.gz DIMFONVEGOVDFL-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001341579056 1269092855 /nfs/dbraw/zinc/09/28/55/1269092855.db2.gz GSRXCTRQXZMFMF-DUVNUKRYSA-N 2 1 360.462 0.754 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341844832 1269243670 /nfs/dbraw/zinc/24/36/70/1269243670.db2.gz LOSAHYSOWCQCPF-MJGOQNOKSA-N 3 1 371.529 0.484 20 0 FCADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844832 1269243675 /nfs/dbraw/zinc/24/36/75/1269243675.db2.gz LOSAHYSOWCQCPF-MJGOQNOKSA-N 2 1 371.529 0.484 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844832 1269243680 /nfs/dbraw/zinc/24/36/80/1269243680.db2.gz LOSAHYSOWCQCPF-MJGOQNOKSA-N 2 1 371.529 0.484 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001342091609 1269342477 /nfs/dbraw/zinc/34/24/77/1269342477.db2.gz YUTGYPRQJIFLTK-SJORKVTESA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001563599308 1269394302 /nfs/dbraw/zinc/39/43/02/1269394302.db2.gz NMYWEHDAZLAQQY-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001563599308 1269394310 /nfs/dbraw/zinc/39/43/10/1269394310.db2.gz NMYWEHDAZLAQQY-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001563599308 1269394317 /nfs/dbraw/zinc/39/43/17/1269394317.db2.gz NMYWEHDAZLAQQY-MRXNPFEDSA-N 2 1 355.527 0.158 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C[NH+]1CCN(C)CC1 ZINC001564037539 1269405542 /nfs/dbraw/zinc/40/55/42/1269405542.db2.gz OIOBTCXPTJPQAC-SJORKVTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037539 1269405546 /nfs/dbraw/zinc/40/55/46/1269405546.db2.gz OIOBTCXPTJPQAC-SJORKVTESA-N 2 1 355.527 0.016 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)CN1CC[NH+](C)CC1 ZINC001564037539 1269405549 /nfs/dbraw/zinc/40/55/49/1269405549.db2.gz OIOBTCXPTJPQAC-SJORKVTESA-N 2 1 355.527 0.016 20 0 FCADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001342271916 1269413752 /nfs/dbraw/zinc/41/37/52/1269413752.db2.gz PUWGPLZBXCSQFE-LZWOXQAQSA-N 2 1 357.376 0.890 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001343443661 1269910874 /nfs/dbraw/zinc/91/08/74/1269910874.db2.gz CISMTWAAZCGMAA-FHWLQOOXSA-N 2 1 360.502 0.686 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001343443661 1269910877 /nfs/dbraw/zinc/91/08/77/1269910877.db2.gz CISMTWAAZCGMAA-FHWLQOOXSA-N 2 1 360.502 0.686 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001572781222 1270134219 /nfs/dbraw/zinc/13/42/19/1270134219.db2.gz SPJYIFNWNOKNAD-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)Cc1nnc(N2CC[NH2+]CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001573518850 1270805945 /nfs/dbraw/zinc/80/59/45/1270805945.db2.gz VDAKLKCNYKRYKA-MRXNPFEDSA-N 2 1 350.511 0.733 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001573974719 1270968090 /nfs/dbraw/zinc/96/80/90/1270968090.db2.gz PLSSLHKQOHHOCL-XEZPLFJOSA-N 2 1 370.461 0.637 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573976433 1270970951 /nfs/dbraw/zinc/97/09/51/1270970951.db2.gz WGGSMILONBBAMW-CZUORRHYSA-N 2 1 372.477 0.933 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028270 1271009951 /nfs/dbraw/zinc/00/99/51/1271009951.db2.gz PMFAAWLNKWZCGR-DOMZBBRYSA-N 2 1 358.450 0.188 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251510 1271119909 /nfs/dbraw/zinc/11/99/09/1271119909.db2.gz GKUJDYGOGKZSNX-UHFFFAOYSA-N 2 1 358.450 0.425 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574254407 1271123225 /nfs/dbraw/zinc/12/32/25/1271123225.db2.gz FXQZXVGPQACMGD-IUODEOHRSA-N 2 1 358.450 0.283 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574264178 1271141815 /nfs/dbraw/zinc/14/18/15/1271141815.db2.gz BPCFRHYVHBPNQE-JOCQHMNTSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288016 1271162149 /nfs/dbraw/zinc/16/21/49/1271162149.db2.gz DDLAVEUZZXVULT-DVOMOZLQSA-N 2 1 370.461 0.616 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574289083 1271165218 /nfs/dbraw/zinc/16/52/18/1271165218.db2.gz VQCVHSILMPXCMJ-INIZCTEOSA-N 2 1 372.477 0.817 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574672665 1271476643 /nfs/dbraw/zinc/47/66/43/1271476643.db2.gz YBOCNQSYPIZCMM-OLZOCXBDSA-N 2 1 358.450 0.332 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001580654890 1278640073 /nfs/dbraw/zinc/64/00/73/1278640073.db2.gz PUDHYEAJLYIDRK-HUUCEWRRSA-N 2 1 350.467 0.169 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574870696 1271621300 /nfs/dbraw/zinc/62/13/00/1271621300.db2.gz CTDYRYNZTRBANZ-XHDPSFHLSA-N 2 1 361.425 0.694 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875659 1271630742 /nfs/dbraw/zinc/63/07/42/1271630742.db2.gz YAIJBYNNLBBTRV-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875659 1271630746 /nfs/dbraw/zinc/63/07/46/1271630746.db2.gz YAIJBYNNLBBTRV-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574875659 1271630752 /nfs/dbraw/zinc/63/07/52/1271630752.db2.gz YAIJBYNNLBBTRV-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876314 1271632944 /nfs/dbraw/zinc/63/29/44/1271632944.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876314 1271632951 /nfs/dbraw/zinc/63/29/51/1271632951.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574876314 1271632958 /nfs/dbraw/zinc/63/29/58/1271632958.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574877969 1271639711 /nfs/dbraw/zinc/63/97/11/1271639711.db2.gz UEVAUSKCGQCOOV-AAEUAGOBSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574895992 1271657051 /nfs/dbraw/zinc/65/70/51/1271657051.db2.gz BESAWWYZLIXICE-NWDGAFQWSA-N 2 1 363.491 0.864 20 0 FCADMP CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575682370 1272293874 /nfs/dbraw/zinc/29/38/74/1272293874.db2.gz NZJHJGMWRZPKHI-HNNXBMFYSA-N 2 1 363.510 0.782 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CC2([NH3+])COC2)CC1 ZINC001575698950 1272320649 /nfs/dbraw/zinc/32/06/49/1272320649.db2.gz AGDCTJIBZICBMV-HNNXBMFYSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC001576066345 1272817792 /nfs/dbraw/zinc/81/77/92/1272817792.db2.gz TXECGCWNLNXTIL-OAHLLOKOSA-N 2 1 371.489 0.988 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576116809 1272912419 /nfs/dbraw/zinc/91/24/19/1272912419.db2.gz YQZGWQOUKZLQBV-YXSUXZIUSA-N 2 1 370.461 0.616 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCOC)CC1 ZINC001576517824 1273402345 /nfs/dbraw/zinc/40/23/45/1273402345.db2.gz UXVCCHCRLYDJGH-UHFFFAOYSA-N 2 1 352.483 0.586 20 0 FCADMP CC[N@H+](C)CCC(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCOC)CC1 ZINC001576517824 1273402350 /nfs/dbraw/zinc/40/23/50/1273402350.db2.gz UXVCCHCRLYDJGH-UHFFFAOYSA-N 2 1 352.483 0.586 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCOC)CC1 ZINC001576517824 1273402354 /nfs/dbraw/zinc/40/23/54/1273402354.db2.gz UXVCCHCRLYDJGH-UHFFFAOYSA-N 2 1 352.483 0.586 20 0 FCADMP C[C@]1([NH+]2CCOCC2)CCN(c2nnc([C@H]3CCOC3)n2CCC[NH3+])C1 ZINC001576534525 1273420937 /nfs/dbraw/zinc/42/09/37/1273420937.db2.gz GFCOHEKXALEYDI-YJBOKZPZSA-N 2 1 364.494 0.432 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(Cc3cn[nH]n3)CC2)CC[N@@H+]1C ZINC001576608650 1273477192 /nfs/dbraw/zinc/47/71/92/1273477192.db2.gz GRSHQRXWPXWBEE-DLBZAZTESA-N 2 1 363.510 0.159 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(Cc3cn[nH]n3)CC2)CC[N@H+]1C ZINC001576608650 1273477199 /nfs/dbraw/zinc/47/71/99/1273477199.db2.gz GRSHQRXWPXWBEE-DLBZAZTESA-N 2 1 363.510 0.159 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCc3cn[nH]n3)CC2)cn1 ZINC001576749526 1273619328 /nfs/dbraw/zinc/61/93/28/1273619328.db2.gz HJLBRBZNZXNNES-MRXNPFEDSA-N 2 1 374.493 0.390 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3c[nH]nn3)CC2)cn1 ZINC001576749526 1273619337 /nfs/dbraw/zinc/61/93/37/1273619337.db2.gz HJLBRBZNZXNNES-MRXNPFEDSA-N 2 1 374.493 0.390 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCc3c[nH]nn3)CC2)cn1 ZINC001576749526 1273619342 /nfs/dbraw/zinc/61/93/42/1273619342.db2.gz HJLBRBZNZXNNES-MRXNPFEDSA-N 2 1 374.493 0.390 20 0 FCADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001576802181 1273707777 /nfs/dbraw/zinc/70/77/77/1273707777.db2.gz WKEZRFRBIGTWCJ-GJZGRUSLSA-N 2 1 354.495 0.982 20 0 FCADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001576802188 1273708559 /nfs/dbraw/zinc/70/85/59/1273708559.db2.gz WKEZRFRBIGTWCJ-LSDHHAIUSA-N 2 1 354.495 0.982 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCc1c[nH]nn1 ZINC001576833764 1273759872 /nfs/dbraw/zinc/75/98/72/1273759872.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCc1c[nH]nn1 ZINC001576833764 1273759878 /nfs/dbraw/zinc/75/98/78/1273759878.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCc1c[nH]nn1 ZINC001576833764 1273759883 /nfs/dbraw/zinc/75/98/83/1273759883.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[N@H+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCc1cn[nH]n1 ZINC001576833764 1273759887 /nfs/dbraw/zinc/75/98/87/1273759887.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCc1cn[nH]n1 ZINC001576833764 1273759891 /nfs/dbraw/zinc/75/98/91/1273759891.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576833764 1273759895 /nfs/dbraw/zinc/75/98/95/1273759895.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCc1cn[nH]n1 ZINC001576833764 1273759901 /nfs/dbraw/zinc/75/99/01/1273759901.db2.gz JJFHFTTUZHCFGD-IRXDYDNUSA-N 2 1 364.494 0.429 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCc1c[nH]nn1 ZINC001576833763 1273760600 /nfs/dbraw/zinc/76/06/00/1273760600.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCc1c[nH]nn1 ZINC001576833763 1273760604 /nfs/dbraw/zinc/76/06/04/1273760604.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCc1c[nH]nn1 ZINC001576833763 1273760606 /nfs/dbraw/zinc/76/06/06/1273760606.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP C[N@H+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCc1cn[nH]n1 ZINC001576833763 1273760612 /nfs/dbraw/zinc/76/06/12/1273760612.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCc1cn[nH]n1 ZINC001576833763 1273760615 /nfs/dbraw/zinc/76/06/15/1273760615.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576833763 1273760617 /nfs/dbraw/zinc/76/06/17/1273760617.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCc1cn[nH]n1 ZINC001576833763 1273760624 /nfs/dbraw/zinc/76/06/24/1273760624.db2.gz JJFHFTTUZHCFGD-IAGOWNOFSA-N 2 1 364.494 0.429 20 0 FCADMP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001576839706 1273775526 /nfs/dbraw/zinc/77/55/26/1273775526.db2.gz UBLILBYDOLZBKD-JKSUJKDBSA-N 2 1 350.467 0.386 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576848394 1273794941 /nfs/dbraw/zinc/79/49/41/1273794941.db2.gz ZEPMCJZJIFQFAX-GOSISDBHSA-N 2 1 356.474 0.712 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576848394 1273794946 /nfs/dbraw/zinc/79/49/46/1273794946.db2.gz ZEPMCJZJIFQFAX-GOSISDBHSA-N 2 1 356.474 0.712 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576848394 1273794952 /nfs/dbraw/zinc/79/49/52/1273794952.db2.gz ZEPMCJZJIFQFAX-GOSISDBHSA-N 2 1 356.474 0.712 20 0 FCADMP C[C@H]1Cn2nc(C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)cc2C[NH2+]1 ZINC001576870519 1273846199 /nfs/dbraw/zinc/84/61/99/1273846199.db2.gz CGLKSZIUXRRFIA-NSHDSACASA-N 2 1 356.430 0.788 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576882687 1273863594 /nfs/dbraw/zinc/86/35/94/1273863594.db2.gz JAVFIJVPLDGFRT-WMLDXEAASA-N 2 1 364.494 0.333 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CC[C@H](CC[NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001576884546 1273870358 /nfs/dbraw/zinc/87/03/58/1273870358.db2.gz WWTCKFAPNWGRPA-HNNXBMFYSA-N 2 1 364.494 0.286 20 0 FCADMP CC[C@@H]1CN(c2nnc(C)n2C[C@@H]2C[C@H]3C[NH2+]C[C@@H]23)CC[N@H+]1CCOC ZINC001577292801 1274310106 /nfs/dbraw/zinc/31/01/06/1274310106.db2.gz WYQOYBFURBIZRI-WNRNVDISSA-N 2 1 362.522 0.989 20 0 FCADMP CC[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC001577296455 1274312328 /nfs/dbraw/zinc/31/23/28/1274312328.db2.gz PFWIQODYGQNWIP-JTDSTZFVSA-N 2 1 362.522 0.861 20 0 FCADMP CCCN(C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CC[N@@H+](C)C1 ZINC001577488610 1274446043 /nfs/dbraw/zinc/44/60/43/1274446043.db2.gz CBZJHBLHTXDDOD-HUUCEWRRSA-N 2 1 352.479 0.797 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558945 1274504348 /nfs/dbraw/zinc/50/43/48/1274504348.db2.gz OLMIAONZZGJMHD-ZIAGYGMSSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570918 1274534300 /nfs/dbraw/zinc/53/43/00/1274534300.db2.gz MIJAYWMPMWUHHL-CQSZACIVSA-N 2 1 372.477 0.818 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577574203 1274540510 /nfs/dbraw/zinc/54/05/10/1274540510.db2.gz RBCYJVVZAPNOIW-UHFFFAOYSA-N 2 1 372.477 0.866 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577575851 1274542155 /nfs/dbraw/zinc/54/21/55/1274542155.db2.gz CAVORJAZQPYLJM-HDJSIYSDSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577668161 1274690580 /nfs/dbraw/zinc/69/05/80/1274690580.db2.gz IWRRZBURPUELII-WFASDCNBSA-N 2 1 358.450 0.475 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577668845 1274691441 /nfs/dbraw/zinc/69/14/41/1274691441.db2.gz NPNMXXUHPWWOFY-XJKSGUPXSA-N 2 1 372.477 0.783 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577670459 1274698249 /nfs/dbraw/zinc/69/82/49/1274698249.db2.gz ULRNQGOLGYBJSC-MRXNPFEDSA-N 2 1 372.477 0.737 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673363 1274707724 /nfs/dbraw/zinc/70/77/24/1274707724.db2.gz JTZUECMZNDFFDU-DVOMOZLQSA-N 2 1 370.461 0.617 20 0 FCADMP CC[N@@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001577704255 1274766380 /nfs/dbraw/zinc/76/63/80/1274766380.db2.gz ILNKZPUGPLGUBJ-UKRRQHHQSA-N 2 1 353.463 0.755 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755608 1274836324 /nfs/dbraw/zinc/83/63/24/1274836324.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1c[nH]nn1)C2 ZINC001577755608 1274836328 /nfs/dbraw/zinc/83/63/28/1274836328.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1c[nH]nn1)C2 ZINC001577755608 1274836332 /nfs/dbraw/zinc/83/63/32/1274836332.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755608 1274836338 /nfs/dbraw/zinc/83/63/38/1274836338.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755608 1274836342 /nfs/dbraw/zinc/83/63/42/1274836342.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1cn[nH]n1)C2 ZINC001577755608 1274836347 /nfs/dbraw/zinc/83/63/47/1274836347.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1cn[nH]n1)C2 ZINC001577755608 1274836351 /nfs/dbraw/zinc/83/63/51/1274836351.db2.gz YEXQENLKFKAPKU-IRXDYDNUSA-N 2 1 358.490 0.898 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH3+])CC2)C1 ZINC001577763951 1274849303 /nfs/dbraw/zinc/84/93/03/1274849303.db2.gz NABGZRMTKOHYPK-DZGCQCFKSA-N 2 1 361.494 0.499 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001577782122 1274876712 /nfs/dbraw/zinc/87/67/12/1274876712.db2.gz VUNVLZPRUXIYKW-SOUVJXGZSA-N 2 1 358.494 0.795 20 0 FCADMP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC001577781345 1274876813 /nfs/dbraw/zinc/87/68/13/1274876813.db2.gz MTDJHVKHQGJKOT-ZBFHGGJFSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577852009 1274991277 /nfs/dbraw/zinc/99/12/77/1274991277.db2.gz HXYFPLDHOGKSOJ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577851966 1274991713 /nfs/dbraw/zinc/99/17/13/1274991713.db2.gz HDUPUMHCCLGSGA-UHFFFAOYSA-N 2 1 372.477 0.737 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862366 1275027398 /nfs/dbraw/zinc/02/73/98/1275027398.db2.gz AAUAMQROYLPGGM-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862366 1275027401 /nfs/dbraw/zinc/02/74/01/1275027401.db2.gz AAUAMQROYLPGGM-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577862366 1275027409 /nfs/dbraw/zinc/02/74/09/1275027409.db2.gz AAUAMQROYLPGGM-HNNXBMFYSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001577865325 1275039865 /nfs/dbraw/zinc/03/98/65/1275039865.db2.gz JWXKHTNBBMMGGT-KFWWJZLASA-N 2 1 363.510 0.758 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866124 1275044312 /nfs/dbraw/zinc/04/43/12/1275044312.db2.gz AJQZGZOKQAHCCU-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866124 1275044319 /nfs/dbraw/zinc/04/43/19/1275044319.db2.gz AJQZGZOKQAHCCU-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577866124 1275044326 /nfs/dbraw/zinc/04/43/26/1275044326.db2.gz AJQZGZOKQAHCCU-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[NH2+]CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001577873734 1275067277 /nfs/dbraw/zinc/06/72/77/1275067277.db2.gz UBFQBRRKASVVCV-MRXNPFEDSA-N 2 1 366.510 0.898 20 0 FCADMP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001578110122 1275412600 /nfs/dbraw/zinc/41/26/00/1275412600.db2.gz WVWNJQNIXFQCLO-CYBMUJFWSA-N 2 1 358.450 0.204 20 0 FCADMP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[NH2+]C ZINC001578128944 1275428422 /nfs/dbraw/zinc/42/84/22/1275428422.db2.gz FDPVMJIMFJGFRI-HOTGVXAUSA-N 2 1 366.510 0.581 20 0 FCADMP CCOCc1nnc(N2CCC(C)([NH3+])CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578131950 1275431020 /nfs/dbraw/zinc/43/10/20/1275431020.db2.gz CUFUWJJWHHNADZ-KRWDZBQOSA-N 2 1 352.483 0.199 20 0 FCADMP CCOCc1nnc(N2CCC[C@H](C[NH3+])C2)n1CCC[NH+]1CCOCC1 ZINC001578134922 1275433508 /nfs/dbraw/zinc/43/35/08/1275433508.db2.gz GTMHQFONTSQQHE-MRXNPFEDSA-N 2 1 366.510 0.712 20 0 FCADMP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001578181043 1275471173 /nfs/dbraw/zinc/47/11/73/1275471173.db2.gz AJMDFYMMMBRSEQ-ZIAGYGMSSA-N 2 1 372.477 0.853 20 0 FCADMP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001578194938 1275485813 /nfs/dbraw/zinc/48/58/13/1275485813.db2.gz RBBKWPKLHOKXJU-CYBMUJFWSA-N 2 1 372.477 0.935 20 0 FCADMP CC[N@@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578217711 1275511233 /nfs/dbraw/zinc/51/12/33/1275511233.db2.gz OPLLUMAJGRDVIR-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578217711 1275511234 /nfs/dbraw/zinc/51/12/34/1275511234.db2.gz OPLLUMAJGRDVIR-MRXNPFEDSA-N 2 1 357.462 0.851 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224545 1275523920 /nfs/dbraw/zinc/52/39/20/1275523920.db2.gz OTBFVZBWFCAZQZ-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578224545 1275523926 /nfs/dbraw/zinc/52/39/26/1275523926.db2.gz OTBFVZBWFCAZQZ-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223665 1275524465 /nfs/dbraw/zinc/52/44/65/1275524465.db2.gz CYGOJINEZXRPPE-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578223665 1275524471 /nfs/dbraw/zinc/52/44/71/1275524471.db2.gz CYGOJINEZXRPPE-BBRMVZONSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[NH2+][C@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001578324026 1275668562 /nfs/dbraw/zinc/66/85/62/1275668562.db2.gz CZQSQWXWSSVKRS-HZPDHXFCSA-N 2 1 350.511 0.876 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578447986 1275843216 /nfs/dbraw/zinc/84/32/16/1275843216.db2.gz YSIAGWOKZUEDDB-DVOMOZLQSA-N 2 1 372.477 0.578 20 0 FCADMP CN(CCCCCO)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578525950 1275960412 /nfs/dbraw/zinc/96/04/12/1275960412.db2.gz VAJWWZVNSCZAJY-DAYGRLMNSA-N 2 1 366.510 0.148 20 0 FCADMP C[NH2+][C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)CCOC)C1 ZINC001578601279 1276033196 /nfs/dbraw/zinc/03/31/96/1276033196.db2.gz AYBXXBVHRFRJLZ-JKSUJKDBSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578730971 1276206624 /nfs/dbraw/zinc/20/66/24/1276206624.db2.gz GBQUUTIOUZZSLV-INIZCTEOSA-N 2 1 357.462 0.004 20 0 FCADMP C[NH2+]CCn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578730971 1276206628 /nfs/dbraw/zinc/20/66/28/1276206628.db2.gz GBQUUTIOUZZSLV-INIZCTEOSA-N 2 1 357.462 0.004 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@@H]2CC23C[NH2+]C3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001578781989 1276264015 /nfs/dbraw/zinc/26/40/15/1276264015.db2.gz WKOYEYXJVUVSCJ-JXFKEZNVSA-N 2 1 357.454 0.920 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)C1 ZINC001578807855 1276298446 /nfs/dbraw/zinc/29/84/46/1276298446.db2.gz WYAIDSNCOXILRZ-HUUCEWRRSA-N 2 1 352.479 0.940 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)C1 ZINC001578807855 1276298447 /nfs/dbraw/zinc/29/84/47/1276298447.db2.gz WYAIDSNCOXILRZ-HUUCEWRRSA-N 2 1 352.479 0.940 20 0 FCADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578972721 1276518167 /nfs/dbraw/zinc/51/81/67/1276518167.db2.gz BEPLQALTJULAEK-OAHLLOKOSA-N 2 1 357.462 0.851 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)CC[NH+](C)C ZINC001578973576 1276521055 /nfs/dbraw/zinc/52/10/55/1276521055.db2.gz UBKYUGRMFDFNMC-OAHLLOKOSA-N 2 1 357.462 0.851 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578986007 1276554722 /nfs/dbraw/zinc/55/47/22/1276554722.db2.gz WFVYWPPCANHHOK-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578987465 1276556985 /nfs/dbraw/zinc/55/69/85/1276556985.db2.gz FAUADFIRCJRPPI-QLPKVWCKSA-N 2 1 355.446 0.365 20 0 FCADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578988069 1276559071 /nfs/dbraw/zinc/55/90/71/1276559071.db2.gz YQXJGRAGNKOZGH-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579006032 1276577876 /nfs/dbraw/zinc/57/78/76/1276577876.db2.gz LGZRHDDILKDWRD-CYBMUJFWSA-N 2 1 372.477 0.674 20 0 FCADMP C[N@@H+](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001579015871 1276589226 /nfs/dbraw/zinc/58/92/26/1276589226.db2.gz VQKLETSFUWVXOD-UHFFFAOYSA-N 2 1 369.473 0.899 20 0 FCADMP COCC[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579028841 1276610512 /nfs/dbraw/zinc/61/05/12/1276610512.db2.gz YSAIZVTWQUUTHV-YJBOKZPZSA-N 2 1 374.493 0.184 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001579131655 1276822793 /nfs/dbraw/zinc/82/27/93/1276822793.db2.gz BISSOFNIJQSNHL-UHFFFAOYSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579166291 1276917309 /nfs/dbraw/zinc/91/73/09/1276917309.db2.gz CBIFZVFGYRQIFD-UHFFFAOYSA-N 2 1 373.436 0.650 20 0 FCADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nn[nH]n1 ZINC001579171356 1276925121 /nfs/dbraw/zinc/92/51/21/1276925121.db2.gz CIVKYOGTDDWYPP-KRWDZBQOSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579171240 1276925297 /nfs/dbraw/zinc/92/52/97/1276925297.db2.gz ADTLBQMAVHKCTO-QGZVFWFLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001579261408 1277059321 /nfs/dbraw/zinc/05/93/21/1277059321.db2.gz PZVXVWHRDDVGSZ-WBVHZDCISA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579261408 1277059322 /nfs/dbraw/zinc/05/93/22/1277059322.db2.gz PZVXVWHRDDVGSZ-WBVHZDCISA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579261408 1277059325 /nfs/dbraw/zinc/05/93/25/1277059325.db2.gz PZVXVWHRDDVGSZ-WBVHZDCISA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579326567 1277148993 /nfs/dbraw/zinc/14/89/93/1277148993.db2.gz KLSSXJVGPQNDRD-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326007 1277150146 /nfs/dbraw/zinc/15/01/46/1277150146.db2.gz HNTVXXMNYVFKPN-DLBZAZTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579332008 1277162934 /nfs/dbraw/zinc/16/29/34/1277162934.db2.gz HQUSZWXEVGYMAP-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579333156 1277165969 /nfs/dbraw/zinc/16/59/69/1277165969.db2.gz OJCUQGUCTIQWJR-OAHLLOKOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579333733 1277168222 /nfs/dbraw/zinc/16/82/22/1277168222.db2.gz SNJAXOHZDYTLDV-DLBZAZTESA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334178 1277170343 /nfs/dbraw/zinc/17/03/43/1277170343.db2.gz UWSWUCXHNGKALH-ZFWWWQNUSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334178 1277170345 /nfs/dbraw/zinc/17/03/45/1277170345.db2.gz UWSWUCXHNGKALH-ZFWWWQNUSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334178 1277170347 /nfs/dbraw/zinc/17/03/47/1277170347.db2.gz UWSWUCXHNGKALH-ZFWWWQNUSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334178 1277170352 /nfs/dbraw/zinc/17/03/52/1277170352.db2.gz UWSWUCXHNGKALH-ZFWWWQNUSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334548 1277171133 /nfs/dbraw/zinc/17/11/33/1277171133.db2.gz YRLTVCRCMNHIJR-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334548 1277171134 /nfs/dbraw/zinc/17/11/34/1277171134.db2.gz YRLTVCRCMNHIJR-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334548 1277171135 /nfs/dbraw/zinc/17/11/35/1277171135.db2.gz YRLTVCRCMNHIJR-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001579334548 1277171136 /nfs/dbraw/zinc/17/11/36/1277171136.db2.gz YRLTVCRCMNHIJR-KBPBESRZSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579334816 1277173043 /nfs/dbraw/zinc/17/30/43/1277173043.db2.gz HHAKJERPYHAYJA-AWEZNQCLSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579334816 1277173045 /nfs/dbraw/zinc/17/30/45/1277173045.db2.gz HHAKJERPYHAYJA-AWEZNQCLSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335187 1277173616 /nfs/dbraw/zinc/17/36/16/1277173616.db2.gz NUKVMBHVJDDCTP-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335187 1277173617 /nfs/dbraw/zinc/17/36/17/1277173617.db2.gz NUKVMBHVJDDCTP-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001579335187 1277173618 /nfs/dbraw/zinc/17/36/18/1277173618.db2.gz NUKVMBHVJDDCTP-MRXNPFEDSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335266 1277175685 /nfs/dbraw/zinc/17/56/85/1277175685.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335266 1277175691 /nfs/dbraw/zinc/17/56/91/1277175691.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335266 1277175695 /nfs/dbraw/zinc/17/56/95/1277175695.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579339969 1277184527 /nfs/dbraw/zinc/18/45/27/1277184527.db2.gz OQFYVUCGLSMBAF-TUKIKUTGSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343807 1277192528 /nfs/dbraw/zinc/19/25/28/1277192528.db2.gz LWFDYRMQPVFEIR-ZIAGYGMSSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579343807 1277192533 /nfs/dbraw/zinc/19/25/33/1277192533.db2.gz LWFDYRMQPVFEIR-ZIAGYGMSSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345466 1277195976 /nfs/dbraw/zinc/19/59/76/1277195976.db2.gz WCLZZTXHORYVEF-FZKQIMNGSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579345466 1277195981 /nfs/dbraw/zinc/19/59/81/1277195981.db2.gz WCLZZTXHORYVEF-FZKQIMNGSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344917 1277196469 /nfs/dbraw/zinc/19/64/69/1277196469.db2.gz ILBULZXBOSCWBZ-KBPBESRZSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344917 1277196471 /nfs/dbraw/zinc/19/64/71/1277196471.db2.gz ILBULZXBOSCWBZ-KBPBESRZSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347264 1277201952 /nfs/dbraw/zinc/20/19/52/1277201952.db2.gz ZRBMNXFAUODZMJ-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347264 1277201956 /nfs/dbraw/zinc/20/19/56/1277201956.db2.gz ZRBMNXFAUODZMJ-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579347264 1277201957 /nfs/dbraw/zinc/20/19/57/1277201957.db2.gz ZRBMNXFAUODZMJ-NVXWUHKLSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353626 1277214262 /nfs/dbraw/zinc/21/42/62/1277214262.db2.gz QGXZGTYKGKCPHQ-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353626 1277214269 /nfs/dbraw/zinc/21/42/69/1277214269.db2.gz QGXZGTYKGKCPHQ-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579353626 1277214273 /nfs/dbraw/zinc/21/42/73/1277214273.db2.gz QGXZGTYKGKCPHQ-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579355056 1277216701 /nfs/dbraw/zinc/21/67/01/1277216701.db2.gz CLTSVMXMOQRWNZ-PUJMQQBBSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579354289 1277217418 /nfs/dbraw/zinc/21/74/18/1277217418.db2.gz YCURQHMLKIACMB-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579355253 1277219427 /nfs/dbraw/zinc/21/94/27/1277219427.db2.gz DMTDWZDUTZFMRO-GOEBONIOSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001579356747 1277222883 /nfs/dbraw/zinc/22/28/83/1277222883.db2.gz MKLNFLGBDYPDBV-IRXDYDNUSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579357588 1277224884 /nfs/dbraw/zinc/22/48/84/1277224884.db2.gz YZPRNOPZWNAUSK-HZPDHXFCSA-N 2 1 355.446 0.651 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001579358950 1277228525 /nfs/dbraw/zinc/22/85/25/1277228525.db2.gz MHQSNHJBGTUPJM-GFCCVEGCSA-N 2 1 361.475 0.761 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)C(=O)O2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001579439957 1277318155 /nfs/dbraw/zinc/31/81/55/1277318155.db2.gz FPNIOPPLHVNUHF-MGPQQGTHSA-N 2 1 353.463 0.984 20 0 FCADMP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC001579474045 1277380355 /nfs/dbraw/zinc/38/03/55/1277380355.db2.gz OIGZIZRBPMYTDO-APWZRJJASA-N 2 1 373.505 0.240 20 0 FCADMP Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001579522794 1277478632 /nfs/dbraw/zinc/47/86/32/1277478632.db2.gz YILGVVRMQVERDK-CYBMUJFWSA-N 2 1 354.458 0.998 20 0 FCADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH3+])C1 ZINC001579883409 1277949477 /nfs/dbraw/zinc/94/94/77/1277949477.db2.gz RMLQRGFYDFIXQQ-OAHLLOKOSA-N 2 1 374.493 0.797 20 0 FCADMP Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001579910970 1277958671 /nfs/dbraw/zinc/95/86/71/1277958671.db2.gz YGPIQSUJJVSNSA-HOCLYGCPSA-N 2 1 363.510 0.327 20 0 FCADMP Cn1cc(-c2nnc(N3CC[C@@H]([NH3+])C3)n2C[C@@H]2CCC[N@H+]2CCCO)cn1 ZINC001579951477 1277976439 /nfs/dbraw/zinc/97/64/39/1277976439.db2.gz NYBFGEKCDSLTKJ-CVEARBPZSA-N 2 1 374.493 0.063 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580273801 1278068364 /nfs/dbraw/zinc/06/83/64/1278068364.db2.gz AKRSYUFMUINSRL-SMDDNHRTSA-N 2 1 361.425 0.552 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001580280218 1278080014 /nfs/dbraw/zinc/08/00/14/1278080014.db2.gz AKLPXEXSCNVXHZ-JYJNAYRXSA-N 2 1 351.495 0.642 20 0 FCADMP Cc1cc(N(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943416 1279151497 /nfs/dbraw/zinc/15/14/97/1279151497.db2.gz GQHXLTUFENFBPZ-MGPQQGTHSA-N 2 1 372.477 0.851 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988983 1279188290 /nfs/dbraw/zinc/18/82/90/1279188290.db2.gz VBMJWNNGVIWKRU-DGCLKSJQSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991217 1279192924 /nfs/dbraw/zinc/19/29/24/1279192924.db2.gz MQNWWDUNUAYTIO-LBPRGKRZSA-N 2 1 372.477 0.783 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580990711 1279193091 /nfs/dbraw/zinc/19/30/91/1279193091.db2.gz HMEHLHJIQWNFRG-JSGCOSHPSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991416 1279194217 /nfs/dbraw/zinc/19/42/17/1279194217.db2.gz OQFWJEJYACMHCU-QWHCGFSZSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991421 1279194474 /nfs/dbraw/zinc/19/44/74/1279194474.db2.gz OSEWUGLJGZKDGH-CJNGLKHVSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993044 1279198293 /nfs/dbraw/zinc/19/82/93/1279198293.db2.gz FGXBTDPQCQYQNG-HZPDHXFCSA-N 2 1 372.477 0.639 20 0 FCADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707849 1287332146 /nfs/dbraw/zinc/33/21/46/1287332146.db2.gz SQZXKCJFFJWLRZ-IIAWOOMASA-N 2 1 350.463 0.673 20 0 FCADMP Cc1cc(NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002574 1279219713 /nfs/dbraw/zinc/21/97/13/1279219713.db2.gz SGOKKQZKWRFCJO-ROKHWSDSSA-N 2 1 370.461 0.250 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012849 1279239756 /nfs/dbraw/zinc/23/97/56/1279239756.db2.gz CFPROHNPEKBTLE-KGLIPLIRSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022276 1279253050 /nfs/dbraw/zinc/25/30/50/1279253050.db2.gz YBWXVJAMIBYFJW-BBRMVZONSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(NC[C@H]2CCCN2C(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022414 1279253256 /nfs/dbraw/zinc/25/32/56/1279253256.db2.gz YRQKCNSLPWXDRM-CQSZACIVSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034374 1279271809 /nfs/dbraw/zinc/27/18/09/1279271809.db2.gz CLFZIVSHOGCTBY-LBPRGKRZSA-N 2 1 360.466 0.639 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2csc(C3CC3)n2)CC[N@@H+]1C ZINC001716088164 1287369150 /nfs/dbraw/zinc/36/91/50/1287369150.db2.gz WBVDWXNXXSIFMV-BYCMXARLSA-N 2 1 352.504 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2csc(C3CC3)n2)CC[N@H+]1C ZINC001716088164 1287369158 /nfs/dbraw/zinc/36/91/58/1287369158.db2.gz WBVDWXNXXSIFMV-BYCMXARLSA-N 2 1 352.504 0.927 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581563816 1280141721 /nfs/dbraw/zinc/14/17/21/1280141721.db2.gz RSHJOVFJFDNJQK-NSCUHMNNSA-N 2 1 366.429 0.834 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001718122679 1287461445 /nfs/dbraw/zinc/46/14/45/1287461445.db2.gz YZRGJXHJUFCFSE-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001718122679 1287461450 /nfs/dbraw/zinc/46/14/50/1287461450.db2.gz YZRGJXHJUFCFSE-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001718122679 1287461456 /nfs/dbraw/zinc/46/14/56/1287461456.db2.gz YZRGJXHJUFCFSE-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001718122679 1287461460 /nfs/dbraw/zinc/46/14/60/1287461460.db2.gz YZRGJXHJUFCFSE-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001589676565 1282934883 /nfs/dbraw/zinc/93/48/83/1282934883.db2.gz AYWDQKPFYLVEPN-UHFFFAOYSA-N 2 1 363.441 0.942 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589716685 1282959811 /nfs/dbraw/zinc/95/98/11/1282959811.db2.gz KRSZYNVXEIFZBN-OAHLLOKOSA-N 2 1 358.450 0.475 20 0 FCADMP CC1(CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[NH2+]CC1 ZINC001590126640 1283230478 /nfs/dbraw/zinc/23/04/78/1283230478.db2.gz DSEPXSIIFMQWEE-HNNXBMFYSA-N 2 1 355.446 0.559 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270622 1283394731 /nfs/dbraw/zinc/39/47/31/1283394731.db2.gz CWEZVKSLVAGPPD-ZRMMWKCHSA-N 2 1 356.434 0.110 20 0 FCADMP C[C@@H]1OCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590333304 1283478716 /nfs/dbraw/zinc/47/87/16/1283478716.db2.gz FCCBVMIQQLQUJG-LIRRHRJNSA-N 2 1 372.473 0.961 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590733022 1283768643 /nfs/dbraw/zinc/76/86/43/1283768643.db2.gz KKYVRWKMHHAMIR-AWFCHZOYSA-N 2 1 370.461 0.642 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)[NH+](C)C ZINC001684023018 1284141043 /nfs/dbraw/zinc/14/10/43/1284141043.db2.gz CGHXWVBXZQNTRM-ZACQAIPSSA-N 2 1 368.522 0.593 20 0 FCADMP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001591080966 1284148927 /nfs/dbraw/zinc/14/89/27/1284148927.db2.gz GXHNNASSQYXFLS-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001591103698 1284176092 /nfs/dbraw/zinc/17/60/92/1284176092.db2.gz XUKUOBLPCRZAMU-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174705 1284263989 /nfs/dbraw/zinc/26/39/89/1284263989.db2.gz AFEYSIVBFQDMPI-KGLIPLIRSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001591175691 1284265129 /nfs/dbraw/zinc/26/51/29/1284265129.db2.gz RNUJGYVZSFFZID-DJIMGWMZSA-N 2 1 369.473 0.803 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591186572 1284295808 /nfs/dbraw/zinc/29/58/08/1284295808.db2.gz UGXGRTTYYGDDNT-BAABZTOOSA-N 2 1 370.461 0.642 20 0 FCADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186110 1284296729 /nfs/dbraw/zinc/29/67/29/1284296729.db2.gz FGENBDBYKIMDGE-BRWVUGGUSA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186110 1284296737 /nfs/dbraw/zinc/29/67/37/1284296737.db2.gz FGENBDBYKIMDGE-BRWVUGGUSA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001591189654 1284304841 /nfs/dbraw/zinc/30/48/41/1284304841.db2.gz KAFYZEBQMDYAGE-WOMSROEHSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1(C)C ZINC001591193650 1284314154 /nfs/dbraw/zinc/31/41/54/1284314154.db2.gz VKJKAACJQIERGH-UHFFFAOYSA-N 2 1 369.477 0.630 20 0 FCADMP Cc1cc(NCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049215 1285095063 /nfs/dbraw/zinc/09/50/63/1285095063.db2.gz LBLOPJGRJCTXGA-BBRMVZONSA-N 2 1 370.461 0.537 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001592747423 1285666750 /nfs/dbraw/zinc/66/67/50/1285666750.db2.gz MHYMUGQCFVLTLZ-MRXNPFEDSA-N 2 1 353.434 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995391 1285878438 /nfs/dbraw/zinc/87/84/38/1285878438.db2.gz SRWVEJCQCNABBJ-BRWVUGGUSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995391 1285878445 /nfs/dbraw/zinc/87/84/45/1285878445.db2.gz SRWVEJCQCNABBJ-BRWVUGGUSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995392 1285879137 /nfs/dbraw/zinc/87/91/37/1285879137.db2.gz SRWVEJCQCNABBJ-IKGGRYGDSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995392 1285879148 /nfs/dbraw/zinc/87/91/48/1285879148.db2.gz SRWVEJCQCNABBJ-IKGGRYGDSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001593075805 1285971385 /nfs/dbraw/zinc/97/13/85/1285971385.db2.gz DRFHAMQFXXUBMA-XJKSGUPXSA-N 2 1 370.461 0.619 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3ccc(-c4nn[nH]n4)cc32)CC1 ZINC001609285498 1289051435 /nfs/dbraw/zinc/05/14/35/1289051435.db2.gz ZYHYVTMHZXBUNU-INIZCTEOSA-N 2 1 355.446 0.608 20 0 FCADMP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001593511063 1286188610 /nfs/dbraw/zinc/18/86/10/1286188610.db2.gz FGMXKXQOJAIVLL-YCPHGPKFSA-N 2 1 358.446 0.680 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)CC[NH+]2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001704400957 1286242925 /nfs/dbraw/zinc/24/29/25/1286242925.db2.gz WETSWSDCUJFKLJ-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)CC[NH+]2CCOCC2)C2CC2)CC[N@H+]1C ZINC001704400957 1286242928 /nfs/dbraw/zinc/24/29/28/1286242928.db2.gz WETSWSDCUJFKLJ-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1 ZINC001704415349 1286248379 /nfs/dbraw/zinc/24/83/79/1286248379.db2.gz VQUDWBZOJBAKKL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001704415349 1286248382 /nfs/dbraw/zinc/24/83/82/1286248382.db2.gz VQUDWBZOJBAKKL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001704415349 1286248391 /nfs/dbraw/zinc/24/83/91/1286248391.db2.gz VQUDWBZOJBAKKL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CC[NH+]3CCCC3)C2)CC1 ZINC001710287520 1287170729 /nfs/dbraw/zinc/17/07/29/1287170729.db2.gz BIUBUITYYJIJEF-SFHVURJKSA-N 2 1 361.538 0.899 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001605427653 1287959157 /nfs/dbraw/zinc/95/91/57/1287959157.db2.gz NPNFDJIKQJPANK-DOMZBBRYSA-N 2 1 370.461 0.687 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001724786369 1288449855 /nfs/dbraw/zinc/44/98/55/1288449855.db2.gz PMWQHYPAPDSBBM-BFHYXJOUSA-N 2 1 367.494 0.189 20 0 FCADMP Cc1cnc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC001724978319 1288457664 /nfs/dbraw/zinc/45/76/64/1288457664.db2.gz VUFYDBYBVVYINP-HZPDHXFCSA-N 2 1 361.490 0.568 20 0 FCADMP Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1 ZINC001724978319 1288457666 /nfs/dbraw/zinc/45/76/66/1288457666.db2.gz VUFYDBYBVVYINP-HZPDHXFCSA-N 2 1 361.490 0.568 20 0 FCADMP Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC001724978319 1288457667 /nfs/dbraw/zinc/45/76/67/1288457667.db2.gz VUFYDBYBVVYINP-HZPDHXFCSA-N 2 1 361.490 0.568 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001732342957 1288581787 /nfs/dbraw/zinc/58/17/87/1288581787.db2.gz MOLQWZUWCWDBGP-BFYDXBDKSA-N 2 1 371.489 0.844 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574586 1288618946 /nfs/dbraw/zinc/61/89/46/1288618946.db2.gz YYHZLMUSJWJHQK-HSFUPAIVSA-N 2 1 364.534 0.972 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574586 1288618949 /nfs/dbraw/zinc/61/89/49/1288618949.db2.gz YYHZLMUSJWJHQK-HSFUPAIVSA-N 2 1 364.534 0.972 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001733574586 1288618952 /nfs/dbraw/zinc/61/89/52/1288618952.db2.gz YYHZLMUSJWJHQK-HSFUPAIVSA-N 2 1 364.534 0.972 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734784952 1288676410 /nfs/dbraw/zinc/67/64/10/1288676410.db2.gz ARQYFIBJWHUTOV-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734784952 1288676413 /nfs/dbraw/zinc/67/64/13/1288676413.db2.gz ARQYFIBJWHUTOV-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609112161 1288926311 /nfs/dbraw/zinc/92/63/11/1288926311.db2.gz UUXNDPPRNMPKNI-CQSZACIVSA-N 2 1 372.477 0.679 20 0 FCADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172957 1288966222 /nfs/dbraw/zinc/96/62/22/1288966222.db2.gz HJRZODDPMLVJQZ-WMLDXEAASA-N 2 1 360.462 0.991 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001691982034 1289356181 /nfs/dbraw/zinc/35/61/81/1289356181.db2.gz IAYCYHWBTZXDAI-DLBZAZTESA-N 2 1 360.462 0.833 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001691982034 1289356192 /nfs/dbraw/zinc/35/61/92/1289356192.db2.gz IAYCYHWBTZXDAI-DLBZAZTESA-N 2 1 360.462 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692031432 1289371467 /nfs/dbraw/zinc/37/14/67/1289371467.db2.gz CNIBVJQIUOXVRP-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001692062109 1289381584 /nfs/dbraw/zinc/38/15/84/1289381584.db2.gz RJUGBWMKVIYRRD-SQNIBIBYSA-N 2 1 362.518 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001692284439 1289443551 /nfs/dbraw/zinc/44/35/51/1289443551.db2.gz RLXFHOXNHAHRAY-MSOLQXFVSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@H](CC[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699101388 1289545732 /nfs/dbraw/zinc/54/57/32/1289545732.db2.gz CIBZLOVLWSLEHL-JHJVBQTASA-N 2 1 366.428 0.880 20 0 FCADMP C[C@H](CC[NH2+]Cc1ncnn1CC(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699101131 1289546265 /nfs/dbraw/zinc/54/62/65/1289546265.db2.gz BRTIAOQXPASDBB-JHJVBQTASA-N 2 1 358.437 0.868 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001699403609 1289552500 /nfs/dbraw/zinc/55/25/00/1289552500.db2.gz FSJPETHGNSBKQZ-CWRNSKLLSA-N 2 1 359.536 0.636 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001737530496 1289558041 /nfs/dbraw/zinc/55/80/41/1289558041.db2.gz BBNDUJIERDISAL-RXYDEIHYSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001699651122 1289559617 /nfs/dbraw/zinc/55/96/17/1289559617.db2.gz KYTZWQSOIKIGSH-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCOCCO)CC[N@@H+]1C ZINC001699691676 1289562686 /nfs/dbraw/zinc/56/26/86/1289562686.db2.gz SJXLIKXQFVNVSE-XWTMOSNGSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCOCCO)CC[N@H+]1C ZINC001699691676 1289562696 /nfs/dbraw/zinc/56/26/96/1289562696.db2.gz SJXLIKXQFVNVSE-XWTMOSNGSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCOCCO)CC[NH+]1C ZINC001699691676 1289562701 /nfs/dbraw/zinc/56/27/01/1289562701.db2.gz SJXLIKXQFVNVSE-XWTMOSNGSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCOCCO)CC[NH+]1C ZINC001699691676 1289562710 /nfs/dbraw/zinc/56/27/10/1289562710.db2.gz SJXLIKXQFVNVSE-XWTMOSNGSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001738049808 1289622992 /nfs/dbraw/zinc/62/29/92/1289622992.db2.gz OCOUPDSYFGQSJL-GDBMZVCRSA-N 2 1 361.490 0.921 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001738049808 1289622998 /nfs/dbraw/zinc/62/29/98/1289622998.db2.gz OCOUPDSYFGQSJL-GDBMZVCRSA-N 2 1 361.490 0.921 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H](C)[NH+](C)C ZINC001616940490 1289803283 /nfs/dbraw/zinc/80/32/83/1289803283.db2.gz KTAJWHIRJWJXEG-HNNXBMFYSA-N 2 1 354.499 0.533 20 0 FCADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC001618747624 1289933971 /nfs/dbraw/zinc/93/39/71/1289933971.db2.gz FSAXBBPEBJDYDT-OAHLLOKOSA-N 2 1 360.495 0.796 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC001618747624 1289933981 /nfs/dbraw/zinc/93/39/81/1289933981.db2.gz FSAXBBPEBJDYDT-OAHLLOKOSA-N 2 1 360.495 0.796 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](O)COc3ccccc3)cn2)CC1 ZINC001620709669 1290018735 /nfs/dbraw/zinc/01/87/35/1290018735.db2.gz SFNVQWOQSAROTB-KRWDZBQOSA-N 2 1 357.458 0.758 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001739585227 1290198846 /nfs/dbraw/zinc/19/88/46/1290198846.db2.gz XNZFCVNSZGOKIL-GVDBMIGSSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C2CC2)C2CC2)CC[N@@H+]1C ZINC001754441233 1290628121 /nfs/dbraw/zinc/62/81/21/1290628121.db2.gz LAPSUZGJXGZCEI-ARFHVFGLSA-N 2 1 361.494 0.723 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C2CC2)C2CC2)CC[N@H+]1C ZINC001754441233 1290628131 /nfs/dbraw/zinc/62/81/31/1290628131.db2.gz LAPSUZGJXGZCEI-ARFHVFGLSA-N 2 1 361.494 0.723 20 0 FCADMP COCCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001754962235 1290639434 /nfs/dbraw/zinc/63/94/34/1290639434.db2.gz UVKFIAZNEKFRGW-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3nc(C)no3)CC2)CC[N@@H+]1C ZINC001755154463 1290640374 /nfs/dbraw/zinc/64/03/74/1290640374.db2.gz PPGLALSFFOCMFE-LSDHHAIUSA-N 2 1 365.478 0.551 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3nc(C)no3)CC2)CC[N@H+]1C ZINC001755154463 1290640377 /nfs/dbraw/zinc/64/03/77/1290640377.db2.gz PPGLALSFFOCMFE-LSDHHAIUSA-N 2 1 365.478 0.551 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)cn2)CC1 ZINC001655666191 1291480432 /nfs/dbraw/zinc/48/04/32/1291480432.db2.gz MBRWLMUKQIYMPO-JKSUJKDBSA-N 2 1 367.519 0.674 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839879 1291566111 /nfs/dbraw/zinc/56/61/11/1291566111.db2.gz MJAPIOSQIZQBTQ-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839879 1291566118 /nfs/dbraw/zinc/56/61/18/1291566118.db2.gz MJAPIOSQIZQBTQ-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001656839879 1291566121 /nfs/dbraw/zinc/56/61/21/1291566121.db2.gz MJAPIOSQIZQBTQ-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001668400242 1291962500 /nfs/dbraw/zinc/96/25/00/1291962500.db2.gz LWBGGILBDLBWSV-MRXNPFEDSA-N 2 1 367.538 0.960 20 0 FCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001679408583 1292304049 /nfs/dbraw/zinc/30/40/49/1292304049.db2.gz DETROLLMSQJOAP-WMZOPIPTSA-N 2 1 368.522 0.633 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001688955645 1294552618 /nfs/dbraw/zinc/55/26/18/1294552618.db2.gz XGDJYOJKMZUHJM-RCCFBDPRSA-N 2 1 370.497 0.801 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2c2ccccc2)CC1 ZINC001688955645 1294552625 /nfs/dbraw/zinc/55/26/25/1294552625.db2.gz XGDJYOJKMZUHJM-RCCFBDPRSA-N 2 1 370.497 0.801 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001689067191 1294591082 /nfs/dbraw/zinc/59/10/82/1294591082.db2.gz SPENVTXUHDMECP-FGTMMUONSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001689176821 1294644043 /nfs/dbraw/zinc/64/40/43/1294644043.db2.gz MGMBHEWLNBKHHA-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001689176821 1294644046 /nfs/dbraw/zinc/64/40/46/1294644046.db2.gz MGMBHEWLNBKHHA-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(=O)NCC1CC1 ZINC001689176821 1294644053 /nfs/dbraw/zinc/64/40/53/1294644053.db2.gz MGMBHEWLNBKHHA-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(=O)NCC1CC1 ZINC001689176821 1294644059 /nfs/dbraw/zinc/64/40/59/1294644059.db2.gz MGMBHEWLNBKHHA-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001689234523 1294695053 /nfs/dbraw/zinc/69/50/53/1294695053.db2.gz CHJFCRMEPHSNHH-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001689234523 1294695058 /nfs/dbraw/zinc/69/50/58/1294695058.db2.gz CHJFCRMEPHSNHH-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001689234523 1294695063 /nfs/dbraw/zinc/69/50/63/1294695063.db2.gz CHJFCRMEPHSNHH-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001689588175 1294801773 /nfs/dbraw/zinc/80/17/73/1294801773.db2.gz XTCGUSGRAZKGAY-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690060487 1294852520 /nfs/dbraw/zinc/85/25/20/1294852520.db2.gz YMWGEWCXPGGZFD-BBWFWOEESA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001690060487 1294852532 /nfs/dbraw/zinc/85/25/32/1294852532.db2.gz YMWGEWCXPGGZFD-BBWFWOEESA-N 2 1 367.538 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001690576615 1294872818 /nfs/dbraw/zinc/87/28/18/1294872818.db2.gz FGQJFIXXPBIOAK-HZSPNIEDSA-N 2 1 351.451 0.746 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOC[C@H]2CCCO2)[C@@H]1C ZINC001691757635 1294916922 /nfs/dbraw/zinc/91/69/22/1294916922.db2.gz QTTNHUYMFQAZPT-OIISXLGYSA-N 2 1 350.463 0.966 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOC[C@H]2CCCO2)[C@@H]1C ZINC001691757635 1294916934 /nfs/dbraw/zinc/91/69/34/1294916934.db2.gz QTTNHUYMFQAZPT-OIISXLGYSA-N 2 1 350.463 0.966 20 0 FCADMP C1CCN(c2nc(N3CCN4CC[NH2+]C[C@@H]4C3)nc(N3CCCC3)[nH+]2)C1 ZINC001164401899 718838862 /nfs/dbraw/zinc/83/88/62/718838862.db2.gz CJFYAHLRLWCQHI-OAHLLOKOSA-N 2 1 358.494 0.166 20 0 FCADMP O=C1NCCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C12C[NH2+]C2 ZINC001164411491 718878373 /nfs/dbraw/zinc/87/83/73/718878373.db2.gz QFMZMKLBLMLWCW-UHFFFAOYSA-N 2 1 363.465 0.918 20 0 FCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C)c(C4C[NH2+]C4)n3)CC[C@@H]2C1 ZINC001164856656 720893177 /nfs/dbraw/zinc/89/31/77/720893177.db2.gz GDSNEAGJKANCFA-NVXWUHKLSA-N 2 1 361.490 0.645 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164866887 721059952 /nfs/dbraw/zinc/05/99/52/721059952.db2.gz GPJLXDKTLNTTKN-QZTJIDSGSA-N 2 1 366.469 0.997 20 0 FCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164867993 721064756 /nfs/dbraw/zinc/06/47/56/721064756.db2.gz LVFWTQQJFGJZOC-IAGOWNOFSA-N 2 1 366.469 0.997 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164868824 721070160 /nfs/dbraw/zinc/07/01/60/721070160.db2.gz QSCLRTQBXQFLNV-JKSUJKDBSA-N 2 1 352.442 0.955 20 0 FCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164868824 721070164 /nfs/dbraw/zinc/07/01/64/721070164.db2.gz QSCLRTQBXQFLNV-JKSUJKDBSA-N 2 1 352.442 0.955 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164766408 721075107 /nfs/dbraw/zinc/07/51/07/721075107.db2.gz KETJVTAKDSZUGX-SJORKVTESA-N 2 1 367.501 0.857 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001066279652 837422813 /nfs/dbraw/zinc/42/28/13/837422813.db2.gz XBJYFHWUGJLUED-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)CC2)O1 ZINC001066279652 837422819 /nfs/dbraw/zinc/42/28/19/837422819.db2.gz XBJYFHWUGJLUED-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001067463402 837460129 /nfs/dbraw/zinc/46/01/29/837460129.db2.gz DEXPYVWUFIYSEU-YESZJQIVSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001067463402 837460135 /nfs/dbraw/zinc/46/01/35/837460135.db2.gz DEXPYVWUFIYSEU-YESZJQIVSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001067463402 837460139 /nfs/dbraw/zinc/46/01/39/837460139.db2.gz DEXPYVWUFIYSEU-YESZJQIVSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001067536178 837465956 /nfs/dbraw/zinc/46/59/56/837465956.db2.gz PHIWWHMREHBVJJ-HZPDHXFCSA-N 2 1 356.511 0.212 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070024533 837601245 /nfs/dbraw/zinc/60/12/45/837601245.db2.gz USOHENNJBONLDM-CABCVRRESA-N 2 1 352.458 0.711 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070024533 837601250 /nfs/dbraw/zinc/60/12/50/837601250.db2.gz USOHENNJBONLDM-CABCVRRESA-N 2 1 352.458 0.711 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070024533 837601251 /nfs/dbraw/zinc/60/12/51/837601251.db2.gz USOHENNJBONLDM-CABCVRRESA-N 2 1 352.458 0.711 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097270 837616998 /nfs/dbraw/zinc/61/69/98/837616998.db2.gz KSUMJROLGYLMBT-UPJWGTAASA-N 2 1 360.384 0.524 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097270 837617000 /nfs/dbraw/zinc/61/70/00/837617000.db2.gz KSUMJROLGYLMBT-UPJWGTAASA-N 2 1 360.384 0.524 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097270 837617001 /nfs/dbraw/zinc/61/70/01/837617001.db2.gz KSUMJROLGYLMBT-UPJWGTAASA-N 2 1 360.384 0.524 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2n2ccnn2)C1 ZINC001070097270 837617003 /nfs/dbraw/zinc/61/70/03/837617003.db2.gz KSUMJROLGYLMBT-UPJWGTAASA-N 2 1 360.384 0.524 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070158408 837628400 /nfs/dbraw/zinc/62/84/00/837628400.db2.gz JHVJSFSAMVBSKK-KFWWJZLASA-N 2 1 361.475 0.371 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070158408 837628402 /nfs/dbraw/zinc/62/84/02/837628402.db2.gz JHVJSFSAMVBSKK-KFWWJZLASA-N 2 1 361.475 0.371 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070207695 837634343 /nfs/dbraw/zinc/63/43/43/837634343.db2.gz JRRUXVABURRVEC-XHSDSOJGSA-N 2 1 352.458 0.567 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070357608 837648429 /nfs/dbraw/zinc/64/84/29/837648429.db2.gz VZWFJZGMZCGRRR-RDBSUJKOSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070357608 837648432 /nfs/dbraw/zinc/64/84/32/837648432.db2.gz VZWFJZGMZCGRRR-RDBSUJKOSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070357608 837648437 /nfs/dbraw/zinc/64/84/37/837648437.db2.gz VZWFJZGMZCGRRR-RDBSUJKOSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070357608 837648438 /nfs/dbraw/zinc/64/84/38/837648438.db2.gz VZWFJZGMZCGRRR-RDBSUJKOSA-N 2 1 350.467 0.243 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070357608 837648442 /nfs/dbraw/zinc/64/84/42/837648442.db2.gz VZWFJZGMZCGRRR-RDBSUJKOSA-N 2 1 350.467 0.243 20 0 FCADMP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070367171 837650052 /nfs/dbraw/zinc/65/00/52/837650052.db2.gz IBKWRVKMOZOWRK-RYRKJORJSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070367049 837650114 /nfs/dbraw/zinc/65/01/14/837650114.db2.gz BISVMTINDMXXJF-VYDXJSESSA-N 2 1 354.470 0.526 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001070373100 837650500 /nfs/dbraw/zinc/65/05/00/837650500.db2.gz ZELSCBZPSTWVRK-RYRKJORJSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926616 837704402 /nfs/dbraw/zinc/70/44/02/837704402.db2.gz KUPIIKCQXJXBKP-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)[NH+](C)C ZINC001070926616 837704410 /nfs/dbraw/zinc/70/44/10/837704410.db2.gz KUPIIKCQXJXBKP-LVQVYYBASA-N 2 1 354.495 0.153 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001071062175 837721106 /nfs/dbraw/zinc/72/11/06/837721106.db2.gz OFLMFMDNSMAIEW-YJLNNSPDSA-N 2 1 353.507 0.837 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)O)CC1 ZINC001071104480 837734434 /nfs/dbraw/zinc/73/44/34/837734434.db2.gz ZGGJORDNOCFZAR-QBIMZIAESA-N 2 1 350.463 0.558 20 0 FCADMP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C(F)(F)F)C1=O ZINC001099344323 844036536 /nfs/dbraw/zinc/03/65/36/844036536.db2.gz ZFCIDTHSROVSRY-FRRDWIJNSA-N 2 1 362.396 0.292 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099344228 844036669 /nfs/dbraw/zinc/03/66/69/844036669.db2.gz XUQKCTVGTJEJBR-CHWSQXEVSA-N 2 1 360.384 0.390 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099345661 844037725 /nfs/dbraw/zinc/03/77/25/844037725.db2.gz NDBCYPVMOPYHGT-UTUOFQBUSA-N 2 1 350.385 0.325 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099345661 844037732 /nfs/dbraw/zinc/03/77/32/844037732.db2.gz NDBCYPVMOPYHGT-UTUOFQBUSA-N 2 1 350.385 0.325 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438146 844053240 /nfs/dbraw/zinc/05/32/40/844053240.db2.gz QYHPXGGZNAFSOP-PRLABOORSA-N 2 1 354.495 0.057 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438146 844053247 /nfs/dbraw/zinc/05/32/47/844053247.db2.gz QYHPXGGZNAFSOP-PRLABOORSA-N 2 1 354.495 0.057 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171512 844088063 /nfs/dbraw/zinc/08/80/63/844088063.db2.gz CRLVPSJZZNHTGT-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171512 844088070 /nfs/dbraw/zinc/08/80/70/844088070.db2.gz CRLVPSJZZNHTGT-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171512 844088078 /nfs/dbraw/zinc/08/80/78/844088078.db2.gz CRLVPSJZZNHTGT-GJYPPUQNSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](O)C[NH+]1CCN(CCCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249202479 836025729 /nfs/dbraw/zinc/02/57/29/836025729.db2.gz AHDBKXCERXAOMJ-VJANTYMQSA-N 2 1 356.555 0.150 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267760 844126191 /nfs/dbraw/zinc/12/61/91/844126191.db2.gz RFWRAJPQKMCKDN-AYBZRNKSSA-N 2 1 350.507 0.585 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267666 844126237 /nfs/dbraw/zinc/12/62/37/844126237.db2.gz ODPINDPSZTZQIE-LMMKCTJWSA-N 2 1 353.507 0.770 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271156 844127350 /nfs/dbraw/zinc/12/73/50/844127350.db2.gz HDAJRSVPAYOTLB-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271156 844127354 /nfs/dbraw/zinc/12/73/54/844127354.db2.gz HDAJRSVPAYOTLB-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101271156 844127359 /nfs/dbraw/zinc/12/73/59/844127359.db2.gz HDAJRSVPAYOTLB-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284854 844134389 /nfs/dbraw/zinc/13/43/89/844134389.db2.gz CGDONXQFDVGTCO-CLCXKQKWSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284854 844134392 /nfs/dbraw/zinc/13/43/92/844134392.db2.gz CGDONXQFDVGTCO-CLCXKQKWSA-N 2 1 352.523 0.974 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284854 844134394 /nfs/dbraw/zinc/13/43/94/844134394.db2.gz CGDONXQFDVGTCO-CLCXKQKWSA-N 2 1 352.523 0.974 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000748049608 836279527 /nfs/dbraw/zinc/27/95/27/836279527.db2.gz LXRSAMWRFBGIIQ-HUUCEWRRSA-N 2 1 355.483 0.672 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000751038103 836461218 /nfs/dbraw/zinc/46/12/18/836461218.db2.gz IYZHPGRUAHPHTC-CVEARBPZSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000751038103 836461224 /nfs/dbraw/zinc/46/12/24/836461224.db2.gz IYZHPGRUAHPHTC-CVEARBPZSA-N 2 1 369.579 0.878 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000751038103 836461231 /nfs/dbraw/zinc/46/12/31/836461231.db2.gz IYZHPGRUAHPHTC-CVEARBPZSA-N 2 1 369.579 0.878 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101437026 844185331 /nfs/dbraw/zinc/18/53/31/844185331.db2.gz ZCWUGXQGXAYCRQ-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101444008 844188423 /nfs/dbraw/zinc/18/84/23/844188423.db2.gz TZQYIIXVPWHARI-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101444008 844188425 /nfs/dbraw/zinc/18/84/25/844188425.db2.gz TZQYIIXVPWHARI-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101444008 844188429 /nfs/dbraw/zinc/18/84/29/844188429.db2.gz TZQYIIXVPWHARI-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101444008 844188431 /nfs/dbraw/zinc/18/84/31/844188431.db2.gz TZQYIIXVPWHARI-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001101461533 844193060 /nfs/dbraw/zinc/19/30/60/844193060.db2.gz HFMMLANSQQYCHY-WBVHZDCISA-N 2 1 357.520 0.297 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101461533 844193069 /nfs/dbraw/zinc/19/30/69/844193069.db2.gz HFMMLANSQQYCHY-WBVHZDCISA-N 2 1 357.520 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C3(C[NH+](C)C)CC3)CCC2)CC[N@H+]1C ZINC001063222051 836756846 /nfs/dbraw/zinc/75/68/46/836756846.db2.gz SOIREFGPVYCQNS-HUUCEWRRSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@H](O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001101550315 844211702 /nfs/dbraw/zinc/21/17/02/844211702.db2.gz BRBCHAOIMJRUCJ-ZMSDIMECSA-N 2 1 355.523 0.941 20 0 FCADMP C[C@H](O)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001101550315 844211713 /nfs/dbraw/zinc/21/17/13/844211713.db2.gz BRBCHAOIMJRUCJ-ZMSDIMECSA-N 2 1 355.523 0.941 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619988 837870750 /nfs/dbraw/zinc/87/07/50/837870750.db2.gz VSNBRFWVIKQLPU-YESZJQIVSA-N 2 1 369.531 0.438 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619988 837870761 /nfs/dbraw/zinc/87/07/61/837870761.db2.gz VSNBRFWVIKQLPU-YESZJQIVSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619988 837870767 /nfs/dbraw/zinc/87/07/67/837870767.db2.gz VSNBRFWVIKQLPU-YESZJQIVSA-N 2 1 369.531 0.438 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075619988 837870779 /nfs/dbraw/zinc/87/07/79/837870779.db2.gz VSNBRFWVIKQLPU-YESZJQIVSA-N 2 1 369.531 0.438 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324471 837982869 /nfs/dbraw/zinc/98/28/69/837982869.db2.gz UMCSEAKSYSVRRT-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324471 837982873 /nfs/dbraw/zinc/98/28/73/837982873.db2.gz UMCSEAKSYSVRRT-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418615 837998006 /nfs/dbraw/zinc/99/80/06/837998006.db2.gz GWMKHQFVZWIQNF-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418615 837998010 /nfs/dbraw/zinc/99/80/10/837998010.db2.gz GWMKHQFVZWIQNF-HYVNUMGLSA-N 2 1 350.507 0.774 20 0 FCADMP O=C(N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467240 838003904 /nfs/dbraw/zinc/00/39/04/838003904.db2.gz FXAOXQSTGQJYDA-OWCLPIDISA-N 2 1 367.515 0.050 20 0 FCADMP O=C(N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467240 838003913 /nfs/dbraw/zinc/00/39/13/838003913.db2.gz FXAOXQSTGQJYDA-OWCLPIDISA-N 2 1 367.515 0.050 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)CC[N@H+]1C ZINC001101984013 844360667 /nfs/dbraw/zinc/36/06/67/844360667.db2.gz VKCQHWMKVQAMQN-WCXIOVBPSA-N 2 1 352.523 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)CC[NH+]1C ZINC001101984013 844360676 /nfs/dbraw/zinc/36/06/76/844360676.db2.gz VKCQHWMKVQAMQN-WCXIOVBPSA-N 2 1 352.523 0.925 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)CC[NH+]1C ZINC001101984013 844360685 /nfs/dbraw/zinc/36/06/85/844360685.db2.gz VKCQHWMKVQAMQN-WCXIOVBPSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1O ZINC001077131560 838756865 /nfs/dbraw/zinc/75/68/65/838756865.db2.gz GERGEYNECADAIB-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077131560 838756877 /nfs/dbraw/zinc/75/68/77/838756877.db2.gz GERGEYNECADAIB-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077131560 838756889 /nfs/dbraw/zinc/75/68/89/838756889.db2.gz GERGEYNECADAIB-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001077147674 838769829 /nfs/dbraw/zinc/76/98/29/838769829.db2.gz BBAWPUVHRFTYOT-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001077147674 838769837 /nfs/dbraw/zinc/76/98/37/838769837.db2.gz BBAWPUVHRFTYOT-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001077147674 838769843 /nfs/dbraw/zinc/76/98/43/838769843.db2.gz BBAWPUVHRFTYOT-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077147674 838769850 /nfs/dbraw/zinc/76/98/50/838769850.db2.gz BBAWPUVHRFTYOT-XUWVNRHRSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2O)O1 ZINC001077220220 838823480 /nfs/dbraw/zinc/82/34/80/838823480.db2.gz GSJDTRFIPRDSBP-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2O)O1 ZINC001077220220 838823490 /nfs/dbraw/zinc/82/34/90/838823490.db2.gz GSJDTRFIPRDSBP-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2O)O1 ZINC001077220220 838823506 /nfs/dbraw/zinc/82/35/06/838823506.db2.gz GSJDTRFIPRDSBP-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)O1 ZINC001077220220 838823513 /nfs/dbraw/zinc/82/35/13/838823513.db2.gz GSJDTRFIPRDSBP-VDHUWJSZSA-N 2 1 353.507 0.837 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300046 838887016 /nfs/dbraw/zinc/88/70/16/838887016.db2.gz VBHRXZZLJLFQIS-HUUCEWRRSA-N 2 1 350.488 0.475 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077300046 838887029 /nfs/dbraw/zinc/88/70/29/838887029.db2.gz VBHRXZZLJLFQIS-HUUCEWRRSA-N 2 1 350.488 0.475 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418095 838958170 /nfs/dbraw/zinc/95/81/70/838958170.db2.gz IOWCNNMLFGTGBR-RVKOJVRFSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418095 838958175 /nfs/dbraw/zinc/95/81/75/838958175.db2.gz IOWCNNMLFGTGBR-RVKOJVRFSA-N 2 1 351.491 0.447 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418095 838958178 /nfs/dbraw/zinc/95/81/78/838958178.db2.gz IOWCNNMLFGTGBR-RVKOJVRFSA-N 2 1 351.491 0.447 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040789 844391883 /nfs/dbraw/zinc/39/18/83/844391883.db2.gz WGPPCLVTIPRXBB-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040789 844391886 /nfs/dbraw/zinc/39/18/86/844391886.db2.gz WGPPCLVTIPRXBB-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040789 844391892 /nfs/dbraw/zinc/39/18/92/844391892.db2.gz WGPPCLVTIPRXBB-IXDOHACOSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566981 839041802 /nfs/dbraw/zinc/04/18/02/839041802.db2.gz VYDSCUJGGUBTBZ-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566981 839041813 /nfs/dbraw/zinc/04/18/13/839041813.db2.gz VYDSCUJGGUBTBZ-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566981 839041822 /nfs/dbraw/zinc/04/18/22/839041822.db2.gz VYDSCUJGGUBTBZ-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2O)C1 ZINC001077566981 839041834 /nfs/dbraw/zinc/04/18/34/839041834.db2.gz VYDSCUJGGUBTBZ-KURKYZTESA-N 2 1 351.491 0.757 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048453 844395862 /nfs/dbraw/zinc/39/58/62/844395862.db2.gz CDKJKTHBWKYILK-FVQBIDKESA-N 2 1 351.495 0.036 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001077612395 839068263 /nfs/dbraw/zinc/06/82/63/839068263.db2.gz GIWLJXMXDMRZIH-HUUCEWRRSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001077612395 839068268 /nfs/dbraw/zinc/06/82/68/839068268.db2.gz GIWLJXMXDMRZIH-HUUCEWRRSA-N 2 1 352.504 0.763 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001077618404 839072637 /nfs/dbraw/zinc/07/26/37/839072637.db2.gz HOKNOBVDQBGBHV-QZTJIDSGSA-N 2 1 353.507 0.696 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001102088525 844408520 /nfs/dbraw/zinc/40/85/20/844408520.db2.gz ZAGPHOIBPWTHPA-DJIMGWMZSA-N 2 1 356.511 0.163 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102087934 844408925 /nfs/dbraw/zinc/40/89/25/844408925.db2.gz CBIGWXUAOACNQK-BZUAXINKSA-N 2 1 361.552 0.836 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006153 839288355 /nfs/dbraw/zinc/28/83/55/839288355.db2.gz UJBIGFYYBCINGF-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006153 839288366 /nfs/dbraw/zinc/28/83/66/839288366.db2.gz UJBIGFYYBCINGF-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006153 839288380 /nfs/dbraw/zinc/28/83/80/839288380.db2.gz UJBIGFYYBCINGF-RCCFBDPRSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102112740 844420725 /nfs/dbraw/zinc/42/07/25/844420725.db2.gz FCZDJRPUDPJHGB-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102112740 844420728 /nfs/dbraw/zinc/42/07/28/844420728.db2.gz FCZDJRPUDPJHGB-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001078012968 839292531 /nfs/dbraw/zinc/29/25/31/839292531.db2.gz KRKUGZADZPBHKI-HUUCEWRRSA-N 2 1 350.488 0.251 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001078012968 839292541 /nfs/dbraw/zinc/29/25/41/839292541.db2.gz KRKUGZADZPBHKI-HUUCEWRRSA-N 2 1 350.488 0.251 20 0 FCADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102112740 844420731 /nfs/dbraw/zinc/42/07/31/844420731.db2.gz FCZDJRPUDPJHGB-KURKYZTESA-N 2 1 355.523 0.800 20 0 FCADMP C[N@@H+](CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001079245779 839498592 /nfs/dbraw/zinc/49/85/92/839498592.db2.gz HGMHFFRSMCPQNC-DLBZAZTESA-N 2 1 351.491 0.402 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079681626 839572291 /nfs/dbraw/zinc/57/22/91/839572291.db2.gz UPSCKXOWNGBNCO-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079681626 839572283 /nfs/dbraw/zinc/57/22/83/839572283.db2.gz UPSCKXOWNGBNCO-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079681626 839572301 /nfs/dbraw/zinc/57/23/01/839572301.db2.gz UPSCKXOWNGBNCO-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294119 844459363 /nfs/dbraw/zinc/45/93/63/844459363.db2.gz KOXKLPZPCKMPFU-BRWVUGGUSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294247 844459441 /nfs/dbraw/zinc/45/94/41/844459441.db2.gz PTXRPGPQKNYFOD-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294247 844459444 /nfs/dbraw/zinc/45/94/44/844459444.db2.gz PTXRPGPQKNYFOD-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290743 844459456 /nfs/dbraw/zinc/45/94/56/844459456.db2.gz TZKCNYUMPYKMCS-QLFBSQMISA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102295616 844459512 /nfs/dbraw/zinc/45/95/12/844459512.db2.gz SPPKRISNPRELAK-HUUCEWRRSA-N 2 1 352.479 0.161 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294164 844459653 /nfs/dbraw/zinc/45/96/53/844459653.db2.gz MKMXZGJBYSKGQM-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382413 839714111 /nfs/dbraw/zinc/71/41/11/839714111.db2.gz KHJGGJXDJRTBFE-IIAWOOMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382413 839714122 /nfs/dbraw/zinc/71/41/22/839714122.db2.gz KHJGGJXDJRTBFE-IIAWOOMASA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318587 844466023 /nfs/dbraw/zinc/46/60/23/844466023.db2.gz ABXCYVAFKZZIBP-HUUCEWRRSA-N 2 1 359.536 0.447 20 0 FCADMP CCN(C(=O)C[NH+]1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080558341 839747228 /nfs/dbraw/zinc/74/72/28/839747228.db2.gz RCLGPSDZJQVXJV-ZMSDIMECSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080558341 839747235 /nfs/dbraw/zinc/74/72/35/839747235.db2.gz RCLGPSDZJQVXJV-ZMSDIMECSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C(=O)C[N@H+]1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001080558341 839747244 /nfs/dbraw/zinc/74/72/44/839747244.db2.gz RCLGPSDZJQVXJV-ZMSDIMECSA-N 2 1 350.507 0.870 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754737 839791596 /nfs/dbraw/zinc/79/15/96/839791596.db2.gz XIOMQZCFHQZLMT-CKEIUWERSA-N 2 1 350.507 0.679 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754737 839791603 /nfs/dbraw/zinc/79/16/03/839791603.db2.gz XIOMQZCFHQZLMT-CKEIUWERSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366398 844476034 /nfs/dbraw/zinc/47/60/34/844476034.db2.gz CZQLOGKRLCNRLB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366398 844476037 /nfs/dbraw/zinc/47/60/37/844476037.db2.gz CZQLOGKRLCNRLB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366398 844476039 /nfs/dbraw/zinc/47/60/39/844476039.db2.gz CZQLOGKRLCNRLB-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001080998651 839858063 /nfs/dbraw/zinc/85/80/63/839858063.db2.gz HTLKPMCEDKDFRU-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080998651 839858070 /nfs/dbraw/zinc/85/80/70/839858070.db2.gz HTLKPMCEDKDFRU-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080998651 839858088 /nfs/dbraw/zinc/85/80/88/839858088.db2.gz HTLKPMCEDKDFRU-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081673087 839994298 /nfs/dbraw/zinc/99/42/98/839994298.db2.gz XBXIDDDQGBOSJC-RCCFBDPRSA-N 2 1 351.491 0.570 20 0 FCADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683962 839999990 /nfs/dbraw/zinc/99/99/90/839999990.db2.gz YCDHZMQZHRRPNT-TVFCKZIOSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840770 840060589 /nfs/dbraw/zinc/06/05/89/840060589.db2.gz SUNKRDFSYFYEOL-GVDBMIGSSA-N 2 1 351.491 0.714 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102475201 844515924 /nfs/dbraw/zinc/51/59/24/844515924.db2.gz CVZBBJKISLEYQW-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066344 840170982 /nfs/dbraw/zinc/17/09/82/840170982.db2.gz MWJCCRMSCCWQNQ-DZJNRPSUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066344 840170988 /nfs/dbraw/zinc/17/09/88/840170988.db2.gz MWJCCRMSCCWQNQ-DZJNRPSUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066344 840170992 /nfs/dbraw/zinc/17/09/92/840170992.db2.gz MWJCCRMSCCWQNQ-DZJNRPSUSA-N 2 1 353.507 0.959 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102496139 844531162 /nfs/dbraw/zinc/53/11/62/844531162.db2.gz GNOBEHSNBKWLRC-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102496139 844531165 /nfs/dbraw/zinc/53/11/65/844531165.db2.gz GNOBEHSNBKWLRC-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102496139 844531168 /nfs/dbraw/zinc/53/11/68/844531168.db2.gz GNOBEHSNBKWLRC-RHSMWYFYSA-N 2 1 350.511 0.921 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371101 840358431 /nfs/dbraw/zinc/35/84/31/840358431.db2.gz SUZUJGVNNGHBHG-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371101 840358443 /nfs/dbraw/zinc/35/84/43/840358443.db2.gz SUZUJGVNNGHBHG-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371457 840360786 /nfs/dbraw/zinc/36/07/86/840360786.db2.gz KCFVUQUBTCSQGX-GVDBMIGSSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371457 840360797 /nfs/dbraw/zinc/36/07/97/840360797.db2.gz KCFVUQUBTCSQGX-GVDBMIGSSA-N 2 1 350.463 0.824 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496446 844530999 /nfs/dbraw/zinc/53/09/99/844530999.db2.gz WEWHFFWMULSHDJ-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496446 844531002 /nfs/dbraw/zinc/53/10/02/844531002.db2.gz WEWHFFWMULSHDJ-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496446 844531005 /nfs/dbraw/zinc/53/10/05/844531005.db2.gz WEWHFFWMULSHDJ-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082507368 840441480 /nfs/dbraw/zinc/44/14/80/840441480.db2.gz NYRIVQGSDQARPE-OAGGEKHMSA-N 2 1 351.495 0.321 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511262 844541854 /nfs/dbraw/zinc/54/18/54/844541854.db2.gz PNBHXIYAOSAVDS-GDBMZVCRSA-N 2 1 351.495 0.491 20 0 FCADMP Cc1nnsc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513211 844544255 /nfs/dbraw/zinc/54/42/55/844544255.db2.gz AEBANYWXVCPRBX-TZMCWYRMSA-N 2 1 355.508 0.609 20 0 FCADMP COc1nscc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513653 844544980 /nfs/dbraw/zinc/54/49/80/844544980.db2.gz VSNLGTPRMMKBNZ-ZIAGYGMSSA-N 2 1 370.519 0.914 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513953 844545153 /nfs/dbraw/zinc/54/51/53/844545153.db2.gz HHDYNQQTBPDPHR-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513953 844545160 /nfs/dbraw/zinc/54/51/60/844545160.db2.gz HHDYNQQTBPDPHR-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513953 844545169 /nfs/dbraw/zinc/54/51/69/844545169.db2.gz HHDYNQQTBPDPHR-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514548 844546384 /nfs/dbraw/zinc/54/63/84/844546384.db2.gz ASWJDUGLKKMEKV-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514548 844546387 /nfs/dbraw/zinc/54/63/87/844546387.db2.gz ASWJDUGLKKMEKV-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514548 844546390 /nfs/dbraw/zinc/54/63/90/844546390.db2.gz ASWJDUGLKKMEKV-BRWVUGGUSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082653625 840512716 /nfs/dbraw/zinc/51/27/16/840512716.db2.gz UMXLICRVZKIORB-LZLPTKFFSA-N 2 1 363.487 0.338 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082653625 840512720 /nfs/dbraw/zinc/51/27/20/840512720.db2.gz UMXLICRVZKIORB-LZLPTKFFSA-N 2 1 363.487 0.338 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCc1ccns1 ZINC001082807366 840569974 /nfs/dbraw/zinc/56/99/74/840569974.db2.gz DHCQPNVRRAIMJX-GDBMZVCRSA-N 2 1 352.504 0.844 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082921052 840601874 /nfs/dbraw/zinc/60/18/74/840601874.db2.gz SHLMOFBWMZDXKG-BPLDGKMQSA-N 2 1 352.504 0.606 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082920104 840601899 /nfs/dbraw/zinc/60/18/99/840601899.db2.gz QNQBMWDEBXILJZ-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001082933618 840612977 /nfs/dbraw/zinc/61/29/77/840612977.db2.gz APNBPGFZLSYPOT-XYPHTWIQSA-N 2 1 350.438 0.878 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001082933618 840612983 /nfs/dbraw/zinc/61/29/83/840612983.db2.gz APNBPGFZLSYPOT-XYPHTWIQSA-N 2 1 350.438 0.878 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001082933617 840613450 /nfs/dbraw/zinc/61/34/50/840613450.db2.gz APNBPGFZLSYPOT-KBRIMQKVSA-N 2 1 350.438 0.878 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(F)c3)C2)C1 ZINC001082933617 840613451 /nfs/dbraw/zinc/61/34/51/840613451.db2.gz APNBPGFZLSYPOT-KBRIMQKVSA-N 2 1 350.438 0.878 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)C1CC1 ZINC001102579163 844572447 /nfs/dbraw/zinc/57/24/47/844572447.db2.gz KXNAIDDSIOQGAH-HLLBOEOZSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579251 844572877 /nfs/dbraw/zinc/57/28/77/844572877.db2.gz PEZRSQDQFLLJBU-KZNAEPCWSA-N 2 1 355.523 0.800 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083182910 840779681 /nfs/dbraw/zinc/77/96/81/840779681.db2.gz CTJUNLNDTXVUSQ-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1)CS(C)(=O)=O ZINC001102579356 844574640 /nfs/dbraw/zinc/57/46/40/844574640.db2.gz UCFFCAFGZIMMJI-ARFHVFGLSA-N 2 1 359.536 0.447 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583111 844577303 /nfs/dbraw/zinc/57/73/03/844577303.db2.gz SYTNRRAGFWHFRD-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248289 840832580 /nfs/dbraw/zinc/83/25/80/840832580.db2.gz YYRPCTCYEZZBNO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248289 840832587 /nfs/dbraw/zinc/83/25/87/840832587.db2.gz YYRPCTCYEZZBNO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083248289 840832594 /nfs/dbraw/zinc/83/25/94/840832594.db2.gz YYRPCTCYEZZBNO-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563639 841174409 /nfs/dbraw/zinc/17/44/09/841174409.db2.gz YQPZXLPDRRPMDT-ZACQAIPSSA-N 2 1 351.491 0.450 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)C1CCC1 ZINC001083602068 841221360 /nfs/dbraw/zinc/22/13/60/841221360.db2.gz CKYGDVVUXKYOBO-IKGGRYGDSA-N 2 1 351.491 0.591 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001083696307 841326074 /nfs/dbraw/zinc/32/60/74/841326074.db2.gz UULMXWDUGJFWPA-IXDOHACOSA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001083696306 841327077 /nfs/dbraw/zinc/32/70/77/841327077.db2.gz UULMXWDUGJFWPA-IKGGRYGDSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083733620 841375246 /nfs/dbraw/zinc/37/52/46/841375246.db2.gz WEILAYUAFCMDPF-IMJJTQAJSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083733620 841375258 /nfs/dbraw/zinc/37/52/58/841375258.db2.gz WEILAYUAFCMDPF-IMJJTQAJSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083733493 841376639 /nfs/dbraw/zinc/37/66/39/841376639.db2.gz QLWYZNLVHWZVQQ-BMFZPTHFSA-N 2 1 351.447 0.543 20 0 FCADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083733493 841376652 /nfs/dbraw/zinc/37/66/52/841376652.db2.gz QLWYZNLVHWZVQQ-BMFZPTHFSA-N 2 1 351.447 0.543 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](O)C3)[C@@H]2C1 ZINC001275799905 861195714 /nfs/dbraw/zinc/19/57/14/861195714.db2.gz OUZNRUHSYLRYOZ-SOUVJXGZSA-N 2 1 350.488 0.551 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783041 841434368 /nfs/dbraw/zinc/43/43/68/841434368.db2.gz XRUAKSRHUHXNDQ-ZACQAIPSSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783041 841434377 /nfs/dbraw/zinc/43/43/77/841434377.db2.gz XRUAKSRHUHXNDQ-ZACQAIPSSA-N 2 1 353.507 0.696 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001083783041 841434384 /nfs/dbraw/zinc/43/43/84/841434384.db2.gz XRUAKSRHUHXNDQ-ZACQAIPSSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083826116 841467168 /nfs/dbraw/zinc/46/71/68/841467168.db2.gz ANJCLZMKSRAYQH-XHSDSOJGSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083826116 841467173 /nfs/dbraw/zinc/46/71/73/841467173.db2.gz ANJCLZMKSRAYQH-XHSDSOJGSA-N 2 1 350.463 0.594 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083832916 841477161 /nfs/dbraw/zinc/47/71/61/841477161.db2.gz AIXNQIVABIWWMR-ILXRZTDVSA-N 2 1 361.433 0.304 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083832916 841477170 /nfs/dbraw/zinc/47/71/70/841477170.db2.gz AIXNQIVABIWWMR-ILXRZTDVSA-N 2 1 361.433 0.304 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833493 841478416 /nfs/dbraw/zinc/47/84/16/841478416.db2.gz DZIBISMHCGBMFD-CABCVRRESA-N 2 1 352.504 0.845 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833493 841478424 /nfs/dbraw/zinc/47/84/24/841478424.db2.gz DZIBISMHCGBMFD-CABCVRRESA-N 2 1 352.504 0.845 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)CC1 ZINC001083908756 841556902 /nfs/dbraw/zinc/55/69/02/841556902.db2.gz VNGYLSIVHKGUQK-MSOLQXFVSA-N 2 1 353.507 0.837 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953569 841600091 /nfs/dbraw/zinc/60/00/91/841600091.db2.gz XAJKXHJRIFKRBW-XYPHTWIQSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953569 841600094 /nfs/dbraw/zinc/60/00/94/841600094.db2.gz XAJKXHJRIFKRBW-XYPHTWIQSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953569 841600100 /nfs/dbraw/zinc/60/01/00/841600100.db2.gz XAJKXHJRIFKRBW-XYPHTWIQSA-N 2 1 350.463 0.549 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953569 841600105 /nfs/dbraw/zinc/60/01/05/841600105.db2.gz XAJKXHJRIFKRBW-XYPHTWIQSA-N 2 1 350.463 0.549 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833838 861218833 /nfs/dbraw/zinc/21/88/33/861218833.db2.gz RNXRHCWGCIKZTL-LJQANCHMSA-N 2 1 350.507 0.779 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053749 841667294 /nfs/dbraw/zinc/66/72/94/841667294.db2.gz JQLHVZQLRZFQKP-XYPHTWIQSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053749 841667305 /nfs/dbraw/zinc/66/73/05/841667305.db2.gz JQLHVZQLRZFQKP-XYPHTWIQSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053749 841667312 /nfs/dbraw/zinc/66/73/12/841667312.db2.gz JQLHVZQLRZFQKP-XYPHTWIQSA-N 2 1 353.413 0.620 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@@H]2O)C1 ZINC001084053749 841667319 /nfs/dbraw/zinc/66/73/19/841667319.db2.gz JQLHVZQLRZFQKP-XYPHTWIQSA-N 2 1 353.413 0.620 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056866 841670651 /nfs/dbraw/zinc/67/06/51/841670651.db2.gz RCAXVQXKZUWARW-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056866 841670656 /nfs/dbraw/zinc/67/06/56/841670656.db2.gz RCAXVQXKZUWARW-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056866 841670660 /nfs/dbraw/zinc/67/06/60/841670660.db2.gz RCAXVQXKZUWARW-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001084056866 841670664 /nfs/dbraw/zinc/67/06/64/841670664.db2.gz RCAXVQXKZUWARW-XYPHTWIQSA-N 2 1 351.422 0.318 20 0 FCADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084405243 841787979 /nfs/dbraw/zinc/78/79/79/841787979.db2.gz DQJZZUVLWSZODM-KBAYOESNSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084405243 841787984 /nfs/dbraw/zinc/78/79/84/841787984.db2.gz DQJZZUVLWSZODM-KBAYOESNSA-N 2 1 351.491 0.545 20 0 FCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084405243 841787991 /nfs/dbraw/zinc/78/79/91/841787991.db2.gz DQJZZUVLWSZODM-KBAYOESNSA-N 2 1 351.491 0.545 20 0 FCADMP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878895 861244346 /nfs/dbraw/zinc/24/43/46/861244346.db2.gz MQFANLMTCKRCPG-VDZJLULYSA-N 2 1 351.491 0.857 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880112 861248083 /nfs/dbraw/zinc/24/80/83/861248083.db2.gz UCALFPXVDUJWKF-HNAYVOBHSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880112 861248096 /nfs/dbraw/zinc/24/80/96/861248096.db2.gz UCALFPXVDUJWKF-HNAYVOBHSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880112 861248107 /nfs/dbraw/zinc/24/81/07/861248107.db2.gz UCALFPXVDUJWKF-HNAYVOBHSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CCOC3CCC3)C[C@H]21 ZINC001084722587 841900797 /nfs/dbraw/zinc/90/07/97/841900797.db2.gz VXGZCMOIDKBSSB-SJLPKXTDSA-N 2 1 351.491 0.811 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CCOC3CCC3)C[C@H]21 ZINC001084722587 841900800 /nfs/dbraw/zinc/90/08/00/841900800.db2.gz VXGZCMOIDKBSSB-SJLPKXTDSA-N 2 1 351.491 0.811 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001275892506 861250615 /nfs/dbraw/zinc/25/06/15/861250615.db2.gz DDNLODLYJLOSKZ-IBGZPJMESA-N 2 1 350.507 0.873 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049109 841998463 /nfs/dbraw/zinc/99/84/63/841998463.db2.gz AYPRCSBDONSCRQ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049109 841998465 /nfs/dbraw/zinc/99/84/65/841998465.db2.gz AYPRCSBDONSCRQ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049109 841998466 /nfs/dbraw/zinc/99/84/66/841998466.db2.gz AYPRCSBDONSCRQ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049109 841998468 /nfs/dbraw/zinc/99/84/68/841998468.db2.gz AYPRCSBDONSCRQ-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400624 842131115 /nfs/dbraw/zinc/13/11/15/842131115.db2.gz PDKVZDKIYVILPX-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400624 842131118 /nfs/dbraw/zinc/13/11/18/842131118.db2.gz PDKVZDKIYVILPX-BNGXUDDSSA-N 2 1 350.463 0.995 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001086665234 842145988 /nfs/dbraw/zinc/14/59/88/842145988.db2.gz XORVCFKJUJPNLL-LXZKKBNFSA-N 2 1 350.438 0.926 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC001086665234 842145995 /nfs/dbraw/zinc/14/59/95/842145995.db2.gz XORVCFKJUJPNLL-LXZKKBNFSA-N 2 1 350.438 0.926 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001086873575 842186303 /nfs/dbraw/zinc/18/63/03/842186303.db2.gz OJTZKIMCEUCDTN-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001087038569 842236811 /nfs/dbraw/zinc/23/68/11/842236811.db2.gz NCWDMPXCEZXRHV-FVQBIDKESA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001087038569 842236819 /nfs/dbraw/zinc/23/68/19/842236819.db2.gz NCWDMPXCEZXRHV-FVQBIDKESA-N 2 1 368.503 0.427 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087059556 842255653 /nfs/dbraw/zinc/25/56/53/842255653.db2.gz LDVSWWLCTUXXIP-CZUORRHYSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083792 842276005 /nfs/dbraw/zinc/27/60/05/842276005.db2.gz SLHCHAGGIZHCFS-IIAWOOMASA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083792 842276012 /nfs/dbraw/zinc/27/60/12/842276012.db2.gz SLHCHAGGIZHCFS-IIAWOOMASA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083793 842276945 /nfs/dbraw/zinc/27/69/45/842276945.db2.gz SLHCHAGGIZHCFS-SQWLQELKSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083793 842276955 /nfs/dbraw/zinc/27/69/55/842276955.db2.gz SLHCHAGGIZHCFS-SQWLQELKSA-N 2 1 367.519 0.976 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107385 842532458 /nfs/dbraw/zinc/53/24/58/842532458.db2.gz VIFCUKLIRPVBDU-XHSDSOJGSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107385 842532467 /nfs/dbraw/zinc/53/24/67/842532467.db2.gz VIFCUKLIRPVBDU-XHSDSOJGSA-N 2 1 350.507 0.633 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107385 842532473 /nfs/dbraw/zinc/53/24/73/842532473.db2.gz VIFCUKLIRPVBDU-XHSDSOJGSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088109611 842535424 /nfs/dbraw/zinc/53/54/24/842535424.db2.gz OBJWAMKAIAJASL-PMPSAXMXSA-N 2 1 351.495 0.132 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569452 842615378 /nfs/dbraw/zinc/61/53/78/842615378.db2.gz UUVHJCLFYXNCMD-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569452 842615385 /nfs/dbraw/zinc/61/53/85/842615385.db2.gz UUVHJCLFYXNCMD-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569452 842615393 /nfs/dbraw/zinc/61/53/93/842615393.db2.gz UUVHJCLFYXNCMD-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569452 842615400 /nfs/dbraw/zinc/61/54/00/842615400.db2.gz UUVHJCLFYXNCMD-VYDXJSESSA-N 2 1 350.507 0.966 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417195 842773471 /nfs/dbraw/zinc/77/34/71/842773471.db2.gz WCGZZEVOVBWXMO-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417195 842773479 /nfs/dbraw/zinc/77/34/79/842773479.db2.gz WCGZZEVOVBWXMO-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417195 842773486 /nfs/dbraw/zinc/77/34/86/842773486.db2.gz WCGZZEVOVBWXMO-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089417195 842773493 /nfs/dbraw/zinc/77/34/93/842773493.db2.gz WCGZZEVOVBWXMO-RBSFLKMASA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001091038591 842936671 /nfs/dbraw/zinc/93/66/71/842936671.db2.gz ANSSUGGADOJDGS-SJJHQCBESA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](CCC(=O)OC)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276270273 861378787 /nfs/dbraw/zinc/37/87/87/861378787.db2.gz UDRWDNBGZBLVTE-OAHLLOKOSA-N 2 1 355.479 0.441 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001091738064 843086084 /nfs/dbraw/zinc/08/60/84/843086084.db2.gz OLGPQRGOAPBWIM-VYDXJSESSA-N 2 1 357.520 0.152 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)C1CC1 ZINC001091738064 843086095 /nfs/dbraw/zinc/08/60/95/843086095.db2.gz OLGPQRGOAPBWIM-VYDXJSESSA-N 2 1 357.520 0.152 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CCCF)C[C@@]2(C)C1 ZINC001091737135 843086694 /nfs/dbraw/zinc/08/66/94/843086694.db2.gz JJOYQGFDANRDEB-RYRKJORJSA-N 2 1 351.470 0.953 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@@H+](CCCF)C[C@@]2(C)C1 ZINC001091737135 843086704 /nfs/dbraw/zinc/08/67/04/843086704.db2.gz JJOYQGFDANRDEB-RYRKJORJSA-N 2 1 351.470 0.953 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754515 843088140 /nfs/dbraw/zinc/08/81/40/843088140.db2.gz SJXLNUSXDNIFOH-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754515 843088146 /nfs/dbraw/zinc/08/81/46/843088146.db2.gz SJXLNUSXDNIFOH-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754515 843088152 /nfs/dbraw/zinc/08/81/52/843088152.db2.gz SJXLNUSXDNIFOH-GJYPPUQNSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131209 843164803 /nfs/dbraw/zinc/16/48/03/843164803.db2.gz PJLKHENFXRBUIM-MDZRGWNJSA-N 2 1 350.507 0.763 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199214 843169498 /nfs/dbraw/zinc/16/94/98/843169498.db2.gz HIKVIRFHOWZMFB-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199214 843169501 /nfs/dbraw/zinc/16/95/01/843169501.db2.gz HIKVIRFHOWZMFB-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199214 843169506 /nfs/dbraw/zinc/16/95/06/843169506.db2.gz HIKVIRFHOWZMFB-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001092199214 843169513 /nfs/dbraw/zinc/16/95/13/843169513.db2.gz HIKVIRFHOWZMFB-INMHGKMJSA-N 2 1 357.520 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)CC[N@H+]1C ZINC001092618703 843253578 /nfs/dbraw/zinc/25/35/78/843253578.db2.gz YXCBZTPBLZFUTD-WCXIOVBPSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)CC[NH+]1C ZINC001092618703 843253588 /nfs/dbraw/zinc/25/35/88/843253588.db2.gz YXCBZTPBLZFUTD-WCXIOVBPSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)CC[NH+]1C ZINC001092618703 843253607 /nfs/dbraw/zinc/25/36/07/843253607.db2.gz YXCBZTPBLZFUTD-WCXIOVBPSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734805 843287432 /nfs/dbraw/zinc/28/74/32/843287432.db2.gz IQOSQUVQTOMKGS-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734805 843287442 /nfs/dbraw/zinc/28/74/42/843287442.db2.gz IQOSQUVQTOMKGS-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734805 843287453 /nfs/dbraw/zinc/28/74/53/843287453.db2.gz IQOSQUVQTOMKGS-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734715 843288943 /nfs/dbraw/zinc/28/89/43/843288943.db2.gz FJJQEGNAEDECAG-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734715 843288956 /nfs/dbraw/zinc/28/89/56/843288956.db2.gz FJJQEGNAEDECAG-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734715 843288968 /nfs/dbraw/zinc/28/89/68/843288968.db2.gz FJJQEGNAEDECAG-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001276309627 861405796 /nfs/dbraw/zinc/40/57/96/861405796.db2.gz YYNILLVZKFQRHG-IEBWSBKVSA-N 2 1 350.507 0.731 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936816 843348176 /nfs/dbraw/zinc/34/81/76/843348176.db2.gz JPQAGPPRCLMRMC-OIISXLGYSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936697 843348594 /nfs/dbraw/zinc/34/85/94/843348594.db2.gz HMEYGJCGRYQRCD-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194923 843403918 /nfs/dbraw/zinc/40/39/18/843403918.db2.gz GOSVFTMUMRWFQJ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194923 843403921 /nfs/dbraw/zinc/40/39/21/843403921.db2.gz GOSVFTMUMRWFQJ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194923 843403924 /nfs/dbraw/zinc/40/39/24/843403924.db2.gz GOSVFTMUMRWFQJ-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093470603 843439732 /nfs/dbraw/zinc/43/97/32/843439732.db2.gz XHLGTCXQCFCWCB-PSBWJHGTSA-N 2 1 353.507 0.695 20 0 FCADMP CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093470604 843440237 /nfs/dbraw/zinc/44/02/37/843440237.db2.gz XHLGTCXQCFCWCB-RWQQGDIJSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690497 843455810 /nfs/dbraw/zinc/45/58/10/843455810.db2.gz YAEZTNSVFIRASX-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690497 843455816 /nfs/dbraw/zinc/45/58/16/843455816.db2.gz YAEZTNSVFIRASX-XPKDYRNWSA-N 2 1 352.504 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093825986 843475350 /nfs/dbraw/zinc/47/53/50/843475350.db2.gz VQXHXTZBNPGYGC-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094043890 843507324 /nfs/dbraw/zinc/50/73/24/843507324.db2.gz BHTTVQVTTZHPBJ-OAGGEKHMSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001094111050 843517335 /nfs/dbraw/zinc/51/73/35/843517335.db2.gz WHFYDMGHODPGEX-SJLPKXTDSA-N 2 1 353.507 0.819 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001094219234 843531565 /nfs/dbraw/zinc/53/15/65/843531565.db2.gz GLPFKVRMFOOHDH-MGPQQGTHSA-N 2 1 351.451 0.352 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)C1 ZINC001094232339 843538207 /nfs/dbraw/zinc/53/82/07/843538207.db2.gz SKEXGMWOIKUHEZ-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)s3)[C@H](C)C2)C1 ZINC001094232339 843538215 /nfs/dbraw/zinc/53/82/15/843538215.db2.gz SKEXGMWOIKUHEZ-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP COC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293300 843543284 /nfs/dbraw/zinc/54/32/84/843543284.db2.gz JAHMXNJMFYNRNR-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP COC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293300 843543293 /nfs/dbraw/zinc/54/32/93/843543293.db2.gz JAHMXNJMFYNRNR-WOSRLPQWSA-N 2 1 350.467 0.126 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC)CC2 ZINC001094584940 843563446 /nfs/dbraw/zinc/56/34/46/843563446.db2.gz JTJFWNJPMGTXOB-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC)CC2 ZINC001094584940 843563448 /nfs/dbraw/zinc/56/34/48/843563448.db2.gz JTJFWNJPMGTXOB-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC001094584940 843563453 /nfs/dbraw/zinc/56/34/53/843563453.db2.gz JTJFWNJPMGTXOB-FRQCXROJSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001095267830 843712234 /nfs/dbraw/zinc/71/22/34/843712234.db2.gz JVLFYCPMCNQFBJ-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001095267830 843712245 /nfs/dbraw/zinc/71/22/45/843712245.db2.gz JVLFYCPMCNQFBJ-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCOCC2)C1 ZINC001095267830 843712254 /nfs/dbraw/zinc/71/22/54/843712254.db2.gz JVLFYCPMCNQFBJ-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCOCC2)C1 ZINC001095267830 843712265 /nfs/dbraw/zinc/71/22/65/843712265.db2.gz JVLFYCPMCNQFBJ-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP COC(=O)c1cnc(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)s1 ZINC001276445540 861451238 /nfs/dbraw/zinc/45/12/38/861451238.db2.gz JLZRPCOEYBSOOB-KRWDZBQOSA-N 2 1 366.487 0.916 20 0 FCADMP COC(=O)c1cnc(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)s1 ZINC001276445540 861451243 /nfs/dbraw/zinc/45/12/43/861451243.db2.gz JLZRPCOEYBSOOB-KRWDZBQOSA-N 2 1 366.487 0.916 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269336 843787681 /nfs/dbraw/zinc/78/76/81/843787681.db2.gz PVSPCHXZZJIXOA-ORQFMDKSSA-N 2 1 350.507 0.963 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269336 843787686 /nfs/dbraw/zinc/78/76/86/843787686.db2.gz PVSPCHXZZJIXOA-ORQFMDKSSA-N 2 1 350.507 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)CC[N@H+]1C ZINC001098846925 843939976 /nfs/dbraw/zinc/93/99/76/843939976.db2.gz XZIGNLLDOIQFJE-GGXPGOJBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001098846925 843939980 /nfs/dbraw/zinc/93/99/80/843939980.db2.gz XZIGNLLDOIQFJE-GGXPGOJBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001098846925 843939983 /nfs/dbraw/zinc/93/99/83/843939983.db2.gz XZIGNLLDOIQFJE-GGXPGOJBSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C3)CC1 ZINC001099101328 843962082 /nfs/dbraw/zinc/96/20/82/843962082.db2.gz SYWMMQSTIRKPLZ-QOKNQOGYSA-N 2 1 350.507 0.951 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099250461 843990547 /nfs/dbraw/zinc/99/05/47/843990547.db2.gz NJFBMVIUSHCMKE-UTUOFQBUSA-N 2 1 350.385 0.323 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099250461 843990552 /nfs/dbraw/zinc/99/05/52/843990552.db2.gz NJFBMVIUSHCMKE-UTUOFQBUSA-N 2 1 350.385 0.323 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001099262273 843995627 /nfs/dbraw/zinc/99/56/27/843995627.db2.gz GPCPOJZFIVGREC-GRYCIOLGSA-N 2 1 362.396 0.338 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099295866 844009315 /nfs/dbraw/zinc/00/93/15/844009315.db2.gz XEAAZALFKKVDRH-JHJVBQTASA-N 2 1 364.412 0.573 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001099295866 844009317 /nfs/dbraw/zinc/00/93/17/844009317.db2.gz XEAAZALFKKVDRH-JHJVBQTASA-N 2 1 364.412 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780874 844646167 /nfs/dbraw/zinc/64/61/67/844646167.db2.gz SDGUIRPPTAVEHZ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102780874 844646168 /nfs/dbraw/zinc/64/61/68/844646168.db2.gz SDGUIRPPTAVEHZ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102780874 844646174 /nfs/dbraw/zinc/64/61/74/844646174.db2.gz SDGUIRPPTAVEHZ-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818785 844652988 /nfs/dbraw/zinc/65/29/88/844652988.db2.gz HIWHUXQFDYDPNG-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818785 844652979 /nfs/dbraw/zinc/65/29/79/844652979.db2.gz HIWHUXQFDYDPNG-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818785 844652984 /nfs/dbraw/zinc/65/29/84/844652984.db2.gz HIWHUXQFDYDPNG-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818785 844652993 /nfs/dbraw/zinc/65/29/93/844652993.db2.gz HIWHUXQFDYDPNG-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103004862 844683572 /nfs/dbraw/zinc/68/35/72/844683572.db2.gz BXTJNQMHCVPVEU-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103004862 844683576 /nfs/dbraw/zinc/68/35/76/844683576.db2.gz BXTJNQMHCVPVEU-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001103004862 844683582 /nfs/dbraw/zinc/68/35/82/844683582.db2.gz BXTJNQMHCVPVEU-QBPKDAKJSA-N 2 1 373.563 0.836 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103050137 844690430 /nfs/dbraw/zinc/69/04/30/844690430.db2.gz UCNSOOBDPNSSDK-OAGGEKHMSA-N 2 1 358.502 0.877 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103088075 844698943 /nfs/dbraw/zinc/69/89/43/844698943.db2.gz VLDNIVYNQBVFDT-FVQBIDKESA-N 2 1 359.536 0.445 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373417 844744812 /nfs/dbraw/zinc/74/48/12/844744812.db2.gz QEFOEXRGAXQBCS-HZSPNIEDSA-N 2 1 350.463 0.903 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395918 844750530 /nfs/dbraw/zinc/75/05/30/844750530.db2.gz SJHHENJHMVYFJN-OIISXLGYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103433950 844756961 /nfs/dbraw/zinc/75/69/61/844756961.db2.gz OTRUJFCVLINWCJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001103433950 844756966 /nfs/dbraw/zinc/75/69/66/844756966.db2.gz OTRUJFCVLINWCJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001103433950 844756971 /nfs/dbraw/zinc/75/69/71/844756971.db2.gz OTRUJFCVLINWCJ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433982 844757685 /nfs/dbraw/zinc/75/76/85/844757685.db2.gz QFLFVKYXZVTPPT-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433982 844757691 /nfs/dbraw/zinc/75/76/91/844757691.db2.gz QFLFVKYXZVTPPT-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433982 844757695 /nfs/dbraw/zinc/75/76/95/844757695.db2.gz QFLFVKYXZVTPPT-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497695 844768792 /nfs/dbraw/zinc/76/87/92/844768792.db2.gz TUTHVIVSGSWWRP-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001103520222 844772582 /nfs/dbraw/zinc/77/25/82/844772582.db2.gz JGNDGWKJSBLWJQ-HZPDHXFCSA-N 2 1 351.495 0.779 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536823 844775474 /nfs/dbraw/zinc/77/54/74/844775474.db2.gz FEPOMAQGIXWZIR-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536823 844775482 /nfs/dbraw/zinc/77/54/82/844775482.db2.gz FEPOMAQGIXWZIR-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103612565 844787618 /nfs/dbraw/zinc/78/76/18/844787618.db2.gz JQAQOXFCAYWWNQ-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103612565 844787620 /nfs/dbraw/zinc/78/76/20/844787620.db2.gz JQAQOXFCAYWWNQ-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103612565 844787623 /nfs/dbraw/zinc/78/76/23/844787623.db2.gz JQAQOXFCAYWWNQ-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103612565 844787625 /nfs/dbraw/zinc/78/76/25/844787625.db2.gz JQAQOXFCAYWWNQ-RBSFLKMASA-N 2 1 351.499 0.687 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755300 844817249 /nfs/dbraw/zinc/81/72/49/844817249.db2.gz AQCSOUOSUCFRSX-KFWWJZLASA-N 2 1 352.479 0.206 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755300 844817253 /nfs/dbraw/zinc/81/72/53/844817253.db2.gz AQCSOUOSUCFRSX-KFWWJZLASA-N 2 1 352.479 0.206 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755300 844817256 /nfs/dbraw/zinc/81/72/56/844817256.db2.gz AQCSOUOSUCFRSX-KFWWJZLASA-N 2 1 352.479 0.206 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1COC(C)(C)O1)C2 ZINC001276617198 861501853 /nfs/dbraw/zinc/50/18/53/861501853.db2.gz HZDODYZSGCYHMC-CRAIPNDOSA-N 2 1 355.479 0.250 20 0 FCADMP CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001276630362 861506368 /nfs/dbraw/zinc/50/63/68/861506368.db2.gz PKRMYQDHIFFBOG-APWZRJJASA-N 2 1 350.507 0.526 20 0 FCADMP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104286424 844890452 /nfs/dbraw/zinc/89/04/52/844890452.db2.gz CGSPXYZXNFLAFC-ZACQAIPSSA-N 2 1 352.523 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CCO ZINC001104289526 844890622 /nfs/dbraw/zinc/89/06/22/844890622.db2.gz LTCIQZMRUWIYAR-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104794845 844944392 /nfs/dbraw/zinc/94/43/92/844944392.db2.gz HWZAOKWGHZJAEF-HUUCEWRRSA-N 2 1 367.519 0.835 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104908104 844958597 /nfs/dbraw/zinc/95/85/97/844958597.db2.gz JLMJTKJRTFVEGD-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCCCCC(N)=O)C2)C1=O ZINC001276670703 861526149 /nfs/dbraw/zinc/52/61/49/861526149.db2.gz KBXWXCJDPOIILG-GOSISDBHSA-N 2 1 352.479 0.435 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C[NH2+]CCCO ZINC001106246723 845142978 /nfs/dbraw/zinc/14/29/78/845142978.db2.gz QBTTWOJGMOTFCM-JFIYKMOQSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106255784 845144529 /nfs/dbraw/zinc/14/45/29/845144529.db2.gz IQUMDEZAQMJBKA-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001106309802 845153110 /nfs/dbraw/zinc/15/31/10/845153110.db2.gz FONRPYHAVADIBC-YFHUEUNASA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001106309802 845153116 /nfs/dbraw/zinc/15/31/16/845153116.db2.gz FONRPYHAVADIBC-YFHUEUNASA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106352358 845161615 /nfs/dbraw/zinc/16/16/15/845161615.db2.gz OVXUOBWLCVJTAE-CHWSQXEVSA-N 2 1 351.451 0.122 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)C1 ZINC001106570984 845196594 /nfs/dbraw/zinc/19/65/94/845196594.db2.gz IGLSLHHNKUBTLL-KZNAEPCWSA-N 2 1 355.523 0.801 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668752 845219801 /nfs/dbraw/zinc/21/98/01/845219801.db2.gz OSPRNEKIDILUOO-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106668216 845220141 /nfs/dbraw/zinc/22/01/41/845220141.db2.gz IGNVKCNICZQCPW-QLFBSQMISA-N 2 1 350.463 0.949 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715806 845231225 /nfs/dbraw/zinc/23/12/25/845231225.db2.gz KYLDJEPQAIZXBT-BZUAXINKSA-N 2 1 352.479 0.698 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106765159 845247821 /nfs/dbraw/zinc/24/78/21/845247821.db2.gz QFFOMBYCCMJEMU-OWCLPIDISA-N 2 1 354.495 0.047 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106905226 845283206 /nfs/dbraw/zinc/28/32/06/845283206.db2.gz GEPGWDMAKFMELK-KFWWJZLASA-N 2 1 352.479 0.208 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106910922 845283844 /nfs/dbraw/zinc/28/38/44/845283844.db2.gz VRDORIMGBPQGQO-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001106909485 845284990 /nfs/dbraw/zinc/28/49/90/845284990.db2.gz KHQMIOACAZAKDG-ZIAGYGMSSA-N 2 1 352.483 0.662 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106981541 845299605 /nfs/dbraw/zinc/29/96/05/845299605.db2.gz TWVQKHRIXVOHGQ-HZSPNIEDSA-N 2 1 365.503 0.717 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106981493 845299915 /nfs/dbraw/zinc/29/99/15/845299915.db2.gz QNOBTYTVGGDCCZ-BZUAXINKSA-N 2 1 352.523 0.785 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001107042406 845316906 /nfs/dbraw/zinc/31/69/06/845316906.db2.gz LIDKGKLTSOAQCW-ZIAGYGMSSA-N 2 1 351.451 0.637 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[NH+](C)C ZINC001107444703 845375438 /nfs/dbraw/zinc/37/54/38/845375438.db2.gz WQKABXJQOJOQBI-ZIFCJYIRSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)CC1 ZINC001107530184 845392389 /nfs/dbraw/zinc/39/23/89/845392389.db2.gz KUFJZOJJAOEVOE-IEBWSBKVSA-N 2 1 353.507 0.698 20 0 FCADMP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[NH+](C)C ZINC001107534083 845393117 /nfs/dbraw/zinc/39/31/17/845393117.db2.gz WQKABXJQOJOQBI-ZHALLVOQSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCS(C)(=O)=O)CC2 ZINC001107533966 845393284 /nfs/dbraw/zinc/39/32/84/845393284.db2.gz PIQFTUKTZZODCJ-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534123 845394168 /nfs/dbraw/zinc/39/41/68/845394168.db2.gz YKXCXSZFINIYRC-YWTNHNAXSA-N 2 1 355.523 0.941 20 0 FCADMP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107598514 845405926 /nfs/dbraw/zinc/40/59/26/845405926.db2.gz GLXZSEXHIVYVRJ-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001107598514 845405930 /nfs/dbraw/zinc/40/59/30/845405930.db2.gz GLXZSEXHIVYVRJ-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107598514 845405934 /nfs/dbraw/zinc/40/59/34/845405934.db2.gz GLXZSEXHIVYVRJ-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107598514 845405941 /nfs/dbraw/zinc/40/59/41/845405941.db2.gz GLXZSEXHIVYVRJ-NVXWUHKLSA-N 2 1 359.536 0.734 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC001107633737 845411770 /nfs/dbraw/zinc/41/17/70/845411770.db2.gz BFZPJENSGFRJLJ-YQVWRLOYSA-N 2 1 353.507 0.698 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001276744301 861574022 /nfs/dbraw/zinc/57/40/22/861574022.db2.gz SJKPIKUCURGWPY-QGZVFWFLSA-N 2 1 368.503 0.632 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756950 861585736 /nfs/dbraw/zinc/58/57/36/861585736.db2.gz JXWGVYDGAYWOPC-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP CCNC(=O)CN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756950 861585743 /nfs/dbraw/zinc/58/57/43/861585743.db2.gz JXWGVYDGAYWOPC-IBGZPJMESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401839 845645837 /nfs/dbraw/zinc/64/58/37/845645837.db2.gz FLCVHTLMPQUDFC-CVYDXHPNSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401839 845645841 /nfs/dbraw/zinc/64/58/41/845645841.db2.gz FLCVHTLMPQUDFC-CVYDXHPNSA-N 2 1 350.507 0.915 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001109426940 845650064 /nfs/dbraw/zinc/65/00/64/845650064.db2.gz GLLUGBKWMHDOMP-CVYDXHPNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1)[NH+](C)C ZINC001109426940 845650071 /nfs/dbraw/zinc/65/00/71/845650071.db2.gz GLLUGBKWMHDOMP-CVYDXHPNSA-N 2 1 350.507 0.917 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654095 845705494 /nfs/dbraw/zinc/70/54/94/845705494.db2.gz VTALXPKQWQWTBX-QZWWFDLISA-N 2 1 357.495 0.074 20 0 FCADMP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001109655406 845706114 /nfs/dbraw/zinc/70/61/14/845706114.db2.gz UKLARLGVSLMWOP-WCVJEAGWSA-N 2 1 359.536 0.730 20 0 FCADMP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)CS(C)(=O)=O ZINC001109655406 845706117 /nfs/dbraw/zinc/70/61/17/845706117.db2.gz UKLARLGVSLMWOP-WCVJEAGWSA-N 2 1 359.536 0.730 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798226 845736321 /nfs/dbraw/zinc/73/63/21/845736321.db2.gz ABXSRAXKMVAMOW-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798226 845736325 /nfs/dbraw/zinc/73/63/25/845736325.db2.gz ABXSRAXKMVAMOW-IKGGRYGDSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC1CCC1 ZINC001109847906 845746783 /nfs/dbraw/zinc/74/67/83/845746783.db2.gz NBIULMWQRICGAU-NJAFHUGGSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC1CCC1 ZINC001109847906 845746790 /nfs/dbraw/zinc/74/67/90/845746790.db2.gz NBIULMWQRICGAU-NJAFHUGGSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCOC1 ZINC001109847817 845747126 /nfs/dbraw/zinc/74/71/26/845747126.db2.gz IMGCAMDKJGWYJQ-MHORFTMASA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCOC1 ZINC001109847817 845747130 /nfs/dbraw/zinc/74/71/30/845747130.db2.gz IMGCAMDKJGWYJQ-MHORFTMASA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCOC1 ZINC001109847816 845747152 /nfs/dbraw/zinc/74/71/52/845747152.db2.gz IMGCAMDKJGWYJQ-BDXSIMOUSA-N 2 1 351.491 0.857 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCOC1 ZINC001109847816 845747153 /nfs/dbraw/zinc/74/71/53/845747153.db2.gz IMGCAMDKJGWYJQ-BDXSIMOUSA-N 2 1 351.491 0.857 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109867446 845751670 /nfs/dbraw/zinc/75/16/70/845751670.db2.gz ZWCZRHOERBPOTJ-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCOC2)CC1 ZINC001109898887 845755622 /nfs/dbraw/zinc/75/56/22/845755622.db2.gz HSDZPYYKAAEQBK-LMSBXDPUSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccns1 ZINC001109979902 845771850 /nfs/dbraw/zinc/77/18/50/845771850.db2.gz DSCKTRYECUPXEN-KBMXLJTQSA-N 2 1 352.504 0.985 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980712 845772037 /nfs/dbraw/zinc/77/20/37/845772037.db2.gz YBDGOWJPLHHTBH-FXUDXRNXSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980712 845772042 /nfs/dbraw/zinc/77/20/42/845772042.db2.gz YBDGOWJPLHHTBH-FXUDXRNXSA-N 2 1 354.495 0.330 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110017824 845776552 /nfs/dbraw/zinc/77/65/52/845776552.db2.gz ODKYPZAEQMVOLB-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110017824 845776556 /nfs/dbraw/zinc/77/65/56/845776556.db2.gz ODKYPZAEQMVOLB-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110017824 845776559 /nfs/dbraw/zinc/77/65/59/845776559.db2.gz ODKYPZAEQMVOLB-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110017824 845776563 /nfs/dbraw/zinc/77/65/63/845776563.db2.gz ODKYPZAEQMVOLB-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001110021351 845776955 /nfs/dbraw/zinc/77/69/55/845776955.db2.gz AAXLXYULKVJIHO-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001110021351 845776961 /nfs/dbraw/zinc/77/69/61/845776961.db2.gz AAXLXYULKVJIHO-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110021351 845776965 /nfs/dbraw/zinc/77/69/65/845776965.db2.gz AAXLXYULKVJIHO-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110021351 845776973 /nfs/dbraw/zinc/77/69/73/845776973.db2.gz AAXLXYULKVJIHO-ILXRZTDVSA-N 2 1 350.463 0.199 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101646 845790558 /nfs/dbraw/zinc/79/05/58/845790558.db2.gz XZVIGQLQIWLLRX-WCVJEAGWSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101646 845790570 /nfs/dbraw/zinc/79/05/70/845790570.db2.gz XZVIGQLQIWLLRX-WCVJEAGWSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101646 845790575 /nfs/dbraw/zinc/79/05/75/845790575.db2.gz XZVIGQLQIWLLRX-WCVJEAGWSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101646 845790586 /nfs/dbraw/zinc/79/05/86/845790586.db2.gz XZVIGQLQIWLLRX-WCVJEAGWSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCO)C1 ZINC001110658042 845942953 /nfs/dbraw/zinc/94/29/53/845942953.db2.gz KBMNZXHGIWOBOO-TVFCKZIOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)C1 ZINC001110658042 845942957 /nfs/dbraw/zinc/94/29/57/845942957.db2.gz KBMNZXHGIWOBOO-TVFCKZIOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)C1 ZINC001110658042 845942963 /nfs/dbraw/zinc/94/29/63/845942963.db2.gz KBMNZXHGIWOBOO-TVFCKZIOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001110693904 845949216 /nfs/dbraw/zinc/94/92/16/845949216.db2.gz VDXFLQRIFPNAMH-WCVJEAGWSA-N 2 1 351.495 0.319 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001110693904 845949221 /nfs/dbraw/zinc/94/92/21/845949221.db2.gz VDXFLQRIFPNAMH-WCVJEAGWSA-N 2 1 351.495 0.319 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)O1 ZINC001110709521 845953658 /nfs/dbraw/zinc/95/36/58/845953658.db2.gz BTKQMEZXXYYAKW-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)O1 ZINC001110709521 845953669 /nfs/dbraw/zinc/95/36/69/845953669.db2.gz BTKQMEZXXYYAKW-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)O1 ZINC001110709521 845953673 /nfs/dbraw/zinc/95/36/73/845953673.db2.gz BTKQMEZXXYYAKW-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)O1 ZINC001110709521 845953678 /nfs/dbraw/zinc/95/36/78/845953678.db2.gz BTKQMEZXXYYAKW-FXXCCUJSSA-N 2 1 351.491 0.854 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001110738615 845963544 /nfs/dbraw/zinc/96/35/44/845963544.db2.gz KDWDXJTXEGRCET-KFWWJZLASA-N 2 1 351.495 0.463 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001110738615 845963551 /nfs/dbraw/zinc/96/35/51/845963551.db2.gz KDWDXJTXEGRCET-KFWWJZLASA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110738615 845963557 /nfs/dbraw/zinc/96/35/57/845963557.db2.gz KDWDXJTXEGRCET-KFWWJZLASA-N 2 1 351.495 0.463 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110738615 845963560 /nfs/dbraw/zinc/96/35/60/845963560.db2.gz KDWDXJTXEGRCET-KFWWJZLASA-N 2 1 351.495 0.463 20 0 FCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862194 845986101 /nfs/dbraw/zinc/98/61/01/845986101.db2.gz BUABRVIPABASQL-TWMKSMIVSA-N 2 1 353.507 0.980 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819793 861629381 /nfs/dbraw/zinc/62/93/81/861629381.db2.gz WKTPOKIRTXVVFI-KDOFPFPSSA-N 2 1 355.479 0.175 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCO1 ZINC001111151765 846049253 /nfs/dbraw/zinc/04/92/53/846049253.db2.gz JFDREIZLYHKJIX-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCCO1 ZINC001111151765 846049266 /nfs/dbraw/zinc/04/92/66/846049266.db2.gz JFDREIZLYHKJIX-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001111232967 846066347 /nfs/dbraw/zinc/06/63/47/846066347.db2.gz FYTLTGRQMUCTHK-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)C ZINC001111232967 846066356 /nfs/dbraw/zinc/06/63/56/846066356.db2.gz FYTLTGRQMUCTHK-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001111232967 846066361 /nfs/dbraw/zinc/06/63/61/846066361.db2.gz FYTLTGRQMUCTHK-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001111232967 846066362 /nfs/dbraw/zinc/06/63/62/846066362.db2.gz FYTLTGRQMUCTHK-OAGGEKHMSA-N 2 1 353.511 0.757 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280428 846077457 /nfs/dbraw/zinc/07/74/57/846077457.db2.gz YBDGOWJPLHHTBH-WCVJEAGWSA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280428 846077463 /nfs/dbraw/zinc/07/74/63/846077463.db2.gz YBDGOWJPLHHTBH-WCVJEAGWSA-N 2 1 354.495 0.330 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCNC1=O ZINC001111307691 846082780 /nfs/dbraw/zinc/08/27/80/846082780.db2.gz RJEJBICWZZOMQW-OAGGEKHMSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111307691 846082789 /nfs/dbraw/zinc/08/27/89/846082789.db2.gz RJEJBICWZZOMQW-OAGGEKHMSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111307691 846082798 /nfs/dbraw/zinc/08/27/98/846082798.db2.gz RJEJBICWZZOMQW-OAGGEKHMSA-N 2 1 351.495 0.465 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001111312550 846084343 /nfs/dbraw/zinc/08/43/43/846084343.db2.gz MMYJJXXZNWYBEY-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001111312550 846084351 /nfs/dbraw/zinc/08/43/51/846084351.db2.gz MMYJJXXZNWYBEY-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001111312550 846084356 /nfs/dbraw/zinc/08/43/56/846084356.db2.gz MMYJJXXZNWYBEY-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001111312550 846084361 /nfs/dbraw/zinc/08/43/61/846084361.db2.gz MMYJJXXZNWYBEY-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407875 846099130 /nfs/dbraw/zinc/09/91/30/846099130.db2.gz XZVIGQLQIWLLRX-FPCVCCKLSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407875 846099135 /nfs/dbraw/zinc/09/91/35/846099135.db2.gz XZVIGQLQIWLLRX-FPCVCCKLSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407875 846099142 /nfs/dbraw/zinc/09/91/42/846099142.db2.gz XZVIGQLQIWLLRX-FPCVCCKLSA-N 2 1 351.495 0.367 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407875 846099148 /nfs/dbraw/zinc/09/91/48/846099148.db2.gz XZVIGQLQIWLLRX-FPCVCCKLSA-N 2 1 351.495 0.367 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782821 846203745 /nfs/dbraw/zinc/20/37/45/846203745.db2.gz ZMQKRAZQFOAUSR-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782821 846203754 /nfs/dbraw/zinc/20/37/54/846203754.db2.gz ZMQKRAZQFOAUSR-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782821 846203763 /nfs/dbraw/zinc/20/37/63/846203763.db2.gz ZMQKRAZQFOAUSR-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851885 846229355 /nfs/dbraw/zinc/22/93/55/846229355.db2.gz SFGJLMKTSZJOGA-CWLGOENISA-N 2 1 353.507 0.695 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851885 846229364 /nfs/dbraw/zinc/22/93/64/846229364.db2.gz SFGJLMKTSZJOGA-CWLGOENISA-N 2 1 353.507 0.695 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851885 846229370 /nfs/dbraw/zinc/22/93/70/846229370.db2.gz SFGJLMKTSZJOGA-CWLGOENISA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCS(C)(=O)=O)C3)CC1 ZINC001111855925 846231347 /nfs/dbraw/zinc/23/13/47/846231347.db2.gz SGISFOWJZRCUFK-YJBOKZPZSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C3)CC1 ZINC001111855925 846231350 /nfs/dbraw/zinc/23/13/50/846231350.db2.gz SGISFOWJZRCUFK-YJBOKZPZSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111861615 846235099 /nfs/dbraw/zinc/23/50/99/846235099.db2.gz VVGOVFOYSJCJEA-ZOBUZTSGSA-N 2 1 357.520 0.344 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111861360 846235242 /nfs/dbraw/zinc/23/52/42/846235242.db2.gz JGQUFPDNLXTKDB-RYRKJORJSA-N 2 1 371.547 0.734 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111909590 846258077 /nfs/dbraw/zinc/25/80/77/846258077.db2.gz DVHCTOWFPABOCH-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111938230 846266931 /nfs/dbraw/zinc/26/69/31/846266931.db2.gz RNEADWMVDBRIAF-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111938230 846266943 /nfs/dbraw/zinc/26/69/43/846266943.db2.gz RNEADWMVDBRIAF-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111938230 846266952 /nfs/dbraw/zinc/26/69/52/846266952.db2.gz RNEADWMVDBRIAF-GJYPPUQNSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111949824 846271349 /nfs/dbraw/zinc/27/13/49/846271349.db2.gz VNNYSUQEKJPZTR-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111949824 846271359 /nfs/dbraw/zinc/27/13/59/846271359.db2.gz VNNYSUQEKJPZTR-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001111949824 846271370 /nfs/dbraw/zinc/27/13/70/846271370.db2.gz VNNYSUQEKJPZTR-VCBZYWHSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111949057 846273046 /nfs/dbraw/zinc/27/30/46/846273046.db2.gz LYUHYDIXSUXVRY-LPHOPBHVSA-N 2 1 350.507 0.921 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111952329 846274303 /nfs/dbraw/zinc/27/43/03/846274303.db2.gz CNRHGUSPZMAHOR-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111952329 846274310 /nfs/dbraw/zinc/27/43/10/846274310.db2.gz CNRHGUSPZMAHOR-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111952329 846274324 /nfs/dbraw/zinc/27/43/24/846274324.db2.gz CNRHGUSPZMAHOR-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983999 846280029 /nfs/dbraw/zinc/28/00/29/846280029.db2.gz VAVJZMMIYSXYLV-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983999 846280040 /nfs/dbraw/zinc/28/00/40/846280040.db2.gz VAVJZMMIYSXYLV-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111983999 846280051 /nfs/dbraw/zinc/28/00/51/846280051.db2.gz VAVJZMMIYSXYLV-VCBZYWHSSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112071251 846350529 /nfs/dbraw/zinc/35/05/29/846350529.db2.gz WZIKRUGKOARSDS-UPJWGTAASA-N 2 1 362.396 0.338 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112071251 846350534 /nfs/dbraw/zinc/35/05/34/846350534.db2.gz WZIKRUGKOARSDS-UPJWGTAASA-N 2 1 362.396 0.338 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075829 846356594 /nfs/dbraw/zinc/35/65/94/846356594.db2.gz WKHKXNQXVNCZOS-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075829 846356602 /nfs/dbraw/zinc/35/66/02/846356602.db2.gz WKHKXNQXVNCZOS-MCIONIFRSA-N 2 1 367.412 0.723 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113216 846393433 /nfs/dbraw/zinc/39/34/33/846393433.db2.gz JQIQTEZGVQSNQI-VXGBXAGGSA-N 2 1 364.412 0.586 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112123694 846401404 /nfs/dbraw/zinc/40/14/04/846401404.db2.gz WQYCGNYMNSANDC-VXGBXAGGSA-N 2 1 366.428 0.784 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112123694 846401406 /nfs/dbraw/zinc/40/14/06/846401406.db2.gz WQYCGNYMNSANDC-VXGBXAGGSA-N 2 1 366.428 0.784 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001112126547 846404721 /nfs/dbraw/zinc/40/47/21/846404721.db2.gz WXIFDDAGNTYATO-VXGBXAGGSA-N 2 1 362.396 0.340 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154723 846422135 /nfs/dbraw/zinc/42/21/35/846422135.db2.gz YVYMPUVRLXIQGH-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001112154462 846422174 /nfs/dbraw/zinc/42/21/74/846422174.db2.gz NGMDEDQEWTXJHT-GRYCIOLGSA-N 2 1 362.396 0.196 20 0 FCADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160128 846425352 /nfs/dbraw/zinc/42/53/52/846425352.db2.gz SXRSWNDWYKVQGY-CHWSQXEVSA-N 2 1 362.400 0.729 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160154 846426098 /nfs/dbraw/zinc/42/60/98/846426098.db2.gz VFMRARWVCRKNSN-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001112360822 846496943 /nfs/dbraw/zinc/49/69/43/846496943.db2.gz MWRZGKYJWRBNCU-GGXPGOJBSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112438893 846504767 /nfs/dbraw/zinc/50/47/67/846504767.db2.gz JWZYCVSVXXEAGP-DOXZYTNZSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112586407 846531836 /nfs/dbraw/zinc/53/18/36/846531836.db2.gz XZUCIRILXKHDIF-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001114303800 846550040 /nfs/dbraw/zinc/55/00/40/846550040.db2.gz FAYFSFIGKBUUQR-NPCUJANDSA-N 2 1 350.507 0.535 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001114303800 846550046 /nfs/dbraw/zinc/55/00/46/846550046.db2.gz FAYFSFIGKBUUQR-NPCUJANDSA-N 2 1 350.507 0.535 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114303800 846550052 /nfs/dbraw/zinc/55/00/52/846550052.db2.gz FAYFSFIGKBUUQR-NPCUJANDSA-N 2 1 350.507 0.535 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114303800 846550060 /nfs/dbraw/zinc/55/00/60/846550060.db2.gz FAYFSFIGKBUUQR-NPCUJANDSA-N 2 1 350.507 0.535 20 0 FCADMP C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276958808 861703531 /nfs/dbraw/zinc/70/35/31/861703531.db2.gz APYUCGOELTTXLQ-PKOBYXMFSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958808 861703544 /nfs/dbraw/zinc/70/35/44/861703544.db2.gz APYUCGOELTTXLQ-PKOBYXMFSA-N 2 1 352.523 0.462 20 0 FCADMP C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276958808 861703556 /nfs/dbraw/zinc/70/35/56/861703556.db2.gz APYUCGOELTTXLQ-PKOBYXMFSA-N 2 1 352.523 0.462 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001118123441 847290254 /nfs/dbraw/zinc/29/02/54/847290254.db2.gz KSLIPDVRQWKABY-JKSUJKDBSA-N 2 1 352.479 0.356 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330312 847385559 /nfs/dbraw/zinc/38/55/59/847385559.db2.gz KODPVFCAJWHYDR-RCJHGTSTSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330311 847385750 /nfs/dbraw/zinc/38/57/50/847385750.db2.gz KODPVFCAJWHYDR-JEWRLFTDSA-N 2 1 350.507 0.810 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CC[NH3+])CC(F)(F)F)CC1=O ZINC001119304971 847807019 /nfs/dbraw/zinc/80/70/19/847807019.db2.gz XPKMJTHOWRPLJC-OLZOCXBDSA-N 2 1 364.412 0.669 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001121945350 848422681 /nfs/dbraw/zinc/42/26/81/848422681.db2.gz IVLBNQKNPVHPOP-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3COC4(C[NH2+]C4)C3)CC2)cs1 ZINC001122142204 848453904 /nfs/dbraw/zinc/45/39/04/848453904.db2.gz KXAZDBQNWQOAKS-CQSZACIVSA-N 2 1 350.488 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127643853 848730533 /nfs/dbraw/zinc/73/05/33/848730533.db2.gz NZILGLQOOHBVTC-UTUOFQBUSA-N 2 1 350.385 0.196 20 0 FCADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707127 848734290 /nfs/dbraw/zinc/73/42/90/848734290.db2.gz VMCYPFYUCZLLGZ-UONOGXRCSA-N 2 1 355.483 0.048 20 0 FCADMP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052296 848799744 /nfs/dbraw/zinc/79/97/44/848799744.db2.gz BHQBEKIJTBOHBP-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052296 848799752 /nfs/dbraw/zinc/79/97/52/848799752.db2.gz BHQBEKIJTBOHBP-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052296 848799760 /nfs/dbraw/zinc/79/97/60/848799760.db2.gz BHQBEKIJTBOHBP-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052296 848799767 /nfs/dbraw/zinc/79/97/67/848799767.db2.gz BHQBEKIJTBOHBP-IMJJTQAJSA-N 2 1 350.467 0.139 20 0 FCADMP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129204767 848818248 /nfs/dbraw/zinc/81/82/48/848818248.db2.gz JGLLKXWJRKFPAE-OAGGEKHMSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400699 848840073 /nfs/dbraw/zinc/84/00/73/848840073.db2.gz XKIHSTGTRFZVOO-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400699 848840081 /nfs/dbraw/zinc/84/00/81/848840081.db2.gz XKIHSTGTRFZVOO-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129400699 848840084 /nfs/dbraw/zinc/84/00/84/848840084.db2.gz XKIHSTGTRFZVOO-XHSDSOJGSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129406977 848841430 /nfs/dbraw/zinc/84/14/30/848841430.db2.gz DLRFGQBLZQXOLA-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129406977 848841439 /nfs/dbraw/zinc/84/14/39/848841439.db2.gz DLRFGQBLZQXOLA-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129406977 848841446 /nfs/dbraw/zinc/84/14/46/848841446.db2.gz DLRFGQBLZQXOLA-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461684 848847626 /nfs/dbraw/zinc/84/76/26/848847626.db2.gz YYIXNPQCXBXLFF-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461684 848847632 /nfs/dbraw/zinc/84/76/32/848847632.db2.gz YYIXNPQCXBXLFF-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461684 848847638 /nfs/dbraw/zinc/84/76/38/848847638.db2.gz YYIXNPQCXBXLFF-CVEARBPZSA-N 2 1 352.483 0.386 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884043 848907657 /nfs/dbraw/zinc/90/76/57/848907657.db2.gz IAERAYMFPZIHOK-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129918555 848915840 /nfs/dbraw/zinc/91/58/40/848915840.db2.gz DGXDYCUKALLILI-ZNMIVQPWSA-N 2 1 352.483 0.385 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130081230 848941344 /nfs/dbraw/zinc/94/13/44/848941344.db2.gz DTTNWGGMYRJOPA-XHSDSOJGSA-N 2 1 352.483 0.122 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137121 848950396 /nfs/dbraw/zinc/95/03/96/848950396.db2.gz KCBBUEUOIZHRRZ-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCCCC2)O1 ZINC001130182296 848960240 /nfs/dbraw/zinc/96/02/40/848960240.db2.gz BFODKQUIRPJBQX-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCCCC2)O1 ZINC001130182296 848960245 /nfs/dbraw/zinc/96/02/45/848960245.db2.gz BFODKQUIRPJBQX-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccsc2)O1 ZINC001130184519 848963830 /nfs/dbraw/zinc/96/38/30/848963830.db2.gz UDXMDYURQPLDAG-UKRRQHHQSA-N 2 1 368.503 0.131 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2ccsc2)O1 ZINC001130184519 848963831 /nfs/dbraw/zinc/96/38/31/848963831.db2.gz UDXMDYURQPLDAG-UKRRQHHQSA-N 2 1 368.503 0.131 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130622237 849021362 /nfs/dbraw/zinc/02/13/62/849021362.db2.gz YVRXHWYVDVMBIX-GOEBONIOSA-N 2 1 351.495 0.417 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130706664 849028093 /nfs/dbraw/zinc/02/80/93/849028093.db2.gz RRCRMBXIWQUIMQ-DOTOQJQBSA-N 2 1 351.495 0.682 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001130717823 849028728 /nfs/dbraw/zinc/02/87/28/849028728.db2.gz SSFUNBNJUXXQMH-YQQAZPJKSA-N 2 1 351.495 0.417 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCF)CC2)C1 ZINC001131461538 849108321 /nfs/dbraw/zinc/10/83/21/849108321.db2.gz PEXYPBKLBQSDDH-ZACQAIPSSA-N 2 1 357.470 0.662 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCF)CC2)C1 ZINC001131461538 849108324 /nfs/dbraw/zinc/10/83/24/849108324.db2.gz PEXYPBKLBQSDDH-ZACQAIPSSA-N 2 1 357.470 0.662 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131596956 849128581 /nfs/dbraw/zinc/12/85/81/849128581.db2.gz CSCOHFZOLQQPNA-LXZKKBNFSA-N 2 1 354.495 0.188 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001141196727 849385670 /nfs/dbraw/zinc/38/56/70/849385670.db2.gz KVFAADYCTLNYDO-ILXRZTDVSA-N 2 1 354.495 0.994 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001147589993 849586809 /nfs/dbraw/zinc/58/68/09/849586809.db2.gz GXECWVAHMORYJU-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001147589993 849586815 /nfs/dbraw/zinc/58/68/15/849586815.db2.gz GXECWVAHMORYJU-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCCS(C)(=O)=O)C3)CC[NH+]1C ZINC001147589993 849586820 /nfs/dbraw/zinc/58/68/20/849586820.db2.gz GXECWVAHMORYJU-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCCS(C)(=O)=O)C3)CC[NH+]1C ZINC001147589993 849586826 /nfs/dbraw/zinc/58/68/26/849586826.db2.gz GXECWVAHMORYJU-JKSUJKDBSA-N 2 1 371.547 0.686 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]1(O)CCOC1 ZINC001148799570 849618708 /nfs/dbraw/zinc/61/87/08/849618708.db2.gz KBXDGULTQLKACS-IBGZPJMESA-N 2 1 353.507 0.793 20 0 FCADMP CN(C)C1(CNc2ncc(S(N)(=O)=O)cc2Cl)CC[NH+](C)CC1 ZINC001156182470 849893272 /nfs/dbraw/zinc/89/32/72/849893272.db2.gz VATQQMGBXFUBOA-UHFFFAOYSA-N 2 1 361.899 0.820 20 0 FCADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001157323267 849963083 /nfs/dbraw/zinc/96/30/83/849963083.db2.gz NOJCWGJSARTGDY-QWHCGFSZSA-N 2 1 371.279 0.809 20 0 FCADMP [NH3+][C@@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC001158092006 850017989 /nfs/dbraw/zinc/01/79/89/850017989.db2.gz LCPJWYARPPUXIU-HIFRSBDPSA-N 2 1 367.247 0.139 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CSC[NH2+]1)C2 ZINC001158380133 850042732 /nfs/dbraw/zinc/04/27/32/850042732.db2.gz COYMDMUMHQBZMT-ZWKOPEQDSA-N 2 1 367.393 0.193 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC001158513002 850057429 /nfs/dbraw/zinc/05/74/29/850057429.db2.gz FRCJTYCODCPFSX-INIZCTEOSA-N 2 1 353.463 0.241 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CC1=O ZINC001158700609 850069304 /nfs/dbraw/zinc/06/93/04/850069304.db2.gz CGQNKEKGYGLDJH-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H]2C ZINC001159633034 850124638 /nfs/dbraw/zinc/12/46/38/850124638.db2.gz FIDGQHPJGSCNTD-UMFZYTJCSA-N 2 1 369.535 0.722 20 0 FCADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@H]2C ZINC001159633035 850125526 /nfs/dbraw/zinc/12/55/26/850125526.db2.gz FIDGQHPJGSCNTD-ZATCZYFKSA-N 2 1 369.535 0.722 20 0 FCADMP O=C(N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159832067 850139490 /nfs/dbraw/zinc/13/94/90/850139490.db2.gz AZXTVSANBQYEAU-ADAWSYLGSA-N 2 1 361.515 0.517 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](C[C@H](O)COC)CC2)CC[NH+]1C ZINC001160168947 850156010 /nfs/dbraw/zinc/15/60/10/850156010.db2.gz DRGNYRSTSZICFB-OKZBNKHCSA-N 2 1 353.507 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](C[C@H](O)COC)CC2)CC[N@H+]1C ZINC001160168947 850156002 /nfs/dbraw/zinc/15/60/02/850156002.db2.gz DRGNYRSTSZICFB-OKZBNKHCSA-N 2 1 353.507 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](C[C@H](O)COC)CC2)CC[NH+]1C ZINC001160168947 850156006 /nfs/dbraw/zinc/15/60/06/850156006.db2.gz DRGNYRSTSZICFB-OKZBNKHCSA-N 2 1 353.507 0.862 20 0 FCADMP CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169740 850156098 /nfs/dbraw/zinc/15/60/98/850156098.db2.gz ZRWAYQNUUMJMCW-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169740 850156103 /nfs/dbraw/zinc/15/61/03/850156103.db2.gz ZRWAYQNUUMJMCW-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169740 850156111 /nfs/dbraw/zinc/15/61/11/850156111.db2.gz ZRWAYQNUUMJMCW-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169740 850156115 /nfs/dbraw/zinc/15/61/15/850156115.db2.gz ZRWAYQNUUMJMCW-DLBZAZTESA-N 2 1 350.507 0.991 20 0 FCADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155046 850156587 /nfs/dbraw/zinc/15/65/87/850156587.db2.gz DCKNBKHNNSIZKD-KSZLIROESA-N 3 1 352.523 0.804 20 0 FCADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160155046 850156596 /nfs/dbraw/zinc/15/65/96/850156596.db2.gz DCKNBKHNNSIZKD-KSZLIROESA-N 2 1 352.523 0.804 20 0 FCADMP CCOC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCC1=O ZINC001160426540 850172142 /nfs/dbraw/zinc/17/21/42/850172142.db2.gz FLHWWNZXDCQCFT-GJZGRUSLSA-N 2 1 355.479 0.853 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC[C@@H]2C)O1 ZINC001160861993 850208553 /nfs/dbraw/zinc/20/85/53/850208553.db2.gz GECNGGKLBSGDHT-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC[C@@H]2C)O1 ZINC001160861993 850208564 /nfs/dbraw/zinc/20/85/64/850208564.db2.gz GECNGGKLBSGDHT-ARFHVFGLSA-N 2 1 354.495 0.202 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198203 850238840 /nfs/dbraw/zinc/23/88/40/850238840.db2.gz MQDCYFCYSMWOGZ-HNNXBMFYSA-N 3 1 362.465 0.519 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423581 850258628 /nfs/dbraw/zinc/25/86/28/850258628.db2.gz GEIGPFJWACTMMR-AJNGGQMLSA-N 2 1 356.536 0.514 20 0 FCADMP CC[N@@H+]1CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001163771092 850379763 /nfs/dbraw/zinc/37/97/63/850379763.db2.gz DHRHYTPWMAZJJA-UHFFFAOYSA-N 2 1 353.492 0.100 20 0 FCADMP CC[N@H+]1CCCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001163771092 850379773 /nfs/dbraw/zinc/37/97/73/850379773.db2.gz DHRHYTPWMAZJJA-UHFFFAOYSA-N 2 1 353.492 0.100 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001169111900 850605776 /nfs/dbraw/zinc/60/57/76/850605776.db2.gz QUHOEQHILUBDPT-NNZMDNLPSA-N 3 1 359.511 0.226 20 0 FCADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001169111900 850605779 /nfs/dbraw/zinc/60/57/79/850605779.db2.gz QUHOEQHILUBDPT-NNZMDNLPSA-N 2 1 359.511 0.226 20 0 FCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C(C)(C)C[NH3+] ZINC001169163952 850608858 /nfs/dbraw/zinc/60/88/58/850608858.db2.gz TWQQJVNNWIDPTD-GFCCVEGCSA-N 2 1 350.467 0.319 20 0 FCADMP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863704 850668934 /nfs/dbraw/zinc/66/89/34/850668934.db2.gz XWRRGCKXCHFCEK-RRFJBIMHSA-N 2 1 362.540 0.140 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501562 850686078 /nfs/dbraw/zinc/68/60/78/850686078.db2.gz TWVSUPWKKNYNHF-IIAWOOMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@H](CCCC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501562 850686088 /nfs/dbraw/zinc/68/60/88/850686088.db2.gz TWVSUPWKKNYNHF-IIAWOOMASA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]CCn1cncn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498352 850686994 /nfs/dbraw/zinc/68/69/94/850686994.db2.gz ABBHFQARLLLGNG-ARFHVFGLSA-N 2 1 352.483 0.262 20 0 FCADMP C[C@@H](CCCC[NH2+]CCn1cncn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498352 850687002 /nfs/dbraw/zinc/68/70/02/850687002.db2.gz ABBHFQARLLLGNG-ARFHVFGLSA-N 2 1 352.483 0.262 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001178523176 850905856 /nfs/dbraw/zinc/90/58/56/850905856.db2.gz VQQNDXVXKWCDDY-KFWWJZLASA-N 2 1 352.479 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3nncs3)[C@@H]2C)CC[N@H+]1C ZINC001178731357 850921100 /nfs/dbraw/zinc/92/11/00/850921100.db2.gz SHFVKUMNNGLQNI-XQHKEYJVSA-N 2 1 366.491 0.396 20 0 FCADMP CCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810907 850932786 /nfs/dbraw/zinc/93/27/86/850932786.db2.gz OCWKOSCKZQKVBN-HZPDHXFCSA-N 2 1 356.511 0.498 20 0 FCADMP CCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810907 850932795 /nfs/dbraw/zinc/93/27/95/850932795.db2.gz OCWKOSCKZQKVBN-HZPDHXFCSA-N 2 1 356.511 0.498 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001181525995 851117864 /nfs/dbraw/zinc/11/78/64/851117864.db2.gz ZOYDYHQPXUWAJX-KCYZZUKISA-N 2 1 359.536 0.445 20 0 FCADMP C[N@@H+](CCNC(=O)OC(C)(C)C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014562 851146102 /nfs/dbraw/zinc/14/61/02/851146102.db2.gz BBNWKOXKXHLMJP-OAHLLOKOSA-N 2 1 354.495 0.901 20 0 FCADMP Cc1nnc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001182676684 851190343 /nfs/dbraw/zinc/19/03/43/851190343.db2.gz QKROIPLUXNUWSV-RAIGVLPGSA-N 2 1 366.491 0.316 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001182676132 851190637 /nfs/dbraw/zinc/19/06/37/851190637.db2.gz BUCCVGUDOYKICP-JHJVBQTASA-N 2 1 351.476 0.612 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCCC3)C2)CC[N@H+]1C ZINC001182676672 851190796 /nfs/dbraw/zinc/19/07/96/851190796.db2.gz PVSWTLBLUSSTMA-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CC(=O)N/C(=C/c1cc(F)ccc1F)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185734684 851384710 /nfs/dbraw/zinc/38/47/10/851384710.db2.gz RFNYQGVWYYTRKC-NTEUORMPSA-N 2 1 353.373 0.903 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857916 851616249 /nfs/dbraw/zinc/61/62/49/851616249.db2.gz UVHACGYZXDXLNM-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857916 851616250 /nfs/dbraw/zinc/61/62/50/851616250.db2.gz UVHACGYZXDXLNM-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857916 851616255 /nfs/dbraw/zinc/61/62/55/851616255.db2.gz UVHACGYZXDXLNM-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857916 851616257 /nfs/dbraw/zinc/61/62/57/851616257.db2.gz UVHACGYZXDXLNM-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001188188849 851657962 /nfs/dbraw/zinc/65/79/62/851657962.db2.gz HGWYATNOYPZPFL-OKZBNKHCSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001188188849 851657965 /nfs/dbraw/zinc/65/79/65/851657965.db2.gz HGWYATNOYPZPFL-OKZBNKHCSA-N 2 1 353.507 0.506 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001188188849 851657969 /nfs/dbraw/zinc/65/79/69/851657969.db2.gz HGWYATNOYPZPFL-OKZBNKHCSA-N 2 1 353.507 0.506 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205270 851659075 /nfs/dbraw/zinc/65/90/75/851659075.db2.gz IRSVVGMDFCCAQW-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205270 851659081 /nfs/dbraw/zinc/65/90/81/851659081.db2.gz IRSVVGMDFCCAQW-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205270 851659085 /nfs/dbraw/zinc/65/90/85/851659085.db2.gz IRSVVGMDFCCAQW-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205270 851659094 /nfs/dbraw/zinc/65/90/94/851659094.db2.gz IRSVVGMDFCCAQW-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658855 851717336 /nfs/dbraw/zinc/71/73/36/851717336.db2.gz NZRNZDCOGWFNDT-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658855 851717338 /nfs/dbraw/zinc/71/73/38/851717338.db2.gz NZRNZDCOGWFNDT-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658855 851717343 /nfs/dbraw/zinc/71/73/43/851717343.db2.gz NZRNZDCOGWFNDT-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658855 851717348 /nfs/dbraw/zinc/71/73/48/851717348.db2.gz NZRNZDCOGWFNDT-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673480 851719336 /nfs/dbraw/zinc/71/93/36/851719336.db2.gz OENAJJCGGWQIPQ-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673480 851719338 /nfs/dbraw/zinc/71/93/38/851719338.db2.gz OENAJJCGGWQIPQ-HRCADAONSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001188979795 851739240 /nfs/dbraw/zinc/73/92/40/851739240.db2.gz TYKKIFHFIUQNTI-IXDOHACOSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001189054265 851746254 /nfs/dbraw/zinc/74/62/54/851746254.db2.gz BHWKUKQTECYNRQ-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189055427 851746312 /nfs/dbraw/zinc/74/63/12/851746312.db2.gz UHOYWJHMBDERHG-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189055427 851746320 /nfs/dbraw/zinc/74/63/20/851746320.db2.gz UHOYWJHMBDERHG-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159737 851760022 /nfs/dbraw/zinc/76/00/22/851760022.db2.gz IURSYKOFIUIFSX-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159737 851760028 /nfs/dbraw/zinc/76/00/28/851760028.db2.gz IURSYKOFIUIFSX-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP CN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]3C2)C1=O ZINC001189159737 851760031 /nfs/dbraw/zinc/76/00/31/851760031.db2.gz IURSYKOFIUIFSX-HRCADAONSA-N 2 1 350.507 0.728 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317420 851777748 /nfs/dbraw/zinc/77/77/48/851777748.db2.gz ORIGMPUXRNKDMD-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317420 851777754 /nfs/dbraw/zinc/77/77/54/851777754.db2.gz ORIGMPUXRNKDMD-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189484735 851795488 /nfs/dbraw/zinc/79/54/88/851795488.db2.gz NJVPAEVQCNFYQC-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189484735 851795494 /nfs/dbraw/zinc/79/54/94/851795494.db2.gz NJVPAEVQCNFYQC-OWCLPIDISA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660447 851813038 /nfs/dbraw/zinc/81/30/38/851813038.db2.gz PYEXGJXIFOZQIV-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660447 851813046 /nfs/dbraw/zinc/81/30/46/851813046.db2.gz PYEXGJXIFOZQIV-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660447 851813055 /nfs/dbraw/zinc/81/30/55/851813055.db2.gz PYEXGJXIFOZQIV-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001189660447 851813062 /nfs/dbraw/zinc/81/30/62/851813062.db2.gz PYEXGJXIFOZQIV-HRCADAONSA-N 2 1 357.520 0.296 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCN3CCCC3=O)C[C@H]21 ZINC001189668902 851814147 /nfs/dbraw/zinc/81/41/47/851814147.db2.gz QMGIUKDZPMZHFG-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189668902 851814150 /nfs/dbraw/zinc/81/41/50/851814150.db2.gz QMGIUKDZPMZHFG-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001189668902 851814155 /nfs/dbraw/zinc/81/41/55/851814155.db2.gz QMGIUKDZPMZHFG-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786633 851823588 /nfs/dbraw/zinc/82/35/88/851823588.db2.gz GPGNOKQPHDJUIS-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786633 851823590 /nfs/dbraw/zinc/82/35/90/851823590.db2.gz GPGNOKQPHDJUIS-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786633 851823594 /nfs/dbraw/zinc/82/35/94/851823594.db2.gz GPGNOKQPHDJUIS-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189786633 851823595 /nfs/dbraw/zinc/82/35/95/851823595.db2.gz GPGNOKQPHDJUIS-OWCLPIDISA-N 2 1 357.520 0.296 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001189811013 851827102 /nfs/dbraw/zinc/82/71/02/851827102.db2.gz RDCPGMGKQZLIBE-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176784 851870354 /nfs/dbraw/zinc/87/03/54/851870354.db2.gz GBKQHQAHSDXUIS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176784 851870361 /nfs/dbraw/zinc/87/03/61/851870361.db2.gz GBKQHQAHSDXUIS-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177563 851870643 /nfs/dbraw/zinc/87/06/43/851870643.db2.gz OWBCRFRABPQHGD-OKZBNKHCSA-N 2 1 353.507 0.648 20 0 FCADMP COCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177956 851870849 /nfs/dbraw/zinc/87/08/49/851870849.db2.gz RZTGQPCXTOJFFH-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP COCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177956 851870854 /nfs/dbraw/zinc/87/08/54/851870854.db2.gz RZTGQPCXTOJFFH-FGTMMUONSA-N 2 1 353.507 0.914 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190319205 851891349 /nfs/dbraw/zinc/89/13/49/851891349.db2.gz YWMGIVATNVIOSF-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190319205 851891354 /nfs/dbraw/zinc/89/13/54/851891354.db2.gz YWMGIVATNVIOSF-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363013 851896876 /nfs/dbraw/zinc/89/68/76/851896876.db2.gz AENSBALSCGOVCZ-HRCADAONSA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363013 851896882 /nfs/dbraw/zinc/89/68/82/851896882.db2.gz AENSBALSCGOVCZ-HRCADAONSA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363013 851896888 /nfs/dbraw/zinc/89/68/88/851896888.db2.gz AENSBALSCGOVCZ-HRCADAONSA-N 2 1 357.520 0.294 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001190363013 851896894 /nfs/dbraw/zinc/89/68/94/851896894.db2.gz AENSBALSCGOVCZ-HRCADAONSA-N 2 1 357.520 0.294 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900702 851979984 /nfs/dbraw/zinc/97/99/84/851979984.db2.gz RCTUFGSFHJVDEW-HZSPNIEDSA-N 2 1 367.412 0.817 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900702 851979986 /nfs/dbraw/zinc/97/99/86/851979986.db2.gz RCTUFGSFHJVDEW-HZSPNIEDSA-N 2 1 367.412 0.817 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900702 851979991 /nfs/dbraw/zinc/97/99/91/851979991.db2.gz RCTUFGSFHJVDEW-HZSPNIEDSA-N 2 1 367.412 0.817 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCOCC(F)(F)F)C2)O1 ZINC001190900702 851979993 /nfs/dbraw/zinc/97/99/93/851979993.db2.gz RCTUFGSFHJVDEW-HZSPNIEDSA-N 2 1 367.412 0.817 20 0 FCADMP CC[C@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278395741 862313696 /nfs/dbraw/zinc/31/36/96/862313696.db2.gz DEVHJIJCXKPSOV-JYJNAYRXSA-N 2 1 350.507 0.633 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066140 852348661 /nfs/dbraw/zinc/34/86/61/852348661.db2.gz BRRQABUVGGJQFG-IAGOWNOFSA-N 2 1 351.495 0.800 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001193455970 852430167 /nfs/dbraw/zinc/43/01/67/852430167.db2.gz JEYRSRBKOVRPLB-RRFJBIMHSA-N 2 1 358.483 0.527 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001193455970 852430174 /nfs/dbraw/zinc/43/01/74/852430174.db2.gz JEYRSRBKOVRPLB-RRFJBIMHSA-N 2 1 358.483 0.527 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193738088 852479338 /nfs/dbraw/zinc/47/93/38/852479338.db2.gz MSWMEEHZXMLHCS-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193738088 852479343 /nfs/dbraw/zinc/47/93/43/852479343.db2.gz MSWMEEHZXMLHCS-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001193738088 852479348 /nfs/dbraw/zinc/47/93/48/852479348.db2.gz MSWMEEHZXMLHCS-GVDBMIGSSA-N 2 1 357.495 0.074 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298825 852574479 /nfs/dbraw/zinc/57/44/79/852574479.db2.gz MARJCVLYWRLVST-IAGOWNOFSA-N 2 1 350.463 0.496 20 0 FCADMP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832752 852658987 /nfs/dbraw/zinc/65/89/87/852658987.db2.gz RXTMNLACVNMOGS-CBYDULDESA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832752 852658992 /nfs/dbraw/zinc/65/89/92/852658992.db2.gz RXTMNLACVNMOGS-CBYDULDESA-N 2 1 351.491 0.447 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)CCCC1 ZINC001195006474 852692207 /nfs/dbraw/zinc/69/22/07/852692207.db2.gz JBJJLWVMEQKWNL-ZIAGYGMSSA-N 2 1 363.449 0.694 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)CCCC1 ZINC001195006474 852692210 /nfs/dbraw/zinc/69/22/10/852692210.db2.gz JBJJLWVMEQKWNL-ZIAGYGMSSA-N 2 1 363.449 0.694 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195595033 852794690 /nfs/dbraw/zinc/79/46/90/852794690.db2.gz ZGYYNNTWFTUOOU-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195595033 852794696 /nfs/dbraw/zinc/79/46/96/852794696.db2.gz ZGYYNNTWFTUOOU-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195595033 852794702 /nfs/dbraw/zinc/79/47/02/852794702.db2.gz ZGYYNNTWFTUOOU-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195595033 852794706 /nfs/dbraw/zinc/79/47/06/852794706.db2.gz ZGYYNNTWFTUOOU-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001196167094 852902879 /nfs/dbraw/zinc/90/28/79/852902879.db2.gz BMIUTCDIQRHKDU-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196167094 852902896 /nfs/dbraw/zinc/90/28/96/852902896.db2.gz BMIUTCDIQRHKDU-USXIJHARSA-N 2 1 350.463 0.342 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O)CC(C)(C)C ZINC001196207997 852916127 /nfs/dbraw/zinc/91/61/27/852916127.db2.gz XBGPCLAZUWSGCY-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)CC(C)(C)C ZINC001196207997 852916131 /nfs/dbraw/zinc/91/61/31/852916131.db2.gz XBGPCLAZUWSGCY-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)CC(C)(C)C ZINC001196207997 852916135 /nfs/dbraw/zinc/91/61/35/852916135.db2.gz XBGPCLAZUWSGCY-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196645534 852991956 /nfs/dbraw/zinc/99/19/56/852991956.db2.gz QLWHUJDXNMKIML-ARFHVFGLSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196645534 852991963 /nfs/dbraw/zinc/99/19/63/852991963.db2.gz QLWHUJDXNMKIML-ARFHVFGLSA-N 2 1 350.463 0.594 20 0 FCADMP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804457 853015100 /nfs/dbraw/zinc/01/51/00/853015100.db2.gz ZBUDEGVSVINBND-IAGOWNOFSA-N 2 1 351.495 0.800 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001196926530 853032493 /nfs/dbraw/zinc/03/24/93/853032493.db2.gz YQDNSEOGMBWPKU-BRWVUGGUSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001196926530 853032497 /nfs/dbraw/zinc/03/24/97/853032497.db2.gz YQDNSEOGMBWPKU-BRWVUGGUSA-N 2 1 350.463 0.560 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001197825175 853167691 /nfs/dbraw/zinc/16/76/91/853167691.db2.gz AVWCKSIQHZTRFL-HUUCEWRRSA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1O ZINC001198029207 853206715 /nfs/dbraw/zinc/20/67/15/853206715.db2.gz QLGPUSXLQJJCIQ-HUUCEWRRSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1O ZINC001198029207 853206730 /nfs/dbraw/zinc/20/67/30/853206730.db2.gz QLGPUSXLQJJCIQ-HUUCEWRRSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1O ZINC001198029207 853206736 /nfs/dbraw/zinc/20/67/36/853206736.db2.gz QLGPUSXLQJJCIQ-HUUCEWRRSA-N 2 1 354.520 0.887 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038278 853209115 /nfs/dbraw/zinc/20/91/15/853209115.db2.gz NVLNAEJZUXWBEB-ARFHVFGLSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038278 853209117 /nfs/dbraw/zinc/20/91/17/853209117.db2.gz NVLNAEJZUXWBEB-ARFHVFGLSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038278 853209118 /nfs/dbraw/zinc/20/91/18/853209118.db2.gz NVLNAEJZUXWBEB-ARFHVFGLSA-N 2 1 356.511 0.135 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001198038278 853209121 /nfs/dbraw/zinc/20/91/21/853209121.db2.gz NVLNAEJZUXWBEB-ARFHVFGLSA-N 2 1 356.511 0.135 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O ZINC001198698772 853304264 /nfs/dbraw/zinc/30/42/64/853304264.db2.gz DXRKBYNHSXEXNP-BRWVUGGUSA-N 2 1 355.523 0.942 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199018495 853356460 /nfs/dbraw/zinc/35/64/60/853356460.db2.gz ZTDTZSGXTYCXOY-RCCFBDPRSA-N 2 1 353.507 0.983 20 0 FCADMP CCC(CC)NC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104359 853369078 /nfs/dbraw/zinc/36/90/78/853369078.db2.gz KXNGTDOUODKJAU-FVQBIDKESA-N 2 1 356.511 0.181 20 0 FCADMP S=C(NCCCN1CCOCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC001199936750 853463653 /nfs/dbraw/zinc/46/36/53/853463653.db2.gz JJKDTDMAXYEQLT-UHFFFAOYSA-N 2 1 356.536 0.380 20 0 FCADMP S=C(NCCCN1CCOCC1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001199941637 853464671 /nfs/dbraw/zinc/46/46/71/853464671.db2.gz JLZPWNLEXNJFMQ-CALCHBBNSA-N 2 1 368.547 0.378 20 0 FCADMP S=C(NCCCN1CCOCC1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001199941637 853464675 /nfs/dbraw/zinc/46/46/75/853464675.db2.gz JLZPWNLEXNJFMQ-CALCHBBNSA-N 2 1 368.547 0.378 20 0 FCADMP C[C@@H](C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001200644939 853507133 /nfs/dbraw/zinc/50/71/33/853507133.db2.gz UEHZVNKGOSISLC-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCC(F)(F)F)C2)O1 ZINC001200787240 853510750 /nfs/dbraw/zinc/51/07/50/853510750.db2.gz PTNNPRGZFBTHSK-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCC(F)(F)F)C2)O1 ZINC001200787240 853510762 /nfs/dbraw/zinc/51/07/62/853510762.db2.gz PTNNPRGZFBTHSK-MGPQQGTHSA-N 2 1 367.412 0.865 20 0 FCADMP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786844 853511020 /nfs/dbraw/zinc/51/10/20/853511020.db2.gz JVFOSGBCCZMKFS-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786844 853511029 /nfs/dbraw/zinc/51/10/29/853511029.db2.gz JVFOSGBCCZMKFS-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](C[C@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843445 853573102 /nfs/dbraw/zinc/57/31/02/853573102.db2.gz GYVFABATZUMBEY-ZHALLVOQSA-N 2 1 350.507 0.526 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C[C@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843445 853573108 /nfs/dbraw/zinc/57/31/08/853573108.db2.gz GYVFABATZUMBEY-ZHALLVOQSA-N 2 1 350.507 0.526 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C[C@H]4CCC(=O)N4)C3)O2)CC1 ZINC001202843445 853573118 /nfs/dbraw/zinc/57/31/18/853573118.db2.gz GYVFABATZUMBEY-ZHALLVOQSA-N 2 1 350.507 0.526 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001205678962 853626512 /nfs/dbraw/zinc/62/65/12/853626512.db2.gz YUVKPSNTOJZJOH-GOEBONIOSA-N 2 1 350.438 0.537 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979465 853775704 /nfs/dbraw/zinc/77/57/04/853775704.db2.gz YDJVJKZJNMSYKA-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979465 853775710 /nfs/dbraw/zinc/77/57/10/853775710.db2.gz YDJVJKZJNMSYKA-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993077 853778715 /nfs/dbraw/zinc/77/87/15/853778715.db2.gz QKUDPRMQGNZUNW-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993077 853778721 /nfs/dbraw/zinc/77/87/21/853778721.db2.gz QKUDPRMQGNZUNW-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993077 853778726 /nfs/dbraw/zinc/77/87/26/853778726.db2.gz QKUDPRMQGNZUNW-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993077 853778729 /nfs/dbraw/zinc/77/87/29/853778729.db2.gz QKUDPRMQGNZUNW-MUIFIZLQSA-N 2 1 350.507 0.632 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001207231596 853793073 /nfs/dbraw/zinc/79/30/73/853793073.db2.gz MEHOMSPQMBHYOZ-BZUAXINKSA-N 2 1 356.486 0.725 20 0 FCADMP CCN1C[C@@]23C[N@H+](CCC4CC[NH+](C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207483670 853818837 /nfs/dbraw/zinc/81/88/37/853818837.db2.gz XYHBOYOLGKXXAP-IKGGRYGDSA-N 2 1 357.520 0.596 20 0 FCADMP CCN1C[C@@]23C[N@@H+](CCC4CC[NH+](C)CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207483670 853818842 /nfs/dbraw/zinc/81/88/42/853818842.db2.gz XYHBOYOLGKXXAP-IKGGRYGDSA-N 2 1 357.520 0.596 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547462 853823297 /nfs/dbraw/zinc/82/32/97/853823297.db2.gz XNTMTRGJORYXHO-ZACQAIPSSA-N 2 1 351.495 0.676 20 0 FCADMP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547462 853823299 /nfs/dbraw/zinc/82/32/99/853823299.db2.gz XNTMTRGJORYXHO-ZACQAIPSSA-N 2 1 351.495 0.676 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551071 853823819 /nfs/dbraw/zinc/82/38/19/853823819.db2.gz RWKQBELXUSLYHP-XYPHTWIQSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551071 853823824 /nfs/dbraw/zinc/82/38/24/853823824.db2.gz RWKQBELXUSLYHP-XYPHTWIQSA-N 2 1 371.547 0.588 20 0 FCADMP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207601343 853829211 /nfs/dbraw/zinc/82/92/11/853829211.db2.gz HVBRYEYMBXNFEL-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207601343 853829214 /nfs/dbraw/zinc/82/92/14/853829214.db2.gz HVBRYEYMBXNFEL-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207601343 853829218 /nfs/dbraw/zinc/82/92/18/853829218.db2.gz HVBRYEYMBXNFEL-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207601343 853829224 /nfs/dbraw/zinc/82/92/24/853829224.db2.gz HVBRYEYMBXNFEL-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207601376 853829263 /nfs/dbraw/zinc/82/92/63/853829263.db2.gz IJJAQGCTMYDBBJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207601376 853829266 /nfs/dbraw/zinc/82/92/66/853829266.db2.gz IJJAQGCTMYDBBJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207601376 853829268 /nfs/dbraw/zinc/82/92/68/853829268.db2.gz IJJAQGCTMYDBBJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207601376 853829270 /nfs/dbraw/zinc/82/92/70/853829270.db2.gz IJJAQGCTMYDBBJ-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001208004743 853881310 /nfs/dbraw/zinc/88/13/10/853881310.db2.gz CKONCIBHYZJRRB-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001208004743 853881315 /nfs/dbraw/zinc/88/13/15/853881315.db2.gz CKONCIBHYZJRRB-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073507 853891587 /nfs/dbraw/zinc/89/15/87/853891587.db2.gz CXEOUDNZPQTHCD-KYJSFNMBSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073507 853891595 /nfs/dbraw/zinc/89/15/95/853891595.db2.gz CXEOUDNZPQTHCD-KYJSFNMBSA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074072 853892672 /nfs/dbraw/zinc/89/26/72/853892672.db2.gz OEFNANBZCPEGFE-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434772 853933237 /nfs/dbraw/zinc/93/32/37/853933237.db2.gz BBBODYLLVWKZFT-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434772 853933240 /nfs/dbraw/zinc/93/32/40/853933240.db2.gz BBBODYLLVWKZFT-OWCLPIDISA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434953 853933456 /nfs/dbraw/zinc/93/34/56/853933456.db2.gz LAKZOAIIUHERRT-IXDOHACOSA-N 2 1 355.523 0.798 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](CC)CC ZINC001208576018 853955087 /nfs/dbraw/zinc/95/50/87/853955087.db2.gz ZLNUTVAUFCYMSO-BZUAXINKSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC)C2)CC1 ZINC001208596173 853957879 /nfs/dbraw/zinc/95/78/79/853957879.db2.gz DXOUJKGRWYITHF-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001208692186 853966562 /nfs/dbraw/zinc/96/65/62/853966562.db2.gz WMLWMIYNDYVGQG-BMFZPTHFSA-N 2 1 354.495 0.058 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001208692186 853966571 /nfs/dbraw/zinc/96/65/71/853966571.db2.gz WMLWMIYNDYVGQG-BMFZPTHFSA-N 2 1 354.495 0.058 20 0 FCADMP COCOCCC[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001209027144 853991394 /nfs/dbraw/zinc/99/13/94/853991394.db2.gz QOEWIJUAPZGDGH-UHFFFAOYSA-N 2 1 357.495 0.500 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001209635260 854041969 /nfs/dbraw/zinc/04/19/69/854041969.db2.gz NRRQVZUNTRRDKK-MGPQQGTHSA-N 2 1 369.428 0.705 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001209642212 854043487 /nfs/dbraw/zinc/04/34/87/854043487.db2.gz DMIXBHKMIWCRLO-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836202 854056668 /nfs/dbraw/zinc/05/66/68/854056668.db2.gz JVEGIPJLGDUQSS-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836202 854056677 /nfs/dbraw/zinc/05/66/77/854056677.db2.gz JVEGIPJLGDUQSS-GDBMZVCRSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297481 854097711 /nfs/dbraw/zinc/09/77/11/854097711.db2.gz GZIFBTBFPBNMDA-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297481 854097716 /nfs/dbraw/zinc/09/77/16/854097716.db2.gz GZIFBTBFPBNMDA-OWCLPIDISA-N 2 1 356.511 0.306 20 0 FCADMP COc1ncccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314592 854098725 /nfs/dbraw/zinc/09/87/25/854098725.db2.gz BIEINDLPAZUNGO-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP COc1ncccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314592 854098727 /nfs/dbraw/zinc/09/87/27/854098727.db2.gz BIEINDLPAZUNGO-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210314750 854099554 /nfs/dbraw/zinc/09/95/54/854099554.db2.gz FITQXNQQZHXPDI-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210314750 854099557 /nfs/dbraw/zinc/09/95/57/854099557.db2.gz FITQXNQQZHXPDI-GDBMZVCRSA-N 2 1 350.463 0.605 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330288 854101866 /nfs/dbraw/zinc/10/18/66/854101866.db2.gz UUBKQDIVQQPVAK-BZUAXINKSA-N 2 1 350.507 0.774 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337676 854102035 /nfs/dbraw/zinc/10/20/35/854102035.db2.gz SBGSWVDTVKGFRR-GDBMZVCRSA-N 2 1 350.463 0.861 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337676 854102040 /nfs/dbraw/zinc/10/20/40/854102040.db2.gz SBGSWVDTVKGFRR-GDBMZVCRSA-N 2 1 350.463 0.861 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426523 854108856 /nfs/dbraw/zinc/10/88/56/854108856.db2.gz HDTHTHGHFURVHB-IXDOHACOSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521538 854115123 /nfs/dbraw/zinc/11/51/23/854115123.db2.gz HOGGDFLTUJCFGX-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521538 854115130 /nfs/dbraw/zinc/11/51/30/854115130.db2.gz HOGGDFLTUJCFGX-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521538 854115137 /nfs/dbraw/zinc/11/51/37/854115137.db2.gz HOGGDFLTUJCFGX-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001210521538 854115143 /nfs/dbraw/zinc/11/51/43/854115143.db2.gz HOGGDFLTUJCFGX-OWCLPIDISA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1C ZINC001211046275 854150067 /nfs/dbraw/zinc/15/00/67/854150067.db2.gz LROKVLFPZILHCO-QLFBSQMISA-N 2 1 363.449 0.673 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211300945 854174771 /nfs/dbraw/zinc/17/47/71/854174771.db2.gz OZZYIFPYEIKZQB-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211300945 854174775 /nfs/dbraw/zinc/17/47/75/854174775.db2.gz OZZYIFPYEIKZQB-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343813 854179342 /nfs/dbraw/zinc/17/93/42/854179342.db2.gz NHZMSSBIHUOTMK-KFWWJZLASA-N 2 1 350.463 0.104 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001211369319 854183399 /nfs/dbraw/zinc/18/33/99/854183399.db2.gz FOVSXCPMGMBJKX-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001211369319 854183404 /nfs/dbraw/zinc/18/34/04/854183404.db2.gz FOVSXCPMGMBJKX-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001211369319 854183408 /nfs/dbraw/zinc/18/34/08/854183408.db2.gz FOVSXCPMGMBJKX-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001211369319 854183411 /nfs/dbraw/zinc/18/34/11/854183411.db2.gz FOVSXCPMGMBJKX-HUUCEWRRSA-N 2 1 355.527 0.861 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001212368033 854454973 /nfs/dbraw/zinc/45/49/73/854454973.db2.gz DRDULYBYPOVYRR-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001212368033 854454974 /nfs/dbraw/zinc/45/49/74/854454974.db2.gz DRDULYBYPOVYRR-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212368033 854454975 /nfs/dbraw/zinc/45/49/75/854454975.db2.gz DRDULYBYPOVYRR-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001212368033 854454976 /nfs/dbraw/zinc/45/49/76/854454976.db2.gz DRDULYBYPOVYRR-IXDOHACOSA-N 2 1 357.495 0.339 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221738 854539494 /nfs/dbraw/zinc/53/94/94/854539494.db2.gz OSABMNOHJJCLBF-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342094 854581765 /nfs/dbraw/zinc/58/17/65/854581765.db2.gz GTHVKDNTDOWBIO-IXDOHACOSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346424 854583932 /nfs/dbraw/zinc/58/39/32/854583932.db2.gz LXZKEMNIAGTHHP-BRWVUGGUSA-N 2 1 359.511 0.177 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376971 854594101 /nfs/dbraw/zinc/59/41/01/854594101.db2.gz QVEHYDKREGJLKL-HUUCEWRRSA-N 2 1 363.487 0.958 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376971 854594105 /nfs/dbraw/zinc/59/41/05/854594105.db2.gz QVEHYDKREGJLKL-HUUCEWRRSA-N 2 1 363.487 0.958 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374805 854594118 /nfs/dbraw/zinc/59/41/18/854594118.db2.gz YNFXELMHQOJQQD-BRWVUGGUSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374805 854594123 /nfs/dbraw/zinc/59/41/23/854594123.db2.gz YNFXELMHQOJQQD-BRWVUGGUSA-N 2 1 353.438 0.626 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378175 854595033 /nfs/dbraw/zinc/59/50/33/854595033.db2.gz GFLLUYOCAQKKBE-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378175 854595036 /nfs/dbraw/zinc/59/50/36/854595036.db2.gz GFLLUYOCAQKKBE-RBSFLKMASA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1CN(CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001213458114 854625519 /nfs/dbraw/zinc/62/55/19/854625519.db2.gz LVJAAQPQIYYISW-KCYZZUKISA-N 2 1 350.463 0.764 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001213526307 854651859 /nfs/dbraw/zinc/65/18/59/854651859.db2.gz HFTKVIDYGFMMTP-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001213526307 854651865 /nfs/dbraw/zinc/65/18/65/854651865.db2.gz HFTKVIDYGFMMTP-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001213526307 854651870 /nfs/dbraw/zinc/65/18/70/854651870.db2.gz HFTKVIDYGFMMTP-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001213526307 854651878 /nfs/dbraw/zinc/65/18/78/854651878.db2.gz HFTKVIDYGFMMTP-BRWVUGGUSA-N 2 1 357.495 0.074 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576320 854672494 /nfs/dbraw/zinc/67/24/94/854672494.db2.gz KDNQKZUWUBKEDJ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576320 854672498 /nfs/dbraw/zinc/67/24/98/854672498.db2.gz KDNQKZUWUBKEDJ-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671597 854708913 /nfs/dbraw/zinc/70/89/13/854708913.db2.gz NTIMSBVFTDCICU-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671597 854708915 /nfs/dbraw/zinc/70/89/15/854708915.db2.gz NTIMSBVFTDCICU-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671597 854708918 /nfs/dbraw/zinc/70/89/18/854708918.db2.gz NTIMSBVFTDCICU-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671597 854708921 /nfs/dbraw/zinc/70/89/21/854708921.db2.gz NTIMSBVFTDCICU-ARFHVFGLSA-N 2 1 356.511 0.401 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213730425 854740797 /nfs/dbraw/zinc/74/07/97/854740797.db2.gz OYZYGNAOOAFIQD-IXDOHACOSA-N 2 1 357.495 0.195 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214344060 854928141 /nfs/dbraw/zinc/92/81/41/854928141.db2.gz NGYOKMDNHRSSBL-UPJWGTAASA-N 2 1 351.476 0.612 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001214389419 854937963 /nfs/dbraw/zinc/93/79/63/854937963.db2.gz XWZHKRNZXMXXHW-YUELXQCFSA-N 2 1 351.451 0.078 20 0 FCADMP Cc1noc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001214389419 854937967 /nfs/dbraw/zinc/93/79/67/854937967.db2.gz XWZHKRNZXMXXHW-YUELXQCFSA-N 2 1 351.451 0.078 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214780421 855012212 /nfs/dbraw/zinc/01/22/12/855012212.db2.gz ZLRMRFDDVBQURE-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001214845406 855021899 /nfs/dbraw/zinc/02/18/99/855021899.db2.gz RWLGVMGLTPBOGQ-BZUAXINKSA-N 2 1 359.536 0.445 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001214845549 855022078 /nfs/dbraw/zinc/02/20/78/855022078.db2.gz YRRYGIVIIZJGKP-HLLBOEOZSA-N 2 1 350.507 0.679 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968978 855041555 /nfs/dbraw/zinc/04/15/55/855041555.db2.gz GQGNYYBDQZXKES-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968866 855041677 /nfs/dbraw/zinc/04/16/77/855041677.db2.gz FFKZVNVVXQITCK-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214969284 855042336 /nfs/dbraw/zinc/04/23/36/855042336.db2.gz NQDNWOIWEGQWTH-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001214998360 855049371 /nfs/dbraw/zinc/04/93/71/855049371.db2.gz VRCOQMPSMIUTAR-ZIAGYGMSSA-N 2 1 362.540 0.045 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001215003824 855050595 /nfs/dbraw/zinc/05/05/95/855050595.db2.gz LWAVIJUPIIDVKB-VXGBXAGGSA-N 2 1 368.507 0.643 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001215155666 855074646 /nfs/dbraw/zinc/07/46/46/855074646.db2.gz FGQVPPDICVPZGJ-DGCLKSJQSA-N 2 1 362.459 0.723 20 0 FCADMP CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cs1 ZINC001215458808 855117145 /nfs/dbraw/zinc/11/71/45/855117145.db2.gz LTZKDYKHKQNGAX-BXUZGUMPSA-N 2 1 353.492 0.990 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215539969 855126277 /nfs/dbraw/zinc/12/62/77/855126277.db2.gz FSUIEEVGNUVAGQ-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539865 855126492 /nfs/dbraw/zinc/12/64/92/855126492.db2.gz AVRHXKOLYWYYKH-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536059 855126580 /nfs/dbraw/zinc/12/65/80/855126580.db2.gz GCRRMNGULITNNA-OWCLPIDISA-N 2 1 354.495 0.060 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215539968 855126649 /nfs/dbraw/zinc/12/66/49/855126649.db2.gz FSUIEEVGNUVAGQ-ARFHVFGLSA-N 2 1 359.536 0.590 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541356 855126995 /nfs/dbraw/zinc/12/69/95/855126995.db2.gz ZARLDFRVWRBRBW-ARFHVFGLSA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001215939221 855159019 /nfs/dbraw/zinc/15/90/19/855159019.db2.gz ZQKOOPVRNYEYDU-FGTMMUONSA-N 2 1 353.507 0.962 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001215973208 855162031 /nfs/dbraw/zinc/16/20/31/855162031.db2.gz XSKGSSXVYWNZGD-HUUCEWRRSA-N 2 1 351.499 0.659 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001215973208 855162034 /nfs/dbraw/zinc/16/20/34/855162034.db2.gz XSKGSSXVYWNZGD-HUUCEWRRSA-N 2 1 351.499 0.659 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216226133 855180534 /nfs/dbraw/zinc/18/05/34/855180534.db2.gz NKKMFEWNTZVUFF-ZIAGYGMSSA-N 2 1 367.519 0.884 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001216463768 855205159 /nfs/dbraw/zinc/20/51/59/855205159.db2.gz IPJJGNWOWMEBBP-HUUCEWRRSA-N 2 1 354.474 0.916 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216511422 855209227 /nfs/dbraw/zinc/20/92/27/855209227.db2.gz RRIQSMLTZLMHDM-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)c2nccs2)C1 ZINC001216511591 855209538 /nfs/dbraw/zinc/20/95/38/855209538.db2.gz VXHGQEVNSYZPSD-ZIAGYGMSSA-N 2 1 367.519 0.884 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216510855 855210089 /nfs/dbraw/zinc/21/00/89/855210089.db2.gz AWMXUCOWIKIPNG-HUUCEWRRSA-N 2 1 362.540 0.046 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218355374 855417612 /nfs/dbraw/zinc/41/76/12/855417612.db2.gz MRWQYLPCQYXXDW-RCCFBDPRSA-N 2 1 351.491 0.809 20 0 FCADMP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789529 855479126 /nfs/dbraw/zinc/47/91/26/855479126.db2.gz MGHNOBVIEHGOAT-DLBZAZTESA-N 2 1 355.479 0.047 20 0 FCADMP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789529 855479131 /nfs/dbraw/zinc/47/91/31/855479131.db2.gz MGHNOBVIEHGOAT-DLBZAZTESA-N 2 1 355.479 0.047 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001218820164 855482365 /nfs/dbraw/zinc/48/23/65/855482365.db2.gz YYIYVBHIXVKKIX-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001218820164 855482369 /nfs/dbraw/zinc/48/23/69/855482369.db2.gz YYIYVBHIXVKKIX-JKSUJKDBSA-N 2 1 352.504 0.939 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826665 855484092 /nfs/dbraw/zinc/48/40/92/855484092.db2.gz WIKFCASLTPAYEE-OKZBNKHCSA-N 2 1 353.507 0.791 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031757 855517704 /nfs/dbraw/zinc/51/77/04/855517704.db2.gz ANEVWEZVZCIZEI-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031757 855517710 /nfs/dbraw/zinc/51/77/10/855517710.db2.gz ANEVWEZVZCIZEI-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031757 855517715 /nfs/dbraw/zinc/51/77/15/855517715.db2.gz ANEVWEZVZCIZEI-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001219031757 855517720 /nfs/dbraw/zinc/51/77/20/855517720.db2.gz ANEVWEZVZCIZEI-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796557 855817344 /nfs/dbraw/zinc/81/73/44/855817344.db2.gz GWIKIXJMOXEGEG-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796557 855817352 /nfs/dbraw/zinc/81/73/52/855817352.db2.gz GWIKIXJMOXEGEG-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796557 855817357 /nfs/dbraw/zinc/81/73/57/855817357.db2.gz GWIKIXJMOXEGEG-KURKYZTESA-N 2 1 353.507 0.981 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796700 855817674 /nfs/dbraw/zinc/81/76/74/855817674.db2.gz MSWMEEHZXMLHCS-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796700 855817677 /nfs/dbraw/zinc/81/76/77/855817677.db2.gz MSWMEEHZXMLHCS-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP COCCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219796700 855817678 /nfs/dbraw/zinc/81/76/78/855817678.db2.gz MSWMEEHZXMLHCS-BBWFWOEESA-N 2 1 357.495 0.074 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798016 855818348 /nfs/dbraw/zinc/81/83/48/855818348.db2.gz CKNOYGKVYWKABM-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798016 855818354 /nfs/dbraw/zinc/81/83/54/855818354.db2.gz CKNOYGKVYWKABM-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219798016 855818357 /nfs/dbraw/zinc/81/83/57/855818357.db2.gz CKNOYGKVYWKABM-KURKYZTESA-N 2 1 355.523 0.942 20 0 FCADMP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219800813 855819928 /nfs/dbraw/zinc/81/99/28/855819928.db2.gz NTDKTWQTWRCWDV-HOTGVXAUSA-N 3 1 350.507 0.335 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CCC1 ZINC001219802628 855820817 /nfs/dbraw/zinc/82/08/17/855820817.db2.gz XSTLVOSTYXPGDS-ZACQAIPSSA-N 2 1 353.507 0.573 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219803622 855821074 /nfs/dbraw/zinc/82/10/74/855821074.db2.gz BATWVZRXVBTWBZ-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219847029 855843391 /nfs/dbraw/zinc/84/33/91/855843391.db2.gz PGQIBVYNHGQTDA-IKGGRYGDSA-N 2 1 351.495 0.247 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219847029 855843401 /nfs/dbraw/zinc/84/34/01/855843401.db2.gz PGQIBVYNHGQTDA-IKGGRYGDSA-N 2 1 351.495 0.247 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057908 855937735 /nfs/dbraw/zinc/93/77/35/855937735.db2.gz LCDFSGQKPSAFPF-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)CCCCC1 ZINC001220072038 855946043 /nfs/dbraw/zinc/94/60/43/855946043.db2.gz BVICPYYEORPQJU-BBWFWOEESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)CC1 ZINC001220230896 856023721 /nfs/dbraw/zinc/02/37/21/856023721.db2.gz STUXVEBMCHSTBA-SJORKVTESA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220237892 856026468 /nfs/dbraw/zinc/02/64/68/856026468.db2.gz HCNSXTKFCPOWKO-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220237892 856026470 /nfs/dbraw/zinc/02/64/70/856026470.db2.gz HCNSXTKFCPOWKO-ZACQAIPSSA-N 2 1 353.438 0.362 20 0 FCADMP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220315699 856061491 /nfs/dbraw/zinc/06/14/91/856061491.db2.gz HFKNJKZMRPNDBW-BXWFABGCSA-N 3 1 350.507 0.478 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367370 856087059 /nfs/dbraw/zinc/08/70/59/856087059.db2.gz VMEJHFXIQGWXCX-XQQFMLRXSA-N 2 1 369.428 0.439 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367370 856087066 /nfs/dbraw/zinc/08/70/66/856087066.db2.gz VMEJHFXIQGWXCX-XQQFMLRXSA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367370 856087069 /nfs/dbraw/zinc/08/70/69/856087069.db2.gz VMEJHFXIQGWXCX-XQQFMLRXSA-N 2 1 369.428 0.439 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220367370 856087079 /nfs/dbraw/zinc/08/70/79/856087079.db2.gz VMEJHFXIQGWXCX-XQQFMLRXSA-N 2 1 369.428 0.439 20 0 FCADMP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH3+])OC(C)(C)O1 ZINC001220466575 856142445 /nfs/dbraw/zinc/14/24/45/856142445.db2.gz FRUCCRVCHVCHRX-AGIUHOORSA-N 2 1 359.467 0.421 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637960 856215117 /nfs/dbraw/zinc/21/51/17/856215117.db2.gz PRQJLWQIBLOVMI-SJORKVTESA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220688309 856242306 /nfs/dbraw/zinc/24/23/06/856242306.db2.gz FLHNOBRWMJOSLI-SJORKVTESA-N 2 1 353.438 0.321 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220822430 856324759 /nfs/dbraw/zinc/32/47/59/856324759.db2.gz YKQIAGIALHBRNF-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220822430 856324762 /nfs/dbraw/zinc/32/47/62/856324762.db2.gz YKQIAGIALHBRNF-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220822430 856324765 /nfs/dbraw/zinc/32/47/65/856324765.db2.gz YKQIAGIALHBRNF-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220822430 856324769 /nfs/dbraw/zinc/32/47/69/856324769.db2.gz YKQIAGIALHBRNF-SJORKVTESA-N 2 1 353.438 0.708 20 0 FCADMP CC(C)(C)C(=O)CN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001220908899 856369275 /nfs/dbraw/zinc/36/92/75/856369275.db2.gz CHXGTYVPTKRMRB-AUUYWEPGSA-N 2 1 350.507 0.381 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O ZINC001220986023 856408971 /nfs/dbraw/zinc/40/89/71/856408971.db2.gz OSTPFQHVVBNVJE-JQHSSLGASA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220994167 856411987 /nfs/dbraw/zinc/41/19/87/856411987.db2.gz DTSWPTGJTRQGQT-KURKYZTESA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001221081253 856452604 /nfs/dbraw/zinc/45/26/04/856452604.db2.gz IMAPXYYAAKCLOM-ILXRZTDVSA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001221081253 856452615 /nfs/dbraw/zinc/45/26/15/856452615.db2.gz IMAPXYYAAKCLOM-ILXRZTDVSA-N 2 1 361.433 0.448 20 0 FCADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130470 856474944 /nfs/dbraw/zinc/47/49/44/856474944.db2.gz TTXCQQYOGHGXJQ-QGZVFWFLSA-N 2 1 351.539 0.413 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414585 856560352 /nfs/dbraw/zinc/56/03/52/856560352.db2.gz VEKZQCREQXWGPA-OAGGEKHMSA-N 2 1 355.866 0.798 20 0 FCADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)cc1 ZINC001221414580 856560522 /nfs/dbraw/zinc/56/05/22/856560522.db2.gz VEKZQCREQXWGPA-BZUAXINKSA-N 2 1 355.866 0.798 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221654356 856640808 /nfs/dbraw/zinc/64/08/08/856640808.db2.gz GRWXESZABYLRRV-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221654356 856640802 /nfs/dbraw/zinc/64/08/02/856640802.db2.gz GRWXESZABYLRRV-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221654356 856640811 /nfs/dbraw/zinc/64/08/11/856640811.db2.gz GRWXESZABYLRRV-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221654356 856640818 /nfs/dbraw/zinc/64/08/18/856640818.db2.gz GRWXESZABYLRRV-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001221654885 856641975 /nfs/dbraw/zinc/64/19/75/856641975.db2.gz WXIXQTVEUYMIMO-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCN3CCCC3=O)C[C@H]21 ZINC001221654885 856641977 /nfs/dbraw/zinc/64/19/77/856641977.db2.gz WXIXQTVEUYMIMO-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221654885 856641979 /nfs/dbraw/zinc/64/19/79/856641979.db2.gz WXIXQTVEUYMIMO-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221654885 856641982 /nfs/dbraw/zinc/64/19/82/856641982.db2.gz WXIXQTVEUYMIMO-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001221657528 856642339 /nfs/dbraw/zinc/64/23/39/856642339.db2.gz ZHKXZHXZBJHYMT-HUUCEWRRSA-N 2 1 351.495 0.275 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001221657528 856642343 /nfs/dbraw/zinc/64/23/43/856642343.db2.gz ZHKXZHXZBJHYMT-HUUCEWRRSA-N 2 1 351.495 0.275 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221657528 856642345 /nfs/dbraw/zinc/64/23/45/856642345.db2.gz ZHKXZHXZBJHYMT-HUUCEWRRSA-N 2 1 351.495 0.275 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221657528 856642347 /nfs/dbraw/zinc/64/23/47/856642347.db2.gz ZHKXZHXZBJHYMT-HUUCEWRRSA-N 2 1 351.495 0.275 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776996 856678435 /nfs/dbraw/zinc/67/84/35/856678435.db2.gz NHXUGDXCVHBYDS-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221787038 856683019 /nfs/dbraw/zinc/68/30/19/856683019.db2.gz IBRCGLVNDUUWNW-USXIJHARSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221787038 856683026 /nfs/dbraw/zinc/68/30/26/856683026.db2.gz IBRCGLVNDUUWNW-USXIJHARSA-N 2 1 371.547 0.542 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787683 856683856 /nfs/dbraw/zinc/68/38/56/856683856.db2.gz YUVBPHMYGVNKFE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787683 856683867 /nfs/dbraw/zinc/68/38/67/856683867.db2.gz YUVBPHMYGVNKFE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793058 856685004 /nfs/dbraw/zinc/68/50/04/856685004.db2.gz MBUGNMMPMOTQOD-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793058 856685017 /nfs/dbraw/zinc/68/50/17/856685017.db2.gz MBUGNMMPMOTQOD-JFIYKMOQSA-N 2 1 352.523 0.974 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848828 856710090 /nfs/dbraw/zinc/71/00/90/856710090.db2.gz ILXSUVGVKQFEOC-QZTJIDSGSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)C(C)C ZINC001221877866 856719863 /nfs/dbraw/zinc/71/98/63/856719863.db2.gz NBIXDNABDSLZLP-KURKYZTESA-N 2 1 355.523 0.894 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034622 856779428 /nfs/dbraw/zinc/77/94/28/856779428.db2.gz BIMVNTKHBOYYQH-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034622 856779434 /nfs/dbraw/zinc/77/94/34/856779434.db2.gz BIMVNTKHBOYYQH-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034622 856779439 /nfs/dbraw/zinc/77/94/39/856779439.db2.gz BIMVNTKHBOYYQH-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001222034622 856779443 /nfs/dbraw/zinc/77/94/43/856779443.db2.gz BIMVNTKHBOYYQH-KURKYZTESA-N 2 1 351.491 0.666 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053155 856787986 /nfs/dbraw/zinc/78/79/86/856787986.db2.gz HCMSMWBMCBBCII-IXDOHACOSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053155 856787991 /nfs/dbraw/zinc/78/79/91/856787991.db2.gz HCMSMWBMCBBCII-IXDOHACOSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053155 856787996 /nfs/dbraw/zinc/78/79/96/856787996.db2.gz HCMSMWBMCBBCII-IXDOHACOSA-N 2 1 350.507 0.869 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1=O ZINC001222053155 856788003 /nfs/dbraw/zinc/78/80/03/856788003.db2.gz HCMSMWBMCBBCII-IXDOHACOSA-N 2 1 350.507 0.869 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799905 856873390 /nfs/dbraw/zinc/87/33/90/856873390.db2.gz RKURNQORKANKOI-OAGGEKHMSA-N 2 1 356.486 0.725 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799905 856873396 /nfs/dbraw/zinc/87/33/96/856873396.db2.gz RKURNQORKANKOI-OAGGEKHMSA-N 2 1 356.486 0.725 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200427 856900167 /nfs/dbraw/zinc/90/01/67/856900167.db2.gz LWYOLAZTIKYLFR-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245365 856903667 /nfs/dbraw/zinc/90/36/67/856903667.db2.gz AFTIQBRTIFZVJA-ZACQAIPSSA-N 2 1 353.507 0.791 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001223387211 856911634 /nfs/dbraw/zinc/91/16/34/856911634.db2.gz BMDJDGAMNHJSGS-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)CC1 ZINC001223387211 856911640 /nfs/dbraw/zinc/91/16/40/856911640.db2.gz BMDJDGAMNHJSGS-CVEARBPZSA-N 2 1 371.547 0.686 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430209 856915165 /nfs/dbraw/zinc/91/51/65/856915165.db2.gz JGLNQCYZIPOZLC-SJORKVTESA-N 2 1 354.495 0.014 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223412007 856915371 /nfs/dbraw/zinc/91/53/71/856915371.db2.gz XFUFBQRQLVREGJ-AEFFLSMTSA-N 2 1 353.507 0.914 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505487 856921734 /nfs/dbraw/zinc/92/17/34/856921734.db2.gz DZAQKVRUFJMJMX-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505487 856921737 /nfs/dbraw/zinc/92/17/37/856921737.db2.gz DZAQKVRUFJMJMX-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505487 856921744 /nfs/dbraw/zinc/92/17/44/856921744.db2.gz DZAQKVRUFJMJMX-BBWFWOEESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223726321 856939243 /nfs/dbraw/zinc/93/92/43/856939243.db2.gz DONVPPHQXAEXRV-CVEARBPZSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223954745 856952478 /nfs/dbraw/zinc/95/24/78/856952478.db2.gz BNNYPTQOWOBINL-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001223955823 856953956 /nfs/dbraw/zinc/95/39/56/856953956.db2.gz RUBZMCMOBQLLEW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001223955823 856953963 /nfs/dbraw/zinc/95/39/63/856953963.db2.gz RUBZMCMOBQLLEW-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225347035 857036217 /nfs/dbraw/zinc/03/62/17/857036217.db2.gz VFNWVUVLMFWCFV-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225346973 857036412 /nfs/dbraw/zinc/03/64/12/857036412.db2.gz TWTOACULNXSWOX-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525761 857047868 /nfs/dbraw/zinc/04/78/68/857047868.db2.gz USBLYGJTIZHHHK-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525761 857047877 /nfs/dbraw/zinc/04/78/77/857047877.db2.gz USBLYGJTIZHHHK-BZUAXINKSA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)CC[N@H+]1C ZINC001226334345 857098399 /nfs/dbraw/zinc/09/83/99/857098399.db2.gz SOJPJSSTCORCLY-MWQQHZPXSA-N 2 1 350.507 0.870 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226891977 857130236 /nfs/dbraw/zinc/13/02/36/857130236.db2.gz XCTNPVMUOBPCIS-ARFHVFGLSA-N 2 1 359.536 0.922 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444425 857160550 /nfs/dbraw/zinc/16/05/50/857160550.db2.gz REGJJPXOGOGLDJ-GDBMZVCRSA-N 2 1 353.511 0.615 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)CC[N@@H+]1C ZINC001227442713 857160647 /nfs/dbraw/zinc/16/06/47/857160647.db2.gz BVMHXKOSGAOIJY-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)CC[N@H+]1C ZINC001227442713 857160651 /nfs/dbraw/zinc/16/06/51/857160651.db2.gz BVMHXKOSGAOIJY-RHSMWYFYSA-N 2 1 350.507 0.776 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228260888 857199371 /nfs/dbraw/zinc/19/93/71/857199371.db2.gz GVVPGISFVPHLIO-HUUCEWRRSA-N 2 1 351.499 0.942 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNC(=O)C2CC2)C1 ZINC001228603709 857218158 /nfs/dbraw/zinc/21/81/58/857218158.db2.gz SEQQYRBIGPGIDW-DJIMGWMZSA-N 2 1 350.507 0.871 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001228624024 857220277 /nfs/dbraw/zinc/22/02/77/857220277.db2.gz QPYJDMAABOYXKP-CHWSQXEVSA-N 2 1 355.483 0.176 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141640 857253279 /nfs/dbraw/zinc/25/32/79/857253279.db2.gz GHIMLGKPCWVPAH-HZPDHXFCSA-N 2 1 354.495 0.250 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001229141306 857253438 /nfs/dbraw/zinc/25/34/38/857253438.db2.gz AFHKCFLFBUDTGY-OAGGEKHMSA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229495209 857272511 /nfs/dbraw/zinc/27/25/11/857272511.db2.gz CGBKEIDIBLESKW-GVDBMIGSSA-N 2 1 351.495 0.603 20 0 FCADMP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001229682362 857281962 /nfs/dbraw/zinc/28/19/62/857281962.db2.gz ADFPFJSZRHRBNO-DJIMGWMZSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229877165 857291336 /nfs/dbraw/zinc/29/13/36/857291336.db2.gz MJWOCWDNCDUINN-BRWVUGGUSA-N 2 1 351.495 0.603 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230274582 857322471 /nfs/dbraw/zinc/32/24/71/857322471.db2.gz AOOYOTLJZWOZAE-BFHYXJOUSA-N 2 1 355.483 0.188 20 0 FCADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@H]1CNCCO1)C2 ZINC001235326345 857422624 /nfs/dbraw/zinc/42/26/24/857422624.db2.gz WNOMHCJHCOKOQO-JTDSTZFVSA-N 2 1 351.491 0.620 20 0 FCADMP [NH3+]CCCC[NH+]1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001235614025 857429995 /nfs/dbraw/zinc/42/99/95/857429995.db2.gz BOMVDJUYFDEJOW-UHFFFAOYSA-N 2 1 352.523 0.761 20 0 FCADMP [NH3+]CCCCN1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001235614025 857430003 /nfs/dbraw/zinc/43/00/03/857430003.db2.gz BOMVDJUYFDEJOW-UHFFFAOYSA-N 2 1 352.523 0.761 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]1C2 ZINC001236020964 857435954 /nfs/dbraw/zinc/43/59/54/857435954.db2.gz APSAPYIBYRXOSV-NPSOMJIGSA-N 2 1 353.463 0.842 20 0 FCADMP [NH3+][C@H](CCCCNS(=O)(=O)[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238899611 857487189 /nfs/dbraw/zinc/48/71/89/857487189.db2.gz GNTPRUKUXKZNJM-HZPDHXFCSA-N 2 1 369.487 0.509 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001239075962 857505099 /nfs/dbraw/zinc/50/50/99/857505099.db2.gz LSZHPBMSZKKOIR-HDICACEKSA-N 2 1 364.515 0.775 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001239082958 857510487 /nfs/dbraw/zinc/51/04/87/857510487.db2.gz UHOLIFFQKPJSKV-UHFFFAOYSA-N 2 1 368.503 0.285 20 0 FCADMP [NH3+]CCS(=O)(=O)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001239082958 857510490 /nfs/dbraw/zinc/51/04/90/857510490.db2.gz UHOLIFFQKPJSKV-UHFFFAOYSA-N 2 1 368.503 0.285 20 0 FCADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001279503848 862921128 /nfs/dbraw/zinc/92/11/28/862921128.db2.gz AIWQGAIIIFEOIA-VHKIVQRHSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246020056 857564611 /nfs/dbraw/zinc/56/46/11/857564611.db2.gz HCQOGJXPFCTFHI-USXIJHARSA-N 2 1 350.459 0.753 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246022307 857564935 /nfs/dbraw/zinc/56/49/35/857564935.db2.gz JGOFDUUYMVJGPD-XLAORIBOSA-N 3 1 354.445 0.221 20 0 FCADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246055942 857567001 /nfs/dbraw/zinc/56/70/01/857567001.db2.gz MYFQAELZRANBNU-RBUKOAKNSA-N 2 1 358.571 0.665 20 0 FCADMP O=C([C@@H]1C[C@H](NC2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246139133 857569070 /nfs/dbraw/zinc/56/90/70/857569070.db2.gz RWKZKXLMIRPOCC-RDJZCZTQSA-N 3 1 367.563 0.056 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)N2 ZINC001246159693 857569913 /nfs/dbraw/zinc/56/99/13/857569913.db2.gz ZFTDUEQCDPKRLQ-FNINWESVSA-N 2 1 351.491 0.807 20 0 FCADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001246280875 857572226 /nfs/dbraw/zinc/57/22/26/857572226.db2.gz SITZWMFIXUPYEV-HOCLYGCPSA-N 2 1 353.488 0.938 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246456139 857579939 /nfs/dbraw/zinc/57/99/39/857579939.db2.gz HVYZVEFYPCJBLP-AWEZNQCLSA-N 2 1 351.513 0.051 20 0 FCADMP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545294 857584413 /nfs/dbraw/zinc/58/44/13/857584413.db2.gz AVVRHCVETKNILV-DZGCQCFKSA-N 2 1 352.472 0.896 20 0 FCADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@H]1C(=O)OC ZINC001246603928 857585653 /nfs/dbraw/zinc/58/56/53/857585653.db2.gz MJZNPPNROHCATP-RRFJBIMHSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246596663 857585669 /nfs/dbraw/zinc/58/56/69/857585669.db2.gz QJMRMQJAVCEXKG-KRXQYRFLSA-N 2 1 353.463 0.145 20 0 FCADMP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246699307 857591634 /nfs/dbraw/zinc/59/16/34/857591634.db2.gz GRSXFQRPAZFIQE-PAPPNBKPSA-N 2 1 351.491 0.998 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709344 857592280 /nfs/dbraw/zinc/59/22/80/857592280.db2.gz NMDLQJLYBRMYDS-MWTISTBLSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)C[NH2+]1 ZINC001246709344 857592288 /nfs/dbraw/zinc/59/22/88/857592288.db2.gz NMDLQJLYBRMYDS-MWTISTBLSA-N 2 1 351.491 0.902 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733747 857595133 /nfs/dbraw/zinc/59/51/33/857595133.db2.gz BIPSFARUDNUWQU-ZMMAXQRCSA-N 2 1 351.491 0.714 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C[NH2+]1 ZINC001246733744 857595564 /nfs/dbraw/zinc/59/55/64/857595564.db2.gz BIPSFARUDNUWQU-FAJBIJEISA-N 2 1 351.491 0.714 20 0 FCADMP CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246742162 857596007 /nfs/dbraw/zinc/59/60/07/857596007.db2.gz WNPJXZKVLSGGGX-XTMPTPMBSA-N 2 1 351.491 0.998 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC001246760952 857598789 /nfs/dbraw/zinc/59/87/89/857598789.db2.gz RRIKZOZSRYGMMG-KLHDSHLOSA-N 2 1 362.499 0.271 20 0 FCADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757886 857598948 /nfs/dbraw/zinc/59/89/48/857598948.db2.gz WOYYPYJCJKWDPJ-TZNCUMHOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC001246757886 857598953 /nfs/dbraw/zinc/59/89/53/857598953.db2.gz WOYYPYJCJKWDPJ-TZNCUMHOSA-N 2 1 351.491 0.713 20 0 FCADMP CCOC(=O)[C@]12C[N@H+]([C@@H](C)CC(=O)N3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001246856483 857603262 /nfs/dbraw/zinc/60/32/62/857603262.db2.gz VFLIEKYIBQYPOO-HDMKZQKVSA-N 2 1 353.463 0.098 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CN1 ZINC001246854800 857603337 /nfs/dbraw/zinc/60/33/37/857603337.db2.gz HJLSOTVZNSJZNI-ZXFNITATSA-N 2 1 353.463 0.145 20 0 FCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CO1 ZINC001246855916 857603408 /nfs/dbraw/zinc/60/34/08/857603408.db2.gz QXGAUBZEFMKGDC-ZXFNITATSA-N 2 1 354.447 0.572 20 0 FCADMP C(C[N@@H+](CC1CC[NH2+]CC1)C1C[C@@H]2COC[C@H](C1)N2)N1CCOCC1 ZINC001246933073 857606646 /nfs/dbraw/zinc/60/66/46/857606646.db2.gz GFOKQGLFBRTPLR-DFNIBXOVSA-N 2 1 352.523 0.140 20 0 FCADMP CS(=O)(=O)c1cccc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246970508 857607636 /nfs/dbraw/zinc/60/76/36/857607636.db2.gz ZYUZHXILJSDFNI-INIZCTEOSA-N 2 1 364.515 0.306 20 0 FCADMP O=S(=O)(c1ccccc1)N1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246964403 857607898 /nfs/dbraw/zinc/60/78/98/857607898.db2.gz YUSIALSRCYIZQI-INIZCTEOSA-N 2 1 364.515 0.477 20 0 FCADMP Cc1nonc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001248858239 857638921 /nfs/dbraw/zinc/63/89/21/857638921.db2.gz GWDQGFMVZFFECN-UHFFFAOYSA-N 2 1 350.467 0.048 20 0 FCADMP Cc1nonc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001248858239 857638926 /nfs/dbraw/zinc/63/89/26/857638926.db2.gz GWDQGFMVZFFECN-UHFFFAOYSA-N 2 1 350.467 0.048 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251405837 857722460 /nfs/dbraw/zinc/72/24/60/857722460.db2.gz PXMZNBLSWOKUAY-GOSISDBHSA-N 2 1 356.511 0.538 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001251779943 857751121 /nfs/dbraw/zinc/75/11/21/857751121.db2.gz WSUGALVENISFNX-OWCLPIDISA-N 2 1 353.511 0.746 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389382 857885349 /nfs/dbraw/zinc/88/53/49/857885349.db2.gz ZYANUAAKIXWEOP-VKJFTORMSA-N 2 1 357.495 0.122 20 0 FCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389382 857885354 /nfs/dbraw/zinc/88/53/54/857885354.db2.gz ZYANUAAKIXWEOP-VKJFTORMSA-N 2 1 357.495 0.122 20 0 FCADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520398 857977258 /nfs/dbraw/zinc/97/72/58/857977258.db2.gz XKWCGSNIYSXJFC-VSZNYVQBSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520398 857977263 /nfs/dbraw/zinc/97/72/63/857977263.db2.gz XKWCGSNIYSXJFC-VSZNYVQBSA-N 2 1 351.491 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520398 857977266 /nfs/dbraw/zinc/97/72/66/857977266.db2.gz XKWCGSNIYSXJFC-VSZNYVQBSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@H+]1CCC[C@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001254519173 857977289 /nfs/dbraw/zinc/97/72/89/857977289.db2.gz HUAXIDACKLJCHH-AWEZNQCLSA-N 2 1 355.508 0.622 20 0 FCADMP CN(C)S(=O)(=O)N1CCC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615151 862980279 /nfs/dbraw/zinc/98/02/79/862980279.db2.gz LECHUCYDCXIHAR-QGZVFWFLSA-N 2 1 358.552 0.970 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCO)CN1C(=O)OC(C)(C)C ZINC001256262065 858063060 /nfs/dbraw/zinc/06/30/60/858063060.db2.gz CQDQWSNACPBOGS-ZIAGYGMSSA-N 2 1 359.467 0.441 20 0 FCADMP COC(=O)[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCO)CN1C(=O)OC(C)(C)C ZINC001256262065 858063065 /nfs/dbraw/zinc/06/30/65/858063065.db2.gz CQDQWSNACPBOGS-ZIAGYGMSSA-N 2 1 359.467 0.441 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCCOC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279618380 862984052 /nfs/dbraw/zinc/98/40/52/862984052.db2.gz WHNBUSLQCBHVQC-IEBWSBKVSA-N 2 1 352.523 0.631 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC001257111103 858119614 /nfs/dbraw/zinc/11/96/14/858119614.db2.gz QTOHCBLTQFKXDX-KRWDZBQOSA-N 2 1 356.536 0.483 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CC2CC[NH+](C)CC2)c1 ZINC001279629593 862986709 /nfs/dbraw/zinc/98/67/09/862986709.db2.gz XWPHFOAZMGZNDA-HOTGVXAUSA-N 2 1 367.519 0.599 20 0 FCADMP CC[NH+](CC)CCCN1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257239628 858132066 /nfs/dbraw/zinc/13/20/66/858132066.db2.gz WYWSUICCZCHPLG-UHFFFAOYSA-N 2 1 360.568 0.760 20 0 FCADMP C[NH+](C)CCN1CC2(C1)CN(Cc1cnc(N3CC[NH+](C)CC3)s1)C2 ZINC001279706267 863017605 /nfs/dbraw/zinc/01/76/05/863017605.db2.gz MVVIEMWCUUYWSH-UHFFFAOYSA-N 2 1 364.563 0.574 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCC[C@@]12CC[NH2+]C2 ZINC001262584212 859008530 /nfs/dbraw/zinc/00/85/30/859008530.db2.gz VBNRKCNAQDLOJF-SFHVURJKSA-N 2 1 352.479 0.405 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001270333117 859718930 /nfs/dbraw/zinc/71/89/30/859718930.db2.gz QKCJABHCXQKATA-HOTGVXAUSA-N 2 1 350.507 0.635 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC001270332587 859719150 /nfs/dbraw/zinc/71/91/50/859719150.db2.gz KKMXNBDHCAGWEJ-VQIMIIECSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001270333122 859719209 /nfs/dbraw/zinc/71/92/09/859719209.db2.gz QKCJABHCXQKATA-JKSUJKDBSA-N 2 1 350.507 0.635 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273254032 860428659 /nfs/dbraw/zinc/42/86/59/860428659.db2.gz HNZFJALXENGVQU-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001273254032 860428664 /nfs/dbraw/zinc/42/86/64/860428664.db2.gz HNZFJALXENGVQU-MRXNPFEDSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274204849 860706641 /nfs/dbraw/zinc/70/66/41/860706641.db2.gz YNAWPVRSLHARQC-UHFFFAOYSA-N 2 1 364.515 0.943 20 0 FCADMP CCCCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274306016 860727511 /nfs/dbraw/zinc/72/75/11/860727511.db2.gz SMKPMOUUPFVMGP-HDICACEKSA-N 2 1 354.539 0.972 20 0 FCADMP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001275171105 860976562 /nfs/dbraw/zinc/97/65/62/860976562.db2.gz DGQJQKNTCNWZSS-HRCADAONSA-N 2 1 363.531 0.873 20 0 FCADMP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCN1C ZINC001275171105 860976574 /nfs/dbraw/zinc/97/65/74/860976574.db2.gz DGQJQKNTCNWZSS-HRCADAONSA-N 2 1 363.531 0.873 20 0 FCADMP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCN1C ZINC001275171105 860976575 /nfs/dbraw/zinc/97/65/75/860976575.db2.gz DGQJQKNTCNWZSS-HRCADAONSA-N 2 1 363.531 0.873 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CCCC3OCCO3)C2)C1=O ZINC001275292624 861018051 /nfs/dbraw/zinc/01/80/51/861018051.db2.gz DDPFIHQZBOKCSG-SFHVURJKSA-N 2 1 353.463 0.542 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507462 861115469 /nfs/dbraw/zinc/11/54/69/861115469.db2.gz CFUCKEULUDPUQF-KBXCAEBGSA-N 2 1 354.495 0.141 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507462 861115473 /nfs/dbraw/zinc/11/54/73/861115473.db2.gz CFUCKEULUDPUQF-KBXCAEBGSA-N 2 1 354.495 0.141 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001275512385 861117236 /nfs/dbraw/zinc/11/72/36/861117236.db2.gz SKGHOBDOPNPZMK-DNVCBOLYSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001275512385 861117245 /nfs/dbraw/zinc/11/72/45/861117245.db2.gz SKGHOBDOPNPZMK-DNVCBOLYSA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001275737421 861179807 /nfs/dbraw/zinc/17/98/07/861179807.db2.gz KOGJGEQGAAMKIQ-OAGGEKHMSA-N 2 1 353.463 0.239 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001279992557 863171106 /nfs/dbraw/zinc/17/11/06/863171106.db2.gz FUFMLHYXULORFT-JKSUJKDBSA-N 2 1 369.579 0.687 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001279992557 863171112 /nfs/dbraw/zinc/17/11/12/863171112.db2.gz FUFMLHYXULORFT-JKSUJKDBSA-N 2 1 369.579 0.687 20 0 FCADMP CS(=O)(=O)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280059028 863232031 /nfs/dbraw/zinc/23/20/31/863232031.db2.gz RZRQASRSNKNCER-MRXNPFEDSA-N 2 1 369.531 0.440 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)CC1 ZINC001280125451 863276839 /nfs/dbraw/zinc/27/68/39/863276839.db2.gz JGJYCJBHQGNDRU-HNAYVOBHSA-N 2 1 350.482 0.657 20 0 FCADMP CS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280138442 863289056 /nfs/dbraw/zinc/28/90/56/863289056.db2.gz YUZSDGQVJJFLEH-FUHWJXTLSA-N 2 1 371.547 0.639 20 0 FCADMP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]2O1 ZINC001280259057 863366791 /nfs/dbraw/zinc/36/67/91/863366791.db2.gz VODKAOHTIQIKHI-BDXSIMOUSA-N 2 1 353.507 0.912 20 0 FCADMP COCCN(C)C(=O)C[C@@H]1C[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259057 863366801 /nfs/dbraw/zinc/36/68/01/863366801.db2.gz VODKAOHTIQIKHI-BDXSIMOUSA-N 2 1 353.507 0.912 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281856677 863829570 /nfs/dbraw/zinc/82/95/70/863829570.db2.gz HDVXVGALLMWLIY-KLHDSHLOSA-N 2 1 354.495 0.009 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001294758894 865854034 /nfs/dbraw/zinc/85/40/34/865854034.db2.gz VLMGZURLOCUPDU-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC001350014436 866490003 /nfs/dbraw/zinc/49/00/03/866490003.db2.gz NFBPYSQSVHVQIJ-BMFZPTHFSA-N 2 1 354.495 0.188 20 0 FCADMP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC001350205506 866530800 /nfs/dbraw/zinc/53/08/00/866530800.db2.gz XOJFSQFHNQQZRX-UYTSQGDYSA-N 2 1 351.495 0.463 20 0 FCADMP C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001351061051 866768573 /nfs/dbraw/zinc/76/85/73/866768573.db2.gz WWEJZFKITHVTIC-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001351061051 866768585 /nfs/dbraw/zinc/76/85/85/866768585.db2.gz WWEJZFKITHVTIC-MRXNPFEDSA-N 2 1 354.495 0.651 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001351213625 866815058 /nfs/dbraw/zinc/81/50/58/866815058.db2.gz UFWJWNICCRAJCN-BHYGNILZSA-N 2 1 353.511 0.173 20 0 FCADMP Cc1ncc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC001311103550 867072763 /nfs/dbraw/zinc/07/27/63/867072763.db2.gz UDSWHAKQYQKGMB-LBPRGKRZSA-N 2 1 350.467 0.882 20 0 FCADMP Cc1ncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C(N)=O ZINC001311103550 867072777 /nfs/dbraw/zinc/07/27/77/867072777.db2.gz UDSWHAKQYQKGMB-LBPRGKRZSA-N 2 1 350.467 0.882 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001353149412 867360738 /nfs/dbraw/zinc/36/07/38/867360738.db2.gz MDCADLIJXLJGND-ZIFCJYIRSA-N 2 1 350.507 0.289 20 0 FCADMP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001353507497 867439407 /nfs/dbraw/zinc/43/94/07/867439407.db2.gz NWVUWSIBTDXDNA-IRXDYDNUSA-N 2 1 353.511 0.306 20 0 FCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001353614452 867457196 /nfs/dbraw/zinc/45/71/96/867457196.db2.gz ZTYRIRCDILIWKC-MFKMUULPSA-N 2 1 358.236 0.644 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001353633510 867462671 /nfs/dbraw/zinc/46/26/71/867462671.db2.gz LFONKLHCHKAADY-WBVHZDCISA-N 2 1 350.438 0.788 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001318975598 867794265 /nfs/dbraw/zinc/79/42/65/867794265.db2.gz XIHSVEULNGJQEO-RDJZCZTQSA-N 2 1 353.511 0.032 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H](CF)C1 ZINC001356223035 867958964 /nfs/dbraw/zinc/95/89/64/867958964.db2.gz AZWBPVHDVMVMSD-HNNXBMFYSA-N 2 1 356.486 0.679 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H](CF)C1 ZINC001356223035 867958972 /nfs/dbraw/zinc/95/89/72/867958972.db2.gz AZWBPVHDVMVMSD-HNNXBMFYSA-N 2 1 356.486 0.679 20 0 FCADMP C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001356254202 867964045 /nfs/dbraw/zinc/96/40/45/867964045.db2.gz SDLHVCFPOQHIDS-WFASDCNBSA-N 2 1 351.520 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC001357559706 868133855 /nfs/dbraw/zinc/13/38/55/868133855.db2.gz HUHVMQRMITYECF-XHSDSOJGSA-N 2 1 354.495 0.242 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC[C@H]21 ZINC001357591228 868139279 /nfs/dbraw/zinc/13/92/79/868139279.db2.gz RDKFRLNZORTFKL-QLFBSQMISA-N 2 1 350.463 0.407 20 0 FCADMP CN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001322723828 868921188 /nfs/dbraw/zinc/92/11/88/868921188.db2.gz ILBPJSBZPPXKQK-GFCCVEGCSA-N 2 1 364.412 0.682 20 0 FCADMP CN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001322723828 868921201 /nfs/dbraw/zinc/92/12/01/868921201.db2.gz ILBPJSBZPPXKQK-GFCCVEGCSA-N 2 1 364.412 0.682 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725975 868921263 /nfs/dbraw/zinc/92/12/63/868921263.db2.gz ZGYDRYGOJGRXCD-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725975 868921273 /nfs/dbraw/zinc/92/12/73/868921273.db2.gz ZGYDRYGOJGRXCD-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CC[NH2+]CC2 ZINC001325830566 870051734 /nfs/dbraw/zinc/05/17/34/870051734.db2.gz XUQXZPFHEBJUDB-CVEARBPZSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001343243706 870316546 /nfs/dbraw/zinc/31/65/46/870316546.db2.gz SNCPBUYNJORUKD-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539292 870371288 /nfs/dbraw/zinc/37/12/88/870371288.db2.gz LYDLRBYLOKVGFB-AHCXZYCDSA-N 2 1 351.491 0.985 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001343434013 870423575 /nfs/dbraw/zinc/42/35/75/870423575.db2.gz LPLXVMBIYDGCTB-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001343434013 870423586 /nfs/dbraw/zinc/42/35/86/870423586.db2.gz LPLXVMBIYDGCTB-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001343434013 870423593 /nfs/dbraw/zinc/42/35/93/870423593.db2.gz LPLXVMBIYDGCTB-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001327498169 870909179 /nfs/dbraw/zinc/90/91/79/870909179.db2.gz ICEFIRVKVCXNAB-UONOGXRCSA-N 2 1 363.428 0.702 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001344717076 870991768 /nfs/dbraw/zinc/99/17/68/870991768.db2.gz XFEQHLDUBFNIIB-MRXNPFEDSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3nccs3)CC2)CC[N@H+]1C ZINC001328166918 871259757 /nfs/dbraw/zinc/25/97/57/871259757.db2.gz OXWIXRNUPBINTO-ZIAGYGMSSA-N 2 1 352.504 0.926 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001346169428 871681790 /nfs/dbraw/zinc/68/17/90/871681790.db2.gz KFGVMXTWLYWXJV-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001346169428 871681803 /nfs/dbraw/zinc/68/18/03/871681803.db2.gz KFGVMXTWLYWXJV-UHFFFAOYSA-N 2 1 354.495 0.856 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001329023734 871780855 /nfs/dbraw/zinc/78/08/55/871780855.db2.gz NQAMWFBDOMVOKZ-UHFFFAOYSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330691794 872768272 /nfs/dbraw/zinc/76/82/72/872768272.db2.gz RSEVTBMRKAXRPB-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CSC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001331241073 873028336 /nfs/dbraw/zinc/02/83/36/873028336.db2.gz YXPVDCOWVKHDNQ-AWEZNQCLSA-N 2 1 368.547 0.625 20 0 FCADMP CSC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC001331241073 873028350 /nfs/dbraw/zinc/02/83/50/873028350.db2.gz YXPVDCOWVKHDNQ-AWEZNQCLSA-N 2 1 368.547 0.625 20 0 FCADMP Cc1cccc(NCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)[nH+]1 ZINC001332290088 873438545 /nfs/dbraw/zinc/43/85/45/873438545.db2.gz HZKKHNGKUHFJIS-UHFFFAOYSA-N 2 1 355.508 0.359 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001332689878 873618251 /nfs/dbraw/zinc/61/82/51/873618251.db2.gz BSJSEVBKFBLWFG-BXWFABGCSA-N 2 1 350.507 0.907 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001333262691 873882021 /nfs/dbraw/zinc/88/20/21/873882021.db2.gz RIESZAHYVCVVEX-SQNIBIBYSA-N 2 1 350.507 0.430 20 0 FCADMP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476603 948384159 /nfs/dbraw/zinc/38/41/59/948384159.db2.gz LBZFMVXPDTZUDF-LZWOXQAQSA-N 2 1 353.430 0.513 20 0 FCADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476603 948384167 /nfs/dbraw/zinc/38/41/67/948384167.db2.gz LBZFMVXPDTZUDF-LZWOXQAQSA-N 2 1 353.430 0.513 20 0 FCADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926205 948991274 /nfs/dbraw/zinc/99/12/74/948991274.db2.gz KVYIHVGXFVNROQ-CQSZACIVSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574718454 949782472 /nfs/dbraw/zinc/78/24/72/949782472.db2.gz XKPXPRNLWIDSQN-KGLIPLIRSA-N 2 1 372.477 0.817 20 0 FCADMP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576193613 950308690 /nfs/dbraw/zinc/30/86/90/950308690.db2.gz UTZZBORUVXXCGS-STQMWFEESA-N 2 1 358.450 0.284 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196461 950364908 /nfs/dbraw/zinc/36/49/08/950364908.db2.gz FAHOEVJSRVCRJY-UONOGXRCSA-N 2 1 370.461 0.286 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576205570 950524510 /nfs/dbraw/zinc/52/45/10/950524510.db2.gz KBBNJJFRDLRASA-AWEZNQCLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001570996175 951010513 /nfs/dbraw/zinc/01/05/13/951010513.db2.gz OONLDAXGMHUFMF-KRWDZBQOSA-N 2 1 359.478 0.469 20 0 FCADMP O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571012337 951260819 /nfs/dbraw/zinc/26/08/19/951260819.db2.gz ZXGHIUPEFYDHKG-QLPKVWCKSA-N 2 1 364.413 0.379 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099022 951827474 /nfs/dbraw/zinc/82/74/74/951827474.db2.gz HEDLJSUBOADZRL-NWDGAFQWSA-N 2 1 363.491 0.722 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099814 951839458 /nfs/dbraw/zinc/83/94/58/951839458.db2.gz OXBMAAIJWJXPQV-WCQYABFASA-N 2 1 363.491 0.864 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575143834 952157721 /nfs/dbraw/zinc/15/77/21/952157721.db2.gz CWJBEUOWQMSHTK-CZUORRHYSA-N 2 1 372.477 0.815 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105218 952390733 /nfs/dbraw/zinc/39/07/33/952390733.db2.gz KEABLVIRZITION-CZUORRHYSA-N 2 1 373.436 0.791 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571105294 952393302 /nfs/dbraw/zinc/39/33/02/952393302.db2.gz MQPRWESWYBGUEV-ZIAGYGMSSA-N 2 1 373.436 0.648 20 0 FCADMP C[C@@H](O)C[N@@H+](CCO)Cc1cc(Cl)cc(C[NH+](CCO)C[C@H](C)O)c1 ZINC000295272022 214287236 /nfs/dbraw/zinc/28/72/36/214287236.db2.gz ZHEBSXJRHFVXDC-GASCZTMLSA-N 2 1 374.909 0.690 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1cc(Cl)cc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000295272022 214287238 /nfs/dbraw/zinc/28/72/38/214287238.db2.gz ZHEBSXJRHFVXDC-GASCZTMLSA-N 2 1 374.909 0.690 20 0 FCADMP C[C@@H](O)C[NH+](CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000295272022 214287240 /nfs/dbraw/zinc/28/72/40/214287240.db2.gz ZHEBSXJRHFVXDC-GASCZTMLSA-N 2 1 374.909 0.690 20 0 FCADMP COCC[NH+](CCO)Cc1cc(C[N@@H+](CCO)CCOC)ccc1F ZINC000297283300 214390595 /nfs/dbraw/zinc/39/05/95/214390595.db2.gz XMIODMBQCVCTQO-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP COCC[NH+](CCO)Cc1cc(C[N@H+](CCO)CCOC)ccc1F ZINC000297283300 214390597 /nfs/dbraw/zinc/39/05/97/214390597.db2.gz XMIODMBQCVCTQO-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP COCC[NH+](CCO)Cc1ccc(F)c(C[N@H+](CCO)CCOC)c1 ZINC000297283300 214390600 /nfs/dbraw/zinc/39/06/00/214390600.db2.gz XMIODMBQCVCTQO-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP COCC[NH+](CCO)Cc1ccc(F)c(C[N@@H+](CCO)CCOC)c1 ZINC000297283300 214390604 /nfs/dbraw/zinc/39/06/04/214390604.db2.gz XMIODMBQCVCTQO-UHFFFAOYSA-N 2 1 358.454 0.707 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410785047 529696631 /nfs/dbraw/zinc/69/66/31/529696631.db2.gz SMCZYEKKYQFZRO-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410785047 529696633 /nfs/dbraw/zinc/69/66/33/529696633.db2.gz SMCZYEKKYQFZRO-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000410923272 529801131 /nfs/dbraw/zinc/80/11/31/529801131.db2.gz BKCCZNFGPVMMOX-YLJYHZDGSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719229 530064762 /nfs/dbraw/zinc/06/47/62/530064762.db2.gz NPMHWBUTSIHGQI-PXNSSMCTSA-N 2 1 362.518 0.875 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CC[C@H]21 ZINC000410720136 530058288 /nfs/dbraw/zinc/05/82/88/530058288.db2.gz QITMTGRJBMZODC-RCCFBDPRSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000265422000 210131535 /nfs/dbraw/zinc/13/15/35/210131535.db2.gz WVVMWZLTQLOUGG-INIZCTEOSA-N 2 1 360.506 0.986 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000331482551 215003479 /nfs/dbraw/zinc/00/34/79/215003479.db2.gz BAJVAFQRKZRTRJ-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000331482549 215003974 /nfs/dbraw/zinc/00/39/74/215003974.db2.gz BAJVAFQRKZRTRJ-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1C ZINC000331473063 215001949 /nfs/dbraw/zinc/00/19/49/215001949.db2.gz WIVHBSNYLSZLSY-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1C ZINC000331473063 215001952 /nfs/dbraw/zinc/00/19/52/215001952.db2.gz WIVHBSNYLSZLSY-YYIAUSFCSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000331566860 215015554 /nfs/dbraw/zinc/01/55/54/215015554.db2.gz LAGHIUMBAFRHFW-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331566860 215015557 /nfs/dbraw/zinc/01/55/57/215015557.db2.gz LAGHIUMBAFRHFW-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000331566860 215015559 /nfs/dbraw/zinc/01/55/59/215015559.db2.gz LAGHIUMBAFRHFW-IKGGRYGDSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000331620149 215023536 /nfs/dbraw/zinc/02/35/36/215023536.db2.gz FFAFUEIXICXYAN-GVDBMIGSSA-N 2 1 350.507 0.953 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000331620168 215023868 /nfs/dbraw/zinc/02/38/68/215023868.db2.gz FFAFUEIXICXYAN-YESZJQIVSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C[C@@H]1[NH3+] ZINC000331776553 215046163 /nfs/dbraw/zinc/04/61/63/215046163.db2.gz JSYHUXABEQVAHF-TWMKSMIVSA-N 2 1 350.507 0.905 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332063306 215086531 /nfs/dbraw/zinc/08/65/31/215086531.db2.gz QMDJBWMXLZKKBA-JKSUJKDBSA-N 2 1 359.474 0.638 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332063306 215086534 /nfs/dbraw/zinc/08/65/34/215086534.db2.gz QMDJBWMXLZKKBA-JKSUJKDBSA-N 2 1 359.474 0.638 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000332076281 215087640 /nfs/dbraw/zinc/08/76/40/215087640.db2.gz ZEUDVFAAYIOJFV-RDJZCZTQSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000264991061 210033494 /nfs/dbraw/zinc/03/34/94/210033494.db2.gz BPMVBDQEZSDYSI-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000332134075 215099188 /nfs/dbraw/zinc/09/91/88/215099188.db2.gz ITLQRZOZVXLFNJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000332134075 215099192 /nfs/dbraw/zinc/09/91/92/215099192.db2.gz ITLQRZOZVXLFNJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000332134075 215099196 /nfs/dbraw/zinc/09/91/96/215099196.db2.gz ITLQRZOZVXLFNJ-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000332134077 215099747 /nfs/dbraw/zinc/09/97/47/215099747.db2.gz ITLQRZOZVXLFNJ-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000332134077 215099749 /nfs/dbraw/zinc/09/97/49/215099749.db2.gz ITLQRZOZVXLFNJ-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000332134077 215099753 /nfs/dbraw/zinc/09/97/53/215099753.db2.gz ITLQRZOZVXLFNJ-GVDBMIGSSA-N 2 1 350.507 0.918 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)[N@H+](C)C1 ZINC000332305350 215127295 /nfs/dbraw/zinc/12/72/95/215127295.db2.gz RFLOTQZXCGFHLQ-OKYOBFRVSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)[N@@H+](C)C1 ZINC000332305350 215127297 /nfs/dbraw/zinc/12/72/97/215127297.db2.gz RFLOTQZXCGFHLQ-OKYOBFRVSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[NH+](C)C1 ZINC000332305350 215127299 /nfs/dbraw/zinc/12/72/99/215127299.db2.gz RFLOTQZXCGFHLQ-OKYOBFRVSA-N 2 1 361.486 0.705 20 0 FCADMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[NH+](C)C1 ZINC000332305350 215127301 /nfs/dbraw/zinc/12/73/01/215127301.db2.gz RFLOTQZXCGFHLQ-OKYOBFRVSA-N 2 1 361.486 0.705 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332353238 215135783 /nfs/dbraw/zinc/13/57/83/215135783.db2.gz BLPYLPVOIJEXPY-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1C ZINC000332353238 215135787 /nfs/dbraw/zinc/13/57/87/215135787.db2.gz BLPYLPVOIJEXPY-YQQAZPJKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@H]1C ZINC000332383665 215140891 /nfs/dbraw/zinc/14/08/91/215140891.db2.gz HZCAIPFZDJZAJQ-SRABZTEZSA-N 2 1 366.506 0.282 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[C@H]1C ZINC000332383665 215140896 /nfs/dbraw/zinc/14/08/96/215140896.db2.gz HZCAIPFZDJZAJQ-SRABZTEZSA-N 2 1 366.506 0.282 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000332408828 215146496 /nfs/dbraw/zinc/14/64/96/215146496.db2.gz QEXOBDJHBJRWDH-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000332456923 215154994 /nfs/dbraw/zinc/15/49/94/215154994.db2.gz NZGHSIILHQRUHM-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000332456923 215154996 /nfs/dbraw/zinc/15/49/96/215154996.db2.gz NZGHSIILHQRUHM-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333128702 215239409 /nfs/dbraw/zinc/23/94/09/215239409.db2.gz BJWNYUUGYJRHIY-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333128702 215239411 /nfs/dbraw/zinc/23/94/11/215239411.db2.gz BJWNYUUGYJRHIY-JKSUJKDBSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000333139922 215240790 /nfs/dbraw/zinc/24/07/90/215240790.db2.gz CXEMCHHLJNBSHI-BRWVUGGUSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000333140423 215240988 /nfs/dbraw/zinc/24/09/88/215240988.db2.gz CXEMCHHLJNBSHI-GVDBMIGSSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333300819 215261124 /nfs/dbraw/zinc/26/11/24/215261124.db2.gz IVLJLJJCXNISNC-XLIONFOSSA-N 2 1 372.517 0.987 20 0 FCADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000333362314 215269900 /nfs/dbraw/zinc/26/99/00/215269900.db2.gz CZKXLJBJAIHDOL-OAGGEKHMSA-N 2 1 352.479 0.086 20 0 FCADMP C[NH+]1CCC(CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333481806 215287504 /nfs/dbraw/zinc/28/75/04/215287504.db2.gz BNLPXSIRXAZUNI-INIZCTEOSA-N 2 1 351.495 0.324 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000333594564 215299511 /nfs/dbraw/zinc/29/95/11/215299511.db2.gz VQGIWXFKFAHIHB-JZXOWHBKSA-N 2 1 368.522 0.896 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000333664307 215305724 /nfs/dbraw/zinc/30/57/24/215305724.db2.gz BMTINEUZPAHQIN-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000333664307 215305726 /nfs/dbraw/zinc/30/57/26/215305726.db2.gz BMTINEUZPAHQIN-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000333664307 215305728 /nfs/dbraw/zinc/30/57/28/215305728.db2.gz BMTINEUZPAHQIN-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP COCC1(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000333758517 215316906 /nfs/dbraw/zinc/31/69/06/215316906.db2.gz AETXSIUCFHEEHD-HOTGVXAUSA-N 2 1 354.495 0.365 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333851112 215323870 /nfs/dbraw/zinc/32/38/70/215323870.db2.gz QAXZMHOTJSJXHK-VUNQQRPYSA-N 2 1 363.506 0.511 20 0 FCADMP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CC(=O)Nc2ccccc21 ZINC000333846646 215324345 /nfs/dbraw/zinc/32/43/45/215324345.db2.gz MMSFSPVJDJGSHK-PBHICJAKSA-N 2 1 370.453 0.672 20 0 FCADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CC(=O)Nc2ccccc21 ZINC000333846646 215324348 /nfs/dbraw/zinc/32/43/48/215324348.db2.gz MMSFSPVJDJGSHK-PBHICJAKSA-N 2 1 370.453 0.672 20 0 FCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333874087 215327070 /nfs/dbraw/zinc/32/70/70/215327070.db2.gz PZEYEFWYYFUIIF-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333874087 215327073 /nfs/dbraw/zinc/32/70/73/215327073.db2.gz PZEYEFWYYFUIIF-QGZVFWFLSA-N 2 1 368.522 0.851 20 0 FCADMP C[NH+]1CCC(C)(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333875203 215327807 /nfs/dbraw/zinc/32/78/07/215327807.db2.gz QHNPKSDSFADNRH-UHFFFAOYSA-N 2 1 368.522 0.899 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333902305 215329967 /nfs/dbraw/zinc/32/99/67/215329967.db2.gz ZLRGVJDBQNUDLM-GOEBONIOSA-N 2 1 351.495 0.513 20 0 FCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333950676 215332819 /nfs/dbraw/zinc/33/28/19/215332819.db2.gz YJOUVAQMWIHEOQ-INIZCTEOSA-N 2 1 363.531 0.795 20 0 FCADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333950676 215332822 /nfs/dbraw/zinc/33/28/22/215332822.db2.gz YJOUVAQMWIHEOQ-INIZCTEOSA-N 2 1 363.531 0.795 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000333977566 215334262 /nfs/dbraw/zinc/33/42/62/215334262.db2.gz ZGRWIRRZCHFGIZ-SFHVURJKSA-N 2 1 351.495 0.278 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000333977566 215334266 /nfs/dbraw/zinc/33/42/66/215334266.db2.gz ZGRWIRRZCHFGIZ-SFHVURJKSA-N 2 1 351.495 0.278 20 0 FCADMP Cc1nccn1CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285773224 213393471 /nfs/dbraw/zinc/39/34/71/213393471.db2.gz FDLBMYYIZQEUJL-WBVHZDCISA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285773224 213393475 /nfs/dbraw/zinc/39/34/75/213393475.db2.gz FDLBMYYIZQEUJL-WBVHZDCISA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285773224 213393478 /nfs/dbraw/zinc/39/34/78/213393478.db2.gz FDLBMYYIZQEUJL-WBVHZDCISA-N 2 1 359.474 0.783 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000360977256 215377384 /nfs/dbraw/zinc/37/73/84/215377384.db2.gz NCAPVXXAKXHXMZ-KZNAEPCWSA-N 2 1 368.522 0.584 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccco1 ZINC000284852170 213234792 /nfs/dbraw/zinc/23/47/92/213234792.db2.gz FBRFIUONQIPLSL-HNNXBMFYSA-N 2 1 350.463 0.989 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000284749263 213211667 /nfs/dbraw/zinc/21/16/67/213211667.db2.gz CHKILXSCEUIODS-OAHLLOKOSA-N 2 1 373.501 0.761 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000284395813 213129509 /nfs/dbraw/zinc/12/95/09/213129509.db2.gz ANYMRVYUFGWNNY-UHFFFAOYSA-N 2 1 360.458 0.970 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000284395813 213129513 /nfs/dbraw/zinc/12/95/13/213129513.db2.gz ANYMRVYUFGWNNY-UHFFFAOYSA-N 2 1 360.458 0.970 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356339 213118908 /nfs/dbraw/zinc/11/89/08/213118908.db2.gz AYAWPXQNGZFPAG-ZIAGYGMSSA-N 2 1 364.494 0.339 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000284356339 213118911 /nfs/dbraw/zinc/11/89/11/213118911.db2.gz AYAWPXQNGZFPAG-ZIAGYGMSSA-N 2 1 364.494 0.339 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000284050280 213063042 /nfs/dbraw/zinc/06/30/42/213063042.db2.gz KFFSROSDLYCUJN-ROUUACIJSA-N 2 1 358.486 0.917 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000283913324 213033179 /nfs/dbraw/zinc/03/31/79/213033179.db2.gz DIGLGYXMZFUQLI-KRWDZBQOSA-N 2 1 367.519 0.594 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000283880633 213025214 /nfs/dbraw/zinc/02/52/14/213025214.db2.gz CBNHTBOWABXKRD-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000283880633 213025217 /nfs/dbraw/zinc/02/52/17/213025217.db2.gz CBNHTBOWABXKRD-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+][C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000262387530 209580528 /nfs/dbraw/zinc/58/05/28/209580528.db2.gz NVTBOUJCJLCIPM-GOSISDBHSA-N 2 1 359.474 0.980 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000413144270 237285693 /nfs/dbraw/zinc/28/56/93/237285693.db2.gz XPFPVHGOGGGFKI-SJORKVTESA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000413144270 237285701 /nfs/dbraw/zinc/28/57/01/237285701.db2.gz XPFPVHGOGGGFKI-SJORKVTESA-N 2 1 354.495 0.602 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)cn2)CC1 ZINC000367472547 216127861 /nfs/dbraw/zinc/12/78/61/216127861.db2.gz OKRKIZDXKLZOKI-IBGZPJMESA-N 2 1 373.549 0.440 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000367472547 216127865 /nfs/dbraw/zinc/12/78/65/216127865.db2.gz OKRKIZDXKLZOKI-IBGZPJMESA-N 2 1 373.549 0.440 20 0 FCADMP C[NH+](C)CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000368290465 216227832 /nfs/dbraw/zinc/22/78/32/216227832.db2.gz NSXQBWHGBNRZHN-HUUCEWRRSA-N 2 1 368.503 0.728 20 0 FCADMP C[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000237168750 209348053 /nfs/dbraw/zinc/34/80/53/209348053.db2.gz IGXPSSWBEKIJIY-UHFFFAOYSA-N 2 1 353.488 0.891 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000236831911 209344837 /nfs/dbraw/zinc/34/48/37/209344837.db2.gz IHTNYLZSMHWOSA-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000194954860 209329876 /nfs/dbraw/zinc/32/98/76/209329876.db2.gz XMSFNOGENADONR-VVLHAWIVSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000194954860 209329880 /nfs/dbraw/zinc/32/98/80/209329880.db2.gz XMSFNOGENADONR-VVLHAWIVSA-N 2 1 356.511 0.846 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368575582 216265757 /nfs/dbraw/zinc/26/57/57/216265757.db2.gz IWUYONXUNBYQQN-SQNIBIBYSA-N 2 1 350.507 0.260 20 0 FCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050423 216340289 /nfs/dbraw/zinc/34/02/89/216340289.db2.gz GZXBNKGZYAPORT-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050423 216340292 /nfs/dbraw/zinc/34/02/92/216340292.db2.gz GZXBNKGZYAPORT-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369050423 216340295 /nfs/dbraw/zinc/34/02/95/216340295.db2.gz GZXBNKGZYAPORT-IAGOWNOFSA-N 2 1 353.511 0.175 20 0 FCADMP Cc1ccccc1CN1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000190856361 209279866 /nfs/dbraw/zinc/27/98/66/209279866.db2.gz BGFCBJVDFLAIRV-ROUUACIJSA-N 2 1 363.502 0.703 20 0 FCADMP Cc1ccccc1CN1CCN(C(=O)CN(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000190856361 209279867 /nfs/dbraw/zinc/27/98/67/209279867.db2.gz BGFCBJVDFLAIRV-ROUUACIJSA-N 2 1 363.502 0.703 20 0 FCADMP C[C@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369266813 216373946 /nfs/dbraw/zinc/37/39/46/216373946.db2.gz OHJWWHJNJRUPHC-LSDHHAIUSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369266813 216373948 /nfs/dbraw/zinc/37/39/48/216373948.db2.gz OHJWWHJNJRUPHC-LSDHHAIUSA-N 2 1 351.495 0.275 20 0 FCADMP C[C@H]([C@H](C)NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)N1CCOCC1 ZINC000188549826 209232008 /nfs/dbraw/zinc/23/20/08/209232008.db2.gz QXSUGCIPVYJBLP-OWCLPIDISA-N 2 1 356.511 0.582 20 0 FCADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188325859 209227886 /nfs/dbraw/zinc/22/78/86/209227886.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 1 363.502 0.248 20 0 FCADMP CN(C[C@H](O)CN1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188325859 209227892 /nfs/dbraw/zinc/22/78/92/209227892.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 1 363.502 0.248 20 0 FCADMP CN(C[C@H](O)CN1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188325859 209227896 /nfs/dbraw/zinc/22/78/96/209227896.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 1 363.502 0.248 20 0 FCADMP C[C@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000188159575 209224290 /nfs/dbraw/zinc/22/42/90/209224290.db2.gz LEQQCARFWIXGKN-WIYYLYMNSA-N 2 1 374.529 0.718 20 0 FCADMP C[C@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000188159575 209224293 /nfs/dbraw/zinc/22/42/93/209224293.db2.gz LEQQCARFWIXGKN-WIYYLYMNSA-N 2 1 374.529 0.718 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2c(c1)nnn2C ZINC000185734276 209182214 /nfs/dbraw/zinc/18/22/14/209182214.db2.gz FUFRZXLEEPICSZ-HNNXBMFYSA-N 2 1 359.478 0.851 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931435155 674114943 /nfs/dbraw/zinc/11/49/43/674114943.db2.gz HSRZTDVLZFAROW-OWCLPIDISA-N 2 1 352.479 0.559 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000931435155 674114945 /nfs/dbraw/zinc/11/49/45/674114945.db2.gz HSRZTDVLZFAROW-OWCLPIDISA-N 2 1 352.479 0.559 20 0 FCADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000931435155 674114947 /nfs/dbraw/zinc/11/49/47/674114947.db2.gz HSRZTDVLZFAROW-OWCLPIDISA-N 2 1 352.479 0.559 20 0 FCADMP COC(=O)C1(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCCCC1 ZINC000931480864 674116892 /nfs/dbraw/zinc/11/68/92/674116892.db2.gz FRWDRGRAZGZVHI-UHFFFAOYSA-N 2 1 355.479 0.367 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000415077141 245344034 /nfs/dbraw/zinc/34/40/34/245344034.db2.gz DXKJWWIYMPLFOC-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000415077141 245344037 /nfs/dbraw/zinc/34/40/37/245344037.db2.gz DXKJWWIYMPLFOC-AWEZNQCLSA-N 2 1 374.485 0.574 20 0 FCADMP C[C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[NH2+]1 ZINC000415116046 245347827 /nfs/dbraw/zinc/34/78/27/245347827.db2.gz HJMPFBYHUFAXGH-STQMWFEESA-N 2 1 370.475 0.073 20 0 FCADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000415280189 245376858 /nfs/dbraw/zinc/37/68/58/245376858.db2.gz ZNGUBPLSPVIWNC-INIZCTEOSA-N 2 1 360.458 0.714 20 0 FCADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000415280189 245376862 /nfs/dbraw/zinc/37/68/62/245376862.db2.gz ZNGUBPLSPVIWNC-INIZCTEOSA-N 2 1 360.458 0.714 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442700 217019205 /nfs/dbraw/zinc/01/92/05/217019205.db2.gz VZLWIJIIRXTAKF-ZSZQSSIHSA-N 2 1 352.523 0.804 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442700 217019206 /nfs/dbraw/zinc/01/92/06/217019206.db2.gz VZLWIJIIRXTAKF-ZSZQSSIHSA-N 2 1 352.523 0.804 20 0 FCADMP COCCO[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000374617586 217149592 /nfs/dbraw/zinc/14/95/92/217149592.db2.gz HVFWNLSUQYIGGE-WMZOPIPTSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330135 209144417 /nfs/dbraw/zinc/14/44/17/209144417.db2.gz CUIQGDJMXHUMGG-MISYRCLQSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)N1CC[NH+](C)CC1 ZINC000183330135 209144420 /nfs/dbraw/zinc/14/44/20/209144420.db2.gz CUIQGDJMXHUMGG-MISYRCLQSA-N 2 1 374.529 0.622 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375236600 217238196 /nfs/dbraw/zinc/23/81/96/217238196.db2.gz HAEJIYSPZLXGLS-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP CC1CC[NH+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000416874257 245650170 /nfs/dbraw/zinc/65/01/70/245650170.db2.gz PCGVYIINZWPKPH-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000376081656 217354630 /nfs/dbraw/zinc/35/46/30/217354630.db2.gz MRWYEKFHOHJQES-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000376081656 217354631 /nfs/dbraw/zinc/35/46/31/217354631.db2.gz MRWYEKFHOHJQES-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000376081656 217354633 /nfs/dbraw/zinc/35/46/33/217354633.db2.gz MRWYEKFHOHJQES-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000419050698 245959130 /nfs/dbraw/zinc/95/91/30/245959130.db2.gz YUYCRGTWOQHONG-BGTYHANMSA-N 2 1 356.470 0.758 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419154539 246020407 /nfs/dbraw/zinc/02/04/07/246020407.db2.gz RPTNMOQORWFSHB-AWEZNQCLSA-N 2 1 352.504 0.754 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419158813 246024301 /nfs/dbraw/zinc/02/43/01/246024301.db2.gz YIZOERTWGDQOKX-ZIAGYGMSSA-N 2 1 352.504 0.930 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)[nH+]1 ZINC000419132366 246006600 /nfs/dbraw/zinc/00/66/00/246006600.db2.gz HNOJUYPTBIWHHT-INIZCTEOSA-N 2 1 361.490 0.965 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132505 246006990 /nfs/dbraw/zinc/00/69/90/246006990.db2.gz BOGXWHZZSLRYMF-WBVHZDCISA-N 2 1 362.474 0.247 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136473 246010444 /nfs/dbraw/zinc/01/04/44/246010444.db2.gz PENJOZWZCMELJB-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)[nH+]1 ZINC000419136131 246011227 /nfs/dbraw/zinc/01/12/27/246011227.db2.gz ONWWYXHZZCXOIH-HOCLYGCPSA-N 2 1 373.501 0.918 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144908 246013103 /nfs/dbraw/zinc/01/31/03/246013103.db2.gz GZUPEWFPOSLERJ-GJZGRUSLSA-N 2 1 364.515 0.897 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000419146245 246014741 /nfs/dbraw/zinc/01/47/41/246014741.db2.gz ICIVWGVXWPOFHZ-IJEWVQPXSA-N 2 1 364.515 0.882 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000419164620 246028505 /nfs/dbraw/zinc/02/85/05/246028505.db2.gz AECWBEQZDVGNFU-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419168798 246030190 /nfs/dbraw/zinc/03/01/90/246030190.db2.gz QSJLPBFCZQIQHB-HNNXBMFYSA-N 2 1 370.444 0.969 20 0 FCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419168798 246030193 /nfs/dbraw/zinc/03/01/93/246030193.db2.gz QSJLPBFCZQIQHB-HNNXBMFYSA-N 2 1 370.444 0.969 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000419171373 246031969 /nfs/dbraw/zinc/03/19/69/246031969.db2.gz XNYPSIVZNBFEDF-QZTJIDSGSA-N 2 1 374.485 0.247 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170850 246032281 /nfs/dbraw/zinc/03/22/81/246032281.db2.gz OBHVGHOQWOHZOD-WMZOPIPTSA-N 2 1 358.486 0.521 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172508 246032473 /nfs/dbraw/zinc/03/24/73/246032473.db2.gz ZCOIUJSVNAZQQG-RDJZCZTQSA-N 2 1 362.474 0.199 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170848 246033700 /nfs/dbraw/zinc/03/37/00/246033700.db2.gz OBHVGHOQWOHZOD-FUHWJXTLSA-N 2 1 358.486 0.521 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419180459 246038913 /nfs/dbraw/zinc/03/89/13/246038913.db2.gz JWTJSKXDIJZBDE-INIZCTEOSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000419187715 246040719 /nfs/dbraw/zinc/04/07/19/246040719.db2.gz FVSTYNBXBFGMNN-NXHRZFHOSA-N 2 1 358.486 0.834 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419185223 246041967 /nfs/dbraw/zinc/04/19/67/246041967.db2.gz OMWJAPRAEPEUDP-IRXDYDNUSA-N 2 1 366.506 0.394 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000419186936 246042291 /nfs/dbraw/zinc/04/22/91/246042291.db2.gz FLFHWUXTGRZAOR-NXHRZFHOSA-N 2 1 358.486 0.691 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419188383 246043552 /nfs/dbraw/zinc/04/35/52/246043552.db2.gz SNTOXTHQGNMAHT-JKSUJKDBSA-N 2 1 352.479 0.004 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419188380 246043565 /nfs/dbraw/zinc/04/35/65/246043565.db2.gz SNTOXTHQGNMAHT-CVEARBPZSA-N 2 1 352.479 0.004 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212945 246058958 /nfs/dbraw/zinc/05/89/58/246058958.db2.gz VSBFUARATQCZSX-QWHCGFSZSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212945 246058961 /nfs/dbraw/zinc/05/89/61/246058961.db2.gz VSBFUARATQCZSX-QWHCGFSZSA-N 2 1 366.428 0.963 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419215005 246059073 /nfs/dbraw/zinc/05/90/73/246059073.db2.gz NQICFDNKDCQSCI-QGZVFWFLSA-N 2 1 362.474 0.248 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213450 246059361 /nfs/dbraw/zinc/05/93/61/246059361.db2.gz WKMGUPIKXMUNMR-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000419213450 246059363 /nfs/dbraw/zinc/05/93/63/246059363.db2.gz WKMGUPIKXMUNMR-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419213603 246059881 /nfs/dbraw/zinc/05/98/81/246059881.db2.gz LQLHUOGNLBZGHE-HDICACEKSA-N 2 1 358.486 0.821 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000419216206 246060194 /nfs/dbraw/zinc/06/01/94/246060194.db2.gz ZUILCZXEGXMBCI-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)CCC(F)(F)F ZINC000419215765 246060340 /nfs/dbraw/zinc/06/03/40/246060340.db2.gz ZGAMLHOTASNJHU-HNNXBMFYSA-N 2 1 366.428 0.883 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)CCC(F)(F)F ZINC000419215765 246060344 /nfs/dbraw/zinc/06/03/44/246060344.db2.gz ZGAMLHOTASNJHU-HNNXBMFYSA-N 2 1 366.428 0.883 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221878 246061727 /nfs/dbraw/zinc/06/17/27/246061727.db2.gz AWMUEZXXZWEKRR-YSHGAJCASA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419223123 246061975 /nfs/dbraw/zinc/06/19/75/246061975.db2.gz CLCSPKCWMINDTM-PVAVHDDUSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1C[NH3+] ZINC000419224073 246063743 /nfs/dbraw/zinc/06/37/43/246063743.db2.gz FCMSWKJFXIIDPA-OIISXLGYSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225457 246064955 /nfs/dbraw/zinc/06/49/55/246064955.db2.gz HBQNBHJRRBVQDW-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419224764 246064970 /nfs/dbraw/zinc/06/49/70/246064970.db2.gz BZDAISUAXQUWCN-HZPDHXFCSA-N 2 1 358.486 0.617 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419224764 246064972 /nfs/dbraw/zinc/06/49/72/246064972.db2.gz BZDAISUAXQUWCN-HZPDHXFCSA-N 2 1 358.486 0.617 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224207 246065000 /nfs/dbraw/zinc/06/50/00/246065000.db2.gz FKEBZOAVZHZOIB-DZGCQCFKSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224207 246065006 /nfs/dbraw/zinc/06/50/06/246065006.db2.gz FKEBZOAVZHZOIB-DZGCQCFKSA-N 2 1 368.428 0.723 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419226908 246065526 /nfs/dbraw/zinc/06/55/26/246065526.db2.gz FAGJPGAHOIHLFN-KBPBESRZSA-N 2 1 364.515 0.679 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419226908 246065529 /nfs/dbraw/zinc/06/55/29/246065529.db2.gz FAGJPGAHOIHLFN-KBPBESRZSA-N 2 1 364.515 0.679 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419228492 246066588 /nfs/dbraw/zinc/06/65/88/246066588.db2.gz GTCOTBYFMWBQGJ-QAPCUYQASA-N 2 1 374.485 0.044 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419228492 246066593 /nfs/dbraw/zinc/06/65/93/246066593.db2.gz GTCOTBYFMWBQGJ-QAPCUYQASA-N 2 1 374.485 0.044 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CCC(F)(F)F ZINC000419207246 246054204 /nfs/dbraw/zinc/05/42/04/246054204.db2.gz MEBDSMSVIYZOGX-NWDGAFQWSA-N 2 1 352.401 0.763 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CCC(F)(F)F ZINC000419207246 246054207 /nfs/dbraw/zinc/05/42/07/246054207.db2.gz MEBDSMSVIYZOGX-NWDGAFQWSA-N 2 1 352.401 0.763 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419287923 246086984 /nfs/dbraw/zinc/08/69/84/246086984.db2.gz QROBXTSSCVFUKO-DOTOQJQBSA-N 2 1 364.465 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419228597 246069343 /nfs/dbraw/zinc/06/93/43/246069343.db2.gz MLVAIFVONPNJSL-JFIYKMOQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419241624 246075352 /nfs/dbraw/zinc/07/53/52/246075352.db2.gz RXWZPKPPUAWCHR-SMDDNHRTSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419241624 246075358 /nfs/dbraw/zinc/07/53/58/246075358.db2.gz RXWZPKPPUAWCHR-SMDDNHRTSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419249290 246076161 /nfs/dbraw/zinc/07/61/61/246076161.db2.gz YNSQUESOTMLSGR-IIDMSEBBSA-N 2 1 358.486 0.793 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419249290 246076167 /nfs/dbraw/zinc/07/61/67/246076167.db2.gz YNSQUESOTMLSGR-IIDMSEBBSA-N 2 1 358.486 0.793 20 0 FCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419268144 246081913 /nfs/dbraw/zinc/08/19/13/246081913.db2.gz LUPHLMSRGMEKSN-GOSISDBHSA-N 2 1 374.485 0.475 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317674 246098697 /nfs/dbraw/zinc/09/86/97/246098697.db2.gz MZYNYDQBUPMOAC-HUHSQHJXSA-N 2 1 356.470 0.681 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387206 246127631 /nfs/dbraw/zinc/12/76/31/246127631.db2.gz CKVBZQLASFTJNJ-HOCLYGCPSA-N 2 1 364.515 0.431 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387206 246127636 /nfs/dbraw/zinc/12/76/36/246127636.db2.gz CKVBZQLASFTJNJ-HOCLYGCPSA-N 2 1 364.515 0.431 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419351586 246115216 /nfs/dbraw/zinc/11/52/16/246115216.db2.gz HQPHBZWNMUOGPO-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419414466 246147365 /nfs/dbraw/zinc/14/73/65/246147365.db2.gz DWPRSOLQECZCQV-IYBDPMFKSA-N 2 1 352.523 0.929 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000419412430 246147450 /nfs/dbraw/zinc/14/74/50/246147450.db2.gz REFFMTONEOAEOV-ZWKOTPCHSA-N 2 1 358.486 0.793 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000419395755 246133417 /nfs/dbraw/zinc/13/34/17/246133417.db2.gz RFAJJEHPMNVBHK-CEXWTWQISA-N 2 1 370.497 0.747 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000419395755 246133423 /nfs/dbraw/zinc/13/34/23/246133423.db2.gz RFAJJEHPMNVBHK-CEXWTWQISA-N 2 1 370.497 0.747 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419401999 246136323 /nfs/dbraw/zinc/13/63/23/246136323.db2.gz PRBCWOYFWMIEMG-YSHGAJCASA-N 2 1 370.497 0.834 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402357 246138268 /nfs/dbraw/zinc/13/82/68/246138268.db2.gz CHTYJBZIGGTYLC-GDBMZVCRSA-N 2 1 368.522 0.986 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406000 246138416 /nfs/dbraw/zinc/13/84/16/246138416.db2.gz VUNQEGMJVDEZKB-DZGCQCFKSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406000 246138420 /nfs/dbraw/zinc/13/84/20/246138420.db2.gz VUNQEGMJVDEZKB-DZGCQCFKSA-N 2 1 350.488 0.184 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000419406603 246139375 /nfs/dbraw/zinc/13/93/75/246139375.db2.gz JFNINMRVAVWEHA-MAUKXSAKSA-N 2 1 360.502 0.911 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409919 246144837 /nfs/dbraw/zinc/14/48/37/246144837.db2.gz FUQTXVYXILIORA-IAGOWNOFSA-N 2 1 362.474 0.118 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409919 246144843 /nfs/dbraw/zinc/14/48/43/246144843.db2.gz FUQTXVYXILIORA-IAGOWNOFSA-N 2 1 362.474 0.118 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419431258 246158916 /nfs/dbraw/zinc/15/89/16/246158916.db2.gz XAHWIDGLNAJDRY-UHFFFAOYSA-N 2 1 360.502 0.994 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419419427 246151926 /nfs/dbraw/zinc/15/19/26/246151926.db2.gz ZHJWQZWEEQRNDJ-ROUUACIJSA-N 2 1 358.486 0.808 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419525138 246193232 /nfs/dbraw/zinc/19/32/32/246193232.db2.gz CXAWWCJVXFHVJJ-QAPCUYQASA-N 2 1 358.486 0.834 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419503268 246182386 /nfs/dbraw/zinc/18/23/86/246182386.db2.gz CWRBGFVUDHCSGZ-NQIIRXRSSA-N 2 1 370.497 0.837 20 0 FCADMP NCC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419505005 246183536 /nfs/dbraw/zinc/18/35/36/246183536.db2.gz IGSLMEPPROMQMP-AWEZNQCLSA-N 2 1 354.401 0.335 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419505005 246183540 /nfs/dbraw/zinc/18/35/40/246183540.db2.gz IGSLMEPPROMQMP-AWEZNQCLSA-N 2 1 354.401 0.335 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419505005 246183545 /nfs/dbraw/zinc/18/35/45/246183545.db2.gz IGSLMEPPROMQMP-AWEZNQCLSA-N 2 1 354.401 0.335 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507773 246184871 /nfs/dbraw/zinc/18/48/71/246184871.db2.gz PSUXXALGKWJQKW-QAPCUYQASA-N 2 1 373.501 0.167 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419509084 246185276 /nfs/dbraw/zinc/18/52/76/246185276.db2.gz SMGGYJDBJDFSIC-ZWKOTPCHSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510786 246186762 /nfs/dbraw/zinc/18/67/62/246186762.db2.gz UNUJOIWHNUDIAQ-JKSUJKDBSA-N 2 1 361.490 0.119 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513679 246188141 /nfs/dbraw/zinc/18/81/41/246188141.db2.gz MPONIKNFTBVSTQ-HZPDHXFCSA-N 2 1 362.474 0.957 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000419513385 246188707 /nfs/dbraw/zinc/18/87/07/246188707.db2.gz MGFWLSZYEZCUGM-CVEARBPZSA-N 2 1 362.474 0.957 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419524321 246189242 /nfs/dbraw/zinc/18/92/42/246189242.db2.gz BWQUPCZZYQCOJY-NUJGCVRESA-N 2 1 358.486 0.739 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528322 246191466 /nfs/dbraw/zinc/19/14/66/246191466.db2.gz CAMNZOGAIXQJNE-IRXDYDNUSA-N 2 1 362.474 0.290 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525036 246193605 /nfs/dbraw/zinc/19/36/05/246193605.db2.gz CTIZNKPLPLGBDN-JSGCOSHPSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525036 246193611 /nfs/dbraw/zinc/19/36/11/246193611.db2.gz CTIZNKPLPLGBDN-JSGCOSHPSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419533365 246194497 /nfs/dbraw/zinc/19/44/97/246194497.db2.gz OUDJNMKKGPDAPY-JQHSSLGASA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000419704425 246259400 /nfs/dbraw/zinc/25/94/00/246259400.db2.gz GMKHFPLHEUVVAG-YJBOKZPZSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000419757856 246285695 /nfs/dbraw/zinc/28/56/95/246285695.db2.gz JCKOOYAOCHRMLK-CQSZACIVSA-N 2 1 364.465 0.960 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000419758260 246287236 /nfs/dbraw/zinc/28/72/36/246287236.db2.gz JTDAMSFEGNFSMM-CZUORRHYSA-N 2 1 350.438 0.569 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419763540 246289274 /nfs/dbraw/zinc/28/92/74/246289274.db2.gz UOXFIJZMQUPTDE-CQSZACIVSA-N 2 1 350.438 0.490 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000419766913 246292161 /nfs/dbraw/zinc/29/21/61/246292161.db2.gz ZMEVKWAAOBOXNC-ZBFHGGJFSA-N 2 1 364.465 0.817 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419779717 246295106 /nfs/dbraw/zinc/29/51/06/246295106.db2.gz PQMOOVCXRNAJID-MRXNPFEDSA-N 2 1 368.522 0.579 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419835893 246311704 /nfs/dbraw/zinc/31/17/04/246311704.db2.gz VHJKTQLUHNHBGM-HNNXBMFYSA-N 2 1 355.527 0.010 20 0 FCADMP CCN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419837752 246313185 /nfs/dbraw/zinc/31/31/85/246313185.db2.gz DMQJVHGSJVPLQX-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419850376 246320681 /nfs/dbraw/zinc/32/06/81/246320681.db2.gz FZFQNXHNDBGXRY-UXLLHSPISA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419850376 246320684 /nfs/dbraw/zinc/32/06/84/246320684.db2.gz FZFQNXHNDBGXRY-UXLLHSPISA-N 2 1 366.506 0.345 20 0 FCADMP CN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419850719 246321821 /nfs/dbraw/zinc/32/18/21/246321821.db2.gz MJANIJBGIHIUMV-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419852988 246324702 /nfs/dbraw/zinc/32/47/02/246324702.db2.gz AJIDHLOXVHGNCD-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419857963 246328513 /nfs/dbraw/zinc/32/85/13/246328513.db2.gz KRQCERRFUDDPNG-OAHLLOKOSA-N 2 1 364.515 0.551 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862630 246333251 /nfs/dbraw/zinc/33/32/51/246333251.db2.gz MYQSQFNRTPQFBB-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419918588 246367758 /nfs/dbraw/zinc/36/77/58/246367758.db2.gz UOUUJJOGVVEAGB-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000419918588 246367763 /nfs/dbraw/zinc/36/77/63/246367763.db2.gz UOUUJJOGVVEAGB-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000419921624 246371219 /nfs/dbraw/zinc/37/12/19/246371219.db2.gz YGWQLKVTXYPDAY-VQHPVUNQSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419926643 246372225 /nfs/dbraw/zinc/37/22/25/246372225.db2.gz BLTIZDQNKYTQQJ-RYQLBKOJSA-N 2 1 358.486 0.549 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419874966 246342482 /nfs/dbraw/zinc/34/24/82/246342482.db2.gz OAEGYMQVPBSSOP-HXUWFJFHSA-N 2 1 358.486 0.837 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419892118 246353742 /nfs/dbraw/zinc/35/37/42/246353742.db2.gz NWMDINNXLZRMQL-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419890305 246354460 /nfs/dbraw/zinc/35/44/60/246354460.db2.gz LXZFUYCRUSBMPN-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419890305 246354465 /nfs/dbraw/zinc/35/44/65/246354465.db2.gz LXZFUYCRUSBMPN-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896926 246357720 /nfs/dbraw/zinc/35/77/20/246357720.db2.gz YIBDJOGMGYHAOW-ROUUACIJSA-N 2 1 358.486 0.835 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419945034 246381064 /nfs/dbraw/zinc/38/10/64/246381064.db2.gz BWPMGHCGVNXXCN-NVXWUHKLSA-N 2 1 361.490 0.606 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419950826 246382464 /nfs/dbraw/zinc/38/24/64/246382464.db2.gz MWYGQKUWUIWEKT-AWEZNQCLSA-N 2 1 352.504 0.407 20 0 FCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419958314 246389277 /nfs/dbraw/zinc/38/92/77/246389277.db2.gz QDZPXPPYMPSXJL-SOUVJXGZSA-N 2 1 354.495 0.045 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000419977732 246399636 /nfs/dbraw/zinc/39/96/36/246399636.db2.gz NBBFURJOSDDVFI-LSDHHAIUSA-N 2 1 354.495 0.188 20 0 FCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420000221 246410096 /nfs/dbraw/zinc/41/00/96/246410096.db2.gz NZUGWUWQKWHIKS-LJQANCHMSA-N 2 1 372.513 0.879 20 0 FCADMP FC(F)(F)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380589 247014760 /nfs/dbraw/zinc/01/47/60/247014760.db2.gz HENLRVUVWVQMCY-XGUBFFRZSA-N 2 1 350.429 0.569 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423380589 247014764 /nfs/dbraw/zinc/01/47/64/247014764.db2.gz HENLRVUVWVQMCY-XGUBFFRZSA-N 3 1 350.429 0.569 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000423379404 247015895 /nfs/dbraw/zinc/01/58/95/247015895.db2.gz LVIOAMFVYSWQOC-ULQDDVLXSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[N@H+]1C ZINC000423379404 247015900 /nfs/dbraw/zinc/01/59/00/247015900.db2.gz LVIOAMFVYSWQOC-ULQDDVLXSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000423388812 247019155 /nfs/dbraw/zinc/01/91/55/247019155.db2.gz IZEWIXNLMSSMLN-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)COC1CC[NH2+]CC1 ZINC000423418409 247023574 /nfs/dbraw/zinc/02/35/74/247023574.db2.gz HVGNOUUAHUVXIA-INIZCTEOSA-N 2 1 361.490 0.477 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423531558 247044916 /nfs/dbraw/zinc/04/49/16/247044916.db2.gz YCCQFDRMJPXJKI-DOTOQJQBSA-N 2 1 362.449 0.631 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000423590877 247065432 /nfs/dbraw/zinc/06/54/32/247065432.db2.gz JMNYKEFPLIZZQV-BZUAXINKSA-N 2 1 352.479 0.086 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423622584 247078932 /nfs/dbraw/zinc/07/89/32/247078932.db2.gz ZEPDRGAVZRBJIZ-OAHLLOKOSA-N 2 1 364.515 0.645 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423653427 247095801 /nfs/dbraw/zinc/09/58/01/247095801.db2.gz ZSLZAOBYFKGWKX-UTKZUKDTSA-N 2 1 370.497 0.931 20 0 FCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423656018 247096592 /nfs/dbraw/zinc/09/65/92/247096592.db2.gz TWHIFYRGHJYPRI-LULLPPNCSA-N 2 1 370.497 0.773 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000423858944 247145655 /nfs/dbraw/zinc/14/56/55/247145655.db2.gz FILCLDXVKGMXGI-HNNXBMFYSA-N 3 1 354.495 0.286 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000423858944 247145663 /nfs/dbraw/zinc/14/56/63/247145663.db2.gz FILCLDXVKGMXGI-HNNXBMFYSA-N 3 1 354.495 0.286 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000423930428 247153626 /nfs/dbraw/zinc/15/36/26/247153626.db2.gz WBDDHOLNLGIMQV-RDBSUJKOSA-N 2 1 350.442 0.527 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000423703276 247116024 /nfs/dbraw/zinc/11/60/24/247116024.db2.gz BRVUCRQRSLYWON-QRQLOZEOSA-N 2 1 372.513 0.815 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000423703276 247116028 /nfs/dbraw/zinc/11/60/28/247116028.db2.gz BRVUCRQRSLYWON-QRQLOZEOSA-N 2 1 372.513 0.815 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423703858 247118824 /nfs/dbraw/zinc/11/88/24/247118824.db2.gz LBJLCUYQAZNCNX-RTBURBONSA-N 2 1 372.513 0.830 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000423703858 247118829 /nfs/dbraw/zinc/11/88/29/247118829.db2.gz LBJLCUYQAZNCNX-RTBURBONSA-N 2 1 372.513 0.830 20 0 FCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423715162 247121749 /nfs/dbraw/zinc/12/17/49/247121749.db2.gz UAKLWAFHXPVYRY-MSOLQXFVSA-N 2 1 356.470 0.194 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423725778 247127958 /nfs/dbraw/zinc/12/79/58/247127958.db2.gz SVKCDDYXORBNJX-NXHRZFHOSA-N 2 1 358.486 0.773 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000423737800 247132652 /nfs/dbraw/zinc/13/26/52/247132652.db2.gz PXXWNAHEQUBZMO-CVEARBPZSA-N 2 1 368.522 0.389 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000424007315 247160249 /nfs/dbraw/zinc/16/02/49/247160249.db2.gz VFNLWMGITVLANR-BRWVUGGUSA-N 2 1 366.506 0.143 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423749490 247136673 /nfs/dbraw/zinc/13/66/73/247136673.db2.gz RUOAGNCVJLDZAX-OAGGEKHMSA-N 2 1 355.479 0.759 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424163888 247174103 /nfs/dbraw/zinc/17/41/03/247174103.db2.gz YFUJMSFAAGLZEA-ZIAGYGMSSA-N 2 1 362.478 0.194 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424162536 247174494 /nfs/dbraw/zinc/17/44/94/247174494.db2.gz XCHATEYHVKXWNK-INIZCTEOSA-N 2 1 362.522 0.880 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1C[C@@H](C)O ZINC000424149832 247174725 /nfs/dbraw/zinc/17/47/25/247174725.db2.gz XMULJPGLCCLLKC-RBSFLKMASA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+]1C[C@@H](C)O ZINC000424149832 247174728 /nfs/dbraw/zinc/17/47/28/247174728.db2.gz XMULJPGLCCLLKC-RBSFLKMASA-N 2 1 350.467 0.120 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424225801 247179616 /nfs/dbraw/zinc/17/96/16/247179616.db2.gz NMSZZKQRROGCSQ-CENPHQPOSA-N 2 1 363.506 0.807 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424225801 247179619 /nfs/dbraw/zinc/17/96/19/247179619.db2.gz NMSZZKQRROGCSQ-CENPHQPOSA-N 2 1 363.506 0.807 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000424538642 247254734 /nfs/dbraw/zinc/25/47/34/247254734.db2.gz DHCQEMQSBCSMSN-INIZCTEOSA-N 2 1 368.522 0.579 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536867 247254969 /nfs/dbraw/zinc/25/49/69/247254969.db2.gz BRMXRDVJXFICFJ-YDZRNGNQSA-N 2 1 370.497 0.963 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424437058 247215988 /nfs/dbraw/zinc/21/59/88/247215988.db2.gz IOCGXRYLLFPTAK-UHFFFAOYSA-N 2 1 361.490 0.536 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000424535313 247256014 /nfs/dbraw/zinc/25/60/14/247256014.db2.gz ACPVGSSBHIFFGA-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425408302 247336502 /nfs/dbraw/zinc/33/65/02/247336502.db2.gz WXLKSTNFGLDDHW-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425408302 247336506 /nfs/dbraw/zinc/33/65/06/247336506.db2.gz WXLKSTNFGLDDHW-MRXNPFEDSA-N 2 1 368.522 0.356 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425409673 247337826 /nfs/dbraw/zinc/33/78/26/247337826.db2.gz YVHAUSFVVISBEA-JKSUJKDBSA-N 2 1 366.506 0.108 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425409673 247337829 /nfs/dbraw/zinc/33/78/29/247337829.db2.gz YVHAUSFVVISBEA-JKSUJKDBSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484014 248041306 /nfs/dbraw/zinc/04/13/06/248041306.db2.gz BQRAITRORQXGJR-HNNXBMFYSA-N 2 1 351.499 0.592 20 0 FCADMP CC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435628881 248005593 /nfs/dbraw/zinc/00/55/93/248005593.db2.gz WDIJFNBUEWHGPR-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP CC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435628881 248005596 /nfs/dbraw/zinc/00/55/96/248005596.db2.gz WDIJFNBUEWHGPR-INIZCTEOSA-N 2 1 362.474 0.631 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000436053242 248028892 /nfs/dbraw/zinc/02/88/92/248028892.db2.gz PGYCAGDMXDYSBM-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000436053242 248028895 /nfs/dbraw/zinc/02/88/95/248028895.db2.gz PGYCAGDMXDYSBM-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])sc2n1 ZINC000436059756 248031290 /nfs/dbraw/zinc/03/12/90/248031290.db2.gz PEASDRWQFYVQQR-LBPRGKRZSA-N 2 1 364.475 0.279 20 0 FCADMP Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])sc2n1 ZINC000436059756 248031292 /nfs/dbraw/zinc/03/12/92/248031292.db2.gz PEASDRWQFYVQQR-LBPRGKRZSA-N 2 1 364.475 0.279 20 0 FCADMP Cc1cccn2c(=O)cc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])nc12 ZINC000436061134 248031495 /nfs/dbraw/zinc/03/14/95/248031495.db2.gz GQBFRSGLWUQARF-INIZCTEOSA-N 2 1 357.458 0.822 20 0 FCADMP Cc1cccn2c(=O)cc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])nc12 ZINC000436061134 248031498 /nfs/dbraw/zinc/03/14/98/248031498.db2.gz GQBFRSGLWUQARF-INIZCTEOSA-N 2 1 357.458 0.822 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758718 248295957 /nfs/dbraw/zinc/29/59/57/248295957.db2.gz BOLNDVONTVEGNY-CHWSQXEVSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758718 248295959 /nfs/dbraw/zinc/29/59/59/248295959.db2.gz BOLNDVONTVEGNY-CHWSQXEVSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771851 248296730 /nfs/dbraw/zinc/29/67/30/248296730.db2.gz UNNRKVGBGSDXJG-SJLPKXTDSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000442771851 248296733 /nfs/dbraw/zinc/29/67/33/248296733.db2.gz UNNRKVGBGSDXJG-SJLPKXTDSA-N 2 1 372.513 0.935 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000443633484 248333454 /nfs/dbraw/zinc/33/34/54/248333454.db2.gz QBCWTVMJZBKEIT-IKGGRYGDSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000443633484 248333458 /nfs/dbraw/zinc/33/34/58/248333458.db2.gz QBCWTVMJZBKEIT-IKGGRYGDSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000444353839 248355716 /nfs/dbraw/zinc/35/57/16/248355716.db2.gz RXYNTKJNVTXUPE-YJBOKZPZSA-N 2 1 353.507 0.933 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000445083551 248372975 /nfs/dbraw/zinc/37/29/75/248372975.db2.gz ADIAIOUGSIOAOR-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000445083551 248372980 /nfs/dbraw/zinc/37/29/80/248372980.db2.gz ADIAIOUGSIOAOR-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452780740 249331634 /nfs/dbraw/zinc/33/16/34/249331634.db2.gz HRASZLZJEOYNPO-QGZVFWFLSA-N 2 1 353.507 0.985 20 0 FCADMP Cc1cc(C)n2c(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cnc2n1 ZINC000470023245 250021162 /nfs/dbraw/zinc/02/11/62/250021162.db2.gz YHTYYGPCVBCJKN-INIZCTEOSA-N 2 1 356.474 0.990 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000472109963 250131178 /nfs/dbraw/zinc/13/11/78/250131178.db2.gz FZSJSQZLOXIVRJ-UHFFFAOYSA-N 2 1 355.527 0.960 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000472279829 250142544 /nfs/dbraw/zinc/14/25/44/250142544.db2.gz VPFCYECPCBLODO-ROUUACIJSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000473258142 250212844 /nfs/dbraw/zinc/21/28/44/250212844.db2.gz ZOPRDGGGQNTWPE-QUCCMNQESA-N 2 1 362.518 0.794 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000473748386 250248874 /nfs/dbraw/zinc/24/88/74/250248874.db2.gz KIGZDSBLUJSCHL-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000480860876 250289286 /nfs/dbraw/zinc/28/92/86/250289286.db2.gz BTPCXZGDOQVMBL-UHFFFAOYSA-N 2 1 355.508 0.602 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCSC1 ZINC000481653286 250348516 /nfs/dbraw/zinc/34/85/16/250348516.db2.gz AQJKFQUKHPRMLH-RHSMWYFYSA-N 2 1 371.551 0.310 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539410 250340832 /nfs/dbraw/zinc/34/08/32/250340832.db2.gz JFARQSHCAXNGIQ-CVEARBPZSA-N 2 1 353.511 0.665 20 0 FCADMP NC(=O)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269719788 211054138 /nfs/dbraw/zinc/05/41/38/211054138.db2.gz PTHRFQIYGPXJJA-OAHLLOKOSA-N 2 1 352.866 0.871 20 0 FCADMP C[N@@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000269686846 211044492 /nfs/dbraw/zinc/04/44/92/211044492.db2.gz NLHFQYKRUFIRPP-UHFFFAOYSA-N 2 1 361.486 0.804 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C)C1 ZINC000413893223 533000352 /nfs/dbraw/zinc/00/03/52/533000352.db2.gz AMFNGLMXWJDNNC-GDBMZVCRSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C)C1 ZINC000413893223 533000361 /nfs/dbraw/zinc/00/03/61/533000361.db2.gz AMFNGLMXWJDNNC-GDBMZVCRSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893223 533000362 /nfs/dbraw/zinc/00/03/62/533000362.db2.gz AMFNGLMXWJDNNC-GDBMZVCRSA-N 2 1 353.463 0.193 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C)C1 ZINC000413893223 533000363 /nfs/dbraw/zinc/00/03/63/533000363.db2.gz AMFNGLMXWJDNNC-GDBMZVCRSA-N 2 1 353.463 0.193 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1=O ZINC000074227532 208055395 /nfs/dbraw/zinc/05/53/95/208055395.db2.gz JAXVRWXKIQXIJD-OAHLLOKOSA-N 2 1 364.515 0.633 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+]2CCc3sccc3C2)CC1=O ZINC000074227532 208055398 /nfs/dbraw/zinc/05/53/98/208055398.db2.gz JAXVRWXKIQXIJD-OAHLLOKOSA-N 2 1 364.515 0.633 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000078683199 208084903 /nfs/dbraw/zinc/08/49/03/208084903.db2.gz YDCJTSBFHHTIEY-CABCVRRESA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000078683199 208084910 /nfs/dbraw/zinc/08/49/10/208084910.db2.gz YDCJTSBFHHTIEY-CABCVRRESA-N 2 1 353.511 0.616 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000079205464 208087831 /nfs/dbraw/zinc/08/78/31/208087831.db2.gz UNOOYCDFPHUDOC-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000079205464 208087838 /nfs/dbraw/zinc/08/78/38/208087838.db2.gz UNOOYCDFPHUDOC-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)cn2)CC1 ZINC000092070476 208142938 /nfs/dbraw/zinc/14/29/38/208142938.db2.gz PDUJKXCJJNJHCD-MRXNPFEDSA-N 2 1 356.478 0.732 20 0 FCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)cn2)CC1 ZINC000092070476 208142945 /nfs/dbraw/zinc/14/29/45/208142945.db2.gz PDUJKXCJJNJHCD-MRXNPFEDSA-N 2 1 356.478 0.732 20 0 FCADMP CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092734190 208148834 /nfs/dbraw/zinc/14/88/34/208148834.db2.gz JHLJCKVXJDYFGX-QGZVFWFLSA-N 2 1 360.506 0.967 20 0 FCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092734190 208148839 /nfs/dbraw/zinc/14/88/39/208148839.db2.gz JHLJCKVXJDYFGX-QGZVFWFLSA-N 2 1 360.506 0.967 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000093187951 208152338 /nfs/dbraw/zinc/15/23/38/208152338.db2.gz VXHBWEKKTSIEJG-HDICACEKSA-N 2 1 366.550 0.972 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105137399 208194120 /nfs/dbraw/zinc/19/41/20/208194120.db2.gz NBEYPZOIWDBABY-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105137399 208194125 /nfs/dbraw/zinc/19/41/25/208194125.db2.gz NBEYPZOIWDBABY-OAHLLOKOSA-N 2 1 353.511 0.616 20 0 FCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000107371423 208243043 /nfs/dbraw/zinc/24/30/43/208243043.db2.gz JJYLZNGGRQBJJL-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000113452667 208308430 /nfs/dbraw/zinc/30/84/30/208308430.db2.gz ZWIYIKSYTKOWGY-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616730 208388524 /nfs/dbraw/zinc/38/85/24/208388524.db2.gz FPYYVABKNWDODX-CVEARBPZSA-N 2 1 367.538 0.911 20 0 FCADMP C[C@H]1OCC[C@@H]1NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000121228279 208399982 /nfs/dbraw/zinc/39/99/82/208399982.db2.gz UXEKCGMGFCWOJR-ZBFHGGJFSA-N 2 1 353.488 0.890 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000266771276 210399839 /nfs/dbraw/zinc/39/98/39/210399839.db2.gz SRPJXZZIQXHKIJ-UHFFFAOYSA-N 2 1 363.462 0.582 20 0 FCADMP Cn1c2ncn(CC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2c(=O)n(C)c1=O ZINC000266712088 210387658 /nfs/dbraw/zinc/38/76/58/210387658.db2.gz DVZVMPGDZXXRPQ-OAHLLOKOSA-N 2 1 374.489 0.242 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2c(=O)n(C)c1=O ZINC000266712088 210387662 /nfs/dbraw/zinc/38/76/62/210387662.db2.gz DVZVMPGDZXXRPQ-OAHLLOKOSA-N 2 1 374.489 0.242 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000931887793 674151288 /nfs/dbraw/zinc/15/12/88/674151288.db2.gz WSUXIQYQCKIOSM-ZDUSSCGKSA-N 2 1 364.412 0.682 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180046687 209091347 /nfs/dbraw/zinc/09/13/47/209091347.db2.gz BNLVIZBTBWDELN-UHFFFAOYSA-N 2 1 350.467 0.546 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413049649 533477172 /nfs/dbraw/zinc/47/71/72/533477172.db2.gz UTFUHMVFAFXLEK-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410433136 230077517 /nfs/dbraw/zinc/07/75/17/230077517.db2.gz KZKSSHSVCPVOTI-IRXDYDNUSA-N 2 1 368.522 0.356 20 0 FCADMP CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000363650238 488869049 /nfs/dbraw/zinc/86/90/49/488869049.db2.gz DADWOVDSFNQTKC-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000562793807 491189428 /nfs/dbraw/zinc/18/94/28/491189428.db2.gz FARPGXRZWKUMJV-HKUYNNGSSA-N 2 1 374.533 0.400 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000363792694 488886032 /nfs/dbraw/zinc/88/60/32/488886032.db2.gz GEDSXWWQADOZJE-KRWDZBQOSA-N 2 1 352.523 0.631 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699589 488895138 /nfs/dbraw/zinc/89/51/38/488895138.db2.gz UHMUAWXRBXBXSQ-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP O=S(=O)(CCCN1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000364048082 488917699 /nfs/dbraw/zinc/91/76/99/488917699.db2.gz NOGAWZXVCGJLTN-SJLPKXTDSA-N 2 1 371.547 0.987 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327013917 488917722 /nfs/dbraw/zinc/91/77/22/488917722.db2.gz GDCLKUBITZICLM-HRCADAONSA-N 2 1 354.495 0.108 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283031 488943483 /nfs/dbraw/zinc/94/34/83/488943483.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283031 488943487 /nfs/dbraw/zinc/94/34/87/488943487.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283031 488943490 /nfs/dbraw/zinc/94/34/90/488943490.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 2 1 367.538 0.517 20 0 FCADMP [NH3+][C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000554287951 491191516 /nfs/dbraw/zinc/19/15/16/491191516.db2.gz KEUXXCULUBZZFQ-GOSISDBHSA-N 2 1 368.485 0.675 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000067614093 488353448 /nfs/dbraw/zinc/35/34/48/488353448.db2.gz ZXQSTUYCMRWYAO-MSOLQXFVSA-N 2 1 370.538 0.735 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](CCO)CC1 ZINC000071832616 488377583 /nfs/dbraw/zinc/37/75/83/488377583.db2.gz HIAWYYOLGUISJN-GOSISDBHSA-N 2 1 374.529 0.766 20 0 FCADMP CC(C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072830961 488383036 /nfs/dbraw/zinc/38/30/36/488383036.db2.gz ZVFDRMMWUIKRNT-WOJBJXKFSA-N 2 1 362.518 0.827 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000073704835 488385903 /nfs/dbraw/zinc/38/59/03/488385903.db2.gz DFJAXTZMMFISQQ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000073704835 488385904 /nfs/dbraw/zinc/38/59/04/488385904.db2.gz DFJAXTZMMFISQQ-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1=O ZINC000073880575 488386756 /nfs/dbraw/zinc/38/67/56/488386756.db2.gz HXZOOYVSOKCXOG-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182708986 488389318 /nfs/dbraw/zinc/38/93/18/488389318.db2.gz JIFRUVOTVDTGHR-SJLPKXTDSA-N 2 1 356.511 0.633 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963569 488390208 /nfs/dbraw/zinc/39/02/08/488390208.db2.gz LSHQFMDKGUPITC-LBPRGKRZSA-N 2 1 367.416 0.332 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(C)(C)C ZINC000074301457 488390276 /nfs/dbraw/zinc/39/02/76/488390276.db2.gz WPZSTFVCNLKWEF-MAUKXSAKSA-N 2 1 358.527 0.735 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345536 488390956 /nfs/dbraw/zinc/39/09/56/488390956.db2.gz GOAXCXGRZZLJBO-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345536 488390958 /nfs/dbraw/zinc/39/09/58/488390958.db2.gz GOAXCXGRZZLJBO-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345536 488390960 /nfs/dbraw/zinc/39/09/60/488390960.db2.gz GOAXCXGRZZLJBO-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000074345147 488391142 /nfs/dbraw/zinc/39/11/42/488391142.db2.gz RCJZIJJUUXOQJW-KRWDZBQOSA-N 2 1 367.538 0.947 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC000074345430 488391248 /nfs/dbraw/zinc/39/12/48/488391248.db2.gz NUGNOUBKNDEWBF-IRXDYDNUSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345213 488391274 /nfs/dbraw/zinc/39/12/74/488391274.db2.gz LGJSFKMICFJRAE-MRXNPFEDSA-N 2 1 353.511 0.557 20 0 FCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC000074345538 488391281 /nfs/dbraw/zinc/39/12/81/488391281.db2.gz AWVGXMHFRRMICF-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562831765 491194804 /nfs/dbraw/zinc/19/48/04/491194804.db2.gz RSTPTNQGNPAJLM-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000074616592 488392694 /nfs/dbraw/zinc/39/26/94/488392694.db2.gz MEWDDFLUYSZZMV-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000074616592 488392696 /nfs/dbraw/zinc/39/26/96/488392696.db2.gz MEWDDFLUYSZZMV-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP COCCC[NH+](C)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000074616592 488392698 /nfs/dbraw/zinc/39/26/98/488392698.db2.gz MEWDDFLUYSZZMV-QGZVFWFLSA-N 2 1 355.527 0.376 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877874 488394549 /nfs/dbraw/zinc/39/45/49/488394549.db2.gz JJFYCEVCCZMPAG-WMZOPIPTSA-N 2 1 351.539 0.996 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000184849677 488398060 /nfs/dbraw/zinc/39/80/60/488398060.db2.gz RCFADJMFERBREH-HNNXBMFYSA-N 2 1 353.511 0.761 20 0 FCADMP CC[N@H+](CCO)CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000185388586 488400762 /nfs/dbraw/zinc/40/07/62/488400762.db2.gz OTAADRDLUNMIJE-UHFFFAOYSA-N 2 1 364.490 0.997 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000185388586 488400765 /nfs/dbraw/zinc/40/07/65/488400765.db2.gz OTAADRDLUNMIJE-UHFFFAOYSA-N 2 1 364.490 0.997 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076308864 488402924 /nfs/dbraw/zinc/40/29/24/488402924.db2.gz DSYYCOGPKGADSJ-GOSISDBHSA-N 2 1 354.539 0.923 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000186622710 488407218 /nfs/dbraw/zinc/40/72/18/488407218.db2.gz HKRLOQBBSQUXEV-HNNXBMFYSA-N 2 1 357.524 0.776 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000186622710 488407219 /nfs/dbraw/zinc/40/72/19/488407219.db2.gz HKRLOQBBSQUXEV-HNNXBMFYSA-N 2 1 357.524 0.776 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCCCC1 ZINC000077208631 488409319 /nfs/dbraw/zinc/40/93/19/488409319.db2.gz MNMRUCBNBZNSGI-IRXDYDNUSA-N 2 1 367.538 0.995 20 0 FCADMP C[C@@H]1CN(Cc2ccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416602 /nfs/dbraw/zinc/41/66/02/488416602.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 1 364.486 0.850 20 0 FCADMP C[C@@H]1CN(Cc2ccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416603 /nfs/dbraw/zinc/41/66/03/488416603.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 1 364.486 0.850 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000079689727 488431473 /nfs/dbraw/zinc/43/14/73/488431473.db2.gz KLWQKTFUTAZFGD-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n1C ZINC000083737680 488449090 /nfs/dbraw/zinc/44/90/90/488449090.db2.gz UNBCBXAGPPJAGS-OAHLLOKOSA-N 2 1 352.483 0.738 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000269229311 488480650 /nfs/dbraw/zinc/48/06/50/488480650.db2.gz HAEBZWCPXNPWJF-SFHVURJKSA-N 2 1 374.485 0.459 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000269240712 488481575 /nfs/dbraw/zinc/48/15/75/488481575.db2.gz BDTHNRFLXVDKAZ-HKUYNNGSSA-N 2 1 371.485 0.638 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1=O ZINC000247301818 488484555 /nfs/dbraw/zinc/48/45/55/488484555.db2.gz PDJKOFIUYNEARI-USXIJHARSA-N 2 1 350.507 0.905 20 0 FCADMP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1COCC[NH2+]1 ZINC000269268316 488484653 /nfs/dbraw/zinc/48/46/53/488484653.db2.gz QROKAIOLSJKREB-KRWDZBQOSA-N 2 1 351.422 0.774 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000102048637 488497179 /nfs/dbraw/zinc/49/71/79/488497179.db2.gz APFHUOXBIYGKDV-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[C@H]1CO ZINC000248975295 488504745 /nfs/dbraw/zinc/50/47/45/488504745.db2.gz UGKHGHNOPPBGOV-APWZRJJASA-N 2 1 373.497 0.968 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000105193273 488508050 /nfs/dbraw/zinc/50/80/50/488508050.db2.gz MUGUOYKUFONAKU-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000105193273 488508052 /nfs/dbraw/zinc/50/80/52/488508052.db2.gz MUGUOYKUFONAKU-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249371608 488509200 /nfs/dbraw/zinc/50/92/00/488509200.db2.gz WUPOGYKQJQENPU-AYOQOUSVSA-N 2 1 361.486 0.583 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCCOCC2)CC1=O ZINC000249849335 488514886 /nfs/dbraw/zinc/51/48/86/488514886.db2.gz PDXRXYCXVVLJGW-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)CC1=O ZINC000249849335 488514887 /nfs/dbraw/zinc/51/48/87/488514887.db2.gz PDXRXYCXVVLJGW-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCCOCC2)CC1=O ZINC000249849335 488514891 /nfs/dbraw/zinc/51/48/91/488514891.db2.gz PDXRXYCXVVLJGW-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249779834 488515054 /nfs/dbraw/zinc/51/50/54/488515054.db2.gz PMMPIBXTGWRHHV-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000249779834 488515055 /nfs/dbraw/zinc/51/50/55/488515055.db2.gz PMMPIBXTGWRHHV-CVEARBPZSA-N 2 1 353.511 0.570 20 0 FCADMP CCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000107328643 488517599 /nfs/dbraw/zinc/51/75/99/488517599.db2.gz KYVFOCKOLURZMD-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261653991 488529528 /nfs/dbraw/zinc/52/95/28/488529528.db2.gz JXYMPBGMYXGKKH-HNNXBMFYSA-N 2 1 368.503 0.224 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000111852244 488532005 /nfs/dbraw/zinc/53/20/05/488532005.db2.gz OVUPTFDJKRXUPN-UHFFFAOYSA-N 2 1 356.511 0.851 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000112743605 488536150 /nfs/dbraw/zinc/53/61/50/488536150.db2.gz SDDGROXQQYMRSF-UHFFFAOYSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261799754 488536460 /nfs/dbraw/zinc/53/64/60/488536460.db2.gz IUXHQWXIPRSERD-VVLHAWIVSA-N 2 1 350.507 0.966 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261899236 488540553 /nfs/dbraw/zinc/54/05/53/488540553.db2.gz WIQPGOMXEZEAGN-SJORKVTESA-N 2 1 360.458 0.829 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261899236 488540556 /nfs/dbraw/zinc/54/05/56/488540556.db2.gz WIQPGOMXEZEAGN-SJORKVTESA-N 2 1 360.458 0.829 20 0 FCADMP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000115519488 488544833 /nfs/dbraw/zinc/54/48/33/488544833.db2.gz ZIHGVZVVWPAHDF-INIZCTEOSA-N 2 1 363.506 0.968 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262070228 488549274 /nfs/dbraw/zinc/54/92/74/488549274.db2.gz PBWASFDPBVIOEU-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262070228 488549276 /nfs/dbraw/zinc/54/92/76/488549276.db2.gz PBWASFDPBVIOEU-MOPGFXCFSA-N 2 1 358.486 0.394 20 0 FCADMP O=C(CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)N1CC[NH2+]CC1 ZINC000262095053 488549916 /nfs/dbraw/zinc/54/99/16/488549916.db2.gz LRLUPGVJFORCFP-LJQANCHMSA-N 2 1 370.497 0.858 20 0 FCADMP C[NH+]1CC=C(CNC(=O)C2(C(=O)NCC3=CC[N@@H+](C)CC3)CCC2)CC1 ZINC000271885530 488552149 /nfs/dbraw/zinc/55/21/49/488552149.db2.gz CYYZWDCDAWMJTL-UHFFFAOYSA-N 2 1 360.502 0.913 20 0 FCADMP O=C(CC[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000262165879 488554772 /nfs/dbraw/zinc/55/47/72/488554772.db2.gz QBJIRCZVIWPRSV-UHFFFAOYSA-N 2 1 362.449 0.796 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000119700360 488558671 /nfs/dbraw/zinc/55/86/71/488558671.db2.gz KEZYQKSYIPRRGR-ZBFHGGJFSA-N 2 1 365.522 0.901 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000119700360 488558672 /nfs/dbraw/zinc/55/86/72/488558672.db2.gz KEZYQKSYIPRRGR-ZBFHGGJFSA-N 2 1 365.522 0.901 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000121277498 488565581 /nfs/dbraw/zinc/56/55/81/488565581.db2.gz YRYNPOJVYWITGI-MRXNPFEDSA-N 2 1 367.538 0.816 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000121277498 488565583 /nfs/dbraw/zinc/56/55/83/488565583.db2.gz YRYNPOJVYWITGI-MRXNPFEDSA-N 2 1 367.538 0.816 20 0 FCADMP CCC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000121784675 488570808 /nfs/dbraw/zinc/57/08/08/488570808.db2.gz QQGSPUWWVNBKIA-ZWKOTPCHSA-N 2 1 354.539 0.972 20 0 FCADMP CCC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000121784675 488570810 /nfs/dbraw/zinc/57/08/10/488570810.db2.gz QQGSPUWWVNBKIA-ZWKOTPCHSA-N 2 1 354.539 0.972 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000122061975 488575105 /nfs/dbraw/zinc/57/51/05/488575105.db2.gz FGTXGLRAQXSGJF-HUUCEWRRSA-N 2 1 362.478 0.326 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000262598832 488580034 /nfs/dbraw/zinc/58/00/34/488580034.db2.gz WNYZKFKZTYEFNH-QBPKDAKJSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+]C1(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000262664055 488584896 /nfs/dbraw/zinc/58/48/96/488584896.db2.gz HYMAPUXOHVXBLO-UHFFFAOYSA-N 2 1 350.394 0.916 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806806 488594380 /nfs/dbraw/zinc/59/43/80/488594380.db2.gz PUMPQXRDAKUKIF-SJORKVTESA-N 2 1 362.522 0.811 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000124634094 488594644 /nfs/dbraw/zinc/59/46/44/488594644.db2.gz WPAWCPPJUCJVAF-CQSZACIVSA-N 2 1 350.467 0.233 20 0 FCADMP CO[C@H](C[NH3+])CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262897048 488598200 /nfs/dbraw/zinc/59/82/00/488598200.db2.gz PDIBZIZZCJXQAH-IRXDYDNUSA-N 2 1 362.474 0.364 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000128181326 488622660 /nfs/dbraw/zinc/62/26/60/488622660.db2.gz LGZWTAIZJGIFLQ-ZBFHGGJFSA-N 2 1 357.462 0.900 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000129172258 488629180 /nfs/dbraw/zinc/62/91/80/488629180.db2.gz GIKLFIOLSDDTTE-KRWDZBQOSA-N 2 1 352.523 0.630 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000129172258 488629183 /nfs/dbraw/zinc/62/91/83/488629183.db2.gz GIKLFIOLSDDTTE-KRWDZBQOSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCSCC1 ZINC000131715530 488648106 /nfs/dbraw/zinc/64/81/06/488648106.db2.gz WAXKIRNNCWAXCC-LSDHHAIUSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCSCC1 ZINC000131715530 488648107 /nfs/dbraw/zinc/64/81/07/488648107.db2.gz WAXKIRNNCWAXCC-LSDHHAIUSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554573292 491210328 /nfs/dbraw/zinc/21/03/28/491210328.db2.gz WWCNDDNNYMQIJW-IAGOWNOFSA-N 2 1 355.527 0.111 20 0 FCADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(CO)CO ZINC000135866796 488675177 /nfs/dbraw/zinc/67/51/77/488675177.db2.gz QQUGXTQSYMKJIW-UHFFFAOYSA-N 2 1 363.502 0.821 20 0 FCADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(CO)CO ZINC000135866796 488675179 /nfs/dbraw/zinc/67/51/79/488675179.db2.gz QQUGXTQSYMKJIW-UHFFFAOYSA-N 2 1 363.502 0.821 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(CO)CO ZINC000135914846 488675928 /nfs/dbraw/zinc/67/59/28/488675928.db2.gz BEZMSJYDCMNHQK-SJLPKXTDSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(CO)CO ZINC000135914846 488675930 /nfs/dbraw/zinc/67/59/30/488675930.db2.gz BEZMSJYDCMNHQK-SJLPKXTDSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914846 488675932 /nfs/dbraw/zinc/67/59/32/488675932.db2.gz BEZMSJYDCMNHQK-SJLPKXTDSA-N 2 1 363.502 0.688 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(CO)CO ZINC000135914846 488675934 /nfs/dbraw/zinc/67/59/34/488675934.db2.gz BEZMSJYDCMNHQK-SJLPKXTDSA-N 2 1 363.502 0.688 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000136644679 488678592 /nfs/dbraw/zinc/67/85/92/488678592.db2.gz KIRZILYOKFWUFL-KRWDZBQOSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000264488692 488678767 /nfs/dbraw/zinc/67/87/67/488678767.db2.gz PFKHQDIKRMZLCT-DLBZAZTESA-N 2 1 361.490 0.928 20 0 FCADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000136814287 488679098 /nfs/dbraw/zinc/67/90/98/488679098.db2.gz CREOUGUWXQBFIM-JKSUJKDBSA-N 2 1 353.511 0.665 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000137262312 488680718 /nfs/dbraw/zinc/68/07/18/488680718.db2.gz LPLORLSKRYZGQF-INIZCTEOSA-N 2 1 362.474 0.816 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC000138494450 488682142 /nfs/dbraw/zinc/68/21/42/488682142.db2.gz VJSKLCYXCWIQEK-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC000138494450 488682144 /nfs/dbraw/zinc/68/21/44/488682144.db2.gz VJSKLCYXCWIQEK-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP CC[NH+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000138494450 488682146 /nfs/dbraw/zinc/68/21/46/488682146.db2.gz VJSKLCYXCWIQEK-INIZCTEOSA-N 2 1 353.511 0.665 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)CC[C@@H]21 ZINC000141409625 488687586 /nfs/dbraw/zinc/68/75/86/488687586.db2.gz CZHVHLBNIKLSDI-IKGGRYGDSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC[C@@H]21 ZINC000141409625 488687588 /nfs/dbraw/zinc/68/75/88/488687588.db2.gz CZHVHLBNIKLSDI-IKGGRYGDSA-N 2 1 365.522 0.700 20 0 FCADMP C[NH+]1CCC[C@@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC[C@@H]21 ZINC000141409625 488687590 /nfs/dbraw/zinc/68/75/90/488687590.db2.gz CZHVHLBNIKLSDI-IKGGRYGDSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000554630649 491214202 /nfs/dbraw/zinc/21/42/02/491214202.db2.gz XOCRAVTWUUXIRM-OAHLLOKOSA-N 2 1 350.507 0.991 20 0 FCADMP CN(CCN1CCOCC1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000266144598 488723847 /nfs/dbraw/zinc/72/38/47/488723847.db2.gz MQFQWYIWQIYPJK-UHFFFAOYSA-N 2 1 360.502 0.838 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000153594322 488732896 /nfs/dbraw/zinc/73/28/96/488732896.db2.gz MMUGJPHREAHWQA-INIZCTEOSA-N 2 1 354.495 0.461 20 0 FCADMP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153653576 488733660 /nfs/dbraw/zinc/73/36/60/488733660.db2.gz WXYHRFGTUYTBFX-JKSUJKDBSA-N 2 1 368.547 0.579 20 0 FCADMP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000153653576 488733663 /nfs/dbraw/zinc/73/36/63/488733663.db2.gz WXYHRFGTUYTBFX-JKSUJKDBSA-N 2 1 368.547 0.579 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153653656 488733715 /nfs/dbraw/zinc/73/37/15/488733715.db2.gz WXYHRFGTUYTBFX-HZPDHXFCSA-N 2 1 368.547 0.579 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000153653656 488733718 /nfs/dbraw/zinc/73/37/18/488733718.db2.gz WXYHRFGTUYTBFX-HZPDHXFCSA-N 2 1 368.547 0.579 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC2)cc1 ZINC000154292233 488740749 /nfs/dbraw/zinc/74/07/49/488740749.db2.gz XOGOWBASMUSCMW-MRXNPFEDSA-N 2 1 355.504 0.660 20 0 FCADMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154531157 488744223 /nfs/dbraw/zinc/74/42/23/488744223.db2.gz AIYOHDDYIKDCIL-CALCHBBNSA-N 2 1 368.522 0.498 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000156526632 488765763 /nfs/dbraw/zinc/76/57/63/488765763.db2.gz LRRSMCVDXCONGJ-KRWDZBQOSA-N 2 1 365.522 0.857 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000158694120 488780152 /nfs/dbraw/zinc/78/01/52/488780152.db2.gz MHNAMCCGPUFGQO-INIZCTEOSA-N 2 1 356.511 0.755 20 0 FCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1C[NH2+]CCO1 ZINC000166165462 488811417 /nfs/dbraw/zinc/81/14/17/488811417.db2.gz CRUJSOJRZVQGJM-SFHVURJKSA-N 2 1 358.442 0.900 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000171898728 488828482 /nfs/dbraw/zinc/82/84/82/488828482.db2.gz NQWUGTNBXBHTNM-KRWDZBQOSA-N 2 1 356.511 0.347 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000172541204 488835206 /nfs/dbraw/zinc/83/52/06/488835206.db2.gz BWRAHFXSXUDOKJ-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172541204 488835208 /nfs/dbraw/zinc/83/52/08/488835208.db2.gz BWRAHFXSXUDOKJ-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000172595321 488835582 /nfs/dbraw/zinc/83/55/82/488835582.db2.gz KQJBTPFGGTWBTM-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000172595321 488835584 /nfs/dbraw/zinc/83/55/84/488835584.db2.gz KQJBTPFGGTWBTM-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000172595321 488835586 /nfs/dbraw/zinc/83/55/86/488835586.db2.gz KQJBTPFGGTWBTM-GOSISDBHSA-N 2 1 370.538 0.831 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000172677621 488836594 /nfs/dbraw/zinc/83/65/94/488836594.db2.gz WQQIQCMQTRVQRA-CALCHBBNSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000172677621 488836596 /nfs/dbraw/zinc/83/65/96/488836596.db2.gz WQQIQCMQTRVQRA-CALCHBBNSA-N 2 1 360.506 0.978 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000570199380 491223891 /nfs/dbraw/zinc/22/38/91/491223891.db2.gz NNNFHCXLODTVSA-HOCLYGCPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199380 491223893 /nfs/dbraw/zinc/22/38/93/491223893.db2.gz NNNFHCXLODTVSA-HOCLYGCPSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199380 491223895 /nfs/dbraw/zinc/22/38/95/491223895.db2.gz NNNFHCXLODTVSA-HOCLYGCPSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000174164026 488847559 /nfs/dbraw/zinc/84/75/59/488847559.db2.gz UWMBJPVUZDHWRB-SFHVURJKSA-N 2 1 356.511 0.632 20 0 FCADMP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000174387387 488848942 /nfs/dbraw/zinc/84/89/42/488848942.db2.gz YETWUSZOEHAPDC-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000174778711 488851068 /nfs/dbraw/zinc/85/10/68/488851068.db2.gz MIHFGIPVSKVMHX-LPHOPBHVSA-N 2 1 372.513 0.960 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000175241926 488853461 /nfs/dbraw/zinc/85/34/61/488853461.db2.gz GIPFLYSLIXWLFZ-UHFFFAOYSA-N 2 1 350.463 0.771 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000175780047 488855732 /nfs/dbraw/zinc/85/57/32/488855732.db2.gz GHJUQZGEGGDICX-UHFFFAOYSA-N 2 1 353.511 0.668 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176164957 488857566 /nfs/dbraw/zinc/85/75/66/488857566.db2.gz GGIODHSMBSNLBZ-GOSISDBHSA-N 2 1 368.522 0.849 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288467114 488983323 /nfs/dbraw/zinc/98/33/23/488983323.db2.gz GXHFUARTZQATGG-UHFFFAOYSA-N 2 1 372.513 0.754 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)(N2CCCCC2)CC1 ZINC000365024645 489030259 /nfs/dbraw/zinc/03/02/59/489030259.db2.gz CHGWNYAAYUQHGD-CABCVRRESA-N 2 1 352.479 0.086 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1Cl ZINC000281315865 489066704 /nfs/dbraw/zinc/06/67/04/489066704.db2.gz ALVSEZAUHVEIIA-KRWDZBQOSA-N 2 1 370.881 0.769 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000365422714 489073949 /nfs/dbraw/zinc/07/39/49/489073949.db2.gz DZUDHKZTKSTVNU-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000330211537 489080452 /nfs/dbraw/zinc/08/04/52/489080452.db2.gz DCMZHPALBHVQEF-IYBDPMFKSA-N 2 1 374.547 0.747 20 0 FCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000330211537 489080455 /nfs/dbraw/zinc/08/04/55/489080455.db2.gz DCMZHPALBHVQEF-IYBDPMFKSA-N 2 1 374.547 0.747 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1CCO ZINC000330304654 489089816 /nfs/dbraw/zinc/08/98/16/489089816.db2.gz KLYZNXUZECAXMB-GOSISDBHSA-N 2 1 360.502 0.724 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290141816 489117197 /nfs/dbraw/zinc/11/71/97/489117197.db2.gz BQVCBZXJWOFQQT-INIZCTEOSA-N 2 1 361.490 0.767 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365942092 489128625 /nfs/dbraw/zinc/12/86/25/489128625.db2.gz RXJSCINAIJRZAO-CQSZACIVSA-N 2 1 364.494 0.935 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000366012644 489134448 /nfs/dbraw/zinc/13/44/48/489134448.db2.gz FPANHOSNCNOALY-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000290401941 489137074 /nfs/dbraw/zinc/13/70/74/489137074.db2.gz IRWJBWHFEUIGOG-NVXWUHKLSA-N 2 1 371.485 0.910 20 0 FCADMP O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000290401941 489137076 /nfs/dbraw/zinc/13/70/76/489137076.db2.gz IRWJBWHFEUIGOG-NVXWUHKLSA-N 2 1 371.485 0.910 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000330765715 489141097 /nfs/dbraw/zinc/14/10/97/489141097.db2.gz KEUWYZBONYRUHF-OAHLLOKOSA-N 2 1 374.551 0.237 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000330765715 489141100 /nfs/dbraw/zinc/14/11/00/489141100.db2.gz KEUWYZBONYRUHF-OAHLLOKOSA-N 2 1 374.551 0.237 20 0 FCADMP CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366253518 489163545 /nfs/dbraw/zinc/16/35/45/489163545.db2.gz FEBUGRVGULSGRV-GOSISDBHSA-N 2 1 351.495 0.276 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366253518 489163550 /nfs/dbraw/zinc/16/35/50/489163550.db2.gz FEBUGRVGULSGRV-GOSISDBHSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331379896 489203812 /nfs/dbraw/zinc/20/38/12/489203812.db2.gz GECSJXAQINVJIS-DMRKSPOLSA-N 2 1 350.507 0.537 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000283197609 489225958 /nfs/dbraw/zinc/22/59/58/489225958.db2.gz AVHFTEGQPFTAIO-RRFJBIMHSA-N 2 1 350.463 0.988 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283225528 489230093 /nfs/dbraw/zinc/23/00/93/489230093.db2.gz ABWWFODWROWOOI-QGZVFWFLSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283225528 489230096 /nfs/dbraw/zinc/23/00/96/489230096.db2.gz ABWWFODWROWOOI-QGZVFWFLSA-N 2 1 358.486 0.930 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283225528 489230098 /nfs/dbraw/zinc/23/00/98/489230098.db2.gz ABWWFODWROWOOI-QGZVFWFLSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000369356445 489230301 /nfs/dbraw/zinc/23/03/01/489230301.db2.gz XCELJXIPFMDORI-IBGZPJMESA-N 2 1 360.502 0.885 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000332834620 489237581 /nfs/dbraw/zinc/23/75/81/489237581.db2.gz HUZQAVRZEILUSM-CWLKWCNXSA-N 2 1 368.522 0.461 20 0 FCADMP CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570451573 491241619 /nfs/dbraw/zinc/24/16/19/491241619.db2.gz RQQSJBJWZCLOQA-ROUUACIJSA-N 2 1 369.531 0.711 20 0 FCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000332934664 489248267 /nfs/dbraw/zinc/24/82/67/489248267.db2.gz VWSLRNSXEXEZDB-XJKSGUPXSA-N 2 1 351.495 0.321 20 0 FCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000332934664 489248270 /nfs/dbraw/zinc/24/82/70/489248270.db2.gz VWSLRNSXEXEZDB-XJKSGUPXSA-N 2 1 351.495 0.321 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369675524 489262498 /nfs/dbraw/zinc/26/24/98/489262498.db2.gz GRHXFRSVPDORHX-UHFFFAOYSA-N 2 1 352.483 1.240 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000369698992 489266418 /nfs/dbraw/zinc/26/64/18/489266418.db2.gz ZKDNEYQTRRRIPI-HNNXBMFYSA-N 2 1 364.494 1.162 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587958 489278204 /nfs/dbraw/zinc/27/82/04/489278204.db2.gz VIMYRFNJCTZINE-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283587958 489278206 /nfs/dbraw/zinc/27/82/06/489278206.db2.gz VIMYRFNJCTZINE-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283587958 489278208 /nfs/dbraw/zinc/27/82/08/489278208.db2.gz VIMYRFNJCTZINE-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587964 489278225 /nfs/dbraw/zinc/27/82/25/489278225.db2.gz VIMYRFNJCTZINE-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283587964 489278227 /nfs/dbraw/zinc/27/82/27/489278227.db2.gz VIMYRFNJCTZINE-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283587964 489278229 /nfs/dbraw/zinc/27/82/29/489278229.db2.gz VIMYRFNJCTZINE-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283620650 489282092 /nfs/dbraw/zinc/28/20/92/489282092.db2.gz XMRZZYAZJPOJPW-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283620650 489282095 /nfs/dbraw/zinc/28/20/95/489282095.db2.gz XMRZZYAZJPOJPW-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283620650 489282096 /nfs/dbraw/zinc/28/20/96/489282096.db2.gz XMRZZYAZJPOJPW-QGZVFWFLSA-N 2 1 362.474 0.072 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000284277130 489310660 /nfs/dbraw/zinc/31/06/60/489310660.db2.gz HIFSZGYZQOXQDW-OAHLLOKOSA-N 2 1 350.463 0.988 20 0 FCADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000370057275 489311422 /nfs/dbraw/zinc/31/14/22/489311422.db2.gz LNAYPDTYMYHXCK-INIZCTEOSA-N 2 1 354.495 0.461 20 0 FCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370068298 489313228 /nfs/dbraw/zinc/31/32/28/489313228.db2.gz WQNDFXRNVAOTGU-SJORKVTESA-N 2 1 374.485 0.975 20 0 FCADMP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075990 489314088 /nfs/dbraw/zinc/31/40/88/489314088.db2.gz CWOKLWAJEMOTLA-AEFFLSMTSA-N 2 1 368.522 0.992 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370128115 489318568 /nfs/dbraw/zinc/31/85/68/489318568.db2.gz DINANQPESAKQIV-BRWVUGGUSA-N 2 1 352.479 0.213 20 0 FCADMP Cc1ccc(NCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[nH+]c1 ZINC000285837200 489324786 /nfs/dbraw/zinc/32/47/86/489324786.db2.gz VWKAIVSFNVVSDS-UHFFFAOYSA-N 2 1 354.476 0.475 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473935 489364456 /nfs/dbraw/zinc/36/44/56/489364456.db2.gz TZKRMOOWAFNNJU-BURFUSLBSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473935 489364458 /nfs/dbraw/zinc/36/44/58/489364458.db2.gz TZKRMOOWAFNNJU-BURFUSLBSA-N 2 1 362.518 0.918 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000370473935 489364460 /nfs/dbraw/zinc/36/44/60/489364460.db2.gz TZKRMOOWAFNNJU-BURFUSLBSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000563536471 491253349 /nfs/dbraw/zinc/25/33/49/491253349.db2.gz LRONTLKBFXZXFF-RYUDHWBXSA-N 2 1 362.478 0.420 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286659419 489414304 /nfs/dbraw/zinc/41/43/04/489414304.db2.gz AITPLVQVNNCDPU-UHFFFAOYSA-N 2 1 352.483 0.293 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000563609242 491257742 /nfs/dbraw/zinc/25/77/42/491257742.db2.gz XPWLSUKDCNMXHC-GOSISDBHSA-N 2 1 362.474 0.901 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000371021152 489438969 /nfs/dbraw/zinc/43/89/69/489438969.db2.gz XQHUVNWAPVDDRL-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021152 489438970 /nfs/dbraw/zinc/43/89/70/489438970.db2.gz XQHUVNWAPVDDRL-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021152 489438972 /nfs/dbraw/zinc/43/89/72/489438972.db2.gz XQHUVNWAPVDDRL-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)[C@H](C)C1 ZINC000371342873 489478896 /nfs/dbraw/zinc/47/88/96/489478896.db2.gz ZYFOBFOIBFWCDF-FGTMMUONSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@H](C)C1 ZINC000371342873 489478898 /nfs/dbraw/zinc/47/88/98/489478898.db2.gz ZYFOBFOIBFWCDF-FGTMMUONSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@H](C)C1 ZINC000371342873 489478899 /nfs/dbraw/zinc/47/88/99/489478899.db2.gz ZYFOBFOIBFWCDF-FGTMMUONSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCSCC1 ZINC000371356417 489480536 /nfs/dbraw/zinc/48/05/36/489480536.db2.gz XLVUTNTVLCKBAX-IKGGRYGDSA-N 2 1 354.564 0.908 20 0 FCADMP CCOc1ccc(OC[C@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000563617704 491258940 /nfs/dbraw/zinc/25/89/40/491258940.db2.gz ITIUECUXVVSYFD-MRXNPFEDSA-N 2 1 365.474 0.579 20 0 FCADMP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469812 489485332 /nfs/dbraw/zinc/48/53/32/489485332.db2.gz GSGNADJVDFAJGO-GBESFXJTSA-N 2 1 374.533 0.912 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[NH+](CC)CC2)CC1=O ZINC000371558158 489488246 /nfs/dbraw/zinc/48/82/46/489488246.db2.gz PIELFGUUAUCHCW-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[N@H+](CC)CC2)CC1=O ZINC000371558158 489488247 /nfs/dbraw/zinc/48/82/47/489488247.db2.gz PIELFGUUAUCHCW-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[N@@H+](CC)CC2)CC1=O ZINC000371558158 489488248 /nfs/dbraw/zinc/48/82/48/489488248.db2.gz PIELFGUUAUCHCW-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423105173 489493527 /nfs/dbraw/zinc/49/35/27/489493527.db2.gz CCCQZMSVABVADC-AWEZNQCLSA-N 2 1 350.488 0.255 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423163320 489498380 /nfs/dbraw/zinc/49/83/80/489498380.db2.gz MOZZKHLQOCIATO-KRWDZBQOSA-N 2 1 361.490 0.572 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423233605 489505770 /nfs/dbraw/zinc/50/57/70/489505770.db2.gz DUSUSUHAGNLFGX-ZBFHGGJFSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000563633967 491259980 /nfs/dbraw/zinc/25/99/80/491259980.db2.gz BLNQVPNDXDVBCV-RYUDHWBXSA-N 2 1 365.400 0.214 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415542509 489527939 /nfs/dbraw/zinc/52/79/39/489527939.db2.gz AUFFGZQUUQYGDW-GASCZTMLSA-N 2 1 362.474 0.912 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415542509 489527943 /nfs/dbraw/zinc/52/79/43/489527943.db2.gz AUFFGZQUUQYGDW-GASCZTMLSA-N 2 1 362.474 0.912 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425858470 489534524 /nfs/dbraw/zinc/53/45/24/489534524.db2.gz CVATYHPHPJFQNI-UHFFFAOYSA-N 2 1 354.495 0.156 20 0 FCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1)C1CC1 ZINC000415601609 489534950 /nfs/dbraw/zinc/53/49/50/489534950.db2.gz PUDGDZFTLSRTJQ-QGZVFWFLSA-N 2 1 360.458 0.448 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555639326 491261413 /nfs/dbraw/zinc/26/14/13/491261413.db2.gz XOGQPKSRUKNUKP-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000555639326 491261416 /nfs/dbraw/zinc/26/14/16/491261416.db2.gz XOGQPKSRUKNUKP-BBWFWOEESA-N 2 1 368.522 0.545 20 0 FCADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000372079177 489542620 /nfs/dbraw/zinc/54/26/20/489542620.db2.gz WYUDHPATHSRYSR-LJQANCHMSA-N 2 1 369.506 0.567 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000425910895 489548588 /nfs/dbraw/zinc/54/85/88/489548588.db2.gz YZNFJLKICDWZTG-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000425910895 489548591 /nfs/dbraw/zinc/54/85/91/489548591.db2.gz YZNFJLKICDWZTG-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372221326 489560667 /nfs/dbraw/zinc/56/06/67/489560667.db2.gz IFYVMYVWFWQZQB-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372221326 489560670 /nfs/dbraw/zinc/56/06/70/489560670.db2.gz IFYVMYVWFWQZQB-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372221326 489560673 /nfs/dbraw/zinc/56/06/73/489560673.db2.gz IFYVMYVWFWQZQB-IXDOHACOSA-N 2 1 353.511 0.175 20 0 FCADMP CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000454063689 489560820 /nfs/dbraw/zinc/56/08/20/489560820.db2.gz BPTGHRARMOCKMC-UHFFFAOYSA-N 2 1 356.430 1.196 20 0 FCADMP CC(C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000415992758 489567477 /nfs/dbraw/zinc/56/74/77/489567477.db2.gz HQNAZMKCNLMCDL-CHWSQXEVSA-N 2 1 353.433 0.837 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416152574 489572141 /nfs/dbraw/zinc/57/21/41/489572141.db2.gz XTMWUVAVMSTZCW-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416152574 489572143 /nfs/dbraw/zinc/57/21/43/489572143.db2.gz XTMWUVAVMSTZCW-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416152574 489572144 /nfs/dbraw/zinc/57/21/44/489572144.db2.gz XTMWUVAVMSTZCW-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000416185222 489573416 /nfs/dbraw/zinc/57/34/16/489573416.db2.gz SYRANTGOPXBJKO-BHUNQDJPSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000416185222 489573420 /nfs/dbraw/zinc/57/34/20/489573420.db2.gz SYRANTGOPXBJKO-BHUNQDJPSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NCC1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000416185222 489573423 /nfs/dbraw/zinc/57/34/23/489573423.db2.gz SYRANTGOPXBJKO-BHUNQDJPSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000555668777 491263888 /nfs/dbraw/zinc/26/38/88/491263888.db2.gz UEVRNACPCCZEST-KRWDZBQOSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000555668780 491264028 /nfs/dbraw/zinc/26/40/28/491264028.db2.gz UEVRNACPCCZEST-QGZVFWFLSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000563704969 491264135 /nfs/dbraw/zinc/26/41/35/491264135.db2.gz APSMIMRVOXIHCE-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000563713470 491264686 /nfs/dbraw/zinc/26/46/86/491264686.db2.gz GZLYPAKXZKETQZ-OAHLLOKOSA-N 2 1 350.507 0.825 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427069779 489593210 /nfs/dbraw/zinc/59/32/10/489593210.db2.gz NQRWZRPMVHMBTJ-UHFFFAOYSA-N 2 1 364.494 0.936 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000555730023 491268110 /nfs/dbraw/zinc/26/81/10/491268110.db2.gz BZWKXZUTFJEUJQ-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000555730023 491268111 /nfs/dbraw/zinc/26/81/11/491268111.db2.gz BZWKXZUTFJEUJQ-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1)N1CCCC1 ZINC000427264982 489599706 /nfs/dbraw/zinc/59/97/06/489599706.db2.gz KRGPNJJIYRCMSF-KRWDZBQOSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1)N1CCCC1 ZINC000427264982 489599710 /nfs/dbraw/zinc/59/97/10/489599710.db2.gz KRGPNJJIYRCMSF-KRWDZBQOSA-N 2 1 350.507 0.923 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000555730023 491268114 /nfs/dbraw/zinc/26/81/14/491268114.db2.gz BZWKXZUTFJEUJQ-QGZVFWFLSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000555697871 491266479 /nfs/dbraw/zinc/26/64/79/491266479.db2.gz BCLHTYAHOVMSNS-ROUUACIJSA-N 2 1 360.502 0.876 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000555697872 491266541 /nfs/dbraw/zinc/26/65/41/491266541.db2.gz BCLHTYAHOVMSNS-ZWKOTPCHSA-N 2 1 360.502 0.876 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000416857126 489632007 /nfs/dbraw/zinc/63/20/07/489632007.db2.gz XVJCFPIPVYECRB-GOEBONIOSA-N 2 1 350.463 0.976 20 0 FCADMP COCC1(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000416933047 489634357 /nfs/dbraw/zinc/63/43/57/489634357.db2.gz ABAUBASEIVBSBV-INIZCTEOSA-N 2 1 356.511 0.659 20 0 FCADMP COC[C@]1(CNC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000416957881 489636174 /nfs/dbraw/zinc/63/61/74/489636174.db2.gz OKSBEKJBZSRSDP-FUHWJXTLSA-N 2 1 355.527 0.326 20 0 FCADMP COCC1(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000416966384 489637230 /nfs/dbraw/zinc/63/72/30/489637230.db2.gz YEYBECUCXMNSSR-QGZVFWFLSA-N 2 1 369.554 0.574 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417005840 489638033 /nfs/dbraw/zinc/63/80/33/489638033.db2.gz YUBNZRWFOYWQFI-UHFFFAOYSA-N 2 1 353.511 0.762 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000417013657 489638511 /nfs/dbraw/zinc/63/85/11/489638511.db2.gz CXXPNGUXPGVCNO-HCXYKTFWSA-N 2 1 357.502 0.882 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000417013657 489638513 /nfs/dbraw/zinc/63/85/13/489638513.db2.gz CXXPNGUXPGVCNO-HCXYKTFWSA-N 2 1 357.502 0.882 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000417013657 489638516 /nfs/dbraw/zinc/63/85/16/489638516.db2.gz CXXPNGUXPGVCNO-HCXYKTFWSA-N 2 1 357.502 0.882 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000417049936 489639950 /nfs/dbraw/zinc/63/99/50/489639950.db2.gz IEMRYKLWISEEBD-USXIJHARSA-N 2 1 365.522 0.746 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417050694 489640163 /nfs/dbraw/zinc/64/01/63/489640163.db2.gz LBNPLLXMCORVKF-ZBFHGGJFSA-N 2 1 353.511 0.888 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000417118066 489642177 /nfs/dbraw/zinc/64/21/77/489642177.db2.gz SZWNCGNETQZGFS-IYBDPMFKSA-N 2 1 364.490 0.758 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000417118066 489642178 /nfs/dbraw/zinc/64/21/78/489642178.db2.gz SZWNCGNETQZGFS-IYBDPMFKSA-N 2 1 364.490 0.758 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457509473 489647491 /nfs/dbraw/zinc/64/74/91/489647491.db2.gz DKOQLAQDFIXODB-OAHLLOKOSA-N 2 1 350.507 0.955 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000372884645 489647914 /nfs/dbraw/zinc/64/79/14/489647914.db2.gz UGQCHDFBUNUCSM-QGZVFWFLSA-N 2 1 365.522 0.524 20 0 FCADMP C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000417363657 489649626 /nfs/dbraw/zinc/64/96/26/489649626.db2.gz GIRLMUTVEBCSSN-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000555731197 491268795 /nfs/dbraw/zinc/26/87/95/491268795.db2.gz PWFNHYCUNNAPRV-IRXDYDNUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000555731197 491268798 /nfs/dbraw/zinc/26/87/98/491268798.db2.gz PWFNHYCUNNAPRV-IRXDYDNUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000555731197 491268801 /nfs/dbraw/zinc/26/88/01/491268801.db2.gz PWFNHYCUNNAPRV-IRXDYDNUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000555731197 491268803 /nfs/dbraw/zinc/26/88/03/491268803.db2.gz PWFNHYCUNNAPRV-IRXDYDNUSA-N 2 1 368.522 0.258 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417378731 489650345 /nfs/dbraw/zinc/65/03/45/489650345.db2.gz FLONJCJIWGZKDB-ROUUACIJSA-N 2 1 372.517 0.845 20 0 FCADMP C[NH2+][C@H]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417379118 489650448 /nfs/dbraw/zinc/65/04/48/489650448.db2.gz FYAQKDBRXMVVJO-KRWDZBQOSA-N 2 1 360.506 0.987 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)N1CCOCC1 ZINC000457610547 489651774 /nfs/dbraw/zinc/65/17/74/489651774.db2.gz UTBOPSOEODDCNK-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457610547 489651779 /nfs/dbraw/zinc/65/17/79/489651779.db2.gz UTBOPSOEODDCNK-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417430599 489652371 /nfs/dbraw/zinc/65/23/71/489652371.db2.gz PNORHNRMBHCQRU-OWCLPIDISA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000457629970 489652816 /nfs/dbraw/zinc/65/28/16/489652816.db2.gz CBMSYMLIOSUKCT-IYBDPMFKSA-N 2 1 355.527 0.109 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417430600 489652888 /nfs/dbraw/zinc/65/28/88/489652888.db2.gz PNORHNRMBHCQRU-PMPSAXMXSA-N 2 1 351.495 0.465 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000417427975 489652958 /nfs/dbraw/zinc/65/29/58/489652958.db2.gz KBOHSVGPCLBLBE-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000555731195 491269086 /nfs/dbraw/zinc/26/90/86/491269086.db2.gz PWFNHYCUNNAPRV-DLBZAZTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000555731195 491269088 /nfs/dbraw/zinc/26/90/88/491269088.db2.gz PWFNHYCUNNAPRV-DLBZAZTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000555731195 491269091 /nfs/dbraw/zinc/26/90/91/491269091.db2.gz PWFNHYCUNNAPRV-DLBZAZTESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000555731195 491269092 /nfs/dbraw/zinc/26/90/92/491269092.db2.gz PWFNHYCUNNAPRV-DLBZAZTESA-N 2 1 368.522 0.258 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417449957 489655047 /nfs/dbraw/zinc/65/50/47/489655047.db2.gz YYQYXNXCVJLDPL-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000417506543 489656151 /nfs/dbraw/zinc/65/61/51/489656151.db2.gz MAFVRLTVSVDQPX-INIZCTEOSA-N 2 1 353.511 0.890 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511057 489656967 /nfs/dbraw/zinc/65/69/67/489656967.db2.gz YCZSIBRFKWKZQV-RBUKOAKNSA-N 2 1 359.518 0.754 20 0 FCADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417548609 489658039 /nfs/dbraw/zinc/65/80/39/489658039.db2.gz RCPODZONOXUCDZ-SJORKVTESA-N 2 1 361.490 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551628 489658072 /nfs/dbraw/zinc/65/80/72/489658072.db2.gz OEVKURMRZVQKKC-CVEARBPZSA-N 2 1 353.511 0.603 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417582424 489659159 /nfs/dbraw/zinc/65/91/59/489659159.db2.gz IAUWCVFCIGADGA-HZPDHXFCSA-N 2 1 353.511 0.890 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H]1CC[NH2+]C1)CC2 ZINC000417665205 489661231 /nfs/dbraw/zinc/66/12/31/489661231.db2.gz BSKIYFXDLIRBJP-CQSZACIVSA-N 2 1 362.474 0.971 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH2+]C1)CC2 ZINC000417665205 489661233 /nfs/dbraw/zinc/66/12/33/489661233.db2.gz BSKIYFXDLIRBJP-CQSZACIVSA-N 2 1 362.474 0.971 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417745613 489663849 /nfs/dbraw/zinc/66/38/49/489663849.db2.gz OGRNJZIJOFOGAA-QFBILLFUSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417864013 489669111 /nfs/dbraw/zinc/66/91/11/489669111.db2.gz AWQRFEUMTISDOG-FVQBIDKESA-N 2 1 351.495 0.498 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000418002141 489674957 /nfs/dbraw/zinc/67/49/57/489674957.db2.gz LRGPJIPSPDYWSB-PMPSAXMXSA-N 2 1 351.495 0.323 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408406 489680849 /nfs/dbraw/zinc/68/08/49/489680849.db2.gz DKCOGEXCZKMPMX-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408406 489680852 /nfs/dbraw/zinc/68/08/52/489680852.db2.gz DKCOGEXCZKMPMX-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458408406 489680854 /nfs/dbraw/zinc/68/08/54/489680854.db2.gz DKCOGEXCZKMPMX-CVEARBPZSA-N 2 1 353.511 0.605 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+](C2CC2)C1 ZINC000458404020 489681251 /nfs/dbraw/zinc/68/12/51/489681251.db2.gz AXTWBOFJGANIIY-JKSUJKDBSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404020 489681255 /nfs/dbraw/zinc/68/12/55/489681255.db2.gz AXTWBOFJGANIIY-JKSUJKDBSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404020 489681256 /nfs/dbraw/zinc/68/12/56/489681256.db2.gz AXTWBOFJGANIIY-JKSUJKDBSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+](C2CC2)C1 ZINC000458404015 489681333 /nfs/dbraw/zinc/68/13/33/489681333.db2.gz AXTWBOFJGANIIY-CVEARBPZSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404015 489681335 /nfs/dbraw/zinc/68/13/35/489681335.db2.gz AXTWBOFJGANIIY-CVEARBPZSA-N 2 1 365.522 0.700 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+](C2CC2)C1 ZINC000458404015 489681336 /nfs/dbraw/zinc/68/13/36/489681336.db2.gz AXTWBOFJGANIIY-CVEARBPZSA-N 2 1 365.522 0.700 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000458406341 489681343 /nfs/dbraw/zinc/68/13/43/489681343.db2.gz CBKPRFWMAMNKCG-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458406341 489681344 /nfs/dbraw/zinc/68/13/44/489681344.db2.gz CBKPRFWMAMNKCG-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458406341 489681345 /nfs/dbraw/zinc/68/13/45/489681345.db2.gz CBKPRFWMAMNKCG-CVEARBPZSA-N 2 1 353.511 0.700 20 0 FCADMP C[NH+](C)CCCC(C)(C)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000458427134 489682600 /nfs/dbraw/zinc/68/26/00/489682600.db2.gz NUIQSXXIHRQBHZ-HNNXBMFYSA-N 2 1 355.527 0.993 20 0 FCADMP CCCC[C@@H](C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000418184365 489683412 /nfs/dbraw/zinc/68/34/12/489683412.db2.gz QTVNWUKOJXDTHF-HNSVSWJLSA-N 2 1 353.511 0.887 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000418189196 489683541 /nfs/dbraw/zinc/68/35/41/489683541.db2.gz VBZRCQJBFYZJMK-OWSLCNJRSA-N 2 1 362.474 0.328 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000418189196 489683543 /nfs/dbraw/zinc/68/35/43/489683543.db2.gz VBZRCQJBFYZJMK-OWSLCNJRSA-N 2 1 362.474 0.328 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461432 489684181 /nfs/dbraw/zinc/68/41/81/489684181.db2.gz PHNLNJXNVMFVST-MSOLQXFVSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458461432 489684183 /nfs/dbraw/zinc/68/41/83/489684183.db2.gz PHNLNJXNVMFVST-MSOLQXFVSA-N 2 1 369.554 0.406 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458461432 489684186 /nfs/dbraw/zinc/68/41/86/489684186.db2.gz PHNLNJXNVMFVST-MSOLQXFVSA-N 2 1 369.554 0.406 20 0 FCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418190962 489684363 /nfs/dbraw/zinc/68/43/63/489684363.db2.gz XAXUWWFTYTWXRP-KBPBESRZSA-N 2 1 365.444 0.996 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH2+]CCOC)[C@@H]1c1ccccc1 ZINC000418193806 489684478 /nfs/dbraw/zinc/68/44/78/489684478.db2.gz ZXCRGWYFSCUIQA-ROUUACIJSA-N 2 1 364.490 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NCC[NH2+]CCOC)[C@@H]1c1ccccc1 ZINC000418193806 489684480 /nfs/dbraw/zinc/68/44/80/489684480.db2.gz ZXCRGWYFSCUIQA-ROUUACIJSA-N 2 1 364.490 0.984 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212071 489685013 /nfs/dbraw/zinc/68/50/13/489685013.db2.gz ZJRLCNDDAVFJMR-SJORKVTESA-N 2 1 367.538 0.960 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418205921 489685072 /nfs/dbraw/zinc/68/50/72/489685072.db2.gz ZVGYIWLORUJOGF-IRXDYDNUSA-N 2 1 367.538 0.960 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000418285711 489688346 /nfs/dbraw/zinc/68/83/46/489688346.db2.gz XBRJESKYJXFNGR-INIZCTEOSA-N 2 1 356.511 0.883 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000458704064 489696919 /nfs/dbraw/zinc/69/69/19/489696919.db2.gz WVLYHLSHOUKLJK-GOSISDBHSA-N 2 1 364.490 0.283 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418482709 489701303 /nfs/dbraw/zinc/70/13/03/489701303.db2.gz BISVCOXPKBTFNJ-ZWKOTPCHSA-N 2 1 364.490 0.405 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418483390 489701719 /nfs/dbraw/zinc/70/17/19/489701719.db2.gz CDDCJSZXIWYGKP-QZTJIDSGSA-N 2 1 364.490 0.405 20 0 FCADMP CSC1(CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC[NH+](C)CC1 ZINC000458788622 489703115 /nfs/dbraw/zinc/70/31/15/489703115.db2.gz LZJBEWDSHOKEQT-OAHLLOKOSA-N 2 1 358.552 0.960 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418572562 489708006 /nfs/dbraw/zinc/70/80/06/489708006.db2.gz FDLJPVYSMFUPGG-CVEARBPZSA-N 2 1 353.511 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418572562 489708008 /nfs/dbraw/zinc/70/80/08/489708008.db2.gz FDLJPVYSMFUPGG-CVEARBPZSA-N 2 1 353.511 0.842 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)CC1 ZINC000459041118 489716278 /nfs/dbraw/zinc/71/62/78/489716278.db2.gz NDFNRWYVJITGHM-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000469659592 489719048 /nfs/dbraw/zinc/71/90/48/489719048.db2.gz HGAUCPJUFMVOMF-UHFFFAOYSA-N 2 1 352.483 0.894 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418776073 489726177 /nfs/dbraw/zinc/72/61/77/489726177.db2.gz XAVQDODLNJOQPM-ZDUSSCGKSA-N 2 1 368.400 0.271 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786732 489726961 /nfs/dbraw/zinc/72/69/61/489726961.db2.gz JFGSEUJJUGETKH-BZSNNMDCSA-N 2 1 362.474 0.300 20 0 FCADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000430289270 489729324 /nfs/dbraw/zinc/72/93/24/489729324.db2.gz MECQULVQYUTCAG-CYBMUJFWSA-N 2 1 353.385 0.478 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459379926 489730222 /nfs/dbraw/zinc/73/02/22/489730222.db2.gz YOHDUDXEHNVEEA-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418812716 489734696 /nfs/dbraw/zinc/73/46/96/489734696.db2.gz IWBUARMBKPWCLP-RHSMWYFYSA-N 2 1 361.490 0.934 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418825661 489741487 /nfs/dbraw/zinc/74/14/87/489741487.db2.gz AOJXSRCOKMLZRI-ZBFHGGJFSA-N 2 1 362.474 0.530 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418827828 489742557 /nfs/dbraw/zinc/74/25/57/489742557.db2.gz HGLBBZACNFELGO-HZPDHXFCSA-N 2 1 366.506 0.333 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418831255 489744370 /nfs/dbraw/zinc/74/43/70/489744370.db2.gz KRIHTVLLZPFKIX-GOSISDBHSA-N 2 1 366.506 0.335 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000418831422 489744572 /nfs/dbraw/zinc/74/45/72/489744572.db2.gz GGWCOEGMGLDAEH-IMJJTQAJSA-N 2 1 362.474 0.610 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576766 489748044 /nfs/dbraw/zinc/74/80/44/489748044.db2.gz XOGLKEBPEHFTDP-QWHCGFSZSA-N 2 1 354.476 0.722 20 0 FCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418836614 489748333 /nfs/dbraw/zinc/74/83/33/489748333.db2.gz RRNALTWVQJBCBH-UHFFFAOYSA-N 2 1 366.506 0.396 20 0 FCADMP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600326 489750199 /nfs/dbraw/zinc/75/01/99/489750199.db2.gz HLVXVYYIGDZFCE-ZFWWWQNUSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000430607218 489752592 /nfs/dbraw/zinc/75/25/92/489752592.db2.gz BOCHNGUTYSVXDM-VQIMIIECSA-N 2 1 360.502 0.947 20 0 FCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418842000 489752779 /nfs/dbraw/zinc/75/27/79/489752779.db2.gz ZLFQSQAGPAWCHE-UHFFFAOYSA-N 2 1 364.490 0.174 20 0 FCADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000430618213 489755090 /nfs/dbraw/zinc/75/50/90/489755090.db2.gz RWDRFAAHMNHXAD-WBVHZDCISA-N 2 1 362.518 0.920 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000418850042 489755265 /nfs/dbraw/zinc/75/52/65/489755265.db2.gz NLLOLWXKIFRPSG-LSDHHAIUSA-N 2 1 350.463 0.514 20 0 FCADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620866 489756083 /nfs/dbraw/zinc/75/60/83/489756083.db2.gz IKIQKWQGZQREMQ-HOCLYGCPSA-N 2 1 364.465 0.960 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000430623526 489756147 /nfs/dbraw/zinc/75/61/47/489756147.db2.gz HBVWXPGFDPBLMB-INIZCTEOSA-N 2 1 358.486 0.621 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000418851914 489756660 /nfs/dbraw/zinc/75/66/60/489756660.db2.gz QEWNUFUETUPRHD-GDBMZVCRSA-N 2 1 362.474 0.625 20 0 FCADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430627941 489757304 /nfs/dbraw/zinc/75/73/04/489757304.db2.gz OAXUROXWZRYFIU-GOSISDBHSA-N 2 1 358.486 0.755 20 0 FCADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626995 489757639 /nfs/dbraw/zinc/75/76/39/489757639.db2.gz LPHMBEUTJFDROA-INIZCTEOSA-N 2 1 362.474 0.441 20 0 FCADMP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430624956 489757757 /nfs/dbraw/zinc/75/77/57/489757757.db2.gz JPVXGATYFNCYQC-INIZCTEOSA-N 2 1 362.474 0.488 20 0 FCADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430627942 489758003 /nfs/dbraw/zinc/75/80/03/489758003.db2.gz OAXUROXWZRYFIU-SFHVURJKSA-N 2 1 358.486 0.755 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000418853922 489758699 /nfs/dbraw/zinc/75/86/99/489758699.db2.gz SQGLZOMKWMOVPG-LLLHUVSDSA-N 2 1 374.485 0.610 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000418855426 489759222 /nfs/dbraw/zinc/75/92/22/489759222.db2.gz DHCQIIKSGONBEP-CVEARBPZSA-N 2 1 368.522 0.579 20 0 FCADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430634029 489759520 /nfs/dbraw/zinc/75/95/20/489759520.db2.gz QRUWBDGATGYQSV-MRXNPFEDSA-N 2 1 362.474 0.277 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000418855525 489759583 /nfs/dbraw/zinc/75/95/83/489759583.db2.gz UWMFMPRAOUNVOD-FMKPAKJESA-N 2 1 362.474 0.623 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418855527 489759700 /nfs/dbraw/zinc/75/97/00/489759700.db2.gz UWMFMPRAOUNVOD-YCPHGPKFSA-N 2 1 362.474 0.623 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000418857296 489760555 /nfs/dbraw/zinc/76/05/55/489760555.db2.gz YRCXRMGFYDHOJJ-INIZCTEOSA-N 2 1 360.458 0.450 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418861140 489762415 /nfs/dbraw/zinc/76/24/15/489762415.db2.gz MQTJVJYTGRMFEH-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430654683 489763071 /nfs/dbraw/zinc/76/30/71/489763071.db2.gz QQDANQGTZVVCJD-AWEZNQCLSA-N 2 1 366.437 0.108 20 0 FCADMP O=C([C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1)N1CC[NH2+]CC1 ZINC000430656717 489763336 /nfs/dbraw/zinc/76/33/36/489763336.db2.gz ULMLLXDCWVGXOX-ZDUSSCGKSA-N 2 1 361.471 0.400 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663116 489764104 /nfs/dbraw/zinc/76/41/04/489764104.db2.gz JRPXROVLBJGORW-KBPBESRZSA-N 2 1 367.494 0.143 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418865337 489764905 /nfs/dbraw/zinc/76/49/05/489764905.db2.gz RKLGGUKUUVFWHH-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376640130 489765940 /nfs/dbraw/zinc/76/59/40/489765940.db2.gz MQYWLVVHJMVZBZ-GOEBONIOSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000418874527 489769108 /nfs/dbraw/zinc/76/91/08/489769108.db2.gz ZYVWTTYIAWOXNA-HOTGVXAUSA-N 2 1 368.522 0.498 20 0 FCADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000418875037 489770016 /nfs/dbraw/zinc/77/00/16/489770016.db2.gz CLGOKYFARRKBAG-CVEARBPZSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418877446 489771522 /nfs/dbraw/zinc/77/15/22/489771522.db2.gz IYEKTAUQENFMGN-BZUAXINKSA-N 2 1 354.495 0.332 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418879949 489771919 /nfs/dbraw/zinc/77/19/19/489771919.db2.gz OFWMGQWICXTCLM-JKSUJKDBSA-N 2 1 356.511 0.435 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418881707 489773788 /nfs/dbraw/zinc/77/37/88/489773788.db2.gz RNLUPBUESNESPF-UXLLHSPISA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000459870237 489775229 /nfs/dbraw/zinc/77/52/29/489775229.db2.gz QZDZYNRWGKBYOO-SFHVURJKSA-N 2 1 364.534 0.977 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000459870237 489775234 /nfs/dbraw/zinc/77/52/34/489775234.db2.gz QZDZYNRWGKBYOO-SFHVURJKSA-N 2 1 364.534 0.977 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000490640956 489777983 /nfs/dbraw/zinc/77/79/83/489777983.db2.gz OBMPFDKYWTUUSW-HOTGVXAUSA-N 2 1 356.511 0.584 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430933352 489779893 /nfs/dbraw/zinc/77/98/93/489779893.db2.gz HXYRGFTXABJSJF-AVGNSLFASA-N 2 1 354.476 0.180 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430933352 489779898 /nfs/dbraw/zinc/77/98/98/489779898.db2.gz HXYRGFTXABJSJF-AVGNSLFASA-N 2 1 354.476 0.180 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000459885554 489780874 /nfs/dbraw/zinc/78/08/74/489780874.db2.gz MEDGOWMLUHBXOI-MOPGFXCFSA-N 2 1 370.497 0.883 20 0 FCADMP C[C@@]1(n2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cn2)CCS(=O)(=O)C1 ZINC000430947470 489780866 /nfs/dbraw/zinc/78/08/66/489780866.db2.gz BCYNSSNKNLOYJV-MRXNPFEDSA-N 2 1 352.504 0.992 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000459885554 489780878 /nfs/dbraw/zinc/78/08/78/489780878.db2.gz MEDGOWMLUHBXOI-MOPGFXCFSA-N 2 1 370.497 0.883 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000459885554 489780882 /nfs/dbraw/zinc/78/08/82/489780882.db2.gz MEDGOWMLUHBXOI-MOPGFXCFSA-N 2 1 370.497 0.883 20 0 FCADMP O=C(COC1C[NH2+]C1)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000431004833 489784169 /nfs/dbraw/zinc/78/41/69/489784169.db2.gz KMFYFQBKDCSEGR-UHFFFAOYSA-N 2 1 360.502 0.689 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000431057851 489787593 /nfs/dbraw/zinc/78/75/93/489787593.db2.gz JZSLWTRNBNENNZ-MRXNPFEDSA-N 2 1 363.458 0.557 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000431057851 489787599 /nfs/dbraw/zinc/78/75/99/489787599.db2.gz JZSLWTRNBNENNZ-MRXNPFEDSA-N 2 1 363.458 0.557 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000418929725 489794100 /nfs/dbraw/zinc/79/41/00/489794100.db2.gz WYMKGCCBZTUIBC-INIZCTEOSA-N 2 1 366.506 0.062 20 0 FCADMP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000418928692 489794403 /nfs/dbraw/zinc/79/44/03/489794403.db2.gz VGMJCLIDQDGDRK-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000459923720 489795524 /nfs/dbraw/zinc/79/55/24/489795524.db2.gz UCVBJVOQOZSLDS-KRWDZBQOSA-N 2 1 366.506 0.111 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418952948 489802685 /nfs/dbraw/zinc/80/26/85/489802685.db2.gz ZBWUFHBULBTOEV-RCCFBDPRSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000418955611 489803806 /nfs/dbraw/zinc/80/38/06/489803806.db2.gz XZJMDZNRMSLZHW-NJAFHUGGSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000555895870 491280250 /nfs/dbraw/zinc/28/02/50/491280250.db2.gz DHNQSVINFZEOQH-AWEZNQCLSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000555895870 491280253 /nfs/dbraw/zinc/28/02/53/491280253.db2.gz DHNQSVINFZEOQH-AWEZNQCLSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000459995390 489812260 /nfs/dbraw/zinc/81/22/60/489812260.db2.gz NRIHQXNKPOHKKL-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000459995390 489812263 /nfs/dbraw/zinc/81/22/63/489812263.db2.gz NRIHQXNKPOHKKL-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995390 489812267 /nfs/dbraw/zinc/81/22/67/489812267.db2.gz NRIHQXNKPOHKKL-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000459995390 489812272 /nfs/dbraw/zinc/81/22/72/489812272.db2.gz NRIHQXNKPOHKKL-HZPDHXFCSA-N 2 1 368.522 0.090 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459997184 489813140 /nfs/dbraw/zinc/81/31/40/489813140.db2.gz SIZNQBWBISPAKX-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419015874 489818757 /nfs/dbraw/zinc/81/87/57/489818757.db2.gz FJJIJAMQNXWAPM-MSOLQXFVSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419032479 489826295 /nfs/dbraw/zinc/82/62/95/489826295.db2.gz WSLLEYCRXWPPQK-YVSFHVDLSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419031979 489826473 /nfs/dbraw/zinc/82/64/73/489826473.db2.gz VXBHULWHPPHBRB-CYJAXWMASA-N 2 1 352.523 0.975 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419034032 489827042 /nfs/dbraw/zinc/82/70/42/489827042.db2.gz YYIVQSXTFXNRSP-LSDHHAIUSA-N 2 1 354.495 0.108 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000419043469 489831955 /nfs/dbraw/zinc/83/19/55/489831955.db2.gz REDDMEOMNCSGNW-BRWVUGGUSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CC[NH+](C)CC1 ZINC000492686257 489834662 /nfs/dbraw/zinc/83/46/62/489834662.db2.gz YMYHHYSQVYEVCY-CEXWTWQISA-N 2 1 365.566 0.639 20 0 FCADMP C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CC[NH+](C)CC1 ZINC000492686257 489834666 /nfs/dbraw/zinc/83/46/66/489834666.db2.gz YMYHHYSQVYEVCY-CEXWTWQISA-N 2 1 365.566 0.639 20 0 FCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000492805981 489837050 /nfs/dbraw/zinc/83/70/50/489837050.db2.gz HDVXTVZZILQJCT-SFHVURJKSA-N 2 1 360.502 0.676 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000492805981 489837053 /nfs/dbraw/zinc/83/70/53/489837053.db2.gz HDVXTVZZILQJCT-SFHVURJKSA-N 2 1 360.502 0.676 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419057961 489838412 /nfs/dbraw/zinc/83/84/12/489838412.db2.gz AZJDNLRFPPEPMJ-LXTVHRRPSA-N 2 1 354.495 0.234 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419057961 489838414 /nfs/dbraw/zinc/83/84/14/489838414.db2.gz AZJDNLRFPPEPMJ-LXTVHRRPSA-N 2 1 354.495 0.234 20 0 FCADMP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419057394 489838469 /nfs/dbraw/zinc/83/84/69/489838469.db2.gz AAOBORVIJZGNJV-HRCADAONSA-N 2 1 368.522 0.591 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419065393 489841856 /nfs/dbraw/zinc/84/18/56/489841856.db2.gz DHYADSMVFXAMIC-MAUKXSAKSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419065393 489841861 /nfs/dbraw/zinc/84/18/61/489841861.db2.gz DHYADSMVFXAMIC-MAUKXSAKSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066085 489841981 /nfs/dbraw/zinc/84/19/81/489841981.db2.gz DYYPRASLEANNNW-QAPCUYQASA-N 2 1 374.485 0.392 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000419066085 489841987 /nfs/dbraw/zinc/84/19/87/489841987.db2.gz DYYPRASLEANNNW-QAPCUYQASA-N 2 1 374.485 0.392 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000460076280 489844948 /nfs/dbraw/zinc/84/49/48/489844948.db2.gz NHACPULKCPGXSS-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1CCCCCC1 ZINC000432523445 489845032 /nfs/dbraw/zinc/84/50/32/489845032.db2.gz NHHJYLUXLGCFFK-GOSISDBHSA-N 2 1 354.539 0.757 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419073857 489846305 /nfs/dbraw/zinc/84/63/05/489846305.db2.gz CXUKXUBKWHPTPE-PMPSAXMXSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419083467 489850214 /nfs/dbraw/zinc/85/02/14/489850214.db2.gz KDWJXIUZNYTDGT-CAOSSQGBSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419083467 489850218 /nfs/dbraw/zinc/85/02/18/489850218.db2.gz KDWJXIUZNYTDGT-CAOSSQGBSA-N 2 1 368.522 0.576 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000555920181 491283027 /nfs/dbraw/zinc/28/30/27/491283027.db2.gz CIPGXKFQQMOQDV-IRXDYDNUSA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920181 491283032 /nfs/dbraw/zinc/28/30/32/491283032.db2.gz CIPGXKFQQMOQDV-IRXDYDNUSA-N 2 1 369.554 0.221 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000555920181 491283034 /nfs/dbraw/zinc/28/30/34/491283034.db2.gz CIPGXKFQQMOQDV-IRXDYDNUSA-N 2 1 369.554 0.221 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000419086398 489851737 /nfs/dbraw/zinc/85/17/37/489851737.db2.gz OAURRMFXFOZYSK-HBUWYVDXSA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419090643 489852425 /nfs/dbraw/zinc/85/24/25/489852425.db2.gz VDHMYORGMJUWQM-SPYBWZPUSA-N 2 1 368.522 0.496 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419114031 489860975 /nfs/dbraw/zinc/86/09/75/489860975.db2.gz HLGBFLYZSGVBTF-BMFZPTHFSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993326 489875889 /nfs/dbraw/zinc/87/58/89/489875889.db2.gz FBRGOAMOFKOWJA-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993317 489875985 /nfs/dbraw/zinc/87/59/85/489875985.db2.gz FBRGOAMOFKOWJA-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420001513 489877964 /nfs/dbraw/zinc/87/79/64/489877964.db2.gz QBPROOAAHIYHHK-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420001513 489877967 /nfs/dbraw/zinc/87/79/67/489877967.db2.gz QBPROOAAHIYHHK-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000420008577 489879943 /nfs/dbraw/zinc/87/99/43/489879943.db2.gz UPGSAIRCYBMDID-UZLBHIALSA-N 2 1 358.486 0.965 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000433373816 489879971 /nfs/dbraw/zinc/87/99/71/489879971.db2.gz LCUFIBPYTPKUID-FHWLQOOXSA-N 2 1 357.502 0.923 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000433373816 489879975 /nfs/dbraw/zinc/87/99/75/489879975.db2.gz LCUFIBPYTPKUID-FHWLQOOXSA-N 2 1 357.502 0.923 20 0 FCADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000433373816 489879980 /nfs/dbraw/zinc/87/99/80/489879980.db2.gz LCUFIBPYTPKUID-FHWLQOOXSA-N 2 1 357.502 0.923 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019205 489882137 /nfs/dbraw/zinc/88/21/37/489882137.db2.gz ZXDAUMISLZTCQQ-PVAVHDDUSA-N 2 1 367.538 0.245 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433420890 489882654 /nfs/dbraw/zinc/88/26/54/489882654.db2.gz GZHQMYHGRDRXHR-GJZGRUSLSA-N 2 1 350.467 0.289 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420023538 489883918 /nfs/dbraw/zinc/88/39/18/489883918.db2.gz APYFMTBDZPXELU-RRFJBIMHSA-N 2 1 354.495 0.310 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420066650 489901364 /nfs/dbraw/zinc/90/13/64/489901364.db2.gz RPHQKGBOESPDND-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420067700 489901548 /nfs/dbraw/zinc/90/15/48/489901548.db2.gz SUNITWAHYTWIPI-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+](Cc1cccc(C[N@H+](C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000461387884 489907090 /nfs/dbraw/zinc/90/70/90/489907090.db2.gz SYTWFLOAQFOUSX-PMACEKPBSA-N 2 1 364.486 0.853 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000420156283 489934811 /nfs/dbraw/zinc/93/48/11/489934811.db2.gz FKCQYRTZUIHUCL-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000420156283 489934813 /nfs/dbraw/zinc/93/48/13/489934813.db2.gz FKCQYRTZUIHUCL-GJZGRUSLSA-N 2 1 368.522 0.184 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420167684 489938142 /nfs/dbraw/zinc/93/81/42/489938142.db2.gz PPQYOFVMZMYKOP-INIZCTEOSA-N 2 1 368.522 0.186 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000420187461 489944978 /nfs/dbraw/zinc/94/49/78/489944978.db2.gz RJQYUFNLNALNFN-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000564124828 491290067 /nfs/dbraw/zinc/29/00/67/491290067.db2.gz BFHFYYAHPLGHGP-VYDXJSESSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000564124828 491290069 /nfs/dbraw/zinc/29/00/69/491290069.db2.gz BFHFYYAHPLGHGP-VYDXJSESSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420201440 489950144 /nfs/dbraw/zinc/95/01/44/489950144.db2.gz OQMCHBWPUVSMHB-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420201440 489950148 /nfs/dbraw/zinc/95/01/48/489950148.db2.gz OQMCHBWPUVSMHB-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377806908 489960507 /nfs/dbraw/zinc/96/05/07/489960507.db2.gz LEBKDKLTMQVCIY-ZWKOTPCHSA-N 2 1 372.517 0.741 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(=O)N1CCCCC1 ZINC000420335486 489964504 /nfs/dbraw/zinc/96/45/04/489964504.db2.gz VARKIGSUCHJCBR-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000420380338 489969963 /nfs/dbraw/zinc/96/99/63/489969963.db2.gz NWYZXRKTLHNMSO-QGZVFWFLSA-N 2 1 360.437 0.872 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000420380338 489969966 /nfs/dbraw/zinc/96/99/66/489969966.db2.gz NWYZXRKTLHNMSO-QGZVFWFLSA-N 2 1 360.437 0.872 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477639157 489979950 /nfs/dbraw/zinc/97/99/50/489979950.db2.gz DVWDIJHYJAIKGX-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000377986319 489992063 /nfs/dbraw/zinc/99/20/63/489992063.db2.gz ADFITPJOLWSISK-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000377986319 489992066 /nfs/dbraw/zinc/99/20/66/489992066.db2.gz ADFITPJOLWSISK-MSOLQXFVSA-N 2 1 367.538 0.376 20 0 FCADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]12 ZINC000435380517 490000091 /nfs/dbraw/zinc/00/00/91/490000091.db2.gz OMDYOQLBVMRNDN-BHYGNILZSA-N 2 1 365.499 0.877 20 0 FCADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]12 ZINC000435380517 490000094 /nfs/dbraw/zinc/00/00/94/490000094.db2.gz OMDYOQLBVMRNDN-BHYGNILZSA-N 2 1 365.499 0.877 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000478686388 490031618 /nfs/dbraw/zinc/03/16/18/490031618.db2.gz IUOFJKLJWYJAEB-KRWDZBQOSA-N 2 1 361.490 0.091 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973307 490034611 /nfs/dbraw/zinc/03/46/11/490034611.db2.gz YUWQNSPDXAHITC-HUUCEWRRSA-N 2 1 351.499 0.934 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973306 490035013 /nfs/dbraw/zinc/03/50/13/490035013.db2.gz YUWQNSPDXAHITC-GJZGRUSLSA-N 2 1 351.499 0.934 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000478794116 490037669 /nfs/dbraw/zinc/03/76/69/490037669.db2.gz HGYZPKYFMUDJLO-JKSUJKDBSA-N 2 1 355.527 0.109 20 0 FCADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)CC2)CC1 ZINC000420977404 490038803 /nfs/dbraw/zinc/03/88/03/490038803.db2.gz IBEUSDIYOLLVLM-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000378323682 490050215 /nfs/dbraw/zinc/05/02/15/490050215.db2.gz NDUHOMNVTMLOQD-OAHLLOKOSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000556122369 491296684 /nfs/dbraw/zinc/29/66/84/491296684.db2.gz CXTXYSJQWBZPIW-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000556122369 491296686 /nfs/dbraw/zinc/29/66/86/491296686.db2.gz CXTXYSJQWBZPIW-IYBDPMFKSA-N 2 1 370.563 0.636 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000571270797 491296827 /nfs/dbraw/zinc/29/68/27/491296827.db2.gz ZFDHDGUJRFRSAH-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000571270797 491296828 /nfs/dbraw/zinc/29/68/28/491296828.db2.gz ZFDHDGUJRFRSAH-OAHLLOKOSA-N 2 1 368.522 0.138 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000491062796 490075304 /nfs/dbraw/zinc/07/53/04/490075304.db2.gz XBSQYMAFGMLWIW-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000491062796 490075309 /nfs/dbraw/zinc/07/53/09/490075309.db2.gz XBSQYMAFGMLWIW-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP CC[NH+](CC)CCOC1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000465035573 490075971 /nfs/dbraw/zinc/07/59/71/490075971.db2.gz LTOJIUZEMIOYRG-QGZVFWFLSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCOC1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000465035572 490076345 /nfs/dbraw/zinc/07/63/45/490076345.db2.gz LTOJIUZEMIOYRG-KRWDZBQOSA-N 2 1 368.522 0.498 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)COCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421704359 490100124 /nfs/dbraw/zinc/10/01/24/490100124.db2.gz ONVJOJNPFVUNIT-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000571307343 491299778 /nfs/dbraw/zinc/29/97/78/491299778.db2.gz WCSKQQUEVFYVDU-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000520216844 490117063 /nfs/dbraw/zinc/11/70/63/490117063.db2.gz MSJUZJJHCBAZJZ-RCCFBDPRSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000520216841 490117108 /nfs/dbraw/zinc/11/71/08/490117108.db2.gz MSJUZJJHCBAZJZ-FGTMMUONSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479766590 490122812 /nfs/dbraw/zinc/12/28/12/490122812.db2.gz QBHXJZSVKBCTPX-FFZOFVMBSA-N 2 1 372.513 0.675 20 0 FCADMP Cn1c2ncn(CC[N@@H+](CCC[NH3+])Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000479774882 490123097 /nfs/dbraw/zinc/12/30/97/490123097.db2.gz GLWZPOVYMWZPSI-UHFFFAOYSA-N 2 1 370.457 0.285 20 0 FCADMP C[C@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000379674821 490125749 /nfs/dbraw/zinc/12/57/49/490125749.db2.gz VKZGNGVWLXJEAD-WBVHZDCISA-N 2 1 355.504 0.805 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)C(C)(C)C ZINC000479886241 490132093 /nfs/dbraw/zinc/13/20/93/490132093.db2.gz JGRGFLAKIHCECB-AWEZNQCLSA-N 2 1 358.552 0.634 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927917 490152373 /nfs/dbraw/zinc/15/23/73/490152373.db2.gz GEXAJRVJUBBNBW-HNNXBMFYSA-N 2 1 367.494 0.193 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000532997211 490155284 /nfs/dbraw/zinc/15/52/84/490155284.db2.gz KEJIKAVRGQNJJC-UHFFFAOYSA-N 2 1 364.494 0.716 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465960086 490158071 /nfs/dbraw/zinc/15/80/71/490158071.db2.gz SMLHFBSJVZNHJJ-INIZCTEOSA-N 2 1 355.527 0.803 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)CN1CC[NH+](C)CC1 ZINC000466130779 490168400 /nfs/dbraw/zinc/16/84/00/490168400.db2.gz JBZHZGSLGLTKPC-ZWKOTPCHSA-N 2 1 369.554 0.262 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1CCOC ZINC000422129849 490181128 /nfs/dbraw/zinc/18/11/28/490181128.db2.gz ZZRSEQAAHAFMMD-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000422129849 490181134 /nfs/dbraw/zinc/18/11/34/490181134.db2.gz ZZRSEQAAHAFMMD-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000422129849 490181140 /nfs/dbraw/zinc/18/11/40/490181140.db2.gz ZZRSEQAAHAFMMD-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000422129849 490181145 /nfs/dbraw/zinc/18/11/45/490181145.db2.gz ZZRSEQAAHAFMMD-IAGOWNOFSA-N 2 1 368.522 0.498 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@H](C)C1 ZINC000497610608 490183148 /nfs/dbraw/zinc/18/31/48/490183148.db2.gz NKBKFNRKNVLKDM-SQNIBIBYSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@H](C)C1 ZINC000497610608 490183156 /nfs/dbraw/zinc/18/31/56/490183156.db2.gz NKBKFNRKNVLKDM-SQNIBIBYSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@H](C)C1 ZINC000497610606 490183237 /nfs/dbraw/zinc/18/32/37/490183237.db2.gz NKBKFNRKNVLKDM-RCCFBDPRSA-N 2 1 370.538 0.831 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@H](C)C1 ZINC000497610606 490183245 /nfs/dbraw/zinc/18/32/45/490183245.db2.gz NKBKFNRKNVLKDM-RCCFBDPRSA-N 2 1 370.538 0.831 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520770597 490186550 /nfs/dbraw/zinc/18/65/50/490186550.db2.gz JSMUVPLTLLUKPA-QZTJIDSGSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000520770597 490186556 /nfs/dbraw/zinc/18/65/56/490186556.db2.gz JSMUVPLTLLUKPA-QZTJIDSGSA-N 2 1 373.501 0.750 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000520770597 490186564 /nfs/dbraw/zinc/18/65/64/490186564.db2.gz JSMUVPLTLLUKPA-QZTJIDSGSA-N 2 1 373.501 0.750 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC(COC)COC)CC2)CC1 ZINC000422200212 490201336 /nfs/dbraw/zinc/20/13/36/490201336.db2.gz CDQBCKHUSUCVPE-UHFFFAOYSA-N 2 1 356.511 0.849 20 0 FCADMP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794649 490212892 /nfs/dbraw/zinc/21/28/92/490212892.db2.gz XIHQXZTWXMUNIN-KEYYUXOJSA-N 2 1 363.506 0.463 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603727 490215790 /nfs/dbraw/zinc/21/57/90/490215790.db2.gz APVUMJYAYKPYEQ-MJGOQNOKSA-N 2 1 354.539 0.877 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000480621127 490217689 /nfs/dbraw/zinc/21/76/89/490217689.db2.gz IWGOTJPCRGBIQI-OAHLLOKOSA-N 2 1 357.520 0.815 20 0 FCADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422273875 490220093 /nfs/dbraw/zinc/22/00/93/490220093.db2.gz WYJFMSIRNDFYCL-OAHLLOKOSA-N 2 1 364.515 0.991 20 0 FCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000497852648 490223686 /nfs/dbraw/zinc/22/36/86/490223686.db2.gz KVCQMPDNNWOGQX-BRWVUGGUSA-N 2 1 365.522 0.842 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H](C[NH3+])OC)cc2)CC1 ZINC000447434444 490235785 /nfs/dbraw/zinc/23/57/85/490235785.db2.gz GSQVBKBZXCEDPM-KRWDZBQOSA-N 2 1 362.474 0.696 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000556363071 491311857 /nfs/dbraw/zinc/31/18/57/491311857.db2.gz SASKFLRXNADZGZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000556363071 491311858 /nfs/dbraw/zinc/31/18/58/491311858.db2.gz SASKFLRXNADZGZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000556363071 491311859 /nfs/dbraw/zinc/31/18/59/491311859.db2.gz SASKFLRXNADZGZ-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000422330523 490262437 /nfs/dbraw/zinc/26/24/37/490262437.db2.gz BXIIMEMGPXYGRS-MRXNPFEDSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000422330523 490262445 /nfs/dbraw/zinc/26/24/45/490262445.db2.gz BXIIMEMGPXYGRS-MRXNPFEDSA-N 2 1 367.538 0.070 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000422330523 490262451 /nfs/dbraw/zinc/26/24/51/490262451.db2.gz BXIIMEMGPXYGRS-MRXNPFEDSA-N 2 1 367.538 0.070 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000422374025 490285514 /nfs/dbraw/zinc/28/55/14/490285514.db2.gz GSHUJQHQCRFRNW-QGZVFWFLSA-N 2 1 364.465 0.926 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000422374025 490285522 /nfs/dbraw/zinc/28/55/22/490285522.db2.gz GSHUJQHQCRFRNW-QGZVFWFLSA-N 2 1 364.465 0.926 20 0 FCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000422374025 490285533 /nfs/dbraw/zinc/28/55/33/490285533.db2.gz GSHUJQHQCRFRNW-QGZVFWFLSA-N 2 1 364.465 0.926 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000508059387 490294020 /nfs/dbraw/zinc/29/40/20/490294020.db2.gz QFOSNFSTUVYGSZ-UHFFFAOYSA-N 2 1 355.527 0.911 20 0 FCADMP C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000447919339 490294384 /nfs/dbraw/zinc/29/43/84/490294384.db2.gz DSZMEIXXGSXEAR-KANFNMMFSA-N 2 1 361.486 0.895 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000422426801 490311568 /nfs/dbraw/zinc/31/15/68/490311568.db2.gz BVIUHFZYOFQRQD-GOSISDBHSA-N 2 1 360.502 0.960 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521962528 490317475 /nfs/dbraw/zinc/31/74/75/490317475.db2.gz HRUSGDGBIYSQDQ-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521962528 490317484 /nfs/dbraw/zinc/31/74/84/490317484.db2.gz HRUSGDGBIYSQDQ-DLBZAZTESA-N 2 1 366.506 0.300 20 0 FCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000534266498 490338629 /nfs/dbraw/zinc/33/86/29/490338629.db2.gz HMIQVQXONDDSAQ-QBPKDAKJSA-N 2 1 350.507 0.539 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626683 491319431 /nfs/dbraw/zinc/31/94/31/491319431.db2.gz PTIVKCAAKRNEHB-MHORFTMASA-N 2 1 356.470 0.683 20 0 FCADMP CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000522186843 490352132 /nfs/dbraw/zinc/35/21/32/490352132.db2.gz AQDRGXAIDXIQIU-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000422488434 490353528 /nfs/dbraw/zinc/35/35/28/490353528.db2.gz NBJQGEQTKHWOTB-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422493304 490358556 /nfs/dbraw/zinc/35/85/56/490358556.db2.gz PXWGJUODYQMAHH-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422493304 490358566 /nfs/dbraw/zinc/35/85/66/490358566.db2.gz PXWGJUODYQMAHH-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422493304 490358573 /nfs/dbraw/zinc/35/85/73/490358573.db2.gz PXWGJUODYQMAHH-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422493304 490358582 /nfs/dbraw/zinc/35/85/82/490358582.db2.gz PXWGJUODYQMAHH-JKSUJKDBSA-N 2 1 368.522 0.138 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000522309425 490370588 /nfs/dbraw/zinc/37/05/88/490370588.db2.gz NCUGTBZCLNSMNQ-HOCLYGCPSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522309425 490370595 /nfs/dbraw/zinc/37/05/95/490370595.db2.gz NCUGTBZCLNSMNQ-HOCLYGCPSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522309425 490370601 /nfs/dbraw/zinc/37/06/01/490370601.db2.gz NCUGTBZCLNSMNQ-HOCLYGCPSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571659619 491321630 /nfs/dbraw/zinc/32/16/30/491321630.db2.gz KSUMLJQHUAIZFG-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571659619 491321633 /nfs/dbraw/zinc/32/16/33/491321633.db2.gz KSUMLJQHUAIZFG-SZMVWBNQSA-N 2 1 374.485 0.260 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410992241 490377202 /nfs/dbraw/zinc/37/72/02/490377202.db2.gz WOUDNOUPRGZVCE-DLBZAZTESA-N 2 1 373.501 0.754 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410992241 490377206 /nfs/dbraw/zinc/37/72/06/490377206.db2.gz WOUDNOUPRGZVCE-DLBZAZTESA-N 2 1 373.501 0.754 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000571662637 491321862 /nfs/dbraw/zinc/32/18/62/491321862.db2.gz WMJAQQROMGSKAZ-QAPCUYQASA-N 2 1 370.563 0.921 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CCCC1 ZINC000564717800 491322270 /nfs/dbraw/zinc/32/22/70/491322270.db2.gz ABWQTYGBLHLYQE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CCCC1 ZINC000564717800 491322272 /nfs/dbraw/zinc/32/22/72/491322272.db2.gz ABWQTYGBLHLYQE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CCCC1 ZINC000564717800 491322274 /nfs/dbraw/zinc/32/22/74/491322274.db2.gz ABWQTYGBLHLYQE-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571690903 491323427 /nfs/dbraw/zinc/32/34/27/491323427.db2.gz IRNLLSNHKCZQNP-INIZCTEOSA-N 2 1 353.511 0.700 20 0 FCADMP COC(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000468551167 490413918 /nfs/dbraw/zinc/41/39/18/490413918.db2.gz CDXOTRWJJZGTIK-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP COC(=O)CN1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000468551167 490413927 /nfs/dbraw/zinc/41/39/27/490413927.db2.gz CDXOTRWJJZGTIK-HXUWFJFHSA-N 2 1 361.486 0.850 20 0 FCADMP COC(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000468551166 490414369 /nfs/dbraw/zinc/41/43/69/490414369.db2.gz CDXOTRWJJZGTIK-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP COC(=O)CN1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000468551166 490414375 /nfs/dbraw/zinc/41/43/75/490414375.db2.gz CDXOTRWJJZGTIK-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCO1 ZINC000499340573 490414868 /nfs/dbraw/zinc/41/48/68/490414868.db2.gz HBPZLAUQLGLQDC-GJZGRUSLSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+](C)C2)[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000449849565 490432314 /nfs/dbraw/zinc/43/23/14/490432314.db2.gz NVIBVUDGTZUIQJ-CWQOZTLDSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+](C)C2)[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)C1 ZINC000449849565 490432319 /nfs/dbraw/zinc/43/23/19/490432319.db2.gz NVIBVUDGTZUIQJ-CWQOZTLDSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)C1 ZINC000449849565 490432323 /nfs/dbraw/zinc/43/23/23/490432323.db2.gz NVIBVUDGTZUIQJ-CWQOZTLDSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000535007804 490434751 /nfs/dbraw/zinc/43/47/51/490434751.db2.gz NMLIFYNPRMNPIL-QRVBRYPASA-N 2 1 363.550 0.393 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571745544 491326594 /nfs/dbraw/zinc/32/65/94/491326594.db2.gz ZZFJOSNXTQHTLJ-RBUKOAKNSA-N 2 1 357.502 0.950 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000564842440 491330299 /nfs/dbraw/zinc/33/02/99/491330299.db2.gz HIIJGEJXDPBHQM-IXDOHACOSA-N 2 1 364.494 0.213 20 0 FCADMP CC(C)[C@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422871547 490489803 /nfs/dbraw/zinc/48/98/03/490489803.db2.gz ZBRPIRUNILXNCY-YJBOKZPZSA-N 2 1 354.495 0.189 20 0 FCADMP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422871540 490489842 /nfs/dbraw/zinc/48/98/42/490489842.db2.gz ZBRPIRUNILXNCY-CRAIPNDOSA-N 2 1 354.495 0.189 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000571820899 491331399 /nfs/dbraw/zinc/33/13/99/491331399.db2.gz JZXCRLRLVPFOGX-DOTOQJQBSA-N 2 1 355.442 0.743 20 0 FCADMP Cn1ccnc1COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000571820899 491331402 /nfs/dbraw/zinc/33/14/02/491331402.db2.gz JZXCRLRLVPFOGX-DOTOQJQBSA-N 2 1 355.442 0.743 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980860 490509817 /nfs/dbraw/zinc/50/98/17/490509817.db2.gz RJTSYJVQQSBJOC-CADBVGFASA-N 2 1 361.486 0.753 20 0 FCADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000423000174 490514396 /nfs/dbraw/zinc/51/43/96/490514396.db2.gz YWFGPBPQKWMTKX-ZBFHGGJFSA-N 2 1 355.504 0.777 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423014438 490519836 /nfs/dbraw/zinc/51/98/36/490519836.db2.gz OZZKMEDRJCIWSC-INIZCTEOSA-N 2 1 366.506 0.001 20 0 FCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423037337 490527603 /nfs/dbraw/zinc/52/76/03/490527603.db2.gz MRUJWGGUQVLBHC-OALUTQOASA-N 2 1 370.497 0.441 20 0 FCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000423057435 490531486 /nfs/dbraw/zinc/53/14/86/490531486.db2.gz ZRSKIGKZLSYXHC-CRAIPNDOSA-N 2 1 374.485 0.535 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000423057435 490531494 /nfs/dbraw/zinc/53/14/94/490531494.db2.gz ZRSKIGKZLSYXHC-CRAIPNDOSA-N 2 1 374.485 0.535 20 0 FCADMP CCN(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423058243 490532362 /nfs/dbraw/zinc/53/23/62/490532362.db2.gz JAKLCZGLEUBHDS-SJLPKXTDSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423055544 490532412 /nfs/dbraw/zinc/53/24/12/490532412.db2.gz DDYZQNAPINWTQD-MSOLQXFVSA-N 2 1 358.486 0.917 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423061876 490533626 /nfs/dbraw/zinc/53/36/26/490533626.db2.gz RRYASFUVUVXZIY-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423062629 490533867 /nfs/dbraw/zinc/53/38/67/490533867.db2.gz UOLGZDMNSDDYMZ-QZTJIDSGSA-N 2 1 374.485 0.296 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063670 490534130 /nfs/dbraw/zinc/53/41/30/490534130.db2.gz XCFAVCCVUXONEE-GUDVDZBRSA-N 2 1 370.497 0.787 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485511011 490537124 /nfs/dbraw/zinc/53/71/24/490537124.db2.gz XVKFHAOQTIFKRF-UHFFFAOYSA-N 2 1 354.495 0.202 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000524465282 490540075 /nfs/dbraw/zinc/54/00/75/490540075.db2.gz QBQQGQKXUSWIKJ-OAHLLOKOSA-N 2 1 351.495 0.465 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000485541822 490541244 /nfs/dbraw/zinc/54/12/44/490541244.db2.gz ZOXADSKHXSDUHD-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541822 490541248 /nfs/dbraw/zinc/54/12/48/490541248.db2.gz ZOXADSKHXSDUHD-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541822 490541253 /nfs/dbraw/zinc/54/12/53/490541253.db2.gz ZOXADSKHXSDUHD-KRWDZBQOSA-N 2 1 358.486 0.835 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC000500762423 490549477 /nfs/dbraw/zinc/54/94/77/490549477.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP CCC[C@@H]1CN(C(=O)NCCN2CCOC[C@H]2C)CCN1CCOC ZINC000500762423 490549479 /nfs/dbraw/zinc/54/94/79/490549479.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 1 356.511 0.849 20 0 FCADMP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063752 490557747 /nfs/dbraw/zinc/55/77/47/490557747.db2.gz IKUZTUJXWMKCTE-HOTGVXAUSA-N 2 1 374.551 0.142 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@H](C)C2)CC1=O ZINC000524775071 490559058 /nfs/dbraw/zinc/55/90/58/490559058.db2.gz OPVKVPMXPHTFRL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1=O ZINC000524775071 490559063 /nfs/dbraw/zinc/55/90/63/490559063.db2.gz OPVKVPMXPHTFRL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1=O ZINC000524775071 490559065 /nfs/dbraw/zinc/55/90/65/490559065.db2.gz OPVKVPMXPHTFRL-YESZJQIVSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485819467 490561257 /nfs/dbraw/zinc/56/12/57/490561257.db2.gz MMOWAZLHBNNLSF-MRXNPFEDSA-N 2 1 363.510 0.350 20 0 FCADMP C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)CN1CC[NH+](C)CC1 ZINC000536233601 490563725 /nfs/dbraw/zinc/56/37/25/490563725.db2.gz VNLZRBQZXSVHMZ-KRWDZBQOSA-N 2 1 368.570 0.195 20 0 FCADMP O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000564926176 491337352 /nfs/dbraw/zinc/33/73/52/491337352.db2.gz GQMOHACZTZFIQM-UHFFFAOYSA-N 2 1 358.442 0.693 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000486034611 490586499 /nfs/dbraw/zinc/58/64/99/490586499.db2.gz GTMFXCOLYZTVRE-FIDHJVLJSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486034611 490586503 /nfs/dbraw/zinc/58/65/03/490586503.db2.gz GTMFXCOLYZTVRE-FIDHJVLJSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000486034611 490586507 /nfs/dbraw/zinc/58/65/07/490586507.db2.gz GTMFXCOLYZTVRE-FIDHJVLJSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000486034614 490586590 /nfs/dbraw/zinc/58/65/90/490586590.db2.gz GTMFXCOLYZTVRE-UTSKFRMZSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486034614 490586593 /nfs/dbraw/zinc/58/65/93/490586593.db2.gz GTMFXCOLYZTVRE-UTSKFRMZSA-N 2 1 352.523 0.783 20 0 FCADMP CCC[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486034614 490586595 /nfs/dbraw/zinc/58/65/95/490586595.db2.gz GTMFXCOLYZTVRE-UTSKFRMZSA-N 2 1 352.523 0.783 20 0 FCADMP CNc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000549601505 490591957 /nfs/dbraw/zinc/59/19/57/490591957.db2.gz LXHWNDYFTAYVPZ-NMWPEEMBSA-N 2 1 362.526 0.393 20 0 FCADMP CCN(CC)S(=O)(=O)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000525313600 490595887 /nfs/dbraw/zinc/59/58/87/490595887.db2.gz NSCPFDDBAVXJPT-UHFFFAOYSA-N 2 1 369.491 0.444 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549785829 490604283 /nfs/dbraw/zinc/60/42/83/490604283.db2.gz PRWJYJPVHDSTRU-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000486326639 490610696 /nfs/dbraw/zinc/61/06/96/490610696.db2.gz NWWQYJPXXKLHFO-LSDHHAIUSA-N 2 1 362.478 0.125 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501519854 490611783 /nfs/dbraw/zinc/61/17/83/490611783.db2.gz CVKMKJZXWWFIQJ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000501519854 490611788 /nfs/dbraw/zinc/61/17/88/490611788.db2.gz CVKMKJZXWWFIQJ-HZPDHXFCSA-N 2 1 353.511 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000486365760 490615013 /nfs/dbraw/zinc/61/50/13/490615013.db2.gz LBMSZGYOFSZGEL-KZNAEPCWSA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000486365760 490615019 /nfs/dbraw/zinc/61/50/19/490615019.db2.gz LBMSZGYOFSZGEL-KZNAEPCWSA-N 2 1 352.523 0.438 20 0 FCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000486365760 490615029 /nfs/dbraw/zinc/61/50/29/490615029.db2.gz LBMSZGYOFSZGEL-KZNAEPCWSA-N 2 1 352.523 0.438 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000550003181 490619110 /nfs/dbraw/zinc/61/91/10/490619110.db2.gz WIPZESXVLKTWOI-MRXNPFEDSA-N 2 1 368.522 0.594 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501591619 490620924 /nfs/dbraw/zinc/62/09/24/490620924.db2.gz VEFOFLQDENBVOM-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000550102677 490625083 /nfs/dbraw/zinc/62/50/83/490625083.db2.gz AJFNGDBQKYIVFO-HZPDHXFCSA-N 2 1 350.507 0.966 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000550121594 490626935 /nfs/dbraw/zinc/62/69/35/490626935.db2.gz NBUBPAMCIQENFH-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1[NH+](C)C ZINC000501632857 490628075 /nfs/dbraw/zinc/62/80/75/490628075.db2.gz BJDKZQFWKXDWBJ-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645984 490630984 /nfs/dbraw/zinc/63/09/84/490630984.db2.gz MVKHMZJKRPNDNY-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000486492490 490639624 /nfs/dbraw/zinc/63/96/24/490639624.db2.gz DTUHZQAGUIXKNX-DBDOFBCQSA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486492490 490639627 /nfs/dbraw/zinc/63/96/27/490639627.db2.gz DTUHZQAGUIXKNX-DBDOFBCQSA-N 2 1 368.522 0.019 20 0 FCADMP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000486492490 490639634 /nfs/dbraw/zinc/63/96/34/490639634.db2.gz DTUHZQAGUIXKNX-DBDOFBCQSA-N 2 1 368.522 0.019 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000550199148 490639914 /nfs/dbraw/zinc/63/99/14/490639914.db2.gz TUUATXSREUDCCV-INIZCTEOSA-N 2 1 366.425 0.947 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)NC)nc1 ZINC000486578486 490647638 /nfs/dbraw/zinc/64/76/38/490647638.db2.gz IBPZNCGMKGUNKP-MRXNPFEDSA-N 2 1 361.490 0.929 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512216030 490665347 /nfs/dbraw/zinc/66/53/47/490665347.db2.gz ABDZBQBHXLNQJT-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512216030 490665348 /nfs/dbraw/zinc/66/53/48/490665348.db2.gz ABDZBQBHXLNQJT-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512216030 490665351 /nfs/dbraw/zinc/66/53/51/490665351.db2.gz ABDZBQBHXLNQJT-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074334 490674762 /nfs/dbraw/zinc/67/47/62/490674762.db2.gz JPLRWXWHVAMVFE-ZDUSSCGKSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000550582198 490678027 /nfs/dbraw/zinc/67/80/27/490678027.db2.gz OKVSLFHTYHQQQC-HOTGVXAUSA-N 2 1 370.538 0.837 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000550582198 490678031 /nfs/dbraw/zinc/67/80/31/490678031.db2.gz OKVSLFHTYHQQQC-HOTGVXAUSA-N 2 1 370.538 0.837 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000502392088 490703391 /nfs/dbraw/zinc/70/33/91/490703391.db2.gz MNUVPZJLTGPENV-IRXDYDNUSA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000502392088 490703393 /nfs/dbraw/zinc/70/33/93/490703393.db2.gz MNUVPZJLTGPENV-IRXDYDNUSA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000502392088 490703396 /nfs/dbraw/zinc/70/33/96/490703396.db2.gz MNUVPZJLTGPENV-IRXDYDNUSA-N 2 1 369.506 0.973 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000502392088 490703398 /nfs/dbraw/zinc/70/33/98/490703398.db2.gz MNUVPZJLTGPENV-IRXDYDNUSA-N 2 1 369.506 0.973 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557001010 491348278 /nfs/dbraw/zinc/34/82/78/491348278.db2.gz LUYQKQCGNXHFHK-HOCLYGCPSA-N 2 1 359.474 0.789 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557001010 491348279 /nfs/dbraw/zinc/34/82/79/491348279.db2.gz LUYQKQCGNXHFHK-HOCLYGCPSA-N 2 1 359.474 0.789 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000538135227 490715661 /nfs/dbraw/zinc/71/56/61/490715661.db2.gz HYTNREUJOBISPF-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000538135227 490715665 /nfs/dbraw/zinc/71/56/65/490715665.db2.gz HYTNREUJOBISPF-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000538135227 490715670 /nfs/dbraw/zinc/71/56/70/490715670.db2.gz HYTNREUJOBISPF-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000538135227 490715674 /nfs/dbraw/zinc/71/56/74/490715674.db2.gz HYTNREUJOBISPF-OAGGEKHMSA-N 2 1 352.479 0.892 20 0 FCADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557011342 491349300 /nfs/dbraw/zinc/34/93/00/491349300.db2.gz DNTBKVZFWQQYCG-INIZCTEOSA-N 2 1 371.485 0.767 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000557011948 491349370 /nfs/dbraw/zinc/34/93/70/491349370.db2.gz QFXWCBVFSQVGBI-NVXWUHKLSA-N 2 1 362.449 0.898 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487671687 490724570 /nfs/dbraw/zinc/72/45/70/490724570.db2.gz GRQDWROGCIWXCC-IRXDYDNUSA-N 2 1 356.511 0.632 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487710392 490727186 /nfs/dbraw/zinc/72/71/86/490727186.db2.gz QPLJBGLRWZWKOU-ICUGJSFKSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487710392 490727189 /nfs/dbraw/zinc/72/71/89/490727189.db2.gz QPLJBGLRWZWKOU-ICUGJSFKSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487710392 490727190 /nfs/dbraw/zinc/72/71/90/490727190.db2.gz QPLJBGLRWZWKOU-ICUGJSFKSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487710393 490727300 /nfs/dbraw/zinc/72/73/00/490727300.db2.gz QPLJBGLRWZWKOU-ILOCAZANSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487710393 490727303 /nfs/dbraw/zinc/72/73/03/490727303.db2.gz QPLJBGLRWZWKOU-ILOCAZANSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487710393 490727305 /nfs/dbraw/zinc/72/73/05/490727305.db2.gz QPLJBGLRWZWKOU-ILOCAZANSA-N 2 1 366.550 0.981 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513476038 490732760 /nfs/dbraw/zinc/73/27/60/490732760.db2.gz MMKGBFUJNMEZHA-LSDHHAIUSA-N 2 1 370.538 0.383 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513476038 490732764 /nfs/dbraw/zinc/73/27/64/490732764.db2.gz MMKGBFUJNMEZHA-LSDHHAIUSA-N 2 1 370.538 0.383 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2F)CC1 ZINC000572133736 491350750 /nfs/dbraw/zinc/35/07/50/491350750.db2.gz LLKNPKPUSNOIOJ-ROUUACIJSA-N 2 1 364.465 0.715 20 0 FCADMP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000503295621 490750135 /nfs/dbraw/zinc/75/01/35/490750135.db2.gz GFCVWWMPILIEDG-UHFFFAOYSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000488249198 490751902 /nfs/dbraw/zinc/75/19/02/490751902.db2.gz KIKFXZRHFIKXPX-OAHLLOKOSA-N 2 1 356.536 0.483 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000539145461 490765210 /nfs/dbraw/zinc/76/52/10/490765210.db2.gz LGWKOXQRHBICDQ-HDICACEKSA-N 2 1 355.523 0.909 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000539145461 490765211 /nfs/dbraw/zinc/76/52/11/490765211.db2.gz LGWKOXQRHBICDQ-HDICACEKSA-N 2 1 355.523 0.909 20 0 FCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210874 490766343 /nfs/dbraw/zinc/76/63/43/490766343.db2.gz KQYAPGASFDZWAW-ROUUACIJSA-N 3 1 354.539 0.877 20 0 FCADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851629 490778566 /nfs/dbraw/zinc/77/85/66/490778566.db2.gz JIZKLBNKFNMNQP-BSDSXHPESA-N 2 1 351.539 0.994 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000557132707 491355846 /nfs/dbraw/zinc/35/58/46/491355846.db2.gz CMTMQMYSNUKZBF-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP COC[C@@]1(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000514934632 490798612 /nfs/dbraw/zinc/79/86/12/490798612.db2.gz LSYQGMYQLLVEJT-OAQYLSRUSA-N 2 1 374.529 0.889 20 0 FCADMP CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154451 491357033 /nfs/dbraw/zinc/35/70/33/491357033.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 2 1 359.518 0.835 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000515075228 490807889 /nfs/dbraw/zinc/80/78/89/490807889.db2.gz OOKYFOOHHGLTIA-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000515075228 490807892 /nfs/dbraw/zinc/80/78/92/490807892.db2.gz OOKYFOOHHGLTIA-HNNXBMFYSA-N 2 1 368.522 0.279 20 0 FCADMP C[NH+](C)CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1-c1ccccc1 ZINC000504924137 490814639 /nfs/dbraw/zinc/81/46/39/490814639.db2.gz NKMWBDDELFQKHN-HXUWFJFHSA-N 2 1 371.485 0.908 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000540325346 490817636 /nfs/dbraw/zinc/81/76/36/490817636.db2.gz CTTSREDVARWDSK-RHSMWYFYSA-N 2 1 372.535 0.703 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000540325346 490817639 /nfs/dbraw/zinc/81/76/39/490817639.db2.gz CTTSREDVARWDSK-RHSMWYFYSA-N 2 1 372.535 0.703 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515354174 490821875 /nfs/dbraw/zinc/82/18/75/490821875.db2.gz SGFNMXISGGJCKU-IYBDPMFKSA-N 2 1 370.538 0.839 20 0 FCADMP CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515354174 490821877 /nfs/dbraw/zinc/82/18/77/490821877.db2.gz SGFNMXISGGJCKU-IYBDPMFKSA-N 2 1 370.538 0.839 20 0 FCADMP CCN1C[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000565213962 491360729 /nfs/dbraw/zinc/36/07/29/491360729.db2.gz OSZTUEJWTYLNTI-INIZCTEOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783091 490839741 /nfs/dbraw/zinc/83/97/41/490839741.db2.gz ISBUYSDVJZSPHG-IAGOWNOFSA-N 2 1 368.522 0.356 20 0 FCADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000529374287 490857012 /nfs/dbraw/zinc/85/70/12/490857012.db2.gz DXPQCXRGWVAICY-KURKYZTESA-N 2 1 362.474 0.157 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CSc2nnnn2C2CC2)CC1 ZINC000516207896 490857258 /nfs/dbraw/zinc/85/72/58/490857258.db2.gz AQLMWUIRPWRPHN-UHFFFAOYSA-N 2 1 374.474 0.886 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000529374873 490857970 /nfs/dbraw/zinc/85/79/70/490857970.db2.gz OQNDBPBESNRZPN-KRWDZBQOSA-N 2 1 362.474 0.901 20 0 FCADMP C[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC000541750272 490871108 /nfs/dbraw/zinc/87/11/08/490871108.db2.gz FDXXXPGPEWQGQG-GOSISDBHSA-N 2 1 365.566 0.498 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000516695752 490875338 /nfs/dbraw/zinc/87/53/38/490875338.db2.gz OOUWOWLUGYXJNE-GJZGRUSLSA-N 2 1 350.463 0.152 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000516695752 490875339 /nfs/dbraw/zinc/87/53/39/490875339.db2.gz OOUWOWLUGYXJNE-GJZGRUSLSA-N 2 1 350.463 0.152 20 0 FCADMP CN(C)C(=O)CC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000541896575 490877134 /nfs/dbraw/zinc/87/71/34/490877134.db2.gz NCPRMEGEGNODFT-HNNXBMFYSA-N 2 1 352.479 0.256 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000516786820 490878201 /nfs/dbraw/zinc/87/82/01/490878201.db2.gz GWNLHDQRJPFNHR-OAGGEKHMSA-N 2 1 351.495 0.452 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000516797557 490878628 /nfs/dbraw/zinc/87/86/28/490878628.db2.gz FVEAWTCZPHHQRX-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000516797557 490878630 /nfs/dbraw/zinc/87/86/30/490878630.db2.gz FVEAWTCZPHHQRX-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000516797557 490878631 /nfs/dbraw/zinc/87/86/31/490878631.db2.gz FVEAWTCZPHHQRX-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000516864450 490881651 /nfs/dbraw/zinc/88/16/51/490881651.db2.gz CEWWPFYSMDWPNT-KRWDZBQOSA-N 2 1 360.458 0.843 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000516864450 490881653 /nfs/dbraw/zinc/88/16/53/490881653.db2.gz CEWWPFYSMDWPNT-KRWDZBQOSA-N 2 1 360.458 0.843 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000516960112 490887431 /nfs/dbraw/zinc/88/74/31/490887431.db2.gz SHCSJNVLSWDOKY-CVEARBPZSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000516960112 490887434 /nfs/dbraw/zinc/88/74/34/490887434.db2.gz SHCSJNVLSWDOKY-CVEARBPZSA-N 2 1 358.486 0.747 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000542607724 490901991 /nfs/dbraw/zinc/90/19/91/490901991.db2.gz MAGFZMREMVKLIA-ROUUACIJSA-N 2 1 353.555 0.497 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000542607724 490901993 /nfs/dbraw/zinc/90/19/93/490901993.db2.gz MAGFZMREMVKLIA-ROUUACIJSA-N 3 1 353.555 0.497 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000542607724 490901995 /nfs/dbraw/zinc/90/19/95/490901995.db2.gz MAGFZMREMVKLIA-ROUUACIJSA-N 3 1 353.555 0.497 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572285927 491360481 /nfs/dbraw/zinc/36/04/81/491360481.db2.gz LEEJZQSIEABIFW-UVPYHEFZSA-N 2 1 354.495 0.329 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000530528180 490910575 /nfs/dbraw/zinc/91/05/75/490910575.db2.gz ABQLMFZLMPUXGD-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530679680 490919155 /nfs/dbraw/zinc/91/91/55/490919155.db2.gz YEVJJIIQHQDLND-CTNGQTDRSA-N 2 1 373.497 0.804 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000530777984 490923735 /nfs/dbraw/zinc/92/37/35/490923735.db2.gz CBOAICNRADNPBT-ROUUACIJSA-N 2 1 372.579 0.758 20 0 FCADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394768 490939269 /nfs/dbraw/zinc/93/92/69/490939269.db2.gz YMOWPZXCTIVNSZ-QZTJIDSGSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394768 490939270 /nfs/dbraw/zinc/93/92/70/490939270.db2.gz YMOWPZXCTIVNSZ-QZTJIDSGSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394768 490939272 /nfs/dbraw/zinc/93/92/72/490939272.db2.gz YMOWPZXCTIVNSZ-QZTJIDSGSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCNC3=O)C2)CC1 ZINC000518394768 490939274 /nfs/dbraw/zinc/93/92/74/490939274.db2.gz YMOWPZXCTIVNSZ-QZTJIDSGSA-N 2 1 350.507 0.779 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000565252988 491365790 /nfs/dbraw/zinc/36/57/90/491365790.db2.gz GNSUTALWUFPLPN-ZWKOTPCHSA-N 2 1 358.486 0.630 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543750916 490944901 /nfs/dbraw/zinc/94/49/01/490944901.db2.gz ILAZHLACKKYJGD-MRXNPFEDSA-N 2 1 365.522 0.832 20 0 FCADMP C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357912 490953533 /nfs/dbraw/zinc/95/35/33/490953533.db2.gz PHIJTZNYPITMOC-CQSZACIVSA-N 2 1 374.489 0.633 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[N@H+]1C1CC1 ZINC000519567621 490977226 /nfs/dbraw/zinc/97/72/26/490977226.db2.gz MEQZICNPKFBIRX-BFYDXBDKSA-N 2 1 366.506 0.297 20 0 FCADMP C[N@H+](C[C@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000519640977 490981039 /nfs/dbraw/zinc/98/10/39/490981039.db2.gz ZPYHSAQOHHQHST-LJQANCHMSA-N 2 1 360.502 0.870 20 0 FCADMP C[N@@H+](C[C@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000519640977 490981040 /nfs/dbraw/zinc/98/10/40/490981040.db2.gz ZPYHSAQOHHQHST-LJQANCHMSA-N 2 1 360.502 0.870 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000519652803 490982355 /nfs/dbraw/zinc/98/23/55/490982355.db2.gz QTUGCATZNHQAQN-RDJZCZTQSA-N 2 1 359.474 0.373 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000532010920 490982922 /nfs/dbraw/zinc/98/29/22/490982922.db2.gz AXQPMCOVBAEBIA-KBAYOESNSA-N 2 1 368.522 0.632 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000532264886 490990029 /nfs/dbraw/zinc/99/00/29/490990029.db2.gz ZMXJSEQJRGMULI-ULQDDVLXSA-N 2 1 354.495 0.384 20 0 FCADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000532475833 490993309 /nfs/dbraw/zinc/99/33/09/490993309.db2.gz RRMSRAWEMQPDIV-UHFFFAOYSA-N 2 1 354.476 0.546 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000553904471 491163260 /nfs/dbraw/zinc/16/32/60/491163260.db2.gz ZHRMWPZXRIAWLE-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000562662291 491179425 /nfs/dbraw/zinc/17/94/25/491179425.db2.gz JECKHGMEPVXYBI-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000562743306 491186292 /nfs/dbraw/zinc/18/62/92/491186292.db2.gz DUMLXUUZSPWQHZ-GASCZTMLSA-N 2 1 374.485 0.886 20 0 FCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565358121 491371849 /nfs/dbraw/zinc/37/18/49/491371849.db2.gz ICNWNVZLLHPENW-ZIFCJYIRSA-N 2 1 357.539 0.936 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257039 493337186 /nfs/dbraw/zinc/33/71/86/493337186.db2.gz GQEQTAJPYKVCJF-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257039 493337191 /nfs/dbraw/zinc/33/71/91/493337191.db2.gz GQEQTAJPYKVCJF-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257039 493337195 /nfs/dbraw/zinc/33/71/95/493337195.db2.gz GQEQTAJPYKVCJF-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H]1C ZINC000660257039 493337199 /nfs/dbraw/zinc/33/71/99/493337199.db2.gz GQEQTAJPYKVCJF-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000557422466 491373986 /nfs/dbraw/zinc/37/39/86/491373986.db2.gz XFMXKHWSDIOTLU-YESZJQIVSA-N 2 1 368.522 0.593 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000557485791 491376833 /nfs/dbraw/zinc/37/68/33/491376833.db2.gz MFOSLZFAFHCPFJ-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000557501886 491379248 /nfs/dbraw/zinc/37/92/48/491379248.db2.gz VPCHSWCLOCCQIX-GOEBONIOSA-N 2 1 354.495 0.202 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000565615495 491389244 /nfs/dbraw/zinc/38/92/44/491389244.db2.gz FYHYJVCXVBQQDN-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000565615495 491389246 /nfs/dbraw/zinc/38/92/46/491389246.db2.gz FYHYJVCXVBQQDN-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000565615495 491389248 /nfs/dbraw/zinc/38/92/48/491389248.db2.gz FYHYJVCXVBQQDN-HZPDHXFCSA-N 2 1 356.511 0.450 20 0 FCADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000557740686 491395580 /nfs/dbraw/zinc/39/55/80/491395580.db2.gz AKCPWYCLBXRVJB-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000557740686 491395581 /nfs/dbraw/zinc/39/55/81/491395581.db2.gz AKCPWYCLBXRVJB-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754109 491397762 /nfs/dbraw/zinc/39/77/62/491397762.db2.gz VKLJMMNGRHGRII-CEXWTWQISA-N 2 1 356.555 0.416 20 0 FCADMP COCC[NH+](C)C[C@@H](O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754109 491397767 /nfs/dbraw/zinc/39/77/67/491397767.db2.gz VKLJMMNGRHGRII-CEXWTWQISA-N 2 1 356.555 0.416 20 0 FCADMP COCC[NH+](C)C[C@@H](O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754109 491397770 /nfs/dbraw/zinc/39/77/70/491397770.db2.gz VKLJMMNGRHGRII-CEXWTWQISA-N 2 1 356.555 0.416 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000565831294 491401737 /nfs/dbraw/zinc/40/17/37/491401737.db2.gz XCSNILQTLJXTGP-UHFFFAOYSA-N 2 1 374.485 0.459 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000572955243 491403618 /nfs/dbraw/zinc/40/36/18/491403618.db2.gz PDBNKMMLCQSXCT-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000572955243 491403620 /nfs/dbraw/zinc/40/36/20/491403620.db2.gz PDBNKMMLCQSXCT-GOEBONIOSA-N 2 1 351.495 0.275 20 0 FCADMP CC[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000565968198 491409877 /nfs/dbraw/zinc/40/98/77/491409877.db2.gz CLOPFPOOHFJFQI-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000573099483 491412720 /nfs/dbraw/zinc/41/27/20/491412720.db2.gz SQBNJKYEYDZKEZ-IRXDYDNUSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+]1CCN(C)CC1 ZINC000566181302 491423787 /nfs/dbraw/zinc/42/37/87/491423787.db2.gz RMGCAFJLWWBTSS-WBVHZDCISA-N 2 1 363.510 0.032 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2 ZINC000558352692 491426682 /nfs/dbraw/zinc/42/66/82/491426682.db2.gz UULLWKLUIUCHBP-INIZCTEOSA-N 2 1 361.490 0.862 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373078 493342357 /nfs/dbraw/zinc/34/23/57/493342357.db2.gz YBKLACKYESBEIP-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668373078 493342359 /nfs/dbraw/zinc/34/23/59/493342359.db2.gz YBKLACKYESBEIP-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668373078 493342361 /nfs/dbraw/zinc/34/23/61/493342361.db2.gz YBKLACKYESBEIP-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC000566249143 491430623 /nfs/dbraw/zinc/43/06/23/491430623.db2.gz ZFBOWZMJXWYEFL-MRXNPFEDSA-N 2 1 366.506 0.206 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000573428509 491432565 /nfs/dbraw/zinc/43/25/65/491432565.db2.gz OVHAHULDXXSERC-MRXNPFEDSA-N 2 1 351.495 0.324 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1nc2ccccc2s1 ZINC000566303598 491434108 /nfs/dbraw/zinc/43/41/08/491434108.db2.gz DDZAXRCESLRZED-HNNXBMFYSA-N 2 1 373.526 0.935 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1nc2ccccc2s1 ZINC000566303598 491434109 /nfs/dbraw/zinc/43/41/09/491434109.db2.gz DDZAXRCESLRZED-HNNXBMFYSA-N 2 1 373.526 0.935 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000668374230 493342735 /nfs/dbraw/zinc/34/27/35/493342735.db2.gz WGKRSZZCKVCCSB-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000668374230 493342738 /nfs/dbraw/zinc/34/27/38/493342738.db2.gz WGKRSZZCKVCCSB-GOSISDBHSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000566396747 491440699 /nfs/dbraw/zinc/44/06/99/491440699.db2.gz BVQKIRDTTWWPMM-INIZCTEOSA-N 2 1 368.522 0.452 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566491665 491448067 /nfs/dbraw/zinc/44/80/67/491448067.db2.gz WBZYRZBAQAJDTQ-MOPGFXCFSA-N 3 1 371.529 0.962 20 0 FCADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566491665 491448068 /nfs/dbraw/zinc/44/80/68/491448068.db2.gz WBZYRZBAQAJDTQ-MOPGFXCFSA-N 3 1 371.529 0.962 20 0 FCADMP C[NH2+][C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000573798449 491455636 /nfs/dbraw/zinc/45/56/36/491455636.db2.gz HICOAAXXYCNUPT-LJQANCHMSA-N 2 1 371.485 0.954 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000573822467 491457284 /nfs/dbraw/zinc/45/72/84/491457284.db2.gz NIWTUGSQQVQUCN-UHFFFAOYSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000573823649 491457369 /nfs/dbraw/zinc/45/73/69/491457369.db2.gz LPPUOEMDPZZFQS-RBSFLKMASA-N 2 1 354.495 0.188 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752078 491465191 /nfs/dbraw/zinc/46/51/91/491465191.db2.gz ADCOYRQBDKHHDI-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752078 491465194 /nfs/dbraw/zinc/46/51/94/491465194.db2.gz ADCOYRQBDKHHDI-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566752078 491465196 /nfs/dbraw/zinc/46/51/96/491465196.db2.gz ADCOYRQBDKHHDI-BBWFWOEESA-N 2 1 368.522 0.308 20 0 FCADMP COC[C@]1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000574036602 491470246 /nfs/dbraw/zinc/47/02/46/491470246.db2.gz RWRQHZYBDKOWRI-NRFANRHFSA-N 2 1 374.529 0.937 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000559439701 491472802 /nfs/dbraw/zinc/47/28/02/491472802.db2.gz MDDGZFBTNXGRGJ-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000559439701 491472805 /nfs/dbraw/zinc/47/28/05/491472805.db2.gz MDDGZFBTNXGRGJ-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000559439701 491472808 /nfs/dbraw/zinc/47/28/08/491472808.db2.gz MDDGZFBTNXGRGJ-ARFHVFGLSA-N 2 1 354.495 0.058 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)C1 ZINC000574150766 491477373 /nfs/dbraw/zinc/47/73/73/491477373.db2.gz GAPROAOESGNZDY-OALUTQOASA-N 2 1 371.485 0.731 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000566956863 491477418 /nfs/dbraw/zinc/47/74/18/491477418.db2.gz MYIHPOXIESOZCN-ZWKOTPCHSA-N 2 1 373.501 0.824 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000574188549 491480245 /nfs/dbraw/zinc/48/02/45/491480245.db2.gz QGUSSOXXJLTVMB-HNNXBMFYSA-N 2 1 364.515 0.632 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559589493 491483166 /nfs/dbraw/zinc/48/31/66/491483166.db2.gz WTDYXEHRORADQW-AWEZNQCLSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559589493 491483168 /nfs/dbraw/zinc/48/31/68/491483168.db2.gz WTDYXEHRORADQW-AWEZNQCLSA-N 2 1 366.506 0.033 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000574285497 491486714 /nfs/dbraw/zinc/48/67/14/491486714.db2.gz IEAFUYQPTRRHSF-KRWDZBQOSA-N 2 1 350.507 0.764 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000574285499 491486735 /nfs/dbraw/zinc/48/67/35/491486735.db2.gz IEAFUYQPTRRHSF-QGZVFWFLSA-N 2 1 350.507 0.764 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000559747227 491495559 /nfs/dbraw/zinc/49/55/59/491495559.db2.gz VHDRNFHUNOBVQW-HIFRSBDPSA-N 2 1 350.488 0.820 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000559747227 491495561 /nfs/dbraw/zinc/49/55/61/491495561.db2.gz VHDRNFHUNOBVQW-HIFRSBDPSA-N 2 1 350.488 0.820 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000559762455 491497685 /nfs/dbraw/zinc/49/76/85/491497685.db2.gz GCMRZZQBJDXFLM-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000559762455 491497688 /nfs/dbraw/zinc/49/76/88/491497688.db2.gz GCMRZZQBJDXFLM-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000559762455 491497691 /nfs/dbraw/zinc/49/76/91/491497691.db2.gz GCMRZZQBJDXFLM-BBWFWOEESA-N 2 1 350.507 0.920 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000574585406 491506830 /nfs/dbraw/zinc/50/68/30/491506830.db2.gz VLJANOFPMLVLKD-RCCFBDPRSA-N 2 1 356.470 0.812 20 0 FCADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567481335 491508843 /nfs/dbraw/zinc/50/88/43/491508843.db2.gz OQXRUJPURQOZHX-IKGGRYGDSA-N 2 1 374.485 0.311 20 0 FCADMP C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488053 491509369 /nfs/dbraw/zinc/50/93/69/491509369.db2.gz DNCJJRASMHPVFF-NXHRZFHOSA-N 2 1 373.501 0.850 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574666356 491511699 /nfs/dbraw/zinc/51/16/99/491511699.db2.gz CKFMNHRSCHMOBI-MJGOQNOKSA-N 2 1 374.533 0.400 20 0 FCADMP Cc1ccc(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000559979792 491513077 /nfs/dbraw/zinc/51/30/77/491513077.db2.gz MBNXZWPOMKMOTB-UHFFFAOYSA-N 2 1 362.474 0.878 20 0 FCADMP CCO[C@@H](C)c1noc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000574695140 491514048 /nfs/dbraw/zinc/51/40/48/491514048.db2.gz YRCNURWMGQXMMS-HNNXBMFYSA-N 2 1 352.483 0.190 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCCC1 ZINC000560015475 491514705 /nfs/dbraw/zinc/51/47/05/491514705.db2.gz NMYGKZBVPGQOOX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567581237 491515294 /nfs/dbraw/zinc/51/52/94/491515294.db2.gz JUUOFHURJAZMKH-KSZLIROESA-N 2 1 368.522 0.776 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567581237 491515295 /nfs/dbraw/zinc/51/52/95/491515295.db2.gz JUUOFHURJAZMKH-KSZLIROESA-N 2 1 368.522 0.776 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560027867 491516531 /nfs/dbraw/zinc/51/65/31/491516531.db2.gz MOJZQRSGUUKVGD-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP COC(=O)[C@](C)(O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574839279 491523118 /nfs/dbraw/zinc/52/31/18/491523118.db2.gz IBRQTNILPJCCDE-RLFYNMQTSA-N 2 1 358.479 0.501 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567735716 491525890 /nfs/dbraw/zinc/52/58/90/491525890.db2.gz QREKHGNARIOBHR-OKZBNKHCSA-N 2 1 358.486 0.950 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000575119132 491540218 /nfs/dbraw/zinc/54/02/18/491540218.db2.gz DZFORHCOKAODRD-FRQCXROJSA-N 2 1 350.507 0.825 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596236 491546598 /nfs/dbraw/zinc/54/65/98/491546598.db2.gz LRTVFGLTRCEACS-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000560667846 491551548 /nfs/dbraw/zinc/55/15/48/491551548.db2.gz WFXNRZLNYHRNAW-MRXNPFEDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000560667846 491551550 /nfs/dbraw/zinc/55/15/50/491551550.db2.gz WFXNRZLNYHRNAW-MRXNPFEDSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000560667846 491551551 /nfs/dbraw/zinc/55/15/51/491551551.db2.gz WFXNRZLNYHRNAW-MRXNPFEDSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000560732909 491554285 /nfs/dbraw/zinc/55/42/85/491554285.db2.gz MAHQCLQPUNKLLF-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000560793822 491558110 /nfs/dbraw/zinc/55/81/10/491558110.db2.gz QNFGODVCKSHSQI-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000560793822 491558111 /nfs/dbraw/zinc/55/81/11/491558111.db2.gz QNFGODVCKSHSQI-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000560793822 491558112 /nfs/dbraw/zinc/55/81/12/491558112.db2.gz QNFGODVCKSHSQI-SJORKVTESA-N 2 1 367.538 0.119 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1=O ZINC000560835337 491559714 /nfs/dbraw/zinc/55/97/14/491559714.db2.gz QXTPVHADQCBWKI-OALUTQOASA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1=O ZINC000560835337 491559715 /nfs/dbraw/zinc/55/97/15/491559715.db2.gz QXTPVHADQCBWKI-OALUTQOASA-N 2 1 372.513 0.782 20 0 FCADMP C[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000575780413 491560627 /nfs/dbraw/zinc/56/06/27/491560627.db2.gz BAUZNNKWSIGNDT-QGZVFWFLSA-N 2 1 373.501 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000575820482 491563338 /nfs/dbraw/zinc/56/33/38/491563338.db2.gz BVGVZORJGOYAEZ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000575820482 491563339 /nfs/dbraw/zinc/56/33/39/491563339.db2.gz BVGVZORJGOYAEZ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000575820482 491563340 /nfs/dbraw/zinc/56/33/40/491563340.db2.gz BVGVZORJGOYAEZ-BRWVUGGUSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000568373557 491572274 /nfs/dbraw/zinc/57/22/74/491572274.db2.gz FZMVBOXZEJVIJZ-QXSJWSMHSA-N 2 1 350.507 0.809 20 0 FCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000568392639 491574047 /nfs/dbraw/zinc/57/40/47/491574047.db2.gz RWYJHNGQISWODU-SNVBAGLBSA-N 2 1 352.357 0.062 20 0 FCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000568392639 491574048 /nfs/dbraw/zinc/57/40/48/491574048.db2.gz RWYJHNGQISWODU-SNVBAGLBSA-N 2 1 352.357 0.062 20 0 FCADMP [NH3+]CCn1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)nn1 ZINC000568416308 491576173 /nfs/dbraw/zinc/57/61/73/491576173.db2.gz TWNILBDYXWINOU-UHFFFAOYSA-N 2 1 350.467 0.249 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000561121469 491576620 /nfs/dbraw/zinc/57/66/20/491576620.db2.gz MYDLNUBLDIHZLX-DOTOQJQBSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561121469 491576621 /nfs/dbraw/zinc/57/66/21/491576621.db2.gz MYDLNUBLDIHZLX-DOTOQJQBSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561121469 491576622 /nfs/dbraw/zinc/57/66/22/491576622.db2.gz MYDLNUBLDIHZLX-DOTOQJQBSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576044287 491578005 /nfs/dbraw/zinc/57/80/05/491578005.db2.gz NZYGNCUDYKSAJE-KZNAEPCWSA-N 2 1 372.517 0.835 20 0 FCADMP COC(=O)CCCN1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000561224851 491585839 /nfs/dbraw/zinc/58/58/39/491585839.db2.gz FTEXPLSILBFKLE-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000584425255 491590072 /nfs/dbraw/zinc/59/00/72/491590072.db2.gz ONERPFWIXPHBLW-HZPDHXFCSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584460155 491593796 /nfs/dbraw/zinc/59/37/96/491593796.db2.gz HYYXZBSXSMFRDE-BZUAXINKSA-N 2 1 354.495 0.202 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000577280944 491609428 /nfs/dbraw/zinc/60/94/28/491609428.db2.gz DGCRUVISQLLJKT-IAGOWNOFSA-N 2 1 366.506 0.348 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000561623062 491621382 /nfs/dbraw/zinc/62/13/82/491621382.db2.gz YQHDMUOQUJSNPC-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000561677331 491624900 /nfs/dbraw/zinc/62/49/00/491624900.db2.gz VQZILEQNDMPMLD-INIZCTEOSA-N 2 1 368.522 0.593 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000673673330 493356060 /nfs/dbraw/zinc/35/60/60/493356060.db2.gz UUVURULLRKOWIU-SFHVURJKSA-N 2 1 352.523 0.630 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000576626618 491631095 /nfs/dbraw/zinc/63/10/95/491631095.db2.gz AKZGQXSBPMVDIW-JKSUJKDBSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000576626618 491631096 /nfs/dbraw/zinc/63/10/96/491631096.db2.gz AKZGQXSBPMVDIW-JKSUJKDBSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000577594224 491634412 /nfs/dbraw/zinc/63/44/12/491634412.db2.gz DULXNYFRLVIVGU-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000577594224 491634414 /nfs/dbraw/zinc/63/44/14/491634414.db2.gz DULXNYFRLVIVGU-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000577672587 491641829 /nfs/dbraw/zinc/64/18/29/491641829.db2.gz XQKPTHMNPIOANN-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000577672587 491641830 /nfs/dbraw/zinc/64/18/30/491641830.db2.gz XQKPTHMNPIOANN-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000577672587 491641831 /nfs/dbraw/zinc/64/18/31/491641831.db2.gz XQKPTHMNPIOANN-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000577692726 491643271 /nfs/dbraw/zinc/64/32/71/491643271.db2.gz NJZSAIHMHCFFHG-SFHVURJKSA-N 2 1 366.506 0.335 20 0 FCADMP C[C@]1(C(N)=O)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000577692726 491643273 /nfs/dbraw/zinc/64/32/73/491643273.db2.gz NJZSAIHMHCFFHG-SFHVURJKSA-N 2 1 366.506 0.335 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000562001519 491645986 /nfs/dbraw/zinc/64/59/86/491645986.db2.gz MFSPLZUGPFVVAG-HOTGVXAUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000562001519 491645988 /nfs/dbraw/zinc/64/59/88/491645988.db2.gz MFSPLZUGPFVVAG-HOTGVXAUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000569349551 491654728 /nfs/dbraw/zinc/65/47/28/491654728.db2.gz LXCARGFMOKBEDS-IBGZPJMESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000576900450 491654729 /nfs/dbraw/zinc/65/47/29/491654729.db2.gz CXGVOWSDCZRWCO-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900450 491654730 /nfs/dbraw/zinc/65/47/30/491654730.db2.gz CXGVOWSDCZRWCO-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900450 491654734 /nfs/dbraw/zinc/65/47/34/491654734.db2.gz CXGVOWSDCZRWCO-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000577850783 491656855 /nfs/dbraw/zinc/65/68/55/491656855.db2.gz LKWCHOMNCOMXPQ-XHSDSOJGSA-N 2 1 374.485 0.963 20 0 FCADMP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000577850783 491656857 /nfs/dbraw/zinc/65/68/57/491656857.db2.gz LKWCHOMNCOMXPQ-XHSDSOJGSA-N 2 1 374.485 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569440173 491661843 /nfs/dbraw/zinc/66/18/43/491661843.db2.gz QOWVYRUJQGHTIJ-BFYDXBDKSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313961 491674475 /nfs/dbraw/zinc/67/44/75/491674475.db2.gz GXTHYDAFZRFJAI-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610393 491680736 /nfs/dbraw/zinc/68/07/36/491680736.db2.gz PFKCHLUHHYNIKD-NNXHMXCWSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)CC2 ZINC000578633363 491681334 /nfs/dbraw/zinc/68/13/34/491681334.db2.gz LMGDRTIDUVDBSR-WBVHZDCISA-N 2 1 359.474 0.519 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000578633363 491681335 /nfs/dbraw/zinc/68/13/35/491681335.db2.gz LMGDRTIDUVDBSR-WBVHZDCISA-N 2 1 359.474 0.519 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043265 491689899 /nfs/dbraw/zinc/68/98/99/491689899.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[N@H+](C)C1CC1 ZINC000579043265 491689900 /nfs/dbraw/zinc/68/99/00/491689900.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000579043265 491689901 /nfs/dbraw/zinc/68/99/01/491689901.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 2 1 368.566 0.291 20 0 FCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579212963 491693080 /nfs/dbraw/zinc/69/30/80/491693080.db2.gz CHKDZBYCJJJUPI-YQQAZPJKSA-N 2 1 362.474 0.198 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579225388 491693402 /nfs/dbraw/zinc/69/34/02/491693402.db2.gz HDUZZOOCLVOTSC-HDICACEKSA-N 2 1 356.470 0.399 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000579231514 491693636 /nfs/dbraw/zinc/69/36/36/491693636.db2.gz JAUFKRYRHHSMSI-IBGZPJMESA-N 3 1 365.566 0.546 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231514 491693637 /nfs/dbraw/zinc/69/36/37/491693637.db2.gz JAUFKRYRHHSMSI-IBGZPJMESA-N 2 1 365.566 0.546 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231514 491693638 /nfs/dbraw/zinc/69/36/38/491693638.db2.gz JAUFKRYRHHSMSI-IBGZPJMESA-N 2 1 365.566 0.546 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000579456237 491698115 /nfs/dbraw/zinc/69/81/15/491698115.db2.gz HGVLIZSEQOBKRY-CABCVRRESA-N 2 1 364.494 0.461 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000579461779 491698170 /nfs/dbraw/zinc/69/81/70/491698170.db2.gz SZFIBZBTVOXRFS-UHFFFAOYSA-N 2 1 368.522 0.676 20 0 FCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000579529333 491699708 /nfs/dbraw/zinc/69/97/08/491699708.db2.gz BHFXAGIOXSOALK-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000579529333 491699709 /nfs/dbraw/zinc/69/97/09/491699709.db2.gz BHFXAGIOXSOALK-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000579945088 491710281 /nfs/dbraw/zinc/71/02/81/491710281.db2.gz LNEAPPVFLCDBDY-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000579945088 491710282 /nfs/dbraw/zinc/71/02/82/491710282.db2.gz LNEAPPVFLCDBDY-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000584789526 491714440 /nfs/dbraw/zinc/71/44/40/491714440.db2.gz ZCKBVAYCSGLVES-OALUTQOASA-N 2 1 360.502 0.246 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584793680 491714824 /nfs/dbraw/zinc/71/48/24/491714824.db2.gz RLQLKXCOAZFZOH-UBDQQSCGSA-N 2 1 371.485 0.460 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000580062706 491715562 /nfs/dbraw/zinc/71/55/62/491715562.db2.gz WBCYWYIBRSDAEX-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@@H+]1CCOC ZINC000580197169 491721450 /nfs/dbraw/zinc/72/14/50/491721450.db2.gz SMIDTVJNUJOATD-MRXNPFEDSA-N 2 1 364.494 0.776 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[N@H+]1CCOC ZINC000580197169 491721451 /nfs/dbraw/zinc/72/14/51/491721451.db2.gz SMIDTVJNUJOATD-MRXNPFEDSA-N 2 1 364.494 0.776 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000580253875 491723362 /nfs/dbraw/zinc/72/33/62/491723362.db2.gz ADMIFAYRRFMUFE-INIZCTEOSA-N 2 1 370.563 0.636 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000580253875 491723364 /nfs/dbraw/zinc/72/33/64/491723364.db2.gz ADMIFAYRRFMUFE-INIZCTEOSA-N 2 1 370.563 0.636 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000580291403 491724159 /nfs/dbraw/zinc/72/41/59/491724159.db2.gz PJTRAQBOYQXIII-MRXNPFEDSA-N 2 1 354.495 0.063 20 0 FCADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000580542394 491735212 /nfs/dbraw/zinc/73/52/12/491735212.db2.gz CFLDPUUTVDBWKG-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000580542394 491735213 /nfs/dbraw/zinc/73/52/13/491735213.db2.gz CFLDPUUTVDBWKG-CQSZACIVSA-N 2 1 362.478 0.641 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000580584067 491737256 /nfs/dbraw/zinc/73/72/56/491737256.db2.gz QBAILONSKZTIPL-QGZVFWFLSA-N 2 1 352.523 0.929 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC000580786203 491746077 /nfs/dbraw/zinc/74/60/77/491746077.db2.gz JKYYLZYIBSGXOU-UHFFFAOYSA-N 2 1 364.412 0.541 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000580861052 491749392 /nfs/dbraw/zinc/74/93/92/491749392.db2.gz RBVNYHJCEGZLEF-PMPSAXMXSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000580861052 491749394 /nfs/dbraw/zinc/74/93/94/491749394.db2.gz RBVNYHJCEGZLEF-PMPSAXMXSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000580861052 491749396 /nfs/dbraw/zinc/74/93/96/491749396.db2.gz RBVNYHJCEGZLEF-PMPSAXMXSA-N 2 1 350.507 0.990 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589219134 491757702 /nfs/dbraw/zinc/75/77/02/491757702.db2.gz BRYBOQRYNJHHQT-SJORKVTESA-N 2 1 365.522 0.809 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000660532353 493360531 /nfs/dbraw/zinc/36/05/31/493360531.db2.gz HAKUDEIFFUGGAU-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC(C[NH3+])CC1 ZINC000581240663 491765440 /nfs/dbraw/zinc/76/54/40/491765440.db2.gz VPDPQEZVHQDUIQ-MRXNPFEDSA-N 2 1 360.506 0.972 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581300680 491767655 /nfs/dbraw/zinc/76/76/55/491767655.db2.gz LQWOIWWCPVJZGT-QGTPRVQTSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581300680 491767657 /nfs/dbraw/zinc/76/76/57/491767657.db2.gz LQWOIWWCPVJZGT-QGTPRVQTSA-N 2 1 374.485 0.246 20 0 FCADMP Cn1cc(-c2ncc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cn2)cn1 ZINC000581326256 491768920 /nfs/dbraw/zinc/76/89/20/491768920.db2.gz MBVSJTQEDFNSOZ-UHFFFAOYSA-N 2 1 371.489 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)CCCO1 ZINC000581450050 491773645 /nfs/dbraw/zinc/77/36/45/491773645.db2.gz QWURERRGDAASAU-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCCO1 ZINC000581450050 491773647 /nfs/dbraw/zinc/77/36/47/491773647.db2.gz QWURERRGDAASAU-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CCCO1 ZINC000581450050 491773648 /nfs/dbraw/zinc/77/36/48/491773648.db2.gz QWURERRGDAASAU-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000581613734 491779983 /nfs/dbraw/zinc/77/99/83/491779983.db2.gz UYLCJCLJGYUNPZ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581613734 491779985 /nfs/dbraw/zinc/77/99/85/491779985.db2.gz UYLCJCLJGYUNPZ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000581613734 491779987 /nfs/dbraw/zinc/77/99/87/491779987.db2.gz UYLCJCLJGYUNPZ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCN(c2nc(OC)nc(N3CC[N@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000582067600 491796716 /nfs/dbraw/zinc/79/67/16/491796716.db2.gz APKNAIHTOMJEEN-HUUCEWRRSA-N 2 1 363.510 0.941 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000591337992 491803157 /nfs/dbraw/zinc/80/31/57/491803157.db2.gz BXOSCCVGXCVAMB-ZDUSSCGKSA-N 2 1 352.439 0.013 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)CC1 ZINC000582238955 491803819 /nfs/dbraw/zinc/80/38/19/491803819.db2.gz DBXUELSCZYJYCE-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000582367547 491809568 /nfs/dbraw/zinc/80/95/68/491809568.db2.gz TVEFOTOGDUSWDL-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000582656322 491821358 /nfs/dbraw/zinc/82/13/58/491821358.db2.gz SXOUAIBLXALCOV-UHFFFAOYSA-N 2 1 352.385 0.133 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000582726990 491824126 /nfs/dbraw/zinc/82/41/26/491824126.db2.gz ZSNLFHMPZSEHDE-RRFJBIMHSA-N 2 1 350.463 0.598 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000582727301 491824315 /nfs/dbraw/zinc/82/43/15/491824315.db2.gz GOJXJUBWHVOKRB-GOSISDBHSA-N 2 1 362.522 0.955 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000582779607 491826389 /nfs/dbraw/zinc/82/63/89/491826389.db2.gz DNJRJBAWFXYZSY-XMTFNYHQSA-N 2 1 356.470 0.492 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000582932885 491833043 /nfs/dbraw/zinc/83/30/43/491833043.db2.gz WOZXQXLZACXNKB-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253365 491840808 /nfs/dbraw/zinc/84/08/08/491840808.db2.gz QOZMQHSSSYHGMH-ZIAGYGMSSA-N 2 1 354.495 0.548 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)c2cccs2)CC1 ZINC000583259627 491840989 /nfs/dbraw/zinc/84/09/89/491840989.db2.gz IVWWGHUSICVUHR-HOTGVXAUSA-N 2 1 366.531 0.921 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000583371834 491843555 /nfs/dbraw/zinc/84/35/55/491843555.db2.gz YLZULZPAQBCPSX-OAHLLOKOSA-N 2 1 350.438 0.571 20 0 FCADMP O=C(COC1CC[NH2+]CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000583378932 491843693 /nfs/dbraw/zinc/84/36/93/491843693.db2.gz VXVIHSJEVIIDSI-UHFFFAOYSA-N 2 1 374.485 0.216 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000583529220 491846770 /nfs/dbraw/zinc/84/67/70/491846770.db2.gz CJADFXPLDFSRNL-JKSUJKDBSA-N 2 1 361.490 0.798 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+](C)C1 ZINC000583552070 491847339 /nfs/dbraw/zinc/84/73/39/491847339.db2.gz CDHBBKXEAUNQMO-QZTJIDSGSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552070 491847340 /nfs/dbraw/zinc/84/73/40/491847340.db2.gz CDHBBKXEAUNQMO-QZTJIDSGSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552070 491847341 /nfs/dbraw/zinc/84/73/41/491847341.db2.gz CDHBBKXEAUNQMO-QZTJIDSGSA-N 2 1 374.485 0.857 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000583861793 491853395 /nfs/dbraw/zinc/85/33/95/491853395.db2.gz VUWKVJUHGJXXSO-OIDVLUPKSA-N 2 1 362.518 0.951 20 0 FCADMP CN1CC[NH+](CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000584002929 491856418 /nfs/dbraw/zinc/85/64/18/491856418.db2.gz PRXMIZQKMDPLBF-KRWDZBQOSA-N 2 1 354.564 0.958 20 0 FCADMP CC(C)[NH2+]CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584042988 491857137 /nfs/dbraw/zinc/85/71/37/491857137.db2.gz MTBJKPXVPAUDMZ-UHFFFAOYSA-N 2 1 363.510 0.676 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000584099140 491858409 /nfs/dbraw/zinc/85/84/09/491858409.db2.gz CNTNMBDVICTBHN-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000584249331 491861703 /nfs/dbraw/zinc/86/17/03/491861703.db2.gz GZRAVFSLDKCRDL-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@H](C)O1 ZINC000584281636 491862155 /nfs/dbraw/zinc/86/21/55/491862155.db2.gz KDHNCGOWYDBBAH-GZUVBVDASA-N 2 1 366.506 0.504 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)C[C@H](C)O1 ZINC000584281636 491862156 /nfs/dbraw/zinc/86/21/56/491862156.db2.gz KDHNCGOWYDBBAH-GZUVBVDASA-N 2 1 366.506 0.504 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000611638910 491864565 /nfs/dbraw/zinc/86/45/65/491864565.db2.gz YFIPZKHAVFJDQL-PBHICJAKSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000611673186 491867237 /nfs/dbraw/zinc/86/72/37/491867237.db2.gz KGEWJXGKCZDBDT-XHSDSOJGSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611673186 491867239 /nfs/dbraw/zinc/86/72/39/491867239.db2.gz KGEWJXGKCZDBDT-XHSDSOJGSA-N 2 1 354.495 0.058 20 0 FCADMP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CCCCC1 ZINC000595273705 491910427 /nfs/dbraw/zinc/91/04/27/491910427.db2.gz LPLBNAXXFRFOPI-IRXDYDNUSA-N 2 1 365.522 0.985 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000612484156 491924680 /nfs/dbraw/zinc/92/46/80/491924680.db2.gz DUTKUBHNYLKWEV-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000612550960 491933327 /nfs/dbraw/zinc/93/33/27/491933327.db2.gz BSWBAUBXTVGHIE-KRWDZBQOSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612592179 491936336 /nfs/dbraw/zinc/93/63/36/491936336.db2.gz NSYYJDCVLJRVQF-HOTGVXAUSA-N 2 1 366.506 0.345 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595909232 491960771 /nfs/dbraw/zinc/96/07/71/491960771.db2.gz QVKSFZNQBFTWCE-GFCCVEGCSA-N 2 1 362.478 0.900 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595909232 491960774 /nfs/dbraw/zinc/96/07/74/491960774.db2.gz QVKSFZNQBFTWCE-GFCCVEGCSA-N 2 1 362.478 0.900 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604173554 492052786 /nfs/dbraw/zinc/05/27/86/492052786.db2.gz OXIWSEOVOGZDIA-HNNXBMFYSA-N 2 1 351.495 0.513 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604173554 492052788 /nfs/dbraw/zinc/05/27/88/492052788.db2.gz OXIWSEOVOGZDIA-HNNXBMFYSA-N 2 1 351.495 0.513 20 0 FCADMP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604182385 492053061 /nfs/dbraw/zinc/05/30/61/492053061.db2.gz FKZZTFLQUFWPHO-MRXNPFEDSA-N 2 1 358.490 0.869 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604376214 492059090 /nfs/dbraw/zinc/05/90/90/492059090.db2.gz JAQCPVIAXPSUPU-GOSISDBHSA-N 2 1 368.522 0.012 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604376214 492059092 /nfs/dbraw/zinc/05/90/92/492059092.db2.gz JAQCPVIAXPSUPU-GOSISDBHSA-N 2 1 368.522 0.012 20 0 FCADMP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604649520 492065700 /nfs/dbraw/zinc/06/57/00/492065700.db2.gz KEUUUUQXWBIGDT-SFHVURJKSA-N 2 1 367.538 0.424 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604646565 492065821 /nfs/dbraw/zinc/06/58/21/492065821.db2.gz YTGXBEWKMAPBBD-SJORKVTESA-N 2 1 355.527 0.422 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000606436735 492122383 /nfs/dbraw/zinc/12/23/83/492122383.db2.gz HWBMLDJMKHUCSU-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000606436735 492122384 /nfs/dbraw/zinc/12/23/84/492122384.db2.gz HWBMLDJMKHUCSU-QZTJIDSGSA-N 2 1 352.523 0.726 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000607229587 492141656 /nfs/dbraw/zinc/14/16/56/492141656.db2.gz NPERFBWTPNFEKK-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000607229587 492141662 /nfs/dbraw/zinc/14/16/62/492141662.db2.gz NPERFBWTPNFEKK-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000607229587 492141663 /nfs/dbraw/zinc/14/16/63/492141663.db2.gz NPERFBWTPNFEKK-UHFFFAOYSA-N 2 1 369.554 0.501 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCn1cncn1 ZINC000608630999 492182922 /nfs/dbraw/zinc/18/29/22/492182922.db2.gz MTACZRHHXDRGHL-INIZCTEOSA-N 2 1 351.499 0.726 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000608690873 492187612 /nfs/dbraw/zinc/18/76/12/492187612.db2.gz OXAVQUTWGURNNA-INIZCTEOSA-N 2 1 365.522 0.844 20 0 FCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608764688 492191878 /nfs/dbraw/zinc/19/18/78/492191878.db2.gz CGVWBOIWULUFCB-NRFANRHFSA-N 2 1 374.529 0.719 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608764688 492191881 /nfs/dbraw/zinc/19/18/81/492191881.db2.gz CGVWBOIWULUFCB-NRFANRHFSA-N 2 1 374.529 0.719 20 0 FCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608764688 492191883 /nfs/dbraw/zinc/19/18/83/492191883.db2.gz CGVWBOIWULUFCB-NRFANRHFSA-N 2 1 374.529 0.719 20 0 FCADMP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600092954 492244080 /nfs/dbraw/zinc/24/40/80/492244080.db2.gz UCSRZENUJJOVGL-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600092954 492244081 /nfs/dbraw/zinc/24/40/81/492244081.db2.gz UCSRZENUJJOVGL-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000600119191 492246310 /nfs/dbraw/zinc/24/63/10/492246310.db2.gz MQCJEQWAOGUCJZ-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000600119191 492246312 /nfs/dbraw/zinc/24/63/12/492246312.db2.gz MQCJEQWAOGUCJZ-DOTOQJQBSA-N 2 1 366.506 0.299 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000611374365 492287241 /nfs/dbraw/zinc/28/72/41/492287241.db2.gz VDTPLFFKUASINA-CABCVRRESA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000611374365 492287242 /nfs/dbraw/zinc/28/72/42/492287242.db2.gz VDTPLFFKUASINA-CABCVRRESA-N 2 1 354.495 0.996 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373785 492287253 /nfs/dbraw/zinc/28/72/53/492287253.db2.gz OIYPFTFXOVLNAG-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373785 492287254 /nfs/dbraw/zinc/28/72/54/492287254.db2.gz OIYPFTFXOVLNAG-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373785 492287255 /nfs/dbraw/zinc/28/72/55/492287255.db2.gz OIYPFTFXOVLNAG-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000611373785 492287256 /nfs/dbraw/zinc/28/72/56/492287256.db2.gz OIYPFTFXOVLNAG-GOEBONIOSA-N 2 1 352.479 0.750 20 0 FCADMP O=C(NCCCn1ccnc1)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641735067 492300735 /nfs/dbraw/zinc/30/07/35/492300735.db2.gz LYXZEAPNVIXHKO-KRWDZBQOSA-N 2 1 364.494 0.369 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)C1 ZINC000647552520 492303410 /nfs/dbraw/zinc/30/34/10/492303410.db2.gz DKDBXUDIPMQRSD-KXBFYZLASA-N 2 1 370.497 0.889 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641782697 492305559 /nfs/dbraw/zinc/30/55/59/492305559.db2.gz DWRHPJPBYXMWDT-HNNXBMFYSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627469649 492309245 /nfs/dbraw/zinc/30/92/45/492309245.db2.gz ATJBDFPYDGZJOW-ZWKOTPCHSA-N 2 1 374.485 0.214 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824230 492310172 /nfs/dbraw/zinc/31/01/72/492310172.db2.gz GQHFZZQOVVJVGH-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824230 492310175 /nfs/dbraw/zinc/31/01/75/492310175.db2.gz GQHFZZQOVVJVGH-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1(C)C ZINC000641825373 492310232 /nfs/dbraw/zinc/31/02/32/492310232.db2.gz SQTAQPXEGIATOR-OAHLLOKOSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1(C)C ZINC000641825373 492310235 /nfs/dbraw/zinc/31/02/35/492310235.db2.gz SQTAQPXEGIATOR-OAHLLOKOSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825415 492311059 /nfs/dbraw/zinc/31/10/59/492311059.db2.gz USPGEZNNSPNETE-ARFHVFGLSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1(C)C ZINC000641825415 492311062 /nfs/dbraw/zinc/31/10/62/492311062.db2.gz USPGEZNNSPNETE-ARFHVFGLSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473280 492311578 /nfs/dbraw/zinc/31/15/78/492311578.db2.gz KSCKFWFHAIBYJI-ZACQAIPSSA-N 2 1 366.506 0.204 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568012 492316273 /nfs/dbraw/zinc/31/62/73/492316273.db2.gz FROXNBFRICCXEC-QGZVFWFLSA-N 2 1 373.501 0.981 20 0 FCADMP CCCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568012 492316275 /nfs/dbraw/zinc/31/62/75/492316275.db2.gz FROXNBFRICCXEC-QGZVFWFLSA-N 2 1 373.501 0.981 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc(N2CCCC2)n1 ZINC000654567698 492321350 /nfs/dbraw/zinc/32/13/50/492321350.db2.gz UVXJNYYXCPPJSC-DLBZAZTESA-N 2 1 359.474 0.951 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000654567698 492321355 /nfs/dbraw/zinc/32/13/55/492321355.db2.gz UVXJNYYXCPPJSC-DLBZAZTESA-N 2 1 359.474 0.951 20 0 FCADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000627504760 492325720 /nfs/dbraw/zinc/32/57/20/492325720.db2.gz FKGSOHFPCHWHDM-CGTJXYLNSA-N 2 1 358.486 0.976 20 0 FCADMP CC1([NH3+])CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000642076208 492332006 /nfs/dbraw/zinc/33/20/06/492332006.db2.gz JZHLBHDBAWYSDF-UHFFFAOYSA-N 2 1 366.506 0.478 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000642101812 492334762 /nfs/dbraw/zinc/33/47/62/492334762.db2.gz QWZZGWAQHIXPJZ-FGTMMUONSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642194117 492340089 /nfs/dbraw/zinc/34/00/89/492340089.db2.gz XRJJUTZKGQNQNN-CUSZFKRNSA-N 2 1 362.518 0.966 20 0 FCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253855 492345580 /nfs/dbraw/zinc/34/55/80/492345580.db2.gz LQKZWOFCFOLUNC-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642330444 492351683 /nfs/dbraw/zinc/35/16/83/492351683.db2.gz KIEYYADTZMATMP-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000642394751 492356872 /nfs/dbraw/zinc/35/68/72/492356872.db2.gz MOKYZXLISODPSU-QKPAOTATSA-N 2 1 368.522 0.576 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000642394751 492356873 /nfs/dbraw/zinc/35/68/73/492356873.db2.gz MOKYZXLISODPSU-QKPAOTATSA-N 2 1 368.522 0.576 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@@H](C)O1 ZINC000642394723 492356927 /nfs/dbraw/zinc/35/69/27/492356927.db2.gz GLTLIWDHGASANO-OWYFMNJBSA-N 2 1 366.506 0.186 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]1 ZINC000621152820 492359572 /nfs/dbraw/zinc/35/95/72/492359572.db2.gz FLKZYPIFPQQFAS-IRXDYDNUSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)NS(=O)(=O)NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634713280 492362530 /nfs/dbraw/zinc/36/25/30/492362530.db2.gz TVUXUVRDELEKAA-KRWDZBQOSA-N 2 1 370.519 0.045 20 0 FCADMP CC(C)NS(=O)(=O)NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713280 492362535 /nfs/dbraw/zinc/36/25/35/492362535.db2.gz TVUXUVRDELEKAA-KRWDZBQOSA-N 2 1 370.519 0.045 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000647818321 492365104 /nfs/dbraw/zinc/36/51/04/492365104.db2.gz MTXYNYZRFZATQG-ULQDDVLXSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000647818319 492365219 /nfs/dbraw/zinc/36/52/19/492365219.db2.gz MTXYNYZRFZATQG-BBWFWOEESA-N 2 1 366.506 0.286 20 0 FCADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835166 492368435 /nfs/dbraw/zinc/36/84/35/492368435.db2.gz PFBIKQQOQLBEJI-CQSZACIVSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835166 492368439 /nfs/dbraw/zinc/36/84/39/492368439.db2.gz PFBIKQQOQLBEJI-CQSZACIVSA-N 2 1 350.463 0.868 20 0 FCADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835048 492368686 /nfs/dbraw/zinc/36/86/86/492368686.db2.gz KKNVOQMTFRZECG-HOTGVXAUSA-N 2 1 362.474 0.168 20 0 FCADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835048 492368689 /nfs/dbraw/zinc/36/86/89/492368689.db2.gz KKNVOQMTFRZECG-HOTGVXAUSA-N 2 1 362.474 0.168 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645857 492369650 /nfs/dbraw/zinc/36/96/50/492369650.db2.gz CFPMLRSNHJKKLN-OALUTQOASA-N 2 1 372.513 0.926 20 0 FCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642707992 492376836 /nfs/dbraw/zinc/37/68/36/492376836.db2.gz DCIDATBTVBBREJ-SFHVURJKSA-N 2 1 374.485 0.393 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000642721938 492379534 /nfs/dbraw/zinc/37/95/34/492379534.db2.gz GKGMLZPMBOVISW-ZBFHGGJFSA-N 2 1 362.474 0.802 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729143 492381603 /nfs/dbraw/zinc/38/16/03/492381603.db2.gz SNGPGSFITUPSOV-UKRRQHHQSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729143 492381606 /nfs/dbraw/zinc/38/16/06/492381606.db2.gz SNGPGSFITUPSOV-UKRRQHHQSA-N 2 1 350.488 0.184 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642750510 492384837 /nfs/dbraw/zinc/38/48/37/492384837.db2.gz NNQXRPSBVKZUIX-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642750928 492384973 /nfs/dbraw/zinc/38/49/73/492384973.db2.gz XRNJDZQGPQNDAV-OAGGEKHMSA-N 2 1 354.495 0.189 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642756698 492386391 /nfs/dbraw/zinc/38/63/91/492386391.db2.gz XFOZTAJAQUUFDE-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759538 492386816 /nfs/dbraw/zinc/38/68/16/492386816.db2.gz LLLDPJOXRNLFHO-WBVHZDCISA-N 2 1 358.486 0.963 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756642 492386956 /nfs/dbraw/zinc/38/69/56/492386956.db2.gz CXBSUFKPSIPVBX-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000642778644 492388866 /nfs/dbraw/zinc/38/88/66/492388866.db2.gz BLSIAWVAPPEVPI-IBGZPJMESA-N 2 1 359.474 0.804 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000647978170 492390448 /nfs/dbraw/zinc/39/04/48/492390448.db2.gz NQYCQOSLOQNJMU-HUUCEWRRSA-N 2 1 374.489 0.145 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977115 492390627 /nfs/dbraw/zinc/39/06/27/492390627.db2.gz XYRXXKQNNADJPD-IAGOWNOFSA-N 2 1 350.507 0.827 20 0 FCADMP O=S(=O)([C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000647988752 492391759 /nfs/dbraw/zinc/39/17/59/492391759.db2.gz HLJYPWUTSYLKJF-QGZVFWFLSA-N 2 1 359.536 0.893 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000642892944 492397456 /nfs/dbraw/zinc/39/74/56/492397456.db2.gz DDZSTHTYAIDXTJ-SFHVURJKSA-N 2 1 358.486 0.898 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000642908457 492401740 /nfs/dbraw/zinc/40/17/40/492401740.db2.gz SDGQBZRGMIOJOD-MRXNPFEDSA-N 2 1 358.486 0.965 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918534 492404135 /nfs/dbraw/zinc/40/41/35/492404135.db2.gz YCVABSQJJNSPPZ-SFHVURJKSA-N 2 1 373.501 0.763 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621843244 492423714 /nfs/dbraw/zinc/42/37/14/492423714.db2.gz BIFGTUADUIPDFU-WFXMLNOXSA-N 2 1 370.497 0.965 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000655449988 492443976 /nfs/dbraw/zinc/44/39/76/492443976.db2.gz YNEUTVVWACLPEO-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622029308 492444238 /nfs/dbraw/zinc/44/42/38/492444238.db2.gz DMNUTDWQQJIIPR-KXBFYZLASA-N 2 1 366.506 0.143 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000655556293 492456637 /nfs/dbraw/zinc/45/66/37/492456637.db2.gz GTOAAHLPKATSIZ-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000655556293 492456640 /nfs/dbraw/zinc/45/66/40/492456640.db2.gz GTOAAHLPKATSIZ-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000655556293 492456644 /nfs/dbraw/zinc/45/66/44/492456644.db2.gz GTOAAHLPKATSIZ-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000655556562 492456680 /nfs/dbraw/zinc/45/66/80/492456680.db2.gz UFEZBVYMBDRHHT-QZTJIDSGSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000643481004 492477453 /nfs/dbraw/zinc/47/74/53/492477453.db2.gz XFTILKVROKMPII-IAGOWNOFSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643489793 492479549 /nfs/dbraw/zinc/47/95/49/492479549.db2.gz PZBGORSOLYJHJZ-YESZJQIVSA-N 2 1 350.507 0.635 20 0 FCADMP C[NH+]1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000655777704 492479640 /nfs/dbraw/zinc/47/96/40/492479640.db2.gz WEKNJRVIGBPJHU-LJQANCHMSA-N 3 1 366.550 0.626 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000655744667 492479960 /nfs/dbraw/zinc/47/99/60/492479960.db2.gz RZTKFZMHOHAYEJ-QOKNQOGYSA-N 2 1 364.490 0.940 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000643492467 492480400 /nfs/dbraw/zinc/48/04/00/492480400.db2.gz ZRVSQHBFZRCSOG-ARFHVFGLSA-N 2 1 357.458 0.234 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000643492460 492480526 /nfs/dbraw/zinc/48/05/26/492480526.db2.gz WKIMMILZLRUNDU-JKSUJKDBSA-N 2 1 359.474 0.624 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000643498003 492482369 /nfs/dbraw/zinc/48/23/69/492482369.db2.gz DOPVBBICFXPNKO-QBPKDAKJSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000643498033 492482808 /nfs/dbraw/zinc/48/28/08/492482808.db2.gz KRYDEUSYWALQTP-XHSDSOJGSA-N 2 1 366.506 0.426 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000643498033 492482811 /nfs/dbraw/zinc/48/28/11/492482811.db2.gz KRYDEUSYWALQTP-XHSDSOJGSA-N 2 1 366.506 0.426 20 0 FCADMP O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000643515643 492487418 /nfs/dbraw/zinc/48/74/18/492487418.db2.gz ADYHTLPHZGCSOM-IRXDYDNUSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000643540899 492494677 /nfs/dbraw/zinc/49/46/77/492494677.db2.gz PFYJTRGFERELRR-NUJGCVRESA-N 2 1 358.486 0.915 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[N@H+]1CCOC ZINC000643545021 492496035 /nfs/dbraw/zinc/49/60/35/492496035.db2.gz OPEWRUVRIJMEDP-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[N@@H+]1CCOC ZINC000643545021 492496031 /nfs/dbraw/zinc/49/60/31/492496031.db2.gz OPEWRUVRIJMEDP-IAGOWNOFSA-N 2 1 368.522 0.402 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@@H]2C1 ZINC000643550014 492497974 /nfs/dbraw/zinc/49/79/74/492497974.db2.gz TVHDYUSKJFNZSN-VIBAHUMZSA-N 2 1 374.460 0.631 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643585613 492500543 /nfs/dbraw/zinc/50/05/43/492500543.db2.gz HWKBYDJOBYQRPK-CEXWTWQISA-N 2 1 372.513 0.958 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643585613 492500548 /nfs/dbraw/zinc/50/05/48/492500548.db2.gz HWKBYDJOBYQRPK-CEXWTWQISA-N 2 1 372.513 0.958 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H]1Cc1ccccc1 ZINC000643590425 492501592 /nfs/dbraw/zinc/50/15/92/492501592.db2.gz ZVTNCLAAVGAGRB-NQIIRXRSSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H]1Cc1ccccc1 ZINC000643590425 492501597 /nfs/dbraw/zinc/50/15/97/492501597.db2.gz ZVTNCLAAVGAGRB-NQIIRXRSSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1Cc1ccccc1 ZINC000643590424 492501808 /nfs/dbraw/zinc/50/18/08/492501808.db2.gz ZVTNCLAAVGAGRB-GHTZIAJQSA-N 2 1 370.497 0.584 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1Cc1ccccc1 ZINC000643590424 492501811 /nfs/dbraw/zinc/50/18/11/492501811.db2.gz ZVTNCLAAVGAGRB-GHTZIAJQSA-N 2 1 370.497 0.584 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000643593650 492502786 /nfs/dbraw/zinc/50/27/86/492502786.db2.gz CAQFCVWAUJNEEE-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCOC3(CC[NH+](C)CC3)C1)n2C ZINC000649131241 492503305 /nfs/dbraw/zinc/50/33/05/492503305.db2.gz DQALEHFSYHOJCI-UHFFFAOYSA-N 2 1 372.473 0.971 20 0 FCADMP COC(CNC(=O)[C@@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635791578 492505743 /nfs/dbraw/zinc/50/57/43/492505743.db2.gz UAUCMISZRSFSFW-HOTGVXAUSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022771 492520039 /nfs/dbraw/zinc/52/00/39/492520039.db2.gz LVOQNTMOKWNGEL-BYNSBNAKSA-N 2 1 352.479 0.349 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000649283736 492521553 /nfs/dbraw/zinc/52/15/53/492521553.db2.gz BUDMACRXNBXDMH-MGPQQGTHSA-N 2 1 350.467 0.430 20 0 FCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656028578 492521547 /nfs/dbraw/zinc/52/15/47/492521547.db2.gz MPFQHMLVHYXOFO-IRXDYDNUSA-N 2 1 366.506 0.476 20 0 FCADMP CC(C)[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628584707 492525141 /nfs/dbraw/zinc/52/51/41/492525141.db2.gz JAQMBWLWJITTCD-VVLHAWIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628584707 492525145 /nfs/dbraw/zinc/52/51/45/492525145.db2.gz JAQMBWLWJITTCD-VVLHAWIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628584707 492525149 /nfs/dbraw/zinc/52/51/49/492525149.db2.gz JAQMBWLWJITTCD-VVLHAWIVSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628584707 492525152 /nfs/dbraw/zinc/52/51/52/492525152.db2.gz JAQMBWLWJITTCD-VVLHAWIVSA-N 2 1 368.522 0.576 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000628585263 492525657 /nfs/dbraw/zinc/52/56/57/492525657.db2.gz OILNFJGSYGRQAV-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628585263 492525660 /nfs/dbraw/zinc/52/56/60/492525660.db2.gz OILNFJGSYGRQAV-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628585263 492525663 /nfs/dbraw/zinc/52/56/63/492525663.db2.gz OILNFJGSYGRQAV-ROUUACIJSA-N 2 1 358.486 0.965 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649304218 492527580 /nfs/dbraw/zinc/52/75/80/492527580.db2.gz QLEZKMAQNQVDDL-INIZCTEOSA-N 2 1 360.458 0.178 20 0 FCADMP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+](C)CCc3ccccc3)CC2)C1=O ZINC000635925956 492528801 /nfs/dbraw/zinc/52/88/01/492528801.db2.gz DBVAJHMJLHPDII-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H](NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000649342266 492540053 /nfs/dbraw/zinc/54/00/53/492540053.db2.gz XJESVCVMPDVWPH-GJZGRUSLSA-N 2 1 362.478 0.576 20 0 FCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649350652 492544009 /nfs/dbraw/zinc/54/40/09/492544009.db2.gz WLCCZRFEJJLUGK-LJQANCHMSA-N 2 1 360.502 0.676 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000656084137 492545845 /nfs/dbraw/zinc/54/58/45/492545845.db2.gz VGNPEGIUUFOLBK-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)nn1 ZINC000649367825 492548070 /nfs/dbraw/zinc/54/80/70/492548070.db2.gz DHKSCBLJJNCRBT-MSOLQXFVSA-N 2 1 369.473 0.960 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)nn1 ZINC000649367825 492548074 /nfs/dbraw/zinc/54/80/74/492548074.db2.gz DHKSCBLJJNCRBT-MSOLQXFVSA-N 2 1 369.473 0.960 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000636282400 492574849 /nfs/dbraw/zinc/57/48/49/492574849.db2.gz KUDKEAOTRIZODK-IGKNDFSCSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000636282400 492574853 /nfs/dbraw/zinc/57/48/53/492574853.db2.gz KUDKEAOTRIZODK-IGKNDFSCSA-N 2 1 351.491 0.950 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000636282400 492574857 /nfs/dbraw/zinc/57/48/57/492574857.db2.gz KUDKEAOTRIZODK-IGKNDFSCSA-N 2 1 351.491 0.950 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656299093 492577854 /nfs/dbraw/zinc/57/78/54/492577854.db2.gz XAHNSNQWMGDNES-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656299093 492577861 /nfs/dbraw/zinc/57/78/61/492577861.db2.gz XAHNSNQWMGDNES-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656299093 492577865 /nfs/dbraw/zinc/57/78/65/492577865.db2.gz XAHNSNQWMGDNES-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000656307852 492582229 /nfs/dbraw/zinc/58/22/29/492582229.db2.gz XBYBSQUBKUBIIL-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000656307852 492582233 /nfs/dbraw/zinc/58/22/33/492582233.db2.gz XBYBSQUBKUBIIL-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000629168233 492582807 /nfs/dbraw/zinc/58/28/07/492582807.db2.gz KCMZHNQSHWWYET-GOSISDBHSA-N 2 1 352.523 0.366 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656320897 492591478 /nfs/dbraw/zinc/59/14/78/492591478.db2.gz XCMYJMUQXZTFAM-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656320897 492591481 /nfs/dbraw/zinc/59/14/81/492591481.db2.gz XCMYJMUQXZTFAM-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656320897 492591484 /nfs/dbraw/zinc/59/14/84/492591484.db2.gz XCMYJMUQXZTFAM-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H](C)O1 ZINC000636519337 492607182 /nfs/dbraw/zinc/60/71/82/492607182.db2.gz PDGZNOOKTAJZDD-OAGGEKHMSA-N 2 1 369.510 0.125 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000656357792 492612334 /nfs/dbraw/zinc/61/23/34/492612334.db2.gz MBWLIIIEFZTQES-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1C ZINC000656357792 492612336 /nfs/dbraw/zinc/61/23/36/492612336.db2.gz MBWLIIIEFZTQES-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1C ZINC000656357792 492612340 /nfs/dbraw/zinc/61/23/40/492612340.db2.gz MBWLIIIEFZTQES-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1C ZINC000656357792 492612345 /nfs/dbraw/zinc/61/23/45/492612345.db2.gz MBWLIIIEFZTQES-ULQDDVLXSA-N 2 1 350.507 0.918 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656360639 492613341 /nfs/dbraw/zinc/61/33/41/492613341.db2.gz UTTUSZMXQYQZIY-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CN1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636550209 492618761 /nfs/dbraw/zinc/61/87/61/492618761.db2.gz NMJZOOKFLJORJR-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636550209 492618767 /nfs/dbraw/zinc/61/87/67/492618767.db2.gz NMJZOOKFLJORJR-QGZVFWFLSA-N 2 1 365.522 0.857 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000636550559 492619327 /nfs/dbraw/zinc/61/93/27/492619327.db2.gz YHVAIQGZWTVVJB-UHFFFAOYSA-N 2 1 365.522 0.810 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624609934 492666048 /nfs/dbraw/zinc/66/60/48/492666048.db2.gz FRYAHJWZDUVNNK-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624609934 492666053 /nfs/dbraw/zinc/66/60/53/492666053.db2.gz FRYAHJWZDUVNNK-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629788190 492671700 /nfs/dbraw/zinc/67/17/00/492671700.db2.gz NAANAKLJLNJLDL-CHWSQXEVSA-N 2 1 364.412 0.526 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000629786395 492671777 /nfs/dbraw/zinc/67/17/77/492671777.db2.gz BGMVCTWVBRYFKR-UHFFFAOYSA-N 2 1 362.474 0.155 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629802775 492680710 /nfs/dbraw/zinc/68/07/10/492680710.db2.gz PTGXWFZTNUQZAW-WCQYABFASA-N 2 1 364.412 0.525 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000636753864 492681790 /nfs/dbraw/zinc/68/17/90/492681790.db2.gz ZTYCZFCCQCXYMJ-RBUKOAKNSA-N 2 1 360.502 0.917 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000629813633 492686334 /nfs/dbraw/zinc/68/63/34/492686334.db2.gz LCIWQGDTQWLYIT-QNWHQSFQSA-N 2 1 364.412 0.523 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000629813633 492686337 /nfs/dbraw/zinc/68/63/37/492686337.db2.gz LCIWQGDTQWLYIT-QNWHQSFQSA-N 2 1 364.412 0.523 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650952681 492687416 /nfs/dbraw/zinc/68/74/16/492687416.db2.gz LHELTWJJAZFEEG-QGZVFWFLSA-N 2 1 354.495 0.336 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650952681 492687420 /nfs/dbraw/zinc/68/74/20/492687420.db2.gz LHELTWJJAZFEEG-QGZVFWFLSA-N 2 1 354.495 0.336 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636798387 492697423 /nfs/dbraw/zinc/69/74/23/492697423.db2.gz BVFHKEFGTSBKRE-MRXNPFEDSA-N 2 1 350.467 0.992 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636798387 492697426 /nfs/dbraw/zinc/69/74/26/492697426.db2.gz BVFHKEFGTSBKRE-MRXNPFEDSA-N 2 1 350.467 0.992 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1nccn1CCc1ccccc1 ZINC000636902018 492724720 /nfs/dbraw/zinc/72/47/20/492724720.db2.gz HDYARNXYLOHLJL-KRWDZBQOSA-N 2 1 357.458 0.992 20 0 FCADMP O=C(NCCN1CC[C@H](O)C1)NCc1nccn1CCc1ccccc1 ZINC000636902018 492724722 /nfs/dbraw/zinc/72/47/22/492724722.db2.gz HDYARNXYLOHLJL-KRWDZBQOSA-N 2 1 357.458 0.992 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)CC2 ZINC000651231059 492725113 /nfs/dbraw/zinc/72/51/13/492725113.db2.gz NVJSKDGZEYCIBL-WMLDXEAASA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)CC2 ZINC000651231059 492725116 /nfs/dbraw/zinc/72/51/16/492725116.db2.gz NVJSKDGZEYCIBL-WMLDXEAASA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)CC2 ZINC000651231058 492725329 /nfs/dbraw/zinc/72/53/29/492725329.db2.gz NVJSKDGZEYCIBL-RHSMWYFYSA-N 2 1 359.474 0.695 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)CC2 ZINC000651231058 492725332 /nfs/dbraw/zinc/72/53/32/492725332.db2.gz NVJSKDGZEYCIBL-RHSMWYFYSA-N 2 1 359.474 0.695 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000636907293 492725411 /nfs/dbraw/zinc/72/54/11/492725411.db2.gz MZFDEWLGCCGCTP-SPYBWZPUSA-N 2 1 366.506 0.527 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644536576 492782889 /nfs/dbraw/zinc/78/28/89/492782889.db2.gz HVTSEXZDTYOSKB-RDJZCZTQSA-N 2 1 357.495 0.075 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644536576 492782892 /nfs/dbraw/zinc/78/28/92/492782892.db2.gz HVTSEXZDTYOSKB-RDJZCZTQSA-N 2 1 357.495 0.075 20 0 FCADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644607614 492791155 /nfs/dbraw/zinc/79/11/55/492791155.db2.gz UEPJVSFAQUQQBD-IAGOWNOFSA-N 2 1 355.504 0.350 20 0 FCADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644607614 492791158 /nfs/dbraw/zinc/79/11/58/492791158.db2.gz UEPJVSFAQUQQBD-IAGOWNOFSA-N 2 1 355.504 0.350 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@H]21 ZINC000657870156 492806294 /nfs/dbraw/zinc/80/62/94/492806294.db2.gz DXFWTCHAISJBSO-FUHWJXTLSA-N 2 1 371.485 0.673 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]21 ZINC000657870158 492806637 /nfs/dbraw/zinc/80/66/37/492806637.db2.gz DXFWTCHAISJBSO-WMZOPIPTSA-N 2 1 371.485 0.673 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631275469 492808508 /nfs/dbraw/zinc/80/85/08/492808508.db2.gz FGRYDGGCVRFUSY-MRXNPFEDSA-N 2 1 350.511 0.448 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375717 492814179 /nfs/dbraw/zinc/81/41/79/492814179.db2.gz QGDGQHDXHMEYGK-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375717 492814181 /nfs/dbraw/zinc/81/41/81/492814181.db2.gz QGDGQHDXHMEYGK-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375717 492814183 /nfs/dbraw/zinc/81/41/83/492814183.db2.gz QGDGQHDXHMEYGK-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000637375489 492814191 /nfs/dbraw/zinc/81/41/91/492814191.db2.gz UTOFHTMIZMNZPG-SJORKVTESA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000637375489 492814193 /nfs/dbraw/zinc/81/41/93/492814193.db2.gz UTOFHTMIZMNZPG-SJORKVTESA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000637375489 492814195 /nfs/dbraw/zinc/81/41/95/492814195.db2.gz UTOFHTMIZMNZPG-SJORKVTESA-N 2 1 365.522 0.747 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000637377199 492815636 /nfs/dbraw/zinc/81/56/36/492815636.db2.gz WBHMJJMGQFFTTC-CVEARBPZSA-N 2 1 351.495 0.596 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000637375992 492815746 /nfs/dbraw/zinc/81/57/46/492815746.db2.gz XFFCDZMKGNZNRH-KRWDZBQOSA-N 2 1 365.522 0.986 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000637376813 492816115 /nfs/dbraw/zinc/81/61/15/492816115.db2.gz VEFWJYNZXAAVHH-INIZCTEOSA-N 2 1 353.511 0.938 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376504 492816323 /nfs/dbraw/zinc/81/63/23/492816323.db2.gz LHGFHENPKVKKFK-INIZCTEOSA-N 2 1 353.511 0.842 20 0 FCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000658263067 492856734 /nfs/dbraw/zinc/85/67/34/492856734.db2.gz GOFYRQUSVCKXJQ-CYBMUJFWSA-N 2 1 350.467 0.372 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000645064496 492857220 /nfs/dbraw/zinc/85/72/20/492857220.db2.gz IZDKUHSRCFGOCN-HNNXBMFYSA-N 2 1 368.522 0.402 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846020 492860630 /nfs/dbraw/zinc/86/06/30/492860630.db2.gz QMECVGPMIGRUCW-ZBFHGGJFSA-N 2 1 356.430 0.798 20 0 FCADMP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000631846020 492860633 /nfs/dbraw/zinc/86/06/33/492860633.db2.gz QMECVGPMIGRUCW-ZBFHGGJFSA-N 2 1 356.430 0.798 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)nn1 ZINC000631846472 492861436 /nfs/dbraw/zinc/86/14/36/492861436.db2.gz CPEPPSMESLPARH-AAEUAGOBSA-N 2 1 360.384 0.785 20 0 FCADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)nn1 ZINC000631846472 492861439 /nfs/dbraw/zinc/86/14/39/492861439.db2.gz CPEPPSMESLPARH-AAEUAGOBSA-N 2 1 360.384 0.785 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000645146532 492873494 /nfs/dbraw/zinc/87/34/94/492873494.db2.gz XSUVKKMKUGSPGA-KRWDZBQOSA-N 2 1 368.522 0.849 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000631910305 492877047 /nfs/dbraw/zinc/87/70/47/492877047.db2.gz ZSKZFGJPZYOURH-UHFFFAOYSA-N 2 1 374.551 0.540 20 0 FCADMP C[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000631914915 492880232 /nfs/dbraw/zinc/88/02/32/492880232.db2.gz BIYQGLXLTAOGIP-OAHLLOKOSA-N 2 1 366.531 0.951 20 0 FCADMP C[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000631914915 492880238 /nfs/dbraw/zinc/88/02/38/492880238.db2.gz BIYQGLXLTAOGIP-OAHLLOKOSA-N 2 1 366.531 0.951 20 0 FCADMP C[C@H](CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[NH+](C)C ZINC000658426097 492884407 /nfs/dbraw/zinc/88/44/07/492884407.db2.gz VSDKMQLVCXMFOS-CYBMUJFWSA-N 2 1 363.462 0.582 20 0 FCADMP C[C@@H]1C[NH+](CCCCNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000631926854 492888186 /nfs/dbraw/zinc/88/81/86/492888186.db2.gz KBHDNKQQOMNZDL-HUUCEWRRSA-N 2 1 362.540 0.394 20 0 FCADMP [NH3+]CCC1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000652153297 492888352 /nfs/dbraw/zinc/88/83/52/492888352.db2.gz GGAAIWIBQMTERF-KRWDZBQOSA-N 2 1 353.511 0.163 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCC[N@H+]3CCCOCC3)C2)C1 ZINC000652195565 492894426 /nfs/dbraw/zinc/89/44/26/492894426.db2.gz YFEAGLCUPALTOP-ZACQAIPSSA-N 2 1 354.495 0.637 20 0 FCADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638064063 492898716 /nfs/dbraw/zinc/89/87/16/492898716.db2.gz RKJYYSQUKGSBEX-YLJYHZDGSA-N 2 1 374.485 0.457 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638101285 492905670 /nfs/dbraw/zinc/90/56/70/492905670.db2.gz PEPVLFXQLCSKFB-VXGBXAGGSA-N 2 1 354.405 0.964 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315737 492909356 /nfs/dbraw/zinc/90/93/56/492909356.db2.gz CDYGDQLSHFPEEJ-MRXNPFEDSA-N 2 1 351.495 0.324 20 0 FCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652347974 492913613 /nfs/dbraw/zinc/91/36/13/492913613.db2.gz QLNFPZIYAPBVBG-WNRNVDISSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352224 492914620 /nfs/dbraw/zinc/91/46/20/492914620.db2.gz VBSQWCIFLBQIIV-GJYPPUQNSA-N 2 1 358.490 0.575 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCN1CCCCCC1=O)C2 ZINC000652351751 492914709 /nfs/dbraw/zinc/91/47/09/492914709.db2.gz SJAHTBPJRCTVGV-LPHOPBHVSA-N 2 1 350.507 0.956 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)C2 ZINC000652351751 492914711 /nfs/dbraw/zinc/91/47/11/492914711.db2.gz SJAHTBPJRCTVGV-LPHOPBHVSA-N 2 1 350.507 0.956 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)c2cccs2)CC1 ZINC000638135566 492915100 /nfs/dbraw/zinc/91/51/00/492915100.db2.gz UAFYKYLZFINMSG-RHSMWYFYSA-N 2 1 352.504 0.531 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)CN2CC[NH2+]CC2)c2cccs2)CC1 ZINC000638136571 492915324 /nfs/dbraw/zinc/91/53/24/492915324.db2.gz ZXTDOCHNZXZCRF-OAHLLOKOSA-N 2 1 351.520 0.058 20 0 FCADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652360473 492915855 /nfs/dbraw/zinc/91/58/55/492915855.db2.gz IXKGODCUJAVFMO-ZACQAIPSSA-N 2 1 352.479 0.038 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632057420 492920430 /nfs/dbraw/zinc/92/04/30/492920430.db2.gz DBEYERKVPCRSKG-GOSISDBHSA-N 2 1 372.579 0.617 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCCC3)CC2)c1 ZINC000652411190 492925592 /nfs/dbraw/zinc/92/55/92/492925592.db2.gz MJZDZCNFAMTUSH-UHFFFAOYSA-N 2 1 373.501 0.983 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000638270081 492925619 /nfs/dbraw/zinc/92/56/19/492925619.db2.gz ACBOKAAXSDACJU-UHFFFAOYSA-N 2 1 361.490 0.038 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000658529697 492931033 /nfs/dbraw/zinc/93/10/33/492931033.db2.gz JLZXLXBBJQTZGW-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000658529697 492931037 /nfs/dbraw/zinc/93/10/37/492931037.db2.gz JLZXLXBBJQTZGW-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638348400 492938498 /nfs/dbraw/zinc/93/84/98/492938498.db2.gz JRPIVOMNCPBUIQ-JKSUJKDBSA-N 2 1 374.489 0.753 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632245119 492956841 /nfs/dbraw/zinc/95/68/41/492956841.db2.gz ULANBTJSXPGMJJ-SFHVURJKSA-N 2 1 369.531 0.837 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000638558731 492961125 /nfs/dbraw/zinc/96/11/25/492961125.db2.gz OJMXHSOXZIHZCI-ZIAGYGMSSA-N 2 1 350.429 1.000 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652675284 492985902 /nfs/dbraw/zinc/98/59/02/492985902.db2.gz SOZYAAZCZGELLB-GJZGRUSLSA-N 2 1 368.522 0.496 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925565 492987778 /nfs/dbraw/zinc/98/77/78/492987778.db2.gz ALJNZKLYFGYWDD-GOSISDBHSA-N 2 1 361.490 0.819 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925566 492987831 /nfs/dbraw/zinc/98/78/31/492987831.db2.gz ALJNZKLYFGYWDD-SFHVURJKSA-N 2 1 361.490 0.819 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639005883 492991385 /nfs/dbraw/zinc/99/13/85/492991385.db2.gz QMPDDWSOAYWHSU-MSOLQXFVSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639005884 492991509 /nfs/dbraw/zinc/99/15/09/492991509.db2.gz QMPDDWSOAYWHSU-QZTJIDSGSA-N 2 1 358.486 0.944 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652696118 492992540 /nfs/dbraw/zinc/99/25/40/492992540.db2.gz GKAHNZOGHGZUAT-KURKYZTESA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652696118 492992544 /nfs/dbraw/zinc/99/25/44/492992544.db2.gz GKAHNZOGHGZUAT-KURKYZTESA-N 2 1 358.486 0.758 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652698055 492993529 /nfs/dbraw/zinc/99/35/29/492993529.db2.gz UIQSLFCOEHIPKS-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652698055 492993532 /nfs/dbraw/zinc/99/35/32/492993532.db2.gz UIQSLFCOEHIPKS-ZWKOTPCHSA-N 2 1 358.486 0.488 20 0 FCADMP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000652707931 492996433 /nfs/dbraw/zinc/99/64/33/492996433.db2.gz IQNFKRJKMOAERX-IYBDPMFKSA-N 2 1 350.507 0.825 20 0 FCADMP CO[C@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000639169542 493000601 /nfs/dbraw/zinc/00/06/01/493000601.db2.gz LGVVWXGUTDQDNO-GOSISDBHSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646041584 493006891 /nfs/dbraw/zinc/00/68/91/493006891.db2.gz DEWMYLKZVSTAEF-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646041584 493006898 /nfs/dbraw/zinc/00/68/98/493006898.db2.gz DEWMYLKZVSTAEF-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)[N@H+]1C ZINC000652734766 493011325 /nfs/dbraw/zinc/01/13/25/493011325.db2.gz VHTDCFYIKYVOGZ-NNXHMXCWSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)[N@@H+]1C ZINC000652734766 493011329 /nfs/dbraw/zinc/01/13/29/493011329.db2.gz VHTDCFYIKYVOGZ-NNXHMXCWSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737114 493013112 /nfs/dbraw/zinc/01/31/12/493013112.db2.gz ZQWBJUWBKVEPPA-SZMVWBNQSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737114 493013115 /nfs/dbraw/zinc/01/31/15/493013115.db2.gz ZQWBJUWBKVEPPA-SZMVWBNQSA-N 2 1 358.486 0.567 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](C)CC1 ZINC000646107803 493013293 /nfs/dbraw/zinc/01/32/93/493013293.db2.gz BUTMWEJZDQTGIU-ROUUACIJSA-N 2 1 362.522 0.809 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683490 493031347 /nfs/dbraw/zinc/03/13/47/493031347.db2.gz ZYLDYYXHINHVSB-HZPDHXFCSA-N 2 1 359.474 0.706 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1=O ZINC000652883877 493032129 /nfs/dbraw/zinc/03/21/29/493032129.db2.gz XTFNRPQXDUIZNL-OALUTQOASA-N 2 1 372.513 0.782 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1=O ZINC000652883877 493032132 /nfs/dbraw/zinc/03/21/32/493032132.db2.gz XTFNRPQXDUIZNL-OALUTQOASA-N 2 1 372.513 0.782 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000626918340 493062800 /nfs/dbraw/zinc/06/28/00/493062800.db2.gz ZGNZZPSXHFUIRG-CHWSQXEVSA-N 2 1 352.401 0.877 20 0 FCADMP CN(CCOCC[NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000626941502 493068423 /nfs/dbraw/zinc/06/84/23/493068423.db2.gz ARBIKUZVYSSATB-UHFFFAOYSA-N 2 1 350.463 0.636 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653108244 493071379 /nfs/dbraw/zinc/07/13/79/493071379.db2.gz OVAZRZOXYLVCSW-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653108244 493071382 /nfs/dbraw/zinc/07/13/82/493071382.db2.gz OVAZRZOXYLVCSW-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC000653115518 493072845 /nfs/dbraw/zinc/07/28/45/493072845.db2.gz RHXMXVHPMOVBQN-GUXCAODWSA-N 2 1 372.469 0.558 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653117482 493073897 /nfs/dbraw/zinc/07/38/97/493073897.db2.gz MXQGZEXXTQAUQE-ROUUACIJSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000653117885 493074086 /nfs/dbraw/zinc/07/40/86/493074086.db2.gz YLBMQWYWVWGRAR-LJQANCHMSA-N 2 1 361.534 0.542 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123299 493075073 /nfs/dbraw/zinc/07/50/73/493075073.db2.gz UMJJMBMCVLDEBB-YJBOKZPZSA-N 2 1 364.490 0.673 20 0 FCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123299 493075080 /nfs/dbraw/zinc/07/50/80/493075080.db2.gz UMJJMBMCVLDEBB-YJBOKZPZSA-N 2 1 364.490 0.673 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653124878 493076613 /nfs/dbraw/zinc/07/66/13/493076613.db2.gz KARVMINUJISNOV-LJQANCHMSA-N 2 1 361.534 0.719 20 0 FCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627185917 493103596 /nfs/dbraw/zinc/10/35/96/493103596.db2.gz LSXWVSKHASRPEM-QGZVFWFLSA-N 2 1 361.490 0.438 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000627230530 493111603 /nfs/dbraw/zinc/11/16/03/493111603.db2.gz SQXIHAIENDOKDH-QGZVFWFLSA-N 2 1 361.494 0.972 20 0 FCADMP C[NH+](C)Cc1ccnc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000640564448 493117698 /nfs/dbraw/zinc/11/76/98/493117698.db2.gz GHBNMELYSOLRSI-INIZCTEOSA-N 2 1 374.489 0.914 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000627258983 493120301 /nfs/dbraw/zinc/12/03/01/493120301.db2.gz KHOVYLVIEOKUOO-BJLQDIEVSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258983 493120306 /nfs/dbraw/zinc/12/03/06/493120306.db2.gz KHOVYLVIEOKUOO-BJLQDIEVSA-N 2 1 359.470 0.291 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258983 493120308 /nfs/dbraw/zinc/12/03/08/493120308.db2.gz KHOVYLVIEOKUOO-BJLQDIEVSA-N 2 1 359.470 0.291 20 0 FCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)C1 ZINC000659038112 493128764 /nfs/dbraw/zinc/12/87/64/493128764.db2.gz KBYWMBVQIHVHJK-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)C1 ZINC000659038112 493128768 /nfs/dbraw/zinc/12/87/68/493128768.db2.gz KBYWMBVQIHVHJK-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)C1 ZINC000659038112 493128774 /nfs/dbraw/zinc/12/87/74/493128774.db2.gz KBYWMBVQIHVHJK-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000633106845 493128963 /nfs/dbraw/zinc/12/89/63/493128963.db2.gz XIHDRDYWAURHMU-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP COc1cccc(NC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640758092 493129316 /nfs/dbraw/zinc/12/93/16/493129316.db2.gz CXHMZRAXWDPYAB-UHFFFAOYSA-N 2 1 358.446 0.891 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633112031 493130516 /nfs/dbraw/zinc/13/05/16/493130516.db2.gz VSBIEMXGCBEAFQ-CEXWTWQISA-N 2 1 370.497 0.725 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000633117708 493133343 /nfs/dbraw/zinc/13/33/43/493133343.db2.gz FPQZIBCRMSTKAF-LAVFITLUSA-N 2 1 356.470 0.667 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)NCc3ccccc3F)nn2)CC1 ZINC000640867249 493139517 /nfs/dbraw/zinc/13/95/17/493139517.db2.gz PHFYYHKPEFITKG-UHFFFAOYSA-N 2 1 360.437 0.699 20 0 FCADMP C[NH2+][C@H](C)c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640868828 493140623 /nfs/dbraw/zinc/14/06/23/493140623.db2.gz JBDAWAHWFGRDOS-OAHLLOKOSA-N 2 1 364.494 0.710 20 0 FCADMP [NH3+]CCCc1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000640870470 493141570 /nfs/dbraw/zinc/14/15/70/493141570.db2.gz ZQKCUCFYJRSOEY-UHFFFAOYSA-N 2 1 364.494 0.321 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000627325677 493154480 /nfs/dbraw/zinc/15/44/80/493154480.db2.gz QWTWBTGLEJYTDU-AWEZNQCLSA-N 2 1 352.504 0.884 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627328760 493156156 /nfs/dbraw/zinc/15/61/56/493156156.db2.gz MSZBHXBCMOXLKO-IRXDYDNUSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627339115 493161328 /nfs/dbraw/zinc/16/13/28/493161328.db2.gz ZJPMOKCYBPTAND-KRWDZBQOSA-N 2 1 362.474 0.248 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000659130699 493162036 /nfs/dbraw/zinc/16/20/36/493162036.db2.gz LKXRPMNWGIBSGE-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627343030 493163185 /nfs/dbraw/zinc/16/31/85/493163185.db2.gz WWNKELNPVTVDMZ-KBAYOESNSA-N 2 1 374.485 0.118 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000627357621 493174878 /nfs/dbraw/zinc/17/48/78/493174878.db2.gz LCJXMQGDOPNWNB-ZWKOTPCHSA-N 2 1 374.485 0.044 20 0 FCADMP C[NH+]1CCN(Cc2cn(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000641229012 493185653 /nfs/dbraw/zinc/18/56/53/493185653.db2.gz FXCJZFBEEXSAIG-FQEVSTJZSA-N 2 1 370.501 0.663 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)o1 ZINC000647270609 493188143 /nfs/dbraw/zinc/18/81/43/493188143.db2.gz CRBPAMRQOQLBMO-UHFFFAOYSA-N 2 1 350.463 0.967 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659539571 493209613 /nfs/dbraw/zinc/20/96/13/493209613.db2.gz RKJRWKYOTHIMAD-QWHCGFSZSA-N 2 1 365.444 0.995 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659571510 493214944 /nfs/dbraw/zinc/21/49/44/493214944.db2.gz ZHEKXAWQKZJHTA-UHFFFAOYSA-N 2 1 353.511 0.844 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659571510 493214946 /nfs/dbraw/zinc/21/49/46/493214946.db2.gz ZHEKXAWQKZJHTA-UHFFFAOYSA-N 2 1 353.511 0.844 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630219 493224257 /nfs/dbraw/zinc/22/42/57/493224257.db2.gz GXOQQHRKBNGBQD-SWLSCSKDSA-N 2 1 360.462 0.799 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000672693171 493233497 /nfs/dbraw/zinc/23/34/97/493233497.db2.gz QQEPTWDDBGDUGY-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000672691594 493233702 /nfs/dbraw/zinc/23/37/02/493233702.db2.gz ZGJCGPGFQAZJGY-INIZCTEOSA-N 2 1 368.522 0.282 20 0 FCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000672691595 493233763 /nfs/dbraw/zinc/23/37/63/493233763.db2.gz ZGJCGPGFQAZJGY-MRXNPFEDSA-N 2 1 368.522 0.282 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666969831 493243369 /nfs/dbraw/zinc/24/33/69/493243369.db2.gz CKNGGRWFXHPWDI-QZTJIDSGSA-N 2 1 366.506 0.746 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666973241 493243396 /nfs/dbraw/zinc/24/33/96/493243396.db2.gz SEDWMNNMWZPKNF-QGZVFWFLSA-N 2 1 354.495 0.603 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672818594 493255674 /nfs/dbraw/zinc/25/56/74/493255674.db2.gz NZZHTFCACZHQBC-UHFFFAOYSA-N 2 1 356.511 0.585 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000659692065 493256124 /nfs/dbraw/zinc/25/61/24/493256124.db2.gz WSVGYTCHPBTGCQ-ZDUSSCGKSA-N 2 1 364.515 0.999 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+]1CCc2sccc2C1 ZINC000659692065 493256127 /nfs/dbraw/zinc/25/61/27/493256127.db2.gz WSVGYTCHPBTGCQ-ZDUSSCGKSA-N 2 1 364.515 0.999 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000681948498 493256524 /nfs/dbraw/zinc/25/65/24/493256524.db2.gz BBACHSJVRUEHPU-MRXNPFEDSA-N 2 1 369.554 0.499 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000659694686 493257800 /nfs/dbraw/zinc/25/78/00/493257800.db2.gz MDNVMEHRZHDVJE-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000659694686 493257802 /nfs/dbraw/zinc/25/78/02/493257802.db2.gz MDNVMEHRZHDVJE-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659695075 493258102 /nfs/dbraw/zinc/25/81/02/493258102.db2.gz RHTMYORUNGRGHF-HFTRVMKXSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000659697283 493258607 /nfs/dbraw/zinc/25/86/07/493258607.db2.gz SIJKVZKRQQRTIP-UAGQMJEPSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697283 493258609 /nfs/dbraw/zinc/25/86/09/493258609.db2.gz SIJKVZKRQQRTIP-UAGQMJEPSA-N 2 1 366.506 0.060 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659705941 493264300 /nfs/dbraw/zinc/26/43/00/493264300.db2.gz AATABYQLWQPMLW-SJORKVTESA-N 2 1 366.506 0.062 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659738643 493279617 /nfs/dbraw/zinc/27/96/17/493279617.db2.gz HIWJPFLJLDEZQT-GVDBMIGSSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000659738844 493279628 /nfs/dbraw/zinc/27/96/28/493279628.db2.gz IYHGEMYFOPXJLM-ULQDDVLXSA-N 2 1 366.506 0.332 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659737956 493279758 /nfs/dbraw/zinc/27/97/58/493279758.db2.gz WRIBONMBNNXAQW-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659738645 493279920 /nfs/dbraw/zinc/27/99/20/493279920.db2.gz HIWJPFLJLDEZQT-YESZJQIVSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000659739378 493280447 /nfs/dbraw/zinc/28/04/47/493280447.db2.gz RZCHIBBBNIQBHZ-YESZJQIVSA-N 2 1 362.449 0.679 20 0 FCADMP CCC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)S(N)(=O)=O ZINC000667812304 493303345 /nfs/dbraw/zinc/30/33/45/493303345.db2.gz JFJWZLMGCQEAGE-CABCVRRESA-N 2 1 362.540 0.318 20 0 FCADMP CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000667513201 493288290 /nfs/dbraw/zinc/28/82/90/493288290.db2.gz FUXOSECLIVBNQS-UHFFFAOYSA-N 2 1 374.485 0.840 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000673270151 493309630 /nfs/dbraw/zinc/30/96/30/493309630.db2.gz KXMHFQVODUCBGT-HOTGVXAUSA-N 2 1 356.511 0.447 20 0 FCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000673270151 493309633 /nfs/dbraw/zinc/30/96/33/493309633.db2.gz KXMHFQVODUCBGT-HOTGVXAUSA-N 2 1 356.511 0.447 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673275287 493309687 /nfs/dbraw/zinc/30/96/87/493309687.db2.gz DIYNOVVOFXMAJV-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673275287 493309690 /nfs/dbraw/zinc/30/96/90/493309690.db2.gz DIYNOVVOFXMAJV-CABCVRRESA-N 2 1 354.495 0.060 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337275 493318764 /nfs/dbraw/zinc/31/87/64/493318764.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337275 493318765 /nfs/dbraw/zinc/31/87/65/493318765.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337275 493318766 /nfs/dbraw/zinc/31/87/66/493318766.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673337275 493318767 /nfs/dbraw/zinc/31/87/67/493318767.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673337275 493318768 /nfs/dbraw/zinc/31/87/68/493318768.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000668547671 493374284 /nfs/dbraw/zinc/37/42/84/493374284.db2.gz AHQXNTUXFNFLID-IEBWSBKVSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000668547671 493374287 /nfs/dbraw/zinc/37/42/87/493374287.db2.gz AHQXNTUXFNFLID-IEBWSBKVSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668547671 493374290 /nfs/dbraw/zinc/37/42/90/493374290.db2.gz AHQXNTUXFNFLID-IEBWSBKVSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668547671 493374293 /nfs/dbraw/zinc/37/42/93/493374293.db2.gz AHQXNTUXFNFLID-IEBWSBKVSA-N 2 1 370.497 0.978 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000668643570 493389491 /nfs/dbraw/zinc/38/94/91/493389491.db2.gz KEOFPACDOHCAGQ-OAHLLOKOSA-N 2 1 364.515 0.823 20 0 FCADMP COC1CC[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000674324413 493407787 /nfs/dbraw/zinc/40/77/87/493407787.db2.gz DACXXBVEXXQCQS-FQEVSTJZSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000668827113 493417088 /nfs/dbraw/zinc/41/70/88/493417088.db2.gz QJTLZMWKIKRVBX-MOPGFXCFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000668827113 493417092 /nfs/dbraw/zinc/41/70/92/493417092.db2.gz QJTLZMWKIKRVBX-MOPGFXCFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668827113 493417095 /nfs/dbraw/zinc/41/70/95/493417095.db2.gz QJTLZMWKIKRVBX-MOPGFXCFSA-N 2 1 370.497 0.978 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000668827113 493417099 /nfs/dbraw/zinc/41/70/99/493417099.db2.gz QJTLZMWKIKRVBX-MOPGFXCFSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000668893141 493430168 /nfs/dbraw/zinc/43/01/68/493430168.db2.gz MXUWFYXJAVRRCG-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000674630469 493434897 /nfs/dbraw/zinc/43/48/97/493434897.db2.gz FEENWTHHQDRYIR-BBWFWOEESA-N 2 1 365.522 0.842 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000674630469 493434899 /nfs/dbraw/zinc/43/48/99/493434899.db2.gz FEENWTHHQDRYIR-BBWFWOEESA-N 2 1 365.522 0.842 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000674630469 493434902 /nfs/dbraw/zinc/43/49/02/493434902.db2.gz FEENWTHHQDRYIR-BBWFWOEESA-N 2 1 365.522 0.842 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000674630470 493434977 /nfs/dbraw/zinc/43/49/77/493434977.db2.gz FEENWTHHQDRYIR-ZACQAIPSSA-N 2 1 365.522 0.842 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674630470 493434979 /nfs/dbraw/zinc/43/49/79/493434979.db2.gz FEENWTHHQDRYIR-ZACQAIPSSA-N 2 1 365.522 0.842 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674630470 493434980 /nfs/dbraw/zinc/43/49/80/493434980.db2.gz FEENWTHHQDRYIR-ZACQAIPSSA-N 2 1 365.522 0.842 20 0 FCADMP Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668931224 493439423 /nfs/dbraw/zinc/43/94/23/493439423.db2.gz YEPXQLMQOFIYKO-PMPSAXMXSA-N 2 1 362.478 0.262 20 0 FCADMP Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668931224 493439426 /nfs/dbraw/zinc/43/94/26/493439426.db2.gz YEPXQLMQOFIYKO-PMPSAXMXSA-N 2 1 362.478 0.262 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000661662972 493456390 /nfs/dbraw/zinc/45/63/90/493456390.db2.gz JFXBBXAHCYZTOT-APWZRJJASA-N 2 1 350.507 0.920 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669063150 493459805 /nfs/dbraw/zinc/45/98/05/493459805.db2.gz QQLKMWQHWZSQOD-MRXNPFEDSA-N 2 1 361.494 0.430 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000669063161 493460078 /nfs/dbraw/zinc/46/00/78/493460078.db2.gz UDWGYQCKWNMQHV-MRXNPFEDSA-N 2 1 361.494 0.430 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806866 493466168 /nfs/dbraw/zinc/46/61/68/493466168.db2.gz IGFNXIWUAXRBIO-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806866 493466169 /nfs/dbraw/zinc/46/61/69/493466169.db2.gz IGFNXIWUAXRBIO-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806866 493466170 /nfs/dbraw/zinc/46/61/70/493466170.db2.gz IGFNXIWUAXRBIO-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(=O)N(C)CC1 ZINC000661806866 493466171 /nfs/dbraw/zinc/46/61/71/493466171.db2.gz IGFNXIWUAXRBIO-WMZOPIPTSA-N 2 1 358.486 0.930 20 0 FCADMP COCCC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000685331292 493476297 /nfs/dbraw/zinc/47/62/97/493476297.db2.gz JJPQBAKZTUOEIO-UHFFFAOYSA-N 2 1 368.522 0.404 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685336571 493477110 /nfs/dbraw/zinc/47/71/10/493477110.db2.gz GRUNROQJYMQCSI-DLBZAZTESA-N 2 1 370.538 0.648 20 0 FCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685336571 493477112 /nfs/dbraw/zinc/47/71/12/493477112.db2.gz GRUNROQJYMQCSI-DLBZAZTESA-N 2 1 370.538 0.648 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340838 493480769 /nfs/dbraw/zinc/48/07/69/493480769.db2.gz GXWXXWYZOOWXGO-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340838 493480770 /nfs/dbraw/zinc/48/07/70/493480770.db2.gz GXWXXWYZOOWXGO-HOTGVXAUSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344605 493482644 /nfs/dbraw/zinc/48/26/44/493482644.db2.gz ZDCZIVMBOWKQOR-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344605 493482646 /nfs/dbraw/zinc/48/26/46/493482646.db2.gz ZDCZIVMBOWKQOR-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444266 493492211 /nfs/dbraw/zinc/49/22/11/493492211.db2.gz KDMHUYMUUMNHNM-HNNXBMFYSA-N 2 1 357.458 0.497 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444267 493492358 /nfs/dbraw/zinc/49/23/58/493492358.db2.gz KDMHUYMUUMNHNM-OAHLLOKOSA-N 2 1 357.458 0.497 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262512 493501253 /nfs/dbraw/zinc/50/12/53/493501253.db2.gz VWHBHAZZALTTST-DOTOQJQBSA-N 2 1 350.507 0.572 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669430851 493503690 /nfs/dbraw/zinc/50/36/90/493503690.db2.gz HGEKROBFROSYSQ-PKOBYXMFSA-N 2 1 372.517 0.987 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000669486463 493506636 /nfs/dbraw/zinc/50/66/36/493506636.db2.gz LUMLJVKPHXRYTM-MRXNPFEDSA-N 2 1 353.511 0.354 20 0 FCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491440 493507671 /nfs/dbraw/zinc/50/76/71/493507671.db2.gz ZDKBKDBBOHKIIQ-ZIAGYGMSSA-N 2 1 363.428 0.606 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491438 493507727 /nfs/dbraw/zinc/50/77/27/493507727.db2.gz ZDKBKDBBOHKIIQ-KGLIPLIRSA-N 2 1 363.428 0.606 20 0 FCADMP Cn1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1=O ZINC000662337950 493507889 /nfs/dbraw/zinc/50/78/89/493507889.db2.gz OECTWSJQTWMPEP-INIZCTEOSA-N 2 1 356.474 0.898 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662350474 493508655 /nfs/dbraw/zinc/50/86/55/493508655.db2.gz BVXWUJZTSYKKGM-HNNXBMFYSA-N 2 1 350.467 0.289 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662462535 493517801 /nfs/dbraw/zinc/51/78/01/493517801.db2.gz KHQRPCAHDILWRJ-OAHLLOKOSA-N 2 1 364.515 0.530 20 0 FCADMP [NH3+][C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662517146 493523199 /nfs/dbraw/zinc/52/31/99/493523199.db2.gz RTIANJFVYKZPDM-IUODEOHRSA-N 2 1 367.291 0.955 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662659324 493530096 /nfs/dbraw/zinc/53/00/96/493530096.db2.gz SBKFJMHMMNBDCB-MSOLQXFVSA-N 2 1 358.486 0.630 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662668653 493530621 /nfs/dbraw/zinc/53/06/21/493530621.db2.gz OOZVKUFXIATVOC-CVEARBPZSA-N 2 1 364.494 0.679 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662693062 493531971 /nfs/dbraw/zinc/53/19/71/493531971.db2.gz SGBXKSKMIHSOOX-SJORKVTESA-N 2 1 360.458 0.305 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662704333 493533002 /nfs/dbraw/zinc/53/30/02/493533002.db2.gz BKWRZKUBIZVXGZ-FVQBIDKESA-N 2 1 359.474 0.860 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712092 493533857 /nfs/dbraw/zinc/53/38/57/493533857.db2.gz PXJZREPUYLUPND-IUODEOHRSA-N 2 1 364.412 0.587 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)oc1C ZINC000662729904 493535372 /nfs/dbraw/zinc/53/53/72/493535372.db2.gz PIJAUGBCIIRYRN-HZPDHXFCSA-N 2 1 350.463 0.983 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662754743 493538760 /nfs/dbraw/zinc/53/87/60/493538760.db2.gz UWSUJPNLYWWUAR-AWEZNQCLSA-N 2 1 355.280 0.813 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758769 493540098 /nfs/dbraw/zinc/54/00/98/493540098.db2.gz STNOOUOERUUURG-DZGCQCFKSA-N 2 1 350.429 0.918 20 0 FCADMP [NH3+][C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1F ZINC000662771856 493540647 /nfs/dbraw/zinc/54/06/47/493540647.db2.gz BTXMKWOCXQRNJY-STQMWFEESA-N 2 1 366.334 0.917 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662817265 493544862 /nfs/dbraw/zinc/54/48/62/493544862.db2.gz UFTLFIDNWQMGDH-YJBOKZPZSA-N 2 1 361.490 0.947 20 0 FCADMP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901691 493550557 /nfs/dbraw/zinc/55/05/57/493550557.db2.gz YIHNCLWPEOVFBL-CQSZACIVSA-N 2 1 351.520 0.885 20 0 FCADMP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901691 493550558 /nfs/dbraw/zinc/55/05/58/493550558.db2.gz YIHNCLWPEOVFBL-CQSZACIVSA-N 2 1 351.520 0.885 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)[C@@H]2C1 ZINC000662944606 493558469 /nfs/dbraw/zinc/55/84/69/493558469.db2.gz NXTJHVIDKKERLI-KZNAEPCWSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000670432810 493566350 /nfs/dbraw/zinc/56/63/50/493566350.db2.gz FEXCBWWRXBXTDV-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCN(c2nc(NC)nc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000677152686 493587297 /nfs/dbraw/zinc/58/72/97/493587297.db2.gz ITKOPZUUNGSACL-GJZGRUSLSA-N 2 1 362.526 0.396 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000663479380 493591733 /nfs/dbraw/zinc/59/17/33/493591733.db2.gz HKSGTSAMLCRICK-MRXNPFEDSA-N 2 1 371.526 0.005 20 0 FCADMP O=C(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCNC(=O)C1 ZINC000677237334 493592835 /nfs/dbraw/zinc/59/28/35/493592835.db2.gz QGROHPCIBFFBNL-MSOLQXFVSA-N 2 1 356.470 0.975 20 0 FCADMP O=C(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)N1CCNC(=O)C1 ZINC000677237334 493592836 /nfs/dbraw/zinc/59/28/36/493592836.db2.gz QGROHPCIBFFBNL-MSOLQXFVSA-N 2 1 356.470 0.975 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552747 493597121 /nfs/dbraw/zinc/59/71/21/493597121.db2.gz HGXSBCARKQKRMV-MSOLQXFVSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663552747 493597124 /nfs/dbraw/zinc/59/71/24/493597124.db2.gz HGXSBCARKQKRMV-MSOLQXFVSA-N 2 1 368.522 0.584 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663581074 493601427 /nfs/dbraw/zinc/60/14/27/493601427.db2.gz ZVEACBNNGJUFOG-GOSISDBHSA-N 2 1 367.538 0.565 20 0 FCADMP COCC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663825589 493619552 /nfs/dbraw/zinc/61/95/52/493619552.db2.gz LPOKMLQADAZLHR-QGZVFWFLSA-N 2 1 354.495 0.338 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000670988800 493620909 /nfs/dbraw/zinc/62/09/09/493620909.db2.gz YZAVMGOQGMRGNT-WBVHZDCISA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000670988800 493620910 /nfs/dbraw/zinc/62/09/10/493620910.db2.gz YZAVMGOQGMRGNT-WBVHZDCISA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670988800 493620913 /nfs/dbraw/zinc/62/09/13/493620913.db2.gz YZAVMGOQGMRGNT-WBVHZDCISA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670988800 493620915 /nfs/dbraw/zinc/62/09/15/493620915.db2.gz YZAVMGOQGMRGNT-WBVHZDCISA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000671032644 493624815 /nfs/dbraw/zinc/62/48/15/493624815.db2.gz BWUKUFIJLLTDSW-INIZCTEOSA-N 2 1 370.563 0.922 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000671032644 493624819 /nfs/dbraw/zinc/62/48/19/493624819.db2.gz BWUKUFIJLLTDSW-INIZCTEOSA-N 2 1 370.563 0.922 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671031727 493624853 /nfs/dbraw/zinc/62/48/53/493624853.db2.gz XHFZYYNTJYXNGB-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671031727 493624856 /nfs/dbraw/zinc/62/48/56/493624856.db2.gz XHFZYYNTJYXNGB-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677941432 493625841 /nfs/dbraw/zinc/62/58/41/493625841.db2.gz FWHPNWIIMYNAIO-FHWLQOOXSA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677941432 493625844 /nfs/dbraw/zinc/62/58/44/493625844.db2.gz FWHPNWIIMYNAIO-FHWLQOOXSA-N 2 1 358.486 0.128 20 0 FCADMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677941432 493625845 /nfs/dbraw/zinc/62/58/45/493625845.db2.gz FWHPNWIIMYNAIO-FHWLQOOXSA-N 2 1 358.486 0.128 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000671103344 493634408 /nfs/dbraw/zinc/63/44/08/493634408.db2.gz FUNXSLFYZZBUFD-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000671103346 493634455 /nfs/dbraw/zinc/63/44/55/493634455.db2.gz FUNXSLFYZZBUFD-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000671105916 493634681 /nfs/dbraw/zinc/63/46/81/493634681.db2.gz OTNVBNDSQCECTF-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000671105916 493634684 /nfs/dbraw/zinc/63/46/84/493634684.db2.gz OTNVBNDSQCECTF-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000671105916 493634687 /nfs/dbraw/zinc/63/46/87/493634687.db2.gz OTNVBNDSQCECTF-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000671105623 493635269 /nfs/dbraw/zinc/63/52/69/493635269.db2.gz SMTFOVNYNZWMGF-JKSUJKDBSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671370791 493661439 /nfs/dbraw/zinc/66/14/39/493661439.db2.gz QWVQSAMBLCUKBF-JEWRLFTDSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671370791 493661441 /nfs/dbraw/zinc/66/14/41/493661441.db2.gz QWVQSAMBLCUKBF-JEWRLFTDSA-N 2 1 368.522 0.448 20 0 FCADMP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679635956 493690122 /nfs/dbraw/zinc/69/01/22/493690122.db2.gz JGAYRYPIRNAZGH-AWEZNQCLSA-N 2 1 358.446 0.675 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000665111546 493700781 /nfs/dbraw/zinc/70/07/81/493700781.db2.gz DELXPBSUHWZYAE-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000665111546 493700782 /nfs/dbraw/zinc/70/07/82/493700782.db2.gz DELXPBSUHWZYAE-MRXNPFEDSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873438 493709903 /nfs/dbraw/zinc/70/99/03/493709903.db2.gz FANNSMCSXJZRAE-PMPSAXMXSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000671873438 493709905 /nfs/dbraw/zinc/70/99/05/493709905.db2.gz FANNSMCSXJZRAE-PMPSAXMXSA-N 2 1 354.495 0.058 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671941584 493716653 /nfs/dbraw/zinc/71/66/53/493716653.db2.gz GCSBXWYUNBEIQD-ZBFHGGJFSA-N 2 1 354.495 0.202 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671941584 493716655 /nfs/dbraw/zinc/71/66/55/493716655.db2.gz GCSBXWYUNBEIQD-ZBFHGGJFSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680507983 493720646 /nfs/dbraw/zinc/72/06/46/493720646.db2.gz DUVRYLQFPPJMLG-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680507983 493720648 /nfs/dbraw/zinc/72/06/48/493720648.db2.gz DUVRYLQFPPJMLG-QGZVFWFLSA-N 2 1 369.554 0.813 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000672012959 493725098 /nfs/dbraw/zinc/72/50/98/493725098.db2.gz DXLPKMWOQUWYIK-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000672308321 493753262 /nfs/dbraw/zinc/75/32/62/493753262.db2.gz INIXJOYTGIZFAX-QGZVFWFLSA-N 2 1 371.485 0.639 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000672308321 493753264 /nfs/dbraw/zinc/75/32/64/493753264.db2.gz INIXJOYTGIZFAX-QGZVFWFLSA-N 2 1 371.485 0.639 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672312174 493755010 /nfs/dbraw/zinc/75/50/10/493755010.db2.gz XUOIBUZXBGAHGG-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672312174 493755012 /nfs/dbraw/zinc/75/50/12/493755012.db2.gz XUOIBUZXBGAHGG-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)(C)[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672312174 493755014 /nfs/dbraw/zinc/75/50/14/493755014.db2.gz XUOIBUZXBGAHGG-MRXNPFEDSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666151211 493760424 /nfs/dbraw/zinc/76/04/24/493760424.db2.gz GEBIBAHDSWEXJJ-UHFFFAOYSA-N 2 1 363.506 0.907 20 0 FCADMP C[C@@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000413253306 533950243 /nfs/dbraw/zinc/95/02/43/533950243.db2.gz UPKJXQOPOGVIRN-INIZCTEOSA-N 2 1 367.538 0.565 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000410845125 527803930 /nfs/dbraw/zinc/80/39/30/527803930.db2.gz QELCWRPUKCFGHL-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000410845125 527803933 /nfs/dbraw/zinc/80/39/33/527803933.db2.gz QELCWRPUKCFGHL-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000410845125 527803938 /nfs/dbraw/zinc/80/39/38/527803938.db2.gz QELCWRPUKCFGHL-YESZJQIVSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000410845121 527804098 /nfs/dbraw/zinc/80/40/98/527804098.db2.gz QELCWRPUKCFGHL-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000410845121 527804102 /nfs/dbraw/zinc/80/41/02/527804102.db2.gz QELCWRPUKCFGHL-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000410845121 527804107 /nfs/dbraw/zinc/80/41/07/527804107.db2.gz QELCWRPUKCFGHL-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H]1C ZINC000410700046 527923306 /nfs/dbraw/zinc/92/33/06/527923306.db2.gz IVYNAQTVVVZQFK-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C[C@H]1C ZINC000410700046 527923310 /nfs/dbraw/zinc/92/33/10/527923310.db2.gz IVYNAQTVVVZQFK-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H]1C ZINC000410700046 527923313 /nfs/dbraw/zinc/92/33/13/527923313.db2.gz IVYNAQTVVVZQFK-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C[C@H]1C ZINC000410700046 527923316 /nfs/dbraw/zinc/92/33/16/527923316.db2.gz IVYNAQTVVVZQFK-HZPDHXFCSA-N 2 1 368.522 0.233 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000410913119 528064938 /nfs/dbraw/zinc/06/49/38/528064938.db2.gz VZOFQVIWHVNNNZ-UHFFFAOYSA-N 2 1 368.522 0.500 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410807093 528434214 /nfs/dbraw/zinc/43/42/14/528434214.db2.gz HKFAIKSLLDITSY-QGZVFWFLSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410696613 528739389 /nfs/dbraw/zinc/73/93/89/528739389.db2.gz IANRBOQJDTZIST-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410696613 528739391 /nfs/dbraw/zinc/73/93/91/528739391.db2.gz IANRBOQJDTZIST-IRXDYDNUSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410884797 528891474 /nfs/dbraw/zinc/89/14/74/528891474.db2.gz KKWCGPLIXYJJJJ-HNNXBMFYSA-N 2 1 356.511 0.089 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410884797 528891481 /nfs/dbraw/zinc/89/14/81/528891481.db2.gz KKWCGPLIXYJJJJ-HNNXBMFYSA-N 2 1 356.511 0.089 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000410871614 529029776 /nfs/dbraw/zinc/02/97/76/529029776.db2.gz LJVYUNQIPYPGRC-UHFFFAOYSA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000411030770 529074419 /nfs/dbraw/zinc/07/44/19/529074419.db2.gz RUGXUDYUTJUGOW-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000411030770 529074424 /nfs/dbraw/zinc/07/44/24/529074424.db2.gz RUGXUDYUTJUGOW-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000411030770 529074425 /nfs/dbraw/zinc/07/44/25/529074425.db2.gz RUGXUDYUTJUGOW-IXDOHACOSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000425638640 534996524 /nfs/dbraw/zinc/99/65/24/534996524.db2.gz LICCDKMXINZROM-OKZBNKHCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000425638640 534996531 /nfs/dbraw/zinc/99/65/31/534996531.db2.gz LICCDKMXINZROM-OKZBNKHCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000425638640 534996538 /nfs/dbraw/zinc/99/65/38/534996538.db2.gz LICCDKMXINZROM-OKZBNKHCSA-N 2 1 351.539 0.994 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419692522 535071063 /nfs/dbraw/zinc/07/10/63/535071063.db2.gz GZRBATIZOLCJSK-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419386489 535080580 /nfs/dbraw/zinc/08/05/80/535080580.db2.gz DLDVVCPACTZQMY-QGZVFWFLSA-N 2 1 358.486 0.889 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419158190 535082796 /nfs/dbraw/zinc/08/27/96/535082796.db2.gz WFGQHEMCWRTUJL-VQIMIIECSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419949818 535305270 /nfs/dbraw/zinc/30/52/70/535305270.db2.gz HTBRJWBABVQNLY-QBPKDAKJSA-N 2 1 368.522 0.576 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423522816 535426265 /nfs/dbraw/zinc/42/62/65/535426265.db2.gz HQBKRVBBXVPWGR-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@H+]1CCOC ZINC000423522816 535426269 /nfs/dbraw/zinc/42/62/69/535426269.db2.gz HQBKRVBBXVPWGR-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000423714975 535438830 /nfs/dbraw/zinc/43/88/30/535438830.db2.gz GWMDWIKCTRBTAJ-DLBZAZTESA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419238666 535463746 /nfs/dbraw/zinc/46/37/46/535463746.db2.gz DJMPVWHFDXHFHT-VQFNDLOPSA-N 2 1 360.502 0.985 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423658407 535732616 /nfs/dbraw/zinc/73/26/16/535732616.db2.gz FXMDWTRFXIGYQN-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000423658407 535732622 /nfs/dbraw/zinc/73/26/22/535732622.db2.gz FXMDWTRFXIGYQN-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000423529318 535733761 /nfs/dbraw/zinc/73/37/61/535733761.db2.gz PPOSVSCPUNAOHS-DLBZAZTESA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000423529318 535733764 /nfs/dbraw/zinc/73/37/64/535733764.db2.gz PPOSVSCPUNAOHS-DLBZAZTESA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1CCOC ZINC000423523288 535733962 /nfs/dbraw/zinc/73/39/62/535733962.db2.gz IEFDEAOKSBZQJA-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1CCOC ZINC000423523288 535733967 /nfs/dbraw/zinc/73/39/67/535733967.db2.gz IEFDEAOKSBZQJA-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423487831 535771299 /nfs/dbraw/zinc/77/12/99/535771299.db2.gz XUQGIHHVQSRZJL-GOSISDBHSA-N 2 1 358.486 0.789 20 0 FCADMP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000419227984 535946503 /nfs/dbraw/zinc/94/65/03/535946503.db2.gz LOBWMLKTTAMUEI-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423711247 535973099 /nfs/dbraw/zinc/97/30/99/535973099.db2.gz MASKKULQVDXDSA-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)ccc1Cl ZINC000439755207 535992099 /nfs/dbraw/zinc/99/20/99/535992099.db2.gz IDMNGDVHRYBDCF-CYBMUJFWSA-N 2 1 356.854 0.379 20 0 FCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443078385 536116716 /nfs/dbraw/zinc/11/67/16/536116716.db2.gz WXSQXSUIXIZFOD-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618705 536307264 /nfs/dbraw/zinc/30/72/64/536307264.db2.gz ZTXHBMZWASYMGZ-AWEZNQCLSA-N 2 1 354.476 0.737 20 0 FCADMP CNC(=O)NC(=O)CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435694998 536319493 /nfs/dbraw/zinc/31/94/93/536319493.db2.gz MYCIGDBNQDRCAY-LBPRGKRZSA-N 2 1 351.476 0.933 20 0 FCADMP CNC(=O)NC(=O)CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435694998 536319495 /nfs/dbraw/zinc/31/94/95/536319495.db2.gz MYCIGDBNQDRCAY-LBPRGKRZSA-N 2 1 351.476 0.933 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)C1 ZINC000423448913 536366578 /nfs/dbraw/zinc/36/65/78/536366578.db2.gz QTMYALVBMPPOGI-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000423613920 536367777 /nfs/dbraw/zinc/36/77/77/536367777.db2.gz RXEYAZUYOHHBEX-NQIIRXRSSA-N 2 1 370.497 0.931 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419398676 536368193 /nfs/dbraw/zinc/36/81/93/536368193.db2.gz XNPHULRPGHHCCR-QGZVFWFLSA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000419231271 536368338 /nfs/dbraw/zinc/36/83/38/536368338.db2.gz JORYPPMZQKMXSX-TZMCWYRMSA-N 2 1 350.488 0.431 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000419231271 536368340 /nfs/dbraw/zinc/36/83/40/536368340.db2.gz JORYPPMZQKMXSX-TZMCWYRMSA-N 2 1 350.488 0.431 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419229500 536449652 /nfs/dbraw/zinc/44/96/52/536449652.db2.gz HOPZOKXAJMXGTJ-CHWSQXEVSA-N 2 1 352.504 0.583 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419229500 536449655 /nfs/dbraw/zinc/44/96/55/536449655.db2.gz HOPZOKXAJMXGTJ-CHWSQXEVSA-N 2 1 352.504 0.583 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419826049 536450168 /nfs/dbraw/zinc/45/01/68/536450168.db2.gz SDKMEIBLMPNSOO-HUUCEWRRSA-N 2 1 350.463 0.895 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@H](C)C1 ZINC000423862130 536453548 /nfs/dbraw/zinc/45/35/48/536453548.db2.gz RQFZBMRIGBSZBZ-GDBMZVCRSA-N 2 1 363.462 0.517 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@H](C)C1 ZINC000423862130 536453552 /nfs/dbraw/zinc/45/35/52/536453552.db2.gz RQFZBMRIGBSZBZ-GDBMZVCRSA-N 2 1 363.462 0.517 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415172645 536470327 /nfs/dbraw/zinc/47/03/27/536470327.db2.gz SYBRPLLJTZCICW-WMLDXEAASA-N 2 1 360.458 0.905 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419759174 536481733 /nfs/dbraw/zinc/48/17/33/536481733.db2.gz GIJUYNCIVBPYHW-HNNXBMFYSA-N 2 1 368.428 0.723 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419759174 536481736 /nfs/dbraw/zinc/48/17/36/536481736.db2.gz GIJUYNCIVBPYHW-HNNXBMFYSA-N 2 1 368.428 0.723 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC000593736266 546747712 /nfs/dbraw/zinc/74/77/12/546747712.db2.gz KWUFSMJDZJFEBM-FMKPAKJESA-N 2 1 352.479 0.973 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159299 546909724 /nfs/dbraw/zinc/90/97/24/546909724.db2.gz ZEKQHBTTYRBYMJ-ZIAGYGMSSA-N 2 1 360.449 0.810 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420159299 546909725 /nfs/dbraw/zinc/90/97/25/546909725.db2.gz ZEKQHBTTYRBYMJ-ZIAGYGMSSA-N 2 1 360.449 0.810 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000545176125 547030846 /nfs/dbraw/zinc/03/08/46/547030846.db2.gz JOHXOHKSCSSJCE-SFHVURJKSA-N 2 1 354.495 0.387 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549940992 547075574 /nfs/dbraw/zinc/07/55/74/547075574.db2.gz RFRLFXVNHYAUCX-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550032458 547077332 /nfs/dbraw/zinc/07/73/32/547077332.db2.gz MNRAYQGRXNJGQW-INIZCTEOSA-N 2 1 354.495 0.060 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000550146620 547079886 /nfs/dbraw/zinc/07/98/86/547079886.db2.gz DKUSUCNUUBCERM-INIZCTEOSA-N 2 1 354.495 0.204 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550455948 547086707 /nfs/dbraw/zinc/08/67/07/547086707.db2.gz FBGKGCWCTVOTFR-MRXNPFEDSA-N 2 1 356.511 0.260 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000551039522 547120969 /nfs/dbraw/zinc/12/09/69/547120969.db2.gz KLDRPGZZOOYLOX-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000551138543 547128544 /nfs/dbraw/zinc/12/85/44/547128544.db2.gz ZPGOJCHZFOKBPI-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000551138543 547128547 /nfs/dbraw/zinc/12/85/47/547128547.db2.gz ZPGOJCHZFOKBPI-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000551138543 547128550 /nfs/dbraw/zinc/12/85/50/547128550.db2.gz ZPGOJCHZFOKBPI-IXDOHACOSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216692 547135727 /nfs/dbraw/zinc/13/57/27/547135727.db2.gz ABTLKDJSVHEUOO-KDOFPFPSSA-N 2 1 368.547 0.673 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000552538602 547215619 /nfs/dbraw/zinc/21/56/19/547215619.db2.gz HGZLTBDBYNWYAP-OAHLLOKOSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704536 547226075 /nfs/dbraw/zinc/22/60/75/547226075.db2.gz LTMHLBUGUXKZKT-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000552704536 547226079 /nfs/dbraw/zinc/22/60/79/547226079.db2.gz LTMHLBUGUXKZKT-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000552704536 547226083 /nfs/dbraw/zinc/22/60/83/547226083.db2.gz LTMHLBUGUXKZKT-CVEARBPZSA-N 2 1 354.495 0.060 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552747632 547229324 /nfs/dbraw/zinc/22/93/24/547229324.db2.gz QZOBCYVGRDOJRP-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552747632 547229329 /nfs/dbraw/zinc/22/93/29/547229329.db2.gz QZOBCYVGRDOJRP-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000552750085 547230380 /nfs/dbraw/zinc/23/03/80/547230380.db2.gz FQDWXQVJBHIYKF-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000552750085 547230385 /nfs/dbraw/zinc/23/03/85/547230385.db2.gz FQDWXQVJBHIYKF-OAHLLOKOSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000553271144 547265192 /nfs/dbraw/zinc/26/51/92/547265192.db2.gz GLJSITBJQFMMCT-MRXNPFEDSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC000950243967 674422990 /nfs/dbraw/zinc/42/29/90/674422990.db2.gz QULNDWMYFTWLAJ-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736269373 598518411 /nfs/dbraw/zinc/51/84/11/598518411.db2.gz WLADPYAXXBAOCA-UONOGXRCSA-N 2 1 359.482 0.959 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000953978436 674487470 /nfs/dbraw/zinc/48/74/70/674487470.db2.gz RZUHKMWRLYRDEC-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000953978436 674487471 /nfs/dbraw/zinc/48/74/71/674487471.db2.gz RZUHKMWRLYRDEC-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000953978436 674487473 /nfs/dbraw/zinc/48/74/73/674487473.db2.gz RZUHKMWRLYRDEC-BFYDXBDKSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@H+]1C ZINC000954412313 674496682 /nfs/dbraw/zinc/49/66/82/674496682.db2.gz DZEHVPOXRXTNSV-BBWFWOEESA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000956058601 674517216 /nfs/dbraw/zinc/51/72/16/674517216.db2.gz XVIIXFBFQGFBNK-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623746 606926684 /nfs/dbraw/zinc/92/66/84/606926684.db2.gz ROQLDWPROQOYMW-QZTJIDSGSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623746 606926685 /nfs/dbraw/zinc/92/66/85/606926685.db2.gz ROQLDWPROQOYMW-QZTJIDSGSA-N 2 1 371.489 0.612 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000729617308 665736220 /nfs/dbraw/zinc/73/62/20/665736220.db2.gz ABEFYFGEEAKZFX-VQHPVUNQSA-N 2 1 352.479 0.090 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1=O ZINC000897778906 665772062 /nfs/dbraw/zinc/77/20/62/665772062.db2.gz JBXOVKYSYDAKDJ-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000897778906 665772065 /nfs/dbraw/zinc/77/20/65/665772065.db2.gz JBXOVKYSYDAKDJ-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000897778906 665772070 /nfs/dbraw/zinc/77/20/70/665772070.db2.gz JBXOVKYSYDAKDJ-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@@H+]1C ZINC001021262501 663279254 /nfs/dbraw/zinc/27/92/54/663279254.db2.gz OYUQTMQMFGZDQZ-MOTUXRJWSA-N 2 1 357.520 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCS(C)(=O)=O)CC[N@H+]1C ZINC001021262501 663279256 /nfs/dbraw/zinc/27/92/56/663279256.db2.gz OYUQTMQMFGZDQZ-MOTUXRJWSA-N 2 1 357.520 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001021262501 663279257 /nfs/dbraw/zinc/27/92/57/663279257.db2.gz OYUQTMQMFGZDQZ-MOTUXRJWSA-N 2 1 357.520 0.483 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCS(C)(=O)=O)CC[NH+]1C ZINC001021262501 663279259 /nfs/dbraw/zinc/27/92/59/663279259.db2.gz OYUQTMQMFGZDQZ-MOTUXRJWSA-N 2 1 357.520 0.483 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891479832 663408774 /nfs/dbraw/zinc/40/87/74/663408774.db2.gz BHFWPWFPNBMPOY-ZNMIVQPWSA-N 2 1 351.451 0.047 20 0 FCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891526614 663411913 /nfs/dbraw/zinc/41/19/13/663411913.db2.gz COATYSNNDQFSJL-JKSUJKDBSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCc3ccns3)C2)O1 ZINC000971780548 663428215 /nfs/dbraw/zinc/42/82/15/663428215.db2.gz DOWVCKPIFFWFBY-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCc3ccns3)C2)O1 ZINC000971780548 663428217 /nfs/dbraw/zinc/42/82/17/663428217.db2.gz DOWVCKPIFFWFBY-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCc3ccns3)C2)O1 ZINC000971780548 663428218 /nfs/dbraw/zinc/42/82/18/663428218.db2.gz DOWVCKPIFFWFBY-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCc3ccns3)C2)O1 ZINC000971780548 663428219 /nfs/dbraw/zinc/42/82/19/663428219.db2.gz DOWVCKPIFFWFBY-IJEWVQPXSA-N 2 1 352.504 0.937 20 0 FCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC000891698608 663429252 /nfs/dbraw/zinc/42/92/52/663429252.db2.gz HVZCNVOJCRNBTQ-GJZGRUSLSA-N 2 1 356.511 0.630 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000933847036 663444370 /nfs/dbraw/zinc/44/43/70/663444370.db2.gz DKZRAYYJZKPBSD-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000933847036 663444373 /nfs/dbraw/zinc/44/43/73/663444373.db2.gz DKZRAYYJZKPBSD-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000933847036 663444375 /nfs/dbraw/zinc/44/43/75/663444375.db2.gz DKZRAYYJZKPBSD-HOTGVXAUSA-N 2 1 350.507 0.777 20 0 FCADMP C(C[NH+]1CCC[C@@H]1C1OCCO1)OCC[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933902007 663447766 /nfs/dbraw/zinc/44/77/66/663447766.db2.gz YMEQBDNJCBKRDK-IYBDPMFKSA-N 2 1 356.463 0.678 20 0 FCADMP C(C[NH+]1CCC[C@H]1C1OCCO1)OCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902007 663447769 /nfs/dbraw/zinc/44/77/69/663447769.db2.gz YMEQBDNJCBKRDK-IYBDPMFKSA-N 2 1 356.463 0.678 20 0 FCADMP C(C[NH+]1CCC[C@H]1C1OCCO1)OCC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933902007 663447771 /nfs/dbraw/zinc/44/77/71/663447771.db2.gz YMEQBDNJCBKRDK-IYBDPMFKSA-N 2 1 356.463 0.678 20 0 FCADMP CCCNC(=O)CN1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000891926328 663449820 /nfs/dbraw/zinc/44/98/20/663449820.db2.gz MKJUTEWLZYZVOG-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000891926328 663449822 /nfs/dbraw/zinc/44/98/22/663449822.db2.gz MKJUTEWLZYZVOG-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000891926328 663449824 /nfs/dbraw/zinc/44/98/24/663449824.db2.gz MKJUTEWLZYZVOG-GOEBONIOSA-N 2 1 351.495 0.323 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891980450 663461152 /nfs/dbraw/zinc/46/11/52/663461152.db2.gz VJYIOMGNQMONDI-IRXDYDNUSA-N 2 1 353.511 0.082 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892283390 663521254 /nfs/dbraw/zinc/52/12/54/663521254.db2.gz XCBPPUFNJRRVAL-YESZJQIVSA-N 2 1 353.511 0.223 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442059 663902618 /nfs/dbraw/zinc/90/26/18/663902618.db2.gz QUKJUHOCHDXRCB-JYJNAYRXSA-N 2 1 351.495 0.452 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000892648551 664059385 /nfs/dbraw/zinc/05/93/85/664059385.db2.gz FGIOPKNXHMUATN-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000892648551 664059388 /nfs/dbraw/zinc/05/93/88/664059388.db2.gz FGIOPKNXHMUATN-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000892648551 664059390 /nfs/dbraw/zinc/05/93/90/664059390.db2.gz FGIOPKNXHMUATN-HOTGVXAUSA-N 2 1 353.511 0.665 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000973336131 664099479 /nfs/dbraw/zinc/09/94/79/664099479.db2.gz WWTBFERFMUVNKW-OVYGPGRDSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC000973336131 664099483 /nfs/dbraw/zinc/09/94/83/664099483.db2.gz WWTBFERFMUVNKW-OVYGPGRDSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)CC[NH+]1C ZINC000973336131 664099486 /nfs/dbraw/zinc/09/94/86/664099486.db2.gz WWTBFERFMUVNKW-OVYGPGRDSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000973334342 664100104 /nfs/dbraw/zinc/10/01/04/664100104.db2.gz CVPDFVLJKXADNF-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000973334342 664100106 /nfs/dbraw/zinc/10/01/06/664100106.db2.gz CVPDFVLJKXADNF-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC000973334342 664100108 /nfs/dbraw/zinc/10/01/08/664100108.db2.gz CVPDFVLJKXADNF-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP CC1(C)CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CCO ZINC000892761981 664138185 /nfs/dbraw/zinc/13/81/85/664138185.db2.gz DTKNQFOXNKZSJH-HNNXBMFYSA-N 2 1 354.495 0.243 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000892764663 664138917 /nfs/dbraw/zinc/13/89/17/664138917.db2.gz VZUNJVZRRFSWBR-HRCADAONSA-N 2 1 354.495 0.242 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000974191220 664227531 /nfs/dbraw/zinc/22/75/31/664227531.db2.gz WWTBFERFMUVNKW-UHDSXZAQSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(=O)N(C)C3CC3)CC2(C)C)CC[N@@H+]1C ZINC000974589360 664266085 /nfs/dbraw/zinc/26/60/85/664266085.db2.gz UMBSQSSUSNVRKA-BMFZPTHFSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(=O)N(C)C3CC3)CC2(C)C)CC[N@H+]1C ZINC000974589360 664266087 /nfs/dbraw/zinc/26/60/87/664266087.db2.gz UMBSQSSUSNVRKA-BMFZPTHFSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CC(=O)N(C)C3CC3)CC2(C)C)CC[NH+]1C ZINC000974589360 664266089 /nfs/dbraw/zinc/26/60/89/664266089.db2.gz UMBSQSSUSNVRKA-BMFZPTHFSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC2(C)C)CC[NH+]1C ZINC000974589360 664266091 /nfs/dbraw/zinc/26/60/91/664266091.db2.gz UMBSQSSUSNVRKA-BMFZPTHFSA-N 2 1 350.507 0.774 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001026916191 664277055 /nfs/dbraw/zinc/27/70/55/664277055.db2.gz CWBCJZKUEVYSKG-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001026916191 664277056 /nfs/dbraw/zinc/27/70/56/664277056.db2.gz CWBCJZKUEVYSKG-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026916893 664277367 /nfs/dbraw/zinc/27/73/67/664277367.db2.gz QVUCWSJNNDRZCD-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP Cc1nnsc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026916893 664277370 /nfs/dbraw/zinc/27/73/70/664277370.db2.gz QVUCWSJNNDRZCD-MRVWCRGKSA-N 2 1 353.492 0.504 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026917193 664277617 /nfs/dbraw/zinc/27/76/17/664277617.db2.gz WUXSRRXVMUAERL-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001026917193 664277619 /nfs/dbraw/zinc/27/76/19/664277619.db2.gz WUXSRRXVMUAERL-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21)[NH+](C)C ZINC000975861867 664355671 /nfs/dbraw/zinc/35/56/71/664355671.db2.gz KNLXXVCAWHMOHI-HZMVEIRTSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001027893235 664472429 /nfs/dbraw/zinc/47/24/29/664472429.db2.gz PVGZQAFILNQTCM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001027893235 664472430 /nfs/dbraw/zinc/47/24/30/664472430.db2.gz PVGZQAFILNQTCM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001027893235 664472431 /nfs/dbraw/zinc/47/24/31/664472431.db2.gz PVGZQAFILNQTCM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001027893235 664472433 /nfs/dbraw/zinc/47/24/33/664472433.db2.gz PVGZQAFILNQTCM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001027893235 664472435 /nfs/dbraw/zinc/47/24/35/664472435.db2.gz PVGZQAFILNQTCM-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000981956343 664851263 /nfs/dbraw/zinc/85/12/63/664851263.db2.gz IHBCTILMZWHGON-VVLHAWIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000981956343 664851266 /nfs/dbraw/zinc/85/12/66/664851266.db2.gz IHBCTILMZWHGON-VVLHAWIVSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@H]2C1 ZINC000893739468 664873031 /nfs/dbraw/zinc/87/30/31/664873031.db2.gz BCIBADZUXNZJRQ-ATLSCFEFSA-N 2 1 350.507 0.957 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001028547382 664901426 /nfs/dbraw/zinc/90/14/26/664901426.db2.gz SAUKPACFSLXHGI-NXHRZFHOSA-N 2 1 353.507 0.554 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549357 664901458 /nfs/dbraw/zinc/90/14/58/664901458.db2.gz PJBAMSDVYGXXJI-BZUAXINKSA-N 2 1 366.531 0.997 20 0 FCADMP CCc1nocc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628109 664930562 /nfs/dbraw/zinc/93/05/62/664930562.db2.gz OBTATJYOZGSMQR-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628109 664930563 /nfs/dbraw/zinc/93/05/63/664930563.db2.gz OBTATJYOZGSMQR-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628109 664930564 /nfs/dbraw/zinc/93/05/64/664930564.db2.gz OBTATJYOZGSMQR-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628109 664930566 /nfs/dbraw/zinc/93/05/66/664930566.db2.gz OBTATJYOZGSMQR-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CCc1nocc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628109 664930567 /nfs/dbraw/zinc/93/05/67/664930567.db2.gz OBTATJYOZGSMQR-JKIFEVAISA-N 2 1 350.463 0.894 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc(Br)nn2C)CC1 ZINC000894238062 664931505 /nfs/dbraw/zinc/93/15/05/664931505.db2.gz OQXAEFVAPYCSNO-LBPRGKRZSA-N 2 1 359.316 0.941 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(CC)C3=O)C2)CC[N@H+]1C ZINC000983713170 664985531 /nfs/dbraw/zinc/98/55/31/664985531.db2.gz GWIPFGVSICTLEA-QUSNUVHPSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCCO2)O1 ZINC001029357675 665019041 /nfs/dbraw/zinc/01/90/41/665019041.db2.gz PEZUXKBOHMSVHY-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCCCO2)O1 ZINC001029357675 665019043 /nfs/dbraw/zinc/01/90/43/665019043.db2.gz PEZUXKBOHMSVHY-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCCO2)O1 ZINC001029357675 665019047 /nfs/dbraw/zinc/01/90/47/665019047.db2.gz PEZUXKBOHMSVHY-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCCO2)O1 ZINC001029357675 665019049 /nfs/dbraw/zinc/01/90/49/665019049.db2.gz PEZUXKBOHMSVHY-DFBDCSAJSA-N 2 1 351.491 0.950 20 0 FCADMP CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000895297915 665036034 /nfs/dbraw/zinc/03/60/34/665036034.db2.gz FPIMXDXLVBSKHY-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000895297915 665036036 /nfs/dbraw/zinc/03/60/36/665036036.db2.gz FPIMXDXLVBSKHY-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895456458 665044932 /nfs/dbraw/zinc/04/49/32/665044932.db2.gz DVEYJVXTDAQTBG-QGZVFWFLSA-N 2 1 351.491 0.858 20 0 FCADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897007311 665140252 /nfs/dbraw/zinc/14/02/52/665140252.db2.gz XKEITSGSMIPMNL-ZWKOTPCHSA-N 2 1 351.491 0.857 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000988099228 665275497 /nfs/dbraw/zinc/27/54/97/665275497.db2.gz ULPXHZXKOUMTFU-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000988099228 665275500 /nfs/dbraw/zinc/27/55/00/665275500.db2.gz ULPXHZXKOUMTFU-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000988099228 665275501 /nfs/dbraw/zinc/27/55/01/665275501.db2.gz ULPXHZXKOUMTFU-PMPSAXMXSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000729288546 665290275 /nfs/dbraw/zinc/29/02/75/665290275.db2.gz VCPYGQJYPHWHJN-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000729288546 665290276 /nfs/dbraw/zinc/29/02/76/665290276.db2.gz VCPYGQJYPHWHJN-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000897488213 665293866 /nfs/dbraw/zinc/29/38/66/665293866.db2.gz YBAUOSFUXSKPSW-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000897488213 665293868 /nfs/dbraw/zinc/29/38/68/665293868.db2.gz YBAUOSFUXSKPSW-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000897488213 665293869 /nfs/dbraw/zinc/29/38/69/665293869.db2.gz YBAUOSFUXSKPSW-CVEARBPZSA-N 2 1 351.495 0.419 20 0 FCADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[C@@]1(O)CCOC1 ZINC000905202687 666011972 /nfs/dbraw/zinc/01/19/72/666011972.db2.gz HOJOJSNSCQJLBY-QYZOEREBSA-N 2 1 350.459 0.245 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000905333431 666019622 /nfs/dbraw/zinc/01/96/22/666019622.db2.gz DKQDKOLABBGLFF-UHFFFAOYSA-N 2 1 352.504 0.965 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000907602880 666146779 /nfs/dbraw/zinc/14/67/79/666146779.db2.gz FZEHJVGIWBZAFN-KRWDZBQOSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000910862323 666284914 /nfs/dbraw/zinc/28/49/14/666284914.db2.gz FJMLLSKQQCYYID-QGZVFWFLSA-N 2 1 354.539 0.564 20 0 FCADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000910862323 666284917 /nfs/dbraw/zinc/28/49/17/666284917.db2.gz FJMLLSKQQCYYID-QGZVFWFLSA-N 2 1 354.539 0.564 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911185419 666320088 /nfs/dbraw/zinc/32/00/88/666320088.db2.gz FAPAYYIOSXCPCD-YESZJQIVSA-N 2 1 350.507 0.683 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000911317498 666337762 /nfs/dbraw/zinc/33/77/62/666337762.db2.gz WCPXBYKUNGZFGO-YLFCFFPRSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000911317498 666337765 /nfs/dbraw/zinc/33/77/65/666337765.db2.gz WCPXBYKUNGZFGO-YLFCFFPRSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911564295 666367033 /nfs/dbraw/zinc/36/70/33/666367033.db2.gz SJFQCPUHDBNZSE-OWCLPIDISA-N 2 1 354.495 0.250 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC000938718039 666478494 /nfs/dbraw/zinc/47/84/94/666478494.db2.gz ZJSCDAJDAVEAPH-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000938718039 666478495 /nfs/dbraw/zinc/47/84/95/666478495.db2.gz ZJSCDAJDAVEAPH-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC000938718039 666478497 /nfs/dbraw/zinc/47/84/97/666478497.db2.gz ZJSCDAJDAVEAPH-HYVNUMGLSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000938831759 666487757 /nfs/dbraw/zinc/48/77/57/666487757.db2.gz KOCRASIGDWRTFW-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000938831759 666487760 /nfs/dbraw/zinc/48/77/60/666487760.db2.gz KOCRASIGDWRTFW-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000938831759 666487762 /nfs/dbraw/zinc/48/77/62/666487762.db2.gz KOCRASIGDWRTFW-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884531 666530927 /nfs/dbraw/zinc/53/09/27/666530927.db2.gz JRMGDRDOXISWKL-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+](C)CCCNC(=S)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000916007455 666986287 /nfs/dbraw/zinc/98/62/87/666986287.db2.gz HWFHUHPXVXLZJG-UHFFFAOYSA-N 2 1 355.552 0.443 20 0 FCADMP C[NH+](C)CCCNC(=S)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000916007455 666986288 /nfs/dbraw/zinc/98/62/88/666986288.db2.gz HWFHUHPXVXLZJG-UHFFFAOYSA-N 2 1 355.552 0.443 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000994419173 667039272 /nfs/dbraw/zinc/03/92/72/667039272.db2.gz WSUWQRGMECXOJI-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000994419173 667039277 /nfs/dbraw/zinc/03/92/77/667039277.db2.gz WSUWQRGMECXOJI-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000994419173 667039281 /nfs/dbraw/zinc/03/92/81/667039281.db2.gz WSUWQRGMECXOJI-VQHPVUNQSA-N 2 1 350.507 0.776 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000735843369 667053424 /nfs/dbraw/zinc/05/34/24/667053424.db2.gz VUZVFWUNEILVEX-UHFFFAOYSA-N 2 1 352.479 0.087 20 0 FCADMP CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000997792655 667176465 /nfs/dbraw/zinc/17/64/65/667176465.db2.gz JJHUTIJUFADYKE-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000999196502 667230599 /nfs/dbraw/zinc/23/05/99/667230599.db2.gz SCSZVNGQNRYQIM-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001031681242 667263951 /nfs/dbraw/zinc/26/39/51/667263951.db2.gz KCTFWRSXNHDPRS-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@@H]3C)C2)CC[N@H+]1C ZINC001031681242 667263954 /nfs/dbraw/zinc/26/39/54/667263954.db2.gz KCTFWRSXNHDPRS-ZMSDIMECSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC[C@H]3CCOC3)CC2)O1 ZINC001000837014 667487307 /nfs/dbraw/zinc/48/73/07/667487307.db2.gz KHOHYJWSVJRNQT-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC[C@H]3CCOC3)CC2)O1 ZINC001000837014 667487309 /nfs/dbraw/zinc/48/73/09/667487309.db2.gz KHOHYJWSVJRNQT-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CC[C@H]3CCOC3)CC2)O1 ZINC001000837014 667487311 /nfs/dbraw/zinc/48/73/11/667487311.db2.gz KHOHYJWSVJRNQT-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CC[C@H]3CCOC3)CC2)O1 ZINC001000837014 667487312 /nfs/dbraw/zinc/48/73/12/667487312.db2.gz KHOHYJWSVJRNQT-BPQIPLTHSA-N 2 1 351.491 0.880 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@H+]1C ZINC001002257965 667528423 /nfs/dbraw/zinc/52/84/23/667528423.db2.gz JVNNBHJTGPHLKA-MXASKKJJSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001002257965 667528426 /nfs/dbraw/zinc/52/84/26/667528426.db2.gz JVNNBHJTGPHLKA-MXASKKJJSA-N 2 1 350.507 0.632 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001002257965 667528431 /nfs/dbraw/zinc/52/84/31/667528431.db2.gz JVNNBHJTGPHLKA-MXASKKJJSA-N 2 1 350.507 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC001002851246 667571140 /nfs/dbraw/zinc/57/11/40/667571140.db2.gz FMMGOSOWDXTWJP-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001002851246 667571143 /nfs/dbraw/zinc/57/11/43/667571143.db2.gz FMMGOSOWDXTWJP-HLLBOEOZSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001002917024 667582599 /nfs/dbraw/zinc/58/25/99/667582599.db2.gz HFMQMYQLDWDDJY-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595290 667675675 /nfs/dbraw/zinc/67/56/75/667675675.db2.gz RDTLLBAJEZKQSN-NQNKBUKLSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595290 667675677 /nfs/dbraw/zinc/67/56/77/667675677.db2.gz RDTLLBAJEZKQSN-NQNKBUKLSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595290 667675679 /nfs/dbraw/zinc/67/56/79/667675679.db2.gz RDTLLBAJEZKQSN-NQNKBUKLSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001033836400 667739236 /nfs/dbraw/zinc/73/92/36/667739236.db2.gz BJEBBQAJHNYXBU-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001033836400 667739239 /nfs/dbraw/zinc/73/92/39/667739239.db2.gz BJEBBQAJHNYXBU-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001033836400 667739245 /nfs/dbraw/zinc/73/92/45/667739245.db2.gz BJEBBQAJHNYXBU-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001033836400 667739249 /nfs/dbraw/zinc/73/92/49/667739249.db2.gz BJEBBQAJHNYXBU-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+](C)CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000758270660 667750595 /nfs/dbraw/zinc/75/05/95/667750595.db2.gz LRENRVMBTIXCNS-INIZCTEOSA-N 2 1 359.536 0.830 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001034647497 667762073 /nfs/dbraw/zinc/76/20/73/667762073.db2.gz IZOCXFMXJJISFM-QBPKDAKJSA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710783 667790155 /nfs/dbraw/zinc/79/01/55/667790155.db2.gz SJTAKROQSLRIMK-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710783 667790158 /nfs/dbraw/zinc/79/01/58/667790158.db2.gz SJTAKROQSLRIMK-ARFHVFGLSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000761123329 667878427 /nfs/dbraw/zinc/87/84/27/667878427.db2.gz KYLLHJFJPNXYHI-KRWDZBQOSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000763034731 667941315 /nfs/dbraw/zinc/94/13/15/667941315.db2.gz YYUVLOHRBRKZLH-LSDHHAIUSA-N 2 1 352.483 0.206 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000764500849 667985037 /nfs/dbraw/zinc/98/50/37/667985037.db2.gz AKDDJSONVHWUBA-HNNXBMFYSA-N 2 1 369.579 0.687 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000764504211 667985455 /nfs/dbraw/zinc/98/54/55/667985455.db2.gz PSNGOCZQBYGYNH-OAHLLOKOSA-N 2 1 353.536 0.194 20 0 FCADMP C[C@H]1CCC[NH+]1CCNC(=O)CSCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783918203 668636729 /nfs/dbraw/zinc/63/67/29/668636729.db2.gz PZGQDYDPVQABSD-HOTGVXAUSA-N 2 1 370.563 0.921 20 0 FCADMP O=C1O[C@]2(CN1C[NH+]1CCC(C3OCCO3)CC1)C[NH+]1CCC2CC1 ZINC000790362435 668875329 /nfs/dbraw/zinc/87/53/29/668875329.db2.gz LNWPVPZLKPEMEJ-SFHVURJKSA-N 2 1 351.447 0.945 20 0 FCADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000793738756 668947277 /nfs/dbraw/zinc/94/72/77/668947277.db2.gz UKWBSDDAMXVJKC-INIZCTEOSA-N 2 1 350.507 0.966 20 0 FCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819055191 668974763 /nfs/dbraw/zinc/97/47/63/668974763.db2.gz PQUQJRMURYQSIZ-ZDUSSCGKSA-N 2 1 373.441 0.593 20 0 FCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000819055191 668974765 /nfs/dbraw/zinc/97/47/65/668974765.db2.gz PQUQJRMURYQSIZ-ZDUSSCGKSA-N 2 1 373.441 0.593 20 0 FCADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000819287918 668994259 /nfs/dbraw/zinc/99/42/59/668994259.db2.gz SENZKGVEOHUYHB-OAHLLOKOSA-N 2 1 358.527 0.878 20 0 FCADMP CC(C)[N@H+](C)CC1CC[NH+](CN2CC3(CCOCC3)[C@H](O)C2=O)CC1 ZINC000840002060 669345708 /nfs/dbraw/zinc/34/57/08/669345708.db2.gz FPYWCWITUYYECU-QGZVFWFLSA-N 2 1 353.507 0.996 20 0 FCADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC3(CCOCC3)[C@H](O)C2=O)CC1 ZINC000840002060 669345712 /nfs/dbraw/zinc/34/57/12/669345712.db2.gz FPYWCWITUYYECU-QGZVFWFLSA-N 2 1 353.507 0.996 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804048874 669353692 /nfs/dbraw/zinc/35/36/92/669353692.db2.gz ABZLISOHJSJUEA-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1)C(N)=O ZINC000963823288 675008674 /nfs/dbraw/zinc/00/86/74/675008674.db2.gz BIMHKFWRGFHFQI-DJCJQMBPSA-N 2 1 350.507 0.998 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000831253812 669837767 /nfs/dbraw/zinc/83/77/67/669837767.db2.gz WUWCZIHLMIYSHF-UHFFFAOYSA-N 2 1 353.511 0.701 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000842050241 670630450 /nfs/dbraw/zinc/63/04/50/670630450.db2.gz RTKTZTHMPYGMJH-HNAYVOBHSA-N 2 1 350.507 0.968 20 0 FCADMP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000843071690 670773347 /nfs/dbraw/zinc/77/33/47/670773347.db2.gz BWLMFBLLYBWSHH-FUHWJXTLSA-N 2 1 370.515 0.950 20 0 FCADMP CCN(C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843364063 670808163 /nfs/dbraw/zinc/80/81/63/670808163.db2.gz NIFRBEXXFDAOMJ-LSDHHAIUSA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843364063 670808174 /nfs/dbraw/zinc/80/81/74/670808174.db2.gz NIFRBEXXFDAOMJ-LSDHHAIUSA-N 2 1 357.520 0.486 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846706828 671139281 /nfs/dbraw/zinc/13/92/81/671139281.db2.gz QMRIPATVDOPFFQ-OLZOCXBDSA-N 2 1 351.451 0.474 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000849111122 671318333 /nfs/dbraw/zinc/31/83/33/671318333.db2.gz UBSOIHKSAXWTBW-AWEZNQCLSA-N 2 1 357.499 0.982 20 0 FCADMP O=C1O[C@]2(CN1CN1CC[NH+]([C@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000853554704 671550097 /nfs/dbraw/zinc/55/00/97/671550097.db2.gz ZJYWNSFJLWBBME-WMZOPIPTSA-N 2 1 350.463 0.267 20 0 FCADMP C[C@H]1CCCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903562424 675944990 /nfs/dbraw/zinc/94/49/90/675944990.db2.gz MVJBLFCTRCHIHA-BHYGNILZSA-N 2 1 356.536 0.864 20 0 FCADMP C[C@H]1CCCN(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903562424 675944991 /nfs/dbraw/zinc/94/49/91/675944991.db2.gz MVJBLFCTRCHIHA-BHYGNILZSA-N 2 1 356.536 0.864 20 0 FCADMP O=S(=O)(CC1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562181 675945108 /nfs/dbraw/zinc/94/51/08/675945108.db2.gz GGAPWGSZHYBPFU-CALCHBBNSA-N 2 1 357.520 0.643 20 0 FCADMP O=S(=O)(CC1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562181 675945111 /nfs/dbraw/zinc/94/51/11/675945111.db2.gz GGAPWGSZHYBPFU-CALCHBBNSA-N 2 1 357.520 0.643 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)C ZINC000861570233 671973030 /nfs/dbraw/zinc/97/30/30/671973030.db2.gz MLZZOLWFOWRDIK-UHFFFAOYSA-N 2 1 354.499 0.069 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000861742343 671989541 /nfs/dbraw/zinc/98/95/41/671989541.db2.gz GVEMYLTULVMVNG-UONOGXRCSA-N 2 1 352.504 0.882 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000861754621 671991517 /nfs/dbraw/zinc/99/15/17/671991517.db2.gz NSYDIGHJBDZELA-HOCLYGCPSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000861754621 671991519 /nfs/dbraw/zinc/99/15/19/671991519.db2.gz NSYDIGHJBDZELA-HOCLYGCPSA-N 2 1 364.515 0.526 20 0 FCADMP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733885 675964934 /nfs/dbraw/zinc/96/49/34/675964934.db2.gz SBYQVKJJSHTATC-RDJZCZTQSA-N 2 1 350.507 0.430 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758440 675968987 /nfs/dbraw/zinc/96/89/87/675968987.db2.gz JYTYXKUZYNPKNG-HOTGVXAUSA-N 2 1 359.536 0.749 20 0 FCADMP O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903914850 675981882 /nfs/dbraw/zinc/98/18/82/675981882.db2.gz LGUKSXVWAOYMFH-RYUDHWBXSA-N 2 1 360.384 0.703 20 0 FCADMP O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903914848 675981962 /nfs/dbraw/zinc/98/19/62/675981962.db2.gz LGUKSXVWAOYMFH-NWDGAFQWSA-N 2 1 360.384 0.703 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)CC[N@@H+]1C ZINC001053260897 675992711 /nfs/dbraw/zinc/99/27/11/675992711.db2.gz LTTZVPCBWZYMCK-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)CC[N@H+]1C ZINC001053260897 675992712 /nfs/dbraw/zinc/99/27/12/675992712.db2.gz LTTZVPCBWZYMCK-NVXWUHKLSA-N 2 1 351.491 0.666 20 0 FCADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000923604139 672349012 /nfs/dbraw/zinc/34/90/12/672349012.db2.gz SMPRMAIDTLCJAL-UHFFFAOYSA-N 2 1 366.531 0.777 20 0 FCADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000923604139 672349016 /nfs/dbraw/zinc/34/90/16/672349016.db2.gz SMPRMAIDTLCJAL-UHFFFAOYSA-N 2 1 366.531 0.777 20 0 FCADMP C/C=C(/C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583198 676024848 /nfs/dbraw/zinc/02/48/48/676024848.db2.gz DASBBGFNLVQBFZ-HFRZQLDCSA-N 2 1 350.507 0.990 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)CCCF)CC2)CC[N@H+]1C ZINC001055615267 676027346 /nfs/dbraw/zinc/02/73/46/676027346.db2.gz RIMYNBVUJGRHHV-GDBMZVCRSA-N 2 1 356.486 0.773 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146510 672594703 /nfs/dbraw/zinc/59/47/03/672594703.db2.gz PLKHQBXOEFXIFW-WCXIOVBPSA-N 2 1 351.491 0.639 20 0 FCADMP CN1CC[NH+](CC2(C)CC[NH+](CN3CC4(COC4)CC3=O)CC2)CC1 ZINC000872597923 672643065 /nfs/dbraw/zinc/64/30/65/672643065.db2.gz TXHWDSWRAVBFMN-UHFFFAOYSA-N 2 1 350.507 0.542 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000876961097 672990166 /nfs/dbraw/zinc/99/01/66/672990166.db2.gz QAQAJBUBRMGAJD-UHFFFAOYSA-N 2 1 369.531 0.931 20 0 FCADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879449976 673121207 /nfs/dbraw/zinc/12/12/07/673121207.db2.gz WQNHDHXDFRHQOG-GOSISDBHSA-N 2 1 351.491 0.752 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879449976 673121208 /nfs/dbraw/zinc/12/12/08/673121208.db2.gz WQNHDHXDFRHQOG-GOSISDBHSA-N 2 1 351.491 0.752 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879568924 673128176 /nfs/dbraw/zinc/12/81/76/673128176.db2.gz FWUUFROTWQJZND-RCCFBDPRSA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000879568924 673128179 /nfs/dbraw/zinc/12/81/79/673128179.db2.gz FWUUFROTWQJZND-RCCFBDPRSA-N 2 1 352.523 0.485 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000879568924 673128181 /nfs/dbraw/zinc/12/81/81/673128181.db2.gz FWUUFROTWQJZND-RCCFBDPRSA-N 2 1 352.523 0.485 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001051680083 676108339 /nfs/dbraw/zinc/10/83/39/676108339.db2.gz KEYQFKCWCRWWLA-VNHYZAJKSA-N 2 1 354.476 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccns3)C2)O1 ZINC001051680083 676108341 /nfs/dbraw/zinc/10/83/41/676108341.db2.gz KEYQFKCWCRWWLA-VNHYZAJKSA-N 2 1 354.476 0.179 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678486 676108526 /nfs/dbraw/zinc/10/85/26/676108526.db2.gz CFVNJTPREUCGLW-BPLDGKMQSA-N 2 1 368.503 0.488 20 0 FCADMP Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051678486 676108528 /nfs/dbraw/zinc/10/85/28/676108528.db2.gz CFVNJTPREUCGLW-BPLDGKMQSA-N 2 1 368.503 0.488 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)CC1 ZINC000880585721 673201566 /nfs/dbraw/zinc/20/15/66/673201566.db2.gz IXDOVRJSTHAPAK-KRWDZBQOSA-N 2 1 353.507 0.839 20 0 FCADMP C[N@@H+](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000881623524 673233542 /nfs/dbraw/zinc/23/35/42/673233542.db2.gz ITCSEFUFYPWISG-OAHLLOKOSA-N 2 1 368.547 0.756 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001052394279 676122979 /nfs/dbraw/zinc/12/29/79/676122979.db2.gz VSAAPCQBABDQGG-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052394279 676122981 /nfs/dbraw/zinc/12/29/81/676122981.db2.gz VSAAPCQBABDQGG-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)CC[NH+]1C ZINC001052394279 676122982 /nfs/dbraw/zinc/12/29/82/676122982.db2.gz VSAAPCQBABDQGG-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000883538161 673381848 /nfs/dbraw/zinc/38/18/48/673381848.db2.gz NQRLUPMAMRVCIW-XIRDDKMYSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000883538161 673381850 /nfs/dbraw/zinc/38/18/50/673381850.db2.gz NQRLUPMAMRVCIW-XIRDDKMYSA-N 2 1 354.495 0.648 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883710668 673392293 /nfs/dbraw/zinc/39/22/93/673392293.db2.gz QNJIKVQZCGFERP-QGZVFWFLSA-N 2 1 354.495 0.651 20 0 FCADMP CC(=O)N1C[C@@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H]2C1 ZINC000883770450 673395062 /nfs/dbraw/zinc/39/50/62/673395062.db2.gz RBIXAOLMKBQSJS-BHYGNILZSA-N 2 1 353.511 0.378 20 0 FCADMP CC(=O)N1C[C@@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H]2C1 ZINC000883770450 673395066 /nfs/dbraw/zinc/39/50/66/673395066.db2.gz RBIXAOLMKBQSJS-BHYGNILZSA-N 2 1 353.511 0.378 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000884213761 673438555 /nfs/dbraw/zinc/43/85/55/673438555.db2.gz KPJKOQBZOHIRBP-MRXNPFEDSA-N 2 1 350.507 0.635 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000884213760 673438654 /nfs/dbraw/zinc/43/86/54/673438654.db2.gz KPJKOQBZOHIRBP-INIZCTEOSA-N 2 1 350.507 0.635 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884523393 673459886 /nfs/dbraw/zinc/45/98/86/673459886.db2.gz WHJJTZQFJOJQOU-DZGCQCFKSA-N 2 1 364.515 0.821 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884523393 673459889 /nfs/dbraw/zinc/45/98/89/673459889.db2.gz WHJJTZQFJOJQOU-DZGCQCFKSA-N 2 1 364.515 0.821 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884546180 673461003 /nfs/dbraw/zinc/46/10/03/673461003.db2.gz CHTAKOHGAUBXBP-VXGBXAGGSA-N 2 1 352.401 0.430 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000884571368 673462883 /nfs/dbraw/zinc/46/28/83/673462883.db2.gz NKECMSVBSWMDBJ-SUNYJGFJSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571368 673462885 /nfs/dbraw/zinc/46/28/85/673462885.db2.gz NKECMSVBSWMDBJ-SUNYJGFJSA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884598330 673464741 /nfs/dbraw/zinc/46/47/41/673464741.db2.gz YKPYCJFCCLDUTL-JTDSTZFVSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884597804 673464754 /nfs/dbraw/zinc/46/47/54/673464754.db2.gz KHKAWQSGHAMNDF-WNKDZCFJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884597841 673464762 /nfs/dbraw/zinc/46/47/62/673464762.db2.gz LTINBMJVEOWFRK-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000884598336 673464856 /nfs/dbraw/zinc/46/48/56/673464856.db2.gz YLPIVDKKZIKDOO-YYIAUSFCSA-N 2 1 352.523 0.914 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884601471 673464993 /nfs/dbraw/zinc/46/49/93/673464993.db2.gz MDDVBABEAOLVFZ-GJZGRUSLSA-N 2 1 354.495 0.108 20 0 FCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884631807 673468198 /nfs/dbraw/zinc/46/81/98/673468198.db2.gz YKZCFQTUKYHQTR-HNAYVOBHSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884649752 673469861 /nfs/dbraw/zinc/46/98/61/673469861.db2.gz NSRLVYJXFCVSDE-OCCSQVGLSA-N 2 1 358.433 0.481 20 0 FCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000884649751 673469890 /nfs/dbraw/zinc/46/98/90/673469890.db2.gz NSRLVYJXFCVSDE-JSGCOSHPSA-N 2 1 358.433 0.481 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000884669610 673471212 /nfs/dbraw/zinc/47/12/12/673471212.db2.gz AUKULSSVOWGUME-KHYOSLBOSA-N 2 1 350.507 0.953 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000884669668 673471270 /nfs/dbraw/zinc/47/12/70/673471270.db2.gz CJWJDGUGFJSPDJ-WCQYABFASA-N 2 1 363.487 0.230 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884736861 673478694 /nfs/dbraw/zinc/47/86/94/673478694.db2.gz CGGLBQIPUBSDSJ-OLZOCXBDSA-N 2 1 366.428 0.676 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884878945 673487963 /nfs/dbraw/zinc/48/79/63/673487963.db2.gz OEPBZDKAUAKANA-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967445 673494135 /nfs/dbraw/zinc/49/41/35/673494135.db2.gz FSPJWFZDDVTOQW-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887079161 673620576 /nfs/dbraw/zinc/62/05/76/673620576.db2.gz LJUXPEDUSLNHSJ-QFBILLFUSA-N 2 1 350.507 0.779 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887080802 673620741 /nfs/dbraw/zinc/62/07/41/673620741.db2.gz FYVKGSOCKGELSK-APWZRJJASA-N 2 1 350.507 0.779 20 0 FCADMP C[N@H+](CCO)CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000887256230 673625654 /nfs/dbraw/zinc/62/56/54/673625654.db2.gz QZSULSNKAFHROU-UHFFFAOYSA-N 2 1 350.463 0.607 20 0 FCADMP C[N@@H+](CCO)CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000887256230 673625658 /nfs/dbraw/zinc/62/56/58/673625658.db2.gz QZSULSNKAFHROU-UHFFFAOYSA-N 2 1 350.463 0.607 20 0 FCADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887422975 673630486 /nfs/dbraw/zinc/63/04/86/673630486.db2.gz FZTCECSAHDOWHJ-KRWDZBQOSA-N 2 1 351.543 0.721 20 0 FCADMP CC(C)CN(CCn1cc(CN2CCC[C@H]([NH3+])C2)nn1)CC[NH+](C)C ZINC000887422975 673630490 /nfs/dbraw/zinc/63/04/90/673630490.db2.gz FZTCECSAHDOWHJ-KRWDZBQOSA-N 2 1 351.543 0.721 20 0 FCADMP C[NH+]1CCN(CCCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478574 673754169 /nfs/dbraw/zinc/75/41/69/673754169.db2.gz UUFMFSSILKYFCS-INIZCTEOSA-N 2 1 351.495 0.420 20 0 FCADMP C[NH+]1CCN(CCCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924478576 673754188 /nfs/dbraw/zinc/75/41/88/673754188.db2.gz UUFMFSSILKYFCS-MRXNPFEDSA-N 2 1 351.495 0.420 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924967751 673771497 /nfs/dbraw/zinc/77/14/97/673771497.db2.gz YQUOUSYOVILKFD-GDBMZVCRSA-N 2 1 374.551 0.224 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927642966 673875052 /nfs/dbraw/zinc/87/50/52/673875052.db2.gz SIXPYMWRQITRSL-WBVHZDCISA-N 2 1 354.495 0.602 20 0 FCADMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[C@H]1C ZINC000927642966 673875054 /nfs/dbraw/zinc/87/50/54/673875054.db2.gz SIXPYMWRQITRSL-WBVHZDCISA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC000927642966 673875057 /nfs/dbraw/zinc/87/50/57/673875057.db2.gz SIXPYMWRQITRSL-WBVHZDCISA-N 2 1 354.495 0.602 20 0 FCADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@H]1C ZINC000927642966 673875058 /nfs/dbraw/zinc/87/50/58/673875058.db2.gz SIXPYMWRQITRSL-WBVHZDCISA-N 2 1 354.495 0.602 20 0 FCADMP Cc1nc(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC000969071748 675268592 /nfs/dbraw/zinc/26/85/92/675268592.db2.gz DCPRFUXOOOGBEG-XNRPHZJLSA-N 2 1 352.504 0.904 20 0 FCADMP Cc1nc(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC000969071748 675268599 /nfs/dbraw/zinc/26/85/99/675268599.db2.gz DCPRFUXOOOGBEG-XNRPHZJLSA-N 2 1 352.504 0.904 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001007368342 675288081 /nfs/dbraw/zinc/28/80/81/675288081.db2.gz GCVVSSVFGGMBAP-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001007368342 675288085 /nfs/dbraw/zinc/28/80/85/675288085.db2.gz GCVVSSVFGGMBAP-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001007368342 675288086 /nfs/dbraw/zinc/28/80/86/675288086.db2.gz GCVVSSVFGGMBAP-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001007368342 675288087 /nfs/dbraw/zinc/28/80/87/675288087.db2.gz GCVVSSVFGGMBAP-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001007368342 675288089 /nfs/dbraw/zinc/28/80/89/675288089.db2.gz GCVVSSVFGGMBAP-BHYGNILZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC[N@H+]1C ZINC001011210748 675377435 /nfs/dbraw/zinc/37/74/35/675377435.db2.gz NODRTNASTJOWDC-GVDBMIGSSA-N 2 1 352.523 0.974 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001016530941 675402174 /nfs/dbraw/zinc/40/21/74/675402174.db2.gz FQLCMEVZDRLVMS-SJJHQCBESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C)CC[N@H+]1C ZINC001020301758 675440317 /nfs/dbraw/zinc/44/03/17/675440317.db2.gz WGFVZFIHRWVJDZ-SMLCLMEVSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C)CC[NH+]1C ZINC001020301758 675440320 /nfs/dbraw/zinc/44/03/20/675440320.db2.gz WGFVZFIHRWVJDZ-SMLCLMEVSA-N 2 1 350.507 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)CC[NH+]1C ZINC001020301758 675440322 /nfs/dbraw/zinc/44/03/22/675440322.db2.gz WGFVZFIHRWVJDZ-SMLCLMEVSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)CC[N@H+]1C ZINC001040211146 675460115 /nfs/dbraw/zinc/46/01/15/675460115.db2.gz ULEDLZLEBHDJSS-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001040211146 675460116 /nfs/dbraw/zinc/46/01/16/675460116.db2.gz ULEDLZLEBHDJSS-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001040211146 675460119 /nfs/dbraw/zinc/46/01/19/675460119.db2.gz ULEDLZLEBHDJSS-GPMSIDNRSA-N 2 1 350.507 0.729 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938505 675673931 /nfs/dbraw/zinc/67/39/31/675673931.db2.gz DEKKNDXDZUODTD-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938505 675673933 /nfs/dbraw/zinc/67/39/33/675673933.db2.gz DEKKNDXDZUODTD-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938505 675673935 /nfs/dbraw/zinc/67/39/35/675673935.db2.gz DEKKNDXDZUODTD-MDZRGWNJSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC4CC4)C3)CC2)O1 ZINC001046039499 675682231 /nfs/dbraw/zinc/68/22/31/675682231.db2.gz ZOOHURQBFSSYIV-KBAYOESNSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC4CC4)C3)CC2)O1 ZINC001046039499 675682235 /nfs/dbraw/zinc/68/22/35/675682235.db2.gz ZOOHURQBFSSYIV-KBAYOESNSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CC4CC4)C3)CC2)O1 ZINC001046039499 675682237 /nfs/dbraw/zinc/68/22/37/675682237.db2.gz ZOOHURQBFSSYIV-KBAYOESNSA-N 2 1 350.507 0.334 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC4CC4)C3)CC2)O1 ZINC001046039499 675682239 /nfs/dbraw/zinc/68/22/39/675682239.db2.gz ZOOHURQBFSSYIV-KBAYOESNSA-N 2 1 350.507 0.334 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900687644 675707559 /nfs/dbraw/zinc/70/75/59/675707559.db2.gz VQDXCYBPVAKZFP-UHFFFAOYSA-N 2 1 353.555 0.546 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000900754936 675714002 /nfs/dbraw/zinc/71/40/02/675714002.db2.gz LQRFMPZBXHXZBN-UHFFFAOYSA-N 2 1 354.539 0.756 20 0 FCADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000901299412 675780521 /nfs/dbraw/zinc/78/05/21/675780521.db2.gz PYQFTQYFQSRBAF-IRXDYDNUSA-N 2 1 351.491 0.689 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC000901347177 675784476 /nfs/dbraw/zinc/78/44/76/675784476.db2.gz VAEHWKHQFFIGMA-HNNXBMFYSA-N 2 1 355.479 0.225 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(CCO)CC[NH+](C)CC2)C1 ZINC000901347177 675784479 /nfs/dbraw/zinc/78/44/79/675784479.db2.gz VAEHWKHQFFIGMA-HNNXBMFYSA-N 2 1 355.479 0.225 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897484448 1192183553 /nfs/dbraw/zinc/18/35/53/1192183553.db2.gz PLSIWTOKVFKJKV-HOTGVXAUSA-N 2 1 371.485 0.719 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001772503060 1167729172 /nfs/dbraw/zinc/72/91/72/1167729172.db2.gz PMUFSADORQZEOM-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC(=O)NC2CCOCC2)C1 ZINC000969702951 1168065229 /nfs/dbraw/zinc/06/52/29/1168065229.db2.gz CJBIIQPSQJMDOJ-CKEIUWERSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CN(CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192660 1168160734 /nfs/dbraw/zinc/16/07/34/1168160734.db2.gz KQRWVCZKCVTOAL-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192660 1168160736 /nfs/dbraw/zinc/16/07/36/1168160736.db2.gz KQRWVCZKCVTOAL-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192660 1168160742 /nfs/dbraw/zinc/16/07/42/1168160742.db2.gz KQRWVCZKCVTOAL-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]32)C1 ZINC001083192660 1168160754 /nfs/dbraw/zinc/16/07/54/1168160754.db2.gz KQRWVCZKCVTOAL-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001020614157 1168162243 /nfs/dbraw/zinc/16/22/43/1168162243.db2.gz LTRWYWSATUIWON-MKXGPGLRSA-N 2 1 370.497 0.801 20 0 FCADMP CCn1nnc(C)c1CN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958237 1168235657 /nfs/dbraw/zinc/23/56/57/1168235657.db2.gz KBIVVKVPJZNFFY-PBFPGSCMSA-N 2 1 364.494 0.262 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21)[NH+](C)C ZINC001083195532 1168367530 /nfs/dbraw/zinc/36/75/30/1168367530.db2.gz ABOMWBDEAJXXGE-YESZJQIVSA-N 2 1 362.474 0.137 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21)[NH+](C)C ZINC001083195532 1168367537 /nfs/dbraw/zinc/36/75/37/1168367537.db2.gz ABOMWBDEAJXXGE-YESZJQIVSA-N 2 1 362.474 0.137 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376273 1168484693 /nfs/dbraw/zinc/48/46/93/1168484693.db2.gz QELZJRCQZMLDIB-DJIMGWMZSA-N 2 1 364.494 0.659 20 0 FCADMP CC(C)[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001075376273 1168484697 /nfs/dbraw/zinc/48/46/97/1168484697.db2.gz QELZJRCQZMLDIB-DJIMGWMZSA-N 2 1 364.494 0.659 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001021235228 1168847508 /nfs/dbraw/zinc/84/75/08/1168847508.db2.gz CEOAJIDFBVLXAB-GVDBMIGSSA-N 2 1 360.502 0.768 20 0 FCADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001021287852 1168913187 /nfs/dbraw/zinc/91/31/87/1168913187.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 1 355.446 0.917 20 0 FCADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001021287852 1168913205 /nfs/dbraw/zinc/91/32/05/1168913205.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 1 355.446 0.917 20 0 FCADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001021287852 1168913243 /nfs/dbraw/zinc/91/32/43/1168913243.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 1 355.446 0.917 20 0 FCADMP CO[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212036012 1192341139 /nfs/dbraw/zinc/34/11/39/1192341139.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 1 368.522 0.541 20 0 FCADMP CO[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001212036012 1192341145 /nfs/dbraw/zinc/34/11/45/1192341145.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 1 368.522 0.541 20 0 FCADMP CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104291809 1169658489 /nfs/dbraw/zinc/65/84/89/1169658489.db2.gz VYNVIXIZZCWMSJ-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891415254 1170371777 /nfs/dbraw/zinc/37/17/77/1170371777.db2.gz PDQKMESLWQRRMU-JJXSEGSLSA-N 2 1 365.478 0.295 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104362622 1170487577 /nfs/dbraw/zinc/48/75/77/1170487577.db2.gz AFYVGECFKSKFTM-RBSFLKMASA-N 2 1 366.506 0.596 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000971571926 1170552701 /nfs/dbraw/zinc/55/27/01/1170552701.db2.gz XEWNYXTZGBFOBU-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001022103698 1170656385 /nfs/dbraw/zinc/65/63/85/1170656385.db2.gz LETJWXOKMBFYPM-APIJFGDWSA-N 2 1 363.510 0.548 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218758 1170767017 /nfs/dbraw/zinc/76/70/17/1170767017.db2.gz DXCVSDDNCGIDPD-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21)[NH+](C)C ZINC001022223742 1170779735 /nfs/dbraw/zinc/77/97/35/1170779735.db2.gz UPPRJPCXEXADLI-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1 ZINC001022257245 1170809941 /nfs/dbraw/zinc/80/99/41/1170809941.db2.gz XFVUXKSPEPJRBK-LZLYRXPVSA-N 2 1 367.453 0.959 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)O1 ZINC001022277225 1170824676 /nfs/dbraw/zinc/82/46/76/1170824676.db2.gz YRZKIYUCGPVFQF-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC[C@H]3C)C2)O1 ZINC001022277225 1170824680 /nfs/dbraw/zinc/82/46/80/1170824680.db2.gz YRZKIYUCGPVFQF-OVYGPGRDSA-N 2 1 366.506 0.343 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891740648 1170840816 /nfs/dbraw/zinc/84/08/16/1170840816.db2.gz WAARCBPYMBMWNQ-SQNIBIBYSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891740648 1170840819 /nfs/dbraw/zinc/84/08/19/1170840819.db2.gz WAARCBPYMBMWNQ-SQNIBIBYSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001691159677 1170843895 /nfs/dbraw/zinc/84/38/95/1170843895.db2.gz JTQILSGHPXAXQA-BZUAXINKSA-N 2 1 361.490 0.734 20 0 FCADMP CC(C)CNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001691159677 1170843897 /nfs/dbraw/zinc/84/38/97/1170843897.db2.gz JTQILSGHPXAXQA-BZUAXINKSA-N 2 1 361.490 0.734 20 0 FCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000891762957 1170850396 /nfs/dbraw/zinc/85/03/96/1170850396.db2.gz VGTFMWCIGRCHNL-IAGOWNOFSA-N 2 1 373.505 0.334 20 0 FCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000891762957 1170850398 /nfs/dbraw/zinc/85/03/98/1170850398.db2.gz VGTFMWCIGRCHNL-IAGOWNOFSA-N 2 1 373.505 0.334 20 0 FCADMP C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@@H+](C)CC1 ZINC000891766109 1170850574 /nfs/dbraw/zinc/85/05/74/1170850574.db2.gz RJJRAAOINCOZIE-XZDPQHSOSA-N 2 1 363.462 0.213 20 0 FCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440305 1171035293 /nfs/dbraw/zinc/03/52/93/1171035293.db2.gz KEYVGTDBZUAWGA-RXVVDRJESA-N 2 1 374.529 0.766 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440305 1171035301 /nfs/dbraw/zinc/03/53/01/1171035301.db2.gz KEYVGTDBZUAWGA-RXVVDRJESA-N 2 1 374.529 0.766 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440305 1171035311 /nfs/dbraw/zinc/03/53/11/1171035311.db2.gz KEYVGTDBZUAWGA-RXVVDRJESA-N 2 1 374.529 0.766 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000891930008 1171090157 /nfs/dbraw/zinc/09/01/57/1171090157.db2.gz UKSBSGUVMIJERU-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000891930008 1171090165 /nfs/dbraw/zinc/09/01/65/1171090165.db2.gz UKSBSGUVMIJERU-DLBZAZTESA-N 2 1 365.522 0.855 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001691374900 1171223713 /nfs/dbraw/zinc/22/37/13/1171223713.db2.gz TWLUEFYNARMHMH-WBVHZDCISA-N 2 1 366.506 0.204 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001691378841 1171235803 /nfs/dbraw/zinc/23/58/03/1171235803.db2.gz RBROZMGQSWBFRC-KFWWJZLASA-N 2 1 369.510 0.389 20 0 FCADMP Cc1cc(C)n(CCN2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455399 1192477713 /nfs/dbraw/zinc/47/77/13/1192477713.db2.gz BKIOKXVZSVAUMA-KURKYZTESA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455399 1192477720 /nfs/dbraw/zinc/47/77/20/1192477720.db2.gz BKIOKXVZSVAUMA-KURKYZTESA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455399 1192477726 /nfs/dbraw/zinc/47/77/26/1192477726.db2.gz BKIOKXVZSVAUMA-KURKYZTESA-N 2 1 363.506 0.534 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)n1 ZINC001083455399 1192477729 /nfs/dbraw/zinc/47/77/29/1192477729.db2.gz BKIOKXVZSVAUMA-KURKYZTESA-N 2 1 363.506 0.534 20 0 FCADMP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892232336 1171781983 /nfs/dbraw/zinc/78/19/83/1171781983.db2.gz DJQLYEAZPKYAKX-SFHVURJKSA-N 2 1 367.538 0.472 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000892262631 1171844854 /nfs/dbraw/zinc/84/48/54/1171844854.db2.gz DPMAXYBYLVBDSK-WBVHZDCISA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237734 1171876454 /nfs/dbraw/zinc/87/64/54/1171876454.db2.gz RBLIFAHDZZGWFL-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237734 1171876455 /nfs/dbraw/zinc/87/64/55/1171876455.db2.gz RBLIFAHDZZGWFL-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237734 1171876457 /nfs/dbraw/zinc/87/64/57/1171876457.db2.gz RBLIFAHDZZGWFL-BRWVUGGUSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001088619163 1192488464 /nfs/dbraw/zinc/48/84/64/1192488464.db2.gz AIMYDEMWZUYFBR-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(=O)N(C)C ZINC001088619163 1192488470 /nfs/dbraw/zinc/48/84/70/1192488470.db2.gz AIMYDEMWZUYFBR-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(=O)N(C)C ZINC001088619163 1192488473 /nfs/dbraw/zinc/48/84/73/1192488473.db2.gz AIMYDEMWZUYFBR-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(=O)N(C)C ZINC001088619163 1192488477 /nfs/dbraw/zinc/48/84/77/1192488477.db2.gz AIMYDEMWZUYFBR-HYVNUMGLSA-N 2 1 366.506 0.297 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083247678 1172002982 /nfs/dbraw/zinc/00/29/82/1172002982.db2.gz AGOFCJKKEUUMLR-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083247678 1172002994 /nfs/dbraw/zinc/00/29/94/1172002994.db2.gz AGOFCJKKEUUMLR-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083247678 1172003004 /nfs/dbraw/zinc/00/30/04/1172003004.db2.gz AGOFCJKKEUUMLR-RYQLBKOJSA-N 2 1 361.490 0.216 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211557282 1172067094 /nfs/dbraw/zinc/06/70/94/1172067094.db2.gz KMLIRPYDZHPXGS-OTWHNJEPSA-N 2 1 361.486 0.674 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211557521 1172071452 /nfs/dbraw/zinc/07/14/52/1172071452.db2.gz UQAUVKYDHAQTGL-IPMKNSEASA-N 2 1 370.497 0.943 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211557642 1172075179 /nfs/dbraw/zinc/07/51/79/1172075179.db2.gz ZFEBZFWCMOXAIJ-RCCFBDPRSA-N 2 1 358.486 0.753 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000989065709 1192669651 /nfs/dbraw/zinc/66/96/51/1192669651.db2.gz RYQJKHXETNFCEH-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000897560373 1192810127 /nfs/dbraw/zinc/81/01/27/1192810127.db2.gz SABNTBVMFSHRHE-GJZGRUSLSA-N 2 1 357.458 0.472 20 0 FCADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688461 1192821549 /nfs/dbraw/zinc/82/15/49/1192821549.db2.gz LZZQPQLJEALPPH-PBHICJAKSA-N 2 1 370.457 0.861 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1CC1 ZINC000897632331 1192838255 /nfs/dbraw/zinc/83/82/55/1192838255.db2.gz MYZQHIKNZMMIEO-HNNXBMFYSA-N 2 1 359.474 0.719 20 0 FCADMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000842035262 1192861200 /nfs/dbraw/zinc/86/12/00/1192861200.db2.gz JVXPUMXEELRGLD-OLZOCXBDSA-N 2 1 356.430 0.401 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547590 1192868526 /nfs/dbraw/zinc/86/85/26/1192868526.db2.gz HXJTVNVFKQCKJR-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547590 1192868529 /nfs/dbraw/zinc/86/85/29/1192868529.db2.gz HXJTVNVFKQCKJR-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547590 1192868530 /nfs/dbraw/zinc/86/85/30/1192868530.db2.gz HXJTVNVFKQCKJR-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547590 1192868532 /nfs/dbraw/zinc/86/85/32/1192868532.db2.gz HXJTVNVFKQCKJR-SQNIBIBYSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547589 1192868577 /nfs/dbraw/zinc/86/85/77/1192868577.db2.gz HXJTVNVFKQCKJR-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547589 1192868579 /nfs/dbraw/zinc/86/85/79/1192868579.db2.gz HXJTVNVFKQCKJR-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547589 1192868580 /nfs/dbraw/zinc/86/85/80/1192868580.db2.gz HXJTVNVFKQCKJR-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001691547589 1192868581 /nfs/dbraw/zinc/86/85/81/1192868581.db2.gz HXJTVNVFKQCKJR-FGTMMUONSA-N 2 1 351.491 0.524 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001075943485 1192870717 /nfs/dbraw/zinc/87/07/17/1192870717.db2.gz SLNGRTQTFHBRQX-BZZMCLGOSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001075943485 1192870720 /nfs/dbraw/zinc/87/07/20/1192870720.db2.gz SLNGRTQTFHBRQX-BZZMCLGOSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001075943485 1192870723 /nfs/dbraw/zinc/87/07/23/1192870723.db2.gz SLNGRTQTFHBRQX-BZZMCLGOSA-N 2 1 374.485 0.137 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)O1 ZINC001075943485 1192870726 /nfs/dbraw/zinc/87/07/26/1192870726.db2.gz SLNGRTQTFHBRQX-BZZMCLGOSA-N 2 1 374.485 0.137 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562496 1192879025 /nfs/dbraw/zinc/87/90/25/1192879025.db2.gz ZMNUXBUWEBLUHG-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562496 1192879026 /nfs/dbraw/zinc/87/90/26/1192879026.db2.gz ZMNUXBUWEBLUHG-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001691562496 1192879028 /nfs/dbraw/zinc/87/90/28/1192879028.db2.gz ZMNUXBUWEBLUHG-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001691570389 1192887033 /nfs/dbraw/zinc/88/70/33/1192887033.db2.gz DMTLZNZTXGVLEF-SJORKVTESA-N 2 1 350.507 0.731 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001087236782 1179071444 /nfs/dbraw/zinc/07/14/44/1179071444.db2.gz LEHQRZHGXBPUNR-ILXRZTDVSA-N 2 1 361.494 0.584 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691441103 1179077713 /nfs/dbraw/zinc/07/77/13/1179077713.db2.gz YPTWIDTXKWJVLF-ARILJUKYSA-N 2 1 367.494 0.045 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC001067487772 1179288618 /nfs/dbraw/zinc/28/86/18/1179288618.db2.gz WVHRZVWYWVFRBP-KBAYOESNSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001087246295 1179976437 /nfs/dbraw/zinc/97/64/37/1179976437.db2.gz IJQFLSUUABVKQE-PMPSAXMXSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001087246295 1179976449 /nfs/dbraw/zinc/97/64/49/1179976449.db2.gz IJQFLSUUABVKQE-PMPSAXMXSA-N 2 1 366.485 0.916 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001023705603 1180128071 /nfs/dbraw/zinc/12/80/71/1180128071.db2.gz ACDOXVMUYWAMKT-BZUAXINKSA-N 2 1 366.506 0.031 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC000972672013 1180252596 /nfs/dbraw/zinc/25/25/96/1180252596.db2.gz OESRKQBDYGYSHU-NUJGCVRESA-N 2 1 361.490 0.837 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024038819 1180805992 /nfs/dbraw/zinc/80/59/92/1180805992.db2.gz LCYDLTROVQUGAT-SOLBZPMBSA-N 2 1 363.506 0.950 20 0 FCADMP CCn1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024038819 1180805993 /nfs/dbraw/zinc/80/59/93/1180805993.db2.gz LCYDLTROVQUGAT-SOLBZPMBSA-N 2 1 363.506 0.950 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001024448386 1181181140 /nfs/dbraw/zinc/18/11/40/1181181140.db2.gz LNWFOVBHLWJUFM-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024448386 1181181143 /nfs/dbraw/zinc/18/11/43/1181181143.db2.gz LNWFOVBHLWJUFM-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001024448386 1181181145 /nfs/dbraw/zinc/18/11/45/1181181145.db2.gz LNWFOVBHLWJUFM-IXDOHACOSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001024499758 1181249923 /nfs/dbraw/zinc/24/99/23/1181249923.db2.gz VRQNJOWGTKWYDF-IXDOHACOSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCc2ccnn2C)O1 ZINC001024507278 1181263589 /nfs/dbraw/zinc/26/35/89/1181263589.db2.gz VHOQBDUHUXOIMH-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCc2ccnn2C)O1 ZINC001024507278 1181263592 /nfs/dbraw/zinc/26/35/92/1181263592.db2.gz VHOQBDUHUXOIMH-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCc2ccnn2C)O1 ZINC001024507278 1181263598 /nfs/dbraw/zinc/26/35/98/1181263598.db2.gz VHOQBDUHUXOIMH-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCc2ccnn2C)O1 ZINC001024507278 1181263602 /nfs/dbraw/zinc/26/36/02/1181263602.db2.gz VHOQBDUHUXOIMH-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939783 1181545706 /nfs/dbraw/zinc/54/57/06/1181545706.db2.gz SCADWLHMMNRDMA-FCEWJHQRSA-N 2 1 368.522 0.579 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274262 1181749089 /nfs/dbraw/zinc/74/90/89/1181749089.db2.gz DWDHXDBSTIVRKY-CEXWTWQISA-N 2 1 359.470 0.542 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274262 1181749092 /nfs/dbraw/zinc/74/90/92/1181749092.db2.gz DWDHXDBSTIVRKY-CEXWTWQISA-N 2 1 359.470 0.542 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274262 1181749098 /nfs/dbraw/zinc/74/90/98/1181749098.db2.gz DWDHXDBSTIVRKY-CEXWTWQISA-N 2 1 359.470 0.542 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@@H]32)C1 ZINC001083274262 1181749104 /nfs/dbraw/zinc/74/91/04/1181749104.db2.gz DWDHXDBSTIVRKY-CEXWTWQISA-N 2 1 359.470 0.542 20 0 FCADMP C[NH+](C)C1(C)CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000892533193 1181760384 /nfs/dbraw/zinc/76/03/84/1181760384.db2.gz SJMFAZLDIAPLJF-WUJZJPHMSA-N 2 1 365.522 0.855 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083274725 1181760648 /nfs/dbraw/zinc/76/06/48/1181760648.db2.gz XHNRAVQFGUWKEJ-HRCADAONSA-N 2 1 363.462 0.174 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083274725 1181760658 /nfs/dbraw/zinc/76/06/58/1181760658.db2.gz XHNRAVQFGUWKEJ-HRCADAONSA-N 2 1 363.462 0.174 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274725 1181760670 /nfs/dbraw/zinc/76/06/70/1181760670.db2.gz XHNRAVQFGUWKEJ-HRCADAONSA-N 2 1 363.462 0.174 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274725 1181760680 /nfs/dbraw/zinc/76/06/80/1181760680.db2.gz XHNRAVQFGUWKEJ-HRCADAONSA-N 2 1 363.462 0.174 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274827 1181776920 /nfs/dbraw/zinc/77/69/20/1181776920.db2.gz BEQRDLFDMMOBAC-FHLIZLRMSA-N 2 1 371.441 0.586 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274827 1181776922 /nfs/dbraw/zinc/77/69/22/1181776922.db2.gz BEQRDLFDMMOBAC-FHLIZLRMSA-N 2 1 371.441 0.586 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274827 1181776926 /nfs/dbraw/zinc/77/69/26/1181776926.db2.gz BEQRDLFDMMOBAC-FHLIZLRMSA-N 2 1 371.441 0.586 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@@H]32)C1 ZINC001083274827 1181776930 /nfs/dbraw/zinc/77/69/30/1181776930.db2.gz BEQRDLFDMMOBAC-FHLIZLRMSA-N 2 1 371.441 0.586 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274962 1181777483 /nfs/dbraw/zinc/77/74/83/1181777483.db2.gz IXXSBRQRGHFBRX-NZSAHSFTSA-N 2 1 359.470 0.929 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274962 1181777488 /nfs/dbraw/zinc/77/74/88/1181777488.db2.gz IXXSBRQRGHFBRX-NZSAHSFTSA-N 2 1 359.470 0.929 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274962 1181777493 /nfs/dbraw/zinc/77/74/93/1181777493.db2.gz IXXSBRQRGHFBRX-NZSAHSFTSA-N 2 1 359.470 0.929 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOc4ccccc4)C[C@@H]32)C1 ZINC001083274962 1181777495 /nfs/dbraw/zinc/77/74/95/1181777495.db2.gz IXXSBRQRGHFBRX-NZSAHSFTSA-N 2 1 359.470 0.929 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)C[C@H]32)CC1 ZINC000972990372 1181851507 /nfs/dbraw/zinc/85/15/07/1181851507.db2.gz VRQUTDAQYYHLBX-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104589305 1182256592 /nfs/dbraw/zinc/25/65/92/1182256592.db2.gz WLHKTDRMUBNTGL-FXUDXRNXSA-N 2 1 363.510 0.515 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892685590 1182277083 /nfs/dbraw/zinc/27/70/83/1182277083.db2.gz ALTUVSSKWARCSB-MSOLQXFVSA-N 2 1 368.522 0.728 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000892784574 1182503679 /nfs/dbraw/zinc/50/36/79/1182503679.db2.gz ITYYYQTZJHCPCB-DLBZAZTESA-N 2 1 366.506 0.651 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792916 1182844526 /nfs/dbraw/zinc/84/45/26/1182844526.db2.gz KSJJFRGBCJISOJ-WJQMWINMSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025792916 1182844531 /nfs/dbraw/zinc/84/45/31/1182844531.db2.gz KSJJFRGBCJISOJ-WJQMWINMSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025792916 1182844533 /nfs/dbraw/zinc/84/45/33/1182844533.db2.gz KSJJFRGBCJISOJ-WJQMWINMSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC[C@@H]4C)C[C@H]32)CC[N@H+]1C ZINC001025793293 1182845192 /nfs/dbraw/zinc/84/51/92/1182845192.db2.gz DIFDGGPZDMRGFS-CFIJBQEISA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC[C@@H]4C)C[C@H]32)CC[NH+]1C ZINC001025793293 1182845196 /nfs/dbraw/zinc/84/51/96/1182845196.db2.gz DIFDGGPZDMRGFS-CFIJBQEISA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC[C@@H]4C)C[C@H]32)CC[NH+]1C ZINC001025793293 1182845198 /nfs/dbraw/zinc/84/51/98/1182845198.db2.gz DIFDGGPZDMRGFS-CFIJBQEISA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104908445 1182990878 /nfs/dbraw/zinc/99/08/78/1182990878.db2.gz XHXFWUULVJVMOC-QLFBSQMISA-N 2 1 364.494 0.024 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104938665 1183012407 /nfs/dbraw/zinc/01/24/07/1183012407.db2.gz AIVDRJPHFBWVOB-KZNAEPCWSA-N 2 1 365.522 0.660 20 0 FCADMP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064542 1183097980 /nfs/dbraw/zinc/09/79/80/1183097980.db2.gz VPOGXPIDSVBGJY-IAGOWNOFSA-N 2 1 370.538 0.554 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001105067198 1183100100 /nfs/dbraw/zinc/10/01/00/1183100100.db2.gz REDNXEAJPMTFAC-HZPDHXFCSA-N 2 1 366.506 0.550 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066907 1183101302 /nfs/dbraw/zinc/10/13/02/1183101302.db2.gz GBRVVMDLTKXYLA-RBSFLKMASA-N 2 1 369.510 0.245 20 0 FCADMP CCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268469 1183167477 /nfs/dbraw/zinc/16/74/77/1183167477.db2.gz OVCSRTGCOKMTDK-RHSMWYFYSA-N 2 1 364.494 0.660 20 0 FCADMP CCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268469 1183167490 /nfs/dbraw/zinc/16/74/90/1183167490.db2.gz OVCSRTGCOKMTDK-RHSMWYFYSA-N 2 1 364.494 0.660 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC000974525877 1183298758 /nfs/dbraw/zinc/29/87/58/1183298758.db2.gz FVOKSMIKBVUBOO-UWWQBHOKSA-N 2 1 367.453 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)CC[N@@H+]1C ZINC000974545410 1183326694 /nfs/dbraw/zinc/32/66/94/1183326694.db2.gz SZULGRSGHWUJBN-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)CC[N@H+]1C ZINC000974545410 1183326702 /nfs/dbraw/zinc/32/67/02/1183326702.db2.gz SZULGRSGHWUJBN-XMTFNYHQSA-N 2 1 373.501 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000974545883 1183328418 /nfs/dbraw/zinc/32/84/18/1183328418.db2.gz VZZAUGPRCYWZPP-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000974545883 1183328423 /nfs/dbraw/zinc/32/84/23/1183328423.db2.gz VZZAUGPRCYWZPP-NVXWUHKLSA-N 2 1 359.474 0.735 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974589197 1183355778 /nfs/dbraw/zinc/35/57/78/1183355778.db2.gz DONXPXFESOPZGE-BRWVUGGUSA-N 2 1 360.502 0.626 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001026916250 1183490550 /nfs/dbraw/zinc/49/05/50/1183490550.db2.gz FWLQDJUMHFUDJP-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001026916250 1183490551 /nfs/dbraw/zinc/49/05/51/1183490551.db2.gz FWLQDJUMHFUDJP-HYVNUMGLSA-N 2 1 362.474 0.043 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975717986 1185635260 /nfs/dbraw/zinc/63/52/60/1185635260.db2.gz BEVQMZIJDLRIAE-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975717986 1185635265 /nfs/dbraw/zinc/63/52/65/1185635265.db2.gz BEVQMZIJDLRIAE-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975717986 1185635276 /nfs/dbraw/zinc/63/52/76/1185635276.db2.gz BEVQMZIJDLRIAE-ULQDDVLXSA-N 2 1 359.474 0.593 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760537 1185732069 /nfs/dbraw/zinc/73/20/69/1185732069.db2.gz KMHPGNHRERHXJV-BBWFWOEESA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000975810690 1185814499 /nfs/dbraw/zinc/81/44/99/1185814499.db2.gz GJXWMJNXNUXPID-IRXDYDNUSA-N 2 1 359.474 0.737 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1)[NH+](C)C ZINC000975819672 1185818008 /nfs/dbraw/zinc/81/80/08/1185818008.db2.gz HIJIOCGOUMUVHJ-ULQDDVLXSA-N 2 1 361.490 0.981 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530413 1186132908 /nfs/dbraw/zinc/13/29/08/1186132908.db2.gz SUNYBUSUECJEEC-ZWOKBUDYSA-N 2 1 367.534 0.944 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001691496100 1186211664 /nfs/dbraw/zinc/21/16/64/1186211664.db2.gz KPQFZARODAFECU-UONOGXRCSA-N 2 1 369.510 0.532 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001691496100 1186211672 /nfs/dbraw/zinc/21/16/72/1186211672.db2.gz KPQFZARODAFECU-UONOGXRCSA-N 2 1 369.510 0.532 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC000981778532 1186519332 /nfs/dbraw/zinc/51/93/32/1186519332.db2.gz LIAJZRVJZFPCLQ-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N2CCC2)C3)CC[N@@H+]1C ZINC000981778532 1186519335 /nfs/dbraw/zinc/51/93/35/1186519335.db2.gz LIAJZRVJZFPCLQ-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC000981778532 1186519341 /nfs/dbraw/zinc/51/93/41/1186519341.db2.gz LIAJZRVJZFPCLQ-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC000981778532 1186519343 /nfs/dbraw/zinc/51/93/43/1186519343.db2.gz LIAJZRVJZFPCLQ-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC000981778532 1186519347 /nfs/dbraw/zinc/51/93/47/1186519347.db2.gz LIAJZRVJZFPCLQ-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cn(CC4CC4)nn3)C2)CC[N@@H+]1C ZINC001028550185 1187602510 /nfs/dbraw/zinc/60/25/10/1187602510.db2.gz JYOCBARXZZCCTN-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cn(CC4CC4)nn3)C2)CC[N@H+]1C ZINC001028550185 1187602512 /nfs/dbraw/zinc/60/25/12/1187602512.db2.gz JYOCBARXZZCCTN-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)CC[NH+]1C ZINC001028550185 1187602514 /nfs/dbraw/zinc/60/25/14/1187602514.db2.gz JYOCBARXZZCCTN-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)CC[NH+]1C ZINC001028550185 1187602516 /nfs/dbraw/zinc/60/25/16/1187602516.db2.gz JYOCBARXZZCCTN-QGPMSJSTSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cn(CC4CC4)nn3)C2)CC[N@@H+]1C ZINC001028550186 1187602845 /nfs/dbraw/zinc/60/28/45/1187602845.db2.gz JYOCBARXZZCCTN-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cn(CC4CC4)nn3)C2)CC[N@H+]1C ZINC001028550186 1187602849 /nfs/dbraw/zinc/60/28/49/1187602849.db2.gz JYOCBARXZZCCTN-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)CC[NH+]1C ZINC001028550186 1187602853 /nfs/dbraw/zinc/60/28/53/1187602853.db2.gz JYOCBARXZZCCTN-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)CC[NH+]1C ZINC001028550186 1187602857 /nfs/dbraw/zinc/60/28/57/1187602857.db2.gz JYOCBARXZZCCTN-UWWQBHOKSA-N 2 1 360.506 0.966 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102274 1187617752 /nfs/dbraw/zinc/61/77/52/1187617752.db2.gz JJJOWINDWQZENT-NILFDRSVSA-N 2 1 364.494 0.647 20 0 FCADMP COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372383 1187693190 /nfs/dbraw/zinc/69/31/90/1187693190.db2.gz NRPSJZBIDDXEOJ-KURKYZTESA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372383 1187693192 /nfs/dbraw/zinc/69/31/92/1187693192.db2.gz NRPSJZBIDDXEOJ-KURKYZTESA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372383 1187693196 /nfs/dbraw/zinc/69/31/96/1187693196.db2.gz NRPSJZBIDDXEOJ-KURKYZTESA-N 2 1 361.486 0.883 20 0 FCADMP COc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372383 1187693201 /nfs/dbraw/zinc/69/32/01/1187693201.db2.gz NRPSJZBIDDXEOJ-KURKYZTESA-N 2 1 361.486 0.883 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627402 1187756210 /nfs/dbraw/zinc/75/62/10/1187756210.db2.gz CUASHMKSCCWCBM-VNQPRFMTSA-N 2 1 365.478 0.468 20 0 FCADMP Cc1noc(CCC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627402 1187756215 /nfs/dbraw/zinc/75/62/15/1187756215.db2.gz CUASHMKSCCWCBM-VNQPRFMTSA-N 2 1 365.478 0.468 20 0 FCADMP Cc1noc(CCC[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627402 1187756216 /nfs/dbraw/zinc/75/62/16/1187756216.db2.gz CUASHMKSCCWCBM-VNQPRFMTSA-N 2 1 365.478 0.468 20 0 FCADMP Cc1noc(CCC[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627402 1187756223 /nfs/dbraw/zinc/75/62/23/1187756223.db2.gz CUASHMKSCCWCBM-VNQPRFMTSA-N 2 1 365.478 0.468 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)c1 ZINC000420158929 1187799996 /nfs/dbraw/zinc/79/99/96/1187799996.db2.gz HKJBTUPDWAYQGS-INIZCTEOSA-N 2 1 373.501 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000983016247 1187815956 /nfs/dbraw/zinc/81/59/56/1187815956.db2.gz STPYDASXBIQSCL-YESZJQIVSA-N 2 1 362.518 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CCn3ccnc3)C2)CC[N@H+]1C ZINC000983032793 1187817538 /nfs/dbraw/zinc/81/75/38/1187817538.db2.gz KVVOHZARJXNYOR-YESZJQIVSA-N 2 1 361.490 0.968 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001269415650 1187847195 /nfs/dbraw/zinc/84/71/95/1187847195.db2.gz HQPXKSSWZLYXPX-ZIAGYGMSSA-N 2 1 362.478 0.544 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001270175951 1188040823 /nfs/dbraw/zinc/04/08/23/1188040823.db2.gz PWVDWUDCMGFLCN-HXUWFJFHSA-N 2 1 367.534 0.920 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001270175951 1188040827 /nfs/dbraw/zinc/04/08/27/1188040827.db2.gz PWVDWUDCMGFLCN-HXUWFJFHSA-N 2 1 367.534 0.920 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C[C@H]21 ZINC001270273637 1188073720 /nfs/dbraw/zinc/07/37/20/1188073720.db2.gz YZGLJYSCHXDCCJ-CVEARBPZSA-N 2 1 358.446 0.232 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)[C@H]2CCCc3c[nH+]cn32)C1=O ZINC001270286183 1188080007 /nfs/dbraw/zinc/08/00/07/1188080007.db2.gz GSGJMNXCCKXPBX-VQIMIIECSA-N 2 1 359.474 0.916 20 0 FCADMP CCCn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000983713443 1188280443 /nfs/dbraw/zinc/28/04/43/1188280443.db2.gz KVUCZSZLXYSJKE-YHUYYLMFSA-N 2 1 363.510 0.798 20 0 FCADMP C[C@@H]([NH2+]Cc1cnn(C)n1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111683 1188293133 /nfs/dbraw/zinc/29/31/33/1188293133.db2.gz MRPWNPWHTHCCFA-CKEIUWERSA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000983805269 1188348433 /nfs/dbraw/zinc/34/84/33/1188348433.db2.gz JXIQMEZWIBJKGJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000983805269 1188348434 /nfs/dbraw/zinc/34/84/34/1188348434.db2.gz JXIQMEZWIBJKGJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983809993 1188349221 /nfs/dbraw/zinc/34/92/21/1188349221.db2.gz XIVDIWRIOCSYHV-ZACQAIPSSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000983917423 1188395795 /nfs/dbraw/zinc/39/57/95/1188395795.db2.gz IZRRTRWIDLSNLM-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000983917423 1188395802 /nfs/dbraw/zinc/39/58/02/1188395802.db2.gz IZRRTRWIDLSNLM-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793564 1188403011 /nfs/dbraw/zinc/40/30/11/1188403011.db2.gz JLJCOLMGUXZVEP-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793564 1188403015 /nfs/dbraw/zinc/40/30/15/1188403015.db2.gz JLJCOLMGUXZVEP-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793564 1188403019 /nfs/dbraw/zinc/40/30/19/1188403019.db2.gz JLJCOLMGUXZVEP-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793564 1188403023 /nfs/dbraw/zinc/40/30/23/1188403023.db2.gz JLJCOLMGUXZVEP-XYJFISCASA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528996 1189383282 /nfs/dbraw/zinc/38/32/82/1189383282.db2.gz LICMCQWMVFLFKN-BBWFWOEESA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528996 1189383286 /nfs/dbraw/zinc/38/32/86/1189383286.db2.gz LICMCQWMVFLFKN-BBWFWOEESA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528996 1189383290 /nfs/dbraw/zinc/38/32/90/1189383290.db2.gz LICMCQWMVFLFKN-BBWFWOEESA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccn(C)c(=O)c1 ZINC001087528996 1189383301 /nfs/dbraw/zinc/38/33/01/1189383301.db2.gz LICMCQWMVFLFKN-BBWFWOEESA-N 2 1 362.474 0.185 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550455409 1189489399 /nfs/dbraw/zinc/48/93/99/1189489399.db2.gz KIVRJRYSGSASKH-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550455409 1189489408 /nfs/dbraw/zinc/48/94/08/1189489408.db2.gz KIVRJRYSGSASKH-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550455409 1189489421 /nfs/dbraw/zinc/48/94/21/1189489421.db2.gz KIVRJRYSGSASKH-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001075813676 1189599878 /nfs/dbraw/zinc/59/98/78/1189599878.db2.gz TVHWOTNZVKHQMC-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001075813676 1189599903 /nfs/dbraw/zinc/59/99/03/1189599903.db2.gz TVHWOTNZVKHQMC-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001075813676 1189599918 /nfs/dbraw/zinc/59/99/18/1189599918.db2.gz TVHWOTNZVKHQMC-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC[NH+]1C ZINC001075813676 1189599928 /nfs/dbraw/zinc/59/99/28/1189599928.db2.gz TVHWOTNZVKHQMC-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCN1CCNC1=O ZINC001087570005 1189605043 /nfs/dbraw/zinc/60/50/43/1189605043.db2.gz WRBFUMJDIPDKNK-BBWFWOEESA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCN1CCNC1=O ZINC001087570005 1189605071 /nfs/dbraw/zinc/60/50/71/1189605071.db2.gz WRBFUMJDIPDKNK-BBWFWOEESA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCN1CCNC1=O ZINC001087570005 1189605081 /nfs/dbraw/zinc/60/50/81/1189605081.db2.gz WRBFUMJDIPDKNK-BBWFWOEESA-N 2 1 365.522 0.854 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CC(=O)Nc1cnccn1 ZINC001087578088 1189617882 /nfs/dbraw/zinc/61/78/82/1189617882.db2.gz ZYYPHMYLDRMUQV-LVQVYYBASA-N 2 1 374.489 0.724 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCc1ccnn1C ZINC001087622638 1189672682 /nfs/dbraw/zinc/67/26/82/1189672682.db2.gz YLRNIOLWJPYTPJ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCc1ccnn1C ZINC001087622638 1189672697 /nfs/dbraw/zinc/67/26/97/1189672697.db2.gz YLRNIOLWJPYTPJ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCc1ccnn1C ZINC001087622638 1189672715 /nfs/dbraw/zinc/67/27/15/1189672715.db2.gz YLRNIOLWJPYTPJ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCc1ccnn1C ZINC001087622638 1189672724 /nfs/dbraw/zinc/67/27/24/1189672724.db2.gz YLRNIOLWJPYTPJ-BZZMCLGOSA-N 2 1 363.506 0.651 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087725136 1189803252 /nfs/dbraw/zinc/80/32/52/1189803252.db2.gz DNLJEMFIJMHZKN-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087725136 1189803253 /nfs/dbraw/zinc/80/32/53/1189803253.db2.gz DNLJEMFIJMHZKN-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087725136 1189803256 /nfs/dbraw/zinc/80/32/56/1189803256.db2.gz DNLJEMFIJMHZKN-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087725136 1189803259 /nfs/dbraw/zinc/80/32/59/1189803259.db2.gz DNLJEMFIJMHZKN-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001271142860 1189813824 /nfs/dbraw/zinc/81/38/24/1189813824.db2.gz GRSJEWXECKSXID-VQIMIIECSA-N 2 1 359.474 0.818 20 0 FCADMP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1)N1CCC1 ZINC001087968845 1190028856 /nfs/dbraw/zinc/02/88/56/1190028856.db2.gz NRMZKNKFWCAPDD-FGTMMUONSA-N 2 1 360.502 0.341 20 0 FCADMP C[C@H]1CC[NH+](CCNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000896469090 1190064365 /nfs/dbraw/zinc/06/43/65/1190064365.db2.gz UWCIXMDFVYEOOW-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993219 1190144190 /nfs/dbraw/zinc/14/41/90/1190144190.db2.gz FODUDJIBCDXJNQ-ZIFCJYIRSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994840 1190148759 /nfs/dbraw/zinc/14/87/59/1190148759.db2.gz FSHLWCSXWNKBNL-CVEARBPZSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994840 1190148760 /nfs/dbraw/zinc/14/87/60/1190148760.db2.gz FSHLWCSXWNKBNL-CVEARBPZSA-N 2 1 363.506 0.276 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994840 1190148763 /nfs/dbraw/zinc/14/87/63/1190148763.db2.gz FSHLWCSXWNKBNL-CVEARBPZSA-N 2 1 363.506 0.276 20 0 FCADMP O=C([C@H]1CCc2nccn2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018578 1190231545 /nfs/dbraw/zinc/23/15/45/1190231545.db2.gz CVIQKLBEACFHNB-IKGGRYGDSA-N 2 1 369.473 0.518 20 0 FCADMP CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000985830198 1190827991 /nfs/dbraw/zinc/82/79/91/1190827991.db2.gz YRECPOWWLGZYFM-IAGOWNOFSA-N 2 1 365.522 0.618 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985831717 1190828519 /nfs/dbraw/zinc/82/85/19/1190828519.db2.gz YPARPYYBYXNDHM-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985831717 1190828520 /nfs/dbraw/zinc/82/85/20/1190828520.db2.gz YPARPYYBYXNDHM-IKGGRYGDSA-N 2 1 359.474 0.593 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132858 1190902883 /nfs/dbraw/zinc/90/28/83/1190902883.db2.gz IKJVAIRZQJTDFO-ZACQAIPSSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986137547 1190903838 /nfs/dbraw/zinc/90/38/38/1190903838.db2.gz RPJWCOQVDHXQOV-SJORKVTESA-N 2 1 359.474 0.594 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257736 1190933512 /nfs/dbraw/zinc/93/35/12/1190933512.db2.gz BKJWJQLYEGKYTE-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000986368140 1190971339 /nfs/dbraw/zinc/97/13/39/1190971339.db2.gz VWDLEINJRNUXDC-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1)[NH+](C)C ZINC000986404110 1190974491 /nfs/dbraw/zinc/97/44/91/1190974491.db2.gz UNRRJQDNXJHIFK-IXDOHACOSA-N 2 1 361.490 0.839 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1)[NH+](C)C ZINC000986426229 1190987538 /nfs/dbraw/zinc/98/75/38/1190987538.db2.gz YCLHRIGHNZCRLM-IKGGRYGDSA-N 2 1 361.490 0.839 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986428182 1190988246 /nfs/dbraw/zinc/98/82/46/1190988246.db2.gz OOOUSUYGTSWEMC-SJORKVTESA-N 2 1 371.485 0.594 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1 ZINC000986429627 1190988649 /nfs/dbraw/zinc/98/86/49/1190988649.db2.gz XRNMIJDZCKZLEZ-ZACQAIPSSA-N 2 1 360.502 0.341 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC001029973703 1191057222 /nfs/dbraw/zinc/05/72/22/1191057222.db2.gz LKVNDRNUKSLAMK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC001029973703 1191057224 /nfs/dbraw/zinc/05/72/24/1191057224.db2.gz LKVNDRNUKSLAMK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC001029973703 1191057225 /nfs/dbraw/zinc/05/72/25/1191057225.db2.gz LKVNDRNUKSLAMK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)[C@H]3CCCNC3=O)CC2)O1 ZINC001029973703 1191057227 /nfs/dbraw/zinc/05/72/27/1191057227.db2.gz LKVNDRNUKSLAMK-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)[C@@H]2C1)N1CCC1 ZINC001075882315 1191059253 /nfs/dbraw/zinc/05/92/53/1191059253.db2.gz GHDACIFUPSQOPS-HRCADAONSA-N 2 1 357.458 0.526 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNC(=O)Cn3ccnc3)C2)CC[N@H+]1C ZINC001059734650 1191071316 /nfs/dbraw/zinc/07/13/16/1191071316.db2.gz YOXPCEOMOTWSNG-YESZJQIVSA-N 2 1 361.490 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]3COC(C)(C)N3C(=O)C[NH3+])o2)C[C@H](C)O1 ZINC001217755781 1224125739 /nfs/dbraw/zinc/12/57/39/1224125739.db2.gz FGUWMNJYSVIFQU-XQQFMLRXSA-N 2 1 367.450 0.316 20 0 FCADMP C[C@@H]1C[N@H+](CCc2nnc([C@@H]3COC(C)(C)N3C(=O)C[NH3+])o2)C[C@H](C)O1 ZINC001217755781 1224125742 /nfs/dbraw/zinc/12/57/42/1224125742.db2.gz FGUWMNJYSVIFQU-XQQFMLRXSA-N 2 1 367.450 0.316 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574880 1191214636 /nfs/dbraw/zinc/21/46/36/1191214636.db2.gz WMHPCRAHYGDBPR-KBEGMRNHSA-N 2 1 366.506 0.058 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574880 1191214639 /nfs/dbraw/zinc/21/46/39/1191214639.db2.gz WMHPCRAHYGDBPR-KBEGMRNHSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1cc(C(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)n(-c2cc[nH+]cc2)n1 ZINC001276773323 1224143053 /nfs/dbraw/zinc/14/30/53/1224143053.db2.gz CUPKQBDQASQYJE-UHFFFAOYSA-N 2 1 354.458 0.895 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161984 1224144444 /nfs/dbraw/zinc/14/44/44/1224144444.db2.gz KGEHGECIGLVDRJ-XMTFNYHQSA-N 2 1 369.506 0.290 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161984 1224144448 /nfs/dbraw/zinc/14/44/48/1224144448.db2.gz KGEHGECIGLVDRJ-XMTFNYHQSA-N 2 1 369.506 0.290 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664865 1193729414 /nfs/dbraw/zinc/72/94/14/1193729414.db2.gz ZXXLOQNFCZSVAN-MJGOQNOKSA-N 2 1 370.497 0.714 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664865 1193729417 /nfs/dbraw/zinc/72/94/17/1193729417.db2.gz ZXXLOQNFCZSVAN-MJGOQNOKSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664865 1193729422 /nfs/dbraw/zinc/72/94/22/1193729422.db2.gz ZXXLOQNFCZSVAN-MJGOQNOKSA-N 2 1 370.497 0.714 20 0 FCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000550664865 1193729426 /nfs/dbraw/zinc/72/94/26/1193729426.db2.gz ZXXLOQNFCZSVAN-MJGOQNOKSA-N 2 1 370.497 0.714 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691581920 1193735384 /nfs/dbraw/zinc/73/53/84/1193735384.db2.gz IKNWFSNLFPINIS-BBWFWOEESA-N 2 1 352.523 0.975 20 0 FCADMP COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168319061 1193749938 /nfs/dbraw/zinc/74/99/38/1193749938.db2.gz NDPNBQOKIUGECF-KLAILNCOSA-N 2 1 363.506 0.950 20 0 FCADMP COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168319061 1193749941 /nfs/dbraw/zinc/74/99/41/1193749941.db2.gz NDPNBQOKIUGECF-KLAILNCOSA-N 2 1 363.506 0.950 20 0 FCADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)n1 ZINC001083465370 1193762075 /nfs/dbraw/zinc/76/20/75/1193762075.db2.gz BDEFHFKZWRGOKH-OTWHNJEPSA-N 2 1 358.486 0.702 20 0 FCADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)n1 ZINC001083465370 1193762079 /nfs/dbraw/zinc/76/20/79/1193762079.db2.gz BDEFHFKZWRGOKH-OTWHNJEPSA-N 2 1 358.486 0.702 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000550956522 1193822219 /nfs/dbraw/zinc/82/22/19/1193822219.db2.gz DZGLTRJCBUZLCM-QGZVFWFLSA-N 2 1 368.522 0.548 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000551111855 1193833273 /nfs/dbraw/zinc/83/32/73/1193833273.db2.gz PGWGJWYTNDCNGI-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000551111855 1193833276 /nfs/dbraw/zinc/83/32/76/1193833276.db2.gz PGWGJWYTNDCNGI-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[C@@H]1N(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655365 1193859991 /nfs/dbraw/zinc/85/99/91/1193859991.db2.gz HUNCOJLYUYGYOD-HBXLWWENSA-N 2 1 369.550 0.923 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152605872 1193890075 /nfs/dbraw/zinc/89/00/75/1193890075.db2.gz SAKONUVUMJZTQH-FUHWJXTLSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152605872 1193890076 /nfs/dbraw/zinc/89/00/76/1193890076.db2.gz SAKONUVUMJZTQH-FUHWJXTLSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3CO[C@]4(C3)CCC[NH2+]CC4)ncn2)CC1 ZINC001218571932 1224175393 /nfs/dbraw/zinc/17/53/93/1224175393.db2.gz CSNGEPDOOXOLAG-DNVCBOLYSA-N 2 1 374.489 0.716 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472401 1193901112 /nfs/dbraw/zinc/90/11/12/1193901112.db2.gz VVUJVEUBENAJCM-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472401 1193901120 /nfs/dbraw/zinc/90/11/20/1193901120.db2.gz VVUJVEUBENAJCM-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472401 1193901131 /nfs/dbraw/zinc/90/11/31/1193901131.db2.gz VVUJVEUBENAJCM-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083472401 1193901137 /nfs/dbraw/zinc/90/11/37/1193901137.db2.gz VVUJVEUBENAJCM-OWYHZJEWSA-N 2 1 361.486 0.875 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)cn2)CC1 ZINC001218580385 1224177101 /nfs/dbraw/zinc/17/71/01/1224177101.db2.gz PCWQIAQJYBEWPT-HNAYVOBHSA-N 2 1 374.489 0.716 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105668047 1193946582 /nfs/dbraw/zinc/94/65/82/1193946582.db2.gz HCJNIPAHPYKXAZ-OHDICMOHSA-N 2 1 368.522 0.040 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552750410 1193949844 /nfs/dbraw/zinc/94/98/44/1193949844.db2.gz XHFSBEGBOOSXAO-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000552884846 1193956480 /nfs/dbraw/zinc/95/64/80/1193956480.db2.gz NQCLIPLSDQWGKV-IRXDYDNUSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552884846 1193956483 /nfs/dbraw/zinc/95/64/83/1193956483.db2.gz NQCLIPLSDQWGKV-IRXDYDNUSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552884846 1193956487 /nfs/dbraw/zinc/95/64/87/1193956487.db2.gz NQCLIPLSDQWGKV-IRXDYDNUSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000552884844 1193956610 /nfs/dbraw/zinc/95/66/10/1193956610.db2.gz NQCLIPLSDQWGKV-DLBZAZTESA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552884844 1193956612 /nfs/dbraw/zinc/95/66/12/1193956612.db2.gz NQCLIPLSDQWGKV-DLBZAZTESA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000552884844 1193956613 /nfs/dbraw/zinc/95/66/13/1193956613.db2.gz NQCLIPLSDQWGKV-DLBZAZTESA-N 2 1 368.522 0.165 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000552969374 1193961889 /nfs/dbraw/zinc/96/18/89/1193961889.db2.gz JIHHNIDBDHMKFU-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552969374 1193961894 /nfs/dbraw/zinc/96/18/94/1193961894.db2.gz JIHHNIDBDHMKFU-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000552969374 1193961897 /nfs/dbraw/zinc/96/18/97/1193961897.db2.gz JIHHNIDBDHMKFU-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000553353450 1193991321 /nfs/dbraw/zinc/99/13/21/1193991321.db2.gz ABEZJXUJQMPXFU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000553353450 1193991325 /nfs/dbraw/zinc/99/13/25/1193991325.db2.gz ABEZJXUJQMPXFU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000553353450 1193991328 /nfs/dbraw/zinc/99/13/28/1193991328.db2.gz ABEZJXUJQMPXFU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000553353450 1193991336 /nfs/dbraw/zinc/99/13/36/1193991336.db2.gz ABEZJXUJQMPXFU-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000553619407 1194010610 /nfs/dbraw/zinc/01/06/10/1194010610.db2.gz LVISOMZGWXZJLI-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000553734978 1194018089 /nfs/dbraw/zinc/01/80/89/1194018089.db2.gz NRZBMFBVWXRRSP-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000553734978 1194018091 /nfs/dbraw/zinc/01/80/91/1194018091.db2.gz NRZBMFBVWXRRSP-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000553734978 1194018094 /nfs/dbraw/zinc/01/80/94/1194018094.db2.gz NRZBMFBVWXRRSP-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000898594620 1194048609 /nfs/dbraw/zinc/04/86/09/1194048609.db2.gz PVPHBEPXNNGTQJ-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898594620 1194048615 /nfs/dbraw/zinc/04/86/15/1194048615.db2.gz PVPHBEPXNNGTQJ-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898594620 1194048621 /nfs/dbraw/zinc/04/86/21/1194048621.db2.gz PVPHBEPXNNGTQJ-MRXNPFEDSA-N 2 1 365.522 0.666 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000898665610 1194059793 /nfs/dbraw/zinc/05/97/93/1194059793.db2.gz KFLTXMYAMLWUOR-HXUWFJFHSA-N 2 1 373.497 0.980 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191466 1194086292 /nfs/dbraw/zinc/08/62/92/1194086292.db2.gz XYTKZJBIMYEIBH-XLIONFOSSA-N 2 1 358.486 0.868 20 0 FCADMP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]c5c4CCCC5)[C@@H]3C2)C1=O ZINC001076051430 1194268830 /nfs/dbraw/zinc/26/88/30/1194268830.db2.gz UOJCDACIOUXBHV-JCGIZDLHSA-N 2 1 371.485 0.525 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]c5c4CCCC5)[C@@H]3C2)C1=O ZINC001076051430 1194268833 /nfs/dbraw/zinc/26/88/33/1194268833.db2.gz UOJCDACIOUXBHV-JCGIZDLHSA-N 2 1 371.485 0.525 20 0 FCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070447 1194291858 /nfs/dbraw/zinc/29/18/58/1194291858.db2.gz JUUNICOCKRATNZ-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070447 1194291861 /nfs/dbraw/zinc/29/18/61/1194291861.db2.gz JUUNICOCKRATNZ-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cncc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070447 1194291866 /nfs/dbraw/zinc/29/18/66/1194291866.db2.gz JUUNICOCKRATNZ-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cncc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070447 1194291868 /nfs/dbraw/zinc/29/18/68/1194291868.db2.gz JUUNICOCKRATNZ-SJFYGUSASA-N 2 1 371.485 0.316 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]21 ZINC001076070514 1194292288 /nfs/dbraw/zinc/29/22/88/1194292288.db2.gz MWPATDHUDLVHEU-KZIZELGASA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076070514 1194292295 /nfs/dbraw/zinc/29/22/95/1194292295.db2.gz MWPATDHUDLVHEU-KZIZELGASA-N 2 1 371.485 0.279 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076070514 1194292300 /nfs/dbraw/zinc/29/23/00/1194292300.db2.gz MWPATDHUDLVHEU-KZIZELGASA-N 2 1 371.485 0.279 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001076086114 1194298817 /nfs/dbraw/zinc/29/88/17/1194298817.db2.gz PYYQAMLOZXLBPS-SCTDSRPQSA-N 2 1 360.502 0.626 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001076086114 1194298821 /nfs/dbraw/zinc/29/88/21/1194298821.db2.gz PYYQAMLOZXLBPS-SCTDSRPQSA-N 2 1 360.502 0.626 20 0 FCADMP O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076107301 1194309271 /nfs/dbraw/zinc/30/92/71/1194309271.db2.gz PPNVOKAAOWZBCF-CGTJXYLNSA-N 2 1 371.485 0.959 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241227 1194362533 /nfs/dbraw/zinc/36/25/33/1194362533.db2.gz HNLQWJAHCGADEV-OWCLPIDISA-N 2 1 362.474 0.152 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241227 1194362535 /nfs/dbraw/zinc/36/25/35/1194362535.db2.gz HNLQWJAHCGADEV-OWCLPIDISA-N 2 1 362.474 0.152 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076241227 1194362537 /nfs/dbraw/zinc/36/25/37/1194362537.db2.gz HNLQWJAHCGADEV-OWCLPIDISA-N 2 1 362.474 0.152 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244351 1194370873 /nfs/dbraw/zinc/37/08/73/1194370873.db2.gz PKJUMFNSIDIGDR-XYJFISCASA-N 2 1 371.485 0.519 20 0 FCADMP Cc1ncc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244351 1194370879 /nfs/dbraw/zinc/37/08/79/1194370879.db2.gz PKJUMFNSIDIGDR-XYJFISCASA-N 2 1 371.485 0.519 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076309649 1194391895 /nfs/dbraw/zinc/39/18/95/1194391895.db2.gz XPQSAOGVLIVMOI-JKSUJKDBSA-N 2 1 357.462 0.831 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076309649 1194391899 /nfs/dbraw/zinc/39/18/99/1194391899.db2.gz XPQSAOGVLIVMOI-JKSUJKDBSA-N 2 1 357.462 0.831 20 0 FCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)CC1 ZINC001076398779 1194455196 /nfs/dbraw/zinc/45/51/96/1194455196.db2.gz FLXZCZVDJALADG-OKZBNKHCSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NC1CCCC1 ZINC001076467112 1194501236 /nfs/dbraw/zinc/50/12/36/1194501236.db2.gz DEFVFZOBUXTBDV-DOTOQJQBSA-N 2 1 360.502 0.674 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NC1CCCC1 ZINC001076467112 1194501245 /nfs/dbraw/zinc/50/12/45/1194501245.db2.gz DEFVFZOBUXTBDV-DOTOQJQBSA-N 2 1 360.502 0.674 20 0 FCADMP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826686 1224233798 /nfs/dbraw/zinc/23/37/98/1224233798.db2.gz XCCXCBGQPBPIIY-ZWKOTPCHSA-N 2 1 369.506 0.293 20 0 FCADMP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826686 1224233805 /nfs/dbraw/zinc/23/38/05/1224233805.db2.gz XCCXCBGQPBPIIY-ZWKOTPCHSA-N 2 1 369.506 0.293 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002952 1195138215 /nfs/dbraw/zinc/13/82/15/1195138215.db2.gz MZIFCTTWAJPJJI-IPMKNSEASA-N 2 1 365.518 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2O)CC[N@H+]1C ZINC001077023515 1195160674 /nfs/dbraw/zinc/16/06/74/1195160674.db2.gz DMTOCBRAAOPXDJ-UTRMSSBJSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)CC[NH+]1C ZINC001077023515 1195160677 /nfs/dbraw/zinc/16/06/77/1195160677.db2.gz DMTOCBRAAOPXDJ-UTRMSSBJSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@H]2O)CC[NH+]1C ZINC001077023515 1195160680 /nfs/dbraw/zinc/16/06/80/1195160680.db2.gz DMTOCBRAAOPXDJ-UTRMSSBJSA-N 2 1 360.502 0.754 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131746 1195247833 /nfs/dbraw/zinc/24/78/33/1195247833.db2.gz JLGMORXJGIAALS-KZNAEPCWSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131746 1195247839 /nfs/dbraw/zinc/24/78/39/1195247839.db2.gz JLGMORXJGIAALS-KZNAEPCWSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131746 1195247845 /nfs/dbraw/zinc/24/78/45/1195247845.db2.gz JLGMORXJGIAALS-KZNAEPCWSA-N 2 1 363.506 0.653 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131746 1195247848 /nfs/dbraw/zinc/24/78/48/1195247848.db2.gz JLGMORXJGIAALS-KZNAEPCWSA-N 2 1 363.506 0.653 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CCCC1 ZINC001077300171 1195399464 /nfs/dbraw/zinc/39/94/64/1195399464.db2.gz ZQLYISAQRLEBLW-KURKYZTESA-N 2 1 365.518 0.981 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366685 1195467238 /nfs/dbraw/zinc/46/72/38/1195467238.db2.gz VPAXHQADRCZONV-CGTJXYLNSA-N 2 1 371.441 0.611 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219004310 1224284030 /nfs/dbraw/zinc/28/40/30/1224284030.db2.gz FSXNDIZVMAAQBQ-YESZJQIVSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001077396307 1195496244 /nfs/dbraw/zinc/49/62/44/1195496244.db2.gz ZHUDTDOTCHNXER-IAGOWNOFSA-N 2 1 369.429 0.018 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001077396307 1195496245 /nfs/dbraw/zinc/49/62/45/1195496245.db2.gz ZHUDTDOTCHNXER-IAGOWNOFSA-N 2 1 369.429 0.018 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077399305 1195498605 /nfs/dbraw/zinc/49/86/05/1195498605.db2.gz CMQKSDBIENSKIC-SJLPKXTDSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077399305 1195498614 /nfs/dbraw/zinc/49/86/14/1195498614.db2.gz CMQKSDBIENSKIC-SJLPKXTDSA-N 2 1 362.474 0.350 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601941 1195665683 /nfs/dbraw/zinc/66/56/83/1195665683.db2.gz VHGJNOJIXANLAU-KURKYZTESA-N 2 1 359.470 0.510 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601941 1195665684 /nfs/dbraw/zinc/66/56/84/1195665684.db2.gz VHGJNOJIXANLAU-KURKYZTESA-N 2 1 359.470 0.510 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842939 1195849130 /nfs/dbraw/zinc/84/91/30/1195849130.db2.gz GSJHZGUWRAILHQ-UHFFFAOYSA-N 2 1 359.474 0.719 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000910829195 1195850547 /nfs/dbraw/zinc/85/05/47/1195850547.db2.gz OLQWIWPLNGTXBF-WBVHZDCISA-N 2 1 359.474 0.671 20 0 FCADMP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033730 1224308237 /nfs/dbraw/zinc/30/82/37/1224308237.db2.gz VBYRUNKXEARFCN-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033730 1224308242 /nfs/dbraw/zinc/30/82/42/1224308242.db2.gz VBYRUNKXEARFCN-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@H](C)C1 ZINC000911032615 1195881382 /nfs/dbraw/zinc/88/13/82/1195881382.db2.gz FSRFTUSZWHRVDV-IKGGRYGDSA-N 2 1 368.522 0.437 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001219037470 1224309642 /nfs/dbraw/zinc/30/96/42/1224309642.db2.gz MFDOCTDQMLRASV-ZWKOTPCHSA-N 2 1 369.506 0.173 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001219037470 1224309649 /nfs/dbraw/zinc/30/96/49/1224309649.db2.gz MFDOCTDQMLRASV-ZWKOTPCHSA-N 2 1 369.506 0.173 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911165210 1195903017 /nfs/dbraw/zinc/90/30/17/1195903017.db2.gz OPERDMAMQLJXIJ-DLBZAZTESA-N 2 1 374.485 0.390 20 0 FCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911165210 1195903021 /nfs/dbraw/zinc/90/30/21/1195903021.db2.gz OPERDMAMQLJXIJ-DLBZAZTESA-N 2 1 374.485 0.390 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911187111 1195904814 /nfs/dbraw/zinc/90/48/14/1195904814.db2.gz MGZOHVDYYAPKFD-QZTJIDSGSA-N 2 1 358.486 0.822 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911175686 1195911590 /nfs/dbraw/zinc/91/15/90/1195911590.db2.gz FVOOVEXDXZJJRO-CYGHRXIMSA-N 2 1 374.485 0.198 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911175686 1195911594 /nfs/dbraw/zinc/91/15/94/1195911594.db2.gz FVOOVEXDXZJJRO-CYGHRXIMSA-N 2 1 374.485 0.198 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911270550 1195925600 /nfs/dbraw/zinc/92/56/00/1195925600.db2.gz YMTMGZAVCZYVCF-SJORKVTESA-N 2 1 367.538 0.025 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911284323 1195932644 /nfs/dbraw/zinc/93/26/44/1195932644.db2.gz ZSQYKNAXSMLWQU-GOSISDBHSA-N 2 1 360.502 0.993 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911284323 1195932648 /nfs/dbraw/zinc/93/26/48/1195932648.db2.gz ZSQYKNAXSMLWQU-GOSISDBHSA-N 2 1 360.502 0.993 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044100 1224314424 /nfs/dbraw/zinc/31/44/24/1224314424.db2.gz PPRIBUPBXGQZSE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044100 1224314427 /nfs/dbraw/zinc/31/44/27/1224314427.db2.gz PPRIBUPBXGQZSE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044100 1224314431 /nfs/dbraw/zinc/31/44/31/1224314431.db2.gz PPRIBUPBXGQZSE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCOC(C)C)C[C@@H]32)C1 ZINC001219044100 1224314434 /nfs/dbraw/zinc/31/44/34/1224314434.db2.gz PPRIBUPBXGQZSE-RCCFBDPRSA-N 2 1 369.506 0.434 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H](C(=O)N3CC[NH2+]CC3)C1)CC2 ZINC000911702480 1196308192 /nfs/dbraw/zinc/30/81/92/1196308192.db2.gz LAZRPAZLKKJQCG-HZPDHXFCSA-N 2 1 359.474 0.424 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083655147 1196350266 /nfs/dbraw/zinc/35/02/66/1196350266.db2.gz ZAOLWDYTFYAULT-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083655147 1196350271 /nfs/dbraw/zinc/35/02/71/1196350271.db2.gz ZAOLWDYTFYAULT-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCCCC2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083655147 1196350277 /nfs/dbraw/zinc/35/02/77/1196350277.db2.gz ZAOLWDYTFYAULT-QGRXYFRJSA-N 2 1 363.502 0.591 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@@H+](C)C[C@@H]3CO)CC2)c1 ZINC000912742702 1196365748 /nfs/dbraw/zinc/36/57/48/1196365748.db2.gz GQCYIVGOROVOGR-LJQANCHMSA-N 2 1 360.502 0.642 20 0 FCADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@H+](C)C[C@@H]3CO)CC2)c1 ZINC000912742702 1196365752 /nfs/dbraw/zinc/36/57/52/1196365752.db2.gz GQCYIVGOROVOGR-LJQANCHMSA-N 2 1 360.502 0.642 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057153075 1196501534 /nfs/dbraw/zinc/50/15/34/1196501534.db2.gz JYUYHFZRSYWCHY-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057153075 1196501538 /nfs/dbraw/zinc/50/15/38/1196501538.db2.gz JYUYHFZRSYWCHY-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736324 1196735953 /nfs/dbraw/zinc/73/59/53/1196735953.db2.gz AIIQCGGZJUTVLB-HKUYNNGSSA-N 3 1 358.486 0.905 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736324 1196735960 /nfs/dbraw/zinc/73/59/60/1196735960.db2.gz AIIQCGGZJUTVLB-HKUYNNGSSA-N 3 1 358.486 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105977806 1196762986 /nfs/dbraw/zinc/76/29/86/1196762986.db2.gz ADEZZCMTCFPXDM-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001105977806 1196762996 /nfs/dbraw/zinc/76/29/96/1196762996.db2.gz ADEZZCMTCFPXDM-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP COc1ncc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(C)n1 ZINC001088983126 1196856306 /nfs/dbraw/zinc/85/63/06/1196856306.db2.gz JFXSWMNXVZDPDF-ZBFHGGJFSA-N 2 1 359.474 0.968 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(C)n1 ZINC001088983126 1196856307 /nfs/dbraw/zinc/85/63/07/1196856307.db2.gz JFXSWMNXVZDPDF-ZBFHGGJFSA-N 2 1 359.474 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000992400271 1197088850 /nfs/dbraw/zinc/08/88/50/1197088850.db2.gz NAXJKZKOTJXPJD-XHSDSOJGSA-N 2 1 359.474 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000992400271 1197088855 /nfs/dbraw/zinc/08/88/55/1197088855.db2.gz NAXJKZKOTJXPJD-XHSDSOJGSA-N 2 1 359.474 0.818 20 0 FCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000913996980 1197195739 /nfs/dbraw/zinc/19/57/39/1197195739.db2.gz DAGQCYLYEHLHGD-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000913996980 1197195747 /nfs/dbraw/zinc/19/57/47/1197195747.db2.gz DAGQCYLYEHLHGD-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000913996980 1197195754 /nfs/dbraw/zinc/19/57/54/1197195754.db2.gz DAGQCYLYEHLHGD-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000914029541 1197207068 /nfs/dbraw/zinc/20/70/68/1197207068.db2.gz WLCWAKUNGBFGCK-UHFFFAOYSA-N 2 1 373.501 0.968 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219261027 1224406951 /nfs/dbraw/zinc/40/69/51/1224406951.db2.gz ZLIOQLRKECZVPH-CYBMUJFWSA-N 3 1 361.446 0.856 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4ncc[nH]4)C[C@]3(C)C2)C1 ZINC000992847918 1197551084 /nfs/dbraw/zinc/55/10/84/1197551084.db2.gz BBGGILWBICPJPC-YZVOILCLSA-N 2 1 359.474 0.601 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992933310 1197611743 /nfs/dbraw/zinc/61/17/43/1197611743.db2.gz BWJXHFZDHBRXLB-MDZRGWNJSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992933310 1197611747 /nfs/dbraw/zinc/61/17/47/1197611747.db2.gz BWJXHFZDHBRXLB-MDZRGWNJSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992940990 1197619581 /nfs/dbraw/zinc/61/95/81/1197619581.db2.gz KBAIZBXBZGQMSP-FCEWJHQRSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992940990 1197619591 /nfs/dbraw/zinc/61/95/91/1197619591.db2.gz KBAIZBXBZGQMSP-FCEWJHQRSA-N 2 1 359.474 0.450 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085224780 1197701246 /nfs/dbraw/zinc/70/12/46/1197701246.db2.gz VESHXIWPXFCIHL-ARFHVFGLSA-N 2 1 363.510 0.705 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)C1 ZINC001085224780 1197701259 /nfs/dbraw/zinc/70/12/59/1197701259.db2.gz VESHXIWPXFCIHL-ARFHVFGLSA-N 2 1 363.510 0.705 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001085232200 1197720907 /nfs/dbraw/zinc/72/09/07/1197720907.db2.gz QLAULVWUKKRIIV-AAVRWANBSA-N 2 1 374.445 0.082 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085245657 1197738004 /nfs/dbraw/zinc/73/80/04/1197738004.db2.gz GXHNXAWEDDAZMB-BZUAXINKSA-N 2 1 364.490 0.637 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274355 1197742767 /nfs/dbraw/zinc/74/27/67/1197742767.db2.gz HITDELSPWBGJTD-OKZBNKHCSA-N 2 1 366.506 0.792 20 0 FCADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001106247054 1197779003 /nfs/dbraw/zinc/77/90/03/1197779003.db2.gz URWGVPFNBICDJG-INMHGKMJSA-N 2 1 366.506 0.060 20 0 FCADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085377350 1197851954 /nfs/dbraw/zinc/85/19/54/1197851954.db2.gz TVQYBWXMXXHGQA-ZACQAIPSSA-N 2 1 368.441 0.786 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309713 1197861539 /nfs/dbraw/zinc/86/15/39/1197861539.db2.gz DIKKSCZECJICTR-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309713 1197861546 /nfs/dbraw/zinc/86/15/46/1197861546.db2.gz DIKKSCZECJICTR-QBPKDAKJSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735585105 1197864160 /nfs/dbraw/zinc/86/41/60/1197864160.db2.gz DTGNBUOQUKEYCR-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001085422447 1197887197 /nfs/dbraw/zinc/88/71/97/1197887197.db2.gz UAYJNVWAZRBGCA-RRFJBIMHSA-N 2 1 363.510 0.897 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001085422447 1197887200 /nfs/dbraw/zinc/88/72/00/1197887200.db2.gz UAYJNVWAZRBGCA-RRFJBIMHSA-N 2 1 363.510 0.897 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001085423125 1197887920 /nfs/dbraw/zinc/88/79/20/1197887920.db2.gz XSBTVMJDVFZPHP-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085423125 1197887921 /nfs/dbraw/zinc/88/79/21/1197887921.db2.gz XSBTVMJDVFZPHP-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716144 1197946412 /nfs/dbraw/zinc/94/64/12/1197946412.db2.gz KIQXYZOUGXPBND-ICSRJNTNSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716144 1197946417 /nfs/dbraw/zinc/94/64/17/1197946417.db2.gz KIQXYZOUGXPBND-ICSRJNTNSA-N 2 1 374.529 0.479 20 0 FCADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716144 1197946422 /nfs/dbraw/zinc/94/64/22/1197946422.db2.gz KIQXYZOUGXPBND-ICSRJNTNSA-N 2 1 374.529 0.479 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273386213 1198087275 /nfs/dbraw/zinc/08/72/75/1198087275.db2.gz ZMDXKXJDWWXZOB-HNAYVOBHSA-N 2 1 364.490 0.398 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001086090658 1198158839 /nfs/dbraw/zinc/15/88/39/1198158839.db2.gz LKJXSTCXMFQLHE-APIJFGDWSA-N 2 1 362.478 0.133 20 0 FCADMP C[C@@H](C(=O)N1CCN(Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1)N(C)C ZINC001273403292 1198203281 /nfs/dbraw/zinc/20/32/81/1198203281.db2.gz CEUNZCIMLQTLCW-KXBFYZLASA-N 2 1 361.490 0.648 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001086400353 1198355437 /nfs/dbraw/zinc/35/54/37/1198355437.db2.gz CWPGHTXSWFRDAK-QBPKDAKJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCCCC3)C2)O1 ZINC001086400353 1198355448 /nfs/dbraw/zinc/35/54/48/1198355448.db2.gz CWPGHTXSWFRDAK-QBPKDAKJSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001086400820 1198357454 /nfs/dbraw/zinc/35/74/54/1198357454.db2.gz YOGQWGKELXCUIX-AAVRWANBSA-N 2 1 371.432 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001086400820 1198357461 /nfs/dbraw/zinc/35/74/61/1198357461.db2.gz YOGQWGKELXCUIX-AAVRWANBSA-N 2 1 371.432 0.982 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])c1cccnc1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219497904 1224488215 /nfs/dbraw/zinc/48/82/15/1224488215.db2.gz JSEMXQGSQCIZEY-LPHOPBHVSA-N 2 1 367.409 0.912 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@@H]1COC(C)(C)C[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503375 1224489967 /nfs/dbraw/zinc/48/99/67/1224489967.db2.gz HZFGITHQQLZIPD-LIRRHRJNSA-N 2 1 374.441 0.584 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538275 1224502717 /nfs/dbraw/zinc/50/27/17/1224502717.db2.gz WXVMQYQWTLSOSX-KBRIMQKVSA-N 3 1 372.469 0.526 20 0 FCADMP CN1C[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)OC2(CC[NH2+]CC2)C1 ZINC001219538275 1224502720 /nfs/dbraw/zinc/50/27/20/1224502720.db2.gz WXVMQYQWTLSOSX-KBRIMQKVSA-N 2 1 372.469 0.526 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001086484583 1198959056 /nfs/dbraw/zinc/95/90/56/1198959056.db2.gz FGISWVHQSCQWQN-DBDQLMEASA-N 2 1 370.497 0.705 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000746046367 1198961980 /nfs/dbraw/zinc/96/19/80/1198961980.db2.gz YEFJXFZJGHCITM-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1 ZINC001169133748 1199047414 /nfs/dbraw/zinc/04/74/14/1199047414.db2.gz JPRWXELMIDAUER-AJYBTWMASA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169133748 1199047425 /nfs/dbraw/zinc/04/74/25/1199047425.db2.gz JPRWXELMIDAUER-AJYBTWMASA-N 2 1 364.534 0.772 20 0 FCADMP CNC(=O)CN1CCOC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001169133748 1199047432 /nfs/dbraw/zinc/04/74/32/1199047432.db2.gz JPRWXELMIDAUER-AJYBTWMASA-N 2 1 364.534 0.772 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001169173077 1199055748 /nfs/dbraw/zinc/05/57/48/1199055748.db2.gz YLVLZCZLNYBNLC-KBPBESRZSA-N 2 1 362.478 0.416 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H]1C[NH3+] ZINC001169173077 1199055757 /nfs/dbraw/zinc/05/57/57/1199055757.db2.gz YLVLZCZLNYBNLC-KBPBESRZSA-N 2 1 362.478 0.416 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129370740 1199132654 /nfs/dbraw/zinc/13/26/54/1199132654.db2.gz ZRIJKBUNXNIJTF-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129370740 1199132658 /nfs/dbraw/zinc/13/26/58/1199132658.db2.gz ZRIJKBUNXNIJTF-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129370740 1199132665 /nfs/dbraw/zinc/13/26/65/1199132665.db2.gz ZRIJKBUNXNIJTF-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129370740 1199132669 /nfs/dbraw/zinc/13/26/69/1199132669.db2.gz ZRIJKBUNXNIJTF-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001219723392 1224575847 /nfs/dbraw/zinc/57/58/47/1224575847.db2.gz LREVWLSCOIEQAZ-RBUKOAKNSA-N 3 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001219723392 1224575852 /nfs/dbraw/zinc/57/58/52/1224575852.db2.gz LREVWLSCOIEQAZ-RBUKOAKNSA-N 2 1 372.513 0.593 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001219723392 1224575860 /nfs/dbraw/zinc/57/58/60/1224575860.db2.gz LREVWLSCOIEQAZ-RBUKOAKNSA-N 2 1 372.513 0.593 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293818 1200151135 /nfs/dbraw/zinc/15/11/35/1200151135.db2.gz HUCZMCHGLHZLAG-XWSJACJDSA-N 2 1 374.529 0.918 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293818 1200151143 /nfs/dbraw/zinc/15/11/43/1200151143.db2.gz HUCZMCHGLHZLAG-XWSJACJDSA-N 2 1 374.529 0.918 20 0 FCADMP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766555 1224601987 /nfs/dbraw/zinc/60/19/87/1224601987.db2.gz WBTBXACGYGVQTQ-UWWQBHOKSA-N 2 1 353.470 0.515 20 0 FCADMP [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766555 1224601995 /nfs/dbraw/zinc/60/19/95/1224601995.db2.gz WBTBXACGYGVQTQ-UWWQBHOKSA-N 2 1 353.470 0.515 20 0 FCADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219765287 1224600983 /nfs/dbraw/zinc/60/09/83/1224600983.db2.gz YNOJBLZQPQTRQL-GJYPPUQNSA-N 2 1 370.497 0.479 20 0 FCADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219765287 1224600990 /nfs/dbraw/zinc/60/09/90/1224600990.db2.gz YNOJBLZQPQTRQL-GJYPPUQNSA-N 2 1 370.497 0.479 20 0 FCADMP [NH3+]C1CCN([C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)c2ccco2)CC1 ZINC001219764435 1224601587 /nfs/dbraw/zinc/60/15/87/1224601587.db2.gz FQWDZUIEMDBNBT-UWWQBHOKSA-N 2 1 361.490 0.154 20 0 FCADMP [NH3+]C1CCN([C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)c2ccco2)CC1 ZINC001219764435 1224601594 /nfs/dbraw/zinc/60/15/94/1224601594.db2.gz FQWDZUIEMDBNBT-UWWQBHOKSA-N 2 1 361.490 0.154 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525445 1200364128 /nfs/dbraw/zinc/36/41/28/1200364128.db2.gz CPBBBPAYGWTDDX-IKGGRYGDSA-N 2 1 363.462 0.066 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525445 1200364132 /nfs/dbraw/zinc/36/41/32/1200364132.db2.gz CPBBBPAYGWTDDX-IKGGRYGDSA-N 2 1 363.462 0.066 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCNC(=O)CC2)CC1 ZINC001109650175 1200442028 /nfs/dbraw/zinc/44/20/28/1200442028.db2.gz WVPDKEPJPUHUDE-YVSFHVDLSA-N 2 1 362.518 0.966 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652867 1200445654 /nfs/dbraw/zinc/44/56/54/1200445654.db2.gz HSANRQGZNLHIAE-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652867 1200445658 /nfs/dbraw/zinc/44/56/58/1200445658.db2.gz HSANRQGZNLHIAE-XGUBFFRZSA-N 2 1 367.494 0.284 20 0 FCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317716 1200560154 /nfs/dbraw/zinc/56/01/54/1200560154.db2.gz WRSSLIJFAAKSRK-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317716 1200560161 /nfs/dbraw/zinc/56/01/61/1200560161.db2.gz WRSSLIJFAAKSRK-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000771317716 1200560166 /nfs/dbraw/zinc/56/01/66/1200560166.db2.gz WRSSLIJFAAKSRK-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)C1=O ZINC001109847769 1200560689 /nfs/dbraw/zinc/56/06/89/1200560689.db2.gz GMDYZJQXYUUMBS-QZWWFDLISA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001109979925 1200664353 /nfs/dbraw/zinc/66/43/53/1200664353.db2.gz FQIMJRVVTDZMRM-IKGGRYGDSA-N 2 1 366.506 0.299 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804338 1224624405 /nfs/dbraw/zinc/62/44/05/1224624405.db2.gz SOVUCZFGOGBWOC-NZSAHSFTSA-N 2 1 360.502 0.754 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804338 1224624410 /nfs/dbraw/zinc/62/44/10/1224624410.db2.gz SOVUCZFGOGBWOC-NZSAHSFTSA-N 2 1 360.502 0.754 20 0 FCADMP COc1cccc([C@H]([NH3+])CC(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c1 ZINC001219806102 1224625147 /nfs/dbraw/zinc/62/51/47/1224625147.db2.gz JWTISKLYDRIGGV-MRXNPFEDSA-N 2 1 371.441 0.452 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787106614 1200866135 /nfs/dbraw/zinc/86/61/35/1200866135.db2.gz KPCAQOSBLBSQIT-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831368 1224643034 /nfs/dbraw/zinc/64/30/34/1224643034.db2.gz IIIXZOLXEBIOCU-MKXGPGLRSA-N 2 1 358.486 0.344 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831368 1224643039 /nfs/dbraw/zinc/64/30/39/1224643039.db2.gz IIIXZOLXEBIOCU-MKXGPGLRSA-N 2 1 358.486 0.344 20 0 FCADMP C[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1CC(C)(C)O ZINC000790385943 1201071789 /nfs/dbraw/zinc/07/17/89/1201071789.db2.gz OMOIXEBICZAUDV-DNVCBOLYSA-N 2 1 366.506 0.638 20 0 FCADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368805 1201076168 /nfs/dbraw/zinc/07/61/68/1201076168.db2.gz KDJGKEJAQWVVCC-CRAIPNDOSA-N 2 1 360.462 0.864 20 0 FCADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H](Cn3ccnn3)C1)C[NH+]1CCC2CC1 ZINC000790368805 1201076180 /nfs/dbraw/zinc/07/61/80/1201076180.db2.gz KDJGKEJAQWVVCC-CRAIPNDOSA-N 2 1 360.462 0.864 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847523 1224652783 /nfs/dbraw/zinc/65/27/83/1224652783.db2.gz JXCQNBIAABZMQK-CGBFIWBNSA-N 2 1 358.486 0.486 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847523 1224652790 /nfs/dbraw/zinc/65/27/90/1224652790.db2.gz JXCQNBIAABZMQK-CGBFIWBNSA-N 2 1 358.486 0.486 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O)[NH+](C)C ZINC001219870109 1224664263 /nfs/dbraw/zinc/66/42/63/1224664263.db2.gz YVQORFOLBRLKRF-KURKYZTESA-N 2 1 361.486 0.666 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000793803390 1201266844 /nfs/dbraw/zinc/26/68/44/1201266844.db2.gz QYOWOAQVPAFBNW-XJKSGUPXSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000793803390 1201266849 /nfs/dbraw/zinc/26/68/49/1201266849.db2.gz QYOWOAQVPAFBNW-XJKSGUPXSA-N 2 1 370.457 0.791 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001219867983 1224662046 /nfs/dbraw/zinc/66/20/46/1224662046.db2.gz WETYSUMGKITGMB-MSOLQXFVSA-N 2 1 365.518 0.840 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001219867983 1224662051 /nfs/dbraw/zinc/66/20/51/1224662051.db2.gz WETYSUMGKITGMB-MSOLQXFVSA-N 2 1 365.518 0.840 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396404 1201295132 /nfs/dbraw/zinc/29/51/32/1201295132.db2.gz BIJLAABHAPZRSX-ZACQAIPSSA-N 2 1 366.510 0.513 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129407200 1201298450 /nfs/dbraw/zinc/29/84/50/1201298450.db2.gz IHJZCBKOVFXZJY-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129407200 1201298457 /nfs/dbraw/zinc/29/84/57/1201298457.db2.gz IHJZCBKOVFXZJY-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129407200 1201298463 /nfs/dbraw/zinc/29/84/63/1201298463.db2.gz IHJZCBKOVFXZJY-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407234 1201299287 /nfs/dbraw/zinc/29/92/87/1201299287.db2.gz JMZLDOOEPPQCDS-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407234 1201299291 /nfs/dbraw/zinc/29/92/91/1201299291.db2.gz JMZLDOOEPPQCDS-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407234 1201299296 /nfs/dbraw/zinc/29/92/96/1201299296.db2.gz JMZLDOOEPPQCDS-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129407234 1201299300 /nfs/dbraw/zinc/29/93/00/1201299300.db2.gz JMZLDOOEPPQCDS-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433807 1201314383 /nfs/dbraw/zinc/31/43/83/1201314383.db2.gz SSAYHMCTLPCGKL-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433807 1201314389 /nfs/dbraw/zinc/31/43/89/1201314389.db2.gz SSAYHMCTLPCGKL-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433807 1201314396 /nfs/dbraw/zinc/31/43/96/1201314396.db2.gz SSAYHMCTLPCGKL-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433808 1201315818 /nfs/dbraw/zinc/31/58/18/1201315818.db2.gz SSAYHMCTLPCGKL-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433808 1201315819 /nfs/dbraw/zinc/31/58/19/1201315819.db2.gz SSAYHMCTLPCGKL-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433808 1201315821 /nfs/dbraw/zinc/31/58/21/1201315821.db2.gz SSAYHMCTLPCGKL-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219874006 1224665389 /nfs/dbraw/zinc/66/53/89/1224665389.db2.gz VQAYZDRFDBIKCE-SJORKVTESA-N 2 1 371.522 0.323 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219874006 1224665394 /nfs/dbraw/zinc/66/53/94/1224665394.db2.gz VQAYZDRFDBIKCE-SJORKVTESA-N 2 1 371.522 0.323 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459894 1201325792 /nfs/dbraw/zinc/32/57/92/1201325792.db2.gz BBEDMQMRLBNOCG-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459894 1201325796 /nfs/dbraw/zinc/32/57/96/1201325796.db2.gz BBEDMQMRLBNOCG-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129459894 1201325800 /nfs/dbraw/zinc/32/58/00/1201325800.db2.gz BBEDMQMRLBNOCG-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCC1 ZINC001129460276 1201326368 /nfs/dbraw/zinc/32/63/68/1201326368.db2.gz ITFFQESJHGUWJY-IXDOHACOSA-N 2 1 364.494 0.122 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[NH+]1CCCCC1 ZINC001129460276 1201326372 /nfs/dbraw/zinc/32/63/72/1201326372.db2.gz ITFFQESJHGUWJY-IXDOHACOSA-N 2 1 364.494 0.122 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129684774 1201369989 /nfs/dbraw/zinc/36/99/89/1201369989.db2.gz KCCJIVNHGPZEJX-ZACQAIPSSA-N 2 1 362.478 0.140 20 0 FCADMP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685048 1201370160 /nfs/dbraw/zinc/37/01/60/1201370160.db2.gz LYXOELFEAHZKLJ-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837305 1201409784 /nfs/dbraw/zinc/40/97/84/1201409784.db2.gz ASMWDWKUXYTTCY-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892324 1201416315 /nfs/dbraw/zinc/41/63/15/1201416315.db2.gz RKMCLMLNXASAAH-ILXRZTDVSA-N 2 1 359.434 0.040 20 0 FCADMP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040736 1201478508 /nfs/dbraw/zinc/47/85/08/1201478508.db2.gz JPBMAOFUJYCAQW-OAGGEKHMSA-N 2 1 368.457 0.090 20 0 FCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040940 1201478824 /nfs/dbraw/zinc/47/88/24/1201478824.db2.gz UFYMUZNTLWGTGL-SJORKVTESA-N 2 1 362.478 0.308 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001130081612 1201492847 /nfs/dbraw/zinc/49/28/47/1201492847.db2.gz XKPCJPNTULGGEJ-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001130081612 1201492849 /nfs/dbraw/zinc/49/28/49/1201492849.db2.gz XKPCJPNTULGGEJ-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130096872 1201499263 /nfs/dbraw/zinc/49/92/63/1201499263.db2.gz WEQKWRVTTAZSQN-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130106985 1201501966 /nfs/dbraw/zinc/50/19/66/1201501966.db2.gz BXXNKUWFCGIPAJ-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001130107222 1201502215 /nfs/dbraw/zinc/50/22/15/1201502215.db2.gz JXUOIEPTBHRDBY-MSOLQXFVSA-N 2 1 371.489 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130107556 1201502819 /nfs/dbraw/zinc/50/28/19/1201502819.db2.gz QXHMNAODCKOKFT-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137108 1201513967 /nfs/dbraw/zinc/51/39/67/1201513967.db2.gz IWXMTVXOKWDLBZ-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910508 1224678944 /nfs/dbraw/zinc/67/89/44/1224678944.db2.gz GIPNJZPQHGYSMZ-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910508 1224678946 /nfs/dbraw/zinc/67/89/46/1224678946.db2.gz GIPNJZPQHGYSMZ-MOPGFXCFSA-N 2 1 369.469 0.973 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1F ZINC001130184648 1201537443 /nfs/dbraw/zinc/53/74/43/1201537443.db2.gz WTJSINKJOANOKD-DVOMOZLQSA-N 2 1 366.437 0.578 20 0 FCADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)Nc1ccccc1F ZINC001130184648 1201537444 /nfs/dbraw/zinc/53/74/44/1201537444.db2.gz WTJSINKJOANOKD-DVOMOZLQSA-N 2 1 366.437 0.578 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919930 1224681269 /nfs/dbraw/zinc/68/12/69/1224681269.db2.gz UETFFMNHQPPUAB-KURKYZTESA-N 2 1 362.474 0.638 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[nH]1 ZINC001130244229 1201564107 /nfs/dbraw/zinc/56/41/07/1201564107.db2.gz DRWXRUVPBQGDLJ-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130244229 1201564114 /nfs/dbraw/zinc/56/41/14/1201564114.db2.gz DRWXRUVPBQGDLJ-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130244229 1201564116 /nfs/dbraw/zinc/56/41/16/1201564116.db2.gz DRWXRUVPBQGDLJ-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130244229 1201564121 /nfs/dbraw/zinc/56/41/21/1201564121.db2.gz DRWXRUVPBQGDLJ-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130244229 1201564127 /nfs/dbraw/zinc/56/41/27/1201564127.db2.gz DRWXRUVPBQGDLJ-GJZGRUSLSA-N 2 1 366.510 0.881 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+]2CCCC2)n1 ZINC001130251502 1201569838 /nfs/dbraw/zinc/56/98/38/1201569838.db2.gz YFRYBGDNSDUXSF-GJZGRUSLSA-N 2 1 364.494 0.779 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001130251502 1201569841 /nfs/dbraw/zinc/56/98/41/1201569841.db2.gz YFRYBGDNSDUXSF-GJZGRUSLSA-N 2 1 364.494 0.779 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941291 1224692624 /nfs/dbraw/zinc/69/26/24/1224692624.db2.gz UCFPDVZZPJQLDS-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033790 1224732894 /nfs/dbraw/zinc/73/28/94/1224732894.db2.gz IVWKFBGNOAHGDT-VPOUWSJSSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033790 1224732897 /nfs/dbraw/zinc/73/28/97/1224732897.db2.gz IVWKFBGNOAHGDT-VPOUWSJSSA-N 2 1 363.502 0.757 20 0 FCADMP CCC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033790 1224732899 /nfs/dbraw/zinc/73/28/99/1224732899.db2.gz IVWKFBGNOAHGDT-VPOUWSJSSA-N 2 1 363.502 0.757 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130532118 1202710459 /nfs/dbraw/zinc/71/04/59/1202710459.db2.gz VGIFSOVOSGZYJH-CGTJXYLNSA-N 2 1 363.506 0.825 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130615531 1202733944 /nfs/dbraw/zinc/73/39/44/1202733944.db2.gz UXORYHOVOQYRHH-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790036 1202797861 /nfs/dbraw/zinc/79/78/61/1202797861.db2.gz DXNWJJCSTSHAJH-LZWOXQAQSA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790119 1202798576 /nfs/dbraw/zinc/79/85/76/1202798576.db2.gz IQFCBDQCKJNQOY-LZWOXQAQSA-N 2 1 364.494 0.979 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946006 1202827733 /nfs/dbraw/zinc/82/77/33/1202827733.db2.gz HZGRZVYIVOYAIV-NUJGCVRESA-N 2 1 363.506 0.681 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946006 1202827735 /nfs/dbraw/zinc/82/77/35/1202827735.db2.gz HZGRZVYIVOYAIV-NUJGCVRESA-N 2 1 363.506 0.681 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988775 1202837718 /nfs/dbraw/zinc/83/77/18/1202837718.db2.gz OCFNKJHVFUMQOF-BRWVUGGUSA-N 2 1 363.506 0.823 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131004019 1202841217 /nfs/dbraw/zinc/84/12/17/1202841217.db2.gz XDAUAUXTZKTJPE-ZACQAIPSSA-N 2 1 363.506 0.561 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017819 1202843722 /nfs/dbraw/zinc/84/37/22/1202843722.db2.gz NIOGVQVKZGCYMP-ZACQAIPSSA-N 2 1 363.506 0.825 20 0 FCADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062159 1202854150 /nfs/dbraw/zinc/85/41/50/1202854150.db2.gz ZTKCUTULEIOVGK-HUUCEWRRSA-N 2 1 359.478 0.190 20 0 FCADMP CCOC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000808153471 1202874724 /nfs/dbraw/zinc/87/47/24/1202874724.db2.gz DBBDRUQJEYQJMV-GOSISDBHSA-N 2 1 368.478 0.871 20 0 FCADMP CCOC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000808153471 1202874726 /nfs/dbraw/zinc/87/47/26/1202874726.db2.gz DBBDRUQJEYQJMV-GOSISDBHSA-N 2 1 368.478 0.871 20 0 FCADMP O=C([C@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205989 1202877539 /nfs/dbraw/zinc/87/75/39/1202877539.db2.gz AATNWOWSUABDND-KXBFYZLASA-N 2 1 362.474 0.805 20 0 FCADMP O=C([C@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1)N1CCCC1 ZINC000808205989 1202877542 /nfs/dbraw/zinc/87/75/42/1202877542.db2.gz AATNWOWSUABDND-KXBFYZLASA-N 2 1 362.474 0.805 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001086664228 1202881222 /nfs/dbraw/zinc/88/12/22/1202881222.db2.gz DJOSMXOBRFXEEJ-BFHYXJOUSA-N 2 1 371.432 0.983 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001086664228 1202881225 /nfs/dbraw/zinc/88/12/25/1202881225.db2.gz DJOSMXOBRFXEEJ-BFHYXJOUSA-N 2 1 371.432 0.983 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccn1 ZINC001086665043 1202887653 /nfs/dbraw/zinc/88/76/53/1202887653.db2.gz OGGCLKVUMIGXSI-USXIJHARSA-N 2 1 362.474 0.795 20 0 FCADMP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccn1 ZINC001086665043 1202887658 /nfs/dbraw/zinc/88/76/58/1202887658.db2.gz OGGCLKVUMIGXSI-USXIJHARSA-N 2 1 362.474 0.795 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCCN(CCCOC)CC2)CC[N@H+]1C ZINC001131360292 1202888638 /nfs/dbraw/zinc/88/86/38/1202888638.db2.gz QVRVJUOOMAZXCX-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCOC)CC2)CC[N@@H+]1C ZINC001131360292 1202888640 /nfs/dbraw/zinc/88/86/40/1202888640.db2.gz QVRVJUOOMAZXCX-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCOC)CC2)CC[N@H+]1C ZINC001131360292 1202888641 /nfs/dbraw/zinc/88/86/41/1202888641.db2.gz QVRVJUOOMAZXCX-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CCCOC)CC2)CC[NH+]1C ZINC001131360292 1202888642 /nfs/dbraw/zinc/88/86/42/1202888642.db2.gz QVRVJUOOMAZXCX-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CCCOC)CC2)CC[NH+]1C ZINC001131360292 1202888643 /nfs/dbraw/zinc/88/86/43/1202888643.db2.gz QVRVJUOOMAZXCX-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CN(CCC[N@@H+](C)CC(=O)NC1CCC2(CC1)OCCO2)CC[NH+](C)C ZINC000808781576 1202898271 /nfs/dbraw/zinc/89/82/71/1202898271.db2.gz JCTGBHCJTRHUSX-UHFFFAOYSA-N 2 1 370.538 0.604 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001131512245 1202909364 /nfs/dbraw/zinc/90/93/64/1202909364.db2.gz VHSUJZNVMNCFKC-APWZRJJASA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)CC[NH+](C)C)CC2)o1 ZINC001131564171 1202914956 /nfs/dbraw/zinc/91/49/56/1202914956.db2.gz FDSPFHGTXWLXPL-QAPCUYQASA-N 2 1 365.478 0.815 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131588157 1202916637 /nfs/dbraw/zinc/91/66/37/1202916637.db2.gz UPZSMEJCQDLCEC-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)C1 ZINC001131606855 1202918637 /nfs/dbraw/zinc/91/86/37/1202918637.db2.gz JDOFDKSRYYKNIV-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOC)CC2)C1 ZINC001131606855 1202918642 /nfs/dbraw/zinc/91/86/42/1202918642.db2.gz JDOFDKSRYYKNIV-KURKYZTESA-N 2 1 369.506 0.339 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131609005 1202920459 /nfs/dbraw/zinc/92/04/59/1202920459.db2.gz UKGMVMFKAGMZHS-NUJGCVRESA-N 2 1 366.506 0.201 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086695403 1202968656 /nfs/dbraw/zinc/96/86/56/1202968656.db2.gz PFLOECLIERAMJS-RRFJBIMHSA-N 2 1 364.494 0.356 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001086701000 1202975206 /nfs/dbraw/zinc/97/52/06/1202975206.db2.gz XUKHSFVZPBZYLO-LJISPDSOSA-N 2 1 364.494 0.213 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086711852 1202996669 /nfs/dbraw/zinc/99/66/69/1202996669.db2.gz DRJSIUNQQSMLHH-ZNMIVQPWSA-N 2 1 364.494 0.357 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001086784982 1203092697 /nfs/dbraw/zinc/09/26/97/1203092697.db2.gz DRPXVKWMWSVMHZ-ARFHVFGLSA-N 2 1 364.494 0.299 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863965 1203102943 /nfs/dbraw/zinc/10/29/43/1203102943.db2.gz YXOLUCJMIKFPQC-RBSFLKMASA-N 2 1 369.510 0.437 20 0 FCADMP NC(=[NH2+])N(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1F ZINC001220106328 1224766073 /nfs/dbraw/zinc/76/60/73/1224766073.db2.gz JQYSALCDFMDFOH-AWEZNQCLSA-N 2 1 357.389 0.738 20 0 FCADMP COC[C@]1(c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CC[NH2+]C1 ZINC000822914218 1203240064 /nfs/dbraw/zinc/24/00/64/1203240064.db2.gz DMMABFHOIPDISH-SFHVURJKSA-N 2 1 358.446 0.761 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000823131859 1203251180 /nfs/dbraw/zinc/25/11/80/1203251180.db2.gz ZAFFFYDTUQKCRH-SOLBZPMBSA-N 2 1 368.522 0.990 20 0 FCADMP COCCC1([NH3+])CCN(C(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)CC1 ZINC001143682596 1203325111 /nfs/dbraw/zinc/32/51/11/1203325111.db2.gz XKHXFXIKGUHKDE-ROUUACIJSA-N 2 1 361.486 0.978 20 0 FCADMP O=C(CO[C@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000844179571 1203338298 /nfs/dbraw/zinc/33/82/98/1203338298.db2.gz MMZBTLJIUFUAFN-SFHVURJKSA-N 2 1 374.485 0.216 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224736 1224808980 /nfs/dbraw/zinc/80/89/80/1224808980.db2.gz ZNOZRJVNJUINNC-JQHSSLGASA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224736 1224808982 /nfs/dbraw/zinc/80/89/82/1224808982.db2.gz ZNOZRJVNJUINNC-JQHSSLGASA-N 2 1 364.490 0.732 20 0 FCADMP CC1(C)OCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)CO1 ZINC001220271091 1224818043 /nfs/dbraw/zinc/81/80/43/1224818043.db2.gz SSIVAZAABGSFCR-KRWDZBQOSA-N 2 1 359.470 0.976 20 0 FCADMP CC1(C)OCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)CO1 ZINC001220271091 1224818045 /nfs/dbraw/zinc/81/80/45/1224818045.db2.gz SSIVAZAABGSFCR-KRWDZBQOSA-N 2 1 359.470 0.976 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001220306110 1224824495 /nfs/dbraw/zinc/82/44/95/1224824495.db2.gz CJYNBBZXUGHSDQ-NQIIRXRSSA-N 2 1 371.529 0.466 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001091096751 1204514558 /nfs/dbraw/zinc/51/45/58/1204514558.db2.gz YOGQWGKELXCUIX-BLYZHGLHSA-N 2 1 371.432 0.982 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001091096751 1204514563 /nfs/dbraw/zinc/51/45/63/1204514563.db2.gz YOGQWGKELXCUIX-BLYZHGLHSA-N 2 1 371.432 0.982 20 0 FCADMP O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001220357273 1224841030 /nfs/dbraw/zinc/84/10/30/1224841030.db2.gz JISXUBHDDOQQPJ-YESZJQIVSA-N 2 1 361.442 0.550 20 0 FCADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358669 1224842536 /nfs/dbraw/zinc/84/25/36/1224842536.db2.gz WBRSVJMGMSSQKY-WCXIOVBPSA-N 2 1 360.458 0.251 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)nn1 ZINC001091543680 1204708493 /nfs/dbraw/zinc/70/84/93/1204708493.db2.gz NJYUHYHLMAUKNB-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)nn1 ZINC001091543680 1204708500 /nfs/dbraw/zinc/70/85/00/1204708500.db2.gz NJYUHYHLMAUKNB-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)nn1 ZINC001091543680 1204708505 /nfs/dbraw/zinc/70/85/05/1204708505.db2.gz NJYUHYHLMAUKNB-OGWOLHLISA-N 2 1 359.474 0.860 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O)[NH+](C)C ZINC001220377613 1224848518 /nfs/dbraw/zinc/84/85/18/1224848518.db2.gz GAYXCRDHFJDXHK-QYZOEREBSA-N 2 1 371.485 0.874 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O)[NH+](C)C ZINC001220377613 1224848525 /nfs/dbraw/zinc/84/85/25/1224848525.db2.gz GAYXCRDHFJDXHK-QYZOEREBSA-N 2 1 371.485 0.874 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582676 1204798717 /nfs/dbraw/zinc/79/87/17/1204798717.db2.gz BSFGVGGNZMHMHF-BFYDXBDKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582676 1204798724 /nfs/dbraw/zinc/79/87/24/1204798724.db2.gz BSFGVGGNZMHMHF-BFYDXBDKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582676 1204798736 /nfs/dbraw/zinc/79/87/36/1204798736.db2.gz BSFGVGGNZMHMHF-BFYDXBDKSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H](NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)C1CC1 ZINC001147582676 1204798740 /nfs/dbraw/zinc/79/87/40/1204798740.db2.gz BSFGVGGNZMHMHF-BFYDXBDKSA-N 2 1 362.518 0.776 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)nn1 ZINC001091676910 1204817724 /nfs/dbraw/zinc/81/77/24/1204817724.db2.gz GZMZNPKIEBRIKK-SUMDDJOVSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)nn1 ZINC001091676910 1204817725 /nfs/dbraw/zinc/81/77/25/1204817725.db2.gz GZMZNPKIEBRIKK-SUMDDJOVSA-N 2 1 358.490 0.437 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001091735742 1204836260 /nfs/dbraw/zinc/83/62/60/1204836260.db2.gz WHGDMDJEIXVRLR-KPFFTGBYSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091735742 1204836261 /nfs/dbraw/zinc/83/62/61/1204836261.db2.gz WHGDMDJEIXVRLR-KPFFTGBYSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091735742 1204836263 /nfs/dbraw/zinc/83/62/63/1204836263.db2.gz WHGDMDJEIXVRLR-KPFFTGBYSA-N 2 1 365.518 0.793 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091737048 1204837840 /nfs/dbraw/zinc/83/78/40/1204837840.db2.gz BBDFMDXRRAUENM-GUXCAODWSA-N 2 1 371.485 0.773 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091737048 1204837842 /nfs/dbraw/zinc/83/78/42/1204837842.db2.gz BBDFMDXRRAUENM-GUXCAODWSA-N 2 1 371.485 0.773 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2Cc3n[nH]c(C(=O)NC4CC[NH+](C)CC4)c3C2)C1 ZINC001273455081 1204851683 /nfs/dbraw/zinc/85/16/83/1204851683.db2.gz QIUAXPDLMFCTJC-LBPRGKRZSA-N 2 1 360.462 0.028 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2Cc3n[nH]c(C(=O)NC4CC[NH+](C)CC4)c3C2)C1 ZINC001273455080 1204851851 /nfs/dbraw/zinc/85/18/51/1204851851.db2.gz QIUAXPDLMFCTJC-GFCCVEGCSA-N 2 1 360.462 0.028 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC2CC[NH+](C)CC2)C1 ZINC001273453828 1204852395 /nfs/dbraw/zinc/85/23/95/1204852395.db2.gz LSRJTXAFPQNVDV-KYHPRHEASA-N 2 1 362.518 0.633 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001086864069 1204853809 /nfs/dbraw/zinc/85/38/09/1204853809.db2.gz BBXDAQCGGXLWEG-FCEWJHQRSA-N 2 1 363.506 0.372 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)C1 ZINC001086880343 1204856078 /nfs/dbraw/zinc/85/60/78/1204856078.db2.gz UURLPNDOGKTAMZ-JZXOWHBKSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)C1 ZINC001086880343 1204856079 /nfs/dbraw/zinc/85/60/79/1204856079.db2.gz UURLPNDOGKTAMZ-JZXOWHBKSA-N 2 1 361.490 0.880 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001086880405 1204856138 /nfs/dbraw/zinc/85/61/38/1204856138.db2.gz YCXDEEDXLKJLBN-JQHSSLGASA-N 2 1 363.506 0.558 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001086880405 1204856139 /nfs/dbraw/zinc/85/61/39/1204856139.db2.gz YCXDEEDXLKJLBN-JQHSSLGASA-N 2 1 363.506 0.558 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)n1 ZINC001086880791 1204856316 /nfs/dbraw/zinc/85/63/16/1204856316.db2.gz OTSDEUXSUFKKRU-ZMSDIMECSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)n1 ZINC001086880791 1204856317 /nfs/dbraw/zinc/85/63/17/1204856317.db2.gz OTSDEUXSUFKKRU-ZMSDIMECSA-N 2 1 364.494 0.393 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001086874859 1204858508 /nfs/dbraw/zinc/85/85/08/1204858508.db2.gz WCQCYBRJFYKSQG-RRFJBIMHSA-N 2 1 365.478 0.585 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086874859 1204858511 /nfs/dbraw/zinc/85/85/11/1204858511.db2.gz WCQCYBRJFYKSQG-RRFJBIMHSA-N 2 1 365.478 0.585 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086875331 1204858766 /nfs/dbraw/zinc/85/87/66/1204858766.db2.gz OITRKQAGTVTICN-SOUVJXGZSA-N 2 1 362.478 0.135 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001086970976 1204870617 /nfs/dbraw/zinc/87/06/17/1204870617.db2.gz QLQATNOBGLSVCB-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001087009441 1204897039 /nfs/dbraw/zinc/89/70/39/1204897039.db2.gz GNOASJVQBJXUJZ-FHLIZLRMSA-N 2 1 371.489 0.190 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001087009621 1204897055 /nfs/dbraw/zinc/89/70/55/1204897055.db2.gz PUIODOYUWWEDDU-DLBZAZTESA-N 2 1 371.489 0.334 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087034873 1204910035 /nfs/dbraw/zinc/91/00/35/1204910035.db2.gz AIVLMTXSPIAEHP-QLFBSQMISA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087034873 1204910039 /nfs/dbraw/zinc/91/00/39/1204910039.db2.gz AIVLMTXSPIAEHP-QLFBSQMISA-N 2 1 365.478 0.679 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087034331 1204923729 /nfs/dbraw/zinc/92/37/29/1204923729.db2.gz ALBUIBGSLHRMEJ-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087059659 1204944312 /nfs/dbraw/zinc/94/43/12/1204944312.db2.gz ORSWHVOVBDKOEG-BFYDXBDKSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087059889 1204945786 /nfs/dbraw/zinc/94/57/86/1204945786.db2.gz ZHJAQRDMWGVRAF-INMHGKMJSA-N 2 1 365.478 0.671 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087063236 1204950138 /nfs/dbraw/zinc/95/01/38/1204950138.db2.gz OOHAAOPTYNPIMQ-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087062771 1204950293 /nfs/dbraw/zinc/95/02/93/1204950293.db2.gz UJOIDMYDELNIGP-MUIFIZLQSA-N 2 1 366.462 0.347 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087062771 1204950301 /nfs/dbraw/zinc/95/03/01/1204950301.db2.gz UJOIDMYDELNIGP-MUIFIZLQSA-N 2 1 366.462 0.347 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087063416 1204950334 /nfs/dbraw/zinc/95/03/34/1204950334.db2.gz XMLSJDRTFYIYLZ-BPQIPLTHSA-N 2 1 363.506 0.858 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087066541 1204954462 /nfs/dbraw/zinc/95/44/62/1204954462.db2.gz HJWWHMGWRQRNRG-NVXWUHKLSA-N 2 1 360.462 0.578 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083639 1204970060 /nfs/dbraw/zinc/97/00/60/1204970060.db2.gz NQEGGIZXAIWVCO-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087083348 1204970374 /nfs/dbraw/zinc/97/03/74/1204970374.db2.gz AMTPJLGRHGILOH-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087100798 1204996682 /nfs/dbraw/zinc/99/66/82/1204996682.db2.gz FIVOBYRLMSYGLQ-BZUAXINKSA-N 2 1 364.494 0.203 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087100993 1204997346 /nfs/dbraw/zinc/99/73/46/1204997346.db2.gz OISFTCSIHHBLLO-IIAWOOMASA-N 2 1 366.462 0.588 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087100911 1204998309 /nfs/dbraw/zinc/99/83/09/1204998309.db2.gz KQAQISGVEIJQOD-RCCFBDPRSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)c1nc(C)no1 ZINC001087101581 1204999403 /nfs/dbraw/zinc/99/94/03/1204999403.db2.gz RMRUYZNTSWZVPK-NUEKZKHPSA-N 2 1 365.478 0.988 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087096521 1205004982 /nfs/dbraw/zinc/00/49/82/1205004982.db2.gz QLJLTGHAJQGDSC-BRWVUGGUSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@]12CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091824465 1205044736 /nfs/dbraw/zinc/04/47/36/1205044736.db2.gz ZGOZGYLZQRKAKA-OGWOLHLISA-N 2 1 353.426 0.617 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091909925 1205069016 /nfs/dbraw/zinc/06/90/16/1205069016.db2.gz DOBHLFZVLOOOPG-GUXCAODWSA-N 2 1 362.518 0.920 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@]3(C)C2)C1=O ZINC001091975277 1205105568 /nfs/dbraw/zinc/10/55/68/1205105568.db2.gz NASWVGRJLPPTBG-UWVAXJGDSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010306 1205112097 /nfs/dbraw/zinc/11/20/97/1205112097.db2.gz BBORFWHVFOIUGZ-YRNRMSPPSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010306 1205112108 /nfs/dbraw/zinc/11/21/08/1205112108.db2.gz BBORFWHVFOIUGZ-YRNRMSPPSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092010306 1205112114 /nfs/dbraw/zinc/11/21/14/1205112114.db2.gz BBORFWHVFOIUGZ-YRNRMSPPSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012885 1205113538 /nfs/dbraw/zinc/11/35/38/1205113538.db2.gz DLGHNTCZPWMHON-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012885 1205113543 /nfs/dbraw/zinc/11/35/43/1205113543.db2.gz DLGHNTCZPWMHON-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012885 1205113547 /nfs/dbraw/zinc/11/35/47/1205113547.db2.gz DLGHNTCZPWMHON-HLIPFELVSA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014638 1205115054 /nfs/dbraw/zinc/11/50/54/1205115054.db2.gz BJMSEPDSBFOEIT-YRNRMSPPSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014638 1205115059 /nfs/dbraw/zinc/11/50/59/1205115059.db2.gz BJMSEPDSBFOEIT-YRNRMSPPSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014638 1205115061 /nfs/dbraw/zinc/11/50/61/1205115061.db2.gz BJMSEPDSBFOEIT-YRNRMSPPSA-N 2 1 364.534 0.975 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@@]3(C)C2)CC1 ZINC001092131303 1205170005 /nfs/dbraw/zinc/17/00/05/1205170005.db2.gz SHYYLPTYROFLFR-HLIPFELVSA-N 2 1 362.518 0.729 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301384 1205234873 /nfs/dbraw/zinc/23/48/73/1205234873.db2.gz GCINXBKPKYHTOM-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301384 1205234875 /nfs/dbraw/zinc/23/48/75/1205234875.db2.gz GCINXBKPKYHTOM-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301384 1205234879 /nfs/dbraw/zinc/23/48/79/1205234879.db2.gz GCINXBKPKYHTOM-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092301384 1205234882 /nfs/dbraw/zinc/23/48/82/1205234882.db2.gz GCINXBKPKYHTOM-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287004 1205252620 /nfs/dbraw/zinc/25/26/20/1205252620.db2.gz RSPQNNKINLSTGT-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287004 1205252626 /nfs/dbraw/zinc/25/26/26/1205252626.db2.gz RSPQNNKINLSTGT-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287004 1205252631 /nfs/dbraw/zinc/25/26/31/1205252631.db2.gz RSPQNNKINLSTGT-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)C1 ZINC001092287004 1205252636 /nfs/dbraw/zinc/25/26/36/1205252636.db2.gz RSPQNNKINLSTGT-LMMKCTJWSA-N 2 1 362.474 0.984 20 0 FCADMP COc1ncccc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523011 1205302964 /nfs/dbraw/zinc/30/29/64/1205302964.db2.gz YDXMDINGPQVDOH-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523011 1205302966 /nfs/dbraw/zinc/30/29/66/1205302966.db2.gz YDXMDINGPQVDOH-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523011 1205302968 /nfs/dbraw/zinc/30/29/68/1205302968.db2.gz YDXMDINGPQVDOH-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523011 1205302971 /nfs/dbraw/zinc/30/29/71/1205302971.db2.gz YDXMDINGPQVDOH-OIISXLGYSA-N 2 1 362.474 0.605 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611523 1205313705 /nfs/dbraw/zinc/31/37/05/1205313705.db2.gz ZEYQNCAODPCBDJ-KYJSFNMBSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H](C)C2)n1 ZINC001092611008 1205319124 /nfs/dbraw/zinc/31/91/24/1205319124.db2.gz DICLUFZTOYZMDV-QGPMSJSTSA-N 2 1 360.506 0.824 20 0 FCADMP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H](C)C2)n1 ZINC001092611008 1205319127 /nfs/dbraw/zinc/31/91/27/1205319127.db2.gz DICLUFZTOYZMDV-QGPMSJSTSA-N 2 1 360.506 0.824 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](C)C1 ZINC001092675029 1205336630 /nfs/dbraw/zinc/33/66/30/1205336630.db2.gz BCDKUOLZQIIABT-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675029 1205336632 /nfs/dbraw/zinc/33/66/32/1205336632.db2.gz BCDKUOLZQIIABT-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](C)C1 ZINC001092675029 1205336634 /nfs/dbraw/zinc/33/66/34/1205336634.db2.gz BCDKUOLZQIIABT-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838790 1205356860 /nfs/dbraw/zinc/35/68/60/1205356860.db2.gz VOOBBCIOMOAEFN-YVVKENRBSA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838790 1205356865 /nfs/dbraw/zinc/35/68/65/1205356865.db2.gz VOOBBCIOMOAEFN-YVVKENRBSA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001092838790 1205356870 /nfs/dbraw/zinc/35/68/70/1205356870.db2.gz VOOBBCIOMOAEFN-YVVKENRBSA-N 2 1 361.446 0.117 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001092838790 1205356873 /nfs/dbraw/zinc/35/68/73/1205356873.db2.gz VOOBBCIOMOAEFN-YVVKENRBSA-N 2 1 361.446 0.117 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220479009 1224886546 /nfs/dbraw/zinc/88/65/46/1224886546.db2.gz UNTAEMVPZPRDSY-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220479009 1224886550 /nfs/dbraw/zinc/88/65/50/1224886550.db2.gz UNTAEMVPZPRDSY-KSZLIROESA-N 2 1 369.506 0.075 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854531 1205936038 /nfs/dbraw/zinc/93/60/38/1205936038.db2.gz NGLCWIYESAZVHO-NVXWUHKLSA-N 2 1 360.502 0.834 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909329 1205939445 /nfs/dbraw/zinc/93/94/45/1205939445.db2.gz HYJFERVNWSELCZ-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909329 1205939446 /nfs/dbraw/zinc/93/94/46/1205939446.db2.gz HYJFERVNWSELCZ-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092909329 1205939447 /nfs/dbraw/zinc/93/94/47/1205939447.db2.gz HYJFERVNWSELCZ-ZACQAIPSSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092964945 1205967130 /nfs/dbraw/zinc/96/71/30/1205967130.db2.gz UTJKZZZRWKHGMS-HYVNUMGLSA-N 2 1 371.489 0.730 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092964945 1205967133 /nfs/dbraw/zinc/96/71/33/1205967133.db2.gz UTJKZZZRWKHGMS-HYVNUMGLSA-N 2 1 371.489 0.730 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085134 1206014716 /nfs/dbraw/zinc/01/47/16/1206014716.db2.gz RAVKZWXDUDGFDR-ZIAGYGMSSA-N 2 1 356.430 0.311 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093085134 1206014720 /nfs/dbraw/zinc/01/47/20/1206014720.db2.gz RAVKZWXDUDGFDR-ZIAGYGMSSA-N 2 1 356.430 0.311 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001093085082 1206015038 /nfs/dbraw/zinc/01/50/38/1206015038.db2.gz PUCQWASPPOPRFW-CPUCHLNUSA-N 2 1 368.441 0.454 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001093085082 1206015043 /nfs/dbraw/zinc/01/50/43/1206015043.db2.gz PUCQWASPPOPRFW-CPUCHLNUSA-N 2 1 368.441 0.454 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133345 1206032265 /nfs/dbraw/zinc/03/22/65/1206032265.db2.gz BZZPPBCSQRXZGD-BZUAXINKSA-N 2 1 358.490 0.545 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212274 1206055274 /nfs/dbraw/zinc/05/52/74/1206055274.db2.gz LQMQTYFEVMEFGB-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212274 1206055278 /nfs/dbraw/zinc/05/52/78/1206055278.db2.gz LQMQTYFEVMEFGB-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093212274 1206055281 /nfs/dbraw/zinc/05/52/81/1206055281.db2.gz LQMQTYFEVMEFGB-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093212274 1206055284 /nfs/dbraw/zinc/05/52/84/1206055284.db2.gz LQMQTYFEVMEFGB-INMHGKMJSA-N 2 1 364.494 0.203 20 0 FCADMP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553636 1224926809 /nfs/dbraw/zinc/92/68/09/1224926809.db2.gz NVSCVYXNLVNWNK-QRQLOZEOSA-N 2 1 361.486 0.940 20 0 FCADMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553636 1224926815 /nfs/dbraw/zinc/92/68/15/1224926815.db2.gz NVSCVYXNLVNWNK-QRQLOZEOSA-N 2 1 361.486 0.940 20 0 FCADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)C1=O ZINC001093280300 1206071394 /nfs/dbraw/zinc/07/13/94/1206071394.db2.gz GCEHKONVKIUWQN-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3[NH+](CC(N)=O)CC34CCC4)CC2)CC[N@H+]1C ZINC001093371474 1206077153 /nfs/dbraw/zinc/07/71/53/1206077153.db2.gz RKTZHEKMVLDTCY-KYJSFNMBSA-N 2 1 362.518 0.905 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3[N@H+](CC(N)=O)CC34CCC4)CC2)CC[NH+]1C ZINC001093371474 1206077156 /nfs/dbraw/zinc/07/71/56/1206077156.db2.gz RKTZHEKMVLDTCY-KYJSFNMBSA-N 2 1 362.518 0.905 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3[N@@H+](CC(N)=O)CC34CCC4)CC2)CC[NH+]1C ZINC001093371474 1206077160 /nfs/dbraw/zinc/07/71/60/1206077160.db2.gz RKTZHEKMVLDTCY-KYJSFNMBSA-N 2 1 362.518 0.905 20 0 FCADMP CC(C)[C@@H]1N(C(=O)CC[NH+]2CCOCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093468958 1206085485 /nfs/dbraw/zinc/08/54/85/1206085485.db2.gz CVTLECDIPPLZMZ-ZAWLATJESA-N 2 1 371.497 0.644 20 0 FCADMP COC[C@H](C)N1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545558 1206091942 /nfs/dbraw/zinc/09/19/42/1206091942.db2.gz KKWVXYOSBIFNJF-HDMKZQKVSA-N 2 1 369.506 0.432 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001093672825 1206099338 /nfs/dbraw/zinc/09/93/38/1206099338.db2.gz FSKPMTAANKYKPP-OAGGEKHMSA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001093691177 1206101050 /nfs/dbraw/zinc/10/10/50/1206101050.db2.gz LDUMHWGFVFUOQH-LZQZEXGQSA-N 2 1 361.486 0.694 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001093691177 1206101052 /nfs/dbraw/zinc/10/10/52/1206101052.db2.gz LDUMHWGFVFUOQH-LZQZEXGQSA-N 2 1 361.486 0.694 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690933 1206101378 /nfs/dbraw/zinc/10/13/78/1206101378.db2.gz JCJRZZBEOPESAT-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690933 1206101382 /nfs/dbraw/zinc/10/13/82/1206101382.db2.gz JCJRZZBEOPESAT-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093822143 1206123877 /nfs/dbraw/zinc/12/38/77/1206123877.db2.gz LNDVULSCPANRNT-KFWWJZLASA-N 2 1 357.462 0.773 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093824412 1206124105 /nfs/dbraw/zinc/12/41/05/1206124105.db2.gz UEDIZLZAUUEHGF-MCIONIFRSA-N 2 1 358.450 0.168 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110153590 1206188303 /nfs/dbraw/zinc/18/83/03/1206188303.db2.gz BPYGBYHANBCTBP-FXUDXRNXSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110153590 1206188310 /nfs/dbraw/zinc/18/83/10/1206188310.db2.gz BPYGBYHANBCTBP-FXUDXRNXSA-N 2 1 362.474 0.389 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001094164948 1206197380 /nfs/dbraw/zinc/19/73/80/1206197380.db2.gz GWBKMCZBKFKOSS-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)no1 ZINC001094219484 1206203312 /nfs/dbraw/zinc/20/33/12/1206203312.db2.gz MIKICGSKHORRMB-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)no1 ZINC001094219484 1206203316 /nfs/dbraw/zinc/20/33/16/1206203316.db2.gz MIKICGSKHORRMB-RBSFLKMASA-N 2 1 365.478 0.394 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001094232321 1206208258 /nfs/dbraw/zinc/20/82/58/1206208258.db2.gz ROCPLEISNCUNRB-OAGGEKHMSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001094232321 1206208262 /nfs/dbraw/zinc/20/82/62/1206208262.db2.gz ROCPLEISNCUNRB-OAGGEKHMSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001094232192 1206208372 /nfs/dbraw/zinc/20/83/72/1206208372.db2.gz OUKNKPKQZILZTM-ZACQAIPSSA-N 2 1 363.506 0.808 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001094232192 1206208374 /nfs/dbraw/zinc/20/83/74/1206208374.db2.gz OUKNKPKQZILZTM-ZACQAIPSSA-N 2 1 363.506 0.808 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)C1 ZINC001094232451 1206208506 /nfs/dbraw/zinc/20/85/06/1206208506.db2.gz WFAVAKTXQHVWFY-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)C1 ZINC001094232451 1206208509 /nfs/dbraw/zinc/20/85/09/1206208509.db2.gz WFAVAKTXQHVWFY-KYJSFNMBSA-N 2 1 361.490 0.690 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001094232191 1206208547 /nfs/dbraw/zinc/20/85/47/1206208547.db2.gz OUKNKPKQZILZTM-BRWVUGGUSA-N 2 1 363.506 0.808 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001094232191 1206208551 /nfs/dbraw/zinc/20/85/51/1206208551.db2.gz OUKNKPKQZILZTM-BRWVUGGUSA-N 2 1 363.506 0.808 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001094241667 1206209583 /nfs/dbraw/zinc/20/95/83/1206209583.db2.gz VUYYURWATSXJRX-RBSFLKMASA-N 2 1 364.494 0.167 20 0 FCADMP COCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474021 1206233551 /nfs/dbraw/zinc/23/35/51/1206233551.db2.gz HGZGKOALDOOIBP-MXPCJUPISA-N 2 1 363.502 0.857 20 0 FCADMP COCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474021 1206233553 /nfs/dbraw/zinc/23/35/53/1206233553.db2.gz HGZGKOALDOOIBP-MXPCJUPISA-N 2 1 363.502 0.857 20 0 FCADMP COCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474021 1206233555 /nfs/dbraw/zinc/23/35/55/1206233555.db2.gz HGZGKOALDOOIBP-MXPCJUPISA-N 2 1 363.502 0.857 20 0 FCADMP O=C(C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12)N1CCC1 ZINC001094560273 1206238696 /nfs/dbraw/zinc/23/86/96/1206238696.db2.gz PNXVWUIARGVJRG-VQIMIIECSA-N 2 1 360.502 0.675 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCN2CCNC2=O)CC3)C1 ZINC001094578384 1206240733 /nfs/dbraw/zinc/24/07/33/1206240733.db2.gz URDVOLKCKSNFBY-FRQCXROJSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCN2CCNC2=O)CC3)C1 ZINC001094578384 1206240736 /nfs/dbraw/zinc/24/07/36/1206240736.db2.gz URDVOLKCKSNFBY-FRQCXROJSA-N 2 1 363.506 0.324 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCN2CCNC2=O)CC3)C1 ZINC001094578384 1206240739 /nfs/dbraw/zinc/24/07/39/1206240739.db2.gz URDVOLKCKSNFBY-FRQCXROJSA-N 2 1 363.506 0.324 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578390 1206240844 /nfs/dbraw/zinc/24/08/44/1206240844.db2.gz UUDVXUFGWAKTEM-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578390 1206240845 /nfs/dbraw/zinc/24/08/45/1206240845.db2.gz UUDVXUFGWAKTEM-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578390 1206240846 /nfs/dbraw/zinc/24/08/46/1206240846.db2.gz UUDVXUFGWAKTEM-MBOZVWFJSA-N 2 1 362.518 0.921 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001094583312 1206241240 /nfs/dbraw/zinc/24/12/40/1206241240.db2.gz PXHMLBMVFDQUBP-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N(C)C)CC3)C1 ZINC001094583312 1206241241 /nfs/dbraw/zinc/24/12/41/1206241241.db2.gz PXHMLBMVFDQUBP-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)C1 ZINC001094583312 1206241242 /nfs/dbraw/zinc/24/12/42/1206241242.db2.gz PXHMLBMVFDQUBP-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)C1 ZINC001094583312 1206241243 /nfs/dbraw/zinc/24/12/43/1206241243.db2.gz PXHMLBMVFDQUBP-GPMSIDNRSA-N 2 1 366.506 0.156 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc(C4=NO[C@@H]5C[NH2+]C[C@H]45)n3)c2)CC1 ZINC001212628573 1206252552 /nfs/dbraw/zinc/25/25/52/1206252552.db2.gz CZTDGNAWKFRASH-JKSUJKDBSA-N 2 1 368.441 0.806 20 0 FCADMP CN1CCCn2nc(C(=O)N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cc2C1 ZINC001175062763 1206298764 /nfs/dbraw/zinc/29/87/64/1206298764.db2.gz ARHHDNMOHFTPMU-CALCHBBNSA-N 2 1 359.474 0.654 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001178527041 1206359093 /nfs/dbraw/zinc/35/90/93/1206359093.db2.gz IIEDEHSXJUAABM-ARFHVFGLSA-N 2 1 366.506 0.788 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001178692250 1206362866 /nfs/dbraw/zinc/36/28/66/1206362866.db2.gz LSYHTVGRDKNOAM-AWEZNQCLSA-N 2 1 363.462 0.335 20 0 FCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001178692250 1206362869 /nfs/dbraw/zinc/36/28/69/1206362869.db2.gz LSYHTVGRDKNOAM-AWEZNQCLSA-N 2 1 363.462 0.335 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCCN(C)C2=O)O1 ZINC001178810598 1206365554 /nfs/dbraw/zinc/36/55/54/1206365554.db2.gz HUTWJCLWTXQNOX-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+][C@H]2CCCN(C)C2=O)O1 ZINC001178810598 1206365557 /nfs/dbraw/zinc/36/55/57/1206365557.db2.gz HUTWJCLWTXQNOX-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCc2cnn(C)c2)O1 ZINC001178811672 1206365623 /nfs/dbraw/zinc/36/56/23/1206365623.db2.gz XTJKTIWUDOKZMN-SJLPKXTDSA-N 2 1 365.522 0.948 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCc2cnn(C)c2)O1 ZINC001178811672 1206365627 /nfs/dbraw/zinc/36/56/27/1206365627.db2.gz XTJKTIWUDOKZMN-SJLPKXTDSA-N 2 1 365.522 0.948 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nncn1C ZINC001178810918 1206365855 /nfs/dbraw/zinc/36/58/55/1206365855.db2.gz OXMUCFXLPFVRCY-BZUAXINKSA-N 2 1 366.510 0.861 20 0 FCADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nncn1C ZINC001178810918 1206365857 /nfs/dbraw/zinc/36/58/57/1206365857.db2.gz OXMUCFXLPFVRCY-BZUAXINKSA-N 2 1 366.510 0.861 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)C3(O)CCOCC3)cn2)CC1 ZINC001178981309 1206367914 /nfs/dbraw/zinc/36/79/14/1206367914.db2.gz FPPFUOURCICJAK-UHFFFAOYSA-N 2 1 363.506 0.886 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cc(C)on3)C2)CC[N@H+]1C ZINC001182692285 1206442417 /nfs/dbraw/zinc/44/24/17/1206442417.db2.gz HAIWNQAZLFRULP-QLFBSQMISA-N 2 1 363.462 0.842 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccccc3)C2)O1 ZINC001183576711 1206456403 /nfs/dbraw/zinc/45/64/03/1206456403.db2.gz PUTRSSVENJAYFT-DJIMGWMZSA-N 2 1 360.458 0.535 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3ccccc3)C2)O1 ZINC001183576711 1206456405 /nfs/dbraw/zinc/45/64/05/1206456405.db2.gz PUTRSSVENJAYFT-DJIMGWMZSA-N 2 1 360.458 0.535 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCCC3)C2)O1 ZINC001183576065 1206456557 /nfs/dbraw/zinc/45/65/57/1206456557.db2.gz BBJYUOAVQFUUTL-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCCC3)C2)O1 ZINC001183576065 1206456559 /nfs/dbraw/zinc/45/65/59/1206456559.db2.gz BBJYUOAVQFUUTL-DJIMGWMZSA-N 2 1 366.506 0.345 20 0 FCADMP COc1cc(C)nc(N(C(=O)[C@H]2C[N@H+](C)CCN2C)C2CC[NH2+]CC2)n1 ZINC001185257341 1206477485 /nfs/dbraw/zinc/47/74/85/1206477485.db2.gz KCINJTMOMHSDJU-OAHLLOKOSA-N 2 1 362.478 0.124 20 0 FCADMP COc1cc(C)nc(N(C(=O)[C@H]2C[N@@H+](C)CCN2C)C2CC[NH2+]CC2)n1 ZINC001185257341 1206477487 /nfs/dbraw/zinc/47/74/87/1206477487.db2.gz KCINJTMOMHSDJU-OAHLLOKOSA-N 2 1 362.478 0.124 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001273510402 1206487208 /nfs/dbraw/zinc/48/72/08/1206487208.db2.gz GCXHQAHMHQLOMR-XLAORIBOSA-N 2 1 360.502 0.624 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039569 1206490849 /nfs/dbraw/zinc/49/08/49/1206490849.db2.gz YIUAIUYABUJUAH-SOLBZPMBSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039569 1206490851 /nfs/dbraw/zinc/49/08/51/1206490851.db2.gz YIUAIUYABUJUAH-SOLBZPMBSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039569 1206490854 /nfs/dbraw/zinc/49/08/54/1206490854.db2.gz YIUAIUYABUJUAH-SOLBZPMBSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039569 1206490856 /nfs/dbraw/zinc/49/08/56/1206490856.db2.gz YIUAIUYABUJUAH-SOLBZPMBSA-N 2 1 363.433 0.556 20 0 FCADMP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642492 1224980293 /nfs/dbraw/zinc/98/02/93/1224980293.db2.gz DKQVQLLQASKNPB-MSOLQXFVSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642492 1224980303 /nfs/dbraw/zinc/98/03/03/1224980303.db2.gz DKQVQLLQASKNPB-MSOLQXFVSA-N 2 1 362.474 0.162 20 0 FCADMP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1)C1CC1 ZINC001188387183 1207448551 /nfs/dbraw/zinc/44/85/51/1207448551.db2.gz BRYZMOLOEFSDDT-XYJFISCASA-N 2 1 371.485 0.504 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001188388461 1207449010 /nfs/dbraw/zinc/44/90/10/1207449010.db2.gz POAXBHCUROUUSQ-YQQAZPJKSA-N 2 1 359.474 0.457 20 0 FCADMP CCOCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610891 1207467057 /nfs/dbraw/zinc/46/70/57/1207467057.db2.gz SLKAQQUHHCICJN-VVJOJPPRSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963767 1207493154 /nfs/dbraw/zinc/49/31/54/1207493154.db2.gz RENLGGZPISYURG-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963767 1207493161 /nfs/dbraw/zinc/49/31/61/1207493161.db2.gz RENLGGZPISYURG-JKSUJKDBSA-N 2 1 366.506 0.014 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969768 1207493249 /nfs/dbraw/zinc/49/32/49/1207493249.db2.gz BFJRRZXJVNMNNW-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189432577 1207550067 /nfs/dbraw/zinc/55/00/67/1207550067.db2.gz FLSYEJRKKSCNHA-YESZJQIVSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189432577 1207550070 /nfs/dbraw/zinc/55/00/70/1207550070.db2.gz FLSYEJRKKSCNHA-YESZJQIVSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189432577 1207550072 /nfs/dbraw/zinc/55/00/72/1207550072.db2.gz FLSYEJRKKSCNHA-YESZJQIVSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001189433841 1207550364 /nfs/dbraw/zinc/55/03/64/1207550364.db2.gz XETHHSVPHRRVKL-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001189433841 1207550378 /nfs/dbraw/zinc/55/03/78/1207550378.db2.gz XETHHSVPHRRVKL-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1nccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189432576 1207550561 /nfs/dbraw/zinc/55/05/61/1207550561.db2.gz FLSYEJRKKSCNHA-GVDBMIGSSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189432576 1207550565 /nfs/dbraw/zinc/55/05/65/1207550565.db2.gz FLSYEJRKKSCNHA-GVDBMIGSSA-N 2 1 359.474 0.783 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189432576 1207550568 /nfs/dbraw/zinc/55/05/68/1207550568.db2.gz FLSYEJRKKSCNHA-GVDBMIGSSA-N 2 1 359.474 0.783 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189471972 1207552052 /nfs/dbraw/zinc/55/20/52/1207552052.db2.gz YMNIOBWSNRYRMX-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189471972 1207552056 /nfs/dbraw/zinc/55/20/56/1207552056.db2.gz YMNIOBWSNRYRMX-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189438606 1207554106 /nfs/dbraw/zinc/55/41/06/1207554106.db2.gz BDZVIGPIWALRFZ-YESZJQIVSA-N 2 1 366.506 0.286 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189438606 1207554111 /nfs/dbraw/zinc/55/41/11/1207554111.db2.gz BDZVIGPIWALRFZ-YESZJQIVSA-N 2 1 366.506 0.286 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786306 1207600185 /nfs/dbraw/zinc/60/01/85/1207600185.db2.gz DAQUJEUOPBIUDY-IXDOHACOSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786306 1207600188 /nfs/dbraw/zinc/60/01/88/1207600188.db2.gz DAQUJEUOPBIUDY-IXDOHACOSA-N 2 1 365.522 0.569 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802086 1207610132 /nfs/dbraw/zinc/61/01/32/1207610132.db2.gz RQHAGVBYZMOGAM-DLBZAZTESA-N 2 1 360.502 0.483 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802086 1207610140 /nfs/dbraw/zinc/61/01/40/1207610140.db2.gz RQHAGVBYZMOGAM-DLBZAZTESA-N 2 1 360.502 0.483 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801666 1207610469 /nfs/dbraw/zinc/61/04/69/1207610469.db2.gz IWMVSPKTDCIXAB-DOTOQJQBSA-N 2 1 364.494 0.217 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801666 1207610470 /nfs/dbraw/zinc/61/04/70/1207610470.db2.gz IWMVSPKTDCIXAB-DOTOQJQBSA-N 2 1 364.494 0.217 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802317 1207610894 /nfs/dbraw/zinc/61/08/94/1207610894.db2.gz UBZHEJDWDPVWDQ-YESZJQIVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802317 1207610895 /nfs/dbraw/zinc/61/08/95/1207610895.db2.gz UBZHEJDWDPVWDQ-YESZJQIVSA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189850928 1207617804 /nfs/dbraw/zinc/61/78/04/1207617804.db2.gz BJPVVWZUTBZAFJ-RCCFBDPRSA-N 2 1 363.506 0.509 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001190246338 1207667661 /nfs/dbraw/zinc/66/76/61/1207667661.db2.gz ATONQWFMAFFFJK-IXDOHACOSA-N 2 1 367.538 0.957 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCNC(=O)NC(C)C)C2)CC[NH+]1C ZINC001190246338 1207667664 /nfs/dbraw/zinc/66/76/64/1207667664.db2.gz ATONQWFMAFFFJK-IXDOHACOSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001190363372 1207680891 /nfs/dbraw/zinc/68/08/91/1207680891.db2.gz IIHFKYUPOXYYGI-JKSUJKDBSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001190363372 1207680897 /nfs/dbraw/zinc/68/08/97/1207680897.db2.gz IIHFKYUPOXYYGI-JKSUJKDBSA-N 2 1 367.538 0.957 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001190363372 1207680904 /nfs/dbraw/zinc/68/09/04/1207680904.db2.gz IIHFKYUPOXYYGI-JKSUJKDBSA-N 2 1 367.538 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001193102051 1207858345 /nfs/dbraw/zinc/85/83/45/1207858345.db2.gz BXOLRZYIOQUEJG-NXWXRZEISA-N 2 1 361.486 0.705 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745022 1207887436 /nfs/dbraw/zinc/88/74/36/1207887436.db2.gz BGZPSAMFEKPSNY-SJLPKXTDSA-N 2 1 360.502 0.898 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745022 1207887438 /nfs/dbraw/zinc/88/74/38/1207887438.db2.gz BGZPSAMFEKPSNY-SJLPKXTDSA-N 2 1 360.502 0.898 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001193746877 1207889716 /nfs/dbraw/zinc/88/97/16/1207889716.db2.gz SNVVOCZWYIQAOD-QZTJIDSGSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001193746877 1207889720 /nfs/dbraw/zinc/88/97/20/1207889720.db2.gz SNVVOCZWYIQAOD-QZTJIDSGSA-N 2 1 361.486 0.979 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273666304 1207894310 /nfs/dbraw/zinc/89/43/10/1207894310.db2.gz JYKBWSMELYGIMT-UHFFFAOYSA-N 2 1 363.462 0.335 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001193902816 1207898451 /nfs/dbraw/zinc/89/84/51/1207898451.db2.gz YEWMHADFGAWRKI-RCCFBDPRSA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001193902816 1207898453 /nfs/dbraw/zinc/89/84/53/1207898453.db2.gz YEWMHADFGAWRKI-RCCFBDPRSA-N 2 1 363.506 0.481 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001193902816 1207898454 /nfs/dbraw/zinc/89/84/54/1207898454.db2.gz YEWMHADFGAWRKI-RCCFBDPRSA-N 2 1 363.506 0.481 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243637 1207926659 /nfs/dbraw/zinc/92/66/59/1207926659.db2.gz AZWLTMQMPNZFOJ-RCCFBDPRSA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243637 1207926662 /nfs/dbraw/zinc/92/66/62/1207926662.db2.gz AZWLTMQMPNZFOJ-RCCFBDPRSA-N 2 1 363.502 0.482 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001194243637 1207926665 /nfs/dbraw/zinc/92/66/65/1207926665.db2.gz AZWLTMQMPNZFOJ-RCCFBDPRSA-N 2 1 363.502 0.482 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289169 1207934420 /nfs/dbraw/zinc/93/44/20/1207934420.db2.gz AVTWBTFQAZXFIF-QZTJIDSGSA-N 2 1 362.474 0.638 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290377 1207935457 /nfs/dbraw/zinc/93/54/57/1207935457.db2.gz ULRKJKQQADJFKG-QZTJIDSGSA-N 2 1 364.490 0.884 20 0 FCADMP CC(C)(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831425 1207977822 /nfs/dbraw/zinc/97/78/22/1207977822.db2.gz CZBCCVNERCPXIO-LUJDSPJVSA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831425 1207977824 /nfs/dbraw/zinc/97/78/24/1207977824.db2.gz CZBCCVNERCPXIO-LUJDSPJVSA-N 2 1 365.518 0.837 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001195013908 1207985546 /nfs/dbraw/zinc/98/55/46/1207985546.db2.gz NCDHCJXRKRCOBP-HKUYNNGSSA-N 2 1 361.486 0.361 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001195013908 1207985548 /nfs/dbraw/zinc/98/55/48/1207985548.db2.gz NCDHCJXRKRCOBP-HKUYNNGSSA-N 2 1 361.486 0.361 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006919 1207989112 /nfs/dbraw/zinc/98/91/12/1207989112.db2.gz SSEZIMWZACWWDZ-IAGOWNOFSA-N 2 1 363.506 0.654 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006919 1207989115 /nfs/dbraw/zinc/98/91/15/1207989115.db2.gz SSEZIMWZACWWDZ-IAGOWNOFSA-N 2 1 363.506 0.654 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724977 1225035860 /nfs/dbraw/zinc/03/58/60/1225035860.db2.gz KJEKUBMGDIHJOR-MJGOQNOKSA-N 2 1 372.513 0.545 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220724977 1225035871 /nfs/dbraw/zinc/03/58/71/1225035871.db2.gz KJEKUBMGDIHJOR-MJGOQNOKSA-N 2 1 372.513 0.545 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195641205 1208030813 /nfs/dbraw/zinc/03/08/13/1208030813.db2.gz ZNOZRJVNJUINNC-KBAYOESNSA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195641205 1208030816 /nfs/dbraw/zinc/03/08/16/1208030816.db2.gz ZNOZRJVNJUINNC-KBAYOESNSA-N 2 1 364.490 0.732 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196132434 1208057191 /nfs/dbraw/zinc/05/71/91/1208057191.db2.gz RNCBUBBBHHANHV-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)[NH+](CC)CC ZINC001196132434 1208057195 /nfs/dbraw/zinc/05/71/95/1208057195.db2.gz RNCBUBBBHHANHV-IXDOHACOSA-N 2 1 368.522 0.281 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196122481 1208059491 /nfs/dbraw/zinc/05/94/91/1208059491.db2.gz CISZNXBZQIEQAI-CEXWTWQISA-N 2 1 363.502 0.961 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196122481 1208059494 /nfs/dbraw/zinc/05/94/94/1208059494.db2.gz CISZNXBZQIEQAI-CEXWTWQISA-N 2 1 363.502 0.961 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO[C@H]3CCOC3)C[C@H]2O)C1 ZINC001196185478 1208060250 /nfs/dbraw/zinc/06/02/50/1208060250.db2.gz VSNLHBZNUFQJTN-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2O)C1 ZINC001196185478 1208060257 /nfs/dbraw/zinc/06/02/57/1208060257.db2.gz VSNLHBZNUFQJTN-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)C1 ZINC001196185478 1208060261 /nfs/dbraw/zinc/06/02/61/1208060261.db2.gz VSNLHBZNUFQJTN-GVDBMIGSSA-N 2 1 369.506 0.075 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001196169546 1208062887 /nfs/dbraw/zinc/06/28/87/1208062887.db2.gz UWAVJPJCJWCLJU-CGTJXYLNSA-N 2 1 364.490 0.732 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196169546 1208062889 /nfs/dbraw/zinc/06/28/89/1208062889.db2.gz UWAVJPJCJWCLJU-CGTJXYLNSA-N 2 1 364.490 0.732 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196207605 1208066220 /nfs/dbraw/zinc/06/62/20/1208066220.db2.gz RQEBNAZKGTVDLB-IAGOWNOFSA-N 2 1 365.522 0.585 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196207605 1208066223 /nfs/dbraw/zinc/06/62/23/1208066223.db2.gz RQEBNAZKGTVDLB-IAGOWNOFSA-N 2 1 365.522 0.585 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cn1 ZINC001196207605 1208066227 /nfs/dbraw/zinc/06/62/27/1208066227.db2.gz RQEBNAZKGTVDLB-IAGOWNOFSA-N 2 1 365.522 0.585 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cn1 ZINC001196207605 1208066230 /nfs/dbraw/zinc/06/62/30/1208066230.db2.gz RQEBNAZKGTVDLB-IAGOWNOFSA-N 2 1 365.522 0.585 20 0 FCADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826823 1208111290 /nfs/dbraw/zinc/11/12/90/1208111290.db2.gz JVTPNNHHABSJMO-BMGDILEWSA-N 2 1 364.490 0.956 20 0 FCADMP CCN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001197139310 1208137668 /nfs/dbraw/zinc/13/76/68/1208137668.db2.gz LEYMLQKHDIUGQI-GVDBMIGSSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001197493617 1208172181 /nfs/dbraw/zinc/17/21/81/1208172181.db2.gz UTEGXNWUMZIQPO-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001197493617 1208172182 /nfs/dbraw/zinc/17/21/82/1208172182.db2.gz UTEGXNWUMZIQPO-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001197493617 1208172183 /nfs/dbraw/zinc/17/21/83/1208172183.db2.gz UTEGXNWUMZIQPO-RTBURBONSA-N 2 1 371.485 0.875 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197723017 1208190416 /nfs/dbraw/zinc/19/04/16/1208190416.db2.gz CIKRWSKVXQNSQK-IAGOWNOFSA-N 2 1 366.510 0.342 20 0 FCADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001197723017 1208190417 /nfs/dbraw/zinc/19/04/17/1208190417.db2.gz CIKRWSKVXQNSQK-IAGOWNOFSA-N 2 1 366.510 0.342 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1O ZINC001197826342 1208201677 /nfs/dbraw/zinc/20/16/77/1208201677.db2.gz SWMLUQPJVWSTIY-KZNAEPCWSA-N 2 1 365.449 0.553 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1O ZINC001197826342 1208201682 /nfs/dbraw/zinc/20/16/82/1208201682.db2.gz SWMLUQPJVWSTIY-KZNAEPCWSA-N 2 1 365.449 0.553 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cn1 ZINC001198729681 1208284298 /nfs/dbraw/zinc/28/42/98/1208284298.db2.gz WTQGEBSOAWYNHS-QZTJIDSGSA-N 2 1 363.506 0.390 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095357 1208317738 /nfs/dbraw/zinc/31/77/38/1208317738.db2.gz HUICRVIRUYBASX-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[NH+]1CCCCC1 ZINC001199095357 1208317742 /nfs/dbraw/zinc/31/77/42/1208317742.db2.gz HUICRVIRUYBASX-KZNAEPCWSA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001199104383 1208318765 /nfs/dbraw/zinc/31/87/65/1208318765.db2.gz LISBHXRBRJQYMI-HZPDHXFCSA-N 2 1 363.458 0.459 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001199104855 1208318838 /nfs/dbraw/zinc/31/88/38/1208318838.db2.gz VZFFAMGWUPKOLQ-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001199104855 1208318842 /nfs/dbraw/zinc/31/88/42/1208318842.db2.gz VZFFAMGWUPKOLQ-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001199104855 1208318844 /nfs/dbraw/zinc/31/88/44/1208318844.db2.gz VZFFAMGWUPKOLQ-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001199104855 1208318847 /nfs/dbraw/zinc/31/88/47/1208318847.db2.gz VZFFAMGWUPKOLQ-RTBURBONSA-N 2 1 371.485 0.874 20 0 FCADMP CC(C)CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(C)C ZINC001199104803 1208318863 /nfs/dbraw/zinc/31/88/63/1208318863.db2.gz TUPXKOCVXJKYTI-IAGOWNOFSA-N 2 1 370.538 0.381 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001199111772 1208321301 /nfs/dbraw/zinc/32/13/01/1208321301.db2.gz LLKFORBJACJEEY-RCCFBDPRSA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001199111772 1208321303 /nfs/dbraw/zinc/32/13/03/1208321303.db2.gz LLKFORBJACJEEY-RCCFBDPRSA-N 2 1 367.465 0.231 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112077 1208322550 /nfs/dbraw/zinc/32/25/50/1208322550.db2.gz ZZNWGPONNHFYMM-IPMKNSEASA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112077 1208322551 /nfs/dbraw/zinc/32/25/51/1208322551.db2.gz ZZNWGPONNHFYMM-IPMKNSEASA-N 2 1 363.502 0.482 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199112077 1208322554 /nfs/dbraw/zinc/32/25/54/1208322554.db2.gz ZZNWGPONNHFYMM-IPMKNSEASA-N 2 1 363.502 0.482 20 0 FCADMP Cc1cc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)CCCn3ccnc3)C2)n1 ZINC001199397961 1208344304 /nfs/dbraw/zinc/34/43/04/1208344304.db2.gz GCTQPYYSVMLVGF-IAGOWNOFSA-N 2 1 360.462 0.338 20 0 FCADMP Cc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764549 1225060318 /nfs/dbraw/zinc/06/03/18/1225060318.db2.gz OOLISNKVIAFLPF-MOPGFXCFSA-N 2 1 363.502 0.667 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001220768316 1225062481 /nfs/dbraw/zinc/06/24/81/1225062481.db2.gz GPWCCCDICLFRRI-MSOLQXFVSA-N 2 1 360.458 0.407 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220802512 1225081577 /nfs/dbraw/zinc/08/15/77/1225081577.db2.gz YQZTYXKQOIJWMD-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220802512 1225081578 /nfs/dbraw/zinc/08/15/78/1225081578.db2.gz YQZTYXKQOIJWMD-KURKYZTESA-N 2 1 367.465 0.752 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279172 1208756141 /nfs/dbraw/zinc/75/61/41/1208756141.db2.gz JMXKJFLDESHGMC-YESZJQIVSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279172 1208756143 /nfs/dbraw/zinc/75/61/43/1208756143.db2.gz JMXKJFLDESHGMC-YESZJQIVSA-N 2 1 364.534 0.975 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279172 1208756145 /nfs/dbraw/zinc/75/61/45/1208756145.db2.gz JMXKJFLDESHGMC-YESZJQIVSA-N 2 1 364.534 0.975 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001489391651 1208812031 /nfs/dbraw/zinc/81/20/31/1208812031.db2.gz DODPGQJKYNHYQM-HZPDHXFCSA-N 2 1 365.478 0.001 20 0 FCADMP CCOC(=O)C1=C(NC(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[NH2+]C1 ZINC001220836516 1225098793 /nfs/dbraw/zinc/09/87/93/1225098793.db2.gz PWXGIOPSEYCUBE-OAHLLOKOSA-N 2 1 359.426 0.403 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001489625737 1209057257 /nfs/dbraw/zinc/05/72/57/1209057257.db2.gz GSGKQVVOQDKWSP-SJORKVTESA-N 2 1 368.522 0.282 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001489663400 1209077994 /nfs/dbraw/zinc/07/79/94/1209077994.db2.gz ZMFGRYJEPOWSMG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001489663400 1209077996 /nfs/dbraw/zinc/07/79/96/1209077996.db2.gz ZMFGRYJEPOWSMG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001489663400 1209077999 /nfs/dbraw/zinc/07/79/99/1209077999.db2.gz ZMFGRYJEPOWSMG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001489663400 1209078001 /nfs/dbraw/zinc/07/80/01/1209078001.db2.gz ZMFGRYJEPOWSMG-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1=O)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220872582 1225118406 /nfs/dbraw/zinc/11/84/06/1225118406.db2.gz ZQXNJWNLONMZLS-UHFFFAOYSA-N 2 1 354.454 0.253 20 0 FCADMP Cc1ccc(C2(CC(=O)NCCN3CC[NH2+]CC3=O)CC[NH2+]CC2)cc1 ZINC001220874840 1225119553 /nfs/dbraw/zinc/11/95/53/1225119553.db2.gz NYNSAYLINJXTHD-UHFFFAOYSA-N 2 1 358.486 0.554 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000850682374 1209480842 /nfs/dbraw/zinc/48/08/42/1209480842.db2.gz PCKQZXHIDHDNGW-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000851883631 1209523292 /nfs/dbraw/zinc/52/32/92/1209523292.db2.gz WSZLQKQAEMYIRJ-YVWKXTFCSA-N 2 1 360.502 0.317 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOCCN3CCCC3=O)CC2)CC1 ZINC000856044297 1209692998 /nfs/dbraw/zinc/69/29/98/1209692998.db2.gz GYMZJBWVSAZKEC-UHFFFAOYSA-N 2 1 366.506 0.853 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000857102358 1209741230 /nfs/dbraw/zinc/74/12/30/1209741230.db2.gz NXSFHOWUIQZUHO-BEFAXECRSA-N 2 1 368.441 0.532 20 0 FCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718061 1209742223 /nfs/dbraw/zinc/74/22/23/1209742223.db2.gz WVYDZBQGXPYNAO-VQHPVUNQSA-N 2 1 369.506 0.074 20 0 FCADMP [NH3+]Cc1ncc(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)s1 ZINC001220970608 1225166030 /nfs/dbraw/zinc/16/60/30/1225166030.db2.gz GSSDJIQFVVGAEB-UHFFFAOYSA-N 2 1 373.482 0.852 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000861574422 1209871668 /nfs/dbraw/zinc/87/16/68/1209871668.db2.gz UKCVNLDTCJEHQO-PBHICJAKSA-N 2 1 361.490 0.873 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861759096 1209880271 /nfs/dbraw/zinc/88/02/71/1209880271.db2.gz MEZSILOFQPVSHO-ZMSDIMECSA-N 2 1 362.474 0.198 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861759096 1209880272 /nfs/dbraw/zinc/88/02/72/1209880272.db2.gz MEZSILOFQPVSHO-ZMSDIMECSA-N 2 1 362.474 0.198 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C ZINC001110817057 1209910138 /nfs/dbraw/zinc/91/01/38/1209910138.db2.gz KNONSZMFCHJGJQ-TVFCKZIOSA-N 2 1 364.490 0.947 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(C)C ZINC001110817057 1209910145 /nfs/dbraw/zinc/91/01/45/1209910145.db2.gz KNONSZMFCHJGJQ-TVFCKZIOSA-N 2 1 364.490 0.947 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](F)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000865894326 1209987357 /nfs/dbraw/zinc/98/73/57/1209987357.db2.gz KORUWSRYZSFXGN-FVQHAEBGSA-N 2 1 370.513 0.925 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H](F)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000865894326 1209987361 /nfs/dbraw/zinc/98/73/61/1209987361.db2.gz KORUWSRYZSFXGN-FVQHAEBGSA-N 2 1 370.513 0.925 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H](F)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000865894326 1209987364 /nfs/dbraw/zinc/98/73/64/1209987364.db2.gz KORUWSRYZSFXGN-FVQHAEBGSA-N 2 1 370.513 0.925 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220994242 1225179172 /nfs/dbraw/zinc/17/91/72/1225179172.db2.gz IAWVJBKGRLJFMC-SJORKVTESA-N 2 1 366.506 0.036 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220994242 1225179177 /nfs/dbraw/zinc/17/91/77/1225179177.db2.gz IAWVJBKGRLJFMC-SJORKVTESA-N 2 1 366.506 0.036 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000868283019 1210048847 /nfs/dbraw/zinc/04/88/47/1210048847.db2.gz NLVJBVICIUBVID-CALCHBBNSA-N 2 1 371.485 0.730 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221010183 1225184996 /nfs/dbraw/zinc/18/49/96/1225184996.db2.gz AXTRPZMCCCCBCQ-ROUUACIJSA-N 2 1 372.513 0.734 20 0 FCADMP [NH3+][C@H]1CC[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000870876460 1210120965 /nfs/dbraw/zinc/12/09/65/1210120965.db2.gz CJHKEYKJJCADBI-HDICACEKSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000888680434 1210393693 /nfs/dbraw/zinc/39/36/93/1210393693.db2.gz KOBNEDHHRCSADS-PBHICJAKSA-N 2 1 359.474 0.935 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000888680434 1210393695 /nfs/dbraw/zinc/39/36/95/1210393695.db2.gz KOBNEDHHRCSADS-PBHICJAKSA-N 2 1 359.474 0.935 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221073191 1225209534 /nfs/dbraw/zinc/20/95/34/1225209534.db2.gz KLVMSGBMOZSLDF-KURKYZTESA-N 2 1 369.506 0.219 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1ccccc1 ZINC001221095174 1225219355 /nfs/dbraw/zinc/21/93/55/1225219355.db2.gz ADDRKDNCEZIKGY-QYZOEREBSA-N 2 1 361.486 0.877 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)c1ccccc1 ZINC001221095174 1225219360 /nfs/dbraw/zinc/21/93/60/1225219360.db2.gz ADDRKDNCEZIKGY-QYZOEREBSA-N 2 1 361.486 0.877 20 0 FCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426498 1210666051 /nfs/dbraw/zinc/66/60/51/1210666051.db2.gz SBDKWDKPZPVHMF-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426498 1210666059 /nfs/dbraw/zinc/66/60/59/1210666059.db2.gz SBDKWDKPZPVHMF-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426501 1210666299 /nfs/dbraw/zinc/66/62/99/1210666299.db2.gz SBDKWDKPZPVHMF-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000883426501 1210666306 /nfs/dbraw/zinc/66/63/06/1210666306.db2.gz SBDKWDKPZPVHMF-SJORKVTESA-N 2 1 360.506 0.986 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000883604051 1210673276 /nfs/dbraw/zinc/67/32/76/1210673276.db2.gz LHAVKOHAQMGCIT-KRWDZBQOSA-N 2 1 357.458 0.341 20 0 FCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883606628 1210673906 /nfs/dbraw/zinc/67/39/06/1210673906.db2.gz XZTWRYMWHAKIDT-MSOLQXFVSA-N 2 1 371.485 0.859 20 0 FCADMP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883607427 1210674583 /nfs/dbraw/zinc/67/45/83/1210674583.db2.gz UWYMFYQYTZXOHX-ROUUACIJSA-N 2 1 371.485 0.763 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000883654036 1210680411 /nfs/dbraw/zinc/68/04/11/1210680411.db2.gz QORXRIUWTXLQEV-HNNXBMFYSA-N 2 1 368.522 0.410 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000883654036 1210680412 /nfs/dbraw/zinc/68/04/12/1210680412.db2.gz QORXRIUWTXLQEV-HNNXBMFYSA-N 2 1 368.522 0.410 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000883657105 1210682246 /nfs/dbraw/zinc/68/22/46/1210682246.db2.gz RTEMUGWWBVEIBE-KRWDZBQOSA-N 2 1 362.474 0.578 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000883659708 1210682799 /nfs/dbraw/zinc/68/27/99/1210682799.db2.gz PYYURFQWVMNXFA-QGZVFWFLSA-N 2 1 362.518 0.921 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000883727927 1210686095 /nfs/dbraw/zinc/68/60/95/1210686095.db2.gz FWCIFCQQTBHROI-INIZCTEOSA-N 2 1 365.522 0.986 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCN1c1cc[nH+]cc1 ZINC000883792061 1210690416 /nfs/dbraw/zinc/69/04/16/1210690416.db2.gz GXGHMKZDSCDGBM-WBVHZDCISA-N 2 1 374.489 0.642 20 0 FCADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202588377 1210704814 /nfs/dbraw/zinc/70/48/14/1210704814.db2.gz GFUVFQHMJSRWGD-MSOLQXFVSA-N 2 1 358.486 0.658 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884180247 1210719659 /nfs/dbraw/zinc/71/96/59/1210719659.db2.gz RAOBZYZJQUPBKU-KRWDZBQOSA-N 2 1 361.490 0.578 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884188751 1210721030 /nfs/dbraw/zinc/72/10/30/1210721030.db2.gz ORCKYUDBAACMDZ-MRXNPFEDSA-N 2 1 357.458 0.318 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884191130 1210721148 /nfs/dbraw/zinc/72/11/48/1210721148.db2.gz WURUDZHEWNZBSL-MRXNPFEDSA-N 2 1 357.458 0.364 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000884211431 1210723570 /nfs/dbraw/zinc/72/35/70/1210723570.db2.gz DHSPGBDPIJUOQY-IAGOWNOFSA-N 2 1 359.474 0.162 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000884252452 1210726522 /nfs/dbraw/zinc/72/65/22/1210726522.db2.gz KNDAKFBSJMUEOX-INIZCTEOSA-N 2 1 360.458 0.321 20 0 FCADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000884277950 1210727768 /nfs/dbraw/zinc/72/77/68/1210727768.db2.gz YREUFIVNOMKPBL-KRWDZBQOSA-N 2 1 352.442 0.673 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)c1 ZINC000884331518 1210730795 /nfs/dbraw/zinc/73/07/95/1210730795.db2.gz PYVQNWQQORMGDC-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)c1 ZINC000884331518 1210730797 /nfs/dbraw/zinc/73/07/97/1210730797.db2.gz PYVQNWQQORMGDC-OAHLLOKOSA-N 2 1 363.458 0.994 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884513415 1210741897 /nfs/dbraw/zinc/74/18/97/1210741897.db2.gz IEUBZKDGLUMUHV-WAOWUJCRSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000884522846 1210744750 /nfs/dbraw/zinc/74/47/50/1210744750.db2.gz JOCLHGLEIJNIOC-FYINFDKHSA-N 2 1 370.497 0.617 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000884522846 1210744760 /nfs/dbraw/zinc/74/47/60/1210744760.db2.gz JOCLHGLEIJNIOC-FYINFDKHSA-N 2 1 370.497 0.617 20 0 FCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000884560209 1210752187 /nfs/dbraw/zinc/75/21/87/1210752187.db2.gz QPZPBEQIBBOEAE-DOXZYTNZSA-N 2 1 366.506 0.189 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884570151 1210753698 /nfs/dbraw/zinc/75/36/98/1210753698.db2.gz ILKFFCGDMDJKGW-SFHVURJKSA-N 2 1 369.469 0.919 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884576424 1210754447 /nfs/dbraw/zinc/75/44/47/1210754447.db2.gz HIIAFXOLAFHVBK-AEFFLSMTSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884571959 1210754630 /nfs/dbraw/zinc/75/46/30/1210754630.db2.gz BTMPNXYBBNJMMV-LULLPPNCSA-N 2 1 370.497 0.976 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884603118 1210759734 /nfs/dbraw/zinc/75/97/34/1210759734.db2.gz BYOSYGBJNJGIHX-KXBFYZLASA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604991 1210760779 /nfs/dbraw/zinc/76/07/79/1210760779.db2.gz SRTBIZOBTLPTPT-DZJNRPSUSA-N 2 1 356.470 0.586 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000884604765 1210761406 /nfs/dbraw/zinc/76/14/06/1210761406.db2.gz OHIIAUAGZYBFBT-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884603160 1210761444 /nfs/dbraw/zinc/76/14/44/1210761444.db2.gz CPWPXHLPMKUNFQ-QGZVFWFLSA-N 2 1 374.485 0.176 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884645955 1210772385 /nfs/dbraw/zinc/77/23/85/1210772385.db2.gz BDJZIARNHQXLGY-DZJNRPSUSA-N 2 1 356.470 0.728 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000884661570 1210774094 /nfs/dbraw/zinc/77/40/94/1210774094.db2.gz VEVKDMVTCMGTSO-SJORKVTESA-N 2 1 362.449 0.727 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000884688439 1210781226 /nfs/dbraw/zinc/78/12/26/1210781226.db2.gz CIZSJCUDTYZDNT-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000884688439 1210781229 /nfs/dbraw/zinc/78/12/29/1210781229.db2.gz CIZSJCUDTYZDNT-ZWKOTPCHSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@]12CN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000884706467 1210784661 /nfs/dbraw/zinc/78/46/61/1210784661.db2.gz CXXATYKBWCUZBJ-WAOWUJCRSA-N 2 1 370.497 0.820 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000884706490 1210784709 /nfs/dbraw/zinc/78/47/09/1210784709.db2.gz DXJNNGMGXHCGEE-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000884706490 1210784714 /nfs/dbraw/zinc/78/47/14/1210784714.db2.gz DXJNNGMGXHCGEE-ROUUACIJSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000884708510 1210785461 /nfs/dbraw/zinc/78/54/61/1210785461.db2.gz BXKCVMHPCRZFTH-MRXNPFEDSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000884708510 1210785472 /nfs/dbraw/zinc/78/54/72/1210785472.db2.gz BXKCVMHPCRZFTH-MRXNPFEDSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000884721696 1210788776 /nfs/dbraw/zinc/78/87/76/1210788776.db2.gz RALZOVYHOYIXBE-SFHVURJKSA-N 2 1 356.470 0.721 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000884724298 1210789848 /nfs/dbraw/zinc/78/98/48/1210789848.db2.gz OTXFFRNFKBAPJW-SQNIBIBYSA-N 2 1 358.486 0.929 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000884724295 1210790014 /nfs/dbraw/zinc/79/00/14/1210790014.db2.gz OTXFFRNFKBAPJW-BZSNNMDCSA-N 2 1 358.486 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884789853 1210795729 /nfs/dbraw/zinc/79/57/29/1210795729.db2.gz DOSPPGFLKFMTRE-XTIMDLJNSA-N 2 1 370.497 0.739 20 0 FCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)C1 ZINC000884787525 1210796465 /nfs/dbraw/zinc/79/64/65/1210796465.db2.gz VBAIQTKUPIGIOC-SJLPKXTDSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)C1 ZINC000884787525 1210796472 /nfs/dbraw/zinc/79/64/72/1210796472.db2.gz VBAIQTKUPIGIOC-SJLPKXTDSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884832839 1210799853 /nfs/dbraw/zinc/79/98/53/1210799853.db2.gz AWKYQRYPKNKFKL-XYJFISCASA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884833003 1210800159 /nfs/dbraw/zinc/80/01/59/1210800159.db2.gz DVGQQFNNXRDSRA-NQYYFHDYSA-N 2 1 370.497 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884835375 1210800283 /nfs/dbraw/zinc/80/02/83/1210800283.db2.gz QHDGQYDRMWKGJX-NJAFHUGGSA-N 2 1 358.486 0.678 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000884834967 1210800486 /nfs/dbraw/zinc/80/04/86/1210800486.db2.gz ICDQRBVZHFFLKF-BPQIPLTHSA-N 2 1 358.486 0.691 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838229 1210800813 /nfs/dbraw/zinc/80/08/13/1210800813.db2.gz FFAIKDQUSIMFQF-INIZCTEOSA-N 2 1 358.486 0.938 20 0 FCADMP CN(C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884847892 1210801090 /nfs/dbraw/zinc/80/10/90/1210801090.db2.gz LGFHMDZSDOJSMG-QGZVFWFLSA-N 2 1 356.470 0.644 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)CC[C@H]21 ZINC000884895787 1210803357 /nfs/dbraw/zinc/80/33/57/1210803357.db2.gz NJLXRUNAJTYVIJ-KZNAEPCWSA-N 2 1 358.486 0.615 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971457 1210806052 /nfs/dbraw/zinc/80/60/52/1210806052.db2.gz BTLYQXJABNWXTK-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884971457 1210806053 /nfs/dbraw/zinc/80/60/53/1210806053.db2.gz BTLYQXJABNWXTK-CABCVRRESA-N 2 1 368.522 0.184 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000884983094 1210806787 /nfs/dbraw/zinc/80/67/87/1210806787.db2.gz NUPBKOLYNRZZAX-GHTZIAJQSA-N 2 1 370.497 0.898 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)c1 ZINC000885019046 1210808962 /nfs/dbraw/zinc/80/89/62/1210808962.db2.gz YBANMQLDUKTLJU-ZWKOTPCHSA-N 2 1 374.485 0.119 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)c1 ZINC000885019046 1210808965 /nfs/dbraw/zinc/80/89/65/1210808965.db2.gz YBANMQLDUKTLJU-ZWKOTPCHSA-N 2 1 374.485 0.119 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150412 1210812683 /nfs/dbraw/zinc/81/26/83/1210812683.db2.gz VRFFSLNTLLSEJB-HZPDHXFCSA-N 2 1 366.506 0.202 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153880 1210812861 /nfs/dbraw/zinc/81/28/61/1210812861.db2.gz MTIFQMFPZBYGHJ-YJBOKZPZSA-N 2 1 358.486 0.665 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885156067 1210813386 /nfs/dbraw/zinc/81/33/86/1210813386.db2.gz KORRKRDZPUHGOT-OTWHNJEPSA-N 2 1 370.497 0.902 20 0 FCADMP CCN(C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887067934 1210845104 /nfs/dbraw/zinc/84/51/04/1210845104.db2.gz BYZAPWITFODNBW-ROUUACIJSA-N 2 1 358.486 0.930 20 0 FCADMP [NH3+][C@@H]1CCCN(Cc2cn(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451472 1210858596 /nfs/dbraw/zinc/85/85/96/1210858596.db2.gz NHTFQVVDSPNLPL-UYAOXDASSA-N 2 1 370.501 0.838 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274083950 1210876134 /nfs/dbraw/zinc/87/61/34/1210876134.db2.gz OBBAGPPGWKMDGF-JXXFODFXSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000887632301 1210884011 /nfs/dbraw/zinc/88/40/11/1210884011.db2.gz KBAHBUJXRVNGPC-HZPDHXFCSA-N 2 1 369.510 0.105 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274180274 1210906279 /nfs/dbraw/zinc/90/62/79/1210906279.db2.gz VUNPVPXBTROLRO-WBVHZDCISA-N 2 1 362.518 0.777 20 0 FCADMP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274203769 1210911516 /nfs/dbraw/zinc/91/15/16/1210911516.db2.gz PCMJRWTZRAOHBG-LJQANCHMSA-N 2 1 366.550 0.709 20 0 FCADMP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274203769 1210911518 /nfs/dbraw/zinc/91/15/18/1210911518.db2.gz PCMJRWTZRAOHBG-LJQANCHMSA-N 2 1 366.550 0.709 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000889805654 1210954658 /nfs/dbraw/zinc/95/46/58/1210954658.db2.gz QVYVZHLHXOMPLF-MAUKXSAKSA-N 2 1 373.501 0.976 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001274419399 1211049839 /nfs/dbraw/zinc/04/98/39/1211049839.db2.gz SHVWUQTWFJKIAT-FXAWDEMLSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](C)CCN1CC2(C1)CCN(C(=O)CCCN1CC[NH+](C)CC1)CC2 ZINC001274514601 1211071639 /nfs/dbraw/zinc/07/16/39/1211071639.db2.gz KZWJHRVNWZEZBE-UHFFFAOYSA-N 2 1 365.566 0.500 20 0 FCADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068638 1211173419 /nfs/dbraw/zinc/17/34/19/1211173419.db2.gz JTKWMASBEHORPG-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068638 1211173421 /nfs/dbraw/zinc/17/34/21/1211173421.db2.gz JTKWMASBEHORPG-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275068638 1211173426 /nfs/dbraw/zinc/17/34/26/1211173426.db2.gz JTKWMASBEHORPG-QUCCMNQESA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)C[C@@]3(CCC[N@@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123898 1211176577 /nfs/dbraw/zinc/17/65/77/1211176577.db2.gz STKCCQXGMUFOPD-HXUWFJFHSA-N 2 1 362.518 0.875 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)C[C@@]3(CCC[N@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123898 1211176578 /nfs/dbraw/zinc/17/65/78/1211176578.db2.gz STKCCQXGMUFOPD-HXUWFJFHSA-N 2 1 362.518 0.875 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)C[C@@]3(CCC[N@@H+](CC4CC4)C3)C2=O)CC1 ZINC001275123898 1211176582 /nfs/dbraw/zinc/17/65/82/1211176582.db2.gz STKCCQXGMUFOPD-HXUWFJFHSA-N 2 1 362.518 0.875 20 0 FCADMP CN(Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001275154889 1211182947 /nfs/dbraw/zinc/18/29/47/1211182947.db2.gz MEPFXDGSDVZMFZ-ICSRJNTNSA-N 2 1 361.486 0.803 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161824 1211185190 /nfs/dbraw/zinc/18/51/90/1211185190.db2.gz JQIIWLRREFYJQP-LJQANCHMSA-N 2 1 360.506 0.472 20 0 FCADMP CCc1nc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)[nH]1 ZINC001275183510 1211193473 /nfs/dbraw/zinc/19/34/73/1211193473.db2.gz UTEASABVCPCCRT-LJQANCHMSA-N 2 1 363.506 0.893 20 0 FCADMP CCc1nc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)[nH]1 ZINC001275183510 1211193474 /nfs/dbraw/zinc/19/34/74/1211193474.db2.gz UTEASABVCPCCRT-LJQANCHMSA-N 2 1 363.506 0.893 20 0 FCADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275325811 1211215540 /nfs/dbraw/zinc/21/55/40/1211215540.db2.gz REVNJMKMANAWFH-HBFSDRIKSA-N 2 1 364.534 0.583 20 0 FCADMP COc1ncccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380234 1211226628 /nfs/dbraw/zinc/22/66/28/1211226628.db2.gz PAZCRNOBEVGVEU-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1ncccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275380234 1211226629 /nfs/dbraw/zinc/22/66/29/1211226629.db2.gz PAZCRNOBEVGVEU-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP O=C1CO[C@@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)CN1CCn1ccnc1 ZINC001275421685 1211233571 /nfs/dbraw/zinc/23/35/71/1211233571.db2.gz MBRLJKOZEDALPL-GOSISDBHSA-N 2 1 357.414 0.487 20 0 FCADMP O=C1CO[C@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)CN1CCn1ccnc1 ZINC001275421686 1211233816 /nfs/dbraw/zinc/23/38/16/1211233816.db2.gz MBRLJKOZEDALPL-SFHVURJKSA-N 2 1 357.414 0.487 20 0 FCADMP COc1cncc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001275423098 1211234353 /nfs/dbraw/zinc/23/43/53/1211234353.db2.gz HZXSGLTWCYAGSV-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP NC(=O)CCCCCN1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447854 1211239075 /nfs/dbraw/zinc/23/90/75/1211239075.db2.gz PNZJPYBBPJZVOB-IBGZPJMESA-N 2 1 359.474 0.964 20 0 FCADMP NC(=O)CCCCCN1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275447854 1211239076 /nfs/dbraw/zinc/23/90/76/1211239076.db2.gz PNZJPYBBPJZVOB-IBGZPJMESA-N 2 1 359.474 0.964 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CCN(Cc3[nH+]cc4ccccn43)C2)OCC1=O ZINC001275442269 1211239396 /nfs/dbraw/zinc/23/93/96/1211239396.db2.gz DKMJTRSQWPNSBR-LJQANCHMSA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510898 1211252741 /nfs/dbraw/zinc/25/27/41/1211252741.db2.gz BDSOBQUQPMSWNN-DNVCBOLYSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510898 1211252744 /nfs/dbraw/zinc/25/27/44/1211252744.db2.gz BDSOBQUQPMSWNN-DNVCBOLYSA-N 2 1 366.506 0.156 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557084 1211256992 /nfs/dbraw/zinc/25/69/92/1211256992.db2.gz UXCBXXPZBQHKOQ-APWZRJJASA-N 2 1 367.490 0.441 20 0 FCADMP CCN(CC)C(=O)CN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736109 1211278380 /nfs/dbraw/zinc/27/83/80/1211278380.db2.gz AYRUZTZKPADUIJ-LJQANCHMSA-N 2 1 366.506 0.158 20 0 FCADMP C[NH+]1CCC(CC[NH+]2CC3(C2)COCC(=O)N3CCn2ccnc2)CC1 ZINC001275743754 1211280048 /nfs/dbraw/zinc/28/00/48/1211280048.db2.gz XABIQSSHZSZOOY-UHFFFAOYSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(CCN(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001275750734 1211280996 /nfs/dbraw/zinc/28/09/96/1211280996.db2.gz PLXZNERLXDLOKD-XLIONFOSSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803945 1211286659 /nfs/dbraw/zinc/28/66/59/1211286659.db2.gz NXCIHFHXURRZBT-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803945 1211286662 /nfs/dbraw/zinc/28/66/62/1211286662.db2.gz NXCIHFHXURRZBT-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803945 1211286665 /nfs/dbraw/zinc/28/66/65/1211286665.db2.gz NXCIHFHXURRZBT-AZUAARDMSA-N 2 1 364.534 0.727 20 0 FCADMP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCCO2)CC1 ZINC001275804538 1211287093 /nfs/dbraw/zinc/28/70/93/1211287093.db2.gz SLRQESNHTUYPKM-GUDVDZBRSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCCO2)CC1 ZINC001275804538 1211287095 /nfs/dbraw/zinc/28/70/95/1211287095.db2.gz SLRQESNHTUYPKM-GUDVDZBRSA-N 2 1 364.534 0.868 20 0 FCADMP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCCO2)CC1 ZINC001275804538 1211287096 /nfs/dbraw/zinc/28/70/96/1211287096.db2.gz SLRQESNHTUYPKM-GUDVDZBRSA-N 2 1 364.534 0.868 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878592 1211303222 /nfs/dbraw/zinc/30/32/22/1211303222.db2.gz LTHTVXUSLCHNDC-FCEWJHQRSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275878592 1211303224 /nfs/dbraw/zinc/30/32/24/1211303224.db2.gz LTHTVXUSLCHNDC-FCEWJHQRSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275878592 1211303225 /nfs/dbraw/zinc/30/32/25/1211303225.db2.gz LTHTVXUSLCHNDC-FCEWJHQRSA-N 2 1 367.490 0.441 20 0 FCADMP COC(CN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2)OC ZINC001275878151 1211304100 /nfs/dbraw/zinc/30/41/00/1211304100.db2.gz ICFZQHRYRCWMHI-APWZRJJASA-N 2 1 369.506 0.498 20 0 FCADMP COC(CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2)OC ZINC001275878151 1211304101 /nfs/dbraw/zinc/30/41/01/1211304101.db2.gz ICFZQHRYRCWMHI-APWZRJJASA-N 2 1 369.506 0.498 20 0 FCADMP COC(CN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2)OC ZINC001275878151 1211304109 /nfs/dbraw/zinc/30/41/09/1211304109.db2.gz ICFZQHRYRCWMHI-APWZRJJASA-N 2 1 369.506 0.498 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606138 1211423039 /nfs/dbraw/zinc/42/30/39/1211423039.db2.gz SYYVWBUCWWFILW-LTIDMASMSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001095606138 1211423041 /nfs/dbraw/zinc/42/30/41/1211423041.db2.gz SYYVWBUCWWFILW-LTIDMASMSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C12CCC[NH+]1CCC2 ZINC001095685578 1211447329 /nfs/dbraw/zinc/44/73/29/1211447329.db2.gz MQLMDQLGXXJRKU-PMPSAXMXSA-N 2 1 374.485 0.485 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C12CCC[NH+]1CCC2 ZINC001095685578 1211447331 /nfs/dbraw/zinc/44/73/31/1211447331.db2.gz MQLMDQLGXXJRKU-PMPSAXMXSA-N 2 1 374.485 0.485 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC000946978961 1211464177 /nfs/dbraw/zinc/46/41/77/1211464177.db2.gz DNZWXFOQVVFACC-BZUAXINKSA-N 2 1 363.462 0.169 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1=O ZINC000924472321 1211471038 /nfs/dbraw/zinc/47/10/38/1211471038.db2.gz DIEHLAUMRZBJHO-MSOLQXFVSA-N 2 1 373.501 0.847 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000924573083 1211474163 /nfs/dbraw/zinc/47/41/63/1211474163.db2.gz OFZXZTJQCKPABK-GOSISDBHSA-N 2 1 359.470 0.904 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000926353046 1211538264 /nfs/dbraw/zinc/53/82/64/1211538264.db2.gz IEQAHHSBZIRTOD-GBESFXJTSA-N 2 1 370.497 0.774 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000926386958 1211543759 /nfs/dbraw/zinc/54/37/59/1211543759.db2.gz QVSKVCGMTBVCLU-CEXWTWQISA-N 2 1 370.497 0.917 20 0 FCADMP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221356710 1225301442 /nfs/dbraw/zinc/30/14/42/1225301442.db2.gz CGMPDQKZTCEYNF-SQNIBIBYSA-N 2 1 366.550 0.923 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927636996 1211577379 /nfs/dbraw/zinc/57/73/79/1211577379.db2.gz QUJPVSJMJSZJRF-QGZVFWFLSA-N 2 1 368.522 0.992 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[NH+]2C)c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928556210 1211604711 /nfs/dbraw/zinc/60/47/11/1211604711.db2.gz NQSYADBTCYWZGE-GJZGRUSLSA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[N@@H+]2C)c1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928556210 1211604715 /nfs/dbraw/zinc/60/47/15/1211604715.db2.gz NQSYADBTCYWZGE-GJZGRUSLSA-N 2 1 361.490 0.130 20 0 FCADMP Cc1cn(C)c(CC(=O)NC[C@@H]2CC[N@H+]2C)c1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928556210 1211604718 /nfs/dbraw/zinc/60/47/18/1211604718.db2.gz NQSYADBTCYWZGE-GJZGRUSLSA-N 2 1 361.490 0.130 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000929229722 1211623536 /nfs/dbraw/zinc/62/35/36/1211623536.db2.gz NELRLFLPSHPQAN-INIZCTEOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000929229722 1211623537 /nfs/dbraw/zinc/62/35/37/1211623537.db2.gz NELRLFLPSHPQAN-INIZCTEOSA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000929229722 1211623538 /nfs/dbraw/zinc/62/35/38/1211623538.db2.gz NELRLFLPSHPQAN-INIZCTEOSA-N 2 1 368.522 0.308 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000929797410 1211661456 /nfs/dbraw/zinc/66/14/56/1211661456.db2.gz DOLWSCOMYADIPC-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000929797410 1211661465 /nfs/dbraw/zinc/66/14/65/1211661465.db2.gz DOLWSCOMYADIPC-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000929797410 1211661476 /nfs/dbraw/zinc/66/14/76/1211661476.db2.gz DOLWSCOMYADIPC-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000929797410 1211661480 /nfs/dbraw/zinc/66/14/80/1211661480.db2.gz DOLWSCOMYADIPC-QZTJIDSGSA-N 2 1 358.486 0.488 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221397075 1225305925 /nfs/dbraw/zinc/30/59/25/1225305925.db2.gz DWTWQMAJUQLGRH-ZWKOTPCHSA-N 3 1 358.486 0.270 20 0 FCADMP CN1C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)OC2(CC[NH2+]CC2)C1 ZINC001221397075 1225305928 /nfs/dbraw/zinc/30/59/28/1225305928.db2.gz DWTWQMAJUQLGRH-ZWKOTPCHSA-N 2 1 358.486 0.270 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001110980010 1211683518 /nfs/dbraw/zinc/68/35/18/1211683518.db2.gz MXBMSCGQJYJSAE-AHCXZYCDSA-N 2 1 365.474 0.830 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000930744826 1211720257 /nfs/dbraw/zinc/72/02/57/1211720257.db2.gz ZKQUDUWRPIPXBP-UHFFFAOYSA-N 2 1 359.474 0.909 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931872511 1211775322 /nfs/dbraw/zinc/77/53/22/1211775322.db2.gz MUXWDMQZNGALIU-SFHVURJKSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931872511 1211775323 /nfs/dbraw/zinc/77/53/23/1211775323.db2.gz MUXWDMQZNGALIU-SFHVURJKSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931872511 1211775328 /nfs/dbraw/zinc/77/53/28/1211775328.db2.gz MUXWDMQZNGALIU-SFHVURJKSA-N 2 1 358.486 0.850 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC1 ZINC000931872511 1211775333 /nfs/dbraw/zinc/77/53/33/1211775333.db2.gz MUXWDMQZNGALIU-SFHVURJKSA-N 2 1 358.486 0.850 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931883555 1211779554 /nfs/dbraw/zinc/77/95/54/1211779554.db2.gz PBRLQSFVHOLNIH-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931883555 1211779555 /nfs/dbraw/zinc/77/95/55/1211779555.db2.gz PBRLQSFVHOLNIH-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883555 1211779556 /nfs/dbraw/zinc/77/95/56/1211779556.db2.gz PBRLQSFVHOLNIH-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883555 1211779557 /nfs/dbraw/zinc/77/95/57/1211779557.db2.gz PBRLQSFVHOLNIH-MSOLQXFVSA-N 2 1 358.486 0.930 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000931887909 1211780309 /nfs/dbraw/zinc/78/03/09/1211780309.db2.gz YSQUOARCQKGXPX-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000931887909 1211780313 /nfs/dbraw/zinc/78/03/13/1211780313.db2.gz YSQUOARCQKGXPX-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000931887909 1211780319 /nfs/dbraw/zinc/78/03/19/1211780319.db2.gz YSQUOARCQKGXPX-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000931887909 1211780323 /nfs/dbraw/zinc/78/03/23/1211780323.db2.gz YSQUOARCQKGXPX-OKZBNKHCSA-N 2 1 356.470 0.540 20 0 FCADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931887406 1211780455 /nfs/dbraw/zinc/78/04/55/1211780455.db2.gz SBIGFVBKGNBNLI-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000931887406 1211780466 /nfs/dbraw/zinc/78/04/66/1211780466.db2.gz SBIGFVBKGNBNLI-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000931887406 1211780467 /nfs/dbraw/zinc/78/04/67/1211780467.db2.gz SBIGFVBKGNBNLI-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000931887406 1211780470 /nfs/dbraw/zinc/78/04/70/1211780470.db2.gz SBIGFVBKGNBNLI-ZWKOTPCHSA-N 2 1 358.486 0.582 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[nH+]c1 ZINC000932802087 1211822603 /nfs/dbraw/zinc/82/26/03/1211822603.db2.gz RFDUQCUTRCRLFC-UHFFFAOYSA-N 2 1 368.441 0.662 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000932814817 1211823505 /nfs/dbraw/zinc/82/35/05/1211823505.db2.gz COZDKTRVDMVTHZ-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000932814817 1211823506 /nfs/dbraw/zinc/82/35/06/1211823506.db2.gz COZDKTRVDMVTHZ-CVEARBPZSA-N 2 1 359.474 0.861 20 0 FCADMP CCN(CCC(=O)NC)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000933866082 1211850209 /nfs/dbraw/zinc/85/02/09/1211850209.db2.gz KUYAVVAPDMZXBE-UHFFFAOYSA-N 2 1 362.474 0.915 20 0 FCADMP Cn1nccc1CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152337 1211902563 /nfs/dbraw/zinc/90/25/63/1211902563.db2.gz TUNUUYPTBIROFI-KURKYZTESA-N 2 1 361.490 0.406 20 0 FCADMP Cn1nccc1CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152337 1211902564 /nfs/dbraw/zinc/90/25/64/1211902564.db2.gz TUNUUYPTBIROFI-KURKYZTESA-N 2 1 361.490 0.406 20 0 FCADMP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198067 1211924058 /nfs/dbraw/zinc/92/40/58/1211924058.db2.gz GXWRUEMOGBWUAZ-OLMNPRSZSA-N 2 1 361.490 0.752 20 0 FCADMP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198067 1211924061 /nfs/dbraw/zinc/92/40/61/1211924061.db2.gz GXWRUEMOGBWUAZ-OLMNPRSZSA-N 2 1 361.490 0.752 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000968631484 1212056261 /nfs/dbraw/zinc/05/62/61/1212056261.db2.gz GFQBUEPALULXPZ-PMPSAXMXSA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1nnnn1C1CC1 ZINC000188743826 1212111207 /nfs/dbraw/zinc/11/12/07/1212111207.db2.gz PQJNOWRMWOIEAG-CYBMUJFWSA-N 2 1 364.498 0.736 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000948116002 1212134997 /nfs/dbraw/zinc/13/49/97/1212134997.db2.gz AVPVNKYPRVDSGQ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000948116002 1212135001 /nfs/dbraw/zinc/13/50/01/1212135001.db2.gz AVPVNKYPRVDSGQ-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cncn3C)CC2)O1 ZINC000948541191 1212197434 /nfs/dbraw/zinc/19/74/34/1212197434.db2.gz DMKJQQVEEQJVPL-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cncn3C)CC2)O1 ZINC000948541191 1212197439 /nfs/dbraw/zinc/19/74/39/1212197439.db2.gz DMKJQQVEEQJVPL-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cncn3C)CC2)O1 ZINC000948541191 1212197442 /nfs/dbraw/zinc/19/74/42/1212197442.db2.gz DMKJQQVEEQJVPL-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cncn3C)CC2)O1 ZINC000948541191 1212197443 /nfs/dbraw/zinc/19/74/43/1212197443.db2.gz DMKJQQVEEQJVPL-SOLBZPMBSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000948541684 1212197570 /nfs/dbraw/zinc/19/75/70/1212197570.db2.gz ICWXYQZELNMDNJ-BPQIPLTHSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000948541684 1212197574 /nfs/dbraw/zinc/19/75/74/1212197574.db2.gz ICWXYQZELNMDNJ-BPQIPLTHSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cnn(C)c3)CC2)O1 ZINC000948541684 1212197577 /nfs/dbraw/zinc/19/75/77/1212197577.db2.gz ICWXYQZELNMDNJ-BPQIPLTHSA-N 2 1 363.506 0.952 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cnn(C)c3)CC2)O1 ZINC000948541684 1212197581 /nfs/dbraw/zinc/19/75/81/1212197581.db2.gz ICWXYQZELNMDNJ-BPQIPLTHSA-N 2 1 363.506 0.952 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001111281560 1212233286 /nfs/dbraw/zinc/23/32/86/1212233286.db2.gz XUBWVCDCXOOBSV-XDNAFOTISA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000949940168 1212488876 /nfs/dbraw/zinc/48/88/76/1212488876.db2.gz PXDPJOZHZDOUOH-KLHDSHLOSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000949940168 1212488881 /nfs/dbraw/zinc/48/88/81/1212488881.db2.gz PXDPJOZHZDOUOH-KLHDSHLOSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949954709 1212491474 /nfs/dbraw/zinc/49/14/74/1212491474.db2.gz AAZKULGKGRVDIU-BZUAXINKSA-N 2 1 371.485 0.819 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1C ZINC000951249791 1212803713 /nfs/dbraw/zinc/80/37/13/1212803713.db2.gz MJUNQBIHRGESMW-RBSFLKMASA-N 2 1 359.474 0.819 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631631 1225407223 /nfs/dbraw/zinc/40/72/23/1225407223.db2.gz ZZETXLHCNFKRAU-ZACQAIPSSA-N 2 1 367.538 0.813 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631631 1225407225 /nfs/dbraw/zinc/40/72/25/1225407225.db2.gz ZZETXLHCNFKRAU-ZACQAIPSSA-N 2 1 367.538 0.813 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000953951344 1213026367 /nfs/dbraw/zinc/02/63/67/1213026367.db2.gz YEBSVSMUQVESHK-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000953951344 1213026368 /nfs/dbraw/zinc/02/63/68/1213026368.db2.gz YEBSVSMUQVESHK-NVXWUHKLSA-N 2 1 366.506 0.251 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120891 1213042644 /nfs/dbraw/zinc/04/26/44/1213042644.db2.gz YXGALNXUCBBXIA-CABCVRRESA-N 2 1 366.510 0.113 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3occc3C[NH+](C)C)C2)CC[N@H+]1C ZINC000954407161 1213069199 /nfs/dbraw/zinc/06/91/99/1213069199.db2.gz DVDCRCJPNBIUCH-CZUORRHYSA-N 2 1 362.474 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000954415932 1213073249 /nfs/dbraw/zinc/07/32/49/1213073249.db2.gz GSSGQWFABZOBAI-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000954415932 1213073253 /nfs/dbraw/zinc/07/32/53/1213073253.db2.gz GSSGQWFABZOBAI-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954415932 1213073261 /nfs/dbraw/zinc/07/32/61/1213073261.db2.gz GSSGQWFABZOBAI-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000954415932 1213073266 /nfs/dbraw/zinc/07/32/66/1213073266.db2.gz GSSGQWFABZOBAI-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000956057100 1213167562 /nfs/dbraw/zinc/16/75/62/1213167562.db2.gz GJPWGZWBGYRSAB-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000956057100 1213167564 /nfs/dbraw/zinc/16/75/64/1213167564.db2.gz GJPWGZWBGYRSAB-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC000956378504 1213188633 /nfs/dbraw/zinc/18/86/33/1213188633.db2.gz MDMSOCYAKQNFIB-RRFJBIMHSA-N 2 1 359.474 0.962 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC000956378504 1213188635 /nfs/dbraw/zinc/18/86/35/1213188635.db2.gz MDMSOCYAKQNFIB-RRFJBIMHSA-N 2 1 359.474 0.962 20 0 FCADMP C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000641788129 1213216342 /nfs/dbraw/zinc/21/63/42/1213216342.db2.gz ROALVTWNYXLWCP-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000641788129 1213216347 /nfs/dbraw/zinc/21/63/47/1213216347.db2.gz ROALVTWNYXLWCP-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000641788129 1213216350 /nfs/dbraw/zinc/21/63/50/1213216350.db2.gz ROALVTWNYXLWCP-ROUUACIJSA-N 2 1 367.538 0.424 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)CC[N@H+]1C ZINC000957085911 1213248137 /nfs/dbraw/zinc/24/81/37/1213248137.db2.gz KKADBULGBVDARK-YYIAUSFCSA-N 2 1 362.518 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000957224250 1213276349 /nfs/dbraw/zinc/27/63/49/1213276349.db2.gz JXXBMZNWIDUIRV-FCEWJHQRSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221682879 1225440667 /nfs/dbraw/zinc/44/06/67/1225440667.db2.gz SUXFYSRRNSFNQC-CRAIPNDOSA-N 2 1 371.441 0.423 20 0 FCADMP C[C@@H]1CN(C(=O)CN(C)CCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000796277513 1213402395 /nfs/dbraw/zinc/40/23/95/1213402395.db2.gz ZSFVKZYLOVGLCY-LJQANCHMSA-N 2 1 374.529 0.983 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001114859579 1213439477 /nfs/dbraw/zinc/43/94/77/1213439477.db2.gz RRJMPOVWIBROSI-JGLNRKDHSA-N 2 1 370.497 0.514 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001114859579 1213439480 /nfs/dbraw/zinc/43/94/80/1213439480.db2.gz RRJMPOVWIBROSI-JGLNRKDHSA-N 2 1 370.497 0.514 20 0 FCADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001114859579 1213439482 /nfs/dbraw/zinc/43/94/82/1213439482.db2.gz RRJMPOVWIBROSI-JGLNRKDHSA-N 2 1 370.497 0.514 20 0 FCADMP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001114859579 1213439485 /nfs/dbraw/zinc/43/94/85/1213439485.db2.gz RRJMPOVWIBROSI-JGLNRKDHSA-N 2 1 370.497 0.514 20 0 FCADMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763993 1225471896 /nfs/dbraw/zinc/47/18/96/1225471896.db2.gz OQVFQRBDMFAGMN-KURKYZTESA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763993 1225471899 /nfs/dbraw/zinc/47/18/99/1225471899.db2.gz OQVFQRBDMFAGMN-KURKYZTESA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763993 1225471900 /nfs/dbraw/zinc/47/19/00/1225471900.db2.gz OQVFQRBDMFAGMN-KURKYZTESA-N 2 1 369.506 0.291 20 0 FCADMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763993 1225471904 /nfs/dbraw/zinc/47/19/04/1225471904.db2.gz OQVFQRBDMFAGMN-KURKYZTESA-N 2 1 369.506 0.291 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787402 1225480797 /nfs/dbraw/zinc/48/07/97/1225480797.db2.gz QMPLCHVPHOWMDT-CEXWTWQISA-N 2 1 367.534 0.894 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787209 1225480878 /nfs/dbraw/zinc/48/08/78/1225480878.db2.gz NFEKECFEFZFQGO-QZTJIDSGSA-N 2 1 366.506 0.014 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733588 1213994723 /nfs/dbraw/zinc/99/47/23/1213994723.db2.gz UCVIRJUVMWFXSQ-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733588 1213994728 /nfs/dbraw/zinc/99/47/28/1213994728.db2.gz UCVIRJUVMWFXSQ-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)[C@@H](c2ccccc2)C1 ZINC001015733588 1213994732 /nfs/dbraw/zinc/99/47/32/1213994732.db2.gz UCVIRJUVMWFXSQ-QRVBRYPASA-N 2 1 368.485 0.814 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960956618 1214038846 /nfs/dbraw/zinc/03/88/46/1214038846.db2.gz UTASJIQPJVYDRC-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419505993 1214204188 /nfs/dbraw/zinc/20/41/88/1214204188.db2.gz LEPFSVYIGNSNGG-WIYYLYMNSA-N 2 1 370.497 0.979 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001019416589 1214240028 /nfs/dbraw/zinc/24/00/28/1214240028.db2.gz PVJPAVMHBILMOX-OTWHNJEPSA-N 2 1 370.497 0.755 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000961602736 1214240908 /nfs/dbraw/zinc/24/09/08/1214240908.db2.gz NLAAFIBDLTWMOG-XWTMOSNGSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2)CC[N@H+]1C ZINC001020171203 1214316932 /nfs/dbraw/zinc/31/69/32/1214316932.db2.gz RTTRQNNVBQRADK-JSPVNYKOSA-N 2 1 362.449 0.929 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001020286496 1214328051 /nfs/dbraw/zinc/32/80/51/1214328051.db2.gz AFUOUFSNPPHNOB-ZHCJQAHYSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(=O)N1CCCCC1 ZINC001020286496 1214328058 /nfs/dbraw/zinc/32/80/58/1214328058.db2.gz AFUOUFSNPPHNOB-ZHCJQAHYSA-N 2 1 366.506 0.343 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001039865038 1214449892 /nfs/dbraw/zinc/44/98/92/1214449892.db2.gz KIDZPRKAWIVLLD-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001039865038 1214449895 /nfs/dbraw/zinc/44/98/95/1214449895.db2.gz KIDZPRKAWIVLLD-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001039865038 1214449902 /nfs/dbraw/zinc/44/99/02/1214449902.db2.gz KIDZPRKAWIVLLD-FRQCXROJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745024 1214579925 /nfs/dbraw/zinc/57/99/25/1214579925.db2.gz GOTFTWNRNRPBTM-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745024 1214579929 /nfs/dbraw/zinc/57/99/29/1214579929.db2.gz GOTFTWNRNRPBTM-OWCLPIDISA-N 2 1 366.506 0.284 20 0 FCADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221950494 1225548440 /nfs/dbraw/zinc/54/84/40/1225548440.db2.gz KJZAEXKBKHEMIL-LZLYRXPVSA-N 2 1 361.490 0.957 20 0 FCADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221950494 1225548445 /nfs/dbraw/zinc/54/84/45/1225548445.db2.gz KJZAEXKBKHEMIL-LZLYRXPVSA-N 2 1 361.490 0.957 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950522 1225548832 /nfs/dbraw/zinc/54/88/32/1225548832.db2.gz MCUODPWCMRHMOO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950522 1225548838 /nfs/dbraw/zinc/54/88/38/1225548838.db2.gz MCUODPWCMRHMOO-BZUAXINKSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCCN(C)C2=O)C3)CC[N@H+]1C ZINC000963829621 1214859803 /nfs/dbraw/zinc/85/98/03/1214859803.db2.gz AXPDISDPCWIQGS-DDFPFOKPSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2)[NH+](C)C ZINC000965391601 1215054734 /nfs/dbraw/zinc/05/47/34/1215054734.db2.gz BYVQMJCFYOSRMX-BZUAXINKSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001222017893 1225576840 /nfs/dbraw/zinc/57/68/40/1225576840.db2.gz AXTJTSYNUZULCR-KZNAEPCWSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001222017893 1225576842 /nfs/dbraw/zinc/57/68/42/1225576842.db2.gz AXTJTSYNUZULCR-KZNAEPCWSA-N 2 1 364.490 0.758 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001222016496 1225577192 /nfs/dbraw/zinc/57/71/92/1225577192.db2.gz MZDDANHNRKYEQP-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001222016496 1225577195 /nfs/dbraw/zinc/57/71/95/1225577195.db2.gz MZDDANHNRKYEQP-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018205 1225578335 /nfs/dbraw/zinc/57/83/35/1225578335.db2.gz RKYOUCRIJJLAHN-RCCFBDPRSA-N 2 1 369.506 0.150 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000968098393 1215286226 /nfs/dbraw/zinc/28/62/26/1215286226.db2.gz VHKMFYYXOGDKBC-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000968098393 1215286228 /nfs/dbraw/zinc/28/62/28/1215286228.db2.gz VHKMFYYXOGDKBC-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000968098393 1215286230 /nfs/dbraw/zinc/28/62/30/1215286230.db2.gz VHKMFYYXOGDKBC-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000968098393 1215286234 /nfs/dbraw/zinc/28/62/34/1215286234.db2.gz VHKMFYYXOGDKBC-BFYDXBDKSA-N 2 1 366.506 0.249 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056032531 1215939610 /nfs/dbraw/zinc/93/96/10/1215939610.db2.gz MKWXLDPOFAFHDH-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001056032531 1215939617 /nfs/dbraw/zinc/93/96/17/1215939617.db2.gz MKWXLDPOFAFHDH-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001056032531 1215939620 /nfs/dbraw/zinc/93/96/20/1215939620.db2.gz MKWXLDPOFAFHDH-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001056118037 1215949861 /nfs/dbraw/zinc/94/98/61/1215949861.db2.gz UTAJIQRPEQWGRR-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001056118037 1215949864 /nfs/dbraw/zinc/94/98/64/1215949864.db2.gz UTAJIQRPEQWGRR-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001056118037 1215949868 /nfs/dbraw/zinc/94/98/68/1215949868.db2.gz UTAJIQRPEQWGRR-MDZRGWNJSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC001050336866 1216309219 /nfs/dbraw/zinc/30/92/19/1216309219.db2.gz SETRNEVEEDLRHD-WRQOLXDDSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC001050336866 1216309226 /nfs/dbraw/zinc/30/92/26/1216309226.db2.gz SETRNEVEEDLRHD-WRQOLXDDSA-N 2 1 366.506 0.249 20 0 FCADMP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)nc3C)C2)C1=O ZINC001276844207 1225663577 /nfs/dbraw/zinc/66/35/77/1225663577.db2.gz XXIITWHWXWDRFF-GOSISDBHSA-N 2 1 361.446 0.504 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3CC)C2)CC[N@H+]1C ZINC001051623847 1216467754 /nfs/dbraw/zinc/46/77/54/1216467754.db2.gz JPBOBZPXSWLXQK-YESZJQIVSA-N 2 1 364.494 0.345 20 0 FCADMP CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)[nH]1 ZINC001051624191 1216467805 /nfs/dbraw/zinc/46/78/05/1216467805.db2.gz MNTVGFQUTXQJMR-QLFBSQMISA-N 2 1 364.494 0.585 20 0 FCADMP CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)[nH]1 ZINC001051624191 1216467809 /nfs/dbraw/zinc/46/78/09/1216467809.db2.gz MNTVGFQUTXQJMR-QLFBSQMISA-N 2 1 364.494 0.585 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001057738652 1216529563 /nfs/dbraw/zinc/52/95/63/1216529563.db2.gz DRIIPUSNMIAQNW-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001057738652 1216529568 /nfs/dbraw/zinc/52/95/68/1216529568.db2.gz DRIIPUSNMIAQNW-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001057738652 1216529575 /nfs/dbraw/zinc/52/95/75/1216529575.db2.gz DRIIPUSNMIAQNW-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCc3ccnn3C)CC2)O1 ZINC001052489914 1216561170 /nfs/dbraw/zinc/56/11/70/1216561170.db2.gz RDCTWBBRFDHSMM-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCc3ccnn3C)CC2)O1 ZINC001052489914 1216561175 /nfs/dbraw/zinc/56/11/75/1216561175.db2.gz RDCTWBBRFDHSMM-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCc3ccnn3C)CC2)O1 ZINC001052489914 1216561179 /nfs/dbraw/zinc/56/11/79/1216561179.db2.gz RDCTWBBRFDHSMM-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCc3ccnn3C)CC2)O1 ZINC001052489914 1216561184 /nfs/dbraw/zinc/56/11/84/1216561184.db2.gz RDCTWBBRFDHSMM-SOLBZPMBSA-N 2 1 363.506 0.652 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001067541524 1216686652 /nfs/dbraw/zinc/68/66/52/1216686652.db2.gz RZJPBPAQYKNTQE-DLBZAZTESA-N 2 1 370.538 0.602 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C2CC[NH+](C)CC2)O1 ZINC001067712371 1216695541 /nfs/dbraw/zinc/69/55/41/1216695541.db2.gz IRGSSUGLWARVPY-NVXWUHKLSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C2CC[NH+](C)CC2)O1 ZINC001067712371 1216695545 /nfs/dbraw/zinc/69/55/45/1216695545.db2.gz IRGSSUGLWARVPY-NVXWUHKLSA-N 2 1 368.522 0.354 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)CC[N@H+]1C ZINC001069014870 1216772646 /nfs/dbraw/zinc/77/26/46/1216772646.db2.gz MYCQHJQEUAOAQA-HRCADAONSA-N 2 1 366.506 0.155 20 0 FCADMP CCOCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248010 1225694226 /nfs/dbraw/zinc/69/42/26/1225694226.db2.gz BAQBWDYPMVOAHO-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]ccn21 ZINC001069945764 1216859319 /nfs/dbraw/zinc/85/93/19/1216859319.db2.gz VKXNHQSFSVXCGT-OAGGEKHMSA-N 2 1 355.446 0.804 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]ccn21 ZINC001069945764 1216859323 /nfs/dbraw/zinc/85/93/23/1216859323.db2.gz VKXNHQSFSVXCGT-OAGGEKHMSA-N 2 1 355.446 0.804 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2n2ccnn2)O1 ZINC001069958445 1216866868 /nfs/dbraw/zinc/86/68/68/1216866868.db2.gz GVOOTBPIKISOJW-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2n2ccnn2)O1 ZINC001069958445 1216866869 /nfs/dbraw/zinc/86/68/69/1216866869.db2.gz GVOOTBPIKISOJW-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2n2ccnn2)O1 ZINC001069958445 1216866872 /nfs/dbraw/zinc/86/68/72/1216866872.db2.gz GVOOTBPIKISOJW-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)O1 ZINC001069958445 1216866875 /nfs/dbraw/zinc/86/68/75/1216866875.db2.gz GVOOTBPIKISOJW-MXASKKJJSA-N 2 1 362.478 0.139 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)c1ccc2c[nH+]cn2c1 ZINC001069979503 1216881375 /nfs/dbraw/zinc/88/13/75/1216881375.db2.gz JZIKTEITJOXVLB-SJORKVTESA-N 2 1 351.414 0.991 20 0 FCADMP CC(C)N1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354231 1225700393 /nfs/dbraw/zinc/70/03/93/1225700393.db2.gz LQJHDLCSWCKFIR-FGTMMUONSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001223354231 1225700398 /nfs/dbraw/zinc/70/03/98/1225700398.db2.gz LQJHDLCSWCKFIR-FGTMMUONSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001223354231 1225700403 /nfs/dbraw/zinc/70/04/03/1225700403.db2.gz LQJHDLCSWCKFIR-FGTMMUONSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354231 1225700408 /nfs/dbraw/zinc/70/04/08/1225700408.db2.gz LQJHDLCSWCKFIR-FGTMMUONSA-N 2 1 369.506 0.027 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)C1 ZINC001223354231 1225700414 /nfs/dbraw/zinc/70/04/14/1225700414.db2.gz LQJHDLCSWCKFIR-FGTMMUONSA-N 2 1 369.506 0.027 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)CC1 ZINC001223370467 1225701388 /nfs/dbraw/zinc/70/13/88/1225701388.db2.gz WSGVZAFWAOVIMQ-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070050602 1216926894 /nfs/dbraw/zinc/92/68/94/1216926894.db2.gz JOAZMLYLNZQMDI-CVEARBPZSA-N 2 1 360.466 0.100 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223571165 1225717252 /nfs/dbraw/zinc/71/72/52/1225717252.db2.gz ZQZMCKVYYFCJIS-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(CC)C(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223571165 1225717256 /nfs/dbraw/zinc/71/72/56/1225717256.db2.gz ZQZMCKVYYFCJIS-NVXWUHKLSA-N 2 1 368.522 0.402 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001223763739 1225733955 /nfs/dbraw/zinc/73/39/55/1225733955.db2.gz JNRGROKUKFSWKQ-NUJGCVRESA-N 2 1 369.506 0.027 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223846623 1225740193 /nfs/dbraw/zinc/74/01/93/1225740193.db2.gz PFAOILHTVKISCW-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223846623 1225740195 /nfs/dbraw/zinc/74/01/95/1225740195.db2.gz PFAOILHTVKISCW-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223846623 1225740196 /nfs/dbraw/zinc/74/01/96/1225740196.db2.gz PFAOILHTVKISCW-CVEARBPZSA-N 2 1 364.490 0.400 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912708 1225744994 /nfs/dbraw/zinc/74/49/94/1225744994.db2.gz YJYNQLARYUEZRE-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912708 1225745000 /nfs/dbraw/zinc/74/50/00/1225745000.db2.gz YJYNQLARYUEZRE-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912708 1225745007 /nfs/dbraw/zinc/74/50/07/1225745007.db2.gz YJYNQLARYUEZRE-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CC4)[C@H]3C2)C1 ZINC001223912708 1225745013 /nfs/dbraw/zinc/74/50/13/1225745013.db2.gz YJYNQLARYUEZRE-KURKYZTESA-N 2 1 362.518 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916442 1225746429 /nfs/dbraw/zinc/74/64/29/1225746429.db2.gz IQJYGFWONFXMAO-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916954 1225746674 /nfs/dbraw/zinc/74/66/74/1225746674.db2.gz WIEYNPQCRDJBGY-AEFFLSMTSA-N 2 1 363.506 0.464 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)CC[NH+]1C ZINC001043274405 1217626314 /nfs/dbraw/zinc/62/63/14/1217626314.db2.gz KAUVFQDZGIXGLA-LSDHHAIUSA-N 2 1 368.522 0.137 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130018 1225758538 /nfs/dbraw/zinc/75/85/38/1225758538.db2.gz LIQMJUVNBLLKMP-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130018 1225758544 /nfs/dbraw/zinc/75/85/44/1225758544.db2.gz LIQMJUVNBLLKMP-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130018 1225758549 /nfs/dbraw/zinc/75/85/49/1225758549.db2.gz LIQMJUVNBLLKMP-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130018 1225758553 /nfs/dbraw/zinc/75/85/53/1225758553.db2.gz LIQMJUVNBLLKMP-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC4CCC4)[C@H]3C2)C1 ZINC001224130018 1225758559 /nfs/dbraw/zinc/75/85/59/1225758559.db2.gz LIQMJUVNBLLKMP-SQNIBIBYSA-N 2 1 362.518 0.777 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001045089914 1217898836 /nfs/dbraw/zinc/89/88/36/1217898836.db2.gz QDYMVWIUJGSVKD-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001045089914 1217898838 /nfs/dbraw/zinc/89/88/38/1217898838.db2.gz QDYMVWIUJGSVKD-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(C)c2)O1 ZINC001045802443 1217961492 /nfs/dbraw/zinc/96/14/92/1217961492.db2.gz CRFUAOMSIBWGLH-NRSFXHEJSA-N 2 1 361.490 0.705 20 0 FCADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900192322 1217969101 /nfs/dbraw/zinc/96/91/01/1217969101.db2.gz LKIWKTXFJNSGLQ-FPOVZHCZSA-N 2 1 374.529 0.895 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CCOCCO)cc2)CC1 ZINC000800508327 1217980390 /nfs/dbraw/zinc/98/03/90/1217980390.db2.gz RGUAYNGSMKGEMG-UHFFFAOYSA-N 2 1 364.490 0.708 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CCOCCO)cc2)CC1 ZINC000800508327 1217980397 /nfs/dbraw/zinc/98/03/97/1217980397.db2.gz RGUAYNGSMKGEMG-UHFFFAOYSA-N 2 1 364.490 0.708 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000900680734 1218023604 /nfs/dbraw/zinc/02/36/04/1218023604.db2.gz HNRMOPYWDZPVQU-INIZCTEOSA-N 2 1 369.506 0.831 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418145 1218035086 /nfs/dbraw/zinc/03/50/86/1218035086.db2.gz QHRCNWYWLXASCY-QBIMZIAESA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418145 1218035089 /nfs/dbraw/zinc/03/50/89/1218035089.db2.gz QHRCNWYWLXASCY-QBIMZIAESA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418145 1218035094 /nfs/dbraw/zinc/03/50/94/1218035094.db2.gz QHRCNWYWLXASCY-QBIMZIAESA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418145 1218035099 /nfs/dbraw/zinc/03/50/99/1218035099.db2.gz QHRCNWYWLXASCY-QBIMZIAESA-N 2 1 364.494 0.195 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000900867285 1218047161 /nfs/dbraw/zinc/04/71/61/1218047161.db2.gz SCYZOJALQZOIKB-IRXDYDNUSA-N 2 1 367.490 0.585 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000900954801 1218063149 /nfs/dbraw/zinc/06/31/49/1218063149.db2.gz LYTZFCQIXFCABV-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000900954801 1218063155 /nfs/dbraw/zinc/06/31/55/1218063155.db2.gz LYTZFCQIXFCABV-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000801549607 1218129217 /nfs/dbraw/zinc/12/92/17/1218129217.db2.gz SOIYYRMEBWXGLQ-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000801549607 1218129230 /nfs/dbraw/zinc/12/92/30/1218129230.db2.gz SOIYYRMEBWXGLQ-SFHVURJKSA-N 2 1 358.486 0.883 20 0 FCADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047383878 1218136378 /nfs/dbraw/zinc/13/63/78/1218136378.db2.gz KSDZBPZLDDGUHO-OWSLCNJRSA-N 2 1 371.497 0.596 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001048528463 1218279911 /nfs/dbraw/zinc/27/99/11/1218279911.db2.gz WTTMHZBXHRKQBN-PNVOZDDCSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001048528463 1218279918 /nfs/dbraw/zinc/27/99/18/1218279918.db2.gz WTTMHZBXHRKQBN-PNVOZDDCSA-N 2 1 362.518 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001048528463 1218279925 /nfs/dbraw/zinc/27/99/25/1218279925.db2.gz WTTMHZBXHRKQBN-PNVOZDDCSA-N 2 1 362.518 0.917 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCNC2=O)CC[N@H+]1C ZINC001048529887 1218281597 /nfs/dbraw/zinc/28/15/97/1218281597.db2.gz WHCYJRWKASTXLK-MULDDASSSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)CC[NH+]1C ZINC001048529887 1218281602 /nfs/dbraw/zinc/28/16/02/1218281602.db2.gz WHCYJRWKASTXLK-MULDDASSSA-N 2 1 362.518 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)CC[NH+]1C ZINC001048529887 1218281605 /nfs/dbraw/zinc/28/16/05/1218281605.db2.gz WHCYJRWKASTXLK-MULDDASSSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H]4CCc5ncnn54)C[C@@H]3C2)CC[N@H+]1C ZINC001048829137 1218322762 /nfs/dbraw/zinc/32/27/62/1218322762.db2.gz IMAOPJQQHCHCTD-UHDSXZAQSA-N 2 1 358.490 0.496 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCc5ncnn54)C[C@@H]3C2)CC[NH+]1C ZINC001048829137 1218322769 /nfs/dbraw/zinc/32/27/69/1218322769.db2.gz IMAOPJQQHCHCTD-UHDSXZAQSA-N 2 1 358.490 0.496 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCc5ncnn54)C[C@@H]3C2)CC[NH+]1C ZINC001048829137 1218322775 /nfs/dbraw/zinc/32/27/75/1218322775.db2.gz IMAOPJQQHCHCTD-UHDSXZAQSA-N 2 1 358.490 0.496 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048830417 1218325874 /nfs/dbraw/zinc/32/58/74/1218325874.db2.gz NMBYDBXOHLWRTA-ONMISFSYSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048830417 1218325879 /nfs/dbraw/zinc/32/58/79/1218325879.db2.gz NMBYDBXOHLWRTA-ONMISFSYSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048830417 1218325886 /nfs/dbraw/zinc/32/58/86/1218325886.db2.gz NMBYDBXOHLWRTA-ONMISFSYSA-N 2 1 362.518 0.774 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001048923658 1218341957 /nfs/dbraw/zinc/34/19/57/1218341957.db2.gz UVIYGEWDKBINAM-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)CC[N@H+]1C ZINC001049140480 1218387195 /nfs/dbraw/zinc/38/71/95/1218387195.db2.gz YPIIYBQMBQIWGD-NCOADZHNSA-N 2 1 368.522 0.089 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277060223 1225817603 /nfs/dbraw/zinc/81/76/03/1225817603.db2.gz LECNTKAUFXPQBZ-ZIAGYGMSSA-N 2 1 367.494 0.047 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CC[NH+](C)C)C2=O ZINC001277071274 1225822706 /nfs/dbraw/zinc/82/27/06/1225822706.db2.gz TUSKNFPWCQMVSV-IBGZPJMESA-N 2 1 354.458 0.867 20 0 FCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509564 1218431535 /nfs/dbraw/zinc/43/15/35/1218431535.db2.gz JEAZPNHRPUTBOD-CWRNSKLLSA-N 2 1 365.522 0.900 20 0 FCADMP COc1c(C)c[nH+]c(CN2CC3(C2)COCC(=O)N3CC[NH+](C)C)c1C ZINC001277071714 1225822320 /nfs/dbraw/zinc/82/23/20/1225822320.db2.gz DJBZWFLZBIGDIP-UHFFFAOYSA-N 2 1 362.474 0.682 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCN2CCNC2=O)CC[N@H+]1C ZINC001049485078 1218462523 /nfs/dbraw/zinc/46/25/23/1218462523.db2.gz KUHMTSBFWOSAEP-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485078 1218462535 /nfs/dbraw/zinc/46/25/35/1218462535.db2.gz KUHMTSBFWOSAEP-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCN2CCNC2=O)CC[NH+]1C ZINC001049485078 1218462547 /nfs/dbraw/zinc/46/25/47/1218462547.db2.gz KUHMTSBFWOSAEP-WCXIOVBPSA-N 2 1 363.506 0.417 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000903741741 1218511946 /nfs/dbraw/zinc/51/19/46/1218511946.db2.gz SIAIXYATZJTMGY-BZSNNMDCSA-N 3 1 364.534 0.725 20 0 FCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903813877 1218545460 /nfs/dbraw/zinc/54/54/60/1218545460.db2.gz BFBMALNMCUTDEG-UHFFFAOYSA-N 2 1 360.458 0.959 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000803995634 1218579638 /nfs/dbraw/zinc/57/96/38/1218579638.db2.gz JLJXSBSOMQHENE-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145875 1225851454 /nfs/dbraw/zinc/85/14/54/1225851454.db2.gz DEWHUCNNECBGTN-QGZVFWFLSA-N 2 1 358.402 0.388 20 0 FCADMP Cn1cncc1CN1CC[C@]2(CCCN2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145875 1225851456 /nfs/dbraw/zinc/85/14/56/1225851456.db2.gz DEWHUCNNECBGTN-QGZVFWFLSA-N 2 1 358.402 0.388 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)NC4CC4)C3)C2)CC[N@H+]1C ZINC001054134602 1218899016 /nfs/dbraw/zinc/89/90/16/1218899016.db2.gz IRLQCOIOPHGXLK-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001054134602 1218899018 /nfs/dbraw/zinc/89/90/18/1218899018.db2.gz IRLQCOIOPHGXLK-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(=O)NC4CC4)C3)C2)CC[NH+]1C ZINC001054134602 1218899019 /nfs/dbraw/zinc/89/90/19/1218899019.db2.gz IRLQCOIOPHGXLK-WRWLIDTKSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227224743 1225866900 /nfs/dbraw/zinc/86/69/00/1225866900.db2.gz IUFPXSXMSLPJNX-KFWWJZLASA-N 2 1 367.494 0.319 20 0 FCADMP CC(C)OCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055536849 1219071524 /nfs/dbraw/zinc/07/15/24/1219071524.db2.gz UGNQZFHTZWTLJF-NVXWUHKLSA-N 2 1 368.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001055538270 1219072178 /nfs/dbraw/zinc/07/21/78/1219072178.db2.gz BHBZQSGBHAOUOK-BFYDXBDKSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055587431 1219089732 /nfs/dbraw/zinc/08/97/32/1219089732.db2.gz BPMZBDCADKJKEA-KXBFYZLASA-N 2 1 366.506 0.060 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001055606129 1219096978 /nfs/dbraw/zinc/09/69/78/1219096978.db2.gz AGEVEALBVGJPQZ-QAPCUYQASA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804051644 1219104237 /nfs/dbraw/zinc/10/42/37/1219104237.db2.gz APOIPSXKILVEOZ-CVEARBPZSA-N 2 1 364.490 0.053 20 0 FCADMP Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057446 1219110715 /nfs/dbraw/zinc/11/07/15/1219110715.db2.gz PQRRJDAGEDFUHW-CVEARBPZSA-N 2 1 363.462 0.067 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057446 1219110722 /nfs/dbraw/zinc/11/07/22/1219110722.db2.gz PQRRJDAGEDFUHW-CVEARBPZSA-N 2 1 363.462 0.067 20 0 FCADMP Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057451 1219111213 /nfs/dbraw/zinc/11/12/13/1219111213.db2.gz PQRRJDAGEDFUHW-JKSUJKDBSA-N 2 1 363.462 0.067 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057451 1219111217 /nfs/dbraw/zinc/11/12/17/1219111217.db2.gz PQRRJDAGEDFUHW-JKSUJKDBSA-N 2 1 363.462 0.067 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057417 1219112523 /nfs/dbraw/zinc/11/25/23/1219112523.db2.gz PKMXNGKIKUSYCS-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804057417 1219112525 /nfs/dbraw/zinc/11/25/25/1219112525.db2.gz PKMXNGKIKUSYCS-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804057417 1219112528 /nfs/dbraw/zinc/11/25/28/1219112528.db2.gz PKMXNGKIKUSYCS-YESZJQIVSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070096387 1219168332 /nfs/dbraw/zinc/16/83/32/1219168332.db2.gz XERZSADXPQWTBG-XHSDSOJGSA-N 2 1 361.450 0.250 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070096387 1219168339 /nfs/dbraw/zinc/16/83/39/1219168339.db2.gz XERZSADXPQWTBG-XHSDSOJGSA-N 2 1 361.450 0.250 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444407 1225875064 /nfs/dbraw/zinc/87/50/64/1225875064.db2.gz QSBBMZGIYQTEQT-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444407 1225875066 /nfs/dbraw/zinc/87/50/66/1225875066.db2.gz QSBBMZGIYQTEQT-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227543467 1225878141 /nfs/dbraw/zinc/87/81/41/1225878141.db2.gz JYMRXDLSNVVKFC-RBSFLKMASA-N 2 1 361.490 0.913 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217615 1219299687 /nfs/dbraw/zinc/29/96/87/1219299687.db2.gz LAAIPLCQPGWAMJ-ZACQAIPSSA-N 2 1 357.462 0.555 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260350 1219330592 /nfs/dbraw/zinc/33/05/92/1219330592.db2.gz FAAFJBVTVLQPBC-IXDOHACOSA-N 2 1 364.494 0.385 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260350 1219330597 /nfs/dbraw/zinc/33/05/97/1219330597.db2.gz FAAFJBVTVLQPBC-IXDOHACOSA-N 2 1 364.494 0.385 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331355 1219382081 /nfs/dbraw/zinc/38/20/81/1219382081.db2.gz ROZNUUMUFOEUCP-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001070331355 1219382085 /nfs/dbraw/zinc/38/20/85/1219382085.db2.gz ROZNUUMUFOEUCP-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070540633 1219459791 /nfs/dbraw/zinc/45/97/91/1219459791.db2.gz AQZNOIMDAJHILR-GOEBONIOSA-N 2 1 360.462 0.317 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)O1 ZINC001070574797 1219476554 /nfs/dbraw/zinc/47/65/54/1219476554.db2.gz WESWGMVMAGPGHN-ZQDZILKHSA-N 2 1 364.494 0.981 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)n[nH]2)O1 ZINC001070574797 1219476555 /nfs/dbraw/zinc/47/65/55/1219476555.db2.gz WESWGMVMAGPGHN-ZQDZILKHSA-N 2 1 364.494 0.981 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)n[nH]2)O1 ZINC001070574797 1219476559 /nfs/dbraw/zinc/47/65/59/1219476559.db2.gz WESWGMVMAGPGHN-ZQDZILKHSA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC[NH+](C)CC3)n[nH]2)O1 ZINC001070575690 1219476576 /nfs/dbraw/zinc/47/65/76/1219476576.db2.gz JFIIZEMGRPKERA-LSDHHAIUSA-N 2 1 364.494 0.981 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C34CC[NH+](CC3)C4)n[nH]2)O1 ZINC001070575557 1219476870 /nfs/dbraw/zinc/47/68/70/1219476870.db2.gz BOWBDICZTVCYSZ-UONOGXRCSA-N 2 1 362.478 0.735 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228137748 1225897181 /nfs/dbraw/zinc/89/71/81/1225897181.db2.gz KYMRWPLNPAVLFP-RBSFLKMASA-N 2 1 367.494 0.320 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]Cc3ccon3)C2)CC[N@@H+]1C ZINC001070650335 1219507703 /nfs/dbraw/zinc/50/77/03/1219507703.db2.gz WMZJNBXCXCVFNZ-MWQQHZPXSA-N 2 1 372.473 0.833 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]Cc3ccon3)C2)CC[N@H+]1C ZINC001070650335 1219507707 /nfs/dbraw/zinc/50/77/07/1219507707.db2.gz WMZJNBXCXCVFNZ-MWQQHZPXSA-N 2 1 372.473 0.833 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001070913341 1219566339 /nfs/dbraw/zinc/56/63/39/1219566339.db2.gz IXYDLVCQUFSIET-BBWFWOEESA-N 2 1 364.490 0.987 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070913341 1219566342 /nfs/dbraw/zinc/56/63/42/1219566342.db2.gz IXYDLVCQUFSIET-BBWFWOEESA-N 2 1 364.490 0.987 20 0 FCADMP CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070913341 1219566345 /nfs/dbraw/zinc/56/63/45/1219566345.db2.gz IXYDLVCQUFSIET-BBWFWOEESA-N 2 1 364.490 0.987 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072751751 1219621403 /nfs/dbraw/zinc/62/14/03/1219621403.db2.gz CDQYJVTVEWCOSN-RHSMWYFYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072751751 1219621407 /nfs/dbraw/zinc/62/14/07/1219621407.db2.gz CDQYJVTVEWCOSN-RHSMWYFYSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072751751 1219621409 /nfs/dbraw/zinc/62/14/09/1219621409.db2.gz CDQYJVTVEWCOSN-RHSMWYFYSA-N 2 1 360.506 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC2CCCC2)C3)CC[N@@H+]1C ZINC001072751864 1219622218 /nfs/dbraw/zinc/62/22/18/1219622218.db2.gz IEAHQUYUMANITJ-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC2CCCC2)C3)CC[N@H+]1C ZINC001072751864 1219622221 /nfs/dbraw/zinc/62/22/21/1219622221.db2.gz IEAHQUYUMANITJ-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CCCC2)C3)CC[NH+]1C ZINC001072751864 1219622225 /nfs/dbraw/zinc/62/22/25/1219622225.db2.gz IEAHQUYUMANITJ-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CCCC2)C3)CC[NH+]1C ZINC001072751864 1219622228 /nfs/dbraw/zinc/62/22/28/1219622228.db2.gz IEAHQUYUMANITJ-NVXWUHKLSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@@H+]1C ZINC001073605863 1219671941 /nfs/dbraw/zinc/67/19/41/1219671941.db2.gz XCWXYHCZWWGHDR-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC3CC3)CCCO2)CC[N@H+]1C ZINC001073605863 1219671943 /nfs/dbraw/zinc/67/19/43/1219671943.db2.gz XCWXYHCZWWGHDR-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073605863 1219671947 /nfs/dbraw/zinc/67/19/47/1219671947.db2.gz XCWXYHCZWWGHDR-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)CCCO2)CC[NH+]1C ZINC001073605863 1219671949 /nfs/dbraw/zinc/67/19/49/1219671949.db2.gz XCWXYHCZWWGHDR-IXDOHACOSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCN3CCCC3=O)CCCO2)CC[N@H+]1C ZINC001073610968 1219672891 /nfs/dbraw/zinc/67/28/91/1219672891.db2.gz KDRFLIYGMNODNR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)CCCO2)CC[NH+]1C ZINC001073610968 1219672893 /nfs/dbraw/zinc/67/28/93/1219672893.db2.gz KDRFLIYGMNODNR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)CCCO2)CC[NH+]1C ZINC001073610968 1219672895 /nfs/dbraw/zinc/67/28/95/1219672895.db2.gz KDRFLIYGMNODNR-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)CCCO2)O1 ZINC001073660983 1219676047 /nfs/dbraw/zinc/67/60/47/1219676047.db2.gz TUPDWACRQQYQLR-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)CCCO2)O1 ZINC001073660983 1219676051 /nfs/dbraw/zinc/67/60/51/1219676051.db2.gz TUPDWACRQQYQLR-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)CCCO2)O1 ZINC001073660983 1219676053 /nfs/dbraw/zinc/67/60/53/1219676053.db2.gz TUPDWACRQQYQLR-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)CCCO2)O1 ZINC001073660983 1219676056 /nfs/dbraw/zinc/67/60/56/1219676056.db2.gz TUPDWACRQQYQLR-KBAYOESNSA-N 2 1 369.506 0.482 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785690 1219681860 /nfs/dbraw/zinc/68/18/60/1219681860.db2.gz PLWQZEJHTWNPEO-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785690 1219681862 /nfs/dbraw/zinc/68/18/62/1219681862.db2.gz PLWQZEJHTWNPEO-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785690 1219681865 /nfs/dbraw/zinc/68/18/65/1219681865.db2.gz PLWQZEJHTWNPEO-OTWHNJEPSA-N 2 1 361.486 0.531 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074709931 1219717711 /nfs/dbraw/zinc/71/77/11/1219717711.db2.gz WRWRMTDYDJKWSJ-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074709931 1219717713 /nfs/dbraw/zinc/71/77/13/1219717713.db2.gz WRWRMTDYDJKWSJ-LTIDMASMSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445976 1219782905 /nfs/dbraw/zinc/78/29/05/1219782905.db2.gz ZJYAUCILIJRFGO-ZJPYXAASSA-N 2 1 374.485 0.328 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445976 1219782907 /nfs/dbraw/zinc/78/29/07/1219782907.db2.gz ZJYAUCILIJRFGO-ZJPYXAASSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445976 1219782911 /nfs/dbraw/zinc/78/29/11/1219782911.db2.gz ZJYAUCILIJRFGO-ZJPYXAASSA-N 2 1 374.485 0.328 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)c(=O)c2)C1 ZINC001098445976 1219782914 /nfs/dbraw/zinc/78/29/14/1219782914.db2.gz ZJYAUCILIJRFGO-ZJPYXAASSA-N 2 1 374.485 0.328 20 0 FCADMP COCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098609411 1219805575 /nfs/dbraw/zinc/80/55/75/1219805575.db2.gz BHRKTBPLKHQPLV-IXDOHACOSA-N 2 1 369.506 0.434 20 0 FCADMP COCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098609411 1219805576 /nfs/dbraw/zinc/80/55/76/1219805576.db2.gz BHRKTBPLKHQPLV-IXDOHACOSA-N 2 1 369.506 0.434 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001098761424 1219821917 /nfs/dbraw/zinc/82/19/17/1219821917.db2.gz QZQISNZQAJOWJC-LNLFQRSKSA-N 2 1 360.506 0.960 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001098761424 1219821921 /nfs/dbraw/zinc/82/19/21/1219821921.db2.gz QZQISNZQAJOWJC-LNLFQRSKSA-N 2 1 360.506 0.960 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001098761424 1219821923 /nfs/dbraw/zinc/82/19/23/1219821923.db2.gz QZQISNZQAJOWJC-LNLFQRSKSA-N 2 1 360.506 0.960 20 0 FCADMP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001098841174 1219838248 /nfs/dbraw/zinc/83/82/48/1219838248.db2.gz BXQXDSRTFOFEMZ-KNBMTAEXSA-N 2 1 360.502 0.578 20 0 FCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841664 1219839022 /nfs/dbraw/zinc/83/90/22/1219839022.db2.gz MPWOCWMUYZPOLW-WDYCEAGBSA-N 2 1 358.490 0.628 20 0 FCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841664 1219839023 /nfs/dbraw/zinc/83/90/23/1219839023.db2.gz MPWOCWMUYZPOLW-WDYCEAGBSA-N 2 1 358.490 0.628 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001099009489 1219887605 /nfs/dbraw/zinc/88/76/05/1219887605.db2.gz BIFNEGINKMWNIQ-ZWOKBUDYSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001099062999 1219898339 /nfs/dbraw/zinc/89/83/39/1219898339.db2.gz OEBZTIGNDWYRMV-ZWOKBUDYSA-N 2 1 362.518 0.920 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCCNC2=O)C3)CC1 ZINC001099094011 1219909752 /nfs/dbraw/zinc/90/97/52/1219909752.db2.gz PXYOXJCYUOTQJF-QKLQHJQFSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCN2CCCC2=O)C3)C1 ZINC001099159535 1219935219 /nfs/dbraw/zinc/93/52/19/1219935219.db2.gz HOHCWIQWMDUNDY-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCN2CCCC2=O)C3)C1 ZINC001099159535 1219935224 /nfs/dbraw/zinc/93/52/24/1219935224.db2.gz HOHCWIQWMDUNDY-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCN2CCCC2=O)C3)C1 ZINC001099159535 1219935229 /nfs/dbraw/zinc/93/52/29/1219935229.db2.gz HOHCWIQWMDUNDY-ZWOKBUDYSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCN2CCCC2=O)C3)C1 ZINC001099159534 1219935653 /nfs/dbraw/zinc/93/56/53/1219935653.db2.gz HOHCWIQWMDUNDY-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCN2CCCC2=O)C3)C1 ZINC001099159534 1219935656 /nfs/dbraw/zinc/93/56/56/1219935656.db2.gz HOHCWIQWMDUNDY-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCN2CCCC2=O)C3)C1 ZINC001099159534 1219935659 /nfs/dbraw/zinc/93/56/59/1219935659.db2.gz HOHCWIQWMDUNDY-UWVAXJGDSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001099436371 1219995958 /nfs/dbraw/zinc/99/59/58/1219995958.db2.gz NNVVJJMWUJQXEW-GFIVTLFCSA-N 2 1 360.506 0.874 20 0 FCADMP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)C[N@@H+](C)C2CCC2)C3)C1=O ZINC001099447208 1219999886 /nfs/dbraw/zinc/99/98/86/1219999886.db2.gz ZAJRFKZYRYRWQF-VPWXQRGCSA-N 2 1 362.518 0.920 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C3)n1 ZINC001099454228 1220002990 /nfs/dbraw/zinc/00/29/90/1220002990.db2.gz CNTBLHAUBZKXOX-MPGHIAIKSA-N 2 1 361.494 0.413 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CCCC[N@H+]2C)C3)n1 ZINC001099454228 1220002996 /nfs/dbraw/zinc/00/29/96/1220002996.db2.gz CNTBLHAUBZKXOX-MPGHIAIKSA-N 2 1 361.494 0.413 20 0 FCADMP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001099454471 1220003819 /nfs/dbraw/zinc/00/38/19/1220003819.db2.gz JVAAUSJDWSMUGZ-MPGHIAIKSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncnn3C)C2)C1 ZINC001099500556 1220016466 /nfs/dbraw/zinc/01/64/66/1220016466.db2.gz VVCGTGILSXFHSG-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243608 1220242576 /nfs/dbraw/zinc/24/25/76/1220242576.db2.gz RFHRPAPEYXJDAN-VIPLHTEESA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243608 1220242579 /nfs/dbraw/zinc/24/25/79/1220242579.db2.gz RFHRPAPEYXJDAN-VIPLHTEESA-N 2 1 364.534 0.879 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243608 1220242583 /nfs/dbraw/zinc/24/25/83/1220242583.db2.gz RFHRPAPEYXJDAN-VIPLHTEESA-N 2 1 364.534 0.879 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267577 1220256321 /nfs/dbraw/zinc/25/63/21/1220256321.db2.gz KTXWXSMQRNKPKW-KPFFTGBYSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001101277448 1220263603 /nfs/dbraw/zinc/26/36/03/1220263603.db2.gz IHFMDVWVUHUVPD-MDZRGWNJSA-N 2 1 367.538 0.815 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290239 1220270825 /nfs/dbraw/zinc/27/08/25/1220270825.db2.gz GVFRLVBPIJVCNS-APWZRJJASA-N 2 1 362.518 0.921 20 0 FCADMP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101299208 1220276279 /nfs/dbraw/zinc/27/62/79/1220276279.db2.gz NEVPBQFFWFRBAY-APWZRJJASA-N 2 1 358.442 0.737 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101310540 1220280957 /nfs/dbraw/zinc/28/09/57/1220280957.db2.gz LRJUPGUMESWXRX-POAQFYNOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@]12CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101310574 1220281319 /nfs/dbraw/zinc/28/13/19/1220281319.db2.gz NAOZVMSUMHZTQL-HBFSDRIKSA-N 2 1 365.518 0.650 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344736 1220295494 /nfs/dbraw/zinc/29/54/94/1220295494.db2.gz BTYGLCKNIRAROC-MJGOQNOKSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363908 1220302561 /nfs/dbraw/zinc/30/25/61/1220302561.db2.gz FOLCBXJKEFJFSY-MDYRTPRTSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363908 1220302568 /nfs/dbraw/zinc/30/25/68/1220302568.db2.gz FOLCBXJKEFJFSY-MDYRTPRTSA-N 2 1 362.518 0.635 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101363908 1220302574 /nfs/dbraw/zinc/30/25/74/1220302574.db2.gz FOLCBXJKEFJFSY-MDYRTPRTSA-N 2 1 362.518 0.635 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365869 1220304464 /nfs/dbraw/zinc/30/44/64/1220304464.db2.gz NHXRPZZKTJUUKW-UZLBHIALSA-N 2 1 364.534 0.977 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365869 1220304470 /nfs/dbraw/zinc/30/44/70/1220304470.db2.gz NHXRPZZKTJUUKW-UZLBHIALSA-N 2 1 364.534 0.977 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365869 1220304474 /nfs/dbraw/zinc/30/44/74/1220304474.db2.gz NHXRPZZKTJUUKW-UZLBHIALSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392722 1220319884 /nfs/dbraw/zinc/31/98/84/1220319884.db2.gz AXCRMOQPEKZUJL-FCEWJHQRSA-N 2 1 366.506 0.143 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392722 1220319889 /nfs/dbraw/zinc/31/98/89/1220319889.db2.gz AXCRMOQPEKZUJL-FCEWJHQRSA-N 2 1 366.506 0.143 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397694 1220322981 /nfs/dbraw/zinc/32/29/81/1220322981.db2.gz CJHJBWQIZCIOHC-APWZRJJASA-N 2 1 368.522 0.261 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432314 1220341540 /nfs/dbraw/zinc/34/15/40/1220341540.db2.gz LKNOZGZQIGFDFY-RKVPGOIHSA-N 2 1 364.494 0.235 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432314 1220341542 /nfs/dbraw/zinc/34/15/42/1220341542.db2.gz LKNOZGZQIGFDFY-RKVPGOIHSA-N 2 1 364.494 0.235 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1)C1CC1 ZINC001101461438 1220359486 /nfs/dbraw/zinc/35/94/86/1220359486.db2.gz BIADFTABGSYIBQ-VPWXQRGCSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461633 1220360359 /nfs/dbraw/zinc/36/03/59/1220360359.db2.gz MJDQBXMDSNIRNM-APWZRJJASA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478296 1220367558 /nfs/dbraw/zinc/36/75/58/1220367558.db2.gz IGXNMSLNWGWXSI-APWZRJJASA-N 2 1 367.538 0.815 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478296 1220367564 /nfs/dbraw/zinc/36/75/64/1220367564.db2.gz IGXNMSLNWGWXSI-APWZRJJASA-N 2 1 367.538 0.815 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478296 1220367565 /nfs/dbraw/zinc/36/75/65/1220367565.db2.gz IGXNMSLNWGWXSI-APWZRJJASA-N 2 1 367.538 0.815 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478397 1220368294 /nfs/dbraw/zinc/36/82/94/1220368294.db2.gz MDBQWDYAFRRINH-MDZRGWNJSA-N 2 1 360.506 0.886 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478397 1220368298 /nfs/dbraw/zinc/36/82/98/1220368298.db2.gz MDBQWDYAFRRINH-MDZRGWNJSA-N 2 1 360.506 0.886 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478397 1220368302 /nfs/dbraw/zinc/36/83/02/1220368302.db2.gz MDBQWDYAFRRINH-MDZRGWNJSA-N 2 1 360.506 0.886 20 0 FCADMP COCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccn12 ZINC001101628024 1220379119 /nfs/dbraw/zinc/37/91/19/1220379119.db2.gz TVOHMAHQPMXUQZ-BZUAXINKSA-N 2 1 361.490 0.832 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843909 1220413726 /nfs/dbraw/zinc/41/37/26/1220413726.db2.gz CHXQNBIWQCEXAY-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843909 1220413729 /nfs/dbraw/zinc/41/37/29/1220413729.db2.gz CHXQNBIWQCEXAY-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843909 1220413732 /nfs/dbraw/zinc/41/37/32/1220413732.db2.gz CHXQNBIWQCEXAY-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1)C1CC1 ZINC001101843909 1220413735 /nfs/dbraw/zinc/41/37/35/1220413735.db2.gz CHXQNBIWQCEXAY-INMHGKMJSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045138 1220475805 /nfs/dbraw/zinc/47/58/05/1220475805.db2.gz SSBJUZHUIJEXGE-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045138 1220475806 /nfs/dbraw/zinc/47/58/06/1220475806.db2.gz SSBJUZHUIJEXGE-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102045138 1220475811 /nfs/dbraw/zinc/47/58/11/1220475811.db2.gz SSBJUZHUIJEXGE-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071264 1220486199 /nfs/dbraw/zinc/48/61/99/1220486199.db2.gz IPFQPHNDTGLNMF-ZACQAIPSSA-N 2 1 369.554 0.964 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102103344 1220495580 /nfs/dbraw/zinc/49/55/80/1220495580.db2.gz ONWLIDKJGUGCJT-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102103344 1220495583 /nfs/dbraw/zinc/49/55/83/1220495583.db2.gz ONWLIDKJGUGCJT-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102103344 1220495587 /nfs/dbraw/zinc/49/55/87/1220495587.db2.gz ONWLIDKJGUGCJT-HZPDHXFCSA-N 2 1 370.538 0.554 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101096 1220495661 /nfs/dbraw/zinc/49/56/61/1220495661.db2.gz MSNALELEEDFEOF-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101096 1220495664 /nfs/dbraw/zinc/49/56/64/1220495664.db2.gz MSNALELEEDFEOF-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101096 1220495668 /nfs/dbraw/zinc/49/56/68/1220495668.db2.gz MSNALELEEDFEOF-HZSPNIEDSA-N 2 1 369.510 0.245 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156176 1220527288 /nfs/dbraw/zinc/52/72/88/1220527288.db2.gz LJMVUFHOJXVBMS-RHSMWYFYSA-N 2 1 365.478 0.028 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156176 1220527294 /nfs/dbraw/zinc/52/72/94/1220527294.db2.gz LJMVUFHOJXVBMS-RHSMWYFYSA-N 2 1 365.478 0.028 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102155816 1220527348 /nfs/dbraw/zinc/52/73/48/1220527348.db2.gz DOZCUNOYKOZMLA-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102155816 1220527352 /nfs/dbraw/zinc/52/73/52/1220527352.db2.gz DOZCUNOYKOZMLA-CZUORRHYSA-N 2 1 359.478 0.996 20 0 FCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215792 1220557800 /nfs/dbraw/zinc/55/78/00/1220557800.db2.gz ZHGSZNLARGSESC-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215792 1220557806 /nfs/dbraw/zinc/55/78/06/1220557806.db2.gz ZHGSZNLARGSESC-QLFBSQMISA-N 2 1 363.510 0.830 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290358 1220576284 /nfs/dbraw/zinc/57/62/84/1220576284.db2.gz ACBMLPFTLYBHMG-OAGGEKHMSA-N 2 1 360.506 0.791 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](CC)CC ZINC001102357878 1220590615 /nfs/dbraw/zinc/59/06/15/1220590615.db2.gz MXDHTIRWYAKVMK-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368321 1220595642 /nfs/dbraw/zinc/59/56/42/1220595642.db2.gz PODYQYVYPNHRJB-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368321 1220595645 /nfs/dbraw/zinc/59/56/45/1220595645.db2.gz PODYQYVYPNHRJB-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368321 1220595650 /nfs/dbraw/zinc/59/56/50/1220595650.db2.gz PODYQYVYPNHRJB-IXDOHACOSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434279 1220622971 /nfs/dbraw/zinc/62/29/71/1220622971.db2.gz XTJJDZGTSCGADX-NVXWUHKLSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434190 1220623304 /nfs/dbraw/zinc/62/33/04/1220623304.db2.gz SMUDAMFSVYMHHV-IIAWOOMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434190 1220623307 /nfs/dbraw/zinc/62/33/07/1220623307.db2.gz SMUDAMFSVYMHHV-IIAWOOMASA-N 2 1 363.510 0.687 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102466239 1220637019 /nfs/dbraw/zinc/63/70/19/1220637019.db2.gz JVOJXFHTKDQLFV-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001102466239 1220637021 /nfs/dbraw/zinc/63/70/21/1220637021.db2.gz JVOJXFHTKDQLFV-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102467890 1220637047 /nfs/dbraw/zinc/63/70/47/1220637047.db2.gz YNQAHKZGIDLHLY-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102467890 1220637048 /nfs/dbraw/zinc/63/70/48/1220637048.db2.gz YNQAHKZGIDLHLY-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102472189 1220641803 /nfs/dbraw/zinc/64/18/03/1220641803.db2.gz NGPGAKNORWZYQU-HUUCEWRRSA-N 2 1 369.510 0.378 20 0 FCADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102472189 1220641808 /nfs/dbraw/zinc/64/18/08/1220641808.db2.gz NGPGAKNORWZYQU-HUUCEWRRSA-N 2 1 369.510 0.378 20 0 FCADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102472189 1220641813 /nfs/dbraw/zinc/64/18/13/1220641813.db2.gz NGPGAKNORWZYQU-HUUCEWRRSA-N 2 1 369.510 0.378 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480203 1220647505 /nfs/dbraw/zinc/64/75/05/1220647505.db2.gz CPXANCZETTXRAF-SJLPKXTDSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486735 1220650694 /nfs/dbraw/zinc/65/06/94/1220650694.db2.gz SKTLJEPPNXLPKI-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488695 1220652468 /nfs/dbraw/zinc/65/24/68/1220652468.db2.gz FDMXRVQQCUQYJK-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488695 1220652470 /nfs/dbraw/zinc/65/24/70/1220652470.db2.gz FDMXRVQQCUQYJK-HUUCEWRRSA-N 2 1 364.494 0.110 20 0 FCADMP CC(C)c1noc(C[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511395 1220670131 /nfs/dbraw/zinc/67/01/31/1220670131.db2.gz VPDJRQNMYGUWSV-HUUCEWRRSA-N 2 1 367.494 0.955 20 0 FCADMP CC(C)c1noc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511395 1220670134 /nfs/dbraw/zinc/67/01/34/1220670134.db2.gz VPDJRQNMYGUWSV-HUUCEWRRSA-N 2 1 367.494 0.955 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511226 1220670427 /nfs/dbraw/zinc/67/04/27/1220670427.db2.gz NVMPGXCBROKOKS-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)o2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511041 1220670530 /nfs/dbraw/zinc/67/05/30/1220670530.db2.gz HBGDEJXMTRJEQW-UKRRQHHQSA-N 2 1 365.478 0.709 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)o2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511041 1220670533 /nfs/dbraw/zinc/67/05/33/1220670533.db2.gz HBGDEJXMTRJEQW-UKRRQHHQSA-N 2 1 365.478 0.709 20 0 FCADMP CCc1nnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513682 1220671913 /nfs/dbraw/zinc/67/19/13/1220671913.db2.gz WYCTXYPOLBXMGN-QLFBSQMISA-N 2 1 366.510 0.690 20 0 FCADMP CCc1nnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)[nH]1 ZINC001102513682 1220671915 /nfs/dbraw/zinc/67/19/15/1220671915.db2.gz WYCTXYPOLBXMGN-QLFBSQMISA-N 2 1 366.510 0.690 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513639 1220672065 /nfs/dbraw/zinc/67/20/65/1220672065.db2.gz UVCJFTMWROGTDJ-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102513746 1220672360 /nfs/dbraw/zinc/67/23/60/1220672360.db2.gz ZXXHKMZQBWJVGO-GDBMZVCRSA-N 2 1 367.494 0.573 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514420 1220673363 /nfs/dbraw/zinc/67/33/63/1220673363.db2.gz WVTBBDDMSGNDCQ-HZPDHXFCSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514142 1220673580 /nfs/dbraw/zinc/67/35/80/1220673580.db2.gz OHCFCZLFFOLPDO-HLLBOEOZSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514191 1220673779 /nfs/dbraw/zinc/67/37/79/1220673779.db2.gz QCWVDTBACOLMNT-KURKYZTESA-N 2 1 365.518 0.962 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102525372 1220682166 /nfs/dbraw/zinc/68/21/66/1220682166.db2.gz ZBUMGLHCZNXGTN-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102525372 1220682168 /nfs/dbraw/zinc/68/21/68/1220682168.db2.gz ZBUMGLHCZNXGTN-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001102525372 1220682170 /nfs/dbraw/zinc/68/21/70/1220682170.db2.gz ZBUMGLHCZNXGTN-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579867 1220701651 /nfs/dbraw/zinc/70/16/51/1220701651.db2.gz UUUJUAWAWRFYSZ-QLFBSQMISA-N 2 1 361.494 0.849 20 0 FCADMP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579867 1220701652 /nfs/dbraw/zinc/70/16/52/1220701652.db2.gz UUUJUAWAWRFYSZ-QLFBSQMISA-N 2 1 361.494 0.849 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580501 1220703255 /nfs/dbraw/zinc/70/32/55/1220703255.db2.gz ZMVHIXUDUKATCE-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580501 1220703259 /nfs/dbraw/zinc/70/32/59/1220703259.db2.gz ZMVHIXUDUKATCE-GDBMZVCRSA-N 2 1 365.478 0.028 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781984 1220782535 /nfs/dbraw/zinc/78/25/35/1220782535.db2.gz FUETXVGRXCMGDH-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781984 1220782540 /nfs/dbraw/zinc/78/25/40/1220782540.db2.gz FUETXVGRXCMGDH-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102781984 1220782547 /nfs/dbraw/zinc/78/25/47/1220782547.db2.gz FUETXVGRXCMGDH-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102781984 1220782554 /nfs/dbraw/zinc/78/25/54/1220782554.db2.gz FUETXVGRXCMGDH-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)nn1C ZINC001102819391 1220791780 /nfs/dbraw/zinc/79/17/80/1220791780.db2.gz SBMQTSUAYVNTTD-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)nn1C ZINC001102819391 1220791788 /nfs/dbraw/zinc/79/17/88/1220791788.db2.gz SBMQTSUAYVNTTD-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1C ZINC001102819391 1220791796 /nfs/dbraw/zinc/79/17/96/1220791796.db2.gz SBMQTSUAYVNTTD-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1C ZINC001102819391 1220791800 /nfs/dbraw/zinc/79/18/00/1220791800.db2.gz SBMQTSUAYVNTTD-KYJSFNMBSA-N 2 1 363.506 0.633 20 0 FCADMP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819672 1220791868 /nfs/dbraw/zinc/79/18/68/1220791868.db2.gz ZWQGUIUNGHFILO-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819672 1220791872 /nfs/dbraw/zinc/79/18/72/1220791872.db2.gz ZWQGUIUNGHFILO-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819672 1220791875 /nfs/dbraw/zinc/79/18/75/1220791875.db2.gz ZWQGUIUNGHFILO-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819672 1220791878 /nfs/dbraw/zinc/79/18/78/1220791878.db2.gz ZWQGUIUNGHFILO-NXHRZFHOSA-N 2 1 363.506 0.367 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977178 1220815794 /nfs/dbraw/zinc/81/57/94/1220815794.db2.gz PTBQLKGOSVSXSM-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977178 1220815795 /nfs/dbraw/zinc/81/57/95/1220815795.db2.gz PTBQLKGOSVSXSM-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102977178 1220815798 /nfs/dbraw/zinc/81/57/98/1220815798.db2.gz PTBQLKGOSVSXSM-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103060231 1220826760 /nfs/dbraw/zinc/82/67/60/1220826760.db2.gz BLGKJOIIGIZJSU-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001103060231 1220826761 /nfs/dbraw/zinc/82/67/61/1220826761.db2.gz BLGKJOIIGIZJSU-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001103060231 1220826763 /nfs/dbraw/zinc/82/67/63/1220826763.db2.gz BLGKJOIIGIZJSU-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001103060231 1220826764 /nfs/dbraw/zinc/82/67/64/1220826764.db2.gz BLGKJOIIGIZJSU-OAGGEKHMSA-N 2 1 363.510 0.659 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136897 1220838741 /nfs/dbraw/zinc/83/87/41/1220838741.db2.gz RZQGWMQIQMTEKK-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136897 1220838742 /nfs/dbraw/zinc/83/87/42/1220838742.db2.gz RZQGWMQIQMTEKK-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136897 1220838745 /nfs/dbraw/zinc/83/87/45/1220838745.db2.gz RZQGWMQIQMTEKK-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136897 1220838746 /nfs/dbraw/zinc/83/87/46/1220838746.db2.gz RZQGWMQIQMTEKK-KCYZZUKISA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103143216 1220840587 /nfs/dbraw/zinc/84/05/87/1220840587.db2.gz MRFIOWQHPVEXRV-OWCLPIDISA-N 2 1 368.522 0.293 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001103143215 1220840685 /nfs/dbraw/zinc/84/06/85/1220840685.db2.gz MRFIOWQHPVEXRV-BZUAXINKSA-N 2 1 368.522 0.293 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103156485 1220841911 /nfs/dbraw/zinc/84/19/11/1220841911.db2.gz GFSUCENWPJVSPS-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103156485 1220841913 /nfs/dbraw/zinc/84/19/13/1220841913.db2.gz GFSUCENWPJVSPS-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103156485 1220841914 /nfs/dbraw/zinc/84/19/14/1220841914.db2.gz GFSUCENWPJVSPS-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232532 1220855009 /nfs/dbraw/zinc/85/50/09/1220855009.db2.gz SUGKNXQSILWDIJ-CKEIUWERSA-N 2 1 355.442 0.911 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378795 1220873285 /nfs/dbraw/zinc/87/32/85/1220873285.db2.gz KZKNOLWBRPNCLQ-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396741 1220877187 /nfs/dbraw/zinc/87/71/87/1220877187.db2.gz HSGDSNRUDUEEJH-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396741 1220877191 /nfs/dbraw/zinc/87/71/91/1220877191.db2.gz HSGDSNRUDUEEJH-HUUCEWRRSA-N 2 1 362.478 0.441 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+](CC)CC ZINC001103426948 1220880578 /nfs/dbraw/zinc/88/05/78/1220880578.db2.gz UISCBKJWLHSKLM-OAGGEKHMSA-N 2 1 365.526 0.905 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+](CC)CC ZINC001103426948 1220880582 /nfs/dbraw/zinc/88/05/82/1220880582.db2.gz UISCBKJWLHSKLM-OAGGEKHMSA-N 2 1 365.526 0.905 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537029 1220897450 /nfs/dbraw/zinc/89/74/50/1220897450.db2.gz OPLYZTLPGDETAB-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537029 1220897452 /nfs/dbraw/zinc/89/74/52/1220897452.db2.gz OPLYZTLPGDETAB-BRWVUGGUSA-N 2 1 368.522 0.260 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103613922 1220913696 /nfs/dbraw/zinc/91/36/96/1220913696.db2.gz BHRRKSLKMHIDPV-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103613922 1220913699 /nfs/dbraw/zinc/91/36/99/1220913699.db2.gz BHRRKSLKMHIDPV-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103613922 1220913700 /nfs/dbraw/zinc/91/37/00/1220913700.db2.gz BHRRKSLKMHIDPV-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103612523 1220913975 /nfs/dbraw/zinc/91/39/75/1220913975.db2.gz GYBHGQWPVONGLZ-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103612523 1220913982 /nfs/dbraw/zinc/91/39/82/1220913982.db2.gz GYBHGQWPVONGLZ-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103612523 1220913990 /nfs/dbraw/zinc/91/39/90/1220913990.db2.gz GYBHGQWPVONGLZ-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nc1 ZINC001103641995 1220926473 /nfs/dbraw/zinc/92/64/73/1220926473.db2.gz LTCXGTAACKBYBY-IAGOWNOFSA-N 2 1 363.506 0.937 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718890 1220951094 /nfs/dbraw/zinc/95/10/94/1220951094.db2.gz JDIXIARQAFDAFU-KFWWJZLASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718890 1220951095 /nfs/dbraw/zinc/95/10/95/1220951095.db2.gz JDIXIARQAFDAFU-KFWWJZLASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718890 1220951096 /nfs/dbraw/zinc/95/10/96/1220951096.db2.gz JDIXIARQAFDAFU-KFWWJZLASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718890 1220951099 /nfs/dbraw/zinc/95/10/99/1220951099.db2.gz JDIXIARQAFDAFU-KFWWJZLASA-N 2 1 364.494 0.662 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[NH+](C)C3)C2)n1C ZINC001103719070 1220951156 /nfs/dbraw/zinc/95/11/56/1220951156.db2.gz PIFOBWQZDNGSRR-OAGGEKHMSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[NH+](C)C3)C2)n1C ZINC001103719070 1220951159 /nfs/dbraw/zinc/95/11/59/1220951159.db2.gz PIFOBWQZDNGSRR-OAGGEKHMSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1C ZINC001103719070 1220951164 /nfs/dbraw/zinc/95/11/64/1220951164.db2.gz PIFOBWQZDNGSRR-OAGGEKHMSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1C ZINC001103719070 1220951166 /nfs/dbraw/zinc/95/11/66/1220951166.db2.gz PIFOBWQZDNGSRR-OAGGEKHMSA-N 2 1 362.522 0.903 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001103740473 1220958024 /nfs/dbraw/zinc/95/80/24/1220958024.db2.gz JDJZWTXKXWIUMP-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCOC)C[C@H]2C)C1 ZINC001103740473 1220958026 /nfs/dbraw/zinc/95/80/26/1220958026.db2.gz JDJZWTXKXWIUMP-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCOC)C[C@H]2C)C1 ZINC001103740473 1220958030 /nfs/dbraw/zinc/95/80/30/1220958030.db2.gz JDJZWTXKXWIUMP-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)C1 ZINC001103740473 1220958031 /nfs/dbraw/zinc/95/80/31/1220958031.db2.gz JDJZWTXKXWIUMP-KZNAEPCWSA-N 2 1 371.522 0.444 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001104213837 1221022373 /nfs/dbraw/zinc/02/23/73/1221022373.db2.gz SUWUYYGMMVYKIQ-LVQVYYBASA-N 2 1 363.510 0.515 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751201 1221089227 /nfs/dbraw/zinc/08/92/27/1221089227.db2.gz LRMVFWGFFDYOQN-ZWOKBUDYSA-N 2 1 362.518 0.824 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001111811685 1221123859 /nfs/dbraw/zinc/12/38/59/1221123859.db2.gz KZDULUBZFDFAHA-OXNJRSESSA-N 2 1 363.502 0.857 20 0 FCADMP COCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001111811685 1221123863 /nfs/dbraw/zinc/12/38/63/1221123863.db2.gz KZDULUBZFDFAHA-OXNJRSESSA-N 2 1 363.502 0.857 20 0 FCADMP COCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001111811685 1221123867 /nfs/dbraw/zinc/12/38/67/1221123867.db2.gz KZDULUBZFDFAHA-OXNJRSESSA-N 2 1 363.502 0.857 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCc1ccco1)C2 ZINC001111861420 1221140676 /nfs/dbraw/zinc/14/06/76/1221140676.db2.gz MIBZMGZMIOZXTF-KXBFYZLASA-N 2 1 362.474 0.818 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCc1ccco1)C2 ZINC001111861420 1221140678 /nfs/dbraw/zinc/14/06/78/1221140678.db2.gz MIBZMGZMIOZXTF-KXBFYZLASA-N 2 1 362.474 0.818 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@H+](CCn1cccn1)C2 ZINC001111905695 1221160005 /nfs/dbraw/zinc/16/00/05/1221160005.db2.gz JZAKJJGXXFGXOL-HKUYNNGSSA-N 2 1 361.490 0.576 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC001111905695 1221160008 /nfs/dbraw/zinc/16/00/08/1221160008.db2.gz JZAKJJGXXFGXOL-HKUYNNGSSA-N 2 1 361.490 0.576 20 0 FCADMP O=C(NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001111938248 1221178703 /nfs/dbraw/zinc/17/87/03/1221178703.db2.gz SKSLAFMJEQMKOS-JXFKEZNVSA-N 2 1 360.502 0.579 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111938129 1221179002 /nfs/dbraw/zinc/17/90/02/1221179002.db2.gz MKAIGUMKTJASBW-BXWFABGCSA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001111949369 1221182248 /nfs/dbraw/zinc/18/22/48/1221182248.db2.gz AUYDPFBUEXAYJW-LNLFQRSKSA-N 2 1 363.506 0.557 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1nnc2n1CCOC2 ZINC001229859735 1226037105 /nfs/dbraw/zinc/03/71/05/1226037105.db2.gz CXHUXTQHSXJZOO-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001229859735 1226037123 /nfs/dbraw/zinc/03/71/23/1226037123.db2.gz CXHUXTQHSXJZOO-HUUCEWRRSA-N 2 1 364.494 0.667 20 0 FCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001117023003 1221434807 /nfs/dbraw/zinc/43/48/07/1221434807.db2.gz UWJFCBQNMYSJFQ-UHFFFAOYSA-N 2 1 367.538 0.119 20 0 FCADMP Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001117076274 1221456986 /nfs/dbraw/zinc/45/69/86/1221456986.db2.gz NCQJOLLMYYXZPB-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001117076274 1221456988 /nfs/dbraw/zinc/45/69/88/1221456988.db2.gz NCQJOLLMYYXZPB-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001117076274 1221456991 /nfs/dbraw/zinc/45/69/91/1221456991.db2.gz NCQJOLLMYYXZPB-PVAVHDDUSA-N 2 1 361.490 0.887 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147619 1226058388 /nfs/dbraw/zinc/05/83/88/1226058388.db2.gz KBVOLKQJOXHJNA-IACUBPJLSA-N 2 1 364.450 0.053 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147240 1226058573 /nfs/dbraw/zinc/05/85/73/1226058573.db2.gz AOFPNNGWKKQLSI-IAGOWNOFSA-N 2 1 365.478 0.361 20 0 FCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CC[NH2+]CC2 ZINC001118086391 1221707196 /nfs/dbraw/zinc/70/71/96/1221707196.db2.gz SJWBXJUGJKLKGQ-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP COc1cc2c(c(OC)c1OC)CC[N@H+](CC(=O)N1CC[NH2+]CC1)CC2 ZINC001118198514 1221731736 /nfs/dbraw/zinc/73/17/36/1221731736.db2.gz NSEIRMZOKRIRKJ-UHFFFAOYSA-N 2 1 363.458 0.545 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)CC1 ZINC001118273022 1221748285 /nfs/dbraw/zinc/74/82/85/1221748285.db2.gz PEFDIVYCRHXPOV-QGZVFWFLSA-N 2 1 367.538 0.058 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1CC[NH2+]CCC12CCOCC2)[NH+]1CCOCC1 ZINC001120465029 1222090239 /nfs/dbraw/zinc/09/02/39/1222090239.db2.gz LCQLHRUDUXALAH-QGZVFWFLSA-N 2 1 368.522 0.897 20 0 FCADMP CC(C)[C@H](CNC(=O)N1CC[NH2+]CCC12CCOCC2)[NH+]1CCOCC1 ZINC001120465028 1222090383 /nfs/dbraw/zinc/09/03/83/1222090383.db2.gz LCQLHRUDUXALAH-KRWDZBQOSA-N 2 1 368.522 0.897 20 0 FCADMP CC(=O)N1CCN(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001120481474 1222092829 /nfs/dbraw/zinc/09/28/29/1222092829.db2.gz OYIAUKHXIUEVKT-HXUWFJFHSA-N 2 1 360.502 0.377 20 0 FCADMP CC(=O)N1CCN(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001120481474 1222092834 /nfs/dbraw/zinc/09/28/34/1222092834.db2.gz OYIAUKHXIUEVKT-HXUWFJFHSA-N 2 1 360.502 0.377 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001120676219 1222114774 /nfs/dbraw/zinc/11/47/74/1222114774.db2.gz VQOQWBHYUNYKHV-BRWVUGGUSA-N 2 1 365.522 0.761 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001122137011 1222243727 /nfs/dbraw/zinc/24/37/27/1222243727.db2.gz UAAIRCKKJUKIPB-BBWFWOEESA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001122137011 1222243731 /nfs/dbraw/zinc/24/37/31/1222243731.db2.gz UAAIRCKKJUKIPB-BBWFWOEESA-N 3 1 367.538 0.295 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001122137011 1222243737 /nfs/dbraw/zinc/24/37/37/1222243737.db2.gz UAAIRCKKJUKIPB-BBWFWOEESA-N 3 1 367.538 0.295 20 0 FCADMP [NH3+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C12CCC2 ZINC001122340272 1222265282 /nfs/dbraw/zinc/26/52/82/1222265282.db2.gz DCAXJSAXMFRWDL-XHSDSOJGSA-N 2 1 364.490 0.086 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCCCC[NH2+]1 ZINC001122392560 1222271550 /nfs/dbraw/zinc/27/15/50/1222271550.db2.gz VQADATHYVJUCKW-IAGOWNOFSA-N 2 1 366.506 0.348 20 0 FCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC001231700477 1226117411 /nfs/dbraw/zinc/11/74/11/1226117411.db2.gz ILACIDODJJXMPP-UHFFFAOYSA-N 2 1 359.430 0.212 20 0 FCADMP Cc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)nn1C ZINC001138826995 1222526355 /nfs/dbraw/zinc/52/63/55/1222526355.db2.gz HUTVTSPUYFXSBQ-UHFFFAOYSA-N 2 1 362.522 0.399 20 0 FCADMP Cc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)nn1C ZINC001138826995 1222526357 /nfs/dbraw/zinc/52/63/57/1222526357.db2.gz HUTVTSPUYFXSBQ-UHFFFAOYSA-N 2 1 362.522 0.399 20 0 FCADMP CN(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1 ZINC001139435685 1222550310 /nfs/dbraw/zinc/55/03/10/1222550310.db2.gz ATHNNTXOQCKIOC-QGZVFWFLSA-N 2 1 361.490 0.560 20 0 FCADMP CNc1nccc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)n1 ZINC001140040397 1222565232 /nfs/dbraw/zinc/56/52/32/1222565232.db2.gz AIVBIXHKBLSZHS-UHFFFAOYSA-N 2 1 356.474 0.842 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000834589697 1222580569 /nfs/dbraw/zinc/58/05/69/1222580569.db2.gz RXTNOLCPJLAKIS-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000834589697 1222580572 /nfs/dbraw/zinc/58/05/72/1222580572.db2.gz RXTNOLCPJLAKIS-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000834589697 1222580579 /nfs/dbraw/zinc/58/05/79/1222580579.db2.gz RXTNOLCPJLAKIS-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000834589697 1222580584 /nfs/dbraw/zinc/58/05/84/1222580584.db2.gz RXTNOLCPJLAKIS-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CCOC(=O)c1ncn(C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c1N ZINC000838970304 1222695947 /nfs/dbraw/zinc/69/59/47/1222695947.db2.gz HBYGGSAZRZDAMH-HNNXBMFYSA-N 2 1 365.478 0.736 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3COC[C@@H]3OC)cc2)CC1 ZINC000839199998 1222700841 /nfs/dbraw/zinc/70/08/41/1222700841.db2.gz RBLMWURTVOTBKA-MSOLQXFVSA-N 2 1 362.474 0.770 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000841234317 1222815385 /nfs/dbraw/zinc/81/53/85/1222815385.db2.gz HRMDFCKDBQHWNK-HXUWFJFHSA-N 2 1 373.501 0.964 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000842081741 1222835082 /nfs/dbraw/zinc/83/50/82/1222835082.db2.gz WZYHTTDQARTOHQ-WXLSXGNJSA-N 2 1 368.522 0.719 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000842082579 1222835547 /nfs/dbraw/zinc/83/55/47/1222835547.db2.gz XYEKQGPPFDANDM-ZRGWGRIASA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000842082579 1222835550 /nfs/dbraw/zinc/83/55/50/1222835550.db2.gz XYEKQGPPFDANDM-ZRGWGRIASA-N 2 1 366.506 0.345 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191072 1222839710 /nfs/dbraw/zinc/83/97/10/1222839710.db2.gz WOGOSRUYXWDUOO-YLJYHZDGSA-N 2 1 358.486 0.883 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842190927 1222839722 /nfs/dbraw/zinc/83/97/22/1222839722.db2.gz VCYTVEMCYFJPQO-FXAWDEMLSA-N 2 1 358.486 0.965 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247975 1222863216 /nfs/dbraw/zinc/86/32/16/1222863216.db2.gz JROZULVRQPZFRG-NXOAAHMSSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247975 1222863220 /nfs/dbraw/zinc/86/32/20/1222863220.db2.gz JROZULVRQPZFRG-NXOAAHMSSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247975 1222863221 /nfs/dbraw/zinc/86/32/21/1222863221.db2.gz JROZULVRQPZFRG-NXOAAHMSSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247975 1222863222 /nfs/dbraw/zinc/86/32/22/1222863222.db2.gz JROZULVRQPZFRG-NXOAAHMSSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247970 1222863380 /nfs/dbraw/zinc/86/33/80/1222863380.db2.gz JROZULVRQPZFRG-MWDXBVQZSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247970 1222863384 /nfs/dbraw/zinc/86/33/84/1222863384.db2.gz JROZULVRQPZFRG-MWDXBVQZSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247970 1222863385 /nfs/dbraw/zinc/86/33/85/1222863385.db2.gz JROZULVRQPZFRG-MWDXBVQZSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H]1C ZINC000843247970 1222863386 /nfs/dbraw/zinc/86/33/86/1222863386.db2.gz JROZULVRQPZFRG-MWDXBVQZSA-N 2 1 368.522 0.353 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000843254741 1222865860 /nfs/dbraw/zinc/86/58/60/1222865860.db2.gz RNMYKAGALGEXKI-CALCHBBNSA-N 2 1 368.522 0.498 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000843254741 1222865862 /nfs/dbraw/zinc/86/58/62/1222865862.db2.gz RNMYKAGALGEXKI-CALCHBBNSA-N 2 1 368.522 0.498 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+](C)C[C@]2(O)CCc3ccccc32)C1=O ZINC000843270675 1222868485 /nfs/dbraw/zinc/86/84/85/1222868485.db2.gz XRFTUHUYDNCKSJ-FXAWDEMLSA-N 2 1 359.470 0.831 20 0 FCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+](C)C[C@]2(O)CCc3ccccc32)C1=O ZINC000843270675 1222868486 /nfs/dbraw/zinc/86/84/86/1222868486.db2.gz XRFTUHUYDNCKSJ-FXAWDEMLSA-N 2 1 359.470 0.831 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347538 1222871920 /nfs/dbraw/zinc/87/19/20/1222871920.db2.gz XARHSBXHHIIISM-KGLIPLIRSA-N 2 1 365.478 0.864 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843347538 1222871921 /nfs/dbraw/zinc/87/19/21/1222871921.db2.gz XARHSBXHHIIISM-KGLIPLIRSA-N 2 1 365.478 0.864 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354333 1222872913 /nfs/dbraw/zinc/87/29/13/1222872913.db2.gz ZCCHPXFJMZLRAS-KGLIPLIRSA-N 2 1 365.478 0.722 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001143306622 1222876888 /nfs/dbraw/zinc/87/68/88/1222876888.db2.gz GDRATIHZBYINIJ-IBGZPJMESA-N 2 1 366.506 0.015 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001143306622 1222876890 /nfs/dbraw/zinc/87/68/90/1222876890.db2.gz GDRATIHZBYINIJ-IBGZPJMESA-N 2 1 366.506 0.015 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+](CC(=O)NC)CC2)CC[N@@H+]1C ZINC001151132252 1222915788 /nfs/dbraw/zinc/91/57/88/1222915788.db2.gz OEXPGLBJEOBCPA-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+](CC(=O)NC)CC2)CC[N@H+]1C ZINC001151132252 1222915793 /nfs/dbraw/zinc/91/57/93/1222915793.db2.gz OEXPGLBJEOBCPA-JKSUJKDBSA-N 2 1 368.522 0.450 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501717 1222978656 /nfs/dbraw/zinc/97/86/56/1222978656.db2.gz SJNADVSOYVUUPT-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501717 1222978663 /nfs/dbraw/zinc/97/86/63/1222978663.db2.gz SJNADVSOYVUUPT-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501717 1222978667 /nfs/dbraw/zinc/97/86/67/1222978667.db2.gz SJNADVSOYVUUPT-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501717 1222978671 /nfs/dbraw/zinc/97/86/71/1222978671.db2.gz SJNADVSOYVUUPT-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP Nc1ccc[nH+]c1N1CCN(c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001154783052 1223018634 /nfs/dbraw/zinc/01/86/34/1223018634.db2.gz ILKUKUHFXPBEBV-UHFFFAOYSA-N 2 1 354.462 0.708 20 0 FCADMP C1CCN(c2nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c(N3CCCC3)n2)C1 ZINC001155627411 1223040039 /nfs/dbraw/zinc/04/00/39/1223040039.db2.gz ZWARILSJYGMFKW-DNVCBOLYSA-N 2 1 373.505 0.817 20 0 FCADMP NC[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)cc1 ZINC001157398627 1223076008 /nfs/dbraw/zinc/07/60/08/1223076008.db2.gz ILVPJVBBAMTVEU-SJORKVTESA-N 2 1 361.490 0.495 20 0 FCADMP CCC[N@H+]1C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2C1 ZINC001157691049 1223080473 /nfs/dbraw/zinc/08/04/73/1223080473.db2.gz GTYLZIXBZNBQHL-GASCZTMLSA-N 2 1 358.490 0.694 20 0 FCADMP CCC[N@@H+]1C[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]2C1 ZINC001157691049 1223080475 /nfs/dbraw/zinc/08/04/75/1223080475.db2.gz GTYLZIXBZNBQHL-GASCZTMLSA-N 2 1 358.490 0.694 20 0 FCADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCNCC(F)(F)C1 ZINC001157946112 1223084645 /nfs/dbraw/zinc/08/46/45/1223084645.db2.gz MPEAXQIBSPURCQ-MRXNPFEDSA-N 2 1 364.440 0.775 20 0 FCADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCNCC(F)(F)C1 ZINC001157946112 1223084647 /nfs/dbraw/zinc/08/46/47/1223084647.db2.gz MPEAXQIBSPURCQ-MRXNPFEDSA-N 2 1 364.440 0.775 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001158361668 1223095832 /nfs/dbraw/zinc/09/58/32/1223095832.db2.gz VHEKUBTUZNBRKM-INIZCTEOSA-N 2 1 371.489 0.712 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001158411613 1223096703 /nfs/dbraw/zinc/09/67/03/1223096703.db2.gz IUDVSAXWKUJSPC-SOUVJXGZSA-N 2 1 369.510 0.435 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001158698110 1223105593 /nfs/dbraw/zinc/10/55/93/1223105593.db2.gz MAAPDJZFEQEHLS-AWEZNQCLSA-N 2 1 365.478 0.691 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935331 1223113503 /nfs/dbraw/zinc/11/35/03/1223113503.db2.gz PWNLIUWJROGBNE-DLBZAZTESA-N 2 1 357.458 0.125 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158976045 1223114467 /nfs/dbraw/zinc/11/44/67/1223114467.db2.gz BKFMGVQSVRPYLO-SFHVURJKSA-N 3 1 363.550 0.604 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158976045 1223114472 /nfs/dbraw/zinc/11/44/72/1223114472.db2.gz BKFMGVQSVRPYLO-SFHVURJKSA-N 2 1 363.550 0.604 20 0 FCADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158976045 1223114475 /nfs/dbraw/zinc/11/44/75/1223114475.db2.gz BKFMGVQSVRPYLO-SFHVURJKSA-N 2 1 363.550 0.604 20 0 FCADMP [NH3+]CCN(c1ncnc2c1C[NH2+]C2)S(=O)(=O)c1cccc2cnccc21 ZINC001159067150 1223116643 /nfs/dbraw/zinc/11/66/43/1223116643.db2.gz DEBGXRNMKDGISI-UHFFFAOYSA-N 2 1 370.438 0.782 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001159411821 1223126557 /nfs/dbraw/zinc/12/65/57/1223126557.db2.gz KFUHRVFRGDPQPH-SFHVURJKSA-N 2 1 357.502 0.846 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001159411814 1223126601 /nfs/dbraw/zinc/12/66/01/1223126601.db2.gz KFUHRVFRGDPQPH-GOSISDBHSA-N 2 1 357.502 0.846 20 0 FCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CC3(C[NH2+]C3)C1)CCC2 ZINC001159481502 1223127852 /nfs/dbraw/zinc/12/78/52/1223127852.db2.gz RQPKUGJLANXYEK-UHFFFAOYSA-N 2 1 373.501 0.815 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCCn2cnc(CNC3CCC3)c2C1)C1CC[NH2+]CC1 ZINC001159561103 1223129952 /nfs/dbraw/zinc/12/99/52/1223129952.db2.gz WJPLGNKREXJOMD-GOSISDBHSA-N 2 1 360.506 0.584 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001159665262 1223132705 /nfs/dbraw/zinc/13/27/05/1223132705.db2.gz INWQNXWPRUMQAM-QRVBRYPASA-N 3 1 373.501 0.210 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001159665261 1223132887 /nfs/dbraw/zinc/13/28/87/1223132887.db2.gz INWQNXWPRUMQAM-OTWHNJEPSA-N 3 1 373.501 0.210 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@]4(C)CC[NH2+]C4)C3)O2)CC1 ZINC001159756868 1223135411 /nfs/dbraw/zinc/13/54/11/1223135411.db2.gz GKDDKFBVALFWCL-MISYRCLQSA-N 2 1 364.534 0.774 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4[C@@H]5C[NH2+]C[C@@H]54)C3)O2)CC1 ZINC001159757890 1223135764 /nfs/dbraw/zinc/13/57/64/1223135764.db2.gz KZLKEYPKGBWZTF-PKRADWSKSA-N 2 1 362.518 0.239 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159853189 1223137935 /nfs/dbraw/zinc/13/79/35/1223137935.db2.gz ALFBTYUELNABKH-NXHRZFHOSA-N 3 1 374.460 0.299 20 0 FCADMP CC(=O)OC[C@H](N)C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855226 1223138256 /nfs/dbraw/zinc/13/82/56/1223138256.db2.gz JDWYXVVJQVPQEP-PVAVHDDUSA-N 2 1 365.405 0.380 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855226 1223138264 /nfs/dbraw/zinc/13/82/64/1223138264.db2.gz JDWYXVVJQVPQEP-PVAVHDDUSA-N 2 1 365.405 0.380 20 0 FCADMP NC1(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856617 1223138537 /nfs/dbraw/zinc/13/85/37/1223138537.db2.gz VKPMCPZWYLMNEY-DOTOQJQBSA-N 3 1 362.449 0.571 20 0 FCADMP NC1(C(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856617 1223138539 /nfs/dbraw/zinc/13/85/39/1223138539.db2.gz VKPMCPZWYLMNEY-DOTOQJQBSA-N 3 1 362.449 0.571 20 0 FCADMP [NH3+]C[C@H](O)CC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159887453 1223138848 /nfs/dbraw/zinc/13/88/48/1223138848.db2.gz VVXHRGOJYJEEQN-NVXWUHKLSA-N 2 1 368.428 0.851 20 0 FCADMP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160054034 1223143416 /nfs/dbraw/zinc/14/34/16/1223143416.db2.gz WNFWVCLKQLWBPF-NQIIRXRSSA-N 2 1 369.513 0.848 20 0 FCADMP O=C([C@@H]1CC[NH2+]C[C@H]1F)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065580 1223144091 /nfs/dbraw/zinc/14/40/91/1223144091.db2.gz LNGBMRPACYMQPQ-HUUCEWRRSA-N 2 1 358.421 0.862 20 0 FCADMP O=C(C[C@H]1COCC[NH2+]1)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065531 1223144234 /nfs/dbraw/zinc/14/42/34/1223144234.db2.gz KUETVVYXSXXHTK-AWEZNQCLSA-N 2 1 356.430 0.293 20 0 FCADMP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155132 1223147337 /nfs/dbraw/zinc/14/73/37/1223147337.db2.gz DSFDJBVYARXUTF-HCXYKTFWSA-N 2 1 362.518 0.382 20 0 FCADMP Cc1ccc(N(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171537 1223147381 /nfs/dbraw/zinc/14/73/81/1223147381.db2.gz NTLQKTOSRIRQAM-KSSFIOAISA-N 2 1 366.469 0.827 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160233427 1223151714 /nfs/dbraw/zinc/15/17/14/1223151714.db2.gz BZPFOFRTIPJHRF-HOTGVXAUSA-N 2 1 358.446 0.129 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001160424479 1223159050 /nfs/dbraw/zinc/15/90/50/1223159050.db2.gz VAULNAONMSXBRE-MJKGWSOKSA-N 2 1 357.502 0.831 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)C[C@H]21 ZINC001160421616 1223159228 /nfs/dbraw/zinc/15/92/28/1223159228.db2.gz CEIKVMPNZMYLRZ-SIZVQLJJSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001160421616 1223159231 /nfs/dbraw/zinc/15/92/31/1223159231.db2.gz CEIKVMPNZMYLRZ-SIZVQLJJSA-N 2 1 357.502 0.830 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001160421616 1223159234 /nfs/dbraw/zinc/15/92/34/1223159234.db2.gz CEIKVMPNZMYLRZ-SIZVQLJJSA-N 2 1 357.502 0.830 20 0 FCADMP C[C@H]1C(=O)NCCN1C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160450318 1223160871 /nfs/dbraw/zinc/16/08/71/1223160871.db2.gz CZXJWTUTVLYAGS-YRISNDGFSA-N 2 1 370.497 0.835 20 0 FCADMP [NH3+]C[C@]1(Nc2ccc(C(=O)NC3CCOCC3)nn2)C[NH+]2CCC1CC2 ZINC001160518440 1223163101 /nfs/dbraw/zinc/16/31/01/1223163101.db2.gz GMMKZFDBBSXCHN-SFHVURJKSA-N 2 1 360.462 0.220 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641052 1223167268 /nfs/dbraw/zinc/16/72/68/1223167268.db2.gz VLQCHGNWHSURST-SJORKVTESA-N 2 1 370.453 0.371 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641052 1223167271 /nfs/dbraw/zinc/16/72/71/1223167271.db2.gz VLQCHGNWHSURST-SJORKVTESA-N 2 1 370.453 0.371 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160854682 1223177553 /nfs/dbraw/zinc/17/75/53/1223177553.db2.gz DQAJSFYETVOXAP-YJLNNSPDSA-N 2 1 358.486 0.918 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160854682 1223177557 /nfs/dbraw/zinc/17/75/57/1223177557.db2.gz DQAJSFYETVOXAP-YJLNNSPDSA-N 2 1 358.486 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C2CC2)C2CC2)O1 ZINC001160862001 1223178172 /nfs/dbraw/zinc/17/81/72/1223178172.db2.gz GPKKMDCXMKRGQV-CZUORRHYSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C2CC2)C2CC2)O1 ZINC001160862001 1223178176 /nfs/dbraw/zinc/17/81/76/1223178176.db2.gz GPKKMDCXMKRGQV-CZUORRHYSA-N 2 1 366.506 0.106 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196506 1223188477 /nfs/dbraw/zinc/18/84/77/1223188477.db2.gz KIXVTLFNWUMFGZ-UHFFFAOYSA-N 3 1 364.534 0.537 20 0 FCADMP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378299 1223197082 /nfs/dbraw/zinc/19/70/82/1223197082.db2.gz LUCIQPVBGVOBKT-OALUTQOASA-N 3 1 373.545 0.906 20 0 FCADMP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376726 1223197186 /nfs/dbraw/zinc/19/71/86/1223197186.db2.gz CSFREWUSZAZLSS-RTBURBONSA-N 3 1 360.502 0.945 20 0 FCADMP COC[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162282926 1223212807 /nfs/dbraw/zinc/21/28/07/1223212807.db2.gz AIONWJINDRMYHU-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1cnc(C[NH3+])c1 ZINC001162296870 1223213165 /nfs/dbraw/zinc/21/31/65/1223213165.db2.gz OLWVEWWGWQAYJK-ZDUSSCGKSA-N 2 1 361.446 0.832 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(NCCC[NH2+]CCCC[NH3+])n2)CC1 ZINC001162291347 1223213499 /nfs/dbraw/zinc/21/34/99/1223213499.db2.gz CQQGCUUNGOFTID-UHFFFAOYSA-N 3 1 364.494 0.997 20 0 FCADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccnc1N1CC[NH+](C)CC1 ZINC001162730333 1223219103 /nfs/dbraw/zinc/21/91/03/1223219103.db2.gz LVIOYGPLMXLUQP-OAHLLOKOSA-N 2 1 364.494 0.772 20 0 FCADMP c1cc2c(nc(N3CCOCC3)[nH+]c2NCC[C@@H]2CCOC23C[NH2+]C3)[nH]1 ZINC001163081331 1223225504 /nfs/dbraw/zinc/22/55/04/1223225504.db2.gz MRYOQVVNIWZURX-CYBMUJFWSA-N 2 1 358.446 0.927 20 0 FCADMP Cc1cnc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc1C1C[NH2+]C1 ZINC001165087591 1223241842 /nfs/dbraw/zinc/24/18/42/1223241842.db2.gz ZWWXXIPIJBSYNO-UHFFFAOYSA-N 2 1 358.490 0.462 20 0 FCADMP CCOC(=O)[C@@]12CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]1C[NH2+]CC2 ZINC001165172148 1223243009 /nfs/dbraw/zinc/24/30/09/1223243009.db2.gz GOEHYRAQVVXTTC-KXBFYZLASA-N 2 1 374.489 0.207 20 0 FCADMP CN1c2cnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)nc2N2CCC[C@H]2C1=O ZINC001165173861 1223243222 /nfs/dbraw/zinc/24/32/22/1223243222.db2.gz FGPWSSSAKGHXIP-GJZGRUSLSA-N 2 1 371.489 0.281 20 0 FCADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165371111 1223245459 /nfs/dbraw/zinc/24/54/59/1223245459.db2.gz CTXZBATUJCMRRR-CABCVRRESA-N 2 1 371.363 0.601 20 0 FCADMP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001205204263 1223316503 /nfs/dbraw/zinc/31/65/03/1223316503.db2.gz ULQULWHHRNDHPD-BHIYHBOVSA-N 2 1 363.502 0.783 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC2(CC[NH+]([C@H](C)C(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001205513568 1223329630 /nfs/dbraw/zinc/32/96/30/1223329630.db2.gz OQXCOWLPYHRHNS-OWCLPIDISA-N 2 1 366.506 0.141 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205519328 1223330060 /nfs/dbraw/zinc/33/00/60/1223330060.db2.gz GZIAHDHUIVPLAD-JKSUJKDBSA-N 2 1 366.506 0.012 20 0 FCADMP CN1CCN(c2ncnc3c2CC[N@@H+](CC2CC[NH+](C)CC2)CC3)CC1 ZINC001207398098 1223443114 /nfs/dbraw/zinc/44/31/14/1223443114.db2.gz WDFSSQYWNBQHGM-UHFFFAOYSA-N 3 1 358.534 0.971 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001207398098 1223443115 /nfs/dbraw/zinc/44/31/15/1223443115.db2.gz WDFSSQYWNBQHGM-UHFFFAOYSA-N 3 1 358.534 0.971 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001207398098 1223443117 /nfs/dbraw/zinc/44/31/17/1223443117.db2.gz WDFSSQYWNBQHGM-UHFFFAOYSA-N 3 1 358.534 0.971 20 0 FCADMP O=C(NC[C@@H]1Cn2ccnc2C[N@@H+](CC2CC[NH2+]CC2)C1)c1ccnnc1 ZINC001207436638 1223446588 /nfs/dbraw/zinc/44/65/88/1223446588.db2.gz GCPQGZMMAJOGMG-INIZCTEOSA-N 2 1 369.473 0.535 20 0 FCADMP COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC001276542825 1223462860 /nfs/dbraw/zinc/46/28/60/1223462860.db2.gz FRDRZXZQBVCFEX-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC001276542825 1223462862 /nfs/dbraw/zinc/46/28/62/1223462862.db2.gz FRDRZXZQBVCFEX-LJQANCHMSA-N 2 1 362.474 0.703 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705672 1223472885 /nfs/dbraw/zinc/47/28/85/1223472885.db2.gz GUNXOBHZHRXPMD-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750656 1223475823 /nfs/dbraw/zinc/47/58/23/1223475823.db2.gz VMOSJPYGZQAIAD-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750656 1223475826 /nfs/dbraw/zinc/47/58/26/1223475826.db2.gz VMOSJPYGZQAIAD-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750656 1223475829 /nfs/dbraw/zinc/47/58/29/1223475829.db2.gz VMOSJPYGZQAIAD-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001207750656 1223475831 /nfs/dbraw/zinc/47/58/31/1223475831.db2.gz VMOSJPYGZQAIAD-BZUAXINKSA-N 2 1 370.538 0.694 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946948 1223499595 /nfs/dbraw/zinc/49/95/95/1223499595.db2.gz SYEGTNQYLXNQAY-UKPHBRMFSA-N 2 1 359.430 0.325 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001208071234 1223513635 /nfs/dbraw/zinc/51/36/35/1223513635.db2.gz YDWMQKVXICPTGY-RBSFLKMASA-N 2 1 363.462 0.842 20 0 FCADMP CC(=O)N1CC2(C1)C[N@H+](CC1(C[NH+](C)C)CCCC1)C[C@H]2C(=O)N(C)C ZINC001208188890 1223521194 /nfs/dbraw/zinc/52/11/94/1223521194.db2.gz OXUAFBRKIAKFNH-KRWDZBQOSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001208408302 1223541539 /nfs/dbraw/zinc/54/15/39/1223541539.db2.gz YNHUXYLXQPUWBI-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCCN3CCCC3=O)C2)O1 ZINC001208408302 1223541544 /nfs/dbraw/zinc/54/15/44/1223541544.db2.gz YNHUXYLXQPUWBI-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001208411463 1223542005 /nfs/dbraw/zinc/54/20/05/1223542005.db2.gz URPAOVFMLMUZCL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001208411463 1223542008 /nfs/dbraw/zinc/54/20/08/1223542008.db2.gz URPAOVFMLMUZCL-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493297 1223550684 /nfs/dbraw/zinc/55/06/84/1223550684.db2.gz YOFFZNSBELGRQF-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493297 1223550691 /nfs/dbraw/zinc/55/06/91/1223550691.db2.gz YOFFZNSBELGRQF-UKRRQHHQSA-N 2 1 367.494 0.143 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](CC)CC ZINC001208574586 1223558910 /nfs/dbraw/zinc/55/89/10/1223558910.db2.gz AUFBRALOWYLGTK-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)[NH+](CC)CC ZINC001208574586 1223558913 /nfs/dbraw/zinc/55/89/13/1223558913.db2.gz AUFBRALOWYLGTK-BRWVUGGUSA-N 2 1 370.538 0.696 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604187 1223562365 /nfs/dbraw/zinc/56/23/65/1223562365.db2.gz CYDCCRJKLWBGNE-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604187 1223562368 /nfs/dbraw/zinc/56/23/68/1223562368.db2.gz CYDCCRJKLWBGNE-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP COCCOC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604187 1223562374 /nfs/dbraw/zinc/56/23/74/1223562374.db2.gz CYDCCRJKLWBGNE-BRWVUGGUSA-N 2 1 371.522 0.179 20 0 FCADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611962 1223563579 /nfs/dbraw/zinc/56/35/79/1223563579.db2.gz YVVHSLNAPFUSEV-QZTJIDSGSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611962 1223563580 /nfs/dbraw/zinc/56/35/80/1223563580.db2.gz YVVHSLNAPFUSEV-QZTJIDSGSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)C1 ZINC001208611962 1223563581 /nfs/dbraw/zinc/56/35/81/1223563581.db2.gz YVVHSLNAPFUSEV-QZTJIDSGSA-N 2 1 365.518 0.916 20 0 FCADMP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676906 1223569656 /nfs/dbraw/zinc/56/96/56/1223569656.db2.gz RVHLTGNXBDHWCP-BHIYHBOVSA-N 2 1 363.502 0.605 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676906 1223569661 /nfs/dbraw/zinc/56/96/61/1223569661.db2.gz RVHLTGNXBDHWCP-BHIYHBOVSA-N 2 1 363.502 0.605 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676906 1223569665 /nfs/dbraw/zinc/56/96/65/1223569665.db2.gz RVHLTGNXBDHWCP-BHIYHBOVSA-N 2 1 363.502 0.605 20 0 FCADMP COC[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676906 1223569674 /nfs/dbraw/zinc/56/96/74/1223569674.db2.gz RVHLTGNXBDHWCP-BHIYHBOVSA-N 2 1 363.502 0.605 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738586 1223573708 /nfs/dbraw/zinc/57/37/08/1223573708.db2.gz GIDXADVUOWAQDG-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738586 1223573711 /nfs/dbraw/zinc/57/37/11/1223573711.db2.gz GIDXADVUOWAQDG-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)C1 ZINC001208956783 1223587143 /nfs/dbraw/zinc/58/71/43/1223587143.db2.gz IBRKSRZHHIVIKY-MRXNPFEDSA-N 2 1 361.490 0.769 20 0 FCADMP CC(=O)N1CCC[C@H](C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)C1 ZINC001208956783 1223587144 /nfs/dbraw/zinc/58/71/44/1223587144.db2.gz IBRKSRZHHIVIKY-MRXNPFEDSA-N 2 1 361.490 0.769 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CC3COC(C)(C)OC3)CC[C@@H]2C1 ZINC001209195135 1223602554 /nfs/dbraw/zinc/60/25/54/1223602554.db2.gz CYYIWNNRVSCYER-IAGOWNOFSA-N 2 1 369.506 0.496 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CC3COC(C)(C)OC3)CC[C@@H]2C1 ZINC001209195135 1223602556 /nfs/dbraw/zinc/60/25/56/1223602556.db2.gz CYYIWNNRVSCYER-IAGOWNOFSA-N 2 1 369.506 0.496 20 0 FCADMP CN1CCN(CCC[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)CC1 ZINC001276629884 1223608137 /nfs/dbraw/zinc/60/81/37/1223608137.db2.gz BJZRBEFIDZLZKV-GOSISDBHSA-N 2 1 365.566 0.404 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@@]3(C2)CN(C2CCCC2)C(=O)CO3)CC1 ZINC001276630191 1223608836 /nfs/dbraw/zinc/60/88/36/1223608836.db2.gz LVDFBTPXGCENGL-HXUWFJFHSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@]3(C2)CN(C2CCCC2)C(=O)CO3)CC1 ZINC001276630190 1223608998 /nfs/dbraw/zinc/60/89/98/1223608998.db2.gz LVDFBTPXGCENGL-FQEVSTJZSA-N 2 1 364.534 0.870 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4cnccc34)C2)OCC1=O ZINC001276631772 1223609820 /nfs/dbraw/zinc/60/98/20/1223609820.db2.gz ATOMPTDYPXDVHP-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276636455 1223613594 /nfs/dbraw/zinc/61/35/94/1223613594.db2.gz NPLDBLAHHDBERB-HXUWFJFHSA-N 2 1 366.550 0.831 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)CC1 ZINC001276636712 1223613821 /nfs/dbraw/zinc/61/38/21/1223613821.db2.gz ROGPVXKXPZBTDN-IBGZPJMESA-N 2 1 361.490 0.879 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)CC1 ZINC001276636714 1223613982 /nfs/dbraw/zinc/61/39/82/1223613982.db2.gz ROGPVXKXPZBTDN-LJQANCHMSA-N 2 1 361.490 0.879 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC001209451591 1223621419 /nfs/dbraw/zinc/62/14/19/1223621419.db2.gz JLHNRVHPMMDMRF-RTBURBONSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507076 1223626530 /nfs/dbraw/zinc/62/65/30/1223626530.db2.gz XPIZSDUPSMQFQZ-IXDOHACOSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507076 1223626531 /nfs/dbraw/zinc/62/65/31/1223626531.db2.gz XPIZSDUPSMQFQZ-IXDOHACOSA-N 2 1 366.506 0.062 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829929 1223651967 /nfs/dbraw/zinc/65/19/67/1223651967.db2.gz NZGSBHLOIITPMM-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829929 1223651972 /nfs/dbraw/zinc/65/19/72/1223651972.db2.gz NZGSBHLOIITPMM-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001209971694 1223659448 /nfs/dbraw/zinc/65/94/48/1223659448.db2.gz DNBWCSLQWJBXLI-FHLIZLRMSA-N 2 1 358.442 0.930 20 0 FCADMP COC(=O)c1cn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C(=O)OC)c1N ZINC001210262804 1223679406 /nfs/dbraw/zinc/67/94/06/1223679406.db2.gz QLBNGHDSHZEHIX-UHFFFAOYSA-N 2 1 359.386 0.437 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298727 1223681520 /nfs/dbraw/zinc/68/15/20/1223681520.db2.gz RYLHKQKYBVKMPF-FGTMMUONSA-N 2 1 371.522 0.587 20 0 FCADMP C[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329574 1223683099 /nfs/dbraw/zinc/68/30/99/1223683099.db2.gz DMPGOTOBNYNAIS-IAGOWNOFSA-N 2 1 360.506 0.981 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684806 1223693878 /nfs/dbraw/zinc/69/38/78/1223693878.db2.gz FCPNSPQHIFUZEJ-OXJNMPFZSA-N 2 1 359.470 0.954 20 0 FCADMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684808 1223693900 /nfs/dbraw/zinc/69/39/00/1223693900.db2.gz FCPNSPQHIFUZEJ-OXQOHEQNSA-N 2 1 359.470 0.954 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211039669 1223720985 /nfs/dbraw/zinc/72/09/85/1223720985.db2.gz SXVMYJBVNQDYLV-SOLBZPMBSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094528 1223725313 /nfs/dbraw/zinc/72/53/13/1223725313.db2.gz DNCWOFJVCQGCQL-RBSFLKMASA-N 2 1 367.494 0.272 20 0 FCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094528 1223725316 /nfs/dbraw/zinc/72/53/16/1223725316.db2.gz DNCWOFJVCQGCQL-RBSFLKMASA-N 2 1 367.494 0.272 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1)C1CC1 ZINC001211191891 1223729169 /nfs/dbraw/zinc/72/91/69/1223729169.db2.gz VHZUAMGSLBORLS-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211301732 1223733406 /nfs/dbraw/zinc/73/34/06/1223733406.db2.gz ZTOVRKZXWHGMRR-KZNAEPCWSA-N 2 1 363.506 0.557 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309397 1223734168 /nfs/dbraw/zinc/73/41/68/1223734168.db2.gz CVFQIDBGKPRKHD-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309397 1223734172 /nfs/dbraw/zinc/73/41/72/1223734172.db2.gz CVFQIDBGKPRKHD-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366822 1223737586 /nfs/dbraw/zinc/73/75/86/1223737586.db2.gz KNOBTYOAHPFZIG-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366822 1223737588 /nfs/dbraw/zinc/73/75/88/1223737588.db2.gz KNOBTYOAHPFZIG-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001211366822 1223737590 /nfs/dbraw/zinc/73/75/90/1223737590.db2.gz KNOBTYOAHPFZIG-NXHRZFHOSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001211367403 1223737776 /nfs/dbraw/zinc/73/77/76/1223737776.db2.gz SLPRYFPJTCKGJF-SOLBZPMBSA-N 2 1 367.490 0.934 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001211367403 1223737778 /nfs/dbraw/zinc/73/77/78/1223737778.db2.gz SLPRYFPJTCKGJF-SOLBZPMBSA-N 2 1 367.490 0.934 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001211367403 1223737781 /nfs/dbraw/zinc/73/77/81/1223737781.db2.gz SLPRYFPJTCKGJF-SOLBZPMBSA-N 2 1 367.490 0.934 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329107 1223786198 /nfs/dbraw/zinc/78/61/98/1223786198.db2.gz RBVGUNGFAAWIIL-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329107 1223786202 /nfs/dbraw/zinc/78/62/02/1223786202.db2.gz RBVGUNGFAAWIIL-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329107 1223786205 /nfs/dbraw/zinc/78/62/05/1223786205.db2.gz RBVGUNGFAAWIIL-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329107 1223786208 /nfs/dbraw/zinc/78/62/08/1223786208.db2.gz RBVGUNGFAAWIIL-KZNAEPCWSA-N 2 1 371.522 0.728 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342486 1223788806 /nfs/dbraw/zinc/78/88/06/1223788806.db2.gz ZZXBUZAUSPMLTF-GVDBMIGSSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371385 1223791643 /nfs/dbraw/zinc/79/16/43/1223791643.db2.gz YBVIUEGQLCYCKJ-QZTJIDSGSA-N 2 1 362.474 0.912 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371385 1223791646 /nfs/dbraw/zinc/79/16/46/1223791646.db2.gz YBVIUEGQLCYCKJ-QZTJIDSGSA-N 2 1 362.474 0.912 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380449 1223792956 /nfs/dbraw/zinc/79/29/56/1223792956.db2.gz RRSHWQDZERVUFN-JFIYKMOQSA-N 2 1 368.522 0.401 20 0 FCADMP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CC1 ZINC001213580412 1223817809 /nfs/dbraw/zinc/81/78/09/1223817809.db2.gz BEGQKKIZSJGQTG-FGTMMUONSA-N 2 1 369.506 0.339 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1)C1CC1 ZINC001213580412 1223817812 /nfs/dbraw/zinc/81/78/12/1223817812.db2.gz BEGQKKIZSJGQTG-FGTMMUONSA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676014 1223831068 /nfs/dbraw/zinc/83/10/68/1223831068.db2.gz LJJNRKXZKFZNPR-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676014 1223831069 /nfs/dbraw/zinc/83/10/69/1223831069.db2.gz LJJNRKXZKFZNPR-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676014 1223831070 /nfs/dbraw/zinc/83/10/70/1223831070.db2.gz LJJNRKXZKFZNPR-IPMKNSEASA-N 2 1 363.502 0.747 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213728898 1223840063 /nfs/dbraw/zinc/84/00/63/1223840063.db2.gz YSKFZYJEUQSPQN-QZTJIDSGSA-N 2 1 365.474 0.589 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)cc1 ZINC001213728898 1223840064 /nfs/dbraw/zinc/84/00/64/1223840064.db2.gz YSKFZYJEUQSPQN-QZTJIDSGSA-N 2 1 365.474 0.589 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1OC ZINC001213755461 1223844623 /nfs/dbraw/zinc/84/46/23/1223844623.db2.gz AVVWSHMGIADEAT-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754308 1223844796 /nfs/dbraw/zinc/84/47/96/1223844796.db2.gz XWCWSYABABQBKS-HZPDHXFCSA-N 2 1 371.526 0.241 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754308 1223844797 /nfs/dbraw/zinc/84/47/97/1223844797.db2.gz XWCWSYABABQBKS-HZPDHXFCSA-N 2 1 371.526 0.241 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213757403 1223844851 /nfs/dbraw/zinc/84/48/51/1223844851.db2.gz HMGDGKYSUMXUGK-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213757403 1223844854 /nfs/dbraw/zinc/84/48/54/1223844854.db2.gz HMGDGKYSUMXUGK-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213757403 1223844855 /nfs/dbraw/zinc/84/48/55/1223844855.db2.gz HMGDGKYSUMXUGK-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001213757403 1223844857 /nfs/dbraw/zinc/84/48/57/1223844857.db2.gz HMGDGKYSUMXUGK-IAGOWNOFSA-N 2 1 363.506 0.805 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759365 1223845588 /nfs/dbraw/zinc/84/55/88/1223845588.db2.gz HSGMNNJFLMOUQI-USXIJHARSA-N 2 1 368.522 0.591 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213864026 1223863566 /nfs/dbraw/zinc/86/35/66/1223863566.db2.gz YAZZRQFDRZKJFE-KBAYOESNSA-N 2 1 369.506 0.339 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213933820 1223875891 /nfs/dbraw/zinc/87/58/91/1223875891.db2.gz FIESZPQMAWUHLY-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213933820 1223875894 /nfs/dbraw/zinc/87/58/94/1223875894.db2.gz FIESZPQMAWUHLY-KZNAEPCWSA-N 2 1 363.506 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001214389122 1223906642 /nfs/dbraw/zinc/90/66/42/1223906642.db2.gz PPQGODJSOLXNBD-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001214389122 1223906644 /nfs/dbraw/zinc/90/66/44/1223906644.db2.gz PPQGODJSOLXNBD-ZTFGCOKTSA-N 2 1 365.449 0.972 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001214757881 1223939018 /nfs/dbraw/zinc/93/90/18/1223939018.db2.gz ZROADQDGQHTWQL-QLFBSQMISA-N 2 1 369.489 0.870 20 0 FCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855797 1223948615 /nfs/dbraw/zinc/94/86/15/1223948615.db2.gz OBWBZCQPVAPWET-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861133 1223948969 /nfs/dbraw/zinc/94/89/69/1223948969.db2.gz IZHAHKDTMJPQKI-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001215380872 1223994984 /nfs/dbraw/zinc/99/49/84/1223994984.db2.gz DWQWUNXMOLUJFS-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397063 1223996374 /nfs/dbraw/zinc/99/63/74/1223996374.db2.gz QXEDTWCHIMMIQX-MXSMSXNCSA-N 2 1 368.522 0.306 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)CC2 ZINC001215413532 1223998304 /nfs/dbraw/zinc/99/83/04/1223998304.db2.gz HPBYRSNTJHDGAQ-FRFSOERESA-N 2 1 361.490 0.715 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551417 1224006106 /nfs/dbraw/zinc/00/61/06/1224006106.db2.gz QTTQUJNTKLJZEC-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001215934272 1224024950 /nfs/dbraw/zinc/02/49/50/1224024950.db2.gz LTDQRUAVNJXQGS-BRWVUGGUSA-N 2 1 366.506 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[N@H+]1C ZINC000978183163 1248719447 /nfs/dbraw/zinc/71/94/47/1248719447.db2.gz RNAQNIWEIOKHLN-PYJZQUQOSA-N 2 1 370.497 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[NH+]1C ZINC000978183163 1248719453 /nfs/dbraw/zinc/71/94/53/1248719453.db2.gz RNAQNIWEIOKHLN-PYJZQUQOSA-N 2 1 370.497 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[NH+]1C ZINC000978183163 1248719461 /nfs/dbraw/zinc/71/94/61/1248719461.db2.gz RNAQNIWEIOKHLN-PYJZQUQOSA-N 2 1 370.497 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]CCOCCO ZINC001216082235 1224033396 /nfs/dbraw/zinc/03/33/96/1224033396.db2.gz WTSHDVQSFRWKGX-RHSMWYFYSA-N 2 1 359.430 0.326 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081601 1224033472 /nfs/dbraw/zinc/03/34/72/1224033472.db2.gz JKKANENRMIIRAO-RHSMWYFYSA-N 2 1 370.457 0.844 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081584 1224033766 /nfs/dbraw/zinc/03/37/66/1224033766.db2.gz IOCJFADJHPPGAU-XJKCOSOUSA-N 2 1 356.430 0.452 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(C)nn2C)C1 ZINC001216212701 1224039221 /nfs/dbraw/zinc/03/92/21/1224039221.db2.gz CXPHIGACEHENLC-UKRRQHHQSA-N 2 1 364.494 0.445 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)no1 ZINC001216383312 1224047708 /nfs/dbraw/zinc/04/77/08/1224047708.db2.gz KASZHCAGFZXINS-VHDGCEQUSA-N 2 1 363.462 0.700 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216490443 1224052878 /nfs/dbraw/zinc/05/28/78/1224052878.db2.gz DILKVNBNNPEPGB-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490380 1224052939 /nfs/dbraw/zinc/05/29/39/1224052939.db2.gz ALMAJDCFVBRAQC-RBSFLKMASA-N 2 1 369.510 0.389 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001216499852 1224053873 /nfs/dbraw/zinc/05/38/73/1224053873.db2.gz UFAFXRBKBDTKJD-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978347919 1248731185 /nfs/dbraw/zinc/73/11/85/1248731185.db2.gz DMXRUXPNTXMDQJ-UICSMYLRSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978347919 1248731192 /nfs/dbraw/zinc/73/11/92/1248731192.db2.gz DMXRUXPNTXMDQJ-UICSMYLRSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978347919 1248731197 /nfs/dbraw/zinc/73/11/97/1248731197.db2.gz DMXRUXPNTXMDQJ-UICSMYLRSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978347919 1248731206 /nfs/dbraw/zinc/73/12/06/1248731206.db2.gz DMXRUXPNTXMDQJ-UICSMYLRSA-N 2 1 362.474 0.805 20 0 FCADMP Cc1nccnc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985494885 1248943519 /nfs/dbraw/zinc/94/35/19/1248943519.db2.gz HUQXBAKXAXHZQQ-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1nccnc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985494885 1248943527 /nfs/dbraw/zinc/94/35/27/1248943527.db2.gz HUQXBAKXAXHZQQ-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1nccnc1C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985494885 1248943535 /nfs/dbraw/zinc/94/35/35/1248943535.db2.gz HUQXBAKXAXHZQQ-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1nccnc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985494885 1248943542 /nfs/dbraw/zinc/94/35/42/1248943542.db2.gz HUQXBAKXAXHZQQ-RDTXWAMCSA-N 2 1 361.490 0.927 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000993929953 1250082886 /nfs/dbraw/zinc/08/28/86/1250082886.db2.gz JGIXTMDAYWDRRF-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000993929953 1250082899 /nfs/dbraw/zinc/08/28/99/1250082899.db2.gz JGIXTMDAYWDRRF-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000993929953 1250082909 /nfs/dbraw/zinc/08/29/09/1250082909.db2.gz JGIXTMDAYWDRRF-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000993929953 1250082921 /nfs/dbraw/zinc/08/29/21/1250082921.db2.gz JGIXTMDAYWDRRF-BFYDXBDKSA-N 2 1 366.506 0.010 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000827240203 1245323170 /nfs/dbraw/zinc/32/31/70/1245323170.db2.gz IHEQXQPROIWGSR-KRWDZBQOSA-N 2 1 359.474 0.635 20 0 FCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000848932783 1245387589 /nfs/dbraw/zinc/38/75/89/1245387589.db2.gz VBXYZJAABLJVBN-CVEARBPZSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891575906 1245455817 /nfs/dbraw/zinc/45/58/17/1245455817.db2.gz IUOUNTOQUDHOJT-FPCVCCKLSA-N 2 1 363.462 0.047 20 0 FCADMP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000897318515 1245470313 /nfs/dbraw/zinc/47/03/13/1245470313.db2.gz IKPHANLVNJMXJJ-UHFFFAOYSA-N 2 1 368.522 0.549 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000911518655 1245505649 /nfs/dbraw/zinc/50/56/49/1245505649.db2.gz ZRWAPVSPVMBYBD-DTTOXWODSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556036 1245513142 /nfs/dbraw/zinc/51/31/42/1245513142.db2.gz INSRHHINUPEWGR-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000919296783 1245603302 /nfs/dbraw/zinc/60/33/02/1245603302.db2.gz JUWPWVQBFCHLJC-INIZCTEOSA-N 2 1 360.506 0.986 20 0 FCADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325243 1245709530 /nfs/dbraw/zinc/70/95/30/1245709530.db2.gz BJGIUHFPOOSNEZ-HUUCEWRRSA-N 2 1 365.478 0.663 20 0 FCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923379426 1245713225 /nfs/dbraw/zinc/71/32/25/1245713225.db2.gz JVKYNGJXUYBZGR-OTWHNJEPSA-N 2 1 358.486 0.810 20 0 FCADMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000923520732 1245724717 /nfs/dbraw/zinc/72/47/17/1245724717.db2.gz VNCHWAOWXTUYRX-UONOGXRCSA-N 2 1 363.462 0.204 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](C[C@H]4CCCOC4)C3)CC2)CC[N@H+]1C ZINC000941414042 1246610286 /nfs/dbraw/zinc/61/02/86/1246610286.db2.gz LBEQLGXWGUXTAP-ZHALLVOQSA-N 2 1 364.534 0.582 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553413 1247128922 /nfs/dbraw/zinc/12/89/22/1247128922.db2.gz WWGOLILTOPPVNN-DJIMGWMZSA-N 2 1 366.506 0.012 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300560 1247291214 /nfs/dbraw/zinc/29/12/14/1247291214.db2.gz GIPWVOINTTZMLG-OWCLPIDISA-N 2 1 363.462 0.018 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943300560 1247291221 /nfs/dbraw/zinc/29/12/21/1247291221.db2.gz GIPWVOINTTZMLG-OWCLPIDISA-N 2 1 363.462 0.018 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC3)CC[N@H+]1C ZINC000944940948 1247686912 /nfs/dbraw/zinc/68/69/12/1247686912.db2.gz PYVKDTOXVHFGMM-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC3)CC[NH+]1C ZINC000944940948 1247686922 /nfs/dbraw/zinc/68/69/22/1247686922.db2.gz PYVKDTOXVHFGMM-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC3)CC[NH+]1C ZINC000944940948 1247686935 /nfs/dbraw/zinc/68/69/35/1247686935.db2.gz PYVKDTOXVHFGMM-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)CC2)CC[N@H+]1C ZINC000944948017 1247689098 /nfs/dbraw/zinc/68/90/98/1247689098.db2.gz RWEKPEBDTDLWAJ-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)CC2)CC[NH+]1C ZINC000944948017 1247689108 /nfs/dbraw/zinc/68/91/08/1247689108.db2.gz RWEKPEBDTDLWAJ-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)CC2)CC[NH+]1C ZINC000944948017 1247689121 /nfs/dbraw/zinc/68/91/21/1247689121.db2.gz RWEKPEBDTDLWAJ-IXDOHACOSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]3CC2)CC[N@H+]1C ZINC000946595432 1247906970 /nfs/dbraw/zinc/90/69/70/1247906970.db2.gz ZFOMCTWENKTOCT-SFFUCWETSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595432 1247906978 /nfs/dbraw/zinc/90/69/78/1247906978.db2.gz ZFOMCTWENKTOCT-SFFUCWETSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]3CC2)CC[NH+]1C ZINC000946595432 1247906987 /nfs/dbraw/zinc/90/69/87/1247906987.db2.gz ZFOMCTWENKTOCT-SFFUCWETSA-N 2 1 362.518 0.728 20 0 FCADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327929847 1265456208 /nfs/dbraw/zinc/45/62/08/1265456208.db2.gz VZDZLRJFRBSHHN-ZFWWWQNUSA-N 2 1 358.450 0.113 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC000976595611 1248268998 /nfs/dbraw/zinc/26/89/98/1248268998.db2.gz NWZWDHWNSFCVKW-JMVPUORKSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976595611 1248269013 /nfs/dbraw/zinc/26/90/13/1248269013.db2.gz NWZWDHWNSFCVKW-JMVPUORKSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976595611 1248269025 /nfs/dbraw/zinc/26/90/25/1248269025.db2.gz NWZWDHWNSFCVKW-JMVPUORKSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@H+]1C ZINC000995823262 1250992976 /nfs/dbraw/zinc/99/29/76/1250992976.db2.gz DYKCELRGQCGDSB-MJBXVCDLSA-N 2 1 364.494 0.165 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)O1 ZINC000995959183 1251093195 /nfs/dbraw/zinc/09/31/95/1251093195.db2.gz OISWNSXDKGSELC-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCCC3)C(C)(C)C2)O1 ZINC000995959183 1251093210 /nfs/dbraw/zinc/09/32/10/1251093210.db2.gz OISWNSXDKGSELC-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)O1 ZINC000995959767 1251094844 /nfs/dbraw/zinc/09/48/44/1251094844.db2.gz SAGMPNQIPSOQFS-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)O1 ZINC000995959767 1251094854 /nfs/dbraw/zinc/09/48/54/1251094854.db2.gz SAGMPNQIPSOQFS-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP NC(=O)C[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481220 1265559747 /nfs/dbraw/zinc/55/97/47/1265559747.db2.gz BWKJFQGJXRLLFI-GJZGRUSLSA-N 2 1 359.474 0.476 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000996601854 1251402917 /nfs/dbraw/zinc/40/29/17/1251402917.db2.gz AMQWNGBLCDSTHW-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996711603 1251421415 /nfs/dbraw/zinc/42/14/15/1251421415.db2.gz JWCIPCXETKVIOQ-UKRRQHHQSA-N 2 1 365.482 0.054 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996711603 1251421422 /nfs/dbraw/zinc/42/14/22/1251421422.db2.gz JWCIPCXETKVIOQ-UKRRQHHQSA-N 2 1 365.482 0.054 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC000997013015 1251469542 /nfs/dbraw/zinc/46/95/42/1251469542.db2.gz PBIXQTJATGWZDA-MTSZKFMLSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC000997013015 1251469544 /nfs/dbraw/zinc/46/95/44/1251469544.db2.gz PBIXQTJATGWZDA-MTSZKFMLSA-N 2 1 359.474 0.780 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000997035229 1251475457 /nfs/dbraw/zinc/47/54/57/1251475457.db2.gz UPANCIDBYGCFDK-QYZOEREBSA-N 2 1 370.497 0.801 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC000997792669 1251709408 /nfs/dbraw/zinc/70/94/08/1251709408.db2.gz JMERZONHRAVLBL-HRCADAONSA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998652529 1251941333 /nfs/dbraw/zinc/94/13/33/1251941333.db2.gz BMBAAYJMMYADSK-NCOADZHNSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC000998798164 1251969327 /nfs/dbraw/zinc/96/93/27/1251969327.db2.gz ZNISSDSKZFCENG-XSCHDIRWSA-N 2 1 363.510 0.847 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC000998798164 1251969334 /nfs/dbraw/zinc/96/93/34/1251969334.db2.gz ZNISSDSKZFCENG-XSCHDIRWSA-N 2 1 363.510 0.847 20 0 FCADMP COc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984315 1252014460 /nfs/dbraw/zinc/01/44/60/1252014460.db2.gz RTHQMQCWZKYEBI-FKFRUQKQSA-N 2 1 363.462 0.283 20 0 FCADMP COc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984315 1252014464 /nfs/dbraw/zinc/01/44/64/1252014464.db2.gz RTHQMQCWZKYEBI-FKFRUQKQSA-N 2 1 363.462 0.283 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@@H+]1C ZINC000999191321 1252069150 /nfs/dbraw/zinc/06/91/50/1252069150.db2.gz XKUZXUYIZZQQGQ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CC(F)F)C2)CC[N@H+]1C ZINC000999191321 1252069159 /nfs/dbraw/zinc/06/91/59/1252069159.db2.gz XKUZXUYIZZQQGQ-MGPQQGTHSA-N 2 1 370.448 0.964 20 0 FCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001517857111 1265635859 /nfs/dbraw/zinc/63/58/59/1265635859.db2.gz PDZLHUROAGZKON-INIZCTEOSA-N 2 1 373.501 0.977 20 0 FCADMP CCCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990256 1252262187 /nfs/dbraw/zinc/26/21/87/1252262187.db2.gz HJYWNXFNMPFZGR-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP CCCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990256 1252262195 /nfs/dbraw/zinc/26/21/95/1252262195.db2.gz HJYWNXFNMPFZGR-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP CCCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990256 1252262205 /nfs/dbraw/zinc/26/22/05/1252262205.db2.gz HJYWNXFNMPFZGR-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP CCCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999990256 1252262217 /nfs/dbraw/zinc/26/22/17/1252262217.db2.gz HJYWNXFNMPFZGR-HYVNUMGLSA-N 2 1 364.494 0.660 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001002790619 1252674883 /nfs/dbraw/zinc/67/48/83/1252674883.db2.gz NTQZCGBWOLWROO-VQHPVUNQSA-N 2 1 360.502 0.815 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003137030 1252790664 /nfs/dbraw/zinc/79/06/64/1252790664.db2.gz HNEPTXRAPYISEL-CXAGYDPISA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003137030 1252790668 /nfs/dbraw/zinc/79/06/68/1252790668.db2.gz HNEPTXRAPYISEL-CXAGYDPISA-N 2 1 364.494 0.195 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001005408282 1253547789 /nfs/dbraw/zinc/54/77/89/1253547789.db2.gz WKFITYVOTCBTNR-KBAYOESNSA-N 2 1 363.506 0.507 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC001006181989 1253720792 /nfs/dbraw/zinc/72/07/92/1253720792.db2.gz GLDUVRIEAKGZKK-HYVNUMGLSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC001006181989 1253720794 /nfs/dbraw/zinc/72/07/94/1253720794.db2.gz GLDUVRIEAKGZKK-HYVNUMGLSA-N 2 1 361.490 0.885 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1 ZINC001022149249 1253786825 /nfs/dbraw/zinc/78/68/25/1253786825.db2.gz PCXXOQWCAWNXGA-YXJHDRRASA-N 2 1 367.453 0.959 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC001329562616 1265782054 /nfs/dbraw/zinc/78/20/54/1265782054.db2.gz GGQUAGFGIURQRI-ROUUACIJSA-N 2 1 356.470 0.602 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001034675630 1254001740 /nfs/dbraw/zinc/00/17/40/1254001740.db2.gz RTGDSGLFPMGDST-VDHUWJSZSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)O1 ZINC001034675630 1254001748 /nfs/dbraw/zinc/00/17/48/1254001748.db2.gz RTGDSGLFPMGDST-VDHUWJSZSA-N 2 1 363.506 0.699 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001034971555 1254014141 /nfs/dbraw/zinc/01/41/41/1254014141.db2.gz PQIBBOKHYLWGER-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001034971555 1254014147 /nfs/dbraw/zinc/01/41/47/1254014147.db2.gz PQIBBOKHYLWGER-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035200796 1254020554 /nfs/dbraw/zinc/02/05/54/1254020554.db2.gz RFMGSUHYJVHKMB-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035200796 1254020565 /nfs/dbraw/zinc/02/05/65/1254020565.db2.gz RFMGSUHYJVHKMB-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035200796 1254020574 /nfs/dbraw/zinc/02/05/74/1254020574.db2.gz RFMGSUHYJVHKMB-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035200796 1254020588 /nfs/dbraw/zinc/02/05/88/1254020588.db2.gz RFMGSUHYJVHKMB-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035710080 1254058272 /nfs/dbraw/zinc/05/82/72/1254058272.db2.gz IIPVBZHIHJSSOC-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H](C(=O)NC1CC1)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035710080 1254058282 /nfs/dbraw/zinc/05/82/82/1254058282.db2.gz IIPVBZHIHJSSOC-BFYDXBDKSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031434 1265832270 /nfs/dbraw/zinc/83/22/70/1265832270.db2.gz PJEOXESATSALSQ-WMZOPIPTSA-N 2 1 350.507 0.336 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001520031431 1265832073 /nfs/dbraw/zinc/83/20/73/1265832073.db2.gz PJEOXESATSALSQ-FUHWJXTLSA-N 2 1 350.507 0.336 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)O1 ZINC001062262895 1254256293 /nfs/dbraw/zinc/25/62/93/1254256293.db2.gz OFIFLSVPOKPJIM-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)O1 ZINC001062262895 1254256308 /nfs/dbraw/zinc/25/63/08/1254256308.db2.gz OFIFLSVPOKPJIM-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCc3nccn3C)CCC2)CC[N@H+]1C ZINC001063221876 1254316964 /nfs/dbraw/zinc/31/69/64/1254316964.db2.gz NFVFDYXICFRVTQ-HUUCEWRRSA-N 2 1 361.490 0.848 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063494542 1254351384 /nfs/dbraw/zinc/35/13/84/1254351384.db2.gz UXJXNBKEVXLUQZ-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC2)O1 ZINC001063494542 1254351396 /nfs/dbraw/zinc/35/13/96/1254351396.db2.gz UXJXNBKEVXLUQZ-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)O1 ZINC001063494542 1254351402 /nfs/dbraw/zinc/35/14/02/1254351402.db2.gz UXJXNBKEVXLUQZ-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)O1 ZINC001063494542 1254351414 /nfs/dbraw/zinc/35/14/14/1254351414.db2.gz UXJXNBKEVXLUQZ-OWCLPIDISA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066540838 1254608661 /nfs/dbraw/zinc/60/86/61/1254608661.db2.gz WYLWIGMZEBRFFK-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001066540838 1254608669 /nfs/dbraw/zinc/60/86/69/1254608669.db2.gz WYLWIGMZEBRFFK-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001066540838 1254608680 /nfs/dbraw/zinc/60/86/80/1254608680.db2.gz WYLWIGMZEBRFFK-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001066540838 1254608690 /nfs/dbraw/zinc/60/86/90/1254608690.db2.gz WYLWIGMZEBRFFK-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798711 1254618893 /nfs/dbraw/zinc/61/88/93/1254618893.db2.gz LOCZKTDLVJGQBI-QXAKKESOSA-N 2 1 357.502 0.837 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001077572779 1254714932 /nfs/dbraw/zinc/71/49/32/1254714932.db2.gz MLZYLSKRZLWBNL-RNIPGJKVSA-N 2 1 361.486 0.957 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077572779 1254714948 /nfs/dbraw/zinc/71/49/48/1254714948.db2.gz MLZYLSKRZLWBNL-RNIPGJKVSA-N 2 1 361.486 0.957 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077572779 1254714957 /nfs/dbraw/zinc/71/49/57/1254714957.db2.gz MLZYLSKRZLWBNL-RNIPGJKVSA-N 2 1 361.486 0.957 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077572779 1254714963 /nfs/dbraw/zinc/71/49/63/1254714963.db2.gz MLZYLSKRZLWBNL-RNIPGJKVSA-N 2 1 361.486 0.957 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001077679418 1254861080 /nfs/dbraw/zinc/86/10/80/1254861080.db2.gz QVQUUBGWGWXZES-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001077679418 1254861091 /nfs/dbraw/zinc/86/10/91/1254861091.db2.gz QVQUUBGWGWXZES-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001077679418 1254861114 /nfs/dbraw/zinc/86/11/14/1254861114.db2.gz QVQUUBGWGWXZES-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001077679418 1254861128 /nfs/dbraw/zinc/86/11/28/1254861128.db2.gz QVQUUBGWGWXZES-ATZDWAIDSA-N 2 1 361.486 0.836 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077685184 1254879842 /nfs/dbraw/zinc/87/98/42/1254879842.db2.gz CNBOJKLSGRFKOE-BHIYHBOVSA-N 2 1 361.486 0.602 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)CC1 ZINC001077778993 1254981174 /nfs/dbraw/zinc/98/11/74/1254981174.db2.gz BNNNQYURONNNIC-RTBURBONSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)cn1 ZINC001077818385 1255018581 /nfs/dbraw/zinc/01/85/81/1255018581.db2.gz RJIHOOCFUNADOI-HUUCEWRRSA-N 2 1 371.432 0.265 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078005338 1255162627 /nfs/dbraw/zinc/16/26/27/1255162627.db2.gz APGIFZNEAGULKT-QXAKKESOSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078005338 1255162632 /nfs/dbraw/zinc/16/26/32/1255162632.db2.gz APGIFZNEAGULKT-QXAKKESOSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078005338 1255162639 /nfs/dbraw/zinc/16/26/39/1255162639.db2.gz APGIFZNEAGULKT-QXAKKESOSA-N 2 1 361.486 0.836 20 0 FCADMP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1C ZINC001078011656 1255167800 /nfs/dbraw/zinc/16/78/00/1255167800.db2.gz AQSLIQNFZXZCEX-IAGOWNOFSA-N 2 1 359.470 0.761 20 0 FCADMP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012787 1255168713 /nfs/dbraw/zinc/16/87/13/1255168713.db2.gz AGJXGWWKILWKEC-SJLPKXTDSA-N 2 1 358.486 0.510 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CCC1 ZINC001078017926 1255173012 /nfs/dbraw/zinc/17/30/12/1255173012.db2.gz FASDJYRYUTZAMV-NXHRZFHOSA-N 2 1 362.474 0.738 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001078018149 1255175796 /nfs/dbraw/zinc/17/57/96/1255175796.db2.gz QHYFIGNUPSGLJN-SJLPKXTDSA-N 2 1 362.474 0.739 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001078018149 1255175806 /nfs/dbraw/zinc/17/58/06/1255175806.db2.gz QHYFIGNUPSGLJN-SJLPKXTDSA-N 2 1 362.474 0.739 20 0 FCADMP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078174540 1255289008 /nfs/dbraw/zinc/28/90/08/1255289008.db2.gz OREBACFFXITPFH-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078174540 1255289013 /nfs/dbraw/zinc/28/90/13/1255289013.db2.gz OREBACFFXITPFH-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078174540 1255289017 /nfs/dbraw/zinc/28/90/17/1255289017.db2.gz OREBACFFXITPFH-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078174540 1255289019 /nfs/dbraw/zinc/28/90/19/1255289019.db2.gz OREBACFFXITPFH-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078175765 1255289955 /nfs/dbraw/zinc/28/99/55/1255289955.db2.gz LIBRKCNCAVYZKY-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001078175765 1255289961 /nfs/dbraw/zinc/28/99/61/1255289961.db2.gz LIBRKCNCAVYZKY-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078175765 1255289968 /nfs/dbraw/zinc/28/99/68/1255289968.db2.gz LIBRKCNCAVYZKY-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078175765 1255289974 /nfs/dbraw/zinc/28/99/74/1255289974.db2.gz LIBRKCNCAVYZKY-ZTFGCOKTSA-N 2 1 363.458 0.187 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175837 1255290315 /nfs/dbraw/zinc/29/03/15/1255290315.db2.gz OVMNTWAILYCWQK-BHIYHBOVSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175837 1255290322 /nfs/dbraw/zinc/29/03/22/1255290322.db2.gz OVMNTWAILYCWQK-BHIYHBOVSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)C1 ZINC001078175837 1255290328 /nfs/dbraw/zinc/29/03/28/1255290328.db2.gz OVMNTWAILYCWQK-BHIYHBOVSA-N 2 1 369.469 0.485 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078175764 1255290357 /nfs/dbraw/zinc/29/03/57/1255290357.db2.gz LIBRKCNCAVYZKY-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001078175764 1255290363 /nfs/dbraw/zinc/29/03/63/1255290363.db2.gz LIBRKCNCAVYZKY-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001078175764 1255290368 /nfs/dbraw/zinc/29/03/68/1255290368.db2.gz LIBRKCNCAVYZKY-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001078175764 1255290373 /nfs/dbraw/zinc/29/03/73/1255290373.db2.gz LIBRKCNCAVYZKY-BMGDILEWSA-N 2 1 363.458 0.187 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)o1 ZINC001078261902 1255369398 /nfs/dbraw/zinc/36/93/98/1255369398.db2.gz JQZLFSMZWXHHHA-DJIMGWMZSA-N 2 1 365.474 0.933 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)nn1C ZINC001078405752 1255408723 /nfs/dbraw/zinc/40/87/23/1255408723.db2.gz XDGKIDZJXDLKNK-KBAYOESNSA-N 2 1 363.506 0.776 20 0 FCADMP C[NH+]1CCN(c2ccccc2CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC001330213989 1265965882 /nfs/dbraw/zinc/96/58/82/1265965882.db2.gz HFQBDOLFPBNKOO-QGZVFWFLSA-N 2 1 361.490 0.304 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079149682 1255460515 /nfs/dbraw/zinc/46/05/15/1255460515.db2.gz FUQDCPHHEGDMQB-BBWFWOEESA-N 2 1 362.449 0.679 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079191180 1255469576 /nfs/dbraw/zinc/46/95/76/1255469576.db2.gz AFEVVUFMROCVBU-JKSUJKDBSA-N 2 1 359.405 0.400 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079310671 1255505424 /nfs/dbraw/zinc/50/54/24/1255505424.db2.gz CRFBXGPMLIQYCX-JLJPHGGASA-N 2 1 362.449 0.537 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698147 1255577942 /nfs/dbraw/zinc/57/79/42/1255577942.db2.gz LUTCRBXZCABURG-HZPDHXFCSA-N 2 1 365.522 0.713 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001079949218 1255675851 /nfs/dbraw/zinc/67/58/51/1255675851.db2.gz UAXZTNIBVAPDEU-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001079949218 1255675861 /nfs/dbraw/zinc/67/58/61/1255675861.db2.gz UAXZTNIBVAPDEU-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161271 1255766062 /nfs/dbraw/zinc/76/60/62/1255766062.db2.gz UPESQAPYNPTHKP-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161271 1255766070 /nfs/dbraw/zinc/76/60/70/1255766070.db2.gz UPESQAPYNPTHKP-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161271 1255766076 /nfs/dbraw/zinc/76/60/76/1255766076.db2.gz UPESQAPYNPTHKP-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)ncn1 ZINC001080161271 1255766083 /nfs/dbraw/zinc/76/60/83/1255766083.db2.gz UPESQAPYNPTHKP-MTYXXWPBSA-N 2 1 371.485 0.585 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164501 1255767908 /nfs/dbraw/zinc/76/79/08/1255767908.db2.gz DQTKQKHCKYNODQ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164501 1255767916 /nfs/dbraw/zinc/76/79/16/1255767916.db2.gz DQTKQKHCKYNODQ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164501 1255767924 /nfs/dbraw/zinc/76/79/24/1255767924.db2.gz DQTKQKHCKYNODQ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)on1 ZINC001080164501 1255767927 /nfs/dbraw/zinc/76/79/27/1255767927.db2.gz DQTKQKHCKYNODQ-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311214 1255834290 /nfs/dbraw/zinc/83/42/90/1255834290.db2.gz VZNWBAAGKRVAEN-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311214 1255834300 /nfs/dbraw/zinc/83/43/00/1255834300.db2.gz VZNWBAAGKRVAEN-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080311214 1255834310 /nfs/dbraw/zinc/83/43/10/1255834310.db2.gz VZNWBAAGKRVAEN-BRWVUGGUSA-N 2 1 365.522 0.570 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080700188 1255993534 /nfs/dbraw/zinc/99/35/34/1255993534.db2.gz QBMDMYCOJLMLFE-BMFZPTHFSA-N 2 1 364.490 0.349 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080700188 1255993550 /nfs/dbraw/zinc/99/35/50/1255993550.db2.gz QBMDMYCOJLMLFE-BMFZPTHFSA-N 2 1 364.490 0.349 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787771 1256038274 /nfs/dbraw/zinc/03/82/74/1256038274.db2.gz RGBURJAEJBDMON-UKRRQHHQSA-N 2 1 370.457 0.055 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787771 1256038281 /nfs/dbraw/zinc/03/82/81/1256038281.db2.gz RGBURJAEJBDMON-UKRRQHHQSA-N 2 1 370.457 0.055 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787518 1256038462 /nfs/dbraw/zinc/03/84/62/1256038462.db2.gz DNLSVICNXNPMMN-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787518 1256038468 /nfs/dbraw/zinc/03/84/68/1256038468.db2.gz DNLSVICNXNPMMN-IAGOWNOFSA-N 2 1 362.518 0.777 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979500 1256123990 /nfs/dbraw/zinc/12/39/90/1256123990.db2.gz ROBYTSJWTWHUCG-OIISXLGYSA-N 2 1 362.474 0.043 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979500 1256123999 /nfs/dbraw/zinc/12/39/99/1256123999.db2.gz ROBYTSJWTWHUCG-OIISXLGYSA-N 2 1 362.474 0.043 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979500 1256124003 /nfs/dbraw/zinc/12/40/03/1256124003.db2.gz ROBYTSJWTWHUCG-OIISXLGYSA-N 2 1 362.474 0.043 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001080979500 1256124009 /nfs/dbraw/zinc/12/40/09/1256124009.db2.gz ROBYTSJWTWHUCG-OIISXLGYSA-N 2 1 362.474 0.043 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097682 1256176078 /nfs/dbraw/zinc/17/60/78/1256176078.db2.gz CDSBIDHFKBNLAR-KSZLIROESA-N 2 1 368.485 0.994 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081097682 1256176081 /nfs/dbraw/zinc/17/60/81/1256176081.db2.gz CDSBIDHFKBNLAR-KSZLIROESA-N 2 1 368.485 0.994 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2c2ccccc2)n1 ZINC001081097994 1256176635 /nfs/dbraw/zinc/17/66/35/1256176635.db2.gz PMCUUABUCZLLER-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2c2ccccc2)n1 ZINC001081097994 1256176638 /nfs/dbraw/zinc/17/66/38/1256176638.db2.gz PMCUUABUCZLLER-OTWHNJEPSA-N 2 1 368.485 0.994 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081124393 1256188190 /nfs/dbraw/zinc/18/81/90/1256188190.db2.gz DEWAPOGBGABUGQ-RCCFBDPRSA-N 2 1 358.486 0.930 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001081133596 1256190631 /nfs/dbraw/zinc/19/06/31/1256190631.db2.gz AYZSZKSOKCUOFI-GVDBMIGSSA-N 2 1 371.489 0.635 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081146775 1256193520 /nfs/dbraw/zinc/19/35/20/1256193520.db2.gz OQFFUSZPLWSNRP-RCCFBDPRSA-N 2 1 367.453 0.664 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2ccccc2)n1 ZINC001081227175 1256212574 /nfs/dbraw/zinc/21/25/74/1256212574.db2.gz UMRSWRBMXMLLHJ-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2ccccc2)n1 ZINC001081227175 1256212575 /nfs/dbraw/zinc/21/25/75/1256212575.db2.gz UMRSWRBMXMLLHJ-YTQUADARSA-N 2 1 368.485 0.851 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001081229155 1256212917 /nfs/dbraw/zinc/21/29/17/1256212917.db2.gz JJDUMMUEBNZNEZ-XOKHGSTOSA-N 2 1 355.442 0.650 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670150 1256328667 /nfs/dbraw/zinc/32/86/67/1256328667.db2.gz HPYJUWYLGGOFJD-GUDVDZBRSA-N 2 1 365.518 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675955 1256332081 /nfs/dbraw/zinc/33/20/81/1256332081.db2.gz OGXZOIWKFRALQU-KZNAEPCWSA-N 2 1 361.490 0.386 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675955 1256332085 /nfs/dbraw/zinc/33/20/85/1256332085.db2.gz OGXZOIWKFRALQU-KZNAEPCWSA-N 2 1 361.490 0.386 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675956 1256332127 /nfs/dbraw/zinc/33/21/27/1256332127.db2.gz OGXZOIWKFRALQU-RCCFBDPRSA-N 2 1 361.490 0.386 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675956 1256332133 /nfs/dbraw/zinc/33/21/33/1256332133.db2.gz OGXZOIWKFRALQU-RCCFBDPRSA-N 2 1 361.490 0.386 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001081767099 1256358998 /nfs/dbraw/zinc/35/89/98/1256358998.db2.gz QYPIAQUGUVMHJA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001081767099 1256359004 /nfs/dbraw/zinc/35/90/04/1256359004.db2.gz QYPIAQUGUVMHJA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001081767099 1256359012 /nfs/dbraw/zinc/35/90/12/1256359012.db2.gz QYPIAQUGUVMHJA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001081767099 1256359022 /nfs/dbraw/zinc/35/90/22/1256359022.db2.gz QYPIAQUGUVMHJA-FGTMMUONSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096049 1256533361 /nfs/dbraw/zinc/53/33/61/1256533361.db2.gz WCAJQNVCZXNGIV-USXIJHARSA-N 2 1 366.506 0.060 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082327080 1256668616 /nfs/dbraw/zinc/66/86/16/1256668616.db2.gz BPKKXRMKDKLKNY-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082327080 1256668622 /nfs/dbraw/zinc/66/86/22/1256668622.db2.gz BPKKXRMKDKLKNY-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082327080 1256668627 /nfs/dbraw/zinc/66/86/27/1256668627.db2.gz BPKKXRMKDKLKNY-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)cn1 ZINC001082328792 1256671059 /nfs/dbraw/zinc/67/10/59/1256671059.db2.gz LQEDYAJOZQTRAQ-IAGOWNOFSA-N 2 1 361.490 0.357 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368572 1256716172 /nfs/dbraw/zinc/71/61/72/1256716172.db2.gz HHHLVAJYCCLZRN-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368572 1256716176 /nfs/dbraw/zinc/71/61/76/1256716176.db2.gz HHHLVAJYCCLZRN-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368572 1256716181 /nfs/dbraw/zinc/71/61/81/1256716181.db2.gz HHHLVAJYCCLZRN-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368572 1256716187 /nfs/dbraw/zinc/71/61/87/1256716187.db2.gz HHHLVAJYCCLZRN-BRWVUGGUSA-N 2 1 360.458 0.053 20 0 FCADMP CO[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370016 1256719494 /nfs/dbraw/zinc/71/94/94/1256719494.db2.gz OBTLDBJWJZXINP-YXJHDRRASA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370016 1256719500 /nfs/dbraw/zinc/71/95/00/1256719500.db2.gz OBTLDBJWJZXINP-YXJHDRRASA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082370016 1256719504 /nfs/dbraw/zinc/71/95/04/1256719504.db2.gz OBTLDBJWJZXINP-YXJHDRRASA-N 2 1 365.449 0.972 20 0 FCADMP CO[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082370016 1256719508 /nfs/dbraw/zinc/71/95/08/1256719508.db2.gz OBTLDBJWJZXINP-YXJHDRRASA-N 2 1 365.449 0.972 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082450027 1256767070 /nfs/dbraw/zinc/76/70/70/1256767070.db2.gz SKHQWWAMZHAKGE-YUELXQCFSA-N 2 1 371.445 0.557 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082450027 1256767074 /nfs/dbraw/zinc/76/70/74/1256767074.db2.gz SKHQWWAMZHAKGE-YUELXQCFSA-N 2 1 371.445 0.557 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001082515571 1256800324 /nfs/dbraw/zinc/80/03/24/1256800324.db2.gz RIBHPBJQABFQIG-DAXOMENPSA-N 2 1 358.490 0.960 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)no1 ZINC001082517761 1256800667 /nfs/dbraw/zinc/80/06/67/1256800667.db2.gz DAJUADCYNQZHKQ-CXAGYDPISA-N 2 1 360.462 0.991 20 0 FCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)[nH]1 ZINC001082517810 1256802080 /nfs/dbraw/zinc/80/20/80/1256802080.db2.gz GZOTVXNXODMJKA-IUODEOHRSA-N 2 1 360.466 0.122 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082520742 1256805869 /nfs/dbraw/zinc/80/58/69/1256805869.db2.gz QNTCRHYVNUWGNR-KBUPBQIOSA-N 2 1 362.478 0.085 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082520742 1256805876 /nfs/dbraw/zinc/80/58/76/1256805876.db2.gz QNTCRHYVNUWGNR-KBUPBQIOSA-N 2 1 362.478 0.085 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082559471 1256856279 /nfs/dbraw/zinc/85/62/79/1256856279.db2.gz GGXGEEUGBWPLTM-SIIHOXLZSA-N 2 1 360.506 0.891 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082558971 1256857980 /nfs/dbraw/zinc/85/79/80/1256857980.db2.gz NWUVGHJFYHZMAJ-KFWWJZLASA-N 2 1 360.462 0.222 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590272 1256904365 /nfs/dbraw/zinc/90/43/65/1256904365.db2.gz MMVOIUMQBOCEHW-GKLJAUDBSA-N 2 1 364.494 0.262 20 0 FCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590272 1256904369 /nfs/dbraw/zinc/90/43/69/1256904369.db2.gz MMVOIUMQBOCEHW-GKLJAUDBSA-N 2 1 364.494 0.262 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082592696 1256905949 /nfs/dbraw/zinc/90/59/49/1256905949.db2.gz SIOOMEMFMOCGKN-GDBMZVCRSA-N 2 1 364.494 0.110 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001082646194 1256950288 /nfs/dbraw/zinc/95/02/88/1256950288.db2.gz BOZXTOTYKDVELW-IUODEOHRSA-N 2 1 369.429 0.164 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082741252 1257021095 /nfs/dbraw/zinc/02/10/95/1257021095.db2.gz UQQQXNGIOAMGLD-RBSFLKMASA-N 2 1 362.478 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082741252 1257021102 /nfs/dbraw/zinc/02/11/02/1257021102.db2.gz UQQQXNGIOAMGLD-RBSFLKMASA-N 2 1 362.478 0.229 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)C2 ZINC001082743378 1257024480 /nfs/dbraw/zinc/02/44/80/1257024480.db2.gz XJAYFYAPOMDOCR-HACGYAERSA-N 2 1 357.462 0.519 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001082774136 1257044804 /nfs/dbraw/zinc/04/48/04/1257044804.db2.gz BRHCQOYIMRNHEV-HZSPNIEDSA-N 2 1 361.446 0.248 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)o1 ZINC001082797899 1257058110 /nfs/dbraw/zinc/05/81/10/1257058110.db2.gz WSMLHKKTLCCNOJ-CZUORRHYSA-N 2 1 360.462 0.991 20 0 FCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082808076 1257066619 /nfs/dbraw/zinc/06/66/19/1257066619.db2.gz TVTIOJKMYGASDD-RHSMWYFYSA-N 2 1 364.494 0.054 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082861441 1257112704 /nfs/dbraw/zinc/11/27/04/1257112704.db2.gz AYSKFMNOJVDQES-OWCLPIDISA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082861441 1257112706 /nfs/dbraw/zinc/11/27/06/1257112706.db2.gz AYSKFMNOJVDQES-OWCLPIDISA-N 2 1 360.506 0.893 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082863197 1257113439 /nfs/dbraw/zinc/11/34/39/1257113439.db2.gz RVXJVPVDGIVBBD-CHWSQXEVSA-N 2 1 368.432 0.576 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861639 1257114052 /nfs/dbraw/zinc/11/40/52/1257114052.db2.gz JGZGQEKNJSELEA-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082861639 1257114053 /nfs/dbraw/zinc/11/40/53/1257114053.db2.gz JGZGQEKNJSELEA-OWCLPIDISA-N 2 1 363.510 0.752 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082920786 1257145436 /nfs/dbraw/zinc/14/54/36/1257145436.db2.gz DVIMNGHOODEDLP-HLLBOEOZSA-N 2 1 369.473 0.551 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082920786 1257145440 /nfs/dbraw/zinc/14/54/40/1257145440.db2.gz DVIMNGHOODEDLP-HLLBOEOZSA-N 2 1 369.473 0.551 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082935106 1257156395 /nfs/dbraw/zinc/15/63/95/1257156395.db2.gz KMTPBHMHYOIPTC-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082935106 1257156400 /nfs/dbraw/zinc/15/64/00/1257156400.db2.gz KMTPBHMHYOIPTC-ZACQAIPSSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082943689 1257160779 /nfs/dbraw/zinc/16/07/79/1257160779.db2.gz XHJLZSMAIHYDFW-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083083696 1257284253 /nfs/dbraw/zinc/28/42/53/1257284253.db2.gz GZQNADYUMLPYSJ-OKZBNKHCSA-N 2 1 359.474 0.137 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083083696 1257284259 /nfs/dbraw/zinc/28/42/59/1257284259.db2.gz GZQNADYUMLPYSJ-OKZBNKHCSA-N 2 1 359.474 0.137 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083110596 1257333750 /nfs/dbraw/zinc/33/37/50/1257333750.db2.gz LJNHXYGLGVVZOU-OKZBNKHCSA-N 2 1 361.490 0.669 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083110596 1257333755 /nfs/dbraw/zinc/33/37/55/1257333755.db2.gz LJNHXYGLGVVZOU-OKZBNKHCSA-N 2 1 361.490 0.669 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083110596 1257333761 /nfs/dbraw/zinc/33/37/61/1257333761.db2.gz LJNHXYGLGVVZOU-OKZBNKHCSA-N 2 1 361.490 0.669 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083110596 1257333770 /nfs/dbraw/zinc/33/37/70/1257333770.db2.gz LJNHXYGLGVVZOU-OKZBNKHCSA-N 2 1 361.490 0.669 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083144382 1257398712 /nfs/dbraw/zinc/39/87/12/1257398712.db2.gz DNEDOTSMGOYENQ-JCGIZDLHSA-N 2 1 356.426 0.896 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001083149082 1257404263 /nfs/dbraw/zinc/40/42/63/1257404263.db2.gz XNLMGNFUJVYSGS-KZIZELGASA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083149082 1257404265 /nfs/dbraw/zinc/40/42/65/1257404265.db2.gz XNLMGNFUJVYSGS-KZIZELGASA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083149082 1257404268 /nfs/dbraw/zinc/40/42/68/1257404268.db2.gz XNLMGNFUJVYSGS-KZIZELGASA-N 2 1 361.486 0.561 20 0 FCADMP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001083749085 1257488265 /nfs/dbraw/zinc/48/82/65/1257488265.db2.gz GIDHQLNMUGYZDC-MOPGFXCFSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC001330968628 1266124006 /nfs/dbraw/zinc/12/40/06/1266124006.db2.gz FGERTMLGZONDLT-HKUYNNGSSA-N 2 1 366.550 0.925 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083833719 1257587185 /nfs/dbraw/zinc/58/71/85/1257587185.db2.gz RCUHUZMFMDOQOM-CVEARBPZSA-N 2 1 365.478 0.204 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083833719 1257587187 /nfs/dbraw/zinc/58/71/87/1257587187.db2.gz RCUHUZMFMDOQOM-CVEARBPZSA-N 2 1 365.478 0.204 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)cn1 ZINC001083851126 1257607852 /nfs/dbraw/zinc/60/78/52/1257607852.db2.gz NYUQEECMONKOOT-SJORKVTESA-N 2 1 363.506 0.656 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083887807 1257659484 /nfs/dbraw/zinc/65/94/84/1257659484.db2.gz MHRITIASAXXXDY-QRVBRYPASA-N 2 1 367.534 0.821 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083887807 1257659490 /nfs/dbraw/zinc/65/94/90/1257659490.db2.gz MHRITIASAXXXDY-QRVBRYPASA-N 2 1 367.534 0.821 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954949 1257744277 /nfs/dbraw/zinc/74/42/77/1257744277.db2.gz PHUPDAGHVCGEKO-UAGQMJEPSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954949 1257744280 /nfs/dbraw/zinc/74/42/80/1257744280.db2.gz PHUPDAGHVCGEKO-UAGQMJEPSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954949 1257744284 /nfs/dbraw/zinc/74/42/84/1257744284.db2.gz PHUPDAGHVCGEKO-UAGQMJEPSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083954949 1257744286 /nfs/dbraw/zinc/74/42/86/1257744286.db2.gz PHUPDAGHVCGEKO-UAGQMJEPSA-N 2 1 365.449 0.708 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959245 1257749078 /nfs/dbraw/zinc/74/90/78/1257749078.db2.gz NHLLFRDIDHPVCU-MSOLQXFVSA-N 2 1 365.518 0.983 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078196 1257904897 /nfs/dbraw/zinc/90/48/97/1257904897.db2.gz QCJFXOOGNKEAOM-QYZOEREBSA-N 2 1 361.486 0.420 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078196 1257904904 /nfs/dbraw/zinc/90/49/04/1257904904.db2.gz QCJFXOOGNKEAOM-QYZOEREBSA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078196 1257904910 /nfs/dbraw/zinc/90/49/10/1257904910.db2.gz QCJFXOOGNKEAOM-QYZOEREBSA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078196 1257904916 /nfs/dbraw/zinc/90/49/16/1257904916.db2.gz QCJFXOOGNKEAOM-QYZOEREBSA-N 2 1 361.486 0.420 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CCC1 ZINC001084405032 1258083629 /nfs/dbraw/zinc/08/36/29/1258083629.db2.gz XNAPCFUFRVQRKM-HUUCEWRRSA-N 2 1 362.474 0.152 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CCC1 ZINC001084405032 1258083637 /nfs/dbraw/zinc/08/36/37/1258083637.db2.gz XNAPCFUFRVQRKM-HUUCEWRRSA-N 2 1 362.474 0.152 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCn3nc(C)nc3C)C[C@H]21 ZINC001084523685 1258149663 /nfs/dbraw/zinc/14/96/63/1258149663.db2.gz RHIVJQFFAQFYME-IAGOWNOFSA-N 2 1 357.462 0.633 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCn3nc(C)nc3C)C[C@H]21 ZINC001084523685 1258149665 /nfs/dbraw/zinc/14/96/65/1258149665.db2.gz RHIVJQFFAQFYME-IAGOWNOFSA-N 2 1 357.462 0.633 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001084609064 1258196017 /nfs/dbraw/zinc/19/60/17/1258196017.db2.gz USGLXCUONRTKMG-LISAXSMJSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001084609064 1258196019 /nfs/dbraw/zinc/19/60/19/1258196019.db2.gz USGLXCUONRTKMG-LISAXSMJSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001084609064 1258196021 /nfs/dbraw/zinc/19/60/21/1258196021.db2.gz USGLXCUONRTKMG-LISAXSMJSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001084609064 1258196025 /nfs/dbraw/zinc/19/60/25/1258196025.db2.gz USGLXCUONRTKMG-LISAXSMJSA-N 2 1 362.518 0.870 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCOC4)C[C@H]32)cn1 ZINC001084714376 1258260190 /nfs/dbraw/zinc/26/01/90/1258260190.db2.gz DMZXUVYXMPPAHM-JFIYKMOQSA-N 2 1 361.490 0.628 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766638 1258304064 /nfs/dbraw/zinc/30/40/64/1258304064.db2.gz IBQRXNBQHDKNDA-BMGDILEWSA-N 2 1 362.518 0.776 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766638 1258304071 /nfs/dbraw/zinc/30/40/71/1258304071.db2.gz IBQRXNBQHDKNDA-BMGDILEWSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnnn4C)[C@H]3C2)CC[N@@H+]1C ZINC001085017631 1258522492 /nfs/dbraw/zinc/52/24/92/1258522492.db2.gz PPEBWEHIBJMDDH-DFGXFYAUSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnnn4C)[C@H]3C2)CC[N@H+]1C ZINC001085017631 1258522495 /nfs/dbraw/zinc/52/24/95/1258522495.db2.gz PPEBWEHIBJMDDH-DFGXFYAUSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cnnn4C)[C@H]3C2)CC[NH+]1C ZINC001085017631 1258522501 /nfs/dbraw/zinc/52/25/01/1258522501.db2.gz PPEBWEHIBJMDDH-DFGXFYAUSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnnn4C)[C@H]3C2)CC[NH+]1C ZINC001085017631 1258522504 /nfs/dbraw/zinc/52/25/04/1258522504.db2.gz PPEBWEHIBJMDDH-DFGXFYAUSA-N 2 1 360.506 0.968 20 0 FCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)cc1=O ZINC001085092688 1258585290 /nfs/dbraw/zinc/58/52/90/1258585290.db2.gz MDQGWNUSJIXNCN-SQNIBIBYSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)cc1=O ZINC001085092688 1258585297 /nfs/dbraw/zinc/58/52/97/1258585297.db2.gz MDQGWNUSJIXNCN-SQNIBIBYSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)cc1=O ZINC001085092688 1258585304 /nfs/dbraw/zinc/58/53/04/1258585304.db2.gz MDQGWNUSJIXNCN-SQNIBIBYSA-N 2 1 358.486 0.760 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093031 1258587111 /nfs/dbraw/zinc/58/71/11/1258587111.db2.gz BIOBOWKPWDSXLD-OAGGEKHMSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093031 1258587117 /nfs/dbraw/zinc/58/71/17/1258587117.db2.gz BIOBOWKPWDSXLD-OAGGEKHMSA-N 2 1 362.474 0.010 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093031 1258587124 /nfs/dbraw/zinc/58/71/24/1258587124.db2.gz BIOBOWKPWDSXLD-OAGGEKHMSA-N 2 1 362.474 0.010 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001085093585 1258587421 /nfs/dbraw/zinc/58/74/21/1258587421.db2.gz LNHPPUYVQOTVQP-CVEARBPZSA-N 2 1 362.474 0.154 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)cc1=O ZINC001085159029 1258612208 /nfs/dbraw/zinc/61/22/08/1258612208.db2.gz FNHKHPZOLQCSNC-BRWVUGGUSA-N 2 1 362.474 0.233 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1=O ZINC001085159029 1258612215 /nfs/dbraw/zinc/61/22/15/1258612215.db2.gz FNHKHPZOLQCSNC-BRWVUGGUSA-N 2 1 362.474 0.233 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nnn(C)n1 ZINC001087166041 1258634658 /nfs/dbraw/zinc/63/46/58/1258634658.db2.gz WLQBBIRNBNHWDW-OWCLPIDISA-N 2 1 363.510 0.800 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199507 1258720379 /nfs/dbraw/zinc/72/03/79/1258720379.db2.gz QUGZNIFXCNHXPB-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199507 1258720384 /nfs/dbraw/zinc/72/03/84/1258720384.db2.gz QUGZNIFXCNHXPB-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)C1 ZINC001088199507 1258720386 /nfs/dbraw/zinc/72/03/86/1258720386.db2.gz QUGZNIFXCNHXPB-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199807 1258721210 /nfs/dbraw/zinc/72/12/10/1258721210.db2.gz CXTRDIJELMCBPC-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199807 1258721215 /nfs/dbraw/zinc/72/12/15/1258721215.db2.gz CXTRDIJELMCBPC-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199807 1258721220 /nfs/dbraw/zinc/72/12/20/1258721220.db2.gz CXTRDIJELMCBPC-OAGGEKHMSA-N 2 1 359.474 0.717 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212609 1258734927 /nfs/dbraw/zinc/73/49/27/1258734927.db2.gz CKEYNQYZUBTZPI-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212609 1258734936 /nfs/dbraw/zinc/73/49/36/1258734936.db2.gz CKEYNQYZUBTZPI-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088212609 1258734947 /nfs/dbraw/zinc/73/49/47/1258734947.db2.gz CKEYNQYZUBTZPI-SOLBZPMBSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc(N2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091160025 1258797691 /nfs/dbraw/zinc/79/76/91/1258797691.db2.gz QQXDUPIMGYIGTA-SJORKVTESA-N 2 1 370.457 0.681 20 0 FCADMP [NH3+]C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001331427622 1266214701 /nfs/dbraw/zinc/21/47/01/1266214701.db2.gz VFRDFHOMJLUZTB-OALUTQOASA-N 2 1 360.502 0.642 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828886 1258858077 /nfs/dbraw/zinc/85/80/77/1258858077.db2.gz UKLSUVXAMUTHJE-FRFSOERESA-N 2 1 355.442 0.911 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001331449270 1266217372 /nfs/dbraw/zinc/21/73/72/1266217372.db2.gz HEWNZGHIVBXXQW-IPMKNSEASA-N 2 1 370.497 0.835 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2C)[C@H](C)C1 ZINC001106765773 1258958428 /nfs/dbraw/zinc/95/84/28/1258958428.db2.gz TZGXVDJCMXUVMD-GDBMZVCRSA-N 2 1 359.478 0.985 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767541 1258958647 /nfs/dbraw/zinc/95/86/47/1258958647.db2.gz HIEVRMVKVSEFLE-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106840092 1258974154 /nfs/dbraw/zinc/97/41/54/1258974154.db2.gz XMVRNWJFWDHPIG-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106874399 1258985202 /nfs/dbraw/zinc/98/52/02/1258985202.db2.gz GNRXFRLEINAADC-RBSFLKMASA-N 2 1 363.462 0.639 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106987199 1259012403 /nfs/dbraw/zinc/01/24/03/1259012403.db2.gz XCKUVRHDFSVTCH-CKEIUWERSA-N 2 1 361.490 0.790 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1 ZINC001106987248 1259012790 /nfs/dbraw/zinc/01/27/90/1259012790.db2.gz ZNUSHXGGNHAATO-KBAYOESNSA-N 2 1 366.506 0.909 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106987200 1259013169 /nfs/dbraw/zinc/01/31/69/1259013169.db2.gz XCKUVRHDFSVTCH-JKIFEVAISA-N 2 1 361.490 0.790 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)C1 ZINC001107008980 1259017034 /nfs/dbraw/zinc/01/70/34/1259017034.db2.gz GCPCWNWOGQWNFI-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCc3ccnn3C)[C@H](C)C2)C1 ZINC001107008980 1259017044 /nfs/dbraw/zinc/01/70/44/1259017044.db2.gz GCPCWNWOGQWNFI-JFIYKMOQSA-N 2 1 363.506 0.367 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001107009097 1259017105 /nfs/dbraw/zinc/01/71/05/1259017105.db2.gz KXSSPLYCCLUAKM-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001107009097 1259017109 /nfs/dbraw/zinc/01/71/09/1259017109.db2.gz KXSSPLYCCLUAKM-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)C1 ZINC001107009502 1259017580 /nfs/dbraw/zinc/01/75/80/1259017580.db2.gz SVVSXYCFEZKIJS-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C2)C1 ZINC001107009502 1259017583 /nfs/dbraw/zinc/01/75/83/1259017583.db2.gz SVVSXYCFEZKIJS-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039462 1259022721 /nfs/dbraw/zinc/02/27/21/1259022721.db2.gz SMKQXVIVXJCPMA-HUUCEWRRSA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001107075135 1259028863 /nfs/dbraw/zinc/02/88/63/1259028863.db2.gz QUNSOSMVWSTAAX-NVXWUHKLSA-N 2 1 371.489 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001107075135 1259028867 /nfs/dbraw/zinc/02/88/67/1259028867.db2.gz QUNSOSMVWSTAAX-NVXWUHKLSA-N 2 1 371.489 0.526 20 0 FCADMP CN(CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)c1cc[nH+]cc1 ZINC001107457780 1259094413 /nfs/dbraw/zinc/09/44/13/1259094413.db2.gz OYLVDEZYTGDDCU-VQIMIIECSA-N 2 1 359.474 0.754 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107454914 1259095035 /nfs/dbraw/zinc/09/50/35/1259095035.db2.gz PWISKEJXGKWDII-FZKQIMNGSA-N 2 1 367.494 0.272 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107454914 1259095043 /nfs/dbraw/zinc/09/50/43/1259095043.db2.gz PWISKEJXGKWDII-FZKQIMNGSA-N 2 1 367.494 0.272 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107454914 1259095050 /nfs/dbraw/zinc/09/50/50/1259095050.db2.gz PWISKEJXGKWDII-FZKQIMNGSA-N 2 1 367.494 0.272 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)C1 ZINC001107609102 1259132105 /nfs/dbraw/zinc/13/21/05/1259132105.db2.gz CQNMIVJGEPGWDT-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107609102 1259132107 /nfs/dbraw/zinc/13/21/07/1259132107.db2.gz CQNMIVJGEPGWDT-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)C1 ZINC001107609102 1259132111 /nfs/dbraw/zinc/13/21/11/1259132111.db2.gz CQNMIVJGEPGWDT-WRWLIDTKSA-N 2 1 362.518 0.968 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001331604044 1266246978 /nfs/dbraw/zinc/24/69/78/1266246978.db2.gz MKSCYNGYYDQSTL-KZNAEPCWSA-N 2 1 374.485 0.247 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989805 1259284716 /nfs/dbraw/zinc/28/47/16/1259284716.db2.gz VMVQAKDNKJZZLW-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989805 1259284720 /nfs/dbraw/zinc/28/47/20/1259284720.db2.gz VMVQAKDNKJZZLW-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989805 1259284723 /nfs/dbraw/zinc/28/47/23/1259284723.db2.gz VMVQAKDNKJZZLW-IKGGRYGDSA-N 2 1 364.494 0.529 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049018 1259299512 /nfs/dbraw/zinc/29/95/12/1259299512.db2.gz OKLSAVQGIQACEP-OAGGEKHMSA-N 2 1 364.494 0.265 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CCCC1 ZINC001129127427 1259322196 /nfs/dbraw/zinc/32/21/96/1259322196.db2.gz BPSBFLDWSYHDBQ-CVEARBPZSA-N 2 1 364.494 0.267 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220316 1259347294 /nfs/dbraw/zinc/34/72/94/1259347294.db2.gz VEHSDXFMIBUFGK-XHSDSOJGSA-N 2 1 364.494 0.122 20 0 FCADMP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129228309 1259349905 /nfs/dbraw/zinc/34/99/05/1259349905.db2.gz NATDXCUDBOVWCY-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129228566 1259350698 /nfs/dbraw/zinc/35/06/98/1259350698.db2.gz YGCMWJCNWLKVKG-SJORKVTESA-N 2 1 360.437 0.911 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1ccnn1 ZINC001129228566 1259350704 /nfs/dbraw/zinc/35/07/04/1259350704.db2.gz YGCMWJCNWLKVKG-SJORKVTESA-N 2 1 360.437 0.911 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1n1ccnn1 ZINC001129228488 1259351243 /nfs/dbraw/zinc/35/12/43/1259351243.db2.gz VBSANFTZDQCOGT-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1n1ccnn1 ZINC001129228488 1259351246 /nfs/dbraw/zinc/35/12/46/1259351246.db2.gz VBSANFTZDQCOGT-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@H]1O ZINC001160655467 1259386473 /nfs/dbraw/zinc/38/64/73/1259386473.db2.gz MYENDQGGFYLDBY-ANTGDGSKSA-N 3 1 372.513 0.409 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCc3ccnn3C)C2)CC[N@H+]1C ZINC001200547577 1259416569 /nfs/dbraw/zinc/41/65/69/1259416569.db2.gz OVYKMBGDIPHLCJ-BPQIPLTHSA-N 2 1 363.506 0.510 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212353179 1259470678 /nfs/dbraw/zinc/47/06/78/1259470678.db2.gz LDFDBVQAISEKBS-GVDBMIGSSA-N 2 1 369.485 0.458 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407756 1259494219 /nfs/dbraw/zinc/49/42/19/1259494219.db2.gz DYLCTROAHCOHDN-BZUAXINKSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519181 /nfs/dbraw/zinc/51/91/81/1259519181.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519190 /nfs/dbraw/zinc/51/91/90/1259519190.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519195 /nfs/dbraw/zinc/51/91/95/1259519195.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 2 1 368.522 0.448 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212487244 1259523332 /nfs/dbraw/zinc/52/33/32/1259523332.db2.gz XQDOCXCMXXLHFA-HZPDHXFCSA-N 2 1 366.510 0.441 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212487244 1259523336 /nfs/dbraw/zinc/52/33/36/1259523336.db2.gz XQDOCXCMXXLHFA-HZPDHXFCSA-N 2 1 366.510 0.441 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212487244 1259523341 /nfs/dbraw/zinc/52/33/41/1259523341.db2.gz XQDOCXCMXXLHFA-HZPDHXFCSA-N 2 1 366.510 0.441 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212487244 1259523343 /nfs/dbraw/zinc/52/33/43/1259523343.db2.gz XQDOCXCMXXLHFA-HZPDHXFCSA-N 2 1 366.510 0.441 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216222186 1259537591 /nfs/dbraw/zinc/53/75/91/1259537591.db2.gz VDLPEGBQTHYGSJ-RBSFLKMASA-N 2 1 362.478 0.582 20 0 FCADMP c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cnc12 ZINC001234985702 1259565662 /nfs/dbraw/zinc/56/56/62/1259565662.db2.gz DULWXOXFDTXGOD-LJQANCHMSA-N 3 1 355.490 0.334 20 0 FCADMP CC1(C)NC[C@@H](C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470470 1259572786 /nfs/dbraw/zinc/57/27/86/1259572786.db2.gz AGOLCEKIKYNMAF-JKSUJKDBSA-N 2 1 367.490 0.298 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470470 1259572793 /nfs/dbraw/zinc/57/27/93/1259572793.db2.gz AGOLCEKIKYNMAF-JKSUJKDBSA-N 2 1 367.490 0.298 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)O1 ZINC001235470470 1259572799 /nfs/dbraw/zinc/57/27/99/1259572799.db2.gz AGOLCEKIKYNMAF-JKSUJKDBSA-N 2 1 367.490 0.298 20 0 FCADMP C[C@H]([NH3+])CN1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001235490341 1259573702 /nfs/dbraw/zinc/57/37/02/1259573702.db2.gz MAKPXCAAJKZTDI-OXJNMPFZSA-N 2 1 357.502 0.833 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)O1 ZINC001235529501 1259574232 /nfs/dbraw/zinc/57/42/32/1259574232.db2.gz GLSZNBNKDKOGPB-XBVQOTNRSA-N 2 1 363.458 0.815 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)O1 ZINC001235529501 1259574238 /nfs/dbraw/zinc/57/42/38/1259574238.db2.gz GLSZNBNKDKOGPB-XBVQOTNRSA-N 2 1 363.458 0.815 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(C[C@H]([NH3+])Cc3ccccc3)CC[C@@H]2C1 ZINC001235547913 1259579390 /nfs/dbraw/zinc/57/93/90/1259579390.db2.gz UDRJOBABUZHHED-VAMGGRTRSA-N 2 1 374.529 0.667 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1 ZINC001236036137 1259587903 /nfs/dbraw/zinc/58/79/03/1259587903.db2.gz SOLWCYPAGFFYLQ-GJRWTSMGSA-N 2 1 359.426 0.699 20 0 FCADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307570 1259589156 /nfs/dbraw/zinc/58/91/56/1259589156.db2.gz CJRZENAIZGAWNU-HNNXBMFYSA-N 3 1 364.490 0.710 20 0 FCADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307570 1259589162 /nfs/dbraw/zinc/58/91/62/1259589162.db2.gz CJRZENAIZGAWNU-HNNXBMFYSA-N 3 1 364.490 0.710 20 0 FCADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC1(c2ccccc2)CCOCC1 ZINC001236307895 1259589390 /nfs/dbraw/zinc/58/93/90/1259589390.db2.gz FLACTITYYUBLDK-UHFFFAOYSA-N 3 1 362.518 0.851 20 0 FCADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC1(c2ccccc2)CCOCC1 ZINC001236307895 1259589394 /nfs/dbraw/zinc/58/93/94/1259589394.db2.gz FLACTITYYUBLDK-UHFFFAOYSA-N 3 1 362.518 0.851 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(-c3cncc(N4CC[NH2+]CC4)n3)cc2)CC1 ZINC001236555741 1259590042 /nfs/dbraw/zinc/59/00/42/1259590042.db2.gz LLMWSTYKATWXIE-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP c1nn(CC[NH+]2CCOCC2)cc1-c1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001240541380 1259628975 /nfs/dbraw/zinc/62/89/75/1259628975.db2.gz NKFINZQPRHXZJX-MRXNPFEDSA-N 2 1 358.446 0.803 20 0 FCADMP O[C@@H](C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036356 1259646509 /nfs/dbraw/zinc/64/65/09/1259646509.db2.gz QHIOKGFWIISLAW-VAMGGRTRSA-N 3 1 359.514 0.931 20 0 FCADMP O[C@@H](CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246036356 1259646518 /nfs/dbraw/zinc/64/65/18/1259646518.db2.gz QHIOKGFWIISLAW-VAMGGRTRSA-N 2 1 359.514 0.931 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CN1 ZINC001246348082 1259652822 /nfs/dbraw/zinc/65/28/22/1259652822.db2.gz ICRGCXMCMUTPDI-YRXWBPOGSA-N 2 1 361.486 0.753 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CN1 ZINC001246348082 1259652831 /nfs/dbraw/zinc/65/28/31/1259652831.db2.gz ICRGCXMCMUTPDI-YRXWBPOGSA-N 2 1 361.486 0.753 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246680746 1259659150 /nfs/dbraw/zinc/65/91/50/1259659150.db2.gz XRGMLQJYUCOHHW-GOSISDBHSA-N 3 1 364.534 0.820 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CN[C@@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682893 1259659865 /nfs/dbraw/zinc/65/98/65/1259659865.db2.gz OMXKWMKCGSYKDT-STEAMIEHSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@]12CN([C@@H]3C[NH2+][C@@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682893 1259659881 /nfs/dbraw/zinc/65/98/81/1259659881.db2.gz OMXKWMKCGSYKDT-STEAMIEHSA-N 2 1 367.490 0.535 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@]12CCN(c1cccnc1)C2=O ZINC001246705825 1259664313 /nfs/dbraw/zinc/66/43/13/1259664313.db2.gz YTJZPRRIPONFEG-JXXFODFXSA-N 2 1 355.486 0.850 20 0 FCADMP c1cncc(N2CCC[C@@]3(C2)C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709149 1259665584 /nfs/dbraw/zinc/66/55/84/1259665584.db2.gz SDVYSRVBGUIOGA-YLJYHZDGSA-N 2 1 357.502 0.847 20 0 FCADMP O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709475 1259666596 /nfs/dbraw/zinc/66/65/96/1259666596.db2.gz OQJXROFBDHWOEU-MBOZVWFJSA-N 2 1 371.485 0.595 20 0 FCADMP O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246708085 1259667085 /nfs/dbraw/zinc/66/70/85/1259667085.db2.gz PHGZMNARHUCAFI-DZJNRPSUSA-N 2 1 362.518 0.619 20 0 FCADMP CO[C@@H]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001246721555 1259668405 /nfs/dbraw/zinc/66/84/05/1259668405.db2.gz QPAOZXYXQPLACJ-IYWMVGAKSA-N 2 1 371.529 0.697 20 0 FCADMP Cc1ccc(N2CCO[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)nn1 ZINC001246723600 1259668524 /nfs/dbraw/zinc/66/85/24/1259668524.db2.gz KQNFHYDPSLRIDN-FGTMMUONSA-N 2 1 372.517 0.406 20 0 FCADMP c1ncn2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1cccnc1)C2 ZINC001246718643 1259668619 /nfs/dbraw/zinc/66/86/19/1259668619.db2.gz JMYZSSQYMHOHGD-IAGOWNOFSA-N 2 1 368.485 0.883 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739522 1259674247 /nfs/dbraw/zinc/67/42/47/1259674247.db2.gz KFKFFMNBPZOMJC-XEIOYGOASA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739522 1259674255 /nfs/dbraw/zinc/67/42/55/1259674255.db2.gz KFKFFMNBPZOMJC-XEIOYGOASA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739518 1259675905 /nfs/dbraw/zinc/67/59/05/1259675905.db2.gz KFKFFMNBPZOMJC-NBZXXOOGSA-N 2 1 359.474 0.684 20 0 FCADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739518 1259675914 /nfs/dbraw/zinc/67/59/14/1259675914.db2.gz KFKFFMNBPZOMJC-NBZXXOOGSA-N 2 1 359.474 0.684 20 0 FCADMP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246745603 1259677179 /nfs/dbraw/zinc/67/71/79/1259677179.db2.gz GBPHPURHPFGKPY-FQEVSTJZSA-N 2 1 373.501 0.847 20 0 FCADMP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246745603 1259677188 /nfs/dbraw/zinc/67/71/88/1259677188.db2.gz GBPHPURHPFGKPY-FQEVSTJZSA-N 2 1 373.501 0.847 20 0 FCADMP Cc1cccc(CN2C[C@@H]3C[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@@H]3C2=O)c1 ZINC001246750569 1259680439 /nfs/dbraw/zinc/68/04/39/1259680439.db2.gz ZCYAZHHRDAKLNO-FHWLQOOXSA-N 2 1 354.498 0.979 20 0 FCADMP c1cncc(COC[C@]23COC[C@H]2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246763918 1259684022 /nfs/dbraw/zinc/68/40/22/1259684022.db2.gz CSRPWHVQIGGRFN-CEXWTWQISA-N 2 1 358.486 0.641 20 0 FCADMP COC(=O)[C@@H]1C[C@@H](N2CCCn3cnc(COCC[NH+](C)C)c3C2)C[NH2+]1 ZINC001246769623 1259685646 /nfs/dbraw/zinc/68/56/46/1259685646.db2.gz WYJAQKVICKRHQY-CABCVRRESA-N 2 1 365.478 0.071 20 0 FCADMP COc1ccc([C@H]2C[C@H]([NH+]3CCNCC[NH2+]CCNCC3)CCO2)cc1 ZINC001246819551 1259690863 /nfs/dbraw/zinc/69/08/63/1259690863.db2.gz GUCFTJGCYBDZPJ-UYAOXDASSA-N 2 1 362.518 1.000 20 0 FCADMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815475 1259690918 /nfs/dbraw/zinc/69/09/18/1259690918.db2.gz ZDCGQFVFNSUQLJ-VAMGGRTRSA-N 3 1 371.529 0.698 20 0 FCADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815475 1259690924 /nfs/dbraw/zinc/69/09/24/1259690924.db2.gz ZDCGQFVFNSUQLJ-VAMGGRTRSA-N 3 1 371.529 0.698 20 0 FCADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815475 1259690930 /nfs/dbraw/zinc/69/09/30/1259690930.db2.gz ZDCGQFVFNSUQLJ-VAMGGRTRSA-N 3 1 371.529 0.698 20 0 FCADMP c1cncc(CN2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815475 1259690936 /nfs/dbraw/zinc/69/09/36/1259690936.db2.gz ZDCGQFVFNSUQLJ-VAMGGRTRSA-N 2 1 371.529 0.698 20 0 FCADMP c1cncc(CN2CCO[C@@H]3C[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC[C@@H]3C2)c1 ZINC001246815475 1259690950 /nfs/dbraw/zinc/69/09/50/1259690950.db2.gz ZDCGQFVFNSUQLJ-VAMGGRTRSA-N 2 1 371.529 0.698 20 0 FCADMP COC(=O)[C@@H]1C[C@H](n2cc(C(=O)N3CC[NH2+]CC3)c3ccccc32)C[NH2+]1 ZINC001246800566 1259691043 /nfs/dbraw/zinc/69/10/43/1259691043.db2.gz FJFNLKQYUGMSFV-BBRMVZONSA-N 2 1 356.426 0.763 20 0 FCADMP O=C1[C@@H]2CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001246846560 1259691835 /nfs/dbraw/zinc/69/18/35/1259691835.db2.gz BKTWTCBDZDHIOW-KSZLIROESA-N 2 1 368.481 0.730 20 0 FCADMP COCCCN1CCC([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246857440 1259693529 /nfs/dbraw/zinc/69/35/29/1259693529.db2.gz HJICBEQPZWZWPG-QEEHTWDDSA-N 2 1 365.518 0.818 20 0 FCADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246857440 1259693539 /nfs/dbraw/zinc/69/35/39/1259693539.db2.gz HJICBEQPZWZWPG-QEEHTWDDSA-N 3 1 365.518 0.818 20 0 FCADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001246857440 1259693549 /nfs/dbraw/zinc/69/35/49/1259693549.db2.gz HJICBEQPZWZWPG-QEEHTWDDSA-N 3 1 365.518 0.818 20 0 FCADMP Cc1cc(C)nc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001248958317 1259719884 /nfs/dbraw/zinc/71/98/84/1259719884.db2.gz ZRSQYWUHRKKHGX-UHFFFAOYSA-N 2 1 374.533 0.764 20 0 FCADMP Cc1cc(C)nc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001248958317 1259719893 /nfs/dbraw/zinc/71/98/93/1259719893.db2.gz ZRSQYWUHRKKHGX-UHFFFAOYSA-N 2 1 374.533 0.764 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC001251048009 1259735745 /nfs/dbraw/zinc/73/57/45/1259735745.db2.gz AFBXRTDXVBJQSL-SLFFLAALSA-N 2 1 363.502 0.559 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC001251048009 1259735752 /nfs/dbraw/zinc/73/57/52/1259735752.db2.gz AFBXRTDXVBJQSL-SLFFLAALSA-N 2 1 363.502 0.559 20 0 FCADMP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001335608330 1259740828 /nfs/dbraw/zinc/74/08/28/1259740828.db2.gz ZLRBWKTUGCORLK-IRXDYDNUSA-N 2 1 359.474 0.896 20 0 FCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](CC4(O)CCOCC4)C3)O2)CC1 ZINC001252961481 1259815829 /nfs/dbraw/zinc/81/58/29/1259815829.db2.gz QMESMMIZIQNHKK-UYAOXDASSA-N 2 1 367.534 0.789 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](CC4(O)CCOCC4)C3)O2)CC1 ZINC001252961481 1259815834 /nfs/dbraw/zinc/81/58/34/1259815834.db2.gz QMESMMIZIQNHKK-UYAOXDASSA-N 2 1 367.534 0.789 20 0 FCADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](CC4(O)CCOCC4)C3)O2)CC1 ZINC001252961481 1259815838 /nfs/dbraw/zinc/81/58/38/1259815838.db2.gz QMESMMIZIQNHKK-UYAOXDASSA-N 2 1 367.534 0.789 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001253037931 1259818490 /nfs/dbraw/zinc/81/84/90/1259818490.db2.gz HRTAIUXIFIHOPK-LJQANCHMSA-N 2 1 365.518 0.794 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001253186095 1259828520 /nfs/dbraw/zinc/82/85/20/1259828520.db2.gz WLHRGOBXXKXJQX-IRXDYDNUSA-N 2 1 370.538 0.831 20 0 FCADMP Cn1cc(N2CC[C@@]3(CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C3)C2=O)cn1 ZINC001253391369 1259837962 /nfs/dbraw/zinc/83/79/62/1259837962.db2.gz KGJNRQLGSOGHDC-VQIMIIECSA-N 2 1 363.506 0.988 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255898637 1259928078 /nfs/dbraw/zinc/92/80/78/1259928078.db2.gz XBQRODPGSQUVIS-STQMWFEESA-N 2 1 371.482 0.780 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)n2)CC1 ZINC001256131065 1259935284 /nfs/dbraw/zinc/93/52/84/1259935284.db2.gz JWZRVTOOULTBRN-UHFFFAOYSA-N 2 1 360.462 0.466 20 0 FCADMP O=C(NC[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001336241106 1260055668 /nfs/dbraw/zinc/05/56/68/1260055668.db2.gz QBMNPGLWITWHOV-ROUUACIJSA-N 2 1 367.538 0.614 20 0 FCADMP O=C(N1CCOCC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001336277970 1260065231 /nfs/dbraw/zinc/06/52/31/1260065231.db2.gz UQRCTYJBBXGJLQ-INIZCTEOSA-N 2 1 352.479 0.215 20 0 FCADMP O=C(C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)N1CC[NH2+]CC1 ZINC001261492632 1260149636 /nfs/dbraw/zinc/14/96/36/1260149636.db2.gz NWMWKOVLUPDURF-UHFFFAOYSA-N 2 1 356.470 0.975 20 0 FCADMP O=C(C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)N1CC[NH2+]CC1 ZINC001261492632 1260149639 /nfs/dbraw/zinc/14/96/39/1260149639.db2.gz NWMWKOVLUPDURF-UHFFFAOYSA-N 2 1 356.470 0.975 20 0 FCADMP C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H]1CC[NH3+] ZINC001336819697 1260230197 /nfs/dbraw/zinc/23/01/97/1260230197.db2.gz FQYRNWLZYZLKRI-ZBFHGGJFSA-N 2 1 353.511 0.698 20 0 FCADMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cn1 ZINC001336833274 1260234100 /nfs/dbraw/zinc/23/41/00/1260234100.db2.gz GNPOJVXIEKWVCZ-ZDUSSCGKSA-N 2 1 371.279 0.620 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001262067199 1260254834 /nfs/dbraw/zinc/25/48/34/1260254834.db2.gz VGQFQKFHRSUTGL-VDHUWJSZSA-N 2 1 358.486 0.867 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(CN4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001336944245 1260263651 /nfs/dbraw/zinc/26/36/51/1260263651.db2.gz VGBCWUBACIYAAK-MOPGFXCFSA-N 2 1 357.502 0.937 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001336959087 1260267571 /nfs/dbraw/zinc/26/75/71/1260267571.db2.gz FEJADWZRJWWXAO-LSDHHAIUSA-N 2 1 354.495 0.290 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063180 1260298772 /nfs/dbraw/zinc/29/87/72/1260298772.db2.gz YYQYHZLXDMWBLW-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@@H]1OC ZINC001262579899 1260329182 /nfs/dbraw/zinc/32/91/82/1260329182.db2.gz CNXBUBODRIOZKK-ILOCAZANSA-N 2 1 366.506 0.789 20 0 FCADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001262599448 1260330937 /nfs/dbraw/zinc/33/09/37/1260330937.db2.gz YOCMTKDBNRERLF-QGPMSJSTSA-N 2 1 357.458 0.217 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756092 1260355775 /nfs/dbraw/zinc/35/57/75/1260355775.db2.gz FDFRRJNQXBCTKO-OXQOHEQNSA-N 2 1 372.513 0.648 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001263943994 1260358716 /nfs/dbraw/zinc/35/87/16/1260358716.db2.gz LXMHFAIXMCQPFU-XOKHGSTOSA-N 2 1 360.462 0.544 20 0 FCADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)c1nnnn1C ZINC001264558523 1260380590 /nfs/dbraw/zinc/38/05/90/1260380590.db2.gz RZTUKAJDIDQLMQ-KFWWJZLASA-N 2 1 363.510 0.830 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001338011682 1260535893 /nfs/dbraw/zinc/53/58/93/1260535893.db2.gz OLLDZJSVNJGOCH-ZIFCJYIRSA-N 2 1 365.522 0.367 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001273272234 1260643484 /nfs/dbraw/zinc/64/34/84/1260643484.db2.gz FSMMCSGFVXBRNI-DOTOQJQBSA-N 2 1 362.518 0.729 20 0 FCADMP CC(=O)N1CCC[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181391 1260685855 /nfs/dbraw/zinc/68/58/55/1260685855.db2.gz DXOZTGVHFLUNGV-GBESFXJTSA-N 2 1 364.534 0.977 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181391 1260685860 /nfs/dbraw/zinc/68/58/60/1260685860.db2.gz DXOZTGVHFLUNGV-GBESFXJTSA-N 2 1 364.534 0.977 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181391 1260685863 /nfs/dbraw/zinc/68/58/63/1260685863.db2.gz DXOZTGVHFLUNGV-GBESFXJTSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4CCOCC4)CC3)[C@@H]2C1 ZINC001278464180 1260694422 /nfs/dbraw/zinc/69/44/22/1260694422.db2.gz IOEICLLBYLMOSP-QZTJIDSGSA-N 2 1 364.534 0.487 20 0 FCADMP COCCn1cc(C[N@H+]2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)cn1 ZINC001278712853 1260720415 /nfs/dbraw/zinc/72/04/15/1260720415.db2.gz OJCQXGJDQRBGNH-IBGZPJMESA-N 2 1 365.522 0.758 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC001279466568 1260874682 /nfs/dbraw/zinc/87/46/82/1260874682.db2.gz ADGDELIDCMAKMD-ULQDDVLXSA-N 2 1 367.490 0.298 20 0 FCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001332251945 1266367119 /nfs/dbraw/zinc/36/71/19/1266367119.db2.gz GGSGTTFQIBLWPM-YJBOKZPZSA-N 2 1 358.486 0.665 20 0 FCADMP C[NH+](C)CCN1CCN(C[C@H]2CCC[N@@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501457 1260881617 /nfs/dbraw/zinc/88/16/17/1260881617.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 2 1 365.566 0.546 20 0 FCADMP Cn1ncnc1C(=O)N[C@@]12CC[C@@]([NH2+]Cc3c[nH+]ccc3N)(C1)CCC2 ZINC001279616644 1260900301 /nfs/dbraw/zinc/90/03/01/1260900301.db2.gz NTZGOBOUFKVBTQ-MSOLQXFVSA-N 2 1 355.446 0.988 20 0 FCADMP CCOC(=O)CC[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280091658 1260999241 /nfs/dbraw/zinc/99/92/41/1260999241.db2.gz XTIAXVKCCRSAMJ-OIISXLGYSA-N 2 1 367.490 0.629 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001280255144 1261041950 /nfs/dbraw/zinc/04/19/50/1261041950.db2.gz FBGXTBCERNQJGV-MPGHIAIKSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280255144 1261041953 /nfs/dbraw/zinc/04/19/53/1261041953.db2.gz FBGXTBCERNQJGV-MPGHIAIKSA-N 2 1 361.494 0.983 20 0 FCADMP Cn1nnnc1NC(=O)[C@@H]1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280255144 1261041957 /nfs/dbraw/zinc/04/19/57/1261041957.db2.gz FBGXTBCERNQJGV-MPGHIAIKSA-N 2 1 361.494 0.983 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001282296757 1261406441 /nfs/dbraw/zinc/40/64/41/1261406441.db2.gz NSTWSUPMOGWCHG-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001282296757 1261406443 /nfs/dbraw/zinc/40/64/43/1261406443.db2.gz NSTWSUPMOGWCHG-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001282296757 1261406444 /nfs/dbraw/zinc/40/64/44/1261406444.db2.gz NSTWSUPMOGWCHG-SJORKVTESA-N 2 1 361.490 0.840 20 0 FCADMP CCOC(=O)[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001332519490 1266421763 /nfs/dbraw/zinc/42/17/63/1266421763.db2.gz HTRZBXBEUJIELV-GOSISDBHSA-N 2 1 374.485 0.168 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C[NH+]1CCOCC1 ZINC001345166704 1261643956 /nfs/dbraw/zinc/64/39/56/1261643956.db2.gz ANSCWXCTQNLBMG-MRXNPFEDSA-N 2 1 366.506 0.063 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC001345469647 1261715342 /nfs/dbraw/zinc/71/53/42/1261715342.db2.gz JDVMYGQCHXFOMH-GOSISDBHSA-N 2 1 374.485 0.215 20 0 FCADMP CC(C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285327758 1261831386 /nfs/dbraw/zinc/83/13/86/1261831386.db2.gz TYBWAVAOOXOEAO-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285327758 1261831389 /nfs/dbraw/zinc/83/13/89/1261831389.db2.gz TYBWAVAOOXOEAO-BRWVUGGUSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)Cc2cncn2C)C(C)(C)C)CC[N@H+]1C ZINC001288221093 1262012694 /nfs/dbraw/zinc/01/26/94/1262012694.db2.gz GPDBVJLPZRLRAU-FVQBIDKESA-N 2 1 363.506 0.950 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580320920 1278121618 /nfs/dbraw/zinc/12/16/18/1278121618.db2.gz NYLJHFYOOWESSL-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+](CCC)C2)C[C@@H]1O ZINC001289696804 1262312412 /nfs/dbraw/zinc/31/24/12/1262312412.db2.gz UQSZRMZTBBDOLU-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@@H]1O ZINC001289696804 1262312417 /nfs/dbraw/zinc/31/24/17/1262312417.db2.gz UQSZRMZTBBDOLU-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@@H]1O ZINC001289696804 1262312423 /nfs/dbraw/zinc/31/24/23/1262312423.db2.gz UQSZRMZTBBDOLU-BBWFWOEESA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332543 1262922898 /nfs/dbraw/zinc/92/28/98/1262922898.db2.gz PPEBKZINAHYFBL-NXOAAHMSSA-N 2 1 366.481 0.574 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332543 1262922903 /nfs/dbraw/zinc/92/29/03/1262922903.db2.gz PPEBKZINAHYFBL-NXOAAHMSSA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332543 1262922912 /nfs/dbraw/zinc/92/29/12/1262922912.db2.gz PPEBKZINAHYFBL-NXOAAHMSSA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332543 1262922920 /nfs/dbraw/zinc/92/29/20/1262922920.db2.gz PPEBKZINAHYFBL-NXOAAHMSSA-N 2 1 366.481 0.574 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580373715 1278182908 /nfs/dbraw/zinc/18/29/08/1278182908.db2.gz YKRWSGDFVILUTE-OCCSQVGLSA-N 2 1 370.461 0.687 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001580376792 1278188852 /nfs/dbraw/zinc/18/88/52/1278188852.db2.gz JTGUOKLGOHMKKY-YPMHNXCESA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001479506750 1263233493 /nfs/dbraw/zinc/23/34/93/1263233493.db2.gz NMXQEOYFLGLRNP-HYVNUMGLSA-N 2 1 365.522 0.663 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001316706035 1263430936 /nfs/dbraw/zinc/43/09/36/1263430936.db2.gz LDUBQWVJMDHTRL-SJORKVTESA-N 2 1 368.522 0.404 20 0 FCADMP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001483770169 1263444836 /nfs/dbraw/zinc/44/48/36/1263444836.db2.gz KPLZOOHVOYWBNT-MSOLQXFVSA-N 2 1 368.485 0.899 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)CC1 ZINC001316756667 1263461700 /nfs/dbraw/zinc/46/17/00/1263461700.db2.gz YITLSJSCYHVKDU-SJORKVTESA-N 2 1 362.518 0.635 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCc1cccnc1 ZINC001317478284 1263513588 /nfs/dbraw/zinc/51/35/88/1263513588.db2.gz FGZJULHTUZKETP-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCc1cccnc1 ZINC001317478284 1263513600 /nfs/dbraw/zinc/51/36/00/1263513600.db2.gz FGZJULHTUZKETP-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NCc1cccnc1 ZINC001317478284 1263513610 /nfs/dbraw/zinc/51/36/10/1263513610.db2.gz FGZJULHTUZKETP-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NCc1cccnc1 ZINC001317478284 1263513617 /nfs/dbraw/zinc/51/36/17/1263513617.db2.gz FGZJULHTUZKETP-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580385601 1278205422 /nfs/dbraw/zinc/20/54/22/1278205422.db2.gz PWHDOQOFUQYUTQ-VNQPRFMTSA-N 2 1 369.473 0.897 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318662285 1263597442 /nfs/dbraw/zinc/59/74/42/1263597442.db2.gz RYAHRUNMUISPBR-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318662285 1263597454 /nfs/dbraw/zinc/59/74/54/1263597454.db2.gz RYAHRUNMUISPBR-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318662285 1263597460 /nfs/dbraw/zinc/59/74/60/1263597460.db2.gz RYAHRUNMUISPBR-IAGOWNOFSA-N 2 1 365.522 0.809 20 0 FCADMP CC(C)N1CC[C@H]([N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372660 1263719303 /nfs/dbraw/zinc/71/93/03/1263719303.db2.gz OWXFCGGJRVHJML-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372660 1263719313 /nfs/dbraw/zinc/71/93/13/1263719313.db2.gz OWXFCGGJRVHJML-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@H]([NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372660 1263719325 /nfs/dbraw/zinc/71/93/25/1263719325.db2.gz OWXFCGGJRVHJML-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)N1CC[C@H]([NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1=O ZINC001493372660 1263719332 /nfs/dbraw/zinc/71/93/32/1263719332.db2.gz OWXFCGGJRVHJML-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001319932504 1263744285 /nfs/dbraw/zinc/74/42/85/1263744285.db2.gz OIUIFTAHLHDBAI-UHFFFAOYSA-N 2 1 372.429 0.169 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)n2)CC1 ZINC001321082127 1263903314 /nfs/dbraw/zinc/90/33/14/1263903314.db2.gz YAXSXHFBLLMWCZ-HOCLYGCPSA-N 2 1 374.489 0.831 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001321526628 1263983882 /nfs/dbraw/zinc/98/38/82/1263983882.db2.gz ZZRWQEXGXVQVEJ-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001321526628 1263983889 /nfs/dbraw/zinc/98/38/89/1263983889.db2.gz ZZRWQEXGXVQVEJ-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001321526628 1263983896 /nfs/dbraw/zinc/98/38/96/1263983896.db2.gz ZZRWQEXGXVQVEJ-DLBZAZTESA-N 2 1 367.538 0.119 20 0 FCADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001498818905 1263990768 /nfs/dbraw/zinc/99/07/68/1263990768.db2.gz IIVLBSZOZUNBJC-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001498818905 1263990772 /nfs/dbraw/zinc/99/07/72/1263990772.db2.gz IIVLBSZOZUNBJC-DJIMGWMZSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001322314920 1264181837 /nfs/dbraw/zinc/18/18/37/1264181837.db2.gz KQVPVCJYLKAQSH-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001322314920 1264181839 /nfs/dbraw/zinc/18/18/39/1264181839.db2.gz KQVPVCJYLKAQSH-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001322688906 1264242900 /nfs/dbraw/zinc/24/29/00/1264242900.db2.gz RGASESAVHXDASR-SJORKVTESA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)c3cc(C[NH+](C)C)on3)CC2)CC[N@@H+]1C ZINC001506123237 1264294993 /nfs/dbraw/zinc/29/49/93/1264294993.db2.gz HGESWLRYOSJAPO-TZMCWYRMSA-N 2 1 363.462 0.455 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)c3cc(C[NH+](C)C)on3)CC2)CC[N@H+]1C ZINC001506123237 1264294998 /nfs/dbraw/zinc/29/49/98/1264294998.db2.gz HGESWLRYOSJAPO-TZMCWYRMSA-N 2 1 363.462 0.455 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001512827920 1264678638 /nfs/dbraw/zinc/67/86/38/1264678638.db2.gz GPHHBQUKKIXRBW-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001512827920 1264678650 /nfs/dbraw/zinc/67/86/50/1264678650.db2.gz GPHHBQUKKIXRBW-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001512827920 1264678660 /nfs/dbraw/zinc/67/86/60/1264678660.db2.gz GPHHBQUKKIXRBW-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001512827920 1264678668 /nfs/dbraw/zinc/67/86/68/1264678668.db2.gz GPHHBQUKKIXRBW-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC001324862285 1264719486 /nfs/dbraw/zinc/71/94/86/1264719486.db2.gz GZEAEFJMWMTOIU-QGZVFWFLSA-N 2 1 371.485 0.735 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC001324862285 1264719499 /nfs/dbraw/zinc/71/94/99/1264719499.db2.gz GZEAEFJMWMTOIU-QGZVFWFLSA-N 2 1 371.485 0.735 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001580402930 1278235281 /nfs/dbraw/zinc/23/52/81/1278235281.db2.gz WGIZEWZJHWUDES-CZUORRHYSA-N 2 1 357.462 0.945 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4c(nnn4C)C3)CC2)CC1 ZINC001327126170 1265239193 /nfs/dbraw/zinc/23/91/93/1265239193.db2.gz CNKWBSSIAOOAJY-INIZCTEOSA-N 2 1 374.533 0.985 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)C[C@H]21 ZINC001514019728 1265316171 /nfs/dbraw/zinc/31/61/71/1265316171.db2.gz IIRXJSUVLWTOKV-BFYDXBDKSA-N 2 1 361.490 0.989 20 0 FCADMP CNC(=O)NC1CCN([C@H](C)CC[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC001327739936 1265409696 /nfs/dbraw/zinc/40/96/96/1265409696.db2.gz IRPNVZUWYMVAIN-CQSZACIVSA-N 2 1 368.526 0.552 20 0 FCADMP CNC(=O)NC1CC[NH+](CC[C@@H](C)[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC001327739936 1265409701 /nfs/dbraw/zinc/40/97/01/1265409701.db2.gz IRPNVZUWYMVAIN-CQSZACIVSA-N 2 1 368.526 0.552 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001332572771 1266432673 /nfs/dbraw/zinc/43/26/73/1266432673.db2.gz JHDQOVRXEPXASQ-KSZLIROESA-N 2 1 365.522 0.176 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCc4[nH]cnc4C34CC[NH2+]CC4)cc2C[NH2+]1 ZINC001522460049 1266559887 /nfs/dbraw/zinc/55/98/87/1266559887.db2.gz MVZZKLXDYRVSMZ-GFCCVEGCSA-N 2 1 355.446 0.375 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCc4nc[nH]c4C34CC[NH2+]CC4)cc2C[NH2+]1 ZINC001522460049 1266559897 /nfs/dbraw/zinc/55/98/97/1266559897.db2.gz MVZZKLXDYRVSMZ-GFCCVEGCSA-N 2 1 355.446 0.375 20 0 FCADMP CCN(C(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1CC[NH2+]C1 ZINC001333391405 1266590280 /nfs/dbraw/zinc/59/02/80/1266590280.db2.gz GPHPXGAJIBNRRC-INIZCTEOSA-N 2 1 374.489 0.389 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001524176368 1266690311 /nfs/dbraw/zinc/69/03/11/1266690311.db2.gz MITKNJLEXFKKEG-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001529321373 1267052930 /nfs/dbraw/zinc/05/29/30/1267052930.db2.gz CNEKZAJOBGUTHZ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001529321373 1267052941 /nfs/dbraw/zinc/05/29/41/1267052941.db2.gz CNEKZAJOBGUTHZ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001529321373 1267052952 /nfs/dbraw/zinc/05/29/52/1267052952.db2.gz CNEKZAJOBGUTHZ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC001542656304 1267503363 /nfs/dbraw/zinc/50/33/63/1267503363.db2.gz ZFYVNFIUVHXKAL-QGZVFWFLSA-N 2 1 359.474 0.698 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001544912195 1267597724 /nfs/dbraw/zinc/59/77/24/1267597724.db2.gz RPIPQYHKLMBIJS-QGZVFWFLSA-N 2 1 368.441 0.822 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001544912195 1267597727 /nfs/dbraw/zinc/59/77/27/1267597727.db2.gz RPIPQYHKLMBIJS-QGZVFWFLSA-N 2 1 368.441 0.822 20 0 FCADMP O=C(N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC001549214237 1267858136 /nfs/dbraw/zinc/85/81/36/1267858136.db2.gz KRBZABMVRASDQE-MJBXVCDLSA-N 2 1 358.433 0.926 20 0 FCADMP O=C(N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC001549299049 1267896245 /nfs/dbraw/zinc/89/62/45/1267896245.db2.gz VFQOKBVTDKXBBQ-DLBZAZTESA-N 2 1 373.501 0.721 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001549336788 1267902350 /nfs/dbraw/zinc/90/23/50/1267902350.db2.gz BFEAHSJILRTJOF-MRXNPFEDSA-N 2 1 368.522 0.585 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@@H]2[NH3+])c1 ZINC001549733509 1267981614 /nfs/dbraw/zinc/98/16/14/1267981614.db2.gz AUXOMNIMRJWGPM-KSZLIROESA-N 2 1 368.485 0.980 20 0 FCADMP [NH3+]C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CCOCC1 ZINC001549751093 1267987577 /nfs/dbraw/zinc/98/75/77/1267987577.db2.gz MTMWRYFXTMZLQD-YESZJQIVSA-N 2 1 351.491 0.748 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC001549762480 1267996380 /nfs/dbraw/zinc/99/63/80/1267996380.db2.gz MKOBHJFUZOZFKJ-YESZJQIVSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC001549762480 1267996387 /nfs/dbraw/zinc/99/63/87/1267996387.db2.gz MKOBHJFUZOZFKJ-YESZJQIVSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001549762480 1267996391 /nfs/dbraw/zinc/99/63/91/1267996391.db2.gz MKOBHJFUZOZFKJ-YESZJQIVSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001549762480 1267996399 /nfs/dbraw/zinc/99/63/99/1267996399.db2.gz MKOBHJFUZOZFKJ-YESZJQIVSA-N 2 1 361.490 0.733 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC001550005348 1268044212 /nfs/dbraw/zinc/04/42/12/1268044212.db2.gz NPPWGJWDQUPHQQ-IXDOHACOSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC001550005348 1268044218 /nfs/dbraw/zinc/04/42/18/1268044218.db2.gz NPPWGJWDQUPHQQ-IXDOHACOSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001550005348 1268044232 /nfs/dbraw/zinc/04/42/32/1268044232.db2.gz NPPWGJWDQUPHQQ-IXDOHACOSA-N 2 1 361.490 0.950 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001550005348 1268044246 /nfs/dbraw/zinc/04/42/46/1268044246.db2.gz NPPWGJWDQUPHQQ-IXDOHACOSA-N 2 1 361.490 0.950 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCCCC[NH2+]3)CC2)CC1 ZINC001338767720 1268081930 /nfs/dbraw/zinc/08/19/30/1268081930.db2.gz XYMBWDMQCDKKLC-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP CO[C@@H]1CC[N@H+](Cc2cn(C)nc2C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550366231 1268108319 /nfs/dbraw/zinc/10/83/19/1268108319.db2.gz ORSDWBYVCXIXKM-HLLBOEOZSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550366231 1268108323 /nfs/dbraw/zinc/10/83/23/1268108323.db2.gz ORSDWBYVCXIXKM-HLLBOEOZSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001550366231 1268108327 /nfs/dbraw/zinc/10/83/27/1268108327.db2.gz ORSDWBYVCXIXKM-HLLBOEOZSA-N 2 1 361.490 0.665 20 0 FCADMP CO[C@@H]1CC[NH+](Cc2cn(C)nc2C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C1 ZINC001550366231 1268108330 /nfs/dbraw/zinc/10/83/30/1268108330.db2.gz ORSDWBYVCXIXKM-HLLBOEOZSA-N 2 1 361.490 0.665 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](O)C2 ZINC001550478237 1268124323 /nfs/dbraw/zinc/12/43/23/1268124323.db2.gz MHWSUPYCDPQBCJ-DFEOGRTESA-N 2 1 363.506 0.654 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC001550477141 1268124442 /nfs/dbraw/zinc/12/44/42/1268124442.db2.gz NRQKRFHTQYJWIL-JPLJXNOCSA-N 2 1 365.518 0.693 20 0 FCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001550480801 1268125789 /nfs/dbraw/zinc/12/57/89/1268125789.db2.gz QKYGIZUMFCYDLL-OVWQWFNUSA-N 2 1 350.463 0.946 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001550480801 1268125792 /nfs/dbraw/zinc/12/57/92/1268125792.db2.gz QKYGIZUMFCYDLL-OVWQWFNUSA-N 2 1 350.463 0.946 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001550732969 1268157480 /nfs/dbraw/zinc/15/74/80/1268157480.db2.gz VZHRIULQKHFEJB-MAUKXSAKSA-N 2 1 352.479 0.309 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001550732968 1268157832 /nfs/dbraw/zinc/15/78/32/1268157832.db2.gz VZHRIULQKHFEJB-CRAIPNDOSA-N 2 1 352.479 0.309 20 0 FCADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001550732270 1268157868 /nfs/dbraw/zinc/15/78/68/1268157868.db2.gz RGXGXCYLVVDTQR-JKSUJKDBSA-N 2 1 354.495 0.685 20 0 FCADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H](C)O1 ZINC001550762520 1268164354 /nfs/dbraw/zinc/16/43/54/1268164354.db2.gz PQHSJYCRBBTOPM-BRWVUGGUSA-N 2 1 368.522 0.896 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC001551216134 1268213683 /nfs/dbraw/zinc/21/36/83/1268213683.db2.gz BOMFWWFRELKPOF-OTWHNJEPSA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001551216134 1268213688 /nfs/dbraw/zinc/21/36/88/1268213688.db2.gz BOMFWWFRELKPOF-OTWHNJEPSA-N 2 1 359.518 0.877 20 0 FCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001551216134 1268213694 /nfs/dbraw/zinc/21/36/94/1268213694.db2.gz BOMFWWFRELKPOF-OTWHNJEPSA-N 2 1 359.518 0.877 20 0 FCADMP CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@@H]3[NH2+]CC(=O)N[C@@H]3C2)CC1 ZINC001551470289 1268257763 /nfs/dbraw/zinc/25/77/63/1268257763.db2.gz HNFLBVFCMAZMFG-YJTLQXIOSA-N 2 1 363.506 0.655 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551551120 1268265349 /nfs/dbraw/zinc/26/53/49/1268265349.db2.gz CXRWCJRHZWQYAD-NLGTXKQRSA-N 2 1 365.522 0.936 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CC1 ZINC001551551513 1268265907 /nfs/dbraw/zinc/26/59/07/1268265907.db2.gz QGPLTPITWVKDCL-IACUBPJLSA-N 2 1 350.385 0.236 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560967 1268270609 /nfs/dbraw/zinc/27/06/09/1268270609.db2.gz IRJSCIYHMAFVQE-WDYCEAGBSA-N 2 1 363.506 0.370 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[C@@H]1C ZINC001551563817 1268272640 /nfs/dbraw/zinc/27/26/40/1268272640.db2.gz RZEOFCVSEPVVEP-KJGCVMFHSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576794 1268275390 /nfs/dbraw/zinc/27/53/90/1268275390.db2.gz RAUNJMAHTKFGQG-SFANZJOMSA-N 2 1 357.502 0.982 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576794 1268275398 /nfs/dbraw/zinc/27/53/98/1268275398.db2.gz RAUNJMAHTKFGQG-SFANZJOMSA-N 2 1 357.502 0.982 20 0 FCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576792 1268275626 /nfs/dbraw/zinc/27/56/26/1268275626.db2.gz RAUNJMAHTKFGQG-NNVNDSJASA-N 2 1 357.502 0.982 20 0 FCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576792 1268275632 /nfs/dbraw/zinc/27/56/32/1268275632.db2.gz RAUNJMAHTKFGQG-NNVNDSJASA-N 2 1 357.502 0.982 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551578211 1268276501 /nfs/dbraw/zinc/27/65/01/1268276501.db2.gz MKYMQPZVTMQOMD-KYJSFNMBSA-N 2 1 365.522 0.664 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC001551586041 1268279272 /nfs/dbraw/zinc/27/92/72/1268279272.db2.gz BLVAQCINONFBPG-BSXOQXRQSA-N 2 1 363.506 0.558 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551588773 1268279446 /nfs/dbraw/zinc/27/94/46/1268279446.db2.gz GJJMOOTUWMVDGE-BLBBIFAFSA-N 2 1 363.506 0.415 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585855 1268279847 /nfs/dbraw/zinc/27/98/47/1268279847.db2.gz BAODMCFSAVIWJG-JFIYKMOQSA-N 2 1 365.522 0.807 20 0 FCADMP CO[C@@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)[nH+]cn2)C1 ZINC001551942848 1268319980 /nfs/dbraw/zinc/31/99/80/1268319980.db2.gz YTCQIBSXJKNSCW-HUUCEWRRSA-N 2 1 374.489 0.645 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001552008867 1268350870 /nfs/dbraw/zinc/35/08/70/1268350870.db2.gz BQCQDRZYZQOQMT-BRWVUGGUSA-N 2 1 353.511 0.127 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC001552014674 1268351593 /nfs/dbraw/zinc/35/15/93/1268351593.db2.gz XNHWIBAEYUBUHQ-YLFCFFPRSA-N 2 1 354.495 0.600 20 0 FCADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001552014674 1268351606 /nfs/dbraw/zinc/35/16/06/1268351606.db2.gz XNHWIBAEYUBUHQ-YLFCFFPRSA-N 2 1 354.495 0.600 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C ZINC001552166975 1268398152 /nfs/dbraw/zinc/39/81/52/1268398152.db2.gz QBDCIPYYTIKXMC-NJAFHUGGSA-N 2 1 361.490 0.355 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC001552167463 1268400129 /nfs/dbraw/zinc/40/01/29/1268400129.db2.gz MUROSBFFFITUTQ-MNEFBYGVSA-N 2 1 374.533 0.316 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnn1C ZINC001552167463 1268400134 /nfs/dbraw/zinc/40/01/34/1268400134.db2.gz MUROSBFFFITUTQ-MNEFBYGVSA-N 2 1 374.533 0.316 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552200562 1268408133 /nfs/dbraw/zinc/40/81/33/1268408133.db2.gz QDQJEIYUVUECLT-UZLBHIALSA-N 2 1 372.469 0.178 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001552237872 1268418893 /nfs/dbraw/zinc/41/88/93/1268418893.db2.gz CEXPDMUVIVKDDA-ROUUACIJSA-N 2 1 358.486 0.564 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552299772 1268435902 /nfs/dbraw/zinc/43/59/02/1268435902.db2.gz XVXUXAYATRRDHW-HKUYNNGSSA-N 2 1 358.486 0.960 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552299772 1268435906 /nfs/dbraw/zinc/43/59/06/1268435906.db2.gz XVXUXAYATRRDHW-HKUYNNGSSA-N 2 1 358.486 0.960 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001340122016 1268443801 /nfs/dbraw/zinc/44/38/01/1268443801.db2.gz QLBDBFQDKDWRNA-ROUUACIJSA-N 2 1 358.486 0.787 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552353863 1268448411 /nfs/dbraw/zinc/44/84/11/1268448411.db2.gz ZMUGKPLMTXYBDP-DLBZAZTESA-N 2 1 366.506 0.555 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001340146808 1268449562 /nfs/dbraw/zinc/44/95/62/1268449562.db2.gz CLXFKPSRPDHZOD-OCCSQVGLSA-N 2 1 359.396 0.706 20 0 FCADMP C[C@@H]1Cn2nc(C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)cc2C[NH2+]1 ZINC001340178567 1268461056 /nfs/dbraw/zinc/46/10/56/1268461056.db2.gz BOQFDKYQQQVNQC-OAHLLOKOSA-N 2 1 360.506 0.474 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552605509 1268489338 /nfs/dbraw/zinc/48/93/38/1268489338.db2.gz WXRUHBUWXMEVSX-ZACQAIPSSA-N 2 1 363.510 0.753 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC001340347690 1268518508 /nfs/dbraw/zinc/51/85/08/1268518508.db2.gz BBBHWUXZZWBFRF-SFHVURJKSA-N 2 1 360.506 0.486 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)C1 ZINC001552690563 1268521427 /nfs/dbraw/zinc/52/14/27/1268521427.db2.gz GVIRGWSISLLHAJ-VYDXJSESSA-N 2 1 364.494 0.807 20 0 FCADMP O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001552686371 1268521675 /nfs/dbraw/zinc/52/16/75/1268521675.db2.gz SRPTVJPSFOATFS-OAHLLOKOSA-N 2 1 374.489 0.161 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552699380 1268524021 /nfs/dbraw/zinc/52/40/21/1268524021.db2.gz VIQNZJVJOWPHTF-HOCLYGCPSA-N 2 1 364.494 0.903 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1ccnn1 ZINC001552801995 1268551720 /nfs/dbraw/zinc/55/17/20/1268551720.db2.gz XBRQCNMCWNPPHD-VEDBGLOESA-N 2 1 361.494 0.790 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC001552957494 1268568920 /nfs/dbraw/zinc/56/89/20/1268568920.db2.gz JHNNDZSIESHBLP-QZTJIDSGSA-N 2 1 357.502 0.905 20 0 FCADMP CCCNC(=O)c1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553392073 1268642133 /nfs/dbraw/zinc/64/21/33/1268642133.db2.gz JTSIEXUWUJCEJV-FXAWDEMLSA-N 2 1 358.486 0.984 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)c2)CC1 ZINC001553404077 1268645355 /nfs/dbraw/zinc/64/53/55/1268645355.db2.gz ADCYOBIIYWCPGQ-SQNIBIBYSA-N 2 1 372.469 0.461 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001553404900 1268646000 /nfs/dbraw/zinc/64/60/00/1268646000.db2.gz BPMWWIQYSBKCJB-XFUTXVRSSA-N 2 1 359.470 0.912 20 0 FCADMP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001553404900 1268646005 /nfs/dbraw/zinc/64/60/05/1268646005.db2.gz BPMWWIQYSBKCJB-XFUTXVRSSA-N 2 1 359.470 0.912 20 0 FCADMP [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001553441942 1268650568 /nfs/dbraw/zinc/65/05/68/1268650568.db2.gz BZGQWEPWOSIVQW-JENIJYKNSA-N 2 1 366.506 0.637 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553448759 1268652136 /nfs/dbraw/zinc/65/21/36/1268652136.db2.gz CVVNRVAVFNMAEG-OKZBNKHCSA-N 2 1 365.522 0.034 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449591 1268652366 /nfs/dbraw/zinc/65/23/66/1268652366.db2.gz GQSYJAHYZJJDMA-WBVHZDCISA-N 2 1 365.522 0.304 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449591 1268652372 /nfs/dbraw/zinc/65/23/72/1268652372.db2.gz GQSYJAHYZJJDMA-WBVHZDCISA-N 2 1 365.522 0.304 20 0 FCADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC12CCOCC2 ZINC001553459764 1268654218 /nfs/dbraw/zinc/65/42/18/1268654218.db2.gz FHNVMDRMUUDZQK-IXDOHACOSA-N 2 1 366.506 0.779 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553455504 1268654602 /nfs/dbraw/zinc/65/46/02/1268654602.db2.gz YLSKMSZJFMTXDO-RCCFBDPRSA-N 2 1 365.522 0.176 20 0 FCADMP CCO[C@@H]1COC[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553491294 1268658031 /nfs/dbraw/zinc/65/80/31/1268658031.db2.gz UTVFTOGQMSEMCS-VVLHAWIVSA-N 2 1 352.479 0.401 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001553509940 1268661312 /nfs/dbraw/zinc/66/13/12/1268661312.db2.gz XGJZMXOHJNKEND-FPCVCCKLSA-N 2 1 354.495 0.633 20 0 FCADMP Nc1ncc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC001553539906 1268665643 /nfs/dbraw/zinc/66/56/43/1268665643.db2.gz GBADIXJJRJGOPN-BETUJISGSA-N 2 1 350.492 0.836 20 0 FCADMP C[C@H](Cc1nccn1C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553551386 1268668456 /nfs/dbraw/zinc/66/84/56/1268668456.db2.gz DBIXOXVFIYPYFB-OIISXLGYSA-N 2 1 360.506 0.961 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C[C@H]1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553553623 1268669619 /nfs/dbraw/zinc/66/96/19/1268669619.db2.gz VXUPBFXCMWTLAP-YYIAUSFCSA-N 3 1 353.486 0.687 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]C[C@H]1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001553553623 1268669624 /nfs/dbraw/zinc/66/96/24/1268669624.db2.gz VXUPBFXCMWTLAP-YYIAUSFCSA-N 2 1 353.486 0.687 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001340998757 1268739879 /nfs/dbraw/zinc/73/98/79/1268739879.db2.gz FLGUVLISXPLWNS-INIZCTEOSA-N 2 1 356.511 0.293 20 0 FCADMP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001341098428 1268783449 /nfs/dbraw/zinc/78/34/49/1268783449.db2.gz GAHYHTGZBHMBFU-AWEZNQCLSA-N 2 1 364.450 0.084 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001341389856 1268968626 /nfs/dbraw/zinc/96/86/26/1268968626.db2.gz XKVJHUBRJNHIBN-ZHALLVOQSA-N 2 1 355.523 0.501 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001566649401 1269654743 /nfs/dbraw/zinc/65/47/43/1269654743.db2.gz SFBWYAMDLANZIE-FGTMMUONSA-N 2 1 352.523 0.487 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001568482903 1269734974 /nfs/dbraw/zinc/73/49/74/1269734974.db2.gz AKXFLJLOKVGRBB-HUUCEWRRSA-N 2 1 365.526 0.701 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001568482903 1269734979 /nfs/dbraw/zinc/73/49/79/1269734979.db2.gz AKXFLJLOKVGRBB-HUUCEWRRSA-N 2 1 365.526 0.701 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001568482903 1269734982 /nfs/dbraw/zinc/73/49/82/1269734982.db2.gz AKXFLJLOKVGRBB-HUUCEWRRSA-N 2 1 365.526 0.701 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001343438385 1269909011 /nfs/dbraw/zinc/90/90/11/1269909011.db2.gz DSBGELOLVRTSKS-JKSUJKDBSA-N 2 1 362.474 0.890 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001344630765 1270212604 /nfs/dbraw/zinc/21/26/04/1270212604.db2.gz FVUDOZVZOKAXAZ-IBGZPJMESA-N 2 1 372.513 0.783 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001573069228 1270590262 /nfs/dbraw/zinc/59/02/62/1270590262.db2.gz ITPHWEAWAYJPGR-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]21 ZINC001573069228 1270590266 /nfs/dbraw/zinc/59/02/66/1270590266.db2.gz ITPHWEAWAYJPGR-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001573069228 1270590271 /nfs/dbraw/zinc/59/02/71/1270590271.db2.gz ITPHWEAWAYJPGR-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001573069228 1270590278 /nfs/dbraw/zinc/59/02/78/1270590278.db2.gz ITPHWEAWAYJPGR-BRWVUGGUSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574039147 1271022402 /nfs/dbraw/zinc/02/24/02/1271022402.db2.gz RFBVRMOPZUWROQ-IOASZLSFSA-N 2 1 372.477 0.577 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285241 1271159595 /nfs/dbraw/zinc/15/95/95/1271159595.db2.gz XTXALGYJBXUNEX-BBRMVZONSA-N 2 1 370.461 0.829 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574285241 1271159597 /nfs/dbraw/zinc/15/95/97/1271159597.db2.gz XTXALGYJBXUNEX-BBRMVZONSA-N 2 1 370.461 0.829 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574670883 1271471462 /nfs/dbraw/zinc/47/14/62/1271471462.db2.gz FYNJDPSOQKCBIE-GFCCVEGCSA-N 2 1 358.450 0.475 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001580654889 1278637953 /nfs/dbraw/zinc/63/79/53/1278637953.db2.gz PUDHYEAJLYIDRK-GJZGRUSLSA-N 2 1 350.467 0.169 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786634 1271520488 /nfs/dbraw/zinc/52/04/88/1271520488.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574786634 1271520493 /nfs/dbraw/zinc/52/04/93/1271520493.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574786634 1271520499 /nfs/dbraw/zinc/52/04/99/1271520499.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574803643 1271540240 /nfs/dbraw/zinc/54/02/40/1271540240.db2.gz FUIPIOHAPMJJPA-YNEHKIRRSA-N 2 1 358.450 0.543 20 0 FCADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574908562 1271672613 /nfs/dbraw/zinc/67/26/13/1271672613.db2.gz JHASYENFHTZDTR-OLZOCXBDSA-N 2 1 358.450 0.475 20 0 FCADMP CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@@]3(O)CC[NH2+]C3)C2)CC1 ZINC001575195715 1271780942 /nfs/dbraw/zinc/78/09/42/1271780942.db2.gz MMNWTLIHFUOLLO-MAUKXSAKSA-N 2 1 354.495 0.338 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001575365828 1272007537 /nfs/dbraw/zinc/00/75/37/1272007537.db2.gz GPRWKQJVZJFDLI-HUUCEWRRSA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001575365828 1272007540 /nfs/dbraw/zinc/00/75/40/1272007540.db2.gz GPRWKQJVZJFDLI-HUUCEWRRSA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC[NH3+] ZINC001575655067 1272265474 /nfs/dbraw/zinc/26/54/74/1272265474.db2.gz TWCRASZPRJIZEZ-CVEARBPZSA-N 2 1 350.511 0.982 20 0 FCADMP CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575681353 1272294827 /nfs/dbraw/zinc/29/48/27/1272294827.db2.gz DIAPZQXOYIYRQW-UONOGXRCSA-N 2 1 370.523 0.058 20 0 FCADMP C[C@H]([NH2+]CCc1c[nH]nn1)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001575688688 1272299754 /nfs/dbraw/zinc/29/97/54/1272299754.db2.gz BSPZSOVJZUWFDI-LSDHHAIUSA-N 2 1 374.493 0.246 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001575717771 1272366604 /nfs/dbraw/zinc/36/66/04/1272366604.db2.gz QQODIFZRTJFFEX-CQSZACIVSA-N 2 1 352.483 0.319 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001575717771 1272366616 /nfs/dbraw/zinc/36/66/16/1272366616.db2.gz QQODIFZRTJFFEX-CQSZACIVSA-N 2 1 352.483 0.319 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001575717771 1272366621 /nfs/dbraw/zinc/36/66/21/1272366621.db2.gz QQODIFZRTJFFEX-CQSZACIVSA-N 2 1 352.483 0.319 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575983161 1272644046 /nfs/dbraw/zinc/64/40/46/1272644046.db2.gz NCJZNGPDJSFWLM-OLZOCXBDSA-N 2 1 358.450 0.687 20 0 FCADMP C[C@@H](CNC(=O)CCN1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001576016650 1272717988 /nfs/dbraw/zinc/71/79/88/1272717988.db2.gz ZAIKHHAIJKNQPR-SFHVURJKSA-N 2 1 359.518 0.609 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001576058798 1272794861 /nfs/dbraw/zinc/79/48/61/1272794861.db2.gz PTFLTXOSFGPOPG-HUUCEWRRSA-N 2 1 364.494 0.427 20 0 FCADMP C[C@@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2)[C@@H](c1ccccc1)[NH+](C)C ZINC001576221864 1272993777 /nfs/dbraw/zinc/99/37/77/1272993777.db2.gz UQTLMOGHGXTGEE-NYCLONFESA-N 2 1 365.499 0.428 20 0 FCADMP CC1(C)C[N@H+](CCn2c([C@H]3CCCO3)nnc2N2CC[C@@H]([NH3+])C2)CCO1 ZINC001576457270 1273288346 /nfs/dbraw/zinc/28/83/46/1273288346.db2.gz AMCLPEKBHWBRPU-HUUCEWRRSA-N 2 1 364.494 0.778 20 0 FCADMP CC1(C)C[N@@H+](CCn2c([C@H]3CCCO3)nnc2N2CC[C@@H]([NH3+])C2)CCO1 ZINC001576457270 1273288351 /nfs/dbraw/zinc/28/83/51/1273288351.db2.gz AMCLPEKBHWBRPU-HUUCEWRRSA-N 2 1 364.494 0.778 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001576486566 1273336159 /nfs/dbraw/zinc/33/61/59/1273336159.db2.gz XOEVFQARPKDYDD-JKSUJKDBSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486566 1273336162 /nfs/dbraw/zinc/33/61/62/1273336162.db2.gz XOEVFQARPKDYDD-JKSUJKDBSA-N 2 1 350.467 0.039 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001576486566 1273336164 /nfs/dbraw/zinc/33/61/64/1273336164.db2.gz XOEVFQARPKDYDD-JKSUJKDBSA-N 2 1 350.467 0.039 20 0 FCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001576500288 1273363973 /nfs/dbraw/zinc/36/39/73/1273363973.db2.gz XMJRRMIHDZXGRD-JKSUJKDBSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@]1([NH+]2CCOCC2)CCN(c2nnc([C@@H]3CCOC3)n2CCC[NH3+])C1 ZINC001576534518 1273421537 /nfs/dbraw/zinc/42/15/37/1273421537.db2.gz GFCOHEKXALEYDI-CRAIPNDOSA-N 2 1 364.494 0.432 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN2CCC([NH2+]Cc3cnn[nH]3)CC2)CC[N@H+]1C ZINC001576608463 1273477575 /nfs/dbraw/zinc/47/75/75/1273477575.db2.gz BYPROQJYNHPNFV-DLBZAZTESA-N 2 1 363.510 0.205 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576823233 1273746075 /nfs/dbraw/zinc/74/60/75/1273746075.db2.gz BFBSMBAZTBHIJS-CVEARBPZSA-N 2 1 371.489 0.859 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC001576823233 1273746078 /nfs/dbraw/zinc/74/60/78/1273746078.db2.gz BFBSMBAZTBHIJS-CVEARBPZSA-N 2 1 371.489 0.859 20 0 FCADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576824596 1273747524 /nfs/dbraw/zinc/74/75/24/1273747524.db2.gz SJAYMKNNXPGIDI-OLZOCXBDSA-N 2 1 358.450 0.332 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576841989 1273779173 /nfs/dbraw/zinc/77/91/73/1273779173.db2.gz QAIIVCAQHPDDPO-JHJVBQTASA-N 2 1 358.450 0.331 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[C@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576882689 1273862685 /nfs/dbraw/zinc/86/26/85/1273862685.db2.gz JAVFIJVPLDGFRT-YOEHRIQHSA-N 2 1 364.494 0.333 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001576995010 1274029348 /nfs/dbraw/zinc/02/93/48/1274029348.db2.gz HTSDZKDOXMQOTQ-BARDWOONSA-N 2 1 363.510 0.525 20 0 FCADMP CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001577507407 1274460213 /nfs/dbraw/zinc/46/02/13/1274460213.db2.gz SAZGDRRTHCJRCE-OAHLLOKOSA-N 2 1 363.510 0.783 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550365 1274488573 /nfs/dbraw/zinc/48/85/73/1274488573.db2.gz DVHUHJSXCVADMY-CHWSQXEVSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577550366 1274489290 /nfs/dbraw/zinc/48/92/90/1274489290.db2.gz DVHUHJSXCVADMY-OLZOCXBDSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577554207 1274497043 /nfs/dbraw/zinc/49/70/43/1274497043.db2.gz QOBUYDJNBLVKGL-OCCSQVGLSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577558193 1274500353 /nfs/dbraw/zinc/50/03/53/1274500353.db2.gz CTMUVSZPVDQFLV-ZIAGYGMSSA-N 2 1 372.477 0.865 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577561137 1274510381 /nfs/dbraw/zinc/51/03/81/1274510381.db2.gz QXQGWNOUEPDVTI-CYBMUJFWSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577568348 1274527030 /nfs/dbraw/zinc/52/70/30/1274527030.db2.gz PBEKWYBYKVUOFS-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577568348 1274527036 /nfs/dbraw/zinc/52/70/36/1274527036.db2.gz PBEKWYBYKVUOFS-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001577568348 1274527041 /nfs/dbraw/zinc/52/70/41/1274527041.db2.gz PBEKWYBYKVUOFS-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577598565 1274566250 /nfs/dbraw/zinc/56/62/50/1274566250.db2.gz TUVZHMGDDPQZPQ-CYBMUJFWSA-N 2 1 358.450 0.546 20 0 FCADMP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577598565 1274566252 /nfs/dbraw/zinc/56/62/52/1274566252.db2.gz TUVZHMGDDPQZPQ-CYBMUJFWSA-N 2 1 358.450 0.546 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577665201 1274682734 /nfs/dbraw/zinc/68/27/34/1274682734.db2.gz NHPJXTFTBBYFDZ-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673292 1274708272 /nfs/dbraw/zinc/70/82/72/1274708272.db2.gz JDKDDQKBPVJIMK-CJNGLKHVSA-N 2 1 370.461 0.831 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673292 1274708278 /nfs/dbraw/zinc/70/82/78/1274708278.db2.gz JDKDDQKBPVJIMK-CJNGLKHVSA-N 2 1 370.461 0.831 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673294 1274708485 /nfs/dbraw/zinc/70/84/85/1274708485.db2.gz JDKDDQKBPVJIMK-CZUORRHYSA-N 2 1 370.461 0.831 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577673294 1274708490 /nfs/dbraw/zinc/70/84/90/1274708490.db2.gz JDKDDQKBPVJIMK-CZUORRHYSA-N 2 1 370.461 0.831 20 0 FCADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC001577731419 1274805954 /nfs/dbraw/zinc/80/59/54/1274805954.db2.gz PTNQBOKJFJJWAI-GJZGRUSLSA-N 2 1 365.526 0.930 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([NH2+]C)C2)C1 ZINC001577764074 1274848008 /nfs/dbraw/zinc/84/80/08/1274848008.db2.gz PROXFBFFJQBKEQ-LSDHHAIUSA-N 2 1 356.478 0.875 20 0 FCADMP CC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC001577763612 1274848857 /nfs/dbraw/zinc/84/88/57/1274848857.db2.gz FYRBXLKTNNLPMI-OFQRWUPVSA-N 2 1 358.494 0.804 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3OCC[C@H]3[NH3+])cc2)CC1 ZINC001577775554 1274865622 /nfs/dbraw/zinc/86/56/22/1274865622.db2.gz KYMCTORXBWMXFH-AEFFLSMTSA-N 2 1 360.458 0.448 20 0 FCADMP CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC001577781344 1274876263 /nfs/dbraw/zinc/87/62/63/1274876263.db2.gz MTDJHVKHQGJKOT-HOCLYGCPSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH2+]C)C[C@H]1C ZINC001577782085 1274876950 /nfs/dbraw/zinc/87/69/50/1274876950.db2.gz UNQLWOBATJBAOX-OAHLLOKOSA-N 2 1 363.510 0.540 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2Cc2cnnn2C)C[C@H]1C ZINC001577780759 1274877099 /nfs/dbraw/zinc/87/70/99/1274877099.db2.gz FHYCSVAXDFJQDH-MCIONIFRSA-N 2 1 359.482 0.190 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577849066 1274982958 /nfs/dbraw/zinc/98/29/58/1274982958.db2.gz BISBMBPLNCFNHZ-UHFFFAOYSA-N 2 1 374.493 0.922 20 0 FCADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001577849063 1274984312 /nfs/dbraw/zinc/98/43/12/1274984312.db2.gz BFDZKUKKIQPLPS-UHFFFAOYSA-N 2 1 363.441 0.896 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852566 1274997415 /nfs/dbraw/zinc/99/74/15/1274997415.db2.gz USERMDIVQCNWLD-MLGOLLRUSA-N 2 1 372.477 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577855556 1275005407 /nfs/dbraw/zinc/00/54/07/1275005407.db2.gz JDMFINZSAXMZRR-UHFFFAOYSA-N 2 1 372.477 0.951 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577860490 1275023598 /nfs/dbraw/zinc/02/35/98/1275023598.db2.gz XQGIUEGZPZMJIE-STQMWFEESA-N 2 1 360.466 0.721 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577862725 1275030233 /nfs/dbraw/zinc/03/02/33/1275030233.db2.gz JIHSDOBJIXXBBY-UONOGXRCSA-N 2 1 372.477 0.865 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577866736 1275048120 /nfs/dbraw/zinc/04/81/20/1275048120.db2.gz KPNLXTGCXDYQQF-XMQYKBBCSA-N 2 1 370.461 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577871907 1275060861 /nfs/dbraw/zinc/06/08/61/1275060861.db2.gz RNNYGXSZIISOIA-HALDLXJZSA-N 2 1 370.461 0.463 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952497 1275174497 /nfs/dbraw/zinc/17/44/97/1275174497.db2.gz NLCCKBXMOBBPOV-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952497 1275174502 /nfs/dbraw/zinc/17/45/02/1275174502.db2.gz NLCCKBXMOBBPOV-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1-c1nn[nH]n1 ZINC001577952497 1275174514 /nfs/dbraw/zinc/17/45/14/1275174514.db2.gz NLCCKBXMOBBPOV-MRXNPFEDSA-N 2 1 373.461 0.135 20 0 FCADMP CCN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001578107254 1275410131 /nfs/dbraw/zinc/41/01/31/1275410131.db2.gz KQEKGNKMHLLURA-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578220870 1275519891 /nfs/dbraw/zinc/51/98/91/1275519891.db2.gz BHOBMWRHENMQOZ-IUODEOHRSA-N 2 1 358.450 0.475 20 0 FCADMP CCc1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001578311162 1275648592 /nfs/dbraw/zinc/64/85/92/1275648592.db2.gz DGGQZOVISHQYNZ-SJORKVTESA-N 2 1 363.554 0.899 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578448895 1275844133 /nfs/dbraw/zinc/84/41/33/1275844133.db2.gz MGTMGSDWJFWUCA-HEHGZKQESA-N 2 1 372.477 0.639 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578526000 1275960083 /nfs/dbraw/zinc/96/00/83/1275960083.db2.gz WPZXJOJIQJKNMX-QFBILLFUSA-N 2 1 371.489 0.116 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)NCC3([NH3+])CCOCC3)s2)CC1 ZINC001578536362 1275965234 /nfs/dbraw/zinc/96/52/34/1275965234.db2.gz NPALVMIHXVMTGE-UHFFFAOYSA-N 2 1 352.504 0.733 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001578654516 1276105407 /nfs/dbraw/zinc/10/54/07/1276105407.db2.gz RKDLVUFJHQUWCB-IRXDYDNUSA-N 2 1 353.511 0.034 20 0 FCADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578664024 1276115068 /nfs/dbraw/zinc/11/50/68/1276115068.db2.gz LBXBRTWYGTUJJE-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001578730991 1276207280 /nfs/dbraw/zinc/20/72/80/1276207280.db2.gz GIPZRZNPPKFDGN-OWCLPIDISA-N 2 1 364.494 0.506 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](CCOCC[NH3+])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001578796622 1276285145 /nfs/dbraw/zinc/28/51/45/1276285145.db2.gz KOXACINXBMOURE-CYBMUJFWSA-N 2 1 357.451 0.304 20 0 FCADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578878602 1276406873 /nfs/dbraw/zinc/40/68/73/1276406873.db2.gz SAEOKXYJNTUCFC-INIZCTEOSA-N 2 1 369.473 0.995 20 0 FCADMP COC[C@H](CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)OC ZINC001578960933 1276504895 /nfs/dbraw/zinc/50/48/95/1276504895.db2.gz QHUWTNBFJIZNKJ-BBWFWOEESA-N 2 1 354.495 0.648 20 0 FCADMP COC[C@]1(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]CCO1 ZINC001578975862 1276526579 /nfs/dbraw/zinc/52/65/79/1276526579.db2.gz WSJAFOCIWGKOFA-YJBOKZPZSA-N 2 1 351.447 0.928 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001578976372 1276528193 /nfs/dbraw/zinc/52/81/93/1276528193.db2.gz XBYAKBVRFOLNJG-CALCHBBNSA-N 2 1 369.473 0.709 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578976805 1276529762 /nfs/dbraw/zinc/52/97/62/1276529762.db2.gz FXOXOOGIXQWTNF-HIFRSBDPSA-N 2 1 370.461 0.641 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578978092 1276535586 /nfs/dbraw/zinc/53/55/86/1276535586.db2.gz DTBYRXIPVQGNKE-CQSZACIVSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001578978092 1276535590 /nfs/dbraw/zinc/53/55/90/1276535590.db2.gz DTBYRXIPVQGNKE-CQSZACIVSA-N 2 1 361.425 0.648 20 0 FCADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001578980170 1276540104 /nfs/dbraw/zinc/54/01/04/1276540104.db2.gz CDPFVCHASFUEHI-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](C)CCC(=O)NCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001578981569 1276543783 /nfs/dbraw/zinc/54/37/83/1276543783.db2.gz ZUKVXTHMVGJOEB-UHFFFAOYSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579009886 1276582310 /nfs/dbraw/zinc/58/23/10/1276582310.db2.gz YJJYXMDOVYXOND-BETUJISGSA-N 2 1 372.477 0.721 20 0 FCADMP COCC[N@@H+](C)CCn1c(CC2CC2)nnc1N(C)C1CC[NH2+]CC1 ZINC001579022090 1276598985 /nfs/dbraw/zinc/59/89/85/1276598985.db2.gz RPBNCKKYXPMOOI-UHFFFAOYSA-N 2 1 350.511 0.997 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3[NH2+]2)C[C@H]1C ZINC001579038274 1276623666 /nfs/dbraw/zinc/62/36/66/1276623666.db2.gz FKYNUIVKJFBYBD-MXASKKJJSA-N 2 1 364.494 0.120 20 0 FCADMP COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2C[NH2+]C2)C[C@@H]1C ZINC001579039610 1276627289 /nfs/dbraw/zinc/62/72/89/1276627289.db2.gz WJZWKLADQMVQOQ-AWEZNQCLSA-N 2 1 372.477 0.111 20 0 FCADMP COC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001579083270 1276711377 /nfs/dbraw/zinc/71/13/77/1276711377.db2.gz PJVTZMGIXVDZTR-IRXDYDNUSA-N 2 1 350.463 0.875 20 0 FCADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579179600 1276941615 /nfs/dbraw/zinc/94/16/15/1276941615.db2.gz DDFODOYLVIWVBQ-UHFFFAOYSA-N 2 1 361.425 0.650 20 0 FCADMP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC001579194685 1276970532 /nfs/dbraw/zinc/97/05/32/1276970532.db2.gz ODVNGRQXTFUMSR-HZPDHXFCSA-N 2 1 357.476 0.206 20 0 FCADMP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001579214434 1277008874 /nfs/dbraw/zinc/00/88/74/1277008874.db2.gz CMTODHVUMVQWPY-BBRMVZONSA-N 2 1 370.461 0.571 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001579282501 1277100960 /nfs/dbraw/zinc/10/09/60/1277100960.db2.gz YCNPMGKDLBVOIK-ZDUSSCGKSA-N 2 1 368.445 0.395 20 0 FCADMP CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579325281 1277143389 /nfs/dbraw/zinc/14/33/89/1277143389.db2.gz GYNOKLLFYGSRJY-ZIAGYGMSSA-N 2 1 370.461 0.498 20 0 FCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323926 1277143719 /nfs/dbraw/zinc/14/37/19/1277143719.db2.gz ZFNXDABZIJFIGY-STQMWFEESA-N 2 1 356.434 0.251 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579323926 1277143726 /nfs/dbraw/zinc/14/37/26/1277143726.db2.gz ZFNXDABZIJFIGY-STQMWFEESA-N 2 1 356.434 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326009 1277148979 /nfs/dbraw/zinc/14/89/79/1277148979.db2.gz HNTVXXMNYVFKPN-IRXDYDNUSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326010 1277150062 /nfs/dbraw/zinc/15/00/62/1277150062.db2.gz HNTVXXMNYVFKPN-SJORKVTESA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579327002 1277153222 /nfs/dbraw/zinc/15/32/22/1277153222.db2.gz NWHUBEQEGKDTIC-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579327297 1277154902 /nfs/dbraw/zinc/15/49/02/1277154902.db2.gz ZFRSGFSNWPMUIO-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579327297 1277154903 /nfs/dbraw/zinc/15/49/03/1277154903.db2.gz ZFRSGFSNWPMUIO-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579327297 1277154905 /nfs/dbraw/zinc/15/49/05/1277154905.db2.gz ZFRSGFSNWPMUIO-JKSUJKDBSA-N 2 1 369.473 0.851 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328807 1277157676 /nfs/dbraw/zinc/15/76/76/1277157676.db2.gz KBSKGYICBJXBBX-INIZCTEOSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328807 1277157677 /nfs/dbraw/zinc/15/76/77/1277157677.db2.gz KBSKGYICBJXBBX-INIZCTEOSA-N 2 1 369.473 0.853 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328807 1277157678 /nfs/dbraw/zinc/15/76/78/1277157678.db2.gz KBSKGYICBJXBBX-INIZCTEOSA-N 2 1 369.473 0.853 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579328600 1277157881 /nfs/dbraw/zinc/15/78/81/1277157881.db2.gz FOPGTMQUTZVDMQ-HEHGZKQESA-N 2 1 368.445 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001579328600 1277157883 /nfs/dbraw/zinc/15/78/83/1277157883.db2.gz FOPGTMQUTZVDMQ-HEHGZKQESA-N 2 1 368.445 0.251 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579331518 1277162068 /nfs/dbraw/zinc/16/20/68/1277162068.db2.gz FGKQUXAICLOXGE-HNNXBMFYSA-N 2 1 355.446 0.557 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333190 1277166258 /nfs/dbraw/zinc/16/62/58/1277166258.db2.gz OTQLCWRINTWVIA-SWLSCSKDSA-N 2 1 372.477 0.578 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334174 1277170256 /nfs/dbraw/zinc/17/02/56/1277170256.db2.gz UWSWUCXHNGKALH-HIFRSBDPSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334174 1277170259 /nfs/dbraw/zinc/17/02/59/1277170259.db2.gz UWSWUCXHNGKALH-HIFRSBDPSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334174 1277170263 /nfs/dbraw/zinc/17/02/63/1277170263.db2.gz UWSWUCXHNGKALH-HIFRSBDPSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001579334174 1277170266 /nfs/dbraw/zinc/17/02/66/1277170266.db2.gz UWSWUCXHNGKALH-HIFRSBDPSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336169 1277179224 /nfs/dbraw/zinc/17/92/24/1277179224.db2.gz ZNGOPNWZGJTNFP-STQMWFEESA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336169 1277179226 /nfs/dbraw/zinc/17/92/26/1277179226.db2.gz ZNGOPNWZGJTNFP-STQMWFEESA-N 2 1 356.434 0.298 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336167 1277179386 /nfs/dbraw/zinc/17/93/86/1277179386.db2.gz ZNGOPNWZGJTNFP-QWHCGFSZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336167 1277179389 /nfs/dbraw/zinc/17/93/89/1277179389.db2.gz ZNGOPNWZGJTNFP-QWHCGFSZSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579338726 1277181193 /nfs/dbraw/zinc/18/11/93/1277181193.db2.gz UYIDADWKWFBPIA-DAXOMENPSA-N 2 1 370.461 0.475 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579340955 1277187202 /nfs/dbraw/zinc/18/72/02/1277187202.db2.gz DIJSJPJCMAMFRT-KBPBESRZSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579341876 1277190459 /nfs/dbraw/zinc/19/04/59/1277190459.db2.gz XJMKGMGENBDKJG-UONOGXRCSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342626 1277190483 /nfs/dbraw/zinc/19/04/83/1277190483.db2.gz APSJQQCZJDXNBX-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342626 1277190484 /nfs/dbraw/zinc/19/04/84/1277190484.db2.gz APSJQQCZJDXNBX-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579342626 1277190486 /nfs/dbraw/zinc/19/04/86/1277190486.db2.gz APSJQQCZJDXNBX-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579342751 1277192885 /nfs/dbraw/zinc/19/28/85/1277192885.db2.gz CROIJAXHOLKTSZ-ZDUSSCGKSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579347883 1277201467 /nfs/dbraw/zinc/20/14/67/1277201467.db2.gz NTMFOIHODGOJKA-AVGNSLFASA-N 2 1 356.434 0.085 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352918 1277209514 /nfs/dbraw/zinc/20/95/14/1277209514.db2.gz BCZHJOHXEBZLPJ-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352918 1277209516 /nfs/dbraw/zinc/20/95/16/1277209516.db2.gz BCZHJOHXEBZLPJ-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579352918 1277209517 /nfs/dbraw/zinc/20/95/17/1277209517.db2.gz BCZHJOHXEBZLPJ-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355589 1277220491 /nfs/dbraw/zinc/22/04/91/1277220491.db2.gz FPCAXHAGICCLJV-BDVYOWHSSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579358430 1277227358 /nfs/dbraw/zinc/22/73/58/1277227358.db2.gz DLGYQPOGILMODC-HNNXBMFYSA-N 2 1 355.446 0.699 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362123 1277239163 /nfs/dbraw/zinc/23/91/63/1277239163.db2.gz QEHRHHDPQHNOFV-COMQUAJESA-N 2 1 373.486 0.569 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362123 1277239168 /nfs/dbraw/zinc/23/91/68/1277239168.db2.gz QEHRHHDPQHNOFV-COMQUAJESA-N 2 1 373.486 0.569 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001579362123 1277239173 /nfs/dbraw/zinc/23/91/73/1277239173.db2.gz QEHRHHDPQHNOFV-COMQUAJESA-N 2 1 373.486 0.569 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579363162 1277241312 /nfs/dbraw/zinc/24/13/12/1277241312.db2.gz WMKRRXDAWYMWCT-HYVNUMGLSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579375332 1277256506 /nfs/dbraw/zinc/25/65/06/1277256506.db2.gz VPFRXFMDBUYEGL-XJKCOSOUSA-N 2 1 373.436 0.837 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001579406749 1277288987 /nfs/dbraw/zinc/28/89/87/1277288987.db2.gz PSRWSDHUDBULRG-RVKKMQEKSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC001579430364 1277296484 /nfs/dbraw/zinc/29/64/84/1277296484.db2.gz WHOGUZMILOUHSP-HUUCEWRRSA-N 2 1 354.495 0.982 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@@H](C)C[NH3+])o1 ZINC001579652904 1277721420 /nfs/dbraw/zinc/72/14/20/1277721420.db2.gz ITOKELGDFYPCSG-ZFWWWQNUSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@@H](C)C[NH3+])o1 ZINC001579652904 1277721427 /nfs/dbraw/zinc/72/14/27/1277721427.db2.gz ITOKELGDFYPCSG-ZFWWWQNUSA-N 2 1 360.462 0.962 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001579883189 1277948872 /nfs/dbraw/zinc/94/88/72/1277948872.db2.gz KZFADGIAPXFTEQ-ILXRZTDVSA-N 2 1 354.476 0.063 20 0 FCADMP Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579883344 1277949059 /nfs/dbraw/zinc/94/90/59/1277949059.db2.gz PYBABEDZTJRAIN-OAHLLOKOSA-N 2 1 374.493 0.939 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001579883494 1277949104 /nfs/dbraw/zinc/94/91/04/1277949104.db2.gz VDYASDWRXNDRMD-GJZGRUSLSA-N 2 1 372.477 0.609 20 0 FCADMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC001580027555 1277994146 /nfs/dbraw/zinc/99/41/46/1277994146.db2.gz DNSNVYPBOARALL-SWLSCSKDSA-N 2 1 373.461 0.564 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580277358 1278073265 /nfs/dbraw/zinc/07/32/65/1278073265.db2.gz XLBJDTQAAFWBFH-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C)[NH+](C)C ZINC001603201223 1287327985 /nfs/dbraw/zinc/32/79/85/1287327985.db2.gz XEXLSDVZXHJDQN-INWMFGNUSA-N 2 1 372.477 0.931 20 0 FCADMP Cc1cc(N(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580943415 1279150898 /nfs/dbraw/zinc/15/08/98/1279150898.db2.gz GQHXLTUFENFBPZ-BFHYXJOUSA-N 2 1 372.477 0.851 20 0 FCADMP Cc1cc(N2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580954880 1279158582 /nfs/dbraw/zinc/15/85/82/1279158582.db2.gz BZEPQSZNRUEWHV-KBPBESRZSA-N 2 1 370.461 0.559 20 0 FCADMP Cc1cc(N[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991793 1279195997 /nfs/dbraw/zinc/19/59/97/1279195997.db2.gz WGVGVFAFQOFMOF-OLZOCXBDSA-N 2 1 358.450 0.203 20 0 FCADMP Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013655 1279240285 /nfs/dbraw/zinc/24/02/85/1279240285.db2.gz UVPIAIPLFBKRRP-GXTWGEPZSA-N 2 1 372.477 0.593 20 0 FCADMP Cc1cc(NCC2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581018955 1279249441 /nfs/dbraw/zinc/24/94/41/1279249441.db2.gz HWAMPWQRCGTNHR-SEEARECTSA-N 2 1 370.461 0.393 20 0 FCADMP Cc1cc(NCC2CC(NC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581019560 1279249830 /nfs/dbraw/zinc/24/98/30/1279249830.db2.gz AUHNWYHPYBOPFT-UHFFFAOYSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581029909 1279266852 /nfs/dbraw/zinc/26/68/52/1279266852.db2.gz DKTPFSUHMTWBEI-KGLIPLIRSA-N 2 1 372.477 0.783 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C2CCCCC2)CC[N@H+]1C ZINC001715587262 1287356310 /nfs/dbraw/zinc/35/63/10/1287356310.db2.gz SYFOAOHLDBDOQN-HYVNUMGLSA-N 2 1 368.522 0.184 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581339579 1279721343 /nfs/dbraw/zinc/72/13/43/1279721343.db2.gz HZPSHHINUKBJGY-ZDUSSCGKSA-N 2 1 368.445 0.914 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581565484 1280145805 /nfs/dbraw/zinc/14/58/05/1280145805.db2.gz UFQVVDPGQOVWCF-LBPRGKRZSA-N 2 1 354.418 0.666 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)C[NH+]1CCCC1 ZINC001603528914 1287405969 /nfs/dbraw/zinc/40/59/69/1287405969.db2.gz UJOHAPFJWJEVRQ-SUMWQHHRSA-N 2 1 369.473 0.902 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717318922 1287417846 /nfs/dbraw/zinc/41/78/46/1287417846.db2.gz OPSUWUCGEWATAM-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582097682 1281052008 /nfs/dbraw/zinc/05/20/08/1281052008.db2.gz KGIBPQDMMLBFBL-UHFFFAOYSA-N 2 1 369.473 0.997 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001604197533 1287585363 /nfs/dbraw/zinc/58/53/63/1287585363.db2.gz JLOPMKJLRCVBCJ-AWEZNQCLSA-N 2 1 372.477 0.949 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCCO1 ZINC001718943041 1287597409 /nfs/dbraw/zinc/59/74/09/1287597409.db2.gz BBJSXOSZIJFBER-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001718943041 1287597415 /nfs/dbraw/zinc/59/74/15/1287597415.db2.gz BBJSXOSZIJFBER-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001718943041 1287597422 /nfs/dbraw/zinc/59/74/22/1287597422.db2.gz BBJSXOSZIJFBER-BRWVUGGUSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)C[C@@H]1C[NH3+] ZINC001590190695 1283294359 /nfs/dbraw/zinc/29/43/59/1283294359.db2.gz NIZCEMBQTZJPNM-LMMLAZSQSA-N 2 1 369.473 0.885 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001682302543 1283559975 /nfs/dbraw/zinc/55/99/75/1283559975.db2.gz IKXOUNCXBHSUHA-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001682302543 1283559985 /nfs/dbraw/zinc/55/99/85/1283559985.db2.gz IKXOUNCXBHSUHA-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001719072572 1287656519 /nfs/dbraw/zinc/65/65/19/1287656519.db2.gz NRDBGHNUEROGJR-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001719072572 1287656526 /nfs/dbraw/zinc/65/65/26/1287656526.db2.gz NRDBGHNUEROGJR-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001719072572 1287656533 /nfs/dbraw/zinc/65/65/33/1287656533.db2.gz NRDBGHNUEROGJR-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590737556 1283778418 /nfs/dbraw/zinc/77/84/18/1283778418.db2.gz ZXWQMJZMCXMRPN-INIZCTEOSA-N 2 1 373.461 0.183 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001590737556 1283778423 /nfs/dbraw/zinc/77/84/23/1283778423.db2.gz ZXWQMJZMCXMRPN-INIZCTEOSA-N 2 1 373.461 0.183 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591010893 1284070269 /nfs/dbraw/zinc/07/02/69/1284070269.db2.gz MYMLKGCXNMRPHT-DOTOQJQBSA-N 2 1 369.473 0.996 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071154 1284131474 /nfs/dbraw/zinc/13/14/74/1284131474.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071154 1284131480 /nfs/dbraw/zinc/13/14/80/1284131480.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591071154 1284131484 /nfs/dbraw/zinc/13/14/84/1284131484.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 2 1 357.462 0.757 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)[N@@H+]1C ZINC001684022789 1284140595 /nfs/dbraw/zinc/14/05/95/1284140595.db2.gz UPTZYALGRUSAKM-OKILXGFUSA-N 2 1 360.524 0.229 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)N1C ZINC001684022789 1284140599 /nfs/dbraw/zinc/14/05/99/1284140599.db2.gz UPTZYALGRUSAKM-OKILXGFUSA-N 2 1 360.524 0.229 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591075126 1284142136 /nfs/dbraw/zinc/14/21/36/1284142136.db2.gz YLASFSGKIJEIFZ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591075126 1284142140 /nfs/dbraw/zinc/14/21/40/1284142140.db2.gz YLASFSGKIJEIFZ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591075126 1284142145 /nfs/dbraw/zinc/14/21/45/1284142145.db2.gz YLASFSGKIJEIFZ-MRXNPFEDSA-N 2 1 357.462 0.899 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001591175230 1284261154 /nfs/dbraw/zinc/26/11/54/1284261154.db2.gz JZXVQCICLGJHDL-CQSZACIVSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001591175230 1284261162 /nfs/dbraw/zinc/26/11/62/1284261162.db2.gz JZXVQCICLGJHDL-CQSZACIVSA-N 2 1 373.436 0.506 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591174704 1284263303 /nfs/dbraw/zinc/26/33/03/1284263303.db2.gz AFEYSIVBFQDMPI-KBPBESRZSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001591175595 1284264867 /nfs/dbraw/zinc/26/48/67/1284264867.db2.gz QDSJZTOIMLZXSU-STQMWFEESA-N 2 1 356.434 0.156 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001591177824 1284275966 /nfs/dbraw/zinc/27/59/66/1284275966.db2.gz OCKXSVSVXILIBI-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001591177824 1284275971 /nfs/dbraw/zinc/27/59/71/1284275971.db2.gz OCKXSVSVXILIBI-KGLIPLIRSA-N 2 1 370.461 0.641 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196011 1284316899 /nfs/dbraw/zinc/31/68/99/1284316899.db2.gz ZVKLCBUJMGQMSW-OWCLPIDISA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196011 1284316906 /nfs/dbraw/zinc/31/69/06/1284316906.db2.gz ZVKLCBUJMGQMSW-OWCLPIDISA-N 2 1 358.446 0.490 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001591196011 1284316915 /nfs/dbraw/zinc/31/69/15/1284316915.db2.gz ZVKLCBUJMGQMSW-OWCLPIDISA-N 2 1 358.446 0.490 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001591760549 1284889855 /nfs/dbraw/zinc/88/98/55/1284889855.db2.gz WJNWKHCWMMRBJL-DOPJRALCSA-N 2 1 358.446 0.538 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001591760549 1284889860 /nfs/dbraw/zinc/88/98/60/1284889860.db2.gz WJNWKHCWMMRBJL-DOPJRALCSA-N 2 1 358.446 0.538 20 0 FCADMP Cc1cc(N2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592001566 1285053003 /nfs/dbraw/zinc/05/30/03/1285053003.db2.gz CHIMTUNUJTYFIY-HIFRSBDPSA-N 2 1 370.461 0.701 20 0 FCADMP Cc1cc(NCCCNC(=O)[C@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047582 1285091161 /nfs/dbraw/zinc/09/11/61/1285091161.db2.gz NYUXKNXGLVDBNW-OAHLLOKOSA-N 2 1 358.450 0.395 20 0 FCADMP Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592051738 1285096928 /nfs/dbraw/zinc/09/69/28/1285096928.db2.gz GZXSHFZMCZPXKV-MRXNPFEDSA-N 2 1 365.441 0.823 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592301860 1285223171 /nfs/dbraw/zinc/22/31/71/1285223171.db2.gz ZXWXOUMQSXJCJH-NSCUHMNNSA-N 2 1 366.429 0.834 20 0 FCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001604803885 1287786388 /nfs/dbraw/zinc/78/63/88/1287786388.db2.gz OSRDTQBQNZGULY-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001702419355 1285662472 /nfs/dbraw/zinc/66/24/72/1285662472.db2.gz OPJQLRUCVLMHLG-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001702419355 1285662486 /nfs/dbraw/zinc/66/24/86/1285662486.db2.gz OPJQLRUCVLMHLG-IAGOWNOFSA-N 2 1 366.506 0.110 20 0 FCADMP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001592786190 1285710784 /nfs/dbraw/zinc/71/07/84/1285710784.db2.gz DJSMQDHPJBZJLD-ZBFHGGJFSA-N 2 1 353.430 0.406 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037391 1285921634 /nfs/dbraw/zinc/92/16/34/1285921634.db2.gz DIQCOOXLQZKURD-WMLDXEAASA-N 2 1 369.473 0.947 20 0 FCADMP CC[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001707163538 1286485374 /nfs/dbraw/zinc/48/53/74/1286485374.db2.gz MMKODTQNAZQGPR-OWCLPIDISA-N 2 1 354.495 0.189 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001707166371 1286487755 /nfs/dbraw/zinc/48/77/55/1286487755.db2.gz WNCZJCKUMIUPFS-ILXRZTDVSA-N 2 1 369.510 0.389 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719133020 1287799519 /nfs/dbraw/zinc/79/95/19/1287799519.db2.gz DIZVQJYAFUPASH-GVDBMIGSSA-N 2 1 368.522 0.281 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001604860395 1287800774 /nfs/dbraw/zinc/80/07/74/1287800774.db2.gz KAGKJCKZWUSQAM-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001604860395 1287800776 /nfs/dbraw/zinc/80/07/76/1287800776.db2.gz KAGKJCKZWUSQAM-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC1(C)C ZINC001604862490 1287802189 /nfs/dbraw/zinc/80/21/89/1287802189.db2.gz JSNKJDKDUDZKSS-MRXNPFEDSA-N 2 1 369.473 0.996 20 0 FCADMP C[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC1(C)C ZINC001604862490 1287802192 /nfs/dbraw/zinc/80/21/92/1287802192.db2.gz JSNKJDKDUDZKSS-MRXNPFEDSA-N 2 1 369.473 0.996 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1O ZINC001719295645 1288056740 /nfs/dbraw/zinc/05/67/40/1288056740.db2.gz HVSUDUJVPWLVBT-SJORKVTESA-N 2 1 368.522 0.138 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001606437008 1288316474 /nfs/dbraw/zinc/31/64/74/1288316474.db2.gz LHOZDDYFOLMDEG-CJILZHRVSA-N 2 1 353.430 0.440 20 0 FCADMP [NH3+][C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001606436334 1288316935 /nfs/dbraw/zinc/31/69/35/1288316935.db2.gz YFEPCGQCGJUZAZ-IAGOWNOFSA-N 2 1 363.425 0.870 20 0 FCADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829857 1288430143 /nfs/dbraw/zinc/43/01/43/1288430143.db2.gz MYFRFKUJIQIBDI-CABCVRRESA-N 2 1 372.477 0.206 20 0 FCADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001723829857 1288430146 /nfs/dbraw/zinc/43/01/46/1288430146.db2.gz MYFRFKUJIQIBDI-CABCVRRESA-N 2 1 372.477 0.206 20 0 FCADMP Cc1nnc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001724977627 1288457766 /nfs/dbraw/zinc/45/77/66/1288457766.db2.gz SDNOIKLYSFAPEY-TZMCWYRMSA-N 2 1 351.451 0.161 20 0 FCADMP Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001724977627 1288457770 /nfs/dbraw/zinc/45/77/70/1288457770.db2.gz SDNOIKLYSFAPEY-TZMCWYRMSA-N 2 1 351.451 0.161 20 0 FCADMP Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001724977627 1288457775 /nfs/dbraw/zinc/45/77/75/1288457775.db2.gz SDNOIKLYSFAPEY-TZMCWYRMSA-N 2 1 351.451 0.161 20 0 FCADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001609172954 1288965292 /nfs/dbraw/zinc/96/52/92/1288965292.db2.gz HJRZODDPMLVJQZ-PBHICJAKSA-N 2 1 360.462 0.991 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1OC ZINC001735896210 1289005126 /nfs/dbraw/zinc/00/51/26/1289005126.db2.gz ALWXSUDXKIMCJA-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1OC ZINC001735896210 1289005135 /nfs/dbraw/zinc/00/51/35/1289005135.db2.gz ALWXSUDXKIMCJA-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1OC ZINC001735896210 1289005142 /nfs/dbraw/zinc/00/51/42/1289005142.db2.gz ALWXSUDXKIMCJA-BRWVUGGUSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC(=O)NC)C1 ZINC001691901884 1289337456 /nfs/dbraw/zinc/33/74/56/1289337456.db2.gz XRLPEHHVMNBJBC-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC(=O)NC)C1 ZINC001691901884 1289337464 /nfs/dbraw/zinc/33/74/64/1289337464.db2.gz XRLPEHHVMNBJBC-BRWVUGGUSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)C1 ZINC001691917699 1289342737 /nfs/dbraw/zinc/34/27/37/1289342737.db2.gz MLICHUUBCANMFF-HRCADAONSA-N 2 1 366.485 0.964 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691967471 1289353348 /nfs/dbraw/zinc/35/33/48/1289353348.db2.gz FOKJCVALLJLWHX-RCCFBDPRSA-N 2 1 363.506 0.825 20 0 FCADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691967471 1289353357 /nfs/dbraw/zinc/35/33/57/1289353357.db2.gz FOKJCVALLJLWHX-RCCFBDPRSA-N 2 1 363.506 0.825 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCCS(C)(=O)=O ZINC001691976492 1289355976 /nfs/dbraw/zinc/35/59/76/1289355976.db2.gz RORKBRPECKJAJG-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCCS(C)(=O)=O ZINC001691976492 1289355985 /nfs/dbraw/zinc/35/59/85/1289355985.db2.gz RORKBRPECKJAJG-YESZJQIVSA-N 2 1 371.547 0.732 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001692027676 1289371096 /nfs/dbraw/zinc/37/10/96/1289371096.db2.gz IKPFSSNHPGWWDP-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692084783 1289390528 /nfs/dbraw/zinc/39/05/28/1289390528.db2.gz LVDLJRLRDDBVNS-IKGGRYGDSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001692084783 1289390532 /nfs/dbraw/zinc/39/05/32/1289390532.db2.gz LVDLJRLRDDBVNS-IKGGRYGDSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001692084783 1289390537 /nfs/dbraw/zinc/39/05/37/1289390537.db2.gz LVDLJRLRDDBVNS-IKGGRYGDSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001692084784 1289393412 /nfs/dbraw/zinc/39/34/12/1289393412.db2.gz LVDLJRLRDDBVNS-ZACQAIPSSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001692084784 1289393416 /nfs/dbraw/zinc/39/34/16/1289393416.db2.gz LVDLJRLRDDBVNS-ZACQAIPSSA-N 2 1 365.522 0.426 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001692084784 1289393419 /nfs/dbraw/zinc/39/34/19/1289393419.db2.gz LVDLJRLRDDBVNS-ZACQAIPSSA-N 2 1 365.522 0.426 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001692176553 1289414698 /nfs/dbraw/zinc/41/46/98/1289414698.db2.gz PEARBCPZPSJMSR-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001692176553 1289414703 /nfs/dbraw/zinc/41/47/03/1289414703.db2.gz PEARBCPZPSJMSR-CVEARBPZSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001692196617 1289426513 /nfs/dbraw/zinc/42/65/13/1289426513.db2.gz JYMUPXHXMPVENU-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001692196617 1289426516 /nfs/dbraw/zinc/42/65/16/1289426516.db2.gz JYMUPXHXMPVENU-OAGGEKHMSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CCc1cnn(C)c1 ZINC001692216490 1289429953 /nfs/dbraw/zinc/42/99/53/1289429953.db2.gz DXGNMHNQASPJDP-QAPCUYQASA-N 2 1 363.506 0.652 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001692237024 1289434652 /nfs/dbraw/zinc/43/46/52/1289434652.db2.gz XJHDBZODQSHSBY-CABCVRRESA-N 2 1 367.494 0.287 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001692237024 1289434656 /nfs/dbraw/zinc/43/46/56/1289434656.db2.gz XJHDBZODQSHSBY-CABCVRRESA-N 2 1 367.494 0.287 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001692281275 1289441081 /nfs/dbraw/zinc/44/10/81/1289441081.db2.gz XWHYTGCRIRZZHR-ZACQAIPSSA-N 2 1 371.547 0.543 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286913 1289445586 /nfs/dbraw/zinc/44/55/86/1289445586.db2.gz VYQQJHDYXXPHHW-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286913 1289445592 /nfs/dbraw/zinc/44/55/92/1289445592.db2.gz VYQQJHDYXXPHHW-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001692286913 1289445595 /nfs/dbraw/zinc/44/55/95/1289445595.db2.gz VYQQJHDYXXPHHW-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001698960617 1289539924 /nfs/dbraw/zinc/53/99/24/1289539924.db2.gz IGDLOMVYONSYMN-UPJWGTAASA-N 2 1 366.428 0.736 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)CC[N@H+]1C ZINC001699257878 1289548305 /nfs/dbraw/zinc/54/83/05/1289548305.db2.gz FLBXKVNMZGEFQS-SQLJOLKNSA-N 2 1 358.446 0.125 20 0 FCADMP C[C@@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441354 1289554826 /nfs/dbraw/zinc/55/48/26/1289554826.db2.gz KRVUGDYKUBTYFC-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441354 1289554832 /nfs/dbraw/zinc/55/48/32/1289554832.db2.gz KRVUGDYKUBTYFC-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H](C[NH+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699441354 1289554834 /nfs/dbraw/zinc/55/48/34/1289554834.db2.gz KRVUGDYKUBTYFC-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H](C[NH+](C)CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699441354 1289554838 /nfs/dbraw/zinc/55/48/38/1289554838.db2.gz KRVUGDYKUBTYFC-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001699651121 1289560507 /nfs/dbraw/zinc/56/05/07/1289560507.db2.gz KYTZWQSOIKIGSH-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615851942 1289763052 /nfs/dbraw/zinc/76/30/52/1289763052.db2.gz ZJBFZQODYAQMCM-MAUKXSAKSA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001615851942 1289763060 /nfs/dbraw/zinc/76/30/60/1289763060.db2.gz ZJBFZQODYAQMCM-MAUKXSAKSA-N 2 1 350.511 0.999 20 0 FCADMP CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001615851942 1289763070 /nfs/dbraw/zinc/76/30/70/1289763070.db2.gz ZJBFZQODYAQMCM-MAUKXSAKSA-N 2 1 350.511 0.999 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001616946011 1289802657 /nfs/dbraw/zinc/80/26/57/1289802657.db2.gz CJEIYDSWESZKPW-GJZGRUSLSA-N 2 1 352.483 0.286 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001616946011 1289802667 /nfs/dbraw/zinc/80/26/67/1289802667.db2.gz CJEIYDSWESZKPW-GJZGRUSLSA-N 2 1 352.483 0.286 20 0 FCADMP CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001628813497 1290556658 /nfs/dbraw/zinc/55/66/58/1290556658.db2.gz AYTUDRLRGVWDJX-CYBMUJFWSA-N 2 1 358.446 0.904 20 0 FCADMP C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741852135 1290561785 /nfs/dbraw/zinc/56/17/85/1290561785.db2.gz OMDPZXORSXZVQO-PMPSAXMXSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741852135 1290561789 /nfs/dbraw/zinc/56/17/89/1290561789.db2.gz OMDPZXORSXZVQO-PMPSAXMXSA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)Nc2nccs2)C2CC2)CC[N@H+]1C ZINC001754440552 1290627615 /nfs/dbraw/zinc/62/76/15/1290627615.db2.gz FFHRYUCTWGPVST-MRVWCRGKSA-N 2 1 365.503 0.906 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960035 1290671147 /nfs/dbraw/zinc/67/11/47/1290671147.db2.gz FNPTYROIOIHJLR-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960035 1290671157 /nfs/dbraw/zinc/67/11/57/1290671157.db2.gz FNPTYROIOIHJLR-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960035 1290671167 /nfs/dbraw/zinc/67/11/67/1290671167.db2.gz FNPTYROIOIHJLR-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1 ZINC001756960035 1290671177 /nfs/dbraw/zinc/67/11/77/1290671177.db2.gz FNPTYROIOIHJLR-GVDBMIGSSA-N 2 1 366.506 0.107 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC001652661887 1291289389 /nfs/dbraw/zinc/28/93/89/1291289389.db2.gz CSFQHSKEJXATCX-JKSUJKDBSA-N 2 1 355.479 0.583 20 0 FCADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC001652937228 1291311763 /nfs/dbraw/zinc/31/17/63/1291311763.db2.gz GSAUMHQAFJXDPY-DLBZAZTESA-N 2 1 362.536 0.869 20 0 FCADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC001652937228 1291311767 /nfs/dbraw/zinc/31/17/67/1291311767.db2.gz GSAUMHQAFJXDPY-DLBZAZTESA-N 2 1 362.536 0.869 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cc(C)on3)C2)CC[N@H+]1C ZINC001662492683 1291726813 /nfs/dbraw/zinc/72/68/13/1291726813.db2.gz HAIWNQAZLFRULP-SOUVJXGZSA-N 2 1 363.462 0.842 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001688969180 1294555021 /nfs/dbraw/zinc/55/50/21/1294555021.db2.gz NNULNAJGUZKMTE-UAGQMJEPSA-N 2 1 368.522 0.496 20 0 FCADMP CCC(CC)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001688969180 1294555029 /nfs/dbraw/zinc/55/50/29/1294555029.db2.gz NNULNAJGUZKMTE-UAGQMJEPSA-N 2 1 368.522 0.496 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001688984903 1294558791 /nfs/dbraw/zinc/55/87/91/1294558791.db2.gz MKXNUILCURHPPJ-HZSPNIEDSA-N 2 1 367.494 0.189 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236419 1294698244 /nfs/dbraw/zinc/69/82/44/1294698244.db2.gz DILHUWGNFLKLNZ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236419 1294698253 /nfs/dbraw/zinc/69/82/53/1294698253.db2.gz DILHUWGNFLKLNZ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236419 1294698261 /nfs/dbraw/zinc/69/82/61/1294698261.db2.gz DILHUWGNFLKLNZ-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3csnn3)CC2)CC[N@@H+]1C ZINC001690060370 1294853726 /nfs/dbraw/zinc/85/37/26/1294853726.db2.gz UBIIIYJDOYBDEC-GDBMZVCRSA-N 2 1 366.535 0.502 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3csnn3)CC2)CC[N@H+]1C ZINC001690060370 1294853743 /nfs/dbraw/zinc/85/37/43/1294853743.db2.gz UBIIIYJDOYBDEC-GDBMZVCRSA-N 2 1 366.535 0.502 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc(CC[NH2+]CC(=O)NC)cc2)CC[N@H+]1C ZINC001690795040 1294884419 /nfs/dbraw/zinc/88/44/19/1294884419.db2.gz CSRPSNBNDBEFFH-ZWKOTPCHSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001690811266 1294885030 /nfs/dbraw/zinc/88/50/30/1294885030.db2.gz OKEYYPMCHFBNMO-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001690811266 1294885037 /nfs/dbraw/zinc/88/50/37/1294885037.db2.gz OKEYYPMCHFBNMO-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001690811266 1294885045 /nfs/dbraw/zinc/88/50/45/1294885045.db2.gz OKEYYPMCHFBNMO-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001690811266 1294885053 /nfs/dbraw/zinc/88/50/53/1294885053.db2.gz OKEYYPMCHFBNMO-OWCLPIDISA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001690865348 1294890610 /nfs/dbraw/zinc/89/06/10/1294890610.db2.gz JXLXHIJDLYBMNJ-JQHSSLGASA-N 2 1 360.502 0.904 20 0 FCADMP CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001691515427 1294896009 /nfs/dbraw/zinc/89/60/09/1294896009.db2.gz ASIJUJRRJBQOKJ-SOUVJXGZSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001691515427 1294896017 /nfs/dbraw/zinc/89/60/17/1294896017.db2.gz ASIJUJRRJBQOKJ-SOUVJXGZSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001691515427 1294896027 /nfs/dbraw/zinc/89/60/27/1294896027.db2.gz ASIJUJRRJBQOKJ-SOUVJXGZSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001691515427 1294896033 /nfs/dbraw/zinc/89/60/33/1294896033.db2.gz ASIJUJRRJBQOKJ-SOUVJXGZSA-N 2 1 367.494 0.143 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001691515427 1294896042 /nfs/dbraw/zinc/89/60/42/1294896042.db2.gz ASIJUJRRJBQOKJ-SOUVJXGZSA-N 2 1 367.494 0.143 20 0 FCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2C[NH2+]C3)CC1 ZINC001164823085 720308787 /nfs/dbraw/zinc/30/87/87/720308787.db2.gz ODYQZCKDEMGCLN-MSOLQXFVSA-N 2 1 370.501 0.991 20 0 FCADMP Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164739047 720628801 /nfs/dbraw/zinc/62/88/01/720628801.db2.gz DKKLSEDEHZKITB-HUUCEWRRSA-N 2 1 355.446 0.983 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930814 721852943 /nfs/dbraw/zinc/85/29/43/721852943.db2.gz SUQZLZRBNHQFAC-HUUCEWRRSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164930814 721852945 /nfs/dbraw/zinc/85/29/45/721852945.db2.gz SUQZLZRBNHQFAC-HUUCEWRRSA-N 2 1 350.898 0.990 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)C1 ZINC001070258419 837639677 /nfs/dbraw/zinc/63/96/77/837639677.db2.gz UCNHIYCARLFEAL-XHSDSOJGSA-N 2 1 352.458 0.711 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326880 837646800 /nfs/dbraw/zinc/64/68/00/837646800.db2.gz HFRSPHYOEMJNTG-OAGGEKHMSA-N 2 1 360.487 0.833 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070367048 837650007 /nfs/dbraw/zinc/65/00/07/837650007.db2.gz BISVMTINDMXXJF-INMHGKMJSA-N 2 1 354.470 0.526 20 0 FCADMP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924376 837701550 /nfs/dbraw/zinc/70/15/50/837701550.db2.gz LHJLOIDNDSRJBM-XHSDSOJGSA-N 2 1 350.463 0.598 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071086118 837730066 /nfs/dbraw/zinc/73/00/66/837730066.db2.gz PZAJPGZJVRXESI-AEFFLSMTSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001071200833 837734996 /nfs/dbraw/zinc/73/49/96/837734996.db2.gz JCGLPJBDBOLFNA-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(=O)N(C)C)C3)CC[N@H+]1C ZINC001072755117 837743821 /nfs/dbraw/zinc/74/38/21/837743821.db2.gz UCGDNSARXKTXDR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)C(=O)N(C)C)C3)CC[NH+]1C ZINC001072755117 837743824 /nfs/dbraw/zinc/74/38/24/837743824.db2.gz UCGDNSARXKTXDR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)N(C)C)C3)CC[NH+]1C ZINC001072755117 837743828 /nfs/dbraw/zinc/74/38/28/837743828.db2.gz UCGDNSARXKTXDR-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099301131 844013036 /nfs/dbraw/zinc/01/30/36/844013036.db2.gz BGTMOJFPUYAJRA-YUSALJHKSA-N 2 1 350.385 0.181 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074711369 837827105 /nfs/dbraw/zinc/82/71/05/837827105.db2.gz YIYCGICMTCLBAA-BFJAYTPKSA-N 2 1 350.467 0.096 20 0 FCADMP CCn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074711369 837827109 /nfs/dbraw/zinc/82/71/09/837827109.db2.gz YIYCGICMTCLBAA-BFJAYTPKSA-N 2 1 350.467 0.096 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCc2ccns2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710683 837827488 /nfs/dbraw/zinc/82/74/88/837827488.db2.gz CMNAUDFPBCMJPL-BFJAYTPKSA-N 2 1 352.504 0.984 20 0 FCADMP C[C@H]1[C@@H]([NH2+]CCc2ccns2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710683 837827503 /nfs/dbraw/zinc/82/75/03/837827503.db2.gz CMNAUDFPBCMJPL-BFJAYTPKSA-N 2 1 352.504 0.984 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171566 844086586 /nfs/dbraw/zinc/08/65/86/844086586.db2.gz FJXCUJUIOIQNHU-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171566 844086593 /nfs/dbraw/zinc/08/65/93/844086593.db2.gz FJXCUJUIOIQNHU-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171566 844086601 /nfs/dbraw/zinc/08/66/01/844086601.db2.gz FJXCUJUIOIQNHU-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171566 844086604 /nfs/dbraw/zinc/08/66/04/844086604.db2.gz FJXCUJUIOIQNHU-VYDXJSESSA-N 2 1 357.520 0.296 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243638 844117325 /nfs/dbraw/zinc/11/73/25/844117325.db2.gz UUFJBEHEHFUDSP-NNFUDEMPSA-N 2 1 350.507 0.585 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243638 844117335 /nfs/dbraw/zinc/11/73/35/844117335.db2.gz UUFJBEHEHFUDSP-NNFUDEMPSA-N 2 1 350.507 0.585 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243638 844117343 /nfs/dbraw/zinc/11/73/43/844117343.db2.gz UUFJBEHEHFUDSP-NNFUDEMPSA-N 2 1 350.507 0.585 20 0 FCADMP COCCOCCOCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702582930 836099720 /nfs/dbraw/zinc/09/97/20/836099720.db2.gz BFZXIPTULCEDDG-IBGZPJMESA-N 2 1 352.475 0.893 20 0 FCADMP COCCOCCOCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702582930 836099728 /nfs/dbraw/zinc/09/97/28/836099728.db2.gz BFZXIPTULCEDDG-IBGZPJMESA-N 2 1 352.475 0.893 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101342888 844151518 /nfs/dbraw/zinc/15/15/18/844151518.db2.gz SCHAYTVXHNEPFP-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339659 844152516 /nfs/dbraw/zinc/15/25/16/844152516.db2.gz AKSYLRAYWPPBAX-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339659 844152520 /nfs/dbraw/zinc/15/25/20/844152520.db2.gz AKSYLRAYWPPBAX-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339659 844152527 /nfs/dbraw/zinc/15/25/27/844152527.db2.gz AKSYLRAYWPPBAX-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP COCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339659 844152529 /nfs/dbraw/zinc/15/25/29/844152529.db2.gz AKSYLRAYWPPBAX-AOIWGVFYSA-N 2 1 353.507 0.912 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@@]2(C)C1 ZINC001101351265 844155070 /nfs/dbraw/zinc/15/50/70/844155070.db2.gz AINOPUPLURTYCT-BEFAXECRSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353055 844156054 /nfs/dbraw/zinc/15/60/54/844156054.db2.gz QNPNZBOZZAXGJZ-MDZRGWNJSA-N 2 1 352.523 0.975 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101352554 844156385 /nfs/dbraw/zinc/15/63/85/844156385.db2.gz GGFMEUAPOGJWHM-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000751040687 836461400 /nfs/dbraw/zinc/46/14/00/836461400.db2.gz VXWJPAQTCKIJSQ-OAHLLOKOSA-N 2 1 355.552 0.487 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402460 844174897 /nfs/dbraw/zinc/17/48/97/844174897.db2.gz JZCLVZAGXDAXFU-LMMKCTJWSA-N 2 1 353.507 0.506 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C3CC[NH+](C)CC3)CCC2)CC[N@H+]1C ZINC001063221796 836757549 /nfs/dbraw/zinc/75/75/49/836757549.db2.gz JTNYCFZPMYKMSW-GDBMZVCRSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@H](C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063494151 836771197 /nfs/dbraw/zinc/77/11/97/836771197.db2.gz CCVVWYPOUCCWKR-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@H](C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1)[NH+](C)C ZINC001063494151 836771203 /nfs/dbraw/zinc/77/12/03/836771203.db2.gz CCVVWYPOUCCWKR-RBSFLKMASA-N 2 1 354.495 0.201 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478435 844202557 /nfs/dbraw/zinc/20/25/57/844202557.db2.gz NTYYGIVBBLOLGG-JZXOWHBKSA-N 2 1 371.547 0.542 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478435 844202565 /nfs/dbraw/zinc/20/25/65/844202565.db2.gz NTYYGIVBBLOLGG-JZXOWHBKSA-N 2 1 371.547 0.542 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001101478435 844202571 /nfs/dbraw/zinc/20/25/71/844202571.db2.gz NTYYGIVBBLOLGG-JZXOWHBKSA-N 2 1 371.547 0.542 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCC[NH+](C)C)C2)CC[N@H+]1C ZINC001065205453 836819734 /nfs/dbraw/zinc/81/97/34/836819734.db2.gz CUGMWYLSOICRSG-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCO1 ZINC001065210145 836823244 /nfs/dbraw/zinc/82/32/44/836823244.db2.gz AYPHSCKJZDIIQV-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065210145 836823252 /nfs/dbraw/zinc/82/32/52/836823252.db2.gz AYPHSCKJZDIIQV-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065210145 836823258 /nfs/dbraw/zinc/82/32/58/836823258.db2.gz AYPHSCKJZDIIQV-OWCLPIDISA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001075433834 837842414 /nfs/dbraw/zinc/84/24/14/837842414.db2.gz BPSALDNNOZZNBH-IXDOHACOSA-N 2 1 353.507 0.959 20 0 FCADMP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001075433834 837842417 /nfs/dbraw/zinc/84/24/17/837842417.db2.gz BPSALDNNOZZNBH-IXDOHACOSA-N 2 1 353.507 0.959 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815388 844277504 /nfs/dbraw/zinc/27/75/04/844277504.db2.gz DNNGOIRLCDGVEE-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101815388 844277510 /nfs/dbraw/zinc/27/75/10/844277510.db2.gz DNNGOIRLCDGVEE-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101815388 844277525 /nfs/dbraw/zinc/27/75/25/844277525.db2.gz DNNGOIRLCDGVEE-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001076254712 837975345 /nfs/dbraw/zinc/97/53/45/837975345.db2.gz LGSHQEGOMRATCV-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1)C1CC1 ZINC001101815770 844280121 /nfs/dbraw/zinc/28/01/21/844280121.db2.gz RUVXKEVEBSPRPE-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1)C1CC1 ZINC001101815770 844280123 /nfs/dbraw/zinc/28/01/23/844280123.db2.gz RUVXKEVEBSPRPE-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1)C1CC1 ZINC001101815770 844280128 /nfs/dbraw/zinc/28/01/28/844280128.db2.gz RUVXKEVEBSPRPE-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568165 838017555 /nfs/dbraw/zinc/01/75/55/838017555.db2.gz XQECHXCASCAWDT-YESZJQIVSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568165 838017562 /nfs/dbraw/zinc/01/75/62/838017562.db2.gz XQECHXCASCAWDT-YESZJQIVSA-N 2 1 369.531 0.296 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)C1 ZINC001076568165 838017572 /nfs/dbraw/zinc/01/75/72/838017572.db2.gz XQECHXCASCAWDT-YESZJQIVSA-N 2 1 369.531 0.296 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC001077007154 838212347 /nfs/dbraw/zinc/21/23/47/838212347.db2.gz BAOYVOMXIWMISV-GVDBMIGSSA-N 2 1 364.515 0.497 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC001077007154 838212365 /nfs/dbraw/zinc/21/23/65/838212365.db2.gz BAOYVOMXIWMISV-GVDBMIGSSA-N 2 1 364.515 0.497 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001077091001 838724527 /nfs/dbraw/zinc/72/45/27/838724527.db2.gz IRSFNEDRUVAGST-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077091001 838724535 /nfs/dbraw/zinc/72/45/35/838724535.db2.gz IRSFNEDRUVAGST-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001077091001 838724548 /nfs/dbraw/zinc/72/45/48/838724548.db2.gz IRSFNEDRUVAGST-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015536 844373846 /nfs/dbraw/zinc/37/38/46/844373846.db2.gz JQCBKWGHUWKICB-BZUAXINKSA-N 2 1 358.502 0.877 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102013326 844374100 /nfs/dbraw/zinc/37/41/00/844374100.db2.gz VORUFGXTYFDPOV-OAGGEKHMSA-N 2 1 354.474 0.642 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077395041 838946992 /nfs/dbraw/zinc/94/69/92/838946992.db2.gz QIJIZQGADVBGLW-IAGOWNOFSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001077395041 838946997 /nfs/dbraw/zinc/94/69/97/838946997.db2.gz QIJIZQGADVBGLW-IAGOWNOFSA-N 2 1 350.463 0.560 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001077440319 838967942 /nfs/dbraw/zinc/96/79/42/838967942.db2.gz JLHPVPPVCXCKII-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001077505262 839004072 /nfs/dbraw/zinc/00/40/72/839004072.db2.gz XOAIRSAMUXKYTB-BHUNQDJPSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566800 839040517 /nfs/dbraw/zinc/04/05/17/839040517.db2.gz OKRFGYAXGYVYRW-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566800 839040524 /nfs/dbraw/zinc/04/05/24/839040524.db2.gz OKRFGYAXGYVYRW-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566800 839040537 /nfs/dbraw/zinc/04/05/37/839040537.db2.gz OKRFGYAXGYVYRW-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566800 839040550 /nfs/dbraw/zinc/04/05/50/839040550.db2.gz OKRFGYAXGYVYRW-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044783 844394637 /nfs/dbraw/zinc/39/46/37/844394637.db2.gz FJHULYSLMZSNDF-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044783 844394639 /nfs/dbraw/zinc/39/46/39/844394639.db2.gz FJHULYSLMZSNDF-BRWVUGGUSA-N 2 1 351.495 0.534 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048583 844396792 /nfs/dbraw/zinc/39/67/92/844396792.db2.gz HJIGJGFBLZWXNW-KYJSFNMBSA-N 2 1 352.523 0.783 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777185 839151086 /nfs/dbraw/zinc/15/10/86/839151086.db2.gz BDFOHVWXLNWZEC-CGTJXYLNSA-N 2 1 353.507 0.981 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777185 839151091 /nfs/dbraw/zinc/15/10/91/839151091.db2.gz BDFOHVWXLNWZEC-CGTJXYLNSA-N 2 1 353.507 0.981 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006321 839286999 /nfs/dbraw/zinc/28/69/99/839286999.db2.gz ZMEHNDNPHRMDJP-RBSFLKMASA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006321 839287010 /nfs/dbraw/zinc/28/70/10/839287010.db2.gz ZMEHNDNPHRMDJP-RBSFLKMASA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006321 839287022 /nfs/dbraw/zinc/28/70/22/839287022.db2.gz ZMEHNDNPHRMDJP-RBSFLKMASA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012011 839291895 /nfs/dbraw/zinc/29/18/95/839291895.db2.gz QZUIJHGCBACOQO-ZIAGYGMSSA-N 2 1 350.488 0.251 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175059 839382964 /nfs/dbraw/zinc/38/29/64/839382964.db2.gz VMWBLVKMDYYGNA-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175059 839382977 /nfs/dbraw/zinc/38/29/77/839382977.db2.gz VMWBLVKMDYYGNA-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001078175059 839382992 /nfs/dbraw/zinc/38/29/92/839382992.db2.gz VMWBLVKMDYYGNA-DJIMGWMZSA-N 2 1 351.878 0.996 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCCC1 ZINC001078182494 839386722 /nfs/dbraw/zinc/38/67/22/839386722.db2.gz XVWQXSKXLQSQAJ-ZACQAIPSSA-N 2 1 350.463 0.558 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCCC1 ZINC001078182494 839386733 /nfs/dbraw/zinc/38/67/33/839386733.db2.gz XVWQXSKXLQSQAJ-ZACQAIPSSA-N 2 1 350.463 0.558 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2O)o1 ZINC001078262921 839433315 /nfs/dbraw/zinc/43/33/15/839433315.db2.gz VWUPHEMYCWMSPT-NUEKZKHPSA-N 2 1 353.463 0.931 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)COC)C[C@H]2O)o1 ZINC001078262921 839433321 /nfs/dbraw/zinc/43/33/21/839433321.db2.gz VWUPHEMYCWMSPT-NUEKZKHPSA-N 2 1 353.463 0.931 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259537 839502316 /nfs/dbraw/zinc/50/23/16/839502316.db2.gz FMSULEXAVIDAFT-YESZJQIVSA-N 2 1 351.491 0.260 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079681625 839573293 /nfs/dbraw/zinc/57/32/93/839573293.db2.gz UPSCKXOWNGBNCO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079681625 839573301 /nfs/dbraw/zinc/57/33/01/839573301.db2.gz UPSCKXOWNGBNCO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079681625 839573310 /nfs/dbraw/zinc/57/33/10/839573310.db2.gz UPSCKXOWNGBNCO-BRWVUGGUSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001079848663 839607863 /nfs/dbraw/zinc/60/78/63/839607863.db2.gz GEUJDDASRRHRFT-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001079848663 839607873 /nfs/dbraw/zinc/60/78/73/839607873.db2.gz GEUJDDASRRHRFT-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001079848663 839607878 /nfs/dbraw/zinc/60/78/78/839607878.db2.gz GEUJDDASRRHRFT-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001079848663 839607884 /nfs/dbraw/zinc/60/78/84/839607884.db2.gz GEUJDDASRRHRFT-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949065 839628903 /nfs/dbraw/zinc/62/89/03/839628903.db2.gz NGHXRBIBCXKRJC-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079966067 839635185 /nfs/dbraw/zinc/63/51/85/839635185.db2.gz ZIAYVKMCCKYXCV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079966067 839635189 /nfs/dbraw/zinc/63/51/89/839635189.db2.gz ZIAYVKMCCKYXCV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079966067 839635192 /nfs/dbraw/zinc/63/51/92/839635192.db2.gz ZIAYVKMCCKYXCV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079966067 839635195 /nfs/dbraw/zinc/63/51/95/839635195.db2.gz ZIAYVKMCCKYXCV-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294033 844459946 /nfs/dbraw/zinc/45/99/46/844459946.db2.gz DXBXMJLVTGOIAK-NVXWUHKLSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312789 844464385 /nfs/dbraw/zinc/46/43/85/844464385.db2.gz NQLRECSNQDIIHP-RHSMWYFYSA-N 2 1 350.507 0.539 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312804 844464444 /nfs/dbraw/zinc/46/44/44/844464444.db2.gz ORHIEKFJQUWJSE-NVXWUHKLSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382404 839713939 /nfs/dbraw/zinc/71/39/39/839713939.db2.gz KAISYQJQCCJLEI-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382404 839713948 /nfs/dbraw/zinc/71/39/48/839713948.db2.gz KAISYQJQCCJLEI-RHSMWYFYSA-N 2 1 350.507 0.824 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456064 839728744 /nfs/dbraw/zinc/72/87/44/839728744.db2.gz LZYMUOCZJKNWKQ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456064 839728751 /nfs/dbraw/zinc/72/87/51/839728751.db2.gz LZYMUOCZJKNWKQ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456064 839728756 /nfs/dbraw/zinc/72/87/56/839728756.db2.gz LZYMUOCZJKNWKQ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456064 839728765 /nfs/dbraw/zinc/72/87/65/839728765.db2.gz LZYMUOCZJKNWKQ-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080700012 839779900 /nfs/dbraw/zinc/77/99/00/839779900.db2.gz HXLHQMCBTJZDJE-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779699 839797370 /nfs/dbraw/zinc/79/73/70/839797370.db2.gz YFFXMDZCOBVVJQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779699 839797376 /nfs/dbraw/zinc/79/73/76/839797376.db2.gz YFFXMDZCOBVVJQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779699 839797384 /nfs/dbraw/zinc/79/73/84/839797384.db2.gz YFFXMDZCOBVVJQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779699 839797394 /nfs/dbraw/zinc/79/73/94/839797394.db2.gz YFFXMDZCOBVVJQ-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935410 839837405 /nfs/dbraw/zinc/83/74/05/839837405.db2.gz UAGLTGBGEYMMOW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935410 839837416 /nfs/dbraw/zinc/83/74/16/839837416.db2.gz UAGLTGBGEYMMOW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935410 839837426 /nfs/dbraw/zinc/83/74/26/839837426.db2.gz UAGLTGBGEYMMOW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935410 839837439 /nfs/dbraw/zinc/83/74/39/839837439.db2.gz UAGLTGBGEYMMOW-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370135 844477563 /nfs/dbraw/zinc/47/75/63/844477563.db2.gz SAJHJNPVTHXJSM-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370135 844477566 /nfs/dbraw/zinc/47/75/66/844477566.db2.gz SAJHJNPVTHXJSM-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP CCCCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370135 844477568 /nfs/dbraw/zinc/47/75/68/844477568.db2.gz SAJHJNPVTHXJSM-GVDBMIGSSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102377326 844480811 /nfs/dbraw/zinc/48/08/11/844480811.db2.gz ZPAWQTJSWVTVRD-HZPDHXFCSA-N 2 1 350.511 0.940 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102377326 844480814 /nfs/dbraw/zinc/48/08/14/844480814.db2.gz ZPAWQTJSWVTVRD-HZPDHXFCSA-N 2 1 350.511 0.940 20 0 FCADMP C[C@@H]1C[NH+](CCn2cncn2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102377326 844480818 /nfs/dbraw/zinc/48/08/18/844480818.db2.gz ZPAWQTJSWVTVRD-HZPDHXFCSA-N 2 1 350.511 0.940 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430533 844496941 /nfs/dbraw/zinc/49/69/41/844496941.db2.gz VMWYBTVOFKSYNH-KZNAEPCWSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468488 844510682 /nfs/dbraw/zinc/51/06/82/844510682.db2.gz KUAVKYYLGABFQX-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468488 844510687 /nfs/dbraw/zinc/51/06/87/844510687.db2.gz KUAVKYYLGABFQX-KZNAEPCWSA-N 2 1 353.507 0.819 20 0 FCADMP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135970 840203882 /nfs/dbraw/zinc/20/38/82/840203882.db2.gz BMNVKXALENLBCL-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135970 840203892 /nfs/dbraw/zinc/20/38/92/840203892.db2.gz BMNVKXALENLBCL-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135970 840203896 /nfs/dbraw/zinc/20/38/96/840203896.db2.gz BMNVKXALENLBCL-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135970 840203906 /nfs/dbraw/zinc/20/39/06/840203906.db2.gz BMNVKXALENLBCL-FVQBIDKESA-N 2 1 352.504 0.843 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102475584 844515845 /nfs/dbraw/zinc/51/58/45/844515845.db2.gz UXAACHNHHBFOFG-HZPDHXFCSA-N 2 1 355.527 0.720 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082192042 840230776 /nfs/dbraw/zinc/23/07/76/840230776.db2.gz RQHUCKCLSMHYCV-ARFHVFGLSA-N 2 1 350.463 0.858 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082192042 840230784 /nfs/dbraw/zinc/23/07/84/840230784.db2.gz RQHUCKCLSMHYCV-ARFHVFGLSA-N 2 1 350.463 0.858 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102497576 844531231 /nfs/dbraw/zinc/53/12/31/844531231.db2.gz ZFOLHXXLQUTILA-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328390 840310870 /nfs/dbraw/zinc/31/08/70/840310870.db2.gz RHEHATYBCLAAQZ-ZIAGYGMSSA-N 2 1 350.488 0.863 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328390 840310883 /nfs/dbraw/zinc/31/08/83/840310883.db2.gz RHEHATYBCLAAQZ-ZIAGYGMSSA-N 2 1 350.488 0.863 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102497576 844531238 /nfs/dbraw/zinc/53/12/38/844531238.db2.gz ZFOLHXXLQUTILA-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102497576 844531246 /nfs/dbraw/zinc/53/12/46/844531246.db2.gz ZFOLHXXLQUTILA-ZACQAIPSSA-N 2 1 359.511 0.036 20 0 FCADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368944 840356158 /nfs/dbraw/zinc/35/61/58/840356158.db2.gz SCWHEEDXIDOMPA-KBRIMQKVSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368944 840356166 /nfs/dbraw/zinc/35/61/66/840356166.db2.gz SCWHEEDXIDOMPA-KBRIMQKVSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368944 840356176 /nfs/dbraw/zinc/35/61/76/840356176.db2.gz SCWHEEDXIDOMPA-KBRIMQKVSA-N 2 1 350.463 0.813 20 0 FCADMP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368944 840356189 /nfs/dbraw/zinc/35/61/89/840356189.db2.gz SCWHEEDXIDOMPA-KBRIMQKVSA-N 2 1 350.463 0.813 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371456 840359106 /nfs/dbraw/zinc/35/91/06/840359106.db2.gz KCFVUQUBTCSQGX-BRWVUGGUSA-N 2 1 350.463 0.824 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371456 840359122 /nfs/dbraw/zinc/35/91/22/840359122.db2.gz KCFVUQUBTCSQGX-BRWVUGGUSA-N 2 1 350.463 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379057 840369617 /nfs/dbraw/zinc/36/96/17/840369617.db2.gz IAHPQFYPWYKKNR-RBSFLKMASA-N 2 1 361.433 0.568 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379057 840369625 /nfs/dbraw/zinc/36/96/25/840369625.db2.gz IAHPQFYPWYKKNR-RBSFLKMASA-N 2 1 361.433 0.568 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379057 840369630 /nfs/dbraw/zinc/36/96/30/840369630.db2.gz IAHPQFYPWYKKNR-RBSFLKMASA-N 2 1 361.433 0.568 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2OC)C1 ZINC001082379057 840369638 /nfs/dbraw/zinc/36/96/38/840369638.db2.gz IAHPQFYPWYKKNR-RBSFLKMASA-N 2 1 361.433 0.568 20 0 FCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082450105 840416884 /nfs/dbraw/zinc/41/68/84/840416884.db2.gz XJMSMQIFQAJUNH-YUELXQCFSA-N 2 1 352.504 0.749 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001082522318 840448098 /nfs/dbraw/zinc/44/80/98/840448098.db2.gz AGXQFFVOLUVIPV-QKPAOTATSA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082561607 840466229 /nfs/dbraw/zinc/46/62/29/840466229.db2.gz DZQVWALNKUHMTG-IIAWOOMASA-N 2 1 357.520 0.342 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1)[NH+](C)C ZINC001082575341 840472704 /nfs/dbraw/zinc/47/27/04/840472704.db2.gz ZBUSNHRMBOTVHI-FMKPAKJESA-N 2 1 351.499 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514397 844546080 /nfs/dbraw/zinc/54/60/80/844546080.db2.gz WBCWPSZCZYTKCS-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514397 844546084 /nfs/dbraw/zinc/54/60/84/844546084.db2.gz WBCWPSZCZYTKCS-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514397 844546091 /nfs/dbraw/zinc/54/60/91/844546091.db2.gz WBCWPSZCZYTKCS-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513671 844544708 /nfs/dbraw/zinc/54/47/08/844544708.db2.gz WJFBHWXIFDNSCB-BZUAXINKSA-N 2 1 356.511 0.293 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513890 844544985 /nfs/dbraw/zinc/54/49/85/844544985.db2.gz FKYWFKPAGLTNOS-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513890 844544986 /nfs/dbraw/zinc/54/49/86/844544986.db2.gz FKYWFKPAGLTNOS-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513890 844544987 /nfs/dbraw/zinc/54/49/87/844544987.db2.gz FKYWFKPAGLTNOS-IXDOHACOSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514473 844546495 /nfs/dbraw/zinc/54/64/95/844546495.db2.gz YNWKXMMPSCRYIX-HZPDHXFCSA-N 2 1 350.507 0.539 20 0 FCADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1C ZINC001082724053 840537108 /nfs/dbraw/zinc/53/71/08/840537108.db2.gz BLZFSXPSHIIHMU-CKEIUWERSA-N 2 1 350.511 0.900 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1)[NH+](C)C ZINC001082724333 840538235 /nfs/dbraw/zinc/53/82/35/840538235.db2.gz ZBUSNHRMBOTVHI-IIAWOOMASA-N 2 1 351.499 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102525892 844553418 /nfs/dbraw/zinc/55/34/18/844553418.db2.gz ZWQHZVUTDYYHLR-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102525892 844553427 /nfs/dbraw/zinc/55/34/27/844553427.db2.gz ZWQHZVUTDYYHLR-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102525892 844553434 /nfs/dbraw/zinc/55/34/34/844553434.db2.gz ZWQHZVUTDYYHLR-HLLBOEOZSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082743880 840544753 /nfs/dbraw/zinc/54/47/53/840544753.db2.gz HHGRXNFSCBWMDJ-BZUAXINKSA-N 2 1 371.547 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001082807504 840570029 /nfs/dbraw/zinc/57/00/29/840570029.db2.gz LYXOWQUPLSJBMV-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102524437 844552275 /nfs/dbraw/zinc/55/22/75/844552275.db2.gz FIHPJKTWMRMNSG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102524437 844552278 /nfs/dbraw/zinc/55/22/78/844552278.db2.gz FIHPJKTWMRMNSG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102524437 844552282 /nfs/dbraw/zinc/55/22/82/844552282.db2.gz FIHPJKTWMRMNSG-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082919913 840602268 /nfs/dbraw/zinc/60/22/68/840602268.db2.gz KBSFMAIBGSZZJW-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001082922460 840603448 /nfs/dbraw/zinc/60/34/48/840603448.db2.gz FRDARSWSVGTYFF-CZUORRHYSA-N 2 1 368.503 0.453 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001082933974 840613466 /nfs/dbraw/zinc/61/34/66/840613466.db2.gz RIJWWFBJSZADEF-BNOWGMLFSA-N 2 1 353.492 0.504 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3snnc3C)C2)C1 ZINC001082933974 840613470 /nfs/dbraw/zinc/61/34/70/840613470.db2.gz RIJWWFBJSZADEF-BNOWGMLFSA-N 2 1 353.492 0.504 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083148951 840752709 /nfs/dbraw/zinc/75/27/09/840752709.db2.gz PIYLSXGIRVHCFC-SYGRHNPNSA-N 2 1 353.438 0.121 20 0 FCADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCF)C[C@@H]21 ZINC001083148951 840752715 /nfs/dbraw/zinc/75/27/15/840752715.db2.gz PIYLSXGIRVHCFC-SYGRHNPNSA-N 2 1 353.438 0.121 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCCF)C[C@@H]21 ZINC001083148951 840752723 /nfs/dbraw/zinc/75/27/23/840752723.db2.gz PIYLSXGIRVHCFC-SYGRHNPNSA-N 2 1 353.438 0.121 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578003 844571345 /nfs/dbraw/zinc/57/13/45/844571345.db2.gz GYVVEMHDBRTGKT-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578003 844571357 /nfs/dbraw/zinc/57/13/57/844571357.db2.gz GYVVEMHDBRTGKT-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578003 844571366 /nfs/dbraw/zinc/57/13/66/844571366.db2.gz GYVVEMHDBRTGKT-OWCLPIDISA-N 2 1 352.523 0.927 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578002 844571938 /nfs/dbraw/zinc/57/19/38/844571938.db2.gz GYVVEMHDBRTGKT-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578002 844571940 /nfs/dbraw/zinc/57/19/40/844571940.db2.gz GYVVEMHDBRTGKT-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP CCC(CC)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578002 844571943 /nfs/dbraw/zinc/57/19/43/844571943.db2.gz GYVVEMHDBRTGKT-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)CC1 ZINC001083182927 840780298 /nfs/dbraw/zinc/78/02/98/840780298.db2.gz DQUMYFRCLHGPKW-ZWKOTPCHSA-N 2 1 351.491 0.809 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1C ZINC001102601058 844591865 /nfs/dbraw/zinc/59/18/65/844591865.db2.gz IIDQLMDTTLDPNG-HUUCEWRRSA-N 2 1 350.511 0.902 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1C ZINC001102601058 844591870 /nfs/dbraw/zinc/59/18/70/844591870.db2.gz IIDQLMDTTLDPNG-HUUCEWRRSA-N 2 1 350.511 0.902 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)n1C ZINC001102601058 844591879 /nfs/dbraw/zinc/59/18/79/844591879.db2.gz IIDQLMDTTLDPNG-HUUCEWRRSA-N 2 1 350.511 0.902 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)n1C ZINC001102601058 844591887 /nfs/dbraw/zinc/59/18/87/844591887.db2.gz IIDQLMDTTLDPNG-HUUCEWRRSA-N 2 1 350.511 0.902 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465796 841036277 /nfs/dbraw/zinc/03/62/77/841036277.db2.gz SLATYUFYODPGMD-OAGGEKHMSA-N 2 1 364.515 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465796 841036285 /nfs/dbraw/zinc/03/62/85/841036285.db2.gz SLATYUFYODPGMD-OAGGEKHMSA-N 2 1 364.515 0.763 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083523238 841120834 /nfs/dbraw/zinc/12/08/34/841120834.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083523238 841120841 /nfs/dbraw/zinc/12/08/41/841120841.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001083523238 841120849 /nfs/dbraw/zinc/12/08/49/841120849.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654768 841281473 /nfs/dbraw/zinc/28/14/73/841281473.db2.gz FRRZIYCDFKVLOJ-PLQZLIEUSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654768 841281479 /nfs/dbraw/zinc/28/14/79/841281479.db2.gz FRRZIYCDFKVLOJ-PLQZLIEUSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654768 841281484 /nfs/dbraw/zinc/28/14/84/841281484.db2.gz FRRZIYCDFKVLOJ-PLQZLIEUSA-N 2 1 363.483 0.273 20 0 FCADMP O=C(N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654768 841281491 /nfs/dbraw/zinc/28/14/91/841281491.db2.gz FRRZIYCDFKVLOJ-PLQZLIEUSA-N 2 1 363.483 0.273 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801919 861198608 /nfs/dbraw/zinc/19/86/08/861198608.db2.gz YAWUTTAPULLYTG-QGZVFWFLSA-N 2 1 352.523 0.319 20 0 FCADMP CN(C)CC[NH+]1CCCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801919 861198613 /nfs/dbraw/zinc/19/86/13/861198613.db2.gz YAWUTTAPULLYTG-QGZVFWFLSA-N 2 1 352.523 0.319 20 0 FCADMP CN(C)CC[NH+]1CCCC2(CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801919 861198617 /nfs/dbraw/zinc/19/86/17/861198617.db2.gz YAWUTTAPULLYTG-QGZVFWFLSA-N 2 1 352.523 0.319 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083833023 841477231 /nfs/dbraw/zinc/47/72/31/841477231.db2.gz FYUHURIQWVYAAW-KURKYZTESA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083908458 841555709 /nfs/dbraw/zinc/55/57/09/841555709.db2.gz FGNSHTLYRZVOJY-JQHSSLGASA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001083908768 841556458 /nfs/dbraw/zinc/55/64/58/841556458.db2.gz VWQDUSONFWYGLJ-SJORKVTESA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001083908768 841556469 /nfs/dbraw/zinc/55/64/69/841556469.db2.gz VWQDUSONFWYGLJ-SJORKVTESA-N 2 1 366.531 0.967 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959307 841605112 /nfs/dbraw/zinc/60/51/12/841605112.db2.gz QNAZVANURSOSCZ-SJORKVTESA-N 2 1 351.491 0.450 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056513 841671075 /nfs/dbraw/zinc/67/10/75/841671075.db2.gz BFGZHAUBZJIYAI-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056513 841671084 /nfs/dbraw/zinc/67/10/84/841671084.db2.gz BFGZHAUBZJIYAI-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056513 841671089 /nfs/dbraw/zinc/67/10/89/841671089.db2.gz BFGZHAUBZJIYAI-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001084056513 841671098 /nfs/dbraw/zinc/67/10/98/841671098.db2.gz BFGZHAUBZJIYAI-XKQJLSEDSA-N 2 1 367.877 0.832 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084427554 841793636 /nfs/dbraw/zinc/79/36/36/841793636.db2.gz MFTLGLGUJCBBGV-NUJGCVRESA-N 2 1 350.507 0.728 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21)[NH+](C)C ZINC001084427554 841793638 /nfs/dbraw/zinc/79/36/38/841793638.db2.gz MFTLGLGUJCBBGV-NUJGCVRESA-N 2 1 350.507 0.728 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(CC(OC)OC)C(=O)CO3)CC1 ZINC001275879887 861244807 /nfs/dbraw/zinc/24/48/07/861244807.db2.gz QWEPNGJGHSZRSD-UHFFFAOYSA-N 2 1 355.479 0.250 20 0 FCADMP CC[C@H](NC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2)C(N)=O ZINC001275881273 861247461 /nfs/dbraw/zinc/24/74/61/861247461.db2.gz YRBTUSCSYVIOBR-OAGGEKHMSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702718 841890288 /nfs/dbraw/zinc/89/02/88/841890288.db2.gz NMGFDOMAJOZTTG-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702718 841890299 /nfs/dbraw/zinc/89/02/99/841890299.db2.gz NMGFDOMAJOZTTG-DJIMGWMZSA-N 2 1 350.507 0.728 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001084745047 841906683 /nfs/dbraw/zinc/90/66/83/841906683.db2.gz FUFUEHYTTXSIFM-LZLYRXPVSA-N 2 1 351.491 0.666 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074734 842006508 /nfs/dbraw/zinc/00/65/08/842006508.db2.gz AIQHFBXNZQZYBT-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074734 842006518 /nfs/dbraw/zinc/00/65/18/842006518.db2.gz AIQHFBXNZQZYBT-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074734 842006530 /nfs/dbraw/zinc/00/65/30/842006530.db2.gz AIQHFBXNZQZYBT-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CCS(C)(=O)=O)[C@H]3C2)C1 ZINC001085074734 842006541 /nfs/dbraw/zinc/00/65/41/842006541.db2.gz AIQHFBXNZQZYBT-OAGGEKHMSA-N 2 1 357.520 0.296 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085152574 842028060 /nfs/dbraw/zinc/02/80/60/842028060.db2.gz JEMPOIHYFCGFQD-KFWWJZLASA-N 2 1 352.458 0.859 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085152574 842028070 /nfs/dbraw/zinc/02/80/70/842028070.db2.gz JEMPOIHYFCGFQD-KFWWJZLASA-N 2 1 352.458 0.859 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC001085159083 842029691 /nfs/dbraw/zinc/02/96/91/842029691.db2.gz HICOTFBESHGSRL-BZUAXINKSA-N 2 1 369.897 0.884 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC001085159083 842029699 /nfs/dbraw/zinc/02/96/99/842029699.db2.gz HICOTFBESHGSRL-BZUAXINKSA-N 2 1 369.897 0.884 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085274885 842065715 /nfs/dbraw/zinc/06/57/15/842065715.db2.gz DQROOLYLWVZAEJ-BZUAXINKSA-N 2 1 368.503 0.643 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085422936 842099266 /nfs/dbraw/zinc/09/92/66/842099266.db2.gz OOVNICIVMRQACC-RRFJBIMHSA-N 2 1 350.463 0.104 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085429338 842103215 /nfs/dbraw/zinc/10/32/15/842103215.db2.gz OIABUEMZKPCKSJ-BZUAXINKSA-N 2 1 350.467 0.016 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085429338 842103218 /nfs/dbraw/zinc/10/32/18/842103218.db2.gz OIABUEMZKPCKSJ-BZUAXINKSA-N 2 1 350.467 0.016 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085606035 842108304 /nfs/dbraw/zinc/10/83/04/842108304.db2.gz BCJRPPQKWMTUGF-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001085606035 842108310 /nfs/dbraw/zinc/10/83/10/842108310.db2.gz BCJRPPQKWMTUGF-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606035 842108316 /nfs/dbraw/zinc/10/83/16/842108316.db2.gz BCJRPPQKWMTUGF-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001085606035 842108325 /nfs/dbraw/zinc/10/83/25/842108325.db2.gz BCJRPPQKWMTUGF-RBSFLKMASA-N 2 1 350.463 0.008 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120142 842122072 /nfs/dbraw/zinc/12/20/72/842122072.db2.gz MYHKOPVCUUIYKV-FIUQPQMISA-N 2 1 350.463 0.995 20 0 FCADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120142 842122077 /nfs/dbraw/zinc/12/20/77/842122077.db2.gz MYHKOPVCUUIYKV-FIUQPQMISA-N 2 1 350.463 0.995 20 0 FCADMP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001086370158 842128684 /nfs/dbraw/zinc/12/86/84/842128684.db2.gz TWFCFYIHJFVNDK-WRQOLXDDSA-N 2 1 350.507 0.820 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086695136 842153090 /nfs/dbraw/zinc/15/30/90/842153090.db2.gz COXKLRGVMTUMMA-BBWFWOEESA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001086700670 842153685 /nfs/dbraw/zinc/15/36/85/842153685.db2.gz FMODVCMLFBXXNE-VVLHAWIVSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)C1 ZINC001086880034 842189315 /nfs/dbraw/zinc/18/93/15/842189315.db2.gz IWXZYRNMKQURHM-GZBFAFLISA-N 2 1 353.492 0.633 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)C1 ZINC001086880034 842189320 /nfs/dbraw/zinc/18/93/20/842189320.db2.gz IWXZYRNMKQURHM-GZBFAFLISA-N 2 1 353.492 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087059408 842254601 /nfs/dbraw/zinc/25/46/01/842254601.db2.gz DFYSJARVXKSPGG-BMFZPTHFSA-N 2 1 367.519 0.831 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087062978 842259941 /nfs/dbraw/zinc/25/99/41/842259941.db2.gz CZVZNCNXADCJLD-FVQBIDKESA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087062978 842259944 /nfs/dbraw/zinc/25/99/44/842259944.db2.gz CZVZNCNXADCJLD-FVQBIDKESA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087066648 842262332 /nfs/dbraw/zinc/26/23/32/842262332.db2.gz MZCFMEAMDRCVFR-UKRRQHHQSA-N 2 1 364.475 0.696 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087083422 842276135 /nfs/dbraw/zinc/27/61/35/842276135.db2.gz DQAJFUGGGQLPJL-BFYDXBDKSA-N 2 1 350.463 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087083596 842276216 /nfs/dbraw/zinc/27/62/16/842276216.db2.gz MJZABJWCHRYMSG-SQWLQELKSA-N 2 1 351.451 0.507 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083433 842276577 /nfs/dbraw/zinc/27/65/77/842276577.db2.gz FDCYUYRZERVMIY-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087083433 842276586 /nfs/dbraw/zinc/27/65/86/842276586.db2.gz FDCYUYRZERVMIY-IIAWOOMASA-N 2 1 367.519 0.833 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087100389 842288835 /nfs/dbraw/zinc/28/88/35/842288835.db2.gz QYJSGKGRTNFUQM-ZMSDIMECSA-N 2 1 350.463 0.888 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087828200 842441447 /nfs/dbraw/zinc/44/14/47/842441447.db2.gz DJYOAXIZLWCOEF-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087828200 842441461 /nfs/dbraw/zinc/44/14/61/842441461.db2.gz DJYOAXIZLWCOEF-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087828200 842441467 /nfs/dbraw/zinc/44/14/67/842441467.db2.gz DJYOAXIZLWCOEF-QLFBSQMISA-N 2 1 350.463 0.056 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)[NH+](C)C ZINC001088109433 842534836 /nfs/dbraw/zinc/53/48/36/842534836.db2.gz FHIYJDIJKBAPLH-IKGGRYGDSA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088157715 842546877 /nfs/dbraw/zinc/54/68/77/842546877.db2.gz CVAWIJKIDCKOJQ-OIISXLGYSA-N 2 1 350.507 0.761 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCCN1CCCC1=O ZINC001088981201 842733983 /nfs/dbraw/zinc/73/39/83/842733983.db2.gz HOTFYHJRPIPHTI-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001088981201 842733989 /nfs/dbraw/zinc/73/39/89/842733989.db2.gz HOTFYHJRPIPHTI-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCCN1CCCC1=O ZINC001088981201 842733996 /nfs/dbraw/zinc/73/39/96/842733996.db2.gz HOTFYHJRPIPHTI-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565798 843043456 /nfs/dbraw/zinc/04/34/56/843043456.db2.gz ZQPIGTAIJXAMNH-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565798 843043467 /nfs/dbraw/zinc/04/34/67/843043467.db2.gz ZQPIGTAIJXAMNH-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565798 843043479 /nfs/dbraw/zinc/04/34/79/843043479.db2.gz ZQPIGTAIJXAMNH-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001091565798 843043489 /nfs/dbraw/zinc/04/34/89/843043489.db2.gz ZQPIGTAIJXAMNH-AOIWGVFYSA-N 2 1 351.491 0.524 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CCC1 ZINC001091734972 843084986 /nfs/dbraw/zinc/08/49/86/843084986.db2.gz DLSJXJBXQKFYCC-ZBFHGGJFSA-N 2 1 357.520 0.296 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@]3(C)C2)CCC1 ZINC001091734972 843084998 /nfs/dbraw/zinc/08/49/98/843084998.db2.gz DLSJXJBXQKFYCC-ZBFHGGJFSA-N 2 1 357.520 0.296 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672256 843272104 /nfs/dbraw/zinc/27/21/04/843272104.db2.gz XDKOQHKGBWVSHR-IXDOHACOSA-N 2 1 352.523 0.737 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672256 843272110 /nfs/dbraw/zinc/27/21/10/843272110.db2.gz XDKOQHKGBWVSHR-IXDOHACOSA-N 2 1 352.523 0.737 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672256 843272118 /nfs/dbraw/zinc/27/21/18/843272118.db2.gz XDKOQHKGBWVSHR-IXDOHACOSA-N 2 1 352.523 0.737 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721425 843284909 /nfs/dbraw/zinc/28/49/09/843284909.db2.gz MOTKZPFYLLYKPX-BZUAXINKSA-N 2 1 350.507 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736142 843290617 /nfs/dbraw/zinc/29/06/17/843290617.db2.gz MSPLQJJOQVNQON-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092736142 843290625 /nfs/dbraw/zinc/29/06/25/843290625.db2.gz MSPLQJJOQVNQON-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092736142 843290634 /nfs/dbraw/zinc/29/06/34/843290634.db2.gz MSPLQJJOQVNQON-BZUAXINKSA-N 2 1 351.495 0.180 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225932 843412720 /nfs/dbraw/zinc/41/27/20/843412720.db2.gz VFOHNROIYJQREA-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225932 843412723 /nfs/dbraw/zinc/41/27/23/843412723.db2.gz VFOHNROIYJQREA-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225932 843412729 /nfs/dbraw/zinc/41/27/29/843412729.db2.gz VFOHNROIYJQREA-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225932 843412732 /nfs/dbraw/zinc/41/27/32/843412732.db2.gz VFOHNROIYJQREA-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225931 843413759 /nfs/dbraw/zinc/41/37/59/843413759.db2.gz VFOHNROIYJQREA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225931 843413762 /nfs/dbraw/zinc/41/37/62/843413762.db2.gz VFOHNROIYJQREA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225931 843413765 /nfs/dbraw/zinc/41/37/65/843413765.db2.gz VFOHNROIYJQREA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001093225931 843413768 /nfs/dbraw/zinc/41/37/68/843413768.db2.gz VFOHNROIYJQREA-BZUAXINKSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001093690640 843455589 /nfs/dbraw/zinc/45/55/89/843455589.db2.gz BEJVXGFQRBCYEH-CKEIUWERSA-N 2 1 350.438 0.735 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001093690640 843455594 /nfs/dbraw/zinc/45/55/94/843455594.db2.gz BEJVXGFQRBCYEH-CKEIUWERSA-N 2 1 350.438 0.735 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690691 843456121 /nfs/dbraw/zinc/45/61/21/843456121.db2.gz BWFNAOJSVZPTSA-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690691 843456126 /nfs/dbraw/zinc/45/61/26/843456126.db2.gz BWFNAOJSVZPTSA-VMGRFDJRSA-N 2 1 350.463 0.806 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)C1 ZINC001094232143 843537520 /nfs/dbraw/zinc/53/75/20/843537520.db2.gz MWRIVQLQCJIHDM-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3snnc3C)[C@H](C)C2)C1 ZINC001094232143 843537525 /nfs/dbraw/zinc/53/75/25/843537525.db2.gz MWRIVQLQCJIHDM-YUELXQCFSA-N 2 1 367.519 0.751 20 0 FCADMP CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560021 843561723 /nfs/dbraw/zinc/56/17/23/843561723.db2.gz KKGGIEUTHBOTLC-NVXWUHKLSA-N 2 1 369.531 0.488 20 0 FCADMP CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560021 843561731 /nfs/dbraw/zinc/56/17/31/843561731.db2.gz KKGGIEUTHBOTLC-NVXWUHKLSA-N 2 1 369.531 0.488 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095529378 843737011 /nfs/dbraw/zinc/73/70/11/843737011.db2.gz OHARVSDMBVSMOB-NCOADZHNSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C)C1 ZINC001095529378 843737021 /nfs/dbraw/zinc/73/70/21/843737021.db2.gz OHARVSDMBVSMOB-NCOADZHNSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)C1 ZINC001095529378 843737026 /nfs/dbraw/zinc/73/70/26/843737026.db2.gz OHARVSDMBVSMOB-NCOADZHNSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)C1 ZINC001095529378 843737040 /nfs/dbraw/zinc/73/70/40/843737040.db2.gz OHARVSDMBVSMOB-NCOADZHNSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)O1 ZINC001095611518 843741517 /nfs/dbraw/zinc/74/15/17/843741517.db2.gz SWCOOTYJBJJVRS-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCOCC2)O1 ZINC001095611518 843741527 /nfs/dbraw/zinc/74/15/27/843741527.db2.gz SWCOOTYJBJJVRS-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)O1 ZINC001095611518 843741540 /nfs/dbraw/zinc/74/15/40/843741540.db2.gz SWCOOTYJBJJVRS-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)O1 ZINC001095611518 843741545 /nfs/dbraw/zinc/74/15/45/843741545.db2.gz SWCOOTYJBJJVRS-FWEDZOCSSA-N 2 1 351.491 0.854 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CCC3CC3)CC2)O1 ZINC001098403969 843914385 /nfs/dbraw/zinc/91/43/85/843914385.db2.gz AZEWYMDJJWOODJ-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CCC3CC3)CC2)O1 ZINC001098403969 843914389 /nfs/dbraw/zinc/91/43/89/843914389.db2.gz AZEWYMDJJWOODJ-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](CCO)CCC3CC3)CC2)O1 ZINC001098403969 843914393 /nfs/dbraw/zinc/91/43/93/843914393.db2.gz AZEWYMDJJWOODJ-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](CCO)CCC3CC3)CC2)O1 ZINC001098403969 843914398 /nfs/dbraw/zinc/91/43/98/843914398.db2.gz AZEWYMDJJWOODJ-CRAIPNDOSA-N 2 1 353.507 0.791 20 0 FCADMP CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685209 843929335 /nfs/dbraw/zinc/92/93/35/843929335.db2.gz BPCGYZOLVUCXRL-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685209 843929339 /nfs/dbraw/zinc/92/93/39/843929339.db2.gz BPCGYZOLVUCXRL-VNQPRFMTSA-N 2 1 350.467 0.270 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C(F)(F)F)cn1 ZINC001099223114 843978663 /nfs/dbraw/zinc/97/86/63/843978663.db2.gz FHJBKUIPCIIBIP-MCIONIFRSA-N 2 1 359.396 0.993 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C(F)(F)F)cn1 ZINC001099223114 843978670 /nfs/dbraw/zinc/97/86/70/843978670.db2.gz FHJBKUIPCIIBIP-MCIONIFRSA-N 2 1 359.396 0.993 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)C1 ZINC001099261106 843995171 /nfs/dbraw/zinc/99/51/71/843995171.db2.gz KOFBSNYZORARNL-MGPQQGTHSA-N 2 1 351.413 0.936 20 0 FCADMP C[N@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001099262266 843995574 /nfs/dbraw/zinc/99/55/74/843995574.db2.gz FZPWJZANOIUWEZ-JHJVBQTASA-N 2 1 362.396 0.338 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001099262266 843995578 /nfs/dbraw/zinc/99/55/78/843995578.db2.gz FZPWJZANOIUWEZ-JHJVBQTASA-N 2 1 362.396 0.338 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099262774 843995936 /nfs/dbraw/zinc/99/59/36/843995936.db2.gz JZYVIBGEQTWQPS-GMTAPVOTSA-N 2 1 350.385 0.323 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083620 844697936 /nfs/dbraw/zinc/69/79/36/844697936.db2.gz AIGVVTBGRKWFFO-OAGGEKHMSA-N 2 1 350.507 0.824 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086687 844698646 /nfs/dbraw/zinc/69/86/46/844698646.db2.gz MYJHJKFTUOIWQV-KYJSFNMBSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090243 844699004 /nfs/dbraw/zinc/69/90/04/844699004.db2.gz OTMPRXRLHGMRDQ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090243 844699011 /nfs/dbraw/zinc/69/90/11/844699011.db2.gz OTMPRXRLHGMRDQ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090243 844699017 /nfs/dbraw/zinc/69/90/17/844699017.db2.gz OTMPRXRLHGMRDQ-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185545 844718888 /nfs/dbraw/zinc/71/88/88/844718888.db2.gz CHJJZPSEJQEBEU-BZUAXINKSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375027 844744323 /nfs/dbraw/zinc/74/43/23/844744323.db2.gz VVTJTPHMGLOEGM-OAGGEKHMSA-N 2 1 350.507 0.633 20 0 FCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395605 844751368 /nfs/dbraw/zinc/75/13/68/844751368.db2.gz BWWNGKRRWJDQDL-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C)[NH+](C)C ZINC001103407406 844752664 /nfs/dbraw/zinc/75/26/64/844752664.db2.gz AZOGCSPNDLFTKB-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C)[NH+](C)C ZINC001103407406 844752672 /nfs/dbraw/zinc/75/26/72/844752672.db2.gz AZOGCSPNDLFTKB-BFYDXBDKSA-N 2 1 350.511 0.976 20 0 FCADMP C[C@@H](COCC(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001103448380 844759998 /nfs/dbraw/zinc/75/99/98/844759998.db2.gz JKSAHMXLMXYFNR-FGTMMUONSA-N 2 1 355.523 0.944 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497459 844768747 /nfs/dbraw/zinc/76/87/47/844768747.db2.gz HJCOPZXEEJTICW-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537020 844776210 /nfs/dbraw/zinc/77/62/10/844776210.db2.gz ODBDSHJZCZJBON-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537020 844776214 /nfs/dbraw/zinc/77/62/14/844776214.db2.gz ODBDSHJZCZJBON-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103662643 844796201 /nfs/dbraw/zinc/79/62/01/844796201.db2.gz IBVSOQVAZXCSJC-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103662643 844796207 /nfs/dbraw/zinc/79/62/07/844796207.db2.gz IBVSOQVAZXCSJC-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103662643 844796213 /nfs/dbraw/zinc/79/62/13/844796213.db2.gz IBVSOQVAZXCSJC-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655112 844796528 /nfs/dbraw/zinc/79/65/28/844796528.db2.gz POQQXNWIZFHMID-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103664440 844798110 /nfs/dbraw/zinc/79/81/10/844798110.db2.gz BVJSVNZYFLATCN-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103664440 844798113 /nfs/dbraw/zinc/79/81/13/844798113.db2.gz BVJSVNZYFLATCN-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103664440 844798116 /nfs/dbraw/zinc/79/81/16/844798116.db2.gz BVJSVNZYFLATCN-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718752 844807572 /nfs/dbraw/zinc/80/75/72/844807572.db2.gz DDTBEBMOMXTMBF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718752 844807578 /nfs/dbraw/zinc/80/75/78/844807578.db2.gz DDTBEBMOMXTMBF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718752 844807581 /nfs/dbraw/zinc/80/75/81/844807581.db2.gz DDTBEBMOMXTMBF-BZUAXINKSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723429 844807828 /nfs/dbraw/zinc/80/78/28/844807828.db2.gz JKEWGNYDRWLRDI-IAGOWNOFSA-N 2 1 350.507 0.779 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103723582 844808740 /nfs/dbraw/zinc/80/87/40/844808740.db2.gz RWCCJJMIADWPOV-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103723582 844808749 /nfs/dbraw/zinc/80/87/49/844808749.db2.gz RWCCJJMIADWPOV-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103724810 844808997 /nfs/dbraw/zinc/80/89/97/844808997.db2.gz VEHZOCHZMADEEL-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103724810 844809001 /nfs/dbraw/zinc/80/90/01/844809001.db2.gz VEHZOCHZMADEEL-GDBMZVCRSA-N 2 1 370.519 0.700 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751621 844814826 /nfs/dbraw/zinc/81/48/26/844814826.db2.gz JGTVDPPYKQLLIM-ZACQAIPSSA-N 2 1 350.507 0.825 20 0 FCADMP CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629928 861505525 /nfs/dbraw/zinc/50/55/25/861505525.db2.gz FJFRDGYZHYONBP-APWZRJJASA-N 2 1 350.507 0.668 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001276629943 861505724 /nfs/dbraw/zinc/50/57/24/861505724.db2.gz GSJCAEDGFWJISD-IBGZPJMESA-N 3 1 351.539 0.252 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001276629943 861505727 /nfs/dbraw/zinc/50/57/27/861505727.db2.gz GSJCAEDGFWJISD-IBGZPJMESA-N 2 1 351.539 0.252 20 0 FCADMP CN1CCN(CCC[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001276629943 861505732 /nfs/dbraw/zinc/50/57/32/861505732.db2.gz GSJCAEDGFWJISD-IBGZPJMESA-N 2 1 351.539 0.252 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104290568 844891541 /nfs/dbraw/zinc/89/15/41/844891541.db2.gz CPKGJRMFDUARKY-INMHGKMJSA-N 2 1 350.507 0.953 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104874402 844953683 /nfs/dbraw/zinc/95/36/83/844953683.db2.gz SUAKOGMVPBFWQA-HZPDHXFCSA-N 2 1 361.552 0.837 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104938313 844961603 /nfs/dbraw/zinc/96/16/03/844961603.db2.gz SWTBIVLLJBVERN-HZPDHXFCSA-N 2 1 353.511 0.428 20 0 FCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007657 844968102 /nfs/dbraw/zinc/96/81/02/844968102.db2.gz DBQQCGWQVSMYSN-ZACQAIPSSA-N 2 1 352.523 0.881 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001105064243 844976737 /nfs/dbraw/zinc/97/67/37/844976737.db2.gz FOTPGZHJYAJMIL-RBSFLKMASA-N 2 1 352.479 0.206 20 0 FCADMP CC(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268397 844984127 /nfs/dbraw/zinc/98/41/27/844984127.db2.gz MJJVHCXSGNSTNZ-CZUORRHYSA-N 2 1 350.467 0.126 20 0 FCADMP CC(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268397 844984133 /nfs/dbraw/zinc/98/41/33/844984133.db2.gz MJJVHCXSGNSTNZ-CZUORRHYSA-N 2 1 350.467 0.126 20 0 FCADMP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942089 845064047 /nfs/dbraw/zinc/06/40/47/845064047.db2.gz XTGOOZMXMNKQJL-OAGGEKHMSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C[NH2+]CCCO ZINC001106246727 845143065 /nfs/dbraw/zinc/14/30/65/845143065.db2.gz QBTTWOJGMOTFCM-NUJGCVRESA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106322651 845154091 /nfs/dbraw/zinc/15/40/91/845154091.db2.gz PIFIXHBVCFRCET-OAGGEKHMSA-N 2 1 351.495 0.180 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106357533 845163246 /nfs/dbraw/zinc/16/32/46/845163246.db2.gz CMQPPRZZIGYNLR-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357525 845163331 /nfs/dbraw/zinc/16/33/31/845163331.db2.gz CDKVGYUYHPAESS-ZACQAIPSSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001106672850 845221293 /nfs/dbraw/zinc/22/12/93/845221293.db2.gz MCELCQFBSMFMHD-OAGGEKHMSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874574 845276550 /nfs/dbraw/zinc/27/65/50/845276550.db2.gz LIWBMQODUDPQQZ-IXDOHACOSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106910505 845284897 /nfs/dbraw/zinc/28/48/97/845284897.db2.gz ATVKKYFCQZHIRR-IXDOHACOSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107546974 845395801 /nfs/dbraw/zinc/39/58/01/845395801.db2.gz VRGWTNYKFORHHC-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCS(C)(=O)=O)CC3)C1 ZINC001107546974 845395812 /nfs/dbraw/zinc/39/58/12/845395812.db2.gz VRGWTNYKFORHHC-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107546974 845395820 /nfs/dbraw/zinc/39/58/20/845395820.db2.gz VRGWTNYKFORHHC-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCS(C)(=O)=O)CC3)C1 ZINC001107546974 845395831 /nfs/dbraw/zinc/39/58/31/845395831.db2.gz VRGWTNYKFORHHC-JFIYKMOQSA-N 2 1 371.547 0.734 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629370 845411627 /nfs/dbraw/zinc/41/16/27/845411627.db2.gz BTSMVIAJRRVWAV-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629370 845411632 /nfs/dbraw/zinc/41/16/32/845411632.db2.gz BTSMVIAJRRVWAV-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCS(C)(=O)=O)CC3)C1 ZINC001107629370 845411638 /nfs/dbraw/zinc/41/16/38/845411638.db2.gz BTSMVIAJRRVWAV-LZLYRXPVSA-N 2 1 371.547 0.734 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001109428241 845649708 /nfs/dbraw/zinc/64/97/08/845649708.db2.gz VDXFLQRIFPNAMH-UGUYLWEFSA-N 2 1 351.495 0.319 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001109428241 845649717 /nfs/dbraw/zinc/64/97/17/845649717.db2.gz VDXFLQRIFPNAMH-UGUYLWEFSA-N 2 1 351.495 0.319 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485377 845672108 /nfs/dbraw/zinc/67/21/08/845672108.db2.gz YJXJWSBKUQFARB-IKGGRYGDSA-N 2 1 351.491 0.999 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109654129 845706089 /nfs/dbraw/zinc/70/60/89/845706089.db2.gz XYRXPQTVXNYHBR-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109654129 845706093 /nfs/dbraw/zinc/70/60/93/845706093.db2.gz XYRXPQTVXNYHBR-YVSFHVDLSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)(C)C ZINC001109674053 845712673 /nfs/dbraw/zinc/71/26/73/845712673.db2.gz YRWNMPWJDFEUIL-ILXRZTDVSA-N 2 1 353.511 0.757 20 0 FCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001109674053 845712676 /nfs/dbraw/zinc/71/26/76/845712676.db2.gz YRWNMPWJDFEUIL-ILXRZTDVSA-N 2 1 353.511 0.757 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109798233 845737877 /nfs/dbraw/zinc/73/78/77/845737877.db2.gz AVZRMDJYRYKGFH-OWSLCNJRSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109798233 845737888 /nfs/dbraw/zinc/73/78/88/845737888.db2.gz AVZRMDJYRYKGFH-OWSLCNJRSA-N 2 1 353.507 0.980 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109798233 845737892 /nfs/dbraw/zinc/73/78/92/845737892.db2.gz AVZRMDJYRYKGFH-OWSLCNJRSA-N 2 1 353.507 0.980 20 0 FCADMP CCS(=O)(=O)CC[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001276773033 861601435 /nfs/dbraw/zinc/60/14/35/861601435.db2.gz VELWYAUBNGRTNM-UHFFFAOYSA-N 2 1 359.536 0.687 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975956 845770430 /nfs/dbraw/zinc/77/04/30/845770430.db2.gz LQRVAANXCYOEFI-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975956 845770431 /nfs/dbraw/zinc/77/04/31/845770431.db2.gz LQRVAANXCYOEFI-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975956 845770438 /nfs/dbraw/zinc/77/04/38/845770438.db2.gz LQRVAANXCYOEFI-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975956 845770443 /nfs/dbraw/zinc/77/04/43/845770443.db2.gz LQRVAANXCYOEFI-YVSFHVDLSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110007393 845774372 /nfs/dbraw/zinc/77/43/72/845774372.db2.gz UNOAMGVKUOMWQQ-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110007393 845774374 /nfs/dbraw/zinc/77/43/74/845774374.db2.gz UNOAMGVKUOMWQQ-NCOADZHNSA-N 2 1 371.547 0.875 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103449 845792155 /nfs/dbraw/zinc/79/21/55/845792155.db2.gz VCEBGEPVFVLILL-BDXSIMOUSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103449 845792159 /nfs/dbraw/zinc/79/21/59/845792159.db2.gz VCEBGEPVFVLILL-BDXSIMOUSA-N 2 1 353.507 0.837 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159795 845809312 /nfs/dbraw/zinc/80/93/12/845809312.db2.gz WZUHUZRQUTVVAA-NCOADZHNSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159795 845809313 /nfs/dbraw/zinc/80/93/13/845809313.db2.gz WZUHUZRQUTVVAA-NCOADZHNSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159795 845809318 /nfs/dbraw/zinc/80/93/18/845809318.db2.gz WZUHUZRQUTVVAA-NCOADZHNSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569450 845920448 /nfs/dbraw/zinc/92/04/48/845920448.db2.gz OBPNYAMRDCCUGG-XDNAFOTISA-N 2 1 351.491 0.713 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001110736659 845963726 /nfs/dbraw/zinc/96/37/26/845963726.db2.gz HEMWMVNHDKLRMC-MQYQWHSLSA-N 2 1 350.463 0.243 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCC(=O)NC1=O ZINC001110736659 845963734 /nfs/dbraw/zinc/96/37/34/845963734.db2.gz HEMWMVNHDKLRMC-MQYQWHSLSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110736659 845963739 /nfs/dbraw/zinc/96/37/39/845963739.db2.gz HEMWMVNHDKLRMC-MQYQWHSLSA-N 2 1 350.463 0.243 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110736659 845963749 /nfs/dbraw/zinc/96/37/49/845963749.db2.gz HEMWMVNHDKLRMC-MQYQWHSLSA-N 2 1 350.463 0.243 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001111234247 846065647 /nfs/dbraw/zinc/06/56/47/846065647.db2.gz DPVPZTOPTBNZFL-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001111234247 846065652 /nfs/dbraw/zinc/06/56/52/846065652.db2.gz DPVPZTOPTBNZFL-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001111234247 846065660 /nfs/dbraw/zinc/06/56/60/846065660.db2.gz DPVPZTOPTBNZFL-OAGGEKHMSA-N 2 1 374.551 0.331 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001111408050 846099224 /nfs/dbraw/zinc/09/92/24/846099224.db2.gz GNKKLFWMZXRWPB-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001111408050 846099228 /nfs/dbraw/zinc/09/92/28/846099228.db2.gz GNKKLFWMZXRWPB-TVFCKZIOSA-N 2 1 351.491 0.999 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466475 846117400 /nfs/dbraw/zinc/11/74/00/846117400.db2.gz WZUHUZRQUTVVAA-TWMKSMIVSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466475 846117402 /nfs/dbraw/zinc/11/74/02/846117402.db2.gz WZUHUZRQUTVVAA-TWMKSMIVSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466475 846117404 /nfs/dbraw/zinc/11/74/04/846117404.db2.gz WZUHUZRQUTVVAA-TWMKSMIVSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[NH+]1CCCC1 ZINC001111467354 846118394 /nfs/dbraw/zinc/11/83/94/846118394.db2.gz GQNGUYKNJFSUKP-BDXSIMOUSA-N 2 1 353.507 0.837 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466476 846118579 /nfs/dbraw/zinc/11/85/79/846118579.db2.gz WZUHUZRQUTVVAA-VQHPVUNQSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466476 846118584 /nfs/dbraw/zinc/11/85/84/846118584.db2.gz WZUHUZRQUTVVAA-VQHPVUNQSA-N 2 1 357.495 0.072 20 0 FCADMP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466476 846118593 /nfs/dbraw/zinc/11/85/93/846118593.db2.gz WZUHUZRQUTVVAA-VQHPVUNQSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCNC(=O)CC1 ZINC001111466495 846118675 /nfs/dbraw/zinc/11/86/75/846118675.db2.gz XMOFWMKUQMINFP-HZMVEIRTSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111466495 846118681 /nfs/dbraw/zinc/11/86/81/846118681.db2.gz XMOFWMKUQMINFP-HZMVEIRTSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001111466495 846118685 /nfs/dbraw/zinc/11/86/85/846118685.db2.gz XMOFWMKUQMINFP-HZMVEIRTSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778941 846202148 /nfs/dbraw/zinc/20/21/48/846202148.db2.gz PTBWURVTWYDAGJ-VCBZYWHSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778941 846202158 /nfs/dbraw/zinc/20/21/58/846202158.db2.gz PTBWURVTWYDAGJ-VCBZYWHSSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778941 846202164 /nfs/dbraw/zinc/20/21/64/846202164.db2.gz PTBWURVTWYDAGJ-VCBZYWHSSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2)[NH+](C)C ZINC001111788934 846206441 /nfs/dbraw/zinc/20/64/41/846206441.db2.gz PXQNBZMQVXGPHL-FCEWJHQRSA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCC[C@@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276848394 861652655 /nfs/dbraw/zinc/65/26/55/861652655.db2.gz BHQLNSXWCURWFA-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276848394 861652657 /nfs/dbraw/zinc/65/26/57/861652657.db2.gz BHQLNSXWCURWFA-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[N@H+]1CCC[C@@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276848394 861652659 /nfs/dbraw/zinc/65/26/59/861652659.db2.gz BHQLNSXWCURWFA-LJQANCHMSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001111857945 846233770 /nfs/dbraw/zinc/23/37/70/846233770.db2.gz GSKGKLQOIZIOMA-BQFCYCMXSA-N 2 1 371.547 0.734 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111858211 846233792 /nfs/dbraw/zinc/23/37/92/846233792.db2.gz UFTMRDZXMFCJLP-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905961 846255046 /nfs/dbraw/zinc/25/50/46/846255046.db2.gz OGIRAWOTEDXYKL-AOIWGVFYSA-N 2 1 353.507 0.840 20 0 FCADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905961 846255050 /nfs/dbraw/zinc/25/50/50/846255050.db2.gz OGIRAWOTEDXYKL-AOIWGVFYSA-N 2 1 353.507 0.840 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111910321 846257269 /nfs/dbraw/zinc/25/72/69/846257269.db2.gz UEVWQDWBXILAPS-DEYYWGMASA-N 2 1 350.463 0.104 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCC(F)F)C2 ZINC001111939647 846269212 /nfs/dbraw/zinc/26/92/12/846269212.db2.gz KVDLLAPSAXLUHG-YOEHRIQHSA-N 2 1 363.449 0.817 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001111947476 846271729 /nfs/dbraw/zinc/27/17/29/846271729.db2.gz KXMRTGIFSBRHCN-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111984826 846283220 /nfs/dbraw/zinc/28/32/20/846283220.db2.gz QBYKTRRAVRXBCO-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111984826 846283231 /nfs/dbraw/zinc/28/32/31/846283231.db2.gz QBYKTRRAVRXBCO-LNLFQRSKSA-N 2 1 353.507 0.962 20 0 FCADMP CCOCC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276874699 861663713 /nfs/dbraw/zinc/66/37/13/861663713.db2.gz OLNOGRYNUKMUJS-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP CCOCC[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276874699 861663720 /nfs/dbraw/zinc/66/37/20/861663720.db2.gz OLNOGRYNUKMUJS-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP CCOCC[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276874699 861663729 /nfs/dbraw/zinc/66/37/29/861663729.db2.gz OLNOGRYNUKMUJS-LJQANCHMSA-N 2 1 352.523 0.585 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112110455 846388361 /nfs/dbraw/zinc/38/83/61/846388361.db2.gz QBMYAOOKMWEVIJ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112110455 846388375 /nfs/dbraw/zinc/38/83/75/846388375.db2.gz QBMYAOOKMWEVIJ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113085 846392598 /nfs/dbraw/zinc/39/25/98/846392598.db2.gz CIRMJLAQSMRTEU-VXGBXAGGSA-N 2 1 364.412 0.538 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116183 846393830 /nfs/dbraw/zinc/39/38/30/846393830.db2.gz PDLCZEGMLHGAOW-CHWSQXEVSA-N 2 1 364.412 0.538 20 0 FCADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116183 846393848 /nfs/dbraw/zinc/39/38/48/846393848.db2.gz PDLCZEGMLHGAOW-CHWSQXEVSA-N 2 1 364.412 0.538 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116178 846394420 /nfs/dbraw/zinc/39/44/20/846394420.db2.gz ORTUBXWEHBXADX-RAIGVLPGSA-N 2 1 364.412 0.584 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116178 846394430 /nfs/dbraw/zinc/39/44/30/846394430.db2.gz ORTUBXWEHBXADX-RAIGVLPGSA-N 2 1 364.412 0.584 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116211 846395086 /nfs/dbraw/zinc/39/50/86/846395086.db2.gz QPEBQNUODLYAAS-BFHYXJOUSA-N 2 1 367.412 0.457 20 0 FCADMP CCOC(=O)CCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276888346 861672398 /nfs/dbraw/zinc/67/23/98/861672398.db2.gz ABPJQMRJCAAQAU-GOSISDBHSA-N 2 1 355.479 0.585 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001112120325 846398208 /nfs/dbraw/zinc/39/82/08/846398208.db2.gz OPEZMOQEAOQBFA-IJLUTSLNSA-N 2 1 352.401 0.394 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001112120495 846398958 /nfs/dbraw/zinc/39/89/58/846398958.db2.gz XAHSECWEUGGZFQ-JHJVBQTASA-N 2 1 366.428 0.784 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112121381 846400441 /nfs/dbraw/zinc/40/04/41/846400441.db2.gz KFKAZJFWHUZRMJ-AAVRWANBSA-N 2 1 367.412 0.721 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112121381 846400449 /nfs/dbraw/zinc/40/04/49/846400449.db2.gz KFKAZJFWHUZRMJ-AAVRWANBSA-N 2 1 367.412 0.721 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001112164792 846428159 /nfs/dbraw/zinc/42/81/59/846428159.db2.gz RTBWXNXNGIRCLE-IJLUTSLNSA-N 2 1 352.401 0.571 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194263 846452586 /nfs/dbraw/zinc/45/25/86/846452586.db2.gz VNBFTFKLJKNTFX-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194263 846452591 /nfs/dbraw/zinc/45/25/91/846452591.db2.gz VNBFTFKLJKNTFX-YNEHKIRRSA-N 2 1 364.412 0.443 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112196366 846455374 /nfs/dbraw/zinc/45/53/74/846455374.db2.gz GBUVRLNNBFCDPS-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112196366 846455382 /nfs/dbraw/zinc/45/53/82/846455382.db2.gz GBUVRLNNBFCDPS-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112198182 846456727 /nfs/dbraw/zinc/45/67/27/846456727.db2.gz GBBQXGJNBZFWPA-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112198182 846456730 /nfs/dbraw/zinc/45/67/30/846456730.db2.gz GBBQXGJNBZFWPA-CHWSQXEVSA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112198361 846456863 /nfs/dbraw/zinc/45/68/63/846456863.db2.gz QHZJOWIWXWGFJM-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112198361 846456869 /nfs/dbraw/zinc/45/68/69/846456869.db2.gz QHZJOWIWXWGFJM-QJPTWQEYSA-N 2 1 352.401 0.442 20 0 FCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212197 846469047 /nfs/dbraw/zinc/46/90/47/846469047.db2.gz RXJOOHKYEPXYNM-ZIAGYGMSSA-N 2 1 369.428 0.969 20 0 FCADMP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401683 846500715 /nfs/dbraw/zinc/50/07/15/846500715.db2.gz SDZWGNWRBUPISE-WDYCEAGBSA-N 2 1 353.507 0.696 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112396843 846500818 /nfs/dbraw/zinc/50/08/18/846500818.db2.gz GYUQPEQDOVLOSS-BXWFABGCSA-N 2 1 350.507 0.953 20 0 FCADMP C[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112442143 846504845 /nfs/dbraw/zinc/50/48/45/846504845.db2.gz MDGMKKJEPFDQPM-GLJUWKHASA-N 2 1 350.463 0.949 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470141 846508070 /nfs/dbraw/zinc/50/80/70/846508070.db2.gz DSMZMJGMDGFLIJ-BQFCYCMXSA-N 2 1 350.463 0.417 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112510945 846511691 /nfs/dbraw/zinc/51/16/91/846511691.db2.gz LXLMOTQZQIIGNT-DWRORGKVSA-N 2 1 353.507 0.696 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112567290 846526083 /nfs/dbraw/zinc/52/60/83/846526083.db2.gz HFQDVDBCTVOYFQ-RDJZCZTQSA-N 2 1 359.536 0.591 20 0 FCADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276974722 861719960 /nfs/dbraw/zinc/71/99/60/861719960.db2.gz ZBUJNNMVTROREW-RCCFBDPRSA-N 2 1 352.523 0.318 20 0 FCADMP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276974722 861719969 /nfs/dbraw/zinc/71/99/69/861719969.db2.gz ZBUJNNMVTROREW-RCCFBDPRSA-N 2 1 352.523 0.318 20 0 FCADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276974722 861719975 /nfs/dbraw/zinc/71/99/75/861719975.db2.gz ZBUJNNMVTROREW-RCCFBDPRSA-N 2 1 352.523 0.318 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccco1 ZINC001116968091 846822790 /nfs/dbraw/zinc/82/27/90/846822790.db2.gz MRBRFTVKMRCUTQ-SOUVJXGZSA-N 2 1 350.463 0.988 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC001117477929 847038863 /nfs/dbraw/zinc/03/88/63/847038863.db2.gz SXBZKAHZGOSCNM-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP NC(=O)c1cn(CCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC001118387435 847409252 /nfs/dbraw/zinc/40/92/52/847409252.db2.gz QWDZKCADBMIUQP-OAHLLOKOSA-N 2 1 350.467 0.390 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001277246572 861803248 /nfs/dbraw/zinc/80/32/48/861803248.db2.gz AUHCRUXBAILWPL-HNNXBMFYSA-N 2 1 351.495 0.134 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC001119412346 847836024 /nfs/dbraw/zinc/83/60/24/847836024.db2.gz UKRFSRHESZZXFS-BZUAXINKSA-N 2 1 354.495 0.189 20 0 FCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC001120590640 848249256 /nfs/dbraw/zinc/24/92/56/848249256.db2.gz PJILSDFPJZOUJQ-UKRRQHHQSA-N 2 1 359.264 0.845 20 0 FCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC001120590640 848249259 /nfs/dbraw/zinc/24/92/59/848249259.db2.gz PJILSDFPJZOUJQ-UKRRQHHQSA-N 2 1 359.264 0.845 20 0 FCADMP Cc1nc(F)ccc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277474890 861894481 /nfs/dbraw/zinc/89/44/81/861894481.db2.gz SDQHHBCNLJAGIQ-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1nc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277474890 861894504 /nfs/dbraw/zinc/89/45/04/861894504.db2.gz SDQHHBCNLJAGIQ-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP C[N@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)C1 ZINC001121910016 848413413 /nfs/dbraw/zinc/41/34/13/848413413.db2.gz GHYUGWYGLDVJFZ-LLVKDONJSA-N 2 1 357.252 0.394 20 0 FCADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1C[NH2+]CCN1C ZINC001121945358 848422559 /nfs/dbraw/zinc/42/25/59/848422559.db2.gz IVLBNQKNPVHPOP-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127644291 848730284 /nfs/dbraw/zinc/73/02/84/848730284.db2.gz YOFLSTRDNSIMJT-GDBMZVCRSA-N 2 1 350.463 0.592 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc2cccs2)CC[N@H+]1C ZINC001127660332 848731481 /nfs/dbraw/zinc/73/14/81/848731481.db2.gz WGMCMJRNGQLCGR-UKRRQHHQSA-N 2 1 352.504 0.753 20 0 FCADMP Cc1csc2nc(C[NH2+]CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc(=O)n12 ZINC001127691059 848732231 /nfs/dbraw/zinc/73/22/31/848732231.db2.gz ZSLHESRBRHNWKJ-TZMCWYRMSA-N 2 1 363.487 0.610 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127701693 848732966 /nfs/dbraw/zinc/73/29/66/848732966.db2.gz WBTGHJBCNPYXPL-QWHCGFSZSA-N 2 1 355.483 0.047 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829731 848778131 /nfs/dbraw/zinc/77/81/31/848778131.db2.gz JDDQNPPPYWCYNR-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829731 848778135 /nfs/dbraw/zinc/77/81/35/848778135.db2.gz JDDQNPPPYWCYNR-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829731 848778144 /nfs/dbraw/zinc/77/81/44/848778144.db2.gz JDDQNPPPYWCYNR-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001128829731 848778152 /nfs/dbraw/zinc/77/81/52/848778152.db2.gz JDDQNPPPYWCYNR-PMPSAXMXSA-N 2 1 352.458 0.854 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129370743 848835447 /nfs/dbraw/zinc/83/54/47/848835447.db2.gz ZYONNMRLGNVOPM-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129370743 848835450 /nfs/dbraw/zinc/83/54/50/848835450.db2.gz ZYONNMRLGNVOPM-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129370743 848835451 /nfs/dbraw/zinc/83/54/51/848835451.db2.gz ZYONNMRLGNVOPM-CVEARBPZSA-N 2 1 352.483 0.388 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837566 848902061 /nfs/dbraw/zinc/90/20/61/848902061.db2.gz FQYZBCQOJIYMHN-OAGGEKHMSA-N 2 1 350.467 0.139 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130011939 848930602 /nfs/dbraw/zinc/93/06/02/848930602.db2.gz GEZBPKSZRFBMNX-MBUOFHJJSA-N 2 1 352.870 0.856 20 0 FCADMP O=C(N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001130105051 848945355 /nfs/dbraw/zinc/94/53/55/848945355.db2.gz IGVGEQPUPKOWOZ-VYDXJSESSA-N 2 1 350.442 0.465 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2F)O1 ZINC001130184526 848963263 /nfs/dbraw/zinc/96/32/63/848963263.db2.gz UNJIGHWDALUPDB-XFBWCDHKSA-N 2 1 357.401 0.423 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2F)O1 ZINC001130184526 848963269 /nfs/dbraw/zinc/96/32/69/848963269.db2.gz UNJIGHWDALUPDB-XFBWCDHKSA-N 2 1 357.401 0.423 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130232168 848981740 /nfs/dbraw/zinc/98/17/40/848981740.db2.gz BBXSNVJPXABPKF-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP C[NH+](C)CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130232168 848981744 /nfs/dbraw/zinc/98/17/44/848981744.db2.gz BBXSNVJPXABPKF-STQMWFEESA-N 2 1 356.446 0.194 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249051 848987406 /nfs/dbraw/zinc/98/74/06/848987406.db2.gz HOMHLVMVSIBHFV-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001130249051 848987412 /nfs/dbraw/zinc/98/74/12/848987412.db2.gz HOMHLVMVSIBHFV-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001130249051 848987415 /nfs/dbraw/zinc/98/74/15/848987415.db2.gz HOMHLVMVSIBHFV-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249051 848987420 /nfs/dbraw/zinc/98/74/20/848987420.db2.gz HOMHLVMVSIBHFV-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249051 848987424 /nfs/dbraw/zinc/98/74/24/848987424.db2.gz HOMHLVMVSIBHFV-IHRRRGAJSA-N 2 1 350.467 0.245 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130817448 849048571 /nfs/dbraw/zinc/04/85/71/849048571.db2.gz OHHDCVYOQSRUSQ-FRRDWIJNSA-N 2 1 354.430 0.152 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130817448 849048575 /nfs/dbraw/zinc/04/85/75/849048575.db2.gz OHHDCVYOQSRUSQ-FRRDWIJNSA-N 2 1 354.430 0.152 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130817448 849048577 /nfs/dbraw/zinc/04/85/77/849048577.db2.gz OHHDCVYOQSRUSQ-FRRDWIJNSA-N 2 1 354.430 0.152 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC001131061840 849075988 /nfs/dbraw/zinc/07/59/88/849075988.db2.gz OEBWRWJFTLFHHY-ZIAGYGMSSA-N 2 1 363.491 0.308 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131519112 849117333 /nfs/dbraw/zinc/11/73/33/849117333.db2.gz FXYZHJVJDBCQIB-SQNIBIBYSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnsn2)CC1 ZINC001131564905 849124183 /nfs/dbraw/zinc/12/41/83/849124183.db2.gz XDPPPUHFCGMFHR-WBVHZDCISA-N 2 1 367.519 0.976 20 0 FCADMP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131592958 849128700 /nfs/dbraw/zinc/12/87/00/849128700.db2.gz FBOIQUGWIGUDHO-SUMDDJOVSA-N 2 1 353.507 0.960 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC001277694501 862002023 /nfs/dbraw/zinc/00/20/23/862002023.db2.gz JZMJSZUGQIIHQO-JSGCOSHPSA-N 2 1 353.385 0.022 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC001277694501 862002032 /nfs/dbraw/zinc/00/20/32/862002032.db2.gz JZMJSZUGQIIHQO-JSGCOSHPSA-N 2 1 353.385 0.022 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCOCC3CC3)CCCO2)CC[N@H+]1C ZINC001149733806 849645037 /nfs/dbraw/zinc/64/50/37/849645037.db2.gz NMTJENJGBRTYEQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCOCC3CC3)CCCO2)CC[NH+]1C ZINC001149733806 849645047 /nfs/dbraw/zinc/64/50/47/849645047.db2.gz NMTJENJGBRTYEQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCOCC3CC3)CCCO2)CC[NH+]1C ZINC001149733806 849645055 /nfs/dbraw/zinc/64/50/55/849645055.db2.gz NMTJENJGBRTYEQ-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734095 849646569 /nfs/dbraw/zinc/64/65/69/849646569.db2.gz SSDOSBSOKGPNES-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734095 849646576 /nfs/dbraw/zinc/64/65/76/849646576.db2.gz SSDOSBSOKGPNES-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734095 849646579 /nfs/dbraw/zinc/64/65/79/849646579.db2.gz SSDOSBSOKGPNES-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)NC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734095 849646583 /nfs/dbraw/zinc/64/65/83/849646583.db2.gz SSDOSBSOKGPNES-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cnc(C)[nH]3)C2)C1=O)OC ZINC001277732702 862044055 /nfs/dbraw/zinc/04/40/55/862044055.db2.gz HRLFUYWEKWIXSW-KRWDZBQOSA-N 2 1 350.419 0.678 20 0 FCADMP COC(CN1C(=O)C[C@]2(CCCN(Cc3c[nH]c(C)n3)C2)C1=O)OC ZINC001277732702 862044065 /nfs/dbraw/zinc/04/40/65/862044065.db2.gz HRLFUYWEKWIXSW-KRWDZBQOSA-N 2 1 350.419 0.678 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001151138017 849679371 /nfs/dbraw/zinc/67/93/71/849679371.db2.gz QDDUUWUTZZOIQK-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001151138017 849679377 /nfs/dbraw/zinc/67/93/77/849679377.db2.gz QDDUUWUTZZOIQK-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP CC[N@@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001154020945 849774588 /nfs/dbraw/zinc/77/45/88/849774588.db2.gz VCWSDOFOOKHMHJ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020945 849774600 /nfs/dbraw/zinc/77/46/00/849774600.db2.gz VCWSDOFOOKHMHJ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[N@@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020945 849774611 /nfs/dbraw/zinc/77/46/11/849774611.db2.gz VCWSDOFOOKHMHJ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154020945 849774629 /nfs/dbraw/zinc/77/46/29/849774629.db2.gz VCWSDOFOOKHMHJ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154020945 849774643 /nfs/dbraw/zinc/77/46/43/849774643.db2.gz VCWSDOFOOKHMHJ-BZUAXINKSA-N 2 1 354.495 0.155 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc(CF)n3)C2)OCC1=O ZINC001277768284 862059733 /nfs/dbraw/zinc/05/97/33/862059733.db2.gz JJLJOADJSRFGSU-SFHVURJKSA-N 2 1 350.438 0.916 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc(CF)n3)C2)OCC1=O ZINC001277768284 862059748 /nfs/dbraw/zinc/05/97/48/862059748.db2.gz JJLJOADJSRFGSU-SFHVURJKSA-N 2 1 350.438 0.916 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001157303409 849961137 /nfs/dbraw/zinc/96/11/37/849961137.db2.gz GZHSUUZPRDYJJW-GJZGRUSLSA-N 2 1 353.467 0.496 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778926 862075985 /nfs/dbraw/zinc/07/59/85/862075985.db2.gz VEQNWNGJKMOZDO-SJLPKXTDSA-N 2 1 357.495 0.029 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627008 849985586 /nfs/dbraw/zinc/98/55/86/849985586.db2.gz LDXOXTDTQOBSQW-INIZCTEOSA-N 2 1 355.479 0.618 20 0 FCADMP CCS(=O)(=O)N(c1ccnc(N2CC[NH+](C)CC2)n1)C1CC[NH2+]CC1 ZINC001157898729 850003245 /nfs/dbraw/zinc/00/32/45/850003245.db2.gz SVIQBKPNUFWJQV-UHFFFAOYSA-N 2 1 368.507 0.137 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001158379608 850041216 /nfs/dbraw/zinc/04/12/16/850041216.db2.gz DSNPVYZZAYAHOQ-ZIAGYGMSSA-N 2 1 351.499 0.407 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC)CC[N@H+]1C ZINC001158411334 850048007 /nfs/dbraw/zinc/04/80/07/850048007.db2.gz CRIVEKLLKXEEHS-HRCADAONSA-N 2 1 356.511 0.354 20 0 FCADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159219829 850101482 /nfs/dbraw/zinc/10/14/82/850101482.db2.gz JOAHJBXCGSPUCH-WMLDXEAASA-N 2 1 350.488 0.879 20 0 FCADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667478 850128291 /nfs/dbraw/zinc/12/82/91/850128291.db2.gz UNWWJXBVSNKQNM-ILXRZTDVSA-N 2 1 354.401 0.866 20 0 FCADMP CCOC(=O)C1=C(O)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160427677 850172341 /nfs/dbraw/zinc/17/23/41/850172341.db2.gz LVNYFUISTYGOBP-ZIAGYGMSSA-N 2 1 351.447 0.231 20 0 FCADMP [NH3+]C[C@]1(Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C[NH+]2CCC1CC2 ZINC001160519948 850178991 /nfs/dbraw/zinc/17/89/91/850178991.db2.gz OAVPSDWPFXZKRJ-KRWDZBQOSA-N 2 1 365.503 0.701 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)O1 ZINC001160857746 850206922 /nfs/dbraw/zinc/20/69/22/850206922.db2.gz OPEKZSNMKFLKMH-KBRIMQKVSA-N 2 1 353.438 0.674 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)O1 ZINC001160857746 850206928 /nfs/dbraw/zinc/20/69/28/850206928.db2.gz OPEKZSNMKFLKMH-KBRIMQKVSA-N 2 1 353.438 0.674 20 0 FCADMP Cc1csc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160862557 850208590 /nfs/dbraw/zinc/20/85/90/850208590.db2.gz RBSYXSRLGCFIDP-CHWSQXEVSA-N 2 1 369.491 0.205 20 0 FCADMP Cc1csc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160862557 850208597 /nfs/dbraw/zinc/20/85/97/850208597.db2.gz RBSYXSRLGCFIDP-CHWSQXEVSA-N 2 1 369.491 0.205 20 0 FCADMP C[NH+]1CCC(Oc2cc[nH+]c(NCCN(CC[NH3+])N(O)N=O)c2)CC1 ZINC001161095748 850230758 /nfs/dbraw/zinc/23/07/58/850230758.db2.gz HUEFVOUGVIUICR-UHFFFAOYSA-N 3 1 353.427 0.515 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(c1cc(OC)ccn1)C1CC[NH2+]CC1 ZINC001161387651 850256832 /nfs/dbraw/zinc/25/68/32/850256832.db2.gz DNZXSTUWGDSDKI-AWEZNQCLSA-N 2 1 350.419 0.456 20 0 FCADMP CCC(CC)[C@@H](Nc1cc[nH+]c(N)n1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001161917007 850289995 /nfs/dbraw/zinc/28/99/95/850289995.db2.gz HMHJPZAEDWGGQO-PWRGDLIESA-N 2 1 351.451 0.773 20 0 FCADMP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001167673832 850551972 /nfs/dbraw/zinc/55/19/72/850551972.db2.gz GNFXIIURJGRITN-UHFFFAOYSA-N 2 1 361.471 0.645 20 0 FCADMP COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965502 850565651 /nfs/dbraw/zinc/56/56/51/850565651.db2.gz IDRVTXWKMKMFPG-UYTSQGDYSA-N 2 1 351.495 0.786 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965502 850565655 /nfs/dbraw/zinc/56/56/55/850565655.db2.gz IDRVTXWKMKMFPG-UYTSQGDYSA-N 3 1 351.495 0.786 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965502 850565660 /nfs/dbraw/zinc/56/56/60/850565660.db2.gz IDRVTXWKMKMFPG-UYTSQGDYSA-N 3 1 351.495 0.786 20 0 FCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NS(=O)(=O)c1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001169125768 850605673 /nfs/dbraw/zinc/60/56/73/850605673.db2.gz KZAAWHSCBMCZAM-XGBSXSJOSA-N 2 1 364.515 1.000 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169133386 850607368 /nfs/dbraw/zinc/60/73/68/850607368.db2.gz FJYJUABIYWSGFH-GJGATLCTSA-N 2 1 351.491 0.665 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169133386 850607375 /nfs/dbraw/zinc/60/73/75/850607375.db2.gz FJYJUABIYWSGFH-GJGATLCTSA-N 2 1 351.491 0.665 20 0 FCADMP CN(C)C(=O)COC[C@]12COC[C@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169133386 850607383 /nfs/dbraw/zinc/60/73/83/850607383.db2.gz FJYJUABIYWSGFH-GJGATLCTSA-N 2 1 351.491 0.665 20 0 FCADMP [NH3+]CCOCCOCCNc1[nH+]c(N2CCOCC2)nc2[nH]ccc21 ZINC001170504644 850655620 /nfs/dbraw/zinc/65/56/20/850655620.db2.gz DGEOJMRKMPFGAX-UHFFFAOYSA-N 2 1 350.423 0.198 20 0 FCADMP Nc1[nH+]c(NCCOCCOCC[NH3+])ccc1I ZINC001170507385 850656448 /nfs/dbraw/zinc/65/64/48/850656448.db2.gz JDCRUQCWKSFBGO-UHFFFAOYSA-N 2 1 366.203 0.672 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501565 850686850 /nfs/dbraw/zinc/68/68/50/850686850.db2.gz TWVSUPWKKNYNHF-SQWLQELKSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501565 850686855 /nfs/dbraw/zinc/68/68/55/850686855.db2.gz TWVSUPWKKNYNHF-SQWLQELKSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500284 850687303 /nfs/dbraw/zinc/68/73/03/850687303.db2.gz KDBINMDTOHPMKR-SQWLQELKSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500284 850687307 /nfs/dbraw/zinc/68/73/07/850687307.db2.gz KDBINMDTOHPMKR-SQWLQELKSA-N 2 1 352.483 0.299 20 0 FCADMP CN1[C@H]2COC[C@@H]1CC([NH+]1CCC(C(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001172139047 850706352 /nfs/dbraw/zinc/70/63/52/850706352.db2.gz LWFSXILMHATLGX-AYHJJNSGSA-N 2 1 350.507 0.334 20 0 FCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN(CCC[NH+](C)C)CC2)C[C@@H]1C(=O)OC ZINC001173582504 850729830 /nfs/dbraw/zinc/72/98/30/850729830.db2.gz LXQJZIBJXRFYSA-PHZGNYQRSA-N 2 1 355.479 0.297 20 0 FCADMP Cc1ncc(F)cc1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001278021219 862169273 /nfs/dbraw/zinc/16/92/73/862169273.db2.gz PLGXPBBEXSPUNL-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP Cc1ncc(F)cc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001278021219 862169287 /nfs/dbraw/zinc/16/92/87/862169287.db2.gz PLGXPBBEXSPUNL-GOSISDBHSA-N 2 1 350.438 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001178523347 850905425 /nfs/dbraw/zinc/90/54/25/850905425.db2.gz WEOCUBQRGVTIBX-LSDHHAIUSA-N 2 1 351.499 0.707 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCS(C)(=O)=O)O1 ZINC001178810898 850932175 /nfs/dbraw/zinc/93/21/75/850932175.db2.gz NQPYDOZUCRCCFF-HUUCEWRRSA-N 2 1 363.524 0.016 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCCCC[NH2+]CCS(C)(=O)=O)O1 ZINC001178810898 850932181 /nfs/dbraw/zinc/93/21/81/850932181.db2.gz NQPYDOZUCRCCFF-HUUCEWRRSA-N 2 1 363.524 0.016 20 0 FCADMP C[NH+]1CCN(CC(=O)NCCCP(CCC[NH3+])c2ccccc2)CC1 ZINC001178955830 850942063 /nfs/dbraw/zinc/94/20/63/850942063.db2.gz DNMPULKIBNDMLM-UHFFFAOYSA-N 2 1 364.474 0.896 20 0 FCADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182314338 851169081 /nfs/dbraw/zinc/16/90/81/851169081.db2.gz GSAGVIHPPLOVIW-MRXNPFEDSA-N 2 1 353.488 0.954 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001185250462 851345360 /nfs/dbraw/zinc/34/53/60/851345360.db2.gz GREYRHZUYDHGNX-HOTGVXAUSA-N 2 1 352.523 0.770 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001186037172 851407201 /nfs/dbraw/zinc/40/72/01/851407201.db2.gz FUVHADNLCGZQHN-ZHALLVOQSA-N 2 1 351.491 0.260 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186037172 851407211 /nfs/dbraw/zinc/40/72/11/851407211.db2.gz FUVHADNLCGZQHN-ZHALLVOQSA-N 2 1 351.491 0.260 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186037172 851407221 /nfs/dbraw/zinc/40/72/21/851407221.db2.gz FUVHADNLCGZQHN-ZHALLVOQSA-N 2 1 351.491 0.260 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001189110552 851752709 /nfs/dbraw/zinc/75/27/09/851752709.db2.gz RODXFNGDYWJRAM-USXIJHARSA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001189110552 851752717 /nfs/dbraw/zinc/75/27/17/851752717.db2.gz RODXFNGDYWJRAM-USXIJHARSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159763 851761073 /nfs/dbraw/zinc/76/10/73/851761073.db2.gz KADQEUIOHFBBGW-OWCLPIDISA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159763 851761077 /nfs/dbraw/zinc/76/10/77/851761077.db2.gz KADQEUIOHFBBGW-OWCLPIDISA-N 2 1 352.523 0.974 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159763 851761084 /nfs/dbraw/zinc/76/10/84/851761084.db2.gz KADQEUIOHFBBGW-OWCLPIDISA-N 2 1 352.523 0.974 20 0 FCADMP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317162 851777855 /nfs/dbraw/zinc/77/78/55/851777855.db2.gz HOIYCIXGZQHWCU-ZWKOTPCHSA-N 2 1 353.507 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189485428 851795254 /nfs/dbraw/zinc/79/52/54/851795254.db2.gz WZQJMHKFYGQXED-RCCFBDPRSA-N 2 1 355.523 0.894 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612055 851807119 /nfs/dbraw/zinc/80/71/19/851807119.db2.gz BASHOAQTEFFUFX-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612055 851807124 /nfs/dbraw/zinc/80/71/24/851807124.db2.gz BASHOAQTEFFUFX-DLBZAZTESA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189669647 851814115 /nfs/dbraw/zinc/81/41/15/851814115.db2.gz YXINRQAFIOETDY-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189669647 851814120 /nfs/dbraw/zinc/81/41/20/851814120.db2.gz YXINRQAFIOETDY-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189669647 851814122 /nfs/dbraw/zinc/81/41/22/851814122.db2.gz YXINRQAFIOETDY-JKSUJKDBSA-N 2 1 353.511 0.569 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1)C1CC1 ZINC001189669679 851814441 /nfs/dbraw/zinc/81/44/41/851814441.db2.gz ZJWHIZFOYLIDGV-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1)C1CC1 ZINC001189669679 851814447 /nfs/dbraw/zinc/81/44/47/851814447.db2.gz ZJWHIZFOYLIDGV-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1)C1CC1 ZINC001189669679 851814452 /nfs/dbraw/zinc/81/44/52/851814452.db2.gz ZJWHIZFOYLIDGV-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148804 851867632 /nfs/dbraw/zinc/86/76/32/851867632.db2.gz JWQSHXPIEGWFAS-HRCADAONSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148804 851867645 /nfs/dbraw/zinc/86/76/45/851867645.db2.gz JWQSHXPIEGWFAS-HRCADAONSA-N 2 1 351.495 0.178 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148804 851867657 /nfs/dbraw/zinc/86/76/57/851867657.db2.gz JWQSHXPIEGWFAS-HRCADAONSA-N 2 1 351.495 0.178 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)C)CC3)[C@H]2C1 ZINC001278385409 862309782 /nfs/dbraw/zinc/30/97/82/862309782.db2.gz LYJAMXSYOHSPBC-GJZGRUSLSA-N 2 1 350.507 0.633 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCSC)CC3)[C@H]2C1 ZINC001278426715 862322840 /nfs/dbraw/zinc/32/28/40/862322840.db2.gz SJKXEUVPJAWIAU-HOTGVXAUSA-N 2 1 371.547 0.872 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001193024297 852339522 /nfs/dbraw/zinc/33/95/22/852339522.db2.gz KCZKOWIXQOCNFC-KZNAEPCWSA-N 2 1 351.491 0.306 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001193024297 852339532 /nfs/dbraw/zinc/33/95/32/852339532.db2.gz KCZKOWIXQOCNFC-KZNAEPCWSA-N 2 1 351.491 0.306 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193507435 852439256 /nfs/dbraw/zinc/43/92/56/852439256.db2.gz WYIOWISLQVXZGY-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193507435 852439261 /nfs/dbraw/zinc/43/92/61/852439261.db2.gz WYIOWISLQVXZGY-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193507435 852439270 /nfs/dbraw/zinc/43/92/70/852439270.db2.gz WYIOWISLQVXZGY-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193507435 852439278 /nfs/dbraw/zinc/43/92/78/852439278.db2.gz WYIOWISLQVXZGY-FGTMMUONSA-N 2 1 353.507 0.839 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C1CCCC1 ZINC001193822040 852494380 /nfs/dbraw/zinc/49/43/80/852494380.db2.gz WUXPAXGYXQIFIO-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C1CCCC1 ZINC001193822040 852494384 /nfs/dbraw/zinc/49/43/84/852494384.db2.gz WUXPAXGYXQIFIO-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CO[C@@H](C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C1CCCC1 ZINC001193822040 852494387 /nfs/dbraw/zinc/49/43/87/852494387.db2.gz WUXPAXGYXQIFIO-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193892047 852501573 /nfs/dbraw/zinc/50/15/73/852501573.db2.gz CMAVHFHBIQCWQS-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193892047 852501580 /nfs/dbraw/zinc/50/15/80/852501580.db2.gz CMAVHFHBIQCWQS-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193892047 852501585 /nfs/dbraw/zinc/50/15/85/852501585.db2.gz CMAVHFHBIQCWQS-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265078 852569327 /nfs/dbraw/zinc/56/93/27/852569327.db2.gz MMWSDDQNHZDPRM-RBSFLKMASA-N 2 1 356.511 0.133 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001194264976 852569498 /nfs/dbraw/zinc/56/94/98/852569498.db2.gz JOQXIZKHIWQFSD-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001194264976 852569499 /nfs/dbraw/zinc/56/94/99/852569499.db2.gz JOQXIZKHIWQFSD-ARFHVFGLSA-N 2 1 357.495 0.074 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](CC3C(=O)N=CNC3=O)C2)C1 ZINC001278561146 862371817 /nfs/dbraw/zinc/37/18/17/862371817.db2.gz UVVPVGGXAVLPAJ-QGZVFWFLSA-N 2 1 351.451 0.116 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594267 852793854 /nfs/dbraw/zinc/79/38/54/852793854.db2.gz LESNPAQDVQNRQK-BRWVUGGUSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594267 852793859 /nfs/dbraw/zinc/79/38/59/852793859.db2.gz LESNPAQDVQNRQK-BRWVUGGUSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594267 852793864 /nfs/dbraw/zinc/79/38/64/852793864.db2.gz LESNPAQDVQNRQK-BRWVUGGUSA-N 2 1 357.495 0.072 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594267 852793868 /nfs/dbraw/zinc/79/38/68/852793868.db2.gz LESNPAQDVQNRQK-BRWVUGGUSA-N 2 1 357.495 0.072 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195981280 852860056 /nfs/dbraw/zinc/86/00/56/852860056.db2.gz SCGRAJFQIXJLLV-IIAWOOMASA-N 2 1 353.467 0.058 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001195981529 852860125 /nfs/dbraw/zinc/86/01/25/852860125.db2.gz UXTPRRLNTJZCNQ-MGPQQGTHSA-N 2 1 369.428 0.703 20 0 FCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cccnc1CS(C)(=O)=O ZINC001196063442 852883183 /nfs/dbraw/zinc/88/31/83/852883183.db2.gz FSNFJBHCKRVVJD-UHFFFAOYSA-N 2 1 355.464 0.304 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O)CC(C)(C)C ZINC001196208129 852916013 /nfs/dbraw/zinc/91/60/13/852916013.db2.gz XZRZXJVQOYPDMI-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)CC(C)(C)C ZINC001196208129 852916015 /nfs/dbraw/zinc/91/60/15/852916015.db2.gz XZRZXJVQOYPDMI-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)CC(C)(C)C ZINC001196208129 852916019 /nfs/dbraw/zinc/91/60/19/852916019.db2.gz XZRZXJVQOYPDMI-IAGOWNOFSA-N 2 1 355.523 0.942 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001196637319 852990549 /nfs/dbraw/zinc/99/05/49/852990549.db2.gz IZXLUBGLBMFGMY-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001196637319 852990558 /nfs/dbraw/zinc/99/05/58/852990558.db2.gz IZXLUBGLBMFGMY-GVDBMIGSSA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1O ZINC001196946250 853037973 /nfs/dbraw/zinc/03/79/73/853037973.db2.gz KPZPNMHIQONSTI-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1O ZINC001196946250 853037978 /nfs/dbraw/zinc/03/79/78/853037978.db2.gz KPZPNMHIQONSTI-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1O ZINC001197781952 853160791 /nfs/dbraw/zinc/16/07/91/853160791.db2.gz BTTUTLOKUYILMK-IAGOWNOFSA-N 2 1 353.438 0.396 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1O ZINC001197781952 853160794 /nfs/dbraw/zinc/16/07/94/853160794.db2.gz BTTUTLOKUYILMK-IAGOWNOFSA-N 2 1 353.438 0.396 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001197825220 853167867 /nfs/dbraw/zinc/16/78/67/853167867.db2.gz BQMDHCWDUHOTSH-JHJVBQTASA-N 2 1 368.305 0.310 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001197825220 853167874 /nfs/dbraw/zinc/16/78/74/853167874.db2.gz BQMDHCWDUHOTSH-JHJVBQTASA-N 2 1 368.305 0.310 20 0 FCADMP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001197948773 853189953 /nfs/dbraw/zinc/18/99/53/853189953.db2.gz LIFKIUDFXIPTLA-HZPDHXFCSA-N 2 1 354.520 0.887 20 0 FCADMP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001197948773 853189961 /nfs/dbraw/zinc/18/99/61/853189961.db2.gz LIFKIUDFXIPTLA-HZPDHXFCSA-N 2 1 354.520 0.887 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001197956086 853191144 /nfs/dbraw/zinc/19/11/44/853191144.db2.gz UXGMFEZTLNYPSJ-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001197956086 853191147 /nfs/dbraw/zinc/19/11/47/853191147.db2.gz UXGMFEZTLNYPSJ-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001198729164 853307423 /nfs/dbraw/zinc/30/74/23/853307423.db2.gz DTSWPTGJTRQGQT-RCCFBDPRSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001198729719 853308995 /nfs/dbraw/zinc/30/89/95/853308995.db2.gz ZAOXPLDQTCJGPC-QZTJIDSGSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199057524 853361308 /nfs/dbraw/zinc/36/13/08/853361308.db2.gz LSZRSPNMRGPKKN-RCCFBDPRSA-N 2 1 353.507 0.983 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536147 853501373 /nfs/dbraw/zinc/50/13/73/853501373.db2.gz AGBJIVPRBXRZCL-OWCLPIDISA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538387 853502354 /nfs/dbraw/zinc/50/23/54/853502354.db2.gz ZKQVOZVHJMQDIL-OWCLPIDISA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC3CCCC3)CC2)CC[N@H+]1C ZINC001200635765 853506268 /nfs/dbraw/zinc/50/62/68/853506268.db2.gz COSAWRCHHFEOQY-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP COC(=O)CCCS(=O)(=O)Nc1cnccc1N1CCN(C)CC1 ZINC001201906466 853556376 /nfs/dbraw/zinc/55/63/76/853556376.db2.gz WVSZYQDYUCXNNO-UHFFFAOYSA-N 2 1 356.448 0.528 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980145 853775275 /nfs/dbraw/zinc/77/52/75/853775275.db2.gz FDWQNWYJKDMJKB-DJIMGWMZSA-N 2 1 350.507 0.537 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980145 853775280 /nfs/dbraw/zinc/77/52/80/853775280.db2.gz FDWQNWYJKDMJKB-DJIMGWMZSA-N 2 1 350.507 0.537 20 0 FCADMP CN(C)C(=O)COCc1noc2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207395824 853808841 /nfs/dbraw/zinc/80/88/41/853808841.db2.gz YELHOJZBLCYJHZ-UHFFFAOYSA-N 2 1 350.463 0.979 20 0 FCADMP CC(C)C(=O)N1CCO[C@]2(C1)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397305 853809069 /nfs/dbraw/zinc/80/90/69/853809069.db2.gz IXGOQEDOAMNERQ-LJQANCHMSA-N 2 1 353.507 0.914 20 0 FCADMP CC(C)C(=O)N1CCO[C@]2(C1)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397305 853809075 /nfs/dbraw/zinc/80/90/75/853809075.db2.gz IXGOQEDOAMNERQ-LJQANCHMSA-N 2 1 353.507 0.914 20 0 FCADMP O=C([C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC12CCOCC2)N1CCOCC1 ZINC001207435256 853812224 /nfs/dbraw/zinc/81/22/24/853812224.db2.gz BMFCSFKZOYPPND-KRWDZBQOSA-N 2 1 351.491 0.573 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538364 853820740 /nfs/dbraw/zinc/82/07/40/853820740.db2.gz NACPMEQJZFHOFF-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538364 853820747 /nfs/dbraw/zinc/82/07/47/853820747.db2.gz NACPMEQJZFHOFF-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207538364 853820750 /nfs/dbraw/zinc/82/07/50/853820750.db2.gz NACPMEQJZFHOFF-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207538364 853820757 /nfs/dbraw/zinc/82/07/57/853820757.db2.gz NACPMEQJZFHOFF-BRWVUGGUSA-N 2 1 352.523 0.879 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537466 853821285 /nfs/dbraw/zinc/82/12/85/853821285.db2.gz BAYKYWURNMTFQI-IXDOHACOSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537466 853821289 /nfs/dbraw/zinc/82/12/89/853821289.db2.gz BAYKYWURNMTFQI-IXDOHACOSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537466 853821294 /nfs/dbraw/zinc/82/12/94/853821294.db2.gz BAYKYWURNMTFQI-IXDOHACOSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)C1 ZINC001207537466 853821296 /nfs/dbraw/zinc/82/12/96/853821296.db2.gz BAYKYWURNMTFQI-IXDOHACOSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545265 853822606 /nfs/dbraw/zinc/82/26/06/853822606.db2.gz MFJFUDOKRTYMDI-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545265 853822609 /nfs/dbraw/zinc/82/26/09/853822609.db2.gz MFJFUDOKRTYMDI-GDBMZVCRSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568255 853827269 /nfs/dbraw/zinc/82/72/69/853827269.db2.gz YETFJIOUGFWWOS-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568255 853827276 /nfs/dbraw/zinc/82/72/76/853827276.db2.gz YETFJIOUGFWWOS-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568255 853827279 /nfs/dbraw/zinc/82/72/79/853827279.db2.gz YETFJIOUGFWWOS-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568255 853827283 /nfs/dbraw/zinc/82/72/83/853827283.db2.gz YETFJIOUGFWWOS-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568213 853827926 /nfs/dbraw/zinc/82/79/26/853827926.db2.gz VRPAYJLDLATYGT-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568213 853827934 /nfs/dbraw/zinc/82/79/34/853827934.db2.gz VRPAYJLDLATYGT-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568213 853827938 /nfs/dbraw/zinc/82/79/38/853827938.db2.gz VRPAYJLDLATYGT-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207601377 853828610 /nfs/dbraw/zinc/82/86/10/853828610.db2.gz IJJAQGCTMYDBBJ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207601377 853828615 /nfs/dbraw/zinc/82/86/15/853828615.db2.gz IJJAQGCTMYDBBJ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207601377 853828625 /nfs/dbraw/zinc/82/86/25/853828625.db2.gz IJJAQGCTMYDBBJ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207601377 853828634 /nfs/dbraw/zinc/82/86/34/853828634.db2.gz IJJAQGCTMYDBBJ-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854643 /nfs/dbraw/zinc/85/46/43/853854643.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854645 /nfs/dbraw/zinc/85/46/45/853854645.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854646 /nfs/dbraw/zinc/85/46/46/853854646.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 2 1 351.495 0.411 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757702 853855738 /nfs/dbraw/zinc/85/57/38/853855738.db2.gz KBYWCOMIDQBESS-QLFBSQMISA-N 2 1 359.536 0.588 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757702 853855739 /nfs/dbraw/zinc/85/57/39/853855739.db2.gz KBYWCOMIDQBESS-QLFBSQMISA-N 2 1 359.536 0.588 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757702 853855740 /nfs/dbraw/zinc/85/57/40/853855740.db2.gz KBYWCOMIDQBESS-QLFBSQMISA-N 2 1 359.536 0.588 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001207757702 853855741 /nfs/dbraw/zinc/85/57/41/853855741.db2.gz KBYWCOMIDQBESS-QLFBSQMISA-N 2 1 359.536 0.588 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036707 853884672 /nfs/dbraw/zinc/88/46/72/853884672.db2.gz WCUMHNNTRPLJDG-QCZOYZIOSA-N 2 1 351.491 0.711 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036707 853884673 /nfs/dbraw/zinc/88/46/73/853884673.db2.gz WCUMHNNTRPLJDG-QCZOYZIOSA-N 2 1 351.491 0.711 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036707 853884680 /nfs/dbraw/zinc/88/46/80/853884680.db2.gz WCUMHNNTRPLJDG-QCZOYZIOSA-N 2 1 351.491 0.711 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001208070598 853891904 /nfs/dbraw/zinc/89/19/04/853891904.db2.gz NSGITOMRLHPPTA-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435029 853933270 /nfs/dbraw/zinc/93/32/70/853933270.db2.gz OTZKEJHCGWLQDS-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444613 853934861 /nfs/dbraw/zinc/93/48/61/853934861.db2.gz DYDBOTNJVGNNNI-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444613 853934865 /nfs/dbraw/zinc/93/48/65/853934865.db2.gz DYDBOTNJVGNNNI-HUUCEWRRSA-N 2 1 359.536 0.590 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435242 853934901 /nfs/dbraw/zinc/93/49/01/853934901.db2.gz YCVLLNVOMQJKGC-IXDOHACOSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484935 853940991 /nfs/dbraw/zinc/94/09/91/853940991.db2.gz DHWNGLYHDVTIJU-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484935 853940996 /nfs/dbraw/zinc/94/09/96/853940996.db2.gz DHWNGLYHDVTIJU-HLLBOEOZSA-N 2 1 352.523 0.925 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485631 853941048 /nfs/dbraw/zinc/94/10/48/853941048.db2.gz NXILKPOKPXBYLM-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485631 853941053 /nfs/dbraw/zinc/94/10/53/853941053.db2.gz NXILKPOKPXBYLM-GDBMZVCRSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCCc2cccs2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495865 853943073 /nfs/dbraw/zinc/94/30/73/853943073.db2.gz ARJANUBNGKIMON-GDBMZVCRSA-N 2 1 366.531 0.795 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCCc2cccs2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495865 853943081 /nfs/dbraw/zinc/94/30/81/853943081.db2.gz ARJANUBNGKIMON-GDBMZVCRSA-N 2 1 366.531 0.795 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001208611942 853960682 /nfs/dbraw/zinc/96/06/82/853960682.db2.gz YPLFQBNEJRLACJ-PKOBYXMFSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001208611942 853960689 /nfs/dbraw/zinc/96/06/89/853960689.db2.gz YPLFQBNEJRLACJ-PKOBYXMFSA-N 2 1 352.523 0.489 20 0 FCADMP CNC(=O)CN1CCOC[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001208611942 853960694 /nfs/dbraw/zinc/96/06/94/853960694.db2.gz YPLFQBNEJRLACJ-PKOBYXMFSA-N 2 1 352.523 0.489 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209151108 854001584 /nfs/dbraw/zinc/00/15/84/854001584.db2.gz ZQCIJPAIQUPOQA-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209151108 854001591 /nfs/dbraw/zinc/00/15/91/854001591.db2.gz ZQCIJPAIQUPOQA-NVXWUHKLSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515191 854033684 /nfs/dbraw/zinc/03/36/84/854033684.db2.gz SJCNVDSKMWKBIS-KFWWJZLASA-N 2 1 361.433 0.569 20 0 FCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515191 854033690 /nfs/dbraw/zinc/03/36/90/854033690.db2.gz SJCNVDSKMWKBIS-KFWWJZLASA-N 2 1 361.433 0.569 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001209514195 854034547 /nfs/dbraw/zinc/03/45/47/854034547.db2.gz ILKDIVSFCXTGQK-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CCC1 ZINC001209514195 854034553 /nfs/dbraw/zinc/03/45/53/854034553.db2.gz ILKDIVSFCXTGQK-NXHRZFHOSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837523 854057949 /nfs/dbraw/zinc/05/79/49/854057949.db2.gz ZXFRVPYFAMOHLC-IJEWVQPXSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277208 854094827 /nfs/dbraw/zinc/09/48/27/854094827.db2.gz QRIFBLLEVXQUKY-OWCLPIDISA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210277208 854094833 /nfs/dbraw/zinc/09/48/33/854094833.db2.gz QRIFBLLEVXQUKY-OWCLPIDISA-N 2 1 353.511 0.472 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210277208 854094835 /nfs/dbraw/zinc/09/48/35/854094835.db2.gz QRIFBLLEVXQUKY-OWCLPIDISA-N 2 1 353.511 0.472 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297184 854097643 /nfs/dbraw/zinc/09/76/43/854097643.db2.gz CYYCIVQJSVAAAY-BRWVUGGUSA-N 2 1 357.495 0.197 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314638 854098634 /nfs/dbraw/zinc/09/86/34/854098634.db2.gz BWWQJKFKDZWJDK-BZUAXINKSA-N 2 1 356.511 0.162 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314638 854098637 /nfs/dbraw/zinc/09/86/37/854098637.db2.gz BWWQJKFKDZWJDK-BZUAXINKSA-N 2 1 356.511 0.162 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315884 854099596 /nfs/dbraw/zinc/09/95/96/854099596.db2.gz YCVMULREJIVPCO-UKRRQHHQSA-N 2 1 352.483 0.121 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315884 854099599 /nfs/dbraw/zinc/09/95/99/854099599.db2.gz YCVMULREJIVPCO-UKRRQHHQSA-N 2 1 352.483 0.121 20 0 FCADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330082 854100570 /nfs/dbraw/zinc/10/05/70/854100570.db2.gz NYEIRXHZYYMDFK-BRWVUGGUSA-N 2 1 351.491 0.714 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330193 854101587 /nfs/dbraw/zinc/10/15/87/854101587.db2.gz RCDBAOCYVNQJQJ-BZUAXINKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330193 854101591 /nfs/dbraw/zinc/10/15/91/854101591.db2.gz RCDBAOCYVNQJQJ-BZUAXINKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330142 854102050 /nfs/dbraw/zinc/10/20/50/854102050.db2.gz PHPLAXAVZBDHHB-BZUAXINKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330142 854102053 /nfs/dbraw/zinc/10/20/53/854102053.db2.gz PHPLAXAVZBDHHB-BZUAXINKSA-N 2 1 350.507 0.679 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426753 854108323 /nfs/dbraw/zinc/10/83/23/854108323.db2.gz KLMSMSAJKPYXAF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426753 854108330 /nfs/dbraw/zinc/10/83/30/854108330.db2.gz KLMSMSAJKPYXAF-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433046 854109999 /nfs/dbraw/zinc/10/99/99/854109999.db2.gz LNJMQBWKBFCFRV-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433046 854110004 /nfs/dbraw/zinc/11/00/04/854110004.db2.gz LNJMQBWKBFCFRV-HZPDHXFCSA-N 2 1 361.552 0.980 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210514365 854115797 /nfs/dbraw/zinc/11/57/97/854115797.db2.gz SEYIABJREBBFOK-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210514365 854115799 /nfs/dbraw/zinc/11/57/99/854115799.db2.gz SEYIABJREBBFOK-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001210514365 854115801 /nfs/dbraw/zinc/11/58/01/854115801.db2.gz SEYIABJREBBFOK-CHWSQXEVSA-N 2 1 366.428 0.833 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1C ZINC001211039242 854149011 /nfs/dbraw/zinc/14/90/11/854149011.db2.gz QHYGTJVWKARQCW-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1C ZINC001211039242 854149013 /nfs/dbraw/zinc/14/90/13/854149013.db2.gz QHYGTJVWKARQCW-HYVNUMGLSA-N 2 1 350.463 0.824 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211299918 854174983 /nfs/dbraw/zinc/17/49/83/854174983.db2.gz CGRVCAYLMUXBJL-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350699 854179105 /nfs/dbraw/zinc/17/91/05/854179105.db2.gz VGKOSAVDUPRLKF-BFYDXBDKSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001211371172 854183099 /nfs/dbraw/zinc/18/30/99/854183099.db2.gz LKZHVSUWUXGDSD-HUUCEWRRSA-N 2 1 362.540 0.045 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001211371172 854183101 /nfs/dbraw/zinc/18/31/01/854183101.db2.gz LKZHVSUWUXGDSD-HUUCEWRRSA-N 2 1 362.540 0.045 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001211371172 854183104 /nfs/dbraw/zinc/18/31/04/854183104.db2.gz LKZHVSUWUXGDSD-HUUCEWRRSA-N 2 1 362.540 0.045 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293305 854430608 /nfs/dbraw/zinc/43/06/08/854430608.db2.gz DNVIJZJWZJCLJQ-RRFJBIMHSA-N 2 1 361.433 0.425 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293305 854430615 /nfs/dbraw/zinc/43/06/15/854430615.db2.gz DNVIJZJWZJCLJQ-RRFJBIMHSA-N 2 1 361.433 0.425 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458560 854486124 /nfs/dbraw/zinc/48/61/24/854486124.db2.gz JYVPKDZKTKIKBF-BZUAXINKSA-N 2 1 357.495 0.195 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342036 854581789 /nfs/dbraw/zinc/58/17/89/854581789.db2.gz CKNZEIRSPOSWSH-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346425 854583693 /nfs/dbraw/zinc/58/36/93/854583693.db2.gz LXZKEMNIAGTHHP-GVDBMIGSSA-N 2 1 359.511 0.177 20 0 FCADMP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001213439974 854616822 /nfs/dbraw/zinc/61/68/22/854616822.db2.gz CYHSAILIXAYYPS-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001213439974 854616825 /nfs/dbraw/zinc/61/68/25/854616825.db2.gz CYHSAILIXAYYPS-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001213439974 854616827 /nfs/dbraw/zinc/61/68/27/854616827.db2.gz CYHSAILIXAYYPS-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001213439974 854616829 /nfs/dbraw/zinc/61/68/29/854616829.db2.gz CYHSAILIXAYYPS-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001213502351 854641956 /nfs/dbraw/zinc/64/19/56/854641956.db2.gz CUVJVUXMCUDGIT-ARFHVFGLSA-N 2 1 352.479 0.983 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001213502351 854641957 /nfs/dbraw/zinc/64/19/57/854641957.db2.gz CUVJVUXMCUDGIT-ARFHVFGLSA-N 2 1 352.479 0.983 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213596632 854679689 /nfs/dbraw/zinc/67/96/89/854679689.db2.gz IQYTVQAULGJECG-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213596632 854679692 /nfs/dbraw/zinc/67/96/92/854679692.db2.gz IQYTVQAULGJECG-HZPDHXFCSA-N 2 1 352.483 0.052 20 0 FCADMP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638683 854694798 /nfs/dbraw/zinc/69/47/98/854694798.db2.gz ZWLOIORZQRDXIY-ZIAGYGMSSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638683 854694801 /nfs/dbraw/zinc/69/48/01/854694801.db2.gz ZWLOIORZQRDXIY-ZIAGYGMSSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730868 854740770 /nfs/dbraw/zinc/74/07/70/854740770.db2.gz ZTWGQAQOSIZAMV-HZPDHXFCSA-N 2 1 355.504 0.950 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730868 854740774 /nfs/dbraw/zinc/74/07/74/854740774.db2.gz ZTWGQAQOSIZAMV-HZPDHXFCSA-N 2 1 355.504 0.950 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759436 854755111 /nfs/dbraw/zinc/75/51/11/854755111.db2.gz LGHSXTPYWFQNHD-RRFJBIMHSA-N 2 1 356.511 0.447 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213859784 854794461 /nfs/dbraw/zinc/79/44/61/854794461.db2.gz KOAWXCDOBTWPNX-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213859784 854794465 /nfs/dbraw/zinc/79/44/65/854794465.db2.gz KOAWXCDOBTWPNX-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213859784 854794472 /nfs/dbraw/zinc/79/44/72/854794472.db2.gz KOAWXCDOBTWPNX-MGPQQGTHSA-N 2 1 367.412 0.723 20 0 FCADMP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859568 854794949 /nfs/dbraw/zinc/79/49/49/854794949.db2.gz GCSYOGQBTXTVKM-GVDBMIGSSA-N 2 1 355.479 0.093 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859568 854794954 /nfs/dbraw/zinc/79/49/54/854794954.db2.gz GCSYOGQBTXTVKM-GVDBMIGSSA-N 2 1 355.479 0.093 20 0 FCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@H](OC)C1 ZINC001213892375 854813940 /nfs/dbraw/zinc/81/39/40/854813940.db2.gz CHYIUQBHVJCPIX-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CCCCOCCN1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@H](OC)C1 ZINC001213892375 854813945 /nfs/dbraw/zinc/81/39/45/854813945.db2.gz CHYIUQBHVJCPIX-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001214335673 854927238 /nfs/dbraw/zinc/92/72/38/854927238.db2.gz GAMHXOYTPWNVCQ-JHJVBQTASA-N 2 1 364.412 0.586 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214664005 854988257 /nfs/dbraw/zinc/98/82/57/854988257.db2.gz ICWWCKCGIWSJBT-FDYHWXHSSA-N 2 1 366.491 0.253 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214663973 854988293 /nfs/dbraw/zinc/98/82/93/854988293.db2.gz HCSRZLSQYPHTJW-KLHDSHLOSA-N 2 1 374.551 0.045 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214850605 855023703 /nfs/dbraw/zinc/02/37/03/855023703.db2.gz YQJGRJPJTQKGST-ZACQAIPSSA-N 2 1 351.495 0.676 20 0 FCADMP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214863702 855025318 /nfs/dbraw/zinc/02/53/18/855025318.db2.gz UZOUKVCTDLNEFZ-GDBMZVCRSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950617 855038769 /nfs/dbraw/zinc/03/87/69/855038769.db2.gz UUGQXYDSBJBYJP-KLHDSHLOSA-N 2 1 354.495 0.009 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950617 855038775 /nfs/dbraw/zinc/03/87/75/855038775.db2.gz UUGQXYDSBJBYJP-KLHDSHLOSA-N 2 1 354.495 0.009 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214968762 855042296 /nfs/dbraw/zinc/04/22/96/855042296.db2.gz AYVGUENTRCJPBO-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162386 855075476 /nfs/dbraw/zinc/07/54/76/855075476.db2.gz QPQPAXXUZAYUTE-IJEWVQPXSA-N 2 1 350.463 0.206 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215541342 855127058 /nfs/dbraw/zinc/12/70/58/855127058.db2.gz YRJQWFAQWIKEKC-BZUAXINKSA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215541343 855127246 /nfs/dbraw/zinc/12/72/46/855127246.db2.gz YRJQWFAQWIKEKC-OWCLPIDISA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215774213 855144770 /nfs/dbraw/zinc/14/47/70/855144770.db2.gz LLKBGSFUDAZGHA-DJIMGWMZSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC001215938548 855158647 /nfs/dbraw/zinc/15/86/47/855158647.db2.gz FBWDGGIDFVGIKL-FGTMMUONSA-N 2 1 353.507 0.962 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC001215938549 855158683 /nfs/dbraw/zinc/15/86/83/855158683.db2.gz FBWDGGIDFVGIKL-KZNAEPCWSA-N 2 1 353.507 0.962 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001215994140 855163290 /nfs/dbraw/zinc/16/32/90/855163290.db2.gz RGECYEWPHAMILX-ZIAGYGMSSA-N 2 1 351.499 0.706 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216983 855180329 /nfs/dbraw/zinc/18/03/29/855180329.db2.gz FXZPKHFGZMSKNZ-ZIAGYGMSSA-N 2 1 355.483 0.001 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001216383831 855196302 /nfs/dbraw/zinc/19/63/02/855196302.db2.gz QSKSUNAGVJNACQ-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216506476 855209861 /nfs/dbraw/zinc/20/98/61/855209861.db2.gz JMQGVYPIMQSPHO-IXDOHACOSA-N 2 1 359.511 0.179 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001216506181 855209993 /nfs/dbraw/zinc/20/99/93/855209993.db2.gz FBAQXPSFQTYOCO-HZPDHXFCSA-N 2 1 355.527 0.862 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216756213 855232834 /nfs/dbraw/zinc/23/28/34/855232834.db2.gz XPALFUNKDFZAPI-ZYHUDNBSSA-N 2 1 361.368 0.307 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001216754247 855232932 /nfs/dbraw/zinc/23/29/32/855232932.db2.gz MMITXUMEGCPLPK-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218096414 855397518 /nfs/dbraw/zinc/39/75/18/855397518.db2.gz KXFGZPWSFANRDU-QMMMGPOBSA-N 2 1 354.432 0.389 20 0 FCADMP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218305220 855413364 /nfs/dbraw/zinc/41/33/64/855413364.db2.gz BUMOUJZOKGXBAF-DLBZAZTESA-N 2 1 350.463 0.920 20 0 FCADMP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218305220 855413368 /nfs/dbraw/zinc/41/33/68/855413368.db2.gz BUMOUJZOKGXBAF-DLBZAZTESA-N 2 1 350.463 0.920 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218558288 855439749 /nfs/dbraw/zinc/43/97/49/855439749.db2.gz XAPKIEIKWBTMTI-RRFJBIMHSA-N 2 1 361.433 0.664 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218558288 855439755 /nfs/dbraw/zinc/43/97/55/855439755.db2.gz XAPKIEIKWBTMTI-RRFJBIMHSA-N 2 1 361.433 0.664 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631910 855453815 /nfs/dbraw/zinc/45/38/15/855453815.db2.gz YOFHHBLIIRRGCH-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631910 855453817 /nfs/dbraw/zinc/45/38/17/855453817.db2.gz YOFHHBLIIRRGCH-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631910 855453821 /nfs/dbraw/zinc/45/38/21/855453821.db2.gz YOFHHBLIIRRGCH-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP CC(C)COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631910 855453824 /nfs/dbraw/zinc/45/38/24/855453824.db2.gz YOFHHBLIIRRGCH-OKZBNKHCSA-N 2 1 353.507 0.912 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21 ZINC001218629871 855454031 /nfs/dbraw/zinc/45/40/31/855454031.db2.gz AKCUDFLDGFTAQO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21 ZINC001218629871 855454036 /nfs/dbraw/zinc/45/40/36/855454036.db2.gz AKCUDFLDGFTAQO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001218629871 855454043 /nfs/dbraw/zinc/45/40/43/855454043.db2.gz AKCUDFLDGFTAQO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001218629871 855454048 /nfs/dbraw/zinc/45/40/48/855454048.db2.gz AKCUDFLDGFTAQO-RYQLBKOJSA-N 2 1 351.491 0.809 20 0 FCADMP C[C@H](COCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21)[NH+]1CCCC1 ZINC001218650703 855458655 /nfs/dbraw/zinc/45/86/55/855458655.db2.gz IBPGSTQKQZYDER-BPQIPLTHSA-N 2 1 351.491 0.809 20 0 FCADMP Nc1cn(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)ccc1=[NH2+] ZINC001218692173 855465486 /nfs/dbraw/zinc/46/54/86/855465486.db2.gz CMQBMYBFLKYCMZ-OAHLLOKOSA-N 2 1 359.455 0.567 20 0 FCADMP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)C[NH2+]CCC[NH3+])CC1 ZINC001218735114 855472528 /nfs/dbraw/zinc/47/25/28/855472528.db2.gz OBZUBGFVXUPMOZ-UHFFFAOYSA-N 2 1 350.467 0.327 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CCCCCF)C[C@@H]21 ZINC001218789724 855479503 /nfs/dbraw/zinc/47/95/03/855479503.db2.gz RKEZHGCWENBSSG-DLBZAZTESA-N 2 1 357.470 0.760 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CCCCCF)C[C@@H]21 ZINC001218789724 855479507 /nfs/dbraw/zinc/47/95/07/855479507.db2.gz RKEZHGCWENBSSG-DLBZAZTESA-N 2 1 357.470 0.760 20 0 FCADMP CS(=O)(=O)N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1cccc(N)c1 ZINC001218887821 855492202 /nfs/dbraw/zinc/49/22/02/855492202.db2.gz SUJMEMGPRPQZGJ-AWEZNQCLSA-N 2 1 352.460 0.436 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCC(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288787 855617626 /nfs/dbraw/zinc/61/76/26/855617626.db2.gz SKOKVBHVNNGKDT-ZDUSSCGKSA-N 2 1 352.410 0.972 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@@H]1O ZINC001219726312 855788169 /nfs/dbraw/zinc/78/81/69/855788169.db2.gz XDHHUNFMPUVLQA-BBWFWOEESA-N 2 1 361.502 0.890 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@@H]1O ZINC001219726312 855788172 /nfs/dbraw/zinc/78/81/72/855788172.db2.gz XDHHUNFMPUVLQA-BBWFWOEESA-N 2 1 361.502 0.890 20 0 FCADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792628 855815181 /nfs/dbraw/zinc/81/51/81/855815181.db2.gz RWXOEOUCNMMRAL-ZNMIVQPWSA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792628 855815183 /nfs/dbraw/zinc/81/51/83/855815183.db2.gz RWXOEOUCNMMRAL-ZNMIVQPWSA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792628 855815184 /nfs/dbraw/zinc/81/51/84/855815184.db2.gz RWXOEOUCNMMRAL-ZNMIVQPWSA-N 2 1 363.449 0.407 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001219792628 855815186 /nfs/dbraw/zinc/81/51/86/855815186.db2.gz RWXOEOUCNMMRAL-ZNMIVQPWSA-N 2 1 363.449 0.407 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804526 855823289 /nfs/dbraw/zinc/82/32/89/855823289.db2.gz YXHVZWZFKVNBDW-IJEWVQPXSA-N 2 1 352.504 0.496 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804526 855823295 /nfs/dbraw/zinc/82/32/95/855823295.db2.gz YXHVZWZFKVNBDW-IJEWVQPXSA-N 2 1 352.504 0.496 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001219845536 855843003 /nfs/dbraw/zinc/84/30/03/855843003.db2.gz MBAMTXDDABSXKN-IKGGRYGDSA-N 2 1 351.495 0.193 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001219845536 855843005 /nfs/dbraw/zinc/84/30/05/855843005.db2.gz MBAMTXDDABSXKN-IKGGRYGDSA-N 2 1 351.495 0.193 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219847059 855844701 /nfs/dbraw/zinc/84/47/01/855844701.db2.gz QIDNSJUXORKFOG-YCPHGPKFSA-N 2 1 354.520 0.742 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219847059 855844704 /nfs/dbraw/zinc/84/47/04/855844704.db2.gz QIDNSJUXORKFOG-YCPHGPKFSA-N 2 1 354.520 0.742 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903253 855871971 /nfs/dbraw/zinc/87/19/71/855871971.db2.gz WNAIPDXGMIJNRN-ZACQAIPSSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903253 855871977 /nfs/dbraw/zinc/87/19/77/855871977.db2.gz WNAIPDXGMIJNRN-ZACQAIPSSA-N 2 1 355.523 0.819 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903253 855871983 /nfs/dbraw/zinc/87/19/83/855871983.db2.gz WNAIPDXGMIJNRN-ZACQAIPSSA-N 2 1 355.523 0.819 20 0 FCADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034356 855928467 /nfs/dbraw/zinc/92/84/67/855928467.db2.gz RXTMNLACVNMOGS-XFHVWQCUSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034356 855928469 /nfs/dbraw/zinc/92/84/69/855928469.db2.gz RXTMNLACVNMOGS-XFHVWQCUSA-N 2 1 351.491 0.447 20 0 FCADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034356 855928474 /nfs/dbraw/zinc/92/84/74/855928474.db2.gz RXTMNLACVNMOGS-XFHVWQCUSA-N 2 1 351.491 0.447 20 0 FCADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220071984 855945757 /nfs/dbraw/zinc/94/57/57/855945757.db2.gz ZKHVBLAWIFTUAN-CYBMUJFWSA-N 2 1 352.460 0.003 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)CCCCC1 ZINC001220072039 855945954 /nfs/dbraw/zinc/94/59/54/855945954.db2.gz BVICPYYEORPQJU-ZACQAIPSSA-N 2 1 353.507 0.696 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)CCCC1 ZINC001220077930 855949026 /nfs/dbraw/zinc/94/90/26/855949026.db2.gz BSFABRXFLOVNCE-ZACQAIPSSA-N 2 1 353.507 0.981 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161968 855988260 /nfs/dbraw/zinc/98/82/60/855988260.db2.gz HBLPXKHUJRIUOF-JFIYKMOQSA-N 3 1 350.507 0.478 20 0 FCADMP CN1C[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)OC2(CC[NH2+]CC2)C1 ZINC001220161968 855988264 /nfs/dbraw/zinc/98/82/64/855988264.db2.gz HBLPXKHUJRIUOF-JFIYKMOQSA-N 2 1 350.507 0.478 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203919 856006997 /nfs/dbraw/zinc/00/69/97/856006997.db2.gz UXJZHUMKFOCCFL-KFWWJZLASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203919 856007002 /nfs/dbraw/zinc/00/70/02/856007002.db2.gz UXJZHUMKFOCCFL-KFWWJZLASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203919 856007006 /nfs/dbraw/zinc/00/70/06/856007006.db2.gz UXJZHUMKFOCCFL-KFWWJZLASA-N 2 1 363.449 0.551 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)C1 ZINC001220203919 856007009 /nfs/dbraw/zinc/00/70/09/856007009.db2.gz UXJZHUMKFOCCFL-KFWWJZLASA-N 2 1 363.449 0.551 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001220290294 856047312 /nfs/dbraw/zinc/04/73/12/856047312.db2.gz UXTPRRLNTJZCNQ-HZSPNIEDSA-N 2 1 369.428 0.703 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220332185 856069510 /nfs/dbraw/zinc/06/95/10/856069510.db2.gz JSTJPEAJUHDYIU-CVEARBPZSA-N 2 1 371.547 0.637 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220584514 856194465 /nfs/dbraw/zinc/19/44/65/856194465.db2.gz BCUVSSMSDLVTDO-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220584514 856194469 /nfs/dbraw/zinc/19/44/69/856194469.db2.gz BCUVSSMSDLVTDO-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)c1ccc(Br)cc1 ZINC001220605719 856202458 /nfs/dbraw/zinc/20/24/58/856202458.db2.gz WLXGYSPTUZOLOF-STQMWFEESA-N 2 1 352.236 0.858 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220688920 856243128 /nfs/dbraw/zinc/24/31/28/856243128.db2.gz WADDTWAKSORVNA-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220688920 856243136 /nfs/dbraw/zinc/24/31/36/856243136.db2.gz WADDTWAKSORVNA-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220688920 856243141 /nfs/dbraw/zinc/24/31/41/856243141.db2.gz WADDTWAKSORVNA-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220688920 856243150 /nfs/dbraw/zinc/24/31/50/856243150.db2.gz WADDTWAKSORVNA-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711138 856256042 /nfs/dbraw/zinc/25/60/42/856256042.db2.gz KYOSGVDDQLATAN-DZGCQCFKSA-N 2 1 365.865 0.070 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799309 856306609 /nfs/dbraw/zinc/30/66/09/856306609.db2.gz WAFDCTOFHDGZLE-OAGGEKHMSA-N 2 1 356.511 0.135 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799309 856306615 /nfs/dbraw/zinc/30/66/15/856306615.db2.gz WAFDCTOFHDGZLE-OAGGEKHMSA-N 2 1 356.511 0.135 20 0 FCADMP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799073 856306960 /nfs/dbraw/zinc/30/69/60/856306960.db2.gz NLOSBXROOBLZIY-CVEARBPZSA-N 2 1 352.479 0.939 20 0 FCADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799073 856306966 /nfs/dbraw/zinc/30/69/66/856306966.db2.gz NLOSBXROOBLZIY-CVEARBPZSA-N 2 1 352.479 0.939 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220806884 856310696 /nfs/dbraw/zinc/31/06/96/856310696.db2.gz LGQNNXDIHCCTOJ-UPJWGTAASA-N 2 1 355.401 0.193 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220806884 856310703 /nfs/dbraw/zinc/31/07/03/856310703.db2.gz LGQNNXDIHCCTOJ-UPJWGTAASA-N 2 1 355.401 0.193 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O ZINC001220985730 856407686 /nfs/dbraw/zinc/40/76/86/856407686.db2.gz DCASXSZBOWMOAL-JQHSSLGASA-N 2 1 351.491 0.616 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220994166 856412649 /nfs/dbraw/zinc/41/26/49/856412649.db2.gz DTSWPTGJTRQGQT-KSZLIROESA-N 2 1 353.507 0.840 20 0 FCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073356 856450207 /nfs/dbraw/zinc/45/02/07/856450207.db2.gz RVSMIXLTPVHKSC-BBWFWOEESA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001221091515 856459328 /nfs/dbraw/zinc/45/93/28/856459328.db2.gz PRNGOHFEAVFXGE-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001221091515 856459335 /nfs/dbraw/zinc/45/93/35/856459335.db2.gz PRNGOHFEAVFXGE-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001221091515 856459339 /nfs/dbraw/zinc/45/93/39/856459339.db2.gz PRNGOHFEAVFXGE-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001221091515 856459343 /nfs/dbraw/zinc/45/93/43/856459343.db2.gz PRNGOHFEAVFXGE-ZACQAIPSSA-N 2 1 357.495 0.074 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)[C@@H]2C1 ZINC001279269105 862805307 /nfs/dbraw/zinc/80/53/07/862805307.db2.gz JXQXRUBAXOFZFA-YYIAUSFCSA-N 2 1 351.491 0.775 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221657097 856641759 /nfs/dbraw/zinc/64/17/59/856641759.db2.gz JQWFUPCZSJKDPN-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221657097 856641764 /nfs/dbraw/zinc/64/17/64/856641764.db2.gz JQWFUPCZSJKDPN-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221657097 856641767 /nfs/dbraw/zinc/64/17/67/856641767.db2.gz JQWFUPCZSJKDPN-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221657097 856641771 /nfs/dbraw/zinc/64/17/71/856641771.db2.gz JQWFUPCZSJKDPN-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]3C2)C1=O ZINC001221657507 856642028 /nfs/dbraw/zinc/64/20/28/856642028.db2.gz YULMTTYBKDUPMZ-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]3C2)C1=O ZINC001221657507 856642029 /nfs/dbraw/zinc/64/20/29/856642029.db2.gz YULMTTYBKDUPMZ-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]3C2)C1=O ZINC001221657507 856642030 /nfs/dbraw/zinc/64/20/30/856642030.db2.gz YULMTTYBKDUPMZ-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]3C2)C1=O ZINC001221657507 856642031 /nfs/dbraw/zinc/64/20/31/856642031.db2.gz YULMTTYBKDUPMZ-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772664 856677653 /nfs/dbraw/zinc/67/76/53/856677653.db2.gz JCETWSGDQMSWOK-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772664 856677656 /nfs/dbraw/zinc/67/76/56/856677656.db2.gz JCETWSGDQMSWOK-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001221777095 856678966 /nfs/dbraw/zinc/67/89/66/856678966.db2.gz QWXCPHGYNLUMSE-GVDBMIGSSA-N 2 1 350.507 0.777 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790309 856684271 /nfs/dbraw/zinc/68/42/71/856684271.db2.gz JGDDNEMVYCMTMC-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790309 856684277 /nfs/dbraw/zinc/68/42/77/856684277.db2.gz JGDDNEMVYCMTMC-IAGOWNOFSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001221810588 856694046 /nfs/dbraw/zinc/69/40/46/856694046.db2.gz XOABIBZVTGOAOC-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21)[NH+](CC)CC ZINC001221810588 856694051 /nfs/dbraw/zinc/69/40/51/856694051.db2.gz XOABIBZVTGOAOC-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920664 856734552 /nfs/dbraw/zinc/73/45/52/856734552.db2.gz PZKLTNGQMMXRJR-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920664 856734558 /nfs/dbraw/zinc/73/45/58/856734558.db2.gz PZKLTNGQMMXRJR-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920664 856734561 /nfs/dbraw/zinc/73/45/61/856734561.db2.gz PZKLTNGQMMXRJR-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221920664 856734567 /nfs/dbraw/zinc/73/45/67/856734567.db2.gz PZKLTNGQMMXRJR-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027071 856776098 /nfs/dbraw/zinc/77/60/98/856776098.db2.gz JXBLCSLCAWXSOD-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027071 856776099 /nfs/dbraw/zinc/77/60/99/856776099.db2.gz JXBLCSLCAWXSOD-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC001222656778 856860946 /nfs/dbraw/zinc/86/09/46/856860946.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222656778 856860956 /nfs/dbraw/zinc/86/09/56/856860956.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 2 1 353.507 0.791 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222656778 856860967 /nfs/dbraw/zinc/86/09/67/856860967.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 2 1 353.507 0.791 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223388176 856911581 /nfs/dbraw/zinc/91/15/81/856911581.db2.gz ZUNFVBWJPZQJPH-SJORKVTESA-N 2 1 353.507 0.914 20 0 FCADMP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21)C1CC1 ZINC001223378824 856911711 /nfs/dbraw/zinc/91/17/11/856911711.db2.gz NKEPSOKEGXJDQR-WBVHZDCISA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001223438749 856916789 /nfs/dbraw/zinc/91/67/89/856916789.db2.gz AJBFXZABOVALJN-SOLBZPMBSA-N 2 1 352.523 0.974 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001223684521 856936556 /nfs/dbraw/zinc/93/65/56/856936556.db2.gz RHPHAGWQTQVMNR-MSOLQXFVSA-N 2 1 353.507 0.794 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001223684521 856936564 /nfs/dbraw/zinc/93/65/64/856936564.db2.gz RHPHAGWQTQVMNR-MSOLQXFVSA-N 2 1 353.507 0.794 20 0 FCADMP C[C@@H](O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223679109 856936897 /nfs/dbraw/zinc/93/68/97/856936897.db2.gz ZWXWBYIPTRDGJF-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@@H](O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223679109 856936902 /nfs/dbraw/zinc/93/69/02/856936902.db2.gz ZWXWBYIPTRDGJF-KURKYZTESA-N 2 1 353.507 0.793 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130121 856961537 /nfs/dbraw/zinc/96/15/37/856961537.db2.gz ODQDCTSVIBDQEW-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130121 856961542 /nfs/dbraw/zinc/96/15/42/856961542.db2.gz ODQDCTSVIBDQEW-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130121 856961547 /nfs/dbraw/zinc/96/15/47/856961547.db2.gz ODQDCTSVIBDQEW-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130121 856961551 /nfs/dbraw/zinc/96/15/51/856961551.db2.gz ODQDCTSVIBDQEW-IKGGRYGDSA-N 2 1 371.547 0.686 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225526085 857047523 /nfs/dbraw/zinc/04/75/23/857047523.db2.gz WZJVKCLJYMBXQE-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225526085 857047526 /nfs/dbraw/zinc/04/75/26/857047526.db2.gz WZJVKCLJYMBXQE-OAGGEKHMSA-N 2 1 354.495 0.202 20 0 FCADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226332852 857097070 /nfs/dbraw/zinc/09/70/70/857097070.db2.gz BKFPQEOZZIHRLZ-KLHDSHLOSA-N 2 1 374.551 0.283 20 0 FCADMP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444055 857160444 /nfs/dbraw/zinc/16/04/44/857160444.db2.gz OHLAHIFOWQVWLP-RHSMWYFYSA-N 2 1 354.495 0.060 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001227524960 857163483 /nfs/dbraw/zinc/16/34/83/857163483.db2.gz KKBGTLQEDXOPAU-HUUCEWRRSA-N 2 1 371.507 0.100 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954266 857186269 /nfs/dbraw/zinc/18/62/69/857186269.db2.gz QWUSPRSKGZYBOS-FVQBIDKESA-N 2 1 354.495 0.330 20 0 FCADMP CCCC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954266 857186274 /nfs/dbraw/zinc/18/62/74/857186274.db2.gz QWUSPRSKGZYBOS-FVQBIDKESA-N 2 1 354.495 0.330 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001227989132 857187386 /nfs/dbraw/zinc/18/73/86/857187386.db2.gz VFRQYMIMUSVMIP-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001227989132 857187389 /nfs/dbraw/zinc/18/73/89/857187389.db2.gz VFRQYMIMUSVMIP-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001227989132 857187397 /nfs/dbraw/zinc/18/73/97/857187397.db2.gz VFRQYMIMUSVMIP-QGZVFWFLSA-N 2 1 355.527 0.160 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228603197 857218632 /nfs/dbraw/zinc/21/86/32/857218632.db2.gz OWGBYQMTSIYDHK-HBUWYVDXSA-N 2 1 356.486 0.962 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001229517040 857273308 /nfs/dbraw/zinc/27/33/08/857273308.db2.gz RMOZNVPYMLLDJZ-CHWSQXEVSA-N 2 1 368.507 0.835 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229523199 857273689 /nfs/dbraw/zinc/27/36/89/857273689.db2.gz DHMUTQDHNGIWPV-ZIAGYGMSSA-N 2 1 351.451 0.972 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229837629 857289192 /nfs/dbraw/zinc/28/91/92/857289192.db2.gz LWKXCFDBSBNERK-HUUCEWRRSA-N 2 1 362.540 0.285 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229877360 857291476 /nfs/dbraw/zinc/29/14/76/857291476.db2.gz RFEDPQNDPKIDAF-MGPQQGTHSA-N 2 1 355.483 0.189 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284649 857322835 /nfs/dbraw/zinc/32/28/35/857322835.db2.gz PBMRMJRASHLIAQ-IAGOWNOFSA-N 2 1 356.511 0.496 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCNC(=O)C2CC2)CC[N@@H+]1C ZINC001234403298 857403792 /nfs/dbraw/zinc/40/37/92/857403792.db2.gz TYJHGOSEDWLJDG-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCNC(=O)C2CC2)CC[N@H+]1C ZINC001234403298 857403797 /nfs/dbraw/zinc/40/37/97/857403797.db2.gz TYJHGOSEDWLJDG-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCNC(=O)C2CC2)CC[NH+]1C ZINC001234403298 857403799 /nfs/dbraw/zinc/40/37/99/857403799.db2.gz TYJHGOSEDWLJDG-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCNC(=O)C2CC2)CC[NH+]1C ZINC001234403298 857403801 /nfs/dbraw/zinc/40/38/01/857403801.db2.gz TYJHGOSEDWLJDG-YESZJQIVSA-N 2 1 350.507 0.776 20 0 FCADMP Brc1cnc2[nH]cc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)c2n1 ZINC001234990464 857418097 /nfs/dbraw/zinc/41/80/97/857418097.db2.gz DJSZWJDAJBTXKM-AWEZNQCLSA-N 2 1 351.252 0.858 20 0 FCADMP COc1ccccc1N1CC[NH+](CCCNS(=O)(=O)CC[NH3+])CC1 ZINC001238596407 857473750 /nfs/dbraw/zinc/47/37/50/857473750.db2.gz RAHSVHDSJODAQK-UHFFFAOYSA-N 2 1 356.492 0.085 20 0 FCADMP C[N@H+]1CCC[C@H](CN2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501071 862917494 /nfs/dbraw/zinc/91/74/94/862917494.db2.gz BOTXHWXNASOLMY-MELADBBJSA-N 2 1 364.412 0.985 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239077008 857506837 /nfs/dbraw/zinc/50/68/37/857506837.db2.gz WBWHANCIWIRRPH-INIZCTEOSA-N 2 1 368.503 0.425 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245983006 857562853 /nfs/dbraw/zinc/56/28/53/857562853.db2.gz KPWYVAQNDXKDEM-IXJQEDDXSA-N 2 1 355.429 0.410 20 0 FCADMP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001245983448 857563233 /nfs/dbraw/zinc/56/32/33/857563233.db2.gz GQQUJTBFFAKUDB-XFKAJCMBSA-N 2 1 354.445 0.079 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024661 857564064 /nfs/dbraw/zinc/56/40/64/857564064.db2.gz IKZHXPLKACENKL-BVPBIZIASA-N 3 1 355.429 0.506 20 0 FCADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024661 857564078 /nfs/dbraw/zinc/56/40/78/857564078.db2.gz IKZHXPLKACENKL-BVPBIZIASA-N 2 1 355.429 0.506 20 0 FCADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001246019057 857564433 /nfs/dbraw/zinc/56/44/33/857564433.db2.gz HGONNGNCXJEDFD-IEBWSBKVSA-N 2 1 352.475 0.791 20 0 FCADMP [NH3+]CCOCCOCCOCCOCCN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246214946 857571613 /nfs/dbraw/zinc/57/16/13/857571613.db2.gz GYGHQLKIZAHDIK-KRWDZBQOSA-N 2 1 359.511 0.276 20 0 FCADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC001246280873 857573175 /nfs/dbraw/zinc/57/31/75/857573175.db2.gz SITZWMFIXUPYEV-GDBMZVCRSA-N 2 1 353.488 0.938 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246586949 857584996 /nfs/dbraw/zinc/58/49/96/857584996.db2.gz RXNNBNZBRLDDJE-WMLDXEAASA-N 2 1 353.488 0.400 20 0 FCADMP Cc1ccc(S(=O)(=O)N2CCC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)cc1 ZINC001246586949 857585009 /nfs/dbraw/zinc/58/50/09/857585009.db2.gz RXNNBNZBRLDDJE-WMLDXEAASA-N 2 1 353.488 0.400 20 0 FCADMP CC(C)(C)OC(=O)CN1CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246594608 857585550 /nfs/dbraw/zinc/58/55/50/857585550.db2.gz KEVVOQPCHWVCAC-UHFFFAOYSA-N 2 1 352.523 0.820 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620241 857587584 /nfs/dbraw/zinc/58/75/84/857587584.db2.gz XBLAOEBHJLRFQZ-SUJAAXHWSA-N 2 1 353.463 0.143 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620241 857587590 /nfs/dbraw/zinc/58/75/90/857587590.db2.gz XBLAOEBHJLRFQZ-SUJAAXHWSA-N 2 1 353.463 0.143 20 0 FCADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[C@H]1C(=O)OC ZINC001246620241 857587593 /nfs/dbraw/zinc/58/75/93/857587593.db2.gz XBLAOEBHJLRFQZ-SUJAAXHWSA-N 2 1 353.463 0.143 20 0 FCADMP O=C(c1nc2c(s1)CC[N@@H+](C1CC[NH2+]CC1)CC2)N1CCOCC1 ZINC001246702523 857592478 /nfs/dbraw/zinc/59/24/78/857592478.db2.gz PTGMLWQGMANZLE-UHFFFAOYSA-N 2 1 350.488 0.768 20 0 FCADMP O=C(c1nc2c(s1)CC[N@H+](C1CC[NH2+]CC1)CC2)N1CCOCC1 ZINC001246702523 857592484 /nfs/dbraw/zinc/59/24/84/857592484.db2.gz PTGMLWQGMANZLE-UHFFFAOYSA-N 2 1 350.488 0.768 20 0 FCADMP C[C@@H]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C[NH2+]1 ZINC001246729509 857593680 /nfs/dbraw/zinc/59/36/80/857593680.db2.gz ORBXSHRGPQMMCC-SJORKVTESA-N 3 1 351.539 0.297 20 0 FCADMP C[C@@H]1CC[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C[NH2+]1 ZINC001246729509 857593685 /nfs/dbraw/zinc/59/36/85/857593685.db2.gz ORBXSHRGPQMMCC-SJORKVTESA-N 3 1 351.539 0.297 20 0 FCADMP O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CC[NH2+]CC2)O1)N1CCCC1 ZINC001246728944 857594243 /nfs/dbraw/zinc/59/42/43/857594243.db2.gz JETRNJDKONMICU-KZNAEPCWSA-N 2 1 351.491 0.999 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CC[NH2+]1 ZINC001246736799 857595595 /nfs/dbraw/zinc/59/55/95/857595595.db2.gz BLIFIHISFLFFCO-ZKXLYKBJSA-N 2 1 351.491 0.570 20 0 FCADMP CS(=O)(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750404 857596844 /nfs/dbraw/zinc/59/68/44/857596844.db2.gz XTFHNYHQLMTTDA-DOTOQJQBSA-N 2 1 356.536 0.361 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936510 857606310 /nfs/dbraw/zinc/60/63/10/857606310.db2.gz LEUSFZANRJRBDL-KBMXLJTQSA-N 2 1 353.463 0.239 20 0 FCADMP COC(=O)[C@@H]1C[C@H](N2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)C[NH2+]1 ZINC001246936510 857606317 /nfs/dbraw/zinc/60/63/17/857606317.db2.gz LEUSFZANRJRBDL-KBMXLJTQSA-N 2 1 353.463 0.239 20 0 FCADMP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CC[C@H]([NH3+])C4)CC3)C[C@H](C1)N2 ZINC001246968526 857607849 /nfs/dbraw/zinc/60/78/49/857607849.db2.gz QNDFHJXJCZIBCX-XJADACSNSA-N 2 1 350.507 0.556 20 0 FCADMP COCC[N@H+]1CCOC[C@@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001249834143 857651357 /nfs/dbraw/zinc/65/13/57/857651357.db2.gz IIRUVMSBZAWEDV-KRWDZBQOSA-N 2 1 358.552 0.483 20 0 FCADMP O=C(CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)NCCc1cnc[nH]1 ZINC001251637569 857737559 /nfs/dbraw/zinc/73/75/59/857737559.db2.gz BUEOCYKLKMEJSX-NSHDSACASA-N 2 1 370.347 0.326 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001253184875 857868663 /nfs/dbraw/zinc/86/86/63/857868663.db2.gz MDOVQOUDWBVVRZ-AOIWGVFYSA-N 2 1 355.523 0.800 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001253184875 857868671 /nfs/dbraw/zinc/86/86/71/857868671.db2.gz MDOVQOUDWBVVRZ-AOIWGVFYSA-N 2 1 355.523 0.800 20 0 FCADMP CC[NH+](CC)C[C@@H](O)CN1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253182666 857869300 /nfs/dbraw/zinc/86/93/00/857869300.db2.gz SGXVEVGDRJGILF-MOPGFXCFSA-N 2 1 357.539 0.750 20 0 FCADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451271 857888901 /nfs/dbraw/zinc/88/89/01/857888901.db2.gz BDAKHIXXBIYUSB-TWMKSMIVSA-N 2 1 351.495 0.849 20 0 FCADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451271 857888905 /nfs/dbraw/zinc/88/89/05/857888905.db2.gz BDAKHIXXBIYUSB-TWMKSMIVSA-N 2 1 351.495 0.849 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451271 857888908 /nfs/dbraw/zinc/88/89/08/857888908.db2.gz BDAKHIXXBIYUSB-TWMKSMIVSA-N 2 1 351.495 0.849 20 0 FCADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]21 ZINC001253451271 857888912 /nfs/dbraw/zinc/88/89/12/857888912.db2.gz BDAKHIXXBIYUSB-TWMKSMIVSA-N 2 1 351.495 0.849 20 0 FCADMP CCOC(=O)C[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001253794917 857912828 /nfs/dbraw/zinc/91/28/28/857912828.db2.gz KPLGQJKUQKHRTM-INIZCTEOSA-N 2 1 350.463 0.651 20 0 FCADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC001254332588 857960319 /nfs/dbraw/zinc/96/03/19/857960319.db2.gz REPRZYKDIPCELM-UONOGXRCSA-N 2 1 354.476 0.325 20 0 FCADMP O=C(Cn1cc(Cl)cn1)N1CCO[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001279614610 862978777 /nfs/dbraw/zinc/97/87/77/862978777.db2.gz ALWJZCVCZMMLGP-HOTGVXAUSA-N 2 1 367.881 0.448 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCOC2)C[C@]2(CCCC(=O)N2)C1 ZINC001279618379 862983631 /nfs/dbraw/zinc/98/36/31/862983631.db2.gz WHNBUSLQCBHVQC-HKUYNNGSSA-N 2 1 352.523 0.631 20 0 FCADMP O=S1(=O)CCN(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601472 858091778 /nfs/dbraw/zinc/09/17/78/858091778.db2.gz QNIOXDQWELPVBT-UHFFFAOYSA-N 2 1 351.516 0.971 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC001262064358 858769448 /nfs/dbraw/zinc/76/94/48/858769448.db2.gz YWMOSNFLDCMJQT-CABCVRRESA-N 2 1 356.511 0.483 20 0 FCADMP CCC[NH+]1CCC(N(C)c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001262212695 858821301 /nfs/dbraw/zinc/82/13/01/858821301.db2.gz URADSBDLSDQXTI-UHFFFAOYSA-N 2 1 351.499 0.706 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482543 858957234 /nfs/dbraw/zinc/95/72/34/858957234.db2.gz FSDXGHIBVMOPAW-MGPQQGTHSA-N 2 1 366.535 0.989 20 0 FCADMP Cn1c(CCC(N)=O)nn(C[N@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482543 858957239 /nfs/dbraw/zinc/95/72/39/858957239.db2.gz FSDXGHIBVMOPAW-MGPQQGTHSA-N 2 1 366.535 0.989 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001262591075 859012499 /nfs/dbraw/zinc/01/24/99/859012499.db2.gz FJDSPJJKMYEPTK-CVEARBPZSA-N 2 1 354.495 0.291 20 0 FCADMP C[C@@H](C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592338 859484839 /nfs/dbraw/zinc/48/48/39/859484839.db2.gz PGSLVTCGPVHWHZ-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592338 859484843 /nfs/dbraw/zinc/48/48/43/859484843.db2.gz PGSLVTCGPVHWHZ-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592338 859484848 /nfs/dbraw/zinc/48/48/48/859484848.db2.gz PGSLVTCGPVHWHZ-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP C[C@@H](C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1)CS(C)(=O)=O ZINC001266592338 859484850 /nfs/dbraw/zinc/48/48/50/859484850.db2.gz PGSLVTCGPVHWHZ-SQWLQELKSA-N 2 1 359.536 0.588 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001270175437 859677983 /nfs/dbraw/zinc/67/79/83/859677983.db2.gz FHCBTMRSQMMIPJ-LJQANCHMSA-N 2 1 353.507 0.530 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001270175437 859677992 /nfs/dbraw/zinc/67/79/92/859677992.db2.gz FHCBTMRSQMMIPJ-LJQANCHMSA-N 2 1 353.507 0.530 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC001270332506 859719195 /nfs/dbraw/zinc/71/91/95/859719195.db2.gz KKMXNBDHCAGWEJ-APWZRJJASA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CCCC2)CC[N@H+]1C ZINC001270750338 859836964 /nfs/dbraw/zinc/83/69/64/859836964.db2.gz XNSXRMDRMNZXGD-OWCLPIDISA-N 2 1 371.547 0.780 20 0 FCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)C1 ZINC001271651462 859985076 /nfs/dbraw/zinc/98/50/76/859985076.db2.gz UIRFALRQMFVOAR-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657849 859987665 /nfs/dbraw/zinc/98/76/65/859987665.db2.gz DXRVQXGHVFGPNR-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP C[NH+](C)CCN1CCO[C@]2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001272744700 860244390 /nfs/dbraw/zinc/24/43/90/860244390.db2.gz LLHXUPQOGANZRZ-IEBWSBKVSA-N 2 1 352.523 0.726 20 0 FCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273384219 860473283 /nfs/dbraw/zinc/47/32/83/860473283.db2.gz GNWZMCBKDRMQFW-IAOVAPTHSA-N 2 1 358.433 0.132 20 0 FCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273384219 860473289 /nfs/dbraw/zinc/47/32/89/860473289.db2.gz GNWZMCBKDRMQFW-IAOVAPTHSA-N 2 1 358.433 0.132 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001273404769 860480373 /nfs/dbraw/zinc/48/03/73/860480373.db2.gz KIYOUAQLNOZHTD-UHFFFAOYSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273452926 860494097 /nfs/dbraw/zinc/49/40/97/860494097.db2.gz FSUFFWHCRCGBAG-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001273511916 860514422 /nfs/dbraw/zinc/51/44/22/860514422.db2.gz NIZUYAYLZNKJJY-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001273511916 860514432 /nfs/dbraw/zinc/51/44/32/860514432.db2.gz NIZUYAYLZNKJJY-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001273511916 860514444 /nfs/dbraw/zinc/51/44/44/860514444.db2.gz NIZUYAYLZNKJJY-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666124 860561370 /nfs/dbraw/zinc/56/13/70/860561370.db2.gz HAEITOVHMFNHBR-OAHLLOKOSA-N 2 1 368.547 0.483 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001274178934 860699522 /nfs/dbraw/zinc/69/95/22/860699522.db2.gz JXNLYVXMQZBAJL-INIZCTEOSA-N 2 1 350.507 0.907 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001274405699 860744291 /nfs/dbraw/zinc/74/42/91/860744291.db2.gz ZDFSNGCBPDTUQD-UHFFFAOYSA-N 2 1 350.507 0.875 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C[C@H]2CC1 ZINC001275226448 860993689 /nfs/dbraw/zinc/99/36/89/860993689.db2.gz NXSHKEQTHHQRBW-WNKDZCFJSA-N 2 1 350.507 0.585 20 0 FCADMP COC(CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O)OC ZINC001275507875 861115592 /nfs/dbraw/zinc/11/55/92/861115592.db2.gz LEWITGTYTLVPSD-SFHVURJKSA-N 2 1 357.495 0.496 20 0 FCADMP COC(CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O)OC ZINC001275507875 861115594 /nfs/dbraw/zinc/11/55/94/861115594.db2.gz LEWITGTYTLVPSD-SFHVURJKSA-N 2 1 357.495 0.496 20 0 FCADMP CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556420 861127581 /nfs/dbraw/zinc/12/75/81/861127581.db2.gz KKPZKULVKIMSON-IBGZPJMESA-N 2 1 350.507 0.731 20 0 FCADMP COC(CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275556436 861127726 /nfs/dbraw/zinc/12/77/26/861127726.db2.gz KTWPPNPSEXUYRZ-SFHVURJKSA-N 2 1 355.479 0.250 20 0 FCADMP COCCOCN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557040 861129569 /nfs/dbraw/zinc/12/95/69/861129569.db2.gz SZJUFPMPGONUJI-GOSISDBHSA-N 2 1 355.479 0.252 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275736120 861179028 /nfs/dbraw/zinc/17/90/28/861179028.db2.gz BHELYHMTQNLNQO-KBXCAEBGSA-N 2 1 353.463 0.241 20 0 FCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001275736797 861180236 /nfs/dbraw/zinc/18/02/36/861180236.db2.gz HIFIZCXALWLKHF-LPHOPBHVSA-N 2 1 350.507 0.955 20 0 FCADMP O=C1N(CCn2ccnc2)C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275738292 861181721 /nfs/dbraw/zinc/18/17/21/861181721.db2.gz XWVKECOMYBLWLC-DLBZAZTESA-N 2 1 353.417 0.457 20 0 FCADMP O=C1N(CCn2ccnc2)C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275738292 861181726 /nfs/dbraw/zinc/18/17/26/861181726.db2.gz XWVKECOMYBLWLC-DLBZAZTESA-N 2 1 353.417 0.457 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275738457 861182132 /nfs/dbraw/zinc/18/21/32/861182132.db2.gz ZPBXCDSJRXSQAP-QGZVFWFLSA-N 2 1 357.520 0.345 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(C[NH+](C[C@@H]4CCOC4)C3)O2)CC1 ZINC001279892375 863119221 /nfs/dbraw/zinc/11/92/21/863119221.db2.gz GPWHGWWLWMLSLP-DOTOQJQBSA-N 2 1 351.491 0.809 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001279993102 863170744 /nfs/dbraw/zinc/17/07/44/863170744.db2.gz JRGNBTKLWSRFHT-HOTGVXAUSA-N 2 1 369.579 0.830 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N(C)C ZINC001279993102 863170752 /nfs/dbraw/zinc/17/07/52/863170752.db2.gz JRGNBTKLWSRFHT-HOTGVXAUSA-N 2 1 369.579 0.830 20 0 FCADMP CC[NH+](CC)CCCNC(=S)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279992878 863170936 /nfs/dbraw/zinc/17/09/36/863170936.db2.gz FZTZZSZQEDNMLI-SFHVURJKSA-N 2 1 369.579 0.879 20 0 FCADMP COC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053054 863220421 /nfs/dbraw/zinc/22/04/21/863220421.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 1 350.463 0.715 20 0 FCADMP COC[C@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053054 863220434 /nfs/dbraw/zinc/22/04/34/863220434.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 1 350.463 0.715 20 0 FCADMP COC[C@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001280053054 863220451 /nfs/dbraw/zinc/22/04/51/863220451.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 2 1 350.463 0.715 20 0 FCADMP Cn1cnc(S(=O)(=O)N2CC3(C2)CCC[N@H+](C2CCN(C)CC2)C3)c1 ZINC001280070881 863242626 /nfs/dbraw/zinc/24/26/26/863242626.db2.gz FABWDFAINLVCRT-UHFFFAOYSA-N 2 1 367.519 0.601 20 0 FCADMP Cc1ncsc1C[N@H+]1CCC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280074309 863247199 /nfs/dbraw/zinc/24/71/99/863247199.db2.gz OSIMRKMTMJPQPE-UHFFFAOYSA-N 2 1 363.531 0.733 20 0 FCADMP Cc1ncsc1C[N@@H+]1CCC2(CN(CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280074309 863247214 /nfs/dbraw/zinc/24/72/14/863247214.db2.gz OSIMRKMTMJPQPE-UHFFFAOYSA-N 2 1 363.531 0.733 20 0 FCADMP COCCC[NH+]1CCC([NH+]2CCC(C(=O)NCC3COC3)CC2)CC1 ZINC001280096182 863264150 /nfs/dbraw/zinc/26/41/50/863264150.db2.gz LSTWXAIQDBONIT-UHFFFAOYSA-N 2 1 353.507 0.962 20 0 FCADMP CCSCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](COCCOC)C[C@H]12 ZINC001280176839 863308744 /nfs/dbraw/zinc/30/87/44/863308744.db2.gz NSHUYKVEFNBFES-HZPDHXFCSA-N 2 1 371.547 0.872 20 0 FCADMP C[C@H](O)C[N@H+]1CCC[C@@]2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CCO2)C1 ZINC001280183453 863313681 /nfs/dbraw/zinc/31/36/81/863313681.db2.gz CDIJNXSYGQOIEJ-IEZWGBDMSA-N 2 1 351.491 0.545 20 0 FCADMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3C[N@@H+](C[C@H]4CCCO4)C[C@H]23)CC1 ZINC001280191154 863319729 /nfs/dbraw/zinc/31/97/29/863319729.db2.gz FGCZLKYDDLETFL-OWCLPIDISA-N 2 1 350.463 0.405 20 0 FCADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280210931 863339663 /nfs/dbraw/zinc/33/96/63/863339663.db2.gz JYKPRCPBPNGJRT-LSDHHAIUSA-N 2 1 350.463 0.168 20 0 FCADMP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CC[C@@H](C(=O)NCC2COC2)O3)CC1 ZINC001280211204 863340889 /nfs/dbraw/zinc/34/08/89/863340889.db2.gz PMCNTAKRZNKJJV-INIZCTEOSA-N 2 1 351.491 0.714 20 0 FCADMP CN(C)CC[N@@H+]1C[C@H]2C[C@@H](CC(=O)N3CCC([NH+](C)C)CC3)O[C@H]2C1 ZINC001280218199 863343655 /nfs/dbraw/zinc/34/36/55/863343655.db2.gz GYEQIQIHJUBIDY-NJAFHUGGSA-N 2 1 352.523 0.580 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C[C@@H](CC(=O)N3CCC([NH+](C)C)CC3)O[C@H]2C1 ZINC001280218199 863343667 /nfs/dbraw/zinc/34/36/67/863343667.db2.gz GYEQIQIHJUBIDY-NJAFHUGGSA-N 2 1 352.523 0.580 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280225736 863347913 /nfs/dbraw/zinc/34/79/13/863347913.db2.gz UWUULEHCFUXTJD-IAGOWNOFSA-N 2 1 351.539 0.012 20 0 FCADMP C[NH+](C)CC1(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CCCC1 ZINC001280238427 863355730 /nfs/dbraw/zinc/35/57/30/863355730.db2.gz YRRBQVMKAOMQOZ-CRAIPNDOSA-N 2 1 371.547 0.591 20 0 FCADMP C[NH+](C)CC1(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CCCC1 ZINC001280238427 863355738 /nfs/dbraw/zinc/35/57/38/863355738.db2.gz YRRBQVMKAOMQOZ-CRAIPNDOSA-N 2 1 371.547 0.591 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001280258213 863364131 /nfs/dbraw/zinc/36/41/31/863364131.db2.gz LKJPLMACDTXXCW-CVEARBPZSA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280258182 863364664 /nfs/dbraw/zinc/36/46/64/863364664.db2.gz ZZUDOPNFDDZGQY-OAHLLOKOSA-N 2 1 357.520 0.201 20 0 FCADMP COCCN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280259739 863366284 /nfs/dbraw/zinc/36/62/84/863366284.db2.gz ZVUGTIDENBMQGU-DLBZAZTESA-N 2 1 353.507 0.772 20 0 FCADMP COCCN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280259739 863366291 /nfs/dbraw/zinc/36/62/91/863366291.db2.gz ZVUGTIDENBMQGU-DLBZAZTESA-N 2 1 353.507 0.772 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)N3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280302834 863395868 /nfs/dbraw/zinc/39/58/68/863395868.db2.gz OLZJCFAWGCJNJX-IYBDPMFKSA-N 2 1 351.495 0.086 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)N3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280302834 863395884 /nfs/dbraw/zinc/39/58/84/863395884.db2.gz OLZJCFAWGCJNJX-IYBDPMFKSA-N 2 1 351.495 0.086 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC001282300777 864178509 /nfs/dbraw/zinc/17/85/09/864178509.db2.gz DQYPLJAFGFUEKA-IXDOHACOSA-N 2 1 352.523 0.975 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1)[NH+](C)C ZINC001289501051 865102394 /nfs/dbraw/zinc/10/23/94/865102394.db2.gz LTUZDLWUQZAMIR-BZUAXINKSA-N 2 1 354.495 0.153 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294457492 865836103 /nfs/dbraw/zinc/83/61/03/865836103.db2.gz MQZDKCATKUOJGI-SJLPKXTDSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294457492 865836115 /nfs/dbraw/zinc/83/61/15/865836115.db2.gz MQZDKCATKUOJGI-SJLPKXTDSA-N 2 1 350.511 0.821 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294457492 865836126 /nfs/dbraw/zinc/83/61/26/865836126.db2.gz MQZDKCATKUOJGI-SJLPKXTDSA-N 2 1 350.511 0.821 20 0 FCADMP CN(C[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CC(F)(F)F ZINC001307569193 866665343 /nfs/dbraw/zinc/66/53/43/866665343.db2.gz PXUHAUNOQAFYJF-HUUCEWRRSA-N 2 1 352.445 0.553 20 0 FCADMP CN(C[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CC(F)(F)F ZINC001307569193 866665347 /nfs/dbraw/zinc/66/53/47/866665347.db2.gz PXUHAUNOQAFYJF-HUUCEWRRSA-N 2 1 352.445 0.553 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001350742640 866675829 /nfs/dbraw/zinc/67/58/29/866675829.db2.gz HKJICERPPUOYDV-OWCLPIDISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001316697614 867405405 /nfs/dbraw/zinc/40/54/05/867405405.db2.gz UMLMQJCZDUATSG-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC001353511616 867442410 /nfs/dbraw/zinc/44/24/10/867442410.db2.gz QSVBFHMFFFPJBK-HNNXBMFYSA-N 2 1 351.495 0.180 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1)[NH+](C)C ZINC001316758597 867460014 /nfs/dbraw/zinc/46/00/14/867460014.db2.gz ITAGFXSVXBUUJF-PMPSAXMXSA-N 2 1 359.536 0.542 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001353633503 867460642 /nfs/dbraw/zinc/46/06/42/867460642.db2.gz LFONKLHCHKAADY-NVXWUHKLSA-N 2 1 350.438 0.788 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001318696751 867728768 /nfs/dbraw/zinc/72/87/68/867728768.db2.gz SWSGLYSPPXYINP-GEEKYZPCSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC001318696751 867728782 /nfs/dbraw/zinc/72/87/82/867728782.db2.gz SWSGLYSPPXYINP-GEEKYZPCSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)COCC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC001318696751 867728796 /nfs/dbraw/zinc/72/87/96/867728796.db2.gz SWSGLYSPPXYINP-GEEKYZPCSA-N 2 1 354.495 0.201 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001318718298 867733789 /nfs/dbraw/zinc/73/37/89/867733789.db2.gz OWVMNOSFBSSMTM-CVEARBPZSA-N 2 1 353.511 0.711 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(C)n1C ZINC001318832225 867759576 /nfs/dbraw/zinc/75/95/76/867759576.db2.gz AOUPIWNOZNLLRQ-HNNXBMFYSA-N 2 1 351.499 0.681 20 0 FCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546640 868511569 /nfs/dbraw/zinc/51/15/69/868511569.db2.gz HNEVHHDLXSHDCI-RHSMWYFYSA-N 2 1 354.520 0.237 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001321982026 868690838 /nfs/dbraw/zinc/69/08/38/868690838.db2.gz CRDLVNRTPDMPIS-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)cn2)CC1 ZINC001323457345 869200636 /nfs/dbraw/zinc/20/06/36/869200636.db2.gz ZSZQOVKBOWOWMM-CQSZACIVSA-N 2 1 353.492 0.143 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001325429039 869889356 /nfs/dbraw/zinc/88/93/56/869889356.db2.gz VBKGGOZOMJLITG-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001325429039 869889373 /nfs/dbraw/zinc/88/93/73/869889373.db2.gz VBKGGOZOMJLITG-LVQVYYBASA-N 2 1 354.495 0.201 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539295 870371417 /nfs/dbraw/zinc/37/14/17/870371417.db2.gz LYDLRBYLOKVGFB-LMSBXDPUSA-N 2 1 351.491 0.985 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)NC(=O)N[C@@H]1C ZINC001326584292 870395650 /nfs/dbraw/zinc/39/56/50/870395650.db2.gz VFJXUIVLTFLCHZ-CYBMUJFWSA-N 2 1 350.463 0.971 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001343886866 870649851 /nfs/dbraw/zinc/64/98/51/870649851.db2.gz GTXADERYORSTDA-NUJGCVRESA-N 2 1 352.523 0.974 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21 ZINC001343935157 870674295 /nfs/dbraw/zinc/67/42/95/870674295.db2.gz MEFIRSKZVIRQLC-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001343935157 870674303 /nfs/dbraw/zinc/67/43/03/870674303.db2.gz MEFIRSKZVIRQLC-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001343935157 870674310 /nfs/dbraw/zinc/67/43/10/870674310.db2.gz MEFIRSKZVIRQLC-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001327498167 870908854 /nfs/dbraw/zinc/90/88/54/870908854.db2.gz ICEFIRVKVCXNAB-KBPBESRZSA-N 2 1 363.428 0.702 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001328592362 871530175 /nfs/dbraw/zinc/53/01/75/871530175.db2.gz SCPPQRLOTPKTFX-IRXDYDNUSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H](CCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCCCC1 ZINC001346158520 871675005 /nfs/dbraw/zinc/67/50/05/871675005.db2.gz CMRMPOJEIGAVJT-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H](CCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCCCC1 ZINC001346158520 871675020 /nfs/dbraw/zinc/67/50/20/871675020.db2.gz CMRMPOJEIGAVJT-INIZCTEOSA-N 2 1 354.495 0.999 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329023359 871780914 /nfs/dbraw/zinc/78/09/14/871780914.db2.gz KDSUYSNTIFYAMV-MRXNPFEDSA-N 2 1 350.507 0.779 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)C2 ZINC001346537623 871891589 /nfs/dbraw/zinc/89/15/89/871891589.db2.gz KWCPJUVGJIKLHL-UONOGXRCSA-N 2 1 365.503 0.611 20 0 FCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001329520467 872087642 /nfs/dbraw/zinc/08/76/42/872087642.db2.gz IKSIZFUBJJAAAN-HUUCEWRRSA-N 2 1 354.495 0.047 20 0 FCADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001330006952 872415247 /nfs/dbraw/zinc/41/52/47/872415247.db2.gz CVRLSMILIIUXAI-ZACQAIPSSA-N 2 1 353.532 0.871 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164104 872499955 /nfs/dbraw/zinc/49/99/55/872499955.db2.gz YEDGREFGKWFPJP-AWEZNQCLSA-N 2 1 354.470 0.622 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164104 872499959 /nfs/dbraw/zinc/49/99/59/872499959.db2.gz YEDGREFGKWFPJP-AWEZNQCLSA-N 2 1 354.470 0.622 20 0 FCADMP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001330866751 872851564 /nfs/dbraw/zinc/85/15/64/872851564.db2.gz KJLDOIDBMOWJRC-IRXDYDNUSA-N 2 1 367.515 0.429 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331906810 873298971 /nfs/dbraw/zinc/29/89/71/873298971.db2.gz XNSPICAMOQUKER-DLBZAZTESA-N 2 1 353.511 0.163 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963638 873316063 /nfs/dbraw/zinc/31/60/63/873316063.db2.gz IFULMJRULWBULB-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(C)(C)C1 ZINC001331963638 873316079 /nfs/dbraw/zinc/31/60/79/873316079.db2.gz IFULMJRULWBULB-HUUCEWRRSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCS(N)(=O)=O)CC2)CC1 ZINC001332907176 873709024 /nfs/dbraw/zinc/70/90/24/873709024.db2.gz JSPCUAAWIAZXFG-UHFFFAOYSA-N 2 1 374.551 0.368 20 0 FCADMP CC1(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001333618203 874010426 /nfs/dbraw/zinc/01/04/26/874010426.db2.gz KYHOZCIKHONOTE-INIZCTEOSA-N 2 1 353.511 0.224 20 0 FCADMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826193012 947589364 /nfs/dbraw/zinc/58/93/64/947589364.db2.gz MAKQGJJDKHMEPG-UHFFFAOYSA-N 2 1 359.478 0.945 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360646 948122168 /nfs/dbraw/zinc/12/21/68/948122168.db2.gz SGTLLLRPMQRKBC-HUUCEWRRSA-N 2 1 350.430 0.918 20 0 FCADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717479 949735393 /nfs/dbraw/zinc/73/53/93/949735393.db2.gz WCNVCQFDCHAPHK-QWHCGFSZSA-N 2 1 358.450 0.284 20 0 FCADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574158030 950266938 /nfs/dbraw/zinc/26/69/38/950266938.db2.gz NBZDSFXAUWZJRG-UONOGXRCSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208995 950620840 /nfs/dbraw/zinc/62/08/40/950620840.db2.gz XZCPWPLIVOZSLU-KGLIPLIRSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063302 951965174 /nfs/dbraw/zinc/96/51/74/951965174.db2.gz KGAOHPHUGRYFKH-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063302 951965179 /nfs/dbraw/zinc/96/51/79/951965179.db2.gz KGAOHPHUGRYFKH-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571063302 951965182 /nfs/dbraw/zinc/96/51/82/951965182.db2.gz KGAOHPHUGRYFKH-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077100 952116967 /nfs/dbraw/zinc/11/69/67/952116967.db2.gz YQZGWQOUKZLQBV-KPWCQOOUSA-N 2 1 370.461 0.616 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078864 952134879 /nfs/dbraw/zinc/13/48/79/952134879.db2.gz VQOVMSOFXWQFOW-XEZPLFJOSA-N 2 1 370.461 0.535 20 0 FCADMP Cc1cc(N2CC[C@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571078951 952136020 /nfs/dbraw/zinc/13/60/20/952136020.db2.gz YSNDJUFNTOUPJN-KDOFPFPSSA-N 2 1 370.461 0.749 20 0 FCADMP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575147790 952200794 /nfs/dbraw/zinc/20/07/94/952200794.db2.gz WDRATCWXXZILQY-GFCCVEGCSA-N 2 1 358.450 0.427 20 0 FCADMP COc1cc(C[NH+](C)CCOCCO)cc(C[N@@H+](C)CCOCCO)c1 ZINC000292944613 214132599 /nfs/dbraw/zinc/13/25/99/214132599.db2.gz NSCTWAXPMJVDJN-UHFFFAOYSA-N 2 1 370.490 0.577 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000293205066 214154559 /nfs/dbraw/zinc/15/45/59/214154559.db2.gz WNKRJQXCMFAKKT-UHFFFAOYSA-N 2 1 359.430 0.808 20 0 FCADMP COc1cc(C[NH+](CCO)C[C@@H](C)O)cc(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000293331792 214165372 /nfs/dbraw/zinc/16/53/72/214165372.db2.gz MQEBNCUWYAVBLU-HZPDHXFCSA-N 2 1 370.490 0.045 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294731951 214262261 /nfs/dbraw/zinc/26/22/61/214262261.db2.gz XLKFTOSHGROTON-UHFFFAOYSA-N 2 1 370.457 0.894 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC000294828213 214266099 /nfs/dbraw/zinc/26/60/99/214266099.db2.gz DHARNFUFZUSDIY-QGZVFWFLSA-N 2 1 368.441 0.646 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294828213 214266101 /nfs/dbraw/zinc/26/61/01/214266101.db2.gz DHARNFUFZUSDIY-QGZVFWFLSA-N 2 1 368.441 0.646 20 0 FCADMP COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000295024009 214274657 /nfs/dbraw/zinc/27/46/57/214274657.db2.gz KYDXKORDATWUAF-SFHVURJKSA-N 2 1 363.462 0.240 20 0 FCADMP COC[C@]1(C(=O)OC)CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000295024009 214274659 /nfs/dbraw/zinc/27/46/59/214274659.db2.gz KYDXKORDATWUAF-SFHVURJKSA-N 2 1 363.462 0.240 20 0 FCADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000410614943 529407834 /nfs/dbraw/zinc/40/78/34/529407834.db2.gz MYYNPHCGTVQTFU-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000410614943 529407836 /nfs/dbraw/zinc/40/78/36/529407836.db2.gz MYYNPHCGTVQTFU-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000410614943 529407839 /nfs/dbraw/zinc/40/78/39/529407839.db2.gz MYYNPHCGTVQTFU-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000410614943 529407840 /nfs/dbraw/zinc/40/78/40/529407840.db2.gz MYYNPHCGTVQTFU-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cn1 ZINC000265831526 210230043 /nfs/dbraw/zinc/23/00/43/210230043.db2.gz DUAFNVVXBNYBNK-UHFFFAOYSA-N 2 1 358.446 0.832 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000410956082 529697043 /nfs/dbraw/zinc/69/70/43/529697043.db2.gz VURIPDWWZFAIFS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000410956082 529697045 /nfs/dbraw/zinc/69/70/45/529697045.db2.gz VURIPDWWZFAIFS-GVDBMIGSSA-N 2 1 350.507 0.872 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)C1 ZINC000410779412 529798604 /nfs/dbraw/zinc/79/86/04/529798604.db2.gz JTSAZAYRLMAKAI-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410779412 529798605 /nfs/dbraw/zinc/79/86/05/529798605.db2.gz JTSAZAYRLMAKAI-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410779412 529798606 /nfs/dbraw/zinc/79/86/06/529798606.db2.gz JTSAZAYRLMAKAI-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)C1 ZINC000410779411 529799301 /nfs/dbraw/zinc/79/93/01/529799301.db2.gz JTSAZAYRLMAKAI-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000410779411 529799303 /nfs/dbraw/zinc/79/93/03/529799303.db2.gz JTSAZAYRLMAKAI-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000410779411 529799305 /nfs/dbraw/zinc/79/93/05/529799305.db2.gz JTSAZAYRLMAKAI-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000410841132 529861755 /nfs/dbraw/zinc/86/17/55/529861755.db2.gz GSAAZPDQAQTQHN-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410841132 529861756 /nfs/dbraw/zinc/86/17/56/529861756.db2.gz GSAAZPDQAQTQHN-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410841132 529861758 /nfs/dbraw/zinc/86/17/58/529861758.db2.gz GSAAZPDQAQTQHN-XLIONFOSSA-N 2 1 362.518 0.731 20 0 FCADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000265579112 210170705 /nfs/dbraw/zinc/17/07/05/210170705.db2.gz XZAAZNNIVDCCDL-INIZCTEOSA-N 2 1 354.476 0.302 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000331484357 215003491 /nfs/dbraw/zinc/00/34/91/215003491.db2.gz UPJFWOUYHPOVPW-IKGGRYGDSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331648841 215029237 /nfs/dbraw/zinc/02/92/37/215029237.db2.gz JZEHARSJHGGBPK-IIDMSEBBSA-N 2 1 368.547 0.625 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331648841 215029239 /nfs/dbraw/zinc/02/92/39/215029239.db2.gz JZEHARSJHGGBPK-IIDMSEBBSA-N 2 1 368.547 0.625 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331690014 215035386 /nfs/dbraw/zinc/03/53/86/215035386.db2.gz UQDGLIQSEKPZRY-QZWWFDLISA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331690014 215035389 /nfs/dbraw/zinc/03/53/89/215035389.db2.gz UQDGLIQSEKPZRY-QZWWFDLISA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)[N@H+](C)C1 ZINC000331690014 215035392 /nfs/dbraw/zinc/03/53/92/215035392.db2.gz UQDGLIQSEKPZRY-QZWWFDLISA-N 2 1 366.506 0.249 20 0 FCADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)[N@@H+](C)C1 ZINC000331690014 215035396 /nfs/dbraw/zinc/03/53/96/215035396.db2.gz UQDGLIQSEKPZRY-QZWWFDLISA-N 2 1 366.506 0.249 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000331895304 215063149 /nfs/dbraw/zinc/06/31/49/215063149.db2.gz OYNQHRWMAYOQNC-DLBZAZTESA-N 2 1 366.506 0.252 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000331945268 215070303 /nfs/dbraw/zinc/07/03/03/215070303.db2.gz HBHBBBKVRLLBQD-RDJZCZTQSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000331999914 215077604 /nfs/dbraw/zinc/07/76/04/215077604.db2.gz BOJKFZRQICKRHR-KKUMJFAQSA-N 2 1 352.479 0.084 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000332017049 215080133 /nfs/dbraw/zinc/08/01/33/215080133.db2.gz LDEDEFOTWLUJRU-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000332017049 215080136 /nfs/dbraw/zinc/08/01/36/215080136.db2.gz LDEDEFOTWLUJRU-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000332017049 215080138 /nfs/dbraw/zinc/08/01/38/215080138.db2.gz LDEDEFOTWLUJRU-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000332017049 215080141 /nfs/dbraw/zinc/08/01/41/215080141.db2.gz LDEDEFOTWLUJRU-IRXDYDNUSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000332050086 215084114 /nfs/dbraw/zinc/08/41/14/215084114.db2.gz LQPZMYCNVZPFHH-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332133188 215099414 /nfs/dbraw/zinc/09/94/14/215099414.db2.gz IPVQGKPYBSLCIB-RDHHWEPZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332334816 215132880 /nfs/dbraw/zinc/13/28/80/215132880.db2.gz VNXJZVYKCULIQX-BZZMCLGOSA-N 2 1 358.486 0.738 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000332386479 215142169 /nfs/dbraw/zinc/14/21/69/215142169.db2.gz YCRMOUDDSDTLFF-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000332386487 215142976 /nfs/dbraw/zinc/14/29/76/215142976.db2.gz YCRMOUDDSDTLFF-PVAVHDDUSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332375782 215140033 /nfs/dbraw/zinc/14/00/33/215140033.db2.gz RMGZSXNDGWMQJZ-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000332420115 215149815 /nfs/dbraw/zinc/14/98/15/215149815.db2.gz BQCDNDVIOXUJEN-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@@H]1C ZINC000332436932 215151913 /nfs/dbraw/zinc/15/19/13/215151913.db2.gz AVXGOECPAOWGMM-YDHLFZDLSA-N 2 1 359.474 0.777 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@@H]1C ZINC000332436932 215151917 /nfs/dbraw/zinc/15/19/17/215151917.db2.gz AVXGOECPAOWGMM-YDHLFZDLSA-N 2 1 359.474 0.777 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000332480589 215159019 /nfs/dbraw/zinc/15/90/19/215159019.db2.gz MLDHBRPGWLGXNO-YOEHRIQHSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000332480589 215159022 /nfs/dbraw/zinc/15/90/22/215159022.db2.gz MLDHBRPGWLGXNO-YOEHRIQHSA-N 2 1 359.474 0.635 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000332592757 215186607 /nfs/dbraw/zinc/18/66/07/215186607.db2.gz MIXMSDYVRRBAQT-NVXWUHKLSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H](CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000332820174 215213000 /nfs/dbraw/zinc/21/30/00/215213000.db2.gz ZYGHJUXXNAVUGG-SQNIBIBYSA-N 2 1 367.538 0.375 20 0 FCADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333095719 215236040 /nfs/dbraw/zinc/23/60/40/215236040.db2.gz DARQHCCTTUHPAB-SJORKVTESA-N 2 1 355.438 0.983 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333131713 215239728 /nfs/dbraw/zinc/23/97/28/215239728.db2.gz BUJCQJDALDBQBB-FGTMMUONSA-N 2 1 372.517 0.843 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214699 215251297 /nfs/dbraw/zinc/25/12/97/215251297.db2.gz CGMQWCLJQRTPNJ-NFAWXSAZSA-N 2 1 353.467 0.489 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CC(C)(C)O ZINC000333282120 215258666 /nfs/dbraw/zinc/25/86/66/215258666.db2.gz PPSNVYZJOQTAFK-RHSMWYFYSA-N 2 1 358.552 0.910 20 0 FCADMP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000333359548 215269211 /nfs/dbraw/zinc/26/92/11/215269211.db2.gz CQLGCUVGTBMPKF-GJZGRUSLSA-N 2 1 357.520 0.486 20 0 FCADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000333359548 215269214 /nfs/dbraw/zinc/26/92/14/215269214.db2.gz CQLGCUVGTBMPKF-GJZGRUSLSA-N 2 1 357.520 0.486 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333381183 215272124 /nfs/dbraw/zinc/27/21/24/215272124.db2.gz NORIXNFGGWVSIG-MRXNPFEDSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333396914 215274601 /nfs/dbraw/zinc/27/46/01/215274601.db2.gz PLWDAGBZBLLURK-FGTMMUONSA-N 2 1 372.517 0.986 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333491093 215288092 /nfs/dbraw/zinc/28/80/92/215288092.db2.gz DHQPRVAQIDTRQF-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000333494938 215290302 /nfs/dbraw/zinc/29/03/02/215290302.db2.gz DSZNXIFLJGYXPW-MGPQQGTHSA-N 2 1 363.428 0.558 20 0 FCADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644632 215305399 /nfs/dbraw/zinc/30/53/99/215305399.db2.gz XXOVHPKISNXSOQ-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000333664303 215306958 /nfs/dbraw/zinc/30/69/58/215306958.db2.gz BMTINEUZPAHQIN-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000333664303 215306961 /nfs/dbraw/zinc/30/69/61/215306961.db2.gz BMTINEUZPAHQIN-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000333664303 215306964 /nfs/dbraw/zinc/30/69/64/215306964.db2.gz BMTINEUZPAHQIN-MWDXBVQZSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C2CC2)C1 ZINC000333690687 215309379 /nfs/dbraw/zinc/30/93/79/215309379.db2.gz BRRJSXMTWFGGKX-HNNXBMFYSA-N 2 1 351.495 0.276 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+](C2CC2)C1 ZINC000333690687 215309382 /nfs/dbraw/zinc/30/93/82/215309382.db2.gz BRRJSXMTWFGGKX-HNNXBMFYSA-N 2 1 351.495 0.276 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333761727 215316839 /nfs/dbraw/zinc/31/68/39/215316839.db2.gz APKSEBRKBKZBDK-NUJGCVRESA-N 2 1 365.522 0.759 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000333771955 215317783 /nfs/dbraw/zinc/31/77/83/215317783.db2.gz CDHXFGVQBBGBNS-KRWDZBQOSA-N 2 1 365.522 0.700 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C[C@@H]21 ZINC000333784604 215318286 /nfs/dbraw/zinc/31/82/86/215318286.db2.gz CEQKWBLXMKEKMU-SJORKVTESA-N 2 1 358.490 0.679 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000333832985 215323548 /nfs/dbraw/zinc/32/35/48/215323548.db2.gz MUNGXRQFCXCDOE-ZWKOTPCHSA-N 2 1 367.538 0.422 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333824299 215323695 /nfs/dbraw/zinc/32/36/95/215323695.db2.gz LIPFAKGKNYZZKN-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333824299 215323697 /nfs/dbraw/zinc/32/36/97/215323697.db2.gz LIPFAKGKNYZZKN-HOTGVXAUSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000333852285 215324039 /nfs/dbraw/zinc/32/40/39/215324039.db2.gz QFXNNXZKYKCQCE-FGTMMUONSA-N 2 1 367.538 0.563 20 0 FCADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NC(=O)NC1CCCCC1 ZINC000333853432 215324263 /nfs/dbraw/zinc/32/42/63/215324263.db2.gz OBHJIAZXRSUVPL-CVEARBPZSA-N 2 1 364.490 0.845 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCCC1 ZINC000333849776 215324722 /nfs/dbraw/zinc/32/47/22/215324722.db2.gz WYYUTIQUUMGAAX-IAGOWNOFSA-N 2 1 365.522 0.714 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000333934967 215332457 /nfs/dbraw/zinc/33/24/57/215332457.db2.gz IZXGBOBIGFOEKD-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934967 215332459 /nfs/dbraw/zinc/33/24/59/215332459.db2.gz IZXGBOBIGFOEKD-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934967 215332460 /nfs/dbraw/zinc/33/24/60/215332460.db2.gz IZXGBOBIGFOEKD-HZPDHXFCSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000333929957 215332491 /nfs/dbraw/zinc/33/24/91/215332491.db2.gz YSKGLXRXGMPTHQ-OAHLLOKOSA-N 2 1 351.495 0.467 20 0 FCADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)[N@@H+]1CCO ZINC000334000378 215336085 /nfs/dbraw/zinc/33/60/85/215336085.db2.gz RELUAWDGGFHNBM-CYGHRXIMSA-N 2 1 368.522 0.461 20 0 FCADMP C[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)(N2CCOCC2)CC1 ZINC000334134120 215347083 /nfs/dbraw/zinc/34/70/83/215347083.db2.gz WYZVCEHSVIWMOJ-KRWDZBQOSA-N 2 1 365.522 0.273 20 0 FCADMP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000360002942 215351347 /nfs/dbraw/zinc/35/13/47/215351347.db2.gz YWFNBOOAWATURR-OAHLLOKOSA-N 2 1 354.447 0.381 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000285402827 213336970 /nfs/dbraw/zinc/33/69/70/213336970.db2.gz XIEFTXJJTAKDDB-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000285402827 213336972 /nfs/dbraw/zinc/33/69/72/213336972.db2.gz XIEFTXJJTAKDDB-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000285402827 213336976 /nfs/dbraw/zinc/33/69/76/213336976.db2.gz XIEFTXJJTAKDDB-QGZVFWFLSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@@H+](CCN1C(=O)CNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285343881 213327849 /nfs/dbraw/zinc/32/78/49/213327849.db2.gz DAFWQQBKQIIFRF-UHFFFAOYSA-N 2 1 359.474 0.288 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000285261646 213313360 /nfs/dbraw/zinc/31/33/60/213313360.db2.gz ZQUWNKOEYKKOAY-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261646 213313363 /nfs/dbraw/zinc/31/33/63/213313363.db2.gz ZQUWNKOEYKKOAY-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000285261646 213313366 /nfs/dbraw/zinc/31/33/66/213313366.db2.gz ZQUWNKOEYKKOAY-WBVHZDCISA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2ccccc2C1 ZINC000285188597 213298877 /nfs/dbraw/zinc/29/88/77/213298877.db2.gz VWAFJOBOEJZEQH-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2ccccc2C1 ZINC000285188597 213298881 /nfs/dbraw/zinc/29/88/81/213298881.db2.gz VWAFJOBOEJZEQH-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000285188597 213298884 /nfs/dbraw/zinc/29/88/84/213298884.db2.gz VWAFJOBOEJZEQH-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000285188597 213298886 /nfs/dbraw/zinc/29/88/86/213298886.db2.gz VWAFJOBOEJZEQH-OAHLLOKOSA-N 2 1 358.486 0.760 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284721614 213205893 /nfs/dbraw/zinc/20/58/93/213205893.db2.gz YIOFSFXMVRPHBN-UHFFFAOYSA-N 2 1 372.513 0.961 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284721614 213205894 /nfs/dbraw/zinc/20/58/94/213205894.db2.gz YIOFSFXMVRPHBN-UHFFFAOYSA-N 2 1 372.513 0.961 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284563852 213169631 /nfs/dbraw/zinc/16/96/31/213169631.db2.gz VSSRJIUJNAGDNV-HUUCEWRRSA-N 2 1 350.463 0.799 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000284563852 213169636 /nfs/dbraw/zinc/16/96/36/213169636.db2.gz VSSRJIUJNAGDNV-HUUCEWRRSA-N 2 1 350.463 0.799 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284516085 213158421 /nfs/dbraw/zinc/15/84/21/213158421.db2.gz SWTAVMGYDJWQOQ-LSDHHAIUSA-N 2 1 350.463 0.799 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284516085 213158423 /nfs/dbraw/zinc/15/84/23/213158423.db2.gz SWTAVMGYDJWQOQ-LSDHHAIUSA-N 2 1 350.463 0.799 20 0 FCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284516079 213157844 /nfs/dbraw/zinc/15/78/44/213157844.db2.gz SWTAVMGYDJWQOQ-GJZGRUSLSA-N 2 1 350.463 0.799 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284516079 213157847 /nfs/dbraw/zinc/15/78/47/213157847.db2.gz SWTAVMGYDJWQOQ-GJZGRUSLSA-N 2 1 350.463 0.799 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000284466027 213146960 /nfs/dbraw/zinc/14/69/60/213146960.db2.gz GJYJYFSALUJBEZ-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000284466027 213146964 /nfs/dbraw/zinc/14/69/64/213146964.db2.gz GJYJYFSALUJBEZ-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466027 213146970 /nfs/dbraw/zinc/14/69/70/213146970.db2.gz GJYJYFSALUJBEZ-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000284466027 213146975 /nfs/dbraw/zinc/14/69/75/213146975.db2.gz GJYJYFSALUJBEZ-MAUKXSAKSA-N 2 1 370.497 0.902 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccco1 ZINC000284333374 213113921 /nfs/dbraw/zinc/11/39/21/213113921.db2.gz JXIDPWQSJCWCHB-AWEZNQCLSA-N 2 1 350.463 0.989 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000283946138 213039653 /nfs/dbraw/zinc/03/96/53/213039653.db2.gz FHQKCXIYYOHSSA-INIZCTEOSA-N 2 1 362.474 0.989 20 0 FCADMP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1CC[NH+](C)CC1 ZINC000365247747 215798621 /nfs/dbraw/zinc/79/86/21/215798621.db2.gz CFNDCHJZQFMFJT-QGZVFWFLSA-N 2 1 352.523 0.774 20 0 FCADMP CN(C)C(=O)[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411936269 237115656 /nfs/dbraw/zinc/11/56/56/237115656.db2.gz FKNNCQFMPBGTPB-IRXDYDNUSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000366764496 216027489 /nfs/dbraw/zinc/02/74/89/216027489.db2.gz WAZXMCNXHDCORE-RBUKOAKNSA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000366764496 216027491 /nfs/dbraw/zinc/02/74/91/216027491.db2.gz WAZXMCNXHDCORE-RBUKOAKNSA-N 2 1 361.486 0.631 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000366764496 216027495 /nfs/dbraw/zinc/02/74/95/216027495.db2.gz WAZXMCNXHDCORE-RBUKOAKNSA-N 2 1 361.486 0.631 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000413095573 237276881 /nfs/dbraw/zinc/27/68/81/237276881.db2.gz CUCVKGOMOAXFNS-INIZCTEOSA-N 2 1 356.511 0.849 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000413351922 237322160 /nfs/dbraw/zinc/32/21/60/237322160.db2.gz MLLWYAXAEJKSSU-HZPDHXFCSA-N 2 1 356.511 0.848 20 0 FCADMP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)ccc2oc1=O ZINC000367051883 216069049 /nfs/dbraw/zinc/06/90/49/216069049.db2.gz FPBWGCNFEZANKO-INIZCTEOSA-N 2 1 373.457 0.485 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000262026964 209511606 /nfs/dbraw/zinc/51/16/06/209511606.db2.gz NQVNCIHKLJIKJJ-AWEZNQCLSA-N 2 1 367.519 0.799 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000262026964 209511613 /nfs/dbraw/zinc/51/16/13/209511613.db2.gz NQVNCIHKLJIKJJ-AWEZNQCLSA-N 2 1 367.519 0.799 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367648377 216146332 /nfs/dbraw/zinc/14/63/32/216146332.db2.gz HTPSDNZMSGMYJA-OAHLLOKOSA-N 2 1 359.536 0.782 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)C[C@H](C)O1 ZINC000246509469 209389447 /nfs/dbraw/zinc/38/94/47/209389447.db2.gz URORZYBZBCVXJE-YVSFHVDLSA-N 2 1 354.495 0.600 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@@H+]1C[C@H](C)O ZINC000246547775 209389245 /nfs/dbraw/zinc/38/92/45/209389245.db2.gz SVBHNVSTUSYUCA-ZFWWWQNUSA-N 2 1 364.494 0.428 20 0 FCADMP CC[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC[N@H+]1C[C@H](C)O ZINC000246547775 209389251 /nfs/dbraw/zinc/38/92/51/209389251.db2.gz SVBHNVSTUSYUCA-ZFWWWQNUSA-N 2 1 364.494 0.428 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3CC[NH2+]CC3)c2)C1 ZINC000237933331 209361084 /nfs/dbraw/zinc/36/10/84/209361084.db2.gz BMRRROCBFIJYCY-SFHVURJKSA-N 2 1 358.486 1.000 20 0 FCADMP Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nnn1C1CC[NH2+]CC1 ZINC000236794876 209344687 /nfs/dbraw/zinc/34/46/87/209344687.db2.gz QHNAOQFEEKQMFO-INIZCTEOSA-N 2 1 364.494 0.598 20 0 FCADMP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000194954893 209329250 /nfs/dbraw/zinc/32/92/50/209329250.db2.gz XMSFNOGENADONR-YVSFHVDLSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000194954893 209329252 /nfs/dbraw/zinc/32/92/52/209329252.db2.gz XMSFNOGENADONR-YVSFHVDLSA-N 2 1 356.511 0.846 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)CC1=O ZINC000368598134 216269549 /nfs/dbraw/zinc/26/95/49/216269549.db2.gz MQCUDTUSXGLMGN-XSDHEKCYSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1CC(C)(C)O ZINC000368704758 216285162 /nfs/dbraw/zinc/28/51/62/216285162.db2.gz UNBDIPBXQRHAFG-OAGGEKHMSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704758 216285166 /nfs/dbraw/zinc/28/51/66/216285166.db2.gz UNBDIPBXQRHAFG-OAGGEKHMSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704758 216285167 /nfs/dbraw/zinc/28/51/67/216285167.db2.gz UNBDIPBXQRHAFG-OAGGEKHMSA-N 2 1 354.495 0.336 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000369025479 216332381 /nfs/dbraw/zinc/33/23/81/216332381.db2.gz DUHVLJXTNAENJD-GVDBMIGSSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000369025479 216332385 /nfs/dbraw/zinc/33/23/85/216332385.db2.gz DUHVLJXTNAENJD-GVDBMIGSSA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000369025479 216332389 /nfs/dbraw/zinc/33/23/89/216332389.db2.gz DUHVLJXTNAENJD-GVDBMIGSSA-N 2 1 354.495 0.506 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369027359 216334527 /nfs/dbraw/zinc/33/45/27/216334527.db2.gz LQLAJICQPSUTOJ-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369027359 216334529 /nfs/dbraw/zinc/33/45/29/216334529.db2.gz LQLAJICQPSUTOJ-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369027359 216334532 /nfs/dbraw/zinc/33/45/32/216334532.db2.gz LQLAJICQPSUTOJ-ROUUACIJSA-N 2 1 367.538 0.567 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+](C)CCOC)CC1=O ZINC000369038727 216339089 /nfs/dbraw/zinc/33/90/89/216339089.db2.gz OMFSYZRCXHLMSK-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@H+](C)CCOC)CC1=O ZINC000369038727 216339094 /nfs/dbraw/zinc/33/90/94/216339094.db2.gz OMFSYZRCXHLMSK-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[N@@H+](C)CCOC)CC1=O ZINC000369038727 216339098 /nfs/dbraw/zinc/33/90/98/216339098.db2.gz OMFSYZRCXHLMSK-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369266805 216374667 /nfs/dbraw/zinc/37/46/67/216374667.db2.gz OHJWWHJNJRUPHC-CABCVRRESA-N 2 1 351.495 0.275 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369266805 216374668 /nfs/dbraw/zinc/37/46/68/216374668.db2.gz OHJWWHJNJRUPHC-CABCVRRESA-N 2 1 351.495 0.275 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000369401597 216396955 /nfs/dbraw/zinc/39/69/55/216396955.db2.gz NGZQTPQPELGDGC-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000369401597 216396958 /nfs/dbraw/zinc/39/69/58/216396958.db2.gz NGZQTPQPELGDGC-KRWDZBQOSA-N 2 1 353.511 0.130 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189340386 209249526 /nfs/dbraw/zinc/24/95/26/209249526.db2.gz MQOYCELAUWBYJC-QWFCFKBJSA-N 2 1 374.529 0.764 20 0 FCADMP C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189340386 209249530 /nfs/dbraw/zinc/24/95/30/209249530.db2.gz MQOYCELAUWBYJC-QWFCFKBJSA-N 2 1 374.529 0.764 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000188181030 209225436 /nfs/dbraw/zinc/22/54/36/209225436.db2.gz HZRNCABEHREWEY-AZUAARDMSA-N 2 1 361.486 0.803 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000188181030 209225441 /nfs/dbraw/zinc/22/54/41/209225441.db2.gz HZRNCABEHREWEY-AZUAARDMSA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000188181030 209225444 /nfs/dbraw/zinc/22/54/44/209225444.db2.gz HZRNCABEHREWEY-AZUAARDMSA-N 2 1 361.486 0.803 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000188181030 209225447 /nfs/dbraw/zinc/22/54/47/209225447.db2.gz HZRNCABEHREWEY-AZUAARDMSA-N 2 1 361.486 0.803 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000186623876 209193927 /nfs/dbraw/zinc/19/39/27/209193927.db2.gz BZPXZVBMKVPFPL-HZPDHXFCSA-N 2 1 355.527 0.109 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000414660828 245308730 /nfs/dbraw/zinc/30/87/30/245308730.db2.gz NPHHNGCYTVVNIT-QGZVFWFLSA-N 2 1 362.474 0.818 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000414684434 245311744 /nfs/dbraw/zinc/31/17/44/245311744.db2.gz VRNSWCYEJLZTEA-GASCZTMLSA-N 2 1 362.474 0.960 20 0 FCADMP COc1ccc(OC)c(C[N@@H+](CCO)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414689867 245311976 /nfs/dbraw/zinc/31/19/76/245311976.db2.gz GUBJSUROKXUISX-HNNXBMFYSA-N 2 1 365.474 0.695 20 0 FCADMP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414743884 245318689 /nfs/dbraw/zinc/31/86/89/245318689.db2.gz VKSQYOJGYFBXIQ-DOMZBBRYSA-N 2 1 356.492 0.986 20 0 FCADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487492 674117565 /nfs/dbraw/zinc/11/75/65/674117565.db2.gz CDBZWVIRKZDFKJ-LSDHHAIUSA-N 2 1 354.495 0.779 20 0 FCADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414971156 245339574 /nfs/dbraw/zinc/33/95/74/245339574.db2.gz HOXHHFLHDVVYPT-ZIAGYGMSSA-N 2 1 350.463 0.914 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[N@H+]1C1CC1 ZINC000414946382 245338004 /nfs/dbraw/zinc/33/80/04/245338004.db2.gz TXEYGIQUYKHGDN-WFASDCNBSA-N 2 1 358.442 0.849 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000415328307 245386753 /nfs/dbraw/zinc/38/67/53/245386753.db2.gz LTCBMLZTAQRMEY-FMKPAKJESA-N 2 1 360.458 0.712 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442699 217019856 /nfs/dbraw/zinc/01/98/56/217019856.db2.gz VZLWIJIIRXTAKF-OGWOLHLISA-N 2 1 352.523 0.804 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(C)C ZINC000373442699 217019860 /nfs/dbraw/zinc/01/98/60/217019860.db2.gz VZLWIJIIRXTAKF-OGWOLHLISA-N 2 1 352.523 0.804 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1COCCN1C1CCCC1 ZINC000373526405 217028251 /nfs/dbraw/zinc/02/82/51/217028251.db2.gz CRHXRPSEWZIPEU-QZTJIDSGSA-N 2 1 353.507 0.983 20 0 FCADMP COC(=O)[C@]1(C)C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000374368633 217123206 /nfs/dbraw/zinc/12/32/06/217123206.db2.gz ZPMOICKWWVBVEN-JTDSTZFVSA-N 2 1 369.506 0.590 20 0 FCADMP COC(=O)[C@]1(C)C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000374368633 217123209 /nfs/dbraw/zinc/12/32/09/217123209.db2.gz ZPMOICKWWVBVEN-JTDSTZFVSA-N 2 1 369.506 0.590 20 0 FCADMP COC(=O)[C@]1(C)C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000374368633 217123212 /nfs/dbraw/zinc/12/32/12/217123212.db2.gz ZPMOICKWWVBVEN-JTDSTZFVSA-N 2 1 369.506 0.590 20 0 FCADMP CC[N@@H+](CCO)CCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000183968419 209154735 /nfs/dbraw/zinc/15/47/35/209154735.db2.gz MHCNDOZLEAVZTQ-UHFFFAOYSA-N 2 1 362.518 0.938 20 0 FCADMP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000374803172 217176516 /nfs/dbraw/zinc/17/65/16/217176516.db2.gz TUFLYUCPAVXOQI-SFHVURJKSA-N 2 1 364.486 0.894 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000415678966 245461218 /nfs/dbraw/zinc/46/12/18/245461218.db2.gz XRMJRWCCZLPZQO-BHYGNILZSA-N 2 1 372.469 0.696 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)CC1 ZINC000418412634 245784461 /nfs/dbraw/zinc/78/44/61/245784461.db2.gz RGJOIEZLAIIZFD-KRWDZBQOSA-N 2 1 367.538 0.946 20 0 FCADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419135398 246008657 /nfs/dbraw/zinc/00/86/57/246008657.db2.gz MMRNKOPKPFOQLB-ROUUACIJSA-N 2 1 374.485 0.262 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000419139977 246012093 /nfs/dbraw/zinc/01/20/93/246012093.db2.gz VGHHEGQWXHGRNE-PXNSSMCTSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419144907 246012861 /nfs/dbraw/zinc/01/28/61/246012861.db2.gz GZUPEWFPOSLERJ-CABCVRRESA-N 2 1 364.515 0.897 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419145344 246015594 /nfs/dbraw/zinc/01/55/94/246015594.db2.gz AEYCLYCQLYBWFJ-GOSISDBHSA-N 2 1 360.502 0.735 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165932 246027774 /nfs/dbraw/zinc/02/77/74/246027774.db2.gz GXEBZZSMOFNLON-RBUKOAKNSA-N 2 1 372.513 0.878 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419165934 246028519 /nfs/dbraw/zinc/02/85/19/246028519.db2.gz GXEBZZSMOFNLON-RTBURBONSA-N 2 1 372.513 0.878 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419172825 246032022 /nfs/dbraw/zinc/03/20/22/246032022.db2.gz RRHFYEASIQEHEE-RTBURBONSA-N 2 1 372.513 0.783 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000419175757 246035946 /nfs/dbraw/zinc/03/59/46/246035946.db2.gz YAHPGBWIYYKRMC-KRWDZBQOSA-N 2 1 358.486 0.665 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1(C)C ZINC000419184379 246041055 /nfs/dbraw/zinc/04/10/55/246041055.db2.gz NPMYXUJAOLZMNG-MRXNPFEDSA-N 2 1 367.538 0.152 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)CCC(F)(F)F ZINC000419208045 246055170 /nfs/dbraw/zinc/05/51/70/246055170.db2.gz NSXFTBZRGSVDSY-VXGBXAGGSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)CCC(F)(F)F ZINC000419208045 246055175 /nfs/dbraw/zinc/05/51/75/246055175.db2.gz NSXFTBZRGSVDSY-VXGBXAGGSA-N 2 1 352.401 0.586 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419212613 246057564 /nfs/dbraw/zinc/05/75/64/246057564.db2.gz UWIVRXWFCQJPNQ-FXAWDEMLSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419224469 246063688 /nfs/dbraw/zinc/06/36/88/246063688.db2.gz FMXANBRUTBCMER-WMLDXEAASA-N 2 1 350.507 0.953 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224211 246063786 /nfs/dbraw/zinc/06/37/86/246063786.db2.gz FKEBZOAVZHZOIB-ZFWWWQNUSA-N 2 1 368.428 0.723 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419224211 246063791 /nfs/dbraw/zinc/06/37/91/246063791.db2.gz FKEBZOAVZHZOIB-ZFWWWQNUSA-N 2 1 368.428 0.723 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000419227840 246066368 /nfs/dbraw/zinc/06/63/68/246066368.db2.gz LJNWLKGWHZBZKU-GVDBMIGSSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419208015 246054358 /nfs/dbraw/zinc/05/43/58/246054358.db2.gz NQIDMTZBPZGVAI-RYRKJORJSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000419230506 246068124 /nfs/dbraw/zinc/06/81/24/246068124.db2.gz IUYVPIULBGANPX-SMDDNHRTSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[N@H+]1CCc2sccc2C1 ZINC000419230506 246068127 /nfs/dbraw/zinc/06/81/27/246068127.db2.gz IUYVPIULBGANPX-SMDDNHRTSA-N 2 1 350.488 0.464 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000419234055 246070291 /nfs/dbraw/zinc/07/02/91/246070291.db2.gz LSDOEGFHIFDDKA-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000419234055 246070296 /nfs/dbraw/zinc/07/02/96/246070296.db2.gz LSDOEGFHIFDDKA-QAPCUYQASA-N 2 1 358.486 0.760 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419250624 246076568 /nfs/dbraw/zinc/07/65/68/246076568.db2.gz ZISZAFMRWMENJU-OCCSQVGLSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419250624 246076573 /nfs/dbraw/zinc/07/65/73/246076573.db2.gz ZISZAFMRWMENJU-OCCSQVGLSA-N 2 1 352.504 0.710 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419249745 246077245 /nfs/dbraw/zinc/07/72/45/246077245.db2.gz PLVGCAMRQQHQEA-CBZIJGRNSA-N 2 1 360.502 0.970 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419250623 246077439 /nfs/dbraw/zinc/07/74/39/246077439.db2.gz ZISZAFMRWMENJU-JSGCOSHPSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000419250623 246077445 /nfs/dbraw/zinc/07/74/45/246077445.db2.gz ZISZAFMRWMENJU-JSGCOSHPSA-N 2 1 352.504 0.710 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419250027 246077696 /nfs/dbraw/zinc/07/76/96/246077696.db2.gz YUPVPDBLGXGRDC-MJBXVCDLSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419250027 246077700 /nfs/dbraw/zinc/07/77/00/246077700.db2.gz YUPVPDBLGXGRDC-MJBXVCDLSA-N 2 1 364.515 0.807 20 0 FCADMP Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000419304940 246092773 /nfs/dbraw/zinc/09/27/73/246092773.db2.gz VIWOTHDVWPSEIY-JKSUJKDBSA-N 2 1 373.501 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419329508 246099761 /nfs/dbraw/zinc/09/97/61/246099761.db2.gz GPNPAAFLOHSXLU-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCOCC1 ZINC000419294632 246088850 /nfs/dbraw/zinc/08/88/50/246088850.db2.gz BUYWQWHHIYMGSJ-GDBMZVCRSA-N 2 1 354.495 0.095 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419389397 246130558 /nfs/dbraw/zinc/13/05/58/246130558.db2.gz HHLNMQOCDXCHLL-NVXWUHKLSA-N 2 1 358.486 0.747 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419389397 246130564 /nfs/dbraw/zinc/13/05/64/246130564.db2.gz HHLNMQOCDXCHLL-NVXWUHKLSA-N 2 1 358.486 0.747 20 0 FCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419390287 246130581 /nfs/dbraw/zinc/13/05/81/246130581.db2.gz ILNNSXROOMSINQ-QXAKKESOSA-N 2 1 370.497 0.665 20 0 FCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419390287 246130584 /nfs/dbraw/zinc/13/05/84/246130584.db2.gz ILNNSXROOMSINQ-QXAKKESOSA-N 2 1 370.497 0.665 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419386667 246128319 /nfs/dbraw/zinc/12/83/19/246128319.db2.gz BVYLCXDCNGCXNM-HOTGVXAUSA-N 2 1 362.499 0.280 20 0 FCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419386667 246128323 /nfs/dbraw/zinc/12/83/23/246128323.db2.gz BVYLCXDCNGCXNM-HOTGVXAUSA-N 2 1 362.499 0.280 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419412790 246147666 /nfs/dbraw/zinc/14/76/66/246147666.db2.gz RJBSAIXIPBWSSN-ZWKOTPCHSA-N 2 1 358.486 0.889 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419389948 246131072 /nfs/dbraw/zinc/13/10/72/246131072.db2.gz FTJYQYPGHWEDAD-HZPDHXFCSA-N 2 1 362.499 0.198 20 0 FCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419389948 246131079 /nfs/dbraw/zinc/13/10/79/246131079.db2.gz FTJYQYPGHWEDAD-HZPDHXFCSA-N 2 1 362.499 0.198 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419395374 246132997 /nfs/dbraw/zinc/13/29/97/246132997.db2.gz QOAPYLFLCLWYPT-QAPCUYQASA-N 2 1 358.486 0.604 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419395374 246133001 /nfs/dbraw/zinc/13/30/01/246133001.db2.gz QOAPYLFLCLWYPT-QAPCUYQASA-N 2 1 358.486 0.604 20 0 FCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419399322 246134372 /nfs/dbraw/zinc/13/43/72/246134372.db2.gz YSGSZWQNQRRRMZ-AEFFLSMTSA-N 2 1 358.486 0.795 20 0 FCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419399322 246134376 /nfs/dbraw/zinc/13/43/76/246134376.db2.gz YSGSZWQNQRRRMZ-AEFFLSMTSA-N 2 1 358.486 0.795 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403872 246136489 /nfs/dbraw/zinc/13/64/89/246136489.db2.gz SAOVTMXHIKTXKA-CGTJXYLNSA-N 2 1 374.485 0.118 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402360 246136843 /nfs/dbraw/zinc/13/68/43/246136843.db2.gz CHTYJBZIGGTYLC-HOCLYGCPSA-N 2 1 368.522 0.986 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419405102 246139839 /nfs/dbraw/zinc/13/98/39/246139839.db2.gz GYZXWLILAWDSRC-HNNXBMFYSA-N 2 1 368.428 0.650 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419405102 246139844 /nfs/dbraw/zinc/13/98/44/246139844.db2.gz GYZXWLILAWDSRC-HNNXBMFYSA-N 2 1 368.428 0.650 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000419407899 246142817 /nfs/dbraw/zinc/14/28/17/246142817.db2.gz KXVZQAIYOIBZFS-RHSMWYFYSA-N 2 1 350.488 0.679 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419410211 246143990 /nfs/dbraw/zinc/14/39/90/246143990.db2.gz OHCPIKIVOBZKSL-ROUUACIJSA-N 2 1 358.486 0.889 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccsc1 ZINC000419411966 246145628 /nfs/dbraw/zinc/14/56/28/246145628.db2.gz QEXTZPYAAYWHFR-VHDGCEQUSA-N 2 1 350.488 0.535 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419412018 246145759 /nfs/dbraw/zinc/14/57/59/246145759.db2.gz CGNGUAIHAVFGFW-NVXWUHKLSA-N 2 1 358.486 0.747 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419417010 246150776 /nfs/dbraw/zinc/15/07/76/246150776.db2.gz HOZKSMXENBIDCB-YYIAUSFCSA-N 2 1 368.522 0.435 20 0 FCADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419421083 246154071 /nfs/dbraw/zinc/15/40/71/246154071.db2.gz KVNBEVLDVJPCKD-SFHVURJKSA-N 2 1 372.513 0.911 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419424425 246157316 /nfs/dbraw/zinc/15/73/16/246157316.db2.gz OAAQIZBNLYOBBX-INIZCTEOSA-N 2 1 358.486 0.667 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000419428548 246158178 /nfs/dbraw/zinc/15/81/78/246158178.db2.gz TVUUECXGGDALNA-QGZVFWFLSA-N 2 1 360.502 0.993 20 0 FCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419430907 246160231 /nfs/dbraw/zinc/16/02/31/246160231.db2.gz WPTXBTCGRFHQFG-NRFANRHFSA-N 2 1 370.497 0.763 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419447543 246166965 /nfs/dbraw/zinc/16/69/65/246166965.db2.gz HNFXXJHBLRYSHU-CRAIPNDOSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000419450665 246169149 /nfs/dbraw/zinc/16/91/49/246169149.db2.gz LXWXLWSGFZNVCS-CQSZACIVSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000419450665 246169152 /nfs/dbraw/zinc/16/91/52/246169152.db2.gz LXWXLWSGFZNVCS-CQSZACIVSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487363 246181560 /nfs/dbraw/zinc/18/15/60/246181560.db2.gz BCDAOXTWWCSUJU-INIZCTEOSA-N 2 1 373.501 0.311 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)o1 ZINC000419499501 246182820 /nfs/dbraw/zinc/18/28/20/246182820.db2.gz BTSXXTWHWAKFHI-OWCLPIDISA-N 2 1 360.458 0.661 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505629 246183032 /nfs/dbraw/zinc/18/30/32/246183032.db2.gz LZPBGUMJQVGLOU-IAGOWNOFSA-N 2 1 373.501 0.263 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507628 246185401 /nfs/dbraw/zinc/18/54/01/246185401.db2.gz PLPNVUSCGLQONH-HZPDHXFCSA-N 2 1 361.490 0.024 20 0 FCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419523158 246189639 /nfs/dbraw/zinc/18/96/39/246189639.db2.gz AGCDWUXAFCZXQU-IRXDYDNUSA-N 2 1 362.474 0.372 20 0 FCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419523157 246190330 /nfs/dbraw/zinc/19/03/30/246190330.db2.gz AGCDWUXAFCZXQU-IAGOWNOFSA-N 2 1 362.474 0.372 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419530617 246193541 /nfs/dbraw/zinc/19/35/41/246193541.db2.gz JNLMANSLXHKWPA-QAPCUYQASA-N 2 1 356.470 0.659 20 0 FCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419470504 246173594 /nfs/dbraw/zinc/17/35/94/246173594.db2.gz FLRXDFROEZVNAS-NJAFHUGGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419539282 246197833 /nfs/dbraw/zinc/19/78/33/246197833.db2.gz YJBJFKFMNVCITI-MXSMSXNCSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCC[N@H+]1C ZINC000419539311 246197996 /nfs/dbraw/zinc/19/79/96/246197996.db2.gz AXWACODMZPKKON-DZUCGIPZSA-N 2 1 366.506 0.330 20 0 FCADMP C[C@H]1[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@H+]1C ZINC000419560565 246202253 /nfs/dbraw/zinc/20/22/53/246202253.db2.gz RGJDGLYDUZNOIH-CTJSOFNSSA-N 2 1 362.518 0.855 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419690887 246251928 /nfs/dbraw/zinc/25/19/28/246251928.db2.gz CZGZJNQHWCKIHS-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000419691730 246253046 /nfs/dbraw/zinc/25/30/46/246253046.db2.gz ABKSHFFRWKPVJP-YESZJQIVSA-N 2 1 366.506 0.204 20 0 FCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000419695282 246255192 /nfs/dbraw/zinc/25/51/92/246255192.db2.gz KSWZHHWWEIMNET-IXDOHACOSA-N 2 1 368.522 0.578 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419699263 246256580 /nfs/dbraw/zinc/25/65/80/246256580.db2.gz VZBOOSAOTZORCE-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419704071 246258418 /nfs/dbraw/zinc/25/84/18/246258418.db2.gz FTTUYOJKVUHAKO-RDJZCZTQSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000419703293 246259220 /nfs/dbraw/zinc/25/92/20/246259220.db2.gz DEBFMKGQMQUZAX-HPBDAGMYSA-N 2 1 356.470 0.586 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000419710884 246264266 /nfs/dbraw/zinc/26/42/66/246264266.db2.gz RFEFTKAGPJOMPJ-RYQLBKOJSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000419758261 246286290 /nfs/dbraw/zinc/28/62/90/246286290.db2.gz JTDAMSFEGNFSMM-XJKSGUPXSA-N 2 1 350.438 0.569 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419758238 246286315 /nfs/dbraw/zinc/28/63/15/246286315.db2.gz JQGJVKKZLYKODJ-ZFWWWQNUSA-N 2 1 350.438 0.569 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419757151 246286371 /nfs/dbraw/zinc/28/63/71/246286371.db2.gz IAEBTNIOJDJXJT-GOSISDBHSA-N 2 1 350.438 0.571 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419755541 246286710 /nfs/dbraw/zinc/28/67/10/246286710.db2.gz DJQSWCZHNHHEAQ-HOTGVXAUSA-N 2 1 362.449 0.442 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419755866 246287436 /nfs/dbraw/zinc/28/74/36/246287436.db2.gz FNARFYRWODLRHW-GOEBONIOSA-N 2 1 364.465 0.878 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000419760351 246288486 /nfs/dbraw/zinc/28/84/86/246288486.db2.gz NQMSECSYGRDKJF-INIZCTEOSA-N 2 1 364.465 0.832 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000419766238 246292305 /nfs/dbraw/zinc/29/23/05/246292305.db2.gz RLHKJNDEYHSYKG-MAUKXSAKSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419802423 246301776 /nfs/dbraw/zinc/30/17/76/246301776.db2.gz BDFBFPABYXWQIZ-RVKKMQEKSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419802423 246301781 /nfs/dbraw/zinc/30/17/81/246301781.db2.gz BDFBFPABYXWQIZ-RVKKMQEKSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CCO1 ZINC000419810524 246303911 /nfs/dbraw/zinc/30/39/11/246303911.db2.gz XELIQOYZOZUEHT-HNNXBMFYSA-N 2 1 366.506 0.476 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)c1 ZINC000419811386 246304091 /nfs/dbraw/zinc/30/40/91/246304091.db2.gz YDLIPKXPDJSECW-UHFFFAOYSA-N 2 1 359.474 0.816 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419826988 246308763 /nfs/dbraw/zinc/30/87/63/246308763.db2.gz RJCKRYZVOPNFOC-KFWWJZLASA-N 2 1 362.474 0.375 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419826988 246308766 /nfs/dbraw/zinc/30/87/66/246308766.db2.gz RJCKRYZVOPNFOC-KFWWJZLASA-N 2 1 362.474 0.375 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000419843770 246316988 /nfs/dbraw/zinc/31/69/88/246316988.db2.gz BGCXWGUEILDNRM-IRXDYDNUSA-N 2 1 359.474 0.230 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419844375 246318445 /nfs/dbraw/zinc/31/84/45/246318445.db2.gz OAGRAZGFCWOCLI-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419846676 246318496 /nfs/dbraw/zinc/31/84/96/246318496.db2.gz QGVAXTPHQAQNMV-IYBDPMFKSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000419873229 246341432 /nfs/dbraw/zinc/34/14/32/246341432.db2.gz YUTBZOIMLQJNBW-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000419873229 246341435 /nfs/dbraw/zinc/34/14/35/246341435.db2.gz YUTBZOIMLQJNBW-CVEARBPZSA-N 2 1 354.495 0.062 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860231 246328450 /nfs/dbraw/zinc/32/84/50/246328450.db2.gz KRCWEYSHQZYXNF-QZTJIDSGSA-N 2 1 373.501 0.748 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419921622 246370677 /nfs/dbraw/zinc/37/06/77/246370677.db2.gz YGWQLKVTXYPDAY-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000419921622 246370684 /nfs/dbraw/zinc/37/06/84/246370684.db2.gz YGWQLKVTXYPDAY-TWMKSMIVSA-N 2 1 366.506 0.202 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000419927371 246373490 /nfs/dbraw/zinc/37/34/90/246373490.db2.gz QUXASKOIXLMBOF-OAQYLSRUSA-N 2 1 370.497 0.837 20 0 FCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000419887482 246352209 /nfs/dbraw/zinc/35/22/09/246352209.db2.gz FALJADSATDIWCT-FCGDIQPGSA-N 2 1 370.497 0.963 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000419892355 246354435 /nfs/dbraw/zinc/35/44/35/246354435.db2.gz JJQKTUBBQQRKJE-BZUAXINKSA-N 2 1 354.495 0.332 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000419892355 246354437 /nfs/dbraw/zinc/35/44/37/246354437.db2.gz JJQKTUBBQQRKJE-BZUAXINKSA-N 2 1 354.495 0.332 20 0 FCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419909574 246363903 /nfs/dbraw/zinc/36/39/03/246363903.db2.gz GHGQKIHNCFYHHF-GOSISDBHSA-N 2 1 358.486 0.489 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000419979797 246398308 /nfs/dbraw/zinc/39/83/08/246398308.db2.gz QKFVAOYWUJNSPF-ZBFHGGJFSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000419979797 246398314 /nfs/dbraw/zinc/39/83/14/246398314.db2.gz QKFVAOYWUJNSPF-ZBFHGGJFSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423369499 247013005 /nfs/dbraw/zinc/01/30/05/247013005.db2.gz DXYPBFNPMXXYFZ-SJLPKXTDSA-N 2 1 373.501 0.073 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)C1 ZINC000423367913 247013231 /nfs/dbraw/zinc/01/32/31/247013231.db2.gz AUGOAFROKDTVHJ-QKLQHJQFSA-N 2 1 356.470 0.752 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423366567 247013858 /nfs/dbraw/zinc/01/38/58/247013858.db2.gz XXECZSJUNXUVHD-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423366567 247013860 /nfs/dbraw/zinc/01/38/60/247013860.db2.gz XXECZSJUNXUVHD-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@@H+]1C ZINC000423393089 247018763 /nfs/dbraw/zinc/01/87/63/247018763.db2.gz YGMHVQHLOSZVEH-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@H+]1C ZINC000423393089 247018771 /nfs/dbraw/zinc/01/87/71/247018771.db2.gz YGMHVQHLOSZVEH-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000423390934 247019014 /nfs/dbraw/zinc/01/90/14/247019014.db2.gz OVWWFEVBGMNRMN-DOTOQJQBSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000423390761 247019094 /nfs/dbraw/zinc/01/90/94/247019094.db2.gz KKAWZOGSRSMVFY-MRXNPFEDSA-N 2 1 354.495 0.141 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)CC1 ZINC000423394081 247019742 /nfs/dbraw/zinc/01/97/42/247019742.db2.gz ZLEXNUBJERWVPH-GOSISDBHSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423308506 247000238 /nfs/dbraw/zinc/00/02/38/247000238.db2.gz ONLKSVDXRJWIRL-FUHWJXTLSA-N 2 1 358.486 0.787 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423557780 247051136 /nfs/dbraw/zinc/05/11/36/247051136.db2.gz COIJRHCSGZXWRJ-XLIONFOSSA-N 2 1 374.485 0.032 20 0 FCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423466431 247033117 /nfs/dbraw/zinc/03/31/17/247033117.db2.gz CZUSXLDVYNPGSW-QRVBRYPASA-N 2 1 370.497 0.645 20 0 FCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423468020 247033157 /nfs/dbraw/zinc/03/31/57/247033157.db2.gz FBGKINSPAXYASL-UEXGIBASSA-N 2 1 370.497 0.774 20 0 FCADMP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000423673320 247105598 /nfs/dbraw/zinc/10/55/98/247105598.db2.gz OLXFAQKAGGLQMO-SFHVURJKSA-N 2 1 371.485 0.641 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000423680508 247106227 /nfs/dbraw/zinc/10/62/27/247106227.db2.gz MPAWFGCBILEVFA-BFYDXBDKSA-N 2 1 366.506 0.426 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000423620320 247078754 /nfs/dbraw/zinc/07/87/54/247078754.db2.gz WNJLFGWXNRQRMG-FGTMMUONSA-N 2 1 356.470 0.527 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)[C@@H](C)C[NH2+]1 ZINC000423647258 247089944 /nfs/dbraw/zinc/08/99/44/247089944.db2.gz HSILIHFRTYQFJN-FZCLSBEQSA-N 2 1 373.501 0.742 20 0 FCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423649512 247091923 /nfs/dbraw/zinc/09/19/23/247091923.db2.gz PMDIMDUQDYNQGS-PXNSSMCTSA-N 2 1 374.485 0.032 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423656452 247097092 /nfs/dbraw/zinc/09/70/92/247097092.db2.gz UHGLZOUDZBKFRU-NXHRZFHOSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000423656452 247097097 /nfs/dbraw/zinc/09/70/97/247097097.db2.gz UHGLZOUDZBKFRU-NXHRZFHOSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[C@H](C)C[NH2+]1 ZINC000423659553 247099462 /nfs/dbraw/zinc/09/94/62/247099462.db2.gz ZNNCPQHROLFSLW-HUUCEWRRSA-N 2 1 350.463 0.769 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C[C@H]1[NH3+] ZINC000423743366 247137846 /nfs/dbraw/zinc/13/78/46/247137846.db2.gz LRBKBUWZPKKDTQ-XGXHKWSGSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771367 247142892 /nfs/dbraw/zinc/14/28/92/247142892.db2.gz FVZUSZWEJWFNQX-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423921770 247150104 /nfs/dbraw/zinc/15/01/04/247150104.db2.gz IQKPXSUSSBLZSI-MQYQWHSLSA-N 2 1 352.458 0.901 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C2([NH3+])CCC2)cc[nH+]1 ZINC000423920916 247151262 /nfs/dbraw/zinc/15/12/62/247151262.db2.gz HBGVORKEAJYGCY-STQMWFEESA-N 2 1 350.442 0.799 20 0 FCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)[C@@H]1c1ccccc1 ZINC000423933417 247151889 /nfs/dbraw/zinc/15/18/89/247151889.db2.gz RYJBOYQZBYUKOE-ROUUACIJSA-N 2 1 372.473 0.819 20 0 FCADMP CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)[C@@H]1c1ccccc1 ZINC000423933417 247151893 /nfs/dbraw/zinc/15/18/93/247151893.db2.gz RYJBOYQZBYUKOE-ROUUACIJSA-N 2 1 372.473 0.819 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000423926462 247152171 /nfs/dbraw/zinc/15/21/71/247152171.db2.gz PIUWVGXFEXRWRW-DCGLDWPTSA-N 2 1 350.442 0.575 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)c1 ZINC000423726057 247127660 /nfs/dbraw/zinc/12/76/60/247127660.db2.gz IAFKNQIZXPKIPL-HZPDHXFCSA-N 2 1 359.474 0.624 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423730642 247130588 /nfs/dbraw/zinc/13/05/88/247130588.db2.gz NKEZYHOMOBDMRN-WBVHZDCISA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423730620 247130721 /nfs/dbraw/zinc/13/07/21/247130721.db2.gz NKEZYHOMOBDMRN-DOTOQJQBSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000424494378 247239022 /nfs/dbraw/zinc/23/90/22/247239022.db2.gz NDXZXYYGKJMABH-PKOBYXMFSA-N 2 1 370.497 0.930 20 0 FCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536863 247255146 /nfs/dbraw/zinc/25/51/46/247255146.db2.gz BRMXRDVJXFICFJ-CADBVGFASA-N 2 1 370.497 0.963 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000424451723 247221029 /nfs/dbraw/zinc/22/10/29/247221029.db2.gz FJLOZKPLNMRSMX-HDEZJCGLSA-N 2 1 364.494 0.356 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000424459712 247226794 /nfs/dbraw/zinc/22/67/94/247226794.db2.gz XCIAAICGOYIRFD-UHFFFAOYSA-N 2 1 360.458 0.715 20 0 FCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1)CC[NH2+]CC2 ZINC000424557970 247263417 /nfs/dbraw/zinc/26/34/17/247263417.db2.gz WLMJFRIADJAKID-HNNXBMFYSA-N 2 1 350.507 0.968 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000425384533 247329228 /nfs/dbraw/zinc/32/92/28/247329228.db2.gz JQWRCSMHWONUSO-UHFFFAOYSA-N 2 1 370.538 0.602 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000436484018 248041769 /nfs/dbraw/zinc/04/17/69/248041769.db2.gz BQRAITRORQXGJR-OAHLLOKOSA-N 2 1 351.499 0.592 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000436060712 248030447 /nfs/dbraw/zinc/03/04/47/248030447.db2.gz FVPPWXBDKPTTAU-KRWDZBQOSA-N 3 1 365.522 0.049 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000436060712 248030451 /nfs/dbraw/zinc/03/04/51/248030451.db2.gz FVPPWXBDKPTTAU-KRWDZBQOSA-N 3 1 365.522 0.049 20 0 FCADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000438878568 248099386 /nfs/dbraw/zinc/09/93/86/248099386.db2.gz CGHZPRQBGUCBMJ-INIZCTEOSA-N 2 1 355.504 0.905 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438882611 248099831 /nfs/dbraw/zinc/09/98/31/248099831.db2.gz FMBPYKUZGDITES-DOTOQJQBSA-N 2 1 357.458 0.494 20 0 FCADMP CCn1nccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000439217338 248115836 /nfs/dbraw/zinc/11/58/36/248115836.db2.gz RJTHFWVMSKQTML-HNNXBMFYSA-N 2 1 364.494 0.716 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000440976820 248228428 /nfs/dbraw/zinc/22/84/28/248228428.db2.gz CWMXBYZCVPEQEM-CALCHBBNSA-N 2 1 369.554 0.811 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000440976820 248228432 /nfs/dbraw/zinc/22/84/32/248228432.db2.gz CWMXBYZCVPEQEM-CALCHBBNSA-N 2 1 369.554 0.811 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000440976820 248228435 /nfs/dbraw/zinc/22/84/35/248228435.db2.gz CWMXBYZCVPEQEM-CALCHBBNSA-N 2 1 369.554 0.811 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773679 248296642 /nfs/dbraw/zinc/29/66/42/248296642.db2.gz XUEOZAUXMXJTOZ-ZOBORPQBSA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000442773679 248296644 /nfs/dbraw/zinc/29/66/44/248296644.db2.gz XUEOZAUXMXJTOZ-ZOBORPQBSA-N 2 1 368.503 0.569 20 0 FCADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000453578184 249346439 /nfs/dbraw/zinc/34/64/39/249346439.db2.gz BQSLWWUOHGYVAX-HKUYNNGSSA-N 2 1 358.486 0.918 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458369432 249653699 /nfs/dbraw/zinc/65/36/99/249653699.db2.gz OPHNEWNVFIHDBN-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857682 250008758 /nfs/dbraw/zinc/00/87/58/250008758.db2.gz WJNAEDZCINVZAH-HOCLYGCPSA-N 2 1 361.490 0.797 20 0 FCADMP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)[nH]1 ZINC000469857682 250008760 /nfs/dbraw/zinc/00/87/60/250008760.db2.gz WJNAEDZCINVZAH-HOCLYGCPSA-N 2 1 361.490 0.797 20 0 FCADMP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc12 ZINC000469988127 250016831 /nfs/dbraw/zinc/01/68/31/250016831.db2.gz AWZMTVLQNYVFRP-INIZCTEOSA-N 2 1 356.474 0.921 20 0 FCADMP Cc1nc(COc2ccc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)cc2)no1 ZINC000470022407 250020076 /nfs/dbraw/zinc/02/00/76/250020076.db2.gz LJLDGWQGPVZSBI-UHFFFAOYSA-N 2 1 359.430 0.821 20 0 FCADMP Cc1nc(COc2ccc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)cc2)no1 ZINC000470022407 250020081 /nfs/dbraw/zinc/02/00/81/250020081.db2.gz LJLDGWQGPVZSBI-UHFFFAOYSA-N 2 1 359.430 0.821 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000472284605 250142690 /nfs/dbraw/zinc/14/26/90/250142690.db2.gz MCOKFRCBNLIDLG-RDJZCZTQSA-N 2 1 368.522 0.532 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000480879838 250289723 /nfs/dbraw/zinc/28/97/23/250289723.db2.gz LNMVDTHONWNDRH-IYBDPMFKSA-N 2 1 370.538 0.554 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480879838 250289727 /nfs/dbraw/zinc/28/97/27/250289727.db2.gz LNMVDTHONWNDRH-IYBDPMFKSA-N 2 1 370.538 0.554 20 0 FCADMP COCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480879838 250289731 /nfs/dbraw/zinc/28/97/31/250289731.db2.gz LNMVDTHONWNDRH-IYBDPMFKSA-N 2 1 370.538 0.554 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000480942869 250298146 /nfs/dbraw/zinc/29/81/46/250298146.db2.gz WIUGTCWHVAQTNY-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000480942869 250298150 /nfs/dbraw/zinc/29/81/50/250298150.db2.gz WIUGTCWHVAQTNY-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000480942869 250298153 /nfs/dbraw/zinc/29/81/53/250298153.db2.gz WIUGTCWHVAQTNY-HZPDHXFCSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000481132412 250317705 /nfs/dbraw/zinc/31/77/05/250317705.db2.gz FBKCUPFKJVQYGW-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000481132412 250317709 /nfs/dbraw/zinc/31/77/09/250317709.db2.gz FBKCUPFKJVQYGW-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000481132412 250317715 /nfs/dbraw/zinc/31/77/15/250317715.db2.gz FBKCUPFKJVQYGW-FXUDXRNXSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)CN1CC[NH+](C)CC1 ZINC000481697202 250349665 /nfs/dbraw/zinc/34/96/65/250349665.db2.gz PHWOLYJXRARBCK-RDJZCZTQSA-N 2 1 357.568 0.606 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481700375 250350296 /nfs/dbraw/zinc/35/02/96/250350296.db2.gz ZBFNMTFLAHBVRB-WMZOPIPTSA-N 2 1 371.595 0.997 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739679 250352191 /nfs/dbraw/zinc/35/21/91/250352191.db2.gz IVIPRSXRBVOZNV-HUUCEWRRSA-N 2 1 356.536 0.388 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000481739679 250352195 /nfs/dbraw/zinc/35/21/95/250352195.db2.gz IVIPRSXRBVOZNV-HUUCEWRRSA-N 2 1 356.536 0.388 20 0 FCADMP CC[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000481923308 250371530 /nfs/dbraw/zinc/37/15/30/250371530.db2.gz QVXUGVXSTMJRJC-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-n2cnnn2)cc1 ZINC000482532970 250392558 /nfs/dbraw/zinc/39/25/58/250392558.db2.gz LGZWTAIZJGIFLQ-GDBMZVCRSA-N 2 1 357.462 0.900 20 0 FCADMP NC(=O)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269719785 211053997 /nfs/dbraw/zinc/05/39/97/211053997.db2.gz PTHRFQIYGPXJJA-HNNXBMFYSA-N 2 1 352.866 0.871 20 0 FCADMP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]([NH3+])CC(N)=O)ccc1OC ZINC000269703985 211050179 /nfs/dbraw/zinc/05/01/79/211050179.db2.gz MRCQIDHXFRXLTE-CYBMUJFWSA-N 2 1 352.435 0.557 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)N1CC[NH+](C)CC1 ZINC000269657931 211037197 /nfs/dbraw/zinc/03/71/97/211037197.db2.gz HUDRQWKOZVLEKD-DOTOQJQBSA-N 2 1 360.506 0.796 20 0 FCADMP C[C@@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)N1CC[NH+](C)CC1 ZINC000269657935 211036158 /nfs/dbraw/zinc/03/61/58/211036158.db2.gz HUDRQWKOZVLEKD-RDJZCZTQSA-N 2 1 360.506 0.796 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000500089274 250784645 /nfs/dbraw/zinc/78/46/45/250784645.db2.gz HCOBTPDOGVDULL-KRWDZBQOSA-N 2 1 360.568 0.664 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413463043 532991749 /nfs/dbraw/zinc/99/17/49/532991749.db2.gz XZCQJXXFZQXPJJ-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000069506670 208033473 /nfs/dbraw/zinc/03/34/73/208033473.db2.gz QXBGHWZUMNAWTN-QGZVFWFLSA-N 2 1 365.522 0.809 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112507898 208296981 /nfs/dbraw/zinc/29/69/81/208296981.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 1 374.489 0.492 20 0 FCADMP CN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112507898 208296985 /nfs/dbraw/zinc/29/69/85/208296985.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 1 374.489 0.492 20 0 FCADMP Cc1ccc(NC(=O)C2CCN(CC(=O)N3CCN(C)CC3)CC2)nc1 ZINC000121258909 208398122 /nfs/dbraw/zinc/39/81/22/208398122.db2.gz KOFWOTDJTKSDMP-UHFFFAOYSA-N 2 1 359.474 0.815 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000931879781 674149964 /nfs/dbraw/zinc/14/99/64/674149964.db2.gz OWDQISISVZNKMG-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000931879781 674149967 /nfs/dbraw/zinc/14/99/67/674149967.db2.gz OWDQISISVZNKMG-SJORKVTESA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000177415581 209023038 /nfs/dbraw/zinc/02/30/38/209023038.db2.gz WNLBTZLSCFDODQ-INIZCTEOSA-N 2 1 356.511 0.441 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+](C)C1 ZINC000413298991 533481490 /nfs/dbraw/zinc/48/14/90/533481490.db2.gz LCBBVHOMUNYMDJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298991 533481494 /nfs/dbraw/zinc/48/14/94/533481494.db2.gz LCBBVHOMUNYMDJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+](C)C1 ZINC000413298991 533481497 /nfs/dbraw/zinc/48/14/97/533481497.db2.gz LCBBVHOMUNYMDJ-GJZGRUSLSA-N 2 1 352.479 0.750 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188443791 229247190 /nfs/dbraw/zinc/24/71/90/229247190.db2.gz GIQWAUAWYXDHGH-INIZCTEOSA-N 2 1 370.538 0.974 20 0 FCADMP CN(C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410501114 230107708 /nfs/dbraw/zinc/10/77/08/230107708.db2.gz YYICPQUFZQZPEP-KRWDZBQOSA-N 2 1 373.501 0.896 20 0 FCADMP CN(C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410501114 230107713 /nfs/dbraw/zinc/10/77/13/230107713.db2.gz YYICPQUFZQZPEP-KRWDZBQOSA-N 2 1 373.501 0.896 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000410526475 230121172 /nfs/dbraw/zinc/12/11/72/230121172.db2.gz OIUYIQWDCSZGOM-HXUWFJFHSA-N 2 1 373.501 0.755 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000410526475 230121176 /nfs/dbraw/zinc/12/11/76/230121176.db2.gz OIUYIQWDCSZGOM-HXUWFJFHSA-N 2 1 373.501 0.755 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410736633 230227720 /nfs/dbraw/zinc/22/77/20/230227720.db2.gz OLXNRODWTXDGGF-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@H+]1C ZINC000410927203 230307904 /nfs/dbraw/zinc/30/79/04/230307904.db2.gz JVNGSEIWZWMNSH-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@@H+]1C ZINC000410927203 230307910 /nfs/dbraw/zinc/30/79/10/230307910.db2.gz JVNGSEIWZWMNSH-HLLBOEOZSA-N 2 1 350.507 0.728 20 0 FCADMP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000932623544 674204644 /nfs/dbraw/zinc/20/46/44/674204644.db2.gz ZYRKFYXXZKEXLT-UKRRQHHQSA-N 2 1 370.519 0.803 20 0 FCADMP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932623544 674204647 /nfs/dbraw/zinc/20/46/47/674204647.db2.gz ZYRKFYXXZKEXLT-UKRRQHHQSA-N 2 1 370.519 0.803 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950472 674230950 /nfs/dbraw/zinc/23/09/50/674230950.db2.gz AXBPSYXGVSPLDL-HOCLYGCPSA-N 2 1 368.503 0.016 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000932950472 674230953 /nfs/dbraw/zinc/23/09/53/674230953.db2.gz AXBPSYXGVSPLDL-HOCLYGCPSA-N 2 1 368.503 0.016 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000533321747 484202707 /nfs/dbraw/zinc/20/27/07/484202707.db2.gz QLFKFWWSBRZDCX-AWEZNQCLSA-N 2 1 350.467 0.230 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC000488683949 484222830 /nfs/dbraw/zinc/22/28/30/484222830.db2.gz JZSSDUKLNDLHEI-AWEZNQCLSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1C ZINC000488683949 484222835 /nfs/dbraw/zinc/22/28/35/484222835.db2.gz JZSSDUKLNDLHEI-AWEZNQCLSA-N 2 1 350.467 0.182 20 0 FCADMP [NH3+]C[C@@H]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562795851 491189412 /nfs/dbraw/zinc/18/94/12/491189412.db2.gz CGJXVOJYDDCOFQ-KRWDZBQOSA-N 2 1 360.506 0.974 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000363847421 488891636 /nfs/dbraw/zinc/89/16/36/488891636.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363847421 488891637 /nfs/dbraw/zinc/89/16/37/488891637.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 2 1 355.527 0.375 20 0 FCADMP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363847421 488891640 /nfs/dbraw/zinc/89/16/40/488891640.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 2 1 355.527 0.375 20 0 FCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940343 488895738 /nfs/dbraw/zinc/89/57/38/488895738.db2.gz PNNORQYBMFQVTG-RTBURBONSA-N 2 1 370.497 0.789 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327013915 488917884 /nfs/dbraw/zinc/91/78/84/488917884.db2.gz GDCLKUBITZICLM-ARFHVFGLSA-N 2 1 354.495 0.108 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000364052884 488918311 /nfs/dbraw/zinc/91/83/11/488918311.db2.gz DAWXVLAPGADYNA-ARFHVFGLSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000364052884 488918313 /nfs/dbraw/zinc/91/83/13/488918313.db2.gz DAWXVLAPGADYNA-ARFHVFGLSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000364052884 488918314 /nfs/dbraw/zinc/91/83/14/488918314.db2.gz DAWXVLAPGADYNA-ARFHVFGLSA-N 2 1 368.478 0.128 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000364052884 488918316 /nfs/dbraw/zinc/91/83/16/488918316.db2.gz DAWXVLAPGADYNA-ARFHVFGLSA-N 2 1 368.478 0.128 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364163021 488929801 /nfs/dbraw/zinc/92/98/01/488929801.db2.gz OITPGDCVDVWOLI-SJORKVTESA-N 2 1 356.511 0.849 20 0 FCADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208916 488936187 /nfs/dbraw/zinc/93/61/87/488936187.db2.gz AQSCNXUGFKPLCB-UYAOXDASSA-N 2 1 374.529 0.890 20 0 FCADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000364208916 488936189 /nfs/dbraw/zinc/93/61/89/488936189.db2.gz AQSCNXUGFKPLCB-UYAOXDASSA-N 2 1 374.529 0.890 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000364215135 488936842 /nfs/dbraw/zinc/93/68/42/488936842.db2.gz NKMJRAZMKFIWKJ-YLJYHZDGSA-N 2 1 356.470 0.941 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000364230926 488938114 /nfs/dbraw/zinc/93/81/14/488938114.db2.gz VAVNDNZHUCXVLQ-INIZCTEOSA-N 2 1 353.511 0.176 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283026 488943223 /nfs/dbraw/zinc/94/32/23/488943223.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283026 488943227 /nfs/dbraw/zinc/94/32/27/488943227.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283026 488943229 /nfs/dbraw/zinc/94/32/29/488943229.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 2 1 367.538 0.517 20 0 FCADMP CC[NH+](CC)CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000047578178 488036564 /nfs/dbraw/zinc/03/65/64/488036564.db2.gz IUULBALFDOZDBG-UHFFFAOYSA-N 2 1 363.510 0.630 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000047980925 488052328 /nfs/dbraw/zinc/05/23/28/488052328.db2.gz LFDANUWVWSHKCN-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051957328 488152697 /nfs/dbraw/zinc/15/26/97/488152697.db2.gz FUPXRFJLHZQQJS-UHFFFAOYSA-N 3 1 352.523 0.631 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000063733682 488307674 /nfs/dbraw/zinc/30/76/74/488307674.db2.gz NNWKAXJSUMWAIY-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000063733682 488307677 /nfs/dbraw/zinc/30/76/77/488307677.db2.gz NNWKAXJSUMWAIY-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069395790 488372355 /nfs/dbraw/zinc/37/23/55/488372355.db2.gz YVQVCFSAICULRM-UHFFFAOYSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069402297 488372361 /nfs/dbraw/zinc/37/23/61/488372361.db2.gz QACJBOXJPRUDEG-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000069402297 488372362 /nfs/dbraw/zinc/37/23/62/488372362.db2.gz QACJBOXJPRUDEG-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000073253783 488384190 /nfs/dbraw/zinc/38/41/90/488384190.db2.gz KBLXJVSOWPNRRJ-AWEZNQCLSA-N 2 1 354.414 0.806 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601985 488385162 /nfs/dbraw/zinc/38/51/62/488385162.db2.gz KLDLYMDLFDBAHY-QAPCUYQASA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000073651151 488385782 /nfs/dbraw/zinc/38/57/82/488385782.db2.gz WKHOHIHOSQYYTB-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000073651151 488385783 /nfs/dbraw/zinc/38/57/83/488385783.db2.gz WKHOHIHOSQYYTB-QGZVFWFLSA-N 2 1 365.522 0.714 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074064675 488387467 /nfs/dbraw/zinc/38/74/67/488387467.db2.gz YISWBDKONXGSIQ-QGZVFWFLSA-N 2 1 369.554 0.670 20 0 FCADMP CC(C)C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074193140 488388801 /nfs/dbraw/zinc/38/88/01/488388801.db2.gz YXSBFOCLIGJPBX-SJORKVTESA-N 2 1 368.522 0.260 20 0 FCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182952398 488390281 /nfs/dbraw/zinc/39/02/81/488390281.db2.gz IVHDZFWVKDKHNJ-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP C[NH+]1CCC(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000074345369 488390762 /nfs/dbraw/zinc/39/07/62/488390762.db2.gz KUFFITBXJMHWGI-MRXNPFEDSA-N 2 1 353.511 0.605 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000074345299 488390983 /nfs/dbraw/zinc/39/09/83/488390983.db2.gz SINHICIFWODWLI-HOTGVXAUSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345299 488390986 /nfs/dbraw/zinc/39/09/86/488390986.db2.gz SINHICIFWODWLI-HOTGVXAUSA-N 2 1 353.511 0.557 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345299 488390987 /nfs/dbraw/zinc/39/09/87/488390987.db2.gz SINHICIFWODWLI-HOTGVXAUSA-N 2 1 353.511 0.557 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000183218155 488391684 /nfs/dbraw/zinc/39/16/84/488391684.db2.gz HUVAVFHXYWOWGV-LSDHHAIUSA-N 2 1 350.463 0.549 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000183218155 488391686 /nfs/dbraw/zinc/39/16/86/488391686.db2.gz HUVAVFHXYWOWGV-LSDHHAIUSA-N 2 1 350.463 0.549 20 0 FCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000191417543 488419545 /nfs/dbraw/zinc/41/95/45/488419545.db2.gz GWGGFOZQZOBBGL-GOSISDBHSA-N 2 1 352.523 0.726 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[NH2+]CCOC)cc2)CC1 ZINC000236868608 488453778 /nfs/dbraw/zinc/45/37/78/488453778.db2.gz POKBATHXMIJSAK-UHFFFAOYSA-N 2 1 362.474 0.568 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237515009 488456017 /nfs/dbraw/zinc/45/60/17/488456017.db2.gz IMMRYUAPODVEPO-HOTGVXAUSA-N 2 1 363.531 0.803 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092665940 488475734 /nfs/dbraw/zinc/47/57/34/488475734.db2.gz VKSRXMIMKARHQI-HOTGVXAUSA-N 2 1 363.506 0.074 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256437 488483791 /nfs/dbraw/zinc/48/37/91/488483791.db2.gz SLTVLRKYRSLZOU-WBVHZDCISA-N 2 1 360.458 0.701 20 0 FCADMP C[C@]1(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000269269051 488484683 /nfs/dbraw/zinc/48/46/83/488484683.db2.gz QVMSKANAOURGAN-XLIONFOSSA-N 2 1 358.486 1.000 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000101982451 488496770 /nfs/dbraw/zinc/49/67/70/488496770.db2.gz VVQVJPWBZAZKJQ-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000101982451 488496771 /nfs/dbraw/zinc/49/67/71/488496771.db2.gz VVQVJPWBZAZKJQ-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP CC1CC[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104800837 488505610 /nfs/dbraw/zinc/50/56/10/488505610.db2.gz NTXZTXAXHRZWQO-KRWDZBQOSA-N 2 1 367.538 0.995 20 0 FCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](C)C1CC1 ZINC000105223192 488507957 /nfs/dbraw/zinc/50/79/57/488507957.db2.gz PFMWSRGGEPBAND-GOEBONIOSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000105223192 488507960 /nfs/dbraw/zinc/50/79/60/488507960.db2.gz PFMWSRGGEPBAND-GOEBONIOSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H](CNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000105223192 488507962 /nfs/dbraw/zinc/50/79/62/488507962.db2.gz PFMWSRGGEPBAND-GOEBONIOSA-N 2 1 353.511 0.711 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000569928801 491203988 /nfs/dbraw/zinc/20/39/88/491203988.db2.gz GTGZTVXBRFBNMN-CBZIJGRNSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N1CC[NH+](C)CC1 ZINC000111812444 488531268 /nfs/dbraw/zinc/53/12/68/488531268.db2.gz DZYKLPGLJFZVSL-SFHVURJKSA-N 2 1 369.554 0.262 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000111810075 488531478 /nfs/dbraw/zinc/53/14/78/488531478.db2.gz WJTMWBIRGZSUNL-IYBDPMFKSA-N 2 1 370.538 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000111810075 488531480 /nfs/dbraw/zinc/53/14/80/488531480.db2.gz WJTMWBIRGZSUNL-IYBDPMFKSA-N 2 1 370.538 0.878 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261853545 488538415 /nfs/dbraw/zinc/53/84/15/488538415.db2.gz MPOXRFGGYBKEHO-KFWWJZLASA-N 2 1 360.462 0.384 20 0 FCADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261853545 488538418 /nfs/dbraw/zinc/53/84/18/488538418.db2.gz MPOXRFGGYBKEHO-KFWWJZLASA-N 2 1 360.462 0.384 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261906875 488541331 /nfs/dbraw/zinc/54/13/31/488541331.db2.gz XCVRWOCETRODGX-QAPCUYQASA-N 2 1 361.490 0.462 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114598342 488541550 /nfs/dbraw/zinc/54/15/50/488541550.db2.gz SGQMRLBSWJHEPM-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114598342 488541553 /nfs/dbraw/zinc/54/15/53/488541553.db2.gz SGQMRLBSWJHEPM-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114598342 488541555 /nfs/dbraw/zinc/54/15/55/488541555.db2.gz SGQMRLBSWJHEPM-SFHVURJKSA-N 2 1 369.554 0.550 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114602668 488541764 /nfs/dbraw/zinc/54/17/64/488541764.db2.gz VWVNHBVABMRXTB-ZWKOTPCHSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114602668 488541766 /nfs/dbraw/zinc/54/17/66/488541766.db2.gz VWVNHBVABMRXTB-ZWKOTPCHSA-N 2 1 367.538 0.255 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114602668 488541769 /nfs/dbraw/zinc/54/17/69/488541769.db2.gz VWVNHBVABMRXTB-ZWKOTPCHSA-N 2 1 367.538 0.255 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262125727 488552335 /nfs/dbraw/zinc/55/23/35/488552335.db2.gz GBWLHGWAIIZVCW-UHFFFAOYSA-N 2 1 362.522 0.352 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000262146585 488553546 /nfs/dbraw/zinc/55/35/46/488553546.db2.gz OXLUEPKNJCOTST-YOEHRIQHSA-N 2 1 350.463 0.514 20 0 FCADMP CC1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000262164145 488554642 /nfs/dbraw/zinc/55/46/42/488554642.db2.gz HDOQSZFNPVWDLF-DLBZAZTESA-N 2 1 350.507 0.825 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000262222324 488558208 /nfs/dbraw/zinc/55/82/08/488558208.db2.gz MWGZBSYAAUFCSQ-MJGOQNOKSA-N 2 1 358.486 0.788 20 0 FCADMP CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000262222324 488558210 /nfs/dbraw/zinc/55/82/10/488558210.db2.gz MWGZBSYAAUFCSQ-MJGOQNOKSA-N 2 1 358.486 0.788 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262346362 488565146 /nfs/dbraw/zinc/56/51/46/488565146.db2.gz IOJZCCGEGILJLO-KFWWJZLASA-N 2 1 359.536 0.636 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262392480 488567862 /nfs/dbraw/zinc/56/78/62/488567862.db2.gz OJYKWVVKYGBKHF-FQEVSTJZSA-N 2 1 371.529 0.310 20 0 FCADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)C1 ZINC000121477682 488568494 /nfs/dbraw/zinc/56/84/94/488568494.db2.gz BJAPDTFLRUMRKV-ROUUACIJSA-N 2 1 369.554 0.404 20 0 FCADMP CC(C)[N@H+]1C[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000121477682 488568497 /nfs/dbraw/zinc/56/84/97/488568497.db2.gz BJAPDTFLRUMRKV-ROUUACIJSA-N 2 1 369.554 0.404 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262459803 488571716 /nfs/dbraw/zinc/57/17/16/488571716.db2.gz WXRPQIGBDXGHHM-RDJZCZTQSA-N 2 1 360.458 0.701 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1 ZINC000262643001 488584131 /nfs/dbraw/zinc/58/41/31/488584131.db2.gz LTEXNJLCWNPGBZ-KRWDZBQOSA-N 2 1 352.523 0.901 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000262776458 488592141 /nfs/dbraw/zinc/59/21/41/488592141.db2.gz KBBJVWLYXWZLRZ-INIZCTEOSA-N 2 1 368.441 0.757 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806800 488594601 /nfs/dbraw/zinc/59/46/01/488594601.db2.gz PUMPQXRDAKUKIF-DLBZAZTESA-N 2 1 362.522 0.811 20 0 FCADMP CO[C@H](C[NH3+])CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262897050 488598291 /nfs/dbraw/zinc/59/82/91/488598291.db2.gz PDIBZIZZCJXQAH-SJORKVTESA-N 2 1 362.474 0.364 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000129381759 488630914 /nfs/dbraw/zinc/63/09/14/488630914.db2.gz HAYHFOFEHXALEI-GJZGRUSLSA-N 2 1 371.507 0.164 20 0 FCADMP C[C@H]1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1ccnc1 ZINC000129381759 488630916 /nfs/dbraw/zinc/63/09/16/488630916.db2.gz HAYHFOFEHXALEI-GJZGRUSLSA-N 2 1 371.507 0.164 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000263860876 488631698 /nfs/dbraw/zinc/63/16/98/488631698.db2.gz FJKBMRXLAKSHHK-UHFFFAOYSA-N 2 1 361.490 0.825 20 0 FCADMP CN1Cc2ccc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2C1 ZINC000130066805 488635696 /nfs/dbraw/zinc/63/56/96/488635696.db2.gz KONBNEXHNDLKHI-GOSISDBHSA-N 2 1 374.485 0.924 20 0 FCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCC[C@@H]3CO)cc2C1 ZINC000130066805 488635697 /nfs/dbraw/zinc/63/56/97/488635697.db2.gz KONBNEXHNDLKHI-GOSISDBHSA-N 2 1 374.485 0.924 20 0 FCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCC[C@@H]3CO)cc2C1 ZINC000130066805 488635698 /nfs/dbraw/zinc/63/56/98/488635698.db2.gz KONBNEXHNDLKHI-GOSISDBHSA-N 2 1 374.485 0.924 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2C1 ZINC000130066805 488635699 /nfs/dbraw/zinc/63/56/99/488635699.db2.gz KONBNEXHNDLKHI-GOSISDBHSA-N 2 1 374.485 0.924 20 0 FCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2C1 ZINC000130066805 488635700 /nfs/dbraw/zinc/63/57/00/488635700.db2.gz KONBNEXHNDLKHI-GOSISDBHSA-N 2 1 374.485 0.924 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000131090569 488643130 /nfs/dbraw/zinc/64/31/30/488643130.db2.gz VYJJVFBCNJQPGN-HKUYNNGSSA-N 2 1 370.538 0.737 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000131090569 488643133 /nfs/dbraw/zinc/64/31/33/488643133.db2.gz VYJJVFBCNJQPGN-HKUYNNGSSA-N 2 1 370.538 0.737 20 0 FCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2C1 ZINC000132048082 488650057 /nfs/dbraw/zinc/65/00/57/488650057.db2.gz CTGGXSGLDJBNNW-IBGZPJMESA-N 2 1 362.474 0.780 20 0 FCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2C1 ZINC000132048082 488650058 /nfs/dbraw/zinc/65/00/58/488650058.db2.gz CTGGXSGLDJBNNW-IBGZPJMESA-N 2 1 362.474 0.780 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000132063061 488650562 /nfs/dbraw/zinc/65/05/62/488650562.db2.gz JIHWDWFVYMAEAS-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000134156073 488665090 /nfs/dbraw/zinc/66/50/90/488665090.db2.gz OGGAXRPEBCKWHE-ROUUACIJSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000134156073 488665091 /nfs/dbraw/zinc/66/50/91/488665091.db2.gz OGGAXRPEBCKWHE-ROUUACIJSA-N 2 1 353.507 0.983 20 0 FCADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000134156073 488665092 /nfs/dbraw/zinc/66/50/92/488665092.db2.gz OGGAXRPEBCKWHE-ROUUACIJSA-N 2 1 353.507 0.983 20 0 FCADMP CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000136387843 488677406 /nfs/dbraw/zinc/67/74/06/488677406.db2.gz SAHDLHBKJGKSDI-MRXNPFEDSA-N 2 1 351.495 0.419 20 0 FCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136934401 488679007 /nfs/dbraw/zinc/67/90/07/488679007.db2.gz UJJYWXWJAPDZJV-INIZCTEOSA-N 2 1 350.463 0.863 20 0 FCADMP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264583356 488687711 /nfs/dbraw/zinc/68/77/11/488687711.db2.gz KBYVQKOURBBXIG-KRWDZBQOSA-N 2 1 361.490 0.887 20 0 FCADMP C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000152167640 488713758 /nfs/dbraw/zinc/71/37/58/488713758.db2.gz BJJLVSKRVNKNLY-HNNXBMFYSA-N 2 1 354.520 0.190 20 0 FCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000264843068 488718405 /nfs/dbraw/zinc/71/84/05/488718405.db2.gz KJFUGRSBELBUEK-UHFFFAOYSA-N 2 1 361.490 0.871 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000154030578 488737434 /nfs/dbraw/zinc/73/74/34/488737434.db2.gz KXCBSIXXZUYFEI-SFHVURJKSA-N 2 1 369.554 0.406 20 0 FCADMP CSCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000166983222 488812245 /nfs/dbraw/zinc/81/22/45/488812245.db2.gz HKVUSTJKWNVQDE-MRXNPFEDSA-N 2 1 364.515 0.527 20 0 FCADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000171190404 488820920 /nfs/dbraw/zinc/82/09/20/488820920.db2.gz KQPLZAXZEVZJKJ-UHFFFAOYSA-N 2 1 356.511 0.899 20 0 FCADMP C[C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000172624406 488835939 /nfs/dbraw/zinc/83/59/39/488835939.db2.gz UUKICFLEYRFPPS-QGZVFWFLSA-N 2 1 368.522 0.709 20 0 FCADMP C[C@](O)(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000173278334 488842146 /nfs/dbraw/zinc/84/21/46/488842146.db2.gz GDYYRHPOMFHXON-SFHVURJKSA-N 2 1 356.511 0.678 20 0 FCADMP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)n1 ZINC000173538519 488843415 /nfs/dbraw/zinc/84/34/15/488843415.db2.gz NCGVXSZMBCJUIF-QGZVFWFLSA-N 2 1 361.490 0.960 20 0 FCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000173681996 488844399 /nfs/dbraw/zinc/84/43/99/488844399.db2.gz BHJVLWLNBCEWLJ-DOTOQJQBSA-N 2 1 363.506 0.940 20 0 FCADMP CN1CC[NH+](CCCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000174444262 488849048 /nfs/dbraw/zinc/84/90/48/488849048.db2.gz JWXNYHKPQRJHLK-UHFFFAOYSA-N 2 1 373.545 0.952 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000174778720 488851194 /nfs/dbraw/zinc/85/11/94/488851194.db2.gz MIHFGIPVSKVMHX-APWZRJJASA-N 2 1 372.513 0.960 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000175798061 488855568 /nfs/dbraw/zinc/85/55/68/488855568.db2.gz LPBKXBMDIPOOKI-NSHGMRRFSA-N 2 1 369.550 0.891 20 0 FCADMP C[NH+]1CCN(c2ncc(CN3CC[NH+](CC4CCOCC4)CC3)cn2)CC1 ZINC000179626889 488861401 /nfs/dbraw/zinc/86/14/01/488861401.db2.gz NVDRDHZIUKKONI-UHFFFAOYSA-N 2 1 374.533 0.773 20 0 FCADMP CC(CC[NH+]1CCN2CCOC[C@@H]2C1)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000563220905 491228432 /nfs/dbraw/zinc/22/84/32/491228432.db2.gz IBWXOMAZYWKCED-PMACEKPBSA-N 2 1 366.550 0.436 20 0 FCADMP OC[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000570268559 491228844 /nfs/dbraw/zinc/22/88/44/491228844.db2.gz JIBBTRHTXPZGAI-JVSBHGNQSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000570268559 491228847 /nfs/dbraw/zinc/22/88/47/491228847.db2.gz JIBBTRHTXPZGAI-JVSBHGNQSA-N 2 1 364.486 0.037 20 0 FCADMP OC[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000570268559 491228851 /nfs/dbraw/zinc/22/88/51/491228851.db2.gz JIBBTRHTXPZGAI-JVSBHGNQSA-N 2 1 364.486 0.037 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)(N2CCCCC2)CC1 ZINC000365024647 489030502 /nfs/dbraw/zinc/03/05/02/489030502.db2.gz CHGWNYAAYUQHGD-HUUCEWRRSA-N 2 1 352.479 0.086 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000329722498 489030595 /nfs/dbraw/zinc/03/05/95/489030595.db2.gz NKZGCRLMEIPGOC-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000329722498 489030596 /nfs/dbraw/zinc/03/05/96/489030596.db2.gz NKZGCRLMEIPGOC-IAGOWNOFSA-N 2 1 366.506 0.252 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000563243168 491230800 /nfs/dbraw/zinc/23/08/00/491230800.db2.gz CIAGMGHCTLXTTE-INIZCTEOSA-N 2 1 359.474 0.521 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280963623 489044123 /nfs/dbraw/zinc/04/41/23/489044123.db2.gz ZGVHVKFRUCJQLS-VQIMIIECSA-N 2 1 358.490 0.495 20 0 FCADMP CN(C(=O)CCC(=O)N1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365231673 489051942 /nfs/dbraw/zinc/05/19/42/489051942.db2.gz YFJSGFPPNMTHEI-QGZVFWFLSA-N 2 1 366.506 0.252 20 0 FCADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000289265250 489054054 /nfs/dbraw/zinc/05/40/54/489054054.db2.gz WMZVCPZWOGFUSK-SJLPKXTDSA-N 2 1 363.506 0.843 20 0 FCADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000289265250 489054056 /nfs/dbraw/zinc/05/40/56/489054056.db2.gz WMZVCPZWOGFUSK-SJLPKXTDSA-N 2 1 363.506 0.843 20 0 FCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000554911746 491232051 /nfs/dbraw/zinc/23/20/51/491232051.db2.gz IZURDYGOHJPFAW-INIZCTEOSA-N 3 1 369.554 0.175 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000365523835 489084342 /nfs/dbraw/zinc/08/43/42/489084342.db2.gz JBWOGHLBJFXUGN-LJQANCHMSA-N 2 1 360.502 0.885 20 0 FCADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000365619904 489093472 /nfs/dbraw/zinc/09/34/72/489093472.db2.gz CEABTGJDEYXWCM-ZDUSSCGKSA-N 2 1 371.445 0.047 20 0 FCADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000290010597 489108161 /nfs/dbraw/zinc/10/81/61/489108161.db2.gz SGNOZZZYDFTJCE-QGZVFWFLSA-N 2 1 362.474 0.548 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172642 489154649 /nfs/dbraw/zinc/15/46/49/489154649.db2.gz SIUXFHBEJZIWPY-HKUYNNGSSA-N 2 1 351.539 0.997 20 0 FCADMP C[N@@H+](C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778484 489164842 /nfs/dbraw/zinc/16/48/42/489164842.db2.gz MOPBBKYUYLAGPN-PXNSSMCTSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778484 489164843 /nfs/dbraw/zinc/16/48/43/489164843.db2.gz MOPBBKYUYLAGPN-PXNSSMCTSA-N 2 1 372.469 0.638 20 0 FCADMP C[NH+](C[C@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778484 489164845 /nfs/dbraw/zinc/16/48/45/489164845.db2.gz MOPBBKYUYLAGPN-PXNSSMCTSA-N 2 1 372.469 0.638 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000366400511 489177454 /nfs/dbraw/zinc/17/74/54/489177454.db2.gz RHUFUMYLLVJINX-DLBZAZTESA-N 2 1 353.507 0.935 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491149 489188547 /nfs/dbraw/zinc/18/85/47/489188547.db2.gz DOBSQUGECDVMJE-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491150 489188562 /nfs/dbraw/zinc/18/85/62/489188562.db2.gz DOBSQUGECDVMJE-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399612 489206588 /nfs/dbraw/zinc/20/65/88/489206588.db2.gz SAUQSFJLGMIUEL-HXUWFJFHSA-N 2 1 366.550 0.852 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000331404170 489207010 /nfs/dbraw/zinc/20/70/10/489207010.db2.gz PVIHYPOQNCYIMY-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000331404170 489207012 /nfs/dbraw/zinc/20/70/12/489207012.db2.gz PVIHYPOQNCYIMY-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000331404170 489207013 /nfs/dbraw/zinc/20/70/13/489207013.db2.gz PVIHYPOQNCYIMY-YYIAUSFCSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000331408585 489207494 /nfs/dbraw/zinc/20/74/94/489207494.db2.gz IWHNYXGFSNBGMU-HOTGVXAUSA-N 2 1 350.507 0.968 20 0 FCADMP CCn1cc(CN2CCCN(C(=O)[C@@H](NC)c3cnn(C)c3)CC2)cn1 ZINC000570447921 491241403 /nfs/dbraw/zinc/24/14/03/491241403.db2.gz DIJVAOFZUCYAMI-KRWDZBQOSA-N 2 1 359.478 0.632 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000332967285 489252169 /nfs/dbraw/zinc/25/21/69/489252169.db2.gz PXVPHJFGIHFSGV-YESZJQIVSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332967285 489252173 /nfs/dbraw/zinc/25/21/73/489252173.db2.gz PXVPHJFGIHFSGV-YESZJQIVSA-N 2 1 363.506 0.561 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332967285 489252174 /nfs/dbraw/zinc/25/21/74/489252174.db2.gz PXVPHJFGIHFSGV-YESZJQIVSA-N 2 1 363.506 0.561 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000332966887 489252232 /nfs/dbraw/zinc/25/22/32/489252232.db2.gz FQHYGTCPCNBFIU-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000332966887 489252233 /nfs/dbraw/zinc/25/22/33/489252233.db2.gz FQHYGTCPCNBFIU-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332977544 489253200 /nfs/dbraw/zinc/25/32/00/489253200.db2.gz IPPHPEMNKCKQLG-JKSUJKDBSA-N 2 1 356.536 0.712 20 0 FCADMP C[NH+](C)CCn1ccc(=NC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)[nH]1 ZINC000369691417 489264830 /nfs/dbraw/zinc/26/48/30/489264830.db2.gz IERRUROYQNEKLA-UHFFFAOYSA-N 2 1 360.466 0.396 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000283515686 489268938 /nfs/dbraw/zinc/26/89/38/489268938.db2.gz IMFIMRMQQYEUST-KRWDZBQOSA-N 2 1 362.474 0.244 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1ccsc1 ZINC000283534079 489271144 /nfs/dbraw/zinc/27/11/44/489271144.db2.gz DJPGTTUMYQSXPF-UHFFFAOYSA-N 2 1 352.504 0.849 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1ccsc1 ZINC000283534079 489271148 /nfs/dbraw/zinc/27/11/48/489271148.db2.gz DJPGTTUMYQSXPF-UHFFFAOYSA-N 2 1 352.504 0.849 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283546525 489273078 /nfs/dbraw/zinc/27/30/78/489273078.db2.gz SCTADHGXFFCWQU-SUMDDJOVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283546525 489273080 /nfs/dbraw/zinc/27/30/80/489273080.db2.gz SCTADHGXFFCWQU-SUMDDJOVSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283546525 489273084 /nfs/dbraw/zinc/27/30/84/489273084.db2.gz SCTADHGXFFCWQU-SUMDDJOVSA-N 2 1 370.497 0.976 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283578984 489277112 /nfs/dbraw/zinc/27/71/12/489277112.db2.gz UUJRLDJKJHLIHP-QGZVFWFLSA-N 2 1 355.442 0.698 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283578984 489277113 /nfs/dbraw/zinc/27/71/13/489277113.db2.gz UUJRLDJKJHLIHP-QGZVFWFLSA-N 2 1 355.442 0.698 20 0 FCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820628 489279017 /nfs/dbraw/zinc/27/90/17/489279017.db2.gz CHSLUMQYJBPXJB-IAGOWNOFSA-N 2 1 353.511 0.129 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000283629308 489283247 /nfs/dbraw/zinc/28/32/47/489283247.db2.gz XYFMMSSJTVXMGY-UHFFFAOYSA-N 2 1 364.465 0.974 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000563459822 491249143 /nfs/dbraw/zinc/24/91/43/491249143.db2.gz ZHKHEPSEJJQXJM-ROUUACIJSA-N 2 1 358.486 0.615 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075983 489313783 /nfs/dbraw/zinc/31/37/83/489313783.db2.gz CUWUBCXMYRUHFK-SJORKVTESA-N 2 1 353.511 0.175 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370075980 489313887 /nfs/dbraw/zinc/31/38/87/489313887.db2.gz CUWUBCXMYRUHFK-DLBZAZTESA-N 2 1 353.511 0.175 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285860766 489327427 /nfs/dbraw/zinc/32/74/27/489327427.db2.gz YJZCCJVMSOKGHL-AWEZNQCLSA-N 2 1 354.451 0.894 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285860766 489327429 /nfs/dbraw/zinc/32/74/29/489327429.db2.gz YJZCCJVMSOKGHL-AWEZNQCLSA-N 2 1 354.451 0.894 20 0 FCADMP C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000370203198 489327752 /nfs/dbraw/zinc/32/77/52/489327752.db2.gz ZTYSJGAYTTXIMZ-CALCHBBNSA-N 2 1 353.507 0.935 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000298724920 489357216 /nfs/dbraw/zinc/35/72/16/489357216.db2.gz SELVAEVQEOUMPY-IRXDYDNUSA-N 2 1 361.490 0.983 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000298724920 489357218 /nfs/dbraw/zinc/35/72/18/489357218.db2.gz SELVAEVQEOUMPY-IRXDYDNUSA-N 2 1 361.490 0.983 20 0 FCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000563540377 491253740 /nfs/dbraw/zinc/25/37/40/491253740.db2.gz FAFGYRFCQWKJKY-BWTSREIZSA-N 2 1 357.502 0.841 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)[C@@H](C)C1 ZINC000570629361 491253807 /nfs/dbraw/zinc/25/38/07/491253807.db2.gz AJHWMZPACGIWTR-LSDHHAIUSA-N 2 1 352.483 0.494 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371063923 489447177 /nfs/dbraw/zinc/44/71/77/489447177.db2.gz NDTXIPDVSMSRRJ-DLBZAZTESA-N 2 1 352.479 0.356 20 0 FCADMP CN1CCN(C(=O)CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363358809 489457266 /nfs/dbraw/zinc/45/72/66/489457266.db2.gz KUEAFXULPQLDHP-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363358809 489457268 /nfs/dbraw/zinc/45/72/68/489457268.db2.gz KUEAFXULPQLDHP-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363358809 489457270 /nfs/dbraw/zinc/45/72/70/489457270.db2.gz KUEAFXULPQLDHP-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000299590675 489459875 /nfs/dbraw/zinc/45/98/75/489459875.db2.gz SXGQISBHFBLHSI-UHFFFAOYSA-N 2 1 364.475 0.306 20 0 FCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363389898 489461577 /nfs/dbraw/zinc/46/15/77/489461577.db2.gz OCKMZEYDEGCGNV-QZTJIDSGSA-N 3 1 369.554 0.765 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC000371292442 489474484 /nfs/dbraw/zinc/47/44/84/489474484.db2.gz BXRKSPGPLIWWIW-RBSFLKMASA-N 2 1 352.479 0.890 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539934 489477328 /nfs/dbraw/zinc/47/73/28/489477328.db2.gz QNWFHUICNAXBRU-ZWKOTPCHSA-N 2 1 351.539 0.251 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(NC(N)=O)CC1 ZINC000371325921 489477292 /nfs/dbraw/zinc/47/72/92/489477292.db2.gz JJYGPLUNTSTURL-UHFFFAOYSA-N 2 1 365.522 0.842 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539934 489477330 /nfs/dbraw/zinc/47/73/30/489477330.db2.gz QNWFHUICNAXBRU-ZWKOTPCHSA-N 2 1 351.539 0.251 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342875 489478804 /nfs/dbraw/zinc/47/88/04/489478804.db2.gz ZYFOBFOIBFWCDF-OKZBNKHCSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342875 489478805 /nfs/dbraw/zinc/47/88/05/489478805.db2.gz ZYFOBFOIBFWCDF-OKZBNKHCSA-N 2 1 352.523 0.630 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)[C@@H](C)C1 ZINC000371342875 489478808 /nfs/dbraw/zinc/47/88/08/489478808.db2.gz ZYFOBFOIBFWCDF-OKZBNKHCSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587957 489489378 /nfs/dbraw/zinc/48/93/78/489489378.db2.gz IMHQSNCNSGHBCQ-FUHWJXTLSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@H+](C)CC1 ZINC000371587957 489489379 /nfs/dbraw/zinc/48/93/79/489489379.db2.gz IMHQSNCNSGHBCQ-FUHWJXTLSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371587957 489489380 /nfs/dbraw/zinc/48/93/80/489489380.db2.gz IMHQSNCNSGHBCQ-FUHWJXTLSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1=CC[NH+](C)CC1 ZINC000371587958 489489470 /nfs/dbraw/zinc/48/94/70/489489470.db2.gz IMHQSNCNSGHBCQ-SJLPKXTDSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@@H](NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@H+](C)CC1 ZINC000371587958 489489471 /nfs/dbraw/zinc/48/94/71/489489471.db2.gz IMHQSNCNSGHBCQ-SJLPKXTDSA-N 2 1 365.522 0.343 20 0 FCADMP C[C@@H](NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371587958 489489472 /nfs/dbraw/zinc/48/94/72/489489472.db2.gz IMHQSNCNSGHBCQ-SJLPKXTDSA-N 2 1 365.522 0.343 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000371654554 489493625 /nfs/dbraw/zinc/49/36/25/489493625.db2.gz SQQLOLHDGSPUTM-GOSISDBHSA-N 2 1 367.538 0.376 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000423115963 489494017 /nfs/dbraw/zinc/49/40/17/489494017.db2.gz ZFVCXIZHDWBKEP-TUVASFSCSA-N 2 1 351.413 0.996 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000570679765 491257049 /nfs/dbraw/zinc/25/70/49/491257049.db2.gz XWYFRPGDZGURSQ-HOCLYGCPSA-N 2 1 362.478 0.125 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423110444 489494551 /nfs/dbraw/zinc/49/45/51/489494551.db2.gz IBVIMFGZCWSBQN-HUUCEWRRSA-N 2 1 364.515 0.631 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423116281 489494791 /nfs/dbraw/zinc/49/47/91/489494791.db2.gz PEPCALUJYYBGPA-UHFFFAOYSA-N 2 1 352.504 0.503 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423149121 489497646 /nfs/dbraw/zinc/49/76/46/489497646.db2.gz XCRWLCBAGUCDBK-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000423165485 489498890 /nfs/dbraw/zinc/49/88/90/489498890.db2.gz YCIKCWAOJSKLDK-UHFFFAOYSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423233603 489506028 /nfs/dbraw/zinc/50/60/28/489506028.db2.gz DUSUSUHAGNLFGX-HOCLYGCPSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000563627418 491259710 /nfs/dbraw/zinc/25/97/10/491259710.db2.gz ALXJAKYLYQVGDY-CRAIPNDOSA-N 2 1 358.486 0.881 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423283233 489511070 /nfs/dbraw/zinc/51/10/70/489511070.db2.gz DZWOWLZZROOTSR-HXUWFJFHSA-N 2 1 373.501 0.803 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423283230 489511349 /nfs/dbraw/zinc/51/13/49/489511349.db2.gz DZWOWLZZROOTSR-FQEVSTJZSA-N 2 1 373.501 0.803 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000555616417 491260121 /nfs/dbraw/zinc/26/01/21/491260121.db2.gz NHMCVASMDCRQRP-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000555616417 491260123 /nfs/dbraw/zinc/26/01/23/491260123.db2.gz NHMCVASMDCRQRP-JKSUJKDBSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616749 491260305 /nfs/dbraw/zinc/26/03/05/491260305.db2.gz ZVJIAVBIUGZDKS-KRWDZBQOSA-N 2 1 368.522 0.453 20 0 FCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616749 491260307 /nfs/dbraw/zinc/26/03/07/491260307.db2.gz ZVJIAVBIUGZDKS-KRWDZBQOSA-N 2 1 368.522 0.453 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1)[NH+]1CCOCC1 ZINC000415466160 489522852 /nfs/dbraw/zinc/52/28/52/489522852.db2.gz GNYLUTYQEXJTBU-RHSMWYFYSA-N 2 1 360.458 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949408 489527506 /nfs/dbraw/zinc/52/75/06/489527506.db2.gz VHDJDTCOOLPUBQ-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000415545241 489528594 /nfs/dbraw/zinc/52/85/94/489528594.db2.gz JKTSYHLLAIAPOA-HUUCEWRRSA-N 2 1 362.474 0.912 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000425860428 489534223 /nfs/dbraw/zinc/53/42/23/489534223.db2.gz GWKNOAKYWOZVDZ-UHFFFAOYSA-N 2 1 368.522 0.548 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000425910007 489548596 /nfs/dbraw/zinc/54/85/96/489548596.db2.gz SGDVXCIFUKHDAB-UHFFFAOYSA-N 2 1 368.522 0.545 20 0 FCADMP O=C(CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)NCC[NH+]1CCCCCC1 ZINC000452134998 489549937 /nfs/dbraw/zinc/54/99/37/489549937.db2.gz WXBTWLHSKREIQT-UHFFFAOYSA-N 2 1 370.457 0.989 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005748 489567491 /nfs/dbraw/zinc/56/74/91/489567491.db2.gz KDVDBUWGUQIRRH-QWRGUYRKSA-N 2 1 354.373 0.545 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CC[NH+](C)CC1 ZINC000415992763 489567556 /nfs/dbraw/zinc/56/75/56/489567556.db2.gz HQNAZMKCNLMCDL-STQMWFEESA-N 2 1 353.433 0.837 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000563702731 491264278 /nfs/dbraw/zinc/26/42/78/491264278.db2.gz LMJMYCGTFDLKGA-HOTGVXAUSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000563702731 491264279 /nfs/dbraw/zinc/26/42/79/491264279.db2.gz LMJMYCGTFDLKGA-HOTGVXAUSA-N 2 1 350.507 0.990 20 0 FCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000563702731 491264281 /nfs/dbraw/zinc/26/42/81/491264281.db2.gz LMJMYCGTFDLKGA-HOTGVXAUSA-N 2 1 350.507 0.990 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000570792687 491265065 /nfs/dbraw/zinc/26/50/65/491265065.db2.gz FYMXDRPPZWKKQL-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000555674639 491265127 /nfs/dbraw/zinc/26/51/27/491265127.db2.gz NEBOMIHXXZYNKR-QGZVFWFLSA-N 2 1 368.522 0.450 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000455476991 489593526 /nfs/dbraw/zinc/59/35/26/489593526.db2.gz PEXAHNUOCODVBD-WZYMTQMTSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000455476991 489593528 /nfs/dbraw/zinc/59/35/28/489593528.db2.gz PEXAHNUOCODVBD-WZYMTQMTSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000455476991 489593531 /nfs/dbraw/zinc/59/35/31/489593531.db2.gz PEXAHNUOCODVBD-WZYMTQMTSA-N 2 1 352.479 0.890 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000455476991 489593533 /nfs/dbraw/zinc/59/35/33/489593533.db2.gz PEXAHNUOCODVBD-WZYMTQMTSA-N 2 1 352.479 0.890 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455664102 489598022 /nfs/dbraw/zinc/59/80/22/489598022.db2.gz ZKHXVUOPVNFUAO-MRXNPFEDSA-N 2 1 365.526 0.840 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455670086 489598049 /nfs/dbraw/zinc/59/80/49/489598049.db2.gz PVKFALQMWNPWQW-HNNXBMFYSA-N 2 1 352.483 0.923 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)C1 ZINC000427291646 489600637 /nfs/dbraw/zinc/60/06/37/489600637.db2.gz IIRIAIZJNCEXNH-FUHWJXTLSA-N 2 1 358.486 1.000 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C[C@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000427299500 489601294 /nfs/dbraw/zinc/60/12/94/489601294.db2.gz NPMDKXACEMDMTR-HNNXBMFYSA-N 2 1 362.478 0.375 20 0 FCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555686881 491266157 /nfs/dbraw/zinc/26/61/57/491266157.db2.gz GIFIRVAITYKWFV-SFHVURJKSA-N 2 1 358.486 0.931 20 0 FCADMP CC(C)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000563742878 491266686 /nfs/dbraw/zinc/26/66/86/491266686.db2.gz IAFJCNPVFPEDQC-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000563742878 491266689 /nfs/dbraw/zinc/26/66/89/491266689.db2.gz IAFJCNPVFPEDQC-QGZVFWFLSA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570818204 491266809 /nfs/dbraw/zinc/26/68/09/491266809.db2.gz OSASPPINGGPWLC-SJLPKXTDSA-N 2 1 372.473 0.646 20 0 FCADMP CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570818204 491266811 /nfs/dbraw/zinc/26/68/11/491266811.db2.gz OSASPPINGGPWLC-SJLPKXTDSA-N 2 1 372.473 0.646 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038369 489634377 /nfs/dbraw/zinc/63/43/77/489634377.db2.gz YBPFHQHMYSOYEM-RHSMWYFYSA-N 2 1 353.488 1.000 20 0 FCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038369 489634378 /nfs/dbraw/zinc/63/43/78/489634378.db2.gz YBPFHQHMYSOYEM-RHSMWYFYSA-N 2 1 353.488 1.000 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963721 489636723 /nfs/dbraw/zinc/63/67/23/489636723.db2.gz ZXQJHMWFRGVJPD-INIZCTEOSA-N 2 1 361.494 0.382 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270340 489646249 /nfs/dbraw/zinc/64/62/49/489646249.db2.gz NPVRSZBWKFOLRS-MAUKXSAKSA-N 2 1 362.474 0.695 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)CCO1 ZINC000417270340 489646250 /nfs/dbraw/zinc/64/62/50/489646250.db2.gz NPVRSZBWKFOLRS-MAUKXSAKSA-N 2 1 362.474 0.695 20 0 FCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417363219 489649905 /nfs/dbraw/zinc/64/99/05/489649905.db2.gz AQOCGIXXVXVNEG-ROUUACIJSA-N 2 1 372.517 0.845 20 0 FCADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600171 489650611 /nfs/dbraw/zinc/65/06/11/489650611.db2.gz MQFITHAQYHPZEG-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600171 489650613 /nfs/dbraw/zinc/65/06/13/489650613.db2.gz MQFITHAQYHPZEG-QZTJIDSGSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600174 489651071 /nfs/dbraw/zinc/65/10/71/489651071.db2.gz MQFITHAQYHPZEG-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC(C)C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCOCC1 ZINC000457600174 489651074 /nfs/dbraw/zinc/65/10/74/489651074.db2.gz MQFITHAQYHPZEG-ZWKOTPCHSA-N 2 1 370.538 0.879 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000417431872 489652390 /nfs/dbraw/zinc/65/23/90/489652390.db2.gz RVVOTXKRLKBIHI-QGZVFWFLSA-N 2 1 367.538 0.960 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417428358 489652622 /nfs/dbraw/zinc/65/26/22/489652622.db2.gz KUTIEIUCGZWVLI-XHSDSOJGSA-N 2 1 353.511 0.746 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417428356 489652950 /nfs/dbraw/zinc/65/29/50/489652950.db2.gz KUTIEIUCGZWVLI-OAGGEKHMSA-N 2 1 353.511 0.746 20 0 FCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457680157 489654098 /nfs/dbraw/zinc/65/40/98/489654098.db2.gz VLUKTSGWMCNAQQ-UHFFFAOYSA-N 2 1 366.550 0.757 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000555732377 491269192 /nfs/dbraw/zinc/26/91/92/491269192.db2.gz IKCILRQQMINNQP-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000555732377 491269195 /nfs/dbraw/zinc/26/91/95/491269195.db2.gz IKCILRQQMINNQP-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000555732377 491269196 /nfs/dbraw/zinc/26/91/96/491269196.db2.gz IKCILRQQMINNQP-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417461139 489655409 /nfs/dbraw/zinc/65/54/09/489655409.db2.gz KXWLTWPVGNWFQU-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)C1 ZINC000417543295 489657408 /nfs/dbraw/zinc/65/74/08/489657408.db2.gz FTENGLVHIQRRDD-ZWKOTPCHSA-N 2 1 373.501 0.920 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)C1 ZINC000417550569 489658457 /nfs/dbraw/zinc/65/84/57/489658457.db2.gz VSRBCOGUMCFPLP-QZTJIDSGSA-N 2 1 373.501 0.920 20 0 FCADMP CC(C)(C[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000417550932 489658552 /nfs/dbraw/zinc/65/85/52/489658552.db2.gz XTCAPHHLCZZETE-INIZCTEOSA-N 2 1 361.490 0.920 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417579602 489659112 /nfs/dbraw/zinc/65/91/12/489659112.db2.gz BAODMCFSAVIWJG-NUJGCVRESA-N 2 1 365.522 0.807 20 0 FCADMP CC1(C)C[N@H+](C2(CNC(=O)N(CC[NH3+])CCO)CCCCC2)CCO1 ZINC000417589758 489659597 /nfs/dbraw/zinc/65/95/97/489659597.db2.gz WDLRNYNVFDIHBG-UHFFFAOYSA-N 2 1 356.511 0.763 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417606184 489659786 /nfs/dbraw/zinc/65/97/86/489659786.db2.gz DCXOKZPZQBPOKV-WBVHZDCISA-N 2 1 353.511 0.664 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417667848 489660853 /nfs/dbraw/zinc/66/08/53/489660853.db2.gz HQMGUJOLRBJSRC-ZWKOTPCHSA-N 2 1 369.554 0.718 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000417742803 489664023 /nfs/dbraw/zinc/66/40/23/489664023.db2.gz KSDXJNLJFKVTNN-BRWVUGGUSA-N 2 1 360.506 0.971 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000373129202 489671133 /nfs/dbraw/zinc/67/11/33/489671133.db2.gz YCRKIVLWOQMMPA-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000373129202 489671137 /nfs/dbraw/zinc/67/11/37/489671137.db2.gz YCRKIVLWOQMMPA-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000418067975 489677323 /nfs/dbraw/zinc/67/73/23/489677323.db2.gz CONHRLGJFIOEHY-QZTJIDSGSA-N 2 1 362.474 0.647 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000555747198 491270651 /nfs/dbraw/zinc/27/06/51/491270651.db2.gz SJYJHIZACJTFTI-QGZVFWFLSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000458437154 489683737 /nfs/dbraw/zinc/68/37/37/489683737.db2.gz RVJKLZFWOXYEKV-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448335 489684449 /nfs/dbraw/zinc/68/44/49/489684449.db2.gz XTYFKDQGVSEHDB-QFBILLFUSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448335 489684450 /nfs/dbraw/zinc/68/44/50/489684450.db2.gz XTYFKDQGVSEHDB-QFBILLFUSA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448335 489684451 /nfs/dbraw/zinc/68/44/51/489684451.db2.gz XTYFKDQGVSEHDB-QFBILLFUSA-N 2 1 365.522 0.701 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418273691 489686961 /nfs/dbraw/zinc/68/69/61/489686961.db2.gz BXBJVVVYXKUZSS-ZIAGYGMSSA-N 2 1 365.444 0.854 20 0 FCADMP C[C@H](CCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000563836199 491272284 /nfs/dbraw/zinc/27/22/84/491272284.db2.gz NDUVYELWSUEIQR-INMHGKMJSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(F)(F)C[NH3+] ZINC000418519443 489703914 /nfs/dbraw/zinc/70/39/14/489703914.db2.gz BKMCGMJVSZDPFU-MRXNPFEDSA-N 2 1 356.417 0.859 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(F)(F)C[NH3+] ZINC000418519443 489703915 /nfs/dbraw/zinc/70/39/15/489703915.db2.gz BKMCGMJVSZDPFU-MRXNPFEDSA-N 2 1 356.417 0.859 20 0 FCADMP CN1C(=O)N[C@]2(CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1=O ZINC000563852407 491272579 /nfs/dbraw/zinc/27/25/79/491272579.db2.gz FPYZFXIMRLFOKU-IBGZPJMESA-N 2 1 358.442 0.645 20 0 FCADMP COCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCO[C@@H]1C ZINC000489406565 489710218 /nfs/dbraw/zinc/71/02/18/489710218.db2.gz QBRCVTMNNZVDRU-HZPDHXFCSA-N 2 1 357.495 0.339 20 0 FCADMP COCC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCO[C@H]1C ZINC000489406569 489710666 /nfs/dbraw/zinc/71/06/66/489710666.db2.gz QBRCVTMNNZVDRU-JKSUJKDBSA-N 2 1 357.495 0.339 20 0 FCADMP COCC1(CNC(=O)N2CC[NH+](CCOC(C)C)CC2)CC[NH2+]CC1 ZINC000418638127 489714360 /nfs/dbraw/zinc/71/43/60/489714360.db2.gz OHTKUDPMAYIFJE-UHFFFAOYSA-N 2 1 356.511 0.755 20 0 FCADMP CCN1C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000459046558 489716252 /nfs/dbraw/zinc/71/62/52/489716252.db2.gz LZABUOOIROAPBJ-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000375490735 489718147 /nfs/dbraw/zinc/71/81/47/489718147.db2.gz OGPIBMDHIDESEO-HUUCEWRRSA-N 2 1 364.494 1.069 20 0 FCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000375490735 489718150 /nfs/dbraw/zinc/71/81/50/489718150.db2.gz OGPIBMDHIDESEO-HUUCEWRRSA-N 2 1 364.494 1.069 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000563875247 491274049 /nfs/dbraw/zinc/27/40/49/491274049.db2.gz CITYYSXGSMVLOQ-GOSISDBHSA-N 2 1 373.501 0.679 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459257653 489723903 /nfs/dbraw/zinc/72/39/03/489723903.db2.gz JOTILYOLEXQNRW-KRWDZBQOSA-N 2 1 367.538 0.914 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875260 491274226 /nfs/dbraw/zinc/27/42/26/491274226.db2.gz DWZOAWTWKKEHBD-ZIAGYGMSSA-N 2 1 365.444 0.806 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418786730 489726845 /nfs/dbraw/zinc/72/68/45/489726845.db2.gz JFAHBSKQBLMLRA-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418786730 489726846 /nfs/dbraw/zinc/72/68/46/489726846.db2.gz JFAHBSKQBLMLRA-HZPDHXFCSA-N 2 1 353.511 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418810274 489733508 /nfs/dbraw/zinc/73/35/08/489733508.db2.gz HAFVNNLPNCBFEA-OXQOHEQNSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000555809374 491274711 /nfs/dbraw/zinc/27/47/11/491274711.db2.gz LBZFRTXBBXFCMS-ZJIFWQFVSA-N 2 1 368.522 0.589 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000555809374 491274713 /nfs/dbraw/zinc/27/47/13/491274713.db2.gz LBZFRTXBBXFCMS-ZJIFWQFVSA-N 2 1 368.522 0.589 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCSCC2)CC1=O ZINC000489987089 489739175 /nfs/dbraw/zinc/73/91/75/489739175.db2.gz GJXFNNNIXIVFPF-HZPDHXFCSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987089 489739180 /nfs/dbraw/zinc/73/91/80/489739180.db2.gz GJXFNNNIXIVFPF-HZPDHXFCSA-N 2 1 368.547 0.484 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000489987089 489739185 /nfs/dbraw/zinc/73/91/85/489739185.db2.gz GJXFNNNIXIVFPF-HZPDHXFCSA-N 2 1 368.547 0.484 20 0 FCADMP CN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000418831050 489744166 /nfs/dbraw/zinc/74/41/66/489744166.db2.gz KFBZDFCSKBKPBD-UHFFFAOYSA-N 2 1 366.506 0.348 20 0 FCADMP [NH3+]CCCOC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000430547601 489745001 /nfs/dbraw/zinc/74/50/01/489745001.db2.gz UTNZQRPTPWMAIG-MRXNPFEDSA-N 2 1 363.458 0.772 20 0 FCADMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000430566469 489747538 /nfs/dbraw/zinc/74/75/38/489747538.db2.gz BWRRYUFOWNYEJE-GOSISDBHSA-N 2 1 362.474 0.420 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000430598082 489748997 /nfs/dbraw/zinc/74/89/97/489748997.db2.gz BQECWCUNDGQEIR-CQSZACIVSA-N 2 1 362.478 0.724 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000430598082 489749001 /nfs/dbraw/zinc/74/90/01/489749001.db2.gz BQECWCUNDGQEIR-CQSZACIVSA-N 2 1 362.478 0.724 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418839024 489749309 /nfs/dbraw/zinc/74/93/09/489749309.db2.gz WLHYTOIOHUBGMS-UHFFFAOYSA-N 2 1 354.495 0.206 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537035 489750506 /nfs/dbraw/zinc/75/05/06/489750506.db2.gz AZWVNLJPVYYSHP-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCOCC1 ZINC000376537035 489750511 /nfs/dbraw/zinc/75/05/11/489750511.db2.gz AZWVNLJPVYYSHP-MSOLQXFVSA-N 2 1 352.523 0.630 20 0 FCADMP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600323 489750662 /nfs/dbraw/zinc/75/06/62/489750662.db2.gz HLVXVYYIGDZFCE-DZGCQCFKSA-N 2 1 364.515 0.808 20 0 FCADMP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600976 489751148 /nfs/dbraw/zinc/75/11/48/489751148.db2.gz CCRPOBBPAWPBHS-MRXNPFEDSA-N 2 1 364.465 0.961 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430603902 489751229 /nfs/dbraw/zinc/75/12/29/489751229.db2.gz OGRUTVNONLVRGG-CYBMUJFWSA-N 2 1 362.430 0.183 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430603902 489751233 /nfs/dbraw/zinc/75/12/33/489751233.db2.gz OGRUTVNONLVRGG-CYBMUJFWSA-N 2 1 362.430 0.183 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000430606374 489751872 /nfs/dbraw/zinc/75/18/72/489751872.db2.gz VHKACMSEOPQCFB-AWEZNQCLSA-N 2 1 352.866 0.743 20 0 FCADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611592 489753207 /nfs/dbraw/zinc/75/32/07/489753207.db2.gz ORIQBFJAIGPHCK-HOCLYGCPSA-N 2 1 362.474 0.487 20 0 FCADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611593 489753213 /nfs/dbraw/zinc/75/32/13/489753213.db2.gz ORIQBFJAIGPHCK-ZBFHGGJFSA-N 2 1 362.474 0.487 20 0 FCADMP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611683 489753936 /nfs/dbraw/zinc/75/39/36/489753936.db2.gz PMWUFERAYNJDJI-OAHLLOKOSA-N 2 1 350.438 0.571 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000418848961 489755636 /nfs/dbraw/zinc/75/56/36/489755636.db2.gz MASKDMBCOUCXPS-BMFZPTHFSA-N 2 1 362.474 0.528 20 0 FCADMP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624444 489756524 /nfs/dbraw/zinc/75/65/24/489756524.db2.gz IGFDENHEMNDRAB-DZGCQCFKSA-N 2 1 350.438 0.617 20 0 FCADMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620862 489756555 /nfs/dbraw/zinc/75/65/55/489756555.db2.gz IKIQKWQGZQREMQ-GDBMZVCRSA-N 2 1 364.465 0.960 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC000430624611 489756750 /nfs/dbraw/zinc/75/67/50/489756750.db2.gz JEDJKPPLICWYAI-KRWDZBQOSA-N 2 1 350.507 0.827 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000418853187 489757717 /nfs/dbraw/zinc/75/77/17/489757717.db2.gz RTRJWUCKHXVDBD-KBMXLJTQSA-N 2 1 362.474 0.671 20 0 FCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632626 489758949 /nfs/dbraw/zinc/75/89/49/489758949.db2.gz YEHPZHSWYWTDQP-KGLIPLIRSA-N 2 1 367.494 0.320 20 0 FCADMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640869 489759819 /nfs/dbraw/zinc/75/98/19/489759819.db2.gz LEKSPNGQIGSQQF-MSOLQXFVSA-N 2 1 358.486 0.960 20 0 FCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637536 489760341 /nfs/dbraw/zinc/76/03/41/489760341.db2.gz BKYAADPERPVDMT-INIZCTEOSA-N 2 1 362.474 0.441 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642599 489760372 /nfs/dbraw/zinc/76/03/72/489760372.db2.gz PDODYLLEFNNRMM-KGLIPLIRSA-N 2 1 350.467 0.151 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642599 489760376 /nfs/dbraw/zinc/76/03/76/489760376.db2.gz PDODYLLEFNNRMM-KGLIPLIRSA-N 2 1 350.467 0.151 20 0 FCADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1)N1CC[NH2+]CC1 ZINC000430639902 489761029 /nfs/dbraw/zinc/76/10/29/489761029.db2.gz GQISOFGAVCGJGY-OAHLLOKOSA-N 2 1 355.442 0.338 20 0 FCADMP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643223 489762001 /nfs/dbraw/zinc/76/20/01/489762001.db2.gz QRKFOFQXRPRCEB-SFHVURJKSA-N 2 1 360.502 0.994 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430647521 489762314 /nfs/dbraw/zinc/76/23/14/489762314.db2.gz YDDCGLSATCMRJK-CQSZACIVSA-N 2 1 366.437 0.108 20 0 FCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430657376 489763008 /nfs/dbraw/zinc/76/30/08/489763008.db2.gz VTHSNLQRPOZYRE-CQSZACIVSA-N 2 1 374.441 0.498 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430657376 489763011 /nfs/dbraw/zinc/76/30/11/489763011.db2.gz VTHSNLQRPOZYRE-CQSZACIVSA-N 2 1 374.441 0.498 20 0 FCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430663462 489763550 /nfs/dbraw/zinc/76/35/50/489763550.db2.gz JRPXROVLBJGORW-KGLIPLIRSA-N 2 1 367.494 0.143 20 0 FCADMP CC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418865894 489764393 /nfs/dbraw/zinc/76/43/93/489764393.db2.gz SHVNISVNDCLXRT-QGZVFWFLSA-N 2 1 358.486 0.883 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472354 489764652 /nfs/dbraw/zinc/76/46/52/489764652.db2.gz NVBPVBXDCHMXOA-DLBZAZTESA-N 2 1 353.511 0.665 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@@H]3C[NH2+]CCO3)CC2)oc1C ZINC000430712354 489766568 /nfs/dbraw/zinc/76/65/68/489766568.db2.gz YZLKNKKYFORVJD-MRXNPFEDSA-N 2 1 350.463 0.998 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418871279 489768047 /nfs/dbraw/zinc/76/80/47/489768047.db2.gz VEQWAZLLLBEMKU-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418876040 489769706 /nfs/dbraw/zinc/76/97/06/489769706.db2.gz FRQJNRWWDZVTHZ-ZWKOTPCHSA-N 2 1 374.485 0.944 20 0 FCADMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NCCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418876040 489769709 /nfs/dbraw/zinc/76/97/09/489769709.db2.gz FRQJNRWWDZVTHZ-ZWKOTPCHSA-N 2 1 374.485 0.944 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000418881848 489773244 /nfs/dbraw/zinc/77/32/44/489773244.db2.gz RQWXKIORBNLARC-MRXNPFEDSA-N 2 1 368.522 0.452 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418883350 489774270 /nfs/dbraw/zinc/77/42/70/489774270.db2.gz UZSHUKHEUVYPOY-QZTJIDSGSA-N 2 1 374.485 0.080 20 0 FCADMP C[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H]1C[NH3+] ZINC000418885237 489774929 /nfs/dbraw/zinc/77/49/29/489774929.db2.gz YGJMYFGWTVGNRG-ARFHVFGLSA-N 2 1 354.495 0.189 20 0 FCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H](C[NH3+])c3ccccc3)cn2)CC1 ZINC000430914014 489776210 /nfs/dbraw/zinc/77/62/10/489776210.db2.gz HHMCZULMZIQTMO-QGZVFWFLSA-N 2 1 370.457 0.338 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000459914440 489789825 /nfs/dbraw/zinc/78/98/25/489789825.db2.gz YLHGFPMQRNUSGH-UHFFFAOYSA-N 2 1 368.522 0.356 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000459913550 489790342 /nfs/dbraw/zinc/79/03/42/489790342.db2.gz CSPXFCYOYXQZFH-KRWDZBQOSA-N 2 1 373.501 0.981 20 0 FCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459986242 489809257 /nfs/dbraw/zinc/80/92/57/489809257.db2.gz FVQCRNODQOKIAP-GOSISDBHSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459986242 489809260 /nfs/dbraw/zinc/80/92/60/489809260.db2.gz FVQCRNODQOKIAP-GOSISDBHSA-N 2 1 362.518 0.731 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000491837684 489812536 /nfs/dbraw/zinc/81/25/36/489812536.db2.gz MZXZZZQXPSLAMD-UHFFFAOYSA-N 2 1 374.489 0.514 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000460001571 489815435 /nfs/dbraw/zinc/81/54/35/489815435.db2.gz YZUURTCLRYSDEY-IRXDYDNUSA-N 2 1 350.507 0.731 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(C[NH+](C)C)CC3)CC2)c1 ZINC000460009265 489816769 /nfs/dbraw/zinc/81/67/69/489816769.db2.gz NSAFLNXHPUDLQX-UHFFFAOYSA-N 2 1 373.501 0.839 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419021346 489820863 /nfs/dbraw/zinc/82/08/63/489820863.db2.gz GXXSTLIRLUWJHH-FZKCQIBNSA-N 2 1 354.495 0.045 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)CC2)c1 ZINC000460020604 489821022 /nfs/dbraw/zinc/82/10/22/489821022.db2.gz ZIWMWFIKXLDSLF-UHFFFAOYSA-N 2 1 373.501 0.981 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419023160 489821573 /nfs/dbraw/zinc/82/15/73/489821573.db2.gz JFJVFYPTBLZTRB-NNXHMXCWSA-N 2 1 352.523 0.973 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000460023738 489822006 /nfs/dbraw/zinc/82/20/06/489822006.db2.gz RYNUAIUGRCSVOR-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000460023738 489822010 /nfs/dbraw/zinc/82/20/10/489822010.db2.gz RYNUAIUGRCSVOR-DLBZAZTESA-N 2 1 350.507 0.872 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000419027287 489823791 /nfs/dbraw/zinc/82/37/91/489823791.db2.gz OIUMDPDXZDWRKQ-XHSDSOJGSA-N 2 1 352.523 0.927 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000419030273 489825060 /nfs/dbraw/zinc/82/50/60/489825060.db2.gz SXUHYKIVSWITJX-PBHICJAKSA-N 2 1 371.416 0.756 20 0 FCADMP C[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)N1CC[NH+](C)CC1 ZINC000492686258 489834789 /nfs/dbraw/zinc/83/47/89/489834789.db2.gz YMYHHYSQVYEVCY-GBESFXJTSA-N 2 1 365.566 0.639 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000419065493 489841836 /nfs/dbraw/zinc/84/18/36/489841836.db2.gz ADNLKHJANXOIBE-ROUUACIJSA-N 2 1 374.485 0.467 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419065391 489842052 /nfs/dbraw/zinc/84/20/52/489842052.db2.gz DHYADSMVFXAMIC-CRAIPNDOSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419065391 489842057 /nfs/dbraw/zinc/84/20/57/489842057.db2.gz DHYADSMVFXAMIC-CRAIPNDOSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419071464 489845133 /nfs/dbraw/zinc/84/51/33/489845133.db2.gz LIKDFXFQBVTFGJ-CABCVRRESA-N 2 1 362.474 0.377 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419071464 489845137 /nfs/dbraw/zinc/84/51/37/489845137.db2.gz LIKDFXFQBVTFGJ-CABCVRRESA-N 2 1 362.474 0.377 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419087295 489851747 /nfs/dbraw/zinc/85/17/47/489851747.db2.gz PFAHMJPKGFGZCL-KKUMJFAQSA-N 2 1 354.495 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419089258 489852153 /nfs/dbraw/zinc/85/21/53/489852153.db2.gz SUOKUGMYBVQXCZ-ZNMIVQPWSA-N 2 1 354.495 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419089258 489852155 /nfs/dbraw/zinc/85/21/55/489852155.db2.gz SUOKUGMYBVQXCZ-ZNMIVQPWSA-N 2 1 354.495 0.106 20 0 FCADMP CCC(CC)[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000460233998 489857078 /nfs/dbraw/zinc/85/70/78/489857078.db2.gz DVCVTJHLIIJUJZ-WMZOPIPTSA-N 2 1 356.511 0.489 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000460234335 489857344 /nfs/dbraw/zinc/85/73/44/489857344.db2.gz WZQYDTVHAUYMGH-MJGOQNOKSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000460234335 489857346 /nfs/dbraw/zinc/85/73/46/489857346.db2.gz WZQYDTVHAUYMGH-MJGOQNOKSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000460234335 489857347 /nfs/dbraw/zinc/85/73/47/489857347.db2.gz WZQYDTVHAUYMGH-MJGOQNOKSA-N 2 1 362.474 0.119 20 0 FCADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000460251341 489858125 /nfs/dbraw/zinc/85/81/25/489858125.db2.gz CRCAGWTUWAZCKO-SFHVURJKSA-N 2 1 350.463 0.493 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419110543 489858652 /nfs/dbraw/zinc/85/86/52/489858652.db2.gz CAFQPXOCYLPKSI-UAGQMJEPSA-N 2 1 368.522 0.496 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000419111069 489859876 /nfs/dbraw/zinc/85/98/76/489859876.db2.gz ZUMDDTDGHRVQOT-UHFFFAOYSA-N 2 1 361.490 1.156 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419112502 489860016 /nfs/dbraw/zinc/86/00/16/489860016.db2.gz FYIJIVMIBPRSLW-VQIMIIECSA-N 2 1 368.522 0.437 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119843 489864372 /nfs/dbraw/zinc/86/43/72/489864372.db2.gz PLEDHHODYVVYKY-NVXWUHKLSA-N 2 1 368.522 0.355 20 0 FCADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433136810 489867481 /nfs/dbraw/zinc/86/74/81/489867481.db2.gz NBHOLVVNXZHKSO-INIZCTEOSA-N 2 1 354.539 0.741 20 0 FCADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433336342 489876181 /nfs/dbraw/zinc/87/61/81/489876181.db2.gz PEUONBILSQUFFT-MRXNPFEDSA-N 2 1 356.511 0.897 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433334979 489876371 /nfs/dbraw/zinc/87/63/71/489876371.db2.gz JQIIVYMRRSPVPL-DLBZAZTESA-N 2 1 355.527 0.422 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CCCO1 ZINC000433339313 489877170 /nfs/dbraw/zinc/87/71/70/489877170.db2.gz ZPZBIIDAPVQQKG-INIZCTEOSA-N 2 1 356.511 0.897 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419999761 489877429 /nfs/dbraw/zinc/87/74/29/489877429.db2.gz SLNSXGBHVLAJEE-RDJZCZTQSA-N 2 1 361.490 0.748 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420005217 489879076 /nfs/dbraw/zinc/87/90/76/489879076.db2.gz WFHRBDOGPROCJG-INIZCTEOSA-N 2 1 359.474 0.545 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433372609 489879725 /nfs/dbraw/zinc/87/97/25/489879725.db2.gz AVIKIOVIROFZGV-INIZCTEOSA-N 2 1 363.510 0.206 20 0 FCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420013189 489880710 /nfs/dbraw/zinc/88/07/10/489880710.db2.gz IYMOQFVNPROSAE-HOTGVXAUSA-N 2 1 361.490 0.835 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020270 489883471 /nfs/dbraw/zinc/88/34/71/489883471.db2.gz FBRGOAMOFKOWJA-CGTJXYLNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461225 489886600 /nfs/dbraw/zinc/88/66/00/489886600.db2.gz DHPKXOKOAWMERS-CVEARBPZSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461225 489886603 /nfs/dbraw/zinc/88/66/03/489886603.db2.gz DHPKXOKOAWMERS-CVEARBPZSA-N 2 1 369.510 0.126 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCO1 ZINC000433461225 489886607 /nfs/dbraw/zinc/88/66/07/489886607.db2.gz DHPKXOKOAWMERS-CVEARBPZSA-N 2 1 369.510 0.126 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420033490 489887967 /nfs/dbraw/zinc/88/79/67/489887967.db2.gz BFCQXHDEUPHJFJ-UHFFFAOYSA-N 2 1 368.522 0.330 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420041753 489890948 /nfs/dbraw/zinc/89/09/48/489890948.db2.gz QAQFBXOOZLTSKW-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000420041753 489890951 /nfs/dbraw/zinc/89/09/51/489890951.db2.gz QAQFBXOOZLTSKW-QZTJIDSGSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000420051363 489894563 /nfs/dbraw/zinc/89/45/63/489894563.db2.gz DWHKTLUEOWXPNA-VYDXJSESSA-N 2 1 366.506 0.332 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)[C@H]2C1 ZINC000420064804 489899869 /nfs/dbraw/zinc/89/98/69/489899869.db2.gz WOIGORCWRNKQPA-RDJZCZTQSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420075459 489904784 /nfs/dbraw/zinc/90/47/84/489904784.db2.gz SMRVJANHNWNPQF-RDJZCZTQSA-N 2 1 350.507 0.810 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433925903 489904848 /nfs/dbraw/zinc/90/48/48/489904848.db2.gz XCHOGXDGURPJEP-JKSUJKDBSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433925903 489904851 /nfs/dbraw/zinc/90/48/51/489904851.db2.gz XCHOGXDGURPJEP-JKSUJKDBSA-N 2 1 351.495 0.642 20 0 FCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433925903 489904853 /nfs/dbraw/zinc/90/48/53/489904853.db2.gz XCHOGXDGURPJEP-JKSUJKDBSA-N 2 1 351.495 0.642 20 0 FCADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000461387885 489907256 /nfs/dbraw/zinc/90/72/56/489907256.db2.gz SYTWFLOAQFOUSX-WOJBJXKFSA-N 2 1 364.486 0.853 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000377576795 489924281 /nfs/dbraw/zinc/92/42/81/489924281.db2.gz GFNBHXZDOODTID-DLBZAZTESA-N 2 1 354.495 0.650 20 0 FCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377588081 489927744 /nfs/dbraw/zinc/92/77/44/489927744.db2.gz NQJIODXSZUCZDG-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377588081 489927746 /nfs/dbraw/zinc/92/77/46/489927746.db2.gz NQJIODXSZUCZDG-UXHICEINSA-N 2 1 372.513 0.784 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420151721 489932415 /nfs/dbraw/zinc/93/24/15/489932415.db2.gz NRCGPHFLUJNVGV-UHFFFAOYSA-N 2 1 360.449 0.811 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000477030825 489933239 /nfs/dbraw/zinc/93/32/39/489933239.db2.gz GAFVYBQPUHGGBV-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000477030825 489933242 /nfs/dbraw/zinc/93/32/42/489933242.db2.gz GAFVYBQPUHGGBV-LSDHHAIUSA-N 2 1 356.511 0.137 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420157579 489935099 /nfs/dbraw/zinc/93/50/99/489935099.db2.gz PFJMARZUKFXJPE-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420157579 489935101 /nfs/dbraw/zinc/93/51/01/489935101.db2.gz PFJMARZUKFXJPE-WCVJEAGWSA-N 2 1 354.495 0.201 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420169573 489938736 /nfs/dbraw/zinc/93/87/36/489938736.db2.gz RKLGXCDXKQHEIY-XHSDSOJGSA-N 2 1 350.507 0.824 20 0 FCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000477067973 489938801 /nfs/dbraw/zinc/93/88/01/489938801.db2.gz PJGHVZCBRUCCQJ-CVEARBPZSA-N 2 1 356.511 0.450 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000477069432 489938974 /nfs/dbraw/zinc/93/89/74/489938974.db2.gz QYYLITJHDUJRRM-JKSUJKDBSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420174805 489940450 /nfs/dbraw/zinc/94/04/50/489940450.db2.gz ZFTKWSRWWKEQEX-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420174805 489940453 /nfs/dbraw/zinc/94/04/53/489940453.db2.gz ZFTKWSRWWKEQEX-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000462011841 489950038 /nfs/dbraw/zinc/95/00/38/489950038.db2.gz RTOPFNLJJLYKHY-INIZCTEOSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000462011841 489950042 /nfs/dbraw/zinc/95/00/42/489950042.db2.gz RTOPFNLJJLYKHY-INIZCTEOSA-N 2 1 367.538 0.911 20 0 FCADMP CC(C[NH+](C)[C@@H](C)CN1CCOCC1)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713776 489950761 /nfs/dbraw/zinc/95/07/61/489950761.db2.gz KHBXVDOUWYMFOY-PMACEKPBSA-N 2 1 370.582 0.928 20 0 FCADMP COCC[NH+]1CCC([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000462035280 489951889 /nfs/dbraw/zinc/95/18/89/489951889.db2.gz HWVIDDAFXUVGLB-LJQANCHMSA-N 2 1 360.458 0.942 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000420212198 489953781 /nfs/dbraw/zinc/95/37/81/489953781.db2.gz TWNCYCMRAPRVRS-ARFHVFGLSA-N 2 1 354.495 0.189 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000420212198 489953784 /nfs/dbraw/zinc/95/37/84/489953784.db2.gz TWNCYCMRAPRVRS-ARFHVFGLSA-N 2 1 354.495 0.189 20 0 FCADMP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420294018 489960408 /nfs/dbraw/zinc/96/04/08/489960408.db2.gz OBPAPEREEPIAIX-ZDUSSCGKSA-N 2 1 362.430 0.199 20 0 FCADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420294018 489960414 /nfs/dbraw/zinc/96/04/14/489960414.db2.gz OBPAPEREEPIAIX-ZDUSSCGKSA-N 2 1 362.430 0.199 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420319766 489962693 /nfs/dbraw/zinc/96/26/93/489962693.db2.gz SCULWIKRPWANDL-CQSZACIVSA-N 2 1 363.462 0.857 20 0 FCADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000420316892 489962751 /nfs/dbraw/zinc/96/27/51/489962751.db2.gz YSWGUSSXEQCKFV-MRXNPFEDSA-N 2 1 361.442 0.748 20 0 FCADMP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338063 489964791 /nfs/dbraw/zinc/96/47/91/489964791.db2.gz OLGLTBJQROUGEU-OAHLLOKOSA-N 2 1 363.462 0.999 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380421 489969703 /nfs/dbraw/zinc/96/97/03/489969703.db2.gz OCUWLXOAMMHFNV-CRAIPNDOSA-N 2 1 354.495 0.189 20 0 FCADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412581 489973382 /nfs/dbraw/zinc/97/33/82/489973382.db2.gz YVOMOQFNOGTNPR-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420412581 489973384 /nfs/dbraw/zinc/97/33/84/489973384.db2.gz YVOMOQFNOGTNPR-IRXDYDNUSA-N 2 1 365.522 0.855 20 0 FCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556076670 491292269 /nfs/dbraw/zinc/29/22/69/491292269.db2.gz SUWOHAHNAKTLDO-KRWDZBQOSA-N 2 1 371.485 0.515 20 0 FCADMP CSC1(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC[NH+](C)CC1 ZINC000462505855 489978859 /nfs/dbraw/zinc/97/88/59/489978859.db2.gz CWCGKIFYKBEJRH-LSDHHAIUSA-N 2 1 358.552 0.910 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000436491908 490007773 /nfs/dbraw/zinc/00/77/73/490007773.db2.gz XMRXNWVUKYYUHT-OAHLLOKOSA-N 2 1 350.467 0.631 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000478247770 490011588 /nfs/dbraw/zinc/01/15/88/490011588.db2.gz BZQZXZJJPOSQBH-IBGZPJMESA-N 2 1 360.502 0.689 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478401487 490017871 /nfs/dbraw/zinc/01/78/71/490017871.db2.gz DDYCKJFSDLRNOS-UHFFFAOYSA-N 2 1 353.511 0.572 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000420840085 490025219 /nfs/dbraw/zinc/02/52/19/490025219.db2.gz NXQWBMNEWPSOOK-MSOLQXFVSA-N 2 1 360.502 0.828 20 0 FCADMP O=C(NCCc1nccn1Cc1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000479072641 490064908 /nfs/dbraw/zinc/06/49/08/490064908.db2.gz VIWDGMQSQIBYNG-SFHVURJKSA-N 2 1 353.470 0.980 20 0 FCADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061399 490066150 /nfs/dbraw/zinc/06/61/50/490066150.db2.gz ROELBQQQTDYZMM-QWHCGFSZSA-N 2 1 354.476 0.722 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000443355403 490070319 /nfs/dbraw/zinc/07/03/19/490070319.db2.gz APUFMHUHSIPVIU-ZBFHGGJFSA-N 2 1 370.457 1.537 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000443355400 490070795 /nfs/dbraw/zinc/07/07/95/490070795.db2.gz APUFMHUHSIPVIU-GOEBONIOSA-N 2 1 370.457 1.537 20 0 FCADMP COCCN1C(=O)C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000465036211 490076063 /nfs/dbraw/zinc/07/60/63/490076063.db2.gz WZINBQATLUULEG-MRXNPFEDSA-N 2 1 353.463 0.337 20 0 FCADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC000444273464 490079937 /nfs/dbraw/zinc/07/99/37/490079937.db2.gz PLXPZXRXIHWSKM-KBXCAEBGSA-N 2 1 354.495 0.141 20 0 FCADMP CCN1CC[NH+](CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000532672973 490094260 /nfs/dbraw/zinc/09/42/60/490094260.db2.gz BMEMFSPZFHJIBP-RBUKOAKNSA-N 2 1 366.550 0.898 20 0 FCADMP CC(=O)N1CCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000532740658 490104043 /nfs/dbraw/zinc/10/40/43/490104043.db2.gz ZNVPDYPZHIYJCZ-UHFFFAOYSA-N 2 1 364.515 0.947 20 0 FCADMP CC(=O)N1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000532740658 490104052 /nfs/dbraw/zinc/10/40/52/490104052.db2.gz ZNVPDYPZHIYJCZ-UHFFFAOYSA-N 2 1 364.515 0.947 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000496829996 490127880 /nfs/dbraw/zinc/12/78/80/490127880.db2.gz IBLSCWUCJJGZKE-HZPDHXFCSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000496829996 490127886 /nfs/dbraw/zinc/12/78/86/490127886.db2.gz IBLSCWUCJJGZKE-HZPDHXFCSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000496829996 490127890 /nfs/dbraw/zinc/12/78/90/490127890.db2.gz IBLSCWUCJJGZKE-HZPDHXFCSA-N 2 1 355.479 0.583 20 0 FCADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000496829996 490127894 /nfs/dbraw/zinc/12/78/94/490127894.db2.gz IBLSCWUCJJGZKE-HZPDHXFCSA-N 2 1 355.479 0.583 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382756947 490128223 /nfs/dbraw/zinc/12/82/23/490128223.db2.gz PUDNPPUZROWLPQ-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382756947 490128231 /nfs/dbraw/zinc/12/82/31/490128231.db2.gz PUDNPPUZROWLPQ-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC000497035020 490135347 /nfs/dbraw/zinc/13/53/47/490135347.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 2 1 358.552 0.730 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@H+](C)CCC ZINC000497035020 490135351 /nfs/dbraw/zinc/13/53/51/490135351.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 2 1 358.552 0.730 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@@H+](C)CCC ZINC000497035020 490135355 /nfs/dbraw/zinc/13/53/55/490135355.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 2 1 358.552 0.730 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1CCC[NH2+]CC1 ZINC000390956835 490139346 /nfs/dbraw/zinc/13/93/46/490139346.db2.gz VRRVJKRQVYDSNK-GOSISDBHSA-N 2 1 374.485 0.216 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465868920 490148600 /nfs/dbraw/zinc/14/86/00/490148600.db2.gz GTLLAQUBNCETAT-INIZCTEOSA-N 2 1 353.511 0.713 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465951175 490155752 /nfs/dbraw/zinc/15/57/52/490155752.db2.gz NNXHSORTWCHDCR-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466033512 490160353 /nfs/dbraw/zinc/16/03/53/490160353.db2.gz LDWJCNNWGCVCLO-HZPDHXFCSA-N 2 1 353.511 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000398012273 490166313 /nfs/dbraw/zinc/16/63/13/490166313.db2.gz UDVWRPDELLQQBF-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000497489752 490168075 /nfs/dbraw/zinc/16/80/75/490168075.db2.gz RBINGPXBMNNSTP-IBGZPJMESA-N 2 1 363.550 0.393 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000497489752 490168079 /nfs/dbraw/zinc/16/80/79/490168079.db2.gz RBINGPXBMNNSTP-IBGZPJMESA-N 2 1 363.550 0.393 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000497489752 490168082 /nfs/dbraw/zinc/16/80/82/490168082.db2.gz RBINGPXBMNNSTP-IBGZPJMESA-N 2 1 363.550 0.393 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608412 490170036 /nfs/dbraw/zinc/17/00/36/490170036.db2.gz XZZAEKKVRASREZ-WOJBJXKFSA-N 2 1 359.470 0.196 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422121156 490174373 /nfs/dbraw/zinc/17/43/73/490174373.db2.gz QVDYEAIKIWYWBC-DOTOQJQBSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422121156 490174378 /nfs/dbraw/zinc/17/43/78/490174378.db2.gz QVDYEAIKIWYWBC-DOTOQJQBSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422121156 490174383 /nfs/dbraw/zinc/17/43/83/490174383.db2.gz QVDYEAIKIWYWBC-DOTOQJQBSA-N 2 1 366.506 0.251 20 0 FCADMP C[NH+](C)CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H]1CCCO1 ZINC000520660225 490175289 /nfs/dbraw/zinc/17/52/89/490175289.db2.gz JYYXMLTWLBLROH-SFHVURJKSA-N 2 1 362.522 0.771 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000507134566 490181144 /nfs/dbraw/zinc/18/11/44/490181144.db2.gz HHIOUXMVYUNVLG-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000507134566 490181152 /nfs/dbraw/zinc/18/11/52/490181152.db2.gz HHIOUXMVYUNVLG-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000507134566 490181158 /nfs/dbraw/zinc/18/11/58/490181158.db2.gz HHIOUXMVYUNVLG-CVEARBPZSA-N 2 1 353.511 0.746 20 0 FCADMP C[C@](O)(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000447045693 490184880 /nfs/dbraw/zinc/18/48/80/490184880.db2.gz CIPFOQQAUHGDSE-SFHVURJKSA-N 2 1 354.495 0.243 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000556253987 491306125 /nfs/dbraw/zinc/30/61/25/491306125.db2.gz SPDGMDZTIIZXKG-KRWDZBQOSA-N 2 1 373.501 0.965 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000556253987 491306127 /nfs/dbraw/zinc/30/61/27/491306127.db2.gz SPDGMDZTIIZXKG-KRWDZBQOSA-N 2 1 373.501 0.965 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556249406 491306219 /nfs/dbraw/zinc/30/62/19/491306219.db2.gz ODLAJWYIJDAUNG-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556249406 491306221 /nfs/dbraw/zinc/30/62/21/491306221.db2.gz ODLAJWYIJDAUNG-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000571428366 491307607 /nfs/dbraw/zinc/30/76/07/491307607.db2.gz IBRKCMHRNWRQCF-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000571428366 491307609 /nfs/dbraw/zinc/30/76/09/491307609.db2.gz IBRKCMHRNWRQCF-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000571428366 491307611 /nfs/dbraw/zinc/30/76/11/491307611.db2.gz IBRKCMHRNWRQCF-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@@H](C[NH3+])OC)CC2 ZINC000447436742 490235496 /nfs/dbraw/zinc/23/54/96/490235496.db2.gz XKITXPFYMUJWCJ-HNNXBMFYSA-N 2 1 351.447 0.542 20 0 FCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@@H](C[NH3+])OC)CC2 ZINC000447436742 490235498 /nfs/dbraw/zinc/23/54/98/490235498.db2.gz XKITXPFYMUJWCJ-HNNXBMFYSA-N 2 1 351.447 0.542 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000422291848 490235699 /nfs/dbraw/zinc/23/56/99/490235699.db2.gz FMSHYZYQEVOHCW-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000422291848 490235703 /nfs/dbraw/zinc/23/57/03/490235703.db2.gz FMSHYZYQEVOHCW-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000422291848 490235707 /nfs/dbraw/zinc/23/57/07/490235707.db2.gz FMSHYZYQEVOHCW-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000521231481 490239317 /nfs/dbraw/zinc/23/93/17/490239317.db2.gz OJQFOTWZESBMSC-DOTOQJQBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCCC1 ZINC000556355202 491310701 /nfs/dbraw/zinc/31/07/01/491310701.db2.gz POJBVOHARGQIQI-WBVHZDCISA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000571521009 491312803 /nfs/dbraw/zinc/31/28/03/491312803.db2.gz PNRAAARIGVTBHI-FXAWDEMLSA-N 2 1 360.502 0.939 20 0 FCADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000533820035 490287894 /nfs/dbraw/zinc/28/78/94/490287894.db2.gz RDXWHRHLNGZHBG-SJORKVTESA-N 2 1 359.474 0.812 20 0 FCADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000533820035 490287897 /nfs/dbraw/zinc/28/78/97/490287897.db2.gz RDXWHRHLNGZHBG-SJORKVTESA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000533820035 490287899 /nfs/dbraw/zinc/28/78/99/490287899.db2.gz RDXWHRHLNGZHBG-SJORKVTESA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000533820035 490287902 /nfs/dbraw/zinc/28/79/02/490287902.db2.gz RDXWHRHLNGZHBG-SJORKVTESA-N 2 1 359.474 0.812 20 0 FCADMP C[NH+](C)C1CCN(CCNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000533982210 490307723 /nfs/dbraw/zinc/30/77/23/490307723.db2.gz PAZNFEMWQOHQBT-UHFFFAOYSA-N 2 1 368.570 0.339 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000498619657 490319086 /nfs/dbraw/zinc/31/90/86/490319086.db2.gz URAGNQIEAUUVKS-SJORKVTESA-N 2 1 370.538 0.972 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208251 490319920 /nfs/dbraw/zinc/31/99/20/490319920.db2.gz GFHMXHHJESTTPI-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208251 490319922 /nfs/dbraw/zinc/31/99/22/490319922.db2.gz GFHMXHHJESTTPI-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000448208251 490319924 /nfs/dbraw/zinc/31/99/24/490319924.db2.gz GFHMXHHJESTTPI-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP CC[C@@]1(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCC[NH2+]1 ZINC000467707772 490334056 /nfs/dbraw/zinc/33/40/56/490334056.db2.gz USFHBEGRLNILPH-MJGOQNOKSA-N 2 1 352.523 0.772 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000508501613 490334482 /nfs/dbraw/zinc/33/44/82/490334482.db2.gz CWAOJPKLSNMBQO-UHFFFAOYSA-N 2 1 367.538 0.027 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000408437195 490336477 /nfs/dbraw/zinc/33/64/77/490336477.db2.gz QNUYNQMZNNUTKQ-HOCLYGCPSA-N 2 1 353.511 0.521 20 0 FCADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000408437195 490336479 /nfs/dbraw/zinc/33/64/79/490336479.db2.gz QNUYNQMZNNUTKQ-HOCLYGCPSA-N 2 1 353.511 0.521 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484090 490350938 /nfs/dbraw/zinc/35/09/38/490350938.db2.gz BWIWKBXXKMHBSO-IRXDYDNUSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000498857789 490354552 /nfs/dbraw/zinc/35/45/52/490354552.db2.gz JOCJXJMZYTXJNX-KRWDZBQOSA-N 2 1 350.507 0.945 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000498857789 490354560 /nfs/dbraw/zinc/35/45/60/490354560.db2.gz JOCJXJMZYTXJNX-KRWDZBQOSA-N 2 1 350.507 0.945 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000498857789 490354563 /nfs/dbraw/zinc/35/45/63/490354563.db2.gz JOCJXJMZYTXJNX-KRWDZBQOSA-N 2 1 350.507 0.945 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC000409626143 490357310 /nfs/dbraw/zinc/35/73/10/490357310.db2.gz QNKWDFMMLDWUKX-IAGOWNOFSA-N 2 1 351.495 0.982 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000422493672 490359710 /nfs/dbraw/zinc/35/97/10/490359710.db2.gz YVVUJGFALXYQPF-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000484012327 490369345 /nfs/dbraw/zinc/36/93/45/490369345.db2.gz OYCMMZASCVPDLS-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953832 490371143 /nfs/dbraw/zinc/37/11/43/490371143.db2.gz DSRJYBNVGUKPLR-SJORKVTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953832 490371151 /nfs/dbraw/zinc/37/11/51/490371151.db2.gz DSRJYBNVGUKPLR-SJORKVTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000498953832 490371155 /nfs/dbraw/zinc/37/11/55/490371155.db2.gz DSRJYBNVGUKPLR-SJORKVTESA-N 2 1 350.507 0.943 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410876580 490373079 /nfs/dbraw/zinc/37/30/79/490373079.db2.gz KSMJQBIWZMBAGR-GOSISDBHSA-N 2 1 358.486 0.883 20 0 FCADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410880742 490374338 /nfs/dbraw/zinc/37/43/38/490374338.db2.gz AKHAVKAFWOAXGX-UHFFFAOYSA-N 2 1 370.538 0.602 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410992962 490376723 /nfs/dbraw/zinc/37/67/23/490376723.db2.gz XXKNIQSDSWWQGD-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccoc1CC(N)=O ZINC000509067302 490386671 /nfs/dbraw/zinc/38/66/71/490386671.db2.gz GEODSYJVEMYSQB-CQSZACIVSA-N 2 1 350.463 0.796 20 0 FCADMP C[C@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449123918 490402307 /nfs/dbraw/zinc/40/23/07/490402307.db2.gz DTKVUPXXCXLXBF-OAHLLOKOSA-N 2 1 367.515 0.947 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449339899 490409238 /nfs/dbraw/zinc/40/92/38/490409238.db2.gz LNHDOKXVHZPPTM-UZLBHIALSA-N 2 1 358.486 0.621 20 0 FCADMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449398013 490410691 /nfs/dbraw/zinc/41/06/91/490410691.db2.gz SLDDKGHZOOFIMO-XLIONFOSSA-N 2 1 356.470 0.341 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCO1 ZINC000499340574 490414894 /nfs/dbraw/zinc/41/48/94/490414894.db2.gz HBPZLAUQLGLQDC-HUUCEWRRSA-N 2 1 354.495 0.155 20 0 FCADMP CC1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](C)C2)[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000449849564 490432698 /nfs/dbraw/zinc/43/26/98/490432698.db2.gz NVIBVUDGTZUIQJ-BRSBDYLESA-N 2 1 364.534 0.689 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000535007801 490435721 /nfs/dbraw/zinc/43/57/21/490435721.db2.gz NMLIFYNPRMNPIL-CEXWTWQISA-N 2 1 363.550 0.393 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535007801 490435725 /nfs/dbraw/zinc/43/57/25/490435725.db2.gz NMLIFYNPRMNPIL-CEXWTWQISA-N 2 1 363.550 0.393 20 0 FCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000535007801 490435728 /nfs/dbraw/zinc/43/57/28/490435728.db2.gz NMLIFYNPRMNPIL-CEXWTWQISA-N 2 1 363.550 0.393 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422638685 490438628 /nfs/dbraw/zinc/43/86/28/490438628.db2.gz QXEDYZSSDLJVTG-MGPQQGTHSA-N 2 1 362.478 0.129 20 0 FCADMP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535097784 490456203 /nfs/dbraw/zinc/45/62/03/490456203.db2.gz YFNBQJMJSNAZIP-JKSUJKDBSA-N 2 1 359.536 0.827 20 0 FCADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000509769643 490462616 /nfs/dbraw/zinc/46/26/16/490462616.db2.gz FOAGUNUHNFXKDH-HNNXBMFYSA-N 2 1 362.474 0.566 20 0 FCADMP O=C(CSCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000535262621 490470930 /nfs/dbraw/zinc/47/09/30/490470930.db2.gz OEWISZZRRIVVKO-KBPBESRZSA-N 2 1 366.531 0.425 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484908922 490477216 /nfs/dbraw/zinc/47/72/16/490477216.db2.gz RXRWGAPRSBGDKH-STQMWFEESA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484908922 490477215 /nfs/dbraw/zinc/47/72/15/490477215.db2.gz RXRWGAPRSBGDKH-STQMWFEESA-N 2 1 351.447 0.998 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941685 490480152 /nfs/dbraw/zinc/48/01/52/490480152.db2.gz YEABOIWQMLRWIP-ABHRYQDASA-N 2 1 368.503 0.569 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000484941685 490480159 /nfs/dbraw/zinc/48/01/59/490480159.db2.gz YEABOIWQMLRWIP-ABHRYQDASA-N 2 1 368.503 0.569 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939634 490480692 /nfs/dbraw/zinc/48/06/92/490480692.db2.gz STRLCSCXKBYDMD-ZIAGYGMSSA-N 2 1 350.488 0.702 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000484939634 490480695 /nfs/dbraw/zinc/48/06/95/490480695.db2.gz STRLCSCXKBYDMD-ZIAGYGMSSA-N 2 1 350.488 0.702 20 0 FCADMP COc1cc(CNC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972715 490485002 /nfs/dbraw/zinc/48/50/02/490485002.db2.gz OQKAGZZPFOFYJW-JSGCOSHPSA-N 2 1 351.447 0.998 20 0 FCADMP COc1cc(CNC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000484972715 490485008 /nfs/dbraw/zinc/48/50/08/490485008.db2.gz OQKAGZZPFOFYJW-JSGCOSHPSA-N 2 1 351.447 0.998 20 0 FCADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000422889529 490491368 /nfs/dbraw/zinc/49/13/68/490491368.db2.gz GKBLNBNDEJPPLK-KBXCAEBGSA-N 2 1 354.454 0.950 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000500436605 490516819 /nfs/dbraw/zinc/51/68/19/490516819.db2.gz AYVUWYPRICFVRO-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC12COC2 ZINC000451141289 490519997 /nfs/dbraw/zinc/51/99/97/490519997.db2.gz VEHYJWOWNXUFRJ-INIZCTEOSA-N 2 1 365.474 0.241 20 0 FCADMP CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC12COC2 ZINC000451141289 490520000 /nfs/dbraw/zinc/52/00/00/490520000.db2.gz VEHYJWOWNXUFRJ-INIZCTEOSA-N 2 1 365.474 0.241 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000485392929 490527922 /nfs/dbraw/zinc/52/79/22/490527922.db2.gz XMUPJERVBPVXDM-MRXNPFEDSA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396514 490527955 /nfs/dbraw/zinc/52/79/55/490527955.db2.gz LYCRWIWBRLHUNO-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396514 490527960 /nfs/dbraw/zinc/52/79/60/490527960.db2.gz LYCRWIWBRLHUNO-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396514 490527965 /nfs/dbraw/zinc/52/79/65/490527965.db2.gz LYCRWIWBRLHUNO-SJORKVTESA-N 2 1 367.538 0.912 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391188 490528062 /nfs/dbraw/zinc/52/80/62/490528062.db2.gz PSUCPKJRTFSKRT-HZPDHXFCSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391188 490528065 /nfs/dbraw/zinc/52/80/65/490528065.db2.gz PSUCPKJRTFSKRT-HZPDHXFCSA-N 2 1 353.511 0.557 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000485391188 490528071 /nfs/dbraw/zinc/52/80/71/490528071.db2.gz PSUCPKJRTFSKRT-HZPDHXFCSA-N 2 1 353.511 0.557 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396511 490528570 /nfs/dbraw/zinc/52/85/70/490528570.db2.gz LYCRWIWBRLHUNO-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396511 490528574 /nfs/dbraw/zinc/52/85/74/490528574.db2.gz LYCRWIWBRLHUNO-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396511 490528579 /nfs/dbraw/zinc/52/85/79/490528579.db2.gz LYCRWIWBRLHUNO-IRXDYDNUSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423061117 490533985 /nfs/dbraw/zinc/53/39/85/490533985.db2.gz QDUCKXCBGJCWEW-SOLBZPMBSA-N 2 1 358.486 0.928 20 0 FCADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423074531 490536635 /nfs/dbraw/zinc/53/66/35/490536635.db2.gz UXWSMTYKZSGLME-OTWHNJEPSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000536127505 490555680 /nfs/dbraw/zinc/55/56/80/490555680.db2.gz RPUJXCQKRGLFDD-UHFFFAOYSA-N 2 1 368.397 0.812 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000485809161 490560611 /nfs/dbraw/zinc/56/06/11/490560611.db2.gz BETNDNAUPKGVII-OAHLLOKOSA-N 2 1 371.445 0.955 20 0 FCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000564913667 491336118 /nfs/dbraw/zinc/33/61/18/491336118.db2.gz RFCZCMHOWFMBDS-ZBFHGGJFSA-N 2 1 364.515 0.945 20 0 FCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511151169 490566891 /nfs/dbraw/zinc/56/68/91/490566891.db2.gz MQIUKAOBQHILNX-ZIAGYGMSSA-N 2 1 360.380 0.647 20 0 FCADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000524925491 490570849 /nfs/dbraw/zinc/57/08/49/490570849.db2.gz YGLQKMVUBVHIPI-INIZCTEOSA-N 2 1 355.527 0.111 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228737 490599122 /nfs/dbraw/zinc/59/91/22/490599122.db2.gz KAFRCAFVAQSWRX-RDJZCZTQSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000486228737 490599123 /nfs/dbraw/zinc/59/91/23/490599123.db2.gz KAFRCAFVAQSWRX-RDJZCZTQSA-N 2 1 350.507 0.587 20 0 FCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000525684489 490618849 /nfs/dbraw/zinc/61/88/49/490618849.db2.gz SNCDIAXDGXDMSW-CEXWTWQISA-N 2 1 355.523 0.643 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000550103419 490625129 /nfs/dbraw/zinc/62/51/29/490625129.db2.gz LTVRVOBDPSRRQP-UHFFFAOYSA-N 2 1 350.507 0.779 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000550129542 490629969 /nfs/dbraw/zinc/62/99/69/490629969.db2.gz ITCOBWLHXSYAFR-RDJZCZTQSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000501651821 490630935 /nfs/dbraw/zinc/63/09/35/490630935.db2.gz YMISONWMPPRCFC-HLLBOEOZSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000501665297 490633170 /nfs/dbraw/zinc/63/31/70/490633170.db2.gz POOMDHDWVKOFMC-SFHVURJKSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000501665297 490633177 /nfs/dbraw/zinc/63/31/77/490633177.db2.gz POOMDHDWVKOFMC-SFHVURJKSA-N 2 1 352.523 0.724 20 0 FCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000564993779 491344938 /nfs/dbraw/zinc/34/49/38/491344938.db2.gz UTVCTSLDWNYDTR-NVXWUHKLSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943024 490680892 /nfs/dbraw/zinc/68/08/92/490680892.db2.gz WVPMMRBHSREMSY-NXHRZFHOSA-N 2 1 360.502 0.589 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000512432381 490681669 /nfs/dbraw/zinc/68/16/69/490681669.db2.gz PQQIYBRWTOURSB-INIZCTEOSA-N 2 1 367.538 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C ZINC000486992133 490685270 /nfs/dbraw/zinc/68/52/70/490685270.db2.gz YRMMGGIEERDYOK-OBRKIGFESA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C ZINC000486992133 490685272 /nfs/dbraw/zinc/68/52/72/490685272.db2.gz YRMMGGIEERDYOK-OBRKIGFESA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C ZINC000486992133 490685275 /nfs/dbraw/zinc/68/52/75/490685275.db2.gz YRMMGGIEERDYOK-OBRKIGFESA-N 2 1 364.534 0.830 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281402 490703702 /nfs/dbraw/zinc/70/37/02/490703702.db2.gz MYLHWAQSHORMBJ-QPSCCSFWSA-N 2 1 364.469 0.773 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000487281402 490703705 /nfs/dbraw/zinc/70/37/05/490703705.db2.gz MYLHWAQSHORMBJ-QPSCCSFWSA-N 2 1 364.469 0.773 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557001011 491347997 /nfs/dbraw/zinc/34/79/97/491347997.db2.gz LUYQKQCGNXHFHK-ZBFHGGJFSA-N 2 1 359.474 0.789 20 0 FCADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557001011 491347999 /nfs/dbraw/zinc/34/79/99/491347999.db2.gz LUYQKQCGNXHFHK-ZBFHGGJFSA-N 2 1 359.474 0.789 20 0 FCADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@H]2C1 ZINC000502721891 490717750 /nfs/dbraw/zinc/71/77/50/490717750.db2.gz OOIJODBWXOHMPI-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@H]2C1 ZINC000502721891 490717751 /nfs/dbraw/zinc/71/77/51/490717751.db2.gz OOIJODBWXOHMPI-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@H]2C1 ZINC000502721891 490717753 /nfs/dbraw/zinc/71/77/53/490717753.db2.gz OOIJODBWXOHMPI-OKZBNKHCSA-N 2 1 351.491 0.951 20 0 FCADMP CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000487553960 490718161 /nfs/dbraw/zinc/71/81/61/490718161.db2.gz QLSZNTGPTJKRMR-YQFWSFKMSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000487553960 490718165 /nfs/dbraw/zinc/71/81/65/490718165.db2.gz QLSZNTGPTJKRMR-YQFWSFKMSA-N 2 1 350.507 0.441 20 0 FCADMP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000487553960 490718168 /nfs/dbraw/zinc/71/81/68/490718168.db2.gz QLSZNTGPTJKRMR-YQFWSFKMSA-N 2 1 350.507 0.441 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000538219391 490719834 /nfs/dbraw/zinc/71/98/34/490719834.db2.gz DERAHKWKIKIEAT-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000538219391 490719839 /nfs/dbraw/zinc/71/98/39/490719839.db2.gz DERAHKWKIKIEAT-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000572124424 491350024 /nfs/dbraw/zinc/35/00/24/491350024.db2.gz VTEALGNQDPVSKC-OALUTQOASA-N 2 1 358.486 0.394 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)(C)C[NH+](C)C ZINC000513502122 490735489 /nfs/dbraw/zinc/73/54/89/490735489.db2.gz YYVMPRNBKILFPF-OAHLLOKOSA-N 2 1 370.538 0.384 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000488579133 490765308 /nfs/dbraw/zinc/76/53/08/490765308.db2.gz PPJCSHYINAZFNN-DYWWHBPLSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000488579133 490765311 /nfs/dbraw/zinc/76/53/11/490765311.db2.gz PPJCSHYINAZFNN-DYWWHBPLSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000488579133 490765312 /nfs/dbraw/zinc/76/53/12/490765312.db2.gz PPJCSHYINAZFNN-DYWWHBPLSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122225 491354675 /nfs/dbraw/zinc/35/46/75/491354675.db2.gz QHTCZRRSNWNZEH-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000488885077 490780258 /nfs/dbraw/zinc/78/02/58/490780258.db2.gz LCYLAYSVTINGIE-LJQANCHMSA-N 2 1 360.502 0.676 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCSC[C@@H]3C(N)=O)CC2)CC1 ZINC000565190220 491358989 /nfs/dbraw/zinc/35/89/89/491358989.db2.gz SIOFMNQVXSHOHO-MRXNPFEDSA-N 2 1 368.547 0.612 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000515528195 490831034 /nfs/dbraw/zinc/83/10/34/490831034.db2.gz PLAUSKYJPUKKOL-IRXDYDNUSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872190 490842195 /nfs/dbraw/zinc/84/21/95/490842195.db2.gz VCJUAXOPWCUSIX-BZZMCLGOSA-N 2 1 371.485 0.603 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000565224460 491361489 /nfs/dbraw/zinc/36/14/89/491361489.db2.gz JENATBPKJNDRCU-QFBILLFUSA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000565224460 491361491 /nfs/dbraw/zinc/36/14/91/491361491.db2.gz JENATBPKJNDRCU-QFBILLFUSA-N 2 1 360.458 0.496 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000565224460 491361494 /nfs/dbraw/zinc/36/14/94/491361494.db2.gz JENATBPKJNDRCU-QFBILLFUSA-N 2 1 360.458 0.496 20 0 FCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000557245890 491361636 /nfs/dbraw/zinc/36/16/36/491361636.db2.gz GLVRZIUCEQESQB-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000557245890 491361637 /nfs/dbraw/zinc/36/16/37/491361637.db2.gz GLVRZIUCEQESQB-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529357314 490856149 /nfs/dbraw/zinc/85/61/49/490856149.db2.gz LBPHRQJQFZJNNN-INIZCTEOSA-N 2 1 363.506 0.467 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000516856187 490880633 /nfs/dbraw/zinc/88/06/33/490880633.db2.gz FZUIGXSSPNVOIC-CABCVRRESA-N 2 1 367.519 0.406 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000517157822 490896758 /nfs/dbraw/zinc/89/67/58/490896758.db2.gz VZSCRVRSUSIBMC-OAHLLOKOSA-N 2 1 356.511 0.308 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C(=O)OC)[C@H](C)O)CC2)CC1 ZINC000517173291 490897510 /nfs/dbraw/zinc/89/75/10/490897510.db2.gz WCPLZTOITXFCFF-XJKSGUPXSA-N 2 1 355.479 0.221 20 0 FCADMP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)C1 ZINC000517375970 490906516 /nfs/dbraw/zinc/90/65/16/490906516.db2.gz CTLWNEIQSLXHFO-MSOLQXFVSA-N 2 1 351.539 0.204 20 0 FCADMP C[C@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000542823843 490910770 /nfs/dbraw/zinc/91/07/70/490910770.db2.gz JIDOMENAEYUYNP-AWEZNQCLSA-N 2 1 351.495 0.489 20 0 FCADMP C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000542823843 490910774 /nfs/dbraw/zinc/91/07/74/490910774.db2.gz JIDOMENAEYUYNP-AWEZNQCLSA-N 2 1 351.495 0.489 20 0 FCADMP C[C@@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000542823846 490910805 /nfs/dbraw/zinc/91/08/05/490910805.db2.gz JIDOMENAEYUYNP-CQSZACIVSA-N 2 1 351.495 0.489 20 0 FCADMP C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000542823846 490910808 /nfs/dbraw/zinc/91/08/08/490910808.db2.gz JIDOMENAEYUYNP-CQSZACIVSA-N 2 1 351.495 0.489 20 0 FCADMP CC[NH+](CC)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000518389432 490939473 /nfs/dbraw/zinc/93/94/73/490939473.db2.gz RRGPHSNIPBGWSJ-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394769 490939558 /nfs/dbraw/zinc/93/95/58/490939558.db2.gz YMOWPZXCTIVNSZ-ROUUACIJSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394769 490939560 /nfs/dbraw/zinc/93/95/60/490939560.db2.gz YMOWPZXCTIVNSZ-ROUUACIJSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394769 490939562 /nfs/dbraw/zinc/93/95/62/490939562.db2.gz YMOWPZXCTIVNSZ-ROUUACIJSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394769 490939564 /nfs/dbraw/zinc/93/95/64/490939564.db2.gz YMOWPZXCTIVNSZ-ROUUACIJSA-N 2 1 350.507 0.779 20 0 FCADMP CC(C)CN1C[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCN2C1=O ZINC000572374181 491365629 /nfs/dbraw/zinc/36/56/29/491365629.db2.gz IJUYXVXMWVMMJZ-HOTGVXAUSA-N 2 1 351.495 0.262 20 0 FCADMP C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000543751227 490944584 /nfs/dbraw/zinc/94/45/84/490944584.db2.gz GYSQILCLFLWYKY-INIZCTEOSA-N 2 1 363.506 0.586 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000518934798 490955382 /nfs/dbraw/zinc/95/53/82/490955382.db2.gz OKNLKLOLHADYJD-CZUORRHYSA-N 2 1 358.442 0.660 20 0 FCADMP C[C@@H](C[S@](C)=O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000544128445 490958173 /nfs/dbraw/zinc/95/81/73/490958173.db2.gz OZBNSWRHBVCLFL-MQNRADLISA-N 2 1 367.519 0.660 20 0 FCADMP C[C@H]1COCCN1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000519007609 490958950 /nfs/dbraw/zinc/95/89/50/490958950.db2.gz ZITDXTLCYVSLMP-IRXDYDNUSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1COCCN1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000519007608 490958957 /nfs/dbraw/zinc/95/89/57/490958957.db2.gz ZITDXTLCYVSLMP-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000519549026 490975744 /nfs/dbraw/zinc/97/57/44/490975744.db2.gz XQCVMIBEOCCGSC-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000519558202 490976807 /nfs/dbraw/zinc/97/68/07/490976807.db2.gz PZJYRRKEQFGPFG-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](CO)C3)CC2)CC1 ZINC000519612367 490979319 /nfs/dbraw/zinc/97/93/19/490979319.db2.gz LUNABBZHCXAPRH-QAPCUYQASA-N 2 1 353.507 0.791 20 0 FCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000532010919 490982803 /nfs/dbraw/zinc/98/28/03/490982803.db2.gz AXQPMCOVBAEBIA-BPQIPLTHSA-N 2 1 368.522 0.632 20 0 FCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000553904473 491163219 /nfs/dbraw/zinc/16/32/19/491163219.db2.gz ZHRMWPZXRIAWLE-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC000553996421 491168567 /nfs/dbraw/zinc/16/85/67/491168567.db2.gz IBIBXCRUTBQQHG-OZSLIKBDSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996421 491168569 /nfs/dbraw/zinc/16/85/69/491168569.db2.gz IBIBXCRUTBQQHG-OZSLIKBDSA-N 2 1 365.522 0.852 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000553996421 491168571 /nfs/dbraw/zinc/16/85/71/491168571.db2.gz IBIBXCRUTBQQHG-OZSLIKBDSA-N 2 1 365.522 0.852 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000557338104 491368480 /nfs/dbraw/zinc/36/84/80/491368480.db2.gz SIADBIDPPDHNRS-MRXNPFEDSA-N 2 1 366.487 0.737 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000572484798 491373517 /nfs/dbraw/zinc/37/35/17/491373517.db2.gz UMQNUOFNPVMGOO-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000572484798 491373519 /nfs/dbraw/zinc/37/35/19/491373519.db2.gz UMQNUOFNPVMGOO-QGZVFWFLSA-N 2 1 368.522 0.994 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422464 491374149 /nfs/dbraw/zinc/37/41/49/491374149.db2.gz XFMXKHWSDIOTLU-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422464 491374150 /nfs/dbraw/zinc/37/41/50/491374150.db2.gz XFMXKHWSDIOTLU-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557422464 491374152 /nfs/dbraw/zinc/37/41/52/491374152.db2.gz XFMXKHWSDIOTLU-IXDOHACOSA-N 2 1 368.522 0.593 20 0 FCADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@H]2[NH3+])cn1 ZINC000572521768 491376435 /nfs/dbraw/zinc/37/64/35/491376435.db2.gz SHEJDBJTTZOJRA-NZSAHSFTSA-N 2 1 368.485 0.980 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H]1C ZINC000557491036 491377562 /nfs/dbraw/zinc/37/75/62/491377562.db2.gz FRRKNOQPFJENLW-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H]1C ZINC000557491036 491377564 /nfs/dbraw/zinc/37/75/64/491377564.db2.gz FRRKNOQPFJENLW-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)C1CC1 ZINC000557565201 491383561 /nfs/dbraw/zinc/38/35/61/491383561.db2.gz XEOQMTIENWIZDC-HOCLYGCPSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@H+](C)C1CC1 ZINC000557565201 491383564 /nfs/dbraw/zinc/38/35/64/491383564.db2.gz XEOQMTIENWIZDC-HOCLYGCPSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)C1CC1 ZINC000557565201 491383568 /nfs/dbraw/zinc/38/35/68/491383568.db2.gz XEOQMTIENWIZDC-HOCLYGCPSA-N 2 1 350.507 0.776 20 0 FCADMP COc1cnc(NC[C@H]2CCC[N@@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573479 491384482 /nfs/dbraw/zinc/38/44/82/491384482.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@H+](C)C1 ZINC000557573479 491384484 /nfs/dbraw/zinc/38/44/84/491384484.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 2 1 362.522 0.836 20 0 FCADMP COc1cnc(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000557573479 491384486 /nfs/dbraw/zinc/38/44/86/491384486.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 2 1 362.522 0.836 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000565714313 491394809 /nfs/dbraw/zinc/39/48/09/491394809.db2.gz ISVGVXCWGOWIPP-GJZGRUSLSA-N 2 1 361.490 0.999 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCC1 ZINC000557975484 491407109 /nfs/dbraw/zinc/40/71/09/491407109.db2.gz ATXZTBVVJXFQSO-UHFFFAOYSA-N 2 1 356.536 0.390 20 0 FCADMP Cc1nc(COc2ccc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)no1 ZINC000573021552 491407951 /nfs/dbraw/zinc/40/79/51/491407951.db2.gz CVACXWIKMAUHOJ-GOEBONIOSA-N 2 1 357.414 0.701 20 0 FCADMP Cc1nc(COc2ccc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)no1 ZINC000573021552 491407953 /nfs/dbraw/zinc/40/79/53/491407953.db2.gz CVACXWIKMAUHOJ-GOEBONIOSA-N 2 1 357.414 0.701 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000558059683 491410892 /nfs/dbraw/zinc/41/08/92/491410892.db2.gz UEVZAGRKCRQIQJ-KBPBESRZSA-N 2 1 364.494 0.434 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000558059683 491410893 /nfs/dbraw/zinc/41/08/93/491410893.db2.gz UEVZAGRKCRQIQJ-KBPBESRZSA-N 2 1 364.494 0.434 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000558134535 491415920 /nfs/dbraw/zinc/41/59/20/491415920.db2.gz DSMUKWTWJXIZJE-KRWDZBQOSA-N 2 1 368.522 0.593 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000558210476 491420110 /nfs/dbraw/zinc/42/01/10/491420110.db2.gz TUTVDLWOYNRMAL-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000573223579 491420474 /nfs/dbraw/zinc/42/04/74/491420474.db2.gz LFJYJRJMYDPYQT-KRWDZBQOSA-N 2 1 365.453 0.235 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000558217563 491420715 /nfs/dbraw/zinc/42/07/15/491420715.db2.gz JWEYWICOWQLZTO-MJGOQNOKSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000558217563 491420717 /nfs/dbraw/zinc/42/07/17/491420717.db2.gz JWEYWICOWQLZTO-MJGOQNOKSA-N 2 1 372.513 0.972 20 0 FCADMP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000683257126 493342161 /nfs/dbraw/zinc/34/21/61/493342161.db2.gz WGJABNCWGRRLIL-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000683257126 493342164 /nfs/dbraw/zinc/34/21/64/493342164.db2.gz WGJABNCWGRRLIL-LJQANCHMSA-N 2 1 360.502 0.641 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000566171387 491422641 /nfs/dbraw/zinc/42/26/41/491422641.db2.gz DEZYDEJIZSEQRC-QGZVFWFLSA-N 2 1 362.449 0.728 20 0 FCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000566171387 491422642 /nfs/dbraw/zinc/42/26/42/491422642.db2.gz DEZYDEJIZSEQRC-QGZVFWFLSA-N 2 1 362.449 0.728 20 0 FCADMP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000566180282 491423416 /nfs/dbraw/zinc/42/34/16/491423416.db2.gz APNZADNHBNSLIO-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000558359727 491427008 /nfs/dbraw/zinc/42/70/08/491427008.db2.gz ITEPIPMGFLXVPD-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000558359727 491427011 /nfs/dbraw/zinc/42/70/11/491427011.db2.gz ITEPIPMGFLXVPD-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000558359727 491427012 /nfs/dbraw/zinc/42/70/12/491427012.db2.gz ITEPIPMGFLXVPD-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000573441287 491433252 /nfs/dbraw/zinc/43/32/52/491433252.db2.gz BQLWQVINKLZMAP-SFHVURJKSA-N 2 1 374.485 0.598 20 0 FCADMP C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351444 491439040 /nfs/dbraw/zinc/43/90/40/491439040.db2.gz IFOQTXVXXWLRON-KRWDZBQOSA-N 2 1 372.513 0.697 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000573547200 491439890 /nfs/dbraw/zinc/43/98/90/491439890.db2.gz XQPIDOOFYBBIFC-AYOQOUSVSA-N 2 1 372.513 0.874 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660330301 493343631 /nfs/dbraw/zinc/34/36/31/493343631.db2.gz ROODPSLZZBVAGE-INIZCTEOSA-N 2 1 365.522 0.618 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660330301 493343633 /nfs/dbraw/zinc/34/36/33/493343633.db2.gz ROODPSLZZBVAGE-INIZCTEOSA-N 2 1 365.522 0.618 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566572498 491454162 /nfs/dbraw/zinc/45/41/62/491454162.db2.gz FDAUSJPMFZWNLA-KSZLIROESA-N 2 1 374.485 0.260 20 0 FCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566572498 491454164 /nfs/dbraw/zinc/45/41/64/491454164.db2.gz FDAUSJPMFZWNLA-KSZLIROESA-N 2 1 374.485 0.260 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785526 491454601 /nfs/dbraw/zinc/45/46/01/491454601.db2.gz CAPVCXANJWZWTM-AEFFLSMTSA-N 2 1 364.490 0.811 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785526 491454604 /nfs/dbraw/zinc/45/46/04/491454604.db2.gz CAPVCXANJWZWTM-AEFFLSMTSA-N 2 1 364.490 0.811 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000573806392 491456013 /nfs/dbraw/zinc/45/60/13/491456013.db2.gz FDUFCVTYRZLLFE-QUCCMNQESA-N 2 1 371.529 0.609 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000573806392 491456015 /nfs/dbraw/zinc/45/60/15/491456015.db2.gz FDUFCVTYRZLLFE-QUCCMNQESA-N 2 1 371.529 0.609 20 0 FCADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000566618210 491456252 /nfs/dbraw/zinc/45/62/52/491456252.db2.gz YJPRHIDAXOHOEC-JVSBHGNQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000566618210 491456253 /nfs/dbraw/zinc/45/62/53/491456253.db2.gz YJPRHIDAXOHOEC-JVSBHGNQSA-N 2 1 370.582 0.540 20 0 FCADMP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000566618210 491456254 /nfs/dbraw/zinc/45/62/54/491456254.db2.gz YJPRHIDAXOHOEC-JVSBHGNQSA-N 2 1 370.582 0.540 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566728279 491462797 /nfs/dbraw/zinc/46/27/97/491462797.db2.gz VHPIWHHZRUBSCW-IRXDYDNUSA-N 2 1 359.474 0.634 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000573945061 491464827 /nfs/dbraw/zinc/46/48/27/491464827.db2.gz QXSRENPFZGSRDG-UHFFFAOYSA-N 2 1 358.486 0.489 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000559364228 491467375 /nfs/dbraw/zinc/46/73/75/491467375.db2.gz KWZPEXGYNVQUBC-UHFFFAOYSA-N 2 1 368.522 0.596 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000559442289 491473227 /nfs/dbraw/zinc/47/32/27/491473227.db2.gz SBPGIWCGVRFZLC-CVEARBPZSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000559442289 491473228 /nfs/dbraw/zinc/47/32/28/491473228.db2.gz SBPGIWCGVRFZLC-CVEARBPZSA-N 2 1 356.511 0.306 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000559442289 491473231 /nfs/dbraw/zinc/47/32/31/491473231.db2.gz SBPGIWCGVRFZLC-CVEARBPZSA-N 2 1 356.511 0.306 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000574167810 491478580 /nfs/dbraw/zinc/47/85/80/491478580.db2.gz UWMNPFUAAKREGN-BRSBDYLESA-N 2 1 351.539 0.947 20 0 FCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000574205921 491480996 /nfs/dbraw/zinc/48/09/96/491480996.db2.gz PXHFBAZJWYQPBR-AWEZNQCLSA-N 2 1 366.487 0.594 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c2ccccc2)CC1 ZINC000567052312 491482640 /nfs/dbraw/zinc/48/26/40/491482640.db2.gz VPHVPKDLSOFOTF-FHWLQOOXSA-N 2 1 358.486 0.564 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000559592207 491483647 /nfs/dbraw/zinc/48/36/47/491483647.db2.gz AXJFJXFBSKKXCA-INIZCTEOSA-N 2 1 356.511 0.260 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000559681863 491491811 /nfs/dbraw/zinc/49/18/11/491491811.db2.gz IZXLFVPOQHMMSN-UHFFFAOYSA-N 2 1 368.522 0.594 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000567221581 491492430 /nfs/dbraw/zinc/49/24/30/491492430.db2.gz YVXAYGMJRLCHIR-KRWDZBQOSA-N 2 1 368.522 0.309 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000567221581 491492432 /nfs/dbraw/zinc/49/24/32/491492432.db2.gz YVXAYGMJRLCHIR-KRWDZBQOSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484687 491500337 /nfs/dbraw/zinc/50/03/37/491500337.db2.gz REQABNWJYZULTO-PNBKFKSVSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484687 491500339 /nfs/dbraw/zinc/50/03/39/491500339.db2.gz REQABNWJYZULTO-PNBKFKSVSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574484687 491500341 /nfs/dbraw/zinc/50/03/41/491500341.db2.gz REQABNWJYZULTO-PNBKFKSVSA-N 2 1 366.506 0.201 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574511044 491501632 /nfs/dbraw/zinc/50/16/32/491501632.db2.gz RSTBQFYOYQKMLN-DOTOQJQBSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCN1C ZINC000574598889 491507655 /nfs/dbraw/zinc/50/76/55/491507655.db2.gz DLVLVEXMFXRNGH-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+]1C ZINC000574598889 491507657 /nfs/dbraw/zinc/50/76/57/491507657.db2.gz DLVLVEXMFXRNGH-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[NH+]1C ZINC000574598889 491507661 /nfs/dbraw/zinc/50/76/61/491507661.db2.gz DLVLVEXMFXRNGH-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH+]1C ZINC000574598889 491507663 /nfs/dbraw/zinc/50/76/63/491507663.db2.gz DLVLVEXMFXRNGH-IRXDYDNUSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000559900936 491508786 /nfs/dbraw/zinc/50/87/86/491508786.db2.gz FQKRIEWPDDRISU-MRXNPFEDSA-N 2 1 371.485 0.639 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000559900936 491508788 /nfs/dbraw/zinc/50/87/88/491508788.db2.gz FQKRIEWPDDRISU-MRXNPFEDSA-N 2 1 371.485 0.639 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000574724240 491516114 /nfs/dbraw/zinc/51/61/14/491516114.db2.gz CCTJGDWDBSJKKC-UHFFFAOYSA-N 2 1 356.536 0.789 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000560026992 491516464 /nfs/dbraw/zinc/51/64/64/491516464.db2.gz YTGXVIXHGCXICH-CVEARBPZSA-N 2 1 350.507 0.968 20 0 FCADMP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000567675231 491522136 /nfs/dbraw/zinc/52/21/36/491522136.db2.gz HBZYDMAKIYDILO-RBUKOAKNSA-N 2 1 357.502 0.808 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000567763492 491527782 /nfs/dbraw/zinc/52/77/82/491527782.db2.gz BOXAXRXIXULQFT-FUHWJXTLSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000575115208 491540070 /nfs/dbraw/zinc/54/00/70/491540070.db2.gz KMOJIABIUDUVSQ-JKSUJKDBSA-N 2 1 357.458 0.107 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000568017455 491547559 /nfs/dbraw/zinc/54/75/59/491547559.db2.gz PDBDTVCYQOVALY-QGZVFWFLSA-N 2 1 368.522 0.594 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CCCO1 ZINC000575476918 491555251 /nfs/dbraw/zinc/55/52/51/491555251.db2.gz MJLUMXHSYBDLLK-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000568205393 491559274 /nfs/dbraw/zinc/55/92/74/491559274.db2.gz MIRCWRMJFBGEFU-AWEZNQCLSA-N 2 1 362.478 0.529 20 0 FCADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000568205393 491559276 /nfs/dbraw/zinc/55/92/76/491559276.db2.gz MIRCWRMJFBGEFU-AWEZNQCLSA-N 2 1 362.478 0.529 20 0 FCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000568205393 491559278 /nfs/dbraw/zinc/55/92/78/491559278.db2.gz MIRCWRMJFBGEFU-AWEZNQCLSA-N 2 1 362.478 0.529 20 0 FCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000568205393 491559282 /nfs/dbraw/zinc/55/92/82/491559282.db2.gz MIRCWRMJFBGEFU-AWEZNQCLSA-N 2 1 362.478 0.529 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+](C)C1 ZINC000568225462 491561200 /nfs/dbraw/zinc/56/12/00/491561200.db2.gz IBNJYCBSYKLQRO-CVEARBPZSA-N 2 1 369.531 0.767 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000560883362 491561307 /nfs/dbraw/zinc/56/13/07/491561307.db2.gz BYGROWQYKTZJRI-DLBZAZTESA-N 2 1 366.506 0.015 20 0 FCADMP CC[C@@H]1CN(CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCO1 ZINC000575813632 491562675 /nfs/dbraw/zinc/56/26/75/491562675.db2.gz AATWJDQNZWPZGC-CYBMUJFWSA-N 2 1 360.462 0.875 20 0 FCADMP CC[C@H]1CN(CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCO1 ZINC000575813633 491562839 /nfs/dbraw/zinc/56/28/39/491562839.db2.gz AATWJDQNZWPZGC-ZDUSSCGKSA-N 2 1 360.462 0.875 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C ZINC000575882106 491567225 /nfs/dbraw/zinc/56/72/25/491567225.db2.gz JDXZGFFUQLOZPR-HOTGVXAUSA-N 2 1 361.442 0.599 20 0 FCADMP COC(=O)COc1c(C)cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C ZINC000575882106 491567227 /nfs/dbraw/zinc/56/72/27/491567227.db2.gz JDXZGFFUQLOZPR-HOTGVXAUSA-N 2 1 361.442 0.599 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000568374929 491572553 /nfs/dbraw/zinc/57/25/53/491572553.db2.gz KPVHLIUVPIOZBT-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000575991880 491574466 /nfs/dbraw/zinc/57/44/66/491574466.db2.gz HAWIOLTYGHZBHF-KUHUBIRLSA-N 2 1 358.442 0.773 20 0 FCADMP CC[N@@H+]1CCc2nc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)sc2C1 ZINC000576035157 491577509 /nfs/dbraw/zinc/57/75/09/491577509.db2.gz DUICICCPMGCVHU-GFCCVEGCSA-N 2 1 351.476 0.718 20 0 FCADMP CC[N@H+]1CCc2nc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)sc2C1 ZINC000576035157 491577511 /nfs/dbraw/zinc/57/75/11/491577511.db2.gz DUICICCPMGCVHU-GFCCVEGCSA-N 2 1 351.476 0.718 20 0 FCADMP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568565947 491586968 /nfs/dbraw/zinc/58/69/68/491586968.db2.gz ZQJHLPKGMIYYME-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000584464506 491594236 /nfs/dbraw/zinc/59/42/36/491594236.db2.gz RRYHDZDTIHKLRK-QXCFHYIPSA-N 2 1 370.497 0.915 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470520 491595344 /nfs/dbraw/zinc/59/53/44/491595344.db2.gz IWVGKWAZPROMDL-WDEREUQCSA-N 2 1 366.384 0.450 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584470520 491595348 /nfs/dbraw/zinc/59/53/48/491595348.db2.gz IWVGKWAZPROMDL-WDEREUQCSA-N 2 1 366.384 0.450 20 0 FCADMP [NH3+]C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1 ZINC000577208456 491601869 /nfs/dbraw/zinc/60/18/69/491601869.db2.gz IFSHZGYCTSWHMM-MRXNPFEDSA-N 2 1 354.495 0.685 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568737319 491604917 /nfs/dbraw/zinc/60/49/17/491604917.db2.gz JVXPWISBGDLRRC-XHSDSOJGSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[NH+]1CCOCC1 ZINC000568735936 491604954 /nfs/dbraw/zinc/60/49/54/491604954.db2.gz SMUPRUHKWNXXTO-SJORKVTESA-N 2 1 368.522 0.740 20 0 FCADMP CC(C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[NH+]1CCOCC1 ZINC000568735934 491604965 /nfs/dbraw/zinc/60/49/65/491604965.db2.gz SMUPRUHKWNXXTO-IRXDYDNUSA-N 2 1 368.522 0.740 20 0 FCADMP C[C@@]1(n2cc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)cn2)CCS(=O)(=O)C1 ZINC000577274400 491608183 /nfs/dbraw/zinc/60/81/83/491608183.db2.gz IKDINRKRNZRXCB-ZIAGYGMSSA-N 2 1 362.446 0.751 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1 ZINC000568841791 491612988 /nfs/dbraw/zinc/61/29/88/491612988.db2.gz SGDRWUZIDRMAQD-BSDSXHPESA-N 2 1 353.507 0.552 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1 ZINC000568841791 491612989 /nfs/dbraw/zinc/61/29/89/491612989.db2.gz SGDRWUZIDRMAQD-BSDSXHPESA-N 2 1 353.507 0.552 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000576415688 491613272 /nfs/dbraw/zinc/61/32/72/491613272.db2.gz MWJQLWGXZYLJLT-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000576415688 491613276 /nfs/dbraw/zinc/61/32/76/491613276.db2.gz MWJQLWGXZYLJLT-GJZGRUSLSA-N 2 1 350.507 0.918 20 0 FCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568869594 491615655 /nfs/dbraw/zinc/61/56/55/491615655.db2.gz XEQIEHSHUXNGDU-OAQYLSRUSA-N 2 1 370.497 0.933 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000576490935 491619403 /nfs/dbraw/zinc/61/94/03/491619403.db2.gz AGJOMMHDTYHCOO-HNNXBMFYSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1=CC[NH+](C)CC1 ZINC000569172012 491639870 /nfs/dbraw/zinc/63/98/70/491639870.db2.gz NVEMWTAYGBOYNV-OAHLLOKOSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)C1=CC[N@H+](C)CC1 ZINC000569172012 491639873 /nfs/dbraw/zinc/63/98/73/491639873.db2.gz NVEMWTAYGBOYNV-OAHLLOKOSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000569172012 491639874 /nfs/dbraw/zinc/63/98/74/491639874.db2.gz NVEMWTAYGBOYNV-OAHLLOKOSA-N 2 1 366.506 0.058 20 0 FCADMP CC(CC[NH+]1CCC[C@H]2C(=O)NC[C@H]21)CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000569197847 491641257 /nfs/dbraw/zinc/64/12/57/491641257.db2.gz XTWRILRBADUHIK-BRSBDYLESA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766880 491643426 /nfs/dbraw/zinc/64/34/26/491643426.db2.gz ZOGUTGWLXZQYMQ-MOPGFXCFSA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766880 491643428 /nfs/dbraw/zinc/64/34/28/491643428.db2.gz ZOGUTGWLXZQYMQ-MOPGFXCFSA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766880 491643430 /nfs/dbraw/zinc/64/34/30/491643430.db2.gz ZOGUTGWLXZQYMQ-MOPGFXCFSA-N 2 1 354.539 0.565 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000576790058 491644839 /nfs/dbraw/zinc/64/48/39/491644839.db2.gz RRLFXWQTCNYXLT-OAHLLOKOSA-N 2 1 366.506 0.322 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050323 491650774 /nfs/dbraw/zinc/65/07/74/491650774.db2.gz ZMHAELRYQMYBAT-PBHICJAKSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000562050323 491650777 /nfs/dbraw/zinc/65/07/77/491650777.db2.gz ZMHAELRYQMYBAT-PBHICJAKSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000562050323 491650780 /nfs/dbraw/zinc/65/07/80/491650780.db2.gz ZMHAELRYQMYBAT-PBHICJAKSA-N 2 1 361.552 0.824 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000562050323 491650783 /nfs/dbraw/zinc/65/07/83/491650783.db2.gz ZMHAELRYQMYBAT-PBHICJAKSA-N 2 1 361.552 0.824 20 0 FCADMP CO[C@@H](C[NH3+])CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000576876985 491653078 /nfs/dbraw/zinc/65/30/78/491653078.db2.gz WBQROIBALWMDMF-QGZVFWFLSA-N 2 1 350.463 0.496 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000569349928 491654749 /nfs/dbraw/zinc/65/47/49/491654749.db2.gz ATESHRYJIKZXED-BQFCYCMXSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000569349929 491654842 /nfs/dbraw/zinc/65/48/42/491654842.db2.gz ATESHRYJIKZXED-JZXOWHBKSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000576900448 491654990 /nfs/dbraw/zinc/65/49/90/491654990.db2.gz CXGVOWSDCZRWCO-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900448 491654993 /nfs/dbraw/zinc/65/49/93/491654993.db2.gz CXGVOWSDCZRWCO-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900448 491654996 /nfs/dbraw/zinc/65/49/96/491654996.db2.gz CXGVOWSDCZRWCO-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000576901635 491655367 /nfs/dbraw/zinc/65/53/67/491655367.db2.gz ZUMMMIPVPIAUBG-MRXNPFEDSA-N 2 1 356.511 0.404 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000578169382 491671398 /nfs/dbraw/zinc/67/13/98/491671398.db2.gz CGJRRCWVRGBWGO-GASCZTMLSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000578169382 491671399 /nfs/dbraw/zinc/67/13/99/491671399.db2.gz CGJRRCWVRGBWGO-GASCZTMLSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000578253679 491673413 /nfs/dbraw/zinc/67/34/13/491673413.db2.gz MJHDOOPCBLZNMX-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000578253679 491673414 /nfs/dbraw/zinc/67/34/14/491673414.db2.gz MJHDOOPCBLZNMX-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000578313962 491674389 /nfs/dbraw/zinc/67/43/89/491674389.db2.gz GXTHYDAFZRFJAI-IAGOWNOFSA-N 2 1 350.507 0.921 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000683501060 493356528 /nfs/dbraw/zinc/35/65/28/493356528.db2.gz KJUUFFJRVDMSID-BRWVUGGUSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 ZINC000578608308 491680567 /nfs/dbraw/zinc/68/05/67/491680567.db2.gz NEGFHNPUTYOUDP-ROUUACIJSA-N 2 1 373.501 0.895 20 0 FCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000578748742 491683606 /nfs/dbraw/zinc/68/36/06/491683606.db2.gz AOBGEEJVWLNDFR-NWDGAFQWSA-N 2 1 351.216 0.498 20 0 FCADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2F)CC1 ZINC000578890390 491686552 /nfs/dbraw/zinc/68/65/52/491686552.db2.gz LILCMNCKOZQAGR-MRXNPFEDSA-N 2 1 363.481 0.601 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000578979104 491688244 /nfs/dbraw/zinc/68/82/44/491688244.db2.gz XJERBVLCGGMPQR-QGZVFWFLSA-N 2 1 359.474 0.707 20 0 FCADMP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579124382 491691597 /nfs/dbraw/zinc/69/15/97/491691597.db2.gz JOIUTGDDLULXSI-GOSISDBHSA-N 2 1 358.486 0.741 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)C1 ZINC000579855913 491706986 /nfs/dbraw/zinc/70/69/86/491706986.db2.gz HEYNJGDMMLGCCQ-QZTJIDSGSA-N 2 1 352.523 0.580 20 0 FCADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCNC1=O ZINC000579858186 491707112 /nfs/dbraw/zinc/70/71/12/491707112.db2.gz SVXRYJKBVDEHOT-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000580054279 491714962 /nfs/dbraw/zinc/71/49/62/491714962.db2.gz ZFTWVGHNNLQHJD-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000580054279 491714963 /nfs/dbraw/zinc/71/49/63/491714963.db2.gz ZFTWVGHNNLQHJD-MRXNPFEDSA-N 2 1 353.511 0.572 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580118245 491718435 /nfs/dbraw/zinc/71/84/35/491718435.db2.gz AFTQYEBZSVPQID-DJIMGWMZSA-N 2 1 366.506 0.033 20 0 FCADMP CCOC(=O)c1ccc(N2CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC2)nc1 ZINC000580200860 491721181 /nfs/dbraw/zinc/72/11/81/491721181.db2.gz NFIGFLGPGHASGT-GOSISDBHSA-N 2 1 350.463 0.741 20 0 FCADMP CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC2)nc1 ZINC000580200860 491721183 /nfs/dbraw/zinc/72/11/83/491721183.db2.gz NFIGFLGPGHASGT-GOSISDBHSA-N 2 1 350.463 0.741 20 0 FCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000580412740 491729787 /nfs/dbraw/zinc/72/97/87/491729787.db2.gz DFAJAVUMCKCVJJ-UHFFFAOYSA-N 2 1 360.502 0.783 20 0 FCADMP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000580760048 491744623 /nfs/dbraw/zinc/74/46/23/491744623.db2.gz GKKQUYNXPHTXRD-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000580760048 491744625 /nfs/dbraw/zinc/74/46/25/491744625.db2.gz GKKQUYNXPHTXRD-UHFFFAOYSA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000580824229 491747264 /nfs/dbraw/zinc/74/72/64/491747264.db2.gz ZKODBXWRBKYNMR-BFYDXBDKSA-N 2 1 366.506 0.202 20 0 FCADMP C[N@@H+](C[C@@H](O)CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889304 491750284 /nfs/dbraw/zinc/75/02/84/491750284.db2.gz WNSSGHWRAONNKN-FQEVSTJZSA-N 2 1 374.529 0.929 20 0 FCADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889304 491750285 /nfs/dbraw/zinc/75/02/85/491750285.db2.gz WNSSGHWRAONNKN-FQEVSTJZSA-N 2 1 374.529 0.929 20 0 FCADMP Cc1cc(N2CCC(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000581189563 491763174 /nfs/dbraw/zinc/76/31/74/491763174.db2.gz XTBZVURENFPWGN-HNNXBMFYSA-N 2 1 360.462 0.047 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)CCCO1 ZINC000581331424 491769119 /nfs/dbraw/zinc/76/91/19/491769119.db2.gz QYOMUJBIKIWSBN-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CCCO1 ZINC000581331424 491769120 /nfs/dbraw/zinc/76/91/20/491769120.db2.gz QYOMUJBIKIWSBN-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CCCO1 ZINC000581331424 491769122 /nfs/dbraw/zinc/76/91/22/491769122.db2.gz QYOMUJBIKIWSBN-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000581400596 491771578 /nfs/dbraw/zinc/77/15/78/491771578.db2.gz SSDBGPBFMOPPDF-CQSZACIVSA-N 2 1 364.494 0.933 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581500299 491775467 /nfs/dbraw/zinc/77/54/67/491775467.db2.gz MRIFWGZZHOSEHE-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581500299 491775468 /nfs/dbraw/zinc/77/54/68/491775468.db2.gz MRIFWGZZHOSEHE-WBVHZDCISA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000581538710 491776836 /nfs/dbraw/zinc/77/68/36/491776836.db2.gz RMXUWNWQSJSQPE-HNNXBMFYSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000581538710 491776838 /nfs/dbraw/zinc/77/68/38/491776838.db2.gz RMXUWNWQSJSQPE-HNNXBMFYSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581551120 491777565 /nfs/dbraw/zinc/77/75/65/491777565.db2.gz BJCFGEYZTPALMQ-QUCCMNQESA-N 2 1 371.529 0.703 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000581716701 491783760 /nfs/dbraw/zinc/78/37/60/491783760.db2.gz QERITQCUUOAIPW-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000581716701 491783762 /nfs/dbraw/zinc/78/37/62/491783762.db2.gz QERITQCUUOAIPW-CVEARBPZSA-N 2 1 368.522 0.281 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582063063 491796317 /nfs/dbraw/zinc/79/63/17/491796317.db2.gz NSMDFTJIKVTCCJ-STQMWFEESA-N 2 1 352.460 0.204 20 0 FCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582063063 491796318 /nfs/dbraw/zinc/79/63/18/491796318.db2.gz NSMDFTJIKVTCCJ-STQMWFEESA-N 2 1 352.460 0.204 20 0 FCADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000591412589 491805026 /nfs/dbraw/zinc/80/50/26/491805026.db2.gz BTJGYHFUSPXZGL-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000591412589 491805028 /nfs/dbraw/zinc/80/50/28/491805028.db2.gz BTJGYHFUSPXZGL-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000591412589 491805029 /nfs/dbraw/zinc/80/50/29/491805029.db2.gz BTJGYHFUSPXZGL-HNNXBMFYSA-N 2 1 353.511 0.747 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000582295373 491806205 /nfs/dbraw/zinc/80/62/05/491806205.db2.gz DUWHLHYWNVGDFD-CVEARBPZSA-N 2 1 372.469 0.828 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000582485573 491814492 /nfs/dbraw/zinc/81/44/92/491814492.db2.gz SNTPXUAYWGLLBR-IYBDPMFKSA-N 2 1 363.510 0.258 20 0 FCADMP CS(=O)(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000591718872 491822142 /nfs/dbraw/zinc/82/21/42/491822142.db2.gz KJJHFNXWAFLLIX-HNNXBMFYSA-N 2 1 368.503 0.735 20 0 FCADMP CS(=O)(=O)Nc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000591718872 491822143 /nfs/dbraw/zinc/82/21/43/491822143.db2.gz KJJHFNXWAFLLIX-HNNXBMFYSA-N 2 1 368.503 0.735 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC000582739148 491824954 /nfs/dbraw/zinc/82/49/54/491824954.db2.gz SLMCBLPQFVTFOP-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC000582739148 491824955 /nfs/dbraw/zinc/82/49/55/491824955.db2.gz SLMCBLPQFVTFOP-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC000582739148 491824956 /nfs/dbraw/zinc/82/49/56/491824956.db2.gz SLMCBLPQFVTFOP-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000583035058 491836808 /nfs/dbraw/zinc/83/68/08/491836808.db2.gz TXAVJEPHOUIJNT-GOSISDBHSA-N 2 1 371.485 0.594 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+](C)C1 ZINC000583552072 491847372 /nfs/dbraw/zinc/84/73/72/491847372.db2.gz CDHBBKXEAUNQMO-ZWKOTPCHSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552072 491847373 /nfs/dbraw/zinc/84/73/73/491847373.db2.gz CDHBBKXEAUNQMO-ZWKOTPCHSA-N 2 1 374.485 0.857 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+](C)C1 ZINC000583552072 491847374 /nfs/dbraw/zinc/84/73/74/491847374.db2.gz CDHBBKXEAUNQMO-ZWKOTPCHSA-N 2 1 374.485 0.857 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1C[C@H](C)N(C[C@@H](O)C[N@H+](C)CC)CC1(C)C ZINC000583761303 491851476 /nfs/dbraw/zinc/85/14/76/491851476.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@H](O)C[N@H+](C)CC)C[C@@H]1C ZINC000583761303 491851477 /nfs/dbraw/zinc/85/14/77/491851477.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 2 1 358.571 0.396 20 0 FCADMP CC[NH+](C)C[C@H](O)CN1CC(C)(C)N(C[C@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000583761303 491851478 /nfs/dbraw/zinc/85/14/78/491851478.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 2 1 358.571 0.396 20 0 FCADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850461 491853323 /nfs/dbraw/zinc/85/33/23/491853323.db2.gz MWTXLVWGYVKXFR-UKRRQHHQSA-N 2 1 359.492 0.266 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000583899211 491854468 /nfs/dbraw/zinc/85/44/68/491854468.db2.gz FTVMBJKKBNXWPM-OAHLLOKOSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000583899211 491854469 /nfs/dbraw/zinc/85/44/69/491854469.db2.gz FTVMBJKKBNXWPM-OAHLLOKOSA-N 2 1 364.490 0.076 20 0 FCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584147159 491859530 /nfs/dbraw/zinc/85/95/30/491859530.db2.gz PCPWIXOQTOFGRL-OXQOHEQNSA-N 2 1 371.485 0.721 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000611651034 491865756 /nfs/dbraw/zinc/86/57/56/491865756.db2.gz UASRGAVNSSLQAY-VYDXJSESSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000611673182 491867013 /nfs/dbraw/zinc/86/70/13/491867013.db2.gz KGEWJXGKCZDBDT-JYJNAYRXSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000611673182 491867014 /nfs/dbraw/zinc/86/70/14/491867014.db2.gz KGEWJXGKCZDBDT-JYJNAYRXSA-N 2 1 354.495 0.058 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000594988524 491875315 /nfs/dbraw/zinc/87/53/15/491875315.db2.gz OLCTZJJBZCHXQR-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594988524 491875316 /nfs/dbraw/zinc/87/53/16/491875316.db2.gz OLCTZJJBZCHXQR-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594988524 491875317 /nfs/dbraw/zinc/87/53/17/491875317.db2.gz OLCTZJJBZCHXQR-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)nn1C ZINC000601029140 491893941 /nfs/dbraw/zinc/89/39/41/491893941.db2.gz JTUKMXSOVSJUSW-CQSZACIVSA-N 2 1 365.478 0.695 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595266490 491909368 /nfs/dbraw/zinc/90/93/68/491909368.db2.gz WYSUCGSMPHZBKX-XUWVNRHRSA-N 2 1 351.495 0.308 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000612545352 491931387 /nfs/dbraw/zinc/93/13/87/491931387.db2.gz KDHUZKWCZCZVLO-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000612545352 491931389 /nfs/dbraw/zinc/93/13/89/491931389.db2.gz KDHUZKWCZCZVLO-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000612548709 491933245 /nfs/dbraw/zinc/93/32/45/491933245.db2.gz QIEYXWDOWRRFOT-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000612591250 491935692 /nfs/dbraw/zinc/93/56/92/491935692.db2.gz INCMNVNNYUNNBY-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000612597676 491937483 /nfs/dbraw/zinc/93/74/83/491937483.db2.gz JZNPUAMRYAJCLP-VYDXJSESSA-N 2 1 366.506 0.297 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000612597676 491937484 /nfs/dbraw/zinc/93/74/84/491937484.db2.gz JZNPUAMRYAJCLP-VYDXJSESSA-N 2 1 366.506 0.297 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599628 491938031 /nfs/dbraw/zinc/93/80/31/491938031.db2.gz ZQSMTANEXCCTSS-DOTOQJQBSA-N 2 1 366.506 0.156 20 0 FCADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896742 491959789 /nfs/dbraw/zinc/95/97/89/491959789.db2.gz WYCIKPJPXWRKRS-VGWMRTNUSA-N 2 1 353.463 0.369 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612968220 491960344 /nfs/dbraw/zinc/96/03/44/491960344.db2.gz WDFYMAINRTVLMU-HNNXBMFYSA-N 2 1 351.495 0.418 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957834 491965269 /nfs/dbraw/zinc/96/52/69/491965269.db2.gz XXUHHSRMEKUYMH-FZMZJTMJSA-N 2 1 351.369 0.624 20 0 FCADMP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595977506 491967534 /nfs/dbraw/zinc/96/75/34/491967534.db2.gz LMMCVCQHBAVWAJ-DOTOQJQBSA-N 2 1 374.533 0.960 20 0 FCADMP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595977506 491967537 /nfs/dbraw/zinc/96/75/37/491967537.db2.gz LMMCVCQHBAVWAJ-DOTOQJQBSA-N 2 1 374.533 0.960 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000613659970 491990193 /nfs/dbraw/zinc/99/01/93/491990193.db2.gz GHDJALSNWXFTMU-MWDXBVQZSA-N 2 1 350.507 0.918 20 0 FCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613996129 492009129 /nfs/dbraw/zinc/00/91/29/492009129.db2.gz PXHKIFDWZQQMJR-OALUTQOASA-N 2 1 372.513 0.881 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000615231638 492080170 /nfs/dbraw/zinc/08/01/70/492080170.db2.gz UBURYDFEAPXAJJ-ULQDDVLXSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000615231638 492080172 /nfs/dbraw/zinc/08/01/72/492080172.db2.gz UBURYDFEAPXAJJ-ULQDDVLXSA-N 2 1 368.522 0.401 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000605882062 492104869 /nfs/dbraw/zinc/10/48/69/492104869.db2.gz NZEVCDQTAWXMQI-INIZCTEOSA-N 2 1 354.495 0.651 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605974465 492109642 /nfs/dbraw/zinc/10/96/42/492109642.db2.gz JJCCUMUZZKOZLR-HNNXBMFYSA-N 2 1 356.536 0.835 20 0 FCADMP C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665585 492126193 /nfs/dbraw/zinc/12/61/93/492126193.db2.gz HOKCZPMVXGAOSK-NVXWUHKLSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000606691940 492126687 /nfs/dbraw/zinc/12/66/87/492126687.db2.gz DOUJGETYRIGDFE-SJLPKXTDSA-N 2 1 367.538 0.422 20 0 FCADMP COC(=O)CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000599156449 492138569 /nfs/dbraw/zinc/13/85/69/492138569.db2.gz CXMKGKUJJFEGHN-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000599156449 492138571 /nfs/dbraw/zinc/13/85/71/492138571.db2.gz CXMKGKUJJFEGHN-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000599156449 492138572 /nfs/dbraw/zinc/13/85/72/492138572.db2.gz CXMKGKUJJFEGHN-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000599156449 492138574 /nfs/dbraw/zinc/13/85/74/492138574.db2.gz CXMKGKUJJFEGHN-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000599156449 492138575 /nfs/dbraw/zinc/13/85/75/492138575.db2.gz CXMKGKUJJFEGHN-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000607245696 492142297 /nfs/dbraw/zinc/14/22/97/492142297.db2.gz YTEAFQBCGNRGBN-IAGOWNOFSA-N 2 1 370.538 0.879 20 0 FCADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687412 492186265 /nfs/dbraw/zinc/18/62/65/492186265.db2.gz KKKPXKXKVCMDQW-GOSISDBHSA-N 2 1 367.538 0.567 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627469648 492309017 /nfs/dbraw/zinc/30/90/17/492309017.db2.gz ATJBDFPYDGZJOW-ROUUACIJSA-N 2 1 374.485 0.214 20 0 FCADMP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627469647 492309440 /nfs/dbraw/zinc/30/94/40/492309440.db2.gz ATJBDFPYDGZJOW-QZTJIDSGSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627480391 492316636 /nfs/dbraw/zinc/31/66/36/492316636.db2.gz OQYLNCWUJRLRDG-SJLPKXTDSA-N 2 1 358.486 0.630 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000627501366 492325168 /nfs/dbraw/zinc/32/51/68/492325168.db2.gz HPTIDQGKDKFOCD-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000627501366 492325172 /nfs/dbraw/zinc/32/51/72/492325172.db2.gz HPTIDQGKDKFOCD-DOTOQJQBSA-N 2 1 358.486 0.976 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000647597332 492331983 /nfs/dbraw/zinc/33/19/83/492331983.db2.gz DPNPAANIDGELII-JKSUJKDBSA-N 2 1 367.538 0.245 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000642101795 492335342 /nfs/dbraw/zinc/33/53/42/492335342.db2.gz OQLRKMLEWNBXAC-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654693601 492340965 /nfs/dbraw/zinc/34/09/65/492340965.db2.gz HTPCALTXYOHDLD-INIZCTEOSA-N 2 1 364.494 0.117 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654736437 492345532 /nfs/dbraw/zinc/34/55/32/492345532.db2.gz AFBLEAMRBYPNEU-ROUUACIJSA-N 2 1 368.522 0.992 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654736437 492345538 /nfs/dbraw/zinc/34/55/38/492345538.db2.gz AFBLEAMRBYPNEU-ROUUACIJSA-N 2 1 368.522 0.992 20 0 FCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000642254047 492345844 /nfs/dbraw/zinc/34/58/44/492345844.db2.gz ZZWGOIXOAXTKAN-WMZOPIPTSA-N 2 1 358.486 0.868 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000642253635 492345975 /nfs/dbraw/zinc/34/59/75/492345975.db2.gz CHIUPFVOHPITNH-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000642322085 492350343 /nfs/dbraw/zinc/35/03/43/492350343.db2.gz HLUIGYNJDKPIFN-WMLDXEAASA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330393 492352244 /nfs/dbraw/zinc/35/22/44/492352244.db2.gz DDYPIASYIDIATP-QXSJWSMHSA-N 2 1 368.522 0.434 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H](C)O1 ZINC000642394755 492356849 /nfs/dbraw/zinc/35/68/49/492356849.db2.gz PFKNDPOOLCIDDL-LVQVYYBASA-N 2 1 366.506 0.201 20 0 FCADMP CCN(CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000634642641 492357380 /nfs/dbraw/zinc/35/73/80/492357380.db2.gz NRYDWGNELMOWEY-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP CCN(CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000634642641 492357382 /nfs/dbraw/zinc/35/73/82/492357382.db2.gz NRYDWGNELMOWEY-SFHVURJKSA-N 2 1 369.531 0.885 20 0 FCADMP CN1C(=O)N[C@@]2(CCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357699 /nfs/dbraw/zinc/35/76/99/492357699.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@@]2(CC[N@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357701 /nfs/dbraw/zinc/35/77/01/492357701.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 1 358.442 0.250 20 0 FCADMP CN1C(=O)N[C@@]2(CC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357704 /nfs/dbraw/zinc/35/77/04/492357704.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 1 358.442 0.250 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1=O ZINC000621153061 492359644 /nfs/dbraw/zinc/35/96/44/492359644.db2.gz JZUCXPCROOJFLN-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP O=S1(=O)CCCN1CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702392 492360437 /nfs/dbraw/zinc/36/04/37/492360437.db2.gz GMCXZBUWNJQFMM-SFHVURJKSA-N 2 1 367.515 0.639 20 0 FCADMP O=S1(=O)CCCN1CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702392 492360440 /nfs/dbraw/zinc/36/04/40/492360440.db2.gz GMCXZBUWNJQFMM-SFHVURJKSA-N 2 1 367.515 0.639 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703079 492360786 /nfs/dbraw/zinc/36/07/86/492360786.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703079 492360789 /nfs/dbraw/zinc/36/07/89/492360789.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 2 1 374.529 0.800 20 0 FCADMP NC(=O)[C@H]1CCC[NH+](CCCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703079 492360792 /nfs/dbraw/zinc/36/07/92/492360792.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 2 1 374.529 0.800 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000647818320 492364579 /nfs/dbraw/zinc/36/45/79/492364579.db2.gz MTXYNYZRFZATQG-GVDBMIGSSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H]1C[NH3+] ZINC000647820915 492364672 /nfs/dbraw/zinc/36/46/72/492364672.db2.gz MCJHXMROEMZCQF-IXDOHACOSA-N 2 1 366.506 0.286 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000642648084 492369891 /nfs/dbraw/zinc/36/98/91/492369891.db2.gz MERNRWWDLXVEAQ-XIRDDKMYSA-N 2 1 366.506 0.474 20 0 FCADMP C[N@@H+](CCC[NH3+])CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000647849551 492370799 /nfs/dbraw/zinc/37/07/99/492370799.db2.gz YAOVXVCLXUVDDD-UHFFFAOYSA-N 2 1 357.476 0.367 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642680239 492371499 /nfs/dbraw/zinc/37/14/99/492371499.db2.gz KXPGDRSFAINFAE-CGTJXYLNSA-N 2 1 374.485 0.342 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000642680474 492372977 /nfs/dbraw/zinc/37/29/77/492372977.db2.gz ISQRBRVLTPIHQH-LBPRGKRZSA-N 2 1 352.401 0.635 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000642680474 492372980 /nfs/dbraw/zinc/37/29/80/492372980.db2.gz ISQRBRVLTPIHQH-LBPRGKRZSA-N 2 1 352.401 0.635 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642723182 492379642 /nfs/dbraw/zinc/37/96/42/492379642.db2.gz VOWDANWUDVRXBD-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642723182 492379645 /nfs/dbraw/zinc/37/96/45/492379645.db2.gz VOWDANWUDVRXBD-QAPCUYQASA-N 2 1 358.486 0.747 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000642728636 492381664 /nfs/dbraw/zinc/38/16/64/492381664.db2.gz OCFPCACCZTVUQX-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728636 492381668 /nfs/dbraw/zinc/38/16/68/492381668.db2.gz OCFPCACCZTVUQX-DOTOQJQBSA-N 2 1 362.474 0.199 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642732202 492382672 /nfs/dbraw/zinc/38/26/72/492382672.db2.gz YEXQVEHDSRCGQA-MRXNPFEDSA-N 2 1 350.507 0.827 20 0 FCADMP CC1([NH3+])CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000642732933 492383094 /nfs/dbraw/zinc/38/30/94/492383094.db2.gz GAPHGQBRKFAZCW-UHFFFAOYSA-N 2 1 358.486 0.891 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000642750488 492384523 /nfs/dbraw/zinc/38/45/23/492384523.db2.gz FODMATWKRAWVJN-JYJNAYRXSA-N 2 1 354.495 0.332 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744916 492384821 /nfs/dbraw/zinc/38/48/21/492384821.db2.gz NGIXQMDAILKGTJ-SZMVWBNQSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744916 492384824 /nfs/dbraw/zinc/38/48/24/492384824.db2.gz NGIXQMDAILKGTJ-SZMVWBNQSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642750509 492385344 /nfs/dbraw/zinc/38/53/44/492385344.db2.gz NNQXRPSBVKZUIX-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000647937335 492386045 /nfs/dbraw/zinc/38/60/45/492386045.db2.gz VZAZWOQUZTWECF-WBVHZDCISA-N 2 1 350.507 0.907 20 0 FCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000647937335 492386048 /nfs/dbraw/zinc/38/60/48/492386048.db2.gz VZAZWOQUZTWECF-WBVHZDCISA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642759537 492386410 /nfs/dbraw/zinc/38/64/10/492386410.db2.gz LLLDPJOXRNLFHO-RDJZCZTQSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642759552 492386789 /nfs/dbraw/zinc/38/67/89/492386789.db2.gz OLTITRPAYABPDB-XGXHKWSGSA-N 2 1 370.497 0.834 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000642778693 492389480 /nfs/dbraw/zinc/38/94/80/492389480.db2.gz CZMSWQAFDWBXJL-DOTOQJQBSA-N 2 1 371.485 0.817 20 0 FCADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000647988390 492391198 /nfs/dbraw/zinc/39/11/98/492391198.db2.gz CUFNLPRVMCPNRL-ZDUSSCGKSA-N 2 1 354.476 0.149 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000642808946 492396579 /nfs/dbraw/zinc/39/65/79/492396579.db2.gz LSAQJKHXACRDEA-NVXWUHKLSA-N 2 1 362.449 0.584 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642908241 492401248 /nfs/dbraw/zinc/40/12/48/492401248.db2.gz MEIHWTYYWFOAPL-SZMVWBNQSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000642910323 492402554 /nfs/dbraw/zinc/40/25/54/492402554.db2.gz DPBFEQGNJHTMKL-OXJNMPFZSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000648130322 492404705 /nfs/dbraw/zinc/40/47/05/492404705.db2.gz ZDCVRFVYBKCUER-DLBZAZTESA-N 2 1 366.506 0.287 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000642922020 492404879 /nfs/dbraw/zinc/40/48/79/492404879.db2.gz FGYKXMIUSAGGEO-AEFFLSMTSA-N 2 1 358.486 0.835 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000642982015 492410059 /nfs/dbraw/zinc/41/00/59/492410059.db2.gz NSHKIMVRLLLEPJ-WMZOPIPTSA-N 2 1 356.470 0.849 20 0 FCADMP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000642982244 492410144 /nfs/dbraw/zinc/41/01/44/492410144.db2.gz RVNOUVCZFFJIOU-OTWHNJEPSA-N 2 1 370.497 0.835 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000642989652 492411892 /nfs/dbraw/zinc/41/18/92/492411892.db2.gz BSHQYPJRDHXADV-BQJWPVKWSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000642989652 492411898 /nfs/dbraw/zinc/41/18/98/492411898.db2.gz BSHQYPJRDHXADV-BQJWPVKWSA-N 2 1 366.506 0.343 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642988413 492411972 /nfs/dbraw/zinc/41/19/72/492411972.db2.gz WINUTCNHSBKQOZ-WBVHZDCISA-N 2 1 367.538 0.247 20 0 FCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642988413 492411976 /nfs/dbraw/zinc/41/19/76/492411976.db2.gz WINUTCNHSBKQOZ-WBVHZDCISA-N 2 1 367.538 0.247 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(=O)[nH]c1=O ZINC000643061208 492417027 /nfs/dbraw/zinc/41/70/27/492417027.db2.gz NZYONNHDQHUXTL-ZDUSSCGKSA-N 2 1 363.462 0.588 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621841625 492423708 /nfs/dbraw/zinc/42/37/08/492423708.db2.gz XUGNLXLZPKRYBQ-JTDSTZFVSA-N 2 1 350.507 0.810 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)c1 ZINC000622026045 492442183 /nfs/dbraw/zinc/44/21/83/492442183.db2.gz CFJQRGVWSJSUGY-DNVCBOLYSA-N 2 1 357.458 0.378 20 0 FCADMP O=C(CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000655446823 492444029 /nfs/dbraw/zinc/44/40/29/492444029.db2.gz CAYYCEPUSPVYBC-RXVVDRJESA-N 2 1 370.497 0.837 20 0 FCADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622031798 492445954 /nfs/dbraw/zinc/44/59/54/492445954.db2.gz UGVFZJBQSXEAAV-DNVCBOLYSA-N 2 1 362.474 0.900 20 0 FCADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000643419446 492454198 /nfs/dbraw/zinc/45/41/98/492454198.db2.gz IXVSCHULAMRAEH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000643419446 492454201 /nfs/dbraw/zinc/45/42/01/492454201.db2.gz IXVSCHULAMRAEH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000643419446 492454208 /nfs/dbraw/zinc/45/42/08/492454208.db2.gz IXVSCHULAMRAEH-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655556309 492455805 /nfs/dbraw/zinc/45/58/05/492455805.db2.gz HPAROSZRMGMYRR-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552410 492456525 /nfs/dbraw/zinc/45/65/25/492456525.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552410 492456528 /nfs/dbraw/zinc/45/65/28/492456528.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552410 492456530 /nfs/dbraw/zinc/45/65/30/492456530.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552410 492456534 /nfs/dbraw/zinc/45/65/34/492456534.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552410 492456536 /nfs/dbraw/zinc/45/65/36/492456536.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 2 1 367.538 0.301 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000655556561 492456606 /nfs/dbraw/zinc/45/66/06/492456606.db2.gz UFEZBVYMBDRHHT-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP C[NH+]1CCN(C[C@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512573 492462934 /nfs/dbraw/zinc/46/29/34/492462934.db2.gz OAHIQUKEALONEW-ROUUACIJSA-N 2 1 350.507 0.478 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643494158 492481707 /nfs/dbraw/zinc/48/17/07/492481707.db2.gz MDPXARJHTATZNP-SJORKVTESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643494345 492481774 /nfs/dbraw/zinc/48/17/74/492481774.db2.gz YPNXYPVFRJBXHI-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000643498021 492482276 /nfs/dbraw/zinc/48/22/76/492482276.db2.gz IKBMGINTKRLBQL-NRKLIOEPSA-N 2 1 366.506 0.282 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000643503513 492483848 /nfs/dbraw/zinc/48/38/48/492483848.db2.gz LNUYVVJIFPJITO-GDBMZVCRSA-N 2 1 352.479 0.038 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643532533 492492848 /nfs/dbraw/zinc/49/28/48/492492848.db2.gz SCTCENOPJSIGHG-RCCFBDPRSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000643549775 492496920 /nfs/dbraw/zinc/49/69/20/492496920.db2.gz OTVPMSLWVOBUOV-NXHRZFHOSA-N 2 1 362.518 0.918 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643549938 492497671 /nfs/dbraw/zinc/49/76/71/492497671.db2.gz BVIUXGKLUJQYKL-SIUPPRGNSA-N 2 1 374.460 0.631 20 0 FCADMP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000649283048 492520993 /nfs/dbraw/zinc/52/09/93/492520993.db2.gz CJKKWMQHHZEMPA-KRWDZBQOSA-N 2 1 354.458 0.813 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649287512 492522424 /nfs/dbraw/zinc/52/24/24/492522424.db2.gz MOSPDJIIPVXSOC-AWEZNQCLSA-N 2 1 360.449 0.634 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649287512 492522427 /nfs/dbraw/zinc/52/24/27/492522427.db2.gz MOSPDJIIPVXSOC-AWEZNQCLSA-N 2 1 360.449 0.634 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000649332200 492536707 /nfs/dbraw/zinc/53/67/07/492536707.db2.gz FXURGEVAHRLMGZ-AWEZNQCLSA-N 2 1 357.418 0.565 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335526 492537518 /nfs/dbraw/zinc/53/75/18/492537518.db2.gz IJRSMBMKFSZJGM-GJZGRUSLSA-N 2 1 367.444 0.953 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649335528 492537978 /nfs/dbraw/zinc/53/79/78/492537978.db2.gz IJRSMBMKFSZJGM-LSDHHAIUSA-N 2 1 367.444 0.953 20 0 FCADMP C[N@@H+](CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)CC(C)(C)C ZINC000636023334 492540888 /nfs/dbraw/zinc/54/08/88/492540888.db2.gz GWDUXGNDCXKGGY-UHFFFAOYSA-N 2 1 354.539 0.877 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000649352416 492546245 /nfs/dbraw/zinc/54/62/45/492546245.db2.gz QOPLGFOKFLYILK-GASCZTMLSA-N 2 1 359.474 0.573 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649352194 492546309 /nfs/dbraw/zinc/54/63/09/492546309.db2.gz AYBGSGIVQOIRIS-DZFIZOCASA-N 2 1 371.485 0.301 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000649410671 492552437 /nfs/dbraw/zinc/55/24/37/492552437.db2.gz MONQKLMUMKGPHS-PKOBYXMFSA-N 2 1 360.502 0.687 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656299094 492576879 /nfs/dbraw/zinc/57/68/79/492576879.db2.gz XAHNSNQWMGDNES-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656299094 492576883 /nfs/dbraw/zinc/57/68/83/492576883.db2.gz XAHNSNQWMGDNES-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656299094 492576886 /nfs/dbraw/zinc/57/68/86/492576886.db2.gz XAHNSNQWMGDNES-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656300832 492577012 /nfs/dbraw/zinc/57/70/12/492577012.db2.gz DLUIRNBYJKAETE-IAGOWNOFSA-N 2 1 366.506 0.347 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656301131 492578325 /nfs/dbraw/zinc/57/83/25/492578325.db2.gz HVDMFLSMHMDBOW-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+](C)CCn1ncc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1-c1ccccc1 ZINC000629168893 492582662 /nfs/dbraw/zinc/58/26/62/492582662.db2.gz HVASMCQWPYWXMI-QGZVFWFLSA-N 2 1 371.485 0.908 20 0 FCADMP CN(C)c1ncc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1C ZINC000656311770 492585637 /nfs/dbraw/zinc/58/56/37/492585637.db2.gz HTCCXWKAOUMTCV-LSDHHAIUSA-N 2 1 362.478 0.235 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656336890 492600473 /nfs/dbraw/zinc/60/04/73/492600473.db2.gz DLHMDGCBHUHFGU-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656336890 492600476 /nfs/dbraw/zinc/60/04/76/492600476.db2.gz DLHMDGCBHUHFGU-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656336890 492600481 /nfs/dbraw/zinc/60/04/81/492600481.db2.gz DLHMDGCBHUHFGU-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(CC[NH+]3CCN(C)CC3)nn2)c1 ZINC000656437641 492622078 /nfs/dbraw/zinc/62/20/78/492622078.db2.gz BUDBAIVBYJEBFT-UHFFFAOYSA-N 2 1 357.462 0.350 20 0 FCADMP CC[NH+](CC(=O)N1CC2CN(C(=O)C[N@H+](CC)C3CC3)CC2C1)C1CC1 ZINC000650399869 492638566 /nfs/dbraw/zinc/63/85/66/492638566.db2.gz DOTIZUDCTGPWNW-UHFFFAOYSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(N1CCNCC1)N1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000629547666 492643591 /nfs/dbraw/zinc/64/35/91/492643591.db2.gz UBZDHPJSESKADQ-KRWDZBQOSA-N 2 1 363.506 0.563 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071126 492643869 /nfs/dbraw/zinc/64/38/69/492643869.db2.gz WUDSOVOVJFJFDK-ZGXWSNOMSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000644071126 492643872 /nfs/dbraw/zinc/64/38/72/492643872.db2.gz WUDSOVOVJFJFDK-ZGXWSNOMSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000644071126 492643874 /nfs/dbraw/zinc/64/38/74/492643874.db2.gz WUDSOVOVJFJFDK-ZGXWSNOMSA-N 2 1 373.497 0.991 20 0 FCADMP O=C(N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000644071126 492643876 /nfs/dbraw/zinc/64/38/76/492643876.db2.gz WUDSOVOVJFJFDK-ZGXWSNOMSA-N 2 1 373.497 0.991 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561738 492645800 /nfs/dbraw/zinc/64/58/00/492645800.db2.gz ZCZORRHYDHXAQN-UXHICEINSA-N 2 1 374.529 0.930 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000644195562 492666193 /nfs/dbraw/zinc/66/61/93/492666193.db2.gz DAFYYNOVVWCBDQ-INIZCTEOSA-N 2 1 373.501 0.677 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000644195562 492666197 /nfs/dbraw/zinc/66/61/97/492666197.db2.gz DAFYYNOVVWCBDQ-INIZCTEOSA-N 2 1 373.501 0.677 20 0 FCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226390 492672737 /nfs/dbraw/zinc/67/27/37/492672737.db2.gz GQAHWRFFAZINCN-OKZBNKHCSA-N 2 1 356.470 0.669 20 0 FCADMP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644225680 492673191 /nfs/dbraw/zinc/67/31/91/492673191.db2.gz HLNBESPZIIRFFN-IPMKNSEASA-N 2 1 370.497 0.978 20 0 FCADMP O=C(C[C@@]1(O)CCC[NH+](Cc2ccccc2)C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917592 492704427 /nfs/dbraw/zinc/70/44/27/492704427.db2.gz GNSZHLHTJVVWFZ-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CC[C@H](O)C1 ZINC000629917592 492704431 /nfs/dbraw/zinc/70/44/31/492704431.db2.gz GNSZHLHTJVVWFZ-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP O=C(C[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CC[C@H](O)C1 ZINC000629917592 492704435 /nfs/dbraw/zinc/70/44/35/492704435.db2.gz GNSZHLHTJVVWFZ-ICSRJNTNSA-N 2 1 361.486 0.586 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC[N@H+]1C ZINC000636843861 492707452 /nfs/dbraw/zinc/70/74/52/492707452.db2.gz MIWGLSZTCRFHEX-RKVPGOIHSA-N 2 1 354.495 0.384 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630732423 492770720 /nfs/dbraw/zinc/77/07/20/492770720.db2.gz VBKYRTZNTOEAFP-UHFFFAOYSA-N 2 1 364.494 0.165 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000630825447 492777675 /nfs/dbraw/zinc/77/76/75/492777675.db2.gz HBEXZHLZNMIBIA-LTCOOKNTSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000630825447 492777682 /nfs/dbraw/zinc/77/76/82/492777682.db2.gz HBEXZHLZNMIBIA-LTCOOKNTSA-N 2 1 360.502 0.718 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000630825447 492777686 /nfs/dbraw/zinc/77/76/86/492777686.db2.gz HBEXZHLZNMIBIA-LTCOOKNTSA-N 2 1 360.502 0.718 20 0 FCADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000644528650 492782751 /nfs/dbraw/zinc/78/27/51/492782751.db2.gz HMBQUFGYHNHINY-OAHLLOKOSA-N 2 1 361.442 0.344 20 0 FCADMP C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000631163205 492801842 /nfs/dbraw/zinc/80/18/42/492801842.db2.gz LTOLLPGXYPYZEX-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000631163205 492801844 /nfs/dbraw/zinc/80/18/44/492801844.db2.gz LTOLLPGXYPYZEX-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000631163205 492801845 /nfs/dbraw/zinc/80/18/45/492801845.db2.gz LTOLLPGXYPYZEX-USTZCAOPSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+](C2CC2)C1 ZINC000637373153 492812819 /nfs/dbraw/zinc/81/28/19/492812819.db2.gz NDZIKCCUWHZAMP-ZBFHGGJFSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+](C2CC2)C1 ZINC000637373153 492812824 /nfs/dbraw/zinc/81/28/24/492812824.db2.gz NDZIKCCUWHZAMP-ZBFHGGJFSA-N 2 1 351.495 0.452 20 0 FCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+](C2CC2)C1 ZINC000637373153 492812827 /nfs/dbraw/zinc/81/28/27/492812827.db2.gz NDZIKCCUWHZAMP-ZBFHGGJFSA-N 2 1 351.495 0.452 20 0 FCADMP CN(CCN1CCOC(C)(C)C1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373795 492813791 /nfs/dbraw/zinc/81/37/91/492813791.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 1 369.510 0.078 20 0 FCADMP CN(CCN1CCOC(C)(C)C1)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000637373795 492813797 /nfs/dbraw/zinc/81/37/97/492813797.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 1 369.510 0.078 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377068 492816096 /nfs/dbraw/zinc/81/60/96/492816096.db2.gz VBHITJVESZQJMI-OAGGEKHMSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377068 492816098 /nfs/dbraw/zinc/81/60/98/492816098.db2.gz VBHITJVESZQJMI-OAGGEKHMSA-N 2 1 353.511 0.840 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000637377068 492816102 /nfs/dbraw/zinc/81/61/02/492816102.db2.gz VBHITJVESZQJMI-OAGGEKHMSA-N 2 1 353.511 0.840 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000658120686 492841173 /nfs/dbraw/zinc/84/11/73/492841173.db2.gz XKILLYMSVXIDKT-AWEZNQCLSA-N 2 1 364.494 0.620 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)nn1 ZINC000631846478 492861147 /nfs/dbraw/zinc/86/11/47/492861147.db2.gz CPEPPSMESLPARH-DGCLKSJQSA-N 2 1 360.384 0.785 20 0 FCADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)nn1 ZINC000631846478 492861150 /nfs/dbraw/zinc/86/11/50/492861150.db2.gz CPEPPSMESLPARH-DGCLKSJQSA-N 2 1 360.384 0.785 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000631910319 492876664 /nfs/dbraw/zinc/87/66/64/492876664.db2.gz ZYWCQKHSQGXPOL-INIZCTEOSA-N 2 1 358.483 0.947 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000631911691 492878171 /nfs/dbraw/zinc/87/81/71/492878171.db2.gz OKIVOWSWXIKDOX-UHFFFAOYSA-N 2 1 352.504 0.563 20 0 FCADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000631911691 492878176 /nfs/dbraw/zinc/87/81/76/492878176.db2.gz OKIVOWSWXIKDOX-UHFFFAOYSA-N 2 1 352.504 0.563 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652129529 492883776 /nfs/dbraw/zinc/88/37/76/492883776.db2.gz ICLNUBZJUHNQLV-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H](CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[NH+](C)C ZINC000658426099 492884906 /nfs/dbraw/zinc/88/49/06/492884906.db2.gz VSDKMQLVCXMFOS-ZDUSSCGKSA-N 2 1 363.462 0.582 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C[NH+]1CCOCC1 ZINC000652155421 492889127 /nfs/dbraw/zinc/88/91/27/492889127.db2.gz CXVGVPACBJIQMR-XDNAFOTISA-N 2 1 368.522 0.883 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638094579 492904977 /nfs/dbraw/zinc/90/49/77/492904977.db2.gz KAODVUAYSDPTAO-FXAWDEMLSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@H](CC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[NH+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973246 492909927 /nfs/dbraw/zinc/90/99/27/492909927.db2.gz RFQZKGGKARQVTE-OBKDMQGPSA-N 2 1 372.550 0.391 20 0 FCADMP C[C@H](CC[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973246 492909931 /nfs/dbraw/zinc/90/99/31/492909931.db2.gz RFQZKGGKARQVTE-OBKDMQGPSA-N 2 1 372.550 0.391 20 0 FCADMP C[C@H](CC[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973246 492909935 /nfs/dbraw/zinc/90/99/35/492909935.db2.gz RFQZKGGKARQVTE-OBKDMQGPSA-N 2 1 372.550 0.391 20 0 FCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652347735 492913039 /nfs/dbraw/zinc/91/30/39/492913039.db2.gz KKCWOXHPBRVJJH-RRFJBIMHSA-N 2 1 352.479 0.925 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652347676 492913192 /nfs/dbraw/zinc/91/31/92/492913192.db2.gz JHGMVRDZTNKOSJ-LEUOFYLZSA-N 2 1 366.506 0.284 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363178 492916282 /nfs/dbraw/zinc/91/62/82/492916282.db2.gz ZNTFFLUYKXQZDZ-KBAYOESNSA-N 3 1 352.523 0.948 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363178 492916286 /nfs/dbraw/zinc/91/62/86/492916286.db2.gz ZNTFFLUYKXQZDZ-KBAYOESNSA-N 2 1 352.523 0.948 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000632073092 492923287 /nfs/dbraw/zinc/92/32/87/492923287.db2.gz TVFOTBVAIFPHAJ-UHFFFAOYSA-N 2 1 372.579 0.904 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)CC1 ZINC000632073092 492923291 /nfs/dbraw/zinc/92/32/91/492923291.db2.gz TVFOTBVAIFPHAJ-UHFFFAOYSA-N 2 1 372.579 0.904 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000652463673 492939632 /nfs/dbraw/zinc/93/96/32/492939632.db2.gz PPPLWIGDOKVCIT-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000645640048 492952520 /nfs/dbraw/zinc/95/25/20/492952520.db2.gz RDKXOHZFJXMUOC-GOSISDBHSA-N 2 1 374.485 0.962 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638753513 492976372 /nfs/dbraw/zinc/97/63/72/492976372.db2.gz XJGLOOABBPIDDB-AEFFLSMTSA-N 2 1 369.473 0.736 20 0 FCADMP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638753515 492976509 /nfs/dbraw/zinc/97/65/09/492976509.db2.gz XJGLOOABBPIDDB-SJLPKXTDSA-N 2 1 369.473 0.736 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632339906 492977676 /nfs/dbraw/zinc/97/76/76/492977676.db2.gz IUYKXHWFHYHHLO-UHFFFAOYSA-N 2 1 370.519 0.926 20 0 FCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836000 492981741 /nfs/dbraw/zinc/98/17/41/492981741.db2.gz PPMHQOKZLIDERA-IEZWGBDMSA-N 2 1 360.502 0.970 20 0 FCADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673712 492984851 /nfs/dbraw/zinc/98/48/51/492984851.db2.gz YSQOENVWSLGNBR-ZHCJQAHYSA-N 2 1 368.522 0.291 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000645925832 492988676 /nfs/dbraw/zinc/98/86/76/492988676.db2.gz UEUSYTWSTOIVSK-INIZCTEOSA-N 2 1 373.501 0.835 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949241 492988937 /nfs/dbraw/zinc/98/89/37/492988937.db2.gz ZJUZUDVAKHYKFZ-QAETUUGQSA-N 2 1 350.507 0.953 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684575 492989844 /nfs/dbraw/zinc/98/98/44/492989844.db2.gz ROWUBUHKKYARPG-QAETUUGQSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[N@@H+](C)C1CC1 ZINC000652686261 492990642 /nfs/dbraw/zinc/99/06/42/492990642.db2.gz CNNULBDTUBYOBB-AESZEHBQSA-N 2 1 366.506 0.330 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)NCCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000652693208 492992326 /nfs/dbraw/zinc/99/23/26/492992326.db2.gz OXVFWEDGPURUJH-UHFFFAOYSA-N 2 1 364.465 0.880 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652695387 492992758 /nfs/dbraw/zinc/99/27/58/492992758.db2.gz SVPCACGSMTURBT-HPFXQQBRSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652695387 492992759 /nfs/dbraw/zinc/99/27/59/492992759.db2.gz SVPCACGSMTURBT-HPFXQQBRSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652697010 492992877 /nfs/dbraw/zinc/99/28/77/492992877.db2.gz VSGUMDNCOAFEFH-YTQUADARSA-N 2 1 372.513 0.876 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652697010 492992879 /nfs/dbraw/zinc/99/28/79/492992879.db2.gz VSGUMDNCOAFEFH-YTQUADARSA-N 2 1 372.513 0.876 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652696507 492993064 /nfs/dbraw/zinc/99/30/64/492993064.db2.gz MEXRAJNNBWYEOI-DAWZGUTISA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652696507 492993068 /nfs/dbraw/zinc/99/30/68/492993068.db2.gz MEXRAJNNBWYEOI-DAWZGUTISA-N 2 1 358.486 0.758 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978116 492995436 /nfs/dbraw/zinc/99/54/36/492995436.db2.gz SHHCDTZFGDAXDJ-FUHWJXTLSA-N 2 1 360.506 0.706 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978116 492995439 /nfs/dbraw/zinc/99/54/39/492995439.db2.gz SHHCDTZFGDAXDJ-FUHWJXTLSA-N 2 1 360.506 0.706 20 0 FCADMP CN(CC[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000639170619 493000413 /nfs/dbraw/zinc/00/04/13/493000413.db2.gz WIEULSMMWYCMES-UHFFFAOYSA-N 2 1 354.520 0.792 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725716 493005024 /nfs/dbraw/zinc/00/50/24/493005024.db2.gz RGJDMWYUWMIYDL-KRWDZBQOSA-N 2 1 350.507 0.683 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736782 493013497 /nfs/dbraw/zinc/01/34/97/493013497.db2.gz PEEZATQSQDSRON-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000652736782 493013500 /nfs/dbraw/zinc/01/35/00/493013500.db2.gz PEEZATQSQDSRON-BPQIPLTHSA-N 2 1 358.486 0.567 20 0 FCADMP CNS(=O)(=O)[C@H]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545126 493018724 /nfs/dbraw/zinc/01/87/24/493018724.db2.gz REIIZAOUEMCRGR-IRXDYDNUSA-N 2 1 353.488 0.247 20 0 FCADMP CNS(=O)(=O)[C@@H]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545127 493018958 /nfs/dbraw/zinc/01/89/58/493018958.db2.gz REIIZAOUEMCRGR-SJORKVTESA-N 2 1 353.488 0.247 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(C[NH+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000639849632 493055318 /nfs/dbraw/zinc/05/53/18/493055318.db2.gz PWLBXVYFQCCSMT-LWYYNNOASA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000639849632 493055319 /nfs/dbraw/zinc/05/53/19/493055319.db2.gz PWLBXVYFQCCSMT-LWYYNNOASA-N 2 1 364.486 0.322 20 0 FCADMP C[C@]1(CO)C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000639849632 493055320 /nfs/dbraw/zinc/05/53/20/493055320.db2.gz PWLBXVYFQCCSMT-LWYYNNOASA-N 2 1 364.486 0.322 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000626897363 493056451 /nfs/dbraw/zinc/05/64/51/493056451.db2.gz XDXTYRBUVNMOGN-UHFFFAOYSA-N 2 1 356.854 0.774 20 0 FCADMP COC[C@](C)(CO)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000639949086 493070417 /nfs/dbraw/zinc/07/04/17/493070417.db2.gz IHWJDVIZNQNFSN-KRWDZBQOSA-N 2 1 357.495 0.125 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000640051723 493081309 /nfs/dbraw/zinc/08/13/09/493081309.db2.gz XLXJVMUSBYMSMQ-HXUWFJFHSA-N 2 1 374.529 0.983 20 0 FCADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000640051723 493081313 /nfs/dbraw/zinc/08/13/13/493081313.db2.gz XLXJVMUSBYMSMQ-HXUWFJFHSA-N 2 1 374.529 0.983 20 0 FCADMP C[N@@H+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[C@@H](Cc2ccccc2)C1 ZINC000653254560 493086796 /nfs/dbraw/zinc/08/67/96/493086796.db2.gz UYQHVCILTSAOSO-IRXDYDNUSA-N 2 1 354.458 0.811 20 0 FCADMP C[N@H+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[C@@H](Cc2ccccc2)C1 ZINC000653254560 493086797 /nfs/dbraw/zinc/08/67/97/493086797.db2.gz UYQHVCILTSAOSO-IRXDYDNUSA-N 2 1 354.458 0.811 20 0 FCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC[C@@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000632808279 493090320 /nfs/dbraw/zinc/09/03/20/493090320.db2.gz NFLDBXVGTSZNAT-HDICACEKSA-N 2 1 360.502 0.769 20 0 FCADMP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H]1c1nccn1C ZINC000627149562 493096285 /nfs/dbraw/zinc/09/62/85/493096285.db2.gz IXOQUWVDLMRLAC-NUEKZKHPSA-N 2 1 363.462 0.261 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000633040058 493108805 /nfs/dbraw/zinc/10/88/05/493108805.db2.gz VZKAPKBWSIDSOY-ZBFHGGJFSA-N 2 1 360.458 0.448 20 0 FCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000633040057 493109009 /nfs/dbraw/zinc/10/90/09/493109009.db2.gz VZKAPKBWSIDSOY-HOCLYGCPSA-N 2 1 360.458 0.448 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000633085092 493118741 /nfs/dbraw/zinc/11/87/41/493118741.db2.gz OJPMMQVRHPXPEC-BPKGMFCQSA-N 2 1 364.490 0.049 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000633085092 493118745 /nfs/dbraw/zinc/11/87/45/493118745.db2.gz OJPMMQVRHPXPEC-BPKGMFCQSA-N 2 1 364.490 0.049 20 0 FCADMP Cc1cccn2c(=O)cc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)nc12 ZINC000640853232 493136762 /nfs/dbraw/zinc/13/67/62/493136762.db2.gz CTOFOBHQBCYKKQ-UHFFFAOYSA-N 2 1 367.457 0.608 20 0 FCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627295348 493138411 /nfs/dbraw/zinc/13/84/11/493138411.db2.gz ANIDMTXUBLYXGR-HNNXBMFYSA-N 2 1 356.511 0.437 20 0 FCADMP CCCN(C(=O)C(=O)NCCc1cn2c(n1)CCCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000646990556 493142795 /nfs/dbraw/zinc/14/27/95/493142795.db2.gz PLZOHOCDHZDDDK-MRXNPFEDSA-N 2 1 361.490 0.821 20 0 FCADMP CCCN(C(=O)C(=O)NCCc1cn2c(n1)CCCC2)[C@@H]1CCN(C)C1 ZINC000646990556 493142798 /nfs/dbraw/zinc/14/27/98/493142798.db2.gz PLZOHOCDHZDDDK-MRXNPFEDSA-N 2 1 361.490 0.821 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627328761 493156398 /nfs/dbraw/zinc/15/63/98/493156398.db2.gz MSZBHXBCMOXLKO-SJORKVTESA-N 2 1 352.523 0.927 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659111111 493158142 /nfs/dbraw/zinc/15/81/42/493158142.db2.gz FVGYCBVQGNMYAG-SOUVJXGZSA-N 2 1 362.474 0.958 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659111111 493158146 /nfs/dbraw/zinc/15/81/46/493158146.db2.gz FVGYCBVQGNMYAG-SOUVJXGZSA-N 2 1 362.474 0.958 20 0 FCADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627334533 493158904 /nfs/dbraw/zinc/15/89/04/493158904.db2.gz TXCQWWLGHSFDBO-GDBMZVCRSA-N 2 1 352.479 0.004 20 0 FCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006184 493161722 /nfs/dbraw/zinc/16/17/22/493161722.db2.gz XQWPWHPCEOSUSA-RDJZCZTQSA-N 2 1 372.473 0.705 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627345994 493165996 /nfs/dbraw/zinc/16/59/96/493165996.db2.gz BHQMGUHQOHLOSQ-CHWSQXEVSA-N 2 1 366.428 0.820 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627356581 493172718 /nfs/dbraw/zinc/17/27/18/493172718.db2.gz KOFSYVZYSLGALZ-JQHSSLGASA-N 2 1 374.485 0.118 20 0 FCADMP [NH3+]C1CC[NH+](CCc2cn(Cc3nncn3-c3ccccc3)nn2)CC1 ZINC000641165253 493174480 /nfs/dbraw/zinc/17/44/80/493174480.db2.gz ZKPXFLCIGMGGGT-UHFFFAOYSA-N 2 1 352.446 0.873 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659443282 493180682 /nfs/dbraw/zinc/18/06/82/493180682.db2.gz YYVZTGKVYCPVMW-XQQFMLRXSA-N 2 1 350.467 0.807 20 0 FCADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659451500 493181509 /nfs/dbraw/zinc/18/15/09/493181509.db2.gz FMJKIKPXFDTUTD-YOEHRIQHSA-N 2 1 361.490 0.791 20 0 FCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659456153 493183254 /nfs/dbraw/zinc/18/32/54/493183254.db2.gz NSEPILMGQLQLMB-LYGPFTKASA-N 2 1 358.490 0.643 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000627372324 493184219 /nfs/dbraw/zinc/18/42/19/493184219.db2.gz JYVBAYWFKRJVEZ-NTZNESFSSA-N 2 1 364.412 0.571 20 0 FCADMP COCC[C@@H]([NH3+])Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230804 493184877 /nfs/dbraw/zinc/18/48/77/493184877.db2.gz UUAYYTMIGFGBQA-IEBWSBKVSA-N 2 1 359.474 0.821 20 0 FCADMP O[C@@]1(Cn2cc(CCN3CC[NH2+]CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641228649 493186086 /nfs/dbraw/zinc/18/60/86/493186086.db2.gz BXOBCLBEQXAHPE-FQEVSTJZSA-N 2 1 370.501 0.363 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627379302 493188507 /nfs/dbraw/zinc/18/85/07/493188507.db2.gz IDECJSAUNRWBPC-NJAFHUGGSA-N 2 1 374.485 0.260 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538759 493208417 /nfs/dbraw/zinc/20/84/17/493208417.db2.gz LYRZYPVIQWJVQQ-CHWSQXEVSA-N 2 1 351.417 0.606 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000659617852 493220867 /nfs/dbraw/zinc/22/08/67/493220867.db2.gz WGAYGCVPKRTNFA-AGYKMIKPSA-N 2 1 358.486 0.921 20 0 FCADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000659616520 493221231 /nfs/dbraw/zinc/22/12/31/493221231.db2.gz LPSSJVMEOHLVCP-NRGCRIOASA-N 2 1 358.486 0.921 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659619386 493221506 /nfs/dbraw/zinc/22/15/06/493221506.db2.gz XDNVVMQUKOJMJR-HFCFLWKCSA-N 2 1 365.522 0.175 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000659674129 493244477 /nfs/dbraw/zinc/24/44/77/493244477.db2.gz BPKPPPVFJGBCAT-GFCCVEGCSA-N 2 1 365.478 0.344 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659695572 493257848 /nfs/dbraw/zinc/25/78/48/493257848.db2.gz AXHYNTBDSXHYHV-GDBMZVCRSA-N 2 1 364.515 0.444 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659695572 493257849 /nfs/dbraw/zinc/25/78/49/493257849.db2.gz AXHYNTBDSXHYHV-GDBMZVCRSA-N 2 1 364.515 0.444 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659697781 493259325 /nfs/dbraw/zinc/25/93/25/493259325.db2.gz DSWWOMBNZNOIGE-QGZVFWFLSA-N 2 1 368.522 0.309 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641666515 493272017 /nfs/dbraw/zinc/27/20/17/493272017.db2.gz FQJVZKCQSJLGBY-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641666515 493272021 /nfs/dbraw/zinc/27/20/21/493272021.db2.gz FQJVZKCQSJLGBY-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666515 493272023 /nfs/dbraw/zinc/27/20/23/493272023.db2.gz FQJVZKCQSJLGBY-QZTJIDSGSA-N 2 1 352.523 0.774 20 0 FCADMP COC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@H]1CCCC[NH+]1C ZINC000682169457 493274188 /nfs/dbraw/zinc/27/41/88/493274188.db2.gz YBFQSPDGNJCKNZ-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000682169457 493274191 /nfs/dbraw/zinc/27/41/91/493274191.db2.gz YBFQSPDGNJCKNZ-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP COC[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000682169457 493274192 /nfs/dbraw/zinc/27/41/92/493274192.db2.gz YBFQSPDGNJCKNZ-HRCADAONSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000659731213 493277423 /nfs/dbraw/zinc/27/74/23/493277423.db2.gz SVPCACGSMTURBT-KONPQCLYSA-N 2 1 358.486 0.974 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000659731213 493277425 /nfs/dbraw/zinc/27/74/25/493277425.db2.gz SVPCACGSMTURBT-KONPQCLYSA-N 2 1 358.486 0.974 20 0 FCADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000659742475 493282055 /nfs/dbraw/zinc/28/20/55/493282055.db2.gz SBXULKIQCAASAE-ZWKOTPCHSA-N 2 1 360.502 0.861 20 0 FCADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000659742475 493282057 /nfs/dbraw/zinc/28/20/57/493282057.db2.gz SBXULKIQCAASAE-ZWKOTPCHSA-N 2 1 360.502 0.861 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2ncc(C)cn2n1 ZINC000667812290 493303243 /nfs/dbraw/zinc/30/32/43/493303243.db2.gz IUHWCSLBIVMPDY-OAHLLOKOSA-N 2 1 359.478 0.921 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660121249 493327484 /nfs/dbraw/zinc/32/74/84/493327484.db2.gz BAMYUGIZPKVEPN-KRWDZBQOSA-N 2 1 359.474 0.529 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660121249 493327486 /nfs/dbraw/zinc/32/74/86/493327486.db2.gz BAMYUGIZPKVEPN-KRWDZBQOSA-N 2 1 359.474 0.529 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660655260 493370334 /nfs/dbraw/zinc/37/03/34/493370334.db2.gz WDOFGLFNKWPBGZ-QGZVFWFLSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000683813918 493372260 /nfs/dbraw/zinc/37/22/60/493372260.db2.gz ZKFSUBSJIMBOTN-HIFRSBDPSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683813918 493372262 /nfs/dbraw/zinc/37/22/62/493372262.db2.gz ZKFSUBSJIMBOTN-HIFRSBDPSA-N 2 1 350.467 0.990 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000668546449 493374297 /nfs/dbraw/zinc/37/42/97/493374297.db2.gz ZTZGRKSNHRGLTP-ULQDDVLXSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668548017 493374506 /nfs/dbraw/zinc/37/45/06/493374506.db2.gz DFWIQYPRCJBVSH-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000660709298 493374739 /nfs/dbraw/zinc/37/47/39/493374739.db2.gz BZMAJPNUDMADNA-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000673979981 493379505 /nfs/dbraw/zinc/37/95/05/493379505.db2.gz KVDSSHBOEUOVEI-QAPCUYQASA-N 2 1 369.579 0.891 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979981 493379506 /nfs/dbraw/zinc/37/95/06/493379506.db2.gz KVDSSHBOEUOVEI-QAPCUYQASA-N 2 1 369.579 0.891 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1C ZINC000660856640 493387133 /nfs/dbraw/zinc/38/71/33/493387133.db2.gz RUIPLYAEJQQNQH-CQSZACIVSA-N 2 1 350.467 0.539 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000668643569 493389242 /nfs/dbraw/zinc/38/92/42/493389242.db2.gz KEOFPACDOHCAGQ-HNNXBMFYSA-N 2 1 364.515 0.823 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684200063 493401215 /nfs/dbraw/zinc/40/12/15/493401215.db2.gz QAGZTUSKMBSTOY-KRWDZBQOSA-N 2 1 360.506 0.801 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668796010 493412909 /nfs/dbraw/zinc/41/29/09/493412909.db2.gz IWBFQPJVBVVVIU-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180207 493415997 /nfs/dbraw/zinc/41/59/97/493415997.db2.gz NWBQUBFZAYRXET-KURKYZTESA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180207 493416001 /nfs/dbraw/zinc/41/60/01/493416001.db2.gz NWBQUBFZAYRXET-KURKYZTESA-N 2 1 359.470 0.805 20 0 FCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180207 493416005 /nfs/dbraw/zinc/41/60/05/493416005.db2.gz NWBQUBFZAYRXET-KURKYZTESA-N 2 1 359.470 0.805 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000668841167 493419576 /nfs/dbraw/zinc/41/95/76/493419576.db2.gz HGBKWEVYOBYBDC-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000668841167 493419579 /nfs/dbraw/zinc/41/95/79/493419579.db2.gz HGBKWEVYOBYBDC-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000668841167 493419582 /nfs/dbraw/zinc/41/95/82/493419582.db2.gz HGBKWEVYOBYBDC-CVEARBPZSA-N 2 1 366.506 0.347 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1C ZINC000668866534 493424572 /nfs/dbraw/zinc/42/45/72/493424572.db2.gz CPIJQTKJIWHTKI-LBPRGKRZSA-N 2 1 350.467 0.091 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)n1C ZINC000668866534 493424576 /nfs/dbraw/zinc/42/45/76/493424576.db2.gz CPIJQTKJIWHTKI-LBPRGKRZSA-N 2 1 350.467 0.091 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000668894054 493430244 /nfs/dbraw/zinc/43/02/44/493430244.db2.gz UMPWLAIDRQLVNX-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000668894054 493430247 /nfs/dbraw/zinc/43/02/47/493430247.db2.gz UMPWLAIDRQLVNX-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894054 493430250 /nfs/dbraw/zinc/43/02/50/493430250.db2.gz UMPWLAIDRQLVNX-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000668894054 493430253 /nfs/dbraw/zinc/43/02/53/493430253.db2.gz UMPWLAIDRQLVNX-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000661408800 493435570 /nfs/dbraw/zinc/43/55/70/493435570.db2.gz FWIDZXGNISKQJS-RDJZCZTQSA-N 2 1 357.458 0.283 20 0 FCADMP COCC[N@H+]1CCN(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668934088 493440350 /nfs/dbraw/zinc/44/03/50/493440350.db2.gz VDRMIJLQLZABDU-OAGGEKHMSA-N 2 1 364.494 0.508 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668934088 493440351 /nfs/dbraw/zinc/44/03/51/493440351.db2.gz VDRMIJLQLZABDU-OAGGEKHMSA-N 2 1 364.494 0.508 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668934088 493440353 /nfs/dbraw/zinc/44/03/53/493440353.db2.gz VDRMIJLQLZABDU-OAGGEKHMSA-N 2 1 364.494 0.508 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685082423 493447937 /nfs/dbraw/zinc/44/79/37/493447937.db2.gz REGSZEHFRWBJPW-GVDBMIGSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000685082423 493447940 /nfs/dbraw/zinc/44/79/40/493447940.db2.gz REGSZEHFRWBJPW-GVDBMIGSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685082423 493447942 /nfs/dbraw/zinc/44/79/42/493447942.db2.gz REGSZEHFRWBJPW-GVDBMIGSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685082423 493447946 /nfs/dbraw/zinc/44/79/46/493447946.db2.gz REGSZEHFRWBJPW-GVDBMIGSSA-N 2 1 368.522 0.306 20 0 FCADMP O=C1CC[C@@H]2C[NH+](C/C=C/C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595784 493449568 /nfs/dbraw/zinc/44/95/68/493449568.db2.gz DYIFSUMIIDYSHG-BXNQOPRTSA-N 2 1 360.502 0.744 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000685177001 493462577 /nfs/dbraw/zinc/46/25/77/493462577.db2.gz SPEWBAUKMRQWGF-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000685177001 493462580 /nfs/dbraw/zinc/46/25/80/493462580.db2.gz SPEWBAUKMRQWGF-CYBMUJFWSA-N 2 1 366.428 0.930 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343575 493482279 /nfs/dbraw/zinc/48/22/79/493482279.db2.gz MWZVQBXUKLJMGZ-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343575 493482281 /nfs/dbraw/zinc/48/22/81/493482281.db2.gz MWZVQBXUKLJMGZ-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000669252449 493483179 /nfs/dbraw/zinc/48/31/79/493483179.db2.gz LMJXWXBMGUSFEE-JKSUJKDBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000669252449 493483182 /nfs/dbraw/zinc/48/31/82/493483182.db2.gz LMJXWXBMGUSFEE-JKSUJKDBSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000669252449 493483185 /nfs/dbraw/zinc/48/31/85/493483185.db2.gz LMJXWXBMGUSFEE-JKSUJKDBSA-N 2 1 368.522 0.593 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669272746 493487589 /nfs/dbraw/zinc/48/75/89/493487589.db2.gz LOMPDQPJXGEYSE-SJORKVTESA-N 2 1 365.522 0.572 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669272744 493487777 /nfs/dbraw/zinc/48/77/77/493487777.db2.gz LOMPDQPJXGEYSE-IRXDYDNUSA-N 2 1 365.522 0.572 20 0 FCADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262966 493501770 /nfs/dbraw/zinc/50/17/70/493501770.db2.gz JGIMVFKRMBCSIO-HUUCEWRRSA-N 2 1 365.478 0.806 20 0 FCADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000662265555 493501807 /nfs/dbraw/zinc/50/18/07/493501807.db2.gz RALRFCZDYWCBQE-GJZGRUSLSA-N 2 1 363.510 0.551 20 0 FCADMP Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662265801 493501827 /nfs/dbraw/zinc/50/18/27/493501827.db2.gz ZLSACIDFBDBRAE-AWEZNQCLSA-N 2 1 357.462 0.315 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000669415706 493502904 /nfs/dbraw/zinc/50/29/04/493502904.db2.gz AJZVZZWXXBKITP-UHFFFAOYSA-N 2 1 360.506 0.939 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1CCC[NH3+] ZINC000662316277 493506138 /nfs/dbraw/zinc/50/61/38/493506138.db2.gz VPFFBMVKMZQCDV-NVXWUHKLSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CCC[NH3+] ZINC000662315086 493506176 /nfs/dbraw/zinc/50/61/76/493506176.db2.gz SIAMRNVRXODGKH-IAGOWNOFSA-N 2 1 367.538 0.058 20 0 FCADMP [NH3+]C1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000669486462 493506229 /nfs/dbraw/zinc/50/62/29/493506229.db2.gz LUMLJVKPHXRYTM-INIZCTEOSA-N 2 1 353.511 0.354 20 0 FCADMP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000669486546 493506752 /nfs/dbraw/zinc/50/67/52/493506752.db2.gz WGUUSAHWBPGZTK-IRXDYDNUSA-N 2 1 353.511 0.210 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000669524625 493509182 /nfs/dbraw/zinc/50/91/82/493509182.db2.gz LFMWWXDFEYGNPJ-OAGGEKHMSA-N 2 1 363.506 0.465 20 0 FCADMP CN(C)C(=O)CN1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000675882918 493510166 /nfs/dbraw/zinc/51/01/66/493510166.db2.gz VFPARIPXXVZFFD-GOSISDBHSA-N 2 1 352.523 0.772 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662452460 493516535 /nfs/dbraw/zinc/51/65/35/493516535.db2.gz KDWYOUDDJGCGGT-UHFFFAOYSA-N 2 1 363.462 0.424 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662453294 493516708 /nfs/dbraw/zinc/51/67/08/493516708.db2.gz PAKPTVYGRKLBML-UHFFFAOYSA-N 2 1 350.488 0.676 20 0 FCADMP CC(C)[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000662480316 493519119 /nfs/dbraw/zinc/51/91/19/493519119.db2.gz QPNCCGSFCOLYAO-INIZCTEOSA-N 2 1 363.510 0.204 20 0 FCADMP Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)nnn1[C@H]1CC[NH2+]C1 ZINC000662486293 493520541 /nfs/dbraw/zinc/52/05/41/493520541.db2.gz WVNPLFIVDMOGBS-HNNXBMFYSA-N 2 1 371.445 0.873 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662659326 493530357 /nfs/dbraw/zinc/53/03/57/493530357.db2.gz SBKFJMHMMNBDCB-ROUUACIJSA-N 2 1 358.486 0.630 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662693060 493532219 /nfs/dbraw/zinc/53/22/19/493532219.db2.gz SGBXKSKMIHSOOX-IRXDYDNUSA-N 2 1 360.458 0.305 20 0 FCADMP C[N@@H+](CCOc1cccc(CNC(=O)C2(O)C[NH2+]C2)c1)C1CCOCC1 ZINC000662713984 493534155 /nfs/dbraw/zinc/53/41/55/493534155.db2.gz SSBWVBOLMUCZJQ-UHFFFAOYSA-N 2 1 363.458 0.127 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662724762 493535282 /nfs/dbraw/zinc/53/52/82/493535282.db2.gz SXDJOCHPAQXWRO-KKUMJFAQSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662724762 493535284 /nfs/dbraw/zinc/53/52/84/493535284.db2.gz SXDJOCHPAQXWRO-KKUMJFAQSA-N 2 1 350.467 0.120 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c2cccs2)CC1 ZINC000662754709 493538418 /nfs/dbraw/zinc/53/84/18/493538418.db2.gz UNCADELPOGFBLT-KFWWJZLASA-N 2 1 352.504 0.517 20 0 FCADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662755454 493539068 /nfs/dbraw/zinc/53/90/68/493539068.db2.gz AUHVDFIUZSYKED-MSOLQXFVSA-N 2 1 362.474 0.615 20 0 FCADMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676308481 493544601 /nfs/dbraw/zinc/54/46/01/493544601.db2.gz XDPHRZILQARDTM-SJORKVTESA-N 3 1 357.543 0.621 20 0 FCADMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676308481 493544603 /nfs/dbraw/zinc/54/46/03/493544603.db2.gz XDPHRZILQARDTM-SJORKVTESA-N 3 1 357.543 0.621 20 0 FCADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662857367 493547449 /nfs/dbraw/zinc/54/74/49/493547449.db2.gz AMNHZTOBGLQKMG-IAGOWNOFSA-N 2 1 369.469 0.983 20 0 FCADMP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901105 493550297 /nfs/dbraw/zinc/55/02/97/493550297.db2.gz SPYADMCEWNCIRB-GDBMZVCRSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901105 493550300 /nfs/dbraw/zinc/55/03/00/493550300.db2.gz SPYADMCEWNCIRB-GDBMZVCRSA-N 2 1 360.506 0.727 20 0 FCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662913839 493552578 /nfs/dbraw/zinc/55/25/78/493552578.db2.gz SPOCUBYMLDEKDD-NUEKZKHPSA-N 2 1 360.462 0.186 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000662935462 493556349 /nfs/dbraw/zinc/55/63/49/493556349.db2.gz XXKCNOZXALZORS-UHFFFAOYSA-N 2 1 361.490 0.074 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000662951549 493560058 /nfs/dbraw/zinc/56/00/58/493560058.db2.gz LSNDDAHCRGJTJE-WIYYLYMNSA-N 2 1 372.513 0.959 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000662985139 493564624 /nfs/dbraw/zinc/56/46/24/493564624.db2.gz YCIFXVMTZLAJEN-IKGGRYGDSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000662985139 493564626 /nfs/dbraw/zinc/56/46/26/493564626.db2.gz YCIFXVMTZLAJEN-IKGGRYGDSA-N 2 1 368.522 0.532 20 0 FCADMP CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670435848 493566899 /nfs/dbraw/zinc/56/68/99/493566899.db2.gz CQHSOKFMYZMVKQ-INIZCTEOSA-N 2 1 359.474 0.325 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000676698126 493567705 /nfs/dbraw/zinc/56/77/05/493567705.db2.gz MQHILNPEYIHPHX-HKUYNNGSSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000676698126 493567706 /nfs/dbraw/zinc/56/77/06/493567706.db2.gz MQHILNPEYIHPHX-HKUYNNGSSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000676698126 493567708 /nfs/dbraw/zinc/56/77/08/493567708.db2.gz MQHILNPEYIHPHX-HKUYNNGSSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000676698127 493567900 /nfs/dbraw/zinc/56/79/00/493567900.db2.gz MQHILNPEYIHPHX-IEBWSBKVSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000676698127 493567902 /nfs/dbraw/zinc/56/79/02/493567902.db2.gz MQHILNPEYIHPHX-IEBWSBKVSA-N 2 1 364.534 0.916 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000676698127 493567905 /nfs/dbraw/zinc/56/79/05/493567905.db2.gz MQHILNPEYIHPHX-IEBWSBKVSA-N 2 1 364.534 0.916 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670572893 493580450 /nfs/dbraw/zinc/58/04/50/493580450.db2.gz OAPHJHKAJHEJET-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670572893 493580451 /nfs/dbraw/zinc/58/04/51/493580451.db2.gz OAPHJHKAJHEJET-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000670671180 493587360 /nfs/dbraw/zinc/58/73/60/493587360.db2.gz OUMCBFCIFNFUFJ-IRXDYDNUSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000670671180 493587364 /nfs/dbraw/zinc/58/73/64/493587364.db2.gz OUMCBFCIFNFUFJ-IRXDYDNUSA-N 2 1 366.506 0.060 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000670671180 493587366 /nfs/dbraw/zinc/58/73/66/493587366.db2.gz OUMCBFCIFNFUFJ-IRXDYDNUSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670709554 493589319 /nfs/dbraw/zinc/58/93/19/493589319.db2.gz PFNQJJYQPVWUSL-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670709554 493589322 /nfs/dbraw/zinc/58/93/22/493589322.db2.gz PFNQJJYQPVWUSL-HOTGVXAUSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670709556 493589613 /nfs/dbraw/zinc/58/96/13/493589613.db2.gz PFNQJJYQPVWUSL-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670709556 493589615 /nfs/dbraw/zinc/58/96/15/493589615.db2.gz PFNQJJYQPVWUSL-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663558604 493598123 /nfs/dbraw/zinc/59/81/23/493598123.db2.gz UVOSFSGUVJHCHH-QGZVFWFLSA-N 2 1 367.538 0.565 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000670878105 493608546 /nfs/dbraw/zinc/60/85/46/493608546.db2.gz GUNOSMLTXUGDGF-QGZVFWFLSA-N 2 1 367.538 0.118 20 0 FCADMP O=C(NCc1ccc(N2CCCC2)nc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670890778 493609290 /nfs/dbraw/zinc/60/92/90/493609290.db2.gz ZOUCJNCXKMDURX-QGZVFWFLSA-N 2 1 371.485 0.899 20 0 FCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000677740143 493614356 /nfs/dbraw/zinc/61/43/56/493614356.db2.gz VQVGICYKSLGWCO-WNRNVDISSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000671103343 493634304 /nfs/dbraw/zinc/63/43/04/493634304.db2.gz FUNXSLFYZZBUFD-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104282 493635001 /nfs/dbraw/zinc/63/50/01/493635001.db2.gz NABNNMGGTYPSLD-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000671107187 493635526 /nfs/dbraw/zinc/63/55/26/493635526.db2.gz GTCNOGWANXTLDY-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000671107187 493635529 /nfs/dbraw/zinc/63/55/29/493635529.db2.gz GTCNOGWANXTLDY-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000671107187 493635532 /nfs/dbraw/zinc/63/55/32/493635532.db2.gz GTCNOGWANXTLDY-NCOADZHNSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671106629 493635979 /nfs/dbraw/zinc/63/59/79/493635979.db2.gz HZFCDCDMOPIQND-YYIAUSFCSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671106629 493635983 /nfs/dbraw/zinc/63/59/83/493635983.db2.gz HZFCDCDMOPIQND-YYIAUSFCSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671106629 493635987 /nfs/dbraw/zinc/63/59/87/493635987.db2.gz HZFCDCDMOPIQND-YYIAUSFCSA-N 2 1 366.506 0.345 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108115 493636711 /nfs/dbraw/zinc/63/67/11/493636711.db2.gz VSXVZDZTMCJDFE-JKSUJKDBSA-N 2 1 362.474 0.913 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108112 493636733 /nfs/dbraw/zinc/63/67/33/493636733.db2.gz VSXVZDZTMCJDFE-CVEARBPZSA-N 2 1 362.474 0.913 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671181862 493647970 /nfs/dbraw/zinc/64/79/70/493647970.db2.gz SZWDSPWNPAWVEP-DLBZAZTESA-N 2 1 357.458 0.473 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000671418964 493669183 /nfs/dbraw/zinc/66/91/83/493669183.db2.gz KEZKRJNUKVDDEM-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000671418964 493669186 /nfs/dbraw/zinc/66/91/86/493669186.db2.gz KEZKRJNUKVDDEM-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000671418964 493669188 /nfs/dbraw/zinc/66/91/88/493669188.db2.gz KEZKRJNUKVDDEM-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000664756992 493681486 /nfs/dbraw/zinc/68/14/86/493681486.db2.gz YSFZTBBJIXUHST-ZACQAIPSSA-N 2 1 356.511 0.896 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCOCC1 ZINC000679507216 493684257 /nfs/dbraw/zinc/68/42/57/493684257.db2.gz UPGMDEVHFUXBDX-UHFFFAOYSA-N 2 1 372.429 0.433 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000679512753 493685918 /nfs/dbraw/zinc/68/59/18/493685918.db2.gz LVJZPJPKVZZOLN-HIFRSBDPSA-N 2 1 354.414 0.758 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000679512753 493685921 /nfs/dbraw/zinc/68/59/21/493685921.db2.gz LVJZPJPKVZZOLN-HIFRSBDPSA-N 2 1 354.414 0.758 20 0 FCADMP C[NH+]1CCCN(C(=O)c2cccc(C(=O)N3CCC[N@H+](C)CC3)c2N)CC1 ZINC000665159791 493702836 /nfs/dbraw/zinc/70/28/36/493702836.db2.gz BURYDOXOMFBUHR-UHFFFAOYSA-N 2 1 373.501 0.824 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671963616 493719591 /nfs/dbraw/zinc/71/95/91/493719591.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671963616 493719592 /nfs/dbraw/zinc/71/95/92/493719592.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671963616 493719593 /nfs/dbraw/zinc/71/95/93/493719593.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671963616 493719594 /nfs/dbraw/zinc/71/95/94/493719594.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671963616 493719595 /nfs/dbraw/zinc/71/95/95/493719595.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672009160 493724185 /nfs/dbraw/zinc/72/41/85/493724185.db2.gz YXQNUMFWDFSLCR-HZPDHXFCSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000672012919 493724781 /nfs/dbraw/zinc/72/47/81/493724781.db2.gz DKZGTDUUMRVPON-HNNXBMFYSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672305133 493751598 /nfs/dbraw/zinc/75/15/98/493751598.db2.gz CTXAJDWIJIGPOM-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672305133 493751600 /nfs/dbraw/zinc/75/16/00/493751600.db2.gz CTXAJDWIJIGPOM-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305133 493751602 /nfs/dbraw/zinc/75/16/02/493751602.db2.gz CTXAJDWIJIGPOM-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCCC1 ZINC000672311185 493754818 /nfs/dbraw/zinc/75/48/18/493754818.db2.gz ZNRVCMLNEDZXBK-MRXNPFEDSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310825 493755281 /nfs/dbraw/zinc/75/52/81/493755281.db2.gz JHBSPPNHJGRYAP-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000666147363 493760215 /nfs/dbraw/zinc/76/02/15/493760215.db2.gz HEHLQGIBBSBZAY-LJQANCHMSA-N 2 1 373.501 0.754 20 0 FCADMP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000666147363 493760216 /nfs/dbraw/zinc/76/02/16/493760216.db2.gz HEHLQGIBBSBZAY-LJQANCHMSA-N 2 1 373.501 0.754 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)[N@H+]1C ZINC000410847632 534288568 /nfs/dbraw/zinc/28/85/68/534288568.db2.gz WZVJJQMMQXTCAX-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)[N@@H+]1C ZINC000410847632 534288570 /nfs/dbraw/zinc/28/85/70/534288570.db2.gz WZVJJQMMQXTCAX-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)[NH+]1C ZINC000410847632 534288573 /nfs/dbraw/zinc/28/85/73/534288573.db2.gz WZVJJQMMQXTCAX-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)[NH+]1C ZINC000410847632 534288574 /nfs/dbraw/zinc/28/85/74/534288574.db2.gz WZVJJQMMQXTCAX-UXLLHSPISA-N 2 1 350.507 0.728 20 0 FCADMP C[NH2+]C[C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423926383 536460690 /nfs/dbraw/zinc/46/06/90/536460690.db2.gz PADDRRZSWMRXCJ-IHRRRGAJSA-N 2 1 352.458 0.773 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419444213 536497345 /nfs/dbraw/zinc/49/73/45/536497345.db2.gz CDEYZGCGTBOKPZ-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000410736058 527744127 /nfs/dbraw/zinc/74/41/27/527744127.db2.gz LAELQQHPOKOUFC-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000410736058 527744131 /nfs/dbraw/zinc/74/41/31/527744131.db2.gz LAELQQHPOKOUFC-DOTOQJQBSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000410698457 527827555 /nfs/dbraw/zinc/82/75/55/527827555.db2.gz NPKAHRVROVJSMA-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000410698457 527827562 /nfs/dbraw/zinc/82/75/62/527827562.db2.gz NPKAHRVROVJSMA-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000410698457 527827566 /nfs/dbraw/zinc/82/75/66/527827566.db2.gz NPKAHRVROVJSMA-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000410698457 527827578 /nfs/dbraw/zinc/82/75/78/527827578.db2.gz NPKAHRVROVJSMA-IRXDYDNUSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000410812543 527839996 /nfs/dbraw/zinc/83/99/96/527839996.db2.gz XYPLTVXXTBDCPL-QGZVFWFLSA-N 2 1 352.523 0.977 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000410811963 527842489 /nfs/dbraw/zinc/84/24/89/527842489.db2.gz XAZSKFITVUUKDV-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410811963 527842497 /nfs/dbraw/zinc/84/24/97/527842497.db2.gz XAZSKFITVUUKDV-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410811963 527842500 /nfs/dbraw/zinc/84/25/00/527842500.db2.gz XAZSKFITVUUKDV-VQIMIIECSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000410700256 527964307 /nfs/dbraw/zinc/96/43/07/527964307.db2.gz JOFZMVXPLYUHNS-GJYPPUQNSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000410700256 527964312 /nfs/dbraw/zinc/96/43/12/527964312.db2.gz JOFZMVXPLYUHNS-GJYPPUQNSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@H]1C ZINC000410700256 527964316 /nfs/dbraw/zinc/96/43/16/527964316.db2.gz JOFZMVXPLYUHNS-GJYPPUQNSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000410700256 527964322 /nfs/dbraw/zinc/96/43/22/527964322.db2.gz JOFZMVXPLYUHNS-GJYPPUQNSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410780922 527990645 /nfs/dbraw/zinc/99/06/45/527990645.db2.gz AHZVPKLSKMBOCJ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410780922 527990650 /nfs/dbraw/zinc/99/06/50/527990650.db2.gz AHZVPKLSKMBOCJ-DLBZAZTESA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410940130 528248125 /nfs/dbraw/zinc/24/81/25/528248125.db2.gz ZFZZPQMIBZBFRO-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000410940130 528248128 /nfs/dbraw/zinc/24/81/28/528248128.db2.gz ZFZZPQMIBZBFRO-JKSUJKDBSA-N 2 1 368.522 0.233 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000413158277 528250604 /nfs/dbraw/zinc/25/06/04/528250604.db2.gz BBMVANOGKHFUQF-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000413158277 528250609 /nfs/dbraw/zinc/25/06/09/528250609.db2.gz BBMVANOGKHFUQF-INIZCTEOSA-N 2 1 356.511 0.707 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000410438585 528386377 /nfs/dbraw/zinc/38/63/77/528386377.db2.gz USEZDZYGLWVUGG-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000410438585 528386383 /nfs/dbraw/zinc/38/63/83/528386383.db2.gz USEZDZYGLWVUGG-KRWDZBQOSA-N 2 1 368.522 0.500 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000410812654 528432708 /nfs/dbraw/zinc/43/27/08/528432708.db2.gz UZZQDSBLICXHQC-MRXNPFEDSA-N 2 1 368.522 0.498 20 0 FCADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413213380 528456700 /nfs/dbraw/zinc/45/67/00/528456700.db2.gz ZXSGVYTWEDBFCV-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410696614 528739187 /nfs/dbraw/zinc/73/91/87/528739187.db2.gz IANRBOQJDTZIST-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410696614 528739189 /nfs/dbraw/zinc/73/91/89/528739189.db2.gz IANRBOQJDTZIST-SJORKVTESA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)C(C)C ZINC000410516307 528887209 /nfs/dbraw/zinc/88/72/09/528887209.db2.gz DIUVJUJOHJOHQS-DLBZAZTESA-N 2 1 370.538 0.477 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)C(C)C ZINC000410516307 528887213 /nfs/dbraw/zinc/88/72/13/528887213.db2.gz DIUVJUJOHJOHQS-DLBZAZTESA-N 2 1 370.538 0.477 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192019566 529071184 /nfs/dbraw/zinc/07/11/84/529071184.db2.gz YKQUYBNZJKFEHF-LSDHHAIUSA-N 2 1 362.540 0.141 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192019566 529071188 /nfs/dbraw/zinc/07/11/88/529071188.db2.gz YKQUYBNZJKFEHF-LSDHHAIUSA-N 2 1 362.540 0.141 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)CC1 ZINC000188760832 529123270 /nfs/dbraw/zinc/12/32/70/529123270.db2.gz OCCOYJXVXUZXDA-JKSUJKDBSA-N 2 1 354.470 0.479 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173919725 529146712 /nfs/dbraw/zinc/14/67/12/529146712.db2.gz WCKNNKHUFXCCTA-INIZCTEOSA-N 2 1 365.526 0.840 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000410720272 529351349 /nfs/dbraw/zinc/35/13/49/529351349.db2.gz RGXODIGICVNDIZ-IAGOWNOFSA-N 2 1 350.507 0.873 20 0 FCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000410437483 529351558 /nfs/dbraw/zinc/35/15/58/529351558.db2.gz SPFOFDVBZBOHKC-SJORKVTESA-N 2 1 368.522 0.498 20 0 FCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000419386930 535086064 /nfs/dbraw/zinc/08/60/64/535086064.db2.gz FBHLXUHGAPLTPX-KRWDZBQOSA-N 2 1 358.486 0.808 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419761123 535297364 /nfs/dbraw/zinc/29/73/64/535297364.db2.gz JTOBNLWTSNVMMH-DLBZAZTESA-N 2 1 368.522 0.579 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000423650492 535425845 /nfs/dbraw/zinc/42/58/45/535425845.db2.gz KXFYLQOUZGJZJQ-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC[N@H+]1CCOC ZINC000423650492 535425849 /nfs/dbraw/zinc/42/58/49/535425849.db2.gz KXFYLQOUZGJZJQ-ARFHVFGLSA-N 2 1 354.495 0.155 20 0 FCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179623 535440633 /nfs/dbraw/zinc/44/06/33/535440633.db2.gz ZTXZJCZAQHQQOK-HBUWYVDXSA-N 2 1 354.495 0.223 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000423935710 535555064 /nfs/dbraw/zinc/55/50/64/535555064.db2.gz ASHFIDWAAJEICT-ZACQAIPSSA-N 2 1 350.507 0.953 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419837872 535709354 /nfs/dbraw/zinc/70/93/54/535709354.db2.gz XBRVMHYWIISAKL-MRXNPFEDSA-N 2 1 367.538 0.154 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419837649 535710196 /nfs/dbraw/zinc/71/01/96/535710196.db2.gz WXBLKEPRVUNTOM-SJORKVTESA-N 2 1 369.554 0.208 20 0 FCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000419227983 535943874 /nfs/dbraw/zinc/94/38/74/535943874.db2.gz LOBWMLKTTAMUEI-IAGOWNOFSA-N 2 1 350.507 0.968 20 0 FCADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@]3(CCOC)CC[NH2+]C3)CC2)cn1 ZINC000423757520 536054083 /nfs/dbraw/zinc/05/40/83/536054083.db2.gz MQMIALUETBXLMA-IBGZPJMESA-N 2 1 363.506 0.954 20 0 FCADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@]3(CCOC)CC[NH2+]C3)CC2)cn1 ZINC000423757520 536054087 /nfs/dbraw/zinc/05/40/87/536054087.db2.gz MQMIALUETBXLMA-IBGZPJMESA-N 2 1 363.506 0.954 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419897685 536103607 /nfs/dbraw/zinc/10/36/07/536103607.db2.gz VYEZCGAXXCXVCN-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419897685 536103612 /nfs/dbraw/zinc/10/36/12/536103612.db2.gz VYEZCGAXXCXVCN-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415266939 536132961 /nfs/dbraw/zinc/13/29/61/536132961.db2.gz SMZXHJDJTLAFLR-ZBFHGGJFSA-N 2 1 359.474 0.779 20 0 FCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415266939 536132965 /nfs/dbraw/zinc/13/29/65/536132965.db2.gz SMZXHJDJTLAFLR-ZBFHGGJFSA-N 2 1 359.474 0.779 20 0 FCADMP CNC(=O)NC(=O)CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694996 536319892 /nfs/dbraw/zinc/31/98/92/536319892.db2.gz MYCIGDBNQDRCAY-GFCCVEGCSA-N 2 1 351.476 0.933 20 0 FCADMP CNC(=O)NC(=O)CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694996 536319893 /nfs/dbraw/zinc/31/98/93/536319893.db2.gz MYCIGDBNQDRCAY-GFCCVEGCSA-N 2 1 351.476 0.933 20 0 FCADMP C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417379122 536357111 /nfs/dbraw/zinc/35/71/11/536357111.db2.gz FYAQKDBRXMVVJO-QGZVFWFLSA-N 2 1 360.506 0.987 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419445176 536369184 /nfs/dbraw/zinc/36/91/84/536369184.db2.gz DNMXGNRMHRXNBJ-IAGOWNOFSA-N 2 1 373.501 0.134 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC[C@H]21 ZINC000423666507 536376870 /nfs/dbraw/zinc/37/68/70/536376870.db2.gz MJAPGXPHTNAZCB-QZTJIDSGSA-N 2 1 358.486 0.917 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423311165 536416066 /nfs/dbraw/zinc/41/60/66/536416066.db2.gz SUAQFOXUKHQLPI-MSOLQXFVSA-N 2 1 358.486 0.787 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000419758125 536417157 /nfs/dbraw/zinc/41/71/57/536417157.db2.gz DMRBOVPTZUHENX-ZWKOTPCHSA-N 2 1 358.486 0.834 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890985 536449301 /nfs/dbraw/zinc/44/93/01/536449301.db2.gz JEWLJOXTTGNBQA-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419517780 536449704 /nfs/dbraw/zinc/44/97/04/536449704.db2.gz XFLCCTNIAKZAIV-HIFRSBDPSA-N 2 1 350.463 0.813 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000415074700 536469951 /nfs/dbraw/zinc/46/99/51/536469951.db2.gz APRPSISPNGCLTC-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000415074700 536469955 /nfs/dbraw/zinc/46/99/55/536469955.db2.gz APRPSISPNGCLTC-AWEZNQCLSA-N 2 1 362.474 0.648 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)[C@@H]2C1 ZINC000425379305 536487223 /nfs/dbraw/zinc/48/72/23/536487223.db2.gz AMVVMBOWVNBKMH-OKZBNKHCSA-N 2 1 362.518 0.729 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423442251 536775307 /nfs/dbraw/zinc/77/53/07/536775307.db2.gz JTFVTFWFTZUYJX-MRXNPFEDSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000121706100 546516411 /nfs/dbraw/zinc/51/64/11/546516411.db2.gz GWLCRIWKIHJRMJ-HCXYKTFWSA-N 2 1 357.539 0.889 20 0 FCADMP CCC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000121706100 546516414 /nfs/dbraw/zinc/51/64/14/546516414.db2.gz GWLCRIWKIHJRMJ-HCXYKTFWSA-N 2 1 357.539 0.889 20 0 FCADMP CCC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000121706100 546516417 /nfs/dbraw/zinc/51/64/17/546516417.db2.gz GWLCRIWKIHJRMJ-HCXYKTFWSA-N 2 1 357.539 0.889 20 0 FCADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCO2 ZINC000592183748 546618634 /nfs/dbraw/zinc/61/86/34/546618634.db2.gz AWTNHXZCYNDUAX-UHFFFAOYSA-N 2 1 366.384 0.561 20 0 FCADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736189 546747656 /nfs/dbraw/zinc/74/76/56/546747656.db2.gz JHSIHOBPGKMTAI-XQLPTFJDSA-N 2 1 356.467 0.065 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CCCCC1 ZINC000594082630 546773296 /nfs/dbraw/zinc/77/32/96/546773296.db2.gz HHVPZSPUSZXAIF-OAHLLOKOSA-N 2 1 353.511 0.890 20 0 FCADMP C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433370183 546922462 /nfs/dbraw/zinc/92/24/62/546922462.db2.gz DCQFEMYEYKBETQ-HNNXBMFYSA-N 2 1 355.504 0.825 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152774397 546925567 /nfs/dbraw/zinc/92/55/67/546925567.db2.gz HRQYUIRKSVULPO-WBVHZDCISA-N 2 1 356.511 0.894 20 0 FCADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152774397 546925573 /nfs/dbraw/zinc/92/55/73/546925573.db2.gz HRQYUIRKSVULPO-WBVHZDCISA-N 2 1 356.511 0.894 20 0 FCADMP CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1c1ncc[nH]1 ZINC000548015827 547057842 /nfs/dbraw/zinc/05/78/42/547057842.db2.gz QADPLRLVGODAPQ-OAHLLOKOSA-N 2 1 350.467 0.520 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000549956097 547075904 /nfs/dbraw/zinc/07/59/04/547075904.db2.gz JLPXAFRPQMDDFE-OAHLLOKOSA-N 2 1 350.463 0.989 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550838430 547109734 /nfs/dbraw/zinc/10/97/34/547109734.db2.gz HITIMYWZQRZKNN-RHSMWYFYSA-N 2 1 356.536 0.340 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000550840955 547111455 /nfs/dbraw/zinc/11/14/55/547111455.db2.gz XXBKAQOWWKWLKW-MPGHIAIKSA-N 2 1 370.563 0.871 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000550903532 547113750 /nfs/dbraw/zinc/11/37/50/547113750.db2.gz ZKFBYSYYEIDLNU-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000550903532 547113755 /nfs/dbraw/zinc/11/37/55/547113755.db2.gz ZKFBYSYYEIDLNU-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000550903532 547113759 /nfs/dbraw/zinc/11/37/59/547113759.db2.gz ZKFBYSYYEIDLNU-UXLLHSPISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911656 547115199 /nfs/dbraw/zinc/11/51/99/547115199.db2.gz UERQHEBOYJDOCI-WMLDXEAASA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000550952359 547117070 /nfs/dbraw/zinc/11/70/70/547117070.db2.gz SALLWYHROGUBMU-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+](C)CCOC)C[C@@H]1C ZINC000550952359 547117075 /nfs/dbraw/zinc/11/70/75/547117075.db2.gz SALLWYHROGUBMU-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+](C)CCOC)C[C@@H]1C ZINC000550952359 547117080 /nfs/dbraw/zinc/11/70/80/547117080.db2.gz SALLWYHROGUBMU-JKSUJKDBSA-N 2 1 356.511 0.402 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000551039520 547121261 /nfs/dbraw/zinc/12/12/61/547121261.db2.gz KLDRPGZZOOYLOX-DLBZAZTESA-N 2 1 350.507 0.921 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000551217970 547135582 /nfs/dbraw/zinc/13/55/82/547135582.db2.gz ZSNXHMGDHVUYPJ-IIDMSEBBSA-N 2 1 370.563 0.777 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000551280333 547139246 /nfs/dbraw/zinc/13/92/46/547139246.db2.gz NUVMHUMKSJCSFL-CVEARBPZSA-N 2 1 350.507 0.824 20 0 FCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000551282061 547139422 /nfs/dbraw/zinc/13/94/22/547139422.db2.gz QGRSEFTWWCMDQD-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551282061 547139427 /nfs/dbraw/zinc/13/94/27/547139427.db2.gz QGRSEFTWWCMDQD-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000551282061 547139429 /nfs/dbraw/zinc/13/94/29/547139429.db2.gz QGRSEFTWWCMDQD-JKSUJKDBSA-N 2 1 350.507 0.920 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000552907757 547239046 /nfs/dbraw/zinc/23/90/46/547239046.db2.gz RAQRXPLSWQQQBQ-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000552907757 547239049 /nfs/dbraw/zinc/23/90/49/547239049.db2.gz RAQRXPLSWQQQBQ-UHFFFAOYSA-N 2 1 354.495 0.158 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000553267515 547265035 /nfs/dbraw/zinc/26/50/35/547265035.db2.gz XIIFWIGWMIJFHR-CQSZACIVSA-N 2 1 354.495 0.202 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000553346364 547271013 /nfs/dbraw/zinc/27/10/13/547271013.db2.gz ACXADEZQUAIEMA-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000553346363 547271149 /nfs/dbraw/zinc/27/11/49/547271149.db2.gz ACXADEZQUAIEMA-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704247 547386051 /nfs/dbraw/zinc/38/60/51/547386051.db2.gz MEZHTJAPJQNWTR-BMFAXAFESA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704247 547386055 /nfs/dbraw/zinc/38/60/55/547386055.db2.gz MEZHTJAPJQNWTR-BMFAXAFESA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704247 547386058 /nfs/dbraw/zinc/38/60/58/547386058.db2.gz MEZHTJAPJQNWTR-BMFAXAFESA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000488704247 547386061 /nfs/dbraw/zinc/38/60/61/547386061.db2.gz MEZHTJAPJQNWTR-BMFAXAFESA-N 2 1 355.523 0.642 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000171037983 547401259 /nfs/dbraw/zinc/40/12/59/547401259.db2.gz RYBRWPYPEXCHAQ-UHFFFAOYSA-N 2 1 353.511 0.666 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949211326 674397509 /nfs/dbraw/zinc/39/75/09/674397509.db2.gz TXMDIHJPLZKPPZ-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+](CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCCC1 ZINC000736801193 598526427 /nfs/dbraw/zinc/52/64/27/598526427.db2.gz TWEGSMQWUNHUHF-CYBMUJFWSA-N 2 1 359.482 0.959 20 0 FCADMP C[N@@H+](CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCCC1 ZINC000736801193 598526428 /nfs/dbraw/zinc/52/64/28/598526428.db2.gz TWEGSMQWUNHUHF-CYBMUJFWSA-N 2 1 359.482 0.959 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950827916 674440241 /nfs/dbraw/zinc/44/02/41/674440241.db2.gz PJOJHUXMGVHYEC-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP COc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1-c1nn[nH]n1 ZINC000821813572 599431593 /nfs/dbraw/zinc/43/15/93/599431593.db2.gz JHCJHUSSMVCJDP-UHFFFAOYSA-N 2 1 359.478 0.993 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000954412750 674497037 /nfs/dbraw/zinc/49/70/37/674497037.db2.gz NEDYVTCQFCMEEZ-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC000954412750 674497041 /nfs/dbraw/zinc/49/70/41/674497041.db2.gz NEDYVTCQFCMEEZ-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC[NH+]1C ZINC000954412750 674497043 /nfs/dbraw/zinc/49/70/43/674497043.db2.gz NEDYVTCQFCMEEZ-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623748 606926491 /nfs/dbraw/zinc/92/64/91/606926491.db2.gz ROQLDWPROQOYMW-ZWKOTPCHSA-N 2 1 371.489 0.612 20 0 FCADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821623748 606926493 /nfs/dbraw/zinc/92/64/93/606926493.db2.gz ROQLDWPROQOYMW-ZWKOTPCHSA-N 2 1 371.489 0.612 20 0 FCADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826506669 608382887 /nfs/dbraw/zinc/38/28/87/608382887.db2.gz ZNTITXOCOKMDAZ-UHFFFAOYSA-N 2 1 358.446 0.526 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000958169471 674560188 /nfs/dbraw/zinc/56/01/88/674560188.db2.gz QNDRURUQODFKOV-BRWVUGGUSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)C1 ZINC000990006762 665838050 /nfs/dbraw/zinc/83/80/50/665838050.db2.gz ZHMUTCCPURQEMZ-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C)CC[NH+]1C ZINC001020490868 663162662 /nfs/dbraw/zinc/16/26/62/663162662.db2.gz OZNFPLDMGNCPCE-ALYAQQCSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C)CC[N@@H+]1C ZINC001020490868 663162665 /nfs/dbraw/zinc/16/26/65/663162665.db2.gz OZNFPLDMGNCPCE-ALYAQQCSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C)CC[N@H+]1C ZINC001020490868 663162668 /nfs/dbraw/zinc/16/26/68/663162668.db2.gz OZNFPLDMGNCPCE-ALYAQQCSSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000899204508 665932413 /nfs/dbraw/zinc/93/24/13/665932413.db2.gz AYIXTUDBMSRGFI-GJZGRUSLSA-N 2 1 352.479 0.038 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000899204508 665932414 /nfs/dbraw/zinc/93/24/14/665932414.db2.gz AYIXTUDBMSRGFI-GJZGRUSLSA-N 2 1 352.479 0.038 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230695 665933208 /nfs/dbraw/zinc/93/32/08/665933208.db2.gz PDWZPANATJLRBS-QGZVFWFLSA-N 2 1 354.539 0.877 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230695 665933210 /nfs/dbraw/zinc/93/32/10/665933210.db2.gz PDWZPANATJLRBS-QGZVFWFLSA-N 2 1 354.539 0.877 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)CC(C)(C)C ZINC000899230695 665933213 /nfs/dbraw/zinc/93/32/13/665933213.db2.gz PDWZPANATJLRBS-QGZVFWFLSA-N 2 1 354.539 0.877 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891484330 663409142 /nfs/dbraw/zinc/40/91/42/663409142.db2.gz UPXBQRWFUSNTRC-HZPDHXFCSA-N 2 1 353.511 0.842 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000891513449 663410868 /nfs/dbraw/zinc/41/08/68/663410868.db2.gz CIPGULPBMJUUHN-ARFHVFGLSA-N 2 1 352.479 0.308 20 0 FCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891536035 663412279 /nfs/dbraw/zinc/41/22/79/663412279.db2.gz BJCSRGHVQYVFEX-UPJWGTAASA-N 2 1 352.401 0.876 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565070 663415479 /nfs/dbraw/zinc/41/54/79/663415479.db2.gz OZYOFKWFXKOFMU-HJOIGYKYSA-N 2 1 351.495 0.058 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1CCN(C)CC1 ZINC000891752060 663433660 /nfs/dbraw/zinc/43/36/60/663433660.db2.gz DZEVSQGZICNKGP-YQVWRLOYSA-N 2 1 351.539 0.852 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)N1CC[NH+](C)CC1 ZINC000891752060 663433663 /nfs/dbraw/zinc/43/36/63/663433663.db2.gz DZEVSQGZICNKGP-YQVWRLOYSA-N 2 1 351.539 0.852 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)N1CC[NH+](C)CC1 ZINC000891752060 663433667 /nfs/dbraw/zinc/43/36/67/663433667.db2.gz DZEVSQGZICNKGP-YQVWRLOYSA-N 2 1 351.539 0.852 20 0 FCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000891878267 663445648 /nfs/dbraw/zinc/44/56/48/663445648.db2.gz FUQJKENPYRMUMB-MRXNPFEDSA-N 2 1 353.511 0.524 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000891929402 663450680 /nfs/dbraw/zinc/45/06/80/663450680.db2.gz NYAIIIYRPFJDEA-OAHLLOKOSA-N 2 1 353.511 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000891929402 663450683 /nfs/dbraw/zinc/45/06/83/663450683.db2.gz NYAIIIYRPFJDEA-OAHLLOKOSA-N 2 1 353.511 0.761 20 0 FCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892080514 663474117 /nfs/dbraw/zinc/47/41/17/663474117.db2.gz ZDUHKPPYNSOWOK-BRWVUGGUSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892092037 663475373 /nfs/dbraw/zinc/47/53/73/663475373.db2.gz OEHDSNIETWKDLM-ZACQAIPSSA-N 2 1 353.511 0.080 20 0 FCADMP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205245 663899801 /nfs/dbraw/zinc/89/98/01/663899801.db2.gz CRBJCXVNLLRYMB-DOTOQJQBSA-N 2 1 352.504 0.637 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000959659254 674582524 /nfs/dbraw/zinc/58/25/24/674582524.db2.gz WQQNUXFLEBRVFH-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000959659254 674582527 /nfs/dbraw/zinc/58/25/27/674582527.db2.gz WQQNUXFLEBRVFH-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000959659254 674582529 /nfs/dbraw/zinc/58/25/29/674582529.db2.gz WQQNUXFLEBRVFH-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892820850 664146663 /nfs/dbraw/zinc/14/66/63/664146663.db2.gz WRONKVPUKAXYMP-QBPKDAKJSA-N 2 1 352.479 0.090 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C2 ZINC000892878962 664152341 /nfs/dbraw/zinc/15/23/41/664152341.db2.gz HZRLIKPCEDEHJU-LBPRGKRZSA-N 2 1 353.492 0.516 20 0 FCADMP C[C@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000892917836 664154351 /nfs/dbraw/zinc/15/43/51/664154351.db2.gz ANJFHPCENWHIFS-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892920551 664154374 /nfs/dbraw/zinc/15/43/74/664154374.db2.gz WFVGHWBKXWHORK-MRXNPFEDSA-N 2 1 353.511 0.665 20 0 FCADMP CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000892925383 664155210 /nfs/dbraw/zinc/15/52/10/664155210.db2.gz QUKBQSWAUFFGGO-OAHLLOKOSA-N 2 1 351.495 0.548 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001025795051 664192305 /nfs/dbraw/zinc/19/23/05/664192305.db2.gz LWFZMJJYRYDPMW-VRXFMZDNSA-N 2 1 369.531 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001025795051 664192307 /nfs/dbraw/zinc/19/23/07/664192307.db2.gz LWFZMJJYRYDPMW-VRXFMZDNSA-N 2 1 369.531 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025795051 664192309 /nfs/dbraw/zinc/19/23/09/664192309.db2.gz LWFZMJJYRYDPMW-VRXFMZDNSA-N 2 1 369.531 0.198 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CC[NH+]1C ZINC001025795051 664192311 /nfs/dbraw/zinc/19/23/11/664192311.db2.gz LWFZMJJYRYDPMW-VRXFMZDNSA-N 2 1 369.531 0.198 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001025818442 664195260 /nfs/dbraw/zinc/19/52/60/664195260.db2.gz RAIWTGAKRPYWGG-BKDNHELGSA-N 2 1 351.491 0.567 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001025818442 664195263 /nfs/dbraw/zinc/19/52/63/664195263.db2.gz RAIWTGAKRPYWGG-BKDNHELGSA-N 2 1 351.491 0.567 20 0 FCADMP CCOC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001025818442 664195265 /nfs/dbraw/zinc/19/52/65/664195265.db2.gz RAIWTGAKRPYWGG-BKDNHELGSA-N 2 1 351.491 0.567 20 0 FCADMP CCOC1CC(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001025818442 664195267 /nfs/dbraw/zinc/19/52/67/664195267.db2.gz RAIWTGAKRPYWGG-BKDNHELGSA-N 2 1 351.491 0.567 20 0 FCADMP CCOC1CC(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001025818442 664195268 /nfs/dbraw/zinc/19/52/68/664195268.db2.gz RAIWTGAKRPYWGG-BKDNHELGSA-N 2 1 351.491 0.567 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000893052219 664202077 /nfs/dbraw/zinc/20/20/77/664202077.db2.gz DKPSVRDSXNKGLT-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000893052219 664202078 /nfs/dbraw/zinc/20/20/78/664202078.db2.gz DKPSVRDSXNKGLT-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893052219 664202080 /nfs/dbraw/zinc/20/20/80/664202080.db2.gz DKPSVRDSXNKGLT-IAGOWNOFSA-N 2 1 353.511 0.176 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000974187124 664227208 /nfs/dbraw/zinc/22/72/08/664227208.db2.gz DASZFRUPEJUKBI-LVQVYYBASA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001026916738 664277017 /nfs/dbraw/zinc/27/70/17/664277017.db2.gz NHNJSEUCFPCNRF-CKEIUWERSA-N 2 1 350.438 0.878 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cncc(F)c3)C2)O1 ZINC001026916738 664277018 /nfs/dbraw/zinc/27/70/18/664277018.db2.gz NHNJSEUCFPCNRF-CKEIUWERSA-N 2 1 350.438 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000978834010 664446984 /nfs/dbraw/zinc/44/69/84/664446984.db2.gz BYOACLHXZMDBOH-UHDSXZAQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000978834010 664446986 /nfs/dbraw/zinc/44/69/86/664446986.db2.gz BYOACLHXZMDBOH-UHDSXZAQSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000978834010 664446989 /nfs/dbraw/zinc/44/69/89/664446989.db2.gz BYOACLHXZMDBOH-UHDSXZAQSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979859756 664464224 /nfs/dbraw/zinc/46/42/24/664464224.db2.gz GPUPHQPUUNZWEV-WRQOLXDDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000979859756 664464226 /nfs/dbraw/zinc/46/42/26/664464226.db2.gz GPUPHQPUUNZWEV-WRQOLXDDSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000979859756 664464227 /nfs/dbraw/zinc/46/42/27/664464227.db2.gz GPUPHQPUUNZWEV-WRQOLXDDSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001027893323 664472452 /nfs/dbraw/zinc/47/24/52/664472452.db2.gz SGHZRAJCTDKUOG-OWCLPIDISA-N 2 1 351.495 0.323 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981050602 664812276 /nfs/dbraw/zinc/81/22/76/664812276.db2.gz GLXXCXUDBCWENF-USXIJHARSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981050599 664812374 /nfs/dbraw/zinc/81/23/74/664812374.db2.gz GLXXCXUDBCWENF-UAGQMJEPSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCN(CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC000981196723 664816623 /nfs/dbraw/zinc/81/66/23/664816623.db2.gz SQCMENQOISVSIJ-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC000981196723 664816625 /nfs/dbraw/zinc/81/66/25/664816625.db2.gz SQCMENQOISVSIJ-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC000981196723 664816627 /nfs/dbraw/zinc/81/66/27/664816627.db2.gz SQCMENQOISVSIJ-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC000981196723 664816630 /nfs/dbraw/zinc/81/66/30/664816630.db2.gz SQCMENQOISVSIJ-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC000981196723 664816631 /nfs/dbraw/zinc/81/66/31/664816631.db2.gz SQCMENQOISVSIJ-HUUCEWRRSA-N 2 1 350.463 0.010 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001028549513 664901488 /nfs/dbraw/zinc/90/14/88/664901488.db2.gz ABLDOYGTEJBKPA-HZSPNIEDSA-N 2 1 365.503 0.860 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549359 664901528 /nfs/dbraw/zinc/90/15/28/664901528.db2.gz PJBAMSDVYGXXJI-OWCLPIDISA-N 2 1 366.531 0.997 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001028629645 664930947 /nfs/dbraw/zinc/93/09/47/664930947.db2.gz PQHDUPVOTDGLSS-IJEWVQPXSA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CCc3ccns3)C2)O1 ZINC001028629645 664930948 /nfs/dbraw/zinc/93/09/48/664930948.db2.gz PQHDUPVOTDGLSS-IJEWVQPXSA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccns3)C2)O1 ZINC001028629645 664930949 /nfs/dbraw/zinc/93/09/49/664930949.db2.gz PQHDUPVOTDGLSS-IJEWVQPXSA-N 2 1 352.504 0.843 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCc3ccns3)C2)O1 ZINC001028629645 664930950 /nfs/dbraw/zinc/93/09/50/664930950.db2.gz PQHDUPVOTDGLSS-IJEWVQPXSA-N 2 1 352.504 0.843 20 0 FCADMP Cc1noc(C)c1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629312 664931105 /nfs/dbraw/zinc/93/11/05/664931105.db2.gz JCFPQNOEDKAOSQ-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629312 664931107 /nfs/dbraw/zinc/93/11/07/664931107.db2.gz JCFPQNOEDKAOSQ-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629312 664931108 /nfs/dbraw/zinc/93/11/08/664931108.db2.gz JCFPQNOEDKAOSQ-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629312 664931109 /nfs/dbraw/zinc/93/11/09/664931109.db2.gz JCFPQNOEDKAOSQ-SRCQZFHVSA-N 2 1 350.463 0.949 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000984017315 665014071 /nfs/dbraw/zinc/01/40/71/665014071.db2.gz ZJXKGWKEIRLAKX-GKLJAUDBSA-N 2 1 350.463 0.941 20 0 FCADMP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000984017315 665014073 /nfs/dbraw/zinc/01/40/73/665014073.db2.gz ZJXKGWKEIRLAKX-GKLJAUDBSA-N 2 1 350.463 0.941 20 0 FCADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000895668779 665054596 /nfs/dbraw/zinc/05/45/96/665054596.db2.gz RAQOGVCJDSWGSU-GOSISDBHSA-N 2 1 351.491 0.811 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000896300263 665079774 /nfs/dbraw/zinc/07/97/74/665079774.db2.gz FVQRPCXOTQMQGL-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000896300263 665079777 /nfs/dbraw/zinc/07/97/77/665079777.db2.gz FVQRPCXOTQMQGL-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000896300263 665079780 /nfs/dbraw/zinc/07/97/80/665079780.db2.gz FVQRPCXOTQMQGL-YLFCFFPRSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897007307 665140132 /nfs/dbraw/zinc/14/01/32/665140132.db2.gz XKEITSGSMIPMNL-MSOLQXFVSA-N 2 1 351.491 0.857 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(CO)C(=O)OC)CC2)CC1 ZINC000909591292 665162480 /nfs/dbraw/zinc/16/24/80/665162480.db2.gz WIKPORVCCZQSHT-GOSISDBHSA-N 2 1 355.479 0.223 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987463988 665255297 /nfs/dbraw/zinc/25/52/97/665255297.db2.gz LULSCNPGHWXSRH-HYVNUMGLSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897480355 665292238 /nfs/dbraw/zinc/29/22/38/665292238.db2.gz XMEWPTGIGCJRLP-INIZCTEOSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@H+]1C ZINC000988992512 665333316 /nfs/dbraw/zinc/33/33/16/665333316.db2.gz UCTMUQIBXHTJED-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC[NH+]1C ZINC000988992512 665333321 /nfs/dbraw/zinc/33/33/21/665333321.db2.gz UCTMUQIBXHTJED-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC000988992512 665333326 /nfs/dbraw/zinc/33/33/26/665333326.db2.gz UCTMUQIBXHTJED-TWMKSMIVSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)c2cccs2)CC1 ZINC000905874595 666040239 /nfs/dbraw/zinc/04/02/39/666040239.db2.gz ACLRTTHPKJMTKW-JZXOWHBKSA-N 2 1 369.531 0.529 20 0 FCADMP CN1CCC([NH+]2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000906464932 666053970 /nfs/dbraw/zinc/05/39/70/666053970.db2.gz HMROWAJNIIXYRV-UHFFFAOYSA-N 2 1 351.539 0.155 20 0 FCADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000906813481 666069275 /nfs/dbraw/zinc/06/92/75/666069275.db2.gz DGYBUTHPPAATKE-MRXNPFEDSA-N 2 1 352.523 0.630 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000907041438 666088587 /nfs/dbraw/zinc/08/85/87/666088587.db2.gz AALROIVZTPKBGO-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000907041438 666088588 /nfs/dbraw/zinc/08/85/88/666088588.db2.gz AALROIVZTPKBGO-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000907041438 666088589 /nfs/dbraw/zinc/08/85/89/666088589.db2.gz AALROIVZTPKBGO-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000907515698 666140683 /nfs/dbraw/zinc/14/06/83/666140683.db2.gz CLYOGPYLQXLHAR-ROUUACIJSA-N 2 1 354.539 0.706 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000910627390 666256707 /nfs/dbraw/zinc/25/67/07/666256707.db2.gz DMOQLEVFGUMPBL-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000910627390 666256710 /nfs/dbraw/zinc/25/67/10/666256710.db2.gz DMOQLEVFGUMPBL-UHFFFAOYSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000910679895 666263706 /nfs/dbraw/zinc/26/37/06/666263706.db2.gz QYKPYAMOLGQTHS-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000910679895 666263707 /nfs/dbraw/zinc/26/37/07/666263707.db2.gz QYKPYAMOLGQTHS-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000910679895 666263708 /nfs/dbraw/zinc/26/37/08/666263708.db2.gz QYKPYAMOLGQTHS-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000910679895 666263709 /nfs/dbraw/zinc/26/37/09/666263709.db2.gz QYKPYAMOLGQTHS-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000910698622 666268263 /nfs/dbraw/zinc/26/82/63/666268263.db2.gz DJFAUHNJDDHWJF-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000910698622 666268266 /nfs/dbraw/zinc/26/82/66/666268266.db2.gz DJFAUHNJDDHWJF-MRXNPFEDSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000911053166 666305780 /nfs/dbraw/zinc/30/57/80/666305780.db2.gz NDSWTMUNBGAZTD-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000911053166 666305783 /nfs/dbraw/zinc/30/57/83/666305783.db2.gz NDSWTMUNBGAZTD-QLFBSQMISA-N 2 1 354.495 0.188 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000911034504 666307442 /nfs/dbraw/zinc/30/74/42/666307442.db2.gz OJSIUGKVGJLSJY-FPCVCCKLSA-N 2 1 354.495 0.045 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911091638 666310575 /nfs/dbraw/zinc/31/05/75/666310575.db2.gz NWIZKTUCAFQYAG-BBWFWOEESA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000991421989 666492486 /nfs/dbraw/zinc/49/24/86/666492486.db2.gz STXSDEGDWPIDDK-HLLBOEOZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)C3CCCCC3)C2)O1 ZINC001031765940 666496431 /nfs/dbraw/zinc/49/64/31/666496431.db2.gz VUKSFXWZTMDYBU-FHLIZLRMSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)C3CCCCC3)C2)O1 ZINC001031765940 666496435 /nfs/dbraw/zinc/49/64/35/666496435.db2.gz VUKSFXWZTMDYBU-FHLIZLRMSA-N 2 1 353.507 0.695 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000913179902 666510338 /nfs/dbraw/zinc/51/03/38/666510338.db2.gz OESUJNUJBKLBKI-XWTMOSNGSA-N 2 1 351.491 0.807 20 0 FCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000913331191 666522058 /nfs/dbraw/zinc/52/20/58/666522058.db2.gz MSLURXFZNRRRFZ-UHFFFAOYSA-N 2 1 352.523 0.583 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C)C1 ZINC000940300083 666545701 /nfs/dbraw/zinc/54/57/01/666545701.db2.gz DMXDKVKEDZZNPR-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1 ZINC000940300083 666545704 /nfs/dbraw/zinc/54/57/04/666545704.db2.gz DMXDKVKEDZZNPR-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1 ZINC000940300083 666545707 /nfs/dbraw/zinc/54/57/07/666545707.db2.gz DMXDKVKEDZZNPR-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000941486074 666633828 /nfs/dbraw/zinc/63/38/28/666633828.db2.gz ISZQJBIEKIHZFN-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP CC[C@@H](C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000941486074 666633831 /nfs/dbraw/zinc/63/38/31/666633831.db2.gz ISZQJBIEKIHZFN-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP CC[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920016 666668060 /nfs/dbraw/zinc/66/80/60/666668060.db2.gz FMRGRPUIHKFSSL-DLBZAZTESA-N 2 1 356.511 0.753 20 0 FCADMP CC[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000913920016 666668064 /nfs/dbraw/zinc/66/80/64/666668064.db2.gz FMRGRPUIHKFSSL-DLBZAZTESA-N 2 1 356.511 0.753 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000419407278 674761137 /nfs/dbraw/zinc/76/11/37/674761137.db2.gz KAGMVVCGPXEZJD-FCEWJHQRSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCCCC1 ZINC000731757268 666837524 /nfs/dbraw/zinc/83/75/24/666837524.db2.gz WLNFPLGYEQZCED-HNNXBMFYSA-N 2 1 353.511 0.713 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1)[NH+](C)C ZINC000945388594 666879000 /nfs/dbraw/zinc/87/90/00/666879000.db2.gz YICAXFVILDFDBG-FXUDXRNXSA-N 2 1 354.495 0.153 20 0 FCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)c1nc(CNC(=O)[C@H]2CC[NH+](C)C2)cs1 ZINC000732911754 666909610 /nfs/dbraw/zinc/90/96/10/666909610.db2.gz GWIZWIQAXVXVAA-STQMWFEESA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC000732911754 666909613 /nfs/dbraw/zinc/90/96/13/666909613.db2.gz GWIZWIQAXVXVAA-STQMWFEESA-N 2 1 365.503 0.626 20 0 FCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC000732911754 666909616 /nfs/dbraw/zinc/90/96/16/666909616.db2.gz GWIZWIQAXVXVAA-STQMWFEESA-N 2 1 365.503 0.626 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993846222 666943390 /nfs/dbraw/zinc/94/33/90/666943390.db2.gz XXPCAVJGMRTDIM-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000993846222 666943391 /nfs/dbraw/zinc/94/33/91/666943391.db2.gz XXPCAVJGMRTDIM-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000993846222 666943392 /nfs/dbraw/zinc/94/33/92/666943392.db2.gz XXPCAVJGMRTDIM-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP S=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000735983228 667063729 /nfs/dbraw/zinc/06/37/29/667063729.db2.gz QPDRJTUQVXAPQL-INIZCTEOSA-N 2 1 370.563 0.674 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997102083 667088009 /nfs/dbraw/zinc/08/80/09/667088009.db2.gz VDZNVJKOIDSLPG-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000919841523 667203070 /nfs/dbraw/zinc/20/30/70/667203070.db2.gz AAUOHNCCEBBGSC-CVEARBPZSA-N 2 1 369.535 0.919 20 0 FCADMP C[NH+]1CCC(NC(=S)NC[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000920309179 667234439 /nfs/dbraw/zinc/23/44/39/667234439.db2.gz AIHWFOPWEDRQHT-INIZCTEOSA-N 2 1 369.579 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000999895522 667252602 /nfs/dbraw/zinc/25/26/02/667252602.db2.gz DUNQELNZAWVGAZ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000999895522 667252607 /nfs/dbraw/zinc/25/26/07/667252607.db2.gz DUNQELNZAWVGAZ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC[NH+]1C ZINC000999895522 667252613 /nfs/dbraw/zinc/25/26/13/667252613.db2.gz DUNQELNZAWVGAZ-JKSUJKDBSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCF)C3)nn2)CC[N@H+]1C ZINC000999988056 667259378 /nfs/dbraw/zinc/25/93/78/667259378.db2.gz SKRPUTHGKCDPSB-FVQBIDKESA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCCF)C3)nn2)CC[NH+]1C ZINC000999988056 667259382 /nfs/dbraw/zinc/25/93/82/667259382.db2.gz SKRPUTHGKCDPSB-FVQBIDKESA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCCF)C3)nn2)CC[NH+]1C ZINC000999988056 667259385 /nfs/dbraw/zinc/25/93/85/667259385.db2.gz SKRPUTHGKCDPSB-FVQBIDKESA-N 2 1 352.458 0.841 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001031681861 667264765 /nfs/dbraw/zinc/26/47/65/667264765.db2.gz MPOJPZBYQHRFLY-CZUORRHYSA-N 2 1 357.520 0.199 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001031681861 667264767 /nfs/dbraw/zinc/26/47/67/667264767.db2.gz MPOJPZBYQHRFLY-CZUORRHYSA-N 2 1 357.520 0.199 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031686124 667268802 /nfs/dbraw/zinc/26/88/02/667268802.db2.gz JKRWNCPJZFVYAO-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031686124 667268806 /nfs/dbraw/zinc/26/88/06/667268806.db2.gz JKRWNCPJZFVYAO-HYVNUMGLSA-N 2 1 371.547 0.590 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001001889672 667513846 /nfs/dbraw/zinc/51/38/46/667513846.db2.gz QYAVVQQVGWNEEW-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001001889672 667513848 /nfs/dbraw/zinc/51/38/48/667513848.db2.gz QYAVVQQVGWNEEW-OIISXLGYSA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001002247447 667526601 /nfs/dbraw/zinc/52/66/01/667526601.db2.gz KUBSIXHJFVXYSJ-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002247367 667526641 /nfs/dbraw/zinc/52/66/41/667526641.db2.gz KBKWREYBVHMZOE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002247367 667526645 /nfs/dbraw/zinc/52/66/45/667526645.db2.gz KBKWREYBVHMZOE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002247367 667526650 /nfs/dbraw/zinc/52/66/50/667526650.db2.gz KBKWREYBVHMZOE-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001002258795 667528362 /nfs/dbraw/zinc/52/83/62/667528362.db2.gz SCOGOVTYEGWYLC-DLBZAZTESA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001002260300 667528849 /nfs/dbraw/zinc/52/88/49/667528849.db2.gz OFPXBOLIXZUZMR-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001002260300 667528850 /nfs/dbraw/zinc/52/88/50/667528850.db2.gz OFPXBOLIXZUZMR-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001002260300 667528852 /nfs/dbraw/zinc/52/88/52/667528852.db2.gz OFPXBOLIXZUZMR-HYVNUMGLSA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)N1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001002860608 667571310 /nfs/dbraw/zinc/57/13/10/667571310.db2.gz LRUGVDCMQXJNMJ-OIISXLGYSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC3CCCC3)CC2)CC[N@@H+]1C ZINC001002853368 667571422 /nfs/dbraw/zinc/57/14/22/667571422.db2.gz YRQCVMCNISNKGP-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NC3CCCC3)CC2)CC[N@H+]1C ZINC001002853368 667571426 /nfs/dbraw/zinc/57/14/26/667571426.db2.gz YRQCVMCNISNKGP-RHSMWYFYSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000961849686 674831288 /nfs/dbraw/zinc/83/12/88/674831288.db2.gz QLKIBGRNZNNBQA-BLYZHGLHSA-N 2 1 350.467 0.460 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000961849686 674831292 /nfs/dbraw/zinc/83/12/92/674831292.db2.gz QLKIBGRNZNNBQA-BLYZHGLHSA-N 2 1 350.467 0.460 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922348674 667642657 /nfs/dbraw/zinc/64/26/57/667642657.db2.gz ZFMLZMBWILCZLU-GOSISDBHSA-N 2 1 352.523 0.631 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595100 667676027 /nfs/dbraw/zinc/67/60/27/667676027.db2.gz INPQZLKTMRNWID-BPKGMFCQSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595100 667676030 /nfs/dbraw/zinc/67/60/30/667676030.db2.gz INPQZLKTMRNWID-BPKGMFCQSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595100 667676033 /nfs/dbraw/zinc/67/60/33/667676033.db2.gz INPQZLKTMRNWID-BPKGMFCQSA-N 2 1 350.507 0.632 20 0 FCADMP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640619 667699671 /nfs/dbraw/zinc/69/96/71/667699671.db2.gz UYVQKPPENBYMCF-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640619 667699673 /nfs/dbraw/zinc/69/96/73/667699673.db2.gz UYVQKPPENBYMCF-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640619 667699676 /nfs/dbraw/zinc/69/96/76/667699676.db2.gz UYVQKPPENBYMCF-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640619 667699679 /nfs/dbraw/zinc/69/96/79/667699679.db2.gz UYVQKPPENBYMCF-HSFUPAIVSA-N 2 1 353.507 0.911 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(Cc3cncc(F)c3)C2)O1 ZINC001033186701 667713524 /nfs/dbraw/zinc/71/35/24/667713524.db2.gz YKUFHIPEWOBNTM-KBRIMQKVSA-N 2 1 350.438 0.973 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(Cc3cncc(F)c3)C2)O1 ZINC001033186701 667713528 /nfs/dbraw/zinc/71/35/28/667713528.db2.gz YKUFHIPEWOBNTM-KBRIMQKVSA-N 2 1 350.438 0.973 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001005414764 667740402 /nfs/dbraw/zinc/74/04/02/667740402.db2.gz HPJNWQZZRAYRRB-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001005414907 667740633 /nfs/dbraw/zinc/74/06/33/667740633.db2.gz IXMIBJPZJLAHCT-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001005414907 667740637 /nfs/dbraw/zinc/74/06/37/667740637.db2.gz IXMIBJPZJLAHCT-DLBZAZTESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001034647849 667762114 /nfs/dbraw/zinc/76/21/14/667762114.db2.gz QFNBDNKMSFQSML-ZHCJQAHYSA-N 2 1 371.547 0.778 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC001034674621 667763780 /nfs/dbraw/zinc/76/37/80/667763780.db2.gz LADGZYUCUSSWRR-OXGONZEZSA-N 2 1 352.479 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCCNC3=O)CC2)O1 ZINC001034674621 667763782 /nfs/dbraw/zinc/76/37/82/667763782.db2.gz LADGZYUCUSSWRR-OXGONZEZSA-N 2 1 352.479 0.001 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCC3CCOCC3)CCO2)CC[N@H+]1C ZINC001035371985 667776503 /nfs/dbraw/zinc/77/65/03/667776503.db2.gz JQANKTFDXOSHGW-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCC3CCOCC3)CCO2)CC[NH+]1C ZINC001035371985 667776506 /nfs/dbraw/zinc/77/65/06/667776506.db2.gz JQANKTFDXOSHGW-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCC3CCOCC3)CCO2)CC[NH+]1C ZINC001035371985 667776509 /nfs/dbraw/zinc/77/65/09/667776509.db2.gz JQANKTFDXOSHGW-KBAYOESNSA-N 2 1 353.507 0.960 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331872 667826463 /nfs/dbraw/zinc/82/64/63/667826463.db2.gz PDPJTTYEYJOFPZ-ZBFHGGJFSA-N 2 1 359.536 0.673 20 0 FCADMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000923331872 667826465 /nfs/dbraw/zinc/82/64/65/667826465.db2.gz PDPJTTYEYJOFPZ-ZBFHGGJFSA-N 2 1 359.536 0.673 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476910 667850820 /nfs/dbraw/zinc/85/08/20/667850820.db2.gz LDJIZRYHSLFKRZ-INIZCTEOSA-N 2 1 369.579 0.735 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001006183551 667856839 /nfs/dbraw/zinc/85/68/39/667856839.db2.gz YVAGPXDHNYXVCV-JJRVBVJISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001006183551 667856842 /nfs/dbraw/zinc/85/68/42/667856842.db2.gz YVAGPXDHNYXVCV-JJRVBVJISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001006183551 667856846 /nfs/dbraw/zinc/85/68/46/667856846.db2.gz YVAGPXDHNYXVCV-JJRVBVJISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000774839925 668176989 /nfs/dbraw/zinc/17/69/89/668176989.db2.gz CHAJZFQPPDYRMH-CABCVRRESA-N 2 1 350.463 0.989 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000782970209 668590969 /nfs/dbraw/zinc/59/09/69/668590969.db2.gz HMLSUQVSMUVILT-QGZVFWFLSA-N 2 1 354.495 0.651 20 0 FCADMP O=C(NCC[N@H+]1CCCOCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000782970202 668591107 /nfs/dbraw/zinc/59/11/07/668591107.db2.gz HMLSUQVSMUVILT-KRWDZBQOSA-N 2 1 354.495 0.651 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000788609842 668834617 /nfs/dbraw/zinc/83/46/17/668834617.db2.gz HXGPQMPDJMKJRN-JKSUJKDBSA-N 2 1 353.488 0.890 20 0 FCADMP CCOCC[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790363574 668875377 /nfs/dbraw/zinc/87/53/77/668875377.db2.gz UTPZZVLNLGYRBE-SFHVURJKSA-N 2 1 352.479 0.515 20 0 FCADMP CC(C)[N@H+](C)CC1CC[NH+](CN2CC3(CCOCC3)[C@@H](O)C2=O)CC1 ZINC000840002058 669345658 /nfs/dbraw/zinc/34/56/58/669345658.db2.gz FPYWCWITUYYECU-KRWDZBQOSA-N 2 1 353.507 0.996 20 0 FCADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC3(CCOCC3)[C@@H](O)C2=O)CC1 ZINC000840002058 669345663 /nfs/dbraw/zinc/34/56/63/669345663.db2.gz FPYWCWITUYYECU-KRWDZBQOSA-N 2 1 353.507 0.996 20 0 FCADMP CO[C@@H]1C[C@H]([N@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140421 669568832 /nfs/dbraw/zinc/56/88/32/669568832.db2.gz NXPXXYBLVGHLNW-UONOGXRCSA-N 2 1 350.463 0.850 20 0 FCADMP CO[C@@H]1C[C@H]([N@@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C12CCC2 ZINC000840140421 669568834 /nfs/dbraw/zinc/56/88/34/669568834.db2.gz NXPXXYBLVGHLNW-UONOGXRCSA-N 2 1 350.463 0.850 20 0 FCADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834846537 669979270 /nfs/dbraw/zinc/97/92/70/669979270.db2.gz ZGXZQMDYJFECQL-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834846537 669979271 /nfs/dbraw/zinc/97/92/71/669979271.db2.gz ZGXZQMDYJFECQL-OAGGEKHMSA-N 2 1 356.511 0.401 20 0 FCADMP CCOC(=O)C1=C(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)NC(=O)N[C@H]1C ZINC000818340518 670097586 /nfs/dbraw/zinc/09/75/86/670097586.db2.gz OMMNWSINEIUVBA-STQMWFEESA-N 2 1 350.463 0.969 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841155852 670537551 /nfs/dbraw/zinc/53/75/51/670537551.db2.gz YWXSZECBQQOVTE-UHFFFAOYSA-N 2 1 367.881 0.756 20 0 FCADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2Cl)CC1 ZINC000841171408 670539061 /nfs/dbraw/zinc/53/90/61/670539061.db2.gz PGUFAFXSFZKAEP-UHFFFAOYSA-N 2 1 367.881 0.884 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H]1C ZINC000843246290 670783012 /nfs/dbraw/zinc/78/30/12/670783012.db2.gz PPRIBDYUWNBWPN-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H]1C ZINC000843246290 670783017 /nfs/dbraw/zinc/78/30/17/670783017.db2.gz PPRIBDYUWNBWPN-IYBDPMFKSA-N 2 1 354.495 0.108 20 0 FCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363833 670807084 /nfs/dbraw/zinc/80/70/84/670807084.db2.gz CVMLKEBGGLULED-CYBMUJFWSA-N 2 1 366.487 0.737 20 0 FCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364948 670807999 /nfs/dbraw/zinc/80/79/99/670807999.db2.gz WZKPHDGTSUUJIV-STQMWFEESA-N 2 1 351.451 0.332 20 0 FCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364728 670808334 /nfs/dbraw/zinc/80/83/34/670808334.db2.gz NMFMPWOFKYCIHK-UHFFFAOYSA-N 2 1 366.487 0.656 20 0 FCADMP CCOC(=O)C1=C(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)NC(=O)N[C@@H]1C ZINC000843385762 670810903 /nfs/dbraw/zinc/81/09/03/670810903.db2.gz VYSIJLMCYPZHKQ-TZMCWYRMSA-N 2 1 350.463 0.826 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000967980863 675167864 /nfs/dbraw/zinc/16/78/64/675167864.db2.gz WANPEWQCHMMIOT-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000967980863 675167865 /nfs/dbraw/zinc/16/78/65/675167865.db2.gz WANPEWQCHMMIOT-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000967980863 675167866 /nfs/dbraw/zinc/16/78/66/675167866.db2.gz WANPEWQCHMMIOT-BHYGNILZSA-N 2 1 350.507 0.728 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000968010510 675177732 /nfs/dbraw/zinc/17/77/32/675177732.db2.gz RCXZVHRRPORBIC-DJIMGWMZSA-N 2 1 352.523 0.972 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051252 671316464 /nfs/dbraw/zinc/31/64/64/671316464.db2.gz CSLIROYUTHFPTP-QWHCGFSZSA-N 2 1 351.417 0.848 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccc(F)cc1 ZINC000849066885 671316536 /nfs/dbraw/zinc/31/65/36/671316536.db2.gz FQRSGNWBLBUTBX-UHFFFAOYSA-N 2 1 351.426 0.392 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000849109141 671318175 /nfs/dbraw/zinc/31/81/75/671318175.db2.gz WFHFHUAUYJKLKG-AWEZNQCLSA-N 2 1 353.492 0.741 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852771866 671525059 /nfs/dbraw/zinc/52/50/59/671525059.db2.gz JBFWZYYTTALIPA-MRXNPFEDSA-N 2 1 351.491 0.906 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852771865 671525086 /nfs/dbraw/zinc/52/50/86/671525086.db2.gz JBFWZYYTTALIPA-INIZCTEOSA-N 2 1 351.491 0.906 20 0 FCADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)[C@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000859243324 671803719 /nfs/dbraw/zinc/80/37/19/671803719.db2.gz ASSDYGVOMJOWRH-HDICACEKSA-N 2 1 374.598 0.861 20 0 FCADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)[C@@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000859243324 671803722 /nfs/dbraw/zinc/80/37/22/671803722.db2.gz ASSDYGVOMJOWRH-HDICACEKSA-N 2 1 374.598 0.861 20 0 FCADMP C[NH+](CC[Si](C)(C)CC[N@@H+](C)[C@@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000859243324 671803725 /nfs/dbraw/zinc/80/37/25/671803725.db2.gz ASSDYGVOMJOWRH-HDICACEKSA-N 2 1 374.598 0.861 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758442 675968913 /nfs/dbraw/zinc/96/89/13/675968913.db2.gz JYTYXKUZYNPKNG-JKSUJKDBSA-N 2 1 359.536 0.749 20 0 FCADMP COCC[N@H+]1CCCN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC000864797065 672210714 /nfs/dbraw/zinc/21/07/14/672210714.db2.gz RUUOPDBACDVVGQ-GOEBONIOSA-N 2 1 350.467 0.515 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(F)(F)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000865942797 672257364 /nfs/dbraw/zinc/25/73/64/672257364.db2.gz CFSWBCHIRBTFRV-AAVRWANBSA-N 2 1 360.449 0.820 20 0 FCADMP C[NH+]1CC=C(CNC(=O)C(F)(F)C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000865969894 672258282 /nfs/dbraw/zinc/25/82/82/672258282.db2.gz JGDFJCLSMTZJRA-UHFFFAOYSA-N 2 1 356.417 0.378 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(F)F)CC2)CC[N@@H+]1C ZINC001055486679 676021282 /nfs/dbraw/zinc/02/12/82/676021282.db2.gz ILNKOWJGLZTWAE-UONOGXRCSA-N 2 1 360.449 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(F)F)CC2)CC[N@H+]1C ZINC001055486679 676021284 /nfs/dbraw/zinc/02/12/84/676021284.db2.gz ILNKOWJGLZTWAE-UONOGXRCSA-N 2 1 360.449 0.679 20 0 FCADMP CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055499020 676021511 /nfs/dbraw/zinc/02/15/11/676021511.db2.gz QQVBVZLQXKVAEV-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055499020 676021512 /nfs/dbraw/zinc/02/15/12/676021512.db2.gz QQVBVZLQXKVAEV-GDBMZVCRSA-N 2 1 354.495 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(C)(C)F)CC2)CC[N@H+]1C ZINC001055583317 676025442 /nfs/dbraw/zinc/02/54/42/676025442.db2.gz ISOULCCMKRCEEP-UKRRQHHQSA-N 2 1 356.486 0.772 20 0 FCADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1)N1CC[NH2+]CC1 ZINC000872141325 672593854 /nfs/dbraw/zinc/59/38/54/672593854.db2.gz FSVKCSYDMPVVMW-DLBZAZTESA-N 2 1 351.491 0.716 20 0 FCADMP CS(=O)(=O)CCOCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872204544 672605432 /nfs/dbraw/zinc/60/54/32/672605432.db2.gz WYIWKVVIKJRLFS-KRWDZBQOSA-N 2 1 356.488 0.274 20 0 FCADMP CS(=O)(=O)CCOCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872204544 672605435 /nfs/dbraw/zinc/60/54/35/672605435.db2.gz WYIWKVVIKJRLFS-KRWDZBQOSA-N 2 1 356.488 0.274 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162547 676051724 /nfs/dbraw/zinc/05/17/24/676051724.db2.gz YSKDKTPQNUNCDR-IIAWOOMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)CC[N@@H+]1C ZINC001051624570 676107285 /nfs/dbraw/zinc/10/72/85/676107285.db2.gz RORGAXOXLOWKHY-MGPQQGTHSA-N 2 1 369.897 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(Cl)n3C)C2)CC[N@H+]1C ZINC001051624570 676107288 /nfs/dbraw/zinc/10/72/88/676107288.db2.gz RORGAXOXLOWKHY-MGPQQGTHSA-N 2 1 369.897 0.731 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cn2)CC1 ZINC000883366815 673372093 /nfs/dbraw/zinc/37/20/93/673372093.db2.gz AGBYEOLZYPCDMV-NSHDSACASA-N 2 1 369.338 0.877 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000883538587 673381887 /nfs/dbraw/zinc/38/18/87/673381887.db2.gz YUUWBUXPWZUIJK-PBHICJAKSA-N 2 1 354.495 0.648 20 0 FCADMP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000883538587 673381890 /nfs/dbraw/zinc/38/18/90/673381890.db2.gz YUUWBUXPWZUIJK-PBHICJAKSA-N 2 1 354.495 0.648 20 0 FCADMP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230570 673440310 /nfs/dbraw/zinc/44/03/10/673440310.db2.gz VDWIQDCANUIVGE-PBHICJAKSA-N 2 1 351.447 0.758 20 0 FCADMP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230570 673440311 /nfs/dbraw/zinc/44/03/11/673440311.db2.gz VDWIQDCANUIVGE-PBHICJAKSA-N 2 1 351.447 0.758 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000884513842 673459188 /nfs/dbraw/zinc/45/91/88/673459188.db2.gz SQDZHRSMOIECCG-OLZOCXBDSA-N 2 1 364.412 0.730 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000884513842 673459191 /nfs/dbraw/zinc/45/91/91/673459191.db2.gz SQDZHRSMOIECCG-OLZOCXBDSA-N 2 1 364.412 0.730 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000884522769 673459663 /nfs/dbraw/zinc/45/96/63/673459663.db2.gz HOHISSFOJAHNIK-LBPRGKRZSA-N 2 1 352.504 0.855 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000884522769 673459668 /nfs/dbraw/zinc/45/96/68/673459668.db2.gz HOHISSFOJAHNIK-LBPRGKRZSA-N 2 1 352.504 0.855 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000884523201 673459775 /nfs/dbraw/zinc/45/97/75/673459775.db2.gz RSNFLBIWPVQVIP-VNHYZAJKSA-N 2 1 364.515 0.664 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000884523201 673459779 /nfs/dbraw/zinc/45/97/79/673459779.db2.gz RSNFLBIWPVQVIP-VNHYZAJKSA-N 2 1 364.515 0.664 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccsc1 ZINC000884576138 673463193 /nfs/dbraw/zinc/46/31/93/673463193.db2.gz ATGLHECRYQMRPP-SOUVJXGZSA-N 2 1 350.488 0.820 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000884623796 673466905 /nfs/dbraw/zinc/46/69/05/673466905.db2.gz OWVSJAUHLUHSBV-AUUYWEPGSA-N 2 1 350.507 0.977 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@H]21 ZINC000884708318 673475598 /nfs/dbraw/zinc/47/55/98/673475598.db2.gz UVZKTMGPVSMAKB-DOTOQJQBSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)CC[C@H]21 ZINC000884708319 673475752 /nfs/dbraw/zinc/47/57/52/673475752.db2.gz UVZKTMGPVSMAKB-NVXWUHKLSA-N 2 1 350.507 0.968 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000885144457 673505643 /nfs/dbraw/zinc/50/56/43/673505643.db2.gz IFSGVNPQGTZGSM-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885276509 673511448 /nfs/dbraw/zinc/51/14/48/673511448.db2.gz SRMPJESLPNYANX-HZSPNIEDSA-N 2 1 358.433 0.290 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285337 673512172 /nfs/dbraw/zinc/51/21/72/673512172.db2.gz OYIHRMGKHHZRDU-ZDUSSCGKSA-N 2 1 360.449 0.680 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285564 673512228 /nfs/dbraw/zinc/51/22/28/673512228.db2.gz QXHNSZCTSZMVRF-KBPBESRZSA-N 2 1 360.449 0.442 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885285765 673512270 /nfs/dbraw/zinc/51/22/70/673512270.db2.gz SSCXGTQYRHEEQV-ZIAGYGMSSA-N 2 1 360.449 0.538 20 0 FCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885291521 673513134 /nfs/dbraw/zinc/51/31/34/673513134.db2.gz OVDSATPWGKQNOE-KGLIPLIRSA-N 2 1 360.449 0.680 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889749502 673684887 /nfs/dbraw/zinc/68/48/87/673684887.db2.gz IGPXJNRRCNHWLW-QZTJIDSGSA-N 2 1 352.523 0.460 20 0 FCADMP C[C@H]1C[N@@H+](CCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CCCO1 ZINC000924741186 673762375 /nfs/dbraw/zinc/76/23/75/673762375.db2.gz GJABVUTYYNQTNS-HOTGVXAUSA-N 2 1 352.479 0.894 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925276357 673785340 /nfs/dbraw/zinc/78/53/40/673785340.db2.gz ZAFDHIGWWZSXEH-KGLIPLIRSA-N 2 1 365.503 0.519 20 0 FCADMP CN1CC[NH+](C(C)(C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925279210 673785792 /nfs/dbraw/zinc/78/57/92/673785792.db2.gz LZVQDSDEIDATSS-OAHLLOKOSA-N 2 1 351.495 0.419 20 0 FCADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925708626 673798964 /nfs/dbraw/zinc/79/89/64/673798964.db2.gz RXFPBYIFEFVHIZ-ZDUSSCGKSA-N 2 1 351.472 0.858 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000926360911 673826865 /nfs/dbraw/zinc/82/68/65/673826865.db2.gz KEPFFHQQLVEGDD-JKSUJKDBSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000926360911 673826867 /nfs/dbraw/zinc/82/68/67/673826867.db2.gz KEPFFHQQLVEGDD-JKSUJKDBSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@@H+]1CCOC ZINC000926360908 673826878 /nfs/dbraw/zinc/82/68/78/673826878.db2.gz KEPFFHQQLVEGDD-CVEARBPZSA-N 2 1 354.495 0.143 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@H+]1CCOC ZINC000926360908 673826881 /nfs/dbraw/zinc/82/68/81/673826881.db2.gz KEPFFHQQLVEGDD-CVEARBPZSA-N 2 1 354.495 0.143 20 0 FCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000926445604 673831737 /nfs/dbraw/zinc/83/17/37/673831737.db2.gz XXWWGTMXKSIFOL-VVLHAWIVSA-N 2 1 350.507 0.761 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000926445604 673831742 /nfs/dbraw/zinc/83/17/42/673831742.db2.gz XXWWGTMXKSIFOL-VVLHAWIVSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642835 673875014 /nfs/dbraw/zinc/87/50/14/673875014.db2.gz ZAGFULGSCBEKCM-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927642835 673875016 /nfs/dbraw/zinc/87/50/16/673875016.db2.gz ZAGFULGSCBEKCM-DLBZAZTESA-N 2 1 354.495 0.338 20 0 FCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000930178796 674004298 /nfs/dbraw/zinc/00/42/98/674004298.db2.gz BCGZFFFOBNJNIS-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000930178796 674004300 /nfs/dbraw/zinc/00/43/00/674004300.db2.gz BCGZFFFOBNJNIS-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000930178796 674004301 /nfs/dbraw/zinc/00/43/01/674004301.db2.gz BCGZFFFOBNJNIS-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000930178796 674004303 /nfs/dbraw/zinc/00/43/03/674004303.db2.gz BCGZFFFOBNJNIS-PMPSAXMXSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000969071858 675268408 /nfs/dbraw/zinc/26/84/08/675268408.db2.gz KCPIPINAVJNYCO-BPLDGKMQSA-N 2 1 355.870 0.446 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCn3cc(Cl)cn3)C2)O1 ZINC000969071858 675268409 /nfs/dbraw/zinc/26/84/09/675268409.db2.gz KCPIPINAVJNYCO-BPLDGKMQSA-N 2 1 355.870 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001007377602 675288588 /nfs/dbraw/zinc/28/85/88/675288588.db2.gz WXWOKUXXHGRQLC-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)CC[N@H+]1C ZINC001008206997 675311014 /nfs/dbraw/zinc/31/10/14/675311014.db2.gz GTNJHPNMDLVUIW-OAGGEKHMSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC[N@H+]1C ZINC001011211585 675377222 /nfs/dbraw/zinc/37/72/22/675377222.db2.gz BFYFMULXVYTWPX-GVDBMIGSSA-N 2 1 350.507 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001018865112 675417779 /nfs/dbraw/zinc/41/77/79/675417779.db2.gz DGAJNPDBARACIM-VNQPRFMTSA-N 2 1 357.520 0.342 20 0 FCADMP COCc1noc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001020171293 675436358 /nfs/dbraw/zinc/43/63/58/675436358.db2.gz VUALUKQCFRJLFR-ZUWCUPBKSA-N 2 1 351.451 0.854 20 0 FCADMP COCc1noc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001020171293 675436365 /nfs/dbraw/zinc/43/63/65/675436365.db2.gz VUALUKQCFRJLFR-ZUWCUPBKSA-N 2 1 351.451 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)CC[N@H+]1C ZINC001040211147 675459972 /nfs/dbraw/zinc/45/99/72/675459972.db2.gz ULEDLZLEBHDJSS-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001040211147 675459974 /nfs/dbraw/zinc/45/99/74/675459974.db2.gz ULEDLZLEBHDJSS-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)CC[NH+]1C ZINC001040211147 675459976 /nfs/dbraw/zinc/45/99/76/675459976.db2.gz ULEDLZLEBHDJSS-MDZRGWNJSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NC)CC3)CC[N@H+]1C ZINC001040705044 675469200 /nfs/dbraw/zinc/46/92/00/675469200.db2.gz BIIXWULKKIWKQW-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001045443528 675653818 /nfs/dbraw/zinc/65/38/18/675653818.db2.gz QNBICQQXGSUWEU-HUUCEWRRSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@H+]1C ZINC001045445151 675654130 /nfs/dbraw/zinc/65/41/30/675654130.db2.gz VRMSHVFCEACPDP-MCIONIFRSA-N 2 1 350.463 0.103 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900612655 675699785 /nfs/dbraw/zinc/69/97/85/675699785.db2.gz MGCNXWCBPCQAGB-HZPDHXFCSA-N 2 1 351.495 0.371 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001046331025 675709112 /nfs/dbraw/zinc/70/91/12/675709112.db2.gz ZWEIBEMASUBJCA-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001046331025 675709114 /nfs/dbraw/zinc/70/91/14/675709114.db2.gz ZWEIBEMASUBJCA-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)CC[NH+]1C ZINC001046331025 675709115 /nfs/dbraw/zinc/70/91/15/675709115.db2.gz ZWEIBEMASUBJCA-FRQCXROJSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3=CCCCC3)C[C@@H]2O)O1 ZINC001047428562 675799396 /nfs/dbraw/zinc/79/93/96/675799396.db2.gz LLPRCJCNOKTRSE-LAVFITLUSA-N 2 1 351.491 0.709 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CC3=CCCCC3)C[C@@H]2O)O1 ZINC001047428562 675799399 /nfs/dbraw/zinc/79/93/99/675799399.db2.gz LLPRCJCNOKTRSE-LAVFITLUSA-N 2 1 351.491 0.709 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2O)O1 ZINC001047428562 675799403 /nfs/dbraw/zinc/79/94/03/675799403.db2.gz LLPRCJCNOKTRSE-LAVFITLUSA-N 2 1 351.491 0.709 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2O)O1 ZINC001047428562 675799406 /nfs/dbraw/zinc/79/94/06/675799406.db2.gz LLPRCJCNOKTRSE-LAVFITLUSA-N 2 1 351.491 0.709 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470079 1167767023 /nfs/dbraw/zinc/76/70/23/1167767023.db2.gz BQRVDZLKQGAZPW-LPHOPBHVSA-N 2 1 361.490 0.888 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112470381 1167767999 /nfs/dbraw/zinc/76/79/99/1167767999.db2.gz JYGJEZIXAKXSEX-GJYPPUQNSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958900 1168234870 /nfs/dbraw/zinc/23/48/70/1168234870.db2.gz OJABPHGNDZZINW-IIYDPXPESA-N 2 1 364.494 0.051 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958900 1168234888 /nfs/dbraw/zinc/23/48/88/1168234888.db2.gz OJABPHGNDZZINW-IIYDPXPESA-N 2 1 364.494 0.051 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970043003 1168302762 /nfs/dbraw/zinc/30/27/62/1168302762.db2.gz RPPIWISOAYVGLD-ZACQAIPSSA-N 2 1 369.473 0.246 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970043003 1168302764 /nfs/dbraw/zinc/30/27/64/1168302764.db2.gz RPPIWISOAYVGLD-ZACQAIPSSA-N 2 1 369.473 0.246 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241559 1168857403 /nfs/dbraw/zinc/85/74/03/1168857403.db2.gz IITUXQQZAJVHDW-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241559 1168857404 /nfs/dbraw/zinc/85/74/04/1168857404.db2.gz IITUXQQZAJVHDW-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001021241559 1168857406 /nfs/dbraw/zinc/85/74/06/1168857406.db2.gz IITUXQQZAJVHDW-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP COCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289092 1169394866 /nfs/dbraw/zinc/39/48/66/1169394866.db2.gz FFHWJNWTHHVHDR-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000644917447 1169867627 /nfs/dbraw/zinc/86/76/27/1169867627.db2.gz HAZQMRSSAZHDMZ-INIZCTEOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087134783 1169891357 /nfs/dbraw/zinc/89/13/57/1169891357.db2.gz GNRNNHUCMQEKKX-VNQPRFMTSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001087134783 1169891359 /nfs/dbraw/zinc/89/13/59/1169891359.db2.gz GNRNNHUCMQEKKX-VNQPRFMTSA-N 2 1 361.494 0.819 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001021703960 1169898723 /nfs/dbraw/zinc/89/87/23/1169898723.db2.gz KOWMBDJGCVLUTB-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP Cc1nccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001021712002 1169913775 /nfs/dbraw/zinc/91/37/75/1169913775.db2.gz IIDBRMIDBVDKFF-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001021712002 1169913786 /nfs/dbraw/zinc/91/37/86/1169913786.db2.gz IIDBRMIDBVDKFF-BHYGNILZSA-N 2 1 359.474 0.735 20 0 FCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891354247 1170008437 /nfs/dbraw/zinc/00/84/37/1170008437.db2.gz NBUJQQPZHHIPKA-OALUTQOASA-N 2 1 357.502 0.950 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021801194 1170073983 /nfs/dbraw/zinc/07/39/83/1170073983.db2.gz GAQHSLBNWPXICZ-JYYAWHABSA-N 2 1 359.474 0.660 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC001021803133 1170078597 /nfs/dbraw/zinc/07/85/97/1170078597.db2.gz RZFCXQMPXINBQY-YYIAUSFCSA-N 2 1 362.518 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nccn1C ZINC001104345162 1170124110 /nfs/dbraw/zinc/12/41/10/1170124110.db2.gz CTRPOBMMSVKSJV-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nccn1C ZINC001104345162 1170124128 /nfs/dbraw/zinc/12/41/28/1170124128.db2.gz CTRPOBMMSVKSJV-QBPKDAKJSA-N 2 1 363.506 0.713 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891386391 1170261721 /nfs/dbraw/zinc/26/17/21/1170261721.db2.gz JJIZDEPOZODQRQ-ZNMIVQPWSA-N 2 1 362.434 0.158 20 0 FCADMP Cn1cncc1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000971568622 1170540901 /nfs/dbraw/zinc/54/09/01/1170540901.db2.gz WTOGFKHSXHRPTM-HYVNUMGLSA-N 2 1 359.474 0.506 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221304 1170595601 /nfs/dbraw/zinc/59/56/01/1170595601.db2.gz VELCGKNFUNXEKF-BHYGNILZSA-N 2 1 365.478 0.005 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001022107377 1170663093 /nfs/dbraw/zinc/66/30/93/1170663093.db2.gz WEMPSVJZKLFMQE-LJISPDSOSA-N 2 1 363.510 0.895 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001022107377 1170663095 /nfs/dbraw/zinc/66/30/95/1170663095.db2.gz WEMPSVJZKLFMQE-LJISPDSOSA-N 2 1 363.510 0.895 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001691079205 1170731141 /nfs/dbraw/zinc/73/11/41/1170731141.db2.gz JALTXJRPHQLKGT-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCC2CC2)CC[N@H+]1C ZINC001691079205 1170731144 /nfs/dbraw/zinc/73/11/44/1170731144.db2.gz JALTXJRPHQLKGT-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC2CC2)CC[NH+]1C ZINC001691079205 1170731148 /nfs/dbraw/zinc/73/11/48/1170731148.db2.gz JALTXJRPHQLKGT-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC2CC2)CC[NH+]1C ZINC001691079205 1170731155 /nfs/dbraw/zinc/73/11/55/1170731155.db2.gz JALTXJRPHQLKGT-YESZJQIVSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211525 1170753439 /nfs/dbraw/zinc/75/34/39/1170753439.db2.gz SCQXFXJXDZLLAO-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211525 1170753443 /nfs/dbraw/zinc/75/34/43/1170753443.db2.gz SCQXFXJXDZLLAO-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211525 1170753450 /nfs/dbraw/zinc/75/34/50/1170753450.db2.gz SCQXFXJXDZLLAO-XYJFISCASA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[N@H+]1C1CC1 ZINC000891662501 1170801832 /nfs/dbraw/zinc/80/18/32/1170801832.db2.gz YCNWPNVGMDQGGF-IPQWEPCOSA-N 2 1 363.462 0.188 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1 ZINC001022251050 1170806161 /nfs/dbraw/zinc/80/61/61/1170806161.db2.gz BCKWCSWNYFQJIU-IXDOHACOSA-N 2 1 359.474 0.674 20 0 FCADMP Cn1cncc1CC(=O)NC[C@H]1CC[C@@H](NCc2ncnn2CCF)C1 ZINC001691263648 1170987697 /nfs/dbraw/zinc/98/76/97/1170987697.db2.gz ZVPBARAYAPTRMU-UONOGXRCSA-N 2 1 363.441 0.598 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001087181108 1171035172 /nfs/dbraw/zinc/03/51/72/1171035172.db2.gz ARAYFWVHRFACGY-XYVMCAHJSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001087181108 1171035180 /nfs/dbraw/zinc/03/51/80/1171035180.db2.gz ARAYFWVHRFACGY-XYVMCAHJSA-N 2 1 363.506 0.856 20 0 FCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891902688 1171061606 /nfs/dbraw/zinc/06/16/06/1171061606.db2.gz WDQGARCBKXJLRD-JJXSEGSLSA-N 2 1 367.494 0.683 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891909932 1171066247 /nfs/dbraw/zinc/06/62/47/1171066247.db2.gz OMYAAILHMDVNRZ-QXSJWSMHSA-N 2 1 367.494 0.683 20 0 FCADMP C[C@@]1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060896 1171540395 /nfs/dbraw/zinc/54/03/95/1171540395.db2.gz VNMHOLXDLLZAMS-IEBWSBKVSA-N 2 1 367.538 0.472 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022717963 1171806772 /nfs/dbraw/zinc/80/67/72/1171806772.db2.gz PSHBJUSLAZTMKE-IXDOHACOSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001022717618 1171808132 /nfs/dbraw/zinc/80/81/32/1171808132.db2.gz GIXCPCGGTUCZJT-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001022717618 1171808136 /nfs/dbraw/zinc/80/81/36/1171808136.db2.gz GIXCPCGGTUCZJT-HYVNUMGLSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022724085 1171818274 /nfs/dbraw/zinc/81/82/74/1171818274.db2.gz QTRNWPYGNSNQSB-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022724085 1171818276 /nfs/dbraw/zinc/81/82/76/1171818276.db2.gz QTRNWPYGNSNQSB-HYVNUMGLSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000972253958 1171889539 /nfs/dbraw/zinc/88/95/39/1171889539.db2.gz DVCRIWDYTRXUDX-JFIYKMOQSA-N 2 1 359.474 0.591 20 0 FCADMP O=C(N1CCO[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249426 1172022192 /nfs/dbraw/zinc/02/21/92/1172022192.db2.gz DUYXCYGBVCNRNV-FGTMMUONSA-N 2 1 363.502 0.811 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211557237 1172067294 /nfs/dbraw/zinc/06/72/94/1172067294.db2.gz INDLWBQOTHSFDW-RCCFBDPRSA-N 2 1 358.486 0.801 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000989116987 1192688916 /nfs/dbraw/zinc/68/89/16/1192688916.db2.gz CIIIWRRERYWSIX-COXVUDFISA-N 2 1 371.441 0.384 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547732 1192784639 /nfs/dbraw/zinc/78/46/39/1192784639.db2.gz FPLLRWIYWNBJJB-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547732 1192784640 /nfs/dbraw/zinc/78/46/40/1192784640.db2.gz FPLLRWIYWNBJJB-SJORKVTESA-N 2 1 365.522 0.666 20 0 FCADMP CN(C(=O)CC(O)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000537227323 1192788650 /nfs/dbraw/zinc/78/86/50/1192788650.db2.gz AEPYMXAGQCXCOF-HOTGVXAUSA-N 2 1 368.522 0.233 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001088657983 1192803195 /nfs/dbraw/zinc/80/31/95/1192803195.db2.gz BHWDMSDPGDADIR-VVWQDTPRSA-N 2 1 361.486 0.977 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC001088657983 1192803200 /nfs/dbraw/zinc/80/32/00/1192803200.db2.gz BHWDMSDPGDADIR-VVWQDTPRSA-N 2 1 361.486 0.977 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(CO)cc1 ZINC001088657983 1192803201 /nfs/dbraw/zinc/80/32/01/1192803201.db2.gz BHWDMSDPGDADIR-VVWQDTPRSA-N 2 1 361.486 0.977 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(CO)cc1 ZINC001088657983 1192803202 /nfs/dbraw/zinc/80/32/02/1192803202.db2.gz BHWDMSDPGDADIR-VVWQDTPRSA-N 2 1 361.486 0.977 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000897560372 1192810269 /nfs/dbraw/zinc/81/02/69/1192810269.db2.gz SABNTBVMFSHRHE-CABCVRRESA-N 2 1 357.458 0.472 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC(N)=O)CCC2)O1 ZINC001105544655 1192830613 /nfs/dbraw/zinc/83/06/13/1192830613.db2.gz PPCMGMWZCRICRV-OAGGEKHMSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC(N)=O)CCC2)O1 ZINC001105544655 1192830616 /nfs/dbraw/zinc/83/06/16/1192830616.db2.gz PPCMGMWZCRICRV-OAGGEKHMSA-N 2 1 366.506 0.332 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897632233 1192838069 /nfs/dbraw/zinc/83/80/69/1192838069.db2.gz MKENGGFKYCSVGJ-JKSUJKDBSA-N 2 1 361.490 0.965 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001112516492 1179624399 /nfs/dbraw/zinc/62/43/99/1179624399.db2.gz MRYIHEUKBGJRHI-JPLJXNOCSA-N 2 1 367.534 0.944 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001023444890 1179748273 /nfs/dbraw/zinc/74/82/73/1179748273.db2.gz ZLJGAWBHDUMXSH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001023444890 1179748295 /nfs/dbraw/zinc/74/82/95/1179748295.db2.gz ZLJGAWBHDUMXSH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCCC3=O)C2)O1 ZINC001023444890 1179748315 /nfs/dbraw/zinc/74/83/15/1179748315.db2.gz ZLJGAWBHDUMXSH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)O1 ZINC001023444890 1179748342 /nfs/dbraw/zinc/74/83/42/1179748342.db2.gz ZLJGAWBHDUMXSH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)O1 ZINC001023444890 1179748353 /nfs/dbraw/zinc/74/83/53/1179748353.db2.gz ZLJGAWBHDUMXSH-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCc3ccnn3C)C2)O1 ZINC001023451321 1179750858 /nfs/dbraw/zinc/75/08/58/1179750858.db2.gz NYDXSYIRERVTFV-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](CCc3ccnn3C)C2)O1 ZINC001023451321 1179750866 /nfs/dbraw/zinc/75/08/66/1179750866.db2.gz NYDXSYIRERVTFV-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](CCc3ccnn3C)C2)O1 ZINC001023451321 1179750874 /nfs/dbraw/zinc/75/08/74/1179750874.db2.gz NYDXSYIRERVTFV-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCc3ccnn3C)C2)O1 ZINC001023451321 1179750880 /nfs/dbraw/zinc/75/08/80/1179750880.db2.gz NYDXSYIRERVTFV-JFIYKMOQSA-N 2 1 363.506 0.510 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605400 1179929233 /nfs/dbraw/zinc/92/92/33/1179929233.db2.gz YQIUKMVHXLNVAL-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605400 1179929239 /nfs/dbraw/zinc/92/92/39/1179929239.db2.gz YQIUKMVHXLNVAL-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605400 1179929256 /nfs/dbraw/zinc/92/92/56/1179929256.db2.gz YQIUKMVHXLNVAL-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001023605400 1179929272 /nfs/dbraw/zinc/92/92/72/1179929272.db2.gz YQIUKMVHXLNVAL-NXHRZFHOSA-N 2 1 358.486 0.645 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC000972670723 1180240836 /nfs/dbraw/zinc/24/08/36/1180240836.db2.gz BQYSHAZSUUTTCW-NUJGCVRESA-N 2 1 361.490 0.837 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2nc(C[NH2+]CC3CCC3)cc(=O)[nH]2)O1 ZINC001087258059 1180338767 /nfs/dbraw/zinc/33/87/67/1180338767.db2.gz TWHDRLXTMWUXKL-IUODEOHRSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2nc(C[NH2+]CC3CCC3)cc(=O)[nH]2)O1 ZINC001087258059 1180338781 /nfs/dbraw/zinc/33/87/81/1180338781.db2.gz TWHDRLXTMWUXKL-IUODEOHRSA-N 2 1 363.462 0.407 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001023993974 1180730701 /nfs/dbraw/zinc/73/07/01/1180730701.db2.gz VJBDICFXKCMHJV-QLFBSQMISA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001023993974 1180730713 /nfs/dbraw/zinc/73/07/13/1180730713.db2.gz VJBDICFXKCMHJV-QLFBSQMISA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001023993580 1180731201 /nfs/dbraw/zinc/73/12/01/1180731201.db2.gz JDEIFBQJSIJVPT-BZUAXINKSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001023993975 1180731818 /nfs/dbraw/zinc/73/18/18/1180731818.db2.gz VJBDICFXKCMHJV-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001023993975 1180731825 /nfs/dbraw/zinc/73/18/25/1180731825.db2.gz VJBDICFXKCMHJV-RBSFLKMASA-N 2 1 364.494 0.804 20 0 FCADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892452580 1181041769 /nfs/dbraw/zinc/04/17/69/1181041769.db2.gz QEVNFJNXEAQGJS-LRYGQEGESA-N 2 1 365.522 0.448 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001024447107 1181180195 /nfs/dbraw/zinc/18/01/95/1181180195.db2.gz QUYXOVZSDQSQPZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001024447107 1181180200 /nfs/dbraw/zinc/18/02/00/1181180200.db2.gz QUYXOVZSDQSQPZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001024447107 1181180205 /nfs/dbraw/zinc/18/02/05/1181180205.db2.gz QUYXOVZSDQSQPZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001024447107 1181180211 /nfs/dbraw/zinc/18/02/11/1181180211.db2.gz QUYXOVZSDQSQPZ-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1nccnc1CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506443 1181260875 /nfs/dbraw/zinc/26/08/75/1181260875.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1nccnc1CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506443 1181260881 /nfs/dbraw/zinc/26/08/81/1181260881.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 1 361.490 0.975 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024864110 1181703925 /nfs/dbraw/zinc/70/39/25/1181703925.db2.gz NBWASZIFIVJMFZ-KBRIMQKVSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@@H+]1C ZINC001024967391 1181806912 /nfs/dbraw/zinc/80/69/12/1181806912.db2.gz LUYCMTWKUSELKS-FVQBIDKESA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C2CC2)CC[N@H+]1C ZINC001024967391 1181806918 /nfs/dbraw/zinc/80/69/18/1181806918.db2.gz LUYCMTWKUSELKS-FVQBIDKESA-N 2 1 361.494 0.819 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001024967681 1181811061 /nfs/dbraw/zinc/81/10/61/1181811061.db2.gz CMFOMTOOZWMDEF-QLFBSQMISA-N 2 1 364.494 0.309 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001988 1181847720 /nfs/dbraw/zinc/84/77/20/1181847720.db2.gz WUOAMZIOMVNJSX-ARFHVFGLSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000892558893 1181866882 /nfs/dbraw/zinc/86/68/82/1181866882.db2.gz FCYMZUYZQVUXNA-CALCHBBNSA-N 2 1 365.522 0.700 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000892577319 1181884763 /nfs/dbraw/zinc/88/47/63/1181884763.db2.gz FCYMZUYZQVUXNA-QAQDUYKDSA-N 2 1 365.522 0.700 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1C ZINC000083738097 1181937378 /nfs/dbraw/zinc/93/73/78/1181937378.db2.gz UVIGRLJKKVEKSL-HNNXBMFYSA-N 2 1 363.510 0.408 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1C ZINC000083738097 1181937382 /nfs/dbraw/zinc/93/73/82/1181937382.db2.gz UVIGRLJKKVEKSL-HNNXBMFYSA-N 2 1 363.510 0.408 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000892650823 1182003604 /nfs/dbraw/zinc/00/36/04/1182003604.db2.gz QZBWYAUQXIGXDX-ZACQAIPSSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000892650823 1182003609 /nfs/dbraw/zinc/00/36/09/1182003609.db2.gz QZBWYAUQXIGXDX-ZACQAIPSSA-N 2 1 365.522 0.807 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000892650823 1182003613 /nfs/dbraw/zinc/00/36/13/1182003613.db2.gz QZBWYAUQXIGXDX-ZACQAIPSSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104676289 1182358478 /nfs/dbraw/zinc/35/84/78/1182358478.db2.gz DBQSCJHLMJTSET-IXDOHACOSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104682587 1182366133 /nfs/dbraw/zinc/36/61/33/1182366133.db2.gz WXVDTVYKYPQAHK-ZIAGYGMSSA-N 2 1 369.510 0.233 20 0 FCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000892754295 1182473987 /nfs/dbraw/zinc/47/39/87/1182473987.db2.gz ABQHITKHIYUIER-IAGOWNOFSA-N 2 1 359.474 0.896 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765439 1182485384 /nfs/dbraw/zinc/48/53/84/1182485384.db2.gz CALVRSMGYSFVDK-IAGOWNOFSA-N 2 1 367.538 0.470 20 0 FCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777470 1182497862 /nfs/dbraw/zinc/49/78/62/1182497862.db2.gz JVFMNUCTFSGWEE-QGZVFWFLSA-N 2 1 368.522 0.633 20 0 FCADMP CNc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000549176458 1182527598 /nfs/dbraw/zinc/52/75/98/1182527598.db2.gz NNCBLVZACTWCBY-GJZGRUSLSA-N 3 1 362.526 0.111 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001025684483 1182685365 /nfs/dbraw/zinc/68/53/65/1182685365.db2.gz KCOGISATXPHXGR-KBRIMQKVSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001104794089 1182924413 /nfs/dbraw/zinc/92/44/13/1182924413.db2.gz YQBMERBWJKCOBX-BRWVUGGUSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C)C(N)=O ZINC001104846408 1182953158 /nfs/dbraw/zinc/95/31/58/1182953158.db2.gz VALUYRMYBGNPCS-RBSFLKMASA-N 2 1 370.457 0.829 20 0 FCADMP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104937842 1183009355 /nfs/dbraw/zinc/00/93/55/1183009355.db2.gz JICYPCWSJPSYPL-HZPDHXFCSA-N 2 1 365.526 0.999 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1 ZINC001104937536 1183011082 /nfs/dbraw/zinc/01/10/82/1183011082.db2.gz CYVSVGJVECJRJZ-HUUCEWRRSA-N 2 1 369.510 0.248 20 0 FCADMP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010595 1183067519 /nfs/dbraw/zinc/06/75/19/1183067519.db2.gz RMHWOVXLZHHWFM-BZUAXINKSA-N 2 1 363.510 0.609 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000974273342 1183085699 /nfs/dbraw/zinc/08/56/99/1183085699.db2.gz PWVFEAOFZMUMHD-JJAZEVLHSA-N 2 1 371.441 0.430 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC000974273342 1183085707 /nfs/dbraw/zinc/08/57/07/1183085707.db2.gz PWVFEAOFZMUMHD-JJAZEVLHSA-N 2 1 371.441 0.430 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001105040315 1183088224 /nfs/dbraw/zinc/08/82/24/1183088224.db2.gz GSZSXNIZBPEILV-NXHRZFHOSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001105040315 1183088226 /nfs/dbraw/zinc/08/82/26/1183088226.db2.gz GSZSXNIZBPEILV-NXHRZFHOSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)C1 ZINC001105040863 1183089711 /nfs/dbraw/zinc/08/97/11/1183089711.db2.gz RRXISTUMVPLQCR-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)C1 ZINC001105040863 1183089715 /nfs/dbraw/zinc/08/97/15/1183089715.db2.gz RRXISTUMVPLQCR-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268227 1183167370 /nfs/dbraw/zinc/16/73/70/1183167370.db2.gz FWSVZCWXYCSMTB-WOSRLPQWSA-N 2 1 368.457 0.218 20 0 FCADMP C[C@H](F)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268227 1183167375 /nfs/dbraw/zinc/16/73/75/1183167375.db2.gz FWSVZCWXYCSMTB-WOSRLPQWSA-N 2 1 368.457 0.218 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578243 1183349627 /nfs/dbraw/zinc/34/96/27/1183349627.db2.gz XRSOTTVDHMGNRL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578243 1183349633 /nfs/dbraw/zinc/34/96/33/1183349633.db2.gz XRSOTTVDHMGNRL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578243 1183349639 /nfs/dbraw/zinc/34/96/39/1183349639.db2.gz XRSOTTVDHMGNRL-JFIYKMOQSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@H+]1C ZINC000974597504 1183375339 /nfs/dbraw/zinc/37/53/39/1183375339.db2.gz FMXHENTWTSSAIA-XHSDSOJGSA-N 2 1 365.522 0.569 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974597504 1183375345 /nfs/dbraw/zinc/37/53/45/1183375345.db2.gz FMXHENTWTSSAIA-XHSDSOJGSA-N 2 1 365.522 0.569 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974597504 1183375352 /nfs/dbraw/zinc/37/53/52/1183375352.db2.gz FMXHENTWTSSAIA-XHSDSOJGSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722709 1183499318 /nfs/dbraw/zinc/49/93/18/1183499318.db2.gz GDUJJSUCNPZOOF-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722709 1183499336 /nfs/dbraw/zinc/49/93/36/1183499336.db2.gz GDUJJSUCNPZOOF-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722709 1183499346 /nfs/dbraw/zinc/49/93/46/1183499346.db2.gz GDUJJSUCNPZOOF-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722709 1183499357 /nfs/dbraw/zinc/49/93/57/1183499357.db2.gz GDUJJSUCNPZOOF-DJIMGWMZSA-N 2 1 363.506 0.508 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)[C@@H](c2ccccc2)C1 ZINC000975083780 1183705996 /nfs/dbraw/zinc/70/59/96/1183705996.db2.gz ZVHUUWSAVRDLBQ-IKGGRYGDSA-N 2 1 358.486 0.644 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000975222834 1183765066 /nfs/dbraw/zinc/76/50/66/1183765066.db2.gz LUCSEJMREIQKEV-BRWVUGGUSA-N 2 1 360.502 0.483 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000975720368 1185644582 /nfs/dbraw/zinc/64/45/82/1185644582.db2.gz WVIDITBAVNNMPP-IRXDYDNUSA-N 2 1 359.474 0.737 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765690 1185705485 /nfs/dbraw/zinc/70/54/85/1185705485.db2.gz RLVUBLJRBYMCPI-BQFCYCMXSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765690 1185705493 /nfs/dbraw/zinc/70/54/93/1185705493.db2.gz RLVUBLJRBYMCPI-BQFCYCMXSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765690 1185705499 /nfs/dbraw/zinc/70/54/99/1185705499.db2.gz RLVUBLJRBYMCPI-BQFCYCMXSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760538 1185731589 /nfs/dbraw/zinc/73/15/89/1185731589.db2.gz KMHPGNHRERHXJV-ULQDDVLXSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000975816053 1185809352 /nfs/dbraw/zinc/80/93/52/1185809352.db2.gz KUYCHBSQLFSGSK-SQNIBIBYSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666707 1185934165 /nfs/dbraw/zinc/93/41/65/1185934165.db2.gz JMCCORREJMIINC-DLBZAZTESA-N 2 1 356.474 0.851 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC000976503673 1185963077 /nfs/dbraw/zinc/96/30/77/1185963077.db2.gz AOLMNJKSSNJUSI-ZXLDYLNASA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503673 1185963084 /nfs/dbraw/zinc/96/30/84/1185963084.db2.gz AOLMNJKSSNJUSI-ZXLDYLNASA-N 2 1 362.518 0.772 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503673 1185963092 /nfs/dbraw/zinc/96/30/92/1185963092.db2.gz AOLMNJKSSNJUSI-ZXLDYLNASA-N 2 1 362.518 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC000979034157 1186047929 /nfs/dbraw/zinc/04/79/29/1186047929.db2.gz OLJOAYCCRWREBY-WCXIOVBPSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112529712 1186089456 /nfs/dbraw/zinc/08/94/56/1186089456.db2.gz LRQYNFXSLCWYQP-FTRWYGJKSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112529734 1186090408 /nfs/dbraw/zinc/09/04/08/1186090408.db2.gz MMIMYARMFHMKRQ-FTRWYGJKSA-N 2 1 362.518 0.825 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000979988075 1186157382 /nfs/dbraw/zinc/15/73/82/1186157382.db2.gz RCSHQLHWYLWSAE-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000979988075 1186157384 /nfs/dbraw/zinc/15/73/84/1186157384.db2.gz RCSHQLHWYLWSAE-MUIFIZLQSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001027965422 1186241247 /nfs/dbraw/zinc/24/12/47/1186241247.db2.gz BSUBSWFZVCEYJW-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001027965422 1186241251 /nfs/dbraw/zinc/24/12/51/1186241251.db2.gz BSUBSWFZVCEYJW-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)O1 ZINC001027965422 1186241256 /nfs/dbraw/zinc/24/12/56/1186241256.db2.gz BSUBSWFZVCEYJW-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(CO)cc2)O1 ZINC001027965422 1186241261 /nfs/dbraw/zinc/24/12/61/1186241261.db2.gz BSUBSWFZVCEYJW-ATZDWAIDSA-N 2 1 361.486 0.979 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027965845 1186243200 /nfs/dbraw/zinc/24/32/00/1186243200.db2.gz GMMXHOFYMKGPKY-KBRIMQKVSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027965845 1186243204 /nfs/dbraw/zinc/24/32/04/1186243204.db2.gz GMMXHOFYMKGPKY-KBRIMQKVSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965845 1186243212 /nfs/dbraw/zinc/24/32/12/1186243212.db2.gz GMMXHOFYMKGPKY-KBRIMQKVSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027965845 1186243218 /nfs/dbraw/zinc/24/32/18/1186243218.db2.gz GMMXHOFYMKGPKY-KBRIMQKVSA-N 2 1 364.494 0.195 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440193 1186419579 /nfs/dbraw/zinc/41/95/79/1186419579.db2.gz ROGHJHGVOHGVLP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440193 1186419581 /nfs/dbraw/zinc/41/95/81/1186419581.db2.gz ROGHJHGVOHGVLP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440193 1186419582 /nfs/dbraw/zinc/41/95/82/1186419582.db2.gz ROGHJHGVOHGVLP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)CC2)O1 ZINC000981440193 1186419584 /nfs/dbraw/zinc/41/95/84/1186419584.db2.gz ROGHJHGVOHGVLP-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000981466305 1186420473 /nfs/dbraw/zinc/42/04/73/1186420473.db2.gz DYTGXPMSVLIZSA-YYIAUSFCSA-N 2 1 361.490 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000981466305 1186420480 /nfs/dbraw/zinc/42/04/80/1186420480.db2.gz DYTGXPMSVLIZSA-YYIAUSFCSA-N 2 1 361.490 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)N(C)C2CC2)C3)CC[N@H+]1C ZINC000981776661 1186517808 /nfs/dbraw/zinc/51/78/08/1186517808.db2.gz VBJHDUDUYSBSRI-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N(C)C2CC2)C3)CC[NH+]1C ZINC000981776661 1186517812 /nfs/dbraw/zinc/51/78/12/1186517812.db2.gz VBJHDUDUYSBSRI-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N(C)C2CC2)C3)CC[NH+]1C ZINC000981776661 1186517814 /nfs/dbraw/zinc/51/78/14/1186517814.db2.gz VBJHDUDUYSBSRI-NVXWUHKLSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613930 1186653680 /nfs/dbraw/zinc/65/36/80/1186653680.db2.gz VLWZGUPIFMMMTE-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613930 1186653683 /nfs/dbraw/zinc/65/36/83/1186653683.db2.gz VLWZGUPIFMMMTE-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075613930 1186653686 /nfs/dbraw/zinc/65/36/86/1186653686.db2.gz VLWZGUPIFMMMTE-OKZBNKHCSA-N 2 1 356.470 0.912 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001211713527 1186699324 /nfs/dbraw/zinc/69/93/24/1186699324.db2.gz PBNMGJDYLNSGPE-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001211713527 1186699326 /nfs/dbraw/zinc/69/93/26/1186699326.db2.gz PBNMGJDYLNSGPE-DLBZAZTESA-N 2 1 371.489 0.636 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001211713608 1186699357 /nfs/dbraw/zinc/69/93/57/1186699357.db2.gz RKNMLXFDJFNATG-OKZBNKHCSA-N 2 1 358.486 0.801 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306329 1186727911 /nfs/dbraw/zinc/72/79/11/1186727911.db2.gz POLFZYKOANVUQH-TZNWLIJBSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306329 1186727916 /nfs/dbraw/zinc/72/79/16/1186727916.db2.gz POLFZYKOANVUQH-TZNWLIJBSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306329 1186727920 /nfs/dbraw/zinc/72/79/20/1186727920.db2.gz POLFZYKOANVUQH-TZNWLIJBSA-N 2 1 366.506 0.010 20 0 FCADMP CNC(=O)[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306329 1186727926 /nfs/dbraw/zinc/72/79/26/1186727926.db2.gz POLFZYKOANVUQH-TZNWLIJBSA-N 2 1 366.506 0.010 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723397 1187471567 /nfs/dbraw/zinc/47/15/67/1187471567.db2.gz VFDCUMMEYWFAHQ-ZWKOTPCHSA-N 2 1 369.469 0.912 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001211732532 1187520345 /nfs/dbraw/zinc/52/03/45/1187520345.db2.gz MOQQEEVVTZTASK-RCCFBDPRSA-N 2 1 358.486 0.799 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444067 1187522160 /nfs/dbraw/zinc/52/21/60/1187522160.db2.gz VUGQYLINCLRNDA-QRVBRYPASA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444067 1187522163 /nfs/dbraw/zinc/52/21/63/1187522163.db2.gz VUGQYLINCLRNDA-QRVBRYPASA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444067 1187522172 /nfs/dbraw/zinc/52/21/72/1187522172.db2.gz VUGQYLINCLRNDA-QRVBRYPASA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccccc2)C1 ZINC001087444067 1187522178 /nfs/dbraw/zinc/52/21/78/1187522178.db2.gz VUGQYLINCLRNDA-QRVBRYPASA-N 2 1 361.486 0.674 20 0 FCADMP COc1coc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549363 1187601368 /nfs/dbraw/zinc/60/13/68/1187601368.db2.gz PJWWFLCMMLBDLM-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1=O ZINC001028549363 1187601371 /nfs/dbraw/zinc/60/13/71/1187601371.db2.gz PJWWFLCMMLBDLM-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1=O ZINC001028549363 1187601375 /nfs/dbraw/zinc/60/13/75/1187601375.db2.gz PJWWFLCMMLBDLM-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549363 1187601380 /nfs/dbraw/zinc/60/13/80/1187601380.db2.gz PJWWFLCMMLBDLM-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP COc1coc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001028549363 1187601384 /nfs/dbraw/zinc/60/13/84/1187601384.db2.gz PJWWFLCMMLBDLM-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001028553014 1187604811 /nfs/dbraw/zinc/60/48/11/1187604811.db2.gz YSZJNNHULJYZAP-CWRNSKLLSA-N 2 1 361.494 0.676 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000982827819 1187742006 /nfs/dbraw/zinc/74/20/06/1187742006.db2.gz NWMNRXOHANJAEX-YESZJQIVSA-N 2 1 362.518 0.777 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629316 1187759211 /nfs/dbraw/zinc/75/92/11/1187759211.db2.gz JEHROZYEYOVFHB-SOLBZPMBSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629316 1187759215 /nfs/dbraw/zinc/75/92/15/1187759215.db2.gz JEHROZYEYOVFHB-SOLBZPMBSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629316 1187759220 /nfs/dbraw/zinc/75/92/20/1187759220.db2.gz JEHROZYEYOVFHB-SOLBZPMBSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001028629316 1187759224 /nfs/dbraw/zinc/75/92/24/1187759224.db2.gz JEHROZYEYOVFHB-SOLBZPMBSA-N 2 1 363.506 0.603 20 0 FCADMP CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269991828 1187960713 /nfs/dbraw/zinc/96/07/13/1187960713.db2.gz AILCKHYGDHYBQP-SFHVURJKSA-N 2 1 361.494 0.543 20 0 FCADMP CCn1ccnc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269991828 1187960715 /nfs/dbraw/zinc/96/07/15/1187960715.db2.gz AILCKHYGDHYBQP-SFHVURJKSA-N 2 1 361.494 0.543 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCn2ccnc2)CC1 ZINC001270155611 1188033251 /nfs/dbraw/zinc/03/32/51/1188033251.db2.gz PSJJVQHRPRQTSC-CVEARBPZSA-N 2 1 359.474 0.722 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCCC3)C2)OCC1=O ZINC001270165634 1188037068 /nfs/dbraw/zinc/03/70/68/1188037068.db2.gz KBXUMHBAQWJIRZ-IBGZPJMESA-N 2 1 366.506 0.252 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001270175487 1188040284 /nfs/dbraw/zinc/04/02/84/1188040284.db2.gz HFEDFBWZAJPXSP-UHFFFAOYSA-N 2 1 367.534 0.920 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001270175487 1188040287 /nfs/dbraw/zinc/04/02/87/1188040287.db2.gz HFEDFBWZAJPXSP-UHFFFAOYSA-N 2 1 367.534 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000983714387 1188281491 /nfs/dbraw/zinc/28/14/91/1188281491.db2.gz RRBAVPFZDZCYPW-ZQDZILKHSA-N 2 1 364.494 0.850 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000983714387 1188281498 /nfs/dbraw/zinc/28/14/98/1188281498.db2.gz RRBAVPFZDZCYPW-ZQDZILKHSA-N 2 1 364.494 0.850 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000550372888 1188343151 /nfs/dbraw/zinc/34/31/51/1188343151.db2.gz WXHVECQTATWBLO-MRXNPFEDSA-N 2 1 362.474 0.625 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000550378352 1188343598 /nfs/dbraw/zinc/34/35/98/1188343598.db2.gz PCWMQXLMJSPZEE-MRXNPFEDSA-N 2 1 366.506 0.158 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528997 1189383698 /nfs/dbraw/zinc/38/36/98/1189383698.db2.gz LICMCQWMVFLFKN-GVDBMIGSSA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528997 1189383705 /nfs/dbraw/zinc/38/37/05/1189383705.db2.gz LICMCQWMVFLFKN-GVDBMIGSSA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001087528997 1189383711 /nfs/dbraw/zinc/38/37/11/1189383711.db2.gz LICMCQWMVFLFKN-GVDBMIGSSA-N 2 1 362.474 0.185 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccn(C)c(=O)c1 ZINC001087528997 1189383724 /nfs/dbraw/zinc/38/37/24/1189383724.db2.gz LICMCQWMVFLFKN-GVDBMIGSSA-N 2 1 362.474 0.185 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000550457072 1189497612 /nfs/dbraw/zinc/49/76/12/1189497612.db2.gz IQCFSEPEECPTHF-BBWFWOEESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000550457072 1189497624 /nfs/dbraw/zinc/49/76/24/1189497624.db2.gz IQCFSEPEECPTHF-BBWFWOEESA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000550457072 1189497636 /nfs/dbraw/zinc/49/76/36/1189497636.db2.gz IQCFSEPEECPTHF-BBWFWOEESA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC001075810442 1189505361 /nfs/dbraw/zinc/50/53/61/1189505361.db2.gz DNYXYELDEQLBPB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)CC[N@H+]1C ZINC001075810442 1189505385 /nfs/dbraw/zinc/50/53/85/1189505385.db2.gz DNYXYELDEQLBPB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC001075810442 1189505397 /nfs/dbraw/zinc/50/53/97/1189505397.db2.gz DNYXYELDEQLBPB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC[NH+]1C ZINC001075810442 1189505411 /nfs/dbraw/zinc/50/54/11/1189505411.db2.gz DNYXYELDEQLBPB-XMTFNYHQSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000550474646 1189621350 /nfs/dbraw/zinc/62/13/50/1189621350.db2.gz UGOMUKMPRAJBRP-MRXNPFEDSA-N 2 1 374.485 0.596 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CC(=O)NC ZINC001087601190 1189649656 /nfs/dbraw/zinc/64/96/56/1189649656.db2.gz FDNAIHLEUCVUEB-GVDBMIGSSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(=O)NC ZINC001087601190 1189649659 /nfs/dbraw/zinc/64/96/59/1189649659.db2.gz FDNAIHLEUCVUEB-GVDBMIGSSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(=O)NC ZINC001087601190 1189649667 /nfs/dbraw/zinc/64/96/67/1189649667.db2.gz FDNAIHLEUCVUEB-GVDBMIGSSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(=O)NC ZINC001087601190 1189649677 /nfs/dbraw/zinc/64/96/77/1189649677.db2.gz FDNAIHLEUCVUEB-GVDBMIGSSA-N 2 1 366.506 0.345 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087725137 1189803412 /nfs/dbraw/zinc/80/34/12/1189803412.db2.gz DNLJEMFIJMHZKN-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087725137 1189803413 /nfs/dbraw/zinc/80/34/13/1189803413.db2.gz DNLJEMFIJMHZKN-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087725137 1189803414 /nfs/dbraw/zinc/80/34/14/1189803414.db2.gz DNLJEMFIJMHZKN-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087725137 1189803416 /nfs/dbraw/zinc/80/34/16/1189803416.db2.gz DNLJEMFIJMHZKN-YESZJQIVSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)C[C@H]1CCN(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840002505 1189807165 /nfs/dbraw/zinc/80/71/65/1189807165.db2.gz DLVNYGJDXYBYEO-QRVBRYPASA-N 2 1 370.497 0.944 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087797701 1189827916 /nfs/dbraw/zinc/82/79/16/1189827916.db2.gz DZCQUAVDVIFDQW-IXDOHACOSA-N 2 1 361.490 0.309 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC001691765678 1189862258 /nfs/dbraw/zinc/86/22/58/1189862258.db2.gz ULLKXHQFEMREPV-CABCVRRESA-N 2 1 362.540 0.187 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC001691765678 1189862260 /nfs/dbraw/zinc/86/22/60/1189862260.db2.gz ULLKXHQFEMREPV-CABCVRRESA-N 2 1 362.540 0.187 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607391 1189867947 /nfs/dbraw/zinc/86/79/47/1189867947.db2.gz YCXNTVPDYLNXSZ-SFFUCWETSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607391 1189867950 /nfs/dbraw/zinc/86/79/50/1189867950.db2.gz YCXNTVPDYLNXSZ-SFFUCWETSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607391 1189867953 /nfs/dbraw/zinc/86/79/53/1189867953.db2.gz YCXNTVPDYLNXSZ-SFFUCWETSA-N 2 1 368.522 0.725 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607391 1189867955 /nfs/dbraw/zinc/86/79/55/1189867955.db2.gz YCXNTVPDYLNXSZ-SFFUCWETSA-N 2 1 368.522 0.725 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909100 1189895396 /nfs/dbraw/zinc/89/53/96/1189895396.db2.gz YOXBATBNRBOZJJ-IKGGRYGDSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087909100 1189895402 /nfs/dbraw/zinc/89/54/02/1189895402.db2.gz YOXBATBNRBOZJJ-IKGGRYGDSA-N 2 1 360.506 0.981 20 0 FCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087909100 1189895403 /nfs/dbraw/zinc/89/54/03/1189895403.db2.gz YOXBATBNRBOZJJ-IKGGRYGDSA-N 2 1 360.506 0.981 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]2C1 ZINC001087964301 1190010583 /nfs/dbraw/zinc/01/05/83/1190010583.db2.gz GAWRSLXPPZLXBV-IXDOHACOSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087969825 1190025813 /nfs/dbraw/zinc/02/58/13/1190025813.db2.gz QMJFHGWKSAWAKJ-ZJPYXAASSA-N 2 1 358.486 0.927 20 0 FCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896467435 1190062598 /nfs/dbraw/zinc/06/25/98/1190062598.db2.gz DGOIWCWVXOQYBR-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896467435 1190062603 /nfs/dbraw/zinc/06/26/03/1190062603.db2.gz DGOIWCWVXOQYBR-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896467435 1190062607 /nfs/dbraw/zinc/06/26/07/1190062607.db2.gz DGOIWCWVXOQYBR-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896748648 1190121345 /nfs/dbraw/zinc/12/13/45/1190121345.db2.gz KPDQJDYWUZNGGC-BZSNNMDCSA-N 2 1 366.506 0.480 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000896748648 1190121348 /nfs/dbraw/zinc/12/13/48/1190121348.db2.gz KPDQJDYWUZNGGC-BZSNNMDCSA-N 2 1 366.506 0.480 20 0 FCADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001087992381 1190142440 /nfs/dbraw/zinc/14/24/40/1190142440.db2.gz RMKGBWZXRIJGIQ-AOIWGVFYSA-N 2 1 365.518 0.793 20 0 FCADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001087992381 1190142444 /nfs/dbraw/zinc/14/24/44/1190142444.db2.gz RMKGBWZXRIJGIQ-AOIWGVFYSA-N 2 1 365.518 0.793 20 0 FCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001087992381 1190142448 /nfs/dbraw/zinc/14/24/48/1190142448.db2.gz RMKGBWZXRIJGIQ-AOIWGVFYSA-N 2 1 365.518 0.793 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)C1=O ZINC001087992640 1190144227 /nfs/dbraw/zinc/14/42/27/1190144227.db2.gz DLOXDHZGZLAZIY-IKGGRYGDSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999521 1190169385 /nfs/dbraw/zinc/16/93/85/1190169385.db2.gz PMKRQWUIQPCFDP-IXDOHACOSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999521 1190169391 /nfs/dbraw/zinc/16/93/91/1190169391.db2.gz PMKRQWUIQPCFDP-IXDOHACOSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999521 1190169397 /nfs/dbraw/zinc/16/93/97/1190169397.db2.gz PMKRQWUIQPCFDP-IXDOHACOSA-N 2 1 360.506 0.970 20 0 FCADMP Cn1nncc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999521 1190169401 /nfs/dbraw/zinc/16/94/01/1190169401.db2.gz PMKRQWUIQPCFDP-IXDOHACOSA-N 2 1 360.506 0.970 20 0 FCADMP O=C(N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)C12CCC[NH+](CCC1)C2 ZINC001088010132 1190208455 /nfs/dbraw/zinc/20/84/55/1190208455.db2.gz KHBQZEQNVXSERE-IKGGRYGDSA-N 2 1 360.502 0.531 20 0 FCADMP Cc1c(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088019931 1190237146 /nfs/dbraw/zinc/23/71/46/1190237146.db2.gz MXZSSJTWOBNBFR-ZNMIVQPWSA-N 2 1 355.442 0.910 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026130 1190260911 /nfs/dbraw/zinc/26/09/11/1190260911.db2.gz UCYLMUPTISQHAB-ZACQAIPSSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088042887 1190300889 /nfs/dbraw/zinc/30/08/89/1190300889.db2.gz NCYDEAPVWUAQHQ-OAGGEKHMSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088042887 1190300897 /nfs/dbraw/zinc/30/08/97/1190300897.db2.gz NCYDEAPVWUAQHQ-OAGGEKHMSA-N 2 1 359.474 0.639 20 0 FCADMP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090432 1190538478 /nfs/dbraw/zinc/53/84/78/1190538478.db2.gz OONCYOHZCUIKPC-SJORKVTESA-N 2 1 360.506 0.920 20 0 FCADMP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090432 1190538488 /nfs/dbraw/zinc/53/84/88/1190538488.db2.gz OONCYOHZCUIKPC-SJORKVTESA-N 2 1 360.506 0.920 20 0 FCADMP C[C@H](c1nncn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090720 1190544150 /nfs/dbraw/zinc/54/41/50/1190544150.db2.gz CNEUAAJEPULMCT-OIISXLGYSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090720 1190544159 /nfs/dbraw/zinc/54/41/59/1190544159.db2.gz CNEUAAJEPULMCT-OIISXLGYSA-N 2 1 360.506 0.998 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)CC[C@@H]3C2)CC1 ZINC001088130363 1190631883 /nfs/dbraw/zinc/63/18/83/1190631883.db2.gz KTDQIVHTFDWNGZ-SJORKVTESA-N 2 1 362.518 0.777 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)nn1 ZINC001088130628 1190633043 /nfs/dbraw/zinc/63/30/43/1190633043.db2.gz XWBCEZVDGQMDAS-SJORKVTESA-N 2 1 360.506 0.827 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)nn1 ZINC001088130628 1190633051 /nfs/dbraw/zinc/63/30/51/1190633051.db2.gz XWBCEZVDGQMDAS-SJORKVTESA-N 2 1 360.506 0.827 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cn1c[nH+]cc1C ZINC000985164645 1190661890 /nfs/dbraw/zinc/66/18/90/1190661890.db2.gz RDBCNFVBRGJIDM-JKSUJKDBSA-N 2 1 359.474 0.783 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCn3cccn3)C2)O1 ZINC001088335119 1190750701 /nfs/dbraw/zinc/75/07/01/1190750701.db2.gz WHCYRZMKVUPRSC-FGTMMUONSA-N 2 1 363.506 0.963 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCn3cccn3)C2)O1 ZINC001088335119 1190750706 /nfs/dbraw/zinc/75/07/06/1190750706.db2.gz WHCYRZMKVUPRSC-FGTMMUONSA-N 2 1 363.506 0.963 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)C1CCC1 ZINC000986130715 1190901015 /nfs/dbraw/zinc/90/10/15/1190901015.db2.gz KQRSPNOGXLQLRE-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986196522 1190919125 /nfs/dbraw/zinc/91/91/25/1190919125.db2.gz TZJNLRQHWJIHCR-ZJPYXAASSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986196522 1190919131 /nfs/dbraw/zinc/91/91/31/1190919131.db2.gz TZJNLRQHWJIHCR-ZJPYXAASSA-N 2 1 373.501 0.839 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986403328 1190974427 /nfs/dbraw/zinc/97/44/27/1190974427.db2.gz NFNKUQGIQFNFEG-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986403328 1190974430 /nfs/dbraw/zinc/97/44/30/1190974430.db2.gz NFNKUQGIQFNFEG-IXDOHACOSA-N 2 1 359.474 0.593 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075883139 1191064549 /nfs/dbraw/zinc/06/45/49/1191064549.db2.gz VFMTXJLXSDVCHG-ARFHVFGLSA-N 2 1 355.446 0.585 20 0 FCADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075883139 1191064552 /nfs/dbraw/zinc/06/45/52/1191064552.db2.gz VFMTXJLXSDVCHG-ARFHVFGLSA-N 2 1 355.446 0.585 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)O1 ZINC001059857725 1191151788 /nfs/dbraw/zinc/15/17/88/1191151788.db2.gz HLZPEGHBAYCDRA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)O1 ZINC001059857725 1191151789 /nfs/dbraw/zinc/15/17/89/1191151789.db2.gz HLZPEGHBAYCDRA-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)C1 ZINC000988363960 1191194062 /nfs/dbraw/zinc/19/40/62/1191194062.db2.gz OGPZIXVKTNVBLZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)C1 ZINC000988363960 1191194063 /nfs/dbraw/zinc/19/40/63/1191194063.db2.gz OGPZIXVKTNVBLZ-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP COC(C)(C)CN1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001276764858 1224134257 /nfs/dbraw/zinc/13/42/57/1224134257.db2.gz YCORQGZWOYVLEJ-IBGZPJMESA-N 2 1 366.506 0.110 20 0 FCADMP CCN(C)C(=O)CN1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001218128742 1224141598 /nfs/dbraw/zinc/14/15/98/1224141598.db2.gz AECDGGOYYDALHD-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218208222 1224147243 /nfs/dbraw/zinc/14/72/43/1224147243.db2.gz VGXNKYANQQSQMS-ZWKOTPCHSA-N 2 1 362.474 0.856 20 0 FCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653328 1193724928 /nfs/dbraw/zinc/72/49/28/1193724928.db2.gz ALDSDDKPCOSXKJ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653328 1193724932 /nfs/dbraw/zinc/72/49/32/1193724932.db2.gz ALDSDDKPCOSXKJ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653328 1193724938 /nfs/dbraw/zinc/72/49/38/1193724938.db2.gz ALDSDDKPCOSXKJ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653328 1193724941 /nfs/dbraw/zinc/72/49/41/1193724941.db2.gz ALDSDDKPCOSXKJ-HOTGVXAUSA-N 2 1 368.522 0.138 20 0 FCADMP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584196 1193740387 /nfs/dbraw/zinc/74/03/87/1193740387.db2.gz AIOHNWDRCCDDCJ-CVEARBPZSA-N 2 1 357.520 0.297 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3CCC([NH+](C)C)CC3)CC[C@@H]2C1 ZINC001168322869 1193757538 /nfs/dbraw/zinc/75/75/38/1193757538.db2.gz ZAAMKGVKTNCWQH-LWSMDNFKSA-N 3 1 366.550 0.970 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)CC[C@@H]2C1 ZINC001168322869 1193757540 /nfs/dbraw/zinc/75/75/40/1193757540.db2.gz ZAAMKGVKTNCWQH-LWSMDNFKSA-N 3 1 366.550 0.970 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C3CCC([NH+](C)C)CC3)CC[C@@H]2C1 ZINC001168322869 1193757544 /nfs/dbraw/zinc/75/75/44/1193757544.db2.gz ZAAMKGVKTNCWQH-LWSMDNFKSA-N 3 1 366.550 0.970 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)CC[C@@H]2C1 ZINC001168322869 1193757549 /nfs/dbraw/zinc/75/75/49/1193757549.db2.gz ZAAMKGVKTNCWQH-LWSMDNFKSA-N 2 1 366.550 0.970 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](C3CCC([NH+](C)C)CC3)CC[C@@H]2C1 ZINC001168322869 1193757550 /nfs/dbraw/zinc/75/75/50/1193757550.db2.gz ZAAMKGVKTNCWQH-LWSMDNFKSA-N 2 1 366.550 0.970 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001691620555 1193807765 /nfs/dbraw/zinc/80/77/65/1193807765.db2.gz HSDPQFJKKJIVQQ-YHUYYLMFSA-N 2 1 359.536 0.636 20 0 FCADMP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105641551 1193844976 /nfs/dbraw/zinc/84/49/76/1193844976.db2.gz CLLHNLJEAWIPAT-FPAYPSAMSA-N 2 1 364.490 0.804 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218558148 1224173069 /nfs/dbraw/zinc/17/30/69/1224173069.db2.gz VNRUXFAKNISDTK-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001083469611 1193865639 /nfs/dbraw/zinc/86/56/39/1193865639.db2.gz AFHIAXRKAXSXLJ-YRXWBPOGSA-N 2 1 365.518 0.695 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152605772 1193889722 /nfs/dbraw/zinc/88/97/22/1193889722.db2.gz SAKONUVUMJZTQH-AEFFLSMTSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152605772 1193889724 /nfs/dbraw/zinc/88/97/24/1193889724.db2.gz SAKONUVUMJZTQH-AEFFLSMTSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472557 1193903774 /nfs/dbraw/zinc/90/37/74/1193903774.db2.gz DMTOCBRAAOPXDJ-AXUOBQJMSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472557 1193903779 /nfs/dbraw/zinc/90/37/79/1193903779.db2.gz DMTOCBRAAOPXDJ-AXUOBQJMSA-N 2 1 360.502 0.754 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472557 1193903784 /nfs/dbraw/zinc/90/37/84/1193903784.db2.gz DMTOCBRAAOPXDJ-AXUOBQJMSA-N 2 1 360.502 0.754 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC001218579566 1224177026 /nfs/dbraw/zinc/17/70/26/1224177026.db2.gz FRAOLNDUIFKOFK-NVXWUHKLSA-N 2 1 373.505 0.241 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000552364832 1193926325 /nfs/dbraw/zinc/92/63/25/1193926325.db2.gz FBCIOUCAHKUIMB-KRWDZBQOSA-N 3 1 369.554 0.175 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667274 1193929089 /nfs/dbraw/zinc/92/90/89/1193929089.db2.gz AFEMMLHNZIMQMK-RWQQGDIJSA-N 2 1 364.490 0.540 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667272 1193929302 /nfs/dbraw/zinc/92/93/02/1193929302.db2.gz AFEMMLHNZIMQMK-FPAYPSAMSA-N 2 1 364.490 0.540 20 0 FCADMP COc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000553152683 1193976084 /nfs/dbraw/zinc/97/60/84/1193976084.db2.gz CWYBTORSCPVJJA-GJZGRUSLSA-N 2 1 363.510 0.231 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088792295 1194004778 /nfs/dbraw/zinc/00/47/78/1194004778.db2.gz FPOHVCNFHXOZAM-CABCVRRESA-N 2 1 364.490 0.589 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088792295 1194004784 /nfs/dbraw/zinc/00/47/84/1194004784.db2.gz FPOHVCNFHXOZAM-CABCVRRESA-N 2 1 364.490 0.589 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000553735200 1194018722 /nfs/dbraw/zinc/01/87/22/1194018722.db2.gz QSQULYPCYSZQKP-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000553735200 1194018724 /nfs/dbraw/zinc/01/87/24/1194018724.db2.gz QSQULYPCYSZQKP-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000553735200 1194018728 /nfs/dbraw/zinc/01/87/28/1194018728.db2.gz QSQULYPCYSZQKP-KRWDZBQOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188413 1194084882 /nfs/dbraw/zinc/08/48/82/1194084882.db2.gz FOLQBLSYJJKGOX-OXQOHEQNSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@]1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842187765 1194086343 /nfs/dbraw/zinc/08/63/43/1194086343.db2.gz ADGVSRCQXZJALO-YLJYHZDGSA-N 2 1 374.485 0.201 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842229316 1194108939 /nfs/dbraw/zinc/10/89/39/1194108939.db2.gz FKXPOVUHZPLQBC-MSOLQXFVSA-N 2 1 358.486 0.889 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815572 1194111298 /nfs/dbraw/zinc/11/12/98/1194111298.db2.gz VXJLWNKRJRYTLL-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815572 1194111301 /nfs/dbraw/zinc/11/13/01/1194111301.db2.gz VXJLWNKRJRYTLL-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815572 1194111305 /nfs/dbraw/zinc/11/13/05/1194111305.db2.gz VXJLWNKRJRYTLL-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2C)C1 ZINC001088815572 1194111310 /nfs/dbraw/zinc/11/13/10/1194111310.db2.gz VXJLWNKRJRYTLL-BPQIPLTHSA-N 2 1 363.506 0.651 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(Cc3noc4c3COCC4)C[C@H]21 ZINC001076049572 1194267011 /nfs/dbraw/zinc/26/70/11/1194267011.db2.gz HIPKAPZOTBBBLO-WMLDXEAASA-N 2 1 371.441 0.985 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076047025 1194273011 /nfs/dbraw/zinc/27/30/11/1194273011.db2.gz YNJCFWIUIAGABA-VBNZEHGJSA-N 2 1 367.409 0.286 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070742 1194293009 /nfs/dbraw/zinc/29/30/09/1194293009.db2.gz ZMANKBWUVYCOMD-KTHLUNLYSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070742 1194293014 /nfs/dbraw/zinc/29/30/14/1194293014.db2.gz ZMANKBWUVYCOMD-KTHLUNLYSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070742 1194293017 /nfs/dbraw/zinc/29/30/17/1194293017.db2.gz ZMANKBWUVYCOMD-KTHLUNLYSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+]5CC6CC5(C6)CO4)[C@@H]3C2)cn1 ZINC001076070742 1194293021 /nfs/dbraw/zinc/29/30/21/1194293021.db2.gz ZMANKBWUVYCOMD-KTHLUNLYSA-N 2 1 371.485 0.316 20 0 FCADMP Cn1ccnc1CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076081591 1194301604 /nfs/dbraw/zinc/30/16/04/1194301604.db2.gz ZEJBYXKOZJHUHX-JKSUJKDBSA-N 2 1 359.474 0.508 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691627270 1194325225 /nfs/dbraw/zinc/32/52/25/1194325225.db2.gz ZQFYPQZCAUMTAG-PMUMKWKESA-N 2 1 356.486 0.819 20 0 FCADMP COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794308 1224208392 /nfs/dbraw/zinc/20/83/92/1224208392.db2.gz HAEGRXKUGDBFTG-ZJIFWQFVSA-N 2 1 369.506 0.610 20 0 FCADMP COC(=O)[C@@H](C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794308 1224208402 /nfs/dbraw/zinc/20/84/02/1224208402.db2.gz HAEGRXKUGDBFTG-ZJIFWQFVSA-N 2 1 369.506 0.610 20 0 FCADMP COC(CNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)OC ZINC001276794429 1224209920 /nfs/dbraw/zinc/20/99/20/1224209920.db2.gz JPIYHIXYWLFSOK-CABCVRRESA-N 2 1 371.522 0.573 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001076203879 1194352796 /nfs/dbraw/zinc/35/27/96/1194352796.db2.gz HRTCWRJOHRNOTR-RCCFBDPRSA-N 2 1 361.490 0.119 20 0 FCADMP CC(C)OC(=O)CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794859 1224214706 /nfs/dbraw/zinc/21/47/06/1224214706.db2.gz SVLCSRVYLAMIHE-BEFAXECRSA-N 2 1 369.506 0.611 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)CCN4CCOCC4)[C@@H]3C2)cn1 ZINC001076361881 1194418367 /nfs/dbraw/zinc/41/83/67/1194418367.db2.gz QFTIGAMCJLCOJW-ZWKOTPCHSA-N 2 1 361.490 0.218 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001076361881 1194418374 /nfs/dbraw/zinc/41/83/74/1194418374.db2.gz QFTIGAMCJLCOJW-ZWKOTPCHSA-N 2 1 361.490 0.218 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076418981 1194467352 /nfs/dbraw/zinc/46/73/52/1194467352.db2.gz ZLHKFJZFHXYDSG-OKZBNKHCSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789115 1224221347 /nfs/dbraw/zinc/22/13/47/1224221347.db2.gz AGFDAOWXRZXFIX-ZWKOTPCHSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789115 1224221364 /nfs/dbraw/zinc/22/13/64/1224221364.db2.gz AGFDAOWXRZXFIX-ZWKOTPCHSA-N 2 1 369.506 0.435 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462366 1194507824 /nfs/dbraw/zinc/50/78/24/1194507824.db2.gz RSAVGPAAHLTQDE-OKZBNKHCSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462366 1194507833 /nfs/dbraw/zinc/50/78/33/1194507833.db2.gz RSAVGPAAHLTQDE-OKZBNKHCSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462366 1194507842 /nfs/dbraw/zinc/50/78/42/1194507842.db2.gz RSAVGPAAHLTQDE-OKZBNKHCSA-N 2 1 360.506 0.769 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504678 1194528983 /nfs/dbraw/zinc/52/89/83/1194528983.db2.gz LWTKUHDBHUGGBM-BHYGNILZSA-N 2 1 359.474 0.803 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001076576253 1194582928 /nfs/dbraw/zinc/58/29/28/1194582928.db2.gz CJWHAAYFSJDOCS-NZSAHSFTSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001076576253 1194582934 /nfs/dbraw/zinc/58/29/34/1194582934.db2.gz CJWHAAYFSJDOCS-NZSAHSFTSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218819800 1224232038 /nfs/dbraw/zinc/23/20/38/1224232038.db2.gz OZSKWEJYCRWJDR-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218819800 1224232040 /nfs/dbraw/zinc/23/20/40/1224232040.db2.gz OZSKWEJYCRWJDR-HRCADAONSA-N 2 1 362.478 0.019 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]21 ZINC001218820116 1224232940 /nfs/dbraw/zinc/23/29/40/1224232940.db2.gz YCEZNRGUYVHSOP-OKZBNKHCSA-N 2 1 371.522 0.273 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]21 ZINC001218820116 1224232952 /nfs/dbraw/zinc/23/29/52/1224232952.db2.gz YCEZNRGUYVHSOP-OKZBNKHCSA-N 2 1 371.522 0.273 20 0 FCADMP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001218838996 1224237543 /nfs/dbraw/zinc/23/75/43/1224237543.db2.gz RJBQRWWAGHQENU-ZWKOTPCHSA-N 2 1 371.441 0.829 20 0 FCADMP COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001218838996 1224237563 /nfs/dbraw/zinc/23/75/63/1224237563.db2.gz RJBQRWWAGHQENU-ZWKOTPCHSA-N 2 1 371.441 0.829 20 0 FCADMP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cn1 ZINC001076999171 1195125681 /nfs/dbraw/zinc/12/56/81/1195125681.db2.gz GXUHDXYDXGJURZ-IAGOWNOFSA-N 2 1 363.506 0.388 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cn1 ZINC001076999171 1195125684 /nfs/dbraw/zinc/12/56/84/1195125684.db2.gz GXUHDXYDXGJURZ-IAGOWNOFSA-N 2 1 363.506 0.388 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077024836 1195156130 /nfs/dbraw/zinc/15/61/30/1195156130.db2.gz SBBMQIUANBXBOE-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077024836 1195156136 /nfs/dbraw/zinc/15/61/36/1195156136.db2.gz SBBMQIUANBXBOE-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)CC[NH+]1C ZINC001077024836 1195156145 /nfs/dbraw/zinc/15/61/45/1195156145.db2.gz SBBMQIUANBXBOE-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)CC[NH+]1C ZINC001077024836 1195156154 /nfs/dbraw/zinc/15/61/54/1195156154.db2.gz SBBMQIUANBXBOE-BNEJOLLZSA-N 2 1 365.449 0.706 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023817 1195160198 /nfs/dbraw/zinc/16/01/98/1195160198.db2.gz UNQABSNQPMMISJ-MCPWVCTESA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)CC[N@H+]1C ZINC001077023817 1195160202 /nfs/dbraw/zinc/16/02/02/1195160202.db2.gz UNQABSNQPMMISJ-MCPWVCTESA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC[NH+]1C ZINC001077023817 1195160207 /nfs/dbraw/zinc/16/02/07/1195160207.db2.gz UNQABSNQPMMISJ-MCPWVCTESA-N 2 1 359.430 0.224 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)CC[NH+]1C ZINC001077023817 1195160210 /nfs/dbraw/zinc/16/02/10/1195160210.db2.gz UNQABSNQPMMISJ-MCPWVCTESA-N 2 1 359.430 0.224 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563446 1195223001 /nfs/dbraw/zinc/22/30/01/1195223001.db2.gz QDDAQLXBMWSHJI-KSZLIROESA-N 2 1 365.518 0.983 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127873 1195242858 /nfs/dbraw/zinc/24/28/58/1195242858.db2.gz NBPNOEBZYRCDBO-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127873 1195242863 /nfs/dbraw/zinc/24/28/63/1195242863.db2.gz NBPNOEBZYRCDBO-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127873 1195242868 /nfs/dbraw/zinc/24/28/68/1195242868.db2.gz NBPNOEBZYRCDBO-IPMKNSEASA-N 2 1 367.534 0.942 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CCC[NH+]1CCCC1 ZINC001077147815 1195269566 /nfs/dbraw/zinc/26/95/66/1195269566.db2.gz IWNTYJVQBFLPRZ-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CCC[NH+]1CCCC1 ZINC001077147815 1195269570 /nfs/dbraw/zinc/26/95/70/1195269570.db2.gz IWNTYJVQBFLPRZ-GVDBMIGSSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)O1 ZINC001083566615 1195300221 /nfs/dbraw/zinc/30/02/21/1195300221.db2.gz TVVBCBQCWAOAAU-NRSFXHEJSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCOCC3)C[C@@H]2O)O1 ZINC001083566615 1195300226 /nfs/dbraw/zinc/30/02/26/1195300226.db2.gz TVVBCBQCWAOAAU-NRSFXHEJSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)O1 ZINC001083566615 1195300231 /nfs/dbraw/zinc/30/02/31/1195300231.db2.gz TVVBCBQCWAOAAU-NRSFXHEJSA-N 2 1 369.506 0.074 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@@H]2O)O1 ZINC001083566615 1195300236 /nfs/dbraw/zinc/30/02/36/1195300236.db2.gz TVVBCBQCWAOAAU-NRSFXHEJSA-N 2 1 369.506 0.074 20 0 FCADMP Cc1ccncc1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970935 1224275511 /nfs/dbraw/zinc/27/55/11/1224275511.db2.gz OXYLREJRYSQPCS-ZWKOTPCHSA-N 2 1 362.474 0.380 20 0 FCADMP Cc1ccncc1C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970935 1224275518 /nfs/dbraw/zinc/27/55/18/1224275518.db2.gz OXYLREJRYSQPCS-ZWKOTPCHSA-N 2 1 362.474 0.380 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CC[C@@H]2[NH3+])cc1 ZINC001218988091 1224280366 /nfs/dbraw/zinc/28/03/66/1224280366.db2.gz CAKXFIVBLPFMFB-IRXDYDNUSA-N 2 1 359.474 0.573 20 0 FCADMP CN1CCC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219001375 1224282602 /nfs/dbraw/zinc/28/26/02/1224282602.db2.gz ZESXWBJDZBVXNN-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 ZINC001219004373 1224284295 /nfs/dbraw/zinc/28/42/95/1224284295.db2.gz HPWFNVFSXDOVBL-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580020 1195528753 /nfs/dbraw/zinc/52/87/53/1195528753.db2.gz MRNFZWICXJMNRS-QRQLOZEOSA-N 2 1 370.453 0.299 20 0 FCADMP O=C(N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580020 1195528757 /nfs/dbraw/zinc/52/87/57/1195528757.db2.gz MRNFZWICXJMNRS-QRQLOZEOSA-N 2 1 370.453 0.299 20 0 FCADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905368586 1195584041 /nfs/dbraw/zinc/58/40/41/1195584041.db2.gz UCBILWBGEQIYNO-SLFFLAALSA-N 2 1 364.486 0.635 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607123 1195682687 /nfs/dbraw/zinc/68/26/87/1195682687.db2.gz HFYJTKHORDODOK-VFBMKALASA-N 2 1 358.442 0.924 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1)C1CCC1 ZINC001083607107 1195683132 /nfs/dbraw/zinc/68/31/32/1195683132.db2.gz GFKYZAUOIFMJKW-FGTMMUONSA-N 2 1 358.442 0.924 20 0 FCADMP C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)OC2(CC[NH2+]CC2)C1 ZINC001219028243 1224299985 /nfs/dbraw/zinc/29/99/85/1224299985.db2.gz WKVLLEXUZVBUGI-QGZVFWFLSA-N 3 1 360.458 0.560 20 0 FCADMP CN1C[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)OC2(CC[NH2+]CC2)C1 ZINC001219028243 1224299987 /nfs/dbraw/zinc/29/99/87/1224299987.db2.gz WKVLLEXUZVBUGI-QGZVFWFLSA-N 2 1 360.458 0.560 20 0 FCADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)(N2CCOCC2)CC1 ZINC000910406483 1195814019 /nfs/dbraw/zinc/81/40/19/1195814019.db2.gz SNBXCNPROAQHMN-ZWKOTPCHSA-N 2 1 364.534 0.916 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+](C)C1 ZINC000910412759 1195814499 /nfs/dbraw/zinc/81/44/99/1195814499.db2.gz CKQYVMRNLVFQQQ-QGZVFWFLSA-N 2 1 368.522 0.356 20 0 FCADMP COC(=O)[C@@H]1CN(C)CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000910412759 1195814500 /nfs/dbraw/zinc/81/45/00/1195814500.db2.gz CKQYVMRNLVFQQQ-QGZVFWFLSA-N 2 1 368.522 0.356 20 0 FCADMP CN1CC[N@@H+](C)CC(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000910463562 1195817278 /nfs/dbraw/zinc/81/72/78/1195817278.db2.gz OBBRIYBIZGLYDQ-UHFFFAOYSA-N 2 1 374.529 0.623 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000910984951 1195873341 /nfs/dbraw/zinc/87/33/41/1195873341.db2.gz QXNLZKFAVCAKRH-WCXIOVBPSA-N 2 1 362.518 0.824 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219037332 1224309078 /nfs/dbraw/zinc/30/90/78/1224309078.db2.gz DPVMVCALEJSPCF-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(CCC[NH+]1CCCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219037332 1224309084 /nfs/dbraw/zinc/30/90/84/1224309084.db2.gz DPVMVCALEJSPCF-YESZJQIVSA-N 2 1 364.490 0.053 20 0 FCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911043601 1195883046 /nfs/dbraw/zinc/88/30/46/1195883046.db2.gz VRSGAVYKFYRTIO-IAGOWNOFSA-N 2 1 374.485 0.247 20 0 FCADMP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000911078826 1195887079 /nfs/dbraw/zinc/88/70/79/1195887079.db2.gz TUCVNVRTAALECK-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911099430 1195888495 /nfs/dbraw/zinc/88/84/95/1195888495.db2.gz DQZLAZXBPCLTAB-ZWKOTPCHSA-N 2 1 358.486 0.965 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911165213 1195903136 /nfs/dbraw/zinc/90/31/36/1195903136.db2.gz OPERDMAMQLJXIJ-SJORKVTESA-N 2 1 374.485 0.390 20 0 FCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911165213 1195903139 /nfs/dbraw/zinc/90/31/39/1195903139.db2.gz OPERDMAMQLJXIJ-SJORKVTESA-N 2 1 374.485 0.390 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911270548 1195925812 /nfs/dbraw/zinc/92/58/12/1195925812.db2.gz YMTMGZAVCZYVCF-IAGOWNOFSA-N 2 1 367.538 0.025 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360123 1196321110 /nfs/dbraw/zinc/32/11/10/1196321110.db2.gz MCTZSMGUIQKAET-VXIBKDFQSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCn2cccn2)CC3)O1 ZINC000991360123 1196321114 /nfs/dbraw/zinc/32/11/14/1196321114.db2.gz MCTZSMGUIQKAET-VXIBKDFQSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCn2cccn2)CC3)O1 ZINC000991360123 1196321118 /nfs/dbraw/zinc/32/11/18/1196321118.db2.gz MCTZSMGUIQKAET-VXIBKDFQSA-N 2 1 361.490 0.715 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCn2cccn2)CC3)O1 ZINC000991360123 1196321124 /nfs/dbraw/zinc/32/11/24/1196321124.db2.gz MCTZSMGUIQKAET-VXIBKDFQSA-N 2 1 361.490 0.715 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654906 1196351083 /nfs/dbraw/zinc/35/10/83/1196351083.db2.gz LVUJLMRTAHRFEP-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654906 1196351089 /nfs/dbraw/zinc/35/10/89/1196351089.db2.gz LVUJLMRTAHRFEP-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCC2CCCC2)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654906 1196351093 /nfs/dbraw/zinc/35/10/93/1196351093.db2.gz LVUJLMRTAHRFEP-PBIMCDDKSA-N 2 1 363.502 0.591 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077444312 1196410616 /nfs/dbraw/zinc/41/06/16/1196410616.db2.gz TVAYQXCDBOWKMD-RTBURBONSA-N 2 1 371.485 0.462 20 0 FCADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077444312 1196410622 /nfs/dbraw/zinc/41/06/22/1196410622.db2.gz TVAYQXCDBOWKMD-RTBURBONSA-N 2 1 371.485 0.462 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739291 1196737048 /nfs/dbraw/zinc/73/70/48/1196737048.db2.gz TUTXHNDXCHZOQM-IRXDYDNUSA-N 2 1 372.469 0.432 20 0 FCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739291 1196737054 /nfs/dbraw/zinc/73/70/54/1196737054.db2.gz TUTXHNDXCHZOQM-IRXDYDNUSA-N 2 1 372.469 0.432 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105977821 1196763463 /nfs/dbraw/zinc/76/34/63/1196763463.db2.gz AFHROAOOQKDHPO-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105977821 1196763469 /nfs/dbraw/zinc/76/34/69/1196763469.db2.gz AFHROAOOQKDHPO-INMHGKMJSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088891819 1196829322 /nfs/dbraw/zinc/82/93/22/1196829322.db2.gz RBZMOCNPWAGBMJ-CABCVRRESA-N 2 1 362.478 0.611 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088891819 1196829324 /nfs/dbraw/zinc/82/93/24/1196829324.db2.gz RBZMOCNPWAGBMJ-CABCVRRESA-N 2 1 362.478 0.611 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001088983771 1196856235 /nfs/dbraw/zinc/85/62/35/1196856235.db2.gz NRXDJJBMXIRDLP-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001088983771 1196856236 /nfs/dbraw/zinc/85/62/36/1196856236.db2.gz NRXDJJBMXIRDLP-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088983241 1196856271 /nfs/dbraw/zinc/85/62/71/1196856271.db2.gz NNFPRKZJWAHEDZ-PBHICJAKSA-N 2 1 356.470 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cn3c[nH+]cc3C)C2)CC[N@@H+]1C ZINC000992160511 1196982133 /nfs/dbraw/zinc/98/21/33/1196982133.db2.gz IOCXIIZUPQGPKD-SJJHQCBESA-N 2 1 361.490 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cn3c[nH+]cc3C)C2)CC[N@H+]1C ZINC000992160511 1196982140 /nfs/dbraw/zinc/98/21/40/1196982140.db2.gz IOCXIIZUPQGPKD-SJJHQCBESA-N 2 1 361.490 0.933 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000992206949 1197018259 /nfs/dbraw/zinc/01/82/59/1197018259.db2.gz RCSHQLHWYLWSAE-RKHAHWSXSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000992206949 1197018265 /nfs/dbraw/zinc/01/82/65/1197018265.db2.gz RCSHQLHWYLWSAE-RKHAHWSXSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001077505234 1197020246 /nfs/dbraw/zinc/02/02/46/1197020246.db2.gz VZHKGEQJGXCTTO-IAGOWNOFSA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001077505234 1197020251 /nfs/dbraw/zinc/02/02/51/1197020251.db2.gz VZHKGEQJGXCTTO-IAGOWNOFSA-N 2 1 363.506 0.536 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC[N@@H+]1C ZINC000992308474 1197057836 /nfs/dbraw/zinc/05/78/36/1197057836.db2.gz CIPQWKVPMIGHMY-UKRRQHHQSA-N 2 1 359.474 0.429 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC[N@H+]1C ZINC000992308474 1197057842 /nfs/dbraw/zinc/05/78/42/1197057842.db2.gz CIPQWKVPMIGHMY-UKRRQHHQSA-N 2 1 359.474 0.429 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC[N@@H+]1C ZINC000992308311 1197057898 /nfs/dbraw/zinc/05/78/98/1197057898.db2.gz BHUWJZYLIYREEA-ZTFGCOKTSA-N 2 1 358.486 0.957 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC[N@H+]1C ZINC000992308311 1197057903 /nfs/dbraw/zinc/05/79/03/1197057903.db2.gz BHUWJZYLIYREEA-ZTFGCOKTSA-N 2 1 358.486 0.957 20 0 FCADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5c[nH+]cn54)CC3)[C@H]2C1 ZINC001272447406 1197082108 /nfs/dbraw/zinc/08/21/08/1197082108.db2.gz XGXZIFMTVMJONV-JYJNAYRXSA-N 2 1 357.458 0.429 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5c[nH+]cn54)CC3)[C@H]2C1 ZINC001272447406 1197082112 /nfs/dbraw/zinc/08/21/12/1197082112.db2.gz XGXZIFMTVMJONV-JYJNAYRXSA-N 2 1 357.458 0.429 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000992393096 1197086223 /nfs/dbraw/zinc/08/62/23/1197086223.db2.gz OWCNOKGHUVTUHF-DLBZAZTESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000992400265 1197088641 /nfs/dbraw/zinc/08/86/41/1197088641.db2.gz NAXJKZKOTJXPJD-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000992400265 1197088647 /nfs/dbraw/zinc/08/86/47/1197088647.db2.gz NAXJKZKOTJXPJD-ARFHVFGLSA-N 2 1 359.474 0.818 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000914115988 1197241089 /nfs/dbraw/zinc/24/10/89/1197241089.db2.gz KRJMZKRZKDBBNG-UHFFFAOYSA-N 2 1 365.522 0.903 20 0 FCADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001219261854 1224407056 /nfs/dbraw/zinc/40/70/56/1224407056.db2.gz CBBIPEMDMLRMKY-PBHICJAKSA-N 2 1 360.414 0.513 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992954224 1197629418 /nfs/dbraw/zinc/62/94/18/1197629418.db2.gz VGWBAFVVIYPQAP-SQGPQFPESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@]3(C)C2)CCC1 ZINC000993031857 1197704070 /nfs/dbraw/zinc/70/40/70/1197704070.db2.gz LXRVMLFRFWZDGP-GJYPPUQNSA-N 2 1 362.518 0.872 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001085241659 1197731114 /nfs/dbraw/zinc/73/11/14/1197731114.db2.gz HREVSEPLJASGNT-HUUCEWRRSA-N 2 1 361.494 0.603 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742853 /nfs/dbraw/zinc/74/28/53/1197742853.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742869 /nfs/dbraw/zinc/74/28/69/1197742869.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 2 1 365.522 0.317 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742880 /nfs/dbraw/zinc/74/28/80/1197742880.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742893 /nfs/dbraw/zinc/74/28/93/1197742893.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 2 1 365.522 0.317 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742903 /nfs/dbraw/zinc/74/29/03/1197742903.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 2 1 365.522 0.317 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnn(C)n2)C1 ZINC001085306885 1197808878 /nfs/dbraw/zinc/80/88/78/1197808878.db2.gz VNSAIJZUZMXLHS-ARFHVFGLSA-N 2 1 363.510 0.849 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085308631 1197810524 /nfs/dbraw/zinc/81/05/24/1197810524.db2.gz AWHJJBYVOIMXHC-BRWVUGGUSA-N 2 1 364.494 0.404 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC001085308631 1197810526 /nfs/dbraw/zinc/81/05/26/1197810526.db2.gz AWHJJBYVOIMXHC-BRWVUGGUSA-N 2 1 364.494 0.404 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001085331800 1197824436 /nfs/dbraw/zinc/82/44/36/1197824436.db2.gz AJLWALFBCOPVBA-ARFHVFGLSA-N 2 1 364.490 0.494 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001212200815 1197837971 /nfs/dbraw/zinc/83/79/71/1197837971.db2.gz ABTLZVSQEVLETG-HZPDHXFCSA-N 2 1 360.462 0.671 20 0 FCADMP CO[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001212200815 1197837973 /nfs/dbraw/zinc/83/79/73/1197837973.db2.gz ABTLZVSQEVLETG-HZPDHXFCSA-N 2 1 360.462 0.671 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)cn1 ZINC001085359427 1197842394 /nfs/dbraw/zinc/84/23/94/1197842394.db2.gz FEEYLCHKUUAZKO-HZPDHXFCSA-N 2 1 361.450 0.659 20 0 FCADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)C2 ZINC001106343309 1197872062 /nfs/dbraw/zinc/87/20/62/1197872062.db2.gz YJPGHDCZGBUTQY-FVQBIDKESA-N 2 1 371.489 0.799 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085432770 1197899576 /nfs/dbraw/zinc/89/95/76/1197899576.db2.gz PFWXLQIECDHCMR-BRWVUGGUSA-N 2 1 365.522 0.903 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993157069 1197901013 /nfs/dbraw/zinc/90/10/13/1197901013.db2.gz QNXAQBWGNLNRFR-APWZRJJASA-N 2 1 371.485 0.594 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106432601 1197920608 /nfs/dbraw/zinc/92/06/08/1197920608.db2.gz ZZXMTRANIYWEJE-RHSMWYFYSA-N 2 1 361.490 0.744 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106431318 1197921323 /nfs/dbraw/zinc/92/13/23/1197921323.db2.gz BDIDLFRXGKCMPK-GDBMZVCRSA-N 2 1 364.494 0.583 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCCC2)[C@H](C)C1 ZINC001106431965 1197921449 /nfs/dbraw/zinc/92/14/49/1197921449.db2.gz OCMYSRHWKAHZEG-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001066279762 1197944118 /nfs/dbraw/zinc/94/41/18/1197944118.db2.gz YORXDJDVOKEETO-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001066279762 1197944130 /nfs/dbraw/zinc/94/41/30/1197944130.db2.gz YORXDJDVOKEETO-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001273350166 1197959243 /nfs/dbraw/zinc/95/92/43/1197959243.db2.gz LLRIATYFDANYCH-KRWDZBQOSA-N 2 1 362.518 0.873 20 0 FCADMP CNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832542 1198021433 /nfs/dbraw/zinc/02/14/33/1198021433.db2.gz JONSOSFHFGUBOH-KSZLIROESA-N 2 1 358.486 0.611 20 0 FCADMP CCOCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404635 1198137246 /nfs/dbraw/zinc/13/72/46/1198137246.db2.gz RBFFZPABUOHTAF-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP CCOCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404635 1198137269 /nfs/dbraw/zinc/13/72/69/1198137269.db2.gz RBFFZPABUOHTAF-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP CCOCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404635 1198137284 /nfs/dbraw/zinc/13/72/84/1198137284.db2.gz RBFFZPABUOHTAF-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP CCOCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404635 1198137298 /nfs/dbraw/zinc/13/72/98/1198137298.db2.gz RBFFZPABUOHTAF-SJLPKXTDSA-N 2 1 371.522 0.417 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168813420 1199036240 /nfs/dbraw/zinc/03/62/40/1199036240.db2.gz UQTXTPGMXLSHQQ-UPJWGTAASA-N 2 1 371.482 0.779 20 0 FCADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398448 1199065627 /nfs/dbraw/zinc/06/56/27/1199065627.db2.gz RKFZKHMROFXNJT-BRSBDYLESA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398448 1199065630 /nfs/dbraw/zinc/06/56/30/1199065630.db2.gz RKFZKHMROFXNJT-BRSBDYLESA-N 2 1 370.490 0.766 20 0 FCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)CO1 ZINC001169398448 1199065638 /nfs/dbraw/zinc/06/56/38/1199065638.db2.gz RKFZKHMROFXNJT-BRSBDYLESA-N 2 1 370.490 0.766 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129334260 1199070602 /nfs/dbraw/zinc/07/06/02/1199070602.db2.gz YBAVWFBGEKMXDQ-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129337498 1199078629 /nfs/dbraw/zinc/07/86/29/1199078629.db2.gz KKPQBCCSNPJXFY-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129337498 1199078634 /nfs/dbraw/zinc/07/86/34/1199078634.db2.gz KKPQBCCSNPJXFY-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001129348064 1199097584 /nfs/dbraw/zinc/09/75/84/1199097584.db2.gz JNRWONPIPFAALS-CVEARBPZSA-N 2 1 368.457 0.090 20 0 FCADMP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728705 1224581141 /nfs/dbraw/zinc/58/11/41/1224581141.db2.gz FIIKVIJMNIPWBO-FHWLQOOXSA-N 3 1 371.529 0.294 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728705 1224581145 /nfs/dbraw/zinc/58/11/45/1224581145.db2.gz FIIKVIJMNIPWBO-FHWLQOOXSA-N 4 1 371.529 0.294 20 0 FCADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728705 1224581153 /nfs/dbraw/zinc/58/11/53/1224581153.db2.gz FIIKVIJMNIPWBO-FHWLQOOXSA-N 4 1 371.529 0.294 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCN1 ZINC001219728751 1224581340 /nfs/dbraw/zinc/58/13/40/1224581340.db2.gz GIUXGBCNEBKSBT-MOPGFXCFSA-N 3 1 371.529 0.166 20 0 FCADMP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739505 1224585608 /nfs/dbraw/zinc/58/56/08/1224585608.db2.gz QHIVODHBIXWZEF-ROUUACIJSA-N 3 1 370.497 0.203 20 0 FCADMP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219739505 1224585612 /nfs/dbraw/zinc/58/56/12/1224585612.db2.gz QHIVODHBIXWZEF-ROUUACIJSA-N 3 1 370.497 0.203 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293796 1200152147 /nfs/dbraw/zinc/15/21/47/1200152147.db2.gz HFLLUOIEDWCZNT-OWSLCNJRSA-N 2 1 362.518 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293796 1200152149 /nfs/dbraw/zinc/15/21/49/1200152149.db2.gz HFLLUOIEDWCZNT-OWSLCNJRSA-N 2 1 362.518 0.917 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001109470415 1200313454 /nfs/dbraw/zinc/31/34/54/1200313454.db2.gz WIQKUPKTOLOLIE-OWSLCNJRSA-N 2 1 371.485 0.908 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001109470415 1200313459 /nfs/dbraw/zinc/31/34/59/1200313459.db2.gz WIQKUPKTOLOLIE-OWSLCNJRSA-N 2 1 371.485 0.908 20 0 FCADMP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1cc[nH+]cc1 ZINC001109471202 1200313692 /nfs/dbraw/zinc/31/36/92/1200313692.db2.gz VAOFYTYRZCQADS-SQNIBIBYSA-N 2 1 369.473 0.921 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109471024 1200314066 /nfs/dbraw/zinc/31/40/66/1200314066.db2.gz ROMBEYUGAMYEOV-ORQFMDKSSA-N 2 1 359.474 0.764 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109471024 1200314075 /nfs/dbraw/zinc/31/40/75/1200314075.db2.gz ROMBEYUGAMYEOV-ORQFMDKSSA-N 2 1 359.474 0.764 20 0 FCADMP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538723 1200370680 /nfs/dbraw/zinc/37/06/80/1200370680.db2.gz PLFYVNFEMCOTLB-IBTBTWTJSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538723 1200370694 /nfs/dbraw/zinc/37/06/94/1200370694.db2.gz PLFYVNFEMCOTLB-IBTBTWTJSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538723 1200370704 /nfs/dbraw/zinc/37/07/04/1200370704.db2.gz PLFYVNFEMCOTLB-IBTBTWTJSA-N 2 1 363.502 0.998 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655008 1200447707 /nfs/dbraw/zinc/44/77/07/1200447707.db2.gz DTYQCSMRIRQMLE-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655008 1200447712 /nfs/dbraw/zinc/44/77/12/1200447712.db2.gz DTYQCSMRIRQMLE-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219794368 1224616172 /nfs/dbraw/zinc/61/61/72/1224616172.db2.gz YCDJZZIBPSDIHI-JXFKEZNVSA-N 2 1 364.534 0.868 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@@H]2O)CCC1 ZINC001219798096 1224618018 /nfs/dbraw/zinc/61/80/18/1224618018.db2.gz DLAARIUKOCBIFQ-CVEARBPZSA-N 2 1 364.494 0.094 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001109928098 1200615178 /nfs/dbraw/zinc/61/51/78/1200615178.db2.gz GVNQWVLBDIRXTL-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001109928098 1200615183 /nfs/dbraw/zinc/61/51/83/1200615183.db2.gz GVNQWVLBDIRXTL-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001109928098 1200615186 /nfs/dbraw/zinc/61/51/86/1200615186.db2.gz GVNQWVLBDIRXTL-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001109928098 1200615189 /nfs/dbraw/zinc/61/51/89/1200615189.db2.gz GVNQWVLBDIRXTL-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CC1 ZINC001219804088 1224622211 /nfs/dbraw/zinc/62/22/11/1224622211.db2.gz MMLVNZLIVQKMJL-IXDOHACOSA-N 2 1 359.430 0.224 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C1CC1 ZINC001219804088 1224622218 /nfs/dbraw/zinc/62/22/18/1224622218.db2.gz MMLVNZLIVQKMJL-IXDOHACOSA-N 2 1 359.430 0.224 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CC1 ZINC001219805570 1224623789 /nfs/dbraw/zinc/62/37/89/1224623789.db2.gz NVLKKXAQSCNMLN-SQNIBIBYSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O)C1CC1 ZINC001219805570 1224623794 /nfs/dbraw/zinc/62/37/94/1224623794.db2.gz NVLKKXAQSCNMLN-SQNIBIBYSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001109980709 1200667349 /nfs/dbraw/zinc/66/73/49/1200667349.db2.gz XUBWVCDCXOOBSV-OWSLCNJRSA-N 2 1 369.506 0.482 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393345 1200807102 /nfs/dbraw/zinc/80/71/02/1200807102.db2.gz IUODKBLJZCBSDJ-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000787484556 1200888648 /nfs/dbraw/zinc/88/86/48/1200888648.db2.gz FEDUHALLOOBOTJ-MRXNPFEDSA-N 2 1 370.457 0.745 20 0 FCADMP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219830310 1224642006 /nfs/dbraw/zinc/64/20/06/1224642006.db2.gz VGMYTARQNNKBJU-KSZLIROESA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830310 1224642010 /nfs/dbraw/zinc/64/20/10/1224642010.db2.gz VGMYTARQNNKBJU-KSZLIROESA-N 2 1 363.506 0.536 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219830310 1224642011 /nfs/dbraw/zinc/64/20/11/1224642011.db2.gz VGMYTARQNNKBJU-KSZLIROESA-N 2 1 363.506 0.536 20 0 FCADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365256 1201095012 /nfs/dbraw/zinc/09/50/12/1201095012.db2.gz BVPXCDKEWSTXIO-OTWHNJEPSA-N 2 1 361.486 0.483 20 0 FCADMP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365256 1201095026 /nfs/dbraw/zinc/09/50/26/1201095026.db2.gz BVPXCDKEWSTXIO-OTWHNJEPSA-N 2 1 361.486 0.483 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001219846957 1224651348 /nfs/dbraw/zinc/65/13/48/1224651348.db2.gz LTFULRJQNIVGCT-IKGGRYGDSA-N 2 1 366.510 0.196 20 0 FCADMP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792323158 1201184473 /nfs/dbraw/zinc/18/44/73/1201184473.db2.gz WMCNGIKCXNXPDX-SFHVURJKSA-N 2 1 370.494 0.112 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792323158 1201184477 /nfs/dbraw/zinc/18/44/77/1201184477.db2.gz WMCNGIKCXNXPDX-SFHVURJKSA-N 2 1 370.494 0.112 20 0 FCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]c2cccc(=NN3C(=O)CCC3=O)[nH]2)O1 ZINC001170276283 1201204225 /nfs/dbraw/zinc/20/42/25/1201204225.db2.gz BUFFMAGXCSAYRB-QFSBIZTOSA-N 2 1 363.418 0.694 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101480 1201261669 /nfs/dbraw/zinc/26/16/69/1201261669.db2.gz QOPQMFIXNQQATH-FZKCQIBNSA-N 2 1 365.522 0.757 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101480 1201261673 /nfs/dbraw/zinc/26/16/73/1201261673.db2.gz QOPQMFIXNQQATH-FZKCQIBNSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101480 1201261678 /nfs/dbraw/zinc/26/16/78/1201261678.db2.gz QOPQMFIXNQQATH-FZKCQIBNSA-N 2 1 365.522 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110101480 1201261684 /nfs/dbraw/zinc/26/16/84/1201261684.db2.gz QOPQMFIXNQQATH-FZKCQIBNSA-N 2 1 365.522 0.757 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407192 1201296838 /nfs/dbraw/zinc/29/68/38/1201296838.db2.gz IAPMODDPANEYFV-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407192 1201296842 /nfs/dbraw/zinc/29/68/42/1201296842.db2.gz IAPMODDPANEYFV-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129407192 1201296844 /nfs/dbraw/zinc/29/68/44/1201296844.db2.gz IAPMODDPANEYFV-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460236 1201325563 /nfs/dbraw/zinc/32/55/63/1201325563.db2.gz HJSGOFRHDHEGJA-SJORKVTESA-N 2 1 366.510 0.775 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460236 1201325565 /nfs/dbraw/zinc/32/55/65/1201325565.db2.gz HJSGOFRHDHEGJA-SJORKVTESA-N 2 1 366.510 0.775 20 0 FCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460236 1201325571 /nfs/dbraw/zinc/32/55/71/1201325571.db2.gz HJSGOFRHDHEGJA-SJORKVTESA-N 2 1 366.510 0.775 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623406 1201348765 /nfs/dbraw/zinc/34/87/65/1201348765.db2.gz CKHDXHKIIXMTII-FGTMMUONSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623406 1201348770 /nfs/dbraw/zinc/34/87/70/1201348770.db2.gz CKHDXHKIIXMTII-FGTMMUONSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086623406 1201348772 /nfs/dbraw/zinc/34/87/72/1201348772.db2.gz CKHDXHKIIXMTII-FGTMMUONSA-N 2 1 358.486 0.611 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086623406 1201348776 /nfs/dbraw/zinc/34/87/76/1201348776.db2.gz CKHDXHKIIXMTII-FGTMMUONSA-N 2 1 358.486 0.611 20 0 FCADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718046 1201377271 /nfs/dbraw/zinc/37/72/71/1201377271.db2.gz VLMFMPOQJZZUJO-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129718046 1201377273 /nfs/dbraw/zinc/37/72/73/1201377273.db2.gz VLMFMPOQJZZUJO-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625042 1201391166 /nfs/dbraw/zinc/39/11/66/1201391166.db2.gz IACCRIDGGNRBON-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625042 1201391171 /nfs/dbraw/zinc/39/11/71/1201391171.db2.gz IACCRIDGGNRBON-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625042 1201391177 /nfs/dbraw/zinc/39/11/77/1201391177.db2.gz IACCRIDGGNRBON-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2c2ccccc2)C1 ZINC001086625042 1201391181 /nfs/dbraw/zinc/39/11/81/1201391181.db2.gz IACCRIDGGNRBON-IPMKNSEASA-N 2 1 361.486 0.674 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910410 1201423308 /nfs/dbraw/zinc/42/33/08/1201423308.db2.gz RSINWYICNSZNAG-ZACQAIPSSA-N 2 1 364.494 0.529 20 0 FCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910484 1201423401 /nfs/dbraw/zinc/42/34/01/1201423401.db2.gz VIHIELJNZRLQNB-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894370 1201428317 /nfs/dbraw/zinc/42/83/17/1201428317.db2.gz CULRBWDSDJUMMQ-SJORKVTESA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919037 1201440594 /nfs/dbraw/zinc/44/05/94/1201440594.db2.gz OSVUCZMHUHKTRU-XHSDSOJGSA-N 2 1 366.510 0.511 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985511 1201468407 /nfs/dbraw/zinc/46/84/07/1201468407.db2.gz ZPUKZQVVYLCOKE-CVEARBPZSA-N 2 1 361.450 0.458 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001129992066 1201470262 /nfs/dbraw/zinc/47/02/62/1201470262.db2.gz KCIPIXCNBFBTFM-BMFZPTHFSA-N 2 1 358.450 0.123 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014681 1201472068 /nfs/dbraw/zinc/47/20/68/1201472068.db2.gz ZERVQEBDHAMASR-MSOLQXFVSA-N 2 1 356.474 0.814 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130026507 1201479714 /nfs/dbraw/zinc/47/97/14/1201479714.db2.gz RYWRULGXVWPBMX-CABCVRRESA-N 2 1 363.441 0.999 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130096198 1201499309 /nfs/dbraw/zinc/49/93/09/1201499309.db2.gz ATJZRUGWPBORNY-SJORKVTESA-N 2 1 366.510 0.777 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130136989 1201514648 /nfs/dbraw/zinc/51/46/48/1201514648.db2.gz CRPNDHSUETWDIF-SJORKVTESA-N 2 1 364.494 0.386 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NCc1ccccc1 ZINC001130184118 1201535859 /nfs/dbraw/zinc/53/58/59/1201535859.db2.gz BEDNBELYNBDCGA-BFYDXBDKSA-N 2 1 362.474 0.116 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NCc1ccccc1 ZINC001130184118 1201535865 /nfs/dbraw/zinc/53/58/65/1201535865.db2.gz BEDNBELYNBDCGA-BFYDXBDKSA-N 2 1 362.474 0.116 20 0 FCADMP CCc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130184303 1201536293 /nfs/dbraw/zinc/53/62/93/1201536293.db2.gz KOCNDABDJLFMLT-RHSMWYFYSA-N 2 1 362.474 0.612 20 0 FCADMP CCc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130184303 1201536297 /nfs/dbraw/zinc/53/62/97/1201536297.db2.gz KOCNDABDJLFMLT-RHSMWYFYSA-N 2 1 362.474 0.612 20 0 FCADMP CC(C)CN(CC(C)C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184430 1201536842 /nfs/dbraw/zinc/53/68/42/1201536842.db2.gz PVHVHUYPYRIFQI-IAGOWNOFSA-N 2 1 370.538 0.552 20 0 FCADMP CC(C)CN(CC(C)C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184430 1201536845 /nfs/dbraw/zinc/53/68/45/1201536845.db2.gz PVHVHUYPYRIFQI-IAGOWNOFSA-N 2 1 370.538 0.552 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c1 ZINC001130184745 1201537453 /nfs/dbraw/zinc/53/74/53/1201537453.db2.gz YYXMLTNLKSTZSY-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c1 ZINC001130184745 1201537455 /nfs/dbraw/zinc/53/74/55/1201537455.db2.gz YYXMLTNLKSTZSY-NVXWUHKLSA-N 2 1 362.474 0.667 20 0 FCADMP CC[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234581 1201558517 /nfs/dbraw/zinc/55/85/17/1201558517.db2.gz BQCDMSULEYAVAZ-ILXRZTDVSA-N 2 1 366.510 0.881 20 0 FCADMP CC[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234581 1201558521 /nfs/dbraw/zinc/55/85/21/1201558521.db2.gz BQCDMSULEYAVAZ-ILXRZTDVSA-N 2 1 366.510 0.881 20 0 FCADMP CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130235152 1201558965 /nfs/dbraw/zinc/55/89/65/1201558965.db2.gz VORFDPAYYBZXMY-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP CC[C@H](F)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130235152 1201558967 /nfs/dbraw/zinc/55/89/67/1201558967.db2.gz VORFDPAYYBZXMY-IHRRRGAJSA-N 2 1 370.473 0.583 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001130237969 1201559942 /nfs/dbraw/zinc/55/99/42/1201559942.db2.gz MVCJNWRNBDOPOV-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001130237969 1201559945 /nfs/dbraw/zinc/55/99/45/1201559945.db2.gz MVCJNWRNBDOPOV-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001130237969 1201559949 /nfs/dbraw/zinc/55/99/49/1201559949.db2.gz MVCJNWRNBDOPOV-KKUMJFAQSA-N 2 1 364.494 0.633 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)C1 ZINC001130249081 1201568859 /nfs/dbraw/zinc/56/88/59/1201568859.db2.gz IWFJIUAAGOSCKZ-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCF)n[nH]2)C1 ZINC001130249081 1201568864 /nfs/dbraw/zinc/56/88/64/1201568864.db2.gz IWFJIUAAGOSCKZ-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCF)n[nH]2)C1 ZINC001130249081 1201568868 /nfs/dbraw/zinc/56/88/68/1201568868.db2.gz IWFJIUAAGOSCKZ-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCF)n2)C1 ZINC001130249081 1201568869 /nfs/dbraw/zinc/56/88/69/1201568869.db2.gz IWFJIUAAGOSCKZ-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCF)n2)C1 ZINC001130249081 1201568873 /nfs/dbraw/zinc/56/88/73/1201568873.db2.gz IWFJIUAAGOSCKZ-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999269 1224722745 /nfs/dbraw/zinc/72/27/45/1224722745.db2.gz OLUCFBRJPLBNJO-OALUTQOASA-N 3 1 359.518 0.690 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001220009083 1224726599 /nfs/dbraw/zinc/72/65/99/1224726599.db2.gz WNRBNNVBEGSMCK-MSOLQXFVSA-N 2 1 358.442 0.926 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001220009083 1224726602 /nfs/dbraw/zinc/72/66/02/1224726602.db2.gz WNRBNNVBEGSMCK-MSOLQXFVSA-N 2 1 358.442 0.926 20 0 FCADMP N=c1sc2c(n1C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1)CC[C@H]([NH3+])C2 ZINC001220022790 1224730741 /nfs/dbraw/zinc/73/07/41/1224730741.db2.gz LXOKPSNXONGSQE-STQMWFEESA-N 2 1 374.466 0.946 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130592903 1202726621 /nfs/dbraw/zinc/72/66/21/1202726621.db2.gz KXPJQPKYXNGPNM-XLMAVXFVSA-N 2 1 363.506 0.681 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130605216 1202733235 /nfs/dbraw/zinc/73/32/35/1202733235.db2.gz ZLCNVBPUIJHZCT-JQHSSLGASA-N 2 1 363.506 0.825 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672136 1202751706 /nfs/dbraw/zinc/75/17/06/1202751706.db2.gz IUIXHXQRWKFPTB-XYJFISCASA-N 2 1 363.506 0.825 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130706606 1202756869 /nfs/dbraw/zinc/75/68/69/1202756869.db2.gz OOHANOABFASIJY-XYJFISCASA-N 2 1 363.506 0.682 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130733927 1202768246 /nfs/dbraw/zinc/76/82/46/1202768246.db2.gz AJCMYXFPJTUONW-JQHSSLGASA-N 2 1 363.506 0.561 20 0 FCADMP CO[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802426 1202803721 /nfs/dbraw/zinc/80/37/21/1202803721.db2.gz UDMBJOMFHVAIAB-HZSPNIEDSA-N 2 1 368.482 0.217 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CCCC1 ZINC001220078157 1224747120 /nfs/dbraw/zinc/74/71/20/1224747120.db2.gz IWZXJXDQQQSFGC-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CCCC1 ZINC001220078157 1224747127 /nfs/dbraw/zinc/74/71/27/1224747127.db2.gz IWZXJXDQQQSFGC-CVEARBPZSA-N 2 1 366.506 0.035 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943951 1202826853 /nfs/dbraw/zinc/82/68/53/1202826853.db2.gz PXDKQOZMXNNSHP-BRWVUGGUSA-N 2 1 363.506 0.825 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CC[N@H+]1C ZINC001130994211 1202838545 /nfs/dbraw/zinc/83/85/45/1202838545.db2.gz NDSZYRIFUQTPKW-YLFCFFPRSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cc(C[C@H]2CC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)cn1 ZINC000747459188 1202873035 /nfs/dbraw/zinc/87/30/35/1202873035.db2.gz AGEVFJSTPGPJCF-CQSZACIVSA-N 2 1 360.462 0.258 20 0 FCADMP Cn1cc(C[C@H]2CC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)cn1 ZINC000747459188 1202873039 /nfs/dbraw/zinc/87/30/39/1202873039.db2.gz AGEVFJSTPGPJCF-CQSZACIVSA-N 2 1 360.462 0.258 20 0 FCADMP COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313001 1202887193 /nfs/dbraw/zinc/88/71/93/1202887193.db2.gz DVAPEZUSRHTSTD-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313001 1202887195 /nfs/dbraw/zinc/88/71/95/1202887195.db2.gz DVAPEZUSRHTSTD-XHSDSOJGSA-N 2 1 368.478 0.081 20 0 FCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001131461545 1202899540 /nfs/dbraw/zinc/89/95/40/1202899540.db2.gz PKIOXCSRORNOAG-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461545 1202899542 /nfs/dbraw/zinc/89/95/42/1202899542.db2.gz PKIOXCSRORNOAG-SQNIBIBYSA-N 2 1 369.506 0.339 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131522291 1202910285 /nfs/dbraw/zinc/91/02/85/1202910285.db2.gz AHWUTLFIFYUHEK-BMFZPTHFSA-N 2 1 368.522 0.576 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001131555699 1202913506 /nfs/dbraw/zinc/91/35/06/1202913506.db2.gz SCARCBYUPVQNTG-AEFFLSMTSA-N 2 1 365.478 0.897 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131588018 1202916524 /nfs/dbraw/zinc/91/65/24/1202916524.db2.gz LUHRZGDLGTZGJH-MJGOQNOKSA-N 2 1 371.522 0.323 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131588236 1202916799 /nfs/dbraw/zinc/91/67/99/1202916799.db2.gz ZEWHTMVRDSDAMD-LMMKCTJWSA-N 2 1 371.522 0.321 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001086761438 1203083114 /nfs/dbraw/zinc/08/31/14/1203083114.db2.gz GNVJAAIUXPNIHA-LXBRFVSJSA-N 2 1 360.458 0.912 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC001086785087 1203092393 /nfs/dbraw/zinc/09/23/93/1203092393.db2.gz JQNIZHCKRRJVEJ-GVDBMIGSSA-N 2 1 363.506 0.904 20 0 FCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001086786336 1203093376 /nfs/dbraw/zinc/09/33/76/1203093376.db2.gz WFYWWYOTRJXMTJ-LUKYLMHMSA-N 2 1 365.522 0.616 20 0 FCADMP CCOCCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863291 1203102052 /nfs/dbraw/zinc/10/20/52/1203102052.db2.gz VGOMEIVGUKNCIG-BRWVUGGUSA-N 2 1 370.538 0.744 20 0 FCADMP C[C@@H](CCCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170869777 1203105915 /nfs/dbraw/zinc/10/59/15/1203105915.db2.gz APYNNCHLEHFCTI-ARFHVFGLSA-N 2 1 366.506 0.740 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001170872706 1203107893 /nfs/dbraw/zinc/10/78/93/1203107893.db2.gz YSZLSFSEYKFUJM-SOUVJXGZSA-N 2 1 369.510 0.437 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)CC2)c1 ZINC000817936694 1203127001 /nfs/dbraw/zinc/12/70/01/1203127001.db2.gz LWFRCSKCCPTLCJ-LJQANCHMSA-N 2 1 357.458 0.393 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001090551967 1203215071 /nfs/dbraw/zinc/21/50/71/1203215071.db2.gz JEMVAXKEDQCEJM-BZUAXINKSA-N 2 1 361.490 0.888 20 0 FCADMP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001090551967 1203215074 /nfs/dbraw/zinc/21/50/74/1203215074.db2.gz JEMVAXKEDQCEJM-BZUAXINKSA-N 2 1 361.490 0.888 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001110104401 1203217940 /nfs/dbraw/zinc/21/79/40/1203217940.db2.gz TWBZUYLSFRFNHZ-MHORFTMASA-N 2 1 361.490 0.573 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@H]1C ZINC001090759857 1203291374 /nfs/dbraw/zinc/29/13/74/1203291374.db2.gz JFRKXNRWBJDUGZ-RHSMWYFYSA-N 2 1 360.506 0.747 20 0 FCADMP O=C([C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001143671074 1203323676 /nfs/dbraw/zinc/32/36/76/1203323676.db2.gz QCSIASKCUHOFOQ-ZCNNSNEGSA-N 2 1 373.497 0.945 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220233633 1224811576 /nfs/dbraw/zinc/81/15/76/1224811576.db2.gz DHGMGJMQVPBRPO-ZACQAIPSSA-N 2 1 370.538 0.523 20 0 FCADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220233633 1224811581 /nfs/dbraw/zinc/81/15/81/1224811581.db2.gz DHGMGJMQVPBRPO-ZACQAIPSSA-N 2 1 370.538 0.523 20 0 FCADMP COc1ccc(OCCC[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220273341 1224818550 /nfs/dbraw/zinc/81/85/50/1224818550.db2.gz IEQDWWYWSJNRFB-MSOLQXFVSA-N 2 1 365.474 0.577 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[NH+](C)C ZINC001220296908 1224822463 /nfs/dbraw/zinc/82/24/63/1224822463.db2.gz ATBRCWDBULHYOF-IXDOHACOSA-N 2 1 361.446 0.470 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)[NH+](C)C ZINC001220296908 1224822466 /nfs/dbraw/zinc/82/24/66/1224822466.db2.gz ATBRCWDBULHYOF-IXDOHACOSA-N 2 1 361.446 0.470 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)[NH+](C)C ZINC001220297102 1224823595 /nfs/dbraw/zinc/82/35/95/1224823595.db2.gz LBMKGTQYHSMXOM-IXDOHACOSA-N 2 1 362.474 0.033 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)[NH+](C)C ZINC001220297102 1224823597 /nfs/dbraw/zinc/82/35/97/1224823597.db2.gz LBMKGTQYHSMXOM-IXDOHACOSA-N 2 1 362.474 0.033 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001220306111 1224824330 /nfs/dbraw/zinc/82/43/30/1224824330.db2.gz CJYNBBZXUGHSDQ-RXVVDRJESA-N 2 1 371.529 0.466 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])CC[C@@H]21 ZINC001144132166 1204423237 /nfs/dbraw/zinc/42/32/37/1204423237.db2.gz HFVZKCYULKFKBP-PMPSAXMXSA-N 2 1 361.494 0.408 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001091095707 1204512950 /nfs/dbraw/zinc/51/29/50/1204512950.db2.gz AMBQLQKFKJBKTR-LHUBUQBQSA-N 2 1 362.474 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC001091095707 1204512959 /nfs/dbraw/zinc/51/29/59/1204512959.db2.gz AMBQLQKFKJBKTR-LHUBUQBQSA-N 2 1 362.474 0.089 20 0 FCADMP [NH3+]CCCNCC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358285 1224842597 /nfs/dbraw/zinc/84/25/97/1224842597.db2.gz QMJTUYFBIOFSLZ-IRXDYDNUSA-N 2 1 362.474 0.500 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cc(N3CC[NH+](C)CC3)ncn2)c1 ZINC001144933199 1204659949 /nfs/dbraw/zinc/65/99/49/1204659949.db2.gz MBUKKDJDDRBUKT-MRXNPFEDSA-N 2 1 370.457 0.746 20 0 FCADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001144935750 1204661356 /nfs/dbraw/zinc/66/13/56/1204661356.db2.gz JTJGTTPMMWULKH-CEXWTWQISA-N 2 1 359.470 0.887 20 0 FCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220373039 1224847263 /nfs/dbraw/zinc/84/72/63/1224847263.db2.gz XJTJSPNEFLSNSV-OTWHNJEPSA-N 2 1 361.486 0.359 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220373039 1224847265 /nfs/dbraw/zinc/84/72/65/1224847265.db2.gz XJTJSPNEFLSNSV-OTWHNJEPSA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220373039 1224847273 /nfs/dbraw/zinc/84/72/73/1224847273.db2.gz XJTJSPNEFLSNSV-OTWHNJEPSA-N 2 1 361.486 0.359 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220373039 1224847275 /nfs/dbraw/zinc/84/72/75/1224847275.db2.gz XJTJSPNEFLSNSV-OTWHNJEPSA-N 2 1 361.486 0.359 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O)[NH+](C)C ZINC001220376367 1224848901 /nfs/dbraw/zinc/84/89/01/1224848901.db2.gz XBOARFHXAMHRQB-IKGGRYGDSA-N 2 1 362.474 0.048 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1O)[NH+](C)C ZINC001220376367 1224848904 /nfs/dbraw/zinc/84/89/04/1224848904.db2.gz XBOARFHXAMHRQB-IKGGRYGDSA-N 2 1 362.474 0.048 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)N(C)CC2CC2)C3)CC[N@H+]1C ZINC001147583858 1204798351 /nfs/dbraw/zinc/79/83/51/1204798351.db2.gz YIDHBTVAJRETJK-NVXWUHKLSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)CC2CC2)C3)CC[NH+]1C ZINC001147583858 1204798355 /nfs/dbraw/zinc/79/83/55/1204798355.db2.gz YIDHBTVAJRETJK-NVXWUHKLSA-N 2 1 362.518 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)CC2CC2)C3)CC[NH+]1C ZINC001147583858 1204798358 /nfs/dbraw/zinc/79/83/58/1204798358.db2.gz YIDHBTVAJRETJK-NVXWUHKLSA-N 2 1 362.518 0.729 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716189 1204831262 /nfs/dbraw/zinc/83/12/62/1204831262.db2.gz MZHGAVWTOHVMFD-RKVPGOIHSA-N 2 1 361.494 0.365 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721264 1204832850 /nfs/dbraw/zinc/83/28/50/1204832850.db2.gz YDXZJYDOXZXHEI-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721264 1204832851 /nfs/dbraw/zinc/83/28/51/1204832851.db2.gz YDXZJYDOXZXHEI-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721264 1204832855 /nfs/dbraw/zinc/83/28/55/1204832855.db2.gz YDXZJYDOXZXHEI-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721264 1204832856 /nfs/dbraw/zinc/83/28/56/1204832856.db2.gz YDXZJYDOXZXHEI-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001091721264 1204832857 /nfs/dbraw/zinc/83/28/57/1204832857.db2.gz YDXZJYDOXZXHEI-AYBZRNKSSA-N 2 1 360.506 0.970 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754058 1204844307 /nfs/dbraw/zinc/84/43/07/1204844307.db2.gz AXDKNWOHUJGMCG-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754058 1204844308 /nfs/dbraw/zinc/84/43/08/1204844308.db2.gz AXDKNWOHUJGMCG-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091754058 1204844312 /nfs/dbraw/zinc/84/43/12/1204844312.db2.gz AXDKNWOHUJGMCG-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091754356 1204844331 /nfs/dbraw/zinc/84/43/31/1204844331.db2.gz OUHLLJZASNEZID-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091754356 1204844333 /nfs/dbraw/zinc/84/43/33/1204844333.db2.gz OUHLLJZASNEZID-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2c2cnn(C)c2)cn1 ZINC001086970896 1204870723 /nfs/dbraw/zinc/87/07/23/1204870723.db2.gz MIJKLJACFSEQCC-KSZLIROESA-N 2 1 371.489 0.332 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3ccon3)C2)CC[N@@H+]1C ZINC001086979705 1204877726 /nfs/dbraw/zinc/87/77/26/1204877726.db2.gz NOHOKQNYCROZCW-NKGKWGDASA-N 2 1 372.473 0.833 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3ccon3)C2)CC[N@H+]1C ZINC001086979705 1204877727 /nfs/dbraw/zinc/87/77/27/1204877727.db2.gz NOHOKQNYCROZCW-NKGKWGDASA-N 2 1 372.473 0.833 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993779 1204885115 /nfs/dbraw/zinc/88/51/15/1204885115.db2.gz RCQKTXVVWIZZAJ-KSZLIROESA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993779 1204885119 /nfs/dbraw/zinc/88/51/19/1204885119.db2.gz RCQKTXVVWIZZAJ-KSZLIROESA-N 2 1 363.506 0.822 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087034983 1204910637 /nfs/dbraw/zinc/91/06/37/1204910637.db2.gz GNFZHWYSULZNIR-BPQIPLTHSA-N 2 1 361.490 0.832 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087055511 1204936025 /nfs/dbraw/zinc/93/60/25/1204936025.db2.gz RALVTRBVGJUYJD-JOCBIADPSA-N 2 1 363.506 0.713 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087059416 1204944808 /nfs/dbraw/zinc/94/48/08/1204944808.db2.gz DQKJQLJOZYHBAE-RHSMWYFYSA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087063386 1204950606 /nfs/dbraw/zinc/95/06/06/1204950606.db2.gz WJCJAFCKSTVIPJ-DJIMGWMZSA-N 2 1 364.494 0.253 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087083945 1204972534 /nfs/dbraw/zinc/97/25/34/1204972534.db2.gz ZCIBFBMLYLJBJD-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083857 1204972994 /nfs/dbraw/zinc/97/29/94/1204972994.db2.gz VTBUERPWSVFSOF-FVQBIDKESA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087083857 1204972998 /nfs/dbraw/zinc/97/29/98/1204972998.db2.gz VTBUERPWSVFSOF-FVQBIDKESA-N 2 1 365.478 0.815 20 0 FCADMP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087079419 1204989969 /nfs/dbraw/zinc/98/99/69/1204989969.db2.gz OEJZQZWPROYYHZ-HZPDHXFCSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087100734 1204997073 /nfs/dbraw/zinc/99/70/73/1204997073.db2.gz BBXBVEDFIZQHQA-LZLYRXPVSA-N 2 1 363.506 0.633 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087100828 1204997146 /nfs/dbraw/zinc/99/71/46/1204997146.db2.gz GSXDUVHSPGRMFL-BRWVUGGUSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087100732 1204998240 /nfs/dbraw/zinc/99/82/40/1204998240.db2.gz BBWBMZBRQLAAMV-LZLYRXPVSA-N 2 1 361.490 0.690 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087101740 1204999459 /nfs/dbraw/zinc/99/94/59/1204999459.db2.gz ZDIXVPGUPZBDHT-HUUCEWRRSA-N 2 1 365.478 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087096317 1205003343 /nfs/dbraw/zinc/00/33/43/1205003343.db2.gz IKYBVNCELJWCJV-ZMSDIMECSA-N 2 1 365.478 0.673 20 0 FCADMP Cc1c(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001091807819 1205021081 /nfs/dbraw/zinc/02/10/81/1205021081.db2.gz RMPXMBMCKLSDSK-LIVBEALHSA-N 2 1 367.453 0.925 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncn4C)C[C@@]3(C)C2)O1 ZINC001091780490 1205025924 /nfs/dbraw/zinc/02/59/24/1205025924.db2.gz MNYZQXFMDZWKQP-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncn4C)C[C@@]3(C)C2)O1 ZINC001091780490 1205025928 /nfs/dbraw/zinc/02/59/28/1205025928.db2.gz MNYZQXFMDZWKQP-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncn4C)C[C@@]3(C)C2)O1 ZINC001091780490 1205025933 /nfs/dbraw/zinc/02/59/33/1205025933.db2.gz MNYZQXFMDZWKQP-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncn4C)C[C@@]3(C)C2)O1 ZINC001091780490 1205025939 /nfs/dbraw/zinc/02/59/39/1205025939.db2.gz MNYZQXFMDZWKQP-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091783324 1205027458 /nfs/dbraw/zinc/02/74/58/1205027458.db2.gz YZKMFZGFJRFGPZ-CLCXKQKWSA-N 2 1 364.490 0.256 20 0 FCADMP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975155 1205105652 /nfs/dbraw/zinc/10/56/52/1205105652.db2.gz HWVNBFWGTWUVBC-GMBSWORKSA-N 2 1 360.506 0.998 20 0 FCADMP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975155 1205105660 /nfs/dbraw/zinc/10/56/60/1205105660.db2.gz HWVNBFWGTWUVBC-GMBSWORKSA-N 2 1 360.506 0.998 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014617 1205113342 /nfs/dbraw/zinc/11/33/42/1205113342.db2.gz ALUXBUPKSAMSKN-QINHECLXSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014617 1205113347 /nfs/dbraw/zinc/11/33/47/1205113347.db2.gz ALUXBUPKSAMSKN-QINHECLXSA-N 2 1 362.518 0.777 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014617 1205113352 /nfs/dbraw/zinc/11/33/52/1205113352.db2.gz ALUXBUPKSAMSKN-QINHECLXSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)(OC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC001220431617 1224870359 /nfs/dbraw/zinc/87/03/59/1224870359.db2.gz KYYCLKVCZPBMFV-CVEARBPZSA-N 2 1 363.458 0.677 20 0 FCADMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092071358 1205135121 /nfs/dbraw/zinc/13/51/21/1205135121.db2.gz SMIUBINTKJTKDU-HLIPFELVSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC001092099501 1205154922 /nfs/dbraw/zinc/15/49/22/1205154922.db2.gz VIRRLVAEHGZTOM-NSHGMRRFSA-N 2 1 365.518 0.916 20 0 FCADMP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC001092099501 1205154924 /nfs/dbraw/zinc/15/49/24/1205154924.db2.gz VIRRLVAEHGZTOM-NSHGMRRFSA-N 2 1 365.518 0.916 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203639 1205196998 /nfs/dbraw/zinc/19/69/98/1205196998.db2.gz FNZBBYXERUVNTB-MUKKUYKPSA-N 2 1 359.474 0.805 20 0 FCADMP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272610 1205220232 /nfs/dbraw/zinc/22/02/32/1205220232.db2.gz HGGCXUWWIGAWQV-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272610 1205220238 /nfs/dbraw/zinc/22/02/38/1205220238.db2.gz HGGCXUWWIGAWQV-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272610 1205220244 /nfs/dbraw/zinc/22/02/44/1205220244.db2.gz HGGCXUWWIGAWQV-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP COc1cncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272610 1205220254 /nfs/dbraw/zinc/22/02/54/1205220254.db2.gz HGGCXUWWIGAWQV-CLCXKQKWSA-N 2 1 359.474 0.717 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092276195 1205222960 /nfs/dbraw/zinc/22/29/60/1205222960.db2.gz GDNGWYCBFMFNPG-BEFAXECRSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092276195 1205222966 /nfs/dbraw/zinc/22/29/66/1205222966.db2.gz GDNGWYCBFMFNPG-BEFAXECRSA-N 2 1 359.474 0.593 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301381 1205234172 /nfs/dbraw/zinc/23/41/72/1205234172.db2.gz GCADJLOZGJARFX-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301381 1205234176 /nfs/dbraw/zinc/23/41/76/1205234176.db2.gz GCADJLOZGJARFX-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092301381 1205234183 /nfs/dbraw/zinc/23/41/83/1205234183.db2.gz GCADJLOZGJARFX-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)C1=O ZINC001092301477 1205234266 /nfs/dbraw/zinc/23/42/66/1205234266.db2.gz JZGSMJBCNYLJQI-UWVAXJGDSA-N 2 1 362.518 0.873 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292156 1205256869 /nfs/dbraw/zinc/25/68/69/1205256869.db2.gz PAJRVHMIXXFGFR-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292156 1205256872 /nfs/dbraw/zinc/25/68/72/1205256872.db2.gz PAJRVHMIXXFGFR-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292156 1205256876 /nfs/dbraw/zinc/25/68/76/1205256876.db2.gz PAJRVHMIXXFGFR-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncn4C)C[C@@]3(C)C2)C1 ZINC001092292156 1205256880 /nfs/dbraw/zinc/25/68/80/1205256880.db2.gz PAJRVHMIXXFGFR-SUMDDJOVSA-N 2 1 361.490 0.421 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092503969 1205296304 /nfs/dbraw/zinc/29/63/04/1205296304.db2.gz FCAWEVLIHGESFA-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092503969 1205296308 /nfs/dbraw/zinc/29/63/08/1205296308.db2.gz FCAWEVLIHGESFA-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)n1 ZINC001092503969 1205296313 /nfs/dbraw/zinc/29/63/13/1205296313.db2.gz FCAWEVLIHGESFA-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@H](C)C2)n1 ZINC001092503969 1205296316 /nfs/dbraw/zinc/29/63/16/1205296316.db2.gz FCAWEVLIHGESFA-RBSFLKMASA-N 2 1 365.478 0.537 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504738 1205296922 /nfs/dbraw/zinc/29/69/22/1205296922.db2.gz YHHBUSCEROSSLD-KYJSFNMBSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504738 1205296926 /nfs/dbraw/zinc/29/69/26/1205296926.db2.gz YHHBUSCEROSSLD-KYJSFNMBSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504738 1205296929 /nfs/dbraw/zinc/29/69/29/1205296929.db2.gz YHHBUSCEROSSLD-KYJSFNMBSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504738 1205296934 /nfs/dbraw/zinc/29/69/34/1205296934.db2.gz YHHBUSCEROSSLD-KYJSFNMBSA-N 2 1 360.506 0.966 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611479 1205324329 /nfs/dbraw/zinc/32/43/29/1205324329.db2.gz XTGVPZWUQYAEJL-KYJSFNMBSA-N 2 1 362.518 0.633 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615818 1205329280 /nfs/dbraw/zinc/32/92/80/1205329280.db2.gz QQQCVENJACYVLM-FMKPAKJESA-N 2 1 364.494 0.006 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](C)C2)n1C ZINC001092620567 1205330165 /nfs/dbraw/zinc/33/01/65/1205330165.db2.gz OQGDBMJJQGOVGQ-KLHDSHLOSA-N 2 1 362.522 0.902 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](C)C2)n1C ZINC001092620567 1205330166 /nfs/dbraw/zinc/33/01/66/1205330166.db2.gz OQGDBMJJQGOVGQ-KLHDSHLOSA-N 2 1 362.522 0.902 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)n1C ZINC001092620567 1205330168 /nfs/dbraw/zinc/33/01/68/1205330168.db2.gz OQGDBMJJQGOVGQ-KLHDSHLOSA-N 2 1 362.522 0.902 20 0 FCADMP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C)C2)n1C ZINC001092620567 1205330170 /nfs/dbraw/zinc/33/01/70/1205330170.db2.gz OQGDBMJJQGOVGQ-KLHDSHLOSA-N 2 1 362.522 0.902 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001092910037 1205940084 /nfs/dbraw/zinc/94/00/84/1205940084.db2.gz PVWWWITWHUDPEW-CBBWQLFWSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001092910037 1205940086 /nfs/dbraw/zinc/94/00/86/1205940086.db2.gz PVWWWITWHUDPEW-CBBWQLFWSA-N 2 1 364.494 0.023 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001092910037 1205940088 /nfs/dbraw/zinc/94/00/88/1205940088.db2.gz PVWWWITWHUDPEW-CBBWQLFWSA-N 2 1 364.494 0.023 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092919640 1205946108 /nfs/dbraw/zinc/94/61/08/1205946108.db2.gz VTVXBRYHJAOIFI-VNQPRFMTSA-N 2 1 361.490 0.526 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092919640 1205946111 /nfs/dbraw/zinc/94/61/11/1205946111.db2.gz VTVXBRYHJAOIFI-VNQPRFMTSA-N 2 1 361.490 0.526 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092936680 1205962752 /nfs/dbraw/zinc/96/27/52/1205962752.db2.gz HATNDOSPCCYZCL-JFIYKMOQSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092967903 1205968305 /nfs/dbraw/zinc/96/83/05/1205968305.db2.gz JDIVCRMQCKIGFA-HZSPNIEDSA-N 2 1 363.462 0.442 20 0 FCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092967903 1205968308 /nfs/dbraw/zinc/96/83/08/1205968308.db2.gz JDIVCRMQCKIGFA-HZSPNIEDSA-N 2 1 363.462 0.442 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220547948 1224920700 /nfs/dbraw/zinc/92/07/00/1224920700.db2.gz OVVBOKQXIQSLCP-KURKYZTESA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220547948 1224920706 /nfs/dbraw/zinc/92/07/06/1224920706.db2.gz OVVBOKQXIQSLCP-KURKYZTESA-N 2 1 369.506 0.077 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040446 1206001607 /nfs/dbraw/zinc/00/16/07/1206001607.db2.gz PIUWDWZHYQSMTA-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040446 1206001611 /nfs/dbraw/zinc/00/16/11/1206001611.db2.gz PIUWDWZHYQSMTA-HUUCEWRRSA-N 2 1 360.462 0.931 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084452 1206014672 /nfs/dbraw/zinc/01/46/72/1206014672.db2.gz KBTCCOZKLXBEEY-QLFBSQMISA-N 2 1 370.457 0.700 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084452 1206014679 /nfs/dbraw/zinc/01/46/79/1206014679.db2.gz KBTCCOZKLXBEEY-QLFBSQMISA-N 2 1 370.457 0.700 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136978 1206034405 /nfs/dbraw/zinc/03/44/05/1206034405.db2.gz GKBYGXKQCYSLHS-CPUCHLNUSA-N 2 1 359.474 0.676 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193820 1206052992 /nfs/dbraw/zinc/05/29/92/1206052992.db2.gz MQTVGIDUZBJGMC-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193820 1206052997 /nfs/dbraw/zinc/05/29/97/1206052997.db2.gz MQTVGIDUZBJGMC-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193820 1206053001 /nfs/dbraw/zinc/05/30/01/1206053001.db2.gz MQTVGIDUZBJGMC-KZNAEPCWSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193824 1206053268 /nfs/dbraw/zinc/05/32/68/1206053268.db2.gz MTGVPMODYPXIBB-OWCLPIDISA-N 2 1 360.506 0.750 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193824 1206053269 /nfs/dbraw/zinc/05/32/69/1206053269.db2.gz MTGVPMODYPXIBB-OWCLPIDISA-N 2 1 360.506 0.750 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193824 1206053270 /nfs/dbraw/zinc/05/32/70/1206053270.db2.gz MTGVPMODYPXIBB-OWCLPIDISA-N 2 1 360.506 0.750 20 0 FCADMP C[C@@H]1C[NH+](Cc2nnc3n2CCCC3)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193824 1206053272 /nfs/dbraw/zinc/05/32/72/1206053272.db2.gz MTGVPMODYPXIBB-OWCLPIDISA-N 2 1 360.506 0.750 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001093289272 1206073862 /nfs/dbraw/zinc/07/38/62/1206073862.db2.gz XCPWXHVBMWDSGE-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001093672743 1206099296 /nfs/dbraw/zinc/09/92/96/1206099296.db2.gz CBQGBKGVJMWQJK-BMFZPTHFSA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001093673695 1206099355 /nfs/dbraw/zinc/09/93/55/1206099355.db2.gz UVYFDWCQCOJEPO-FVQBIDKESA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001093673004 1206099425 /nfs/dbraw/zinc/09/94/25/1206099425.db2.gz HZOZSXWDGZBJKF-MGPQQGTHSA-N 2 1 370.448 0.822 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001093690845 1206100783 /nfs/dbraw/zinc/10/07/83/1206100783.db2.gz GYZYNJMWYGFBCM-IIDMSEBBSA-N 2 1 361.490 0.344 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001093690845 1206100786 /nfs/dbraw/zinc/10/07/86/1206100786.db2.gz GYZYNJMWYGFBCM-IIDMSEBBSA-N 2 1 361.490 0.344 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001093779322 1206122506 /nfs/dbraw/zinc/12/25/06/1206122506.db2.gz CQSOCRZHIUJYGL-KLHDSHLOSA-N 2 1 363.510 0.778 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093825832 1206124270 /nfs/dbraw/zinc/12/42/70/1206124270.db2.gz RBUZBTLENXAXBB-HUUCEWRRSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093824114 1206124332 /nfs/dbraw/zinc/12/43/32/1206124332.db2.gz HHNNBYCAECJARJ-RBSFLKMASA-N 2 1 357.462 0.773 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857678 1206135338 /nfs/dbraw/zinc/13/53/38/1206135338.db2.gz RLIBUCWLGASXLK-QBPKDAKJSA-N 2 1 363.506 0.806 20 0 FCADMP CCn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857678 1206135341 /nfs/dbraw/zinc/13/53/41/1206135341.db2.gz RLIBUCWLGASXLK-QBPKDAKJSA-N 2 1 363.506 0.806 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093993033 1206165410 /nfs/dbraw/zinc/16/54/10/1206165410.db2.gz AALQMECDTSMHBU-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)C1 ZINC001093993033 1206165415 /nfs/dbraw/zinc/16/54/15/1206165415.db2.gz AALQMECDTSMHBU-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)C2 ZINC001094043228 1206174720 /nfs/dbraw/zinc/17/47/20/1206174720.db2.gz BVIJOBYQWAGXNS-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)C2 ZINC001094043229 1206174983 /nfs/dbraw/zinc/17/49/83/1206174983.db2.gz BVIJOBYQWAGXNS-VNQPRFMTSA-N 2 1 371.489 0.767 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001094110569 1206185779 /nfs/dbraw/zinc/18/57/79/1206185779.db2.gz GWPLUEFCHMHEML-NVXWUHKLSA-N 2 1 361.490 0.691 20 0 FCADMP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094165646 1206197784 /nfs/dbraw/zinc/19/77/84/1206197784.db2.gz VIBARCNBENZYMM-BZUAXINKSA-N 2 1 363.510 0.780 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)CC1 ZINC001094143312 1206200479 /nfs/dbraw/zinc/20/04/79/1206200479.db2.gz LTGFGJYKFWOQET-GDBMZVCRSA-N 2 1 363.510 0.515 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)C1 ZINC001094232508 1206208131 /nfs/dbraw/zinc/20/81/31/1206208131.db2.gz WYOUMYOHSPHMHK-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)C1 ZINC001094232508 1206208135 /nfs/dbraw/zinc/20/81/35/1206208135.db2.gz WYOUMYOHSPHMHK-OLMNPRSZSA-N 2 1 361.490 0.690 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+]([C@@H](C)COC)C3)nn2)CC[N@@H+]1C ZINC001094293294 1206215279 /nfs/dbraw/zinc/21/52/79/1206215279.db2.gz IUSCIDODMPXSLZ-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+]([C@@H](C)COC)C3)nn2)CC[N@H+]1C ZINC001094293294 1206215283 /nfs/dbraw/zinc/21/52/83/1206215283.db2.gz IUSCIDODMPXSLZ-RRQGHBQHSA-N 2 1 364.494 0.516 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434096 1206225626 /nfs/dbraw/zinc/22/56/26/1206225626.db2.gz RZHIKIOZDZMQCP-SPYBWZPUSA-N 2 1 359.474 0.867 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094434096 1206225628 /nfs/dbraw/zinc/22/56/28/1206225628.db2.gz RZHIKIOZDZMQCP-SPYBWZPUSA-N 2 1 359.474 0.867 20 0 FCADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)CC1 ZINC001094503278 1206234216 /nfs/dbraw/zinc/23/42/16/1206234216.db2.gz FHDMHYJSNUZNOH-YLJYHZDGSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532280 1206236632 /nfs/dbraw/zinc/23/66/32/1206236632.db2.gz JYLMALUJAANBEK-SZVBFZGTSA-N 2 1 363.506 0.800 20 0 FCADMP c1cc(-c2noc(C3=NO[C@@H]4C[NH2+]C[C@H]34)n2)ccc1C[NH+]1CCOCC1 ZINC001212628351 1206252381 /nfs/dbraw/zinc/25/23/81/1206252381.db2.gz ANNVXGZURMXQEH-LSDHHAIUSA-N 2 1 355.398 0.891 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220573347 1224941852 /nfs/dbraw/zinc/94/18/52/1224941852.db2.gz VCIZYOKNJZQYBU-SQNIBIBYSA-N 2 1 365.522 0.490 20 0 FCADMP COCCCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178517978 1206358198 /nfs/dbraw/zinc/35/81/98/1206358198.db2.gz CVOQWKCLLXNKIK-IAGOWNOFSA-N 2 1 370.538 0.746 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811714 1206365750 /nfs/dbraw/zinc/36/57/50/1206365750.db2.gz ZRCQHMZYWUJFQM-IXDOHACOSA-N 2 1 370.538 0.886 20 0 FCADMP CCCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811714 1206365753 /nfs/dbraw/zinc/36/57/53/1206365753.db2.gz ZRCQHMZYWUJFQM-IXDOHACOSA-N 2 1 370.538 0.886 20 0 FCADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC001178996372 1206370373 /nfs/dbraw/zinc/37/03/73/1206370373.db2.gz LKAKWXPFYYGPMS-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC001178996372 1206370377 /nfs/dbraw/zinc/37/03/77/1206370377.db2.gz LKAKWXPFYYGPMS-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001178996372 1206370380 /nfs/dbraw/zinc/37/03/80/1206370380.db2.gz LKAKWXPFYYGPMS-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCCN(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001178996372 1206370384 /nfs/dbraw/zinc/37/03/84/1206370384.db2.gz LKAKWXPFYYGPMS-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[NH+]1CCN(c2ncccc2NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180607903 1206396737 /nfs/dbraw/zinc/39/67/37/1206396737.db2.gz NMJUIYBKJFLEBN-UHFFFAOYSA-N 2 1 374.489 0.359 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cncn1C ZINC001181873701 1206416533 /nfs/dbraw/zinc/41/65/33/1206416533.db2.gz FRXLXTMMAFNZIW-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cncn1C ZINC001181873701 1206416534 /nfs/dbraw/zinc/41/65/34/1206416534.db2.gz FRXLXTMMAFNZIW-FXRXJOCMSA-N 2 1 363.506 0.713 20 0 FCADMP C[NH+]1CCC(O)(C(=O)N(Cc2cn3c(n2)C[NH2+]CC3)c2ccccn2)CC1 ZINC001182031863 1206419153 /nfs/dbraw/zinc/41/91/53/1206419153.db2.gz PXLIOUFXJXLPTP-UHFFFAOYSA-N 2 1 370.457 0.371 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)C1 ZINC001273510676 1206487527 /nfs/dbraw/zinc/48/75/27/1206487527.db2.gz HPPUKUKJACWLQB-XWTMOSNGSA-N 2 1 360.502 0.482 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039568 1206491035 /nfs/dbraw/zinc/49/10/35/1206491035.db2.gz YIUAIUYABUJUAH-RYRKJORJSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039568 1206491036 /nfs/dbraw/zinc/49/10/36/1206491036.db2.gz YIUAIUYABUJUAH-RYRKJORJSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039568 1206491037 /nfs/dbraw/zinc/49/10/37/1206491037.db2.gz YIUAIUYABUJUAH-RYRKJORJSA-N 2 1 363.433 0.556 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001186039568 1206491039 /nfs/dbraw/zinc/49/10/39/1206491039.db2.gz YIUAIUYABUJUAH-RYRKJORJSA-N 2 1 363.433 0.556 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001186039273 1206492093 /nfs/dbraw/zinc/49/20/93/1206492093.db2.gz WTYGRVAAEPRTEO-FCGDIQPGSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001186039273 1206492094 /nfs/dbraw/zinc/49/20/94/1206492094.db2.gz WTYGRVAAEPRTEO-FCGDIQPGSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001186039273 1206492095 /nfs/dbraw/zinc/49/20/95/1206492095.db2.gz WTYGRVAAEPRTEO-FCGDIQPGSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001186039273 1206492096 /nfs/dbraw/zinc/49/20/96/1206492096.db2.gz WTYGRVAAEPRTEO-FCGDIQPGSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001186039274 1206492130 /nfs/dbraw/zinc/49/21/30/1206492130.db2.gz WTYGRVAAEPRTEO-INDMIFKZSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001186039274 1206492131 /nfs/dbraw/zinc/49/21/31/1206492131.db2.gz WTYGRVAAEPRTEO-INDMIFKZSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001186039274 1206492132 /nfs/dbraw/zinc/49/21/32/1206492132.db2.gz WTYGRVAAEPRTEO-INDMIFKZSA-N 2 1 374.485 0.196 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001186039274 1206492133 /nfs/dbraw/zinc/49/21/33/1206492133.db2.gz WTYGRVAAEPRTEO-INDMIFKZSA-N 2 1 374.485 0.196 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642661 1224983129 /nfs/dbraw/zinc/98/31/29/1224983129.db2.gz HNVHCUCPDMKOSA-MSOLQXFVSA-N 2 1 362.474 0.162 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642661 1224983137 /nfs/dbraw/zinc/98/31/37/1224983137.db2.gz HNVHCUCPDMKOSA-MSOLQXFVSA-N 2 1 362.474 0.162 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856882 1207395876 /nfs/dbraw/zinc/39/58/76/1207395876.db2.gz DYYLBTUAHNRPJU-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856882 1207395879 /nfs/dbraw/zinc/39/58/79/1207395879.db2.gz DYYLBTUAHNRPJU-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856882 1207395882 /nfs/dbraw/zinc/39/58/82/1207395882.db2.gz DYYLBTUAHNRPJU-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001187856882 1207395884 /nfs/dbraw/zinc/39/58/84/1207395884.db2.gz DYYLBTUAHNRPJU-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957977 1207405664 /nfs/dbraw/zinc/40/56/64/1207405664.db2.gz ATQSWODIIJHLME-BZZMCLGOSA-N 2 1 366.506 0.012 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957977 1207405670 /nfs/dbraw/zinc/40/56/70/1207405670.db2.gz ATQSWODIIJHLME-BZZMCLGOSA-N 2 1 366.506 0.012 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001188075341 1207420341 /nfs/dbraw/zinc/42/03/41/1207420341.db2.gz WNBBYEBLFSUNRV-USXIJHARSA-N 2 1 368.497 0.820 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001188075341 1207420351 /nfs/dbraw/zinc/42/03/51/1207420351.db2.gz WNBBYEBLFSUNRV-USXIJHARSA-N 2 1 368.497 0.820 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956444 1207492237 /nfs/dbraw/zinc/49/22/37/1207492237.db2.gz JYKODWPLLWKWBV-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956444 1207492246 /nfs/dbraw/zinc/49/22/46/1207492246.db2.gz JYKODWPLLWKWBV-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001188962890 1207492935 /nfs/dbraw/zinc/49/29/35/1207492935.db2.gz JGBWUSDDZSEZHA-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)CC1 ZINC001188962890 1207492938 /nfs/dbraw/zinc/49/29/38/1207492938.db2.gz JGBWUSDDZSEZHA-DLBZAZTESA-N 2 1 362.518 0.873 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964139 1207493290 /nfs/dbraw/zinc/49/32/90/1207493290.db2.gz VYEYQYABQKNHMU-DLBZAZTESA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964139 1207493294 /nfs/dbraw/zinc/49/32/94/1207493294.db2.gz VYEYQYABQKNHMU-DLBZAZTESA-N 2 1 362.518 0.729 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978733 1207496156 /nfs/dbraw/zinc/49/61/56/1207496156.db2.gz DNXKIWAUDQBTNO-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978733 1207496161 /nfs/dbraw/zinc/49/61/61/1207496161.db2.gz DNXKIWAUDQBTNO-LSDHHAIUSA-N 2 1 367.494 0.097 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001189017979 1207496747 /nfs/dbraw/zinc/49/67/47/1207496747.db2.gz CHTLXOWAQAITAH-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001189017979 1207496749 /nfs/dbraw/zinc/49/67/49/1207496749.db2.gz CHTLXOWAQAITAH-ZWKOTPCHSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001189054586 1207498595 /nfs/dbraw/zinc/49/85/95/1207498595.db2.gz HCKJJVJUVJUGGG-OWCLPIDISA-N 2 1 362.474 0.941 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001189054586 1207498596 /nfs/dbraw/zinc/49/85/96/1207498596.db2.gz HCKJJVJUVJUGGG-OWCLPIDISA-N 2 1 362.474 0.941 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026091 1207500206 /nfs/dbraw/zinc/50/02/06/1207500206.db2.gz HVRKSNXZTPMGTN-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026091 1207500209 /nfs/dbraw/zinc/50/02/09/1207500209.db2.gz HVRKSNXZTPMGTN-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H](COCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001189182516 1207515494 /nfs/dbraw/zinc/51/54/94/1207515494.db2.gz XVOCIRSWKCACPU-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H](COCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001189182516 1207515499 /nfs/dbraw/zinc/51/54/99/1207515499.db2.gz XVOCIRSWKCACPU-YESZJQIVSA-N 2 1 366.506 0.108 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189794763 1207601487 /nfs/dbraw/zinc/60/14/87/1207601487.db2.gz WWCONLHLBJWVDE-DLBZAZTESA-N 2 1 362.474 0.701 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189794763 1207601496 /nfs/dbraw/zinc/60/14/96/1207601496.db2.gz WWCONLHLBJWVDE-DLBZAZTESA-N 2 1 362.474 0.701 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189793318 1207601646 /nfs/dbraw/zinc/60/16/46/1207601646.db2.gz AMGIKTUYXXLSEZ-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189793318 1207601650 /nfs/dbraw/zinc/60/16/50/1207601650.db2.gz AMGIKTUYXXLSEZ-DLBZAZTESA-N 2 1 366.506 0.014 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189794217 1207602372 /nfs/dbraw/zinc/60/23/72/1207602372.db2.gz QBDUNVKSNZMIOA-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001189794217 1207602380 /nfs/dbraw/zinc/60/23/80/1207602380.db2.gz QBDUNVKSNZMIOA-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001189820145 1207606395 /nfs/dbraw/zinc/60/63/95/1207606395.db2.gz RVAHIPITURFNTC-RCCFBDPRSA-N 2 1 369.506 0.293 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820192 1207606670 /nfs/dbraw/zinc/60/66/70/1207606670.db2.gz VJUYWSIXTBOYNI-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820192 1207606673 /nfs/dbraw/zinc/60/66/73/1207606673.db2.gz VJUYWSIXTBOYNI-IXDOHACOSA-N 2 1 368.522 0.258 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189870619 1207613624 /nfs/dbraw/zinc/61/36/24/1207613624.db2.gz BBKLFLRWLFIIRV-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001189870619 1207613630 /nfs/dbraw/zinc/61/36/30/1207613630.db2.gz BBKLFLRWLFIIRV-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872303 1207613867 /nfs/dbraw/zinc/61/38/67/1207613867.db2.gz YFXISXHEVSOTLW-DLBZAZTESA-N 2 1 367.538 0.959 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189881767 1207614676 /nfs/dbraw/zinc/61/46/76/1207614676.db2.gz WOZLORLAOKCJLY-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189881767 1207614681 /nfs/dbraw/zinc/61/46/81/1207614681.db2.gz WOZLORLAOKCJLY-DLBZAZTESA-N 2 1 368.522 0.404 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)CC3)CC2 ZINC001273589475 1207623899 /nfs/dbraw/zinc/62/38/99/1207623899.db2.gz KRWWYBVYWYTWAN-UHFFFAOYSA-N 2 1 362.518 0.875 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001190177856 1207658114 /nfs/dbraw/zinc/65/81/14/1207658114.db2.gz PDRVPNLSKNVREK-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001190177856 1207658123 /nfs/dbraw/zinc/65/81/23/1207658123.db2.gz PDRVPNLSKNVREK-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014972 1207816209 /nfs/dbraw/zinc/81/62/09/1207816209.db2.gz ZIYMOOUVWNBMIR-QRVBRYPASA-N 2 1 361.486 0.501 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001193456957 1207877089 /nfs/dbraw/zinc/87/70/89/1207877089.db2.gz ZVTFMMGMPLBHOZ-RCCFBDPRSA-N 2 1 367.465 0.907 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001193456957 1207877090 /nfs/dbraw/zinc/87/70/90/1207877090.db2.gz ZVTFMMGMPLBHOZ-RCCFBDPRSA-N 2 1 367.465 0.907 20 0 FCADMP C[C@H]1CCCCN1C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791703 1207889074 /nfs/dbraw/zinc/88/90/74/1207889074.db2.gz PDMHADYALRYOSQ-USXIJHARSA-N 2 1 366.506 0.033 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O)C1CC1 ZINC001193791643 1207889638 /nfs/dbraw/zinc/88/96/38/1207889638.db2.gz NVLKKXAQSCNMLN-KZNAEPCWSA-N 2 1 365.449 0.706 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O)C1CC1 ZINC001193791643 1207889641 /nfs/dbraw/zinc/88/96/41/1207889641.db2.gz NVLKKXAQSCNMLN-KZNAEPCWSA-N 2 1 365.449 0.706 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273666111 1207893949 /nfs/dbraw/zinc/89/39/49/1207893949.db2.gz GSDJNCJGDCEPJN-INIZCTEOSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001273666961 1207896431 /nfs/dbraw/zinc/89/64/31/1207896431.db2.gz XTQHGPXTMZVAIK-HGKCTWBKSA-N 2 1 364.534 0.975 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O)[NH+](C)C ZINC001194103371 1207919494 /nfs/dbraw/zinc/91/94/94/1207919494.db2.gz YVQORFOLBRLKRF-KZNAEPCWSA-N 2 1 361.486 0.666 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001194264553 1207928540 /nfs/dbraw/zinc/92/85/40/1207928540.db2.gz AZVMJDFVCXUPMP-GVDBMIGSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001194264553 1207928543 /nfs/dbraw/zinc/92/85/43/1207928543.db2.gz AZVMJDFVCXUPMP-GVDBMIGSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001194264553 1207928545 /nfs/dbraw/zinc/92/85/45/1207928545.db2.gz AZVMJDFVCXUPMP-GVDBMIGSSA-N 2 1 371.522 0.464 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001194264553 1207928547 /nfs/dbraw/zinc/92/85/47/1207928547.db2.gz AZVMJDFVCXUPMP-GVDBMIGSSA-N 2 1 371.522 0.464 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001195702118 1208036165 /nfs/dbraw/zinc/03/61/65/1208036165.db2.gz YWZRLMHMLPFIEZ-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001195702118 1208036168 /nfs/dbraw/zinc/03/61/68/1208036168.db2.gz YWZRLMHMLPFIEZ-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1O ZINC001195859983 1208041746 /nfs/dbraw/zinc/04/17/46/1208041746.db2.gz QLEJWUOLEATYCE-IAGOWNOFSA-N 2 1 358.442 0.955 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1O ZINC001195859983 1208041749 /nfs/dbraw/zinc/04/17/49/1208041749.db2.gz QLEJWUOLEATYCE-IAGOWNOFSA-N 2 1 358.442 0.955 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCN([C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001195900656 1208044732 /nfs/dbraw/zinc/04/47/32/1208044732.db2.gz OPMCFSSSOVNEKZ-SOUVJXGZSA-N 2 1 367.494 0.095 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O)[NH+](C)C ZINC001195972608 1208048616 /nfs/dbraw/zinc/04/86/16/1208048616.db2.gz GLNCOLRTAOBGOE-GUDVDZBRSA-N 2 1 361.486 0.964 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123476 1208059529 /nfs/dbraw/zinc/05/95/29/1208059529.db2.gz SGEFWHKNIRQKDT-KZNAEPCWSA-N 2 1 365.522 0.727 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196123476 1208059532 /nfs/dbraw/zinc/05/95/32/1208059532.db2.gz SGEFWHKNIRQKDT-KZNAEPCWSA-N 2 1 365.522 0.727 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001196926406 1208119144 /nfs/dbraw/zinc/11/91/44/1208119144.db2.gz XUAYNQJOYRARMY-QZTJIDSGSA-N 2 1 364.490 0.950 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001196926406 1208119148 /nfs/dbraw/zinc/11/91/48/1208119148.db2.gz XUAYNQJOYRARMY-QZTJIDSGSA-N 2 1 364.490 0.950 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940988 1208124216 /nfs/dbraw/zinc/12/42/16/1208124216.db2.gz ZFPWPHDEPXYCMB-QZTJIDSGSA-N 2 1 371.522 0.467 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940988 1208124219 /nfs/dbraw/zinc/12/42/19/1208124219.db2.gz ZFPWPHDEPXYCMB-QZTJIDSGSA-N 2 1 371.522 0.467 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536225 1208170781 /nfs/dbraw/zinc/17/07/81/1208170781.db2.gz PIXFFGFIVKVFIP-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536225 1208170786 /nfs/dbraw/zinc/17/07/86/1208170786.db2.gz PIXFFGFIVKVFIP-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536225 1208170788 /nfs/dbraw/zinc/17/07/88/1208170788.db2.gz PIXFFGFIVKVFIP-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001197536225 1208170791 /nfs/dbraw/zinc/17/07/91/1208170791.db2.gz PIXFFGFIVKVFIP-ARFHVFGLSA-N 2 1 363.458 0.330 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCOc2cccc(OC)c2)C[C@H]1O ZINC001198029143 1208215487 /nfs/dbraw/zinc/21/54/87/1208215487.db2.gz OALUPQYYMYNTGO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001198029143 1208215489 /nfs/dbraw/zinc/21/54/89/1208215489.db2.gz OALUPQYYMYNTGO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001198029143 1208215490 /nfs/dbraw/zinc/21/54/90/1208215490.db2.gz OALUPQYYMYNTGO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@H]1O ZINC001198029143 1208215492 /nfs/dbraw/zinc/21/54/92/1208215492.db2.gz OALUPQYYMYNTGO-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001198028740 1208215585 /nfs/dbraw/zinc/21/55/85/1208215585.db2.gz HLSRKZZETLZXOG-HZPDHXFCSA-N 2 1 363.458 0.461 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038861 1208216646 /nfs/dbraw/zinc/21/66/46/1208216646.db2.gz VZNPJPLSRKFYBL-BRWVUGGUSA-N 2 1 368.522 0.281 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057980 1208314877 /nfs/dbraw/zinc/31/48/77/1208314877.db2.gz ZAGPZTFVPNHPIF-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057980 1208314880 /nfs/dbraw/zinc/31/48/80/1208314880.db2.gz ZAGPZTFVPNHPIF-BRWVUGGUSA-N 2 1 368.522 0.279 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001199349224 1208339613 /nfs/dbraw/zinc/33/96/13/1208339613.db2.gz LXSFOVYCRQILIT-UHFFFAOYSA-N 2 1 370.457 0.453 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001199370156 1208343537 /nfs/dbraw/zinc/34/35/37/1208343537.db2.gz MQANRTXNKMWEAN-IAGOWNOFSA-N 2 1 366.506 0.036 20 0 FCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001199370156 1208343543 /nfs/dbraw/zinc/34/35/43/1208343543.db2.gz MQANRTXNKMWEAN-IAGOWNOFSA-N 2 1 366.506 0.036 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370206 1208343993 /nfs/dbraw/zinc/34/39/93/1208343993.db2.gz OEIPOVSGBKYZFN-IXDOHACOSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370206 1208343996 /nfs/dbraw/zinc/34/39/96/1208343996.db2.gz OEIPOVSGBKYZFN-IXDOHACOSA-N 2 1 368.522 0.458 20 0 FCADMP COc1cccc([C@H](C)[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220764585 1225060763 /nfs/dbraw/zinc/06/07/63/1225060763.db2.gz PKOFAWQCJZZTOD-QGTPRVQTSA-N 2 1 365.474 0.496 20 0 FCADMP COc1cccc([C@H](C)[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220764585 1225060771 /nfs/dbraw/zinc/06/07/71/1225060771.db2.gz PKOFAWQCJZZTOD-QGTPRVQTSA-N 2 1 365.474 0.496 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@]2(C1)C[N@H+](CCn1ccnc1)CCO2 ZINC001273855916 1208434506 /nfs/dbraw/zinc/43/45/06/1208434506.db2.gz YYVUQMJPOPNGRP-IBGZPJMESA-N 2 1 363.506 0.918 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC[C@@]2(C1)C[N@@H+](CCn1ccnc1)CCO2 ZINC001273855916 1208434507 /nfs/dbraw/zinc/43/45/07/1208434507.db2.gz YYVUQMJPOPNGRP-IBGZPJMESA-N 2 1 363.506 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC2CCC2)CC[N@H+]1C ZINC001110575686 1208482507 /nfs/dbraw/zinc/48/25/07/1208482507.db2.gz ZJLKZHNRNGWPSC-FGTAOJJYSA-N 2 1 362.518 0.964 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576740 1208484980 /nfs/dbraw/zinc/48/49/80/1208484980.db2.gz ZHDCDJBNSIDGKW-FGTAOJJYSA-N 2 1 366.506 0.201 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576740 1208484983 /nfs/dbraw/zinc/48/49/83/1208484983.db2.gz ZHDCDJBNSIDGKW-FGTAOJJYSA-N 2 1 366.506 0.201 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576740 1208484986 /nfs/dbraw/zinc/48/49/86/1208484986.db2.gz ZHDCDJBNSIDGKW-FGTAOJJYSA-N 2 1 366.506 0.201 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489207278 1208671236 /nfs/dbraw/zinc/67/12/36/1208671236.db2.gz SWRAPAPXDQSLHB-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489207278 1208671242 /nfs/dbraw/zinc/67/12/42/1208671242.db2.gz SWRAPAPXDQSLHB-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489207278 1208671249 /nfs/dbraw/zinc/67/12/49/1208671249.db2.gz SWRAPAPXDQSLHB-CVEARBPZSA-N 2 1 351.495 0.134 20 0 FCADMP CCOC(=O)C1=C(NC(=O)C2([NH3+])CCN(Cc3ccccc3)CC2)C[NH2+]C1 ZINC001220828820 1225092231 /nfs/dbraw/zinc/09/22/31/1225092231.db2.gz URSXYUGNPAZKNT-UHFFFAOYSA-N 2 1 372.469 0.517 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC ZINC001489534516 1208895923 /nfs/dbraw/zinc/89/59/23/1208895923.db2.gz DAXKQEVYUIWZPI-IAGOWNOFSA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)C1(CC(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)CCCC1 ZINC001489610124 1208971595 /nfs/dbraw/zinc/97/15/95/1208971595.db2.gz ULESUTYBSAUGMT-OAGGEKHMSA-N 2 1 366.506 0.033 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110615297 1209407178 /nfs/dbraw/zinc/40/71/78/1209407178.db2.gz MUYSWDKOYKKTST-QXSJWSMHSA-N 2 1 369.485 0.413 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110615297 1209407180 /nfs/dbraw/zinc/40/71/80/1209407180.db2.gz MUYSWDKOYKKTST-QXSJWSMHSA-N 2 1 369.485 0.413 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747461 1209792149 /nfs/dbraw/zinc/79/21/49/1209792149.db2.gz ROMBEYUGAMYEOV-DZUCGIPZSA-N 2 1 359.474 0.764 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747461 1209792152 /nfs/dbraw/zinc/79/21/52/1209792152.db2.gz ROMBEYUGAMYEOV-DZUCGIPZSA-N 2 1 359.474 0.764 20 0 FCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859642287 1209826883 /nfs/dbraw/zinc/82/68/83/1209826883.db2.gz QBDXHXMRGMRPQK-ZDUSSCGKSA-N 2 1 363.462 0.894 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001110796453 1209863995 /nfs/dbraw/zinc/86/39/95/1209863995.db2.gz MBOPLJOYLDWZSD-NXHRZFHOSA-N 2 1 371.441 0.611 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861573674 1209871697 /nfs/dbraw/zinc/87/16/97/1209871697.db2.gz JLXKVNKQAXUCCE-RCCFBDPRSA-N 2 1 366.506 0.650 20 0 FCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683827 1209874297 /nfs/dbraw/zinc/87/42/97/1209874297.db2.gz BDKPTBRHEQJOAA-IEBWSBKVSA-N 2 1 362.474 0.253 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)oc1C ZINC000861731993 1209877821 /nfs/dbraw/zinc/87/78/21/1209877821.db2.gz WLTMDENTLINRCL-LBPRGKRZSA-N 2 1 365.478 0.425 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000861740464 1209878490 /nfs/dbraw/zinc/87/84/90/1209878490.db2.gz RBKPJORZGNBNSH-HUUCEWRRSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000861740464 1209878491 /nfs/dbraw/zinc/87/84/91/1209878491.db2.gz RBKPJORZGNBNSH-HUUCEWRRSA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000861759304 1209880179 /nfs/dbraw/zinc/88/01/79/1209880179.db2.gz JKQMCWLQJVAWCY-JKSUJKDBSA-N 2 1 361.490 0.119 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975941 1225169814 /nfs/dbraw/zinc/16/98/14/1225169814.db2.gz BRQZGVNVXUZSPC-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975941 1225169818 /nfs/dbraw/zinc/16/98/18/1225169818.db2.gz BRQZGVNVXUZSPC-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975941 1225169827 /nfs/dbraw/zinc/16/98/27/1225169827.db2.gz BRQZGVNVXUZSPC-QRVBRYPASA-N 2 1 361.486 0.706 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110816894 1209910293 /nfs/dbraw/zinc/91/02/93/1209910293.db2.gz CPBBBPAYGWTDDX-ZACQAIPSSA-N 2 1 363.462 0.066 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110816894 1209910298 /nfs/dbraw/zinc/91/02/98/1209910298.db2.gz CPBBBPAYGWTDDX-ZACQAIPSSA-N 2 1 363.462 0.066 20 0 FCADMP O=C1COC[C@]2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)COCCN12 ZINC000865799777 1209985946 /nfs/dbraw/zinc/98/59/46/1209985946.db2.gz DEFFTMIZRDBIEV-FQEVSTJZSA-N 2 1 359.470 0.868 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000866044137 1209990162 /nfs/dbraw/zinc/99/01/62/1209990162.db2.gz PCXOQWGFQWGGNC-OEXSFMSHSA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000866044137 1209990166 /nfs/dbraw/zinc/99/01/66/1209990166.db2.gz PCXOQWGFQWGGNC-OEXSFMSHSA-N 2 1 370.513 0.922 20 0 FCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](F)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000866044137 1209990170 /nfs/dbraw/zinc/99/01/70/1209990170.db2.gz PCXOQWGFQWGGNC-OEXSFMSHSA-N 2 1 370.513 0.922 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875168484 1210346254 /nfs/dbraw/zinc/34/62/54/1210346254.db2.gz WOJXZNIVCCGGNR-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000888680435 1210393288 /nfs/dbraw/zinc/39/32/88/1210393288.db2.gz KOBNEDHHRCSADS-RHSMWYFYSA-N 2 1 359.474 0.935 20 0 FCADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000888680435 1210393291 /nfs/dbraw/zinc/39/32/91/1210393291.db2.gz KOBNEDHHRCSADS-RHSMWYFYSA-N 2 1 359.474 0.935 20 0 FCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073226 1225210058 /nfs/dbraw/zinc/21/00/58/1225210058.db2.gz LQENEDSLWBKIGF-KURKYZTESA-N 2 1 371.522 0.057 20 0 FCADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC000883112887 1210653091 /nfs/dbraw/zinc/65/30/91/1210653091.db2.gz BONCSJAQEYLGTC-MRXNPFEDSA-N 2 1 374.489 0.466 20 0 FCADMP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883333038 1210662828 /nfs/dbraw/zinc/66/28/28/1210662828.db2.gz JXJHHJCULSCSNH-SFHVURJKSA-N 2 1 367.538 0.424 20 0 FCADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCC2)N1CCN(c2ncccn2)CC1 ZINC000883458521 1210669213 /nfs/dbraw/zinc/66/92/13/1210669213.db2.gz MYTJNWUTVMPIGJ-UHFFFAOYSA-N 2 1 358.490 0.733 20 0 FCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883605318 1210673874 /nfs/dbraw/zinc/67/38/74/1210673874.db2.gz RYEHKWLTJRRGNZ-SJLPKXTDSA-N 2 1 371.485 0.778 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883611511 1210675234 /nfs/dbraw/zinc/67/52/34/1210675234.db2.gz AJBNIYOPUTYXQC-RHSMWYFYSA-N 2 1 359.474 0.715 20 0 FCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884220114 1210723934 /nfs/dbraw/zinc/72/39/34/1210723934.db2.gz GUJXZYVKOGKIMN-MSOLQXFVSA-N 2 1 373.501 0.864 20 0 FCADMP C[NH2+]CCOc1cccc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000884315952 1210730196 /nfs/dbraw/zinc/73/01/96/1210730196.db2.gz FZYKALNFSXULFC-HNNXBMFYSA-N 2 1 363.458 0.994 20 0 FCADMP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389547 1210732768 /nfs/dbraw/zinc/73/27/68/1210732768.db2.gz AFQJIBBNAPDIAA-HRCADAONSA-N 2 1 361.490 0.719 20 0 FCADMP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389547 1210732772 /nfs/dbraw/zinc/73/27/72/1210732772.db2.gz AFQJIBBNAPDIAA-HRCADAONSA-N 2 1 361.490 0.719 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000884503465 1210740236 /nfs/dbraw/zinc/74/02/36/1210740236.db2.gz LZLPSKMROZPVNA-BPQIPLTHSA-N 2 1 358.486 0.615 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000884504042 1210740293 /nfs/dbraw/zinc/74/02/93/1210740293.db2.gz ZQAPDVXKZLASPF-BHIYHBOVSA-N 2 1 372.513 0.720 20 0 FCADMP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000884504020 1210740571 /nfs/dbraw/zinc/74/05/71/1210740571.db2.gz ZEEFKJSQUHZDMF-KRWDZBQOSA-N 2 1 360.502 0.911 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000884507913 1210740974 /nfs/dbraw/zinc/74/09/74/1210740974.db2.gz PPOWACPVHNCVPO-RIFZZMRRSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000884522975 1210744492 /nfs/dbraw/zinc/74/44/92/1210744492.db2.gz MTQAKZWNMBBNGL-MNEFBYGVSA-N 2 1 370.497 0.902 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000884522975 1210744506 /nfs/dbraw/zinc/74/45/06/1210744506.db2.gz MTQAKZWNMBBNGL-MNEFBYGVSA-N 2 1 370.497 0.902 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cn1 ZINC000884556825 1210749832 /nfs/dbraw/zinc/74/98/32/1210749832.db2.gz AAIJCQZXVKQOMM-JKSUJKDBSA-N 2 1 368.441 0.545 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000884559707 1210750907 /nfs/dbraw/zinc/75/09/07/1210750907.db2.gz BNYSMWWRBORMJS-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000884559707 1210750909 /nfs/dbraw/zinc/75/09/09/1210750909.db2.gz BNYSMWWRBORMJS-SFHVURJKSA-N 2 1 358.486 0.891 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884571961 1210754676 /nfs/dbraw/zinc/75/46/76/1210754676.db2.gz BTMPNXYBBNJMMV-WZGPROSRSA-N 2 1 370.497 0.976 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000884576919 1210755549 /nfs/dbraw/zinc/75/55/49/1210755549.db2.gz TUFQNBHVIRSFCP-MAUKXSAKSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884589156 1210757955 /nfs/dbraw/zinc/75/79/55/1210757955.db2.gz UYZGPKCKXRNFCL-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884589156 1210757958 /nfs/dbraw/zinc/75/79/58/1210757958.db2.gz UYZGPKCKXRNFCL-KBAYOESNSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000884599725 1210758845 /nfs/dbraw/zinc/75/88/45/1210758845.db2.gz JLNBGIFNJRKEMX-BRWVUGGUSA-N 2 1 373.501 0.261 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000884604763 1210760862 /nfs/dbraw/zinc/76/08/62/1210760862.db2.gz OHIIAUAGZYBFBT-BPQIPLTHSA-N 2 1 358.486 0.834 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616985 1210763734 /nfs/dbraw/zinc/76/37/34/1210763734.db2.gz FULRSSNUCJSOGK-JKSUJKDBSA-N 2 1 366.506 0.252 20 0 FCADMP [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000884626797 1210766175 /nfs/dbraw/zinc/76/61/75/1210766175.db2.gz VINWIHDHHYCHRD-KZNAEPCWSA-N 2 1 358.486 0.806 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@H+]1Cc1ccccc1 ZINC000884646577 1210772160 /nfs/dbraw/zinc/77/21/60/1210772160.db2.gz XLFYBALDTLBVLY-CNTRQJEFSA-N 2 1 370.497 0.834 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000884649449 1210772199 /nfs/dbraw/zinc/77/21/99/1210772199.db2.gz DBHWCFAHZYHQIN-IEBWSBKVSA-N 2 1 370.497 0.950 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@H+]1Cc1ccccc1 ZINC000884646580 1210772281 /nfs/dbraw/zinc/77/22/81/1210772281.db2.gz XLFYBALDTLBVLY-QUJKESNLSA-N 2 1 370.497 0.834 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884674407 1210776899 /nfs/dbraw/zinc/77/68/99/1210776899.db2.gz VEAIUTYOFXODOP-NXHRZFHOSA-N 2 1 358.486 0.739 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000884681717 1210779037 /nfs/dbraw/zinc/77/90/37/1210779037.db2.gz DIUZEHMMBNKTNW-ROUUACIJSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000884694349 1210783203 /nfs/dbraw/zinc/78/32/03/1210783203.db2.gz JXPOIRBRXKRTGG-ZWKOTPCHSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000884718191 1210787654 /nfs/dbraw/zinc/78/76/54/1210787654.db2.gz WVSRWQBOWMWAPY-NXHRZFHOSA-N 2 1 358.486 0.942 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721119 1210789068 /nfs/dbraw/zinc/78/90/68/1210789068.db2.gz AUSFCQOSGKSLCM-QFBILLFUSA-N 2 1 370.497 0.907 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884833037 1210799797 /nfs/dbraw/zinc/79/97/97/1210799797.db2.gz FIKFFAQDCCXLMM-XTIMDLJNSA-N 2 1 370.497 0.820 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884850758 1210801501 /nfs/dbraw/zinc/80/15/01/1210801501.db2.gz AAWQRIMKNFALPP-HKUYNNGSSA-N 2 1 370.497 0.891 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000884881903 1210802617 /nfs/dbraw/zinc/80/26/17/1210802617.db2.gz MAENFBUOIGESBW-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000884881903 1210802619 /nfs/dbraw/zinc/80/26/19/1210802619.db2.gz MAENFBUOIGESBW-HUUCEWRRSA-N 2 1 368.522 0.184 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884891827 1210803371 /nfs/dbraw/zinc/80/33/71/1210803371.db2.gz OISZQCPCURFZIH-NJAFHUGGSA-N 2 1 360.502 0.861 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000884982634 1210806409 /nfs/dbraw/zinc/80/64/09/1210806409.db2.gz GXTYIBDYDFBRME-QZTJIDSGSA-N 2 1 374.485 0.262 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000884982907 1210806455 /nfs/dbraw/zinc/80/64/55/1210806455.db2.gz LKLZHGLWZFMMFJ-NJAFHUGGSA-N 2 1 374.485 0.260 20 0 FCADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000884983731 1210807171 /nfs/dbraw/zinc/80/71/71/1210807171.db2.gz UZEGJICYHFQLGB-QGZVFWFLSA-N 2 1 358.486 0.896 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000884984176 1210807207 /nfs/dbraw/zinc/80/72/07/1210807207.db2.gz RMXQJLLWIUJRIA-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000884984176 1210807208 /nfs/dbraw/zinc/80/72/08/1210807208.db2.gz RMXQJLLWIUJRIA-NVXWUHKLSA-N 2 1 362.474 0.118 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000885153878 1210813148 /nfs/dbraw/zinc/81/31/48/1210813148.db2.gz MTIFQMFPZBYGHJ-QAPCUYQASA-N 2 1 358.486 0.665 20 0 FCADMP COC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCOC1 ZINC000886904125 1210839788 /nfs/dbraw/zinc/83/97/88/1210839788.db2.gz PFBQHFSKDPZXLX-BZSNNMDCSA-N 2 1 371.522 0.491 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154302 1225242806 /nfs/dbraw/zinc/24/28/06/1225242806.db2.gz KTJZEIFJGZSVPV-MSOLQXFVSA-N 2 1 363.506 0.390 20 0 FCADMP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000887064184 1210844454 /nfs/dbraw/zinc/84/44/54/1210844454.db2.gz BRVBYJJXSFCBFU-RDGPPVDQSA-N 2 1 368.481 0.540 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131473 1210849093 /nfs/dbraw/zinc/84/90/93/1210849093.db2.gz YJOBTBOMJBRZGJ-CABCVRRESA-N 2 1 359.474 0.705 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131473 1210849096 /nfs/dbraw/zinc/84/90/96/1210849096.db2.gz YJOBTBOMJBRZGJ-CABCVRRESA-N 2 1 359.474 0.705 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133298 1210849518 /nfs/dbraw/zinc/84/95/18/1210849518.db2.gz YEJKLHNWKUYVEX-BZUAXINKSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133298 1210849519 /nfs/dbraw/zinc/84/95/19/1210849519.db2.gz YEJKLHNWKUYVEX-BZUAXINKSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133299 1210849691 /nfs/dbraw/zinc/84/96/91/1210849691.db2.gz YEJKLHNWKUYVEX-OAGGEKHMSA-N 2 1 359.474 0.705 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133299 1210849692 /nfs/dbraw/zinc/84/96/92/1210849692.db2.gz YEJKLHNWKUYVEX-OAGGEKHMSA-N 2 1 359.474 0.705 20 0 FCADMP [NH3+][C@H]1CCCN(Cc2cn(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)C1 ZINC000887451470 1210858630 /nfs/dbraw/zinc/85/86/30/1210858630.db2.gz NHTFQVVDSPNLPL-ICSRJNTNSA-N 2 1 370.501 0.838 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158609 1225244171 /nfs/dbraw/zinc/24/41/71/1225244171.db2.gz OEIPOVSGBKYZFN-IKGGRYGDSA-N 2 1 368.522 0.458 20 0 FCADMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158609 1225244177 /nfs/dbraw/zinc/24/41/77/1225244177.db2.gz OEIPOVSGBKYZFN-IKGGRYGDSA-N 2 1 368.522 0.458 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)NC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)C1 ZINC001274084350 1210876061 /nfs/dbraw/zinc/87/60/61/1210876061.db2.gz TYXIYSUYCRMRKZ-VMEOHVCESA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000887632302 1210883936 /nfs/dbraw/zinc/88/39/36/1210883936.db2.gz KBAHBUJXRVNGPC-JKSUJKDBSA-N 2 1 369.510 0.105 20 0 FCADMP CC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001274179513 1210904858 /nfs/dbraw/zinc/90/48/58/1210904858.db2.gz NXZVFHNXQTYYSZ-RZQQEMMASA-N 2 1 362.518 0.777 20 0 FCADMP Cc1cc(C[N@H+]2CCC3(CN(C(=O)C4(O)CC[NH+](C)CC4)C3)C2)n(C)n1 ZINC001274203644 1210911710 /nfs/dbraw/zinc/91/17/10/1210911710.db2.gz NVSGHCPHLRSBEN-UHFFFAOYSA-N 2 1 361.490 0.220 20 0 FCADMP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000890069682 1210962898 /nfs/dbraw/zinc/96/28/98/1210962898.db2.gz JPGMZILJKRLXAG-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000890069682 1210962900 /nfs/dbraw/zinc/96/29/00/1210962900.db2.gz JPGMZILJKRLXAG-KRWDZBQOSA-N 2 1 365.522 0.666 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000890134544 1210967072 /nfs/dbraw/zinc/96/70/72/1210967072.db2.gz ZVHATPZGCRWEIH-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890134544 1210967078 /nfs/dbraw/zinc/96/70/78/1210967078.db2.gz ZVHATPZGCRWEIH-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134544 1210967084 /nfs/dbraw/zinc/96/70/84/1210967084.db2.gz ZVHATPZGCRWEIH-MSOLQXFVSA-N 2 1 367.538 0.519 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890142624 1210969612 /nfs/dbraw/zinc/96/96/12/1210969612.db2.gz CWQZDDVWJMPSFL-SFHVURJKSA-N 2 1 367.538 0.519 20 0 FCADMP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831027 1210987036 /nfs/dbraw/zinc/98/70/36/1210987036.db2.gz PLFYVNFEMCOTLB-COXLTSFISA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831027 1210987038 /nfs/dbraw/zinc/98/70/38/1210987038.db2.gz PLFYVNFEMCOTLB-COXLTSFISA-N 2 1 363.502 0.998 20 0 FCADMP COCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831027 1210987040 /nfs/dbraw/zinc/98/70/40/1210987040.db2.gz PLFYVNFEMCOTLB-COXLTSFISA-N 2 1 363.502 0.998 20 0 FCADMP CC[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCn2ccnc2)C3)CC1 ZINC001274369583 1211038183 /nfs/dbraw/zinc/03/81/83/1211038183.db2.gz INDWCADCNIOGGM-UHFFFAOYSA-N 2 1 360.506 0.055 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221190476 1225262292 /nfs/dbraw/zinc/26/22/92/1225262292.db2.gz OYHAVCUPFHHSGR-SJORKVTESA-N 3 1 374.485 0.105 20 0 FCADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221190476 1225262297 /nfs/dbraw/zinc/26/22/97/1225262297.db2.gz OYHAVCUPFHHSGR-SJORKVTESA-N 3 1 374.485 0.105 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143004 1211179164 /nfs/dbraw/zinc/17/91/64/1211179164.db2.gz QLKNPXQSKTYUNN-ICSRJNTNSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143004 1211179168 /nfs/dbraw/zinc/17/91/68/1211179168.db2.gz QLKNPXQSKTYUNN-ICSRJNTNSA-N 2 1 364.534 0.585 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143004 1211179172 /nfs/dbraw/zinc/17/91/72/1211179172.db2.gz QLKNPXQSKTYUNN-ICSRJNTNSA-N 2 1 364.534 0.585 20 0 FCADMP C[NH+](C)CCN1CCC2(CC[NH+](Cc3cn4c(n3)COCC4)CC2)C1=O ZINC001275147545 1211180045 /nfs/dbraw/zinc/18/00/45/1211180045.db2.gz CUPUYBKLZUTFCX-UHFFFAOYSA-N 2 1 361.490 0.789 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172602 1211188583 /nfs/dbraw/zinc/18/85/83/1211188583.db2.gz ZWPFSMMYMWEVDB-IEBWSBKVSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172602 1211188587 /nfs/dbraw/zinc/18/85/87/1211188587.db2.gz ZWPFSMMYMWEVDB-IEBWSBKVSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172602 1211188589 /nfs/dbraw/zinc/18/85/89/1211188589.db2.gz ZWPFSMMYMWEVDB-IEBWSBKVSA-N 2 1 360.506 0.470 20 0 FCADMP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275176153 1211189680 /nfs/dbraw/zinc/18/96/80/1211189680.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275176153 1211189683 /nfs/dbraw/zinc/18/96/83/1211189683.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 2 1 365.566 0.498 20 0 FCADMP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275176153 1211189686 /nfs/dbraw/zinc/18/96/86/1211189686.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 2 1 365.566 0.498 20 0 FCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286686898 1211204022 /nfs/dbraw/zinc/20/40/22/1211204022.db2.gz BWHKAQHZVZNUTD-ZDUSSCGKSA-N 2 1 364.494 0.291 20 0 FCADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275325814 1211215299 /nfs/dbraw/zinc/21/52/99/1211215299.db2.gz REVNJMKMANAWFH-QWFCFKBJSA-N 2 1 364.534 0.583 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@@]3(CCN(CCn4ccnc4)C3=O)C2)cn1 ZINC001275365887 1211223698 /nfs/dbraw/zinc/22/36/98/1211223698.db2.gz QUQHOAAAALAJNM-GOSISDBHSA-N 2 1 356.430 0.806 20 0 FCADMP COc1ncccc1C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275378694 1211225668 /nfs/dbraw/zinc/22/56/68/1211225668.db2.gz BQQCHVIQEVNBPY-LJQANCHMSA-N 2 1 360.458 0.993 20 0 FCADMP COC(CN1C(=O)C[C@@]2(CCCN(Cc3cnc(C)n3C)C2)C1=O)OC ZINC001275392948 1211230184 /nfs/dbraw/zinc/23/01/84/1211230184.db2.gz XCYGXYNGQUYTHX-GOSISDBHSA-N 2 1 364.446 0.689 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275443356 1211238701 /nfs/dbraw/zinc/23/87/01/1211238701.db2.gz QASDKNOGZYMHOS-LJQANCHMSA-N 2 1 359.474 0.787 20 0 FCADMP CCN(CC)C(=O)CN1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275443356 1211238703 /nfs/dbraw/zinc/23/87/03/1211238703.db2.gz QASDKNOGZYMHOS-LJQANCHMSA-N 2 1 359.474 0.787 20 0 FCADMP COc1ncc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1C ZINC001275494754 1211250934 /nfs/dbraw/zinc/25/09/34/1211250934.db2.gz BARCLZAXGXZZDX-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP COc1ncc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1C ZINC001275494754 1211250938 /nfs/dbraw/zinc/25/09/38/1211250938.db2.gz BARCLZAXGXZZDX-LJQANCHMSA-N 2 1 362.474 0.764 20 0 FCADMP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275500843 1211251262 /nfs/dbraw/zinc/25/12/62/1211251262.db2.gz SJYBQXAZLWXXCN-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275500843 1211251264 /nfs/dbraw/zinc/25/12/64/1211251264.db2.gz SJYBQXAZLWXXCN-IBGZPJMESA-N 2 1 362.474 0.703 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507990 1211251912 /nfs/dbraw/zinc/25/19/12/1211251912.db2.gz NDYWXSNEFGARTR-HNAYVOBHSA-N 2 1 368.522 0.389 20 0 FCADMP CC[C@@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507990 1211251915 /nfs/dbraw/zinc/25/19/15/1211251915.db2.gz NDYWXSNEFGARTR-HNAYVOBHSA-N 2 1 368.522 0.389 20 0 FCADMP CC(C)OC(=O)CN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507720 1211251936 /nfs/dbraw/zinc/25/19/36/1211251936.db2.gz HVONGICDMNJVAX-LJQANCHMSA-N 2 1 369.506 0.829 20 0 FCADMP CC(C)OC(=O)CN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507720 1211251938 /nfs/dbraw/zinc/25/19/38/1211251938.db2.gz HVONGICDMNJVAX-LJQANCHMSA-N 2 1 369.506 0.829 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507510 1211252116 /nfs/dbraw/zinc/25/21/16/1211252116.db2.gz CWEJUWJCMZGKNX-IBGZPJMESA-N 2 1 368.522 0.261 20 0 FCADMP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507510 1211252119 /nfs/dbraw/zinc/25/21/19/1211252119.db2.gz CWEJUWJCMZGKNX-IBGZPJMESA-N 2 1 368.522 0.261 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507361 1211252135 /nfs/dbraw/zinc/25/21/35/1211252135.db2.gz ATTANSZIQDPKDW-HNAYVOBHSA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001275507361 1211252138 /nfs/dbraw/zinc/25/21/38/1211252138.db2.gz ATTANSZIQDPKDW-HNAYVOBHSA-N 2 1 369.506 0.829 20 0 FCADMP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001275556449 1211256577 /nfs/dbraw/zinc/25/65/77/1211256577.db2.gz KYHOOCXWKPPONJ-BRWVUGGUSA-N 2 1 367.490 0.582 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275556955 1211256587 /nfs/dbraw/zinc/25/65/87/1211256587.db2.gz QXHKOCVEHTZZLP-LPHOPBHVSA-N 2 1 367.490 0.583 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)CC1 ZINC001275555459 1211256908 /nfs/dbraw/zinc/25/69/08/1211256908.db2.gz BLJGNVHOQBXOPA-RTBURBONSA-N 2 1 364.534 0.726 20 0 FCADMP COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275557088 1211257102 /nfs/dbraw/zinc/25/71/02/1211257102.db2.gz UXCBXXPZBQHKOQ-QFBILLFUSA-N 2 1 367.490 0.441 20 0 FCADMP CCCn1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275632072 1211265767 /nfs/dbraw/zinc/26/57/67/1211265767.db2.gz WURQLJUVLFTEFR-LJQANCHMSA-N 2 1 363.506 0.906 20 0 FCADMP CCCn1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275632072 1211265768 /nfs/dbraw/zinc/26/57/68/1211265768.db2.gz WURQLJUVLFTEFR-LJQANCHMSA-N 2 1 363.506 0.906 20 0 FCADMP COc1cc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)ccc1O ZINC001275641224 1211267470 /nfs/dbraw/zinc/26/74/70/1211267470.db2.gz FWUURVYYIYFFCO-IBGZPJMESA-N 2 1 363.458 0.766 20 0 FCADMP O=C1C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1ccnc1 ZINC001275738217 1211279133 /nfs/dbraw/zinc/27/91/33/1211279133.db2.gz VWOTWCZSPCHGHE-IBGZPJMESA-N 3 1 359.474 0.724 20 0 FCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275800890 1211285701 /nfs/dbraw/zinc/28/57/01/1211285701.db2.gz JJIOPKFEDRSEGK-PKOBYXMFSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275800890 1211285704 /nfs/dbraw/zinc/28/57/04/1211285704.db2.gz JJIOPKFEDRSEGK-PKOBYXMFSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275800890 1211285707 /nfs/dbraw/zinc/28/57/07/1211285707.db2.gz JJIOPKFEDRSEGK-PKOBYXMFSA-N 2 1 361.490 0.264 20 0 FCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275800890 1211285711 /nfs/dbraw/zinc/28/57/11/1211285711.db2.gz JJIOPKFEDRSEGK-PKOBYXMFSA-N 2 1 361.490 0.264 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C4CC[NH+](C5CC5)CC4)CC3)[C@@H]2C1 ZINC001275856979 1211298830 /nfs/dbraw/zinc/29/88/30/1211298830.db2.gz PEDYOLHXYPVHAW-IAGOWNOFSA-N 2 1 360.502 0.530 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[NH+](C[C@@H]4CCC[N@@H+](C)C4)C3)OCC2=O)n1 ZINC001275877574 1211303964 /nfs/dbraw/zinc/30/39/64/1211303964.db2.gz BYRYLTQFNRKNOV-QAPCUYQASA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[NH+](C[C@@H]4CCC[N@H+](C)C4)C3)OCC2=O)n1 ZINC001275877574 1211303967 /nfs/dbraw/zinc/30/39/67/1211303967.db2.gz BYRYLTQFNRKNOV-QAPCUYQASA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[N@@H+](C[C@@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877574 1211303972 /nfs/dbraw/zinc/30/39/72/1211303972.db2.gz BYRYLTQFNRKNOV-QAPCUYQASA-N 2 1 363.462 0.523 20 0 FCADMP Cc1noc(CN2C[C@@]3(CC[N@H+](C[C@@H]4CCC[NH+](C)C4)C3)OCC2=O)n1 ZINC001275877574 1211303975 /nfs/dbraw/zinc/30/39/75/1211303975.db2.gz BYRYLTQFNRKNOV-QAPCUYQASA-N 2 1 363.462 0.523 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN(CC(OC)OC)C(=O)CO3)CC1 ZINC001275877590 1211304012 /nfs/dbraw/zinc/30/40/12/1211304012.db2.gz DDPDRJSWPZPISM-LJQANCHMSA-N 2 1 369.506 0.641 20 0 FCADMP CC(=O)N1CCC(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001275893000 1211307487 /nfs/dbraw/zinc/30/74/87/1211307487.db2.gz NSIKFCRGSGJHFH-IBGZPJMESA-N 2 1 366.506 0.110 20 0 FCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001221254370 1225281937 /nfs/dbraw/zinc/28/19/37/1225281937.db2.gz MVUKMFWVJFSYGM-LRDDRELGSA-N 2 1 359.426 0.826 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)cc(O)c1)C2 ZINC001276106843 1211354556 /nfs/dbraw/zinc/35/45/56/1211354556.db2.gz NPFLPNVXGLQVAU-LJQANCHMSA-N 2 1 363.458 0.710 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(O)cc(O)c1)C2 ZINC001276106843 1211354559 /nfs/dbraw/zinc/35/45/59/1211354559.db2.gz NPFLPNVXGLQVAU-LJQANCHMSA-N 2 1 363.458 0.710 20 0 FCADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001276198754 1211379277 /nfs/dbraw/zinc/37/92/77/1211379277.db2.gz RDGLDWFNKUXHCS-GOSISDBHSA-N 2 1 365.430 0.431 20 0 FCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)o1 ZINC001276198754 1211379280 /nfs/dbraw/zinc/37/92/80/1211379280.db2.gz RDGLDWFNKUXHCS-GOSISDBHSA-N 2 1 365.430 0.431 20 0 FCADMP COc1cc(/C=C\C(=O)NCCCCNC(=O)[C@@H]([NH3+])CC[NH3+])ccc1O ZINC001221265771 1225284687 /nfs/dbraw/zinc/28/46/87/1225284687.db2.gz OLHNGMSWWRMSIM-VSKVDJIOSA-N 2 1 364.446 0.103 20 0 FCADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@]2(CC(=O)N(Cc3cncn3C)C2=O)C1 ZINC001276247538 1211391941 /nfs/dbraw/zinc/39/19/41/1211391941.db2.gz PQTSMAPXHBBIGI-UGSOOPFHSA-N 2 1 362.430 0.570 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095529599 1211397369 /nfs/dbraw/zinc/39/73/69/1211397369.db2.gz XYPHDNVIYOVYKW-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095529599 1211397373 /nfs/dbraw/zinc/39/73/73/1211397373.db2.gz XYPHDNVIYOVYKW-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001095529599 1211397375 /nfs/dbraw/zinc/39/73/75/1211397375.db2.gz XYPHDNVIYOVYKW-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001095529599 1211397377 /nfs/dbraw/zinc/39/73/77/1211397377.db2.gz XYPHDNVIYOVYKW-BDXSIMOUSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000924480856 1211471605 /nfs/dbraw/zinc/47/16/05/1211471605.db2.gz RRBCNVZXXHRQSV-MRXNPFEDSA-N 2 1 363.437 0.430 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000924657396 1211476421 /nfs/dbraw/zinc/47/64/21/1211476421.db2.gz BPOJYLNWTRFDOT-QGZVFWFLSA-N 2 1 374.489 0.596 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000926192646 1211521441 /nfs/dbraw/zinc/52/14/41/1211521441.db2.gz MFHGDEAXETVDQY-WWNBULGVSA-N 2 1 367.534 0.941 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926393356 1211545425 /nfs/dbraw/zinc/54/54/25/1211545425.db2.gz DGCZNIJHZDSQCT-MOPGFXCFSA-N 2 1 372.513 0.959 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000926414843 1211547344 /nfs/dbraw/zinc/54/73/44/1211547344.db2.gz KTJZJSDWXSEBQM-ROUUACIJSA-N 2 1 358.486 0.569 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000926414843 1211547348 /nfs/dbraw/zinc/54/73/48/1211547348.db2.gz KTJZJSDWXSEBQM-ROUUACIJSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926435280 1211549006 /nfs/dbraw/zinc/54/90/06/1211549006.db2.gz LSCYYRXVMCBSGP-KRWDZBQOSA-N 2 1 362.474 0.797 20 0 FCADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)CCO2 ZINC000927637551 1211577015 /nfs/dbraw/zinc/57/70/15/1211577015.db2.gz WFLVVCNUGPPRRZ-QGZVFWFLSA-N 2 1 366.506 0.746 20 0 FCADMP COc1ccccc1[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221336500 1225300727 /nfs/dbraw/zinc/30/07/27/1225300727.db2.gz LDNUHKIQUVLSMV-KRWDZBQOSA-N 2 1 359.430 0.934 20 0 FCADMP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369796 1225302526 /nfs/dbraw/zinc/30/25/26/1225302526.db2.gz NNKNTRPWTXFBGQ-HOTGVXAUSA-N 2 1 356.470 0.349 20 0 FCADMP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001221369796 1225302527 /nfs/dbraw/zinc/30/25/27/1225302527.db2.gz NNKNTRPWTXFBGQ-HOTGVXAUSA-N 2 1 356.470 0.349 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)Cc1ccccc1 ZINC000929398144 1211635223 /nfs/dbraw/zinc/63/52/23/1211635223.db2.gz IDVRBHNBVAPKLM-ZWKOTPCHSA-N 2 1 360.502 0.876 20 0 FCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)Cc1ccccc1 ZINC000929398144 1211635224 /nfs/dbraw/zinc/63/52/24/1211635224.db2.gz IDVRBHNBVAPKLM-ZWKOTPCHSA-N 2 1 360.502 0.876 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000929410620 1211637561 /nfs/dbraw/zinc/63/75/61/1211637561.db2.gz CYEGJRZNPXJYMB-SFHVURJKSA-N 2 1 373.501 0.135 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)[nH+]c1 ZINC000929498657 1211641928 /nfs/dbraw/zinc/64/19/28/1211641928.db2.gz WTFBOXCDSFJKKA-UHFFFAOYSA-N 2 1 359.474 0.909 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000929976080 1211677282 /nfs/dbraw/zinc/67/72/82/1211677282.db2.gz YFSMZFJXCHAXFC-INIZCTEOSA-N 2 1 362.474 0.454 20 0 FCADMP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000929976080 1211677283 /nfs/dbraw/zinc/67/72/83/1211677283.db2.gz YFSMZFJXCHAXFC-INIZCTEOSA-N 2 1 362.474 0.454 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC001110979760 1211683381 /nfs/dbraw/zinc/68/33/81/1211683381.db2.gz BZRUKBMZNCSAJF-AHCXZYCDSA-N 2 1 369.506 0.216 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001110994829 1211717665 /nfs/dbraw/zinc/71/76/65/1211717665.db2.gz IVOQYQORQCLILD-ZXFNITATSA-N 2 1 364.490 0.443 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](C)C ZINC001110994829 1211717671 /nfs/dbraw/zinc/71/76/71/1211717671.db2.gz IVOQYQORQCLILD-ZXFNITATSA-N 2 1 364.490 0.443 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931103106 1211740501 /nfs/dbraw/zinc/74/05/01/1211740501.db2.gz BJUKQTHRDZOELN-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931103106 1211740503 /nfs/dbraw/zinc/74/05/03/1211740503.db2.gz BJUKQTHRDZOELN-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931103106 1211740504 /nfs/dbraw/zinc/74/05/04/1211740504.db2.gz BJUKQTHRDZOELN-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931103106 1211740505 /nfs/dbraw/zinc/74/05/05/1211740505.db2.gz BJUKQTHRDZOELN-KBAYOESNSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485016 1211757597 /nfs/dbraw/zinc/75/75/97/1211757597.db2.gz USVUOLQLGJRQQP-HNNXBMFYSA-N 2 1 362.474 0.789 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000931567343 1211760932 /nfs/dbraw/zinc/76/09/32/1211760932.db2.gz QKVZKNDKVDLGJC-MRXNPFEDSA-N 2 1 363.510 0.688 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000931875127 1211776732 /nfs/dbraw/zinc/77/67/32/1211776732.db2.gz BPTKPWHBACVBCQ-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000931875127 1211776733 /nfs/dbraw/zinc/77/67/33/1211776733.db2.gz BPTKPWHBACVBCQ-GOSISDBHSA-N 2 1 358.486 0.930 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876258 1211777574 /nfs/dbraw/zinc/77/75/74/1211777574.db2.gz XRTMOXKVIJHAGF-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931876258 1211777575 /nfs/dbraw/zinc/77/75/75/1211777575.db2.gz XRTMOXKVIJHAGF-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931876258 1211777578 /nfs/dbraw/zinc/77/75/78/1211777578.db2.gz XRTMOXKVIJHAGF-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931876258 1211777580 /nfs/dbraw/zinc/77/75/80/1211777580.db2.gz XRTMOXKVIJHAGF-ROUUACIJSA-N 2 1 373.501 0.715 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000931883558 1211779606 /nfs/dbraw/zinc/77/96/06/1211779606.db2.gz PBRLQSFVHOLNIH-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931883558 1211779612 /nfs/dbraw/zinc/77/96/12/1211779612.db2.gz PBRLQSFVHOLNIH-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883558 1211779614 /nfs/dbraw/zinc/77/96/14/1211779614.db2.gz PBRLQSFVHOLNIH-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000931883558 1211779616 /nfs/dbraw/zinc/77/96/16/1211779616.db2.gz PBRLQSFVHOLNIH-ZWKOTPCHSA-N 2 1 358.486 0.930 20 0 FCADMP O=C1NC[C@@H](O)CC12CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831164 1211824175 /nfs/dbraw/zinc/82/41/75/1211824175.db2.gz HSPVHMPKFJTKIF-RXVVDRJESA-N 2 1 373.497 0.586 20 0 FCADMP O=C1NC[C@@H](O)CC12CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831164 1211824177 /nfs/dbraw/zinc/82/41/77/1211824177.db2.gz HSPVHMPKFJTKIF-RXVVDRJESA-N 2 1 373.497 0.586 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1ccc2c[nH+]cn2c1 ZINC001095767455 1211980017 /nfs/dbraw/zinc/98/00/17/1211980017.db2.gz FNLZUQQMTCCPFR-PVAVHDDUSA-N 2 1 351.414 0.961 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)CCn3ccnc3)CC2)O1 ZINC000947573822 1212045810 /nfs/dbraw/zinc/04/58/10/1212045810.db2.gz FRWYGHBHMHOBPX-GDBMZVCRSA-N 2 1 363.462 0.100 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1O ZINC000968620825 1212049428 /nfs/dbraw/zinc/04/94/28/1212049428.db2.gz GBTRIWQFGZUBKE-IKGGRYGDSA-N 2 1 371.441 0.349 20 0 FCADMP CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@@H]1O ZINC000968620825 1212049433 /nfs/dbraw/zinc/04/94/33/1212049433.db2.gz GBTRIWQFGZUBKE-IKGGRYGDSA-N 2 1 371.441 0.349 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@H+]1C ZINC000947664795 1212062908 /nfs/dbraw/zinc/06/29/08/1212062908.db2.gz MQAJVMYINCYDGY-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC[NH+]1C ZINC000947664795 1212062910 /nfs/dbraw/zinc/06/29/10/1212062910.db2.gz MQAJVMYINCYDGY-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC[NH+]1C ZINC000947664795 1212062915 /nfs/dbraw/zinc/06/29/15/1212062915.db2.gz MQAJVMYINCYDGY-MDYRTPRTSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCn2cncn2)O1 ZINC000968906823 1212173789 /nfs/dbraw/zinc/17/37/89/1212173789.db2.gz IDSVHHQAVOGJIG-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCn2cncn2)O1 ZINC000968906823 1212173795 /nfs/dbraw/zinc/17/37/95/1212173795.db2.gz IDSVHHQAVOGJIG-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCn2cncn2)O1 ZINC000968906823 1212173796 /nfs/dbraw/zinc/17/37/96/1212173796.db2.gz IDSVHHQAVOGJIG-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCn2cncn2)O1 ZINC000968906823 1212173801 /nfs/dbraw/zinc/17/38/01/1212173801.db2.gz IDSVHHQAVOGJIG-BRWVUGGUSA-N 2 1 364.494 0.358 20 0 FCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274882 1212194155 /nfs/dbraw/zinc/19/41/55/1212194155.db2.gz MEBCHWNGPYJGJP-MLHJIOFPSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274882 1212194159 /nfs/dbraw/zinc/19/41/59/1212194159.db2.gz MEBCHWNGPYJGJP-MLHJIOFPSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274882 1212194164 /nfs/dbraw/zinc/19/41/64/1212194164.db2.gz MEBCHWNGPYJGJP-MLHJIOFPSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCn3cccn3)CC2)O1 ZINC000948542375 1212197270 /nfs/dbraw/zinc/19/72/70/1212197270.db2.gz QWXCJBFCTFBRRI-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCn3cccn3)CC2)O1 ZINC000948542375 1212197275 /nfs/dbraw/zinc/19/72/75/1212197275.db2.gz QWXCJBFCTFBRRI-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCn3cccn3)CC2)O1 ZINC000948542375 1212197282 /nfs/dbraw/zinc/19/72/82/1212197282.db2.gz QWXCJBFCTFBRRI-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCn3cccn3)CC2)O1 ZINC000948542375 1212197285 /nfs/dbraw/zinc/19/72/85/1212197285.db2.gz QWXCJBFCTFBRRI-KZNAEPCWSA-N 2 1 363.506 0.915 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(CO)cc1 ZINC001111277478 1212204092 /nfs/dbraw/zinc/20/40/92/1212204092.db2.gz UGEHHJYYNYDHHJ-QRVBRYPASA-N 2 1 361.486 0.979 20 0 FCADMP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111281323 1212233267 /nfs/dbraw/zinc/23/32/67/1212233267.db2.gz MZOMTUGEVAMAMC-HZMVEIRTSA-N 2 1 366.506 0.202 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282411 1212235880 /nfs/dbraw/zinc/23/58/80/1212235880.db2.gz OPAHWOXVKUCNBT-XDNAFOTISA-N 2 1 365.518 0.837 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CC[NH+]([C@@H](C)C(N)=O)CC3)C2)CC[N@H+]1C ZINC000949098799 1212291301 /nfs/dbraw/zinc/29/13/01/1212291301.db2.gz FNDVXKUMBZAIOP-HRCADAONSA-N 2 1 366.506 0.284 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000949516248 1212399936 /nfs/dbraw/zinc/39/99/36/1212399936.db2.gz SJXHDEBDTHSSQT-QBPKDAKJSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949858300 1212474449 /nfs/dbraw/zinc/47/44/49/1212474449.db2.gz AGSHZNALTZOGAI-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949858300 1212474451 /nfs/dbraw/zinc/47/44/51/1212474451.db2.gz AGSHZNALTZOGAI-BRWVUGGUSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949954711 1212491869 /nfs/dbraw/zinc/49/18/69/1212491869.db2.gz AAZKULGKGRVDIU-OAGGEKHMSA-N 2 1 371.485 0.819 20 0 FCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298501 1212494021 /nfs/dbraw/zinc/49/40/21/1212494021.db2.gz AERFARSHGUNZRG-XDNAFOTISA-N 2 1 371.522 0.464 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001007479300 1212501397 /nfs/dbraw/zinc/50/13/97/1212501397.db2.gz IVAVDBPIFNEVDV-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001007479300 1212501399 /nfs/dbraw/zinc/50/13/99/1212501399.db2.gz IVAVDBPIFNEVDV-GJYPPUQNSA-N 2 1 359.474 0.641 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001111308507 1212537356 /nfs/dbraw/zinc/53/73/56/1212537356.db2.gz PQOSLXUXIZGOSI-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001111308507 1212537362 /nfs/dbraw/zinc/53/73/62/1212537362.db2.gz PQOSLXUXIZGOSI-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001111308507 1212537364 /nfs/dbraw/zinc/53/73/64/1212537364.db2.gz PQOSLXUXIZGOSI-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001111308507 1212537367 /nfs/dbraw/zinc/53/73/67/1212537367.db2.gz PQOSLXUXIZGOSI-TUVASFSCSA-N 2 1 367.494 0.284 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007625197 1212540572 /nfs/dbraw/zinc/54/05/72/1212540572.db2.gz QTUMIWWLIXEWJD-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007625197 1212540581 /nfs/dbraw/zinc/54/05/81/1212540581.db2.gz QTUMIWWLIXEWJD-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007625197 1212540587 /nfs/dbraw/zinc/54/05/87/1212540587.db2.gz QTUMIWWLIXEWJD-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007625197 1212540594 /nfs/dbraw/zinc/54/05/94/1212540594.db2.gz QTUMIWWLIXEWJD-FGTMMUONSA-N 2 1 363.506 0.800 20 0 FCADMP CCn1cc(CC[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624903 1212540798 /nfs/dbraw/zinc/54/07/98/1212540798.db2.gz PRWQGRAZAPTOQU-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624903 1212540803 /nfs/dbraw/zinc/54/08/03/1212540803.db2.gz PRWQGRAZAPTOQU-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624903 1212540806 /nfs/dbraw/zinc/54/08/06/1212540806.db2.gz PRWQGRAZAPTOQU-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CCn1cc(CC[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001007624903 1212540808 /nfs/dbraw/zinc/54/08/08/1212540808.db2.gz PRWQGRAZAPTOQU-KBAYOESNSA-N 2 1 363.506 0.745 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390083 1212566316 /nfs/dbraw/zinc/56/63/16/1212566316.db2.gz JJTKRQJQFPLBPT-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390083 1212566319 /nfs/dbraw/zinc/56/63/19/1212566319.db2.gz JJTKRQJQFPLBPT-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390083 1212566321 /nfs/dbraw/zinc/56/63/21/1212566321.db2.gz JJTKRQJQFPLBPT-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1 ZINC000950390083 1212566324 /nfs/dbraw/zinc/56/63/24/1212566324.db2.gz JJTKRQJQFPLBPT-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001007827852 1212586615 /nfs/dbraw/zinc/58/66/15/1212586615.db2.gz QMJVUMAFRHBEGZ-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001007827852 1212586621 /nfs/dbraw/zinc/58/66/21/1212586621.db2.gz QMJVUMAFRHBEGZ-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CN1CCCC1)C2 ZINC001007945330 1212604449 /nfs/dbraw/zinc/60/44/49/1212604449.db2.gz HCLGHBNRMWBBJP-KXBFYZLASA-N 2 1 359.474 0.854 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1C ZINC000950786344 1212670482 /nfs/dbraw/zinc/67/04/82/1212670482.db2.gz TVVOKIJZXLCCTB-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@H+]2CCC(C)(C)C2)O1 ZINC000950790176 1212675273 /nfs/dbraw/zinc/67/52/73/1212675273.db2.gz ZRPJXEWNZSGWIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)O1 ZINC000950790176 1212675277 /nfs/dbraw/zinc/67/52/77/1212675277.db2.gz ZRPJXEWNZSGWIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[NH+]2CCC(C)(C)C2)O1 ZINC000950790176 1212675285 /nfs/dbraw/zinc/67/52/85/1212675285.db2.gz ZRPJXEWNZSGWIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C[N@H+]2CCC(C)(C)C2)O1 ZINC000950790176 1212675298 /nfs/dbraw/zinc/67/52/98/1212675298.db2.gz ZRPJXEWNZSGWIO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000950805846 1212681683 /nfs/dbraw/zinc/68/16/83/1212681683.db2.gz XPKUVTPUEDZVQE-MDYRTPRTSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000954410816 1213070739 /nfs/dbraw/zinc/07/07/39/1213070739.db2.gz ZYERTLJIXAHNKN-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000954410816 1213070741 /nfs/dbraw/zinc/07/07/41/1213070741.db2.gz ZYERTLJIXAHNKN-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000954410816 1213070747 /nfs/dbraw/zinc/07/07/47/1213070747.db2.gz ZYERTLJIXAHNKN-DJIMGWMZSA-N 2 1 366.506 0.105 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000954412439 1213071911 /nfs/dbraw/zinc/07/19/11/1213071911.db2.gz IKSIUVZOPBIDAR-OKZBNKHCSA-N 2 1 362.518 0.728 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCc4nccn43)C2)CC[N@H+]1C ZINC000954510758 1213080620 /nfs/dbraw/zinc/08/06/20/1213080620.db2.gz DNECUEZLCCUVDB-BMFZPTHFSA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC000954510758 1213080623 /nfs/dbraw/zinc/08/06/23/1213080623.db2.gz DNECUEZLCCUVDB-BMFZPTHFSA-N 2 1 359.474 0.770 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC[N@H+]1C ZINC000954510758 1213080626 /nfs/dbraw/zinc/08/06/26/1213080626.db2.gz DNECUEZLCCUVDB-BMFZPTHFSA-N 2 1 359.474 0.770 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001221659643 1225422961 /nfs/dbraw/zinc/42/29/61/1225422961.db2.gz SZKLURHSXFFETL-SJLPKXTDSA-N 2 1 362.474 0.450 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC000954686745 1213101681 /nfs/dbraw/zinc/10/16/81/1213101681.db2.gz KJMWGZFNGMDSOK-IUODEOHRSA-N 2 1 363.462 0.359 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC000954686745 1213101688 /nfs/dbraw/zinc/10/16/88/1213101688.db2.gz KJMWGZFNGMDSOK-IUODEOHRSA-N 2 1 363.462 0.359 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662391 1225423841 /nfs/dbraw/zinc/42/38/41/1225423841.db2.gz KRPUSGCWQRJYBX-ZMSDIMECSA-N 2 1 359.474 0.575 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221662391 1225423842 /nfs/dbraw/zinc/42/38/42/1225423842.db2.gz KRPUSGCWQRJYBX-ZMSDIMECSA-N 2 1 359.474 0.575 20 0 FCADMP CN(CCC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21)c1cc[nH+]cc1 ZINC001221662531 1225423903 /nfs/dbraw/zinc/42/39/03/1225423903.db2.gz QQFSPIGMSQHSCB-SJLPKXTDSA-N 2 1 369.473 0.732 20 0 FCADMP COCC[NH+]1CCC2(CCC(=O)N(CCC[NH+]3CCN(C)CC3)C2)CC1 ZINC001276357421 1213446355 /nfs/dbraw/zinc/44/63/55/1213446355.db2.gz LPOZUNYKSOZYDU-UHFFFAOYSA-N 2 1 366.550 0.975 20 0 FCADMP COc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)n1 ZINC000959971135 1213566177 /nfs/dbraw/zinc/56/61/77/1213566177.db2.gz DFSBBIRBAQCFMX-MNLARUNXSA-N 2 1 359.474 0.680 20 0 FCADMP COc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)n1 ZINC000959971135 1213566186 /nfs/dbraw/zinc/56/61/86/1213566186.db2.gz DFSBBIRBAQCFMX-MNLARUNXSA-N 2 1 359.474 0.680 20 0 FCADMP COc1ncc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC000959971135 1213566190 /nfs/dbraw/zinc/56/61/90/1213566190.db2.gz DFSBBIRBAQCFMX-MNLARUNXSA-N 2 1 359.474 0.680 20 0 FCADMP COc1ncc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC000959971135 1213566195 /nfs/dbraw/zinc/56/61/95/1213566195.db2.gz DFSBBIRBAQCFMX-MNLARUNXSA-N 2 1 359.474 0.680 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC4CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC000959973360 1213567307 /nfs/dbraw/zinc/56/73/07/1213567307.db2.gz MCOFJZVAJIQQGV-YKPDLDGBSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC4CCCCC4)C[C@H]32)CC[N@H+]1C ZINC000959973360 1213567314 /nfs/dbraw/zinc/56/73/14/1213567314.db2.gz MCOFJZVAJIQQGV-YKPDLDGBSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CCCCC4)C[C@H]32)CC[NH+]1C ZINC000959973360 1213567321 /nfs/dbraw/zinc/56/73/21/1213567321.db2.gz MCOFJZVAJIQQGV-YKPDLDGBSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CCCCC4)C[C@H]32)CC[NH+]1C ZINC000959973360 1213567328 /nfs/dbraw/zinc/56/73/28/1213567328.db2.gz MCOFJZVAJIQQGV-YKPDLDGBSA-N 2 1 362.518 0.822 20 0 FCADMP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001221771840 1225476578 /nfs/dbraw/zinc/47/65/78/1225476578.db2.gz HXAMNJBBQJYWBR-HUUCEWRRSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC000960528223 1213804855 /nfs/dbraw/zinc/80/48/55/1213804855.db2.gz QFRXARMPMRTNHP-DRDFSMPYSA-N 2 1 371.441 0.488 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC000960528223 1213804859 /nfs/dbraw/zinc/80/48/59/1213804859.db2.gz QFRXARMPMRTNHP-DRDFSMPYSA-N 2 1 371.441 0.488 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC000960528223 1213804864 /nfs/dbraw/zinc/80/48/64/1213804864.db2.gz QFRXARMPMRTNHP-DRDFSMPYSA-N 2 1 371.441 0.488 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC000960528223 1213804865 /nfs/dbraw/zinc/80/48/65/1213804865.db2.gz QFRXARMPMRTNHP-DRDFSMPYSA-N 2 1 371.441 0.488 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)CC[N@@H+]1C ZINC001011211341 1213851913 /nfs/dbraw/zinc/85/19/13/1213851913.db2.gz PKVHBEMUDJALAO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)CC[N@H+]1C ZINC001011211341 1213851919 /nfs/dbraw/zinc/85/19/19/1213851919.db2.gz PKVHBEMUDJALAO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)CC[NH+]1C ZINC001011211341 1213851923 /nfs/dbraw/zinc/85/19/23/1213851923.db2.gz PKVHBEMUDJALAO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)CC[NH+]1C ZINC001011211341 1213851926 /nfs/dbraw/zinc/85/19/26/1213851926.db2.gz PKVHBEMUDJALAO-BBWFWOEESA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)O1 ZINC001011321009 1213870133 /nfs/dbraw/zinc/87/01/33/1213870133.db2.gz ASLLRCUWJOANNU-HZPDHXFCSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)O1 ZINC001011321009 1213870136 /nfs/dbraw/zinc/87/01/36/1213870136.db2.gz ASLLRCUWJOANNU-HZPDHXFCSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000418936010 1213927328 /nfs/dbraw/zinc/92/73/28/1213927328.db2.gz BCYPJUGHVODLGB-OXQOHEQNSA-N 2 1 358.486 0.978 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)NC2CC2)CC3)CC[N@H+]1C ZINC001016631567 1214025646 /nfs/dbraw/zinc/02/56/46/1214025646.db2.gz VDYVRIGIFANNIB-BBWFWOEESA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@@H+]1C ZINC001018867991 1214166734 /nfs/dbraw/zinc/16/67/34/1214166734.db2.gz YJFBIFXMUYNSIW-HZSPNIEDSA-N 2 1 371.445 0.557 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(-c4ccncn4)no3)C2)CC[N@H+]1C ZINC001018867991 1214166742 /nfs/dbraw/zinc/16/67/42/1214166742.db2.gz YJFBIFXMUYNSIW-HZSPNIEDSA-N 2 1 371.445 0.557 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001018872777 1214166857 /nfs/dbraw/zinc/16/68/57/1214166857.db2.gz IJTSXFYCRDJYTK-HRCADAONSA-N 2 1 363.510 0.894 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001018872777 1214166861 /nfs/dbraw/zinc/16/68/61/1214166861.db2.gz IJTSXFYCRDJYTK-HRCADAONSA-N 2 1 363.510 0.894 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001019031503 1214181714 /nfs/dbraw/zinc/18/17/14/1214181714.db2.gz OLQPVLNRNXOSTD-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP CC1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001019031503 1214181721 /nfs/dbraw/zinc/18/17/21/1214181721.db2.gz OLQPVLNRNXOSTD-IXDOHACOSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4CC[NH+](C)CC4)C3)C2)CC[N@H+]1C ZINC001019156496 1214210251 /nfs/dbraw/zinc/21/02/51/1214210251.db2.gz HSDYQUQWJIOMBL-NVXWUHKLSA-N 2 1 362.518 0.729 20 0 FCADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001019416487 1214239723 /nfs/dbraw/zinc/23/97/23/1214239723.db2.gz NRMRSMPGASFJOX-UHOSZYNNSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001019416487 1214239727 /nfs/dbraw/zinc/23/97/27/1214239727.db2.gz NRMRSMPGASFJOX-UHOSZYNNSA-N 2 1 368.485 0.851 20 0 FCADMP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416777 1214239843 /nfs/dbraw/zinc/23/98/43/1214239843.db2.gz XSXBGVZQZVUTGP-UHOSZYNNSA-N 2 1 368.485 0.851 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[N@@H+]4CCC[C@@H]4C)C3)C2)CC[NH+]1C ZINC001019441259 1214242600 /nfs/dbraw/zinc/24/26/00/1214242600.db2.gz HOZWRWUTHFCLRY-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CCC[C@@H]4C)C3)C2)CC[N@@H+]1C ZINC001019441259 1214242610 /nfs/dbraw/zinc/24/26/10/1214242610.db2.gz HOZWRWUTHFCLRY-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CCC[C@@H]4C)C3)C2)CC[N@H+]1C ZINC001019441259 1214242619 /nfs/dbraw/zinc/24/26/19/1214242619.db2.gz HOZWRWUTHFCLRY-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376187 1214324015 /nfs/dbraw/zinc/32/40/15/1214324015.db2.gz ZVEOLEILLIVFAL-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CN1CC[NH+](CCCN2C[C@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376187 1214324024 /nfs/dbraw/zinc/32/40/24/1214324024.db2.gz ZVEOLEILLIVFAL-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221883240 1225521775 /nfs/dbraw/zinc/52/17/75/1225521775.db2.gz VNVWKDSGTFMRQY-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001221883240 1225521780 /nfs/dbraw/zinc/52/17/80/1225521780.db2.gz VNVWKDSGTFMRQY-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP Cc1c(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccc2c[nH+]cn21 ZINC000961965199 1214380782 /nfs/dbraw/zinc/38/07/82/1214380782.db2.gz RAKNBLJNEPKGRX-ZACQAIPSSA-N 2 1 371.441 0.038 20 0 FCADMP Cc1ncc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)CC2 ZINC001095934501 1214458907 /nfs/dbraw/zinc/45/89/07/1214458907.db2.gz QLCMNOVUCSGWRL-MVJTYMMSSA-N 2 1 369.473 0.767 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)N2CCC2)C3)CC[N@H+]1C ZINC001040208702 1214484956 /nfs/dbraw/zinc/48/49/56/1214484956.db2.gz BOOVXGVNCYSLIZ-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001040208702 1214484960 /nfs/dbraw/zinc/48/49/60/1214484960.db2.gz BOOVXGVNCYSLIZ-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)N2CCC2)C3)CC[NH+]1C ZINC001040208702 1214484966 /nfs/dbraw/zinc/48/49/66/1214484966.db2.gz BOOVXGVNCYSLIZ-MBOZVWFJSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950785 1225550324 /nfs/dbraw/zinc/55/03/24/1225550324.db2.gz YIMPVBSEBLPRGE-GVDBMIGSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950785 1225550326 /nfs/dbraw/zinc/55/03/26/1225550326.db2.gz YIMPVBSEBLPRGE-GVDBMIGSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000963072313 1214726154 /nfs/dbraw/zinc/72/61/54/1214726154.db2.gz ACDOXVMUYWAMKT-PMPSAXMXSA-N 2 1 366.506 0.031 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC000963153943 1214752386 /nfs/dbraw/zinc/75/23/86/1214752386.db2.gz NKQADTXTMAKAHX-FPCVCCKLSA-N 2 1 359.474 0.884 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963485363 1214813736 /nfs/dbraw/zinc/81/37/36/1214813736.db2.gz AXJCOSCSWRZSGP-BBWFWOEESA-N 2 1 366.506 0.033 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962775 1225555709 /nfs/dbraw/zinc/55/57/09/1225555709.db2.gz VPQHZXXYJJGLJE-KZNAEPCWSA-N 2 1 371.522 0.275 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ccnn3C)CC2)O1 ZINC000963550889 1214820533 /nfs/dbraw/zinc/82/05/33/1214820533.db2.gz JHJKVRGQNIEPEY-YHOLWWCESA-N 2 1 363.506 0.998 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ccnn3C)CC2)O1 ZINC000963550889 1214820537 /nfs/dbraw/zinc/82/05/37/1214820537.db2.gz JHJKVRGQNIEPEY-YHOLWWCESA-N 2 1 363.506 0.998 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCN(C)C2=O)C3)CC[N@H+]1C ZINC000963823423 1214859066 /nfs/dbraw/zinc/85/90/66/1214859066.db2.gz JTYVVYJWOJCZBR-IGQNVKQNSA-N 2 1 362.518 0.964 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000964507484 1214970456 /nfs/dbraw/zinc/97/04/56/1214970456.db2.gz PUZLMZHWFCCKNF-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)O1 ZINC000964507484 1214970457 /nfs/dbraw/zinc/97/04/57/1214970457.db2.gz PUZLMZHWFCCKNF-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001222018001 1225576949 /nfs/dbraw/zinc/57/69/49/1225576949.db2.gz HRIZBOQVDSADLM-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001222018001 1225576953 /nfs/dbraw/zinc/57/69/53/1225576953.db2.gz HRIZBOQVDSADLM-FGTMMUONSA-N 2 1 362.474 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966370158 1215170805 /nfs/dbraw/zinc/17/08/05/1215170805.db2.gz RLWWAHBVCGLAJV-ZACQAIPSSA-N 2 1 366.506 0.033 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000968096410 1215285872 /nfs/dbraw/zinc/28/58/72/1215285872.db2.gz KLATXFDZSTVERI-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000968096410 1215285876 /nfs/dbraw/zinc/28/58/76/1215285876.db2.gz KLATXFDZSTVERI-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000968096410 1215285877 /nfs/dbraw/zinc/28/58/77/1215285877.db2.gz KLATXFDZSTVERI-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000968096410 1215285881 /nfs/dbraw/zinc/28/58/81/1215285881.db2.gz KLATXFDZSTVERI-BFYDXBDKSA-N 2 1 366.506 0.107 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222463468 1225626145 /nfs/dbraw/zinc/62/61/45/1225626145.db2.gz OTLKPWMQNUFADK-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222463468 1225626148 /nfs/dbraw/zinc/62/61/48/1225626148.db2.gz OTLKPWMQNUFADK-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222463468 1225626150 /nfs/dbraw/zinc/62/61/50/1225626150.db2.gz OTLKPWMQNUFADK-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP CCOCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222463468 1225626155 /nfs/dbraw/zinc/62/61/55/1225626155.db2.gz OTLKPWMQNUFADK-IKGGRYGDSA-N 2 1 366.506 0.156 20 0 FCADMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)cn1 ZINC001098013621 1215925006 /nfs/dbraw/zinc/92/50/06/1215925006.db2.gz XWPJLUVIQINRRQ-KURKYZTESA-N 2 1 371.489 0.714 20 0 FCADMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)cn1 ZINC001098013621 1215925011 /nfs/dbraw/zinc/92/50/11/1215925011.db2.gz XWPJLUVIQINRRQ-KURKYZTESA-N 2 1 371.489 0.714 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCOC2)cn1 ZINC001098013644 1215925242 /nfs/dbraw/zinc/92/52/42/1215925242.db2.gz ZNPFHDXAIUHMRP-HPBDAGMYSA-N 2 1 361.490 0.816 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)O1 ZINC001056682974 1215983446 /nfs/dbraw/zinc/98/34/46/1215983446.db2.gz WFGSHVOWVNKVCI-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)O1 ZINC001056682974 1215983453 /nfs/dbraw/zinc/98/34/53/1215983453.db2.gz WFGSHVOWVNKVCI-YYIAUSFCSA-N 2 1 366.506 0.107 20 0 FCADMP C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001000693106 1216106091 /nfs/dbraw/zinc/10/60/91/1216106091.db2.gz NHNQEZDIPHWCSW-LZQZEXGQSA-N 2 1 365.518 0.862 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001001425262 1216196428 /nfs/dbraw/zinc/19/64/28/1216196428.db2.gz MXVMQNSCWNJDEW-DLBZAZTESA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nccn3C)CC2)O1 ZINC001050336172 1216308115 /nfs/dbraw/zinc/30/81/15/1216308115.db2.gz IMNWJNPRFZFWCS-QBPKDAKJSA-N 2 1 363.506 0.904 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nccn3C)CC2)O1 ZINC001050336172 1216308123 /nfs/dbraw/zinc/30/81/23/1216308123.db2.gz IMNWJNPRFZFWCS-QBPKDAKJSA-N 2 1 363.506 0.904 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC001050336614 1216308394 /nfs/dbraw/zinc/30/83/94/1216308394.db2.gz OIQZIOGFXIJLCE-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)CC2)O1 ZINC001050336614 1216308403 /nfs/dbraw/zinc/30/84/03/1216308403.db2.gz OIQZIOGFXIJLCE-WRQOLXDDSA-N 2 1 366.506 0.201 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@@H+](CCNC(=O)C4CC4)[C@H]3C2)CCC1 ZINC001222892360 1225663427 /nfs/dbraw/zinc/66/34/27/1225663427.db2.gz MQTHPWQHCFPEIW-WBVHZDCISA-N 2 1 362.518 0.920 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222959330 1225669984 /nfs/dbraw/zinc/66/99/84/1225669984.db2.gz XARTUOGURGERGD-ZACQAIPSSA-N 2 1 368.522 0.402 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681541 1216474934 /nfs/dbraw/zinc/47/49/34/1216474934.db2.gz YDXOSJBKGBFRRZ-SRCQZFHVSA-N 2 1 366.462 0.328 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681541 1216474942 /nfs/dbraw/zinc/47/49/42/1216474942.db2.gz YDXOSJBKGBFRRZ-SRCQZFHVSA-N 2 1 366.462 0.328 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1C ZINC001057746193 1216537167 /nfs/dbraw/zinc/53/71/67/1216537167.db2.gz OPVWTBPZNMSWIA-GVDBMIGSSA-N 2 1 370.538 0.240 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001052389756 1216547202 /nfs/dbraw/zinc/54/72/02/1216547202.db2.gz ZCQBDEPQZSYDHK-JZXOWHBKSA-N 2 1 366.506 0.189 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1=O ZINC000827320076 1216586954 /nfs/dbraw/zinc/58/69/54/1216586954.db2.gz QQSSZOKDTIMXLN-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1=O ZINC000827320076 1216586962 /nfs/dbraw/zinc/58/69/62/1216586962.db2.gz QQSSZOKDTIMXLN-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC000827320076 1216586967 /nfs/dbraw/zinc/58/69/67/1216586967.db2.gz QQSSZOKDTIMXLN-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057970634 1216615537 /nfs/dbraw/zinc/61/55/37/1216615537.db2.gz CZEOLFXDGVAWQO-HUUCEWRRSA-N 2 1 365.478 0.182 20 0 FCADMP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001057970634 1216615538 /nfs/dbraw/zinc/61/55/38/1216615538.db2.gz CZEOLFXDGVAWQO-HUUCEWRRSA-N 2 1 365.478 0.182 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001057970634 1216615541 /nfs/dbraw/zinc/61/55/41/1216615541.db2.gz CZEOLFXDGVAWQO-HUUCEWRRSA-N 2 1 365.478 0.182 20 0 FCADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223174879 1225688898 /nfs/dbraw/zinc/68/88/98/1225688898.db2.gz SQMDEBSUITYCJP-NZSAHSFTSA-N 2 1 365.518 0.793 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC001223221944 1225690449 /nfs/dbraw/zinc/69/04/49/1225690449.db2.gz LCZCYCGSTZMZPY-SJORKVTESA-N 2 1 361.490 0.968 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CO2 ZINC001068885104 1216765419 /nfs/dbraw/zinc/76/54/19/1216765419.db2.gz NQNLHTQVPAAXNE-OWCLPIDISA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885104 1216765424 /nfs/dbraw/zinc/76/54/24/1216765424.db2.gz NQNLHTQVPAAXNE-OWCLPIDISA-N 2 1 366.506 0.153 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885104 1216765432 /nfs/dbraw/zinc/76/54/32/1216765432.db2.gz NQNLHTQVPAAXNE-OWCLPIDISA-N 2 1 366.506 0.153 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248069 1225693777 /nfs/dbraw/zinc/69/37/77/1225693777.db2.gz CYHYLAQDTQAKLE-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248069 1225693783 /nfs/dbraw/zinc/69/37/83/1225693783.db2.gz CYHYLAQDTQAKLE-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001069450005 1216790906 /nfs/dbraw/zinc/79/09/06/1216790906.db2.gz HHLRIEWUTWLKHR-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001069450005 1216790909 /nfs/dbraw/zinc/79/09/09/1216790909.db2.gz HHLRIEWUTWLKHR-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905563 1216832079 /nfs/dbraw/zinc/83/20/79/1216832079.db2.gz DLNYVLJWCKLKBC-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905563 1216832082 /nfs/dbraw/zinc/83/20/82/1216832082.db2.gz DLNYVLJWCKLKBC-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905563 1216832083 /nfs/dbraw/zinc/83/20/83/1216832083.db2.gz DLNYVLJWCKLKBC-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905563 1216832084 /nfs/dbraw/zinc/83/20/84/1216832084.db2.gz DLNYVLJWCKLKBC-IKGGRYGDSA-N 2 1 364.494 0.386 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001069988396 1216886001 /nfs/dbraw/zinc/88/60/01/1216886001.db2.gz VGJAHOJDGRAPTN-IXDOHACOSA-N 2 1 364.469 0.854 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001069988396 1216886003 /nfs/dbraw/zinc/88/60/03/1216886003.db2.gz VGJAHOJDGRAPTN-IXDOHACOSA-N 2 1 364.469 0.854 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393644 1225703214 /nfs/dbraw/zinc/70/32/14/1225703214.db2.gz QTXUQFVADUODGG-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223429890 1225706060 /nfs/dbraw/zinc/70/60/60/1225706060.db2.gz DBBMBKQLJARPQM-CVEARBPZSA-N 2 1 367.538 0.959 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223571000 1225716859 /nfs/dbraw/zinc/71/68/59/1225716859.db2.gz WFXNTJOWLOKFSL-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223571000 1225716862 /nfs/dbraw/zinc/71/68/62/1225716862.db2.gz WFXNTJOWLOKFSL-BFYDXBDKSA-N 2 1 368.522 0.448 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223569942 1225717138 /nfs/dbraw/zinc/71/71/38/1225717138.db2.gz GNGSPKVTMJZQQJ-HYVNUMGLSA-N 2 1 368.522 0.578 20 0 FCADMP CCCC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223569942 1225717139 /nfs/dbraw/zinc/71/71/39/1225717139.db2.gz GNGSPKVTMJZQQJ-HYVNUMGLSA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCN4CCCC4=O)C3)C2)CC[N@H+]1C ZINC001041301709 1217273449 /nfs/dbraw/zinc/27/34/49/1217273449.db2.gz PUAROAJMHLQSOG-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCN4CCCC4=O)C3)C2)CC[NH+]1C ZINC001041301709 1217273453 /nfs/dbraw/zinc/27/34/53/1217273453.db2.gz PUAROAJMHLQSOG-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCN4CCCC4=O)C3)C2)CC[NH+]1C ZINC001041301709 1217273454 /nfs/dbraw/zinc/27/34/54/1217273454.db2.gz PUAROAJMHLQSOG-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001041310083 1217276929 /nfs/dbraw/zinc/27/69/29/1217276929.db2.gz DOAKBLOATQXXBV-GUDXXQAFSA-N 2 1 361.490 0.743 20 0 FCADMP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001041310083 1217276933 /nfs/dbraw/zinc/27/69/33/1217276933.db2.gz DOAKBLOATQXXBV-GUDXXQAFSA-N 2 1 361.490 0.743 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ccnn4C)C3)C2)O1 ZINC001041403010 1217313356 /nfs/dbraw/zinc/31/33/56/1217313356.db2.gz MMKLJDVRAHYLFY-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ccnn4C)C3)C2)O1 ZINC001041403010 1217313363 /nfs/dbraw/zinc/31/33/63/1217313363.db2.gz MMKLJDVRAHYLFY-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ccnn4C)C3)C2)O1 ZINC001041403010 1217313374 /nfs/dbraw/zinc/31/33/74/1217313374.db2.gz MMKLJDVRAHYLFY-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccnn4C)C3)C2)O1 ZINC001041403010 1217313381 /nfs/dbraw/zinc/31/33/81/1217313381.db2.gz MMKLJDVRAHYLFY-SUMDDJOVSA-N 2 1 361.490 0.564 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223840093 1225740342 /nfs/dbraw/zinc/74/03/42/1225740342.db2.gz YDFYDRPVDYPGPP-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223840093 1225740348 /nfs/dbraw/zinc/74/03/48/1225740348.db2.gz YDFYDRPVDYPGPP-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223840093 1225740352 /nfs/dbraw/zinc/74/03/52/1225740352.db2.gz YDFYDRPVDYPGPP-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223840093 1225740355 /nfs/dbraw/zinc/74/03/55/1225740355.db2.gz YDFYDRPVDYPGPP-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916798 1225746193 /nfs/dbraw/zinc/74/61/93/1225746193.db2.gz RNYPDIQUYJESNR-AEFFLSMTSA-N 2 1 361.490 0.786 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223985263 1225750246 /nfs/dbraw/zinc/75/02/46/1225750246.db2.gz WLYSXMDRUAWESR-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223985263 1225750250 /nfs/dbraw/zinc/75/02/50/1225750250.db2.gz WLYSXMDRUAWESR-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)COCCOC)[C@H]2C1 ZINC001223985263 1225750254 /nfs/dbraw/zinc/75/02/54/1225750254.db2.gz WLYSXMDRUAWESR-SQNIBIBYSA-N 2 1 371.522 0.275 20 0 FCADMP CCN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21)C1CC1 ZINC001224129590 1225758998 /nfs/dbraw/zinc/75/89/98/1225758998.db2.gz IJQFQCJVKWXLQM-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21)C1CC1 ZINC001224129590 1225759003 /nfs/dbraw/zinc/75/90/03/1225759003.db2.gz IJQFQCJVKWXLQM-NUJGCVRESA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)[NH+](CC)CC ZINC001046381567 1218031225 /nfs/dbraw/zinc/03/12/25/1218031225.db2.gz WNCWKESVZIGQGN-BZUAXINKSA-N 2 1 368.522 0.137 20 0 FCADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898898 1218050973 /nfs/dbraw/zinc/05/09/73/1218050973.db2.gz NLQRJGMQWDWXLB-FQEVSTJZSA-N 2 1 371.485 0.812 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)cn1 ZINC001096140092 1218090565 /nfs/dbraw/zinc/09/05/65/1218090565.db2.gz ONVXBMUOQDWQNW-SQNIBIBYSA-N 2 1 371.489 0.677 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047386330 1218138454 /nfs/dbraw/zinc/13/84/54/1218138454.db2.gz QKGGEIZMASXFBV-MHORFTMASA-N 2 1 363.506 0.462 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]2O)CC[N@H+]1C ZINC001047386330 1218138460 /nfs/dbraw/zinc/13/84/60/1218138460.db2.gz QKGGEIZMASXFBV-MHORFTMASA-N 2 1 363.506 0.462 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]2O)CC[NH+]1C ZINC001047386330 1218138465 /nfs/dbraw/zinc/13/84/65/1218138465.db2.gz QKGGEIZMASXFBV-MHORFTMASA-N 2 1 363.506 0.462 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]2O)CC[NH+]1C ZINC001047386330 1218138470 /nfs/dbraw/zinc/13/84/70/1218138470.db2.gz QKGGEIZMASXFBV-MHORFTMASA-N 2 1 363.506 0.462 20 0 FCADMP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047537299 1218160002 /nfs/dbraw/zinc/16/00/02/1218160002.db2.gz DLUPDMDYHNYPIZ-XWSJACJDSA-N 2 1 361.486 0.218 20 0 FCADMP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047537299 1218160003 /nfs/dbraw/zinc/16/00/03/1218160003.db2.gz DLUPDMDYHNYPIZ-XWSJACJDSA-N 2 1 361.486 0.218 20 0 FCADMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047537299 1218160007 /nfs/dbraw/zinc/16/00/07/1218160007.db2.gz DLUPDMDYHNYPIZ-XWSJACJDSA-N 2 1 361.486 0.218 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001096344687 1218256387 /nfs/dbraw/zinc/25/63/87/1218256387.db2.gz RINAOYZOCLXLRJ-BGTYHANMSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001096344687 1218256396 /nfs/dbraw/zinc/25/63/96/1218256396.db2.gz RINAOYZOCLXLRJ-BGTYHANMSA-N 2 1 358.486 0.949 20 0 FCADMP Cn1ccc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001096344687 1218256403 /nfs/dbraw/zinc/25/64/03/1218256403.db2.gz RINAOYZOCLXLRJ-BGTYHANMSA-N 2 1 358.486 0.949 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001225346297 1225808238 /nfs/dbraw/zinc/80/82/38/1225808238.db2.gz LZCBJDQGMMAVGN-RBSFLKMASA-N 2 1 365.478 0.086 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[N@H+]1C ZINC001048827923 1218322663 /nfs/dbraw/zinc/32/26/63/1218322663.db2.gz NLCPCFHSFMXJBO-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048827923 1218322669 /nfs/dbraw/zinc/32/26/69/1218322669.db2.gz NLCPCFHSFMXJBO-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@H]3C2)CC[NH+]1C ZINC001048827923 1218322675 /nfs/dbraw/zinc/32/26/75/1218322675.db2.gz NLCPCFHSFMXJBO-RZFLPCETSA-N 2 1 362.518 0.728 20 0 FCADMP Cc1cnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048891556 1218336135 /nfs/dbraw/zinc/33/61/35/1218336135.db2.gz PRUYSLGTAIPBHV-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP Cc1cnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048891556 1218336142 /nfs/dbraw/zinc/33/61/42/1218336142.db2.gz PRUYSLGTAIPBHV-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP Cc1cnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048891556 1218336152 /nfs/dbraw/zinc/33/61/52/1218336152.db2.gz PRUYSLGTAIPBHV-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP Cc1cnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)cn1 ZINC001048891556 1218336158 /nfs/dbraw/zinc/33/61/58/1218336158.db2.gz PRUYSLGTAIPBHV-XLMAVXFVSA-N 2 1 359.474 0.394 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525136 1225815206 /nfs/dbraw/zinc/81/52/06/1225815206.db2.gz LXUQHQCKSQBAGQ-OAGGEKHMSA-N 2 1 369.510 0.042 20 0 FCADMP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525136 1225815207 /nfs/dbraw/zinc/81/52/07/1225815207.db2.gz LXUQHQCKSQBAGQ-OAGGEKHMSA-N 2 1 369.510 0.042 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524754 1225815210 /nfs/dbraw/zinc/81/52/10/1225815210.db2.gz JZCMSOYPXQYUBR-OAGGEKHMSA-N 2 1 368.522 0.639 20 0 FCADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524754 1225815214 /nfs/dbraw/zinc/81/52/14/1225815214.db2.gz JZCMSOYPXQYUBR-OAGGEKHMSA-N 2 1 368.522 0.639 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903508890 1218430642 /nfs/dbraw/zinc/43/06/42/1218430642.db2.gz YRMIKXYMNDRMGL-KDURUIRLSA-N 3 1 363.550 0.488 20 0 FCADMP CC[NH+]1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903508890 1218430654 /nfs/dbraw/zinc/43/06/54/1218430654.db2.gz YRMIKXYMNDRMGL-KDURUIRLSA-N 2 1 363.550 0.488 20 0 FCADMP C[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756282 1218517015 /nfs/dbraw/zinc/51/70/15/1218517015.db2.gz PTIZHXSUVUHZRW-HOTGVXAUSA-N 2 1 371.489 0.794 20 0 FCADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757603 1218517225 /nfs/dbraw/zinc/51/72/25/1218517225.db2.gz DVSUAIRUQHHLQW-CABCVRRESA-N 2 1 363.462 0.860 20 0 FCADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cnn1C ZINC000903935088 1218568116 /nfs/dbraw/zinc/56/81/16/1218568116.db2.gz MKKKGDFHKJZKCV-HNNXBMFYSA-N 2 1 355.486 0.932 20 0 FCADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226160039 1225835202 /nfs/dbraw/zinc/83/52/02/1225835202.db2.gz DJPSFWMIVJOGCH-RBSFLKMASA-N 2 1 367.494 0.332 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001097079608 1218683519 /nfs/dbraw/zinc/68/35/19/1218683519.db2.gz LWKHTVYLBQYEEU-VQHPVUNQSA-N 2 1 374.485 0.199 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001097085521 1218685624 /nfs/dbraw/zinc/68/56/24/1218685624.db2.gz HHVHOTHZSQIHBZ-VQHPVUNQSA-N 2 1 361.490 0.075 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315297 1218774134 /nfs/dbraw/zinc/77/41/34/1218774134.db2.gz SYYVWBUCWWFILW-WCXIOVBPSA-N 2 1 360.502 0.863 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001097315297 1218774138 /nfs/dbraw/zinc/77/41/38/1218774138.db2.gz SYYVWBUCWWFILW-WCXIOVBPSA-N 2 1 360.502 0.863 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001097551389 1218817767 /nfs/dbraw/zinc/81/77/67/1218817767.db2.gz IHRXCGUDQJDEOM-VQHPVUNQSA-N 2 1 358.446 0.171 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001097551389 1218817768 /nfs/dbraw/zinc/81/77/68/1218817768.db2.gz IHRXCGUDQJDEOM-VQHPVUNQSA-N 2 1 358.446 0.171 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111453936 1218837711 /nfs/dbraw/zinc/83/77/11/1218837711.db2.gz CPJVNFYOXWGLOT-LVQVYYBASA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001111453936 1218837713 /nfs/dbraw/zinc/83/77/13/1218837713.db2.gz CPJVNFYOXWGLOT-LVQVYYBASA-N 2 1 362.474 0.389 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C3)n1 ZINC001097854064 1218853011 /nfs/dbraw/zinc/85/30/11/1218853011.db2.gz UHEKSGYBHXFJLL-LIRZEXBASA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C3)n1 ZINC001097854064 1218853013 /nfs/dbraw/zinc/85/30/13/1218853013.db2.gz UHEKSGYBHXFJLL-LIRZEXBASA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C3)n1 ZINC001097854064 1218853015 /nfs/dbraw/zinc/85/30/15/1218853015.db2.gz UHEKSGYBHXFJLL-LIRZEXBASA-N 2 1 360.506 0.958 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@H+]1C ZINC001054134579 1218898906 /nfs/dbraw/zinc/89/89/06/1218898906.db2.gz IEZXFKCLDOGDPA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001054134579 1218898907 /nfs/dbraw/zinc/89/89/07/1218898907.db2.gz IEZXFKCLDOGDPA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001054134579 1218898908 /nfs/dbraw/zinc/89/89/08/1218898908.db2.gz IEZXFKCLDOGDPA-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001226766182 1225854085 /nfs/dbraw/zinc/85/40/85/1225854085.db2.gz IVSDXXSAMQCOOJ-RBSFLKMASA-N 2 1 367.494 0.176 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000826882998 1218909632 /nfs/dbraw/zinc/90/96/32/1218909632.db2.gz QSCQGLHKBRKOLL-IRXDYDNUSA-N 2 1 366.506 0.347 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001097976015 1219000955 /nfs/dbraw/zinc/00/09/55/1219000955.db2.gz OLZQOJSTPFZZSQ-WCVJEAGWSA-N 2 1 362.474 0.245 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001097976015 1219000957 /nfs/dbraw/zinc/00/09/57/1219000957.db2.gz OLZQOJSTPFZZSQ-WCVJEAGWSA-N 2 1 362.474 0.245 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028901 1225861412 /nfs/dbraw/zinc/86/14/12/1225861412.db2.gz RZURRAVSDGMHHR-QBPKDAKJSA-N 2 1 368.522 0.589 20 0 FCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028901 1225861413 /nfs/dbraw/zinc/86/14/13/1225861413.db2.gz RZURRAVSDGMHHR-QBPKDAKJSA-N 2 1 368.522 0.589 20 0 FCADMP CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055522754 1219067109 /nfs/dbraw/zinc/06/71/09/1219067109.db2.gz SBJJULPNXFENFX-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055522754 1219067115 /nfs/dbraw/zinc/06/71/15/1219067115.db2.gz SBJJULPNXFENFX-NVXWUHKLSA-N 2 1 368.522 0.593 20 0 FCADMP CCO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055529124 1219068973 /nfs/dbraw/zinc/06/89/73/1219068973.db2.gz NESQFMJVBPUXHH-HLLBOEOZSA-N 2 1 368.522 0.448 20 0 FCADMP CCCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055536791 1219071274 /nfs/dbraw/zinc/07/12/74/1219071274.db2.gz RPWIICQGVOZFJC-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227092341 1225863674 /nfs/dbraw/zinc/86/36/74/1225863674.db2.gz SORRBHCKZPNEFZ-ZACQAIPSSA-N 2 1 368.522 0.640 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001055577817 1219085425 /nfs/dbraw/zinc/08/54/25/1219085425.db2.gz BNJIQTDTCBYYNX-BPQIPLTHSA-N 2 1 362.518 0.681 20 0 FCADMP COC[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583613 1219087566 /nfs/dbraw/zinc/08/75/66/1219087566.db2.gz VDPVPJJUYZDVCV-BFYDXBDKSA-N 2 1 368.522 0.306 20 0 FCADMP CCCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583642 1219087728 /nfs/dbraw/zinc/08/77/28/1219087728.db2.gz WHACIDJDWIBESO-NVXWUHKLSA-N 2 1 368.522 0.450 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804054999 1219107792 /nfs/dbraw/zinc/10/77/92/1219107792.db2.gz CLHPJENZSYACBQ-CVEARBPZSA-N 2 1 363.462 0.019 20 0 FCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804054999 1219107796 /nfs/dbraw/zinc/10/77/96/1219107796.db2.gz CLHPJENZSYACBQ-CVEARBPZSA-N 2 1 363.462 0.019 20 0 FCADMP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000804058951 1219112410 /nfs/dbraw/zinc/11/24/10/1219112410.db2.gz HAVPZHMLZFKBSI-CVEARBPZSA-N 2 1 366.506 0.204 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070094759 1219164454 /nfs/dbraw/zinc/16/44/54/1219164454.db2.gz ASGODIMEQPSRGN-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070094759 1219164457 /nfs/dbraw/zinc/16/44/57/1219164457.db2.gz ASGODIMEQPSRGN-SJORKVTESA-N 2 1 362.478 0.142 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158300 1219244462 /nfs/dbraw/zinc/24/44/62/1219244462.db2.gz DZRMTGAIAYSIMM-PMPSAXMXSA-N 2 1 359.434 0.210 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158300 1219244469 /nfs/dbraw/zinc/24/44/69/1219244469.db2.gz DZRMTGAIAYSIMM-PMPSAXMXSA-N 2 1 359.434 0.210 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070158345 1219244539 /nfs/dbraw/zinc/24/45/39/1219244539.db2.gz GRGXXAJYBPBBDS-QRVBRYPASA-N 2 1 368.485 0.957 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224121 1219304895 /nfs/dbraw/zinc/30/48/95/1219304895.db2.gz OHEAYWRVANGVPN-CVEARBPZSA-N 2 1 364.494 0.265 20 0 FCADMP CCC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001070302374 1219360708 /nfs/dbraw/zinc/36/07/08/1219360708.db2.gz ONAWYXCZPOYCFN-SJORKVTESA-N 2 1 366.429 0.924 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326839 1219376937 /nfs/dbraw/zinc/37/69/37/1219376937.db2.gz FVRXGVFVUVEITO-ZACQAIPSSA-N 2 1 355.446 0.167 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001070354290 1219391009 /nfs/dbraw/zinc/39/10/09/1219391009.db2.gz BASRDDSAUWDADC-ZNMIVQPWSA-N 2 1 362.478 0.245 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001070354290 1219391012 /nfs/dbraw/zinc/39/10/12/1219391012.db2.gz BASRDDSAUWDADC-ZNMIVQPWSA-N 2 1 362.478 0.245 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001070354784 1219393099 /nfs/dbraw/zinc/39/30/99/1219393099.db2.gz VQSNLKAJKDXVET-KBXIAJHMSA-N 2 1 364.494 0.632 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001070354784 1219393104 /nfs/dbraw/zinc/39/31/04/1219393104.db2.gz VQSNLKAJKDXVET-KBXIAJHMSA-N 2 1 364.494 0.632 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070354784 1219393108 /nfs/dbraw/zinc/39/31/08/1219393108.db2.gz VQSNLKAJKDXVET-KBXIAJHMSA-N 2 1 364.494 0.632 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001070354784 1219393112 /nfs/dbraw/zinc/39/31/12/1219393112.db2.gz VQSNLKAJKDXVET-KBXIAJHMSA-N 2 1 364.494 0.632 20 0 FCADMP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001070354784 1219393116 /nfs/dbraw/zinc/39/31/16/1219393116.db2.gz VQSNLKAJKDXVET-KBXIAJHMSA-N 2 1 364.494 0.632 20 0 FCADMP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070367305 1219399374 /nfs/dbraw/zinc/39/93/74/1219399374.db2.gz OQNRXMSQJDBNQY-NUJGCVRESA-N 2 1 366.506 0.202 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCF)CC2)C1 ZINC001070381603 1219406294 /nfs/dbraw/zinc/40/62/94/1219406294.db2.gz KGAJSAMIDWBBPQ-GMBSWORKSA-N 2 1 368.497 0.773 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070475278 1219426143 /nfs/dbraw/zinc/42/61/43/1219426143.db2.gz LQLZPWNNJGCJKB-QXAKKESOSA-N 2 1 368.485 0.994 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953223 1225891575 /nfs/dbraw/zinc/89/15/75/1225891575.db2.gz DQWJPFKWKLAMBJ-KBAYOESNSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953223 1225891576 /nfs/dbraw/zinc/89/15/76/1225891576.db2.gz DQWJPFKWKLAMBJ-KBAYOESNSA-N 2 1 371.522 0.320 20 0 FCADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070499186 1219440457 /nfs/dbraw/zinc/44/04/57/1219440457.db2.gz GFWHPJPUVRSOCQ-SOLBZPMBSA-N 2 1 363.506 0.274 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070564099 1219471259 /nfs/dbraw/zinc/47/12/59/1219471259.db2.gz VBRXHVWEWZYEMR-UWWQBHOKSA-N 2 1 371.489 0.190 20 0 FCADMP CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)[NH+](CCO)C1 ZINC001070604681 1219481455 /nfs/dbraw/zinc/48/14/55/1219481455.db2.gz UEVXWEHEEUVONF-QKPAOTATSA-N 2 1 365.478 0.243 20 0 FCADMP CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)n2)[N@H+](CCO)C1 ZINC001070604681 1219481459 /nfs/dbraw/zinc/48/14/59/1219481459.db2.gz UEVXWEHEEUVONF-QKPAOTATSA-N 2 1 365.478 0.243 20 0 FCADMP CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)n2)[N@@H+](CCO)C1 ZINC001070604681 1219481462 /nfs/dbraw/zinc/48/14/62/1219481462.db2.gz UEVXWEHEEUVONF-QKPAOTATSA-N 2 1 365.478 0.243 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2c2cncn2C)n1 ZINC001070630001 1219495483 /nfs/dbraw/zinc/49/54/83/1219495483.db2.gz YHFUTCQDTNWOSL-ZACQAIPSSA-N 2 1 371.489 0.332 20 0 FCADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2c2cncn2C)n1 ZINC001070630001 1219495485 /nfs/dbraw/zinc/49/54/85/1219495485.db2.gz YHFUTCQDTNWOSL-ZACQAIPSSA-N 2 1 371.489 0.332 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228137749 1225896970 /nfs/dbraw/zinc/89/69/70/1225896970.db2.gz KYMRWPLNPAVLFP-RRFJBIMHSA-N 2 1 367.494 0.320 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070655337 1219510016 /nfs/dbraw/zinc/51/00/16/1219510016.db2.gz HCRXTWOWBJDKFK-GVDBMIGSSA-N 2 1 363.506 0.559 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168348 1225898102 /nfs/dbraw/zinc/89/81/02/1225898102.db2.gz ZFQFIVAJKYTBKQ-ZACQAIPSSA-N 2 1 368.522 0.637 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228168348 1225898105 /nfs/dbraw/zinc/89/81/05/1225898105.db2.gz ZFQFIVAJKYTBKQ-ZACQAIPSSA-N 2 1 368.522 0.637 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167817 1225898284 /nfs/dbraw/zinc/89/82/84/1225898284.db2.gz QDLCSWLNZFRRQG-KZNAEPCWSA-N 2 1 371.522 0.776 20 0 FCADMP COCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228167817 1225898285 /nfs/dbraw/zinc/89/82/85/1225898285.db2.gz QDLCSWLNZFRRQG-KZNAEPCWSA-N 2 1 371.522 0.776 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070719160 1219541317 /nfs/dbraw/zinc/54/13/17/1219541317.db2.gz UUNNFBPPJPOKNJ-CGTJXYLNSA-N 2 1 368.485 0.851 20 0 FCADMP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001070921070 1219577571 /nfs/dbraw/zinc/57/75/71/1219577571.db2.gz MRHFXORKLFPXCH-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001070921070 1219577574 /nfs/dbraw/zinc/57/75/74/1219577574.db2.gz MRHFXORKLFPXCH-ZACQAIPSSA-N 2 1 364.490 0.844 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001071051643 1219595195 /nfs/dbraw/zinc/59/51/95/1219595195.db2.gz IXRYBIPRCAFMGW-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001071051643 1219595199 /nfs/dbraw/zinc/59/51/99/1219595199.db2.gz IXRYBIPRCAFMGW-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001071051643 1219595203 /nfs/dbraw/zinc/59/52/03/1219595203.db2.gz IXRYBIPRCAFMGW-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001071051643 1219595207 /nfs/dbraw/zinc/59/52/07/1219595207.db2.gz IXRYBIPRCAFMGW-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071063224 1219597911 /nfs/dbraw/zinc/59/79/11/1219597911.db2.gz LBCLVEJOJYYTMI-FCEWJHQRSA-N 2 1 366.506 0.332 20 0 FCADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071062037 1219598038 /nfs/dbraw/zinc/59/80/38/1219598038.db2.gz GXWUXNBUAYBDKC-RYRKJORJSA-N 2 1 362.474 0.739 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)no1 ZINC001071066582 1219598837 /nfs/dbraw/zinc/59/88/37/1219598837.db2.gz POZNUXVHZVCVNX-WBVHZDCISA-N 2 1 366.462 0.328 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@@H+]1C ZINC001073605395 1219672326 /nfs/dbraw/zinc/67/23/26/1219672326.db2.gz JREAOUXIZMTLNY-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCC3)CCCO2)CC[N@H+]1C ZINC001073605395 1219672330 /nfs/dbraw/zinc/67/23/30/1219672330.db2.gz JREAOUXIZMTLNY-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073605395 1219672333 /nfs/dbraw/zinc/67/23/33/1219672333.db2.gz JREAOUXIZMTLNY-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)CCCO2)CC[NH+]1C ZINC001073605395 1219672337 /nfs/dbraw/zinc/67/23/37/1219672337.db2.gz JREAOUXIZMTLNY-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1)C12CC[NH+](CC1)C2 ZINC001098223243 1219743415 /nfs/dbraw/zinc/74/34/15/1219743415.db2.gz BWRNZYANKVGHBR-HZMVEIRTSA-N 2 1 360.502 0.720 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CCn3cccn3)CC2)CC[N@H+]1C ZINC001098370888 1219767692 /nfs/dbraw/zinc/76/76/92/1219767692.db2.gz ARYRUYDVPCZYJS-SJLPKXTDSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)CCn3cccn3)CC2)CC[NH+]1C ZINC001098370888 1219767696 /nfs/dbraw/zinc/76/76/96/1219767696.db2.gz ARYRUYDVPCZYJS-SJLPKXTDSA-N 2 1 363.506 0.509 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)CCn3cccn3)CC2)CC[NH+]1C ZINC001098370888 1219767700 /nfs/dbraw/zinc/76/77/00/1219767700.db2.gz ARYRUYDVPCZYJS-SJLPKXTDSA-N 2 1 363.506 0.509 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001098407605 1219774729 /nfs/dbraw/zinc/77/47/29/1219774729.db2.gz LYJWAZBJZPEUNB-HZMVEIRTSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001098407605 1219774733 /nfs/dbraw/zinc/77/47/33/1219774733.db2.gz LYJWAZBJZPEUNB-HZMVEIRTSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001098410419 1219775659 /nfs/dbraw/zinc/77/56/59/1219775659.db2.gz CJWASKKURWQAFJ-TWMKSMIVSA-N 2 1 358.446 0.171 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001098410419 1219775665 /nfs/dbraw/zinc/77/56/65/1219775665.db2.gz CJWASKKURWQAFJ-TWMKSMIVSA-N 2 1 358.446 0.171 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001098446972 1219784088 /nfs/dbraw/zinc/78/40/88/1219784088.db2.gz UJMPZOKNDRUKGJ-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2cnn(C)c2)C1 ZINC001098446972 1219784093 /nfs/dbraw/zinc/78/40/93/1219784093.db2.gz UJMPZOKNDRUKGJ-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2cnn(C)c2)C1 ZINC001098446972 1219784097 /nfs/dbraw/zinc/78/40/97/1219784097.db2.gz UJMPZOKNDRUKGJ-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2cnn(C)c2)C1 ZINC001098446972 1219784101 /nfs/dbraw/zinc/78/41/01/1219784101.db2.gz UJMPZOKNDRUKGJ-BDXSIMOUSA-N 2 1 361.490 0.405 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)CC[N@H+]1C ZINC001098844813 1219839375 /nfs/dbraw/zinc/83/93/75/1219839375.db2.gz JTHQZIJWSKLHAP-OLMMMNRUSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCN2CCNC2=O)C3)CC[NH+]1C ZINC001098844813 1219839380 /nfs/dbraw/zinc/83/93/80/1219839380.db2.gz JTHQZIJWSKLHAP-OLMMMNRUSA-N 2 1 363.506 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)CC[NH+]1C ZINC001098844813 1219839381 /nfs/dbraw/zinc/83/93/81/1219839381.db2.gz JTHQZIJWSKLHAP-OLMMMNRUSA-N 2 1 363.506 0.323 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001099058845 1219897603 /nfs/dbraw/zinc/89/76/03/1219897603.db2.gz NRAUTAMXHMBKLX-DOXZYTNZSA-N 2 1 359.474 0.866 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001099058845 1219897607 /nfs/dbraw/zinc/89/76/07/1219897607.db2.gz NRAUTAMXHMBKLX-DOXZYTNZSA-N 2 1 359.474 0.866 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCCNC2=O)C3)CC1 ZINC001099062754 1219898364 /nfs/dbraw/zinc/89/83/64/1219898364.db2.gz DFSWXBXDGULQDX-QKLQHJQFSA-N 2 1 362.518 0.968 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001099158580 1219935282 /nfs/dbraw/zinc/93/52/82/1219935282.db2.gz KSUAGAFXZLWDGU-LPHOPBHVSA-N 2 1 359.474 0.785 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001099158580 1219935286 /nfs/dbraw/zinc/93/52/86/1219935286.db2.gz KSUAGAFXZLWDGU-LPHOPBHVSA-N 2 1 359.474 0.785 20 0 FCADMP Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C3)n1 ZINC001099446642 1220000020 /nfs/dbraw/zinc/00/00/20/1220000020.db2.gz RCVJKFBKWIEGFL-LESCRADOSA-N 2 1 361.494 0.269 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099464848 1220006222 /nfs/dbraw/zinc/00/62/22/1220006222.db2.gz SOKIKPBUTYBABA-YJBOKZPZSA-N 2 1 357.462 0.739 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228603670 1225936184 /nfs/dbraw/zinc/93/61/84/1225936184.db2.gz RIBZVDGZZSGDEH-RBSFLKMASA-N 2 1 367.494 0.191 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001099497041 1220015220 /nfs/dbraw/zinc/01/52/20/1220015220.db2.gz PPQQRWMOBXEJES-MPGHIAIKSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001099497041 1220015228 /nfs/dbraw/zinc/01/52/28/1220015228.db2.gz PPQQRWMOBXEJES-MPGHIAIKSA-N 2 1 361.494 0.413 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001099499590 1220015465 /nfs/dbraw/zinc/01/54/65/1220015465.db2.gz KQNYVWQYVDIQBA-MPGHIAIKSA-N 2 1 361.494 0.270 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001099499590 1220015467 /nfs/dbraw/zinc/01/54/67/1220015467.db2.gz KQNYVWQYVDIQBA-MPGHIAIKSA-N 2 1 361.494 0.270 20 0 FCADMP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001099537316 1220027187 /nfs/dbraw/zinc/02/71/87/1220027187.db2.gz IQQJXOFCPUGGLJ-GJYPPUQNSA-N 2 1 360.506 0.968 20 0 FCADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)CC1 ZINC000755779527 1220148524 /nfs/dbraw/zinc/14/85/24/1220148524.db2.gz JQKVMBCYZUFNNM-MRXNPFEDSA-N 3 1 363.506 0.624 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)CC1 ZINC000755779527 1220148527 /nfs/dbraw/zinc/14/85/27/1220148527.db2.gz JQKVMBCYZUFNNM-MRXNPFEDSA-N 2 1 363.506 0.624 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257641 1220250557 /nfs/dbraw/zinc/25/05/57/1220250557.db2.gz FDKWXFDPCRSHCG-RYRKJORJSA-N 2 1 366.485 0.738 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257243 1220250592 /nfs/dbraw/zinc/25/05/92/1220250592.db2.gz LSLMBDDFXUPLFV-GJYPPUQNSA-N 2 1 370.513 0.925 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101257382 1220250715 /nfs/dbraw/zinc/25/07/15/1220250715.db2.gz RIENEEFBRSRMBS-ALKREAHSSA-N 2 1 368.497 0.725 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267593 1220256284 /nfs/dbraw/zinc/25/62/84/1220256284.db2.gz LQVUHLKDVDCXJU-NSHGMRRFSA-N 2 1 367.534 0.754 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267593 1220256290 /nfs/dbraw/zinc/25/62/90/1220256290.db2.gz LQVUHLKDVDCXJU-NSHGMRRFSA-N 2 1 367.534 0.754 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101267593 1220256295 /nfs/dbraw/zinc/25/62/95/1220256295.db2.gz LQVUHLKDVDCXJU-NSHGMRRFSA-N 2 1 367.534 0.754 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101267903 1220256715 /nfs/dbraw/zinc/25/67/15/1220256715.db2.gz XSDKAFFRJSOQIV-GJYPPUQNSA-N 2 1 362.474 0.550 20 0 FCADMP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101267903 1220256718 /nfs/dbraw/zinc/25/67/18/1220256718.db2.gz XSDKAFFRJSOQIV-GJYPPUQNSA-N 2 1 362.474 0.550 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341337 1220294516 /nfs/dbraw/zinc/29/45/16/1220294516.db2.gz GRBDNJCICVELNF-APWZRJJASA-N 2 1 364.534 0.881 20 0 FCADMP COc1coc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)cc1=O ZINC001101352846 1220298152 /nfs/dbraw/zinc/29/81/52/1220298152.db2.gz LZZOSMRCKFWAKR-KUHUBIRLSA-N 2 1 363.458 0.880 20 0 FCADMP COc1coc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)cc1=O ZINC001101352846 1220298157 /nfs/dbraw/zinc/29/81/57/1220298157.db2.gz LZZOSMRCKFWAKR-KUHUBIRLSA-N 2 1 363.458 0.880 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101351269 1220298281 /nfs/dbraw/zinc/29/82/81/1220298281.db2.gz AOHRPPCXAUAKHE-BEFAXECRSA-N 2 1 367.538 0.816 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364632 1220302781 /nfs/dbraw/zinc/30/27/81/1220302781.db2.gz WXPPWMZHFSJKKP-QKLQHJQFSA-N 2 1 364.534 0.975 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368651 1220305557 /nfs/dbraw/zinc/30/55/57/1220305557.db2.gz GESWSNPINDIDFS-UZLBHIALSA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368651 1220305559 /nfs/dbraw/zinc/30/55/59/1220305559.db2.gz GESWSNPINDIDFS-UZLBHIALSA-N 2 1 364.534 0.977 20 0 FCADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368651 1220305560 /nfs/dbraw/zinc/30/55/60/1220305560.db2.gz GESWSNPINDIDFS-UZLBHIALSA-N 2 1 364.534 0.977 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394119 1220321075 /nfs/dbraw/zinc/32/10/75/1220321075.db2.gz VZOYWIPOHUCBBO-GMBSWORKSA-N 2 1 361.490 0.887 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394119 1220321077 /nfs/dbraw/zinc/32/10/77/1220321077.db2.gz VZOYWIPOHUCBBO-GMBSWORKSA-N 2 1 361.490 0.887 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399991 1220323932 /nfs/dbraw/zinc/32/39/32/1220323932.db2.gz AZIVJDFRZPQGGI-MDZRGWNJSA-N 2 1 360.506 0.888 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401297 1220324411 /nfs/dbraw/zinc/32/44/11/1220324411.db2.gz RSSZCKWHOVYUAT-LMMKCTJWSA-N 2 1 363.506 0.366 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405505 1220327444 /nfs/dbraw/zinc/32/74/44/1220327444.db2.gz BLUKUPWYAIJUIH-BEFAXECRSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101418116 1220332930 /nfs/dbraw/zinc/33/29/30/1220332930.db2.gz AFHRFASJLIKTFP-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101418116 1220332933 /nfs/dbraw/zinc/33/29/33/1220332933.db2.gz AFHRFASJLIKTFP-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@]2(C)C1 ZINC001101418116 1220332936 /nfs/dbraw/zinc/33/29/36/1220332936.db2.gz AFHRFASJLIKTFP-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431283 1220339505 /nfs/dbraw/zinc/33/95/05/1220339505.db2.gz IEGLAWIBXNJATD-MJGOQNOKSA-N 2 1 363.506 0.587 20 0 FCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431211 1220340084 /nfs/dbraw/zinc/34/00/84/1220340084.db2.gz DQPIZUWJAVZAHM-MDZRGWNJSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001101431584 1220340949 /nfs/dbraw/zinc/34/09/49/1220340949.db2.gz UXSWPSZNCWIHRG-APWZRJJASA-N 2 1 360.502 0.389 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101459549 1220357782 /nfs/dbraw/zinc/35/77/82/1220357782.db2.gz IOPMXOPKJZCZSI-HLIPFELVSA-N 2 1 362.518 0.587 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101459549 1220357783 /nfs/dbraw/zinc/35/77/83/1220357783.db2.gz IOPMXOPKJZCZSI-HLIPFELVSA-N 2 1 362.518 0.587 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101459549 1220357786 /nfs/dbraw/zinc/35/77/86/1220357786.db2.gz IOPMXOPKJZCZSI-HLIPFELVSA-N 2 1 362.518 0.587 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461489 1220359184 /nfs/dbraw/zinc/35/91/84/1220359184.db2.gz DVXVYLBEOKMROO-GMBSWORKSA-N 2 1 361.490 0.887 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461489 1220359189 /nfs/dbraw/zinc/35/91/89/1220359189.db2.gz DVXVYLBEOKMROO-GMBSWORKSA-N 2 1 361.490 0.887 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983022 1220452446 /nfs/dbraw/zinc/45/24/46/1220452446.db2.gz XYGPHLVULUMXOC-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983022 1220452449 /nfs/dbraw/zinc/45/24/49/1220452449.db2.gz XYGPHLVULUMXOC-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983022 1220452453 /nfs/dbraw/zinc/45/24/53/1220452453.db2.gz XYGPHLVULUMXOC-QBPKDAKJSA-N 2 1 368.522 0.163 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015896 1220462593 /nfs/dbraw/zinc/46/25/93/1220462593.db2.gz UWJMLFQWJQOVKB-DJIMGWMZSA-N 2 1 370.513 0.877 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044922 1220475669 /nfs/dbraw/zinc/47/56/69/1220475669.db2.gz KOTMCVJZKWMFPO-BRWVUGGUSA-N 2 1 363.506 0.412 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046134 1220476130 /nfs/dbraw/zinc/47/61/30/1220476130.db2.gz OLGBYOCPMLDWPD-HZPDHXFCSA-N 2 1 367.538 0.862 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045220 1220476366 /nfs/dbraw/zinc/47/63/66/1220476366.db2.gz XMWZCBFKYIZBCE-BZUAXINKSA-N 2 1 361.490 0.923 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045220 1220476369 /nfs/dbraw/zinc/47/63/69/1220476369.db2.gz XMWZCBFKYIZBCE-BZUAXINKSA-N 2 1 361.490 0.923 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047370 1220476914 /nfs/dbraw/zinc/47/69/14/1220476914.db2.gz FADIHHHUXQCSKP-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047370 1220476918 /nfs/dbraw/zinc/47/69/18/1220476918.db2.gz FADIHHHUXQCSKP-OAGGEKHMSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051805 1220479008 /nfs/dbraw/zinc/47/90/08/1220479008.db2.gz NTGCQXFBOYZFFI-NUJGCVRESA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051805 1220479011 /nfs/dbraw/zinc/47/90/11/1220479011.db2.gz NTGCQXFBOYZFFI-NUJGCVRESA-N 2 1 363.506 0.412 20 0 FCADMP C[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051805 1220479013 /nfs/dbraw/zinc/47/90/13/1220479013.db2.gz NTGCQXFBOYZFFI-NUJGCVRESA-N 2 1 363.506 0.412 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059381 1220481943 /nfs/dbraw/zinc/48/19/43/1220481943.db2.gz MXNMCWRDCGZZJW-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059381 1220481944 /nfs/dbraw/zinc/48/19/44/1220481944.db2.gz MXNMCWRDCGZZJW-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059381 1220481946 /nfs/dbraw/zinc/48/19/46/1220481946.db2.gz MXNMCWRDCGZZJW-KFWWJZLASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059382 1220482132 /nfs/dbraw/zinc/48/21/32/1220482132.db2.gz MXNMCWRDCGZZJW-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059382 1220482133 /nfs/dbraw/zinc/48/21/33/1220482133.db2.gz MXNMCWRDCGZZJW-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059382 1220482137 /nfs/dbraw/zinc/48/21/37/1220482137.db2.gz MXNMCWRDCGZZJW-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001102066046 1220484517 /nfs/dbraw/zinc/48/45/17/1220484517.db2.gz CTQOTDCQEMPIAI-RKVPGOIHSA-N 2 1 366.506 0.406 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102104288 1220497268 /nfs/dbraw/zinc/49/72/68/1220497268.db2.gz NYXOWZMHDVZLFI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102104288 1220497269 /nfs/dbraw/zinc/49/72/69/1220497269.db2.gz NYXOWZMHDVZLFI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102104288 1220497270 /nfs/dbraw/zinc/49/72/70/1220497270.db2.gz NYXOWZMHDVZLFI-HZPDHXFCSA-N 2 1 368.522 0.260 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109401 1220501462 /nfs/dbraw/zinc/50/14/62/1220501462.db2.gz JOBKPHBWGAWCHC-UNEWFSDZSA-N 2 1 360.458 0.948 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185497 1220540617 /nfs/dbraw/zinc/54/06/17/1220540617.db2.gz FGYGQNZWVSPVKZ-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185497 1220540625 /nfs/dbraw/zinc/54/06/25/1220540625.db2.gz FGYGQNZWVSPVKZ-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185882 1220540746 /nfs/dbraw/zinc/54/07/46/1220540746.db2.gz YIBPGRQIBPBDEA-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185882 1220540752 /nfs/dbraw/zinc/54/07/52/1220540752.db2.gz YIBPGRQIBPBDEA-KYJSFNMBSA-N 2 1 360.506 0.874 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287101 1220574077 /nfs/dbraw/zinc/57/40/77/1220574077.db2.gz MHRFGFAXWSRWAX-NVXWUHKLSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290417 1220575469 /nfs/dbraw/zinc/57/54/69/1220575469.db2.gz DGTQGZAJOSUMST-BRWVUGGUSA-N 2 1 363.506 0.270 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290357 1220576040 /nfs/dbraw/zinc/57/60/40/1220576040.db2.gz ACBMLPFTLYBHMG-BZUAXINKSA-N 2 1 360.506 0.791 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320659 1220581887 /nfs/dbraw/zinc/58/18/87/1220581887.db2.gz NCMASVFXQRISIP-BRWVUGGUSA-N 2 1 367.490 0.793 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330322 1220584378 /nfs/dbraw/zinc/58/43/78/1220584378.db2.gz OTFVKMCERCJEJS-KBAYOESNSA-N 2 1 370.538 0.409 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](CC)CC ZINC001102357877 1220591022 /nfs/dbraw/zinc/59/10/22/1220591022.db2.gz MXDHTIRWYAKVMK-KFWWJZLASA-N 2 1 369.510 0.247 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102419589 1220617017 /nfs/dbraw/zinc/61/70/17/1220617017.db2.gz MUSKRXLRZAJWJE-HZPDHXFCSA-N 2 1 359.478 0.982 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102419589 1220617021 /nfs/dbraw/zinc/61/70/21/1220617021.db2.gz MUSKRXLRZAJWJE-HZPDHXFCSA-N 2 1 359.478 0.982 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427471 1220622299 /nfs/dbraw/zinc/62/22/99/1220622299.db2.gz VSQNFQXFIYPVHS-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427471 1220622303 /nfs/dbraw/zinc/62/23/03/1220622303.db2.gz VSQNFQXFIYPVHS-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102427471 1220622306 /nfs/dbraw/zinc/62/23/06/1220622306.db2.gz VSQNFQXFIYPVHS-RBSFLKMASA-N 2 1 367.494 0.128 20 0 FCADMP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464589 1220636235 /nfs/dbraw/zinc/63/62/35/1220636235.db2.gz XQRTYTFBWPLQMH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102464589 1220636238 /nfs/dbraw/zinc/63/62/38/1220636238.db2.gz XQRTYTFBWPLQMH-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467009 1220637635 /nfs/dbraw/zinc/63/76/35/1220637635.db2.gz CVZJICSVYXAOPE-NVXWUHKLSA-N 2 1 363.506 0.635 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467009 1220637636 /nfs/dbraw/zinc/63/76/36/1220637636.db2.gz CVZJICSVYXAOPE-NVXWUHKLSA-N 2 1 363.506 0.635 20 0 FCADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001102473706 1220644088 /nfs/dbraw/zinc/64/40/88/1220644088.db2.gz LQAADWQVULHFJB-ZIAGYGMSSA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229135516 1225982236 /nfs/dbraw/zinc/98/22/36/1225982236.db2.gz OORABMKOOFINTJ-IAGOWNOFSA-N 2 1 368.522 0.642 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486706 1220650357 /nfs/dbraw/zinc/65/03/57/1220650357.db2.gz RCQCPYSXPCDODR-HZPDHXFCSA-N 2 1 364.494 0.073 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488880 1220652448 /nfs/dbraw/zinc/65/24/48/1220652448.db2.gz LNAXULDNBGVVOR-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142461 1225983559 /nfs/dbraw/zinc/98/35/59/1225983559.db2.gz UMZRXCKZZGXEOC-IAGOWNOFSA-N 2 1 368.522 0.642 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)cn1 ZINC001102511149 1220669971 /nfs/dbraw/zinc/66/99/71/1220669971.db2.gz LNTXFABUCPMZFK-NVXWUHKLSA-N 2 1 364.490 0.853 20 0 FCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511085 1220670033 /nfs/dbraw/zinc/67/00/33/1220670033.db2.gz IODCVUISLMPEKC-BRWVUGGUSA-N 2 1 370.538 0.409 20 0 FCADMP COc1cccc(C[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511072 1220670102 /nfs/dbraw/zinc/67/01/02/1220670102.db2.gz IAMAXROVMPMDOR-HZPDHXFCSA-N 2 1 364.490 0.853 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513813 1220671762 /nfs/dbraw/zinc/67/17/62/1220671762.db2.gz BYLUFUZSAVUZLP-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513813 1220671763 /nfs/dbraw/zinc/67/17/63/1220671763.db2.gz BYLUFUZSAVUZLP-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513813 1220671768 /nfs/dbraw/zinc/67/17/68/1220671768.db2.gz BYLUFUZSAVUZLP-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513813 1220671770 /nfs/dbraw/zinc/67/17/70/1220671770.db2.gz BYLUFUZSAVUZLP-RBSFLKMASA-N 2 1 364.494 0.662 20 0 FCADMP CCc1nnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513250 1220672469 /nfs/dbraw/zinc/67/24/69/1220672469.db2.gz BQUOZTJJXNCMEI-QLFBSQMISA-N 2 1 367.494 0.955 20 0 FCADMP CCc1nnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)o1 ZINC001102513250 1220672470 /nfs/dbraw/zinc/67/24/70/1220672470.db2.gz BQUOZTJJXNCMEI-QLFBSQMISA-N 2 1 367.494 0.955 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513770 1220672808 /nfs/dbraw/zinc/67/28/08/1220672808.db2.gz AJOZXCFPWDQBQE-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513770 1220672811 /nfs/dbraw/zinc/67/28/11/1220672811.db2.gz AJOZXCFPWDQBQE-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513770 1220672814 /nfs/dbraw/zinc/67/28/14/1220672814.db2.gz AJOZXCFPWDQBQE-KBAYOESNSA-N 2 1 364.534 0.881 20 0 FCADMP CCCC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001229142637 1225983954 /nfs/dbraw/zinc/98/39/54/1225983954.db2.gz WXDFVGONQBIJIY-ZACQAIPSSA-N 2 1 368.522 0.770 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579837 1220701159 /nfs/dbraw/zinc/70/11/59/1220701159.db2.gz SATSFWYXKBKYOS-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102579328 1220701749 /nfs/dbraw/zinc/70/17/49/1220701749.db2.gz SCKWUXPGGOMHEI-CKEIUWERSA-N 2 1 361.490 0.790 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1C ZINC001102579328 1220701752 /nfs/dbraw/zinc/70/17/52/1220701752.db2.gz SCKWUXPGGOMHEI-CKEIUWERSA-N 2 1 361.490 0.790 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C ZINC001102580982 1220702802 /nfs/dbraw/zinc/70/28/02/1220702802.db2.gz TZRQMWGZGRGZOU-IXDOHACOSA-N 2 1 363.506 0.573 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599035 1220720620 /nfs/dbraw/zinc/72/06/20/1220720620.db2.gz MBMBCAUHIASEJF-HUUCEWRRSA-N 2 1 364.494 0.169 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599896 1220721518 /nfs/dbraw/zinc/72/15/18/1220721518.db2.gz CIMLHBGBMYYNEP-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599896 1220721531 /nfs/dbraw/zinc/72/15/31/1220721531.db2.gz CIMLHBGBMYYNEP-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102599896 1220721540 /nfs/dbraw/zinc/72/15/40/1220721540.db2.gz CIMLHBGBMYYNEP-RBSFLKMASA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612976 1220730788 /nfs/dbraw/zinc/73/07/88/1220730788.db2.gz GRAFWMYAXYGUQW-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612976 1220730794 /nfs/dbraw/zinc/73/07/94/1220730794.db2.gz GRAFWMYAXYGUQW-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612976 1220730797 /nfs/dbraw/zinc/73/07/97/1220730797.db2.gz GRAFWMYAXYGUQW-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102612976 1220730798 /nfs/dbraw/zinc/73/07/98/1220730798.db2.gz GRAFWMYAXYGUQW-SJLPKXTDSA-N 2 1 360.502 0.939 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001102819641 1220791140 /nfs/dbraw/zinc/79/11/40/1220791140.db2.gz YDZHHKOBFJYENS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001102819641 1220791147 /nfs/dbraw/zinc/79/11/47/1220791147.db2.gz YDZHHKOBFJYENS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)ncn1 ZINC001102819641 1220791151 /nfs/dbraw/zinc/79/11/51/1220791151.db2.gz YDZHHKOBFJYENS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ncn1 ZINC001102819641 1220791157 /nfs/dbraw/zinc/79/11/57/1220791157.db2.gz YDZHHKOBFJYENS-QGPMSJSTSA-N 2 1 361.490 0.690 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819224 1220791418 /nfs/dbraw/zinc/79/14/18/1220791418.db2.gz QEPROOWAXJYMQN-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819224 1220791424 /nfs/dbraw/zinc/79/14/24/1220791424.db2.gz QEPROOWAXJYMQN-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819224 1220791436 /nfs/dbraw/zinc/79/14/36/1220791436.db2.gz QEPROOWAXJYMQN-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819224 1220791447 /nfs/dbraw/zinc/79/14/47/1220791447.db2.gz QEPROOWAXJYMQN-ZACQAIPSSA-N 2 1 368.522 0.163 20 0 FCADMP COCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085136 1220831296 /nfs/dbraw/zinc/83/12/96/1220831296.db2.gz HGQWXUHBZSUJMH-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP COCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001103085136 1220831297 /nfs/dbraw/zinc/83/12/97/1220831297.db2.gz HGQWXUHBZSUJMH-KURKYZTESA-N 2 1 365.522 0.924 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162837 1220842512 /nfs/dbraw/zinc/84/25/12/1220842512.db2.gz LXEKNGWSXPXHBX-OWCLPIDISA-N 2 1 361.490 0.856 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103234158 1220854712 /nfs/dbraw/zinc/85/47/12/1220854712.db2.gz CXZHMIDRHNPNON-FVQBIDKESA-N 2 1 361.490 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001103234158 1220854713 /nfs/dbraw/zinc/85/47/13/1220854713.db2.gz CXZHMIDRHNPNON-FVQBIDKESA-N 2 1 361.490 0.933 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103234605 1220854780 /nfs/dbraw/zinc/85/47/80/1220854780.db2.gz YATQHZIOWMEYRU-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103234605 1220854781 /nfs/dbraw/zinc/85/47/81/1220854781.db2.gz YATQHZIOWMEYRU-RHSMWYFYSA-N 2 1 361.490 0.792 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103233452 1220855176 /nfs/dbraw/zinc/85/51/76/1220855176.db2.gz LIHNFMOZVXFJCE-YUELXQCFSA-N 2 1 361.446 0.071 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103233452 1220855178 /nfs/dbraw/zinc/85/51/78/1220855178.db2.gz LIHNFMOZVXFJCE-YUELXQCFSA-N 2 1 361.446 0.071 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103435931 1220882454 /nfs/dbraw/zinc/88/24/54/1220882454.db2.gz DRYRZQMQDYUZPZ-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103435931 1220882458 /nfs/dbraw/zinc/88/24/58/1220882458.db2.gz DRYRZQMQDYUZPZ-VNQPRFMTSA-N 2 1 361.490 0.574 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C)[NH+](C)C ZINC001103444777 1220884573 /nfs/dbraw/zinc/88/45/73/1220884573.db2.gz JHFDAEORNVRKOK-FMKPAKJESA-N 2 1 363.510 0.922 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C)[NH+](C)C ZINC001103444777 1220884574 /nfs/dbraw/zinc/88/45/74/1220884574.db2.gz JHFDAEORNVRKOK-FMKPAKJESA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103483446 1220889378 /nfs/dbraw/zinc/88/93/78/1220889378.db2.gz CNQDPEXNSMNHJV-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103483446 1220889380 /nfs/dbraw/zinc/88/93/80/1220889380.db2.gz CNQDPEXNSMNHJV-BZUAXINKSA-N 2 1 361.490 0.969 20 0 FCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537070 1220896922 /nfs/dbraw/zinc/89/69/22/1220896922.db2.gz QMKLVRMDCMWEIN-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537070 1220896925 /nfs/dbraw/zinc/89/69/25/1220896925.db2.gz QMKLVRMDCMWEIN-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537186 1220897287 /nfs/dbraw/zinc/89/72/87/1220897287.db2.gz XXYALDBWDSCGDS-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537186 1220897288 /nfs/dbraw/zinc/89/72/88/1220897288.db2.gz XXYALDBWDSCGDS-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537005 1220897552 /nfs/dbraw/zinc/89/75/52/1220897552.db2.gz MZGBWAASHYCEEO-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537005 1220897554 /nfs/dbraw/zinc/89/75/54/1220897554.db2.gz MZGBWAASHYCEEO-ZACQAIPSSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001103583649 1220907166 /nfs/dbraw/zinc/90/71/66/1220907166.db2.gz ZSJRENCGKNSZER-ZIAGYGMSSA-N 2 1 356.430 0.440 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001103583649 1220907168 /nfs/dbraw/zinc/90/71/68/1220907168.db2.gz ZSJRENCGKNSZER-ZIAGYGMSSA-N 2 1 356.430 0.440 20 0 FCADMP C[C@H](c1nncn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643189 1220926051 /nfs/dbraw/zinc/92/60/51/1220926051.db2.gz GGXLYXIBKQWYNP-BZUAXINKSA-N 2 1 366.510 0.529 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643968 1220926689 /nfs/dbraw/zinc/92/66/89/1220926689.db2.gz ZQUPFTJQORISDK-NVXWUHKLSA-N 2 1 368.522 0.165 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646680 1220927471 /nfs/dbraw/zinc/92/74/71/1220927471.db2.gz FKXDCAHJWMBLIT-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP CCn1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001103646808 1220927475 /nfs/dbraw/zinc/92/74/75/1220927475.db2.gz GYVFFCQGRVGMAG-HZPDHXFCSA-N 2 1 360.506 0.968 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646879 1220927999 /nfs/dbraw/zinc/92/79/99/1220927999.db2.gz KCLMJGCRHXWUOD-RBSFLKMASA-N 2 1 361.494 0.441 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646879 1220928001 /nfs/dbraw/zinc/92/80/01/1220928001.db2.gz KCLMJGCRHXWUOD-RBSFLKMASA-N 2 1 361.494 0.441 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103724919 1220954029 /nfs/dbraw/zinc/95/40/29/1220954029.db2.gz ZJPUNQWGBCBWLS-BRWVUGGUSA-N 2 1 368.522 0.117 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001103742839 1220961118 /nfs/dbraw/zinc/96/11/18/1220961118.db2.gz YLONLXNHTGOTRM-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001103742839 1220961123 /nfs/dbraw/zinc/96/11/23/1220961123.db2.gz YLONLXNHTGOTRM-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001103742839 1220961127 /nfs/dbraw/zinc/96/11/27/1220961127.db2.gz YLONLXNHTGOTRM-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001103742839 1220961134 /nfs/dbraw/zinc/96/11/34/1220961134.db2.gz YLONLXNHTGOTRM-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001103999486 1220996576 /nfs/dbraw/zinc/99/65/76/1220996576.db2.gz AGFKPCRNFQHHCF-OAGGEKHMSA-N 2 1 366.485 0.916 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104032248 1221000267 /nfs/dbraw/zinc/00/02/67/1221000267.db2.gz LTLLSSXRFOOCDZ-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104032248 1221000272 /nfs/dbraw/zinc/00/02/72/1221000272.db2.gz LTLLSSXRFOOCDZ-BFYDXBDKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104033926 1221001256 /nfs/dbraw/zinc/00/12/56/1221001256.db2.gz LRNDZFHPKFFQRW-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104033926 1221001261 /nfs/dbraw/zinc/00/12/61/1221001261.db2.gz LRNDZFHPKFFQRW-BZUAXINKSA-N 2 1 368.522 0.306 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001104210831 1221022177 /nfs/dbraw/zinc/02/21/77/1221022177.db2.gz DBWQUCIIBQHMIW-JOCBIADPSA-N 2 1 364.534 0.927 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779005 1221104858 /nfs/dbraw/zinc/10/48/58/1221104858.db2.gz SMLHAQPRJQPZFM-LXIYXOSZSA-N 2 1 365.478 0.025 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779005 1221104861 /nfs/dbraw/zinc/10/48/61/1221104861.db2.gz SMLHAQPRJQPZFM-LXIYXOSZSA-N 2 1 365.478 0.025 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779005 1221104862 /nfs/dbraw/zinc/10/48/62/1221104862.db2.gz SMLHAQPRJQPZFM-LXIYXOSZSA-N 2 1 365.478 0.025 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807784 1221121065 /nfs/dbraw/zinc/12/10/65/1221121065.db2.gz DSBDUNNHZLKWCG-IEZWGBDMSA-N 2 1 358.442 0.926 20 0 FCADMP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001111817233 1221125472 /nfs/dbraw/zinc/12/54/72/1221125472.db2.gz VQUCQZZGOXTNQY-NSHGMRRFSA-N 2 1 365.518 0.840 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCN2CCNC2=O)C3)CC1 ZINC001111855567 1221137628 /nfs/dbraw/zinc/13/76/28/1221137628.db2.gz BOWFTGSLSFGCQF-KXBFYZLASA-N 2 1 363.506 0.324 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857936 1221138308 /nfs/dbraw/zinc/13/83/08/1221138308.db2.gz GGYFPJDULWWNFE-DEYYWGMASA-N 2 1 367.494 0.143 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC001111861263 1221140666 /nfs/dbraw/zinc/14/06/66/1221140666.db2.gz DMALIPGRZYHHMF-FCEWJHQRSA-N 2 1 366.506 0.204 20 0 FCADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC001111861263 1221140667 /nfs/dbraw/zinc/14/06/67/1221140667.db2.gz DMALIPGRZYHHMF-FCEWJHQRSA-N 2 1 366.506 0.204 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903889 1221158758 /nfs/dbraw/zinc/15/87/58/1221158758.db2.gz VNWZFJFNHODGLX-LNLFQRSKSA-N 2 1 364.490 0.950 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903889 1221158761 /nfs/dbraw/zinc/15/87/61/1221158761.db2.gz VNWZFJFNHODGLX-LNLFQRSKSA-N 2 1 364.490 0.950 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938025 1221178523 /nfs/dbraw/zinc/17/85/23/1221178523.db2.gz HXDPKDASQXUYSJ-LPHOPBHVSA-N 2 1 368.522 0.404 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001111949348 1221182325 /nfs/dbraw/zinc/18/23/25/1221182325.db2.gz ZZEMPSLMFLIRRY-KSSFIOAISA-N 2 1 364.494 0.311 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001111949348 1221182329 /nfs/dbraw/zinc/18/23/29/1221182329.db2.gz ZZEMPSLMFLIRRY-KSSFIOAISA-N 2 1 364.494 0.311 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)C1 ZINC001112291478 1221232516 /nfs/dbraw/zinc/23/25/16/1221232516.db2.gz MHVHFIBRKSNQKH-LNLFQRSKSA-N 2 1 361.490 0.432 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cccn3)C2)C1 ZINC001112291478 1221232525 /nfs/dbraw/zinc/23/25/25/1221232525.db2.gz MHVHFIBRKSNQKH-LNLFQRSKSA-N 2 1 361.490 0.432 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001112397207 1221252207 /nfs/dbraw/zinc/25/22/07/1221252207.db2.gz WZVOPARXDCBSLC-ZWOKBUDYSA-N 2 1 364.534 0.929 20 0 FCADMP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112442045 1221260417 /nfs/dbraw/zinc/26/04/17/1221260417.db2.gz HGBZCUJBYNYQJJ-UGSOOPFHSA-N 2 1 363.462 0.314 20 0 FCADMP Cn1c2ncn(CC[N@H+]3CCCC4(CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000799178409 1221303961 /nfs/dbraw/zinc/30/39/61/1221303961.db2.gz QQYNPHSFDJUFOL-UHFFFAOYSA-N 2 1 374.489 0.242 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cnnn3C)CCCCC2)O1 ZINC001115593973 1221317222 /nfs/dbraw/zinc/31/72/22/1221317222.db2.gz SJAZHFPHCMAMMN-GDBMZVCRSA-N 2 1 364.494 0.443 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cnnn3C)CCCCC2)O1 ZINC001115593973 1221317226 /nfs/dbraw/zinc/31/72/26/1221317226.db2.gz SJAZHFPHCMAMMN-GDBMZVCRSA-N 2 1 364.494 0.443 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001116953027 1221407602 /nfs/dbraw/zinc/40/76/02/1221407602.db2.gz KSPYUXZMGVVNEB-SJORKVTESA-N 2 1 372.513 0.960 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC001116953027 1221407605 /nfs/dbraw/zinc/40/76/05/1221407605.db2.gz KSPYUXZMGVVNEB-SJORKVTESA-N 2 1 372.513 0.960 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC001116966014 1221412137 /nfs/dbraw/zinc/41/21/37/1221412137.db2.gz URSHIGXMKJAXMD-MRXNPFEDSA-N 2 1 370.457 0.602 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061346 1221451023 /nfs/dbraw/zinc/45/10/23/1221451023.db2.gz ALNIFGCTMHYWIQ-KRWDZBQOSA-N 2 1 370.497 0.555 20 0 FCADMP Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001117076273 1221456828 /nfs/dbraw/zinc/45/68/28/1221456828.db2.gz NCQJOLLMYYXZPB-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001117076273 1221456836 /nfs/dbraw/zinc/45/68/36/1221456836.db2.gz NCQJOLLMYYXZPB-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001117076273 1221456844 /nfs/dbraw/zinc/45/68/44/1221456844.db2.gz NCQJOLLMYYXZPB-OIISXLGYSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC001117327940 1221519380 /nfs/dbraw/zinc/51/93/80/1221519380.db2.gz ORULZUMYVZHQHJ-GOEBONIOSA-N 2 1 359.474 0.907 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC001117327940 1221519385 /nfs/dbraw/zinc/51/93/85/1221519385.db2.gz ORULZUMYVZHQHJ-GOEBONIOSA-N 2 1 359.474 0.907 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001230138128 1226056730 /nfs/dbraw/zinc/05/67/30/1226056730.db2.gz GYAVCBMUGBHQRR-USXIJHARSA-N 2 1 366.506 0.250 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001230138677 1226057195 /nfs/dbraw/zinc/05/71/95/1226057195.db2.gz QEVDVUDNJYBGGW-RRFJBIMHSA-N 2 1 363.462 0.890 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001230147772 1226057846 /nfs/dbraw/zinc/05/78/46/1226057846.db2.gz PKOYFOAMMMHXOZ-GVDBMIGSSA-N 2 1 360.462 0.466 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001118506864 1221791244 /nfs/dbraw/zinc/79/12/44/1221791244.db2.gz SYJCAFJJYWJIBF-UHFFFAOYSA-N 2 1 358.450 0.335 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284951 1226071662 /nfs/dbraw/zinc/07/16/62/1226071662.db2.gz YTZPGPYEFSEFKM-HUUCEWRRSA-N 2 1 369.510 0.579 20 0 FCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118678843 1221818270 /nfs/dbraw/zinc/81/82/70/1221818270.db2.gz RVLIQIMJNLDQOV-IAGOWNOFSA-N 2 1 364.490 0.053 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC001119353908 1221904485 /nfs/dbraw/zinc/90/44/85/1221904485.db2.gz UWMACYXFCLCNKU-ZACQAIPSSA-N 2 1 368.522 0.450 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC001119412115 1221913715 /nfs/dbraw/zinc/91/37/15/1221913715.db2.gz QVCVLURFKPFUOE-BRWVUGGUSA-N 2 1 368.522 0.579 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119424867 1221915675 /nfs/dbraw/zinc/91/56/75/1221915675.db2.gz LHAUXQYGUDJFNP-ZWKOTPCHSA-N 2 1 369.554 0.798 20 0 FCADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119425637 1221915951 /nfs/dbraw/zinc/91/59/51/1221915951.db2.gz ZVEQNIJHMYCIQK-WMZOPIPTSA-N 2 1 367.538 0.552 20 0 FCADMP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119425636 1221916161 /nfs/dbraw/zinc/91/61/61/1221916161.db2.gz ZVEQNIJHMYCIQK-SJLPKXTDSA-N 2 1 367.538 0.552 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001119427178 1221916532 /nfs/dbraw/zinc/91/65/32/1221916532.db2.gz HPDWSNYFHXRNEQ-KZNAEPCWSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001119427178 1221916537 /nfs/dbraw/zinc/91/65/37/1221916537.db2.gz HPDWSNYFHXRNEQ-KZNAEPCWSA-N 2 1 358.486 0.963 20 0 FCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 ZINC001120511666 1222097669 /nfs/dbraw/zinc/09/76/69/1222097669.db2.gz SLIHEYQERGFHHX-GDBMZVCRSA-N 2 1 355.398 0.665 20 0 FCADMP CCN1CCC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1=O ZINC001120560192 1222104501 /nfs/dbraw/zinc/10/45/01/1222104501.db2.gz HIHQLTTULKLBSO-BBWFWOEESA-N 2 1 363.506 0.608 20 0 FCADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001121012557 1222138826 /nfs/dbraw/zinc/13/88/26/1222138826.db2.gz FLLFFTADPIZEST-HNNXBMFYSA-N 2 1 364.494 0.572 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001121012557 1222138829 /nfs/dbraw/zinc/13/88/29/1222138829.db2.gz FLLFFTADPIZEST-HNNXBMFYSA-N 2 1 364.494 0.572 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC001121898330 1222220635 /nfs/dbraw/zinc/22/06/35/1222220635.db2.gz WZJHNZGSBKFATQ-KSSFIOAISA-N 2 1 372.469 0.922 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825894 1222359909 /nfs/dbraw/zinc/35/99/09/1222359909.db2.gz WGZDUGXFRUNCMY-PBHICJAKSA-N 2 1 359.474 0.305 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001123825895 1222360475 /nfs/dbraw/zinc/36/04/75/1222360475.db2.gz WGZDUGXFRUNCMY-RHSMWYFYSA-N 2 1 359.474 0.305 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)CC3)CC1 ZINC001231700959 1226118630 /nfs/dbraw/zinc/11/86/30/1226118630.db2.gz KGZKNJIYAUIHOZ-UHFFFAOYSA-N 2 1 371.445 0.030 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CC3)CC1 ZINC001231700959 1226118633 /nfs/dbraw/zinc/11/86/33/1226118633.db2.gz KGZKNJIYAUIHOZ-UHFFFAOYSA-N 2 1 371.445 0.030 20 0 FCADMP CCC[C@H]1CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001123886521 1222363448 /nfs/dbraw/zinc/36/34/48/1222363448.db2.gz QPPGUNKYXKSEQI-ROUUACIJSA-N 2 1 369.554 0.765 20 0 FCADMP CN1CCN(c2ncnc3c2CC[N@@H+](Cc2ncccc2O)CC3)CC1 ZINC001138393194 1222504472 /nfs/dbraw/zinc/50/44/72/1222504472.db2.gz KKVULKXBOKNZGU-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ncccc2O)CC3)CC1 ZINC001138393194 1222504474 /nfs/dbraw/zinc/50/44/74/1222504474.db2.gz KKVULKXBOKNZGU-UHFFFAOYSA-N 2 1 354.458 0.930 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138465632 1222509651 /nfs/dbraw/zinc/50/96/51/1222509651.db2.gz QROBRFTXNGDBSI-CABCVRRESA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138465632 1222509656 /nfs/dbraw/zinc/50/96/56/1222509656.db2.gz QROBRFTXNGDBSI-CABCVRRESA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138465632 1222509660 /nfs/dbraw/zinc/50/96/60/1222509660.db2.gz QROBRFTXNGDBSI-CABCVRRESA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138465632 1222509665 /nfs/dbraw/zinc/50/96/65/1222509665.db2.gz QROBRFTXNGDBSI-CABCVRRESA-N 2 1 358.446 0.884 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001138466776 1222510836 /nfs/dbraw/zinc/51/08/36/1222510836.db2.gz VBOMOZLLEOXUPK-IPYPFGDCSA-N 2 1 359.434 0.383 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001138466776 1222510840 /nfs/dbraw/zinc/51/08/40/1222510840.db2.gz VBOMOZLLEOXUPK-IPYPFGDCSA-N 2 1 359.434 0.383 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001138466776 1222510843 /nfs/dbraw/zinc/51/08/43/1222510843.db2.gz VBOMOZLLEOXUPK-IPYPFGDCSA-N 2 1 359.434 0.383 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001138466776 1222510844 /nfs/dbraw/zinc/51/08/44/1222510844.db2.gz VBOMOZLLEOXUPK-IPYPFGDCSA-N 2 1 359.434 0.383 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4nonc4c3)CC[C@@H]2C1 ZINC001139221698 1222544615 /nfs/dbraw/zinc/54/46/15/1222544615.db2.gz LQNKQEVDFRMFOV-CRAIPNDOSA-N 2 1 373.457 0.834 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@@H]2C1 ZINC001139221698 1222544619 /nfs/dbraw/zinc/54/46/19/1222544619.db2.gz LQNKQEVDFRMFOV-CRAIPNDOSA-N 2 1 373.457 0.834 20 0 FCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@@H]2C1 ZINC001139221698 1222544624 /nfs/dbraw/zinc/54/46/24/1222544624.db2.gz LQNKQEVDFRMFOV-CRAIPNDOSA-N 2 1 373.457 0.834 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccc(F)n1)CC2 ZINC001140132429 1222567291 /nfs/dbraw/zinc/56/72/91/1222567291.db2.gz MXZMCTXYIAZIAI-UHFFFAOYSA-N 2 1 363.481 0.891 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000834605843 1222582341 /nfs/dbraw/zinc/58/23/41/1222582341.db2.gz VZZLJMMWVCAAOH-ZACQAIPSSA-N 2 1 368.522 0.545 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000834605843 1222582344 /nfs/dbraw/zinc/58/23/44/1222582344.db2.gz VZZLJMMWVCAAOH-ZACQAIPSSA-N 2 1 368.522 0.545 20 0 FCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841164468 1222811473 /nfs/dbraw/zinc/81/14/73/1222811473.db2.gz IJSQFXCQNPDANS-MRXNPFEDSA-N 2 1 359.474 0.635 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C[C@@H](C)O1 ZINC000842082568 1222835287 /nfs/dbraw/zinc/83/52/87/1222835287.db2.gz XYEKQGPPFDANDM-CLCXKQKWSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C[C@@H](C)O1 ZINC000842082575 1222835383 /nfs/dbraw/zinc/83/53/83/1222835383.db2.gz XYEKQGPPFDANDM-SPYBWZPUSA-N 2 1 366.506 0.345 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000842132453 1222836234 /nfs/dbraw/zinc/83/62/34/1222836234.db2.gz BXCBWDLAJOSQJP-LEUOFYLZSA-N 2 1 358.486 0.867 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cn1 ZINC000842161491 1222837725 /nfs/dbraw/zinc/83/77/25/1222837725.db2.gz DRJAJTXKBNQKAC-BBRMVZONSA-N 2 1 370.457 0.778 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CCC([NH3+])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842189759 1222839718 /nfs/dbraw/zinc/83/97/18/1222839718.db2.gz QFVGCSRTSLCKDY-FQEVSTJZSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000842191041 1222839848 /nfs/dbraw/zinc/83/98/48/1222839848.db2.gz VZQFGJARXDGWCX-QGZVFWFLSA-N 2 1 368.428 0.725 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000842191041 1222839852 /nfs/dbraw/zinc/83/98/52/1222839852.db2.gz VZQFGJARXDGWCX-QGZVFWFLSA-N 2 1 368.428 0.725 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842190490 1222840280 /nfs/dbraw/zinc/84/02/80/1222840280.db2.gz SNSQQNIEIYTBEZ-UEXGIBASSA-N 2 1 370.497 0.693 20 0 FCADMP COCCN1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000843244962 1222862255 /nfs/dbraw/zinc/86/22/55/1222862255.db2.gz UKNASLNGQFTPQV-IYBDPMFKSA-N 2 1 366.506 0.108 20 0 FCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000843247157 1222862872 /nfs/dbraw/zinc/86/28/72/1222862872.db2.gz YYRZFMBRUKJHOP-CALCHBBNSA-N 2 1 368.522 0.497 20 0 FCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000843247157 1222862874 /nfs/dbraw/zinc/86/28/74/1222862874.db2.gz YYRZFMBRUKJHOP-CALCHBBNSA-N 2 1 368.522 0.497 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C[C@@H]1C ZINC000843247157 1222862877 /nfs/dbraw/zinc/86/28/77/1222862877.db2.gz YYRZFMBRUKJHOP-CALCHBBNSA-N 2 1 368.522 0.497 20 0 FCADMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C[C@@H]1C ZINC000843247157 1222862880 /nfs/dbraw/zinc/86/28/80/1222862880.db2.gz YYRZFMBRUKJHOP-CALCHBBNSA-N 2 1 368.522 0.497 20 0 FCADMP CC[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1[NH3+] ZINC000843377733 1222874714 /nfs/dbraw/zinc/87/47/14/1222874714.db2.gz UJUANZVCNVRNRX-UONOGXRCSA-N 2 1 365.478 0.722 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+]([C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001151132796 1222916241 /nfs/dbraw/zinc/91/62/41/1222916241.db2.gz YCPUDQJEZWTFJW-HRCADAONSA-N 2 1 368.522 0.578 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+]([C@@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001151132796 1222916246 /nfs/dbraw/zinc/91/62/46/1222916246.db2.gz YCPUDQJEZWTFJW-HRCADAONSA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153413445 1222975661 /nfs/dbraw/zinc/97/56/61/1222975661.db2.gz AHFZABKNTPTNSF-KYJSFNMBSA-N 2 1 368.522 0.306 20 0 FCADMP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153413445 1222975674 /nfs/dbraw/zinc/97/56/74/1222975674.db2.gz AHFZABKNTPTNSF-KYJSFNMBSA-N 2 1 368.522 0.306 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(=O)NCCCOC)CC[N@@H+]1C ZINC001153501904 1222978054 /nfs/dbraw/zinc/97/80/54/1222978054.db2.gz YKFWHONQILELJV-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(=O)NCCCOC)CC[N@H+]1C ZINC001153501904 1222978058 /nfs/dbraw/zinc/97/80/58/1222978058.db2.gz YKFWHONQILELJV-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCCCOC)CC[NH+]1C ZINC001153501904 1222978071 /nfs/dbraw/zinc/97/80/71/1222978071.db2.gz YKFWHONQILELJV-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCCCOC)CC[NH+]1C ZINC001153501904 1222978083 /nfs/dbraw/zinc/97/80/83/1222978083.db2.gz YKFWHONQILELJV-IXDOHACOSA-N 2 1 370.538 0.696 20 0 FCADMP C1C[C@]2(C[NH2+]1)C[C@@H](Nc1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCO2 ZINC001155625722 1223040416 /nfs/dbraw/zinc/04/04/16/1223040416.db2.gz NASOMWWBYCTAMP-SCLBCKFNSA-N 2 1 360.462 0.239 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000977802343 1248651120 /nfs/dbraw/zinc/65/11/20/1248651120.db2.gz XGCCQBZWPHRXLG-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000977802343 1248651135 /nfs/dbraw/zinc/65/11/35/1248651135.db2.gz XGCCQBZWPHRXLG-IXDOHACOSA-N 2 1 366.506 0.108 20 0 FCADMP O=C(N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001156992448 1223064878 /nfs/dbraw/zinc/06/48/78/1223064878.db2.gz LETDHLIBCXHKTI-IRFCIJBXSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992448 1223064882 /nfs/dbraw/zinc/06/48/82/1223064882.db2.gz LETDHLIBCXHKTI-IRFCIJBXSA-N 2 1 373.497 0.681 20 0 FCADMP O=C(N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992448 1223064885 /nfs/dbraw/zinc/06/48/85/1223064885.db2.gz LETDHLIBCXHKTI-IRFCIJBXSA-N 2 1 373.497 0.681 20 0 FCADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081925 1223067105 /nfs/dbraw/zinc/06/71/05/1223067105.db2.gz FXQFKAZVZSINDU-DHSIGJKJSA-N 2 1 364.446 0.549 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000977805760 1248653510 /nfs/dbraw/zinc/65/35/10/1248653510.db2.gz IFOBOCUUFDTQTD-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959427 1223085153 /nfs/dbraw/zinc/08/51/53/1223085153.db2.gz BHVUKXXRLGKXDV-ZWKOTPCHSA-N 3 1 358.486 0.612 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)N2CCNC[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959427 1223085155 /nfs/dbraw/zinc/08/51/55/1223085155.db2.gz BHVUKXXRLGKXDV-ZWKOTPCHSA-N 2 1 358.486 0.612 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCNC[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959427 1223085158 /nfs/dbraw/zinc/08/51/58/1223085158.db2.gz BHVUKXXRLGKXDV-ZWKOTPCHSA-N 2 1 358.486 0.612 20 0 FCADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCCNCc1cn(C)nn1 ZINC001158256107 1223091754 /nfs/dbraw/zinc/09/17/54/1223091754.db2.gz DQGUQDCVMUJADU-GDBMZVCRSA-N 2 1 357.462 0.579 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H](Oc4ncc(F)cn4)C3)n2)CC1 ZINC001158354102 1223095751 /nfs/dbraw/zinc/09/57/51/1223095751.db2.gz RJSUFVASIKSXSE-CQSZACIVSA-N 2 1 359.409 0.991 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nc3ccccc3c(=O)n2C)CC[N@H+]1C ZINC001158428662 1223097531 /nfs/dbraw/zinc/09/75/31/1223097531.db2.gz NGYPFMYSNRCXQT-HUUCEWRRSA-N 2 1 371.485 0.870 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@](C)([NH3+])CC(C)C)C2)C1 ZINC001159128298 1223118052 /nfs/dbraw/zinc/11/80/52/1223118052.db2.gz YAJGULINJVIXQD-MOPGFXCFSA-N 2 1 368.522 0.437 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@](C)([NH3+])CC(C)C)C2)C1 ZINC001159128298 1223118053 /nfs/dbraw/zinc/11/80/53/1223118053.db2.gz YAJGULINJVIXQD-MOPGFXCFSA-N 2 1 368.522 0.437 20 0 FCADMP [NH3+][C@@H](C(=O)N1CCc2ncc(CN3CCCC3)n2CC1)C1CC[NH2+]CC1 ZINC001159157522 1223119498 /nfs/dbraw/zinc/11/94/98/1223119498.db2.gz HHSNSFYRLBFQKG-GOSISDBHSA-N 2 1 360.506 0.191 20 0 FCADMP Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159375263 1223125627 /nfs/dbraw/zinc/12/56/27/1223125627.db2.gz NGKUXJAXQDVRPL-GOEBONIOSA-N 2 1 358.446 0.134 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001159412628 1223126322 /nfs/dbraw/zinc/12/63/22/1223126322.db2.gz WGFXVWXLENSOHS-WMZOPIPTSA-N 2 1 357.502 0.974 20 0 FCADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001159412628 1223126326 /nfs/dbraw/zinc/12/63/26/1223126326.db2.gz WGFXVWXLENSOHS-WMZOPIPTSA-N 2 1 357.502 0.974 20 0 FCADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001159412628 1223126329 /nfs/dbraw/zinc/12/63/29/1223126329.db2.gz WGFXVWXLENSOHS-WMZOPIPTSA-N 2 1 357.502 0.974 20 0 FCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@@]2(N)CCC[NH2+]C2)[C@@H]2CCCO[C@H]12 ZINC001159425440 1223126784 /nfs/dbraw/zinc/12/67/84/1223126784.db2.gz SHGXPRRQIPFQAT-FTEYMNFISA-N 2 1 373.501 0.353 20 0 FCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)[C@@]2(N)CCC[NH2+]C2)[C@@H]2CCCO[C@H]12 ZINC001159425440 1223126785 /nfs/dbraw/zinc/12/67/85/1223126785.db2.gz SHGXPRRQIPFQAT-FTEYMNFISA-N 2 1 373.501 0.353 20 0 FCADMP O=C(CNC1CC[NH2+]CC1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667137 1223132782 /nfs/dbraw/zinc/13/27/82/1223132782.db2.gz SUXGMRIIRUDJKO-MOPGFXCFSA-N 2 1 373.501 0.225 20 0 FCADMP [NH3+][C@H](C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001159665263 1223133129 /nfs/dbraw/zinc/13/31/29/1223133129.db2.gz INWQNXWPRUMQAM-QYZOEREBSA-N 3 1 373.501 0.210 20 0 FCADMP N[C@]1(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CCC[NH2+]C1 ZINC001159854828 1223137943 /nfs/dbraw/zinc/13/79/43/1223137943.db2.gz GCDJHNLIGNTBSU-VDZJLULYSA-N 2 1 362.449 0.571 20 0 FCADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159853182 1223138402 /nfs/dbraw/zinc/13/84/02/1223138402.db2.gz ALFBTYUELNABKH-JQHSSLGASA-N 3 1 374.460 0.299 20 0 FCADMP O=C(CN1CC[NH2+]CC1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855040 1223138501 /nfs/dbraw/zinc/13/85/01/1223138501.db2.gz GZGMGNWVXZJYQX-WMZOPIPTSA-N 2 1 362.449 0.395 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001159898024 1223139298 /nfs/dbraw/zinc/13/92/98/1223139298.db2.gz FVFNMIIAQIWOOM-FQEVSTJZSA-N 2 1 369.469 0.882 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001159898024 1223139301 /nfs/dbraw/zinc/13/93/01/1223139301.db2.gz FVFNMIIAQIWOOM-FQEVSTJZSA-N 2 1 369.469 0.882 20 0 FCADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159898822 1223139532 /nfs/dbraw/zinc/13/95/32/1223139532.db2.gz ZCBJVXFBKMXAHG-MRXNPFEDSA-N 2 1 358.442 0.901 20 0 FCADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159898822 1223139536 /nfs/dbraw/zinc/13/95/36/1223139536.db2.gz ZCBJVXFBKMXAHG-MRXNPFEDSA-N 2 1 358.442 0.901 20 0 FCADMP NC(=[NH2+])NCCCCC(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065788 1223143905 /nfs/dbraw/zinc/14/39/05/1223143905.db2.gz MZOWUWBIFVOLGP-UHFFFAOYSA-N 2 1 370.461 0.568 20 0 FCADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127951 1223146766 /nfs/dbraw/zinc/14/67/66/1223146766.db2.gz GMGURWZABTYSQY-SCNOPHJPSA-N 2 1 370.457 0.475 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC2=CC[N@@H+](CCO)CC2)CC1 ZINC001160196318 1223149809 /nfs/dbraw/zinc/14/98/09/1223149809.db2.gz PQZARFXOMLFKEF-MOPGFXCFSA-N 2 1 365.518 0.864 20 0 FCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)C[C@@H]21 ZINC001160424480 1223158777 /nfs/dbraw/zinc/15/87/77/1223158777.db2.gz VAULNAONMSXBRE-QEEHTWDDSA-N 2 1 357.502 0.831 20 0 FCADMP [NH3+]C[C@@]1(Nc2ccc(C(=O)NC3CCOCC3)nn2)C[NH+]2CCC1CC2 ZINC001160518438 1223163545 /nfs/dbraw/zinc/16/35/45/1223163545.db2.gz GMMKZFDBBSXCHN-GOSISDBHSA-N 2 1 360.462 0.220 20 0 FCADMP O=C(c1cccnc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC001160726130 1223170188 /nfs/dbraw/zinc/17/01/88/1223170188.db2.gz RXJKKKOGCFYYPA-SJORKVTESA-N 2 1 359.474 0.792 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCCCC3)O1 ZINC001160851005 1223177246 /nfs/dbraw/zinc/17/72/46/1223177246.db2.gz LWDURDHUVNSRNJ-HUUCEWRRSA-N 2 1 364.494 0.320 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCCCC3)O1 ZINC001160851005 1223177249 /nfs/dbraw/zinc/17/72/49/1223177249.db2.gz LWDURDHUVNSRNJ-HUUCEWRRSA-N 2 1 364.494 0.320 20 0 FCADMP COc1cccc([C@@H](O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001160856944 1223177396 /nfs/dbraw/zinc/17/73/96/1223177396.db2.gz AOJKTTZVNRWELK-FHLIZLRMSA-N 2 1 365.474 0.544 20 0 FCADMP COc1cccc([C@@H](O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001160856944 1223177398 /nfs/dbraw/zinc/17/73/98/1223177398.db2.gz AOJKTTZVNRWELK-FHLIZLRMSA-N 2 1 365.474 0.544 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)O1 ZINC001160850662 1223177575 /nfs/dbraw/zinc/17/75/75/1223177575.db2.gz FDOZTKBYNDWQOM-FHLIZLRMSA-N 2 1 367.465 0.544 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)O1 ZINC001160850662 1223177579 /nfs/dbraw/zinc/17/75/79/1223177579.db2.gz FDOZTKBYNDWQOM-FHLIZLRMSA-N 2 1 367.465 0.544 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001160857733 1223178110 /nfs/dbraw/zinc/17/81/10/1223178110.db2.gz NZAMZEVQHCPDFF-IIAWOOMASA-N 2 1 366.462 0.272 20 0 FCADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccco1 ZINC001160857733 1223178116 /nfs/dbraw/zinc/17/81/16/1223178116.db2.gz NZAMZEVQHCPDFF-IIAWOOMASA-N 2 1 366.462 0.272 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999787 1223182300 /nfs/dbraw/zinc/18/23/00/1223182300.db2.gz KPXDOBMCKVQQQU-RTBURBONSA-N 2 1 372.513 0.566 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999787 1223182302 /nfs/dbraw/zinc/18/23/02/1223182302.db2.gz KPXDOBMCKVQQQU-RTBURBONSA-N 2 1 372.513 0.566 20 0 FCADMP CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001161253375 1223192560 /nfs/dbraw/zinc/19/25/60/1223192560.db2.gz QOWGCGQNCQFGOF-HZPDHXFCSA-N 2 1 359.474 0.798 20 0 FCADMP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378298 1223197248 /nfs/dbraw/zinc/19/72/48/1223197248.db2.gz LUCIQPVBGVOBKT-MOPGFXCFSA-N 3 1 373.545 0.906 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]12 ZINC001161414677 1223198532 /nfs/dbraw/zinc/19/85/32/1223198532.db2.gz YNOFXMCKMRTZGR-AKHDSKFASA-N 3 1 354.498 0.904 20 0 FCADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)C[C@@H]12 ZINC001161414677 1223198534 /nfs/dbraw/zinc/19/85/34/1223198534.db2.gz YNOFXMCKMRTZGR-AKHDSKFASA-N 3 1 354.498 0.904 20 0 FCADMP N[C@@H]1NCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2NCN[C@@H]21 ZINC001162437278 1223215721 /nfs/dbraw/zinc/21/57/21/1223215721.db2.gz BENUJVVYYDKBKW-AQNXPRMDSA-N 2 1 365.485 0.137 20 0 FCADMP COC(OC)c1c(C[NH3+])ccnc1NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163111449 1223226146 /nfs/dbraw/zinc/22/61/46/1223226146.db2.gz DKWCRXZCCVWWKP-UHFFFAOYSA-N 2 1 374.445 0.494 20 0 FCADMP [NH3+]C1CCN(c2cncc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)n2)CC1 ZINC001163111397 1223226264 /nfs/dbraw/zinc/22/62/64/1223226264.db2.gz CDKIZBNOXRCHGX-UHFFFAOYSA-N 2 1 370.461 0.066 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001164583369 1223240245 /nfs/dbraw/zinc/24/02/45/1223240245.db2.gz XXKPXWNLIOARRY-JKSUJKDBSA-N 2 1 365.522 0.618 20 0 FCADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c12 ZINC001165340786 1223244939 /nfs/dbraw/zinc/24/49/39/1223244939.db2.gz FVXDPYZVGMBEKZ-KRWDZBQOSA-N 2 1 361.402 0.330 20 0 FCADMP [NH3+]Cc1cc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001165675893 1223253120 /nfs/dbraw/zinc/25/31/20/1223253120.db2.gz LFFARPWMSNMCMM-NJAFHUGGSA-N 2 1 368.489 0.906 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728865 1223255210 /nfs/dbraw/zinc/25/52/10/1223255210.db2.gz WGKOFFPFLZQHCU-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP CC[C@@H](C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728865 1223255212 /nfs/dbraw/zinc/25/52/12/1223255212.db2.gz WGKOFFPFLZQHCU-BZUAXINKSA-N 2 1 368.522 0.496 20 0 FCADMP CCn1nncc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165727799 1223255504 /nfs/dbraw/zinc/25/55/04/1223255504.db2.gz INFCVKSHDJGHPL-GDBMZVCRSA-N 2 1 364.494 0.393 20 0 FCADMP CCn1nncc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165727799 1223255507 /nfs/dbraw/zinc/25/55/07/1223255507.db2.gz INFCVKSHDJGHPL-GDBMZVCRSA-N 2 1 364.494 0.393 20 0 FCADMP Cc1c(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cnn1C ZINC001204571440 1223303760 /nfs/dbraw/zinc/30/37/60/1223303760.db2.gz KRRZGJCPCYLUDU-UHFFFAOYSA-N 2 1 363.506 0.731 20 0 FCADMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001204579912 1223303840 /nfs/dbraw/zinc/30/38/40/1223303840.db2.gz KEKWXJICXWDQHF-UHFFFAOYSA-N 2 1 363.506 0.731 20 0 FCADMP CC(C)[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001205150929 1223312629 /nfs/dbraw/zinc/31/26/29/1223312629.db2.gz KQIWJKVIIRZUKW-QRVBRYPASA-N 2 1 363.502 0.639 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001205211224 1223317309 /nfs/dbraw/zinc/31/73/09/1223317309.db2.gz BDVNWTNELWMHQC-GUDVDZBRSA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001205211224 1223317310 /nfs/dbraw/zinc/31/73/10/1223317310.db2.gz BDVNWTNELWMHQC-GUDVDZBRSA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001205211224 1223317311 /nfs/dbraw/zinc/31/73/11/1223317311.db2.gz BDVNWTNELWMHQC-GUDVDZBRSA-N 2 1 361.486 0.394 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001205458810 1223324299 /nfs/dbraw/zinc/32/42/99/1223324299.db2.gz VLDPMERYFXYTAA-RRQGHBQHSA-N 2 1 364.465 0.924 20 0 FCADMP CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519654 1223330776 /nfs/dbraw/zinc/33/07/76/1223330776.db2.gz YREYAVNCLPMZKK-OKZBNKHCSA-N 2 1 365.518 0.914 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001205572118 1223332116 /nfs/dbraw/zinc/33/21/16/1223332116.db2.gz CQCHNJGNVZWAKI-USXIJHARSA-N 2 1 362.449 0.550 20 0 FCADMP CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207537615 1223452310 /nfs/dbraw/zinc/45/23/10/1223452310.db2.gz FEBFLAGIIDFQAK-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207537481 1223452579 /nfs/dbraw/zinc/45/25/79/1223452579.db2.gz BIHDAGBGOAFZBJ-MGPQQGTHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547391 1223454916 /nfs/dbraw/zinc/45/49/16/1223454916.db2.gz UZCJLGRPMBPENN-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547391 1223454919 /nfs/dbraw/zinc/45/49/19/1223454919.db2.gz UZCJLGRPMBPENN-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550647 1223455375 /nfs/dbraw/zinc/45/53/75/1223455375.db2.gz DKSQPARKJNMMHA-BMFZPTHFSA-N 2 1 367.538 0.861 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550647 1223455378 /nfs/dbraw/zinc/45/53/78/1223455378.db2.gz DKSQPARKJNMMHA-BMFZPTHFSA-N 2 1 367.538 0.861 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767308 1223478206 /nfs/dbraw/zinc/47/82/06/1223478206.db2.gz RMJMRAQXHNUGKY-NVXWUHKLSA-N 2 1 361.490 0.869 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767308 1223478207 /nfs/dbraw/zinc/47/82/07/1223478207.db2.gz RMJMRAQXHNUGKY-NVXWUHKLSA-N 2 1 361.490 0.869 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859257 1223487297 /nfs/dbraw/zinc/48/72/97/1223487297.db2.gz MVQAZUHXVDBUNB-NVXWUHKLSA-N 2 1 366.506 0.204 20 0 FCADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208074643 1223514426 /nfs/dbraw/zinc/51/44/26/1223514426.db2.gz ZYXKBYFPOIJSSP-QLFBSQMISA-N 2 1 367.494 0.143 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163412 1223520378 /nfs/dbraw/zinc/52/03/78/1223520378.db2.gz FTNNDPQHBAUEKD-HZSPNIEDSA-N 2 1 367.494 0.271 20 0 FCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163412 1223520381 /nfs/dbraw/zinc/52/03/81/1223520381.db2.gz FTNNDPQHBAUEKD-HZSPNIEDSA-N 2 1 367.494 0.271 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001208411462 1223542587 /nfs/dbraw/zinc/54/25/87/1223542587.db2.gz URPAOVFMLMUZCL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001208411462 1223542595 /nfs/dbraw/zinc/54/25/95/1223542595.db2.gz URPAOVFMLMUZCL-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428448 1223544575 /nfs/dbraw/zinc/54/45/75/1223544575.db2.gz WHXTXQOPQRXKKJ-QGPMSJSTSA-N 2 1 364.490 0.853 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428448 1223544576 /nfs/dbraw/zinc/54/45/76/1223544576.db2.gz WHXTXQOPQRXKKJ-QGPMSJSTSA-N 2 1 364.490 0.853 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208434823 1223545455 /nfs/dbraw/zinc/54/54/55/1223545455.db2.gz DBCZTABMTGPVJH-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208434823 1223545458 /nfs/dbraw/zinc/54/54/58/1223545458.db2.gz DBCZTABMTGPVJH-NVXWUHKLSA-N 2 1 361.490 0.476 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441516 1223545861 /nfs/dbraw/zinc/54/58/61/1223545861.db2.gz JDVUFJHHXRDNOO-SOLBZPMBSA-N 2 1 367.490 0.935 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496094 1223550936 /nfs/dbraw/zinc/55/09/36/1223550936.db2.gz JLQROWRCRURMLV-SJLPKXTDSA-N 2 1 360.502 0.734 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496094 1223550937 /nfs/dbraw/zinc/55/09/37/1223550937.db2.gz JLQROWRCRURMLV-SJLPKXTDSA-N 2 1 360.502 0.734 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485954 1223551166 /nfs/dbraw/zinc/55/11/66/1223551166.db2.gz XTTVNQAACAFINM-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485954 1223551172 /nfs/dbraw/zinc/55/11/72/1223551172.db2.gz XTTVNQAACAFINM-UKRRQHHQSA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000977944534 1248688911 /nfs/dbraw/zinc/68/89/11/1248688911.db2.gz PEECMTFVRGDJMI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[NH+](C)C2CCC2)O1 ZINC000977944534 1248688919 /nfs/dbraw/zinc/68/89/19/1248688919.db2.gz PEECMTFVRGDJMI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)O1 ZINC000977944534 1248688930 /nfs/dbraw/zinc/68/89/30/1248688930.db2.gz PEECMTFVRGDJMI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C[N@@H+](C)C2CCC2)O1 ZINC000977944534 1248688937 /nfs/dbraw/zinc/68/89/37/1248688937.db2.gz PEECMTFVRGDJMI-HYVNUMGLSA-N 2 1 366.506 0.249 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208609069 1223561948 /nfs/dbraw/zinc/56/19/48/1223561948.db2.gz UIYDOFZBDKRYFP-MRXNPFEDSA-N 2 1 360.502 0.679 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208609069 1223561952 /nfs/dbraw/zinc/56/19/52/1223561952.db2.gz UIYDOFZBDKRYFP-MRXNPFEDSA-N 2 1 360.502 0.679 20 0 FCADMP CN(C)C(=O)Cn1c(=O)ccc2c1CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609069 1223561955 /nfs/dbraw/zinc/56/19/55/1223561955.db2.gz UIYDOFZBDKRYFP-MRXNPFEDSA-N 2 1 360.502 0.679 20 0 FCADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C1 ZINC001208615459 1223564308 /nfs/dbraw/zinc/56/43/08/1223564308.db2.gz XIDFPEHSSSQBCW-NSHGMRRFSA-N 2 1 365.518 0.916 20 0 FCADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C1 ZINC001208615459 1223564310 /nfs/dbraw/zinc/56/43/10/1223564310.db2.gz XIDFPEHSSSQBCW-NSHGMRRFSA-N 2 1 365.518 0.916 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677369 1223569155 /nfs/dbraw/zinc/56/91/55/1223569155.db2.gz ZHAOSIAWEXYOGL-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677369 1223569163 /nfs/dbraw/zinc/56/91/63/1223569163.db2.gz ZHAOSIAWEXYOGL-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677369 1223569170 /nfs/dbraw/zinc/56/91/70/1223569170.db2.gz ZHAOSIAWEXYOGL-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208677369 1223569173 /nfs/dbraw/zinc/56/91/73/1223569173.db2.gz ZHAOSIAWEXYOGL-MGPQQGTHSA-N 2 1 369.510 0.245 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706658 1223571177 /nfs/dbraw/zinc/57/11/77/1223571177.db2.gz BQKRBWVWGPCZQT-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706658 1223571180 /nfs/dbraw/zinc/57/11/80/1223571180.db2.gz BQKRBWVWGPCZQT-JFIYKMOQSA-N 2 1 363.506 0.858 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)C1 ZINC001208956782 1223587450 /nfs/dbraw/zinc/58/74/50/1223587450.db2.gz IBRKSRZHHIVIKY-INIZCTEOSA-N 2 1 361.490 0.769 20 0 FCADMP CC(=O)N1CCC[C@@H](C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)C1 ZINC001208956782 1223587452 /nfs/dbraw/zinc/58/74/52/1223587452.db2.gz IBRKSRZHHIVIKY-INIZCTEOSA-N 2 1 361.490 0.769 20 0 FCADMP CC(C)=CCN1C[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276629926 1223608384 /nfs/dbraw/zinc/60/83/84/1223608384.db2.gz FGHJCHMJFQTADY-FQEVSTJZSA-N 2 1 364.534 0.893 20 0 FCADMP C[NH+]1CCN(CCC[N@H+]2CC[C@@]3(CCN(Cc4cnoc4)C3=O)C2)CC1 ZINC001276636599 1223613501 /nfs/dbraw/zinc/61/35/01/1223613501.db2.gz PGSHFVWEUWVSMP-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576325 1223631933 /nfs/dbraw/zinc/63/19/33/1223631933.db2.gz DPTBUDOAZYOQPT-QLFBSQMISA-N 2 1 369.510 0.518 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576325 1223631936 /nfs/dbraw/zinc/63/19/36/1223631936.db2.gz DPTBUDOAZYOQPT-QLFBSQMISA-N 2 1 369.510 0.518 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576325 1223631939 /nfs/dbraw/zinc/63/19/39/1223631939.db2.gz DPTBUDOAZYOQPT-QLFBSQMISA-N 2 1 369.510 0.518 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209576325 1223631942 /nfs/dbraw/zinc/63/19/42/1223631942.db2.gz DPTBUDOAZYOQPT-QLFBSQMISA-N 2 1 369.510 0.518 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001209643261 1223636180 /nfs/dbraw/zinc/63/61/80/1223636180.db2.gz WWQRNJZMFBORJE-JFIYKMOQSA-N 2 1 371.522 0.321 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001209643110 1223636614 /nfs/dbraw/zinc/63/66/14/1223636614.db2.gz SQBYYKDMRXPCMK-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001209643110 1223636616 /nfs/dbraw/zinc/63/66/16/1223636616.db2.gz SQBYYKDMRXPCMK-HUUCEWRRSA-N 2 1 365.526 0.749 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)ncn1 ZINC001209837024 1223652470 /nfs/dbraw/zinc/65/24/70/1223652470.db2.gz UJEVQZXSPCSUPS-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)ncn1 ZINC001209837024 1223652472 /nfs/dbraw/zinc/65/24/72/1223652472.db2.gz UJEVQZXSPCSUPS-RDTXWAMCSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836382 1223652658 /nfs/dbraw/zinc/65/26/58/1223652658.db2.gz MEJXVTCSEJJTBH-RDTXWAMCSA-N 2 1 363.506 0.776 20 0 FCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001209837388 1223652762 /nfs/dbraw/zinc/65/27/62/1223652762.db2.gz XNUCLWIFSQUCIR-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001209837388 1223652766 /nfs/dbraw/zinc/65/27/66/1223652766.db2.gz XNUCLWIFSQUCIR-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041907 1223663171 /nfs/dbraw/zinc/66/31/71/1223663171.db2.gz XOBOYPYSSMKBEX-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041907 1223663174 /nfs/dbraw/zinc/66/31/74/1223663174.db2.gz XOBOYPYSSMKBEX-SOLBZPMBSA-N 2 1 371.522 0.321 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426224 1223690078 /nfs/dbraw/zinc/69/00/78/1223690078.db2.gz COXWVHJILLIAPK-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426224 1223690079 /nfs/dbraw/zinc/69/00/79/1223690079.db2.gz COXWVHJILLIAPK-QLFBSQMISA-N 2 1 369.510 0.389 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433612 1223690846 /nfs/dbraw/zinc/69/08/46/1223690846.db2.gz URJBLCGMILHEGA-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433612 1223690848 /nfs/dbraw/zinc/69/08/48/1223690848.db2.gz URJBLCGMILHEGA-IXDOHACOSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433775 1223690940 /nfs/dbraw/zinc/69/09/40/1223690940.db2.gz WRNPJMYQIQJHRV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433775 1223690944 /nfs/dbraw/zinc/69/09/44/1223690944.db2.gz WRNPJMYQIQJHRV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210486513 1223694457 /nfs/dbraw/zinc/69/44/57/1223694457.db2.gz XXSMSRGMJFUOSC-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210486513 1223694458 /nfs/dbraw/zinc/69/44/58/1223694458.db2.gz XXSMSRGMJFUOSC-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210486513 1223694462 /nfs/dbraw/zinc/69/44/62/1223694462.db2.gz XXSMSRGMJFUOSC-IXDOHACOSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094906 1223725481 /nfs/dbraw/zinc/72/54/81/1223725481.db2.gz YGIUHCISRCVENM-BZUAXINKSA-N 2 1 364.490 0.494 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310005 1223734306 /nfs/dbraw/zinc/73/43/06/1223734306.db2.gz MJVFOHUPHIFCNC-SJLPKXTDSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343634 1223736568 /nfs/dbraw/zinc/73/65/68/1223736568.db2.gz CZHVDFGHYKRGOL-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343634 1223736569 /nfs/dbraw/zinc/73/65/69/1223736569.db2.gz CZHVDFGHYKRGOL-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444019 1223742475 /nfs/dbraw/zinc/74/24/75/1223742475.db2.gz KSDPAJVEHSUQBM-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444019 1223742477 /nfs/dbraw/zinc/74/24/77/1223742477.db2.gz KSDPAJVEHSUQBM-HUUCEWRRSA-N 2 1 367.494 0.145 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213095 1223769551 /nfs/dbraw/zinc/76/95/51/1223769551.db2.gz FMHIZAIULOJADE-GVDBMIGSSA-N 2 1 371.522 0.321 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378045 1223792196 /nfs/dbraw/zinc/79/21/96/1223792196.db2.gz CHLYWCQZKDXITD-IEBWSBKVSA-N 2 1 361.486 0.931 20 0 FCADMP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213378638 1223792765 /nfs/dbraw/zinc/79/27/65/1223792765.db2.gz ZYLPWRWLCAIKNC-IAGOWNOFSA-N 2 1 362.474 0.313 20 0 FCADMP CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213378638 1223792766 /nfs/dbraw/zinc/79/27/66/1223792766.db2.gz ZYLPWRWLCAIKNC-IAGOWNOFSA-N 2 1 362.474 0.313 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213435355 1223798364 /nfs/dbraw/zinc/79/83/64/1223798364.db2.gz WFTRRDCQWZBDSC-KZNAEPCWSA-N 2 1 365.522 0.898 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213435355 1223798367 /nfs/dbraw/zinc/79/83/67/1223798367.db2.gz WFTRRDCQWZBDSC-KZNAEPCWSA-N 2 1 365.522 0.898 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213671896 1223830387 /nfs/dbraw/zinc/83/03/87/1223830387.db2.gz VKOMGCOBVAOQQX-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213671896 1223830389 /nfs/dbraw/zinc/83/03/89/1223830389.db2.gz VKOMGCOBVAOQQX-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213671896 1223830390 /nfs/dbraw/zinc/83/03/90/1223830390.db2.gz VKOMGCOBVAOQQX-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213671896 1223830391 /nfs/dbraw/zinc/83/03/91/1223830391.db2.gz VKOMGCOBVAOQQX-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213757316 1223844777 /nfs/dbraw/zinc/84/47/77/1223844777.db2.gz CUMHJCFKTJHTNC-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213757316 1223844779 /nfs/dbraw/zinc/84/47/79/1223844779.db2.gz CUMHJCFKTJHTNC-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213757316 1223844780 /nfs/dbraw/zinc/84/47/80/1223844780.db2.gz CUMHJCFKTJHTNC-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001213757316 1223844782 /nfs/dbraw/zinc/84/47/82/1223844782.db2.gz CUMHJCFKTJHTNC-IAGOWNOFSA-N 2 1 362.474 0.443 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759305 1223845393 /nfs/dbraw/zinc/84/53/93/1223845393.db2.gz FXUQVGHZYATDLV-BZUAXINKSA-N 2 1 370.538 0.837 20 0 FCADMP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859505 1223862428 /nfs/dbraw/zinc/86/24/28/1223862428.db2.gz DYIYYCNGBJXLPU-IAGOWNOFSA-N 2 1 364.494 0.360 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859505 1223862429 /nfs/dbraw/zinc/86/24/29/1223862429.db2.gz DYIYYCNGBJXLPU-IAGOWNOFSA-N 2 1 364.494 0.360 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914652 1223871118 /nfs/dbraw/zinc/87/11/18/1223871118.db2.gz PZLQFGZXNQJYCL-QZTJIDSGSA-N 2 1 363.506 0.654 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914802 1223871247 /nfs/dbraw/zinc/87/12/47/1223871247.db2.gz XKRCKPXRMFVEIM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914802 1223871251 /nfs/dbraw/zinc/87/12/51/1223871251.db2.gz XKRCKPXRMFVEIM-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1[NH2+]CCOCCO ZINC001214674296 1223931153 /nfs/dbraw/zinc/93/11/53/1223931153.db2.gz OFBLCHRZEHRDLP-XYPHTWIQSA-N 2 1 365.478 0.235 20 0 FCADMP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1[NH2+]CCOCCO ZINC001214674296 1223931156 /nfs/dbraw/zinc/93/11/56/1223931156.db2.gz OFBLCHRZEHRDLP-XYPHTWIQSA-N 2 1 365.478 0.235 20 0 FCADMP Cc1noc(CCC[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166450 1248712754 /nfs/dbraw/zinc/71/27/54/1248712754.db2.gz KTECWKFKSLQSAU-NHMWIVBRSA-N 2 1 361.490 0.945 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166450 1248712759 /nfs/dbraw/zinc/71/27/59/1248712759.db2.gz KTECWKFKSLQSAU-NHMWIVBRSA-N 2 1 361.490 0.945 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978166450 1248712768 /nfs/dbraw/zinc/71/27/68/1248712768.db2.gz KTECWKFKSLQSAU-NHMWIVBRSA-N 2 1 361.490 0.945 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001214757882 1223939126 /nfs/dbraw/zinc/93/91/26/1223939126.db2.gz ZROADQDGQHTWQL-RBSFLKMASA-N 2 1 369.489 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CCOCCO ZINC001214849672 1223947999 /nfs/dbraw/zinc/94/79/99/1223947999.db2.gz ASYZMMISTYYMSF-NXHRZFHOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214850624 1223948133 /nfs/dbraw/zinc/94/81/33/1223948133.db2.gz ZAFOOVPYQBARHR-OIISXLGYSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)c1nnnn1C ZINC001215234486 1223984858 /nfs/dbraw/zinc/98/48/58/1223984858.db2.gz XFBULFWPLDTALW-QLFBSQMISA-N 2 1 363.510 0.972 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978177449 1248716955 /nfs/dbraw/zinc/71/69/55/1248716955.db2.gz HPCHUJIZHMVSTK-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978177449 1248716960 /nfs/dbraw/zinc/71/69/60/1248716960.db2.gz HPCHUJIZHMVSTK-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP COc1nccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978177449 1248716966 /nfs/dbraw/zinc/71/69/66/1248716966.db2.gz HPCHUJIZHMVSTK-NHMWIVBRSA-N 2 1 359.474 0.619 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)C1 ZINC001215541026 1224005112 /nfs/dbraw/zinc/00/51/12/1224005112.db2.gz VEWGCMCSWSIJES-BZUAXINKSA-N 2 1 367.538 0.862 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540791 1224005203 /nfs/dbraw/zinc/00/52/03/1224005203.db2.gz QCPVGTLAGSZOPY-RRFJBIMHSA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934531 1224025067 /nfs/dbraw/zinc/02/50/67/1224025067.db2.gz XGUJFEZLAFWDIJ-IAGOWNOFSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001215934562 1224025920 /nfs/dbraw/zinc/02/59/20/1224025920.db2.gz YMXLFVHLDRPEHV-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215973161 1224027669 /nfs/dbraw/zinc/02/76/69/1224027669.db2.gz VMEWGHLNVWARRC-HUUCEWRRSA-N 2 1 369.510 0.391 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215972996 1224027794 /nfs/dbraw/zinc/02/77/94/1224027794.db2.gz JZAGDBBCOKANGQ-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400862 1224048825 /nfs/dbraw/zinc/04/88/25/1224048825.db2.gz BMHSYLQAYDGYOU-GDBMZVCRSA-N 2 1 366.510 0.511 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC001216514261 1224053855 /nfs/dbraw/zinc/05/38/55/1224053855.db2.gz CBLJOBKKQKEOIP-IUODEOHRSA-N 2 1 364.494 0.743 20 0 FCADMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752465 1224068521 /nfs/dbraw/zinc/06/85/21/1224068521.db2.gz PPLFEOIFHBXFOH-KCPJHIHWSA-N 2 1 362.478 0.353 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001216755881 1224068832 /nfs/dbraw/zinc/06/88/32/1224068832.db2.gz IPXXMZULZQSNGI-RHSMWYFYSA-N 2 1 370.457 0.339 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216851943 1224079183 /nfs/dbraw/zinc/07/91/83/1224079183.db2.gz LSERFYPKDIQZOI-QLFBSQMISA-N 2 1 362.478 0.580 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCCNC4=O)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282720 1248775822 /nfs/dbraw/zinc/77/58/22/1248775822.db2.gz GOHHYVLTKSBULR-WVPQZDDBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+]([C@H]4CCCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282720 1248775830 /nfs/dbraw/zinc/77/58/30/1248775830.db2.gz GOHHYVLTKSBULR-WVPQZDDBSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+]([C@H]4CCCNC4=O)C[C@]3(C)C2)CC[NH+]1C ZINC000982282720 1248775837 /nfs/dbraw/zinc/77/58/37/1248775837.db2.gz GOHHYVLTKSBULR-WVPQZDDBSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1cnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985497173 1248947571 /nfs/dbraw/zinc/94/75/71/1248947571.db2.gz TZNQJGPVNJTURJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985497173 1248947581 /nfs/dbraw/zinc/94/75/81/1248947581.db2.gz TZNQJGPVNJTURJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cnc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985497173 1248947591 /nfs/dbraw/zinc/94/75/91/1248947591.db2.gz TZNQJGPVNJTURJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1cnc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000985497173 1248947602 /nfs/dbraw/zinc/94/76/02/1248947602.db2.gz TZNQJGPVNJTURJ-CRAIPNDOSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987518361 1249072448 /nfs/dbraw/zinc/07/24/48/1249072448.db2.gz RQACGZRKWDYRMZ-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987518361 1249072452 /nfs/dbraw/zinc/07/24/52/1249072452.db2.gz RQACGZRKWDYRMZ-PVAVHDDUSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC000823783882 1245321083 /nfs/dbraw/zinc/32/10/83/1245321083.db2.gz DBAGCVWDTGBOGG-HQRMLTQVSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC000823783882 1245321084 /nfs/dbraw/zinc/32/10/84/1245321084.db2.gz DBAGCVWDTGBOGG-HQRMLTQVSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000823783882 1245321088 /nfs/dbraw/zinc/32/10/88/1245321088.db2.gz DBAGCVWDTGBOGG-HQRMLTQVSA-N 2 1 360.502 0.374 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111651 1245393029 /nfs/dbraw/zinc/39/30/29/1245393029.db2.gz YPWDUHUQGAICOX-OAHLLOKOSA-N 2 1 370.542 0.899 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1OC ZINC000849106471 1245393052 /nfs/dbraw/zinc/39/30/52/1245393052.db2.gz QUOPYFAMQSOAHU-INIZCTEOSA-N 2 1 361.490 0.952 20 0 FCADMP CCN(C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891570008 1245455632 /nfs/dbraw/zinc/45/56/32/1245455632.db2.gz VVDZTUCLGBYNJO-DLBZAZTESA-N 2 1 360.506 0.986 20 0 FCADMP C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000891601467 1245456884 /nfs/dbraw/zinc/45/68/84/1245456884.db2.gz GABROYUMPHYTQA-IRXDYDNUSA-N 2 1 367.538 0.328 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000891597317 1245457213 /nfs/dbraw/zinc/45/72/13/1245457213.db2.gz GXTDZOPSDKDTJQ-SQNIBIBYSA-N 2 1 368.522 0.584 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000891597317 1245457219 /nfs/dbraw/zinc/45/72/19/1245457219.db2.gz GXTDZOPSDKDTJQ-SQNIBIBYSA-N 2 1 368.522 0.584 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000916759377 1245539520 /nfs/dbraw/zinc/53/95/20/1245539520.db2.gz LFXFALAZZPSXSN-MRXNPFEDSA-N 2 1 361.494 0.382 20 0 FCADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282236 1245706048 /nfs/dbraw/zinc/70/60/48/1245706048.db2.gz UGRNZYXWFJBWOS-CVEARBPZSA-N 2 1 365.474 0.612 20 0 FCADMP COC(=O)c1cncc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000923329359 1245708656 /nfs/dbraw/zinc/70/86/56/1245708656.db2.gz SSRZCEDJUQSHPF-RHSMWYFYSA-N 2 1 360.458 0.948 20 0 FCADMP COC(=O)c1cncc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000923329359 1245708663 /nfs/dbraw/zinc/70/86/63/1245708663.db2.gz SSRZCEDJUQSHPF-RHSMWYFYSA-N 2 1 360.458 0.948 20 0 FCADMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000931606512 1245742496 /nfs/dbraw/zinc/74/24/96/1245742496.db2.gz ALYQUWOOIIZCPF-MRXNPFEDSA-N 2 1 373.501 0.954 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000938911345 1245947026 /nfs/dbraw/zinc/94/70/26/1245947026.db2.gz HYSKJHQWYFOMIS-IXDOHACOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CCn4cccn4)C3)CC2)CC[N@@H+]1C ZINC000941413272 1246608843 /nfs/dbraw/zinc/60/88/43/1246608843.db2.gz UWCWDUOXQZBSRF-SJLPKXTDSA-N 2 1 360.506 0.052 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CCn4cccn4)C3)CC2)CC[N@H+]1C ZINC000941413272 1246608852 /nfs/dbraw/zinc/60/88/52/1246608852.db2.gz UWCWDUOXQZBSRF-SJLPKXTDSA-N 2 1 360.506 0.052 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000994219617 1250291256 /nfs/dbraw/zinc/29/12/56/1250291256.db2.gz SFUQMPKAVXBXBW-JOCBIADPSA-N 2 1 364.534 0.879 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942845727 1247196913 /nfs/dbraw/zinc/19/69/13/1247196913.db2.gz HVNYDMWZWSWPNJ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000942845727 1247196916 /nfs/dbraw/zinc/19/69/16/1247196916.db2.gz HVNYDMWZWSWPNJ-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000943654957 1247377199 /nfs/dbraw/zinc/37/71/99/1247377199.db2.gz MWYFNHKDJOVCEN-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)CC2)O1 ZINC000943654957 1247377212 /nfs/dbraw/zinc/37/72/12/1247377212.db2.gz MWYFNHKDJOVCEN-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000943654957 1247377223 /nfs/dbraw/zinc/37/72/23/1247377223.db2.gz MWYFNHKDJOVCEN-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000943654957 1247377231 /nfs/dbraw/zinc/37/72/31/1247377231.db2.gz MWYFNHKDJOVCEN-WRQOLXDDSA-N 2 1 366.506 0.343 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000943796988 1247416643 /nfs/dbraw/zinc/41/66/43/1247416643.db2.gz SVWALVMYEUKTHO-IXDOHACOSA-N 2 1 371.441 0.384 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396638 1247549835 /nfs/dbraw/zinc/54/98/35/1247549835.db2.gz YMVFDQOQKDORDG-BZUAXINKSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)CC2)CC[N@H+]1C ZINC000944947813 1247688898 /nfs/dbraw/zinc/68/88/98/1247688898.db2.gz NPERIJPROADXMC-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946631513 1247927397 /nfs/dbraw/zinc/92/73/97/1247927397.db2.gz LOQAPSHYBLUKQW-JRBZFYFNSA-N 2 1 357.458 0.572 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946770332 1248003047 /nfs/dbraw/zinc/00/30/47/1248003047.db2.gz LOWQDRVDWVQQLU-USXIJHARSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC000946770332 1248003053 /nfs/dbraw/zinc/00/30/53/1248003053.db2.gz LOWQDRVDWVQQLU-USXIJHARSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC000946770332 1248003062 /nfs/dbraw/zinc/00/30/62/1248003062.db2.gz LOWQDRVDWVQQLU-USXIJHARSA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946777972 1248011527 /nfs/dbraw/zinc/01/15/27/1248011527.db2.gz IEGUGOPMMPDHHO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946777972 1248011533 /nfs/dbraw/zinc/01/15/33/1248011533.db2.gz IEGUGOPMMPDHHO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946777972 1248011540 /nfs/dbraw/zinc/01/15/40/1248011540.db2.gz IEGUGOPMMPDHHO-OWCLPIDISA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@@H+]1C ZINC000946909038 1248071223 /nfs/dbraw/zinc/07/12/23/1248071223.db2.gz CQSCOTOBLHJCAO-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC000946909038 1248071227 /nfs/dbraw/zinc/07/12/27/1248071227.db2.gz CQSCOTOBLHJCAO-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000946909038 1248071232 /nfs/dbraw/zinc/07/12/32/1248071232.db2.gz CQSCOTOBLHJCAO-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000946909038 1248071236 /nfs/dbraw/zinc/07/12/36/1248071236.db2.gz CQSCOTOBLHJCAO-MUIFIZLQSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000946914690 1248075911 /nfs/dbraw/zinc/07/59/11/1248075911.db2.gz YIKSGYPMPYBUKP-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000946914690 1248075920 /nfs/dbraw/zinc/07/59/20/1248075920.db2.gz YIKSGYPMPYBUKP-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946914690 1248075927 /nfs/dbraw/zinc/07/59/27/1248075927.db2.gz YIKSGYPMPYBUKP-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000946914690 1248075932 /nfs/dbraw/zinc/07/59/32/1248075932.db2.gz YIKSGYPMPYBUKP-GVDBMIGSSA-N 2 1 366.506 0.155 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000976454812 1248220237 /nfs/dbraw/zinc/22/02/37/1248220237.db2.gz VLMNDQFOCGUBPC-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000976454812 1248220251 /nfs/dbraw/zinc/22/02/51/1248220251.db2.gz VLMNDQFOCGUBPC-ZACQAIPSSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000976595483 1248269953 /nfs/dbraw/zinc/26/99/53/1248269953.db2.gz LKPZTKKYIDEFRE-MTSZKFMLSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[NH+](C)[C@@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976598321 1248273225 /nfs/dbraw/zinc/27/32/25/1248273225.db2.gz CBYDYAWLKBAZRN-NDVFFRQXSA-N 2 1 362.518 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)[C@@H](C)C4)C[C@H]32)CC[NH+]1C ZINC000976598321 1248273235 /nfs/dbraw/zinc/27/32/35/1248273235.db2.gz CBYDYAWLKBAZRN-NDVFFRQXSA-N 2 1 362.518 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)[C@@H](C)C4)C[C@H]32)CC[NH+]1C ZINC000976598321 1248273247 /nfs/dbraw/zinc/27/32/47/1248273247.db2.gz CBYDYAWLKBAZRN-NDVFFRQXSA-N 2 1 362.518 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)CC[N@H+]1C ZINC000976601159 1248279171 /nfs/dbraw/zinc/27/91/71/1248279171.db2.gz RANZLCMGIWHVBW-JLOCXQCDSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)CC[NH+]1C ZINC000976601159 1248279183 /nfs/dbraw/zinc/27/91/83/1248279183.db2.gz RANZLCMGIWHVBW-JLOCXQCDSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)CC[NH+]1C ZINC000976601159 1248279196 /nfs/dbraw/zinc/27/91/96/1248279196.db2.gz RANZLCMGIWHVBW-JLOCXQCDSA-N 2 1 362.518 0.632 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000994335722 1250384802 /nfs/dbraw/zinc/38/48/02/1250384802.db2.gz NOSIYHNOMTXETM-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846971 1250710679 /nfs/dbraw/zinc/71/06/79/1250710679.db2.gz JESUWQWKFYJOLB-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846971 1250710684 /nfs/dbraw/zinc/71/06/84/1250710684.db2.gz JESUWQWKFYJOLB-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994846971 1250710688 /nfs/dbraw/zinc/71/06/88/1250710688.db2.gz JESUWQWKFYJOLB-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994846971 1250710693 /nfs/dbraw/zinc/71/06/93/1250710693.db2.gz JESUWQWKFYJOLB-DJIMGWMZSA-N 2 1 366.506 0.295 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC000996496258 1251362461 /nfs/dbraw/zinc/36/24/61/1251362461.db2.gz WOXGAPKYEYVMFD-GOEBONIOSA-N 2 1 359.474 0.819 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@H]1C ZINC000996572229 1251391863 /nfs/dbraw/zinc/39/18/63/1251391863.db2.gz LFVAVPLDKJHFBL-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC000996572229 1251391873 /nfs/dbraw/zinc/39/18/73/1251391873.db2.gz LFVAVPLDKJHFBL-SIXLDLHFSA-N 2 1 359.474 0.924 20 0 FCADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C1CC1 ZINC000996608176 1251403186 /nfs/dbraw/zinc/40/31/86/1251403186.db2.gz RCABRBONYMWHNJ-WOSRLPQWSA-N 2 1 361.494 0.990 20 0 FCADMP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996713792 1251422396 /nfs/dbraw/zinc/42/23/96/1251422396.db2.gz XERQHYRNNKATMG-GDBMZVCRSA-N 2 1 364.494 0.488 20 0 FCADMP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996713792 1251422400 /nfs/dbraw/zinc/42/24/00/1251422400.db2.gz XERQHYRNNKATMG-GDBMZVCRSA-N 2 1 364.494 0.488 20 0 FCADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ccn1 ZINC000996713947 1251422568 /nfs/dbraw/zinc/42/25/68/1251422568.db2.gz ZFLSYVZEEHKWAR-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ccn1 ZINC000996713947 1251422572 /nfs/dbraw/zinc/42/25/72/1251422572.db2.gz ZFLSYVZEEHKWAR-RHSMWYFYSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCc4ncnn43)CC2)O1 ZINC000996716122 1251423514 /nfs/dbraw/zinc/42/35/14/1251423514.db2.gz IQVVFEVHJCFRKD-FVQBIDKESA-N 2 1 362.478 0.065 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCc4ncnn43)CC2)O1 ZINC000996716122 1251423516 /nfs/dbraw/zinc/42/35/16/1251423516.db2.gz IQVVFEVHJCFRKD-FVQBIDKESA-N 2 1 362.478 0.065 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997641429 1251650301 /nfs/dbraw/zinc/65/03/01/1251650301.db2.gz YZKVIVVGJHMCMQ-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997641429 1251650314 /nfs/dbraw/zinc/65/03/14/1251650314.db2.gz YZKVIVVGJHMCMQ-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+][C@@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC000997794278 1251709745 /nfs/dbraw/zinc/70/97/45/1251709745.db2.gz YVIKJMBQNGPQNJ-CWRNSKLLSA-N 2 1 363.510 0.830 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1 ZINC000998567128 1251913655 /nfs/dbraw/zinc/91/36/55/1251913655.db2.gz QLRHWEIAVXHHQW-YVSFHVDLSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656559 1251942509 /nfs/dbraw/zinc/94/25/09/1251942509.db2.gz TXJBQABFHJYJRH-YVSFHVDLSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000998988610 1252017210 /nfs/dbraw/zinc/01/72/10/1252017210.db2.gz WHBKUHWDCNYPQX-LHUBUQBQSA-N 2 1 362.474 0.183 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000998988610 1252017217 /nfs/dbraw/zinc/01/72/17/1252017217.db2.gz WHBKUHWDCNYPQX-LHUBUQBQSA-N 2 1 362.474 0.183 20 0 FCADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999494236 1252126648 /nfs/dbraw/zinc/12/66/48/1252126648.db2.gz IIDLQYYSHQFZRS-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999494236 1252126659 /nfs/dbraw/zinc/12/66/59/1252126659.db2.gz IIDLQYYSHQFZRS-HYVNUMGLSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000999496692 1252127197 /nfs/dbraw/zinc/12/71/97/1252127197.db2.gz OHXLKSFJEOVSHE-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000999496692 1252127201 /nfs/dbraw/zinc/12/72/01/1252127201.db2.gz OHXLKSFJEOVSHE-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCOC)C3)nn2)CC[N@H+]1C ZINC000999985667 1252259704 /nfs/dbraw/zinc/25/97/04/1252259704.db2.gz DFGGHXWVPFJECI-IXDOHACOSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CCOC)C3)nn2)CC[NH+]1C ZINC000999985667 1252259716 /nfs/dbraw/zinc/25/97/16/1252259716.db2.gz DFGGHXWVPFJECI-IXDOHACOSA-N 2 1 364.494 0.518 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CCOC)C3)nn2)CC[NH+]1C ZINC000999985667 1252259725 /nfs/dbraw/zinc/25/97/25/1252259725.db2.gz DFGGHXWVPFJECI-IXDOHACOSA-N 2 1 364.494 0.518 20 0 FCADMP Cc1nccn1CC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002528248 1252589325 /nfs/dbraw/zinc/58/93/25/1252589325.db2.gz MNBWXWMOFSYFRB-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002528248 1252589331 /nfs/dbraw/zinc/58/93/31/1252589331.db2.gz MNBWXWMOFSYFRB-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002528248 1252589340 /nfs/dbraw/zinc/58/93/40/1252589340.db2.gz MNBWXWMOFSYFRB-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001002698882 1252646361 /nfs/dbraw/zinc/64/63/61/1252646361.db2.gz QGHPFIBOLOFRFQ-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001002698882 1252646373 /nfs/dbraw/zinc/64/63/73/1252646373.db2.gz QGHPFIBOLOFRFQ-BRWVUGGUSA-N 2 1 361.490 0.981 20 0 FCADMP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001002789353 1252674105 /nfs/dbraw/zinc/67/41/05/1252674105.db2.gz DGMROEBKZWZCEM-TVFCKZIOSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001002862562 1252713228 /nfs/dbraw/zinc/71/32/28/1252713228.db2.gz LNJFFRPKNJLGGX-OKZBNKHCSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC001002879589 1252726460 /nfs/dbraw/zinc/72/64/60/1252726460.db2.gz HZNZCDZPLMRYBX-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC[NH+]3CCCCC3)C2)O1 ZINC001002879589 1252726471 /nfs/dbraw/zinc/72/64/71/1252726471.db2.gz HZNZCDZPLMRYBX-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001003149877 1252791513 /nfs/dbraw/zinc/79/15/13/1252791513.db2.gz PBIXQTJATGWZDA-HHARLNAUSA-N 2 1 359.474 0.780 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001003149877 1252791520 /nfs/dbraw/zinc/79/15/20/1252791520.db2.gz PBIXQTJATGWZDA-HHARLNAUSA-N 2 1 359.474 0.780 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667311 1253046353 /nfs/dbraw/zinc/04/63/53/1253046353.db2.gz KIYJVKACRSTBKJ-OLMNPRSZSA-N 2 1 358.486 0.786 20 0 FCADMP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667311 1253046366 /nfs/dbraw/zinc/04/63/66/1253046366.db2.gz KIYJVKACRSTBKJ-OLMNPRSZSA-N 2 1 358.486 0.786 20 0 FCADMP COCC[N@H+](C)CCCn1c(C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001519112315 1265700196 /nfs/dbraw/zinc/70/01/96/1265700196.db2.gz QMVOBQJPHZOAKG-INIZCTEOSA-N 2 1 352.483 0.076 20 0 FCADMP COCC[N@@H+](C)CCCn1c(C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001519112315 1265700205 /nfs/dbraw/zinc/70/02/05/1265700205.db2.gz QMVOBQJPHZOAKG-INIZCTEOSA-N 2 1 352.483 0.076 20 0 FCADMP COCC[NH+](C)CCCn1c(C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001519112315 1265700215 /nfs/dbraw/zinc/70/02/15/1265700215.db2.gz QMVOBQJPHZOAKG-INIZCTEOSA-N 2 1 352.483 0.076 20 0 FCADMP COCC[NH+](C)CCCn1c(C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001519112315 1265700223 /nfs/dbraw/zinc/70/02/23/1265700223.db2.gz QMVOBQJPHZOAKG-INIZCTEOSA-N 2 1 352.483 0.076 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003745299 1253088452 /nfs/dbraw/zinc/08/84/52/1253088452.db2.gz IAHADERASOILJJ-HPBDAGMYSA-N 2 1 362.518 0.918 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003749628 1253090373 /nfs/dbraw/zinc/09/03/73/1253090373.db2.gz RHJPNDMAVYEFIE-ZACQAIPSSA-N 2 1 359.474 0.781 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001519362849 1265715481 /nfs/dbraw/zinc/71/54/81/1265715481.db2.gz MNTBNEKDKJVJJQ-VQIMIIECSA-N 2 1 360.502 0.674 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004392265 1253312338 /nfs/dbraw/zinc/31/23/38/1253312338.db2.gz BMBAAYJMMYADSK-HZMVEIRTSA-N 2 1 360.502 0.672 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001006180695 1253721181 /nfs/dbraw/zinc/72/11/81/1253721181.db2.gz KBJFTEIOPAAZCJ-ZMSDIMECSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001006180695 1253721183 /nfs/dbraw/zinc/72/11/83/1253721183.db2.gz KBJFTEIOPAAZCJ-ZMSDIMECSA-N 2 1 366.506 0.012 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001022175170 1253803247 /nfs/dbraw/zinc/80/32/47/1253803247.db2.gz RDWPGZTWOHJCJA-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001022175170 1253803256 /nfs/dbraw/zinc/80/32/56/1253803256.db2.gz RDWPGZTWOHJCJA-YESZJQIVSA-N 2 1 359.474 0.735 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@@H+]1C ZINC001031685506 1253885710 /nfs/dbraw/zinc/88/57/10/1253885710.db2.gz AHNGFPZVRIGXSY-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C4CCC4)C3=O)C2)CC[N@H+]1C ZINC001031685506 1253885729 /nfs/dbraw/zinc/88/57/29/1253885729.db2.gz AHNGFPZVRIGXSY-RCCFBDPRSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993890 1253913026 /nfs/dbraw/zinc/91/30/26/1253913026.db2.gz CMEFDEZFOMHBPY-SQNIBIBYSA-N 2 1 358.486 0.644 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993890 1253913035 /nfs/dbraw/zinc/91/30/35/1253913035.db2.gz CMEFDEZFOMHBPY-SQNIBIBYSA-N 2 1 358.486 0.644 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001033095189 1253944152 /nfs/dbraw/zinc/94/41/52/1253944152.db2.gz SRCSDKCCHQEHPN-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001033095189 1253944158 /nfs/dbraw/zinc/94/41/58/1253944158.db2.gz SRCSDKCCHQEHPN-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001033095189 1253944162 /nfs/dbraw/zinc/94/41/62/1253944162.db2.gz SRCSDKCCHQEHPN-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001033095189 1253944167 /nfs/dbraw/zinc/94/41/67/1253944167.db2.gz SRCSDKCCHQEHPN-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197474 1253952525 /nfs/dbraw/zinc/95/25/25/1253952525.db2.gz QPZGWSZZQSXLSC-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197474 1253952539 /nfs/dbraw/zinc/95/25/39/1253952539.db2.gz QPZGWSZZQSXLSC-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197474 1253952544 /nfs/dbraw/zinc/95/25/44/1253952544.db2.gz QPZGWSZZQSXLSC-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197474 1253952551 /nfs/dbraw/zinc/95/25/51/1253952551.db2.gz QPZGWSZZQSXLSC-BPQIPLTHSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001034673719 1253997685 /nfs/dbraw/zinc/99/76/85/1253997685.db2.gz ACURRSKFPSZZGD-KCYZZUKISA-N 2 1 364.494 0.534 20 0 FCADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001034673719 1253997680 /nfs/dbraw/zinc/99/76/80/1253997680.db2.gz ACURRSKFPSZZGD-KCYZZUKISA-N 2 1 364.494 0.534 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC001034647332 1253998634 /nfs/dbraw/zinc/99/86/34/1253998634.db2.gz FQKGOCZPGXDCHU-KBUPBQIOSA-N 2 1 364.494 0.993 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC001034647332 1253998642 /nfs/dbraw/zinc/99/86/42/1253998642.db2.gz FQKGOCZPGXDCHU-KBUPBQIOSA-N 2 1 364.494 0.993 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001034676490 1254000258 /nfs/dbraw/zinc/00/02/58/1254000258.db2.gz ZZPPQVOOLSRGRC-OXGONZEZSA-N 2 1 364.494 0.612 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001034676490 1254000260 /nfs/dbraw/zinc/00/02/60/1254000260.db2.gz ZZPPQVOOLSRGRC-OXGONZEZSA-N 2 1 364.494 0.612 20 0 FCADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@H]1C[NH+](C)CCN1C ZINC001519902874 1265795967 /nfs/dbraw/zinc/79/59/67/1265795967.db2.gz VNLZNQJYEXOOET-OWCLPIDISA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001519902874 1265795971 /nfs/dbraw/zinc/79/59/71/1265795971.db2.gz VNLZNQJYEXOOET-OWCLPIDISA-N 2 1 355.527 0.107 20 0 FCADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001519902874 1265795975 /nfs/dbraw/zinc/79/59/75/1265795975.db2.gz VNLZNQJYEXOOET-OWCLPIDISA-N 2 1 355.527 0.107 20 0 FCADMP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001519902864 1265796474 /nfs/dbraw/zinc/79/64/74/1265796474.db2.gz VJUQWUVTCSXBQA-WBVHZDCISA-N 2 1 355.527 0.373 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001329678464 1265810952 /nfs/dbraw/zinc/81/09/52/1265810952.db2.gz GYTJSRMIYHKBHQ-XBVQOTNRSA-N 2 1 366.506 0.317 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+](CC)CC)CC[N@H+]1C ZINC001061623195 1254194245 /nfs/dbraw/zinc/19/42/45/1254194245.db2.gz VYQVEGKOYVIHMY-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)CC)CC[N@H+]1C ZINC001061622007 1254194294 /nfs/dbraw/zinc/19/42/94/1254194294.db2.gz KGWGVIIJXUHFTE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[N@H+](C)CC)CC[NH+]1C ZINC001061622007 1254194297 /nfs/dbraw/zinc/19/42/97/1254194297.db2.gz KGWGVIIJXUHFTE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[N@@H+](C)CC)CC[NH+]1C ZINC001061622007 1254194299 /nfs/dbraw/zinc/19/42/99/1254194299.db2.gz KGWGVIIJXUHFTE-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001061826561 1254228381 /nfs/dbraw/zinc/22/83/81/1254228381.db2.gz CNJPDRDRXZPENX-BZUAXINKSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001520257754 1265890633 /nfs/dbraw/zinc/89/06/33/1265890633.db2.gz AAXCRMIPABIUJE-GDBMZVCRSA-N 2 1 363.510 0.906 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566855 1254703325 /nfs/dbraw/zinc/70/33/25/1254703325.db2.gz QOCCCTHNZXIGNM-KURKYZTESA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566855 1254703330 /nfs/dbraw/zinc/70/33/30/1254703330.db2.gz QOCCCTHNZXIGNM-KURKYZTESA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566855 1254703333 /nfs/dbraw/zinc/70/33/33/1254703333.db2.gz QOCCCTHNZXIGNM-KURKYZTESA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077566855 1254703337 /nfs/dbraw/zinc/70/33/37/1254703337.db2.gz QOCCCTHNZXIGNM-KURKYZTESA-N 2 1 365.518 0.837 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680804 1254870222 /nfs/dbraw/zinc/87/02/22/1254870222.db2.gz XAHQDUKMJLKULR-GPMSIDNRSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680804 1254870235 /nfs/dbraw/zinc/87/02/35/1254870235.db2.gz XAHQDUKMJLKULR-GPMSIDNRSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680804 1254870250 /nfs/dbraw/zinc/87/02/50/1254870250.db2.gz XAHQDUKMJLKULR-GPMSIDNRSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077680804 1254870262 /nfs/dbraw/zinc/87/02/62/1254870262.db2.gz XAHQDUKMJLKULR-GPMSIDNRSA-N 2 1 371.497 0.929 20 0 FCADMP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001077778575 1254981044 /nfs/dbraw/zinc/98/10/44/1254981044.db2.gz RCUHUZMFMDOQOM-HZPDHXFCSA-N 2 1 365.478 0.204 20 0 FCADMP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001077778575 1254981050 /nfs/dbraw/zinc/98/10/50/1254981050.db2.gz RCUHUZMFMDOQOM-HZPDHXFCSA-N 2 1 365.478 0.204 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2O)cn1 ZINC001077817882 1255018065 /nfs/dbraw/zinc/01/80/65/1255018065.db2.gz AERXYJJAJYSHSQ-QZTJIDSGSA-N 2 1 363.506 0.800 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077903209 1255084984 /nfs/dbraw/zinc/08/49/84/1255084984.db2.gz RVWUQMLQGZQLFU-QZTJIDSGSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077903209 1255084990 /nfs/dbraw/zinc/08/49/90/1255084990.db2.gz RVWUQMLQGZQLFU-QZTJIDSGSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906661 1255088363 /nfs/dbraw/zinc/08/83/63/1255088363.db2.gz MCASBWQDLLMDHQ-BMGDILEWSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906661 1255088372 /nfs/dbraw/zinc/08/83/72/1255088372.db2.gz MCASBWQDLLMDHQ-BMGDILEWSA-N 2 1 371.441 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011694 1255166843 /nfs/dbraw/zinc/16/68/43/1255166843.db2.gz CADXNMVNPSHKKK-QZTJIDSGSA-N 2 1 354.454 0.925 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078209322 1255325475 /nfs/dbraw/zinc/32/54/75/1255325475.db2.gz DPBDNZLDOUNZRY-QRVBRYPASA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209322 1255325480 /nfs/dbraw/zinc/32/54/80/1255325480.db2.gz DPBDNZLDOUNZRY-QRVBRYPASA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078209322 1255325488 /nfs/dbraw/zinc/32/54/88/1255325488.db2.gz DPBDNZLDOUNZRY-QRVBRYPASA-N 2 1 361.486 0.631 20 0 FCADMP CCc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078209322 1255325492 /nfs/dbraw/zinc/32/54/92/1255325492.db2.gz DPBDNZLDOUNZRY-QRVBRYPASA-N 2 1 361.486 0.631 20 0 FCADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001078224568 1255337101 /nfs/dbraw/zinc/33/71/01/1255337101.db2.gz OHOWREUGESYNEL-KFKAGJAMSA-N 2 1 361.486 0.950 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001078230638 1255344588 /nfs/dbraw/zinc/34/45/88/1255344588.db2.gz KRZCWSJNLANLFL-KFKAGJAMSA-N 2 1 361.486 0.950 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)nn1 ZINC001078403518 1255407206 /nfs/dbraw/zinc/40/72/06/1255407206.db2.gz AYZOHQMFRGXTSJ-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)nn1 ZINC001078403518 1255407208 /nfs/dbraw/zinc/40/72/08/1255407208.db2.gz AYZOHQMFRGXTSJ-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001079146709 1255459077 /nfs/dbraw/zinc/45/90/77/1255459077.db2.gz BXZAFGXFNGELMN-IPMKNSEASA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001079146709 1255459082 /nfs/dbraw/zinc/45/90/82/1255459082.db2.gz BXZAFGXFNGELMN-IPMKNSEASA-N 2 1 361.486 0.394 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001079146709 1255459086 /nfs/dbraw/zinc/45/90/86/1255459086.db2.gz BXZAFGXFNGELMN-IPMKNSEASA-N 2 1 361.486 0.394 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079198569 1255470745 /nfs/dbraw/zinc/47/07/45/1255470745.db2.gz HFIWONSEEZXWAH-RRQGHBQHSA-N 2 1 362.449 0.537 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079260959 1255492091 /nfs/dbraw/zinc/49/20/91/1255492091.db2.gz YABYTHNYEHNTED-FGTMMUONSA-N 2 1 365.518 0.793 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079300312 1255503755 /nfs/dbraw/zinc/50/37/55/1255503755.db2.gz BLWRNRACDKNETG-USXIJHARSA-N 2 1 362.449 0.679 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079310694 1255506020 /nfs/dbraw/zinc/50/60/20/1255506020.db2.gz DSRCDNSRCXIWDE-JLJPHGGASA-N 2 1 362.449 0.679 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001079318404 1255507233 /nfs/dbraw/zinc/50/72/33/1255507233.db2.gz BIKLWFIIKSXIOX-UKPHBRMFSA-N 2 1 362.449 0.537 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730741 1255586711 /nfs/dbraw/zinc/58/67/11/1255586711.db2.gz MBOCDIAXQQOLRR-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC001079730741 1255586718 /nfs/dbraw/zinc/58/67/18/1255586718.db2.gz MBOCDIAXQQOLRR-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2C)CC[NH+]1C ZINC001079730741 1255586725 /nfs/dbraw/zinc/58/67/25/1255586725.db2.gz MBOCDIAXQQOLRR-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2C)CC[NH+]1C ZINC001079730741 1255586730 /nfs/dbraw/zinc/58/67/30/1255586730.db2.gz MBOCDIAXQQOLRR-YYIAUSFCSA-N 2 1 366.506 0.012 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001079949217 1255677065 /nfs/dbraw/zinc/67/70/65/1255677065.db2.gz UAXZTNIBVAPDEU-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1=O ZINC001079949217 1255677073 /nfs/dbraw/zinc/67/70/73/1255677073.db2.gz UAXZTNIBVAPDEU-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001080038066 1255720638 /nfs/dbraw/zinc/72/06/38/1255720638.db2.gz YWIBYNCOUVWTKV-RHSMWYFYSA-N 2 1 360.506 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161209 1255765788 /nfs/dbraw/zinc/76/57/88/1255765788.db2.gz RFOWJGNULFTKPR-QCZOYZIOSA-N 2 1 359.474 0.183 20 0 FCADMP C[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161209 1255765793 /nfs/dbraw/zinc/76/57/93/1255765793.db2.gz RFOWJGNULFTKPR-QCZOYZIOSA-N 2 1 359.474 0.183 20 0 FCADMP C[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161209 1255765799 /nfs/dbraw/zinc/76/57/99/1255765799.db2.gz RFOWJGNULFTKPR-QCZOYZIOSA-N 2 1 359.474 0.183 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080455966 1255896102 /nfs/dbraw/zinc/89/61/02/1255896102.db2.gz GGWWVHBPYSTCTP-IIDMSEBBSA-N 2 1 360.502 0.975 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080455966 1255896106 /nfs/dbraw/zinc/89/61/06/1255896106.db2.gz GGWWVHBPYSTCTP-IIDMSEBBSA-N 2 1 360.502 0.975 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080541473 1255925004 /nfs/dbraw/zinc/92/50/04/1255925004.db2.gz VSDVDSADKYMYFA-HUUCEWRRSA-N 2 1 362.478 0.468 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080541473 1255925008 /nfs/dbraw/zinc/92/50/08/1255925008.db2.gz VSDVDSADKYMYFA-HUUCEWRRSA-N 2 1 362.478 0.468 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593328 1255946632 /nfs/dbraw/zinc/94/66/32/1255946632.db2.gz VUXSBVWDFJSSRL-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593328 1255946635 /nfs/dbraw/zinc/94/66/35/1255946635.db2.gz VUXSBVWDFJSSRL-RHSMWYFYSA-N 2 1 359.478 0.429 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754274 1256018767 /nfs/dbraw/zinc/01/87/67/1256018767.db2.gz FRQRTBHRPAJGTA-ZTFGCOKTSA-N 2 1 362.518 0.776 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786533 1256038127 /nfs/dbraw/zinc/03/81/27/1256038127.db2.gz PENHHFSPJRAZRH-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080876847 1256069776 /nfs/dbraw/zinc/06/97/76/1256069776.db2.gz SFKVCHQZZYPRMS-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081115948 1256183939 /nfs/dbraw/zinc/18/39/39/1256183939.db2.gz WTFNBMOIICDOJN-KSZLIROESA-N 2 1 358.486 0.929 20 0 FCADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081227217 1256212719 /nfs/dbraw/zinc/21/27/19/1256212719.db2.gz WQBXIKHHFBPGKF-ZWKOTPCHSA-N 2 1 368.485 0.995 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880069 1256426897 /nfs/dbraw/zinc/42/68/97/1256426897.db2.gz ITMSXCNCWFSHIQ-IAGOWNOFSA-N 2 1 369.429 0.363 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880069 1256426901 /nfs/dbraw/zinc/42/69/01/1256426901.db2.gz ITMSXCNCWFSHIQ-IAGOWNOFSA-N 2 1 369.429 0.363 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001081980231 1256481211 /nfs/dbraw/zinc/48/12/11/1256481211.db2.gz NNAGQNAEZFPPAP-KURKYZTESA-N 2 1 361.490 0.573 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001081980231 1256481216 /nfs/dbraw/zinc/48/12/16/1256481216.db2.gz NNAGQNAEZFPPAP-KURKYZTESA-N 2 1 361.490 0.573 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133407 1256550831 /nfs/dbraw/zinc/55/08/31/1256550831.db2.gz APEPAKXPAMORFD-KFKAGJAMSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133407 1256550834 /nfs/dbraw/zinc/55/08/34/1256550834.db2.gz APEPAKXPAMORFD-KFKAGJAMSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133407 1256550840 /nfs/dbraw/zinc/55/08/40/1256550840.db2.gz APEPAKXPAMORFD-KFKAGJAMSA-N 2 1 361.486 0.979 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133407 1256550843 /nfs/dbraw/zinc/55/08/43/1256550843.db2.gz APEPAKXPAMORFD-KFKAGJAMSA-N 2 1 361.486 0.979 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082146158 1256562750 /nfs/dbraw/zinc/56/27/50/1256562750.db2.gz SWKFCSLRTICLSX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082146158 1256562755 /nfs/dbraw/zinc/56/27/55/1256562755.db2.gz SWKFCSLRTICLSX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082146158 1256562759 /nfs/dbraw/zinc/56/27/59/1256562759.db2.gz SWKFCSLRTICLSX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082146158 1256562763 /nfs/dbraw/zinc/56/27/63/1256562763.db2.gz SWKFCSLRTICLSX-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082197084 1256584673 /nfs/dbraw/zinc/58/46/73/1256584673.db2.gz RFYLAXIUXUECQP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001082197084 1256584677 /nfs/dbraw/zinc/58/46/77/1256584677.db2.gz RFYLAXIUXUECQP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001082197084 1256584682 /nfs/dbraw/zinc/58/46/82/1256584682.db2.gz RFYLAXIUXUECQP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001082197084 1256584686 /nfs/dbraw/zinc/58/46/86/1256584686.db2.gz RFYLAXIUXUECQP-IXDOHACOSA-N 2 1 368.522 0.545 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326470 1256666375 /nfs/dbraw/zinc/66/63/75/1256666375.db2.gz FDQDMPTWYFLMJG-RCCFBDPRSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326470 1256666382 /nfs/dbraw/zinc/66/63/82/1256666382.db2.gz FDQDMPTWYFLMJG-RCCFBDPRSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326470 1256666389 /nfs/dbraw/zinc/66/63/89/1256666389.db2.gz FDQDMPTWYFLMJG-RCCFBDPRSA-N 2 1 363.506 0.657 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369094 1256718244 /nfs/dbraw/zinc/71/82/44/1256718244.db2.gz XWXHUCLXPLRMOV-IAOVAPTHSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369094 1256718245 /nfs/dbraw/zinc/71/82/45/1256718245.db2.gz XWXHUCLXPLRMOV-IAOVAPTHSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369094 1256718249 /nfs/dbraw/zinc/71/82/49/1256718249.db2.gz XWXHUCLXPLRMOV-IAOVAPTHSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369094 1256718253 /nfs/dbraw/zinc/71/82/53/1256718253.db2.gz XWXHUCLXPLRMOV-IAOVAPTHSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369095 1256718593 /nfs/dbraw/zinc/71/85/93/1256718593.db2.gz XWXHUCLXPLRMOV-KBRIMQKVSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369095 1256718597 /nfs/dbraw/zinc/71/85/97/1256718597.db2.gz XWXHUCLXPLRMOV-KBRIMQKVSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369095 1256718601 /nfs/dbraw/zinc/71/86/01/1256718601.db2.gz XWXHUCLXPLRMOV-KBRIMQKVSA-N 2 1 359.430 0.490 20 0 FCADMP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369095 1256718606 /nfs/dbraw/zinc/71/86/06/1256718606.db2.gz XWXHUCLXPLRMOV-KBRIMQKVSA-N 2 1 359.430 0.490 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082449923 1256767306 /nfs/dbraw/zinc/76/73/06/1256767306.db2.gz OVQJUWLDEZNTFW-RBSFLKMASA-N 2 1 363.510 0.501 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082508081 1256794151 /nfs/dbraw/zinc/79/41/51/1256794151.db2.gz PGZWZYYPWALZIR-BRWVUGGUSA-N 2 1 366.506 0.155 20 0 FCADMP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515748 1256800011 /nfs/dbraw/zinc/80/00/11/1256800011.db2.gz XDYHDQHUVILJIO-MZMPZRCHSA-N 2 1 360.506 0.885 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082555820 1256851217 /nfs/dbraw/zinc/85/12/17/1256851217.db2.gz MIUYVCJUPFGFAQ-IXDOHACOSA-N 2 1 365.522 0.426 20 0 FCADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557962 1256854222 /nfs/dbraw/zinc/85/42/22/1256854222.db2.gz QVGPINIGZOSBSF-ZTFGCOKTSA-N 2 1 371.489 0.548 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082559259 1256858736 /nfs/dbraw/zinc/85/87/36/1256858736.db2.gz ZQPNRGVHQLMAEJ-OAGGEKHMSA-N 2 1 359.474 0.819 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653646 1256957697 /nfs/dbraw/zinc/95/76/97/1256957697.db2.gz WBVNBPJTTZEYLY-WOKQFXJHSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653646 1256957701 /nfs/dbraw/zinc/95/77/01/1256957701.db2.gz WBVNBPJTTZEYLY-WOKQFXJHSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082705706 1256996838 /nfs/dbraw/zinc/99/68/38/1256996838.db2.gz WIIKQVHCMDHPLM-ORIJERBGSA-N 2 1 361.494 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082705706 1256996840 /nfs/dbraw/zinc/99/68/40/1256996840.db2.gz WIIKQVHCMDHPLM-ORIJERBGSA-N 2 1 361.494 0.675 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082861652 1257113716 /nfs/dbraw/zinc/11/37/16/1257113716.db2.gz JWIKNLDWENIQKW-QLFBSQMISA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001082861652 1257113719 /nfs/dbraw/zinc/11/37/19/1257113719.db2.gz JWIKNLDWENIQKW-QLFBSQMISA-N 2 1 363.510 0.706 20 0 FCADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1 ZINC001082919741 1257144158 /nfs/dbraw/zinc/14/41/58/1257144158.db2.gz DHOXQGDOGIXPRA-FHLIZLRMSA-N 2 1 358.486 0.934 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001082922373 1257146157 /nfs/dbraw/zinc/14/61/57/1257146157.db2.gz ZTWVXQFAHIXVAJ-KBRIMQKVSA-N 2 1 359.474 0.781 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001082933872 1257154510 /nfs/dbraw/zinc/15/45/10/1257154510.db2.gz MTTBNJJBAGOHSH-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)C1 ZINC001082933872 1257154511 /nfs/dbraw/zinc/15/45/11/1257154511.db2.gz MTTBNJJBAGOHSH-DJIMGWMZSA-N 2 1 362.474 0.043 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001082942609 1257160407 /nfs/dbraw/zinc/16/04/07/1257160407.db2.gz MRQZIGKOEGTTHL-HZPDHXFCSA-N 2 1 363.510 0.896 20 0 FCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083110595 1257335072 /nfs/dbraw/zinc/33/50/72/1257335072.db2.gz LJNHXYGLGVVZOU-FGTMMUONSA-N 2 1 361.490 0.669 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cccn3)C[C@@H]21 ZINC001083110595 1257335076 /nfs/dbraw/zinc/33/50/76/1257335076.db2.gz LJNHXYGLGVVZOU-FGTMMUONSA-N 2 1 361.490 0.669 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083110595 1257335086 /nfs/dbraw/zinc/33/50/86/1257335086.db2.gz LJNHXYGLGVVZOU-FGTMMUONSA-N 2 1 361.490 0.669 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083110595 1257335095 /nfs/dbraw/zinc/33/50/95/1257335095.db2.gz LJNHXYGLGVVZOU-FGTMMUONSA-N 2 1 361.490 0.669 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083132507 1257378563 /nfs/dbraw/zinc/37/85/63/1257378563.db2.gz ZEPUBUZPMBQXPB-FHLIZLRMSA-N 2 1 356.426 0.896 20 0 FCADMP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083132508 1257378789 /nfs/dbraw/zinc/37/87/89/1257378789.db2.gz ZEPUBUZPMBQXPB-JCGIZDLHSA-N 2 1 356.426 0.896 20 0 FCADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001083149083 1257405108 /nfs/dbraw/zinc/40/51/08/1257405108.db2.gz XNLMGNFUJVYSGS-VVJOJPPRSA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083149083 1257405113 /nfs/dbraw/zinc/40/51/13/1257405113.db2.gz XNLMGNFUJVYSGS-VVJOJPPRSA-N 2 1 361.486 0.561 20 0 FCADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083149083 1257405115 /nfs/dbraw/zinc/40/51/15/1257405115.db2.gz XNLMGNFUJVYSGS-VVJOJPPRSA-N 2 1 361.486 0.561 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)CC1 ZINC001083750397 1257489238 /nfs/dbraw/zinc/48/92/38/1257489238.db2.gz UYHPDAFXBCSUMD-SJORKVTESA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)CC1 ZINC001083750397 1257489244 /nfs/dbraw/zinc/48/92/44/1257489244.db2.gz UYHPDAFXBCSUMD-SJORKVTESA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083750136 1257489593 /nfs/dbraw/zinc/48/95/93/1257489593.db2.gz HKYFUQNMLLXFRQ-KURKYZTESA-N 2 1 365.449 0.362 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC001083750136 1257489597 /nfs/dbraw/zinc/48/95/97/1257489597.db2.gz HKYFUQNMLLXFRQ-KURKYZTESA-N 2 1 365.449 0.362 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778000 1257517203 /nfs/dbraw/zinc/51/72/03/1257517203.db2.gz XAHQDUKMJLKULR-GJYPPUQNSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778000 1257517210 /nfs/dbraw/zinc/51/72/10/1257517210.db2.gz XAHQDUKMJLKULR-GJYPPUQNSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778000 1257517216 /nfs/dbraw/zinc/51/72/16/1257517216.db2.gz XAHQDUKMJLKULR-GJYPPUQNSA-N 2 1 371.497 0.929 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)C1 ZINC001083778000 1257517222 /nfs/dbraw/zinc/51/72/22/1257517222.db2.gz XAHQDUKMJLKULR-GJYPPUQNSA-N 2 1 371.497 0.929 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780953 1257524254 /nfs/dbraw/zinc/52/42/54/1257524254.db2.gz PUJHHCFHMXGKTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780953 1257524259 /nfs/dbraw/zinc/52/42/59/1257524259.db2.gz PUJHHCFHMXGKTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780953 1257524264 /nfs/dbraw/zinc/52/42/64/1257524264.db2.gz PUJHHCFHMXGKTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cc1 ZINC001083780953 1257524267 /nfs/dbraw/zinc/52/42/67/1257524267.db2.gz PUJHHCFHMXGKTL-LZQZEXGQSA-N 2 1 361.486 0.836 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083781700 1257525768 /nfs/dbraw/zinc/52/57/68/1257525768.db2.gz RZNBURCDHGGMNW-NXHRZFHOSA-N 2 1 362.474 0.342 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083781700 1257525773 /nfs/dbraw/zinc/52/57/73/1257525773.db2.gz RZNBURCDHGGMNW-NXHRZFHOSA-N 2 1 362.474 0.342 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782624 1257528803 /nfs/dbraw/zinc/52/88/03/1257528803.db2.gz DSCZBGQZNCHZAN-KURKYZTESA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782624 1257528806 /nfs/dbraw/zinc/52/88/06/1257528806.db2.gz DSCZBGQZNCHZAN-KURKYZTESA-N 2 1 367.534 0.821 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)C1 ZINC001083782624 1257528810 /nfs/dbraw/zinc/52/88/10/1257528810.db2.gz DSCZBGQZNCHZAN-KURKYZTESA-N 2 1 367.534 0.821 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1 ZINC001083955087 1257743736 /nfs/dbraw/zinc/74/37/36/1257743736.db2.gz WBPFIKGLUMXZFC-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083955087 1257743743 /nfs/dbraw/zinc/74/37/43/1257743743.db2.gz WBPFIKGLUMXZFC-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1 ZINC001083955087 1257743746 /nfs/dbraw/zinc/74/37/46/1257743746.db2.gz WBPFIKGLUMXZFC-QRQLOZEOSA-N 2 1 361.486 0.741 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958055 1257748381 /nfs/dbraw/zinc/74/83/81/1257748381.db2.gz WRNJKRONTJVDCM-SJORKVTESA-N 2 1 363.433 0.462 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958055 1257748387 /nfs/dbraw/zinc/74/83/87/1257748387.db2.gz WRNJKRONTJVDCM-SJORKVTESA-N 2 1 363.433 0.462 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052877 1257862403 /nfs/dbraw/zinc/86/24/03/1257862403.db2.gz KRGXWDDXCKVOCU-UHOSZYNNSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052877 1257862414 /nfs/dbraw/zinc/86/24/14/1257862414.db2.gz KRGXWDDXCKVOCU-UHOSZYNNSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001084052877 1257862420 /nfs/dbraw/zinc/86/24/20/1257862420.db2.gz KRGXWDDXCKVOCU-UHOSZYNNSA-N 2 1 354.454 0.848 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052947 1257865481 /nfs/dbraw/zinc/86/54/81/1257865481.db2.gz NKCKZCVZDVRNMO-KSZLIROESA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052947 1257865486 /nfs/dbraw/zinc/86/54/86/1257865486.db2.gz NKCKZCVZDVRNMO-KSZLIROESA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001084052947 1257865490 /nfs/dbraw/zinc/86/54/90/1257865490.db2.gz NKCKZCVZDVRNMO-KSZLIROESA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001084090831 1257915531 /nfs/dbraw/zinc/91/55/31/1257915531.db2.gz KRZCWSJNLANLFL-LZQZEXGQSA-N 2 1 361.486 0.950 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231874 1257978843 /nfs/dbraw/zinc/97/88/43/1257978843.db2.gz NJJYYVKTLWWFKL-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231874 1257978849 /nfs/dbraw/zinc/97/88/49/1257978849.db2.gz NJJYYVKTLWWFKL-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231874 1257978862 /nfs/dbraw/zinc/97/88/62/1257978862.db2.gz NJJYYVKTLWWFKL-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001084231874 1257978865 /nfs/dbraw/zinc/97/88/65/1257978865.db2.gz NJJYYVKTLWWFKL-KZNAEPCWSA-N 2 1 356.470 0.912 20 0 FCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331135188 1266154678 /nfs/dbraw/zinc/15/46/78/1266154678.db2.gz WJALEVAWQKGVEE-BZSNNMDCSA-N 2 1 370.497 0.976 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCn4cccn4)C[C@H]32)n1 ZINC001084352097 1258043874 /nfs/dbraw/zinc/04/38/74/1258043874.db2.gz QFPOFVYJOUYUFT-SJLPKXTDSA-N 2 1 371.489 0.488 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084523406 1258149875 /nfs/dbraw/zinc/14/98/75/1258149875.db2.gz FFDOHFQOZTYCLD-IAGOWNOFSA-N 2 1 355.442 0.623 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084523406 1258149878 /nfs/dbraw/zinc/14/98/78/1258149878.db2.gz FFDOHFQOZTYCLD-IAGOWNOFSA-N 2 1 355.442 0.623 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+]1CCCC1 ZINC001084572045 1258179487 /nfs/dbraw/zinc/17/94/87/1258179487.db2.gz RTGSWAFOVUWSHK-HZPDHXFCSA-N 2 1 363.506 0.419 20 0 FCADMP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+]1CCCC1 ZINC001084572045 1258179494 /nfs/dbraw/zinc/17/94/94/1258179494.db2.gz RTGSWAFOVUWSHK-HZPDHXFCSA-N 2 1 363.506 0.419 20 0 FCADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001331195745 1266167586 /nfs/dbraw/zinc/16/75/86/1266167586.db2.gz HXAUWEZAEDDFSW-DCIVCYTQSA-N 2 1 356.470 0.430 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001084631159 1258211339 /nfs/dbraw/zinc/21/13/39/1258211339.db2.gz FPARTDCXZONDMJ-QZTJIDSGSA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCNC(=O)CC4)C[C@H]32)CC1 ZINC001084630899 1258211500 /nfs/dbraw/zinc/21/15/00/1258211500.db2.gz ZCWQUWGTEHIGLR-KBAYOESNSA-N 2 1 362.518 0.777 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702183 1258250400 /nfs/dbraw/zinc/25/04/00/1258250400.db2.gz LKVAJPDFBRMYEP-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084702183 1258250403 /nfs/dbraw/zinc/25/04/03/1258250403.db2.gz LKVAJPDFBRMYEP-KZNAEPCWSA-N 2 1 362.518 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084833207 1258379609 /nfs/dbraw/zinc/37/96/09/1258379609.db2.gz SZLZWKFOBPEHPS-BRWVUGGUSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084833207 1258379618 /nfs/dbraw/zinc/37/96/18/1258379618.db2.gz SZLZWKFOBPEHPS-BRWVUGGUSA-N 2 1 359.474 0.641 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]32)n1 ZINC001084906004 1258429566 /nfs/dbraw/zinc/42/95/66/1258429566.db2.gz XAMFCVHIACNJOH-KURKYZTESA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]32)n1 ZINC001084906004 1258429571 /nfs/dbraw/zinc/42/95/71/1258429571.db2.gz XAMFCVHIACNJOH-KURKYZTESA-N 2 1 360.506 0.912 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]32)n1 ZINC001084906004 1258429575 /nfs/dbraw/zinc/42/95/75/1258429575.db2.gz XAMFCVHIACNJOH-KURKYZTESA-N 2 1 360.506 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084943783 1258456311 /nfs/dbraw/zinc/45/63/11/1258456311.db2.gz ZUNRZWQVCAAOIB-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)CC[NH+]1C ZINC001084943783 1258456314 /nfs/dbraw/zinc/45/63/14/1258456314.db2.gz ZUNRZWQVCAAOIB-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)CC[NH+]1C ZINC001084943783 1258456317 /nfs/dbraw/zinc/45/63/17/1258456317.db2.gz ZUNRZWQVCAAOIB-TVFCKZIOSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998150 1258506276 /nfs/dbraw/zinc/50/62/76/1258506276.db2.gz WRSFPAALCXCRBD-HHXXYDBFSA-N 2 1 362.518 0.872 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998150 1258506278 /nfs/dbraw/zinc/50/62/78/1258506278.db2.gz WRSFPAALCXCRBD-HHXXYDBFSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)CC1 ZINC001085022643 1258528833 /nfs/dbraw/zinc/52/88/33/1258528833.db2.gz YIPKICAKNFVXSN-AEFFLSMTSA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001085033514 1258536482 /nfs/dbraw/zinc/53/64/82/1258536482.db2.gz KRDOPNAEBKAQTE-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001085033514 1258536484 /nfs/dbraw/zinc/53/64/84/1258536484.db2.gz KRDOPNAEBKAQTE-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001085033514 1258536489 /nfs/dbraw/zinc/53/64/89/1258536489.db2.gz KRDOPNAEBKAQTE-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001085033514 1258536495 /nfs/dbraw/zinc/53/64/95/1258536495.db2.gz KRDOPNAEBKAQTE-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033203 1258536761 /nfs/dbraw/zinc/53/67/61/1258536761.db2.gz VOXYRUCHGIDCRN-ZRGWGRIASA-N 2 1 368.497 0.868 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033203 1258536766 /nfs/dbraw/zinc/53/67/66/1258536766.db2.gz VOXYRUCHGIDCRN-ZRGWGRIASA-N 2 1 368.497 0.868 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033203 1258536774 /nfs/dbraw/zinc/53/67/74/1258536774.db2.gz VOXYRUCHGIDCRN-ZRGWGRIASA-N 2 1 368.497 0.868 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033203 1258536779 /nfs/dbraw/zinc/53/67/79/1258536779.db2.gz VOXYRUCHGIDCRN-ZRGWGRIASA-N 2 1 368.497 0.868 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1)[NH+](C)C ZINC001085035014 1258538133 /nfs/dbraw/zinc/53/81/33/1258538133.db2.gz BMEDPYJNPLXDSO-IKGGRYGDSA-N 2 1 366.506 0.108 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074740 1258570179 /nfs/dbraw/zinc/57/01/79/1258570179.db2.gz AJPPNSMJIFKIHH-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074740 1258570185 /nfs/dbraw/zinc/57/01/85/1258570185.db2.gz AJPPNSMJIFKIHH-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCCC4)[C@H]3C2)C1 ZINC001085074740 1258570190 /nfs/dbraw/zinc/57/01/90/1258570190.db2.gz AJPPNSMJIFKIHH-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085093712 1258587623 /nfs/dbraw/zinc/58/76/23/1258587623.db2.gz XUTDPKTYSOBMOU-SQNIBIBYSA-N 2 1 361.490 0.263 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096634 1258591923 /nfs/dbraw/zinc/59/19/23/1258591923.db2.gz MIMJSGYSRFRTTE-SQNIBIBYSA-N 2 1 361.490 0.527 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096634 1258591930 /nfs/dbraw/zinc/59/19/30/1258591930.db2.gz MIMJSGYSRFRTTE-SQNIBIBYSA-N 2 1 361.490 0.527 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096634 1258591940 /nfs/dbraw/zinc/59/19/40/1258591940.db2.gz MIMJSGYSRFRTTE-SQNIBIBYSA-N 2 1 361.490 0.527 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCn4cccn4)[C@H]3C2)C1 ZINC001085096634 1258591947 /nfs/dbraw/zinc/59/19/47/1258591947.db2.gz MIMJSGYSRFRTTE-SQNIBIBYSA-N 2 1 361.490 0.527 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001088140704 1258653042 /nfs/dbraw/zinc/65/30/42/1258653042.db2.gz ZUCXJEUZYWXCPD-QRVBRYPASA-N 2 1 365.518 0.916 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001088140704 1258653053 /nfs/dbraw/zinc/65/30/53/1258653053.db2.gz ZUCXJEUZYWXCPD-QRVBRYPASA-N 2 1 365.518 0.916 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088172863 1258694000 /nfs/dbraw/zinc/69/40/00/1258694000.db2.gz HXHHFTWLTMWZLH-JKIFEVAISA-N 2 1 357.458 0.430 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001088202004 1258724142 /nfs/dbraw/zinc/72/41/42/1258724142.db2.gz GEQQBRRZJFXYPX-SJORKVTESA-N 2 1 356.474 0.948 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001088202004 1258724146 /nfs/dbraw/zinc/72/41/46/1258724146.db2.gz GEQQBRRZJFXYPX-SJORKVTESA-N 2 1 356.474 0.948 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207971 1258729847 /nfs/dbraw/zinc/72/98/47/1258729847.db2.gz FXGHSIQLKLHSNW-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207971 1258729851 /nfs/dbraw/zinc/72/98/51/1258729851.db2.gz FXGHSIQLKLHSNW-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207971 1258729859 /nfs/dbraw/zinc/72/98/59/1258729859.db2.gz FXGHSIQLKLHSNW-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccnn4C)CC[C@@H]3C2)C1 ZINC001088207971 1258729865 /nfs/dbraw/zinc/72/98/65/1258729865.db2.gz FXGHSIQLKLHSNW-RYRKJORJSA-N 2 1 361.490 0.421 20 0 FCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331395411 1266207071 /nfs/dbraw/zinc/20/70/71/1266207071.db2.gz DIQDSMIZNRKYRS-RCCFBDPRSA-N 2 1 367.538 0.600 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001088235423 1258749524 /nfs/dbraw/zinc/74/95/24/1258749524.db2.gz RDBWYCUWZWCWLD-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001088235423 1258749530 /nfs/dbraw/zinc/74/95/30/1258749530.db2.gz RDBWYCUWZWCWLD-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CO[C@@H]3CC[N@H+](CCO)C3)CC2)O1 ZINC001088235423 1258749536 /nfs/dbraw/zinc/74/95/36/1258749536.db2.gz RDBWYCUWZWCWLD-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(CO[C@@H]3CC[N@@H+](CCO)C3)CC2)O1 ZINC001088235423 1258749545 /nfs/dbraw/zinc/74/95/45/1258749545.db2.gz RDBWYCUWZWCWLD-KBAYOESNSA-N 2 1 369.506 0.027 20 0 FCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725718 1258821181 /nfs/dbraw/zinc/82/11/81/1258821181.db2.gz XEOMWLSSVFDIRO-GZOSKZMVSA-N 2 1 363.506 0.632 20 0 FCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725718 1258821185 /nfs/dbraw/zinc/82/11/85/1258821185.db2.gz XEOMWLSSVFDIRO-GZOSKZMVSA-N 2 1 363.506 0.632 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725718 1258821190 /nfs/dbraw/zinc/82/11/90/1258821190.db2.gz XEOMWLSSVFDIRO-GZOSKZMVSA-N 2 1 363.506 0.632 20 0 FCADMP Cc1nn(C)cc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725718 1258821192 /nfs/dbraw/zinc/82/11/92/1258821192.db2.gz XEOMWLSSVFDIRO-GZOSKZMVSA-N 2 1 363.506 0.632 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828164 1258857485 /nfs/dbraw/zinc/85/74/85/1258857485.db2.gz HOGLTRKRKCBGOL-XPKDYRNWSA-N 2 1 369.425 0.437 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829814 1258860246 /nfs/dbraw/zinc/86/02/46/1258860246.db2.gz IIAAKLGQALVHJC-FRFSOERESA-N 2 1 355.442 0.863 20 0 FCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001331454116 1266218092 /nfs/dbraw/zinc/21/80/92/1266218092.db2.gz RVYJJSFQSQEOBW-IEBWSBKVSA-N 2 1 365.522 0.178 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001100438023 1258911248 /nfs/dbraw/zinc/91/12/48/1258911248.db2.gz LKGURLHFVMZDTN-LHUBUQBQSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001100438023 1258911255 /nfs/dbraw/zinc/91/12/55/1258911255.db2.gz LKGURLHFVMZDTN-LHUBUQBQSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)C1 ZINC001106666772 1258936618 /nfs/dbraw/zinc/93/66/18/1258936618.db2.gz ULFZAKVPVAAENT-ARFHVFGLSA-N 2 1 364.490 0.161 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106665367 1258936762 /nfs/dbraw/zinc/93/67/62/1258936762.db2.gz UIJOFWLOHPSEJF-RBSFLKMASA-N 2 1 363.462 0.782 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)C2 ZINC001106667042 1258936956 /nfs/dbraw/zinc/93/69/56/1258936956.db2.gz FVSDSFIXKHWQSX-HYVNUMGLSA-N 2 1 371.489 0.730 20 0 FCADMP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874869 1258985270 /nfs/dbraw/zinc/98/52/70/1258985270.db2.gz VZSAKTOKIPRZAA-IXDOHACOSA-N 2 1 368.522 0.165 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106907895 1258993973 /nfs/dbraw/zinc/99/39/73/1258993973.db2.gz HUBKVFSTYBJDMI-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907421 1258994807 /nfs/dbraw/zinc/99/48/07/1258994807.db2.gz KOGNXIFKXZGTBP-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2)C1CC1 ZINC001107439165 1259088365 /nfs/dbraw/zinc/08/83/65/1259088365.db2.gz TXZDYJMXEHMYFO-IMFGXOCKSA-N 2 1 362.518 0.920 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522663 1259107303 /nfs/dbraw/zinc/10/73/03/1259107303.db2.gz NGNNBAGKBNHWNN-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)CCC[NH+](C)C)CCC[C@@H]23)nc1=O ZINC001107522835 1259107371 /nfs/dbraw/zinc/10/73/71/1259107371.db2.gz WWTYEFINOKBWAJ-RDTXWAMCSA-N 2 1 364.494 0.311 20 0 FCADMP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609429 1259132365 /nfs/dbraw/zinc/13/23/65/1259132365.db2.gz ROWFRIMKVPKTNV-IEBWSBKVSA-N 2 1 371.522 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[NH+](CCn3cccn3)CCO2)CC[N@@H+]1C ZINC001107952632 1259147979 /nfs/dbraw/zinc/14/79/79/1259147979.db2.gz IWYCIEOOWQQUBY-YQVWRLOYSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[NH+](CCn3cccn3)CCO2)CC[N@H+]1C ZINC001107952632 1259147983 /nfs/dbraw/zinc/14/79/83/1259147983.db2.gz IWYCIEOOWQQUBY-YQVWRLOYSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCn3cccn3)CCO2)CC[NH+]1C ZINC001107952632 1259147985 /nfs/dbraw/zinc/14/79/85/1259147985.db2.gz IWYCIEOOWQQUBY-YQVWRLOYSA-N 2 1 363.506 0.821 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCn3cccn3)CCO2)CC[NH+]1C ZINC001107952632 1259147987 /nfs/dbraw/zinc/14/79/87/1259147987.db2.gz IWYCIEOOWQQUBY-YQVWRLOYSA-N 2 1 363.506 0.821 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1 ZINC001109404678 1259157846 /nfs/dbraw/zinc/15/78/46/1259157846.db2.gz HFIKMDJLXTXUMY-OWSLCNJRSA-N 2 1 360.506 0.957 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C3)n1 ZINC001109404678 1259157851 /nfs/dbraw/zinc/15/78/51/1259157851.db2.gz HFIKMDJLXTXUMY-OWSLCNJRSA-N 2 1 360.506 0.957 20 0 FCADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1nncn1C ZINC001127571230 1259181819 /nfs/dbraw/zinc/18/18/19/1259181819.db2.gz ODDDNFFYVWGKKA-BMFZPTHFSA-N 2 1 364.494 0.329 20 0 FCADMP COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127644332 1259182749 /nfs/dbraw/zinc/18/27/49/1259182749.db2.gz ZSSVPMUNOGPZBM-GDBMZVCRSA-N 2 1 362.474 0.357 20 0 FCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660329 1259184485 /nfs/dbraw/zinc/18/44/85/1259184485.db2.gz VXYOZSBNTKWVLU-GZBFAFLISA-N 2 1 364.494 0.410 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@@H+]1C ZINC001127701537 1259185017 /nfs/dbraw/zinc/18/50/17/1259185017.db2.gz SHSSQUJJRACXEM-JKSUJKDBSA-N 2 1 357.462 0.598 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001127701537 1259185023 /nfs/dbraw/zinc/18/50/23/1259185023.db2.gz SHSSQUJJRACXEM-JKSUJKDBSA-N 2 1 357.462 0.598 20 0 FCADMP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004251 1259288202 /nfs/dbraw/zinc/28/82/02/1259288202.db2.gz NOXGAUNCSQTLGU-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004251 1259288206 /nfs/dbraw/zinc/28/82/06/1259288206.db2.gz NOXGAUNCSQTLGU-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004251 1259288215 /nfs/dbraw/zinc/28/82/15/1259288215.db2.gz NOXGAUNCSQTLGU-HZMVEIRTSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072292 1259307334 /nfs/dbraw/zinc/30/73/34/1259307334.db2.gz XMVJTLGNKFGZQP-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072292 1259307340 /nfs/dbraw/zinc/30/73/40/1259307340.db2.gz XMVJTLGNKFGZQP-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129084078 1259307632 /nfs/dbraw/zinc/30/76/32/1259307632.db2.gz BNUQLWIVXKDBQX-CVEARBPZSA-N 2 1 364.494 0.265 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001129084078 1259307638 /nfs/dbraw/zinc/30/76/38/1259307638.db2.gz BNUQLWIVXKDBQX-CVEARBPZSA-N 2 1 364.494 0.265 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129084078 1259307643 /nfs/dbraw/zinc/30/76/43/1259307643.db2.gz BNUQLWIVXKDBQX-CVEARBPZSA-N 2 1 364.494 0.265 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129084078 1259307650 /nfs/dbraw/zinc/30/76/50/1259307650.db2.gz BNUQLWIVXKDBQX-CVEARBPZSA-N 2 1 364.494 0.265 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)C1CCCCC1 ZINC001129127638 1259323758 /nfs/dbraw/zinc/32/37/58/1259323758.db2.gz IYVUFAWHLUDNPT-SJORKVTESA-N 2 1 364.494 0.267 20 0 FCADMP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1)C1CCCCC1 ZINC001129127638 1259323762 /nfs/dbraw/zinc/32/37/62/1259323762.db2.gz IYVUFAWHLUDNPT-SJORKVTESA-N 2 1 364.494 0.267 20 0 FCADMP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1)C1CCCCC1 ZINC001129127638 1259323772 /nfs/dbraw/zinc/32/37/72/1259323772.db2.gz IYVUFAWHLUDNPT-SJORKVTESA-N 2 1 364.494 0.267 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C1CCCCC1 ZINC001129127638 1259323780 /nfs/dbraw/zinc/32/37/80/1259323780.db2.gz IYVUFAWHLUDNPT-SJORKVTESA-N 2 1 364.494 0.267 20 0 FCADMP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C1CCCCC1 ZINC001129127638 1259323788 /nfs/dbraw/zinc/32/37/88/1259323788.db2.gz IYVUFAWHLUDNPT-SJORKVTESA-N 2 1 364.494 0.267 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228314 1259349401 /nfs/dbraw/zinc/34/94/01/1259349401.db2.gz NFWBRGTVCWSEAX-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1C ZINC001141564779 1259379554 /nfs/dbraw/zinc/37/95/54/1259379554.db2.gz LTLXPIQBZWNTJO-RDJZCZTQSA-N 2 1 366.506 0.488 20 0 FCADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1C ZINC001141564779 1259379557 /nfs/dbraw/zinc/37/95/57/1259379557.db2.gz LTLXPIQBZWNTJO-RDJZCZTQSA-N 2 1 366.506 0.488 20 0 FCADMP O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC([NH2+]C2COC2)C1 ZINC001157594536 1259385179 /nfs/dbraw/zinc/38/51/79/1259385179.db2.gz JRCQYLKVJJEUGG-UHFFFAOYSA-N 2 1 359.470 0.704 20 0 FCADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180610003 1259395642 /nfs/dbraw/zinc/39/56/42/1259395642.db2.gz CFABLSCYXGBOGS-MRXNPFEDSA-N 2 1 360.458 0.957 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001200637007 1259419325 /nfs/dbraw/zinc/41/93/25/1259419325.db2.gz NYMWYUKUDAKKBM-UKRRQHHQSA-N 2 1 363.462 0.842 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001331670107 1266262196 /nfs/dbraw/zinc/26/21/96/1266262196.db2.gz TXOPRHVHFPFIIZ-BZSNNMDCSA-N 2 1 358.486 0.615 20 0 FCADMP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405786 1259491616 /nfs/dbraw/zinc/49/16/16/1259491616.db2.gz BZXWKURKLVHFMG-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405786 1259491618 /nfs/dbraw/zinc/49/16/18/1259491618.db2.gz BZXWKURKLVHFMG-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212405786 1259491621 /nfs/dbraw/zinc/49/16/21/1259491621.db2.gz BZXWKURKLVHFMG-KZNAEPCWSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407719 1259493784 /nfs/dbraw/zinc/49/37/84/1259493784.db2.gz DBHMYKJRBYJLJA-HZPDHXFCSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410090 1259495155 /nfs/dbraw/zinc/49/51/55/1259495155.db2.gz OGKKYGGIISXUFK-BRWVUGGUSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410090 1259495162 /nfs/dbraw/zinc/49/51/62/1259495162.db2.gz OGKKYGGIISXUFK-BRWVUGGUSA-N 2 1 364.494 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419246 1259499690 /nfs/dbraw/zinc/49/96/90/1259499690.db2.gz XRSJZLDWACIEMJ-BZUAXINKSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212419246 1259499693 /nfs/dbraw/zinc/49/96/93/1259499693.db2.gz XRSJZLDWACIEMJ-BZUAXINKSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212419246 1259499697 /nfs/dbraw/zinc/49/96/97/1259499697.db2.gz XRSJZLDWACIEMJ-BZUAXINKSA-N 2 1 362.478 0.065 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212486873 1259521824 /nfs/dbraw/zinc/52/18/24/1259521824.db2.gz HMCBEMIFSSCEKU-HUUCEWRRSA-N 2 1 367.494 0.856 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212486873 1259521827 /nfs/dbraw/zinc/52/18/27/1259521827.db2.gz HMCBEMIFSSCEKU-HUUCEWRRSA-N 2 1 367.494 0.856 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212486873 1259521830 /nfs/dbraw/zinc/52/18/30/1259521830.db2.gz HMCBEMIFSSCEKU-HUUCEWRRSA-N 2 1 367.494 0.856 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212486873 1259521833 /nfs/dbraw/zinc/52/18/33/1259521833.db2.gz HMCBEMIFSSCEKU-HUUCEWRRSA-N 2 1 367.494 0.856 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230056 1259537039 /nfs/dbraw/zinc/53/70/39/1259537039.db2.gz WRMGNSCEQYKJNH-QLFBSQMISA-N 2 1 369.510 0.387 20 0 FCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cnn4ccccc34)CC[C@@H]2C1 ZINC001233237128 1259547153 /nfs/dbraw/zinc/54/71/53/1259547153.db2.gz OKVCQWFTQLIJOT-VQIMIIECSA-N 2 1 371.485 0.945 20 0 FCADMP [NH3+]CCNC(=O)c1cccc(C[NH+]2CCC(C(=O)N3CCNCC3)CC2)c1 ZINC001235299642 1259568996 /nfs/dbraw/zinc/56/89/96/1259568996.db2.gz VHYKOYIJVARVOP-UHFFFAOYSA-N 2 1 373.501 0.019 20 0 FCADMP CCOC(=O)c1cc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)[nH]n1 ZINC001236027092 1259585277 /nfs/dbraw/zinc/58/52/77/1259585277.db2.gz IPSWFVHKPSFUJO-KEIZMWOVSA-N 2 1 362.430 0.417 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2c[nH]ccc2=O)CC3)CC1 ZINC001237840235 1259611671 /nfs/dbraw/zinc/61/16/71/1259611671.db2.gz NZTILEUXAIPVHI-UHFFFAOYSA-N 2 1 354.458 0.518 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2c[nH]ccc2=O)CC3)CC1 ZINC001237840235 1259611683 /nfs/dbraw/zinc/61/16/83/1259611683.db2.gz NZTILEUXAIPVHI-UHFFFAOYSA-N 2 1 354.458 0.518 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccccc2-c2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC001241900141 1259631693 /nfs/dbraw/zinc/63/16/93/1259631693.db2.gz OLSZTESXJPKVFH-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP C[C@@](O)(C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCc1ccccc1 ZINC001245986059 1259643242 /nfs/dbraw/zinc/64/32/42/1259643242.db2.gz NZHZMCYOUOIHIR-PKOBYXMFSA-N 2 1 361.486 0.945 20 0 FCADMP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001246153237 1259648251 /nfs/dbraw/zinc/64/82/51/1259648251.db2.gz RIHFNZKMCOKGJR-RLFDKKOZSA-N 2 1 356.470 0.586 20 0 FCADMP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001246153237 1259648260 /nfs/dbraw/zinc/64/82/60/1259648260.db2.gz RIHFNZKMCOKGJR-RLFDKKOZSA-N 2 1 356.470 0.586 20 0 FCADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246485475 1259654263 /nfs/dbraw/zinc/65/42/63/1259654263.db2.gz LWLMPXRSJBWKGD-ZWKOTPCHSA-N 3 1 360.502 0.911 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641721 1259657975 /nfs/dbraw/zinc/65/79/75/1259657975.db2.gz XJGOTZWYLOFZMH-RRFJBIMHSA-N 2 1 374.489 0.429 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641721 1259657984 /nfs/dbraw/zinc/65/79/84/1259657984.db2.gz XJGOTZWYLOFZMH-RRFJBIMHSA-N 2 1 374.489 0.429 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680576 1259659522 /nfs/dbraw/zinc/65/95/22/1259659522.db2.gz VWCCCTBEWMFVKD-UAGQMJEPSA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC2)C1 ZINC001246680576 1259659532 /nfs/dbraw/zinc/65/95/32/1259659532.db2.gz VWCCCTBEWMFVKD-UAGQMJEPSA-N 2 1 367.490 0.629 20 0 FCADMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CN[C@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682884 1259660288 /nfs/dbraw/zinc/66/02/88/1259660288.db2.gz OMXKWMKCGSYKDT-LNMJFAINSA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@@]12CN([C@@H]3C[NH2+][C@](CC)(C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246682884 1259660305 /nfs/dbraw/zinc/66/03/05/1259660305.db2.gz OMXKWMKCGSYKDT-LNMJFAINSA-N 2 1 367.490 0.535 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001246698469 1259660880 /nfs/dbraw/zinc/66/08/80/1259660880.db2.gz FPVITFTWECWICK-CWEAOACVSA-N 2 1 371.485 0.969 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001246698469 1259660887 /nfs/dbraw/zinc/66/08/87/1259660887.db2.gz FPVITFTWECWICK-CWEAOACVSA-N 2 1 371.485 0.969 20 0 FCADMP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC001246691522 1259662263 /nfs/dbraw/zinc/66/22/63/1259662263.db2.gz YHJJTQSZXQOKGL-FJIDUMEYSA-N 2 1 362.518 0.476 20 0 FCADMP O=C(CC1CC1)N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]2CCCO[C@H]12 ZINC001246694235 1259662753 /nfs/dbraw/zinc/66/27/53/1259662753.db2.gz MZMFUHADWQCJEE-BMFAXAFESA-N 2 1 362.518 0.476 20 0 FCADMP Cn1ncc2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2COc1cccnc1 ZINC001246696275 1259662824 /nfs/dbraw/zinc/66/28/24/1259662824.db2.gz QYKFFRFVHZHURK-JKSUJKDBSA-N 2 1 368.485 0.887 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@]12CCN(c1cccnc1)C2=O ZINC001246705819 1259664506 /nfs/dbraw/zinc/66/45/06/1259664506.db2.gz YTJZPRRIPONFEG-GQIGUUNPSA-N 2 1 355.486 0.850 20 0 FCADMP Cc1cccc(CO[C@@H]2C[C@@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@H+]3C2)n1 ZINC001246709225 1259666262 /nfs/dbraw/zinc/66/62/62/1259666262.db2.gz QWQWXXLMCJTQPG-VAMGGRTRSA-N 2 1 371.529 0.759 20 0 FCADMP CC(C)C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452943 1259668624 /nfs/dbraw/zinc/66/86/24/1259668624.db2.gz RDNPMEAZZFBAQO-KURKYZTESA-N 2 1 354.539 0.608 20 0 FCADMP CC(C)C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452943 1259668633 /nfs/dbraw/zinc/66/86/33/1259668633.db2.gz RDNPMEAZZFBAQO-KURKYZTESA-N 2 1 354.539 0.608 20 0 FCADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721570 1259669290 /nfs/dbraw/zinc/66/92/90/1259669290.db2.gz OHIBIZNOAYVSJQ-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721570 1259669300 /nfs/dbraw/zinc/66/93/00/1259669300.db2.gz OHIBIZNOAYVSJQ-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721570 1259669310 /nfs/dbraw/zinc/66/93/10/1259669310.db2.gz OHIBIZNOAYVSJQ-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C(=O)OC)NC1)C2 ZINC001246721570 1259669320 /nfs/dbraw/zinc/66/93/20/1259669320.db2.gz OHIBIZNOAYVSJQ-FTEYMNFISA-N 2 1 365.518 0.960 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739519 1259675193 /nfs/dbraw/zinc/67/51/93/1259675193.db2.gz KFKFFMNBPZOMJC-PEJOBZMASA-N 2 1 359.474 0.684 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)C[NH2+]1 ZINC001246739519 1259675201 /nfs/dbraw/zinc/67/52/01/1259675201.db2.gz KFKFFMNBPZOMJC-PEJOBZMASA-N 2 1 359.474 0.684 20 0 FCADMP O=C(NC1CCCC1)c1nn([C@@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]CC2 ZINC001246745709 1259676684 /nfs/dbraw/zinc/67/66/84/1259676684.db2.gz FZUUHABTXFMRLJ-CQSZACIVSA-N 2 1 358.490 0.468 20 0 FCADMP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246745605 1259677319 /nfs/dbraw/zinc/67/73/19/1259677319.db2.gz GBPHPURHPFGKPY-HXUWFJFHSA-N 2 1 373.501 0.847 20 0 FCADMP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246745605 1259677324 /nfs/dbraw/zinc/67/73/24/1259677324.db2.gz GBPHPURHPFGKPY-HXUWFJFHSA-N 2 1 373.501 0.847 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC[C@@H]32)cn1 ZINC001246750632 1259679322 /nfs/dbraw/zinc/67/93/22/1259679322.db2.gz GBLIGHGWYWCFEV-RVMBUKDFSA-N 2 1 373.501 0.770 20 0 FCADMP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC[C@@H]32)cn1 ZINC001246750632 1259679330 /nfs/dbraw/zinc/67/93/30/1259679330.db2.gz GBLIGHGWYWCFEV-RVMBUKDFSA-N 2 1 373.501 0.770 20 0 FCADMP O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766023 1259684428 /nfs/dbraw/zinc/68/44/28/1259684428.db2.gz OKCVTUGVPPAAOI-JXFKEZNVSA-N 2 1 374.485 0.681 20 0 FCADMP Cn1cc(N2CC[C@@]3(CCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768943 1259687270 /nfs/dbraw/zinc/68/72/70/1259687270.db2.gz CZPHAYVDRMAGDZ-MAUKXSAKSA-N 2 1 358.490 0.333 20 0 FCADMP O=C([C@H]1C[C@@]2(CO1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)N1CCOCC1 ZINC001246774331 1259689499 /nfs/dbraw/zinc/68/94/99/1259689499.db2.gz MLFYWZIFRMMWKH-BISRIHTFSA-N 2 1 363.502 0.999 20 0 FCADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCNCC[NH2+]CCNCC3)CCO2)cc1 ZINC001246819548 1259690309 /nfs/dbraw/zinc/69/03/09/1259690309.db2.gz GUCFTJGCYBDZPJ-QUCCMNQESA-N 2 1 362.518 1.000 20 0 FCADMP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4C[NH2+]CC[C@H]4O)n3)c2)CC1 ZINC001247754546 1259704799 /nfs/dbraw/zinc/70/47/99/1259704799.db2.gz ANMUKWYDIVCWQQ-DLBZAZTESA-N 2 1 357.458 0.922 20 0 FCADMP CCn1nc(C)c(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC001335569286 1259721317 /nfs/dbraw/zinc/72/13/17/1259721317.db2.gz UGUDSOSTDAIWNH-IYBDPMFKSA-N 2 1 361.494 0.717 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001251760048 1259758332 /nfs/dbraw/zinc/75/83/32/1259758332.db2.gz VZVPWCBBUSIHGW-QGZVFWFLSA-N 2 1 366.506 0.748 20 0 FCADMP COC(=O)[C@H](O)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252416790 1259785995 /nfs/dbraw/zinc/78/59/95/1259785995.db2.gz CUMSNBRCOKLSSU-BRSBDYLESA-N 2 1 370.490 0.501 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181594 1259825354 /nfs/dbraw/zinc/82/53/54/1259825354.db2.gz FVHUUDBINHIKSU-MSOLQXFVSA-N 2 1 365.518 0.816 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001253182957 1259827144 /nfs/dbraw/zinc/82/71/44/1259827144.db2.gz WDUSKIFITCIXJY-XDNAFOTISA-N 2 1 369.506 0.438 20 0 FCADMP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253389116 1259838086 /nfs/dbraw/zinc/83/80/86/1259838086.db2.gz UPHWBLUSRXBPOO-MDZRGWNJSA-N 2 1 371.522 0.464 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677217 1259849990 /nfs/dbraw/zinc/84/99/90/1259849990.db2.gz FSNWUMUHZSUJGQ-BRWVUGGUSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677217 1259849998 /nfs/dbraw/zinc/84/99/98/1259849998.db2.gz FSNWUMUHZSUJGQ-BRWVUGGUSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677217 1259850005 /nfs/dbraw/zinc/85/00/05/1259850005.db2.gz FSNWUMUHZSUJGQ-BRWVUGGUSA-N 2 1 364.490 0.876 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001253677217 1259850012 /nfs/dbraw/zinc/85/00/12/1259850012.db2.gz FSNWUMUHZSUJGQ-BRWVUGGUSA-N 2 1 364.490 0.876 20 0 FCADMP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254505746 1259888346 /nfs/dbraw/zinc/88/83/46/1259888346.db2.gz IFYMPCCTILXKFG-YOEHRIQHSA-N 2 1 365.474 0.927 20 0 FCADMP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254505746 1259888351 /nfs/dbraw/zinc/88/83/51/1259888351.db2.gz IFYMPCCTILXKFG-YOEHRIQHSA-N 2 1 365.474 0.927 20 0 FCADMP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001255433373 1259913347 /nfs/dbraw/zinc/91/33/47/1259913347.db2.gz IDCCWHMCZBNSIJ-OAHLLOKOSA-N 2 1 370.505 0.596 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001522012406 1266299507 /nfs/dbraw/zinc/29/95/07/1266299507.db2.gz ZBIBTZUFLMMHCR-FUHWJXTLSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001522012406 1266299514 /nfs/dbraw/zinc/29/95/14/1266299514.db2.gz ZBIBTZUFLMMHCR-FUHWJXTLSA-N 2 1 367.538 0.103 20 0 FCADMP [NH3+]C1CCN(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001336194500 1260036243 /nfs/dbraw/zinc/03/62/43/1260036243.db2.gz XSUXZFGNQDCTPC-HDICACEKSA-N 4 1 364.538 0.020 20 0 FCADMP [NH3+]C1CCN(CCNC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC001336194500 1260036250 /nfs/dbraw/zinc/03/62/50/1260036250.db2.gz XSUXZFGNQDCTPC-HDICACEKSA-N 4 1 364.538 0.020 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270978 1260063930 /nfs/dbraw/zinc/06/39/30/1260063930.db2.gz IBAUGCVIAWQKGH-GMBSWORKSA-N 2 1 360.458 0.608 20 0 FCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC001261423498 1260138519 /nfs/dbraw/zinc/13/85/19/1260138519.db2.gz XYITURLQDLSYDL-UHFFFAOYSA-N 2 1 358.486 0.979 20 0 FCADMP [NH3+]CCN(CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC001261501704 1260151226 /nfs/dbraw/zinc/15/12/26/1260151226.db2.gz KNAXYMZYZVGYDB-LJQANCHMSA-N 2 1 360.502 0.771 20 0 FCADMP [NH3+]C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCOCC1 ZINC001336909448 1260250695 /nfs/dbraw/zinc/25/06/95/1260250695.db2.gz YJJDSRJUBVNXIW-IYBDPMFKSA-N 3 1 351.495 0.105 20 0 FCADMP [NH3+]C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCOCC1 ZINC001336909448 1260250700 /nfs/dbraw/zinc/25/07/00/1260250700.db2.gz YJJDSRJUBVNXIW-IYBDPMFKSA-N 2 1 351.495 0.105 20 0 FCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001262066221 1260254900 /nfs/dbraw/zinc/25/49/00/1260254900.db2.gz VTNMKCPAWLDLJU-ULQDDVLXSA-N 2 1 367.538 0.008 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001262073306 1260256862 /nfs/dbraw/zinc/25/68/62/1260256862.db2.gz NNYQPBLBOFKLRT-MAEOIBBWSA-N 2 1 358.486 0.883 20 0 FCADMP O=C(NC[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001337016930 1260285977 /nfs/dbraw/zinc/28/59/77/1260285977.db2.gz YPWFVLBXYIBKEQ-SJORKVTESA-N 2 1 353.511 0.224 20 0 FCADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337078528 1260303035 /nfs/dbraw/zinc/30/30/35/1260303035.db2.gz YWYYEXFABWRZJS-IAGOWNOFSA-N 2 1 354.539 0.923 20 0 FCADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)[C@@H]1CN(C)CCO1 ZINC001262578070 1260329480 /nfs/dbraw/zinc/32/94/80/1260329480.db2.gz HNPUKPKEBPOTOF-BGTYHANMSA-N 3 1 365.522 0.316 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1=O ZINC001262574005 1260329648 /nfs/dbraw/zinc/32/96/48/1260329648.db2.gz ILPZQXVWIYQASK-YOEHRIQHSA-N 2 1 371.428 0.767 20 0 FCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[NH2+]CCN2C)c1 ZINC001263099882 1260339356 /nfs/dbraw/zinc/33/93/56/1260339356.db2.gz XLQGNAFTYRYEGW-GOSISDBHSA-N 2 1 364.490 0.163 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001263756091 1260355651 /nfs/dbraw/zinc/35/56/51/1260355651.db2.gz FDFRRJNQXBCTKO-OXJNMPFZSA-N 2 1 372.513 0.648 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001337498477 1260417208 /nfs/dbraw/zinc/41/72/08/1260417208.db2.gz HSPQRUADRXYANO-CGTJXYLNSA-N 2 1 358.486 0.820 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]2C1 ZINC001337805829 1260488438 /nfs/dbraw/zinc/48/84/38/1260488438.db2.gz OKDKZLCVNANEKF-ARFHVFGLSA-N 3 1 363.506 0.622 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]2C1 ZINC001337805829 1260488440 /nfs/dbraw/zinc/48/84/40/1260488440.db2.gz OKDKZLCVNANEKF-ARFHVFGLSA-N 2 1 363.506 0.622 20 0 FCADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001272868415 1260521107 /nfs/dbraw/zinc/52/11/07/1260521107.db2.gz SRTJBYFNNHSASU-HDICACEKSA-N 2 1 359.518 0.933 20 0 FCADMP C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001272868415 1260521113 /nfs/dbraw/zinc/52/11/13/1260521113.db2.gz SRTJBYFNNHSASU-HDICACEKSA-N 2 1 359.518 0.933 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217993 1260627142 /nfs/dbraw/zinc/62/71/42/1260627142.db2.gz PCFJFLKQXCHHOF-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)C1 ZINC001273217993 1260627151 /nfs/dbraw/zinc/62/71/51/1260627151.db2.gz PCFJFLKQXCHHOF-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217993 1260627160 /nfs/dbraw/zinc/62/71/60/1260627160.db2.gz PCFJFLKQXCHHOF-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)C1 ZINC001273217993 1260627169 /nfs/dbraw/zinc/62/71/69/1260627169.db2.gz PCFJFLKQXCHHOF-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP CN1CC[NH+](CCCN2CCC3(CC[NH+](CC(C)(C)O)CC3)C2=O)CC1 ZINC001277761005 1260666561 /nfs/dbraw/zinc/66/65/61/1260666561.db2.gz DZEHOXKDTRSYQS-UHFFFAOYSA-N 2 1 366.550 0.709 20 0 FCADMP CCCCOC[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277778680 1260670402 /nfs/dbraw/zinc/67/04/02/1260670402.db2.gz RBOXWCGMTCLLIY-IEBWSBKVSA-N 2 1 371.522 0.277 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001278183276 1260686805 /nfs/dbraw/zinc/68/68/05/1260686805.db2.gz JFRWVTIRKTWKBH-ULQDDVLXSA-N 2 1 368.522 0.942 20 0 FCADMP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCOCC4)CC3)[C@H]2C1 ZINC001278464181 1260694921 /nfs/dbraw/zinc/69/49/21/1260694921.db2.gz IOEICLLBYLMOSP-ROUUACIJSA-N 2 1 364.534 0.487 20 0 FCADMP O=C1CC[C@@H](C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472467 1260695981 /nfs/dbraw/zinc/69/59/81/1260695981.db2.gz NMLVXHUGTDMRJB-XIRDDKMYSA-N 2 1 360.502 0.720 20 0 FCADMP COC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)nc1 ZINC001278628513 1260715321 /nfs/dbraw/zinc/71/53/21/1260715321.db2.gz UBOIHDVOXORKKB-HOTGVXAUSA-N 2 1 358.442 0.510 20 0 FCADMP COC(=O)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)nc1 ZINC001278628513 1260715324 /nfs/dbraw/zinc/71/53/24/1260715324.db2.gz UBOIHDVOXORKKB-HOTGVXAUSA-N 2 1 358.442 0.510 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@@H]2CC[N@@H+](CCN3CCOCC3)[C@@H]2C1 ZINC001279247211 1260812147 /nfs/dbraw/zinc/81/21/47/1260812147.db2.gz RKSCPVHLUCQJAL-IPMKNSEASA-N 2 1 362.518 0.336 20 0 FCADMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001279500855 1260881329 /nfs/dbraw/zinc/88/13/29/1260881329.db2.gz FJXKPLTWFOCOPA-SJORKVTESA-N 2 1 368.522 0.800 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001279619422 1260902160 /nfs/dbraw/zinc/90/21/60/1260902160.db2.gz BJCWGJODYDWPOS-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3cccc(-n4cncn4)c3)C[C@H](C1)O2 ZINC001279674834 1260913433 /nfs/dbraw/zinc/91/34/33/1260913433.db2.gz OIQXSPBCMORUDR-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3cccc(-n4cncn4)c3)C[C@H](C1)O2 ZINC001279674834 1260913436 /nfs/dbraw/zinc/91/34/36/1260913436.db2.gz OIQXSPBCMORUDR-KDURUIRLSA-N 2 1 356.474 0.714 20 0 FCADMP COC[C@H](O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1 ZINC001279710298 1260918727 /nfs/dbraw/zinc/91/87/27/1260918727.db2.gz PJKKIDZOKDNQCL-KBRIMQKVSA-N 2 1 367.465 0.879 20 0 FCADMP COCC[N@@H+]1CCn2c(nnc2C(=O)N2CCC([NH+](C)C)CC2)C[C@H]1C ZINC001279721396 1260921312 /nfs/dbraw/zinc/92/13/12/1260921312.db2.gz CIDANECKNBTTLL-CQSZACIVSA-N 2 1 364.494 0.337 20 0 FCADMP COCC[N@H+]1CCn2c(nnc2C(=O)N2CCC([NH+](C)C)CC2)C[C@H]1C ZINC001279721396 1260921317 /nfs/dbraw/zinc/92/13/17/1260921317.db2.gz CIDANECKNBTTLL-CQSZACIVSA-N 2 1 364.494 0.337 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cn4ccncc4n2)C3)CC1 ZINC001279743346 1260926815 /nfs/dbraw/zinc/92/68/15/1260926815.db2.gz FUWMHGZBKNKZDO-AUUYWEPGSA-N 2 1 354.458 0.762 20 0 FCADMP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cn4ccncc4n2)C3)CC1 ZINC001279743346 1260926818 /nfs/dbraw/zinc/92/68/18/1260926818.db2.gz FUWMHGZBKNKZDO-AUUYWEPGSA-N 2 1 354.458 0.762 20 0 FCADMP CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991769 /nfs/dbraw/zinc/99/17/69/1260991769.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 2 1 360.506 0.328 20 0 FCADMP CN1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991770 /nfs/dbraw/zinc/99/17/70/1260991770.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 2 1 360.506 0.328 20 0 FCADMP CN1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991772 /nfs/dbraw/zinc/99/17/72/1260991772.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 2 1 360.506 0.328 20 0 FCADMP C[NH+]1CCC(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCc2c[nH]cn2)CC1 ZINC001280124965 1261010864 /nfs/dbraw/zinc/01/08/64/1261010864.db2.gz BVKKPUNFQZTGEP-MLHJIOFPSA-N 2 1 361.490 0.582 20 0 FCADMP C[NH+]1CCC(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCc2cnc[nH]2)CC1 ZINC001280124965 1261010869 /nfs/dbraw/zinc/01/08/69/1261010869.db2.gz BVKKPUNFQZTGEP-MLHJIOFPSA-N 2 1 361.490 0.582 20 0 FCADMP C[NH+]1CCC(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCc2cnc[nH]2)CC1 ZINC001280124965 1261010872 /nfs/dbraw/zinc/01/08/72/1261010872.db2.gz BVKKPUNFQZTGEP-MLHJIOFPSA-N 2 1 361.490 0.582 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CCc3n[nH]c(C(=O)NCc4c[nH]cn4)c3C2)CC1 ZINC001280124910 1261010947 /nfs/dbraw/zinc/01/09/47/1261010947.db2.gz AAOFYYLPTGDKGR-UHFFFAOYSA-N 2 1 357.462 0.763 20 0 FCADMP C[NH+]1CCC(CN2CCc3n[nH]c(C(=O)NCc4c[nH]cn4)c3C2)CC1 ZINC001280124910 1261010953 /nfs/dbraw/zinc/01/09/53/1261010953.db2.gz AAOFYYLPTGDKGR-UHFFFAOYSA-N 2 1 357.462 0.763 20 0 FCADMP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280155040 1261016245 /nfs/dbraw/zinc/01/62/45/1261016245.db2.gz VQTXTAGXGPBZGQ-HOTGVXAUSA-N 2 1 360.458 0.590 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280170195 1261019885 /nfs/dbraw/zinc/01/98/85/1261019885.db2.gz TVCPNFCXZWWEIK-IBGZPJMESA-N 2 1 367.538 0.073 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280170195 1261019888 /nfs/dbraw/zinc/01/98/88/1261019888.db2.gz TVCPNFCXZWWEIK-IBGZPJMESA-N 2 1 367.538 0.073 20 0 FCADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001332333428 1266379068 /nfs/dbraw/zinc/37/90/68/1266379068.db2.gz BGXIYJAPZLONIE-QZTJIDSGSA-N 2 1 362.474 0.364 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001280210726 1261033947 /nfs/dbraw/zinc/03/39/47/1261033947.db2.gz GYPKUQRJHQJCOW-ALXJQNPVSA-N 2 1 364.534 0.881 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H]4COc5ccccc5O4)CC3)[C@@H]2C1 ZINC001280227940 1261040628 /nfs/dbraw/zinc/04/06/28/1261040628.db2.gz MDKYPMCXYZELAT-ARFHVFGLSA-N 2 1 357.454 0.969 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@H](C(=O)NCC(=O)N(C)C)O3)CC1 ZINC001280250312 1261042314 /nfs/dbraw/zinc/04/23/14/1261042314.db2.gz LROFRZBEHBMUIU-MRXNPFEDSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)Nc4nccn4C)=NO[C@@H]3C2)CC1 ZINC001280249406 1261042421 /nfs/dbraw/zinc/04/24/21/1261042421.db2.gz SIWDMSLOAANQTB-LSDHHAIUSA-N 2 1 360.462 0.777 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281852078 1261234908 /nfs/dbraw/zinc/23/49/08/1261234908.db2.gz PZSMQDZATADYPV-IXDOHACOSA-N 2 1 368.522 0.543 20 0 FCADMP C[NH+](C)CCCC1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001332505155 1266418103 /nfs/dbraw/zinc/41/81/03/1266418103.db2.gz IMYOKWOERJTDPW-UHFFFAOYSA-N 2 1 365.526 0.954 20 0 FCADMP Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116658 1261637580 /nfs/dbraw/zinc/63/75/80/1261637580.db2.gz IBBIAXZMTAMSJN-CVEARBPZSA-N 2 1 373.501 0.802 20 0 FCADMP [NH3+]CCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001580302695 1278110677 /nfs/dbraw/zinc/11/06/77/1278110677.db2.gz NHRIBYCEJJHWTH-JKSUJKDBSA-N 2 1 364.494 0.637 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580320795 1278121259 /nfs/dbraw/zinc/12/12/59/1278121259.db2.gz JIFGMQHNHYDTKJ-XYPHTWIQSA-N 2 1 369.473 0.897 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001289920469 1262372096 /nfs/dbraw/zinc/37/20/96/1262372096.db2.gz HKYUWSSUPRBEGO-IAGOWNOFSA-N 2 1 368.522 0.594 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001290527341 1262464334 /nfs/dbraw/zinc/46/43/34/1262464334.db2.gz BLGPEQVLIKFNRK-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001290527341 1262464336 /nfs/dbraw/zinc/46/43/36/1262464336.db2.gz BLGPEQVLIKFNRK-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001290527341 1262464339 /nfs/dbraw/zinc/46/43/39/1262464339.db2.gz BLGPEQVLIKFNRK-ZJPYXAASSA-N 2 1 364.534 0.975 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332544 1262923122 /nfs/dbraw/zinc/92/31/22/1262923122.db2.gz PPEBKZINAHYFBL-QAETUUGQSA-N 2 1 366.481 0.574 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332544 1262923127 /nfs/dbraw/zinc/92/31/27/1262923127.db2.gz PPEBKZINAHYFBL-QAETUUGQSA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332544 1262923134 /nfs/dbraw/zinc/92/31/34/1262923134.db2.gz PPEBKZINAHYFBL-QAETUUGQSA-N 2 1 366.481 0.574 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1=O ZINC001298332544 1262923139 /nfs/dbraw/zinc/92/31/39/1262923139.db2.gz PPEBKZINAHYFBL-QAETUUGQSA-N 2 1 366.481 0.574 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC001477274880 1263083829 /nfs/dbraw/zinc/08/38/29/1263083829.db2.gz CJRWAGQYCONIFW-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC001477274880 1263083838 /nfs/dbraw/zinc/08/38/38/1263083838.db2.gz CJRWAGQYCONIFW-ZBFHGGJFSA-N 2 1 351.495 0.323 20 0 FCADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304849595 1263151796 /nfs/dbraw/zinc/15/17/96/1263151796.db2.gz DSRNCRMCTGGAPP-ZBFHGGJFSA-N 2 1 363.510 0.279 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001479669756 1263325517 /nfs/dbraw/zinc/32/55/17/1263325517.db2.gz KWMHYVUKIQWYCM-BBWFWOEESA-N 2 1 371.547 0.543 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479672477 1263336807 /nfs/dbraw/zinc/33/68/07/1263336807.db2.gz JNJQFBZMCIKTJU-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479672477 1263336815 /nfs/dbraw/zinc/33/68/15/1263336815.db2.gz JNJQFBZMCIKTJU-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479672477 1263336826 /nfs/dbraw/zinc/33/68/26/1263336826.db2.gz JNJQFBZMCIKTJU-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479672477 1263336837 /nfs/dbraw/zinc/33/68/37/1263336837.db2.gz JNJQFBZMCIKTJU-CVEARBPZSA-N 2 1 359.536 0.543 20 0 FCADMP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759403 1263464824 /nfs/dbraw/zinc/46/48/24/1263464824.db2.gz HEFRCDMKYFVSRB-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759403 1263464828 /nfs/dbraw/zinc/46/48/28/1263464828.db2.gz HEFRCDMKYFVSRB-SJORKVTESA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001317392661 1263509082 /nfs/dbraw/zinc/50/90/82/1263509082.db2.gz DGXMGWUARRIMMN-BFHYXJOUSA-N 2 1 367.494 0.141 20 0 FCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC001321410971 1263955573 /nfs/dbraw/zinc/95/55/73/1263955573.db2.gz WKVMKNYOODSPLE-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001321423395 1263959088 /nfs/dbraw/zinc/95/90/88/1263959088.db2.gz VLGYYKRHVRHESO-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001321423395 1263959100 /nfs/dbraw/zinc/95/91/00/1263959100.db2.gz VLGYYKRHVRHESO-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001321423395 1263959108 /nfs/dbraw/zinc/95/91/08/1263959108.db2.gz VLGYYKRHVRHESO-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CN1CC[NH+](Cc2cccc(CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)c2)CC1 ZINC001333583464 1266639915 /nfs/dbraw/zinc/63/99/15/1266639915.db2.gz ROFZUWYFASUMHP-KRWDZBQOSA-N 2 1 359.474 0.416 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001502870478 1264183870 /nfs/dbraw/zinc/18/38/70/1264183870.db2.gz NIHIRUNOGOUYIQ-IXDOHACOSA-N 2 1 353.507 0.696 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001506958898 1264347347 /nfs/dbraw/zinc/34/73/47/1264347347.db2.gz ZVGHQXPPKFCDMF-GDBMZVCRSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001506958898 1264347360 /nfs/dbraw/zinc/34/73/60/1264347360.db2.gz ZVGHQXPPKFCDMF-GDBMZVCRSA-N 2 1 359.536 0.684 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001506958898 1264347369 /nfs/dbraw/zinc/34/73/69/1264347369.db2.gz ZVGHQXPPKFCDMF-GDBMZVCRSA-N 2 1 359.536 0.684 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)n1 ZINC001323377329 1264414717 /nfs/dbraw/zinc/41/47/17/1264414717.db2.gz GRXIMNXXMKJXPV-UHFFFAOYSA-N 2 1 359.434 0.232 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C2 ZINC001323890748 1264534854 /nfs/dbraw/zinc/53/48/54/1264534854.db2.gz CSELMUIFBKRNFE-HNNXBMFYSA-N 2 1 361.490 0.813 20 0 FCADMP CNC(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC001323922951 1264541096 /nfs/dbraw/zinc/54/10/96/1264541096.db2.gz QVKPBXGZZFMIOJ-OAHLLOKOSA-N 2 1 359.474 0.682 20 0 FCADMP CNC(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC001323922951 1264541101 /nfs/dbraw/zinc/54/11/01/1264541101.db2.gz QVKPBXGZZFMIOJ-OAHLLOKOSA-N 2 1 359.474 0.682 20 0 FCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001512947771 1264757934 /nfs/dbraw/zinc/75/79/34/1264757934.db2.gz HOPJNPDFNZWRLD-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001512947771 1264757941 /nfs/dbraw/zinc/75/79/41/1264757941.db2.gz HOPJNPDFNZWRLD-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001512982333 1264793225 /nfs/dbraw/zinc/79/32/25/1264793225.db2.gz XAAJHWVHPUCTCD-IXDOHACOSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001512982333 1264793235 /nfs/dbraw/zinc/79/32/35/1264793235.db2.gz XAAJHWVHPUCTCD-IXDOHACOSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001512982333 1264793242 /nfs/dbraw/zinc/79/32/42/1264793242.db2.gz XAAJHWVHPUCTCD-IXDOHACOSA-N 2 1 366.506 0.031 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001325426635 1264882841 /nfs/dbraw/zinc/88/28/41/1264882841.db2.gz GQPILQSVNLQFNY-RYQLBKOJSA-N 2 1 358.486 0.691 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@@H+]1CCOC ZINC001325882788 1265014276 /nfs/dbraw/zinc/01/42/76/1265014276.db2.gz VYSQVVKWMWMUDW-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@H+]1CCOC ZINC001325882788 1265014282 /nfs/dbraw/zinc/01/42/82/1265014282.db2.gz VYSQVVKWMWMUDW-SJORKVTESA-N 2 1 368.522 0.356 20 0 FCADMP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001326969986 1265210302 /nfs/dbraw/zinc/21/03/02/1265210302.db2.gz SKDZVKCJERAFGH-INIZCTEOSA-N 2 1 366.506 0.252 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001513581791 1265232031 /nfs/dbraw/zinc/23/20/31/1265232031.db2.gz AAUVWMAELBCZDO-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001513581791 1265232039 /nfs/dbraw/zinc/23/20/39/1265232039.db2.gz AAUVWMAELBCZDO-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1O ZINC001513581791 1265232048 /nfs/dbraw/zinc/23/20/48/1265232048.db2.gz AAUVWMAELBCZDO-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001332673678 1266458695 /nfs/dbraw/zinc/45/86/95/1266458695.db2.gz XXMNRTZHBKUHSA-UEXGIBASSA-N 2 1 370.497 0.965 20 0 FCADMP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC001332979928 1266516040 /nfs/dbraw/zinc/51/60/40/1266516040.db2.gz FWUWRZOWGASKFO-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC001332979928 1266516046 /nfs/dbraw/zinc/51/60/46/1266516046.db2.gz FWUWRZOWGASKFO-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC001332979928 1266516051 /nfs/dbraw/zinc/51/60/51/1266516051.db2.gz FWUWRZOWGASKFO-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC001332979928 1266516056 /nfs/dbraw/zinc/51/60/56/1266516056.db2.gz FWUWRZOWGASKFO-MSOLQXFVSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333403283 1266592959 /nfs/dbraw/zinc/59/29/59/1266592959.db2.gz BRDPRQJWDAXJLW-ZACQAIPSSA-N 2 1 373.501 0.167 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001333404741 1266593967 /nfs/dbraw/zinc/59/39/67/1266593967.db2.gz IBMSKOUUBZWAPB-BGTYHANMSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001333404741 1266593975 /nfs/dbraw/zinc/59/39/75/1266593975.db2.gz IBMSKOUUBZWAPB-BGTYHANMSA-N 2 1 374.485 0.246 20 0 FCADMP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@H+](C4CCN(C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575024 1266636088 /nfs/dbraw/zinc/63/60/88/1266636088.db2.gz RBDDXEWBODYEDN-ARFHVFGLSA-N 2 1 350.463 0.597 20 0 FCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333634635 1266659425 /nfs/dbraw/zinc/65/94/25/1266659425.db2.gz JODQIQBBLSWBQS-HOTGVXAUSA-N 2 1 351.495 0.452 20 0 FCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001528046795 1266940050 /nfs/dbraw/zinc/94/00/50/1266940050.db2.gz SYQTWIVSCWGFHP-MJGOQNOKSA-N 2 1 363.550 0.392 20 0 FCADMP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001532773877 1267186334 /nfs/dbraw/zinc/18/63/34/1267186334.db2.gz BZMITPGTORLZKF-OIISXLGYSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)n1cc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001548421910 1267701351 /nfs/dbraw/zinc/70/13/51/1267701351.db2.gz ATSJLLCFHOTGRF-QZTJIDSGSA-N 2 1 363.506 0.636 20 0 FCADMP CC(C)n1cc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2CO)cn1 ZINC001548421910 1267701360 /nfs/dbraw/zinc/70/13/60/1267701360.db2.gz ATSJLLCFHOTGRF-QZTJIDSGSA-N 2 1 363.506 0.636 20 0 FCADMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[C@H]3[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC001548998171 1267785508 /nfs/dbraw/zinc/78/55/08/1267785508.db2.gz TUTIOHXSVILVPF-JFIYKMOQSA-N 2 1 373.501 0.551 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001549151046 1267828040 /nfs/dbraw/zinc/82/80/40/1267828040.db2.gz UVXJNYYXCPPJSC-IRXDYDNUSA-N 2 1 359.474 0.951 20 0 FCADMP Cc1cc(CNC(=O)N2CC[N@H+]3C[C@@H](O)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001549151046 1267828048 /nfs/dbraw/zinc/82/80/48/1267828048.db2.gz UVXJNYYXCPPJSC-IRXDYDNUSA-N 2 1 359.474 0.951 20 0 FCADMP Cc1nn(C)cc1[C@H]1OCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001549186437 1267855998 /nfs/dbraw/zinc/85/59/98/1267855998.db2.gz JJFLOZMCEFFOQH-QZTJIDSGSA-N 2 1 371.489 0.890 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nn1 ZINC001549295573 1267892333 /nfs/dbraw/zinc/89/23/33/1267892333.db2.gz LFNREVQZKLPHNF-YQFWSFKMSA-N 2 1 362.478 0.113 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)nn1 ZINC001549295572 1267894185 /nfs/dbraw/zinc/89/41/85/1267894185.db2.gz LFNREVQZKLPHNF-YALNPMBYSA-N 2 1 362.478 0.113 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC001549347936 1267904821 /nfs/dbraw/zinc/90/48/21/1267904821.db2.gz GVQUQAQZKMDDJQ-ZACQAIPSSA-N 2 1 366.506 0.602 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761417 1267993311 /nfs/dbraw/zinc/99/33/11/1267993311.db2.gz GRTMEIIHWTVLGC-IAGOWNOFSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)n1 ZINC001549761417 1267993315 /nfs/dbraw/zinc/99/33/15/1267993315.db2.gz GRTMEIIHWTVLGC-IAGOWNOFSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC001549761417 1267993320 /nfs/dbraw/zinc/99/33/20/1267993320.db2.gz GRTMEIIHWTVLGC-IAGOWNOFSA-N 2 1 361.490 0.733 20 0 FCADMP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC001549761417 1267993324 /nfs/dbraw/zinc/99/33/24/1267993324.db2.gz GRTMEIIHWTVLGC-IAGOWNOFSA-N 2 1 361.490 0.733 20 0 FCADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+]4C[C@@H](O)C[C@@H]4C3)cc21 ZINC001549941676 1268027831 /nfs/dbraw/zinc/02/78/31/1268027831.db2.gz XMKPNEONDPSTOM-CABCVRRESA-N 2 1 373.457 0.195 20 0 FCADMP CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@H+]1CCO ZINC001338682492 1268039749 /nfs/dbraw/zinc/03/97/49/1268039749.db2.gz JHNNBKNJSMUTCO-HNNXBMFYSA-N 2 1 354.495 0.243 20 0 FCADMP Cn1nccc1[C@H]1[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)CCC[NH+]1C ZINC001550360534 1268105851 /nfs/dbraw/zinc/10/58/51/1268105851.db2.gz GGJJQFKNIRUMNV-CRAIPNDOSA-N 2 1 362.522 0.413 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001550387376 1268109319 /nfs/dbraw/zinc/10/93/19/1268109319.db2.gz DGFBKMOGWHNQFV-RCCFBDPRSA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001550387376 1268109323 /nfs/dbraw/zinc/10/93/23/1268109323.db2.gz DGFBKMOGWHNQFV-RCCFBDPRSA-N 2 1 352.523 0.506 20 0 FCADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001550387376 1268109328 /nfs/dbraw/zinc/10/93/28/1268109328.db2.gz DGFBKMOGWHNQFV-RCCFBDPRSA-N 2 1 352.523 0.506 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485830 1268127518 /nfs/dbraw/zinc/12/75/18/1268127518.db2.gz DQEPRAWNCFOCFU-HRVGUFCPSA-N 2 1 353.507 0.428 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485830 1268127525 /nfs/dbraw/zinc/12/75/25/1268127525.db2.gz DQEPRAWNCFOCFU-HRVGUFCPSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485830 1268127529 /nfs/dbraw/zinc/12/75/29/1268127529.db2.gz DQEPRAWNCFOCFU-HRVGUFCPSA-N 2 1 353.507 0.428 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550485830 1268127532 /nfs/dbraw/zinc/12/75/32/1268127532.db2.gz DQEPRAWNCFOCFU-HRVGUFCPSA-N 2 1 353.507 0.428 20 0 FCADMP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486074 1268128022 /nfs/dbraw/zinc/12/80/22/1268128022.db2.gz IMERFLQSFPZHNK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[NH+](C)C[C@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486074 1268128030 /nfs/dbraw/zinc/12/80/30/1268128030.db2.gz IMERFLQSFPZHNK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486074 1268128034 /nfs/dbraw/zinc/12/80/34/1268128034.db2.gz IMERFLQSFPZHNK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H](C)O3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486074 1268128038 /nfs/dbraw/zinc/12/80/38/1268128038.db2.gz IMERFLQSFPZHNK-LIKKTTQLSA-N 2 1 353.507 0.692 20 0 FCADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC001550541034 1268130369 /nfs/dbraw/zinc/13/03/69/1268130369.db2.gz PKJIDULFMAPSTR-IRXDYDNUSA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC001550541034 1268130373 /nfs/dbraw/zinc/13/03/73/1268130373.db2.gz PKJIDULFMAPSTR-IRXDYDNUSA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@@H]2C1 ZINC001550541034 1268130377 /nfs/dbraw/zinc/13/03/77/1268130377.db2.gz PKJIDULFMAPSTR-IRXDYDNUSA-N 2 1 358.490 0.399 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC001550567951 1268134374 /nfs/dbraw/zinc/13/43/74/1268134374.db2.gz BTFAVEVAZMRZKN-KFIFHZAASA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC001550567951 1268134381 /nfs/dbraw/zinc/13/43/81/1268134381.db2.gz BTFAVEVAZMRZKN-KFIFHZAASA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC001550567951 1268134385 /nfs/dbraw/zinc/13/43/85/1268134385.db2.gz BTFAVEVAZMRZKN-KFIFHZAASA-N 2 1 374.529 0.443 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550730316 1268158120 /nfs/dbraw/zinc/15/81/20/1268158120.db2.gz FFXLDGABXBSEPH-IRXDYDNUSA-N 2 1 366.506 0.509 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001339056680 1268159263 /nfs/dbraw/zinc/15/92/63/1268159263.db2.gz GNJUNSRYIVOJGL-UHFFFAOYSA-N 2 1 350.511 0.907 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551284900 1268222188 /nfs/dbraw/zinc/22/21/88/1268222188.db2.gz PQCGBGHAXVWUHL-TVRKMHQQSA-N 2 1 367.538 0.565 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C[C@H]1COCC2 ZINC001551427904 1268245402 /nfs/dbraw/zinc/24/54/02/1268245402.db2.gz VCTGNEQPTMXVGX-HNAYVOBHSA-N 2 1 366.506 0.060 20 0 FCADMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551466345 1268257205 /nfs/dbraw/zinc/25/72/05/1268257205.db2.gz WBJJHEYLNRMIDI-CVEARBPZSA-N 2 1 354.495 0.507 20 0 FCADMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1C ZINC001551466345 1268257211 /nfs/dbraw/zinc/25/72/11/1268257211.db2.gz WBJJHEYLNRMIDI-CVEARBPZSA-N 2 1 354.495 0.507 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551496149 1268261811 /nfs/dbraw/zinc/26/18/11/1268261811.db2.gz RBLNJAOXMUEVEB-KSZLIROESA-N 2 1 371.485 0.559 20 0 FCADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)C1 ZINC001551543531 1268264309 /nfs/dbraw/zinc/26/43/09/1268264309.db2.gz UWPGPIWKIXABDH-NILFDRSVSA-N 2 1 364.412 0.673 20 0 FCADMP Cc1[nH+]cc2n1CCN(C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)C2 ZINC001551554885 1268266539 /nfs/dbraw/zinc/26/65/39/1268266539.db2.gz KXYCZEUPRAOQOK-DOTOQJQBSA-N 2 1 360.462 0.364 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1(C)C ZINC001551556246 1268268484 /nfs/dbraw/zinc/26/84/84/1268268484.db2.gz SCENOBRYIDRUGF-GOEBONIOSA-N 2 1 351.495 0.369 20 0 FCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1(C)C ZINC001551557274 1268269156 /nfs/dbraw/zinc/26/91/56/1268269156.db2.gz UUHMJVMAYNFRFP-WBVHZDCISA-N 2 1 365.522 0.759 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556706 1268269181 /nfs/dbraw/zinc/26/91/81/1268269181.db2.gz STKBQELHMZQHPZ-HLLBOEOZSA-N 2 1 351.495 0.417 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551578083 1268276947 /nfs/dbraw/zinc/27/69/47/1268276947.db2.gz LZOGMFJJQRULJH-HLLBOEOZSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC001551586058 1268279877 /nfs/dbraw/zinc/27/98/77/1268279877.db2.gz BLVAQCINONFBPG-YUFPNPJJSA-N 2 1 363.506 0.558 20 0 FCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551592800 1268280588 /nfs/dbraw/zinc/28/05/88/1268280588.db2.gz NAVGZTLXIWXONO-YSVLISHTSA-N 2 1 351.495 0.226 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC001552008582 1268350956 /nfs/dbraw/zinc/35/09/56/1268350956.db2.gz BIAQKPHZYZCUNY-IXDOHACOSA-N 2 1 354.495 0.602 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC001552008582 1268350970 /nfs/dbraw/zinc/35/09/70/1268350970.db2.gz BIAQKPHZYZCUNY-IXDOHACOSA-N 2 1 354.495 0.602 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([C@@H]2C[NH2+]C[C@@H]2OC)nn1 ZINC001552088638 1268368085 /nfs/dbraw/zinc/36/80/85/1268368085.db2.gz FJSWABXZUZOPJQ-AIANPOQGSA-N 2 1 362.478 0.065 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC001552101866 1268375166 /nfs/dbraw/zinc/37/51/66/1268375166.db2.gz VZEUIMGAAZSJCC-MLHJIOFPSA-N 2 1 368.522 0.630 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC001552101866 1268375177 /nfs/dbraw/zinc/37/51/77/1268375177.db2.gz VZEUIMGAAZSJCC-MLHJIOFPSA-N 2 1 368.522 0.630 20 0 FCADMP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C ZINC001552166973 1268397904 /nfs/dbraw/zinc/39/79/04/1268397904.db2.gz QBDCIPYYTIKXMC-BPQIPLTHSA-N 2 1 361.490 0.355 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552201491 1268408582 /nfs/dbraw/zinc/40/85/82/1268408582.db2.gz POKSWLXWKNBKMV-MJQMVNBJSA-N 2 1 350.507 0.239 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552208241 1268410323 /nfs/dbraw/zinc/41/03/23/1268410323.db2.gz BEHKZJQPKLLYIW-KKFZBWNWSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552208241 1268410328 /nfs/dbraw/zinc/41/03/28/1268410328.db2.gz BEHKZJQPKLLYIW-KKFZBWNWSA-N 2 1 368.522 0.771 20 0 FCADMP Nc1ccc(N[C@H]2CCCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)c[nH+]1 ZINC001552286005 1268433307 /nfs/dbraw/zinc/43/33/07/1268433307.db2.gz ZXUFSWSFNNQADW-DZGCQCFKSA-N 2 1 370.461 0.897 20 0 FCADMP C[C@H]1Cn2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2C[NH2+]1 ZINC001340181245 1268461733 /nfs/dbraw/zinc/46/17/33/1268461733.db2.gz HWXKLULQUFGYLB-HNNXBMFYSA-N 3 1 350.511 0.720 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)C2(C[NH3+])CC(O)C2)c2cccs2)CC1 ZINC001340240552 1268482491 /nfs/dbraw/zinc/48/24/91/1268482491.db2.gz JYRREYZAALFUFN-UUCFBXCCSA-N 2 1 352.504 0.253 20 0 FCADMP C[C@H](CNC(=O)N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001552601418 1268485126 /nfs/dbraw/zinc/48/51/26/1268485126.db2.gz CFXPOGOGRUJLLP-NCOADZHNSA-N 2 1 363.510 0.895 20 0 FCADMP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606745 1268488718 /nfs/dbraw/zinc/48/87/18/1268488718.db2.gz JNUBVLGMNLLEKA-BRWVUGGUSA-N 2 1 361.494 0.792 20 0 FCADMP CN(Cc1cnn2c1C[NH2+]CC2)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552680670 1268520097 /nfs/dbraw/zinc/52/00/97/1268520097.db2.gz PBGCMZBSHDMUTB-CQSZACIVSA-N 2 1 358.450 0.165 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC001552707956 1268527769 /nfs/dbraw/zinc/52/77/69/1268527769.db2.gz JRNADVQZVHLPBT-IRXDYDNUSA-N 2 1 361.490 0.687 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC001552707956 1268527774 /nfs/dbraw/zinc/52/77/74/1268527774.db2.gz JRNADVQZVHLPBT-IRXDYDNUSA-N 2 1 361.490 0.687 20 0 FCADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001553013474 1268578386 /nfs/dbraw/zinc/57/83/86/1268578386.db2.gz AZPQBWDHZVDUPM-VVLHAWIVSA-N 2 1 351.491 0.497 20 0 FCADMP C[N@@H+]1CC[C@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375481 1268638335 /nfs/dbraw/zinc/63/83/35/1268638335.db2.gz XBGAWUMVAQUGMC-XLIONFOSSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)C[NH2+]C[C@@H]2C1 ZINC001553375481 1268638343 /nfs/dbraw/zinc/63/83/43/1268638343.db2.gz XBGAWUMVAQUGMC-XLIONFOSSA-N 2 1 362.518 0.779 20 0 FCADMP C[N@@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384754 1268640226 /nfs/dbraw/zinc/64/02/26/1268640226.db2.gz CINPSWLOMHPGGL-OXJNMPFZSA-N 2 1 374.460 0.651 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)C[NH2+]C[C@H]2C1 ZINC001553384754 1268640229 /nfs/dbraw/zinc/64/02/29/1268640229.db2.gz CINPSWLOMHPGGL-OXJNMPFZSA-N 2 1 374.460 0.651 20 0 FCADMP CCNC(=O)COc1ccc(NC(=O)[C@@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)cc1 ZINC001553389377 1268641822 /nfs/dbraw/zinc/64/18/22/1268641822.db2.gz LEROQRBKOWQDSV-LIRRHRJNSA-N 2 1 360.458 0.681 20 0 FCADMP CN(C)C(=O)COc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)c1 ZINC001553389187 1268643277 /nfs/dbraw/zinc/64/32/77/1268643277.db2.gz KAUWLWXANCQDDE-IFXJQAMLSA-N 2 1 360.458 0.633 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c2cccs2)CC1 ZINC001553414696 1268646966 /nfs/dbraw/zinc/64/69/66/1268646966.db2.gz FRKVIVSEDGGSKA-JONQDZQNSA-N 2 1 363.531 0.883 20 0 FCADMP Cc1nc(C[NH+]2CCC(C(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)CC2)cs1 ZINC001340780211 1268654682 /nfs/dbraw/zinc/65/46/82/1268654682.db2.gz QKKUGFHERWNHPP-QGZVFWFLSA-N 2 1 363.487 0.659 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CC1(C)C ZINC001553482679 1268658155 /nfs/dbraw/zinc/65/81/55/1268658155.db2.gz VKCBXNPCIBXWIX-OAHLLOKOSA-N 2 1 353.511 0.162 20 0 FCADMP O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001553503102 1268660086 /nfs/dbraw/zinc/66/00/86/1268660086.db2.gz MRIGJKGSAVAEJJ-BRSBDYLESA-N 2 1 366.506 0.384 20 0 FCADMP [NH3+]CCCSCCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001340865771 1268686485 /nfs/dbraw/zinc/68/64/85/1268686485.db2.gz BIGKORMMGUGLJB-INIZCTEOSA-N 2 1 358.552 0.371 20 0 FCADMP CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC001341293307 1268921885 /nfs/dbraw/zinc/92/18/85/1268921885.db2.gz FNCZLZBNMRTULG-RDJZCZTQSA-N 2 1 356.511 0.435 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001341389778 1268967991 /nfs/dbraw/zinc/96/79/91/1268967991.db2.gz XKVJHUBRJNHIBN-LMMKCTJWSA-N 2 1 355.523 0.501 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001341389777 1268968046 /nfs/dbraw/zinc/96/80/46/1268968046.db2.gz XKVJHUBRJNHIBN-AOIWGVFYSA-N 2 1 355.523 0.501 20 0 FCADMP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001341685908 1269151473 /nfs/dbraw/zinc/15/14/73/1269151473.db2.gz ZQQIJBJOQPLRFC-RDJZCZTQSA-N 2 1 359.474 0.226 20 0 FCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001566054183 1269588796 /nfs/dbraw/zinc/58/87/96/1269588796.db2.gz PVPRJSBDHWYUCI-BBWFWOEESA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC001342828463 1269629743 /nfs/dbraw/zinc/62/97/43/1269629743.db2.gz BVKHVVPGFIVUFE-GVDBMIGSSA-N 2 1 365.522 0.522 20 0 FCADMP CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568743964 1269747688 /nfs/dbraw/zinc/74/76/88/1269747688.db2.gz WBAIOPGIHHNXCD-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](O)[C@H](CO)C3)CC2)CC1 ZINC001570401648 1269876424 /nfs/dbraw/zinc/87/64/24/1269876424.db2.gz KNWVEBJHMIZXNH-FUHWJXTLSA-N 2 1 353.507 0.384 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3csnn3)CC2)CC[N@@H+]1C ZINC001570414332 1269879943 /nfs/dbraw/zinc/87/99/43/1269879943.db2.gz RYFYHGBFXKOYOZ-TZMCWYRMSA-N 2 1 353.492 0.321 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3csnn3)CC2)CC[N@H+]1C ZINC001570414332 1269879952 /nfs/dbraw/zinc/87/99/52/1269879952.db2.gz RYFYHGBFXKOYOZ-TZMCWYRMSA-N 2 1 353.492 0.321 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C[C@H]1O ZINC001572854965 1270271772 /nfs/dbraw/zinc/27/17/72/1270271772.db2.gz LMNHYTBHCNIUGO-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1O ZINC001572854965 1270271783 /nfs/dbraw/zinc/27/17/83/1270271783.db2.gz LMNHYTBHCNIUGO-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1O ZINC001572854965 1270271790 /nfs/dbraw/zinc/27/17/90/1270271790.db2.gz LMNHYTBHCNIUGO-BRWVUGGUSA-N 2 1 368.522 0.137 20 0 FCADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033302 1271016546 /nfs/dbraw/zinc/01/65/46/1271016546.db2.gz OYOGYCCANAOLNP-HNNXBMFYSA-N 2 1 360.466 0.577 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574209262 1271095802 /nfs/dbraw/zinc/09/58/02/1271095802.db2.gz DGAPWVXPOQEHOM-CZUORRHYSA-N 2 1 372.477 0.721 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574252471 1271122179 /nfs/dbraw/zinc/12/21/79/1271122179.db2.gz IEYNTSOFWBDZGM-CYBMUJFWSA-N 2 1 358.450 0.427 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001574256143 1271128330 /nfs/dbraw/zinc/12/83/30/1271128330.db2.gz YCIGCOAGORPSLQ-OAHLLOKOSA-N 2 1 374.493 0.967 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001574256140 1271128342 /nfs/dbraw/zinc/12/83/42/1271128342.db2.gz YCIGCOAGORPSLQ-HNNXBMFYSA-N 2 1 374.493 0.967 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574261253 1271134669 /nfs/dbraw/zinc/13/46/69/1271134669.db2.gz HEGTYVUWWGRASB-HNNXBMFYSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574288017 1271162572 /nfs/dbraw/zinc/16/25/72/1271162572.db2.gz DDLAVEUZZXVULT-XEZPLFJOSA-N 2 1 370.461 0.616 20 0 FCADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597788 1271401106 /nfs/dbraw/zinc/40/11/06/1271401106.db2.gz QHVSTOPSVSAGNB-BBRMVZONSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574597790 1271401167 /nfs/dbraw/zinc/40/11/67/1271401167.db2.gz QHVSTOPSVSAGNB-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574599197 1271401823 /nfs/dbraw/zinc/40/18/23/1271401823.db2.gz ZTTVQITUMLLSOR-CJNGLKHVSA-N 2 1 357.462 0.945 20 0 FCADMP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+](C)C ZINC001574778125 1271508587 /nfs/dbraw/zinc/50/85/87/1271508587.db2.gz CDAJVBIFERDTRX-GFCCVEGCSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+](C)C ZINC001574778125 1271508598 /nfs/dbraw/zinc/50/85/98/1271508598.db2.gz CDAJVBIFERDTRX-GFCCVEGCSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574777025 1271508811 /nfs/dbraw/zinc/50/88/11/1271508811.db2.gz VVBPSSRTXVORJI-LBPRGKRZSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC[NH+](C)C ZINC001574781073 1271513368 /nfs/dbraw/zinc/51/33/68/1271513368.db2.gz HAAAKDJXRHUHEX-GFCCVEGCSA-N 2 1 363.441 0.894 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574785909 1271520428 /nfs/dbraw/zinc/52/04/28/1271520428.db2.gz PCYIMFHLBICIBF-CQSZACIVSA-N 2 1 357.462 0.899 20 0 FCADMP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574803220 1271540009 /nfs/dbraw/zinc/54/00/09/1271540009.db2.gz BLKWKHPGPJLYNJ-OLZOCXBDSA-N 2 1 358.450 0.544 20 0 FCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574876235 1271634619 /nfs/dbraw/zinc/63/46/19/1271634619.db2.gz KXZPVXQRKARXAD-RISCZKNCSA-N 2 1 361.425 0.552 20 0 FCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574877297 1271636839 /nfs/dbraw/zinc/63/68/39/1271636839.db2.gz QUKRLZYZGHUSRO-AAEUAGOBSA-N 2 1 361.425 0.552 20 0 FCADMP CC(C)(C(=O)N1CCC[C@@](CO)([NH2+]CCc2c[nH]nn2)C1)[NH+]1CCCC1 ZINC001575237497 1271847305 /nfs/dbraw/zinc/84/73/05/1271847305.db2.gz NXFDJDPZNFIWQW-GOSISDBHSA-N 2 1 364.494 0.165 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]21)[NH+]1CCCC1 ZINC001575327377 1271937113 /nfs/dbraw/zinc/93/71/13/1271937113.db2.gz FSXWKIZHQQWXCH-FJIDUMEYSA-N 2 1 360.506 0.762 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]21)[NH+]1CCCC1 ZINC001575327377 1271937122 /nfs/dbraw/zinc/93/71/22/1271937122.db2.gz FSXWKIZHQQWXCH-FJIDUMEYSA-N 2 1 360.506 0.762 20 0 FCADMP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]21)[NH+]1CCCC1 ZINC001575327377 1271937128 /nfs/dbraw/zinc/93/71/28/1271937128.db2.gz FSXWKIZHQQWXCH-FJIDUMEYSA-N 2 1 360.506 0.762 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2c[nH]nn2)C1 ZINC001575419480 1272074924 /nfs/dbraw/zinc/07/49/24/1272074924.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCc2c[nH]nn2)C1 ZINC001575419480 1272074932 /nfs/dbraw/zinc/07/49/32/1272074932.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575419480 1272074942 /nfs/dbraw/zinc/07/49/42/1272074942.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419480 1272074949 /nfs/dbraw/zinc/07/49/49/1272074949.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCc2cn[nH]n2)C1 ZINC001575419480 1272074961 /nfs/dbraw/zinc/07/49/61/1272074961.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001575419480 1272074971 /nfs/dbraw/zinc/07/49/71/1272074971.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575419480 1272074980 /nfs/dbraw/zinc/07/49/80/1272074980.db2.gz APVTYEFIUFJRPP-AEFFLSMTSA-N 2 1 364.494 0.163 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001575420460 1272079416 /nfs/dbraw/zinc/07/94/16/1272079416.db2.gz LBTJODRFFVRTQC-SJORKVTESA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420460 1272079428 /nfs/dbraw/zinc/07/94/28/1272079428.db2.gz LBTJODRFFVRTQC-SJORKVTESA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCc2c[nH]nn2)C1 ZINC001575420460 1272079438 /nfs/dbraw/zinc/07/94/38/1272079438.db2.gz LBTJODRFFVRTQC-SJORKVTESA-N 2 1 364.494 0.427 20 0 FCADMP CC(C)Cc1nnc(N2CCC(C[NH3+])CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001575665689 1272278335 /nfs/dbraw/zinc/27/83/35/1272278335.db2.gz WKWINLOAYCCVSK-SFHVURJKSA-N 2 1 350.511 0.718 20 0 FCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(=O)[nH]c1=O ZINC001575674104 1272285412 /nfs/dbraw/zinc/28/54/12/1272285412.db2.gz QEZPJIZQXBHNOJ-NSHDSACASA-N 2 1 351.451 0.429 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH3+])CC1 ZINC001575998934 1272677496 /nfs/dbraw/zinc/67/74/96/1272677496.db2.gz SGMOGAWYOREKBC-HUUCEWRRSA-N 2 1 363.510 0.745 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(C[NH2+]Cc2cnn[nH]2)CCOCC1 ZINC001576070058 1272830180 /nfs/dbraw/zinc/83/01/80/1272830180.db2.gz BUWGXCDACCJDPJ-OKILXGFUSA-N 2 1 350.467 0.433 20 0 FCADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576132751 1272932063 /nfs/dbraw/zinc/93/20/63/1272932063.db2.gz UNTRVQXBNBINSA-QWHCGFSZSA-N 2 1 358.450 0.687 20 0 FCADMP CC[C@@H](C(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001576176522 1272976323 /nfs/dbraw/zinc/97/63/23/1272976323.db2.gz VZKIOXNHILNZPC-INIZCTEOSA-N 2 1 352.483 0.584 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[N@@H+](C)CCN1C ZINC001576207665 1272990507 /nfs/dbraw/zinc/99/05/07/1272990507.db2.gz QBVDLHLNULUBQQ-XHSDSOJGSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC001576207665 1272990516 /nfs/dbraw/zinc/99/05/16/1272990516.db2.gz QBVDLHLNULUBQQ-XHSDSOJGSA-N 2 1 353.511 0.079 20 0 FCADMP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CN(C)CC[N@H+]1C ZINC001576207665 1272990523 /nfs/dbraw/zinc/99/05/23/1272990523.db2.gz QBVDLHLNULUBQQ-XHSDSOJGSA-N 2 1 353.511 0.079 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001576254786 1273037641 /nfs/dbraw/zinc/03/76/41/1273037641.db2.gz FTIOUOCLDWLPGF-UKRRQHHQSA-N 2 1 372.477 0.673 20 0 FCADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]CC(=O)N1CCN(c2cnccn2)CC1 ZINC001576382826 1273213903 /nfs/dbraw/zinc/21/39/03/1273213903.db2.gz DZIHGPZHFWXHDS-QGTPRVQTSA-N 2 1 358.490 0.491 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485429 1273331541 /nfs/dbraw/zinc/33/15/41/1273331541.db2.gz LTDOOSQQYJMWCD-GDBMZVCRSA-N 2 1 350.467 0.244 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576485429 1273331548 /nfs/dbraw/zinc/33/15/48/1273331548.db2.gz LTDOOSQQYJMWCD-GDBMZVCRSA-N 2 1 350.467 0.244 20 0 FCADMP C[C@@H]1CN(C(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)CC[N@H+]1CC(C)(C)O ZINC001576760016 1273632444 /nfs/dbraw/zinc/63/24/44/1273632444.db2.gz IBXNVUGNWKOXRR-DNVCBOLYSA-N 2 1 353.507 0.575 20 0 FCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001576801258 1273706453 /nfs/dbraw/zinc/70/64/53/1273706453.db2.gz PWPHBSVQNRYHSZ-ZDUSSCGKSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001576801258 1273706461 /nfs/dbraw/zinc/70/64/61/1273706461.db2.gz PWPHBSVQNRYHSZ-ZDUSSCGKSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576806596 1273715931 /nfs/dbraw/zinc/71/59/31/1273715931.db2.gz NWSQQGSRNCQNQZ-UONOGXRCSA-N 2 1 372.477 0.865 20 0 FCADMP C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001576822749 1273743454 /nfs/dbraw/zinc/74/34/54/1273743454.db2.gz AIOLGBHJRNMMBC-SQWLQELKSA-N 2 1 374.493 0.183 20 0 FCADMP C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001576828489 1273753127 /nfs/dbraw/zinc/75/31/27/1273753127.db2.gz HFMUBVMVRPYHOR-UXOAXIEHSA-N 2 1 361.494 0.495 20 0 FCADMP C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001576828486 1273753633 /nfs/dbraw/zinc/75/36/33/1273753633.db2.gz HFMUBVMVRPYHOR-DHMWGJHJSA-N 2 1 361.494 0.495 20 0 FCADMP C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC001576828487 1273753912 /nfs/dbraw/zinc/75/39/12/1273753912.db2.gz HFMUBVMVRPYHOR-GBOPCIDUSA-N 2 1 361.494 0.495 20 0 FCADMP C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1[NH3+] ZINC001576830284 1273754485 /nfs/dbraw/zinc/75/44/85/1273754485.db2.gz FOEVUGCTVPMMGU-LLDVTBCESA-N 2 1 364.494 0.370 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCc1c[nH]nn1 ZINC001576833762 1273759702 /nfs/dbraw/zinc/75/97/02/1273759702.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCc1c[nH]nn1 ZINC001576833762 1273759708 /nfs/dbraw/zinc/75/97/08/1273759708.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCc1c[nH]nn1 ZINC001576833762 1273759713 /nfs/dbraw/zinc/75/97/13/1273759713.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP C[N@H+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCc1cn[nH]n1 ZINC001576833762 1273759717 /nfs/dbraw/zinc/75/97/17/1273759717.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP C[N@@H+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCc1cn[nH]n1 ZINC001576833762 1273759721 /nfs/dbraw/zinc/75/97/21/1273759721.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCc1cn[nH]n1 ZINC001576833762 1273759724 /nfs/dbraw/zinc/75/97/24/1273759724.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP C[NH+](CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCc1cn[nH]n1 ZINC001576833762 1273759727 /nfs/dbraw/zinc/75/97/27/1273759727.db2.gz JJFHFTTUZHCFGD-DLBZAZTESA-N 2 1 364.494 0.429 20 0 FCADMP CN(CCOCC[NH2+]Cc1cnn[nH]1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001576839705 1273776090 /nfs/dbraw/zinc/77/60/90/1273776090.db2.gz UBLILBYDOLZBKD-HZPDHXFCSA-N 2 1 350.467 0.386 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(=O)N2CCCC2)n1CCC[NH3+] ZINC001576849505 1273799894 /nfs/dbraw/zinc/79/98/94/1273799894.db2.gz GJOUMQPMLHRKJB-LSDHHAIUSA-N 2 1 361.494 0.536 20 0 FCADMP C[C@H]1COCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CCC([NH3+])CC1 ZINC001576860347 1273820704 /nfs/dbraw/zinc/82/07/04/1273820704.db2.gz IKLIBXLEEONJBJ-AWEZNQCLSA-N 2 1 372.477 0.383 20 0 FCADMP C[C@H]1COCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC([NH3+])CC1 ZINC001576860347 1273820707 /nfs/dbraw/zinc/82/07/07/1273820707.db2.gz IKLIBXLEEONJBJ-AWEZNQCLSA-N 2 1 372.477 0.383 20 0 FCADMP CC[C@@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001576967578 1273991899 /nfs/dbraw/zinc/99/18/99/1273991899.db2.gz SSZYWRWGHUNKGV-RVKKMQEKSA-N 2 1 364.494 0.384 20 0 FCADMP CC[C@@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001576967578 1273991901 /nfs/dbraw/zinc/99/19/01/1273991901.db2.gz SSZYWRWGHUNKGV-RVKKMQEKSA-N 2 1 364.494 0.384 20 0 FCADMP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001577476661 1274433046 /nfs/dbraw/zinc/43/30/46/1274433046.db2.gz AKURROYGMXHVDZ-KGLIPLIRSA-N 2 1 372.477 0.722 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC3(C2)CCC[NH2+]C3)CC1 ZINC001577542130 1274482093 /nfs/dbraw/zinc/48/20/93/1274482093.db2.gz NAYPRAAQDOEOHF-UHFFFAOYSA-N 2 1 351.495 0.372 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577550556 1274488769 /nfs/dbraw/zinc/48/87/69/1274488769.db2.gz KZJMBZOTDOJWFE-UHFFFAOYSA-N 2 1 374.493 0.922 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577554513 1274496922 /nfs/dbraw/zinc/49/69/22/1274496922.db2.gz SPYYVIAZAWDSMA-ZIAGYGMSSA-N 2 1 372.477 0.817 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577558476 1274501852 /nfs/dbraw/zinc/50/18/52/1274501852.db2.gz JSUIIAXHOBAJCG-MRXNPFEDSA-N 2 1 372.477 0.641 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560208 1274505589 /nfs/dbraw/zinc/50/55/89/1274505589.db2.gz BIIBTXWWQFAGPR-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560208 1274505593 /nfs/dbraw/zinc/50/55/93/1274505593.db2.gz BIIBTXWWQFAGPR-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577560208 1274505595 /nfs/dbraw/zinc/50/55/95/1274505595.db2.gz BIIBTXWWQFAGPR-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577560378 1274507935 /nfs/dbraw/zinc/50/79/35/1274507935.db2.gz CZQVOMFLPASVKA-ZDUSSCGKSA-N 2 1 360.466 0.853 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577564962 1274520132 /nfs/dbraw/zinc/52/01/32/1274520132.db2.gz FJFVRJCBYNKCBP-WKILWMFISA-N 2 1 357.462 0.945 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577570648 1274531180 /nfs/dbraw/zinc/53/11/80/1274531180.db2.gz BXBALXKOMTZDJD-QWHCGFSZSA-N 2 1 360.466 0.721 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577664835 1274679817 /nfs/dbraw/zinc/67/98/17/1274679817.db2.gz JTLHZJWTMZSEQT-CYBMUJFWSA-N 2 1 358.450 0.334 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667434 1274687446 /nfs/dbraw/zinc/68/74/46/1274687446.db2.gz CZHJADFJUPKPJN-OAHLLOKOSA-N 2 1 358.450 0.428 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001577674640 1274710146 /nfs/dbraw/zinc/71/01/46/1274710146.db2.gz BYIGLSUWCLVNSG-WKILWMFISA-N 2 1 353.511 0.842 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001577674640 1274710151 /nfs/dbraw/zinc/71/01/51/1274710151.db2.gz BYIGLSUWCLVNSG-WKILWMFISA-N 2 1 353.511 0.842 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1c[nH]nn1)C2 ZINC001577755606 1274835993 /nfs/dbraw/zinc/83/59/93/1274835993.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1c[nH]nn1)C2 ZINC001577755606 1274836000 /nfs/dbraw/zinc/83/60/00/1274836000.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1c[nH]nn1)C2 ZINC001577755606 1274836007 /nfs/dbraw/zinc/83/60/07/1274836007.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755606 1274836009 /nfs/dbraw/zinc/83/60/09/1274836009.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC2(C1)CC[NH+](CCc1cn[nH]n1)C2 ZINC001577755606 1274836015 /nfs/dbraw/zinc/83/60/15/1274836015.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@H+](CCc1cn[nH]n1)C2 ZINC001577755606 1274836021 /nfs/dbraw/zinc/83/60/21/1274836021.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1CCC[C@H]2CCC[NH+]21)N1CC2(C1)CC[N@@H+](CCc1cn[nH]n1)C2 ZINC001577755606 1274836028 /nfs/dbraw/zinc/83/60/28/1274836028.db2.gz YEXQENLKFKAPKU-DLBZAZTESA-N 2 1 358.490 0.898 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC2(C[NH+](CCc3cn[nH]n3)C2)CC1 ZINC001577758387 1274840272 /nfs/dbraw/zinc/84/02/72/1274840272.db2.gz LSVZNGOZIMXKMV-KRWDZBQOSA-N 2 1 358.490 0.613 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577770668 1274856047 /nfs/dbraw/zinc/85/60/47/1274856047.db2.gz MYAFKHOOOKOVGT-IYOUNJFTSA-N 2 1 361.494 0.438 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001577778232 1274872297 /nfs/dbraw/zinc/87/22/97/1274872297.db2.gz NNTINYUTAATRNH-HOTGVXAUSA-N 2 1 355.527 0.816 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH3+])C[C@H]1C ZINC001577782025 1274875824 /nfs/dbraw/zinc/87/58/24/1274875824.db2.gz SXZLDUCYVKKOKY-CRAIPNDOSA-N 2 1 366.510 0.808 20 0 FCADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]([NH3+])C(C)C)C[C@H]1C ZINC001577780893 1274877129 /nfs/dbraw/zinc/87/71/29/1274877129.db2.gz FYNMMCSVFAQSRF-ILXRZTDVSA-N 2 1 363.510 0.743 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001577833961 1274947842 /nfs/dbraw/zinc/94/78/42/1274947842.db2.gz AQHJTCLVSRZLEZ-MRXNPFEDSA-N 2 1 353.511 0.605 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852152 1274994317 /nfs/dbraw/zinc/99/43/17/1274994317.db2.gz KVQOSCCOBOERRU-CQSZACIVSA-N 2 1 372.477 0.594 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577852097 1274994622 /nfs/dbraw/zinc/99/46/22/1274994622.db2.gz JSRIZGHUCWXKHS-UHFFFAOYSA-N 2 1 372.477 0.676 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577852564 1274996663 /nfs/dbraw/zinc/99/66/63/1274996663.db2.gz USERMDIVQCNWLD-BLLLJJGKSA-N 2 1 372.477 0.593 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001577855772 1275007469 /nfs/dbraw/zinc/00/74/69/1275007469.db2.gz PMTMJLJPNYGFOW-OCCSQVGLSA-N 2 1 358.450 0.427 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577859746 1275020166 /nfs/dbraw/zinc/02/01/66/1275020166.db2.gz NUDFCJFGOBVBMW-UHFFFAOYSA-N 2 1 372.477 0.866 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577860702 1275025942 /nfs/dbraw/zinc/02/59/42/1275025942.db2.gz ZLPFEMFHYYXSOR-INIZCTEOSA-N 2 1 372.477 0.641 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577871404 1275060264 /nfs/dbraw/zinc/06/02/64/1275060264.db2.gz GGHYMSXNURDVGC-HDJSIYSDSA-N 2 1 372.477 0.641 20 0 FCADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCOCC3)c1 ZINC001577881075 1275079512 /nfs/dbraw/zinc/07/95/12/1275079512.db2.gz IIAYKHYYAGXKPQ-CVEARBPZSA-N 2 1 353.488 0.971 20 0 FCADMP O=C(N[C@@H](C[NH2+]CCc1c[nH]nn1)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001577974527 1275199255 /nfs/dbraw/zinc/19/92/55/1275199255.db2.gz IJFGXZAEAICAHN-MSOLQXFVSA-N 2 1 360.506 0.954 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002399 1275259301 /nfs/dbraw/zinc/25/93/01/1275259301.db2.gz WOADLVHQWWAIDA-INIZCTEOSA-N 2 1 362.478 0.183 20 0 FCADMP O=C(NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002399 1275259305 /nfs/dbraw/zinc/25/93/05/1275259305.db2.gz WOADLVHQWWAIDA-INIZCTEOSA-N 2 1 362.478 0.183 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002399 1275259314 /nfs/dbraw/zinc/25/93/14/1275259314.db2.gz WOADLVHQWWAIDA-INIZCTEOSA-N 2 1 362.478 0.183 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578046010 1275333143 /nfs/dbraw/zinc/33/31/43/1275333143.db2.gz VHZPNSMEIRFHNM-ZIAGYGMSSA-N 2 1 372.477 0.853 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2C[NH2+]C2)CC1 ZINC001578115292 1275416212 /nfs/dbraw/zinc/41/62/12/1275416212.db2.gz DZZKZDRDYDSKKQ-MRXNPFEDSA-N 2 1 364.494 0.160 20 0 FCADMP CCOCc1nnc(N2CC[C@H](C[NH3+])C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578132779 1275430964 /nfs/dbraw/zinc/43/09/64/1275430964.db2.gz VKUOWJSEWLTIKZ-OAHLLOKOSA-N 2 1 366.510 0.710 20 0 FCADMP CCOCc1nnc(N2CC[C@H](C[NH3+])C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578132779 1275430968 /nfs/dbraw/zinc/43/09/68/1275430968.db2.gz VKUOWJSEWLTIKZ-OAHLLOKOSA-N 2 1 366.510 0.710 20 0 FCADMP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001578136179 1275435187 /nfs/dbraw/zinc/43/51/87/1275435187.db2.gz NQTBBWUDAJLAKO-CHWSQXEVSA-N 2 1 358.450 0.284 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001578142112 1275441866 /nfs/dbraw/zinc/44/18/66/1275441866.db2.gz LHEGPLNGYWSFRT-OAHLLOKOSA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[NH2+][C@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001578142112 1275441868 /nfs/dbraw/zinc/44/18/68/1275441868.db2.gz LHEGPLNGYWSFRT-OAHLLOKOSA-N 2 1 366.510 0.724 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001578144730 1275444383 /nfs/dbraw/zinc/44/43/83/1275444383.db2.gz NZGLRCHEYSWWBH-JKSUJKDBSA-N 2 1 366.510 0.709 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220014 1275515610 /nfs/dbraw/zinc/51/56/10/1275515610.db2.gz VANULQQQXPNNRB-BBRMVZONSA-N 2 1 370.461 0.571 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001578444512 1275834279 /nfs/dbraw/zinc/83/42/79/1275834279.db2.gz SYONWEKKFYIRBW-XJKSGUPXSA-N 2 1 372.477 0.593 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001578448398 1275845526 /nfs/dbraw/zinc/84/55/26/1275845526.db2.gz AUIXRVPJSHRLRF-VNHYZAJKSA-N 2 1 370.461 0.687 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001578448398 1275845538 /nfs/dbraw/zinc/84/55/38/1275845538.db2.gz AUIXRVPJSHRLRF-VNHYZAJKSA-N 2 1 370.461 0.687 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCC[NH2+]C3)nnc2N2CCCOCC2)C1 ZINC001578525900 1275957328 /nfs/dbraw/zinc/95/73/28/1275957328.db2.gz TWPKSAUGXIUNDW-CRAIPNDOSA-N 2 1 364.494 0.038 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001578525774 1275957629 /nfs/dbraw/zinc/95/76/29/1275957629.db2.gz PRSDGSGMCDIBJC-KHYOSLBOSA-N 2 1 362.522 0.589 20 0 FCADMP C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C[NH3+])C2)C1 ZINC001578525563 1275957649 /nfs/dbraw/zinc/95/76/49/1275957649.db2.gz HTJIUFNJUNNUEY-APWZRJJASA-N 2 1 372.473 0.176 20 0 FCADMP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578524250 1275958019 /nfs/dbraw/zinc/95/80/19/1275958019.db2.gz CANAKPXTURPFKE-KZNAEPCWSA-N 2 1 352.523 0.770 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH2+]CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578522726 1275958318 /nfs/dbraw/zinc/95/83/18/1275958318.db2.gz APLZMCLSQWWHPE-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH2+]CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578522726 1275958323 /nfs/dbraw/zinc/95/83/23/1275958323.db2.gz APLZMCLSQWWHPE-HNNXBMFYSA-N 2 1 354.495 0.997 20 0 FCADMP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@]3(C)C[NH2+]CCO3)s2)CC1 ZINC001578536447 1275964766 /nfs/dbraw/zinc/96/47/66/1275964766.db2.gz TWXYKYDDAZEEAW-KRWDZBQOSA-N 2 1 352.504 0.604 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CCC3(C[NH2+]C3)O2)c2ccccc2)CC1 ZINC001578533562 1275965504 /nfs/dbraw/zinc/96/55/04/1275965504.db2.gz NFHWXXWURHHIIY-ROUUACIJSA-N 2 1 358.486 0.612 20 0 FCADMP C[NH2+][C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001578576011 1276008290 /nfs/dbraw/zinc/00/82/90/1276008290.db2.gz MTUJHUCTWOTAMQ-IJEWVQPXSA-N 2 1 358.494 0.959 20 0 FCADMP C[NH2+]CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001578720106 1276194294 /nfs/dbraw/zinc/19/42/94/1276194294.db2.gz BKERDHSWPXIQDY-HNNXBMFYSA-N 2 1 357.462 0.389 20 0 FCADMP C[NH2+]CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001578720106 1276194296 /nfs/dbraw/zinc/19/42/96/1276194296.db2.gz BKERDHSWPXIQDY-HNNXBMFYSA-N 2 1 357.462 0.389 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001578726577 1276201531 /nfs/dbraw/zinc/20/15/31/1276201531.db2.gz FQNJXMZHSDYQJE-HUUCEWRRSA-N 2 1 350.467 0.260 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001578726577 1276201533 /nfs/dbraw/zinc/20/15/33/1276201533.db2.gz FQNJXMZHSDYQJE-HUUCEWRRSA-N 2 1 350.467 0.260 20 0 FCADMP C[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578731578 1276206657 /nfs/dbraw/zinc/20/66/57/1276206657.db2.gz PCDLNAXKVUBKDM-UHFFFAOYSA-N 2 1 359.478 0.252 20 0 FCADMP C[NH2+]CCn1c([C@H]2CCCO2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001578730990 1276207414 /nfs/dbraw/zinc/20/74/14/1276207414.db2.gz GIPZRZNPPKFDGN-HRCADAONSA-N 2 1 364.494 0.506 20 0 FCADMP COC(=O)[C@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC12C[NH2+]C2 ZINC001578797945 1276287141 /nfs/dbraw/zinc/28/71/41/1276287141.db2.gz VJRAGCXAWPKWJA-OAHLLOKOSA-N 2 1 351.491 0.966 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001578841182 1276359989 /nfs/dbraw/zinc/35/99/89/1276359989.db2.gz XRQDPXNALMWXEC-OBQMCUGOSA-N 2 1 355.454 0.938 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C2 ZINC001578843468 1276363563 /nfs/dbraw/zinc/36/35/63/1276363563.db2.gz VGZMPECTWZRDAD-QHHYFVSCSA-N 2 1 364.490 0.925 20 0 FCADMP COC(=O)c1csc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578884932 1276415726 /nfs/dbraw/zinc/41/57/26/1276415726.db2.gz GONVXYMOXVUXGE-BNOWGMLFSA-N 2 1 351.428 0.902 20 0 FCADMP COC(=O)c1csc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC001578884932 1276415730 /nfs/dbraw/zinc/41/57/30/1276415730.db2.gz GONVXYMOXVUXGE-BNOWGMLFSA-N 2 1 351.428 0.902 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578977993 1276533763 /nfs/dbraw/zinc/53/37/63/1276533763.db2.gz ZHWFYUYYGCZQIO-HZPDHXFCSA-N 2 1 370.461 0.783 20 0 FCADMP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001578981219 1276542484 /nfs/dbraw/zinc/54/24/84/1276542484.db2.gz UPTNBNXBXKEAJL-UHFFFAOYSA-N 2 1 361.425 0.506 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001578990500 1276563479 /nfs/dbraw/zinc/56/34/79/1276563479.db2.gz DBQYGPVRNRBNMZ-VQFNDLOPSA-N 2 1 369.473 0.755 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001579014920 1276590130 /nfs/dbraw/zinc/59/01/30/1276590130.db2.gz ULBIZNRIUYOKDQ-BZUAXINKSA-N 2 1 366.510 0.534 20 0 FCADMP COCC[N@@H+](C)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOC[C@H]1C ZINC001579020443 1276598932 /nfs/dbraw/zinc/59/89/32/1276598932.db2.gz CFHMHGMCFBZJFP-CVEARBPZSA-N 2 1 366.510 0.548 20 0 FCADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn(C3C[NH2+]C3)nn2)cc1 ZINC001579212716 1277007944 /nfs/dbraw/zinc/00/79/44/1277007944.db2.gz KDZHIOODWYVBJY-AWEZNQCLSA-N 2 1 356.430 0.435 20 0 FCADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn(C3C[NH2+]C3)nn2)cc1 ZINC001579212716 1277007949 /nfs/dbraw/zinc/00/79/49/1277007949.db2.gz KDZHIOODWYVBJY-AWEZNQCLSA-N 2 1 356.430 0.435 20 0 FCADMP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001579260464 1277055294 /nfs/dbraw/zinc/05/52/94/1277055294.db2.gz FIQBILYYRKTENO-HNNXBMFYSA-N 2 1 366.429 0.865 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326154 1277149927 /nfs/dbraw/zinc/14/99/27/1277149927.db2.gz MKOZKXGZXDJCQD-ACJLOTCBSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579326822 1277153009 /nfs/dbraw/zinc/15/30/09/1277153009.db2.gz MUYAKKOZHLDLQR-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579327744 1277154103 /nfs/dbraw/zinc/15/41/03/1277154103.db2.gz XAZKLGMPKVEPRA-OLZOCXBDSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCC2)C1 ZINC001579331874 1277162537 /nfs/dbraw/zinc/16/25/37/1277162537.db2.gz IDUZAIKLJYQZOM-MRXNPFEDSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332888 1277165681 /nfs/dbraw/zinc/16/56/81/1277165681.db2.gz MHUWIEOKDYMLJH-VQIMIIECSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332888 1277165683 /nfs/dbraw/zinc/16/56/83/1277165683.db2.gz MHUWIEOKDYMLJH-VQIMIIECSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579332888 1277165685 /nfs/dbraw/zinc/16/56/85/1277165685.db2.gz MHUWIEOKDYMLJH-VQIMIIECSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333364 1277167690 /nfs/dbraw/zinc/16/76/90/1277167690.db2.gz QEHDLNDTLBMGSE-WBVHZDCISA-N 2 1 369.473 0.803 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334494 1277170658 /nfs/dbraw/zinc/17/06/58/1277170658.db2.gz YAVUZGCPIBGKCE-STQMWFEESA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579334494 1277170659 /nfs/dbraw/zinc/17/06/59/1277170659.db2.gz YAVUZGCPIBGKCE-STQMWFEESA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335056 1277173852 /nfs/dbraw/zinc/17/38/52/1277173852.db2.gz MTURHJRGKHSZGR-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335056 1277173855 /nfs/dbraw/zinc/17/38/55/1277173855.db2.gz MTURHJRGKHSZGR-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335056 1277173859 /nfs/dbraw/zinc/17/38/59/1277173859.db2.gz MTURHJRGKHSZGR-GJZGRUSLSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335802 1277178060 /nfs/dbraw/zinc/17/80/60/1277178060.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335802 1277178062 /nfs/dbraw/zinc/17/80/62/1277178062.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579335802 1277178064 /nfs/dbraw/zinc/17/80/64/1277178064.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335975 1277179536 /nfs/dbraw/zinc/17/95/36/1277179536.db2.gz XNPKCXWZGBNFTM-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335975 1277179537 /nfs/dbraw/zinc/17/95/37/1277179537.db2.gz XNPKCXWZGBNFTM-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579335975 1277179539 /nfs/dbraw/zinc/17/95/39/1277179539.db2.gz XNPKCXWZGBNFTM-CVEARBPZSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579336186 1277179626 /nfs/dbraw/zinc/17/96/26/1277179626.db2.gz ZTUYEPJTUUGPDN-ZDUSSCGKSA-N 2 1 370.461 0.334 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338381 1277180826 /nfs/dbraw/zinc/18/08/26/1277180826.db2.gz LXCCPSQBBWIVRQ-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338381 1277180829 /nfs/dbraw/zinc/18/08/29/1277180829.db2.gz LXCCPSQBBWIVRQ-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579338381 1277180834 /nfs/dbraw/zinc/18/08/34/1277180834.db2.gz LXCCPSQBBWIVRQ-HOTGVXAUSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579347294 1277201393 /nfs/dbraw/zinc/20/13/93/1277201393.db2.gz AHODPUPLNZKFFU-FVQBIDKESA-N 2 1 369.473 0.945 20 0 FCADMP CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001579348131 1277203970 /nfs/dbraw/zinc/20/39/70/1277203970.db2.gz WRPPXJQDUQNHIF-AWEZNQCLSA-N 2 1 351.472 0.937 20 0 FCADMP CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001579348131 1277203974 /nfs/dbraw/zinc/20/39/74/1277203974.db2.gz WRPPXJQDUQNHIF-AWEZNQCLSA-N 2 1 351.472 0.937 20 0 FCADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353365 1277211165 /nfs/dbraw/zinc/21/11/65/1277211165.db2.gz JYUSAIXKSPTXBK-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353365 1277211166 /nfs/dbraw/zinc/21/11/66/1277211166.db2.gz JYUSAIXKSPTXBK-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579353365 1277211167 /nfs/dbraw/zinc/21/11/67/1277211167.db2.gz JYUSAIXKSPTXBK-IRXDYDNUSA-N 2 1 369.473 0.994 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353921 1277217214 /nfs/dbraw/zinc/21/72/14/1277217214.db2.gz WPVSXBBRQPVEDZ-HNNXBMFYSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001579358881 1277229452 /nfs/dbraw/zinc/22/94/52/1277229452.db2.gz LCMSOJYWQIQGFM-SJORKVTESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359141 1277232059 /nfs/dbraw/zinc/23/20/59/1277232059.db2.gz OWOZQQBMZFBPIL-RXYHWBRQSA-N 2 1 373.436 0.862 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359584 1277233504 /nfs/dbraw/zinc/23/35/04/1277233504.db2.gz XXRDTLXPRRGNJT-PREGVCBESA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359787 1277233741 /nfs/dbraw/zinc/23/37/41/1277233741.db2.gz DFRMBKQVQFJKEL-OWCLPIDISA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579370114 1277253052 /nfs/dbraw/zinc/25/30/52/1277253052.db2.gz TUSGPEHPTLGVQX-IUODEOHRSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380895 1277257965 /nfs/dbraw/zinc/25/79/65/1277257965.db2.gz BAAVPNCKILEYOC-MBNYWOFBSA-N 2 1 373.486 0.917 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380895 1277257974 /nfs/dbraw/zinc/25/79/74/1277257974.db2.gz BAAVPNCKILEYOC-MBNYWOFBSA-N 2 1 373.486 0.917 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C[C@@H]2C1 ZINC001579380895 1277257986 /nfs/dbraw/zinc/25/79/86/1277257986.db2.gz BAAVPNCKILEYOC-MBNYWOFBSA-N 2 1 373.486 0.917 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001579381304 1277259103 /nfs/dbraw/zinc/25/91/03/1277259103.db2.gz STCADPMZHHPIST-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001579381304 1277259107 /nfs/dbraw/zinc/25/91/07/1277259107.db2.gz STCADPMZHHPIST-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001579381304 1277259118 /nfs/dbraw/zinc/25/91/18/1277259118.db2.gz STCADPMZHHPIST-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001579381304 1277259130 /nfs/dbraw/zinc/25/91/30/1277259130.db2.gz STCADPMZHHPIST-CVEARBPZSA-N 2 1 355.446 0.366 20 0 FCADMP C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCOCC2)CC[NH2+]1 ZINC001579444457 1277330804 /nfs/dbraw/zinc/33/08/04/1277330804.db2.gz NEAASMYMVZPUPB-MRXNPFEDSA-N 2 1 373.505 0.804 20 0 FCADMP Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@@H](C)[NH3+])n1 ZINC001579585594 1277613472 /nfs/dbraw/zinc/61/34/72/1277613472.db2.gz KPKYDSQDIASVJL-CJNGLKHVSA-N 2 1 374.493 0.008 20 0 FCADMP Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@@H](C)[NH3+])n1 ZINC001579585594 1277613482 /nfs/dbraw/zinc/61/34/82/1277613482.db2.gz KPKYDSQDIASVJL-CJNGLKHVSA-N 2 1 374.493 0.008 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@@H](C(=O)N3CC[NH2+]CC3)C1)C2 ZINC001579877382 1277947921 /nfs/dbraw/zinc/94/79/21/1277947921.db2.gz LLQJBXYJTJHGEL-HZPDHXFCSA-N 2 1 359.474 0.424 20 0 FCADMP Cc1[nH+]ccn1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1 ZINC001579883765 1277949171 /nfs/dbraw/zinc/94/91/71/1277949171.db2.gz ZDVBVECKJPJENX-OAHLLOKOSA-N 2 1 372.477 0.752 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001579941466 1277971854 /nfs/dbraw/zinc/97/18/54/1277971854.db2.gz KJIQXTATACMKQL-HNNXBMFYSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001579941466 1277971861 /nfs/dbraw/zinc/97/18/61/1277971861.db2.gz KJIQXTATACMKQL-HNNXBMFYSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001579941466 1277971868 /nfs/dbraw/zinc/97/18/68/1277971868.db2.gz KJIQXTATACMKQL-HNNXBMFYSA-N 2 1 373.461 0.518 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001579941466 1277971876 /nfs/dbraw/zinc/97/18/76/1277971876.db2.gz KJIQXTATACMKQL-HNNXBMFYSA-N 2 1 373.461 0.518 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC001580018204 1277992101 /nfs/dbraw/zinc/99/21/01/1277992101.db2.gz DBXRGIFKIUOMEK-YJNKXOJESA-N 2 1 351.413 0.996 20 0 FCADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001580271037 1278064136 /nfs/dbraw/zinc/06/41/36/1278064136.db2.gz ZRAKYOIHFBWNEM-NHYWBVRUSA-N 2 1 361.425 0.694 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001580280219 1278078949 /nfs/dbraw/zinc/07/89/49/1278078949.db2.gz AKLPXEXSCNVXHZ-OAGGEKHMSA-N 2 1 351.495 0.642 20 0 FCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001580280220 1278080897 /nfs/dbraw/zinc/08/08/97/1278080897.db2.gz AKLPXEXSCNVXHZ-PMPSAXMXSA-N 2 1 351.495 0.642 20 0 FCADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001580863974 1279062022 /nfs/dbraw/zinc/06/20/22/1279062022.db2.gz XNOZSDYEYLXFJK-KURKYZTESA-N 2 1 365.499 0.511 20 0 FCADMP Cc1cc(N(C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580940494 1279148047 /nfs/dbraw/zinc/14/80/47/1279148047.db2.gz AGTDFNQNGCTQJL-ZDUSSCGKSA-N 2 1 360.466 0.851 20 0 FCADMP Cc1cc(N(C)CCNC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949367 1279155092 /nfs/dbraw/zinc/15/50/92/1279155092.db2.gz WOTXCKHMWDJYID-UHFFFAOYSA-N 2 1 358.450 0.607 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960382 1279163421 /nfs/dbraw/zinc/16/34/21/1279163421.db2.gz DDDPCMAUOVPBSJ-KBPBESRZSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580961807 1279164825 /nfs/dbraw/zinc/16/48/25/1279164825.db2.gz LGRSJRYKONHJFW-ZDUSSCGKSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580975867 1279175941 /nfs/dbraw/zinc/17/59/41/1279175941.db2.gz NLILCISQWHZKJW-UXIGCNINSA-N 2 1 370.461 0.463 20 0 FCADMP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988316 1279188666 /nfs/dbraw/zinc/18/86/66/1279188666.db2.gz IQPZOFYKGSKOTQ-CHWSQXEVSA-N 2 1 360.466 0.637 20 0 FCADMP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989484 1279190676 /nfs/dbraw/zinc/19/06/76/1279190676.db2.gz NPKQCMZBKWQTMW-STQMWFEESA-N 2 1 372.477 0.781 20 0 FCADMP Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003525 1279220782 /nfs/dbraw/zinc/22/07/82/1279220782.db2.gz DLNZTXOUOSOXJW-CJNGLKHVSA-N 2 1 370.461 0.489 20 0 FCADMP Cc1cc(N[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006308 1279225117 /nfs/dbraw/zinc/22/51/17/1279225117.db2.gz OPVWKVNKIMJKGN-UKRRQHHQSA-N 2 1 372.477 0.734 20 0 FCADMP Cc1cc(NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581025164 1279258248 /nfs/dbraw/zinc/25/82/48/1279258248.db2.gz QASRCQNHMBZDQE-XHDPSFHLSA-N 2 1 358.450 0.393 20 0 FCADMP Cc1cc(NCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027719 1279260987 /nfs/dbraw/zinc/26/09/87/1279260987.db2.gz VWZZQHCZNSFQMX-GXTWGEPZSA-N 2 1 372.477 0.641 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030289 1279266771 /nfs/dbraw/zinc/26/67/71/1279266771.db2.gz SGBJJOQBWGTQLT-OLZOCXBDSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030944 1279270011 /nfs/dbraw/zinc/27/00/11/1279270011.db2.gz VHWFRBLZGHUFEM-RDBSUJKOSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038955 1279276024 /nfs/dbraw/zinc/27/60/24/1279276024.db2.gz GVOYCUJSURLFAU-JOCQHMNTSA-N 2 1 358.450 0.391 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCC(C)CC2)CC[N@@H+]1C ZINC001715521369 1287353990 /nfs/dbraw/zinc/35/39/90/1287353990.db2.gz PZGRHSDQQHZMKE-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)N2CCC(C)CC2)CC[N@H+]1C ZINC001715521369 1287353991 /nfs/dbraw/zinc/35/39/91/1287353991.db2.gz PZGRHSDQQHZMKE-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N2CCC(C)CC2)CC[NH+]1C ZINC001715521369 1287353992 /nfs/dbraw/zinc/35/39/92/1287353992.db2.gz PZGRHSDQQHZMKE-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N2CCC(C)CC2)CC[NH+]1C ZINC001715521369 1287353993 /nfs/dbraw/zinc/35/39/93/1287353993.db2.gz PZGRHSDQQHZMKE-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581340603 1279722068 /nfs/dbraw/zinc/72/20/68/1279722068.db2.gz SFUVJSCYKPCMIQ-LLVKDONJSA-N 2 1 372.408 0.805 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncc(C(C)(C)C)o2)CC[N@@H+]1C ZINC001716087321 1287370230 /nfs/dbraw/zinc/37/02/30/1287370230.db2.gz DMQWQMBADLWAPU-MGPQQGTHSA-N 2 1 352.479 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncc(C(C)(C)C)o2)CC[N@H+]1C ZINC001716087321 1287370231 /nfs/dbraw/zinc/37/02/31/1287370231.db2.gz DMQWQMBADLWAPU-MGPQQGTHSA-N 2 1 352.479 0.879 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2(C[NH+](C)C)CC2)C2CC2)CC[N@H+]1C ZINC001581478688 1280015252 /nfs/dbraw/zinc/01/52/52/1280015252.db2.gz XRRZTUZSIZNPDJ-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001581813765 1280559010 /nfs/dbraw/zinc/55/90/10/1280559010.db2.gz RWALGZWIEHWVAN-IXDOHACOSA-N 2 1 364.534 0.975 20 0 FCADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581949699 1280781874 /nfs/dbraw/zinc/78/18/74/1280781874.db2.gz MKMDUALXDSCONO-HNNXBMFYSA-N 2 1 368.445 0.252 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582046641 1280968533 /nfs/dbraw/zinc/96/85/33/1280968533.db2.gz RSQPPYRKHUEVBV-UHFFFAOYSA-N 2 1 370.461 0.786 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582053306 1280978662 /nfs/dbraw/zinc/97/86/62/1280978662.db2.gz DJEXGDRAXPLQHJ-AWEZNQCLSA-N 2 1 370.461 0.833 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582099055 1281055118 /nfs/dbraw/zinc/05/51/18/1281055118.db2.gz HVLZTMASYJVNMI-INIZCTEOSA-N 2 1 355.446 0.653 20 0 FCADMP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582471869 1281595892 /nfs/dbraw/zinc/59/58/92/1281595892.db2.gz DXNJKHSUWYJPHY-HNNXBMFYSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001582471869 1281595897 /nfs/dbraw/zinc/59/58/97/1281595897.db2.gz DXNJKHSUWYJPHY-HNNXBMFYSA-N 2 1 367.457 0.653 20 0 FCADMP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC[C@H]1[NH3+] ZINC001604107693 1287571719 /nfs/dbraw/zinc/57/17/19/1287571719.db2.gz JDMAVRXAGHXTNJ-LYRGGWFBSA-N 2 1 355.446 0.639 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001604270340 1287596479 /nfs/dbraw/zinc/59/64/79/1287596479.db2.gz BQVHDZHBFKAELN-UONOGXRCSA-N 2 1 372.477 0.735 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001590270620 1283394994 /nfs/dbraw/zinc/39/49/94/1283394994.db2.gz CWEZVKSLVAGPPD-XQJDBVBESA-N 2 1 356.434 0.110 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590276472 1283403178 /nfs/dbraw/zinc/40/31/78/1283403178.db2.gz AGQLXOBWBYAEJQ-XYPYXGAPSA-N 2 1 355.446 0.556 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590276467 1283403587 /nfs/dbraw/zinc/40/35/87/1283403587.db2.gz AGQLXOBWBYAEJQ-HOJOPBEUSA-N 2 1 355.446 0.556 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)NCCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001590634007 1283673047 /nfs/dbraw/zinc/67/30/47/1283673047.db2.gz YXOGDMMBIPCYMM-AWEZNQCLSA-N 2 1 372.477 0.642 20 0 FCADMP CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590696356 1283737246 /nfs/dbraw/zinc/73/72/46/1283737246.db2.gz LJCHCZJEEBDBFD-OAHLLOKOSA-N 2 1 372.477 0.997 20 0 FCADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071138 1284132035 /nfs/dbraw/zinc/13/20/35/1284132035.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071138 1284132038 /nfs/dbraw/zinc/13/20/38/1284132038.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[nH]n1 ZINC001591071138 1284132046 /nfs/dbraw/zinc/13/20/46/1284132046.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 2 1 357.462 0.757 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591091303 1284163916 /nfs/dbraw/zinc/16/39/16/1284163916.db2.gz RSUPEYZZDJFAEJ-MRXNPFEDSA-N 2 1 355.446 0.606 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591091303 1284163920 /nfs/dbraw/zinc/16/39/20/1284163920.db2.gz RSUPEYZZDJFAEJ-MRXNPFEDSA-N 2 1 355.446 0.606 20 0 FCADMP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001591102199 1284171785 /nfs/dbraw/zinc/17/17/85/1284171785.db2.gz XSMWZAWYGIEHGW-OAHLLOKOSA-N 2 1 361.425 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591176643 1284271704 /nfs/dbraw/zinc/27/17/04/1284271704.db2.gz SCPYMBXNVQHZCQ-HNNXBMFYSA-N 2 1 357.462 0.804 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187316 1284297732 /nfs/dbraw/zinc/29/77/32/1284297732.db2.gz NCQSRDGGNGRSGY-RXYHWBRQSA-N 2 1 355.446 0.723 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001591186613 1284298858 /nfs/dbraw/zinc/29/88/58/1284298858.db2.gz VPFRXFMDBUYEGL-ZENOOKHLSA-N 2 1 373.436 0.837 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001591189205 1284304766 /nfs/dbraw/zinc/30/47/66/1284304766.db2.gz KGJLPRPUTYAXBW-HNNXBMFYSA-N 2 1 361.425 0.696 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001604680103 1287726757 /nfs/dbraw/zinc/72/67/57/1287726757.db2.gz IOQRSMDUTVBOSO-SWLSCSKDSA-N 2 1 356.434 0.251 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001591561564 1284735781 /nfs/dbraw/zinc/73/57/81/1284735781.db2.gz JGPGOUSKDAQPGT-CYBMUJFWSA-N 2 1 373.461 0.423 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001591757563 1284885856 /nfs/dbraw/zinc/88/58/56/1284885856.db2.gz SMZVRDLXJMQBMF-CZUORRHYSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001591760550 1284888572 /nfs/dbraw/zinc/88/85/72/1284888572.db2.gz WJNWKHCWMMRBJL-XWIAVFTESA-N 2 1 358.446 0.538 20 0 FCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001591760550 1284888579 /nfs/dbraw/zinc/88/85/79/1284888579.db2.gz WJNWKHCWMMRBJL-XWIAVFTESA-N 2 1 358.446 0.538 20 0 FCADMP Cc1cc(NC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046698 1285088795 /nfs/dbraw/zinc/08/87/95/1285088795.db2.gz MQAIHNBFRFCELI-NQHOJNORSA-N 2 1 370.461 0.418 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592301859 1285222132 /nfs/dbraw/zinc/22/21/32/1285222132.db2.gz ZXWXOUMQSXJCJH-IHWYPQMZSA-N 2 1 366.429 0.834 20 0 FCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001592711988 1285596832 /nfs/dbraw/zinc/59/68/32/1285596832.db2.gz TVKAUAWYIBBWGG-UHFFFAOYSA-N 2 1 362.413 0.342 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1O ZINC001702392433 1285626532 /nfs/dbraw/zinc/62/65/32/1285626532.db2.gz VNJWLGUXPRVLPU-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001702392433 1285626536 /nfs/dbraw/zinc/62/65/36/1285626536.db2.gz VNJWLGUXPRVLPU-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1O ZINC001702392433 1285626543 /nfs/dbraw/zinc/62/65/43/1285626543.db2.gz VNJWLGUXPRVLPU-ZACQAIPSSA-N 2 1 368.522 0.279 20 0 FCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592742282 1285660988 /nfs/dbraw/zinc/66/09/88/1285660988.db2.gz ZAGOWSWTNALJFA-HPGNRBDVSA-N 2 1 353.430 0.392 20 0 FCADMP [NH3+]CCC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001592745461 1285664083 /nfs/dbraw/zinc/66/40/83/1285664083.db2.gz QIDXERUCSRBWDN-INIZCTEOSA-N 2 1 355.446 0.641 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001592746993 1285667933 /nfs/dbraw/zinc/66/79/33/1285667933.db2.gz ADSCWINPNQKVQK-QOKNQOGYSA-N 2 1 367.457 0.641 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001593413111 1286135824 /nfs/dbraw/zinc/13/58/24/1286135824.db2.gz JHFHXCLYEGMPCK-QLFBSQMISA-N 2 1 355.402 0.234 20 0 FCADMP O[C@H](COc1ccccc1-c1nn[nH]n1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001593511058 1286188027 /nfs/dbraw/zinc/18/80/27/1286188027.db2.gz FGMXKXQOJAIVLL-IJEWVQPXSA-N 2 1 358.446 0.680 20 0 FCADMP CC[N@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001710275885 1287169909 /nfs/dbraw/zinc/16/99/09/1287169909.db2.gz VXSAEYHNJKTYHH-OAHLLOKOSA-N 2 1 350.511 0.964 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001719304256 1288072999 /nfs/dbraw/zinc/07/29/99/1288072999.db2.gz UBCDQNWGIYDZBK-ZACQAIPSSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001719331466 1288096937 /nfs/dbraw/zinc/09/69/37/1288096937.db2.gz AWORMBKZEUKIDT-HZPDHXFCSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721157671 1288303415 /nfs/dbraw/zinc/30/34/15/1288303415.db2.gz HADIALYHHQIKAT-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721157671 1288303416 /nfs/dbraw/zinc/30/34/16/1288303416.db2.gz HADIALYHHQIKAT-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP [NH3+]C/C=C/CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606438453 1288318372 /nfs/dbraw/zinc/31/83/72/1288318372.db2.gz UIUCGPDYWIASER-OWOJBTEDSA-N 2 1 370.461 0.599 20 0 FCADMP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001606477806 1288338009 /nfs/dbraw/zinc/33/80/09/1288338009.db2.gz VPYXLKQIVHUFNX-NUEKZKHPSA-N 2 1 353.430 0.264 20 0 FCADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829861 1288430067 /nfs/dbraw/zinc/43/00/67/1288430067.db2.gz MYFRFKUJIQIBDI-HUUCEWRRSA-N 2 1 372.477 0.206 20 0 FCADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001723829861 1288430069 /nfs/dbraw/zinc/43/00/69/1288430069.db2.gz MYFRFKUJIQIBDI-HUUCEWRRSA-N 2 1 372.477 0.206 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCNC(=O)C4CC4)C3)C2)CC[N@H+]1C ZINC001733296896 1288607606 /nfs/dbraw/zinc/60/76/06/1288607606.db2.gz UOUHOXOFRUIDDS-WRWLIDTKSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCNC(=O)C4CC4)C3)C2)CC[NH+]1C ZINC001733296896 1288607612 /nfs/dbraw/zinc/60/76/12/1288607612.db2.gz UOUHOXOFRUIDDS-WRWLIDTKSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCNC(=O)C4CC4)C3)C2)CC[NH+]1C ZINC001733296896 1288607614 /nfs/dbraw/zinc/60/76/14/1288607614.db2.gz UOUHOXOFRUIDDS-WRWLIDTKSA-N 2 1 362.518 0.777 20 0 FCADMP O=C1NCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001607052119 1288620991 /nfs/dbraw/zinc/62/09/91/1288620991.db2.gz PXYZDEGVMVQNBW-INIZCTEOSA-N 2 1 369.473 0.947 20 0 FCADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001607095682 1288660060 /nfs/dbraw/zinc/66/00/60/1288660060.db2.gz WWHQELJGXVIQSL-ROUUACIJSA-N 2 1 372.473 0.961 20 0 FCADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC001607098533 1288661169 /nfs/dbraw/zinc/66/11/69/1288661169.db2.gz ZASZPCVHKTZWAF-INIZCTEOSA-N 2 1 358.446 0.823 20 0 FCADMP OC[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@@H](CO)C3)cc(-c3nn[nH]n3)c2)C1 ZINC001607105221 1288663106 /nfs/dbraw/zinc/66/31/06/1288663106.db2.gz BOBPAFRKDQZVFE-HUUCEWRRSA-N 2 1 372.473 0.495 20 0 FCADMP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC001736233841 1289213480 /nfs/dbraw/zinc/21/34/80/1289213480.db2.gz YWDIFDGEOQUGNZ-ZACQAIPSSA-N 2 1 350.507 0.587 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001691917941 1289342952 /nfs/dbraw/zinc/34/29/52/1289342952.db2.gz UNQIIWRKYJSMQK-YESZJQIVSA-N 2 1 350.507 0.825 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001691932832 1289344691 /nfs/dbraw/zinc/34/46/91/1289344691.db2.gz VUYUSVBYRSJTSE-KURKYZTESA-N 2 1 358.486 0.801 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001691932832 1289344702 /nfs/dbraw/zinc/34/47/02/1289344702.db2.gz VUYUSVBYRSJTSE-KURKYZTESA-N 2 1 358.486 0.801 20 0 FCADMP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)Cc1ccccc1 ZINC001691958007 1289350009 /nfs/dbraw/zinc/35/00/09/1289350009.db2.gz MXIVNOFWPMRTIB-RCCFBDPRSA-N 2 1 358.486 0.881 20 0 FCADMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)Cc1ccccc1 ZINC001691958007 1289350021 /nfs/dbraw/zinc/35/00/21/1289350021.db2.gz MXIVNOFWPMRTIB-RCCFBDPRSA-N 2 1 358.486 0.881 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001692080794 1289385626 /nfs/dbraw/zinc/38/56/26/1289385626.db2.gz QHRAOLFKRCRJSH-CVEARBPZSA-N 2 1 364.490 0.258 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001692080794 1289385634 /nfs/dbraw/zinc/38/56/34/1289385634.db2.gz QHRAOLFKRCRJSH-CVEARBPZSA-N 2 1 364.490 0.258 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001692080794 1289385643 /nfs/dbraw/zinc/38/56/43/1289385643.db2.gz QHRAOLFKRCRJSH-CVEARBPZSA-N 2 1 364.490 0.258 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(CC)CC)CC[C@@H]2C1)[NH+](C)C ZINC001692083555 1289389207 /nfs/dbraw/zinc/38/92/07/1289389207.db2.gz YEUOSRGSKMVSPK-IKGGRYGDSA-N 2 1 352.523 0.975 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001692084407 1289391291 /nfs/dbraw/zinc/39/12/91/1289391291.db2.gz BMPFSRXLLVTTAG-MSOLQXFVSA-N 2 1 362.518 0.731 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001692215280 1289430070 /nfs/dbraw/zinc/43/00/70/1289430070.db2.gz WCCDMWIUDWSNRG-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001692215280 1289430075 /nfs/dbraw/zinc/43/00/75/1289430075.db2.gz WCCDMWIUDWSNRG-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001692215280 1289430080 /nfs/dbraw/zinc/43/00/80/1289430080.db2.gz WCCDMWIUDWSNRG-HYVNUMGLSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001692232821 1289433535 /nfs/dbraw/zinc/43/35/35/1289433535.db2.gz XMKOKASLASBOOS-KGLIPLIRSA-N 2 1 353.467 0.026 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001692232821 1289433539 /nfs/dbraw/zinc/43/35/39/1289433539.db2.gz XMKOKASLASBOOS-KGLIPLIRSA-N 2 1 353.467 0.026 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)N(CC)CC)CC[C@@H]2C1 ZINC001692289128 1289444215 /nfs/dbraw/zinc/44/42/15/1289444215.db2.gz KGTDOMUABRUJCF-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(CC)CC)CC[C@@H]2C1 ZINC001692289128 1289444220 /nfs/dbraw/zinc/44/42/20/1289444220.db2.gz KGTDOMUABRUJCF-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(CC)CC)CC[C@@H]2C1 ZINC001692289128 1289444227 /nfs/dbraw/zinc/44/42/27/1289444227.db2.gz KGTDOMUABRUJCF-SJORKVTESA-N 2 1 352.523 0.977 20 0 FCADMP COCC[N@@H+](C)CCn1c(C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001698026991 1289521817 /nfs/dbraw/zinc/52/18/17/1289521817.db2.gz JRYAUJOXKKNTIF-KRWDZBQOSA-N 2 1 366.510 0.323 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+]([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001698720669 1289533864 /nfs/dbraw/zinc/53/38/64/1289533864.db2.gz CAOMJVKVNFRDKV-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699578254 1289558588 /nfs/dbraw/zinc/55/85/88/1289558588.db2.gz YXXPNNDUCWXQQS-BPLDGKMQSA-N 2 1 367.494 0.047 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nncn3C)CCOCC2)CC[N@@H+]1C ZINC001699880305 1289569289 /nfs/dbraw/zinc/56/92/89/1289569289.db2.gz ICBSHIBJSGLSDI-LSDHHAIUSA-N 2 1 364.494 0.300 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nncn3C)CCOCC2)CC[N@H+]1C ZINC001699880305 1289569298 /nfs/dbraw/zinc/56/92/98/1289569298.db2.gz ICBSHIBJSGLSDI-LSDHHAIUSA-N 2 1 364.494 0.300 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001739136294 1289814302 /nfs/dbraw/zinc/81/43/02/1289814302.db2.gz KPGLNMJVFNEFIX-RKHAHWSXSA-N 2 1 350.507 0.917 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001739136294 1289814317 /nfs/dbraw/zinc/81/43/17/1289814317.db2.gz KPGLNMJVFNEFIX-RKHAHWSXSA-N 2 1 350.507 0.917 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001739727919 1290398904 /nfs/dbraw/zinc/39/89/04/1290398904.db2.gz TZCVALMCIMTVMV-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001672416017 1292080348 /nfs/dbraw/zinc/08/03/48/1292080348.db2.gz BAUPHRYHCIPDSE-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001672416017 1292080357 /nfs/dbraw/zinc/08/03/57/1292080357.db2.gz BAUPHRYHCIPDSE-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP CCN(CC)C(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001672416017 1292080366 /nfs/dbraw/zinc/08/03/66/1292080366.db2.gz BAUPHRYHCIPDSE-WCXIOVBPSA-N 2 1 350.507 0.585 20 0 FCADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001679408580 1292303529 /nfs/dbraw/zinc/30/35/29/1292303529.db2.gz DETROLLMSQJOAP-AEFFLSMTSA-N 2 1 368.522 0.633 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001688022206 1293036351 /nfs/dbraw/zinc/03/63/51/1293036351.db2.gz OBCUMXPAQJRJKE-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001688022205 1293037033 /nfs/dbraw/zinc/03/70/33/1293037033.db2.gz OBCUMXPAQJRJKE-BQJWPVKWSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001688566588 1294509009 /nfs/dbraw/zinc/50/90/09/1294509009.db2.gz TYLVULKJUULCMT-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC[N@H+]1C ZINC001688614923 1294512696 /nfs/dbraw/zinc/51/26/96/1294512696.db2.gz JOYOUPIQZODFKR-HRCADAONSA-N 2 1 356.486 0.724 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001689086502 1294605979 /nfs/dbraw/zinc/60/59/79/1294605979.db2.gz SEILBJGBTUIQHB-BRWVUGGUSA-N 2 1 368.522 0.353 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001689086502 1294605987 /nfs/dbraw/zinc/60/59/87/1294605987.db2.gz SEILBJGBTUIQHB-BRWVUGGUSA-N 2 1 368.522 0.353 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001689086502 1294605998 /nfs/dbraw/zinc/60/59/98/1294605998.db2.gz SEILBJGBTUIQHB-BRWVUGGUSA-N 2 1 368.522 0.353 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001689177086 1294643826 /nfs/dbraw/zinc/64/38/26/1294643826.db2.gz WPHQCQKOXXRTLW-HZSPNIEDSA-N 2 1 353.467 0.025 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001689177086 1294643834 /nfs/dbraw/zinc/64/38/34/1294643834.db2.gz WPHQCQKOXXRTLW-HZSPNIEDSA-N 2 1 353.467 0.025 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC(N)=O ZINC001689177086 1294643843 /nfs/dbraw/zinc/64/38/43/1294643843.db2.gz WPHQCQKOXXRTLW-HZSPNIEDSA-N 2 1 353.467 0.025 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC(N)=O ZINC001689177086 1294643855 /nfs/dbraw/zinc/64/38/55/1294643855.db2.gz WPHQCQKOXXRTLW-HZSPNIEDSA-N 2 1 353.467 0.025 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689239115 1294699871 /nfs/dbraw/zinc/69/98/71/1294699871.db2.gz ZPRXWIUJMRBKGR-SQNIBIBYSA-N 2 1 353.507 0.650 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001689238904 1294701048 /nfs/dbraw/zinc/70/10/48/1294701048.db2.gz QLLVKMUHLLPFCG-KSZLIROESA-N 2 1 353.507 0.772 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001689245129 1294703071 /nfs/dbraw/zinc/70/30/71/1294703071.db2.gz OLBHPJDTZHOTJB-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)[C@H]2CCCN(C)C2=O)CC[NH+]1C ZINC001689245129 1294703079 /nfs/dbraw/zinc/70/30/79/1294703079.db2.gz OLBHPJDTZHOTJB-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)[C@H]2CCCN(C)C2=O)CC[NH+]1C ZINC001689245129 1294703083 /nfs/dbraw/zinc/70/30/83/1294703083.db2.gz OLBHPJDTZHOTJB-ZACQAIPSSA-N 2 1 368.522 0.354 20 0 FCADMP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001689342150 1294764733 /nfs/dbraw/zinc/76/47/33/1294764733.db2.gz IXICAWBACLIMDJ-CABCVRRESA-N 2 1 367.494 0.287 20 0 FCADMP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001689342150 1294764741 /nfs/dbraw/zinc/76/47/41/1294764741.db2.gz IXICAWBACLIMDJ-CABCVRRESA-N 2 1 367.494 0.287 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC001689349628 1294766655 /nfs/dbraw/zinc/76/66/55/1294766655.db2.gz LGPYLISBTJGLCG-GJWNAUMXSA-N 2 1 350.507 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001689349628 1294766665 /nfs/dbraw/zinc/76/66/65/1294766665.db2.gz LGPYLISBTJGLCG-GJWNAUMXSA-N 2 1 350.507 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001689349628 1294766670 /nfs/dbraw/zinc/76/66/70/1294766670.db2.gz LGPYLISBTJGLCG-GJWNAUMXSA-N 2 1 350.507 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001689608794 1294813686 /nfs/dbraw/zinc/81/36/86/1294813686.db2.gz UVUDEXBKBBJCQL-XUWVNRHRSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC001689608794 1294813699 /nfs/dbraw/zinc/81/36/99/1294813699.db2.gz UVUDEXBKBBJCQL-XUWVNRHRSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC001689608794 1294813710 /nfs/dbraw/zinc/81/37/10/1294813710.db2.gz UVUDEXBKBBJCQL-XUWVNRHRSA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001690151758 1294859418 /nfs/dbraw/zinc/85/94/18/1294859418.db2.gz SBFJISRAVJBHFX-XYPHTWIQSA-N 2 1 362.474 0.720 20 0 FCADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164683386 719609142 /nfs/dbraw/zinc/60/91/42/719609142.db2.gz IPQWMEBGUUFXCB-UHFFFAOYSA-N 3 1 370.505 0.558 20 0 FCADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164683386 719609150 /nfs/dbraw/zinc/60/91/50/719609150.db2.gz IPQWMEBGUUFXCB-UHFFFAOYSA-N 3 1 370.505 0.558 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164683755 719723469 /nfs/dbraw/zinc/72/34/69/719723469.db2.gz GCKJCQQUBLBMSY-UHFFFAOYSA-N 2 1 373.505 0.067 20 0 FCADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164683719 719730084 /nfs/dbraw/zinc/73/00/84/719730084.db2.gz DBEOCSUHHLCAKX-UHFFFAOYSA-N 2 1 374.489 0.494 20 0 FCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164683719 719730092 /nfs/dbraw/zinc/73/00/92/719730092.db2.gz DBEOCSUHHLCAKX-UHFFFAOYSA-N 2 1 374.489 0.494 20 0 FCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@@H+]3C2)cn1 ZINC001164741519 720609958 /nfs/dbraw/zinc/60/99/58/720609958.db2.gz LIMZNRLFWRFZFL-LSDHHAIUSA-N 2 1 367.457 0.297 20 0 FCADMP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739092 720632304 /nfs/dbraw/zinc/63/23/04/720632304.db2.gz DYHDSTZJTBWROL-HZPDHXFCSA-N 2 1 352.442 0.859 20 0 FCADMP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739090 720633639 /nfs/dbraw/zinc/63/36/39/720633639.db2.gz DYHDSTZJTBWROL-CVEARBPZSA-N 2 1 352.442 0.859 20 0 FCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164744161 720730652 /nfs/dbraw/zinc/73/06/52/720730652.db2.gz RIGJFWRLKIUBIS-HUUCEWRRSA-N 2 1 353.430 0.254 20 0 FCADMP Cc1nc(N(C)C)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]1 ZINC001164748780 720946754 /nfs/dbraw/zinc/94/67/54/720946754.db2.gz CRTDUWUIXHABMB-UHFFFAOYSA-N 2 1 373.461 0.693 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164766406 721075304 /nfs/dbraw/zinc/07/53/04/721075304.db2.gz KETJVTAKDSZUGX-IRXDYDNUSA-N 2 1 367.501 0.857 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164923180 721848336 /nfs/dbraw/zinc/84/83/36/721848336.db2.gz SPLPXLANMNVOFV-LSDHHAIUSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164923180 721848337 /nfs/dbraw/zinc/84/83/37/721848337.db2.gz SPLPXLANMNVOFV-LSDHHAIUSA-N 2 1 350.898 0.990 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933310 721880873 /nfs/dbraw/zinc/88/08/73/721880873.db2.gz LXIWIKHJQJIXLN-DLBZAZTESA-N 2 1 360.506 0.822 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933310 721880875 /nfs/dbraw/zinc/88/08/75/721880875.db2.gz LXIWIKHJQJIXLN-DLBZAZTESA-N 2 1 360.506 0.822 20 0 FCADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933311 721881031 /nfs/dbraw/zinc/88/10/31/721881031.db2.gz LXIWIKHJQJIXLN-IAGOWNOFSA-N 2 1 360.506 0.822 20 0 FCADMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164933311 721881034 /nfs/dbraw/zinc/88/10/34/721881034.db2.gz LXIWIKHJQJIXLN-IAGOWNOFSA-N 2 1 360.506 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001067536535 837465703 /nfs/dbraw/zinc/46/57/03/837465703.db2.gz YYYFFRJAERWAHK-HZPDHXFCSA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070372251 837650489 /nfs/dbraw/zinc/65/04/89/837650489.db2.gz ZDXKALIBNYHTNE-IIVZCXTMSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001070576940 837660053 /nfs/dbraw/zinc/66/00/53/837660053.db2.gz JBFDGURJIPYOFT-MELADBBJSA-N 2 1 350.467 0.591 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001070576940 837660057 /nfs/dbraw/zinc/66/00/57/837660057.db2.gz JBFDGURJIPYOFT-MELADBBJSA-N 2 1 350.467 0.591 20 0 FCADMP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001070576940 837660061 /nfs/dbraw/zinc/66/00/61/837660061.db2.gz JBFDGURJIPYOFT-MELADBBJSA-N 2 1 350.467 0.591 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001070807505 837682300 /nfs/dbraw/zinc/68/23/00/837682300.db2.gz XZDUBAMGVCQDKY-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP COC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964479 837705785 /nfs/dbraw/zinc/70/57/85/837705785.db2.gz KMACAOXVEVSCLI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964479 837705794 /nfs/dbraw/zinc/70/57/94/837705794.db2.gz KMACAOXVEVSCLI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964479 837705797 /nfs/dbraw/zinc/70/57/97/837705797.db2.gz KMACAOXVEVSCLI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COC[C@@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964479 837705802 /nfs/dbraw/zinc/70/58/02/837705802.db2.gz KMACAOXVEVSCLI-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP C[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001099301110 844013521 /nfs/dbraw/zinc/01/35/21/844013521.db2.gz AYOSRDKSPREYNH-FRRDWIJNSA-N 2 1 362.396 0.196 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C(F)(F)F)cn1 ZINC001099343336 844035862 /nfs/dbraw/zinc/03/58/62/844035862.db2.gz KCKYJTBEVFCIDI-ZIAGYGMSSA-N 2 1 359.396 0.995 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001099346667 844037802 /nfs/dbraw/zinc/03/78/02/844037802.db2.gz GPSLICCHWYGYIF-YRGRVCCFSA-N 2 1 364.412 0.571 20 0 FCADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000388792053 836055036 /nfs/dbraw/zinc/05/50/36/836055036.db2.gz IOBXBPKEVBUMOF-KRWDZBQOSA-N 2 1 352.504 0.733 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101277696 844130325 /nfs/dbraw/zinc/13/03/25/844130325.db2.gz UONQGERMFWZWNG-MDZRGWNJSA-N 2 1 350.507 0.633 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101285103 844134891 /nfs/dbraw/zinc/13/48/91/844134891.db2.gz OTFIZFIGNZXFEJ-PBHICJAKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101285103 844134896 /nfs/dbraw/zinc/13/48/96/844134896.db2.gz OTFIZFIGNZXFEJ-PBHICJAKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101285103 844134901 /nfs/dbraw/zinc/13/49/01/844134901.db2.gz OTFIZFIGNZXFEJ-PBHICJAKSA-N 2 1 359.536 0.542 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101285103 844134906 /nfs/dbraw/zinc/13/49/06/844134906.db2.gz OTFIZFIGNZXFEJ-PBHICJAKSA-N 2 1 359.536 0.542 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312767 844142251 /nfs/dbraw/zinc/14/22/51/844142251.db2.gz JZRLFGOQHQMCFV-QAPCUYQASA-N 2 1 350.507 0.777 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747566696 836249347 /nfs/dbraw/zinc/24/93/47/836249347.db2.gz FAQKLSQOEQAEOC-FGTMMUONSA-N 2 1 352.523 0.724 20 0 FCADMP C[N@@H+](CCC(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1)C1CCCCC1 ZINC001101312966 844143226 /nfs/dbraw/zinc/14/32/26/844143226.db2.gz VEWXELHDAFWMSU-BEFAXECRSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](CCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)C1CCCCC1 ZINC001101312966 844143235 /nfs/dbraw/zinc/14/32/35/844143235.db2.gz VEWXELHDAFWMSU-BEFAXECRSA-N 2 1 350.507 0.907 20 0 FCADMP C[NH+](CCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)C1CCCCC1 ZINC001101312966 844143241 /nfs/dbraw/zinc/14/32/41/844143241.db2.gz VEWXELHDAFWMSU-BEFAXECRSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000748049607 836279469 /nfs/dbraw/zinc/27/94/69/836279469.db2.gz LXRSAMWRFBGIIQ-GJZGRUSLSA-N 2 1 355.483 0.672 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341203 844151716 /nfs/dbraw/zinc/15/17/16/844151716.db2.gz APDJGHWNBJMEOM-DAYGRLMNSA-N 2 1 350.507 0.585 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353037 844156069 /nfs/dbraw/zinc/15/60/69/844156069.db2.gz PVOYGVDNTCOCGE-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353037 844156077 /nfs/dbraw/zinc/15/60/77/844156077.db2.gz PVOYGVDNTCOCGE-WBVHZDCISA-N 2 1 359.536 0.543 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368941 844163044 /nfs/dbraw/zinc/16/30/44/844163044.db2.gz VOWULCCSIONOGM-BEFAXECRSA-N 2 1 352.523 0.833 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368941 844163047 /nfs/dbraw/zinc/16/30/47/844163047.db2.gz VOWULCCSIONOGM-BEFAXECRSA-N 2 1 352.523 0.833 20 0 FCADMP CN(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368941 844163050 /nfs/dbraw/zinc/16/30/50/844163050.db2.gz VOWULCCSIONOGM-BEFAXECRSA-N 2 1 352.523 0.833 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001101397668 844173588 /nfs/dbraw/zinc/17/35/88/844173588.db2.gz BJJYYZZJYCPYLC-APWZRJJASA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101418474 844180046 /nfs/dbraw/zinc/18/00/46/844180046.db2.gz TZYHEKKJBCKUAQ-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101418474 844180051 /nfs/dbraw/zinc/18/00/51/844180051.db2.gz TZYHEKKJBCKUAQ-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101418474 844180055 /nfs/dbraw/zinc/18/00/55/844180055.db2.gz TZYHEKKJBCKUAQ-APWZRJJASA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101418259 844180164 /nfs/dbraw/zinc/18/01/64/844180164.db2.gz ISLOFVZMBKUNBA-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101418259 844180166 /nfs/dbraw/zinc/18/01/66/844180166.db2.gz ISLOFVZMBKUNBA-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101418259 844180173 /nfs/dbraw/zinc/18/01/73/844180173.db2.gz ISLOFVZMBKUNBA-APWZRJJASA-N 2 1 352.523 0.881 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001026496532 836593691 /nfs/dbraw/zinc/59/36/91/836593691.db2.gz IFVPSNDXSRRNJP-PRLABOORSA-N 2 1 351.495 0.369 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC001026496369 836594172 /nfs/dbraw/zinc/59/41/72/836594172.db2.gz ZLNIMQVGZVQZSU-RDHHWEPZSA-N 2 1 350.507 0.966 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001061621581 836701262 /nfs/dbraw/zinc/70/12/62/836701262.db2.gz ZEYHRJNALVSMNF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621581 836701265 /nfs/dbraw/zinc/70/12/65/836701265.db2.gz ZEYHRJNALVSMNF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CCC[NH+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621581 836701269 /nfs/dbraw/zinc/70/12/69/836701269.db2.gz ZEYHRJNALVSMNF-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101478595 844203014 /nfs/dbraw/zinc/20/30/14/844203014.db2.gz WAWWWRIFULWRJV-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101478595 844203021 /nfs/dbraw/zinc/20/30/21/844203021.db2.gz WAWWWRIFULWRJV-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101478595 844203031 /nfs/dbraw/zinc/20/30/31/844203031.db2.gz WAWWWRIFULWRJV-APWZRJJASA-N 2 1 350.507 0.633 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001075881081 837922088 /nfs/dbraw/zinc/92/20/88/837922088.db2.gz CIKIFNQSFODSRZ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001075881081 837922096 /nfs/dbraw/zinc/92/20/96/837922096.db2.gz CIKIFNQSFODSRZ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075881081 837922105 /nfs/dbraw/zinc/92/21/05/837922105.db2.gz CIKIFNQSFODSRZ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075881081 837922112 /nfs/dbraw/zinc/92/21/12/837922112.db2.gz CIKIFNQSFODSRZ-YESZJQIVSA-N 2 1 350.507 0.870 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571807 838019370 /nfs/dbraw/zinc/01/93/70/838019370.db2.gz ZUSLKHSXMUVNAE-JKSUJKDBSA-N 2 1 364.515 0.847 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571807 838019380 /nfs/dbraw/zinc/01/93/80/838019380.db2.gz ZUSLKHSXMUVNAE-JKSUJKDBSA-N 2 1 364.515 0.847 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128160 838752591 /nfs/dbraw/zinc/75/25/91/838752591.db2.gz ZNRHKHBQDYSMEG-CGTJXYLNSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128160 838752595 /nfs/dbraw/zinc/75/25/95/838752595.db2.gz ZNRHKHBQDYSMEG-CGTJXYLNSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077128160 838752601 /nfs/dbraw/zinc/75/26/01/838752601.db2.gz ZNRHKHBQDYSMEG-CGTJXYLNSA-N 2 1 353.507 0.695 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219796 838822677 /nfs/dbraw/zinc/82/26/77/838822677.db2.gz YQPZXLPDRRPMDT-GVDBMIGSSA-N 2 1 351.491 0.450 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001077504868 839002223 /nfs/dbraw/zinc/00/22/23/839002223.db2.gz BZXURERKFUKIQI-IAGOWNOFSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505168 839003789 /nfs/dbraw/zinc/00/37/89/839003789.db2.gz RCHHEQGPKACEIM-BZUAXINKSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O)[NH+]1CCCC1 ZINC001077505168 839003803 /nfs/dbraw/zinc/00/38/03/839003803.db2.gz RCHHEQGPKACEIM-BZUAXINKSA-N 2 1 353.507 0.837 20 0 FCADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554123 839029267 /nfs/dbraw/zinc/02/92/67/839029267.db2.gz ZAXSLCTWIFMGKM-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554123 839029273 /nfs/dbraw/zinc/02/92/73/839029273.db2.gz ZAXSLCTWIFMGKM-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)C1 ZINC001077554123 839029281 /nfs/dbraw/zinc/02/92/81/839029281.db2.gz ZAXSLCTWIFMGKM-CGTJXYLNSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566799 839042460 /nfs/dbraw/zinc/04/24/60/839042460.db2.gz OKRFGYAXGYVYRW-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566799 839042470 /nfs/dbraw/zinc/04/24/70/839042470.db2.gz OKRFGYAXGYVYRW-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566799 839042485 /nfs/dbraw/zinc/04/24/85/839042485.db2.gz OKRFGYAXGYVYRW-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2O)C1 ZINC001077566799 839042494 /nfs/dbraw/zinc/04/24/94/839042494.db2.gz OKRFGYAXGYVYRW-KURKYZTESA-N 2 1 353.507 0.837 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102044701 844394834 /nfs/dbraw/zinc/39/48/34/844394834.db2.gz AXZMPEAHBZXHFL-HZPDHXFCSA-N 2 1 350.507 0.777 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077618407 839072806 /nfs/dbraw/zinc/07/28/06/839072806.db2.gz HPMHYTUBHQFIBV-KZNAEPCWSA-N 2 1 353.507 0.431 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675298 839102137 /nfs/dbraw/zinc/10/21/37/839102137.db2.gz IESAIVGINYECSP-BPLDGKMQSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675298 839102144 /nfs/dbraw/zinc/10/21/44/839102144.db2.gz IESAIVGINYECSP-BPLDGKMQSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675298 839102150 /nfs/dbraw/zinc/10/21/50/839102150.db2.gz IESAIVGINYECSP-BPLDGKMQSA-N 2 1 352.504 0.640 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675298 839102155 /nfs/dbraw/zinc/10/21/55/839102155.db2.gz IESAIVGINYECSP-BPLDGKMQSA-N 2 1 352.504 0.640 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059448 844399988 /nfs/dbraw/zinc/39/99/88/844399988.db2.gz PPBIKEYJPAJQOH-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059448 844399995 /nfs/dbraw/zinc/39/99/95/844399995.db2.gz PPBIKEYJPAJQOH-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059448 844399999 /nfs/dbraw/zinc/39/99/99/844399999.db2.gz PPBIKEYJPAJQOH-INMHGKMJSA-N 2 1 350.507 0.824 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077778966 839153550 /nfs/dbraw/zinc/15/35/50/839153550.db2.gz AIXNQIVABIWWMR-RBSFLKMASA-N 2 1 361.433 0.304 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077778966 839153554 /nfs/dbraw/zinc/15/35/54/839153554.db2.gz AIXNQIVABIWWMR-RBSFLKMASA-N 2 1 361.433 0.304 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077778965 839153725 /nfs/dbraw/zinc/15/37/25/839153725.db2.gz AIXNQIVABIWWMR-KFWWJZLASA-N 2 1 361.433 0.304 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077778965 839153729 /nfs/dbraw/zinc/15/37/29/839153729.db2.gz AIXNQIVABIWWMR-KFWWJZLASA-N 2 1 361.433 0.304 20 0 FCADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C)[NH+](C)C ZINC001102087974 844408580 /nfs/dbraw/zinc/40/85/80/844408580.db2.gz FWMNTRWKKNEHBW-KBRIMQKVSA-N 2 1 350.511 0.919 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102090846 844409233 /nfs/dbraw/zinc/40/92/33/844409233.db2.gz HEKRRRJAJGADMN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001102090846 844409238 /nfs/dbraw/zinc/40/92/38/844409238.db2.gz HEKRRRJAJGADMN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001102090846 844409242 /nfs/dbraw/zinc/40/92/42/844409242.db2.gz HEKRRRJAJGADMN-DJIMGWMZSA-N 2 1 350.507 0.681 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077892945 839210794 /nfs/dbraw/zinc/21/07/94/839210794.db2.gz RZERTKAVGCAZLK-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077892945 839210809 /nfs/dbraw/zinc/21/08/09/839210809.db2.gz RZERTKAVGCAZLK-KZNAEPCWSA-N 2 1 353.507 0.696 20 0 FCADMP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978802 839266111 /nfs/dbraw/zinc/26/61/11/839266111.db2.gz OZIPQXZNBOUONV-CGTJXYLNSA-N 2 1 351.491 0.306 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078005742 839285092 /nfs/dbraw/zinc/28/50/92/839285092.db2.gz HFXZYDOYIADCBS-NUEKZKHPSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078005742 839285107 /nfs/dbraw/zinc/28/51/07/839285107.db2.gz HFXZYDOYIADCBS-NUEKZKHPSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005742 839285121 /nfs/dbraw/zinc/28/51/21/839285121.db2.gz HFXZYDOYIADCBS-NUEKZKHPSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005742 839285134 /nfs/dbraw/zinc/28/51/34/839285134.db2.gz HFXZYDOYIADCBS-NUEKZKHPSA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001078005388 839286600 /nfs/dbraw/zinc/28/66/00/839286600.db2.gz BVNNYFAPYVDFNC-RBSFLKMASA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001078005388 839286616 /nfs/dbraw/zinc/28/66/16/839286616.db2.gz BVNNYFAPYVDFNC-RBSFLKMASA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001078005388 839286630 /nfs/dbraw/zinc/28/66/30/839286630.db2.gz BVNNYFAPYVDFNC-RBSFLKMASA-N 2 1 352.504 0.763 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001078005388 839286641 /nfs/dbraw/zinc/28/66/41/839286641.db2.gz BVNNYFAPYVDFNC-RBSFLKMASA-N 2 1 352.504 0.763 20 0 FCADMP COCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171418 844434020 /nfs/dbraw/zinc/43/40/20/844434020.db2.gz WXTLQVYOYARWPI-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP COCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171418 844434025 /nfs/dbraw/zinc/43/40/25/844434025.db2.gz WXTLQVYOYARWPI-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP COCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171418 844434028 /nfs/dbraw/zinc/43/40/28/844434028.db2.gz WXTLQVYOYARWPI-QCZOYZIOSA-N 2 1 351.491 0.570 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079260820 839501716 /nfs/dbraw/zinc/50/17/16/839501716.db2.gz REZVBLBHAPNUCW-YESZJQIVSA-N 2 1 351.491 0.402 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289838 844459885 /nfs/dbraw/zinc/45/98/85/844459885.db2.gz TVXYSFXPZRLPDZ-OWCLPIDISA-N 2 1 371.547 0.447 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102290708 844460127 /nfs/dbraw/zinc/46/01/27/844460127.db2.gz RSJXZRYIYZXKOT-BZUAXINKSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080160836 839675558 /nfs/dbraw/zinc/67/55/58/839675558.db2.gz ACABJNRZFDMARG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080160836 839675564 /nfs/dbraw/zinc/67/55/64/839675564.db2.gz ACABJNRZFDMARG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccns2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080160836 839675567 /nfs/dbraw/zinc/67/55/67/839675567.db2.gz ACABJNRZFDMARG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccns2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080160836 839675573 /nfs/dbraw/zinc/67/55/73/839675573.db2.gz ACABJNRZFDMARG-YRWBVFEESA-N 2 1 362.499 0.943 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254693 839691550 /nfs/dbraw/zinc/69/15/50/839691550.db2.gz BVLZPDBHTSSNGQ-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254693 839691555 /nfs/dbraw/zinc/69/15/55/839691555.db2.gz BVLZPDBHTSSNGQ-OAGGEKHMSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311204 839699901 /nfs/dbraw/zinc/69/99/01/839699901.db2.gz VTPVMMLNBILJNM-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311204 839699908 /nfs/dbraw/zinc/69/99/08/839699908.db2.gz VTPVMMLNBILJNM-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311204 839699911 /nfs/dbraw/zinc/69/99/11/839699911.db2.gz VTPVMMLNBILJNM-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001080311204 839699915 /nfs/dbraw/zinc/69/99/15/839699915.db2.gz VTPVMMLNBILJNM-BFYDXBDKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314682 844464788 /nfs/dbraw/zinc/46/47/88/844464788.db2.gz VFLOGGGEXCWKEN-IAGOWNOFSA-N 2 1 352.523 0.881 20 0 FCADMP COCc1noc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102318680 844466047 /nfs/dbraw/zinc/46/60/47/844466047.db2.gz FGXCTVMWGFMRKV-MGPQQGTHSA-N 2 1 353.467 0.913 20 0 FCADMP COCc1noc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)n1 ZINC001102318680 844466052 /nfs/dbraw/zinc/46/60/52/844466052.db2.gz FGXCTVMWGFMRKV-MGPQQGTHSA-N 2 1 353.467 0.913 20 0 FCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318590 844466383 /nfs/dbraw/zinc/46/63/83/844466383.db2.gz ACVGYXZPYGGYSN-OWCLPIDISA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001080705048 839780279 /nfs/dbraw/zinc/78/02/79/839780279.db2.gz ZJPNYZLQSLGFDU-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080783330 839798401 /nfs/dbraw/zinc/79/84/01/839798401.db2.gz OYHGJWNAEHZRHQ-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080783330 839798412 /nfs/dbraw/zinc/79/84/12/839798412.db2.gz OYHGJWNAEHZRHQ-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080783330 839798423 /nfs/dbraw/zinc/79/84/23/839798423.db2.gz OYHGJWNAEHZRHQ-FVQBIDKESA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080783331 839799570 /nfs/dbraw/zinc/79/95/70/839799570.db2.gz OYHGJWNAEHZRHQ-VNQPRFMTSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080783331 839799575 /nfs/dbraw/zinc/79/95/75/839799575.db2.gz OYHGJWNAEHZRHQ-VNQPRFMTSA-N 2 1 366.531 0.997 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080783331 839799582 /nfs/dbraw/zinc/79/95/82/839799582.db2.gz OYHGJWNAEHZRHQ-VNQPRFMTSA-N 2 1 366.531 0.997 20 0 FCADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C)[NH+](C)C ZINC001102377047 844480083 /nfs/dbraw/zinc/48/00/83/844480083.db2.gz LELBTTFVJWIKMZ-OIISXLGYSA-N 2 1 352.523 0.927 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694130 840002772 /nfs/dbraw/zinc/00/27/72/840002772.db2.gz LLUGXYPNNZCFES-DNNBLBMLSA-N 2 1 350.463 0.947 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694130 840002781 /nfs/dbraw/zinc/00/27/81/840002781.db2.gz LLUGXYPNNZCFES-DNNBLBMLSA-N 2 1 350.463 0.947 20 0 FCADMP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694130 840002790 /nfs/dbraw/zinc/00/27/90/840002790.db2.gz LLUGXYPNNZCFES-DNNBLBMLSA-N 2 1 350.463 0.947 20 0 FCADMP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694130 840002798 /nfs/dbraw/zinc/00/27/98/840002798.db2.gz LLUGXYPNNZCFES-DNNBLBMLSA-N 2 1 350.463 0.947 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102466578 844510223 /nfs/dbraw/zinc/51/02/23/844510223.db2.gz QFGYMUAVZSRNHT-NVXWUHKLSA-N 2 1 352.479 0.665 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102466578 844510229 /nfs/dbraw/zinc/51/02/29/844510229.db2.gz QFGYMUAVZSRNHT-NVXWUHKLSA-N 2 1 352.479 0.665 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480263 844519513 /nfs/dbraw/zinc/51/95/13/844519513.db2.gz HVSXUCRFWORMQB-IAGOWNOFSA-N 2 1 350.507 0.635 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082371459 840360465 /nfs/dbraw/zinc/36/04/65/840360465.db2.gz KFPHMNXCNLSHRI-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082371459 840360478 /nfs/dbraw/zinc/36/04/78/840360478.db2.gz KFPHMNXCNLSHRI-BRWVUGGUSA-N 2 1 350.463 0.822 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497418 844531051 /nfs/dbraw/zinc/53/10/51/844531051.db2.gz RXVKBIAHEDAENV-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497418 844531053 /nfs/dbraw/zinc/53/10/53/844531053.db2.gz RXVKBIAHEDAENV-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497418 844531055 /nfs/dbraw/zinc/53/10/55/844531055.db2.gz RXVKBIAHEDAENV-ARFHVFGLSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082447677 840415483 /nfs/dbraw/zinc/41/54/83/840415483.db2.gz JRMIUPSSEMKSLL-BRWVUGGUSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082544929 840457478 /nfs/dbraw/zinc/45/74/78/840457478.db2.gz YEBBOGCAFAYEES-OAGGEKHMSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082562099 840466566 /nfs/dbraw/zinc/46/65/66/840466566.db2.gz NRKUHBXHZJJRIC-BFYDXBDKSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514305 844546051 /nfs/dbraw/zinc/54/60/51/844546051.db2.gz SZRLLVOCLRBJTN-OWCLPIDISA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514305 844546058 /nfs/dbraw/zinc/54/60/58/844546058.db2.gz SZRLLVOCLRBJTN-OWCLPIDISA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514305 844546066 /nfs/dbraw/zinc/54/60/66/844546066.db2.gz SZRLLVOCLRBJTN-OWCLPIDISA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082608359 840491325 /nfs/dbraw/zinc/49/13/25/840491325.db2.gz SZPICMZYGJLJKQ-FVQBIDKESA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514304 844545808 /nfs/dbraw/zinc/54/58/08/844545808.db2.gz SZRLLVOCLRBJTN-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514304 844545814 /nfs/dbraw/zinc/54/58/14/844545814.db2.gz SZRLLVOCLRBJTN-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514304 844545818 /nfs/dbraw/zinc/54/58/18/844545818.db2.gz SZRLLVOCLRBJTN-BZUAXINKSA-N 2 1 351.495 0.038 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1nccs1 ZINC001082653418 840512954 /nfs/dbraw/zinc/51/29/54/840512954.db2.gz JXJNMDSQGJUFKQ-PGJZFTLKSA-N 2 1 362.499 0.943 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102524991 844552728 /nfs/dbraw/zinc/55/27/28/844552728.db2.gz HDIZIHRTFOAGDB-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102524991 844552732 /nfs/dbraw/zinc/55/27/32/844552732.db2.gz HDIZIHRTFOAGDB-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102524991 844552736 /nfs/dbraw/zinc/55/27/36/844552736.db2.gz HDIZIHRTFOAGDB-BRWVUGGUSA-N 2 1 359.511 0.036 20 0 FCADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082828947 840577382 /nfs/dbraw/zinc/57/73/82/840577382.db2.gz TWXLBIQKYZHPLM-TZMCWYRMSA-N 2 1 353.492 0.585 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524929 844553833 /nfs/dbraw/zinc/55/38/33/844553833.db2.gz DNJDHZWNHQFJMA-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524929 844553838 /nfs/dbraw/zinc/55/38/38/844553838.db2.gz DNJDHZWNHQFJMA-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001102524929 844553843 /nfs/dbraw/zinc/55/38/43/844553843.db2.gz DNJDHZWNHQFJMA-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@@H]32)CC1 ZINC001083182959 840779923 /nfs/dbraw/zinc/77/99/23/840779923.db2.gz GIYQMLMLHRGLHB-FGTMMUONSA-N 2 1 351.491 0.809 20 0 FCADMP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579166 844572950 /nfs/dbraw/zinc/57/29/50/844572950.db2.gz LFDRWEFPWZAGAA-HZPDHXFCSA-N 2 1 359.536 0.591 20 0 FCADMP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@@H]32)CC1 ZINC001083182816 840780319 /nfs/dbraw/zinc/78/03/19/840780319.db2.gz YSXKYAHXOWLFBX-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235271 840819466 /nfs/dbraw/zinc/81/94/66/840819466.db2.gz VPSKOEPBTMTBFT-BHYGNILZSA-N 2 1 357.470 0.757 20 0 FCADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC001083275214 840856162 /nfs/dbraw/zinc/85/61/62/840856162.db2.gz SUWNLTOXHOWXJJ-FGTMMUONSA-N 2 1 351.491 0.953 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083276037 840858574 /nfs/dbraw/zinc/85/85/74/840858574.db2.gz JPDICSIXUQDWTG-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083276037 840858587 /nfs/dbraw/zinc/85/85/87/840858587.db2.gz JPDICSIXUQDWTG-BPQIPLTHSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599165 844588576 /nfs/dbraw/zinc/58/85/76/844588576.db2.gz RVBRTVKCJBKTRW-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385145 840956068 /nfs/dbraw/zinc/95/60/68/840956068.db2.gz FIRKACRGKGFUIF-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385145 840956072 /nfs/dbraw/zinc/95/60/72/840956072.db2.gz FIRKACRGKGFUIF-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385145 840956076 /nfs/dbraw/zinc/95/60/76/840956076.db2.gz FIRKACRGKGFUIF-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@@H]2O)C1 ZINC001083385145 840956083 /nfs/dbraw/zinc/95/60/83/840956083.db2.gz FIRKACRGKGFUIF-IXDOHACOSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083462867 841032776 /nfs/dbraw/zinc/03/27/76/841032776.db2.gz DJFTWGNLMLUQGL-BBWFWOEESA-N 2 1 353.507 0.981 20 0 FCADMP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001083462867 841032780 /nfs/dbraw/zinc/03/27/80/841032780.db2.gz DJFTWGNLMLUQGL-BBWFWOEESA-N 2 1 353.507 0.981 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)s1 ZINC001083472939 841048191 /nfs/dbraw/zinc/04/81/91/841048191.db2.gz YGPFMTCYGJJQCK-NGFQHRJXSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)s1 ZINC001083472939 841048204 /nfs/dbraw/zinc/04/82/04/841048204.db2.gz YGPFMTCYGJJQCK-NGFQHRJXSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)s1 ZINC001083472939 841048223 /nfs/dbraw/zinc/04/82/23/841048223.db2.gz YGPFMTCYGJJQCK-NGFQHRJXSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)s1 ZINC001083472939 841048235 /nfs/dbraw/zinc/04/82/35/841048235.db2.gz YGPFMTCYGJJQCK-NGFQHRJXSA-N 2 1 352.504 0.761 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083523347 841120791 /nfs/dbraw/zinc/12/07/91/841120791.db2.gz ZPRXWSIMNPIUAZ-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083523347 841120797 /nfs/dbraw/zinc/12/07/97/841120797.db2.gz ZPRXWSIMNPIUAZ-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[NH+](CC2CCC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001083523347 841120803 /nfs/dbraw/zinc/12/08/03/841120803.db2.gz ZPRXWSIMNPIUAZ-KURKYZTESA-N 2 1 351.491 0.591 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601589 841220938 /nfs/dbraw/zinc/22/09/38/841220938.db2.gz CORBAFRWSOJHOH-BBWFWOEESA-N 2 1 351.491 0.735 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602164 841221520 /nfs/dbraw/zinc/22/15/20/841221520.db2.gz HQGQLUHMAQCKRY-SJORKVTESA-N 2 1 351.491 0.593 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723583 841358577 /nfs/dbraw/zinc/35/85/77/841358577.db2.gz QNNINYMOVQHTQU-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723583 841358593 /nfs/dbraw/zinc/35/85/93/841358593.db2.gz QNNINYMOVQHTQU-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723583 841358601 /nfs/dbraw/zinc/35/86/01/841358601.db2.gz QNNINYMOVQHTQU-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2O)C1 ZINC001083723583 841358613 /nfs/dbraw/zinc/35/86/13/841358613.db2.gz QNNINYMOVQHTQU-FGTMMUONSA-N 2 1 353.507 0.837 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC[C@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781552 841428477 /nfs/dbraw/zinc/42/84/77/841428477.db2.gz LVTHHCDBTGIVNO-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781552 841428483 /nfs/dbraw/zinc/42/84/83/841428483.db2.gz LVTHHCDBTGIVNO-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)C1 ZINC001083781552 841428488 /nfs/dbraw/zinc/42/84/88/841428488.db2.gz LVTHHCDBTGIVNO-ZACQAIPSSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781858 841430780 /nfs/dbraw/zinc/43/07/80/841430780.db2.gz XMWYDVVLIKJWQC-CFVMTHIKSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781858 841430789 /nfs/dbraw/zinc/43/07/89/841430789.db2.gz XMWYDVVLIKJWQC-CFVMTHIKSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781858 841430793 /nfs/dbraw/zinc/43/07/93/841430793.db2.gz XMWYDVVLIKJWQC-CFVMTHIKSA-N 2 1 352.504 0.497 20 0 FCADMP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781858 841430800 /nfs/dbraw/zinc/43/08/00/841430800.db2.gz XMWYDVVLIKJWQC-CFVMTHIKSA-N 2 1 352.504 0.497 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083826115 841467035 /nfs/dbraw/zinc/46/70/35/841467035.db2.gz ANJCLZMKSRAYQH-OAGGEKHMSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083826115 841467041 /nfs/dbraw/zinc/46/70/41/841467041.db2.gz ANJCLZMKSRAYQH-OAGGEKHMSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083908410 841555610 /nfs/dbraw/zinc/55/56/10/841555610.db2.gz BIXZQOFKGXMMKF-KSZLIROESA-N 2 1 353.507 0.837 20 0 FCADMP COCCOCN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833489 861218584 /nfs/dbraw/zinc/21/85/84/861218584.db2.gz IZCANEGEIJJHDH-UHFFFAOYSA-N 2 1 355.479 0.252 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056696 841671494 /nfs/dbraw/zinc/67/14/94/841671494.db2.gz KHHLXAISXHBBCK-IMJJTQAJSA-N 2 1 351.422 0.318 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056696 841671498 /nfs/dbraw/zinc/67/14/98/841671498.db2.gz KHHLXAISXHBBCK-IMJJTQAJSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056696 841671502 /nfs/dbraw/zinc/67/15/02/841671502.db2.gz KHHLXAISXHBBCK-IMJJTQAJSA-N 2 1 351.422 0.318 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001084056696 841671508 /nfs/dbraw/zinc/67/15/08/841671508.db2.gz KHHLXAISXHBBCK-IMJJTQAJSA-N 2 1 351.422 0.318 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275879869 861243531 /nfs/dbraw/zinc/24/35/31/861243531.db2.gz QMFPPDKCAOONOO-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275879869 861243577 /nfs/dbraw/zinc/24/35/77/861243577.db2.gz QMFPPDKCAOONOO-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP COCCCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275879869 861243596 /nfs/dbraw/zinc/24/35/96/861243596.db2.gz QMFPPDKCAOONOO-MJGOQNOKSA-N 2 1 353.507 0.916 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084668454 841878049 /nfs/dbraw/zinc/87/80/49/841878049.db2.gz WIYSIJQTCRTVES-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001084668454 841878054 /nfs/dbraw/zinc/87/80/54/841878054.db2.gz WIYSIJQTCRTVES-QLFBSQMISA-N 2 1 350.463 0.008 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100939 842020067 /nfs/dbraw/zinc/02/00/67/842020067.db2.gz MEIQGPHTZBRUSP-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100939 842020075 /nfs/dbraw/zinc/02/00/75/842020075.db2.gz MEIQGPHTZBRUSP-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100939 842020086 /nfs/dbraw/zinc/02/00/86/842020086.db2.gz MEIQGPHTZBRUSP-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H]2C1 ZINC001085100939 842020101 /nfs/dbraw/zinc/02/01/01/842020101.db2.gz MEIQGPHTZBRUSP-IKGGRYGDSA-N 2 1 350.507 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085393838 842092070 /nfs/dbraw/zinc/09/20/70/842092070.db2.gz MLDJMPZLKDKYRK-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601612 842108550 /nfs/dbraw/zinc/10/85/50/842108550.db2.gz BQMZQCPAGZUXIO-KSZLIROESA-N 2 1 353.507 0.912 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001085603697 842108580 /nfs/dbraw/zinc/10/85/80/842108580.db2.gz LWNZFCUXWHWLJO-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001085603697 842108587 /nfs/dbraw/zinc/10/85/87/842108587.db2.gz LWNZFCUXWHWLJO-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001085603697 842108590 /nfs/dbraw/zinc/10/85/90/842108590.db2.gz LWNZFCUXWHWLJO-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001085603697 842108596 /nfs/dbraw/zinc/10/85/96/842108596.db2.gz LWNZFCUXWHWLJO-OWCLPIDISA-N 2 1 351.495 0.275 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001086658897 842143963 /nfs/dbraw/zinc/14/39/63/842143963.db2.gz DIAWIIHTKRCBHB-MJBXVCDLSA-N 2 1 350.467 0.604 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001086658897 842143970 /nfs/dbraw/zinc/14/39/70/842143970.db2.gz DIAWIIHTKRCBHB-MJBXVCDLSA-N 2 1 350.467 0.604 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087035049 842232493 /nfs/dbraw/zinc/23/24/93/842232493.db2.gz JPRQSNLWEWFZRE-RBSFLKMASA-N 2 1 350.467 0.160 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083548 842276053 /nfs/dbraw/zinc/27/60/53/842276053.db2.gz KGBFQSSJKCXMGP-IIAWOOMASA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087083548 842276064 /nfs/dbraw/zinc/27/60/64/842276064.db2.gz KGBFQSSJKCXMGP-IIAWOOMASA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087083409 842276454 /nfs/dbraw/zinc/27/64/54/842276454.db2.gz CKKZHJBRWFKJPJ-RRFJBIMHSA-N 2 1 367.519 0.976 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087100856 842289166 /nfs/dbraw/zinc/28/91/66/842289166.db2.gz IGBOWTPVAIXGIO-KZNAEPCWSA-N 2 1 353.507 0.818 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCN1CCNC1=O ZINC001087625780 842381655 /nfs/dbraw/zinc/38/16/55/842381655.db2.gz UXELFTHYGDIUIQ-ARFHVFGLSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCN1CCNC1=O ZINC001087625780 842381667 /nfs/dbraw/zinc/38/16/67/842381667.db2.gz UXELFTHYGDIUIQ-ARFHVFGLSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCN1CCNC1=O ZINC001087625780 842381683 /nfs/dbraw/zinc/38/16/83/842381683.db2.gz UXELFTHYGDIUIQ-ARFHVFGLSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCN1CCNC1=O ZINC001087625780 842381692 /nfs/dbraw/zinc/38/16/92/842381692.db2.gz UXELFTHYGDIUIQ-ARFHVFGLSA-N 2 1 351.495 0.465 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087749955 842422112 /nfs/dbraw/zinc/42/21/12/842422112.db2.gz JYLBCOQIEQRYCF-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087799215 842434239 /nfs/dbraw/zinc/43/42/39/842434239.db2.gz IRNQYJXCPQYEAK-OWCLPIDISA-N 2 1 369.531 0.486 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087799215 842434242 /nfs/dbraw/zinc/43/42/42/842434242.db2.gz IRNQYJXCPQYEAK-OWCLPIDISA-N 2 1 369.531 0.486 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087827649 842441186 /nfs/dbraw/zinc/44/11/86/842441186.db2.gz DGBJSPNSTWELBC-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087827649 842441192 /nfs/dbraw/zinc/44/11/92/842441192.db2.gz DGBJSPNSTWELBC-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087827649 842441201 /nfs/dbraw/zinc/44/12/01/842441201.db2.gz DGBJSPNSTWELBC-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999328 842496222 /nfs/dbraw/zinc/49/62/22/842496222.db2.gz GCJUGUILFSTPMJ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999328 842496226 /nfs/dbraw/zinc/49/62/26/842496226.db2.gz GCJUGUILFSTPMJ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999328 842496229 /nfs/dbraw/zinc/49/62/29/842496229.db2.gz GCJUGUILFSTPMJ-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001088021125 842507448 /nfs/dbraw/zinc/50/74/48/842507448.db2.gz UZQOYGDRHBSWMI-CABCVRRESA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088021125 842507454 /nfs/dbraw/zinc/50/74/54/842507454.db2.gz UZQOYGDRHBSWMI-CABCVRRESA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088021125 842507461 /nfs/dbraw/zinc/50/74/61/842507461.db2.gz UZQOYGDRHBSWMI-CABCVRRESA-N 2 1 350.507 0.905 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064570 842521801 /nfs/dbraw/zinc/52/18/01/842521801.db2.gz KXHOIQRWQBOWCV-PMPSAXMXSA-N 2 1 350.507 0.905 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130203 842538545 /nfs/dbraw/zinc/53/85/45/842538545.db2.gz ATNXYRJZUCXJHG-SJORKVTESA-N 2 1 350.507 0.587 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150845 842545340 /nfs/dbraw/zinc/54/53/40/842545340.db2.gz ZHFYDJIYZNMTHQ-IKGGRYGDSA-N 2 1 350.507 0.763 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211966 842562680 /nfs/dbraw/zinc/56/26/80/842562680.db2.gz IIPLVONKUXKJIS-IKGGRYGDSA-N 2 1 350.507 0.907 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)CC1 ZINC001088952693 842726221 /nfs/dbraw/zinc/72/62/21/842726221.db2.gz DZJHZHWFUHFWEC-PBHICJAKSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)CC1 ZINC001088952693 842726224 /nfs/dbraw/zinc/72/62/24/842726224.db2.gz DZJHZHWFUHFWEC-PBHICJAKSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088983519 842736326 /nfs/dbraw/zinc/73/63/26/842736326.db2.gz AWZLDTQDCGEETD-PMPSAXMXSA-N 2 1 369.531 0.486 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088983519 842736331 /nfs/dbraw/zinc/73/63/31/842736331.db2.gz AWZLDTQDCGEETD-PMPSAXMXSA-N 2 1 369.531 0.486 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090493649 842833489 /nfs/dbraw/zinc/83/34/89/842833489.db2.gz WJBMTQHJSAROAX-RBSFLKMASA-N 2 1 353.442 0.439 20 0 FCADMP COCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091784291 843093301 /nfs/dbraw/zinc/09/33/01/843093301.db2.gz VJPCQNSSPCZDAR-APWZRJJASA-N 2 1 353.507 0.772 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001091818583 843104108 /nfs/dbraw/zinc/10/41/08/843104108.db2.gz GWMKALPEDVTJNR-WBVHZDCISA-N 2 1 369.531 0.440 20 0 FCADMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001091818583 843104115 /nfs/dbraw/zinc/10/41/15/843104115.db2.gz GWMKALPEDVTJNR-WBVHZDCISA-N 2 1 369.531 0.440 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091985570 843134645 /nfs/dbraw/zinc/13/46/45/843134645.db2.gz ZCLVIMDACFECHI-INMHGKMJSA-N 2 1 359.536 0.398 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091985570 843134649 /nfs/dbraw/zinc/13/46/49/843134649.db2.gz ZCLVIMDACFECHI-INMHGKMJSA-N 2 1 359.536 0.398 20 0 FCADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001092022496 843143220 /nfs/dbraw/zinc/14/32/20/843143220.db2.gz WRCSDSBVFKUHDE-VKJFTORMSA-N 2 1 351.495 0.132 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522521 843227258 /nfs/dbraw/zinc/22/72/58/843227258.db2.gz PYNQGIOJTJBKRU-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522521 843227270 /nfs/dbraw/zinc/22/72/70/843227270.db2.gz PYNQGIOJTJBKRU-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092522521 843227282 /nfs/dbraw/zinc/22/72/82/843227282.db2.gz PYNQGIOJTJBKRU-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP Cc1noc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092522521 843227291 /nfs/dbraw/zinc/22/72/91/843227291.db2.gz PYNQGIOJTJBKRU-SRCQZFHVSA-N 2 1 350.463 0.806 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001092616216 843253718 /nfs/dbraw/zinc/25/37/18/843253718.db2.gz XJPSFQCWPQMGKT-DDBAPUKQSA-N 2 1 353.507 0.410 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092725528 843285571 /nfs/dbraw/zinc/28/55/71/843285571.db2.gz POEYVOBXLDEUQO-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092725528 843285582 /nfs/dbraw/zinc/28/55/82/843285582.db2.gz POEYVOBXLDEUQO-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092725528 843285593 /nfs/dbraw/zinc/28/55/93/843285593.db2.gz POEYVOBXLDEUQO-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)on1 ZINC001092725528 843285604 /nfs/dbraw/zinc/28/56/04/843285604.db2.gz POEYVOBXLDEUQO-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734806 843287876 /nfs/dbraw/zinc/28/78/76/843287876.db2.gz IQOSQUVQTOMKGS-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734806 843287878 /nfs/dbraw/zinc/28/78/78/843287878.db2.gz IQOSQUVQTOMKGS-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734806 843287889 /nfs/dbraw/zinc/28/78/89/843287889.db2.gz IQOSQUVQTOMKGS-INMHGKMJSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907220 843336038 /nfs/dbraw/zinc/33/60/38/843336038.db2.gz YSGRDOLUUVQFGJ-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907220 843336047 /nfs/dbraw/zinc/33/60/47/843336047.db2.gz YSGRDOLUUVQFGJ-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907220 843336057 /nfs/dbraw/zinc/33/60/57/843336057.db2.gz YSGRDOLUUVQFGJ-BRWVUGGUSA-N 2 1 352.523 0.881 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001093481423 843442472 /nfs/dbraw/zinc/44/24/72/843442472.db2.gz WRRMEWIHTGJITM-AHCXZYCDSA-N 2 1 350.463 0.150 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690729 843455909 /nfs/dbraw/zinc/45/59/09/843455909.db2.gz CZDCMOCZHYZJSK-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093690729 843455913 /nfs/dbraw/zinc/45/59/13/843455913.db2.gz CZDCMOCZHYZJSK-BPLDGKMQSA-N 2 1 352.504 0.966 20 0 FCADMP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857716 843479858 /nfs/dbraw/zinc/47/98/58/843479858.db2.gz TYLXKKQPSFDGNZ-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001093857716 843479863 /nfs/dbraw/zinc/47/98/63/843479863.db2.gz TYLXKKQPSFDGNZ-DNNBLBMLSA-N 2 1 350.463 0.886 20 0 FCADMP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094110288 843516484 /nfs/dbraw/zinc/51/64/84/843516484.db2.gz FQTGXLUUAVNYGR-GDBMZVCRSA-N 2 1 350.463 0.889 20 0 FCADMP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496649 843558657 /nfs/dbraw/zinc/55/86/57/843558657.db2.gz DUHPXWPUNHFDOJ-YIOZNXECSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496649 843558665 /nfs/dbraw/zinc/55/86/65/843558665.db2.gz DUHPXWPUNHFDOJ-YIOZNXECSA-N 2 1 350.507 0.824 20 0 FCADMP CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496649 843558670 /nfs/dbraw/zinc/55/86/70/843558670.db2.gz DUHPXWPUNHFDOJ-YIOZNXECSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001095267828 843713410 /nfs/dbraw/zinc/71/34/10/843713410.db2.gz JVLFYCPMCNQFBJ-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCOCC2)C1 ZINC001095267828 843713418 /nfs/dbraw/zinc/71/34/18/843713418.db2.gz JVLFYCPMCNQFBJ-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCOCC2)C1 ZINC001095267828 843713428 /nfs/dbraw/zinc/71/34/28/843713428.db2.gz JVLFYCPMCNQFBJ-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCOCC2)C1 ZINC001095267828 843713436 /nfs/dbraw/zinc/71/34/36/843713436.db2.gz JVLFYCPMCNQFBJ-OWSLCNJRSA-N 2 1 351.491 0.855 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001095531789 843736298 /nfs/dbraw/zinc/73/62/98/843736298.db2.gz SBPFGLTVEPBBMY-VSZNYVQBSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001095531789 843736302 /nfs/dbraw/zinc/73/63/02/843736302.db2.gz SBPFGLTVEPBBMY-VSZNYVQBSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001095531789 843736306 /nfs/dbraw/zinc/73/63/06/843736306.db2.gz SBPFGLTVEPBBMY-VSZNYVQBSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001095531788 843736394 /nfs/dbraw/zinc/73/63/94/843736394.db2.gz SBPFGLTVEPBBMY-OWSLCNJRSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001095531788 843736410 /nfs/dbraw/zinc/73/64/10/843736410.db2.gz SBPFGLTVEPBBMY-OWSLCNJRSA-N 2 1 351.491 0.734 20 0 FCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001095531788 843736422 /nfs/dbraw/zinc/73/64/22/843736422.db2.gz SBPFGLTVEPBBMY-OWSLCNJRSA-N 2 1 351.491 0.734 20 0 FCADMP C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404465 843914032 /nfs/dbraw/zinc/91/40/32/843914032.db2.gz NCUUOALTYSDXTD-ZMSDIMECSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404465 843914035 /nfs/dbraw/zinc/91/40/35/843914035.db2.gz NCUUOALTYSDXTD-ZMSDIMECSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@H](F)CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404465 843914040 /nfs/dbraw/zinc/91/40/40/843914040.db2.gz NCUUOALTYSDXTD-ZMSDIMECSA-N 2 1 359.486 0.739 20 0 FCADMP C[C@H](F)CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404465 843914041 /nfs/dbraw/zinc/91/40/41/843914041.db2.gz NCUUOALTYSDXTD-ZMSDIMECSA-N 2 1 359.486 0.739 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCO)CC3)C2)CC[N@H+]1C ZINC001098603711 843927782 /nfs/dbraw/zinc/92/77/82/843927782.db2.gz VNJFHUJASKUULQ-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994324 844681666 /nfs/dbraw/zinc/68/16/66/844681666.db2.gz YKKNMEBCIJHZEE-OIISXLGYSA-N 2 1 350.507 0.539 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994126 844681972 /nfs/dbraw/zinc/68/19/72/844681972.db2.gz RLCGIJAEJGCXED-OIISXLGYSA-N 2 1 371.547 0.447 20 0 FCADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1sccc1C[NH+](C)C ZINC001103049763 844689687 /nfs/dbraw/zinc/68/96/87/844689687.db2.gz DEZRMDWZVGXKAH-CHWSQXEVSA-N 2 1 352.504 0.983 20 0 FCADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)[NH+](C)C ZINC001103140297 844706550 /nfs/dbraw/zinc/70/65/50/844706550.db2.gz XGDADOHWURZXJL-DJIMGWMZSA-N 2 1 352.523 0.927 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373357 844745040 /nfs/dbraw/zinc/74/50/40/844745040.db2.gz NWTILRUTJGPUTC-ZIAGYGMSSA-N 2 1 350.463 0.775 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380189 844745954 /nfs/dbraw/zinc/74/59/54/844745954.db2.gz IUSQMPUGOPRUOO-NVXWUHKLSA-N 2 1 352.523 0.929 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398456 844750625 /nfs/dbraw/zinc/75/06/25/844750625.db2.gz SVNKHQFCJMVAKD-HUUCEWRRSA-N 2 1 351.499 0.609 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398456 844750631 /nfs/dbraw/zinc/75/06/31/844750631.db2.gz SVNKHQFCJMVAKD-HUUCEWRRSA-N 2 1 351.499 0.609 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398217 844750986 /nfs/dbraw/zinc/75/09/86/844750986.db2.gz IMXWVMLQIVBXMJ-HZPDHXFCSA-N 2 1 356.511 0.165 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398521 844751031 /nfs/dbraw/zinc/75/10/31/844751031.db2.gz WKNUDZKJOMNIJJ-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398521 844751036 /nfs/dbraw/zinc/75/10/36/844751036.db2.gz WKNUDZKJOMNIJJ-ZIAGYGMSSA-N 2 1 351.451 0.639 20 0 FCADMP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395881 844751177 /nfs/dbraw/zinc/75/11/77/844751177.db2.gz QWMDCCKBKMQHHF-GDBMZVCRSA-N 2 1 359.536 0.447 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103407733 844752331 /nfs/dbraw/zinc/75/23/31/844752331.db2.gz RBVYZUNKAKIXQK-BZUAXINKSA-N 2 1 361.552 0.691 20 0 FCADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)[NH+](C)C ZINC001103407874 844752856 /nfs/dbraw/zinc/75/28/56/844752856.db2.gz YMCBEZUGQWEXSG-JFIYKMOQSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584254 844784954 /nfs/dbraw/zinc/78/49/54/844784954.db2.gz JNPOWHQPAIIYRU-RBSFLKMASA-N 2 1 354.495 0.045 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103644456 844793619 /nfs/dbraw/zinc/79/36/19/844793619.db2.gz AJZZPFMDWSQHPT-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103644456 844793626 /nfs/dbraw/zinc/79/36/26/844793626.db2.gz AJZZPFMDWSQHPT-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103644456 844793633 /nfs/dbraw/zinc/79/36/33/844793633.db2.gz AJZZPFMDWSQHPT-BZUAXINKSA-N 2 1 350.507 0.681 20 0 FCADMP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)o1 ZINC001103641743 844793653 /nfs/dbraw/zinc/79/36/53/844793653.db2.gz BBOHJDSBBFITGD-UKRRQHHQSA-N 2 1 353.467 0.530 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641773 844793883 /nfs/dbraw/zinc/79/38/83/844793883.db2.gz CLERZELEDFUYOO-IAGOWNOFSA-N 2 1 359.511 0.302 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1COC(C)(C)O1)C2 ZINC001276617199 861502666 /nfs/dbraw/zinc/50/26/66/861502666.db2.gz HZDODYZSGCYHMC-QAPCUYQASA-N 2 1 355.479 0.250 20 0 FCADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3COC(C)(C)O3)C2)C1=O ZINC001276617964 861501907 /nfs/dbraw/zinc/50/19/07/861501907.db2.gz NXRUBHWDKNOQIB-KDOFPFPSSA-N 2 1 353.463 0.541 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034044 844856524 /nfs/dbraw/zinc/85/65/24/844856524.db2.gz QKWIJBWSTWPMLR-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034044 844856529 /nfs/dbraw/zinc/85/65/29/844856529.db2.gz QKWIJBWSTWPMLR-ZACQAIPSSA-N 2 1 357.495 0.054 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001104215022 844878459 /nfs/dbraw/zinc/87/84/59/844878459.db2.gz HLQXJFLILLDYIS-ZJPYXAASSA-N 2 1 355.523 0.800 20 0 FCADMP COCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001104621184 844926931 /nfs/dbraw/zinc/92/69/31/844926931.db2.gz BOJRJNHQKBJYCV-ZIAGYGMSSA-N 2 1 353.467 0.742 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104873805 844954201 /nfs/dbraw/zinc/95/42/01/844954201.db2.gz GHQCGDBNWHPEJD-ZIAGYGMSSA-N 2 1 352.483 0.024 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001105013889 844968888 /nfs/dbraw/zinc/96/88/88/844968888.db2.gz ZJXSRXNOEHWFAA-UKRRQHHQSA-N 2 1 356.492 0.310 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001105064219 844977104 /nfs/dbraw/zinc/97/71/04/844977104.db2.gz CZRBFSIYYMMIAA-QLFBSQMISA-N 2 1 351.499 0.686 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105669045 845016238 /nfs/dbraw/zinc/01/62/38/845016238.db2.gz OXJNYOAQWJIYFZ-PSBWJHGTSA-N 2 1 355.523 0.677 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC001105974312 845071820 /nfs/dbraw/zinc/07/18/20/845071820.db2.gz ULOVFDQBGHRKTF-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC001105974312 845071821 /nfs/dbraw/zinc/07/18/21/845071821.db2.gz ULOVFDQBGHRKTF-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C2)CC[N@H+]1C ZINC001106151453 845115322 /nfs/dbraw/zinc/11/53/22/845115322.db2.gz SZWNYSXGBVKXLB-WCXIOVBPSA-N 2 1 352.523 0.879 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CCOCCO ZINC001106249564 845143401 /nfs/dbraw/zinc/14/34/01/845143401.db2.gz KVVGUXXCLCZMBQ-OAGGEKHMSA-N 2 1 350.463 0.454 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106323053 845153913 /nfs/dbraw/zinc/15/39/13/845153913.db2.gz WLYNGRAHRNDCTL-ZACQAIPSSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106339954 845159044 /nfs/dbraw/zinc/15/90/44/845159044.db2.gz GYGMOMVLBAWPLL-MGPQQGTHSA-N 2 1 352.479 0.206 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106662892 845217469 /nfs/dbraw/zinc/21/74/69/845217469.db2.gz IUMXCIONLVAZME-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106665319 845218416 /nfs/dbraw/zinc/21/84/16/845218416.db2.gz SEDDJCFVTSWMCH-IXDOHACOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106668217 845220199 /nfs/dbraw/zinc/22/01/99/845220199.db2.gz IGNVKCNICZQCPW-RBSFLKMASA-N 2 1 350.463 0.949 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001106672238 845222098 /nfs/dbraw/zinc/22/20/98/845222098.db2.gz MBMVBCYCKRMGRX-HUUCEWRRSA-N 2 1 350.511 0.977 20 0 FCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715807 845231489 /nfs/dbraw/zinc/23/14/89/845231489.db2.gz KYLDJEPQAIZXBT-OAGGEKHMSA-N 2 1 352.479 0.698 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001106767838 845248260 /nfs/dbraw/zinc/24/82/60/845248260.db2.gz VXNJFXCLWXMLRU-FGTMMUONSA-N 2 1 353.507 0.819 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106839301 845263941 /nfs/dbraw/zinc/26/39/41/845263941.db2.gz BUHSCOCSSABXJN-BZUAXINKSA-N 2 1 361.552 0.693 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106874848 845276477 /nfs/dbraw/zinc/27/64/77/845276477.db2.gz VJHMTMXPKSPELS-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106910921 845284540 /nfs/dbraw/zinc/28/45/40/845284540.db2.gz VRDORIMGBPQGQO-BZUAXINKSA-N 2 1 359.536 0.447 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106929435 845288367 /nfs/dbraw/zinc/28/83/67/845288367.db2.gz KFEYDNQRAMXJSG-MDZRGWNJSA-N 2 1 350.507 0.635 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106982668 845300469 /nfs/dbraw/zinc/30/04/69/845300469.db2.gz NNTVREJYCWFNKI-IXDOHACOSA-N 2 1 350.507 0.635 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)C1 ZINC001107012064 845310750 /nfs/dbraw/zinc/31/07/50/845310750.db2.gz JLPOUDCDTNJDIQ-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)C1 ZINC001107012064 845310756 /nfs/dbraw/zinc/31/07/56/845310756.db2.gz JLPOUDCDTNJDIQ-KBAYOESNSA-N 2 1 353.507 0.818 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328957 845353713 /nfs/dbraw/zinc/35/37/13/845353713.db2.gz CNXNCINMIVEEEK-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328957 845353723 /nfs/dbraw/zinc/35/37/23/845353723.db2.gz CNXNCINMIVEEEK-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328957 845353734 /nfs/dbraw/zinc/35/37/34/845353734.db2.gz CNXNCINMIVEEEK-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438705 845373270 /nfs/dbraw/zinc/37/32/70/845373270.db2.gz HJPGHHSFZVLELX-SZVBFZGTSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107451178 845375884 /nfs/dbraw/zinc/37/58/84/845375884.db2.gz QPKNQFPQCHNFCV-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107451178 845375890 /nfs/dbraw/zinc/37/58/90/845375890.db2.gz QPKNQFPQCHNFCV-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107451178 845375896 /nfs/dbraw/zinc/37/58/96/845375896.db2.gz QPKNQFPQCHNFCV-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472897 845382598 /nfs/dbraw/zinc/38/25/98/845382598.db2.gz PDBFKXVTCHGJIG-LZLYRXPVSA-N 2 1 350.463 0.560 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472897 845382608 /nfs/dbraw/zinc/38/26/08/845382608.db2.gz PDBFKXVTCHGJIG-LZLYRXPVSA-N 2 1 350.463 0.560 20 0 FCADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2)[NH+](C)C ZINC001107553966 845397167 /nfs/dbraw/zinc/39/71/67/845397167.db2.gz RZAXCNKOVROBIR-FRQCXROJSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](COCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[NH+]1CCCC1 ZINC001107552662 845398243 /nfs/dbraw/zinc/39/82/43/845398243.db2.gz QLGZOJZHJKKOOV-ZHALLVOQSA-N 2 1 353.507 0.840 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001109427296 845650195 /nfs/dbraw/zinc/65/01/95/845650195.db2.gz XZOWNRXBUXALHE-CVYDXHPNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[NH+](C)C ZINC001109427296 845650199 /nfs/dbraw/zinc/65/01/99/845650199.db2.gz XZOWNRXBUXALHE-CVYDXHPNSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001109688544 845714001 /nfs/dbraw/zinc/71/40/01/845714001.db2.gz VDXFLQRIFPNAMH-FXUDXRNXSA-N 2 1 351.495 0.319 20 0 FCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+](C)C ZINC001109688544 845714007 /nfs/dbraw/zinc/71/40/07/845714007.db2.gz VDXFLQRIFPNAMH-FXUDXRNXSA-N 2 1 351.495 0.319 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001110126403 845801001 /nfs/dbraw/zinc/80/10/01/845801001.db2.gz SUEABPQTRFNQPM-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001110126403 845801007 /nfs/dbraw/zinc/80/10/07/845801007.db2.gz SUEABPQTRFNQPM-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)C1 ZINC001110126403 845801013 /nfs/dbraw/zinc/80/10/13/845801013.db2.gz SUEABPQTRFNQPM-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)C1 ZINC001110126403 845801017 /nfs/dbraw/zinc/80/10/17/845801017.db2.gz SUEABPQTRFNQPM-VSZNYVQBSA-N 2 1 351.491 0.855 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001110160549 845809225 /nfs/dbraw/zinc/80/92/25/845809225.db2.gz UEELQYUWTFCQMD-PMPSAXMXSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)N(C)C ZINC001110160549 845809227 /nfs/dbraw/zinc/80/92/27/845809227.db2.gz UEELQYUWTFCQMD-PMPSAXMXSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001110160549 845809231 /nfs/dbraw/zinc/80/92/31/845809231.db2.gz UEELQYUWTFCQMD-PMPSAXMXSA-N 2 1 374.551 0.330 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)N(C)C ZINC001110160549 845809233 /nfs/dbraw/zinc/80/92/33/845809233.db2.gz UEELQYUWTFCQMD-PMPSAXMXSA-N 2 1 374.551 0.330 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666322 845944539 /nfs/dbraw/zinc/94/45/39/845944539.db2.gz HJINWWBETARJDN-CBZIJGRNSA-N 2 1 350.507 0.917 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666322 845944547 /nfs/dbraw/zinc/94/45/47/845944547.db2.gz HJINWWBETARJDN-CBZIJGRNSA-N 2 1 350.507 0.917 20 0 FCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110682928 845946265 /nfs/dbraw/zinc/94/62/65/845946265.db2.gz IKTLHAKDNHRBNV-JJXSEGSLSA-N 2 1 372.535 0.132 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110682928 845946272 /nfs/dbraw/zinc/94/62/72/845946272.db2.gz IKTLHAKDNHRBNV-JJXSEGSLSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110682928 845946281 /nfs/dbraw/zinc/94/62/81/845946281.db2.gz IKTLHAKDNHRBNV-JJXSEGSLSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110682928 845946283 /nfs/dbraw/zinc/94/62/83/845946283.db2.gz IKTLHAKDNHRBNV-JJXSEGSLSA-N 2 1 372.535 0.132 20 0 FCADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1=O ZINC001276819791 861629919 /nfs/dbraw/zinc/62/99/19/861629919.db2.gz WKTPOKIRTXVVFI-KBXCAEBGSA-N 2 1 355.479 0.175 20 0 FCADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2C[C@@H](O)C(=O)OC(C)(C)C)C1=O ZINC001276820133 861631123 /nfs/dbraw/zinc/63/11/23/861631123.db2.gz YRWWFJDUFPTQFO-RDTXWAMCSA-N 2 1 355.479 0.318 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCOC2)CC1 ZINC001111197087 846060034 /nfs/dbraw/zinc/06/00/34/846060034.db2.gz HSDZPYYKAAEQBK-AHCXZYCDSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001111233946 846066264 /nfs/dbraw/zinc/06/62/64/846066264.db2.gz YOWZSYRXWUGRTC-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001111233946 846066270 /nfs/dbraw/zinc/06/62/70/846066270.db2.gz YOWZSYRXWUGRTC-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001111233946 846066278 /nfs/dbraw/zinc/06/62/78/846066278.db2.gz YOWZSYRXWUGRTC-ZACQAIPSSA-N 2 1 354.495 0.202 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111233611 846066473 /nfs/dbraw/zinc/06/64/73/846066473.db2.gz RWRLZUIRMLXOOJ-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111233611 846066478 /nfs/dbraw/zinc/06/64/78/846066478.db2.gz RWRLZUIRMLXOOJ-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111233611 846066481 /nfs/dbraw/zinc/06/64/81/846066481.db2.gz RWRLZUIRMLXOOJ-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111233611 846066484 /nfs/dbraw/zinc/06/64/84/846066484.db2.gz RWRLZUIRMLXOOJ-HZMVEIRTSA-N 2 1 371.547 0.875 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001111433056 846111020 /nfs/dbraw/zinc/11/10/20/846111020.db2.gz NKVMZISQPQWHTQ-WCXIOVBPSA-N 2 1 355.479 0.092 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOC)C1 ZINC001111433056 846111026 /nfs/dbraw/zinc/11/10/26/846111026.db2.gz NKVMZISQPQWHTQ-WCXIOVBPSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOC)C1 ZINC001111433056 846111034 /nfs/dbraw/zinc/11/10/34/846111034.db2.gz NKVMZISQPQWHTQ-WCXIOVBPSA-N 2 1 355.479 0.092 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOC)C1 ZINC001111433056 846111036 /nfs/dbraw/zinc/11/10/36/846111036.db2.gz NKVMZISQPQWHTQ-WCXIOVBPSA-N 2 1 355.479 0.092 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001111433210 846111067 /nfs/dbraw/zinc/11/10/67/846111067.db2.gz SUEABPQTRFNQPM-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CC2)C1 ZINC001111433210 846111073 /nfs/dbraw/zinc/11/10/73/846111073.db2.gz SUEABPQTRFNQPM-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)C1 ZINC001111433210 846111076 /nfs/dbraw/zinc/11/10/76/846111076.db2.gz SUEABPQTRFNQPM-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)C1 ZINC001111433210 846111081 /nfs/dbraw/zinc/11/10/81/846111081.db2.gz SUEABPQTRFNQPM-ZJPYXAASSA-N 2 1 351.491 0.855 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCOCCO)C2 ZINC001111740541 846187748 /nfs/dbraw/zinc/18/77/48/846187748.db2.gz BSVBDEWXJWCBMG-LNLFQRSKSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111740541 846187753 /nfs/dbraw/zinc/18/77/53/846187753.db2.gz BSVBDEWXJWCBMG-LNLFQRSKSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111740541 846187754 /nfs/dbraw/zinc/18/77/54/846187754.db2.gz BSVBDEWXJWCBMG-LNLFQRSKSA-N 2 1 353.507 0.839 20 0 FCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111766854 846195794 /nfs/dbraw/zinc/19/57/94/846195794.db2.gz FKZHEXJXSOBIDG-MPGHIAIKSA-N 2 1 356.486 0.773 20 0 FCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111766854 846195796 /nfs/dbraw/zinc/19/57/96/846195796.db2.gz FKZHEXJXSOBIDG-MPGHIAIKSA-N 2 1 356.486 0.773 20 0 FCADMP CC(C)[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CC[NH+](C)CC3)C2)C1 ZINC001276848884 861652409 /nfs/dbraw/zinc/65/24/09/861652409.db2.gz LCTZWAPCVYVCLU-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)[N@@H+]1CCOC[C@]2(CC(=O)N(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001276848884 861652412 /nfs/dbraw/zinc/65/24/12/861652412.db2.gz LCTZWAPCVYVCLU-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001111858233 846232610 /nfs/dbraw/zinc/23/26/10/846232610.db2.gz VFNTYFZPWRIMGN-FCEWJHQRSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001111864473 846234942 /nfs/dbraw/zinc/23/49/42/846234942.db2.gz RPEPRWOMGYMCSZ-ZOBUZTSGSA-N 2 1 359.536 0.590 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861378 846235726 /nfs/dbraw/zinc/23/57/26/846235726.db2.gz KFTBMHOXFNHTTD-YJBOKZPZSA-N 2 1 354.495 0.062 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870647 846238802 /nfs/dbraw/zinc/23/88/02/846238802.db2.gz HSAOYXATYANWMZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870647 846238810 /nfs/dbraw/zinc/23/88/10/846238810.db2.gz HSAOYXATYANWMZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870647 846238815 /nfs/dbraw/zinc/23/88/15/846238815.db2.gz HSAOYXATYANWMZ-BXWFABGCSA-N 2 1 350.507 0.920 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111908766 846257829 /nfs/dbraw/zinc/25/78/29/846257829.db2.gz QCHPVFULYOUKKP-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111908766 846257837 /nfs/dbraw/zinc/25/78/37/846257837.db2.gz QCHPVFULYOUKKP-LPHOPBHVSA-N 2 1 350.507 0.825 20 0 FCADMP CCOC(=O)C(=O)C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276868265 861657710 /nfs/dbraw/zinc/65/77/10/861657710.db2.gz IAQZMFJVMFRXOE-SFHVURJKSA-N 2 1 353.463 0.385 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111949124 846271825 /nfs/dbraw/zinc/27/18/25/846271825.db2.gz OQBQGCNMKWJCGI-FCEWJHQRSA-N 2 1 350.507 0.968 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004644 846289322 /nfs/dbraw/zinc/28/93/22/846289322.db2.gz KWFXMJFZUTXUFH-LNLFQRSKSA-N 2 1 353.507 0.840 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001112009886 846293648 /nfs/dbraw/zinc/29/36/48/846293648.db2.gz YOUXNXVLYHSMTB-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001112009886 846293655 /nfs/dbraw/zinc/29/36/55/846293655.db2.gz YOUXNXVLYHSMTB-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP CCN1CC[C@@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001112009886 846293668 /nfs/dbraw/zinc/29/36/68/846293668.db2.gz YOUXNXVLYHSMTB-FCEWJHQRSA-N 2 1 350.507 0.918 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075598 846355019 /nfs/dbraw/zinc/35/50/19/846355019.db2.gz KCZOFEHYTZQTSG-UPJWGTAASA-N 2 1 353.385 0.332 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075598 846355025 /nfs/dbraw/zinc/35/50/25/846355025.db2.gz KCZOFEHYTZQTSG-UPJWGTAASA-N 2 1 353.385 0.332 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112110456 846388467 /nfs/dbraw/zinc/38/84/67/846388467.db2.gz QBMYAOOKMWEVIJ-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112110456 846388479 /nfs/dbraw/zinc/38/84/79/846388479.db2.gz QBMYAOOKMWEVIJ-UPJWGTAASA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112114350 846394094 /nfs/dbraw/zinc/39/40/94/846394094.db2.gz MZVMOOGPCALKOU-WZRBSPASSA-N 2 1 350.385 0.052 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1)[NH+](C)C ZINC001112120281 846398579 /nfs/dbraw/zinc/39/85/79/846398579.db2.gz LTDGRKLMRRSECJ-JHJVBQTASA-N 2 1 366.428 0.830 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112124614 846402414 /nfs/dbraw/zinc/40/24/14/846402414.db2.gz ODXRRVZCWNJCFT-JHJVBQTASA-N 2 1 369.428 0.703 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166440 846429177 /nfs/dbraw/zinc/42/91/77/846429177.db2.gz UYSPLOOTCVFPMB-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166440 846429179 /nfs/dbraw/zinc/42/91/79/846429179.db2.gz UYSPLOOTCVFPMB-JHJVBQTASA-N 2 1 364.412 0.443 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112179095 846439264 /nfs/dbraw/zinc/43/92/64/846439264.db2.gz UQLIFXKDNPGRBG-CHWSQXEVSA-N 2 1 353.385 0.334 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112179811 846439408 /nfs/dbraw/zinc/43/94/08/846439408.db2.gz LUEJWQFAQITJGE-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112179811 846439410 /nfs/dbraw/zinc/43/94/10/846439410.db2.gz LUEJWQFAQITJGE-CHWSQXEVSA-N 2 1 366.428 0.963 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178928 846439663 /nfs/dbraw/zinc/43/96/63/846439663.db2.gz MJDIHXOYRSHMFC-BFHYXJOUSA-N 2 1 367.412 0.723 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112182225 846442672 /nfs/dbraw/zinc/44/26/72/846442672.db2.gz VTVVFQSVVCPBLD-CHWSQXEVSA-N 2 1 362.400 0.636 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCOC)C1 ZINC001112190310 846448843 /nfs/dbraw/zinc/44/88/43/846448843.db2.gz VGZBSNDDQOWCSF-ZIAGYGMSSA-N 2 1 369.428 0.970 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112196298 846453875 /nfs/dbraw/zinc/45/38/75/846453875.db2.gz APDRQFUISBCOCJ-FRRDWIJNSA-N 2 1 364.412 0.586 20 0 FCADMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112197201 846455389 /nfs/dbraw/zinc/45/53/89/846455389.db2.gz DBBXESZRPCSILR-JHJVBQTASA-N 2 1 366.428 0.832 20 0 FCADMP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285185 846487927 /nfs/dbraw/zinc/48/79/27/846487927.db2.gz OWKKVTCSSKSUQZ-BXWFABGCSA-N 2 1 350.507 0.824 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112428544 846504160 /nfs/dbraw/zinc/50/41/60/846504160.db2.gz LAASIBSOGUZHFJ-JZXOWHBKSA-N 2 1 371.547 0.734 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)CC[N@@H+]1C ZINC001112865979 846537245 /nfs/dbraw/zinc/53/72/45/846537245.db2.gz JUVPEZLVUWERDA-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)CC[N@H+]1C ZINC001112865979 846537250 /nfs/dbraw/zinc/53/72/50/846537250.db2.gz JUVPEZLVUWERDA-FGTMMUONSA-N 2 1 355.523 0.894 20 0 FCADMP CC(C)[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001116855284 846786737 /nfs/dbraw/zinc/78/67/37/846786737.db2.gz WBZVMGOGPHSQPT-JFIYKMOQSA-N 2 1 352.523 0.578 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccco1 ZINC001116968090 846822868 /nfs/dbraw/zinc/82/28/68/846822868.db2.gz MRBRFTVKMRCUTQ-RRFJBIMHSA-N 2 1 350.463 0.988 20 0 FCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001118325352 847382912 /nfs/dbraw/zinc/38/29/12/847382912.db2.gz GYSDMHUHVHRVAG-YEWWUXTCSA-N 2 1 350.463 0.550 20 0 FCADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](N)CC[NH+](C)C)CC2)oc1C ZINC001118337305 847387942 /nfs/dbraw/zinc/38/79/42/847387942.db2.gz MHFIZXZWTMDIGX-MRXNPFEDSA-N 2 1 351.495 0.899 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001121810716 848397166 /nfs/dbraw/zinc/39/71/66/848397166.db2.gz NSSTTZSCXNAGOV-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCN1C ZINC001123794846 848639303 /nfs/dbraw/zinc/63/93/03/848639303.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123794846 848639309 /nfs/dbraw/zinc/63/93/09/848639309.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123794846 848639313 /nfs/dbraw/zinc/63/93/13/848639313.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 1 351.539 0.994 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nc3c(s2)CCC3)CC[N@H+]1C ZINC001127637884 848730736 /nfs/dbraw/zinc/73/07/36/848730736.db2.gz BBKXKOTZLZWJRE-VXGBXAGGSA-N 2 1 365.503 0.616 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cc(F)ccc2F)CC[N@H+]1C ZINC001127659839 848731349 /nfs/dbraw/zinc/73/13/49/848731349.db2.gz NFJJKYMUYFUWAH-DGCLKSJQSA-N 2 1 354.401 0.949 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2cccs2)CC[N@H+]1C ZINC001127653008 848731467 /nfs/dbraw/zinc/73/14/67/848731467.db2.gz JGJKLSOFYVAKIQ-IJEWVQPXSA-N 2 1 355.504 0.672 20 0 FCADMP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660254 848731761 /nfs/dbraw/zinc/73/17/61/848731761.db2.gz STBVZFNYKIPAQJ-HZPDHXFCSA-N 2 1 356.511 0.211 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001127707283 848734382 /nfs/dbraw/zinc/73/43/82/848734382.db2.gz YPDHWIRSYGALGR-HZSPNIEDSA-N 2 1 351.451 0.746 20 0 FCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054962 848800953 /nfs/dbraw/zinc/80/09/53/848800953.db2.gz SEXJHLGFDAPSQY-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054962 848800959 /nfs/dbraw/zinc/80/09/59/848800959.db2.gz SEXJHLGFDAPSQY-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129054962 848800963 /nfs/dbraw/zinc/80/09/63/848800963.db2.gz SEXJHLGFDAPSQY-OAGGEKHMSA-N 2 1 352.458 0.854 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276398 848824645 /nfs/dbraw/zinc/82/46/45/848824645.db2.gz IHKAECXAJIBCQD-CABCVRRESA-N 2 1 354.474 0.957 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276398 848824654 /nfs/dbraw/zinc/82/46/54/848824654.db2.gz IHKAECXAJIBCQD-CABCVRRESA-N 2 1 354.474 0.957 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276398 848824661 /nfs/dbraw/zinc/82/46/61/848824661.db2.gz IHKAECXAJIBCQD-CABCVRRESA-N 2 1 354.474 0.957 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129884695 848907570 /nfs/dbraw/zinc/90/75/70/848907570.db2.gz RAVIDMICWIMCBD-OAGGEKHMSA-N 2 1 350.467 0.140 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894607 848910053 /nfs/dbraw/zinc/91/00/53/848910053.db2.gz KUHIWKYQJQXLFY-CVEARBPZSA-N 2 1 350.467 0.140 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001130005763 848929384 /nfs/dbraw/zinc/92/93/84/848929384.db2.gz GPRDQZVAHNURMV-GCRBFPJHSA-N 2 1 352.870 0.714 20 0 FCADMP COc1c(F)cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1F ZINC001130182450 848960335 /nfs/dbraw/zinc/96/03/35/848960335.db2.gz IEEKDBXUXCMESR-IAQYHMDHSA-N 2 1 357.401 0.898 20 0 FCADMP COc1c(F)cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1F ZINC001130182450 848960340 /nfs/dbraw/zinc/96/03/40/848960340.db2.gz IEEKDBXUXCMESR-IAQYHMDHSA-N 2 1 357.401 0.898 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2Cl)O1 ZINC001130182671 848962036 /nfs/dbraw/zinc/96/20/36/848962036.db2.gz RXSLNWGFPIFQSJ-DAXOMENPSA-N 2 1 355.866 0.798 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2Cl)O1 ZINC001130182671 848962039 /nfs/dbraw/zinc/96/20/39/848962039.db2.gz RXSLNWGFPIFQSJ-DAXOMENPSA-N 2 1 355.866 0.798 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2cccs2)O1 ZINC001130184125 848962351 /nfs/dbraw/zinc/96/23/51/848962351.db2.gz BMRVKEUIDVDCIJ-IIAWOOMASA-N 2 1 371.503 0.051 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2cccs2)O1 ZINC001130184125 848962354 /nfs/dbraw/zinc/96/23/54/848962354.db2.gz BMRVKEUIDVDCIJ-IIAWOOMASA-N 2 1 371.503 0.051 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130232209 848982512 /nfs/dbraw/zinc/98/25/12/848982512.db2.gz CSMIBDSSRYOODG-KCQAQPDRSA-N 2 1 352.483 0.489 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001130238027 848985275 /nfs/dbraw/zinc/98/52/75/848985275.db2.gz POMLUZVDIIVTAA-RDBSUJKOSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001130238027 848985279 /nfs/dbraw/zinc/98/52/79/848985279.db2.gz POMLUZVDIIVTAA-RDBSUJKOSA-N 2 1 350.467 0.387 20 0 FCADMP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001130238027 848985285 /nfs/dbraw/zinc/98/52/85/848985285.db2.gz POMLUZVDIIVTAA-RDBSUJKOSA-N 2 1 350.467 0.387 20 0 FCADMP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130242425 848986894 /nfs/dbraw/zinc/98/68/94/848986894.db2.gz WLEWGJMRXDPFGN-KBPBESRZSA-N 2 1 352.483 0.635 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001130622153 849021334 /nfs/dbraw/zinc/02/13/34/849021334.db2.gz TXTGNTZFWYQLGL-IJEWVQPXSA-N 2 1 351.495 0.415 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130706739 849027628 /nfs/dbraw/zinc/02/76/28/849027628.db2.gz WQSUAEZTZIGUTO-YQQAZPJKSA-N 2 1 351.495 0.681 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130706726 849028100 /nfs/dbraw/zinc/02/81/00/849028100.db2.gz VNRBQUNMMPWIMY-HLLBOEOZSA-N 2 1 351.495 0.681 20 0 FCADMP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737155 849030588 /nfs/dbraw/zinc/03/05/88/849030588.db2.gz VEHSNNNMPXYJHV-YQQAZPJKSA-N 2 1 351.495 0.679 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C3CCC3)n2)O1 ZINC001130790197 849043541 /nfs/dbraw/zinc/04/35/41/849043541.db2.gz MGICGGZOGANSKK-UONOGXRCSA-N 2 1 350.467 0.735 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C[NH+](C)C)CC3)n[nH]2)O1 ZINC001130802182 849046151 /nfs/dbraw/zinc/04/61/51/849046151.db2.gz GRTALQYQXDPSSD-QWHCGFSZSA-N 2 1 350.467 0.592 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130812787 849047004 /nfs/dbraw/zinc/04/70/04/849047004.db2.gz AHNGLULCLORMTE-QWHCGFSZSA-N 2 1 356.446 0.542 20 0 FCADMP CC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130812787 849047017 /nfs/dbraw/zinc/04/70/17/849047017.db2.gz AHNGLULCLORMTE-QWHCGFSZSA-N 2 1 356.446 0.542 20 0 FCADMP CC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130812787 849047019 /nfs/dbraw/zinc/04/70/19/849047019.db2.gz AHNGLULCLORMTE-QWHCGFSZSA-N 2 1 356.446 0.542 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130817449 849048399 /nfs/dbraw/zinc/04/83/99/849048399.db2.gz OHHDCVYOQSRUSQ-RWMBFGLXSA-N 2 1 354.430 0.152 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130817449 849048405 /nfs/dbraw/zinc/04/84/05/849048405.db2.gz OHHDCVYOQSRUSQ-RWMBFGLXSA-N 2 1 354.430 0.152 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)C1 ZINC001130817449 849048411 /nfs/dbraw/zinc/04/84/11/849048411.db2.gz OHHDCVYOQSRUSQ-RWMBFGLXSA-N 2 1 354.430 0.152 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001131316102 849095762 /nfs/dbraw/zinc/09/57/62/849095762.db2.gz BKTCOQUYQBBIHD-OAGGEKHMSA-N 2 1 352.479 0.843 20 0 FCADMP CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361949 849096501 /nfs/dbraw/zinc/09/65/01/849096501.db2.gz HSOHAXQRDAEXGM-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361949 849096505 /nfs/dbraw/zinc/09/65/05/849096505.db2.gz HSOHAXQRDAEXGM-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361949 849096507 /nfs/dbraw/zinc/09/65/07/849096507.db2.gz HSOHAXQRDAEXGM-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP CCOCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361949 849096510 /nfs/dbraw/zinc/09/65/10/849096510.db2.gz HSOHAXQRDAEXGM-HZPDHXFCSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2csnn2)CC1 ZINC001131564774 849124546 /nfs/dbraw/zinc/12/45/46/849124546.db2.gz VLBRVHIIWXPQQN-WBVHZDCISA-N 2 1 367.519 0.976 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CC[NH2+]CCO)Cc2cccc(Cl)c2)O1 ZINC001133399119 849150420 /nfs/dbraw/zinc/15/04/20/849150420.db2.gz DGFRYBGXWQMCDW-RHSMWYFYSA-N 2 1 369.893 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CC[NH2+]CCO)Cc2cccc(Cl)c2)O1 ZINC001133399119 849150426 /nfs/dbraw/zinc/15/04/26/849150426.db2.gz DGFRYBGXWQMCDW-RHSMWYFYSA-N 2 1 369.893 0.970 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126452 849175938 /nfs/dbraw/zinc/17/59/38/849175938.db2.gz RHZHITMQTJFJSW-CVEARBPZSA-N 2 1 353.488 0.082 20 0 FCADMP C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551185 849270918 /nfs/dbraw/zinc/27/09/18/849270918.db2.gz BCDWYGINLIZJTK-WNRNVDISSA-N 2 1 352.523 0.316 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cnc(N)s2)CC3)CC1 ZINC001139228711 849332996 /nfs/dbraw/zinc/33/29/96/849332996.db2.gz NTTQIMWXUXJBTD-UHFFFAOYSA-N 2 1 359.503 0.868 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cnc(N)s2)CC3)CC1 ZINC001139228711 849333002 /nfs/dbraw/zinc/33/30/02/849333002.db2.gz NTTQIMWXUXJBTD-UHFFFAOYSA-N 2 1 359.503 0.868 20 0 FCADMP Cc1ncoc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001141053511 849380790 /nfs/dbraw/zinc/38/07/90/849380790.db2.gz FWBPQIXZYXXWBJ-UHFFFAOYSA-N 2 1 350.463 0.986 20 0 FCADMP Cc1ncoc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001141053511 849380797 /nfs/dbraw/zinc/38/07/97/849380797.db2.gz FWBPQIXZYXXWBJ-UHFFFAOYSA-N 2 1 350.463 0.986 20 0 FCADMP COC(OC)c1c(CO)ccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155376781 849850671 /nfs/dbraw/zinc/85/06/71/849850671.db2.gz PBBKGIKCHYCNAC-OAHLLOKOSA-N 2 1 350.463 0.725 20 0 FCADMP CN(C)C1(CNc2nc(Cl)nc(N3CCOCC3)n2)CC[NH+](C)CC1 ZINC001156176872 849892883 /nfs/dbraw/zinc/89/28/83/849892883.db2.gz VNFXHQKXHQQESF-UHFFFAOYSA-N 2 1 369.901 0.800 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001158389410 850045861 /nfs/dbraw/zinc/04/58/61/850045861.db2.gz CWYCSGOSMVQCQX-ZIAGYGMSSA-N 2 1 350.467 0.103 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001158404192 850047690 /nfs/dbraw/zinc/04/76/90/850047690.db2.gz ROXQCSDIQBENDU-JKSUJKDBSA-N 2 1 350.463 0.722 20 0 FCADMP O=C(N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159832070 850139143 /nfs/dbraw/zinc/13/91/43/850139143.db2.gz AZXTVSANBQYEAU-FSZRXZPDSA-N 2 1 361.515 0.517 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834658 850139526 /nfs/dbraw/zinc/13/95/26/850139526.db2.gz WFYDWUSVLOLVDT-GVRJEKJASA-N 2 1 361.515 0.516 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001160862613 850208845 /nfs/dbraw/zinc/20/88/45/850208845.db2.gz RYYMYVCNMUVSCW-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001160862613 850208864 /nfs/dbraw/zinc/20/88/64/850208864.db2.gz RYYMYVCNMUVSCW-BZUAXINKSA-N 2 1 354.495 0.060 20 0 FCADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161051356 850225415 /nfs/dbraw/zinc/22/54/15/850225415.db2.gz UEUPISMVRPPINE-LSDHHAIUSA-N 2 1 357.520 0.342 20 0 FCADMP C[C@@]1(C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161197718 850238918 /nfs/dbraw/zinc/23/89/18/850238918.db2.gz CTVBEEPWUOHMNO-LJQANCHMSA-N 3 1 352.523 0.537 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCN(C(=O)C(F)(F)F)CC3)n2)CC1 ZINC001164598573 850418734 /nfs/dbraw/zinc/41/87/34/850418734.db2.gz IOCSGLNYFQDXEL-UHFFFAOYSA-N 2 1 358.368 0.615 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711983 850453507 /nfs/dbraw/zinc/45/35/07/850453507.db2.gz ZTRWSFURUAFONW-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711983 850453513 /nfs/dbraw/zinc/45/35/13/850453513.db2.gz ZTRWSFURUAFONW-HUUCEWRRSA-N 2 1 354.495 0.060 20 0 FCADMP COCCOCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728871 850453569 /nfs/dbraw/zinc/45/35/69/850453569.db2.gz WKTHWONMCBZCRX-HZPDHXFCSA-N 2 1 357.495 0.245 20 0 FCADMP COCCOCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728871 850453572 /nfs/dbraw/zinc/45/35/72/850453572.db2.gz WKTHWONMCBZCRX-HZPDHXFCSA-N 2 1 357.495 0.245 20 0 FCADMP O=S(=O)(N(C[C@H]1CCC[NH2+]1)c1ncnc2c1C[NH2+]C2)C(F)(F)F ZINC001166881372 850508932 /nfs/dbraw/zinc/50/89/32/850508932.db2.gz IACDYNIUEIWAKV-MRVPVSSYSA-N 2 1 351.354 0.488 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500977 850686163 /nfs/dbraw/zinc/68/61/63/850686163.db2.gz OLWJPGPMUSKQGV-RRFJBIMHSA-N 2 1 352.483 0.299 20 0 FCADMP C[C@@H](CCCC[NH2+]Cc1ncnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500977 850686168 /nfs/dbraw/zinc/68/61/68/850686168.db2.gz OLWJPGPMUSKQGV-RRFJBIMHSA-N 2 1 352.483 0.299 20 0 FCADMP COC(=O)N1CCC([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001172742139 850713183 /nfs/dbraw/zinc/71/31/83/850713183.db2.gz ZXYLJNRCKINVLU-UHFFFAOYSA-N 2 1 352.479 0.879 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(CC(F)(F)F)CC1 ZINC001173657808 850732418 /nfs/dbraw/zinc/73/24/18/850732418.db2.gz NRSPRAGDPSSASA-NSHDSACASA-N 2 1 353.389 0.408 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001178811362 850933571 /nfs/dbraw/zinc/93/35/71/850933571.db2.gz SNXUYRDQRMKUCD-OWCLPIDISA-N 2 1 356.511 0.448 20 0 FCADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)N(C)C ZINC001178811362 850933580 /nfs/dbraw/zinc/93/35/80/850933580.db2.gz SNXUYRDQRMKUCD-OWCLPIDISA-N 2 1 356.511 0.448 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC=CO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278141257 862210047 /nfs/dbraw/zinc/21/00/47/862210047.db2.gz UVULKNXYEJUMFP-PKOBYXMFSA-N 2 1 350.507 0.897 20 0 FCADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C1 ZINC001182314337 851169247 /nfs/dbraw/zinc/16/92/47/851169247.db2.gz GSAGVIHPPLOVIW-INIZCTEOSA-N 2 1 353.488 0.954 20 0 FCADMP CC(C)CNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958321 851631785 /nfs/dbraw/zinc/63/17/85/851631785.db2.gz PYNCEMIRYJNKTA-YYIAUSFCSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958321 851631791 /nfs/dbraw/zinc/63/17/91/851631791.db2.gz PYNCEMIRYJNKTA-YYIAUSFCSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958321 851631794 /nfs/dbraw/zinc/63/17/94/851631794.db2.gz PYNCEMIRYJNKTA-YYIAUSFCSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958321 851631797 /nfs/dbraw/zinc/63/17/97/851631797.db2.gz PYNCEMIRYJNKTA-YYIAUSFCSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958321 851631802 /nfs/dbraw/zinc/63/18/02/851631802.db2.gz PYNCEMIRYJNKTA-YYIAUSFCSA-N 2 1 350.507 0.632 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673561 851719155 /nfs/dbraw/zinc/71/91/55/851719155.db2.gz OTXADFRRJDWHOU-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673561 851719160 /nfs/dbraw/zinc/71/91/60/851719160.db2.gz OTXADFRRJDWHOU-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001188963762 851738233 /nfs/dbraw/zinc/73/82/33/851738233.db2.gz RAGRXEJQIOIHGJ-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)CS(C)(=O)=O ZINC001188963762 851738241 /nfs/dbraw/zinc/73/82/41/851738241.db2.gz RAGRXEJQIOIHGJ-HRCADAONSA-N 2 1 359.536 0.542 20 0 FCADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001188970380 851739398 /nfs/dbraw/zinc/73/93/98/851739398.db2.gz HLGNPBIZSRCUIS-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126364 851755256 /nfs/dbraw/zinc/75/52/56/851755256.db2.gz FYIHGXVPMKHFAW-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126364 851755261 /nfs/dbraw/zinc/75/52/61/851755261.db2.gz FYIHGXVPMKHFAW-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126364 851755265 /nfs/dbraw/zinc/75/52/65/851755265.db2.gz FYIHGXVPMKHFAW-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189126364 851755270 /nfs/dbraw/zinc/75/52/70/851755270.db2.gz FYIHGXVPMKHFAW-OWCLPIDISA-N 2 1 350.507 0.918 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189453353 851792763 /nfs/dbraw/zinc/79/27/63/851792763.db2.gz HELGYAAELMAIQU-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189453353 851792770 /nfs/dbraw/zinc/79/27/70/851792770.db2.gz HELGYAAELMAIQU-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189453353 851792777 /nfs/dbraw/zinc/79/27/77/851792777.db2.gz HELGYAAELMAIQU-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N1CC[C@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189802060 851826012 /nfs/dbraw/zinc/82/60/12/851826012.db2.gz QCXLWMIMHSPRGT-MELADBBJSA-N 2 1 361.408 0.928 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001189810858 851827076 /nfs/dbraw/zinc/82/70/76/851827076.db2.gz KALSWZLFSLNVDQ-OKZBNKHCSA-N 2 1 353.507 0.914 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819943 851828175 /nfs/dbraw/zinc/82/81/75/851828175.db2.gz GNNILJGRGGNMLG-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819943 851828188 /nfs/dbraw/zinc/82/81/88/851828188.db2.gz GNNILJGRGGNMLG-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819943 851828197 /nfs/dbraw/zinc/82/81/97/851828197.db2.gz GNNILJGRGGNMLG-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001189819943 851828200 /nfs/dbraw/zinc/82/82/00/851828200.db2.gz GNNILJGRGGNMLG-HRCADAONSA-N 2 1 350.507 0.776 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913128 851839841 /nfs/dbraw/zinc/83/98/41/851839841.db2.gz MQFBTTPNCYZLNE-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913128 851839844 /nfs/dbraw/zinc/83/98/44/851839844.db2.gz MQFBTTPNCYZLNE-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001189913128 851839848 /nfs/dbraw/zinc/83/98/48/851839848.db2.gz MQFBTTPNCYZLNE-YQQAZPJKSA-N 2 1 350.507 0.918 20 0 FCADMP COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238344 851882226 /nfs/dbraw/zinc/88/22/26/851882226.db2.gz LXAGQHBHRBVIMG-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238344 851882229 /nfs/dbraw/zinc/88/22/29/851882229.db2.gz LXAGQHBHRBVIMG-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238344 851882231 /nfs/dbraw/zinc/88/22/31/851882231.db2.gz LXAGQHBHRBVIMG-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP COCCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238344 851882233 /nfs/dbraw/zinc/88/22/33/851882233.db2.gz LXAGQHBHRBVIMG-BZUAXINKSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190318811 851891410 /nfs/dbraw/zinc/89/14/10/851891410.db2.gz VBGTVPMPJIUSHF-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190318811 851891416 /nfs/dbraw/zinc/89/14/16/851891416.db2.gz VBGTVPMPJIUSHF-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325124 851891473 /nfs/dbraw/zinc/89/14/73/851891473.db2.gz SMKOTIWQCYXJJQ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325124 851891478 /nfs/dbraw/zinc/89/14/78/851891478.db2.gz SMKOTIWQCYXJJQ-DLBZAZTESA-N 2 1 350.507 0.873 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325583 851891638 /nfs/dbraw/zinc/89/16/38/851891638.db2.gz ZUJDNKWGLTZITJ-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193507436 852438972 /nfs/dbraw/zinc/43/89/72/852438972.db2.gz WYIOWISLQVXZGY-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001193507436 852438975 /nfs/dbraw/zinc/43/89/75/852438975.db2.gz WYIOWISLQVXZGY-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193507436 852438978 /nfs/dbraw/zinc/43/89/78/852438978.db2.gz WYIOWISLQVXZGY-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193507436 852438980 /nfs/dbraw/zinc/43/89/80/852438980.db2.gz WYIOWISLQVXZGY-KZNAEPCWSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O ZINC001193756985 852483159 /nfs/dbraw/zinc/48/31/59/852483159.db2.gz WVBVQRCNMQRVLG-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001193756985 852483161 /nfs/dbraw/zinc/48/31/61/852483161.db2.gz WVBVQRCNMQRVLG-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001193756985 852483165 /nfs/dbraw/zinc/48/31/65/852483165.db2.gz WVBVQRCNMQRVLG-RCCFBDPRSA-N 2 1 353.507 0.837 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001194265711 852570798 /nfs/dbraw/zinc/57/07/98/852570798.db2.gz WGRVOIMTTMGQAH-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001194265711 852570800 /nfs/dbraw/zinc/57/08/00/852570800.db2.gz WGRVOIMTTMGQAH-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001194265711 852570806 /nfs/dbraw/zinc/57/08/06/852570806.db2.gz WGRVOIMTTMGQAH-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001194265711 852570808 /nfs/dbraw/zinc/57/08/08/852570808.db2.gz WGRVOIMTTMGQAH-BZUAXINKSA-N 2 1 357.495 0.074 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289346 852573440 /nfs/dbraw/zinc/57/34/40/852573440.db2.gz KGGPITHYMWEABQ-IAGOWNOFSA-N 2 1 350.463 0.496 20 0 FCADMP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677449 852811896 /nfs/dbraw/zinc/81/18/96/852811896.db2.gz QJDMUXJSXCXVLU-ZIAGYGMSSA-N 2 1 352.504 0.497 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195709191 852816621 /nfs/dbraw/zinc/81/66/21/852816621.db2.gz XZYWBQVTNRWCPT-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869967 852837288 /nfs/dbraw/zinc/83/72/88/852837288.db2.gz GJCKNRDGQBRMJS-HUUCEWRRSA-N 2 1 351.447 0.187 20 0 FCADMP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869967 852837292 /nfs/dbraw/zinc/83/72/92/852837292.db2.gz GJCKNRDGQBRMJS-HUUCEWRRSA-N 2 1 351.447 0.187 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196130901 852896738 /nfs/dbraw/zinc/89/67/38/852896738.db2.gz MIBDKGKLTDZOOD-HZSPNIEDSA-N 2 1 351.438 0.550 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196130901 852896743 /nfs/dbraw/zinc/89/67/43/852896743.db2.gz MIBDKGKLTDZOOD-HZSPNIEDSA-N 2 1 351.438 0.550 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001196167091 852903600 /nfs/dbraw/zinc/90/36/00/852903600.db2.gz BMIUTCDIQRHKDU-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196167091 852903605 /nfs/dbraw/zinc/90/36/05/852903605.db2.gz BMIUTCDIQRHKDU-DJIMGWMZSA-N 2 1 350.463 0.342 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169115 852904655 /nfs/dbraw/zinc/90/46/55/852904655.db2.gz OSLRDCNJXCVMIK-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169115 852904657 /nfs/dbraw/zinc/90/46/57/852904657.db2.gz OSLRDCNJXCVMIK-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001196169115 852904659 /nfs/dbraw/zinc/90/46/59/852904659.db2.gz OSLRDCNJXCVMIK-MGPQQGTHSA-N 2 1 367.412 0.601 20 0 FCADMP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251990 852924943 /nfs/dbraw/zinc/92/49/43/852924943.db2.gz POTAHNCMRQBPIT-BRWVUGGUSA-N 2 1 357.495 0.075 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196645536 852992077 /nfs/dbraw/zinc/99/20/77/852992077.db2.gz QLWHUJDXNMKIML-BZUAXINKSA-N 2 1 350.463 0.594 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196645536 852992083 /nfs/dbraw/zinc/99/20/83/852992083.db2.gz QLWHUJDXNMKIML-BZUAXINKSA-N 2 1 350.463 0.594 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@H]2O)cn1 ZINC001196798815 853015147 /nfs/dbraw/zinc/01/51/47/853015147.db2.gz UTMPKAZSJFSWSM-HZPDHXFCSA-N 2 1 355.458 0.359 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001196920140 853031067 /nfs/dbraw/zinc/03/10/67/853031067.db2.gz SGAYFOQDAWVCDA-IAGOWNOFSA-N 2 1 350.463 0.560 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001196920140 853031073 /nfs/dbraw/zinc/03/10/73/853031073.db2.gz SGAYFOQDAWVCDA-IAGOWNOFSA-N 2 1 350.463 0.560 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1O ZINC001196946982 853037712 /nfs/dbraw/zinc/03/77/12/853037712.db2.gz PRVUQAUNTYHFRT-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1O ZINC001196946982 853037718 /nfs/dbraw/zinc/03/77/18/853037718.db2.gz PRVUQAUNTYHFRT-QZTJIDSGSA-N 2 1 353.507 0.840 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197493239 853123047 /nfs/dbraw/zinc/12/30/47/853123047.db2.gz HKBAXQXZLOUZLL-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197493239 853123054 /nfs/dbraw/zinc/12/30/54/853123054.db2.gz HKBAXQXZLOUZLL-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197493239 853123059 /nfs/dbraw/zinc/12/30/59/853123059.db2.gz HKBAXQXZLOUZLL-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001197826007 853167836 /nfs/dbraw/zinc/16/78/36/853167836.db2.gz LTYXMFOUONQJSP-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001197826007 853167841 /nfs/dbraw/zinc/16/78/41/853167841.db2.gz LTYXMFOUONQJSP-CHWSQXEVSA-N 2 1 355.401 0.459 20 0 FCADMP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833229 853169083 /nfs/dbraw/zinc/16/90/83/853169083.db2.gz DNMOJYYFEZUKQU-NVXWUHKLSA-N 2 1 350.463 0.739 20 0 FCADMP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833229 853169090 /nfs/dbraw/zinc/16/90/90/853169090.db2.gz DNMOJYYFEZUKQU-NVXWUHKLSA-N 2 1 350.463 0.739 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O ZINC001197826437 853169169 /nfs/dbraw/zinc/16/91/69/853169169.db2.gz XEHQITDOJBQNNE-HZPDHXFCSA-N 2 1 355.504 0.420 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197950381 853190974 /nfs/dbraw/zinc/19/09/74/853190974.db2.gz ZCEAKSLNYVMHCJ-IAGOWNOFSA-N 2 1 351.495 0.393 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1O ZINC001198029660 853208098 /nfs/dbraw/zinc/20/80/98/853208098.db2.gz UNGLESIAEOHVLM-IAGOWNOFSA-N 2 1 351.495 0.339 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001198029660 853208101 /nfs/dbraw/zinc/20/81/01/853208101.db2.gz UNGLESIAEOHVLM-IAGOWNOFSA-N 2 1 351.495 0.339 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001198029660 853208104 /nfs/dbraw/zinc/20/81/04/853208104.db2.gz UNGLESIAEOHVLM-IAGOWNOFSA-N 2 1 351.495 0.339 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199017413 853355063 /nfs/dbraw/zinc/35/50/63/853355063.db2.gz GODAFMGVUALMJN-KZNAEPCWSA-N 2 1 353.507 0.840 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199070996 853363721 /nfs/dbraw/zinc/36/37/21/853363721.db2.gz CDEGQFYPPMLXJF-HUUCEWRRSA-N 2 1 352.504 0.989 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199070996 853363726 /nfs/dbraw/zinc/36/37/26/853363726.db2.gz CDEGQFYPPMLXJF-HUUCEWRRSA-N 2 1 352.504 0.989 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127894 853375195 /nfs/dbraw/zinc/37/51/95/853375195.db2.gz KYGQVFAYHGMCCD-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127894 853375199 /nfs/dbraw/zinc/37/51/99/853375199.db2.gz KYGQVFAYHGMCCD-KZNAEPCWSA-N 2 1 355.523 0.941 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128456 853376381 /nfs/dbraw/zinc/37/63/81/853376381.db2.gz REBQDQZSJSONKW-ZACQAIPSSA-N 2 1 366.531 0.967 20 0 FCADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128456 853376386 /nfs/dbraw/zinc/37/63/86/853376386.db2.gz REBQDQZSJSONKW-ZACQAIPSSA-N 2 1 366.531 0.967 20 0 FCADMP CC[NH+](CC)C[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CCO1 ZINC001199947783 853466926 /nfs/dbraw/zinc/46/69/26/853466926.db2.gz PZUBEPHTJBAXOF-INIZCTEOSA-N 2 1 358.552 0.626 20 0 FCADMP C[C@H](C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001200644938 853506849 /nfs/dbraw/zinc/50/68/49/853506849.db2.gz UEHZVNKGOSISLC-IIAWOOMASA-N 2 1 359.536 0.588 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)C(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001200651685 853507230 /nfs/dbraw/zinc/50/72/30/853507230.db2.gz HNGFSKDOZCKXBN-XOKHGSTOSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229653 853520598 /nfs/dbraw/zinc/52/05/98/853520598.db2.gz FLZLJOCXVSAHDL-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229653 853520604 /nfs/dbraw/zinc/52/06/04/853520604.db2.gz FLZLJOCXVSAHDL-SQWLQELKSA-N 2 1 354.495 0.201 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205516633 853619474 /nfs/dbraw/zinc/61/94/74/853619474.db2.gz NTBGYXIEGBVHBW-DLBZAZTESA-N 2 1 353.507 0.650 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979179 853775840 /nfs/dbraw/zinc/77/58/40/853775840.db2.gz JMIQZDKBYDHUHH-DJIMGWMZSA-N 2 1 350.507 0.632 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979179 853775844 /nfs/dbraw/zinc/77/58/44/853775844.db2.gz JMIQZDKBYDHUHH-DJIMGWMZSA-N 2 1 350.507 0.632 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001207263612 853795378 /nfs/dbraw/zinc/79/53/78/853795378.db2.gz XNSNLUOGWFOWMW-QLFBSQMISA-N 2 1 357.474 0.128 20 0 FCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC1CCN(S(C)(=O)=O)CC1 ZINC001207446533 853815072 /nfs/dbraw/zinc/81/50/72/853815072.db2.gz JQEQWEDYDDYKPA-UHFFFAOYSA-N 2 1 363.524 0.475 20 0 FCADMP COCCN1CCO[C@H]2C[N@@H+](CCC3CC[NH+](C)CC3)CC[C@H]2C1=O ZINC001207483988 853818694 /nfs/dbraw/zinc/81/86/94/853818694.db2.gz MBGRUYDVNYAQQE-MSOLQXFVSA-N 2 1 353.507 0.914 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207616874 853830253 /nfs/dbraw/zinc/83/02/53/853830253.db2.gz HWDHKSWPVYWGGT-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207616874 853830255 /nfs/dbraw/zinc/83/02/55/853830255.db2.gz HWDHKSWPVYWGGT-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207616874 853830258 /nfs/dbraw/zinc/83/02/58/853830258.db2.gz HWDHKSWPVYWGGT-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207616874 853830260 /nfs/dbraw/zinc/83/02/60/853830260.db2.gz HWDHKSWPVYWGGT-DJIMGWMZSA-N 2 1 350.507 0.824 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784417 853856701 /nfs/dbraw/zinc/85/67/01/853856701.db2.gz JLEHBADDHWPSTH-HYVNUMGLSA-N 2 1 350.463 0.352 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001208007931 853881844 /nfs/dbraw/zinc/88/18/44/853881844.db2.gz NIJDZBSQTKNYLH-DJIMGWMZSA-N 2 1 352.479 0.662 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001208007931 853881850 /nfs/dbraw/zinc/88/18/50/853881850.db2.gz NIJDZBSQTKNYLH-DJIMGWMZSA-N 2 1 352.479 0.662 20 0 FCADMP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001208101529 853894540 /nfs/dbraw/zinc/89/45/40/853894540.db2.gz SGYASROVHYGDCL-MRXNPFEDSA-N 2 1 356.511 0.802 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CC1 ZINC001208599424 853958360 /nfs/dbraw/zinc/95/83/60/853958360.db2.gz HKQCALKGEMBROQ-FGTMMUONSA-N 2 1 351.491 0.666 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C)[NH+](C)C ZINC001208708248 853967519 /nfs/dbraw/zinc/96/75/19/853967519.db2.gz RXFKWAQUWJWFRB-KFWWJZLASA-N 2 1 362.540 0.045 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001209149954 854002131 /nfs/dbraw/zinc/00/21/31/854002131.db2.gz KNOJJRYAGBNOJA-HZPDHXFCSA-N 2 1 352.479 0.842 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001209149954 854002134 /nfs/dbraw/zinc/00/21/34/854002134.db2.gz KNOJJRYAGBNOJA-HZPDHXFCSA-N 2 1 352.479 0.842 20 0 FCADMP O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2CCC[NH+]2CCCCC2)O1)N1CCOCC1 ZINC001209451549 854028375 /nfs/dbraw/zinc/02/83/75/854028375.db2.gz IJVJZWOEBNRWCU-KZNAEPCWSA-N 2 1 351.491 0.953 20 0 FCADMP O=C([C@H]1C[C@@H]2[C@@H](CC[N@H+]2CCC[NH+]2CCCCC2)O1)N1CCOCC1 ZINC001209451549 854028382 /nfs/dbraw/zinc/02/83/82/854028382.db2.gz IJVJZWOEBNRWCU-KZNAEPCWSA-N 2 1 351.491 0.953 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210033702 854072716 /nfs/dbraw/zinc/07/27/16/854072716.db2.gz WNDBRCJKSSVTGB-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210033702 854072722 /nfs/dbraw/zinc/07/27/22/854072722.db2.gz WNDBRCJKSSVTGB-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001210033702 854072727 /nfs/dbraw/zinc/07/27/27/854072727.db2.gz WNDBRCJKSSVTGB-GDBMZVCRSA-N 2 1 359.536 0.590 20 0 FCADMP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298353 854097542 /nfs/dbraw/zinc/09/75/42/854097542.db2.gz OSLRZYVMGNLLMU-GDBMZVCRSA-N 2 1 356.511 0.306 20 0 FCADMP CCC(CC)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298353 854097548 /nfs/dbraw/zinc/09/75/48/854097548.db2.gz OSLRZYVMGNLLMU-GDBMZVCRSA-N 2 1 356.511 0.306 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315201 854099739 /nfs/dbraw/zinc/09/97/39/854099739.db2.gz MGKXYOQCYMSKRX-FRRDWIJNSA-N 2 1 355.401 0.314 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330289 854101818 /nfs/dbraw/zinc/10/18/18/854101818.db2.gz UUBKQDIVQQPVAK-OWCLPIDISA-N 2 1 350.507 0.774 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210416142 854108623 /nfs/dbraw/zinc/10/86/23/854108623.db2.gz IRDGZCIZAQJCAF-IXDOHACOSA-N 2 1 351.495 0.412 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C ZINC001211047042 854150095 /nfs/dbraw/zinc/15/00/95/854150095.db2.gz YPHHWYFFJZWABY-JFIYKMOQSA-N 2 1 353.507 0.818 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001211369958 854183131 /nfs/dbraw/zinc/18/31/31/854183131.db2.gz VUKQTGHQFNEPBP-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001211369958 854183135 /nfs/dbraw/zinc/18/31/35/854183135.db2.gz VUKQTGHQFNEPBP-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1C ZINC001211369958 854183138 /nfs/dbraw/zinc/18/31/38/854183138.db2.gz VUKQTGHQFNEPBP-CHWSQXEVSA-N 2 1 366.428 0.832 20 0 FCADMP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212026396 854336656 /nfs/dbraw/zinc/33/66/56/854336656.db2.gz KYESWPNQEVTUMF-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212026396 854336661 /nfs/dbraw/zinc/33/66/61/854336661.db2.gz KYESWPNQEVTUMF-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001212026396 854336667 /nfs/dbraw/zinc/33/66/67/854336667.db2.gz KYESWPNQEVTUMF-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212026396 854336672 /nfs/dbraw/zinc/33/66/72/854336672.db2.gz KYESWPNQEVTUMF-HZSPNIEDSA-N 2 1 367.412 0.865 20 0 FCADMP CO[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458745 854486222 /nfs/dbraw/zinc/48/62/22/854486222.db2.gz OSOVFGSQYVOJOQ-ARFHVFGLSA-N 2 1 359.486 0.908 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC)[NH+](C)C ZINC001212462508 854488851 /nfs/dbraw/zinc/48/88/51/854488851.db2.gz DVOYRUXQDSWXCG-BZUAXINKSA-N 2 1 352.483 0.051 20 0 FCADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC)[NH+](C)C ZINC001212462508 854488860 /nfs/dbraw/zinc/48/88/60/854488860.db2.gz DVOYRUXQDSWXCG-BZUAXINKSA-N 2 1 352.483 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327715 854574754 /nfs/dbraw/zinc/57/47/54/854574754.db2.gz PTHPSLHUXZMUOU-DZJNRPSUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001213327715 854574757 /nfs/dbraw/zinc/57/47/57/854574757.db2.gz PTHPSLHUXZMUOU-DZJNRPSUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001213327715 854574759 /nfs/dbraw/zinc/57/47/59/854574759.db2.gz PTHPSLHUXZMUOU-DZJNRPSUSA-N 2 1 353.507 0.959 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342205 854582510 /nfs/dbraw/zinc/58/25/10/854582510.db2.gz LTFNKLROUHSZHB-IAGOWNOFSA-N 2 1 353.507 0.960 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346265 854583920 /nfs/dbraw/zinc/58/39/20/854583920.db2.gz FHWWGBGKSHZMHC-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346627 854583958 /nfs/dbraw/zinc/58/39/58/854583958.db2.gz WAYBKMRHHBKFCI-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346627 854583962 /nfs/dbraw/zinc/58/39/62/854583962.db2.gz WAYBKMRHHBKFCI-OWCLPIDISA-N 2 1 354.495 0.153 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576339 854671960 /nfs/dbraw/zinc/67/19/60/854671960.db2.gz KLHHHFLIXJSLBM-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576339 854671975 /nfs/dbraw/zinc/67/19/75/854671975.db2.gz KLHHHFLIXJSLBM-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576337 854672255 /nfs/dbraw/zinc/67/22/55/854672255.db2.gz KLHHHFLIXJSLBM-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576337 854672267 /nfs/dbraw/zinc/67/22/67/854672267.db2.gz KLHHHFLIXJSLBM-BRWVUGGUSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC)C(C)C ZINC001213592779 854678569 /nfs/dbraw/zinc/67/85/69/854678569.db2.gz DTZOTMKAUPPRLW-ZACQAIPSSA-N 2 1 359.511 0.177 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213597087 854679581 /nfs/dbraw/zinc/67/95/81/854679581.db2.gz UDLMSTIMTWUEMV-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213597087 854679582 /nfs/dbraw/zinc/67/95/82/854679582.db2.gz UDLMSTIMTWUEMV-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C2)cn1 ZINC001213597079 854679673 /nfs/dbraw/zinc/67/96/73/854679673.db2.gz TYMXUNHBVCKBRV-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C2)cn1 ZINC001213597079 854679675 /nfs/dbraw/zinc/67/96/75/854679675.db2.gz TYMXUNHBVCKBRV-IAGOWNOFSA-N 2 1 351.495 0.603 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001213598771 854680735 /nfs/dbraw/zinc/68/07/35/854680735.db2.gz MUODIJHCCNXFFL-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213678124 854712481 /nfs/dbraw/zinc/71/24/81/854712481.db2.gz FTQYFXPFGDGWOY-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213678124 854712484 /nfs/dbraw/zinc/71/24/84/854712484.db2.gz FTQYFXPFGDGWOY-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213678124 854712485 /nfs/dbraw/zinc/71/24/85/854712485.db2.gz FTQYFXPFGDGWOY-GVDBMIGSSA-N 2 1 357.495 0.339 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678291 854713498 /nfs/dbraw/zinc/71/34/98/854713498.db2.gz NFLUUYOHPKFRLI-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678291 854713501 /nfs/dbraw/zinc/71/35/01/854713501.db2.gz NFLUUYOHPKFRLI-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678291 854713503 /nfs/dbraw/zinc/71/35/03/854713503.db2.gz NFLUUYOHPKFRLI-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001213678291 854713507 /nfs/dbraw/zinc/71/35/07/854713507.db2.gz NFLUUYOHPKFRLI-JHJVBQTASA-N 2 1 355.401 0.457 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728356 854738054 /nfs/dbraw/zinc/73/80/54/854738054.db2.gz HVOPHVXALIQFRJ-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728356 854738060 /nfs/dbraw/zinc/73/80/60/854738060.db2.gz HVOPHVXALIQFRJ-IAGOWNOFSA-N 2 1 350.463 0.284 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893069 854815555 /nfs/dbraw/zinc/81/55/55/854815555.db2.gz YNXKHOZIZHPFHV-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893069 854815560 /nfs/dbraw/zinc/81/55/60/854815560.db2.gz YNXKHOZIZHPFHV-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893069 854815562 /nfs/dbraw/zinc/81/55/62/854815562.db2.gz YNXKHOZIZHPFHV-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2OC)C1 ZINC001213893069 854815568 /nfs/dbraw/zinc/81/55/68/854815568.db2.gz YNXKHOZIZHPFHV-ZACQAIPSSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930014 854830999 /nfs/dbraw/zinc/83/09/99/854830999.db2.gz VVIHRQQBBYNGCJ-HZPDHXFCSA-N 2 1 352.483 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930014 854831009 /nfs/dbraw/zinc/83/10/09/854831009.db2.gz VVIHRQQBBYNGCJ-HZPDHXFCSA-N 2 1 352.483 0.051 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930014 854831018 /nfs/dbraw/zinc/83/10/18/854831018.db2.gz VVIHRQQBBYNGCJ-HZPDHXFCSA-N 2 1 352.483 0.051 20 0 FCADMP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930014 854831028 /nfs/dbraw/zinc/83/10/28/854831028.db2.gz VVIHRQQBBYNGCJ-HZPDHXFCSA-N 2 1 352.483 0.051 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929817 854831311 /nfs/dbraw/zinc/83/13/11/854831311.db2.gz MFOBQIPHUBWCKG-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929817 854831317 /nfs/dbraw/zinc/83/13/17/854831317.db2.gz MFOBQIPHUBWCKG-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP CO[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929817 854831323 /nfs/dbraw/zinc/83/13/23/854831323.db2.gz MFOBQIPHUBWCKG-BRWVUGGUSA-N 2 1 357.495 0.338 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214335873 854927408 /nfs/dbraw/zinc/92/74/08/854927408.db2.gz LLEHOABCUURYNM-RBSFLKMASA-N 2 1 353.511 0.615 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214611149 854977431 /nfs/dbraw/zinc/97/74/31/854977431.db2.gz RAVIAVDLHFWZQB-DJIMGWMZSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214611150 854977703 /nfs/dbraw/zinc/97/77/03/854977703.db2.gz RAVIAVDLHFWZQB-OIISXLGYSA-N 2 1 350.507 0.822 20 0 FCADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663748 854988137 /nfs/dbraw/zinc/98/81/37/854988137.db2.gz AMCZGEMQGKUJNM-KLHDSHLOSA-N 2 1 374.551 0.093 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001214666253 854989227 /nfs/dbraw/zinc/98/92/27/854989227.db2.gz YBNHLOZVVHILRF-XLNGHYISSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001214667937 854989280 /nfs/dbraw/zinc/98/92/80/854989280.db2.gz IKMADCZCLWYMIT-QKPAOTATSA-N 2 1 374.551 0.093 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214780033 855012068 /nfs/dbraw/zinc/01/20/68/855012068.db2.gz IMFIFWXXXPVDNU-BZUAXINKSA-N 2 1 359.536 0.732 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C2)C1 ZINC001214845228 855021206 /nfs/dbraw/zinc/02/12/06/855021206.db2.gz KMJSEBGQZXDIKG-IXDOHACOSA-N 2 1 352.523 0.925 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214855522 855023118 /nfs/dbraw/zinc/02/31/18/855023118.db2.gz FCVIYYJMLLGRAW-HYVNUMGLSA-N 2 1 350.507 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214950361 855039034 /nfs/dbraw/zinc/03/90/34/855039034.db2.gz PTEGCGDYARNOGO-KBUPBQIOSA-N 2 1 354.495 0.057 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214950361 855039036 /nfs/dbraw/zinc/03/90/36/855039036.db2.gz PTEGCGDYARNOGO-KBUPBQIOSA-N 2 1 354.495 0.057 20 0 FCADMP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968776 855041722 /nfs/dbraw/zinc/04/17/22/855041722.db2.gz BGOSPCIRBCMIDD-OAGGEKHMSA-N 2 1 354.495 0.060 20 0 FCADMP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215539976 855126525 /nfs/dbraw/zinc/12/65/25/855126525.db2.gz FURRDBWGJRQMBC-HLLBOEOZSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215536421 855126607 /nfs/dbraw/zinc/12/66/07/855126607.db2.gz QXNQHOBNWLOIMR-HLLBOEOZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215558401 855127656 /nfs/dbraw/zinc/12/76/56/855127656.db2.gz RYAKTYXUKWSKLQ-IIAWOOMASA-N 2 1 350.507 0.822 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001215567648 855129119 /nfs/dbraw/zinc/12/91/19/855129119.db2.gz BXRWCDSEBSPHPQ-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)c1nnnn1C ZINC001215567648 855129120 /nfs/dbraw/zinc/12/91/20/855129120.db2.gz BXRWCDSEBSPHPQ-MGPQQGTHSA-N 2 1 351.499 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216217574 855180241 /nfs/dbraw/zinc/18/02/41/855180241.db2.gz ZMFVHSYQADLEDB-VXGBXAGGSA-N 2 1 352.401 0.443 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001216383834 855197821 /nfs/dbraw/zinc/19/78/21/855197821.db2.gz QUOXRBGVZFYWEL-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001216384108 855197835 /nfs/dbraw/zinc/19/78/35/855197835.db2.gz YDZKRYUKIXXPQK-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216515947 855210762 /nfs/dbraw/zinc/21/07/62/855210762.db2.gz VPHXUGQMDRAJNG-CHWSQXEVSA-N 2 1 366.428 0.785 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216754018 855232828 /nfs/dbraw/zinc/23/28/28/855232828.db2.gz DQSOWNWQAFGBCT-RBSFLKMASA-N 2 1 357.520 0.199 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001216844483 855256459 /nfs/dbraw/zinc/25/64/59/855256459.db2.gz COQIOZVETFJRCT-OAGGEKHMSA-N 2 1 359.536 0.732 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)CC1 ZINC001218550956 855438586 /nfs/dbraw/zinc/43/85/86/855438586.db2.gz WIDVRVPZWSNBFB-DLBZAZTESA-N 2 1 351.491 0.809 20 0 FCADMP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)CC1 ZINC001218550956 855438592 /nfs/dbraw/zinc/43/85/92/855438592.db2.gz WIDVRVPZWSNBFB-DLBZAZTESA-N 2 1 351.491 0.809 20 0 FCADMP O=C(Nc1n[nH]c2ncc(Br)cc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218563180 855439206 /nfs/dbraw/zinc/43/92/06/855439206.db2.gz FOSYCZRRBSHWQO-XLKFXECMSA-N 2 1 365.235 0.858 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21)[NH+](CC)CC ZINC001218623566 855452892 /nfs/dbraw/zinc/45/28/92/855452892.db2.gz BMVXQPKLCOJDPW-YESZJQIVSA-N 2 1 357.495 0.027 20 0 FCADMP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21)[NH+](CC)CC ZINC001218623566 855452895 /nfs/dbraw/zinc/45/28/95/855452895.db2.gz BMVXQPKLCOJDPW-YESZJQIVSA-N 2 1 357.495 0.027 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631031 855454298 /nfs/dbraw/zinc/45/42/98/855454298.db2.gz PNYUFTUATSLDOK-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631031 855454305 /nfs/dbraw/zinc/45/43/05/855454305.db2.gz PNYUFTUATSLDOK-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631031 855454311 /nfs/dbraw/zinc/45/43/11/855454311.db2.gz PNYUFTUATSLDOK-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001218631031 855454318 /nfs/dbraw/zinc/45/43/18/855454318.db2.gz PNYUFTUATSLDOK-RYQLBKOJSA-N 2 1 351.491 0.666 20 0 FCADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 ZINC001218927814 855497742 /nfs/dbraw/zinc/49/77/42/855497742.db2.gz LEECHPCOFKZSTG-CQSZACIVSA-N 2 1 350.444 0.134 20 0 FCADMP CC/C=C/CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042259 855523411 /nfs/dbraw/zinc/52/34/11/855523411.db2.gz AOFUMPVRPSXQJW-YSEKLJNJSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C/CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219042259 855523413 /nfs/dbraw/zinc/52/34/13/855523413.db2.gz AOFUMPVRPSXQJW-YSEKLJNJSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219042259 855523416 /nfs/dbraw/zinc/52/34/16/855523416.db2.gz AOFUMPVRPSXQJW-YSEKLJNJSA-N 2 1 351.491 0.975 20 0 FCADMP CC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219042259 855523417 /nfs/dbraw/zinc/52/34/17/855523417.db2.gz AOFUMPVRPSXQJW-YSEKLJNJSA-N 2 1 351.491 0.975 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCOC)C[C@@H]32)C1 ZINC001219043844 855524147 /nfs/dbraw/zinc/52/41/47/855524147.db2.gz KUQSJQSRGIVUDY-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCCOC)C[C@@H]32)C1 ZINC001219043844 855524150 /nfs/dbraw/zinc/52/41/50/855524150.db2.gz KUQSJQSRGIVUDY-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCCOC)C[C@@H]32)C1 ZINC001219043844 855524152 /nfs/dbraw/zinc/52/41/52/855524152.db2.gz KUQSJQSRGIVUDY-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCCOC)C[C@@H]32)C1 ZINC001219043844 855524154 /nfs/dbraw/zinc/52/41/54/855524154.db2.gz KUQSJQSRGIVUDY-BBWFWOEESA-N 2 1 355.479 0.045 20 0 FCADMP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634911 855746710 /nfs/dbraw/zinc/74/67/10/855746710.db2.gz KDNQDFOARNORNE-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634911 855746714 /nfs/dbraw/zinc/74/67/14/855746714.db2.gz KDNQDFOARNORNE-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634911 855746718 /nfs/dbraw/zinc/74/67/18/855746718.db2.gz KDNQDFOARNORNE-NXHRZFHOSA-N 2 1 353.507 0.839 20 0 FCADMP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)s1 ZINC001219803648 855821551 /nfs/dbraw/zinc/82/15/51/855821551.db2.gz BYALAUKODFROBN-YCPHGPKFSA-N 2 1 352.504 0.761 20 0 FCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)s1 ZINC001219803648 855821556 /nfs/dbraw/zinc/82/15/56/855821556.db2.gz BYALAUKODFROBN-YCPHGPKFSA-N 2 1 352.504 0.761 20 0 FCADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877401 855857863 /nfs/dbraw/zinc/85/78/63/855857863.db2.gz DJPDOSZCDHZIIU-SJORKVTESA-N 2 1 355.523 0.942 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919713 855878721 /nfs/dbraw/zinc/87/87/21/855878721.db2.gz KGGPITHYMWEABQ-SJORKVTESA-N 2 1 350.463 0.496 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057844 855937697 /nfs/dbraw/zinc/93/76/97/855937697.db2.gz IRUNZOIVIVFGDV-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057844 855937702 /nfs/dbraw/zinc/93/77/02/855937702.db2.gz IRUNZOIVIVFGDV-SQNIBIBYSA-N 2 1 353.507 0.695 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220064276 855940560 /nfs/dbraw/zinc/94/05/60/855940560.db2.gz YLSLOFCSDYXGNV-CABCVRRESA-N 2 1 356.511 0.626 20 0 FCADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)COC1(C)C ZINC001220064032 855941082 /nfs/dbraw/zinc/94/10/82/855941082.db2.gz NTZIOSKSEYCCDU-KKUMJFAQSA-N 2 1 354.495 0.678 20 0 FCADMP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072376 855947117 /nfs/dbraw/zinc/94/71/17/855947117.db2.gz SHEGOMFUWBIPOH-BBWFWOEESA-N 2 1 355.523 0.821 20 0 FCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001220160347 855988113 /nfs/dbraw/zinc/98/81/13/855988113.db2.gz YDJULALIJGJYHQ-KKUMJFAQSA-N 2 1 354.495 0.330 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224307 856019620 /nfs/dbraw/zinc/01/96/20/856019620.db2.gz IHBBGRKTLVVCBK-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224307 856019625 /nfs/dbraw/zinc/01/96/25/856019625.db2.gz IHBBGRKTLVVCBK-UAGQMJEPSA-N 2 1 350.463 0.342 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220238085 856026266 /nfs/dbraw/zinc/02/62/66/856026266.db2.gz LWIDFAQDHSOBCL-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220238085 856026274 /nfs/dbraw/zinc/02/62/74/856026274.db2.gz LWIDFAQDHSOBCL-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482460 856148699 /nfs/dbraw/zinc/14/86/99/856148699.db2.gz TXIQIMVQBJDVAD-CVEARBPZSA-N 2 1 352.479 0.985 20 0 FCADMP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482460 856148703 /nfs/dbraw/zinc/14/87/03/856148703.db2.gz TXIQIMVQBJDVAD-CVEARBPZSA-N 2 1 352.479 0.985 20 0 FCADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517163 856163767 /nfs/dbraw/zinc/16/37/67/856163767.db2.gz ZBUDEGVSVINBND-SJORKVTESA-N 2 1 351.495 0.800 20 0 FCADMP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001220547697 856178113 /nfs/dbraw/zinc/17/81/13/856178113.db2.gz CIFYODOXOMMIMU-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001220547697 856178119 /nfs/dbraw/zinc/17/81/19/856178119.db2.gz CIFYODOXOMMIMU-BBWFWOEESA-N 2 1 357.495 0.075 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220553152 856181349 /nfs/dbraw/zinc/18/13/49/856181349.db2.gz ANDQVYBUSZAFIU-KFWWJZLASA-N 2 1 361.433 0.305 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220553152 856181353 /nfs/dbraw/zinc/18/13/53/856181353.db2.gz ANDQVYBUSZAFIU-KFWWJZLASA-N 2 1 361.433 0.305 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)C(C)C ZINC001220575336 856190851 /nfs/dbraw/zinc/19/08/51/856190851.db2.gz SPZYBWKTABZUIN-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)C(C)C ZINC001220575336 856190854 /nfs/dbraw/zinc/19/08/54/856190854.db2.gz SPZYBWKTABZUIN-FGTMMUONSA-N 2 1 355.523 0.941 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)CC1 ZINC001220643208 856216454 /nfs/dbraw/zinc/21/64/54/856216454.db2.gz VEOSFVABIIUTHK-SJORKVTESA-N 2 1 353.507 0.695 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220807589 856310342 /nfs/dbraw/zinc/31/03/42/856310342.db2.gz YDHDJDYPXWEXGF-SJORKVTESA-N 2 1 351.495 0.339 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220831141 856329780 /nfs/dbraw/zinc/32/97/80/856329780.db2.gz QCMBDUYQRMTCIK-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220831141 856329786 /nfs/dbraw/zinc/32/97/86/856329786.db2.gz QCMBDUYQRMTCIK-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220831141 856329797 /nfs/dbraw/zinc/32/97/97/856329797.db2.gz QCMBDUYQRMTCIK-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220831141 856329805 /nfs/dbraw/zinc/32/98/05/856329805.db2.gz QCMBDUYQRMTCIK-ZACQAIPSSA-N 2 1 357.495 0.075 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O ZINC001220986220 856409073 /nfs/dbraw/zinc/40/90/73/856409073.db2.gz WSZVZIVJURNOHF-JQHSSLGASA-N 2 1 353.507 0.696 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001221081254 856452462 /nfs/dbraw/zinc/45/24/62/856452462.db2.gz IMAPXYYAAKCLOM-QLFBSQMISA-N 2 1 361.433 0.448 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001221081254 856452471 /nfs/dbraw/zinc/45/24/71/856452471.db2.gz IMAPXYYAAKCLOM-QLFBSQMISA-N 2 1 361.433 0.448 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081815 856454026 /nfs/dbraw/zinc/45/40/26/856454026.db2.gz UQAUNCYANHVTEK-HIEASXQVSA-N 2 1 353.507 0.839 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091214 856457551 /nfs/dbraw/zinc/45/75/51/856457551.db2.gz GBLPIMHBVRQKKM-FGTMMUONSA-N 2 1 353.507 0.695 20 0 FCADMP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001221357088 856554813 /nfs/dbraw/zinc/55/48/13/856554813.db2.gz GMWDTSLVORTRCO-LSDHHAIUSA-N 2 1 354.495 0.189 20 0 FCADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(Cl)cc1 ZINC001221414108 856560306 /nfs/dbraw/zinc/56/03/06/856560306.db2.gz SJEOTCNUSWVKEW-JYJNAYRXSA-N 2 1 355.866 0.798 20 0 FCADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627696 856628166 /nfs/dbraw/zinc/62/81/66/856628166.db2.gz SAYUYYARRWZXRP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627696 856628175 /nfs/dbraw/zinc/62/81/75/856628175.db2.gz SAYUYYARRWZXRP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627696 856628185 /nfs/dbraw/zinc/62/81/85/856628185.db2.gz SAYUYYARRWZXRP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627696 856628190 /nfs/dbraw/zinc/62/81/90/856628190.db2.gz SAYUYYARRWZXRP-BRWVUGGUSA-N 2 1 350.507 0.872 20 0 FCADMP COCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001221644386 856636485 /nfs/dbraw/zinc/63/64/85/856636485.db2.gz HASMMXYHJIDBGQ-IAGOWNOFSA-N 2 1 353.507 0.914 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656992 856642705 /nfs/dbraw/zinc/64/27/05/856642705.db2.gz FDIVQEKZVYTLBJ-HZSPNIEDSA-N 2 1 350.463 0.055 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656992 856642710 /nfs/dbraw/zinc/64/27/10/856642710.db2.gz FDIVQEKZVYTLBJ-HZSPNIEDSA-N 2 1 350.463 0.055 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656992 856642714 /nfs/dbraw/zinc/64/27/14/856642714.db2.gz FDIVQEKZVYTLBJ-HZSPNIEDSA-N 2 1 350.463 0.055 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221656992 856642719 /nfs/dbraw/zinc/64/27/19/856642719.db2.gz FDIVQEKZVYTLBJ-HZSPNIEDSA-N 2 1 350.463 0.055 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714238 856662331 /nfs/dbraw/zinc/66/23/31/856662331.db2.gz UORPIZYSDYNECM-IXDOHACOSA-N 2 1 353.507 0.791 20 0 FCADMP CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772264 856676852 /nfs/dbraw/zinc/67/68/52/856676852.db2.gz RHADJYUHBRCMEC-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772264 856676857 /nfs/dbraw/zinc/67/68/57/856676857.db2.gz RHADJYUHBRCMEC-BZUAXINKSA-N 2 1 350.507 0.905 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001221791321 856685348 /nfs/dbraw/zinc/68/53/48/856685348.db2.gz GACBHQIHEKJFNA-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC001221791321 856685355 /nfs/dbraw/zinc/68/53/55/856685355.db2.gz GACBHQIHEKJFNA-OWCLPIDISA-N 2 1 350.507 0.870 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221791595 856685838 /nfs/dbraw/zinc/68/58/38/856685838.db2.gz UPYSFNIMNMNDNQ-HZSPNIEDSA-N 2 1 367.412 0.411 20 0 FCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950360 856745669 /nfs/dbraw/zinc/74/56/69/856745669.db2.gz DLFFFDSTZYUPRJ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950360 856745678 /nfs/dbraw/zinc/74/56/78/856745678.db2.gz DLFFFDSTZYUPRJ-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP O=C(N1C[C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949900 856746065 /nfs/dbraw/zinc/74/60/65/856746065.db2.gz MFTLORWWQPUOMS-MGPQQGTHSA-N 2 1 361.408 0.928 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221962471 856750158 /nfs/dbraw/zinc/75/01/58/856750158.db2.gz FPZCLWYTUYPSSB-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221962471 856750167 /nfs/dbraw/zinc/75/01/67/856750167.db2.gz FPZCLWYTUYPSSB-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221962376 856750443 /nfs/dbraw/zinc/75/04/43/856750443.db2.gz AFTAWEQHOAJEOV-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221962376 856750462 /nfs/dbraw/zinc/75/04/62/856750462.db2.gz AFTAWEQHOAJEOV-GVDBMIGSSA-N 2 1 371.547 0.686 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054258 856788380 /nfs/dbraw/zinc/78/83/80/856788380.db2.gz JEDZUFGRRHBRGP-FGTMMUONSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222054258 856788391 /nfs/dbraw/zinc/78/83/91/856788391.db2.gz JEDZUFGRRHBRGP-FGTMMUONSA-N 2 1 355.523 0.893 20 0 FCADMP CC(C)COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222054258 856788404 /nfs/dbraw/zinc/78/84/04/856788404.db2.gz JEDZUFGRRHBRGP-FGTMMUONSA-N 2 1 355.523 0.893 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223022699 856890629 /nfs/dbraw/zinc/89/06/29/856890629.db2.gz BZDJPEMCNMWUHV-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223022699 856890632 /nfs/dbraw/zinc/89/06/32/856890632.db2.gz BZDJPEMCNMWUHV-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223022699 856890637 /nfs/dbraw/zinc/89/06/37/856890637.db2.gz BZDJPEMCNMWUHV-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223022699 856890642 /nfs/dbraw/zinc/89/06/42/856890642.db2.gz BZDJPEMCNMWUHV-ZBFHGGJFSA-N 2 1 350.507 0.918 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245535 856903249 /nfs/dbraw/zinc/90/32/49/856903249.db2.gz DPXVCJUICQUCTJ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245535 856903258 /nfs/dbraw/zinc/90/32/58/856903258.db2.gz DPXVCJUICQUCTJ-CVEARBPZSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001223248007 856905527 /nfs/dbraw/zinc/90/55/27/856905527.db2.gz ATUFNKHVXKZFKV-RHSMWYFYSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505418 856921698 /nfs/dbraw/zinc/92/16/98/856921698.db2.gz AWGCNFWMBLQZON-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505418 856921704 /nfs/dbraw/zinc/92/17/04/856921704.db2.gz AWGCNFWMBLQZON-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505418 856921710 /nfs/dbraw/zinc/92/17/10/856921710.db2.gz AWGCNFWMBLQZON-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)C1 ZINC001223505418 856921715 /nfs/dbraw/zinc/92/17/15/856921715.db2.gz AWGCNFWMBLQZON-ZACQAIPSSA-N 2 1 371.547 0.686 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505422 856922093 /nfs/dbraw/zinc/92/20/93/856922093.db2.gz BAIHDVIRVZUELX-ZACQAIPSSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505422 856922095 /nfs/dbraw/zinc/92/20/95/856922095.db2.gz BAIHDVIRVZUELX-ZACQAIPSSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505422 856922101 /nfs/dbraw/zinc/92/21/01/856922101.db2.gz BAIHDVIRVZUELX-ZACQAIPSSA-N 2 1 353.507 0.648 20 0 FCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522009 856923485 /nfs/dbraw/zinc/92/34/85/856923485.db2.gz KUZNTCYUKCXPOT-IKGGRYGDSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522009 856923497 /nfs/dbraw/zinc/92/34/97/856923497.db2.gz KUZNTCYUKCXPOT-IKGGRYGDSA-N 2 1 355.523 0.894 20 0 FCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522009 856923510 /nfs/dbraw/zinc/92/35/10/856923510.db2.gz KUZNTCYUKCXPOT-IKGGRYGDSA-N 2 1 355.523 0.894 20 0 FCADMP C[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21 ZINC001223684612 856938481 /nfs/dbraw/zinc/93/84/81/856938481.db2.gz USXMQQYDCXBQRX-KSZLIROESA-N 2 1 353.507 0.793 20 0 FCADMP C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21 ZINC001223684612 856938490 /nfs/dbraw/zinc/93/84/90/856938490.db2.gz USXMQQYDCXBQRX-KSZLIROESA-N 2 1 353.507 0.793 20 0 FCADMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223846910 856946331 /nfs/dbraw/zinc/94/63/31/856946331.db2.gz UHRXXHDPOGAFHK-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223846910 856946344 /nfs/dbraw/zinc/94/63/44/856946344.db2.gz UHRXXHDPOGAFHK-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223846910 856946354 /nfs/dbraw/zinc/94/63/54/856946354.db2.gz UHRXXHDPOGAFHK-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223846910 856946358 /nfs/dbraw/zinc/94/63/58/856946358.db2.gz UHRXXHDPOGAFHK-CVEARBPZSA-N 2 1 359.536 0.686 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223911238 856950067 /nfs/dbraw/zinc/95/00/67/856950067.db2.gz BLAOBDGFDILADE-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223911238 856950074 /nfs/dbraw/zinc/95/00/74/856950074.db2.gz BLAOBDGFDILADE-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223911238 856950085 /nfs/dbraw/zinc/95/00/85/856950085.db2.gz BLAOBDGFDILADE-BBWFWOEESA-N 2 1 350.507 0.776 20 0 FCADMP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916435 856951134 /nfs/dbraw/zinc/95/11/34/856951134.db2.gz IDQLCUKRPVLIIE-SJORKVTESA-N 2 1 357.495 0.150 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)F)C1 ZINC001225526097 857047624 /nfs/dbraw/zinc/04/76/24/857047624.db2.gz XIHVPNRJHWBNPP-MGPQQGTHSA-N 2 1 367.412 0.913 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)F)C1 ZINC001225526097 857047627 /nfs/dbraw/zinc/04/76/27/857047627.db2.gz XIHVPNRJHWBNPP-MGPQQGTHSA-N 2 1 367.412 0.913 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC001226333041 857097576 /nfs/dbraw/zinc/09/75/76/857097576.db2.gz FHAIMBUJBNEIND-KLHDSHLOSA-N 2 1 359.536 0.778 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211674 857148811 /nfs/dbraw/zinc/14/88/11/857148811.db2.gz JCSGUBFVQJZZCG-BPLDGKMQSA-N 2 1 354.451 0.374 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229504249 857272473 /nfs/dbraw/zinc/27/24/73/857272473.db2.gz SASKJDLDTCWWLQ-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229495206 857272913 /nfs/dbraw/zinc/27/29/13/857272913.db2.gz CGBKEIDIBLESKW-BRWVUGGUSA-N 2 1 351.495 0.603 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229523780 857273256 /nfs/dbraw/zinc/27/32/56/857273256.db2.gz KFJFDKMINOSDLR-BZUAXINKSA-N 2 1 359.536 0.780 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229517244 857273591 /nfs/dbraw/zinc/27/35/91/857273591.db2.gz WQNOXOQDKXWYHD-HUUCEWRRSA-N 2 1 362.540 0.237 20 0 FCADMP CON1CCC(NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC001230204963 857313843 /nfs/dbraw/zinc/31/38/43/857313843.db2.gz ISZPRQAQHLCUKZ-KRWDZBQOSA-N 2 1 353.511 0.822 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)C)C1 ZINC001230215341 857314810 /nfs/dbraw/zinc/31/48/10/857314810.db2.gz NFKKENKQDMSBOA-BZUAXINKSA-N 2 1 354.495 0.249 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)C)C1 ZINC001230215341 857314813 /nfs/dbraw/zinc/31/48/13/857314813.db2.gz NFKKENKQDMSBOA-BZUAXINKSA-N 2 1 354.495 0.249 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@H]1[C@@H](C)CNCC1(F)F)C2 ZINC001235331745 857422135 /nfs/dbraw/zinc/42/21/35/857422135.db2.gz YCLQQFRRRNLAJM-CXKHLATESA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331745 857422140 /nfs/dbraw/zinc/42/21/40/857422140.db2.gz YCLQQFRRRNLAJM-CXKHLATESA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331745 857422148 /nfs/dbraw/zinc/42/21/48/857422148.db2.gz YCLQQFRRRNLAJM-CXKHLATESA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)C2 ZINC001235331748 857422450 /nfs/dbraw/zinc/42/24/50/857422450.db2.gz YCLQQFRRRNLAJM-RPCDLPGOSA-N 2 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331748 857422456 /nfs/dbraw/zinc/42/24/56/857422456.db2.gz YCLQQFRRRNLAJM-RPCDLPGOSA-N 3 1 357.445 0.808 20 0 FCADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)C2 ZINC001235331748 857422460 /nfs/dbraw/zinc/42/24/60/857422460.db2.gz YCLQQFRRRNLAJM-RPCDLPGOSA-N 3 1 357.445 0.808 20 0 FCADMP [NH3+]CCCC[N@H+]1CCOC[C@@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC001235511503 857426645 /nfs/dbraw/zinc/42/66/45/857426645.db2.gz SGRWNWZLZLEISU-SFHVURJKSA-N 2 1 351.422 0.999 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)O1 ZINC001235580320 857429257 /nfs/dbraw/zinc/42/92/57/857429257.db2.gz HKKPSEOVEJQIEV-JHNDHUHGSA-N 2 1 351.491 0.964 20 0 FCADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)O1 ZINC001235580320 857429261 /nfs/dbraw/zinc/42/92/61/857429261.db2.gz HKKPSEOVEJQIEV-JHNDHUHGSA-N 2 1 351.491 0.964 20 0 FCADMP [NH3+]CCCC[N@H+]1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC001235628067 857430410 /nfs/dbraw/zinc/43/04/10/857430410.db2.gz DMUHCVPVQRQPJY-SFHVURJKSA-N 2 1 351.422 0.999 20 0 FCADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(O)c(Cl)c(F)c1F ZINC001236318084 857440639 /nfs/dbraw/zinc/44/06/39/857440639.db2.gz ZQPBWKBQYWPUHI-UHFFFAOYSA-N 2 1 364.824 0.940 20 0 FCADMP COc1ccoc1CN1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001237866249 857458729 /nfs/dbraw/zinc/45/87/29/857458729.db2.gz PVWKVYPNCWPOBI-GDBMZVCRSA-N 2 1 351.447 0.899 20 0 FCADMP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001239076905 857505903 /nfs/dbraw/zinc/50/59/03/857505903.db2.gz HVXXLWGXKRPEEA-CALCHBBNSA-N 2 1 364.515 0.775 20 0 FCADMP O=C([C@@H]1C[C@@H](NC2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246139134 857569629 /nfs/dbraw/zinc/56/96/29/857569629.db2.gz RWKZKXLMIRPOCC-WBVHZDCISA-N 3 1 367.563 0.056 20 0 FCADMP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246736020 857595749 /nfs/dbraw/zinc/59/57/49/857595749.db2.gz LZKMZHQLLGINSQ-NCOADZHNSA-N 2 1 350.507 0.190 20 0 FCADMP CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750344 857596962 /nfs/dbraw/zinc/59/69/62/857596962.db2.gz ULVOKBKNYGEWQD-VQIMIIECSA-N 2 1 350.507 0.430 20 0 FCADMP C[C@H]1C[C@@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246745368 857597566 /nfs/dbraw/zinc/59/75/66/857597566.db2.gz HGTQCYZLJOYIEI-BMFAXAFESA-N 2 1 351.491 0.999 20 0 FCADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752855 857598206 /nfs/dbraw/zinc/59/82/06/857598206.db2.gz JSXSKXYGEWJCGN-TZNCUMHOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752855 857598218 /nfs/dbraw/zinc/59/82/18/857598218.db2.gz JSXSKXYGEWJCGN-TZNCUMHOSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752856 857598263 /nfs/dbraw/zinc/59/82/63/857598263.db2.gz JSXSKXYGEWJCGN-ZKXLYKBJSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)C[NH2+]1 ZINC001246752856 857598266 /nfs/dbraw/zinc/59/82/66/857598266.db2.gz JSXSKXYGEWJCGN-ZKXLYKBJSA-N 2 1 351.491 0.713 20 0 FCADMP C[C@H]1CC[C@@H](N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C[NH2+]1 ZINC001246754166 857599013 /nfs/dbraw/zinc/59/90/13/857599013.db2.gz SSAMNRAJZUURBX-DLBZAZTESA-N 2 1 352.523 0.630 20 0 FCADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246761259 857599750 /nfs/dbraw/zinc/59/97/50/857599750.db2.gz NGJKNGBDAMXXJA-MJQMVNBJSA-N 2 1 351.491 0.570 20 0 FCADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246761259 857599757 /nfs/dbraw/zinc/59/97/57/857599757.db2.gz NGJKNGBDAMXXJA-MJQMVNBJSA-N 2 1 351.491 0.570 20 0 FCADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246860194 857604645 /nfs/dbraw/zinc/60/46/45/857604645.db2.gz UIRCVXNOMFDWQC-FDQIELQPSA-N 2 1 351.491 0.964 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246976363 857607945 /nfs/dbraw/zinc/60/79/45/857607945.db2.gz OHQSMRDXIZOHOQ-MXXDBUIKSA-N 3 1 350.507 0.556 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)N2 ZINC001246976363 857607947 /nfs/dbraw/zinc/60/79/47/857607947.db2.gz OHQSMRDXIZOHOQ-MXXDBUIKSA-N 2 1 350.507 0.556 20 0 FCADMP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)C[C@H](C1)N2 ZINC001246976363 857607948 /nfs/dbraw/zinc/60/79/48/857607948.db2.gz OHQSMRDXIZOHOQ-MXXDBUIKSA-N 2 1 350.507 0.556 20 0 FCADMP CC[C@@]1(C(=O)OC)C[C@@H](N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC001246985902 857609032 /nfs/dbraw/zinc/60/90/32/857609032.db2.gz AQWUJSKHTKUVLZ-MJGOQNOKSA-N 3 1 352.523 0.818 20 0 FCADMP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001251339892 857717666 /nfs/dbraw/zinc/71/76/66/857717666.db2.gz IHPUXAYRAFEITG-GOSISDBHSA-N 2 1 357.495 0.795 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)CCC1=O ZINC001251930345 857769073 /nfs/dbraw/zinc/76/90/73/857769073.db2.gz QKJRTQMXOOZXMQ-MRXNPFEDSA-N 2 1 353.438 0.661 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)CCC1=O ZINC001251930345 857769082 /nfs/dbraw/zinc/76/90/82/857769082.db2.gz QKJRTQMXOOZXMQ-MRXNPFEDSA-N 2 1 353.438 0.661 20 0 FCADMP CCOC[C@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001252040361 857779662 /nfs/dbraw/zinc/77/96/62/857779662.db2.gz CCEPPMYHFYQLBZ-OWCLPIDISA-N 2 1 357.495 0.915 20 0 FCADMP CCOC[C@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001252040361 857779667 /nfs/dbraw/zinc/77/96/67/857779667.db2.gz CCEPPMYHFYQLBZ-OWCLPIDISA-N 2 1 357.495 0.915 20 0 FCADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C[C@H](O)CO)CC2 ZINC001252058573 857781707 /nfs/dbraw/zinc/78/17/07/857781707.db2.gz DPVNOTVQZDANQG-MSOLQXFVSA-N 2 1 356.507 0.569 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001252416573 857800996 /nfs/dbraw/zinc/80/09/96/857800996.db2.gz ZTKDQDOLWUEXCC-OAHLLOKOSA-N 2 1 354.472 0.949 20 0 FCADMP COC(=O)[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001252416573 857801000 /nfs/dbraw/zinc/80/10/00/857801000.db2.gz ZTKDQDOLWUEXCC-OAHLLOKOSA-N 2 1 354.472 0.949 20 0 FCADMP C[N@H+]1CCCN(CC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253167041 857868340 /nfs/dbraw/zinc/86/83/40/857868340.db2.gz DMVUYUAFAZGRLO-GOSISDBHSA-N 2 1 351.491 0.188 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001253184334 857868856 /nfs/dbraw/zinc/86/88/56/857868856.db2.gz DXKFXPYUOUQILE-TVFCKZIOSA-N 2 1 355.523 0.798 20 0 FCADMP CCN1CC2(CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2)[C@H](COC)C1=O ZINC001253186532 857870333 /nfs/dbraw/zinc/87/03/33/857870333.db2.gz PMYDLIQFBZPUJN-DLBZAZTESA-N 2 1 355.523 0.896 20 0 FCADMP COC(CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2)OC ZINC001279585637 862969067 /nfs/dbraw/zinc/96/90/67/862969067.db2.gz NIYNWMVCGXNOAS-XHSDSOJGSA-N 2 1 353.463 0.001 20 0 FCADMP Cn1cc[nH+]c1N([C@H]1CCS(=O)(=O)C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001254332582 857960202 /nfs/dbraw/zinc/96/02/02/857960202.db2.gz REPRZYKDIPCELM-KBPBESRZSA-N 2 1 354.476 0.325 20 0 FCADMP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522731 857977307 /nfs/dbraw/zinc/97/73/07/857977307.db2.gz PPCHDHLJLNKVQX-HZMVEIRTSA-N 2 1 359.536 0.889 20 0 FCADMP C[N@H+]1CC[C@@H](N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)C1 ZINC001255432124 858010881 /nfs/dbraw/zinc/01/08/81/858010881.db2.gz PJLHIZUZGFLXIZ-BFYDXBDKSA-N 2 1 357.520 0.786 20 0 FCADMP CCOC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001256039483 858050073 /nfs/dbraw/zinc/05/00/73/858050073.db2.gz JQUWYYMKEOCRNG-INIZCTEOSA-N 2 1 352.479 0.703 20 0 FCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCC([NH+]2CCOCC2)CC1 ZINC001256680114 858095669 /nfs/dbraw/zinc/09/56/69/858095669.db2.gz YDHQNMOKZWWNEH-NRXISQOPSA-N 3 1 355.483 0.024 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H]1C ZINC001261525296 858580126 /nfs/dbraw/zinc/58/01/26/858580126.db2.gz ZJHYQUMSIYYMRA-GGXPGOJBSA-N 2 1 350.507 0.905 20 0 FCADMP [NH3+][C@H](C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC001262046812 858765534 /nfs/dbraw/zinc/76/55/34/858765534.db2.gz ZEZZYAQWMYRVHC-ROUUACIJSA-N 2 1 352.523 0.807 20 0 FCADMP CC1([NH3+])CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001262099760 858779913 /nfs/dbraw/zinc/77/99/13/858779913.db2.gz XEYFDTFPGILMDI-INIZCTEOSA-N 2 1 353.511 0.306 20 0 FCADMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC001262214633 858821428 /nfs/dbraw/zinc/82/14/28/858821428.db2.gz WUEZHLOQUIVTLJ-OAHLLOKOSA-N 2 1 351.499 0.704 20 0 FCADMP COC[C@@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001264025675 859281165 /nfs/dbraw/zinc/28/11/65/859281165.db2.gz SCRLDGVMIXQYKO-YRGRVCCFSA-N 2 1 351.451 0.263 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001270176324 859678916 /nfs/dbraw/zinc/67/89/16/859678916.db2.gz XMNWWZNHQIAZFN-UHFFFAOYSA-N 2 1 353.507 0.530 20 0 FCADMP O=C(C[NH+](CCO)CCO)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001270176324 859678926 /nfs/dbraw/zinc/67/89/26/859678926.db2.gz XMNWWZNHQIAZFN-UHFFFAOYSA-N 2 1 353.507 0.530 20 0 FCADMP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001271138353 859903270 /nfs/dbraw/zinc/90/32/70/859903270.db2.gz DDNRIKMIDMPPOT-JKSUJKDBSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC(CC(=O)N2CC[N@@H+](C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001273331789 860455912 /nfs/dbraw/zinc/45/59/12/860455912.db2.gz BLZIRPIHIHSXSZ-LJQANCHMSA-N 2 1 350.507 0.921 20 0 FCADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001273453157 860494136 /nfs/dbraw/zinc/49/41/36/860494136.db2.gz HRALCINMALATLC-JKSUJKDBSA-N 2 1 350.507 0.587 20 0 FCADMP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274204619 860706758 /nfs/dbraw/zinc/70/67/58/860706758.db2.gz WLEOBCOBEJQARA-CABCVRRESA-N 2 1 364.515 0.941 20 0 FCADMP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274204619 860706761 /nfs/dbraw/zinc/70/67/61/860706761.db2.gz WLEOBCOBEJQARA-CABCVRRESA-N 2 1 364.515 0.941 20 0 FCADMP CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001274204940 860706950 /nfs/dbraw/zinc/70/69/50/860706950.db2.gz ZGLIBSBHCYXOAX-UHFFFAOYSA-N 2 1 352.523 0.319 20 0 FCADMP CC(C)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275063365 860926497 /nfs/dbraw/zinc/92/64/97/860926497.db2.gz KWWTZKNVAXLXCI-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)C[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275063365 860926509 /nfs/dbraw/zinc/92/65/09/860926509.db2.gz KWWTZKNVAXLXCI-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP CC(C)C[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275063365 860926519 /nfs/dbraw/zinc/92/65/19/860926519.db2.gz KWWTZKNVAXLXCI-LJQANCHMSA-N 2 1 352.523 0.583 20 0 FCADMP CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCN1C)CC2 ZINC001275175779 860978528 /nfs/dbraw/zinc/97/85/28/860978528.db2.gz DCLJLAJEJRJRLS-QGZVFWFLSA-N 2 1 351.539 0.108 20 0 FCADMP CN(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001275175779 860978544 /nfs/dbraw/zinc/97/85/44/860978544.db2.gz DCLJLAJEJRJRLS-QGZVFWFLSA-N 2 1 351.539 0.108 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001275511925 861117898 /nfs/dbraw/zinc/11/78/98/861117898.db2.gz OBRGFZQDBNGYRR-BZUAXINKSA-N 2 1 350.507 0.918 20 0 FCADMP CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556887 861127706 /nfs/dbraw/zinc/12/77/06/861127706.db2.gz PRXOGOYOXHTVCM-LJQANCHMSA-N 2 1 350.507 0.777 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275557068 861129674 /nfs/dbraw/zinc/12/96/74/861129674.db2.gz UKWFXRTWUIPWOC-SFHVURJKSA-N 2 1 371.547 0.830 20 0 FCADMP CCS(=O)(=O)CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001275557068 861129681 /nfs/dbraw/zinc/12/96/81/861129681.db2.gz UKWFXRTWUIPWOC-SFHVURJKSA-N 2 1 371.547 0.830 20 0 FCADMP COCCOCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738284 861181523 /nfs/dbraw/zinc/18/15/23/861181523.db2.gz XUFMYQULPDEDND-GOSISDBHSA-N 2 1 355.479 0.157 20 0 FCADMP C[NH+]1CCC(CC[N@H+]2CCOC[C@@]3(CC(=O)N(C4COC4)C3)C2)CC1 ZINC001275750150 861189212 /nfs/dbraw/zinc/18/92/12/861189212.db2.gz FDMPZQKZVREBEU-IBGZPJMESA-N 2 1 351.491 0.668 20 0 FCADMP C[NH+](C)CCNC(=S)N1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279975593 863161607 /nfs/dbraw/zinc/16/16/07/863161607.db2.gz LERRLHLAMRQCAL-CALCHBBNSA-N 2 1 364.563 0.963 20 0 FCADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=S)NCC[NH+](C)C)n(C)n1 ZINC001279975543 863161741 /nfs/dbraw/zinc/16/17/41/863161741.db2.gz JVGPLBMCIMVFSE-HOTGVXAUSA-N 2 1 350.536 0.813 20 0 FCADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=S)NCC[NH+](C)C)n(C)n1 ZINC001279975543 863161746 /nfs/dbraw/zinc/16/17/46/863161746.db2.gz JVGPLBMCIMVFSE-HOTGVXAUSA-N 2 1 350.536 0.813 20 0 FCADMP COCCOC[N@@H+]1CC[C@H]2CN(C(=S)NCC[NH+](C)C)C[C@H]2CC1 ZINC001279976180 863162763 /nfs/dbraw/zinc/16/27/63/863162763.db2.gz ZBKQZEIPFYQIQQ-IYBDPMFKSA-N 2 1 358.552 0.687 20 0 FCADMP COC[C@@H](C(=O)OC)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001280053682 863222420 /nfs/dbraw/zinc/22/24/20/863222420.db2.gz OHZRNOFTOVQBAV-INIZCTEOSA-N 2 1 350.463 0.859 20 0 FCADMP COC(C)(C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280056979 863227904 /nfs/dbraw/zinc/22/79/04/863227904.db2.gz VUYLEUXMFXLECB-HZPDHXFCSA-N 2 1 352.523 0.485 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280137565 863289192 /nfs/dbraw/zinc/28/91/92/863289192.db2.gz KVUKBTGBFINDHL-APWZRJJASA-N 2 1 350.507 0.683 20 0 FCADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[C@@H](C(=O)NCC2COC2)O3)CC1 ZINC001280251600 863363185 /nfs/dbraw/zinc/36/31/85/863363185.db2.gz ZGNFIITXDORDPI-KRWDZBQOSA-N 2 1 351.491 0.714 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280262099 863368210 /nfs/dbraw/zinc/36/82/10/863368210.db2.gz XXPKJZYHGVUQFT-GJZGRUSLSA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280262099 863368215 /nfs/dbraw/zinc/36/82/15/863368215.db2.gz XXPKJZYHGVUQFT-GJZGRUSLSA-N 2 1 368.547 0.340 20 0 FCADMP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280262099 863368230 /nfs/dbraw/zinc/36/82/30/863368230.db2.gz XXPKJZYHGVUQFT-GJZGRUSLSA-N 2 1 368.547 0.340 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3cnsn3)CC2)CC[N@@H+]1C ZINC001281613649 863539611 /nfs/dbraw/zinc/53/96/11/863539611.db2.gz QEEIRTMFBAKBRZ-TZMCWYRMSA-N 2 1 353.492 0.321 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]Cc3cnsn3)CC2)CC[N@H+]1C ZINC001281613649 863539623 /nfs/dbraw/zinc/53/96/23/863539623.db2.gz QEEIRTMFBAKBRZ-TZMCWYRMSA-N 2 1 353.492 0.321 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCCC2)CC[N@H+]1C ZINC001285115988 864610349 /nfs/dbraw/zinc/61/03/49/864610349.db2.gz NUTJBYOAGSAAEQ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)CC[NH+]1C ZINC001285115988 864610353 /nfs/dbraw/zinc/61/03/53/864610353.db2.gz NUTJBYOAGSAAEQ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)CC[NH+]1C ZINC001285115988 864610356 /nfs/dbraw/zinc/61/03/56/864610356.db2.gz NUTJBYOAGSAAEQ-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001285934676 864657076 /nfs/dbraw/zinc/65/70/76/864657076.db2.gz OQYXUVAKOUXMQJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001285934676 864657085 /nfs/dbraw/zinc/65/70/85/864657085.db2.gz OQYXUVAKOUXMQJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001285934676 864657093 /nfs/dbraw/zinc/65/70/93/864657093.db2.gz OQYXUVAKOUXMQJ-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001289507430 865107838 /nfs/dbraw/zinc/10/78/38/865107838.db2.gz SJAACFMKSXFZIY-OWCLPIDISA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC001350018644 866491701 /nfs/dbraw/zinc/49/17/01/866491701.db2.gz FFSBKQNSCSJMSE-SGMGOOAPSA-N 2 1 350.488 0.464 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC001350018644 866491715 /nfs/dbraw/zinc/49/17/15/866491715.db2.gz FFSBKQNSCSJMSE-SGMGOOAPSA-N 2 1 350.488 0.464 20 0 FCADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC001312009062 867133704 /nfs/dbraw/zinc/13/37/04/867133704.db2.gz FMWQIRCSVIESEA-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001312009062 867133713 /nfs/dbraw/zinc/13/37/13/867133713.db2.gz FMWQIRCSVIESEA-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC001312009062 867133722 /nfs/dbraw/zinc/13/37/22/867133722.db2.gz FMWQIRCSVIESEA-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001353464266 867428962 /nfs/dbraw/zinc/42/89/62/867428962.db2.gz GWSOATPPPHSKJA-SFHVURJKSA-N 2 1 351.495 0.326 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H](O)C(=O)OC)CC2)CC1 ZINC001353509987 867440395 /nfs/dbraw/zinc/44/03/95/867440395.db2.gz GADWAHNTAZNHLX-INIZCTEOSA-N 2 1 355.479 0.223 20 0 FCADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[N@H+]1CCOC ZINC001354157353 867555953 /nfs/dbraw/zinc/55/59/53/867555953.db2.gz BNKJQTHMTXXJAZ-HZPDHXFCSA-N 2 1 354.495 0.143 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CCCN1CC[NH+](C)CC1 ZINC001354317325 867580407 /nfs/dbraw/zinc/58/04/07/867580407.db2.gz WWAXSOLWFBDVTC-INIZCTEOSA-N 2 1 350.515 0.231 20 0 FCADMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CCC[NH+]1CCN(C)CC1 ZINC001354317325 867580425 /nfs/dbraw/zinc/58/04/25/867580425.db2.gz WWAXSOLWFBDVTC-INIZCTEOSA-N 2 1 350.515 0.231 20 0 FCADMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CCC[NH+]1CCN(C)CC1 ZINC001354317325 867580443 /nfs/dbraw/zinc/58/04/43/867580443.db2.gz WWAXSOLWFBDVTC-INIZCTEOSA-N 2 1 350.515 0.231 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[NH+](C)C3)CCCC2)CC[N@H+]1C ZINC001356937282 868061175 /nfs/dbraw/zinc/06/11/75/868061175.db2.gz DWTAFPYXMUOIPC-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)CC[NH+]1C ZINC001356937282 868061182 /nfs/dbraw/zinc/06/11/82/868061182.db2.gz DWTAFPYXMUOIPC-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)CC[NH+]1C ZINC001356937282 868061188 /nfs/dbraw/zinc/06/11/88/868061188.db2.gz DWTAFPYXMUOIPC-BZUAXINKSA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001358607108 868238294 /nfs/dbraw/zinc/23/82/94/868238294.db2.gz YWXDMIQTYZDHRH-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001358666589 868243461 /nfs/dbraw/zinc/24/34/61/868243461.db2.gz YVWDVKGPWBUZGK-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001358666589 868243474 /nfs/dbraw/zinc/24/34/74/868243474.db2.gz YVWDVKGPWBUZGK-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001358666589 868243490 /nfs/dbraw/zinc/24/34/90/868243490.db2.gz YVWDVKGPWBUZGK-OAGGEKHMSA-N 2 1 350.507 0.964 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725296 868920883 /nfs/dbraw/zinc/92/08/83/868920883.db2.gz SWXUKUCVACDJEL-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725296 868920896 /nfs/dbraw/zinc/92/08/96/868920896.db2.gz SWXUKUCVACDJEL-LSDHHAIUSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725294 868921362 /nfs/dbraw/zinc/92/13/62/868921362.db2.gz SWXUKUCVACDJEL-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725294 868921377 /nfs/dbraw/zinc/92/13/77/868921377.db2.gz SWXUKUCVACDJEL-HUUCEWRRSA-N 2 1 350.507 0.966 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001325515828 869919741 /nfs/dbraw/zinc/91/97/41/869919741.db2.gz LDGFIPUQOFVWQE-ZBFHGGJFSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001325515828 869919747 /nfs/dbraw/zinc/91/97/47/869919747.db2.gz LDGFIPUQOFVWQE-ZBFHGGJFSA-N 2 1 354.495 0.155 20 0 FCADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1(C)C ZINC001326356915 870272276 /nfs/dbraw/zinc/27/22/76/870272276.db2.gz OVHIBVZAGVVKOJ-KSSFIOAISA-N 2 1 354.495 0.188 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001343408118 870410916 /nfs/dbraw/zinc/41/09/16/870410916.db2.gz SVBZJTNCQNQYTN-UHFFFAOYSA-N 2 1 351.495 0.275 20 0 FCADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC001326968838 870595324 /nfs/dbraw/zinc/59/53/24/870595324.db2.gz OKGSLTSCFLLYLU-INIZCTEOSA-N 2 1 350.507 0.873 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001326970477 870597629 /nfs/dbraw/zinc/59/76/29/870597629.db2.gz VSXPJJHHAHNSEH-QGZVFWFLSA-N 2 1 350.507 0.873 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC001343935156 870674671 /nfs/dbraw/zinc/67/46/71/870674671.db2.gz MEFIRSKZVIRQLC-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001343935156 870674676 /nfs/dbraw/zinc/67/46/76/870674676.db2.gz MEFIRSKZVIRQLC-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001343935156 870674686 /nfs/dbraw/zinc/67/46/86/870674686.db2.gz MEFIRSKZVIRQLC-BRWVUGGUSA-N 2 1 350.507 0.729 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327406714 870846874 /nfs/dbraw/zinc/84/68/74/870846874.db2.gz HCBUPWOKDXHSAW-KHYOSLBOSA-N 2 1 350.507 0.810 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001327521019 870920798 /nfs/dbraw/zinc/92/07/98/870920798.db2.gz QYNKRZCSYSIFEP-QWHCGFSZSA-N 2 1 352.504 0.725 20 0 FCADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001327521019 870920809 /nfs/dbraw/zinc/92/08/09/870920809.db2.gz QYNKRZCSYSIFEP-QWHCGFSZSA-N 2 1 352.504 0.725 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327536988 870929806 /nfs/dbraw/zinc/92/98/06/870929806.db2.gz JHJHIEQGDBVOBL-UHFFFAOYSA-N 2 1 354.495 0.063 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC001344784718 871026848 /nfs/dbraw/zinc/02/68/48/871026848.db2.gz PPFUSMRWHSGJIS-HOTGVXAUSA-N 2 1 354.495 0.014 20 0 FCADMP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1)[NH+](C)C ZINC001345092830 871186194 /nfs/dbraw/zinc/18/61/94/871186194.db2.gz NPKOOOAJEBLTET-IXDOHACOSA-N 2 1 352.523 0.974 20 0 FCADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001328457406 871443954 /nfs/dbraw/zinc/44/39/54/871443954.db2.gz RILJTCGVJYFXIE-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001328457406 871443964 /nfs/dbraw/zinc/44/39/64/871443964.db2.gz RILJTCGVJYFXIE-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001328457406 871443970 /nfs/dbraw/zinc/44/39/70/871443970.db2.gz RILJTCGVJYFXIE-ROUUACIJSA-N 2 1 352.523 0.774 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330691798 872767932 /nfs/dbraw/zinc/76/79/32/872767932.db2.gz RSEVTBMRKAXRPB-HZPDHXFCSA-N 2 1 350.507 0.920 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC001331138964 872978468 /nfs/dbraw/zinc/97/84/68/872978468.db2.gz DYIAPTJANWAMDW-HNNXBMFYSA-N 2 1 356.511 0.483 20 0 FCADMP CCN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC001331904632 873297479 /nfs/dbraw/zinc/29/74/79/873297479.db2.gz HEQVSWGGXCPEPS-DLBZAZTESA-N 2 1 353.511 0.176 20 0 FCADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001333256953 873877904 /nfs/dbraw/zinc/87/79/04/873877904.db2.gz BUVVPUNTNMEFCF-AOIWGVFYSA-N 2 1 352.523 0.807 20 0 FCADMP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360644 948122631 /nfs/dbraw/zinc/12/26/31/948122631.db2.gz SGTLLLRPMQRKBC-GASCZTMLSA-N 2 1 350.430 0.918 20 0 FCADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360644 948122637 /nfs/dbraw/zinc/12/26/37/948122637.db2.gz SGTLLLRPMQRKBC-GASCZTMLSA-N 2 1 350.430 0.918 20 0 FCADMP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000826505999 948424569 /nfs/dbraw/zinc/42/45/69/948424569.db2.gz KQEYAXDBTPPLRR-GOSISDBHSA-N 2 1 358.446 0.572 20 0 FCADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574708889 949500643 /nfs/dbraw/zinc/50/06/43/949500643.db2.gz XZGDTQORXZLCSS-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957204 949602524 /nfs/dbraw/zinc/60/25/24/949602524.db2.gz SMIPSXSDGIVFQW-JHJVBQTASA-N 2 1 358.450 0.543 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196488 950367896 /nfs/dbraw/zinc/36/78/96/950367896.db2.gz FKCQUSKKIROLEW-STQMWFEESA-N 2 1 356.434 0.038 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198486 950408703 /nfs/dbraw/zinc/40/87/03/950408703.db2.gz TYJHBGPCESRFAO-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198486 950408722 /nfs/dbraw/zinc/40/87/22/950408722.db2.gz TYJHBGPCESRFAO-UONOGXRCSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198481 950410957 /nfs/dbraw/zinc/41/09/57/950410957.db2.gz TYJHBGPCESRFAO-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198481 950410971 /nfs/dbraw/zinc/41/09/71/950410971.db2.gz TYJHBGPCESRFAO-KBPBESRZSA-N 2 1 370.461 0.641 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205160 950495765 /nfs/dbraw/zinc/49/57/65/950495765.db2.gz VSXINZYMYZYGGB-LRDDRELGSA-N 2 1 370.461 0.332 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205316 950505441 /nfs/dbraw/zinc/50/54/41/950505441.db2.gz XBUASUBLEQMPJU-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205316 950505461 /nfs/dbraw/zinc/50/54/61/950505461.db2.gz XBUASUBLEQMPJU-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205316 950505474 /nfs/dbraw/zinc/50/54/74/950505474.db2.gz XBUASUBLEQMPJU-ZBFHGGJFSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205320 950505838 /nfs/dbraw/zinc/50/58/38/950505838.db2.gz XBVBSSKKWHHKNN-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205320 950505845 /nfs/dbraw/zinc/50/58/45/950505845.db2.gz XBVBSSKKWHHKNN-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205320 950505866 /nfs/dbraw/zinc/50/58/66/950505866.db2.gz XBVBSSKKWHHKNN-YOEHRIQHSA-N 2 1 369.473 0.899 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC[NH+](C)C)CC(=O)[O-])CC2)CC1 ZINC001589741154 950590566 /nfs/dbraw/zinc/59/05/66/950590566.db2.gz CQDSECAFXKNLOC-UHFFFAOYSA-N 2 1 368.522 0.658 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576214273 950666420 /nfs/dbraw/zinc/66/64/20/950666420.db2.gz OEQZMADJEGBYRZ-UPJWGTAASA-N 2 1 356.434 0.085 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001571039979 951659031 /nfs/dbraw/zinc/65/90/31/951659031.db2.gz HXYUGNKWDKXPCD-INIZCTEOSA-N 2 1 367.457 0.653 20 0 FCADMP O=C(NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001571052752 951828169 /nfs/dbraw/zinc/82/81/69/951828169.db2.gz ZAQJDEUICXKRGI-ZDUSSCGKSA-N 2 1 368.445 0.443 20 0 FCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575099590 951836936 /nfs/dbraw/zinc/83/69/36/951836936.db2.gz NLNRGDOTBUCDOB-DGCLKSJQSA-N 2 1 363.491 0.959 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575110239 951937239 /nfs/dbraw/zinc/93/72/39/951937239.db2.gz YKKKCQSBZWCABD-XJKSGUPXSA-N 2 1 357.462 0.897 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571063166 951962378 /nfs/dbraw/zinc/96/23/78/951962378.db2.gz JLMIZGDOSYSERQ-PUJMQQBBSA-N 2 1 369.473 0.945 20 0 FCADMP CC(C)(C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571076583 952112001 /nfs/dbraw/zinc/11/20/01/952112001.db2.gz SZSOORVIECKZIU-ZDUSSCGKSA-N 2 1 370.461 0.831 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571077444 952118825 /nfs/dbraw/zinc/11/88/25/952118825.db2.gz AREKEDATLAXLBR-UONOGXRCSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000294312234 214238140 /nfs/dbraw/zinc/23/81/40/214238140.db2.gz SXWHGLQHEXTLLL-QFBILLFUSA-N 2 1 361.486 0.490 20 0 FCADMP CNC(=O)CC[NH+](C)Cc1cc(C[N@H+](C)CCC(=O)NC)ccc1F ZINC000297068861 214377392 /nfs/dbraw/zinc/37/73/92/214377392.db2.gz JIYYQJNZLWHXGP-UHFFFAOYSA-N 2 1 352.454 0.962 20 0 FCADMP CNC(=O)CC[NH+](C)Cc1ccc(F)c(C[N@H+](C)CCC(=O)NC)c1 ZINC000297068861 214377393 /nfs/dbraw/zinc/37/73/93/214377393.db2.gz JIYYQJNZLWHXGP-UHFFFAOYSA-N 2 1 352.454 0.962 20 0 FCADMP CNC(=O)CC[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CCC(=O)NC)c1 ZINC000297068861 214377396 /nfs/dbraw/zinc/37/73/96/214377396.db2.gz JIYYQJNZLWHXGP-UHFFFAOYSA-N 2 1 352.454 0.962 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000297356279 214394132 /nfs/dbraw/zinc/39/41/32/214394132.db2.gz KMVIDTGUVQIMQI-AWEZNQCLSA-N 2 1 366.466 0.546 20 0 FCADMP Cc1nccn1C[C@@H](C)CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000265728862 210207798 /nfs/dbraw/zinc/20/77/98/210207798.db2.gz JULNYVWUIDCCJS-ZFWWWQNUSA-N 2 1 350.467 0.467 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000265728862 210207801 /nfs/dbraw/zinc/20/78/01/210207801.db2.gz JULNYVWUIDCCJS-ZFWWWQNUSA-N 2 1 350.467 0.467 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000410729799 529831557 /nfs/dbraw/zinc/83/15/57/529831557.db2.gz KHZIXHMQUIJQFK-KSZLIROESA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731115 529861184 /nfs/dbraw/zinc/86/11/84/529861184.db2.gz ODVWOMPWLKLFFG-KSZLIROESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000410731115 529861185 /nfs/dbraw/zinc/86/11/85/529861185.db2.gz ODVWOMPWLKLFFG-KSZLIROESA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000410731115 529861186 /nfs/dbraw/zinc/86/11/86/529861186.db2.gz ODVWOMPWLKLFFG-KSZLIROESA-N 2 1 362.518 0.872 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410492182 529900570 /nfs/dbraw/zinc/90/05/70/529900570.db2.gz XBFPTLAPCKRCCW-MRXNPFEDSA-N 2 1 366.506 0.110 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000265509017 210153085 /nfs/dbraw/zinc/15/30/85/210153085.db2.gz FMDBYFAZRNMNMF-HNNXBMFYSA-N 2 1 363.462 0.643 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)C2)CC1 ZINC000410965299 530051025 /nfs/dbraw/zinc/05/10/25/530051025.db2.gz BLKMKOWWRQSGIG-KSZLIROESA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CC[C@@H]21 ZINC000410720133 530058138 /nfs/dbraw/zinc/05/81/38/530058138.db2.gz QITMTGRJBMZODC-KSZLIROESA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000331669844 215031696 /nfs/dbraw/zinc/03/16/96/215031696.db2.gz ZOORYXATQYXBSL-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000331669844 215031699 /nfs/dbraw/zinc/03/16/99/215031699.db2.gz ZOORYXATQYXBSL-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000331669844 215031703 /nfs/dbraw/zinc/03/17/03/215031703.db2.gz ZOORYXATQYXBSL-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000331669844 215031707 /nfs/dbraw/zinc/03/17/07/215031707.db2.gz ZOORYXATQYXBSL-IKGGRYGDSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000331801123 215048807 /nfs/dbraw/zinc/04/88/07/215048807.db2.gz QQWGRXPIAGOLAT-IXDOHACOSA-N 2 1 350.507 0.907 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000331796485 215047375 /nfs/dbraw/zinc/04/73/75/215047375.db2.gz LILHLCJLEOAHEG-IKGGRYGDSA-N 2 1 366.506 0.286 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000331890992 215063292 /nfs/dbraw/zinc/06/32/92/215063292.db2.gz GNTZJMPUDFRTGM-LTIDMASMSA-N 2 1 350.507 0.809 20 0 FCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000332006042 215078301 /nfs/dbraw/zinc/07/83/01/215078301.db2.gz CMYNJFSJHBBHKH-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000332006042 215078304 /nfs/dbraw/zinc/07/83/04/215078304.db2.gz CMYNJFSJHBBHKH-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332006042 215078306 /nfs/dbraw/zinc/07/83/06/215078306.db2.gz CMYNJFSJHBBHKH-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332006042 215078310 /nfs/dbraw/zinc/07/83/10/215078310.db2.gz CMYNJFSJHBBHKH-OWCLPIDISA-N 2 1 366.506 0.033 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000332040958 215082495 /nfs/dbraw/zinc/08/24/95/215082495.db2.gz JMYUEOVUMDPPAC-ARFHVFGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000332040958 215082499 /nfs/dbraw/zinc/08/24/99/215082499.db2.gz JMYUEOVUMDPPAC-ARFHVFGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000332040958 215082504 /nfs/dbraw/zinc/08/25/04/215082504.db2.gz JMYUEOVUMDPPAC-ARFHVFGLSA-N 2 1 366.506 0.297 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000332098475 215093272 /nfs/dbraw/zinc/09/32/72/215093272.db2.gz XYEMBVVXKDKGQE-YQQAZPJKSA-N 2 1 366.506 0.332 20 0 FCADMP COc1cc[nH+]c(N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)c1 ZINC000264849855 210000014 /nfs/dbraw/zinc/00/00/14/210000014.db2.gz IKRCZPLUFOHORI-UHFFFAOYSA-N 2 1 365.503 0.971 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@H]1C ZINC000332436924 215152966 /nfs/dbraw/zinc/15/29/66/215152966.db2.gz AVXGOECPAOWGMM-IPYPFGDCSA-N 2 1 359.474 0.777 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@H]1C ZINC000332436924 215152969 /nfs/dbraw/zinc/15/29/69/215152969.db2.gz AVXGOECPAOWGMM-IPYPFGDCSA-N 2 1 359.474 0.777 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332507647 215163589 /nfs/dbraw/zinc/16/35/89/215163589.db2.gz TWRYVEVLHUJRQA-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)CC2)c1 ZINC000332504330 215163794 /nfs/dbraw/zinc/16/37/94/215163794.db2.gz HRILVTAERMZTIS-INIZCTEOSA-N 2 1 359.474 0.591 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000332563118 215180174 /nfs/dbraw/zinc/18/01/74/215180174.db2.gz VZZHMVLVNYYZGV-JKSUJKDBSA-N 2 1 359.474 0.624 20 0 FCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000286709334 213528720 /nfs/dbraw/zinc/52/87/20/213528720.db2.gz CYFIUJAPGQIUJG-ZDUSSCGKSA-N 2 1 350.467 0.045 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332624582 215191969 /nfs/dbraw/zinc/19/19/69/215191969.db2.gz RUYSBHZREWRLFJ-SJORKVTESA-N 2 1 350.507 0.777 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000332592759 215186347 /nfs/dbraw/zinc/18/63/47/215186347.db2.gz MIXMSDYVRRBAQT-RDJZCZTQSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332665754 215202270 /nfs/dbraw/zinc/20/22/70/215202270.db2.gz OEQFIBOZEQOFKL-RCCFBDPRSA-N 2 1 358.486 0.738 20 0 FCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000332665754 215202272 /nfs/dbraw/zinc/20/22/72/215202272.db2.gz OEQFIBOZEQOFKL-RCCFBDPRSA-N 2 1 358.486 0.738 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C2)C1 ZINC000333318343 215262569 /nfs/dbraw/zinc/26/25/69/215262569.db2.gz MPNUTYZKFPSENW-SFHVURJKSA-N 2 1 359.478 0.836 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)C1 ZINC000333333171 215265487 /nfs/dbraw/zinc/26/54/87/215265487.db2.gz WORULDCBFAZEJX-IRXDYDNUSA-N 2 1 350.507 0.955 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333442136 215281943 /nfs/dbraw/zinc/28/19/43/215281943.db2.gz WFMBGRFTZBLYID-ZACQAIPSSA-N 2 1 367.538 0.563 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333455150 215284703 /nfs/dbraw/zinc/28/47/03/215284703.db2.gz YDPQPBIQFLSWKY-FGTMMUONSA-N 2 1 372.517 0.843 20 0 FCADMP C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C[NH+]1CCOCC1 ZINC000333496853 215290378 /nfs/dbraw/zinc/29/03/78/215290378.db2.gz CXJSJIDMAUTMDG-BPQIPLTHSA-N 2 1 368.522 0.883 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333573395 215298078 /nfs/dbraw/zinc/29/80/78/215298078.db2.gz MSWVOUIFSMLHKR-HZPDHXFCSA-N 2 1 354.495 0.779 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000333664304 215306941 /nfs/dbraw/zinc/30/69/41/215306941.db2.gz BMTINEUZPAHQIN-NXOAAHMSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000333664304 215306944 /nfs/dbraw/zinc/30/69/44/215306944.db2.gz BMTINEUZPAHQIN-NXOAAHMSSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000333664304 215306946 /nfs/dbraw/zinc/30/69/46/215306946.db2.gz BMTINEUZPAHQIN-NXOAAHMSSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333676230 215307988 /nfs/dbraw/zinc/30/79/88/215307988.db2.gz YZFOATLVIOJDIT-QGZVFWFLSA-N 2 1 363.506 0.467 20 0 FCADMP COCC1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000333673269 215307571 /nfs/dbraw/zinc/30/75/71/215307571.db2.gz NNKQSQGGORYMSG-INIZCTEOSA-N 2 1 368.522 0.897 20 0 FCADMP C[C@@H]1NC(=O)N(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803951 215319738 /nfs/dbraw/zinc/31/97/38/215319738.db2.gz DXASZPAVTMZASM-ZNMIVQPWSA-N 2 1 352.479 0.748 20 0 FCADMP C[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000333804087 215320454 /nfs/dbraw/zinc/32/04/54/215320454.db2.gz ONODIXNDROQBBC-IRXDYDNUSA-N 2 1 365.522 0.713 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333864556 215326290 /nfs/dbraw/zinc/32/62/90/215326290.db2.gz SRRUOYHFUWRWLP-YJBOKZPZSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)[C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333911882 215329323 /nfs/dbraw/zinc/32/93/23/215329323.db2.gz XLVYXTWBBJZNHI-INIZCTEOSA-N 2 1 354.495 0.603 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000333907217 215329779 /nfs/dbraw/zinc/32/97/79/215329779.db2.gz VQAKNAWZUNNSAV-IAGOWNOFSA-N 2 1 366.506 0.746 20 0 FCADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907217 215329782 /nfs/dbraw/zinc/32/97/82/215329782.db2.gz VQAKNAWZUNNSAV-IAGOWNOFSA-N 2 1 366.506 0.746 20 0 FCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333907217 215329785 /nfs/dbraw/zinc/32/97/85/215329785.db2.gz VQAKNAWZUNNSAV-IAGOWNOFSA-N 2 1 366.506 0.746 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000333934968 215331721 /nfs/dbraw/zinc/33/17/21/215331721.db2.gz IZXGBOBIGFOEKD-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934968 215331724 /nfs/dbraw/zinc/33/17/24/215331724.db2.gz IZXGBOBIGFOEKD-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333934968 215331725 /nfs/dbraw/zinc/33/17/25/215331725.db2.gz IZXGBOBIGFOEKD-JKSUJKDBSA-N 2 1 351.495 0.324 20 0 FCADMP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCCC1 ZINC000333927529 215332593 /nfs/dbraw/zinc/33/25/93/215332593.db2.gz WMDMGOFOLWJILM-MRXNPFEDSA-N 2 1 365.522 0.857 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000285763813 213391225 /nfs/dbraw/zinc/39/12/25/213391225.db2.gz DPZHGKUYNUZMNK-UHFFFAOYSA-N 2 1 365.478 0.313 20 0 FCADMP CC[NH+]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000334119374 215345758 /nfs/dbraw/zinc/34/57/58/215345758.db2.gz JYJQOVBIAHFXRG-UHFFFAOYSA-N 2 1 353.511 0.130 20 0 FCADMP C[N@@H+](CCCN1C(=O)CNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285469851 213346002 /nfs/dbraw/zinc/34/60/02/213346002.db2.gz NSGIFCCGSBWETQ-UHFFFAOYSA-N 2 1 373.501 0.678 20 0 FCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000285443027 213342574 /nfs/dbraw/zinc/34/25/74/213342574.db2.gz ZCLOGPUHKBPREQ-HOTGVXAUSA-N 2 1 359.474 0.943 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000285127336 213288017 /nfs/dbraw/zinc/28/80/17/213288017.db2.gz YHYNHCLGUXMTNV-ZDUSSCGKSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@H+]1CCc2sccc2C1 ZINC000285127336 213288020 /nfs/dbraw/zinc/28/80/20/213288020.db2.gz YHYNHCLGUXMTNV-ZDUSSCGKSA-N 2 1 364.515 0.821 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000285078109 213279353 /nfs/dbraw/zinc/27/93/53/213279353.db2.gz PGCJUCSKSABECQ-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078109 213279356 /nfs/dbraw/zinc/27/93/56/213279356.db2.gz PGCJUCSKSABECQ-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000285078109 213279361 /nfs/dbraw/zinc/27/93/61/213279361.db2.gz PGCJUCSKSABECQ-NVXWUHKLSA-N 2 1 358.486 0.976 20 0 FCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000284864748 213237426 /nfs/dbraw/zinc/23/74/26/213237426.db2.gz BETGHLRSAJCHJE-CYBMUJFWSA-N 2 1 358.446 0.648 20 0 FCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000284785138 213220060 /nfs/dbraw/zinc/22/00/60/213220060.db2.gz FTHLBNDMHPRNFO-UHFFFAOYSA-N 2 1 372.473 0.992 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000284759965 213213932 /nfs/dbraw/zinc/21/39/32/213213932.db2.gz DBMPUCDHVSVVNO-UHFFFAOYSA-N 2 1 373.501 0.716 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284666108 213193236 /nfs/dbraw/zinc/19/32/36/213193236.db2.gz UJWACGGDFHDJQA-DNVCBOLYSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666108 213193226 /nfs/dbraw/zinc/19/32/26/213193226.db2.gz UJWACGGDFHDJQA-DNVCBOLYSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284666108 213193229 /nfs/dbraw/zinc/19/32/29/213193229.db2.gz UJWACGGDFHDJQA-DNVCBOLYSA-N 2 1 370.497 0.760 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284666108 213193232 /nfs/dbraw/zinc/19/32/32/213193232.db2.gz UJWACGGDFHDJQA-DNVCBOLYSA-N 2 1 370.497 0.760 20 0 FCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284652461 213190226 /nfs/dbraw/zinc/19/02/26/213190226.db2.gz SUSODRLLHIWBLD-UHFFFAOYSA-N 2 1 358.486 0.714 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000284652461 213190229 /nfs/dbraw/zinc/19/02/29/213190229.db2.gz SUSODRLLHIWBLD-UHFFFAOYSA-N 2 1 358.486 0.714 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284652461 213190232 /nfs/dbraw/zinc/19/02/32/213190232.db2.gz SUSODRLLHIWBLD-UHFFFAOYSA-N 2 1 358.486 0.714 20 0 FCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284652461 213190236 /nfs/dbraw/zinc/19/02/36/213190236.db2.gz SUSODRLLHIWBLD-UHFFFAOYSA-N 2 1 358.486 0.714 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000284625880 213183922 /nfs/dbraw/zinc/18/39/22/213183922.db2.gz YRWBBLYWQOJOQP-HOTGVXAUSA-N 2 1 362.474 0.943 20 0 FCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000284316223 213110961 /nfs/dbraw/zinc/11/09/61/213110961.db2.gz PKTRMJZHEQLRQP-UHFFFAOYSA-N 2 1 361.446 0.881 20 0 FCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284289522 213104351 /nfs/dbraw/zinc/10/43/51/213104351.db2.gz HVHYIXFUSYLKGD-HNNXBMFYSA-N 2 1 350.463 0.799 20 0 FCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284137830 213082800 /nfs/dbraw/zinc/08/28/00/213082800.db2.gz DMLDUAGETINGGO-IAGOWNOFSA-N 2 1 362.474 0.913 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCn2ccnc2)C[N@H+]1Cc1ccccc1 ZINC000283991965 213049724 /nfs/dbraw/zinc/04/97/24/213049724.db2.gz OQZSNZHJYGCXHZ-RDJZCZTQSA-N 2 1 355.442 0.779 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000283895955 213029102 /nfs/dbraw/zinc/02/91/02/213029102.db2.gz CZOLNWFIOKQBTF-OAHLLOKOSA-N 2 1 350.463 0.847 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000283880627 213025909 /nfs/dbraw/zinc/02/59/09/213025909.db2.gz CBNHTBOWABXKRD-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000283880627 213025910 /nfs/dbraw/zinc/02/59/10/213025910.db2.gz CBNHTBOWABXKRD-HNNXBMFYSA-N 2 1 358.486 0.760 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000283743034 213002103 /nfs/dbraw/zinc/00/21/03/213002103.db2.gz NIIJOVFGDGNUNA-UHFFFAOYSA-N 2 1 358.446 0.650 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000413074106 237271483 /nfs/dbraw/zinc/27/14/83/237271483.db2.gz PHWNZNQZRCVMMB-UHFFFAOYSA-N 2 1 354.495 0.602 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000413351920 237320894 /nfs/dbraw/zinc/32/08/94/237320894.db2.gz MLLWYAXAEJKSSU-HOTGVXAUSA-N 2 1 356.511 0.848 20 0 FCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030316 216065958 /nfs/dbraw/zinc/06/59/58/216065958.db2.gz PYLPXXVQDJZHCM-CVEARBPZSA-N 2 1 365.522 0.665 20 0 FCADMP COC(=O)[C@]1(C)C[NH+](CC(O)C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000367091954 216072458 /nfs/dbraw/zinc/07/24/58/216072458.db2.gz MMZFIUPWVHCZFE-TWKYDXJASA-N 2 1 370.490 0.609 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000246768433 209398894 /nfs/dbraw/zinc/39/88/94/209398894.db2.gz HZRHPKAUHSWLHJ-BRWVUGGUSA-N 2 1 365.522 0.807 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000246473618 209388989 /nfs/dbraw/zinc/38/89/89/209388989.db2.gz QWYCHFSYJIXPNG-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000245892636 209376579 /nfs/dbraw/zinc/37/65/79/209376579.db2.gz OSYJMGLISNNTEC-NZSAHSFTSA-N 2 1 360.502 0.374 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000245892636 209376583 /nfs/dbraw/zinc/37/65/83/209376583.db2.gz OSYJMGLISNNTEC-NZSAHSFTSA-N 2 1 360.502 0.374 20 0 FCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000237174336 209348429 /nfs/dbraw/zinc/34/84/29/209348429.db2.gz HTPCOUFUPBLZBF-CQSZACIVSA-N 2 1 366.487 0.561 20 0 FCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000237174336 209348433 /nfs/dbraw/zinc/34/84/33/209348433.db2.gz HTPCOUFUPBLZBF-CQSZACIVSA-N 2 1 366.487 0.561 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3CC[NH2+]CC3)c2)C1 ZINC000237914962 209360949 /nfs/dbraw/zinc/36/09/49/209360949.db2.gz BMRRROCBFIJYCY-GOSISDBHSA-N 2 1 358.486 1.000 20 0 FCADMP C[C@@]1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000237598771 209354698 /nfs/dbraw/zinc/35/46/98/209354698.db2.gz YGWDVRMEARUVQU-HXUWFJFHSA-N 2 1 374.485 0.963 20 0 FCADMP C[C@]1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000237578395 209354082 /nfs/dbraw/zinc/35/40/82/209354082.db2.gz YGWDVRMEARUVQU-FQEVSTJZSA-N 2 1 374.485 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000368576529 216266498 /nfs/dbraw/zinc/26/64/98/216266498.db2.gz JOWQMZMHMLKCRF-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CC(N)=O)C1 ZINC000368576529 216266501 /nfs/dbraw/zinc/26/65/01/216266501.db2.gz JOWQMZMHMLKCRF-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CC(N)=O)C1 ZINC000368576529 216266505 /nfs/dbraw/zinc/26/65/05/216266505.db2.gz JOWQMZMHMLKCRF-KBAYOESNSA-N 2 1 358.486 0.963 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)CCC3)C[C@H]2C1 ZINC000192535445 209301479 /nfs/dbraw/zinc/30/14/79/209301479.db2.gz IZFFQTHLSAAFCE-WNKDZCFJSA-N 2 1 360.502 0.197 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1CC(C)(C)O ZINC000368704760 216285489 /nfs/dbraw/zinc/28/54/89/216285489.db2.gz UNBDIPBXQRHAFG-PMPSAXMXSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704760 216285491 /nfs/dbraw/zinc/28/54/91/216285491.db2.gz UNBDIPBXQRHAFG-PMPSAXMXSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1CC(C)(C)O ZINC000368704760 216285493 /nfs/dbraw/zinc/28/54/93/216285493.db2.gz UNBDIPBXQRHAFG-PMPSAXMXSA-N 2 1 354.495 0.336 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000368794288 216297391 /nfs/dbraw/zinc/29/73/91/216297391.db2.gz HAYGCODSKSZNOT-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000368794288 216297394 /nfs/dbraw/zinc/29/73/94/216297394.db2.gz HAYGCODSKSZNOT-MRXNPFEDSA-N 2 1 355.527 0.912 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000368966183 216325688 /nfs/dbraw/zinc/32/56/88/216325688.db2.gz NPPGAXLKZWDQLM-FAJBIJEISA-N 2 1 358.486 0.991 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000368966183 216325689 /nfs/dbraw/zinc/32/56/89/216325689.db2.gz NPPGAXLKZWDQLM-FAJBIJEISA-N 2 1 358.486 0.991 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368992164 216330575 /nfs/dbraw/zinc/33/05/75/216330575.db2.gz MDGITJPZOZXKGZ-IRXDYDNUSA-N 2 1 365.522 0.809 20 0 FCADMP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027357 216334591 /nfs/dbraw/zinc/33/45/91/216334591.db2.gz LQLAJICQPSUTOJ-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027357 216334593 /nfs/dbraw/zinc/33/45/93/216334593.db2.gz LQLAJICQPSUTOJ-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369027357 216334595 /nfs/dbraw/zinc/33/45/95/216334595.db2.gz LQLAJICQPSUTOJ-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035860 216335884 /nfs/dbraw/zinc/33/58/84/216335884.db2.gz JQDBYEDMNXKOTK-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOC)CC2)CC1=O ZINC000369035860 216335888 /nfs/dbraw/zinc/33/58/88/216335888.db2.gz JQDBYEDMNXKOTK-SJORKVTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC1=O ZINC000369036873 216336761 /nfs/dbraw/zinc/33/67/61/216336761.db2.gz RTXRWNMEUNHEDJ-RDJZCZTQSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000369195301 216362379 /nfs/dbraw/zinc/36/23/79/216362379.db2.gz UGEHCWGMYCIDDO-UHFFFAOYSA-N 3 1 368.566 0.562 20 0 FCADMP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369395120 216394857 /nfs/dbraw/zinc/39/48/57/216394857.db2.gz KUPGTBRZVUTSKZ-GOSISDBHSA-N 2 1 367.538 0.424 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCOCC1 ZINC000188882474 209240077 /nfs/dbraw/zinc/24/00/77/209240077.db2.gz XJIHKDWCSROPCG-HZPDHXFCSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCOCC1 ZINC000188882474 209240079 /nfs/dbraw/zinc/24/00/79/209240079.db2.gz XJIHKDWCSROPCG-HZPDHXFCSA-N 2 1 356.511 0.441 20 0 FCADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN1CCOCC1(C)C ZINC000188504813 209232062 /nfs/dbraw/zinc/23/20/62/209232062.db2.gz LKNIZHZGRBEFJD-OAHLLOKOSA-N 2 1 356.511 0.584 20 0 FCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)cc1 ZINC000276358638 212218633 /nfs/dbraw/zinc/21/86/33/212218633.db2.gz LSJWBSSFAMYLRW-UHFFFAOYSA-N 2 1 364.490 0.897 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C)nc1 ZINC000276084275 212156164 /nfs/dbraw/zinc/15/61/64/212156164.db2.gz USIMHNMDEUSRNJ-MRXNPFEDSA-N 2 1 362.478 0.598 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705502 209180068 /nfs/dbraw/zinc/18/00/68/209180068.db2.gz BYTZKGRFDWDVAH-QKPAOTATSA-N 2 1 371.547 0.921 20 0 FCADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705502 209180071 /nfs/dbraw/zinc/18/00/71/209180071.db2.gz BYTZKGRFDWDVAH-QKPAOTATSA-N 2 1 371.547 0.921 20 0 FCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000372399865 216877087 /nfs/dbraw/zinc/87/70/87/216877087.db2.gz WVIMTUCMNFPETM-YTQUADARSA-N 2 1 360.502 0.845 20 0 FCADMP C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707906 212076965 /nfs/dbraw/zinc/07/69/65/212076965.db2.gz NYOATOBVQAUOAV-UONOGXRCSA-N 2 1 364.519 0.529 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000275415067 212022522 /nfs/dbraw/zinc/02/25/22/212022522.db2.gz HOLQYTGBYBODLU-GOSISDBHSA-N 2 1 360.502 0.724 20 0 FCADMP Cn1nc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC(F)F ZINC000373352629 217010879 /nfs/dbraw/zinc/01/08/79/217010879.db2.gz GCXCLBYTUFQKKM-LLVKDONJSA-N 2 1 357.405 0.920 20 0 FCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487491 674117243 /nfs/dbraw/zinc/11/72/43/674117243.db2.gz CDBZWVIRKZDFKJ-HUUCEWRRSA-N 2 1 354.495 0.779 20 0 FCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000414946463 245339861 /nfs/dbraw/zinc/33/98/61/245339861.db2.gz JQCKAQXFVIMMQC-KRWDZBQOSA-N 2 1 374.485 0.915 20 0 FCADMP CC[NH2+]CCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000415072028 245344478 /nfs/dbraw/zinc/34/44/78/245344478.db2.gz XKSFYRGODQKGNI-UHFFFAOYSA-N 2 1 363.462 0.814 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415126434 245349037 /nfs/dbraw/zinc/34/90/37/245349037.db2.gz MDDXYTWTEUKQHY-CQSZACIVSA-N 2 1 360.458 0.907 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000415152084 245353993 /nfs/dbraw/zinc/35/39/93/245353993.db2.gz BGDHUMIAKNFLNV-KBPBESRZSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000415152084 245353996 /nfs/dbraw/zinc/35/39/96/245353996.db2.gz BGDHUMIAKNFLNV-KBPBESRZSA-N 2 1 362.474 0.948 20 0 FCADMP C[C@H](c1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000415321396 245385299 /nfs/dbraw/zinc/38/52/99/245385299.db2.gz YCOKMAJFMMMLJO-PBHICJAKSA-N 2 1 360.458 0.887 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000184742817 209167127 /nfs/dbraw/zinc/16/71/27/209167127.db2.gz PPJOKWHZWHCOAX-HZPDHXFCSA-N 2 1 358.486 0.691 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076072 209157116 /nfs/dbraw/zinc/15/71/16/209157116.db2.gz LIMCNEXFEXBUOA-AEFFLSMTSA-N 2 1 352.523 0.772 20 0 FCADMP Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000374910986 217189340 /nfs/dbraw/zinc/18/93/40/217189340.db2.gz KVBROHSBZKRECU-UHFFFAOYSA-N 2 1 363.462 0.341 20 0 FCADMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374872532 217184408 /nfs/dbraw/zinc/18/44/08/217184408.db2.gz GTKJVHASPQIYAO-OAHLLOKOSA-N 2 1 362.478 0.712 20 0 FCADMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374872532 217184410 /nfs/dbraw/zinc/18/44/10/217184410.db2.gz GTKJVHASPQIYAO-OAHLLOKOSA-N 2 1 362.478 0.712 20 0 FCADMP O[C@H](COCc1cccs1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375000391 217201800 /nfs/dbraw/zinc/20/18/00/217201800.db2.gz WIRNBTYQXZAJIQ-INIZCTEOSA-N 2 1 370.515 0.785 20 0 FCADMP O[C@@H](COc1ccccc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374994922 217202595 /nfs/dbraw/zinc/20/25/95/217202595.db2.gz BNFYALRCFYLSFS-QGZVFWFLSA-N 2 1 350.459 0.585 20 0 FCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000415756601 245487446 /nfs/dbraw/zinc/48/74/46/245487446.db2.gz DVSJZINNHUMVGJ-VLGRORTASA-N 2 1 372.469 0.568 20 0 FCADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376323538 217385350 /nfs/dbraw/zinc/38/53/50/217385350.db2.gz QLPMVHNOININRC-RDJZCZTQSA-N 2 1 365.522 0.807 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419162676 246025998 /nfs/dbraw/zinc/02/59/98/246025998.db2.gz HRXUFQVIFBUYAL-NVXWUHKLSA-N 2 1 362.474 0.105 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)[nH+]1 ZINC000419135888 246010720 /nfs/dbraw/zinc/01/07/20/246010720.db2.gz OBTAEIYWMFPUIC-LSDHHAIUSA-N 2 1 359.474 0.684 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)[nH+]1 ZINC000419137775 246011296 /nfs/dbraw/zinc/01/12/96/246011296.db2.gz RCCWIABHQFQLHF-GOEBONIOSA-N 2 1 359.474 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419140780 246012977 /nfs/dbraw/zinc/01/29/77/246012977.db2.gz WCRYCHNVBNUPRX-BPQIPLTHSA-N 2 1 358.486 0.963 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)[nH+]1 ZINC000419141339 246013869 /nfs/dbraw/zinc/01/38/69/246013869.db2.gz WWNJTFJXINTBPA-INIZCTEOSA-N 2 1 359.474 0.733 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166569 246028112 /nfs/dbraw/zinc/02/81/12/246028112.db2.gz HLYNYKBLXIJNFY-SJLPKXTDSA-N 2 1 358.486 0.488 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419166896 246029774 /nfs/dbraw/zinc/02/97/74/246029774.db2.gz HZKLRNJRXMTCMF-APWZRJJASA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419166924 246030092 /nfs/dbraw/zinc/03/00/92/246030092.db2.gz ICLRPPBDAHTIFL-BHIYHBOVSA-N 2 1 372.513 0.863 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419168452 246030261 /nfs/dbraw/zinc/03/02/61/246030261.db2.gz SHONQCRICQIKTJ-MSOLQXFVSA-N 2 1 374.485 0.262 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419166621 246030586 /nfs/dbraw/zinc/03/05/86/246030586.db2.gz HQXCFMJPPFKQAE-QZTJIDSGSA-N 2 1 358.486 0.535 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419166899 246030826 /nfs/dbraw/zinc/03/08/26/246030826.db2.gz HZKLRNJRXMTCMF-VQIMIIECSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169103 246030889 /nfs/dbraw/zinc/03/08/89/246030889.db2.gz UFLORPHMBYKQIV-WMZOPIPTSA-N 2 1 374.485 0.214 20 0 FCADMP NCC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419173222 246032898 /nfs/dbraw/zinc/03/28/98/246032898.db2.gz SIBKJNFLOXDBNC-HNNXBMFYSA-N 2 1 368.428 0.377 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419173222 246032903 /nfs/dbraw/zinc/03/29/03/246032903.db2.gz SIBKJNFLOXDBNC-HNNXBMFYSA-N 2 1 368.428 0.377 20 0 FCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419173222 246032913 /nfs/dbraw/zinc/03/29/13/246032913.db2.gz SIBKJNFLOXDBNC-HNNXBMFYSA-N 2 1 368.428 0.377 20 0 FCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1(C)C ZINC000419184378 246040761 /nfs/dbraw/zinc/04/07/61/246040761.db2.gz NPMYXUJAOLZMNG-INIZCTEOSA-N 2 1 367.538 0.152 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)CCC(F)(F)F ZINC000419208043 246055504 /nfs/dbraw/zinc/05/55/04/246055504.db2.gz NSXFTBZRGSVDSY-NWDGAFQWSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)CCC(F)(F)F ZINC000419208043 246055509 /nfs/dbraw/zinc/05/55/09/246055509.db2.gz NSXFTBZRGSVDSY-NWDGAFQWSA-N 2 1 352.401 0.586 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419212223 246056302 /nfs/dbraw/zinc/05/63/02/246056302.db2.gz UKKVFGZNOLBSAN-RXVVDRJESA-N 2 1 370.497 0.979 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419212616 246056551 /nfs/dbraw/zinc/05/65/51/246056551.db2.gz UWIVRXWFCQJPNQ-YLJYHZDGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419222307 246062785 /nfs/dbraw/zinc/06/27/85/246062785.db2.gz BMVLPABTBAUPOS-JLSDUUJJSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419226722 246064471 /nfs/dbraw/zinc/06/44/71/246064471.db2.gz DQRAQCTUZXNTJF-FZKQIMNGSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419226722 246064478 /nfs/dbraw/zinc/06/44/78/246064478.db2.gz DQRAQCTUZXNTJF-FZKQIMNGSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419229854 246067459 /nfs/dbraw/zinc/06/74/59/246067459.db2.gz IINSDQOVJMDVCA-HZPDHXFCSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419229854 246067465 /nfs/dbraw/zinc/06/74/65/246067465.db2.gz IINSDQOVJMDVCA-HZPDHXFCSA-N 2 1 358.486 0.665 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419226723 246064912 /nfs/dbraw/zinc/06/49/12/246064912.db2.gz DQRAQCTUZXNTJF-SCLBCKFNSA-N 2 1 364.515 0.808 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419226723 246064916 /nfs/dbraw/zinc/06/49/16/246064916.db2.gz DQRAQCTUZXNTJF-SCLBCKFNSA-N 2 1 364.515 0.808 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419224762 246065258 /nfs/dbraw/zinc/06/52/58/246065258.db2.gz BZDAISUAXQUWCN-CVEARBPZSA-N 2 1 358.486 0.617 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419224762 246065260 /nfs/dbraw/zinc/06/52/60/246065260.db2.gz BZDAISUAXQUWCN-CVEARBPZSA-N 2 1 358.486 0.617 20 0 FCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419227201 246065444 /nfs/dbraw/zinc/06/54/44/246065444.db2.gz JYAJEOPLKWAQQZ-IRXDYDNUSA-N 2 1 350.507 0.955 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000419224763 246065693 /nfs/dbraw/zinc/06/56/93/246065693.db2.gz BZDAISUAXQUWCN-HOTGVXAUSA-N 2 1 358.486 0.617 20 0 FCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000419224763 246065700 /nfs/dbraw/zinc/06/57/00/246065700.db2.gz BZDAISUAXQUWCN-HOTGVXAUSA-N 2 1 358.486 0.617 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)CCC(F)(F)F ZINC000419200913 246050427 /nfs/dbraw/zinc/05/04/27/246050427.db2.gz FVGJADOKSMZZAM-TXEJJXNPSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)CCC(F)(F)F ZINC000419200913 246050432 /nfs/dbraw/zinc/05/04/32/246050432.db2.gz FVGJADOKSMZZAM-TXEJJXNPSA-N 2 1 352.401 0.586 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208009 246054564 /nfs/dbraw/zinc/05/45/64/246054564.db2.gz NPKVFRXOEYJCSH-STQMWFEESA-N 2 1 366.428 0.881 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000419208009 246054570 /nfs/dbraw/zinc/05/45/70/246054570.db2.gz NPKVFRXOEYJCSH-STQMWFEESA-N 2 1 366.428 0.881 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419230423 246069146 /nfs/dbraw/zinc/06/91/46/246069146.db2.gz PWMVUUBGOGHFEN-ZTFGCOKTSA-N 2 1 358.486 0.867 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419235291 246070244 /nfs/dbraw/zinc/07/02/44/246070244.db2.gz YTBGYZWSCZNOPZ-BRSBDYLESA-N 2 1 362.518 0.871 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419233340 246071226 /nfs/dbraw/zinc/07/12/26/246071226.db2.gz LJMPKEBQOKIIFO-IPYPFGDCSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419233340 246071234 /nfs/dbraw/zinc/07/12/34/246071234.db2.gz LJMPKEBQOKIIFO-IPYPFGDCSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419235517 246071686 /nfs/dbraw/zinc/07/16/86/246071686.db2.gz NBKIQIROUNLKSR-GXTWGEPZSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419235517 246071690 /nfs/dbraw/zinc/07/16/90/246071690.db2.gz NBKIQIROUNLKSR-GXTWGEPZSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000419231779 246072258 /nfs/dbraw/zinc/07/22/58/246072258.db2.gz KDQMEEWMEKQAIT-VKJFTORMSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000419231779 246072262 /nfs/dbraw/zinc/07/22/62/246072262.db2.gz KDQMEEWMEKQAIT-VKJFTORMSA-N 2 1 358.486 0.745 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419232078 246072423 /nfs/dbraw/zinc/07/24/23/246072423.db2.gz KGUFOKHTWCCFPB-BPLDGKMQSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419232078 246072427 /nfs/dbraw/zinc/07/24/27/246072427.db2.gz KGUFOKHTWCCFPB-BPLDGKMQSA-N 2 1 364.515 0.997 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000419239208 246074704 /nfs/dbraw/zinc/07/47/04/246074704.db2.gz QJWPNXJLVLZBNI-LBPRGKRZSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000419239208 246074708 /nfs/dbraw/zinc/07/47/08/246074708.db2.gz QJWPNXJLVLZBNI-LBPRGKRZSA-N 2 1 350.488 0.561 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419250019 246077606 /nfs/dbraw/zinc/07/76/06/246077606.db2.gz YUPVPDBLGXGRDC-BFHYXJOUSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419250019 246077609 /nfs/dbraw/zinc/07/76/09/246077609.db2.gz YUPVPDBLGXGRDC-BFHYXJOUSA-N 2 1 364.515 0.807 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000419317837 246097792 /nfs/dbraw/zinc/09/77/92/246097792.db2.gz NESUVVKSLSBHEQ-LGRHPFTQSA-N 2 1 374.460 0.820 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419387491 246127130 /nfs/dbraw/zinc/12/71/30/246127130.db2.gz FNCXVCMKQLAOSW-INIZCTEOSA-N 2 1 358.486 0.667 20 0 FCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419387491 246127135 /nfs/dbraw/zinc/12/71/35/246127135.db2.gz FNCXVCMKQLAOSW-INIZCTEOSA-N 2 1 358.486 0.667 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387208 246127547 /nfs/dbraw/zinc/12/75/47/246127547.db2.gz CKVBZQLASFTJNJ-ZBFHGGJFSA-N 2 1 364.515 0.431 20 0 FCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387208 246127554 /nfs/dbraw/zinc/12/75/54/246127554.db2.gz CKVBZQLASFTJNJ-ZBFHGGJFSA-N 2 1 364.515 0.431 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419385207 246127800 /nfs/dbraw/zinc/12/78/00/246127800.db2.gz ACUOAQUTZXENBU-SZMVWBNQSA-N 2 1 358.486 0.881 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419392455 246130038 /nfs/dbraw/zinc/13/00/38/246130038.db2.gz LAOZKBIUEIZTKO-MRXNPFEDSA-N 2 1 358.486 0.748 20 0 FCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419392455 246130043 /nfs/dbraw/zinc/13/00/43/246130043.db2.gz LAOZKBIUEIZTKO-MRXNPFEDSA-N 2 1 358.486 0.748 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000419395752 246132367 /nfs/dbraw/zinc/13/23/67/246132367.db2.gz REUADJWVZPFEFE-MRXNPFEDSA-N 2 1 358.486 0.619 20 0 FCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000419395752 246132371 /nfs/dbraw/zinc/13/23/71/246132371.db2.gz REUADJWVZPFEFE-MRXNPFEDSA-N 2 1 358.486 0.619 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419395373 246132423 /nfs/dbraw/zinc/13/24/23/246132423.db2.gz QOAPYLFLCLWYPT-MAUKXSAKSA-N 2 1 358.486 0.604 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419395373 246132426 /nfs/dbraw/zinc/13/24/26/246132426.db2.gz QOAPYLFLCLWYPT-MAUKXSAKSA-N 2 1 358.486 0.604 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419396013 246132449 /nfs/dbraw/zinc/13/24/49/246132449.db2.gz RUHUHLXQUWZANP-YOEHRIQHSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419396013 246132454 /nfs/dbraw/zinc/13/24/54/246132454.db2.gz RUHUHLXQUWZANP-YOEHRIQHSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399691 246134110 /nfs/dbraw/zinc/13/41/10/246134110.db2.gz KDJJWDOCCJWQFG-SZMVWBNQSA-N 2 1 374.485 0.199 20 0 FCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404618 246139908 /nfs/dbraw/zinc/13/99/08/246139908.db2.gz UDVDWCZNGREINA-JQHSSLGASA-N 2 1 358.486 0.963 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000419408505 246141241 /nfs/dbraw/zinc/14/12/41/246141241.db2.gz LXWLXZDAFYEEPC-TWMKSMIVSA-N 2 1 350.507 0.539 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408662 246142234 /nfs/dbraw/zinc/14/22/34/246142234.db2.gz CTQGWNOCCVOWEK-FGTMMUONSA-N 2 1 374.485 0.342 20 0 FCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408662 246142238 /nfs/dbraw/zinc/14/22/38/246142238.db2.gz CTQGWNOCCVOWEK-FGTMMUONSA-N 2 1 374.485 0.342 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000419407901 246142311 /nfs/dbraw/zinc/14/23/11/246142311.db2.gz KXVZQAIYOIBZFS-WMLDXEAASA-N 2 1 350.488 0.679 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccsc1 ZINC000419411956 246144105 /nfs/dbraw/zinc/14/41/05/246144105.db2.gz QEXTZPYAAYWHFR-AEGPPILISA-N 2 1 350.488 0.535 20 0 FCADMP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419418288 246152957 /nfs/dbraw/zinc/15/29/57/246152957.db2.gz YCBFBJNTPXUJIZ-ROUUACIJSA-N 2 1 374.485 0.044 20 0 FCADMP CC[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000419418285 246153250 /nfs/dbraw/zinc/15/32/50/246153250.db2.gz YCBFBJNTPXUJIZ-QZTJIDSGSA-N 2 1 374.485 0.044 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419503270 246182583 /nfs/dbraw/zinc/18/25/83/246182583.db2.gz CWRBGFVUDHCSGZ-WIYYLYMNSA-N 2 1 370.497 0.837 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419502562 246183726 /nfs/dbraw/zinc/18/37/26/246183726.db2.gz GCPPLLNBYQOHEI-SOLBZPMBSA-N 2 1 373.501 0.119 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511083 246185157 /nfs/dbraw/zinc/18/51/57/246185157.db2.gz VCPZGZUBLPCDAN-INIZCTEOSA-N 2 1 373.501 0.182 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000419506478 246185972 /nfs/dbraw/zinc/18/59/72/246185972.db2.gz MJQDFRQAXRMYRE-SOLBZPMBSA-N 2 1 358.486 0.834 20 0 FCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000419511642 246186410 /nfs/dbraw/zinc/18/64/10/246186410.db2.gz ILHODVSWUHGKPG-OAHLLOKOSA-N 2 1 350.463 0.909 20 0 FCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000419516827 246187512 /nfs/dbraw/zinc/18/75/12/246187512.db2.gz VDIGEZQLULVPHR-XHSDSOJGSA-N 2 1 360.458 0.519 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512936 246188436 /nfs/dbraw/zinc/18/84/36/246188436.db2.gz YHESPEVDCGCCFM-INIZCTEOSA-N 2 1 361.490 0.039 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419524243 246189336 /nfs/dbraw/zinc/18/93/36/246189336.db2.gz BSUKUGCHQMPFQV-NXHRZFHOSA-N 2 1 358.486 0.963 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419521207 246190186 /nfs/dbraw/zinc/19/01/86/246190186.db2.gz JLSWESOGAKWPAF-RRQGHBQHSA-N 2 1 364.465 0.925 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525038 246192776 /nfs/dbraw/zinc/19/27/76/246192776.db2.gz CTIZNKPLPLGBDN-OCCSQVGLSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419525038 246192779 /nfs/dbraw/zinc/19/27/79/246192779.db2.gz CTIZNKPLPLGBDN-OCCSQVGLSA-N 2 1 354.401 0.333 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419474834 246176041 /nfs/dbraw/zinc/17/60/41/246176041.db2.gz CQCBFYVTEUTMOY-LPHOPBHVSA-N 2 1 350.507 0.969 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419484724 246178669 /nfs/dbraw/zinc/17/86/69/246178669.db2.gz UKTOMFCCBIGLBH-BBWFWOEESA-N 2 1 368.522 0.437 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419530616 246193636 /nfs/dbraw/zinc/19/36/36/246193636.db2.gz JNLMANSLXHKWPA-MAUKXSAKSA-N 2 1 356.470 0.659 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419537303 246194949 /nfs/dbraw/zinc/19/49/49/246194949.db2.gz VRMGNXFSGFYZNA-MAUKXSAKSA-N 2 1 358.486 0.881 20 0 FCADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@H+]1C ZINC000419560568 246202386 /nfs/dbraw/zinc/20/23/86/246202386.db2.gz RGJDGLYDUZNOIH-VEMSKXMJSA-N 2 1 362.518 0.855 20 0 FCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419701388 246256765 /nfs/dbraw/zinc/25/67/65/246256765.db2.gz ASJXIQXWGZXAFX-NJAFHUGGSA-N 2 1 358.486 0.976 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000419702404 246259027 /nfs/dbraw/zinc/25/90/27/246259027.db2.gz BSSGBTLXCZOHDO-RDJZCZTQSA-N 2 1 362.474 0.118 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419755723 246285266 /nfs/dbraw/zinc/28/52/66/246285266.db2.gz DVJOEAPUWXSLJP-ZBFHGGJFSA-N 2 1 350.438 0.617 20 0 FCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000419802011 246300355 /nfs/dbraw/zinc/30/03/55/246300355.db2.gz BDFBFPABYXWQIZ-IIDMSEBBSA-N 2 1 374.485 0.390 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419826986 246306866 /nfs/dbraw/zinc/30/68/66/246306866.db2.gz RJCKRYZVOPNFOC-ILXRZTDVSA-N 2 1 362.474 0.375 20 0 FCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000419719518 246270752 /nfs/dbraw/zinc/27/07/52/246270752.db2.gz GNHQRTKORVAYBU-CYBMUJFWSA-N 2 1 366.412 0.605 20 0 FCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419738639 246277615 /nfs/dbraw/zinc/27/76/15/246277615.db2.gz VDBZFEYMUPDUEO-KRWDZBQOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419826990 246308005 /nfs/dbraw/zinc/30/80/05/246308005.db2.gz RJCKRYZVOPNFOC-KKUMJFAQSA-N 2 1 362.474 0.375 20 0 FCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419837646 246312048 /nfs/dbraw/zinc/31/20/48/246312048.db2.gz WXBLKEPRVUNTOM-DLBZAZTESA-N 2 1 369.554 0.208 20 0 FCADMP CCN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419837750 246313096 /nfs/dbraw/zinc/31/30/96/246313096.db2.gz DMQJVHGSJVPLQX-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419843094 246315964 /nfs/dbraw/zinc/31/59/64/246315964.db2.gz WYAKYXACKCZOCF-GASCZTMLSA-N 2 1 354.495 0.189 20 0 FCADMP O=C(NCC1C[NH2+]C1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000419922746 246370430 /nfs/dbraw/zinc/37/04/30/246370430.db2.gz KKFYKMXFNXNRCE-UHFFFAOYSA-N 2 1 358.486 0.489 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000419921619 246370892 /nfs/dbraw/zinc/37/08/92/246370892.db2.gz YGWQLKVTXYPDAY-NCOADZHNSA-N 2 1 366.506 0.202 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419886119 246350840 /nfs/dbraw/zinc/35/08/40/246350840.db2.gz KLPGHMQPOJISRO-HOTGVXAUSA-N 2 1 359.474 0.543 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419889142 246351765 /nfs/dbraw/zinc/35/17/65/246351765.db2.gz GOLLUBIVSMBLQJ-MSOLQXFVSA-N 2 1 358.486 0.835 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419891049 246353651 /nfs/dbraw/zinc/35/36/51/246353651.db2.gz MQWVNHSAIWVHFM-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419891049 246353655 /nfs/dbraw/zinc/35/36/55/246353655.db2.gz MQWVNHSAIWVHFM-QGZVFWFLSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419900128 246360812 /nfs/dbraw/zinc/36/08/12/246360812.db2.gz QKECJIZRPXIMFI-WMZOPIPTSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419963492 246390093 /nfs/dbraw/zinc/39/00/93/246390093.db2.gz ZBZJGEDYGNQUNG-ZJIFWQFVSA-N 2 1 354.495 0.058 20 0 FCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000419966618 246393738 /nfs/dbraw/zinc/39/37/38/246393738.db2.gz YTOJQUNKIKTUAQ-GJZGRUSLSA-N 2 1 354.495 0.188 20 0 FCADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000419969332 246394638 /nfs/dbraw/zinc/39/46/38/246394638.db2.gz RWBAPEUKYGCLHB-QGZVFWFLSA-N 2 1 366.506 0.333 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)C1 ZINC000423367912 247013162 /nfs/dbraw/zinc/01/31/62/247013162.db2.gz AUGOAFROKDTVHJ-HLIPFELVSA-N 2 1 356.470 0.752 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@@H+]1C ZINC000423379163 247015379 /nfs/dbraw/zinc/01/53/79/247015379.db2.gz LUHOZVRFQKKCDV-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@H+]1C ZINC000423379163 247015383 /nfs/dbraw/zinc/01/53/83/247015383.db2.gz LUHOZVRFQKKCDV-KRWDZBQOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000423388814 247017211 /nfs/dbraw/zinc/01/72/11/247017211.db2.gz IZEWIXNLMSSMLN-WMZOPIPTSA-N 2 1 358.486 0.835 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000423541488 247045609 /nfs/dbraw/zinc/04/56/09/247045609.db2.gz RZMCSNNEWPLLOR-GJZGRUSLSA-N 2 1 356.511 0.122 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000423541488 247045614 /nfs/dbraw/zinc/04/56/14/247045614.db2.gz RZMCSNNEWPLLOR-GJZGRUSLSA-N 2 1 356.511 0.122 20 0 FCADMP C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000423449871 247029072 /nfs/dbraw/zinc/02/90/72/247029072.db2.gz WTBGFCNCLDEOAQ-AWEZNQCLSA-N 2 1 350.467 0.390 20 0 FCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423487832 247036229 /nfs/dbraw/zinc/03/62/29/247036229.db2.gz XUQGIHHVQSRZJL-SFHVURJKSA-N 2 1 358.486 0.789 20 0 FCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000423493534 247037850 /nfs/dbraw/zinc/03/78/50/247037850.db2.gz BSRLMNLZZIAEDK-ZYSHUDEJSA-N 2 1 360.502 0.893 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423515995 247039836 /nfs/dbraw/zinc/03/98/36/247039836.db2.gz AJPCXJPPPDPRED-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423515995 247039839 /nfs/dbraw/zinc/03/98/39/247039839.db2.gz AJPCXJPPPDPRED-ARFHVFGLSA-N 2 1 354.495 0.141 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)CC[N@@H+]1CCOC ZINC000423525812 247042182 /nfs/dbraw/zinc/04/21/82/247042182.db2.gz KTPOTXAYRAOOJJ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)CC[N@H+]1CCOC ZINC000423525812 247042186 /nfs/dbraw/zinc/04/21/86/247042186.db2.gz KTPOTXAYRAOOJJ-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000423529321 247042268 /nfs/dbraw/zinc/04/22/68/247042268.db2.gz PPOSVSCPUNAOHS-SJORKVTESA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000423529321 247042275 /nfs/dbraw/zinc/04/22/75/247042275.db2.gz PPOSVSCPUNAOHS-SJORKVTESA-N 2 1 370.538 0.778 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1CCOC ZINC000423532138 247043453 /nfs/dbraw/zinc/04/34/53/247043453.db2.gz UTTUYVYCUMRXTC-IXDOHACOSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC[N@H+]1CCOC ZINC000423532138 247043457 /nfs/dbraw/zinc/04/34/57/247043457.db2.gz UTTUYVYCUMRXTC-IXDOHACOSA-N 2 1 368.522 0.532 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000423702003 247115204 /nfs/dbraw/zinc/11/52/04/247115204.db2.gz XOIACJOMQDUCEQ-ZACQAIPSSA-N 2 1 368.522 0.674 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000423702003 247115205 /nfs/dbraw/zinc/11/52/05/247115205.db2.gz XOIACJOMQDUCEQ-ZACQAIPSSA-N 2 1 368.522 0.674 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000423696865 247112667 /nfs/dbraw/zinc/11/26/67/247112667.db2.gz MGWKYCQNGMACGL-XIRDDKMYSA-N 2 1 350.507 0.905 20 0 FCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423650692 247091600 /nfs/dbraw/zinc/09/16/00/247091600.db2.gz LSFIGPBULVUKFZ-GVDBMIGSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423652343 247095227 /nfs/dbraw/zinc/09/52/27/247095227.db2.gz NHCVIRTXGNBCTP-GJZGRUSLSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)C1 ZINC000423671828 247104981 /nfs/dbraw/zinc/10/49/81/247104981.db2.gz XEXOUJHCAXZNRY-FQEVSTJZSA-N 2 1 358.486 0.918 20 0 FCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423925702 247150120 /nfs/dbraw/zinc/15/01/20/247150120.db2.gz NVZXAZJWLSSJIW-PWNZVWSESA-N 2 1 352.458 0.949 20 0 FCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000423920936 247150550 /nfs/dbraw/zinc/15/05/50/247150550.db2.gz HFLKUJXIAXNPJC-IHRRRGAJSA-N 2 1 352.458 0.949 20 0 FCADMP [NH3+]C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000423972394 247156354 /nfs/dbraw/zinc/15/63/54/247156354.db2.gz ZNHBNQGWPQLBSY-SJORKVTESA-N 2 1 366.506 0.333 20 0 FCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1(C[NH3+])CCC1 ZINC000423705835 247118452 /nfs/dbraw/zinc/11/84/52/247118452.db2.gz PMEFMJYQIMWXHK-HNNXBMFYSA-N 2 1 352.479 0.040 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423718949 247125094 /nfs/dbraw/zinc/12/50/94/247125094.db2.gz LZXMYIQTNQDSAM-OXQOHEQNSA-N 2 1 358.486 0.917 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@@H]1C[NH3+] ZINC000423722508 247126235 /nfs/dbraw/zinc/12/62/35/247126235.db2.gz FXBYIWWCNBSLDR-HYVNUMGLSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H]1C[NH3+] ZINC000423722513 247126958 /nfs/dbraw/zinc/12/69/58/247126958.db2.gz FXBYIWWCNBSLDR-PVAVHDDUSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@H]1C[NH3+] ZINC000423722511 247127083 /nfs/dbraw/zinc/12/70/83/247127083.db2.gz FXBYIWWCNBSLDR-OIISXLGYSA-N 2 1 350.507 0.763 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423730586 247130515 /nfs/dbraw/zinc/13/05/15/247130515.db2.gz LIVCPDJZLDTXJQ-GDBMZVCRSA-N 2 1 350.463 0.756 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000424141536 247171624 /nfs/dbraw/zinc/17/16/24/247171624.db2.gz CWKORQDZHQCSBB-HOTGVXAUSA-N 2 1 362.478 0.387 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000424136207 247172620 /nfs/dbraw/zinc/17/26/20/247172620.db2.gz ADYOMSILLSMOET-LSDHHAIUSA-N 2 1 350.467 0.385 20 0 FCADMP CC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000424136207 247172628 /nfs/dbraw/zinc/17/26/28/247172628.db2.gz ADYOMSILLSMOET-LSDHHAIUSA-N 2 1 350.467 0.385 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492256 247238657 /nfs/dbraw/zinc/23/86/57/247238657.db2.gz HFXSNYZARYDLTI-XGXHKWSGSA-N 2 1 370.497 0.915 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000424495084 247239628 /nfs/dbraw/zinc/23/96/28/247239628.db2.gz PDDJZUSRLZDQIS-CABCVRRESA-N 2 1 354.495 0.284 20 0 FCADMP [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424518224 247248269 /nfs/dbraw/zinc/24/82/69/247248269.db2.gz HNWGYTJXOLYAFS-RCCFBDPRSA-N 2 1 356.470 0.573 20 0 FCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000424441531 247214983 /nfs/dbraw/zinc/21/49/83/247214983.db2.gz TWORDOJOGGRYPT-KRWDZBQOSA-N 2 1 362.474 0.865 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000425382798 247329846 /nfs/dbraw/zinc/32/98/46/247329846.db2.gz HYQCHZACSGWOLJ-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H]1C ZINC000425396793 247334845 /nfs/dbraw/zinc/33/48/45/247334845.db2.gz ZHYSHNSHOQTOBG-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H]1C ZINC000425396793 247334849 /nfs/dbraw/zinc/33/48/49/247334849.db2.gz ZHYSHNSHOQTOBG-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H]1C ZINC000425396793 247334851 /nfs/dbraw/zinc/33/48/51/247334851.db2.gz ZHYSHNSHOQTOBG-LTIDMASMSA-N 2 1 350.507 0.870 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000425408015 247336229 /nfs/dbraw/zinc/33/62/29/247336229.db2.gz WOFLARGSIJIVRP-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000425408015 247336232 /nfs/dbraw/zinc/33/62/32/247336232.db2.gz WOFLARGSIJIVRP-OAHLLOKOSA-N 2 1 354.495 0.108 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000435496221 247999424 /nfs/dbraw/zinc/99/94/24/247999424.db2.gz JMCTXQYICORYTD-UHFFFAOYSA-N 2 1 352.483 0.786 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438883170 248098970 /nfs/dbraw/zinc/09/89/70/248098970.db2.gz LZNJDWFRBIWFPD-KRWDZBQOSA-N 2 1 371.485 0.707 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000439164492 248112427 /nfs/dbraw/zinc/11/24/27/248112427.db2.gz BTHAORWYFBNLIN-NVXWUHKLSA-N 2 1 368.522 0.483 20 0 FCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442605593 248293121 /nfs/dbraw/zinc/29/31/21/248293121.db2.gz DHPMYHIJHHDASE-KRWDZBQOSA-N 2 1 369.554 0.765 20 0 FCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179625 248349776 /nfs/dbraw/zinc/34/97/76/248349776.db2.gz ZTXZJCZAQHQQOK-LBTNJELSSA-N 2 1 354.495 0.223 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C1 ZINC000444261554 248353897 /nfs/dbraw/zinc/35/38/97/248353897.db2.gz FYCQJKQFPTXAJJ-AOIWGVFYSA-N 2 1 350.507 0.239 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445863919 248378903 /nfs/dbraw/zinc/37/89/03/248378903.db2.gz ZRECRQOOZMFYCJ-UHFFFAOYSA-N 2 1 353.511 0.761 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c2ccccc2)CC1 ZINC000452345731 249306800 /nfs/dbraw/zinc/30/68/00/249306800.db2.gz FNJVKMJIIVXNJC-UXHICEINSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)c2ccccc2)CC1 ZINC000452345731 249306802 /nfs/dbraw/zinc/30/68/02/249306802.db2.gz FNJVKMJIIVXNJC-UXHICEINSA-N 2 1 374.529 0.938 20 0 FCADMP C[NH+]1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000270973644 211310111 /nfs/dbraw/zinc/31/01/11/211310111.db2.gz KENYMQUONPNKIA-CABCVRRESA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)Cc1occc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000270973644 211310113 /nfs/dbraw/zinc/31/01/13/211310113.db2.gz KENYMQUONPNKIA-CABCVRRESA-N 2 1 362.474 0.857 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)Cc1occc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000270973644 211310115 /nfs/dbraw/zinc/31/01/15/211310115.db2.gz KENYMQUONPNKIA-CABCVRRESA-N 2 1 362.474 0.857 20 0 FCADMP NC(=O)c1csc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469862868 250009914 /nfs/dbraw/zinc/00/99/14/250009914.db2.gz BAUVFBUFYSVSRT-DOMZBBRYSA-N 2 1 350.488 0.927 20 0 FCADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000469990912 250018954 /nfs/dbraw/zinc/01/89/54/250018954.db2.gz KTZSLOOBHSFCFZ-MRXNPFEDSA-N 2 1 363.458 0.915 20 0 FCADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000471650805 250113938 /nfs/dbraw/zinc/11/39/38/250113938.db2.gz WYJQXIAMKMZPPQ-ROUUACIJSA-N 2 1 364.490 0.499 20 0 FCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278681 250142526 /nfs/dbraw/zinc/14/25/26/250142526.db2.gz OEFIPUOMKQLQFP-WMZOPIPTSA-N 2 1 368.522 0.498 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000472278679 250142891 /nfs/dbraw/zinc/14/28/91/250142891.db2.gz OEFIPUOMKQLQFP-FUHWJXTLSA-N 2 1 368.522 0.498 20 0 FCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472759455 250178639 /nfs/dbraw/zinc/17/86/39/250178639.db2.gz ZXVPRUUITOVXFQ-NVXWUHKLSA-N 2 1 357.568 0.749 20 0 FCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)NC)CC2)[C@@H](C)C1 ZINC000480818946 250285193 /nfs/dbraw/zinc/28/51/93/250285193.db2.gz GZRNLPCHLZCZLG-FUHWJXTLSA-N 2 1 354.539 0.923 20 0 FCADMP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)CN1CC[NH+](C)CC1 ZINC000481697203 250349535 /nfs/dbraw/zinc/34/95/35/250349535.db2.gz PHWOLYJXRARBCK-WBVHZDCISA-N 2 1 357.568 0.606 20 0 FCADMP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)CC2)[nH+]1 ZINC000481821005 250363634 /nfs/dbraw/zinc/36/36/34/250363634.db2.gz AXQHPSSEOXLARG-YOEHRIQHSA-N 2 1 373.501 0.884 20 0 FCADMP O[C@H](COc1ccccc1)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000482149048 250379257 /nfs/dbraw/zinc/37/92/57/250379257.db2.gz UNWCLGULOAHARB-IBGZPJMESA-N 2 1 363.502 0.766 20 0 FCADMP O[C@H](COc1ccccc1)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000482149048 250379263 /nfs/dbraw/zinc/37/92/63/250379263.db2.gz UNWCLGULOAHARB-IBGZPJMESA-N 2 1 363.502 0.766 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC[N@H+]1C ZINC000947072218 674144768 /nfs/dbraw/zinc/14/47/68/674144768.db2.gz BPEIAZZKZBAEPD-KBRIMQKVSA-N 2 1 350.507 0.774 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413489059 532990948 /nfs/dbraw/zinc/99/09/48/532990948.db2.gz QXWBFZHCRNBGJW-HZPDHXFCSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+](C)C1 ZINC000413489059 532990952 /nfs/dbraw/zinc/99/09/52/532990952.db2.gz QXWBFZHCRNBGJW-HZPDHXFCSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+](C)C1 ZINC000413489059 532990958 /nfs/dbraw/zinc/99/09/58/532990958.db2.gz QXWBFZHCRNBGJW-HZPDHXFCSA-N 2 1 370.494 0.234 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413111562 532994419 /nfs/dbraw/zinc/99/44/19/532994419.db2.gz UGXCRVQSGTTZIY-OWCLPIDISA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413111562 532994422 /nfs/dbraw/zinc/99/44/22/532994422.db2.gz UGXCRVQSGTTZIY-OWCLPIDISA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+](C)C1 ZINC000413111562 532994427 /nfs/dbraw/zinc/99/44/27/532994427.db2.gz UGXCRVQSGTTZIY-OWCLPIDISA-N 2 1 354.495 0.853 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@@H+](C)C1 ZINC000413052906 532995772 /nfs/dbraw/zinc/99/57/72/532995772.db2.gz IRRMZNYJPWUMCJ-HZPDHXFCSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052906 532995776 /nfs/dbraw/zinc/99/57/76/532995776.db2.gz IRRMZNYJPWUMCJ-HZPDHXFCSA-N 2 1 370.494 0.089 20 0 FCADMP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[NH+](C)C1 ZINC000413052906 532995782 /nfs/dbraw/zinc/99/57/82/532995782.db2.gz IRRMZNYJPWUMCJ-HZPDHXFCSA-N 2 1 370.494 0.089 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000066568113 208019375 /nfs/dbraw/zinc/01/93/75/208019375.db2.gz FVBOLLJRLOJXOQ-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000079598728 208089759 /nfs/dbraw/zinc/08/97/59/208089759.db2.gz XYRIVPRQGRSYIY-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000111660822 208285110 /nfs/dbraw/zinc/28/51/10/208285110.db2.gz AZPGUGDJDZCONP-HXUWFJFHSA-N 2 1 373.545 0.729 20 0 FCADMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000931872084 674149123 /nfs/dbraw/zinc/14/91/23/674149123.db2.gz GHSUNLVUIBPSBA-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000931872084 674149125 /nfs/dbraw/zinc/14/91/25/674149125.db2.gz GHSUNLVUIBPSBA-KRWDZBQOSA-N 2 1 350.507 0.921 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000117028843 208338529 /nfs/dbraw/zinc/33/85/29/208338529.db2.gz HOVSMLOOXXGFGI-BZUAXINKSA-N 2 1 356.511 0.846 20 0 FCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000120923751 208394376 /nfs/dbraw/zinc/39/43/76/208394376.db2.gz GKHLDTLWWCBECZ-HNNXBMFYSA-N 2 1 362.474 0.771 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000266771354 210399026 /nfs/dbraw/zinc/39/90/26/210399026.db2.gz AYEFSHBQUBVYCP-OAHLLOKOSA-N 2 1 361.446 0.336 20 0 FCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000266771354 210399031 /nfs/dbraw/zinc/39/90/31/210399031.db2.gz AYEFSHBQUBVYCP-OAHLLOKOSA-N 2 1 361.446 0.336 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000177930090 209039277 /nfs/dbraw/zinc/03/92/77/209039277.db2.gz XIXMZEIICBYLLE-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000177930090 209039281 /nfs/dbraw/zinc/03/92/81/209039281.db2.gz XIXMZEIICBYLLE-JKSUJKDBSA-N 2 1 351.495 0.276 20 0 FCADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000178672066 209057837 /nfs/dbraw/zinc/05/78/37/209057837.db2.gz GZGNMZOZCJKUQA-CQSZACIVSA-N 2 1 368.503 0.409 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000178700289 209058962 /nfs/dbraw/zinc/05/89/62/209058962.db2.gz XPWQUALSUTXAOP-UHFFFAOYSA-N 2 1 358.486 0.588 20 0 FCADMP CCCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)[C@@H]1CC[NH2+]C1 ZINC000178890648 209063382 /nfs/dbraw/zinc/06/33/82/209063382.db2.gz KAHNFBLAPBJNHT-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000247179588 533664176 /nfs/dbraw/zinc/66/41/76/533664176.db2.gz BHJVLWLNBCEWLJ-WBVHZDCISA-N 2 1 363.506 0.940 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186514025 229235709 /nfs/dbraw/zinc/23/57/09/229235709.db2.gz LLXNMQWTPVWELL-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186514025 229235713 /nfs/dbraw/zinc/23/57/13/229235713.db2.gz LLXNMQWTPVWELL-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186514025 229235715 /nfs/dbraw/zinc/23/57/15/229235715.db2.gz LLXNMQWTPVWELL-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186514025 229235719 /nfs/dbraw/zinc/23/57/19/229235719.db2.gz LLXNMQWTPVWELL-OALUTQOASA-N 2 1 361.486 0.457 20 0 FCADMP COCC[N@@H+](CCOc1ccc(F)cc1)CCC(=O)N1CC[NH2+]CC1 ZINC000262251032 229301110 /nfs/dbraw/zinc/30/11/10/229301110.db2.gz WVHVECOWJYABBY-UHFFFAOYSA-N 2 1 353.438 0.975 20 0 FCADMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410781318 230246543 /nfs/dbraw/zinc/24/65/43/230246543.db2.gz BSMXERTYRGSBHB-IRXDYDNUSA-N 2 1 350.507 0.729 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779694 230247029 /nfs/dbraw/zinc/24/70/29/230247029.db2.gz MAMAKDWJFMJFOU-JKSUJKDBSA-N 2 1 350.507 0.872 20 0 FCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410956764 230326393 /nfs/dbraw/zinc/32/63/93/230326393.db2.gz ZKFQNWQPEUJCTQ-CVEARBPZSA-N 2 1 350.507 0.872 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000933851471 674277129 /nfs/dbraw/zinc/27/71/29/674277129.db2.gz YOIVCWMCKRRFIQ-INIZCTEOSA-N 2 1 350.507 0.921 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000934259883 674289323 /nfs/dbraw/zinc/28/93/23/674289323.db2.gz LCJAFAYKALBWQF-QZTJIDSGSA-N 2 1 352.523 0.506 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000605429730 484250815 /nfs/dbraw/zinc/25/08/15/484250815.db2.gz QVCRCETYCOYECZ-UHFFFAOYSA-N 2 1 366.466 0.059 20 0 FCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000287539080 488879242 /nfs/dbraw/zinc/87/92/42/488879242.db2.gz JCJGQILKVJRBPV-MRXNPFEDSA-N 2 1 361.490 0.754 20 0 FCADMP Cn1cc(N2CC[C@H]([NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)C2=O)cn1 ZINC000363795813 488885920 /nfs/dbraw/zinc/88/59/20/488885920.db2.gz NFROHUHAAQURAE-SFHVURJKSA-N 2 1 374.533 0.875 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000287839095 488911754 /nfs/dbraw/zinc/91/17/54/488911754.db2.gz QKUPPZYNTGNFRR-UHFFFAOYSA-N 2 1 370.457 0.792 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278968275 488907677 /nfs/dbraw/zinc/90/76/77/488907677.db2.gz IQYDEIFLMKVBEI-CZUORRHYSA-N 2 1 362.478 0.159 20 0 FCADMP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364163019 488929854 /nfs/dbraw/zinc/92/98/54/488929854.db2.gz OITPGDCVDVWOLI-IRXDYDNUSA-N 2 1 356.511 0.849 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000364215132 488936817 /nfs/dbraw/zinc/93/68/17/488936817.db2.gz NKMJRAZMKFIWKJ-FXAWDEMLSA-N 2 1 356.470 0.941 20 0 FCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000364230927 488938931 /nfs/dbraw/zinc/93/89/31/488938931.db2.gz VAVNDNZHUCXVLQ-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000364230927 488938935 /nfs/dbraw/zinc/93/89/35/488938935.db2.gz VAVNDNZHUCXVLQ-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC1 ZINC000364230927 488938939 /nfs/dbraw/zinc/93/89/39/488938939.db2.gz VAVNDNZHUCXVLQ-MRXNPFEDSA-N 2 1 353.511 0.176 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000364283029 488943592 /nfs/dbraw/zinc/94/35/92/488943592.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283029 488943594 /nfs/dbraw/zinc/94/35/94/488943594.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 2 1 367.538 0.517 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283029 488943597 /nfs/dbraw/zinc/94/35/97/488943597.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 2 1 367.538 0.517 20 0 FCADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043860321 487906261 /nfs/dbraw/zinc/90/62/61/487906261.db2.gz HFAJTPIULHYYOR-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043860321 487906268 /nfs/dbraw/zinc/90/62/68/487906268.db2.gz HFAJTPIULHYYOR-INIZCTEOSA-N 2 1 353.511 0.714 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000046230695 487973364 /nfs/dbraw/zinc/97/33/64/487973364.db2.gz WNCQZQVJHWEUFF-UHFFFAOYSA-N 2 1 360.462 0.077 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000046869084 487995708 /nfs/dbraw/zinc/99/57/08/487995708.db2.gz SBGWOZXHCPEBCH-DLBZAZTESA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000046869084 487995713 /nfs/dbraw/zinc/99/57/13/487995713.db2.gz SBGWOZXHCPEBCH-DLBZAZTESA-N 2 1 365.522 0.903 20 0 FCADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000048745043 488081658 /nfs/dbraw/zinc/08/16/58/488081658.db2.gz KJCHMJZHUFBPEA-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000048745043 488081664 /nfs/dbraw/zinc/08/16/64/488081664.db2.gz KJCHMJZHUFBPEA-ZDUSSCGKSA-N 2 1 351.447 0.999 20 0 FCADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000048745042 488082229 /nfs/dbraw/zinc/08/22/29/488082229.db2.gz KJCHMJZHUFBPEA-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000048745042 488082233 /nfs/dbraw/zinc/08/22/33/488082233.db2.gz KJCHMJZHUFBPEA-CYBMUJFWSA-N 2 1 351.447 0.999 20 0 FCADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)NCc1ccco1 ZINC000051957199 488152307 /nfs/dbraw/zinc/15/23/07/488152307.db2.gz HLABUDRGFSCKKI-UHFFFAOYSA-N 2 1 364.446 0.650 20 0 FCADMP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958507 488152383 /nfs/dbraw/zinc/15/23/83/488152383.db2.gz SZVPQPCZIYGSOD-KRWDZBQOSA-N 2 1 369.506 0.735 20 0 FCADMP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000569793451 491191673 /nfs/dbraw/zinc/19/16/73/491191673.db2.gz NLSDYNQBJXJQFE-HUUCEWRRSA-N 2 1 351.495 0.323 20 0 FCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562816602 491192135 /nfs/dbraw/zinc/19/21/35/491192135.db2.gz VETIDWDFMNSQAO-CHWSQXEVSA-N 2 1 351.417 0.558 20 0 FCADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)NC1CCCC1 ZINC000069030211 488370384 /nfs/dbraw/zinc/37/03/84/488370384.db2.gz CJDXWXXRNVCVJU-UHFFFAOYSA-N 2 1 352.479 0.799 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000069407845 488372292 /nfs/dbraw/zinc/37/22/92/488372292.db2.gz HUPUFJKMOPKCHT-JKSUJKDBSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000069407845 488372293 /nfs/dbraw/zinc/37/22/93/488372293.db2.gz HUPUFJKMOPKCHT-JKSUJKDBSA-N 2 1 351.495 0.465 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000072835988 488382922 /nfs/dbraw/zinc/38/29/22/488382922.db2.gz SZSWBTGVHCVUQY-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000072835988 488382923 /nfs/dbraw/zinc/38/29/23/488382923.db2.gz SZSWBTGVHCVUQY-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859802 488383210 /nfs/dbraw/zinc/38/32/10/488383210.db2.gz XDRFFVVCFPLESM-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859802 488383211 /nfs/dbraw/zinc/38/32/11/488383211.db2.gz XDRFFVVCFPLESM-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000072859802 488383212 /nfs/dbraw/zinc/38/32/12/488383212.db2.gz XDRFFVVCFPLESM-CQSZACIVSA-N 2 1 368.503 0.936 20 0 FCADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000073534183 488384750 /nfs/dbraw/zinc/38/47/50/488384750.db2.gz QKLMEVLCSAMWKV-LJQANCHMSA-N 2 1 364.490 0.631 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(N)=O)CC1 ZINC000073601979 488385364 /nfs/dbraw/zinc/38/53/64/488385364.db2.gz KLDLYMDLFDBAHY-CRAIPNDOSA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073822230 488386531 /nfs/dbraw/zinc/38/65/31/488386531.db2.gz AJDKVOQJEZFXJE-LPHOPBHVSA-N 2 1 370.538 0.879 20 0 FCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000073822230 488386532 /nfs/dbraw/zinc/38/65/32/488386532.db2.gz AJDKVOQJEZFXJE-LPHOPBHVSA-N 2 1 370.538 0.879 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098365 488387383 /nfs/dbraw/zinc/38/73/83/488387383.db2.gz SBGRQLNPFSKSMZ-KURKYZTESA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098365 488387384 /nfs/dbraw/zinc/38/73/84/488387384.db2.gz SBGRQLNPFSKSMZ-KURKYZTESA-N 2 1 367.538 0.422 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098365 488387385 /nfs/dbraw/zinc/38/73/85/488387385.db2.gz SBGRQLNPFSKSMZ-KURKYZTESA-N 2 1 367.538 0.422 20 0 FCADMP COC(=O)CCN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000192790681 488423959 /nfs/dbraw/zinc/42/39/59/488423959.db2.gz SNMZXQGOKKMNIS-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000192790681 488423961 /nfs/dbraw/zinc/42/39/61/488423961.db2.gz SNMZXQGOKKMNIS-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP COC(=O)CC[N@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000192790681 488423963 /nfs/dbraw/zinc/42/39/63/488423963.db2.gz SNMZXQGOKKMNIS-GOSISDBHSA-N 2 1 354.539 0.972 20 0 FCADMP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000079121291 488427257 /nfs/dbraw/zinc/42/72/57/488427257.db2.gz NNNXYYQYCZTZHT-KRWDZBQOSA-N 2 1 361.490 0.753 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000562865043 491197469 /nfs/dbraw/zinc/19/74/69/491197469.db2.gz BYXFXUKCFQMLAG-ZBFHGGJFSA-N 2 1 366.506 0.345 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079432822 488429447 /nfs/dbraw/zinc/42/94/47/488429447.db2.gz HZMPSPNPXCLIOM-HNNXBMFYSA-N 2 1 365.522 0.761 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079432822 488429450 /nfs/dbraw/zinc/42/94/50/488429450.db2.gz HZMPSPNPXCLIOM-HNNXBMFYSA-N 2 1 365.522 0.761 20 0 FCADMP C[NH+]1CCN(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000079796739 488431418 /nfs/dbraw/zinc/43/14/18/488431418.db2.gz NMKUJRSORZPGRG-UHFFFAOYSA-N 2 1 359.518 0.562 20 0 FCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000079810115 488432056 /nfs/dbraw/zinc/43/20/56/488432056.db2.gz DGJAQYMYWDQCPM-UHFFFAOYSA-N 2 1 374.529 0.686 20 0 FCADMP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000194476544 488432763 /nfs/dbraw/zinc/43/27/63/488432763.db2.gz VRUOBOWCEIDJBO-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000246126424 488469894 /nfs/dbraw/zinc/46/98/94/488469894.db2.gz LXYWBNLZOYGEPJ-FGTMMUONSA-N 2 1 370.538 0.689 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C1 ZINC000246262174 488471351 /nfs/dbraw/zinc/47/13/51/488471351.db2.gz LCJUVKZBWAGKFH-VQTJNVASSA-N 2 1 374.529 0.982 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269226884 488480663 /nfs/dbraw/zinc/48/06/63/488480663.db2.gz FILWAIGHQZGSTJ-UHFFFAOYSA-N 2 1 371.485 0.930 20 0 FCADMP COC1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000269254210 488483061 /nfs/dbraw/zinc/48/30/61/488483061.db2.gz IVOKPGUUNAEXSN-INIZCTEOSA-N 2 1 361.490 0.477 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269256434 488483401 /nfs/dbraw/zinc/48/34/01/488483401.db2.gz SLTVLRKYRSLZOU-NVXWUHKLSA-N 2 1 360.458 0.701 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000562934303 491201667 /nfs/dbraw/zinc/20/16/67/491201667.db2.gz IFLKMSVUEYALIL-FUHIMQAGSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1CCO ZINC000562934303 491201668 /nfs/dbraw/zinc/20/16/68/491201668.db2.gz IFLKMSVUEYALIL-FUHIMQAGSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1CCO ZINC000562934303 491201671 /nfs/dbraw/zinc/20/16/71/491201671.db2.gz IFLKMSVUEYALIL-FUHIMQAGSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000562934303 491201674 /nfs/dbraw/zinc/20/16/74/491201674.db2.gz IFLKMSVUEYALIL-FUHIMQAGSA-N 2 1 361.486 0.537 20 0 FCADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000247570866 488488400 /nfs/dbraw/zinc/48/84/00/488488400.db2.gz WPEZTCKPBYJUKC-SOUVJXGZSA-N 2 1 361.552 0.976 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000248894641 488503854 /nfs/dbraw/zinc/50/38/54/488503854.db2.gz YDCJTSBFHHTIEY-LSDHHAIUSA-N 2 1 353.511 0.616 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000248894641 488503856 /nfs/dbraw/zinc/50/38/56/488503856.db2.gz YDCJTSBFHHTIEY-LSDHHAIUSA-N 2 1 353.511 0.616 20 0 FCADMP C[C@@H](O)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)CO ZINC000248927138 488504633 /nfs/dbraw/zinc/50/46/33/488504633.db2.gz LUJNUXMAHRYKLW-IAGOWNOFSA-N 2 1 363.502 0.962 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104801322 488505586 /nfs/dbraw/zinc/50/55/86/488505586.db2.gz DSNJEMCQNRVFER-GJZGRUSLSA-N 2 1 353.511 0.711 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104786752 488505774 /nfs/dbraw/zinc/50/57/74/488505774.db2.gz BYCRTXFPFRGCIW-INIZCTEOSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000569928802 491203961 /nfs/dbraw/zinc/20/39/61/491203961.db2.gz GTGZTVXBRFBNMN-KONPQCLYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000569928804 491203974 /nfs/dbraw/zinc/20/39/74/491203974.db2.gz GTGZTVXBRFBNMN-YFHUEUNASA-N 2 1 366.506 0.202 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)n1 ZINC000249731446 488513950 /nfs/dbraw/zinc/51/39/50/488513950.db2.gz AOLODKUJEQVPAD-HUUCEWRRSA-N 2 1 359.474 0.730 20 0 FCADMP C[NH+]1CCC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000249942416 488515481 /nfs/dbraw/zinc/51/54/81/488515481.db2.gz WVSFSQJYGPCHPD-IAGOWNOFSA-N 2 1 359.474 0.730 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000109182033 488522393 /nfs/dbraw/zinc/52/23/93/488522393.db2.gz PBWOLGVIIUEFGV-SFHVURJKSA-N 2 1 374.485 0.780 20 0 FCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000109182033 488522395 /nfs/dbraw/zinc/52/23/95/488522395.db2.gz PBWOLGVIIUEFGV-SFHVURJKSA-N 2 1 374.485 0.780 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCc1ccccc1 ZINC000261558695 488526307 /nfs/dbraw/zinc/52/63/07/488526307.db2.gz HVEDNUXFDMCBDI-QZTJIDSGSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1=O ZINC000261635158 488528358 /nfs/dbraw/zinc/52/83/58/488528358.db2.gz BGHROVBTPUKAEB-NVXWUHKLSA-N 2 1 362.449 0.709 20 0 FCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1=O ZINC000261635153 488528514 /nfs/dbraw/zinc/52/85/14/488528514.db2.gz BGHROVBTPUKAEB-DOTOQJQBSA-N 2 1 362.449 0.709 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000111493355 488529588 /nfs/dbraw/zinc/52/95/88/488529588.db2.gz WJJWLHYRXRQBPF-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493355 488529589 /nfs/dbraw/zinc/52/95/89/488529589.db2.gz WJJWLHYRXRQBPF-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493355 488529590 /nfs/dbraw/zinc/52/95/90/488529590.db2.gz WJJWLHYRXRQBPF-HOTGVXAUSA-N 2 1 353.511 0.747 20 0 FCADMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261687033 488530870 /nfs/dbraw/zinc/53/08/70/488530870.db2.gz CYJRSVFWLVRKLS-HUUCEWRRSA-N 2 1 363.462 0.892 20 0 FCADMP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000261695719 488531539 /nfs/dbraw/zinc/53/15/39/488531539.db2.gz BHPGOQWCGYJJIX-MRXNPFEDSA-N 2 1 356.478 0.108 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261847634 488538699 /nfs/dbraw/zinc/53/86/99/488538699.db2.gz MDWASASEQYXCCZ-WBVHZDCISA-N 2 1 369.469 0.775 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261877238 488539417 /nfs/dbraw/zinc/53/94/17/488539417.db2.gz UGHNCRYMEPXGOX-DYVFJYSZSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261877238 488539419 /nfs/dbraw/zinc/53/94/19/488539419.db2.gz UGHNCRYMEPXGOX-DYVFJYSZSA-N 2 1 368.503 0.052 20 0 FCADMP O=C(CC[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1)N1CC[NH2+]CC1 ZINC000261955308 488543543 /nfs/dbraw/zinc/54/35/43/488543543.db2.gz AABOCHNPKFMPOH-UHFFFAOYSA-N 2 1 362.449 0.796 20 0 FCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262269853 488560447 /nfs/dbraw/zinc/56/04/47/488560447.db2.gz SGOHHUOFNZCBPC-BRWVUGGUSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120902556 488564005 /nfs/dbraw/zinc/56/40/05/488564005.db2.gz XTWWDKPJUCWJEL-HDICACEKSA-N 2 1 351.539 0.251 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120902556 488564007 /nfs/dbraw/zinc/56/40/07/488564007.db2.gz XTWWDKPJUCWJEL-HDICACEKSA-N 2 1 351.539 0.251 20 0 FCADMP CCOC(=O)C1CCC(O)(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000562988260 491206040 /nfs/dbraw/zinc/20/60/40/491206040.db2.gz VCXNHZGPAAXGFS-KOHRHEQBSA-N 2 1 369.506 0.648 20 0 FCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262392487 488567923 /nfs/dbraw/zinc/56/79/23/488567923.db2.gz OJYKWVVKYGBKHF-HXUWFJFHSA-N 2 1 371.529 0.310 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)C1 ZINC000262650706 488584683 /nfs/dbraw/zinc/58/46/83/488584683.db2.gz QVEXAQALJQBWKF-ZWKOTPCHSA-N 2 1 358.486 1.000 20 0 FCADMP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262782153 488592801 /nfs/dbraw/zinc/59/28/01/488592801.db2.gz LKZZNLAJQNACMK-INIZCTEOSA-N 2 1 354.882 0.942 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000124634312 488594628 /nfs/dbraw/zinc/59/46/28/488594628.db2.gz WPAWCPPJUCJVAF-AWEZNQCLSA-N 2 1 350.467 0.233 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262836288 488596292 /nfs/dbraw/zinc/59/62/92/488596292.db2.gz QUCYPSQNYBWWNS-KRWDZBQOSA-N 2 1 362.522 0.811 20 0 FCADMP CC(C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](C)CC1 ZINC000262889328 488598092 /nfs/dbraw/zinc/59/80/92/488598092.db2.gz ZZSSDYKYTGSAQT-WMZOPIPTSA-N 2 1 362.522 0.809 20 0 FCADMP C[NH+](C)CCOc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccn1 ZINC000272728997 488601131 /nfs/dbraw/zinc/60/11/31/488601131.db2.gz ZHEPPNHCYXKKAC-OAHLLOKOSA-N 2 1 363.462 0.092 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000126047991 488606331 /nfs/dbraw/zinc/60/63/31/488606331.db2.gz IPNOZVWZAJBADJ-ZFWWWQNUSA-N 2 1 351.495 0.463 20 0 FCADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000126047991 488606332 /nfs/dbraw/zinc/60/63/32/488606332.db2.gz IPNOZVWZAJBADJ-ZFWWWQNUSA-N 2 1 351.495 0.463 20 0 FCADMP COC[C@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000563064037 491211984 /nfs/dbraw/zinc/21/19/84/491211984.db2.gz OTIDEGCZWOACBP-IBGZPJMESA-N 2 1 361.490 0.336 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563077665 491213392 /nfs/dbraw/zinc/21/33/92/491213392.db2.gz NFCPHUOPTBOSJA-NJAFHUGGSA-N 2 1 358.486 0.881 20 0 FCADMP C[NH+]1CCN(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000273155172 488635240 /nfs/dbraw/zinc/63/52/40/488635240.db2.gz XRQNZVXQSOVGTK-IBGZPJMESA-N 2 1 360.502 0.548 20 0 FCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000130653616 488639296 /nfs/dbraw/zinc/63/92/96/488639296.db2.gz NFFLLFZFBARFQW-UHFFFAOYSA-N 2 1 352.523 0.929 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)N1CC[NH+](C)CC1 ZINC000273341807 488644961 /nfs/dbraw/zinc/64/49/61/488644961.db2.gz QQGGOWNZSZMQAP-YZGWKJHDSA-N 2 1 374.529 0.622 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)N1CC[NH+](C)CC1 ZINC000273341807 488644962 /nfs/dbraw/zinc/64/49/62/488644962.db2.gz QQGGOWNZSZMQAP-YZGWKJHDSA-N 2 1 374.529 0.622 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133505398 488659900 /nfs/dbraw/zinc/65/99/00/488659900.db2.gz PTXNKXMATYYLQQ-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133505398 488659903 /nfs/dbraw/zinc/65/99/03/488659903.db2.gz PTXNKXMATYYLQQ-IBGZPJMESA-N 2 1 360.502 0.641 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000570093175 491215764 /nfs/dbraw/zinc/21/57/64/491215764.db2.gz JZBRQJLHFSLMDF-UKRRQHHQSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000570093175 491215766 /nfs/dbraw/zinc/21/57/66/491215766.db2.gz JZBRQJLHFSLMDF-UKRRQHHQSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000570093172 491216178 /nfs/dbraw/zinc/21/61/78/491216178.db2.gz JZBRQJLHFSLMDF-HIFRSBDPSA-N 2 1 368.503 0.052 20 0 FCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000570093172 491216180 /nfs/dbraw/zinc/21/61/80/491216180.db2.gz JZBRQJLHFSLMDF-HIFRSBDPSA-N 2 1 368.503 0.052 20 0 FCADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1S(N)(=O)=O ZINC000570100958 491216644 /nfs/dbraw/zinc/21/66/44/491216644.db2.gz ZWCVPZIFSQJTTA-UHFFFAOYSA-N 2 1 354.476 0.642 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CCO)CCCO)CC1 ZINC000264650129 488694679 /nfs/dbraw/zinc/69/46/79/488694679.db2.gz XUDRQWMBLIERKH-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CCO)CCCO)CC1 ZINC000264650129 488694681 /nfs/dbraw/zinc/69/46/81/488694681.db2.gz XUDRQWMBLIERKH-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CCO)CCCO)CC1 ZINC000264650129 488694684 /nfs/dbraw/zinc/69/46/84/488694684.db2.gz XUDRQWMBLIERKH-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](CCO)CCCO)CC1 ZINC000264650129 488694686 /nfs/dbraw/zinc/69/46/86/488694686.db2.gz XUDRQWMBLIERKH-UHFFFAOYSA-N 2 1 363.502 0.706 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000264698452 488699700 /nfs/dbraw/zinc/69/97/00/488699700.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698452 488699701 /nfs/dbraw/zinc/69/97/01/488699701.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 1 359.518 0.978 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@H+]1CCc2ccccc2C1 ZINC000264698452 488699703 /nfs/dbraw/zinc/69/97/03/488699703.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 1 359.518 0.978 20 0 FCADMP C[NH+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152369510 488716754 /nfs/dbraw/zinc/71/67/54/488716754.db2.gz BBUHJNIFTGREEO-QGZVFWFLSA-N 2 1 360.506 0.789 20 0 FCADMP C[NH+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152369510 488716755 /nfs/dbraw/zinc/71/67/55/488716755.db2.gz BBUHJNIFTGREEO-QGZVFWFLSA-N 2 1 360.506 0.789 20 0 FCADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000152385709 488716952 /nfs/dbraw/zinc/71/69/52/488716952.db2.gz LNYSAJCSJVWJPL-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000152385709 488716954 /nfs/dbraw/zinc/71/69/54/488716954.db2.gz LNYSAJCSJVWJPL-AEFFLSMTSA-N 2 1 356.511 0.489 20 0 FCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000570077732 491214844 /nfs/dbraw/zinc/21/48/44/491214844.db2.gz OLCZKCVMAMXLNA-XMTFNYHQSA-N 2 1 362.518 0.777 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264842945 488718255 /nfs/dbraw/zinc/71/82/55/488718255.db2.gz LJYGMUWIHYXKNG-IAGOWNOFSA-N 2 1 351.470 0.973 20 0 FCADMP COc1cc(CNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000266816965 488733496 /nfs/dbraw/zinc/73/34/96/488733496.db2.gz IWWUJYQRFOSJPN-QGZVFWFLSA-N 2 1 351.447 0.582 20 0 FCADMP COc1cc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000266816965 488733498 /nfs/dbraw/zinc/73/34/98/488733498.db2.gz IWWUJYQRFOSJPN-QGZVFWFLSA-N 2 1 351.447 0.582 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000266826846 488734755 /nfs/dbraw/zinc/73/47/55/488734755.db2.gz DCHPJTQGGJDTQI-UHFFFAOYSA-N 2 1 363.462 0.583 20 0 FCADMP COc1c(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)nn1C ZINC000153812055 488735400 /nfs/dbraw/zinc/73/54/00/488735400.db2.gz SYQVTZCMIIMYNC-UHFFFAOYSA-N 2 1 366.510 0.905 20 0 FCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136975 488762480 /nfs/dbraw/zinc/76/24/80/488762480.db2.gz WKYHCTRHVDKVPZ-IKGGRYGDSA-N 2 1 360.506 0.834 20 0 FCADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000275212169 488773222 /nfs/dbraw/zinc/77/32/22/488773222.db2.gz IDFPABSSIWEGMM-CQSZACIVSA-N 2 1 368.503 0.491 20 0 FCADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000275212169 488773224 /nfs/dbraw/zinc/77/32/24/488773224.db2.gz IDFPABSSIWEGMM-CQSZACIVSA-N 2 1 368.503 0.491 20 0 FCADMP C[NH+](C)CC(=O)N1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000158681669 488779637 /nfs/dbraw/zinc/77/96/37/488779637.db2.gz JKFSYTIISGRJKY-UHFFFAOYSA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000159072253 488782639 /nfs/dbraw/zinc/78/26/39/488782639.db2.gz PKYZXBIJRCNMFZ-UHFFFAOYSA-N 2 1 372.469 0.815 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000159072253 488782640 /nfs/dbraw/zinc/78/26/40/488782640.db2.gz PKYZXBIJRCNMFZ-UHFFFAOYSA-N 2 1 372.469 0.815 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000563152187 491222727 /nfs/dbraw/zinc/22/27/27/491222727.db2.gz WLIIRVXEUUHQNB-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000563152187 491222728 /nfs/dbraw/zinc/22/27/28/491222728.db2.gz WLIIRVXEUUHQNB-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP CS(=O)(=O)NCC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563153605 491222848 /nfs/dbraw/zinc/22/28/48/491222848.db2.gz ALGSJFLCTSCGSP-IRXDYDNUSA-N 2 1 355.504 0.179 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000171619809 488824525 /nfs/dbraw/zinc/82/45/25/488824525.db2.gz HPMBMIDEYMHWHI-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000171619809 488824527 /nfs/dbraw/zinc/82/45/27/488824527.db2.gz HPMBMIDEYMHWHI-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000172246188 488831401 /nfs/dbraw/zinc/83/14/01/488831401.db2.gz OPQHYRPIFYVLJT-UHFFFAOYSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173219975 488841710 /nfs/dbraw/zinc/84/17/10/488841710.db2.gz XRPMXEOFQRGVOY-HNNXBMFYSA-N 2 1 352.398 0.679 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969431 488852556 /nfs/dbraw/zinc/85/25/56/488852556.db2.gz LWWGJCWVLVBJBS-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969431 488852557 /nfs/dbraw/zinc/85/25/57/488852557.db2.gz LWWGJCWVLVBJBS-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969431 488852558 /nfs/dbraw/zinc/85/25/58/488852558.db2.gz LWWGJCWVLVBJBS-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969431 488852559 /nfs/dbraw/zinc/85/25/59/488852559.db2.gz LWWGJCWVLVBJBS-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000174969431 488852560 /nfs/dbraw/zinc/85/25/60/488852560.db2.gz LWWGJCWVLVBJBS-CQSZACIVSA-N 2 1 362.478 0.097 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175601426 488854616 /nfs/dbraw/zinc/85/46/16/488854616.db2.gz YEDYPYXZULJZHD-UHFFFAOYSA-N 2 1 365.522 0.857 20 0 FCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000176013661 488856882 /nfs/dbraw/zinc/85/68/82/488856882.db2.gz HTMXGOLJJSDLLT-FUHWJXTLSA-N 2 1 354.539 0.779 20 0 FCADMP C[C@](O)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000176024695 488856968 /nfs/dbraw/zinc/85/69/68/488856968.db2.gz XTWCKNDSTPVSBE-IBGZPJMESA-N 2 1 368.522 0.776 20 0 FCADMP CC(C)OCC[NH+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000179319678 488861109 /nfs/dbraw/zinc/86/11/09/488861109.db2.gz BLSHLDAGWCBLOW-UHFFFAOYSA-N 2 1 369.554 0.765 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075128 488862925 /nfs/dbraw/zinc/86/29/25/488862925.db2.gz WTNFTDZXOKFWGV-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075128 488862926 /nfs/dbraw/zinc/86/29/26/488862926.db2.gz WTNFTDZXOKFWGV-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075128 488862927 /nfs/dbraw/zinc/86/29/27/488862927.db2.gz WTNFTDZXOKFWGV-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075128 488862928 /nfs/dbraw/zinc/86/29/28/488862928.db2.gz WTNFTDZXOKFWGV-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181075128 488862929 /nfs/dbraw/zinc/86/29/29/488862929.db2.gz WTNFTDZXOKFWGV-JKSUJKDBSA-N 2 1 354.495 0.997 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000182104152 488863968 /nfs/dbraw/zinc/86/39/68/488863968.db2.gz NFYPFBYUQYPCGO-MRXNPFEDSA-N 2 1 368.522 0.545 20 0 FCADMP COC(=O)CC[N@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000182104152 488863969 /nfs/dbraw/zinc/86/39/69/488863969.db2.gz NFYPFBYUQYPCGO-MRXNPFEDSA-N 2 1 368.522 0.545 20 0 FCADMP [NH3+]CCc1nc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000279919244 488975639 /nfs/dbraw/zinc/97/56/39/488975639.db2.gz MZVNLFYJZHTBJK-UHFFFAOYSA-N 2 1 374.514 0.981 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000554809133 491226836 /nfs/dbraw/zinc/22/68/36/491226836.db2.gz CMNKWFDBNMTTLY-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000554809133 491226839 /nfs/dbraw/zinc/22/68/39/491226839.db2.gz CMNKWFDBNMTTLY-BFYDXBDKSA-N 2 1 350.507 0.679 20 0 FCADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389219 489000105 /nfs/dbraw/zinc/00/01/05/489000105.db2.gz UJCHWUDEZNBRRY-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389219 489000108 /nfs/dbraw/zinc/00/01/08/489000108.db2.gz UJCHWUDEZNBRRY-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C ZINC000329389219 489000110 /nfs/dbraw/zinc/00/01/10/489000110.db2.gz UJCHWUDEZNBRRY-KGLIPLIRSA-N 2 1 362.478 0.238 20 0 FCADMP C[N@@H+](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000329405307 489001426 /nfs/dbraw/zinc/00/14/26/489001426.db2.gz BUWFMKWFTHMZJP-OAHLLOKOSA-N 2 1 357.520 0.109 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000365003540 489028250 /nfs/dbraw/zinc/02/82/50/489028250.db2.gz ZMAMSWVJFVCPNH-GOSISDBHSA-N 2 1 369.554 0.766 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1C1CC1 ZINC000289036047 489037823 /nfs/dbraw/zinc/03/78/23/489037823.db2.gz WHMNWSKZZKNFLV-LSDHHAIUSA-N 2 1 362.474 0.911 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCOCC1 ZINC000365187588 489048086 /nfs/dbraw/zinc/04/80/86/489048086.db2.gz ZWMQXJDBGKLDFT-BBWFWOEESA-N 2 1 354.495 0.506 20 0 FCADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCOCC1 ZINC000365187588 489048089 /nfs/dbraw/zinc/04/80/89/489048089.db2.gz ZWMQXJDBGKLDFT-BBWFWOEESA-N 2 1 354.495 0.506 20 0 FCADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000289647746 489083588 /nfs/dbraw/zinc/08/35/88/489083588.db2.gz CFJBQGCXURYRJN-UHFFFAOYSA-N 2 1 361.490 0.774 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298785 489088980 /nfs/dbraw/zinc/08/89/80/489088980.db2.gz HPKVNYGUGLDDAY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(CCO)C[C@H](C)O)CC1 ZINC000289928622 489103264 /nfs/dbraw/zinc/10/32/64/489103264.db2.gz UUHWRYTXAMTLLU-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CCO)C[C@H](C)O)CC1 ZINC000289928622 489103266 /nfs/dbraw/zinc/10/32/66/489103266.db2.gz UUHWRYTXAMTLLU-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CCO)C[C@H](C)O)CC1 ZINC000289928622 489103267 /nfs/dbraw/zinc/10/32/67/489103267.db2.gz UUHWRYTXAMTLLU-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CCO)C[C@H](C)O)CC1 ZINC000289928622 489103268 /nfs/dbraw/zinc/10/32/68/489103268.db2.gz UUHWRYTXAMTLLU-SFHVURJKSA-N 2 1 363.502 0.704 20 0 FCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000563275012 491234991 /nfs/dbraw/zinc/23/49/91/491234991.db2.gz DSHCEGFZJUQUQH-UHFFFAOYSA-N 2 1 366.487 0.284 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000290288308 489127841 /nfs/dbraw/zinc/12/78/41/489127841.db2.gz BHFWFSDEWVWEBV-SJORKVTESA-N 2 1 373.501 0.967 20 0 FCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000290401954 489136828 /nfs/dbraw/zinc/13/68/28/489136828.db2.gz IRWJBWHFEUIGOG-RDJZCZTQSA-N 2 1 371.485 0.910 20 0 FCADMP O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000290401954 489136831 /nfs/dbraw/zinc/13/68/31/489136831.db2.gz IRWJBWHFEUIGOG-RDJZCZTQSA-N 2 1 371.485 0.910 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330948683 489160258 /nfs/dbraw/zinc/16/02/58/489160258.db2.gz IYURRZAVHCWDIR-UHFFFAOYSA-N 2 1 374.551 0.331 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366238650 489161886 /nfs/dbraw/zinc/16/18/86/489161886.db2.gz DZQSLLRJGOWHAT-DLBZAZTESA-N 2 1 356.511 0.897 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366238650 489161888 /nfs/dbraw/zinc/16/18/88/489161888.db2.gz DZQSLLRJGOWHAT-DLBZAZTESA-N 2 1 356.511 0.897 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331390845 489205387 /nfs/dbraw/zinc/20/53/87/489205387.db2.gz JJVNCKQRQXQUNR-IAGOWNOFSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000331404165 489206934 /nfs/dbraw/zinc/20/69/34/489206934.db2.gz PVIHYPOQNCYIMY-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000331404165 489206935 /nfs/dbraw/zinc/20/69/35/489206935.db2.gz PVIHYPOQNCYIMY-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000331404165 489206938 /nfs/dbraw/zinc/20/69/38/489206938.db2.gz PVIHYPOQNCYIMY-LTIDMASMSA-N 2 1 350.507 0.776 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000331447064 489212701 /nfs/dbraw/zinc/21/27/01/489212701.db2.gz CFFKYZGJSJIRIR-JJXSEGSLSA-N 2 1 350.507 0.727 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331460420 489214251 /nfs/dbraw/zinc/21/42/51/489214251.db2.gz YWTWRAIHPVUPTQ-IAGOWNOFSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000283121297 489217543 /nfs/dbraw/zinc/21/75/43/489217543.db2.gz MXSSGIRPZPULQD-IBGZPJMESA-N 2 1 360.502 0.814 20 0 FCADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332855811 489239440 /nfs/dbraw/zinc/23/94/40/489239440.db2.gz YOHHHMPABJBGOC-XIRDDKMYSA-N 2 1 354.495 0.072 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000332899657 489244149 /nfs/dbraw/zinc/24/41/49/489244149.db2.gz UCZUWHGWAJCVIJ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000332899657 489244154 /nfs/dbraw/zinc/24/41/54/489244154.db2.gz UCZUWHGWAJCVIJ-IXDOHACOSA-N 2 1 366.506 0.299 20 0 FCADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283407566 489255132 /nfs/dbraw/zinc/25/51/32/489255132.db2.gz KMUUGSUWEZGMFX-ROUUACIJSA-N 2 1 370.497 0.978 20 0 FCADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333989036 489265094 /nfs/dbraw/zinc/26/50/94/489265094.db2.gz IPPYRMYHVBTRDB-NJAFHUGGSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333989036 489265097 /nfs/dbraw/zinc/26/50/97/489265097.db2.gz IPPYRMYHVBTRDB-NJAFHUGGSA-N 2 1 368.522 0.462 20 0 FCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000369738424 489269048 /nfs/dbraw/zinc/26/90/48/489269048.db2.gz XVWYCBDPMJJMLO-CGTJXYLNSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738424 489269052 /nfs/dbraw/zinc/26/90/52/489269052.db2.gz XVWYCBDPMJJMLO-CGTJXYLNSA-N 2 1 366.506 0.744 20 0 FCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738424 489269055 /nfs/dbraw/zinc/26/90/55/489269055.db2.gz XVWYCBDPMJJMLO-CGTJXYLNSA-N 2 1 366.506 0.744 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000283587956 489278348 /nfs/dbraw/zinc/27/83/48/489278348.db2.gz VIMYRFNJCTZINE-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000283587956 489278349 /nfs/dbraw/zinc/27/83/49/489278349.db2.gz VIMYRFNJCTZINE-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000283587956 489278351 /nfs/dbraw/zinc/27/83/51/489278351.db2.gz VIMYRFNJCTZINE-MSOLQXFVSA-N 2 1 374.485 0.214 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1=O ZINC000369911347 489290334 /nfs/dbraw/zinc/29/03/34/489290334.db2.gz KVPJTMFWHOPPBM-PNKHAZJDSA-N 2 1 362.518 0.905 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000369912811 489290489 /nfs/dbraw/zinc/29/04/89/489290489.db2.gz KTHDTSFLQWSZMT-INIZCTEOSA-N 2 1 365.522 0.666 20 0 FCADMP CCN1CCCN(C(=O)C(=O)N2CCN([C@H](C)c3cccnc3)CC2)CC1 ZINC000298173828 489299761 /nfs/dbraw/zinc/29/97/61/489299761.db2.gz UJAUXHHFZSUWST-QGZVFWFLSA-N 2 1 373.501 0.841 20 0 FCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263611 489308375 /nfs/dbraw/zinc/30/83/75/489308375.db2.gz KXYNRCMSSFWXFY-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263611 489308378 /nfs/dbraw/zinc/30/83/78/489308378.db2.gz KXYNRCMSSFWXFY-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000284263611 489308382 /nfs/dbraw/zinc/30/83/82/489308382.db2.gz KXYNRCMSSFWXFY-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000370125697 489318090 /nfs/dbraw/zinc/31/80/90/489318090.db2.gz JTHNIIPMKQXKLT-RCCFBDPRSA-N 2 1 367.538 0.565 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1)C1CC1 ZINC000285985406 489342310 /nfs/dbraw/zinc/34/23/10/489342310.db2.gz NDKRKEPBFNAMIO-UHFFFAOYSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000285985406 489342314 /nfs/dbraw/zinc/34/23/14/489342314.db2.gz NDKRKEPBFNAMIO-UHFFFAOYSA-N 2 1 364.465 0.974 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000285985406 489342317 /nfs/dbraw/zinc/34/23/17/489342317.db2.gz NDKRKEPBFNAMIO-UHFFFAOYSA-N 2 1 364.465 0.974 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236340 489372429 /nfs/dbraw/zinc/37/24/29/489372429.db2.gz UNWSJFBDSDQLLH-RTBURBONSA-N 2 1 360.502 0.860 20 0 FCADMP O=C1OC[C@H]2C[NH+](CCCCCC[N@H+]3CCN4C(=O)OC[C@H]4C3)CCN12 ZINC000370546232 489373219 /nfs/dbraw/zinc/37/32/19/489373219.db2.gz KVEPULWBQVHEBL-HZPDHXFCSA-N 2 1 366.462 0.820 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688374 489392401 /nfs/dbraw/zinc/39/24/01/489392401.db2.gz MDZGDYLLPVFRBI-FXAWDEMLSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH+]4CCN3CCC4)c2)CCO1 ZINC000362688374 489392402 /nfs/dbraw/zinc/39/24/02/489392402.db2.gz MDZGDYLLPVFRBI-FXAWDEMLSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CCO1 ZINC000362688374 489392404 /nfs/dbraw/zinc/39/24/04/489392404.db2.gz MDZGDYLLPVFRBI-FXAWDEMLSA-N 2 1 372.513 0.913 20 0 FCADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CCO1 ZINC000362688374 489392405 /nfs/dbraw/zinc/39/24/05/489392405.db2.gz MDZGDYLLPVFRBI-FXAWDEMLSA-N 2 1 372.513 0.913 20 0 FCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000362930412 489406008 /nfs/dbraw/zinc/40/60/08/489406008.db2.gz DOUYMYMMSJAJTJ-SJORKVTESA-N 2 1 360.458 0.666 20 0 FCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000563536469 491253396 /nfs/dbraw/zinc/25/33/96/491253396.db2.gz LRONTLKBFXZXFF-NEPJUHHUSA-N 2 1 362.478 0.420 20 0 FCADMP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000563544787 491253840 /nfs/dbraw/zinc/25/38/40/491253840.db2.gz UFVVIHPTCJXXIS-KSZLIROESA-N 2 1 351.539 0.946 20 0 FCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286663199 489415052 /nfs/dbraw/zinc/41/50/52/489415052.db2.gz ANDDLCQOPRKRGL-CQSZACIVSA-N 2 1 364.494 0.483 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286663199 489415055 /nfs/dbraw/zinc/41/50/55/489415055.db2.gz ANDDLCQOPRKRGL-CQSZACIVSA-N 2 1 364.494 0.483 20 0 FCADMP C[N@@H+](C[C@H](O)CNCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254056 /nfs/dbraw/zinc/25/40/56/491254056.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254058 /nfs/dbraw/zinc/25/40/58/491254058.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+](C[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254060 /nfs/dbraw/zinc/25/40/60/491254060.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 2 1 374.529 0.929 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000563545718 491254462 /nfs/dbraw/zinc/25/44/62/491254462.db2.gz WNMAAPAPISTSMX-KRWDZBQOSA-N 2 1 373.501 0.873 20 0 FCADMP CCOc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000563617703 491258646 /nfs/dbraw/zinc/25/86/46/491258646.db2.gz ITIUECUXVVSYFD-INIZCTEOSA-N 2 1 365.474 0.579 20 0 FCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC(=O)N1 ZINC000363320891 489451621 /nfs/dbraw/zinc/45/16/21/489451621.db2.gz JVCITJVZOGIZHE-QGZVFWFLSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)n1C ZINC000287008472 489451908 /nfs/dbraw/zinc/45/19/08/489451908.db2.gz QOGCVJBAMHLHMK-UHFFFAOYSA-N 2 1 364.494 0.341 20 0 FCADMP COC(=O)CCNC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363359760 489457146 /nfs/dbraw/zinc/45/71/46/489457146.db2.gz YATMFBAELHBWBC-IYBDPMFKSA-N 2 1 369.506 0.877 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371225173 489469050 /nfs/dbraw/zinc/46/90/50/489469050.db2.gz GVOTXSZTIRRPPK-QZTJIDSGSA-N 2 1 369.554 0.622 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000371346203 489479178 /nfs/dbraw/zinc/47/91/78/489479178.db2.gz VTJYFGYAAKPMMI-HNNXBMFYSA-N 2 1 365.522 0.854 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1CCOC ZINC000371354559 489479988 /nfs/dbraw/zinc/47/99/88/489479988.db2.gz USLWBLZCUAPUIR-FGTMMUONSA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1CCOC ZINC000371354559 489479989 /nfs/dbraw/zinc/47/99/89/489479989.db2.gz USLWBLZCUAPUIR-FGTMMUONSA-N 2 1 368.522 0.992 20 0 FCADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1CCOC ZINC000371354559 489479990 /nfs/dbraw/zinc/47/99/90/489479990.db2.gz USLWBLZCUAPUIR-FGTMMUONSA-N 2 1 368.522 0.992 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423105174 489493747 /nfs/dbraw/zinc/49/37/47/489493747.db2.gz CCCQZMSVABVADC-CQSZACIVSA-N 2 1 350.488 0.255 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563596115 491257013 /nfs/dbraw/zinc/25/70/13/491257013.db2.gz IOWIEIYWHRAMES-GOSISDBHSA-N 2 1 373.501 0.582 20 0 FCADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000423115965 489494192 /nfs/dbraw/zinc/49/41/92/489494192.db2.gz ZFVCXIZHDWBKEP-YJNKXOJESA-N 2 1 351.413 0.996 20 0 FCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423114688 489494219 /nfs/dbraw/zinc/49/42/19/489494219.db2.gz MAUVTZCSDLTVHI-GOSISDBHSA-N 2 1 364.515 0.632 20 0 FCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423118049 489494774 /nfs/dbraw/zinc/49/47/74/489494774.db2.gz YOSFIXRSXSXEJJ-UHFFFAOYSA-N 2 1 366.531 0.878 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000423204117 489501846 /nfs/dbraw/zinc/50/18/46/489501846.db2.gz NQDOCMDKTYNLLK-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423233598 489505929 /nfs/dbraw/zinc/50/59/29/489505929.db2.gz DUSUSUHAGNLFGX-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000555616290 491260024 /nfs/dbraw/zinc/26/00/24/491260024.db2.gz RFGFTPQKJASNSU-IRXDYDNUSA-N 2 1 368.522 0.309 20 0 FCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000555616241 491260108 /nfs/dbraw/zinc/26/01/08/491260108.db2.gz POVCVPYIENMCRZ-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000555616241 491260109 /nfs/dbraw/zinc/26/01/09/491260109.db2.gz POVCVPYIENMCRZ-HZPDHXFCSA-N 2 1 354.495 0.156 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000451673381 489516597 /nfs/dbraw/zinc/51/65/97/489516597.db2.gz VJDYPKIAKRUKGI-MRXNPFEDSA-N 2 1 355.504 0.873 20 0 FCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000451673381 489516598 /nfs/dbraw/zinc/51/65/98/489516598.db2.gz VJDYPKIAKRUKGI-MRXNPFEDSA-N 2 1 355.504 0.873 20 0 FCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415389198 489516831 /nfs/dbraw/zinc/51/68/31/489516831.db2.gz ZGQSBTNVMOLLBJ-KRWDZBQOSA-N 2 1 360.458 0.368 20 0 FCADMP CNc1nnc(CC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000371895035 489522956 /nfs/dbraw/zinc/52/29/56/489522956.db2.gz WHYLDIIBWHFCTL-CYBMUJFWSA-N 2 1 352.508 0.749 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563640430 491260732 /nfs/dbraw/zinc/26/07/32/491260732.db2.gz RMWXISFHKORIBS-AEFFLSMTSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371911510 489525378 /nfs/dbraw/zinc/52/53/78/489525378.db2.gz MTTKHYJMGZNPPL-KZNAEPCWSA-N 2 1 367.538 0.375 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000415551158 489528964 /nfs/dbraw/zinc/52/89/64/489528964.db2.gz DBENREKXOBFQEK-HOTGVXAUSA-N 2 1 374.485 0.709 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000425868852 489536074 /nfs/dbraw/zinc/53/60/74/489536074.db2.gz JAARWWWFPMUXAP-INIZCTEOSA-N 2 1 368.522 0.546 20 0 FCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425878030 489538377 /nfs/dbraw/zinc/53/83/77/489538377.db2.gz XYOCWUMMGYRNFN-HNNXBMFYSA-N 2 1 356.511 0.402 20 0 FCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000555639327 491261450 /nfs/dbraw/zinc/26/14/50/491261450.db2.gz XOGQPKSRUKNUKP-BRWVUGGUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115696 489546936 /nfs/dbraw/zinc/54/69/36/489546936.db2.gz IPKHZQHPDITWDR-SJLPKXTDSA-N 2 1 352.523 0.772 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000415795929 489553725 /nfs/dbraw/zinc/55/37/25/489553725.db2.gz YUFKXXLJWXFUDB-KTAKPFMOSA-N 2 1 360.458 0.966 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415950125 489565265 /nfs/dbraw/zinc/56/52/65/489565265.db2.gz GXCLAGUEVBXTAS-UHFFFAOYSA-N 2 1 363.466 0.072 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007257 489567338 /nfs/dbraw/zinc/56/73/38/489567338.db2.gz MLCFDHKYNLWMLL-RYUDHWBXSA-N 2 1 365.400 0.214 20 0 FCADMP Cc1cc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)nc(C(C)C)n1 ZINC000372313057 489569286 /nfs/dbraw/zinc/56/92/86/489569286.db2.gz HGTJJIVKVIOBNT-KRWDZBQOSA-N 2 1 372.517 0.947 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660925 491263413 /nfs/dbraw/zinc/26/34/13/491263413.db2.gz NDXZCHZYOIHOJN-GDBMZVCRSA-N 2 1 350.507 0.966 20 0 FCADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787351 491264382 /nfs/dbraw/zinc/26/43/82/491264382.db2.gz FTMYMJUIMQSKFY-IAGOWNOFSA-N 2 1 358.490 0.589 20 0 FCADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000570787351 491264383 /nfs/dbraw/zinc/26/43/83/491264383.db2.gz FTMYMJUIMQSKFY-IAGOWNOFSA-N 2 1 358.490 0.589 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000372399863 489580628 /nfs/dbraw/zinc/58/06/28/489580628.db2.gz WVIMTUCMNFPETM-UHOSZYNNSA-N 2 1 360.502 0.845 20 0 FCADMP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000372399055 489580759 /nfs/dbraw/zinc/58/07/59/489580759.db2.gz ARESXVPGHZAVGT-FUHWJXTLSA-N 2 1 352.523 0.535 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128036 489595873 /nfs/dbraw/zinc/59/58/73/489595873.db2.gz JFEYXALUJKYFTF-JKSUJKDBSA-N 2 1 374.489 0.831 20 0 FCADMP C[NH+](C)CCn1nccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000455661186 489598099 /nfs/dbraw/zinc/59/80/99/489598099.db2.gz TVLZQHGIIIIEPJ-HNNXBMFYSA-N 2 1 352.483 0.803 20 0 FCADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000427228595 489598378 /nfs/dbraw/zinc/59/83/78/489598378.db2.gz XPGXLJMFFZSPQN-KGLIPLIRSA-N 2 1 362.478 0.639 20 0 FCADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427228597 489598718 /nfs/dbraw/zinc/59/87/18/489598718.db2.gz XPGXLJMFFZSPQN-ZIAGYGMSSA-N 2 1 362.478 0.639 20 0 FCADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000427542697 489613762 /nfs/dbraw/zinc/61/37/62/489613762.db2.gz ZKEZPSYRRVJMPY-ZBFHGGJFSA-N 2 1 374.489 0.783 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372649734 489615479 /nfs/dbraw/zinc/61/54/79/489615479.db2.gz OMCUKDDZHBOMBT-AABGKKOBSA-N 2 1 373.497 0.945 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691965 489622776 /nfs/dbraw/zinc/62/27/76/489622776.db2.gz DQQCINIHYRHVFG-UYTYNIKBSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691965 489622779 /nfs/dbraw/zinc/62/27/79/489622779.db2.gz DQQCINIHYRHVFG-UYTYNIKBSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C[C@@H](C)C1 ZINC000456691965 489622781 /nfs/dbraw/zinc/62/27/81/489622781.db2.gz DQQCINIHYRHVFG-UYTYNIKBSA-N 2 1 364.534 0.689 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000372676037 489622782 /nfs/dbraw/zinc/62/27/82/489622782.db2.gz XNGGGVZJIFCTRZ-NUJGCVRESA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372676037 489622784 /nfs/dbraw/zinc/62/27/84/489622784.db2.gz XNGGGVZJIFCTRZ-NUJGCVRESA-N 2 1 365.522 0.175 20 0 FCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372676037 489622786 /nfs/dbraw/zinc/62/27/86/489622786.db2.gz XNGGGVZJIFCTRZ-NUJGCVRESA-N 2 1 365.522 0.175 20 0 FCADMP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000416876025 489632278 /nfs/dbraw/zinc/63/22/78/489632278.db2.gz RYUXAKSTFNBSLE-INIZCTEOSA-N 2 1 351.495 0.468 20 0 FCADMP COC[C@]1(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000416957887 489636265 /nfs/dbraw/zinc/63/62/65/489636265.db2.gz OKSBEKJBZSRSDP-SJLPKXTDSA-N 2 1 355.527 0.326 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417003385 489637856 /nfs/dbraw/zinc/63/78/56/489637856.db2.gz HIGYURDAINQRSY-GOSISDBHSA-N 2 1 373.501 0.541 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000417056466 489640120 /nfs/dbraw/zinc/64/01/20/489640120.db2.gz ZJHZQSVEXYGNGH-MRXNPFEDSA-N 2 1 353.511 0.761 20 0 FCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc1 ZINC000417059210 489640151 /nfs/dbraw/zinc/64/01/51/489640151.db2.gz HTNFSJYWRFTVLC-MRXNPFEDSA-N 2 1 374.489 0.798 20 0 FCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417066292 489640409 /nfs/dbraw/zinc/64/04/09/489640409.db2.gz CGHORJDFUMAFBZ-RDBSUJKOSA-N 2 1 363.428 0.749 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853741 489644571 /nfs/dbraw/zinc/64/45/71/489644571.db2.gz AXYAWXMZJKHWLR-ROUUACIJSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)c1 ZINC000372853741 489644573 /nfs/dbraw/zinc/64/45/73/489644573.db2.gz AXYAWXMZJKHWLR-ROUUACIJSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000372853741 489644576 /nfs/dbraw/zinc/64/45/76/489644576.db2.gz AXYAWXMZJKHWLR-ROUUACIJSA-N 2 1 371.485 0.465 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000372853741 489644579 /nfs/dbraw/zinc/64/45/79/489644579.db2.gz AXYAWXMZJKHWLR-ROUUACIJSA-N 2 1 371.485 0.465 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000417234165 489645496 /nfs/dbraw/zinc/64/54/96/489645496.db2.gz UNJUDZOVTHDCGY-KRWDZBQOSA-N 2 1 361.490 0.615 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000457515862 489648097 /nfs/dbraw/zinc/64/80/97/489648097.db2.gz NLLUCSDJRJNJFI-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000457515862 489648100 /nfs/dbraw/zinc/64/81/00/489648100.db2.gz NLLUCSDJRJNJFI-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000457515862 489648103 /nfs/dbraw/zinc/64/81/03/489648103.db2.gz NLLUCSDJRJNJFI-SJORKVTESA-N 2 1 356.511 0.489 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417419660 489651714 /nfs/dbraw/zinc/65/17/14/489651714.db2.gz DGKXPMWGAYTAPA-JKSUJKDBSA-N 2 1 353.511 0.618 20 0 FCADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000417430842 489652517 /nfs/dbraw/zinc/65/25/17/489652517.db2.gz QDNMNCCYFPATPD-PMPSAXMXSA-N 2 1 353.511 0.698 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417431057 489652525 /nfs/dbraw/zinc/65/25/25/489652525.db2.gz QKHCNZLOJLURAO-HOTGVXAUSA-N 2 1 355.527 0.944 20 0 FCADMP CCCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000417427973 489652844 /nfs/dbraw/zinc/65/28/44/489652844.db2.gz KBOHSVGPCLBLBE-HOTGVXAUSA-N 2 1 353.511 0.713 20 0 FCADMP C[NH2+]CCCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000417534633 489657466 /nfs/dbraw/zinc/65/74/66/489657466.db2.gz AGUZZWQUUBVFCB-QGZVFWFLSA-N 2 1 361.490 0.793 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)C1 ZINC000417543686 489657786 /nfs/dbraw/zinc/65/77/86/489657786.db2.gz GHUOZRRLQSKRBI-ROUUACIJSA-N 2 1 373.501 0.935 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000417667847 489660836 /nfs/dbraw/zinc/66/08/36/489660836.db2.gz HQMGUJOLRBJSRC-ROUUACIJSA-N 2 1 369.554 0.718 20 0 FCADMP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000417669988 489661279 /nfs/dbraw/zinc/66/12/79/489661279.db2.gz AQCLASQUJZEHNT-HZPDHXFCSA-N 2 1 367.538 0.959 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417896891 489670060 /nfs/dbraw/zinc/67/00/60/489670060.db2.gz WFZULCDLYAZMSJ-IAGOWNOFSA-N 2 1 367.538 0.993 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000373123619 489670444 /nfs/dbraw/zinc/67/04/44/489670444.db2.gz NYTSJQWSRRXPQY-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000373123619 489670446 /nfs/dbraw/zinc/67/04/46/489670446.db2.gz NYTSJQWSRRXPQY-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP CC[N@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C ZINC000458207762 489674106 /nfs/dbraw/zinc/67/41/06/489674106.db2.gz WPPGUELIEHKLRT-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP CC[N@@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C ZINC000458207762 489674109 /nfs/dbraw/zinc/67/41/09/489674109.db2.gz WPPGUELIEHKLRT-UHFFFAOYSA-N 2 1 356.511 0.897 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458236020 489674387 /nfs/dbraw/zinc/67/43/87/489674387.db2.gz KBRXAYDDDMYZBR-KRWDZBQOSA-N 2 1 356.511 0.633 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCN2CCOC[C@@H]2C)CC1 ZINC000458287780 489675993 /nfs/dbraw/zinc/67/59/93/489675993.db2.gz BVOQRUNYFMVFNK-INIZCTEOSA-N 2 1 355.527 0.422 20 0 FCADMP C[NH+](C)CCOc1cnccc1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418188624 489683725 /nfs/dbraw/zinc/68/37/25/489683725.db2.gz GOVSLMVCWXDMII-QGZVFWFLSA-N 2 1 353.442 0.865 20 0 FCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000555754455 491271080 /nfs/dbraw/zinc/27/10/80/491271080.db2.gz ZXLWEIWSPPWOMX-UHFFFAOYSA-N 2 1 368.522 0.282 20 0 FCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448330 489684441 /nfs/dbraw/zinc/68/44/41/489684441.db2.gz XTYFKDQGVSEHDB-APWZRJJASA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448330 489684443 /nfs/dbraw/zinc/68/44/43/489684443.db2.gz XTYFKDQGVSEHDB-APWZRJJASA-N 2 1 365.522 0.701 20 0 FCADMP C[NH+]1CCC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448330 489684444 /nfs/dbraw/zinc/68/44/44/489684444.db2.gz XTYFKDQGVSEHDB-APWZRJJASA-N 2 1 365.522 0.701 20 0 FCADMP COCC[NH+]1[C@@H]2CC[C@H]1CC(N(C)C(=O)N[C@H]1CC[N@H+](CCOC)C1)C2 ZINC000458445611 489684573 /nfs/dbraw/zinc/68/45/73/489684573.db2.gz VEEKVVLIIGZHGV-XNHLSEOASA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000458445611 489684576 /nfs/dbraw/zinc/68/45/76/489684576.db2.gz VEEKVVLIIGZHGV-XNHLSEOASA-N 2 1 368.522 0.990 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000458445611 489684578 /nfs/dbraw/zinc/68/45/78/489684578.db2.gz VEEKVVLIIGZHGV-XNHLSEOASA-N 2 1 368.522 0.990 20 0 FCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418212064 489684742 /nfs/dbraw/zinc/68/47/42/489684742.db2.gz ZJRLCNDDAVFJMR-DLBZAZTESA-N 2 1 367.538 0.960 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000418288486 489688748 /nfs/dbraw/zinc/68/87/48/489688748.db2.gz IGWXEIREEAJYSX-CVEARBPZSA-N 2 1 353.511 0.747 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000418361066 489693654 /nfs/dbraw/zinc/69/36/54/489693654.db2.gz ACJQAHIJUPTIRE-RDBSUJKOSA-N 2 1 367.473 0.614 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155230 489698019 /nfs/dbraw/zinc/69/80/19/489698019.db2.gz ZJSUZQPHOPUOEF-QAPCUYQASA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155230 489698024 /nfs/dbraw/zinc/69/80/24/489698024.db2.gz ZJSUZQPHOPUOEF-QAPCUYQASA-N 2 1 351.495 0.311 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000489155230 489698029 /nfs/dbraw/zinc/69/80/29/489698029.db2.gz ZJSUZQPHOPUOEF-QAPCUYQASA-N 2 1 351.495 0.311 20 0 FCADMP COC[C@@]1(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000418628560 489712751 /nfs/dbraw/zinc/71/27/51/489712751.db2.gz AZEXNAHVYQGTQJ-SFHVURJKSA-N 2 1 356.511 0.755 20 0 FCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418637341 489714170 /nfs/dbraw/zinc/71/41/70/489714170.db2.gz NIHTZNIBWIZMOW-SFHVURJKSA-N 2 1 355.527 0.470 20 0 FCADMP COCC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC[NH2+]CC1 ZINC000418637661 489714468 /nfs/dbraw/zinc/71/44/68/489714468.db2.gz KAUMSNHOKJSCQZ-OAHLLOKOSA-N 2 1 356.511 0.489 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(F)F ZINC000418746653 489721010 /nfs/dbraw/zinc/72/10/10/489721010.db2.gz XWXJTBMTZSIIHK-KKUMJFAQSA-N 2 1 356.417 0.904 20 0 FCADMP [NH3+]CC[C@H](NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(F)F ZINC000418746651 489721160 /nfs/dbraw/zinc/72/11/60/489721160.db2.gz XWXJTBMTZSIIHK-ILXRZTDVSA-N 2 1 356.417 0.904 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875259 491273982 /nfs/dbraw/zinc/27/39/82/491273982.db2.gz DWZOAWTWKKEHBD-UONOGXRCSA-N 2 1 365.444 0.806 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418773810 489724915 /nfs/dbraw/zinc/72/49/15/489724915.db2.gz UTYOKSNXOKIWJP-QGZVFWFLSA-N 2 1 356.511 0.755 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774520 489726234 /nfs/dbraw/zinc/72/62/34/489726234.db2.gz YWRMCMPOHMNNGB-MOPGFXCFSA-N 2 1 374.533 0.981 20 0 FCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418812719 489734375 /nfs/dbraw/zinc/73/43/75/489734375.db2.gz IWBUARMBKPWCLP-WMLDXEAASA-N 2 1 361.490 0.934 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485757 489734788 /nfs/dbraw/zinc/73/47/88/489734788.db2.gz UADYTACUYIVBKU-FGTMMUONSA-N 2 1 354.539 0.874 20 0 FCADMP CC[NH+]1C[C@@H](C)N(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485757 489734790 /nfs/dbraw/zinc/73/47/90/489734790.db2.gz UADYTACUYIVBKU-FGTMMUONSA-N 2 1 354.539 0.874 20 0 FCADMP CC[NH+]1C[C@@H](C)N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000459485757 489734794 /nfs/dbraw/zinc/73/47/94/489734794.db2.gz UADYTACUYIVBKU-FGTMMUONSA-N 2 1 354.539 0.874 20 0 FCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822517 489739339 /nfs/dbraw/zinc/73/93/39/489739339.db2.gz ASHASJGPHFULCL-HNNXBMFYSA-N 2 1 354.495 0.237 20 0 FCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000418826366 489741607 /nfs/dbraw/zinc/74/16/07/489741607.db2.gz CNPRWFKHOBNTBE-MRXNPFEDSA-N 2 1 362.474 0.991 20 0 FCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418832220 489744537 /nfs/dbraw/zinc/74/45/37/489744537.db2.gz LZBSTVRIJJOWOJ-CVEARBPZSA-N 2 1 366.506 0.381 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000418834284 489745513 /nfs/dbraw/zinc/74/55/13/489745513.db2.gz OCMRAECWJKSCSO-OAHLLOKOSA-N 2 1 350.463 0.847 20 0 FCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418833997 489745738 /nfs/dbraw/zinc/74/57/38/489745738.db2.gz LNKHYUOEXWQNSX-OWCLPIDISA-N 2 1 360.458 0.601 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000430553445 489745869 /nfs/dbraw/zinc/74/58/69/489745869.db2.gz OUVWKLVCCZSCDK-IBGZPJMESA-N 2 1 366.550 0.923 20 0 FCADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000430571415 489747213 /nfs/dbraw/zinc/74/72/13/489747213.db2.gz CUCQXAMPXTWRCJ-IUODEOHRSA-N 2 1 354.476 0.722 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000430571415 489747216 /nfs/dbraw/zinc/74/72/16/489747216.db2.gz CUCQXAMPXTWRCJ-IUODEOHRSA-N 2 1 354.476 0.722 20 0 FCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430602121 489750342 /nfs/dbraw/zinc/75/03/42/489750342.db2.gz GGZLCSQYRLRCDX-CYBMUJFWSA-N 2 1 354.401 0.368 20 0 FCADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1S(=O)(=O)N(C)C ZINC000430600780 489750610 /nfs/dbraw/zinc/75/06/10/489750610.db2.gz IHTQBHOPYACRMY-UHFFFAOYSA-N 2 1 368.503 0.855 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H](C)N1 ZINC000418842362 489751950 /nfs/dbraw/zinc/75/19/50/489751950.db2.gz ZVWUJWCTHZTNFR-JFIYKMOQSA-N 2 1 374.485 0.212 20 0 FCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000430615284 489753715 /nfs/dbraw/zinc/75/37/15/489753715.db2.gz AZPKDGKJESDVEZ-IBGZPJMESA-N 2 1 372.513 0.879 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000418848317 489754026 /nfs/dbraw/zinc/75/40/26/489754026.db2.gz LCHRCWIROMRNHS-GDBMZVCRSA-N 2 1 362.474 0.672 20 0 FCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(F)cc1 ZINC000430616772 489754814 /nfs/dbraw/zinc/75/48/14/489754814.db2.gz HPGATUZOUWAQLH-MRXNPFEDSA-N 2 1 362.449 0.586 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000418848320 489754768 /nfs/dbraw/zinc/75/47/68/489754768.db2.gz LCHRCWIROMRNHS-ZBFHGGJFSA-N 2 1 362.474 0.672 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000418849771 489755156 /nfs/dbraw/zinc/75/51/56/489755156.db2.gz NGKWQVPILHSOMV-FMKPAKJESA-N 2 1 362.474 0.610 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000418850796 489756571 /nfs/dbraw/zinc/75/65/71/489756571.db2.gz OOIKWKHZIIVJJW-IMJJTQAJSA-N 2 1 362.474 0.658 20 0 FCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430627540 489757229 /nfs/dbraw/zinc/75/72/29/489757229.db2.gz MFUAPALFVNVKLH-HNNXBMFYSA-N 2 1 372.469 0.850 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000418855428 489759763 /nfs/dbraw/zinc/75/97/63/489759763.db2.gz DHCQIIKSGONBEP-HZPDHXFCSA-N 2 1 368.522 0.579 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649017 489761561 /nfs/dbraw/zinc/76/15/61/489761561.db2.gz RSFCUIPRRBINHA-WFASDCNBSA-N 2 1 354.476 0.864 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430649017 489761566 /nfs/dbraw/zinc/76/15/66/489761566.db2.gz RSFCUIPRRBINHA-WFASDCNBSA-N 2 1 354.476 0.864 20 0 FCADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430651255 489762102 /nfs/dbraw/zinc/76/21/02/489762102.db2.gz LHHKBJYTMMGTRD-KRWDZBQOSA-N 2 1 374.485 0.455 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430655110 489763359 /nfs/dbraw/zinc/76/33/59/489763359.db2.gz QZDHZDVJXBEHKK-ZIAGYGMSSA-N 2 1 350.467 0.578 20 0 FCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430655110 489763365 /nfs/dbraw/zinc/76/33/65/489763365.db2.gz QZDHZDVJXBEHKK-ZIAGYGMSSA-N 2 1 350.467 0.578 20 0 FCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418867948 489766184 /nfs/dbraw/zinc/76/61/84/489766184.db2.gz VHWJTGKJOCLCOA-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C(=O)c1ccc(NC(=O)COC2C[NH2+]C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000430788539 489770446 /nfs/dbraw/zinc/77/04/46/489770446.db2.gz CIGJUKZVGYLYNG-INIZCTEOSA-N 2 1 360.458 0.780 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418878999 489770733 /nfs/dbraw/zinc/77/07/33/489770733.db2.gz MVLMNFUEPWSAGQ-GOEBONIOSA-N 2 1 354.495 0.237 20 0 FCADMP COCC[C@@]1(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC[NH2+]C1 ZINC000430795536 489771479 /nfs/dbraw/zinc/77/14/79/489771479.db2.gz GYYSLWZXZDWJMV-SFHVURJKSA-N 2 1 362.478 0.207 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000418879707 489772066 /nfs/dbraw/zinc/77/20/66/489772066.db2.gz NXFLMHGWVBQNEG-YYIAUSFCSA-N 2 1 366.506 0.189 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000459864077 489772450 /nfs/dbraw/zinc/77/24/50/489772450.db2.gz JVUFWOPFEMXVAE-SFHVURJKSA-N 2 1 364.534 0.977 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000418879706 489772487 /nfs/dbraw/zinc/77/24/87/489772487.db2.gz NXFLMHGWVBQNEG-TWMKSMIVSA-N 2 1 366.506 0.189 20 0 FCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418879944 489772749 /nfs/dbraw/zinc/77/27/49/489772749.db2.gz OFWMGQWICXTCLM-CVEARBPZSA-N 2 1 356.511 0.435 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430874899 489774214 /nfs/dbraw/zinc/77/42/14/489774214.db2.gz JACOWGALOKZFIU-YVSFHVDLSA-N 2 1 350.507 0.966 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430878766 489774773 /nfs/dbraw/zinc/77/47/73/489774773.db2.gz PRCARCHYQWGSES-NPYXIHBLSA-N 2 1 350.507 0.966 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000490640955 489778314 /nfs/dbraw/zinc/77/83/14/489778314.db2.gz OBMPFDKYWTUUSW-CVEARBPZSA-N 2 1 356.511 0.584 20 0 FCADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459885609 489781081 /nfs/dbraw/zinc/78/10/81/489781081.db2.gz MUXRNMLQCRITCE-LJQANCHMSA-N 2 1 372.513 0.926 20 0 FCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000459896051 489783773 /nfs/dbraw/zinc/78/37/73/489783773.db2.gz DVIPJZFDQBMHJK-LJQANCHMSA-N 2 1 352.523 0.977 20 0 FCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000431011971 489785904 /nfs/dbraw/zinc/78/59/04/489785904.db2.gz FPMWCAXPPGDKHI-SFHVURJKSA-N 2 1 374.485 0.710 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000570991091 491278750 /nfs/dbraw/zinc/27/87/50/491278750.db2.gz TXQDWFYYGDVKCC-SJORKVTESA-N 2 1 350.507 0.779 20 0 FCADMP C[NH2+]CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000418916668 489790070 /nfs/dbraw/zinc/79/00/70/489790070.db2.gz XGRCXOACJTXUQR-DOMZBBRYSA-N 2 1 370.856 0.924 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000418928701 489794288 /nfs/dbraw/zinc/79/42/88/489794288.db2.gz VICNXHDWNJFFAA-HZMVEIRTSA-N 2 1 366.506 0.045 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000459922084 489795091 /nfs/dbraw/zinc/79/50/91/489795091.db2.gz PWOYCLNENCDNDX-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000459922084 489795092 /nfs/dbraw/zinc/79/50/92/489795092.db2.gz PWOYCLNENCDNDX-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000459922084 489795095 /nfs/dbraw/zinc/79/50/95/489795095.db2.gz PWOYCLNENCDNDX-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000459922697 489795346 /nfs/dbraw/zinc/79/53/46/489795346.db2.gz RHABKPQOQLHVRR-QGZVFWFLSA-N 2 1 350.507 0.731 20 0 FCADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3COC[C@H]3OC)CC2)CC1 ZINC000563954763 491279387 /nfs/dbraw/zinc/27/93/87/491279387.db2.gz QGBNDCWABVOOGS-IAGOWNOFSA-N 2 1 354.495 0.602 20 0 FCADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H]3COC[C@H]3OC)CC2)CC1 ZINC000563954763 491279389 /nfs/dbraw/zinc/27/93/89/491279389.db2.gz QGBNDCWABVOOGS-IAGOWNOFSA-N 2 1 354.495 0.602 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000431280880 489798941 /nfs/dbraw/zinc/79/89/41/489798941.db2.gz CQMGUTGRJTYOIE-HZPDHXFCSA-N 2 1 365.522 0.903 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000555888471 491279443 /nfs/dbraw/zinc/27/94/43/491279443.db2.gz SFNSRDJWIPPIBX-OAHLLOKOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[N@@H+](C)C1CC1 ZINC000431283350 489799055 /nfs/dbraw/zinc/79/90/55/489799055.db2.gz PKYZJFDEAVBLLC-OAHLLOKOSA-N 2 1 353.511 0.761 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000459981099 489808453 /nfs/dbraw/zinc/80/84/53/489808453.db2.gz AOZITHMHLXUFOE-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459981099 489808457 /nfs/dbraw/zinc/80/84/57/489808457.db2.gz AOZITHMHLXUFOE-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459981099 489808461 /nfs/dbraw/zinc/80/84/61/489808461.db2.gz AOZITHMHLXUFOE-GVDBMIGSSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H]1C ZINC000459985447 489809268 /nfs/dbraw/zinc/80/92/68/489809268.db2.gz DMIWFMARXGTCKO-JKSUJKDBSA-N 2 1 352.523 0.975 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459997726 489812669 /nfs/dbraw/zinc/81/26/69/489812669.db2.gz TYBAVOJXWTXQLF-IRXDYDNUSA-N 2 1 350.507 0.873 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000419014149 489817721 /nfs/dbraw/zinc/81/77/21/489817721.db2.gz CGSGEKGVGYOISJ-QGZVFWFLSA-N 2 1 362.474 0.331 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419024839 489822271 /nfs/dbraw/zinc/82/22/71/489822271.db2.gz LCRZSXVYFZXHDX-GASCZTMLSA-N 2 1 356.511 0.211 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419024766 489822412 /nfs/dbraw/zinc/82/24/12/489822412.db2.gz LANVJDDPBJQJSA-BPKGMFCQSA-N 2 1 350.507 0.727 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419023947 489822517 /nfs/dbraw/zinc/82/25/17/489822517.db2.gz KMIDDWJGBBIBSF-OXODIDRGSA-N 2 1 364.534 0.973 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000460028792 489823980 /nfs/dbraw/zinc/82/39/80/489823980.db2.gz MOFGFQPIZCBVJL-UHFFFAOYSA-N 2 1 368.522 0.234 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419028860 489824340 /nfs/dbraw/zinc/82/43/40/489824340.db2.gz QPWFEBBESWOXSF-QLFBSQMISA-N 2 1 354.495 0.045 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000419028387 489824556 /nfs/dbraw/zinc/82/45/56/489824556.db2.gz QCHCGSZBQNVCRT-AWEZNQCLSA-N 2 1 359.405 0.886 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571031768 491281347 /nfs/dbraw/zinc/28/13/47/491281347.db2.gz YYBDSLXBESMTQM-WBVHZDCISA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571031768 491281349 /nfs/dbraw/zinc/28/13/49/491281349.db2.gz YYBDSLXBESMTQM-WBVHZDCISA-N 2 1 374.485 0.390 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419034020 489827058 /nfs/dbraw/zinc/82/70/58/489827058.db2.gz YYECRCSKLMMUCB-BPKGMFCQSA-N 2 1 352.523 0.912 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419034024 489827633 /nfs/dbraw/zinc/82/76/33/489827633.db2.gz YYECRCSKLMMUCB-QEOTZNIISA-N 2 1 352.523 0.912 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCC(C)(C)C)CC3)C[C@@H]21 ZINC000460040716 489829474 /nfs/dbraw/zinc/82/94/74/489829474.db2.gz ZQJBYEYZWYHEQW-CVEARBPZSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041379 489829540 /nfs/dbraw/zinc/82/95/40/489829540.db2.gz BTJIOPCDRNVLEB-NVXWUHKLSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041379 489829544 /nfs/dbraw/zinc/82/95/44/489829544.db2.gz BTJIOPCDRNVLEB-NVXWUHKLSA-N 2 1 364.490 0.005 20 0 FCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)CCO1 ZINC000460041379 489829548 /nfs/dbraw/zinc/82/95/48/489829548.db2.gz BTJIOPCDRNVLEB-NVXWUHKLSA-N 2 1 364.490 0.005 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419044622 489832361 /nfs/dbraw/zinc/83/23/61/489832361.db2.gz UKRFSRHESZZXFS-OAGGEKHMSA-N 2 1 354.495 0.189 20 0 FCADMP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000377011002 489834576 /nfs/dbraw/zinc/83/45/76/489834576.db2.gz CPRWPECWAPABHJ-INIZCTEOSA-N 2 1 358.508 0.954 20 0 FCADMP COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000377011002 489834580 /nfs/dbraw/zinc/83/45/80/489834580.db2.gz CPRWPECWAPABHJ-INIZCTEOSA-N 2 1 358.508 0.954 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)O1 ZINC000460057664 489836838 /nfs/dbraw/zinc/83/68/38/489836838.db2.gz JDBIXESRLHLYDK-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)O1 ZINC000460057664 489836843 /nfs/dbraw/zinc/83/68/43/489836843.db2.gz JDBIXESRLHLYDK-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064877 489841227 /nfs/dbraw/zinc/84/12/27/489841227.db2.gz CQQIMNFMIGNSDP-MAUKXSAKSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419064877 489841231 /nfs/dbraw/zinc/84/12/31/489841231.db2.gz CQQIMNFMIGNSDP-MAUKXSAKSA-N 2 1 374.485 0.392 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419067798 489843177 /nfs/dbraw/zinc/84/31/77/489843177.db2.gz GNSLDIPSGSJEGQ-CABCVRRESA-N 2 1 362.474 0.329 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419067798 489843178 /nfs/dbraw/zinc/84/31/78/489843178.db2.gz GNSLDIPSGSJEGQ-CABCVRRESA-N 2 1 362.474 0.329 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000571049765 491282717 /nfs/dbraw/zinc/28/27/17/491282717.db2.gz LQEUHAUVDJGJJP-ZWKOTPCHSA-N 2 1 358.486 0.932 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460082172 489846906 /nfs/dbraw/zinc/84/69/06/489846906.db2.gz ZVAOGUJHVSSPNQ-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419078993 489848256 /nfs/dbraw/zinc/84/82/56/489848256.db2.gz TYJHDDNQFNDEPH-YJBOKZPZSA-N 2 1 374.485 0.344 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419078993 489848262 /nfs/dbraw/zinc/84/82/62/489848262.db2.gz TYJHDDNQFNDEPH-YJBOKZPZSA-N 2 1 374.485 0.344 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081496 489848907 /nfs/dbraw/zinc/84/89/07/489848907.db2.gz YUIFINGFMRYMKQ-KBXCAEBGSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000419081496 489848911 /nfs/dbraw/zinc/84/89/11/489848911.db2.gz YUIFINGFMRYMKQ-KBXCAEBGSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000419087290 489851696 /nfs/dbraw/zinc/85/16/96/489851696.db2.gz PDVXWSVGKKFBQS-KBXIAJHMSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000419087290 489851700 /nfs/dbraw/zinc/85/17/00/489851700.db2.gz PDVXWSVGKKFBQS-KBXIAJHMSA-N 2 1 354.495 0.186 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000419092347 489853393 /nfs/dbraw/zinc/85/33/93/489853393.db2.gz XCXSYWGCSBJUGQ-OWCLPIDISA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000419092347 489853396 /nfs/dbraw/zinc/85/33/96/489853396.db2.gz XCXSYWGCSBJUGQ-OWCLPIDISA-N 2 1 368.522 0.578 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000419092345 489853432 /nfs/dbraw/zinc/85/34/32/489853432.db2.gz XCXSYWGCSBJUGQ-OAGGEKHMSA-N 2 1 368.522 0.578 20 0 FCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]c1 ZINC000419097028 489854467 /nfs/dbraw/zinc/85/44/67/489854467.db2.gz MTCMAJQSEPXGGH-JYJNAYRXSA-N 2 1 359.474 0.894 20 0 FCADMP COc1cccc([C@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000460237824 489857246 /nfs/dbraw/zinc/85/72/46/489857246.db2.gz BLDCOZCKOGZLDC-FUHWJXTLSA-N 2 1 350.463 0.664 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419110545 489859098 /nfs/dbraw/zinc/85/90/98/489859098.db2.gz CAFQPXOCYLPKSI-XIRDDKMYSA-N 2 1 368.522 0.496 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000460261784 489859255 /nfs/dbraw/zinc/85/92/55/489859255.db2.gz RQJXEAHFOBLYRW-ICSRJNTNSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261784 489859259 /nfs/dbraw/zinc/85/92/59/489859259.db2.gz RQJXEAHFOBLYRW-ICSRJNTNSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261784 489859264 /nfs/dbraw/zinc/85/92/64/489859264.db2.gz RQJXEAHFOBLYRW-ICSRJNTNSA-N 2 1 360.502 0.917 20 0 FCADMP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000460268443 489860711 /nfs/dbraw/zinc/86/07/11/489860711.db2.gz HQWFGOQDEIRPEX-IBGZPJMESA-N 2 1 364.490 0.535 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000419114090 489860687 /nfs/dbraw/zinc/86/06/87/489860687.db2.gz HTBJHQNFOAQLTI-INMHGKMJSA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419115557 489861244 /nfs/dbraw/zinc/86/12/44/489861244.db2.gz JXBQBFSKFWHAOS-GDBMZVCRSA-N 2 1 354.495 0.047 20 0 FCADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000460276284 489861709 /nfs/dbraw/zinc/86/17/09/489861709.db2.gz XMPCYPIHALXRQB-GOSISDBHSA-N 2 1 350.463 0.493 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000419115496 489861984 /nfs/dbraw/zinc/86/19/84/489861984.db2.gz JRGMAKLNWQQLHP-OAHLLOKOSA-N 2 1 354.495 0.237 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419116859 489862477 /nfs/dbraw/zinc/86/24/77/489862477.db2.gz LQMAUXYZJXSBKR-CVEARBPZSA-N 2 1 354.495 0.108 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000419116260 489862713 /nfs/dbraw/zinc/86/27/13/489862713.db2.gz LDDQEHDKFXBEKD-PVAVHDDUSA-N 2 1 368.522 0.435 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419116862 489862776 /nfs/dbraw/zinc/86/27/76/489862776.db2.gz LQMAUXYZJXSBKR-HZPDHXFCSA-N 2 1 354.495 0.108 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419118075 489863581 /nfs/dbraw/zinc/86/35/81/489863581.db2.gz NQSVKGMEBBXKMQ-DOTOQJQBSA-N 2 1 368.522 0.308 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419122788 489866990 /nfs/dbraw/zinc/86/69/90/489866990.db2.gz URCAKYUWPINWMR-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419123183 489867547 /nfs/dbraw/zinc/86/75/47/489867547.db2.gz VHSSVFDBVKMIDT-OIISXLGYSA-N 2 1 368.522 0.435 20 0 FCADMP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000433165447 489870056 /nfs/dbraw/zinc/87/00/56/489870056.db2.gz URMVMFMOGXXNRG-QGZVFWFLSA-N 2 1 352.523 0.761 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000419979796 489872261 /nfs/dbraw/zinc/87/22/61/489872261.db2.gz QKFVAOYWUJNSPF-HOCLYGCPSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000419979796 489872265 /nfs/dbraw/zinc/87/22/65/489872265.db2.gz QKFVAOYWUJNSPF-HOCLYGCPSA-N 2 1 368.522 0.314 20 0 FCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433451476 489885063 /nfs/dbraw/zinc/88/50/63/489885063.db2.gz CAQLYIFDMBDPRY-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433451476 489885067 /nfs/dbraw/zinc/88/50/67/489885067.db2.gz CAQLYIFDMBDPRY-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433451476 489885071 /nfs/dbraw/zinc/88/50/71/489885071.db2.gz CAQLYIFDMBDPRY-DLBZAZTESA-N 2 1 370.538 0.974 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420037663 489888966 /nfs/dbraw/zinc/88/89/66/489888966.db2.gz UWIWTODHBUJLQU-WMZOPIPTSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)CCO1 ZINC000420051361 489895263 /nfs/dbraw/zinc/89/52/63/489895263.db2.gz DWHKTLUEOWXPNA-HLLBOEOZSA-N 2 1 366.506 0.332 20 0 FCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420065367 489899860 /nfs/dbraw/zinc/89/98/60/489899860.db2.gz POPYOSSWBZJOOF-JKIFEVAISA-N 2 1 366.506 0.188 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420075458 489904536 /nfs/dbraw/zinc/90/45/36/489904536.db2.gz SMRVJANHNWNPQF-NVXWUHKLSA-N 2 1 350.507 0.810 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000377560041 489919087 /nfs/dbraw/zinc/91/90/87/489919087.db2.gz FRFKEIUQXNMOLZ-XDNAFOTISA-N 2 1 352.523 0.626 20 0 FCADMP CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000377560041 489919092 /nfs/dbraw/zinc/91/90/92/489919092.db2.gz FRFKEIUQXNMOLZ-XDNAFOTISA-N 2 1 352.523 0.626 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000420155050 489934462 /nfs/dbraw/zinc/93/44/62/489934462.db2.gz CYMKECDVEBDXFV-OAGGEKHMSA-N 2 1 368.522 0.184 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1C[C@@H](C)O ZINC000420155050 489934464 /nfs/dbraw/zinc/93/44/64/489934464.db2.gz CYMKECDVEBDXFV-OAGGEKHMSA-N 2 1 368.522 0.184 20 0 FCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000420162163 489936719 /nfs/dbraw/zinc/93/67/19/489936719.db2.gz DCEDPUQCWQZOQF-INIZCTEOSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000420160017 489936762 /nfs/dbraw/zinc/93/67/62/489936762.db2.gz DDEWBKZGTALPTN-QGZVFWFLSA-N 2 1 366.506 0.372 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000420160017 489936763 /nfs/dbraw/zinc/93/67/63/489936763.db2.gz DDEWBKZGTALPTN-QGZVFWFLSA-N 2 1 366.506 0.372 20 0 FCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420163941 489937192 /nfs/dbraw/zinc/93/71/92/489937192.db2.gz LLHFZZBKNUQNNH-OAGGEKHMSA-N 2 1 350.507 0.966 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)c1 ZINC000420166953 489937542 /nfs/dbraw/zinc/93/75/42/489937542.db2.gz QQDLAHLGXYUELA-UHFFFAOYSA-N 2 1 357.458 0.465 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000556021851 491289756 /nfs/dbraw/zinc/28/97/56/491289756.db2.gz VVFVLZIBWLGROE-MRXNPFEDSA-N 2 1 366.506 0.347 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000420187469 489945014 /nfs/dbraw/zinc/94/50/14/489945014.db2.gz RJQYUFNLNALNFN-IRXDYDNUSA-N 2 1 368.522 0.452 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420194313 489947378 /nfs/dbraw/zinc/94/73/78/489947378.db2.gz JSMMWXZGDIZXGE-JFIYKMOQSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420194313 489947383 /nfs/dbraw/zinc/94/73/83/489947383.db2.gz JSMMWXZGDIZXGE-JFIYKMOQSA-N 2 1 374.485 0.212 20 0 FCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420214624 489954394 /nfs/dbraw/zinc/95/43/94/489954394.db2.gz ZPEHUBIWJDFFEH-FUHWJXTLSA-N 2 1 374.485 0.214 20 0 FCADMP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCC[NH+]2CCSCC2)([NH+](C)C)C1 ZINC000477305290 489957314 /nfs/dbraw/zinc/95/73/14/489957314.db2.gz YOANOIPXDJJIFW-MAUKXSAKSA-N 2 1 370.563 0.778 20 0 FCADMP Nc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc12 ZINC000420301990 489961351 /nfs/dbraw/zinc/96/13/51/489961351.db2.gz WCYOBEHQPMKATN-CQSZACIVSA-N 2 1 354.458 0.856 20 0 FCADMP Nc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc12 ZINC000420301990 489961355 /nfs/dbraw/zinc/96/13/55/489961355.db2.gz WCYOBEHQPMKATN-CQSZACIVSA-N 2 1 354.458 0.856 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000556066053 491291568 /nfs/dbraw/zinc/29/15/68/491291568.db2.gz UFYXBBPNVLWLLB-INIZCTEOSA-N 2 1 350.507 0.968 20 0 FCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348669 489965526 /nfs/dbraw/zinc/96/55/26/489965526.db2.gz MKPNLCQEUKQPMI-GJZGRUSLSA-N 2 1 366.456 0.992 20 0 FCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348669 489965529 /nfs/dbraw/zinc/96/55/29/489965529.db2.gz MKPNLCQEUKQPMI-GJZGRUSLSA-N 2 1 366.456 0.992 20 0 FCADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347542 489965676 /nfs/dbraw/zinc/96/56/76/489965676.db2.gz HHALSBSWUHXROT-QGZVFWFLSA-N 2 1 360.458 0.781 20 0 FCADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347542 489965680 /nfs/dbraw/zinc/96/56/80/489965680.db2.gz HHALSBSWUHXROT-QGZVFWFLSA-N 2 1 360.458 0.781 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCCOc1ccccc1F ZINC000420348458 489965888 /nfs/dbraw/zinc/96/58/88/489965888.db2.gz LWFSKQWJRGRXKK-INIZCTEOSA-N 2 1 364.465 0.690 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCCOc1ccccc1F ZINC000420348458 489965892 /nfs/dbraw/zinc/96/58/92/489965892.db2.gz LWFSKQWJRGRXKK-INIZCTEOSA-N 2 1 364.465 0.690 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373808 489968963 /nfs/dbraw/zinc/96/89/63/489968963.db2.gz NGWMVYBKGMRXKS-MJGOQNOKSA-N 2 1 352.523 0.535 20 0 FCADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420380423 489969389 /nfs/dbraw/zinc/96/93/89/489969389.db2.gz OCUWLXOAMMHFNV-MAUKXSAKSA-N 2 1 354.495 0.189 20 0 FCADMP CS(=O)(=O)CC1CCC([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000556076441 491292031 /nfs/dbraw/zinc/29/20/31/491292031.db2.gz MQWQPKITCOACIG-HWOWSKLDSA-N 2 1 359.536 0.767 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000477968631 489998782 /nfs/dbraw/zinc/99/87/82/489998782.db2.gz VMALJDWHCYCTHK-JTDSTZFVSA-N 2 1 368.522 0.450 20 0 FCADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]12 ZINC000435380520 490000261 /nfs/dbraw/zinc/00/02/61/490000261.db2.gz OMDYOQLBVMRNDN-USXIJHARSA-N 2 1 365.499 0.877 20 0 FCADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]12 ZINC000435380520 490000264 /nfs/dbraw/zinc/00/02/64/490000264.db2.gz OMDYOQLBVMRNDN-USXIJHARSA-N 2 1 365.499 0.877 20 0 FCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378132413 490014417 /nfs/dbraw/zinc/01/44/17/490014417.db2.gz QBUQGPFIQGGDSA-QGZVFWFLSA-N 2 1 361.490 0.418 20 0 FCADMP O=C(CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539486 490023714 /nfs/dbraw/zinc/02/37/14/490023714.db2.gz FKODEDWFXPYIHF-WBVHZDCISA-N 2 1 359.474 0.990 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1=O ZINC000378187284 490024690 /nfs/dbraw/zinc/02/46/90/490024690.db2.gz IMSXTZMELWXSQM-HZMVEIRTSA-N 2 1 350.507 0.905 20 0 FCADMP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824126 490025082 /nfs/dbraw/zinc/02/50/82/490025082.db2.gz WSTGNLGJJTZVHV-HOCLYGCPSA-N 2 1 362.474 0.625 20 0 FCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000420824126 490025084 /nfs/dbraw/zinc/02/50/84/490025084.db2.gz WSTGNLGJJTZVHV-HOCLYGCPSA-N 2 1 362.474 0.625 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000420904512 490031030 /nfs/dbraw/zinc/03/10/30/490031030.db2.gz PXPYTFKDDSAMEI-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000420904512 490031036 /nfs/dbraw/zinc/03/10/36/490031036.db2.gz PXPYTFKDDSAMEI-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000420904512 490031040 /nfs/dbraw/zinc/03/10/40/490031040.db2.gz PXPYTFKDDSAMEI-DLBZAZTESA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395846 490059177 /nfs/dbraw/zinc/05/91/77/490059177.db2.gz CDHAAGVIEPABTQ-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556122773 491296535 /nfs/dbraw/zinc/29/65/35/491296535.db2.gz DTOGHOYWWVFOLW-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556122773 491296538 /nfs/dbraw/zinc/29/65/38/491296538.db2.gz DTOGHOYWWVFOLW-OWCLPIDISA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCCC1 ZINC000479064480 490064489 /nfs/dbraw/zinc/06/44/89/490064489.db2.gz RMVMWWHAOPQKJM-OAHLLOKOSA-N 2 1 353.511 0.747 20 0 FCADMP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C ZINC000443054838 490064817 /nfs/dbraw/zinc/06/48/17/490064817.db2.gz ALFXWQBJGBCPFD-AWEZNQCLSA-N 2 1 368.503 0.902 20 0 FCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443061169 490065786 /nfs/dbraw/zinc/06/57/86/490065786.db2.gz RAQCYZOLSZBZBW-INIZCTEOSA-N 2 1 367.538 0.106 20 0 FCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000443057438 490065906 /nfs/dbraw/zinc/06/59/06/490065906.db2.gz GOYHCLZXMLKMKJ-INIZCTEOSA-N 2 1 350.507 0.908 20 0 FCADMP CC(C)C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000519765030 490079788 /nfs/dbraw/zinc/07/97/88/490079788.db2.gz JAUFVPWNBAUGTG-JKSUJKDBSA-N 2 1 354.495 0.108 20 0 FCADMP COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000479280574 490081526 /nfs/dbraw/zinc/08/15/26/490081526.db2.gz IDURFFCKBXGVSD-HNNXBMFYSA-N 2 1 373.523 0.061 20 0 FCADMP COCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000479280574 490081531 /nfs/dbraw/zinc/08/15/31/490081531.db2.gz IDURFFCKBXGVSD-HNNXBMFYSA-N 2 1 373.523 0.061 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727327 490102189 /nfs/dbraw/zinc/10/21/89/490102189.db2.gz WMARJORJUTWQJS-PBHICJAKSA-N 2 1 356.536 0.388 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496327614 490114119 /nfs/dbraw/zinc/11/41/19/490114119.db2.gz MENZKGXSWYWQDF-UHFFFAOYSA-N 2 1 369.554 0.319 20 0 FCADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000496499271 490120399 /nfs/dbraw/zinc/12/03/99/490120399.db2.gz USSVJPIGEYNLLO-INIZCTEOSA-N 2 1 364.494 0.762 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000556174402 491300610 /nfs/dbraw/zinc/30/06/10/491300610.db2.gz KWOOOLDALSSJFU-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000556174402 491300611 /nfs/dbraw/zinc/30/06/11/491300611.db2.gz KWOOOLDALSSJFU-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000556174402 491300612 /nfs/dbraw/zinc/30/06/12/491300612.db2.gz KWOOOLDALSSJFU-DLBZAZTESA-N 2 1 368.522 0.452 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477537 490123833 /nfs/dbraw/zinc/12/38/33/490123833.db2.gz OVDHCNPHQVPREB-INIZCTEOSA-N 2 1 353.511 0.570 20 0 FCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000388418553 490133885 /nfs/dbraw/zinc/13/38/85/490133885.db2.gz PNLAMYCECOIYHD-GOSISDBHSA-N 2 1 358.486 0.837 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465915582 490150557 /nfs/dbraw/zinc/15/05/57/490150557.db2.gz AFENOTBQZIXZSD-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465915582 490150563 /nfs/dbraw/zinc/15/05/63/490150563.db2.gz AFENOTBQZIXZSD-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465915582 490150566 /nfs/dbraw/zinc/15/05/66/490150566.db2.gz AFENOTBQZIXZSD-KRWDZBQOSA-N 2 1 355.527 0.160 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465956936 490159065 /nfs/dbraw/zinc/15/90/65/490159065.db2.gz RCVWVFODBFIMNF-IKGGRYGDSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465956936 490159073 /nfs/dbraw/zinc/15/90/73/490159073.db2.gz RCVWVFODBFIMNF-IKGGRYGDSA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465956936 490159079 /nfs/dbraw/zinc/15/90/79/490159079.db2.gz RCVWVFODBFIMNF-IKGGRYGDSA-N 2 1 367.538 0.993 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000446801192 490165293 /nfs/dbraw/zinc/16/52/93/490165293.db2.gz IKKKUQJIZHSSPI-GJZGRUSLSA-N 2 1 364.494 0.714 20 0 FCADMP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)CN1CC[NH+](C)CC1 ZINC000466130777 490168326 /nfs/dbraw/zinc/16/83/26/490168326.db2.gz JBZHZGSLGLTKPC-QZTJIDSGSA-N 2 1 369.554 0.262 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000556248450 491306140 /nfs/dbraw/zinc/30/61/40/491306140.db2.gz ZZHWFBQXTRLERC-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000556248450 491306142 /nfs/dbraw/zinc/30/61/42/491306142.db2.gz ZZHWFBQXTRLERC-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556248450 491306143 /nfs/dbraw/zinc/30/61/43/491306143.db2.gz ZZHWFBQXTRLERC-DLBZAZTESA-N 2 1 362.518 0.777 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCC[NH+]3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676577 490192627 /nfs/dbraw/zinc/19/26/27/490192627.db2.gz IIDKKTAWMFBRMN-QZTJIDSGSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000497676577 490192632 /nfs/dbraw/zinc/19/26/32/490192632.db2.gz IIDKKTAWMFBRMN-QZTJIDSGSA-N 2 1 367.538 0.112 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000497676577 490192640 /nfs/dbraw/zinc/19/26/40/490192640.db2.gz IIDKKTAWMFBRMN-QZTJIDSGSA-N 2 1 367.538 0.112 20 0 FCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000571418784 491306555 /nfs/dbraw/zinc/30/65/55/491306555.db2.gz NNJZABZOMPKREG-RBUKOAKNSA-N 2 1 359.518 0.848 20 0 FCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000533242961 490200772 /nfs/dbraw/zinc/20/07/72/490200772.db2.gz NALKMUBAMXRARK-CYBMUJFWSA-N 2 1 368.503 0.935 20 0 FCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000571428368 491307576 /nfs/dbraw/zinc/30/75/76/491307576.db2.gz IBRKCMHRNWRQCF-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000571428368 491307579 /nfs/dbraw/zinc/30/75/79/491307579.db2.gz IBRKCMHRNWRQCF-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000571428368 491307582 /nfs/dbraw/zinc/30/75/82/491307582.db2.gz IBRKCMHRNWRQCF-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000480615235 490215350 /nfs/dbraw/zinc/21/53/50/490215350.db2.gz RWZSTFSIBSOBRN-AWEZNQCLSA-N 2 1 357.520 0.815 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)nc(C)[nH+]1 ZINC000408032800 490218994 /nfs/dbraw/zinc/21/89/94/490218994.db2.gz CGHZQVGIUPFRRV-QGZVFWFLSA-N 2 1 358.490 0.568 20 0 FCADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)nc(C)[nH+]1 ZINC000408032800 490218998 /nfs/dbraw/zinc/21/89/98/490218998.db2.gz CGHZQVGIUPFRRV-QGZVFWFLSA-N 2 1 358.490 0.568 20 0 FCADMP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000521075051 490221851 /nfs/dbraw/zinc/22/18/51/490221851.db2.gz NRFAYVCYODMCMK-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000422278498 490222087 /nfs/dbraw/zinc/22/20/87/490222087.db2.gz AFRQPIAREIFGGU-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000422278498 490222091 /nfs/dbraw/zinc/22/20/91/490222091.db2.gz AFRQPIAREIFGGU-CVEARBPZSA-N 2 1 354.495 0.012 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000521273831 490243449 /nfs/dbraw/zinc/24/34/49/490243449.db2.gz IEQDTCNEIWSYQF-OALUTQOASA-N 2 1 372.513 0.878 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000556363070 491311834 /nfs/dbraw/zinc/31/18/34/491311834.db2.gz SASKFLRXNADZGZ-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000556363070 491311835 /nfs/dbraw/zinc/31/18/35/491311835.db2.gz SASKFLRXNADZGZ-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000556363070 491311836 /nfs/dbraw/zinc/31/18/36/491311836.db2.gz SASKFLRXNADZGZ-ULQDDVLXSA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000422344039 490269370 /nfs/dbraw/zinc/26/93/70/490269370.db2.gz USASOMCAOFDZBE-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344039 490269380 /nfs/dbraw/zinc/26/93/80/490269380.db2.gz USASOMCAOFDZBE-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344039 490269388 /nfs/dbraw/zinc/26/93/88/490269388.db2.gz USASOMCAOFDZBE-SJORKVTESA-N 2 1 350.507 0.920 20 0 FCADMP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000447913012 490292161 /nfs/dbraw/zinc/29/21/61/490292161.db2.gz LNXORHLJLJMHOU-IRXDYDNUSA-N 2 1 369.506 0.267 20 0 FCADMP O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000447913007 490292572 /nfs/dbraw/zinc/29/25/72/490292572.db2.gz LNXORHLJLJMHOU-DLBZAZTESA-N 2 1 369.506 0.267 20 0 FCADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897327 490308799 /nfs/dbraw/zinc/30/87/99/490308799.db2.gz BGJMKTBTVMGNDH-WBVHZDCISA-N 2 1 361.490 0.476 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000521896742 490309380 /nfs/dbraw/zinc/30/93/80/490309380.db2.gz WZBLCJULQNDSPS-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000521896742 490309385 /nfs/dbraw/zinc/30/93/85/490309385.db2.gz WZBLCJULQNDSPS-UHFFFAOYSA-N 2 1 353.511 0.713 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000422426802 490311024 /nfs/dbraw/zinc/31/10/24/490311024.db2.gz BVIUHFZYOFQRQD-SFHVURJKSA-N 2 1 360.502 0.960 20 0 FCADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ncc1C(N)=O ZINC000521969810 490318519 /nfs/dbraw/zinc/31/85/19/490318519.db2.gz MOQWYZNAPXLYAL-UHFFFAOYSA-N 2 1 354.414 0.888 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000522014198 490327497 /nfs/dbraw/zinc/32/74/97/490327497.db2.gz LHYYPXNVKBGSRX-MRXNPFEDSA-N 2 1 364.515 0.527 20 0 FCADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000522014198 490327501 /nfs/dbraw/zinc/32/75/01/490327501.db2.gz LHYYPXNVKBGSRX-MRXNPFEDSA-N 2 1 364.515 0.527 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000422458201 490333146 /nfs/dbraw/zinc/33/31/46/490333146.db2.gz VNYDIXOCOPQMDW-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1CC(C)(C)O ZINC000422458201 490333153 /nfs/dbraw/zinc/33/31/53/490333153.db2.gz VNYDIXOCOPQMDW-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000422458201 490333160 /nfs/dbraw/zinc/33/31/60/490333160.db2.gz VNYDIXOCOPQMDW-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000422458201 490333167 /nfs/dbraw/zinc/33/31/67/490333167.db2.gz VNYDIXOCOPQMDW-OAHLLOKOSA-N 2 1 368.522 0.281 20 0 FCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467707653 490333578 /nfs/dbraw/zinc/33/35/78/490333578.db2.gz SCWIVZAEDCLAEN-YQQQUEKLSA-N 2 1 371.481 0.950 20 0 FCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000448325506 490333920 /nfs/dbraw/zinc/33/39/20/490333920.db2.gz PVUQWQHLYLFDDP-HNNXBMFYSA-N 2 1 370.457 1.442 20 0 FCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000408437194 490335687 /nfs/dbraw/zinc/33/56/87/490335687.db2.gz QNUYNQMZNNUTKQ-GOEBONIOSA-N 2 1 353.511 0.521 20 0 FCADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000408437194 490335697 /nfs/dbraw/zinc/33/56/97/490335697.db2.gz QNUYNQMZNNUTKQ-GOEBONIOSA-N 2 1 353.511 0.521 20 0 FCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCCC[C@H]1C ZINC000448488091 490356682 /nfs/dbraw/zinc/35/66/82/490356682.db2.gz OTQKWBWVVRCSKX-HUUCEWRRSA-N 2 1 364.494 0.762 20 0 FCADMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000422492570 490357161 /nfs/dbraw/zinc/35/71/61/490357161.db2.gz PBAWRIORPINMIA-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000422492570 490357166 /nfs/dbraw/zinc/35/71/66/490357166.db2.gz PBAWRIORPINMIA-SJORKVTESA-N 2 1 366.506 0.015 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000409626145 490357264 /nfs/dbraw/zinc/35/72/64/490357264.db2.gz QNKWDFMMLDWUKX-SJORKVTESA-N 2 1 351.495 0.982 20 0 FCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000498961907 490373899 /nfs/dbraw/zinc/37/38/99/490373899.db2.gz IWWHIQNGQLRTOS-QGZVFWFLSA-N 2 1 366.506 0.324 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000498966763 490374309 /nfs/dbraw/zinc/37/43/09/490374309.db2.gz FKOMTHUODDTRIO-MSOLQXFVSA-N 2 1 369.554 0.501 20 0 FCADMP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000468333248 490387705 /nfs/dbraw/zinc/38/77/05/490387705.db2.gz XIOAUWPXKROSKA-UHFFFAOYSA-N 2 1 355.527 0.912 20 0 FCADMP COC(=O)Cn1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000449107902 490401524 /nfs/dbraw/zinc/40/15/24/490401524.db2.gz OUXCLXNWMQHAFQ-UHFFFAOYSA-N 2 1 373.461 0.148 20 0 FCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000449350391 490411283 /nfs/dbraw/zinc/41/12/83/490411283.db2.gz ZBPBDKVMQPHMIB-ZTFGCOKTSA-N 2 1 358.486 0.856 20 0 FCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C[NH3+] ZINC000422625285 490433587 /nfs/dbraw/zinc/43/35/87/490433587.db2.gz BFHNGJKLANSFMC-PMPSAXMXSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C[NH3+] ZINC000422625285 490433596 /nfs/dbraw/zinc/43/35/96/490433596.db2.gz BFHNGJKLANSFMC-PMPSAXMXSA-N 2 1 362.474 0.869 20 0 FCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000422642573 490440061 /nfs/dbraw/zinc/44/00/61/490440061.db2.gz ZPPDKJIPFBEKMO-ZACQAIPSSA-N 2 1 360.506 0.821 20 0 FCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000422642572 490440229 /nfs/dbraw/zinc/44/02/29/490440229.db2.gz ZPPDKJIPFBEKMO-IXDOHACOSA-N 2 1 360.506 0.821 20 0 FCADMP [NH3+]CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000564796518 491327211 /nfs/dbraw/zinc/32/72/11/491327211.db2.gz MLPOPRZIRLGVAL-QGZVFWFLSA-N 2 1 356.474 0.921 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000509711099 490454244 /nfs/dbraw/zinc/45/42/44/490454244.db2.gz AGNMQQKNEFCZIJ-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000571778345 491328647 /nfs/dbraw/zinc/32/86/47/491328647.db2.gz JVFGESOPPMWSKQ-CVEARBPZSA-N 2 1 363.437 0.211 20 0 FCADMP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535097781 490455585 /nfs/dbraw/zinc/45/55/85/490455585.db2.gz YFNBQJMJSNAZIP-CVEARBPZSA-N 2 1 359.536 0.827 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000509727508 490458385 /nfs/dbraw/zinc/45/83/85/490458385.db2.gz ZHPLIQKMIAMFDX-MRXNPFEDSA-N 2 1 354.495 0.158 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cn2)CC1 ZINC000484738081 490460116 /nfs/dbraw/zinc/46/01/16/490460116.db2.gz MDEAYXGFTFHPQE-GOSISDBHSA-N 2 1 365.478 0.411 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000468949814 490467455 /nfs/dbraw/zinc/46/74/55/490467455.db2.gz IVWJYCAODQUDGG-INIZCTEOSA-N 2 1 366.506 0.478 20 0 FCADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484874476 490473709 /nfs/dbraw/zinc/47/37/09/490473709.db2.gz DPRICRWDDCMZGM-BZUAXINKSA-N 2 1 364.490 0.988 20 0 FCADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C2 ZINC000571801506 491330162 /nfs/dbraw/zinc/33/01/62/491330162.db2.gz YDGJVFMPGUTASH-OTRWWLKZSA-N 2 1 366.506 0.101 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984747 490486623 /nfs/dbraw/zinc/48/66/23/490486623.db2.gz CWWYQEJBMJRQNO-MAUKXSAKSA-N 2 1 374.485 0.444 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000484984747 490486628 /nfs/dbraw/zinc/48/66/28/490486628.db2.gz CWWYQEJBMJRQNO-MAUKXSAKSA-N 2 1 374.485 0.444 20 0 FCADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000523914466 490503439 /nfs/dbraw/zinc/50/34/39/490503439.db2.gz HDXWNDQGJZGMOF-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000523914466 490503443 /nfs/dbraw/zinc/50/34/43/490503443.db2.gz HDXWNDQGJZGMOF-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000523914466 490503448 /nfs/dbraw/zinc/50/34/48/490503448.db2.gz HDXWNDQGJZGMOF-MRXNPFEDSA-N 2 1 353.511 0.713 20 0 FCADMP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)CC[NH2+]CC1 ZINC000422982405 490510371 /nfs/dbraw/zinc/51/03/71/490510371.db2.gz WOZNAUWZTKCVKG-QGZVFWFLSA-N 3 1 354.539 0.925 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423040769 490528275 /nfs/dbraw/zinc/52/82/75/490528275.db2.gz VEFMNEDRBNCQCK-FUHWJXTLSA-N 2 1 358.486 0.569 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423055940 490532396 /nfs/dbraw/zinc/53/23/96/490532396.db2.gz XFNNBZFAFHANCW-KRWDZBQOSA-N 2 1 374.485 0.550 20 0 FCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423055940 490532401 /nfs/dbraw/zinc/53/24/01/490532401.db2.gz XFNNBZFAFHANCW-KRWDZBQOSA-N 2 1 374.485 0.550 20 0 FCADMP CCN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423062627 490533073 /nfs/dbraw/zinc/53/30/73/490533073.db2.gz UOLGZDMNSDDYMZ-MSOLQXFVSA-N 2 1 374.485 0.296 20 0 FCADMP CN(C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423063672 490533218 /nfs/dbraw/zinc/53/32/18/490533218.db2.gz XCFAVCCVUXONEE-QYZOEREBSA-N 2 1 370.497 0.787 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423066254 490535311 /nfs/dbraw/zinc/53/53/11/490535311.db2.gz DGWGQGDMBGDMRM-DOTOQJQBSA-N 2 1 362.449 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000571872473 491334103 /nfs/dbraw/zinc/33/41/03/491334103.db2.gz DZOOJFMIWSGETF-JFIYKMOQSA-N 2 1 358.486 0.915 20 0 FCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000524780810 490559407 /nfs/dbraw/zinc/55/94/07/490559407.db2.gz WRIFLJWDEGBQJF-KRWDZBQOSA-N 2 1 367.538 0.519 20 0 FCADMP CN(C)c1nc(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)cc[nH+]1 ZINC000485792987 490559441 /nfs/dbraw/zinc/55/94/41/490559441.db2.gz ZTDHDGGUUDRHHQ-ZDUSSCGKSA-N 2 1 370.461 0.305 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485814849 490560125 /nfs/dbraw/zinc/56/01/25/490560125.db2.gz HFMJNEYWDVVTBL-ZDUSSCGKSA-N 2 1 362.478 0.207 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485819465 490561196 /nfs/dbraw/zinc/56/11/96/490561196.db2.gz MMOWAZLHBNNLSF-INIZCTEOSA-N 2 1 363.510 0.350 20 0 FCADMP CCN1CC[NH+](CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524794357 490561398 /nfs/dbraw/zinc/56/13/98/490561398.db2.gz PRPOCNTZVODEBR-OAQYLSRUSA-N 2 1 374.529 0.767 20 0 FCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830068 490562519 /nfs/dbraw/zinc/56/25/19/490562519.db2.gz MTJOQLDZGABUSO-HZPDHXFCSA-N 2 1 363.510 0.206 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989333 490579184 /nfs/dbraw/zinc/57/91/84/490579184.db2.gz NHFVYFFPVAEJHM-XWTMOSNGSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989333 490579188 /nfs/dbraw/zinc/57/91/88/490579188.db2.gz NHFVYFFPVAEJHM-XWTMOSNGSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989333 490579190 /nfs/dbraw/zinc/57/91/90/490579190.db2.gz NHFVYFFPVAEJHM-XWTMOSNGSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H](C)O1 ZINC000485989333 490579196 /nfs/dbraw/zinc/57/91/96/490579196.db2.gz NHFVYFFPVAEJHM-XWTMOSNGSA-N 2 1 350.507 0.477 20 0 FCADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000525179861 490582917 /nfs/dbraw/zinc/58/29/17/490582917.db2.gz DXQZTOYAQKOTSC-PXNSSMCTSA-N 2 1 360.502 0.376 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000525373549 490600117 /nfs/dbraw/zinc/60/01/17/490600117.db2.gz DYHUUXQOVOEVSB-UHFFFAOYSA-N 2 1 369.510 0.248 20 0 FCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958134 491339774 /nfs/dbraw/zinc/33/97/74/491339774.db2.gz JARNTSJVCMFVDJ-RHSMWYFYSA-N 2 1 362.474 0.769 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000501600499 490620665 /nfs/dbraw/zinc/62/06/65/490620665.db2.gz SRGNEVKQSAVBHX-MRXNPFEDSA-N 2 1 368.522 0.450 20 0 FCADMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501610648 490622753 /nfs/dbraw/zinc/62/27/53/490622753.db2.gz FFOHCDOPIAMFLF-INIZCTEOSA-N 2 1 354.495 0.062 20 0 FCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815067 490636031 /nfs/dbraw/zinc/63/60/31/490636031.db2.gz FOOFZCPSOMHQNA-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815067 490636039 /nfs/dbraw/zinc/63/60/39/490636039.db2.gz FOOFZCPSOMHQNA-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000525815067 490636042 /nfs/dbraw/zinc/63/60/42/490636042.db2.gz FOOFZCPSOMHQNA-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501848917 490647558 /nfs/dbraw/zinc/64/75/58/490647558.db2.gz HQSOZRSZAOARAS-RBUKOAKNSA-N 2 1 357.539 0.748 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@H+]1CC=CCC1 ZINC000526027546 490666789 /nfs/dbraw/zinc/66/67/89/490666789.db2.gz PPFNQNYYPFSJHU-QGZVFWFLSA-N 2 1 364.490 0.078 20 0 FCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000526027546 490666793 /nfs/dbraw/zinc/66/67/93/490666793.db2.gz PPFNQNYYPFSJHU-QGZVFWFLSA-N 2 1 364.490 0.078 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000486767840 490668704 /nfs/dbraw/zinc/66/87/04/490668704.db2.gz DUUXGNUVFHFQAZ-UHFFFAOYSA-N 2 1 362.518 0.868 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000486771162 490670234 /nfs/dbraw/zinc/67/02/34/490670234.db2.gz KWVOUHBZDWWALI-GOEBONIOSA-N 2 1 352.523 0.927 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486817836 490674243 /nfs/dbraw/zinc/67/42/43/490674243.db2.gz ICOADIYTCKXIEZ-PJOUBLGMSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486817836 490674251 /nfs/dbraw/zinc/67/42/51/490674251.db2.gz ICOADIYTCKXIEZ-PJOUBLGMSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486817836 490674258 /nfs/dbraw/zinc/67/42/58/490674258.db2.gz ICOADIYTCKXIEZ-PJOUBLGMSA-N 2 1 364.534 0.925 20 0 FCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000486943022 490681536 /nfs/dbraw/zinc/68/15/36/490681536.db2.gz WVPMMRBHSREMSY-JQHSSLGASA-N 2 1 360.502 0.589 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487012311 490686781 /nfs/dbraw/zinc/68/67/81/490686781.db2.gz AQNFHKSXGFNUNM-VIQHNZTISA-N 2 1 368.522 0.019 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487012311 490686787 /nfs/dbraw/zinc/68/67/87/490686787.db2.gz AQNFHKSXGFNUNM-VIQHNZTISA-N 2 1 368.522 0.019 20 0 FCADMP CCO[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487012311 490686791 /nfs/dbraw/zinc/68/67/91/490686791.db2.gz AQNFHKSXGFNUNM-VIQHNZTISA-N 2 1 368.522 0.019 20 0 FCADMP C[NH+]1CCC(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512601891 490690212 /nfs/dbraw/zinc/69/02/12/490690212.db2.gz KWJNDMNDGKVYCA-UHFFFAOYSA-N 2 1 355.527 0.018 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512806732 490699561 /nfs/dbraw/zinc/69/95/61/490699561.db2.gz AVXBKCGWPWZIBG-KRWDZBQOSA-N 2 1 355.527 0.112 20 0 FCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512806732 490699563 /nfs/dbraw/zinc/69/95/63/490699563.db2.gz AVXBKCGWPWZIBG-KRWDZBQOSA-N 2 1 355.527 0.112 20 0 FCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512806732 490699568 /nfs/dbraw/zinc/69/95/68/490699568.db2.gz AVXBKCGWPWZIBG-KRWDZBQOSA-N 2 1 355.527 0.112 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000538043194 490706623 /nfs/dbraw/zinc/70/66/23/490706623.db2.gz FACLIHZMXHNFHD-OKILXGFUSA-N 2 1 356.467 0.162 20 0 FCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000538043194 490706628 /nfs/dbraw/zinc/70/66/28/490706628.db2.gz FACLIHZMXHNFHD-OKILXGFUSA-N 2 1 356.467 0.162 20 0 FCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000557001612 491348588 /nfs/dbraw/zinc/34/85/88/491348588.db2.gz UPIHXHPWQYSVJI-NVXWUHKLSA-N 2 1 366.506 0.299 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487710391 490727269 /nfs/dbraw/zinc/72/72/69/490727269.db2.gz QPLJBGLRWZWKOU-AVEIZBFRSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487710391 490727271 /nfs/dbraw/zinc/72/72/71/490727271.db2.gz QPLJBGLRWZWKOU-AVEIZBFRSA-N 2 1 366.550 0.981 20 0 FCADMP CC(C)[C@H](CN(C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487710391 490727273 /nfs/dbraw/zinc/72/72/73/490727273.db2.gz QPLJBGLRWZWKOU-AVEIZBFRSA-N 2 1 366.550 0.981 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000503295678 490750178 /nfs/dbraw/zinc/75/01/78/490750178.db2.gz HCWSMOWSZFPPCR-DLBZAZTESA-N 2 1 365.522 0.903 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000503295678 490750181 /nfs/dbraw/zinc/75/01/81/490750181.db2.gz HCWSMOWSZFPPCR-DLBZAZTESA-N 2 1 365.522 0.903 20 0 FCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCN3C(=O)CCC3=O)CC2)C[C@H](C)O1 ZINC000539149173 490765187 /nfs/dbraw/zinc/76/51/87/490765187.db2.gz PVNDXKJGLCOWRJ-HOTGVXAUSA-N 2 1 367.490 0.726 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000488579135 490765226 /nfs/dbraw/zinc/76/52/26/490765226.db2.gz PPJCSHYINAZFNN-XDCWJTEKSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000488579135 490765227 /nfs/dbraw/zinc/76/52/27/490765227.db2.gz PPJCSHYINAZFNN-XDCWJTEKSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000488579135 490765228 /nfs/dbraw/zinc/76/52/28/490765228.db2.gz PPJCSHYINAZFNN-XDCWJTEKSA-N 2 1 364.534 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000488579131 490765249 /nfs/dbraw/zinc/76/52/49/490765249.db2.gz PPJCSHYINAZFNN-BAPGRXHISA-N 2 1 364.534 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000488579131 490765251 /nfs/dbraw/zinc/76/52/51/490765251.db2.gz PPJCSHYINAZFNN-BAPGRXHISA-N 2 1 364.534 0.737 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000488579131 490765252 /nfs/dbraw/zinc/76/52/52/490765252.db2.gz PPJCSHYINAZFNN-BAPGRXHISA-N 2 1 364.534 0.737 20 0 FCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)c(C)c2)CC1 ZINC000503649909 490768900 /nfs/dbraw/zinc/76/89/00/490768900.db2.gz YBRKSKVORMCSRN-UHFFFAOYSA-N 2 1 373.501 0.897 20 0 FCADMP CC(C)Nc1nc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765736 490774976 /nfs/dbraw/zinc/77/49/76/490774976.db2.gz HZSIJVXYWVMOFJ-SOUVJXGZSA-N 2 1 363.510 0.106 20 0 FCADMP CC(C)Nc1nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000488765736 490774980 /nfs/dbraw/zinc/77/49/80/490774980.db2.gz HZSIJVXYWVMOFJ-SOUVJXGZSA-N 2 1 363.510 0.106 20 0 FCADMP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000514788541 490788194 /nfs/dbraw/zinc/78/81/94/490788194.db2.gz KLXSBQZHHBEWAN-KRWDZBQOSA-N 2 1 373.501 0.768 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@H]1C ZINC000514816669 490790498 /nfs/dbraw/zinc/79/04/98/490790498.db2.gz LHOYKRGTUSEQKS-HDEZJCGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@H]1C ZINC000514816669 490790501 /nfs/dbraw/zinc/79/05/01/490790501.db2.gz LHOYKRGTUSEQKS-HDEZJCGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@H]1C ZINC000514816669 490790504 /nfs/dbraw/zinc/79/05/04/490790504.db2.gz LHOYKRGTUSEQKS-HDEZJCGLSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000514977690 490801415 /nfs/dbraw/zinc/80/14/15/490801415.db2.gz ZNIDKNRMRGCDHX-MRXNPFEDSA-N 2 1 365.478 0.322 20 0 FCADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCN1CCCOCC1 ZINC000514977690 490801419 /nfs/dbraw/zinc/80/14/19/490801419.db2.gz ZNIDKNRMRGCDHX-MRXNPFEDSA-N 2 1 365.478 0.322 20 0 FCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604907 490811911 /nfs/dbraw/zinc/81/19/11/490811911.db2.gz PGQZTFDVLXBULT-DSLXNQLJSA-N 2 1 361.486 0.298 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000515220038 490814120 /nfs/dbraw/zinc/81/41/20/490814120.db2.gz NQMNUQYIGPMKNE-QGZVFWFLSA-N 2 1 368.522 0.596 20 0 FCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000528678770 490818810 /nfs/dbraw/zinc/81/88/10/490818810.db2.gz YZSWORKBIIBNSS-HZPDHXFCSA-N 2 1 361.446 0.246 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000528678770 490818812 /nfs/dbraw/zinc/81/88/12/490818812.db2.gz YZSWORKBIIBNSS-HZPDHXFCSA-N 2 1 361.446 0.246 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000540573661 490828682 /nfs/dbraw/zinc/82/86/82/490828682.db2.gz ZFONMPPYVTZEAW-MRXNPFEDSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000540573661 490828685 /nfs/dbraw/zinc/82/86/85/490828685.db2.gz ZFONMPPYVTZEAW-MRXNPFEDSA-N 2 1 351.495 0.490 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540573661 490828688 /nfs/dbraw/zinc/82/86/88/490828688.db2.gz ZFONMPPYVTZEAW-MRXNPFEDSA-N 2 1 351.495 0.490 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000515498643 490829321 /nfs/dbraw/zinc/82/93/21/490829321.db2.gz AEGQXLCOPCQNHN-CZUORRHYSA-N 2 1 356.426 0.307 20 0 FCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](C)C1 ZINC000557193855 491358798 /nfs/dbraw/zinc/35/87/98/491358798.db2.gz SAIOFCULGLVUHV-IKGGRYGDSA-N 3 1 355.527 0.408 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515673284 490835162 /nfs/dbraw/zinc/83/51/62/490835162.db2.gz SWRNKXRCKRQUGH-OAGGEKHMSA-N 2 1 351.495 0.450 20 0 FCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515673286 490835976 /nfs/dbraw/zinc/83/59/76/490835976.db2.gz SWRNKXRCKRQUGH-PMPSAXMXSA-N 2 1 351.495 0.450 20 0 FCADMP [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000515855650 490841027 /nfs/dbraw/zinc/84/10/27/490841027.db2.gz JOFFDOGTGGTDJF-GOSISDBHSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000540965235 490842911 /nfs/dbraw/zinc/84/29/11/490842911.db2.gz QEDUESPIVWBSME-OAHLLOKOSA-N 2 1 365.522 0.879 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000529294470 490848272 /nfs/dbraw/zinc/84/82/72/490848272.db2.gz VZGTVZZXURVHTA-INIZCTEOSA-N 2 1 353.511 0.616 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529330227 490853511 /nfs/dbraw/zinc/85/35/11/490853511.db2.gz KQLNZHLXFAGEBQ-HNNXBMFYSA-N 2 1 352.479 0.452 20 0 FCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000516768502 490877239 /nfs/dbraw/zinc/87/72/39/490877239.db2.gz WQWFEZPCWGUWBO-UHFFFAOYSA-N 2 1 364.494 0.694 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784429 490878137 /nfs/dbraw/zinc/87/81/37/490878137.db2.gz QHIIFAGOYMACOL-CVEARBPZSA-N 2 1 374.489 0.391 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000516784429 490878138 /nfs/dbraw/zinc/87/81/38/490878138.db2.gz QHIIFAGOYMACOL-CVEARBPZSA-N 2 1 374.489 0.391 20 0 FCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000516857399 490881057 /nfs/dbraw/zinc/88/10/57/490881057.db2.gz GPCJNYSORMSXGF-HXUWFJFHSA-N 2 1 356.470 0.589 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCNC(=O)[C@@H]3C)CC2)CC1 ZINC000516876912 490882940 /nfs/dbraw/zinc/88/29/40/490882940.db2.gz LHLDODQFMMMORR-HNNXBMFYSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000542196600 490888833 /nfs/dbraw/zinc/88/88/33/490888833.db2.gz MWXYBBBFKOZVLU-NZSAHSFTSA-N 2 1 361.486 0.706 20 0 FCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NCC1CC[NH2+]CC1 ZINC000517020126 490890986 /nfs/dbraw/zinc/89/09/86/490890986.db2.gz JQUMMRJNSDRDKB-LJQANCHMSA-N 2 1 372.513 0.783 20 0 FCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517341407 490904790 /nfs/dbraw/zinc/90/47/90/490904790.db2.gz LXENKAVQLQMOLP-QGZVFWFLSA-N 2 1 367.538 0.567 20 0 FCADMP C[C@H]1CN(C)CCN1C(=O)CCSCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000517555842 490911339 /nfs/dbraw/zinc/91/13/39/490911339.db2.gz DXGISVWPZQHOFO-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@H]1CN(C)CCN1C(=O)CCSCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000517555842 490911341 /nfs/dbraw/zinc/91/13/41/490911341.db2.gz DXGISVWPZQHOFO-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@H]1C[NH+](C)CCN1C(=O)CCSCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000517555842 490911344 /nfs/dbraw/zinc/91/13/44/490911344.db2.gz DXGISVWPZQHOFO-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP C[C@H]1C[NH+](C)CCN1C(=O)CCSCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000517555842 490911345 /nfs/dbraw/zinc/91/13/45/490911345.db2.gz DXGISVWPZQHOFO-HOTGVXAUSA-N 2 1 370.563 0.825 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000517703893 490917001 /nfs/dbraw/zinc/91/70/01/490917001.db2.gz VLIRTWVLKUAKMK-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000517703893 490917002 /nfs/dbraw/zinc/91/70/02/490917002.db2.gz VLIRTWVLKUAKMK-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703893 490917003 /nfs/dbraw/zinc/91/70/03/490917003.db2.gz VLIRTWVLKUAKMK-DLBZAZTESA-N 2 1 365.522 0.666 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000517703897 490917285 /nfs/dbraw/zinc/91/72/85/490917285.db2.gz VLIRTWVLKUAKMK-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000517703897 490917288 /nfs/dbraw/zinc/91/72/88/490917288.db2.gz VLIRTWVLKUAKMK-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703897 490917291 /nfs/dbraw/zinc/91/72/91/490917291.db2.gz VLIRTWVLKUAKMK-IRXDYDNUSA-N 2 1 365.522 0.666 20 0 FCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966321 490926809 /nfs/dbraw/zinc/92/68/09/490926809.db2.gz VXZGMGHKEJAHLC-ZWKOTPCHSA-N 2 1 371.485 0.388 20 0 FCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000518290139 490935920 /nfs/dbraw/zinc/93/59/20/490935920.db2.gz BBLXNBBNGOQTCY-INIZCTEOSA-N 2 1 367.538 0.959 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531054879 490938394 /nfs/dbraw/zinc/93/83/94/490938394.db2.gz XFQKTRZHEQWUNN-PXNSSMCTSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531054879 490938396 /nfs/dbraw/zinc/93/83/96/490938396.db2.gz XFQKTRZHEQWUNN-PXNSSMCTSA-N 2 1 374.485 0.079 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531054879 490938398 /nfs/dbraw/zinc/93/83/98/490938398.db2.gz XFQKTRZHEQWUNN-PXNSSMCTSA-N 2 1 374.485 0.079 20 0 FCADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394765 490939306 /nfs/dbraw/zinc/93/93/06/490939306.db2.gz YMOWPZXCTIVNSZ-MSOLQXFVSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394765 490939307 /nfs/dbraw/zinc/93/93/07/490939307.db2.gz YMOWPZXCTIVNSZ-MSOLQXFVSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394765 490939309 /nfs/dbraw/zinc/93/93/09/490939309.db2.gz YMOWPZXCTIVNSZ-MSOLQXFVSA-N 2 1 350.507 0.779 20 0 FCADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CCNC3=O)C2)CC1 ZINC000518394765 490939310 /nfs/dbraw/zinc/93/93/10/490939310.db2.gz YMOWPZXCTIVNSZ-MSOLQXFVSA-N 2 1 350.507 0.779 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000531300400 490951438 /nfs/dbraw/zinc/95/14/38/490951438.db2.gz AMJXUWWZSOUDHJ-UHFFFAOYSA-N 2 1 352.523 0.585 20 0 FCADMP CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000518979215 490957252 /nfs/dbraw/zinc/95/72/52/490957252.db2.gz CHMZPYYTBJNTKZ-IAGOWNOFSA-N 2 1 366.506 0.300 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000519226584 490965703 /nfs/dbraw/zinc/96/57/03/490965703.db2.gz PGDRDLIGXNKFQI-HUUCEWRRSA-N 2 1 364.490 0.051 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000519226584 490965705 /nfs/dbraw/zinc/96/57/05/490965705.db2.gz PGDRDLIGXNKFQI-HUUCEWRRSA-N 2 1 364.490 0.051 20 0 FCADMP C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000531681030 490970426 /nfs/dbraw/zinc/97/04/26/490970426.db2.gz RMXJISKEGJMHSX-HOTGVXAUSA-N 2 1 354.495 0.386 20 0 FCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)CC1 ZINC000531838327 490976407 /nfs/dbraw/zinc/97/64/07/490976407.db2.gz XRYTUPIMJQWHRC-ROUUACIJSA-N 2 1 366.554 0.042 20 0 FCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000553956627 491166614 /nfs/dbraw/zinc/16/66/14/491166614.db2.gz KLFQDZXNIRPZKB-HUUCEWRRSA-N 2 1 368.522 0.591 20 0 FCADMP CN(c1ccccc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000562521211 491171200 /nfs/dbraw/zinc/17/12/00/491171200.db2.gz PDDDYUKWLZDSQC-CALCHBBNSA-N 2 1 356.470 0.921 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000569706396 491183994 /nfs/dbraw/zinc/18/39/94/491183994.db2.gz NUWJQJSPIXNZQD-PMPSAXMXSA-N 2 1 352.479 0.038 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557381443 491371353 /nfs/dbraw/zinc/37/13/53/491371353.db2.gz QXZBJMMBKCCHNR-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000557381294 491371766 /nfs/dbraw/zinc/37/17/66/491371766.db2.gz IWZGBOBPAQHTOG-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000557381294 491371769 /nfs/dbraw/zinc/37/17/69/491371769.db2.gz IWZGBOBPAQHTOG-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000557381294 491371773 /nfs/dbraw/zinc/37/17/73/491371773.db2.gz IWZGBOBPAQHTOG-HOTGVXAUSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC)C[C@H]2C)CC1=O ZINC000565439908 491377064 /nfs/dbraw/zinc/37/70/64/491377064.db2.gz XIJTVIAXRIIDFI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC)C[C@H]2C)CC1=O ZINC000565439908 491377065 /nfs/dbraw/zinc/37/70/65/491377065.db2.gz XIJTVIAXRIIDFI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1=O ZINC000565439908 491377066 /nfs/dbraw/zinc/37/70/66/491377066.db2.gz XIJTVIAXRIIDFI-ZACQAIPSSA-N 2 1 350.507 0.872 20 0 FCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000572620983 491382114 /nfs/dbraw/zinc/38/21/14/491382114.db2.gz WNMOUCHNJHAEGZ-YESZJQIVSA-N 2 1 362.518 0.968 20 0 FCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000572620981 491382139 /nfs/dbraw/zinc/38/21/39/491382139.db2.gz WNMOUCHNJHAEGZ-GVDBMIGSSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c2)CCO1 ZINC000565549382 491384025 /nfs/dbraw/zinc/38/40/25/491384025.db2.gz GHYJXHRHTDJBPR-OAHLLOKOSA-N 2 1 362.474 0.331 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c2)CCO1 ZINC000565549382 491384028 /nfs/dbraw/zinc/38/40/28/491384028.db2.gz GHYJXHRHTDJBPR-OAHLLOKOSA-N 2 1 362.474 0.331 20 0 FCADMP Cc1cc(NC(=O)CC[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)no1 ZINC000565711933 491394662 /nfs/dbraw/zinc/39/46/62/491394662.db2.gz IMKOIZKYWSCOEO-CQSZACIVSA-N 2 1 351.451 0.844 20 0 FCADMP Cc1cc(NC(=O)CC[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)no1 ZINC000565711933 491394664 /nfs/dbraw/zinc/39/46/64/491394664.db2.gz IMKOIZKYWSCOEO-CQSZACIVSA-N 2 1 351.451 0.844 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1C ZINC000557748367 491396072 /nfs/dbraw/zinc/39/60/72/491396072.db2.gz JUQASJMVSYMTDZ-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000557748367 491396073 /nfs/dbraw/zinc/39/60/73/491396073.db2.gz JUQASJMVSYMTDZ-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748367 491396074 /nfs/dbraw/zinc/39/60/74/491396074.db2.gz JUQASJMVSYMTDZ-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000557748367 491396075 /nfs/dbraw/zinc/39/60/75/491396075.db2.gz JUQASJMVSYMTDZ-DOTOQJQBSA-N 2 1 350.507 0.918 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000557766266 491397249 /nfs/dbraw/zinc/39/72/49/491397249.db2.gz CADNHJDUHJBHGP-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000557766266 491397251 /nfs/dbraw/zinc/39/72/51/491397251.db2.gz CADNHJDUHJBHGP-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000557766266 491397253 /nfs/dbraw/zinc/39/72/53/491397253.db2.gz CADNHJDUHJBHGP-INIZCTEOSA-N 2 1 366.506 0.300 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000565754112 491397909 /nfs/dbraw/zinc/39/79/09/491397909.db2.gz VKLJMMNGRHGRII-QRVBRYPASA-N 2 1 356.555 0.416 20 0 FCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000668361785 493340320 /nfs/dbraw/zinc/34/03/20/493340320.db2.gz JRFCWVCAYCGQBS-LJQANCHMSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@@H](C(=O)N(CCn1ccnc1)Cc1cnn(C)c1)N1CC[NH+](C)CC1 ZINC000558042377 491410215 /nfs/dbraw/zinc/41/02/15/491410215.db2.gz OXNBRAJHPXFKGH-INIZCTEOSA-N 2 1 359.478 0.281 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000573099484 491412472 /nfs/dbraw/zinc/41/24/72/491412472.db2.gz SQBNJKYEYDZKEZ-SJORKVTESA-N 2 1 368.522 0.308 20 0 FCADMP CN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)C1=O ZINC000566137547 491420038 /nfs/dbraw/zinc/42/00/38/491420038.db2.gz YNYLROUGYRRGSD-GJZGRUSLSA-N 2 1 354.520 0.235 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000558217559 491420911 /nfs/dbraw/zinc/42/09/11/491420911.db2.gz JWEYWICOWQLZTO-HKUYNNGSSA-N 2 1 372.513 0.972 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000558217559 491420915 /nfs/dbraw/zinc/42/09/15/491420915.db2.gz JWEYWICOWQLZTO-HKUYNNGSSA-N 2 1 372.513 0.972 20 0 FCADMP COC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000566168905 491422378 /nfs/dbraw/zinc/42/23/78/491422378.db2.gz XTXYRABGRQNEHO-XLIONFOSSA-N 2 1 360.502 0.939 20 0 FCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000558359728 491427240 /nfs/dbraw/zinc/42/72/40/491427240.db2.gz ITEPIPMGFLXVPD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000558359728 491427242 /nfs/dbraw/zinc/42/72/42/491427242.db2.gz ITEPIPMGFLXVPD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000558359728 491427245 /nfs/dbraw/zinc/42/72/45/491427245.db2.gz ITEPIPMGFLXVPD-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000668373079 493342459 /nfs/dbraw/zinc/34/24/59/493342459.db2.gz YBKLACKYESBEIP-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668373079 493342461 /nfs/dbraw/zinc/34/24/61/493342461.db2.gz YBKLACKYESBEIP-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668373079 493342463 /nfs/dbraw/zinc/34/24/63/493342463.db2.gz YBKLACKYESBEIP-QZTJIDSGSA-N 2 1 358.486 0.978 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000566396677 491440786 /nfs/dbraw/zinc/44/07/86/491440786.db2.gz FDYSPMWLZIVLNH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000566396677 491440788 /nfs/dbraw/zinc/44/07/88/491440788.db2.gz FDYSPMWLZIVLNH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000566396677 491440790 /nfs/dbraw/zinc/44/07/90/491440790.db2.gz FDYSPMWLZIVLNH-HOTGVXAUSA-N 2 1 354.495 0.204 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000573578655 491442243 /nfs/dbraw/zinc/44/22/43/491442243.db2.gz FZYVDPHSMJMGIL-IAGOWNOFSA-N 2 1 359.474 0.462 20 0 FCADMP C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000573578657 491442304 /nfs/dbraw/zinc/44/23/04/491442304.db2.gz FZYVDPHSMJMGIL-SJORKVTESA-N 2 1 359.474 0.462 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000573637774 491445889 /nfs/dbraw/zinc/44/58/89/491445889.db2.gz BETWLZNIQSXNML-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000573637774 491445891 /nfs/dbraw/zinc/44/58/91/491445891.db2.gz BETWLZNIQSXNML-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000573637774 491445893 /nfs/dbraw/zinc/44/58/93/491445893.db2.gz BETWLZNIQSXNML-KRWDZBQOSA-N 2 1 368.522 0.546 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496659 491448964 /nfs/dbraw/zinc/44/89/64/491448964.db2.gz SVBWJLNCKSTAKR-KURKYZTESA-N 2 1 374.460 0.951 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CCN2C1=O ZINC000566496659 491448965 /nfs/dbraw/zinc/44/89/65/491448965.db2.gz SVBWJLNCKSTAKR-KURKYZTESA-N 2 1 374.460 0.951 20 0 FCADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983281 491450424 /nfs/dbraw/zinc/45/04/24/491450424.db2.gz FHSSJHLCZRMRDQ-ULQDDVLXSA-N 2 1 365.522 0.522 20 0 FCADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000558983281 491450427 /nfs/dbraw/zinc/45/04/27/491450427.db2.gz FHSSJHLCZRMRDQ-ULQDDVLXSA-N 2 1 365.522 0.522 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785529 491454731 /nfs/dbraw/zinc/45/47/31/491454731.db2.gz CAPVCXANJWZWTM-SJLPKXTDSA-N 2 1 364.490 0.811 20 0 FCADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785529 491454733 /nfs/dbraw/zinc/45/47/33/491454733.db2.gz CAPVCXANJWZWTM-SJLPKXTDSA-N 2 1 364.490 0.811 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000573826763 491457479 /nfs/dbraw/zinc/45/74/79/491457479.db2.gz JVDILEDCYOBGPV-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000573826763 491457480 /nfs/dbraw/zinc/45/74/80/491457480.db2.gz JVDILEDCYOBGPV-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000573826763 491457482 /nfs/dbraw/zinc/45/74/82/491457482.db2.gz JVDILEDCYOBGPV-INIZCTEOSA-N 2 1 354.495 0.015 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566728278 491462685 /nfs/dbraw/zinc/46/26/85/491462685.db2.gz VHPIWHHZRUBSCW-IAGOWNOFSA-N 2 1 359.474 0.634 20 0 FCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573932096 491463688 /nfs/dbraw/zinc/46/36/88/491463688.db2.gz BWTSMMYWRJLQEQ-HZPDHXFCSA-N 2 1 368.547 0.660 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000559327546 491464739 /nfs/dbraw/zinc/46/47/39/491464739.db2.gz WXQPKDMDCKDRTA-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000559405678 491470505 /nfs/dbraw/zinc/47/05/05/491470505.db2.gz OPMUMZKEOZMLAC-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405678 491470507 /nfs/dbraw/zinc/47/05/07/491470507.db2.gz OPMUMZKEOZMLAC-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000559405678 491470509 /nfs/dbraw/zinc/47/05/09/491470509.db2.gz OPMUMZKEOZMLAC-NXHRZFHOSA-N 2 1 358.486 0.976 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000559445302 491473996 /nfs/dbraw/zinc/47/39/96/491473996.db2.gz DCZSVFRWSAQIDC-IRXDYDNUSA-N 2 1 350.507 0.777 20 0 FCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000559445301 491474232 /nfs/dbraw/zinc/47/42/32/491474232.db2.gz DCZSVFRWSAQIDC-IAGOWNOFSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000574099719 491474547 /nfs/dbraw/zinc/47/45/47/491474547.db2.gz HCQYCWGUZOCBSH-DLBZAZTESA-N 2 1 350.507 0.953 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000566987474 491479802 /nfs/dbraw/zinc/47/98/02/491479802.db2.gz YBBZJRSDKAQEHY-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000566987474 491479804 /nfs/dbraw/zinc/47/98/04/491479804.db2.gz YBBZJRSDKAQEHY-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000566987474 491479806 /nfs/dbraw/zinc/47/98/06/491479806.db2.gz YBBZJRSDKAQEHY-BBWFWOEESA-N 2 1 366.506 0.012 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[N@@H+]1CCOC ZINC000567113724 491486975 /nfs/dbraw/zinc/48/69/75/491486975.db2.gz NCOKJRHIGKGZRE-OAHLLOKOSA-N 2 1 352.483 0.590 20 0 FCADMP CCC[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)CC[N@H+]1CCOC ZINC000567113724 491486979 /nfs/dbraw/zinc/48/69/79/491486979.db2.gz NCOKJRHIGKGZRE-OAHLLOKOSA-N 2 1 352.483 0.590 20 0 FCADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000574392388 491492863 /nfs/dbraw/zinc/49/28/63/491492863.db2.gz UKTHJQJBQNWWOL-UHFFFAOYSA-N 2 1 358.486 0.931 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000559745355 491495141 /nfs/dbraw/zinc/49/51/41/491495141.db2.gz NCFMSUWIMAISSK-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000559745355 491495142 /nfs/dbraw/zinc/49/51/42/491495142.db2.gz NCFMSUWIMAISSK-INIZCTEOSA-N 2 1 368.522 0.138 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000567334730 491500204 /nfs/dbraw/zinc/50/02/04/491500204.db2.gz IBPGRFQKRKAZSM-IBGZPJMESA-N 2 1 372.513 0.830 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000559834737 491503790 /nfs/dbraw/zinc/50/37/90/491503790.db2.gz IHNCKXOUKWNPGY-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000559834737 491503792 /nfs/dbraw/zinc/50/37/92/491503792.db2.gz IHNCKXOUKWNPGY-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000559834737 491503793 /nfs/dbraw/zinc/50/37/93/491503793.db2.gz IHNCKXOUKWNPGY-UHFFFAOYSA-N 2 1 367.538 0.073 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559864285 491506213 /nfs/dbraw/zinc/50/62/13/491506213.db2.gz HVPGKAYGXVDEID-RVKKMQEKSA-N 2 1 368.547 0.625 20 0 FCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868906 491507000 /nfs/dbraw/zinc/50/70/00/491507000.db2.gz YDYDMRDURGHKFN-CKEIUWERSA-N 2 1 356.536 0.339 20 0 FCADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567481336 491508906 /nfs/dbraw/zinc/50/89/06/491508906.db2.gz OQXRUJPURQOZHX-IXDOHACOSA-N 2 1 374.485 0.311 20 0 FCADMP COC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496286 491510031 /nfs/dbraw/zinc/51/00/31/491510031.db2.gz VAXMFPCUGPYXJD-OXJNMPFZSA-N 2 1 374.485 0.949 20 0 FCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560021426 491515663 /nfs/dbraw/zinc/51/56/63/491515663.db2.gz AFDNCNNAWCTCLW-DLBZAZTESA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000567654858 491520817 /nfs/dbraw/zinc/52/08/17/491520817.db2.gz ZOSWEYDYZSWVRD-KKBVYLPWSA-N 2 1 351.472 0.576 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000574802238 491521060 /nfs/dbraw/zinc/52/10/60/491521060.db2.gz GSWWMGRSAHALHR-OTWHNJEPSA-N 2 1 370.497 0.440 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000574802238 491521061 /nfs/dbraw/zinc/52/10/61/491521061.db2.gz GSWWMGRSAHALHR-OTWHNJEPSA-N 2 1 370.497 0.440 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574868563 491524716 /nfs/dbraw/zinc/52/47/16/491524716.db2.gz BSJDARANXJNLCJ-MRXNPFEDSA-N 2 1 350.507 0.921 20 0 FCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567735714 491525960 /nfs/dbraw/zinc/52/59/60/491525960.db2.gz QREKHGNARIOBHR-BZSNNMDCSA-N 2 1 358.486 0.950 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754803 491527433 /nfs/dbraw/zinc/52/74/33/491527433.db2.gz SHKWRLLVQKURMR-QZTJIDSGSA-N 2 1 360.502 0.861 20 0 FCADMP C[NH+]1CCN(c2nc3ccccc3nc2N2CCC([NH2+]CCO)CC2)CC1 ZINC000574949238 491529884 /nfs/dbraw/zinc/52/98/84/491529884.db2.gz PWYFPGXGCDZARW-UHFFFAOYSA-N 2 1 370.501 0.932 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583402 493348727 /nfs/dbraw/zinc/34/87/27/493348727.db2.gz LDVDVPTZSDSFGR-DLBZAZTESA-N 2 1 368.522 0.329 20 0 FCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCCCC2)nc1 ZINC000567990404 491545629 /nfs/dbraw/zinc/54/56/29/491545629.db2.gz ZWRLIULBYXVWRO-SFHVURJKSA-N 2 1 372.517 0.990 20 0 FCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCCCC2)nc1 ZINC000567990404 491545631 /nfs/dbraw/zinc/54/56/31/491545631.db2.gz ZWRLIULBYXVWRO-SFHVURJKSA-N 2 1 372.517 0.990 20 0 FCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000567994156 491545683 /nfs/dbraw/zinc/54/56/83/491545683.db2.gz FBLGKGSSGABSQF-INIZCTEOSA-N 2 1 352.523 0.366 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CC2 ZINC000568038669 491549666 /nfs/dbraw/zinc/54/96/66/491549666.db2.gz IBLGUIKOXBSCQK-MGNMYUMUSA-N 2 1 373.501 0.954 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CC2 ZINC000568038669 491549667 /nfs/dbraw/zinc/54/96/67/491549667.db2.gz IBLGUIKOXBSCQK-MGNMYUMUSA-N 2 1 373.501 0.954 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000560656282 491549875 /nfs/dbraw/zinc/54/98/75/491549875.db2.gz XOZORKJAGIYELH-OAHLLOKOSA-N 2 1 357.458 0.392 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000560656282 491549878 /nfs/dbraw/zinc/54/98/78/491549878.db2.gz XOZORKJAGIYELH-OAHLLOKOSA-N 2 1 357.458 0.392 20 0 FCADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000575401079 491552202 /nfs/dbraw/zinc/55/22/02/491552202.db2.gz GMZDCDPVMFDNPA-GOSISDBHSA-N 2 1 356.470 0.625 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000560793820 491558142 /nfs/dbraw/zinc/55/81/42/491558142.db2.gz QNFGODVCKSHSQI-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000560793820 491558143 /nfs/dbraw/zinc/55/81/43/491558143.db2.gz QNFGODVCKSHSQI-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000560793820 491558146 /nfs/dbraw/zinc/55/81/46/491558146.db2.gz QNFGODVCKSHSQI-IAGOWNOFSA-N 2 1 367.538 0.119 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199845 491558736 /nfs/dbraw/zinc/55/87/36/491558736.db2.gz JUWYQTBSCMJCBC-ICSRJNTNSA-N 2 1 361.486 0.708 20 0 FCADMP C[C@](O)(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000568199845 491558738 /nfs/dbraw/zinc/55/87/38/491558738.db2.gz JUWYQTBSCMJCBC-ICSRJNTNSA-N 2 1 361.486 0.708 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000560882970 491561458 /nfs/dbraw/zinc/56/14/58/491561458.db2.gz IHIXRKWUAQEGLR-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000575820485 491563024 /nfs/dbraw/zinc/56/30/24/491563024.db2.gz BVGVZORJGOYAEZ-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820485 491563027 /nfs/dbraw/zinc/56/30/27/491563027.db2.gz BVGVZORJGOYAEZ-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820485 491563030 /nfs/dbraw/zinc/56/30/30/491563030.db2.gz BVGVZORJGOYAEZ-ZACQAIPSSA-N 2 1 366.506 0.347 20 0 FCADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000560899325 491563641 /nfs/dbraw/zinc/56/36/41/491563641.db2.gz NOGZAUWMQZGCHR-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000560899325 491563643 /nfs/dbraw/zinc/56/36/43/491563643.db2.gz NOGZAUWMQZGCHR-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000560899325 491563646 /nfs/dbraw/zinc/56/36/46/491563646.db2.gz NOGZAUWMQZGCHR-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000560899325 491563648 /nfs/dbraw/zinc/56/36/48/491563648.db2.gz NOGZAUWMQZGCHR-OAHLLOKOSA-N 2 1 356.511 0.138 20 0 FCADMP CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000575898644 491568573 /nfs/dbraw/zinc/56/85/73/491568573.db2.gz SDAKYQWAPGVSDK-MRXNPFEDSA-N 3 1 353.511 0.306 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000561012607 491570304 /nfs/dbraw/zinc/57/03/04/491570304.db2.gz LDLSEMUUINOAGW-GJZGRUSLSA-N 2 1 354.495 0.202 20 0 FCADMP Cc1ncc2n1C[C@H](C(=O)NC1CCN([C@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928120 491570649 /nfs/dbraw/zinc/57/06/49/491570649.db2.gz BFRXLSXKDCFNHY-PBHICJAKSA-N 2 1 359.474 0.565 20 0 FCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577112544 491591545 /nfs/dbraw/zinc/59/15/45/491591545.db2.gz XZOHJVPFOXYQAP-LUKYLMHMSA-N 2 1 367.538 0.245 20 0 FCADMP COC[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000577175346 491598084 /nfs/dbraw/zinc/59/80/84/491598084.db2.gz SCEKOOOYDIBNNN-HXUWFJFHSA-N 2 1 374.485 0.073 20 0 FCADMP CO[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000584532651 491601208 /nfs/dbraw/zinc/60/12/08/491601208.db2.gz AHHZPZVERSGMDJ-RTBURBONSA-N 2 1 360.502 0.769 20 0 FCADMP CO[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000584532648 491601420 /nfs/dbraw/zinc/60/14/20/491601420.db2.gz AHHZPZVERSGMDJ-MOPGFXCFSA-N 2 1 360.502 0.769 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540965 491602211 /nfs/dbraw/zinc/60/22/11/491602211.db2.gz RHKSVBJRSKQGDG-CGTJXYLNSA-N 2 1 374.460 0.808 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540966 491602539 /nfs/dbraw/zinc/60/25/39/491602539.db2.gz RHKSVBJRSKQGDG-KBAYOESNSA-N 2 1 374.460 0.808 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000568729020 491604334 /nfs/dbraw/zinc/60/43/34/491604334.db2.gz RRQHCRNWGQAVQL-NVXWUHKLSA-N 2 1 374.485 0.721 20 0 FCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000568729020 491604335 /nfs/dbraw/zinc/60/43/35/491604335.db2.gz RRQHCRNWGQAVQL-NVXWUHKLSA-N 2 1 374.485 0.721 20 0 FCADMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000576490936 491619478 /nfs/dbraw/zinc/61/94/78/491619478.db2.gz AGJOMMHDTYHCOO-OAHLLOKOSA-N 2 1 350.463 0.847 20 0 FCADMP CCC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000576520694 491621581 /nfs/dbraw/zinc/62/15/81/491621581.db2.gz NPHKQYLUTUFPNO-INIZCTEOSA-N 2 1 367.538 0.071 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522582 491622071 /nfs/dbraw/zinc/62/20/71/491622071.db2.gz SVEMMTZOFNDIIA-FUHIMQAGSA-N 2 1 374.485 0.999 20 0 FCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522582 491622073 /nfs/dbraw/zinc/62/20/73/491622073.db2.gz SVEMMTZOFNDIIA-FUHIMQAGSA-N 2 1 374.485 0.999 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000576538049 491623296 /nfs/dbraw/zinc/62/32/96/491623296.db2.gz ZITBXRBMZJLTSP-IRXDYDNUSA-N 2 1 366.506 0.158 20 0 FCADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594368 491628103 /nfs/dbraw/zinc/62/81/03/491628103.db2.gz UONFWZCZYGYZAL-IBGZPJMESA-N 2 1 356.555 0.416 20 0 FCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000569094991 491633000 /nfs/dbraw/zinc/63/30/00/491633000.db2.gz IDJKPEZGVHNRMF-GVDBMIGSSA-N 2 1 364.494 0.213 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000576654476 491633464 /nfs/dbraw/zinc/63/34/64/491633464.db2.gz NPWXRPJRDBTDON-SQNIBIBYSA-N 2 1 362.518 0.920 20 0 FCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000569121381 491635671 /nfs/dbraw/zinc/63/56/71/491635671.db2.gz FSWXDYCDQZHHCW-YDHLFZDLSA-N 2 1 350.463 0.656 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576687487 491635958 /nfs/dbraw/zinc/63/59/58/491635958.db2.gz HFPDFLIITRCHQI-JQHSSLGASA-N 2 1 362.474 0.645 20 0 FCADMP C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576687487 491635961 /nfs/dbraw/zinc/63/59/61/491635961.db2.gz HFPDFLIITRCHQI-JQHSSLGASA-N 2 1 362.474 0.645 20 0 FCADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000576720315 491639354 /nfs/dbraw/zinc/63/93/54/491639354.db2.gz VHGRNTMZUDFNNO-MRXNPFEDSA-N 2 1 361.490 0.991 20 0 FCADMP C[C@H]1C[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000576729938 491640183 /nfs/dbraw/zinc/64/01/83/491640183.db2.gz MYLKIZYDBZKTRM-DOTOQJQBSA-N 2 1 359.474 0.380 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766882 491642931 /nfs/dbraw/zinc/64/29/31/491642931.db2.gz ZOGUTGWLXZQYMQ-RBUKOAKNSA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766882 491642934 /nfs/dbraw/zinc/64/29/34/491642934.db2.gz ZOGUTGWLXZQYMQ-RBUKOAKNSA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766882 491642937 /nfs/dbraw/zinc/64/29/37/491642937.db2.gz ZOGUTGWLXZQYMQ-RBUKOAKNSA-N 2 1 354.539 0.565 20 0 FCADMP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000577692725 491643150 /nfs/dbraw/zinc/64/31/50/491643150.db2.gz NJZSAIHMHCFFHG-GOSISDBHSA-N 2 1 366.506 0.335 20 0 FCADMP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000577692725 491643153 /nfs/dbraw/zinc/64/31/53/491643153.db2.gz NJZSAIHMHCFFHG-GOSISDBHSA-N 2 1 366.506 0.335 20 0 FCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000576766883 491643235 /nfs/dbraw/zinc/64/32/35/491643235.db2.gz ZOGUTGWLXZQYMQ-RTBURBONSA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766883 491643239 /nfs/dbraw/zinc/64/32/39/491643239.db2.gz ZOGUTGWLXZQYMQ-RTBURBONSA-N 2 1 354.539 0.565 20 0 FCADMP CC[NH+](C)C[C@@H](O)CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000576766883 491643241 /nfs/dbraw/zinc/64/32/41/491643241.db2.gz ZOGUTGWLXZQYMQ-RTBURBONSA-N 2 1 354.539 0.565 20 0 FCADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000577724956 491646033 /nfs/dbraw/zinc/64/60/33/491646033.db2.gz RHLMNFYTEVPABN-IAGOWNOFSA-N 2 1 365.522 0.572 20 0 FCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000577727832 491646754 /nfs/dbraw/zinc/64/67/54/491646754.db2.gz YVDCEMQBTOXVMX-MRXNPFEDSA-N 2 1 362.474 0.957 20 0 FCADMP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000577747437 491648656 /nfs/dbraw/zinc/64/86/56/491648656.db2.gz YEHXYFJRGBXFGP-SJORKVTESA-N 2 1 366.531 0.982 20 0 FCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000576843002 491649806 /nfs/dbraw/zinc/64/98/06/491649806.db2.gz LLKHHMHRSHHBEQ-KRWDZBQOSA-N 2 1 368.522 0.452 20 0 FCADMP CO[C@H](C[NH3+])CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000576876984 491652853 /nfs/dbraw/zinc/65/28/53/491652853.db2.gz WBQROIBALWMDMF-KRWDZBQOSA-N 2 1 350.463 0.496 20 0 FCADMP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000577851222 491657003 /nfs/dbraw/zinc/65/70/03/491657003.db2.gz GGRNPOTXJCHTDF-YVSFHVDLSA-N 2 1 371.547 0.732 20 0 FCADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000577851222 491657005 /nfs/dbraw/zinc/65/70/05/491657005.db2.gz GGRNPOTXJCHTDF-YVSFHVDLSA-N 2 1 371.547 0.732 20 0 FCADMP C[N@H+](C[C@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000562236890 491661542 /nfs/dbraw/zinc/66/15/42/491661542.db2.gz RBHNRHTWRMYVIX-OAHLLOKOSA-N 2 1 352.479 0.676 20 0 FCADMP C[N@@H+](C[C@H](O)C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000562236890 491661546 /nfs/dbraw/zinc/66/15/46/491661546.db2.gz RBHNRHTWRMYVIX-OAHLLOKOSA-N 2 1 352.479 0.676 20 0 FCADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000562241303 491661820 /nfs/dbraw/zinc/66/18/20/491661820.db2.gz NSPSULVCJCQANV-OAHLLOKOSA-N 2 1 355.527 0.959 20 0 FCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000562241303 491661823 /nfs/dbraw/zinc/66/18/23/491661823.db2.gz NSPSULVCJCQANV-OAHLLOKOSA-N 2 1 355.527 0.959 20 0 FCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343136 491675184 /nfs/dbraw/zinc/67/51/84/491675184.db2.gz CCNYRSVCLZMMLV-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578343136 491675185 /nfs/dbraw/zinc/67/51/85/491675185.db2.gz CCNYRSVCLZMMLV-HZPDHXFCSA-N 2 1 354.495 0.062 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 ZINC000578608307 491680647 /nfs/dbraw/zinc/68/06/47/491680647.db2.gz NEGFHNPUTYOUDP-QZTJIDSGSA-N 2 1 373.501 0.895 20 0 FCADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000578649773 491681585 /nfs/dbraw/zinc/68/15/85/491681585.db2.gz IWAXNNNYIHLDQT-MAUKXSAKSA-N 2 1 361.490 0.960 20 0 FCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000578996742 491688589 /nfs/dbraw/zinc/68/85/89/491688589.db2.gz RWRNLBJAJUMISS-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578996742 491688590 /nfs/dbraw/zinc/68/85/90/491688590.db2.gz RWRNLBJAJUMISS-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000578996742 491688591 /nfs/dbraw/zinc/68/85/91/491688591.db2.gz RWRNLBJAJUMISS-SJORKVTESA-N 2 1 368.522 0.594 20 0 FCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579212962 491693022 /nfs/dbraw/zinc/69/30/22/491693022.db2.gz CHKDZBYCJJJUPI-VYDXJSESSA-N 2 1 362.474 0.198 20 0 FCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)C[C@@H]1C ZINC000579364525 491696441 /nfs/dbraw/zinc/69/64/41/491696441.db2.gz LURBQKVNLHYJDF-LSDHHAIUSA-N 2 1 361.490 0.819 20 0 FCADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000579408013 491697383 /nfs/dbraw/zinc/69/73/83/491697383.db2.gz SSWWNHXBOHRPCK-PZJWPPBQSA-N 2 1 373.497 0.757 20 0 FCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H](OC)C[NH2+]3)C2)cc(OC)c1 ZINC000579470307 491698393 /nfs/dbraw/zinc/69/83/93/491698393.db2.gz FDBPQVAANULDPH-FHLIZLRMSA-N 2 1 363.458 0.771 20 0 FCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H](OC)C[NH2+]3)C2)cc(OC)c1 ZINC000579470307 491698394 /nfs/dbraw/zinc/69/83/94/491698394.db2.gz FDBPQVAANULDPH-FHLIZLRMSA-N 2 1 363.458 0.771 20 0 FCADMP [NH3+][C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1 ZINC000579572026 491700745 /nfs/dbraw/zinc/70/07/45/491700745.db2.gz UREDQLKPQRMFPH-KRWDZBQOSA-N 2 1 362.474 0.867 20 0 FCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)CC2 ZINC000579720632 491703869 /nfs/dbraw/zinc/70/38/69/491703869.db2.gz TYJBPWYIDJBFTQ-MRXNPFEDSA-N 2 1 361.490 0.670 20 0 FCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000579807940 491705637 /nfs/dbraw/zinc/70/56/37/491705637.db2.gz XKQGCQNNHMZPTF-QGZVFWFLSA-N 2 1 364.490 0.006 20 0 FCADMP CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000584723479 491711670 /nfs/dbraw/zinc/71/16/70/491711670.db2.gz XFHMRYSTLWPLKH-JKSUJKDBSA-N 2 1 354.495 0.204 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000584775551 491713951 /nfs/dbraw/zinc/71/39/51/491713951.db2.gz NHZARZQPIJRSND-CQSZACIVSA-N 2 1 355.866 0.833 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000584775550 491714020 /nfs/dbraw/zinc/71/40/20/491714020.db2.gz NHZARZQPIJRSND-AWEZNQCLSA-N 2 1 355.866 0.833 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000580530965 491734795 /nfs/dbraw/zinc/73/47/95/491734795.db2.gz JYCUOWBBOCOZOW-YJBOKZPZSA-N 2 1 358.486 0.976 20 0 FCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220993 491757872 /nfs/dbraw/zinc/75/78/72/491757872.db2.gz WSCWMSWTLKJVMP-HZPDHXFCSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220993 491757873 /nfs/dbraw/zinc/75/78/73/491757873.db2.gz WSCWMSWTLKJVMP-HZPDHXFCSA-N 2 1 355.527 0.959 20 0 FCADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000589220993 491757875 /nfs/dbraw/zinc/75/78/75/491757875.db2.gz WSCWMSWTLKJVMP-HZPDHXFCSA-N 2 1 355.527 0.959 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCO1 ZINC000581125319 491760422 /nfs/dbraw/zinc/76/04/22/491760422.db2.gz LQMTUNNVHXUHTQ-MRXNPFEDSA-N 2 1 352.479 0.040 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135332 491760794 /nfs/dbraw/zinc/76/07/94/491760794.db2.gz FBVJNVLYGAOXPZ-CVEARBPZSA-N 2 1 363.510 0.500 20 0 FCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000581245150 491765485 /nfs/dbraw/zinc/76/54/85/491765485.db2.gz AYKSDAWIHFYXLD-GDAAHCPNSA-N 2 1 370.497 0.773 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581300681 491767770 /nfs/dbraw/zinc/76/77/70/491767770.db2.gz LQWOIWWCPVJZGT-WBAXXEDZSA-N 2 1 374.485 0.246 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581300681 491767771 /nfs/dbraw/zinc/76/77/71/491767771.db2.gz LQWOIWWCPVJZGT-WBAXXEDZSA-N 2 1 374.485 0.246 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCC3(N4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000581425903 491772403 /nfs/dbraw/zinc/77/24/03/491772403.db2.gz SPNHXZBTPRFPDU-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)[C@@H]2C1 ZINC000581425903 491772405 /nfs/dbraw/zinc/77/24/05/491772405.db2.gz SPNHXZBTPRFPDU-DLBZAZTESA-N 2 1 366.506 0.603 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000581704854 491783200 /nfs/dbraw/zinc/78/32/00/491783200.db2.gz VFYUCJGTDSLRIV-OALUTQOASA-N 2 1 360.502 0.246 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000581716703 491783727 /nfs/dbraw/zinc/78/37/27/491783727.db2.gz QERITQCUUOAIPW-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000581716703 491783728 /nfs/dbraw/zinc/78/37/28/491783728.db2.gz QERITQCUUOAIPW-HZPDHXFCSA-N 2 1 368.522 0.281 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000581839543 491786948 /nfs/dbraw/zinc/78/69/48/491786948.db2.gz LSOGUPFFAUHFSY-SJORKVTESA-N 2 1 368.522 0.452 20 0 FCADMP O=C(NCC1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000581874581 491788239 /nfs/dbraw/zinc/78/82/39/491788239.db2.gz NSCHEKMWGZQKMR-UHFFFAOYSA-N 2 1 366.506 0.254 20 0 FCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582122841 491798753 /nfs/dbraw/zinc/79/87/53/491798753.db2.gz GOBRPKBXEBUKSA-SJORKVTESA-N 2 1 374.485 0.488 20 0 FCADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000582235457 491803512 /nfs/dbraw/zinc/80/35/12/491803512.db2.gz MIHVLKGWHXUFGM-QGZVFWFLSA-N 2 1 362.518 0.777 20 0 FCADMP CC(C)C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000582475538 491813836 /nfs/dbraw/zinc/81/38/36/491813836.db2.gz SRTZRUSFWPHFEX-ROUUACIJSA-N 2 1 367.538 0.422 20 0 FCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000582595439 491819093 /nfs/dbraw/zinc/81/90/93/491819093.db2.gz CWSZRUAWXDGENO-NPYXIHBLSA-N 2 1 365.522 0.854 20 0 FCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)cn2)CC1 ZINC000582624692 491820205 /nfs/dbraw/zinc/82/02/05/491820205.db2.gz UYZYYSSUVNSEJK-MJGOQNOKSA-N 2 1 361.490 0.638 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000582852502 491829500 /nfs/dbraw/zinc/82/95/00/491829500.db2.gz DWJQHKJFSUJETQ-HZPDHXFCSA-N 2 1 370.538 0.552 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583379824 491843588 /nfs/dbraw/zinc/84/35/88/491843588.db2.gz RXCVTJISWQAPCB-CABCVRRESA-N 2 1 353.511 0.698 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000583633852 491849012 /nfs/dbraw/zinc/84/90/12/491849012.db2.gz ZFVCTBAJZKDDRG-QGZVFWFLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000584173049 491860069 /nfs/dbraw/zinc/86/00/69/491860069.db2.gz QXZPSDIOKLVNRC-CABCVRRESA-N 2 1 362.474 0.377 20 0 FCADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC000584226072 491861087 /nfs/dbraw/zinc/86/10/87/491861087.db2.gz HMMAHTCVSHWYOO-GBESFXJTSA-N 2 1 370.497 0.917 20 0 FCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000611757590 491872638 /nfs/dbraw/zinc/87/26/38/491872638.db2.gz GAZMMLHRQXFTEE-JKSUJKDBSA-N 2 1 350.507 0.990 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612443466 491918137 /nfs/dbraw/zinc/91/81/37/491918137.db2.gz GIIPZWALEQKYJZ-OAHLLOKOSA-N 2 1 368.547 0.675 20 0 FCADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612443466 491918140 /nfs/dbraw/zinc/91/81/40/491918140.db2.gz GIIPZWALEQKYJZ-OAHLLOKOSA-N 2 1 368.547 0.675 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000612542148 491930729 /nfs/dbraw/zinc/93/07/29/491930729.db2.gz GYZHYUIONZTHCH-SJORKVTESA-N 2 1 366.506 0.158 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000612548707 491933030 /nfs/dbraw/zinc/93/30/30/491933030.db2.gz QIEYXWDOWRRFOT-CVEARBPZSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598867 491937877 /nfs/dbraw/zinc/93/78/77/491937877.db2.gz KQVFWKDUSARDJI-IRXDYDNUSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598867 491937879 /nfs/dbraw/zinc/93/78/79/491937879.db2.gz KQVFWKDUSARDJI-IRXDYDNUSA-N 2 1 366.506 0.155 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612963360 491959767 /nfs/dbraw/zinc/95/97/67/491959767.db2.gz MXGKMPOQXZCOTC-INIZCTEOSA-N 2 1 365.522 0.714 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612963360 491959769 /nfs/dbraw/zinc/95/97/69/491959769.db2.gz MXGKMPOQXZCOTC-INIZCTEOSA-N 2 1 365.522 0.714 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1C ZINC000595957481 491965264 /nfs/dbraw/zinc/96/52/64/491965264.db2.gz USGGYMLSYAOMLB-RISCZKNCSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1C ZINC000595957481 491965266 /nfs/dbraw/zinc/96/52/66/491965266.db2.gz USGGYMLSYAOMLB-RISCZKNCSA-N 2 1 351.369 0.624 20 0 FCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957835 491965404 /nfs/dbraw/zinc/96/54/04/491965404.db2.gz XXUHHSRMEKUYMH-RISCZKNCSA-N 2 1 351.369 0.624 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCCN3C(=O)CCC3=O)C2)CC1 ZINC000602194321 491966833 /nfs/dbraw/zinc/96/68/33/491966833.db2.gz GTSXNQJMEBLXCH-AWEZNQCLSA-N 2 1 350.463 0.200 20 0 FCADMP COC(=O)[C@@]1(C)C[NH+](C[C@@H](O)C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929254 492006072 /nfs/dbraw/zinc/00/60/72/492006072.db2.gz MMZFIUPWVHCZFE-BZPVJVJKSA-N 2 1 370.490 0.609 20 0 FCADMP COC(=O)[C@@]1(C)C[N@H+](C[C@@H](O)C[NH+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929254 492006073 /nfs/dbraw/zinc/00/60/73/492006073.db2.gz MMZFIUPWVHCZFE-BZPVJVJKSA-N 2 1 370.490 0.609 20 0 FCADMP COC(=O)[C@@]1(C)C[N@@H+](C[C@@H](O)C[NH+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@@H]1C ZINC000602929254 492006074 /nfs/dbraw/zinc/00/60/74/492006074.db2.gz MMZFIUPWVHCZFE-BZPVJVJKSA-N 2 1 370.490 0.609 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000603657655 492039624 /nfs/dbraw/zinc/03/96/24/492039624.db2.gz VLTUOPPYIBCGGG-KRWDZBQOSA-N 2 1 359.474 0.587 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604205974 492054086 /nfs/dbraw/zinc/05/40/86/492054086.db2.gz ZGCIPZMLJVFEFZ-HNNXBMFYSA-N 2 1 351.495 0.419 20 0 FCADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)C1 ZINC000604654909 492066782 /nfs/dbraw/zinc/06/67/82/492066782.db2.gz WHHPBAVWXKGWDX-INIZCTEOSA-N 2 1 355.552 0.457 20 0 FCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)C1 ZINC000604654909 492066784 /nfs/dbraw/zinc/06/67/84/492066784.db2.gz WHHPBAVWXKGWDX-INIZCTEOSA-N 2 1 355.552 0.457 20 0 FCADMP C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)C[NH+](C)C)n[nH]1)C[NH+](C)C ZINC000615178489 492077034 /nfs/dbraw/zinc/07/70/34/492077034.db2.gz VLIQAOVNGMGDDV-BETUJISGSA-N 2 1 352.483 0.265 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000598253214 492090284 /nfs/dbraw/zinc/09/02/84/492090284.db2.gz IYEGAFTVMHNQCN-HOTGVXAUSA-N 2 1 351.495 0.465 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000598253214 492090287 /nfs/dbraw/zinc/09/02/87/492090287.db2.gz IYEGAFTVMHNQCN-HOTGVXAUSA-N 2 1 351.495 0.465 20 0 FCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606093109 492114795 /nfs/dbraw/zinc/11/47/95/492114795.db2.gz OWJRNNXPFLKDGD-UHFFFAOYSA-N 2 1 363.462 0.583 20 0 FCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000606653363 492125373 /nfs/dbraw/zinc/12/53/73/492125373.db2.gz RBBXZGUPIXBGFQ-TWMKSMIVSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000606653363 492125374 /nfs/dbraw/zinc/12/53/74/492125374.db2.gz RBBXZGUPIXBGFQ-TWMKSMIVSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000606653363 492125376 /nfs/dbraw/zinc/12/53/76/492125376.db2.gz RBBXZGUPIXBGFQ-TWMKSMIVSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000606653364 492125626 /nfs/dbraw/zinc/12/56/26/492125626.db2.gz RBBXZGUPIXBGFQ-VVLHAWIVSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000606653364 492125629 /nfs/dbraw/zinc/12/56/29/492125629.db2.gz RBBXZGUPIXBGFQ-VVLHAWIVSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000606653364 492125633 /nfs/dbraw/zinc/12/56/33/492125633.db2.gz RBBXZGUPIXBGFQ-VVLHAWIVSA-N 2 1 367.538 0.992 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665586 492126279 /nfs/dbraw/zinc/12/62/79/492126279.db2.gz HOKCZPMVXGAOSK-RDJZCZTQSA-N 2 1 367.538 0.959 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000607228415 492141024 /nfs/dbraw/zinc/14/10/24/492141024.db2.gz NMTMAWHWLGEAOG-HUUCEWRRSA-N 2 1 356.511 0.630 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4nn(C)c(=O)cc4C3)C2)CC1 ZINC000608685871 492186632 /nfs/dbraw/zinc/18/66/32/492186632.db2.gz GWZBQHZRBJFIRT-HNNXBMFYSA-N 2 1 374.489 0.017 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691436 492187457 /nfs/dbraw/zinc/18/74/57/492187457.db2.gz SRFDEBODSDIQLB-GOEBONIOSA-N 2 1 353.511 0.603 20 0 FCADMP C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000608691437 492187572 /nfs/dbraw/zinc/18/75/72/492187572.db2.gz SRFDEBODSDIQLB-HOCLYGCPSA-N 2 1 353.511 0.603 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCN2C(=O)CCC2=O)CC1 ZINC000619177092 492252238 /nfs/dbraw/zinc/25/22/38/492252238.db2.gz OIDVXHVSNXISBL-UHFFFAOYSA-N 2 1 359.430 0.701 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732331 492260161 /nfs/dbraw/zinc/26/01/61/492260161.db2.gz ANDAOSWYDITGMU-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000610732331 492260162 /nfs/dbraw/zinc/26/01/62/492260162.db2.gz ANDAOSWYDITGMU-ZWKOTPCHSA-N 2 1 367.538 0.517 20 0 FCADMP CCNC(=O)COc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647492297 492297524 /nfs/dbraw/zinc/29/75/24/492297524.db2.gz AOPVLFDHQZPFIF-UHFFFAOYSA-N 2 1 364.490 0.547 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+](C)C1CC1 ZINC000641785218 492305174 /nfs/dbraw/zinc/30/51/74/492305174.db2.gz YUMIIQGBSVMXNS-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000641785218 492305176 /nfs/dbraw/zinc/30/51/76/492305176.db2.gz YUMIIQGBSVMXNS-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000641785218 492305179 /nfs/dbraw/zinc/30/51/79/492305179.db2.gz YUMIIQGBSVMXNS-IAGOWNOFSA-N 2 1 367.538 0.565 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824228 492310372 /nfs/dbraw/zinc/31/03/72/492310372.db2.gz GQHFZZQOVVJVGH-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000641824228 492310374 /nfs/dbraw/zinc/31/03/74/492310374.db2.gz GQHFZZQOVVJVGH-HOTGVXAUSA-N 2 1 350.507 0.920 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1(C)C ZINC000641823818 492310538 /nfs/dbraw/zinc/31/05/38/492310538.db2.gz AZKYPLYSZFQSJF-GOEBONIOSA-N 2 1 362.449 0.631 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1(C)C ZINC000641825841 492311628 /nfs/dbraw/zinc/31/16/28/492311628.db2.gz XGWJLFFOBAVGPJ-CVEARBPZSA-N 2 1 366.506 0.284 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1(C)C ZINC000641825841 492311632 /nfs/dbraw/zinc/31/16/32/492311632.db2.gz XGWJLFFOBAVGPJ-CVEARBPZSA-N 2 1 366.506 0.284 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000620535928 492317551 /nfs/dbraw/zinc/31/75/51/492317551.db2.gz VKHMUBOXYPXYTI-HOTGVXAUSA-N 2 1 368.522 0.450 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627509142 492326922 /nfs/dbraw/zinc/32/69/22/492326922.db2.gz MWQZCFQMHLVXCV-UHFFFAOYSA-N 2 1 368.457 0.276 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627509142 492326925 /nfs/dbraw/zinc/32/69/25/492326925.db2.gz MWQZCFQMHLVXCV-UHFFFAOYSA-N 2 1 368.457 0.276 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655017 492334363 /nfs/dbraw/zinc/33/43/63/492334363.db2.gz BEHKZJQPKLLYIW-PNVOZDDCSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655017 492334366 /nfs/dbraw/zinc/33/43/66/492334366.db2.gz BEHKZJQPKLLYIW-PNVOZDDCSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655017 492334368 /nfs/dbraw/zinc/33/43/68/492334368.db2.gz BEHKZJQPKLLYIW-PNVOZDDCSA-N 2 1 368.522 0.771 20 0 FCADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655017 492334371 /nfs/dbraw/zinc/33/43/71/492334371.db2.gz BEHKZJQPKLLYIW-PNVOZDDCSA-N 2 1 368.522 0.771 20 0 FCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642119461 492336819 /nfs/dbraw/zinc/33/68/19/492336819.db2.gz RPCWAYJGDJTONB-OAGGEKHMSA-N 2 1 368.522 0.578 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000642190955 492340176 /nfs/dbraw/zinc/34/01/76/492340176.db2.gz WVQJYRWJEUFPNP-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642195155 492340256 /nfs/dbraw/zinc/34/02/56/492340256.db2.gz ABKGYEUHCLSXGB-FPCVCCKLSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000642253921 492345117 /nfs/dbraw/zinc/34/51/17/492345117.db2.gz QMXKHWCEJSUFNV-ZWKOTPCHSA-N 2 1 358.486 0.835 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000654736554 492345460 /nfs/dbraw/zinc/34/54/60/492345460.db2.gz AYBJMNXFMYQOIX-HOTGVXAUSA-N 2 1 351.495 0.419 20 0 FCADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706207 492347674 /nfs/dbraw/zinc/34/76/74/492347674.db2.gz FNWURBSDWJWGSP-QYZOEREBSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706207 492347680 /nfs/dbraw/zinc/34/76/80/492347680.db2.gz FNWURBSDWJWGSP-QYZOEREBSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706207 492347686 /nfs/dbraw/zinc/34/76/86/492347686.db2.gz FNWURBSDWJWGSP-QYZOEREBSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000647706207 492347689 /nfs/dbraw/zinc/34/76/89/492347689.db2.gz FNWURBSDWJWGSP-QYZOEREBSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000647706207 492347694 /nfs/dbraw/zinc/34/76/94/492347694.db2.gz FNWURBSDWJWGSP-QYZOEREBSA-N 2 1 359.470 0.555 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647708092 492349022 /nfs/dbraw/zinc/34/90/22/492349022.db2.gz IOHASEXWWSKYEG-SXLOBPIMSA-N 2 1 373.497 0.852 20 0 FCADMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647708092 492349024 /nfs/dbraw/zinc/34/90/24/492349024.db2.gz IOHASEXWWSKYEG-SXLOBPIMSA-N 2 1 373.497 0.852 20 0 FCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642321280 492350598 /nfs/dbraw/zinc/35/05/98/492350598.db2.gz UALMNZDMRJICKV-QZTJIDSGSA-N 2 1 358.486 0.965 20 0 FCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330390 492351882 /nfs/dbraw/zinc/35/18/82/492351882.db2.gz DAIVEZAVQHSNJQ-ZVDSWSACSA-N 2 1 354.495 0.044 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330389 492352082 /nfs/dbraw/zinc/35/20/82/492352082.db2.gz DAIVEZAVQHSNJQ-XFIYOXNOSA-N 2 1 354.495 0.044 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H](C)O1 ZINC000642394756 492356953 /nfs/dbraw/zinc/35/69/53/492356953.db2.gz PFKNDPOOLCIDDL-WCVJEAGWSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H](C)O1 ZINC000642394757 492357248 /nfs/dbraw/zinc/35/72/48/492357248.db2.gz PFKNDPOOLCIDDL-XUWVNRHRSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H](C)O1 ZINC000642394757 492357251 /nfs/dbraw/zinc/35/72/51/492357251.db2.gz PFKNDPOOLCIDDL-XUWVNRHRSA-N 2 1 366.506 0.201 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634707852 492361886 /nfs/dbraw/zinc/36/18/86/492361886.db2.gz MLSHDTADYDMRCF-PXNSSMCTSA-N 2 1 371.485 0.966 20 0 FCADMP COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634707852 492361889 /nfs/dbraw/zinc/36/18/89/492361889.db2.gz MLSHDTADYDMRCF-PXNSSMCTSA-N 2 1 371.485 0.966 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640625 492368142 /nfs/dbraw/zinc/36/81/42/492368142.db2.gz BXCBWDLAJOSQJP-NRSFXHEJSA-N 2 1 358.486 0.867 20 0 FCADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640626 492368367 /nfs/dbraw/zinc/36/83/67/492368367.db2.gz BXCBWDLAJOSQJP-VDHUWJSZSA-N 2 1 358.486 0.867 20 0 FCADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835165 492369096 /nfs/dbraw/zinc/36/90/96/492369096.db2.gz PFBIKQQOQLBEJI-AWEZNQCLSA-N 2 1 350.463 0.868 20 0 FCADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835165 492369101 /nfs/dbraw/zinc/36/91/01/492369101.db2.gz PFBIKQQOQLBEJI-AWEZNQCLSA-N 2 1 350.463 0.868 20 0 FCADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640737 492369169 /nfs/dbraw/zinc/36/91/69/492369169.db2.gz PTFSXPVUZWAJAL-RCCFBDPRSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000642648083 492369804 /nfs/dbraw/zinc/36/98/04/492369804.db2.gz MERNRWWDLXVEAQ-USXIJHARSA-N 2 1 366.506 0.474 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642680242 492372306 /nfs/dbraw/zinc/37/23/06/492372306.db2.gz KXPGDRSFAINFAE-SZMVWBNQSA-N 2 1 374.485 0.342 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000642693140 492374541 /nfs/dbraw/zinc/37/45/41/492374541.db2.gz XNUYJQRSNNGOIA-QAPCUYQASA-N 2 1 358.486 0.808 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000642693140 492374544 /nfs/dbraw/zinc/37/45/44/492374544.db2.gz XNUYJQRSNNGOIA-QAPCUYQASA-N 2 1 358.486 0.808 20 0 FCADMP O=C(NC[C@@H]1CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905665 492380747 /nfs/dbraw/zinc/38/07/47/492380747.db2.gz LLPAOFIXBGDPKV-FJIDUMEYSA-N 2 1 350.507 0.430 20 0 FCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000647909263 492381818 /nfs/dbraw/zinc/38/18/18/492381818.db2.gz ZXAXBPGGVWFXIQ-UHFFFAOYSA-N 2 1 355.504 0.790 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000642743888 492383563 /nfs/dbraw/zinc/38/35/63/492383563.db2.gz BLTVWCDVHZDWEK-AWEZNQCLSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000642743888 492383567 /nfs/dbraw/zinc/38/35/67/492383567.db2.gz BLTVWCDVHZDWEK-AWEZNQCLSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000642743889 492383633 /nfs/dbraw/zinc/38/36/33/492383633.db2.gz BLTVWCDVHZDWEK-CQSZACIVSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000642743889 492383637 /nfs/dbraw/zinc/38/36/37/492383637.db2.gz BLTVWCDVHZDWEK-CQSZACIVSA-N 2 1 358.442 0.991 20 0 FCADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642750872 492384575 /nfs/dbraw/zinc/38/45/75/492384575.db2.gz HDXFYEBYGVEPOY-TWMKSMIVSA-N 2 1 368.522 0.435 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1C[NH+](C2CCCCC2)C1 ZINC000654980194 492388589 /nfs/dbraw/zinc/38/85/89/492388589.db2.gz AHPACNLAKKGZKD-SFHVURJKSA-N 2 1 364.534 0.774 20 0 FCADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975579 492389526 /nfs/dbraw/zinc/38/95/26/492389526.db2.gz CEBPFFZVDNMOCR-NCOADZHNSA-N 2 1 350.507 0.810 20 0 FCADMP O=C(C[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000621641712 492399100 /nfs/dbraw/zinc/39/91/00/492399100.db2.gz UBLYQWOOWWDWNH-KRWDZBQOSA-N 2 1 350.507 0.923 20 0 FCADMP O=C(C[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000621641712 492399101 /nfs/dbraw/zinc/39/91/01/492399101.db2.gz UBLYQWOOWWDWNH-KRWDZBQOSA-N 2 1 350.507 0.923 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000642903356 492400304 /nfs/dbraw/zinc/40/03/04/492400304.db2.gz HXFAGIZTNQRSLY-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000642903356 492400305 /nfs/dbraw/zinc/40/03/05/492400305.db2.gz HXFAGIZTNQRSLY-HZPDHXFCSA-N 2 1 354.495 0.204 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919011 492403699 /nfs/dbraw/zinc/40/36/99/492403699.db2.gz KWMZKSHDXZHUIW-MRXNPFEDSA-N 2 1 358.486 0.978 20 0 FCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918831 492403957 /nfs/dbraw/zinc/40/39/57/492403957.db2.gz DQMOCRQXPLUUNG-HOTGVXAUSA-N 2 1 358.486 0.976 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918831 492403962 /nfs/dbraw/zinc/40/39/62/492403962.db2.gz DQMOCRQXPLUUNG-HOTGVXAUSA-N 2 1 358.486 0.976 20 0 FCADMP CCN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642918814 492404168 /nfs/dbraw/zinc/40/41/68/492404168.db2.gz DAPBKGARDULKKZ-SFHVURJKSA-N 2 1 358.486 0.978 20 0 FCADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC000621699674 492405448 /nfs/dbraw/zinc/40/54/48/492405448.db2.gz AJJVCTGUEAWTAP-FCEWJHQRSA-N 2 1 364.490 0.040 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958472 492406462 /nfs/dbraw/zinc/40/64/62/492406462.db2.gz AJJZJGUHOZZFOA-GOEBONIOSA-N 2 1 366.506 0.693 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000643014560 492414132 /nfs/dbraw/zinc/41/41/32/492414132.db2.gz FVPVWZQOFYMXKD-BRWVUGGUSA-N 2 1 371.485 0.543 20 0 FCADMP CCCn1c(N)c(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(=O)[nH]c1=O ZINC000643061207 492417109 /nfs/dbraw/zinc/41/71/09/492417109.db2.gz NZYONNHDQHUXTL-CYBMUJFWSA-N 2 1 363.462 0.588 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)CCC(F)(F)F ZINC000621841308 492422965 /nfs/dbraw/zinc/42/29/65/492422965.db2.gz UAJRZIKOEHFLPL-WFASDCNBSA-N 2 1 364.412 0.717 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)CCC(F)(F)F ZINC000621841308 492422967 /nfs/dbraw/zinc/42/29/67/492422967.db2.gz UAJRZIKOEHFLPL-WFASDCNBSA-N 2 1 364.412 0.717 20 0 FCADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627933209 492423345 /nfs/dbraw/zinc/42/33/45/492423345.db2.gz OASDBIARCLEPEF-QLOJAFMTSA-N 2 1 359.470 0.603 20 0 FCADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627933209 492423349 /nfs/dbraw/zinc/42/33/49/492423349.db2.gz OASDBIARCLEPEF-QLOJAFMTSA-N 2 1 359.470 0.603 20 0 FCADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000621843242 492423893 /nfs/dbraw/zinc/42/38/93/492423893.db2.gz BIFGTUADUIPDFU-OPYAIIAOSA-N 2 1 370.497 0.965 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccsc1 ZINC000621844556 492425559 /nfs/dbraw/zinc/42/55/59/492425559.db2.gz TVJCLJRYFFGARU-CPUCHLNUSA-N 2 1 350.488 0.807 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000627980649 492431935 /nfs/dbraw/zinc/43/19/35/492431935.db2.gz SPJIIOBPGXBIQD-GOSISDBHSA-N 2 1 374.485 0.446 20 0 FCADMP CC[NH+](CC)CCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000643222269 492432663 /nfs/dbraw/zinc/43/26/63/492432663.db2.gz IZJAZGJKNBICID-UHFFFAOYSA-N 2 1 367.538 0.914 20 0 FCADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000627983717 492433862 /nfs/dbraw/zinc/43/38/62/492433862.db2.gz DYDYXGCYBADZTL-ZWKOTPCHSA-N 2 1 358.486 0.564 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028517 492443378 /nfs/dbraw/zinc/44/33/78/492443378.db2.gz RHKKFJUWRCPXHN-VCBZYWHSSA-N 2 1 364.490 0.038 20 0 FCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449723 492444272 /nfs/dbraw/zinc/44/42/72/492444272.db2.gz MWNVMFPWZWQQSV-QFBILLFUSA-N 2 1 358.490 0.495 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC000635419035 492446257 /nfs/dbraw/zinc/44/62/57/492446257.db2.gz NHAUPKIFZZIAIK-OAHLLOKOSA-N 2 1 350.467 0.182 20 0 FCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC000635419035 492446260 /nfs/dbraw/zinc/44/62/60/492446260.db2.gz NHAUPKIFZZIAIK-OAHLLOKOSA-N 2 1 350.467 0.182 20 0 FCADMP C[NH+](C)CC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000635473768 492454775 /nfs/dbraw/zinc/45/47/75/492454775.db2.gz VDYQZTSBLIQDQE-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551876 492455066 /nfs/dbraw/zinc/45/50/66/492455066.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551876 492455072 /nfs/dbraw/zinc/45/50/72/492455072.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 2 1 367.538 0.301 20 0 FCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551876 492455074 /nfs/dbraw/zinc/45/50/74/492455074.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551876 492455080 /nfs/dbraw/zinc/45/50/80/492455080.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 2 1 367.538 0.301 20 0 FCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551876 492455083 /nfs/dbraw/zinc/45/50/83/492455083.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 2 1 367.538 0.301 20 0 FCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000655557282 492456960 /nfs/dbraw/zinc/45/69/60/492456960.db2.gz WATKJMWJWUXDKA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000655557282 492456966 /nfs/dbraw/zinc/45/69/66/492456966.db2.gz WATKJMWJWUXDKA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000655557282 492456968 /nfs/dbraw/zinc/45/69/68/492456968.db2.gz WATKJMWJWUXDKA-SJORKVTESA-N 2 1 353.511 0.129 20 0 FCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000643480974 492476800 /nfs/dbraw/zinc/47/68/00/492476800.db2.gz HROIPZAXWGGNTI-FUHWJXTLSA-N 2 1 374.485 0.296 20 0 FCADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc2c(c1)OCO2 ZINC000655707669 492477711 /nfs/dbraw/zinc/47/77/11/492477711.db2.gz YPOYVUPFOSDGBW-HOTGVXAUSA-N 2 1 364.442 0.998 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000643484584 492477850 /nfs/dbraw/zinc/47/78/50/492477850.db2.gz DFUPXQIGXQASBD-SJLPKXTDSA-N 2 1 358.486 0.835 20 0 FCADMP O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000643490697 492480004 /nfs/dbraw/zinc/48/00/04/492480004.db2.gz IXGYRQXDFOALMB-QZTJIDSGSA-N 2 1 362.518 0.779 20 0 FCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@@H+](C)CC(C)(C)C)cn1 ZINC000635606942 492480234 /nfs/dbraw/zinc/48/02/34/492480234.db2.gz XBDNTFMFTUCXLN-UHFFFAOYSA-N 2 1 352.483 0.477 20 0 FCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000643500567 492483672 /nfs/dbraw/zinc/48/36/72/492483672.db2.gz CDVDLVBYGGHLJP-JYJNAYRXSA-N 2 1 350.507 0.905 20 0 FCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643513588 492486615 /nfs/dbraw/zinc/48/66/15/492486615.db2.gz QYJMDCQGHGEYGW-IAGOWNOFSA-N 2 1 367.538 0.057 20 0 FCADMP O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000643515642 492487580 /nfs/dbraw/zinc/48/75/80/492487580.db2.gz ADYHTLPHZGCSOM-IAGOWNOFSA-N 2 1 362.518 0.921 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000643531751 492491280 /nfs/dbraw/zinc/49/12/80/492491280.db2.gz FSFIBHXYSZALNS-ROUUACIJSA-N 2 1 374.485 0.296 20 0 FCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643527869 492491375 /nfs/dbraw/zinc/49/13/75/492491375.db2.gz UJFDHTHALMTLQU-WBVHZDCISA-N 2 1 372.469 0.970 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000643531882 492491975 /nfs/dbraw/zinc/49/19/75/492491975.db2.gz RFVJRLFMBOEXJA-YLJYHZDGSA-N 2 1 358.486 0.917 20 0 FCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)[C@H]2C1 ZINC000643550012 492497880 /nfs/dbraw/zinc/49/78/80/492497880.db2.gz TVHDYUSKJFNZSN-RNJTYBCJSA-N 2 1 374.460 0.631 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643577397 492500072 /nfs/dbraw/zinc/50/00/72/492500072.db2.gz CAYJUZYJDRSZDX-VJANTYMQSA-N 2 1 370.497 0.567 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643577397 492500074 /nfs/dbraw/zinc/50/00/74/492500074.db2.gz CAYJUZYJDRSZDX-VJANTYMQSA-N 2 1 370.497 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000643585846 492500597 /nfs/dbraw/zinc/50/05/97/492500597.db2.gz XRGIRMXWMAWWJH-SOLBZPMBSA-N 2 1 358.486 0.928 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000643585844 492500975 /nfs/dbraw/zinc/50/09/75/492500975.db2.gz XRGIRMXWMAWWJH-NUJGCVRESA-N 2 1 358.486 0.928 20 0 FCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643594552 492503788 /nfs/dbraw/zinc/50/37/88/492503788.db2.gz PLMWLNKAWYCPLC-HZPDHXFCSA-N 2 1 350.507 0.776 20 0 FCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656028576 492521344 /nfs/dbraw/zinc/52/13/44/492521344.db2.gz MPFQHMLVHYXOFO-DLBZAZTESA-N 2 1 366.506 0.476 20 0 FCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656028691 492521592 /nfs/dbraw/zinc/52/15/92/492521592.db2.gz OTGUKGLILHLKQA-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000628585262 492525766 /nfs/dbraw/zinc/52/57/66/492525766.db2.gz OILNFJGSYGRQAV-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628585262 492525769 /nfs/dbraw/zinc/52/57/69/492525769.db2.gz OILNFJGSYGRQAV-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628585262 492525773 /nfs/dbraw/zinc/52/57/73/492525773.db2.gz OILNFJGSYGRQAV-MSOLQXFVSA-N 2 1 358.486 0.965 20 0 FCADMP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000628584708 492526049 /nfs/dbraw/zinc/52/60/49/492526049.db2.gz JAQMBWLWJITTCD-WCXIOVBPSA-N 2 1 368.522 0.576 20 0 FCADMP CC(C)[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000628584708 492526053 /nfs/dbraw/zinc/52/60/53/492526053.db2.gz JAQMBWLWJITTCD-WCXIOVBPSA-N 2 1 368.522 0.576 20 0 FCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C1 ZINC000649320864 492532130 /nfs/dbraw/zinc/53/21/30/492532130.db2.gz CNMUEOFQSPJPNA-TVFCKZIOSA-N 2 1 356.470 0.751 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)CC1 ZINC000649324136 492533082 /nfs/dbraw/zinc/53/30/82/492533082.db2.gz YQOMBNVBANRULB-QGZVFWFLSA-N 2 1 366.506 0.015 20 0 FCADMP C[NH+]1CCN([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000649348995 492543123 /nfs/dbraw/zinc/54/31/23/492543123.db2.gz NKOTURJHTFQVPX-GJZGRUSLSA-N 2 1 352.504 0.389 20 0 FCADMP [NH3+][C@@H]1CCCCN(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000649351376 492544840 /nfs/dbraw/zinc/54/48/40/492544840.db2.gz ROPDYYKZBKFZLF-GOSISDBHSA-N 2 1 373.501 0.265 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000649352564 492546504 /nfs/dbraw/zinc/54/65/04/492546504.db2.gz WORNWINLWRMZMR-HXUWFJFHSA-N 2 1 373.501 0.977 20 0 FCADMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649353577 492547325 /nfs/dbraw/zinc/54/73/25/492547325.db2.gz NCFUKLCUYRHMAE-HNNXBMFYSA-N 2 1 366.893 0.814 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000649410670 492552799 /nfs/dbraw/zinc/55/27/99/492552799.db2.gz MONQKLMUMKGPHS-MJGOQNOKSA-N 2 1 360.502 0.687 20 0 FCADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000649419805 492553702 /nfs/dbraw/zinc/55/37/02/492553702.db2.gz UIBWPBHTKJFHDL-IBGZPJMESA-N 2 1 362.518 0.706 20 0 FCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000649473519 492556205 /nfs/dbraw/zinc/55/62/05/492556205.db2.gz YBKALPSYNVWEQK-MTSZKFMLSA-N 2 1 368.522 0.325 20 0 FCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623592829 492571190 /nfs/dbraw/zinc/57/11/90/492571190.db2.gz DBYMKVYYZLQZPV-INIZCTEOSA-N 2 1 367.538 0.960 20 0 FCADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1=O ZINC000636297163 492578089 /nfs/dbraw/zinc/57/80/89/492578089.db2.gz QADJSOHRQYUWIQ-GOSISDBHSA-N 2 1 373.501 0.178 20 0 FCADMP COC[C@H]1C[C@@H](O)CN1Cc1cncc(C[N@H+]2C[C@H](O)C[C@@H]2COC)c1 ZINC000649764558 492580529 /nfs/dbraw/zinc/58/05/29/492580529.db2.gz HHBHMJHNKGRDLL-NCXUSEDFSA-N 2 1 365.474 0.245 20 0 FCADMP COC[C@H]1C[C@@H](O)C[NH+]1Cc1cncc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c1 ZINC000649764558 492580541 /nfs/dbraw/zinc/58/05/41/492580541.db2.gz HHBHMJHNKGRDLL-NCXUSEDFSA-N 2 1 365.474 0.245 20 0 FCADMP Cc1cccc(N2CC[NH+](CCCCNc3nc(N)nc(N)[nH+]3)CC2)c1 ZINC000623850505 492601958 /nfs/dbraw/zinc/60/19/58/492601958.db2.gz JBNXULKLLSCVNJ-UHFFFAOYSA-N 2 1 356.478 0.441 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354731 492608862 /nfs/dbraw/zinc/60/88/62/492608862.db2.gz GRMJTXBWPJZHAY-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354731 492608865 /nfs/dbraw/zinc/60/88/65/492608865.db2.gz GRMJTXBWPJZHAY-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354731 492608867 /nfs/dbraw/zinc/60/88/67/492608867.db2.gz GRMJTXBWPJZHAY-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354731 492608869 /nfs/dbraw/zinc/60/88/69/492608869.db2.gz GRMJTXBWPJZHAY-ZACQAIPSSA-N 2 1 350.507 0.918 20 0 FCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656360637 492613215 /nfs/dbraw/zinc/61/32/15/492613215.db2.gz UTTUSZMXQYQZIY-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000656699406 492643497 /nfs/dbraw/zinc/64/34/97/492643497.db2.gz LIYVWRUKVDUTII-PXNSSMCTSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000656699406 492643498 /nfs/dbraw/zinc/64/34/98/492643498.db2.gz LIYVWRUKVDUTII-PXNSSMCTSA-N 2 1 374.485 0.884 20 0 FCADMP CC(C)[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000656699406 492643500 /nfs/dbraw/zinc/64/35/00/492643500.db2.gz LIYVWRUKVDUTII-PXNSSMCTSA-N 2 1 374.485 0.884 20 0 FCADMP CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629553315 492644428 /nfs/dbraw/zinc/64/44/28/492644428.db2.gz ILVHTTKSMWBMFD-MRXNPFEDSA-N 2 1 366.487 0.750 20 0 FCADMP O[C@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC000629558502 492644495 /nfs/dbraw/zinc/64/44/95/492644495.db2.gz BASPJUWHPVHLDH-GOSISDBHSA-N 2 1 362.522 0.425 20 0 FCADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654593 /nfs/dbraw/zinc/65/45/93/492654593.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 2 1 362.518 0.936 20 0 FCADMP C[N@H+](CCOCC[NH3+])CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000629579408 492656419 /nfs/dbraw/zinc/65/64/19/492656419.db2.gz MLHRPNYLYBBSFA-UHFFFAOYSA-N 2 1 362.474 0.446 20 0 FCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000629579408 492656423 /nfs/dbraw/zinc/65/64/23/492656423.db2.gz MLHRPNYLYBBSFA-UHFFFAOYSA-N 2 1 362.474 0.446 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000644162149 492656726 /nfs/dbraw/zinc/65/67/26/492656726.db2.gz BFNBZXVWGIABJX-MJGOQNOKSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162149 492656730 /nfs/dbraw/zinc/65/67/30/492656730.db2.gz BFNBZXVWGIABJX-MJGOQNOKSA-N 2 1 365.522 0.130 20 0 FCADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000644162149 492656731 /nfs/dbraw/zinc/65/67/31/492656731.db2.gz BFNBZXVWGIABJX-MJGOQNOKSA-N 2 1 365.522 0.130 20 0 FCADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650680098 492660626 /nfs/dbraw/zinc/66/06/26/492660626.db2.gz OJOSESQMGDGEPN-MRXNPFEDSA-N 2 1 368.547 0.808 20 0 FCADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650680098 492660629 /nfs/dbraw/zinc/66/06/29/492660629.db2.gz OJOSESQMGDGEPN-MRXNPFEDSA-N 2 1 368.547 0.808 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629793260 492674552 /nfs/dbraw/zinc/67/45/52/492674552.db2.gz DNSVMPIBCZCSOD-SJORKVTESA-N 2 1 368.522 0.533 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000629802888 492680532 /nfs/dbraw/zinc/68/05/32/492680532.db2.gz AESVBLKMTDCWJC-ROUUACIJSA-N 2 1 358.486 0.915 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000629802888 492680537 /nfs/dbraw/zinc/68/05/37/492680537.db2.gz AESVBLKMTDCWJC-ROUUACIJSA-N 2 1 358.486 0.915 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000650892213 492682527 /nfs/dbraw/zinc/68/25/27/492682527.db2.gz HYMKGBFYYYWCDU-INIZCTEOSA-N 2 1 353.511 0.701 20 0 FCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629809276 492682800 /nfs/dbraw/zinc/68/28/00/492682800.db2.gz PBQAURXEOAWDKP-AGIUHOORSA-N 2 1 364.412 0.525 20 0 FCADMP C[NH+](CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709028 /nfs/dbraw/zinc/70/90/28/492709028.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](CC(=O)NC[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709030 /nfs/dbraw/zinc/70/90/30/492709030.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 2 1 350.507 0.966 20 0 FCADMP C[NH+](CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709032 /nfs/dbraw/zinc/70/90/32/492709032.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 2 1 350.507 0.966 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C[N@H+]1C1CC1 ZINC000636907297 492725230 /nfs/dbraw/zinc/72/52/30/492725230.db2.gz MZFDEWLGCCGCTP-ZRGWGRIASA-N 2 1 366.506 0.527 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000657132757 492728607 /nfs/dbraw/zinc/72/86/07/492728607.db2.gz DDUZXTWWUMFKCS-UHFFFAOYSA-N 2 1 370.519 0.389 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000636950428 492735636 /nfs/dbraw/zinc/73/56/36/492735636.db2.gz UWYUVYLHJPYLCS-SFFUCWETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000636950428 492735638 /nfs/dbraw/zinc/73/56/38/492735638.db2.gz UWYUVYLHJPYLCS-SFFUCWETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000636950428 492735641 /nfs/dbraw/zinc/73/56/41/492735641.db2.gz UWYUVYLHJPYLCS-SFFUCWETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000636950428 492735644 /nfs/dbraw/zinc/73/56/44/492735644.db2.gz UWYUVYLHJPYLCS-SFFUCWETSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000636950429 492736166 /nfs/dbraw/zinc/73/61/66/492736166.db2.gz UWYUVYLHJPYLCS-UYTYNIKBSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000636950429 492736168 /nfs/dbraw/zinc/73/61/68/492736168.db2.gz UWYUVYLHJPYLCS-UYTYNIKBSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000636950429 492736170 /nfs/dbraw/zinc/73/61/70/492736170.db2.gz UWYUVYLHJPYLCS-UYTYNIKBSA-N 2 1 368.522 0.989 20 0 FCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000636950429 492736173 /nfs/dbraw/zinc/73/61/73/492736173.db2.gz UWYUVYLHJPYLCS-UYTYNIKBSA-N 2 1 368.522 0.989 20 0 FCADMP CCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1nccn1C ZINC000625383578 492770863 /nfs/dbraw/zinc/77/08/63/492770863.db2.gz MVYQMIHRRGMIHC-KBMXLJTQSA-N 2 1 363.462 0.167 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000631196434 492803184 /nfs/dbraw/zinc/80/31/84/492803184.db2.gz RPXUIEHEXGQRCU-DOTOQJQBSA-N 2 1 356.470 0.942 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637280189 492804194 /nfs/dbraw/zinc/80/41/94/492804194.db2.gz JNKPNSDXVBYAOO-HOTGVXAUSA-N 2 1 353.511 0.746 20 0 FCADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375360 492814138 /nfs/dbraw/zinc/81/41/38/492814138.db2.gz IWHZSAJHJQRZNH-XHSDSOJGSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375360 492814140 /nfs/dbraw/zinc/81/41/40/492814140.db2.gz IWHZSAJHJQRZNH-XHSDSOJGSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC[C@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC[C@H]21 ZINC000637375360 492814142 /nfs/dbraw/zinc/81/41/42/492814142.db2.gz IWHZSAJHJQRZNH-XHSDSOJGSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000637375604 492814416 /nfs/dbraw/zinc/81/44/16/492814416.db2.gz OBLQEHRSQWEFTQ-SJORKVTESA-N 2 1 365.522 0.700 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000637376194 492815768 /nfs/dbraw/zinc/81/57/68/492815768.db2.gz FGQXNZOGMYQICV-IRXDYDNUSA-N 2 1 365.522 0.986 20 0 FCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000637375719 492815983 /nfs/dbraw/zinc/81/59/83/492815983.db2.gz QGDGQHDXHMEYGK-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375719 492815986 /nfs/dbraw/zinc/81/59/86/492815986.db2.gz QGDGQHDXHMEYGK-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637375719 492815989 /nfs/dbraw/zinc/81/59/89/492815989.db2.gz QGDGQHDXHMEYGK-PMPSAXMXSA-N 2 1 351.495 0.452 20 0 FCADMP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644989999 492836504 /nfs/dbraw/zinc/83/65/04/492836504.db2.gz PRSGJESJHDZSGU-FGYAAKKASA-N 3 1 356.514 0.998 20 0 FCADMP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644989999 492836508 /nfs/dbraw/zinc/83/65/08/492836508.db2.gz PRSGJESJHDZSGU-FGYAAKKASA-N 3 1 356.514 0.998 20 0 FCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000658120688 492840804 /nfs/dbraw/zinc/84/08/04/492840804.db2.gz XKILLYMSVXIDKT-CQSZACIVSA-N 2 1 364.494 0.620 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631858044 492864576 /nfs/dbraw/zinc/86/45/76/492864576.db2.gz QYUZXRPHYBFPHB-CALCHBBNSA-N 2 1 372.579 0.901 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631858044 492864579 /nfs/dbraw/zinc/86/45/79/492864579.db2.gz QYUZXRPHYBFPHB-CALCHBBNSA-N 2 1 372.579 0.901 20 0 FCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000652151143 492887735 /nfs/dbraw/zinc/88/77/35/492887735.db2.gz KFJHAZRSXWCWKV-OAGGEKHMSA-N 2 1 356.536 0.963 20 0 FCADMP CC[N@@H+](CCCNC(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000652201403 492894562 /nfs/dbraw/zinc/89/45/62/492894562.db2.gz DXTRTMZBWPRPFR-UHFFFAOYSA-N 2 1 353.511 0.762 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)n1C ZINC000645351620 492897825 /nfs/dbraw/zinc/89/78/25/492897825.db2.gz ZSYZUYNZOFZCMI-UHFFFAOYSA-N 2 1 350.467 0.492 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638077768 492901008 /nfs/dbraw/zinc/90/10/08/492901008.db2.gz ARDDHUJISQYNFX-FXAWDEMLSA-N 2 1 374.485 0.709 20 0 FCADMP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638116305 492910187 /nfs/dbraw/zinc/91/01/87/492910187.db2.gz CNZWTTZRBQCVQP-IBGZPJMESA-N 2 1 372.513 0.398 20 0 FCADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348600 492913362 /nfs/dbraw/zinc/91/33/62/492913362.db2.gz JUXLDSGVPCFAOW-XHSDSOJGSA-N 2 1 363.524 0.161 20 0 FCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348667 492913638 /nfs/dbraw/zinc/91/36/38/492913638.db2.gz MLLMFUFCMXTQDT-LZLYRXPVSA-N 3 1 352.523 0.805 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC000652351608 492914163 /nfs/dbraw/zinc/91/41/63/492914163.db2.gz KJNAMYXQQHDDOT-PXNSSMCTSA-N 2 1 362.518 0.908 20 0 FCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 ZINC000652351608 492914166 /nfs/dbraw/zinc/91/41/66/492914166.db2.gz KJNAMYXQQHDDOT-PXNSSMCTSA-N 2 1 362.518 0.908 20 0 FCADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000638137084 492915391 /nfs/dbraw/zinc/91/53/91/492915391.db2.gz RDXRGXVUJHHVKI-AZUAARDMSA-N 2 1 360.502 0.817 20 0 FCADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652360472 492916385 /nfs/dbraw/zinc/91/63/85/492916385.db2.gz IXKGODCUJAVFMO-GVDBMIGSSA-N 2 1 352.479 0.038 20 0 FCADMP O=C(CN1CC[NH2+]CC1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000638138826 492917619 /nfs/dbraw/zinc/91/76/19/492917619.db2.gz HFOBUFVABRYDTP-UHFFFAOYSA-N 2 1 365.909 0.483 20 0 FCADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638175375 492920677 /nfs/dbraw/zinc/92/06/77/492920677.db2.gz ZVWBPWYFCYILJZ-VDZJLULYSA-N 2 1 374.485 0.342 20 0 FCADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000638303977 492932490 /nfs/dbraw/zinc/93/24/90/492932490.db2.gz XIUQXGNLYPZFOL-QGZVFWFLSA-N 2 1 355.442 0.956 20 0 FCADMP CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)CC1 ZINC000632155424 492941021 /nfs/dbraw/zinc/94/10/21/492941021.db2.gz YRKUBIIRSOSJGR-UHFFFAOYSA-N 2 1 372.579 0.901 20 0 FCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000652479661 492947793 /nfs/dbraw/zinc/94/77/93/492947793.db2.gz SRMNCTWPLHIFKC-SJORKVTESA-N 2 1 350.507 0.873 20 0 FCADMP CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632232186 492954781 /nfs/dbraw/zinc/95/47/81/492954781.db2.gz RGUDWQMRBXDBAQ-UHFFFAOYSA-N 2 1 360.568 0.760 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000638498308 492957620 /nfs/dbraw/zinc/95/76/20/492957620.db2.gz RIOLJGJDYAAHBH-KRWDZBQOSA-N 2 1 358.486 0.764 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000638558722 492960361 /nfs/dbraw/zinc/96/03/61/492960361.db2.gz OJMXHSOXZIHZCI-KBPBESRZSA-N 2 1 350.429 1.000 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000638558728 492961284 /nfs/dbraw/zinc/96/12/84/492961284.db2.gz OJMXHSOXZIHZCI-UONOGXRCSA-N 2 1 350.429 1.000 20 0 FCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925774 492988469 /nfs/dbraw/zinc/98/84/69/492988469.db2.gz QAAKHGUFRLLHCX-QAPCUYQASA-N 2 1 373.501 0.833 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639005886 492991712 /nfs/dbraw/zinc/99/17/12/492991712.db2.gz QMPDDWSOAYWHSU-ZWKOTPCHSA-N 2 1 358.486 0.944 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639005885 492991937 /nfs/dbraw/zinc/99/19/37/492991937.db2.gz QMPDDWSOAYWHSU-ROUUACIJSA-N 2 1 358.486 0.944 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652696119 492993000 /nfs/dbraw/zinc/99/30/00/492993000.db2.gz GKAHNZOGHGZUAT-KZNAEPCWSA-N 2 1 358.486 0.758 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652696119 492993005 /nfs/dbraw/zinc/99/30/05/492993005.db2.gz GKAHNZOGHGZUAT-KZNAEPCWSA-N 2 1 358.486 0.758 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701985 492994665 /nfs/dbraw/zinc/99/46/65/492994665.db2.gz MWFWXDHRCQKGNH-BPQIPLTHSA-N 2 1 358.486 0.628 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652701985 492994668 /nfs/dbraw/zinc/99/46/68/492994668.db2.gz MWFWXDHRCQKGNH-BPQIPLTHSA-N 2 1 358.486 0.628 20 0 FCADMP C[NH+]1CCC(C[NH2+]C2CCN(CC(C)(C)O)CC2)(N2CCOCC2)CC1 ZINC000639261147 493003254 /nfs/dbraw/zinc/00/32/54/493003254.db2.gz LKSXDYQKKNVAMI-UHFFFAOYSA-N 2 1 368.566 0.608 20 0 FCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652731002 493009281 /nfs/dbraw/zinc/00/92/81/493009281.db2.gz YWIMYFPCWXJXCT-UXLLHSPISA-N 2 1 366.506 0.284 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737112 493013099 /nfs/dbraw/zinc/01/30/99/493013099.db2.gz ZQWBJUWBKVEPPA-JQHSSLGASA-N 2 1 358.486 0.567 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652737112 493013102 /nfs/dbraw/zinc/01/31/02/493013102.db2.gz ZQWBJUWBKVEPPA-JQHSSLGASA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736785 493013135 /nfs/dbraw/zinc/01/31/35/493013135.db2.gz PEEZATQSQDSRON-NXHRZFHOSA-N 2 1 358.486 0.567 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000652736785 493013140 /nfs/dbraw/zinc/01/31/40/493013140.db2.gz PEEZATQSQDSRON-NXHRZFHOSA-N 2 1 358.486 0.567 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105718 493013607 /nfs/dbraw/zinc/01/36/07/493013607.db2.gz FCSSWIXLYXLXBM-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652737018 493013638 /nfs/dbraw/zinc/01/36/38/493013638.db2.gz WOHGVAUGYLGIJH-KSZLIROESA-N 2 1 356.470 0.050 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652737018 493013642 /nfs/dbraw/zinc/01/36/42/493013642.db2.gz WOHGVAUGYLGIJH-KSZLIROESA-N 2 1 356.470 0.050 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000632539430 493024742 /nfs/dbraw/zinc/02/47/42/493024742.db2.gz HNHJEKAVZVNPQF-IAGOWNOFSA-N 2 1 358.552 0.560 20 0 FCADMP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000632559759 493028629 /nfs/dbraw/zinc/02/86/29/493028629.db2.gz NAABEOFFSBFHCX-QGZVFWFLSA-N 2 1 372.579 0.950 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646415148 493046630 /nfs/dbraw/zinc/04/66/30/493046630.db2.gz DGHSGXQIPPYVBP-HRCADAONSA-N 2 1 354.495 0.010 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646415148 493046633 /nfs/dbraw/zinc/04/66/33/493046633.db2.gz DGHSGXQIPPYVBP-HRCADAONSA-N 2 1 354.495 0.010 20 0 FCADMP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000626918345 493062507 /nfs/dbraw/zinc/06/25/07/493062507.db2.gz ZGNZZPSXHFUIRG-QWHCGFSZSA-N 2 1 352.401 0.877 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626986063 493075573 /nfs/dbraw/zinc/07/55/73/493075573.db2.gz OLZBGKRELMYIIR-SJORKVTESA-N 2 1 361.490 0.485 20 0 FCADMP C[NH+](C)CC[C@H](N)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000653147826 493077082 /nfs/dbraw/zinc/07/70/82/493077082.db2.gz BIFNXPMPHURXBV-SFHVURJKSA-N 2 1 363.506 0.412 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[C@H]1C(F)(F)F ZINC000627044510 493084524 /nfs/dbraw/zinc/08/45/24/493084524.db2.gz NEJGPHAWGLEIBI-CHWSQXEVSA-N 2 1 352.401 0.877 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000632779087 493087515 /nfs/dbraw/zinc/08/75/15/493087515.db2.gz RPHAOPPYCRSCTN-RFSXOUPVSA-N 2 1 360.502 0.053 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272005 493087970 /nfs/dbraw/zinc/08/79/70/493087970.db2.gz UXRTYPGZTNIKGU-SJORKVTESA-N 2 1 350.507 0.825 20 0 FCADMP CCCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000646765812 493092591 /nfs/dbraw/zinc/09/25/91/493092591.db2.gz LZTQXTFTQFQVIH-OAHLLOKOSA-N 2 1 356.430 1.149 20 0 FCADMP Cc1ccc(N2CCC(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)CC2)[nH+]c1 ZINC000646802173 493099147 /nfs/dbraw/zinc/09/91/47/493099147.db2.gz WWKRGKGDYOUEAW-UHFFFAOYSA-N 2 1 370.461 0.773 20 0 FCADMP C[C@@H](c1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000633033032 493106678 /nfs/dbraw/zinc/10/66/78/493106678.db2.gz FURXGGBTZBQXBK-JCGIZDLHSA-N 2 1 372.469 0.981 20 0 FCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633034123 493107460 /nfs/dbraw/zinc/10/74/60/493107460.db2.gz UMUOPERWXJXUIY-HDICACEKSA-N 2 1 372.469 0.463 20 0 FCADMP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000627226121 493110466 /nfs/dbraw/zinc/11/04/66/493110466.db2.gz NHVMKXBXYOORFA-SFHVURJKSA-N 2 1 369.473 0.840 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627233165 493112938 /nfs/dbraw/zinc/11/29/38/493112938.db2.gz OGDLONKHMCVGEP-HNNXBMFYSA-N 2 1 365.482 0.065 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627233165 493112942 /nfs/dbraw/zinc/11/29/42/493112942.db2.gz OGDLONKHMCVGEP-HNNXBMFYSA-N 2 1 365.482 0.065 20 0 FCADMP Cn1c(N)c(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c(=O)n(C)c1=O ZINC000640533461 493113425 /nfs/dbraw/zinc/11/34/25/493113425.db2.gz SBMGWFKHQIEJBB-UHFFFAOYSA-N 2 1 365.478 0.047 20 0 FCADMP Cn1c(N)c(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c(=O)n(C)c1=O ZINC000640533461 493113426 /nfs/dbraw/zinc/11/34/26/493113426.db2.gz SBMGWFKHQIEJBB-UHFFFAOYSA-N 2 1 365.478 0.047 20 0 FCADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2cccs2)CC1 ZINC000633079511 493117174 /nfs/dbraw/zinc/11/71/74/493117174.db2.gz WMULQYWZRNZGHM-GASCZTMLSA-N 2 1 362.499 0.398 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000633099008 493124234 /nfs/dbraw/zinc/12/42/34/493124234.db2.gz PAOQNUSQXKRHEM-NJAFHUGGSA-N 2 1 356.470 0.682 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627263819 493124371 /nfs/dbraw/zinc/12/43/71/493124371.db2.gz JJMCLKKDFUKLCZ-LSDHHAIUSA-N 2 1 358.446 0.504 20 0 FCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627263819 493124375 /nfs/dbraw/zinc/12/43/75/493124375.db2.gz JJMCLKKDFUKLCZ-LSDHHAIUSA-N 2 1 358.446 0.504 20 0 FCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000633149925 493136795 /nfs/dbraw/zinc/13/67/95/493136795.db2.gz XOEGJBDZYMQSAI-NRSFXHEJSA-N 2 1 356.470 0.525 20 0 FCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000646989817 493141837 /nfs/dbraw/zinc/14/18/37/493141837.db2.gz PTHPBIDOOSVBEM-KRWDZBQOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627312228 493146902 /nfs/dbraw/zinc/14/69/02/493146902.db2.gz TVYVPSASFXOCTF-NVXWUHKLSA-N 2 1 362.474 0.372 20 0 FCADMP Cc1cccc(C[NH+]2CCN(C(=O)Cn3cc(CCC[NH3+])nn3)CC2)c1 ZINC000640953074 493153386 /nfs/dbraw/zinc/15/33/86/493153386.db2.gz LXUYMORDCFIWIA-UHFFFAOYSA-N 2 1 356.474 0.822 20 0 FCADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627329360 493156277 /nfs/dbraw/zinc/15/62/77/493156277.db2.gz IFTIABBQTICHRY-QGZVFWFLSA-N 2 1 362.474 0.201 20 0 FCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006181 493161578 /nfs/dbraw/zinc/16/15/78/493161578.db2.gz XQWPWHPCEOSUSA-NVXWUHKLSA-N 2 1 372.473 0.705 20 0 FCADMP Cn1ccc(N2CCC[C@@H](n3cc(CC[NH+]4CCC([NH3+])CC4)nn3)C2=O)n1 ZINC000641072654 493165650 /nfs/dbraw/zinc/16/56/50/493165650.db2.gz DVJRXDPSOWUYQK-MRXNPFEDSA-N 2 1 372.477 0.345 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627356582 493173314 /nfs/dbraw/zinc/17/33/14/493173314.db2.gz KOFSYVZYSLGALZ-RYQLBKOJSA-N 2 1 374.485 0.118 20 0 FCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659427990 493174308 /nfs/dbraw/zinc/17/43/08/493174308.db2.gz VPTXAOQOBJMKIB-AWEZNQCLSA-N 2 1 356.430 0.715 20 0 FCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627358072 493175129 /nfs/dbraw/zinc/17/51/29/493175129.db2.gz ZZGVXHBPDMKIFC-BBWFWOEESA-N 2 1 352.523 0.927 20 0 FCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659435241 493175587 /nfs/dbraw/zinc/17/55/87/493175587.db2.gz UUBMQGMCVZPUNA-UHFFFAOYSA-N 2 1 361.465 0.999 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659433388 493176788 /nfs/dbraw/zinc/17/67/88/493176788.db2.gz CSUOXFITGFVFNZ-KRWDZBQOSA-N 2 1 365.522 0.572 20 0 FCADMP c1c(CCN2CC[NH2+]CC2)nnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641180499 493177051 /nfs/dbraw/zinc/17/70/51/493177051.db2.gz HKJMWXZCDIQFDX-UHFFFAOYSA-N 2 1 370.501 0.606 20 0 FCADMP COCC[NH2+]CCc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641181294 493177308 /nfs/dbraw/zinc/17/73/08/493177308.db2.gz WTEUEWXLWPQMSY-UHFFFAOYSA-N 2 1 359.474 0.937 20 0 FCADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627366340 493180904 /nfs/dbraw/zinc/18/09/04/493180904.db2.gz PLQRARUFUYPIJD-KRWDZBQOSA-N 2 1 362.474 0.058 20 0 FCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627365497 493181619 /nfs/dbraw/zinc/18/16/19/493181619.db2.gz QICMQLHVYGPKJN-YNEHKIRRSA-N 2 1 366.428 0.819 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000627372325 493184494 /nfs/dbraw/zinc/18/44/94/493184494.db2.gz JYVBAYWFKRJVEZ-WZRBSPASSA-N 2 1 364.412 0.571 20 0 FCADMP Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000666674547 493214418 /nfs/dbraw/zinc/21/44/18/493214418.db2.gz VWJUBEWJGKHPDH-KRWDZBQOSA-N 3 1 360.506 0.853 20 0 FCADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590871 493217508 /nfs/dbraw/zinc/21/75/08/493217508.db2.gz QNYUFWWHWTXGAE-NUJGCVRESA-N 2 1 350.438 0.637 20 0 FCADMP C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000659629672 493223519 /nfs/dbraw/zinc/22/35/19/493223519.db2.gz YYRUBKNPDWMEDT-INIZCTEOSA-N 2 1 370.457 0.709 20 0 FCADMP C[N@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000659629672 493223523 /nfs/dbraw/zinc/22/35/23/493223523.db2.gz YYRUBKNPDWMEDT-INIZCTEOSA-N 2 1 370.457 0.709 20 0 FCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000666796309 493228185 /nfs/dbraw/zinc/22/81/85/493228185.db2.gz NOEIXHBEPHZOKI-SFHVURJKSA-N 2 1 373.501 0.583 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000666924835 493237371 /nfs/dbraw/zinc/23/73/71/493237371.db2.gz MBERRTQUPJMIGP-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000666924835 493237375 /nfs/dbraw/zinc/23/73/75/493237375.db2.gz MBERRTQUPJMIGP-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP CCC[NH+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000666924835 493237379 /nfs/dbraw/zinc/23/73/79/493237379.db2.gz MBERRTQUPJMIGP-HZPDHXFCSA-N 2 1 351.495 0.419 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000659672974 493243776 /nfs/dbraw/zinc/24/37/76/493243776.db2.gz FMRWBXBCEHRDSE-UHFFFAOYSA-N 2 1 366.506 0.525 20 0 FCADMP C[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000666976979 493244430 /nfs/dbraw/zinc/24/44/30/493244430.db2.gz UBQHXFDOJUJHAV-RDJZCZTQSA-N 2 1 368.522 0.726 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000659678218 493247420 /nfs/dbraw/zinc/24/74/20/493247420.db2.gz VQDIBHGKIDGMBY-OAGGEKHMSA-N 2 1 354.495 0.189 20 0 FCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659683305 493250455 /nfs/dbraw/zinc/25/04/55/493250455.db2.gz QGMQNOWEWGVBBX-ZIAGYGMSSA-N 2 1 354.495 0.378 20 0 FCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659687769 493253721 /nfs/dbraw/zinc/25/37/21/493253721.db2.gz MLGPEKRDCDNNQL-WBVHZDCISA-N 2 1 362.474 0.118 20 0 FCADMP CCS(=O)(=O)N[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054395 493255151 /nfs/dbraw/zinc/25/51/51/493255151.db2.gz HNGLCHQNIZMPMV-LBPRGKRZSA-N 2 1 355.464 0.100 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000659692281 493256316 /nfs/dbraw/zinc/25/63/16/493256316.db2.gz YWOLUAJXUAYNSO-OAHLLOKOSA-N 2 1 358.486 0.937 20 0 FCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000659692281 493256317 /nfs/dbraw/zinc/25/63/17/493256317.db2.gz YWOLUAJXUAYNSO-OAHLLOKOSA-N 2 1 358.486 0.937 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659699066 493260351 /nfs/dbraw/zinc/26/03/51/493260351.db2.gz KGPJCEUGDXHCBK-INIZCTEOSA-N 2 1 350.507 0.825 20 0 FCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719537 493271254 /nfs/dbraw/zinc/27/12/54/493271254.db2.gz YSVHTLXLYQMFGP-OFQRWUPVSA-N 2 1 366.506 0.739 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641667712 493273273 /nfs/dbraw/zinc/27/32/73/493273273.db2.gz ICEYDUMXOHLQLK-SFHVURJKSA-N 2 1 352.523 0.631 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670887 493275896 /nfs/dbraw/zinc/27/58/96/493275896.db2.gz RCRXCWVAJUMNQL-IAGOWNOFSA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670887 493275898 /nfs/dbraw/zinc/27/58/98/493275898.db2.gz RCRXCWVAJUMNQL-IAGOWNOFSA-N 2 1 370.563 0.337 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000641670887 493275901 /nfs/dbraw/zinc/27/59/01/493275901.db2.gz RCRXCWVAJUMNQL-IAGOWNOFSA-N 2 1 370.563 0.337 20 0 FCADMP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659735352 493278660 /nfs/dbraw/zinc/27/86/60/493278660.db2.gz RYVSJNDSUOWXJF-MRXNPFEDSA-N 2 1 365.522 0.001 20 0 FCADMP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659735352 493278662 /nfs/dbraw/zinc/27/86/62/493278662.db2.gz RYVSJNDSUOWXJF-MRXNPFEDSA-N 2 1 365.522 0.001 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000659738842 493279933 /nfs/dbraw/zinc/27/99/33/493279933.db2.gz IYHGEMYFOPXJLM-IKGGRYGDSA-N 2 1 366.506 0.332 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659739084 493280438 /nfs/dbraw/zinc/28/04/38/493280438.db2.gz MYCPZGCOMSHRIF-IXDOHACOSA-N 2 1 350.507 0.968 20 0 FCADMP CCn1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000682229691 493281034 /nfs/dbraw/zinc/28/10/34/493281034.db2.gz LRWZATIBPFIJIT-MRXNPFEDSA-N 2 1 362.478 0.468 20 0 FCADMP CCN1CC[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000659913052 493301747 /nfs/dbraw/zinc/30/17/47/493301747.db2.gz SAKLFJRVDBZSDA-KRWDZBQOSA-N 2 1 350.507 0.873 20 0 FCADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655376 493370517 /nfs/dbraw/zinc/37/05/17/493370517.db2.gz LVYBXOJTTOBLOZ-HXUWFJFHSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655376 493370520 /nfs/dbraw/zinc/37/05/20/493370520.db2.gz LVYBXOJTTOBLOZ-HXUWFJFHSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000660655376 493370524 /nfs/dbraw/zinc/37/05/24/493370524.db2.gz LVYBXOJTTOBLOZ-HXUWFJFHSA-N 2 1 372.517 0.933 20 0 FCADMP C[NH+](C)[C@]1(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCSC1 ZINC000673982300 493379293 /nfs/dbraw/zinc/37/92/93/493379293.db2.gz KEBUVAKHBCJZKH-RDJZCZTQSA-N 2 1 356.536 0.930 20 0 FCADMP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000660830060 493383363 /nfs/dbraw/zinc/38/33/63/493383363.db2.gz KUVQMGSWRBKQQK-WMZOPIPTSA-N 2 1 367.538 0.422 20 0 FCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660900307 493391988 /nfs/dbraw/zinc/39/19/88/493391988.db2.gz XMNZXASUXMDGHI-DLBZAZTESA-N 2 1 366.506 0.156 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000668852687 493422101 /nfs/dbraw/zinc/42/21/01/493422101.db2.gz GFZSOSQWMYJGCT-OAHLLOKOSA-N 2 1 368.522 0.593 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668934340 493440216 /nfs/dbraw/zinc/44/02/16/493440216.db2.gz LBYRMXPOJNIGRN-CABCVRRESA-N 2 1 350.467 0.119 20 0 FCADMP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668934340 493440220 /nfs/dbraw/zinc/44/02/20/493440220.db2.gz LBYRMXPOJNIGRN-CABCVRRESA-N 2 1 350.467 0.119 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685338271 493478219 /nfs/dbraw/zinc/47/82/19/493478219.db2.gz BJSHRXBHMIHTMH-RDJZCZTQSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685338271 493478220 /nfs/dbraw/zinc/47/82/20/493478220.db2.gz BJSHRXBHMIHTMH-RDJZCZTQSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685338271 493478222 /nfs/dbraw/zinc/47/82/22/493478222.db2.gz BJSHRXBHMIHTMH-RDJZCZTQSA-N 2 1 368.522 0.401 20 0 FCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685338271 493478223 /nfs/dbraw/zinc/47/82/23/493478223.db2.gz BJSHRXBHMIHTMH-RDJZCZTQSA-N 2 1 368.522 0.401 20 0 FCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000685341140 493480472 /nfs/dbraw/zinc/48/04/72/493480472.db2.gz GNPQMVJVNFKIKL-XUWVNRHRSA-N 2 1 354.495 0.153 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000685341140 493480475 /nfs/dbraw/zinc/48/04/75/493480475.db2.gz GNPQMVJVNFKIKL-XUWVNRHRSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000685341140 493480476 /nfs/dbraw/zinc/48/04/76/493480476.db2.gz GNPQMVJVNFKIKL-XUWVNRHRSA-N 2 1 354.495 0.153 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000685341140 493480478 /nfs/dbraw/zinc/48/04/78/493480478.db2.gz GNPQMVJVNFKIKL-XUWVNRHRSA-N 2 1 354.495 0.153 20 0 FCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000669285563 493489294 /nfs/dbraw/zinc/48/92/94/493489294.db2.gz BRULUOXSCNFGFJ-QGZVFWFLSA-N 2 1 368.522 0.593 20 0 FCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295934 493504461 /nfs/dbraw/zinc/50/44/61/493504461.db2.gz JDTWGECYOIRWKI-CRAIPNDOSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000669486531 493506726 /nfs/dbraw/zinc/50/67/26/493506726.db2.gz UPPGBQXJAQURET-ULQDDVLXSA-N 2 1 353.511 0.304 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494897 493507238 /nfs/dbraw/zinc/50/72/38/493507238.db2.gz UISGSYQTENDDIF-SZMVWBNQSA-N 2 1 362.474 0.564 20 0 FCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494897 493507239 /nfs/dbraw/zinc/50/72/39/493507239.db2.gz UISGSYQTENDDIF-SZMVWBNQSA-N 2 1 362.474 0.564 20 0 FCADMP C[C@@H](NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC[NH+](C)CC1 ZINC000669490522 493507523 /nfs/dbraw/zinc/50/75/23/493507523.db2.gz MEFYLKURAGYDKF-GDBMZVCRSA-N 2 1 351.495 0.323 20 0 FCADMP C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000675994315 493516614 /nfs/dbraw/zinc/51/66/14/493516614.db2.gz ABNRCCWGNBFPEB-WBVHZDCISA-N 2 1 365.522 0.665 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000675995121 493516753 /nfs/dbraw/zinc/51/67/53/493516753.db2.gz NNUPQKFPAQIOLV-DLBZAZTESA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675995121 493516757 /nfs/dbraw/zinc/51/67/57/493516757.db2.gz NNUPQKFPAQIOLV-DLBZAZTESA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675995121 493516759 /nfs/dbraw/zinc/51/67/59/493516759.db2.gz NNUPQKFPAQIOLV-DLBZAZTESA-N 2 1 363.506 0.419 20 0 FCADMP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000662529200 493524239 /nfs/dbraw/zinc/52/42/39/493524239.db2.gz RGJONNDUUHICAE-KBPBESRZSA-N 2 1 350.467 0.120 20 0 FCADMP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000662529200 493524240 /nfs/dbraw/zinc/52/42/40/493524240.db2.gz RGJONNDUUHICAE-KBPBESRZSA-N 2 1 350.467 0.120 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662534449 493524405 /nfs/dbraw/zinc/52/44/05/493524405.db2.gz HJUBPUWEZRPGIM-STQMWFEESA-N 2 1 353.385 0.463 20 0 FCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C ZINC000662560579 493526132 /nfs/dbraw/zinc/52/61/32/493526132.db2.gz JQEPYZLSTYWMNX-ZBFHGGJFSA-N 2 1 370.457 0.916 20 0 FCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662724760 493535496 /nfs/dbraw/zinc/53/54/96/493535496.db2.gz SXDJOCHPAQXWRO-ILXRZTDVSA-N 2 1 350.467 0.120 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662724760 493535498 /nfs/dbraw/zinc/53/54/98/493535498.db2.gz SXDJOCHPAQXWRO-ILXRZTDVSA-N 2 1 350.467 0.120 20 0 FCADMP Cc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662758411 493539772 /nfs/dbraw/zinc/53/97/72/493539772.db2.gz RPMWLRCXIGHYAW-CQSZACIVSA-N 3 1 370.461 0.520 20 0 FCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000662758580 493539998 /nfs/dbraw/zinc/53/99/98/493539998.db2.gz QLKDMABSXXJBSW-YOEHRIQHSA-N 2 1 373.457 0.740 20 0 FCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000662758577 493540050 /nfs/dbraw/zinc/54/00/50/493540050.db2.gz QLKDMABSXXJBSW-WMLDXEAASA-N 2 1 373.457 0.740 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC000662780761 493541423 /nfs/dbraw/zinc/54/14/23/493541423.db2.gz RQMOGCVKXFACCH-MISYRCLQSA-N 2 1 372.513 0.782 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC000662780761 493541425 /nfs/dbraw/zinc/54/14/25/493541425.db2.gz RQMOGCVKXFACCH-MISYRCLQSA-N 2 1 372.513 0.782 20 0 FCADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000662815275 493544541 /nfs/dbraw/zinc/54/45/41/493544541.db2.gz QXGRWGKNKNKUHL-WBVHZDCISA-N 2 1 355.446 0.774 20 0 FCADMP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901106 493550031 /nfs/dbraw/zinc/55/00/31/493550031.db2.gz SPYADMCEWNCIRB-GOEBONIOSA-N 2 1 360.506 0.727 20 0 FCADMP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901106 493550033 /nfs/dbraw/zinc/55/00/33/493550033.db2.gz SPYADMCEWNCIRB-GOEBONIOSA-N 2 1 360.506 0.727 20 0 FCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662946169 493558887 /nfs/dbraw/zinc/55/88/87/493558887.db2.gz BBTBGSIEJXNOCM-FUHWJXTLSA-N 2 1 358.486 0.582 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000670545576 493579208 /nfs/dbraw/zinc/57/92/08/493579208.db2.gz XAWWXHYBBPLLBV-MRXNPFEDSA-N 2 1 368.522 0.593 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546693 493579343 /nfs/dbraw/zinc/57/93/43/493579343.db2.gz BFNZTEGVQLBJEW-GJZGRUSLSA-N 2 1 359.474 0.544 20 0 FCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccn1 ZINC000670546693 493579345 /nfs/dbraw/zinc/57/93/45/493579345.db2.gz BFNZTEGVQLBJEW-GJZGRUSLSA-N 2 1 359.474 0.544 20 0 FCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cccs3)C2)CC1 ZINC000670638997 493583779 /nfs/dbraw/zinc/58/37/79/493583779.db2.gz AOTLJYOVMYDEOZ-CQSZACIVSA-N 2 1 364.515 0.692 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000663434952 493589007 /nfs/dbraw/zinc/58/90/07/493589007.db2.gz HGQWLAGQIOFWQT-AWEZNQCLSA-N 2 1 353.467 0.544 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670709555 493589519 /nfs/dbraw/zinc/58/95/19/493589519.db2.gz PFNQJJYQPVWUSL-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670709555 493589521 /nfs/dbraw/zinc/58/95/21/493589521.db2.gz PFNQJJYQPVWUSL-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670787486 493596771 /nfs/dbraw/zinc/59/67/71/493596771.db2.gz CAWZWAOPTDCADT-GDBMZVCRSA-N 2 1 355.442 0.736 20 0 FCADMP O=C(NCCc1cn2ccccc2n1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670787487 493596886 /nfs/dbraw/zinc/59/68/86/493596886.db2.gz CAWZWAOPTDCADT-GOEBONIOSA-N 2 1 355.442 0.736 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000670804567 493598529 /nfs/dbraw/zinc/59/85/29/493598529.db2.gz LMIKUXSDBDGLAG-DLBZAZTESA-N 2 1 350.507 0.966 20 0 FCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000670997788 493621899 /nfs/dbraw/zinc/62/18/99/493621899.db2.gz LEXOAJBBZOATBI-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105861 493634940 /nfs/dbraw/zinc/63/49/40/493634940.db2.gz VJGNGFGIVZJUPP-RDJZCZTQSA-N 2 1 364.490 0.053 20 0 FCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000671105861 493634941 /nfs/dbraw/zinc/63/49/41/493634941.db2.gz VJGNGFGIVZJUPP-RDJZCZTQSA-N 2 1 364.490 0.053 20 0 FCADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000671390473 493663222 /nfs/dbraw/zinc/66/32/22/493663222.db2.gz RJPJJHRYCQEJIC-NVXWUHKLSA-N 2 1 362.474 0.070 20 0 FCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000671815789 493707255 /nfs/dbraw/zinc/70/72/55/493707255.db2.gz FUITYWSEJRQACI-DAYGRLMNSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000671815789 493707257 /nfs/dbraw/zinc/70/72/57/493707257.db2.gz FUITYWSEJRQACI-DAYGRLMNSA-N 2 1 360.502 0.815 20 0 FCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000671815789 493707259 /nfs/dbraw/zinc/70/72/59/493707259.db2.gz FUITYWSEJRQACI-DAYGRLMNSA-N 2 1 360.502 0.815 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671820100 493707631 /nfs/dbraw/zinc/70/76/31/493707631.db2.gz GNGZUBJZRIXRIR-WBVHZDCISA-N 2 1 367.538 0.070 20 0 FCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671820100 493707633 /nfs/dbraw/zinc/70/76/33/493707633.db2.gz GNGZUBJZRIXRIR-WBVHZDCISA-N 2 1 367.538 0.070 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000665719839 493731343 /nfs/dbraw/zinc/73/13/43/493731343.db2.gz XTHOPRKNIFXPES-INIZCTEOSA-N 2 1 354.495 0.459 20 0 FCADMP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000665719839 493731344 /nfs/dbraw/zinc/73/13/44/493731344.db2.gz XTHOPRKNIFXPES-INIZCTEOSA-N 2 1 354.495 0.459 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000672166105 493740041 /nfs/dbraw/zinc/74/00/41/493740041.db2.gz RZXFQNNBCMXOBZ-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681164133 493748171 /nfs/dbraw/zinc/74/81/71/493748171.db2.gz NTGIUIWWCUSJMX-KRWDZBQOSA-N 2 1 360.506 0.939 20 0 FCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672305135 493751798 /nfs/dbraw/zinc/75/17/98/493751798.db2.gz CTXAJDWIJIGPOM-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672305135 493751799 /nfs/dbraw/zinc/75/17/99/493751799.db2.gz CTXAJDWIJIGPOM-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305135 493751802 /nfs/dbraw/zinc/75/18/02/493751802.db2.gz CTXAJDWIJIGPOM-IRXDYDNUSA-N 2 1 350.507 0.968 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672304043 493752378 /nfs/dbraw/zinc/75/23/78/493752378.db2.gz FXTGUIHMWUGUQB-IAGOWNOFSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672304043 493752379 /nfs/dbraw/zinc/75/23/79/493752379.db2.gz FXTGUIHMWUGUQB-IAGOWNOFSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672304043 493752380 /nfs/dbraw/zinc/75/23/80/493752380.db2.gz FXTGUIHMWUGUQB-IAGOWNOFSA-N 2 1 350.507 0.681 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H]1C ZINC000672311499 493754630 /nfs/dbraw/zinc/75/46/30/493754630.db2.gz FFSRBFHZZIQAGE-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C ZINC000672311499 493754633 /nfs/dbraw/zinc/75/46/33/493754633.db2.gz FFSRBFHZZIQAGE-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C ZINC000672311499 493754635 /nfs/dbraw/zinc/75/46/35/493754635.db2.gz FFSRBFHZZIQAGE-OIISXLGYSA-N 2 1 350.507 0.918 20 0 FCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310826 493755155 /nfs/dbraw/zinc/75/51/55/493755155.db2.gz JHBSPPNHJGRYAP-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1=O ZINC000936011218 674338346 /nfs/dbraw/zinc/33/83/46/674338346.db2.gz QGDVTLAJILEDCK-JKSUJKDBSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011218 674338347 /nfs/dbraw/zinc/33/83/47/674338347.db2.gz QGDVTLAJILEDCK-JKSUJKDBSA-N 2 1 354.495 0.155 20 0 FCADMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011218 674338351 /nfs/dbraw/zinc/33/83/51/674338351.db2.gz QGDVTLAJILEDCK-JKSUJKDBSA-N 2 1 354.495 0.155 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000410438586 527767227 /nfs/dbraw/zinc/76/72/27/527767227.db2.gz USEZDZYGLWVUGG-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000410438586 527767230 /nfs/dbraw/zinc/76/72/30/527767230.db2.gz USEZDZYGLWVUGG-QGZVFWFLSA-N 2 1 368.522 0.500 20 0 FCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000410731984 527827590 /nfs/dbraw/zinc/82/75/90/527827590.db2.gz RBESLOJWDAVOJP-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000410731984 527827596 /nfs/dbraw/zinc/82/75/96/527827596.db2.gz RBESLOJWDAVOJP-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000410731984 527827600 /nfs/dbraw/zinc/82/76/00/527827600.db2.gz RBESLOJWDAVOJP-BBWFWOEESA-N 2 1 350.507 0.872 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410804314 527842913 /nfs/dbraw/zinc/84/29/13/527842913.db2.gz FWUDMZMIGBMSPC-IXDOHACOSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000410804314 527842923 /nfs/dbraw/zinc/84/29/23/527842923.db2.gz FWUDMZMIGBMSPC-IXDOHACOSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000410804314 527842927 /nfs/dbraw/zinc/84/29/27/527842927.db2.gz FWUDMZMIGBMSPC-IXDOHACOSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000410804314 527842932 /nfs/dbraw/zinc/84/29/32/527842932.db2.gz FWUDMZMIGBMSPC-IXDOHACOSA-N 2 1 368.522 0.090 20 0 FCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000410727413 527843583 /nfs/dbraw/zinc/84/35/83/527843583.db2.gz BANYIAGHTHGCGJ-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000410727413 527843587 /nfs/dbraw/zinc/84/35/87/527843587.db2.gz BANYIAGHTHGCGJ-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000410727413 527843592 /nfs/dbraw/zinc/84/35/92/527843592.db2.gz BANYIAGHTHGCGJ-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000410727413 527843598 /nfs/dbraw/zinc/84/35/98/527843598.db2.gz BANYIAGHTHGCGJ-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000410941998 527891495 /nfs/dbraw/zinc/89/14/95/527891495.db2.gz DUBWIPOBKHBNTG-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000410941998 527891499 /nfs/dbraw/zinc/89/14/99/527891499.db2.gz DUBWIPOBKHBNTG-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000410941998 527891506 /nfs/dbraw/zinc/89/15/06/527891506.db2.gz DUBWIPOBKHBNTG-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000410941998 527891507 /nfs/dbraw/zinc/89/15/07/527891507.db2.gz DUBWIPOBKHBNTG-IKGGRYGDSA-N 2 1 350.507 0.870 20 0 FCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000410700255 527965614 /nfs/dbraw/zinc/96/56/14/527965614.db2.gz JOFZMVXPLYUHNS-BXWFABGCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000410700255 527965615 /nfs/dbraw/zinc/96/56/15/527965615.db2.gz JOFZMVXPLYUHNS-BXWFABGCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@@H]1C ZINC000410700255 527965621 /nfs/dbraw/zinc/96/56/21/527965621.db2.gz JOFZMVXPLYUHNS-BXWFABGCSA-N 2 1 350.507 0.872 20 0 FCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000410700255 527965622 /nfs/dbraw/zinc/96/56/22/527965622.db2.gz JOFZMVXPLYUHNS-BXWFABGCSA-N 2 1 350.507 0.872 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410780925 527989907 /nfs/dbraw/zinc/98/99/07/527989907.db2.gz AHZVPKLSKMBOCJ-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410780925 527989911 /nfs/dbraw/zinc/98/99/11/527989911.db2.gz AHZVPKLSKMBOCJ-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262088501 528356251 /nfs/dbraw/zinc/35/62/51/528356251.db2.gz RKYQVFYNCSUHDQ-MHORFTMASA-N 2 1 352.523 0.626 20 0 FCADMP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262088501 528356256 /nfs/dbraw/zinc/35/62/56/528356256.db2.gz RKYQVFYNCSUHDQ-MHORFTMASA-N 2 1 352.523 0.626 20 0 FCADMP CCN(CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000412420517 528566893 /nfs/dbraw/zinc/56/68/93/528566893.db2.gz AJJPECWDTQBQRY-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCOCCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000412420517 528566899 /nfs/dbraw/zinc/56/68/99/528566899.db2.gz AJJPECWDTQBQRY-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CCN(CCOCCNC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000412420517 528566902 /nfs/dbraw/zinc/56/69/02/528566902.db2.gz AJJPECWDTQBQRY-HOTGVXAUSA-N 2 1 354.495 0.156 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000410436003 528711511 /nfs/dbraw/zinc/71/15/11/528711511.db2.gz QZBPJTRUYXMISM-IRXDYDNUSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000410436003 528711516 /nfs/dbraw/zinc/71/15/16/528711516.db2.gz QZBPJTRUYXMISM-IRXDYDNUSA-N 2 1 368.522 0.354 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410704127 528739343 /nfs/dbraw/zinc/73/93/43/528739343.db2.gz YVUREPWFXDOLDQ-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410704127 528739345 /nfs/dbraw/zinc/73/93/45/528739345.db2.gz YVUREPWFXDOLDQ-SJORKVTESA-N 2 1 350.507 0.729 20 0 FCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410699785 528739380 /nfs/dbraw/zinc/73/93/80/528739380.db2.gz QWGBEJFIJKMRDT-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410699785 528739382 /nfs/dbraw/zinc/73/93/82/528739382.db2.gz QWGBEJFIJKMRDT-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410699785 528739383 /nfs/dbraw/zinc/73/93/83/528739383.db2.gz QWGBEJFIJKMRDT-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410699785 528739386 /nfs/dbraw/zinc/73/93/86/528739386.db2.gz QWGBEJFIJKMRDT-ROUUACIJSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000410472246 528887292 /nfs/dbraw/zinc/88/72/92/528887292.db2.gz RIWFNOWHUDHWAX-UHFFFAOYSA-N 2 1 370.538 0.479 20 0 FCADMP CC(C)[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCOCC1 ZINC000173911551 529007453 /nfs/dbraw/zinc/00/74/53/529007453.db2.gz CZSZNAHPSINDIZ-HNNXBMFYSA-N 2 1 352.483 0.923 20 0 FCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192019572 529099295 /nfs/dbraw/zinc/09/92/95/529099295.db2.gz YKQUYBNZJKFEHF-GJZGRUSLSA-N 2 1 362.540 0.141 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192019572 529099298 /nfs/dbraw/zinc/09/92/98/529099298.db2.gz YKQUYBNZJKFEHF-GJZGRUSLSA-N 2 1 362.540 0.141 20 0 FCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173919740 529148173 /nfs/dbraw/zinc/14/81/73/529148173.db2.gz WCKNNKHUFXCCTA-MRXNPFEDSA-N 2 1 365.526 0.840 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@@H+]1CCOC ZINC000410974078 529355042 /nfs/dbraw/zinc/35/50/42/529355042.db2.gz ISGKEBHNWYLPSV-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)CC[N@H+]1CCOC ZINC000410974078 529355044 /nfs/dbraw/zinc/35/50/44/529355044.db2.gz ISGKEBHNWYLPSV-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000410974078 529355046 /nfs/dbraw/zinc/35/50/46/529355046.db2.gz ISGKEBHNWYLPSV-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000410974078 529355048 /nfs/dbraw/zinc/35/50/48/529355048.db2.gz ISGKEBHNWYLPSV-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000419250625 535068752 /nfs/dbraw/zinc/06/87/52/535068752.db2.gz ZISZAFMRWMENJU-TZMCWYRMSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000419250625 535068762 /nfs/dbraw/zinc/06/87/62/535068762.db2.gz ZISZAFMRWMENJU-TZMCWYRMSA-N 2 1 352.504 0.710 20 0 FCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419973515 535069365 /nfs/dbraw/zinc/06/93/65/535069365.db2.gz JCMPPWOBIHITBO-IXDOHACOSA-N 2 1 367.538 0.103 20 0 FCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419158188 535076404 /nfs/dbraw/zinc/07/64/04/535076404.db2.gz WFGQHEMCWRTUJL-LPHOPBHVSA-N 2 1 352.523 0.977 20 0 FCADMP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCC1)[N@H+]1CCc2ccccc2C1 ZINC000419392591 535083514 /nfs/dbraw/zinc/08/35/14/535083514.db2.gz LNCSHEUQZQBBDW-UHFFFAOYSA-N 2 1 358.486 0.937 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419112496 535103000 /nfs/dbraw/zinc/10/30/00/535103000.db2.gz FYIJIVMIBPRSLW-APWZRJJASA-N 2 1 368.522 0.437 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000417551630 535170802 /nfs/dbraw/zinc/17/08/02/535170802.db2.gz OEVKURMRZVQKKC-HZPDHXFCSA-N 2 1 353.511 0.603 20 0 FCADMP CCCN(C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660095 535186761 /nfs/dbraw/zinc/18/67/61/535186761.db2.gz JNJQXJGOXWMJPT-WBVHZDCISA-N 2 1 366.506 0.299 20 0 FCADMP CCCN(C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000419386899 535189638 /nfs/dbraw/zinc/18/96/38/535189638.db2.gz DXYRMKLVDAKOGI-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CCCN(C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000419386899 535189641 /nfs/dbraw/zinc/18/96/41/535189641.db2.gz DXYRMKLVDAKOGI-GOSISDBHSA-N 2 1 358.486 0.761 20 0 FCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419282716 535218646 /nfs/dbraw/zinc/21/86/46/535218646.db2.gz IOSHZBXLEJKFIM-IAGOWNOFSA-N 2 1 368.522 0.579 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419761649 535298167 /nfs/dbraw/zinc/29/81/67/535298167.db2.gz KUSCZFUAJGKZDF-SJORKVTESA-N 2 1 368.522 0.579 20 0 FCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000419966664 535305778 /nfs/dbraw/zinc/30/57/78/535305778.db2.gz YWRCINFMKFVOBM-OAHLLOKOSA-N 2 1 356.511 0.293 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425322411 535475553 /nfs/dbraw/zinc/47/55/53/535475553.db2.gz TUYQDAOELWOLFH-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+](C)CCOC)C1 ZINC000425322411 535475549 /nfs/dbraw/zinc/47/55/49/535475549.db2.gz TUYQDAOELWOLFH-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425322411 535475555 /nfs/dbraw/zinc/47/55/55/535475555.db2.gz TUYQDAOELWOLFH-JKSUJKDBSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](CC[NH3+])C2)CC1=O ZINC000442618073 535551325 /nfs/dbraw/zinc/55/13/25/535551325.db2.gz NXHXBPXXHNTWBS-BRWVUGGUSA-N 2 1 350.507 0.907 20 0 FCADMP CCOC(=O)[C@@H]1NCC[C@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423522843 535578743 /nfs/dbraw/zinc/57/87/43/535578743.db2.gz HSNTUEYFDLZHOD-QZTJIDSGSA-N 2 1 360.502 0.863 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000423484593 535827411 /nfs/dbraw/zinc/82/74/11/535827411.db2.gz AAKCDKFMKMRNCW-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000423484593 535827423 /nfs/dbraw/zinc/82/74/23/535827423.db2.gz AAKCDKFMKMRNCW-CEXWTWQISA-N 2 1 370.497 0.787 20 0 FCADMP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419840678 535944039 /nfs/dbraw/zinc/94/40/39/535944039.db2.gz JAMZIQKUFSBLMH-MSOLQXFVSA-N 2 1 358.486 0.978 20 0 FCADMP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000419227982 535946014 /nfs/dbraw/zinc/94/60/14/535946014.db2.gz LOBWMLKTTAMUEI-DLBZAZTESA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423829563 536110179 /nfs/dbraw/zinc/11/01/79/536110179.db2.gz TXVONPXJKGGYCI-ROUUACIJSA-N 2 1 358.486 0.978 20 0 FCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423794010 536336675 /nfs/dbraw/zinc/33/66/75/536336675.db2.gz XIZAXTFJQKLQLE-HOCLYGCPSA-N 2 1 363.462 0.517 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503874 536367946 /nfs/dbraw/zinc/36/79/46/536367946.db2.gz INXXIYVVUIJYTP-IAGOWNOFSA-N 2 1 373.501 0.134 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000423615737 536368544 /nfs/dbraw/zinc/36/85/44/536368544.db2.gz VHNGIRLVSIWWGJ-GUDVDZBRSA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000419400135 536369112 /nfs/dbraw/zinc/36/91/12/536369112.db2.gz LHVHMLIVEZLFAI-KBAYOESNSA-N 2 1 358.486 0.834 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423657727 536433307 /nfs/dbraw/zinc/43/33/07/536433307.db2.gz ZPBFNDCXJRDKBS-ZWKOTPCHSA-N 2 1 358.486 0.917 20 0 FCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419878209 536433646 /nfs/dbraw/zinc/43/36/46/536433646.db2.gz YSEBXFDBXIIFJV-FUHWJXTLSA-N 2 1 358.486 0.820 20 0 FCADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423712385 536448990 /nfs/dbraw/zinc/44/89/90/536448990.db2.gz OEQVRCLMTZSNAV-QRVBRYPASA-N 2 1 370.497 0.787 20 0 FCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419926642 536450177 /nfs/dbraw/zinc/45/01/77/536450177.db2.gz BLTIZDQNKYTQQJ-NXHRZFHOSA-N 2 1 358.486 0.549 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419761525 536481422 /nfs/dbraw/zinc/48/14/22/536481422.db2.gz KJKAWXRSXVXVMU-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419765154 536481573 /nfs/dbraw/zinc/48/15/73/536481573.db2.gz QBJDJKZDDRWECK-MSOLQXFVSA-N 2 1 358.486 0.963 20 0 FCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424520140 536495620 /nfs/dbraw/zinc/49/56/20/536495620.db2.gz KLPOACDSBHRPKM-OAHLLOKOSA-N 2 1 354.495 0.062 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423450795 536774843 /nfs/dbraw/zinc/77/48/43/536774843.db2.gz UFVYLGXZFADWSZ-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423450796 536776043 /nfs/dbraw/zinc/77/60/43/536776043.db2.gz UFVYLGXZFADWSZ-MRXNPFEDSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC000948385916 674376312 /nfs/dbraw/zinc/37/63/12/674376312.db2.gz RGAVSMCOFWOIIZ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC000948385916 674376313 /nfs/dbraw/zinc/37/63/13/674376313.db2.gz RGAVSMCOFWOIIZ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)CC[NH+]1C ZINC000948385916 674376314 /nfs/dbraw/zinc/37/63/14/674376314.db2.gz RGAVSMCOFWOIIZ-DJIMGWMZSA-N 2 1 350.507 0.918 20 0 FCADMP CC(C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000591557571 546594491 /nfs/dbraw/zinc/59/44/91/546594491.db2.gz JTTVUIHWICRDCC-MRXNPFEDSA-N 2 1 353.511 0.570 20 0 FCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000332705708 546854742 /nfs/dbraw/zinc/85/47/42/546854742.db2.gz WAOOQZRFBUIALD-KZNAEPCWSA-N 2 1 353.507 0.837 20 0 FCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NCCCC[NH3+])cc[nH+]1 ZINC000418504818 546907066 /nfs/dbraw/zinc/90/70/66/546907066.db2.gz BFFBVEPCFPSRLZ-STQMWFEESA-N 2 1 353.446 0.498 20 0 FCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000550094193 547077143 /nfs/dbraw/zinc/07/71/43/547077143.db2.gz DUKUQFNCFSPZQF-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550094193 547077146 /nfs/dbraw/zinc/07/71/46/547077146.db2.gz DUKUQFNCFSPZQF-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550094193 547077150 /nfs/dbraw/zinc/07/71/50/547077150.db2.gz DUKUQFNCFSPZQF-MRXNPFEDSA-N 2 1 354.495 0.014 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCCC1 ZINC000550330371 547082555 /nfs/dbraw/zinc/08/25/55/547082555.db2.gz WVZBSZRVCHAWNT-UHFFFAOYSA-N 2 1 356.536 0.532 20 0 FCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550690546 547099148 /nfs/dbraw/zinc/09/91/48/547099148.db2.gz JHDKRCFDBZLTGV-YOEHRIQHSA-N 2 1 350.507 0.822 20 0 FCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000550838523 547110430 /nfs/dbraw/zinc/11/04/30/547110430.db2.gz HKRMVLWPCAJQJL-KRWDZBQOSA-N 2 1 356.536 0.340 20 0 FCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550838431 547110482 /nfs/dbraw/zinc/11/04/82/547110482.db2.gz HITIMYWZQRZKNN-WMLDXEAASA-N 2 1 356.536 0.340 20 0 FCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000551210839 547134235 /nfs/dbraw/zinc/13/42/35/547134235.db2.gz ABDPSOSVZBVLAH-YOEHRIQHSA-N 2 1 356.536 0.340 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000551278625 547139334 /nfs/dbraw/zinc/13/93/34/547139334.db2.gz SALOZDNGHCROLA-HZPDHXFCSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000551278625 547139340 /nfs/dbraw/zinc/13/93/40/547139340.db2.gz SALOZDNGHCROLA-HZPDHXFCSA-N 2 1 350.507 0.681 20 0 FCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000551278625 547139345 /nfs/dbraw/zinc/13/93/45/547139345.db2.gz SALOZDNGHCROLA-HZPDHXFCSA-N 2 1 350.507 0.681 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000551490140 547148126 /nfs/dbraw/zinc/14/81/26/547148126.db2.gz LLFSLLYHRQSTBD-ZACQAIPSSA-N 2 1 350.507 0.968 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704542 547226178 /nfs/dbraw/zinc/22/61/78/547226178.db2.gz LTMHLBUGUXKZKT-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000552704542 547226183 /nfs/dbraw/zinc/22/61/83/547226183.db2.gz LTMHLBUGUXKZKT-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000552704542 547226186 /nfs/dbraw/zinc/22/61/86/547226186.db2.gz LTMHLBUGUXKZKT-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000552704541 547226318 /nfs/dbraw/zinc/22/63/18/547226318.db2.gz LTMHLBUGUXKZKT-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000552704541 547226320 /nfs/dbraw/zinc/22/63/20/547226320.db2.gz LTMHLBUGUXKZKT-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000552704541 547226325 /nfs/dbraw/zinc/22/63/25/547226325.db2.gz LTMHLBUGUXKZKT-HZPDHXFCSA-N 2 1 354.495 0.060 20 0 FCADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000552769434 547232094 /nfs/dbraw/zinc/23/20/94/547232094.db2.gz DZUFHBFHVPPPLR-ODZFXCKXSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000553037939 547248531 /nfs/dbraw/zinc/24/85/31/547248531.db2.gz MLGIRJBDMDFTPW-GDBMZVCRSA-N 2 1 350.507 0.776 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000553093268 547253124 /nfs/dbraw/zinc/25/31/24/547253124.db2.gz AUCHGTOMZRAZNN-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000553093268 547253129 /nfs/dbraw/zinc/25/31/29/547253129.db2.gz AUCHGTOMZRAZNN-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000553093268 547253131 /nfs/dbraw/zinc/25/31/31/547253131.db2.gz AUCHGTOMZRAZNN-INIZCTEOSA-N 2 1 350.507 0.777 20 0 FCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C[C@H]1C ZINC000553372644 547274259 /nfs/dbraw/zinc/27/42/59/547274259.db2.gz ZSLMOJFKGPHFSS-PMPSAXMXSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@H]1C ZINC000553372644 547274262 /nfs/dbraw/zinc/27/42/62/547274262.db2.gz ZSLMOJFKGPHFSS-PMPSAXMXSA-N 2 1 354.495 0.155 20 0 FCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@H]1C ZINC000553372644 547274264 /nfs/dbraw/zinc/27/42/64/547274264.db2.gz ZSLMOJFKGPHFSS-PMPSAXMXSA-N 2 1 354.495 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713907 547385807 /nfs/dbraw/zinc/38/58/07/547385807.db2.gz MEZHTJAPJQNWTR-VXIBKDFQSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713907 547385813 /nfs/dbraw/zinc/38/58/13/547385813.db2.gz MEZHTJAPJQNWTR-VXIBKDFQSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713907 547385815 /nfs/dbraw/zinc/38/58/15/547385815.db2.gz MEZHTJAPJQNWTR-VXIBKDFQSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000488713907 547385819 /nfs/dbraw/zinc/38/58/19/547385819.db2.gz MEZHTJAPJQNWTR-VXIBKDFQSA-N 2 1 355.523 0.642 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)CC2)O1 ZINC000948541657 674380351 /nfs/dbraw/zinc/38/03/51/674380351.db2.gz HMMHWPPCJQTHQX-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)N(C)C)CC2)O1 ZINC000948541657 674380353 /nfs/dbraw/zinc/38/03/53/674380353.db2.gz HMMHWPPCJQTHQX-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)N(C)C)CC2)O1 ZINC000948541657 674380354 /nfs/dbraw/zinc/38/03/54/674380354.db2.gz HMMHWPPCJQTHQX-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)CC2)O1 ZINC000948541657 674380357 /nfs/dbraw/zinc/38/03/57/674380357.db2.gz HMMHWPPCJQTHQX-OWCLPIDISA-N 2 1 354.495 0.107 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000948965350 674391109 /nfs/dbraw/zinc/39/11/09/674391109.db2.gz DMCYOUWGEBBIDW-NVXWUHKLSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000949011190 674391973 /nfs/dbraw/zinc/39/19/73/674391973.db2.gz SPWMZHPSKDYPDI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000949011190 674391976 /nfs/dbraw/zinc/39/19/76/674391976.db2.gz SPWMZHPSKDYPDI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000949011190 674391978 /nfs/dbraw/zinc/39/19/78/674391978.db2.gz SPWMZHPSKDYPDI-OIISXLGYSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000949186998 674396803 /nfs/dbraw/zinc/39/68/03/674396803.db2.gz BBIZSMWBYJSKNC-DJIMGWMZSA-N 2 1 350.507 0.633 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+](C[C@H](C)O)CCO3)CC[N@H+]1C ZINC000949370322 674403010 /nfs/dbraw/zinc/40/30/10/674403010.db2.gz PHHCOOIDNBVYKX-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@H+](C[C@H](C)O)CCO3)CC[NH+]1C ZINC000949370322 674403011 /nfs/dbraw/zinc/40/30/11/674403011.db2.gz PHHCOOIDNBVYKX-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@@H+](C[C@H](C)O)CCO3)CC[NH+]1C ZINC000949370322 674403012 /nfs/dbraw/zinc/40/30/12/674403012.db2.gz PHHCOOIDNBVYKX-YESZJQIVSA-N 2 1 353.507 0.791 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000949887534 674415121 /nfs/dbraw/zinc/41/51/21/674415121.db2.gz YZXIQRHNOPICCF-ZACQAIPSSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000949943501 674416531 /nfs/dbraw/zinc/41/65/31/674416531.db2.gz CLULTJYWPLNWIV-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000950255328 674423512 /nfs/dbraw/zinc/42/35/12/674423512.db2.gz KYCVZRFXRSPARR-IXDOHACOSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000950798064 674439285 /nfs/dbraw/zinc/43/92/85/674439285.db2.gz UYZCPNWWOWAUEM-DJIMGWMZSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000951254777 674453658 /nfs/dbraw/zinc/45/36/58/674453658.db2.gz FPPISINPWAWLJC-HYVNUMGLSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)CC[N@H+]1C ZINC000954410900 674496727 /nfs/dbraw/zinc/49/67/27/674496727.db2.gz MTCJOIXOZKFCHE-MXASKKJJSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000954410900 674496728 /nfs/dbraw/zinc/49/67/28/674496728.db2.gz MTCJOIXOZKFCHE-MXASKKJJSA-N 2 1 350.507 0.726 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000954410900 674496731 /nfs/dbraw/zinc/49/67/31/674496731.db2.gz MTCJOIXOZKFCHE-MXASKKJJSA-N 2 1 350.507 0.726 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000954952162 674507510 /nfs/dbraw/zinc/50/75/10/674507510.db2.gz ANKHZAKDFGSMKL-GDBMZVCRSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000956379780 674522282 /nfs/dbraw/zinc/52/22/82/674522282.db2.gz YZOOVXJYKAKFRN-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000956379780 674522285 /nfs/dbraw/zinc/52/22/85/674522285.db2.gz YZOOVXJYKAKFRN-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000956379780 674522288 /nfs/dbraw/zinc/52/22/88/674522288.db2.gz YZOOVXJYKAKFRN-OWCLPIDISA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000956387058 674522504 /nfs/dbraw/zinc/52/25/04/674522504.db2.gz DHPZMYFLTYSSOS-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000956387058 674522506 /nfs/dbraw/zinc/52/25/06/674522506.db2.gz DHPZMYFLTYSSOS-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000956387058 674522508 /nfs/dbraw/zinc/52/25/08/674522508.db2.gz DHPZMYFLTYSSOS-BZUAXINKSA-N 2 1 350.507 0.776 20 0 FCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826034412 608509558 /nfs/dbraw/zinc/50/95/58/608509558.db2.gz QDHXPYVMZNVAIQ-KRWDZBQOSA-N 2 1 369.473 0.998 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000729617756 665736255 /nfs/dbraw/zinc/73/62/55/665736255.db2.gz GOXNTEXQFFIXDT-IXDOHACOSA-N 2 1 352.479 0.356 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000729617756 665736256 /nfs/dbraw/zinc/73/62/56/665736256.db2.gz GOXNTEXQFFIXDT-IXDOHACOSA-N 2 1 352.479 0.356 20 0 FCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000897918311 665782190 /nfs/dbraw/zinc/78/21/90/665782190.db2.gz BWHZMKXMDMDALR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000897918311 665782193 /nfs/dbraw/zinc/78/21/93/665782193.db2.gz BWHZMKXMDMDALR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC000897918311 665782196 /nfs/dbraw/zinc/78/21/96/665782196.db2.gz BWHZMKXMDMDALR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC000897918311 665782200 /nfs/dbraw/zinc/78/22/00/665782200.db2.gz BWHZMKXMDMDALR-HNNXBMFYSA-N 2 1 354.495 0.156 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COCC[C@H]1OC ZINC000898097796 665803381 /nfs/dbraw/zinc/80/33/81/665803381.db2.gz GYHMIIFJEQTFEY-BRWVUGGUSA-N 2 1 356.511 0.848 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000898722610 665904788 /nfs/dbraw/zinc/90/47/88/665904788.db2.gz SNIHHZNJPCEFAK-HNNXBMFYSA-N 2 1 350.467 0.268 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000898722610 665904790 /nfs/dbraw/zinc/90/47/90/665904790.db2.gz SNIHHZNJPCEFAK-HNNXBMFYSA-N 2 1 350.467 0.268 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000898722612 665904870 /nfs/dbraw/zinc/90/48/70/665904870.db2.gz SNIHHZNJPCEFAK-OAHLLOKOSA-N 2 1 350.467 0.268 20 0 FCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000898722612 665904871 /nfs/dbraw/zinc/90/48/71/665904871.db2.gz SNIHHZNJPCEFAK-OAHLLOKOSA-N 2 1 350.467 0.268 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891339470 663351968 /nfs/dbraw/zinc/35/19/68/663351968.db2.gz BUAXIECJFLEAPP-JSGCOSHPSA-N 2 1 365.444 0.791 20 0 FCADMP CN(C)CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891339472 663352005 /nfs/dbraw/zinc/35/20/05/663352005.db2.gz BUAXIECJFLEAPP-TZMCWYRMSA-N 2 1 365.444 0.791 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891356250 663358260 /nfs/dbraw/zinc/35/82/60/663358260.db2.gz HMBQHHGUGBEEGT-OAHLLOKOSA-N 2 1 361.481 0.948 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000971566239 663398013 /nfs/dbraw/zinc/39/80/13/663398013.db2.gz CGKANWQQUSSTAS-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC000971566239 663398014 /nfs/dbraw/zinc/39/80/14/663398014.db2.gz CGKANWQQUSSTAS-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)CC[NH+]1C ZINC000971566239 663398018 /nfs/dbraw/zinc/39/80/18/663398018.db2.gz CGKANWQQUSSTAS-IXDOHACOSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001022106452 663405555 /nfs/dbraw/zinc/40/55/55/663405555.db2.gz IQOGZHNGPDDEIH-LJISPDSOSA-N 2 1 350.463 0.103 20 0 FCADMP C[NH2+]C[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000891482586 663408959 /nfs/dbraw/zinc/40/89/59/663408959.db2.gz KITJWWOCWKTFMK-CVEARBPZSA-N 2 1 353.511 0.713 20 0 FCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000891513453 663410897 /nfs/dbraw/zinc/41/08/97/663410897.db2.gz CIPGULPBMJUUHN-HRCADAONSA-N 2 1 352.479 0.308 20 0 FCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)n1C ZINC000891654573 663423832 /nfs/dbraw/zinc/42/38/32/663423832.db2.gz KSSXMEGQDWQHPV-AWEZNQCLSA-N 2 1 350.467 0.444 20 0 FCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000891927880 663450753 /nfs/dbraw/zinc/45/07/53/663450753.db2.gz ZIQLNRRDMXAUEA-HNNXBMFYSA-N 2 1 353.511 0.570 20 0 FCADMP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891973720 663460083 /nfs/dbraw/zinc/46/00/83/663460083.db2.gz XIWYTDBDHCTDGO-DLBZAZTESA-N 2 1 353.511 0.224 20 0 FCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)CC[C@H]21 ZINC000892107640 663476956 /nfs/dbraw/zinc/47/69/56/663476956.db2.gz LVPVYQIDIBQSBH-MGPQQGTHSA-N 2 1 363.428 0.558 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21)[NH+](C)C ZINC001022737485 663507086 /nfs/dbraw/zinc/50/70/86/663507086.db2.gz LKQWYSCXJAHNFH-LUKYLMHMSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892283389 663521293 /nfs/dbraw/zinc/52/12/93/663521293.db2.gz XCBPPUFNJRRVAL-IXDOHACOSA-N 2 1 353.511 0.223 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001023376162 663620027 /nfs/dbraw/zinc/62/00/27/663620027.db2.gz XJVCANKYWPPEKM-JQHSSLGASA-N 2 1 353.507 0.554 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001024039000 663868120 /nfs/dbraw/zinc/86/81/20/663868120.db2.gz MFQUTAZESSPRIT-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCOCC3)C2)O1 ZINC001024039000 663868122 /nfs/dbraw/zinc/86/81/22/663868122.db2.gz MFQUTAZESSPRIT-BPQIPLTHSA-N 2 1 353.507 0.960 20 0 FCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000892481643 663961241 /nfs/dbraw/zinc/96/12/41/663961241.db2.gz RATAVSOBWQEEFR-CABCVRRESA-N 2 1 351.495 0.370 20 0 FCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935799772 664050612 /nfs/dbraw/zinc/05/06/12/664050612.db2.gz PQTHFEIGLSTUEH-INIZCTEOSA-N 2 1 354.495 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000973336132 664099366 /nfs/dbraw/zinc/09/93/66/664099366.db2.gz WWTBFERFMUVNKW-QUSNUVHPSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000973336132 664099368 /nfs/dbraw/zinc/09/93/68/664099368.db2.gz WWTBFERFMUVNKW-QUSNUVHPSA-N 2 1 350.507 0.964 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC000973336132 664099372 /nfs/dbraw/zinc/09/93/72/664099372.db2.gz WWTBFERFMUVNKW-QUSNUVHPSA-N 2 1 350.507 0.964 20 0 FCADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777331 664141292 /nfs/dbraw/zinc/14/12/92/664141292.db2.gz SABXEWGRWNQNPG-INIZCTEOSA-N 2 1 354.495 0.509 20 0 FCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892820848 664146529 /nfs/dbraw/zinc/14/65/29/664146529.db2.gz WRONKVPUKAXYMP-NCOADZHNSA-N 2 1 352.479 0.090 20 0 FCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000892859659 664150671 /nfs/dbraw/zinc/15/06/71/664150671.db2.gz XLPIRQHVRYYERG-UHFFFAOYSA-N 2 1 353.511 0.700 20 0 FCADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CCCC[N@H+]1CCO)C2 ZINC000892880036 664153100 /nfs/dbraw/zinc/15/31/00/664153100.db2.gz XYRIGOFDQYOAHG-GFCCVEGCSA-N 2 1 353.492 0.516 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892937231 664162234 /nfs/dbraw/zinc/16/22/34/664162234.db2.gz BSDMHQUOIRMQOQ-CVEARBPZSA-N 2 1 351.495 0.417 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000892937231 664162235 /nfs/dbraw/zinc/16/22/35/664162235.db2.gz BSDMHQUOIRMQOQ-CVEARBPZSA-N 2 1 351.495 0.417 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112422 664205959 /nfs/dbraw/zinc/20/59/59/664205959.db2.gz MVLTVAGBBKTMIZ-IXDOHACOSA-N 2 1 354.495 0.195 20 0 FCADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C[NH+]1CCOCC1 ZINC000893112422 664205960 /nfs/dbraw/zinc/20/59/60/664205960.db2.gz MVLTVAGBBKTMIZ-IXDOHACOSA-N 2 1 354.495 0.195 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974186297 664227178 /nfs/dbraw/zinc/22/71/78/664227178.db2.gz HHPFZKCFXJUPGY-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974186297 664227181 /nfs/dbraw/zinc/22/71/81/664227181.db2.gz HHPFZKCFXJUPGY-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974186297 664227183 /nfs/dbraw/zinc/22/71/83/664227183.db2.gz HHPFZKCFXJUPGY-UUAJXVIYSA-N 2 1 350.507 0.964 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC000959952533 674603213 /nfs/dbraw/zinc/60/32/13/674603213.db2.gz KZOXUCUYBJITMK-ZBRFXRBCSA-N 2 1 351.491 0.162 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)CC[N@H+]1C ZINC000974606711 664268582 /nfs/dbraw/zinc/26/85/82/664268582.db2.gz SRMXRLHFRJJJRI-KFWWJZLASA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974606711 664268584 /nfs/dbraw/zinc/26/85/84/664268584.db2.gz SRMXRLHFRJJJRI-KFWWJZLASA-N 2 1 351.495 0.178 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CCN3CCNC3=O)CC2(C)C)CC[NH+]1C ZINC000974606711 664268585 /nfs/dbraw/zinc/26/85/85/664268585.db2.gz SRMXRLHFRJJJRI-KFWWJZLASA-N 2 1 351.495 0.178 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)C1 ZINC000976697872 664395345 /nfs/dbraw/zinc/39/53/45/664395345.db2.gz GAXPFZXTVSVSGY-GVDBMIGSSA-N 2 1 350.507 0.968 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000978834015 664446938 /nfs/dbraw/zinc/44/69/38/664446938.db2.gz BYOACLHXZMDBOH-ZOFXXKQRSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000978834015 664446941 /nfs/dbraw/zinc/44/69/41/664446941.db2.gz BYOACLHXZMDBOH-ZOFXXKQRSA-N 2 1 350.507 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000978834015 664446943 /nfs/dbraw/zinc/44/69/43/664446943.db2.gz BYOACLHXZMDBOH-ZOFXXKQRSA-N 2 1 350.507 0.679 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000978875718 664448770 /nfs/dbraw/zinc/44/87/70/664448770.db2.gz RLCWGSWITWQOEV-NWHWRWDZSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000978875718 664448773 /nfs/dbraw/zinc/44/87/73/664448773.db2.gz RLCWGSWITWQOEV-NWHWRWDZSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC000978875718 664448777 /nfs/dbraw/zinc/44/87/77/664448777.db2.gz RLCWGSWITWQOEV-NWHWRWDZSA-N 2 1 350.507 0.678 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCN2CCCC2=O)CC[N@H+]1C ZINC001027894775 664472880 /nfs/dbraw/zinc/47/28/80/664472880.db2.gz PZGVHWXABJUAIU-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001027894775 664472882 /nfs/dbraw/zinc/47/28/82/664472882.db2.gz PZGVHWXABJUAIU-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCN2CCCC2=O)CC[NH+]1C ZINC001027894775 664472883 /nfs/dbraw/zinc/47/28/83/664472883.db2.gz PZGVHWXABJUAIU-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001027895498 664472890 /nfs/dbraw/zinc/47/28/90/664472890.db2.gz XAOMWVYQVTWLIK-RBSFLKMASA-N 2 1 350.463 0.056 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC000981194755 664817249 /nfs/dbraw/zinc/81/72/49/664817249.db2.gz VWYQJYPXAACLHX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC000981194755 664817251 /nfs/dbraw/zinc/81/72/51/664817251.db2.gz VWYQJYPXAACLHX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)CC2)CC[NH+]1C ZINC000981194755 664817253 /nfs/dbraw/zinc/81/72/53/664817253.db2.gz VWYQJYPXAACLHX-BRWVUGGUSA-N 2 1 350.507 0.777 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@H]2C1 ZINC000893739470 664872910 /nfs/dbraw/zinc/87/29/10/664872910.db2.gz BCIBADZUXNZJRQ-CYGHRXIMSA-N 2 1 350.507 0.957 20 0 FCADMP Cc1noc(C)c1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629311 664931020 /nfs/dbraw/zinc/93/10/20/664931020.db2.gz JCFPQNOEDKAOSQ-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629311 664931021 /nfs/dbraw/zinc/93/10/21/664931021.db2.gz JCFPQNOEDKAOSQ-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629311 664931023 /nfs/dbraw/zinc/93/10/23/664931023.db2.gz JCFPQNOEDKAOSQ-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629311 664931024 /nfs/dbraw/zinc/93/10/24/664931024.db2.gz JCFPQNOEDKAOSQ-ISTRZQFTSA-N 2 1 350.463 0.949 20 0 FCADMP Cn1nc(Br)nc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000894241130 664932151 /nfs/dbraw/zinc/93/21/51/664932151.db2.gz HNUYSIYYRCCOJF-UHFFFAOYSA-N 2 1 359.316 0.941 20 0 FCADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924958495 664945065 /nfs/dbraw/zinc/94/50/65/664945065.db2.gz LNSQTDMRZPDUNC-MRXNPFEDSA-N 2 1 374.595 0.910 20 0 FCADMP COCCC[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000726908539 664965996 /nfs/dbraw/zinc/96/59/96/664965996.db2.gz ZWOUMLCNMYCGMI-UHFFFAOYSA-N 2 1 358.552 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)[C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985440020 665167326 /nfs/dbraw/zinc/16/73/26/665167326.db2.gz CRXWAYMROJPXCN-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)[C@@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000985440020 665167327 /nfs/dbraw/zinc/16/73/27/665167327.db2.gz CRXWAYMROJPXCN-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCCN(C)C3=O)CC2)CC[NH+]1C ZINC000985440020 665167328 /nfs/dbraw/zinc/16/73/28/665167328.db2.gz CRXWAYMROJPXCN-DJIMGWMZSA-N 2 1 350.507 0.870 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000985492194 665171094 /nfs/dbraw/zinc/17/10/94/665171094.db2.gz UTSJHGAIEKJEBH-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000888169352 665284947 /nfs/dbraw/zinc/28/49/47/665284947.db2.gz HNDPEGRIPHFEAK-JKSUJKDBSA-N 2 1 353.511 0.868 20 0 FCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897480356 665292267 /nfs/dbraw/zinc/29/22/67/665292267.db2.gz XMEWPTGIGCJRLP-MRXNPFEDSA-N 2 1 353.511 0.666 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000988782212 665314195 /nfs/dbraw/zinc/31/41/95/665314195.db2.gz FXYATLVUBCNJIB-PVAVHDDUSA-N 2 1 350.507 0.918 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C[C@@]1(O)CCOC1 ZINC000905024974 666003123 /nfs/dbraw/zinc/00/31/23/666003123.db2.gz LGTUEUBLBHHGGL-MOPGFXCFSA-N 2 1 350.459 0.511 20 0 FCADMP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C[C@@]1(O)CCOC1 ZINC000905024975 666003222 /nfs/dbraw/zinc/00/32/22/666003222.db2.gz LGTUEUBLBHHGGL-OALUTQOASA-N 2 1 350.459 0.511 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905090374 666004101 /nfs/dbraw/zinc/00/41/01/666004101.db2.gz SGFSOQZXAMCULN-SJORKVTESA-N 2 1 355.523 0.965 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905090374 666004102 /nfs/dbraw/zinc/00/41/02/666004102.db2.gz SGFSOQZXAMCULN-SJORKVTESA-N 2 1 355.523 0.965 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[C@@]1(O)CCOC1 ZINC000905202684 666011946 /nfs/dbraw/zinc/01/19/46/666011946.db2.gz HOJOJSNSCQJLBY-QRVBRYPASA-N 2 1 350.459 0.245 20 0 FCADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[C@]1(O)CCOC1 ZINC000905202681 666012002 /nfs/dbraw/zinc/01/20/02/666012002.db2.gz HOJOJSNSCQJLBY-GUDVDZBRSA-N 2 1 350.459 0.245 20 0 FCADMP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000906412091 666052938 /nfs/dbraw/zinc/05/29/38/666052938.db2.gz RTZBCDFYKAGOFZ-SOLBZPMBSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C2CN(C)CC[NH+](C)C2)C[C@H](C)O1 ZINC000906412091 666052939 /nfs/dbraw/zinc/05/29/39/666052939.db2.gz RTZBCDFYKAGOFZ-SOLBZPMBSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C2CN(C)CC[NH+](C)C2)C[C@H](C)O1 ZINC000906412091 666052940 /nfs/dbraw/zinc/05/29/40/666052940.db2.gz RTZBCDFYKAGOFZ-SOLBZPMBSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H](C)O1 ZINC000906412091 666052941 /nfs/dbraw/zinc/05/29/41/666052941.db2.gz RTZBCDFYKAGOFZ-SOLBZPMBSA-N 2 1 352.523 0.580 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000906412091 666052942 /nfs/dbraw/zinc/05/29/42/666052942.db2.gz RTZBCDFYKAGOFZ-SOLBZPMBSA-N 2 1 352.523 0.580 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000907515696 666140690 /nfs/dbraw/zinc/14/06/90/666140690.db2.gz CLYOGPYLQXLHAR-MSOLQXFVSA-N 2 1 354.539 0.706 20 0 FCADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000907602881 666146753 /nfs/dbraw/zinc/14/67/53/666146753.db2.gz FZEHJVGIWBZAFN-QGZVFWFLSA-N 2 1 354.539 0.706 20 0 FCADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908204024 666194646 /nfs/dbraw/zinc/19/46/46/666194646.db2.gz UDOWBSXPVYABTG-ZGUYJTEBSA-N 2 1 351.491 0.545 20 0 FCADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000908541719 666211315 /nfs/dbraw/zinc/21/13/15/666211315.db2.gz VMJADBIPCLBXOG-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000908541719 666211317 /nfs/dbraw/zinc/21/13/17/666211317.db2.gz VMJADBIPCLBXOG-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000908541719 666211319 /nfs/dbraw/zinc/21/13/19/666211319.db2.gz VMJADBIPCLBXOG-SFHVURJKSA-N 2 1 354.539 0.756 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CC(C)C)C1 ZINC000910893843 666289505 /nfs/dbraw/zinc/28/95/05/666289505.db2.gz SMEIXIIYRMDBLV-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000910893843 666289506 /nfs/dbraw/zinc/28/95/06/666289506.db2.gz SMEIXIIYRMDBLV-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000910893843 666289509 /nfs/dbraw/zinc/28/95/09/666289509.db2.gz SMEIXIIYRMDBLV-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000910893843 666289511 /nfs/dbraw/zinc/28/95/11/666289511.db2.gz SMEIXIIYRMDBLV-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000910893843 666289514 /nfs/dbraw/zinc/28/95/14/666289514.db2.gz SMEIXIIYRMDBLV-SJORKVTESA-N 2 1 352.523 0.975 20 0 FCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCCO1 ZINC000910982066 666301701 /nfs/dbraw/zinc/30/17/01/666301701.db2.gz AFGFAHKSFXQTNK-CVEARBPZSA-N 2 1 354.495 0.252 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC000938681395 666477298 /nfs/dbraw/zinc/47/72/98/666477298.db2.gz MEGNFTFMFQQRAW-BZUAXINKSA-N 2 1 350.507 0.870 20 0 FCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940288694 666544540 /nfs/dbraw/zinc/54/45/40/666544540.db2.gz YCMSZZGYVGMIJK-BFYDXBDKSA-N 2 1 350.507 0.776 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000992090213 666618109 /nfs/dbraw/zinc/61/81/09/666618109.db2.gz RFHHOMISARMSIN-RHSMWYFYSA-N 2 1 350.507 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC000992162547 666621293 /nfs/dbraw/zinc/62/12/93/666621293.db2.gz OOSPDEDXHJQQLE-SJJHQCBESA-N 2 1 350.507 0.824 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992320177 666633163 /nfs/dbraw/zinc/63/31/63/666633163.db2.gz UNERBHKSCSLFDY-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992320177 666633166 /nfs/dbraw/zinc/63/31/66/666633166.db2.gz UNERBHKSCSLFDY-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992320177 666633168 /nfs/dbraw/zinc/63/31/68/666633168.db2.gz UNERBHKSCSLFDY-DJIMGWMZSA-N 2 1 350.507 0.917 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447951702 666825975 /nfs/dbraw/zinc/82/59/75/666825975.db2.gz NMVHNSWMEPDNPC-HZPDHXFCSA-N 2 1 352.479 0.086 20 0 FCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447951702 666825977 /nfs/dbraw/zinc/82/59/77/666825977.db2.gz NMVHNSWMEPDNPC-HZPDHXFCSA-N 2 1 352.479 0.086 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995949153 666896349 /nfs/dbraw/zinc/89/63/49/666896349.db2.gz BRRONLDMIWOUIH-KYOSRNDESA-N 2 1 367.519 0.892 20 0 FCADMP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995949153 666896351 /nfs/dbraw/zinc/89/63/51/666896351.db2.gz BRRONLDMIWOUIH-KYOSRNDESA-N 2 1 367.519 0.892 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCCCC3)CC2)CC[N@H+]1C ZINC000996601481 666942883 /nfs/dbraw/zinc/94/28/83/666942883.db2.gz CMNGIGJSKGNHCY-NVXWUHKLSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCC[NH+]3CC)C2)CC[N@H+]1C ZINC000993882309 666946001 /nfs/dbraw/zinc/94/60/01/666946001.db2.gz CXCYLZSAQWFDHD-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC[NH+]1C ZINC000993882309 666946004 /nfs/dbraw/zinc/94/60/04/666946004.db2.gz CXCYLZSAQWFDHD-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC[NH+]1C ZINC000993882309 666946008 /nfs/dbraw/zinc/94/60/08/666946008.db2.gz CXCYLZSAQWFDHD-BBWFWOEESA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC3CCS(=O)(=O)CC3)CC2)CC[N@H+]1C ZINC000996605161 666946288 /nfs/dbraw/zinc/94/62/88/666946288.db2.gz BJMZPODMMNKWIT-RHSMWYFYSA-N 2 1 371.547 0.732 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994041157 666959759 /nfs/dbraw/zinc/95/97/59/666959759.db2.gz XSBBQQLYOXSAJD-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000994041157 666959764 /nfs/dbraw/zinc/95/97/64/666959764.db2.gz XSBBQQLYOXSAJD-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000994041157 666959766 /nfs/dbraw/zinc/95/97/66/666959766.db2.gz XSBBQQLYOXSAJD-OWCLPIDISA-N 2 1 350.507 0.633 20 0 FCADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996712392 666963660 /nfs/dbraw/zinc/96/36/60/666963660.db2.gz NPAALHAJMPTBBZ-CZUORRHYSA-N 2 1 350.467 0.098 20 0 FCADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996712392 666963662 /nfs/dbraw/zinc/96/36/62/666963662.db2.gz NPAALHAJMPTBBZ-CZUORRHYSA-N 2 1 350.467 0.098 20 0 FCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000734487876 666968830 /nfs/dbraw/zinc/96/88/30/666968830.db2.gz YGLCYBJPKWKWGD-QGZVFWFLSA-N 2 1 366.531 0.588 20 0 FCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000734487876 666968831 /nfs/dbraw/zinc/96/88/31/666968831.db2.gz YGLCYBJPKWKWGD-QGZVFWFLSA-N 2 1 366.531 0.588 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997176131 667121953 /nfs/dbraw/zinc/12/19/53/667121953.db2.gz JAEJYJTYCIEART-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997176131 667121954 /nfs/dbraw/zinc/12/19/54/667121954.db2.gz JAEJYJTYCIEART-IIAWOOMASA-N 2 1 354.495 0.010 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC[N@H+]1C ZINC001002261096 667527309 /nfs/dbraw/zinc/52/73/09/667527309.db2.gz VKMGRKBBRRZSRS-BBWFWOEESA-N 2 1 352.523 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC[NH+]1C ZINC001002259201 667528671 /nfs/dbraw/zinc/52/86/71/667528671.db2.gz ZTGDPHOFYRFFJV-GVDBMIGSSA-N 2 1 350.507 0.776 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595291 667675730 /nfs/dbraw/zinc/67/57/30/667675730.db2.gz RDTLLBAJEZKQSN-UUAJXVIYSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595291 667675733 /nfs/dbraw/zinc/67/57/33/667675733.db2.gz RDTLLBAJEZKQSN-UUAJXVIYSA-N 2 1 350.507 0.761 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595291 667675735 /nfs/dbraw/zinc/67/57/35/667675735.db2.gz RDTLLBAJEZKQSN-UUAJXVIYSA-N 2 1 350.507 0.761 20 0 FCADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033292242 667726941 /nfs/dbraw/zinc/72/69/41/667726941.db2.gz RUCIEJJTCOIQGM-ZACQAIPSSA-N 2 1 355.479 0.045 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001033836402 667739014 /nfs/dbraw/zinc/73/90/14/667739014.db2.gz BJEBBQAJHNYXBU-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001033836402 667739019 /nfs/dbraw/zinc/73/90/19/667739019.db2.gz BJEBBQAJHNYXBU-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001033836402 667739021 /nfs/dbraw/zinc/73/90/21/667739021.db2.gz BJEBBQAJHNYXBU-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001033836402 667739024 /nfs/dbraw/zinc/73/90/24/667739024.db2.gz BJEBBQAJHNYXBU-YESZJQIVSA-N 2 1 350.507 0.872 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001034214803 667749418 /nfs/dbraw/zinc/74/94/18/667749418.db2.gz QVABESUFNZBLRT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001034214803 667749419 /nfs/dbraw/zinc/74/94/19/667749419.db2.gz QVABESUFNZBLRT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001034214803 667749421 /nfs/dbraw/zinc/74/94/21/667749421.db2.gz QVABESUFNZBLRT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001034214803 667749422 /nfs/dbraw/zinc/74/94/22/667749422.db2.gz QVABESUFNZBLRT-IXDOHACOSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)N(C)C)C3)CC2)CC[N@H+]1C ZINC001035187077 667775491 /nfs/dbraw/zinc/77/54/91/667775491.db2.gz OOPFCBHKFVHSCA-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)CC[NH+]1C ZINC001035187077 667775492 /nfs/dbraw/zinc/77/54/92/667775492.db2.gz OOPFCBHKFVHSCA-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)CC[NH+]1C ZINC001035187077 667775495 /nfs/dbraw/zinc/77/54/95/667775495.db2.gz OOPFCBHKFVHSCA-HZPDHXFCSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923323577 667825265 /nfs/dbraw/zinc/82/52/65/667825265.db2.gz JXPYONANDQJOLT-DOTOQJQBSA-N 2 1 350.507 0.430 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000946907471 667840522 /nfs/dbraw/zinc/84/05/22/667840522.db2.gz CJMYMSQVUBAXPQ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000946907471 667840523 /nfs/dbraw/zinc/84/05/23/667840523.db2.gz CJMYMSQVUBAXPQ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000946907471 667840525 /nfs/dbraw/zinc/84/05/25/667840525.db2.gz CJMYMSQVUBAXPQ-BFYDXBDKSA-N 2 1 350.507 0.918 20 0 FCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001006187318 667856898 /nfs/dbraw/zinc/85/68/98/667856898.db2.gz OWVRFDMRYCFXKM-IIAWOOMASA-N 2 1 350.507 0.774 20 0 FCADMP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000761123336 667878486 /nfs/dbraw/zinc/87/84/86/667878486.db2.gz KYLLHJFJPNXYHI-QGZVFWFLSA-N 2 1 352.523 0.724 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000764500901 667985445 /nfs/dbraw/zinc/98/54/45/667985445.db2.gz ASJHCROHMNHUEL-HZPDHXFCSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000764500901 667985446 /nfs/dbraw/zinc/98/54/46/667985446.db2.gz ASJHCROHMNHUEL-HZPDHXFCSA-N 2 1 367.563 0.584 20 0 FCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000764500901 667985448 /nfs/dbraw/zinc/98/54/48/667985448.db2.gz ASJHCROHMNHUEL-HZPDHXFCSA-N 2 1 367.563 0.584 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448705 669173921 /nfs/dbraw/zinc/17/39/21/669173921.db2.gz UWGDSUUCMGTTGL-OAHLLOKOSA-N 2 1 374.551 0.621 20 0 FCADMP CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448705 669173923 /nfs/dbraw/zinc/17/39/23/669173923.db2.gz UWGDSUUCMGTTGL-OAHLLOKOSA-N 2 1 374.551 0.621 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN(C)C(=O)OC ZINC000822789392 669294667 /nfs/dbraw/zinc/29/46/67/669294667.db2.gz GLLUSZFERSXUKP-HNNXBMFYSA-N 2 1 357.499 0.742 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000808775556 669586214 /nfs/dbraw/zinc/58/62/14/669586214.db2.gz DPQGFOXVFBWDET-NVXWUHKLSA-N 2 1 361.552 0.825 20 0 FCADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000808775556 669586217 /nfs/dbraw/zinc/58/62/17/669586217.db2.gz DPQGFOXVFBWDET-NVXWUHKLSA-N 2 1 361.552 0.825 20 0 FCADMP COC(=O)[C@]1(C)CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000840186269 669645457 /nfs/dbraw/zinc/64/54/57/669645457.db2.gz YDZHDIAIXXWBCD-MRXNPFEDSA-N 2 1 352.435 0.235 20 0 FCADMP COC(=O)[C@]1(C)CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000840186269 669645460 /nfs/dbraw/zinc/64/54/60/669645460.db2.gz YDZHDIAIXXWBCD-MRXNPFEDSA-N 2 1 352.435 0.235 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)CC1 ZINC000810040862 669658360 /nfs/dbraw/zinc/65/83/60/669658360.db2.gz YCFPIBKCKVWEBV-INIZCTEOSA-N 2 1 352.479 0.894 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)CC1 ZINC000810040862 669658362 /nfs/dbraw/zinc/65/83/62/669658362.db2.gz YCFPIBKCKVWEBV-INIZCTEOSA-N 2 1 352.479 0.894 20 0 FCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816547664 669963686 /nfs/dbraw/zinc/96/36/86/669963686.db2.gz DQTZIQUWBRZOTO-CQSZACIVSA-N 2 1 354.495 0.996 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000964939243 675077120 /nfs/dbraw/zinc/07/71/20/675077120.db2.gz CIJIIFJQVPVOHW-BRWVUGGUSA-N 2 1 350.507 0.920 20 0 FCADMP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841229738 670542454 /nfs/dbraw/zinc/54/24/54/670542454.db2.gz JQUYRIDSBKXIRK-NSHDSACASA-N 2 1 353.854 0.494 20 0 FCADMP CCCCOC(=O)CC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842476650 670692949 /nfs/dbraw/zinc/69/29/49/670692949.db2.gz DIKWTJWZAYYBHU-HOTGVXAUSA-N 2 1 352.479 0.940 20 0 FCADMP C[C@@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1[NH3+] ZINC000843353500 670803897 /nfs/dbraw/zinc/80/38/97/670803897.db2.gz KJDGZSDWVSBLCG-OLZOCXBDSA-N 2 1 351.451 0.332 20 0 FCADMP CC[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000843356000 670805239 /nfs/dbraw/zinc/80/52/39/670805239.db2.gz AHUOAQQGRDZJHN-UHFFFAOYSA-N 2 1 350.463 0.759 20 0 FCADMP CC[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000843356000 670805257 /nfs/dbraw/zinc/80/52/57/670805257.db2.gz AHUOAQQGRDZJHN-UHFFFAOYSA-N 2 1 350.463 0.759 20 0 FCADMP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000843386623 670810642 /nfs/dbraw/zinc/81/06/42/670810642.db2.gz KJBIJPWYCQGALR-ZDUSSCGKSA-N 2 1 351.451 0.332 20 0 FCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000843386623 670810645 /nfs/dbraw/zinc/81/06/45/670810645.db2.gz KJBIJPWYCQGALR-ZDUSSCGKSA-N 2 1 351.451 0.332 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC000967980867 675167838 /nfs/dbraw/zinc/16/78/38/675167838.db2.gz WANPEWQCHMMIOT-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC000967980867 675167839 /nfs/dbraw/zinc/16/78/39/675167839.db2.gz WANPEWQCHMMIOT-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC000967980867 675167842 /nfs/dbraw/zinc/16/78/42/675167842.db2.gz WANPEWQCHMMIOT-HYVNUMGLSA-N 2 1 350.507 0.728 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000846224078 671091690 /nfs/dbraw/zinc/09/16/90/671091690.db2.gz CPLQCNLLGBIHMX-KSSFIOAISA-N 2 1 352.479 0.784 20 0 FCADMP CCOC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000846224078 671091695 /nfs/dbraw/zinc/09/16/95/671091695.db2.gz CPLQCNLLGBIHMX-KSSFIOAISA-N 2 1 352.479 0.784 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000849052373 671316458 /nfs/dbraw/zinc/31/64/58/671316458.db2.gz UZIVAKQEWKQVIY-RRFJBIMHSA-N 2 1 359.540 0.693 20 0 FCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)CC)CC1 ZINC000849081757 671317025 /nfs/dbraw/zinc/31/70/25/671317025.db2.gz CAAOOILBDYZLRH-HNNXBMFYSA-N 2 1 359.540 0.646 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103094 671317946 /nfs/dbraw/zinc/31/79/46/671317946.db2.gz GYXABMRVQKUPKK-MRXNPFEDSA-N 3 1 352.527 0.577 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccns4)C[C@@H]3C2)O1 ZINC001048890470 675906304 /nfs/dbraw/zinc/90/63/04/675906304.db2.gz IQVLVRNSGVVPMV-PNBKFKSVSA-N 2 1 364.515 0.795 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccns4)C[C@@H]3C2)O1 ZINC001048890470 675906306 /nfs/dbraw/zinc/90/63/06/675906306.db2.gz IQVLVRNSGVVPMV-PNBKFKSVSA-N 2 1 364.515 0.795 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4ccns4)C[C@@H]3C2)O1 ZINC001048890470 675906307 /nfs/dbraw/zinc/90/63/07/675906307.db2.gz IQVLVRNSGVVPMV-PNBKFKSVSA-N 2 1 364.515 0.795 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4ccns4)C[C@@H]3C2)O1 ZINC001048890470 675906310 /nfs/dbraw/zinc/90/63/10/675906310.db2.gz IQVLVRNSGVVPMV-PNBKFKSVSA-N 2 1 364.515 0.795 20 0 FCADMP CON(CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000856013933 671674117 /nfs/dbraw/zinc/67/41/17/671674117.db2.gz BPWZXLVBSDUIGA-HZPDHXFCSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000856013933 671674118 /nfs/dbraw/zinc/67/41/18/671674118.db2.gz BPWZXLVBSDUIGA-HZPDHXFCSA-N 2 1 354.495 0.851 20 0 FCADMP CON(CCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000856013933 671674119 /nfs/dbraw/zinc/67/41/19/671674119.db2.gz BPWZXLVBSDUIGA-HZPDHXFCSA-N 2 1 354.495 0.851 20 0 FCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)CC1 ZINC000857113032 671717310 /nfs/dbraw/zinc/71/73/10/671717310.db2.gz NUGDCIBWVRSZKH-HNNXBMFYSA-N 2 1 353.511 0.700 20 0 FCADMP CC(C)CNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510260 675935753 /nfs/dbraw/zinc/93/57/53/675935753.db2.gz FNKQGCFCVYVFMH-IYBDPMFKSA-N 2 1 351.495 0.369 20 0 FCADMP C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000903511404 675936021 /nfs/dbraw/zinc/93/60/21/675936021.db2.gz RSABTAKVGCNRGG-AHCXZYCDSA-N 2 1 350.507 0.523 20 0 FCADMP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740156 675965750 /nfs/dbraw/zinc/96/57/50/675965750.db2.gz DYKPRZSUKBGUQR-ZHALLVOQSA-N 2 1 350.507 0.384 20 0 FCADMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865531291 672244346 /nfs/dbraw/zinc/24/43/46/672244346.db2.gz MYALOVPUHBRKAR-KRWDZBQOSA-N 2 1 350.511 0.963 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CC(=O)NC)C3)C2)CC[N@H+]1C ZINC001054133402 676000935 /nfs/dbraw/zinc/00/09/35/676000935.db2.gz BYZRHZSWALFOMN-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)CC[NH+]1C ZINC001054133402 676000939 /nfs/dbraw/zinc/00/09/39/676000939.db2.gz BYZRHZSWALFOMN-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(=O)NC)C3)C2)CC[NH+]1C ZINC001054133402 676000942 /nfs/dbraw/zinc/00/09/42/676000942.db2.gz BYZRHZSWALFOMN-FRQCXROJSA-N 2 1 350.507 0.777 20 0 FCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC000868285355 672392219 /nfs/dbraw/zinc/39/22/19/672392219.db2.gz IAFVUQOZTJSEAC-MRXNPFEDSA-N 2 1 353.511 0.129 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868353481 672395320 /nfs/dbraw/zinc/39/53/20/672395320.db2.gz CNDVMFLHBFNCPF-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP COCC[N@H+](C)CCCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868353481 672395322 /nfs/dbraw/zinc/39/53/22/672395322.db2.gz CNDVMFLHBFNCPF-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP COCC[N@@H+](C)CCCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868353481 672395324 /nfs/dbraw/zinc/39/53/24/672395324.db2.gz CNDVMFLHBFNCPF-UHFFFAOYSA-N 2 1 355.527 0.376 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)COC)CC2)CC[N@H+]1C ZINC001055496059 676021591 /nfs/dbraw/zinc/02/15/91/676021591.db2.gz BDEADIHJXOVWIN-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP CS[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055528958 676022466 /nfs/dbraw/zinc/02/24/66/676022466.db2.gz LAUFRYXGVLTHCQ-IIAWOOMASA-N 2 1 370.563 0.775 20 0 FCADMP CS[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055528958 676022470 /nfs/dbraw/zinc/02/24/70/676022470.db2.gz LAUFRYXGVLTHCQ-IIAWOOMASA-N 2 1 370.563 0.775 20 0 FCADMP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055534349 676022841 /nfs/dbraw/zinc/02/28/41/676022841.db2.gz GTUDWUYWEIDWPB-IJEWVQPXSA-N 2 1 354.495 0.058 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)CC[NH+](C)C)CC[N@H+]1C ZINC001056426728 676045537 /nfs/dbraw/zinc/04/55/37/676045537.db2.gz LGVIZALQEWQPKP-NCOADZHNSA-N 2 1 350.507 0.870 20 0 FCADMP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000875132987 672836462 /nfs/dbraw/zinc/83/64/62/672836462.db2.gz GMANHQKXILNQHO-MRXNPFEDSA-N 2 1 350.507 0.966 20 0 FCADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)CC1(O)CCCCC1 ZINC000878337435 673055142 /nfs/dbraw/zinc/05/51/42/673055142.db2.gz CDKSJPGXKFXABF-QGZVFWFLSA-N 2 1 356.507 0.592 20 0 FCADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622971 676106741 /nfs/dbraw/zinc/10/67/41/676106741.db2.gz AYERDMCUHKLJHH-FVQBIDKESA-N 2 1 350.463 0.949 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000881621754 673233100 /nfs/dbraw/zinc/23/31/00/673233100.db2.gz FMSATLJHDSAWJW-HNNXBMFYSA-N 2 1 352.479 0.040 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC000881621754 673233103 /nfs/dbraw/zinc/23/31/03/673233103.db2.gz FMSATLJHDSAWJW-HNNXBMFYSA-N 2 1 352.479 0.040 20 0 FCADMP C[C@@H](C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[NH+]1CCSCC1 ZINC000881623667 673233396 /nfs/dbraw/zinc/23/33/96/673233396.db2.gz OLKYYTOMGPOJPP-HNNXBMFYSA-N 2 1 368.547 0.756 20 0 FCADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883036108 673364132 /nfs/dbraw/zinc/36/41/32/673364132.db2.gz ZXRHPFDDSSUSGC-QGZVFWFLSA-N 2 1 354.495 0.651 20 0 FCADMP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230572 673440287 /nfs/dbraw/zinc/44/02/87/673440287.db2.gz VDWIQDCANUIVGE-WMLDXEAASA-N 2 1 351.447 0.758 20 0 FCADMP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000884230572 673440290 /nfs/dbraw/zinc/44/02/90/673440290.db2.gz VDWIQDCANUIVGE-WMLDXEAASA-N 2 1 351.447 0.758 20 0 FCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000884545602 673461060 /nfs/dbraw/zinc/46/10/60/673461060.db2.gz MGJVXYAEGLFSTC-UHFFFAOYSA-N 2 1 363.849 0.949 20 0 FCADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1=CC[N@@H+](C)CC1 ZINC000884623512 673466913 /nfs/dbraw/zinc/46/69/13/673466913.db2.gz FWMPUSVELCETGH-UHTWSYAYSA-N 2 1 362.396 0.349 20 0 FCADMP C[C@@H](NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000884623798 673466950 /nfs/dbraw/zinc/46/69/50/673466950.db2.gz OWVSJAUHLUHSBV-KUHUBIRLSA-N 2 1 350.507 0.977 20 0 FCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884658844 673470444 /nfs/dbraw/zinc/47/04/44/673470444.db2.gz AGXJBLYIGZLTNQ-NWDGAFQWSA-N 2 1 352.401 0.430 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000926166212 673814481 /nfs/dbraw/zinc/81/44/81/673814481.db2.gz VAULERSZFAFKDS-RXYDEIHYSA-N 2 1 353.507 0.551 20 0 FCADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927633465 673871307 /nfs/dbraw/zinc/87/13/07/673871307.db2.gz BVLJUQMZQLMUJW-HYVNUMGLSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927633465 673871311 /nfs/dbraw/zinc/87/13/11/673871311.db2.gz BVLJUQMZQLMUJW-HYVNUMGLSA-N 2 1 354.495 0.336 20 0 FCADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927633465 673871315 /nfs/dbraw/zinc/87/13/15/673871315.db2.gz BVLJUQMZQLMUJW-HYVNUMGLSA-N 2 1 354.495 0.336 20 0 FCADMP C[NH+]1CC[C@H]1CNC(=O)CCC1(CCC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928552511 673919363 /nfs/dbraw/zinc/91/93/63/673919363.db2.gz VGPOMVOMXHLRBK-IYBDPMFKSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CCC1(CCC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928552511 673919364 /nfs/dbraw/zinc/91/93/64/673919364.db2.gz VGPOMVOMXHLRBK-IYBDPMFKSA-N 2 1 350.507 0.968 20 0 FCADMP C[NH+]1CC[C@@H]1CNC(=O)CCC1(CCC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928552511 673919366 /nfs/dbraw/zinc/91/93/66/673919366.db2.gz VGPOMVOMXHLRBK-IYBDPMFKSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000929735410 673974025 /nfs/dbraw/zinc/97/40/25/673974025.db2.gz ZPFYMMDVTUPDCJ-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000929735410 673974026 /nfs/dbraw/zinc/97/40/26/673974026.db2.gz ZPFYMMDVTUPDCJ-QGZVFWFLSA-N 2 1 350.507 0.968 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014486042 675391267 /nfs/dbraw/zinc/39/12/67/675391267.db2.gz ZFPMFFBXQVWIHQ-RBSFLKMASA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014486042 675391269 /nfs/dbraw/zinc/39/12/69/675391269.db2.gz ZFPMFFBXQVWIHQ-RBSFLKMASA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486042 675391272 /nfs/dbraw/zinc/39/12/72/675391272.db2.gz ZFPMFFBXQVWIHQ-RBSFLKMASA-N 2 1 352.504 0.749 20 0 FCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486042 675391275 /nfs/dbraw/zinc/39/12/75/675391275.db2.gz ZFPMFFBXQVWIHQ-RBSFLKMASA-N 2 1 352.504 0.749 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001014506190 675391814 /nfs/dbraw/zinc/39/18/14/675391814.db2.gz FWRYGMOOYHKAPX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001014506190 675391815 /nfs/dbraw/zinc/39/18/15/675391815.db2.gz FWRYGMOOYHKAPX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001014506190 675391816 /nfs/dbraw/zinc/39/18/16/675391816.db2.gz FWRYGMOOYHKAPX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)CC[NH+]1C ZINC001014506190 675391817 /nfs/dbraw/zinc/39/18/17/675391817.db2.gz FWRYGMOOYHKAPX-YESZJQIVSA-N 2 1 350.507 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001014510044 675391844 /nfs/dbraw/zinc/39/18/44/675391844.db2.gz VAJWYOLDSYUIAF-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001014510044 675391845 /nfs/dbraw/zinc/39/18/45/675391845.db2.gz VAJWYOLDSYUIAF-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014510044 675391846 /nfs/dbraw/zinc/39/18/46/675391846.db2.gz VAJWYOLDSYUIAF-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)CC[NH+]1C ZINC001014510044 675391847 /nfs/dbraw/zinc/39/18/47/675391847.db2.gz VAJWYOLDSYUIAF-IXDOHACOSA-N 2 1 371.547 0.732 20 0 FCADMP CCc1noc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019031140 675420017 /nfs/dbraw/zinc/42/00/17/675420017.db2.gz GLCOVBXZWITQHE-HACGYAERSA-N 2 1 350.463 0.955 20 0 FCADMP CCc1noc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019031140 675420020 /nfs/dbraw/zinc/42/00/20/675420020.db2.gz GLCOVBXZWITQHE-HACGYAERSA-N 2 1 350.463 0.955 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020171285 675436008 /nfs/dbraw/zinc/43/60/08/675436008.db2.gz VKHRDKQJIZLEMQ-OXGONZEZSA-N 2 1 357.520 0.388 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001020174785 675436458 /nfs/dbraw/zinc/43/64/58/675436458.db2.gz QQPMAYWYARUGGU-QUSNUVHPSA-N 2 1 371.547 0.778 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)CC[N@H+]1C ZINC001020372709 675442106 /nfs/dbraw/zinc/44/21/06/675442106.db2.gz FXFOFHTVZYFHBX-WTTBNOFXSA-N 2 1 350.507 0.774 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)sn1 ZINC001045090564 675650124 /nfs/dbraw/zinc/65/01/24/675650124.db2.gz AFQDDIHEQYIMGW-VNHYZAJKSA-N 2 1 368.503 0.951 20 0 FCADMP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)sn1 ZINC001045090564 675650127 /nfs/dbraw/zinc/65/01/27/675650127.db2.gz AFQDDIHEQYIMGW-VNHYZAJKSA-N 2 1 368.503 0.951 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900732574 675711367 /nfs/dbraw/zinc/71/13/67/675711367.db2.gz MPAQBKUHOMLNAH-FGTMMUONSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900732574 675711370 /nfs/dbraw/zinc/71/13/70/675711370.db2.gz MPAQBKUHOMLNAH-FGTMMUONSA-N 2 1 350.507 0.526 20 0 FCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900732574 675711374 /nfs/dbraw/zinc/71/13/74/675711374.db2.gz MPAQBKUHOMLNAH-FGTMMUONSA-N 2 1 350.507 0.526 20 0 FCADMP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047383873 675795481 /nfs/dbraw/zinc/79/54/81/675795481.db2.gz KPTUYMRXTSRCPC-OWSLCNJRSA-N 2 1 353.507 0.647 20 0 FCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902543035 675858814 /nfs/dbraw/zinc/85/88/14/675858814.db2.gz OSBQGTFLXGSRCN-HNNXBMFYSA-N 2 1 351.495 0.622 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2cnc[nH]2)CC[N@H+]1C ZINC000969235328 1167831464 /nfs/dbraw/zinc/83/14/64/1167831464.db2.gz AQKUQBFPDJQEDX-MXASKKJJSA-N 2 1 359.474 0.884 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+]CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC001167095760 1168203309 /nfs/dbraw/zinc/20/33/09/1168203309.db2.gz JGVNRGQAGAIMMM-MSOLQXFVSA-N 2 1 356.474 0.719 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969950153 1168231100 /nfs/dbraw/zinc/23/11/00/1168231100.db2.gz UDDGGWCEDAAPAE-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC000969950153 1168231111 /nfs/dbraw/zinc/23/11/11/1168231111.db2.gz UDDGGWCEDAAPAE-HLLBOEOZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(CC(=O)N2CCCCC2)C1 ZINC000969958189 1168234517 /nfs/dbraw/zinc/23/45/17/1168234517.db2.gz JNBUSRJXKGDEJL-BFYDXBDKSA-N 2 1 366.506 0.155 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970043313 1168303701 /nfs/dbraw/zinc/30/37/01/1168303701.db2.gz XSXBGVZQZVUTGP-QRQLOZEOSA-N 2 1 368.485 0.851 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NC(C)(C)C ZINC001691019762 1168407004 /nfs/dbraw/zinc/40/70/04/1168407004.db2.gz HDXQZIRYRBQPAC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NC(C)(C)C ZINC001691019762 1168407009 /nfs/dbraw/zinc/40/70/09/1168407009.db2.gz HDXQZIRYRBQPAC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC(=O)NC(C)(C)C ZINC001691019762 1168407011 /nfs/dbraw/zinc/40/70/11/1168407011.db2.gz HDXQZIRYRBQPAC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC(=O)NC(C)(C)C ZINC001691019762 1168407015 /nfs/dbraw/zinc/40/70/15/1168407015.db2.gz HDXQZIRYRBQPAC-ZIAGYGMSSA-N 2 1 369.510 0.389 20 0 FCADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112481471 1168509981 /nfs/dbraw/zinc/50/99/81/1168509981.db2.gz NMRWKPVECNNHIH-JOQVEUFWSA-N 2 1 363.502 0.450 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccnn2C)O1 ZINC001021297001 1168958787 /nfs/dbraw/zinc/95/87/87/1168958787.db2.gz GTUIBOHSSPTGMN-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccnn2C)O1 ZINC001021297001 1168958809 /nfs/dbraw/zinc/95/88/09/1168958809.db2.gz GTUIBOHSSPTGMN-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccnn2C)O1 ZINC001021297001 1168958830 /nfs/dbraw/zinc/95/88/30/1168958830.db2.gz GTUIBOHSSPTGMN-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccnn2C)O1 ZINC001021297001 1168958851 /nfs/dbraw/zinc/95/88/51/1168958851.db2.gz GTUIBOHSSPTGMN-RNIUXLFRSA-N 2 1 361.490 0.751 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1O ZINC000970635923 1169220267 /nfs/dbraw/zinc/22/02/67/1169220267.db2.gz KCOGISATXPHXGR-XYPHTWIQSA-N 2 1 371.441 0.120 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000970635171 1169233179 /nfs/dbraw/zinc/23/31/79/1169233179.db2.gz CGJRKRXSEUBFOE-BBWFWOEESA-N 2 1 366.506 0.035 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104289279 1169431995 /nfs/dbraw/zinc/43/19/95/1169431995.db2.gz IVYJDRKZDNHURA-BFYDXBDKSA-N 2 1 366.506 0.189 20 0 FCADMP CN(C)C(=O)CN1CCO[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001279477115 1170046227 /nfs/dbraw/zinc/04/62/27/1170046227.db2.gz HPSCDMHNOZYAHA-FQEVSTJZSA-N 2 1 366.550 0.973 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104345113 1170125057 /nfs/dbraw/zinc/12/50/57/1170125057.db2.gz BCKMZLMPPKOPSS-KLHDSHLOSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104345113 1170125066 /nfs/dbraw/zinc/12/50/66/1170125066.db2.gz BCKMZLMPPKOPSS-KLHDSHLOSA-N 2 1 364.494 0.108 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104354264 1170346043 /nfs/dbraw/zinc/34/60/43/1170346043.db2.gz YDWCTYPNAFUZCS-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104355299 1170369247 /nfs/dbraw/zinc/36/92/47/1170369247.db2.gz WAHCYTUKQJZEKA-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP Cn1ccnc1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC000971568590 1170541253 /nfs/dbraw/zinc/54/12/53/1170541253.db2.gz WIFZRGOTORFAKJ-OWCLPIDISA-N 2 1 359.474 0.506 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211512 1170754214 /nfs/dbraw/zinc/75/42/14/1170754214.db2.gz SCQXFXJXDZLLAO-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211512 1170754217 /nfs/dbraw/zinc/75/42/17/1170754217.db2.gz SCQXFXJXDZLLAO-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[NH+](CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211512 1170754220 /nfs/dbraw/zinc/75/42/20/1170754220.db2.gz SCQXFXJXDZLLAO-SOLBZPMBSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CCC1 ZINC001022217617 1170766258 /nfs/dbraw/zinc/76/62/58/1170766258.db2.gz RVVJRGPHASLIBI-DOTOQJQBSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1nc(C)n(CC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971777456 1170824889 /nfs/dbraw/zinc/82/48/89/1170824889.db2.gz BLZNFJJBOHOIHG-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971777456 1170824894 /nfs/dbraw/zinc/82/48/94/1170824894.db2.gz BLZNFJJBOHOIHG-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971777456 1170824896 /nfs/dbraw/zinc/82/48/96/1170824896.db2.gz BLZNFJJBOHOIHG-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971777456 1170824897 /nfs/dbraw/zinc/82/48/97/1170824897.db2.gz BLZNFJJBOHOIHG-KBRIMQKVSA-N 2 1 364.494 0.147 20 0 FCADMP C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1=CC[N@@H+](C)CC1 ZINC000891766108 1170850784 /nfs/dbraw/zinc/85/07/84/1170850784.db2.gz RJJRAAOINCOZIE-MIGQKNRLSA-N 2 1 363.462 0.213 20 0 FCADMP Cn1nnc(CN[C@@H]2CC[C@H](CNC(=O)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC001691273141 1171010835 /nfs/dbraw/zinc/01/08/35/1171010835.db2.gz IZHPUQQULPYQQZ-DLBZAZTESA-N 2 1 371.489 0.717 20 0 FCADMP Cn1nnc(CN[C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC001691273141 1171010846 /nfs/dbraw/zinc/01/08/46/1171010846.db2.gz IZHPUQQULPYQQZ-DLBZAZTESA-N 2 1 371.489 0.717 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001691382009 1171239865 /nfs/dbraw/zinc/23/98/65/1171239865.db2.gz DKLPLNYCSUVZJS-IKGGRYGDSA-N 2 1 368.522 0.260 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001691384597 1171251513 /nfs/dbraw/zinc/25/15/13/1171251513.db2.gz YCBOIFZGTFNDEC-ILXRZTDVSA-N 2 1 369.510 0.387 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970228 1171356005 /nfs/dbraw/zinc/35/60/05/1171356005.db2.gz JEBMJWFCEGNBIZ-WMZOPIPTSA-N 2 1 373.501 0.486 20 0 FCADMP C[C@]1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC000892060897 1171540943 /nfs/dbraw/zinc/54/09/43/1171540943.db2.gz VNMHOLXDLLZAMS-MJGOQNOKSA-N 2 1 367.538 0.472 20 0 FCADMP CC[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1)OC ZINC001083236008 1171544898 /nfs/dbraw/zinc/54/48/98/1171544898.db2.gz HBRIHIKDIDVEBR-BPQIPLTHSA-N 2 1 369.506 0.434 20 0 FCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000892262625 1171844890 /nfs/dbraw/zinc/84/48/90/1171844890.db2.gz DPMAXYBYLVBDSK-DOTOQJQBSA-N 2 1 365.522 0.713 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000972255579 1171889011 /nfs/dbraw/zinc/88/90/11/1171889011.db2.gz WCMFLENEPIDGSD-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000972255579 1171889014 /nfs/dbraw/zinc/88/90/14/1171889014.db2.gz WCMFLENEPIDGSD-USXIJHARSA-N 2 1 359.474 0.735 20 0 FCADMP Cn1cncc1CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC001083248558 1172008281 /nfs/dbraw/zinc/00/82/81/1172008281.db2.gz MUHCBBSFWYEVJP-FGTMMUONSA-N 2 1 362.474 0.833 20 0 FCADMP Cc1ncccc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249576 1172024596 /nfs/dbraw/zinc/02/45/96/1172024596.db2.gz LPUYGTQVXSRFGC-ZWKOTPCHSA-N 2 1 356.470 0.897 20 0 FCADMP Cc1ncccc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249576 1172024599 /nfs/dbraw/zinc/02/45/99/1172024599.db2.gz LPUYGTQVXSRFGC-ZWKOTPCHSA-N 2 1 356.470 0.897 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001059976908 1192837643 /nfs/dbraw/zinc/83/76/43/1192837643.db2.gz VUGLETFHIZNPRF-BRWVUGGUSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000898010339 1192853544 /nfs/dbraw/zinc/85/35/44/1192853544.db2.gz BZXPTZJBFLCXGD-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@H](NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000898010339 1192853546 /nfs/dbraw/zinc/85/35/46/1192853546.db2.gz BZXPTZJBFLCXGD-IRXDYDNUSA-N 2 1 368.522 0.546 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000898069729 1192856614 /nfs/dbraw/zinc/85/66/14/1192856614.db2.gz VDRGOOSMXSYEFA-IAGOWNOFSA-N 2 1 373.501 0.967 20 0 FCADMP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001691554534 1192874387 /nfs/dbraw/zinc/87/43/87/1192874387.db2.gz LUFSVASBMHFTJL-OWCLPIDISA-N 2 1 356.486 0.583 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C[C@H]21 ZINC000972607892 1179972728 /nfs/dbraw/zinc/97/27/28/1179972728.db2.gz DDWCFNNEMSILDW-OWCLPIDISA-N 2 1 359.474 0.886 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972648254 1180186055 /nfs/dbraw/zinc/18/60/55/1180186055.db2.gz DWSLEOJFJOBUAU-JFIYKMOQSA-N 2 1 359.474 0.591 20 0 FCADMP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC001023741783 1180208637 /nfs/dbraw/zinc/20/86/37/1180208637.db2.gz BEWVPMWFHTXKOR-RBSFLKMASA-N 2 1 365.478 0.035 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024039369 1180806524 /nfs/dbraw/zinc/80/65/24/1180806524.db2.gz VJDJCAAOUPNJMG-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1ccnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024039369 1180806529 /nfs/dbraw/zinc/80/65/29/1180806529.db2.gz VJDJCAAOUPNJMG-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CCc2cncn2C)CC[N@H+]1C ZINC001067535721 1181751054 /nfs/dbraw/zinc/75/10/54/1181751054.db2.gz DEIDPZNMWJAMLJ-NVXWUHKLSA-N 2 1 363.506 1.000 20 0 FCADMP Cc1nccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083275506 1181849732 /nfs/dbraw/zinc/84/97/32/1181849732.db2.gz HRDVAXRBRBXPTP-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083275506 1181849740 /nfs/dbraw/zinc/84/97/40/1181849740.db2.gz HRDVAXRBRBXPTP-OKZBNKHCSA-N 2 1 362.474 0.920 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972992955 1181860592 /nfs/dbraw/zinc/86/05/92/1181860592.db2.gz SHTQGYZPUBAFMV-CGTJXYLNSA-N 2 1 362.518 0.729 20 0 FCADMP COCCCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111984071 1182029555 /nfs/dbraw/zinc/02/95/55/1182029555.db2.gz YSRLZKSCRNTETD-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984071 1182029560 /nfs/dbraw/zinc/02/95/60/1182029560.db2.gz YSRLZKSCRNTETD-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984071 1182029565 /nfs/dbraw/zinc/02/95/65/1182029565.db2.gz YSRLZKSCRNTETD-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111984071 1182029573 /nfs/dbraw/zinc/02/95/73/1182029573.db2.gz YSRLZKSCRNTETD-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111984071 1182029579 /nfs/dbraw/zinc/02/95/79/1182029579.db2.gz YSRLZKSCRNTETD-BXWFABGCSA-N 2 1 366.506 0.062 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC000973330647 1182240291 /nfs/dbraw/zinc/24/02/91/1182240291.db2.gz SOXOBMJGXKIVDB-QBPKDAKJSA-N 2 1 362.518 0.966 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104580841 1182246240 /nfs/dbraw/zinc/24/62/40/1182246240.db2.gz JKPATCVBXVUFDR-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001104580841 1182246246 /nfs/dbraw/zinc/24/62/46/1182246246.db2.gz JKPATCVBXVUFDR-ZACQAIPSSA-N 2 1 368.522 0.258 20 0 FCADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892685592 1182276874 /nfs/dbraw/zinc/27/68/74/1182276874.db2.gz ALTUVSSKWARCSB-ROUUACIJSA-N 2 1 368.522 0.728 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001104680735 1182361760 /nfs/dbraw/zinc/36/17/60/1182361760.db2.gz WLURBELYMAFMSC-LZLYRXPVSA-N 2 1 364.534 0.929 20 0 FCADMP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211649244 1182432187 /nfs/dbraw/zinc/43/21/87/1182432187.db2.gz YEKOAMFJJMNLDT-FCGDIQPGSA-N 2 1 361.486 0.672 20 0 FCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000892766723 1182490957 /nfs/dbraw/zinc/49/09/57/1182490957.db2.gz NJQUHMCEPGCUAH-IXDOHACOSA-N 2 1 368.522 0.896 20 0 FCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000892766723 1182490967 /nfs/dbraw/zinc/49/09/67/1182490967.db2.gz NJQUHMCEPGCUAH-IXDOHACOSA-N 2 1 368.522 0.896 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001025789671 1182839261 /nfs/dbraw/zinc/83/92/61/1182839261.db2.gz VNZSYYJYSNFNFX-IGERKEGBSA-N 2 1 365.518 0.815 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025792939 1182844446 /nfs/dbraw/zinc/84/44/46/1182844446.db2.gz PBFAPWUTPGAMKF-MHMDBQTNSA-N 2 1 362.518 0.820 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025792939 1182844449 /nfs/dbraw/zinc/84/44/49/1182844449.db2.gz PBFAPWUTPGAMKF-MHMDBQTNSA-N 2 1 362.518 0.820 20 0 FCADMP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025792939 1182844451 /nfs/dbraw/zinc/84/44/51/1182844451.db2.gz PBFAPWUTPGAMKF-MHMDBQTNSA-N 2 1 362.518 0.820 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818455 1182859920 /nfs/dbraw/zinc/85/99/20/1182859920.db2.gz SODDDFPBLOYBRX-FSPSIFDESA-N 2 1 365.518 0.957 20 0 FCADMP CO[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818455 1182859922 /nfs/dbraw/zinc/85/99/22/1182859922.db2.gz SODDDFPBLOYBRX-FSPSIFDESA-N 2 1 365.518 0.957 20 0 FCADMP CO[C@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818455 1182859925 /nfs/dbraw/zinc/85/99/25/1182859925.db2.gz SODDDFPBLOYBRX-FSPSIFDESA-N 2 1 365.518 0.957 20 0 FCADMP CO[C@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CCCC1 ZINC001025818455 1182859926 /nfs/dbraw/zinc/85/99/26/1182859926.db2.gz SODDDFPBLOYBRX-FSPSIFDESA-N 2 1 365.518 0.957 20 0 FCADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1ccn(C)n1 ZINC001104794944 1182923710 /nfs/dbraw/zinc/92/37/10/1182923710.db2.gz JKYLJPATSNEXAT-IAGOWNOFSA-N 2 1 363.506 0.717 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104874219 1182969132 /nfs/dbraw/zinc/96/91/32/1182969132.db2.gz PMOURKNZPLCFKY-KURKYZTESA-N 2 1 365.522 0.660 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104872762 1182969570 /nfs/dbraw/zinc/96/95/70/1182969570.db2.gz ZAGDYKMBZRKMLJ-IAGOWNOFSA-N 2 1 370.538 0.555 20 0 FCADMP CCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001104908219 1182991431 /nfs/dbraw/zinc/99/14/31/1182991431.db2.gz NTJCVIANOAYEOD-HUUCEWRRSA-N 2 1 367.494 0.784 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104932789 1183007058 /nfs/dbraw/zinc/00/70/58/1183007058.db2.gz ODRRQIDVSVXPJH-HUUCEWRRSA-N 2 1 366.510 0.415 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104938133 1183011761 /nfs/dbraw/zinc/01/17/61/1183011761.db2.gz PZZNKAQABWWUCO-SJLPKXTDSA-N 2 1 370.538 0.555 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CN(CC)CCO3)C2)CC[N@H+]1C ZINC000974190832 1183042341 /nfs/dbraw/zinc/04/23/41/1183042341.db2.gz JTKPAWIXVFVYTI-NNXHMXCWSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@@H+]1C ZINC000974190832 1183042348 /nfs/dbraw/zinc/04/23/48/1183042348.db2.gz JTKPAWIXVFVYTI-NNXHMXCWSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)CC[N@H+]1C ZINC000974190832 1183042355 /nfs/dbraw/zinc/04/23/55/1183042355.db2.gz JTKPAWIXVFVYTI-NNXHMXCWSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC[NH+]1C ZINC000974190832 1183042360 /nfs/dbraw/zinc/04/23/60/1183042360.db2.gz JTKPAWIXVFVYTI-NNXHMXCWSA-N 2 1 366.506 0.201 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC[NH+]1C ZINC000974190832 1183042368 /nfs/dbraw/zinc/04/23/68/1183042368.db2.gz JTKPAWIXVFVYTI-NNXHMXCWSA-N 2 1 366.506 0.201 20 0 FCADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974224660 1183059739 /nfs/dbraw/zinc/05/97/39/1183059739.db2.gz AHXNHNPKGSZNJF-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000974224660 1183059744 /nfs/dbraw/zinc/05/97/44/1183059744.db2.gz AHXNHNPKGSZNJF-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974224660 1183059751 /nfs/dbraw/zinc/05/97/51/1183059751.db2.gz AHXNHNPKGSZNJF-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974224660 1183059759 /nfs/dbraw/zinc/05/97/59/1183059759.db2.gz AHXNHNPKGSZNJF-UHDSXZAQSA-N 2 1 366.506 0.343 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001105013871 1183068135 /nfs/dbraw/zinc/06/81/35/1183068135.db2.gz YEASBBYQTJFGGN-GDBMZVCRSA-N 2 1 361.490 0.887 20 0 FCADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066906 1183100463 /nfs/dbraw/zinc/10/04/63/1183100463.db2.gz GBRVVMDLTKXYLA-QLFBSQMISA-N 2 1 369.510 0.245 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCOC)nn3)C2)CC[N@H+]1C ZINC001105244025 1183151274 /nfs/dbraw/zinc/15/12/74/1183151274.db2.gz OBJSXXFTWXXGIB-DLBZAZTESA-N 2 1 364.494 0.518 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)CCn4ccnc4)C[C@H]32)C1 ZINC000974574998 1183343354 /nfs/dbraw/zinc/34/33/54/1183343354.db2.gz APDOTACUWZCFPQ-GVDBMIGSSA-N 2 1 359.474 0.674 20 0 FCADMP O=C(Cn1ccnc1)N1CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)[C@@H]2C1 ZINC000974633388 1183396427 /nfs/dbraw/zinc/39/64/27/1183396427.db2.gz IBTFPTKXNBGLFM-NVXWUHKLSA-N 2 1 364.409 0.904 20 0 FCADMP CC(C)n1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001026916371 1183490525 /nfs/dbraw/zinc/49/05/25/1183490525.db2.gz GOVRLKZIRGZOIO-OWCLPIDISA-N 2 1 364.494 0.516 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001026915687 1183490613 /nfs/dbraw/zinc/49/06/13/1183490613.db2.gz UVJFAYQQTOQYGJ-RVKKMQEKSA-N 2 1 361.490 0.487 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)O1 ZINC001026915687 1183490618 /nfs/dbraw/zinc/49/06/18/1183490618.db2.gz UVJFAYQQTOQYGJ-RVKKMQEKSA-N 2 1 361.490 0.487 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722712 1183499637 /nfs/dbraw/zinc/49/96/37/1183499637.db2.gz GDUJJSUCNPZOOF-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722712 1183499651 /nfs/dbraw/zinc/49/96/51/1183499651.db2.gz GDUJJSUCNPZOOF-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722712 1183499667 /nfs/dbraw/zinc/49/96/67/1183499667.db2.gz GDUJJSUCNPZOOF-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCc3ccnn3C)CC2(C)C)O1 ZINC000974722712 1183499683 /nfs/dbraw/zinc/49/96/83/1183499683.db2.gz GDUJJSUCNPZOOF-OIISXLGYSA-N 2 1 363.506 0.508 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975201433 1183760959 /nfs/dbraw/zinc/76/09/59/1183760959.db2.gz BXPWQFKBDWYNOO-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC000975201433 1183760967 /nfs/dbraw/zinc/76/09/67/1183760967.db2.gz BXPWQFKBDWYNOO-USXIJHARSA-N 2 1 359.474 0.593 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)CC[N@H+]1C ZINC000975737534 1185666273 /nfs/dbraw/zinc/66/62/73/1185666273.db2.gz WQYBKHYXGTUKIT-XDNAFOTISA-N 2 1 374.529 0.872 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975820630 1185817974 /nfs/dbraw/zinc/81/79/74/1185817974.db2.gz ICNHNKOLINEOKK-IRXDYDNUSA-N 2 1 371.485 0.737 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000978845366 1186013394 /nfs/dbraw/zinc/01/33/94/1186013394.db2.gz HQSDSZNWCHNOPK-YGTYDBBMSA-N 2 1 362.518 0.679 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC000979045744 1186047552 /nfs/dbraw/zinc/04/75/52/1186047552.db2.gz KBUYHONMNOCFLV-VVLHAWIVSA-N 2 1 362.518 0.824 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979863499 1186127537 /nfs/dbraw/zinc/12/75/37/1186127537.db2.gz NOJIPPFNIBRWDC-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000979863499 1186127541 /nfs/dbraw/zinc/12/75/41/1186127541.db2.gz NOJIPPFNIBRWDC-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000979863499 1186127546 /nfs/dbraw/zinc/12/75/46/1186127546.db2.gz NOJIPPFNIBRWDC-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000979863499 1186127553 /nfs/dbraw/zinc/12/75/53/1186127553.db2.gz NOJIPPFNIBRWDC-WRQOLXDDSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCN2CCCC2=O)O1 ZINC001027966412 1186241675 /nfs/dbraw/zinc/24/16/75/1186241675.db2.gz PKQSMSXXELXUTK-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCN2CCCC2=O)O1 ZINC001027966412 1186241682 /nfs/dbraw/zinc/24/16/82/1186241682.db2.gz PKQSMSXXELXUTK-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCN2CCCC2=O)O1 ZINC001027966412 1186241687 /nfs/dbraw/zinc/24/16/87/1186241687.db2.gz PKQSMSXXELXUTK-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCN2CCCC2=O)O1 ZINC001027966412 1186241692 /nfs/dbraw/zinc/24/16/92/1186241692.db2.gz PKQSMSXXELXUTK-BRWVUGGUSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966591 1186242286 /nfs/dbraw/zinc/24/22/86/1186242286.db2.gz RMXOBMYJWKXEIU-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966591 1186242304 /nfs/dbraw/zinc/24/23/04/1186242304.db2.gz RMXOBMYJWKXEIU-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966591 1186242309 /nfs/dbraw/zinc/24/23/09/1186242309.db2.gz RMXOBMYJWKXEIU-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001027966591 1186242314 /nfs/dbraw/zinc/24/23/14/1186242314.db2.gz RMXOBMYJWKXEIU-DJIMGWMZSA-N 2 1 362.474 0.185 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784975 1186520916 /nfs/dbraw/zinc/52/09/16/1186520916.db2.gz YVRNDMCGUYRHCZ-YESZJQIVSA-N 2 1 362.518 0.825 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306589 1186728982 /nfs/dbraw/zinc/72/89/82/1186728982.db2.gz URKPDTQHMTYWSU-MXQZZYIMSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306589 1186728988 /nfs/dbraw/zinc/72/89/88/1186728988.db2.gz URKPDTQHMTYWSU-MXQZZYIMSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306589 1186728990 /nfs/dbraw/zinc/72/89/90/1186728990.db2.gz URKPDTQHMTYWSU-MXQZZYIMSA-N 2 1 366.506 0.140 20 0 FCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306589 1186728993 /nfs/dbraw/zinc/72/89/93/1186728993.db2.gz URKPDTQHMTYWSU-MXQZZYIMSA-N 2 1 366.506 0.140 20 0 FCADMP CN1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+](C)CC1 ZINC000888994247 1187462277 /nfs/dbraw/zinc/46/22/77/1187462277.db2.gz ZZHFZVANVUJNFH-LJQANCHMSA-N 2 1 359.518 0.999 20 0 FCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000894109373 1187552584 /nfs/dbraw/zinc/55/25/84/1187552584.db2.gz OQYLZDSOLBYTQZ-OTWHNJEPSA-N 2 1 358.486 0.956 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000894109373 1187552588 /nfs/dbraw/zinc/55/25/88/1187552588.db2.gz OQYLZDSOLBYTQZ-OTWHNJEPSA-N 2 1 358.486 0.956 20 0 FCADMP C[NH+]1C[C@H]2CN(C(=O)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000894109373 1187552592 /nfs/dbraw/zinc/55/25/92/1187552592.db2.gz OQYLZDSOLBYTQZ-OTWHNJEPSA-N 2 1 358.486 0.956 20 0 FCADMP COc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083372708 1187693422 /nfs/dbraw/zinc/69/34/22/1187693422.db2.gz BIDZPWOSPFDLFZ-QRVBRYPASA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083372708 1187693426 /nfs/dbraw/zinc/69/34/26/1187693426.db2.gz BIDZPWOSPFDLFZ-QRVBRYPASA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083372708 1187693429 /nfs/dbraw/zinc/69/34/29/1187693429.db2.gz BIDZPWOSPFDLFZ-QRVBRYPASA-N 2 1 361.486 0.883 20 0 FCADMP COc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083372708 1187693433 /nfs/dbraw/zinc/69/34/33/1187693433.db2.gz BIDZPWOSPFDLFZ-QRVBRYPASA-N 2 1 361.486 0.883 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629110 1187757316 /nfs/dbraw/zinc/75/73/16/1187757316.db2.gz GQTWGMUWWNNBIT-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C)n(CC[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629110 1187757320 /nfs/dbraw/zinc/75/73/20/1187757320.db2.gz GQTWGMUWWNNBIT-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629110 1187757322 /nfs/dbraw/zinc/75/73/22/1187757322.db2.gz GQTWGMUWWNNBIT-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629110 1187757327 /nfs/dbraw/zinc/75/73/27/1187757327.db2.gz GQTWGMUWWNNBIT-KZNAEPCWSA-N 2 1 363.506 0.657 20 0 FCADMP CN(CC(=O)N1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1)C(N)=[NH2+] ZINC001269992738 1187962559 /nfs/dbraw/zinc/96/25/59/1187962559.db2.gz WYSDRJXIYVKQGF-UHFFFAOYSA-N 2 1 360.462 0.427 20 0 FCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@@H]1CCC[NH+](C)C1)C2 ZINC000894788559 1188250792 /nfs/dbraw/zinc/25/07/92/1188250792.db2.gz SNWXZNYBPQWPJS-NPYXIHBLSA-N 2 1 365.522 0.806 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C2 ZINC000894788559 1188250795 /nfs/dbraw/zinc/25/07/95/1188250795.db2.gz SNWXZNYBPQWPJS-NPYXIHBLSA-N 2 1 365.522 0.806 20 0 FCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000894788559 1188250796 /nfs/dbraw/zinc/25/07/96/1188250796.db2.gz SNWXZNYBPQWPJS-NPYXIHBLSA-N 2 1 365.522 0.806 20 0 FCADMP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101487 1188270294 /nfs/dbraw/zinc/27/02/94/1188270294.db2.gz HAJKPDTVPVOBIN-GZBFAFLISA-N 2 1 364.494 0.165 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC000983714426 1188281206 /nfs/dbraw/zinc/28/12/06/1188281206.db2.gz TVJUCZMIMRWLEI-ZQDZILKHSA-N 2 1 365.478 0.931 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC000983714426 1188281213 /nfs/dbraw/zinc/28/12/13/1188281213.db2.gz TVJUCZMIMRWLEI-ZQDZILKHSA-N 2 1 365.478 0.931 20 0 FCADMP C[C@@H]([NH2+]Cc1nncn1C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111132 1188291206 /nfs/dbraw/zinc/29/12/06/1188291206.db2.gz BPFXNOWWQUDBHU-IIAWOOMASA-N 2 1 364.494 0.251 20 0 FCADMP C[C@@H]([NH2+]Cc1nncn1C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111132 1188291213 /nfs/dbraw/zinc/29/12/13/1188291213.db2.gz BPFXNOWWQUDBHU-IIAWOOMASA-N 2 1 364.494 0.251 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000550384050 1188344108 /nfs/dbraw/zinc/34/41/08/1188344108.db2.gz YEKSZCGGIXXIJY-KRWDZBQOSA-N 2 1 369.554 0.221 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000550384050 1188344116 /nfs/dbraw/zinc/34/41/16/1188344116.db2.gz YEKSZCGGIXXIJY-KRWDZBQOSA-N 2 1 369.554 0.221 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000550384050 1188344121 /nfs/dbraw/zinc/34/41/21/1188344121.db2.gz YEKSZCGGIXXIJY-KRWDZBQOSA-N 2 1 369.554 0.221 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799007 1189364287 /nfs/dbraw/zinc/36/42/87/1189364287.db2.gz YBBJSMJPJZGRNQ-CGTJXYLNSA-N 2 1 358.490 0.673 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799007 1189364292 /nfs/dbraw/zinc/36/42/92/1189364292.db2.gz YBBJSMJPJZGRNQ-CGTJXYLNSA-N 2 1 358.490 0.673 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550458518 1189504974 /nfs/dbraw/zinc/50/49/74/1189504974.db2.gz ZDFDIAFVCJANNB-IRXDYDNUSA-N 2 1 368.522 0.450 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001075813774 1189605115 /nfs/dbraw/zinc/60/51/15/1189605115.db2.gz YWFRSFACBKYCJT-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001075813774 1189605123 /nfs/dbraw/zinc/60/51/23/1189605123.db2.gz YWFRSFACBKYCJT-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC[NH+]1C ZINC001075813774 1189605128 /nfs/dbraw/zinc/60/51/28/1189605128.db2.gz YWFRSFACBKYCJT-WNRNVDISSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001271142857 1189813479 /nfs/dbraw/zinc/81/34/79/1189813479.db2.gz GRSJEWXECKSXID-QFBILLFUSA-N 2 1 359.474 0.818 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001271142854 1189813625 /nfs/dbraw/zinc/81/36/25/1189813625.db2.gz GRSJEWXECKSXID-LPHOPBHVSA-N 2 1 359.474 0.818 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CC(=O)N(C)C ZINC001087757412 1189814199 /nfs/dbraw/zinc/81/41/99/1189814199.db2.gz SYCYOIXSVBIYJX-JKSUJKDBSA-N 2 1 364.494 0.116 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1CC(=O)N(C)C ZINC001087757412 1189814201 /nfs/dbraw/zinc/81/42/01/1189814201.db2.gz SYCYOIXSVBIYJX-JKSUJKDBSA-N 2 1 364.494 0.116 20 0 FCADMP C[N@@H+]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@]2(C)C1 ZINC000895300123 1189826628 /nfs/dbraw/zinc/82/66/28/1189826628.db2.gz XZSYVOQJBIBDCW-AEFFLSMTSA-N 2 1 366.506 0.461 20 0 FCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C[C@]2(C)C1 ZINC000895300123 1189826629 /nfs/dbraw/zinc/82/66/29/1189826629.db2.gz XZSYVOQJBIBDCW-AEFFLSMTSA-N 2 1 366.506 0.461 20 0 FCADMP Cc1cnc2cc(C(=O)N3C[C@@H]4C[N@@H+]([C@@H]5CCNC5=O)CC[C@@H]4C3)ccn12 ZINC001087966802 1190021353 /nfs/dbraw/zinc/02/13/53/1190021353.db2.gz WFCJGJWOBOWOLA-IXDOHACOSA-N 2 1 367.453 0.925 20 0 FCADMP Cc1cnc2cc(C(=O)N3C[C@H]4CCN([C@@H]5CCNC5=O)C[C@H]4C3)ccn12 ZINC001087966802 1190021362 /nfs/dbraw/zinc/02/13/62/1190021362.db2.gz WFCJGJWOBOWOLA-IXDOHACOSA-N 2 1 367.453 0.925 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)nn1 ZINC001087967712 1190025397 /nfs/dbraw/zinc/02/53/97/1190025397.db2.gz IABKXHFCHMYMDW-SOLBZPMBSA-N 2 1 358.490 0.437 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)nn1 ZINC001087967712 1190025402 /nfs/dbraw/zinc/02/54/02/1190025402.db2.gz IABKXHFCHMYMDW-SOLBZPMBSA-N 2 1 358.490 0.437 20 0 FCADMP CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969574 1190026521 /nfs/dbraw/zinc/02/65/21/1190026521.db2.gz CRWBGFLITZWNEW-BBWFWOEESA-N 2 1 363.506 0.874 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cnn(C)n3)C[C@H]2C1 ZINC001087986347 1190115586 /nfs/dbraw/zinc/11/55/86/1190115586.db2.gz HHPPVRALKLJTIA-RYRKJORJSA-N 2 1 360.506 0.970 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)CC[C@@H]3C2)CCC1 ZINC001087992910 1190144023 /nfs/dbraw/zinc/14/40/23/1190144023.db2.gz RKZYDYZLDWFMHX-QLFBSQMISA-N 2 1 362.474 0.056 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)CC[C@@H]3C2)CCC1 ZINC001087992909 1190144067 /nfs/dbraw/zinc/14/40/67/1190144067.db2.gz RKZYDYZLDWFMHX-ILXRZTDVSA-N 2 1 362.474 0.056 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)O1 ZINC001088011150 1190209662 /nfs/dbraw/zinc/20/96/62/1190209662.db2.gz AMBHKJRQWGLIIU-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)O1 ZINC001088011150 1190209670 /nfs/dbraw/zinc/20/96/70/1190209670.db2.gz AMBHKJRQWGLIIU-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)O1 ZINC001088011150 1190209676 /nfs/dbraw/zinc/20/96/76/1190209676.db2.gz AMBHKJRQWGLIIU-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)O1 ZINC001088011150 1190209682 /nfs/dbraw/zinc/20/96/82/1190209682.db2.gz AMBHKJRQWGLIIU-OQIJWPOYSA-N 2 1 365.518 0.912 20 0 FCADMP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011345 1190211026 /nfs/dbraw/zinc/21/10/26/1190211026.db2.gz JKFLBYVCZDYBQG-VYCZESIESA-N 2 1 373.501 0.784 20 0 FCADMP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011345 1190211030 /nfs/dbraw/zinc/21/10/30/1190211030.db2.gz JKFLBYVCZDYBQG-VYCZESIESA-N 2 1 373.501 0.784 20 0 FCADMP Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011345 1190211035 /nfs/dbraw/zinc/21/10/35/1190211035.db2.gz JKFLBYVCZDYBQG-VYCZESIESA-N 2 1 373.501 0.784 20 0 FCADMP Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011345 1190211037 /nfs/dbraw/zinc/21/10/37/1190211037.db2.gz JKFLBYVCZDYBQG-VYCZESIESA-N 2 1 373.501 0.784 20 0 FCADMP Cc1c(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)ccc2c[nH+]cn21 ZINC001088021370 1190241202 /nfs/dbraw/zinc/24/12/02/1190241202.db2.gz IHJJMVOEFPUCRI-RVKKMQEKSA-N 2 1 367.453 0.925 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)C1=O ZINC001088026011 1190260709 /nfs/dbraw/zinc/26/07/09/1190260709.db2.gz NXIKLMTVJURFEY-IKGGRYGDSA-N 2 1 360.502 0.626 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCn3nc(C)nc3C)CC[C@@H]2C1 ZINC001088042496 1190301470 /nfs/dbraw/zinc/30/14/70/1190301470.db2.gz RVXHWCOQDDKMJS-MSOLQXFVSA-N 2 1 371.489 0.880 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCn3nc(C)nc3C)CC[C@@H]2C1 ZINC001088042496 1190301475 /nfs/dbraw/zinc/30/14/75/1190301475.db2.gz RVXHWCOQDDKMJS-MSOLQXFVSA-N 2 1 371.489 0.880 20 0 FCADMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088064144 1190340187 /nfs/dbraw/zinc/34/01/87/1190340187.db2.gz OGKOKERFWBEODK-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107326 1190594969 /nfs/dbraw/zinc/59/49/69/1190594969.db2.gz RLJAHAYUSYSASP-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107326 1190594974 /nfs/dbraw/zinc/59/49/74/1190594974.db2.gz RLJAHAYUSYSASP-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP CN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@@H]3C2)C1=O ZINC001088107326 1190594977 /nfs/dbraw/zinc/59/49/77/1190594977.db2.gz RLJAHAYUSYSASP-IKGGRYGDSA-N 2 1 362.518 0.729 20 0 FCADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088107291 1190595917 /nfs/dbraw/zinc/59/59/17/1190595917.db2.gz QHAWOEHGHRTOHF-SJORKVTESA-N 2 1 360.506 0.790 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088107291 1190595920 /nfs/dbraw/zinc/59/59/20/1190595920.db2.gz QHAWOEHGHRTOHF-SJORKVTESA-N 2 1 360.506 0.790 20 0 FCADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088107291 1190595925 /nfs/dbraw/zinc/59/59/25/1190595925.db2.gz QHAWOEHGHRTOHF-SJORKVTESA-N 2 1 360.506 0.790 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CC3CCOCC3)CC[C@@H]2C1 ZINC001088140843 1190657784 /nfs/dbraw/zinc/65/77/84/1190657784.db2.gz HROBHJNZKWHPJY-MOPGFXCFSA-N 2 1 365.518 0.916 20 0 FCADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CC3CCOCC3)CC[C@@H]2C1 ZINC001088140843 1190657789 /nfs/dbraw/zinc/65/77/89/1190657789.db2.gz HROBHJNZKWHPJY-MOPGFXCFSA-N 2 1 365.518 0.916 20 0 FCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1=O ZINC001075866814 1190719200 /nfs/dbraw/zinc/71/92/00/1190719200.db2.gz TWUDFXAWGDJDMO-USXIJHARSA-N 2 1 359.474 0.884 20 0 FCADMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4cnc[nH]4)[C@@H]3C2)C1=O ZINC001075866814 1190719210 /nfs/dbraw/zinc/71/92/10/1190719210.db2.gz TWUDFXAWGDJDMO-USXIJHARSA-N 2 1 359.474 0.884 20 0 FCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)CCC1 ZINC000985825645 1190824852 /nfs/dbraw/zinc/82/48/52/1190824852.db2.gz CSEWQJFQHXBNQO-IKGGRYGDSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000985825530 1190825021 /nfs/dbraw/zinc/82/50/21/1190825021.db2.gz AMVDNUOBZVFTQE-FGTMMUONSA-N 2 1 362.518 0.729 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000986130789 1190901339 /nfs/dbraw/zinc/90/13/39/1190901339.db2.gz MIYCWJOEPPRLCP-KURKYZTESA-N 2 1 362.518 0.731 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001059730234 1191049703 /nfs/dbraw/zinc/04/97/03/1191049703.db2.gz BPTBMZSZVUYFON-IXDOHACOSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001059730626 1191051189 /nfs/dbraw/zinc/05/11/89/1191051189.db2.gz LMUHOJGEXLPBRD-IXDOHACOSA-N 2 1 368.522 0.260 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccn(C)n3)CC2)O1 ZINC001029972276 1191053252 /nfs/dbraw/zinc/05/32/52/1191053252.db2.gz FWKFJXSWQZITQI-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnn(C)c3)CC2)O1 ZINC001029972639 1191056124 /nfs/dbraw/zinc/05/61/24/1191056124.db2.gz LDJHMILDMDMJKO-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnn(C)c3)CC2)O1 ZINC001029972639 1191056126 /nfs/dbraw/zinc/05/61/26/1191056126.db2.gz LDJHMILDMDMJKO-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cnn(C)c3)CC2)O1 ZINC001029972639 1191056131 /nfs/dbraw/zinc/05/61/31/1191056131.db2.gz LDJHMILDMDMJKO-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cnn(C)c3)CC2)O1 ZINC001029972639 1191056134 /nfs/dbraw/zinc/05/61/34/1191056134.db2.gz LDJHMILDMDMJKO-CRAIPNDOSA-N 2 1 363.506 0.810 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088505695 1191062062 /nfs/dbraw/zinc/06/20/62/1191062062.db2.gz REBURMNCEVSEBV-XOKHGSTOSA-N 2 1 360.458 0.195 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1Cc1ccc(C(N)=O)cc1 ZINC001088505695 1191062065 /nfs/dbraw/zinc/06/20/65/1191062065.db2.gz REBURMNCEVSEBV-XOKHGSTOSA-N 2 1 360.458 0.195 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886575 1191117904 /nfs/dbraw/zinc/11/79/04/1191117904.db2.gz ZUJNFMQMVIGHMD-BHYGNILZSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886575 1191117905 /nfs/dbraw/zinc/11/79/05/1191117905.db2.gz ZUJNFMQMVIGHMD-BHYGNILZSA-N 2 1 358.490 0.782 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)C1CCC1 ZINC001075886575 1191117906 /nfs/dbraw/zinc/11/79/06/1191117906.db2.gz ZUJNFMQMVIGHMD-BHYGNILZSA-N 2 1 358.490 0.782 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988179886 1191158880 /nfs/dbraw/zinc/15/88/80/1191158880.db2.gz ZCIMWFBBUAJNQU-BZUAXINKSA-N 2 1 361.490 0.908 20 0 FCADMP CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001276765402 1224132678 /nfs/dbraw/zinc/13/26/78/1224132678.db2.gz USSHPZNFBUMPDP-IBGZPJMESA-N 2 1 364.490 0.258 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC001088563261 1191197561 /nfs/dbraw/zinc/19/75/61/1191197561.db2.gz JSFYXDBJXIMHRY-IKGGRYGDSA-N 2 1 366.506 0.297 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088563554 1191197751 /nfs/dbraw/zinc/19/77/51/1191197751.db2.gz VKNCJGIKQICDHL-PMPSAXMXSA-N 2 1 364.490 0.587 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088563554 1191197753 /nfs/dbraw/zinc/19/77/53/1191197753.db2.gz VKNCJGIKQICDHL-PMPSAXMXSA-N 2 1 364.490 0.587 20 0 FCADMP CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(OC2CN(C)C2)cc1)C(N)=O ZINC001217964839 1224133650 /nfs/dbraw/zinc/13/36/50/1224133650.db2.gz JDIXBAHDNGRUQU-IRXDYDNUSA-N 2 1 362.474 0.265 20 0 FCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653320 1193725206 /nfs/dbraw/zinc/72/52/06/1193725206.db2.gz ALDSDDKPCOSXKJ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653320 1193725215 /nfs/dbraw/zinc/72/52/15/1193725215.db2.gz ALDSDDKPCOSXKJ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653320 1193725219 /nfs/dbraw/zinc/72/52/19/1193725219.db2.gz ALDSDDKPCOSXKJ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550653320 1193725223 /nfs/dbraw/zinc/72/52/23/1193725223.db2.gz ALDSDDKPCOSXKJ-CVEARBPZSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000550659725 1193727069 /nfs/dbraw/zinc/72/70/69/1193727069.db2.gz CRAVGRUGXFHKBF-INIZCTEOSA-N 2 1 368.522 0.404 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466487 1193819789 /nfs/dbraw/zinc/81/97/89/1193819789.db2.gz WQVUVEYAJFIRIH-QRVBRYPASA-N 2 1 359.470 0.569 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466487 1193819790 /nfs/dbraw/zinc/81/97/90/1193819790.db2.gz WQVUVEYAJFIRIH-QRVBRYPASA-N 2 1 359.470 0.569 20 0 FCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000551112056 1193833287 /nfs/dbraw/zinc/83/32/87/1193833287.db2.gz QLCPTMFFBRUKHN-KRWDZBQOSA-N 2 1 373.501 0.887 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000551111857 1193833458 /nfs/dbraw/zinc/83/34/58/1193833458.db2.gz PGWGJWYTNDCNGI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000551111857 1193833461 /nfs/dbraw/zinc/83/34/61/1193833461.db2.gz PGWGJWYTNDCNGI-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000551122012 1193834958 /nfs/dbraw/zinc/83/49/58/1193834958.db2.gz MGJXDUJFJYCHMO-YESZJQIVSA-N 2 1 368.522 0.450 20 0 FCADMP C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000551151918 1193835765 /nfs/dbraw/zinc/83/57/65/1193835765.db2.gz LDXHGLMECWJUGL-HZPDHXFCSA-N 2 1 369.554 0.079 20 0 FCADMP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@@H]21 ZINC001218558330 1224172770 /nfs/dbraw/zinc/17/27/70/1224172770.db2.gz YEEHKSVWEPFBKS-OKZBNKHCSA-N 2 1 369.506 0.435 20 0 FCADMP CC(C)[C@H]1N(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655366 1193860086 /nfs/dbraw/zinc/86/00/86/1193860086.db2.gz HUNCOJLYUYGYOD-QQTQMKHKSA-N 2 1 369.550 0.923 20 0 FCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001218556460 1224173360 /nfs/dbraw/zinc/17/33/60/1224173360.db2.gz QXRFPLIGRJLXNC-BBRMVZONSA-N 2 1 362.478 0.262 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001083469908 1193864987 /nfs/dbraw/zinc/86/49/87/1193864987.db2.gz PPGAWORLEXRBNI-YRXWBPOGSA-N 2 1 365.518 0.695 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152605666 1193889761 /nfs/dbraw/zinc/88/97/61/1193889761.db2.gz SAKONUVUMJZTQH-WMZOPIPTSA-N 2 1 368.522 0.992 20 0 FCADMP C[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152605666 1193889767 /nfs/dbraw/zinc/88/97/67/1193889767.db2.gz SAKONUVUMJZTQH-WMZOPIPTSA-N 2 1 368.522 0.992 20 0 FCADMP COc1ccc(F)cc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472350 1193899755 /nfs/dbraw/zinc/89/97/55/1193899755.db2.gz SLJQXOHNMYGBHZ-YYQUZTFQSA-N 2 1 365.449 0.836 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]([NH3+])Cc3cccc(O)c3)cn2)CC1 ZINC001218580406 1224176687 /nfs/dbraw/zinc/17/66/87/1224176687.db2.gz QABOHVZHFFSDOX-MRXNPFEDSA-N 2 1 356.430 0.443 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3CO[C@]4(C3)CCC[NH2+]CC4)cn2)CC1 ZINC001218580384 1224176869 /nfs/dbraw/zinc/17/68/69/1224176869.db2.gz PCWQIAQJYBEWPT-DNVCBOLYSA-N 2 1 374.489 0.716 20 0 FCADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC001218579568 1224177003 /nfs/dbraw/zinc/17/70/03/1224177003.db2.gz FRAOLNDUIFKOFK-WBVHZDCISA-N 2 1 373.505 0.241 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552473290 1193933949 /nfs/dbraw/zinc/93/39/49/1193933949.db2.gz WFQAXLSLSMETDM-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000552473290 1193933953 /nfs/dbraw/zinc/93/39/53/1193933953.db2.gz WFQAXLSLSMETDM-OAHLLOKOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537439 1193937266 /nfs/dbraw/zinc/93/72/66/1193937266.db2.gz BMKBTBMTYBYNEG-HOTGVXAUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000552537439 1193937270 /nfs/dbraw/zinc/93/72/70/1193937270.db2.gz BMKBTBMTYBYNEG-HOTGVXAUSA-N 2 1 368.522 0.308 20 0 FCADMP CC[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)C1CC1 ZINC000553094983 1193971510 /nfs/dbraw/zinc/97/15/10/1193971510.db2.gz ZKAUQLWYSYBLFM-UHFFFAOYSA-N 2 1 359.474 0.639 20 0 FCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)C1CC1 ZINC000553094983 1193971514 /nfs/dbraw/zinc/97/15/14/1193971514.db2.gz ZKAUQLWYSYBLFM-UHFFFAOYSA-N 2 1 359.474 0.639 20 0 FCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000553712363 1194015865 /nfs/dbraw/zinc/01/58/65/1194015865.db2.gz QUKQOISXHUZQBY-SJORKVTESA-N 2 1 368.522 0.450 20 0 FCADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000898596100 1194048716 /nfs/dbraw/zinc/04/87/16/1194048716.db2.gz POVGWWARKGBGNS-UHFFFAOYSA-N 2 1 365.522 0.668 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001142583975 1194049481 /nfs/dbraw/zinc/04/94/81/1194049481.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 2 1 367.538 0.023 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@@H]1O ZINC001083505484 1194050659 /nfs/dbraw/zinc/05/06/59/1194050659.db2.gz PXLZCTLUNICSOY-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001083505484 1194050663 /nfs/dbraw/zinc/05/06/63/1194050663.db2.gz PXLZCTLUNICSOY-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@@H]1O ZINC001083505484 1194050668 /nfs/dbraw/zinc/05/06/68/1194050668.db2.gz PXLZCTLUNICSOY-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@@H]1O ZINC001083505484 1194050673 /nfs/dbraw/zinc/05/06/73/1194050673.db2.gz PXLZCTLUNICSOY-OAGGEKHMSA-N 2 1 365.478 0.346 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000842191483 1194085934 /nfs/dbraw/zinc/08/59/34/1194085934.db2.gz YDKZWHMXYQKBMD-YLJYHZDGSA-N 2 1 358.486 0.835 20 0 FCADMP C[C@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842191467 1194085942 /nfs/dbraw/zinc/08/59/42/1194085942.db2.gz XYTKZJBIMYEIBH-YLJYHZDGSA-N 2 1 358.486 0.868 20 0 FCADMP C[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842187762 1194086206 /nfs/dbraw/zinc/08/62/06/1194086206.db2.gz ADGVSRCQXZJALO-PXNSSMCTSA-N 2 1 374.485 0.201 20 0 FCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000842220741 1194105651 /nfs/dbraw/zinc/10/56/51/1194105651.db2.gz HZQTZNCBZASKRA-UHFFFAOYSA-N 2 1 373.501 0.977 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCN2CCNC2=O)CC3)CC[NH+]1C ZINC000990792294 1194164816 /nfs/dbraw/zinc/16/48/16/1194164816.db2.gz RJOMSHIBVFALAW-OAFZBRQQSA-N 2 1 363.506 0.465 20 0 FCADMP Cc1nc2nc[nH]c2c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218700078 1224199262 /nfs/dbraw/zinc/19/92/62/1224199262.db2.gz VKQODGQCFPYLSF-RYUDHWBXSA-N 2 1 374.449 0.047 20 0 FCADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076046671 1194272525 /nfs/dbraw/zinc/27/25/25/1194272525.db2.gz GNRFLENIKGGNDT-IAOVAPTHSA-N 2 1 353.426 0.759 20 0 FCADMP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001691627268 1194325560 /nfs/dbraw/zinc/32/55/60/1194325560.db2.gz ZQFYPQZCAUMTAG-IYOUNJFTSA-N 2 1 356.486 0.819 20 0 FCADMP CC[C@H](NC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C(N)=O ZINC001276794806 1224214569 /nfs/dbraw/zinc/21/45/69/1224214569.db2.gz SPKBVFXWMOSBKK-ILXRZTDVSA-N 2 1 368.522 0.218 20 0 FCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076457521 1194498424 /nfs/dbraw/zinc/49/84/24/1194498424.db2.gz GYYPLFBVIAWSBM-RYQLBKOJSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457521 1194498429 /nfs/dbraw/zinc/49/84/29/1194498429.db2.gz GYYPLFBVIAWSBM-RYQLBKOJSA-N 2 1 358.486 0.760 20 0 FCADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457521 1194498434 /nfs/dbraw/zinc/49/84/34/1194498434.db2.gz GYYPLFBVIAWSBM-RYQLBKOJSA-N 2 1 358.486 0.760 20 0 FCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447094 1194501312 /nfs/dbraw/zinc/50/13/12/1194501312.db2.gz PRHCAXHLBLSZMK-RCCFBDPRSA-N 2 1 362.518 0.905 20 0 FCADMP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467634 1194503424 /nfs/dbraw/zinc/50/34/24/1194503424.db2.gz PQITWFLKCGBMBC-GOEBONIOSA-N 2 1 357.458 0.614 20 0 FCADMP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467634 1194503437 /nfs/dbraw/zinc/50/34/37/1194503437.db2.gz PQITWFLKCGBMBC-GOEBONIOSA-N 2 1 357.458 0.614 20 0 FCADMP Cc1nc[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504624 1194528836 /nfs/dbraw/zinc/52/88/36/1194528836.db2.gz IZRWKNJNJBXQBQ-JCGIZDLHSA-N 2 1 371.485 0.947 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568840 1194574345 /nfs/dbraw/zinc/57/43/45/1194574345.db2.gz AFLLJPQJBKECMU-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568840 1194574349 /nfs/dbraw/zinc/57/43/49/1194574349.db2.gz AFLLJPQJBKECMU-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568840 1194574353 /nfs/dbraw/zinc/57/43/53/1194574353.db2.gz AFLLJPQJBKECMU-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001076568840 1194574357 /nfs/dbraw/zinc/57/43/57/1194574357.db2.gz AFLLJPQJBKECMU-LZLYRXPVSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001218882628 1224246968 /nfs/dbraw/zinc/24/69/68/1224246968.db2.gz XHBHHUVBSJACFF-KRWDZBQOSA-N 2 1 373.501 0.743 20 0 FCADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001218882629 1224247962 /nfs/dbraw/zinc/24/79/62/1224247962.db2.gz XHBHHUVBSJACFF-QGZVFWFLSA-N 2 1 373.501 0.743 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919651 1224260421 /nfs/dbraw/zinc/26/04/21/1224260421.db2.gz XKHYWWHFGZOWST-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919651 1224260431 /nfs/dbraw/zinc/26/04/31/1224260431.db2.gz XKHYWWHFGZOWST-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]21 ZINC001218919651 1224260439 /nfs/dbraw/zinc/26/04/39/1224260439.db2.gz XKHYWWHFGZOWST-YESZJQIVSA-N 2 1 366.506 0.249 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987149 1195116778 /nfs/dbraw/zinc/11/67/78/1195116778.db2.gz DRRVDOOIZHQDKA-GUDVDZBRSA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987149 1195116784 /nfs/dbraw/zinc/11/67/84/1195116784.db2.gz DRRVDOOIZHQDKA-GUDVDZBRSA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987149 1195116787 /nfs/dbraw/zinc/11/67/87/1195116787.db2.gz DRRVDOOIZHQDKA-GUDVDZBRSA-N 2 1 361.486 0.713 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001076987149 1195116789 /nfs/dbraw/zinc/11/67/89/1195116789.db2.gz DRRVDOOIZHQDKA-GUDVDZBRSA-N 2 1 361.486 0.713 20 0 FCADMP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999320 1195125139 /nfs/dbraw/zinc/12/51/39/1195125139.db2.gz NBPQMXIRUKUSSR-IAGOWNOFSA-N 2 1 363.506 0.388 20 0 FCADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999320 1195125145 /nfs/dbraw/zinc/12/51/45/1195125145.db2.gz NBPQMXIRUKUSSR-IAGOWNOFSA-N 2 1 363.506 0.388 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014480 1195148667 /nfs/dbraw/zinc/14/86/67/1195148667.db2.gz ZDPOLGZDAOWWEJ-RTBURBONSA-N 2 1 371.485 0.728 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC001077024768 1195156072 /nfs/dbraw/zinc/15/60/72/1195156072.db2.gz PACIGCHOLQTVHW-UTRMSSBJSA-N 2 1 361.486 0.739 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001077024768 1195156078 /nfs/dbraw/zinc/15/60/78/1195156078.db2.gz PACIGCHOLQTVHW-UTRMSSBJSA-N 2 1 361.486 0.739 20 0 FCADMP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001077024768 1195156086 /nfs/dbraw/zinc/15/60/86/1195156086.db2.gz PACIGCHOLQTVHW-UTRMSSBJSA-N 2 1 361.486 0.739 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091274 1195208094 /nfs/dbraw/zinc/20/80/94/1195208094.db2.gz TUTYHHWBTKYGOD-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091274 1195208100 /nfs/dbraw/zinc/20/81/00/1195208100.db2.gz TUTYHHWBTKYGOD-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091274 1195208107 /nfs/dbraw/zinc/20/81/07/1195208107.db2.gz TUTYHHWBTKYGOD-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077091274 1195208117 /nfs/dbraw/zinc/20/81/17/1195208117.db2.gz TUTYHHWBTKYGOD-GUDVDZBRSA-N 2 1 361.486 0.715 20 0 FCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091324 1195208816 /nfs/dbraw/zinc/20/88/16/1195208816.db2.gz VTRPPGHDRFNJLT-FGTMMUONSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091324 1195208823 /nfs/dbraw/zinc/20/88/23/1195208823.db2.gz VTRPPGHDRFNJLT-FGTMMUONSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091324 1195208827 /nfs/dbraw/zinc/20/88/27/1195208827.db2.gz VTRPPGHDRFNJLT-FGTMMUONSA-N 2 1 363.506 0.481 20 0 FCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077091324 1195208834 /nfs/dbraw/zinc/20/88/34/1195208834.db2.gz VTRPPGHDRFNJLT-FGTMMUONSA-N 2 1 363.506 0.481 20 0 FCADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)cn1 ZINC001083563186 1195219041 /nfs/dbraw/zinc/21/90/41/1195219041.db2.gz CIFARTQFEJCEBB-CVEARBPZSA-N 2 1 360.462 0.064 20 0 FCADMP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)C1 ZINC001083563350 1195221394 /nfs/dbraw/zinc/22/13/94/1195221394.db2.gz LFCGDTQYWVKADW-HIEASXQVSA-N 2 1 365.518 0.839 20 0 FCADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077218920 1195327914 /nfs/dbraw/zinc/32/79/14/1195327914.db2.gz APTHYUBWHPFOIH-GVDBMIGSSA-N 2 1 365.518 0.839 20 0 FCADMP CC(C)N(C)C(=O)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965258 1224273636 /nfs/dbraw/zinc/27/36/36/1224273636.db2.gz IHWVLYIDPFSQFP-YESZJQIVSA-N 2 1 366.506 0.107 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276281 1195377817 /nfs/dbraw/zinc/37/78/17/1195377817.db2.gz VWAXTQPCEKLWOT-CGTJXYLNSA-N 2 1 358.442 0.987 20 0 FCADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001218971316 1224276901 /nfs/dbraw/zinc/27/69/01/1224276901.db2.gz YBMHNABHIGVUJV-OKZBNKHCSA-N 2 1 369.506 0.293 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219000756 1224281124 /nfs/dbraw/zinc/28/11/24/1224281124.db2.gz AFQWXFMMGHSPHV-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418133 1195518139 /nfs/dbraw/zinc/51/81/39/1195518139.db2.gz KCYXZAAGZJYHEF-IQZRMOLJSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418133 1195518146 /nfs/dbraw/zinc/51/81/46/1195518146.db2.gz KCYXZAAGZJYHEF-IQZRMOLJSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418133 1195518153 /nfs/dbraw/zinc/51/81/53/1195518153.db2.gz KCYXZAAGZJYHEF-IQZRMOLJSA-N 2 1 371.481 0.520 20 0 FCADMP O[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@@]1(O)CCOC1 ZINC000905233049 1195578826 /nfs/dbraw/zinc/57/88/26/1195578826.db2.gz PYPQEWMVKZEGLT-UFYCRDLUSA-N 2 1 364.486 0.770 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591393 1195590794 /nfs/dbraw/zinc/59/07/94/1195590794.db2.gz ATWZFZXXPMWELI-OLMNPRSZSA-N 2 1 358.442 0.844 20 0 FCADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591549 1195591551 /nfs/dbraw/zinc/59/15/51/1195591551.db2.gz JSDSJQYEXFDWHJ-MSOLQXFVSA-N 2 1 358.442 0.844 20 0 FCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C3CN(C)CC[N@@H+](C)C3)cn2)CC1 ZINC000906230593 1195620129 /nfs/dbraw/zinc/62/01/29/1195620129.db2.gz AMXSGRNOMBPCJU-UHFFFAOYSA-N 2 1 374.533 0.333 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(OC)cc(OC)n1 ZINC000906487767 1195632422 /nfs/dbraw/zinc/63/24/22/1195632422.db2.gz HIRCXOOTORLSPL-CQSZACIVSA-N 2 1 365.478 0.982 20 0 FCADMP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000906645914 1195641814 /nfs/dbraw/zinc/64/18/14/1195641814.db2.gz NBCNDNMAUVBGLW-MRXNPFEDSA-N 2 1 360.458 0.797 20 0 FCADMP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601958 1195665715 /nfs/dbraw/zinc/66/57/15/1195665715.db2.gz WTIXIUDMJJPZGJ-MSOLQXFVSA-N 2 1 359.470 0.469 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601958 1195665722 /nfs/dbraw/zinc/66/57/22/1195665722.db2.gz WTIXIUDMJJPZGJ-MSOLQXFVSA-N 2 1 359.470 0.469 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000910828343 1195847612 /nfs/dbraw/zinc/84/76/12/1195847612.db2.gz IIBOMBXZGINOBR-SOLBZPMBSA-N 2 1 371.485 0.671 20 0 FCADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000910831221 1195850925 /nfs/dbraw/zinc/85/09/25/1195850925.db2.gz WUYAUBOXDKZXRE-OXQOHEQNSA-N 2 1 371.485 0.673 20 0 FCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911029225 1195880119 /nfs/dbraw/zinc/88/01/19/1195880119.db2.gz LSXOLJJJNYPLTC-DTTOXWODSA-N 2 1 358.486 0.964 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000911100373 1195889132 /nfs/dbraw/zinc/88/91/32/1195889132.db2.gz FESGJHBFAKHRGC-GASCZTMLSA-N 2 1 374.485 0.520 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911123756 1195892833 /nfs/dbraw/zinc/89/28/33/1195892833.db2.gz JDDXWKZVOHOJGH-QLPKVWCKSA-N 2 1 358.486 0.867 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037357 1224309980 /nfs/dbraw/zinc/30/99/80/1224309980.db2.gz GALHSKFTGDAJOE-OKZBNKHCSA-N 2 1 369.506 0.171 20 0 FCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000911170843 1195909915 /nfs/dbraw/zinc/90/99/15/1195909915.db2.gz XSRFVFZFQNTXQS-QGZVFWFLSA-N 2 1 373.501 0.089 20 0 FCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000911170843 1195909919 /nfs/dbraw/zinc/90/99/19/1195909919.db2.gz XSRFVFZFQNTXQS-QGZVFWFLSA-N 2 1 373.501 0.089 20 0 FCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000911170843 1195909923 /nfs/dbraw/zinc/90/99/23/1195909923.db2.gz XSRFVFZFQNTXQS-QGZVFWFLSA-N 2 1 373.501 0.089 20 0 FCADMP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000911249674 1195922809 /nfs/dbraw/zinc/92/28/09/1195922809.db2.gz LBHKSUJPJRAUBG-UHFFFAOYSA-N 2 1 366.412 0.653 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cn1 ZINC001083644407 1195930727 /nfs/dbraw/zinc/93/07/27/1195930727.db2.gz FSKJCVJUIALXPH-MSOLQXFVSA-N 2 1 368.441 0.568 20 0 FCADMP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cn1 ZINC001083644407 1195930730 /nfs/dbraw/zinc/93/07/30/1195930730.db2.gz FSKJCVJUIALXPH-MSOLQXFVSA-N 2 1 368.441 0.568 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067045 1224334211 /nfs/dbraw/zinc/33/42/11/1224334211.db2.gz HBGUDUYRBPUTPV-OKZBNKHCSA-N 2 1 369.506 0.171 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)c1 ZINC001083654321 1196347120 /nfs/dbraw/zinc/34/71/20/1196347120.db2.gz IEYQKZHDUBDKSO-TUKJNDCMSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)c1 ZINC001083654321 1196347125 /nfs/dbraw/zinc/34/71/25/1196347125.db2.gz IEYQKZHDUBDKSO-TUKJNDCMSA-N 2 1 371.481 0.520 20 0 FCADMP Cc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)c1 ZINC001083654321 1196347128 /nfs/dbraw/zinc/34/71/28/1196347128.db2.gz IEYQKZHDUBDKSO-TUKJNDCMSA-N 2 1 371.481 0.520 20 0 FCADMP CC(C)N1CC[NH+](CCCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000912460371 1196347975 /nfs/dbraw/zinc/34/79/75/1196347975.db2.gz DDEPMOKHUCBOFO-UHFFFAOYSA-N 2 1 369.554 0.271 20 0 FCADMP CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655069 1196349880 /nfs/dbraw/zinc/34/98/80/1196349880.db2.gz UCDXMVXSNADDPY-FWFFWDSWSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655069 1196349885 /nfs/dbraw/zinc/34/98/85/1196349885.db2.gz UCDXMVXSNADDPY-FWFFWDSWSA-N 2 1 363.502 0.447 20 0 FCADMP CC1(C)CC(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655069 1196349892 /nfs/dbraw/zinc/34/98/92/1196349892.db2.gz UCDXMVXSNADDPY-FWFFWDSWSA-N 2 1 363.502 0.447 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000592472073 1196564014 /nfs/dbraw/zinc/56/40/14/1196564014.db2.gz HXFKEAOPYQZYBG-OAHLLOKOSA-N 2 1 362.474 0.315 20 0 FCADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000592472073 1196564019 /nfs/dbraw/zinc/56/40/19/1196564019.db2.gz HXFKEAOPYQZYBG-OAHLLOKOSA-N 2 1 362.474 0.315 20 0 FCADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@H]1C ZINC000592565964 1196569573 /nfs/dbraw/zinc/56/95/73/1196569573.db2.gz FYSKMPOQRJLQQR-KGLIPLIRSA-N 2 1 363.462 0.429 20 0 FCADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@H]1C ZINC000592565964 1196569581 /nfs/dbraw/zinc/56/95/81/1196569581.db2.gz FYSKMPOQRJLQQR-KGLIPLIRSA-N 2 1 363.462 0.429 20 0 FCADMP CC[NH+]1CCN(CCCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592962096 1196597201 /nfs/dbraw/zinc/59/72/01/1196597201.db2.gz WBNCNDCDZTVPES-MRXNPFEDSA-N 2 1 362.522 0.867 20 0 FCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958940 1196600373 /nfs/dbraw/zinc/60/03/73/1196600373.db2.gz AGSTZVGYQCHDBK-GJZGRUSLSA-N 3 1 360.506 0.618 20 0 FCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958940 1196600380 /nfs/dbraw/zinc/60/03/80/1196600380.db2.gz AGSTZVGYQCHDBK-GJZGRUSLSA-N 3 1 360.506 0.618 20 0 FCADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000593737600 1196652473 /nfs/dbraw/zinc/65/24/73/1196652473.db2.gz PTMSWWJYZDPQEM-GVDBMIGSSA-N 2 1 367.490 0.616 20 0 FCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000594104841 1196688046 /nfs/dbraw/zinc/68/80/46/1196688046.db2.gz MOMYWYWOIVHAPJ-INIZCTEOSA-N 2 1 374.489 0.689 20 0 FCADMP NC(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000594104841 1196688056 /nfs/dbraw/zinc/68/80/56/1196688056.db2.gz MOMYWYWOIVHAPJ-INIZCTEOSA-N 2 1 374.489 0.689 20 0 FCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000594102371 1196691443 /nfs/dbraw/zinc/69/14/43/1196691443.db2.gz MYGMTYPCAWWQPP-BBWFWOEESA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000594102371 1196691448 /nfs/dbraw/zinc/69/14/48/1196691448.db2.gz MYGMTYPCAWWQPP-BBWFWOEESA-N 2 1 367.538 0.993 20 0 FCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000594102371 1196691457 /nfs/dbraw/zinc/69/14/57/1196691457.db2.gz MYGMTYPCAWWQPP-BBWFWOEESA-N 2 1 367.538 0.993 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739290 1196736554 /nfs/dbraw/zinc/73/65/54/1196736554.db2.gz TUTXHNDXCHZOQM-IAGOWNOFSA-N 2 1 372.469 0.432 20 0 FCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739290 1196736557 /nfs/dbraw/zinc/73/65/57/1196736557.db2.gz TUTXHNDXCHZOQM-IAGOWNOFSA-N 2 1 372.469 0.432 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739292 1196737235 /nfs/dbraw/zinc/73/72/35/1196737235.db2.gz TUTXHNDXCHZOQM-SJORKVTESA-N 2 1 372.469 0.432 20 0 FCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)CCN2C1=O ZINC000594739292 1196737244 /nfs/dbraw/zinc/73/72/44/1196737244.db2.gz TUTXHNDXCHZOQM-SJORKVTESA-N 2 1 372.469 0.432 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088861206 1196806095 /nfs/dbraw/zinc/80/60/95/1196806095.db2.gz UYEDTDVXNNJIJA-KMFMINBZSA-N 2 1 357.462 0.625 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088861206 1196806099 /nfs/dbraw/zinc/80/60/99/1196806099.db2.gz UYEDTDVXNNJIJA-KMFMINBZSA-N 2 1 357.462 0.625 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088898927 1196830862 /nfs/dbraw/zinc/83/08/62/1196830862.db2.gz BTHXUKWIVBUQSK-NJAFHUGGSA-N 2 1 363.506 0.555 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088939916 1196842632 /nfs/dbraw/zinc/84/26/32/1196842632.db2.gz QRCIRYUSUVVKQV-SQNIBIBYSA-N 2 1 363.506 0.555 20 0 FCADMP COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)C[NH2+]CCC[NH3+] ZINC001219179821 1224377843 /nfs/dbraw/zinc/37/78/43/1224377843.db2.gz CDGUWHKMHXBNNW-UHFFFAOYSA-N 2 1 363.462 0.241 20 0 FCADMP C[NH+](C)CC1(O)CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000913680669 1197106781 /nfs/dbraw/zinc/10/67/81/1197106781.db2.gz YMRSEIVTPULHDM-IBGZPJMESA-N 2 1 374.529 0.890 20 0 FCADMP C[NH+](CC(=O)N1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1)C1CCC1 ZINC000913741484 1197120458 /nfs/dbraw/zinc/12/04/58/1197120458.db2.gz RIWNFPYMTYQRRL-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1)C1CCC1 ZINC000913741484 1197120461 /nfs/dbraw/zinc/12/04/61/1197120461.db2.gz RIWNFPYMTYQRRL-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1)C1CCC1 ZINC000913741484 1197120466 /nfs/dbraw/zinc/12/04/66/1197120466.db2.gz RIWNFPYMTYQRRL-QGZVFWFLSA-N 2 1 366.506 0.299 20 0 FCADMP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001106148048 1197308245 /nfs/dbraw/zinc/30/82/45/1197308245.db2.gz DRYKPGBFKVEYNX-DTTOXWODSA-N 2 1 362.522 0.919 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992940992 1197621084 /nfs/dbraw/zinc/62/10/84/1197621084.db2.gz KBAIZBXBZGQMSP-MDZRGWNJSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992940992 1197621088 /nfs/dbraw/zinc/62/10/88/1197621088.db2.gz KBAIZBXBZGQMSP-MDZRGWNJSA-N 2 1 359.474 0.450 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1 ZINC000992948769 1197627602 /nfs/dbraw/zinc/62/76/02/1197627602.db2.gz PUYZTIVUZLQCOA-QKLQHJQFSA-N 2 1 362.518 0.731 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@]3(C)C2)CCC1 ZINC000993031859 1197703412 /nfs/dbraw/zinc/70/34/12/1197703412.db2.gz LXRVMLFRFWZDGP-MDZRGWNJSA-N 2 1 362.518 0.872 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106210952 1197707004 /nfs/dbraw/zinc/70/70/04/1197707004.db2.gz JTTUWSAMVQCIMR-ZACQAIPSSA-N 2 1 365.522 0.570 20 0 FCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)no1 ZINC001085252897 1197750363 /nfs/dbraw/zinc/75/03/63/1197750363.db2.gz MQWAGDRCVFKSQM-HUUCEWRRSA-N 2 1 361.450 0.659 20 0 FCADMP CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246246 1197780258 /nfs/dbraw/zinc/78/02/58/1197780258.db2.gz KDBSYAGQZJHNNK-KZNAEPCWSA-N 2 1 365.522 0.924 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255222 1197792951 /nfs/dbraw/zinc/79/29/51/1197792951.db2.gz KNUJAHBUHMQJCG-HZPDHXFCSA-N 2 1 368.522 0.308 20 0 FCADMP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001085284935 1197794988 /nfs/dbraw/zinc/79/49/88/1197794988.db2.gz TZIWDTFONNXEAA-BFYDXBDKSA-N 2 1 361.494 0.602 20 0 FCADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCCCC1 ZINC000734661217 1197799889 /nfs/dbraw/zinc/79/98/89/1197799889.db2.gz JYLJQFPZGFUHTD-MSOLQXFVSA-N 2 1 367.538 0.567 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085309110 1197810739 /nfs/dbraw/zinc/81/07/39/1197810739.db2.gz YIXXGEZRBYBRMX-ZACQAIPSSA-N 2 1 364.494 0.441 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnnn2C)C1 ZINC001085309110 1197810740 /nfs/dbraw/zinc/81/07/40/1197810740.db2.gz YIXXGEZRBYBRMX-ZACQAIPSSA-N 2 1 364.494 0.441 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001085332220 1197824872 /nfs/dbraw/zinc/82/48/72/1197824872.db2.gz PEIYWUYCLMLWAK-BZUAXINKSA-N 2 1 363.510 0.942 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001085332220 1197824878 /nfs/dbraw/zinc/82/48/78/1197824878.db2.gz PEIYWUYCLMLWAK-BZUAXINKSA-N 2 1 363.510 0.942 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnc[nH]2)CCO1 ZINC001085345990 1197835787 /nfs/dbraw/zinc/83/57/87/1197835787.db2.gz ANPKBBMJDOJAND-FVQBIDKESA-N 2 1 363.462 0.217 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000993134632 1197856694 /nfs/dbraw/zinc/85/66/94/1197856694.db2.gz KBAIZBXBZGQMSP-JTDSTZFVSA-N 2 1 359.474 0.450 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000993134632 1197856695 /nfs/dbraw/zinc/85/66/95/1197856695.db2.gz KBAIZBXBZGQMSP-JTDSTZFVSA-N 2 1 359.474 0.450 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(=O)N(C)C ZINC001106354007 1197875632 /nfs/dbraw/zinc/87/56/32/1197875632.db2.gz KGCXRGXWTYFTHK-HZSPNIEDSA-N 2 1 365.478 0.511 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001085422446 1197886835 /nfs/dbraw/zinc/88/68/35/1197886835.db2.gz UAYJNVWAZRBGCA-RBSFLKMASA-N 2 1 363.510 0.897 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001085422446 1197886838 /nfs/dbraw/zinc/88/68/38/1197886838.db2.gz UAYJNVWAZRBGCA-RBSFLKMASA-N 2 1 363.510 0.897 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)C1 ZINC001085429348 1197895630 /nfs/dbraw/zinc/89/56/30/1197895630.db2.gz ORKJMEMVFCESGF-KURKYZTESA-N 2 1 363.506 0.700 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)C1 ZINC001085429348 1197895632 /nfs/dbraw/zinc/89/56/32/1197895632.db2.gz ORKJMEMVFCESGF-KURKYZTESA-N 2 1 363.506 0.700 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106434683 1197924803 /nfs/dbraw/zinc/92/48/03/1197924803.db2.gz CGPOFWYYGAAQNV-HZPDHXFCSA-N 2 1 371.489 0.738 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001006278769 1198103799 /nfs/dbraw/zinc/10/37/99/1198103799.db2.gz DOARFIYZNIWALP-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001006278769 1198103825 /nfs/dbraw/zinc/10/38/25/1198103825.db2.gz DOARFIYZNIWALP-DZUCGIPZSA-N 2 1 359.474 0.924 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129326522 1198171931 /nfs/dbraw/zinc/17/19/31/1198171931.db2.gz JSMGPHBKBAXHNL-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129326522 1198171955 /nfs/dbraw/zinc/17/19/55/1198171955.db2.gz JSMGPHBKBAXHNL-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129326522 1198171978 /nfs/dbraw/zinc/17/19/78/1198171978.db2.gz JSMGPHBKBAXHNL-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129326522 1198171996 /nfs/dbraw/zinc/17/19/96/1198171996.db2.gz JSMGPHBKBAXHNL-SJORKVTESA-N 2 1 366.510 0.514 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403459 1198207546 /nfs/dbraw/zinc/20/75/46/1198207546.db2.gz HYSJFFVKCAXCJJ-HNAYVOBHSA-N 2 1 366.506 0.251 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403460 1198209138 /nfs/dbraw/zinc/20/91/38/1198209138.db2.gz HYSJFFVKCAXCJJ-KXBFYZLASA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001086371094 1198332170 /nfs/dbraw/zinc/33/21/70/1198332170.db2.gz PNLYCLVLOMDPFD-KBUPBQIOSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001086371094 1198332180 /nfs/dbraw/zinc/33/21/80/1198332180.db2.gz PNLYCLVLOMDPFD-KBUPBQIOSA-N 2 1 363.510 0.753 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001086400818 1198355140 /nfs/dbraw/zinc/35/51/40/1198355140.db2.gz YMTCIQLVGJAHFT-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCNC(=O)CC3)C2)O1 ZINC001086400818 1198355152 /nfs/dbraw/zinc/35/51/52/1198355152.db2.gz YMTCIQLVGJAHFT-WRQOLXDDSA-N 2 1 366.506 0.106 20 0 FCADMP COc1cc2c(cc1NC(=O)[C@H]([NH3+])Cc1c[nH]cn1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498349 1224488403 /nfs/dbraw/zinc/48/84/03/1224488403.db2.gz WTMJCOMIAZWEOK-XIKOKIGWSA-N 2 1 370.413 0.110 20 0 FCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001169170480 1199053765 /nfs/dbraw/zinc/05/37/65/1199053765.db2.gz VZHNJGGRVPWGHZ-KBPBESRZSA-N 2 1 362.478 0.416 20 0 FCADMP CC(=O)N1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001169545012 1199075325 /nfs/dbraw/zinc/07/53/25/1199075325.db2.gz JHENPNIHPOSTPY-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP CC(=O)N1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001169545012 1199075328 /nfs/dbraw/zinc/07/53/28/1199075328.db2.gz JHENPNIHPOSTPY-QGZVFWFLSA-N 2 1 366.506 0.110 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129337679 1199079850 /nfs/dbraw/zinc/07/98/50/1199079850.db2.gz SZARLKRSRSBTFS-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP N[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001219727160 1224579502 /nfs/dbraw/zinc/57/95/02/1224579502.db2.gz YEVBSUYTYJDGKH-WIYYLYMNSA-N 3 1 371.529 0.295 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COCN1 ZINC001219723281 1224576010 /nfs/dbraw/zinc/57/60/10/1224576010.db2.gz KMRLLAFTBATYOK-ROUUACIJSA-N 2 1 358.486 0.550 20 0 FCADMP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COC[NH2+]1 ZINC001219723281 1224576014 /nfs/dbraw/zinc/57/60/14/1224576014.db2.gz KMRLLAFTBATYOK-ROUUACIJSA-N 3 1 358.486 0.550 20 0 FCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1COC[NH2+]1 ZINC001219723281 1224576021 /nfs/dbraw/zinc/57/60/21/1224576021.db2.gz KMRLLAFTBATYOK-ROUUACIJSA-N 3 1 358.486 0.550 20 0 FCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219729401 1224581045 /nfs/dbraw/zinc/58/10/45/1224581045.db2.gz VNPUUIVUNYYIEH-QRVBRYPASA-N 3 1 372.513 0.327 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001109406226 1200251785 /nfs/dbraw/zinc/25/17/85/1200251785.db2.gz SGEUPWWOVYMUDC-LDDOYCOJSA-N 2 1 362.474 0.197 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)C1CC1 ZINC001109406226 1200251789 /nfs/dbraw/zinc/25/17/89/1200251789.db2.gz SGEUPWWOVYMUDC-LDDOYCOJSA-N 2 1 362.474 0.197 20 0 FCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001109411644 1200251983 /nfs/dbraw/zinc/25/19/83/1200251983.db2.gz FVMDQRXKSCAXDE-QZWWFDLISA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001109411644 1200251991 /nfs/dbraw/zinc/25/19/91/1200251991.db2.gz FVMDQRXKSCAXDE-QZWWFDLISA-N 2 1 358.490 0.971 20 0 FCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001109411644 1200251993 /nfs/dbraw/zinc/25/19/93/1200251993.db2.gz FVMDQRXKSCAXDE-QZWWFDLISA-N 2 1 358.490 0.971 20 0 FCADMP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764241 1224600761 /nfs/dbraw/zinc/60/07/61/1224600761.db2.gz BQCOEZBUHIESEJ-FGTMMUONSA-N 2 1 374.485 0.247 20 0 FCADMP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764241 1224600767 /nfs/dbraw/zinc/60/07/67/1224600767.db2.gz BQCOEZBUHIESEJ-FGTMMUONSA-N 2 1 374.485 0.247 20 0 FCADMP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764207 1224600946 /nfs/dbraw/zinc/60/09/46/1224600946.db2.gz AODKSSIDTHDVSW-SQNIBIBYSA-N 2 1 359.518 0.292 20 0 FCADMP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764207 1224600950 /nfs/dbraw/zinc/60/09/50/1224600950.db2.gz AODKSSIDTHDVSW-SQNIBIBYSA-N 2 1 359.518 0.292 20 0 FCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCc3ncnn32)CC1 ZINC001109651008 1200443833 /nfs/dbraw/zinc/44/38/33/1200443833.db2.gz FAHDFLFMIHNXDK-UGUYLWEFSA-N 2 1 358.490 0.829 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001219794785 1224615516 /nfs/dbraw/zinc/61/55/16/1224615516.db2.gz ONMGWAMHYNYFKM-SQNIBIBYSA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001219794785 1224615520 /nfs/dbraw/zinc/61/55/20/1224615520.db2.gz ONMGWAMHYNYFKM-SQNIBIBYSA-N 2 1 371.497 0.931 20 0 FCADMP O=C(N[C@@H]1C[NH+](CCCCCF)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001219794785 1224615523 /nfs/dbraw/zinc/61/55/23/1224615523.db2.gz ONMGWAMHYNYFKM-SQNIBIBYSA-N 2 1 371.497 0.931 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719054 1200485599 /nfs/dbraw/zinc/48/55/99/1200485599.db2.gz SRIQXQKQIMMCSE-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719054 1200485601 /nfs/dbraw/zinc/48/56/01/1200485601.db2.gz SRIQXQKQIMMCSE-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109719054 1200485605 /nfs/dbraw/zinc/48/56/05/1200485605.db2.gz SRIQXQKQIMMCSE-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109719054 1200485610 /nfs/dbraw/zinc/48/56/10/1200485610.db2.gz SRIQXQKQIMMCSE-YVSFHVDLSA-N 2 1 365.522 0.757 20 0 FCADMP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793160 1224615269 /nfs/dbraw/zinc/61/52/69/1224615269.db2.gz AVUBTMNAUUOXIY-OXJNMPFZSA-N 2 1 364.534 0.868 20 0 FCADMP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794546 1224615861 /nfs/dbraw/zinc/61/58/61/1224615861.db2.gz DNBZFSUGCMJPBV-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794546 1224615865 /nfs/dbraw/zinc/61/58/65/1224615865.db2.gz DNBZFSUGCMJPBV-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794546 1224615868 /nfs/dbraw/zinc/61/58/68/1224615868.db2.gz DNBZFSUGCMJPBV-SQNIBIBYSA-N 2 1 369.506 0.218 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001219799936 1224619629 /nfs/dbraw/zinc/61/96/29/1224619629.db2.gz CYJMLTLDOYDYDW-IKGGRYGDSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001219799936 1224619634 /nfs/dbraw/zinc/61/96/34/1224619634.db2.gz CYJMLTLDOYDYDW-IKGGRYGDSA-N 2 1 363.506 0.411 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)CC1 ZINC001109900490 1200597600 /nfs/dbraw/zinc/59/76/00/1200597600.db2.gz SKHFVPXBTHCUPP-NJAFHUGGSA-N 2 1 361.490 0.715 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001109928097 1200615753 /nfs/dbraw/zinc/61/57/53/1200615753.db2.gz GVNQWVLBDIRXTL-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001109928097 1200615755 /nfs/dbraw/zinc/61/57/55/1200615755.db2.gz GVNQWVLBDIRXTL-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001109928097 1200615760 /nfs/dbraw/zinc/61/57/60/1200615760.db2.gz GVNQWVLBDIRXTL-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001109928097 1200615771 /nfs/dbraw/zinc/61/57/71/1200615771.db2.gz GVNQWVLBDIRXTL-NCOADZHNSA-N 2 1 368.522 0.591 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219803955 1224622988 /nfs/dbraw/zinc/62/29/88/1224622988.db2.gz JCXIGMLMKGWXME-CEXWTWQISA-N 2 1 361.486 0.835 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219803955 1224622993 /nfs/dbraw/zinc/62/29/93/1224622993.db2.gz JCXIGMLMKGWXME-CEXWTWQISA-N 2 1 361.486 0.835 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2O)CCC1 ZINC001219802659 1224623326 /nfs/dbraw/zinc/62/33/26/1224623326.db2.gz YYQULFIVYGSGTI-MSOLQXFVSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2O)CCC1 ZINC001219802659 1224623336 /nfs/dbraw/zinc/62/33/36/1224623336.db2.gz YYQULFIVYGSGTI-MSOLQXFVSA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CC1 ZINC001219804450 1224624550 /nfs/dbraw/zinc/62/45/50/1224624550.db2.gz WMHHFXIYMBIGTR-CEXWTWQISA-N 2 1 359.470 0.718 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)C1CC1 ZINC001219804450 1224624555 /nfs/dbraw/zinc/62/45/55/1224624555.db2.gz WMHHFXIYMBIGTR-CEXWTWQISA-N 2 1 359.470 0.718 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001110021585 1200707202 /nfs/dbraw/zinc/70/72/02/1200707202.db2.gz FWMKOQSRCWYRCT-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001110021585 1200707207 /nfs/dbraw/zinc/70/72/07/1200707207.db2.gz FWMKOQSRCWYRCT-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001110021585 1200707215 /nfs/dbraw/zinc/70/72/15/1200707215.db2.gz FWMKOQSRCWYRCT-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001110021585 1200707227 /nfs/dbraw/zinc/70/72/27/1200707227.db2.gz FWMKOQSRCWYRCT-YVSFHVDLSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112557726 1200784457 /nfs/dbraw/zinc/78/44/57/1200784457.db2.gz UVYGXHDUODFKTP-KHYOSLBOSA-N 2 1 364.490 0.352 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001112567485 1200802210 /nfs/dbraw/zinc/80/22/10/1200802210.db2.gz RNDQBOBTGMUVLX-YJBOKZPZSA-N 2 1 363.510 0.660 20 0 FCADMP Cc1nccn1-c1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cn1 ZINC000787479734 1200887495 /nfs/dbraw/zinc/88/74/95/1200887495.db2.gz WNKKARDSEBSWAH-UHFFFAOYSA-N 2 1 356.430 0.402 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cn1 ZINC000787479734 1200887500 /nfs/dbraw/zinc/88/75/00/1200887500.db2.gz WNKKARDSEBSWAH-UHFFFAOYSA-N 2 1 356.430 0.402 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000787486421 1200888712 /nfs/dbraw/zinc/88/87/12/1200888712.db2.gz QYIHYZWCMHSWNY-XJKSGUPXSA-N 2 1 370.457 0.791 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000787486421 1200888718 /nfs/dbraw/zinc/88/87/18/1200888718.db2.gz QYIHYZWCMHSWNY-XJKSGUPXSA-N 2 1 370.457 0.791 20 0 FCADMP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)n1ccnc1 ZINC001219853332 1224655443 /nfs/dbraw/zinc/65/54/43/1224655443.db2.gz PZXLHYJBRCSUPO-ZACQAIPSSA-N 2 1 360.462 0.528 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793715538 1201254514 /nfs/dbraw/zinc/25/45/14/1201254514.db2.gz GQGOVKKJYZKUFD-DLBZAZTESA-N 2 1 366.506 0.158 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001114299417 1201292544 /nfs/dbraw/zinc/29/25/44/1201292544.db2.gz WBIOAIFUKWJOEN-SUJAAXHWSA-N 2 1 365.522 0.471 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114299417 1201292548 /nfs/dbraw/zinc/29/25/48/1201292548.db2.gz WBIOAIFUKWJOEN-SUJAAXHWSA-N 2 1 365.522 0.471 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001114299417 1201292552 /nfs/dbraw/zinc/29/25/52/1201292552.db2.gz WBIOAIFUKWJOEN-SUJAAXHWSA-N 2 1 365.522 0.471 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461647 1201327548 /nfs/dbraw/zinc/32/75/48/1201327548.db2.gz YJBQVKXLMFENIN-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461647 1201327558 /nfs/dbraw/zinc/32/75/58/1201327558.db2.gz YJBQVKXLMFENIN-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129461647 1201327562 /nfs/dbraw/zinc/32/75/62/1201327562.db2.gz YJBQVKXLMFENIN-BBWFWOEESA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461278 1201328004 /nfs/dbraw/zinc/32/80/04/1201328004.db2.gz UIWLZIZNNMTKFO-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129461278 1201328006 /nfs/dbraw/zinc/32/80/06/1201328006.db2.gz UIWLZIZNNMTKFO-IXDOHACOSA-N 2 1 364.494 0.386 20 0 FCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684754 1201370266 /nfs/dbraw/zinc/37/02/66/1201370266.db2.gz JUEGAFRGALOKFA-ZACQAIPSSA-N 2 1 364.494 0.386 20 0 FCADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129716821 1201376178 /nfs/dbraw/zinc/37/61/78/1201376178.db2.gz CIJRCYDQTLTABV-PMPSAXMXSA-N 2 1 364.494 0.386 20 0 FCADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129716821 1201376181 /nfs/dbraw/zinc/37/61/81/1201376181.db2.gz CIJRCYDQTLTABV-PMPSAXMXSA-N 2 1 364.494 0.386 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129855390 1201405636 /nfs/dbraw/zinc/40/56/36/1201405636.db2.gz JFRBYUPPLXWKMG-SYQHCUMBSA-N 2 1 374.411 0.912 20 0 FCADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895917 1201430543 /nfs/dbraw/zinc/43/05/43/1201430543.db2.gz MCNAMYFCQMGDIA-BBWFWOEESA-N 2 1 364.494 0.244 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001129896415 1201431170 /nfs/dbraw/zinc/43/11/70/1201431170.db2.gz ZDQVMNYEDRNCBL-BBWFWOEESA-N 2 1 366.485 0.957 20 0 FCADMP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012091 1201471165 /nfs/dbraw/zinc/47/11/65/1201471165.db2.gz OFXKLIPASZRDIR-CVEARBPZSA-N 2 1 364.494 0.388 20 0 FCADMP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012036 1201471316 /nfs/dbraw/zinc/47/13/16/1201471316.db2.gz LBHSTKATFWWYQZ-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001219905297 1224677215 /nfs/dbraw/zinc/67/72/15/1224677215.db2.gz ZYGNFBVCOXIPKC-CVEARBPZSA-N 2 1 366.510 0.340 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219905297 1224677219 /nfs/dbraw/zinc/67/72/19/1224677219.db2.gz ZYGNFBVCOXIPKC-CVEARBPZSA-N 2 1 366.510 0.340 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219905297 1224677222 /nfs/dbraw/zinc/67/72/22/1224677222.db2.gz ZYGNFBVCOXIPKC-CVEARBPZSA-N 2 1 366.510 0.340 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130074701 1201495072 /nfs/dbraw/zinc/49/50/72/1201495072.db2.gz FQJBOBYXMOTCDF-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130096615 1201499149 /nfs/dbraw/zinc/49/91/49/1201499149.db2.gz MSNJQXFMBHJGEO-SJORKVTESA-N 2 1 366.510 0.778 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130107187 1201502346 /nfs/dbraw/zinc/50/23/46/1201502346.db2.gz IEWMVGQGAAVYLM-SJORKVTESA-N 2 1 364.494 0.388 20 0 FCADMP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1)OC ZINC001130123647 1201512244 /nfs/dbraw/zinc/51/22/44/1201512244.db2.gz XOYYIBQXPBHNFM-XHSDSOJGSA-N 2 1 361.450 0.250 20 0 FCADMP CCCCCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184464 1201537632 /nfs/dbraw/zinc/53/76/32/1201537632.db2.gz RKLQLJSCIDGNKQ-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP CCCCCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184464 1201537637 /nfs/dbraw/zinc/53/76/37/1201537637.db2.gz RKLQLJSCIDGNKQ-BRWVUGGUSA-N 2 1 370.538 0.886 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130247148 1201567318 /nfs/dbraw/zinc/56/73/18/1201567318.db2.gz WKXORSVNLDDCLY-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130247148 1201567325 /nfs/dbraw/zinc/56/73/25/1201567325.db2.gz WKXORSVNLDDCLY-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130247148 1201567330 /nfs/dbraw/zinc/56/73/30/1201567330.db2.gz WKXORSVNLDDCLY-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)C1 ZINC001130247148 1201567335 /nfs/dbraw/zinc/56/73/35/1201567335.db2.gz WKXORSVNLDDCLY-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)C1 ZINC001130247148 1201567342 /nfs/dbraw/zinc/56/73/42/1201567342.db2.gz WKXORSVNLDDCLY-IHRRRGAJSA-N 2 1 368.457 0.194 20 0 FCADMP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001220058095 1224740571 /nfs/dbraw/zinc/74/05/71/1224740571.db2.gz TXNCMYITAJQWSR-CEXWTWQISA-N 2 1 365.518 0.839 20 0 FCADMP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001220058095 1224740577 /nfs/dbraw/zinc/74/05/77/1224740577.db2.gz TXNCMYITAJQWSR-CEXWTWQISA-N 2 1 365.518 0.839 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555412 1202715685 /nfs/dbraw/zinc/71/56/85/1202715685.db2.gz BLXPEYKNYDTGBH-JQHSSLGASA-N 2 1 363.506 0.681 20 0 FCADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555412 1202715687 /nfs/dbraw/zinc/71/56/87/1202715687.db2.gz BLXPEYKNYDTGBH-JQHSSLGASA-N 2 1 363.506 0.681 20 0 FCADMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672135 1202751645 /nfs/dbraw/zinc/75/16/45/1202751645.db2.gz IUIXHXQRWKFPTB-SOLBZPMBSA-N 2 1 363.506 0.825 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2nccn2C)c1 ZINC001130670242 1202751676 /nfs/dbraw/zinc/75/16/76/1202751676.db2.gz SOUUSALDIBOKHX-GOEBONIOSA-N 2 1 359.478 0.190 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130706704 1202757401 /nfs/dbraw/zinc/75/74/01/1202757401.db2.gz UBRCHWZJSXPSBM-XYJFISCASA-N 2 1 365.522 0.807 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130783145 1202794331 /nfs/dbraw/zinc/79/43/31/1202794331.db2.gz MGEMURISSNHHJR-LXTVHRRPSA-N 2 1 364.494 0.981 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783145 1202794336 /nfs/dbraw/zinc/79/43/36/1202794336.db2.gz MGEMURISSNHHJR-LXTVHRRPSA-N 2 1 364.494 0.981 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783145 1202794338 /nfs/dbraw/zinc/79/43/38/1202794338.db2.gz MGEMURISSNHHJR-LXTVHRRPSA-N 2 1 364.494 0.981 20 0 FCADMP C[NH+]1CCC(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CC1 ZINC001130802393 1202803449 /nfs/dbraw/zinc/80/34/49/1202803449.db2.gz RJXLQTDNPWXQDT-UONOGXRCSA-N 2 1 368.457 0.542 20 0 FCADMP CC[C@H](F)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802169 1202803496 /nfs/dbraw/zinc/80/34/96/1202803496.db2.gz GAIMUJRUHPVUPP-MELADBBJSA-N 2 1 370.473 0.930 20 0 FCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC[NH+](C)C)n[nH]2)O1 ZINC001130816341 1202807149 /nfs/dbraw/zinc/80/71/49/1202807149.db2.gz RSDGMKYTDLTMRP-UONOGXRCSA-N 2 1 368.482 0.219 20 0 FCADMP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031802 1202850571 /nfs/dbraw/zinc/85/05/71/1202850571.db2.gz XTBNGXULPINISI-FVQBIDKESA-N 2 1 360.462 0.544 20 0 FCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120944 1202865872 /nfs/dbraw/zinc/86/58/72/1202865872.db2.gz DSBLZJYBRKUIGK-GVDBMIGSSA-N 2 1 363.506 0.681 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)C1 ZINC001131125578 1202866242 /nfs/dbraw/zinc/86/62/42/1202866242.db2.gz HRRLUKLHMZWJQU-BFYDXBDKSA-N 2 1 367.469 0.384 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCF)C2)C1 ZINC001131125578 1202866244 /nfs/dbraw/zinc/86/62/44/1202866244.db2.gz HRRLUKLHMZWJQU-BFYDXBDKSA-N 2 1 367.469 0.384 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001086659183 1202872167 /nfs/dbraw/zinc/87/21/67/1202872167.db2.gz NDADZYVCGZHHJK-RRFJBIMHSA-N 2 1 365.478 0.727 20 0 FCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001086659183 1202872170 /nfs/dbraw/zinc/87/21/70/1202872170.db2.gz NDADZYVCGZHHJK-RRFJBIMHSA-N 2 1 365.478 0.727 20 0 FCADMP CCC[N@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316532 1202886192 /nfs/dbraw/zinc/88/61/92/1202886192.db2.gz MMGCDHKVLSJPGC-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH+](CCOC)C[C@H]32)C1 ZINC001131316532 1202886194 /nfs/dbraw/zinc/88/61/94/1202886194.db2.gz MMGCDHKVLSJPGC-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCOC)C[C@H]32)C1 ZINC001131316532 1202886197 /nfs/dbraw/zinc/88/61/97/1202886197.db2.gz MMGCDHKVLSJPGC-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CCC[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCOC)C[C@H]32)C1 ZINC001131316532 1202886198 /nfs/dbraw/zinc/88/61/98/1202886198.db2.gz MMGCDHKVLSJPGC-OAGGEKHMSA-N 2 1 368.478 0.081 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131316674 1202886207 /nfs/dbraw/zinc/88/62/07/1202886207.db2.gz RDKSZZAISUSBEH-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131316674 1202886209 /nfs/dbraw/zinc/88/62/09/1202886209.db2.gz RDKSZZAISUSBEH-OAGGEKHMSA-N 2 1 370.469 0.794 20 0 FCADMP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001131313333 1202888048 /nfs/dbraw/zinc/88/80/48/1202888048.db2.gz OJYPQZHSFGJNCV-XHSDSOJGSA-N 2 1 364.490 0.843 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001086665416 1202888055 /nfs/dbraw/zinc/88/80/55/1202888055.db2.gz DVJCFIZJISXIAK-JQHSSLGASA-N 2 1 363.506 0.651 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001086665416 1202888058 /nfs/dbraw/zinc/88/80/58/1202888058.db2.gz DVJCFIZJISXIAK-JQHSSLGASA-N 2 1 363.506 0.651 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131454220 1202898529 /nfs/dbraw/zinc/89/85/29/1202898529.db2.gz RAJKVVKSDAMWTD-SQNIBIBYSA-N 2 1 369.506 0.075 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131595456 1202919156 /nfs/dbraw/zinc/91/91/56/1202919156.db2.gz XXXNFFRYLVJUOQ-KYJSFNMBSA-N 2 1 368.522 0.578 20 0 FCADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001086717099 1203013268 /nfs/dbraw/zinc/01/32/68/1203013268.db2.gz HBKCKDZTYPNXEB-ARFHVFGLSA-N 2 1 357.462 0.927 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)[C@@H](c2ccccc2)C1 ZINC001134129390 1203014683 /nfs/dbraw/zinc/01/46/83/1203014683.db2.gz IVFCHJALYWJPQD-QRVBRYPASA-N 2 1 371.485 0.295 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001086731501 1203052125 /nfs/dbraw/zinc/05/21/25/1203052125.db2.gz NYAZDTGUERLJDC-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001086731501 1203052128 /nfs/dbraw/zinc/05/21/28/1203052128.db2.gz NYAZDTGUERLJDC-YYIAUSFCSA-N 2 1 366.506 0.202 20 0 FCADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C[NH+](C)C)on3)C2)C1=O ZINC001086739803 1203065906 /nfs/dbraw/zinc/06/59/06/1203065906.db2.gz SFXRSVDDBJZGGW-GUTXKFCHSA-N 2 1 363.462 0.455 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc3nncn3C)C1)CC2 ZINC001086787406 1203093632 /nfs/dbraw/zinc/09/36/32/1203093632.db2.gz QHNWKAMEJQDKOU-HRCADAONSA-N 2 1 371.489 0.957 20 0 FCADMP CN(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001086793033 1203094935 /nfs/dbraw/zinc/09/49/35/1203094935.db2.gz XNHJZKBSYNGYQD-DZGCQCFKSA-N 2 1 364.494 0.852 20 0 FCADMP CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC000821328623 1203202783 /nfs/dbraw/zinc/20/27/83/1203202783.db2.gz LZNWEUXNUTZZBK-CEXWTWQISA-N 2 1 358.486 0.816 20 0 FCADMP COC(=O)[C@]1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220225537 1224808479 /nfs/dbraw/zinc/80/84/79/1224808479.db2.gz HGFPJIXYXLIALV-APWZRJJASA-N 2 1 371.441 0.213 20 0 FCADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229055 1224810400 /nfs/dbraw/zinc/81/04/00/1224810400.db2.gz KPPVRTHUUYONHR-AEFFLSMTSA-N 2 1 360.502 0.756 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1 ZINC001220229384 1224811106 /nfs/dbraw/zinc/81/11/06/1224811106.db2.gz YZKGXZGLWHWYER-MSOLQXFVSA-N 2 1 361.486 0.741 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220236683 1224812470 /nfs/dbraw/zinc/81/24/70/1224812470.db2.gz DORFTWBKTRSYKI-QRVBRYPASA-N 2 1 363.502 0.483 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[NH+](C)C ZINC001220297004 1224822954 /nfs/dbraw/zinc/82/29/54/1224822954.db2.gz GLNCOLRTAOBGOE-CEXWTWQISA-N 2 1 361.486 0.964 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O)[NH+](C)C ZINC001220297004 1224822957 /nfs/dbraw/zinc/82/29/57/1224822957.db2.gz GLNCOLRTAOBGOE-CEXWTWQISA-N 2 1 361.486 0.964 20 0 FCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000844223730 1204379938 /nfs/dbraw/zinc/37/99/38/1204379938.db2.gz AUDSMONUAQTGFZ-LJQANCHMSA-N 2 1 373.501 0.441 20 0 FCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000844223730 1204379944 /nfs/dbraw/zinc/37/99/44/1204379944.db2.gz AUDSMONUAQTGFZ-LJQANCHMSA-N 2 1 373.501 0.441 20 0 FCADMP COc1ccnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001091096715 1204513454 /nfs/dbraw/zinc/51/34/54/1204513454.db2.gz YENOFUSPKQGWSX-SEVFCGSRSA-N 2 1 362.474 0.794 20 0 FCADMP COc1ccnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001091096715 1204513456 /nfs/dbraw/zinc/51/34/56/1204513456.db2.gz YENOFUSPKQGWSX-SEVFCGSRSA-N 2 1 362.474 0.794 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001091097089 1204513926 /nfs/dbraw/zinc/51/39/26/1204513926.db2.gz KPRGTYQLDFSRTM-YOODTLSXSA-N 2 1 361.486 0.882 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(CO)cc3)C2)O1 ZINC001091097089 1204513934 /nfs/dbraw/zinc/51/39/34/1204513934.db2.gz KPRGTYQLDFSRTM-YOODTLSXSA-N 2 1 361.486 0.882 20 0 FCADMP O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)[C@@H]1COCC[NH2+]1 ZINC001220357270 1224840853 /nfs/dbraw/zinc/84/08/53/1224840853.db2.gz JISXUBHDDOQQPJ-IXDOHACOSA-N 2 1 361.442 0.550 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001220355594 1224841338 /nfs/dbraw/zinc/84/13/38/1224841338.db2.gz VYGYCWWKLDGPPP-NXHRZFHOSA-N 2 1 364.490 0.730 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001220355594 1224841344 /nfs/dbraw/zinc/84/13/44/1224841344.db2.gz VYGYCWWKLDGPPP-NXHRZFHOSA-N 2 1 364.490 0.730 20 0 FCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846836930 1204669237 /nfs/dbraw/zinc/66/92/37/1204669237.db2.gz JECKQFZYUKCSPQ-LJQANCHMSA-N 2 1 370.538 0.928 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O)[NH+](C)C ZINC001220380327 1224850033 /nfs/dbraw/zinc/85/00/33/1224850033.db2.gz YVQORFOLBRLKRF-SQNIBIBYSA-N 2 1 361.486 0.666 20 0 FCADMP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387160 1224852586 /nfs/dbraw/zinc/85/25/86/1224852586.db2.gz DFNQPHDUMWCUSQ-QRQLOZEOSA-N 2 1 361.486 0.849 20 0 FCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387578 1224853815 /nfs/dbraw/zinc/85/38/15/1224853815.db2.gz LYNIUWHMGGMNTC-KURKYZTESA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387578 1224853819 /nfs/dbraw/zinc/85/38/19/1224853819.db2.gz LYNIUWHMGGMNTC-KURKYZTESA-N 2 1 371.522 0.321 20 0 FCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388001 1224853831 /nfs/dbraw/zinc/85/38/31/1224853831.db2.gz XMWYFEPRBOKFHD-KSZLIROESA-N 2 1 371.522 0.465 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737689 1204837778 /nfs/dbraw/zinc/83/77/78/1204837778.db2.gz HNFSYBBKIKKELV-KPFFTGBYSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758340 1204843555 /nfs/dbraw/zinc/84/35/55/1204843555.db2.gz AORKMRFTAQGAHF-BPAFIMBUSA-N 2 1 364.534 0.974 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)[NH+](C)C ZINC001091758935 1204843622 /nfs/dbraw/zinc/84/36/22/1204843622.db2.gz RWFAXIYHXWZWNG-GJYPPUQNSA-N 2 1 365.522 0.378 20 0 FCADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086989317 1204882332 /nfs/dbraw/zinc/88/23/32/1204882332.db2.gz VHIJXLWDJSWJFZ-FXICWAJMSA-N 2 1 359.474 0.187 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087034979 1204910755 /nfs/dbraw/zinc/91/07/55/1204910755.db2.gz GLEGVPDURKYHLE-HYVNUMGLSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087035073 1204911072 /nfs/dbraw/zinc/91/10/72/1204911072.db2.gz KLXJGWGOQWNJSK-BZUAXINKSA-N 2 1 364.494 0.345 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087053981 1204934318 /nfs/dbraw/zinc/93/43/18/1204934318.db2.gz OQJIRJWVHLTMNB-DJIMGWMZSA-N 2 1 365.478 0.896 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087055274 1204935923 /nfs/dbraw/zinc/93/59/23/1204935923.db2.gz CRZKLRICTYVONC-MUIFIZLQSA-N 2 1 364.494 0.108 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087061238 1204948404 /nfs/dbraw/zinc/94/84/04/1204948404.db2.gz WKFJYTPLRZJYEB-INMHGKMJSA-N 2 1 367.494 0.917 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083496 1204970118 /nfs/dbraw/zinc/97/01/18/1204970118.db2.gz HVRLKKWXUXLCGL-BFYDXBDKSA-N 2 1 364.494 0.110 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087100735 1204997807 /nfs/dbraw/zinc/99/78/07/1204997807.db2.gz BGPQUOSUNBPBPO-HUUCEWRRSA-N 2 1 365.478 0.681 20 0 FCADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087100944 1204998655 /nfs/dbraw/zinc/99/86/55/1204998655.db2.gz MCPCUEJOCYPBEJ-LZLYRXPVSA-N 2 1 363.506 0.808 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087096379 1205003298 /nfs/dbraw/zinc/00/32/98/1205003298.db2.gz KIXBRKROPTZKPN-JFIYKMOQSA-N 2 1 363.506 0.715 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087096515 1205004465 /nfs/dbraw/zinc/00/44/65/1205004465.db2.gz QFJKTLWFLHYQSH-BZUAXINKSA-N 2 1 365.478 0.673 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087096515 1205004473 /nfs/dbraw/zinc/00/44/73/1205004473.db2.gz QFJKTLWFLHYQSH-BZUAXINKSA-N 2 1 365.478 0.673 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccnn4C)C[C@@]3(C)C2)O1 ZINC001091780542 1205026232 /nfs/dbraw/zinc/02/62/32/1205026232.db2.gz PEYIRKORPAIETG-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccnn4C)C[C@@]3(C)C2)O1 ZINC001091780542 1205026234 /nfs/dbraw/zinc/02/62/34/1205026234.db2.gz PEYIRKORPAIETG-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccnn4C)C[C@@]3(C)C2)O1 ZINC001091780542 1205026236 /nfs/dbraw/zinc/02/62/36/1205026236.db2.gz PEYIRKORPAIETG-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccnn4C)C[C@@]3(C)C2)O1 ZINC001091780542 1205026239 /nfs/dbraw/zinc/02/62/39/1205026239.db2.gz PEYIRKORPAIETG-LFEHRJTNSA-N 2 1 361.490 0.420 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856483 1205051791 /nfs/dbraw/zinc/05/17/91/1205051791.db2.gz STZWRXILUVVLGG-ALKREAHSSA-N 2 1 355.442 0.992 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091856450 1205051938 /nfs/dbraw/zinc/05/19/38/1205051938.db2.gz RACMNWMJCNMBNR-CLCXKQKWSA-N 2 1 359.474 0.639 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091856450 1205051943 /nfs/dbraw/zinc/05/19/43/1205051943.db2.gz RACMNWMJCNMBNR-CLCXKQKWSA-N 2 1 359.474 0.639 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856203 1205052115 /nfs/dbraw/zinc/05/21/15/1205052115.db2.gz KRIXJEJOLAJESU-BEFAXECRSA-N 2 1 355.442 0.816 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001091857683 1205053089 /nfs/dbraw/zinc/05/30/89/1205053089.db2.gz RMRBPPUUOTVIGX-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001091857683 1205053095 /nfs/dbraw/zinc/05/30/95/1205053095.db2.gz RMRBPPUUOTVIGX-GJYPPUQNSA-N 2 1 359.474 0.593 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879449 1205062538 /nfs/dbraw/zinc/06/25/38/1205062538.db2.gz KXCNJDRFNNBSCH-KPFFTGBYSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960021 1205092789 /nfs/dbraw/zinc/09/27/89/1205092789.db2.gz KMZUGBPJXKCBIC-VCBZYWHSSA-N 2 1 362.474 0.999 20 0 FCADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429320 1224869051 /nfs/dbraw/zinc/86/90/51/1224869051.db2.gz PGCFXSMOHGKHPN-MJQMVNBJSA-N 2 1 358.486 0.723 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011502 1205112537 /nfs/dbraw/zinc/11/25/37/1205112537.db2.gz XQQVHITXYDXTMB-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011502 1205112538 /nfs/dbraw/zinc/11/25/38/1205112538.db2.gz XQQVHITXYDXTMB-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011502 1205112539 /nfs/dbraw/zinc/11/25/39/1205112539.db2.gz XQQVHITXYDXTMB-HLIPFELVSA-N 2 1 362.518 0.873 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099383 1205155017 /nfs/dbraw/zinc/15/50/17/1205155017.db2.gz RWRDBEJKBRVALR-APWZRJJASA-N 2 1 362.474 0.986 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099383 1205155020 /nfs/dbraw/zinc/15/50/20/1205155020.db2.gz RWRDBEJKBRVALR-APWZRJJASA-N 2 1 362.474 0.986 20 0 FCADMP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)on1 ZINC001092101795 1205158714 /nfs/dbraw/zinc/15/87/14/1205158714.db2.gz OFIZJBVHSMKVCD-APWZRJJASA-N 2 1 362.474 0.986 20 0 FCADMP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)on1 ZINC001092101795 1205158718 /nfs/dbraw/zinc/15/87/18/1205158718.db2.gz OFIZJBVHSMKVCD-APWZRJJASA-N 2 1 362.474 0.986 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC1 ZINC001092130437 1205169930 /nfs/dbraw/zinc/16/99/30/1205169930.db2.gz VZZAXPHNWXUDJI-APWZRJJASA-N 2 1 360.506 0.827 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC1 ZINC001092130437 1205169931 /nfs/dbraw/zinc/16/99/31/1205169931.db2.gz VZZAXPHNWXUDJI-APWZRJJASA-N 2 1 360.506 0.827 20 0 FCADMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092203654 1205197327 /nfs/dbraw/zinc/19/73/27/1205197327.db2.gz URSHHUYOAUHXHG-MDZRGWNJSA-N 2 1 370.501 0.642 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)cn1 ZINC001092203205 1205197662 /nfs/dbraw/zinc/19/76/62/1205197662.db2.gz IFNSFALSJHHHDC-MJGOQNOKSA-N 2 1 357.502 0.839 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)C1=O ZINC001092203844 1205198190 /nfs/dbraw/zinc/19/81/90/1205198190.db2.gz ZTDHOVGAPVBZAO-GJYPPUQNSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092274767 1205221903 /nfs/dbraw/zinc/22/19/03/1205221903.db2.gz LWAAQFRGNBVQIU-HLIPFELVSA-N 2 1 362.518 0.779 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092276510 1205223125 /nfs/dbraw/zinc/22/31/25/1205223125.db2.gz QWSBHXHDSQHYKN-MJGOQNOKSA-N 2 1 371.489 0.880 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092276510 1205223131 /nfs/dbraw/zinc/22/31/31/1205223131.db2.gz QWSBHXHDSQHYKN-MJGOQNOKSA-N 2 1 371.489 0.880 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301502 1205234984 /nfs/dbraw/zinc/23/49/84/1205234984.db2.gz KXEDZFZTDPDLNS-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301502 1205234988 /nfs/dbraw/zinc/23/49/88/1205234988.db2.gz KXEDZFZTDPDLNS-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301502 1205234993 /nfs/dbraw/zinc/23/49/93/1205234993.db2.gz KXEDZFZTDPDLNS-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287021 1205252315 /nfs/dbraw/zinc/25/23/15/1205252315.db2.gz SRXWLLSKMBVIAA-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287021 1205252318 /nfs/dbraw/zinc/25/23/18/1205252318.db2.gz SRXWLLSKMBVIAA-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287021 1205252323 /nfs/dbraw/zinc/25/23/23/1205252323.db2.gz SRXWLLSKMBVIAA-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@@]3(C)C2)C1 ZINC001092287021 1205252327 /nfs/dbraw/zinc/25/23/27/1205252327.db2.gz SRXWLLSKMBVIAA-GGPKGHCWSA-N 2 1 365.518 0.914 20 0 FCADMP COCCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092503968 1205296162 /nfs/dbraw/zinc/29/61/62/1205296162.db2.gz FCAWEVLIHGESFA-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092503968 1205296164 /nfs/dbraw/zinc/29/61/64/1205296164.db2.gz FCAWEVLIHGESFA-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)n1 ZINC001092503968 1205296166 /nfs/dbraw/zinc/29/61/66/1205296166.db2.gz FCAWEVLIHGESFA-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP COCCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@H](C)C2)n1 ZINC001092503968 1205296170 /nfs/dbraw/zinc/29/61/70/1205296170.db2.gz FCAWEVLIHGESFA-KFWWJZLASA-N 2 1 365.478 0.537 20 0 FCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523080 1205302176 /nfs/dbraw/zinc/30/21/76/1205302176.db2.gz ZXHLASBYMYEYNA-UNEWFSDZSA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523080 1205302178 /nfs/dbraw/zinc/30/21/78/1205302178.db2.gz ZXHLASBYMYEYNA-UNEWFSDZSA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523080 1205302180 /nfs/dbraw/zinc/30/21/80/1205302180.db2.gz ZXHLASBYMYEYNA-UNEWFSDZSA-N 2 1 364.494 0.121 20 0 FCADMP CCn1nnc(C)c1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523080 1205302182 /nfs/dbraw/zinc/30/21/82/1205302182.db2.gz ZXHLASBYMYEYNA-UNEWFSDZSA-N 2 1 364.494 0.121 20 0 FCADMP COc1ncccc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523010 1205302362 /nfs/dbraw/zinc/30/23/62/1205302362.db2.gz YDXMDINGPQVDOH-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523010 1205302367 /nfs/dbraw/zinc/30/23/67/1205302367.db2.gz YDXMDINGPQVDOH-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523010 1205302371 /nfs/dbraw/zinc/30/23/71/1205302371.db2.gz YDXMDINGPQVDOH-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP COc1ncccc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523010 1205302375 /nfs/dbraw/zinc/30/23/75/1205302375.db2.gz YDXMDINGPQVDOH-DJIMGWMZSA-N 2 1 362.474 0.605 20 0 FCADMP NC(=[NH2+])N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460752 1224880845 /nfs/dbraw/zinc/88/08/45/1224880845.db2.gz XPIODTWNTUDNDL-MRXNPFEDSA-N 3 1 360.462 0.077 20 0 FCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611467 1205324266 /nfs/dbraw/zinc/32/42/66/1205324266.db2.gz XFMJOWNMSQPFGH-ATZDWAIDSA-N 2 1 359.518 0.989 20 0 FCADMP NC(=[NH2+])N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460751 1224880981 /nfs/dbraw/zinc/88/09/81/1224880981.db2.gz XPIODTWNTUDNDL-INIZCTEOSA-N 3 1 360.462 0.077 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220482302 1224887881 /nfs/dbraw/zinc/88/78/81/1224887881.db2.gz LQJWKLDAOINSJP-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220482302 1224887885 /nfs/dbraw/zinc/88/78/85/1224887885.db2.gz LQJWKLDAOINSJP-ZACQAIPSSA-N 2 1 364.490 0.985 20 0 FCADMP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1C ZINC001092931388 1205961697 /nfs/dbraw/zinc/96/16/97/1205961697.db2.gz KUGMJZKOBPIZEL-GDBMZVCRSA-N 2 1 362.522 0.903 20 0 FCADMP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1C ZINC001092931388 1205961701 /nfs/dbraw/zinc/96/17/01/1205961701.db2.gz KUGMJZKOBPIZEL-GDBMZVCRSA-N 2 1 362.522 0.903 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CCC1 ZINC001220550434 1224922922 /nfs/dbraw/zinc/92/29/22/1224922922.db2.gz RUPFVXMKIWDSHE-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1)C1CCC1 ZINC001220550434 1224922924 /nfs/dbraw/zinc/92/29/24/1224922924.db2.gz RUPFVXMKIWDSHE-FGTMMUONSA-N 2 1 364.490 0.948 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120739 1206027553 /nfs/dbraw/zinc/02/75/53/1206027553.db2.gz LOAFZTQJIBRVFF-ZTFGCOKTSA-N 2 1 362.518 0.681 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137172 1206034016 /nfs/dbraw/zinc/03/40/16/1206034016.db2.gz REVGAKALICDQNE-ZIAGYGMSSA-N 2 1 357.462 0.774 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195176 1206053028 /nfs/dbraw/zinc/05/30/28/1206053028.db2.gz MWDLRLSVBGSTFX-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195176 1206053033 /nfs/dbraw/zinc/05/30/33/1206053033.db2.gz MWDLRLSVBGSTFX-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195176 1206053037 /nfs/dbraw/zinc/05/30/37/1206053037.db2.gz MWDLRLSVBGSTFX-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195176 1206053043 /nfs/dbraw/zinc/05/30/43/1206053043.db2.gz MWDLRLSVBGSTFX-DJIMGWMZSA-N 2 1 360.506 0.824 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001093290884 1206074202 /nfs/dbraw/zinc/07/42/02/1206074202.db2.gz CIGDIGZMLBJYJB-BPLDGKMQSA-N 2 1 361.446 0.071 20 0 FCADMP CO[C@H](C)CN1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545592 1206091635 /nfs/dbraw/zinc/09/16/35/1206091635.db2.gz MADBUVRDVZPSDC-IIDMSEBBSA-N 2 1 369.506 0.432 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001093672824 1206099732 /nfs/dbraw/zinc/09/97/32/1206099732.db2.gz FSKPMTAANKYKPP-BZUAXINKSA-N 2 1 360.506 0.893 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690409 1206101510 /nfs/dbraw/zinc/10/15/10/1206101510.db2.gz SKKRRJBSIQTXJC-INMHGKMJSA-N 2 1 362.474 0.605 20 0 FCADMP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690409 1206101512 /nfs/dbraw/zinc/10/15/12/1206101512.db2.gz SKKRRJBSIQTXJC-INMHGKMJSA-N 2 1 362.474 0.605 20 0 FCADMP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093770305 1206113048 /nfs/dbraw/zinc/11/30/48/1206113048.db2.gz IYIWFRQJZDUAER-HUUCEWRRSA-N 2 1 363.510 0.659 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001093806312 1206121104 /nfs/dbraw/zinc/12/11/04/1206121104.db2.gz WLVNKMSDCQEWCS-KFWWJZLASA-N 2 1 364.494 0.167 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001093821695 1206123598 /nfs/dbraw/zinc/12/35/98/1206123598.db2.gz FMICKESSBLCCBZ-BRWVUGGUSA-N 2 1 371.489 0.488 20 0 FCADMP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001093921656 1206150021 /nfs/dbraw/zinc/15/00/21/1206150021.db2.gz ZCFIBDZYGWUANV-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001093921645 1206150062 /nfs/dbraw/zinc/15/00/62/1206150062.db2.gz YGRUDXWZGBTDON-UKRRQHHQSA-N 2 1 358.446 0.874 20 0 FCADMP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093923934 1206150613 /nfs/dbraw/zinc/15/06/13/1206150613.db2.gz ZPAOCQXBAHZSEG-IIAWOOMASA-N 2 1 359.474 0.335 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093941035 1206163451 /nfs/dbraw/zinc/16/34/51/1206163451.db2.gz CEZOEPJUWRAARN-FRFSOERESA-N 2 1 361.494 0.269 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)C1 ZINC001093993223 1206165214 /nfs/dbraw/zinc/16/52/14/1206165214.db2.gz IHOIIHPDJKQOLT-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccnn3C)[C@H](C)C2)C1 ZINC001093993223 1206165218 /nfs/dbraw/zinc/16/52/18/1206165218.db2.gz IHOIIHPDJKQOLT-NUJGCVRESA-N 2 1 363.506 0.713 20 0 FCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093991826 1206165561 /nfs/dbraw/zinc/16/55/61/1206165561.db2.gz FVOBKRBHKVBMNP-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)C1 ZINC001093991826 1206165562 /nfs/dbraw/zinc/16/55/62/1206165562.db2.gz FVOBKRBHKVBMNP-INMHGKMJSA-N 2 1 364.494 0.108 20 0 FCADMP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001094042253 1206174425 /nfs/dbraw/zinc/17/44/25/1206174425.db2.gz PLQBWSOAUCESJO-RBSFLKMASA-N 2 1 365.478 0.742 20 0 FCADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)C2 ZINC001094043687 1206175030 /nfs/dbraw/zinc/17/50/30/1206175030.db2.gz SVRJWFZSPOUUMF-FVQBIDKESA-N 2 1 371.489 0.767 20 0 FCADMP C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088279 1206181949 /nfs/dbraw/zinc/18/19/49/1206181949.db2.gz MAFSUAOAKBEVQG-BZUAXINKSA-N 2 1 363.510 0.659 20 0 FCADMP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1=O ZINC001094220842 1206203166 /nfs/dbraw/zinc/20/31/66/1206203166.db2.gz YUUZXURJXADERB-QLFBSQMISA-N 2 1 363.458 0.784 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)nn1 ZINC001094232628 1206208808 /nfs/dbraw/zinc/20/88/08/1206208808.db2.gz ZXEQVPJPQZPWEX-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)nn1 ZINC001094232628 1206208810 /nfs/dbraw/zinc/20/88/10/1206208810.db2.gz ZXEQVPJPQZPWEX-BFYDXBDKSA-N 2 1 364.494 0.203 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)C1 ZINC001094232587 1206208875 /nfs/dbraw/zinc/20/88/75/1206208875.db2.gz YZDWECJBZRZZJO-OIISXLGYSA-N 2 1 361.490 0.690 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)C1 ZINC001094232587 1206208877 /nfs/dbraw/zinc/20/88/77/1206208877.db2.gz YZDWECJBZRZZJO-OIISXLGYSA-N 2 1 361.490 0.690 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094242305 1206209967 /nfs/dbraw/zinc/20/99/67/1206209967.db2.gz IPYKXNHHYQFYIZ-QGPMSJSTSA-N 2 1 371.489 0.697 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCc2cn(C3C[NH+](C[C@H]4CCOC4)C3)nn2)CC[N@H+]1C ZINC001094293375 1206215630 /nfs/dbraw/zinc/21/56/30/1206215630.db2.gz MAENGAJBJFRQDF-CKEIUWERSA-N 2 1 362.478 0.128 20 0 FCADMP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417146 1206223978 /nfs/dbraw/zinc/22/39/78/1206223978.db2.gz JRWCCKNRGDXKHL-MBOZVWFJSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)CC[N@H+]1C ZINC001094419931 1206224091 /nfs/dbraw/zinc/22/40/91/1206224091.db2.gz JRMVNQFPPMWRBP-WVSUBDOOSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)CC[NH+]1C ZINC001094419931 1206224092 /nfs/dbraw/zinc/22/40/92/1206224092.db2.gz JRMVNQFPPMWRBP-WVSUBDOOSA-N 2 1 362.518 0.966 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)CC[NH+]1C ZINC001094419931 1206224093 /nfs/dbraw/zinc/22/40/93/1206224093.db2.gz JRMVNQFPPMWRBP-WVSUBDOOSA-N 2 1 362.518 0.966 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001094474303 1206233676 /nfs/dbraw/zinc/23/36/76/1206233676.db2.gz UFVIBQIUDLEKMY-MXPCJUPISA-N 2 1 363.502 0.593 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCCO)CC2)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001094474303 1206233678 /nfs/dbraw/zinc/23/36/78/1206233678.db2.gz UFVIBQIUDLEKMY-MXPCJUPISA-N 2 1 363.502 0.593 20 0 FCADMP O=C(NC[C@]12CCC[C@H]1[NH+](CCCO)CC2)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001094474303 1206233682 /nfs/dbraw/zinc/23/36/82/1206233682.db2.gz UFVIBQIUDLEKMY-MXPCJUPISA-N 2 1 363.502 0.593 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C45CC[NH+](CC4)C5)CCC[C@@H]23)nn1 ZINC001094559718 1206238626 /nfs/dbraw/zinc/23/86/26/1206238626.db2.gz GDUSWKHUMLGPIY-SJLPKXTDSA-N 2 1 358.490 0.772 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)C45CC[NH+](CC4)C5)CCC[C@@H]23)nn1 ZINC001094559718 1206238630 /nfs/dbraw/zinc/23/86/30/1206238630.db2.gz GDUSWKHUMLGPIY-SJLPKXTDSA-N 2 1 358.490 0.772 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578391 1206240319 /nfs/dbraw/zinc/24/03/19/1206240319.db2.gz UUDVXUFGWAKTEM-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578391 1206240322 /nfs/dbraw/zinc/24/03/22/1206240322.db2.gz UUDVXUFGWAKTEM-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCCC2)CC3)C1 ZINC001094578391 1206240326 /nfs/dbraw/zinc/24/03/26/1206240326.db2.gz UUDVXUFGWAKTEM-SQGPQFPESA-N 2 1 362.518 0.921 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC4CCC4)C3)C2)CC[N@H+]1C ZINC001094740710 1206245740 /nfs/dbraw/zinc/24/57/40/1206245740.db2.gz SJPHDMTXBDABSN-RYQLBKOJSA-N 2 1 362.518 0.918 20 0 FCADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568211 1224937759 /nfs/dbraw/zinc/93/77/59/1224937759.db2.gz ASLXUZQLJQXGGT-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568211 1224937771 /nfs/dbraw/zinc/93/77/71/1224937771.db2.gz ASLXUZQLJQXGGT-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568211 1224937778 /nfs/dbraw/zinc/93/77/78/1224937778.db2.gz ASLXUZQLJQXGGT-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001220568211 1224937785 /nfs/dbraw/zinc/93/77/85/1224937785.db2.gz ASLXUZQLJQXGGT-IKGGRYGDSA-N 2 1 368.522 0.281 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001172070424 1206256853 /nfs/dbraw/zinc/25/68/53/1206256853.db2.gz OGUVHNRJWJDOHQ-YRIPFXIYSA-N 2 1 356.518 0.565 20 0 FCADMP [NH3+][C@@H]1NCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001172070424 1206256854 /nfs/dbraw/zinc/25/68/54/1206256854.db2.gz OGUVHNRJWJDOHQ-YRIPFXIYSA-N 2 1 356.518 0.565 20 0 FCADMP CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)n1 ZINC001172142932 1206257702 /nfs/dbraw/zinc/25/77/02/1206257702.db2.gz NQHDBENOFQAAIC-AVOUXACISA-N 2 1 363.462 0.956 20 0 FCADMP CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)n1 ZINC001172142932 1206257705 /nfs/dbraw/zinc/25/77/05/1206257705.db2.gz NQHDBENOFQAAIC-AVOUXACISA-N 2 1 363.462 0.956 20 0 FCADMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172172517 1206259335 /nfs/dbraw/zinc/25/93/35/1206259335.db2.gz FIKWBLPUYCCPGL-CVEARBPZSA-N 2 1 359.474 0.664 20 0 FCADMP COC(=O)c1ccc(C[C@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)cc1 ZINC001173713924 1206286977 /nfs/dbraw/zinc/28/69/77/1206286977.db2.gz HZRXYXRUPLRXKP-WFASDCNBSA-N 2 1 364.446 0.799 20 0 FCADMP O=C(NCC[NH2+]CCO)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178332790 1206355202 /nfs/dbraw/zinc/35/52/02/1206355202.db2.gz LKNAIMQHULQOIZ-VQTJNVASSA-N 2 1 368.481 0.995 20 0 FCADMP OC(C[NH+]1CCC(C2OCCO2)CC1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000773750223 1206359340 /nfs/dbraw/zinc/35/93/40/1206359340.db2.gz XEZBRRPXYULNNA-UHFFFAOYSA-N 2 1 370.490 0.517 20 0 FCADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC001178930500 1206367476 /nfs/dbraw/zinc/36/74/76/1206367476.db2.gz DEOBKYYREOXAPZ-SJORKVTESA-N 2 1 371.489 0.972 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220583317 1224948862 /nfs/dbraw/zinc/94/88/62/1224948862.db2.gz TZLSWOZKKYQREU-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001220583317 1224948872 /nfs/dbraw/zinc/94/88/72/1224948872.db2.gz TZLSWOZKKYQREU-MOPGFXCFSA-N 2 1 371.485 0.875 20 0 FCADMP C[N@@H+](C1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991094 1206369614 /nfs/dbraw/zinc/36/96/14/1206369614.db2.gz JHVUJQIRBGJKBQ-HKUYNNGSSA-N 2 1 359.470 0.819 20 0 FCADMP CN(C1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991094 1206369616 /nfs/dbraw/zinc/36/96/16/1206369616.db2.gz JHVUJQIRBGJKBQ-HKUYNNGSSA-N 2 1 359.470 0.819 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001180759310 1206398786 /nfs/dbraw/zinc/39/87/86/1206398786.db2.gz OJWWTVATGJLCDU-QGZVFWFLSA-N 2 1 367.490 0.583 20 0 FCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001180759310 1206398788 /nfs/dbraw/zinc/39/87/88/1206398788.db2.gz OJWWTVATGJLCDU-QGZVFWFLSA-N 2 1 367.490 0.583 20 0 FCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001181980190 1206418031 /nfs/dbraw/zinc/41/80/31/1206418031.db2.gz XXMMBAVYFUAPCS-KRWDZBQOSA-N 2 1 374.533 0.703 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273512000 1206488715 /nfs/dbraw/zinc/48/87/15/1206488715.db2.gz OYGHRAMKLGHTDH-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(C2)C[NH+](CCn2ccnc2)CCO3)C1 ZINC001273512000 1206488716 /nfs/dbraw/zinc/48/87/16/1206488716.db2.gz OYGHRAMKLGHTDH-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@@]3(C2)C[N@H+](CCn2ccnc2)CCO3)C1 ZINC001273512000 1206488717 /nfs/dbraw/zinc/48/87/17/1206488717.db2.gz OYGHRAMKLGHTDH-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[C@@]3(C2)C[N@@H+](CCn2ccnc2)CCO3)C1 ZINC001273512000 1206488718 /nfs/dbraw/zinc/48/87/18/1206488718.db2.gz OYGHRAMKLGHTDH-MJGOQNOKSA-N 2 1 361.490 0.528 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC4CC[NH+]2CC4)C3)C1 ZINC001273512799 1206490702 /nfs/dbraw/zinc/49/07/02/1206490702.db2.gz YDYRISAMLIHXAR-IRXDYDNUSA-N 2 1 360.502 0.483 20 0 FCADMP C[C@@H]1CCN(C(=O)CN2CC[C@H](O)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001186044448 1206492019 /nfs/dbraw/zinc/49/20/19/1206492019.db2.gz HBOCRECOGMEUEX-YCPHGPKFSA-N 2 1 372.473 0.698 20 0 FCADMP COC(=O)[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001186115530 1206493790 /nfs/dbraw/zinc/49/37/90/1206493790.db2.gz BYICVZPVVPADBI-IMBTUZDBSA-N 2 1 357.454 0.728 20 0 FCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001186115530 1206493794 /nfs/dbraw/zinc/49/37/94/1206493794.db2.gz BYICVZPVVPADBI-IMBTUZDBSA-N 2 1 357.454 0.728 20 0 FCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001186115530 1206493797 /nfs/dbraw/zinc/49/37/97/1206493797.db2.gz BYICVZPVVPADBI-IMBTUZDBSA-N 2 1 357.454 0.728 20 0 FCADMP COC(=O)[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001186115530 1206493799 /nfs/dbraw/zinc/49/37/99/1206493799.db2.gz BYICVZPVVPADBI-IMBTUZDBSA-N 2 1 357.454 0.728 20 0 FCADMP COC(=O)[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001186115530 1206493802 /nfs/dbraw/zinc/49/38/02/1206493802.db2.gz BYICVZPVVPADBI-IMBTUZDBSA-N 2 1 357.454 0.728 20 0 FCADMP C[NH+](C)CCCn1cc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cn1 ZINC001186942666 1206510012 /nfs/dbraw/zinc/51/00/12/1206510012.db2.gz FUTPPLDFAQZGTK-UHFFFAOYSA-N 2 1 374.493 0.483 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001220637340 1224979663 /nfs/dbraw/zinc/97/96/63/1224979663.db2.gz BXVXBHRGUAZCGS-BBWFWOEESA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220642459 1224980460 /nfs/dbraw/zinc/98/04/60/1224980460.db2.gz BVNWRUBBRZWCOF-JQHSSLGASA-N 2 1 369.506 0.218 20 0 FCADMP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001220642688 1224982790 /nfs/dbraw/zinc/98/27/90/1224982790.db2.gz IMPFRURECFWDON-SQNIBIBYSA-N 2 1 369.506 0.074 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944634 1207404079 /nfs/dbraw/zinc/40/40/79/1207404079.db2.gz LOLJVOVVFFVDNS-RCCFBDPRSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944634 1207404083 /nfs/dbraw/zinc/40/40/83/1207404083.db2.gz LOLJVOVVFFVDNS-RCCFBDPRSA-N 2 1 362.518 0.728 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944967 1207404090 /nfs/dbraw/zinc/40/40/90/1207404090.db2.gz RDIJISNFSXDHFL-YESZJQIVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944967 1207404095 /nfs/dbraw/zinc/40/40/95/1207404095.db2.gz RDIJISNFSXDHFL-YESZJQIVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944630 1207404123 /nfs/dbraw/zinc/40/41/23/1207404123.db2.gz LGMPFTSWKKQCOQ-RCCFBDPRSA-N 2 1 362.518 0.633 20 0 FCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944630 1207404127 /nfs/dbraw/zinc/40/41/27/1207404127.db2.gz LGMPFTSWKKQCOQ-RCCFBDPRSA-N 2 1 362.518 0.633 20 0 FCADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187971476 1207404862 /nfs/dbraw/zinc/40/48/62/1207404862.db2.gz MIGKCPBQHWPXIA-YESZJQIVSA-N 2 1 364.490 0.938 20 0 FCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187971476 1207404868 /nfs/dbraw/zinc/40/48/68/1207404868.db2.gz MIGKCPBQHWPXIA-YESZJQIVSA-N 2 1 364.490 0.938 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245776 1207433821 /nfs/dbraw/zinc/43/38/21/1207433821.db2.gz AUGAWAUWHWCQEQ-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245776 1207433823 /nfs/dbraw/zinc/43/38/23/1207433823.db2.gz AUGAWAUWHWCQEQ-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188245776 1207433826 /nfs/dbraw/zinc/43/38/26/1207433826.db2.gz AUGAWAUWHWCQEQ-OKZBNKHCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCN(Cc2ccccc2C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001188366197 1207446934 /nfs/dbraw/zinc/44/69/34/1207446934.db2.gz RDLXQOILCXLFPP-UHFFFAOYSA-N 2 1 373.545 0.801 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001188563117 1207463792 /nfs/dbraw/zinc/46/37/92/1207463792.db2.gz YXBWILUUBRKXPX-JKSUJKDBSA-N 2 1 362.478 0.432 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001188563117 1207463797 /nfs/dbraw/zinc/46/37/97/1207463797.db2.gz YXBWILUUBRKXPX-JKSUJKDBSA-N 2 1 362.478 0.432 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026089 1207500690 /nfs/dbraw/zinc/50/06/90/1207500690.db2.gz HVRKSNXZTPMGTN-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026089 1207500694 /nfs/dbraw/zinc/50/06/94/1207500694.db2.gz HVRKSNXZTPMGTN-IXDOHACOSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001189110481 1207501482 /nfs/dbraw/zinc/50/14/82/1207501482.db2.gz PSTIZUIDGJFYPO-GVDBMIGSSA-N 2 1 365.522 0.665 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117753 1207502465 /nfs/dbraw/zinc/50/24/65/1207502465.db2.gz LYRIWJMKMVTBFW-RYQLBKOJSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117753 1207502478 /nfs/dbraw/zinc/50/24/78/1207502478.db2.gz LYRIWJMKMVTBFW-RYQLBKOJSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117753 1207502483 /nfs/dbraw/zinc/50/24/83/1207502483.db2.gz LYRIWJMKMVTBFW-RYQLBKOJSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189117753 1207502495 /nfs/dbraw/zinc/50/24/95/1207502495.db2.gz LYRIWJMKMVTBFW-RYQLBKOJSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391018 1207538036 /nfs/dbraw/zinc/53/80/36/1207538036.db2.gz NSANZLKFAIDWSK-XYJFISCASA-N 2 1 363.506 0.752 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786307 1207600891 /nfs/dbraw/zinc/60/08/91/1207600891.db2.gz DAQUJEUOPBIUDY-YESZJQIVSA-N 2 1 365.522 0.569 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786307 1207600895 /nfs/dbraw/zinc/60/08/95/1207600895.db2.gz DAQUJEUOPBIUDY-YESZJQIVSA-N 2 1 365.522 0.569 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189820167 1207606218 /nfs/dbraw/zinc/60/62/18/1207606218.db2.gz SYYCTMZWTIBTNO-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001189820167 1207606225 /nfs/dbraw/zinc/60/62/25/1207606225.db2.gz SYYCTMZWTIBTNO-HYVNUMGLSA-N 2 1 366.506 0.012 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801220 1207609969 /nfs/dbraw/zinc/60/99/69/1207609969.db2.gz BZRWFDAKLLZSQZ-YESZJQIVSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801220 1207609971 /nfs/dbraw/zinc/60/99/71/1207609971.db2.gz BZRWFDAKLLZSQZ-YESZJQIVSA-N 2 1 362.518 0.776 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801387 1207610462 /nfs/dbraw/zinc/61/04/62/1207610462.db2.gz DRPJDCJJZFBLMP-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801387 1207610465 /nfs/dbraw/zinc/61/04/65/1207610465.db2.gz DRPJDCJJZFBLMP-YESZJQIVSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001190238318 1207667229 /nfs/dbraw/zinc/66/72/29/1207667229.db2.gz KYBRTOYPJOZLLS-BFYDXBDKSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001190238318 1207667235 /nfs/dbraw/zinc/66/72/35/1207667235.db2.gz KYBRTOYPJOZLLS-BFYDXBDKSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCc3ccco3)C2)CC[NH+]1C ZINC001190238318 1207667242 /nfs/dbraw/zinc/66/72/42/1207667242.db2.gz KYBRTOYPJOZLLS-BFYDXBDKSA-N 2 1 362.474 0.769 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCc3ccco3)C2)CC[NH+]1C ZINC001190238318 1207667244 /nfs/dbraw/zinc/66/72/44/1207667244.db2.gz KYBRTOYPJOZLLS-BFYDXBDKSA-N 2 1 362.474 0.769 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263678 1207670324 /nfs/dbraw/zinc/67/03/24/1207670324.db2.gz YLEWOENRGMOUOI-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP CCN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263678 1207670325 /nfs/dbraw/zinc/67/03/25/1207670325.db2.gz YLEWOENRGMOUOI-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486375 1207688598 /nfs/dbraw/zinc/68/85/98/1207688598.db2.gz CUJSZCCMMGAJGD-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486375 1207688601 /nfs/dbraw/zinc/68/86/01/1207688601.db2.gz CUJSZCCMMGAJGD-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486375 1207688606 /nfs/dbraw/zinc/68/86/06/1207688606.db2.gz CUJSZCCMMGAJGD-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001190486375 1207688609 /nfs/dbraw/zinc/68/86/09/1207688609.db2.gz CUJSZCCMMGAJGD-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001190467574 1207691237 /nfs/dbraw/zinc/69/12/37/1207691237.db2.gz VHUUEASMGWIFRO-RBUKOAKNSA-N 2 1 368.485 0.943 20 0 FCADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001190467574 1207691245 /nfs/dbraw/zinc/69/12/45/1207691245.db2.gz VHUUEASMGWIFRO-RBUKOAKNSA-N 2 1 368.485 0.943 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001190467574 1207691248 /nfs/dbraw/zinc/69/12/48/1207691248.db2.gz VHUUEASMGWIFRO-RBUKOAKNSA-N 2 1 368.485 0.943 20 0 FCADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001190467574 1207691252 /nfs/dbraw/zinc/69/12/52/1207691252.db2.gz VHUUEASMGWIFRO-RBUKOAKNSA-N 2 1 368.485 0.943 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688240 1225015401 /nfs/dbraw/zinc/01/54/01/1225015401.db2.gz BBFJGUPEUDDTDL-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688240 1225015410 /nfs/dbraw/zinc/01/54/10/1225015410.db2.gz BBFJGUPEUDDTDL-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)OC)C[C@@H]1O ZINC001220688240 1225015420 /nfs/dbraw/zinc/01/54/20/1225015420.db2.gz BBFJGUPEUDDTDL-OTWHNJEPSA-N 2 1 363.502 0.747 20 0 FCADMP Cc1noc(CCC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001190901634 1207732428 /nfs/dbraw/zinc/73/24/28/1207732428.db2.gz ZWCZXYXAERVDMT-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001190901634 1207732433 /nfs/dbraw/zinc/73/24/33/1207732433.db2.gz ZWCZXYXAERVDMT-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001190901634 1207732439 /nfs/dbraw/zinc/73/24/39/1207732439.db2.gz ZWCZXYXAERVDMT-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP Cc1noc(CCC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001190901634 1207732444 /nfs/dbraw/zinc/73/24/44/1207732444.db2.gz ZWCZXYXAERVDMT-FVQBIDKESA-N 2 1 365.478 0.562 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001193456956 1207877363 /nfs/dbraw/zinc/87/73/63/1207877363.db2.gz ZVTFMMGMPLBHOZ-KZNAEPCWSA-N 2 1 367.465 0.907 20 0 FCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001193456956 1207877364 /nfs/dbraw/zinc/87/73/64/1207877364.db2.gz ZVTFMMGMPLBHOZ-KZNAEPCWSA-N 2 1 367.465 0.907 20 0 FCADMP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001193745482 1207887184 /nfs/dbraw/zinc/88/71/84/1207887184.db2.gz GIEOIQGKSLTKPC-QZTJIDSGSA-N 2 1 361.486 0.979 20 0 FCADMP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001193745482 1207887186 /nfs/dbraw/zinc/88/71/86/1207887186.db2.gz GIEOIQGKSLTKPC-QZTJIDSGSA-N 2 1 361.486 0.979 20 0 FCADMP CCOc1cccc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001193791629 1207889434 /nfs/dbraw/zinc/88/94/34/1207889434.db2.gz NQIKDPPDWDXNAJ-IAGOWNOFSA-N 2 1 362.474 0.626 20 0 FCADMP CC[N@@H+](C)CC(=O)N1CCn2c(C(=O)NC3CC[NH+](C)CC3)cnc2C1 ZINC001273665733 1207893096 /nfs/dbraw/zinc/89/30/96/1207893096.db2.gz CZVRPZHUMKPSQV-UHFFFAOYSA-N 2 1 362.478 0.001 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892267 1207897165 /nfs/dbraw/zinc/89/71/65/1207897165.db2.gz HQFCPASOKGLUDN-GVDBMIGSSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892267 1207897166 /nfs/dbraw/zinc/89/71/66/1207897166.db2.gz HQFCPASOKGLUDN-GVDBMIGSSA-N 2 1 366.506 0.035 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001193892267 1207897169 /nfs/dbraw/zinc/89/71/69/1207897169.db2.gz HQFCPASOKGLUDN-GVDBMIGSSA-N 2 1 366.506 0.035 20 0 FCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901480 1207897919 /nfs/dbraw/zinc/89/79/19/1207897919.db2.gz FZJDFDYSDAYHBE-IPMKNSEASA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901480 1207897921 /nfs/dbraw/zinc/89/79/21/1207897921.db2.gz FZJDFDYSDAYHBE-IPMKNSEASA-N 2 1 361.486 0.715 20 0 FCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001193901480 1207897923 /nfs/dbraw/zinc/89/79/23/1207897923.db2.gz FZJDFDYSDAYHBE-IPMKNSEASA-N 2 1 361.486 0.715 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001194054334 1207911477 /nfs/dbraw/zinc/91/14/77/1207911477.db2.gz JRMOZQZPJQGFKC-MYKOSXHISA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001194054334 1207911480 /nfs/dbraw/zinc/91/14/80/1207911480.db2.gz JRMOZQZPJQGFKC-MYKOSXHISA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001194054334 1207911485 /nfs/dbraw/zinc/91/14/85/1207911485.db2.gz JRMOZQZPJQGFKC-MYKOSXHISA-N 2 1 373.497 0.970 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001194054334 1207911489 /nfs/dbraw/zinc/91/14/89/1207911489.db2.gz JRMOZQZPJQGFKC-MYKOSXHISA-N 2 1 373.497 0.970 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194306778 1207930093 /nfs/dbraw/zinc/93/00/93/1207930093.db2.gz AOIKSTUVKSETPB-IAGOWNOFSA-N 2 1 362.430 0.081 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289278 1207934676 /nfs/dbraw/zinc/93/46/76/1207934676.db2.gz HAWDEUVXWYJERL-RCCFBDPRSA-N 2 1 362.474 0.638 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194960690 1207983837 /nfs/dbraw/zinc/98/38/37/1207983837.db2.gz CBAYXUCRYSPXMY-RTBURBONSA-N 2 1 363.502 0.991 20 0 FCADMP CCOc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195859428 1208041788 /nfs/dbraw/zinc/04/17/88/1208041788.db2.gz IZZNBPCSOSHABL-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP CCOc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195859428 1208041790 /nfs/dbraw/zinc/04/17/90/1208041790.db2.gz IZZNBPCSOSHABL-QZTJIDSGSA-N 2 1 365.474 0.577 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCOCc2ccccc2)C[C@H]1O ZINC001196169374 1208063311 /nfs/dbraw/zinc/06/33/11/1208063311.db2.gz RMARTXFLHHSHRF-QXAKKESOSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001196169374 1208063314 /nfs/dbraw/zinc/06/33/14/1208063314.db2.gz RMARTXFLHHSHRF-QXAKKESOSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001196169374 1208063317 /nfs/dbraw/zinc/06/33/17/1208063317.db2.gz RMARTXFLHHSHRF-QXAKKESOSA-N 2 1 361.486 0.849 20 0 FCADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001196169374 1208063318 /nfs/dbraw/zinc/06/33/18/1208063318.db2.gz RMARTXFLHHSHRF-QXAKKESOSA-N 2 1 361.486 0.849 20 0 FCADMP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196214469 1208067919 /nfs/dbraw/zinc/06/79/19/1208067919.db2.gz CTZKNZGNGZWTPQ-RTBURBONSA-N 2 1 363.502 0.747 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196214469 1208067921 /nfs/dbraw/zinc/06/79/21/1208067921.db2.gz CTZKNZGNGZWTPQ-RTBURBONSA-N 2 1 363.502 0.747 20 0 FCADMP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196214469 1208067923 /nfs/dbraw/zinc/06/79/23/1208067923.db2.gz CTZKNZGNGZWTPQ-RTBURBONSA-N 2 1 363.502 0.747 20 0 FCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[N@@H+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001196268234 1208069821 /nfs/dbraw/zinc/06/98/21/1208069821.db2.gz DCYAJWADQBDRAI-KZNAEPCWSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001196268234 1208069824 /nfs/dbraw/zinc/06/98/24/1208069824.db2.gz DCYAJWADQBDRAI-KZNAEPCWSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001196268234 1208069826 /nfs/dbraw/zinc/06/98/26/1208069826.db2.gz DCYAJWADQBDRAI-KZNAEPCWSA-N 2 1 369.506 0.435 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001196268234 1208069831 /nfs/dbraw/zinc/06/98/31/1208069831.db2.gz DCYAJWADQBDRAI-KZNAEPCWSA-N 2 1 369.506 0.435 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001196638508 1208098545 /nfs/dbraw/zinc/09/85/45/1208098545.db2.gz UNTAEMVPZPRDSY-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001196638508 1208098547 /nfs/dbraw/zinc/09/85/47/1208098547.db2.gz UNTAEMVPZPRDSY-KZNAEPCWSA-N 2 1 369.506 0.075 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001196939867 1208123909 /nfs/dbraw/zinc/12/39/09/1208123909.db2.gz MCGROZLBWXVDGY-RCCFBDPRSA-N 2 1 369.506 0.077 20 0 FCADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001196939867 1208123912 /nfs/dbraw/zinc/12/39/12/1208123912.db2.gz MCGROZLBWXVDGY-RCCFBDPRSA-N 2 1 369.506 0.077 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197057551 1208132146 /nfs/dbraw/zinc/13/21/46/1208132146.db2.gz DGBMTGUQNOZYCB-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197057551 1208132150 /nfs/dbraw/zinc/13/21/50/1208132150.db2.gz DGBMTGUQNOZYCB-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CC1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197140028 1208137992 /nfs/dbraw/zinc/13/79/92/1208137992.db2.gz QWHKOCJBTYCUOT-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197140028 1208137995 /nfs/dbraw/zinc/13/79/95/1208137995.db2.gz QWHKOCJBTYCUOT-RCCFBDPRSA-N 2 1 369.506 0.075 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001197319464 1208152691 /nfs/dbraw/zinc/15/26/91/1208152691.db2.gz IMPFRURECFWDON-KZNAEPCWSA-N 2 1 369.506 0.074 20 0 FCADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197320097 1208153254 /nfs/dbraw/zinc/15/32/54/1208153254.db2.gz VNXQVYQOBLEVAJ-KBAYOESNSA-N 2 1 369.506 0.075 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536259 1208171591 /nfs/dbraw/zinc/17/15/91/1208171591.db2.gz QLGYGABUVFAWCR-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536259 1208171592 /nfs/dbraw/zinc/17/15/92/1208171592.db2.gz QLGYGABUVFAWCR-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001197536259 1208171593 /nfs/dbraw/zinc/17/15/93/1208171593.db2.gz QLGYGABUVFAWCR-KZNAEPCWSA-N 2 1 367.465 0.232 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001197775877 1208196218 /nfs/dbraw/zinc/19/62/18/1208196218.db2.gz PCEVSGNYJZMSDV-QXAKKESOSA-N 2 1 361.486 0.959 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@H]2O)C1 ZINC001197775877 1208196220 /nfs/dbraw/zinc/19/62/20/1208196220.db2.gz PCEVSGNYJZMSDV-QXAKKESOSA-N 2 1 361.486 0.959 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198038212 1208216356 /nfs/dbraw/zinc/21/63/56/1208216356.db2.gz KTGQHUCFYVYFBV-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198038212 1208216359 /nfs/dbraw/zinc/21/63/59/1208216359.db2.gz KTGQHUCFYVYFBV-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198038212 1208216363 /nfs/dbraw/zinc/21/63/63/1208216363.db2.gz KTGQHUCFYVYFBV-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198038212 1208216365 /nfs/dbraw/zinc/21/63/65/1208216365.db2.gz KTGQHUCFYVYFBV-KZNAEPCWSA-N 2 1 371.522 0.465 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199057603 1208314660 /nfs/dbraw/zinc/31/46/60/1208314660.db2.gz NOWJWBUIDCFNRN-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199057603 1208314663 /nfs/dbraw/zinc/31/46/63/1208314663.db2.gz NOWJWBUIDCFNRN-RCCFBDPRSA-N 2 1 369.506 0.219 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057518 1208314785 /nfs/dbraw/zinc/31/47/85/1208314785.db2.gz LQENEDSLWBKIGF-RCCFBDPRSA-N 2 1 371.522 0.057 20 0 FCADMP CC(C)N(C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(C)C ZINC001199103894 1208318804 /nfs/dbraw/zinc/31/88/04/1208318804.db2.gz DNWLXCFISDVVIL-GVDBMIGSSA-N 2 1 370.538 0.522 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385361 1208345572 /nfs/dbraw/zinc/34/55/72/1208345572.db2.gz SZZABOVUTLTCRB-IPMKNSEASA-N 2 1 361.486 0.849 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385361 1208345575 /nfs/dbraw/zinc/34/55/75/1208345575.db2.gz SZZABOVUTLTCRB-IPMKNSEASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385361 1208345578 /nfs/dbraw/zinc/34/55/78/1208345578.db2.gz SZZABOVUTLTCRB-IPMKNSEASA-N 2 1 361.486 0.849 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199385361 1208345581 /nfs/dbraw/zinc/34/55/81/1208345581.db2.gz SZZABOVUTLTCRB-IPMKNSEASA-N 2 1 361.486 0.849 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199398934 1208348871 /nfs/dbraw/zinc/34/88/71/1208348871.db2.gz ZPZGUXPHCPMUAC-GVDBMIGSSA-N 2 1 366.462 0.020 20 0 FCADMP C[N@H+]1CCC[C@H](C(=O)N2CC3(CCN3C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001273835736 1208407015 /nfs/dbraw/zinc/40/70/15/1208407015.db2.gz QIIIAGGIECRSLA-DLBZAZTESA-N 2 1 360.502 0.626 20 0 FCADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@@H]1O ZINC001220768663 1225062639 /nfs/dbraw/zinc/06/26/39/1225062639.db2.gz XGEMIXSGMWVTGO-FZWSFRSISA-N 2 1 361.486 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCO[C@H]2CCOC2)[C@@H]1C ZINC001691702418 1208419758 /nfs/dbraw/zinc/41/97/58/1208419758.db2.gz PENVDUCCJHJLSE-IKGGRYGDSA-N 2 1 350.463 0.966 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCO[C@H]2CCOC2)[C@@H]1C ZINC001691702418 1208419762 /nfs/dbraw/zinc/41/97/62/1208419762.db2.gz PENVDUCCJHJLSE-IKGGRYGDSA-N 2 1 350.463 0.966 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001110569418 1208462866 /nfs/dbraw/zinc/46/28/66/1208462866.db2.gz NBOHJXWGZXSROW-TVFCKZIOSA-N 2 1 360.502 0.576 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001110569418 1208462869 /nfs/dbraw/zinc/46/28/69/1208462869.db2.gz NBOHJXWGZXSROW-TVFCKZIOSA-N 2 1 360.502 0.576 20 0 FCADMP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001110569419 1208463030 /nfs/dbraw/zinc/46/30/30/1208463030.db2.gz NBOHJXWGZXSROW-XDNAFOTISA-N 2 1 360.502 0.576 20 0 FCADMP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)C1CC1 ZINC001110569419 1208463037 /nfs/dbraw/zinc/46/30/37/1208463037.db2.gz NBOHJXWGZXSROW-XDNAFOTISA-N 2 1 360.502 0.576 20 0 FCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569233 1208463137 /nfs/dbraw/zinc/46/31/37/1208463137.db2.gz HFLLUOIEDWCZNT-XDNAFOTISA-N 2 1 362.518 0.917 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569233 1208463146 /nfs/dbraw/zinc/46/31/46/1208463146.db2.gz HFLLUOIEDWCZNT-XDNAFOTISA-N 2 1 362.518 0.917 20 0 FCADMP CC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569613 1208464175 /nfs/dbraw/zinc/46/41/75/1208464175.db2.gz TTZLBYBDPKPHPH-TWMKSMIVSA-N 2 1 362.518 0.964 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569613 1208464177 /nfs/dbraw/zinc/46/41/77/1208464177.db2.gz TTZLBYBDPKPHPH-TWMKSMIVSA-N 2 1 362.518 0.964 20 0 FCADMP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575276 1208480968 /nfs/dbraw/zinc/48/09/68/1208480968.db2.gz DJDSEDSGTROJCI-HHARLNAUSA-N 2 1 366.506 0.201 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C ZINC001488409090 1208509023 /nfs/dbraw/zinc/50/90/23/1208509023.db2.gz JHFGOEQFRACRGA-OWCLPIDISA-N 2 1 370.538 0.240 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001488409090 1208509029 /nfs/dbraw/zinc/50/90/29/1208509029.db2.gz JHFGOEQFRACRGA-OWCLPIDISA-N 2 1 370.538 0.240 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001488409090 1208509042 /nfs/dbraw/zinc/50/90/42/1208509042.db2.gz JHFGOEQFRACRGA-OWCLPIDISA-N 2 1 370.538 0.240 20 0 FCADMP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2C1 ZINC001489199133 1208660875 /nfs/dbraw/zinc/66/08/75/1208660875.db2.gz CGCILPMGHDQHLT-MSOLQXFVSA-N 2 1 358.486 0.427 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001489199133 1208660879 /nfs/dbraw/zinc/66/08/79/1208660879.db2.gz CGCILPMGHDQHLT-MSOLQXFVSA-N 2 1 358.486 0.427 20 0 FCADMP C[NH+](CCc1ccccc1)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001489199133 1208660885 /nfs/dbraw/zinc/66/08/85/1208660885.db2.gz CGCILPMGHDQHLT-MSOLQXFVSA-N 2 1 358.486 0.427 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]C1 ZINC001220827069 1225092005 /nfs/dbraw/zinc/09/20/05/1225092005.db2.gz GMKIWLNJXDYRGP-KRWDZBQOSA-N 2 1 359.426 0.424 20 0 FCADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]C1 ZINC001220827069 1225092009 /nfs/dbraw/zinc/09/20/09/1225092009.db2.gz GMKIWLNJXDYRGP-KRWDZBQOSA-N 2 1 359.426 0.424 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829471 1225093609 /nfs/dbraw/zinc/09/36/09/1225093609.db2.gz UTUSNFVOLAEMEX-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829471 1225093612 /nfs/dbraw/zinc/09/36/12/1225093612.db2.gz UTUSNFVOLAEMEX-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829471 1225093618 /nfs/dbraw/zinc/09/36/18/1225093618.db2.gz UTUSNFVOLAEMEX-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220829471 1225093624 /nfs/dbraw/zinc/09/36/24/1225093624.db2.gz UTUSNFVOLAEMEX-KSZLIROESA-N 2 1 367.465 0.232 20 0 FCADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cn21 ZINC001220896351 1225128419 /nfs/dbraw/zinc/12/84/19/1225128419.db2.gz JZKQVRWWMUYNND-GJZGRUSLSA-N 2 1 357.462 0.129 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cn21 ZINC001220896351 1225128421 /nfs/dbraw/zinc/12/84/21/1225128421.db2.gz JZKQVRWWMUYNND-GJZGRUSLSA-N 2 1 357.462 0.129 20 0 FCADMP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220903523 1225131595 /nfs/dbraw/zinc/13/15/95/1225131595.db2.gz UIKWCPOHYBUCCI-LJQANCHMSA-N 3 1 374.529 0.989 20 0 FCADMP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)cc1 ZINC001220903523 1225131597 /nfs/dbraw/zinc/13/15/97/1225131597.db2.gz UIKWCPOHYBUCCI-LJQANCHMSA-N 2 1 374.529 0.989 20 0 FCADMP COc1ccc(F)c(C[NH+]2CCC(NC(=O)C3(N)CC[NH2+]CC3)CC2)c1 ZINC001220910984 1225135687 /nfs/dbraw/zinc/13/56/87/1225135687.db2.gz BBSPBMUQZCONIV-UHFFFAOYSA-N 2 1 364.465 0.996 20 0 FCADMP CC(CN1CC[C@@H](N2CCOC2=O)C1)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437569 1209549019 /nfs/dbraw/zinc/54/90/19/1209549019.db2.gz YXANDDQXPSAZAD-HZPDHXFCSA-N 2 1 366.462 0.676 20 0 FCADMP CC(C[NH+]1CC[C@@H](N2CCOC2=O)C1)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437569 1209549024 /nfs/dbraw/zinc/54/90/24/1209549024.db2.gz YXANDDQXPSAZAD-HZPDHXFCSA-N 2 1 366.462 0.676 20 0 FCADMP CC(C[NH+]1CC[C@@H](N2CCOC2=O)C1)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437569 1209549031 /nfs/dbraw/zinc/54/90/31/1209549031.db2.gz YXANDDQXPSAZAD-HZPDHXFCSA-N 2 1 366.462 0.676 20 0 FCADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001220928027 1225145474 /nfs/dbraw/zinc/14/54/74/1225145474.db2.gz DVQFIESYYIMHDK-IRXDYDNUSA-N 2 1 374.485 0.726 20 0 FCADMP CC(C)C[C@H](NC(=O)CC[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854633216 1209636967 /nfs/dbraw/zinc/63/69/67/1209636967.db2.gz SMILZWCQFTWJTN-SJORKVTESA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110715434 1209732706 /nfs/dbraw/zinc/73/27/06/1209732706.db2.gz YUVJRDBVGQLYIV-WCVJEAGWSA-N 2 1 366.506 0.330 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110715434 1209732719 /nfs/dbraw/zinc/73/27/19/1209732719.db2.gz YUVJRDBVGQLYIV-WCVJEAGWSA-N 2 1 366.506 0.330 20 0 FCADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087284 1209738992 /nfs/dbraw/zinc/73/89/92/1209738992.db2.gz RTOUPJPVXFZWJU-SUMWQHHRSA-N 2 1 363.462 0.476 20 0 FCADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000857087284 1209738996 /nfs/dbraw/zinc/73/89/96/1209738996.db2.gz RTOUPJPVXFZWJU-SUMWQHHRSA-N 2 1 363.462 0.476 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCCOC ZINC001110738565 1209771259 /nfs/dbraw/zinc/77/12/59/1209771259.db2.gz IFTOVXCZVIBNKZ-VQHPVUNQSA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCCOC ZINC001110738565 1209771262 /nfs/dbraw/zinc/77/12/62/1209771262.db2.gz IFTOVXCZVIBNKZ-VQHPVUNQSA-N 2 1 371.522 0.462 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCCOC ZINC001110738565 1209771265 /nfs/dbraw/zinc/77/12/65/1209771265.db2.gz IFTOVXCZVIBNKZ-VQHPVUNQSA-N 2 1 371.522 0.462 20 0 FCADMP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000858192577 1209779527 /nfs/dbraw/zinc/77/95/27/1209779527.db2.gz NLDUPHWKYYQKCU-DLBZAZTESA-N 2 1 366.506 0.746 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001110746471 1209788848 /nfs/dbraw/zinc/78/88/48/1209788848.db2.gz OPSMLNPYYSJFBS-NCOADZHNSA-N 2 1 357.458 0.518 20 0 FCADMP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001110746471 1209788853 /nfs/dbraw/zinc/78/88/53/1209788853.db2.gz OPSMLNPYYSJFBS-NCOADZHNSA-N 2 1 357.458 0.518 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746950 1209792032 /nfs/dbraw/zinc/79/20/32/1209792032.db2.gz HWUYMQHRZUMYMQ-NCOADZHNSA-N 2 1 359.474 0.893 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746950 1209792034 /nfs/dbraw/zinc/79/20/34/1209792034.db2.gz HWUYMQHRZUMYMQ-NCOADZHNSA-N 2 1 359.474 0.893 20 0 FCADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000861759300 1209880194 /nfs/dbraw/zinc/88/01/94/1209880194.db2.gz JKQMCWLQJVAWCY-CVEARBPZSA-N 2 1 361.490 0.119 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861756851 1209880302 /nfs/dbraw/zinc/88/03/02/1209880302.db2.gz BNELHWBCPDAUME-JKSUJKDBSA-N 2 1 361.490 0.119 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001220977946 1225169864 /nfs/dbraw/zinc/16/98/64/1225169864.db2.gz GGZNWOSYMYVOOP-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001220977946 1225169869 /nfs/dbraw/zinc/16/98/69/1225169869.db2.gz GGZNWOSYMYVOOP-MOPGFXCFSA-N 2 1 361.486 0.850 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994326 1225179074 /nfs/dbraw/zinc/17/90/74/1225179074.db2.gz LZURZWVIIOYNBD-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994326 1225179079 /nfs/dbraw/zinc/17/90/79/1225179079.db2.gz LZURZWVIIOYNBD-IKGGRYGDSA-N 2 1 366.506 0.035 20 0 FCADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001221008144 1225184495 /nfs/dbraw/zinc/18/44/95/1225184495.db2.gz KXIGDQFXAVABLI-YOEHRIQHSA-N 3 1 372.473 0.398 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000875068626 1210334109 /nfs/dbraw/zinc/33/41/09/1210334109.db2.gz OTBKXJUYHOLCMY-UHFFFAOYSA-N 2 1 365.522 0.668 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062644 1225205435 /nfs/dbraw/zinc/20/54/35/1225205435.db2.gz VVLJOBWGTLJPDL-BBWFWOEESA-N 2 1 368.522 0.281 20 0 FCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062644 1225205440 /nfs/dbraw/zinc/20/54/40/1225205440.db2.gz VVLJOBWGTLJPDL-BBWFWOEESA-N 2 1 368.522 0.281 20 0 FCADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000876781526 1210430215 /nfs/dbraw/zinc/43/02/15/1210430215.db2.gz HWEXULWWCDBGRZ-DOTOQJQBSA-N 2 1 362.522 0.729 20 0 FCADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221073461 1225211587 /nfs/dbraw/zinc/21/15/87/1225211587.db2.gz XMYJSYNKECYPDQ-QRVBRYPASA-N 2 1 367.534 0.965 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000877229404 1210439815 /nfs/dbraw/zinc/43/98/15/1210439815.db2.gz LZFRVQHIHAYXHT-NSHGMRRFSA-N 2 1 359.470 0.548 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000877229404 1210439820 /nfs/dbraw/zinc/43/98/20/1210439820.db2.gz LZFRVQHIHAYXHT-NSHGMRRFSA-N 2 1 359.470 0.548 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095696 1225221334 /nfs/dbraw/zinc/22/13/34/1225221334.db2.gz HUICRVIRUYBASX-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221095696 1225221336 /nfs/dbraw/zinc/22/13/36/1225221336.db2.gz HUICRVIRUYBASX-FGTMMUONSA-N 2 1 363.506 0.555 20 0 FCADMP CC(=O)N1C[C@@H]2C[NH+](CCCC[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@@H]2C1 ZINC000880311662 1210527485 /nfs/dbraw/zinc/52/74/85/1210527485.db2.gz LJLRYLVTJSWRMY-FGYAAKKASA-N 2 1 362.518 0.587 20 0 FCADMP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221091572 1225217546 /nfs/dbraw/zinc/21/75/46/1225217546.db2.gz QVMAPRXFDKIPTF-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221091572 1225217554 /nfs/dbraw/zinc/21/75/54/1225217554.db2.gz QVMAPRXFDKIPTF-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221091572 1225217559 /nfs/dbraw/zinc/21/75/59/1225217559.db2.gz QVMAPRXFDKIPTF-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)cc1 ZINC001221091572 1225217561 /nfs/dbraw/zinc/21/75/61/1225217561.db2.gz QVMAPRXFDKIPTF-MSOLQXFVSA-N 2 1 365.474 0.576 20 0 FCADMP COc1cccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091172 1225218071 /nfs/dbraw/zinc/21/80/71/1225218071.db2.gz DSZHLTYQEVMMMJ-SQNIBIBYSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091172 1225218075 /nfs/dbraw/zinc/21/80/75/1225218075.db2.gz DSZHLTYQEVMMMJ-SQNIBIBYSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@@H](O)C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091172 1225218081 /nfs/dbraw/zinc/21/80/81/1225218081.db2.gz DSZHLTYQEVMMMJ-SQNIBIBYSA-N 2 1 365.474 0.230 20 0 FCADMP COc1cccc([C@@H](O)C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091172 1225218089 /nfs/dbraw/zinc/21/80/89/1225218089.db2.gz DSZHLTYQEVMMMJ-SQNIBIBYSA-N 2 1 365.474 0.230 20 0 FCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883331901 1210661981 /nfs/dbraw/zinc/66/19/81/1210661981.db2.gz JFNAMQNIVGBXBS-RCCFBDPRSA-N 2 1 366.506 0.792 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000883603709 1210673037 /nfs/dbraw/zinc/67/30/37/1210673037.db2.gz BMAZOOWBZIKPIH-WMZOPIPTSA-N 2 1 371.485 0.778 20 0 FCADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000883603657 1210673198 /nfs/dbraw/zinc/67/31/98/1210673198.db2.gz AMGZPMCYEDQIFO-SFHVURJKSA-N 2 1 371.485 0.731 20 0 FCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883605527 1210673715 /nfs/dbraw/zinc/67/37/15/1210673715.db2.gz WOHKAKHDUAHFAD-QAPCUYQASA-N 2 1 371.485 0.717 20 0 FCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883608728 1210674569 /nfs/dbraw/zinc/67/45/69/1210674569.db2.gz GEAQCPJIKIUBIV-VBQJREDUSA-N 2 1 359.474 0.761 20 0 FCADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883611513 1210675023 /nfs/dbraw/zinc/67/50/23/1210675023.db2.gz AJBNIYOPUTYXQC-YOEHRIQHSA-N 2 1 359.474 0.715 20 0 FCADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000883647931 1210679683 /nfs/dbraw/zinc/67/96/83/1210679683.db2.gz ISNCXHVVWQBMHB-AEFFLSMTSA-N 2 1 374.485 0.721 20 0 FCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000883659707 1210682430 /nfs/dbraw/zinc/68/24/30/1210682430.db2.gz PYYURFQWVMNXFA-KRWDZBQOSA-N 2 1 362.518 0.921 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884218339 1210724368 /nfs/dbraw/zinc/72/43/68/1210724368.db2.gz LVTLBSSBJIRTDD-QGZVFWFLSA-N 2 1 372.469 0.971 20 0 FCADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884333970 1210730759 /nfs/dbraw/zinc/73/07/59/1210730759.db2.gz CUQGQHSSKYWXMR-UHFFFAOYSA-N 2 1 369.473 0.624 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000884560347 1210751799 /nfs/dbraw/zinc/75/17/99/1210751799.db2.gz VKWQAVCMMCHQDZ-FXAWDEMLSA-N 2 1 356.470 0.229 20 0 FCADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000884560347 1210751814 /nfs/dbraw/zinc/75/18/14/1210751814.db2.gz VKWQAVCMMCHQDZ-FXAWDEMLSA-N 2 1 356.470 0.229 20 0 FCADMP CC[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000884576581 1210754078 /nfs/dbraw/zinc/75/40/78/1210754078.db2.gz KXRQEFFGBXKKEF-CEXWTWQISA-N 2 1 370.497 0.902 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884604992 1210760545 /nfs/dbraw/zinc/76/05/45/1210760545.db2.gz SRTBIZOBTLPTPT-NRSFXHEJSA-N 2 1 356.470 0.586 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000884608925 1210761892 /nfs/dbraw/zinc/76/18/92/1210761892.db2.gz ZMEQKLPYBSZKTP-OXFYSEKESA-N 2 1 358.486 0.963 20 0 FCADMP C[C@H](NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2)C1=CC[N@@H+](C)CC1 ZINC000884623682 1210764456 /nfs/dbraw/zinc/76/44/56/1210764456.db2.gz LOMJATZLMCUFSU-AWEZNQCLSA-N 2 1 356.470 0.715 20 0 FCADMP Cc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(N2CCCC2)[nH+]1 ZINC000884622240 1210765124 /nfs/dbraw/zinc/76/51/24/1210765124.db2.gz IXJJYEOPRRAAIS-IYBDPMFKSA-N 2 1 357.458 0.569 20 0 FCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000884645957 1210772352 /nfs/dbraw/zinc/77/23/52/1210772352.db2.gz BDJZIARNHQXLGY-OWLYRPNTSA-N 2 1 356.470 0.728 20 0 FCADMP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)CN1CC[NH+](C)CC1 ZINC000884669974 1210776052 /nfs/dbraw/zinc/77/60/52/1210776052.db2.gz LVEQPDDKNUUJJN-INIZCTEOSA-N 2 1 367.538 0.106 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884675477 1210776803 /nfs/dbraw/zinc/77/68/03/1210776803.db2.gz FFKLVBVIWLWNIP-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884675477 1210776808 /nfs/dbraw/zinc/77/68/08/1210776808.db2.gz FFKLVBVIWLWNIP-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000884679166 1210779611 /nfs/dbraw/zinc/77/96/11/1210779611.db2.gz YECHHLMHBILUFG-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000884679166 1210779616 /nfs/dbraw/zinc/77/96/16/1210779616.db2.gz YECHHLMHBILUFG-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000884689927 1210780854 /nfs/dbraw/zinc/78/08/54/1210780854.db2.gz DRDCVIYEKYRRIQ-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000884689927 1210780860 /nfs/dbraw/zinc/78/08/60/1210780860.db2.gz DRDCVIYEKYRRIQ-SFHVURJKSA-N 2 1 374.485 0.180 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884691626 1210782087 /nfs/dbraw/zinc/78/20/87/1210782087.db2.gz MTJPOVXIKKXZIQ-ZIFCJYIRSA-N 2 1 372.513 0.987 20 0 FCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000884704290 1210783901 /nfs/dbraw/zinc/78/39/01/1210783901.db2.gz ZSWHQNFQNRDJSJ-RIFZZMRRSA-N 2 1 358.486 0.820 20 0 FCADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)c1 ZINC000884706587 1210784350 /nfs/dbraw/zinc/78/43/50/1210784350.db2.gz IAURMESMZYZAAR-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)c1 ZINC000884706587 1210784355 /nfs/dbraw/zinc/78/43/55/1210784355.db2.gz IAURMESMZYZAAR-QZTJIDSGSA-N 2 1 374.485 0.166 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884706570 1210784408 /nfs/dbraw/zinc/78/44/08/1210784408.db2.gz HPUSGZKKWYRYPJ-FHLIZLRMSA-N 2 1 358.486 0.724 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884706573 1210784726 /nfs/dbraw/zinc/78/47/26/1210784726.db2.gz HPUSGZKKWYRYPJ-ZTFGCOKTSA-N 2 1 358.486 0.724 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000884707931 1210785228 /nfs/dbraw/zinc/78/52/28/1210785228.db2.gz FVTKUOGZTMSCGW-MRXNPFEDSA-N 2 1 362.474 0.166 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000884707931 1210785233 /nfs/dbraw/zinc/78/52/33/1210785233.db2.gz FVTKUOGZTMSCGW-MRXNPFEDSA-N 2 1 362.474 0.166 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884721463 1210788273 /nfs/dbraw/zinc/78/82/73/1210788273.db2.gz LFCNYCPSOJJXPU-KRWDZBQOSA-N 2 1 362.474 0.038 20 0 FCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884721464 1210788440 /nfs/dbraw/zinc/78/84/40/1210788440.db2.gz LFCNYCPSOJJXPU-QGZVFWFLSA-N 2 1 362.474 0.038 20 0 FCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884741337 1210792271 /nfs/dbraw/zinc/79/22/71/1210792271.db2.gz MZFDUWAOBVVVRO-INIZCTEOSA-N 2 1 368.522 0.355 20 0 FCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)C1 ZINC000884787607 1210796398 /nfs/dbraw/zinc/79/63/98/1210796398.db2.gz WYSYANYWVXALMQ-WMZOPIPTSA-N 2 1 374.485 0.769 20 0 FCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)C1 ZINC000884787607 1210796405 /nfs/dbraw/zinc/79/64/05/1210796405.db2.gz WYSYANYWVXALMQ-WMZOPIPTSA-N 2 1 374.485 0.769 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884824558 1210799493 /nfs/dbraw/zinc/79/94/93/1210799493.db2.gz ACEJUJOMNDMRCN-UOVPBQLFSA-N 2 1 358.486 0.737 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000884824916 1210799602 /nfs/dbraw/zinc/79/96/02/1210799602.db2.gz VVJWOXWEZAEGCL-CGTJXYLNSA-N 2 1 374.485 0.179 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000884824916 1210799613 /nfs/dbraw/zinc/79/96/13/1210799613.db2.gz VVJWOXWEZAEGCL-CGTJXYLNSA-N 2 1 374.485 0.179 20 0 FCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884833849 1210800252 /nfs/dbraw/zinc/80/02/52/1210800252.db2.gz PWHAAEHESGTPMZ-LMSBXDPUSA-N 2 1 358.486 0.819 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000884835497 1210800295 /nfs/dbraw/zinc/80/02/95/1210800295.db2.gz STOZATQGVJSHLZ-DOTOQJQBSA-N 2 1 358.486 0.820 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884835241 1210800458 /nfs/dbraw/zinc/80/04/58/1210800458.db2.gz NMLKMHKNAXDGND-JZXOWHBKSA-N 2 1 358.486 0.691 20 0 FCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000884837834 1210800644 /nfs/dbraw/zinc/80/06/44/1210800644.db2.gz LLMVHAOCVIIHHD-WMZOPIPTSA-N 2 1 356.470 0.501 20 0 FCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000884983467 1210806959 /nfs/dbraw/zinc/80/69/59/1210806959.db2.gz SHVVYRIVTKXBBA-YLJYHZDGSA-N 2 1 358.486 0.883 20 0 FCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000884983435 1210807187 /nfs/dbraw/zinc/80/71/87/1210807187.db2.gz RCXJSTDIBYQXCG-ZWKOTPCHSA-N 2 1 358.486 0.896 20 0 FCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885140736 1210811737 /nfs/dbraw/zinc/81/17/37/1210811737.db2.gz XNPRBQRRDJPEBF-HOTGVXAUSA-N 2 1 366.506 0.109 20 0 FCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000885156132 1210813455 /nfs/dbraw/zinc/81/34/55/1210813455.db2.gz MPMCMDPOJZDOIQ-JLSDUUJJSA-N 2 1 358.486 0.758 20 0 FCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000885154324 1210813682 /nfs/dbraw/zinc/81/36/82/1210813682.db2.gz TVOQFIPQEOIBRH-QGZVFWFLSA-N 2 1 356.470 0.514 20 0 FCADMP CN(C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000885162286 1210814133 /nfs/dbraw/zinc/81/41/33/1210814133.db2.gz KGPKPMJYEBYFAH-AEFFLSMTSA-N 2 1 356.470 0.512 20 0 FCADMP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCOC1 ZINC000886904126 1210839710 /nfs/dbraw/zinc/83/97/10/1210839710.db2.gz PFBQHFSKDPZXLX-KSZLIROESA-N 2 1 371.522 0.491 20 0 FCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001691719522 1210843249 /nfs/dbraw/zinc/84/32/49/1210843249.db2.gz HAFMWGOHTWAFCY-NJAFHUGGSA-N 2 1 355.523 0.941 20 0 FCADMP CCN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887070349 1210845661 /nfs/dbraw/zinc/84/56/61/1210845661.db2.gz KPMWSSBDSTZERO-IPMKNSEASA-N 2 1 370.497 0.930 20 0 FCADMP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274204149 1210912476 /nfs/dbraw/zinc/91/24/76/1210912476.db2.gz SBHUXPOIOSSEFH-CALCHBBNSA-N 2 1 369.506 0.234 20 0 FCADMP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000890142623 1210969402 /nfs/dbraw/zinc/96/94/02/1210969402.db2.gz CWQZDDVWJMPSFL-GOSISDBHSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719196 1210985212 /nfs/dbraw/zinc/98/52/12/1210985212.db2.gz SUDIZUUHEALMSC-AWEZNQCLSA-N 2 1 374.489 0.753 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274909357 1211142604 /nfs/dbraw/zinc/14/26/04/1211142604.db2.gz XNVDRVCTFLNJLX-MHORFTMASA-N 2 1 361.490 0.119 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274909357 1211142607 /nfs/dbraw/zinc/14/26/07/1211142607.db2.gz XNVDRVCTFLNJLX-MHORFTMASA-N 2 1 361.490 0.119 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274909357 1211142610 /nfs/dbraw/zinc/14/26/10/1211142610.db2.gz XNVDRVCTFLNJLX-MHORFTMASA-N 2 1 361.490 0.119 20 0 FCADMP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274909587 1211142625 /nfs/dbraw/zinc/14/26/25/1211142625.db2.gz ZFWFHLPVNVOTNN-LNLFQRSKSA-N 2 1 361.490 0.679 20 0 FCADMP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274909587 1211142629 /nfs/dbraw/zinc/14/26/29/1211142629.db2.gz ZFWFHLPVNVOTNN-LNLFQRSKSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274909587 1211142631 /nfs/dbraw/zinc/14/26/31/1211142631.db2.gz ZFWFHLPVNVOTNN-LNLFQRSKSA-N 2 1 361.490 0.679 20 0 FCADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274909587 1211142634 /nfs/dbraw/zinc/14/26/34/1211142634.db2.gz ZFWFHLPVNVOTNN-LNLFQRSKSA-N 2 1 361.490 0.679 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275172604 1211188998 /nfs/dbraw/zinc/18/89/98/1211188998.db2.gz ZWPFSMMYMWEVDB-PKOBYXMFSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172604 1211188999 /nfs/dbraw/zinc/18/89/99/1211188999.db2.gz ZWPFSMMYMWEVDB-PKOBYXMFSA-N 2 1 360.506 0.470 20 0 FCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275172604 1211189000 /nfs/dbraw/zinc/18/90/00/1211189000.db2.gz ZWPFSMMYMWEVDB-PKOBYXMFSA-N 2 1 360.506 0.470 20 0 FCADMP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)CC2)C1 ZINC001275177637 1211190011 /nfs/dbraw/zinc/19/00/11/1211190011.db2.gz QDRVELANUZNEIB-SFHVURJKSA-N 2 1 365.566 0.498 20 0 FCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001275178262 1211190763 /nfs/dbraw/zinc/19/07/63/1211190763.db2.gz WDWFPONWKXAZTD-KRWDZBQOSA-N 2 1 360.506 0.053 20 0 FCADMP Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[NH+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178539 1211191085 /nfs/dbraw/zinc/19/10/85/1211191085.db2.gz XTBCHHDWYVCJGB-KRWDZBQOSA-N 2 1 360.506 0.009 20 0 FCADMP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[N@H+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178539 1211191086 /nfs/dbraw/zinc/19/10/86/1211191086.db2.gz XTBCHHDWYVCJGB-KRWDZBQOSA-N 2 1 360.506 0.009 20 0 FCADMP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[N@@H+](C)CCN4C)C3)C2)n(C)n1 ZINC001275178539 1211191089 /nfs/dbraw/zinc/19/10/89/1211191089.db2.gz XTBCHHDWYVCJGB-KRWDZBQOSA-N 2 1 360.506 0.009 20 0 FCADMP Cn1cnc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)c1 ZINC001275365797 1211223376 /nfs/dbraw/zinc/22/33/76/1211223376.db2.gz QJYQMVWIPUKRCZ-SFHVURJKSA-N 2 1 356.430 0.658 20 0 FCADMP Cn1cnc(CN2CCC[C@]3(CC(=O)N(CCn4ccnc4)C3=O)C2)c1 ZINC001275365797 1211223379 /nfs/dbraw/zinc/22/33/79/1211223379.db2.gz QJYQMVWIPUKRCZ-SFHVURJKSA-N 2 1 356.430 0.658 20 0 FCADMP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372418 1211225215 /nfs/dbraw/zinc/22/52/15/1211225215.db2.gz CFTKPCBUNLRGGB-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372418 1211225219 /nfs/dbraw/zinc/22/52/19/1211225219.db2.gz CFTKPCBUNLRGGB-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4cnco4)C3)C2=O)CC1 ZINC001275372418 1211225223 /nfs/dbraw/zinc/22/52/23/1211225223.db2.gz CFTKPCBUNLRGGB-LJQANCHMSA-N 2 1 361.490 0.737 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275511675 1211252504 /nfs/dbraw/zinc/25/25/04/1211252504.db2.gz MJONCAQVNCKBLN-QZTJIDSGSA-N 2 1 366.550 0.972 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510897 1211253031 /nfs/dbraw/zinc/25/30/31/1211253031.db2.gz BDSOBQUQPMSWNN-BEFAXECRSA-N 2 1 366.506 0.156 20 0 FCADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001275510897 1211253034 /nfs/dbraw/zinc/25/30/34/1211253034.db2.gz BDSOBQUQPMSWNN-BEFAXECRSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556009 1211256516 /nfs/dbraw/zinc/25/65/16/1211256516.db2.gz GLMSRAUYAITNSY-KXBFYZLASA-N 2 1 364.490 0.433 20 0 FCADMP O=C1C[C@]2(CN1CCN1CCOCC1)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001275738091 1211279367 /nfs/dbraw/zinc/27/93/67/1211279367.db2.gz UOLRNLIZVOVQPQ-FQEVSTJZSA-N 2 1 364.534 0.775 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001275833724 1211293718 /nfs/dbraw/zinc/29/37/18/1211293718.db2.gz OXAAOOKAJXMKHI-HXUWFJFHSA-N 3 1 366.550 0.831 20 0 FCADMP Cn1cnnc1CN1CC[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275833459 1211293773 /nfs/dbraw/zinc/29/37/73/1211293773.db2.gz HYOSOYFAGSOKAM-LJQANCHMSA-N 2 1 360.506 0.971 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275878594 1211303050 /nfs/dbraw/zinc/30/30/50/1211303050.db2.gz LTHTVXUSLCHNDC-GPMSIDNRSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275878594 1211303053 /nfs/dbraw/zinc/30/30/53/1211303053.db2.gz LTHTVXUSLCHNDC-GPMSIDNRSA-N 2 1 367.490 0.441 20 0 FCADMP COC[C@H](C(=O)OC)N1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275878594 1211303057 /nfs/dbraw/zinc/30/30/57/1211303057.db2.gz LTHTVXUSLCHNDC-GPMSIDNRSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275877714 1211303884 /nfs/dbraw/zinc/30/38/84/1211303884.db2.gz FPEGFBBMFKTDJA-FRQCXROJSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275877714 1211303886 /nfs/dbraw/zinc/30/38/86/1211303886.db2.gz FPEGFBBMFKTDJA-FRQCXROJSA-N 2 1 367.490 0.441 20 0 FCADMP COC(=O)[C@@H](C)CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275877714 1211303889 /nfs/dbraw/zinc/30/38/89/1211303889.db2.gz FPEGFBBMFKTDJA-FRQCXROJSA-N 2 1 367.490 0.441 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275879408 1211304317 /nfs/dbraw/zinc/30/43/17/1211304317.db2.gz PCVUUWWNGAZKSX-FCEWJHQRSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275879408 1211304320 /nfs/dbraw/zinc/30/43/20/1211304320.db2.gz PCVUUWWNGAZKSX-FCEWJHQRSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275879408 1211304324 /nfs/dbraw/zinc/30/43/24/1211304324.db2.gz PCVUUWWNGAZKSX-FCEWJHQRSA-N 2 1 366.506 0.143 20 0 FCADMP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275879408 1211304327 /nfs/dbraw/zinc/30/43/27/1211304327.db2.gz PCVUUWWNGAZKSX-FCEWJHQRSA-N 2 1 366.506 0.143 20 0 FCADMP CCOC(=O)[C@H](C)N1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001275880219 1211304777 /nfs/dbraw/zinc/30/47/77/1211304777.db2.gz SONTYFGAXLRYEX-HNNXBMFYSA-N 2 1 367.490 0.583 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN(COCCOC)C(=O)CO3)CC1 ZINC001275881269 1211305535 /nfs/dbraw/zinc/30/55/35/1211305535.db2.gz YQORPRYLIZNRDN-LJQANCHMSA-N 2 1 369.506 0.642 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001275879223 1211306126 /nfs/dbraw/zinc/30/61/26/1211306126.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879223 1211306127 /nfs/dbraw/zinc/30/61/27/1211306127.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cncc1CN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879223 1211306128 /nfs/dbraw/zinc/30/61/28/1211306128.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 2 1 361.490 0.565 20 0 FCADMP Cn1cc(N2CCC[C@@H]([NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000369623454 1211329727 /nfs/dbraw/zinc/32/97/27/1211329727.db2.gz VBNBNJLBMFFWCB-GOSISDBHSA-N 2 1 361.490 0.960 20 0 FCADMP Cn1cc(N2CCC[C@H]([NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000369623455 1211329897 /nfs/dbraw/zinc/32/98/97/1211329897.db2.gz VBNBNJLBMFFWCB-SFHVURJKSA-N 2 1 361.490 0.960 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1 ZINC001095430219 1211334449 /nfs/dbraw/zinc/33/44/49/1211334449.db2.gz LATABYDZNAZUAW-GFEQUFNTSA-N 2 1 365.518 0.837 20 0 FCADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCOC2)n1 ZINC001095433139 1211335421 /nfs/dbraw/zinc/33/54/21/1211335421.db2.gz ZICXCOHLKXBCQN-LMSBXDPUSA-N 2 1 361.490 0.816 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001095437920 1211341429 /nfs/dbraw/zinc/34/14/29/1211341429.db2.gz OLDIHTKKGIRTSK-SUJAAXHWSA-N 2 1 362.474 0.197 20 0 FCADMP CNc1nccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276057587 1211343550 /nfs/dbraw/zinc/34/35/50/1211343550.db2.gz XLBOVEUYNQNCKD-GOSISDBHSA-N 2 1 360.462 0.421 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc4nccn4c3)C2)OCC1=O ZINC001276233542 1211385866 /nfs/dbraw/zinc/38/58/66/1211385866.db2.gz LKBAYCGGJXRFCS-IBGZPJMESA-N 2 1 357.458 0.699 20 0 FCADMP C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924567491 1211474322 /nfs/dbraw/zinc/47/43/22/1211474322.db2.gz OGXNDKROLQXIHK-INIZCTEOSA-N 2 1 360.462 0.076 20 0 FCADMP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O ZINC000924777555 1211480445 /nfs/dbraw/zinc/48/04/45/1211480445.db2.gz QLUCUVCFYZMIBK-DLBZAZTESA-N 2 1 360.458 0.760 20 0 FCADMP C[N@H+]1CC[C@H]1CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000925398680 1211498708 /nfs/dbraw/zinc/49/87/08/1211498708.db2.gz HDJCFXQIFQFWBW-KRWDZBQOSA-N 2 1 365.522 0.714 20 0 FCADMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000926127127 1211516850 /nfs/dbraw/zinc/51/68/50/1211516850.db2.gz TUNTXPDJVKUFMF-QZTJIDSGSA-N 2 1 359.470 0.638 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000927481897 1211572105 /nfs/dbraw/zinc/57/21/05/1211572105.db2.gz ORLJHHOMCKXCHS-MRXNPFEDSA-N 2 1 374.489 0.750 20 0 FCADMP Cc1cccc(NCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000927481897 1211572114 /nfs/dbraw/zinc/57/21/14/1211572114.db2.gz ORLJHHOMCKXCHS-MRXNPFEDSA-N 2 1 374.489 0.750 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]c1 ZINC000927466761 1211572220 /nfs/dbraw/zinc/57/22/20/1211572220.db2.gz GFRSPBUYOAIFKE-MRXNPFEDSA-N 2 1 374.489 0.750 20 0 FCADMP Cc1ccc(NCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]c1 ZINC000927466761 1211572224 /nfs/dbraw/zinc/57/22/24/1211572224.db2.gz GFRSPBUYOAIFKE-MRXNPFEDSA-N 2 1 374.489 0.750 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956684 1211614876 /nfs/dbraw/zinc/61/48/76/1211614876.db2.gz UUQZBSVKDZOZDO-VQHPVUNQSA-N 2 1 369.506 0.074 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959272 1211615441 /nfs/dbraw/zinc/61/54/41/1211615441.db2.gz HSANRQGZNLHIAE-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959272 1211615450 /nfs/dbraw/zinc/61/54/50/1211615450.db2.gz HSANRQGZNLHIAE-YJNKXOJESA-N 2 1 367.494 0.284 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522690 1211712202 /nfs/dbraw/zinc/71/22/02/1211712202.db2.gz HQEJNNLRIXIDHF-SZMVWBNQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522690 1211712203 /nfs/dbraw/zinc/71/22/03/1211712203.db2.gz HQEJNNLRIXIDHF-SZMVWBNQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000930522690 1211712206 /nfs/dbraw/zinc/71/22/06/1211712206.db2.gz HQEJNNLRIXIDHF-SZMVWBNQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000930522690 1211712208 /nfs/dbraw/zinc/71/22/08/1211712208.db2.gz HQEJNNLRIXIDHF-SZMVWBNQSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522687 1211712487 /nfs/dbraw/zinc/71/24/87/1211712487.db2.gz HQEJNNLRIXIDHF-JQHSSLGASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000930522687 1211712489 /nfs/dbraw/zinc/71/24/89/1211712489.db2.gz HQEJNNLRIXIDHF-JQHSSLGASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000930522687 1211712491 /nfs/dbraw/zinc/71/24/91/1211712491.db2.gz HQEJNNLRIXIDHF-JQHSSLGASA-N 2 1 358.486 0.834 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000930522687 1211712493 /nfs/dbraw/zinc/71/24/93/1211712493.db2.gz HQEJNNLRIXIDHF-JQHSSLGASA-N 2 1 358.486 0.834 20 0 FCADMP CCc1noc(COCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000930526045 1211712555 /nfs/dbraw/zinc/71/25/55/1211712555.db2.gz LAGLBAGBNXXCKB-UHFFFAOYSA-N 2 1 360.418 0.934 20 0 FCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C[C@@H]2C1 ZINC000931430341 1211754964 /nfs/dbraw/zinc/75/49/64/1211754964.db2.gz OCIURULCANXSHH-MSOLQXFVSA-N 2 1 358.486 0.774 20 0 FCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C[C@@H]2C1 ZINC000931430341 1211754972 /nfs/dbraw/zinc/75/49/72/1211754972.db2.gz OCIURULCANXSHH-MSOLQXFVSA-N 2 1 358.486 0.774 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C[C@@H]2C1 ZINC000931430341 1211754977 /nfs/dbraw/zinc/75/49/77/1211754977.db2.gz OCIURULCANXSHH-MSOLQXFVSA-N 2 1 358.486 0.774 20 0 FCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(CCC(N)=O)Cc3ccccc3)C[C@@H]2C1 ZINC000931430341 1211754980 /nfs/dbraw/zinc/75/49/80/1211754980.db2.gz OCIURULCANXSHH-MSOLQXFVSA-N 2 1 358.486 0.774 20 0 FCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000931485681 1211757677 /nfs/dbraw/zinc/75/76/77/1211757677.db2.gz BGMHVAJTRJSLED-UHFFFAOYSA-N 2 1 368.522 0.284 20 0 FCADMP Cc1ccc(NCCNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[nH+]c1 ZINC000931612461 1211763671 /nfs/dbraw/zinc/76/36/71/1211763671.db2.gz HFWLYTZRKLLDFP-UHFFFAOYSA-N 2 1 356.430 0.696 20 0 FCADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028737 1211804769 /nfs/dbraw/zinc/80/47/69/1211804769.db2.gz OHSNCDDWCDCTIQ-APIJFGDWSA-N 2 1 364.490 0.491 20 0 FCADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028737 1211804770 /nfs/dbraw/zinc/80/47/70/1211804770.db2.gz OHSNCDDWCDCTIQ-APIJFGDWSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028737 1211804771 /nfs/dbraw/zinc/80/47/71/1211804771.db2.gz OHSNCDDWCDCTIQ-APIJFGDWSA-N 2 1 364.490 0.491 20 0 FCADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001111028737 1211804773 /nfs/dbraw/zinc/80/47/73/1211804773.db2.gz OHSNCDDWCDCTIQ-APIJFGDWSA-N 2 1 364.490 0.491 20 0 FCADMP CCc1nc(N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001111142185 1211898060 /nfs/dbraw/zinc/89/80/60/1211898060.db2.gz VEOVZXFXYUWSLK-SPYBWZPUSA-N 2 1 361.490 0.745 20 0 FCADMP CCc1nc(N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001111142185 1211898061 /nfs/dbraw/zinc/89/80/61/1211898061.db2.gz VEOVZXFXYUWSLK-SPYBWZPUSA-N 2 1 361.490 0.745 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001111230126 1211935993 /nfs/dbraw/zinc/93/59/93/1211935993.db2.gz GVNQWVLBDIRXTL-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001111230126 1211935999 /nfs/dbraw/zinc/93/59/99/1211935999.db2.gz GVNQWVLBDIRXTL-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001111230126 1211936001 /nfs/dbraw/zinc/93/60/01/1211936001.db2.gz GVNQWVLBDIRXTL-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001111230126 1211936005 /nfs/dbraw/zinc/93/60/05/1211936005.db2.gz GVNQWVLBDIRXTL-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001095769174 1211981145 /nfs/dbraw/zinc/98/11/45/1211981145.db2.gz ZJJSIDVJCYDFFG-NCOADZHNSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001095769174 1211981153 /nfs/dbraw/zinc/98/11/53/1211981153.db2.gz ZJJSIDVJCYDFFG-NCOADZHNSA-N 2 1 359.474 0.829 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001095769227 1211982809 /nfs/dbraw/zinc/98/28/09/1211982809.db2.gz CLVOUMFAORWKCQ-WCVJEAGWSA-N 2 1 355.446 0.692 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001095769227 1211982813 /nfs/dbraw/zinc/98/28/13/1211982813.db2.gz CLVOUMFAORWKCQ-WCVJEAGWSA-N 2 1 355.446 0.692 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc4c(c3)nnn4C)C2)CC[N@H+]1C ZINC000968724275 1212099637 /nfs/dbraw/zinc/09/96/37/1212099637.db2.gz DQMIODRSLALZIM-FVQBIDKESA-N 2 1 356.474 0.999 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC000948542101 1212197318 /nfs/dbraw/zinc/19/73/18/1212197318.db2.gz MQYYENLCBHTYGT-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC000948542101 1212197326 /nfs/dbraw/zinc/19/73/26/1212197326.db2.gz MQYYENLCBHTYGT-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)O1 ZINC000948542101 1212197329 /nfs/dbraw/zinc/19/73/29/1212197329.db2.gz MQYYENLCBHTYGT-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)O1 ZINC000948542101 1212197332 /nfs/dbraw/zinc/19/73/32/1212197332.db2.gz MQYYENLCBHTYGT-IXDOHACOSA-N 2 1 366.506 0.251 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281484 1212233012 /nfs/dbraw/zinc/23/30/12/1212233012.db2.gz UVLDGFFLIRSKIL-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281484 1212233016 /nfs/dbraw/zinc/23/30/16/1212233016.db2.gz UVLDGFFLIRSKIL-HZMVEIRTSA-N 2 1 368.522 0.591 20 0 FCADMP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098989 1212290860 /nfs/dbraw/zinc/29/08/60/1212290860.db2.gz QCLIKBLLTALAEB-BZUAXINKSA-N 2 1 366.506 0.284 20 0 FCADMP CC[C@H](C(=O)N1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000949113837 1212296549 /nfs/dbraw/zinc/29/65/49/1212296549.db2.gz YIIUSTMIGHGSQW-DJIMGWMZSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@H](C(=O)N1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000949113837 1212296554 /nfs/dbraw/zinc/29/65/54/1212296554.db2.gz YIIUSTMIGHGSQW-DJIMGWMZSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H](C(=O)N1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000949184141 1212315516 /nfs/dbraw/zinc/31/55/16/1212315516.db2.gz YIIUSTMIGHGSQW-HYVNUMGLSA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H](C(=O)N1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)[NH+](C)C ZINC000949184141 1212315519 /nfs/dbraw/zinc/31/55/19/1212315519.db2.gz YIIUSTMIGHGSQW-HYVNUMGLSA-N 2 1 368.522 0.401 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000949184656 1212316380 /nfs/dbraw/zinc/31/63/80/1212316380.db2.gz PNBJFAJTNXMDSL-IJEWVQPXSA-N 2 1 359.474 0.676 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000949535957 1212403311 /nfs/dbraw/zinc/40/33/11/1212403311.db2.gz UBGIVXRDWNZUJA-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000949535957 1212403315 /nfs/dbraw/zinc/40/33/15/1212403315.db2.gz UBGIVXRDWNZUJA-XLNGHYISSA-N 2 1 361.490 0.885 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949838921 1212470011 /nfs/dbraw/zinc/47/00/11/1212470011.db2.gz VUSBNCUWFCFSRN-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001111298614 1212493773 /nfs/dbraw/zinc/49/37/73/1212493773.db2.gz HOQMAZWUBRZCAL-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001111298614 1212493774 /nfs/dbraw/zinc/49/37/74/1212493774.db2.gz HOQMAZWUBRZCAL-ZACQAIPSSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1C ZINC000950243926 1212540212 /nfs/dbraw/zinc/54/02/12/1212540212.db2.gz PSKYCHUGNLIURJ-IXDOHACOSA-N 2 1 362.518 0.920 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001007827087 1212586676 /nfs/dbraw/zinc/58/66/76/1212586676.db2.gz KBQGWNPLZLJIAV-LPHOPBHVSA-N 2 1 359.474 0.785 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007858474 1212593787 /nfs/dbraw/zinc/59/37/87/1212593787.db2.gz ULOVZWCDFDSJRD-JXFKEZNVSA-N 2 1 371.485 0.785 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)CC2CC[NH+](C)CC2)O1 ZINC000950788912 1212671616 /nfs/dbraw/zinc/67/16/16/1212671616.db2.gz NYIOREKBFRJZRY-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)CC2CC[NH+](C)CC2)O1 ZINC000950788912 1212671618 /nfs/dbraw/zinc/67/16/18/1212671618.db2.gz NYIOREKBFRJZRY-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000951082325 1212758695 /nfs/dbraw/zinc/75/86/95/1212758695.db2.gz UWIRXEQKWTYXPA-KBRIMQKVSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)O1 ZINC000951082325 1212758702 /nfs/dbraw/zinc/75/87/02/1212758702.db2.gz UWIRXEQKWTYXPA-KBRIMQKVSA-N 2 1 371.441 0.384 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951249655 1212803473 /nfs/dbraw/zinc/80/34/73/1212803473.db2.gz CZTNQQHKPVULQV-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000951249655 1212803476 /nfs/dbraw/zinc/80/34/76/1212803476.db2.gz CZTNQQHKPVULQV-HYVNUMGLSA-N 2 1 366.506 0.155 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000952407719 1212947636 /nfs/dbraw/zinc/94/76/36/1212947636.db2.gz LWWCPHGPCMQDRV-XOKHGSTOSA-N 2 1 359.474 0.496 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001007191446 1213040054 /nfs/dbraw/zinc/04/00/54/1213040054.db2.gz ZANUKHHQHANPME-QKLQHJQFSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@H+]1C ZINC000954356727 1213058634 /nfs/dbraw/zinc/05/86/34/1213058634.db2.gz JGAXHOFURKZQLH-RCCFBDPRSA-N 2 1 362.518 0.728 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659864 1225423020 /nfs/dbraw/zinc/42/30/20/1225423020.db2.gz ZZTNYERUIWQNFL-KBAYOESNSA-N 2 1 362.474 0.448 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000954823929 1213112823 /nfs/dbraw/zinc/11/28/23/1213112823.db2.gz ANYXNBKRDUAOHO-GDBMZVCRSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000954823929 1213112826 /nfs/dbraw/zinc/11/28/26/1213112826.db2.gz ANYXNBKRDUAOHO-GDBMZVCRSA-N 2 1 364.490 0.003 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CCc3nccn3C)C2)CC[N@H+]1C ZINC000957012587 1213230430 /nfs/dbraw/zinc/23/04/30/1213230430.db2.gz KTBWGDKAASBNCZ-SPYBWZPUSA-N 2 1 361.490 0.800 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000957083179 1213247390 /nfs/dbraw/zinc/24/73/90/1213247390.db2.gz MCICKYGDMDNLDM-MDZRGWNJSA-N 2 1 360.502 0.531 20 0 FCADMP COCOCCC[N@H+]1CCC[C@]2(CC(=O)N(CCn3ccnc3)C2=O)C1 ZINC001276310633 1213384922 /nfs/dbraw/zinc/38/49/22/1213384922.db2.gz AAIWUUNVLBKCAX-SFHVURJKSA-N 2 1 364.446 0.735 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408044 1213744540 /nfs/dbraw/zinc/74/45/40/1213744540.db2.gz DUTTXOJRBGLABU-YESZJQIVSA-N 2 1 364.490 0.005 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960572306 1213825017 /nfs/dbraw/zinc/82/50/17/1213825017.db2.gz IFJSPVHMZAQLIZ-LTIDMASMSA-N 2 1 366.506 0.249 20 0 FCADMP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001221791253 1225482796 /nfs/dbraw/zinc/48/27/96/1225482796.db2.gz DBUHVRAWQIORDI-ZHALLVOQSA-N 2 1 361.486 0.911 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC[N@H+]1C ZINC001011209153 1213849748 /nfs/dbraw/zinc/84/97/48/1213849748.db2.gz KGHQZDZVRIJFNW-IAGOWNOFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)CC[N@@H+]1C ZINC001011211342 1213851692 /nfs/dbraw/zinc/85/16/92/1213851692.db2.gz PKVHBEMUDJALAO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)CC[N@H+]1C ZINC001011211342 1213851696 /nfs/dbraw/zinc/85/16/96/1213851696.db2.gz PKVHBEMUDJALAO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC[NH+]1C ZINC001011211342 1213851700 /nfs/dbraw/zinc/85/17/00/1213851700.db2.gz PKVHBEMUDJALAO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC[NH+]1C ZINC001011211342 1213851701 /nfs/dbraw/zinc/85/17/01/1213851701.db2.gz PKVHBEMUDJALAO-GVDBMIGSSA-N 2 1 366.506 0.108 20 0 FCADMP Cc1ncc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC000960718096 1213906329 /nfs/dbraw/zinc/90/63/29/1213906329.db2.gz NWAMQVOBUSCIIM-ZTFGCOKTSA-N 2 1 361.490 0.927 20 0 FCADMP Cc1ncc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)cn1 ZINC000960718096 1213906335 /nfs/dbraw/zinc/90/63/35/1213906335.db2.gz NWAMQVOBUSCIIM-ZTFGCOKTSA-N 2 1 361.490 0.927 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)[C@@H]4CC[NH+](C)C4)C3)C2)CC[N@H+]1C ZINC001014002785 1213917313 /nfs/dbraw/zinc/91/73/13/1213917313.db2.gz HWWUDEDFXJFXMX-MZGCBASJSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)CC[NH+]1C ZINC001014002785 1213917321 /nfs/dbraw/zinc/91/73/21/1213917321.db2.gz HWWUDEDFXJFXMX-MZGCBASJSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)CC[NH+]1C ZINC001014002785 1213917329 /nfs/dbraw/zinc/91/73/29/1213917329.db2.gz HWWUDEDFXJFXMX-MZGCBASJSA-N 2 1 362.518 0.822 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001016685879 1214035537 /nfs/dbraw/zinc/03/55/37/1214035537.db2.gz JTCFWSZATIKJAW-LHUBUQBQSA-N 2 1 366.506 0.153 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001016685879 1214035542 /nfs/dbraw/zinc/03/55/42/1214035542.db2.gz JTCFWSZATIKJAW-LHUBUQBQSA-N 2 1 366.506 0.153 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001017464208 1214098105 /nfs/dbraw/zinc/09/81/05/1214098105.db2.gz GELSHGDQIKUJHB-FGTMMUONSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001017464208 1214098111 /nfs/dbraw/zinc/09/81/11/1214098111.db2.gz GELSHGDQIKUJHB-FGTMMUONSA-N 2 1 362.518 0.943 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001017464208 1214098119 /nfs/dbraw/zinc/09/81/19/1214098119.db2.gz GELSHGDQIKUJHB-FGTMMUONSA-N 2 1 362.518 0.943 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001017563474 1214117333 /nfs/dbraw/zinc/11/73/33/1214117333.db2.gz BNXYNCHNYIXMFZ-NKGKWGDASA-N 2 1 360.506 0.910 20 0 FCADMP Cc1nc(C)n(CC[NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001017563474 1214117341 /nfs/dbraw/zinc/11/73/41/1214117341.db2.gz BNXYNCHNYIXMFZ-NKGKWGDASA-N 2 1 360.506 0.910 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001017563474 1214117348 /nfs/dbraw/zinc/11/73/48/1214117348.db2.gz BNXYNCHNYIXMFZ-NKGKWGDASA-N 2 1 360.506 0.910 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001017563474 1214117356 /nfs/dbraw/zinc/11/73/56/1214117356.db2.gz BNXYNCHNYIXMFZ-NKGKWGDASA-N 2 1 360.506 0.910 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@@H+]1C ZINC001018867185 1214166417 /nfs/dbraw/zinc/16/64/17/1214166417.db2.gz JEZARSSCDKAEBQ-HLLBOEOZSA-N 2 1 369.473 0.693 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)CC[N@H+]1C ZINC001018867185 1214166424 /nfs/dbraw/zinc/16/64/24/1214166424.db2.gz JEZARSSCDKAEBQ-HLLBOEOZSA-N 2 1 369.473 0.693 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2([NH+](C)C)CCC2)C3)CC[N@H+]1C ZINC001019070459 1214190261 /nfs/dbraw/zinc/19/02/61/1214190261.db2.gz OPAVSFUJOKWHFH-HZPDHXFCSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)CC[N@H+]1C ZINC000961598298 1214238297 /nfs/dbraw/zinc/23/82/97/1214238297.db2.gz FZXYLUUEOUISJE-DFBDCSAJSA-N 2 1 362.518 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961598298 1214238304 /nfs/dbraw/zinc/23/83/04/1214238304.db2.gz FZXYLUUEOUISJE-DFBDCSAJSA-N 2 1 362.518 0.585 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)CC[NH+]1C ZINC000961598298 1214238307 /nfs/dbraw/zinc/23/83/07/1214238307.db2.gz FZXYLUUEOUISJE-DFBDCSAJSA-N 2 1 362.518 0.585 20 0 FCADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416254 1214240008 /nfs/dbraw/zinc/24/00/08/1214240008.db2.gz GNOXUBQYBISRLB-KSZLIROESA-N 2 1 368.485 0.851 20 0 FCADMP Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416254 1214240016 /nfs/dbraw/zinc/24/00/16/1214240016.db2.gz GNOXUBQYBISRLB-KSZLIROESA-N 2 1 368.485 0.851 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961665603 1214261582 /nfs/dbraw/zinc/26/15/82/1214261582.db2.gz ZITXHJBMZXHXMP-WCXIOVBPSA-N 2 1 359.474 0.449 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000961665603 1214261587 /nfs/dbraw/zinc/26/15/87/1214261587.db2.gz ZITXHJBMZXHXMP-WCXIOVBPSA-N 2 1 359.474 0.449 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871009 1225515502 /nfs/dbraw/zinc/51/55/02/1225515502.db2.gz RPGJZUINHQVJOY-GUDVDZBRSA-N 2 1 361.486 0.902 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961831007 1214321261 /nfs/dbraw/zinc/32/12/61/1214321261.db2.gz LLZGUPBPDZDCTN-GJGATLCTSA-N 2 1 356.470 0.124 20 0 FCADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961831007 1214321270 /nfs/dbraw/zinc/32/12/70/1214321270.db2.gz LLZGUPBPDZDCTN-GJGATLCTSA-N 2 1 356.470 0.124 20 0 FCADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000961831007 1214321280 /nfs/dbraw/zinc/32/12/80/1214321280.db2.gz LLZGUPBPDZDCTN-GJGATLCTSA-N 2 1 356.470 0.124 20 0 FCADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000961831007 1214321281 /nfs/dbraw/zinc/32/12/81/1214321281.db2.gz LLZGUPBPDZDCTN-GJGATLCTSA-N 2 1 356.470 0.124 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC000961856746 1214336897 /nfs/dbraw/zinc/33/68/97/1214336897.db2.gz MOXFGNNDKFCTLR-SSHXOBKSSA-N 2 1 366.485 0.962 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001039593772 1214399335 /nfs/dbraw/zinc/39/93/35/1214399335.db2.gz WPVAHRHAAWGNJW-HCXYKTFWSA-N 2 1 365.518 0.791 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001039593772 1214399339 /nfs/dbraw/zinc/39/93/39/1214399339.db2.gz WPVAHRHAAWGNJW-HCXYKTFWSA-N 2 1 365.518 0.791 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858794 1214448380 /nfs/dbraw/zinc/44/83/80/1214448380.db2.gz UIOXOICRDSMKNK-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039858794 1214448386 /nfs/dbraw/zinc/44/83/86/1214448386.db2.gz UIOXOICRDSMKNK-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858794 1214448393 /nfs/dbraw/zinc/44/83/93/1214448393.db2.gz UIOXOICRDSMKNK-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001276366267 1214478079 /nfs/dbraw/zinc/47/80/79/1214478079.db2.gz NIUSLGOBIFMYIS-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001276366267 1214478085 /nfs/dbraw/zinc/47/80/85/1214478085.db2.gz NIUSLGOBIFMYIS-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001276366267 1214478089 /nfs/dbraw/zinc/47/80/89/1214478089.db2.gz NIUSLGOBIFMYIS-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001276366267 1214478094 /nfs/dbraw/zinc/47/80/94/1214478094.db2.gz NIUSLGOBIFMYIS-CEXWTWQISA-N 2 1 359.470 0.819 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040446573 1214509678 /nfs/dbraw/zinc/50/96/78/1214509678.db2.gz KXRUJBAUTVOKHZ-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040446573 1214509682 /nfs/dbraw/zinc/50/96/82/1214509682.db2.gz KXRUJBAUTVOKHZ-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CCC[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040446573 1214509690 /nfs/dbraw/zinc/50/96/90/1214509690.db2.gz KXRUJBAUTVOKHZ-GPMSIDNRSA-N 2 1 368.522 0.138 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921975 1225536052 /nfs/dbraw/zinc/53/60/52/1225536052.db2.gz SZUFVDIVMKHJCZ-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921975 1225536056 /nfs/dbraw/zinc/53/60/56/1225536056.db2.gz SZUFVDIVMKHJCZ-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921975 1225536062 /nfs/dbraw/zinc/53/60/62/1225536062.db2.gz SZUFVDIVMKHJCZ-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]21 ZINC001221921975 1225536064 /nfs/dbraw/zinc/53/60/64/1225536064.db2.gz SZUFVDIVMKHJCZ-GVDBMIGSSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+]([C@@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC001040705135 1214569571 /nfs/dbraw/zinc/56/95/71/1214569571.db2.gz DFMKVWVWUHCIAM-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP O=C(N1C[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221950178 1225548717 /nfs/dbraw/zinc/54/87/17/1225548717.db2.gz WOVMCIRXRQGRNV-KZNAEPCWSA-N 2 1 363.502 0.811 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950602 1225549102 /nfs/dbraw/zinc/54/91/02/1225549102.db2.gz PCJJWDWINHQDHJ-GVDBMIGSSA-N 2 1 368.522 0.353 20 0 FCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950602 1225549106 /nfs/dbraw/zinc/54/91/06/1225549106.db2.gz PCJJWDWINHQDHJ-GVDBMIGSSA-N 2 1 368.522 0.353 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949875 1225549401 /nfs/dbraw/zinc/54/94/01/1225549401.db2.gz LGXFHHUBJIAWCM-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949875 1225549405 /nfs/dbraw/zinc/54/94/05/1225549405.db2.gz LGXFHHUBJIAWCM-GVDBMIGSSA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950784 1225549757 /nfs/dbraw/zinc/54/97/57/1225549757.db2.gz YIMPVBSEBLPRGE-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950784 1225549761 /nfs/dbraw/zinc/54/97/61/1225549761.db2.gz YIMPVBSEBLPRGE-BRWVUGGUSA-N 2 1 368.522 0.258 20 0 FCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000963067527 1214723937 /nfs/dbraw/zinc/72/39/37/1214723937.db2.gz HJDVTJQUWNMUDK-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000963067527 1214723944 /nfs/dbraw/zinc/72/39/44/1214723944.db2.gz HJDVTJQUWNMUDK-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000963067527 1214723953 /nfs/dbraw/zinc/72/39/53/1214723953.db2.gz HJDVTJQUWNMUDK-ZACQAIPSSA-N 2 1 366.506 0.031 20 0 FCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945801 1225547123 /nfs/dbraw/zinc/54/71/23/1225547123.db2.gz ZRRKJFGCNJBOAN-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945801 1225547128 /nfs/dbraw/zinc/54/71/28/1225547128.db2.gz ZRRKJFGCNJBOAN-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945801 1225547136 /nfs/dbraw/zinc/54/71/36/1225547136.db2.gz ZRRKJFGCNJBOAN-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945801 1225547142 /nfs/dbraw/zinc/54/71/42/1225547142.db2.gz ZRRKJFGCNJBOAN-RCCFBDPRSA-N 2 1 362.518 0.729 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nnn(C)n2)C3)CC[N@@H+]1C ZINC000963823426 1214858790 /nfs/dbraw/zinc/85/87/90/1214858790.db2.gz JWOIEUOKFGZBHK-YPFGQOJWSA-N 2 1 361.494 0.457 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nnn(C)n2)C3)CC[N@H+]1C ZINC000963823426 1214858793 /nfs/dbraw/zinc/85/87/93/1214858793.db2.gz JWOIEUOKFGZBHK-YPFGQOJWSA-N 2 1 361.494 0.457 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCC(=O)NC2=O)C3)CC[N@H+]1C ZINC000963830149 1214860520 /nfs/dbraw/zinc/86/05/20/1214860520.db2.gz KVJDDKYGNXALLW-ZYPLZAJRSA-N 2 1 362.474 0.149 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)C[NH+]2CCCC2)CC3)CC[N@H+]1C ZINC000963923426 1214875465 /nfs/dbraw/zinc/87/54/65/1214875465.db2.gz CVSJNMDDYKHXOA-ZACQAIPSSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000965044643 1215018438 /nfs/dbraw/zinc/01/84/38/1215018438.db2.gz MJNWSPRRYGBPAT-BRWVUGGUSA-N 2 1 362.518 0.920 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000968010498 1215272507 /nfs/dbraw/zinc/27/25/07/1215272507.db2.gz IVZRARNACSMTCC-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000968010498 1215272509 /nfs/dbraw/zinc/27/25/09/1215272509.db2.gz IVZRARNACSMTCC-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000968010498 1215272511 /nfs/dbraw/zinc/27/25/11/1215272511.db2.gz IVZRARNACSMTCC-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000968010498 1215272514 /nfs/dbraw/zinc/27/25/14/1215272514.db2.gz IVZRARNACSMTCC-DJIMGWMZSA-N 2 1 366.506 0.107 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000968011023 1215272629 /nfs/dbraw/zinc/27/26/29/1215272629.db2.gz VPKMUKKAJNPGPQ-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000968011023 1215272633 /nfs/dbraw/zinc/27/26/33/1215272633.db2.gz VPKMUKKAJNPGPQ-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000968011023 1215272635 /nfs/dbraw/zinc/27/26/35/1215272635.db2.gz VPKMUKKAJNPGPQ-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000968011023 1215272636 /nfs/dbraw/zinc/27/26/36/1215272636.db2.gz VPKMUKKAJNPGPQ-MUIFIZLQSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968095474 1215285942 /nfs/dbraw/zinc/28/59/42/1215285942.db2.gz GNLMELUGNXUHIT-KBRIMQKVSA-N 2 1 366.506 0.105 20 0 FCADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968095474 1215285943 /nfs/dbraw/zinc/28/59/43/1215285943.db2.gz GNLMELUGNXUHIT-KBRIMQKVSA-N 2 1 366.506 0.105 20 0 FCADMP CC(=O)NCCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442833 1225624384 /nfs/dbraw/zinc/62/43/84/1225624384.db2.gz NXCAISFOWMRSFB-SQNIBIBYSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442833 1225624389 /nfs/dbraw/zinc/62/43/89/1225624389.db2.gz NXCAISFOWMRSFB-SQNIBIBYSA-N 2 1 366.506 0.156 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442833 1225624393 /nfs/dbraw/zinc/62/43/93/1225624393.db2.gz NXCAISFOWMRSFB-SQNIBIBYSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H]3CC34CC4)CC2)CC[N@H+]1C ZINC001055653932 1215901085 /nfs/dbraw/zinc/90/10/85/1215901085.db2.gz AYYDACCEBFNLRN-DJIMGWMZSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)CC[N@H+]1C ZINC001000203576 1216022087 /nfs/dbraw/zinc/02/20/87/1216022087.db2.gz HTCICFHTVCZUID-RDTXWAMCSA-N 2 1 362.518 0.776 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693789 1225646028 /nfs/dbraw/zinc/64/60/28/1225646028.db2.gz ADQMYSKFBIMQIN-KURKYZTESA-N 2 1 362.518 0.776 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2=CC[N@@H+](CCCO)CC2)CC1 ZINC001000694314 1216106810 /nfs/dbraw/zinc/10/68/10/1216106810.db2.gz YGFXUZZKDDTZBT-MOPGFXCFSA-N 2 1 365.518 0.864 20 0 FCADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001001531671 1216236981 /nfs/dbraw/zinc/23/69/81/1216236981.db2.gz GLWZOHUTYWCHQM-CRAIPNDOSA-N 2 1 361.490 0.832 20 0 FCADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001001531671 1216236994 /nfs/dbraw/zinc/23/69/94/1216236994.db2.gz GLWZOHUTYWCHQM-CRAIPNDOSA-N 2 1 361.490 0.832 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001001531247 1216238262 /nfs/dbraw/zinc/23/82/62/1216238262.db2.gz CPGHUIPIQFHRMF-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001001531247 1216238276 /nfs/dbraw/zinc/23/82/76/1216238276.db2.gz CPGHUIPIQFHRMF-NVXWUHKLSA-N 2 1 366.506 0.156 20 0 FCADMP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891588 1225663317 /nfs/dbraw/zinc/66/33/17/1225663317.db2.gz FLOSUHVOVNZGEK-PMPSAXMXSA-N 2 1 359.474 0.819 20 0 FCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976978 1225671096 /nfs/dbraw/zinc/67/10/96/1225671096.db2.gz ZYGRMUBCSQKWCK-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976978 1225671098 /nfs/dbraw/zinc/67/10/98/1225671098.db2.gz ZYGRMUBCSQKWCK-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222976978 1225671101 /nfs/dbraw/zinc/67/11/01/1225671101.db2.gz ZYGRMUBCSQKWCK-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C)Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)no1 ZINC001223040382 1225675251 /nfs/dbraw/zinc/67/52/51/1225675251.db2.gz XBAJKYAHQGCLKD-PBHICJAKSA-N 2 1 366.462 0.282 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001057741789 1216532550 /nfs/dbraw/zinc/53/25/50/1216532550.db2.gz ZKQWBDCBXHESGJ-IAGOWNOFSA-N 2 1 368.522 0.140 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001052393783 1216546488 /nfs/dbraw/zinc/54/64/88/1216546488.db2.gz QMQAWAFPIHADNV-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC001052393783 1216546493 /nfs/dbraw/zinc/54/64/93/1216546493.db2.gz QMQAWAFPIHADNV-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)CC[NH+]1C ZINC001052393783 1216546500 /nfs/dbraw/zinc/54/65/00/1216546500.db2.gz QMQAWAFPIHADNV-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP Cc1ncc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489940 1216562488 /nfs/dbraw/zinc/56/24/88/1216562488.db2.gz RROKZVNLHMGZES-ZTFGCOKTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489940 1216562493 /nfs/dbraw/zinc/56/24/93/1216562493.db2.gz RROKZVNLHMGZES-ZTFGCOKTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489940 1216562497 /nfs/dbraw/zinc/56/24/97/1216562497.db2.gz RROKZVNLHMGZES-ZTFGCOKTSA-N 2 1 361.490 0.975 20 0 FCADMP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489940 1216562505 /nfs/dbraw/zinc/56/25/05/1216562505.db2.gz RROKZVNLHMGZES-ZTFGCOKTSA-N 2 1 361.490 0.975 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC001057903393 1216602595 /nfs/dbraw/zinc/60/25/95/1216602595.db2.gz HUGHEDFHVQRRIC-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC001057903393 1216602603 /nfs/dbraw/zinc/60/26/03/1216602603.db2.gz HUGHEDFHVQRRIC-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC001057903393 1216602609 /nfs/dbraw/zinc/60/26/09/1216602609.db2.gz HUGHEDFHVQRRIC-DLBZAZTESA-N 2 1 368.522 0.138 20 0 FCADMP CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150519 1225683549 /nfs/dbraw/zinc/68/35/49/1225683549.db2.gz BCRQTXVJFXBUMC-PBIMCDDKSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150519 1225683554 /nfs/dbraw/zinc/68/35/54/1225683554.db2.gz BCRQTXVJFXBUMC-PBIMCDDKSA-N 2 1 363.502 0.809 20 0 FCADMP CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150519 1225683558 /nfs/dbraw/zinc/68/35/58/1225683558.db2.gz BCRQTXVJFXBUMC-PBIMCDDKSA-N 2 1 363.502 0.809 20 0 FCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905518 1216831943 /nfs/dbraw/zinc/83/19/43/1216831943.db2.gz BGMAYNGFMPEVQT-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905518 1216831945 /nfs/dbraw/zinc/83/19/45/1216831945.db2.gz BGMAYNGFMPEVQT-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905518 1216831946 /nfs/dbraw/zinc/83/19/46/1216831946.db2.gz BGMAYNGFMPEVQT-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2n2ccnn2)C1 ZINC001069905518 1216831949 /nfs/dbraw/zinc/83/19/49/1216831949.db2.gz BGMAYNGFMPEVQT-IXDOHACOSA-N 2 1 362.478 0.140 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930300 1216849417 /nfs/dbraw/zinc/84/94/17/1216849417.db2.gz AOMDTJRLJBPOLL-SYQHCUMBSA-N 2 1 374.411 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930300 1216849420 /nfs/dbraw/zinc/84/94/20/1216849420.db2.gz AOMDTJRLJBPOLL-SYQHCUMBSA-N 2 1 374.411 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930300 1216849423 /nfs/dbraw/zinc/84/94/23/1216849423.db2.gz AOMDTJRLJBPOLL-SYQHCUMBSA-N 2 1 374.411 0.912 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930300 1216849427 /nfs/dbraw/zinc/84/94/27/1216849427.db2.gz AOMDTJRLJBPOLL-SYQHCUMBSA-N 2 1 374.411 0.912 20 0 FCADMP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969478 1216875938 /nfs/dbraw/zinc/87/59/38/1216875938.db2.gz XXWPFQGMKHKRDA-XHSDSOJGSA-N 2 1 364.469 0.996 20 0 FCADMP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069980012 1216881788 /nfs/dbraw/zinc/88/17/88/1216881788.db2.gz XPRCXIYKTCSGJF-XYPHTWIQSA-N 2 1 369.429 0.616 20 0 FCADMP CCOC(=O)CCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276888726 1225705047 /nfs/dbraw/zinc/70/50/47/1225705047.db2.gz HTTUYWHJZOEULH-IBGZPJMESA-N 2 1 369.506 0.832 20 0 FCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500950 1225710610 /nfs/dbraw/zinc/71/06/10/1225710610.db2.gz ZUOBHBLGZGFRHN-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500950 1225710613 /nfs/dbraw/zinc/71/06/13/1225710613.db2.gz ZUOBHBLGZGFRHN-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500950 1225710617 /nfs/dbraw/zinc/71/06/17/1225710617.db2.gz ZUOBHBLGZGFRHN-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223500950 1225710620 /nfs/dbraw/zinc/71/06/20/1225710620.db2.gz ZUOBHBLGZGFRHN-NXHRZFHOSA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)N4CCC4)C3)C2)CC[N@H+]1C ZINC001041299824 1217272911 /nfs/dbraw/zinc/27/29/11/1217272911.db2.gz FLVWCWGGZUVSLV-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001041299824 1217272915 /nfs/dbraw/zinc/27/29/15/1217272915.db2.gz FLVWCWGGZUVSLV-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)N4CCC4)C3)C2)CC[NH+]1C ZINC001041299824 1217272922 /nfs/dbraw/zinc/27/29/22/1217272922.db2.gz FLVWCWGGZUVSLV-QKLQHJQFSA-N 2 1 362.518 0.873 20 0 FCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CCOCCNC(C)=O)[C@H]2C1 ZINC001223726536 1225730436 /nfs/dbraw/zinc/73/04/36/1225730436.db2.gz IKCPNYKTIKRCJU-MSOLQXFVSA-N 2 1 368.522 0.404 20 0 FCADMP COC(=O)c1ccnc(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001276922409 1225737996 /nfs/dbraw/zinc/73/79/96/1225737996.db2.gz BCVPSWZCLHNOCR-LJQANCHMSA-N 2 1 360.458 0.854 20 0 FCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912612 1225744599 /nfs/dbraw/zinc/74/45/99/1225744599.db2.gz WKPBCJOCJYVGGW-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912612 1225744604 /nfs/dbraw/zinc/74/46/04/1225744604.db2.gz WKPBCJOCJYVGGW-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223912482 1225744842 /nfs/dbraw/zinc/74/48/42/1225744842.db2.gz WAUBPSGERMOIMF-CVEARBPZSA-N 2 1 362.518 0.920 20 0 FCADMP CCn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916997 1225746015 /nfs/dbraw/zinc/74/60/15/1225746015.db2.gz YPVWATFDTCKBSW-AEFFLSMTSA-N 2 1 363.506 0.904 20 0 FCADMP CCn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916997 1225746018 /nfs/dbraw/zinc/74/60/18/1225746018.db2.gz YPVWATFDTCKBSW-AEFFLSMTSA-N 2 1 363.506 0.904 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223917115 1225746683 /nfs/dbraw/zinc/74/66/83/1225746683.db2.gz ZGODLYZDNKUNJP-SJORKVTESA-N 2 1 368.522 0.354 20 0 FCADMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223962192 1225749180 /nfs/dbraw/zinc/74/91/80/1225749180.db2.gz KTEKRYWADBREBO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223962192 1225749182 /nfs/dbraw/zinc/74/91/82/1225749182.db2.gz KTEKRYWADBREBO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223962192 1225749184 /nfs/dbraw/zinc/74/91/84/1225749184.db2.gz KTEKRYWADBREBO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@H]2C1 ZINC001223962192 1225749185 /nfs/dbraw/zinc/74/91/85/1225749185.db2.gz KTEKRYWADBREBO-CABCVRRESA-N 2 1 367.494 0.097 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C(C)C)[C@H]2C1 ZINC001224140282 1225759743 /nfs/dbraw/zinc/75/97/43/1225759743.db2.gz LJXNCSCIPVAPKM-SJORKVTESA-N 2 1 361.490 0.981 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C(C)C)[C@H]2C1 ZINC001224140282 1225759745 /nfs/dbraw/zinc/75/97/45/1225759745.db2.gz LJXNCSCIPVAPKM-SJORKVTESA-N 2 1 361.490 0.981 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224140219 1225759870 /nfs/dbraw/zinc/75/98/70/1225759870.db2.gz HPGMNACQMDDTSI-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224140219 1225759875 /nfs/dbraw/zinc/75/98/75/1225759875.db2.gz HPGMNACQMDDTSI-SJORKVTESA-N 2 1 361.490 0.983 20 0 FCADMP C[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCC[NH+]3CCN(C)CC3)C2)CC1 ZINC001276960097 1225770067 /nfs/dbraw/zinc/77/00/67/1225770067.db2.gz OQNGKMHEADMAOK-SFHVURJKSA-N 2 1 366.550 0.709 20 0 FCADMP C[NH+](C)CCN1C[C@@H](c2cccnc2)C2(CC[NH+](CC(N)=O)CC2)C1=O ZINC001276965404 1225776009 /nfs/dbraw/zinc/77/60/09/1225776009.db2.gz JZBYMEFMMGTQMK-INIZCTEOSA-N 2 1 359.474 0.137 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001045478886 1217932618 /nfs/dbraw/zinc/93/26/18/1217932618.db2.gz HTNVYCQVUAJFJM-NVXWUHKLSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CCc3ccnn3C)CC2)O1 ZINC001045478886 1217932623 /nfs/dbraw/zinc/93/26/23/1217932623.db2.gz HTNVYCQVUAJFJM-NVXWUHKLSA-N 2 1 363.506 0.652 20 0 FCADMP C[C@H](CO)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276974056 1225780874 /nfs/dbraw/zinc/78/08/74/1225780874.db2.gz LZGCHTRCLKPMKS-ZWKOTPCHSA-N 2 1 366.550 0.471 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCCO)CC3)O1 ZINC001045673462 1217947255 /nfs/dbraw/zinc/94/72/55/1217947255.db2.gz SCBMCXHOQHMXLP-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCCO)CC3)O1 ZINC001045673462 1217947261 /nfs/dbraw/zinc/94/72/61/1217947261.db2.gz SCBMCXHOQHMXLP-IXDOHACOSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCn2cccn2)O1 ZINC001045802718 1217961870 /nfs/dbraw/zinc/96/18/70/1217961870.db2.gz NZSGGNNHWTWSRD-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCn2cccn2)O1 ZINC001045802718 1217961873 /nfs/dbraw/zinc/96/18/73/1217961873.db2.gz NZSGGNNHWTWSRD-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cccn2)O1 ZINC001045802718 1217961875 /nfs/dbraw/zinc/96/18/75/1217961875.db2.gz NZSGGNNHWTWSRD-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCn2cccn2)O1 ZINC001045802718 1217961877 /nfs/dbraw/zinc/96/18/77/1217961877.db2.gz NZSGGNNHWTWSRD-ZJPYXAASSA-N 2 1 361.490 0.668 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC000900480563 1217995589 /nfs/dbraw/zinc/99/55/89/1217995589.db2.gz HYVFTMMEUMHKSF-KRWDZBQOSA-N 3 1 364.538 0.933 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001046330533 1218027031 /nfs/dbraw/zinc/02/70/31/1218027031.db2.gz MIHNAAVTBARWJL-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001046330533 1218027033 /nfs/dbraw/zinc/02/70/33/1218027033.db2.gz MIHNAAVTBARWJL-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046330533 1218027035 /nfs/dbraw/zinc/02/70/35/1218027035.db2.gz MIHNAAVTBARWJL-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001046330533 1218027036 /nfs/dbraw/zinc/02/70/36/1218027036.db2.gz MIHNAAVTBARWJL-FRQCXROJSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001046332235 1218027536 /nfs/dbraw/zinc/02/75/36/1218027536.db2.gz PLXQVGXUTQFMQK-IDHHARJASA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001046332235 1218027541 /nfs/dbraw/zinc/02/75/41/1218027541.db2.gz PLXQVGXUTQFMQK-IDHHARJASA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001046332235 1218027547 /nfs/dbraw/zinc/02/75/47/1218027547.db2.gz PLXQVGXUTQFMQK-IDHHARJASA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001046332235 1218027552 /nfs/dbraw/zinc/02/75/52/1218027552.db2.gz PLXQVGXUTQFMQK-IDHHARJASA-N 2 1 366.506 0.202 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418144 1218034583 /nfs/dbraw/zinc/03/45/83/1218034583.db2.gz QHRCNWYWLXASCY-MZMPZRCHSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046418144 1218034586 /nfs/dbraw/zinc/03/45/86/1218034586.db2.gz QHRCNWYWLXASCY-MZMPZRCHSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418144 1218034588 /nfs/dbraw/zinc/03/45/88/1218034588.db2.gz QHRCNWYWLXASCY-MZMPZRCHSA-N 2 1 364.494 0.195 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046418144 1218034592 /nfs/dbraw/zinc/03/45/92/1218034592.db2.gz QHRCNWYWLXASCY-MZMPZRCHSA-N 2 1 364.494 0.195 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000801542039 1218128091 /nfs/dbraw/zinc/12/80/91/1218128091.db2.gz XLXJWBWPBJTXJO-MRXNPFEDSA-N 2 1 371.485 0.684 20 0 FCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000801542039 1218128096 /nfs/dbraw/zinc/12/80/96/1218128096.db2.gz XLXJWBWPBJTXJO-MRXNPFEDSA-N 2 1 371.485 0.684 20 0 FCADMP Cc1c[nH]c(=O)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC001277012142 1225799303 /nfs/dbraw/zinc/79/93/03/1225799303.db2.gz RPEXYODHKJUYRA-LJQANCHMSA-N 2 1 362.474 0.708 20 0 FCADMP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1=O ZINC001096354662 1218262164 /nfs/dbraw/zinc/26/21/64/1218262164.db2.gz NVFNYOVBKGFCOE-IKGGRYGDSA-N 2 1 356.470 0.703 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)CC2)CC[N@@H+]1C ZINC001048606454 1218295278 /nfs/dbraw/zinc/29/52/78/1218295278.db2.gz MRJCBZVYAXFKTG-KLHDSHLOSA-N 2 1 363.510 0.563 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)CC2)CC[N@H+]1C ZINC001048606454 1218295285 /nfs/dbraw/zinc/29/52/85/1218295285.db2.gz MRJCBZVYAXFKTG-KLHDSHLOSA-N 2 1 363.510 0.563 20 0 FCADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075376 1218378100 /nfs/dbraw/zinc/37/81/00/1218378100.db2.gz OSXURKXUSGWBDN-HCXYKTFWSA-N 2 1 370.497 0.468 20 0 FCADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075376 1218378104 /nfs/dbraw/zinc/37/81/04/1218378104.db2.gz OSXURKXUSGWBDN-HCXYKTFWSA-N 2 1 370.497 0.468 20 0 FCADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049075376 1218378110 /nfs/dbraw/zinc/37/81/10/1218378110.db2.gz OSXURKXUSGWBDN-HCXYKTFWSA-N 2 1 370.497 0.468 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C[C@@H]1O ZINC001049150392 1218389763 /nfs/dbraw/zinc/38/97/63/1218389763.db2.gz XHDPENHYONIAFG-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1O ZINC001049150392 1218389770 /nfs/dbraw/zinc/38/97/70/1218389770.db2.gz XHDPENHYONIAFG-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O ZINC001049150392 1218389775 /nfs/dbraw/zinc/38/97/75/1218389775.db2.gz XHDPENHYONIAFG-YVSFHVDLSA-N 2 1 368.522 0.089 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1nccn2cnnc12 ZINC000903756284 1218516333 /nfs/dbraw/zinc/51/63/33/1218516333.db2.gz PTIZHXSUVUHZRW-HZPDHXFCSA-N 2 1 371.489 0.794 20 0 FCADMP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757606 1218516365 /nfs/dbraw/zinc/51/63/65/1218516365.db2.gz DVSUAIRUQHHLQW-LSDHHAIUSA-N 2 1 363.462 0.860 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001225846175 1225826301 /nfs/dbraw/zinc/82/63/01/1225826301.db2.gz DRXOEJOHUFOMMW-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001225846175 1225826302 /nfs/dbraw/zinc/82/63/02/1225826302.db2.gz DRXOEJOHUFOMMW-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225846175 1225826306 /nfs/dbraw/zinc/82/63/06/1225826306.db2.gz DRXOEJOHUFOMMW-HMQMGEFJSA-N 2 1 365.522 0.854 20 0 FCADMP Cn1ccn2c(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)nnc2c1=O ZINC000903793824 1218529451 /nfs/dbraw/zinc/52/94/51/1218529451.db2.gz VFSVWRLHSIXOER-UHFFFAOYSA-N 2 1 352.442 0.921 20 0 FCADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000903937866 1218568647 /nfs/dbraw/zinc/56/86/47/1218568647.db2.gz SWZXQOQDRKGLCJ-KRWDZBQOSA-N 2 1 356.478 0.353 20 0 FCADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001096608797 1218576673 /nfs/dbraw/zinc/57/66/73/1218576673.db2.gz FTAYXIBTEZWQPO-UBDQQSCGSA-N 2 1 356.470 0.972 20 0 FCADMP Nc1cccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)n1 ZINC001277122910 1225841369 /nfs/dbraw/zinc/84/13/69/1225841369.db2.gz JTZDEUDCSLFVSK-GOSISDBHSA-N 2 1 356.430 0.364 20 0 FCADMP Nc1cccc(CN2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)n1 ZINC001277122910 1225841371 /nfs/dbraw/zinc/84/13/71/1225841371.db2.gz JTZDEUDCSLFVSK-GOSISDBHSA-N 2 1 356.430 0.364 20 0 FCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001097707055 1218839350 /nfs/dbraw/zinc/83/93/50/1218839350.db2.gz ICPJMNWQFNLAIM-ZJPYXAASSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cccn2)C1 ZINC001097707055 1218839352 /nfs/dbraw/zinc/83/93/52/1218839352.db2.gz ICPJMNWQFNLAIM-ZJPYXAASSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)C1 ZINC001097707055 1218839353 /nfs/dbraw/zinc/83/93/53/1218839353.db2.gz ICPJMNWQFNLAIM-ZJPYXAASSA-N 2 1 361.490 0.714 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)C1 ZINC001097707055 1218839354 /nfs/dbraw/zinc/83/93/54/1218839354.db2.gz ICPJMNWQFNLAIM-ZJPYXAASSA-N 2 1 361.490 0.714 20 0 FCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001097778897 1218845347 /nfs/dbraw/zinc/84/53/47/1218845347.db2.gz ABBWKILFCOVZKW-XDNAFOTISA-N 2 1 361.490 0.307 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCn4cncn4)C3)C2)CC[N@H+]1C ZINC001054134633 1218899143 /nfs/dbraw/zinc/89/91/43/1218899143.db2.gz JIMHYKISHAWYLV-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001054134633 1218899145 /nfs/dbraw/zinc/89/91/45/1218899145.db2.gz JIMHYKISHAWYLV-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CCn4cncn4)C3)C2)CC[NH+]1C ZINC001054134633 1218899146 /nfs/dbraw/zinc/89/91/46/1218899146.db2.gz JIMHYKISHAWYLV-LMMKCTJWSA-N 2 1 360.506 0.933 20 0 FCADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC1 ZINC001097975886 1219000458 /nfs/dbraw/zinc/00/04/58/1219000458.db2.gz IDLPUICIOYDNNI-ZACQAIPSSA-N 2 1 363.506 0.465 20 0 FCADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055545234 1219075106 /nfs/dbraw/zinc/07/51/06/1219075106.db2.gz FQMVCWZKUTZWGI-OXFYSEKESA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055545234 1219075111 /nfs/dbraw/zinc/07/51/11/1219075111.db2.gz FQMVCWZKUTZWGI-OXFYSEKESA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001055583548 1219087995 /nfs/dbraw/zinc/08/79/95/1219087995.db2.gz RVHYPANIFWEKCL-DJIMGWMZSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccco3)CC2)CC[N@H+]1C ZINC001055583710 1219088153 /nfs/dbraw/zinc/08/81/53/1219088153.db2.gz ZNZOTYWFTVFYEO-GDBMZVCRSA-N 2 1 362.474 0.930 20 0 FCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000804053039 1219105738 /nfs/dbraw/zinc/10/57/38/1219105738.db2.gz IDFISEXNXPTOOC-IKGGRYGDSA-N 2 1 366.506 0.204 20 0 FCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804055942 1219109938 /nfs/dbraw/zinc/10/99/38/1219109938.db2.gz PTHGOYWYVLQNDW-IAGOWNOFSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000804058932 1219112192 /nfs/dbraw/zinc/11/21/92/1219112192.db2.gz GYWYMNXUQWIJDH-IKGGRYGDSA-N 2 1 366.506 0.347 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804058224 1219113161 /nfs/dbraw/zinc/11/31/61/1219113161.db2.gz UFZSGOUXSCWJJU-DLBZAZTESA-N 2 1 368.522 0.546 20 0 FCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804058233 1219113360 /nfs/dbraw/zinc/11/33/60/1219113360.db2.gz UFZSGOUXSCWJJU-SJORKVTESA-N 2 1 368.522 0.546 20 0 FCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000804062741 1219118339 /nfs/dbraw/zinc/11/83/39/1219118339.db2.gz KNKZNQQQCNCRAN-OAGGEKHMSA-N 2 1 368.522 0.448 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)COCCOC)CC2)CC[N@H+]1C ZINC001227454819 1225875703 /nfs/dbraw/zinc/87/57/03/1225875703.db2.gz VKVQJFSOZHHVCU-FGTMMUONSA-N 2 1 371.522 0.321 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCOCC1 ZINC001070144117 1219223994 /nfs/dbraw/zinc/22/39/94/1219223994.db2.gz RYNSDEFZQZKWPW-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070144117 1219223997 /nfs/dbraw/zinc/22/39/97/1219223997.db2.gz RYNSDEFZQZKWPW-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070144117 1219224007 /nfs/dbraw/zinc/22/40/07/1219224007.db2.gz RYNSDEFZQZKWPW-HZPDHXFCSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158420 1219244623 /nfs/dbraw/zinc/24/46/23/1219244623.db2.gz JTMVZHWUKRMEDS-ZACQAIPSSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158420 1219244628 /nfs/dbraw/zinc/24/46/28/1219244628.db2.gz JTMVZHWUKRMEDS-ZACQAIPSSA-N 2 1 370.461 0.012 20 0 FCADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)c1 ZINC001070158322 1219244949 /nfs/dbraw/zinc/24/49/49/1219244949.db2.gz FXEBAPMIAFFYBK-SQNIBIBYSA-N 2 1 369.473 0.617 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070158596 1219246422 /nfs/dbraw/zinc/24/64/22/1219246422.db2.gz RFSQOTNIKONGDD-IKGGRYGDSA-N 2 1 362.478 0.140 20 0 FCADMP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227543480 1225878251 /nfs/dbraw/zinc/87/82/51/1225878251.db2.gz KEOWTVWHTJJQNI-HUUCEWRRSA-N 2 1 361.490 0.915 20 0 FCADMP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525264 1225878369 /nfs/dbraw/zinc/87/83/69/1225878369.db2.gz QWMYCUZSJFSTDJ-BRWVUGGUSA-N 2 1 368.478 0.232 20 0 FCADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070208913 1219294045 /nfs/dbraw/zinc/29/40/45/1219294045.db2.gz DOOHNORJCANWLK-SQNIBIBYSA-N 2 1 369.473 0.555 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)CC2 ZINC001070260391 1219330666 /nfs/dbraw/zinc/33/06/66/1219330666.db2.gz HBCPVXMKPSRCQP-UAGQMJEPSA-N 2 1 357.462 0.796 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)C2 ZINC001070275254 1219342574 /nfs/dbraw/zinc/34/25/74/1219342574.db2.gz CKPALXKOWTZRED-UAGQMJEPSA-N 2 1 357.462 0.796 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277572 1219343953 /nfs/dbraw/zinc/34/39/53/1219343953.db2.gz UJXSSNVVRCPFOX-PMPSAXMXSA-N 2 1 361.450 0.456 20 0 FCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070288236 1219351857 /nfs/dbraw/zinc/35/18/57/1219351857.db2.gz HFRBBQRQYATDSL-CABCVRRESA-N 2 1 361.450 0.022 20 0 FCADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070309215 1219367023 /nfs/dbraw/zinc/36/70/23/1219367023.db2.gz WKRMOBQYJCOCQM-ZACQAIPSSA-N 2 1 364.494 0.267 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326902 1219376756 /nfs/dbraw/zinc/37/67/56/1219376756.db2.gz ICJJRDGUAWDYDE-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326902 1219376763 /nfs/dbraw/zinc/37/67/63/1219376763.db2.gz ICJJRDGUAWDYDE-IMJJTQAJSA-N 2 1 359.434 0.068 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)[nH]2)C1 ZINC001070357446 1219395526 /nfs/dbraw/zinc/39/55/26/1219395526.db2.gz NYFYUQOFABNQAU-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n[nH]2)C1 ZINC001070357446 1219395529 /nfs/dbraw/zinc/39/55/29/1219395529.db2.gz NYFYUQOFABNQAU-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n[nH]2)C1 ZINC001070357446 1219395533 /nfs/dbraw/zinc/39/55/33/1219395533.db2.gz NYFYUQOFABNQAU-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n2)C1 ZINC001070357446 1219395538 /nfs/dbraw/zinc/39/55/38/1219395538.db2.gz NYFYUQOFABNQAU-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC3CC3)n2)C1 ZINC001070357446 1219395542 /nfs/dbraw/zinc/39/55/42/1219395542.db2.gz NYFYUQOFABNQAU-KKUMJFAQSA-N 2 1 362.478 0.245 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CC3CC3)C2)O1 ZINC001070412815 1219410024 /nfs/dbraw/zinc/41/00/24/1219410024.db2.gz KWXWEXOFTAPKPV-FRFSOERESA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CC3CC3)C2)O1 ZINC001070412815 1219410027 /nfs/dbraw/zinc/41/00/27/1219410027.db2.gz KWXWEXOFTAPKPV-FRFSOERESA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CC3CC3)C2)O1 ZINC001070412815 1219410028 /nfs/dbraw/zinc/41/00/28/1219410028.db2.gz KWXWEXOFTAPKPV-FRFSOERESA-N 2 1 361.490 0.944 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CC3CC3)C2)O1 ZINC001070412815 1219410032 /nfs/dbraw/zinc/41/00/32/1219410032.db2.gz KWXWEXOFTAPKPV-FRFSOERESA-N 2 1 361.490 0.944 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)c1 ZINC001070477805 1219428212 /nfs/dbraw/zinc/42/82/12/1219428212.db2.gz UFPZDRKYWPXLFI-JQHSSLGASA-N 2 1 361.490 0.435 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC2CCC2)c1 ZINC001070477805 1219428215 /nfs/dbraw/zinc/42/82/15/1219428215.db2.gz UFPZDRKYWPXLFI-JQHSSLGASA-N 2 1 361.490 0.435 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526160 1219454254 /nfs/dbraw/zinc/45/42/54/1219454254.db2.gz UMMWSCOZBLNWSO-JQHSSLGASA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526160 1219454257 /nfs/dbraw/zinc/45/42/57/1219454257.db2.gz UMMWSCOZBLNWSO-JQHSSLGASA-N 2 1 363.506 0.822 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070542948 1219460557 /nfs/dbraw/zinc/46/05/57/1219460557.db2.gz CBSUSQAFUROEBR-CGTJXYLNSA-N 2 1 363.506 0.559 20 0 FCADMP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070547329 1219462025 /nfs/dbraw/zinc/46/20/25/1219462025.db2.gz XDPFQHFGOAAJJW-FUHWJXTLSA-N 2 1 363.506 0.682 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070555628 1219467750 /nfs/dbraw/zinc/46/77/50/1219467750.db2.gz JITSGQJDTUIMOI-DOTOQJQBSA-N 2 1 370.457 0.588 20 0 FCADMP Cn1cnc([C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001070567898 1219473262 /nfs/dbraw/zinc/47/32/62/1219473262.db2.gz NMELLILDQRIVGJ-UHOSZYNNSA-N 2 1 371.485 0.599 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)n2)O1 ZINC001070574353 1219476316 /nfs/dbraw/zinc/47/63/16/1219476316.db2.gz JKGKGBAYQWYHLP-BYNSBNAKSA-N 2 1 364.494 0.981 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n[nH]2)O1 ZINC001070574353 1219476318 /nfs/dbraw/zinc/47/63/18/1219476318.db2.gz JKGKGBAYQWYHLP-BYNSBNAKSA-N 2 1 364.494 0.981 20 0 FCADMP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)n[nH]2)O1 ZINC001070574353 1219476321 /nfs/dbraw/zinc/47/63/21/1219476321.db2.gz JKGKGBAYQWYHLP-BYNSBNAKSA-N 2 1 364.494 0.981 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070629704 1219494206 /nfs/dbraw/zinc/49/42/06/1219494206.db2.gz RWSUKENUPIUKBT-KZNAEPCWSA-N 2 1 368.485 0.994 20 0 FCADMP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688677 1219526048 /nfs/dbraw/zinc/52/60/48/1219526048.db2.gz RRSFFXVHBHYNMS-ARFHVFGLSA-N 2 1 363.506 0.417 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccon1 ZINC001070717931 1219540392 /nfs/dbraw/zinc/54/03/92/1219540392.db2.gz CXEWDAWMPOBWTE-NUEKZKHPSA-N 2 1 358.446 0.444 20 0 FCADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccon1 ZINC001070717931 1219540397 /nfs/dbraw/zinc/54/03/97/1219540397.db2.gz CXEWDAWMPOBWTE-NUEKZKHPSA-N 2 1 358.446 0.444 20 0 FCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927076 1219583781 /nfs/dbraw/zinc/58/37/81/1219583781.db2.gz VIHOMMIKRHJPPQ-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070927076 1219583783 /nfs/dbraw/zinc/58/37/83/1219583783.db2.gz VIHOMMIKRHJPPQ-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070927076 1219583789 /nfs/dbraw/zinc/58/37/89/1219583789.db2.gz VIHOMMIKRHJPPQ-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070927076 1219583792 /nfs/dbraw/zinc/58/37/92/1219583792.db2.gz VIHOMMIKRHJPPQ-BZUAXINKSA-N 2 1 368.522 0.543 20 0 FCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071106616 1219608276 /nfs/dbraw/zinc/60/82/76/1219608276.db2.gz MBGWPAZSDDXCRT-RYRKJORJSA-N 2 1 366.506 0.332 20 0 FCADMP CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073124184 1219637744 /nfs/dbraw/zinc/63/77/44/1219637744.db2.gz ZYKXZZJPOCHVNF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073124184 1219637746 /nfs/dbraw/zinc/63/77/46/1219637746.db2.gz ZYKXZZJPOCHVNF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073124184 1219637748 /nfs/dbraw/zinc/63/77/48/1219637748.db2.gz ZYKXZZJPOCHVNF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[NH+](C)CCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073124184 1219637751 /nfs/dbraw/zinc/63/77/51/1219637751.db2.gz ZYKXZZJPOCHVNF-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073123632 1219638294 /nfs/dbraw/zinc/63/82/94/1219638294.db2.gz DTXMJDRNFVNOSD-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001073123632 1219638296 /nfs/dbraw/zinc/63/82/96/1219638296.db2.gz DTXMJDRNFVNOSD-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073123632 1219638299 /nfs/dbraw/zinc/63/82/99/1219638299.db2.gz DTXMJDRNFVNOSD-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CCC[NH+](C)CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073123632 1219638302 /nfs/dbraw/zinc/63/83/02/1219638302.db2.gz DTXMJDRNFVNOSD-HZPDHXFCSA-N 2 1 368.522 0.545 20 0 FCADMP CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001074603546 1219702153 /nfs/dbraw/zinc/70/21/53/1219702153.db2.gz NUKUSPAVVZWKRJ-OAGGEKHMSA-N 2 1 368.522 0.137 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188134 1219735890 /nfs/dbraw/zinc/73/58/90/1219735890.db2.gz ZXRHCVYYXXFYRA-PILAGYSTSA-N 2 1 362.518 0.964 20 0 FCADMP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188134 1219735893 /nfs/dbraw/zinc/73/58/93/1219735893.db2.gz ZXRHCVYYXXFYRA-PILAGYSTSA-N 2 1 362.518 0.964 20 0 FCADMP Cc1nc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)n1 ZINC001098219399 1219741852 /nfs/dbraw/zinc/74/18/52/1219741852.db2.gz CSZKKHJQLJRODH-MLHJIOFPSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)n1 ZINC001098219399 1219741854 /nfs/dbraw/zinc/74/18/54/1219741854.db2.gz CSZKKHJQLJRODH-MLHJIOFPSA-N 2 1 360.506 0.958 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C3)n1 ZINC001098219399 1219741859 /nfs/dbraw/zinc/74/18/59/1219741859.db2.gz CSZKKHJQLJRODH-MLHJIOFPSA-N 2 1 360.506 0.958 20 0 FCADMP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098224784 1219743971 /nfs/dbraw/zinc/74/39/71/1219743971.db2.gz FRIXOMLPHLNUSG-NCOADZHNSA-N 2 1 360.502 0.813 20 0 FCADMP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098224784 1219743975 /nfs/dbraw/zinc/74/39/75/1219743975.db2.gz FRIXOMLPHLNUSG-NCOADZHNSA-N 2 1 360.502 0.813 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3cncn3C)CC2)CC[N@H+]1C ZINC001098371470 1219768023 /nfs/dbraw/zinc/76/80/23/1219768023.db2.gz SUIIIPFBSVFWOV-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3cncn3C)CC2)CC[NH+]1C ZINC001098371470 1219768026 /nfs/dbraw/zinc/76/80/26/1219768026.db2.gz SUIIIPFBSVFWOV-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3cncn3C)CC2)CC[NH+]1C ZINC001098371470 1219768028 /nfs/dbraw/zinc/76/80/28/1219768028.db2.gz SUIIIPFBSVFWOV-CRAIPNDOSA-N 2 1 363.506 0.546 20 0 FCADMP CCCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371453 1219768132 /nfs/dbraw/zinc/76/81/32/1219768132.db2.gz RLHJNTGVAGEESM-NVXWUHKLSA-N 2 1 368.522 0.138 20 0 FCADMP CCCNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371453 1219768133 /nfs/dbraw/zinc/76/81/33/1219768133.db2.gz RLHJNTGVAGEESM-NVXWUHKLSA-N 2 1 368.522 0.138 20 0 FCADMP CCCNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371453 1219768135 /nfs/dbraw/zinc/76/81/35/1219768135.db2.gz RLHJNTGVAGEESM-NVXWUHKLSA-N 2 1 368.522 0.138 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H](C)O2 ZINC001098603652 1219805565 /nfs/dbraw/zinc/80/55/65/1219805565.db2.gz UEZLBGWNVNJCGY-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H](C)O2 ZINC001098603652 1219805568 /nfs/dbraw/zinc/80/55/68/1219805568.db2.gz UEZLBGWNVNJCGY-ARFHVFGLSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCF)nn3)C2)O1 ZINC001098685960 1219810971 /nfs/dbraw/zinc/81/09/71/1219810971.db2.gz VVRDMJVMOOPHTQ-FVQBIDKESA-N 2 1 368.457 0.220 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111459529 1219825003 /nfs/dbraw/zinc/82/50/03/1219825003.db2.gz BPYGBYHANBCTBP-WCVJEAGWSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111459529 1219825006 /nfs/dbraw/zinc/82/50/06/1219825006.db2.gz BPYGBYHANBCTBP-WCVJEAGWSA-N 2 1 362.474 0.389 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001098945629 1219871717 /nfs/dbraw/zinc/87/17/17/1219871717.db2.gz CZMNBSWVXHKYDG-NQYLQCIDSA-N 2 1 371.485 0.621 20 0 FCADMP O=C(Cn1c[nH+]c2c1CCCC2)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001098945629 1219871721 /nfs/dbraw/zinc/87/17/21/1219871721.db2.gz CZMNBSWVXHKYDG-NQYLQCIDSA-N 2 1 371.485 0.621 20 0 FCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959210 1219874950 /nfs/dbraw/zinc/87/49/50/1219874950.db2.gz GNIJVTTXWORDRS-HQRMLTQVSA-N 2 1 362.518 0.920 20 0 FCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959210 1219874955 /nfs/dbraw/zinc/87/49/55/1219874955.db2.gz GNIJVTTXWORDRS-HQRMLTQVSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001099026945 1219892444 /nfs/dbraw/zinc/89/24/44/1219892444.db2.gz ILHHYQWCIPKKRO-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001099026945 1219892447 /nfs/dbraw/zinc/89/24/47/1219892447.db2.gz ILHHYQWCIPKKRO-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001099026945 1219892451 /nfs/dbraw/zinc/89/24/51/1219892451.db2.gz ILHHYQWCIPKKRO-YRNRMSPPSA-N 2 1 362.518 0.920 20 0 FCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001099123214 1219921222 /nfs/dbraw/zinc/92/12/22/1219921222.db2.gz YJZVWWXZTPWDDO-FTRWYGJKSA-N 2 1 360.502 0.674 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cccn2)C3)C1 ZINC001099168690 1219938733 /nfs/dbraw/zinc/93/87/33/1219938733.db2.gz FPDQZPIUCWWFPM-LNLFQRSKSA-N 2 1 361.490 0.575 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCn2cccn2)C3)C1 ZINC001099168690 1219938734 /nfs/dbraw/zinc/93/87/34/1219938734.db2.gz FPDQZPIUCWWFPM-LNLFQRSKSA-N 2 1 361.490 0.575 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cccn2)C3)C1 ZINC001099168690 1219938736 /nfs/dbraw/zinc/93/87/36/1219938736.db2.gz FPDQZPIUCWWFPM-LNLFQRSKSA-N 2 1 361.490 0.575 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cccn2)C3)C1 ZINC001099168690 1219938737 /nfs/dbraw/zinc/93/87/37/1219938737.db2.gz FPDQZPIUCWWFPM-LNLFQRSKSA-N 2 1 361.490 0.575 20 0 FCADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C(F)(F)F)cn1 ZINC001099333405 1219969501 /nfs/dbraw/zinc/96/95/01/1219969501.db2.gz ZABVXFIVPODYHK-ZIAGYGMSSA-N 2 1 371.407 0.995 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc4ncccc4[nH]3)C2)OCC1=O ZINC001277312663 1225935198 /nfs/dbraw/zinc/93/51/98/1225935198.db2.gz LCNYOIYKNSOFMN-LJQANCHMSA-N 2 1 357.458 0.928 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1)[NH+](C)C ZINC001099491374 1220013538 /nfs/dbraw/zinc/01/35/38/1220013538.db2.gz IPGPMKFGVFSYOV-LESCRADOSA-N 2 1 363.510 0.515 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001099499622 1220015148 /nfs/dbraw/zinc/01/51/48/1220015148.db2.gz KUMFKXJCVMVDSW-BXWFABGCSA-N 2 1 360.506 0.875 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001099535645 1220026124 /nfs/dbraw/zinc/02/61/24/1220026124.db2.gz QRGMWDSSGPHGLS-BXWFABGCSA-N 2 1 359.474 0.641 20 0 FCADMP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172039 1220208322 /nfs/dbraw/zinc/20/83/22/1220208322.db2.gz TZTMNRBZCPMDHC-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172039 1220208328 /nfs/dbraw/zinc/20/83/28/1220208328.db2.gz TZTMNRBZCPMDHC-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CCN(C(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1)C1CC1 ZINC001101172039 1220208335 /nfs/dbraw/zinc/20/83/35/1220208335.db2.gz TZTMNRBZCPMDHC-SYNHAJSKSA-N 2 1 362.518 0.872 20 0 FCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240545 1220240473 /nfs/dbraw/zinc/24/04/73/1220240473.db2.gz AUSQUXNBGGGHEM-UWVAXJGDSA-N 2 1 362.518 0.633 20 0 FCADMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101257293 1220251088 /nfs/dbraw/zinc/25/10/88/1220251088.db2.gz NQUMZVUERZGAJQ-GJYPPUQNSA-N 2 1 370.513 0.971 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267578 1220256593 /nfs/dbraw/zinc/25/65/93/1220256593.db2.gz KTXWXSMQRNKPKW-POAQFYNOSA-N 2 1 362.518 0.633 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267832 1220256912 /nfs/dbraw/zinc/25/69/12/1220256912.db2.gz UMYYNCISJKPMGU-POAQFYNOSA-N 2 1 364.534 0.974 20 0 FCADMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341818 1220295793 /nfs/dbraw/zinc/29/57/93/1220295793.db2.gz RCZMQCKAHUMHDL-XLIONFOSSA-N 2 1 364.534 0.977 20 0 FCADMP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1)C1CC1 ZINC001101342569 1220295806 /nfs/dbraw/zinc/29/58/06/1220295806.db2.gz AMCZWVDBKOGOCJ-BEFAXECRSA-N 2 1 362.518 0.729 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344991 1220296656 /nfs/dbraw/zinc/29/66/56/1220296656.db2.gz OFHFLLCELASCCW-APWZRJJASA-N 2 1 367.538 0.816 20 0 FCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368740 1220305103 /nfs/dbraw/zinc/30/51/03/1220305103.db2.gz KNWIJYULBBTXKI-QINHECLXSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368740 1220305108 /nfs/dbraw/zinc/30/51/08/1220305108.db2.gz KNWIJYULBBTXKI-QINHECLXSA-N 2 1 364.534 0.975 20 0 FCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]3(C)C2)C1=O ZINC001101368740 1220305111 /nfs/dbraw/zinc/30/51/11/1220305111.db2.gz KNWIJYULBBTXKI-QINHECLXSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429848 1220340465 /nfs/dbraw/zinc/34/04/65/1220340465.db2.gz CBSVMPAXRNWYCK-QKLQHJQFSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429848 1220340470 /nfs/dbraw/zinc/34/04/70/1220340470.db2.gz CBSVMPAXRNWYCK-QKLQHJQFSA-N 2 1 364.534 0.975 20 0 FCADMP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429848 1220340474 /nfs/dbraw/zinc/34/04/74/1220340474.db2.gz CBSVMPAXRNWYCK-QKLQHJQFSA-N 2 1 364.534 0.975 20 0 FCADMP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432318 1220340882 /nfs/dbraw/zinc/34/08/82/1220340882.db2.gz LLQQGUKURKREHI-VCBZYWHSSA-N 2 1 362.474 0.549 20 0 FCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432318 1220340884 /nfs/dbraw/zinc/34/08/84/1220340884.db2.gz LLQQGUKURKREHI-VCBZYWHSSA-N 2 1 362.474 0.549 20 0 FCADMP Cn1cc(CC[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101432274 1220341951 /nfs/dbraw/zinc/34/19/51/1220341951.db2.gz KDLNIRLYQJVKNZ-MJGOQNOKSA-N 2 1 363.506 0.321 20 0 FCADMP Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)nc1=O ZINC001101437574 1220344229 /nfs/dbraw/zinc/34/42/29/1220344229.db2.gz CYJHQHNPDWOXTM-KDOFPFPSSA-N 2 1 364.494 0.121 20 0 FCADMP Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@]3(C)C2)nc1=O ZINC001101437574 1220344235 /nfs/dbraw/zinc/34/42/35/1220344235.db2.gz CYJHQHNPDWOXTM-KDOFPFPSSA-N 2 1 364.494 0.121 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101461504 1220359094 /nfs/dbraw/zinc/35/90/94/1220359094.db2.gz FZKGIDVBXFZNOK-BEFAXECRSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101461504 1220359098 /nfs/dbraw/zinc/35/90/98/1220359098.db2.gz FZKGIDVBXFZNOK-BEFAXECRSA-N 2 1 361.490 0.887 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101983651 1220452721 /nfs/dbraw/zinc/45/27/21/1220452721.db2.gz IQJCQIMYCCLUJU-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001101983651 1220452723 /nfs/dbraw/zinc/45/27/23/1220452723.db2.gz IQJCQIMYCCLUJU-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)CC[NH+]1C ZINC001101983651 1220452726 /nfs/dbraw/zinc/45/27/26/1220452726.db2.gz IQJCQIMYCCLUJU-NRSFXHEJSA-N 2 1 364.534 0.927 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1 ZINC001102047828 1220476761 /nfs/dbraw/zinc/47/67/61/1220476761.db2.gz UMPCJJGIDMOBGU-FSPWUOQZSA-N 2 1 362.522 0.919 20 0 FCADMP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1 ZINC001102047829 1220477317 /nfs/dbraw/zinc/47/73/17/1220477317.db2.gz UMPCJJGIDMOBGU-XWIAVFTESA-N 2 1 362.522 0.919 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046327 1220477591 /nfs/dbraw/zinc/47/75/91/1220477591.db2.gz YQXLCKQWYSUXDD-BZUAXINKSA-N 2 1 360.506 0.934 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088334 1220491879 /nfs/dbraw/zinc/49/18/79/1220491879.db2.gz SQAMYBBOMBDNMH-RBSFLKMASA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104105 1220495873 /nfs/dbraw/zinc/49/58/73/1220495873.db2.gz GDHGIYLZDWSELF-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102104105 1220495878 /nfs/dbraw/zinc/49/58/78/1220495878.db2.gz GDHGIYLZDWSELF-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102104105 1220495884 /nfs/dbraw/zinc/49/58/84/1220495884.db2.gz GDHGIYLZDWSELF-ZIAGYGMSSA-N 2 1 369.510 0.247 20 0 FCADMP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108473 1220498843 /nfs/dbraw/zinc/49/88/43/1220498843.db2.gz ONGRNDYYWKRRCB-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108473 1220498847 /nfs/dbraw/zinc/49/88/47/1220498847.db2.gz ONGRNDYYWKRRCB-HZPDHXFCSA-N 2 1 371.489 0.921 20 0 FCADMP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108281 1220499136 /nfs/dbraw/zinc/49/91/36/1220499136.db2.gz FCCGDXXESRYDJF-BZUAXINKSA-N 2 1 361.490 0.727 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157644 1220528517 /nfs/dbraw/zinc/52/85/17/1220528517.db2.gz LWDFFXPAEPLQBJ-HUUCEWRRSA-N 2 1 361.490 0.534 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157644 1220528523 /nfs/dbraw/zinc/52/85/23/1220528523.db2.gz LWDFFXPAEPLQBJ-HUUCEWRRSA-N 2 1 361.490 0.534 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157529 1220528794 /nfs/dbraw/zinc/52/87/94/1220528794.db2.gz JCNOGXLVGXMYPV-HZPDHXFCSA-N 2 1 371.489 0.738 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001102157529 1220528801 /nfs/dbraw/zinc/52/88/01/1220528801.db2.gz JCNOGXLVGXMYPV-HZPDHXFCSA-N 2 1 371.489 0.738 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185531 1220540706 /nfs/dbraw/zinc/54/07/06/1220540706.db2.gz GVNHEIDAUFDFMB-SZVBFZGTSA-N 2 1 362.518 0.777 20 0 FCADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290768 1220576291 /nfs/dbraw/zinc/57/62/91/1220576291.db2.gz UZCQBTFIHULEJZ-ZACQAIPSSA-N 2 1 371.522 0.036 20 0 FCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467478 1220637239 /nfs/dbraw/zinc/63/72/39/1220637239.db2.gz ODYXDMLZRVPEDN-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467478 1220637242 /nfs/dbraw/zinc/63/72/42/1220637242.db2.gz ODYXDMLZRVPEDN-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467025 1220637482 /nfs/dbraw/zinc/63/74/82/1220637482.db2.gz DKIVAYAOKRFCBK-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467025 1220637485 /nfs/dbraw/zinc/63/74/85/1220637485.db2.gz DKIVAYAOKRFCBK-IAGOWNOFSA-N 2 1 368.522 0.309 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469076 1220639487 /nfs/dbraw/zinc/63/94/87/1220639487.db2.gz OJACRDMSVPQZBP-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469076 1220639489 /nfs/dbraw/zinc/63/94/89/1220639489.db2.gz OJACRDMSVPQZBP-BZUAXINKSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480034 1220647282 /nfs/dbraw/zinc/64/72/82/1220647282.db2.gz UFTFWNBMRGOZIG-BZUAXINKSA-N 2 1 364.490 0.208 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486831 1220650333 /nfs/dbraw/zinc/65/03/33/1220650333.db2.gz WXKFVPCXVDQALO-BZUAXINKSA-N 2 1 368.522 0.258 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488610 1220651915 /nfs/dbraw/zinc/65/19/15/1220651915.db2.gz AYEIPVYTZVKPRW-NVXWUHKLSA-N 2 1 363.506 0.715 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488761 1220652426 /nfs/dbraw/zinc/65/24/26/1220652426.db2.gz HSURPKRQGKBDBC-HUUCEWRRSA-N 2 1 366.506 0.060 20 0 FCADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102514377 1220673281 /nfs/dbraw/zinc/67/32/81/1220673281.db2.gz VIRXGFWFBKKSSA-BFYDXBDKSA-N 2 1 368.522 0.163 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525826 1220681541 /nfs/dbraw/zinc/68/15/41/1220681541.db2.gz WZGSOHMBIUBBLS-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525826 1220681544 /nfs/dbraw/zinc/68/15/44/1220681544.db2.gz WZGSOHMBIUBBLS-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525826 1220681548 /nfs/dbraw/zinc/68/15/48/1220681548.db2.gz WZGSOHMBIUBBLS-IXDOHACOSA-N 2 1 370.538 0.554 20 0 FCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102525375 1220682071 /nfs/dbraw/zinc/68/20/71/1220682071.db2.gz ZFUOMSMDPILPEX-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102525375 1220682073 /nfs/dbraw/zinc/68/20/73/1220682073.db2.gz ZFUOMSMDPILPEX-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001102525375 1220682076 /nfs/dbraw/zinc/68/20/76/1220682076.db2.gz ZFUOMSMDPILPEX-HZPDHXFCSA-N 2 1 364.490 0.922 20 0 FCADMP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578327 1220700806 /nfs/dbraw/zinc/70/08/06/1220700806.db2.gz WEGNFLMRWWOWPR-OWCLPIDISA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578327 1220700811 /nfs/dbraw/zinc/70/08/11/1220700811.db2.gz WEGNFLMRWWOWPR-OWCLPIDISA-N 2 1 367.538 0.720 20 0 FCADMP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578327 1220700813 /nfs/dbraw/zinc/70/08/13/1220700813.db2.gz WEGNFLMRWWOWPR-OWCLPIDISA-N 2 1 367.538 0.720 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102579355 1220701777 /nfs/dbraw/zinc/70/17/77/1220701777.db2.gz TYYFULQTCWAVGD-OIISXLGYSA-N 2 1 360.462 0.133 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102579355 1220701781 /nfs/dbraw/zinc/70/17/81/1220701781.db2.gz TYYFULQTCWAVGD-OIISXLGYSA-N 2 1 360.462 0.133 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C ZINC001102580343 1220702407 /nfs/dbraw/zinc/70/24/07/1220702407.db2.gz RQOOGQZDSHSURF-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1C ZINC001102580343 1220702412 /nfs/dbraw/zinc/70/24/12/1220702412.db2.gz RQOOGQZDSHSURF-GDBMZVCRSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598890 1220720669 /nfs/dbraw/zinc/72/06/69/1220720669.db2.gz FKFBBKYPXKWMRN-BZUAXINKSA-N 2 1 363.510 0.831 20 0 FCADMP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598890 1220720674 /nfs/dbraw/zinc/72/06/74/1220720674.db2.gz FKFBBKYPXKWMRN-BZUAXINKSA-N 2 1 363.510 0.831 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994297 1220817593 /nfs/dbraw/zinc/81/75/93/1220817593.db2.gz WMBRLPXMFVQPTK-KYJSFNMBSA-N 2 1 360.506 0.731 20 0 FCADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001102998148 1220818389 /nfs/dbraw/zinc/81/83/89/1220818389.db2.gz HJXAELAZGNTVBI-OWYHZJEWSA-N 2 1 367.534 0.800 20 0 FCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001103000150 1220818416 /nfs/dbraw/zinc/81/84/16/1220818416.db2.gz VKISDWOISYZXPR-RBSFLKMASA-N 2 1 364.494 0.006 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089800 1220830922 /nfs/dbraw/zinc/83/09/22/1220830922.db2.gz BKNLWYXNCPCDRO-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103089800 1220830923 /nfs/dbraw/zinc/83/09/23/1220830923.db2.gz BKNLWYXNCPCDRO-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103089800 1220830925 /nfs/dbraw/zinc/83/09/25/1220830925.db2.gz BKNLWYXNCPCDRO-HZPDHXFCSA-N 2 1 365.522 0.570 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089898 1220831302 /nfs/dbraw/zinc/83/13/02/1220831302.db2.gz FNYFVZPBYOOMEH-IIAWOOMASA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103089898 1220831303 /nfs/dbraw/zinc/83/13/03/1220831303.db2.gz FNYFVZPBYOOMEH-IIAWOOMASA-N 2 1 364.490 0.350 20 0 FCADMP C[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103089898 1220831305 /nfs/dbraw/zinc/83/13/05/1220831305.db2.gz FNYFVZPBYOOMEH-IIAWOOMASA-N 2 1 364.490 0.350 20 0 FCADMP CCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103139871 1220839485 /nfs/dbraw/zinc/83/94/85/1220839485.db2.gz BUCZWVYCQNOABZ-BZUAXINKSA-N 2 1 365.526 0.998 20 0 FCADMP CCCn1nnnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103139871 1220839487 /nfs/dbraw/zinc/83/94/87/1220839487.db2.gz BUCZWVYCQNOABZ-BZUAXINKSA-N 2 1 365.526 0.998 20 0 FCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001103233241 1220854724 /nfs/dbraw/zinc/85/47/24/1220854724.db2.gz FSTIJCBYBSTOFE-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001103233241 1220854725 /nfs/dbraw/zinc/85/47/25/1220854725.db2.gz FSTIJCBYBSTOFE-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103234394 1220854836 /nfs/dbraw/zinc/85/48/36/1220854836.db2.gz PNLMVCLLHWXGDQ-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103234394 1220854838 /nfs/dbraw/zinc/85/48/38/1220854838.db2.gz PNLMVCLLHWXGDQ-DJIMGWMZSA-N 2 1 361.490 0.887 20 0 FCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001103365257 1220871138 /nfs/dbraw/zinc/87/11/38/1220871138.db2.gz VUFHMHRIWUPRGZ-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001103365257 1220871141 /nfs/dbraw/zinc/87/11/41/1220871141.db2.gz VUFHMHRIWUPRGZ-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)C1 ZINC001103365257 1220871144 /nfs/dbraw/zinc/87/11/44/1220871144.db2.gz VUFHMHRIWUPRGZ-KZNAEPCWSA-N 2 1 371.522 0.179 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374266 1220872828 /nfs/dbraw/zinc/87/28/28/1220872828.db2.gz BONRLVSHUUAWOH-HZPDHXFCSA-N 2 1 365.522 0.428 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375035 1220873062 /nfs/dbraw/zinc/87/30/62/1220873062.db2.gz WBIOXTMXPJNREL-RBSFLKMASA-N 2 1 364.490 0.208 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436129 1220882515 /nfs/dbraw/zinc/88/25/15/1220882515.db2.gz LMBNLYLZYYBRMQ-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436129 1220882518 /nfs/dbraw/zinc/88/25/18/1220882518.db2.gz LMBNLYLZYYBRMQ-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)NCC[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001103436129 1220882520 /nfs/dbraw/zinc/88/25/20/1220882520.db2.gz LMBNLYLZYYBRMQ-RBSFLKMASA-N 2 1 364.494 0.024 20 0 FCADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001103443802 1220884629 /nfs/dbraw/zinc/88/46/29/1220884629.db2.gz MUWTVOULPSHPDQ-OAGGEKHMSA-N 2 1 366.506 0.550 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103533894 1220896830 /nfs/dbraw/zinc/89/68/30/1220896830.db2.gz HJYFUOYJOIUIHM-OIISXLGYSA-N 2 1 361.490 0.934 20 0 FCADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103533894 1220896835 /nfs/dbraw/zinc/89/68/35/1220896835.db2.gz HJYFUOYJOIUIHM-OIISXLGYSA-N 2 1 361.490 0.934 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642013 1220925768 /nfs/dbraw/zinc/92/57/68/1220925768.db2.gz MXHQJBVCJXSNGZ-IAGOWNOFSA-N 2 1 368.522 0.261 20 0 FCADMP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643456 1220926488 /nfs/dbraw/zinc/92/64/88/1220926488.db2.gz KVPATXYSTCCCFE-BRWVUGGUSA-N 2 1 370.538 0.683 20 0 FCADMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103647790 1220926876 /nfs/dbraw/zinc/92/68/76/1220926876.db2.gz DCDJFESLIKZRCO-BZUAXINKSA-N 2 1 364.490 0.843 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718755 1220950709 /nfs/dbraw/zinc/95/07/09/1220950709.db2.gz DDZHEDDZBJRCSB-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718755 1220950713 /nfs/dbraw/zinc/95/07/13/1220950713.db2.gz DDZHEDDZBJRCSB-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718755 1220950718 /nfs/dbraw/zinc/95/07/18/1220950718.db2.gz DDZHEDDZBJRCSB-ZACQAIPSSA-N 2 1 368.522 0.165 20 0 FCADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103755327 1220965456 /nfs/dbraw/zinc/96/54/56/1220965456.db2.gz CDAKHFAXHUJHOY-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103755327 1220965458 /nfs/dbraw/zinc/96/54/58/1220965458.db2.gz CDAKHFAXHUJHOY-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103755327 1220965462 /nfs/dbraw/zinc/96/54/62/1220965462.db2.gz CDAKHFAXHUJHOY-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001103755327 1220965466 /nfs/dbraw/zinc/96/54/66/1220965466.db2.gz CDAKHFAXHUJHOY-HUUCEWRRSA-N 2 1 363.510 0.922 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001104000135 1220996550 /nfs/dbraw/zinc/99/65/50/1220996550.db2.gz WSWWFVMKBDCWHS-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nc(N(C)C)no1 ZINC001104000135 1220996555 /nfs/dbraw/zinc/99/65/55/1220996555.db2.gz WSWWFVMKBDCWHS-KFWWJZLASA-N 2 1 364.494 0.804 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111498483 1221024349 /nfs/dbraw/zinc/02/43/49/1221024349.db2.gz YNIPTSYEXREPCX-ZACQAIPSSA-N 2 1 359.474 0.911 20 0 FCADMP O=C(CCCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111498483 1221024355 /nfs/dbraw/zinc/02/43/55/1221024355.db2.gz YNIPTSYEXREPCX-ZACQAIPSSA-N 2 1 359.474 0.911 20 0 FCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111836375 1221132960 /nfs/dbraw/zinc/13/29/60/1221132960.db2.gz XWVDQOOEMUHVSK-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCNC(=O)C1CC1)C2 ZINC001111836375 1221132962 /nfs/dbraw/zinc/13/29/62/1221132962.db2.gz XWVDQOOEMUHVSK-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111836375 1221132964 /nfs/dbraw/zinc/13/29/64/1221132964.db2.gz XWVDQOOEMUHVSK-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111836375 1221132966 /nfs/dbraw/zinc/13/29/66/1221132966.db2.gz XWVDQOOEMUHVSK-ZWOKBUDYSA-N 2 1 362.518 0.968 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001111857960 1221138418 /nfs/dbraw/zinc/13/84/18/1221138418.db2.gz HKRUBAXLTDTZBU-LPHOPBHVSA-N 2 1 366.506 0.158 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111886546 1221151461 /nfs/dbraw/zinc/15/14/61/1221151461.db2.gz JSDXJRBPPITFHU-LPHOPBHVSA-N 2 1 364.490 0.986 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111886546 1221151463 /nfs/dbraw/zinc/15/14/63/1221151463.db2.gz JSDXJRBPPITFHU-LPHOPBHVSA-N 2 1 364.490 0.986 20 0 FCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111907731 1221161023 /nfs/dbraw/zinc/16/10/23/1221161023.db2.gz IYISTTUZIQVFLI-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111907731 1221161025 /nfs/dbraw/zinc/16/10/25/1221161025.db2.gz IYISTTUZIQVFLI-LPHOPBHVSA-N 2 1 368.522 0.452 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001111907441 1221161111 /nfs/dbraw/zinc/16/11/11/1221161111.db2.gz AHYZZENWUMOFAH-LNLFQRSKSA-N 2 1 363.506 0.557 20 0 FCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938396 1221179831 /nfs/dbraw/zinc/17/98/31/1221179831.db2.gz ZFEJMWXVPWUWCP-JXFKEZNVSA-N 2 1 362.518 0.969 20 0 FCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938396 1221179832 /nfs/dbraw/zinc/17/98/32/1221179832.db2.gz ZFEJMWXVPWUWCP-JXFKEZNVSA-N 2 1 362.518 0.969 20 0 FCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939595 1221179955 /nfs/dbraw/zinc/17/99/55/1221179955.db2.gz IRJKTLAOIZZGEZ-FCEWJHQRSA-N 2 1 366.506 0.156 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983858 1221193724 /nfs/dbraw/zinc/19/37/24/1221193724.db2.gz SPXWYLNNNDVQDV-GJYPPUQNSA-N 2 1 365.522 0.616 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983858 1221193726 /nfs/dbraw/zinc/19/37/26/1221193726.db2.gz SPXWYLNNNDVQDV-GJYPPUQNSA-N 2 1 365.522 0.616 20 0 FCADMP CC(C)NC(=O)NCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983858 1221193729 /nfs/dbraw/zinc/19/37/29/1221193729.db2.gz SPXWYLNNNDVQDV-GJYPPUQNSA-N 2 1 365.522 0.616 20 0 FCADMP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112021426 1221202619 /nfs/dbraw/zinc/20/26/19/1221202619.db2.gz NDQYXTXCYNQWQC-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP CNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112021426 1221202623 /nfs/dbraw/zinc/20/26/23/1221202623.db2.gz NDQYXTXCYNQWQC-PXNSSMCTSA-N 2 1 358.486 0.835 20 0 FCADMP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2)C1CC1 ZINC001112285217 1221230284 /nfs/dbraw/zinc/23/02/84/1221230284.db2.gz PPCJKBBWBZSYFF-VPWXQRGCSA-N 2 1 362.518 0.920 20 0 FCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112396819 1221252146 /nfs/dbraw/zinc/25/21/46/1221252146.db2.gz GJDBEOYUDWTPGL-LNLFQRSKSA-N 2 1 363.506 0.414 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CCCCC2)O1 ZINC001115594235 1221317420 /nfs/dbraw/zinc/31/74/20/1221317420.db2.gz YZXSZNFWOWVGNW-HZPDHXFCSA-N 2 1 364.494 0.406 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]CCn3cncn3)CCCCC2)O1 ZINC001115594235 1221317425 /nfs/dbraw/zinc/31/74/25/1221317425.db2.gz YZXSZNFWOWVGNW-HZPDHXFCSA-N 2 1 364.494 0.406 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229837712 1226037428 /nfs/dbraw/zinc/03/74/28/1226037428.db2.gz OPPYSXUBRDYFSU-RBSFLKMASA-N 2 1 369.510 0.579 20 0 FCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001116478316 1221365751 /nfs/dbraw/zinc/36/57/51/1221365751.db2.gz ZIDUUUICRBQOKN-AWEZNQCLSA-N 2 1 362.478 0.546 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229853228 1226037346 /nfs/dbraw/zinc/03/73/46/1226037346.db2.gz PLBHGJLLZQAQNC-QZTJIDSGSA-N 2 1 370.538 0.888 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001117359112 1221530752 /nfs/dbraw/zinc/53/07/52/1221530752.db2.gz GKGUAKLXABDKEN-INMHGKMJSA-N 2 1 366.506 0.202 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001230215495 1226065430 /nfs/dbraw/zinc/06/54/30/1226065430.db2.gz PXNBJWDDZSVVTD-BRWVUGGUSA-N 2 1 366.506 0.345 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001230215495 1226065434 /nfs/dbraw/zinc/06/54/34/1226065434.db2.gz PXNBJWDDZSVVTD-BRWVUGGUSA-N 2 1 366.506 0.345 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118137405 1221717861 /nfs/dbraw/zinc/71/78/61/1221717861.db2.gz CFDHBWDIMMGHKG-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118137405 1221717868 /nfs/dbraw/zinc/71/78/68/1221717868.db2.gz CFDHBWDIMMGHKG-RTBURBONSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118222190 1221736649 /nfs/dbraw/zinc/73/66/49/1221736649.db2.gz RZOJZJLXSSBYDI-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118222190 1221736656 /nfs/dbraw/zinc/73/66/56/1221736656.db2.gz RZOJZJLXSSBYDI-RBUKOAKNSA-N 2 1 357.502 0.942 20 0 FCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC001118330745 1221761887 /nfs/dbraw/zinc/76/18/87/1221761887.db2.gz YDEUBOXHZMIHNH-BXWFABGCSA-N 2 1 366.506 0.191 20 0 FCADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001118571539 1221801888 /nfs/dbraw/zinc/80/18/88/1221801888.db2.gz DTPJMYNWMDPBMC-CVEARBPZSA-N 2 1 362.478 0.387 20 0 FCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001119068362 1221862360 /nfs/dbraw/zinc/86/23/60/1221862360.db2.gz XKLNOBTWTBTPAY-UCLAIMLFSA-N 2 1 371.485 0.443 20 0 FCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119356452 1221905459 /nfs/dbraw/zinc/90/54/59/1221905459.db2.gz HBCZECOCUNXMNE-OWLYRPNTSA-N 2 1 358.486 0.867 20 0 FCADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119376790 1221908856 /nfs/dbraw/zinc/90/88/56/1221908856.db2.gz CRLUNHDOEOVRFQ-IBGZPJMESA-N 2 1 374.529 0.975 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001119407234 1221912667 /nfs/dbraw/zinc/91/26/67/1221912667.db2.gz GUBDWTUIFBDHEC-KYJSFNMBSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001119407234 1221912671 /nfs/dbraw/zinc/91/26/71/1221912671.db2.gz GUBDWTUIFBDHEC-KYJSFNMBSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001119407236 1221912817 /nfs/dbraw/zinc/91/28/17/1221912817.db2.gz GUBDWTUIFBDHEC-ZVZYQTTQSA-N 2 1 374.485 0.767 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001119407236 1221912821 /nfs/dbraw/zinc/91/28/21/1221912821.db2.gz GUBDWTUIFBDHEC-ZVZYQTTQSA-N 2 1 374.485 0.767 20 0 FCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119482216 1221922793 /nfs/dbraw/zinc/92/27/93/1221922793.db2.gz FIORMZPBCQBIFC-OKZBNKHCSA-N 2 1 367.538 0.552 20 0 FCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001119482215 1221922897 /nfs/dbraw/zinc/92/28/97/1221922897.db2.gz FIORMZPBCQBIFC-KSZLIROESA-N 2 1 367.538 0.552 20 0 FCADMP C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001120676221 1222114795 /nfs/dbraw/zinc/11/47/95/1222114795.db2.gz VQOQWBHYUNYKHV-ZACQAIPSSA-N 2 1 365.522 0.761 20 0 FCADMP C[NH+]1CCN([C@H](C(=O)N2CCC3(CC2)C[NH2+]CCO3)c2ccccc2)CC1 ZINC001122235183 1222253646 /nfs/dbraw/zinc/25/36/46/1222253646.db2.gz ZBBLCCQBEIOHCA-IBGZPJMESA-N 2 1 372.513 0.956 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231701218 1226118425 /nfs/dbraw/zinc/11/84/25/1226118425.db2.gz NAYCQVMWSHTRBK-UHFFFAOYSA-N 2 1 362.434 0.568 20 0 FCADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231701218 1226118426 /nfs/dbraw/zinc/11/84/26/1226118426.db2.gz NAYCQVMWSHTRBK-UHFFFAOYSA-N 2 1 362.434 0.568 20 0 FCADMP C[NH+]1CCN(C(=O)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001124073875 1222379396 /nfs/dbraw/zinc/37/93/96/1222379396.db2.gz RNOOGNDXZGENOC-UHFFFAOYSA-N 2 1 358.486 0.789 20 0 FCADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H]3C2)cc1 ZINC001231767500 1226124598 /nfs/dbraw/zinc/12/45/98/1226124598.db2.gz IQRSVLDFWNCYDW-ROUUACIJSA-N 2 1 368.481 0.956 20 0 FCADMP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231773177 1226128450 /nfs/dbraw/zinc/12/84/50/1226128450.db2.gz ZZAWPYUNIZIUIK-IAGOWNOFSA-N 2 1 354.454 0.648 20 0 FCADMP COc1cnc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001231935354 1226134515 /nfs/dbraw/zinc/13/45/15/1226134515.db2.gz AUQNYWJIMCRSPD-UHFFFAOYSA-N 2 1 357.458 0.809 20 0 FCADMP COc1cnc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001231935354 1226134518 /nfs/dbraw/zinc/13/45/18/1226134518.db2.gz AUQNYWJIMCRSPD-UHFFFAOYSA-N 2 1 357.458 0.809 20 0 FCADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001203057475 1222606095 /nfs/dbraw/zinc/60/60/95/1222606095.db2.gz XURRIEVRZSVVIF-SJLPKXTDSA-N 2 1 363.506 0.648 20 0 FCADMP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000836317106 1222621668 /nfs/dbraw/zinc/62/16/68/1222621668.db2.gz CMZQXVPTTZVVJZ-ZBFHGGJFSA-N 2 1 367.494 0.637 20 0 FCADMP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000836317106 1222621671 /nfs/dbraw/zinc/62/16/71/1222621671.db2.gz CMZQXVPTTZVVJZ-ZBFHGGJFSA-N 2 1 367.494 0.637 20 0 FCADMP Cc1ncc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cn1 ZINC001203112115 1222712857 /nfs/dbraw/zinc/71/28/57/1222712857.db2.gz LFXXBRLDDRBTLR-UHFFFAOYSA-N 2 1 353.474 0.928 20 0 FCADMP Cc1ncc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cn1 ZINC001203112115 1222712864 /nfs/dbraw/zinc/71/28/64/1222712864.db2.gz LFXXBRLDDRBTLR-UHFFFAOYSA-N 2 1 353.474 0.928 20 0 FCADMP CNC(=O)[C@]12C[N@@H+](Cc3c[nH]c(C)n3)C[C@H]1N(c1ncccn1)CCC2 ZINC001232461337 1226153296 /nfs/dbraw/zinc/15/32/96/1226153296.db2.gz IMLYVGRYAADFMY-CRAIPNDOSA-N 2 1 355.446 0.725 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841071560 1222806976 /nfs/dbraw/zinc/80/69/76/1222806976.db2.gz PMGSGLWTPOWRCU-PBHICJAKSA-N 2 1 360.458 0.905 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000841275808 1222817605 /nfs/dbraw/zinc/81/76/05/1222817605.db2.gz JODVCUHAECOLNN-JSGCOSHPSA-N 2 1 356.430 0.958 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842231164 1222843307 /nfs/dbraw/zinc/84/33/07/1222843307.db2.gz OKBSEFWEMRGFQS-LJQANCHMSA-N 2 1 372.513 0.994 20 0 FCADMP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)C2=O ZINC000842476005 1222848060 /nfs/dbraw/zinc/84/80/60/1222848060.db2.gz DGGMCKLBYHPVJS-XYEKJYRLSA-N 2 1 365.478 0.496 20 0 FCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCCCCC[NH3+])C[C@@H](C)O1 ZINC000843266871 1222868634 /nfs/dbraw/zinc/86/86/34/1222868634.db2.gz PSAVGXCQRPLVHV-BRWVUGGUSA-N 2 1 368.522 0.722 20 0 FCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000843386259 1222874437 /nfs/dbraw/zinc/87/44/37/1222874437.db2.gz DVCFXBDSTMGDAF-SJORKVTESA-N 2 1 366.506 0.999 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+]([C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001151132797 1222916429 /nfs/dbraw/zinc/91/64/29/1222916429.db2.gz YCPUDQJEZWTFJW-OWCLPIDISA-N 2 1 368.522 0.578 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CC[NH+]([C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001151132797 1222916435 /nfs/dbraw/zinc/91/64/35/1222916435.db2.gz YCPUDQJEZWTFJW-OWCLPIDISA-N 2 1 368.522 0.578 20 0 FCADMP CC[N@H+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998142 1222997689 /nfs/dbraw/zinc/99/76/89/1222997689.db2.gz KNHPTPIRJLZLDV-BZUAXINKSA-N 2 1 371.526 0.240 20 0 FCADMP CC[N@@H+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998142 1222997696 /nfs/dbraw/zinc/99/76/96/1222997696.db2.gz KNHPTPIRJLZLDV-BZUAXINKSA-N 2 1 371.526 0.240 20 0 FCADMP CC[NH+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998142 1222997704 /nfs/dbraw/zinc/99/77/04/1222997704.db2.gz KNHPTPIRJLZLDV-BZUAXINKSA-N 2 1 371.526 0.240 20 0 FCADMP CC[NH+](CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998142 1222997716 /nfs/dbraw/zinc/99/77/16/1222997716.db2.gz KNHPTPIRJLZLDV-BZUAXINKSA-N 2 1 371.526 0.240 20 0 FCADMP COC(=O)c1ccc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc1C(=O)OC ZINC001155374121 1223033573 /nfs/dbraw/zinc/03/35/73/1223033573.db2.gz WUJOGRHZJKYEFL-ZDUSSCGKSA-N 2 1 362.430 0.514 20 0 FCADMP CN1c2cnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)nc2N2CCC[C@@H]2C1=O ZINC001155375478 1223033586 /nfs/dbraw/zinc/03/35/86/1223033586.db2.gz FGPWSSSAKGHXIP-HUUCEWRRSA-N 2 1 371.489 0.281 20 0 FCADMP COC(=O)C1CCN(c2cc[nH+]c(NC[C@]34C[NH2+]C[C@H]3COC4)n2)CC1 ZINC001155515695 1223037553 /nfs/dbraw/zinc/03/75/53/1223037553.db2.gz JDMNKLOIZOXHOC-KSSFIOAISA-N 2 1 361.446 0.514 20 0 FCADMP [NH3+]CCCC[C@H](NC(=O)[C@@H]1Cc2cc(O)ccc2C[NH2+]1)C(=O)N1CCCC1 ZINC001157371441 1223075567 /nfs/dbraw/zinc/07/55/67/1223075567.db2.gz UYZCTXJOTSGJDE-ROUUACIJSA-N 2 1 374.485 0.643 20 0 FCADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)n[nH]1 ZINC001157440393 1223076605 /nfs/dbraw/zinc/07/66/05/1223076605.db2.gz VIFMMAYPEXCIGR-ACJLOTCBSA-N 2 1 353.430 0.671 20 0 FCADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CC(N2CC(F)C2)C1 ZINC001157527314 1223078371 /nfs/dbraw/zinc/07/83/71/1223078371.db2.gz MBSXPLPJOVWZBV-SFHVURJKSA-N 2 1 358.461 0.573 20 0 FCADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1CC(N2CC(F)C2)C1 ZINC001157527314 1223078375 /nfs/dbraw/zinc/07/83/75/1223078375.db2.gz MBSXPLPJOVWZBV-SFHVURJKSA-N 2 1 358.461 0.573 20 0 FCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071048 1223087941 /nfs/dbraw/zinc/08/79/41/1223087941.db2.gz SMBRUCKYWXZOTK-LJQANCHMSA-N 2 1 372.513 0.832 20 0 FCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071048 1223087944 /nfs/dbraw/zinc/08/79/44/1223087944.db2.gz SMBRUCKYWXZOTK-LJQANCHMSA-N 2 1 372.513 0.832 20 0 FCADMP [NH3+]C1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001158070419 1223088089 /nfs/dbraw/zinc/08/80/89/1223088089.db2.gz HBMDBZMFXHYCCW-UHFFFAOYSA-N 2 1 372.513 0.961 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001158411316 1223096688 /nfs/dbraw/zinc/09/66/88/1223096688.db2.gz CAVKTEZMZOLZIH-UONOGXRCSA-N 2 1 369.510 0.437 20 0 FCADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158858603 1223111459 /nfs/dbraw/zinc/11/14/59/1223111459.db2.gz YZBJICYIEFWFPD-AUUYWEPGSA-N 3 1 360.506 0.334 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@H]3CCC[NH2+]C3)C2)C1 ZINC001159123309 1223118044 /nfs/dbraw/zinc/11/80/44/1223118044.db2.gz HJIQPOBEUUVOFI-APWZRJJASA-N 2 1 366.506 0.063 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@H]3CCC[NH2+]C3)C2)C1 ZINC001159123309 1223118045 /nfs/dbraw/zinc/11/80/45/1223118045.db2.gz HJIQPOBEUUVOFI-APWZRJJASA-N 2 1 366.506 0.063 20 0 FCADMP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)C1=O ZINC001159136519 1223118302 /nfs/dbraw/zinc/11/83/02/1223118302.db2.gz XIPZDJVGJGCRGI-OKZBNKHCSA-N 2 1 371.485 0.597 20 0 FCADMP O=C(N1CCc2ncc(CN3CCCC3)n2CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159160792 1223119580 /nfs/dbraw/zinc/11/95/80/1223119580.db2.gz RJQITLGMUPCOPJ-OXQOHEQNSA-N 2 1 372.517 0.063 20 0 FCADMP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291793 1223123469 /nfs/dbraw/zinc/12/34/69/1223123469.db2.gz TUINUSZLJIYRNT-SFHVURJKSA-N 2 1 370.497 0.617 20 0 FCADMP CO[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317902 1223124254 /nfs/dbraw/zinc/12/42/54/1223124254.db2.gz ZQUMTPIVARFPKC-INDMIFKZSA-N 2 1 374.485 0.508 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[NH2+]CCC[NH3+])CC[C@@H]21 ZINC001159533444 1223129394 /nfs/dbraw/zinc/12/93/94/1223129394.db2.gz GHUFONQTOMIJQI-SQNIBIBYSA-N 3 1 362.522 0.521 20 0 FCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CNCCC[NH3+])CC[C@@H]21 ZINC001159533444 1223129397 /nfs/dbraw/zinc/12/93/97/1223129397.db2.gz GHUFONQTOMIJQI-SQNIBIBYSA-N 2 1 362.522 0.521 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CNCCC[NH3+])CC[C@@H]21 ZINC001159533444 1223129400 /nfs/dbraw/zinc/12/94/00/1223129400.db2.gz GHUFONQTOMIJQI-SQNIBIBYSA-N 2 1 362.522 0.521 20 0 FCADMP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001159608182 1223131152 /nfs/dbraw/zinc/13/11/52/1223131152.db2.gz GLWILLDBMDHKOY-ZDUSSCGKSA-N 2 1 374.489 0.261 20 0 FCADMP O=C(C1CC2(C[NH2+]C2)C1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667769 1223132873 /nfs/dbraw/zinc/13/28/73/1223132873.db2.gz UXMGBROWSYVKOL-ZWKOTPCHSA-N 2 1 356.470 0.883 20 0 FCADMP N[C@]1(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CCC[NH2+]C1 ZINC001159854822 1223137948 /nfs/dbraw/zinc/13/79/48/1223137948.db2.gz GCDJHNLIGNTBSU-HHXXYDBFSA-N 2 1 362.449 0.571 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159854791 1223138246 /nfs/dbraw/zinc/13/82/46/1223138246.db2.gz FTPNUDUBHDNSIH-GJYSGUEQSA-N 2 1 374.460 0.440 20 0 FCADMP NC1(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856619 1223138328 /nfs/dbraw/zinc/13/83/28/1223138328.db2.gz VKPMCPZWYLMNEY-RDJZCZTQSA-N 3 1 362.449 0.571 20 0 FCADMP NC1(C(=O)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856619 1223138329 /nfs/dbraw/zinc/13/83/29/1223138329.db2.gz VKPMCPZWYLMNEY-RDJZCZTQSA-N 3 1 362.449 0.571 20 0 FCADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159854793 1223138358 /nfs/dbraw/zinc/13/83/58/1223138358.db2.gz FTPNUDUBHDNSIH-NQRYUEEHSA-N 2 1 374.460 0.440 20 0 FCADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159980038 1223141357 /nfs/dbraw/zinc/14/13/57/1223141357.db2.gz IEDFRYCIQYEKHJ-UHFFFAOYSA-N 2 1 357.462 0.202 20 0 FCADMP CC(=O)OC[C@H]([NH3+])C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127953 1223146392 /nfs/dbraw/zinc/14/63/92/1223146392.db2.gz GNOCWFUVYAQEBE-MPTYRVRUSA-N 2 1 362.430 0.072 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466460 1223160364 /nfs/dbraw/zinc/16/03/64/1223160364.db2.gz DIJVHXSYCIUMBC-HLLBOEOZSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466460 1223160367 /nfs/dbraw/zinc/16/03/67/1223160367.db2.gz DIJVHXSYCIUMBC-HLLBOEOZSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466460 1223160370 /nfs/dbraw/zinc/16/03/70/1223160370.db2.gz DIJVHXSYCIUMBC-HLLBOEOZSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466460 1223160373 /nfs/dbraw/zinc/16/03/73/1223160373.db2.gz DIJVHXSYCIUMBC-HLLBOEOZSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466459 1223160796 /nfs/dbraw/zinc/16/07/96/1223160796.db2.gz DIJVHXSYCIUMBC-BFYDXBDKSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466459 1223160799 /nfs/dbraw/zinc/16/07/99/1223160799.db2.gz DIJVHXSYCIUMBC-BFYDXBDKSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466459 1223160801 /nfs/dbraw/zinc/16/08/01/1223160801.db2.gz DIJVHXSYCIUMBC-BFYDXBDKSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@H](C(=O)N(C)C)[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466459 1223160804 /nfs/dbraw/zinc/16/08/04/1223160804.db2.gz DIJVHXSYCIUMBC-BFYDXBDKSA-N 2 1 366.506 0.321 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC001160479168 1223161535 /nfs/dbraw/zinc/16/15/35/1223161535.db2.gz RDLKMUCZOSJRAU-CRAIPNDOSA-N 2 1 361.490 0.778 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC001160479168 1223161537 /nfs/dbraw/zinc/16/15/37/1223161537.db2.gz RDLKMUCZOSJRAU-CRAIPNDOSA-N 2 1 361.490 0.778 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3cnn(C)c3)CC2)O1 ZINC001160479168 1223161540 /nfs/dbraw/zinc/16/15/40/1223161540.db2.gz RDLKMUCZOSJRAU-CRAIPNDOSA-N 2 1 361.490 0.778 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3cnn(C)c3)CC2)O1 ZINC001160479168 1223161542 /nfs/dbraw/zinc/16/15/42/1223161542.db2.gz RDLKMUCZOSJRAU-CRAIPNDOSA-N 2 1 361.490 0.778 20 0 FCADMP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489573 1223162664 /nfs/dbraw/zinc/16/26/64/1223162664.db2.gz DPENYTYKFAELMB-PMACEKPBSA-N 2 1 371.529 0.842 20 0 FCADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160711707 1223169642 /nfs/dbraw/zinc/16/96/42/1223169642.db2.gz TZHMPRPAICRIGE-GOSISDBHSA-N 2 1 373.501 0.812 20 0 FCADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160715246 1223169945 /nfs/dbraw/zinc/16/99/45/1223169945.db2.gz ZVHMDSTVUNQXSG-IBGZPJMESA-N 2 1 370.497 0.985 20 0 FCADMP FC(F)(F)[C@H]1C[NH2+]CC[C@@H]1Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001160742987 1223170518 /nfs/dbraw/zinc/17/05/18/1223170518.db2.gz KYCYXJTUCLVCAG-RYUDHWBXSA-N 2 1 372.395 0.869 20 0 FCADMP COc1ccc(OCC[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001160857102 1223178318 /nfs/dbraw/zinc/17/83/18/1223178318.db2.gz DMUJZJQAUNPWRT-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP COc1ccc(OCC[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001160857102 1223178320 /nfs/dbraw/zinc/17/83/20/1223178320.db2.gz DMUJZJQAUNPWRT-CRAIPNDOSA-N 2 1 365.474 0.889 20 0 FCADMP C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196379 1223188388 /nfs/dbraw/zinc/18/83/88/1223188388.db2.gz FKYXUMWZYYLXJE-MJGOQNOKSA-N 3 1 366.550 0.925 20 0 FCADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC001161380199 1223197855 /nfs/dbraw/zinc/19/78/55/1223197855.db2.gz JOSYMPWFLWOCLC-LJQANCHMSA-N 3 1 357.502 0.734 20 0 FCADMP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC001161423465 1223198839 /nfs/dbraw/zinc/19/88/39/1223198839.db2.gz AXCVYUAPZCOZCO-BZSNNMDCSA-N 2 1 356.470 0.382 20 0 FCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510338 1223202724 /nfs/dbraw/zinc/20/27/24/1223202724.db2.gz NOKRXSBNDGKIRP-BBWFWOEESA-N 2 1 373.453 0.094 20 0 FCADMP C[C@@H](O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001162841589 1223220561 /nfs/dbraw/zinc/22/05/61/1223220561.db2.gz ZTGUZOOMRBKBKI-ZHALLVOQSA-N 2 1 363.502 0.747 20 0 FCADMP C[C@@H](O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001162841589 1223220563 /nfs/dbraw/zinc/22/05/63/1223220563.db2.gz ZTGUZOOMRBKBKI-ZHALLVOQSA-N 2 1 363.502 0.747 20 0 FCADMP CCOC(=O)Cn1ccc2c1nc[nH+]c2NCc1nnn2c1C[NH2+]CCC2 ZINC001162973163 1223222864 /nfs/dbraw/zinc/22/28/64/1223222864.db2.gz FDTQQVFDUFRNGR-UHFFFAOYSA-N 2 1 370.417 0.691 20 0 FCADMP O=c1cc(CNc2cccc(N3CC[NH2+]CC3)c2)nc2n1CCC[NH2+]C2 ZINC001163120564 1223226676 /nfs/dbraw/zinc/22/66/76/1223226676.db2.gz PLLWOVPPGGDODU-UHFFFAOYSA-N 2 1 354.458 0.758 20 0 FCADMP C[NH+](C)C1(CNc2cncc(CN3CCOCC3=O)c2)CC[NH+](C)CC1 ZINC001164216487 1223236215 /nfs/dbraw/zinc/23/62/15/1223236215.db2.gz DLYOAVQDHVAJDF-UHFFFAOYSA-N 2 1 361.490 0.878 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001164582954 1223240313 /nfs/dbraw/zinc/24/03/13/1223240313.db2.gz PQERWMJFALKULD-MELADBBJSA-N 2 1 367.494 0.176 20 0 FCADMP [NH3+]C1CCN(c2cccc(N3CCN(CC(=O)N4CCCC4)CC3)[nH+]2)CC1 ZINC001165057633 1223241350 /nfs/dbraw/zinc/24/13/50/1223241350.db2.gz AUOOWZCHMBFWLM-UHFFFAOYSA-N 2 1 372.517 0.754 20 0 FCADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H](N4CCOCC4)[C@@H](F)C3)n2)CC1 ZINC001165212671 1223243591 /nfs/dbraw/zinc/24/35/91/1223243591.db2.gz VDEURNMVSKHSQD-HOTGVXAUSA-N 2 1 364.469 0.653 20 0 FCADMP COC[C@@H]1CN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)Cc2cn(C)nc21 ZINC001165610505 1223251154 /nfs/dbraw/zinc/25/11/54/1223251154.db2.gz ZKIOMNGRBYXYDU-AWEZNQCLSA-N 2 1 357.462 0.888 20 0 FCADMP COc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001165727515 1223254533 /nfs/dbraw/zinc/25/45/33/1223254533.db2.gz BZVBQDHGBZCIGS-UKRRQHHQSA-N 2 1 366.462 0.778 20 0 FCADMP COc1cc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001165727515 1223254535 /nfs/dbraw/zinc/25/45/35/1223254535.db2.gz BZVBQDHGBZCIGS-UKRRQHHQSA-N 2 1 366.462 0.778 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001165728715 1223255619 /nfs/dbraw/zinc/25/56/19/1223255619.db2.gz RFDKDCKUEOVMQE-QLFBSQMISA-N 2 1 364.494 0.471 20 0 FCADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1nncn1C ZINC001165728715 1223255620 /nfs/dbraw/zinc/25/56/20/1223255620.db2.gz RFDKDCKUEOVMQE-QLFBSQMISA-N 2 1 364.494 0.471 20 0 FCADMP c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncnc3c2C[NH2+]C3)nc1 ZINC001165801969 1223256974 /nfs/dbraw/zinc/25/69/74/1223256974.db2.gz ZWZDMEUZPZSXEZ-HEHGZKQESA-N 2 1 353.430 0.632 20 0 FCADMP c1cnn(Cc2c[nH+]c3n2CCN(c2cc(C4C[NH2+]C4)ncn2)CC3)c1 ZINC001165969742 1223263933 /nfs/dbraw/zinc/26/39/33/1223263933.db2.gz DVLXELJKGWFUSR-UHFFFAOYSA-N 2 1 350.430 0.667 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001205211270 1223316726 /nfs/dbraw/zinc/31/67/26/1223316726.db2.gz DFDWYEQJTMFEIQ-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CCC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205211270 1223316729 /nfs/dbraw/zinc/31/67/29/1223316729.db2.gz DFDWYEQJTMFEIQ-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP CCC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205211270 1223316730 /nfs/dbraw/zinc/31/67/30/1223316730.db2.gz DFDWYEQJTMFEIQ-RTBURBONSA-N 2 1 363.502 0.785 20 0 FCADMP COCCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205335183 1223320208 /nfs/dbraw/zinc/32/02/08/1223320208.db2.gz VJOYADSCGRQJAL-NVXWUHKLSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC001205334969 1223320247 /nfs/dbraw/zinc/32/02/47/1223320247.db2.gz UJMCQWAICKMYIK-NVXWUHKLSA-N 2 1 366.506 0.014 20 0 FCADMP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1OCCN1CCOCC1 ZINC001206519578 1223360694 /nfs/dbraw/zinc/36/06/94/1223360694.db2.gz NGZHKCQEJJXKGW-IRXDYDNUSA-N 2 1 365.474 0.158 20 0 FCADMP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1OCCN1CCOCC1 ZINC001206519578 1223360698 /nfs/dbraw/zinc/36/06/98/1223360698.db2.gz NGZHKCQEJJXKGW-IRXDYDNUSA-N 2 1 365.474 0.158 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000977922657 1248675761 /nfs/dbraw/zinc/67/57/61/1248675761.db2.gz GWKQVHPHZIRSSG-BZUAXINKSA-N 2 1 366.506 0.249 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2([NH+](C)C)CCC2)O1 ZINC000977922657 1248675772 /nfs/dbraw/zinc/67/57/72/1248675772.db2.gz GWKQVHPHZIRSSG-BZUAXINKSA-N 2 1 366.506 0.249 20 0 FCADMP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955146 1223394604 /nfs/dbraw/zinc/39/46/04/1223394604.db2.gz LTBFXJKWCSKWSF-NXHRZFHOSA-N 2 1 368.522 0.448 20 0 FCADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955146 1223394609 /nfs/dbraw/zinc/39/46/09/1223394609.db2.gz LTBFXJKWCSKWSF-NXHRZFHOSA-N 2 1 368.522 0.448 20 0 FCADMP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955146 1223394613 /nfs/dbraw/zinc/39/46/13/1223394613.db2.gz LTBFXJKWCSKWSF-NXHRZFHOSA-N 2 1 368.522 0.448 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980307 1223400599 /nfs/dbraw/zinc/40/05/99/1223400599.db2.gz UDXDGYUTJUHGTC-HYVNUMGLSA-N 2 1 365.522 0.472 20 0 FCADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC1 ZINC001207397941 1223442989 /nfs/dbraw/zinc/44/29/89/1223442989.db2.gz VUYMJLPDDMBTTI-GBESFXJTSA-N 2 1 373.501 0.885 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207547137 1223454420 /nfs/dbraw/zinc/45/44/20/1223454420.db2.gz MENQZUHWNDCSGF-MZMPZRCHSA-N 2 1 366.506 0.058 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207547137 1223454424 /nfs/dbraw/zinc/45/44/24/1223454424.db2.gz MENQZUHWNDCSGF-MZMPZRCHSA-N 2 1 366.506 0.058 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001208070299 1223513243 /nfs/dbraw/zinc/51/32/43/1223513243.db2.gz IQWIIFXAEKWSKL-RBSFLKMASA-N 2 1 363.462 0.842 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001208070298 1223513463 /nfs/dbraw/zinc/51/34/63/1223513463.db2.gz IQWIIFXAEKWSKL-QLFBSQMISA-N 2 1 363.462 0.842 20 0 FCADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001208110928 1223516713 /nfs/dbraw/zinc/51/67/13/1223516713.db2.gz YSPLJVMHQPWDMG-OKZBNKHCSA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208164439 1223520184 /nfs/dbraw/zinc/52/01/84/1223520184.db2.gz QGUNZSUYQDETIS-KFWWJZLASA-N 2 1 364.490 0.493 20 0 FCADMP C[NH+](C)CCN1C[C@@]2(F)CN(Cc3[nH+]cn4ccccc34)C[C@@]2(F)C1=O ZINC001276560014 1223520713 /nfs/dbraw/zinc/52/07/13/1223520713.db2.gz RQPZRFGYUQYTIZ-ZWKOTPCHSA-N 2 1 363.412 0.970 20 0 FCADMP Cc1noc(CCC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001208410737 1223540989 /nfs/dbraw/zinc/54/09/89/1223540989.db2.gz DBYXNMOJQYCORB-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP Cc1noc(CCC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001208410737 1223540994 /nfs/dbraw/zinc/54/09/94/1223540994.db2.gz DBYXNMOJQYCORB-VNQPRFMTSA-N 2 1 365.478 0.610 20 0 FCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435014 1223544892 /nfs/dbraw/zinc/54/48/92/1223544892.db2.gz NUFQBNFPEGZMGX-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435014 1223544896 /nfs/dbraw/zinc/54/48/96/1223544896.db2.gz NUFQBNFPEGZMGX-OIISXLGYSA-N 2 1 362.518 0.918 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434811 1223545381 /nfs/dbraw/zinc/54/53/81/1223545381.db2.gz CSVGZPVNKNAUTQ-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434811 1223545385 /nfs/dbraw/zinc/54/53/85/1223545385.db2.gz CSVGZPVNKNAUTQ-OWCLPIDISA-N 2 1 366.506 0.012 20 0 FCADMP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612185 1223563613 /nfs/dbraw/zinc/56/36/13/1223563613.db2.gz GJHHAKTZHWLIOK-RTBURBONSA-N 2 1 360.550 0.904 20 0 FCADMP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208627761 1223565047 /nfs/dbraw/zinc/56/50/47/1223565047.db2.gz AALHSEYLNFCGCU-UWWQBHOKSA-N 2 1 364.490 0.853 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208627761 1223565053 /nfs/dbraw/zinc/56/50/53/1223565053.db2.gz AALHSEYLNFCGCU-UWWQBHOKSA-N 2 1 364.490 0.853 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706660 1223571148 /nfs/dbraw/zinc/57/11/48/1223571148.db2.gz BQKRBWVWGPCZQT-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706660 1223571152 /nfs/dbraw/zinc/57/11/52/1223571152.db2.gz BQKRBWVWGPCZQT-SOLBZPMBSA-N 2 1 363.506 0.858 20 0 FCADMP CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142915 1223600737 /nfs/dbraw/zinc/60/07/37/1223600737.db2.gz YDEIWZKBYFBITI-KFWWJZLASA-N 2 1 367.494 0.141 20 0 FCADMP CN1CCN(Cc2cn3c(n2)CN(CC2COC(C)(C)OC2)CC3)CC1 ZINC001209195495 1223602694 /nfs/dbraw/zinc/60/26/94/1223602694.db2.gz FIVXCISHKFSYKO-UHFFFAOYSA-N 2 1 363.506 0.845 20 0 FCADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CC1 ZINC001209272351 1223605688 /nfs/dbraw/zinc/60/56/88/1223605688.db2.gz GRVZBVZHSCOEPS-OWCLPIDISA-N 2 1 365.474 0.802 20 0 FCADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001276630373 1223609185 /nfs/dbraw/zinc/60/91/85/1223609185.db2.gz QDZFWKZBVVVWIF-HXUWFJFHSA-N 2 1 365.566 0.643 20 0 FCADMP CN1CCN(CCC[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001276630373 1223609187 /nfs/dbraw/zinc/60/91/87/1223609187.db2.gz QDZFWKZBVVVWIF-HXUWFJFHSA-N 2 1 365.566 0.643 20 0 FCADMP CN1CCN(CCC[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001276630373 1223609190 /nfs/dbraw/zinc/60/91/90/1223609190.db2.gz QDZFWKZBVVVWIF-HXUWFJFHSA-N 2 1 365.566 0.643 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](CCCC2OCCO2)CC3)CC1 ZINC001209306033 1223610172 /nfs/dbraw/zinc/61/01/72/1223610172.db2.gz KIYHKPRQMPMAQG-UHFFFAOYSA-N 2 1 361.490 0.782 20 0 FCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](CCCC2OCCO2)CC3)CC1 ZINC001209306033 1223610173 /nfs/dbraw/zinc/61/01/73/1223610173.db2.gz KIYHKPRQMPMAQG-UHFFFAOYSA-N 2 1 361.490 0.782 20 0 FCADMP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209488721 1223624221 /nfs/dbraw/zinc/62/42/21/1223624221.db2.gz PUZGDOVEVOBBMT-IAGOWNOFSA-N 2 1 364.494 0.217 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209488721 1223624225 /nfs/dbraw/zinc/62/42/25/1223624225.db2.gz PUZGDOVEVOBBMT-IAGOWNOFSA-N 2 1 364.494 0.217 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001209565564 1223632247 /nfs/dbraw/zinc/63/22/47/1223632247.db2.gz BNXMKONLOSNFLP-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001209565564 1223632250 /nfs/dbraw/zinc/63/22/50/1223632250.db2.gz BNXMKONLOSNFLP-IAGOWNOFSA-N 2 1 367.538 0.960 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001209642876 1223636268 /nfs/dbraw/zinc/63/62/68/1223636268.db2.gz RGQAMMLBCNODAG-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001209642876 1223636271 /nfs/dbraw/zinc/63/62/71/1223636271.db2.gz RGQAMMLBCNODAG-IAGOWNOFSA-N 2 1 370.538 0.696 20 0 FCADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001209730707 1223644374 /nfs/dbraw/zinc/64/43/74/1223644374.db2.gz NQTYBIANEJILHR-NUJGCVRESA-N 2 1 360.458 0.580 20 0 FCADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001209730707 1223644375 /nfs/dbraw/zinc/64/43/75/1223644375.db2.gz NQTYBIANEJILHR-NUJGCVRESA-N 2 1 360.458 0.580 20 0 FCADMP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001209730713 1223644537 /nfs/dbraw/zinc/64/45/37/1223644537.db2.gz NVMXXMFDMUSCFT-HNNXBMFYSA-N 2 1 360.458 0.724 20 0 FCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210298710 1223681352 /nfs/dbraw/zinc/68/13/52/1223681352.db2.gz RKNLNEFIKKVNIN-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210298710 1223681355 /nfs/dbraw/zinc/68/13/55/1223681355.db2.gz RKNLNEFIKKVNIN-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210298710 1223681357 /nfs/dbraw/zinc/68/13/57/1223681357.db2.gz RKNLNEFIKKVNIN-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210298710 1223681358 /nfs/dbraw/zinc/68/13/58/1223681358.db2.gz RKNLNEFIKKVNIN-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297439 1223681416 /nfs/dbraw/zinc/68/14/16/1223681416.db2.gz FYEIFNOCPLDTBZ-OLMNPRSZSA-N 2 1 367.465 0.874 20 0 FCADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298142 1223681693 /nfs/dbraw/zinc/68/16/93/1223681693.db2.gz LLOMWIZGZHYHKY-BFYDXBDKSA-N 2 1 370.538 0.694 20 0 FCADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298142 1223681695 /nfs/dbraw/zinc/68/16/95/1223681695.db2.gz LLOMWIZGZHYHKY-BFYDXBDKSA-N 2 1 370.538 0.694 20 0 FCADMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538572 1223696320 /nfs/dbraw/zinc/69/63/20/1223696320.db2.gz FSUXEGZUZBCEKF-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538572 1223696326 /nfs/dbraw/zinc/69/63/26/1223696326.db2.gz FSUXEGZUZBCEKF-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538572 1223696329 /nfs/dbraw/zinc/69/63/29/1223696329.db2.gz FSUXEGZUZBCEKF-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001210538572 1223696336 /nfs/dbraw/zinc/69/63/36/1223696336.db2.gz FSUXEGZUZBCEKF-UMVBOHGHSA-N 2 1 367.494 0.141 20 0 FCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001211045928 1223721725 /nfs/dbraw/zinc/72/17/25/1223721725.db2.gz FENFEDFRPRQCLI-SOLBZPMBSA-N 2 1 363.506 0.367 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211326201 1223734982 /nfs/dbraw/zinc/73/49/82/1223734982.db2.gz DWZZXFASQHRVPD-FGTMMUONSA-N 2 1 363.506 0.557 20 0 FCADMP COCCOCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221854 1223771486 /nfs/dbraw/zinc/77/14/86/1223771486.db2.gz SKFNIQCKODPNDQ-IAGOWNOFSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378124 1223792584 /nfs/dbraw/zinc/79/25/84/1223792584.db2.gz DTRQSQCWJOJQSX-HDMKZQKVSA-N 2 1 363.458 0.594 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378124 1223792587 /nfs/dbraw/zinc/79/25/87/1223792587.db2.gz DTRQSQCWJOJQSX-HDMKZQKVSA-N 2 1 363.458 0.594 20 0 FCADMP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446900 1223799975 /nfs/dbraw/zinc/79/99/75/1223799975.db2.gz YPILMUSVJARGIZ-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446900 1223799978 /nfs/dbraw/zinc/79/99/78/1223799978.db2.gz YPILMUSVJARGIZ-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446900 1223799981 /nfs/dbraw/zinc/79/99/81/1223799981.db2.gz YPILMUSVJARGIZ-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446900 1223799982 /nfs/dbraw/zinc/79/99/82/1223799982.db2.gz YPILMUSVJARGIZ-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446191 1223800236 /nfs/dbraw/zinc/80/02/36/1223800236.db2.gz DCYZXECMWVEUBA-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446191 1223800237 /nfs/dbraw/zinc/80/02/37/1223800237.db2.gz DCYZXECMWVEUBA-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446191 1223800238 /nfs/dbraw/zinc/80/02/38/1223800238.db2.gz DCYZXECMWVEUBA-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446191 1223800240 /nfs/dbraw/zinc/80/02/40/1223800240.db2.gz DCYZXECMWVEUBA-HZPDHXFCSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1=O ZINC001276702251 1223804605 /nfs/dbraw/zinc/80/46/05/1223804605.db2.gz ZFXJXIBKVYZHBS-SFHVURJKSA-N 2 1 362.430 0.676 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676013 1223831025 /nfs/dbraw/zinc/83/10/25/1223831025.db2.gz LJJNRKXZKFZNPR-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676013 1223831026 /nfs/dbraw/zinc/83/10/26/1223831026.db2.gz LJJNRKXZKFZNPR-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001213676013 1223831027 /nfs/dbraw/zinc/83/10/27/1223831027.db2.gz LJJNRKXZKFZNPR-GUDVDZBRSA-N 2 1 363.502 0.747 20 0 FCADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213678450 1223832072 /nfs/dbraw/zinc/83/20/72/1223832072.db2.gz XELAGXLKNRMMNI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213678450 1223832073 /nfs/dbraw/zinc/83/20/73/1223832073.db2.gz XELAGXLKNRMMNI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213678450 1223832075 /nfs/dbraw/zinc/83/20/75/1223832075.db2.gz XELAGXLKNRMMNI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001213678450 1223832079 /nfs/dbraw/zinc/83/20/79/1223832079.db2.gz XELAGXLKNRMMNI-IAGOWNOFSA-N 2 1 361.446 0.880 20 0 FCADMP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747696 1223843038 /nfs/dbraw/zinc/84/30/38/1223843038.db2.gz OLXOOHGBLHXLNE-RCCFBDPRSA-N 2 1 371.522 0.729 20 0 FCADMP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753865 1223844103 /nfs/dbraw/zinc/84/41/03/1223844103.db2.gz NVNBHMYHUAQNEB-IAGOWNOFSA-N 2 1 366.510 0.442 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753865 1223844104 /nfs/dbraw/zinc/84/41/04/1223844104.db2.gz NVNBHMYHUAQNEB-IAGOWNOFSA-N 2 1 366.510 0.442 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754116 1223844221 /nfs/dbraw/zinc/84/42/21/1223844221.db2.gz UJRWBFIDUOCJFH-ARFHVFGLSA-N 2 1 364.494 0.313 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764911 1223846186 /nfs/dbraw/zinc/84/61/86/1223846186.db2.gz KNBDSOOOBPQOHA-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764911 1223846187 /nfs/dbraw/zinc/84/61/87/1223846187.db2.gz KNBDSOOOBPQOHA-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213764911 1223846189 /nfs/dbraw/zinc/84/61/89/1223846189.db2.gz KNBDSOOOBPQOHA-GVDBMIGSSA-N 2 1 368.522 0.450 20 0 FCADMP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@H](OC)C1)C1CCC1 ZINC001213802192 1223852112 /nfs/dbraw/zinc/85/21/12/1223852112.db2.gz NNKOKVAVOOQJMY-KZNAEPCWSA-N 2 1 364.490 0.983 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001214338552 1223901923 /nfs/dbraw/zinc/90/19/23/1223901923.db2.gz SPKYFOXVXISGBK-KBRIMQKVSA-N 2 1 360.458 0.861 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCCCCn1cncn1 ZINC001214389325 1223906530 /nfs/dbraw/zinc/90/65/30/1223906530.db2.gz VUIBPBZJZCJFFG-ZACQAIPSSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCCCCn1cncn1 ZINC001214389325 1223906532 /nfs/dbraw/zinc/90/65/32/1223906532.db2.gz VUIBPBZJZCJFFG-ZACQAIPSSA-N 2 1 364.494 0.216 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214388653 1223906575 /nfs/dbraw/zinc/90/65/75/1223906575.db2.gz GDLRVXBDPJPQFP-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214388653 1223906576 /nfs/dbraw/zinc/90/65/76/1223906576.db2.gz GDLRVXBDPJPQFP-OIISXLGYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214861405 1223949153 /nfs/dbraw/zinc/94/91/53/1223949153.db2.gz SVAREPXQSLVHAU-RHSMWYFYSA-N 2 1 366.506 0.202 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215184395 1223980867 /nfs/dbraw/zinc/98/08/67/1223980867.db2.gz BRUKSHXXCPOLPE-LOFRJYDISA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1NCC(=O)Nc1ccon1 ZINC001215199915 1223981787 /nfs/dbraw/zinc/98/17/87/1223981787.db2.gz LHQDMBTUHIINPR-CHWSQXEVSA-N 2 1 360.418 0.416 20 0 FCADMP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978183311 1248718588 /nfs/dbraw/zinc/71/85/88/1248718588.db2.gz UQTSJPGYCNLKMU-QQXKLLMISA-N 2 1 365.518 0.674 20 0 FCADMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001215938474 1224025944 /nfs/dbraw/zinc/02/59/44/1224025944.db2.gz BGJGAAJWFUOHPJ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001216002530 1224029432 /nfs/dbraw/zinc/02/94/32/1224029432.db2.gz UFJRHILMJYFDNG-NVXWUHKLSA-N 2 1 371.489 0.941 20 0 FCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216082250 1224033701 /nfs/dbraw/zinc/03/37/01/1224033701.db2.gz XKPHVJHWCBPHAW-RHSMWYFYSA-N 2 1 370.457 0.842 20 0 FCADMP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401314 1224048576 /nfs/dbraw/zinc/04/85/76/1224048576.db2.gz JPSWAHVWISKJKN-HZPDHXFCSA-N 2 1 366.510 0.449 20 0 FCADMP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853781 1224079042 /nfs/dbraw/zinc/07/90/42/1224079042.db2.gz LYMJEEHENUCBBX-BRWVUGGUSA-N 2 1 370.538 0.694 20 0 FCADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216851937 1224079331 /nfs/dbraw/zinc/07/93/31/1224079331.db2.gz LQRWOUVOQREALD-HUUCEWRRSA-N 2 1 369.510 0.245 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216988635 1224083275 /nfs/dbraw/zinc/08/32/75/1224083275.db2.gz VRAVNLHHPUGWMB-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216988635 1224083279 /nfs/dbraw/zinc/08/32/79/1224083279.db2.gz VRAVNLHHPUGWMB-CRAIPNDOSA-N 2 1 358.486 0.834 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000985441552 1248923865 /nfs/dbraw/zinc/92/38/65/1248923865.db2.gz KEBBGXXEJJWDJD-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC000985441552 1248923873 /nfs/dbraw/zinc/92/38/73/1248923873.db2.gz KEBBGXXEJJWDJD-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC000985441552 1248923878 /nfs/dbraw/zinc/92/38/78/1248923878.db2.gz KEBBGXXEJJWDJD-NVXWUHKLSA-N 2 1 366.506 0.108 20 0 FCADMP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000824131761 1245322287 /nfs/dbraw/zinc/32/22/87/1245322287.db2.gz XXMWBBAEDUVFMI-IPMKNSEASA-N 2 1 371.481 0.996 20 0 FCADMP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000824131761 1245322291 /nfs/dbraw/zinc/32/22/91/1245322291.db2.gz XXMWBBAEDUVFMI-IPMKNSEASA-N 2 1 371.481 0.996 20 0 FCADMP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000824131761 1245322294 /nfs/dbraw/zinc/32/22/94/1245322294.db2.gz XXMWBBAEDUVFMI-IPMKNSEASA-N 2 1 371.481 0.996 20 0 FCADMP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000824131761 1245322297 /nfs/dbraw/zinc/32/22/97/1245322297.db2.gz XXMWBBAEDUVFMI-IPMKNSEASA-N 2 1 371.481 0.996 20 0 FCADMP CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000849108406 1245392713 /nfs/dbraw/zinc/39/27/13/1245392713.db2.gz RNFPAWXTXIUOOA-UHFFFAOYSA-N 2 1 368.526 0.747 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891538399 1245453057 /nfs/dbraw/zinc/45/30/57/1245453057.db2.gz XQXXMPQRIRADPN-GOSISDBHSA-N 2 1 373.501 0.553 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538721 1245453374 /nfs/dbraw/zinc/45/33/74/1245453374.db2.gz SGIMWHCLOKBRFE-FPCVCCKLSA-N 2 1 365.478 0.437 20 0 FCADMP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000897419897 1245471754 /nfs/dbraw/zinc/47/17/54/1245471754.db2.gz HVOUSRAPOKWJFY-MRXNPFEDSA-N 2 1 366.506 0.299 20 0 FCADMP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000897419897 1245471759 /nfs/dbraw/zinc/47/17/59/1245471759.db2.gz HVOUSRAPOKWJFY-MRXNPFEDSA-N 2 1 366.506 0.299 20 0 FCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911515763 1245503237 /nfs/dbraw/zinc/50/32/37/1245503237.db2.gz GNHHPEQVSFKUJT-CYGHRXIMSA-N 2 1 356.470 0.813 20 0 FCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC[C@H]21 ZINC000911517265 1245504375 /nfs/dbraw/zinc/50/43/75/1245504375.db2.gz QZIANCLOUSRWMT-VDHUWJSZSA-N 2 1 356.470 0.670 20 0 FCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564332 1245515314 /nfs/dbraw/zinc/51/53/14/1245515314.db2.gz SVQMUAGYGZKOQL-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564332 1245515319 /nfs/dbraw/zinc/51/53/19/1245515319.db2.gz SVQMUAGYGZKOQL-MRXNPFEDSA-N 2 1 367.538 0.119 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CCO[C@H](C)C1)C2 ZINC000915830296 1245530510 /nfs/dbraw/zinc/53/05/10/1245530510.db2.gz SWUZXJZINPRDTH-RXYDEIHYSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000994104446 1250195282 /nfs/dbraw/zinc/19/52/82/1250195282.db2.gz RFCGEMMCJYSTOT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC000994104446 1250195289 /nfs/dbraw/zinc/19/52/89/1250195289.db2.gz RFCGEMMCJYSTOT-BRWVUGGUSA-N 2 1 366.506 0.014 20 0 FCADMP CCN1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919118956 1245595887 /nfs/dbraw/zinc/59/58/87/1245595887.db2.gz MZGHMHNNNOANTR-RXYDEIHYSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919118956 1245595893 /nfs/dbraw/zinc/59/58/93/1245595893.db2.gz MZGHMHNNNOANTR-RXYDEIHYSA-N 2 1 368.522 0.486 20 0 FCADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[NH+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919118956 1245595903 /nfs/dbraw/zinc/59/59/03/1245595903.db2.gz MZGHMHNNNOANTR-RXYDEIHYSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919118956 1245595911 /nfs/dbraw/zinc/59/59/11/1245595911.db2.gz MZGHMHNNNOANTR-RXYDEIHYSA-N 2 1 368.522 0.486 20 0 FCADMP CC[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919118956 1245595920 /nfs/dbraw/zinc/59/59/20/1245595920.db2.gz MZGHMHNNNOANTR-RXYDEIHYSA-N 2 1 368.522 0.486 20 0 FCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000919517001 1245606846 /nfs/dbraw/zinc/60/68/46/1245606846.db2.gz FVKJTUKLGVLTHS-IAGOWNOFSA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000919517001 1245606853 /nfs/dbraw/zinc/60/68/53/1245606853.db2.gz FVKJTUKLGVLTHS-IAGOWNOFSA-N 2 1 367.538 0.946 20 0 FCADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000919517001 1245606861 /nfs/dbraw/zinc/60/68/61/1245606861.db2.gz FVKJTUKLGVLTHS-IAGOWNOFSA-N 2 1 367.538 0.946 20 0 FCADMP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000923282239 1245705275 /nfs/dbraw/zinc/70/52/75/1245705275.db2.gz UGRNZYXWFJBWOS-JKSUJKDBSA-N 2 1 365.474 0.612 20 0 FCADMP O=C(COc1ccc(F)cc1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923304547 1245706736 /nfs/dbraw/zinc/70/67/36/1245706736.db2.gz BMSSNTPCBRFUIM-QGZVFWFLSA-N 2 1 363.433 0.727 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)CC[N@@H+]1C ZINC000938608967 1245888427 /nfs/dbraw/zinc/88/84/27/1245888427.db2.gz GKOBQMQQVRQEOW-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)CC[N@H+]1C ZINC000938608967 1245888431 /nfs/dbraw/zinc/88/84/31/1245888431.db2.gz GKOBQMQQVRQEOW-YESZJQIVSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000943713166 1247395805 /nfs/dbraw/zinc/39/58/05/1247395805.db2.gz XZVKLULERKHYIP-QBPKDAKJSA-N 2 1 362.518 0.966 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000944396640 1247550131 /nfs/dbraw/zinc/55/01/31/1247550131.db2.gz YMVFDQOQKDORDG-OWCLPIDISA-N 2 1 366.506 0.297 20 0 FCADMP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000945386719 1247740431 /nfs/dbraw/zinc/74/04/31/1247740431.db2.gz FNOKWUTVZTYUKP-YYIAUSFCSA-N 2 1 368.522 0.399 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000945837013 1247763458 /nfs/dbraw/zinc/76/34/58/1247763458.db2.gz MNFIUOFYTXLXAU-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000945837013 1247763465 /nfs/dbraw/zinc/76/34/65/1247763465.db2.gz MNFIUOFYTXLXAU-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945837013 1247763470 /nfs/dbraw/zinc/76/34/70/1247763470.db2.gz MNFIUOFYTXLXAU-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000945837013 1247763474 /nfs/dbraw/zinc/76/34/74/1247763474.db2.gz MNFIUOFYTXLXAU-BBWFWOEESA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cncn4)C[C@H]3CC2)CC[N@H+]1C ZINC000946595093 1247907383 /nfs/dbraw/zinc/90/73/83/1247907383.db2.gz IHSQBEOYJMKEBU-ZJPYXAASSA-N 2 1 360.506 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]3CC2)CC[NH+]1C ZINC000946595093 1247907387 /nfs/dbraw/zinc/90/73/87/1247907387.db2.gz IHSQBEOYJMKEBU-ZJPYXAASSA-N 2 1 360.506 0.789 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]3CC2)CC[NH+]1C ZINC000946595093 1247907392 /nfs/dbraw/zinc/90/73/92/1247907392.db2.gz IHSQBEOYJMKEBU-ZJPYXAASSA-N 2 1 360.506 0.789 20 0 FCADMP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@@H]2C1 ZINC000946631726 1247926936 /nfs/dbraw/zinc/92/69/36/1247926936.db2.gz VVNARTJBOIAZAF-JRBZFYFNSA-N 2 1 359.474 0.948 20 0 FCADMP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1)[NH+](C)C ZINC000946778944 1248016027 /nfs/dbraw/zinc/01/60/27/1248016027.db2.gz ZPTHKSYHFZSQJW-OWCLPIDISA-N 2 1 368.522 0.401 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC000946914232 1248075336 /nfs/dbraw/zinc/07/53/36/1248075336.db2.gz BYZYPEVCRXEWBX-DLBZAZTESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1 ZINC000972739088 1248128195 /nfs/dbraw/zinc/12/81/95/1248128195.db2.gz NWXGCFMECZHJJW-LZLYRXPVSA-N 2 1 362.518 0.872 20 0 FCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]32)CC1 ZINC000974910892 1248191007 /nfs/dbraw/zinc/19/10/07/1248191007.db2.gz JJYJJDMORUPIAM-FGTMMUONSA-N 2 1 362.518 0.872 20 0 FCADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001327932067 1265456994 /nfs/dbraw/zinc/45/69/94/1265456994.db2.gz GFIBMMIXADQIMT-QZTJIDSGSA-N 2 1 362.518 0.921 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@H+]1C ZINC000976595609 1248269315 /nfs/dbraw/zinc/26/93/15/1248269315.db2.gz NWZWDHWNSFCVKW-CFHZMDMSSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976595609 1248269324 /nfs/dbraw/zinc/26/93/24/1248269324.db2.gz NWZWDHWNSFCVKW-CFHZMDMSSA-N 2 1 362.518 0.774 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@H]32)CC[NH+]1C ZINC000976595609 1248269332 /nfs/dbraw/zinc/26/93/32/1248269332.db2.gz NWZWDHWNSFCVKW-CFHZMDMSSA-N 2 1 362.518 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC000976610125 1248292412 /nfs/dbraw/zinc/29/24/12/1248292412.db2.gz PMUCLLRJSMLTMP-DWMDIXPDSA-N 2 1 362.518 0.630 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C ZINC000976677965 1248334340 /nfs/dbraw/zinc/33/43/40/1248334340.db2.gz ZYWVNOZOMMZDMH-DBDULZNHSA-N 2 1 371.485 0.674 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1C ZINC000976677965 1248334346 /nfs/dbraw/zinc/33/43/46/1248334346.db2.gz ZYWVNOZOMMZDMH-DBDULZNHSA-N 2 1 371.485 0.674 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000976699244 1248345690 /nfs/dbraw/zinc/34/56/90/1248345690.db2.gz KCHOLHRYWWGBEP-HZPDHXFCSA-N 2 1 359.474 0.831 20 0 FCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001328188876 1265499176 /nfs/dbraw/zinc/49/91/76/1265499176.db2.gz ADOCLKLSQDYCFY-HNNXBMFYSA-N 2 1 363.510 0.206 20 0 FCADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846673 1250706257 /nfs/dbraw/zinc/70/62/57/1250706257.db2.gz FDUZZKUNZXNOFS-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994846673 1250706265 /nfs/dbraw/zinc/70/62/65/1250706265.db2.gz FDUZZKUNZXNOFS-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994846673 1250706273 /nfs/dbraw/zinc/70/62/73/1250706273.db2.gz FDUZZKUNZXNOFS-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994846673 1250706283 /nfs/dbraw/zinc/70/62/83/1250706283.db2.gz FDUZZKUNZXNOFS-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994847223 1250712028 /nfs/dbraw/zinc/71/20/28/1250712028.db2.gz JESUWQWKFYJOLB-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000994847223 1250712038 /nfs/dbraw/zinc/71/20/38/1250712038.db2.gz JESUWQWKFYJOLB-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994847223 1250712048 /nfs/dbraw/zinc/71/20/48/1250712048.db2.gz JESUWQWKFYJOLB-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994847223 1250712059 /nfs/dbraw/zinc/71/20/59/1250712059.db2.gz JESUWQWKFYJOLB-HYVNUMGLSA-N 2 1 366.506 0.295 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ncnn3CCF)C(C)(C)C2)CC[N@@H+]1C ZINC000995826193 1250993898 /nfs/dbraw/zinc/99/38/98/1250993898.db2.gz PGRPANOEPTXVFU-KFWWJZLASA-N 2 1 366.485 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ncnn3CCF)C(C)(C)C2)CC[N@H+]1C ZINC000995826193 1250993905 /nfs/dbraw/zinc/99/39/05/1250993905.db2.gz PGRPANOEPTXVFU-KFWWJZLASA-N 2 1 366.485 0.914 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000996542866 1251376161 /nfs/dbraw/zinc/37/61/61/1251376161.db2.gz BOQJRBVRYRTUHF-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000996542866 1251376168 /nfs/dbraw/zinc/37/61/68/1251376168.db2.gz BOQJRBVRYRTUHF-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000996542866 1251376180 /nfs/dbraw/zinc/37/61/80/1251376180.db2.gz BOQJRBVRYRTUHF-YVSFHVDLSA-N 2 1 362.518 0.918 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC000996602702 1251402579 /nfs/dbraw/zinc/40/25/79/1251402579.db2.gz FSDBYULIZWIZCY-JKSUJKDBSA-N 2 1 361.494 0.819 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000997035219 1251475543 /nfs/dbraw/zinc/47/55/43/1251475543.db2.gz UPANCIDBYGCFDK-CEXWTWQISA-N 2 1 370.497 0.801 20 0 FCADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001328605529 1265586144 /nfs/dbraw/zinc/58/61/44/1265586144.db2.gz UDBMZKKTBBDVML-MRXNPFEDSA-N 2 1 366.506 0.299 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997639178 1251648857 /nfs/dbraw/zinc/64/88/57/1251648857.db2.gz MVKJSYCYWODGQO-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997639178 1251648871 /nfs/dbraw/zinc/64/88/71/1251648871.db2.gz MVKJSYCYWODGQO-RVKKMQEKSA-N 2 1 363.506 0.856 20 0 FCADMP CC(C)n1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997787163 1251707041 /nfs/dbraw/zinc/70/70/41/1251707041.db2.gz VOAFEFUKUHRZCH-GDBMZVCRSA-N 2 1 363.510 0.922 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997887492 1251737907 /nfs/dbraw/zinc/73/79/07/1251737907.db2.gz RHJPNDMAVYEFIE-IKGGRYGDSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC000998466961 1251889562 /nfs/dbraw/zinc/88/95/62/1251889562.db2.gz PSIRXCZXNJQQRL-CVYDXHPNSA-N 2 1 359.474 0.780 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC000998633838 1251934618 /nfs/dbraw/zinc/93/46/18/1251934618.db2.gz XUWDXACJVDQXFA-BGTYHANMSA-N 2 1 362.518 0.918 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999496713 1252127096 /nfs/dbraw/zinc/12/70/96/1252127096.db2.gz OJKJYFGGUMIMFN-RVKKMQEKSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999496713 1252127100 /nfs/dbraw/zinc/12/71/00/1252127100.db2.gz OJKJYFGGUMIMFN-RVKKMQEKSA-N 2 1 362.474 0.890 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001003152448 1252793665 /nfs/dbraw/zinc/79/36/65/1252793665.db2.gz ZPDNMADLAHZWJQ-HHARLNAUSA-N 2 1 360.502 0.671 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001004360978 1253297567 /nfs/dbraw/zinc/29/75/67/1253297567.db2.gz OWNCXCBQOQWGBH-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001004360978 1253297573 /nfs/dbraw/zinc/29/75/73/1253297573.db2.gz OWNCXCBQOQWGBH-HZMVEIRTSA-N 2 1 359.474 0.781 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCCCC1 ZINC001519648724 1265743365 /nfs/dbraw/zinc/74/33/65/1265743365.db2.gz QFKOHBVZPDJKRD-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCCCC1 ZINC001519648724 1265743375 /nfs/dbraw/zinc/74/33/75/1265743375.db2.gz QFKOHBVZPDJKRD-UHFFFAOYSA-N 2 1 354.495 0.999 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001006184053 1253723119 /nfs/dbraw/zinc/72/31/19/1253723119.db2.gz MPVJYFNQJPMJJS-BHYGNILZSA-N 2 1 362.518 0.776 20 0 FCADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)n1 ZINC001329483881 1265765764 /nfs/dbraw/zinc/76/57/64/1265765764.db2.gz XVJIATLVUOSFDI-CYBMUJFWSA-N 2 1 354.418 0.780 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001029742454 1253871222 /nfs/dbraw/zinc/87/12/22/1253871222.db2.gz TVNMJYWHRJPTLT-SOUVJXGZSA-N 2 1 364.494 0.119 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001029742454 1253871231 /nfs/dbraw/zinc/87/12/31/1253871231.db2.gz TVNMJYWHRJPTLT-SOUVJXGZSA-N 2 1 364.494 0.119 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001029742454 1253871236 /nfs/dbraw/zinc/87/12/36/1253871236.db2.gz TVNMJYWHRJPTLT-SOUVJXGZSA-N 2 1 364.494 0.119 20 0 FCADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001519842713 1265782777 /nfs/dbraw/zinc/78/27/77/1265782777.db2.gz ZESDSLCMKSESGG-KXBFYZLASA-N 2 1 358.486 0.970 20 0 FCADMP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197475 1253952413 /nfs/dbraw/zinc/95/24/13/1253952413.db2.gz QPZGWSZZQSXLSC-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197475 1253952419 /nfs/dbraw/zinc/95/24/19/1253952419.db2.gz QPZGWSZZQSXLSC-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197475 1253952435 /nfs/dbraw/zinc/95/24/35/1253952435.db2.gz QPZGWSZZQSXLSC-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033197475 1253952445 /nfs/dbraw/zinc/95/24/45/1253952445.db2.gz QPZGWSZZQSXLSC-KBAYOESNSA-N 2 1 363.506 0.697 20 0 FCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3nccn3C)C2)C[N@H+]1C1CC1 ZINC001329645418 1265798109 /nfs/dbraw/zinc/79/81/09/1265798109.db2.gz SLEQEHVVZLCDDP-BZUAXINKSA-N 2 1 373.501 0.943 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001034214344 1253979418 /nfs/dbraw/zinc/97/94/18/1253979418.db2.gz KSYSZSKDOZTRGV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001034214344 1253979426 /nfs/dbraw/zinc/97/94/26/1253979426.db2.gz KSYSZSKDOZTRGV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001034214344 1253979429 /nfs/dbraw/zinc/97/94/29/1253979429.db2.gz KSYSZSKDOZTRGV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001034214344 1253979436 /nfs/dbraw/zinc/97/94/36/1253979436.db2.gz KSYSZSKDOZTRGV-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001034221051 1253982121 /nfs/dbraw/zinc/98/21/21/1253982121.db2.gz YNNPNRJHISTUGP-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001034221051 1253982149 /nfs/dbraw/zinc/98/21/49/1253982149.db2.gz YNNPNRJHISTUGP-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001034221051 1253982161 /nfs/dbraw/zinc/98/21/61/1253982161.db2.gz YNNPNRJHISTUGP-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001034971652 1254012541 /nfs/dbraw/zinc/01/25/41/1254012541.db2.gz SMOWKLASAZOIDX-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001034971652 1254012548 /nfs/dbraw/zinc/01/25/48/1254012548.db2.gz SMOWKLASAZOIDX-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971571 1254012609 /nfs/dbraw/zinc/01/26/09/1254012609.db2.gz QEHJYYDCBPXFAZ-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971571 1254012618 /nfs/dbraw/zinc/01/26/18/1254012618.db2.gz QEHJYYDCBPXFAZ-DJIMGWMZSA-N 2 1 362.474 0.890 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+]([C@H]4CCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035187849 1254019107 /nfs/dbraw/zinc/01/91/07/1254019107.db2.gz IIHQVJNZRWYDCH-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@@H+]([C@H]4CCNC4=O)C3)CC2)CC[NH+]1C ZINC001035187849 1254019115 /nfs/dbraw/zinc/01/91/15/1254019115.db2.gz IIHQVJNZRWYDCH-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@H+]([C@H]4CCNC4=O)C3)CC2)CC[NH+]1C ZINC001035187849 1254019120 /nfs/dbraw/zinc/01/91/20/1254019120.db2.gz IIHQVJNZRWYDCH-BBWFWOEESA-N 2 1 362.518 0.920 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)N(C)C)C3)CC2)O1 ZINC001035197116 1254020046 /nfs/dbraw/zinc/02/00/46/1254020046.db2.gz INBZCDDDDZTYLJ-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CC[NH+](CC(=O)N(C)C)C3)CC2)O1 ZINC001035197116 1254020061 /nfs/dbraw/zinc/02/00/61/1254020061.db2.gz INBZCDDDDZTYLJ-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)O1 ZINC001035197116 1254020074 /nfs/dbraw/zinc/02/00/74/1254020074.db2.gz INBZCDDDDZTYLJ-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)O1 ZINC001035197116 1254020088 /nfs/dbraw/zinc/02/00/88/1254020088.db2.gz INBZCDDDDZTYLJ-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)CC1 ZINC001035370433 1254025954 /nfs/dbraw/zinc/02/59/54/1254025954.db2.gz LRRMBTOAHOHBGX-QRVBRYPASA-N 2 1 365.518 0.960 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035710797 1254058949 /nfs/dbraw/zinc/05/89/49/1254058949.db2.gz SRTPSMPHFPUHSR-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+]([C@@H]4CCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035710797 1254058952 /nfs/dbraw/zinc/05/89/52/1254058952.db2.gz SRTPSMPHFPUHSR-GVDBMIGSSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001329678465 1265811588 /nfs/dbraw/zinc/81/15/88/1265811588.db2.gz GYTJSRMIYHKBHQ-XLNGHYISSA-N 2 1 366.506 0.317 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)O1 ZINC001061123002 1254159079 /nfs/dbraw/zinc/15/90/79/1254159079.db2.gz SCNKOEICFIGMPY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)O1 ZINC001061123002 1254159095 /nfs/dbraw/zinc/15/90/95/1254159095.db2.gz SCNKOEICFIGMPY-HZPDHXFCSA-N 2 1 366.506 0.108 20 0 FCADMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001329822965 1265861728 /nfs/dbraw/zinc/86/17/28/1265861728.db2.gz GLRQSYUXSCEPSI-UHFFFAOYSA-N 2 1 364.490 0.629 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001065206701 1254488587 /nfs/dbraw/zinc/48/85/87/1254488587.db2.gz NEAAWVHTUUGHSH-BZUAXINKSA-N 2 1 366.506 0.155 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001065210174 1254491829 /nfs/dbraw/zinc/49/18/29/1254491829.db2.gz BCWPFGHKNMCRCZ-IXDOHACOSA-N 2 1 366.506 0.156 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)CC)C2)CC[N@H+]1C ZINC001065212896 1254495552 /nfs/dbraw/zinc/49/55/52/1254495552.db2.gz XVHWVQBHHFXDIK-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC[N@H+](C)CC)C2)CC[NH+]1C ZINC001065212896 1254495560 /nfs/dbraw/zinc/49/55/60/1254495560.db2.gz XVHWVQBHHFXDIK-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C2)CC[NH+]1C ZINC001065212896 1254495567 /nfs/dbraw/zinc/49/55/67/1254495567.db2.gz XVHWVQBHHFXDIK-YESZJQIVSA-N 2 1 368.522 0.402 20 0 FCADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001520257755 1265890387 /nfs/dbraw/zinc/89/03/87/1265890387.db2.gz AAXCRMIPABIUJE-GOEBONIOSA-N 2 1 363.510 0.906 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680369 1254866039 /nfs/dbraw/zinc/86/60/39/1254866039.db2.gz CFMNJFUOXVLAHS-IIDMSEBBSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680369 1254866046 /nfs/dbraw/zinc/86/60/46/1254866046.db2.gz CFMNJFUOXVLAHS-IIDMSEBBSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680369 1254866051 /nfs/dbraw/zinc/86/60/51/1254866051.db2.gz CFMNJFUOXVLAHS-IIDMSEBBSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001077680369 1254866054 /nfs/dbraw/zinc/86/60/54/1254866054.db2.gz CFMNJFUOXVLAHS-IIDMSEBBSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777652 1254978899 /nfs/dbraw/zinc/97/88/99/1254978899.db2.gz UZDFCAVJPYRBQA-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777652 1254978915 /nfs/dbraw/zinc/97/89/15/1254978915.db2.gz UZDFCAVJPYRBQA-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777652 1254978927 /nfs/dbraw/zinc/97/89/27/1254978927.db2.gz UZDFCAVJPYRBQA-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077777652 1254978938 /nfs/dbraw/zinc/97/89/38/1254978938.db2.gz UZDFCAVJPYRBQA-KZNAEPCWSA-N 2 1 363.506 0.387 20 0 FCADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818482 1255019005 /nfs/dbraw/zinc/01/90/05/1255019005.db2.gz YEFOGRULBATIMV-ATZDWAIDSA-N 2 1 371.485 0.981 20 0 FCADMP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001078005941 1255161387 /nfs/dbraw/zinc/16/13/87/1255161387.db2.gz NMIWEVPPDYFYOB-BRWVUGGUSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001078005941 1255161392 /nfs/dbraw/zinc/16/13/92/1255161392.db2.gz NMIWEVPPDYFYOB-BRWVUGGUSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001078005941 1255161399 /nfs/dbraw/zinc/16/13/99/1255161399.db2.gz NMIWEVPPDYFYOB-BRWVUGGUSA-N 2 1 361.490 0.151 20 0 FCADMP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001078005941 1255161403 /nfs/dbraw/zinc/16/14/03/1255161403.db2.gz NMIWEVPPDYFYOB-BRWVUGGUSA-N 2 1 361.490 0.151 20 0 FCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008312 1255163054 /nfs/dbraw/zinc/16/30/54/1255163054.db2.gz CIPGFVCCPHYUEK-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008312 1255163056 /nfs/dbraw/zinc/16/30/56/1255163056.db2.gz CIPGFVCCPHYUEK-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008312 1255163060 /nfs/dbraw/zinc/16/30/60/1255163060.db2.gz CIPGFVCCPHYUEK-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001078008312 1255163063 /nfs/dbraw/zinc/16/30/63/1255163063.db2.gz CIPGFVCCPHYUEK-BMGDILEWSA-N 2 1 365.449 0.708 20 0 FCADMP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078013051 1255168513 /nfs/dbraw/zinc/16/85/13/1255168513.db2.gz OQDIPZJDBUWJBF-QZTJIDSGSA-N 2 1 359.470 0.590 20 0 FCADMP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078013051 1255168516 /nfs/dbraw/zinc/16/85/16/1255168516.db2.gz OQDIPZJDBUWJBF-QZTJIDSGSA-N 2 1 359.470 0.590 20 0 FCADMP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078012813 1255168619 /nfs/dbraw/zinc/16/86/19/1255168619.db2.gz BPUDYBPYCSNFEF-QZTJIDSGSA-N 2 1 358.486 0.510 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001078018245 1255175005 /nfs/dbraw/zinc/17/50/05/1255175005.db2.gz UXCMNFLDCISPBR-QGPMSJSTSA-N 2 1 362.474 0.739 20 0 FCADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001078018245 1255175009 /nfs/dbraw/zinc/17/50/09/1255175009.db2.gz UXCMNFLDCISPBR-QGPMSJSTSA-N 2 1 362.474 0.739 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174504 1255287277 /nfs/dbraw/zinc/28/72/77/1255287277.db2.gz NKCKZCVZDVRNMO-RCCFBDPRSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174504 1255287281 /nfs/dbraw/zinc/28/72/81/1255287281.db2.gz NKCKZCVZDVRNMO-RCCFBDPRSA-N 2 1 354.454 0.848 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001078174504 1255287284 /nfs/dbraw/zinc/28/72/84/1255287284.db2.gz NKCKZCVZDVRNMO-RCCFBDPRSA-N 2 1 354.454 0.848 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174623 1255287993 /nfs/dbraw/zinc/28/79/93/1255287993.db2.gz QNALSHOTSIDRSV-QXAKKESOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174623 1255287998 /nfs/dbraw/zinc/28/79/98/1255287998.db2.gz QNALSHOTSIDRSV-QXAKKESOSA-N 2 1 369.469 0.485 20 0 FCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)C1 ZINC001078174623 1255288004 /nfs/dbraw/zinc/28/80/04/1255288004.db2.gz QNALSHOTSIDRSV-QXAKKESOSA-N 2 1 369.469 0.485 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209571 1255326224 /nfs/dbraw/zinc/32/62/24/1255326224.db2.gz JEURRPVCXSUJGG-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209571 1255326231 /nfs/dbraw/zinc/32/62/31/1255326231.db2.gz JEURRPVCXSUJGG-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209571 1255326238 /nfs/dbraw/zinc/32/62/38/1255326238.db2.gz JEURRPVCXSUJGG-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]2O)C1 ZINC001078209571 1255326247 /nfs/dbraw/zinc/32/62/47/1255326247.db2.gz JEURRPVCXSUJGG-GUDVDZBRSA-N 2 1 361.486 0.685 20 0 FCADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)o1 ZINC001078261905 1255368751 /nfs/dbraw/zinc/36/87/51/1255368751.db2.gz JQZLFSMZWXHHHA-USXIJHARSA-N 2 1 365.474 0.933 20 0 FCADMP Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078403755 1255407438 /nfs/dbraw/zinc/40/74/38/1255407438.db2.gz HSIUQYOMWMFRSI-IXDOHACOSA-N 2 1 361.490 0.832 20 0 FCADMP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405491 1255408304 /nfs/dbraw/zinc/40/83/04/1255408304.db2.gz OXKIDTAXSRQVIF-DJIMGWMZSA-N 2 1 364.494 0.345 20 0 FCADMP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)ncn1 ZINC001078405520 1255408670 /nfs/dbraw/zinc/40/86/70/1255408670.db2.gz PTTOCLSFMRZQKS-KBAYOESNSA-N 2 1 361.490 0.832 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001078404202 1255408986 /nfs/dbraw/zinc/40/89/86/1255408986.db2.gz UZQMTFALGWZZKD-FGTMMUONSA-N 2 1 363.506 0.858 20 0 FCADMP COCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001079160640 1255463456 /nfs/dbraw/zinc/46/34/56/1255463456.db2.gz CWIWOWKBRKMACL-IAGOWNOFSA-N 2 1 368.522 0.404 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079198897 1255470640 /nfs/dbraw/zinc/47/06/40/1255470640.db2.gz XSQZGPWELCGDSM-RRQGHBQHSA-N 2 1 362.449 0.679 20 0 FCADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079260960 1255492337 /nfs/dbraw/zinc/49/23/37/1255492337.db2.gz YABYTHNYEHNTED-OKZBNKHCSA-N 2 1 365.518 0.793 20 0 FCADMP O=C(N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)[C@@]12CC[N@@H+](C1)CCC2 ZINC001079270935 1255495872 /nfs/dbraw/zinc/49/58/72/1255495872.db2.gz CNXLIKIDPADMCH-QKLQHJQFSA-N 2 1 363.502 0.404 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001079295720 1255501964 /nfs/dbraw/zinc/50/19/64/1255501964.db2.gz QGUZVWJLGBURMU-LNCBFAARSA-N 2 1 362.449 0.535 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710586 1255583968 /nfs/dbraw/zinc/58/39/68/1255583968.db2.gz OMIAVRPPKFDVMX-KBAYOESNSA-N 2 1 362.518 0.777 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710586 1255583974 /nfs/dbraw/zinc/58/39/74/1255583974.db2.gz OMIAVRPPKFDVMX-KBAYOESNSA-N 2 1 362.518 0.777 20 0 FCADMP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717693 1255585166 /nfs/dbraw/zinc/58/51/66/1255585166.db2.gz WRCLAPYZONOWRN-CZUORRHYSA-N 2 1 360.462 0.991 20 0 FCADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717693 1255585170 /nfs/dbraw/zinc/58/51/70/1255585170.db2.gz WRCLAPYZONOWRN-CZUORRHYSA-N 2 1 360.462 0.991 20 0 FCADMP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037634 1255720817 /nfs/dbraw/zinc/72/08/17/1255720817.db2.gz PNIZSBPIRRRKJZ-BRWVUGGUSA-N 2 1 362.518 0.968 20 0 FCADMP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161044 1255766445 /nfs/dbraw/zinc/76/64/45/1255766445.db2.gz KFKLQXJIWXGSSH-LOFRJYDISA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161044 1255766453 /nfs/dbraw/zinc/76/64/53/1255766453.db2.gz KFKLQXJIWXGSSH-LOFRJYDISA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161044 1255766458 /nfs/dbraw/zinc/76/64/58/1255766458.db2.gz KFKLQXJIWXGSSH-LOFRJYDISA-N 2 1 363.502 0.855 20 0 FCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754570 1256018707 /nfs/dbraw/zinc/01/87/07/1256018707.db2.gz QBLIKBHICBAZFW-RDTXWAMCSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754570 1256018719 /nfs/dbraw/zinc/01/87/19/1256018719.db2.gz QBLIKBHICBAZFW-RDTXWAMCSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754135 1256018830 /nfs/dbraw/zinc/01/88/30/1256018830.db2.gz AMQLJTPTXGTUDY-ZTFGCOKTSA-N 2 1 362.518 0.824 20 0 FCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754395 1256019292 /nfs/dbraw/zinc/01/92/92/1256019292.db2.gz KHYXYJPBTAKUEV-CRAIPNDOSA-N 2 1 360.506 0.837 20 0 FCADMP CC[NH+](CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080868835 1256063660 /nfs/dbraw/zinc/06/36/60/1256063660.db2.gz NXMOIRZHRCYRJU-HZPDHXFCSA-N 2 1 368.522 0.138 20 0 FCADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227096 1256211863 /nfs/dbraw/zinc/21/18/63/1256211863.db2.gz PWKJBZZYIAODAE-NZSAHSFTSA-N 2 1 368.485 0.851 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081228835 1256212953 /nfs/dbraw/zinc/21/29/53/1256212953.db2.gz CJRFUPLTTWGOGG-RCCFBDPRSA-N 2 1 367.453 0.664 20 0 FCADMP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081694092 1256336639 /nfs/dbraw/zinc/33/66/39/1256336639.db2.gz JOPGTYZEFCFBDW-VDHUWJSZSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081694092 1256336642 /nfs/dbraw/zinc/33/66/42/1256336642.db2.gz JOPGTYZEFCFBDW-VDHUWJSZSA-N 2 1 363.506 0.601 20 0 FCADMP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081694092 1256336645 /nfs/dbraw/zinc/33/66/45/1256336645.db2.gz JOPGTYZEFCFBDW-VDHUWJSZSA-N 2 1 363.506 0.601 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2OC)CC[N@@H+]1C ZINC001081699222 1256337939 /nfs/dbraw/zinc/33/79/39/1256337939.db2.gz KJXRBXIVUXHRBO-BSDSXHPESA-N 2 1 363.506 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@H]2OC)CC[N@H+]1C ZINC001081699222 1256337941 /nfs/dbraw/zinc/33/79/41/1256337941.db2.gz KJXRBXIVUXHRBO-BSDSXHPESA-N 2 1 363.506 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699222 1256337945 /nfs/dbraw/zinc/33/79/45/1256337945.db2.gz KJXRBXIVUXHRBO-BSDSXHPESA-N 2 1 363.506 0.774 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699222 1256337950 /nfs/dbraw/zinc/33/79/50/1256337950.db2.gz KJXRBXIVUXHRBO-BSDSXHPESA-N 2 1 363.506 0.774 20 0 FCADMP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081788497 1256368228 /nfs/dbraw/zinc/36/82/28/1256368228.db2.gz RCEGPYFOFGYXQU-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081788497 1256368234 /nfs/dbraw/zinc/36/82/34/1256368234.db2.gz RCEGPYFOFGYXQU-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081788497 1256368240 /nfs/dbraw/zinc/36/82/40/1256368240.db2.gz RCEGPYFOFGYXQU-KZNAEPCWSA-N 2 1 363.506 0.676 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082097159 1256532955 /nfs/dbraw/zinc/53/29/55/1256532955.db2.gz YLYYOMNEGBETSN-IAGOWNOFSA-N 2 1 366.506 0.156 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133817 1256550215 /nfs/dbraw/zinc/55/02/15/1256550215.db2.gz RBNMJSZPCXVEOV-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133817 1256550216 /nfs/dbraw/zinc/55/02/16/1256550216.db2.gz RBNMJSZPCXVEOV-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133817 1256550219 /nfs/dbraw/zinc/55/02/19/1256550219.db2.gz RBNMJSZPCXVEOV-GVDBMIGSSA-N 2 1 366.506 0.299 20 0 FCADMP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279409 1256628281 /nfs/dbraw/zinc/62/82/81/1256628281.db2.gz ZRVYBLCWZYWDBA-IAOVAPTHSA-N 2 1 359.430 0.731 20 0 FCADMP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279409 1256628284 /nfs/dbraw/zinc/62/82/84/1256628284.db2.gz ZRVYBLCWZYWDBA-IAOVAPTHSA-N 2 1 359.430 0.731 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001082458933 1256770460 /nfs/dbraw/zinc/77/04/60/1256770460.db2.gz ASGXIQBZIOIHTL-DJIMGWMZSA-N 2 1 363.506 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001082458933 1256770463 /nfs/dbraw/zinc/77/04/63/1256770463.db2.gz ASGXIQBZIOIHTL-DJIMGWMZSA-N 2 1 363.506 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001082458934 1256770903 /nfs/dbraw/zinc/77/09/03/1256770903.db2.gz ASGXIQBZIOIHTL-OIISXLGYSA-N 2 1 363.506 0.905 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001082458934 1256770905 /nfs/dbraw/zinc/77/09/05/1256770905.db2.gz ASGXIQBZIOIHTL-OIISXLGYSA-N 2 1 363.506 0.905 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515400 1256801055 /nfs/dbraw/zinc/80/10/55/1256801055.db2.gz MMNWECTXJRHSBB-VNQPRFMTSA-N 2 1 361.494 0.532 20 0 FCADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001082518048 1256804035 /nfs/dbraw/zinc/80/40/35/1256804035.db2.gz WQUUDYYDNJJAGI-MLGOLLRUSA-N 2 1 361.450 0.386 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082558257 1256854183 /nfs/dbraw/zinc/85/41/83/1256854183.db2.gz HIKXCXCEVNUFHO-DJIMGWMZSA-N 2 1 359.478 0.184 20 0 FCADMP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082557525 1256854781 /nfs/dbraw/zinc/85/47/81/1256854781.db2.gz KUOGUNUFMWSCAQ-CHWSQXEVSA-N 2 1 370.448 0.964 20 0 FCADMP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082575444 1256883623 /nfs/dbraw/zinc/88/36/23/1256883623.db2.gz FZNVQDIDLOXLJG-INMHGKMJSA-N 2 1 365.526 0.996 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082590400 1256904346 /nfs/dbraw/zinc/90/43/46/1256904346.db2.gz UXOABFCILRKIGI-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082590400 1256904349 /nfs/dbraw/zinc/90/43/49/1256904349.db2.gz UXOABFCILRKIGI-DTTOXWODSA-N 2 1 374.485 0.441 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001082590097 1256904513 /nfs/dbraw/zinc/90/45/13/1256904513.db2.gz BUOQHQPQDGBBPZ-RRCSTGOVSA-N 2 1 363.462 0.141 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001082590097 1256904516 /nfs/dbraw/zinc/90/45/16/1256904516.db2.gz BUOQHQPQDGBBPZ-RRCSTGOVSA-N 2 1 363.462 0.141 20 0 FCADMP CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001082617208 1256928011 /nfs/dbraw/zinc/92/80/11/1256928011.db2.gz BJLQZRJZMGSCOF-HUUCEWRRSA-N 2 1 361.494 0.819 20 0 FCADMP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082617481 1256928609 /nfs/dbraw/zinc/92/86/09/1256928609.db2.gz WUWZLTDHAOHYAS-HUUCEWRRSA-N 2 1 364.469 0.813 20 0 FCADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653353 1256957021 /nfs/dbraw/zinc/95/70/21/1256957021.db2.gz GWGIFPNBZLUUSL-YFCUKEQTSA-N 2 1 360.458 0.783 20 0 FCADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)on1 ZINC001082653543 1256957419 /nfs/dbraw/zinc/95/74/19/1256957419.db2.gz PXHAIYDCPHBTLL-MESWHDRRSA-N 2 1 360.458 0.783 20 0 FCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001082653479 1256957868 /nfs/dbraw/zinc/95/78/68/1256957868.db2.gz MPTYNPWVAOWGEL-LOFRJYDISA-N 2 1 356.470 0.881 20 0 FCADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[NH+](C)C ZINC001082724068 1257009507 /nfs/dbraw/zinc/00/95/07/1257009507.db2.gz DAZQQKPIDXGMLH-CKEIUWERSA-N 2 1 364.494 0.331 20 0 FCADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082719715 1257009929 /nfs/dbraw/zinc/00/99/29/1257009929.db2.gz GJIACNUSFDKHBX-DVOMOZLQSA-N 2 1 361.494 0.847 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082743065 1257023594 /nfs/dbraw/zinc/02/35/94/1257023594.db2.gz FUJBUUFKTAYLEI-SIIHOXLZSA-N 2 1 366.485 0.964 20 0 FCADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082743065 1257023602 /nfs/dbraw/zinc/02/36/02/1257023602.db2.gz FUJBUUFKTAYLEI-SIIHOXLZSA-N 2 1 366.485 0.964 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1=O ZINC001082742521 1257023915 /nfs/dbraw/zinc/02/39/15/1257023915.db2.gz IQCRECABPNUGQX-IIAWOOMASA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082743140 1257024392 /nfs/dbraw/zinc/02/43/92/1257024392.db2.gz KJEVGKRELWLGHU-HUUCEWRRSA-N 2 1 364.490 0.304 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082742768 1257024566 /nfs/dbraw/zinc/02/45/66/1257024566.db2.gz RAOYBIOHSDZNJU-DDUZABMNSA-N 2 1 366.485 0.964 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)nn1 ZINC001082808177 1257067130 /nfs/dbraw/zinc/06/71/30/1257067130.db2.gz YPUKZAAAZVNQBR-GDBMZVCRSA-N 2 1 363.462 0.144 20 0 FCADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)cn1 ZINC001082807867 1257067215 /nfs/dbraw/zinc/06/72/15/1257067215.db2.gz HWUCLOVTCMEVCD-SJLPKXTDSA-N 2 1 363.506 0.604 20 0 FCADMP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082828072 1257085655 /nfs/dbraw/zinc/08/56/55/1257085655.db2.gz QSBQIAYJZBFOOO-GDBMZVCRSA-N 2 1 364.494 0.345 20 0 FCADMP CCn1cc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)nn1 ZINC001082828863 1257085946 /nfs/dbraw/zinc/08/59/46/1257085946.db2.gz MYBDEBKAGZUSAI-RHSMWYFYSA-N 2 1 364.494 0.345 20 0 FCADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521127317 1266088740 /nfs/dbraw/zinc/08/87/40/1266088740.db2.gz XUGCQJYHMNIKHR-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521127317 1266088746 /nfs/dbraw/zinc/08/87/46/1266088746.db2.gz XUGCQJYHMNIKHR-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001521127317 1266088756 /nfs/dbraw/zinc/08/87/56/1266088756.db2.gz XUGCQJYHMNIKHR-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001521127317 1266088767 /nfs/dbraw/zinc/08/87/67/1266088767.db2.gz XUGCQJYHMNIKHR-MRXNPFEDSA-N 2 1 354.495 0.999 20 0 FCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861511 1257112833 /nfs/dbraw/zinc/11/28/33/1257112833.db2.gz DKMGGNVWPUBADC-IJEWVQPXSA-N 2 1 363.458 0.927 20 0 FCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082863283 1257114063 /nfs/dbraw/zinc/11/40/63/1257114063.db2.gz YGTPNIBNZXAYJK-UKRRQHHQSA-N 2 1 358.490 0.725 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082920255 1257145567 /nfs/dbraw/zinc/14/55/67/1257145567.db2.gz WUXFCODMELRJOH-FVQBIDKESA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082920255 1257145572 /nfs/dbraw/zinc/14/55/72/1257145572.db2.gz WUXFCODMELRJOH-FVQBIDKESA-N 2 1 360.506 0.971 20 0 FCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC001082921897 1257145738 /nfs/dbraw/zinc/14/57/38/1257145738.db2.gz UFTGYWFOYYYQRW-QBIMZIAESA-N 2 1 362.449 0.884 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082943322 1257160702 /nfs/dbraw/zinc/16/07/02/1257160702.db2.gz DOLUEKWFOCFTFU-BZUAXINKSA-N 2 1 364.490 0.446 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)CC[N@H+]1C ZINC001083085754 1257287866 /nfs/dbraw/zinc/28/78/66/1257287866.db2.gz JOWKTCNWDFOINZ-NRSFXHEJSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083085754 1257287871 /nfs/dbraw/zinc/28/78/71/1257287871.db2.gz JOWKTCNWDFOINZ-NRSFXHEJSA-N 2 1 361.490 0.214 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083085754 1257287873 /nfs/dbraw/zinc/28/78/73/1257287873.db2.gz JOWKTCNWDFOINZ-NRSFXHEJSA-N 2 1 361.490 0.214 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@@H]21)[NH+](C)C ZINC001083120015 1257352600 /nfs/dbraw/zinc/35/26/00/1257352600.db2.gz VCWQXTJULPBSQI-FGTMMUONSA-N 2 1 363.506 0.697 20 0 FCADMP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@@H]21)[NH+](C)C ZINC001083120015 1257352609 /nfs/dbraw/zinc/35/26/09/1257352609.db2.gz VCWQXTJULPBSQI-FGTMMUONSA-N 2 1 363.506 0.697 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cccn4)C[C@@H]32)CC[N@@H+]1C ZINC001083175146 1257434577 /nfs/dbraw/zinc/43/45/77/1257434577.db2.gz LHZGVMINFVVAOA-XLAORIBOSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cccn4)C[C@@H]32)CC[N@H+]1C ZINC001083175146 1257434581 /nfs/dbraw/zinc/43/45/81/1257434581.db2.gz LHZGVMINFVVAOA-XLAORIBOSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]32)CC[NH+]1C ZINC001083175146 1257434587 /nfs/dbraw/zinc/43/45/87/1257434587.db2.gz LHZGVMINFVVAOA-XLAORIBOSA-N 2 1 361.490 0.525 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]32)CC[NH+]1C ZINC001083175146 1257434591 /nfs/dbraw/zinc/43/45/91/1257434591.db2.gz LHZGVMINFVVAOA-XLAORIBOSA-N 2 1 361.490 0.525 20 0 FCADMP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1 ZINC001083645188 1257463614 /nfs/dbraw/zinc/46/36/14/1257463614.db2.gz OWJQWGXMKSKOIX-MSOLQXFVSA-N 2 1 358.442 0.604 20 0 FCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1 ZINC001083645188 1257463618 /nfs/dbraw/zinc/46/36/18/1257463618.db2.gz OWJQWGXMKSKOIX-MSOLQXFVSA-N 2 1 358.442 0.604 20 0 FCADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777577 1257517879 /nfs/dbraw/zinc/51/78/79/1257517879.db2.gz CFMNJFUOXVLAHS-VKJFTORMSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777577 1257517882 /nfs/dbraw/zinc/51/78/82/1257517882.db2.gz CFMNJFUOXVLAHS-VKJFTORMSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777577 1257517884 /nfs/dbraw/zinc/51/78/84/1257517884.db2.gz CFMNJFUOXVLAHS-VKJFTORMSA-N 2 1 367.469 0.257 20 0 FCADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083777577 1257517889 /nfs/dbraw/zinc/51/78/89/1257517889.db2.gz CFMNJFUOXVLAHS-VKJFTORMSA-N 2 1 367.469 0.257 20 0 FCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781088 1257523534 /nfs/dbraw/zinc/52/35/34/1257523534.db2.gz ULQQLQIWCQHMSK-IPELMVKDSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781088 1257523539 /nfs/dbraw/zinc/52/35/39/1257523539.db2.gz ULQQLQIWCQHMSK-IPELMVKDSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781088 1257523544 /nfs/dbraw/zinc/52/35/44/1257523544.db2.gz ULQQLQIWCQHMSK-IPELMVKDSA-N 2 1 360.502 0.756 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083781088 1257523550 /nfs/dbraw/zinc/52/35/50/1257523550.db2.gz ULQQLQIWCQHMSK-IPELMVKDSA-N 2 1 360.502 0.756 20 0 FCADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083783161 1257530060 /nfs/dbraw/zinc/53/00/60/1257530060.db2.gz CNBOJKLSGRFKOE-UHOSZYNNSA-N 2 1 361.486 0.602 20 0 FCADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H](O)C2)c1 ZINC001083850900 1257606672 /nfs/dbraw/zinc/60/66/72/1257606672.db2.gz AYTRYXABRWVRNY-MOPGFXCFSA-N 2 1 371.485 0.728 20 0 FCADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)cn1 ZINC001083850950 1257609247 /nfs/dbraw/zinc/60/92/47/1257609247.db2.gz DPQCJNDIPDXYDU-MOPGFXCFSA-N 2 1 371.485 0.462 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001083860446 1257621737 /nfs/dbraw/zinc/62/17/37/1257621737.db2.gz QUEMABNMGXWRRR-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001083860446 1257621742 /nfs/dbraw/zinc/62/17/42/1257621742.db2.gz QUEMABNMGXWRRR-MSOLQXFVSA-N 2 1 357.458 0.420 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083887808 1257659399 /nfs/dbraw/zinc/65/93/99/1257659399.db2.gz MHRITIASAXXXDY-QYZOEREBSA-N 2 1 367.534 0.821 20 0 FCADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083887808 1257659404 /nfs/dbraw/zinc/65/94/04/1257659404.db2.gz MHRITIASAXXXDY-QYZOEREBSA-N 2 1 367.534 0.821 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)CC1 ZINC001083908537 1257687659 /nfs/dbraw/zinc/68/76/59/1257687659.db2.gz JJIMDNVMWUPLNC-MSOLQXFVSA-N 2 1 363.506 0.244 20 0 FCADMP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083957746 1257746789 /nfs/dbraw/zinc/74/67/89/1257746789.db2.gz NXXIVFBMQPAJCX-MSOLQXFVSA-N 2 1 359.470 0.631 20 0 FCADMP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083957746 1257746790 /nfs/dbraw/zinc/74/67/90/1257746790.db2.gz NXXIVFBMQPAJCX-MSOLQXFVSA-N 2 1 359.470 0.631 20 0 FCADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958067 1257748507 /nfs/dbraw/zinc/74/85/07/1257748507.db2.gz XMNXRFGKCSYWAB-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958067 1257748514 /nfs/dbraw/zinc/74/85/14/1257748514.db2.gz XMNXRFGKCSYWAB-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1C ZINC001083959302 1257749903 /nfs/dbraw/zinc/74/99/03/1257749903.db2.gz QLRCNSZZIGOWMA-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1C ZINC001083959302 1257749909 /nfs/dbraw/zinc/74/99/09/1257749909.db2.gz QLRCNSZZIGOWMA-SJORKVTESA-N 2 1 359.470 0.761 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078195 1257904948 /nfs/dbraw/zinc/90/49/48/1257904948.db2.gz QCJFXOOGNKEAOM-CEXWTWQISA-N 2 1 361.486 0.420 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078195 1257904954 /nfs/dbraw/zinc/90/49/54/1257904954.db2.gz QCJFXOOGNKEAOM-CEXWTWQISA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078195 1257904959 /nfs/dbraw/zinc/90/49/59/1257904959.db2.gz QCJFXOOGNKEAOM-CEXWTWQISA-N 2 1 361.486 0.420 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@H]2O)C1 ZINC001084078195 1257904965 /nfs/dbraw/zinc/90/49/65/1257904965.db2.gz QCJFXOOGNKEAOM-CEXWTWQISA-N 2 1 361.486 0.420 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231135 1257977692 /nfs/dbraw/zinc/97/76/92/1257977692.db2.gz USMXATHFTUXMJN-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231135 1257977697 /nfs/dbraw/zinc/97/76/97/1257977697.db2.gz USMXATHFTUXMJN-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084231135 1257977703 /nfs/dbraw/zinc/97/77/03/1257977703.db2.gz USMXATHFTUXMJN-FGTMMUONSA-N 2 1 356.470 0.912 20 0 FCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084389249 1258067521 /nfs/dbraw/zinc/06/75/21/1258067521.db2.gz ZBILYCAJXMDKPI-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001084389249 1258067527 /nfs/dbraw/zinc/06/75/27/1258067527.db2.gz ZBILYCAJXMDKPI-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084389249 1258067533 /nfs/dbraw/zinc/06/75/33/1258067533.db2.gz ZBILYCAJXMDKPI-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084389249 1258067537 /nfs/dbraw/zinc/06/75/37/1258067537.db2.gz ZBILYCAJXMDKPI-BRWVUGGUSA-N 2 1 363.506 0.419 20 0 FCADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001084404987 1258084423 /nfs/dbraw/zinc/08/44/23/1258084423.db2.gz VJOACQUVYBGLJF-BRWVUGGUSA-N 2 1 361.490 0.261 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450773 1258118328 /nfs/dbraw/zinc/11/83/28/1258118328.db2.gz YMTOQDVGUWPZSS-OWCLPIDISA-N 2 1 366.506 0.141 20 0 FCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450773 1258118329 /nfs/dbraw/zinc/11/83/29/1258118329.db2.gz YMTOQDVGUWPZSS-OWCLPIDISA-N 2 1 366.506 0.141 20 0 FCADMP C/C(=C/C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001521676976 1266162256 /nfs/dbraw/zinc/16/22/56/1266162256.db2.gz NHQPBVAHBBGEQA-BWOXLJFGSA-N 2 1 374.529 0.753 20 0 FCADMP C/C(=C/C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001521676976 1266162261 /nfs/dbraw/zinc/16/22/61/1266162261.db2.gz NHQPBVAHBBGEQA-BWOXLJFGSA-N 2 1 374.529 0.753 20 0 FCADMP C/C(=C/C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001521676976 1266162262 /nfs/dbraw/zinc/16/22/62/1266162262.db2.gz NHQPBVAHBBGEQA-BWOXLJFGSA-N 2 1 374.529 0.753 20 0 FCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663324 1258225337 /nfs/dbraw/zinc/22/53/37/1258225337.db2.gz XEXZGZXHEHEHIN-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663324 1258225345 /nfs/dbraw/zinc/22/53/45/1258225345.db2.gz XEXZGZXHEHEHIN-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663324 1258225356 /nfs/dbraw/zinc/22/53/56/1258225356.db2.gz XEXZGZXHEHEHIN-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084663324 1258225359 /nfs/dbraw/zinc/22/53/59/1258225359.db2.gz XEXZGZXHEHEHIN-BZUAXINKSA-N 2 1 362.474 0.010 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084832988 1258378809 /nfs/dbraw/zinc/37/88/09/1258378809.db2.gz JBWXJPMVARDXBQ-BZUAXINKSA-N 2 1 355.446 0.503 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084832988 1258378819 /nfs/dbraw/zinc/37/88/19/1258378819.db2.gz JBWXJPMVARDXBQ-BZUAXINKSA-N 2 1 355.446 0.503 20 0 FCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1)C1CC1 ZINC001084958826 1258469156 /nfs/dbraw/zinc/46/91/56/1258469156.db2.gz XTHIINHYBXOSAC-HYVNUMGLSA-N 2 1 363.506 0.275 20 0 FCADMP O=C(N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001084980780 1258493183 /nfs/dbraw/zinc/49/31/83/1258493183.db2.gz ZFJGRAWZTRNMSK-SJORKVTESA-N 2 1 358.490 0.829 20 0 FCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032727 1258534851 /nfs/dbraw/zinc/53/48/51/1258534851.db2.gz WUDABGAPOZOLQV-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032727 1258534855 /nfs/dbraw/zinc/53/48/55/1258534855.db2.gz WUDABGAPOZOLQV-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)[C@H]3C2)C1 ZINC001085032727 1258534859 /nfs/dbraw/zinc/53/48/59/1258534859.db2.gz WUDABGAPOZOLQV-JZXOWHBKSA-N 2 1 362.518 0.872 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093354 1258587558 /nfs/dbraw/zinc/58/75/58/1258587558.db2.gz UPNPRRYGLFOUBJ-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093354 1258587563 /nfs/dbraw/zinc/58/75/63/1258587563.db2.gz UPNPRRYGLFOUBJ-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCN4CCCC4=O)[C@H]3C2)C1 ZINC001085093354 1258587570 /nfs/dbraw/zinc/58/75/70/1258587570.db2.gz UPNPRRYGLFOUBJ-KURKYZTESA-N 2 1 362.518 0.873 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001521859260 1266195116 /nfs/dbraw/zinc/19/51/16/1266195116.db2.gz VYVRCAHYCYGEEK-INIZCTEOSA-N 2 1 353.511 0.762 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001085159363 1258611936 /nfs/dbraw/zinc/61/19/36/1258611936.db2.gz QVRVMDJKDNWIQN-ZACQAIPSSA-N 2 1 362.474 0.938 20 0 FCADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001085159363 1258611941 /nfs/dbraw/zinc/61/19/41/1258611941.db2.gz QVRVMDJKDNWIQN-ZACQAIPSSA-N 2 1 362.474 0.938 20 0 FCADMP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086734599 1258633269 /nfs/dbraw/zinc/63/32/69/1258633269.db2.gz MINRQQZYBMEIBP-ARFHVFGLSA-N 2 1 363.510 0.942 20 0 FCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172148 1258692639 /nfs/dbraw/zinc/69/26/39/1258692639.db2.gz YEXGEOMTYRIIIZ-IKGGRYGDSA-N 2 1 360.502 0.483 20 0 FCADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088201421 1258723478 /nfs/dbraw/zinc/72/34/78/1258723478.db2.gz BLMSDNCHECBJHL-MSOLQXFVSA-N 2 1 362.518 0.875 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088201726 1258724329 /nfs/dbraw/zinc/72/43/29/1258724329.db2.gz RCRCLPFXGGREBM-CVEARBPZSA-N 2 1 359.474 0.593 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088201726 1258724336 /nfs/dbraw/zinc/72/43/36/1258724336.db2.gz RCRCLPFXGGREBM-CVEARBPZSA-N 2 1 359.474 0.593 20 0 FCADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207917 1258729790 /nfs/dbraw/zinc/72/97/90/1258729790.db2.gz CFHIWBJXXOELNQ-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207917 1258729795 /nfs/dbraw/zinc/72/97/95/1258729795.db2.gz CFHIWBJXXOELNQ-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207917 1258729801 /nfs/dbraw/zinc/72/98/01/1258729801.db2.gz CFHIWBJXXOELNQ-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)C1 ZINC001088207917 1258729805 /nfs/dbraw/zinc/72/98/05/1258729805.db2.gz CFHIWBJXXOELNQ-RYRKJORJSA-N 2 1 362.474 0.984 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001088212873 1258736819 /nfs/dbraw/zinc/73/68/19/1258736819.db2.gz YAAWBNGISSAIKS-AOIWGVFYSA-N 2 1 364.534 0.975 20 0 FCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945452 1258767809 /nfs/dbraw/zinc/76/78/09/1258767809.db2.gz PZUAENIXANPPCB-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945452 1258767812 /nfs/dbraw/zinc/76/78/12/1258767812.db2.gz PZUAENIXANPPCB-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945452 1258767818 /nfs/dbraw/zinc/76/78/18/1258767818.db2.gz PZUAENIXANPPCB-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCCO)CC3(CCOCC3)C2)O1 ZINC001089945452 1258767821 /nfs/dbraw/zinc/76/78/21/1258767821.db2.gz PZUAENIXANPPCB-BRWVUGGUSA-N 2 1 369.506 0.075 20 0 FCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721027 1258818178 /nfs/dbraw/zinc/81/81/78/1258818178.db2.gz DSJDUAFAPXSIOQ-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721027 1258818187 /nfs/dbraw/zinc/81/81/87/1258818187.db2.gz DSJDUAFAPXSIOQ-HZPDHXFCSA-N 2 1 360.506 0.875 20 0 FCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724297 1258819223 /nfs/dbraw/zinc/81/92/23/1258819223.db2.gz KCXZDIUVZWDWFN-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724297 1258819238 /nfs/dbraw/zinc/81/92/38/1258819238.db2.gz KCXZDIUVZWDWFN-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724297 1258819253 /nfs/dbraw/zinc/81/92/53/1258819253.db2.gz KCXZDIUVZWDWFN-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP C[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724297 1258819264 /nfs/dbraw/zinc/81/92/64/1258819264.db2.gz KCXZDIUVZWDWFN-QBPKDAKJSA-N 2 1 366.506 0.012 20 0 FCADMP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725740 1258821148 /nfs/dbraw/zinc/82/11/48/1258821148.db2.gz YJMQGZLSJZAQJC-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725740 1258821154 /nfs/dbraw/zinc/82/11/54/1258821154.db2.gz YJMQGZLSJZAQJC-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725740 1258821156 /nfs/dbraw/zinc/82/11/56/1258821156.db2.gz YJMQGZLSJZAQJC-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCn1nncc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725740 1258821162 /nfs/dbraw/zinc/82/11/62/1258821162.db2.gz YJMQGZLSJZAQJC-KCYZZUKISA-N 2 1 364.494 0.201 20 0 FCADMP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663213 1258936082 /nfs/dbraw/zinc/93/60/82/1258936082.db2.gz WUUJQOKDEAINIP-BRWVUGGUSA-N 2 1 368.522 0.308 20 0 FCADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C)C(N)=O ZINC001106668896 1258938337 /nfs/dbraw/zinc/93/83/37/1258938337.db2.gz RRELYRBJGORLFH-HZSPNIEDSA-N 2 1 363.462 0.442 20 0 FCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106672287 1258938363 /nfs/dbraw/zinc/93/83/63/1258938363.db2.gz OHZTUXJCVLIYCU-ZIAGYGMSSA-N 2 1 366.510 0.270 20 0 FCADMP CCCC[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106767846 1258958214 /nfs/dbraw/zinc/95/82/14/1258958214.db2.gz WHEHMBCXIJVTGJ-ZACQAIPSSA-N 2 1 368.522 0.437 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106903981 1258993439 /nfs/dbraw/zinc/99/34/39/1258993439.db2.gz UKPIIASMVRSFMB-HZPDHXFCSA-N 2 1 366.506 0.551 20 0 FCADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107524302 1259107863 /nfs/dbraw/zinc/10/78/63/1259107863.db2.gz RPCUJWXVWWBSAU-VQIMIIECSA-N 2 1 365.522 0.714 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530715 1259108876 /nfs/dbraw/zinc/10/88/76/1259108876.db2.gz HYTUNAQTGRJZKI-RDTXWAMCSA-N 2 1 367.494 0.145 20 0 FCADMP COCCOC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530659 1259109050 /nfs/dbraw/zinc/10/90/50/1259109050.db2.gz FJUUJQHBPKYLSD-ZHALLVOQSA-N 2 1 371.522 0.323 20 0 FCADMP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579781 1259124754 /nfs/dbraw/zinc/12/47/54/1259124754.db2.gz OTUCXMLYCGIHQU-ZHALLVOQSA-N 2 1 369.506 0.077 20 0 FCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579781 1259124758 /nfs/dbraw/zinc/12/47/58/1259124758.db2.gz OTUCXMLYCGIHQU-ZHALLVOQSA-N 2 1 369.506 0.077 20 0 FCADMP Cn1nccc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609426 1259131874 /nfs/dbraw/zinc/13/18/74/1259131874.db2.gz RGBSBEZLCFUGFW-IEBWSBKVSA-N 2 1 363.506 0.859 20 0 FCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403525 1259158305 /nfs/dbraw/zinc/15/83/05/1259158305.db2.gz LLWDBOYNKJXJBK-PMPSAXMXSA-N 2 1 365.522 0.900 20 0 FCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403525 1259158308 /nfs/dbraw/zinc/15/83/08/1259158308.db2.gz LLWDBOYNKJXJBK-PMPSAXMXSA-N 2 1 365.522 0.900 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@H+]1C ZINC001127639229 1259182477 /nfs/dbraw/zinc/18/24/77/1259182477.db2.gz WPGNXSCGTNJZPB-HUUCEWRRSA-N 2 1 357.458 0.443 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCOCCC(C)C)CC[N@H+]1C ZINC001127706638 1259184731 /nfs/dbraw/zinc/18/47/31/1259184731.db2.gz POGRYZAIPVNESV-DLBZAZTESA-N 2 1 370.538 0.601 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2Cc2ccccc2)CC[N@@H+]1C ZINC001127705768 1259184850 /nfs/dbraw/zinc/18/48/50/1259184850.db2.gz FWMJCPYAIVYMNC-DLBZAZTESA-N 2 1 371.489 0.658 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnnn2Cc2ccccc2)CC[N@H+]1C ZINC001127705768 1259184854 /nfs/dbraw/zinc/18/48/54/1259184854.db2.gz FWMJCPYAIVYMNC-DLBZAZTESA-N 2 1 371.489 0.658 20 0 FCADMP CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001128012799 1259192094 /nfs/dbraw/zinc/19/20/94/1259192094.db2.gz RBRDAOAOFZGZHM-QLFBSQMISA-N 2 1 364.494 0.318 20 0 FCADMP CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001128012799 1259192101 /nfs/dbraw/zinc/19/21/01/1259192101.db2.gz RBRDAOAOFZGZHM-QLFBSQMISA-N 2 1 364.494 0.318 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001331603710 1266247519 /nfs/dbraw/zinc/24/75/19/1266247519.db2.gz IICHCLYYXOADIW-YJBOKZPZSA-N 2 1 372.469 0.521 20 0 FCADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001331603710 1266247529 /nfs/dbraw/zinc/24/75/29/1266247529.db2.gz IICHCLYYXOADIW-YJBOKZPZSA-N 2 1 372.469 0.521 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129205289 1259344335 /nfs/dbraw/zinc/34/43/35/1259344335.db2.gz SEKQJDLMUQUTHT-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204801 1259344807 /nfs/dbraw/zinc/34/48/07/1259344807.db2.gz KEQSTPFPDNEJDM-ZACQAIPSSA-N 2 1 364.494 0.388 20 0 FCADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228479 1259351324 /nfs/dbraw/zinc/35/13/24/1259351324.db2.gz URMLKWDUSCAYCF-ZACQAIPSSA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263043 1259358827 /nfs/dbraw/zinc/35/88/27/1259358827.db2.gz ZEYZPABVWUCFFR-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263043 1259358831 /nfs/dbraw/zinc/35/88/31/1259358831.db2.gz ZEYZPABVWUCFFR-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP COCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129263043 1259358839 /nfs/dbraw/zinc/35/88/39/1259358839.db2.gz ZEYZPABVWUCFFR-BBWFWOEESA-N 2 1 364.494 0.531 20 0 FCADMP CC(C)[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129265726 1259359183 /nfs/dbraw/zinc/35/91/83/1259359183.db2.gz CLXJEYMUDSDIRJ-BBWFWOEESA-N 2 1 364.494 0.529 20 0 FCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266743 1259359328 /nfs/dbraw/zinc/35/93/28/1259359328.db2.gz PZLGNAZSZMMIIY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266743 1259359332 /nfs/dbraw/zinc/35/93/32/1259359332.db2.gz PZLGNAZSZMMIIY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP CCOCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266743 1259359337 /nfs/dbraw/zinc/35/93/37/1259359337.db2.gz PZLGNAZSZMMIIY-BBWFWOEESA-N 2 1 364.494 0.388 20 0 FCADMP Cn1cnc2c1nc(NCC[NH+]1CCC([NH3+])CC1)nc2N1CCOCC1 ZINC001161867294 1259386993 /nfs/dbraw/zinc/38/69/93/1259386993.db2.gz OBJVKWKKLFYRIA-UHFFFAOYSA-N 2 1 360.466 0.035 20 0 FCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305616 1259399803 /nfs/dbraw/zinc/39/98/03/1259399803.db2.gz ZXGVFVGSDZZCMN-ARFHVFGLSA-N 2 1 365.522 0.711 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305616 1259399807 /nfs/dbraw/zinc/39/98/07/1259399807.db2.gz ZXGVFVGSDZZCMN-ARFHVFGLSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305616 1259399813 /nfs/dbraw/zinc/39/98/13/1259399813.db2.gz ZXGVFVGSDZZCMN-ARFHVFGLSA-N 2 1 365.522 0.711 20 0 FCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]21 ZINC001187305616 1259399816 /nfs/dbraw/zinc/39/98/16/1259399816.db2.gz ZXGVFVGSDZZCMN-ARFHVFGLSA-N 2 1 365.522 0.711 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)CC[N@H+]1C ZINC001200556281 1259418199 /nfs/dbraw/zinc/41/81/99/1259418199.db2.gz XACDZNIGQVPQQJ-YESZJQIVSA-N 2 1 364.494 0.216 20 0 FCADMP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCO1 ZINC001200729440 1259420552 /nfs/dbraw/zinc/42/05/52/1259420552.db2.gz NRPNAVCWAMXZKH-RBSFLKMASA-N 2 1 363.462 0.199 20 0 FCADMP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408095 1259493350 /nfs/dbraw/zinc/49/33/50/1259493350.db2.gz LZZJIUDIEDUFRB-BRWVUGGUSA-N 2 1 369.506 0.482 20 0 FCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416831 1259496709 /nfs/dbraw/zinc/49/67/09/1259496709.db2.gz UHUHEFXIPMZMLC-USXIJHARSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416831 1259496713 /nfs/dbraw/zinc/49/67/13/1259496713.db2.gz UHUHEFXIPMZMLC-USXIJHARSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416831 1259496726 /nfs/dbraw/zinc/49/67/26/1259496726.db2.gz UHUHEFXIPMZMLC-USXIJHARSA-N 2 1 366.506 0.202 20 0 FCADMP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430852 1259502244 /nfs/dbraw/zinc/50/22/44/1259502244.db2.gz ZADMUORJQOGTEF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430852 1259502248 /nfs/dbraw/zinc/50/22/48/1259502248.db2.gz ZADMUORJQOGTEF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430852 1259502254 /nfs/dbraw/zinc/50/22/54/1259502254.db2.gz ZADMUORJQOGTEF-KBAYOESNSA-N 2 1 363.506 0.652 20 0 FCADMP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436687 1259505756 /nfs/dbraw/zinc/50/57/56/1259505756.db2.gz FGEOYJNPKWSUTG-NUJGCVRESA-N 2 1 364.490 0.287 20 0 FCADMP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436687 1259505764 /nfs/dbraw/zinc/50/57/64/1259505764.db2.gz FGEOYJNPKWSUTG-NUJGCVRESA-N 2 1 364.490 0.287 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536228 1259534762 /nfs/dbraw/zinc/53/47/62/1259534762.db2.gz NHSYSPAZZJLXQB-RBSFLKMASA-N 2 1 367.494 0.143 20 0 FCADMP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCCO[C@@]3(CNCCOC3)C2)c1 ZINC001235198153 1259569340 /nfs/dbraw/zinc/56/93/40/1259569340.db2.gz CQRGOBNYYZTDTG-NRFANRHFSA-N 2 1 374.529 0.673 20 0 FCADMP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCCO[C@@]3(CNCCOC3)C2)c1 ZINC001235198153 1259569345 /nfs/dbraw/zinc/56/93/45/1259569345.db2.gz CQRGOBNYYZTDTG-NRFANRHFSA-N 2 1 374.529 0.673 20 0 FCADMP C[C@@H]([NH3+])CN1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001235490347 1259574071 /nfs/dbraw/zinc/57/40/71/1259574071.db2.gz MAKPXCAAJKZTDI-OXQOHEQNSA-N 2 1 357.502 0.833 20 0 FCADMP Cc1ncn(C)c1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001235543947 1259575332 /nfs/dbraw/zinc/57/53/32/1259575332.db2.gz UIEWZHFHKBIVMT-UHFFFAOYSA-N 2 1 363.506 0.731 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3cnc(O[C@H]4CCC[NH2+]C4)nc3)cn2)CC1 ZINC001235917543 1259585404 /nfs/dbraw/zinc/58/54/04/1259585404.db2.gz LDPHBONUQPOGEB-INIZCTEOSA-N 2 1 355.446 0.816 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3cccc(C(=O)N4CC[NH2+]CC4)c3)cn2)CC1 ZINC001235922506 1259585584 /nfs/dbraw/zinc/58/55/84/1259585584.db2.gz VFAWUHYWMWNCCP-UHFFFAOYSA-N 2 1 366.469 0.941 20 0 FCADMP C[NH+]1CCN(c2ncc(-c3cnc(OC4CC[NH2+]CC4)nc3)cn2)CC1 ZINC001235924164 1259586317 /nfs/dbraw/zinc/58/63/17/1259586317.db2.gz QYFCVPQFCXEDKR-UHFFFAOYSA-N 2 1 355.446 0.816 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cn(-c4cnccn4)cn3)C[C@H]1C2 ZINC001236036223 1259587706 /nfs/dbraw/zinc/58/77/06/1259587706.db2.gz UAAHZQRXYLPANO-DEWZPKMOSA-N 2 1 368.441 0.493 20 0 FCADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)[C@@H](O)[C@@H]2O1 ZINC001236552266 1259590500 /nfs/dbraw/zinc/59/05/00/1259590500.db2.gz FXVBEOIORXBCRQ-CHMHSJMSSA-N 2 1 370.490 0.975 20 0 FCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001335333772 1259609802 /nfs/dbraw/zinc/60/98/02/1259609802.db2.gz NOXDXHOLCALAOH-IRXDYDNUSA-N 2 1 368.522 0.801 20 0 FCADMP Cc1ncncc1C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001238168389 1259618023 /nfs/dbraw/zinc/61/80/23/1259618023.db2.gz HQUTWMPGOWJRHG-UHFFFAOYSA-N 2 1 353.474 0.928 20 0 FCADMP Cc1ncncc1C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001238168389 1259618033 /nfs/dbraw/zinc/61/80/33/1259618033.db2.gz HQUTWMPGOWJRHG-UHFFFAOYSA-N 2 1 353.474 0.928 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001335352401 1259621050 /nfs/dbraw/zinc/62/10/50/1259621050.db2.gz URLRIDFUUJNMTF-LSDHHAIUSA-N 2 1 351.495 0.228 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335385198 1259636064 /nfs/dbraw/zinc/63/60/64/1259636064.db2.gz XSFGCBLOTUFQJL-MRXNPFEDSA-N 2 1 353.511 0.808 20 0 FCADMP O[C@@H](CNC1(Cc2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245996384 1259644013 /nfs/dbraw/zinc/64/40/13/1259644013.db2.gz AJTTZGRWAQYBMX-GOSISDBHSA-N 2 1 365.493 0.946 20 0 FCADMP COC(=O)[C@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246234256 1259651161 /nfs/dbraw/zinc/65/11/61/1259651161.db2.gz UWHRZGWEPCUFDV-PXNSSMCTSA-N 2 1 358.486 0.488 20 0 FCADMP CCOC(=O)[C@@]12CN([C@H]3C[NH2+][C@](CC)(C(=O)OC)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246609871 1259655807 /nfs/dbraw/zinc/65/58/07/1259655807.db2.gz OZFSRJOICHYMMV-QXGSTGNESA-N 2 1 367.490 0.535 20 0 FCADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H]1CCN[C@H](C(=O)OCC)C1)CC[NH2+]CC2 ZINC001246605577 1259656819 /nfs/dbraw/zinc/65/68/19/1259656819.db2.gz VGBGVZWWVKNHLU-OWCLPIDISA-N 2 1 367.490 0.677 20 0 FCADMP COc1ccc(CN2CC[C@H]([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246585104 1259657268 /nfs/dbraw/zinc/65/72/68/1259657268.db2.gz OGWVKUMTICDRSA-ZOBUZTSGSA-N 2 1 363.458 0.446 20 0 FCADMP CCOC(=O)[C@@H]1CC2(CN1[C@H]1C[NH2+][C@](CC)(C(=O)OC)C1)CC[NH2+]CC2 ZINC001246610589 1259658312 /nfs/dbraw/zinc/65/83/12/1259658312.db2.gz PSNZRKINHWHHMM-VCBZYWHSSA-N 2 1 367.490 0.677 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679930 1259659209 /nfs/dbraw/zinc/65/92/09/1259659209.db2.gz RDKCEXWIVPOJMB-AEFFLSMTSA-N 3 1 364.534 0.820 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679930 1259659219 /nfs/dbraw/zinc/65/92/19/1259659219.db2.gz RDKCEXWIVPOJMB-AEFFLSMTSA-N 3 1 364.534 0.820 20 0 FCADMP O=C([C@@H]1CO[C@@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]2C1)N1CCCC1 ZINC001246694225 1259661800 /nfs/dbraw/zinc/66/18/00/1259661800.db2.gz MUNAWEPGWYJIRC-XLAORIBOSA-N 2 1 362.518 0.430 20 0 FCADMP c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)ccn1 ZINC001246697857 1259662378 /nfs/dbraw/zinc/66/23/78/1259662378.db2.gz SHFKHRIDJWTICL-FCGDIQPGSA-N 2 1 358.486 0.924 20 0 FCADMP O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711067 1259666789 /nfs/dbraw/zinc/66/67/89/1259666789.db2.gz YZCCVLXFNAJOIW-WRWLIDTKSA-N 2 1 374.485 0.471 20 0 FCADMP CC[C@@H]1[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001246719957 1259668928 /nfs/dbraw/zinc/66/89/28/1259668928.db2.gz LHUVMFJNKUOAQA-UWVAXJGDSA-N 2 1 364.534 0.962 20 0 FCADMP O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246737818 1259672171 /nfs/dbraw/zinc/67/21/71/1259672171.db2.gz KATDAMZNBXTZLE-LPHOPBHVSA-N 2 1 370.501 0.499 20 0 FCADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737596 1259672289 /nfs/dbraw/zinc/67/22/89/1259672289.db2.gz JLWGXBMQIBGTOX-YRXWBPOGSA-N 2 1 373.549 0.545 20 0 FCADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CC[NH2+]1 ZINC001246740571 1259674045 /nfs/dbraw/zinc/67/40/45/1259674045.db2.gz MTPOFOZSARAIMT-QRIFCXAISA-N 2 1 359.474 0.684 20 0 FCADMP O=C(C[C@H]1OC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12)NCC1CC1 ZINC001246738526 1259674229 /nfs/dbraw/zinc/67/42/29/1259674229.db2.gz MOFLDYLDGVOKNI-BRSBDYLESA-N 2 1 362.518 0.334 20 0 FCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001335478442 1259678432 /nfs/dbraw/zinc/67/84/32/1259678432.db2.gz SICUCWWYKKFGPZ-SFHVURJKSA-N 2 1 351.495 0.467 20 0 FCADMP c1ccc(COC[C@]23COC[C@H]2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246757795 1259682814 /nfs/dbraw/zinc/68/28/14/1259682814.db2.gz RTASKKHNPCXJDK-QRQLOZEOSA-N 2 1 358.486 0.641 20 0 FCADMP c1ncn2c1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1ccccn1)C2 ZINC001246763384 1259683712 /nfs/dbraw/zinc/68/37/12/1259683712.db2.gz BWEGRHNYBQFKIJ-DLBZAZTESA-N 2 1 368.485 0.883 20 0 FCADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762414 1259684066 /nfs/dbraw/zinc/68/40/66/1259684066.db2.gz BWMIJNFUNUYLJF-YECZKDOJSA-N 2 1 361.490 0.627 20 0 FCADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)C[NH2+]1 ZINC001246762414 1259684076 /nfs/dbraw/zinc/68/40/76/1259684076.db2.gz BWMIJNFUNUYLJF-YECZKDOJSA-N 2 1 361.490 0.627 20 0 FCADMP c1cncc(COC[C@]23COC[C@H]2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)c1 ZINC001246763919 1259684869 /nfs/dbraw/zinc/68/48/69/1259684869.db2.gz CSRPWHVQIGGRFN-GUDVDZBRSA-N 2 1 358.486 0.641 20 0 FCADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)C[C@H]1C2 ZINC001246856596 1259693657 /nfs/dbraw/zinc/69/36/57/1259693657.db2.gz FHNMVGSNRUQDOG-DBDULZNHSA-N 2 1 360.462 0.487 20 0 FCADMP CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335520630 1259695664 /nfs/dbraw/zinc/69/56/64/1259695664.db2.gz HUNARPMKMNDWFS-CWRNSKLLSA-N 2 1 351.495 0.463 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335566837 1259720062 /nfs/dbraw/zinc/72/00/62/1259720062.db2.gz ARWBMXPLAGIVCO-DARIXABFSA-N 3 1 361.534 0.985 20 0 FCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001335566837 1259720069 /nfs/dbraw/zinc/72/00/69/1259720069.db2.gz ARWBMXPLAGIVCO-DARIXABFSA-N 2 1 361.534 0.985 20 0 FCADMP COCC1(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC[NH2+]CC1 ZINC001335594954 1259733243 /nfs/dbraw/zinc/73/32/43/1259733243.db2.gz DCZKALBGESXEGH-CABCVRRESA-N 2 1 356.536 0.882 20 0 FCADMP O=C1C=CC(=O)N1CCOCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949477 1259812987 /nfs/dbraw/zinc/81/29/87/1259812987.db2.gz NXPNIBNCPBNLTC-HXUWFJFHSA-N 2 1 373.453 0.155 20 0 FCADMP O=C1C=CC(=O)N1CCOCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949477 1259812993 /nfs/dbraw/zinc/81/29/93/1259812993.db2.gz NXPNIBNCPBNLTC-HXUWFJFHSA-N 2 1 373.453 0.155 20 0 FCADMP C[NH+](C)CCN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931272 1259814015 /nfs/dbraw/zinc/81/40/15/1259814015.db2.gz JIWCGZYCINJWBX-OAQYLSRUSA-N 3 1 374.529 0.719 20 0 FCADMP COC(=O)[C@H](Cc1c[nH]cn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943230 1259814123 /nfs/dbraw/zinc/81/41/23/1259814123.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 1 358.442 0.720 20 0 FCADMP COC(=O)[C@H](Cc1cnc[nH]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943230 1259814127 /nfs/dbraw/zinc/81/41/27/1259814127.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 1 358.442 0.720 20 0 FCADMP COC(=O)[C@H](Cc1cnc[nH]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943230 1259814133 /nfs/dbraw/zinc/81/41/33/1259814133.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 1 358.442 0.720 20 0 FCADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001253185295 1259828131 /nfs/dbraw/zinc/82/81/31/1259828131.db2.gz FBNQHUUABORCKR-YRXWBPOGSA-N 2 1 367.534 0.800 20 0 FCADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001253203789 1259828846 /nfs/dbraw/zinc/82/88/46/1259828846.db2.gz LLZKWIDXEFIOLJ-HOTGVXAUSA-N 2 1 360.462 0.531 20 0 FCADMP CN(C)C(=O)N[C@@H]1COCCC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253391038 1259838622 /nfs/dbraw/zinc/83/86/22/1259838622.db2.gz VYVFNWVMDDQBHW-HZPDHXFCSA-N 2 1 370.538 0.878 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518817 1259887297 /nfs/dbraw/zinc/88/72/97/1259887297.db2.gz PGUUJTCMHKDVIY-SFHVURJKSA-N 3 1 365.566 0.641 20 0 FCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCCN(C)CC1)CC2 ZINC001254518817 1259887302 /nfs/dbraw/zinc/88/73/02/1259887302.db2.gz PGUUJTCMHKDVIY-SFHVURJKSA-N 2 1 365.566 0.641 20 0 FCADMP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001255433369 1259912774 /nfs/dbraw/zinc/91/27/74/1259912774.db2.gz IDCCWHMCZBNSIJ-HNNXBMFYSA-N 2 1 370.505 0.596 20 0 FCADMP C[N@H+]1CC[C@H](N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)C1 ZINC001255434893 1259913570 /nfs/dbraw/zinc/91/35/70/1259913570.db2.gz WYNXSWRPIVNTLI-IBGZPJMESA-N 2 1 364.534 0.726 20 0 FCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001336034941 1259953155 /nfs/dbraw/zinc/95/31/55/1259953155.db2.gz LSJFCAPBPHSNEI-ZACQAIPSSA-N 2 1 360.506 0.747 20 0 FCADMP CN(C)C(=O)CO[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H]2COC[C@H]12 ZINC001256860172 1259976537 /nfs/dbraw/zinc/97/65/37/1259976537.db2.gz WSHLZQQYWBBYBH-IPMKNSEASA-N 2 1 374.485 0.854 20 0 FCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336176022 1260026657 /nfs/dbraw/zinc/02/66/57/1260026657.db2.gz NZRKPNBUMARKFW-MRXNPFEDSA-N 2 1 368.522 0.897 20 0 FCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336176022 1260026665 /nfs/dbraw/zinc/02/66/65/1260026665.db2.gz NZRKPNBUMARKFW-MRXNPFEDSA-N 2 1 368.522 0.897 20 0 FCADMP CCOC(=O)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491711 1260054000 /nfs/dbraw/zinc/05/40/00/1260054000.db2.gz LNRFXWJADOIMJK-GVDBMIGSSA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)CC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491711 1260054011 /nfs/dbraw/zinc/05/40/11/1260054011.db2.gz LNRFXWJADOIMJK-GVDBMIGSSA-N 2 1 369.506 0.829 20 0 FCADMP CCOC(=O)CC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258491711 1260054022 /nfs/dbraw/zinc/05/40/22/1260054022.db2.gz LNRFXWJADOIMJK-GVDBMIGSSA-N 2 1 369.506 0.829 20 0 FCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001336270981 1260064414 /nfs/dbraw/zinc/06/44/14/1260064414.db2.gz IBAUGCVIAWQKGH-QOKNQOGYSA-N 2 1 360.458 0.608 20 0 FCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccco1 ZINC001261378309 1260128444 /nfs/dbraw/zinc/12/84/44/1260128444.db2.gz VLGIDOSJAWEUAL-OAHLLOKOSA-N 2 1 362.474 0.991 20 0 FCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001261383030 1260130775 /nfs/dbraw/zinc/13/07/75/1260130775.db2.gz BVIIERPLUSRWAE-OAHLLOKOSA-N 2 1 374.485 0.473 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]2C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC001331973664 1266310880 /nfs/dbraw/zinc/31/08/80/1266310880.db2.gz QQWHSJOQMVVDMR-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2CC[C@H]2C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC001331973664 1266310890 /nfs/dbraw/zinc/31/08/90/1266310890.db2.gz QQWHSJOQMVVDMR-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2CC[C@H]2C(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC001331973664 1266310903 /nfs/dbraw/zinc/31/09/03/1266310903.db2.gz QQWHSJOQMVVDMR-TVFCKZIOSA-N 2 1 364.534 0.929 20 0 FCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001336733953 1260211030 /nfs/dbraw/zinc/21/10/30/1260211030.db2.gz DBFZCAXZPSPPCB-DLBZAZTESA-N 2 1 367.538 0.947 20 0 FCADMP C[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H]1CC[NH3+] ZINC001336819696 1260230691 /nfs/dbraw/zinc/23/06/91/1260230691.db2.gz FQYRNWLZYZLKRI-HOCLYGCPSA-N 2 1 353.511 0.698 20 0 FCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001262067198 1260254596 /nfs/dbraw/zinc/25/45/96/1260254596.db2.gz VGQFQKFHRSUTGL-OWLYRPNTSA-N 2 1 358.486 0.867 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001336927377 1260256653 /nfs/dbraw/zinc/25/66/53/1260256653.db2.gz XYYDCQIWOPHETL-PKOBYXMFSA-N 2 1 365.522 0.321 20 0 FCADMP C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001337063177 1260298937 /nfs/dbraw/zinc/29/89/37/1260298937.db2.gz YYQYHZLXDMWBLW-CVEARBPZSA-N 2 1 351.495 0.324 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(CO)CC1 ZINC001337103859 1260310188 /nfs/dbraw/zinc/31/01/88/1260310188.db2.gz CYOGXXZZIQXPMM-GOSISDBHSA-N 2 1 354.539 0.565 20 0 FCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001337103859 1260310193 /nfs/dbraw/zinc/31/01/93/1260310193.db2.gz CYOGXXZZIQXPMM-GOSISDBHSA-N 3 1 354.539 0.565 20 0 FCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001337103859 1260310201 /nfs/dbraw/zinc/31/02/01/1260310201.db2.gz CYOGXXZZIQXPMM-GOSISDBHSA-N 3 1 354.539 0.565 20 0 FCADMP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001263943993 1260358968 /nfs/dbraw/zinc/35/89/68/1260358968.db2.gz LXMHFAIXMCQPFU-RRQGHBQHSA-N 2 1 360.462 0.544 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001272867054 1260519779 /nfs/dbraw/zinc/51/97/79/1260519779.db2.gz BSVZIQCYAXWDPW-UHFFFAOYSA-N 2 1 360.506 0.472 20 0 FCADMP C[NH+]1CCN(CC(=O)N2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001272867054 1260519782 /nfs/dbraw/zinc/51/97/82/1260519782.db2.gz BSVZIQCYAXWDPW-UHFFFAOYSA-N 2 1 360.506 0.472 20 0 FCADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCCC3)C[C@H](C1)O2 ZINC001273140317 1260606910 /nfs/dbraw/zinc/60/69/10/1260606910.db2.gz GOEFGHHEEXLURX-CEXWTWQISA-N 2 1 364.534 0.867 20 0 FCADMP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CCC[N@@H+](C)C2)C3)CC1 ZINC001273273732 1260647911 /nfs/dbraw/zinc/64/79/11/1260647911.db2.gz ZDEVTWQBTQADFN-JXXFODFXSA-N 2 1 362.518 0.729 20 0 FCADMP COCCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001278712948 1260720252 /nfs/dbraw/zinc/72/02/52/1260720252.db2.gz RVIMJKXYWWKTMX-HDICACEKSA-N 2 1 363.506 0.762 20 0 FCADMP COCCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001278712948 1260720254 /nfs/dbraw/zinc/72/02/54/1260720254.db2.gz RVIMJKXYWWKTMX-HDICACEKSA-N 2 1 363.506 0.762 20 0 FCADMP COCCn1cc(C[NH+]2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001278712948 1260720259 /nfs/dbraw/zinc/72/02/59/1260720259.db2.gz RVIMJKXYWWKTMX-HDICACEKSA-N 2 1 363.506 0.762 20 0 FCADMP O=C([C@H]1CC2CC[NH+]1CC2)N1CC2(C1)C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001279309130 1260834186 /nfs/dbraw/zinc/83/41/86/1260834186.db2.gz NXGOMNLADODNEB-CQSZACIVSA-N 2 1 359.430 0.016 20 0 FCADMP O=C1NC2(CC[NH+](Cc3cc[nH]c3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279309693 1260834964 /nfs/dbraw/zinc/83/49/64/1260834964.db2.gz JFOGWCWSXHAZAK-IRXDYDNUSA-N 2 1 354.458 0.950 20 0 FCADMP C[NH+](C)CCN1CC[N@H+](Cc2cccc(=O)[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001279424687 1260867116 /nfs/dbraw/zinc/86/71/16/1260867116.db2.gz ZXIDGRVZRWSTFZ-IBGZPJMESA-N 2 1 361.490 0.505 20 0 FCADMP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(=O)[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001279424687 1260867124 /nfs/dbraw/zinc/86/71/24/1260867124.db2.gz ZXIDGRVZRWSTFZ-IBGZPJMESA-N 2 1 361.490 0.505 20 0 FCADMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC001279466566 1260874089 /nfs/dbraw/zinc/87/40/89/1260874089.db2.gz ADGDELIDCMAKMD-GVDBMIGSSA-N 2 1 367.490 0.298 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CN(CC(=O)N(C)C)CCO3)C2)CC1 ZINC001279498825 1260879947 /nfs/dbraw/zinc/87/99/47/1260879947.db2.gz PXUYMMIAWVNVJV-HXUWFJFHSA-N 2 1 366.550 0.973 20 0 FCADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ncnn2C)CC1 ZINC001279499153 1260880002 /nfs/dbraw/zinc/88/00/02/1260880002.db2.gz VQQLUZPCGPZKOR-IYBDPMFKSA-N 2 1 362.478 0.072 20 0 FCADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ncnn2C)CC1 ZINC001279499412 1260880190 /nfs/dbraw/zinc/88/01/90/1260880190.db2.gz YOROGHYMZBEDGK-CVEARBPZSA-N 2 1 362.478 0.072 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc5c(n4)OCCO5)CC3)[C@@H]2C1 ZINC001279527311 1260884516 /nfs/dbraw/zinc/88/45/16/1260884516.db2.gz WRBCGPMWCSXTIJ-HUUCEWRRSA-N 2 1 358.442 0.495 20 0 FCADMP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc5c(n4)OCCO5)CC3)[C@@H]2C1 ZINC001279527311 1260884518 /nfs/dbraw/zinc/88/45/18/1260884518.db2.gz WRBCGPMWCSXTIJ-HUUCEWRRSA-N 2 1 358.442 0.495 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc5c(n4)OCCO5)CC3)[C@@H]2C1 ZINC001279527311 1260884522 /nfs/dbraw/zinc/88/45/22/1260884522.db2.gz WRBCGPMWCSXTIJ-HUUCEWRRSA-N 2 1 358.442 0.495 20 0 FCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CCO1 ZINC001332268491 1266368134 /nfs/dbraw/zinc/36/81/34/1266368134.db2.gz YROGIOZSBKTVDM-WBAXXEDZSA-N 2 1 374.485 0.377 20 0 FCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CCO1 ZINC001332268491 1266368144 /nfs/dbraw/zinc/36/81/44/1266368144.db2.gz YROGIOZSBKTVDM-WBAXXEDZSA-N 2 1 374.485 0.377 20 0 FCADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001279616790 1260899998 /nfs/dbraw/zinc/89/99/98/1260899998.db2.gz QKMQMVANKLZNLM-UHFFFAOYSA-N 2 1 354.414 0.728 20 0 FCADMP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H]4CCCOC4)CC3)[C@@H]2C1 ZINC001279617953 1260901383 /nfs/dbraw/zinc/90/13/83/1260901383.db2.gz NKNNPMNXAICUJJ-RCCFBDPRSA-N 2 1 364.534 0.487 20 0 FCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC001332271247 1266369028 /nfs/dbraw/zinc/36/90/28/1266369028.db2.gz SLNGYNRSWIXEEG-DLBZAZTESA-N 2 1 368.522 0.450 20 0 FCADMP COCCC[N@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001280096605 1261001585 /nfs/dbraw/zinc/00/15/85/1261001585.db2.gz PSEIRNDUDTVCRA-AWEZNQCLSA-N 2 1 364.494 0.385 20 0 FCADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)[C@H]2C1 ZINC001280105308 1261004872 /nfs/dbraw/zinc/00/48/72/1261004872.db2.gz ZUSOXWXEQVBYST-GJZGRUSLSA-N 2 1 356.474 0.723 20 0 FCADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)[C@H]2C1 ZINC001280105308 1261004873 /nfs/dbraw/zinc/00/48/73/1261004873.db2.gz ZUSOXWXEQVBYST-GJZGRUSLSA-N 2 1 356.474 0.723 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4nccc(NCC5CC5)n4)CC3)[C@@H]2C1 ZINC001280117695 1261008203 /nfs/dbraw/zinc/00/82/03/1261008203.db2.gz LAYUFQDBUZORAK-HUUCEWRRSA-N 2 1 356.474 0.945 20 0 FCADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4nc(NCC5CC5)cc[nH+]4)CC3)[C@@H]2C1 ZINC001280117695 1261008208 /nfs/dbraw/zinc/00/82/08/1261008208.db2.gz LAYUFQDBUZORAK-HUUCEWRRSA-N 2 1 356.474 0.945 20 0 FCADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4nc(NCC5CC5)cc[nH+]4)CC3)[C@@H]2C1 ZINC001280117695 1261008212 /nfs/dbraw/zinc/00/82/12/1261008212.db2.gz LAYUFQDBUZORAK-HUUCEWRRSA-N 2 1 356.474 0.945 20 0 FCADMP Cn1nccc1CNC(=O)[C@@H]1CCC2(C[NH+](CC3CC[NH+](C)CC3)C2)O1 ZINC001280125907 1261010766 /nfs/dbraw/zinc/01/07/66/1261010766.db2.gz OTGJWGAKUSMJIV-KRWDZBQOSA-N 2 1 361.490 0.612 20 0 FCADMP CN(C)C(=O)CNC(=O)C[C@@H]1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2O1 ZINC001280126287 1261011870 /nfs/dbraw/zinc/01/18/70/1261011870.db2.gz WDZJIGVXCPHAFC-IKGGRYGDSA-N 2 1 366.506 0.012 20 0 FCADMP Cn1cnc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C(=O)N2CCCCO2)c1 ZINC001280134272 1261012746 /nfs/dbraw/zinc/01/27/46/1261012746.db2.gz BHQUCAYAILLKIN-IAGOWNOFSA-N 2 1 361.490 0.989 20 0 FCADMP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001280213802 1261035225 /nfs/dbraw/zinc/03/52/25/1261035225.db2.gz SDGQJVONQIAVPB-MHORFTMASA-N 2 1 362.518 0.905 20 0 FCADMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280221689 1261038968 /nfs/dbraw/zinc/03/89/68/1261038968.db2.gz ZWLIZJOMJGZUCD-IRXDYDNUSA-N 2 1 368.522 0.071 20 0 FCADMP Cn1cncc1C[NH+]1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280290892 1261048982 /nfs/dbraw/zinc/04/89/82/1261048982.db2.gz GLQBNVHPFQTXOT-KRWDZBQOSA-N 2 1 361.490 0.469 20 0 FCADMP COC[C@H](O)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001281292889 1261107798 /nfs/dbraw/zinc/10/77/98/1261107798.db2.gz IJOUXYJOQHNHKA-NIKGAXFTSA-N 2 1 361.486 0.966 20 0 FCADMP COC[C@H](O)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001281292889 1261107800 /nfs/dbraw/zinc/10/78/00/1261107800.db2.gz IJOUXYJOQHNHKA-NIKGAXFTSA-N 2 1 361.486 0.966 20 0 FCADMP COC[C@H](O)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001281292889 1261107804 /nfs/dbraw/zinc/10/78/04/1261107804.db2.gz IJOUXYJOQHNHKA-NIKGAXFTSA-N 2 1 361.486 0.966 20 0 FCADMP CO[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001281841475 1261225602 /nfs/dbraw/zinc/22/56/02/1261225602.db2.gz BKZHRDWNISRTHZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001281841475 1261225605 /nfs/dbraw/zinc/22/56/05/1261225605.db2.gz BKZHRDWNISRTHZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001281841475 1261225609 /nfs/dbraw/zinc/22/56/09/1261225609.db2.gz BKZHRDWNISRTHZ-DJIMGWMZSA-N 2 1 366.506 0.155 20 0 FCADMP CC(C)[N@H+](C)CC1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001332505201 1266417370 /nfs/dbraw/zinc/41/73/70/1266417370.db2.gz JSSAOEGFUFXLMU-UHFFFAOYSA-N 2 1 365.526 0.952 20 0 FCADMP CC(C)[N@@H+](C)CC1CCN(c2nnnn2CCC[NH+]2CCOCC2)CC1 ZINC001332505201 1266417377 /nfs/dbraw/zinc/41/73/77/1266417377.db2.gz JSSAOEGFUFXLMU-UHFFFAOYSA-N 2 1 365.526 0.952 20 0 FCADMP C[C@@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC001332499176 1266417887 /nfs/dbraw/zinc/41/78/87/1266417887.db2.gz TWRUVIOFWQWZSD-INIZCTEOSA-N 2 1 363.510 0.706 20 0 FCADMP C[C@@H]1CN(c2nnnn2CCC[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC001332499176 1266417895 /nfs/dbraw/zinc/41/78/95/1266417895.db2.gz TWRUVIOFWQWZSD-INIZCTEOSA-N 2 1 363.510 0.706 20 0 FCADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001345100684 1261634952 /nfs/dbraw/zinc/63/49/52/1261634952.db2.gz VCMJJPLAUHWATJ-MRXNPFEDSA-N 2 1 358.442 0.804 20 0 FCADMP CC(C)[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285327759 1261831512 /nfs/dbraw/zinc/83/15/12/1261831512.db2.gz TYBWAVAOOXOEAO-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CC(C)[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285327759 1261831516 /nfs/dbraw/zinc/83/15/16/1261831516.db2.gz TYBWAVAOOXOEAO-ZACQAIPSSA-N 2 1 368.522 0.306 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001289135461 1262121870 /nfs/dbraw/zinc/12/18/70/1262121870.db2.gz OYOPFPXOTBRDTC-HZPDHXFCSA-N 2 1 366.506 0.035 20 0 FCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289719740 1262322437 /nfs/dbraw/zinc/32/24/37/1262322437.db2.gz CWFMFSGSKZARLQ-IKGGRYGDSA-N 2 1 368.522 0.279 20 0 FCADMP C[NH+](C)[C@]1(C(=O)N2CC([NH2+]C3CCOCC3)C2)COc2ccccc2C1 ZINC001303646110 1263110802 /nfs/dbraw/zinc/11/08/02/1263110802.db2.gz LHERJNIZXCJQTM-FQEVSTJZSA-N 2 1 359.470 0.901 20 0 FCADMP [NH3+][C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCOCC2)C1 ZINC001580374048 1278184609 /nfs/dbraw/zinc/18/46/09/1278184609.db2.gz IZRHSZGIGKPZCX-HZPDHXFCSA-N 2 1 364.494 0.779 20 0 FCADMP CC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179179 1263176450 /nfs/dbraw/zinc/17/64/50/1263176450.db2.gz UWFVBYINQCBVQX-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179179 1263176455 /nfs/dbraw/zinc/17/64/55/1263176455.db2.gz UWFVBYINQCBVQX-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC001479179179 1263176462 /nfs/dbraw/zinc/17/64/62/1263176462.db2.gz UWFVBYINQCBVQX-ZWKOTPCHSA-N 2 1 367.538 0.519 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001479930924 1263417561 /nfs/dbraw/zinc/41/75/61/1263417561.db2.gz PLAHAIFUUSFZDK-SJLPKXTDSA-N 2 1 362.522 0.037 20 0 FCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001481706386 1263440697 /nfs/dbraw/zinc/44/06/97/1263440697.db2.gz VNKXKTRNCHBZLZ-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001481706386 1263440702 /nfs/dbraw/zinc/44/07/02/1263440702.db2.gz VNKXKTRNCHBZLZ-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)[C@@H](c2ccccc2)C1 ZINC001481706386 1263440706 /nfs/dbraw/zinc/44/07/06/1263440706.db2.gz VNKXKTRNCHBZLZ-QRVBRYPASA-N 2 1 361.486 0.531 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317462077 1263514291 /nfs/dbraw/zinc/51/42/91/1263514291.db2.gz ZDDZLHBQLLFQQW-JQHSSLGASA-N 2 1 360.502 0.857 20 0 FCADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317462077 1263514295 /nfs/dbraw/zinc/51/42/95/1263514295.db2.gz ZDDZLHBQLLFQQW-JQHSSLGASA-N 2 1 360.502 0.857 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317462077 1263514303 /nfs/dbraw/zinc/51/43/03/1263514303.db2.gz ZDDZLHBQLLFQQW-JQHSSLGASA-N 2 1 360.502 0.857 20 0 FCADMP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317462077 1263514309 /nfs/dbraw/zinc/51/43/09/1263514309.db2.gz ZDDZLHBQLLFQQW-JQHSSLGASA-N 2 1 360.502 0.857 20 0 FCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001318661796 1263596768 /nfs/dbraw/zinc/59/67/68/1263596768.db2.gz OZLQHSZCENPHHU-ZWKOTPCHSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318661796 1263596771 /nfs/dbraw/zinc/59/67/71/1263596771.db2.gz OZLQHSZCENPHHU-ZWKOTPCHSA-N 2 1 365.522 0.273 20 0 FCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318661796 1263596778 /nfs/dbraw/zinc/59/67/78/1263596778.db2.gz OZLQHSZCENPHHU-ZWKOTPCHSA-N 2 1 365.522 0.273 20 0 FCADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001318870963 1263620328 /nfs/dbraw/zinc/62/03/28/1263620328.db2.gz JZWZENBGRYDIQF-OKZBNKHCSA-N 2 1 367.538 0.565 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]C[C@@H](O)Cn3cccn3)CCCC2)CC[N@H+]1C ZINC001495161029 1263801870 /nfs/dbraw/zinc/80/18/70/1263801870.db2.gz SIVGLVIGVKPPDK-BRWVUGGUSA-N 2 1 363.506 0.603 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)[C@@H](c2ccccc2)C1 ZINC001497058373 1263914426 /nfs/dbraw/zinc/91/44/26/1263914426.db2.gz UYTSWNMJGIHHLF-KURKYZTESA-N 2 1 369.469 0.389 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)[C@@H](c2ccccc2)C1 ZINC001497058373 1263914434 /nfs/dbraw/zinc/91/44/34/1263914434.db2.gz UYTSWNMJGIHHLF-KURKYZTESA-N 2 1 369.469 0.389 20 0 FCADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001321344928 1263939943 /nfs/dbraw/zinc/93/99/43/1263939943.db2.gz XQIXCIZJMIJYOQ-CVEARBPZSA-N 2 1 362.474 0.943 20 0 FCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@H+]4CCC[C@H]4C3)n2)CC1 ZINC001321361506 1263944896 /nfs/dbraw/zinc/94/48/96/1263944896.db2.gz VGOFBGBFXNYYCJ-INIZCTEOSA-N 2 1 374.489 0.785 20 0 FCADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001498818906 1263990050 /nfs/dbraw/zinc/99/00/50/1263990050.db2.gz IIVLBSZOZUNBJC-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001498818906 1263990058 /nfs/dbraw/zinc/99/00/58/1263990058.db2.gz IIVLBSZOZUNBJC-HYVNUMGLSA-N 2 1 361.490 0.981 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580389747 1278215310 /nfs/dbraw/zinc/21/53/10/1278215310.db2.gz MRLCJCFMSXKEPI-FDYHWXHSSA-N 2 1 356.434 0.083 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCS(=O)(=O)CC3)CCC2)CC[N@H+]1C ZINC001501952413 1264157122 /nfs/dbraw/zinc/15/71/22/1264157122.db2.gz OSERUQSELYRUGB-GDBMZVCRSA-N 2 1 371.547 0.780 20 0 FCADMP CCOCc1nnc(N2CC[NH+](CC)[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503112653 1264194333 /nfs/dbraw/zinc/19/43/33/1264194333.db2.gz IXLJJEKCBFBZPQ-YJBOKZPZSA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001503112653 1264194338 /nfs/dbraw/zinc/19/43/38/1264194338.db2.gz IXLJJEKCBFBZPQ-YJBOKZPZSA-N 2 1 366.510 0.412 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001503112653 1264194343 /nfs/dbraw/zinc/19/43/43/1264194343.db2.gz IXLJJEKCBFBZPQ-YJBOKZPZSA-N 2 1 366.510 0.412 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001322732566 1264251622 /nfs/dbraw/zinc/25/16/22/1264251622.db2.gz HJFKRDGPXOTJQU-BRWVUGGUSA-N 2 1 368.522 0.448 20 0 FCADMP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001322767869 1264259470 /nfs/dbraw/zinc/25/94/70/1264259470.db2.gz SEYOVUGQDYURIC-ZDUSSCGKSA-N 2 1 363.462 0.414 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC001322960221 1264301806 /nfs/dbraw/zinc/30/18/06/1264301806.db2.gz ZBFGZUSHWWHVPF-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC001322960221 1264301817 /nfs/dbraw/zinc/30/18/17/1264301817.db2.gz ZBFGZUSHWWHVPF-OWCLPIDISA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC001322960220 1264301917 /nfs/dbraw/zinc/30/19/17/1264301917.db2.gz ZBFGZUSHWWHVPF-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC001322960220 1264301930 /nfs/dbraw/zinc/30/19/30/1264301930.db2.gz ZBFGZUSHWWHVPF-OAGGEKHMSA-N 2 1 368.522 0.279 20 0 FCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001324219865 1264599219 /nfs/dbraw/zinc/59/92/19/1264599219.db2.gz NYGGYWIHGJPMGP-UHFFFAOYSA-N 2 1 361.450 0.485 20 0 FCADMP CN(C)Cc1cc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)no1 ZINC001324615591 1264680100 /nfs/dbraw/zinc/68/01/00/1264680100.db2.gz FLUMNTNJKWOJER-MRXNPFEDSA-N 2 1 358.442 0.885 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]21 ZINC001512855494 1264697412 /nfs/dbraw/zinc/69/74/12/1264697412.db2.gz TWDHFTMAJMLNAS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001512855494 1264697416 /nfs/dbraw/zinc/69/74/16/1264697416.db2.gz TWDHFTMAJMLNAS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001512855494 1264697424 /nfs/dbraw/zinc/69/74/24/1264697424.db2.gz TWDHFTMAJMLNAS-IXDOHACOSA-N 2 1 350.507 0.729 20 0 FCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H]1n1ccnc1 ZINC001324907601 1264733775 /nfs/dbraw/zinc/73/37/75/1264733775.db2.gz SPRHKNCKBWJTST-BRWVUGGUSA-N 2 1 359.474 0.989 20 0 FCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001325424682 1264882708 /nfs/dbraw/zinc/88/27/08/1264882708.db2.gz VZIVGHULVYENPR-MRXNPFEDSA-N 2 1 358.486 0.952 20 0 FCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001326039030 1265050969 /nfs/dbraw/zinc/05/09/69/1265050969.db2.gz RQVNASOOVNCHLL-GOSISDBHSA-N 2 1 358.486 0.850 20 0 FCADMP [NH3+][C@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001580415624 1278263599 /nfs/dbraw/zinc/26/35/99/1278263599.db2.gz YEWXBQRDDQXTFW-OWCLPIDISA-N 2 1 364.494 0.166 20 0 FCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001333263856 1266566842 /nfs/dbraw/zinc/56/68/42/1266566842.db2.gz ZXEBCADPKZNPNG-AZUAARDMSA-N 2 1 372.513 0.786 20 0 FCADMP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC001333282380 1266570148 /nfs/dbraw/zinc/57/01/48/1266570148.db2.gz RCMBHZXMIYTBID-GOSISDBHSA-N 2 1 357.502 0.752 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001333336470 1266582003 /nfs/dbraw/zinc/58/20/03/1266582003.db2.gz NUQWICIZDMKQQY-HNNXBMFYSA-N 2 1 362.478 0.056 20 0 FCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001333437939 1266602729 /nfs/dbraw/zinc/60/27/29/1266602729.db2.gz HKLGVTKFOZQEFM-CALCHBBNSA-N 2 1 368.522 0.437 20 0 FCADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC001333620241 1266653306 /nfs/dbraw/zinc/65/33/06/1266653306.db2.gz XSBAZPUQJZAJCY-KURKYZTESA-N 2 1 367.538 0.552 20 0 FCADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001333626635 1266656365 /nfs/dbraw/zinc/65/63/65/1266656365.db2.gz SZWBYHNRXJSMDB-UONOGXRCSA-N 2 1 367.519 0.006 20 0 FCADMP COC(=O)c1ncoc1CCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001333681892 1266675498 /nfs/dbraw/zinc/67/54/98/1266675498.db2.gz FJEFTQSOHXVYNE-CYBMUJFWSA-N 2 1 364.446 0.679 20 0 FCADMP COC(=O)c1ncoc1CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333681892 1266675505 /nfs/dbraw/zinc/67/55/05/1266675505.db2.gz FJEFTQSOHXVYNE-CYBMUJFWSA-N 2 1 364.446 0.679 20 0 FCADMP C[NH2+][C@@H](C(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC001524369792 1266702623 /nfs/dbraw/zinc/70/26/23/1266702623.db2.gz ZIJUBDZIDFLOFL-LJQANCHMSA-N 2 1 370.501 0.791 20 0 FCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001334006130 1266774153 /nfs/dbraw/zinc/77/41/53/1266774153.db2.gz SNBAOXIKCLOLFB-QBPKDAKJSA-N 2 1 350.507 0.953 20 0 FCADMP CSC1(CNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC[NH+](C)CC1 ZINC001527877060 1266931587 /nfs/dbraw/zinc/93/15/87/1266931587.db2.gz AEAQTRMZKBLYEC-UHFFFAOYSA-N 2 1 372.535 0.562 20 0 FCADMP CSC1(CNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC[NH+](C)CC1 ZINC001527877060 1266931594 /nfs/dbraw/zinc/93/15/94/1266931594.db2.gz AEAQTRMZKBLYEC-UHFFFAOYSA-N 2 1 372.535 0.562 20 0 FCADMP C[C@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@@H](C)C1 ZINC001527878058 1266932958 /nfs/dbraw/zinc/93/29/58/1266932958.db2.gz LKAFRLTXSRQLOL-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+]1CCC[C@@H](C)C1 ZINC001527878058 1266932967 /nfs/dbraw/zinc/93/29/67/1266932967.db2.gz LKAFRLTXSRQLOL-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC001527878058 1266932976 /nfs/dbraw/zinc/93/29/76/1266932976.db2.gz LKAFRLTXSRQLOL-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H](CNC(=O)NCC[NH+]1CCC2(C1)OCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC001527878058 1266932984 /nfs/dbraw/zinc/93/29/84/1266932984.db2.gz LKAFRLTXSRQLOL-HZPDHXFCSA-N 2 1 354.495 0.855 20 0 FCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580448246 1278310932 /nfs/dbraw/zinc/31/09/32/1278310932.db2.gz LQEBHGOPMDQGIM-XUXIUFHCSA-N 2 1 370.461 0.473 20 0 FCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNc2ccccc2C(N)=O)CC1 ZINC001542206360 1267491107 /nfs/dbraw/zinc/49/11/07/1267491107.db2.gz NBYXPNBNSVBVEI-UHFFFAOYSA-N 2 1 368.441 0.983 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC001542356224 1267494990 /nfs/dbraw/zinc/49/49/90/1267494990.db2.gz GDBNGQLFDPXURX-UYTYNIKBSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC001542356224 1267494992 /nfs/dbraw/zinc/49/49/92/1267494992.db2.gz GDBNGQLFDPXURX-UYTYNIKBSA-N 2 1 353.507 0.932 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572263 1267500566 /nfs/dbraw/zinc/50/05/66/1267500566.db2.gz JSZCZHAUKCKISE-HUUCEWRRSA-N 2 1 354.495 0.107 20 0 FCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC001549215087 1267858334 /nfs/dbraw/zinc/85/83/34/1267858334.db2.gz UQNBBNGUTYVHPS-PMPSAXMXSA-N 2 1 352.479 0.389 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC001549221443 1267862048 /nfs/dbraw/zinc/86/20/48/1267862048.db2.gz TZSYNWGWMFMLNQ-MSOLQXFVSA-N 2 1 373.501 0.595 20 0 FCADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC001549347935 1267903572 /nfs/dbraw/zinc/90/35/72/1267903572.db2.gz GVQUQAQZKMDDJQ-IXDOHACOSA-N 2 1 366.506 0.602 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@H]32)C1 ZINC001549897048 1268014709 /nfs/dbraw/zinc/01/47/09/1268014709.db2.gz BYRXHTNYOLJJPJ-KCITZHQASA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@H]32)C1 ZINC001549897048 1268014720 /nfs/dbraw/zinc/01/47/20/1268014720.db2.gz BYRXHTNYOLJJPJ-KCITZHQASA-N 2 1 367.534 0.941 20 0 FCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3[C@@H](O)C(C)(C)[C@H]32)C1 ZINC001549897048 1268014729 /nfs/dbraw/zinc/01/47/29/1268014729.db2.gz BYRXHTNYOLJJPJ-KCITZHQASA-N 2 1 367.534 0.941 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC001550005404 1268046219 /nfs/dbraw/zinc/04/62/19/1268046219.db2.gz SGTSRMUYVASCDD-SQNIBIBYSA-N 2 1 374.533 0.865 20 0 FCADMP CCN1CC[NH+](CCC(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113309 1268076871 /nfs/dbraw/zinc/07/68/71/1268076871.db2.gz QVRDEXJDXXGSKH-RTBURBONSA-N 2 1 360.502 0.976 20 0 FCADMP Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n1 ZINC001550366204 1268108200 /nfs/dbraw/zinc/10/82/00/1268108200.db2.gz CDWBEPGJYCOQEB-SOLBZPMBSA-N 2 1 374.533 0.580 20 0 FCADMP O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC001550387232 1268109196 /nfs/dbraw/zinc/10/91/96/1268109196.db2.gz AHTMCHKGUJGPLR-CPLYBDICSA-N 2 1 365.518 0.981 20 0 FCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC001550477140 1268124287 /nfs/dbraw/zinc/12/42/87/1268124287.db2.gz NRQKRFHTQYJWIL-DMUMMCEESA-N 2 1 365.518 0.693 20 0 FCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N3C[C@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC001550567949 1268134188 /nfs/dbraw/zinc/13/41/88/1268134188.db2.gz BTFAVEVAZMRZKN-BAMLVTLESA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@H+](C)C[C@H]4C3)C[C@H]2C1 ZINC001550567949 1268134190 /nfs/dbraw/zinc/13/41/90/1268134190.db2.gz BTFAVEVAZMRZKN-BAMLVTLESA-N 2 1 374.529 0.443 20 0 FCADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4CC[N@@H+](C)C[C@H]4C3)C[C@H]2C1 ZINC001550567949 1268134193 /nfs/dbraw/zinc/13/41/93/1268134193.db2.gz BTFAVEVAZMRZKN-BAMLVTLESA-N 2 1 374.529 0.443 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550725088 1268155560 /nfs/dbraw/zinc/15/55/60/1268155560.db2.gz YYJSVBBREHZILA-OIDVLUPKSA-N 2 1 361.490 0.781 20 0 FCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550725085 1268155769 /nfs/dbraw/zinc/15/57/69/1268155769.db2.gz YYJSVBBREHZILA-CRCOGDFISA-N 2 1 361.490 0.781 20 0 FCADMP [NH3+]Cc1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001550730803 1268157760 /nfs/dbraw/zinc/15/77/60/1268157760.db2.gz JDSBJBUYGWNJOA-UHFFFAOYSA-N 2 1 362.474 0.826 20 0 FCADMP C[N@@H+]1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)C[C@H]2C[C@H]1CO ZINC001550745791 1268160382 /nfs/dbraw/zinc/16/03/82/1268160382.db2.gz UKSMAAIMJOBTIL-SPOLIRPYSA-N 2 1 358.486 0.839 20 0 FCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@@H]2F)C1 ZINC001550752734 1268162062 /nfs/dbraw/zinc/16/20/62/1268162062.db2.gz VRBABNAVJMSNEF-IXDOHACOSA-N 2 1 350.438 0.805 20 0 FCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@@H]2F)C1 ZINC001550752734 1268162065 /nfs/dbraw/zinc/16/20/65/1268162065.db2.gz VRBABNAVJMSNEF-IXDOHACOSA-N 2 1 350.438 0.805 20 0 FCADMP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001551099961 1268204538 /nfs/dbraw/zinc/20/45/38/1268204538.db2.gz KLTNRBPSSPTJSJ-RDGPPVDQSA-N 2 1 365.518 0.791 20 0 FCADMP C[C@H](C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001551163086 1268210417 /nfs/dbraw/zinc/21/04/17/1268210417.db2.gz RFFOKBNFARQKQQ-LRYGQEGESA-N 2 1 352.523 0.772 20 0 FCADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1C ZINC001551471753 1268257953 /nfs/dbraw/zinc/25/79/53/1268257953.db2.gz XCLJELFCLBWNGX-JYJNAYRXSA-N 2 1 354.495 0.242 20 0 FCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551558902 1268269851 /nfs/dbraw/zinc/26/98/51/1268269851.db2.gz FMICYOOFTQFFEE-OWQGQXMQSA-N 2 1 363.506 0.417 20 0 FCADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)C2)C1 ZINC001551560958 1268270867 /nfs/dbraw/zinc/27/08/67/1268270867.db2.gz IRJSCIYHMAFVQE-SUMDDJOVSA-N 2 1 363.506 0.370 20 0 FCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C ZINC001551592765 1268281195 /nfs/dbraw/zinc/28/11/95/1268281195.db2.gz MTRLFOZGINLESX-MMTVNHQJSA-N 2 1 351.495 0.415 20 0 FCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551595550 1268281621 /nfs/dbraw/zinc/28/16/21/1268281621.db2.gz RGPJSKSUOSDBOB-SOLBZPMBSA-N 2 1 365.522 0.615 20 0 FCADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC001339854658 1268349647 /nfs/dbraw/zinc/34/96/47/1268349647.db2.gz IPFGLNATURTLKA-RVKKMQEKSA-N 2 1 372.469 0.922 20 0 FCADMP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC001552014926 1268352316 /nfs/dbraw/zinc/35/23/16/1268352316.db2.gz XSRJGLNUPPNAHQ-ZBFHGGJFSA-N 2 1 364.494 0.881 20 0 FCADMP Cn1cc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]2[NH3+])cn1 ZINC001552093969 1268370729 /nfs/dbraw/zinc/37/07/29/1268370729.db2.gz CIPKZDZYNKABEO-HZPDHXFCSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cc([C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]2[NH3+])cn1 ZINC001552093969 1268370736 /nfs/dbraw/zinc/37/07/36/1268370736.db2.gz CIPKZDZYNKABEO-HZPDHXFCSA-N 2 1 374.514 0.976 20 0 FCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)C1 ZINC001552095462 1268372785 /nfs/dbraw/zinc/37/27/85/1268372785.db2.gz HIIJGEJXDPBHQM-IKGGRYGDSA-N 2 1 364.494 0.213 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)nn1 ZINC001552167553 1268399153 /nfs/dbraw/zinc/39/91/53/1268399153.db2.gz NWPDVSJGFUESPO-KLZNWCGWSA-N 2 1 362.478 0.065 20 0 FCADMP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)nn1 ZINC001552179594 1268404230 /nfs/dbraw/zinc/40/42/30/1268404230.db2.gz LPNQPXULWYSVAV-MWQQHZPXSA-N 2 1 362.478 0.065 20 0 FCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001552184382 1268404783 /nfs/dbraw/zinc/40/47/83/1268404783.db2.gz GEQGINCNPDCGAP-BEFAXECRSA-N 2 1 365.522 0.747 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552200549 1268408546 /nfs/dbraw/zinc/40/85/46/1268408546.db2.gz MCLMOJVTUQFGMI-OXQOHEQNSA-N 2 1 372.469 0.178 20 0 FCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)cn1 ZINC001552205174 1268409363 /nfs/dbraw/zinc/40/93/63/1268409363.db2.gz ZPJJHUVXGVUWHM-IEBWSBKVSA-N 2 1 361.490 0.563 20 0 FCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)cn1 ZINC001552205174 1268409365 /nfs/dbraw/zinc/40/93/65/1268409365.db2.gz ZPJJHUVXGVUWHM-IEBWSBKVSA-N 2 1 361.490 0.563 20 0 FCADMP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203363 1268409371 /nfs/dbraw/zinc/40/93/71/1268409371.db2.gz BAKMQMNZYFOORX-OXQOHEQNSA-N 2 1 373.501 0.819 20 0 FCADMP O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001552224106 1268415903 /nfs/dbraw/zinc/41/59/03/1268415903.db2.gz TYBWCRACPFKBGF-XMTFNYHQSA-N 2 1 366.506 0.527 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001552299774 1268436039 /nfs/dbraw/zinc/43/60/39/1268436039.db2.gz XVXUXAYATRRDHW-PKOBYXMFSA-N 2 1 358.486 0.960 20 0 FCADMP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001552299774 1268436043 /nfs/dbraw/zinc/43/60/43/1268436043.db2.gz XVXUXAYATRRDHW-PKOBYXMFSA-N 2 1 358.486 0.960 20 0 FCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC001340146806 1268449593 /nfs/dbraw/zinc/44/95/93/1268449593.db2.gz CLXFKPSRPDHZOD-GXTWGEPZSA-N 2 1 359.396 0.706 20 0 FCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC001552421428 1268460031 /nfs/dbraw/zinc/46/00/31/1268460031.db2.gz FHNAULKGIWHYEX-QZTJIDSGSA-N 2 1 352.523 0.630 20 0 FCADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2CNC(=O)[C@@H]2CCCC[NH2+]C2)cc[nH+]1 ZINC001552429441 1268461337 /nfs/dbraw/zinc/46/13/37/1268461337.db2.gz VUAKFPBBRMGQPC-RBSFLKMASA-N 2 1 364.469 0.965 20 0 FCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001552603498 1268486308 /nfs/dbraw/zinc/48/63/08/1268486308.db2.gz HPUDWDFNPXJENY-YYIAUSFCSA-N 2 1 363.510 0.895 20 0 FCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)C1 ZINC001552605505 1268488820 /nfs/dbraw/zinc/48/88/20/1268488820.db2.gz WXRUHBUWXMEVSX-BRWVUGGUSA-N 2 1 363.510 0.753 20 0 FCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)CC1 ZINC001552697869 1268524058 /nfs/dbraw/zinc/52/40/58/1268524058.db2.gz GJOYAMMGUNFTRX-INIZCTEOSA-N 2 1 360.506 0.729 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC001552705366 1268525133 /nfs/dbraw/zinc/52/51/33/1268525133.db2.gz QKDJRNPSQNMRII-MRXNPFEDSA-N 2 1 363.506 0.979 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC001552705366 1268525142 /nfs/dbraw/zinc/52/51/42/1268525142.db2.gz QKDJRNPSQNMRII-MRXNPFEDSA-N 2 1 363.506 0.979 20 0 FCADMP C[C@H](CNC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706576 1268525206 /nfs/dbraw/zinc/52/52/06/1268525206.db2.gz NKUCECZIMYDJON-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@H](CNC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC001552706576 1268525212 /nfs/dbraw/zinc/52/52/12/1268525212.db2.gz NKUCECZIMYDJON-NVXWUHKLSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707914 1268528576 /nfs/dbraw/zinc/52/85/76/1268528576.db2.gz ICFZNWCOLJWRMB-GVDBMIGSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2C)n1 ZINC001552707914 1268528583 /nfs/dbraw/zinc/52/85/83/1268528583.db2.gz ICFZNWCOLJWRMB-GVDBMIGSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC001552707914 1268528592 /nfs/dbraw/zinc/52/85/92/1268528592.db2.gz ICFZNWCOLJWRMB-GVDBMIGSSA-N 2 1 361.490 0.686 20 0 FCADMP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)n1 ZINC001552707914 1268528600 /nfs/dbraw/zinc/52/86/00/1268528600.db2.gz ICFZNWCOLJWRMB-GVDBMIGSSA-N 2 1 361.490 0.686 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001552712338 1268531649 /nfs/dbraw/zinc/53/16/49/1268531649.db2.gz SQUDGBPTCFTJSJ-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001552712338 1268531654 /nfs/dbraw/zinc/53/16/54/1268531654.db2.gz SQUDGBPTCFTJSJ-DOTOQJQBSA-N 2 1 363.506 0.837 20 0 FCADMP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC001552712907 1268532726 /nfs/dbraw/zinc/53/27/26/1268532726.db2.gz XZKATGIOSSGUTB-WUJZJPHMSA-N 2 1 363.506 0.979 20 0 FCADMP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC001552712907 1268532733 /nfs/dbraw/zinc/53/27/33/1268532733.db2.gz XZKATGIOSSGUTB-WUJZJPHMSA-N 2 1 363.506 0.979 20 0 FCADMP C[C@@H]1[C@@H](c2nnc(N3CC[C@@H](N4CC[NH+](C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774636 1268542611 /nfs/dbraw/zinc/54/26/11/1268542611.db2.gz MBYZIBMDDCFLEH-ZACQAIPSSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@@H](c2nnc(N3CC[C@@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@@H+]1C ZINC001552774636 1268542622 /nfs/dbraw/zinc/54/26/22/1268542622.db2.gz MBYZIBMDDCFLEH-ZACQAIPSSA-N 2 1 361.538 0.839 20 0 FCADMP C[C@@H]1[C@@H](c2nnc(N3CC[C@@H]([NH+]4CCN(C)CC4)C3)n2C)CCC[N@H+]1C ZINC001552774636 1268542628 /nfs/dbraw/zinc/54/26/28/1268542628.db2.gz MBYZIBMDDCFLEH-ZACQAIPSSA-N 2 1 361.538 0.839 20 0 FCADMP CN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC001552957737 1268569537 /nfs/dbraw/zinc/56/95/37/1268569537.db2.gz JEIATRPKBPQDQO-KURKYZTESA-N 2 1 365.522 0.175 20 0 FCADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001340636608 1268611043 /nfs/dbraw/zinc/61/10/43/1268611043.db2.gz PIPHXTINNXYRPS-OAHLLOKOSA-N 2 1 367.412 0.604 20 0 FCADMP Cc1c(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)c(=O)n(-c2ccccc2)n1C ZINC001553359517 1268637769 /nfs/dbraw/zinc/63/77/69/1268637769.db2.gz LWRIZGIWGLQGBH-QRWLVFNGSA-N 2 1 369.469 0.964 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553369178 1268638951 /nfs/dbraw/zinc/63/89/51/1268638951.db2.gz LLLAJDUUJTWELI-QFBILLFUSA-N 2 1 351.491 0.764 20 0 FCADMP C[N@H+]1CC[C@@]2(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C[NH2+]C[C@@H]2C1 ZINC001553388037 1268642835 /nfs/dbraw/zinc/64/28/35/1268642835.db2.gz DGYJKWOHBMPVPJ-AUUYWEPGSA-N 2 1 371.441 0.218 20 0 FCADMP C[N@H+]1CC[C@]2(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)C[NH2+]C[C@H]2C1 ZINC001553389247 1268642989 /nfs/dbraw/zinc/64/29/89/1268642989.db2.gz KXMPABRIJGBKTR-JXFKEZNVSA-N 2 1 372.469 0.639 20 0 FCADMP C[NH+]1CCN([C@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c2cccs2)CC1 ZINC001553414698 1268647445 /nfs/dbraw/zinc/64/74/45/1268647445.db2.gz FRKVIVSEDGGSKA-LVQVYYBASA-N 2 1 363.531 0.883 20 0 FCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@]([NH3+])(c3ccccc3)C2)CC1 ZINC001553426775 1268648359 /nfs/dbraw/zinc/64/83/59/1268648359.db2.gz LRPCCUPYJCCQLD-LJQANCHMSA-N 2 1 359.474 0.420 20 0 FCADMP Cn1cnc([C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])c1 ZINC001553435704 1268650219 /nfs/dbraw/zinc/65/02/19/1268650219.db2.gz LULDSSMQXPZIQB-GJZGRUSLSA-N 2 1 374.514 0.976 20 0 FCADMP Cn1cnc([C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]2[NH3+])c1 ZINC001553435704 1268650222 /nfs/dbraw/zinc/65/02/22/1268650222.db2.gz LULDSSMQXPZIQB-GJZGRUSLSA-N 2 1 374.514 0.976 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553448761 1268651673 /nfs/dbraw/zinc/65/16/73/1268651673.db2.gz CVVNRVAVFNMAEG-RCCFBDPRSA-N 2 1 365.522 0.034 20 0 FCADMP CN(C)c1cnc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1 ZINC001553521341 1268662656 /nfs/dbraw/zinc/66/26/56/1268662656.db2.gz QHEIMNNAOVCHSD-IYBDPMFKSA-N 2 1 373.505 0.653 20 0 FCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341746863 1269183680 /nfs/dbraw/zinc/18/36/80/1269183680.db2.gz FBUFZVASZZAOKF-HUUCEWRRSA-N 2 1 365.478 0.036 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001565975970 1269536864 /nfs/dbraw/zinc/53/68/64/1269536864.db2.gz MFKOSVDUFNUMSY-KGLIPLIRSA-N 2 1 352.483 0.167 20 0 FCADMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001566047192 1269579226 /nfs/dbraw/zinc/57/92/26/1269579226.db2.gz SHZJQACKLPCHBB-SJORKVTESA-N 2 1 362.518 0.873 20 0 FCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001566048240 1269580661 /nfs/dbraw/zinc/58/06/61/1269580661.db2.gz GRTWMSNJQJGNEJ-CVEARBPZSA-N 2 1 350.507 0.633 20 0 FCADMP COCCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001342857093 1269648087 /nfs/dbraw/zinc/64/80/87/1269648087.db2.gz YRZKAVXKRQZBMG-CQSZACIVSA-N 2 1 364.450 0.084 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnn(C)n1 ZINC001568195377 1269721928 /nfs/dbraw/zinc/72/19/28/1269721928.db2.gz CEXXWEPVPVVBSV-UAGQMJEPSA-N 2 1 371.489 0.397 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C[NH2+]Cc1nnn(C)n1 ZINC001568195377 1269721937 /nfs/dbraw/zinc/72/19/37/1269721937.db2.gz CEXXWEPVPVVBSV-UAGQMJEPSA-N 2 1 371.489 0.397 20 0 FCADMP C[N@@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC001568581679 1269741263 /nfs/dbraw/zinc/74/12/63/1269741263.db2.gz XSFFWJOBEPGVQJ-KSZLIROESA-N 2 1 358.442 0.587 20 0 FCADMP C[N@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)[C@@H](c2ccccc2)C1 ZINC001568581679 1269741268 /nfs/dbraw/zinc/74/12/68/1269741268.db2.gz XSFFWJOBEPGVQJ-KSZLIROESA-N 2 1 358.442 0.587 20 0 FCADMP Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n(C)n1 ZINC001569401531 1269781815 /nfs/dbraw/zinc/78/18/15/1269781815.db2.gz UPITWEKAGLKKBO-ZIAGYGMSSA-N 2 1 362.478 0.246 20 0 FCADMP Cc1ncc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001570414342 1269880557 /nfs/dbraw/zinc/88/05/57/1269880557.db2.gz SIFRYQVUKGCLSY-RHSMWYFYSA-N 2 1 361.490 0.568 20 0 FCADMP COC[C@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001570480012 1269889828 /nfs/dbraw/zinc/88/98/28/1269889828.db2.gz UEOASAUEHFXDFY-BRWVUGGUSA-N 2 1 369.506 0.027 20 0 FCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001343393812 1269893204 /nfs/dbraw/zinc/89/32/04/1269893204.db2.gz HLMKKNNKNFBVLW-IBGZPJMESA-N 2 1 360.458 0.517 20 0 FCADMP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001344032631 1270081787 /nfs/dbraw/zinc/08/17/87/1270081787.db2.gz OVPACSRSRUTWSO-MRXNPFEDSA-N 2 1 363.506 0.512 20 0 FCADMP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001344032631 1270081796 /nfs/dbraw/zinc/08/17/96/1270081796.db2.gz OVPACSRSRUTWSO-MRXNPFEDSA-N 2 1 363.506 0.512 20 0 FCADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1OC ZINC001572969908 1270427524 /nfs/dbraw/zinc/42/75/24/1270427524.db2.gz FXPKCBHKVPTWSW-ZIAGYGMSSA-N 2 1 351.451 0.026 20 0 FCADMP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580617778 1278571770 /nfs/dbraw/zinc/57/17/70/1278571770.db2.gz KAFHGYPWZQLEAD-OWCLPIDISA-N 2 1 353.463 0.877 20 0 FCADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574028271 1271009629 /nfs/dbraw/zinc/00/96/29/1271009629.db2.gz PMFAAWLNKWZCGR-IUODEOHRSA-N 2 1 358.450 0.188 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574255532 1271125092 /nfs/dbraw/zinc/12/50/92/1271125092.db2.gz PYZZZSLOVQGYLR-OAHLLOKOSA-N 2 1 358.450 0.331 20 0 FCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574260584 1271131109 /nfs/dbraw/zinc/13/11/09/1271131109.db2.gz NAUBHFBLLXDWBO-GFCCVEGCSA-N 2 1 363.441 0.940 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574261674 1271137136 /nfs/dbraw/zinc/13/71/36/1271137136.db2.gz KZTZNYRTIZWBBZ-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574261674 1271137141 /nfs/dbraw/zinc/13/71/41/1271137141.db2.gz KZTZNYRTIZWBBZ-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574261674 1271137144 /nfs/dbraw/zinc/13/71/44/1271137144.db2.gz KZTZNYRTIZWBBZ-INIZCTEOSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574264734 1271140927 /nfs/dbraw/zinc/14/09/27/1271140927.db2.gz LFOAWNAPBNGVTI-GASCZTMLSA-N 2 1 357.462 0.944 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574288936 1271164609 /nfs/dbraw/zinc/16/46/09/1271164609.db2.gz UXDYJZHKDKUWPD-CJNGLKHVSA-N 2 1 372.477 0.863 20 0 FCADMP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574365871 1271233633 /nfs/dbraw/zinc/23/36/33/1271233633.db2.gz MTOMVWCASGISLV-DZGCQCFKSA-N 2 1 372.477 0.578 20 0 FCADMP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574672664 1271476801 /nfs/dbraw/zinc/47/68/01/1271476801.db2.gz YBOCNQSYPIZCMM-CHWSQXEVSA-N 2 1 358.450 0.332 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786632 1271521304 /nfs/dbraw/zinc/52/13/04/1271521304.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574786632 1271521306 /nfs/dbraw/zinc/52/13/06/1271521306.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574786632 1271521311 /nfs/dbraw/zinc/52/13/11/1271521311.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 2 1 357.462 0.755 20 0 FCADMP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574786753 1271522853 /nfs/dbraw/zinc/52/28/53/1271522853.db2.gz XRLRGGOPEHXRLJ-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574786753 1271522858 /nfs/dbraw/zinc/52/28/58/1271522858.db2.gz XRLRGGOPEHXRLJ-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574786753 1271522861 /nfs/dbraw/zinc/52/28/61/1271522861.db2.gz XRLRGGOPEHXRLJ-BBRMVZONSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574786757 1271524130 /nfs/dbraw/zinc/52/41/30/1271524130.db2.gz XRLRGGOPEHXRLJ-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574786757 1271524139 /nfs/dbraw/zinc/52/41/39/1271524139.db2.gz XRLRGGOPEHXRLJ-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP C[C@H](C[NH+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574786757 1271524144 /nfs/dbraw/zinc/52/41/44/1271524144.db2.gz XRLRGGOPEHXRLJ-CZUORRHYSA-N 2 1 357.462 0.897 20 0 FCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574874715 1271628108 /nfs/dbraw/zinc/62/81/08/1271628108.db2.gz UPJLMKHEZGSDPR-IUODEOHRSA-N 2 1 358.450 0.473 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886023 1271646042 /nfs/dbraw/zinc/64/60/42/1271646042.db2.gz LYYGDYZXFNGARY-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886023 1271646046 /nfs/dbraw/zinc/64/60/46/1271646046.db2.gz LYYGDYZXFNGARY-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886023 1271646051 /nfs/dbraw/zinc/64/60/51/1271646051.db2.gz LYYGDYZXFNGARY-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574886023 1271646055 /nfs/dbraw/zinc/64/60/55/1271646055.db2.gz LYYGDYZXFNGARY-CJNGLKHVSA-N 2 1 373.461 0.134 20 0 FCADMP C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC001575062163 1271704902 /nfs/dbraw/zinc/70/49/02/1271704902.db2.gz INIBDTNQPFUHAD-MAUKXSAKSA-N 2 1 358.486 0.343 20 0 FCADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575161050 1271757583 /nfs/dbraw/zinc/75/75/83/1271757583.db2.gz URVBQJICFUVCCH-HUUCEWRRSA-N 2 1 352.479 0.938 20 0 FCADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001575249672 1271849946 /nfs/dbraw/zinc/84/99/46/1271849946.db2.gz KTHWOFQTYPTWRT-UHFFFAOYSA-N 2 1 355.527 0.424 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328778 1271942155 /nfs/dbraw/zinc/94/21/55/1271942155.db2.gz VKKLBMXBCQAJGH-JZXOWHBKSA-N 2 1 360.506 0.858 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328778 1271942168 /nfs/dbraw/zinc/94/21/68/1271942168.db2.gz VKKLBMXBCQAJGH-JZXOWHBKSA-N 2 1 360.506 0.858 20 0 FCADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@@H]2C1)[NH+]1CCCC1 ZINC001575328778 1271942171 /nfs/dbraw/zinc/94/21/71/1271942171.db2.gz VKKLBMXBCQAJGH-JZXOWHBKSA-N 2 1 360.506 0.858 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001575365830 1272007714 /nfs/dbraw/zinc/00/77/14/1272007714.db2.gz GPRWKQJVZJFDLI-LSDHHAIUSA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)([NH3+])Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001575365830 1272007720 /nfs/dbraw/zinc/00/77/20/1272007720.db2.gz GPRWKQJVZJFDLI-LSDHHAIUSA-N 2 1 364.494 0.778 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1cn[nH]n1 ZINC001575419875 1272075758 /nfs/dbraw/zinc/07/57/58/1272075758.db2.gz FVWZVEUAQKSYFF-JKSUJKDBSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419875 1272075768 /nfs/dbraw/zinc/07/57/68/1272075768.db2.gz FVWZVEUAQKSYFF-JKSUJKDBSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCc1c[nH]nn1 ZINC001575419875 1272075779 /nfs/dbraw/zinc/07/57/79/1272075779.db2.gz FVWZVEUAQKSYFF-JKSUJKDBSA-N 2 1 352.483 0.019 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575437703 1272106948 /nfs/dbraw/zinc/10/69/48/1272106948.db2.gz CJWOKJUXNPGRED-UONOGXRCSA-N 2 1 372.477 0.673 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565851 1272201201 /nfs/dbraw/zinc/20/12/01/1272201201.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565851 1272201205 /nfs/dbraw/zinc/20/12/05/1272201205.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 2 1 364.494 0.096 20 0 FCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565851 1272201210 /nfs/dbraw/zinc/20/12/10/1272201210.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 2 1 364.494 0.096 20 0 FCADMP CC(C)Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH3+] ZINC001575655070 1272265226 /nfs/dbraw/zinc/26/52/26/1272265226.db2.gz TWCRASZPRJIZEZ-HZPDHXFCSA-N 2 1 350.511 0.982 20 0 FCADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2Cc2ncn(C)n2)CC1 ZINC001575701053 1272319382 /nfs/dbraw/zinc/31/93/82/1272319382.db2.gz VLVUROUSNBMZDP-HNNXBMFYSA-N 2 1 373.509 0.800 20 0 FCADMP C[C@H](CC[NH3+])NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001575955130 1272594230 /nfs/dbraw/zinc/59/42/30/1272594230.db2.gz FNOZCGSTIZMGAF-CQSZACIVSA-N 2 1 357.499 0.966 20 0 FCADMP C[C@@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC001576030223 1272736989 /nfs/dbraw/zinc/73/69/89/1272736989.db2.gz VSYUWFNANMBTNJ-ABSDTBQOSA-N 2 1 358.486 0.692 20 0 FCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576113109 1272902380 /nfs/dbraw/zinc/90/23/80/1272902380.db2.gz AESGAJLEEVHMIQ-BETUJISGSA-N 2 1 358.450 0.687 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001576254787 1273037134 /nfs/dbraw/zinc/03/71/34/1273037134.db2.gz FTIOUOCLDWLPGF-ZFWWWQNUSA-N 2 1 372.477 0.673 20 0 FCADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCN(c3cnccn3)CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576382827 1273214426 /nfs/dbraw/zinc/21/44/26/1273214426.db2.gz DZIHGPZHFWXHDS-ZTFGCOKTSA-N 2 1 358.490 0.491 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2c[nH]nn2)C1 ZINC001576480503 1273320218 /nfs/dbraw/zinc/32/02/18/1273320218.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001576480503 1273320229 /nfs/dbraw/zinc/32/02/29/1273320229.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576480503 1273320239 /nfs/dbraw/zinc/32/02/39/1273320239.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576480503 1273320244 /nfs/dbraw/zinc/32/02/44/1273320244.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCc2cn[nH]n2)C1 ZINC001576480503 1273320247 /nfs/dbraw/zinc/32/02/47/1273320247.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001576480503 1273320259 /nfs/dbraw/zinc/32/02/59/1273320259.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CCC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576480503 1273320262 /nfs/dbraw/zinc/32/02/62/1273320262.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 2 1 352.483 0.022 20 0 FCADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576512034 1273388119 /nfs/dbraw/zinc/38/81/19/1273388119.db2.gz JDLDAWVXXREAKF-VVLHAWIVSA-N 2 1 369.473 0.753 20 0 FCADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576789380 1273684283 /nfs/dbraw/zinc/68/42/83/1273684283.db2.gz GENLPVQZHQIVER-CVEARBPZSA-N 2 1 357.462 0.945 20 0 FCADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576794616 1273698329 /nfs/dbraw/zinc/69/83/29/1273698329.db2.gz FCKFYVMWBRUPHP-CVEARBPZSA-N 2 1 357.462 0.803 20 0 FCADMP C[C@@H]1C[N@H+](CCCNC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)C[C@H](C)O1 ZINC001576801706 1273706665 /nfs/dbraw/zinc/70/66/65/1273706665.db2.gz UFEXDHVCOMCBIL-FCEWJHQRSA-N 2 1 353.507 0.887 20 0 FCADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1C[NH3+] ZINC001576801690 1273707517 /nfs/dbraw/zinc/70/75/17/1273707517.db2.gz SXCCCCVSWBCGOT-QWHCGFSZSA-N 2 1 354.476 0.579 20 0 FCADMP C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCOCC2)CC[NH2+]1 ZINC001576823896 1273745122 /nfs/dbraw/zinc/74/51/22/1273745122.db2.gz FCWWOGQICLIDBH-HNNXBMFYSA-N 2 1 374.493 0.199 20 0 FCADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576823433 1273745284 /nfs/dbraw/zinc/74/52/84/1273745284.db2.gz MNARFOGCLCTFGQ-JSGCOSHPSA-N 2 1 372.477 0.641 20 0 FCADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576825773 1273749126 /nfs/dbraw/zinc/74/91/26/1273749126.db2.gz WBJHLUMKOACUHU-ZDUSSCGKSA-N 2 1 360.466 0.639 20 0 FCADMP C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH2+]1 ZINC001576830548 1273756432 /nfs/dbraw/zinc/75/64/32/1273756432.db2.gz GYVGDLGROIMELG-VKJFTORMSA-N 2 1 364.494 0.037 20 0 FCADMP C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001576847200 1273792030 /nfs/dbraw/zinc/79/20/30/1273792030.db2.gz ZPRUWUVTTJYPIN-OWCLPIDISA-N 2 1 364.494 0.635 20 0 FCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCC[NH2+]2)n1CC(=O)N(C)C ZINC001576850004 1273800318 /nfs/dbraw/zinc/80/03/18/1273800318.db2.gz NZJPLQXRMWJPLR-ZNMIVQPWSA-N 2 1 361.494 0.464 20 0 FCADMP C[NH+]1CCC(OCC(=O)N2CCC[C@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001576884586 1273871071 /nfs/dbraw/zinc/87/10/71/1273871071.db2.gz XRWCKOKTIYCIRL-HNNXBMFYSA-N 2 1 350.467 0.039 20 0 FCADMP CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577444692 1274411195 /nfs/dbraw/zinc/41/11/95/1274411195.db2.gz CSJWELUECAPGKZ-IYOUNJFTSA-N 2 1 361.494 0.499 20 0 FCADMP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001577476660 1274432669 /nfs/dbraw/zinc/43/26/69/1274432669.db2.gz AKURROYGMXHVDZ-KBPBESRZSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577546799 1274486043 /nfs/dbraw/zinc/48/60/43/1274486043.db2.gz AWQUNTQZYCQKGK-UHFFFAOYSA-N 2 1 358.450 0.427 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577550911 1274490845 /nfs/dbraw/zinc/49/08/45/1274490845.db2.gz OMICRKCZXHANQN-SWLSCSKDSA-N 2 1 358.450 0.284 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577560816 1274508382 /nfs/dbraw/zinc/50/83/82/1274508382.db2.gz IHHDZDIJWOREFL-ZDUSSCGKSA-N 2 1 358.450 0.607 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001577565111 1274519618 /nfs/dbraw/zinc/51/96/18/1274519618.db2.gz ILKPTNAGFLEZOK-LBPRGKRZSA-N 2 1 363.441 0.942 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577565162 1274520044 /nfs/dbraw/zinc/52/00/44/1274520044.db2.gz LGSIJHZUFRZELL-SHTZXODSSA-N 2 1 357.462 0.945 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001577568523 1274525998 /nfs/dbraw/zinc/52/59/98/1274525998.db2.gz SWRHEEHCUMCAFX-BBRMVZONSA-N 2 1 372.477 0.674 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577573795 1274537419 /nfs/dbraw/zinc/53/74/19/1274537419.db2.gz BVFMGFUOLRXINE-CQSZACIVSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574121 1274537434 /nfs/dbraw/zinc/53/74/34/1274537434.db2.gz OUIWMCTYINFGPX-CYBMUJFWSA-N 2 1 360.466 0.641 20 0 FCADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577574355 1274540989 /nfs/dbraw/zinc/54/09/89/1274540989.db2.gz XGZKTHVLHCPUID-CYBMUJFWSA-N 2 1 360.466 0.641 20 0 FCADMP CCCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577604175 1274574260 /nfs/dbraw/zinc/57/42/60/1274574260.db2.gz NXQLWIXJKQOCIU-AWEZNQCLSA-N 2 1 372.477 0.936 20 0 FCADMP CCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577604175 1274574263 /nfs/dbraw/zinc/57/42/63/1274574263.db2.gz NXQLWIXJKQOCIU-AWEZNQCLSA-N 2 1 372.477 0.936 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577667152 1274685237 /nfs/dbraw/zinc/68/52/37/1274685237.db2.gz BGAKDSLUPGZGDD-BBRMVZONSA-N 2 1 372.477 0.722 20 0 FCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577669148 1274694227 /nfs/dbraw/zinc/69/42/27/1274694227.db2.gz OWBWOQIQWHBMKN-BBRMVZONSA-N 2 1 372.477 0.865 20 0 FCADMP CCN1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760586 1274843024 /nfs/dbraw/zinc/84/30/24/1274843024.db2.gz YKMOBTSPVLBDKF-ZNMIVQPWSA-N 2 1 351.451 0.047 20 0 FCADMP CCN1C[C@H](C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)OC1=O ZINC001577760586 1274843035 /nfs/dbraw/zinc/84/30/35/1274843035.db2.gz YKMOBTSPVLBDKF-ZNMIVQPWSA-N 2 1 351.451 0.047 20 0 FCADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001577763578 1274848172 /nfs/dbraw/zinc/84/81/72/1274848172.db2.gz FMAFDKLACIJTNN-LSDHHAIUSA-N 2 1 356.478 0.862 20 0 FCADMP CCN1CC[NH+](CCCn2c(C3CC3)nnc2N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC001577778262 1274872006 /nfs/dbraw/zinc/87/20/06/1274872006.db2.gz OVQZVXTVZVVTDQ-DOTOQJQBSA-N 2 1 361.538 0.967 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577852392 1274995986 /nfs/dbraw/zinc/99/59/86/1274995986.db2.gz QCYDNGUSMMBUQH-INIZCTEOSA-N 2 1 357.462 0.899 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577855575 1275005014 /nfs/dbraw/zinc/00/50/14/1275005014.db2.gz JVQQOLXOVSPHLM-CYBMUJFWSA-N 2 1 358.450 0.428 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577855268 1275006700 /nfs/dbraw/zinc/00/67/00/1275006700.db2.gz AGYNGQQFAXCFBQ-AWEZNQCLSA-N 2 1 372.477 0.818 20 0 FCADMP CC[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001577861657 1275028148 /nfs/dbraw/zinc/02/81/48/1275028148.db2.gz YYPWZXFBCUSJMI-GOEBONIOSA-N 2 1 358.494 0.961 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577863497 1275038039 /nfs/dbraw/zinc/03/80/39/1275038039.db2.gz WSPIHOHUODQQKA-CYBMUJFWSA-N 2 1 360.466 0.853 20 0 FCADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001577867087 1275049816 /nfs/dbraw/zinc/04/98/16/1275049816.db2.gz UNDRHIXHJCGNMV-CQSZACIVSA-N 2 1 372.477 0.854 20 0 FCADMP CC[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001577872349 1275064287 /nfs/dbraw/zinc/06/42/87/1275064287.db2.gz WEMOCUCKQWFOGV-KRWDZBQOSA-N 2 1 371.489 0.394 20 0 FCADMP CC[NH2+]CCn1c(Cc2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001577872349 1275064291 /nfs/dbraw/zinc/06/42/91/1275064291.db2.gz WEMOCUCKQWFOGV-KRWDZBQOSA-N 2 1 371.489 0.394 20 0 FCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001577933001 1275146905 /nfs/dbraw/zinc/14/69/05/1275146905.db2.gz WQZQBKHQBILZIY-OAHLLOKOSA-N 2 1 353.463 0.243 20 0 FCADMP CCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577947109 1275167752 /nfs/dbraw/zinc/16/77/52/1275167752.db2.gz UFABINQCWRBWHO-HNNXBMFYSA-N 2 1 372.477 0.997 20 0 FCADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949195 1275169019 /nfs/dbraw/zinc/16/90/19/1275169019.db2.gz COHZUFYTLLRRAE-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949195 1275169020 /nfs/dbraw/zinc/16/90/20/1275169020.db2.gz COHZUFYTLLRRAE-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949195 1275169023 /nfs/dbraw/zinc/16/90/23/1275169023.db2.gz COHZUFYTLLRRAE-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949195 1275169026 /nfs/dbraw/zinc/16/90/26/1275169026.db2.gz COHZUFYTLLRRAE-LBPRGKRZSA-N 2 1 363.491 0.818 20 0 FCADMP O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cn[nH]n1)C2)C12CCC[NH+]1CCC2 ZINC001577981564 1275212567 /nfs/dbraw/zinc/21/25/67/1275212567.db2.gz VQQRDEFBBZOZIL-UAGQMJEPSA-N 2 1 358.490 0.945 20 0 FCADMP O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1c[nH]nn1)C2)C12CCC[NH+]1CCC2 ZINC001577981564 1275212573 /nfs/dbraw/zinc/21/25/73/1275212573.db2.gz VQQRDEFBBZOZIL-UAGQMJEPSA-N 2 1 358.490 0.945 20 0 FCADMP O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1c[nH]nn1)C2)C12CCC[NH+]1CCC2 ZINC001577981564 1275212580 /nfs/dbraw/zinc/21/25/80/1275212580.db2.gz VQQRDEFBBZOZIL-UAGQMJEPSA-N 2 1 358.490 0.945 20 0 FCADMP O=C(NC[C@H](CO)[NH2+]CCc1cn[nH]n1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986370 1275224333 /nfs/dbraw/zinc/22/43/33/1275224333.db2.gz AVBGLGFUBQTAPE-NVXWUHKLSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@H](CO)[NH2+]CCc1c[nH]nn1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001577986370 1275224342 /nfs/dbraw/zinc/22/43/42/1275224342.db2.gz AVBGLGFUBQTAPE-NVXWUHKLSA-N 2 1 364.494 0.211 20 0 FCADMP O=C(NC[C@H](CO)[NH2+]CCc1c[nH]nn1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001577986370 1275224353 /nfs/dbraw/zinc/22/43/53/1275224353.db2.gz AVBGLGFUBQTAPE-NVXWUHKLSA-N 2 1 364.494 0.211 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(COCC)n2C[C@H]2CCC[NH2+]2)CC1 ZINC001578115726 1275418400 /nfs/dbraw/zinc/41/84/00/1275418400.db2.gz VJGHXANGLVVPFS-MRXNPFEDSA-N 2 1 366.510 0.725 20 0 FCADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[NH2+]C)CC1 ZINC001578115813 1275418896 /nfs/dbraw/zinc/41/88/96/1275418896.db2.gz YRJQSBZEVJTOHN-OAHLLOKOSA-N 2 1 374.493 0.502 20 0 FCADMP CCOCc1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001578129659 1275428515 /nfs/dbraw/zinc/42/85/15/1275428515.db2.gz KSQNWQGMVUGQJT-ZQIUZPCESA-N 2 1 352.483 0.055 20 0 FCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@H+]1C ZINC001578160093 1275458611 /nfs/dbraw/zinc/45/86/11/1275458611.db2.gz TYNWADAQYBHIRS-KBRIMQKVSA-N 2 1 350.507 0.679 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223887 1275524668 /nfs/dbraw/zinc/52/46/68/1275524668.db2.gz GNQBMPHVCZCYAW-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578223887 1275524669 /nfs/dbraw/zinc/52/46/69/1275524669.db2.gz GNQBMPHVCZCYAW-CZUORRHYSA-N 2 1 373.461 0.182 20 0 FCADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578312465 1275650923 /nfs/dbraw/zinc/65/09/23/1275650923.db2.gz VRKGDPLHPMIQQK-JKSUJKDBSA-N 2 1 350.511 0.855 20 0 FCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578397762 1275772075 /nfs/dbraw/zinc/77/20/75/1275772075.db2.gz XFHKOIKWBWEPNC-JKSUJKDBSA-N 2 1 353.511 0.618 20 0 FCADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H](C(F)(F)F)C[NH2+]2)CC1 ZINC001578418324 1275787358 /nfs/dbraw/zinc/78/73/58/1275787358.db2.gz GLAWRUHGDCRKKP-KBPBESRZSA-N 2 1 350.429 0.917 20 0 FCADMP CN(C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1)C(=O)OC(C)(C)C ZINC001578451873 1275850252 /nfs/dbraw/zinc/85/02/52/1275850252.db2.gz AJCUGJCWYGGMCX-OAHLLOKOSA-N 2 1 354.495 0.997 20 0 FCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578525098 1275958073 /nfs/dbraw/zinc/95/80/73/1275958073.db2.gz OXZSGVPDDMVIGA-INIZCTEOSA-N 2 1 353.511 0.175 20 0 FCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578525098 1275958077 /nfs/dbraw/zinc/95/80/77/1275958077.db2.gz OXZSGVPDDMVIGA-INIZCTEOSA-N 2 1 353.511 0.175 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCC(F)(F)CC2)C1 ZINC001578525875 1275958334 /nfs/dbraw/zinc/95/83/34/1275958334.db2.gz SGNDMUMWHKFNKN-DVOMOZLQSA-N 2 1 370.448 0.785 20 0 FCADMP C[N@H+]1CC[C@](O)(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C[NH3+])C2)C1 ZINC001578525602 1275958350 /nfs/dbraw/zinc/95/83/50/1275958350.db2.gz JPXSKZXRQJEQEA-KBXCAEBGSA-N 2 1 357.462 0.192 20 0 FCADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)c2)C1 ZINC001578529743 1275961940 /nfs/dbraw/zinc/96/19/40/1275961940.db2.gz ZHRPTHUTVZXIML-DLBZAZTESA-N 2 1 356.470 0.798 20 0 FCADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3[C@@H](C[NH3+])C3(F)F)c2)CC1 ZINC001578532662 1275963800 /nfs/dbraw/zinc/96/38/00/1275963800.db2.gz QKFOVPQQHNUQAN-GDBMZVCRSA-N 2 1 366.412 0.782 20 0 FCADMP CNC(=O)CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CCn1cc[nH+]c1C ZINC001578553851 1275981332 /nfs/dbraw/zinc/98/13/32/1275981332.db2.gz ZFECZPRGIQFAIP-OAHLLOKOSA-N 2 1 374.493 0.523 20 0 FCADMP C[NH2+][C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001578578151 1276011450 /nfs/dbraw/zinc/01/14/50/1276011450.db2.gz DGXJJFBRTUKICC-KBXIAJHMSA-N 2 1 361.494 0.510 20 0 FCADMP C[NH2+][C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)CCOC)C1 ZINC001578601276 1276032726 /nfs/dbraw/zinc/03/27/26/1276032726.db2.gz AYBXXBVHRFRJLZ-CVEARBPZSA-N 2 1 366.510 0.548 20 0 FCADMP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)CCOC)C1 ZINC001578615591 1276052209 /nfs/dbraw/zinc/05/22/09/1276052209.db2.gz NSYRTOWMQCNUNV-JKSUJKDBSA-N 2 1 366.510 0.548 20 0 FCADMP COC(=O)C1=C(C)O[C@H](C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784195 1276265821 /nfs/dbraw/zinc/26/58/21/1276265821.db2.gz RYSUIHXIQDNEKH-OSRDXIQISA-N 2 1 351.403 0.089 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC001578843442 1276363645 /nfs/dbraw/zinc/36/36/45/1276363645.db2.gz UBVVEYUYSJRILH-XZLOLGPPSA-N 2 1 364.490 0.925 20 0 FCADMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)N[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC001578843441 1276364115 /nfs/dbraw/zinc/36/41/15/1276364115.db2.gz UBVVEYUYSJRILH-PPLBCVRQSA-N 2 1 364.490 0.925 20 0 FCADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578877887 1276407241 /nfs/dbraw/zinc/40/72/41/1276407241.db2.gz CKEGKYSOXXAEQU-QGZVFWFLSA-N 2 1 369.473 0.995 20 0 FCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893438 1276429111 /nfs/dbraw/zinc/42/91/11/1276429111.db2.gz JYUSAIXKSPTXBK-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893438 1276429116 /nfs/dbraw/zinc/42/91/16/1276429116.db2.gz JYUSAIXKSPTXBK-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578893438 1276429118 /nfs/dbraw/zinc/42/91/18/1276429118.db2.gz JYUSAIXKSPTXBK-IAGOWNOFSA-N 2 1 369.473 0.994 20 0 FCADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578974551 1276522444 /nfs/dbraw/zinc/52/24/44/1276522444.db2.gz OXNAEVDUUWZVKC-INIZCTEOSA-N 2 1 357.462 0.851 20 0 FCADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC001579014918 1276590078 /nfs/dbraw/zinc/59/00/78/1276590078.db2.gz ULBIZNRIUYOKDQ-ARFHVFGLSA-N 2 1 366.510 0.534 20 0 FCADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH3+])C[C@@H]1C ZINC001579037575 1276621506 /nfs/dbraw/zinc/62/15/06/1276621506.db2.gz RWCXMLDMCWWSPZ-HRCADAONSA-N 2 1 366.510 0.881 20 0 FCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nn[nH]n1 ZINC001579166970 1276917846 /nfs/dbraw/zinc/91/78/46/1276917846.db2.gz MOBKKKNRSBFBJC-UHFFFAOYSA-N 2 1 355.446 0.511 20 0 FCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323104 1277140708 /nfs/dbraw/zinc/14/07/08/1277140708.db2.gz PPVAWOOUGATEDT-KLAILNCOSA-N 2 1 369.473 0.897 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579325690 1277145571 /nfs/dbraw/zinc/14/55/71/1277145571.db2.gz FGWOPKCOLTVPIQ-IAGOWNOFSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579326304 1277148671 /nfs/dbraw/zinc/14/86/71/1277148671.db2.gz JJNHDTSKYOEIHN-CHWSQXEVSA-N 2 1 356.434 0.038 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579326485 1277149727 /nfs/dbraw/zinc/14/97/27/1277149727.db2.gz JYFQMSSUVNBOSH-LSDHHAIUSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579325960 1277150353 /nfs/dbraw/zinc/15/03/53/1277150353.db2.gz LTLLEUWMUUMSQI-KGLIPLIRSA-N 2 1 370.461 0.286 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332486 1277165138 /nfs/dbraw/zinc/16/51/38/1277165138.db2.gz KSNAVMBIIUMVJZ-DOMZBBRYSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332486 1277165143 /nfs/dbraw/zinc/16/51/43/1277165143.db2.gz KSNAVMBIIUMVJZ-DOMZBBRYSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332486 1277165146 /nfs/dbraw/zinc/16/51/46/1277165146.db2.gz KSNAVMBIIUMVJZ-DOMZBBRYSA-N 2 1 373.436 0.648 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001579332486 1277165150 /nfs/dbraw/zinc/16/51/50/1277165150.db2.gz KSNAVMBIIUMVJZ-DOMZBBRYSA-N 2 1 373.436 0.648 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579333018 1277165724 /nfs/dbraw/zinc/16/57/24/1277165724.db2.gz NRQHUTFTTXFHPT-KZULUSFZSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C)C1 ZINC001579333188 1277165785 /nfs/dbraw/zinc/16/57/85/1277165785.db2.gz OTQLCWRINTWVIA-DOMZBBRYSA-N 2 1 372.477 0.578 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334865 1277173281 /nfs/dbraw/zinc/17/32/81/1277173281.db2.gz IPEQPHFNXHCFGC-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334865 1277173282 /nfs/dbraw/zinc/17/32/82/1277173282.db2.gz IPEQPHFNXHCFGC-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334865 1277173283 /nfs/dbraw/zinc/17/32/83/1277173283.db2.gz IPEQPHFNXHCFGC-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579334865 1277173285 /nfs/dbraw/zinc/17/32/85/1277173285.db2.gz IPEQPHFNXHCFGC-CVEARBPZSA-N 2 1 355.446 0.509 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001579334768 1277173390 /nfs/dbraw/zinc/17/33/90/1277173390.db2.gz ZYHIMTKVYKXDCH-HSBZDZAISA-N 2 1 370.461 0.475 20 0 FCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335268 1277176138 /nfs/dbraw/zinc/17/61/38/1277176138.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335268 1277176140 /nfs/dbraw/zinc/17/61/40/1277176140.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579335268 1277176375 /nfs/dbraw/zinc/17/63/75/1277176375.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336163 1277179332 /nfs/dbraw/zinc/17/93/32/1277179332.db2.gz ZNGOPNWZGJTNFP-CHWSQXEVSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579336163 1277179333 /nfs/dbraw/zinc/17/93/33/1277179333.db2.gz ZNGOPNWZGJTNFP-CHWSQXEVSA-N 2 1 356.434 0.298 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001579339772 1277183539 /nfs/dbraw/zinc/18/35/39/1277183539.db2.gz LYJDMTSEHGKJHO-MGPQQGTHSA-N 2 1 373.436 0.694 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579341464 1277189235 /nfs/dbraw/zinc/18/92/35/1277189235.db2.gz MSAKPZXILVNVDC-KBPBESRZSA-N 2 1 370.461 0.428 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001579341391 1277189241 /nfs/dbraw/zinc/18/92/41/1277189241.db2.gz KARPDAZHJHECLY-GOEBONIOSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579344218 1277194763 /nfs/dbraw/zinc/19/47/63/1277194763.db2.gz OEUINLBFXHKUJO-WBVHZDCISA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579343993 1277194853 /nfs/dbraw/zinc/19/48/53/1277194853.db2.gz BMTINHXLAPIFNI-AWEZNQCLSA-N 2 1 369.473 0.947 20 0 FCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001579343909 1277195207 /nfs/dbraw/zinc/19/52/07/1277195207.db2.gz NHYKNCLATSRATB-BLLLJJGKSA-N 2 1 370.461 0.332 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579345138 1277196799 /nfs/dbraw/zinc/19/67/99/1277196799.db2.gz JHJJAWUOIWCAFT-OAHLLOKOSA-N 2 1 369.473 0.757 20 0 FCADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344919 1277196905 /nfs/dbraw/zinc/19/69/05/1277196905.db2.gz ILBULZXBOSCWBZ-KGLIPLIRSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579344919 1277196906 /nfs/dbraw/zinc/19/69/06/1277196906.db2.gz ILBULZXBOSCWBZ-KGLIPLIRSA-N 2 1 370.461 0.689 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579348196 1277203320 /nfs/dbraw/zinc/20/33/20/1277203320.db2.gz WHZZSFWMKFEUJB-OIISXLGYSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353888 1277217367 /nfs/dbraw/zinc/21/73/67/1277217367.db2.gz WBDYKPALEGOKDD-XJKSGUPXSA-N 2 1 370.461 0.571 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579359785 1277233710 /nfs/dbraw/zinc/23/37/10/1277233710.db2.gz DFRMBKQVQFJKEL-BZUAXINKSA-N 2 1 355.446 0.698 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579370128 1277253687 /nfs/dbraw/zinc/25/36/87/1277253687.db2.gz VCIBAHNKDABPRF-RHSMWYFYSA-N 2 1 369.473 0.899 20 0 FCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579370021 1277254449 /nfs/dbraw/zinc/25/44/49/1277254449.db2.gz JFKSBGTYGSYHHW-MRXNPFEDSA-N 2 1 370.461 0.428 20 0 FCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001579397036 1277280338 /nfs/dbraw/zinc/28/03/38/1277280338.db2.gz DIVMGTZRZSWQQB-DOTOQJQBSA-N 3 1 350.511 0.809 20 0 FCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001579397036 1277280344 /nfs/dbraw/zinc/28/03/44/1277280344.db2.gz DIVMGTZRZSWQQB-DOTOQJQBSA-N 3 1 350.511 0.809 20 0 FCADMP C[C@@H]([NH3+])Cn1c(-c2ccccn2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001579403875 1277287035 /nfs/dbraw/zinc/28/70/35/1277287035.db2.gz AAQFOMPHSHTMLG-HZPDHXFCSA-N 2 1 371.489 0.846 20 0 FCADMP C[C@@H]([NH3+])Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001579406747 1277288376 /nfs/dbraw/zinc/28/83/76/1277288376.db2.gz PSRWSDHUDBULRG-RKVPGOIHSA-N 2 1 364.494 0.430 20 0 FCADMP C[C@H]1C[N@@H+](CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C(=O)c1cscn1 ZINC001579490388 1277402456 /nfs/dbraw/zinc/40/24/56/1277402456.db2.gz QDTRPEQXLRUSCW-NRMMMPIQSA-N 2 1 350.488 0.935 20 0 FCADMP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001579522795 1277478234 /nfs/dbraw/zinc/47/82/34/1277478234.db2.gz YILGVVRMQVERDK-ZDUSSCGKSA-N 2 1 354.458 0.998 20 0 FCADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001713485459 1287282650 /nfs/dbraw/zinc/28/26/50/1287282650.db2.gz VBTACFOPEJIJKK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001713485459 1287282653 /nfs/dbraw/zinc/28/26/53/1287282653.db2.gz VBTACFOPEJIJKK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001713485459 1287282656 /nfs/dbraw/zinc/28/26/56/1287282656.db2.gz VBTACFOPEJIJKK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCO[C@@H](C)C1 ZINC001713485459 1287282658 /nfs/dbraw/zinc/28/26/58/1287282658.db2.gz VBTACFOPEJIJKK-ARFHVFGLSA-N 2 1 354.495 0.012 20 0 FCADMP Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@@H](C)[NH3+])n1 ZINC001579585595 1277613781 /nfs/dbraw/zinc/61/37/81/1277613781.db2.gz KPKYDSQDIASVJL-CZUORRHYSA-N 2 1 374.493 0.008 20 0 FCADMP Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@@H](C)[NH3+])n1 ZINC001579585595 1277613785 /nfs/dbraw/zinc/61/37/85/1277613785.db2.gz KPKYDSQDIASVJL-CZUORRHYSA-N 2 1 374.493 0.008 20 0 FCADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@@H](C(=O)N3CC[NH2+]CC3)C1)C2 ZINC001579877383 1277947562 /nfs/dbraw/zinc/94/75/62/1277947562.db2.gz LLQJBXYJTJHGEL-JKSUJKDBSA-N 2 1 359.474 0.424 20 0 FCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC3(C[NH2+]C3)O2)cn1 ZINC001579881735 1277949505 /nfs/dbraw/zinc/94/95/05/1277949505.db2.gz KACAPSZCLBSRNC-OAHLLOKOSA-N 2 1 356.430 0.896 20 0 FCADMP Cc1nnc(N2CC[C@@H]([NH3+])C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001579911043 1277958486 /nfs/dbraw/zinc/95/84/86/1277958486.db2.gz DLKPRCVGXDGZOB-ZBFHGGJFSA-N 2 1 352.508 0.332 20 0 FCADMP NC(=O)C1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001580089037 1278003912 /nfs/dbraw/zinc/00/39/12/1278003912.db2.gz HUUIVKKQADHVRR-IYBDPMFKSA-N 2 1 373.505 0.446 20 0 FCADMP [NH3+]CC(F)(F)Cn1c(C2CC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001580223230 1278046466 /nfs/dbraw/zinc/04/64/66/1278046466.db2.gz VTRNAKJZCIPOKB-CYBMUJFWSA-N 2 1 370.448 0.908 20 0 FCADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC[NH+]1CCOCC1 ZINC001580279433 1278076614 /nfs/dbraw/zinc/07/66/14/1278076614.db2.gz RZDJQCDOZWDOJA-AWEZNQCLSA-N 2 1 373.461 0.183 20 0 FCADMP O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC001580869807 1279073164 /nfs/dbraw/zinc/07/31/64/1279073164.db2.gz JXRMZECXDAUKMC-IRXDYDNUSA-N 2 1 353.488 0.425 20 0 FCADMP Cc1cc(N(C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942838 1279151295 /nfs/dbraw/zinc/15/12/95/1279151295.db2.gz SSGVJLRXSKUWRN-AWEZNQCLSA-N 2 1 372.477 0.947 20 0 FCADMP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956712 1279160101 /nfs/dbraw/zinc/16/01/01/1279160101.db2.gz MOVOOUAOCGZNMS-ZIAGYGMSSA-N 2 1 370.461 0.464 20 0 FCADMP Cc1cc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580972912 1279173605 /nfs/dbraw/zinc/17/36/05/1279173605.db2.gz MAMLMKYKKZBIGG-JSGCOSHPSA-N 2 1 370.461 0.607 20 0 FCADMP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974526 1279174337 /nfs/dbraw/zinc/17/43/37/1279174337.db2.gz HZXIRCIGSVJVNQ-KCQAQPDRSA-N 2 1 368.445 0.454 20 0 FCADMP Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991432 1279195492 /nfs/dbraw/zinc/19/54/92/1279195492.db2.gz OZXHWDMKMZQZLH-IACUBPJLSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@@H+](C)C2CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992955 1279197565 /nfs/dbraw/zinc/19/75/65/1279197565.db2.gz BWXJYLSYNWRCJI-ZDUSSCGKSA-N 2 1 372.477 0.735 20 0 FCADMP Cc1cc(N[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993042 1279197687 /nfs/dbraw/zinc/19/76/87/1279197687.db2.gz FGXBTDPQCQYQNG-CVEARBPZSA-N 2 1 372.477 0.639 20 0 FCADMP Cc1cc(N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006133 1279224036 /nfs/dbraw/zinc/22/40/36/1279224036.db2.gz LKQYBNZJGGIQAF-KGLIPLIRSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010150 1279235288 /nfs/dbraw/zinc/23/52/88/1279235288.db2.gz GHSQIZISFOCLIF-WCQYABFASA-N 2 1 358.450 0.108 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010117 1279235928 /nfs/dbraw/zinc/23/59/28/1279235928.db2.gz FEUOQLANQAPAFB-STQMWFEESA-N 2 1 372.477 0.498 20 0 FCADMP Cc1cc(NC[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581010264 1279236423 /nfs/dbraw/zinc/23/64/23/1279236423.db2.gz IFJKMEGATLDITA-XHDPSFHLSA-N 2 1 358.450 0.250 20 0 FCADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022579 1279253306 /nfs/dbraw/zinc/25/33/06/1279253306.db2.gz CVVDMAJAKMIJKA-CJNGLKHVSA-N 2 1 370.461 0.347 20 0 FCADMP Cc1cc(NCCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027178 1279260614 /nfs/dbraw/zinc/26/06/14/1279260614.db2.gz MWQMZWLRJWHWEZ-AWEZNQCLSA-N 2 1 372.477 0.785 20 0 FCADMP Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030772 1279267877 /nfs/dbraw/zinc/26/78/77/1279267877.db2.gz MTRUMCNKEQNIHE-JHJVBQTASA-N 2 1 358.450 0.249 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338999 1279719501 /nfs/dbraw/zinc/71/95/01/1279719501.db2.gz YWMPKQLNKOEWQJ-NSCUHMNNSA-N 2 1 366.429 0.834 20 0 FCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581340131 1279721753 /nfs/dbraw/zinc/72/17/53/1279721753.db2.gz OKXUZQOKBVGHEB-GFCCVEGCSA-N 2 1 354.418 0.666 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581562661 1280138298 /nfs/dbraw/zinc/13/82/98/1280138298.db2.gz CGEZURCWESJIRH-MRXNPFEDSA-N 2 1 366.429 0.762 20 0 FCADMP C[C@@]1(CNC(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CCC[NH2+]C1 ZINC001603802718 1287502452 /nfs/dbraw/zinc/50/24/52/1287502452.db2.gz PFEAOAKHXRDYBP-MAUKXSAKSA-N 2 1 355.446 0.559 20 0 FCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(O)(C(N)=O)CC3)CC2)CC1 ZINC001635128649 1282382036 /nfs/dbraw/zinc/38/20/36/1282382036.db2.gz RAZZIISZAVAUIS-UHFFFAOYSA-N 2 1 366.506 0.022 20 0 FCADMP CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604296460 1287598269 /nfs/dbraw/zinc/59/82/69/1287598269.db2.gz IOGXUXFNTXMBPJ-ZDUSSCGKSA-N 2 1 358.450 0.546 20 0 FCADMP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001589827715 1283065382 /nfs/dbraw/zinc/06/53/82/1283065382.db2.gz CPWXDMYTJLPDOR-XJKSGUPXSA-N 2 1 357.462 0.945 20 0 FCADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001590113336 1283225107 /nfs/dbraw/zinc/22/51/07/1283225107.db2.gz QZKFMGKZPYIQRP-CABCVRRESA-N 2 1 355.446 0.558 20 0 FCADMP CC1CC[NH+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001590271363 1283398750 /nfs/dbraw/zinc/39/87/50/1283398750.db2.gz HSQZLNHLGGFNFO-QGZVFWFLSA-N 2 1 369.473 0.902 20 0 FCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(=O)[nH]n1 ZINC001681411228 1283494332 /nfs/dbraw/zinc/49/43/32/1283494332.db2.gz FRFCOVKPWWFUEP-HNNXBMFYSA-N 2 1 350.467 0.740 20 0 FCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001682494847 1283623521 /nfs/dbraw/zinc/62/35/21/1283623521.db2.gz DSDZEEYGHSKGRW-BZUAXINKSA-N 2 1 366.506 0.033 20 0 FCADMP CCC[N@@H+](C)CC(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590618281 1283652993 /nfs/dbraw/zinc/65/29/93/1283652993.db2.gz FBUDBVSMFMGYIO-UHFFFAOYSA-N 2 1 360.466 0.594 20 0 FCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001590634008 1283673303 /nfs/dbraw/zinc/67/33/03/1283673303.db2.gz YXOGDMMBIPCYMM-CQSZACIVSA-N 2 1 372.477 0.642 20 0 FCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001682576654 1283693843 /nfs/dbraw/zinc/69/38/43/1283693843.db2.gz KUEBXNCMEPARLF-IAGOWNOFSA-N 2 1 368.522 0.137 20 0 FCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590733296 1283766578 /nfs/dbraw/zinc/76/65/78/1283766578.db2.gz NDRGBOLNIWDUPB-MRXNPFEDSA-N 2 1 357.462 0.947 20 0 FCADMP C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591070022 1284128966 /nfs/dbraw/zinc/12/89/66/1284128966.db2.gz PXIAJEDUJWNHAY-UHFFFAOYSA-N 2 1 369.473 0.901 20 0 FCADMP C[NH+](Cc1cc(C[N@H+](C)C2(CO)CC2)cc(-c2nn[nH]n2)c1)C1(CO)CC1 ZINC001591131483 1284204450 /nfs/dbraw/zinc/20/44/50/1284204450.db2.gz YZUILJUVDJYRJO-UHFFFAOYSA-N 2 1 372.473 0.780 20 0 FCADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001591175095 1284263858 /nfs/dbraw/zinc/26/38/58/1284263858.db2.gz GRKZYEFIWHVZSZ-BAABZTOOSA-N 2 1 373.436 0.720 20 0 FCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001591176863 1284269000 /nfs/dbraw/zinc/26/90/00/1284269000.db2.gz WHZZSFWMKFEUJB-DJIMGWMZSA-N 2 1 369.473 0.945 20 0 FCADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186111 1284296127 /nfs/dbraw/zinc/29/61/27/1284296127.db2.gz FGENBDBYKIMDGE-GVDBMIGSSA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001591186111 1284296139 /nfs/dbraw/zinc/29/61/39/1284296139.db2.gz FGENBDBYKIMDGE-GVDBMIGSSA-N 2 1 367.457 0.749 20 0 FCADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001591187340 1284298655 /nfs/dbraw/zinc/29/86/55/1284298655.db2.gz PQRLLTOZNGJTNX-HNNXBMFYSA-N 2 1 361.425 0.696 20 0 FCADMP C[NH2+]CC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591218608 1284354128 /nfs/dbraw/zinc/35/41/28/1284354128.db2.gz VWHFAMMAIVAFOO-INIZCTEOSA-N 2 1 355.446 0.512 20 0 FCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(C)c(-c3nn[nH]n3)c1)C2 ZINC001591284491 1284443175 /nfs/dbraw/zinc/44/31/75/1284443175.db2.gz OPZMSIAHYDVXPH-IYOUNJFTSA-N 2 1 356.430 0.887 20 0 FCADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[nH]n1 ZINC001591526493 1284713443 /nfs/dbraw/zinc/71/34/43/1284713443.db2.gz SOPVRQLNBSMGKW-ZDUSSCGKSA-N 2 1 359.434 0.162 20 0 FCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001591562278 1284734697 /nfs/dbraw/zinc/73/46/97/1284734697.db2.gz XDLHODBTTJTJSU-HNNXBMFYSA-N 2 1 373.461 0.565 20 0 FCADMP Cc1cc(NCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049217 1285094287 /nfs/dbraw/zinc/09/42/87/1285094287.db2.gz LBLOPJGRJCTXGA-CZUORRHYSA-N 2 1 370.461 0.537 20 0 FCADMP Cc1cc(NCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049194 1285094499 /nfs/dbraw/zinc/09/44/99/1285094499.db2.gz KGMQOLSDXWJLAC-XJKSGUPXSA-N 2 1 370.461 0.537 20 0 FCADMP Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592056208 1285100034 /nfs/dbraw/zinc/10/00/34/1285100034.db2.gz VQOVMSOFXWQFOW-XJKCOSOUSA-N 2 1 370.461 0.535 20 0 FCADMP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1)[NH+](C)C ZINC001702667807 1285779337 /nfs/dbraw/zinc/77/93/37/1285779337.db2.gz OXFPQALKRNEREU-IKGGRYGDSA-N 2 1 352.523 0.974 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995033 1285878785 /nfs/dbraw/zinc/87/87/85/1285878785.db2.gz OJRUXUKWPAIXPL-BFYDXBDKSA-N 2 1 367.457 0.797 20 0 FCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592995033 1285878788 /nfs/dbraw/zinc/87/87/88/1285878788.db2.gz OJRUXUKWPAIXPL-BFYDXBDKSA-N 2 1 367.457 0.797 20 0 FCADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001609284584 1289048476 /nfs/dbraw/zinc/04/84/76/1289048476.db2.gz UXILANTZKMGYKJ-ZBFHGGJFSA-N 2 1 360.462 0.928 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C ZINC001704887643 1286315677 /nfs/dbraw/zinc/31/56/77/1286315677.db2.gz VBRWAUDXLDBSLU-IAGOWNOFSA-N 2 1 352.523 0.975 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001707024584 1286433685 /nfs/dbraw/zinc/43/36/85/1286433685.db2.gz QQXNYDXDAFJXFX-VNHYZAJKSA-N 2 1 367.494 0.141 20 0 FCADMP [NH3+]C1CC2(C1)CC(NC(=O)[C@@H]1[NH2+]CCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC001606437009 1288316343 /nfs/dbraw/zinc/31/63/43/1288316343.db2.gz LHOZDDYFOLMDEG-RPTXSPESSA-N 2 1 353.430 0.440 20 0 FCADMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCc3nccn3C2)CC[N@H+]1C ZINC001721708890 1288370880 /nfs/dbraw/zinc/37/08/80/1288370880.db2.gz WXGMUBGPCFZSLM-OWCLPIDISA-N 2 1 361.490 0.703 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001725421794 1288466962 /nfs/dbraw/zinc/46/69/62/1288466962.db2.gz JWYLKSDTFWOHCR-UKRRQHHQSA-N 2 1 363.462 0.876 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CC(=O)Nc3ccon3)CC2)CC[NH+]1C ZINC001725421794 1288466966 /nfs/dbraw/zinc/46/69/66/1288466966.db2.gz JWYLKSDTFWOHCR-UKRRQHHQSA-N 2 1 363.462 0.876 20 0 FCADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CC(=O)Nc3ccon3)CC2)CC[NH+]1C ZINC001725421794 1288466972 /nfs/dbraw/zinc/46/69/72/1288466972.db2.gz JWYLKSDTFWOHCR-UKRRQHHQSA-N 2 1 363.462 0.876 20 0 FCADMP O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001606780929 1288511717 /nfs/dbraw/zinc/51/17/17/1288511717.db2.gz RCWNTSOVBOPGDB-IUODEOHRSA-N 2 1 356.434 0.229 20 0 FCADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001607054388 1288625892 /nfs/dbraw/zinc/62/58/92/1288625892.db2.gz ARWAGWCWUYBQIZ-SOUVJXGZSA-N 2 1 355.402 0.234 20 0 FCADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001607095683 1288659880 /nfs/dbraw/zinc/65/98/80/1288659880.db2.gz WWHQELJGXVIQSL-ZWKOTPCHSA-N 2 1 372.473 0.961 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH2+]CCOC)cc(=O)[nH]2)CC[N@H+]1C ZINC001691907581 1289339034 /nfs/dbraw/zinc/33/90/34/1289339034.db2.gz OXZVTAHOGGWREK-UONOGXRCSA-N 2 1 351.451 0.265 20 0 FCADMP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)no1 ZINC001691948128 1289348465 /nfs/dbraw/zinc/34/84/65/1289348465.db2.gz PXCMNGUWHLPVJH-SOUVJXGZSA-N 2 1 363.462 0.748 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1Cc1cnnn1C ZINC001692018020 1289366918 /nfs/dbraw/zinc/36/69/18/1289366918.db2.gz GKFKKCGGBAQUQI-DLBZAZTESA-N 2 1 364.494 0.395 20 0 FCADMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1Cc1cnnn1C ZINC001692018020 1289366930 /nfs/dbraw/zinc/36/69/30/1289366930.db2.gz GKFKKCGGBAQUQI-DLBZAZTESA-N 2 1 364.494 0.395 20 0 FCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001692080602 1289386386 /nfs/dbraw/zinc/38/63/86/1289386386.db2.gz JIVSOYWFFYRWKU-MOPGFXCFSA-N 2 1 367.534 0.896 20 0 FCADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001692090065 1289397068 /nfs/dbraw/zinc/39/70/68/1289397068.db2.gz KVOHXZGHOCGWNM-CVEARBPZSA-N 2 1 354.495 0.014 20 0 FCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NCC ZINC001692096164 1289398681 /nfs/dbraw/zinc/39/86/81/1289398681.db2.gz ACVSHCHWEXDJKR-CABCVRRESA-N 2 1 369.510 0.391 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001692391101 1289457063 /nfs/dbraw/zinc/45/70/63/1289457063.db2.gz RAYXUHOWOBHEEF-ZACQAIPSSA-N 2 1 365.522 0.801 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C[C@@H](O)Cn1cccn1 ZINC001692391101 1289457064 /nfs/dbraw/zinc/45/70/64/1289457064.db2.gz RAYXUHOWOBHEEF-ZACQAIPSSA-N 2 1 365.522 0.801 20 0 FCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C[C@@H](O)Cn1cccn1 ZINC001692391101 1289457067 /nfs/dbraw/zinc/45/70/67/1289457067.db2.gz RAYXUHOWOBHEEF-ZACQAIPSSA-N 2 1 365.522 0.801 20 0 FCADMP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699387219 1289552787 /nfs/dbraw/zinc/55/27/87/1289552787.db2.gz OLGMWJMYMWVILE-NXHRZFHOSA-N 2 1 358.486 0.658 20 0 FCADMP CCCNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699578255 1289558783 /nfs/dbraw/zinc/55/87/83/1289558783.db2.gz YXXPNNDUCWXQQS-YUELXQCFSA-N 2 1 367.494 0.047 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@@H](O)COCC(F)(F)F)CC2)CC[N@H+]1C ZINC001699652336 1289559361 /nfs/dbraw/zinc/55/93/61/1289559361.db2.gz ZXYRHWRPSREEKX-JHJVBQTASA-N 2 1 367.412 0.505 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001699650965 1289559600 /nfs/dbraw/zinc/55/96/00/1289559600.db2.gz IIRCZRWLSBPBAH-OWCLPIDISA-N 2 1 371.547 0.780 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001699651928 1289559705 /nfs/dbraw/zinc/55/97/05/1289559705.db2.gz USFIHFJRUNHNBE-HRCADAONSA-N 2 1 366.506 0.202 20 0 FCADMP CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699750746 1289565072 /nfs/dbraw/zinc/56/50/72/1289565072.db2.gz GGAFGLCZGVSKRX-HYVNUMGLSA-N 2 1 354.495 0.060 20 0 FCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001738251069 1289648277 /nfs/dbraw/zinc/64/82/77/1289648277.db2.gz FCGXCXFPEUHDHR-ARFHVFGLSA-N 2 1 350.507 0.824 20 0 FCADMP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001702143604 1289748294 /nfs/dbraw/zinc/74/82/94/1289748294.db2.gz SFKQGQKOEIXUTK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001702143604 1289748302 /nfs/dbraw/zinc/74/83/02/1289748302.db2.gz SFKQGQKOEIXUTK-DLBZAZTESA-N 2 1 366.506 0.110 20 0 FCADMP CCOCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001616946016 1289804347 /nfs/dbraw/zinc/80/43/47/1289804347.db2.gz CJEIYDSWESZKPW-HUUCEWRRSA-N 2 1 352.483 0.286 20 0 FCADMP CCOCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001616946016 1289804359 /nfs/dbraw/zinc/80/43/59/1289804359.db2.gz CJEIYDSWESZKPW-HUUCEWRRSA-N 2 1 352.483 0.286 20 0 FCADMP CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001628813498 1290555987 /nfs/dbraw/zinc/55/59/87/1290555987.db2.gz AYTUDRLRGVWDJX-ZDUSSCGKSA-N 2 1 358.446 0.904 20 0 FCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001628812527 1290556593 /nfs/dbraw/zinc/55/65/93/1290556593.db2.gz LQLQEQURRQSDJP-IRXDYDNUSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001628812527 1290556599 /nfs/dbraw/zinc/55/65/99/1290556599.db2.gz LQLQEQURRQSDJP-IRXDYDNUSA-N 2 1 366.506 0.794 20 0 FCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001628812527 1290556603 /nfs/dbraw/zinc/55/66/03/1290556603.db2.gz LQLQEQURRQSDJP-IRXDYDNUSA-N 2 1 366.506 0.794 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741840060 1290562208 /nfs/dbraw/zinc/56/22/08/1290562208.db2.gz FWPWZCSHNGRCKD-RDJZCZTQSA-N 2 1 371.489 0.811 20 0 FCADMP C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001741840060 1290562214 /nfs/dbraw/zinc/56/22/14/1290562214.db2.gz FWPWZCSHNGRCKD-RDJZCZTQSA-N 2 1 371.489 0.811 20 0 FCADMP C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741852134 1290562282 /nfs/dbraw/zinc/56/22/82/1290562282.db2.gz OMDPZXORSXZVQO-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001741852134 1290562286 /nfs/dbraw/zinc/56/22/86/1290562286.db2.gz OMDPZXORSXZVQO-OWCLPIDISA-N 2 1 364.494 0.253 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCO[C@@H](C)C2)C2CC2)CC[N@@H+]1C ZINC001753154802 1290621368 /nfs/dbraw/zinc/62/13/68/1290621368.db2.gz QPXVZLVYNWWTHY-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)N2CCO[C@@H](C)C2)C2CC2)CC[N@H+]1C ZINC001753154802 1290621377 /nfs/dbraw/zinc/62/13/77/1290621377.db2.gz QPXVZLVYNWWTHY-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C2CC2)CC[NH+]1C ZINC001753154802 1290621388 /nfs/dbraw/zinc/62/13/88/1290621388.db2.gz QPXVZLVYNWWTHY-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C2CC2)CC[NH+]1C ZINC001753154802 1290621398 /nfs/dbraw/zinc/62/13/98/1290621398.db2.gz QPXVZLVYNWWTHY-ZMSDIMECSA-N 2 1 366.506 0.155 20 0 FCADMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001753130436 1290622083 /nfs/dbraw/zinc/62/20/83/1290622083.db2.gz WKGPSUNDGVMUDI-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001753130436 1290622094 /nfs/dbraw/zinc/62/20/94/1290622094.db2.gz WKGPSUNDGVMUDI-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP CCNC(=O)NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001753130436 1290622102 /nfs/dbraw/zinc/62/21/02/1290622102.db2.gz WKGPSUNDGVMUDI-QLFBSQMISA-N 2 1 367.494 0.001 20 0 FCADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001653845141 1291372356 /nfs/dbraw/zinc/37/23/56/1291372356.db2.gz JHVYRNLRLQLEAM-SUMDDJOVSA-N 2 1 361.486 0.441 20 0 FCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001654311854 1291406102 /nfs/dbraw/zinc/40/61/02/1291406102.db2.gz BFFKDRIUUKOIST-ZWKOTPCHSA-N 2 1 373.501 0.431 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001656134500 1291498422 /nfs/dbraw/zinc/49/84/22/1291498422.db2.gz COOCIKCFBWMXQG-LVQVYYBASA-N 2 1 352.523 0.973 20 0 FCADMP CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001667627400 1291942003 /nfs/dbraw/zinc/94/20/03/1291942003.db2.gz RWOOVUDIUZFXLM-BZUAXINKSA-N 2 1 361.490 0.830 20 0 FCADMP CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435682 1291965177 /nfs/dbraw/zinc/96/51/77/1291965177.db2.gz OOWMWZJFOAJDDR-RRFJBIMHSA-N 2 1 369.510 0.387 20 0 FCADMP CCN(CC[NH2+][C@@H](C)C(=O)Nc1ncccn1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435616 1291965267 /nfs/dbraw/zinc/96/52/67/1291965267.db2.gz MFTKZFWHPZBWDY-RRFJBIMHSA-N 2 1 362.478 0.582 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC001674099538 1292132637 /nfs/dbraw/zinc/13/26/37/1292132637.db2.gz MCCBHQVZNKAUHX-AWEZNQCLSA-N 2 1 351.495 0.323 20 0 FCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC001674099538 1292132656 /nfs/dbraw/zinc/13/26/56/1292132656.db2.gz MCCBHQVZNKAUHX-AWEZNQCLSA-N 2 1 351.495 0.323 20 0 FCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001689022049 1294572354 /nfs/dbraw/zinc/57/23/54/1294572354.db2.gz QZLKUCWCCPVKQA-JKSUJKDBSA-N 2 1 354.495 0.060 20 0 FCADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cnn(C)c2)co1 ZINC001689034077 1294579319 /nfs/dbraw/zinc/57/93/19/1294579319.db2.gz JYMSYNBHGVFNJD-DLBZAZTESA-N 2 1 360.462 0.752 20 0 FCADMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001689076216 1294597438 /nfs/dbraw/zinc/59/74/38/1294597438.db2.gz SBFQVKHPTAEBTE-NUEKZKHPSA-N 2 1 366.510 0.967 20 0 FCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238819 1294698462 /nfs/dbraw/zinc/69/84/62/1294698462.db2.gz MMFBIGJKIHAGMQ-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238819 1294698467 /nfs/dbraw/zinc/69/84/67/1294698467.db2.gz MMFBIGJKIHAGMQ-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238819 1294698475 /nfs/dbraw/zinc/69/84/75/1294698475.db2.gz MMFBIGJKIHAGMQ-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCOCC4CC4)CC[C@@H]3C2)C1 ZINC001689238819 1294698479 /nfs/dbraw/zinc/69/84/79/1294698479.db2.gz MMFBIGJKIHAGMQ-CEXWTWQISA-N 2 1 365.518 0.914 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC001689349629 1294766382 /nfs/dbraw/zinc/76/63/82/1294766382.db2.gz LGPYLISBTJGLCG-PQUMWKHMSA-N 2 1 350.507 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001689349629 1294766388 /nfs/dbraw/zinc/76/63/88/1294766388.db2.gz LGPYLISBTJGLCG-PQUMWKHMSA-N 2 1 350.507 0.846 20 0 FCADMP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001689349629 1294766390 /nfs/dbraw/zinc/76/63/90/1294766390.db2.gz LGPYLISBTJGLCG-PQUMWKHMSA-N 2 1 350.507 0.846 20 0 FCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001690276919 1294863426 /nfs/dbraw/zinc/86/34/26/1294863426.db2.gz UXEKCFPCOJFDNS-ZQDZILKHSA-N 2 1 360.462 0.382 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1cn(C)nn1 ZINC001690622976 1294877329 /nfs/dbraw/zinc/87/73/29/1294877329.db2.gz CRJCZGYLJQUTBT-OLMNPRSZSA-N 2 1 356.474 0.755 20 0 FCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1cn(C)nn1 ZINC001690622976 1294877338 /nfs/dbraw/zinc/87/73/38/1294877338.db2.gz CRJCZGYLJQUTBT-OLMNPRSZSA-N 2 1 356.474 0.755 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)[C@@H]1C ZINC001691757636 1294918070 /nfs/dbraw/zinc/91/80/70/1294918070.db2.gz QTTNHUYMFQAZPT-PVAVHDDUSA-N 2 1 350.463 0.966 20 0 FCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)[C@@H]1C ZINC001691757636 1294918085 /nfs/dbraw/zinc/91/80/85/1294918085.db2.gz QTTNHUYMFQAZPT-PVAVHDDUSA-N 2 1 350.463 0.966 20 0 FCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164719325 720220185 /nfs/dbraw/zinc/22/01/85/720220185.db2.gz RLZHJSNKIABRHV-HXUWFJFHSA-N 2 1 373.501 0.392 20 0 FCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164719325 720220195 /nfs/dbraw/zinc/22/01/95/720220195.db2.gz RLZHJSNKIABRHV-HXUWFJFHSA-N 2 1 373.501 0.392 20 0 FCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@@H+]3C2)cn1 ZINC001164741516 720609577 /nfs/dbraw/zinc/60/95/77/720609577.db2.gz LIMZNRLFWRFZFL-HUUCEWRRSA-N 2 1 367.457 0.297 20 0 FCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164742294 720643061 /nfs/dbraw/zinc/64/30/61/720643061.db2.gz MOVQJLKBECFHLX-CABCVRRESA-N 2 1 353.430 0.254 20 0 FCADMP